smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCN(C(=O)c1cc(C)cc(C)c1)c1nnc(Cn2nnc3ccccc32)s1 1341060 YOYSIOIFJNNLTP-UHFFFAOYSA-N 392.488 3.615 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 1808015 MQWMYKASLJXKDN-UHFFFAOYSA-N 395.411 3.686 0 40 GHAB CC(C)Cn1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 2434241 BFMDQRCRTMVWDL-UHFFFAOYSA-N 398.463 3.795 0 40 GHAB CCc1cc2c(SCC(=O)NC(=O)c3ccc(Cl)cc3)ncnc2s1 2627419 WKGKVBGPXHTKBL-UHFFFAOYSA-N 391.905 3.956 0 40 GHAB COC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 3168229 NEWOJBJKXMLHBD-QMMMGPOBSA-N 391.107 3.679 0 40 GHAB COc1ccc(CNC(=O)COC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 3279339 RJEAHIXUMVCSNU-WEVVVXLNSA-N 394.254 3.875 0 40 GHAB O=C(COC(=O)c1ccc(OC(F)F)cc1)Nc1ncc(Cl)cc1Cl 3495371 QYFUAWNBSDCZGR-UHFFFAOYSA-N 391.157 3.785 0 40 GHAB O=[N+]([O-])/C(Br)=C/c1cccc(/C=C(\Br)[N+](=O)[O-])c1 3845193 AZJDGZSBEGMSHC-NXZHAISVSA-N 377.976 3.627 0 40 GHAB CCCn1cc(S(=O)(=O)c2ccc(OCC)cc2)c(=O)c2cc(C)ccc21 4193387 VMFLKWFABLSNDE-UHFFFAOYSA-N 385.485 3.951 0 40 GHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)C2(CCCCC2)[C@H](C(N)=O)C(=S)N1 4304054 FALPMKIMEMJFAT-OAHLLOKOSA-N 391.924 3.535 0 40 GHAB Cc1ccccc1OCc1nn2c([C@H]3COc4ccccc4O3)nnc2s1 4384009 HSYQSTFLUAQHKY-MRXNPFEDSA-N 380.429 3.586 0 40 GHAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)NCc1ccccc1 4935589 AJHDPSUUNUDCGJ-HNNXBMFYSA-N 378.501 3.942 0 40 GHAB O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3cccs3)ccc21 5099602 FCIGWHAAHQIDME-UHFFFAOYSA-N 388.470 3.735 0 40 GHAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)NC[C@H]1CCCO1 5288198 BGUAAGFRVUOJFM-CYBMUJFWSA-N 385.514 3.746 0 40 GHAB Cc1ccc(C)c(-c2csc(NC(=O)Cn3cnc4ccccc4c3=O)n2)c1 5615848 OPRKBLODGKRETA-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB COc1ccccc1-c1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n1C 5692063 IFOCDZJQGILGJL-GFCCVEGCSA-N 393.472 3.581 0 40 GHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2C)CC1 6349571 IYYXAPIOKHQROA-UHFFFAOYSA-N 385.895 3.959 0 40 GHAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NC[C@@H]1CCCO1 6590385 HRFLNUGXLBRJMB-SFHVURJKSA-N 380.444 3.932 0 40 GHAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2OCC)C(C)C)cc1 6628321 WFCKRNYEDSXPBF-FQEVSTJZSA-N 384.476 3.877 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2CC)C1 6754342 FZAVLWKVHFQTNH-AWEZNQCLSA-N 389.883 3.503 0 40 GHAB Cc1c(-c2nsc(NC(=O)c3ccccc3)n2)nnn1-c1ccc(F)cc1F 6914371 XWPLGCZRAKKQAX-UHFFFAOYSA-N 398.398 3.625 0 40 GHAB CCCNc1c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)oc2ccccc12 6917541 WGMKFPRKGZOFHL-UHFFFAOYSA-N 382.416 3.884 0 40 GHAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(C(F)(F)F)cc1 7063895 JAWAYZGTKRUCPJ-UHFFFAOYSA-N 378.350 3.850 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)COc2ccc3ccccc3c2)CC1 7268470 XCKAPUGSAOQACU-UHFFFAOYSA-N 389.499 3.999 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccc(Br)c1 7406357 FNNDUOWODLAMCU-INIZCTEOSA-N 377.282 3.999 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccs2)cc1OC 7702313 QHUREXQDPQYTSF-IBGZPJMESA-N 389.498 3.833 0 40 GHAB Cc1cc(OCCCC(=O)NCCc2ccc3c(c2)OCCO3)ccc1Cl 7985102 SNTYCYJJUNLIDI-UHFFFAOYSA-N 389.879 3.938 0 40 GHAB O=C(Cc1cn2ccsc2n1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 8013411 GTGCDEKBWKIGRE-UHFFFAOYSA-N 392.488 3.562 0 40 GHAB Cc1ccc(N(CCCC(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1 8049703 SMVGNNFODIROLU-UHFFFAOYSA-N 394.924 3.511 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 8270585 QMPZKGCRFPEAEV-INIZCTEOSA-N 395.484 3.953 0 40 GHAB CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 8338663 VDALSGMQNGOWMB-NRFANRHFSA-N 390.483 3.852 0 40 GHAB O=C1c2ccccc2N[C@@]2(C(=O)Nc3ccc(F)cc32)N1c1ccc(F)cc1 8428559 SZEJMEHAZYOUIE-OAQYLSRUSA-N 377.350 3.842 0 40 GHAB Cc1ccc2c(c1)C1=C(C3=C(N4CCOCC4)CCN(C3)C1=S)C(C)(C)N2 9061347 LMMKVHZGDBSSBC-UHFFFAOYSA-N 381.545 3.586 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 9237262 QWHHKIRZQVNVFH-IRXDYDNUSA-N 399.907 3.946 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N1CCc2sccc2[C@@H]1c1cccs1 9377163 NYOUODQYCGGCKP-LJQANCHMSA-N 396.493 3.892 0 40 GHAB C[C@@H](NC(=O)CSc1nnnn1C1CCCCC1)c1cc2ccccc2o1 9549177 JMGIKBBNEJJEII-CYBMUJFWSA-N 385.493 3.894 0 40 GHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 9906024 PAMZSDWURYAIMB-JKSUJKDBSA-N 383.879 3.781 0 40 GHAB O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 10053611 IUPDAQUTNGJXRP-IAGOWNOFSA-N 391.389 3.939 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)NCc1ccccc1OC(F)F 10370331 FCCMJAZQGZWEQX-UHFFFAOYSA-N 386.402 3.532 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl 10472620 DLNXQRLBVGXBBK-AWEZNQCLSA-N 390.867 3.512 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)Nc1cccc(F)c1 11612890 DYDWJOZKRHCXQJ-QGZVFWFLSA-N 394.443 3.537 0 40 GHAB Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)c1 12136895 ASLVFGFHMJJCND-SFHVURJKSA-N 396.468 3.579 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)cc2n1 12220389 FSOVFEXBQMKOQB-HUUCEWRRSA-N 396.413 3.714 0 40 GHAB O=C(NCc1ccccc1Cl)[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 12321626 SCSUYTPKBTYOPE-SFHVURJKSA-N 395.890 3.990 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=S)SCc2nc(N)nc(Nc3ccccc3)n2)C1 12406205 UGTKQAOGUXSKKV-BETUJISGSA-N 388.566 3.693 0 40 GHAB O=C(COc1ccccc1/C=C1\SC(=O)NC1=O)Nc1ccc(Cl)cc1 12438128 QLVKXDSLQGSFMA-DHDCSXOGSA-N 388.832 3.681 0 40 GHAB CCN1C(=O)N[C@H](c2ccccc2)[C@@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12488321 KSBQVNFVPBLTFR-JJRVBVJISA-N 398.406 3.584 0 40 GHAB CCCCn1c(CCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 12539161 CRNGMYBNESLHJV-UHFFFAOYSA-N 381.476 3.826 0 40 GHAB COc1ccccc1CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12545758 YCDHJMPGOHVAHA-UHFFFAOYSA-N 393.409 3.746 0 40 GHAB C[C@@H](NC(=O)c1ccc(COc2ccccc2)o1)c1ccc(-n2cncn2)cc1 12593496 MTWBZXOCPDBFBN-MRXNPFEDSA-N 388.427 3.930 0 40 GHAB COc1ccc(C)cc1/C=C/C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12767235 TVAQSWYKBNRIGD-XSSIKURBSA-N 378.472 3.894 0 40 GHAB CN(Cc1ccc2ccccc2c1)C(=O)CNC(=O)c1ccc(OC(F)F)cc1 12773103 CRKHURZACANVQZ-UHFFFAOYSA-N 398.409 3.830 0 40 GHAB Cc1ccc(NC(=O)COc2ccc(C(=O)Nn3c(C)ccc3C)cc2)cc1F 12799578 DOPQWSQVGQJIRT-UHFFFAOYSA-N 395.434 3.954 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](NC(=O)C1CCC(C)CC1)C(C)C 12867315 OIXIWDZSEKCHAH-JSRAGOMMSA-N 393.616 3.724 0 40 GHAB CC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NCCc1c[nH]c2ccccc12 12901505 XSGSKQRCZQWZRT-SFHVURJKSA-N 388.471 3.517 0 40 GHAB biogenic CCCn1c(=O)n(CC(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc21 12993645 VCAPUFXZFNOCBM-UHFFFAOYSA-N 391.393 3.548 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(C)c3ccc(N4CCN(C)CC4)cc3C)cc2c1 13565499 SNJJSRJGZZQNRQ-UHFFFAOYSA-N 390.531 3.533 0 40 GHAB COc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccc(C)cc4)CC3=O)c2c1 13944680 RNFIQNVBPUBWTI-KRWDZBQOSA-N 391.471 3.515 0 40 GHAB CCN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cccc(F)c1 14251514 WUVGWSZYPRGHCG-UHFFFAOYSA-N 383.467 3.803 0 40 GHAB O=C1CCCN1c1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 15361267 BMIWZWFYNDWPKA-UHFFFAOYSA-N 385.363 3.600 0 40 GHAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc(-c4cccs4)n3N)o2)cc1 15518693 OQPUZTJHQVWRIQ-NSHDSACASA-N 384.490 3.932 0 40 GHAB COc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OC 16014427 ORQQIWPDMSFKRK-UHFFFAOYSA-N 382.460 3.511 0 40 GHAB NC(=O)CSc1ccccc1C(=O)OCc1cc2ccccc2nc1Cl 16333946 NAUIMHFFKZAOGD-UHFFFAOYSA-N 386.860 3.823 0 40 GHAB O=C1N/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)N1Cc1ccccc1Cl 16449572 QTWAJQOZSOFEJP-XDHOZWIPSA-N 393.830 3.929 0 40 GHAB CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cccc(C)c1 16960170 XHIRKWRPUHFBQA-UHFFFAOYSA-N 378.501 3.955 0 40 GHAB CC(C)(C)c1ccc(-c2nc3nc(O)cc(NC(=O)c4ccco4)n3n2)cc1 18202539 CCLHEJYXQBGCKF-UHFFFAOYSA-N 377.404 3.640 0 40 GHAB Cc1cc2nc(C3CCN(Cc4cnc(C)nc4)CC3)cc(C(F)(F)F)n2n1 19129159 GIZPWPGJDWFRBV-UHFFFAOYSA-N 390.413 3.535 0 40 GHAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1 19293139 JDMTXOVMZMLJOU-CQSZACIVSA-N 397.428 3.602 0 40 GHAB CC(C)c1cc(C(=O)N2CCCC[C@H]2c2nn(C)cc2-c2ccncc2)on1 19452914 ZBPIIORZTGGTBZ-SFHVURJKSA-N 379.464 3.961 0 40 GHAB Cc1noc(CCC(=O)N2CCC[C@@H]2c2ccc(Cc3ccc(F)cc3)cn2)n1 19688510 NXTZAYZBDPNYGI-HXUWFJFHSA-N 394.450 3.799 0 40 GHAB N=C(Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1)N1CCCCC1 19819781 QIQLANZWPARGPL-UHFFFAOYSA-N 377.901 3.548 0 40 GHAB CCCCCn1c(=N)n(C[C@H](O)COc2ccc(OC)cc2)c2ccccc21 20266890 WAGHQEIGIYWMMH-KRWDZBQOSA-N 383.492 3.561 0 40 GHAB CN1C(=O)CC[C@H](C(=O)Nc2ccccc2Br)[C@@H]1c1ccccc1 20734614 CTWAIDRIMYTYKZ-KSSFIOAISA-N 387.277 3.997 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCCOc1ccc(Cl)cc1)(C3)C2 20978395 JGFGKURBLKSBBA-XBLGPDGASA-N 391.895 3.737 0 40 GHAB Cn1cccc1[C@H](CNC(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 21151585 FMBSXUJWHUJQGH-QFIPXVFZSA-N 377.463 3.694 0 40 GHAB COc1ccc2ccccc2c1CNC[C@H]1CN(Cc2ccccc2)CCO1 23819447 KESHAUNAYJBVIN-NRFANRHFSA-N 376.500 3.839 0 40 GHAB CC(C)(C)c1ccc(OCCNC(=O)CCc2ccc3c(c2)OCCO3)cc1 24616413 ITWFMNZVMYOHHJ-UHFFFAOYSA-N 383.488 3.883 0 40 GHAB COCCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1 24879439 XMGUVFHEANJISD-UHFFFAOYSA-N 396.516 3.939 0 40 GHAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)N1CCCCC1 27922333 IJMWCSFDNLYLFK-UHFFFAOYSA-N 394.471 3.655 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)C1 27969854 CZQYPSSFQYZHNQ-OKILXGFUSA-N 376.298 3.812 0 40 GHAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2c[nH]c3ccccc23)n2nnnc2N1 28250603 QRNMLTZQYQIAFW-FQEVSTJZSA-N 399.458 3.699 0 40 GHAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 30521589 QJXJCQFHRSYVSM-CVEARBPZSA-N 386.835 3.920 0 40 GHAB COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(-c3cccc(F)c3)o1)C2 32073317 QCVOPPXIILYHCF-INIZCTEOSA-N 386.404 3.793 0 40 GHAB C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 32854800 DYWYEALJIOIXIJ-OAHLLOKOSA-N 380.444 3.875 0 40 GHAB Cc1cc2n(CC(=O)Nc3cccc(Cl)c3C)c(=O)c3ccccc3n2n1 32909124 NQNMHYWCEACXOX-UHFFFAOYSA-N 380.835 3.558 0 40 GHAB CCOc1ccc(C(=O)CCC(=O)NC[C@@H](O)c2cccc(Cl)c2)cc1 32915243 LRUGQASKPIZIAR-LJQANCHMSA-N 375.852 3.551 0 40 GHAB COc1cc(CNC(=O)CCCc2cccs2)ccc1OC[C@@H]1CCCO1 32930373 LATYQFJUUZPPFY-KRWDZBQOSA-N 389.517 3.954 0 40 GHAB CCCOc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1OCC 33596437 PARAICANIWPBBH-CPNJWEJPSA-N 380.469 3.644 0 40 GHAB CN(C)C(=O)N1N=C(c2cc(F)ccc2F)C[C@]1(CCCN)c1ccccc1 36184686 OHLDJJXRTLZQSU-OAQYLSRUSA-N 386.446 3.691 0 40 GHAB CC(C)c1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)s1 36366113 PKIICTZRRULSJR-UHFFFAOYSA-N 389.408 3.585 0 40 GHAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccc(Cn2ccnc2)cc1 38831771 WSHRFEFYMCLEGN-UHFFFAOYSA-N 388.515 3.847 0 40 GHAB O=C(NCc1cccnc1N1CCOCC1)c1ccc(-c2ccccc2)cc1F 40106563 CCRAOFWKZXXVTO-UHFFFAOYSA-N 391.446 3.654 0 40 GHAB C[C@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(Cl)cc1 40130233 UQFNYMLXNFLRHJ-GXTWGEPZSA-N 379.291 3.877 0 40 GHAB CC(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 40131316 LRAGVWBLEAGVOJ-UHFFFAOYSA-N 375.465 3.813 0 40 GHAB O=C(CCc1nc(Cc2ccccc2)no1)N1CCCc2cc(F)c(F)cc21 40133331 OZCBPSBJGNCAGE-UHFFFAOYSA-N 383.398 3.851 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1 44208626 IHBCPWGSTPYDQO-UHFFFAOYSA-N 391.475 3.900 0 40 GHAB C[C@@H]1CN(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)C[C@@H](C)O1 47585072 PRRUNZHSHRJXRC-VXGBXAGGSA-N 378.366 3.745 0 40 GHAB Cc1cccc(C)c1OC1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 48287545 LQGDFCUUIUFERJ-UHFFFAOYSA-N 383.517 3.725 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN2Cc2cc(=O)oc3cc(C)ccc23)cc1 48363597 WXZATYSMIMXQJE-FQEVSTJZSA-N 392.455 3.713 0 40 GHAB CCOc1c(Cl)cc(CNC(=O)CCc2ccc3c(c2)OCO3)cc1OC 48365229 DOFHTKXRNMJYRL-UHFFFAOYSA-N 391.851 3.725 0 40 GHAB CCC(=O)Nc1ccc(Cn2cnc(C(=O)Nc3ccc(F)c(F)c3)c2)cc1 49422139 IYYMBBNXCOADRG-UHFFFAOYSA-N 384.386 3.810 0 40 GHAB O=C(Oc1ccccc1)N1CCC(CNC(=O)C2(c3ccc(F)cc3)CC2)CC1 49523078 YSCFRIICWNLCPA-UHFFFAOYSA-N 396.462 3.885 0 40 GHAB Cc1c(C(=O)NCc2ccnc(-n3ccnc3C)c2)oc2c1C(=O)CC(C)(C)C2 53398084 QPYKAPJOWCZXEI-UHFFFAOYSA-N 392.459 3.562 0 40 GHAB COc1ccc(-c2nnsc2C(=O)Nc2nc(-c3ccccn3)cs2)cc1 61719985 IDHZJCDUCLYPDS-UHFFFAOYSA-N 395.469 3.985 0 40 GHAB Cc1ccc2nc(NC(=O)[C@@H](C)Cn3nc(-c4ccco4)ccc3=O)sc2c1 61984079 CNRZIASIIZGILD-ZDUSSCGKSA-N 394.456 3.696 0 40 GHAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1cccc(OCC(F)(F)F)c1 65488510 NMGURPJBXHCFFP-GUYCJALGSA-N 378.394 3.995 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1 65963849 DJRZUAXZIKLJRM-GOSISDBHSA-N 399.579 3.587 0 40 GHAB CC(=O)c1cccc(O[C@H](C)C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 68731695 VXRZELAOZRSTGB-VQIMIIECSA-N 387.501 3.926 0 40 GHAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3ccccc3Cl)c2C)c1 71327368 ZBZQPLLRNHIZMI-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 72312732 BHEGETOJMIUVIO-UHFFFAOYSA-N 382.851 3.811 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CN(C)c2nc3c(Cl)cccc3s2)cc1 77196752 LCHFOOTUUJXNSJ-UHFFFAOYSA-N 388.880 3.983 0 40 GHAB CN(c1ccccc1F)S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1 78732697 DPHCCCZHFNDSFC-UHFFFAOYSA-N 378.208 3.656 0 40 GHAB Cc1cc2oc(NC(=O)CCS(=O)(=O)C3CCCC3)nc2c(C)c1Cl 79065710 UVTCEGVULHJUKN-UHFFFAOYSA-N 384.885 3.784 0 40 GHAB CN(C)c1ccc(-c2cncc(C(=O)N3CCN(C)c4ccccc4C3)c2)cc1 79107593 RUEGRNWBIFTVBT-UHFFFAOYSA-N 386.499 3.907 0 40 GHAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1C1=Cc2ccccc2OC1 79190462 NNAHMLLQXGJSHP-RXVVDRJESA-N 390.391 3.677 0 40 GHAB biogenic Cc1ccc(C)n1CC(=O)OCc1nc(N)c2c3c(sc2n1)CCCCC3 84191318 QMTYPBVKINSZRL-UHFFFAOYSA-N 384.505 3.704 0 40 GHAB Cc1ccccc1C(=O)N1C[C@H](C(=O)Nc2ccccc2)C2(CCOCC2)C1 96078690 BVOJSHXKHDNSTA-HXUWFJFHSA-N 378.472 3.503 0 40 GHAB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2cccs2)CCO1 96117907 OTUPUQZPPFEBOK-YGRLFVJLSA-N 379.507 3.555 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc4c(c3)OCC4)nnc12 100478870 GYTOKPMXHATETN-QKKBWIMNSA-N 381.501 3.956 0 40 GHAB CC(=O)c1ccccc1N/C=C\c1nnnn1-c1ccc(Br)cc1 100662153 HKBKGWXFCUJTPC-KHPPLWFESA-N 384.237 3.710 0 40 GHAB Cn1cnnc1-c1ccc(NC(=O)c2cc3ccccc3nc2N2CCCC2)cc1 102720462 UZOFGODISHSCLB-UHFFFAOYSA-N 398.470 3.883 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)C1 105378821 XQDHJGCDKQBSMO-AXUDRJAESA-N 389.536 3.576 0 40 GHAB biogenic C[C@@H](NS(=O)(=O)c1ccc(NC(C)(C)C)c(C(=O)O)c1)c1ccccc1 217608273 BCFKGQXLRGWZPP-CYBMUJFWSA-N 376.478 3.635 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 223594091 VDHUGHCNOHPIOG-GOSISDBHSA-N 384.545 3.949 0 40 GHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223862280 VJKXRDHMBWBMOB-CVEARBPZSA-N 397.496 3.888 0 40 GHAB O=C(Nc1cccc(Br)c1)c1ccnc(O[C@@H]2CCSC2)c1 225720177 FHPXENNUUGIJLQ-CQSZACIVSA-N 379.279 3.981 0 40 GHAB Cc1cccnc1C(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2 257213930 CJTJNMKZSAFQMF-QIQSYULWSA-N 375.516 3.746 0 40 GHAB Cc1ncc(-c2cncc(C[C@H]3CCCN(C(=O)C4CCCCC4)C3)n2)n1C 257241989 IANZBJDTWWHPRY-QGZVFWFLSA-N 381.524 3.547 0 40 GHAB Cc1nc(C2CCN(C(C)C)CC2)cc(N2C(=O)OC[C@@H]2Cc2ccccc2)n1 257311460 UJOBBABCGPYLSE-FQEVSTJZSA-N 394.519 3.941 0 40 GHAB CCCn1nnc(=NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)[nH]1 408629010 HVKQPXDFEHOMOT-VMPITWQZSA-N 392.246 3.724 0 40 GHAB O=C(O)c1ccc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(F)c1 565107357 XRBGDSYRVANGMB-QGZVFWFLSA-N 381.350 3.699 0 40 GHAB CCn1c(CN(C)[C@@H]2CCCN(c3ccccc3)C2)nc2cc(C(=O)O)ccc21 571768976 NMSRKHLALJXMMR-LJQANCHMSA-N 392.503 3.855 0 40 GHAB C[C@@H](Cc1csc2ccccc12)NS(=O)(=O)c1ccc(-n2cccn2)cc1 575622561 ZVOCBIZIBHJVIG-HNNXBMFYSA-N 397.525 3.997 0 40 GHAB CC1(C)CCN(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[S@]1=O 581768528 NDNVHRNYHBNMCO-AREMUKBSSA-N 395.525 3.638 0 40 GHAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)NC1CCCCCC1 585111504 CGSZNRANXVWCPX-FQEVSTJZSA-N 382.508 3.567 0 40 GHAB Cc1ncc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)o1 628256724 JPALRBJSOPHXAP-ZDUSSCGKSA-N 379.176 3.588 0 40 GHAB NC(=O)[C@H]1CCN(C(=O)CCc2ccccc2C(F)(F)F)c2ccccc21 632168090 FKNXILJUGMYJDD-HNNXBMFYSA-N 376.378 3.644 0 40 GHAB Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)ccc1N(C)S(=O)(=O)c1ccccc1 1073608035 CICCMDPHQZRGEJ-ABSDTBQOSA-N 398.528 3.739 0 40 GHAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccc(C(=O)NC)c(Cl)c1 1565524293 HVVGHCFUDJVEAG-UHFFFAOYSA-N 388.880 3.762 0 40 GHAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2ccc3c(c2)CCC(C)(C)O3)C1 1616042609 JHWUCMDZLJSIKN-CEXWTWQISA-N 387.524 3.554 0 40 GHAB CCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(OC)cc2)cc1 783931 XHSMJNMTWYDHDH-LJQANCHMSA-N 392.377 3.867 0 40 GHAB COc1ccc(CNC(=O)c2sc3nc4ccc(OC)cc4cc3c2N)cc1 915366 QFCJHGPOCYGQPV-UHFFFAOYSA-N 393.468 3.979 0 40 GHAB Cc1cccc(OCc2nnc(S[C@H](C)C(=O)O)n2Cc2ccccc2)c1 916262 PNGGBTPXXPDZQD-OAHLLOKOSA-N 383.473 3.779 0 40 GHAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccccc1N1CCOCC1 7842631 AKADTEAXFMQAIN-UHFFFAOYSA-N 379.485 3.828 0 40 GHAB COc1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 1359822 WZIOHWYXWURNGB-HNNXBMFYSA-N 381.407 3.904 0 40 GHAB Cc1ccc2cc(CN(CCO)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1C 1378320 GBVLRKSIWFEVNG-UHFFFAOYSA-N 399.878 3.825 0 40 GHAB O=C(NCC(=O)N(C(=S)Nc1ccccc1)c1ccccc1)c1ccccc1 1679130 ZFBFYMFWXGZYEE-UHFFFAOYSA-N 389.480 3.847 0 40 GHAB Cc1ccc(OCc2nc(C(=O)N3CC(=O)Nc4ccccc43)cs2)cc1 16228939 ROMIQFSHAFSYCV-UHFFFAOYSA-N 379.441 3.629 0 40 GHAB O=C1c2ccccc2C(=O)N1CCOc1ncnc2c(Cl)cc(Cl)cc12 3620893 PAHBHZFCKAGOKZ-UHFFFAOYSA-N 388.210 3.612 0 40 GHAB COc1ccc(OCCCCn2c(CN(C)C(C)=O)nc3ccccc32)cc1 31903383 UDAHNWIFUFDELY-UHFFFAOYSA-N 381.476 3.882 0 40 GHAB Cc1ccc(Cn2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccc(F)cc32)cc1 32073028 CERCQXMREXMPSY-OAQYLSRUSA-N 376.391 3.609 0 40 GHAB O=C(NC(=S)Nc1cc(Cl)ccc1O)c1cccc(Br)c1 6511573 KGJIMOHXZUUUBR-UHFFFAOYSA-N 385.670 3.935 0 40 GHAB S=C1N[C@@H](c2ccc(Cl)cc2)N2C(=S)N[C@@H](c3ccc(Cl)cc3)N12 6512649 CDSHLCXOUSAOLQ-ZIAGYGMSSA-N 395.340 3.986 0 40 GHAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)c1 6680760 UQNCFRONNDGGER-UHFFFAOYSA-N 378.519 3.874 0 40 GHAB CC(=O)N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1ccccc1 2493402 KRNGXEAFNFOEHK-UHFFFAOYSA-N 399.449 3.750 0 40 GHAB CCc1ccc(NC(=O)Cc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 7845840 DJABJIJPTBTVEF-UHFFFAOYSA-N 393.468 3.885 0 40 GHAB Fc1ccc(-c2cc3ncnc(N4CCN(c5ncccn5)CC4)c3s2)cc1 7986765 BALYKKJCVCBKLF-UHFFFAOYSA-N 392.463 3.614 0 40 GHAB O=C(CSc1ncnc2c1cnn2Cc1ccccc1)Nc1cccc(F)c1 2448468 QYSQTDGCKSRDOC-UHFFFAOYSA-N 393.447 3.745 0 40 GHAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCC[C@@H](C)C3)c2C1 8008067 KGIIXDUTNFXNPC-HZPDHXFCSA-N 380.488 3.775 0 40 GHAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(C)c1 8369046 SCPHUHVVGRGVOK-UHFFFAOYSA-N 388.533 3.952 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 10449795 VSYANWVCZNWCEF-INIZCTEOSA-N 394.496 3.584 0 40 GHAB CN1c2ccccc2C(O)=C(C(=S)Nc2ccc(F)c(Cl)c2)S1(=O)=O 100819885 LXMFPEBNMMSROW-UHFFFAOYSA-N 398.868 3.925 0 40 GHAB COc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCC2)cc1 21805486 NHKOGLLAIKBLEF-SFHVURJKSA-N 397.500 3.979 0 40 GHAB CSc1ccc(-c2csc(NC(=O)c3ccc(CNC(N)=O)cc3)n2)cc1 29300002 JGKJQOWCSGLCCV-UHFFFAOYSA-N 398.513 3.953 0 40 GHAB CC(C)(C)c1cn2nc(N3CCC(c4nnc5ccccn45)CC3)sc2n1 29587920 KVIGOROMQNBRBY-UHFFFAOYSA-N 381.509 3.515 0 40 GHAB NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1c1ncnc2scc(-c3ccccc3)c12 58161447 WDBLGKMKELIUNG-HYVNUMGLSA-N 378.501 3.981 0 40 GHAB COc1ccc2c(O)c(C(=O)N3CCO[C@@H](c4ccccc4Cl)C3)cnc2c1 103525711 JYOCWWZRQRLXFX-LJQANCHMSA-N 398.846 3.816 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@@H]1c1cccc(F)c1 59227883 BCHQXCOFHQBVJK-QGZVFWFLSA-N 384.798 3.670 0 40 GHAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Br)cc32)c(C)c1 990111 JXXORLBRLRDCCX-LJQANCHMSA-N 388.261 3.503 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)C(C)(C)Oc2ccc(F)cc2)CC1 23229072 YCKTWWXODLZZJA-UHFFFAOYSA-N 385.483 3.764 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccn2)CC1 23409580 LIFROTIISWOORL-CYBMUJFWSA-N 379.291 3.538 0 40 GHAB O=c1cc(-c2ccccc2Cl)[nH]c2[nH]n(-c3nc4ccccc4s3)c(=O)c12 10152717 ZPMCMZCMBITIRA-UHFFFAOYSA-N 394.843 3.937 0 40 GHAB C[C@H]1c2ccsc2CCN1C(=O)NCCC(=O)N1CCCc2ccccc21 47153622 MAEURIXHFOCXTE-HNNXBMFYSA-N 383.517 3.746 0 40 GHAB CCc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1 24634243 QIWFPHTZFCRCMM-UHFFFAOYSA-N 388.533 3.552 0 40 GHAB CCOc1ccccc1-c1nnc(SCc2nc3ccccc3c(=O)[nH]2)o1 24353924 ONRMULXJVFHJBR-UHFFFAOYSA-N 380.429 3.664 0 40 GHAB CC1CCN(CCNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 47672128 PLXUKWLJPFLWGS-UHFFFAOYSA-N 383.467 3.540 0 40 GHAB Cc1ccccc1C1(CNC(=O)c2cncn2-c2ccccc2)CCOCC1 56364885 XLEYUARSFCZPPQ-UHFFFAOYSA-N 375.472 3.659 0 40 GHAB Cc1cc(CS(=O)(=O)c2nc(C)c(C)n2[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)on1 107342081 BOLGUMXMXLLPST-NBOOPKSLSA-N 377.510 3.767 0 40 GHAB C[S@](=O)c1ccc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 56460898 VUNXKMYROBVJFX-MUUNZHRXSA-N 399.512 3.785 0 40 GHAB CN1CCN(c2ccc(NC(=O)CSCc3ccccc3Cl)cc2)CC1 26792815 NXYAINAAJSDHOX-UHFFFAOYSA-N 389.952 3.964 0 40 GHAB CC(C)[C@@H]1C[C@@H](NC(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)CCO1 108160409 QVYHYRIHPQTAAC-LNLFQRSKSA-N 386.517 3.539 0 40 GHAB Cc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1 57486642 YMTAFHUZYDRQGP-UHFFFAOYSA-N 390.418 3.969 0 40 GHAB O=C(O)COc1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 8215220 BPDDYJIWLJYZEY-UHFFFAOYSA-N 396.424 3.716 0 40 GHAB COc1ccccc1CCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 8226311 AJBYQXWEQFUHIE-UHFFFAOYSA-N 378.476 3.871 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 113949614 QPJPFEOYYHVUGE-PXNSSMCTSA-N 388.533 3.725 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CN2CCCC2=O)cc1 22868805 MFZQTKAWGPYWEF-UHFFFAOYSA-N 378.350 3.960 0 40 GHAB C[C@H]1C[C@@H](Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)C(=O)O1 8271118 MWVFYJFCPPUQOP-SUMWQHHRSA-N 383.448 3.929 0 40 GHAB Cn1c(SCc2nc(-c3cccnc3)no2)nnc1-c1ccc(Cl)cc1 12753976 CCNQXPBVIDRXSZ-UHFFFAOYSA-N 384.852 3.873 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2)nc2ccccc2c1=O 12780858 PTJALXKJVAFTMB-LLVKDONJSA-N 389.427 3.814 0 40 GHAB CCCc1ccc(C(=O)CCC(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 48314395 HKPAQPJLUJTXOT-UHFFFAOYSA-N 394.515 3.959 0 40 GHAB C[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)c1cccc(F)c1 48381049 QSTHOAZJFDCBGD-JTQLQIEISA-N 399.285 3.599 0 40 GHAB COc1cc(CCNC(=O)NCc2ccccc2Cl)ccc1OC(F)F 12867869 IAUHABNZOWXFCT-UHFFFAOYSA-N 384.810 3.992 0 40 GHAB Cc1cc(OCC(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)ccc1Cl 3487531 GKADWKPDKNFSBD-INIZCTEOSA-N 389.879 3.708 0 40 GHAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(F)cc1 8315643 HCQFQJBEDXQRTL-UHFFFAOYSA-N 396.871 3.906 0 40 GHAB CC(C)CNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 4090151 RRDNGUYWJOUHPR-UHFFFAOYSA-N 399.487 3.536 0 40 GHAB biogenic O=C(Cc1c(F)cccc1Cl)Nc1ccccc1C(=O)NC[C@H]1CCCO1 13842946 VJVMLWSAMVFWMY-CYBMUJFWSA-N 390.842 3.569 0 40 GHAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccc(OC)cc2)CC1=O 6378109 SGROADNCDWXVIW-FUHWJXTLSA-N 380.488 3.878 0 40 GHAB CC(C)CCn1c(=O)c2ccccc2n2c(S[C@@H]3CCCCC3=O)nnc12 5492232 HRFFFVBNZFNMDV-QGZVFWFLSA-N 384.505 3.694 0 40 GHAB CC(C)n1nccc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 6532169 FNVUFDMTWPRWDM-UHFFFAOYSA-N 396.520 3.712 0 40 GHAB CN(C)S(=O)(=O)c1cccc(CSc2nc3ccc(Cl)cc3[nH]2)c1 6510606 HTBPXJVHZIFEMX-UHFFFAOYSA-N 381.910 3.759 0 40 GHAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)/C(=C\c1ccccc1)NC(C)=O 6542051 LNGOGKVGBVJURQ-YIRPMMGJSA-N 394.471 3.859 0 40 GHAB O=C(NCCCN1CCCCC1)C1CCN(c2nc3ccccc3s2)CC1 65947235 GTMBBXQQXXXYQN-UHFFFAOYSA-N 386.565 3.505 0 40 GHAB CC(C)(C)c1ccc(CN(C(=O)c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 8869796 YERFLBHQEQRKOL-FQEVSTJZSA-N 385.529 3.814 0 40 GHAB O=C(Nc1ccc(Br)cc1)N1CCN(c2ccc(F)cc2)CC1 8675037 HWCGBOHOHCUBMR-UHFFFAOYSA-N 378.245 3.942 0 40 GHAB Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4cccnc4C)CC3)n2)cc1 92010581 WQSNTGQEQRMFJN-GOSISDBHSA-N 377.492 3.627 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)cc2)n1 18891666 QVMBBYFGXXCABQ-MRXNPFEDSA-N 377.444 3.751 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CCc1nc2ccccc2s1 4977372 FQAGTOJCRAXOFN-CQSZACIVSA-N 380.469 3.750 0 40 GHAB Cc1cc(OCC(=O)Nc2cccc(-c3nn4cnnc4s3)c2)ccc1Cl 4993443 AZCOERADHYFGAC-UHFFFAOYSA-N 399.863 3.832 0 40 GHAB Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)NCCc1cccnc1 67328627 LZSRGIBWHUPYDW-UHFFFAOYSA-N 391.496 3.839 0 40 GHAB CC1=NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2N1CC(C)C 15867679 XIRIHJPKPKGAMP-HNNXBMFYSA-N 399.516 3.761 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 15870008 PVPBLKGDKKXXKU-UHFFFAOYSA-N 375.780 3.597 0 40 GHAB CCNC(=O)[C@H](C)NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 7645152 STQAJXUOZJDWDK-IFXJQAMLSA-N 390.936 3.803 0 40 GHAB COc1ccccc1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 96012659 CMYKWKKFRVXTNJ-HNNXBMFYSA-N 391.353 3.743 0 40 GHAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc(N(C)C)cc4)no3)CC2=O)cc1C 9320921 MYENXSOCGXVZKT-KRWDZBQOSA-N 376.460 3.940 0 40 GHAB CCc1c(-c2nn3c(Cc4ccccc4)nnc3s2)cnn1-c1ccccn1 19910358 GNSQUVWWLQNALG-UHFFFAOYSA-N 387.472 3.587 0 40 GHAB CC(C)(C)Cc1noc2ncc(C(=O)NCc3ccc4c(c3)OCCO4)cc12 84169941 CZIXMNAPPXWMIZ-UHFFFAOYSA-N 381.432 3.513 0 40 GHAB Cc1ccc(S(=O)(=O)C[C@H](C)N2CCN(c3cc(C)ccc3C)CC2)cc1 72242774 WMTSIPYNKNFZIY-FQEVSTJZSA-N 386.561 3.596 0 40 GHAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 84291125 POGOBYKMRXLZSP-ZDUSSCGKSA-N 392.484 3.543 0 40 GHAB CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2sc(-c3cnn(C)c3)nc2C)C1(C)C 72310271 FXSBTWBHIZKQEX-HZPDHXFCSA-N 390.553 3.908 0 40 GHAB C[C@H](OC(=O)C[C@@H](C)NC(=O)C1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 95468930 FIOKYDCEBMZPJI-LVCYWYKZSA-N 386.536 3.525 0 40 GHAB Cc1cnc([C@H](C)N2CCCN(C(=O)c3ccccc3C(F)(F)F)CC2)o1 95458185 HVCZVHHGTLARMY-AWEZNQCLSA-N 381.398 3.911 0 40 GHAB C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 95451380 XUZSTIPJFWTSRA-AWEZNQCLSA-N 394.441 3.693 0 40 GHAB O=C(CCNC(=O)c1ccc2ccccc2c1)N[C@@H](CCCO)c1ccccc1 95445699 RXDNIHBNRKJDOS-QFIPXVFZSA-N 390.483 3.590 0 40 GHAB CCN(CC)C(=O)CN(C)[C@H](c1ccccc1)c1nc(-c2ccccc2)no1 79023331 NJQWMJPLAPVUPU-HXUWFJFHSA-N 378.476 3.626 0 40 GHAB CC[C@H](C)n1cc(I)c(COCCC(F)(F)F)n1 408717420 ZTOOIISUVDGFCK-QMMMGPOBSA-N 376.160 3.928 0 40 GHAB COc1ccc([C@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4[nH]cc2c34)cc1O 1547204183 LRJRWPACLDARJN-LJQANCHMSA-N 389.411 3.732 0 40 GHAB O=C(NCc1ccccc1)NCC1(Cc2nnc3ccccn23)CCCCC1 524735077 SXJZESCCBSXVIQ-UHFFFAOYSA-N 377.492 3.722 0 40 GHAB Cc1ccc2nc(COc3ccccc3NC(=O)Cc3ccccc3)cc(=O)n2c1 33068137 IKTXUQPYBTVWCD-UHFFFAOYSA-N 399.450 3.763 0 40 GHAB CC(=O)Nc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 32578603 FQZHNOQZQORAJL-UHFFFAOYSA-N 394.431 3.836 0 40 GHAB Cc1ccccc1CN1CCN(c2c(F)cccc2[C@H](O)c2ccccn2)CC1 72340701 KFNCZCUGSSLLHR-DEOSSOPVSA-N 391.490 3.933 0 40 GHAB CC(C)c1nccc(=NCC2(c3cccc(Br)c3)CCOCC2)[nH]1 561828138 JAWQHBMORWDCHT-UHFFFAOYSA-N 390.325 3.945 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O)Nc1ccc(Cl)cc1 210809407 BKYLIUKTMLULOW-OQLLNIDSSA-N 388.832 3.721 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 225839252 JNZYAWPNTJIPJD-FACJCUFPSA-N 396.512 3.832 0 40 GHAB COc1cc(C=O)ccc1OCc1nc(-c2ccc(OC(F)F)cc2)no1 89263000 YKDFATNGARSCQW-UHFFFAOYSA-N 376.315 3.738 0 40 GHAB CC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)CC1 220000345 KRQFUNWSIQBVHR-UHFFFAOYSA-N 398.528 3.700 0 40 GHAB CCOc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(F)cc3)n2)cc1 224665368 SWYPJLFKGGGZOP-UHFFFAOYSA-N 383.423 3.866 0 40 GHAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1 225623426 LLCGBYNXBFITBB-JOCHJYFZSA-N 392.540 3.712 0 40 GHAB COc1cccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 225772098 JYQQPRBWMSVUAF-UHFFFAOYSA-N 385.533 3.655 0 40 GHAB O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N1C[C@@]2(CCCO2)[C@H]1C1CC1 574648301 YGBSUBBLTAGFQX-UTKZUKDTSA-N 398.438 3.928 0 40 GHAB O=C(NCc1ccccn1)Nc1ccc(Br)cc1Br 40098260 SNUQBYJALRNSJW-UHFFFAOYSA-N 385.059 3.928 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCCCN2CCC(C)CC2)c(C)c1 225436994 CQFXWQKOPZRENH-UHFFFAOYSA-N 377.554 3.580 0 40 GHAB Cc1cc(-c2nn3c(-c4cc(Br)ccc4F)nnc3s2)on1 95473321 UZJYSGDDDRAZGD-UHFFFAOYSA-N 380.202 3.718 0 40 GHAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 243383462 MIAHGHPFMGVPFN-UHFFFAOYSA-N 393.679 3.564 0 40 GHAB O=C(Nc1ccc(C(=O)N(Cc2ccccc2)CC2(CO)CC2)s1)C1CC1 585082189 YRAMNXCGIBXKHT-UHFFFAOYSA-N 384.501 3.512 0 40 GHAB Cc1nccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)n1 257277906 NZZCKXNRVKOJER-GOSISDBHSA-N 382.851 3.995 0 40 GHAB O=C(COc1ccccc1Cl)N1CCCC[C@H]1c1nnc(-c2ccccn2)o1 257260295 LCFJYSUAOXTBCX-INIZCTEOSA-N 398.850 3.918 0 40 GHAB C[C@@H](c1ccccc1)[C@H](O)CNS(=O)(=O)c1cc2cc(Cl)ccc2s1 1663308986 NZOSWEFAKRWWEN-BLLLJJGKSA-N 395.933 3.998 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)NC1CCN(c2nc3cccnc3s2)CC1 390827176 FKAFYOYREIXEGJ-UHFFFAOYSA-N 391.500 3.500 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 585289088 DHQVKBZQUUPHGC-GFCCVEGCSA-N 382.386 3.903 0 40 GHAB COc1c(C)cccc1CN1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615118771 DLWNIRBAOKCTNX-XMMPIXPASA-N 394.515 3.792 0 40 GHAB CC(C)C[C](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)CC(=O)O 1560405322 DHMGZDVUCVJXRC-NRFANRHFSA-N 396.463 3.939 0 40 GHAB Cn1nc(-c2cccs2)cc1CNC(=O)c1ccccc1Br 1775966627 QBCCSXJSVWTNTL-UHFFFAOYSA-N 376.279 3.841 0 40 GHAB C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc(-c2ccncc2)n[nH]1 12144628 MGOAXOXDAIMWLK-INIZCTEOSA-N 383.455 3.954 0 40 GHAB COc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3c(c2)CCCC3)CC1 12292615 KPSSUYSJJISTBK-QFIPXVFZSA-N 381.516 3.591 0 40 GHAB O=S(=O)(c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)N1CCCC1 13937758 FJIDYLDNURBIEY-UHFFFAOYSA-N 395.937 3.933 0 40 GHAB CCC(=O)Nc1nnc(SCc2cc(=O)c3cccc(Cl)c3[nH]2)s1 15787075 QFIZOYSXYXGSGN-UHFFFAOYSA-N 380.882 3.674 0 40 GHAB COc1ccc(CNC(=O)[C@@H](OC(=O)c2ccco2)c2ccccc2F)cc1 15935695 BTBWIYZMDVACGA-IBGZPJMESA-N 383.375 3.642 0 40 GHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@@H]1CC12CCC2 19017442 HKOWYDDJZHDPGP-KJJMTIBFSA-N 380.532 3.962 0 40 GHAB COc1cccc(-c2ccc(NC(=O)CCc3c(C)nc(N)nc3C)cc2)c1 19665532 LWJZKIBLURRNEZ-UHFFFAOYSA-N 376.460 3.923 0 40 GHAB COc1ccc(CNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 35316324 XVZDMZPIMKLQSH-UHFFFAOYSA-N 377.322 3.694 0 40 GHAB O=C(COC(=O)c1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2 5061530 GXYAEDCDMKDGPF-UHFFFAOYSA-N 392.293 3.691 0 40 GHAB Cc1noc([C@@H]2CN(C(=O)[C@H](C)Oc3ccccc3F)C[C@@H]2c2ccccc2)n1 238884963 PVZCVHZBUQQPHN-BMGDILEWSA-N 395.434 3.694 0 40 GHAB O=C(CSc1nnc2n1CCN2c1ccccc1)Nc1cccc(Cl)c1 9573941 RTDSEMZOKIHKBF-UHFFFAOYSA-N 385.880 3.814 0 40 GHAB Cc1c(Cl)cccc1C(=O)N1CC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 2055835009 PYOJCEOOGJPUFV-VLIAUNLRSA-N 390.842 3.635 0 40 GHAB O=C(c1ccc(Br)o1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225738323 JXKKDTNDHKFRML-CYBMUJFWSA-N 387.233 3.884 0 40 GHAB O=C(CCCn1cnc2ccccc2c1=O)N1CCSc2ccc(Cl)cc21 40071141 DUMBJJNYFGLHQQ-UHFFFAOYSA-N 399.903 3.969 0 40 GHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCC(C)CC1 904827 HUJWJJYMBWDNMR-UHFFFAOYSA-N 388.537 3.536 0 40 GHAB CCn1cc(C(=O)Nc2ccccc2Br)c(=O)c2ccc(C)nc21 931443 MMQGVQHTYQWLQD-UHFFFAOYSA-N 386.249 3.740 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)cc1 938170 RQHZAIFBXPNOCT-CYBMUJFWSA-N 376.453 3.923 0 40 GHAB Cc1cccc(C2=N/C(=C/c3ccc(I)o3)C(=O)O2)c1 1084900 IUSAIAFDYVFZKA-XYOKQWHBSA-N 379.153 3.537 0 40 GHAB COc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)c(OC)c1 1509631 RXSFYRNZNLQWAC-DHDCSXOGSA-N 388.217 3.811 0 40 GHAB CCOC(=O)N1N=N[C@@H](c2ccccc2)[C@]1(c1ccccc1)N1CCOCC1 1720273 AAOMVLZPTXZACL-PZJWPPBQSA-N 380.448 3.752 0 40 GHAB COc1cc(CCC(=O)n2nc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(OC)c1OC 2139756 CBLRPGQIARSWER-JLTOFOAXSA-N 384.476 3.786 0 40 GHAB biogenic Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)s1 2704450 MTVAFSPULZWYPB-MRXNPFEDSA-N 375.409 3.703 0 40 GHAB CC(=O)c1cccc(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)c1 3561744 NPIFTGGLYIGYBN-UHFFFAOYSA-N 398.418 3.938 0 40 GHAB O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3613286 URJYGQHJDHZOLN-UHFFFAOYSA-N 398.528 3.891 0 40 GHAB Cc1ccc2cc(CCNC(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1C 4032950 XKNJJCKUXKMJOM-UHFFFAOYSA-N 399.288 3.880 0 40 GHAB CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCCc1ccccc1 4066348 WMTYLWZOHUMGHX-OAQYLSRUSA-N 394.471 3.889 0 40 GHAB COc1cccc(NC(=S)N2[C@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)c1 4857405 PYNPBMJFJIZTNT-ALOPSCKCSA-N 389.565 3.940 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)[nH]c(=O)n2C1CCCCC1 5001813 QUIXHGPKBPPCSU-UHFFFAOYSA-N 379.416 3.816 0 40 GHAB O=C(CSc1nnc(NC2CCCCC2)s1)OCC(=O)c1ccccc1 5079240 RZEXIFMMFVXJLG-UHFFFAOYSA-N 391.518 3.801 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2N)c(Br)c1 5118414 ZYTUNGWHNHJNRS-UHFFFAOYSA-N 397.656 3.789 0 40 GHAB Cc1nnc(CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)o1 5356044 YVAGIRBRTAILTK-UHFFFAOYSA-N 378.461 3.930 0 40 GHAB C[C@H]1CCCCN1C(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 6087579 GYACZIBAMRBXMW-ZDUSSCGKSA-N 385.464 3.665 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2C)cc1 6586779 FEBFYWXPEFHTAO-UHFFFAOYSA-N 395.488 3.591 0 40 GHAB CCn1cc(S(=O)(=O)c2cc(C)ccc2C)c(=O)c2cc(F)c(F)cc21 6738917 QMAHHVFMCCCHSR-UHFFFAOYSA-N 377.412 3.749 0 40 GHAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(F)cc1 6744843 QDKBSGNDYAJYMV-OAQYLSRUSA-N 395.434 3.893 0 40 GHAB C[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)C12CC3CC(CC(C3)C1)C2 6789368 ADDXPHLTNFXSIP-OSONQDNFSA-N 375.534 3.566 0 40 GHAB CCc1ccc(C(=O)CN2C(=O)N[C@@](CC)(c3ccc(Cl)cc3)C2=O)cc1 6839354 NLYSGCDGZXXAAR-NRFANRHFSA-N 384.863 3.942 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C 7376112 JGXBOLVPRMTUSZ-UHFFFAOYSA-N 378.332 3.951 0 40 GHAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1N1CCCCC1 7951531 AHTOPPJUQKSECQ-UHFFFAOYSA-N 397.862 3.565 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)CCOc1ccccc1C 7986136 AYGMELRKFDXGBJ-UHFFFAOYSA-N 391.851 3.916 0 40 GHAB COc1ccc(Br)cc1CN1C(=O)NC2(CCCCCC2)C1=O 8273670 RIMNWOKZNZZQTC-UHFFFAOYSA-N 381.270 3.603 0 40 GHAB CCc1ccccc1N1C[C@H](C(=O)N[C@H]2CCSc3ccccc32)CC1=O 8315301 QSIRIWNIUYUMSI-AEFFLSMTSA-N 380.513 3.955 0 40 GHAB CNC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 8943011 ZBGWTVDECWIQGF-UHFFFAOYSA-N 392.434 3.502 0 40 GHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1ccccc1Cl 9659374 OTROMLZLDKRDIA-UHFFFAOYSA-N 375.837 3.501 0 40 GHAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(NC(=O)C2CC2)s1 9796165 NWMKJYCIMHBVLB-UHFFFAOYSA-N 384.379 3.925 0 40 GHAB CC(C)CCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10326240 OECMBRRJRANCHA-INIZCTEOSA-N 386.517 3.602 0 40 GHAB COC(=O)c1c(NC(=O)CSc2nc3ccccc3o2)sc2c1CCC2 10963024 FETNZPAKWURLIV-UHFFFAOYSA-N 388.470 3.895 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NCCC1=CCCCC1 11612596 AYHVIQAHNJQPFV-IBGZPJMESA-N 390.549 3.627 0 40 GHAB O=C1NCCCC12CCN(Cc1ccc(OCc3ccccc3F)cc1)CC2 12227958 QLRVBMNAHBBCCW-UHFFFAOYSA-N 382.479 3.897 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccsc2)c2ccccn2)cc1F 12229355 YMEHOMZZJIBEFE-KRWDZBQOSA-N 392.477 3.553 0 40 GHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nc2ccccc2[nH]1 12547689 XVJKOKDLTWPKKM-AWEZNQCLSA-N 396.516 3.703 0 40 GHAB O=C(CCc1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCOCC1 12734494 OUAFGCMQPNJRRQ-QGZVFWFLSA-N 378.925 3.524 0 40 GHAB O=C(CCn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1cccc(F)c1 12786499 AVAGAPULBXSOJG-UHFFFAOYSA-N 379.317 3.527 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)N2CCCc3cc(OC)ccc32)cc1 12791588 XTXRETBXNBCVTB-NRFANRHFSA-N 380.488 3.820 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 12879190 DGZZIRIMJITLPF-UHFFFAOYSA-N 383.879 3.788 0 40 GHAB CSc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 12917483 STABJFPXRYHSHA-OAHLLOKOSA-N 381.505 3.621 0 40 GHAB O=C(CCn1c(=O)oc2ccccc21)Nc1nc2c(F)cc(F)cc2s1 12986869 VTLHJMWZCNWABN-UHFFFAOYSA-N 375.356 3.511 0 40 GHAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1OC 14291922 ADNKVNHJGSFKNK-UHFFFAOYSA-N 390.505 3.759 0 40 GHAB Cc1nnc(NC(=O)CSc2nc3cc(Cl)c4cccnc4c3o2)s1 15083564 ZZORLFGYRGVYOK-UHFFFAOYSA-N 391.865 3.920 0 40 GHAB COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(OC)cc3)n2)cc1 15881004 SMUWRYNLUZBDFO-UHFFFAOYSA-N 397.456 3.594 0 40 GHAB COc1ccc([C@H](C)NCc2nc3ccccc3c(=O)[nH]2)cc1Br 16694991 VYWAWXOKSVFEKC-NSHDSACASA-N 388.265 3.545 0 40 GHAB O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)Nc1nccs1 16978580 QFIIFJYIGNMVPH-UHFFFAOYSA-N 379.511 3.625 0 40 GHAB COc1cc([C@@H]2NC(=O)c3ccccc3N2C)ccc1OCc1c(C)noc1C 18054148 ICYGNDUCMBQPAI-OAQYLSRUSA-N 393.443 3.757 0 40 GHAB Cc1ccc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)c(Cl)c1 19172385 DPJQOZVRONXAGH-UHFFFAOYSA-N 380.897 3.768 0 40 GHAB O=C(Cc1ccccc1Cl)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 19348108 KZDJBARANWSJKK-OAHLLOKOSA-N 382.851 3.734 0 40 GHAB COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc(C(C)C)cc3)C2)no1 19453220 RGWCWGXMBNHKIY-IBGZPJMESA-N 385.508 3.554 0 40 GHAB CC(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 19454636 XIAHCBGJUWZGPK-HXUWFJFHSA-N 396.926 3.819 0 40 GHAB COc1ccc(C(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2)c(OC)c1 19551934 UTKYNTKCXZGGPZ-IBGZPJMESA-N 392.459 3.856 0 40 GHAB Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(CCc1ccncc1)C(=O)O3 19565715 UNBYSVOAEUOKOP-UHFFFAOYSA-N 385.427 3.681 0 40 GHAB Cc1nn(C)cc1-c1csc(NC(=O)c2cc(-n3cccn3)ccc2Cl)n1 19715190 RIQOBVASGZPNGW-UHFFFAOYSA-N 398.879 3.943 0 40 GHAB CCSc1ccccc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O 20111074 BZVWZAKYWAIDSP-UHFFFAOYSA-N 378.519 3.512 0 40 GHAB CCCCCCN/C(CC)=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 20290335 IOXKESBOFGGKNV-FOCLMDBBSA-N 377.872 3.757 0 40 GHAB O=C1C[C@@H](N2CCc3[nH]c4ccccc4c3C2)C(=O)N1c1ccccc1Cl 20760008 MQFCDPNPOAHRDR-LJQANCHMSA-N 379.847 3.512 0 40 GHAB biogenic C[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12 21510234 DZUPRZLXEDNXRT-CYBMUJFWSA-N 377.375 3.921 0 40 GHAB CSc1ncc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)n1-c1ccc(F)cc1 27225889 DZFFZBYZWAFPDY-UHFFFAOYSA-N 398.463 3.687 0 40 GHAB COC(=O)c1sc2nc(C)nc(N3CCO[C@@H](c4ccccc4)C3)c2c1C 29524607 CELBLMCQPKLCHH-OAHLLOKOSA-N 383.473 3.673 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1C 31505395 IMZNKEKLFKFBJI-GOSISDBHSA-N 376.460 3.673 0 40 GHAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1ccc(Cl)c2cccnc12 31646000 LBRHSCHWGGQAHL-OAQYLSRUSA-N 393.830 3.618 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CCc1ncc(-c2ccccc2F)o1 32879589 SFAVJKJFOJLUEG-OAHLLOKOSA-N 396.418 3.712 0 40 GHAB CCOP(=O)(CCCCCCOCCOCCOCCOC)OCC 39337610 SOWDDAINSPJMQO-UHFFFAOYSA-N 384.450 3.509 0 40 GHAB CCc1noc(C)c1C(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1 39969507 ILNSWAYAMKILFV-UHFFFAOYSA-N 385.445 3.882 0 40 GHAB CC(C)c1ccc(-n2nnnc2S[C@@H](C)c2nnnn2-c2ccccc2)cc1 40127692 ASISPDMGXRRNEU-AWEZNQCLSA-N 392.492 3.615 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1nn(-c2ccccc2)c2c1CCCCC2 40140278 IAFKGDASHLRFBS-UHFFFAOYSA-N 387.443 3.563 0 40 GHAB C[C@@H]1CCCCN1S(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 42745615 RCFDMBUQCVBBKV-CYBMUJFWSA-N 397.928 3.780 0 40 GHAB Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CCOc3ccccc32)CC1 43165236 QVGVNNUQMCLOTI-OAQYLSRUSA-N 379.504 3.782 0 40 GHAB O=C(NCC1(c2ccccc2)CC1)Nc1ccc(S(=O)(=O)C(F)F)cc1 43452992 GLHDUJWFKXNWJP-UHFFFAOYSA-N 380.416 3.536 0 40 GHAB O=C(NCCSC1CCCC1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 44114672 NZFQLGNAEJKCLH-KRWDZBQOSA-N 377.510 3.601 0 40 GHAB CC(=O)c1cccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)c1 44841565 KNIZYAZKRNFDKI-UHFFFAOYSA-N 380.444 3.551 0 40 GHAB CCSc1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 44884927 KPNUEHWWBYRIJS-UHFFFAOYSA-N 392.546 3.820 0 40 GHAB Cc1cc(N2CCSCC2)ccc1NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 50494459 VCTXZJREGOQQTC-MGPUTAFESA-N 384.501 3.715 0 40 GHAB C[C@H](c1nc(C2CC2)no1)S(=O)(=O)Cc1csc(-c2cccs2)n1 55202225 BZDZQHNXVBVBSF-SECBINFHSA-N 381.504 3.808 0 40 GHAB Cc1cc(=O)n(CC(=O)N[C@H]2CCc3ccccc32)c(-c2cccc(Cl)c2)n1 57527017 VZRIZJIBTKJLGV-IBGZPJMESA-N 393.874 3.676 0 40 GHAB CCN(C(=O)c1ccccc1F)c1ccc(S(=O)(=O)C(F)(F)F)cc1 58151144 FKHDVMTWBVOMOM-UHFFFAOYSA-N 375.343 3.786 0 40 GHAB Cc1cccc(C)c1NC(=O)CNc1cccc(C(=O)N2CCSCC2)c1C 58157095 MOLSKTUKTDJCBY-UHFFFAOYSA-N 397.544 3.851 0 40 GHAB Cc1ccc(-c2nnc(SCCc3nc4ccccc4c(=O)[nH]3)o2)cc1C 58314125 UTTKROMJLQQOOU-UHFFFAOYSA-N 378.457 3.925 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCC(c2ccccc2)CC1 58344828 IABHOWGTRKALOU-UHFFFAOYSA-N 388.471 3.703 0 40 GHAB COc1ccc(-c2n[nH]c(NC(=O)c3cccc(C(F)(F)F)c3)n2)c(OC)c1 60200249 MQUWKEGRCJFMFT-UHFFFAOYSA-N 392.337 3.760 0 40 GHAB COc1cccc(NCc2nn(Cc3ccc(Cl)cc3Cl)c(=O)[nH]2)c1 61720681 JVNKUTXEZHHVDC-UHFFFAOYSA-N 379.247 3.547 0 40 GHAB CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl 69653218 BAVGWUFLOHILNX-BXUZGUMPSA-N 389.348 3.899 0 40 GHAB COc1cccc2c(C)c(C(=O)N3CCC(C(=O)c4cccnc4)CC3)[nH]c12 72346674 ACQYGYZMCCKCJY-UHFFFAOYSA-N 377.444 3.615 0 40 GHAB Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)CC(C)C)nc21 72371043 AFZMFLKMWBVYBY-UHFFFAOYSA-N 396.535 3.539 0 40 GHAB COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)n[nH]3)C2)c1 72371183 OWGHQCOLCQKPJX-GOSISDBHSA-N 396.535 3.860 0 40 GHAB Cc1ccccc1C1(CNC(=O)N2CCC[C@@H]2c2cccn2C)CCOCC1 84235234 WTELCXPGMZDQQO-OAQYLSRUSA-N 381.520 3.928 0 40 GHAB C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)NCc1cccc(C(N)=O)c1 84637159 PZRPSKIVPJAHME-LPHOPBHVSA-N 389.540 3.833 0 40 GHAB COCc1nc(N(C)CCn2cccn2)c2c(-c3ccccc3)csc2n1 95957309 ITAVNOJVEFHYIX-UHFFFAOYSA-N 379.489 3.838 0 40 GHAB CN(C)[C@H](CNc1ncnc2scc(-c3ccc(F)cc3)c12)c1cnn(C)c1 95960174 WTCRJLAUHRQCMR-QGZVFWFLSA-N 396.495 3.946 0 40 GHAB COc1ccc2nc(C)cc(C(=O)OCC3CCN(CC(F)(F)F)CC3)c2c1 95982995 HGSFMQUSADLGHT-UHFFFAOYSA-N 396.409 3.983 0 40 GHAB CCCS(=O)(=O)N1Cc2ccccc2C2(CCN(CC3CCCC3)CC2)C1 96242458 AGOKPEQIBNIKLY-UHFFFAOYSA-N 390.593 3.766 0 40 GHAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc4c(c3)OCC4)nnc12 100478864 GYTOKPMXHATETN-SPLOXXLWSA-N 381.501 3.956 0 40 GHAB O=C(/N=c1/c2ccccc2[nH]c(=O)n1CCc1ccccc1)Nc1ccccc1 101114023 NPUXGQXVNOPRSN-QLYXXIJNSA-N 384.439 3.705 0 40 GHAB O=C1[C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 101269360 KIMDOWGJZCSWRO-HIFRSBDPSA-N 394.736 3.651 0 40 GHAB COc1cc(Br)c(CCNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 104690634 RGNCAANBYCWVOY-KCQAQPDRSA-N 396.325 3.951 0 40 GHAB O=C(O)c1ccc(NC2CCCC2)c(S(=O)(=O)NC2CCCCCC2)c1 217450732 OOLPAJRHGPEYDP-UHFFFAOYSA-N 380.510 3.740 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 222800174 OMSJXYVWLOKCBZ-MSOLQXFVSA-N 383.908 3.913 0 40 GHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 222912316 VGZLIOLXGZFGFN-RTWAWAEBSA-N 391.544 3.955 0 40 GHAB Cc1c(Br)cnc(NC(=S)NC(C)(C)C)c1Br 223881288 UJPZGHSVRFHNAC-UHFFFAOYSA-N 381.137 4.000 0 40 GHAB Cc1ccc(OCCNC(=O)COc2ccc(Br)cc2)c(C)c1 224240911 FQZZMCDLPDTEGV-UHFFFAOYSA-N 378.266 3.640 0 40 GHAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1cccc(CN2CCOCC2)c1 224738609 KEGMNUAICBEMRY-LJQANCHMSA-N 396.531 3.726 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(N2CCCC2=O)c1 224997302 GGLSNFQJPJPOQG-UHFFFAOYSA-N 391.471 3.692 0 40 GHAB Cc1ccc(C(=O)N2CCc3ccccc3C2)c(I)c1 225011428 TWAYBTQUJXFRFX-UHFFFAOYSA-N 377.225 3.798 0 40 GHAB COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=O)N(c2ccc(O)cc2)C1=O 256055359 CZGNQBOCHWWZDE-YBEGLDIGSA-N 394.408 3.901 0 40 GHAB Cc1cc(Nc2ccnc(C[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)n2)[nH]n1 257223797 DYXZPOGMMGCLBT-HNNXBMFYSA-N 386.500 3.831 0 40 GHAB CCn1cc(CN2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)c(C)n1 257224316 FBHRJRUAWSKSRM-HSZRJFAPSA-N 394.494 3.910 0 40 GHAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(Cl)c4)OCC[C@@]3(C2)[C@@H]1NC(=O)CCO 257225761 FHRPXKJIEYOADO-DDAMMTDISA-N 377.912 3.721 0 40 GHAB COc1ccccc1C(=O)N1CCC2(CC1)C[C@H](N(C)c1ccccc1)CO2 257268659 MMPKWXQKICDODC-IBGZPJMESA-N 380.488 3.595 0 40 GHAB Cc1cc(Nc2ccnc(C[C@H]3CCCN(C(=O)C4CCCCC4)C3)n2)[nH]n1 257315481 VBOJOAHHBRCGLS-MRXNPFEDSA-N 382.512 3.613 0 40 GHAB CCn1c(COc2ccccc2F)nnc1SCc1ccc(C(=O)O)o1 408550819 FJMBIOBXHYGFCX-UHFFFAOYSA-N 377.397 3.600 0 40 GHAB Oc1nc(CSc2nc(-c3ccncc3)n[nH]2)nc2sc3c(c12)CCCC3 408582995 QMXSEKJYTBLBFA-UHFFFAOYSA-N 396.501 3.748 0 40 GHAB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O 409123434 BTTGIUMLHYEDOX-CXUHLZMHSA-N 387.388 3.526 0 40 GHAB COc1ccc(Nc2cc(NCc3ccc(NC(C)=O)cc3)ncn2)c(OC)c1 511863782 QYHHDZUNWLBCEM-UHFFFAOYSA-N 393.447 3.808 0 40 GHAB Cc1ccc(N2C(=O)CCC2=O)cc1NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 528380854 OOTCHCXDGPOPOJ-QZTJIDSGSA-N 380.419 3.920 0 40 GHAB Fc1cc(N2CC[C@H](NC3CCN(Cc4ccccn4)CC3)C2)ccc1Cl 552577624 AJBWCOWWGLOEON-SFHVURJKSA-N 388.918 3.707 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1 575406757 SCHWVUHPAUGESA-HXUWFJFHSA-N 386.455 3.606 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H](Oc2ncc(F)cn2)C1 575613537 RPVFEJNJNTXVOX-LBPRGKRZSA-N 385.226 3.998 0 40 GHAB Cc1nc(C)c(-c2nc(-c3ccc(OCCN4CCCC4)cc3)no2)nc1C 585084273 WGFAVHGRHNWJCL-UHFFFAOYSA-N 379.464 3.593 0 40 GHAB CC(=O)N1CC[C@H]2[C@H](CCCCN2C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C1 585287075 SHCCPHUKAYLPKT-LWSSLDFYSA-N 384.564 3.798 0 40 GHAB C[C@@H](C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCC(=O)N1 624376515 UCRTTZBFIZEUMC-YGRLFVJLSA-N 397.422 3.606 0 40 GHAB C[Si](C)(C)C1=C[C@@H](NCc2ccccc2)n2c(nc3c(N)ncnc32)S1 675008961 CAIAPCGHEJCDSV-ZDUSSCGKSA-N 382.569 3.564 0 40 GHAB C[C@@H](NC(=O)NC[C@H]1C(C)(C)C1(F)F)c1ccc(N2CCCCC2=O)cc1 852347299 CJAQBGRTGDUXRS-CJNGLKHVSA-N 379.451 3.855 0 40 GHAB Cc1cc(=O)oc2ccn(CCn3ccc4ccc(Br)cc43)c(=O)c12 1547212394 ISIUOUPDQATTSW-UHFFFAOYSA-N 399.244 3.681 0 40 GHAB CCCc1ccc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)o1 1615125096 YTCCHYWCLLNLBC-UHFFFAOYSA-N 386.467 3.769 0 40 GHAB CN(C)c1ccc(-c2nnn(CC(=O)N(c3ccccc3)c3ccccc3)n2)cc1 891661 ZBPNXYFVPMAMPI-UHFFFAOYSA-N 398.470 3.771 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 2524033 QLKNICGNFDYXHI-UHFFFAOYSA-N 380.473 3.884 0 40 GHAB CCc1cc2c(CN3CCc4cc(OC)c(OC)cc4C3)cc(=O)oc2cc1O 25638425 AYMLWBQNIDJVFD-UHFFFAOYSA-N 395.455 3.637 0 40 GHAB CCOc1ccc(CN(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1OC 3584285 MBSSZSQWASKNCV-UHFFFAOYSA-N 382.382 3.582 0 40 GHAB CCOC(=O)C1=C(C)N(C)[C@@]2(SC(C(C)=O)=NN2c2ccc(C)cc2)S1 6810024 QZJWNTSIZDHROO-SFHVURJKSA-N 391.518 3.535 0 40 GHAB CCOc1cc(CNc2nnnn2CC)ccc1OCc1ccccc1Cl 8340035 RJQMWRNYYBRSFB-UHFFFAOYSA-N 387.871 3.936 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2Cl)c1 8777890 AFEPPJWEYXHGIQ-UHFFFAOYSA-N 388.670 3.758 0 40 GHAB COCc1nn2c(O)cc([C@H](C)Cn3nccc3C)nc2c1-c1ccccc1 100775619 DOLYDBCGOPYJEM-CQSZACIVSA-N 377.448 3.557 0 40 GHAB CN(C)C(=O)Sc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2 57785016 CEQKAUAAOFRYSL-UHFFFAOYSA-N 376.503 3.750 0 40 GHAB CC[C@H](NC(=O)CCn1cnc2sccc2c1=O)c1ccc(Cl)cc1 10423956 NCWDEEVUDOMQTQ-HNNXBMFYSA-N 375.881 3.769 0 40 GHAB CO[C@H]1O[C@@H]2CC[C@H]3[C@@H]2[C@@H]2[C@H]4[C@H]5[C@H]([C@@H]6CC[C@H]7O[C@H](OC)[C@](C)([C@@H]5[C@@H]67)[C@@H]43)[C@]12C 104294868 HXAAVHKBTACSRV-JNUPRVGASA-N 386.532 3.546 0 40 GHAB O=C(Cn1c(-c2cccs2)noc1=O)Nc1ccc(-c2ccccc2)cc1 58485485 LEBPGRONTWHPFC-UHFFFAOYSA-N 377.425 3.871 0 40 GHAB Cc1nc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)cc2)sc1C 36358144 FJXUGRKNSUTKPI-UHFFFAOYSA-N 390.468 3.770 0 40 GHAB Cn1ccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1cccc(Cl)c1Cl)C2 100149924 CEBYZSKJADWSBO-GJZGRUSLSA-N 380.319 3.847 0 40 GHAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)c(C)c2)c1=O 51357775 HIOZMUDVZUVNDR-UHFFFAOYSA-N 393.487 3.609 0 40 GHAB COc1cc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc(OC)c1C 3387743 OENCKEHKIWVGKW-UHFFFAOYSA-N 399.487 3.996 0 40 GHAB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 2405192 WNQPVEGSZDFRIL-LJQANCHMSA-N 396.874 3.943 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(C)CCOc1ccccc1C 36877741 XQPURVSOJAECFZ-OAQYLSRUSA-N 378.472 3.796 0 40 GHAB CCOc1ncccc1C(=O)OCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 2630903 FREOTOHWWQMBBH-UHFFFAOYSA-N 397.456 3.708 0 40 GHAB O=C(/C=C/c1cccc(Cl)c1)NC[C@H](c1cccs1)N1CCOCC1 29841002 OMJBFSNTZUCWPG-DKRLNXSXSA-N 376.909 3.604 0 40 GHAB Cc1c(Cl)cccc1N(CCCC(=O)Nc1ccccc1F)S(C)(=O)=O 113965741 WDRARZXDCSQSIJ-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB Cc1nn(C[C@@H](C)c2nc3c4ccccc4ncn3n2)c(C)c1Br 2806450 APBWEADHRDDPPI-SNVBAGLBSA-N 385.269 3.657 0 40 GHAB CCOC(=O)[C@](NC(=O)Nc1cccc(C)n1)(c1ccccc1)C(F)(F)F 12412347 DHFZGHPGLHHCHG-QGZVFWFLSA-N 381.354 3.532 0 40 GHAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)c1Cl 3300795 WQGDHODYLMXUED-UHFFFAOYSA-N 396.226 3.869 0 40 GHAB CCCC(=O)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 20528798 TYVCMXOIFADFIB-NTEUORMPSA-N 377.488 3.787 0 40 GHAB Cc1cccc(CN2CCC(NC(=O)COCc3ccccc3Cl)CC2)c1 48367993 JWBIGDJQVGMVEX-UHFFFAOYSA-N 386.923 3.946 0 40 GHAB CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)s1 48333121 CKSBDUHQUOKQIN-GFCCVEGCSA-N 399.303 3.651 0 40 GHAB CC(=O)Nc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 12801151 WSWRICXTVPUBBK-LBPRGKRZSA-N 389.411 3.770 0 40 GHAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)NC2CC2)cc1 12862318 JWFJRGMHJMVDOF-UHFFFAOYSA-N 385.272 3.686 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1S(=O)(=O)N1CCCCCC1 12810549 HZXIJLMPJIPLPA-QGZVFWFLSA-N 376.522 3.855 0 40 GHAB O[C@H](COc1ccc(Cl)cc1Cl)CN1CCN(c2ccccc2F)CC1 26781564 RKLWAXWITWROOH-HNNXBMFYSA-N 399.293 3.694 0 40 GHAB C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)C1 3430295 RBDRVNZDVBRVSG-INIZCTEOSA-N 393.516 3.680 0 40 GHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cncc(Br)c1 3415193 MWXQEWUZJDQJQY-UHFFFAOYSA-N 380.330 3.763 0 40 GHAB CC(C)[C@@H](NCC(=O)Nc1ccnn1C1CCCC1)c1ccc2c(c1)OCCO2 12995946 GUJGQDOOPWGBLT-JOCHJYFZSA-N 398.507 3.695 0 40 GHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1C 12937079 WZHDQRJHJSWJIT-UHFFFAOYSA-N 388.895 3.501 0 40 GHAB CCCCOc1ccc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc3O2)cc1OC 4163870 IWOYIVRYVLATFW-BTYIYWSLSA-N 385.460 3.832 0 40 GHAB COCCOC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 5024562 WWIXTLCJSJLOJO-UHFFFAOYSA-N 390.443 3.576 0 40 GHAB CCCCCN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 5030221 XOFUXBOCPKRQDS-UHFFFAOYSA-N 382.489 3.793 0 40 GHAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(Cl)nc1Cl 64935081 SSVPLBMZDDCNBE-UHFFFAOYSA-N 388.254 3.528 0 40 GHAB Cc1ccc(OCc2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)cc1 4384012 ZFBVBLNJIQZTBE-INIZCTEOSA-N 380.429 3.586 0 40 GHAB COC(=O)[C@@H](CC(C)C)N[C@@H]1C(C)=C(C)C(=O)N1CCc1ccc(Cl)cc1 13940317 ZMYHLEYCEOMCQH-MOPGFXCFSA-N 392.927 3.565 0 40 GHAB O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1cccc(OC(F)F)c1 5336109 GOTHSTBOBROLPW-UHFFFAOYSA-N 388.292 3.832 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 6404315 AMLQNHPUCWCLQL-UHFFFAOYSA-N 390.480 3.951 0 40 GHAB O=c1oc(-c2ccc(F)cc2)nn1CN1CCC(c2nc3ccccc3o2)CC1 14189787 XWPANDSIKLOMOO-UHFFFAOYSA-N 394.406 3.621 0 40 GHAB O=C(NCc1ccc2c(c1)OCCO2)c1ccc(NC(=O)c2cccs2)cc1 14241670 NBCFPIXSCHRQAU-UHFFFAOYSA-N 394.452 3.702 0 40 GHAB COc1cccc(CNC(=O)CCCC(=O)Nc2ccc(N3CCCC3)cc2)c1 4702649 RDSURSODDFMXTB-UHFFFAOYSA-N 395.503 3.721 0 40 GHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1 5637554 CMRVXONGZUAYED-JTQLQIEISA-N 385.176 3.836 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1C)S2 6811779 MDXXYKRMPAUDMS-ROUUACIJSA-N 379.489 3.547 0 40 GHAB COCCCNC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 15437770 QEOLZWUZSBHKFU-ZHACJKMWSA-N 381.501 3.826 0 40 GHAB Cc1cc(C)cc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c1 8118084 JTODRMKNCUKIAM-FQEVSTJZSA-N 383.879 3.975 0 40 GHAB CCCCCSc1nc2ccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cc2s1 72295401 LDIMDKRPILUVIU-GFCCVEGCSA-N 398.575 3.952 0 40 GHAB COc1ccccc1-c1c(C)nn2c(O)cc(CSc3nccc(C)n3)nc12 18077440 YXXODLMUAZYXPV-UHFFFAOYSA-N 393.472 3.810 0 40 GHAB CC(C)c1ccc(CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 23227775 QNQFRLJMUBTNIU-UHFFFAOYSA-N 394.515 3.816 0 40 GHAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cccc2nsnc12 19077991 WXQXJHDYBIIKSN-UHFFFAOYSA-N 394.456 3.677 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 9237261 QWHHKIRZQVNVFH-SJORKVTESA-N 399.907 3.946 0 40 GHAB COC(=O)c1sc(NC(=O)C[C@@H]2CSCCS2)nc1C1CCCC1 96013942 ATYQSFOVEZYOGC-LLVKDONJSA-N 386.564 3.765 0 40 GHAB O=C1[C@@H](NC2CCN(Cc3cccc(F)c3)CC2)CCCN1c1ccccc1F 95983740 TWJCAKBHWNQTTF-NRFANRHFSA-N 399.485 3.714 0 40 GHAB O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)[nH]n2)C1 555884612 CAXMBIFOTBDTHH-GOSISDBHSA-N 391.446 3.875 0 40 GHAB COC(=O)/C=C/c1ccc(OC(=O)CCCOc2cccc(C)c2)c(OC)c1 29621283 YWDFXOVCOJTRKR-ZRDIBKRKSA-N 384.428 3.954 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 22330832 ULAYOSXJGXZNKU-OAHLLOKOSA-N 394.924 3.600 0 40 GHAB Cc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1C(=O)N1CCCC1 408598168 XONYFPWRDZRXAU-UHFFFAOYSA-N 378.538 3.622 0 40 GHAB COCCN1CCCc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc21 35588284 BWOBZMSHHYEIRW-UHFFFAOYSA-N 394.924 3.681 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)c3sc4nc(C)nc(C)c4c3C)ccc21 36717468 ZKTRJSSVDZTQMN-UHFFFAOYSA-N 380.473 3.778 0 40 GHAB O[C@@H](Cc1ccc(C(F)(F)F)cc1)CN1CC[C@H](n2ncc3ccccc32)C1 510407831 ULUWBEDNHULEFD-OALUTQOASA-N 389.421 3.906 0 40 GHAB CC1(C)CN(C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)[C@@H]1c1cccnc1 515426026 RWOLYHWBUHGRQS-QGZVFWFLSA-N 399.882 3.880 0 40 GHAB Cn1cc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c(-c2cc(F)ccc2F)n1 1537371249 AIDKGCUHZAPGMH-UHFFFAOYSA-N 396.397 3.892 0 40 GHAB C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)[C@@H](C)CN1Cc1ccco1 72324258 OHWSKPHQBZTGDS-GJZGRUSLSA-N 382.439 3.544 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2Br)cc1 72211620 RUKVNLYIUSJTDK-OAHLLOKOSA-N 381.295 3.678 0 40 GHAB CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2Cl)c1C 71326995 LQYAZARIVJQRDT-UHFFFAOYSA-N 397.866 3.693 0 40 GHAB O=C(c1cccc(N2C(=O)CCC2=O)c1)N1CCC(CCc2ccccc2)CC1 32865108 HWZHVZHBAIVBTJ-UHFFFAOYSA-N 390.483 3.825 0 40 GHAB CCN(CC)C(=O)CN1CCC[C@H](c2ccc(Nc3ncccc3C)cn2)C1 72353264 NNIDNCGOWCWSTK-SFHVURJKSA-N 381.524 3.576 0 40 GHAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1oc2ccccc2c1C 72324255 AREXIDSTFLKNIX-INIZCTEOSA-N 375.428 3.660 0 40 GHAB C[C@@H](NC(=O)CNC(=O)c1ccccc1F)C(c1ccccc1)c1ccccc1 31382314 TWUWCNJYHUCPPS-QGZVFWFLSA-N 390.458 3.892 0 40 GHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CN1CCN(c3ccc(F)cc3)CC1)C2 35052919 PCYLJSIICAVAJD-TUUKDFBESA-N 390.543 3.540 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@@H]2CCN(C(=O)c3oc(C)nc3C)C2)n1 72384114 JESBUIRLSDPLRE-MRXNPFEDSA-N 378.432 3.812 0 40 GHAB CCOc1cc(CNC(=S)Nc2cccc(C(=O)OC)c2C)ccc1OC 225770735 ZCODILZWVNOWDZ-UHFFFAOYSA-N 388.489 3.676 0 40 GHAB O=C(O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224941240 XIDOMJDHMUWNMD-UHFFFAOYSA-N 396.198 3.552 0 40 GHAB COc1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 222788587 QESSXUNETJNZIR-UHFFFAOYSA-N 390.439 3.643 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 224745425 LTZVHLUTDMBFQZ-GFCCVEGCSA-N 380.897 3.765 0 40 GHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 225677693 PBNFTTAMZCLMTN-GOSISDBHSA-N 384.495 3.948 0 40 GHAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3sc4c(c3C(N)=O)CCCCC4)C(=O)[C@H]12 222486412 HDCVDXPMWRFFCF-PYTWLRIVSA-N 398.528 3.598 0 40 GHAB COc1cc(C(=O)Nc2cc(N)ccc2N2CCCCC2)cc(OC)c1OC 226255339 CDHZQOZVHLJXQT-UHFFFAOYSA-N 385.464 3.537 0 40 GHAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc(-c2ccccc2)no1 68928586 DQQAZBXUCCGBBT-AWEZNQCLSA-N 383.398 3.876 0 40 GHAB CCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCCC2)n1 225885195 VJZCTJOZYADJCW-UHFFFAOYSA-N 376.574 3.544 0 40 GHAB COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(SC)cc3)s2)cc1 225017336 QYSJBYDRHITHNQ-UHFFFAOYSA-N 393.515 3.736 0 40 GHAB CCN(c1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1)S(C)(=O)=O 223448442 GOZRCWHREWZBEF-KRWDZBQOSA-N 388.533 3.889 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 224775136 BMVRZJIRLOTDGH-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB Cc1cccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)c1 224140437 SATXTGZTXKRWRN-HXUWFJFHSA-N 396.531 3.872 0 40 GHAB COC(=O)c1cc(NC(=S)NCCOc2ccc(C)cc2)ccc1Cl 225562563 FVESFKHAKLPLSS-UHFFFAOYSA-N 378.881 3.800 0 40 GHAB Cc1ccc2c(n1)N(C)[C@H](c1ccc(NC(=O)C[C@@H]3C=CCC3)cc1)NC2=O 248339841 UDKBFCIPEVDKHM-FOIQADDNSA-N 376.460 3.563 0 40 GHAB COc1ccc2cc(C(=O)N3CC[C@H](c4noc(-c5cccs5)n4)C3)[nH]c2c1 253406956 VISQTXFGQSBQAN-ZDUSSCGKSA-N 394.456 3.918 0 40 GHAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 257227356 FOXRSGULVKHJRL-IBGZPJMESA-N 385.533 3.577 0 40 GHAB C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 613838157 WKLORKLFLMTHHY-OFDXLYGISA-N 392.580 3.565 0 40 GHAB C=CC(=O)N1CCC(C(=O)Nc2ccc(C(C)C)nc2)(c2ccccc2)CC1 1635499839 DOQMOGXRUWKPRY-UHFFFAOYSA-N 377.488 3.890 0 40 GHAB O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1CCCN(Cc2ccccc2)C1 57152996 RMALHTRSFYJERQ-IBGZPJMESA-N 376.504 3.524 0 40 GHAB CCCn1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)ccc1=O 57144211 QVMZULMKWUAOFN-UHFFFAOYSA-N 382.439 3.959 0 40 GHAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccncc2)no1 5305742 ODWUYUVZRTTXSR-LJQANCHMSA-N 387.395 3.851 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCCO4)o2)c1 5867029 GXYVILDXUSIZPX-UHFFFAOYSA-N 397.456 3.937 0 40 GHAB O=C(CNc1ccc(Cl)c(Cl)c1)Nc1cccc(C(=O)NC2CC2)c1 11549269 YZFZXGUWJFRAHM-UHFFFAOYSA-N 378.259 3.936 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccccc3Cl)no2)cc1 13494839 HGKRGYNAYXLMGX-GFCCVEGCSA-N 377.853 3.738 0 40 GHAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC[C@H](O)C4)cc3)cc12 13563061 LRRYKQISDRHQSB-FQEVSTJZSA-N 377.488 3.718 0 40 GHAB COC(=O)c1c(SCC(=O)Nc2ccc(C)cc2C)[nH]c2ccccc2c1=O 15731478 YMKBMIJVDJAJEO-UHFFFAOYSA-N 396.468 3.662 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccc3c(c2)OCO3)cc1C 19214248 AGWFSWIBPLKVTI-INIZCTEOSA-N 393.443 3.683 0 40 GHAB COc1ccc(CC(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)cc1 19554284 ZEZRKFGFWZGNCJ-NRFANRHFSA-N 380.419 3.525 0 40 GHAB Cc1cc(C)cc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 165724814 XCLDXKHMTHGSDI-SNHGZMDHSA-N 386.451 3.867 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(NC(=O)C3CCC3)s2)c1C 35316114 NHDHIZNQRXTBHA-UHFFFAOYSA-N 376.507 3.624 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CSc1ccc(F)c(F)c1)CC2 5231486 FQWWBOLQKSCJAB-UHFFFAOYSA-N 379.428 3.659 0 40 GHAB COc1cc(C)c(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1OC 9053211 BJXOKLZILQXBPA-NVXWUHKLSA-N 382.460 3.560 0 40 GHAB COc1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 6316872 FRBGBDJAQZVXRJ-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB C[C@]1(C(=O)N2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)CC=CCC1 1565543059 NZOQDLMOBFZMLN-PMVMPFDFSA-N 384.520 3.742 0 40 GHAB O=C(c1cccc(Cl)n1)N1CCC2(CCN(Cc3cccnc3)CC2)CC1 1565555295 FNSJHJPCGKBKSH-UHFFFAOYSA-N 384.911 3.648 0 40 GHAB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)nn3C)nc2c1 9200605 JFNBGOJSJAMHEE-UHFFFAOYSA-N 393.472 3.589 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)Cc1cc(-c2ccc3c(c2)OCO3)on1 23127319 KVVLUEKQDNYYDI-HNNXBMFYSA-N 378.428 3.750 0 40 GHAB CCOC(=O)c1c(NCc2cccc(OC)c2)c2ccc(Cl)cc2[nH]c1=O 49001533 FDOFTIXTSNISJK-UHFFFAOYSA-N 386.835 3.979 0 40 GHAB O=C(NCCc1ccc(-c2ccsc2)s1)C(=O)NCc1ccc(F)cc1 575413993 FSKNQUOEUWQZMU-UHFFFAOYSA-N 388.489 3.591 0 40 GHAB Cc1nn(CCNS(=O)(=O)c2cccc(Cl)c2C)c(C)c1-c1ccco1 575616069 VMENASBVPRGJBM-UHFFFAOYSA-N 393.896 3.700 0 40 GHAB O=C(CCNC(=O)c1cccs1)N[C@@H]1CCCc2cc(OC(F)F)ccc21 69962216 DZJJVZVUFVSIFC-OAHLLOKOSA-N 394.443 3.663 0 40 GHAB CCc1cccc(C)c1NC(=O)CSc1ccc(NC(=O)/C=C/C(=O)O)cc1 17081504 GJFLINJYZXWXIR-VAWYXSNFSA-N 398.484 3.868 0 40 GHAB CCCN(Cc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 40098473 YRCQKFCZBDLBSF-UHFFFAOYSA-N 389.521 3.689 0 40 GHAB Cn1ccnc1Sc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 40074187 HNEKLTQDSRUNMG-HNNXBMFYSA-N 392.484 3.563 0 40 GHAB CNS(=O)(=O)c1ccc(-c2cccs2)c(C(=O)NC2CCCCCC2)c1 40143412 LPNMJFNFYXGCRL-UHFFFAOYSA-N 392.546 3.776 0 40 GHAB O=C(CCCc1ccccc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 40134207 LXVYMIDTPVKOGU-UHFFFAOYSA-N 386.455 3.506 0 40 GHAB COc1cc(Br)cc2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(=O)oc12 30769017 GWKULBFMVWFBPE-IINYFYTJSA-N 394.265 3.873 0 40 GHAB Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cc2)c1 20369679 YOVDRHODZBSQBS-GOSISDBHSA-N 393.487 3.751 0 40 GHAB Cc1ccc2nc(NC(=O)CSc3nc4ccccc4c(=O)n3C)sc2c1 31694531 XLDYTYZENNBUBK-UHFFFAOYSA-N 396.497 3.582 0 40 GHAB O=C1C[C@@H](C(=O)Nc2cccc(F)c2)n2ncc(-c3ccc(Cl)cc3)c2N1 32102175 ZEUDTPCZUBDSOA-INIZCTEOSA-N 384.798 3.865 0 40 GHAB CC[C@H](C)c1ccc([C@@H](NC(=O)Cn2cccnc2=O)c2cccs2)cc1 32948233 IIBWBHNTQDHCSA-MGPUTAFESA-N 381.501 3.724 0 40 GHAB C[C@H](c1cccs1)N(C)CCS(=O)(=O)c1ccc(Br)cc1 24114098 VQUKPVPXSLJXSF-GFCCVEGCSA-N 388.352 3.977 0 40 GHAB Cc1sc2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c(=O)c2c1C 1368259 BZMKXZJVDSIPMK-UHFFFAOYSA-N 379.894 3.986 0 40 GHAB COc1ccccc1-c1ccc(=O)n(CC(=O)c2c(C)n(C)c3ccccc23)n1 40309994 KXRFODMJFVLMNB-UHFFFAOYSA-N 387.439 3.602 0 40 GHAB biogenic COc1cc(OC)cc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1 1962550 LUXOLZQCNYTYOQ-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100936978 GMUBXYGFPJMNFP-KODHJQJWSA-N 377.827 3.883 0 40 GHAB CCOc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 6353088 YYRQIOOUZCIFRY-UHFFFAOYSA-N 383.473 3.784 0 40 GHAB O=C(NC1CCCCC1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 6766623 OMSAIGIJLANHHF-UHFFFAOYSA-N 384.501 3.501 0 40 GHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 36408785 HEVGKGSPJGGMSY-GQIGUUNPSA-N 390.574 3.918 0 40 GHAB Cc1cccc(N(CCCC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c1 8041712 ZDUWTADJKUJNGF-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(CCc2ccccn2)CC1 21149661 WJWBFARTAIGJPD-LJQANCHMSA-N 395.547 3.533 0 40 GHAB CN1CCN(c2ccc(NC(=O)c3ccc(COc4ccccc4)o3)cc2)CC1 32675925 PSWNVDPDYQCFEE-UHFFFAOYSA-N 391.471 3.863 0 40 GHAB CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nc2ncccc2c1=O 32876483 SAPHBNQZAFORFY-UHFFFAOYSA-N 396.516 3.974 0 40 GHAB O=C(c1ccccc1)[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1ccccc1 32828859 BQNPYKWJKGJBSV-MJGOQNOKSA-N 380.473 3.568 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3CCCn4nc(C(C)C)nc43)cc2)n1 89594225 FJJKZSUBIBZZES-LJQANCHMSA-N 392.507 3.528 0 40 GHAB C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)N1[C@@H](C)CCC[C@H]1C 102516391 IQTVHGMEQYHENY-XQQFMLRXSA-N 379.917 3.586 0 40 GHAB CN(C(=O)[C@@H]1CCCN(c2cnccn2)C1)C(c1ccccc1)c1ccccc1 45712447 CPAFHVWTGCYOCV-OAQYLSRUSA-N 386.499 3.941 0 40 GHAB CCOC(=O)/C=C(/CC(=O)OCC)Nc1ccc(C(=O)c2ccccc2)cc1 104085759 XGYOFTXYKXQMKF-RGEXLXHISA-N 381.428 3.730 0 40 GHAB CCN(C(=O)c1c[nH]n2c1nc(=O)c1ccccc12)[C@@H](C)c1ccc(F)cc1 103396526 UQVZIGGPCZLLTR-ZDUSSCGKSA-N 378.407 3.538 0 40 GHAB COc1ccccc1NC(=S)NNC(=S)Nc1ccc(F)c(Cl)c1 2638183 AHXCLLJBCCNVEP-UHFFFAOYSA-N 384.889 3.676 0 40 GHAB CC(C)CN1CCO[C@H](CNC(=O)Cc2coc3ccc4ccccc4c23)C1 22764183 CKBZVHZCNBOCHM-LJQANCHMSA-N 380.488 3.602 0 40 GHAB O=C(COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)c1cccc(Br)c1 101035131 PBVVRKFPJVCTOF-STQMWFEESA-N 379.250 3.570 0 40 GHAB CCOc1ccccc1N1C(=O)C[C@H](Nc2ccc(Br)cc2)C1=O 101276209 BJSZDAPYVBDMCW-AWEZNQCLSA-N 389.249 3.592 0 40 GHAB Cc1noc(C)c1CC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1Cl 24484931 UVFLJIWBXPMFON-KRWDZBQOSA-N 378.856 3.687 0 40 GHAB Cc1ccc(OCCNC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 24832820 SLRBBRROBZKVLQ-UHFFFAOYSA-N 383.492 3.545 0 40 GHAB Cc1cc2nnc(SCC(=O)N3CCc4sccc4C3)n2c2ccccc12 25048620 BIPODNRIKVDWET-UHFFFAOYSA-N 394.525 3.929 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 12137159 SIHJUNDSTIXFSM-MRXNPFEDSA-N 378.428 3.924 0 40 GHAB COc1ccccc1[C@@H](C)N(C)C(=O)CCN1C(=O)CSc2ccccc21 25109603 GLNJRMKDRVTYBV-OAHLLOKOSA-N 384.501 3.744 0 40 GHAB CCCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 409123621 HEEFFMWJFGKUNJ-UHFFFAOYSA-N 388.533 3.723 0 40 GHAB COC(=O)c1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 2113371 GOZTVKUYMCHHNV-UHFFFAOYSA-N 391.423 3.815 0 40 GHAB biogenic Cc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccccc2Cl)N2CCCC2)o1 58227728 JKAFOLNSLIGFBJ-RDJZCZTQSA-N 376.884 3.962 0 40 GHAB Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12CN(CCC(C)(C)C)CCO2 306127658 GEFSAOIXOFACBJ-OXJNMPFZSA-N 379.570 3.631 0 40 GHAB CCOC(=O)c1csc(-c2ccccc2CN2C(=O)c3ccccc3C2=O)n1 61997394 PUCUXYWHISIZAG-UHFFFAOYSA-N 392.436 3.783 0 40 GHAB Cn1cnnc1-c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 47992028 ZFXQZEYLVKCKRD-UHFFFAOYSA-N 383.260 3.590 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@H](C)NCc2ccco2)sc2c1CC[C@H](C)C2 3292317 MAVYPFZMAMHYOF-STQMWFEESA-N 390.505 3.759 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2C(F)(F)F)c1C 3275350 JQYOZVHJFMXEHP-UHFFFAOYSA-N 397.349 3.867 0 40 GHAB COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc3ccccc3c2)c1 7266788 IMAAKIULQQXCLP-INIZCTEOSA-N 391.471 3.746 0 40 GHAB Cc1cc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)n1Cc1cccs1 12795482 ROZZSYNAFLHJDP-UHFFFAOYSA-N 394.544 3.615 0 40 GHAB O=C(Nc1ccc(Cl)cc1F)c1ccccc1S(=O)(=O)N1CCCCC1 12776134 YDBLOWIKORFKBN-UHFFFAOYSA-N 396.871 3.906 0 40 GHAB COc1cc(CC(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc(OC)c1OC 12861884 ZQAXQNQXBFPNEE-UHFFFAOYSA-N 399.418 3.970 0 40 GHAB Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c(=O)[nH]1 12889412 CIEAHFUGJWKFBL-UHFFFAOYSA-N 386.452 3.529 0 40 GHAB COc1cc(C(=O)O[C@H](C)C(N)=O)ccc1OCc1ccc(Cl)cc1Cl 3482993 AMKNNDWXHZLOJV-SNVBAGLBSA-N 398.242 3.612 0 40 GHAB CN(C(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C1CCCC1 20458422 YGCXZBLSYMYUPM-UHFFFAOYSA-N 378.519 3.588 0 40 GHAB Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 12926750 HVZNUUIXBVTBOT-UHFFFAOYSA-N 387.442 3.833 0 40 GHAB O=C1CCCN1c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1Cl 12928891 DLLLYAZOQDSKAU-UHFFFAOYSA-N 386.807 3.546 0 40 GHAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc21 15867519 GNHGXXFSNGHCMS-UHFFFAOYSA-N 391.880 3.848 0 40 GHAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)C3=C(Cl)CCCC3)cc2)C[C@H](C)O1 67936192 ZKGLCFYUVNWMEQ-GJZGRUSLSA-N 390.911 3.619 0 40 GHAB O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N1CCCc2cc(Cl)ccc21 68088784 DNJCRZSZYCOVAY-UHFFFAOYSA-N 383.810 3.618 0 40 GHAB COc1ccc(OCc2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)cc1 13692064 CPRQTALDFKQYBW-UHFFFAOYSA-N 377.429 3.922 0 40 GHAB O=C(CCS(=O)(=O)C1CCCC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 49639023 MJNCYSKVIGXQGG-QFIPXVFZSA-N 397.540 3.908 0 40 GHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(OC(C)C)cc2)C1=O 409214660 ZHZDOKOEAQVNGK-YDRQLGOLSA-N 377.462 3.852 0 40 GHAB Cc1ccc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)cc1C 65185585 AXSOJRUQYNYTTG-UHFFFAOYSA-N 376.372 3.723 0 40 GHAB Oc1ccccc1N1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 16237317 OVPATRDTQBCEAT-UHFFFAOYSA-N 381.423 3.930 0 40 GHAB Cc1nc2sc3c(c2c(=O)n1NC(=O)C12CC4CC(CC(C4)C1)C2)CCCC3 4419906 DPCUNQINHSNVOC-UHFFFAOYSA-N 397.544 3.932 0 40 GHAB C[C@H]1CCCN(CCCCNC(=O)NCc2cccc(Br)c2)C1 65474583 JLSGNCWBRVFBHB-HNNXBMFYSA-N 382.346 3.760 0 40 GHAB COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccc(F)cc3)oc12 4592343 FZGGCNWAIYQOBU-JUZPYSENSA-N 396.418 3.722 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)nc2n1 4523499 SMXDBXJNHABBMA-HILYYZTDSA-N 399.564 3.554 0 40 GHAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 66014569 DHWWSIKYCOVWBP-UHFFFAOYSA-N 395.465 3.882 0 40 GHAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1C[C@@H](C)C[C@@H](C)C1 5500922 AWBVFLCBGJQJMN-BETUJISGSA-N 391.899 3.914 0 40 GHAB NC(=O)c1c(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)sc2c1CCC2 6610531 LEQSBNPYASCPNN-UHFFFAOYSA-N 392.484 3.651 0 40 GHAB Cn1c(SCc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)nnc1C1CC1 8134459 ZRYSUFXKPKEAGS-UHFFFAOYSA-N 395.513 3.950 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)NC(c1ccccc1)c1ccccc1 8205556 NQVIPIPUULTYBF-UHFFFAOYSA-N 387.482 3.603 0 40 GHAB CC(C)[C@H]1C[C@](CC(=O)N2CCOCC2)(Cc2ccccc2Cl)CCO1 9547938 MPWFRYDAKBWWJY-TZIWHRDSSA-N 379.928 3.953 0 40 GHAB CC/C(Nc1ccc2c(c1)CCC2)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 9012843 CYCCIVANZPEIBG-FMQUCBEESA-N 389.455 3.530 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccccc1N1CCCC1 9157213 DDNSVRVCKXPWJW-UHFFFAOYSA-N 394.500 3.991 0 40 GHAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F 78747840 FIHBPKMMKSZAGT-UHFFFAOYSA-N 377.315 3.652 0 40 GHAB C[C@H](OC(=O)CCCCc1cn[nH]n1)C(=O)Nc1ccccc1-c1ccccc1 97162167 XRTWRXVZSRRZER-INIZCTEOSA-N 392.459 3.755 0 40 GHAB O=C1CCCc2cc(C(=O)NCCCOc3cccc4cccnc34)ccc2N1 84493984 WHKZJXJEBYCTQF-UHFFFAOYSA-N 389.455 3.709 0 40 GHAB CC(C)Cc1ccc(S(=O)(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)cc1 79105719 AKDPHSIAUYLZSK-XLIONFOSSA-N 375.534 3.718 0 40 GHAB Cc1cn2c(=O)cc(COC(=O)CSc3ccc(Cl)cc3)nc2s1 21538554 YAAFRWMFVKEDAA-UHFFFAOYSA-N 380.878 3.553 0 40 GHAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 72354158 VYDSJMVJVUBCRL-LJQANCHMSA-N 392.478 3.873 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N3CCc4ccccc4C3)o2)cc1 31622099 CSFPAXISGCMXBD-UHFFFAOYSA-N 395.484 3.634 0 40 GHAB COCc1cc(N2CCC[C@H]2Cn2cnc3ccccc32)nc(C(C)(C)C)n1 535158926 KAEPDCWZVXFYIW-KRWDZBQOSA-N 379.508 3.939 0 40 GHAB C[C@@H](N[C@@H](c1ccccc1)c1cccc(F)c1)c1cccc(S(N)(=O)=O)c1 540315661 ITXVVIZPYXZZLJ-VFNWGFHPSA-N 384.476 3.913 0 40 GHAB CCc1nccn1-c1nccnc1[C@H]1CCCN(Cc2ccc(OC)cc2)C1 72350518 PKZGKKGTNAWVIF-SFHVURJKSA-N 377.492 3.613 0 40 GHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1ccc(Br)s1 37132505 WCIJPJZSBRLIRF-MEBBXXQBSA-N 382.279 3.698 0 40 GHAB CC(C)c1noc(COC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)n1 36692743 ZEWRZAJCUKPMFB-SJORKVTESA-N 397.475 3.632 0 40 GHAB COc1ccc(-c2noc(-c3ccc(OCC(=O)NCC(C)C)cc3)n2)cc1 32579143 CTIABKJWTDFCDP-UHFFFAOYSA-N 381.432 3.563 0 40 GHAB CCCc1ncc(CN2C[C@@H]3[C@@H](CCC[C@]3(O)c3ccccc3OC)C2)cn1 72340984 OXYYHSFARQYGBZ-NOXFTYBFSA-N 381.520 3.557 0 40 GHAB CC(C)Sc1ccccc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 40159731 HJTSZDZANQBFTD-IBGZPJMESA-N 384.545 3.818 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(OC)c(C)c1 224511671 UGBJFIHPROQGBF-GOSISDBHSA-N 391.489 3.528 0 40 GHAB CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1 224014254 AUXJAFJBIDAYAD-HNNXBMFYSA-N 390.505 3.723 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(Cl)cc21 223362820 NXDRDQQAWPMOKG-UHFFFAOYSA-N 387.244 3.722 0 40 GHAB COc1cccc([C@H](CNC(=O)c2nc(-c3ccco3)sc2C)N(C)C)c1 40062706 CQFPPHBHCIGTNB-INIZCTEOSA-N 385.489 3.753 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 223638996 NNNBXHJPQLUQGX-SFHVURJKSA-N 384.545 3.949 0 40 GHAB O=C(NCc1cccc(F)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 224094394 GFTXPOPMWOMCDZ-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(CN2CCCC2)cc1 225548577 VFWLCGAUBAUZAX-UHFFFAOYSA-N 378.516 3.761 0 40 GHAB O=C1CCCN1Cc1ccccc1CNC(=O)C1(c2ccccc2)CCCC1 192816762 SLMFXLIEOZYMIM-UHFFFAOYSA-N 376.500 3.937 0 40 GHAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 96227357 BAONUAJLONKQEZ-NQIIRXRSSA-N 398.894 3.638 0 40 GHAB Cc1c(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)nn2c1OCCC2 577031773 UBOIGMKHJBEDPL-SFHVURJKSA-N 381.476 3.632 0 40 GHAB Cc1cc(=O)c(OCC(=O)Nc2cccc3c2ccn3Cc2ccccc2)c[nH]1 95479391 QKTAXAXOTRCVIU-UHFFFAOYSA-N 387.439 3.704 0 40 GHAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4ocnc4C)C3)o2)c1 257221692 DQCPWSACMRFPTN-INIZCTEOSA-N 381.432 3.590 0 40 GHAB C[C@@H](NC(=O)N1CCC[C@H](n2ccnc2)C1)c1ccc(OC(F)(F)F)cc1 590850542 RKRBVKFWEAMPGF-HIFRSBDPSA-N 382.386 3.889 0 40 GHAB Cn1ccnc(Oc2ccc(-c3cc(F)ccc3OC[C@@H]3CCCO3)cc2)c1=O 649428873 DTJAIOVEEHAPIB-SFHVURJKSA-N 396.418 3.937 0 40 GHAB O=C(NCC1CCN(C(=O)/C=C/c2ccco2)CC1)c1ccc2ncsc2c1 96120408 VYVSETNODGOMPD-GQCTYLIASA-N 395.484 3.571 0 40 GHAB O=C(Nc1cccc(Cl)c1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96374149 DLPRKLHIFSTJPQ-UHFFFAOYSA-N 396.871 3.949 0 40 GHAB C[C@@H](Oc1cccnc1NC(=O)N1CCCc2c(cnn2C)C1)c1ccccc1 669279538 SZMOUUWKRVECJY-MRXNPFEDSA-N 391.475 3.935 0 40 GHAB O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cc2ccccc2o1 5298252 RMMLHMHBDCVCTF-UHFFFAOYSA-N 390.395 3.904 0 40 GHAB Cc1cc(C)c(-c2no/c(=N\S(=O)(=O)c3ccc(Cl)cc3)o2)c(C)c1 16958525 QKGVTQZYBJUROA-JZJYNLBNSA-N 378.837 3.803 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 17305839 LIBIUPMIAJOPEO-SFHVURJKSA-N 377.492 3.824 0 40 GHAB COc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)c2ccc3c(c2)CCCO3)cc1 19458927 XEFHOPVEJCCHJQ-CQSZACIVSA-N 377.444 3.901 0 40 GHAB Cc1cc(C(=O)N[C@@H](c2nc3c4c(C)c(C)oc4ncn3n2)C(C)C)cs1 19571987 ASZQLISCQWTIDD-OAHLLOKOSA-N 383.477 3.984 0 40 GHAB Cc1nc2ccc(CCC(=O)NCC3(c4ccccc4F)CCOCC3)cc2[nH]1 19576763 JFFBIYQVMWBGEZ-UHFFFAOYSA-N 395.478 3.808 0 40 GHAB COc1cccc(CN2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)c1OC 19712615 HKRJZBXHVNTADT-MZKRTTBSSA-N 394.515 3.731 0 40 GHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)o1 9905889 UHUXUQMBTISQBJ-YOFDASAYSA-N 379.460 3.754 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)cc1 35289573 HSHYZBPCTOTREF-GOSISDBHSA-N 383.448 3.647 0 40 GHAB CC[C@H](CNC(=O)N1C[C@@H](C)[C@](C)(CO)C1)Cc1cccc(Br)c1 664171836 CAIUKGYYPRMAFM-VCBZYWHSSA-N 397.357 3.678 0 40 GHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(Cc2cc(C3CC3)on2)CC1 1888897489 IOELMMXJYITLBU-UHFFFAOYSA-N 396.466 3.622 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)CCOc3ccccc32)cc1 24842522 VUKQFHCWFAPSKS-IBGZPJMESA-N 394.471 3.565 0 40 GHAB Cn1cncc1-c1cccc(C2CCN(Cc3ccc(C(=O)O)cc3)CC2)n1 2037846008 LCWWXWLSSCJUIC-UHFFFAOYSA-N 376.460 3.560 0 40 GHAB Cc1nc(CN2CCC[C@]3(CCCN(C(=O)c4ccnc(F)c4)C3)C2)cs1 2056224247 NFRATBWAMHRDLR-FQEVSTJZSA-N 388.512 3.504 0 40 GHAB CC(C)c1ccc(CN2CCC[C@]3(CC(C(=O)NCC(F)(F)F)=NO3)C2)cc1 2056226136 LIDIZZUWVJDMRQ-IBGZPJMESA-N 397.441 3.599 0 40 GHAB Cc1oc(-c2ccccc2)nc1Cn1cnc2sc3c(c2c1=O)CCOC3 2087110012 VFRXAHHUHRDLKP-UHFFFAOYSA-N 379.441 3.542 0 40 GHAB COC[C@@H]1CC2(CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)CN1Cc1cccnc1 1565542457 BPSKZDPQDSZLJS-GMAHTHKFSA-N 397.563 3.658 0 40 GHAB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(F)cc1F 4939927 VMVIQMQSUQTKGH-UHFFFAOYSA-N 396.397 3.511 0 40 GHAB COc1ccc(Nc2nnc(Cc3ccc(C(C)C)cc3)c(=O)[nH]2)cc1OC 5154458 UYTHOQWXPLNMPN-UHFFFAOYSA-N 380.448 3.640 0 40 GHAB COc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)c3cc(C)no3)nc12 12422342 QPIAAOJONCHJMU-CYBMUJFWSA-N 387.461 3.736 0 40 GHAB CC(C)C(=O)Nc1ccc(SCC(=O)Nc2ccc(F)c(Cl)c2)nn1 13702210 WKXKTPQISGMTCM-UHFFFAOYSA-N 382.848 3.594 0 40 GHAB CCOC(=O)c1c(NCc2ccc(F)cc2F)c2cc(F)ccc2[nH]c1=O 49001423 UNLXLXMXTBFLAI-UHFFFAOYSA-N 376.334 3.734 0 40 GHAB CCOc1ccccc1CCC(=O)NCCNc1ncc(Cl)cc1Cl 40110398 UOGQRCXSYSRSDY-UHFFFAOYSA-N 382.291 3.948 0 40 GHAB C[C@H](NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(Cl)cc1 40130237 UQFNYMLXNFLRHJ-JSGCOSHPSA-N 379.291 3.877 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C 787043 LALGWOHCRRCIPZ-UHFFFAOYSA-N 388.880 3.875 0 40 GHAB O=C(Nc1cc(O)nc2nc(CCc3ccccc3)nn12)c1ccccc1Cl 16996540 AXBZFYGXNQPGGN-UHFFFAOYSA-N 393.834 3.521 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)cc1 1343615 ZLOLPAACIIIBMN-IBGZPJMESA-N 381.432 3.533 0 40 GHAB CCCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc5ccccc45)C(=O)[C@H]13)O2 2145784 MIJGALVNUOMISF-IUBSTNSRSA-N 391.467 3.860 0 40 GHAB biogenic CSc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 3561832 XLYYABJMHYFZQP-UHFFFAOYSA-N 390.530 3.835 0 40 GHAB C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(OCC(=O)c4ccc(F)cc4)c3)C(=O)[C@H]12 4475873 YXIFIIUDIISTQZ-UQIDSAAFSA-N 393.414 3.789 0 40 GHAB COCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2c(C)cccc12 4895558 DRHQMIWNPAOLON-UHFFFAOYSA-N 385.464 3.599 0 40 GHAB CNC(=O)NC(=O)[C@H](Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 6284874 FZKUEAAEAXHYCL-OAQYLSRUSA-N 389.455 3.874 0 40 GHAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(C)c3)cc2)CC1 6517667 GWVHNMRKBHDJNL-UHFFFAOYSA-N 396.560 3.572 0 40 GHAB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)Nc1ccc(C(C)(C)C)cc1 28914683 OPPQBLFGSVEFOI-OAHLLOKOSA-N 380.492 3.765 0 40 GHAB Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)c1ccccc1 6818689 FXYOLJBQTQFIQQ-UHFFFAOYSA-N 390.464 3.714 0 40 GHAB CCCOc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1OCC 6942266 ZDDJOWDSDVMWKT-AQTBWJFISA-N 380.444 3.967 0 40 GHAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(-c2ccc(F)c(Cl)c2)o1 101715739 YDYDNJWFMZQLHO-JTQLQIEISA-N 375.783 3.932 0 40 GHAB CCOc1ccccc1CNC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32578882 GCDLXZWFOUGUFP-UHFFFAOYSA-N 395.459 3.954 0 40 GHAB Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@@H]32)[C@@H]1C(=O)O 101967510 PBSDNHFROFWOEU-SJJUBHFPSA-N 390.277 3.773 0 40 GHAB O=C(OCC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)c1ccccc1O 8447608 RBEOHZNIIJOCFH-LJQANCHMSA-N 389.407 3.716 0 40 GHAB O=C(Cc1csc(-c2ccsc2)n1)NCc1ccccc1Cn1ccnc1 32860068 YZHUBTJVTJBHFB-UHFFFAOYSA-N 394.525 3.975 0 40 GHAB COc1cc(C)c(Br)cc1S(=O)(=O)NCc1ccc(C)cc1 11613825 AIOPSWNHICGNMJ-UHFFFAOYSA-N 384.295 3.553 0 40 GHAB O=C(NCCSc1ccc(Br)cc1)c1ccc2[nH]cnc2c1 32999757 ISSNFWUMBDUGFQ-UHFFFAOYSA-N 376.279 3.848 0 40 GHAB CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2cc(Br)ccc21 9287178 RDUDJVONTWZJCJ-UHFFFAOYSA-N 379.641 3.588 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)OCc1nc2ccccc2s1 2639262 ZFUKHCUDHRHDOE-SFHVURJKSA-N 386.448 3.933 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N(C)C)n2[C@H]2CCCC[C@@H]2C)cc1 2664994 YCOAYQJTRVWECU-YOEHRIQHSA-N 388.537 3.885 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3ccc(OC(=O)Cc4ccccc4)cc3)C(=O)[C@@H]2C1 102536716 ZVSKWBTWFREMIV-WOJBJXKFSA-N 375.424 3.680 0 40 GHAB CN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(CN2CCOCC2)cc1 22436684 OKESGRYCUCVDTJ-UHFFFAOYSA-N 387.911 3.514 0 40 GHAB C[C@H](O)c1cc(Cl)ccc1Sc1ccccc1C(=O)N1CCN(C)CC1 717541 XHCDZVYXZIGXKH-AWEZNQCLSA-N 390.936 3.932 0 40 GHAB CC(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 877399 KMKQXFUTUUSSRN-UHFFFAOYSA-N 383.498 3.936 0 40 GHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCc3ccccc3C2)C1=O 23381320 IHXVZBWUHOCRCP-XMMPIXPASA-N 385.467 3.623 0 40 GHAB CCCNC(=O)C1CCN([C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 42685478 YXAFATLPOQLGHO-GFCCVEGCSA-N 386.323 3.559 0 40 GHAB COc1cccc2c1ccn2CC(=O)Nc1nnc(Cc2ccccc2)s1 61720807 JWZAOHKSIRTYIT-UHFFFAOYSA-N 378.457 3.731 0 40 GHAB O=C([C@H](Nc1cccc(N2CCOCC2)c1)c1ccccc1)N1CCCCC1 56206344 RZXKLMTWSUQFSM-JOCHJYFZSA-N 379.504 3.689 0 40 GHAB CC(=O)c1cccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1 1782211 ZZVWHGLXBVGXDB-UHFFFAOYSA-N 378.428 3.684 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CC=C(c3ccc(O)cc3)CC2)C1 57940650 CNYWKAJPUZBBIT-GOSISDBHSA-N 386.492 3.655 0 40 GHAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CCc1nc(-c2ccncc2)no1 58201490 NXZKVKUNTKRQNP-INIZCTEOSA-N 378.476 3.937 0 40 GHAB C[C@@H](CCc1ccco1)NC(=O)CSCC(=O)Nc1ccc(Cl)cc1 12755066 AVRXLBJZHQJPCI-ZDUSSCGKSA-N 380.897 3.742 0 40 GHAB O=C(Nc1ccccc1OC(F)(F)F)C1CCN(C(=O)c2ccco2)CC1 12730457 OVZSEHYTDXBPIE-UHFFFAOYSA-N 382.338 3.669 0 40 GHAB Cc1ccc(Nc2nnc(SCC(=O)NC(=O)NCCC(C)C)s2)cc1 3469838 DNEVIOGRYBPWQX-UHFFFAOYSA-N 393.538 3.554 0 40 GHAB Cc1ccc(NC(=O)Cc2noc3ccccc23)cc1I 8249175 BWXBWJZRDPQAKB-UHFFFAOYSA-N 392.196 3.922 0 40 GHAB COc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1OC 8237162 YSHCZXMZZZMFQT-UHFFFAOYSA-N 392.459 3.941 0 40 GHAB COc1ccc(Br)c(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 13145392 LIXANBKZPJVVNR-BFQNTYOBSA-N 398.297 3.555 0 40 GHAB Cc1c(Cl)cccc1N(CCCC(=O)NCc1ccccc1)S(C)(=O)=O 113965826 UOCUVUQDVQIBSX-UHFFFAOYSA-N 394.924 3.511 0 40 GHAB C[C@H](N[C@H](CC(=O)c1ccc(Br)cc1)C(=O)O)c1ccccc1 4118515 PBAINNIDDTZARI-BLLLJJGKSA-N 376.250 3.826 0 40 GHAB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1 408622175 ONCASHQMHAHIGZ-LBPRGKRZSA-N 386.473 3.804 0 40 GHAB CCc1ccc(N2C[C@H](c3nnc(NC(=O)C(CC)CC)s3)CC2=O)cc1 13944505 CEJOFPRFALNXSU-OAHLLOKOSA-N 386.521 3.996 0 40 GHAB Cc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)s2)cc1C 13944301 NPPDCVKTQLAFEG-MRXNPFEDSA-N 392.484 3.928 0 40 GHAB COc1ccc([C@@H](CNC(=S)NCCc2ccccc2)N2CCCC2)cc1 6335985 PXGWRLYHPHXYQQ-OAQYLSRUSA-N 383.561 3.539 0 40 GHAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(F)cc2)CC1=O 408659571 VYBODVFJRZAKJB-AWEZNQCLSA-N 389.810 3.567 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1 5453626 MVAODWRJWCGDLO-UHFFFAOYSA-N 377.267 3.760 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)n(-c2ccccc2)n1 5401064 AZDPRGRKEHUPJT-UHFFFAOYSA-N 394.504 3.715 0 40 GHAB CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCOC)c1 6732799 SDRWWOMDBWAQEK-IBGZPJMESA-N 397.402 3.522 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2ccc(OC)c(F)c2)c1C 9076935 ZOAYNKBEHQIIHD-GXTWGEPZSA-N 390.455 3.878 0 40 GHAB Cn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1C(F)(F)F 7180743 UVJZYDPFHMAASW-ZDUSSCGKSA-N 384.427 3.680 0 40 GHAB O=C(CSc1ccc(F)c(F)c1)NC1CCN(Cc2ccccc2)CC1 19418848 DQKRCMXXQDRNSJ-UHFFFAOYSA-N 376.472 3.838 0 40 GHAB COc1ccc(CCNc2nccn(-c3ccc(Cl)cc3)c2=O)cc1OC 15732402 AABARRNMJCCGET-UHFFFAOYSA-N 385.851 3.558 0 40 GHAB NC(=O)CSc1ccccc1NCC(=O)Nc1ccc(Cl)c(Cl)c1 8747450 FTDAZHLWHCTUFX-UHFFFAOYSA-N 384.288 3.621 0 40 GHAB CC(=O)c1ccccc1NCC(=O)Nc1ccccc1I 9157248 JIEZLDFCANEAOY-UHFFFAOYSA-N 394.212 3.544 0 40 GHAB Cc1c(Cl)c(COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)nc2ccccc12 7783490 DQSFPITYVQAFQK-DNVCBOLYSA-N 390.892 3.694 0 40 GHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cn1c(=O)n(C)c2ccccc21 71844277 YYSUTWVFXGLKSA-RBUKOAKNSA-N 377.488 3.525 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)N(CC(C)(C)O)C(C)C)s2)cc1OC 84064618 HTHMLINUWSCRKB-UHFFFAOYSA-N 392.521 3.757 0 40 GHAB Cc1ccc(CC(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1 72280433 SEDYUWBJINVTLO-UHFFFAOYSA-N 396.922 3.573 0 40 GHAB CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 95351025 COBBKWXXVZHBLJ-ZIAGYGMSSA-N 398.406 3.819 0 40 GHAB CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCCCc3ccccc32)cc1Cl 84774034 FYOIMYDXMRVWLA-UHFFFAOYSA-N 396.871 3.969 0 40 GHAB Cc1cc(O[C@H](C)C(=O)NCC(=O)Nc2ccc3cn[nH]c3c2)ccc1C(C)C 79019814 XKQUJBRKMVRGCT-OAHLLOKOSA-N 394.475 3.517 0 40 GHAB CCCCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 26120411 RFWZHPXSIYKZMY-UHFFFAOYSA-N 384.567 3.503 0 40 GHAB COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1O 409051395 LRFWIMSGGQQWMV-BOPFTXTBSA-N 389.404 3.655 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2F)ccc1OCC 408586388 OJXOGXSMGRMJFJ-UHFFFAOYSA-N 382.413 3.594 0 40 GHAB COc1cccc(NC2=NC(=O)S/C2=C\c2ccc3c(c2)n(C)c(=O)n3C)c1 72400947 BYUFOTBQOOAKOX-YVLHZVERSA-N 394.456 3.604 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1C 33761401 OXARLDCPJBMDQR-CQSZACIVSA-N 380.897 3.750 0 40 GHAB O=C(Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccco1 33068212 BILMCQQBWUZNLH-UHFFFAOYSA-N 395.802 3.772 0 40 GHAB COc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)cc1OC 32469740 PJXPSFSAIQMPRJ-UHFFFAOYSA-N 399.468 3.975 0 40 GHAB CCCc1nc(S/C(=C\c2ccc(OC(C)C)c(OC)c2)C(=O)O)n[nH]1 213378791 JSBBHDUIOFDNEL-GDNBJRDFSA-N 377.466 3.771 0 40 GHAB CSc1cccc(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)c1 49404112 OQVRKGVTPWTMOK-UHFFFAOYSA-N 385.518 3.732 0 40 GHAB COc1cc([C@H]2C3=C(COC3=O)Nc3c2ccc2c3CCCC2)cc2c1OCO2 66089376 TYHUBYKXPIXYJV-LJQANCHMSA-N 391.423 3.671 0 40 GHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1cccc(Cl)c1 40056968 ARGJUHSTAOFXQL-GMMCIKNFSA-N 377.893 3.976 0 40 GHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(c2ccc(F)cc2)CC1 223329158 QICQPSBEVOCYTF-KRWDZBQOSA-N 382.479 3.821 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 222849354 DGGVPNWSAQHZJA-QFIPXVFZSA-N 396.531 3.878 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)cc1 222889513 AESUBTQOKHFMRX-QFIPXVFZSA-N 396.531 3.878 0 40 GHAB O=C1C[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2)CN1CC(F)(F)F 58735895 FYHLWJVCZGTVHG-MRXNPFEDSA-N 376.378 3.631 0 40 GHAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cn3ccnc3)cc1)CC(C)(C)O2 44855574 BMZPBEXZDJQNIF-HXUWFJFHSA-N 391.471 3.972 0 40 GHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 222905819 UXSCGNDDBQDPQG-UXHICEINSA-N 377.517 3.896 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F 222655900 NWXOMRSRKRWKKW-HXUWFJFHSA-N 388.458 3.839 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1cccnc1 222726927 CXKDLIMLVUYCOE-WOJBJXKFSA-N 377.517 3.546 0 40 GHAB CC(C)n1c(=O)sc2cc(NS(=O)(=O)Cc3ccc(F)cc3)ccc21 225154725 RKONJRNNODNFSE-UHFFFAOYSA-N 380.466 3.725 0 40 GHAB Cc1cc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)ccc1N(C)S(=O)(=O)c1ccccc1 224191855 CICCMDPHQZRGEJ-HLIPFELVSA-N 398.528 3.739 0 40 GHAB Cc1cc(OCC(=O)Nc2ccccc2C)nc(N2CCc3ccccc3C2)n1 48985762 OSEPUOUJKYMGBQ-UHFFFAOYSA-N 388.471 3.674 0 40 GHAB Cc1cc(C)c(C[C@@H](C(=O)O)N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 225167726 GPHMTYKGYAEQKI-SFHVURJKSA-N 395.908 3.582 0 40 GHAB CN(C)C(=O)c1ccc(NC(=S)NCCCSCc2ccco2)cc1 225595203 NPPVVAWSMAOHDU-UHFFFAOYSA-N 377.535 3.591 0 40 GHAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1cnn(-c2ccccc2)c1C 225537403 NCQXXUHLRPCXDG-HXUWFJFHSA-N 388.427 3.607 0 40 GHAB CCOc1ccc(NC(=S)NCc2nc(-c3cccc(OC)c3)no2)cc1 225821982 OHTSMPZZRWQENO-UHFFFAOYSA-N 384.461 3.631 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(SC)c3)ccc21 225724709 QXLPEEPOIFSJCH-UHFFFAOYSA-N 394.543 3.996 0 40 GHAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 225688159 RXCOEVZGGSJFAP-JOCHJYFZSA-N 390.524 3.858 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1Cl 223344372 CRWNGGSQFXJSRA-UHFFFAOYSA-N 387.244 3.548 0 40 GHAB COc1ccccc1CN(C)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223706268 FLSFVKIJLSKLHC-UHFFFAOYSA-N 375.490 3.620 0 40 GHAB Cc1cc(C)n(-c2nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3s2)n1 226305530 SRIXLJHQQWQCCF-CYBMUJFWSA-N 390.534 3.662 0 40 GHAB Cc1cc(C2(C(=O)N[C@@H]3C[C@H]3c3ccccc3C(F)(F)F)CCOCC2)on1 625039550 GHDNZIRYZMALQD-GOEBONIOSA-N 394.393 3.722 0 40 GHAB CNC(=O)Cn1ccc2ccc(NC(=O)N(C)Cc3cc4ccccc4[nH]3)cc21 1252714191 RKVSQSSPLSNWBF-UHFFFAOYSA-N 389.459 3.533 0 40 GHAB Cc1cc(C)n(-c2cccc(-c3ccc(C(=O)N4CCC[C@@H]4C(=O)O)cc3)c2)n1 685942479 UBIPSEOPECRXGX-OAQYLSRUSA-N 389.455 3.845 0 40 GHAB Cc1cccc(N2CCN(C(=O)Nc3ccccc3Cn3cccn3)CC2)c1 44269572 GTPMDFKYHVXMLE-UHFFFAOYSA-N 375.476 3.594 0 40 GHAB CC(C)C(=O)Nc1nc(CC(=O)NCCSc2ccc(Cl)cc2)cs1 44347564 XFSSHQAIKLMUJN-UHFFFAOYSA-N 397.953 3.842 0 40 GHAB Cc1ccccc1NC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549161050 DEIVRLGCVAVNBX-UHFFFAOYSA-N 379.460 3.726 0 40 GHAB Cc1scc(C(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)c1C 12408015 VFXKLXNXUFYYSE-UHFFFAOYSA-N 384.461 3.535 0 40 GHAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 13710044 VEIOWJZDTSULOU-RUJXFNLJSA-N 384.907 3.965 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(Cc2ccccc2)CC1 14051921 NOKMEBKCGOQLQF-UHFFFAOYSA-N 375.472 3.619 0 40 GHAB O=C1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c2ccccc2N1 14339517 GUNFFPYYDDKTGW-UHFFFAOYSA-N 381.819 3.913 0 40 GHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1 14397356 LYWJHQUFPSLBIA-UHFFFAOYSA-N 384.860 3.664 0 40 GHAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 15976292 ZMLYYJORXUECGQ-NSHDSACASA-N 378.222 3.642 0 40 GHAB Cc1ccccc1OC[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)C1 19237319 BJUYTUBSXUYUMV-QZTJIDSGSA-N 397.471 3.809 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cn1 19238859 GOPCURMEJUYNJX-LBPRGKRZSA-N 387.390 3.587 0 40 GHAB CC1CCN(C(=O)c2cc([C@H]3CCCN(CCc4ccccc4)C3)no2)CC1 19496735 IZYIOWRMQQLHAO-FQEVSTJZSA-N 381.520 3.969 0 40 GHAB CCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 19502100 AYRVXEKHBXNOJV-IBGZPJMESA-N 379.508 3.923 0 40 GHAB Cc1nc(C)c(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)o1 19559383 GWVXYLODEHHWMM-SFHVURJKSA-N 378.476 3.980 0 40 GHAB CNc1cc([C@@H]2CCCN(C(=O)c3csc(C)c3)C2)nc(-c2cccnc2)n1 19571754 LBJLADGKSWTMMI-MRXNPFEDSA-N 393.516 3.970 0 40 GHAB CCN(CC)C(=O)CN1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 19690275 FUDSMVOZPRQXML-UHFFFAOYSA-N 383.511 3.859 0 40 GHAB CCCC(=O)N1CC[C@@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 19766157 VQDNULDRKOPXDH-CQSZACIVSA-N 386.883 3.807 0 40 GHAB O=C(c1ccc(NCc2cccnc2C(F)(F)F)cc1)N1CCC(CO)CC1 530112879 KNQPEITYMYPWER-UHFFFAOYSA-N 393.409 3.557 0 40 GHAB COCCNC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 12231697 WRCZTGSSROKMDY-UHFFFAOYSA-N 389.442 3.734 0 40 GHAB CCc1cc(C(=O)NCc2ccc(-c3nc(C)ncc3-c3ccccn3)cc2)on1 12222264 CDVZIVOAIALXGY-UHFFFAOYSA-N 399.454 3.994 0 40 GHAB C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)C(=O)NC1CC1 4491198 DSOGOQVWQMTDDH-CQSZACIVSA-N 396.491 3.756 0 40 GHAB COC(=O)c1ccc(OCCN2CCC[C@@H](c3nnc(C)s3)C2)c(Cl)c1 1889139489 YQDLUWXTZPZFEE-CQSZACIVSA-N 395.912 3.545 0 40 GHAB O=C1CC2(CCN(Cc3ccc(Cl)cc3)CC2)Nc2ccccc2CCN1 2037985781 WCFZGBABPHTGON-UHFFFAOYSA-N 383.923 3.849 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2cccs2)cs1 2723390 IAELEAKUPOGMEY-GFCCVEGCSA-N 395.575 3.944 0 40 GHAB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(C)c(C)c3)co2)n1 4377179 ANSBPJWVGRTIBK-UHFFFAOYSA-N 382.441 3.867 0 40 GHAB COc1ccccc1Nc1nc(Nc2ccccc2OC)nc(N2CCCC2)n1 4331136 WEFRSTVFARFHSC-UHFFFAOYSA-N 392.463 3.976 0 40 GHAB Cc1ccccc1-c1ccc(SCC(=O)NCc2ccc3c(c2)OCO3)nn1 5411708 KLDIKRMEXKSJEL-UHFFFAOYSA-N 393.468 3.589 0 40 GHAB CC[C@H](C)NC(=O)Cc1csc(SCc2cc(OC)cc(OC)c2)n1 8853592 YMUKFKQVLVOKLH-LBPRGKRZSA-N 380.535 3.910 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)NC4CCCCC4)ncnc32)c(C)c1 9517759 XFCDPTQLPVATHQ-UHFFFAOYSA-N 395.532 3.973 0 40 GHAB COc1cc(/C=C\C(=O)NCc2ccc3c(c2)cc(C)n3C)cc(OC)c1OC 13572337 JMIFUIAMQNIZSP-CLFYSBASSA-N 394.471 3.842 0 40 GHAB CCOc1cc(/C=C2\S[C@@H]3Nc4ccccc4N3C2=O)ccc1OC(C)=O 13563037 OMCMTWHDEDHNCJ-ZMUHTPIZSA-N 382.441 3.841 0 40 GHAB C[C@@H](NC(=S)Nc1cccc(F)c1)[C@H](c1cccs1)N1CCOCC1 13878797 DNWDKRSFUCOBDM-CXAGYDPISA-N 379.526 3.636 0 40 GHAB C[C@H](NC(=O)c1ccc(F)cc1)c1ccc2c(c1)CCN2C(=O)C1CCOCC1 1857524032 NUBWFWVVKLRSHS-HNNXBMFYSA-N 396.462 3.632 0 40 GHAB O=C(NCCn1cc(-c2ccncc2)cn1)c1ccc(C(=O)c2ccccc2)cc1 575612565 HGJXDXWVPBHCNQ-UHFFFAOYSA-N 396.450 3.606 0 40 GHAB CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CCN(Cc1ccccc1)C2 19944189 FRTVCSCEWSQEPL-UHFFFAOYSA-N 384.501 3.832 0 40 GHAB COc1ccc(CN(C)C)cc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 40086959 SVIOVGMNSAXDKV-OAQYLSRUSA-N 393.487 3.660 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@H](c2cccs2)N(C)C)n1 40104898 OZHCXHOFQTUXJZ-GOSISDBHSA-N 383.521 3.975 0 40 GHAB Cc1c(C(=O)NCc2cccc(OCC(F)(F)F)c2)[nH]c2c1C(=O)CCC2 40111910 QKPZZXFKXKFQRK-UHFFFAOYSA-N 380.366 3.713 0 40 GHAB O=C(/C=C/c1ccc(F)cc1)Nc1nonc1NC(=O)/C=C/c1ccc(F)cc1 677053 IZXQLHIKBICAKC-YDWXAUTNSA-N 396.353 3.652 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C 905009 NHFMXSLPXPKEMW-ZDUSSCGKSA-N 394.928 3.541 0 40 GHAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2C(F)(F)F)n2ncnc2N1 983260 GMBIISMHCBQVAK-HNNXBMFYSA-N 380.370 3.929 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(F)ccc3C)o2)cc1 1305204 OPVAKUHYCZRZHA-UHFFFAOYSA-N 387.436 3.847 0 40 GHAB CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc(C(=O)OC)c1C 1465893 JHKOVHJIBYNJID-BQYQJAHWSA-N 379.459 3.733 0 40 GHAB CCOc1ccc(Oc2coc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 2090216 QKIBMGRZICKUPN-UHFFFAOYSA-N 398.367 3.835 0 40 GHAB biogenic O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC(F)(F)F)cc2)N1 2151519 BSLISAZEHOCJOB-HOTGVXAUSA-N 376.334 3.755 0 40 GHAB biogenic CCOc1cc(-c2noc(-c3ccncc3)n2)cc(Br)c1OC 2352654 AVYKLTWPGDYUHA-UHFFFAOYSA-N 376.210 3.968 0 40 GHAB CCOC(=O)c1cccc(C(=O)c2cccc(I)c2)c1 2392606 IUMGWSYCFOZKDR-UHFFFAOYSA-N 380.181 3.699 0 40 GHAB CCOC(=O)[C@](Cl)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F 2565123 VUUNEWFAARABGI-NSHDSACASA-N 378.561 3.784 0 40 GHAB COc1ccccc1/C=C(/C(=O)OCC(=O)NCc1ccco1)c1ccccc1 2635459 ZYRRMDFIVNWMIN-XSFVSMFZSA-N 391.423 3.688 0 40 GHAB CC(C)C(=O)Nc1ccccc1SC[C@@H](O)Cn1ccc(C(F)(F)F)n1 3125871 YAQIDWGFTZLBDX-LBPRGKRZSA-N 387.427 3.650 0 40 GHAB NC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 3217385 JHZOEAMDVAOQOJ-UHFFFAOYSA-N 388.452 3.952 0 40 GHAB COC(=O)c1c(NC(=O)CSc2ncnc3ccccc23)sc(C)c1C 3296810 PCUZZICZFNHGJU-UHFFFAOYSA-N 387.486 3.826 0 40 GHAB COc1ccc2cc(CCNC(=O)c3ccc(Cl)cc3Cl)c(=O)[nH]c2c1 4032867 QWYZMFINPMGXOH-UHFFFAOYSA-N 391.254 3.816 0 40 GHAB Cc1cc(=O)oc2cc(OC[C@@H]3CC(c4ccc(N(C)C)cc4)=NO3)ccc12 4079940 JQEUCPJVXCGZKL-SFHVURJKSA-N 378.428 3.739 0 40 GHAB biogenic O=C1c2cccc3cccc(c23)C(=O)N1CCCN1CCN(c2ccccc2)CC1 4193885 ZHFWJNDWTUOXAY-UHFFFAOYSA-N 399.494 3.648 0 40 GHAB COc1ccccc1N1CCN(C(=O)Cc2c(C)[nH]c3ccc(C)cc23)CC1 4749292 TXQRFTUBGXLBIC-UHFFFAOYSA-N 377.488 3.685 0 40 GHAB O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Br)cc1 5022377 PCTHQAQYEAGXLE-CQSZACIVSA-N 391.221 3.585 0 40 GHAB COc1ccc(C(=O)COC(=O)/C=C/c2ccc(Br)o2)cc1F 5185011 ZSNHKJLVFSCSBW-QPJJXVBHSA-N 383.169 3.629 0 40 GHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(OC)ccc(C)c3s2)c1 5241466 AWHFEVGVBSDORP-UHFFFAOYSA-N 390.486 3.659 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(C[C@H]1CCCO1)C3=O 5252397 QMDYBWPLWCDYNP-JLTOFOAXSA-N 393.414 3.965 0 40 GHAB COc1ccc(CNC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1 5680872 JMRKTBKANOQASN-UHFFFAOYSA-N 398.484 3.695 0 40 GHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)s1 6478442 NKKBIVJWVJAZRF-OVCLIPMQSA-N 388.426 3.884 0 40 GHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCc2ccccc21 6553622 HVRKSMFBOMKVHG-UHFFFAOYSA-N 387.464 3.714 0 40 GHAB CCCCN1C(=O)/C(=C\c2ccc(Br)cc2)C(C(=O)OC)=C1C 6647077 FIXMABAYEFWDJA-PTNGSMBKSA-N 378.266 3.922 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1cc(C)ccc1C)S2 6811815 WJRYYLHDJNRAKA-OALUTQOASA-N 393.516 3.855 0 40 GHAB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 7057946 VMVWTADVFMEMNE-HOTGVXAUSA-N 383.492 3.592 0 40 GHAB CC[C@H](C)[C@H](NC(=O)c1ccc(OCc2ccccc2)c(OC)c1)C(=O)OC 7191811 UHQOJUCHQFFUFB-YWZLYKJASA-N 385.460 3.592 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)c1ccc(OCc2ccccc2)c(OC)c1)C(=O)OC 7191813 UHQOJUCHQFFUFB-MGPUTAFESA-N 385.460 3.592 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1nn(-c2ccccc2)nc1C 7293010 YUEMGRDOVJELTN-UHFFFAOYSA-N 392.459 3.803 0 40 GHAB CCCSc1nnc(SCC(=O)Nc2cc(OC)ccc2OC)s1 7397379 JCSHSMHGGYIIET-UHFFFAOYSA-N 385.536 3.788 0 40 GHAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(C(=O)c2cccs2)CC1 7899891 PYMGTDVMRPKSCD-UHFFFAOYSA-N 394.496 3.925 0 40 GHAB Cc1[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c2c(=O)c1Cc1cccc(Cl)c1 8020987 GQCKOUWNRYILMQ-UHFFFAOYSA-N 383.810 3.699 0 40 GHAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccccc1Br)c1ccccc1 8088541 GUAGKTWWAAHVET-SCLBCKFNSA-N 389.293 3.894 0 40 GHAB CCN(Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 8214200 JSHGDJKTWCCBOS-AWEZNQCLSA-N 387.455 3.642 0 40 GHAB CC(C)n1nc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c2ccccc2c1=O 8274319 WPOSYCSLJVQXJP-UHFFFAOYSA-N 385.807 3.581 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CSc1nc2ccccc2s1 8313770 YZHJYSFWFRWAQR-UHFFFAOYSA-N 389.477 3.625 0 40 GHAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc21 8587158 JTEQSRVDXJKKPA-UHFFFAOYSA-N 378.881 3.613 0 40 GHAB COc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3)n2C)c1 9594415 QXVCIZJGOVFEJI-GFCCVEGCSA-N 386.452 3.749 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10364499 QXBCZCKUDXJKKT-CQSZACIVSA-N 394.924 3.835 0 40 GHAB O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1cccc2ccccc12 11697792 AFQCFYQKJCSVDR-UHFFFAOYSA-N 384.443 3.610 0 40 GHAB CC(C)Cc1cc(C(=O)N2CCC[C@@H](c3ncncc3-c3ccncc3)C2)no1 12088570 YLHQYTAWFGRLBH-QGZVFWFLSA-N 391.475 3.745 0 40 GHAB O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cccc(Cn2ccnc2)c1 12143748 ISYDRWOUWBMMKS-UHFFFAOYSA-N 393.447 3.765 0 40 GHAB Cc1noc(C)c1-c1nc(NCC(C)(C)CN(C)C)ncc1-c1ccncc1 12222758 PHYDQCKOQPQFRD-UHFFFAOYSA-N 380.496 3.810 0 40 GHAB CCC(=O)N1CCCc2cc([C@@H](O)CN3CCC(C(F)(F)F)CC3)ccc21 12291591 BRNNJBRJPJHROI-SFHVURJKSA-N 384.442 3.684 0 40 GHAB Cc1ccc(-c2nc(CSc3nnnn3CCc3cccs3)no2)cc1 12768056 GCAAHRVISLGJQQ-UHFFFAOYSA-N 384.490 3.628 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 12776014 MNDXPLXDWIMYEO-QGZVFWFLSA-N 396.871 3.579 0 40 GHAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc12 12794857 WGPOYKGLWXDBEA-UHFFFAOYSA-N 389.440 3.817 0 40 GHAB CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 12887326 GDAXRUXXPGUTBD-FQEVSTJZSA-N 384.501 3.512 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(C)(=O)=O)cc1 12919758 HKLHGTFJMKUJDB-JTQLQIEISA-N 388.272 3.803 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)c2cccc(OC[C@H]3CCCO3)c2)c(C)c1 12929263 SYXYHVQVTIYJKQ-HXUWFJFHSA-N 396.487 3.538 0 40 GHAB Cc1[nH]c2ccc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc2c1C 13018139 SOZOFWIXCYQNJG-UHFFFAOYSA-N 377.488 3.547 0 40 GHAB Cc1ccc(C(=O)Oc2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 13136926 MAPJGBSSDCJHBD-NFQUHZNNSA-N 375.424 3.750 0 40 GHAB CCOc1ccccc1-c1nnc(SCC(=O)NCc2ccccc2)n1CC 14085540 KABZVDQIBMMAHK-UHFFFAOYSA-N 396.516 3.772 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1cccc2cccnc12 14200106 KSXZLDVKDVYGLW-UHFFFAOYSA-N 376.412 3.998 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)n1cccc/c1=N\C1CCCCC1 14729012 QMSHIXSZVVNFLN-BSYVCWPDSA-N 379.460 3.750 0 40 GHAB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1ccco1 15215989 MAJHQGKFLBPMMU-VBKFSLOCSA-N 389.363 3.852 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)CNc2ccc(C(F)(F)F)cc2)cc1 15291645 OSRJONVPXSURNK-UHFFFAOYSA-N 379.382 3.523 0 40 GHAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1)N1CCCCC1 15673693 HPCWJTUCAYPSQC-PMACEKPBSA-N 387.568 3.968 0 40 GHAB biogenic,in-vitro COc1ccc([C@H](C)NCC(=O)NCCSCc2cccs2)cc1F 16695513 ZYYIDRFCVUNLKF-ZDUSSCGKSA-N 382.526 3.596 0 40 GHAB CN1CCc2nc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)sc2C1 18104041 CYZQZMJEVJWSFI-UHFFFAOYSA-N 388.493 3.730 0 40 GHAB COc1ccccc1C(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1cc(C)no1 19121414 ZMUXSQXRVQUOFS-QGZVFWFLSA-N 380.448 3.760 0 40 GHAB CN1CC[C@@H](c2ncc3c(n2)CCN(C(=O)c2ccccc2-c2ccccc2)C3)C1 19588011 PSPWQVNTLNIIPR-LJQANCHMSA-N 398.510 3.761 0 40 GHAB Cc1cc(N)n(-c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)n1 19660700 GHEMTQOOIBAHRV-UHFFFAOYSA-N 376.445 3.534 0 40 GHAB COc1ccc2[nH]cc(C(=O)CN3CCN(C/C=C/c4ccccc4)CC3)c2c1 19939910 JLFDNCCINWMMKE-VMPITWQZSA-N 389.499 3.690 0 40 GHAB O=C(O)C1CCN([C@@H]2C(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)CC1 20102541 ZZCBMVDTMVTKTJ-MOPGFXCFSA-N 384.863 3.589 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)C1CCN(C(=O)C(C)(C)C)CC1 21511449 COBMIWMOQXJDCL-HNNXBMFYSA-N 398.503 3.875 0 40 GHAB O=C(Cc1cc(O)nc(SCc2ccccc2F)n1)Nc1ccc(F)cc1 23243024 YNSCJWXEAKAWOQ-UHFFFAOYSA-N 387.411 3.934 0 40 GHAB CN1CCN(C(=O)Cc2c(Cl)cccc2Cl)c2nc3ccccc3nc21 25089930 PBRIXWVZDLXGCG-UHFFFAOYSA-N 387.270 3.962 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)c(Cl)c1 25224498 CNIRXEDNVVXCHY-SFHVURJKSA-N 381.863 3.594 0 40 GHAB CCc1cccc(C)c1N(COC)C(=O)Cn1c([C@@H](C)O)nc2ccccc21 27792422 FUGZORVSOATEIU-MRXNPFEDSA-N 381.476 3.598 0 40 GHAB Cc1ccc2oc(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc(=O)c2c1 28288195 XXBULHWIZHXRNI-MRXNPFEDSA-N 382.485 3.730 0 40 GHAB COc1cc(Cn2c(=O)nc(-c3cccs3)c3nc(C)sc32)cc(OC)c1 32616327 OYOYZPLNWUUWQS-UHFFFAOYSA-N 399.497 3.955 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1 32644250 JYWUGQOGMQYTBO-UHFFFAOYSA-N 391.276 3.916 0 40 GHAB CCOc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)cc1OC 32678528 SUGCSFGLWKCFKU-LJQANCHMSA-N 388.439 3.626 0 40 GHAB COc1ccc([C@H](C)NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1F 32863144 VONHIWVPMWFUFH-HNNXBMFYSA-N 399.466 3.956 0 40 GHAB O=C1N/C(=C/c2cccn2-c2ccccc2F)C(=O)N1Cc1ccccc1F 33162100 WPBKMFWSTPDBJK-LDADJPATSA-N 379.366 3.848 0 40 GHAB CCCn1c(NC(=O)CCCNC(=O)NC2CCCCC2)nc2ccccc21 39548470 ONZICJSQCZJMIQ-UHFFFAOYSA-N 385.512 3.797 0 40 GHAB Cc1cc(N2CCOCC2)ccc1NC(=O)NCCO[C@@H]1CCCC[C@@H]1C 40105569 KFEGTKPMKMERGC-OXJNMPFZSA-N 375.513 3.548 0 40 GHAB C[C@H]1CCc2nc(NC(=O)CCNC(=O)c3ccc(F)cc3Cl)sc2C1 40130969 KXGDOPHDQQIKKF-JTQLQIEISA-N 395.887 3.819 0 40 GHAB CSc1nccn1-c1ccc(C(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 40140625 RPHUGVOBPUMPQS-UHFFFAOYSA-N 395.440 3.778 0 40 GHAB Cc1ccc(C(=O)NC2CCN(Cc3nc(-c4ccccc4)no3)CC2)s1 40955924 PJONVFLREBYBHY-UHFFFAOYSA-N 382.489 3.501 0 40 GHAB CS(=O)(=O)Cc1ccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1 45864817 CGJZUMAFGNLBNX-UHFFFAOYSA-N 395.883 3.829 0 40 GHAB O=C(N[C@@H]1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 47172954 NPJNFFWJTZMSFB-QGZVFWFLSA-N 376.378 3.771 0 40 GHAB O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccc1CN1CCOCC1 48149721 PISUBHPMKSYUNL-UHFFFAOYSA-N 382.548 3.742 0 40 GHAB Cc1ccc(-c2nc(C)c(C(=O)NCc3ccnc(-n4ccnc4)c3)s2)o1 48355222 HQWLZYCZKQSNMH-UHFFFAOYSA-N 379.445 3.531 0 40 GHAB CCS(=O)(=O)c1ccc2oc([C@H]3CCN(Cc4ccc(F)cc4)C3)nc2c1 49169121 SVTSSKZBQAINEI-HNNXBMFYSA-N 388.464 3.750 0 40 GHAB biogenic,in-vitro Cc1nn(C)c(Cl)c1/C=C/C(=O)Oc1ccccc1C(=O)NC1CCCC1 54473815 SDQMNZWTYKDCGB-VAWYXSNFSA-N 387.867 3.673 0 40 GHAB C[C@@H](S[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1)C(=O)NC1CC1 56230001 RTASUKSPDOELNG-NXEZZACHSA-N 389.502 3.706 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1Cl 57421397 QEBZYWQOUDPXSM-JKSUJKDBSA-N 387.911 3.751 0 40 GHAB Cc1ccc(Cn2nc(C)c(C(=O)N3CC[C@H](N4CCCC4)C3)c2Cl)cc1 58343913 KWULUNMTPVLVBM-SFHVURJKSA-N 386.927 3.512 0 40 GHAB CCc1oc2ccccc2c1/C=C/C(=O)Nc1cccnc1N1CCOCC1 65825664 RUPCVKRMAYBLCW-MDZDMXLPSA-N 377.444 3.879 0 40 GHAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccccc1C(=O)N1CCCCC1 70701981 ZFPNYTSYEFEJQD-IBGZPJMESA-N 378.428 3.553 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](c1noc([C@H]2CC(c3ccccc3)=NO2)n1)C1CC1 71905137 NMAFZUFXGHJUQN-HZPDHXFCSA-N 384.436 3.911 0 40 GHAB Cc1nnc(NC(=O)COc2cccc(-c3nc(-c4ccccc4)no3)c2)s1 72242813 CDNHBVZRNXAICZ-UHFFFAOYSA-N 393.428 3.581 0 40 GHAB Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4c(C)n(C)c5ccccc45)C[C@H]32)nc1 72392567 QPXYGZJKRXIGHV-VNZMSGEBSA-N 375.516 3.920 0 40 GHAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(O)c(Cl)c1 79188692 KIKZSKMYILLQKQ-CRAIPNDOSA-N 386.787 3.608 0 40 GHAB biogenic CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(CS(C)(=O)=O)o2)o1 83825438 YSBLNIRYSTVISD-INIZCTEOSA-N 379.478 3.737 0 40 GHAB C[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(-n2ccnc2)cc1 95350797 BYNQRZLEZKRIPD-DYESRHJHSA-N 376.460 3.716 0 40 GHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@H](O)c1ccc(F)c(F)c1 95365095 QSGNNGAZZRTRDI-FQEVSTJZSA-N 393.384 3.869 0 40 GHAB CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 96006705 IUBTWSUXHLYOJE-HNNXBMFYSA-N 398.315 3.535 0 40 GHAB Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)NCc1ccccn1 96147585 MMLWCLPFTDVQDL-UHFFFAOYSA-N 384.443 3.551 0 40 GHAB O=C(c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12)N1CCC(O)CC1 96154749 CEUFPBMRKPJLEW-UHFFFAOYSA-N 378.476 3.515 0 40 GHAB CCS(=O)(=O)[C@](C)(Br)[C@@H](O)c1ccc(Cl)cc1Cl 96521413 PNUUCKDUJWXICH-QWRGUYRKSA-N 376.099 3.573 0 40 GHAB O=C1C[C@H](Nc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 101076866 WLNULOKRCNYSEM-AWEZNQCLSA-N 379.641 3.847 0 40 GHAB CN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 107175026 VZDDYUWVNMROSI-CGYQNGNCSA-N 390.414 3.794 0 40 GHAB COc1ccccc1CCCNC(=O)COc1ccc(Br)c(C)c1 218825515 DCJUSMSXTRMVNE-UHFFFAOYSA-N 392.293 3.894 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C)c(C)c3)n2)cc1 219522856 IQHMBUQKNWXEGA-INIZCTEOSA-N 395.459 3.788 0 40 GHAB CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1ccccc1F)S(C)(=O)=O 220591187 RZLHKJVAJXDXDZ-MRXNPFEDSA-N 398.887 3.971 0 40 GHAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O 223261204 HVLCTMPHTFYEAB-HSZRJFAPSA-N 396.531 3.961 0 40 GHAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 223672100 FMECACPWVOFNKD-UXHICEINSA-N 398.532 3.534 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl 223832818 HPUCYEAESORNLQ-CYBMUJFWSA-N 394.849 3.714 0 40 GHAB CN(c1cccc(C(=O)N2CCCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 224266281 HFRBDYFCEWUROZ-UHFFFAOYSA-N 392.908 3.791 0 40 GHAB COc1cccc(CCCNC(=O)c2cccc(I)c2)c1 224964362 PVCDNHSOAFYDJR-UHFFFAOYSA-N 395.240 3.662 0 40 GHAB CCn1c(=O)sc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21 225099311 UDNAUZQUAGJATL-UHFFFAOYSA-N 382.894 3.678 0 40 GHAB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccco1)Nc1ccccc1 225520251 UNAVLGONGBGBFF-PMACEKPBSA-N 392.484 3.676 0 40 GHAB COC(=O)c1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1OC(C)C 225769228 LJGREONSMXKOKQ-UHFFFAOYSA-N 397.471 3.947 0 40 GHAB Cn1nccc1CN1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 257230783 GDXNWXUHOCVSTA-OAQYLSRUSA-N 382.895 3.633 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(F)cc2)[C@@H]1c1ccccc1OC 257288114 PSWZNCUEQQASBB-KNQAVFIVSA-N 398.478 3.793 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257329250 XJBXMVVYKZCECZ-GFCVIOQMSA-N 381.520 3.669 0 40 GHAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@H]1CCCO1 260924287 TZJJALFKIRMXNV-NSISKUIASA-N 384.549 3.835 0 40 GHAB Cc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(CC(C)C)nc23)s1 306125126 CHUGOUCNHNZWFA-UHFFFAOYSA-N 386.565 3.528 0 40 GHAB COc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)cc1 306126438 DVWXTTQKPJHZCK-OAQYLSRUSA-N 381.501 3.795 0 40 GHAB CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)O[C@H](C)CC)C1=O 408601214 JCBNYKJRTHNAEJ-KWWJGWKXSA-N 377.462 3.853 0 40 GHAB CCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 408987353 WQVIDKTZXOTMRR-LJQANCHMSA-N 381.501 3.907 0 40 GHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c1 409332258 GLYIGMDPKMIWIB-WOJGMQOQSA-N 396.468 3.987 0 40 GHAB Cn1nc(-c2ccccc2)c2c(NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)[nH]nc21 514620866 DCGRXQHFRMPZJG-NWDGAFQWSA-N 377.370 3.881 0 40 GHAB COc1cc2c(cc1OC)[C@H](NC(=O)CCn1ccc3cccc(OC)c31)CC2 583652523 MOOJVRFXGLLDKA-GOSISDBHSA-N 394.471 3.861 0 40 GHAB O=S(=O)(Cc1noc([C@H]2CCOc3ccc(Cl)cc32)n1)c1ccccc1 585084315 IRTKPOYJRQUNFB-AWEZNQCLSA-N 390.848 3.611 0 40 GHAB O=C(NCc1ccccc1CC(F)(F)F)NC1CCN(c2ccccn2)CC1 623471626 IGHLJWFNASZQJK-UHFFFAOYSA-N 392.425 3.655 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)s1 1565523021 XQQHKEZUDPYQCN-UHFFFAOYSA-N 386.521 3.749 0 40 GHAB O=C(/C=C/c1cccs1)N1CC[C@@H]2OCCC[C@]2(COCc2ccncc2)C1 1565543121 YOKBFSPKOKMFLS-HLFKLIKESA-N 398.528 3.771 0 40 GHAB Cc1nc(C(=O)N2CCc3sc(COCc4cccnc4)cc3C2)cs1 1565554360 PKTOALMSVBMJQY-UHFFFAOYSA-N 385.514 3.823 0 40 GHAB Cn1nccc1CCC(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615125704 GLIBVPYSMWQGGN-JOCHJYFZSA-N 384.499 3.542 0 40 GHAB COC(=O)c1ccc(OCCN2CCC[C@H](c3nnc(C)s3)C2)c(Cl)c1 1889139488 YQDLUWXTZPZFEE-AWEZNQCLSA-N 395.912 3.545 0 40 GHAB Cc1ccc(OCC2(O)CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1C 2037916232 XRKXOXLLSIWMFJ-UHFFFAOYSA-N 375.415 3.628 0 40 GHAB CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)NC2Cc3ccccc3C2)s1 36359106 NSLRSMQXZAUFBM-UHFFFAOYSA-N 385.533 3.748 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)NC2CCCC2)nnc1-c1ccccn1 1362760 GSLHLEUXYLGHBB-UHFFFAOYSA-N 393.516 3.789 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 6946286 FAIPPUGOJSJWKJ-SFHVURJKSA-N 388.533 3.804 0 40 GHAB COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)no1 7604995 LDOGBDVZIBOKOB-UHFFFAOYSA-N 383.429 3.562 0 40 GHAB CCCc1nc2sc3c(N4CCN(CC)CC4)ncnc3c2c2c1CCC2 2448710 HMXZMQVGTFTGSC-UHFFFAOYSA-N 381.549 3.823 0 40 GHAB Cc1cc(C)cc(NCC(=O)Nc2cccc(I)c2)c1 32679633 JBZGKNJLEAJSIT-UHFFFAOYSA-N 380.229 3.959 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)NCC3(c4ccccc4)CC3)CC2)c(F)c1 10262961 NHEVQHZUXPDDEM-UHFFFAOYSA-N 395.478 3.592 0 40 GHAB CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(C)c(C)c1 8414328 YDYLFZMJGDTZQK-UHFFFAOYSA-N 382.460 3.766 0 40 GHAB COCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(C)c(Cl)c2)n1 8477009 ROMCHBZBYMTHKJ-UHFFFAOYSA-N 384.867 3.581 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccc(Cl)cc1Cl 32777427 VZCARCFKCDHGKV-CHWSQXEVSA-N 379.291 3.877 0 40 GHAB CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)cc1OCC 54945743 MDSKKSFXKUTACW-WMZOPIPTSA-N 390.524 3.698 0 40 GHAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3cnn(-c4ccccc4)c3)o2)cc1 21997814 OMMPCEBADFGEIH-AWEZNQCLSA-N 390.399 3.849 0 40 GHAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OC)C2=O)cc1 108000985 ZJOOWDSLRFHQNH-PDGQHHTCSA-N 396.468 3.933 0 40 GHAB CN(Cc1ccccc1)C[C@@H](O)CSc1nc(C2CC2)n(-c2ccccc2)n1 60368082 MZZSOHZGTQWCCM-HXUWFJFHSA-N 394.544 3.730 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)cc1)C(=O)[C@@H]1C(=O)Nc2ccccc21 103445604 JRFSJCQKQFCANB-HXUWFJFHSA-N 386.407 3.509 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1C 22331109 VQBKSGLFCMVOCG-HNNXBMFYSA-N 394.924 3.600 0 40 GHAB CC(C)(C)c1ccc(OCc2nnc(SCCc3ccccn3)n2N)cc1 23138474 BVUICOVFVHWHDB-UHFFFAOYSA-N 383.521 3.598 0 40 GHAB COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(OC(F)F)c(OC)c1 25062833 JYBOKSXUKWOZLZ-UHFFFAOYSA-N 391.370 3.676 0 40 GHAB CN(C)c1nc2sc(C(=O)Nc3ccc4c(c3)OCCCO4)cc2s1 54286924 BZUBXDUVKTTXCV-UHFFFAOYSA-N 375.475 3.837 0 40 GHAB Nn1c(COc2ccccc2F)nnc1SCc1c(F)cccc1Cl 23601760 ZVZXZQALEJLLMU-UHFFFAOYSA-N 382.823 3.795 0 40 GHAB CCc1noc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1 100155804 JUVLDLRKEHRXRQ-GASCZTMLSA-N 395.463 3.694 0 40 GHAB COCc1nnc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)s1 61719948 GUAVFUOIWXTPPS-UHFFFAOYSA-N 378.457 3.940 0 40 GHAB CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(-n2cnnn2)c1 55927353 LDRBCHYEWOWJDH-UHFFFAOYSA-N 376.247 3.631 0 40 GHAB O=C(CC12CC3CC(CC(C3)C1)C2)NC[C@H](c1cccs1)N1CCOCC1 25463433 MKPJYHAGNPHNIC-RQJZOYDLSA-N 388.577 3.844 0 40 GHAB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)NCCc1cn2ccccc2n1 25529229 ZIYPUQSYNXGJCF-QPJJXVBHSA-N 379.847 3.679 0 40 GHAB Cc1c(C)c2ccc(OCC(=O)c3ccc4c(c3)OCCCO4)cc2oc1=O 35686369 XNOCRNQFMHGESY-UHFFFAOYSA-N 380.396 3.833 0 40 GHAB C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nc4ccccc4s3)cc2)C[C@@H](C)O1 3183155 ZMVSSGNWNQCKSA-ZIAGYGMSSA-N 388.514 3.761 0 40 GHAB Cc1ccc(CNC(=O)Nc2cc(Br)ccc2-n2cncn2)cc1 58393098 SHPNCOJPTPKGPI-UHFFFAOYSA-N 386.253 3.660 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3217446 YTMMGGRJTHSNOH-UHFFFAOYSA-N 397.839 3.970 0 40 GHAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)c1 3273568 SQQQBFIRPQPDOI-UHFFFAOYSA-N 378.881 3.923 0 40 GHAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)cn2)n1 48166575 ZLSGPBLGXUYUOJ-CYBMUJFWSA-N 393.472 3.569 0 40 GHAB CNC(=O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 3302245 NAKAZYSLIDABSD-UHFFFAOYSA-N 399.244 3.567 0 40 GHAB C[C@@H](NCC(=O)Nc1cc2c(cc1Cl)OCCO2)c1ccc(F)c(F)c1 12789458 SGCPSIHQLYLSMW-SNVBAGLBSA-N 382.794 3.679 0 40 GHAB COc1cc(C(=O)NC[C@H](c2ccco2)N(C)C)ccc1OCc1ccccc1 12784681 WYMRPFDYVXPFGH-LJQANCHMSA-N 394.471 3.900 0 40 GHAB O=C(COc1ccc(Cl)cc1)NCc1cccc(NC(=O)c2ccncc2)c1 48374637 GBXPRWSBDZVKLM-UHFFFAOYSA-N 395.846 3.683 0 40 GHAB O=C(Nc1cccc(Br)c1)[C@H]1CCCN(C(=O)c2ccoc2)C1 12800642 FKXYWHAZNGFAQL-LBPRGKRZSA-N 377.238 3.533 0 40 GHAB O=c1c2ccsc2ncn1CCOc1ccc(Cl)cc1Br 12938336 ODMROCSHXZKLGI-UHFFFAOYSA-N 385.670 3.953 0 40 GHAB CC[C@]1(c2ccccc2)NC(=O)N(CN2CC=C(c3ccccc3)CC2)C1=O 13098016 FZCKJERWTPMAHW-HSZRJFAPSA-N 375.472 3.591 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl 13031373 SBIRNVLUGPMSQT-DTORHVGOSA-N 379.671 3.988 0 40 GHAB CCN(CC)c1ccc(-c2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)cc1 4038456 IHNSNLDESXQRAG-UHFFFAOYSA-N 379.493 3.578 0 40 GHAB COc1cc2s/c(=N\C(=O)COc3c(C)cccc3C)[nH]c2c2cccnc12 13685872 NCKYBJNDYQXLIZ-UHFFFAOYSA-N 393.468 3.909 0 40 GHAB CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1)C(C(=O)OC)=C(C)N2 4292266 BTPHHBWZIXZVBI-MRXNPFEDSA-N 399.516 3.975 0 40 GHAB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2c(F)cccc2Cl)NC(=O)N1 6560712 NHVZOQSFQWJRMU-INIZCTEOSA-N 377.778 3.885 0 40 GHAB Cc1cccc(N(C)C(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)c1 67236094 ZFBRSWWOUAKENJ-UHFFFAOYSA-N 384.505 3.677 0 40 GHAB COc1cccc(CNC(=O)N2CCCC[C@@H]2c2nc(-c3ccncc3)no2)c1 67350662 BVVXCMXKCMBNMW-GOSISDBHSA-N 393.447 3.577 0 40 GHAB COc1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc(OC)c1OC 15600582 MTLHZIJZGVHDRK-UHFFFAOYSA-N 396.399 3.810 0 40 GHAB CCN(CC(=O)Nc1ccccc1OC)Cc1ccc(OC(F)F)c(OC)c1 7361018 JLFWCOAOTRAMFV-UHFFFAOYSA-N 394.418 3.766 0 40 GHAB Cc1c(Br)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)nn1C 28304223 QIMXBKASIPOGPH-UHFFFAOYSA-N 378.148 3.642 0 40 GHAB Cc1ccc(NC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)cc1F 7774653 DEZPNMCFVMXIJL-UHFFFAOYSA-N 398.463 3.851 0 40 GHAB O=C(Nc1ccc(N2CCCCCC2)cc1)Nc1ccc(N2CCOCC2)nc1 68579391 ZGAXBGXKBNNCON-UHFFFAOYSA-N 395.507 3.943 0 40 GHAB Cc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5ccco5)CCO4)nnn3c2)cc1 306126477 DXCCOOCBAPWPAN-HXUWFJFHSA-N 388.427 3.511 0 40 GHAB C[C@H](Oc1ccc(F)cc1)C(=O)N(C)CC(=O)Nc1cccc2ccccc12 8156782 ZNWNXJPKEDZNDN-HNNXBMFYSA-N 380.419 3.843 0 40 GHAB CCOC(=O)c1cnc2ccc(C)cc2c1OCC(=O)c1cccc(OC)c1 19897590 VKLKWHTWBHISSW-UHFFFAOYSA-N 379.412 3.990 0 40 GHAB CCc1ccc(NC(=O)CN2C(=O)N[C@@](CC)(c3ccc(Cl)cc3)C2=O)cc1 9747763 LBBSYJLFOUKTQL-NRFANRHFSA-N 399.878 3.698 0 40 GHAB CCCC[C@@H](C(=O)Nc1cc(C)on1)N(C)Cc1nc2ccccc2n1CC 72308268 DXQJDYYZIKKMET-SFHVURJKSA-N 383.496 3.982 0 40 GHAB O=C(OC1CCCCCCC1)c1cnc2ccc(Br)cn2c1=O 84494132 OYRFWICPGXTPAQ-UHFFFAOYSA-N 379.254 3.727 0 40 GHAB C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)NCc1cccc(C(N)=O)c1 84637163 PZRPSKIVPJAHME-QFBILLFUSA-N 389.540 3.833 0 40 GHAB CN(C)c1cc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)ccn1 95393008 GUVXAKSEFLRGJQ-UHFFFAOYSA-N 386.455 3.603 0 40 GHAB CCCCCCOc1cccc(CNCCNc2cc(C)nc3ncnn23)c1 78869796 FKGBRVOLOCIENM-UHFFFAOYSA-N 382.512 3.594 0 40 GHAB CN(Cc1ccccc1C(F)(F)F)C(=O)C(=O)Nc1ccc2c(c1)CCC2 89361446 FKYNDWVVSUUSNL-UHFFFAOYSA-N 376.378 3.791 0 40 GHAB CN1CCN(Cc2cccc(F)c2)C[C@H]1c1cn2c(N3CCCC3)cccc2n1 306131500 KGTGBKQPTLAEPH-NRFANRHFSA-N 393.510 3.562 0 40 GHAB O=C1NC2(CCN(Cc3cccc(Cl)c3)CC2)N=C1c1cccc(Cl)c1 35430902 GQDJDRNWBHUWLF-UHFFFAOYSA-N 388.298 3.905 0 40 GHAB Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 1534018174 WBPSDIUWLPFBCE-OALUTQOASA-N 386.471 3.654 0 40 GHAB Cc1ccc(N2C(SCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 32640601 LDDNTKXJECLREG-PKOBYXMFSA-N 386.542 3.578 0 40 GHAB COc1ccc(CCNS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225406716 JRCALKAQLCPCJI-UHFFFAOYSA-N 377.506 3.657 0 40 GHAB COc1cc(Nc2ncnc3c2cnn3C2CCNCC2)cc(C(F)(F)F)c1 228924179 TZYDZEKQRQOXGV-UHFFFAOYSA-N 392.385 3.522 0 40 GHAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 223477771 XGJIIGMGUALQLR-IFMALSPDSA-N 398.478 3.601 0 40 GHAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)ccc1C 223857129 FZGGHGLVLZIESH-UHFFFAOYSA-N 388.272 3.567 0 40 GHAB O=C(N1CCN(C/C=C/c2ccccc2)CC1)C1(c2ccccc2)CCOCC1 192492904 FXTQOHWJEJIWCC-JXMROGBWSA-N 390.527 3.592 0 40 GHAB CSc1nnc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)s1 223664041 GQSIRPNTWNLFLY-GFCCVEGCSA-N 382.942 3.764 0 40 GHAB O=c1ccn(-c2ccc(F)c(F)c2)nc1-c1nc(-c2ccc(Cl)cc2)no1 49006398 HMIUTXWACIMGLA-UHFFFAOYSA-N 386.745 3.881 0 40 GHAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3sc4c(c3C(N)=O)CCCCC4)C(=O)[C@@H]21 222486471 HDCVDXPMWRFFCF-RMHZUWNSSA-N 398.528 3.598 0 40 GHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1 225693120 OOFUIZZJRTYEGU-INIZCTEOSA-N 388.458 3.697 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 225211451 CXOPBECGYQKVFR-QGZVFWFLSA-N 382.504 3.526 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 49550755 MSITYCGMVDUSDZ-SECBINFHSA-N 397.287 3.714 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 222500020 KGLAYHIWUVRSCB-GCJKJVERSA-N 396.531 3.960 0 40 GHAB COc1cc(CCC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc(OC)c1 40030741 SXSLAAUASLXKFT-UHFFFAOYSA-N 381.472 3.758 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 224121229 TWVTXMLDLPCIJI-NRFANRHFSA-N 382.504 3.626 0 40 GHAB Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224884780 GNOXMTPANRGCAE-ROUUACIJSA-N 384.892 3.956 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21 96241972 CUSGSXYVUCTTFY-SFHVURJKSA-N 383.536 3.638 0 40 GHAB CCS(=O)(=O)c1sc2[nH]nc(N)c2c1-c1ccc(Cl)cc1Cl 96532197 OMUVRKAGVUEPSD-UHFFFAOYSA-N 376.290 3.974 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344831 OREFGGSJVBCRPI-LLVKDONJSA-N 388.349 3.573 0 40 GHAB COc1cccc(C2=N/C(=C/c3ccc(F)c(Br)c3)C(=O)O2)c1 97987552 WEKNWIBFJSISII-OVCLIPMQSA-N 376.181 3.941 0 40 GHAB COc1ncc(CN2[C@H]3CC[C@@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)cn1 247822500 DRDUKHPRXXCAAB-QILLFSRXSA-N 393.409 3.936 0 40 GHAB CN1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnn1C 257271101 MWVZUWCCLIDRMA-QMDPOKHVSA-N 392.547 3.509 0 40 GHAB C[C@@H](NC(=O)N1C[C@@H](C(=O)O)[C@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl 263243704 OCYNRQDVSVZNNV-SZEHBUNVSA-N 399.196 3.959 0 40 GHAB O=C(C(c1ccccc1)c1ccccc1)N1CC(S(=O)(=O)C2CCCCC2)C1 96104351 DKPCNGVDXCJBMM-UHFFFAOYSA-N 397.540 3.777 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccc(C(F)(F)F)nc1 390828489 BFCLAPGSLPULJD-LBPRGKRZSA-N 382.363 3.885 0 40 GHAB O=C(NCCc1cccc(F)c1)NC[C@H]1CCCN(Cc2cccs2)C1 60244750 LTHJRCCCJZGBTK-QGZVFWFLSA-N 375.513 3.641 0 40 GHAB CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1cccnc1 68304266 IJSXUUNJDOWHSJ-UHFFFAOYSA-N 395.484 3.573 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3ccc(Cl)cc3)C2)CN1c1cccc(F)c1 1615158443 RZSJUQNDOOJFRU-OAQYLSRUSA-N 388.870 3.877 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2OC(F)F)NC(=S)N1 5787854 ZKIQQMYBELRCES-INIZCTEOSA-N 389.427 3.720 0 40 GHAB C/C=C/c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)CC)cc2)c(OC)c1 11542211 ZOKJENCVJOIAIM-GQCTYLIASA-N 389.473 3.539 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)c1 12862971 ONZOTLKHSIPBCM-GOSISDBHSA-N 375.472 3.814 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(Cc2ccc(OC(C)C)cc2)c2c(C)cc(C)cc21 13568762 ORVLYHBKNPZAGK-HSZRJFAPSA-N 381.472 3.804 0 40 GHAB CCn1cc(CN2CCO[C@@H](c3ccc(-c4cccc(OC)c4)cn3)C2)cn1 19693618 ZJOFFAYBTVCCPZ-JOCHJYFZSA-N 378.476 3.547 0 40 GHAB FC(F)(F)C1(c2nc(-c3ccc(Oc4ncccn4)cc3)no2)CCOCC1 664740004 GBPMSUHCGYLHIY-UHFFFAOYSA-N 392.337 3.929 0 40 GHAB O=C(COCc1nc2ccccc2s1)NCc1coc(-c2cccs2)n1 10880001 WTSZDDSLLUWPGN-UHFFFAOYSA-N 385.470 3.846 0 40 GHAB COc1ccc(CCN(C)C(=O)CCc2cnn(-c3ccccc3)c2)cc1OC 30779853 BQOQIZZOBVEWJI-UHFFFAOYSA-N 393.487 3.523 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CSc1ccc3ccccc3n1)CC2 630374 CSYHJYHPJMKKCV-UHFFFAOYSA-N 394.496 3.929 0 40 GHAB COc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)c3ccco3)nc12 5122662 JPWPFCAXPBSXAQ-UHFFFAOYSA-N 389.477 3.505 0 40 GHAB Cn1c(N2CCC(COc3cccc(C(F)(F)F)n3)CC2)nc2cccnc21 1775968336 ZHALVDWRGFGHKO-UHFFFAOYSA-N 391.397 3.678 0 40 GHAB O=C1CCCCN1c1ccc(NS(=O)(=O)Cc2cccc(Cl)c2)cc1 38677658 XFYUGHPSZVPLAW-UHFFFAOYSA-N 378.881 3.799 0 40 GHAB O=C(c1c(F)cccc1F)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575414525 AASRCZBXQPGUMX-MRXNPFEDSA-N 399.846 3.620 0 40 GHAB CC(C)c1nccn1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19454400 XVWDHLVBOVSJKI-VWPQPMDRSA-N 398.526 3.672 0 40 GHAB COc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c(OC)c1 50049909 PISXBLFIYYSGGN-HNNXBMFYSA-N 389.521 3.799 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccccc1-n1cccn1 40141957 RRUMEUMXYDWWDJ-UHFFFAOYSA-N 395.484 3.841 0 40 GHAB O=C(N[C@H](CC(=O)N(C[C@@H]1CCOC1)C1CC1)c1ccccc1)c1ccccc1 40107938 WGNCHRLKJAJTAZ-PGRDOPGGSA-N 392.499 3.575 0 40 GHAB O=C(NCCc1cc(F)cc2c1OCOC2)[C@@H]1C[C@@H]1c1ccccc1Cl 58402669 QNSKNYSXEAPMAK-IAGOWNOFSA-N 375.827 3.808 0 40 GHAB COc1cccc(CNC(=O)CSc2nc(C3CC3)nc3ccccc23)c1 14708048 BRHFWDXHEXUFMR-UHFFFAOYSA-N 379.485 3.924 0 40 GHAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(F)cc1 2330242 LJWIQIOBWYUSGH-UHFFFAOYSA-N 376.482 3.820 0 40 GHAB CCOc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1336957 STDMZCYHIWDAFT-UHFFFAOYSA-N 395.455 3.592 0 40 GHAB Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(Cl)c1 3472405 AFWKZKJVGOHUFM-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 4301410 MBEIPAAIJONRMZ-NJYVYQBISA-N 388.423 3.893 0 40 GHAB CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 4699264 QHTFZPHOXPPTBN-UHFFFAOYSA-N 399.501 3.621 0 40 GHAB CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(Cl)c(Br)c1 6159279 FXHTWFGRZHBDDI-UHFFFAOYSA-N 377.666 3.956 0 40 GHAB Cc1cc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc(C)c1Cl 6266301 ZVTKTZAUBCHUKN-UHFFFAOYSA-N 378.881 3.623 0 40 GHAB CC[C@@H](C)NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 6357572 PKSLLBKKUGPJPS-OAHLLOKOSA-N 394.924 3.758 0 40 GHAB CCCCCNC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 6596953 JGCMECDTTOLMRN-UHFFFAOYSA-N 388.533 3.751 0 40 GHAB CCc1nc2ccccc2c(C(=O)OCC(=O)N(C)Cc2ccsc2)c1C 7181315 MNUBOWMJNDWMMB-UHFFFAOYSA-N 382.485 3.983 0 40 GHAB CCc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1 8131137 PQQKOKFCKGCULE-FQEVSTJZSA-N 388.533 3.626 0 40 GHAB Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(Br)c(C)c2C)cc1 8475385 VWUUSIJNSZXEJW-UHFFFAOYSA-N 396.306 3.787 0 40 GHAB O=c1c(CN2CCCCCC2)coc(O)c1CN1CC[C@@H](c2ccccc2)C1 101373445 ULYPMYDQNRDGJO-LJQANCHMSA-N 382.504 3.711 0 40 GHAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3N3CCCN23)cc1 101309878 YBTVMJIMSMRMBB-DNVJHFABSA-N 397.478 3.684 0 40 GHAB C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 10358503 PXHNAHFLXKEGPS-MRXNPFEDSA-N 380.469 3.978 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCSc2ccc(F)cc21 10964170 ATXNBYAFUYUPLK-INIZCTEOSA-N 379.478 3.505 0 40 GHAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Nc2ccccc2)cc1 21007037 XMGFGFJYBTYVMS-WOJBJXKFSA-N 389.455 3.710 0 40 GHAB CCCc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(C(C)=O)cc3)ccc12 21130424 QMWPHMTUDVGDBQ-UHFFFAOYSA-N 386.425 3.716 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(C)c(O)n2)c2ccccc2)c1 11419589 NZUYIAGWPFVAQZ-KRWDZBQOSA-N 380.473 3.975 0 40 GHAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1cc2c(s1)-c1ccccc1CC2 32902928 JTWMMPQWSRZBJV-INIZCTEOSA-N 387.526 3.634 0 40 GHAB O=C(CCNC(=O)c1ccsc1)NCc1ccc(-c2ccc(O)cc2)cc1 32908424 UGJUAPRQQZUMSV-UHFFFAOYSA-N 380.469 3.557 0 40 GHAB Cc1ccc(-n2c(SC[C@H]3CNC(=O)O3)nnc2-c2ccccc2)cc1C 5859582 ZHUCHFCHNVYIMZ-QGZVFWFLSA-N 380.473 3.752 0 40 GHAB CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)cc1 15026440 GXEQPEZAZUYURR-OAHLLOKOSA-N 398.484 3.513 0 40 GHAB Nc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1-c1ccccc1 28047272 DASPWYMOKMDRTC-UHFFFAOYSA-N 394.287 3.887 0 40 GHAB C[C@H]1CCCN(C(=O)C2CCN(c3ncnc4c3oc3ccccc34)CC2)C1 33290440 YTZKTWHRONFMMY-HNNXBMFYSA-N 378.476 3.851 0 40 GHAB Cn1c(SCC(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CCCC3 648665 CSDMYJLRCRGZLN-UHFFFAOYSA-N 385.514 3.605 0 40 GHAB COc1cccc(-c2nn3c(O)cc([C@@H](C)Cn4nccc4C)nc3c2C)c1 100775738 XXAFVERNDIYFCH-ZDUSSCGKSA-N 377.448 3.728 0 40 GHAB COc1ccc(C(=O)[C@@H](C)OC(=O)CSc2cnc3ccccc3n2)cc1 22614820 NIBJPEBGFXEUCR-CYBMUJFWSA-N 382.441 3.545 0 40 GHAB Cc1ccc(NC(=O)[C@H]2[C@H]3NC(=S)N(C)[C@@]2(C)Oc2ccccc23)c(C)c1 100870483 FMEGMANQLUEYOL-LQWHRVPQSA-N 381.501 3.528 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)c1 28221154 KNRYVRNEPCLHMQ-HNNXBMFYSA-N 386.473 3.534 0 40 GHAB CCOC(=O)c1c(NC(=O)COc2cccc(OC)c2)sc2c1CCCC2 986693 WMXTYFCFMCYIIG-UHFFFAOYSA-N 389.473 3.830 0 40 GHAB CC(=O)N1CCc2cc(C(=O)N(C)Cc3ccccc3N3CCCCC3)ccc21 24653728 OGMJLZFVMALPBH-UHFFFAOYSA-N 391.515 3.858 0 40 GHAB Cc1ccccc1CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 24149585 DELKPMLSIPNZOA-UHFFFAOYSA-N 394.544 3.933 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)Nc2ccccc2Cl)CC1 47323094 AHWHGQUUFNEWJQ-UHFFFAOYSA-N 396.878 3.740 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)c(F)cc2F)c2ccccc12 55612318 BOFNHDJIVMJAFB-UHFFFAOYSA-N 393.367 3.626 0 40 GHAB COc1cc([C@@H](C)NC(=O)Nc2nnc(C)s2)ccc1OCc1ccncc1 47939148 PPMULEGYKMOMHN-GFCCVEGCSA-N 399.476 3.712 0 40 GHAB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)nc2cc(F)ccc12 58004275 MPGNONOQRKZMKD-FQEVSTJZSA-N 380.419 3.587 0 40 GHAB Cc1cccc(N2CCN(C(=O)CN(Cc3ccco3)Cc3ccco3)CC2)c1 10056699 NDMARRGVABTMIZ-UHFFFAOYSA-N 393.487 3.532 0 40 GHAB O=C(NCc1cccs1)C1CCN(Cc2coc(-c3ccccc3)n2)CC1 58167735 UZQYRELHLDTHJP-UHFFFAOYSA-N 381.501 3.932 0 40 GHAB CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CC(C)C)CCCC3 3302993 PDTQDORJHPHZRB-UHFFFAOYSA-N 380.535 3.648 0 40 GHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1Br 12758286 GQKMPILUKVZMEB-UHFFFAOYSA-N 384.237 3.690 0 40 GHAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc2c(c1)CCC2 12880232 KEYDZBQLUXXAOY-IBGZPJMESA-N 398.528 3.674 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 12980325 HTWLPKYYWCYQSD-GOSISDBHSA-N 377.462 3.964 0 40 GHAB O=C(CN(Cc1ccco1)C(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1 12901099 UEOINWYMZCOTBO-UHFFFAOYSA-N 387.439 3.971 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)N(C)CC(=O)Nc3cccc(F)c3)o2)cc1 12982842 IAZJATMTCGUKEV-UHFFFAOYSA-N 395.434 3.819 0 40 GHAB Cc1cc(=O)c(C(=O)NC2CCC(C)CC2)nn1-c1ccccc1C(F)(F)F 12939548 WOFOBWPQHJBWLI-UHFFFAOYSA-N 393.409 3.868 0 40 GHAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(C(C)=O)cc2)C(C)C)cc1 3517731 FPUIWXZCAPWYFA-FQEVSTJZSA-N 382.460 3.681 0 40 GHAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 23299315 VHEAGLSAHTYZJQ-KRWDZBQOSA-N 378.472 3.777 0 40 GHAB O=C(Oc1ccccc1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 3517825 OJFONLRJRXMAID-UHFFFAOYSA-N 393.464 3.653 0 40 GHAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Br)c1 21139459 KMVVJLQFZGKBRK-UHFFFAOYSA-N 387.277 3.615 0 40 GHAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 4017486 KVOPAWWXZAQLDK-FDBJDISXSA-N 380.488 3.585 0 40 GHAB CCCSc1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)s1 7397611 BIXXOQAUKRGNKY-SECBINFHSA-N 383.520 3.888 0 40 GHAB O=C(Nc1ccc[nH]c1=O)c1ccc(Oc2ccc(Br)cc2)nc1 65475679 YKIGYGKOAGFZSW-UHFFFAOYSA-N 386.205 3.577 0 40 GHAB O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)C1 68032514 ULUZCPXMEOXNAM-BJOMATTFSA-N 380.532 3.505 0 40 GHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1coc(-c2ccccc2)n1 14188535 GOAKZIAIEDOOEO-UHFFFAOYSA-N 392.459 3.761 0 40 GHAB COCc1cc(C)nc2sc3c(c12)N(C(C)=O)[C@H](c1ccc(F)cc1)NC3=O 4574937 VGPKHBIAOZKIEY-GOSISDBHSA-N 399.447 3.685 0 40 GHAB CCCCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCSc3ccccc32)cc1 14201496 WLFJIJQECRKAPV-LJQANCHMSA-N 398.528 3.949 0 40 GHAB CC(=O)N1CCC(NC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)CC1 68178059 GCHQHSRIFRUJBS-FQEVSTJZSA-N 386.879 3.587 0 40 GHAB Cc1ccc2nc(CSc3nnc(NC4CCCCC4)s3)cc(=O)n2c1 6566443 JCUDENXCNZYEGN-UHFFFAOYSA-N 387.534 3.891 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N1CCc2ccccc21 6549894 RIVJVRGCYBQXLG-UHFFFAOYSA-N 382.279 3.599 0 40 GHAB O=S1(=O)C[C@@H]2N=C(SCc3cccc(Cl)c3)N(c3ccccc3)[C@H]2C1 6672130 SHWYUJWGMJVHAW-IRXDYDNUSA-N 392.933 3.615 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccccc1C(F)(F)F 6653150 MYFYGHKGGLXXIE-UHFFFAOYSA-N 397.397 3.679 0 40 GHAB CCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(C)cc1 6721095 XNJAQAHXKITDBS-ZWKOTPCHSA-N 393.516 3.539 0 40 GHAB Cc1ccsc1CN(C)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 8394086 JETIJWGHUILADM-UHFFFAOYSA-N 392.546 3.503 0 40 GHAB O=C(CSc1nnnn1C1CCCC1)N[C@@H](c1ccccc1)c1cccs1 8314940 YIBFJBNBMLKPSZ-SFHVURJKSA-N 399.545 3.848 0 40 GHAB Cc1cccc(CN2C[C@@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)n1 306133911 MZDDKSFCEUBXRX-WIYYLYMNSA-N 396.537 3.874 0 40 GHAB CCn1ncc(CN(C)C(=S)Nc2sc(C)c(C)c2C(=O)OC)c1C 17077844 FHJXJSSVOKXZMU-UHFFFAOYSA-N 380.539 3.505 0 40 GHAB COc1ccccc1N1CC[C@H](N2CCC(OCc3ccc(F)cc3)CC2)C1=O 91887896 YGZYMIWUAXZZOO-NRFANRHFSA-N 398.478 3.621 0 40 GHAB COc1ccc(CNC(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1 89442457 ISVYBUQOTDMLMF-UHFFFAOYSA-N 375.472 3.582 0 40 GHAB COc1cccc([C@H](O)CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 89469657 HQKSSBGLGXFBHL-BHIYHBOVSA-N 381.394 3.555 0 40 GHAB Cc1ccc([C@@H]2C[C@]3(CC(=O)N(c4ccc(Cl)cc4)C3=O)N3CCCN23)cc1 19170016 WEWPSJPNLVNERY-SIKLNZKXSA-N 395.890 3.718 0 40 GHAB O=C(NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccccc1F 20151685 SPAJEOLLJUAZMF-UHFFFAOYSA-N 387.219 3.958 0 40 GHAB CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1 96004675 ZGIHOJOYYUQMKJ-UHFFFAOYSA-N 396.487 3.952 0 40 GHAB Cc1ccc(OCc2nnc3sc([C@H]4COc5ccccc5O4)nn23)cc1 19796864 COUKBTKWSNYWKI-MRXNPFEDSA-N 380.429 3.586 0 40 GHAB CC[C@@](C)(NCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1nccs1 72305185 MYKCHXRBKSYHBJ-OAHLLOKOSA-N 382.415 3.553 0 40 GHAB O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)N1CCCSCC1 84452410 ZOMLXPGCLBZEPU-UHFFFAOYSA-N 376.522 3.766 0 40 GHAB CNC(=O)c1cc(N(C)C(=O)[C@H](Sc2ccccc2)c2ccccc2)ccn1 79065726 VKUHBMVEVGFTLW-HXUWFJFHSA-N 391.496 3.938 0 40 GHAB CC(=O)c1sc(NC(=O)c2cc(C)nc3c2cnn3C)nc1-c1ccccc1 95963418 WZRRYHCOJJKHKB-UHFFFAOYSA-N 391.456 3.855 0 40 GHAB Cc1cccc(Cn2ccn3c(Br)c(Br)cc3c2=O)c1 95943728 SXIBFXMQRBGTCQ-UHFFFAOYSA-N 396.082 3.983 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cc1 27930354 YQHHPZKJBXPCAM-UHFFFAOYSA-N 393.262 3.807 0 40 GHAB COc1ccccc1CN1C[C@@H]2[C@@H](C1)c1cc(-c3ccoc3)ccc1S2(=O)=O 306140752 VDDYUMUYIOPAIU-SIKLNZKXSA-N 395.480 3.711 0 40 GHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)COC(=O)c2ccc(C)o2)c1 32745231 MJBWGHUPODKMGN-UHFFFAOYSA-N 392.411 3.944 0 40 GHAB COc1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)cc1OC 36352753 PLIWFMOTMYPNFH-UHFFFAOYSA-N 399.374 3.627 0 40 GHAB COc1cc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc(S(C)(=O)=O)c1 557676124 BWQLRVSIYUFISG-NIKGAXFTSA-N 397.537 3.515 0 40 GHAB Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4cn(C)nc4C)C3)n2)c1 72362603 GNONHHBHSNEUIX-KRWDZBQOSA-N 391.475 3.639 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(N)=O)CC1 72345080 MPDPUJKPAJEHHT-QAPCUYQASA-N 382.529 3.708 0 40 GHAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44938309 SYPYCYLTBNZWNO-GOSISDBHSA-N 395.478 3.803 0 40 GHAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O 40478504 IQFFERMBAQIZAD-UHFFFAOYSA-N 393.487 3.725 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 225698693 NSRQGMQGMRELPO-QGZVFWFLSA-N 386.923 3.867 0 40 GHAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc(Cl)cc1 224155589 KNMITQXEDMOCHC-GOSISDBHSA-N 375.852 3.836 0 40 GHAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 223960442 HFJFZYPHBZMHSQ-LPMFXHHGSA-N 388.464 3.545 0 40 GHAB CSc1ccccc1N(CCCC(=O)NCC1CCCCC1)S(C)(=O)=O 224880602 DWBJPKRWDMJYNA-UHFFFAOYSA-N 398.594 3.651 0 40 GHAB O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1ccc2c(c1)CCCCC2=O 570011740 LTLNCPDKNXRJML-UHFFFAOYSA-N 387.439 3.504 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc4ccccc4c3)ccc21 222824076 HEAKGGAMZFPVJL-UHFFFAOYSA-N 398.509 3.715 0 40 GHAB Cc1cccc(-c2nc3sc(=Cc4ccc(Cl)c(Cl)c4)c(=O)n3n2)c1 254816992 NQWHGKAHEVUIRV-UHFFFAOYSA-N 388.279 3.981 0 40 GHAB FC(F)(F)c1ccc([C@H]2CN(c3nccc(-c4cnccn4)n3)CCO2)cc1 583481306 YGKMMEGLZWSAGP-QGZVFWFLSA-N 387.365 3.530 0 40 GHAB O=C(CN1CCCCC1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257244320 IKUBYEQWJQNCLZ-FQEVSTJZSA-N 385.483 3.944 0 40 GHAB O=C(NCc1ccncc1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257278889 OECGJCBXNMLKNA-UHFFFAOYSA-N 387.483 3.799 0 40 GHAB Cc1ccnc(CNS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)c1 585085870 IOORBHCJOHXKPW-UHFFFAOYSA-N 380.897 3.701 0 40 GHAB Cn1nc(-c2ccsc2)cc1NC(=O)N[C@@H]1CCO[C@H](c2cccnc2)C1 653032229 COSUPHLSFZIGHP-WBVHZDCISA-N 383.477 3.585 0 40 GHAB CSc1cccc(NC(=O)c2cn(Cc3ccc(NC(C)=O)cc3)cn2)c1 49422046 WWYSDUCQXLRWDD-UHFFFAOYSA-N 380.473 3.864 0 40 GHAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2C[C@@H](CO)OC[C@@H]2C)c(C(C)C)c1 1561349888 QTUSWCVNQRZJOP-WMZOPIPTSA-N 397.581 3.827 0 40 GHAB CC(=O)c1cccc(NC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)c1 5399867 BWTAXHNZJPFWQC-UHFFFAOYSA-N 397.434 3.905 0 40 GHAB CCOc1ccc(NC(=O)COc2ccc(C(C)=O)cc2OC)cc1OCC 5440340 OOXDYVOCOILSAH-UHFFFAOYSA-N 387.432 3.713 0 40 GHAB CCOc1cc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccccn2)ccc1OC 12089071 WDQXCDSCTSADTJ-LIMIJEPZSA-N 382.504 3.609 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4C[C@@H]4C)C3)cc2n1 12239390 MKIZYXVGALRIHG-YNEHKIRRSA-N 380.414 3.843 0 40 GHAB Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1C 12293540 VDORHKNLOZMKFB-LEWJYISDSA-N 385.479 3.827 0 40 GHAB Cc1ccc(Nc2nc(COC(=O)c3nc4nccc(C)n4n3)cs2)cc1C 12521500 ODXVGKFKPPYVJH-UHFFFAOYSA-N 394.460 3.607 0 40 GHAB COc1ccc(/C=C\C(=O)NCc2cc(-c3ccc(F)cc3)on2)cc1OC 12636845 GSNMNMUMCSCIEA-WMZJFQQLSA-N 382.391 3.828 0 40 GHAB C[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 13670391 RBQYRBFJWWAFDR-HNNXBMFYSA-N 388.533 3.871 0 40 GHAB O=S(=O)(NCCc1ccc(OC(F)F)cc1)c1cccc(C(F)(F)F)c1 14633388 OESDWCZISAILKK-UHFFFAOYSA-N 395.349 3.828 0 40 GHAB O=C1/C(=C/c2ccccc2OCc2ccccc2)NC(=S)N1C[C@H]1CCCO1 15281543 YLSOFSLKBNJXID-ZJYZBMPFSA-N 394.496 3.502 0 40 GHAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)on1 19121217 DPDPOIIBZYPFKU-UHFFFAOYSA-N 398.850 3.819 0 40 GHAB CCc1cc(C(=O)N2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)on1 19522737 IAOXMRAZCCBRIJ-RIEGTJTDSA-N 397.401 3.718 0 40 GHAB CCOC1CCN(C(=O)c2cc(-c3cn(C)nc3C)nc3ccccc23)CC1 19716515 DYTCRMJSRDJLCD-UHFFFAOYSA-N 378.476 3.585 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c(C)c1 4505675 TVCWPRTVZBEYQZ-UHFFFAOYSA-N 399.512 3.801 0 40 GHAB COc1cccc(OC)c1CN1CCCC[C@H]1c1cc2nc(C)c(C)c(O)n2n1 12160961 OFHQRPDSZIUOMV-SFHVURJKSA-N 396.491 3.796 0 40 GHAB COC(=O)c1ccc(CSc2nnc(NC(=O)C3CCCC3)s2)cc1 5549689 OWZUOZLUFBNEDZ-UHFFFAOYSA-N 377.491 3.746 0 40 GHAB COc1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)cn1 37868434 LNCUARDABMIVRA-UHFFFAOYSA-N 383.404 3.535 0 40 GHAB Cc1cc(I)ccc1NC(=O)c1ccc2nsnc2c1 21595730 XOZOSJYNGOHVCI-UHFFFAOYSA-N 395.225 3.857 0 40 GHAB CCc1ccc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC2(C)C)cc1 2713167 FFVLCJTXRUAXKK-UHFFFAOYSA-N 383.879 3.909 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-n2cccc2)cc1 5242306 SKDWDFGYVWYTEM-UHFFFAOYSA-N 379.445 3.690 0 40 GHAB CCOc1ccc(NC(=S)NCCc2cc3ccc(C)cc3[nH]c2=O)cc1 9669260 IOOUBPFWDINMFJ-UHFFFAOYSA-N 381.501 3.764 0 40 GHAB CSc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1 11694882 YJVFSZXYNJBFPS-JEBQAFNWSA-N 379.489 3.658 0 40 GHAB CSc1ncccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13695447 URMNECNTZMLYIX-UHFFFAOYSA-N 379.441 3.852 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc(S(=O)(=O)NCc2cccs2)o1 35597565 RAZHFOLFMVKXRG-UHFFFAOYSA-N 396.877 3.725 0 40 GHAB COc1ccc2oc(C(=O)N3CC[C@@H](Oc4cnc5ccccc5n4)C3)cc2c1 618255517 SAOBILMAGUKRRA-MRXNPFEDSA-N 389.411 3.678 0 40 GHAB COCC(=O)Nc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 30041442 PNRPDSJOXUJOTN-UHFFFAOYSA-N 385.807 3.832 0 40 GHAB O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cccnc1OCC(F)(F)F 40111929 GGCQKUSJMGCQBM-UHFFFAOYSA-N 395.259 3.611 0 40 GHAB Cc1cc(C)nc(Sc2ccc(NC(=O)CSc3nncs3)cc2)n1 40156706 BPYBJBUDDDRIED-UHFFFAOYSA-N 389.531 3.827 0 40 GHAB Cc1ccc(S(=O)(=O)c2ccc(CN(C[C@H]3CCOC3)C3CC3)cc2)cc1 40154183 KWOSWERKBMBQJO-LJQANCHMSA-N 385.529 3.829 0 40 GHAB CCC(=O)N(c1nnc(S[C@@H](C)C(=O)c2ccc(F)cc2)s1)C1CC1 7673053 FLTDROIXHNMYJW-JTQLQIEISA-N 379.482 3.946 0 40 GHAB O=C(COc1ccccc1)Nc1ncc2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O 2330506 GJYKZULDFWRWOZ-OAHLLOKOSA-N 391.402 3.546 0 40 GHAB Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccncc1 897216 GPAYCTWRXGWEDA-UHFFFAOYSA-N 393.394 3.627 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1cnn(-c2ccccc2)c1C(F)(F)F 10808704 ZHUQOOSTAXEWFS-UHFFFAOYSA-N 375.306 3.872 0 40 GHAB CCOC(=O)c1cc2sccc2n1CC(=O)Nc1cc(OC)cc(OC)c1 1338142 OCQMVXALYKTJDB-UHFFFAOYSA-N 388.445 3.535 0 40 GHAB CC(=O)N1CCc2cc(-c3csc(NC(=O)Cc4ccccc4)n3)ccc21 1365491 LMOQBFBAOZPWHW-UHFFFAOYSA-N 377.469 3.900 0 40 GHAB CCOc1cc(C(=O)N2CCOCC2)cc(Cl)c1OCc1ccccc1 6892294 UKVZNLWBZMPFEQ-UHFFFAOYSA-N 375.852 3.790 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 6944987 PVLYPPVVQHIQCQ-OAHLLOKOSA-N 394.924 3.840 0 40 GHAB COc1cccc(CNn2cnnc2)c1OCc1ccc(Cl)cc1Cl 7602394 IESJYYGAYOKTIX-UHFFFAOYSA-N 379.247 3.916 0 40 GHAB Cc1nn2c(nnc3c(=O)n(-c4nccs4)ccc32)c1-c1cccc(Cl)c1 20732440 BYHORSRRFPUXRG-UHFFFAOYSA-N 394.847 3.514 0 40 GHAB Cc1nn(C)c(C)c1CNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 36614169 RIHUEWLWIIVIDJ-UHFFFAOYSA-N 393.422 3.618 0 40 GHAB COc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)cc1 8113172 AHLNJQATHFAZMH-UHFFFAOYSA-N 388.464 3.623 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2C)cc1Cl 8414120 IPNGADALNVDCOT-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2C)cc1C 8414313 WMVXQTOALBWCPB-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2COc3ccccc3C2)CC1 32787201 OKOBNLPIUROMSV-QGZVFWFLSA-N 399.922 3.672 0 40 GHAB C[C@H](NC(=O)c1cccc(C[S@@](C)=O)c1)c1ccc(OC(F)(F)F)cc1 32818434 JYJXKGRCKJPSJL-QDXKXIGTSA-N 385.407 3.955 0 40 GHAB CCOc1ccc(CCC2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)cc1 10995183 OEUQACFBAGBBJK-UHFFFAOYSA-N 378.476 3.842 0 40 GHAB Cc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCC3)cc(=O)c2c1 21659784 KEVCBTCLLGPWLZ-KRWDZBQOSA-N 380.444 3.570 0 40 GHAB CN(C)[C@@H](CNC(=O)NCc1ccccc1OC(F)(F)F)c1cccs1 29655254 ABUZDGSAXHIDGL-ZDUSSCGKSA-N 387.427 3.749 0 40 GHAB O=C1CN(c2ccc(NC(=O)c3cc4ccccc4s3)cc2Cl)CCN1 32915443 SNZQXQOPBQKOKX-UHFFFAOYSA-N 385.876 3.743 0 40 GHAB COc1ccc([C@H]2CC(=O)c3c(C)nn(-c4nc(C)cc(C)n4)c3C2)cc1OC 9936307 PZWQGZPVTGIZJQ-MRXNPFEDSA-N 392.459 3.517 0 40 GHAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)N3CCOCC3)nc2c1 2622459 YWRBGUZVJFIIOR-UHFFFAOYSA-N 394.496 3.861 0 40 GHAB CCN(CC)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 20062775 UFGDLBQMDTXNKX-UHFFFAOYSA-N 392.546 3.716 0 40 GHAB CCOc1ccc2nc(NC(=O)c3ccc(CN4CCOCC4)cc3)sc2c1 22227837 QIFJXPDZPFLSJW-UHFFFAOYSA-N 397.500 3.780 0 40 GHAB Cc1nc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)sc1CC(N)=O 103301869 MPXAHILXMQXVMU-FPMFFAJLSA-N 384.567 3.575 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1C 7988595 URFZDCMECDIVRV-UHFFFAOYSA-N 386.517 3.767 0 40 GHAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCCCn2nc(C)cc2C)CC1=O 7985310 FDKJRPFOFVFQTP-APWZRJJASA-N 396.535 3.573 0 40 GHAB COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1ccc(Br)cc1 865032 WHPWGIWERUNXIQ-HNNXBMFYSA-N 391.217 3.951 0 40 GHAB biogenic CN(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 104305895 YPBAHHHADZHQPX-OWBHPGMISA-N 376.412 3.560 0 40 GHAB O=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1Br 101276937 XVJACDQTXHBADC-ZDUSSCGKSA-N 379.641 3.847 0 40 GHAB C[C@@H](NC(=O)CNC(=O)c1ccc(Br)cc1)c1cccc(Cl)c1 8033900 FYRAYUVCJXFCSY-LLVKDONJSA-N 395.684 3.710 0 40 GHAB CCOc1ccc(NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)cc1 58180983 HAABCFBUNNFUIJ-UHFFFAOYSA-N 378.432 3.563 0 40 GHAB CC(=O)NCCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 105851710 KDTKEYDPQYWJMG-SQFISAMPSA-N 376.412 3.608 0 40 GHAB Cc1ccc(C(=O)NCC(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)s1 47345564 PYGXEMFCBAUDHS-UHFFFAOYSA-N 397.475 3.723 0 40 GHAB COC(=O)C1=C(C)Nc2nc(=S)[nH]c(O)c2[C@@H]1c1ccc(C(F)(F)F)cc1 28465882 DUXGBXSMUNLPGX-LLVKDONJSA-N 397.378 3.868 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2nn(C)c(=O)c3ccccc23)cc1 8074463 PKDOHMNOFFMPFS-FQEVSTJZSA-N 391.471 3.700 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 58209064 WHRMMIWGBBQRPB-CYBMUJFWSA-N 380.897 3.886 0 40 GHAB CN(C(=O)Cc1ccc2c(c1)CCO2)[C@H](c1cccc(F)c1)c1ccccn1 58282084 CWVDONFMPNPYCR-HSZRJFAPSA-N 376.431 3.946 0 40 GHAB COc1cc(C)c(Br)cc1S(=O)(=O)NC1CCCCCC1 16780124 JMPDFJXJKLUXTH-UHFFFAOYSA-N 376.316 3.767 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1NC(=O)CC 408699073 UKTMWCHBYMJWIA-UHFFFAOYSA-N 394.518 3.957 0 40 GHAB CCc1noc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)n1 48303165 FLKBIJABMIKGFG-FQEVSTJZSA-N 385.489 3.858 0 40 GHAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 3412111 QHPQPWXXRINYOL-OAQYLSRUSA-N 399.878 3.753 0 40 GHAB Cc1nnc(SCC(=O)NCCc2ccc(Cl)cc2)n1-c1ccccc1 3409690 DWXWSYPNMSLHIQ-UHFFFAOYSA-N 386.908 3.680 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCc1ccc(F)cc1 3419975 LEKRWJNKEXPOCI-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnnn2C2CC2)c2ccccc2)c1 8388632 QCNOOKFLEHHTOJ-SFHVURJKSA-N 393.472 3.683 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)Cc1csc(-c2ccco2)n1 12984323 PJQXTTJYERVADX-UHFFFAOYSA-N 383.473 3.660 0 40 GHAB CC[C@H](NCC(=O)Nc1cc2c(cc1C(C)=O)OCO2)c1ccc(Cl)cc1 12912574 BPSBOXLQWDZVBS-INIZCTEOSA-N 388.851 3.951 0 40 GHAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccco1 12942627 RQVVSNRJCAOIOD-OAHLLOKOSA-N 384.457 3.596 0 40 GHAB COc1ccc(OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C(C)=O)c1 12998588 DXWCLIPCBBZDEG-SCUMNGBJSA-N 385.504 3.998 0 40 GHAB Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12917450 GVCWPINPBWPSHH-UHFFFAOYSA-N 398.528 3.523 0 40 GHAB O=C(Cn1nnc(-c2cccc(F)c2)n1)N(Cc1ccco1)C1=CCCCC1 8734344 UMMOKFMHOLPESY-UHFFFAOYSA-N 381.411 3.559 0 40 GHAB CCN(CCO)c1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 13207004 KAMWOXYLSUIWKH-UHFFFAOYSA-N 384.480 3.564 0 40 GHAB COc1ccc(NC(=O)c2cccnc2Sc2ccc(NC(C)=O)nc2)cc1 4053044 QLSCUBCYVWUANL-UHFFFAOYSA-N 394.456 3.847 0 40 GHAB Cc1cccc2[nH]cc(C(=O)COC(=O)c3ccn(-c4cccc(F)c4)n3)c12 64236471 VLKUJIBHGPFSKR-UHFFFAOYSA-N 377.375 3.841 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C)cc2)n1 8711547 XJRAGGVKAOKWGP-QGZVFWFLSA-N 377.444 3.982 0 40 GHAB C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)N1CCCC1 5079458 VUZIZFBZXXNXQU-CQSZACIVSA-N 385.847 3.739 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3cccn3C)n2)cc1 4414855 JBPLZTIKXCVUIO-ZDUSSCGKSA-N 383.473 3.895 0 40 GHAB COc1ccc(OC)c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)c1 4519922 BBXSIJPIPXGZQY-INIZCTEOSA-N 399.830 3.689 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1OC 5499904 VFFQPAJJOGNZRU-UHFFFAOYSA-N 398.488 3.539 0 40 GHAB Cc1cc(Br)ccc1SCC(=O)Nc1ccc(C(N)=O)cc1 6560477 SLLGQGYAXXVLBX-UHFFFAOYSA-N 379.279 3.587 0 40 GHAB CCc1ccc(CN2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 4690168 KAZMICOCVJCTCT-UHFFFAOYSA-N 380.488 3.506 0 40 GHAB Cc1ccccc1-c1nc(C(=O)Nc2ccccc2CS(C)(=O)=O)cs1 66354109 OJYAVLKEAMFJPJ-UHFFFAOYSA-N 386.498 3.915 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)n2)o1 14914067 BSKJMWPZSMLOAL-UHFFFAOYSA-N 376.459 3.508 0 40 GHAB Cc1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)o1 6810273 IHNGXUBGAQPCHN-SFHVURJKSA-N 389.517 3.715 0 40 GHAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2C)c1C 5862911 RSXVTTPDLZKRTI-ZDUSSCGKSA-N 388.493 3.676 0 40 GHAB CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1OC 4973802 UQKKYJMLKWEWQM-UHFFFAOYSA-N 392.253 3.638 0 40 GHAB C[C@@H]1CN(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)C[C@@H](C)O1 7035971 HJSUDDTUCLPKEU-HUUCEWRRSA-N 387.863 3.586 0 40 GHAB C(CSc1nnc(NC2CC2)s1)CSc1nnc(NC2CC2)s1 19241270 JBMYFONBNDMODV-UHFFFAOYSA-N 386.597 3.813 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)n[nH]c1=O 9513566 YSTKNPBPTWHIIH-UHFFFAOYSA-N 398.488 3.813 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(C)c2C)cc1 9237842 BMHGCJLBFHXXGC-RTBURBONSA-N 393.516 3.910 0 40 GHAB CCc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)cc1 9321098 PFMKJAONUXEVAS-UHFFFAOYSA-N 386.455 3.673 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3nc(-n4cccc4)sc3c2)C1 9481318 LCSIRGGXPZGIRZ-HNNXBMFYSA-N 383.473 3.502 0 40 GHAB CCN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)s1 9584122 KGVHURGNJOTMEY-LBPRGKRZSA-N 386.926 3.748 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccnn1Cc1ccccc1Cl 9585884 WOGTYQZUQGPKMS-UHFFFAOYSA-N 397.862 3.977 0 40 GHAB CN(c1ccccc1NCC(=O)NC(=O)NCc1ccccc1)C1CCCC1 83869757 KBFLZYCCSRHYSA-UHFFFAOYSA-N 380.492 3.503 0 40 GHAB CC(C)n1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2c1=O 72401537 XAUOHWMKVPPXNV-UHFFFAOYSA-N 393.462 3.684 0 40 GHAB Cc1cccc(OCCN(C)Cc2nnc(C(=O)Nc3ccccc3)s2)c1 95348777 MLSKSOUAMUFUBZ-UHFFFAOYSA-N 382.489 3.610 0 40 GHAB O=C(NCC1(c2ccc(Cl)cc2)CC1)[C@H]1CSCN1C(=O)C1CCCC1 78603686 SNAPOVXCMISPHW-QGZVFWFLSA-N 392.952 3.580 0 40 GHAB CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)o1 78850121 GSMDUHPGOWSGIF-YRNRMSPPSA-N 376.522 3.740 0 40 GHAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc(C3CC3)no2)cc1 26927356 MMAGBGRAFXYDCH-UHFFFAOYSA-N 392.459 3.635 0 40 GHAB COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2cccc(OC)c2)CC(O)=N3)cc1 20739897 ZKYIJJYBOCXWRO-SFHVURJKSA-N 392.415 3.739 0 40 GHAB Cc1cccn2c(=O)cc(CSCC(=O)Nc3ccc(F)c(Cl)c3)nc12 33026723 JUVHTABRTNSOGD-UHFFFAOYSA-N 391.855 3.667 0 40 GHAB COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4cccs4)C[C@H]32)cc1 306131838 KQRFNWHLWDTITL-NHCUHLMSSA-N 393.512 3.640 0 40 GHAB Cc1cccc2sc(NC(=O)CS(=O)(=O)CCCc3ccccc3)nc12 31738048 PIVKUFKDVKQCIJ-UHFFFAOYSA-N 388.514 3.591 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1C 219727861 DPTHNZWCFPEZBB-GOSISDBHSA-N 388.533 3.582 0 40 GHAB CCN(CC)C(=O)CN1CCC[C@H](c2cccc(-c3cccc(OC)c3)n2)C1 72348751 VPARGJXYYQLIMX-IBGZPJMESA-N 381.520 3.805 0 40 GHAB Cc1ccc(NC(=O)CSCc2cc(=O)n3cc(Cl)ccc3n2)c(C)c1 33026814 OJUBYNUDQYRWCF-UHFFFAOYSA-N 387.892 3.837 0 40 GHAB COc1ccc([C@@H](C)NCC(=O)NCCc2cccs2)cc1Br 49580938 IZAQOGRHOQLKRG-GFCCVEGCSA-N 397.338 3.529 0 40 GHAB O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(Br)cc1F 225834543 CSCBFOONYSAQKM-UHFFFAOYSA-N 391.200 3.605 0 40 GHAB CC(C)CSc1nnc(NS(=O)(=O)Cc2cccc(Cl)c2)s1 225645039 SIJGJEJURPLSNV-UHFFFAOYSA-N 377.944 3.882 0 40 GHAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224510795 USMSTKRHJITWNJ-UHFFFAOYSA-N 392.908 3.542 0 40 GHAB NC(=O)c1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 44899737 YBMYCJNHWDVBBZ-UHFFFAOYSA-N 385.467 3.991 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 224401314 DHFVRZZYQSTZLE-KRWDZBQOSA-N 386.517 3.724 0 40 GHAB CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 223921105 PWBXBGVCBCLCHJ-UHFFFAOYSA-N 394.452 3.942 0 40 GHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 224082730 LUWCVOPUFZUKFW-IBGZPJMESA-N 396.531 3.785 0 40 GHAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1C 224561224 HMRIEVUCJQEOGB-WOJBJXKFSA-N 378.501 3.914 0 40 GHAB O=C1NCCN(Cc2ccc(OC(F)F)c(Br)c2)c2ccccc21 568938279 VSEFFIMYEOZJJC-UHFFFAOYSA-N 397.219 3.801 0 40 GHAB Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224307171 NRURDJRUERHPEZ-SFHVURJKSA-N 384.495 3.866 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 225209051 IUOJAEVGVUOQAP-DLBZAZTESA-N 386.467 3.537 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)C)c(C)c1C 223834278 MKURNRWDIYNEMZ-UHFFFAOYSA-N 377.506 3.793 0 40 GHAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 224892385 MNCXCUGFYPSIKB-OXJNMPFZSA-N 388.533 3.671 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCC1(c2ccccc2)CCOCC1 223076755 JWNSSENKXAHIOI-NRFANRHFSA-N 383.488 3.717 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC)c1ccccc1C 225698802 HQVVIOWRLOHDTG-INIZCTEOSA-N 390.530 3.821 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2ccc(SC(C)C)cc2)N2CCOCC2)o1 48296696 OZQVMMHQPKCLLF-IBGZPJMESA-N 388.533 3.892 0 40 GHAB Cc1cccc(CN(C(=O)COc2cccc(C)c2C)[C@@H](C)C(=O)NC(C)C)c1 225514663 GAVYHHKZKDDAQS-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB O=C(NCCSC1CCCC1)c1ccc(I)cc1 48449240 AYRXMCGHOSJACG-UHFFFAOYSA-N 375.275 3.697 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)c1 222588946 KXVBUWLAORHNHB-QGZVFWFLSA-N 386.517 3.724 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 222536993 IPFKUXVXVWOSBD-HNNXBMFYSA-N 390.936 3.904 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21 96053327 FAARRGCDMSPHDC-HXUWFJFHSA-N 393.531 3.897 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NCc1nnc2ccc(-c3ccsc3)nn12 244983925 IXTWHTSUYSSHQL-UHFFFAOYSA-N 395.875 3.836 0 40 GHAB O=C(c1ccnc(C(F)(F)F)c1)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 585083933 JRUFTTIXMAWKRO-OAHLLOKOSA-N 389.377 3.665 0 40 GHAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccc2ccccc2n1 257248331 JDEDDIBJZNNTBZ-XKPYVIEYSA-N 377.488 3.629 0 40 GHAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC[C@@H]1c1nnc2ccccn12 524734370 XXSQXDURTHQDRD-CQSZACIVSA-N 391.353 3.997 0 40 GHAB CCOCC[C@@H]1CCOC12CCN(C(=O)COc1cccc(Cl)c1)CC2 253385573 TVXVJFREOCFPMU-MRXNPFEDSA-N 381.900 3.543 0 40 GHAB Cc1nn(C)cc1CN1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 257248625 JEMVUDKXFLGQQJ-JOCHJYFZSA-N 396.922 3.941 0 40 GHAB Cc1cc(Br)c(CC(=O)N[C@H](CCO)c2ccccc2F)s1 1615610087 ACVIQNJFXXSRMB-CQSZACIVSA-N 386.286 3.741 0 40 GHAB COc1ccc2c(ccn2CCC(=O)NCCc2c[nH]c3ccc(OC)cc23)c1 604404744 JUVXBPQRTRMAPD-UHFFFAOYSA-N 391.471 3.889 0 40 GHAB biogenic Cc1cc(-c2noc([C@@H](C)NC(=O)c3nncc4ccccc34)n2)ccc1F 1266162581 FYMBURYWJBRTIN-GFCCVEGCSA-N 377.379 3.618 0 40 GHAB O=C1CC[C@@]2(CCCN(Cc3ccc4c(c3)CCC4)CC2)N1C[C@H]1CCCO1 585099815 CLQKNKRDZVNVIB-ISKFKSNPSA-N 382.548 3.701 0 40 GHAB Cn1cnc(-c2ccc(NC(=O)NC3(c4c(F)cccc4F)CCC3)cc2)n1 585123573 DFYBMWCRFSNDJK-UHFFFAOYSA-N 383.402 3.961 0 40 GHAB C[C@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)N1CC(=O)Nc2ccccc21 57452452 RTCYGJVRJIWVLR-BTYIYWSLSA-N 391.496 3.801 0 40 GHAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1 5944797 WBDGEBRBLPRMAV-UHFFFAOYSA-N 396.560 3.689 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C3=CCN(C(N)=O)CC3)cc2)c(C)c1 11093695 HDGRJFODHDTPCS-KRWDZBQOSA-N 393.487 3.877 0 40 GHAB Cc1ccc(C)c(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 12607308 KSTYXQKEEIQSHY-UHFFFAOYSA-N 389.381 3.954 0 40 GHAB CCOc1ccc(C(=O)NC2CCN(C(=S)Nc3ccccc3C)CC2)cc1 13598922 YVNHAQGRKHZPEJ-UHFFFAOYSA-N 397.544 3.985 0 40 GHAB COc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 14399714 BUCZOPHZSUEBLU-UHFFFAOYSA-N 384.476 3.879 0 40 GHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1 14831684 VPDDPPVWVKUMHI-AWNIVKPZSA-N 397.500 3.816 0 40 GHAB O=C1CCC(=O)N1c1cccc(C(=O)N2CCCC[C@H]2CCc2ccccc2)c1 19371034 DIIDVZGIRUWNMR-FQEVSTJZSA-N 390.483 3.968 0 40 GHAB COc1ccc2[nH]cc(C(=O)NCC3(c4ccccc4F)CCOCC3)c2c1 19563171 QNUDXISSWQGQDT-UHFFFAOYSA-N 382.435 3.794 0 40 GHAB Cc1cc(Cc2ccccc2F)cc(C2CCN(C(=O)c3ccnn3C)CC2)n1 19691589 PRDAMTZKFXJVDT-UHFFFAOYSA-N 392.478 3.873 0 40 GHAB Cc1cc(C)cc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)c1 19947218 GDXSAYMRKQMYIK-UHFFFAOYSA-N 382.485 3.861 0 40 GHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)o1 35104201 YLAOZJINLQRZSZ-RIYZIHGNSA-N 377.805 3.956 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(C)=O)cc2)cc1 35289574 ITVDPOOPMBHUPU-IBGZPJMESA-N 381.432 3.533 0 40 GHAB C=CCc1cc(/C=C2/NC(=O)N(C)C2=O)cc(OC)c1OCc1ccc(C)cc1 8372995 HFIPHBLRQRXLRY-XDHOZWIPSA-N 392.455 3.834 0 40 GHAB COc1ccc(CN2CC[C@H](c3cc4nc(C)c(C)c(O)n4n3)C2)c(C)c1C 12255359 CPBIVSZAZQYLPI-SFHVURJKSA-N 380.492 3.667 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1nc(C2CCSCC2)no1 575607872 QABDJUVGHRUURZ-UHFFFAOYSA-N 385.411 3.558 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NCC2CCCCC2)n1 5996232 NLCMKKNZINNTQW-UHFFFAOYSA-N 394.928 3.922 0 40 GHAB CC(C)(C)NC(=O)[C@H]1CCN(c2nc3ccc(Br)cc3s2)C1 1889130306 ZRQPDBKXKMJBGW-JTQLQIEISA-N 382.327 3.800 0 40 GHAB Cc1nc(N2CCN(C[C@H]3CCCO3)CC2)c2cc(-c3ccccc3)sc2n1 15130015 LUSKLHVCQODZGW-GOSISDBHSA-N 394.544 3.968 0 40 GHAB C[C@]1(C(=O)N2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)CC=CCC1 1565543060 NZOQDLMOBFZMLN-PUHATCMVSA-N 384.520 3.742 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)COc2ccccc2)cc1 4585500 YKGGFFJSBRFHJL-UHFFFAOYSA-N 385.423 3.712 0 40 GHAB O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 5193869 XMOPOIXEXMHIHS-CQSZACIVSA-N 381.329 3.772 0 40 GHAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)nn1 5204295 UCHPUTMCBQAXAL-UHFFFAOYSA-N 389.864 3.997 0 40 GHAB O=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)Nc1nccs1 12444192 OVDPKHSCRVQFGR-UHFFFAOYSA-N 393.490 3.895 0 40 GHAB COc1ccc(-n2ccnc(SCC(=O)c3ccc(C)cc3C)c2=O)cc1 12415279 XSGGPQNAWLWKSS-UHFFFAOYSA-N 380.469 3.833 0 40 GHAB COc1ccc(C)cc1NC(=O)Cn1cnc2c(sc3cccc(F)c32)c1=O 17026392 VGBGOHOOFHZKQW-UHFFFAOYSA-N 397.431 3.706 0 40 GHAB Cc1csc(C(=O)N2CCc3c(COCc4ccncc4)cncc3C2)c1 2055751248 AKXUAYBAGNCPDB-UHFFFAOYSA-N 379.485 3.762 0 40 GHAB COc1ccc(-n2c3c(c(=O)[nH]c2=S)CN([C@H](C)c2ccccc2)CN3)cc1 19939321 AIYGMUADCFTJJE-CQSZACIVSA-N 394.500 3.850 0 40 GHAB O=C(NC1CCCCC1)c1ccc2c(O)nc3c(-c4ccccc4)nnn3c2c1 21867087 PLNLEBFRFALTDR-UHFFFAOYSA-N 387.443 3.713 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575612224 JMKLMDOSOHMSOV-CQSZACIVSA-N 384.333 3.710 0 40 GHAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc2ccccc2oc1=O 12232640 XHXRTVVHMIAMNG-UHFFFAOYSA-N 390.420 3.873 0 40 GHAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)O 16226800 JBIRQCOUYAKPAQ-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(Oc2ncccn2)cc1 40152451 RSUQRRNRWBXGIH-UHFFFAOYSA-N 390.399 3.596 0 40 GHAB Cc1ccc(C)c(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 654367 KRRGXGZSWNQQFE-UHFFFAOYSA-N 386.517 3.558 0 40 GHAB O=C(NCc1ccco1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 780409 QQZORHJCXSGXOB-UHFFFAOYSA-N 381.259 3.755 0 40 GHAB CCOc1nc(Nc2ccc([C@@H]3Nc4ccccc4O3)cc2)nc(OCC)n1 793436 ZNQCNLJAQOJHHO-QGZVFWFLSA-N 379.420 3.916 0 40 GHAB COc1ccc(Oc2coc3cc(OCC(=O)OC(C)C)ccc3c2=O)cc1 942573 IQPVEOMWHLKJEB-UHFFFAOYSA-N 384.384 3.924 0 40 GHAB biogenic Cc1ccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2cccnc2)cc1C 1362383 ZJFLQWDAFJQOGA-UHFFFAOYSA-N 395.532 3.953 0 40 GHAB Cc1cc2cc(CN(CCO)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1C 1371132 KTSHPYIZEOHUST-UHFFFAOYSA-N 399.878 3.825 0 40 GHAB O=C(CS(=O)(=O)c1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 1402813 BVZFBMYUNZRQKY-UHFFFAOYSA-N 377.771 3.771 0 40 GHAB CCOc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 1782091 CWAOBBCAEXYXSY-UHFFFAOYSA-N 380.444 3.880 0 40 GHAB O=C(Nc1ccc(Cl)cn1)c1cccc(C(=O)Nc2ccc(Cl)cn2)n1 2772658 RGVJJSSSMYPAHD-UHFFFAOYSA-N 388.214 3.683 0 40 GHAB COc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OC 3405812 XZCXUKVFDNWOAN-UHFFFAOYSA-N 391.367 3.532 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)CCC4)cc2)n1 3408528 FVRQFAYZRFXWIZ-UHFFFAOYSA-N 389.455 3.773 0 40 GHAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc3c(c1)OCO3)CSC2 4087570 NJSUFUQYAPVWMB-UHFFFAOYSA-N 379.441 3.909 0 40 GHAB Cc1ccn2cc(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc2c1 4248419 WWKNARFXUYEQGW-UHFFFAOYSA-N 377.469 3.788 0 40 GHAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)Cc2ccccc2)c2ccccc21 4555227 XIJAHLCJJHMWSX-RUZDIDTESA-N 385.463 3.931 0 40 GHAB CCOc1cc(C(=O)Nc2ccccc2)cc(I)c1OC 4705231 GFYJUFGIHYDKQH-UHFFFAOYSA-N 397.212 3.951 0 40 GHAB Cc1ccccc1NC(=O)CSc1nccn(-c2ccc(F)c(F)c2)c1=O 4853343 HHATTZYQLGIJEY-UHFFFAOYSA-N 387.411 3.550 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1C 4860830 XQEFCFJAAQWTNG-UHFFFAOYSA-N 380.832 3.907 0 40 GHAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)Nc3cccc(Cl)c3C)cc21 5252564 GCUXPQYRRDXCLV-UHFFFAOYSA-N 385.851 3.525 0 40 GHAB COc1ccc2c(c1)C(c1ccncc1)=NNC(c1ccc(OC)c(OC)c1)=N2 5703699 QQGRHRNPHJCPRK-UHFFFAOYSA-N 388.427 3.541 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H](C)Sc2ccccc2)c1C 5805512 NQYXQKKZDGKKNY-AWEZNQCLSA-N 389.473 3.715 0 40 GHAB C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)N1CCCC1 5989344 LFYCHUUMGRKKQC-QGZVFWFLSA-N 389.455 3.707 0 40 GHAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc(F)cc1 6251298 DNACQQDRXDXQCJ-UHFFFAOYSA-N 387.219 3.958 0 40 GHAB Cc1ccccc1[C@H]1C[C@@H](c2ccc(Br)s2)Nc2nnnn21 6303049 DIQRLWKZFNDCMC-NWDGAFQWSA-N 376.283 3.952 0 40 GHAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2ccccc2)cc1 6630388 VRKOSDXICHYYEJ-UHFFFAOYSA-N 390.439 3.871 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COCc2cc(-c3cccs3)on2)cc1 6876589 FUXSWBQEPQSXAG-UHFFFAOYSA-N 386.429 3.735 0 40 GHAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc1 6880810 PDJRLOHMBBKVFP-RERGGYADSA-N 377.462 3.853 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CSc1nccn(-c2ccccc2)c1=O 6915215 YXEYDZFPPZZXBJ-UHFFFAOYSA-N 385.876 3.925 0 40 GHAB CCOC(=O)c1cc(NC(=O)COC(=O)c2ccccc2Cl)ccc1Cl 6956124 KXKNECHLCXBHHK-UHFFFAOYSA-N 396.226 3.966 0 40 GHAB COc1ccc2ccc(OCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)cc2c1 7090009 AZMOMLNVFUMDKT-HNNXBMFYSA-N 390.439 3.991 0 40 GHAB COc1ccc(OCc2nnc(SCC(=O)c3ccc(C)s3)n2C)cc1 7393032 CLOPFZHSUBSFRE-UHFFFAOYSA-N 389.502 3.748 0 40 GHAB CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1 7780332 LGVQVLUFSHGFHB-JXMROGBWSA-N 396.434 3.945 0 40 GHAB Fc1ccc(-c2csc3ncnc(N4CCN(c5ncccn5)CC4)c23)cc1 8149545 MQWMAOSUODQDNX-UHFFFAOYSA-N 392.463 3.614 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)c1 8167186 FBCYIICKIHUMJB-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc2NC1=O 8312516 AANLQFHDKCSBTC-ZDUSSCGKSA-N 388.427 3.721 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 8489279 ICRIEMVYRSKAFE-LLVKDONJSA-N 389.473 3.929 0 40 GHAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)c1cc3ccccc3o1)C2=O 8503546 ZVGPRKHSPLMGTC-CLRXMSQOSA-N 397.475 3.501 0 40 GHAB COc1cc2oc(=O)c(CC(=O)Nc3nc4ccccc4[nH]3)c(C)c2cc1Cl 9060213 OBRMQQAWIMYUIC-UHFFFAOYSA-N 397.818 3.821 0 40 GHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCCn1ccc2ccccc21 9367722 MALPMBLMUDTRBO-IBGZPJMESA-N 379.485 3.651 0 40 GHAB O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(Cc2cccs2)c2ccccc21 9926034 OGDSGZXUUYNANL-XXBNENTESA-N 389.476 3.928 0 40 GHAB COc1ccc(-c2nc3s/c(=C/c4cccc5ccccc45)c(=O)n3n2)cc1 9971870 OYZYRFMKGKLETI-CPNJWEJPSA-N 385.448 3.528 0 40 GHAB COc1ccc(-c2nc(CSc3nc4ncccn4n3)cs2)cc1OC 10074329 RKBIOBLSDDUSCZ-UHFFFAOYSA-N 385.474 3.557 0 40 GHAB O=C(Nc1ccc(F)cc1)c1cc(N2CCCCS2(=O)=O)ccc1Cl 11999252 RSWGRUUFBVXYIA-UHFFFAOYSA-N 382.844 3.661 0 40 GHAB Cc1cc(C)n2nc(C3=CCN(C[C@@H](O)c4ccc(Cl)cc4)CC3)cc2n1 12233111 HTZKZMYSQRFSTK-HXUWFJFHSA-N 382.895 3.822 0 40 GHAB O=C(NCCc1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12389595 JVOOYMASZGBDKD-SFHVURJKSA-N 393.462 3.518 0 40 GHAB CC[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)Nc1cc(C)on1 12522035 QNOQTMFKADFVKT-CYBMUJFWSA-N 377.857 3.727 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(Cl)cc1 12548225 KQKRKVRIAIFMNN-LJQANCHMSA-N 391.862 3.983 0 40 GHAB CCN1CCc2nc(NC(=O)c3cc(Br)ccc3F)sc2C1 12785642 FZJSVXHDQXJRMB-UHFFFAOYSA-N 384.274 3.675 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 12879167 NMWWJWMGKMPZJD-NRFANRHFSA-N 391.471 3.618 0 40 GHAB Cc1ccc2oc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc(=O)c2c1 12905684 BTNXVCUJZQFTHZ-INIZCTEOSA-N 390.439 3.592 0 40 GHAB CC[C@H](C)C(=O)N1CCN([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 12941301 LAXVVUQDTNYBLH-KBPBESRZSA-N 376.888 3.641 0 40 GHAB COc1ccc(C(=O)[C@H](Sc2nnc(C)c(O)n2)c2ccc(OC)cc2)cc1 13598106 OPGXGCXGAUCDNN-GOSISDBHSA-N 397.456 3.619 0 40 GHAB COc1ccc([C@@H](NC(=O)c2cc(F)c(F)cc2Cl)c2nccn2C)cc1 16472902 ODTPZOUHMNYFCZ-QGZVFWFLSA-N 391.805 3.880 0 40 GHAB NCCn1nc([C@H]2CCN(Cc3cccc(Cl)c3Cl)C2)c2cccnc21 19292608 DUZXUJKMCUTLEG-AWEZNQCLSA-N 390.318 3.686 0 40 GHAB Clc1ccc(CN2CCc3nc([C@H]4CCCNC4)ncc3C2)cc1Cl 19292969 DVKWKYBJOUVIMM-AWEZNQCLSA-N 377.319 3.809 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)CCCO3)cs1)c1cc2c([nH]c1=O)CCC2 19346392 VALNSXXWJRPTOV-UHFFFAOYSA-N 393.468 3.564 0 40 GHAB CCCc1cc2c(cc1NC(=O)c1cnc(N3CCC[C@H](C)C3)nc1)OCO2 19525475 RKHOOTFWFDMOCD-AWEZNQCLSA-N 382.464 3.646 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)COc1ccc(F)cc1)Cc1ccccc1O2 19591968 IXMRHOIVELHBCP-UHFFFAOYSA-N 398.478 3.527 0 40 GHAB Cc1cc(C(=O)/N=c2\[nH]cc(-c3ccc(C)c(C)c3)n2C)c2c(C)noc2n1 19662736 ADFZFSKURFIOFZ-UHFFFAOYSA-N 375.432 3.531 0 40 GHAB CC(C)c1ncc(CN2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)cn1 19712628 DJHLJFRMNRMHAE-VWPQPMDRSA-N 378.520 3.627 0 40 GHAB Cn1c([C@@H]2CCCN(C(=O)c3c[nH]nc3-c3ccccc3)C2)nc2ccccc21 19714648 UZXNEAOEKSLANY-QGZVFWFLSA-N 385.471 3.983 0 40 GHAB Cc1nc([C@@H]2CCCN2C(=O)C2CCCC2)ncc1C(=O)Nc1ccccc1 19753523 DTVKVRCESUYWFP-IBGZPJMESA-N 378.476 3.891 0 40 GHAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1Cl 20043335 TWKRMMWCPSXBDF-UHFFFAOYSA-N 377.824 3.715 0 40 GHAB CCN(CC)CCn1c(=N)n(CCOc2cccc(Cl)c2)c2ccccc21 20069489 XZATYLJXPKAISX-UHFFFAOYSA-N 386.927 3.996 0 40 GHAB Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)oc2c1C(=O)CC(C)(C)C2 20547405 RTMQNRRZXXWEIA-UHFFFAOYSA-N 380.488 3.701 0 40 GHAB COc1ccc(C(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)cc1 21151421 QAFOHXAZCCRXEE-QHCPKHFHSA-N 389.499 3.563 0 40 GHAB COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccccc2F)c1 21821283 HMUWUJKKVVUBJH-UHFFFAOYSA-N 386.400 3.833 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(F)cc2Cl)nc2ccsc2c1=O 26099303 LACVJSCMTOMRCX-UHFFFAOYSA-N 383.857 3.518 0 40 GHAB COc1cccc(Cn2cc(NC(=O)c3ccc(Br)o3)cn2)c1 28220769 XQWYJOFFTSHDBK-UHFFFAOYSA-N 376.210 3.548 0 40 GHAB CN1CCN(C2(CNC(=O)Nc3cccc4ccccc34)CCCCC2)CC1 28579968 CAPCQIHDOZTYLL-UHFFFAOYSA-N 380.536 3.912 0 40 GHAB O=C(Cc1ccc(Br)cc1)Nc1cccc(CN2CCCC2=O)c1 30480842 VIQVXNIERAQHOX-UHFFFAOYSA-N 387.277 3.753 0 40 GHAB COc1cc(C(=O)N(Cc2ccc3cc[nH]c3c2)C2CC2)cc(OC)c1OC 32104769 BVKAWYXLKYAQJQ-UHFFFAOYSA-N 380.444 3.999 0 40 GHAB CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc2c(c1)OCCCO2 32513962 NEQSWWCPVVZYCM-UHFFFAOYSA-N 387.910 3.774 0 40 GHAB CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 32747878 YBSSVKLJQQCYLQ-SNVBAGLBSA-N 393.203 3.665 0 40 GHAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1)O[C@H](C)C2 32870479 ZKDAJTJWFPEPLG-KGLIPLIRSA-N 397.475 3.806 0 40 GHAB Cc1noc2ncc(C(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)cc12 32905867 UOWWPSDACCUDSR-LJQANCHMSA-N 381.432 3.820 0 40 GHAB COc1ccccc1-c1nc(COC(=O)CCNC(=O)c2ccccc2)cs1 32947097 UXAJULJRNKBJRK-UHFFFAOYSA-N 396.468 3.682 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1N 35288942 KYXSLRFTNSGIDI-UHFFFAOYSA-N 387.896 3.931 0 40 GHAB CCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C[C@H]1CCCO1 35312413 ONKQKULTJTYJPZ-OAHLLOKOSA-N 394.928 3.794 0 40 GHAB CCCn1ncc2c(C(=O)NCC[C@H](C)n3nc(C)cc3C)cc(C3CC3)nc21 36616814 WWEASGNRPYNLRC-HNNXBMFYSA-N 394.523 3.913 0 40 GHAB CN(C)c1ncccc1CNC(=S)NCCSc1ccc(Cl)cc1 36845756 MYNYHIAYBMDSNM-UHFFFAOYSA-N 380.970 3.557 0 40 GHAB COCc1c(C(=O)N2CCN(Cc3cccc(C)c3)CC2)oc2ccccc12 38377432 FSURPAKSBNYBLQ-UHFFFAOYSA-N 378.472 3.846 0 40 GHAB CCc1[nH]c(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(C)c1C(=O)OC 40013453 RKUWVOGFCLSOIO-INIZCTEOSA-N 380.448 3.526 0 40 GHAB O=C(NCCN1CCOCC1)c1sc2cc(C(F)(F)F)ccc2c1Cl 40073449 URONVIMGVOIBHX-UHFFFAOYSA-N 392.830 3.636 0 40 GHAB CC(=O)Nc1ccc(C(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1 40268169 AXCMRMKQQLMVKX-UHFFFAOYSA-N 397.434 3.905 0 40 GHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 41902713 YUGYCSCUTMQFOO-CQXHKVKOSA-N 386.458 3.556 0 40 GHAB O=C(NCc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 45201325 VJGUKOHYZUQIHB-UHFFFAOYSA-N 394.496 3.554 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3nc4c(s3)CCCC4)no2)cc1OC 46086422 JMVQUZIIESXYNH-UHFFFAOYSA-N 385.445 3.946 0 40 GHAB C[C@@H](C1CC1)N(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)C1CC1 47448287 AGVTYGNWQAMLBE-INIZCTEOSA-N 398.528 3.915 0 40 GHAB O=C1CCSc2ccc(C(=O)Nc3cccc(Oc4cnccn4)c3)cc2N1 48253574 YBVNNOIZFYVQCL-UHFFFAOYSA-N 392.440 3.956 0 40 GHAB Cc1ccc(C(=O)NCCCN(Cc2cccnc2)C(=O)OC(C)(C)C)cc1 48374056 VGNICFBXHIMEJP-UHFFFAOYSA-N 383.492 3.947 0 40 GHAB CCOc1ccccc1-n1nnnc1SCCCc1nc2ccccc2o1 48375470 SHBBDRDRGQWROP-UHFFFAOYSA-N 381.461 3.927 0 40 GHAB COc1cccc(N2CCN(C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2)c1 51117564 XWWVGSQDNIEHSY-LJQANCHMSA-N 380.410 3.570 0 40 GHAB COc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccc(F)cc1Cl 51357312 INIYXWRDFZTFEC-UHFFFAOYSA-N 386.206 3.614 0 40 GHAB CCN(CCCNC(=O)Cc1cc(=O)oc2cc(C)ccc12)c1ccccc1 58048532 DKUJHKSNDFPCIO-UHFFFAOYSA-N 378.472 3.677 0 40 GHAB COc1cccc(CN2CCC(NC(=O)[C@H]3CCCc4ccccc43)CC2)c1 58055444 OAUZFLOASDKQSS-QHCPKHFHSA-N 378.516 3.896 0 40 GHAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCCC1)Nc1ccccc1Cc1ccccc1 58174713 IFMQMWHNIQKFNZ-GMAHTHKFSA-N 393.531 3.900 0 40 GHAB O=C(c1ccncc1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1 63527486 UELRKWILVSDTKD-UHFFFAOYSA-N 398.470 3.888 0 40 GHAB COc1cc(C(=O)N2CCC2)ccc1OCc1ccc(Br)cc1 63680193 DPCCCHMVJSXERU-UHFFFAOYSA-N 376.250 3.883 0 40 GHAB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1cccnc1 64419028 RBJQCRWHKGPXFZ-UHFFFAOYSA-N 386.430 3.932 0 40 GHAB COC(=O)c1cc(OCC(=O)Nc2ccc(C)c(F)c2)c2cc(F)ccc2n1 65033296 IPMQCTZCZRRFSH-UHFFFAOYSA-N 386.354 3.626 0 40 GHAB C[C@H](C(=O)N1CCCCCC1)[S@@](=O)Cc1cc(Cl)c2c(c1)OCCCO2 69820362 NYFCWNHFMJFFBI-IYJVBRSBSA-N 399.940 3.541 0 40 GHAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C(/C#N)C(=O)O)cs1 71925905 ZUCOXJPSHMLCAQ-YHYXMXQVSA-N 381.335 3.838 0 40 GHAB Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cnn(C(C)C)c2)c1 72295576 HIKNVVVRGWMXBH-UHFFFAOYSA-N 398.488 3.826 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H]2c2nc(C)cc(Oc3ccccc3C)n2)cn1 72383972 MKTXNXLPIKZEPD-GOSISDBHSA-N 389.459 3.961 0 40 GHAB CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(O)c3ncccc13)C2=O 79191366 ITDXCUSKPAMAJV-UHFFFAOYSA-N 379.504 3.726 0 40 GHAB biogenic CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccc(SC)cc1 79492124 QTKKJRGAOINECQ-KRWDZBQOSA-N 391.518 3.901 0 40 GHAB Cc1cn2c(=O)c(C(=O)Nc3cccc4c3ccn4CC(C)C)cnc2s1 95480082 ILGPALRVWCKOEK-UHFFFAOYSA-N 380.473 3.927 0 40 GHAB COc1ccc2[nH]c(CSc3nnc4cc(C)c5ccccc5n34)nc2n1 95997513 RRJSXXQTCJCFNM-UHFFFAOYSA-N 376.445 3.763 0 40 GHAB CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(OC)cc1 96005558 GEEKFDGWZADAKP-INIZCTEOSA-N 377.485 3.949 0 40 GHAB O=C(c1cc2ccc(-c3ccc(F)cc3)cn2c1-c1cocn1)N1CCOCC1 96155496 GMKVMMAUARRSAA-UHFFFAOYSA-N 391.402 3.873 0 40 GHAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(N(C)C)cc4)sc3nc12 96347320 FPMRLWQOLGZOJY-UHFFFAOYSA-N 378.457 3.536 0 40 GHAB CCn1c(=O)c(C(=O)Nc2ccc(Br)cc2)c(O)c2ccccc21 100498480 ARSKGTVRMZEEPF-UHFFFAOYSA-N 387.233 3.742 0 40 GHAB COc1ccccc1C(=O)Oc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 100552566 MXOHBYVLFGGLKK-CALCHBBNSA-N 379.412 3.594 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3C(c4ccccc4)=NN(c4ccccc4)[C@H]3C2=O)cc1 100739665 AZEUNCWIFNZFJC-RBBKRZOGSA-N 381.435 3.778 0 40 GHAB CCCOc1ccc(N2C(=O)C[C@H](N(Cc3ccccc3)C(=O)CC)C2=O)cc1 100845467 FBZVZKIKBBIGSH-FQEVSTJZSA-N 394.471 3.546 0 40 GHAB COC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118931394 JBYDGFJFASWXRX-GNNLBPBMSA-N 392.536 3.865 0 40 GHAB CC(=O)OC[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](CO)[C@H](CC[C@H]12)C3 169645738 DZEHIJAJXCHJAY-RNXAVOFCSA-N 378.509 3.636 0 40 GHAB biogenic,in-vitro CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 222537251 ZDWRGRKINGIYJE-OAHLLOKOSA-N 390.936 3.737 0 40 GHAB CCn1c(Cl)nc2cc(C(=O)NCCC(=O)Nc3ccccc3C)ccc21 222552140 ALOROFQKSUQJKY-UHFFFAOYSA-N 384.867 3.777 0 40 GHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 223999270 YWWPQFFURAIBRS-MOPGFXCFSA-N 379.441 3.889 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl 224673778 MUXSVXQZDMRTGN-OAHLLOKOSA-N 390.886 3.964 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 225052918 UMDWDAUNRDIUOV-OALUTQOASA-N 382.504 3.706 0 40 GHAB CCN(c1ccccc1Br)S(=O)(=O)c1ccc(OC)c(F)c1 225102611 UDLMGBQOKRSOCZ-UHFFFAOYSA-N 388.258 3.812 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F 225247281 IFTKLRHGXPUPSM-HZPDHXFCSA-N 388.458 3.839 0 40 GHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1OCC 225609635 MIAZLAWNMFVFOH-AWEZNQCLSA-N 381.469 3.971 0 40 GHAB COc1ccc(CNC(=O)NCc2cncc(-c3cccs3)c2)cc1OC 225668197 HKDOBLAMTWWDAV-UHFFFAOYSA-N 383.473 3.827 0 40 GHAB Cc1ccccc1OCC(=O)Nc1cc(Br)c2nc(N)sc2c1 226312185 VACLIBSGZONIQZ-UHFFFAOYSA-N 392.278 3.967 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H]2c2cc(-c3c(C)noc3C)nc(C)n2)cn1 257314201 UVTFPDCWFCVJSP-IBGZPJMESA-N 377.448 3.738 0 40 GHAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2CN(Cc3ccccc3F)C[C@H]21 306125000 CEGZCGAYZJEYKX-DENIHFKCSA-N 394.471 3.643 0 40 GHAB Cc1cccc(CN2CCO[C@@H](c3cn4c(-c5ccncc5)cccc4n3)C2)n1 306127965 GMFOVKURNVVDSJ-JOCHJYFZSA-N 385.471 3.673 0 40 GHAB COc1ccc([C@H](C)NC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)cc1F 527636848 YBWGZNNNKHNDSN-HNNXBMFYSA-N 396.466 3.908 0 40 GHAB Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H](C)C(=O)NCc2ccc(C(=O)O)cc2)C1 574762985 CYBHMDUFPSMAOR-ABSDTBQOSA-N 380.488 3.576 0 40 GHAB C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1C[C@H]2[C@H](N)CCC[C@H]2C1 580834674 QTPHAGQQPSOJCA-PIKOESSRSA-N 379.504 3.865 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)CCc2nc(O)c3ccccc3n2)cc1F 618395890 IRCMNNBKTJHMNC-SFHVURJKSA-N 395.434 3.779 0 40 GHAB C[C@H](c1ccccc1)n1cc(NC(=O)N2CCCC[C@H]2c2cnn(C)c2)cn1 646448384 YLJMATCDWDJOFF-UZLBHIALSA-N 378.480 3.985 0 40 GHAB CN(Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1cccc(O)c1 668803202 JWAGOKYDLXDXFJ-UHFFFAOYSA-N 381.501 3.989 0 40 GHAB COc1ccc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c(C)c1 1615129206 LLGYTTZUGBUOFX-HSZRJFAPSA-N 398.478 3.541 0 40 GHAB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)nn3C)C2)n1 1775969526 BAPBJEYNGXIHCO-GOSISDBHSA-N 390.487 3.722 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@@H](N(C)c2ncccc2C(F)(F)F)C1 1889136265 YMYVMUPYTZRGKB-GFCCVEGCSA-N 384.427 3.606 0 40 GHAB CN(C(=O)c1cc2ccc(F)cc2[nH]1)[C@H]1CCC[C@H](Oc2ccccc2)[C@H]1O 2037850004 GLQOURYYDTZZKV-ACRUOGEOSA-N 382.435 3.740 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@](O)(COc2ccccc2)CC1 2037909240 HNMJOIBESLKNTC-QHCPKHFHSA-N 378.472 3.533 0 40 GHAB CCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2O)cc1 783869 LWUKVCGJQBUSRO-SFHVURJKSA-N 378.350 3.564 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)o2)cc1 857421 CVDFODRJZPVAFF-UHFFFAOYSA-N 383.429 3.679 0 40 GHAB Cc1ccc(NCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)n2C)cc1 905049 XSGYFHKNOLUMQH-IYBDPMFKSA-N 387.553 3.617 0 40 GHAB COc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(OC)c3)nc2)c1 1353022 UVGRESQZEDQWOY-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB COC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)sc2c1CCC2 2340855 HUKQOGBNTFFMKG-UHFFFAOYSA-N 397.452 3.999 0 40 GHAB CCCn1nc(C(=O)Nc2ccc3nc(C)sc3c2)c2ccccc2c1=O 2634672 RTCVJYQAXQBCEU-UHFFFAOYSA-N 378.457 3.977 0 40 GHAB C[C@H](NC(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3)c1ccccc1 2653274 ZICAAUYBFUVRIM-HNNXBMFYSA-N 377.440 3.885 0 40 GHAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 3252545 UPDFFRNGNMGTCD-UHFFFAOYSA-N 390.642 3.602 0 40 GHAB O=C(CSc1ccc(-c2cccnc2)nn1)Nc1nc2ccccc2s1 4358159 LXABNDXLSHZIFU-UHFFFAOYSA-N 379.470 3.879 0 40 GHAB CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 4891924 GQGHGLHJLGMZOD-UHFFFAOYSA-N 392.496 3.516 0 40 GHAB O=C(Nc1ccccc1Cl)NC1(C(=O)NCc2ccncc2)CCCCC1 4927462 GXGQNGMUAHLMQS-UHFFFAOYSA-N 386.883 3.876 0 40 GHAB CCOCCCNc1c(C)c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn12 4966212 JTSJYWDRBJIPBO-UHFFFAOYSA-N 384.480 3.869 0 40 GHAB COc1cccc(C(=O)N(c2ccc(C(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)c1 5081659 PSSTUVJDNMUSLK-LJQANCHMSA-N 385.485 3.776 0 40 GHAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1cccc(Br)c1 5154040 YQONZHUQWJTKSV-UHFFFAOYSA-N 385.261 3.927 0 40 GHAB COc1ccc2c(C)cc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)nc2c1 5688559 WVAYALVZWGRCCN-UHFFFAOYSA-N 394.452 3.858 0 40 GHAB COC(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 6051688 CAGDVQMQRSQKHK-QHCPKHFHSA-N 394.471 3.738 0 40 GHAB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccccc2)CC1 6306553 JIPFGAAKJNZNOQ-OUKQBFOZSA-N 377.488 3.643 0 40 GHAB Cc1cc(C(=O)CSc2nccn2C)c(C)n1Cc1ccc2c(c1)OCO2 6370064 XMWZCXCLZZXFSX-UHFFFAOYSA-N 383.473 3.590 0 40 GHAB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1ccccc1OC(F)F 6506903 OTLPIZIYBMYTDN-UHFFFAOYSA-N 389.387 3.543 0 40 GHAB CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)NCc2ccc(F)cc2)cc1 6507259 ORZJWXILCDNOIM-UHFFFAOYSA-N 399.462 3.946 0 40 GHAB COc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c(OC)c1 6616577 VUUKXCYHKPRNCK-GOSISDBHSA-N 387.505 3.961 0 40 GHAB COc1ccc(CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1OC 6908335 ASHKKDDJQRYRHQ-KRWDZBQOSA-N 399.516 3.733 0 40 GHAB COc1ccc(-n2ccnc2S[C@H](C(=O)NC2CC2)c2ccccc2)cc1 6935141 PVVXZYUAZWPLQZ-IBGZPJMESA-N 379.485 3.993 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccncc2)C1=O)Nc1ccc(F)c(Cl)c1 6969818 BXORSBKXRVDSBZ-VGOFMYFVSA-N 391.811 3.549 0 40 GHAB CCOc1ccc(NC(=O)C[C@@H]2SC(Nc3ccc(C)cc3)=NC2=O)cc1 7127539 WPVLIEHYDCXZJG-KRWDZBQOSA-N 383.473 3.832 0 40 GHAB C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C)c1ccc2c(c1)CCCC2 7191832 LWWWALFTNWZXEK-AWEZNQCLSA-N 396.516 3.923 0 40 GHAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CCSc1ccc(Cl)cc1 7191845 WRWXSESLDTWLLJ-LJQANCHMSA-N 388.876 3.662 0 40 GHAB COc1cccc(CN(C)S(=O)(=O)c2cc(Br)ccc2C)c1 7684807 UHOWILPMHUQELJ-UHFFFAOYSA-N 384.295 3.587 0 40 GHAB COc1cc(/C=C/c2noc(-c3ccccc3OC(C)=O)n2)ccc1OC(C)=O 7781985 GYJWYELCIVGMGC-PKNBQFBNSA-N 394.383 3.766 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 7988774 JNYXSTWCDRZPDH-OAQYLSRUSA-N 379.481 3.804 0 40 GHAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 8194058 QXXFTIDDWFRUGE-UHFFFAOYSA-N 378.837 3.589 0 40 GHAB COc1cccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 8248787 HSKPBMDYTZEGNL-UHFFFAOYSA-N 384.439 3.873 0 40 GHAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1F 8308545 UQDCPDYZWPVGHB-GFCCVEGCSA-N 380.847 3.955 0 40 GHAB O=C(CCCC(=O)OCC(=O)Nc1ccc(F)cc1)Nc1ccc(Cl)cc1 8417495 NBUJIFANQJNBJR-UHFFFAOYSA-N 392.814 3.770 0 40 GHAB N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(O)cc1)C(=O)O 8627795 AOGPWKNXGPIRNB-FQEVSTJZSA-N 379.481 3.829 0 40 GHAB CCCCn1c(SCC(=O)N[C@H](C)CC)nc2sc(C)c(C)c2c1=O 8753963 OPBKJIRGYRRNBX-LLVKDONJSA-N 381.567 3.882 0 40 GHAB COc1ccc(CCC(=O)Nc2nnc(Cc3ccccc3OC)s2)cc1 9095537 YDUZGVBKKLIFMB-UHFFFAOYSA-N 383.473 3.717 0 40 GHAB COc1cccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCOCC3)n2)c1 9708945 KZNBVXAHEZWGPX-UHFFFAOYSA-N 392.463 3.512 0 40 GHAB Cc1ccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 10010091 IALHWOVQTTZTCM-UHFFFAOYSA-N 390.530 3.510 0 40 GHAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)NC[C@H]3CCCO3)s2)cc1C 10212293 DKGTXIYEIRULLT-DZGCQCFKSA-N 392.550 3.674 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)cnc12 11075834 XNTKYXLZWCBBPA-UHFFFAOYSA-N 398.466 3.502 0 40 GHAB CC(C)n1ncc2c(C(=O)Nc3cccc(C(N)=O)c3)cc(-c3ccco3)nc21 11226448 UCCZCBCVTPCVRD-UHFFFAOYSA-N 389.415 3.623 0 40 GHAB CC(C)(C)Nc1c(C2CCN(C(=O)CCc3ccno3)CC2)nc2ccccn12 12127883 JQTZKRBUDUTAPU-UHFFFAOYSA-N 395.507 3.872 0 40 GHAB CC(=O)NC1(c2ccccc2)CCN(C[C@@H](O)c2ccc3c(c2)CCCC3)CC1 12188481 ISHOFTFWUJPENM-XMMPIXPASA-N 392.543 3.726 0 40 GHAB O=C(NC1(CCc2ccc(NC(=O)C3CC3)nc2)CCCCC1)c1cccnc1 12337906 DYHDFTQYEIKLRR-UHFFFAOYSA-N 392.503 3.891 0 40 GHAB COc1cc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc(OC)c1OC 12406601 PJKYMOULVPJUHH-UHFFFAOYSA-N 384.407 3.531 0 40 GHAB COCCCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1 12419558 BTGNBCHINWAELU-UHFFFAOYSA-N 378.475 3.684 0 40 GHAB Cc1ccc(-n2c(C)nn(CN3CCN(c4ccccc4O)CC3)c2=S)cc1 12517611 JPBTWMXJLVFFKX-UHFFFAOYSA-N 395.532 3.505 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1)OCc1ccccc1 12607220 WGFHENBOWVRKHW-FQEVSTJZSA-N 375.428 3.558 0 40 GHAB COC(=O)c1ccc(CNC(=O)NCc2ccc3cc(OC)ccc3c2)cc1 12731907 SQHOUDWCPORFAH-UHFFFAOYSA-N 378.428 3.634 0 40 GHAB Cc1ccc(Cc2cnc(NC(=O)CNC(=O)c3ccco3)s2)cc1Cl 12770797 CSNDELZETRKYIX-UHFFFAOYSA-N 389.864 3.657 0 40 GHAB COc1nc(N)nc2sc(C(=O)NCC3(c4ccccc4)CCCC3)cc12 12786467 PAICZFBMAJHNQT-UHFFFAOYSA-N 382.489 3.524 0 40 GHAB CC(=O)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1 12821292 BEDLOSUKHKCGDN-UHFFFAOYSA-N 381.819 3.649 0 40 GHAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c4ncccc34)CC2=O)c1 12894797 FJNQNKVCONOJSQ-ZDUSSCGKSA-N 395.846 3.888 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 12928644 PFYGWDGBWRDSAW-HOTGVXAUSA-N 375.472 3.812 0 40 GHAB CCn1c(=O)n(CCC(=O)Nc2cccc(Br)c2)c2ccccc21 12993483 RZIBDCQAQGZRLJ-UHFFFAOYSA-N 388.265 3.614 0 40 GHAB O=S(=O)(CCCOc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 13521766 RCHBWLUPSGNSBR-UHFFFAOYSA-N 391.508 3.879 0 40 GHAB COc1ccccc1/C=C1\SC(=O)N(CCC(=O)Nc2ccccc2)C1=O 13573530 GPHWEDJXACKJLR-LGMDPLHJSA-N 382.441 3.760 0 40 GHAB Cc1ccc(O[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(Br)c1 14086544 WNNJCDJNIFSKDU-GOSISDBHSA-N 390.277 3.736 0 40 GHAB COc1ccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 15734153 QSYGONBKRDWKLY-UHFFFAOYSA-N 399.472 3.564 0 40 GHAB O=C(NCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 15789971 FVCMQBCZVORNBP-UHFFFAOYSA-N 390.461 3.618 0 40 GHAB CC(=O)N1CCC(c2ncc3c(n2)CCN(Cc2cc4ccccc4o2)C3)CC1 19016870 DTYPEJGYKXZCEL-UHFFFAOYSA-N 390.487 3.507 0 40 GHAB COc1ccccc1-c1cc(C(=O)N2CCCCC[C@@H]2c2ccn(C)n2)no1 19291032 RDBBWMAYNLNOFJ-GOSISDBHSA-N 380.448 3.841 0 40 GHAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc2ccccc2oc1=O 19372889 PWVBCQWHONTDOK-FQEVSTJZSA-N 399.450 3.845 0 40 GHAB COc1ccc(Cc2cnc(NC(=O)c3ccc(C(C)C)[nH]c3=O)s2)cc1 19453139 IIDGXKNCLASTPT-UHFFFAOYSA-N 383.473 3.807 0 40 GHAB Cc1c(C(=O)N2CCC[C@H](c3n[nH]c4nccnc34)C2)[nH]c2ccc(Cl)cc12 19565360 OCEFMTGFQCGWFP-LBPRGKRZSA-N 394.866 3.816 0 40 GHAB Cc1ccc2c(c1)cc(C(=O)N[C@@H](CCN1CCOCC1)c1ccccc1)n2C 19661307 SWFIBFDKHKICHC-NRFANRHFSA-N 391.515 3.680 0 40 GHAB CCCCC(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O 19939572 WZBJIELYCQMDMA-LJQANCHMSA-N 395.425 3.783 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)N[C@H](C)c1cccc(Br)c1 20030064 MJDFYQIHUARAGF-SNVBAGLBSA-N 388.258 3.636 0 40 GHAB Cc1cc(NC(=S)NC(=O)C2(c3ccccc3)CCCC2)cc(C(=O)O)c1O 20153562 BBJQBDMIRNNWPB-UHFFFAOYSA-N 398.484 3.724 0 40 GHAB Cc1sc2c(c1C)CN(CCCN1CCOCC1)CN2C(=O)c1ccccc1 20192899 ZXMHDZCDSJPOAR-UHFFFAOYSA-N 399.560 3.507 0 40 GHAB O=C(CN1CCOCC1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 21822379 WDPGDMJGEBMHRU-DEOSSOPVSA-N 399.494 3.850 0 40 GHAB Cc1ccccc1NC(=O)[C@H](C)SC1=Nc2ccccc2C2=N[C@H](C)C(=O)N12 21935668 MOCDTCRIANAOHI-KGLIPLIRSA-N 392.484 3.734 0 40 GHAB Cc1ccc(C)c(-n2c(S[C@@H]3CCCCNC3=O)nc3ccccc3c2=O)c1 22202290 BEAHCYDOMXUDDP-LJQANCHMSA-N 393.512 3.763 0 40 GHAB O=C(CN1CCN(Cc2cccc3ccccc23)CC1)N1CCc2ccccc2C1 22803145 APYLIFZBPKWPBY-UHFFFAOYSA-N 399.538 3.542 0 40 GHAB COc1ccc([C@H](CC(=O)OCc2nc3ccccc3s2)NC(C)=O)cc1 23037913 WXBBZYITNQTFSB-KRWDZBQOSA-N 384.457 3.616 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccn2)cc1 23080173 MPDPXCOKSRJIAQ-UHFFFAOYSA-N 381.457 3.549 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)N(C)C 23178516 DGXAQOINOKOXGC-GOSISDBHSA-N 390.911 3.925 0 40 GHAB O[C@H](CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 23466527 MMKMHGULHLNONU-MRXNPFEDSA-N 385.817 3.609 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)oc2C)cc1 24983782 DHQVWXVPOMDPRL-UHFFFAOYSA-N 390.486 3.735 0 40 GHAB CCNC(=O)[C@@H](C)NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 25681655 QLNMIPKTRAFPKZ-CQSZACIVSA-N 379.485 3.732 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2ccc(OCC(C)C)cc2)N2CCOCC2)cc1 27583914 XUDVSFOGLLMFDU-QHCPKHFHSA-N 396.531 3.833 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)cc1 27752576 RWSFIACECBYWNN-IBGZPJMESA-N 382.460 3.565 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(Cl)cc1 28189282 DPJNKBMPWWZCPO-UHFFFAOYSA-N 383.882 3.662 0 40 GHAB CC[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)CCO1 30762727 AEMWKJWVBQAVEY-SFHVURJKSA-N 391.471 3.799 0 40 GHAB COc1cc(-c2nnc3n2N=C(c2ccc(C)cc2)CS3)cc(OC)c1OC 30782025 NKDYFHYVADOIDJ-UHFFFAOYSA-N 396.472 3.637 0 40 GHAB CC1CCN(CCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 30872502 ZWQIHGINLGJYDR-UHFFFAOYSA-N 388.533 3.879 0 40 GHAB CCCOc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(OC)nn2)cc1 32074212 ASGYDRLASKSUPK-INIZCTEOSA-N 393.447 3.892 0 40 GHAB Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cnn1-c1ccccc1F 32762482 OUPFEQWLVBYERM-IBGZPJMESA-N 398.507 3.948 0 40 GHAB O=C(CCNC(=O)c1ccccc1)NCc1ccc(OCc2ccccc2)cc1 32796492 XMNABRHCHZRHRH-UHFFFAOYSA-N 388.467 3.702 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)c1 32833742 SCNUKVWKVLDQBB-UHFFFAOYSA-N 382.441 3.664 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(Cl)cc1Cl 32929764 BMRZQOWQZVYJTC-VXGBXAGGSA-N 378.321 3.698 0 40 GHAB C[C@H]1CCC[C@@H](NC(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)[C@@H]1C 32957465 RQYHGRKSCNFSKA-BXTJHSDWSA-N 383.488 3.948 0 40 GHAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)sc1C 32996089 QOOZWZDLLXOIHE-UHFFFAOYSA-N 390.486 3.689 0 40 GHAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)c1cccc(C(F)(F)F)c1 35592926 IIXYAHVCGFWDSR-SFHVURJKSA-N 378.394 3.509 0 40 GHAB Cc1nn(C)cc1-c1nn2c(Cc3c(Cl)cccc3Cl)nnc2s1 36358588 LEGXLOACEIYMTI-UHFFFAOYSA-N 379.276 3.792 0 40 GHAB CCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 39985162 MDZPCHCKVCFNGQ-UHFFFAOYSA-N 387.288 3.643 0 40 GHAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 40122030 HFINDSNGITWEDR-UHFFFAOYSA-N 398.331 3.582 0 40 GHAB O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1ccc(F)c(F)c1 40134514 VGDFUVXENNDZPB-UHFFFAOYSA-N 398.207 3.878 0 40 GHAB CC(C)(C)C1=C[C@@]2(C(C)(C)C)[C@@H]3C=C[C@@H]3[C@@H]1n1c(=O)n(-c3ccccc3)c(=O)n12 45071316 NTWZKDXZDZYCLR-MIVVTYSHSA-N 391.515 3.885 0 40 GHAB Cc1c(C(=O)Nc2ncn(Cc3ccccc3)n2)oc2c1C(=O)CC(C)(C)C2 54236776 ZWYFIMIRPKYXBM-UHFFFAOYSA-N 378.432 3.635 0 40 GHAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(C(C)C)cc3)CC2)cc1C 57486156 VMZBQNXLPMSLSL-UHFFFAOYSA-N 393.531 3.823 0 40 GHAB CCCCn1c(=O)[nH]c2cc(-c3nc(-c4cccc(Cl)c4)no3)ccc2c1=O 57510638 DQSPXMPOEPQMHF-UHFFFAOYSA-N 396.834 3.860 0 40 GHAB Cc1nc([C@@H](NC(=O)c2cc(-c3cccc(Cl)c3)on2)c2ccccc2)n[nH]1 57796391 MJBSYAXPEFRTTN-SFHVURJKSA-N 393.834 3.941 0 40 GHAB COC(=O)C1(c2ccccc2)CCN(C(=O)c2cn(C)c3ccccc23)CC1 58570972 WVKCTXDAXRABKJ-UHFFFAOYSA-N 376.456 3.525 0 40 GHAB O=C(OCc1ccccc1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)O2 71289253 MRFUNZCTJSMQEH-UHFFFAOYSA-N 384.407 3.954 0 40 GHAB Cc1nc(C(=O)N2CCC[C@@H](c3cccc(-n4ccnc4C(C)C)n3)C2)co1 72379260 UBODJVQTOATAGY-MRXNPFEDSA-N 379.464 3.707 0 40 GHAB C[C@H]1CCCN(c2ncc(-c3cncn3Cc3ccccc3CN(C)C)cn2)C1 72391890 FJYHZKOBKYUKSF-SFHVURJKSA-N 390.535 3.686 0 40 GHAB COc1ccc(Nc2ncccc2NC(=O)c2cc3c([nH]c2=O)CCCC3)cc1 79095070 UNCFWZGZZXGOMU-UHFFFAOYSA-N 390.443 3.653 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2nnn(-c3ccccc3)c2C2CC2)c(OC)c1 84651687 SZYPIQPEHKKLLZ-CQSZACIVSA-N 392.459 3.653 0 40 GHAB Cc1nn(C)c(C)c1/C=C(\[C@@H](O)c1ccc(Cl)cc1Cl)n1cncn1 85905714 FBGSUFAVICBVTR-BNSMALCHSA-N 378.263 3.667 0 40 GHAB O=C(Nc1cnccc1-n1cccn1)c1cc(Br)ccc1Cl 95394720 QMQYJASSXBBNBK-UHFFFAOYSA-N 377.629 3.936 0 40 GHAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)C[C@@H](O)C(F)(F)F 95464850 ONXPDKJDTDQYRG-LLVKDONJSA-N 378.803 3.767 0 40 GHAB COc1ccc(NC(=O)O[C@H]2COCCN(c3nc4ccccc4s3)C2)cc1 96269047 WUOMURZUVHZZLY-MRXNPFEDSA-N 399.472 3.759 0 40 GHAB biogenic,in-vitro CCc1noc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1 100155862 OHRFTXVFQGVLBM-GASCZTMLSA-N 395.463 3.694 0 40 GHAB NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCC[C@H]2C2CCC2)c1 102869843 FBJGCMZISJVZQY-FQEVSTJZSA-N 378.472 3.769 0 40 GHAB COC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 113873839 IQRDOAPAIGLRNJ-UHFFFAOYSA-N 388.272 3.670 0 40 GHAB O=C1CCCc2cc(NC(=O)c3ccn(-c4c(F)cccc4F)n3)ccc2N1 176474416 FQKVFDRSDAZVQW-UHFFFAOYSA-N 382.370 3.678 0 40 GHAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1 222562783 CLBBJGXXYKJKPH-UGKGYDQZSA-N 380.532 3.994 0 40 GHAB CCCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 222775868 UZDUYSFKMVPOHE-LJQANCHMSA-N 382.504 3.789 0 40 GHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(CC)c2)c1 223685359 KBIKCMMDEHZQEB-UHFFFAOYSA-N 377.462 3.544 0 40 GHAB COc1cccc(OC)c1CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 223731713 CQAAGGDIQYEBET-UHFFFAOYSA-N 390.288 3.831 0 40 GHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(CC)cc1 224085828 PANMQVNXHUNKAN-LJQANCHMSA-N 380.532 3.778 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 224209661 NBTNBTPTHQUGJZ-QFIPXVFZSA-N 396.531 3.934 0 40 GHAB O=C(NCC1=CCCCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1 224238396 SWVNYIVHCDVUMU-UHFFFAOYSA-N 376.503 3.779 0 40 GHAB OC1(c2csc(CN3CCc4ccccc4C3)n2)CCN(C2CCC2)CC1 225473456 IVRYIRKOYUHJEK-UHFFFAOYSA-N 383.561 3.537 0 40 GHAB biogenic,in-vitro COc1ccccc1CC(=O)N1CCC(Oc2cccc3cccnc23)CC1 238887492 QFSPPCXEMZPRIV-UHFFFAOYSA-N 376.456 3.856 0 40 GHAB CC(C)n1cnc2cc(C(=O)N(CC(=O)O)Cc3cccc(F)c3F)ccc21 257207607 BILYJQBOYOIECE-UHFFFAOYSA-N 387.386 3.622 0 40 GHAB C[C@]12CCCN(C(=O)c3ccnc(Cc4ccccc4F)c3)[C@H]1CCCCN2 257211000 BXBILYGLWDWHFE-GMAHTHKFSA-N 381.495 3.948 0 40 GHAB O=C(COc1cccnc1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257225262 FFMZIZCIMLFPMN-KRWDZBQOSA-N 395.434 3.585 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@](C)(c3ncc(Cc4ccccc4F)o3)C2)cn1 257292997 QNTDKAZSFPJSMH-QFIPXVFZSA-N 394.450 3.697 0 40 GHAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)c3cccc(F)c3)C2)cn1 257302984 SFHGGSFTJRFDAI-HNNXBMFYSA-N 380.423 3.592 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3c(C)noc3C)nc(C)n2)cn1 257314202 UVTFPDCWFCVJSP-LJQANCHMSA-N 377.448 3.738 0 40 GHAB CCOc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 408707777 LWMYMSVTYHWAEX-SFHVURJKSA-N 396.487 3.542 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575613014 NTQZVDPPSUIMDZ-NSHDSACASA-N 386.761 3.834 0 40 GHAB Cc1ccc(Nc2nc([C@@H]3CCCN3C(=O)/C=C/c3cnn(C)c3)cs2)nc1 585291931 VUMBVMRTXCJRHW-JKNJVXJCSA-N 394.504 3.701 0 40 GHAB Cc1nn(C)cc1[C@H](C)NC(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 654452312 RFWQVXIFBOSTPG-NSHDSACASA-N 382.386 3.677 0 40 GHAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N[C@@H]1CCN(C(C)(C)C)C1 664427286 ZJKAGGNJZYNPFQ-GOSISDBHSA-N 383.540 3.668 0 40 GHAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2ccccc2F)C1 1889176683 WRPIVOXXPSLGLF-CYBMUJFWSA-N 381.373 3.981 0 40 GHAB CNC(=O)C[C@H]1CC2(CCN(Cc3cccc(OC)c3)CC2)c2cc(F)ccc21 2055812438 WFLDQARXWCKSJJ-SFHVURJKSA-N 396.506 3.992 0 40 GHAB CCCOc1c(Br)cc(C(=O)NCCc2ccco2)cc1OC 24586900 PFPSNFMNXRKQDJ-UHFFFAOYSA-N 382.254 3.812 0 40 GHAB Cn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)N1CCCCC1 890246 OFCHZIGHRCYIPF-UHFFFAOYSA-N 396.516 3.652 0 40 GHAB COc1ccc(S(=O)(=O)n2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1 1388997 CRVPYKQWIRPDDN-UHFFFAOYSA-N 397.481 3.919 0 40 GHAB aggregator Cc1noc(C)c1CCC(=O)NCCn1ccc2ccc(Br)cc21 79491483 PMBBDURYDDOXDO-UHFFFAOYSA-N 390.281 3.758 0 40 GHAB Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1 1463531 OFUHPZBVPUJZPB-UHFFFAOYSA-N 392.546 3.713 0 40 GHAB CCOCCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O 2973435 FYQGKVOEJMJIQY-UHFFFAOYSA-N 382.485 3.798 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccco3)c2)cc1 3215895 ZRAZZUQCMWAKLJ-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB Cc1sc(-n2cccc2)c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1C 25153767 GVFWQTGRSYOLSM-UHFFFAOYSA-N 393.512 3.754 0 40 GHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 107133972 TZWWLNMJJCOSBT-JYJNAYRXSA-N 381.442 3.965 0 40 GHAB C[C@@H](NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1)[C@H]1CCCO1 6525010 PPELJGSARQLMGI-FXPVBKGRSA-N 379.810 3.677 0 40 GHAB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 6962333 XSFWTDIGHZYUNI-YDZHTSKRSA-N 391.427 3.565 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)Nc3cccc(OC(C)C)c3)CC2=O)cc1 6962961 PLZPALLXEJWKTE-MRXNPFEDSA-N 382.460 3.864 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1c(Cl)cc(Cl)cc1Cl 7779619 LHHJMQHNHAYGQR-UHFFFAOYSA-N 382.634 3.995 0 40 GHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1nc(Cl)ccc1Cl 26567488 PJHHPCBSRIZEJJ-UHFFFAOYSA-N 379.291 3.701 0 40 GHAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1cccc(F)c1)S(C)(=O)=O 10329880 DEAAZWWHPXLQJJ-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB CC(C)(C)[C@H](NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1cc2ccccc2o1 108382563 FBSJFDYPOXRBOK-CNNODRBYSA-N 386.536 3.847 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)N(C)C4CCCCC4)cc3)C(=O)[C@H]2C1 8473027 PLOIKRPPHXRLNL-UXHICEINSA-N 380.488 3.937 0 40 GHAB CCC[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2cccc(OC)c2)CC1 57669479 BXCJZRZVOPDDFF-NRFANRHFSA-N 398.555 3.850 0 40 GHAB CC(C)c1noc([C@@H](C)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)n1 27305518 OZFUWMONLHUNGH-GFCCVEGCSA-N 384.402 3.678 0 40 GHAB COC(=O)C1(C)[C@@H]2C3C4[C@H]([C@H]5CCC[C@@H]5[C@H]41)[C@@](C)(C(=O)OC)[C@H]3[C@H]1CCC[C@@H]12 104294646 VLVOBUAZWXZPNE-ZPOQBLGISA-N 386.532 3.929 0 40 GHAB CCOC(=O)c1ccc2nc(C)cc(NC(=O)Cc3ccccc3C(=O)O)c2c1 72401074 NAKRHZCSPADSGX-UHFFFAOYSA-N 392.411 3.599 0 40 GHAB O=C(NCc1coc(-c2cccs2)n1)c1cccc(Nc2ncccn2)c1 28105360 QCUSPFDOJGDWQX-UHFFFAOYSA-N 377.429 3.867 0 40 GHAB COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2F)N2CCCC2)cc1 28232042 WEQRAIKPUZZDQQ-OXJNMPFZSA-N 386.467 3.555 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)OCc1ccccc1Br 25115942 NNUUWPNNRRBFSP-UHFFFAOYSA-N 388.261 3.862 0 40 GHAB C[C@@H]1c2cccn2CCN1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 36395139 MMPBJCQRMVUHDO-SJORKVTESA-N 394.544 3.881 0 40 GHAB CCOC(=O)[C@@](NC(=O)Nc1ccc(O)cc1)(c1ccccc1)C(F)(F)F 2307974 XNQRDTCMTZHLJL-KRWDZBQOSA-N 382.338 3.535 0 40 GHAB Cc1cc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)ccc1N1CCCC1=O 11743319 BUEDWKIBPPJVCA-GOSISDBHSA-N 395.484 3.563 0 40 GHAB CCCn1c(=O)n(C[C@H](O)COc2cccc3ccccc23)c2ccccc21 58611281 ZPDNQYWQQMDGES-SFHVURJKSA-N 376.456 3.806 0 40 GHAB CS(=O)(=O)Cc1ccc(C(=O)N(c2ccccc2)C2Cc3ccccc3C2)o1 95962908 AEFJYYYNWZMNOD-UHFFFAOYSA-N 395.480 3.638 0 40 GHAB CCC(=O)N1N=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccc2nccnc2c1 12391409 PDQJPHVOJRNVQB-IBGZPJMESA-N 390.443 3.735 0 40 GHAB COCCCN1COc2ccc3c(=O)c(Oc4ccccc4OC)coc3c2C1 12442568 SVERGNZNGMBFGG-UHFFFAOYSA-N 397.427 3.782 0 40 GHAB biogenic Cc1cc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(Cl)cc2)no1 12527826 XELMAWXLUGCHAV-UHFFFAOYSA-N 384.823 3.939 0 40 GHAB O=C(Cc1nc2ccccc2n1C[C@H](O)c1ccccc1)NCc1ccccc1 12506543 VLHNCHNDGBIXBW-QFIPXVFZSA-N 385.467 3.629 0 40 GHAB Cn1c(SCCOc2ccc(Br)cc2)nnc1-c1ccncc1 3307400 LOMSSLJVQMYHBP-UHFFFAOYSA-N 391.294 3.811 0 40 GHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1F)n2Cc1ccccc1 12506463 UMVBNOGSNZCWCH-UHFFFAOYSA-N 392.434 3.541 0 40 GHAB COc1ccc(C)cc1/C=C/C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 12547900 YDXYEOJKWQDSAY-YRNVUSSQSA-N 375.428 3.620 0 40 GHAB COC(=O)/C=C/c1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(F)c2)c(OC)c1 12770050 ASSQLUPKPAHBJF-DNGMOHDESA-N 387.407 3.735 0 40 GHAB COc1ccc(CCC(=O)Nc2cccc(-c3ccn[nH]3)c2)c(OC)c1OC 48367884 BUEKGEYMHLLHFM-UHFFFAOYSA-N 381.432 3.674 0 40 GHAB CCc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)N(C)C)cc1 12883851 GCMCWJOWLKICHX-IFXJQAMLSA-N 397.544 3.714 0 40 GHAB CCOc1ccccc1NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 113956549 SKBMXZRMXQDQAS-UHFFFAOYSA-N 390.505 3.579 0 40 GHAB Cc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3ccccc3F)CC2)cc1 20140428 SIEBBIGVFWPFEI-NRFANRHFSA-N 394.498 3.613 0 40 GHAB C[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccccc1Br 12914137 SPBWNSJRPACDEU-CYBMUJFWSA-N 390.281 3.838 0 40 GHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)c(OC)c1 9318087 IOWPRJQBCNRWSG-GFCCVEGCSA-N 399.834 3.928 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1 5017170 XSXRRQGFNQEAJS-SNVBAGLBSA-N 387.490 3.611 0 40 GHAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccn2)N1c1ccccn1 5323541 SLUSCSWBPKHDRQ-GOSISDBHSA-N 389.798 3.986 0 40 GHAB O=C1C[C@@H](N2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccccc1 14196535 SJKZCGQKDXNGND-GOSISDBHSA-N 391.496 3.808 0 40 GHAB O=C1c2ccccc2S(=O)(=O)N1CCSc1cc(Cl)ccc1Cl 5467043 KDDWQKQHWSLLOU-UHFFFAOYSA-N 388.297 3.930 0 40 GHAB C[C@@H](NC(=O)CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 4746754 VYTGQOFEYQMTCH-GOSISDBHSA-N 397.494 3.522 0 40 GHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2CC(C)C)cc1 4738764 SHIZAVDNLZQZGI-LJQANCHMSA-N 395.459 3.517 0 40 GHAB Cc1ccc(CNC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)o1 4827727 WMLWWVNLHBFIQH-HSZRJFAPSA-N 399.450 3.931 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(C)cc1)S2 6811876 ZKFUXPSUDJKJSM-RTBURBONSA-N 393.516 3.855 0 40 GHAB COc1ccc(OC)c(CNC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)c1 27502801 WRXPMDFOJJKCCL-BJMVGYQFSA-N 381.350 3.932 0 40 GHAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)CCn3c(=O)oc4ccccc43)o2)cc1 7226028 PDCXKNCJEAKRPV-CQSZACIVSA-N 393.399 3.647 0 40 GHAB COc1cc(C(=O)N2CCc3cc4cccc(C)c4nc32)cc(OC)c1OC 15842024 BXNLEMMQVBUODG-UHFFFAOYSA-N 378.428 3.772 0 40 GHAB O=C1c2ccccc2N[C@H](c2cc3c(cc2Br)OCO3)N1C1CC1 7886160 QNOIYBMPMBRIQH-KRWDZBQOSA-N 387.233 3.907 0 40 GHAB Cc1cc(SCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)nc2ccccc12 7988748 KSDJSZXXYBHOPQ-UHFFFAOYSA-N 394.456 3.720 0 40 GHAB CS(=O)(=O)N(CCCC(=O)NC1CCCCCC1)c1cccc(Cl)c1 8041416 OXXRSRLSGOTPHS-UHFFFAOYSA-N 386.945 3.725 0 40 GHAB Cc1cccc(NC(=O)COc2ccc(C(=O)Nn3c(C)ccc3C)cc2)c1 8120824 JNJAHDYMVVDGRR-UHFFFAOYSA-N 377.444 3.815 0 40 GHAB CN(c1ccc(-c2csc(COc3ccc(F)cc3)n2)cc1)S(C)(=O)=O 16941354 LLXHCXDRPJISJU-UHFFFAOYSA-N 392.477 3.924 0 40 GHAB CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)c1 8325376 PPRXHKZXXUJZJC-HXUWFJFHSA-N 393.439 3.692 0 40 GHAB CCOc1ccc(NC(=O)[C@H]2CC(=O)Oc3c2c(C)nn3-c2ccccc2)cc1 8559678 LVIJEBWKPCCMBN-SFHVURJKSA-N 391.427 3.611 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)Cc2coc3c(C)c(C)ccc23)c1C 9784352 ITHQAIKXGYEXIL-UHFFFAOYSA-N 397.427 3.750 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3ccc(OC(=O)Cc4ccccc4)cc3)C(=O)[C@H]2C1 17986992 ZVSKWBTWFREMIV-UXHICEINSA-N 375.424 3.680 0 40 GHAB Cc1noc(C)c1C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 8777957 RFIDJCGDRYTFMM-UHFFFAOYSA-N 393.399 3.567 0 40 GHAB Cc1cccc(N2CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)c1C 8747170 ZFUAFTZIPQLWPY-UHFFFAOYSA-N 390.487 3.635 0 40 GHAB COc1ccccc1N1CCN(C(=O)Cc2coc3cc(C)cc(C)c23)CC1 8846148 JOYRHOLBDBPHQB-UHFFFAOYSA-N 378.472 3.950 0 40 GHAB C[C@H](Cc1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1)c1ccccc1 9095526 AGHDWORXPOMYPL-CYBMUJFWSA-N 397.456 3.631 0 40 GHAB O=C(c1ccsc1)N1CC[C@]2(C1)Cn1c(-c3cccc(F)c3)cnc1CO2 306129814 INSVJJGDBQSDDO-FQEVSTJZSA-N 383.448 3.566 0 40 GHAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 89518915 YRNGCHOFIOKSSY-SKVICXGVSA-N 389.370 3.988 0 40 GHAB O[C@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 22408810 JLFDEKIBQJZANC-QFIPXVFZSA-N 399.898 3.762 0 40 GHAB Cc1ccc(N(CCCC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 113955254 QVNUWWITYJKCLR-MRXNPFEDSA-N 392.496 3.558 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CCCCCCC1 408583612 IQXYAISFXYOLKJ-MRXNPFEDSA-N 388.533 3.736 0 40 GHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)C1(C)C 27988807 HJFHVMGLJCACES-SWLSCSKDSA-N 378.519 3.877 0 40 GHAB Cc1cc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)ccn1 527538230 JVMKNXFZMABIDC-LJQANCHMSA-N 375.476 3.745 0 40 GHAB COc1cccc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccc2)c1 306123513 APDWXVPDKRSAJI-DHIUTWEWSA-N 387.483 3.578 0 40 GHAB O=C(COc1ccc(F)c(Cl)c1)Nc1cccc(-c2nnc3n2CCC3)c1 32760665 AQKMWUBLKKPGSQ-UHFFFAOYSA-N 386.814 3.701 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)CC(C)C)cc3)o2)cc1 39744846 CTTMVAXSZLLFHQ-UHFFFAOYSA-N 394.431 3.982 0 40 GHAB CCN(CC)C(=O)CN1CCC[C@@H](c2cccc(-c3ccc(OC)cc3)n2)C1 72348754 RNJVUGOMMWTFGW-LJQANCHMSA-N 381.520 3.805 0 40 GHAB COCc1nn2c(-c3c(O)oc(C)cc3=O)ccnc2c1-c1cccc(Cl)c1 1547204218 UWISXBHKAWGOAX-UHFFFAOYSA-N 397.818 3.830 0 40 GHAB COc1cc2s/c(=N/C(=S)NC(=O)c3ccc(C)cc3)[nH]c2cc1Cl 32126950 HAGJAGPPRDTJJU-UHFFFAOYSA-N 391.905 3.815 0 40 GHAB O=C(Cc1ccc(-n2cccn2)cc1)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 558600869 WLDWVFOIBAYUCZ-JOCHJYFZSA-N 395.890 3.586 0 40 GHAB CC(C)Oc1cc(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)nn1C 72243354 ZZODYHYSUQSLIT-UHFFFAOYSA-N 390.896 3.914 0 40 GHAB CCCc1ncc(CN2CCCC[C@H]3CN(C(=O)Cc4ccsc4)C[C@H]32)cn1 72330663 OLQHSJJRQYHTAW-VQTJNVASSA-N 398.576 3.546 0 40 GHAB Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 44852593 JULNHOGUGNQMSV-SFHVURJKSA-N 384.495 3.930 0 40 GHAB CCOC(=O)c1cnc(NC(=S)NCc2ccc(Cl)cc2Cl)nc1C 225196439 RYBCEAMQQCHJKL-UHFFFAOYSA-N 399.303 3.755 0 40 GHAB CCc1ccccc1OCC(=O)Nc1nn2c(-c3cccc(C)c3)nnc2s1 41076444 KMUUYPHHSLUZOH-UHFFFAOYSA-N 393.472 3.741 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1cc(C2CC2)on1 77200678 YBGAJSWTTBETOC-LJQANCHMSA-N 377.444 3.674 0 40 GHAB CCC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C 225136067 YPVPEAOQFKCMCG-NRFANRHFSA-N 382.504 3.570 0 40 GHAB CCOc1ccc(NC(=O)N2CCN(CCc3ccccc3)CC2)cc1OCC 43416846 IAGJUFJUQLHRDL-UHFFFAOYSA-N 397.519 3.876 0 40 GHAB CN(C)C(=O)c1ccc(NC(=S)NCCCc2ccccc2Cl)cc1 225542319 YITSZDQENLQWPK-UHFFFAOYSA-N 375.925 3.961 0 40 GHAB COc1ccc(O)c(NC(=O)COc2ccc(OCc3ccccc3)cc2)c1 533991565 MQNLZMQOJKSBHE-UHFFFAOYSA-N 379.412 3.997 0 40 GHAB CNC(=O)C[C@H]1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)c2ccccc21 96241919 FXIHWUWREWFRAA-KRWDZBQOSA-N 380.488 3.694 0 40 GHAB CC(C)c1ccc(N(CC(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1 243023364 HYQWGCDEOKEUOO-UHFFFAOYSA-N 394.924 3.546 0 40 GHAB COc1ccccc1C(=O)NC[C@H]1CC[C@H](c2ccnc3cc(C)nn32)CC1 257236464 HCIMJLQQFRUOQH-QAQDUYKDSA-N 378.476 3.750 0 40 GHAB O=C(c1ncccn1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257285844 PJDIVPVRWZYQAH-OAHLLOKOSA-N 382.851 3.729 0 40 GHAB CNC(=O)[C@]1(c2ccccn2)CCCN1Cc1ccccc1OC1CCCC1 257221110 DNNRSNIDBSZQDM-HSZRJFAPSA-N 379.504 3.640 0 40 GHAB c1ccc(CO[C@H]2CSC3(C2)CN(Cc2ccc4ccccc4n2)C3)nc1 253595651 HAAXOLPOOHPJDO-HXUWFJFHSA-N 377.513 3.907 0 40 GHAB COc1ccc(COCc2cccc(NC(=O)N3CC4(CCCO4)C3)c2)cc1 626331557 LNNNVWCKWVBGAR-UHFFFAOYSA-N 382.460 3.809 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc1OC 96119585 KCMHREWHGMJTQR-UHFFFAOYSA-N 379.416 3.807 0 40 GHAB CSc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1 72393103 PSONCXOJFOZXBT-GOSISDBHSA-N 392.528 3.933 0 40 GHAB C[C@H]1CN(Cc2ccc(CNC(=O)CCc3ccccc3F)cc2)C[C@@H](C)O1 40087467 IYSVGIYQIQPONC-HDICACEKSA-N 384.495 3.684 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)n1 1615156074 JUHRBVTZJXKBJE-QFIPXVFZSA-N 384.499 3.689 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3cccc(F)c3F)C2)CN1c1cccc(F)c1 1615154900 IWOKAMPYYRRALB-OAQYLSRUSA-N 390.405 3.502 0 40 GHAB Cc1cc(OS(=O)(=O)c2ccc(Br)cc2)n(-c2ccccc2)n1 11691537 CBEVUBPZKJZLKD-UHFFFAOYSA-N 393.262 3.711 0 40 GHAB O=C(CSc1ccc(NC(=O)c2cccs2)nn1)Nc1ccccc1F 11739426 RDGGZMVAVPDKFF-UHFFFAOYSA-N 388.449 3.660 0 40 GHAB CCOC(=O)Cc1c(C)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c1=O 13110936 SECZUPZDXPZFPL-UHFFFAOYSA-N 387.439 3.771 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711894 AHIPUZOEMJCLIC-KSSFIOAISA-N 394.924 3.762 0 40 GHAB CCn1c(=O)n(Cc2cc(OC)c(Br)cc2OC)c2ccccc21 14809881 UTYBHDAILHIXTH-UHFFFAOYSA-N 391.265 3.651 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(F)ccc2C)cc1 18078699 LRPYQWHBTSWECY-UHFFFAOYSA-N 392.496 3.736 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H]2c2nc(C)ncc2-c2ccncc2C)cn1 19239856 HZOKQOMYWAHUEO-IBGZPJMESA-N 389.459 3.536 0 40 GHAB COc1ccc(-c2nc(C(=O)Nc3cccc(Cn4cncn4)c3)cs2)cc1 19717308 RBCPGSIPRCPDBI-UHFFFAOYSA-N 391.456 3.711 0 40 GHAB O=C(O)/C(=C\c1ccc(N2CCOCC2)cc1)Sc1nc2ccccc2[nH]1 7342978 ROJLLXPWYWDHQU-QGOAFFKASA-N 381.457 3.617 0 40 GHAB C=CCOc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br 6295856 MYUGRDRGVVLEFI-UVTDQMKNSA-N 375.266 3.980 0 40 GHAB O=S(=O)(c1ccccc1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19373695 AITLDGXEAROSLL-HBMCJLEFSA-N 388.508 3.515 0 40 GHAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccccc1Br)c1cccs1 10139906 AZSDDDBHYGNQBJ-ABAIWWIYSA-N 395.322 3.955 0 40 GHAB COc1ccc(-c2cc(NC(=O)CCn3cncn3)ccc2OC(F)F)cc1 24029601 IPNPMALBWBWWOB-UHFFFAOYSA-N 388.374 3.584 0 40 GHAB Cc1nn(CCNC(=O)c2cc(-c3ccccc3)nn2C)c(C)c1-c1ccccc1 238901688 ROGFWTYDDSOQOA-UHFFFAOYSA-N 399.498 3.997 0 40 GHAB CCc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)s1 23127644 JGKSDKNAWPVCTA-UHFFFAOYSA-N 378.563 3.501 0 40 GHAB Cc1ccc(C)c2sc(N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)nc12 2086868994 OUUOOEXXHMZBEL-UHFFFAOYSA-N 383.521 3.527 0 40 GHAB O=C(Cc1ccc(F)cc1)Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1 35597380 WNYPXZBIYOIGFD-UHFFFAOYSA-N 388.406 3.726 0 40 GHAB COc1cc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1C 40106693 HFAFQMHGTLLHJO-UHFFFAOYSA-N 393.409 3.816 0 40 GHAB CCc1ccc(C(=O)NCc2ccc(OC[C@@H]3CCCO3)c(OC)c2)s1 40107506 ORHCRFLAVLGZCY-HNNXBMFYSA-N 375.490 3.807 0 40 GHAB COc1cc(C(=O)N2CCCC[C@@H]2CCN2CCCCC2)cc(OC)c1OC 21170458 AHYSEOYQNHTYIK-GOSISDBHSA-N 390.524 3.583 0 40 GHAB CSc1cccc(N2C[C@H](C(=O)N[C@H](C)c3nc4ccccc4[nH]3)CC2=O)c1 32738357 KLEXKYMVUQAWCY-ZIAGYGMSSA-N 394.500 3.515 0 40 GHAB CCOc1ccccc1CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 32888422 NKGSDBBMGKKYJK-UHFFFAOYSA-N 381.472 3.951 0 40 GHAB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1C 102955137 ZLRKOXGHYJOIQM-YQQAZPJKSA-N 388.537 3.742 0 40 GHAB CN(C(=O)Cn1cnc2c(-c3ccccc3)csc2c1=O)c1ccccc1 23126355 BBYLXQGIRIAGFN-UHFFFAOYSA-N 375.453 3.788 0 40 GHAB O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)N1 1053506 IFCYYYYBFIPTHG-VGOFMYFVSA-N 381.190 3.892 0 40 GHAB CCCCN(C(=O)c1cc(CN2CCC(O)CC2)on1)C1CCCCCC1 67871824 CLNRLGWMWSNBLI-UHFFFAOYSA-N 377.529 3.596 0 40 GHAB CC(C)(C)c1cc(NCCOCCO)n2ncc(-c3ccc(Cl)cc3)c2n1 2327807 KFBXYKNBSOBEJK-UHFFFAOYSA-N 388.899 3.768 0 40 GHAB CCCCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 2689531 JMACERUWTKVUBI-UHFFFAOYSA-N 394.880 3.587 0 40 GHAB COc1cc2c(cc1OC)-c1cc(Nc3ccc4c(c3)CCC4)nc(=O)n1CC2 2451004 QRODJSXPAQQFCP-UHFFFAOYSA-N 389.455 3.716 0 40 GHAB CCCCn1c(SCC(=O)NC2CCC(C)CC2)nc2ccccc2c1=O 6034829 ZXGRZIMZXXIIDE-UHFFFAOYSA-N 387.549 3.984 0 40 GHAB C[C@@](O)(c1ccncc1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 6208060 SPWJGMUNZCZADU-OAQYLSRUSA-N 378.453 3.529 0 40 GHAB Cc1ccc(OCC(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)c(C)c1 6415163 GFKJVVOBDXCKBH-UHFFFAOYSA-N 397.500 3.767 0 40 GHAB Cc1ccc2nc(CSCC(=O)Nc3cccc(Cl)c3C)cc(=O)n2c1 7145751 OUMYQXICCWKMGP-UHFFFAOYSA-N 387.892 3.837 0 40 GHAB CCn1ccc(-c2cc(C(=O)N[C@H](C)CCc3ccco3)c3c(C)noc3n2)n1 36618001 ILKMZCGSBQYBTH-CYBMUJFWSA-N 393.447 3.759 0 40 GHAB O=C(CCn1nc(O)c2ccccc2c1=O)Nc1ccccc1-c1cccs1 29122041 BICPLCQXPHYRKF-UHFFFAOYSA-N 391.452 3.859 0 40 GHAB COc1ccc(C(=O)NC2CCN(C(=S)Nc3cccc(C)c3)CC2)cc1 8666973 RPGNMPBHRUWDCE-UHFFFAOYSA-N 383.517 3.595 0 40 GHAB O=C(Nc1ccccc1)C1CCN(C(=O)CN2CCC[C@@H]2C2CCCCC2)CC1 52131692 ZGDYZSJJNRTHSM-JOCHJYFZSA-N 397.563 3.908 0 40 GHAB CSc1ncc(Cl)c(C(=O)NCc2ccc(OC(F)(F)F)cc2)n1 32753479 IIJCNHVASFMRTR-UHFFFAOYSA-N 377.775 3.681 0 40 GHAB O=C(c1sc2cc(F)ccc2c1Cl)N1CCN(C[C@H]2CCCO2)CC1 60391714 LVVLWXJZGDOIDA-CYBMUJFWSA-N 382.888 3.631 0 40 GHAB Cc1cc(Br)c(S(=O)(=O)n2cnc3ccccc32)cc1Cl 54363146 RJKNJSPCJMIKRQ-UHFFFAOYSA-N 385.670 3.998 0 40 GHAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 20458173 GTBSMDITHIQMHM-FQEVSTJZSA-N 390.505 3.719 0 40 GHAB CC1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 46897789 XVIHBULPIBRRPC-OAQYLSRUSA-N 391.515 3.661 0 40 GHAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)OCc1c(F)cccc1Cl)(C3)C2 103260735 CZGOZQUQTBJFLA-RCRDTURJSA-N 379.859 3.997 0 40 GHAB O=C(NC1CCCC1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 23175235 ROYJPOYXKBZUKR-UHFFFAOYSA-N 396.871 3.952 0 40 GHAB O=C(CSc1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1ccco1 8346293 DYCCHNNGIBLVPP-UHFFFAOYSA-N 397.504 3.702 0 40 GHAB COC(=O)c1c(NC(=O)c2cn(C)nc2C)sc2c1CC[C@H](C(C)(C)C)C2 1097823 MIOFBPMIWXJEIP-LBPRGKRZSA-N 389.521 3.980 0 40 GHAB COc1cc2ncnc(NC[C@H](O)c3ccc4ccccc4c3)c2cc1OC 1405992 APFXUOIBPCBSTB-IBGZPJMESA-N 375.428 3.946 0 40 GHAB CN(Cc1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 55866909 BFSMRAKJAZROQE-UHFFFAOYSA-N 387.439 3.906 0 40 GHAB CCOC(=O)c1cnc(S[C@H](C)c2nc3ccccc3n2C(F)F)nc1N 12525701 AYJIYWJJQOCNMQ-SECBINFHSA-N 393.419 3.834 0 40 GHAB O=C(Cn1c(Cc2cccc3ccccc23)nc2ccccc21)N1CCOCC1 25969914 OLGSLCCBOBXHCR-UHFFFAOYSA-N 385.467 3.639 0 40 GHAB Cc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccc(F)cc3)n2)cc1 57486889 XOFKEZPVZVGKHQ-UHFFFAOYSA-N 390.418 3.969 0 40 GHAB CC(C)Cn1c(SCC(=O)Nc2ccccc2F)nc2ccsc2c1=O 57426239 MNEVTTGGQLLTLM-UHFFFAOYSA-N 391.493 3.984 0 40 GHAB Cc1cc(=O)n(CC(=O)N[C@@H]2CCc3ccccc32)c(-c2cccc(Cl)c2)n1 57527010 VZRIZJIBTKJLGV-LJQANCHMSA-N 393.874 3.676 0 40 GHAB O=C(Cc1ccccc1)Nc1ccc2sc(C(=O)N3CCOCC3)cc2c1 408713411 XITQSUFMZAXZNZ-UHFFFAOYSA-N 380.469 3.555 0 40 GHAB COc1ccc(OC)c(NC(=O)COC(=O)Cc2cccc3ccccc23)c1 3219304 ODFAPOGWRVLQTQ-UHFFFAOYSA-N 379.412 3.581 0 40 GHAB Cc1ccc(CNC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1F 27172214 YVMLKUCZOKWDEN-OAQYLSRUSA-N 376.431 3.922 0 40 GHAB CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 2096485 FERXOJLCIZZBGE-AWEZNQCLSA-N 389.448 3.927 0 40 GHAB biogenic S=c1oc(-c2ccco2)nn1CN1CCN(c2cccc(Cl)c2)CC1 58165807 OWEKNENKHZVNCA-UHFFFAOYSA-N 376.869 3.899 0 40 GHAB COCc1c(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)oc2ccccc12 58202429 GGJNZKASBUNMOJ-UHFFFAOYSA-N 379.391 3.834 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C)cc2O)cc1 12854766 YTRWGQGDNZDERU-UHFFFAOYSA-N 384.461 3.659 0 40 GHAB CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1cccs1 3466070 ZYAQJDJRWVNIQW-UHFFFAOYSA-N 376.482 3.574 0 40 GHAB COc1ccccc1[C@H](CNC(=O)COc1cc(C)ccc1C(C)C)N(C)C 7671221 DZALFGIYBJCLSO-FQEVSTJZSA-N 384.520 3.925 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)N[C@H](C)c3cc(C)ccc3C)C(=O)[C@@H]2C)cc1 12980923 SIIGTEHIMBUZJG-MSOLQXFVSA-N 393.487 3.646 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2cccc(Cl)c2C)cc1 22277693 IVCZCLRGBHCRJK-UHFFFAOYSA-N 394.924 3.677 0 40 GHAB O=C(COc1ncnc2ccc(Br)cc12)Nc1cc(F)ccc1F 7779320 GLVRNYWYUUCVMY-UHFFFAOYSA-N 394.175 3.688 0 40 GHAB CC[C@H](C)NC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 4090021 XCUQPMVNMGZFRC-ZDUSSCGKSA-N 399.487 3.679 0 40 GHAB biogenic COc1ccc2nc(SCc3nc(-c4ccc(OC)c(OC)c4)no3)[nH]c2c1 7901422 CXQNWFCLQDMGLH-UHFFFAOYSA-N 398.444 3.931 0 40 GHAB CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2ccc(Cl)cc2Cl)CC1 4241851 CAPSYUXZWSWZFV-CQSZACIVSA-N 389.279 3.672 0 40 GHAB C[C@H]1CCCN(C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)CC1 68783501 PRYKSZGQGGUFLX-ZDUSSCGKSA-N 375.469 3.726 0 40 GHAB NC(=O)Nc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 8093751 ZMGCYHVMEBPRTM-AWEZNQCLSA-N 380.473 3.807 0 40 GHAB CC(=O)N1CCN(c2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2)CC1 5347601 LZJRQPIFCFUMAR-UHFFFAOYSA-N 396.878 3.742 0 40 GHAB CCOC(=O)c1cnn2ccc(NC(=O)c3cc4cccc(OC)c4o3)cc12 90607187 QALZTLFFLCFTMS-UHFFFAOYSA-N 379.372 3.518 0 40 GHAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1 14229244 PJQRGBAWNFWJSN-UHFFFAOYSA-N 382.460 3.779 0 40 GHAB O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(Cc2ccco2)CC1 14251583 KTBRKCFQGLBEHD-UHFFFAOYSA-N 376.456 3.817 0 40 GHAB CCCn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc2c1=O 8195353 YJBFADRARGKBTH-UHFFFAOYSA-N 393.512 3.878 0 40 GHAB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)NCCc1ccc(F)cc1 14703360 QTQNVBAYVCYGNJ-UHFFFAOYSA-N 398.478 3.658 0 40 GHAB C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)N[C@H](C)c1ccc(F)cc1 4890879 OTBVZBMIUCPCHK-CHWSQXEVSA-N 388.443 3.904 0 40 GHAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1Br 6850091 MYMOARJKWDCRAC-LLVKDONJSA-N 382.279 3.598 0 40 GHAB COc1cc(OC)c(N[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1Cl 7092611 IHUKLTRSTWPLJO-LLVKDONJSA-N 392.839 3.568 0 40 GHAB Cc1ccccc1C(=O)N1CC[C@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306123444 ANDJXGMGDCYILR-QHCPKHFHSA-N 391.446 3.813 0 40 GHAB Cc1ccc(S(=O)(=O)Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 8715529 XKQBJIDHLJYCOT-UHFFFAOYSA-N 396.493 3.934 0 40 GHAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(C)cc1C 408645280 JRXWNRQWRNXCDV-UHFFFAOYSA-N 382.460 3.766 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 9550309 FIROUCYKLGHZJX-SFHVURJKSA-N 389.411 3.557 0 40 GHAB COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccc(NC(C)=O)cc3)c(C)c12 9253335 YOHNGRPAPXCYQL-UHFFFAOYSA-N 394.427 3.558 0 40 GHAB Cc1cc(Br)c(O)c(C(=O)NC[C@H](c2cccs2)N(C)C)c1 84074626 PJUKKWGFOWZLAF-CYBMUJFWSA-N 383.311 3.557 0 40 GHAB C[C@@H]1CCc2c(C(=O)NCCCC3(C4OCCO4)CCOCC3)csc2C1 72305412 PSGSLRMJYMWQGV-OAHLLOKOSA-N 393.549 3.553 0 40 GHAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2Br)c(C)c1 72333768 LHKMNLRICQZKAC-UHFFFAOYSA-N 376.250 3.539 0 40 GHAB CC[C@H](C)n1c(SCC(=O)Nc2cccc(F)c2)nc2cc(C)[nH]c2c1=O 67239087 PTHQPZUGKWNTJE-LBPRGKRZSA-N 388.468 3.874 0 40 GHAB O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)Nc2ccccc2)C1)C1CCCC1 95998799 RXZTZLXKWYZGRM-INIZCTEOSA-N 381.480 3.950 0 40 GHAB C[C@H](NCc1ccc(Cn2cncn2)cc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 95996224 WUYUBSFUXRSZCJ-PXNSSMCTSA-N 399.539 3.594 0 40 GHAB O=C1COc2ccc(C(=O)N(Cc3cc(F)ccc3F)C3CCCC3)cc2N1 79050144 IWEVFYLVBDJPKF-UHFFFAOYSA-N 386.398 3.881 0 40 GHAB O=C(CSCc1ccccc1)N1N=C2CCCCC[C@H]2[C@]1(O)C(F)(F)F 409356013 DPNOENHIWAFDMS-PBHICJAKSA-N 386.439 3.949 0 40 GHAB Cc1ccc(F)cc1-n1nnc(C(=O)NCc2ccccc2C(F)(F)F)c1C 67264007 YOFYTNUTQVMSHV-UHFFFAOYSA-N 392.356 3.972 0 40 GHAB C[C@H](Oc1cccc2ccccc12)C(=O)NC[C@H](CO)Cc1ccncc1Cl 550106090 ABKJPSPLUVBSSI-JKSUJKDBSA-N 398.890 3.623 0 40 GHAB Cc1cccc(CN2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 306139151 SQOSNPRMTWUMNQ-JOCHJYFZSA-N 385.471 3.673 0 40 GHAB COC(=O)c1c(NC(=O)c2ccc(Cn3ccnc3)cc2)sc2c1CCCC2 38857972 ZYFOKEXORSSLTG-UHFFFAOYSA-N 395.484 3.911 0 40 GHAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)c3ccccc3)n2C)c1 33864492 INURQQWEPVVTLB-OAHLLOKOSA-N 394.500 3.590 0 40 GHAB CC(C)CCNS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)c(C(=O)O)c1 217653541 TUPWYIUPHOTKNI-OAHLLOKOSA-N 390.505 3.882 0 40 GHAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 219061645 VHUNWWRUTBQNMO-GUYCJALGSA-N 395.908 3.778 0 40 GHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1ccc(OC)cc1 32866818 WDQLYCKWFUWFNX-OAHLLOKOSA-N 386.517 3.835 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 36623457 IOWGSXNUCRDMCO-MRXNPFEDSA-N 386.517 3.525 0 40 GHAB COc1cccc(O[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 216422515 YEXYIUJSQKEXSY-MRXNPFEDSA-N 388.895 3.773 0 40 GHAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72349725 VFZRLIXKMOTRQX-GOSISDBHSA-N 379.504 3.559 0 40 GHAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1)C1CC1 72398564 UXKVFKQCAIBIIK-UTKZUKDTSA-N 385.458 3.839 0 40 GHAB O=C1CC[C@@H](c2cccc(N[C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)c2)N1 561235305 WAHCLGOKTZRSGU-VQTJNVASSA-N 399.441 3.519 0 40 GHAB CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224889924 FSEYCMHKXHUAIZ-UHFFFAOYSA-N 397.294 3.623 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1 223958416 ZDTYDDRXNKMUTC-OALUTQOASA-N 378.457 3.810 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 224828761 RDEGRWVVAAMHDV-UHFFFAOYSA-N 392.952 3.946 0 40 GHAB C[C@@H]1CCCN(c2cc(N3CCCC3)nc(NC(=S)NC3CCCC3)n2)C1 226005161 VAPRXZSHYMNBBE-OAHLLOKOSA-N 388.585 3.542 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 223020261 XQPDKSSZVXIVKB-UXHICEINSA-N 396.491 3.630 0 40 GHAB O=C(Nc1c(F)cccc1F)c1cccc(S(=O)(=O)N2CCCCCC2)c1 45829678 NWASOBPOPKFDPI-UHFFFAOYSA-N 394.443 3.782 0 40 GHAB CCOc1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 224205473 ASGSMHDRQZBAQI-QNGOZBTKSA-N 390.439 3.766 0 40 GHAB COc1ccc(CNC(=O)NCc2cccnc2-c2ccsc2)cc1OC 225648539 ULJJRWUWQDHJIT-UHFFFAOYSA-N 383.473 3.827 0 40 GHAB O=C(NCc1nnc(C2CC2)s1)N1CCn2c(cc3c(Cl)cccc32)C1 576008555 AOFMCVUXMOTPQE-UHFFFAOYSA-N 387.896 3.749 0 40 GHAB O=C(OC1CN(c2nc3ccccc3s2)C1)c1cc(-c2ccccc2)on1 77200625 ZGKYZXHGTATIGK-UHFFFAOYSA-N 377.425 3.997 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 95531885 PEJXTLNZRZRCNI-FKBYEOEOSA-N 384.435 3.733 0 40 GHAB C[C@@H]1CN(C(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)C[C@@H](C)O1 96147664 XHLXYNLONBWICB-HUUCEWRRSA-N 394.450 3.538 0 40 GHAB CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(Cc1ccccc1F)CC2 96260513 PUNUTFCBMFCXQC-UHFFFAOYSA-N 398.526 3.591 0 40 GHAB C[C@@H](NC(=O)c1cc(-n2cccc2)ccc1Cl)c1ncc(C(=O)O)s1 1593145287 BTSHMXODFCVXMH-SNVBAGLBSA-N 375.837 3.776 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC[C@@H](O)CN1CCN(c3ccc(F)cc3)CC1)C2 230006385 PCYLJSIICAVAJD-JDLLUZBXSA-N 390.543 3.540 0 40 GHAB Cc1nn(Cc2cccc(F)c2)c(C)c1NS(=O)(=O)c1cccc(F)c1 96286875 PCHQUCJDKLOLFN-UHFFFAOYSA-N 377.416 3.627 0 40 GHAB CCOC(=O)c1cnc(NC[C@H](c2ccc(Cl)cc2)n2ccnc2)nc1C 585139184 LRBKOOJLDCOIJZ-QGZVFWFLSA-N 385.855 3.513 0 40 GHAB CCOC[C@]1(CN)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242701916 WSBPFZSUIWBSBP-VAMGGRTRSA-N 393.936 3.570 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3c(C)cccc3C)CC2)cc1OC 243136226 JLCVBEKLQVEUQE-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB Cc1cc(C)c(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)c1 243166867 JSMPVVDTVXHALD-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB CCn1cc(CN2CCC[C@]3(CC=CCN(CCc4ccccc4)C3=O)C2)cn1 257230519 GCSFBPPYOFTEGH-XMMPIXPASA-N 392.547 3.516 0 40 GHAB C[C@]1(O)CN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC[C@@H]1Oc1ccccc1 257285471 PHEZXDKCHUQWHM-UNMCSNQZSA-N 396.418 3.525 0 40 GHAB CNc1cncc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)n1 257219367 DGNUTEVKBVLYBA-SFHVURJKSA-N 378.432 3.814 0 40 GHAB COc1cc(=O)n2c(c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F)CCC2 253394232 AXFIRLLPYXMHCH-UHFFFAOYSA-N 386.757 3.728 0 40 GHAB O=C(N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)N1CC[C@@]2(O)C[C@H]2C1 664720956 VJNQGHSMTRWSPR-QANKJYHBSA-N 397.288 3.596 0 40 GHAB O=C(O)C(O)(c1ccccc1Br)c1ccccc1Br 96171606 JSVLFWAZKKSZHS-UHFFFAOYSA-N 386.039 3.532 0 40 GHAB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 5660563 DKZWUMWNJBSAAM-MDWZMJQESA-N 385.763 3.580 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)OCc1ccc(F)cc1Br 11523785 JHDVIBKDWNFUTF-UHFFFAOYSA-N 381.197 3.993 0 40 GHAB Cc1ccccc1[C@H](NC(=O)COc1ncnc2ccccc12)c1ccncc1 12148501 YEDURIALKKQMAN-JOCHJYFZSA-N 384.439 3.618 0 40 GHAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)CCc2ccccc2)C1 12221017 YSNPOIRWENOKQU-LJQANCHMSA-N 378.520 3.839 0 40 GHAB COc1ccccc1C1(O)CCN(Cc2ccc3cccc(OC)c3n2)CC1 12293057 YRCDPFBATMIDHX-UHFFFAOYSA-N 378.472 3.736 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1cccc(OC(F)(F)F)c1)(C3)C2 12741979 BTPXNWSEGLVMMD-BAUKFBFWSA-N 396.409 3.999 0 40 GHAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)CCC3CCCC3)CC2)on1 13226281 XVUBMCVENVAFIF-UHFFFAOYSA-N 384.480 3.822 0 40 GHAB Cc1ccccc1CC(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCCC3)ncc21 13227655 JGJKBOOSCBKASY-LJQANCHMSA-N 378.520 3.758 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)COc1c(Cl)cccc1Cl)CC2 14790169 NDRPRYREBLAPCP-UHFFFAOYSA-N 396.270 3.974 0 40 GHAB Cc1cc2cc(C(=O)N3CCc4nc(C5CCN(C)CC5)ncc4C3)ccc2o1 19126416 CCGNCOSGKQUGHL-UHFFFAOYSA-N 390.487 3.539 0 40 GHAB Cc1cnccc1-c1cn(C)nc1[C@H]1CCCN1C(=O)Cc1ccc(F)cc1 19239674 GOEHFDLPPZZLLW-HXUWFJFHSA-N 378.451 3.836 0 40 GHAB O=C(CCc1nc(-c2ccccn2)no1)NCC1(c2ccccc2F)CCCC1 19347942 GNCWBTQKQTUBRS-UHFFFAOYSA-N 394.450 3.832 0 40 GHAB COc1cc(/C=C/C(N)=O)cc(Br)c1OCc1ccc(F)cc1 226335921 GXNTXWIIIGWCIV-QPJJXVBHSA-N 380.213 3.674 0 40 GHAB Cc1ccc(-c2nnc([C@H](C)OC(=O)CCn3c(=O)oc4ccccc43)o2)cc1 7226030 PDCXKNCJEAKRPV-AWEZNQCLSA-N 393.399 3.647 0 40 GHAB Cc1cccc(NC(=O)C(=O)NCCc2csc(-c3cccc(F)c3)n2)c1C 4375518 IPGKDMPBBJJOCG-UHFFFAOYSA-N 397.475 3.863 0 40 GHAB COc1ccc(OCC(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1 5077248 VSAAQGRURAXCCM-UHFFFAOYSA-N 381.457 3.645 0 40 GHAB COc1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 5136416 QCVRMBUIPIKNST-UHFFFAOYSA-N 382.460 3.648 0 40 GHAB COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2cccnc2)c(OC)c1 5256458 MNIBZRWOWGOJQQ-HXUWFJFHSA-N 378.432 3.537 0 40 GHAB O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccco1 5375154 NSTSNBRDWXNOLY-UHFFFAOYSA-N 382.441 3.673 0 40 GHAB CC1(C)Cc2cccc(OCc3ccc(C(=O)NC[C@H]4CCCO4)cc3)c2O1 7454065 BMFUXALAUKBAIA-LJQANCHMSA-N 381.472 3.888 0 40 GHAB COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccnn3C)nc12 12444251 UIHAIEFSNTZPMD-UHFFFAOYSA-N 393.472 3.589 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(Cn2cnc3ccccc32)CC1 36708715 FVMJRZUTPLZHDK-SOFGYWHQSA-N 389.455 3.717 0 40 GHAB O=c1cc(CN2CCN(c3ccccc3F)CC2)occ1OCc1ccccc1 56949850 QIQPVUIOBBOVND-UHFFFAOYSA-N 394.446 3.680 0 40 GHAB COc1cccc(-c2nnc(SCc3nccn3C)n2Cc2ccco2)c1 40150621 AQYUVSHSYZOYFE-UHFFFAOYSA-N 381.461 3.621 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)ccc1C(C)C 40143767 WLSNDCXCOJGZIJ-INIZCTEOSA-N 393.487 3.781 0 40 GHAB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(F)cc1 807631 LTRNNGVUWDSNFM-UHFFFAOYSA-N 393.418 3.633 0 40 GHAB COc1ccc(-c2ccc(SCC(=O)N(C(C)C)C(C)C)nn2)cc1OC 1332436 SWNWQCKCFDBKOB-UHFFFAOYSA-N 389.521 3.898 0 40 GHAB CN(C)c1nnnn1-c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 1401579 DXKFZDMRHTZIHP-UHFFFAOYSA-N 384.749 3.588 0 40 GHAB COc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)c(OC)c1 2128033 ZZBMVJIELYWMNY-BREAQWACSA-N 378.472 3.649 0 40 GHAB biogenic CCNC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 2618888 RGEQHVHPHXOKOY-UHFFFAOYSA-N 384.480 3.555 0 40 GHAB Cc1nn(C)cc1NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2779025 PELLBGFEKIXNNR-QMMMGPOBSA-N 375.782 3.674 0 40 GHAB CCOc1ccccc1N1C[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)CC1=O 3363578 RPYQMONEPFSIEL-PKOBYXMFSA-N 378.472 3.632 0 40 GHAB O=C(OCc1c(Cl)cccc1Cl)c1ccc(=O)n(Cc2ccccc2)n1 3528908 FCCDJDBFCFQZCG-UHFFFAOYSA-N 389.238 3.955 0 40 GHAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)c1OC 4079140 JNFSQSYKNWYMOM-UHFFFAOYSA-N 381.457 3.889 0 40 GHAB COc1ccc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1OC 5270595 HYIBLIAMPZORTG-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1C 5329321 ZAHOKUNBCPISJZ-UHFFFAOYSA-N 388.489 3.548 0 40 GHAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)C1CCC1 5507448 XNGSEDAQFZTVKU-UHFFFAOYSA-N 387.457 3.874 0 40 GHAB CCOC(=O)C1=C(CSc2nc3cc(Cl)ccc3s2)NC(=O)N[C@H]1C 5780554 JMTCWTVQUGUDTC-QMMMGPOBSA-N 397.909 3.560 0 40 GHAB COc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1 5994982 FNJWYBSBHVULCH-HNNXBMFYSA-N 379.412 3.798 0 40 GHAB O=C(COc1ccccc1)NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O 6252355 DMMNESUQGWPQLN-UHFFFAOYSA-N 399.255 3.584 0 40 GHAB COc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1Cl 6778005 YHKRQZDSSJEHCK-KRWDZBQOSA-N 378.831 3.881 0 40 GHAB CC(C)(C)c1nnc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1N 6786591 WMYXNPXBQLJEET-INIZCTEOSA-N 399.495 3.901 0 40 GHAB Cc1ccccc1-c1noc(-c2nnn(-c3ccc(Br)cc3)c2N)n1 6868255 MCRXUZKCXCZHDH-UHFFFAOYSA-N 397.236 3.637 0 40 GHAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(N4CCCC4)cc3F)C2=O)c1 6967250 PWLNLCXJYDLFEZ-UDWIEESQSA-N 379.435 3.827 0 40 GHAB Cc1cccc(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)c1 6967307 OLOYQXXRMCFOSW-UHFFFAOYSA-N 380.517 3.700 0 40 GHAB Cc1cccc(OCC(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)c1C 6968348 PQAPCKSWUANICM-UHFFFAOYSA-N 397.500 3.767 0 40 GHAB COc1ccc2c(CC(=O)NCc3ccccc3CN3CCCC3)coc2c1 8076383 YHXCWFDAMIFWPU-UHFFFAOYSA-N 378.472 3.896 0 40 GHAB Cc1cccn2c(=O)cc(CN3CCC[C@@H]3c3nc4ccccc4s3)nc12 8076503 KQXGNYHEFIJHIG-QGZVFWFLSA-N 376.485 3.950 0 40 GHAB COc1ccc(-n2cnnc2S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 8706878 HOFGFOFIHHPMOJ-GOSISDBHSA-N 398.463 3.527 0 40 GHAB COc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)N2CCCCC2)cc1 8867686 LAWYKEWDLDHJEG-OAQYLSRUSA-N 386.467 3.557 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 9205987 BLPHRCIMFVZWKG-HNNXBMFYSA-N 390.505 3.803 0 40 GHAB C[C@@H](NC(=O)CSc1nc(-c2ccncc2)n[nH]1)c1cc2ccccc2o1 9216812 HWTMSSLSGDPEEM-GFCCVEGCSA-N 379.445 3.582 0 40 GHAB O=C(/C=C/c1nc2ccccc2s1)N1CCC(C(=O)N2CCCCCC2)CC1 9495263 CJVALHCWJKISEA-MDZDMXLPSA-N 397.544 3.951 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1nc(-c2ccccn2)cs1 9657941 BJEVUYGYQHYFIF-UHFFFAOYSA-N 378.457 3.513 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccccc1C(=O)NC1CC1 10076077 LWKQINLLQICRMM-UHFFFAOYSA-N 375.428 3.805 0 40 GHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccn1 10193751 WGRXWEARWKGEBA-CQSZACIVSA-N 399.447 3.513 0 40 GHAB Cc1c(C(=O)Nc2ncc(Cc3ccccc3)s2)nnn1-c1ccccc1 10271992 SGHDBTCEMOTMMM-UHFFFAOYSA-N 375.457 3.875 0 40 GHAB COc1ccc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)cc1C 10543349 HRTOUONUONXUIA-UHFFFAOYSA-N 377.506 3.702 0 40 GHAB O=C(CCCn1nc(-c2ccco2)ccc1=O)Nc1nc2ccccc2s1 11695830 TWRRZHOFBDGRBP-UHFFFAOYSA-N 380.429 3.532 0 40 GHAB Cc1ccc(C(=O)Nc2cccc3cnccc23)cc1S(=O)(=O)N1CCCC1 12374381 KTYCVTWJFWCWEK-UHFFFAOYSA-N 395.484 3.580 0 40 GHAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1nc(-c2cccnc2)cs1 12558642 BEBKOAFHNDTRLU-OAHLLOKOSA-N 382.470 3.647 0 40 GHAB O=C(Cc1ccccc1)NCCC(=O)Nc1cccc(/C=C/c2ccccn2)c1 12591450 ONRVJLRNPDFOGM-OUKQBFOZSA-N 385.467 3.940 0 40 GHAB COc1cc(C(=O)NCCCOCC2CC2)cc(OC)c1OCc1ccccc1 12730133 UBTFSUJBNOQXOB-UHFFFAOYSA-N 399.487 3.829 0 40 GHAB COc1ccc(NC(=O)NCCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 12803345 IVQMTCHKKOBRAR-INIZCTEOSA-N 395.503 3.963 0 40 GHAB c1ccc(-n2ncc3c(N4CCC[C@H]4c4ccc5c(c4)OCCO5)ncnc32)cc1 12808027 NPIDPEVBRBFDOZ-IBGZPJMESA-N 399.454 3.928 0 40 GHAB O=C(/C=C/c1cccs1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 12809570 JFMBRPMYVKXMTR-MDZDMXLPSA-N 376.481 3.899 0 40 GHAB O=C(NCCSc1ccc(Cl)cc1)c1ccc2c(=O)n3c(nc2c1)CCC3 12910921 RQVCKZHXVXNTJB-UHFFFAOYSA-N 399.903 3.518 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)COc3cc(Cl)cc(Cl)c3)ccc21 12973224 VDDXHKHGORDFIN-UHFFFAOYSA-N 379.243 3.920 0 40 GHAB CC(C)CCNC(=O)[C@H](C)SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 14229502 IPCJCEQFJOEHDB-LBPRGKRZSA-N 393.578 3.647 0 40 GHAB Cc1ccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2C)cc1Cl 15731614 SUVWVKFOVCFQSF-UHFFFAOYSA-N 395.806 3.983 0 40 GHAB CCCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3cccc(C)c3)cc12 15780247 VVEAHCMQBXZYJM-UHFFFAOYSA-N 394.427 3.900 0 40 GHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2Cc1cccnc1 19017548 YHOFFVQEXBFAMC-ZRBLBEILSA-N 381.495 3.980 0 40 GHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NCc2ccc(F)cc2)cc(=O)[nH]1 19285167 ZSNOYKJJTYAAEC-FQEVSTJZSA-N 376.435 3.772 0 40 GHAB COc1ccc(C[C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccnc(C)n2)cc1 19287532 RCPXHLIOHZPTAJ-YTFSRNRJSA-N 381.520 3.532 0 40 GHAB CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)c3ccncc3C)CC2)n1 19525827 JPXVFUXBMGCNCW-UHFFFAOYSA-N 390.491 3.542 0 40 GHAB Cc1ccccc1OC1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1 19659250 DVFSZKOFQBXLRA-UHFFFAOYSA-N 382.508 3.789 0 40 GHAB CCC(=O)N1CCC(Cc2ccc(-c3cccc(C)c3)cc2)(C(=O)NC)CC1 19700514 GOGFXMMBXIQIJS-UHFFFAOYSA-N 378.516 3.969 0 40 GHAB CCn1ncc(-c2cc(C(=O)NCc3cccc(N4CCCCC4)c3)on2)c1C 19719060 SXBHOWJJDHGEQM-UHFFFAOYSA-N 393.491 3.787 0 40 GHAB CC(C)c1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 20450745 XMJKTIMBTYQSEA-OAHLLOKOSA-N 392.496 3.593 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 20486688 URKBGDQOHLCKIT-QZTJIDSGSA-N 388.533 3.644 0 40 GHAB CCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccccc2)n2c1nc1ccccc12 20638172 INEFNUSCRTZHJE-UXHICEINSA-N 391.471 3.952 0 40 GHAB CCN1CCN([C@@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1 22037548 ASLVIHBVQNKCIP-HNNXBMFYSA-N 381.476 3.559 0 40 GHAB CCCCn1nc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)ccc1=O 22701838 LPSIWZIKOLFYMO-JOCHJYFZSA-N 390.439 3.824 0 40 GHAB Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)c(C)c1 23211930 KKJWTUUHHHMXJB-FQEVSTJZSA-N 388.939 3.827 0 40 GHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)Cc2cnn(-c3ccccc3)c2)cc1 23345061 BKXPTFOWLMAPHD-MRXNPFEDSA-N 378.428 3.628 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1nc2c(F)cc(F)cc2s1 24756877 ZMCBIHJHNPURFZ-UHFFFAOYSA-N 389.383 3.901 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)Nc2cccnc2-n2cccn2)c1 25009664 JDPAIJFKYLUGDC-UHFFFAOYSA-N 389.415 3.703 0 40 GHAB CCCc1ccc(C(=O)CCC(=O)Nc2ccc3[nH]nc(C(=O)OC)c3c2)cc1 25013746 BAFCOFLRTLAAKR-UHFFFAOYSA-N 393.443 3.904 0 40 GHAB Cc1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c(C(C)(C)C)c1 26781104 XNYWUQYZSONDEQ-QFIPXVFZSA-N 396.575 3.850 0 40 GHAB CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(C(=O)O)cc3)cs2)CC1 26898603 KAMVHTHZKSWNSD-UHFFFAOYSA-N 389.477 3.565 0 40 GHAB COc1ccc(CN(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)cc1 27648933 ZRFKCHTVFPNRQQ-GOSISDBHSA-N 379.909 3.538 0 40 GHAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1ccncc1 28234858 GGKCDEYKRURUCO-MRVPVSSYSA-N 377.164 3.568 0 40 GHAB Cc1ccccc1-n1nnnc1SCc1noc(-c2ccc(Cl)cc2)n1 29256195 KROCWAATEBIUON-UHFFFAOYSA-N 384.852 3.966 0 40 GHAB Cc1ccc2nc3c(c(C(=O)Nc4ccc(-n5cncn5)nc4)c2c1)CCCC3 29809757 WDSAHXJGLYOZSB-UHFFFAOYSA-N 384.443 3.650 0 40 GHAB COc1cc(OC)c(/C=C2/C(=O)Nc3ccc(Br)cc32)c(OC)c1 30779865 MLEHXHQWAWFIIR-UKTHLTGXSA-N 390.233 3.968 0 40 GHAB NC(=O)Nc1cccc(C(=O)NCc2ccc(COc3ccccc3)cc2)c1 32303909 GLNFTWIJLVUPBZ-UHFFFAOYSA-N 375.428 3.686 0 40 GHAB COc1ccc(-c2noc(-c3ccc(OCC(=O)NC4CCCC4)cc3)n2)cc1 32578832 ZRIDQUBGSKRHMB-UHFFFAOYSA-N 393.443 3.850 0 40 GHAB Cn1cc(-c2nnc(SCc3ccccc3Cl)n2C[C@H]2CCCO2)cn1 32604298 IBAAHKYWUHHDLB-OAHLLOKOSA-N 389.912 3.803 0 40 GHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(N2C(=O)CCC2=O)c1 32739393 HRNLSBHTISVNOB-ZDUSSCGKSA-N 393.468 3.783 0 40 GHAB CC(C)[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccc2c(c1)OCCO2 32900441 BBCSZVRAFCIYTL-QHCPKHFHSA-N 391.471 3.700 0 40 GHAB CCN(C(=O)CS(=O)(=O)Cc1ccc(F)cc1Cl)c1ccccc1C 32929706 QMHDQLGPCWEHGC-UHFFFAOYSA-N 383.872 3.755 0 40 GHAB O=C(CSc1nnc(-c2ccccn2)o1)c1ccc(Br)cc1 33731329 JAKVBTLNWNMNNP-UHFFFAOYSA-N 376.235 3.869 0 40 GHAB C#CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OCC 33784037 AJQJYYVKZYTIGI-IBGZPJMESA-N 398.484 3.865 0 40 GHAB COc1c(Br)cc(CN[C@@H](C)[C@@H]2CCCO2)cc1Br 36325298 WABWGAIOYKYRMC-ZANVPECISA-N 393.119 3.877 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(Cc2ccccc2Cl)C1 38853684 JXDRVOSZGMXRFX-INIZCTEOSA-N 386.879 3.962 0 40 GHAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc(Br)ccc1F 40030654 MQKVPJLKFKMXON-UHFFFAOYSA-N 379.107 3.548 0 40 GHAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(C(N)=O)cc3)c12 40128330 AKLMRFCJAZKMRS-UHFFFAOYSA-N 391.475 3.723 0 40 GHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)c1 48356010 VLZDZXZBNUZPIY-GFCCVEGCSA-N 397.866 3.679 0 40 GHAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C1CCN(C(=O)C2CC2)CC1 58382520 LAVKOIWAISDMDX-MRXNPFEDSA-N 378.925 3.642 0 40 GHAB O=C(CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nccs1 58416825 VKLDYSVFZJHJJK-UHFFFAOYSA-N 397.300 3.549 0 40 GHAB C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 59366731 QAFGCJGIFIOZJB-SFHVURJKSA-N 394.496 3.759 0 40 GHAB CCOC(=O)c1sc2ncnc(NC[C@@H](c3cccs3)N(C)C)c2c1C 59889567 JZEWNXLPVCBZMQ-LBPRGKRZSA-N 390.534 3.953 0 40 GHAB CCc1nnc(CN2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)o1 69776637 WNKRMSYTTLUHCP-FQEVSTJZSA-N 396.535 3.929 0 40 GHAB CN(C)c1cc(C(F)(F)F)nc(N2CCC(Nc3ccc(F)cc3)CC2)n1 72027481 UDVNDEOUXFLMJQ-UHFFFAOYSA-N 383.393 3.781 0 40 GHAB O=C(Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)Nc1cnn(CC2CC2)c1 72309890 XABFTSLIAWVYBQ-UHFFFAOYSA-N 391.357 3.537 0 40 GHAB COc1cc(C(=O)N2CCN(C3CCCCC3)CC2)nc2c(C)cc(F)cc12 72328783 WFVUXVVPIWNJJO-UHFFFAOYSA-N 385.483 3.781 0 40 GHAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 72354157 BBPVSRKDHXMQHM-IBGZPJMESA-N 392.478 3.873 0 40 GHAB CC(=O)Nc1cccc(NCc2cc(-c3ccc(F)cc3)cn3nnnc23)c1 72392339 CSVJTLIEJMSANW-UHFFFAOYSA-N 376.395 3.501 0 40 GHAB O=C(OC1CN(c2nc3ccc(F)cc3s2)C1)c1cc(=O)c2ccccc2o1 77100998 DPXUAYAXXIKPMN-UHFFFAOYSA-N 396.399 3.587 0 40 GHAB COc1cccc(OCC(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)c1 77184160 FMCZTERROGWHAA-XMMPIXPASA-N 391.467 3.765 0 40 GHAB CS[C@@H]1CC[C@@H](N(C)C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C1 78934055 RXOGAPUHVVBRAB-WOJBJXKFSA-N 388.577 3.600 0 40 GHAB Cc1cc(NC(=O)[C@H]2CCCN2c2ncnc3sccc23)ccc1N(C)C 84090317 JCTUXMYYUOESHB-QGZVFWFLSA-N 381.505 3.673 0 40 GHAB COc1cc(F)cc(CNC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)c1 94058476 NBQHHBIZXHBVEG-GOSISDBHSA-N 386.423 3.652 0 40 GHAB NC(=O)[C@@H](CNCc1c(Cl)cccc1N1CCCC1)Cc1ccc(F)cc1 95464340 NAOCFWLDINHTCI-MRXNPFEDSA-N 389.902 3.513 0 40 GHAB COc1ccc(NC(=O)Nc2ccc(N3CCC(OC)CC3)cc2)c(OC)c1 96104524 JCHZBMIERFFETF-UHFFFAOYSA-N 385.464 3.963 0 40 GHAB COc1ccc2cc(NC(=O)Cn3ccc4c(NC(C)=O)cccc43)cnc2c1 96232617 JGFQSNYVFYAGJF-UHFFFAOYSA-N 388.427 3.795 0 40 GHAB C[C@@H](NC(=O)c1cc(I)ccc1Br)C1CC1 97236112 HBBFJPXSSMSXCY-SSDOTTSWSA-N 394.050 3.582 0 40 GHAB C[C@@]12CC[C@H](C[C@@H]1C(=O)NCc1cccs1)[C@@]1(C2)NC(=O)c2ccccc2O1 100179901 TUBSUMCPLNXBMM-QGUZNEQPSA-N 396.512 3.709 0 40 GHAB Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)CC2)cc1 102081767 YNAYHSXPRXUTNL-DKVMAZTOSA-N 380.488 3.523 0 40 GHAB CC[C@](C)(Nc1ccc2c(c1)OCCO2)c1nnnn1-c1c(C)cccc1C 102387344 SAUGVLKKXXSVIC-NRFANRHFSA-N 379.464 3.788 0 40 GHAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 104288425 IXDNVWSHEUVZEL-OAQYLSRUSA-N 389.455 3.870 0 40 GHAB COCc1ccc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)o1 107543740 NVQGKKMMXKJDQH-FZKQIMNGSA-N 380.847 3.641 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 219371397 JADXBMTWVMVVMS-SFHVURJKSA-N 395.459 3.836 0 40 GHAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCS[C@H](c2ccco2)CC1 219458753 OOIRIWQSWPZXIU-INIZCTEOSA-N 383.539 3.543 0 40 GHAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 219583221 TWHYYWADFYIFLP-QZTJIDSGSA-N 393.480 3.654 0 40 GHAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220699309 SVFRGRPHFQPFKW-DFGXFYAUSA-N 381.451 3.869 0 40 GHAB CCSc1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222441642 YMWTVWJGKMBPLX-UHFFFAOYSA-N 378.519 3.755 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 222583425 UBDRQVWGWFTOQQ-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(O)c(OC)c3)N21 222654070 IALOODGXRPQBSF-MORSLUCNSA-N 385.489 3.784 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCc1ccc2c(c1)OCO2 222656387 FMICGZWTYURINR-UHFFFAOYSA-N 385.445 3.508 0 40 GHAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)cc1C 223175714 RBIZOXGEGNTLSF-UHFFFAOYSA-N 381.432 3.725 0 40 GHAB CCN1CCN(C(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)CC1 224162873 LAEDJIMJCBSSOL-UHFFFAOYSA-N 388.895 3.705 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 224738686 ILKBTQZJHNJDFD-IBGZPJMESA-N 382.504 3.626 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@H](C)CC)cc1 225000438 FPIWSAJKUNCKML-MOPGFXCFSA-N 396.531 3.960 0 40 GHAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)c1ccccc1Br 225245285 FJOUZCFKXQELDB-MHWRWJLKSA-N 392.322 3.987 0 40 GHAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2cc(OC)ccc2c1 225828400 IMYOANPHJPBRSO-UHFFFAOYSA-N 385.441 3.826 0 40 GHAB COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 243465737 NJTAQDQPYKCDRB-CYBMUJFWSA-N 393.270 3.671 0 40 GHAB Cc1ncsc1CN1Cc2cccn2[C@@H](CCOCC2CCOCC2)C1 248028330 LDWNRXLYUFYOQR-IBGZPJMESA-N 375.538 3.643 0 40 GHAB O=C(c1ccccc1F)N1CC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306134481 NPBRGZMWFDDHCX-KRWDZBQOSA-N 387.418 3.560 0 40 GHAB O=C(NCc1ccc(-c2ccncc2)cc1)NCc1ccc(-n2cccn2)cc1 524723899 LIVYGBIZZCPGDX-UHFFFAOYSA-N 383.455 3.934 0 40 GHAB O=C(COc1ccccc1Cc1ccccc1)NCc1cnc2n1CCCC2 562845089 HTCBUNHPUHQKOP-UHFFFAOYSA-N 375.472 3.505 0 40 GHAB Cc1cc(C)cc(C(=O)N2CC[C@]3(CCC[C@@H]3C(=O)N[C@H]3CCC3(F)F)C2)c1 585107368 UBFDXFORVQFUCR-LVCYWYKZSA-N 390.474 3.850 0 40 GHAB Cc1cc(Cl)ccc1C(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111272 MDWXLEZJOIYFQC-HXUWFJFHSA-N 395.890 3.937 0 40 GHAB CCN(CC)c1ccc2nc(NC(=O)c3ccn(C4CCOCC4)n3)sc2c1 585123735 RNZRFTQXURNCHM-UHFFFAOYSA-N 399.520 3.943 0 40 GHAB CCOc1ccc(CC(=O)NC[C@H](c2ccsc2)n2nc(C)cc2C)cc1 585148109 XWMGGVIXBREIBI-HXUWFJFHSA-N 383.517 3.908 0 40 GHAB Cc1cnccc1OCC1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 1889151905 BYZUKEOAODJZBG-UHFFFAOYSA-N 394.515 3.756 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)CCn3ccnc3)c2)cc1 36393393 JYJCNVFQJKBWPY-JXMROGBWSA-N 390.443 3.572 0 40 GHAB O[C@@H](CNc1nc(-c2cccnc2)nc2sc3c(c12)CCC3)C(F)(F)F 30777844 SZTJATZDHMHBJD-LBPRGKRZSA-N 380.395 3.577 0 40 GHAB CC(C)c1nc2ccccc2c2nnc(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)n12 1327786 WCWZTDRXMVLPMA-GJZGRUSLSA-N 397.548 3.998 0 40 GHAB CCc1ccc2c(c1)c1nnc(SCC(=O)N(C)C3CCCCC3)nc1n2C 1366159 ADKHFHSLYIQHJQ-UHFFFAOYSA-N 397.548 3.962 0 40 GHAB Nc1ccc(C(=O)Nc2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)cc1 1669812 BBBPSVALBHSMJI-UHFFFAOYSA-N 383.429 3.511 0 40 GHAB CCOC(=O)[C@@H]1[C@@H]2NC(=S)N(c3ccc(C)cc3)[C@@]1(C)Oc1ccccc12 4193202 PSQLDKTWHXXTDB-UEXGIBASSA-N 382.485 3.719 0 40 GHAB COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 31903829 VOAGCLVGCALNGH-GXFFZTMASA-N 376.316 3.623 0 40 GHAB COc1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7928813 XASGSWXVJXGLGN-LLVKDONJSA-N 380.227 3.961 0 40 GHAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NC(=O)Cc1ccccc1 7983483 FUPVLYNIOTYFBE-UHFFFAOYSA-N 399.874 3.581 0 40 GHAB Cc1ccccc1NC(=O)[C@@H]1C(=O)N[C@]23CCCC[C@H]2[C@@H]1c1ccccc1O3 105367565 SJGLYUNTUZHSCL-GJPCKUABSA-N 376.456 3.742 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)Nc1ccccc1 8416226 ODONCJLUHUUUJC-UHFFFAOYSA-N 394.349 3.606 0 40 GHAB CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)OC)ccc2C)cc1 36739315 WQYHNIXLHRJXIL-UHFFFAOYSA-N 390.505 3.772 0 40 GHAB COC(=O)C[C@H](NC(=O)c1nc(-c2ccco2)sc1C)c1cccs1 32776567 WFJIIZDFQMWOLD-NSHDSACASA-N 376.459 3.807 0 40 GHAB CS(=O)(=O)/N=C(\O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 52741277 YSDJLJAGSONPMN-UHFFFAOYSA-N 389.864 3.516 0 40 GHAB CCOc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 57416431 ZPRVIZVKEUULFG-AWEZNQCLSA-N 390.842 3.547 0 40 GHAB Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)oc2ccc(F)cc12 22285019 OASXKAKXPCFTLA-INIZCTEOSA-N 388.464 3.745 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3nc(-c4c[nH]c5ccccc45)cs3)nc2n1 22402157 ZUMQBHCLLLQESX-UHFFFAOYSA-N 389.444 3.598 0 40 GHAB CC(=O)c1c(C)nn(C[C@@H](O)Cn2c3c(c4cc(C)ccc42)CCCC3=O)c1C 795446 XJUQIVFIWRNALO-KRWDZBQOSA-N 393.487 3.546 0 40 GHAB O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccccc1C(F)(F)F)C=C(c1ccccc1)N2 100943329 OTFRMNWTERXHAM-ZDUSSCGKSA-N 385.345 3.681 0 40 GHAB CCCCn1c(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)n[nH]c1=O 22615717 KYUJJBJJNDLRLF-HNNXBMFYSA-N 390.553 3.540 0 40 GHAB CCOC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1 822647 AJHGKTANWNMFAK-UHFFFAOYSA-N 399.472 3.607 0 40 GHAB O=C(CN1CCc2ccccc2C1)Nc1ccccc1C(=O)NCc1ccccc1 8323984 ZAEPJTNACQPGHX-UHFFFAOYSA-N 399.494 3.613 0 40 GHAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)OCCO2 803277 IYSHXVYDMXHETN-UHFFFAOYSA-N 393.770 3.931 0 40 GHAB CC(C)c1csc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)n1 54128489 ZISWKBWGKVWGGI-UHFFFAOYSA-N 388.518 3.625 0 40 GHAB Cc1noc(C(C)C)c1C(=O)Nc1cc2c(cc1Br)OCCO2 23193391 YNJGOODEZFWYQL-UHFFFAOYSA-N 381.226 3.892 0 40 GHAB Cc1ccc(-c2cc(=N[C@@H](CCC(=O)O)C(=O)O)c3cc(C)ccc3o2)cc1 938320 RWKZOHYJQPTYMF-KRWDZBQOSA-N 379.412 3.935 0 40 GHAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24840544 SGSYEYWQIMGAGS-NRFANRHFSA-N 393.487 3.965 0 40 GHAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCc3ccccc32)C1 55578658 FELDJVAPUQYRCB-ICSRJNTNSA-N 377.488 3.687 0 40 GHAB COc1ccc(-n2ncc3c2C[C@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 20633072 YPFRSYBZGQMVII-HNNXBMFYSA-N 378.428 3.811 0 40 GHAB CSc1ccc(CN(C)C(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc1 25454227 DNHGAGRSSLFYPJ-KRWDZBQOSA-N 376.547 3.883 0 40 GHAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1F 57291870 AKMJQWOSCCGLFX-UHFFFAOYSA-N 399.363 3.744 0 40 GHAB Cc1ccc(-n2c(SCC(=O)N3CCCC3)nc3ccsc3c2=O)cc1C 57428442 OPJLSZSTHKAGKJ-UHFFFAOYSA-N 399.541 3.779 0 40 GHAB O=C(Cc1coc(-c2ccccc2)n1)Nc1cc(Cl)ccc1-n1cncn1 57656334 KNHLBFYRXUNSIG-UHFFFAOYSA-N 379.807 3.757 0 40 GHAB CSCC[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O 2064721 NSIMDSSSNDNUME-MRXNPFEDSA-N 388.876 3.696 0 40 GHAB CC(C)(C)OC(=O)NC(C)(C)c1noc(CSc2nccn2C2CC2)n1 58174248 SQLLAOWHZMQMNP-UHFFFAOYSA-N 379.486 3.653 0 40 GHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)n2)cc1 27596302 SVBCLAQVTFNSFM-MRXNPFEDSA-N 379.489 3.764 0 40 GHAB CC(C)(C)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1 3322682 QADINTWFVUAUQB-UHFFFAOYSA-N 385.508 3.958 0 40 GHAB COc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c(F)c1 12744522 HKYFBNQCDZFAGJ-UHFFFAOYSA-N 387.436 3.533 0 40 GHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CC(C)(C)CC(=O)O)cc1 12787909 XSMDBLCEBPWVQC-UHFFFAOYSA-N 382.460 3.755 0 40 GHAB O=C(NCC1(c2ccc(F)cc2)CC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 48289910 NUVXCLJZYZBETB-UHFFFAOYSA-N 398.453 3.665 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)Nc3nnc(-c4ccco4)s3)o2)cc1 48253802 BIYMDVUOLZHHJH-UHFFFAOYSA-N 381.417 3.728 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2ccc3c(c2)CCC3)c1 7777990 DLZZHAZWRJFGCX-UHFFFAOYSA-N 395.933 3.963 0 40 GHAB CCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(C)c(C(=O)O)s1 48382867 CNJAYVIFWPDSNM-UHFFFAOYSA-N 375.855 3.608 0 40 GHAB COc1ccc(CC(=O)N(C)Cc2cc(Br)cs2)cc1OC 48325852 FHUNZKCEXWFLKD-UHFFFAOYSA-N 384.295 3.729 0 40 GHAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(F)cc2Br)c1 12871001 BKARKMSNVDJIIH-UHFFFAOYSA-N 377.213 3.733 0 40 GHAB CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12975484 KDLWPPBHLQMGOG-BUHFOSPRSA-N 376.500 3.987 0 40 GHAB O=C(NC1CCC(O)CC1)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12905208 YMAJUKCPEJLRPX-UHFFFAOYSA-N 396.531 3.875 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(c2cccc(C)c2)CC1 16297562 QRHXRTCIFJCPJL-QHCPKHFHSA-N 389.499 3.608 0 40 GHAB Cc1nn([C@H](C)CCNC(=O)c2nc(-c3ccc(F)cc3)no2)c(C)c1Cl 13961564 JMJZVTIPNIMSLI-SNVBAGLBSA-N 391.834 3.724 0 40 GHAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCc3ccncc3)ccc12 5325133 SJGAQRIQQKYMOQ-HNNXBMFYSA-N 380.444 3.533 0 40 GHAB CN(CC(=O)N1CCCC1)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 14140808 QJYYOHHIDSJWAA-UHFFFAOYSA-N 391.446 3.735 0 40 GHAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc2c(c1)CCC2 8133187 LLZWBWKFCGZVEI-UHFFFAOYSA-N 380.425 3.929 0 40 GHAB COc1ccc(-c2noc(CN(C(=O)c3ccc4c(c3)OCO4)C(C)C)n2)cc1 4512699 TZJRSNGMBBXGAJ-UHFFFAOYSA-N 395.415 3.525 0 40 GHAB CC(C)Cn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2c1=O 5557223 IDCXUOMVJIBSIR-UHFFFAOYSA-N 379.504 3.751 0 40 GHAB COc1cccc(N2CCN(C(=S)Nc3cc(Cl)ccc3OC)CC2)c1 6625157 VDIACVAJSCBSQN-UHFFFAOYSA-N 391.924 3.876 0 40 GHAB Cc1cnc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)s1 14662435 DOYYNXIZYRKRDF-OKILXGFUSA-N 387.505 3.872 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(F)cc3)n2C)cc1 4736200 TZJSDOJNBIEDJU-LBPRGKRZSA-N 386.452 3.749 0 40 GHAB COc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)O)cc1OC 4801668 QQYYMQQANNDTRE-MDWZMJQESA-N 380.343 3.939 0 40 GHAB COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2O)ccc1O 4827993 PLOWGXRYQAUKLE-ACCUITESSA-N 386.407 3.976 0 40 GHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(C(F)(F)F)c1 15402397 ZIZLEIZQYZUFPC-UHFFFAOYSA-N 384.423 3.518 0 40 GHAB COc1cccc(-c2nnn([C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)n2)c1 9533180 BHBOYZYOZRSFLG-OAQYLSRUSA-N 399.454 3.885 0 40 GHAB COc1ccccc1OCc1nc2c3c(C)c(C)n(CC(C)C)c3ncn2n1 9305287 UMHPXLFCOQDQSN-UHFFFAOYSA-N 379.464 3.939 0 40 GHAB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)ccc1O 9331472 FRZQGRQUSWQVGB-HXUWFJFHSA-N 395.459 3.674 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 89821451 CBNNABCBXNRFTF-FDPSAONLSA-N 380.473 3.609 0 40 GHAB Cc1csc([C@@](O)(CC(=O)Nc2ccc3oc(C)nc3c2)C(F)(F)F)n1 72035493 OQQVYEAWMOZWQI-HNNXBMFYSA-N 385.367 3.680 0 40 GHAB O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC[C@]2(CCCOC2)C1 97212755 DAHTWJDVKZCLNT-SFHVURJKSA-N 395.381 3.788 0 40 GHAB Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)Nc1cccc2[nH]ccc12 72404921 QOMSLQXCHXSTPU-UHFFFAOYSA-N 387.439 3.856 0 40 GHAB O=C(NCCOc1ccc(C(F)(F)F)cc1)[C@@H]1CSc2ccccc2O1 84583019 RKGAVAJCHCLCIE-HNNXBMFYSA-N 383.391 3.754 0 40 GHAB COCc1nnc(NC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)s1 95475583 JDJDHGFNTLOZTL-AWEZNQCLSA-N 390.896 3.952 0 40 GHAB CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCC 409237796 JNGQGTJVPIWXRS-LDADJPATSA-N 380.444 3.885 0 40 GHAB CC1=C[C@@H](CNC(=O)c2cncnc2)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 30880190 LVTUQWKHRKJQJJ-WFXMLNOXSA-N 398.551 3.510 0 40 GHAB biogenic,in-vitro Cc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)c(Cl)c1 71769023 NYQRAJPSYQPUJE-UHFFFAOYSA-N 387.842 3.794 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 34867707 UIVKKRBODDBCCI-HRQSHJORSA-N 384.524 3.922 0 40 GHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1ccc2c(c1)OCO2)N1CCCCC1 39377198 PUJSOUOYRDPRTO-FCHUYYIVSA-N 391.471 3.981 0 40 GHAB CCn1ccc(C(=O)N2CCC(c3nccnc3Oc3cccc(F)c3)CC2)n1 72362971 XEGKRWMFTJUECF-UHFFFAOYSA-N 395.438 3.644 0 40 GHAB CCOC(=O)c1s/c(=N\C(=O)CCn2ccc3c(Cl)cccc32)[nH]c1C 71282618 UOKLIIHJYPJLPI-UHFFFAOYSA-N 391.880 3.687 0 40 GHAB COc1ccc(CNC(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 70655602 YZTHWMUVQFDCIC-UHFFFAOYSA-N 378.432 3.946 0 40 GHAB COc1cccc2sc(N(C)CC(=O)NC34CC5CC(CC(C5)C3)C4)nc12 70640891 HBEIWVCPPQRGPL-UHFFFAOYSA-N 385.533 3.826 0 40 GHAB C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccnc(C2CC2)n1 561070266 XMMHMEHQFHOEPU-SJKOYZFVSA-N 391.393 3.975 0 40 GHAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)Cc2cccnc2)n1 72357912 CKECOMSGMJENPU-QFIPXVFZSA-N 387.483 3.982 0 40 GHAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)OC 41077063 SXWCYJFWMMTXBS-UHFFFAOYSA-N 393.443 3.759 0 40 GHAB Cc1nccn1Cc1ccc(C(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1 225298152 CHJMXZCOZZNPIC-SFHVURJKSA-N 388.515 3.811 0 40 GHAB CC(C)CSc1nnc(NC(=O)C2(c3ccccc3)CCOCC2)s1 222659187 BKCKEDVOEMTQAZ-UHFFFAOYSA-N 377.535 3.973 0 40 GHAB CC(C)[C@H](C)NC(=O)CCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225227963 HJNZLLIFKRWEPQ-LBPRGKRZSA-N 395.352 3.700 0 40 GHAB Cc1cc(C(=O)NCc2ccccc2F)ccc1NS(=O)(=O)c1ccccc1 224087626 YWJJQNLOSHAWBB-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB COC(=O)c1cc(I)c(OCc2ccccc2)c(OC)c1 226365038 FSXJMSVIKASULD-UHFFFAOYSA-N 398.196 3.665 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(=O)(=O)c1ccc(F)c(C)c1 225608678 JIELVOPXIPOGMA-KRWDZBQOSA-N 379.453 3.723 0 40 GHAB CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 521062168 JQTABFTUORMQBW-KRWDZBQOSA-N 396.495 3.500 0 40 GHAB Cc1ccc(NC(=O)c2cccs2)cc1OCc1cc(=O)n2ccccc2n1 41077266 GIXMNLSJFGEXCN-UHFFFAOYSA-N 391.452 3.896 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(Cl)c2)c1 225929851 HFJDUXLWZSJTKI-UHFFFAOYSA-N 380.897 3.524 0 40 GHAB O=C(NC[C@](O)(c1ccco1)c1cccs1)c1ccc(OC(F)(F)F)cc1 225587689 ZZKQVQLFNBEXSM-KRWDZBQOSA-N 397.374 3.906 0 40 GHAB COCCn1ccc2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)cc21 85876725 VRJUVXHGWUZKNS-UHFFFAOYSA-N 394.471 3.503 0 40 GHAB biogenic CCN(CC)C(=O)C1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 91695176 CYRKLPJRBMVGLJ-UHFFFAOYSA-N 377.838 3.834 0 40 GHAB O=C1C[C@H](c2ccc(C(=O)O)cc2)c2c(ccc3nn(-c4ccccc4)nc23)N1 96117452 QAUXDYLAKNSRJP-MRXNPFEDSA-N 384.395 3.593 0 40 GHAB O=C(Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1)c1cccs1 250103974 YQXOFKIBSLKMHW-GYYKNPCSSA-N 391.448 3.525 0 40 GHAB Cc1c(CN2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)cnn1C 257269535 MQJRNWMYJLWASL-QFIPXVFZSA-N 396.922 3.941 0 40 GHAB COC[C@H](C)NC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCOCC1 257301689 RZKVNQCHXKDGOH-SFHVURJKSA-N 397.515 3.853 0 40 GHAB Cc1ncncc1C(=O)N1CCC[C@@](C)(c2ncc(Cc3cccc(F)c3)o2)C1 257246283 ITLBMLIZWMJMRT-JOCHJYFZSA-N 394.450 3.697 0 40 GHAB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1 260918024 KSMDJCZYDCPKAO-BHIYHBOVSA-N 384.549 3.790 0 40 GHAB CC(C)COC(=O)NC1CC2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)C1 585103596 PTRRTZIDUGRLOT-UHFFFAOYSA-N 396.535 3.999 0 40 GHAB O=S(=O)(NCCc1csc(-c2cccc(F)c2)n1)c1ccc(F)cc1 5137708 JOEVSPFEYNVMEZ-UHFFFAOYSA-N 380.441 3.609 0 40 GHAB COc1ccc(-c2cccc(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)nn1 5204169 CNASRHCBWZPLOB-UHFFFAOYSA-N 383.473 3.878 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O 13713074 UQRFYNQUZJMZMZ-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB CSc1cccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 14399919 LWVUZNDPIQYXLQ-UHFFFAOYSA-N 396.509 3.733 0 40 GHAB CCn1c(C(C)C)nc2cc(NC(=O)CCCn3c(C)cc(C)nc3=O)ccc21 19524248 MLKYTQYLKFRJMQ-UHFFFAOYSA-N 395.507 3.772 0 40 GHAB O=C(CCC1CCCC1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 12181910 GTUGDCRLQSFCFA-OWCLPIDISA-N 399.461 3.775 0 40 GHAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 2939301 GSQHKKMZYTUPRP-UHFFFAOYSA-N 398.816 3.515 0 40 GHAB NC(=O)[C@H](NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 14197547 RZDVJGWHRGTJKP-MNDMWVCDSA-N 382.769 3.715 0 40 GHAB Cc1nc(-c2ccc(OS(=O)(=O)c3ccccc3C(F)(F)F)cc2)no1 25874997 SOAHBDBOGCOEDX-UHFFFAOYSA-N 384.335 3.832 0 40 GHAB COc1ccc2oc(=O)c(C(=O)NCCOC34CC5CC(CC(C5)C3)C4)cc2c1 4580663 LKNRQXSZXRIHGW-UHFFFAOYSA-N 397.471 3.517 0 40 GHAB Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)c1 5099592 DZIMJGZFNYPYQL-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc2n1CCCS2 16977070 HAKSWWYRTBVJPZ-UHFFFAOYSA-N 375.841 3.643 0 40 GHAB CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)C(C(=O)OC)=C(C)N2 100951113 PODNUCSYDKCFQK-MRXNPFEDSA-N 399.516 3.975 0 40 GHAB Cc1ccc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 40049312 WDDBFIZMZYSTSU-QGZVFWFLSA-N 378.407 3.693 0 40 GHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)Nc1nnc(C2CC2)s1 40128844 OJNUAVBNULQMGL-UHFFFAOYSA-N 389.431 3.677 0 40 GHAB CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2nc3c(ccc4ccccc43)s2)C1 40128976 PSWNLUDQPUGXMT-CQSZACIVSA-N 382.489 3.782 0 40 GHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)N(C)C)C3)n2)c(C)c1 40130266 MXJCVJDCWOVFOM-OAHLLOKOSA-N 386.521 3.759 0 40 GHAB Cc1cc(C)nc(N2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)n1 801889 KZCIEFIEJTUPMA-UHFFFAOYSA-N 392.425 3.645 0 40 GHAB CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCCC2 840977 JVTGUDXAXFZGSF-UHFFFAOYSA-N 387.457 3.827 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)no1 865015 YLGOVXHOEHVBGE-UHFFFAOYSA-N 391.836 3.690 0 40 GHAB CCOc1ccc(NC(=O)[C@H](C)O)c(NC(=O)Nc2cccc(Cl)c2)c1 1426254 RXGPFDWXBANBJO-NSHDSACASA-N 377.828 3.702 0 40 GHAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC(F)(F)F)cc2)N1 2151517 BSLISAZEHOCJOB-CVEARBPZSA-N 376.334 3.755 0 40 GHAB biogenic CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)C2=O 3313635 ZUOFKJVZKGXBQH-UHFFFAOYSA-N 397.397 3.535 0 40 GHAB COc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)c(OC)c1 3315652 OGGPQOIHCMSNLR-UHFFFAOYSA-N 385.460 3.688 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1 3501424 LEOHSYPDDVQLHF-CYBMUJFWSA-N 396.472 3.813 0 40 GHAB O=C(c1ccc2ncsc2c1)N1CCN(c2nc3ccccc3s2)CC1 4088577 XPSLWRBYQMNCIE-UHFFFAOYSA-N 380.498 3.868 0 40 GHAB O=C(CCc1ccccc1)N(c1ccc(Cl)cc1)[C@@H]1C=CS(=O)(=O)C1 4165217 KCBXYOSUXBNBEV-GOSISDBHSA-N 375.877 3.617 0 40 GHAB CSc1cccc(NC(=O)CSc2nc3scc(C)c3c(=O)[nH]2)c1 4736607 WDNGUDQNCSQWRG-UHFFFAOYSA-N 377.516 3.746 0 40 GHAB Cn1c(C(=O)O[C@@H](C(=O)NC2CCCCC2)c2ccccn2)cc2sccc21 4924069 GIEJIAIRYKSRHU-LJQANCHMSA-N 397.500 3.982 0 40 GHAB CC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1ccccc1-c1ccccc1 4964805 NMFFFTMGROGLNC-UHFFFAOYSA-N 394.500 3.767 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N 5076982 VIQPXQLDXBEZKB-UHFFFAOYSA-N 387.896 3.606 0 40 GHAB CCC(=O)Nc1ccc(C(=O)COC(=O)CCC(=O)c2ccc(C)s2)cc1 5151055 NCDOCKJAOWNRCB-UHFFFAOYSA-N 387.457 3.794 0 40 GHAB CS(=O)(=O)N1CCCc2cc(NC(=O)c3cc(Cl)ccc3Cl)ccc21 5375423 CYMPUSAYILBOLG-UHFFFAOYSA-N 399.299 3.958 0 40 GHAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3C)cc2)CC1 6026479 BSNSUSSKEDAEHN-UHFFFAOYSA-N 396.560 3.572 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 6249045 NRVCJOPWRWBHAQ-HXUWFJFHSA-N 391.515 3.707 0 40 GHAB COc1ccc(-c2noc(CSc3ccc4c(c3)OCCO4)n2)cc1OC 6589365 QLINCXQAEXXOSQ-UHFFFAOYSA-N 386.429 3.817 0 40 GHAB CSc1ccccc1NC(=O)CN(C)C(=O)c1cnc(Cl)c(Cl)c1 6785692 BBZWWPBXIRRVCG-UHFFFAOYSA-N 384.288 3.821 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nnc(N2CCCC2)n1-c1ccccc1Cl 6994296 ZRJHRLROAVCWEX-CYBMUJFWSA-N 393.944 3.528 0 40 GHAB C[C@@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1 7036167 ORAHLJLCZLUQEU-CYBMUJFWSA-N 391.456 3.640 0 40 GHAB CC(C)[C@H](NC(=O)CN1CCc2ccccc21)c1ccc2c(c1)OCCCO2 7348658 XWYSDDZXNWZAHA-QHCPKHFHSA-N 380.488 3.724 0 40 GHAB COc1ccc(NC2=N[C@@H](c3ccccc3Cl)n3c(nc(C)cc3=O)N2)cc1 7495780 GRXGZOHRTHANPU-GOSISDBHSA-N 395.850 3.654 0 40 GHAB Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 8163294 NYGWGMYENZRGSR-ZWKOTPCHSA-N 396.487 3.618 0 40 GHAB Cc1ccc(-c2csc3ncnc(NCC(=O)NCc4ccco4)c23)cc1 8315590 BBRYKAMLCJQTHZ-UHFFFAOYSA-N 378.457 3.988 0 40 GHAB O=C(CNC(=O)c1ccco1)Nc1cccc(-c2nc3ccccc3s2)c1 8749725 LQTBPFRWRUMICB-UHFFFAOYSA-N 377.425 3.925 0 40 GHAB CC(C)[C@H](C)N(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1 8851701 FFOSFGGTIKWUDH-HNNXBMFYSA-N 389.446 3.889 0 40 GHAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 8901295 BBRYCEBOXQOFBO-IBGZPJMESA-N 394.562 3.652 0 40 GHAB COc1ccc(OCCCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 9338125 VWCGFKLDDMKDQS-QGZVFWFLSA-N 379.460 3.917 0 40 GHAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10545122 YNUPXGIUAZDTDN-KRWDZBQOSA-N 388.471 3.710 0 40 GHAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)CC4CCCC4)c3)cn2n1 11693439 JQNTXUWZLUHEHV-UHFFFAOYSA-N 380.448 3.932 0 40 GHAB O=C(CSc1ccc(NC(=O)c2cccs2)nn1)Nc1ccc(F)cc1 11739431 ZDRUZKMKLLNVBG-UHFFFAOYSA-N 388.449 3.660 0 40 GHAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 11853300 CKQHDFXNLNSYBB-UHFFFAOYSA-N 391.437 3.648 0 40 GHAB COc1ccccc1OCCN(C)Cc1c([C@H]2CCCO2)[nH]c2ncccc12 12085217 HJPNMDUPCKOYNJ-HXUWFJFHSA-N 381.476 3.934 0 40 GHAB Cc1cc2occ(CC(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)c2cc1C 12263223 WBFNPCCAMZZUPL-UHFFFAOYSA-N 398.484 3.771 0 40 GHAB CN(Cc1cccc(Cl)c1)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12326031 DOOZXJFWZXQHOU-SFHVURJKSA-N 399.922 3.649 0 40 GHAB COCCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 12532147 VTXFJKQSSNSPQB-UHFFFAOYSA-N 386.473 3.675 0 40 GHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 12779080 GMVPGRIBVPPJOF-UHFFFAOYSA-N 388.475 3.779 0 40 GHAB O=C(NC1=NCCS1)c1ccccc1C(=O)c1ccc(Br)cc1 12785225 AXKOOOXOPQMKQA-UHFFFAOYSA-N 389.274 3.513 0 40 GHAB COC(=O)Cc1ccc(OCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1 12785905 MTWUEWZKTNIWEQ-INIZCTEOSA-N 377.440 3.812 0 40 GHAB O=c1[nH]c2ccccc2n1CCCSc1nnc(/C=C/c2ccc(F)cc2)[nH]1 12890270 IBQWSWDOXLYVGN-DHZHZOJOSA-N 395.463 3.940 0 40 GHAB C[C@]1(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)s2)CCS(=O)(=O)C1 12903396 DCAHCJLAHVCIGA-KOEDOTQGSA-N 395.933 3.775 0 40 GHAB O=C1CC2(CCCC2)C(=O)N1CN1CCc2sccc2[C@H]1c1ccccc1 12936082 DZKOIJHXXJHVJB-HXUWFJFHSA-N 380.513 3.972 0 40 GHAB Cc1cccc(CNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 13668868 QTZRUNBKKPFETA-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1ccc2c(c1)CCC2 16094714 SSCZSRHGJYXSBG-UHFFFAOYSA-N 395.274 3.908 0 40 GHAB Cc1cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c(C)n1Cc1ccco1 16694523 JUHGCHVBIHKZCN-NRFANRHFSA-N 392.455 3.923 0 40 GHAB Cc1onc(C(=O)Nc2cnn(C)c2)c1COc1cccc(C(F)(F)F)c1 17077683 CCSYOWRGJXHWOT-UHFFFAOYSA-N 380.326 3.567 0 40 GHAB O=C(CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(Cl)c1Cl 18149063 MKXFLJKGHJQOEP-RYUDHWBXSA-N 381.259 3.663 0 40 GHAB COc1ccccc1[C@]1(O)CCC[C@@H]2CN(Cc3cnc(C(C)C)nc3)C[C@@H]21 19453958 ZMAOSUYZYDLIEB-QMHWCDLVSA-N 381.520 3.728 0 40 GHAB CNC1CCC2(CC1)CN(Cc1cnc(C(C)C)nc1)Cc1ccccc1O2 19454130 JSFLDBYCBUMNBP-UHFFFAOYSA-N 380.536 3.895 0 40 GHAB CCC(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)CC1 19700184 XYVXSNXLWWBIGB-UHFFFAOYSA-N 393.531 3.835 0 40 GHAB O=C(COc1ccccc1)N1CC[C@@H](c2cc(COc3ccc(F)cc3)[nH]n2)C1 19704569 FCJFKTCLGNROJO-MRXNPFEDSA-N 395.434 3.523 0 40 GHAB COc1cc2c(cc1-c1cncn1C[C@H](C)n1nc(C)cc1C)OCCCO2 19719991 RRQMMIWWVWWIFV-INIZCTEOSA-N 382.464 3.795 0 40 GHAB O=c1[nH]c(=S)n(-c2ccc(F)cc2)c2c1CN(CCCc1ccccc1)CN2 19932923 LVKOWVMIBKEQRE-UHFFFAOYSA-N 396.491 3.852 0 40 GHAB CCOC(=O)N1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 20149674 TZXXVFRAJIEXOD-UHFFFAOYSA-N 384.476 3.548 0 40 GHAB CCCCCCn1c(=N)n(C[C@H](O)COc2ccccc2OC)c2ccccc21 20289501 OZAZFSGPXKTKCK-SFHVURJKSA-N 397.519 3.951 0 40 GHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3cccc(Cl)c3)cc2C[C@@H]1C 20449031 YPUZBCPOTFSFCN-LBPRGKRZSA-N 378.881 3.693 0 40 GHAB COc1ccc(CCNc2ncnc3c2cnn3-c2ccc(F)cc2)cc1OC 20661906 BQUGMAVLXAMINX-UHFFFAOYSA-N 393.422 3.626 0 40 GHAB CSCC[C@H](NC(=O)Cc1c(C)[nH]c2ccccc12)c1nnc2ccccn12 20737948 ZLDVOFOSMGIFRX-SFHVURJKSA-N 393.516 3.672 0 40 GHAB Cc1nc(-c2ccsc2)sc1C(=O)O[C@@H](C)C(=O)NCc1ccco1 22001670 MZKQZKVPJICYIE-NSHDSACASA-N 376.459 3.635 0 40 GHAB Cc1ccc([C@H]2CC(=O)c3cnc4nc(N5CCCCC5)[nH]c(=O)c4c3C2)cc1 22606979 CMHAWPBLTHJEGE-MRXNPFEDSA-N 388.471 3.530 0 40 GHAB CCn1c(=O)n(CCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c2ccccc21 23765675 YPDTZCSUQRCIFE-AWEZNQCLSA-N 387.430 3.711 0 40 GHAB Cc1cc2occ(CC(=O)OCCCn3c(=O)[nH]c4ccccc43)c2cc1C 23844351 PBZNOQKPDBCCIZ-UHFFFAOYSA-N 378.428 3.869 0 40 GHAB Cc1ccc(F)cc1NC(=O)CSc1nc(C)c(C)n1C[C@@H]1CCCO1 24514526 FRHSNFISCVEMQL-INIZCTEOSA-N 377.485 3.857 0 40 GHAB Cc1cccc(OCCC(=O)N[C@H](c2cccc(F)c2)c2nccn2C)c1C 24856790 AVHYVNLZNJOFCV-OAQYLSRUSA-N 381.451 3.851 0 40 GHAB O=C(CCc1nc(-c2ccccn2)no1)N(Cc1ccco1)Cc1cccs1 25303665 RGJMUPJNALNCND-UHFFFAOYSA-N 394.456 3.948 0 40 GHAB O=C(Nc1ccc(N2CCCC2)cn1)c1cccc(I)c1 25661648 MXETUAQLHXPXGI-UHFFFAOYSA-N 393.228 3.539 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1Cn1ccnc1 25665872 LMHZUITWMSNHAL-UHFFFAOYSA-N 385.471 3.664 0 40 GHAB Cc1nc(C2(NC(=O)c3cc(C(C)C)nc4c3c(C)nn4C)CCCCC2)no1 26124424 ZPPYEJMSIQKICK-UHFFFAOYSA-N 396.495 3.681 0 40 GHAB COC(=O)c1sccc1NC(=O)CCCc1nc(-c2cccs2)no1 31705173 VQORVRLXILJOFT-UHFFFAOYSA-N 377.447 3.608 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1ccc(OCC(C)C)cc1)CC(O)=N2 31820778 ORRAWNTZAZVVSH-INIZCTEOSA-N 393.447 3.835 0 40 GHAB CC1(C)Cc2cccc(OCCNC(=O)c3ccccc3Br)c2O1 32050583 ZYXVCPPIJWLKEU-UHFFFAOYSA-N 390.277 3.971 0 40 GHAB CC(=O)N[C@H](CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C)c1ccc(C)cc1 32879255 BRDBLLIFOIOFSI-IFMALSPDSA-N 392.503 3.952 0 40 GHAB COCCNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36359319 FWHCDYMSLVWERZ-HXUWFJFHSA-N 378.472 3.506 0 40 GHAB CCCn1ncc2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc(C)nc21 36616470 QHBOXFSGVDRKPR-UHFFFAOYSA-N 397.910 3.766 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3c(C)cccc3C)CC2)c1 42214366 CVXCMQCRSVTLDY-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB CSc1nc(C(=O)OCC(=O)Nc2ccc(C)cc2Cl)c2ccccn12 48310419 NUFUUICEQRUPID-UHFFFAOYSA-N 389.864 3.814 0 40 GHAB O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)NCc1ccc(F)cc1Cl 49409433 FMLZGNWRAHQSQF-UHFFFAOYSA-N 396.809 3.936 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccccc2Cl)c(-c2cccc(F)c2)n1 57508097 ZNVUTJCMNRCBFS-UHFFFAOYSA-N 385.826 3.904 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3n2)cc1 58378694 OPFLNTLFUBOTLJ-CQSZACIVSA-N 383.473 3.564 0 40 GHAB CN(CC(=O)NC1CCCCCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 58380603 UVRJFDMTCXVROZ-PKOBYXMFSA-N 385.335 3.722 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(C(=O)O)cc2Cl)cc1 59843175 KZDAMUMTKOKWOM-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB CC(C)(C)c1ncc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cn1 64328314 SAIMEYAULVHCNV-UHFFFAOYSA-N 381.476 3.996 0 40 GHAB COC(=O)c1ccccc1-n1ncc(NCc2ccc(C)cc2C)c(Cl)c1=O 71811731 PLFGTSPWMNYPMW-UHFFFAOYSA-N 397.862 3.901 0 40 GHAB CN(Cc1ccc(F)c(F)c1)[C@H]1CC(=O)N(c2ccc3ccccc3c2)C1=O 72273598 WUYXLXGLNXUUEL-FQEVSTJZSA-N 380.394 3.882 0 40 GHAB Cc1ccc(S(=O)(=O)NCCN(C)[C@@H](C)c2ccc(OC(F)F)cc2)cc1 72305242 NJTKGNGCBLJNOR-HNNXBMFYSA-N 398.475 3.568 0 40 GHAB CCCN1CCN(C(=O)C2CCC2)[C@@H](Cc2ccccc2-c2ccncc2)C1=O 72351518 IPRQHUOCYOVFNQ-QFIPXVFZSA-N 391.515 3.541 0 40 GHAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3CC(=O)Nc3ccccc3F)ccc12 72374509 XQHNZFHEDSHNDO-SFHVURJKSA-N 396.470 3.693 0 40 GHAB C[C@H](CO)N(CC(=O)N(C)Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 78950353 JIHWWJORHHWIQS-MRXNPFEDSA-N 394.437 3.547 0 40 GHAB O=C(Nc1cccc(OCc2cccc(F)c2)c1)N[C@H]1CCc2[nH]ncc2C1 84372518 SLQKHAYHEQWJGA-SFHVURJKSA-N 380.423 3.807 0 40 GHAB O=S(=O)(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccccc1F 90613667 VLNQIPJEXVZRGJ-INIZCTEOSA-N 383.491 3.509 0 40 GHAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccnc(Cl)c1F 95449041 NIKHRHOEWXUJHS-INIZCTEOSA-N 384.842 3.926 0 40 GHAB CC(=O)Nc1cc(C(=O)O[C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1F 95468928 HDJRRJKUABLNOA-BEFAXECRSA-N 384.451 3.852 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)Cc1ccc([S@](C)=O)cc1 95963971 FNLOUAGMIYTKDX-HHHXNRCGSA-N 382.485 3.589 0 40 GHAB CS(=O)(=O)c1cccc(OCCN[C@H]2CCC[C@@H]2c2ccc(F)cc2)c1 97141102 KXYPXRFWYPCBLP-UXHICEINSA-N 377.481 3.534 0 40 GHAB Cc1nn(Cc2c(F)cccc2Cl)c(C)c1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101581568 NZCJMZNBLGLGAI-KBPBESRZSA-N 387.842 3.796 0 40 GHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1cccc(Cl)c1-n1cncn1 103116382 FDACTUUGHGPASG-RCRDTURJSA-N 386.883 3.581 0 40 GHAB Cc1ccc(O)c(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)n1 103342436 HJQMNWOIIJXWAB-QGZVFWFLSA-N 393.409 3.568 0 40 GHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 113960481 QPJIUFRDADJITK-IBGZPJMESA-N 379.460 3.589 0 40 GHAB Cc1cccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1C 113965621 YHIGYWUQPKUFAV-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc(OC)c1O 138042329 CFBIVVPQSCMBOS-MYEKDBIISA-N 391.514 3.812 0 40 GHAB CN1CC[C@@H](NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)C1=O 152415924 VDJPDMJEMAIXMO-MRXNPFEDSA-N 398.846 3.626 0 40 GHAB Cc1cc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc(N(C)C)n1 191608321 RECGREMCNGJGKM-UHFFFAOYSA-N 387.793 3.845 0 40 GHAB CCOC(=O)c1csc([C@H]2C[C@@H](C(C)C)N([S@@](=O)C(C)(C)C)CO2)n1 207874425 MJUCCZCSCZYKTM-ODZUORAKSA-N 388.555 3.528 0 40 GHAB Cn1nc(-c2cccs2)cc1C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220753833 FEJKZWGBEXLQRW-ZDUSSCGKSA-N 397.504 3.504 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C 222399221 GASUMRSQJAWZAJ-GOSISDBHSA-N 384.545 3.700 0 40 GHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)n1-c1cccnc1 222822414 YOEBAWCLRCLMNT-VQTJNVASSA-N 377.517 3.957 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 223725071 QCPANQVGUVFAID-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1S(=O)(=O)N1CCCC1 224022429 WFXJHBVNYGQYAE-UHFFFAOYSA-N 380.554 3.724 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)c2)cc1 224260395 XVSVGHSWVYDLCJ-CBGDNZLLSA-N 398.528 3.739 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C 224704546 DGPFVGWGSKRYCS-IBGZPJMESA-N 382.504 3.626 0 40 GHAB O=C(CCc1cccc2ccccc12)NCc1cccc(CN2CCOCC2)c1 224751064 KBJOWCNVVOHNFV-UHFFFAOYSA-N 388.511 3.921 0 40 GHAB COc1ccc(Cl)cc1NC(=S)N1CCN(Cc2cccc(O)c2)CC1 225220971 KLWBUJBRUNFECW-UHFFFAOYSA-N 391.924 3.569 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccccc1 225399531 VECDPKUVLSOPSV-INIZCTEOSA-N 388.895 3.662 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 225555060 HWVJPQASTIZAHI-HNNXBMFYSA-N 390.886 3.964 0 40 GHAB O=C(c1cncc(Br)c1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225737728 WEQJQUIQSSFHDZ-MRXNPFEDSA-N 398.260 3.686 0 40 GHAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4cccc(C)n4)C3)o2)c1 257217237 CYEFUDLYQOSSQK-SFHVURJKSA-N 391.471 3.997 0 40 GHAB Cc1cnc(C(=O)N2CCCC[C@H]2c2cc(C)nc(-c3c(C)noc3C)n2)cn1 257226623 FLJUIADWIGUWBU-SFHVURJKSA-N 392.463 3.523 0 40 GHAB CN(Cc1cc(Cl)ccc1OCc1ccccc1)[C@@H]1CCC[C@@H](O)[C@@H]1O 257237704 HHSFXHLIIALTAT-SFHLNBCPSA-N 375.896 3.625 0 40 GHAB CN1CC2(C1)CN(Cc1ccccc1)C[C@@]21CCCN(Cc2ccco2)CC1 306132728 LQMKNZZXURCYNH-QHCPKHFHSA-N 379.548 3.700 0 40 GHAB O=C(NCc1ccnc(-c2ccncc2)c1)[C@@H]1CCCN1c1nc2ccccc2o1 390827044 DQSKTNNWVKGYPX-FQEVSTJZSA-N 399.454 3.570 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 408680900 SPCQDSAAVRJWQP-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB CC(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2Br)cc1 408706879 GVGHMPWDPLPJEQ-UHFFFAOYSA-N 375.266 3.827 0 40 GHAB O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)NCc1ccco1 409008044 VDYKDDRCQXKHCN-UHFFFAOYSA-N 395.440 3.803 0 40 GHAB CCc1ccc(C2=NN(C(=O)Cc3ccccc3)[C@@](O)(C(F)(F)F)C2)cc1 409095468 HXVFNDANUCBCAJ-IBGZPJMESA-N 376.378 3.679 0 40 GHAB COCCn1c(C(=O)N[C@@H]2CCc3cc(OC)c(OC)cc32)cc2ccccc21 524735212 GPLCJJZIUSMMSZ-GOSISDBHSA-N 394.471 3.722 0 40 GHAB CCCc1c(C(=O)Nc2ccc3nncn3c2)nnn1-c1cccc(C(C)C)c1 539708107 UGJJUNAHFCSPKF-UHFFFAOYSA-N 389.463 3.638 0 40 GHAB Cc1cc(=NC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)[nH]n1CC(F)(F)F 557147314 PALMXIFKPBWWNT-ZFWWWQNUSA-N 384.377 3.773 0 40 GHAB COc1c(F)c(F)cc(C(=O)N2CC[C@@H](n3c(C)nc4ccccc43)C2)c1F 575618175 SZDMCOUTWGBTNJ-GFCCVEGCSA-N 389.377 3.858 0 40 GHAB FC(F)(F)c1csc([C@@H]2CCCN(c3nccc(-c4cnccn4)n3)C2)n1 584571017 YLURJDTTXFDDTE-LLVKDONJSA-N 392.410 3.793 0 40 GHAB O=C(NCCn1cc(-c2cccnc2)cn1)C(c1ccccc1)c1ccccc1 585148375 KWQUGEYAAQARGZ-UHFFFAOYSA-N 382.467 3.893 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)N2CCCC3(CC2)CC3)cc1 626589329 RXOBFFNQXWRQKS-UHFFFAOYSA-N 379.526 3.561 0 40 GHAB COCCOc1cc(C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)nc2ccccc12 678649668 PBJNZNMSOIZPSU-QZTJIDSGSA-N 398.503 3.539 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)N1CC=CC1 1570106016 XDCXRZJUDIGIGH-UHFFFAOYSA-N 386.864 3.671 0 40 GHAB CCCCCC(=O)N1CCC2(CC1)CN(C(=O)c1csc(Cl)c1)CCO2 1615611571 MVGSIDRCRBATFM-UHFFFAOYSA-N 398.956 3.815 0 40 GHAB COc1ccc(-c2cc(CNC(=O)c3cnc(O)c4ccccc34)on2)cc1 1628944146 MODQLGVQWLEDPV-UHFFFAOYSA-N 375.384 3.534 0 40 GHAB COc1ccc2nc(N3CCC[C@H](C(=O)N4CCC(F)(F)CC4)C3)sc2c1 2298218167 XPRRHTVFSULSCF-ZDUSSCGKSA-N 395.475 3.779 0 40 GHAB Cc1ccc([C@@H](CNC(=O)Cc2ccc(Br)cc2)N2CCCC2)o1 58415728 NFUIBTIQNYZSNW-QGZVFWFLSA-N 391.309 3.846 0 40 GHAB Cc1ccc([C@@H]2N=C(NCc3ccc(Cl)cc3)Nc3nc(C)cc(=O)n32)cc1 100134421 GABAKYXNRDLJOA-LJQANCHMSA-N 393.878 3.632 0 40 GHAB CC[C@H]1CN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)CCO1 30859041 PLWWMEPLVQDPDT-AWEZNQCLSA-N 382.291 3.798 0 40 GHAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)N1CCCc2ccccc21 886839 VVVYHGICYBMXDW-UHFFFAOYSA-N 393.447 3.717 0 40 GHAB O=C1Cc2ccccc2N[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 1612036 SEEMHXPJVDRSJN-FCHUYYIVSA-N 377.465 3.808 0 40 GHAB CC[C@H](c1ccc(S(=O)(=O)O)cc1)[C@H](CC)c1ccc(S(=O)(=O)O)cc1 2019604 VVNNCRNANKENRU-QZTJIDSGSA-N 398.502 3.867 0 40 GHAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1Cl 6152760 HRMUXBSPUVBCRR-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB COc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2SC)c1OC 11131518 RCOLDIMGWAYKPC-GFCCVEGCSA-N 375.446 3.610 0 40 GHAB CCOC(=O)c1[nH]c(COC(=O)CCC2CCCC2)c(C(=O)OCC)c1C 6497533 IDKWKZYOCPFJFG-UHFFFAOYSA-N 379.453 3.690 0 40 GHAB CCn1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)c2ccccc21 6948172 MWTAQIFWGNUBLO-MFOYZWKCSA-N 386.473 3.897 0 40 GHAB Cc1nc(-c2cccc(NC(=O)COC(=O)c3ccc4c(c3)OCO4)c2)cs1 32671836 REGWYUNUZUAARW-UHFFFAOYSA-N 396.424 3.643 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(=O)NC(C)C 10008997 BZKDRLXBFADQQU-UHFFFAOYSA-N 396.896 3.596 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 8041042 GFICVEZYSALCJL-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB COc1ccc(Cn2nnnc2SCCOc2cccc(Cl)c2)cc1 21732150 WSZDTXNYUIWQBS-UHFFFAOYSA-N 376.869 3.555 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 58007626 AQZWGANRHSDMEA-QGFLDLQWSA-N 393.487 3.784 0 40 GHAB CCn1c(S)nc2cc(C(=O)N3CCCc4cc(C)ccc43)ccc2c1=O 102758368 OROPLUUMMWFFKC-UHFFFAOYSA-N 379.485 3.607 0 40 GHAB CC[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2cc(C)ccc2C)CC1 57670569 KTVOLNSZIMIXHC-OAQYLSRUSA-N 390.535 3.612 0 40 GHAB CC1CCC(NC(=O)c2cccnc2SCc2ccc(C(N)=O)cc2)CC1 41613901 FBDIAOOVVVSJIU-UHFFFAOYSA-N 383.517 3.781 0 40 GHAB Cc1cc(CNC(=O)N2CCC(c3noc(C)n3)CC2)c2[nH]c(C)c(C)c2c1 69823402 QMIREQJQYUZGKI-UHFFFAOYSA-N 381.480 3.874 0 40 GHAB COc1c(Cl)cc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)cc1Cl 53964159 FXPKJEPDTRMLQL-SECBINFHSA-N 379.243 3.988 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc1C 54270259 BWIINEGREPSHTB-UHFFFAOYSA-N 379.416 3.870 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 23529067 TYZLEQGCEJYDKK-HNNXBMFYSA-N 380.872 3.804 0 40 GHAB O=C(NCc1ccccc1CN1CCOCC1)c1cc2ccc(F)cc2s1 24379713 IRJIWMMWDHYMKR-UHFFFAOYSA-N 384.476 3.803 0 40 GHAB COc1cc(NC(=O)Cn2cnc3cc(F)c(F)cc32)c(OC)cc1Cl 24427063 QKDKBBSNQGORFC-UHFFFAOYSA-N 381.766 3.624 0 40 GHAB COc1ccc(OC)c2c1CN(C(=O)Nc1ccc3nc(C)sc3c1)C[C@@H]2O 43375310 BQIYZZNFEWKIFV-HNNXBMFYSA-N 399.472 3.703 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)c1 20143311 CHXCENKESXSVON-UHFFFAOYSA-N 383.400 3.717 0 40 GHAB Cc1cc2nc3c(c(O)n2n1)C[C@@H]1CC[C@@H](C3)N1Cc1ccc(Cl)c(F)c1 100731765 ALFNEIFVVKTJIC-KBPBESRZSA-N 386.858 3.668 0 40 GHAB COc1ccc(-c2cc(C(=O)NCCc3ccc(Cl)cc3)n[nH]2)c(OC)c1 57477359 KDDZXPYNJRKMFF-UHFFFAOYSA-N 385.851 3.720 0 40 GHAB CCc1nc2ccc(C(=O)Nc3cc4c(cc3C(C)=O)OCO4)cc2nc1CC 22372131 AJPZYUPWZYDBCB-UHFFFAOYSA-N 391.427 3.938 0 40 GHAB COc1ccc2c(C)c(CCC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c(=O)oc2c1 108984380 YLRBYWKHHMIZQV-NARAOEGZSA-N 383.488 3.984 0 40 GHAB O=C(CNc1cccc(-c2nnnn2C2CC2)c1)N1CCC[C@@H]1c1cccs1 44758964 OKZVFEFYKBNYTJ-QGZVFWFLSA-N 394.504 3.512 0 40 GHAB O=C(CNC(c1ccccc1)c1ccccc1)c1c[nH]c(C(=O)N2CCCC2)c1 58169329 NOLSLUBDJLVYSL-UHFFFAOYSA-N 387.483 3.813 0 40 GHAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(Br)o1 10281591 YOQSYNGSMHRNIL-UHFFFAOYSA-N 377.282 3.958 0 40 GHAB COC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1ccccc1Br 12600245 XRBGYQYGUSQSQG-LBPRGKRZSA-N 391.265 3.525 0 40 GHAB O=C1OCC[C@@H]1Sc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 3317038 YBTAILNGVHZPMD-HNNXBMFYSA-N 390.823 3.586 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 12793057 BCCPLWGCJAKGOT-JOCHJYFZSA-N 394.496 3.907 0 40 GHAB Cc1cccc(NC(=O)CN2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c1C 12750276 FPRNYXXMCAVXNP-LJQANCHMSA-N 393.531 3.580 0 40 GHAB CCN(CC)c1nc2ccccc2n([C@H](C)C(=O)Nc2cccc(C)c2)c1=O 12898633 RXGXEWSNFSLBPJ-MRXNPFEDSA-N 378.476 3.751 0 40 GHAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(C(=O)c2ccc(F)cc2)CC1 3411052 DMSBCAIPFHYZCU-NRFANRHFSA-N 380.463 3.872 0 40 GHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C)cc1 3429029 KQNPDNBYWKYVGR-GOSISDBHSA-N 390.936 3.816 0 40 GHAB O=C(COC(=O)c1cc(-c2cccnc2)nc2ccccc12)NCc1ccccc1 12968207 ALOSXNLUPAHDLQ-UHFFFAOYSA-N 397.434 3.770 0 40 GHAB CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 12981704 RMSVSPMWSYYXPN-UHFFFAOYSA-N 386.517 3.776 0 40 GHAB Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1C[C@H]1CCCO1 3598769 RKHNVHKVYMYKOQ-GOSISDBHSA-N 381.428 3.652 0 40 GHAB O=C(OCC(=O)N1CCCCC1)c1cc(-c2ccccc2)nn1-c1ccccc1 3563414 ZZOXVXJYKFYHQB-UHFFFAOYSA-N 389.455 3.709 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1nc2ccccc2o1 7901482 BYEHDDMPQZIXSB-UHFFFAOYSA-N 375.306 3.940 0 40 GHAB COc1cccc([C@H](NC(=O)NCCc2cccc(Cl)c2)c2nccn2C)c1 29338248 LBLDOXRJEYHWJY-IBGZPJMESA-N 398.894 3.713 0 40 GHAB CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)n1 13683083 ADOBWYHWYXZCGY-UHFFFAOYSA-N 387.427 3.678 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)c(C(=O)O)c1 20144178 HHJGWUBXVNHMDR-UHFFFAOYSA-N 384.613 3.818 0 40 GHAB c1ccc(SCc2nnc3sc([C@@H]4COc5ccccc5O4)nn23)cc1 8393282 COLQGRFBIWQKLE-HNNXBMFYSA-N 382.470 3.991 0 40 GHAB O=c1c(-c2ccccc2)nnc2sc(-c3cccc(Br)c3)nn12 8393670 ZJLAAQMZVUDHRN-UHFFFAOYSA-N 385.246 3.643 0 40 GHAB CCNc1nnc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)s1 8316260 OWZNMACLXAWJPX-LLVKDONJSA-N 380.564 3.980 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cn2N)cc1 4405960 AWABTDUJZMVJHW-AWEZNQCLSA-N 380.473 3.586 0 40 GHAB Cc1cc(NC(=O)CCn2c(=O)oc3ccccc32)ccc1Br 6540001 PWYKPGWAUUVEOF-UHFFFAOYSA-N 375.222 3.694 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(Cl)cc2Cl)cc1 5585621 KSWDJKDMNFOEAY-UHFFFAOYSA-N 389.256 3.633 0 40 GHAB CCCCCn1nc(C(=O)Oc2ccc(C(=O)OC)cc2)c2ccccc2c1=O 6948717 OVJSISLDVFEGJC-UHFFFAOYSA-N 394.427 3.593 0 40 GHAB CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 67026555 YSFAYASCIBRECK-CYBMUJFWSA-N 391.924 3.958 0 40 GHAB CNC(=O)c1ccc(NC(=O)COc2cccc(Oc3ccccc3)c2)cc1 8749362 GJWWOFMECQUOQB-UHFFFAOYSA-N 376.412 3.856 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(C)s3)nnc12 8744573 RMQVPHNMUJRHFV-UHFFFAOYSA-N 398.513 3.799 0 40 GHAB COc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccncc2)cc1 9185506 FGRPNMPNRMRUNZ-UHFFFAOYSA-N 385.423 3.779 0 40 GHAB Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccccc1)S2 9237512 RIDKQKXGHPVUBP-JKSUJKDBSA-N 385.880 3.638 0 40 GHAB CSc1cccc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)c1 9321030 ASOUNFKTJMASKM-UHFFFAOYSA-N 390.468 3.524 0 40 GHAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)c3ccc(OC)cc3)c12 9344326 JZVISQNJZBNENK-UHFFFAOYSA-N 396.443 3.933 0 40 GHAB O=C(CCc1nc(-c2cc3ccccc3[nH]c2=O)no1)Nc1cccc(Cl)c1 64790001 MAVVWRIKLQXXBL-UHFFFAOYSA-N 394.818 3.803 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2nnn(-c3ccccc3)c2C2CC2)c(OC)c1 84651686 SZYPIQPEHKKLLZ-AWEZNQCLSA-N 392.459 3.653 0 40 GHAB Cc1ccc(-n2cc(C(=O)N(CC(F)(F)F)c3nc(C)cs3)nn2)cc1 98105732 PAIKHHBKYAIKCD-UHFFFAOYSA-N 381.383 3.550 0 40 GHAB Fc1ccccc1COc1ccc2ccccc2c1CNCCN1CCOCC1 23469467 SOMNGUIHXAEILI-UHFFFAOYSA-N 394.490 3.980 0 40 GHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCCC3)o2)C1=O 409106020 LRUSPWYZMJGQKC-RVDMUPIBSA-N 392.477 3.648 0 40 GHAB COc1ccc(CCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1OC 61110797 LJMNHHQKKGZLJG-UHFFFAOYSA-N 393.487 3.538 0 40 GHAB CN1CCN(Cc2ccccc2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 306125547 CTSRRCHJYYKUPC-NRFANRHFSA-N 389.528 3.947 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 408720901 AMVLMWISKMGEDD-UHFFFAOYSA-N 392.436 3.596 0 40 GHAB O=C(c1ccncc1)N1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 72378157 LGNDXCICKJMRTH-MRXNPFEDSA-N 396.878 3.709 0 40 GHAB O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 72362657 LIBABVBSSQVTBQ-OAHLLOKOSA-N 389.459 3.501 0 40 GHAB COc1ccccc1Cc1nnc(NC(=O)c2n[nH]c3ccc(C)cc23)s1 36752739 USCOZKUAWZDAJS-UHFFFAOYSA-N 379.445 3.575 0 40 GHAB COc1ccc(-c2c[nH]c3c(SCC(=O)Nc4nccs4)ncnc23)cc1 90610147 QLOMSDAAIDDHCW-UHFFFAOYSA-N 397.485 3.821 0 40 GHAB Cc1c(C(=O)N2CCCCC2)sc2ncnc(N(C)CCc3ccccn3)c12 14981373 HLBRQZGGEWEYKC-UHFFFAOYSA-N 395.532 3.700 0 40 GHAB O=C(CNCc1ccc2c(c1)OCO2)Nc1ccc(N2CCCCCC2)cc1 35311424 ZHZJUNCIGUEVME-UHFFFAOYSA-N 381.476 3.524 0 40 GHAB COc1ccc(SCC(=O)NCCSCc2ccccc2)cc1OC 38755794 UEUBZEUTFJKPRE-UHFFFAOYSA-N 377.531 3.846 0 40 GHAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 72384411 YTJQHDNIWKMKOZ-IBGZPJMESA-N 396.422 3.919 0 40 GHAB Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)Cc3cccnc3)C2)n1 72362372 FZMKKWNOMJZUNW-IBGZPJMESA-N 388.471 3.921 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 225100542 OXMUTEVWCHSPPW-OAQYLSRUSA-N 382.504 3.707 0 40 GHAB CCN(CC)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)cn1 40118591 XNFYAHYPOJMBBB-UHFFFAOYSA-N 389.503 3.921 0 40 GHAB CCOC(=O)N1CCN(C(=O)c2ccc(C(=O)C3CCC(C)CC3)cc2)CC1 80340454 MBEYABVYAKEARI-UHFFFAOYSA-N 386.492 3.610 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)NCCOc1cccc2ccccc12 223540227 JCQXLKBJQCTNGB-UHFFFAOYSA-N 375.877 3.992 0 40 GHAB CCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC[C@@H]2C)n1 225886039 DHKMLOASUUAIDL-INIZCTEOSA-N 390.601 3.932 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 223622457 UUWUCPQXDAXTLQ-IBGZPJMESA-N 382.504 3.544 0 40 GHAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccc(F)cc1F 225739788 BHVNISJJXMPOKR-UHFFFAOYSA-N 393.187 3.681 0 40 GHAB C[C@H](N[C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1cc2cccc(F)c2o1 574708492 PJIDDFREROYZRE-SGTLLEGYSA-N 388.464 3.948 0 40 GHAB CC(C)Cn1c(CCNC(=O)CCc2ccc3c(c2)CCO3)nc2ccccc21 96232462 ZRMITMDIWYRNLJ-UHFFFAOYSA-N 391.515 3.919 0 40 GHAB CCCN1CCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c2cc(F)ccc21 530454432 ARKFVYXDEWSGQU-INIZCTEOSA-N 385.414 3.654 0 40 GHAB COc1cc2c(cc1OC)[C@H](NC(=O)CCn1ccc3c(OC)cccc31)CC2 524733932 FOWRTINUYPHHAJ-GOSISDBHSA-N 394.471 3.861 0 40 GHAB CCC(CC)(C(=O)N1CC[C@]2(CCCOC2)C1)c1ccc(OC)c(OC)c1 585081442 IDANPGNQQOCDES-OAQYLSRUSA-N 375.509 3.791 0 40 GHAB Cc1nn(C)c(OC[C@H]2CCCCO2)c1C(=O)NCc1ccc2sccc2c1 585085616 ALYSABFEGYHWQR-QGZVFWFLSA-N 399.516 3.821 0 40 GHAB CCNC(=O)C[C@H]1CCCCN1Cc1cn(C)nc1-c1cc2ccccc2o1 585081452 MLHRPZXIUVPHLH-GOSISDBHSA-N 380.492 3.714 0 40 GHAB COc1cccc([C@@H]2C[C@H](C)CN2C(=O)CCc2nc(O)c3ccccc3n2)c1 680196963 PMBMVWGYVHUUAS-YWZLYKJASA-N 391.471 3.886 0 40 GHAB CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cc(C)c(C)o1)C2 585106589 CHJSUQPTWPGVQP-JOCHJYFZSA-N 376.460 3.663 0 40 GHAB CCS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1 48366403 DHPBSTMSLLGFHW-UHFFFAOYSA-N 387.288 3.936 0 40 GHAB COc1ccc(CN[C@@H](C(=O)NC(C)C)c2ccccc2)cc1OC(F)F 56144098 BSIMLKHZBACFAG-GOSISDBHSA-N 378.419 3.652 0 40 GHAB O=C(NOCc1ccccc1)N1CCO[C@@H](c2ccc(Br)cc2)C1 63182913 WPVXVIHSVVCHKR-QGZVFWFLSA-N 391.265 3.664 0 40 GHAB O=c1cc([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)nc(-c2cccnc2)[nH]1 72393069 NNJSSADEDRFXDO-KRWDZBQOSA-N 380.879 3.865 0 40 GHAB CCOc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(C)C 5000729 UYHMSAGIZPGBKZ-CXUHLZMHSA-N 395.411 3.946 0 40 GHAB C[C@H](NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccccc1 5317017 GZVLSFFVZRIRPT-NSHDSACASA-N 376.243 3.581 0 40 GHAB CC[C@@H](CN1CCCCC1)NC(=O)Cc1c(C)nn(-c2ccccc2C)c1C 12239787 WJFJNHZZGQCDPL-FQEVSTJZSA-N 382.552 3.721 0 40 GHAB Cc1ccc(NC(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1C 13606685 PWFXGZQATHUAON-UHFFFAOYSA-N 377.448 3.708 0 40 GHAB O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 14051827 LVTAACMWDCIZET-UHFFFAOYSA-N 398.459 3.599 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2C)cc1 17355619 PABPFMVJGUHDGR-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2Cc2cnn(C)c2)n1 19690122 KVIZXDDEOLWRFE-LJQANCHMSA-N 396.926 3.934 0 40 GHAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H](NC(=O)c3scnc3C)CC2)cc1 19656907 LEPODZDUZBODEA-GOSISDBHSA-N 399.560 3.849 0 40 GHAB Cc1sc2nc([C@@H](C)Sc3nnc(-c4ccco4)n3C)[nH]c(=O)c2c1C 4485598 VLDZJUKDECHBTA-SNVBAGLBSA-N 387.490 3.843 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@H]2CN(c3nc4cnccc4s3)C[C@H]2C1 1888914020 HKKPWWJYZRZDPC-TXEJJXNPSA-N 391.422 3.678 0 40 GHAB COC1CN(c2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)C1 245026687 NGPJRFOAJMOEKO-UHFFFAOYSA-N 387.288 3.629 0 40 GHAB O=C(c1cccs1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@@]21CCOC1 1614947440 WWSMMGRNTOLOMZ-HSZRJFAPSA-N 396.556 3.893 0 40 GHAB Cc1ccc2sc(N3CCN(c4nc(O)cc(C(F)F)n4)CC3)nc2c1C 2087044503 DSCHOLXYHKDZLF-UHFFFAOYSA-N 391.447 3.673 0 40 GHAB CCCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccs1 8843920 YPZFRFQRLINXDO-INIZCTEOSA-N 391.518 3.597 0 40 GHAB COc1ccc2nc(-c3ccc(F)c(NC(=O)Cc4ccccc4)c3)cn2n1 11693514 UBTSFEJAKZRLGF-UHFFFAOYSA-N 376.391 3.725 0 40 GHAB COc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1 21882492 WSNYLNGWYWCZCL-UHFFFAOYSA-N 397.500 3.833 0 40 GHAB O=C(COc1ccccc1F)N(CCn1cccn1)c1nc2ccccc2s1 23144718 YAYRLWPGWGJXCN-UHFFFAOYSA-N 396.447 3.744 0 40 GHAB O=C(CSc1nc2ccccc2o1)N1CC(Oc2nc3ccccc3s2)C1 206657084 DETJGFRAGCRHDU-UHFFFAOYSA-N 397.481 3.819 0 40 GHAB Cn1cc(-c2ccc(CNC(=O)c3cc(-c4ccc(F)cc4)c[nH]3)cn2)cn1 575616699 NUCPDMURYJCRQO-UHFFFAOYSA-N 375.407 3.546 0 40 GHAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccc2c(c1)CCCC2 585147983 LJFDCFHSZYBZHZ-NRFANRHFSA-N 397.496 3.837 0 40 GHAB CCN1CCc2c(sc(NC(=O)c3cc(Cl)cc(Cl)c3)c2C(N)=O)C1 4087081 LVYSWIRFIHZWAM-UHFFFAOYSA-N 398.315 3.784 0 40 GHAB Cc1cc(NC(=O)c2ccc(N3CCCCC3)nn2)ccc1Br 77099898 NSRSMVQQDYRJSA-UHFFFAOYSA-N 375.270 3.790 0 40 GHAB CN(Cc1ccccc1C(F)(F)F)C(=O)NCCCN1CCCCCC1=O 40068750 PEOUYVSRYXEMKA-UHFFFAOYSA-N 385.430 3.640 0 40 GHAB CCS(=O)(=O)c1ccccc1NC(=O)c1ccc(F)cc1Br 40074540 SNQJSCBZXZKSOC-UHFFFAOYSA-N 386.242 3.634 0 40 GHAB Cc1cc(C)n2ncc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)c2n1 40068901 UFVYNXMUKAJWRK-HNNXBMFYSA-N 391.500 3.976 0 40 GHAB COc1ccc(CN(C)C(=O)c2cc(C3CC3)nc3onc(C)c23)cc1OC 40025432 KLXIHVDEYSUZFQ-UHFFFAOYSA-N 381.432 3.698 0 40 GHAB COc1ccc(-c2c(C)oc3cc(OC(=O)N(C)C)ccc3c2=O)cc1OC 631351 SWUWIRCIBYVADA-UHFFFAOYSA-N 383.400 3.846 0 40 GHAB biogenic COC(=O)c1ccccc1NC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1 655752 REHHFEQLFXOYCM-UHFFFAOYSA-N 396.300 3.643 0 40 GHAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)c(C)c1 1362784 IZNJCMAZNRPOMR-INIZCTEOSA-N 395.532 3.953 0 40 GHAB CCCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 2027926 LDLPAHUJHBIHIG-UHFFFAOYSA-N 381.384 3.532 0 40 GHAB CCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccc(OC)cc1)N2 2423885 SKQVSZXJHBGSGS-QZTJIDSGSA-N 395.438 3.921 0 40 GHAB COc1c(Br)cc(Br)cc1/C=C1/SC(=O)NC1=O 3027646 XAEZVAFARGTXNY-FPYGCLRLSA-N 393.056 3.544 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(I)cc2C)cc1 3100349 TYGLUIACDXKQPL-UHFFFAOYSA-N 381.213 3.789 0 40 GHAB CC(=O)Oc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 3147155 BSWYEGGKFXPQCV-SXGWCWSVSA-N 386.201 3.719 0 40 GHAB CC(=O)c1cccc(OCC(=O)Nc2ccccc2I)c1 3499929 QGZDANBSZMEBEA-UHFFFAOYSA-N 395.196 3.511 0 40 GHAB CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)CCc3ccccc3)ccc12 3579184 FWMQOTJMKZMFHH-INIZCTEOSA-N 379.456 3.872 0 40 GHAB CCOC(=O)c1cn2c(n1)C=C[C@H]1C(C(F)(F)F)=CC(C(F)(F)F)=N[C@@H]12 3883248 SQSDNQBEMPGWDM-JVXZTZIISA-N 379.260 3.707 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 4506688 BLPGABCTVNFVIP-UHFFFAOYSA-N 382.460 3.828 0 40 GHAB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccccc3F)o2)c1 4510771 NRVCIEDIZGQBLZ-UHFFFAOYSA-N 389.408 3.624 0 40 GHAB C[C@H]1CCN(C(=O)CSc2nnnn2-c2ccccc2)c2ccccc2S1 5035239 DUXZWKRSGLEPHT-AWEZNQCLSA-N 397.529 3.672 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 5042894 AHDLEHNSDIJWDR-UZLBHIALSA-N 379.456 3.769 0 40 GHAB COc1ccc(C(=O)N(c2ccc(C(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 5081673 LCSBMHLKRGKWPQ-IBGZPJMESA-N 385.485 3.776 0 40 GHAB O=C(CC(c1ccccc1)c1ccccc1)NCc1n[nH]c(=O)c2ccccc12 5313340 HLUNIUMICPYANE-UHFFFAOYSA-N 383.451 3.762 0 40 GHAB O=Cc1cn(CC(=O)Nc2ccc(Br)cc2F)c2ccccc12 6045785 SSDOHQGWFMUBIJ-UHFFFAOYSA-N 375.197 3.994 0 40 GHAB CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1ccc2c(c1)OCO2 7250580 CMYUKOHLBCNTJP-UHFFFAOYSA-N 395.503 3.866 0 40 GHAB COc1cc(CCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc(OC)c1 7271622 ZSMAHVVVPYAQDS-UHFFFAOYSA-N 391.851 3.780 0 40 GHAB COc1cc(COC(=O)c2ccc(N3CCCC3=O)cc2)ccc1OC(F)F 7392715 JTJHKCSVRLDRLT-UHFFFAOYSA-N 391.370 3.780 0 40 GHAB C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 7779067 IHKPMEAKKPPXQY-MAUKXSAKSA-N 375.428 3.677 0 40 GHAB Cc1cc(-n2c(C)cc(CNCc3ccccc3CN3CCOCC3)c2C)no1 8345271 ZSESUELENKNVKZ-UHFFFAOYSA-N 394.519 3.513 0 40 GHAB CC(C)CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810745 FFSRLZNNPYFPDB-UHFFFAOYSA-N 382.432 3.542 0 40 GHAB COC(=O)c1cccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 9204991 ZIBFOFYAZDRNNQ-UHFFFAOYSA-N 375.837 3.734 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 9549655 NTCYCCDWOOJIFJ-UHFFFAOYSA-N 392.434 3.600 0 40 GHAB Cc1ccc(C(=O)N[C@H](C(=O)NCC2(c3ccccc3)CCC2)C(C)C)cc1 10221437 ADBSMRXWKMNPGI-NRFANRHFSA-N 378.516 3.988 0 40 GHAB C[C@H]1C[C@@H]1c1ccc(CN(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)o1 10229018 VIGJOOBFSQPBRC-KXBFYZLASA-N 381.476 3.600 0 40 GHAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-c1cccs1 10512283 ICFRSYLNKBPJDT-UHFFFAOYSA-N 389.454 3.923 0 40 GHAB CSc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 10763784 CGUXUTFULJQAJT-CYBMUJFWSA-N 396.559 3.509 0 40 GHAB COc1cc(OC)c(C2=CCN(C(=O)COc3ccc(C)cc3)CC2)c(OC)c1 11918318 FOXHENUVWHYIRS-UHFFFAOYSA-N 397.471 3.716 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)Cn1cccc2cc(C3CCNCC3)nc1-2 12220693 VUMQPUYAVXXSNW-GOSISDBHSA-N 390.531 3.592 0 40 GHAB COc1cc([C@@H]2CC(=O)Nc3nc(N)sc32)ccc1OCc1ccccc1 12419485 VMGVFGVQYFHLGC-AWEZNQCLSA-N 381.457 3.787 0 40 GHAB CCn1c(SCc2c(F)cccc2Cl)nnc1-c1cn(C)nc1OC 12422654 XSFQSHIMTLLBKF-UHFFFAOYSA-N 381.864 3.792 0 40 GHAB Cc1cc(/C=C/C(=O)N2CCN(c3ccccn3)CC2)c(C)n1Cc1ccco1 12750736 FWPVHUKWEGKJMU-CMDGGOBGSA-N 390.487 3.503 0 40 GHAB O=C(Nc1ccccc1C(=O)NCCOc1ccccc1F)c1cccs1 12774949 VAHUACQIQACYIW-UHFFFAOYSA-N 384.432 3.948 0 40 GHAB CC(=O)Nc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)s1 12928572 WYYUWKJQGAUQOR-IBGZPJMESA-N 388.489 3.995 0 40 GHAB O=C(Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 13072269 QCCGKPGSFAYTIH-UHFFFAOYSA-N 390.480 3.572 0 40 GHAB CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3ccc(C(C)C)cc3)ccc21 15329044 LPSFVLFZFYMUMU-UHFFFAOYSA-N 386.517 3.540 0 40 GHAB COc1cc(C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)cc(OC)c1OC 15839686 XHCBMMLDECCPSM-OAQYLSRUSA-N 392.455 3.935 0 40 GHAB CCCN(Cc1nnc(-c2cccs2)o1)S(=O)(=O)c1ccc(C)cc1 16087925 RFNAHLJJDBPXEK-UHFFFAOYSA-N 377.491 3.707 0 40 GHAB Cc1cccc(C)c1OC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 16959627 JQKFHWAMNPTIIZ-UHFFFAOYSA-N 387.501 3.626 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2OC(C)C)NC(=S)N1 18093817 KVKMSSWLNSJDES-IBGZPJMESA-N 381.501 3.905 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNCCc3cccs3)cc12 19565292 GUVBRXGWCSGZRN-UHFFFAOYSA-N 382.464 3.555 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(CCc2ccccc2)C1 19591661 QGZXVYGHBGNDLU-SANMLTNESA-N 399.538 3.972 0 40 GHAB C[C@@H](NC(=O)c1cc(COc2ccc(F)cc2)on1)c1ccc2c(c1)OCCO2 19663174 BJSYMVNHOQCIKH-CYBMUJFWSA-N 398.390 3.655 0 40 GHAB CCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)CC1 19705652 HCMKBOLQJDQVIW-UHFFFAOYSA-N 396.510 3.993 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2sc3nc[nH]c(=O)c3c2C)cc1 19717827 ABUOWHUNRIQVQP-HNNXBMFYSA-N 383.473 3.669 0 40 GHAB O=C(CSc1nc2ccccc2s1)N1CCN(Cc2ccccc2)CC1 19913513 PPGYABGPHBJYOB-UHFFFAOYSA-N 383.542 3.733 0 40 GHAB Cc1ccc(OC[C@@H](O)Cn2c(=N)n(Cc3ccccc3)c3ccccc32)cc1 20065927 IVYCKUSKZRQYJC-FQEVSTJZSA-N 387.483 3.719 0 40 GHAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 20714310 FZEUTLHCQZPFKO-RZZXHHIXSA-N 393.531 3.736 0 40 GHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(CCc2ccccn2)CC1 21149665 WJWBFARTAIGJPD-IBGZPJMESA-N 395.547 3.533 0 40 GHAB C[C@H](O)CNCCNCc1cc(Cl)ccc1OCc1ccccc1Cl 22075812 SYPSYSMYCFFQQI-AWEZNQCLSA-N 383.319 3.632 0 40 GHAB CN(C)[C@@H](CNC(=O)NCc1coc(-c2cccs2)n1)c1cccs1 24529156 BIQSUGPKDHNUBW-ZDUSSCGKSA-N 376.507 3.567 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(C(F)(F)F)cc3)cnc12 25053727 PHVNNHSSBILZME-UHFFFAOYSA-N 375.350 3.753 0 40 GHAB COC(=O)C1(NC(=O)COc2ccc3oc4ccccc4c3c2)CCCCC1 25171937 VWIHSZXYUWBZFZ-UHFFFAOYSA-N 381.428 3.957 0 40 GHAB C[C@@H]1c2ccsc2CCN1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 25454332 LXJJGSBJQLOZLM-MRXNPFEDSA-N 380.517 3.512 0 40 GHAB Cc1noc(C)c1CC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 25549803 KUMPWJXZXJHLML-UHFFFAOYSA-N 388.265 3.663 0 40 GHAB Cc1ccc2c(c1)CCCN2C(=O)CCc1c(C)nc(-c2ccccc2)[nH]c1=O 26934107 MEQUQRNUQUKQLD-UHFFFAOYSA-N 387.483 3.966 0 40 GHAB COc1cc(F)c(S(=O)(=O)Oc2ccccc2C(F)(F)F)cc1OC 27967650 LHCOJTKFTVYCNN-UHFFFAOYSA-N 380.315 3.629 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1 28791064 XOPOZPGBXYPPLN-UHFFFAOYSA-N 392.480 3.866 0 40 GHAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)C(c1ccccc1)c1ccccc1 32809106 NPXPPQCMFJOVAI-GOSISDBHSA-N 391.496 3.905 0 40 GHAB COc1ccccc1N(CCC(N)=O)C(=O)[C@H](c1ccc(Cl)cc1)C(C)C 32854596 JKNWBIIZBIBJMR-FQEVSTJZSA-N 388.895 3.997 0 40 GHAB CCN(CC)[C@H](CNC(=O)Cc1noc2ccccc12)c1cccc(OC)c1 36751125 FOURZWBSHZDGJB-HXUWFJFHSA-N 381.476 3.578 0 40 GHAB CN(CCOc1cccc(Cl)c1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 40001016 BGJXWHKOVVXOGQ-UHFFFAOYSA-N 396.915 3.824 0 40 GHAB O=C(CCCN1C(=O)CCC1=O)Nc1ccccc1-c1nc2ccccc2s1 40114876 IYOVHTWRGQRMCO-UHFFFAOYSA-N 393.468 3.831 0 40 GHAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC(CN2CCOCC2)CC1 40118561 MWBZEGXLFRRXOZ-UHFFFAOYSA-N 388.895 3.784 0 40 GHAB CNS(=O)(=O)c1ccc(-c2cccs2)c(C(=O)N2CCc3ccccc32)c1 40143253 SDDBUZVTNKWSNQ-UHFFFAOYSA-N 398.509 3.526 0 40 GHAB Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C)CCc2ccccc2)CC1 40156911 UTHMXHSANGTNPO-OAQYLSRUSA-N 379.548 3.881 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)c1cc(Br)ccc1F)N(C)C 42670283 JQJZDYBANSWXPF-MRXNPFEDSA-N 395.272 3.630 0 40 GHAB O=C1CCCN1c1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1 44575884 KUEHVWZNBQXFKG-QHCPKHFHSA-N 385.467 3.860 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccc3nc(C)c(C)nc3c2)c(C)c1 48237474 LSFYXIGVKZBLKH-UHFFFAOYSA-N 376.460 3.540 0 40 GHAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2C)c1=O 51357696 SQJSWTYSNPABPA-UHFFFAOYSA-N 393.487 3.609 0 40 GHAB COCCN1COc2ccc3c(=O)c(-c4ccc(OC)cc4)c(C)oc3c2C1 54313705 ITJHKBCOIZXOJW-UHFFFAOYSA-N 381.428 3.575 0 40 GHAB biogenic Cc1nc(SCc2cccc(OCC(F)(F)F)c2)sc1CC(N)=O 56282394 JVXQPNCOYWOVRO-UHFFFAOYSA-N 376.425 3.713 0 40 GHAB COc1ccc(Br)cc1NC(=O)NC1CCN(CC(C)C)CC1 56830931 UVAPIIGUNOSBEP-UHFFFAOYSA-N 384.318 3.700 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccccc1 56945376 XWAMFAMTPQYRIZ-OAQYLSRUSA-N 375.472 3.573 0 40 GHAB COc1c(Cl)cccc1NS(=O)(=O)c1ccc(OC)c2ncccc12 57123494 KNMUDALFKFQDFL-UHFFFAOYSA-N 378.837 3.706 0 40 GHAB Cc1nc(C)c(-c2nnc(S[C@H](C)C(=O)N3CCc4ccccc43)o2)s1 58155164 DVHAAZSXPOHEMF-LLVKDONJSA-N 386.502 3.880 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](c1nnc2ccccn12)C(C)C 58309991 PZPZNEGGYMUJCK-FQEVSTJZSA-N 389.459 3.749 0 40 GHAB O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC(n2cncn2)CC1 60294058 OBDDXKQAQAQDFU-UHFFFAOYSA-N 385.471 3.758 0 40 GHAB CC(C)(C)OC(=O)N[C@H](CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 61997409 CGUHFWWNNYWVGW-GOSISDBHSA-N 397.475 3.937 0 40 GHAB Cc1cc2nc(SCC(=O)Nc3cccc(Cl)c3)n(C(C)C)c(=O)c2[nH]1 67235977 PTWKDNFPJQMTMM-UHFFFAOYSA-N 390.896 3.998 0 40 GHAB Cc1cc2nc(SCC(=O)Nc3c(C)cccc3C)n(C(C)C)c(=O)c2[nH]1 67235996 QCZUIHQIJMHNPP-UHFFFAOYSA-N 384.505 3.962 0 40 GHAB CN(Cc1ccccc1)Cc1cc(CC2(NCc3ccc(F)cc3)COC2)no1 67898115 XVOMONZAMBKRQW-UHFFFAOYSA-N 395.478 3.547 0 40 GHAB biogenic,in-vitro COC(=O)c1cc(NC(=S)Nc2ccc(C)c(F)c2)cc(C(=O)OC)c1 71761688 BXVODXQJXNKOFY-UHFFFAOYSA-N 376.409 3.516 0 40 GHAB COc1ccccc1-c1n[nH]c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)n1 72191688 YXILKZUOSFFCOF-LLVKDONJSA-N 389.506 3.673 0 40 GHAB Fc1ccc(CSc2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)cc1 72235794 DBHCJMSPXPUHST-KRWDZBQOSA-N 376.501 3.879 0 40 GHAB Cc1nccc(C(=O)N2CC[C@@H](C)N(C(=O)OC(C)(C)C)c3ccccc32)n1 72303178 AHFCQBGSILBNFH-CQSZACIVSA-N 382.464 3.966 0 40 GHAB O=C(c1cnccn1)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72383795 QEVJYIMUGKPBFQ-KRWDZBQOSA-N 381.823 3.690 0 40 GHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)C2CC2)C1 72394131 HTYPXZWAHZTITG-HSZRJFAPSA-N 396.487 3.774 0 40 GHAB Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)O)c(F)cc2Cl)cc1 78752093 OEGBMQXWURLYIW-UHFFFAOYSA-N 396.827 3.595 0 40 GHAB COc1cc(/C=C/C(=O)N[C@@H](c2nccc(C)n2)C2CC2)ccc1OC(C)C 89701885 UXQJZNMIQISXET-VMLCMGRWSA-N 381.476 3.862 0 40 GHAB O=C(c1ccc(NC2CC2)nc1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 89834937 HISYKSQYVAGOGF-UNMCSNQZSA-N 390.531 3.783 0 40 GHAB O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC[C@H]1c1ccc[nH]1 89847702 ZTMCGHYYGBAGBA-SFHVURJKSA-N 384.457 3.559 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)CC(=O)c2ccco2)c2ccccc12 95443878 XQLCYJPLDMRWFZ-AWEZNQCLSA-N 387.457 3.771 0 40 GHAB CC(C)c1c(C(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)cnn1-c1ccccc1 95447627 SIHDHBFXCPZYQR-OAHLLOKOSA-N 394.441 3.704 0 40 GHAB C[C@@H]1CCCN(C(=O)c2ccc(N3CCCN(Cc4cccs4)CC3)nc2)C1 95958769 ZRMZXMKXGRFOEK-GOSISDBHSA-N 398.576 3.728 0 40 GHAB C[C@]12CC[C@@H](C[C@@H]1C(=O)N1CCCCCC1)[C@]1(C2)NC(=O)c2ccccc2N1 100116026 MBKJQAGOJLTKNZ-DTJFYBITSA-N 381.520 3.767 0 40 GHAB O=C1[C@@H]2CCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N[C@@H]2c1ccc2c(c1)OCO2 100574902 SUOGCSHCUPAGNZ-LYDRAKHJSA-N 379.412 3.515 0 40 GHAB COc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)cc1 100750210 FWJSYLMVJZVMIJ-JXALWOEJSA-N 395.547 3.858 0 40 GHAB O=C1[C@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 101198260 WSMQNLKUIRGZOC-HIFRSBDPSA-N 395.629 3.939 0 40 GHAB Cc1ccc(C(=O)COc2ccccc2N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 102592344 KGFACBXTOKAQCI-FHQLIMNDSA-N 387.435 3.568 0 40 GHAB COC(=O)COc1ccc(NC(=O)CCCCCOCc2ccccc2)cc1 114672464 VTFPQUKTGYIKDA-UHFFFAOYSA-N 385.460 3.954 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 216285243 UXJBXCSFXZIRFT-KBXCAEBGSA-N 394.924 3.762 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc(CS(=O)(=O)N2CCCC2)cc1 216464644 QHIRCUPOBOQQBK-UHFFFAOYSA-N 378.881 3.518 0 40 GHAB COc1cc(OC)cc(OCC(=O)NCCSCc2ccc(Cl)cc2)c1 218887720 JVWPGYDXUGYCTQ-UHFFFAOYSA-N 395.908 3.786 0 40 GHAB CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1cc(C)ccc1C)S(C)(=O)=O 220540158 BSLTVBUBKJKYTN-IBGZPJMESA-N 392.565 3.855 0 40 GHAB COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222916548 BPQZXRIJLUZUEB-WOJBJXKFSA-N 386.565 3.775 0 40 GHAB CCOc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(CC)cc3)n2)cc1 223141106 FESZXCLFIGOCRS-UHFFFAOYSA-N 379.460 3.899 0 40 GHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C 223492368 XBHMQZUIVJNHLV-PMACEKPBSA-N 377.517 3.605 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 223827555 VVOFKEMAJAIRON-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2ccccc2C(C)C)c(C)c1 223834535 BAGQVZAJBGRQNL-UHFFFAOYSA-N 377.506 3.793 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 225253635 AACJCOFACUOLGA-HXUWFJFHSA-N 386.467 3.538 0 40 GHAB CCOc1ccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)cc1 225648389 ULSSJLJICWISBT-UHFFFAOYSA-N 383.517 3.694 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 243786475 QIHDQTVIMREDHE-UHFFFAOYSA-N 388.533 3.833 0 40 GHAB O=C(c1cncnc1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257240911 HVSCZFNLLOVZKZ-OAHLLOKOSA-N 382.851 3.729 0 40 GHAB Cc1c(CN2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cnn1C 257269534 MQJRNWMYJLWASL-JOCHJYFZSA-N 396.922 3.941 0 40 GHAB O=C(Oc1ccc(Cl)cc1)c1cccc(N2C(=O)c3cccnc3C2=O)c1 408722781 WZQGRNRWYGQMIX-UHFFFAOYSA-N 378.771 3.755 0 40 GHAB COc1cc(Br)c(/C=C2/SC(=O)N(C(C)C)C2=O)cc1OC 409019721 XBEPBENEKNVEBA-AWNIVKPZSA-N 386.267 3.911 0 40 GHAB CCOC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O 409045095 FMRAIUQPRKNFGE-GZTJUZNOSA-N 384.457 3.694 0 40 GHAB COc1cc(/C=C\C(N)=O)cc(Br)c1OCc1ccc(C)cc1 409416251 RJMWXXVVRCGRQE-FPLPWBNLSA-N 376.250 3.844 0 40 GHAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc2c(c1)CC(=O)N2 504244819 SMHSFPKARNVUJJ-UHFFFAOYSA-N 377.400 3.617 0 40 GHAB CC(C)c1ccc(CN2CCN([C@H](O)CCOc3ccc(F)cc3)CC2)cc1 575442387 ILRGUDCJQWGVGF-HSZRJFAPSA-N 386.511 3.854 0 40 GHAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)c(Cl)c4)OCC[C@@]3(C2)[C@@H]1NC(=O)CCO 585261202 HNXLZXRTKWHLQO-OCDPFMTESA-N 395.902 3.860 0 40 GHAB CSc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1[C@H]1CCNC1 655476319 ZPOJWGMXKKBIPO-SWLSCSKDSA-N 383.355 3.775 0 40 GHAB CN1CCC[C@H](CNC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)[C@H]1c1cccs1 664214215 WBVQMAARQCXDHX-RDZBXBSQSA-N 399.535 3.908 0 40 GHAB O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC(F)(F)CC1 684517398 HUSMAUYTTVQRQR-GFCCVEGCSA-N 377.357 3.575 0 40 GHAB CC(C)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccsc1 1565519179 CCWXAKWAWYDAQW-UHFFFAOYSA-N 386.395 3.679 0 40 GHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1ccc(Cl)s1 1775968634 IAVHJYLLYJCUFU-SECBINFHSA-N 389.907 3.735 0 40 GHAB FC(F)(F)c1cccc(N2CC[C@@H](Oc3ccncc3Br)C2)n1 1775973987 TXZPULCITBIZOT-SNVBAGLBSA-N 388.187 3.916 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)Nc1cccc(C(F)(F)F)c1 1888982152 HMCIJYGVHWUZNY-QGZVFWFLSA-N 390.365 3.746 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)o1 875864 CLFNYWOHXIHOCW-GASCZTMLSA-N 375.494 3.839 0 40 GHAB O=C(NC[C@@H]1OCCc2ccccc21)c1ccc(NC(=O)c2ccccc2)cc1 3635449 GSXOMGMNSPSGTB-QFIPXVFZSA-N 386.451 3.983 0 40 GHAB Cc1ccc(NC(=S)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c(C)c1 6331072 ASZJMUJTEQVODF-UHFFFAOYSA-N 377.535 3.671 0 40 GHAB CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1OCC(=O)O 6964967 GWMYDBTUWXPAOA-BOPFTXTBSA-N 394.427 3.711 0 40 GHAB CCOC(=O)CS[C@H](C)C(=O)Nc1nc(-c2ccc(CC)cc2)cs1 7506368 VEHUOTDLBVDBCY-GFCCVEGCSA-N 378.519 3.996 0 40 GHAB Cc1nnc(S/C(=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)C(=O)O)o1 7603715 QCFIYDLRMRDQKA-NVNXTCNLSA-N 386.385 3.862 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cccc(C)c2C)n1 8476616 METRRJOTBSVVPD-UHFFFAOYSA-N 398.894 3.971 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 20627673 WZDGOSNOJUUPHM-GDBMZVCRSA-N 388.870 3.970 0 40 GHAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccc(Cl)cc3)cc21 8959326 SNYKIWZIMMIWGZ-UHFFFAOYSA-N 388.851 3.739 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(c2ccc(F)cc2)CC1 11332297 GGLCPNUGDACCPY-UHFFFAOYSA-N 379.435 3.762 0 40 GHAB O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1C[C@H](O)c1ccccc1F 28914903 CZQUABGGMUKVSE-KRWDZBQOSA-N 378.325 3.802 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1 10514376 FFGCZFCCLOJJQZ-UHFFFAOYSA-N 375.368 3.832 0 40 GHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cn2cncn2)cc1 32342247 UZEZVHWNBRNFHU-CQSZACIVSA-N 377.473 3.769 0 40 GHAB O=C(c1cccn1-c1cccnc1Cl)N1CCN(c2ccc(F)cc2)CC1 45796070 VNJBYPIHAASIPI-UHFFFAOYSA-N 384.842 3.627 0 40 GHAB CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccccc1F 11615408 HUKAENQQKSKQII-IBGZPJMESA-N 398.409 3.568 0 40 GHAB C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)CS2 23042307 BXYGQPVNWSPSAS-FNHZYXHNSA-N 390.505 3.547 0 40 GHAB Cc1cc2ncc(C(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)c(C)n2n1 32900449 AIVKYQSFSSOWNP-OAQYLSRUSA-N 394.475 3.635 0 40 GHAB O=C(CNC(=O)c1ccccc1F)NCc1cccc(Oc2ccccc2)c1 32925290 NLYJOUHDDNILGH-UHFFFAOYSA-N 378.403 3.664 0 40 GHAB COc1ccc(Cl)cc1C(=O)OCC(=O)NCC1(c2ccccc2)CCC1 21843517 FDCWSRBALCTXRW-UHFFFAOYSA-N 387.863 3.744 0 40 GHAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccc(Br)s1 29287178 PKERJDXKFVECFM-UHFFFAOYSA-N 379.279 3.885 0 40 GHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)o1 29882821 MXVPEPWJCVPQEY-LMYPLALOSA-N 380.488 3.565 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccccc1N1CCCCC1 15611560 YKXKQVUMFSGCIB-UHFFFAOYSA-N 377.488 3.985 0 40 GHAB O=C(CSCc1ccccc1)N1CCC(CSC2=NCCS2)CC1 90608309 MTQPQGKRGPKCAK-UHFFFAOYSA-N 380.604 3.994 0 40 GHAB CC(C)c1ccc(NC(=S)N2CCCC[C@H]2CCN2CCN(C)CC2)cc1 22935544 CPHGHYSIZGJMIL-NRFANRHFSA-N 388.625 3.999 0 40 GHAB Cn1cc(-c2cccs2)nc1CCNC(=O)c1cc(-c2ccccc2)on1 90606955 FPJDJJBCMFXNNN-UHFFFAOYSA-N 378.457 3.776 0 40 GHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCC(CN2CCCCCC2)CC1 46958150 DCPTZXXAPKCSHV-JOCHJYFZSA-N 398.595 3.811 0 40 GHAB Cc1noc(-c2ccc(C(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)cc2)n1 23004387 VBWNCGGEJVIFFK-FQEVSTJZSA-N 393.443 3.943 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1 7477714 JQZXRBYBQIGUIN-HNNXBMFYSA-N 381.407 3.812 0 40 GHAB Fc1cccc(-c2nnc3sc(-c4cncc(Br)c4)nn23)c1F 12322868 WFMBZLXCFPNNAL-UHFFFAOYSA-N 394.204 3.956 0 40 GHAB CCN(c1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1)S(C)(=O)=O 20036668 MJIZWKBUHVMTGT-FQEVSTJZSA-N 388.533 3.990 0 40 GHAB O=C(c1ccc(CN2CCOCC2)cc1)c1ccc(Br)c(F)c1 43210850 FSPMZBYLUSELBE-UHFFFAOYSA-N 378.241 3.651 0 40 GHAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1cccc(C[S@@](C)=O)c1 60475285 XWHOJLBYICDVBV-WRHNGFHOSA-N 398.572 3.870 0 40 GHAB COC(=O)c1ccc(CN2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 24834252 IPIJNECRJBEFEP-UHFFFAOYSA-N 388.467 3.584 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 12540601 GLGFRECEZCASNI-NRFANRHFSA-N 399.922 3.952 0 40 GHAB Cc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408587451 BXPDMPZFIREIAO-OAQYLSRUSA-N 394.496 3.523 0 40 GHAB Cc1cccc(N2CCN(C(=O)Nc3cccc(Oc4ncccn4)c3)CC2)c1 44245075 AKIQQVGNBHVHHW-UHFFFAOYSA-N 389.459 3.931 0 40 GHAB COc1ccc(-c2cc(C(=O)NCc3ccc(F)c(Cl)c3)n[nH]2)c(OC)c1 57477322 XPSVTBDSYYSFKC-UHFFFAOYSA-N 389.814 3.816 0 40 GHAB COc1cccc(-c2nc(Cn3nnc(-c4ccccc4)n3)cs2)c1OC 57476514 BKAJJGXTTIYBFT-UHFFFAOYSA-N 379.445 3.529 0 40 GHAB CCCOc1ccc(/C=C/C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1OC 1904296 QNYQSQNCTRQFFJ-LOWQCSRCSA-N 389.477 3.839 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc(OCC(=O)N(C)C)c2)C2CC2)o1 44507005 KHZBGKMPQVKPGR-FOIQADDNSA-N 396.487 3.675 0 40 GHAB Cc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)nc(-c2ccncc2)n1 57829108 DWEJHYZDSSYWQR-UHFFFAOYSA-N 379.508 3.512 0 40 GHAB CCN1CCN(C(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)CC1 58148814 NMZMVPZJEIQGEU-UHFFFAOYSA-N 392.478 3.765 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)c1 27974844 VKUBIMOSPVLEJI-UHFFFAOYSA-N 388.272 3.601 0 40 GHAB O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCc2ccccc2C1 3357442 DCXWQTHLZYFPTJ-UHFFFAOYSA-N 395.462 3.643 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)N3CCN(c4nccs4)CC3)ccc2c1 10270102 YBSGYKVBGHQTEC-HNNXBMFYSA-N 381.501 3.757 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)c1ccc(Br)cc1F 10235304 SUUCJAPVUIWNPS-UHFFFAOYSA-N 388.240 3.763 0 40 GHAB CCOC(=O)c1c(NC(=O)c2nnn(-c3ccccc3)c2C)sc(C)c1C 10271988 SAPSCRLBVNDBBL-UHFFFAOYSA-N 384.461 3.683 0 40 GHAB Cc1ccccc1OCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 7688295 MSLPWWFUGCXMOB-UHFFFAOYSA-N 382.441 3.907 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 3334579 FVSPPGULPBBYFD-HXUWFJFHSA-N 386.517 3.525 0 40 GHAB CC(C)[C@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1nnc2ccccn12 58343249 LPGPTHPFGLVWLY-HNNXBMFYSA-N 375.379 3.850 0 40 GHAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H](CC(C)C)c1ccccc1 48224452 ILYWXTPDBNRJIV-FQEVSTJZSA-N 390.487 3.586 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)Cc1csc(-c2ccccc2)n1 3449669 SHAMLFMRDUMPCD-UHFFFAOYSA-N 379.485 3.724 0 40 GHAB COc1ccc(Cl)cc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 3435724 HGSZHJVZBLSHAG-UHFFFAOYSA-N 395.164 3.821 0 40 GHAB O=C(Nc1ccccc1N1CCCC1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 7717387 VHUHLWGGOVQTER-OAHLLOKOSA-N 383.879 3.932 0 40 GHAB CCCN(CC(=O)NCC(=O)Nc1cccc(Cl)c1C)Cc1ccccc1 26295097 FWZRNBLKROPSEB-UHFFFAOYSA-N 387.911 3.615 0 40 GHAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCCc1ccc(C(F)(F)F)cc1 12931257 MNXQPYCISRNWFZ-MRXNPFEDSA-N 390.405 3.955 0 40 GHAB COc1ccccc1CNC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 3520141 JKGSGMFUODXEHR-UHFFFAOYSA-N 394.500 3.562 0 40 GHAB CN(C)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1 7782560 IMSMESLGMPKDAN-IBGZPJMESA-N 393.512 3.794 0 40 GHAB FC(F)(F)c1cccc(NC(=S)NNC(=S)NCc2ccccc2)c1 13496733 UBBHVZBDQKCNPY-UHFFFAOYSA-N 384.452 3.571 0 40 GHAB aggregator Cc1cc(S(N)(=O)=O)cc(NC(=O)c2cccc(Oc3ccccc3)c2)c1C 8010457 HQOSGLFJLRUVND-UHFFFAOYSA-N 396.468 3.995 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)o1 306130995 JUIKGRZFQSJULM-GOSISDBHSA-N 387.443 3.713 0 40 GHAB COc1ccc(-c2nnc(SCCCC(=O)c3ccc(F)cc3)n2N)cc1 6100701 FOFYEOZSNMHGFX-UHFFFAOYSA-N 386.452 3.562 0 40 GHAB CC(C)Cn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccco1 5261940 RWAXMVRXGJXGFU-UHFFFAOYSA-N 391.884 3.973 0 40 GHAB NC(=O)c1ccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)s1 65474888 HHADCURTJXOVBZ-UHFFFAOYSA-N 377.469 3.662 0 40 GHAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(Cc1ccccc1F)C1CC1)C2=O 14245564 ZEQUGDVVFPFCSL-IVZQSRNASA-N 387.499 3.884 0 40 GHAB CC(C)Cn1c2c(c(O)c(C(=O)Nc3nc4ccccc4s3)c1=O)CCCC2 5625077 MLZIAEZAOBRWSA-UHFFFAOYSA-N 397.500 3.951 0 40 GHAB COCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(C)cc1 4816673 VEPDYZRKCHNILC-RBUKOAKNSA-N 396.878 3.954 0 40 GHAB COc1ccc(C)cc1[C@H](C)NCc1ccccc1OCC(=O)N1CCCC1 15184991 KIHXYDXXXKXYST-SFHVURJKSA-N 382.504 3.856 0 40 GHAB COCc1ccccc1CNC(=O)[C@]1(C)CCCCN1C(=O)c1ccccc1 96006693 RFAFXQKOFVUDAP-QHCPKHFHSA-N 380.488 3.534 0 40 GHAB O=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)Nc1ccccc1F 9327563 IIOUGRDVTBYBOB-UHFFFAOYSA-N 396.809 3.594 0 40 GHAB CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc[n+]([O-])c1 9389983 HBLRIJMPXZNNTI-UHFFFAOYSA-N 390.468 3.506 0 40 GHAB CN(CCCn1c(=O)oc2ccccc21)[C@@H](c1cccc(F)c1)c1cnn(C)c1 72291816 YZSAJOAZPHHHSD-NRFANRHFSA-N 394.450 3.579 0 40 GHAB CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 89802191 GKZVMHIMVUWZTL-UHFFFAOYSA-N 395.503 3.701 0 40 GHAB O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cn2cccnc2n1 84372368 MCZRDROHVIVFJC-SFHVURJKSA-N 378.382 3.721 0 40 GHAB Cn1cc(N2CCC[C@@H](N[C@@H](c3ccc(Br)cc3)C3CC3)C2)cn1 95946420 GIBBAZVXLDNFTF-IEBWSBKVSA-N 389.341 3.892 0 40 GHAB O=C1COc2cc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)ccc2N1 24028818 OBIGGMVKXDJKOT-UHFFFAOYSA-N 393.424 3.584 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2SC)ccc1OC 408697654 KNHRCCZFGFUEPL-UHFFFAOYSA-N 380.491 3.566 0 40 GHAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 123302575 PKDGPYGLIZJWKF-LGJHWTSDSA-N 376.537 3.994 0 40 GHAB O=C(Nc1cccc(-c2nc(-c3ccc4c(n3)CCCC4)no2)c1)NC1CC1 546474125 SJOYISQSSNZLQO-UHFFFAOYSA-N 375.432 3.961 0 40 GHAB C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccnc(O)c1 502311755 SPHGLBYXZBAQCZ-OXJNMPFZSA-N 389.455 3.526 0 40 GHAB FC(F)(F)c1ccc(-n2ncc3c2COC[C@@H]3NCc2nccs2)cc1 306124607 BUGBKOSGORHNHO-AWEZNQCLSA-N 380.395 3.709 0 40 GHAB O=C(NCCSCc1ccco1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38852079 CBXBUCADOLGWSE-KRWDZBQOSA-N 376.497 3.680 0 40 GHAB Cc1cccnc1Nc1cccc([C@@H]2CCCN(Cc3cnn(C)c3C)C2)n1 72376035 AANMVEKZGARFOC-GOSISDBHSA-N 376.508 3.950 0 40 GHAB CN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 541816877 KJIYUKSLLOCTNI-QZTJIDSGSA-N 396.409 3.509 0 40 GHAB CCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2n2nnnc12 35288832 IHAPIWZCCQKWKM-UHFFFAOYSA-N 389.459 3.533 0 40 GHAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 72345913 SDMYCXIDYACQBU-SFHVURJKSA-N 388.471 3.754 0 40 GHAB Cc1cc(/C=C2/NC(=O)N=C2O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 35339499 LWKARJNZMFXQIC-MDWZMJQESA-N 385.445 3.753 0 40 GHAB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C(O)=NC2=S)cc1 33558315 KSGTWQKAVVYMIS-LFIBNONCSA-N 396.468 3.938 0 40 GHAB CCc1nc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)sc1C 44702157 WYEOLZUIKUUPKQ-UHFFFAOYSA-N 390.486 3.833 0 40 GHAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccccc2I)cc1 48816857 ZINVVMVESHLRJV-CYBMUJFWSA-N 395.240 3.797 0 40 GHAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(N2CCCC2=O)cc1 223708839 XITSVPYHUNJKFS-UHFFFAOYSA-N 380.488 3.920 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@H](Oc2cccc3cccnc23)C1 225704760 KFIVRKWZMQYIEK-KOEDOTQGSA-N 388.423 3.657 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1 223768004 WVBWUAMCGJAZGY-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 225009408 RCUDAIZNDJNSHJ-SJORKVTESA-N 386.467 3.537 0 40 GHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C 224599356 ICWVCKPPZGOCNL-VQTJNVASSA-N 378.501 3.920 0 40 GHAB COc1ccc(CCC(=O)OC2CN(c3nc4ccc(F)cc4s3)C2)cc1 77200612 BSWKHCKDEPCLOQ-UHFFFAOYSA-N 386.448 3.809 0 40 GHAB O=C(C[C@@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21)NC1CC1 96052977 BOIFNBVFJHWSPP-MRXNPFEDSA-N 381.545 3.833 0 40 GHAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccc(F)c3)CC2)c2ccccc21 96241897 SCSGHUAZEWJBDX-QGZVFWFLSA-N 380.463 3.623 0 40 GHAB O=C(C[C@H]1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21)NC1CCC1 96242168 IJAHLSLWVRRUET-SFHVURJKSA-N 395.547 3.782 0 40 GHAB O=C(NCC1CCOCC1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257226200 FJPSSVMSUDTKJX-UHFFFAOYSA-N 394.515 3.631 0 40 GHAB CN1[C@@H]2CN(C(=O)c3ccnc(Cc4cccc(F)c4)c3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257214004 CKBPFWKNEWIJTL-YCSHWKNNSA-N 393.506 3.899 0 40 GHAB CC(=O)OCc1ccc(CN2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@H]3C2)o1 253494192 WSMQRFJVQZNWBS-SSKFGXFMSA-N 387.451 3.602 0 40 GHAB COc1ccc(OCCNC(=O)N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 650592694 UPXYJPPQALPFSN-FKBYEOEOSA-N 396.487 3.778 0 40 GHAB O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)NC[C@@H]1CCC2(CCCC2)O1 654413448 VCLINRZEUQBSMV-ROUUACIJSA-N 391.581 3.751 0 40 GHAB COc1ccccc1-c1nc(C2CCN(C(=O)[C@@H]3Cc4ccccc43)CC2)no1 682954816 DEOJLKUSKMXDBV-LJQANCHMSA-N 389.455 3.791 0 40 GHAB CCc1ncnc(O[C@@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)c1F 390829354 YAVAKURTZQLUAD-CYBMUJFWSA-N 398.360 3.882 0 40 GHAB Cc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 48302784 NKKSQYKCBCGOGV-UHFFFAOYSA-N 381.867 3.842 0 40 GHAB OC1CCC(N2CNc3c(Br)cc(Br)cc3C2)CC1 67664821 AJOQVCHLLULVGK-UHFFFAOYSA-N 390.119 3.700 0 40 GHAB in-vitro Cc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(C)nc3C)c2)c(C)n1 504699303 FYCDGEMEHWTZLQ-UHFFFAOYSA-N 388.471 3.893 0 40 GHAB CC1(C)C[C@@H]2CN(C(=O)CN3CCCCCC3)CC[C@@H]2N1c1ccc(F)cc1 1615160845 SYHPDOQZYBCOJK-NQIIRXRSSA-N 387.543 3.908 0 40 GHAB COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1 5519361 NJQLRBCDMKZFFI-UHFFFAOYSA-N 379.445 3.554 0 40 GHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccccc2)CC1 14051937 IIYYJHQYEIVPKC-UHFFFAOYSA-N 393.462 3.758 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)c(F)c1 16129689 ACEISYGKBOXRCO-UHFFFAOYSA-N 378.194 3.537 0 40 GHAB CC(C)c1ccc(-c2csc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)O)n2)cc1 17078909 QGYBQIBQXQSKFO-HZMVEIRTSA-N 386.473 3.750 0 40 GHAB COc1ccc(C(=O)N[C@H](N2CCCCCC2)C(Cl)(Cl)Cl)cc1 19315548 FANFPOMQIHZTCK-OAHLLOKOSA-N 379.715 3.997 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)C[C@@H](C)O3)cc1OC 19498084 YTJLLMCLLLIISK-DNVCBOLYSA-N 381.472 3.933 0 40 GHAB c1cc(CN2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)c2cccnc2c1 19693627 BHZQRZMHGHIPBV-HSZRJFAPSA-N 383.455 3.660 0 40 GHAB O=C(Cc1sccc1Br)NC[C@H](CO)c1ccc(Cl)cc1 650344407 LXOFLYBSVQHAPS-LLVKDONJSA-N 388.714 3.599 0 40 GHAB Cc1nc2cc([C@H]3CCN(CC(C)(C)CN4CCC(C)CC4)C3)nn2c(O)c1C 12745605 IZIJZNHQZXJESS-IBGZPJMESA-N 399.583 3.599 0 40 GHAB CCOC(=O)c1sc2nc(CN[C@@H](c3ccccc3)C(C)C)[nH]c(=O)c2c1C 23995473 XRCLBQVGFCDWAV-QGZVFWFLSA-N 399.516 3.957 0 40 GHAB CC1CCN(Cc2ccccc2CNC(=O)c2cccc(C[S@@](C)=O)c2)CC1 32930420 JXIJECYKBNOLJI-NDEPHWFRSA-N 398.572 3.727 0 40 GHAB CC(C)c1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1 36708263 KZTNJJJONSHYTE-UHFFFAOYSA-N 394.523 3.554 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1 255188993 MZJOBBVVAYLITM-INIZCTEOSA-N 378.469 3.741 0 40 GHAB CCOc1cccc2c1O[C@@](C)(CCC(=O)O)[C@@H]1CC[C@@H](CCCN)O[C@@H]21 2037879337 PLRIODZAECKNIP-GEBXKSAFSA-N 377.481 3.676 0 40 GHAB O=C1CC2(CCN(Cc3ccc(Cl)c(F)c3)CC2)Nc2ccccc2CN1 2037980935 NMXRASMDAJEIMF-UHFFFAOYSA-N 387.886 3.946 0 40 GHAB COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCCSc1ccccc1 4017118 WSZOJOQDUPJJIN-LJQANCHMSA-N 398.484 3.659 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3)ns2)c1 4167260 RCRHXJGIIYROQU-UHFFFAOYSA-N 387.486 3.953 0 40 GHAB Cn1ccnc1SCc1cc(=O)c(OC(=O)c2ccc(Cl)cc2)co1 4251347 BPASTLZLTPJTEC-UHFFFAOYSA-N 376.821 3.538 0 40 GHAB Cc1ccc(C)c(CN2C(=O)N(c3cc(C)ccc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 4484228 NNFRPDXKFJGFRU-LEWJYISDSA-N 398.528 3.528 0 40 GHAB CCOCCn1ccc2c(OCC(=O)Nc3cccc(C)c3C)cccc2c1=O 4584351 NCXMEJWTGQIKFB-UHFFFAOYSA-N 394.471 3.672 0 40 GHAB CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(C(C)(C)C)cc2)[nH]c1=O 7421752 CCPZAIUSJOFTLQ-UHFFFAOYSA-N 393.491 3.685 0 40 GHAB CCCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)C3CCCCC3)cc21 9172045 KRYJEODDADWHPM-UHFFFAOYSA-N 394.537 3.923 0 40 GHAB CN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21 9165469 LNVLGYIGTNJFKT-UHFFFAOYSA-N 394.880 3.522 0 40 GHAB Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)COc1ccc2ccccc2c1 9617049 XSWBXXUUTGTKRB-UHFFFAOYSA-N 393.830 3.827 0 40 GHAB CC(C)c1ccc([C@@H]2c3c(-c4cccs4)nnc(O)c3Nc3nnnn32)cc1 10297713 NFCPLQRZIXAESY-QGZVFWFLSA-N 391.460 3.715 0 40 GHAB O=C(NCC1(c2ccc(F)cc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 11988691 BVRHKGRNKSOBRP-UHFFFAOYSA-N 380.341 3.631 0 40 GHAB CO[C@H](CNC(=O)c1cncc(Br)c1)c1cc2ccccc2o1 575415648 MHMJLAPLIMROMK-MRXNPFEDSA-N 375.222 3.708 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)NC2CCN(C(=O)c3ccco3)CC2)ccc1C(C)C 40145284 WIPAHHJKCATRDL-KRWDZBQOSA-N 398.503 3.900 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc4nsnc34)n2C)c1 8298021 AOALXKDPKMSTNJ-UHFFFAOYSA-N 396.501 3.526 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc(C)c1CC 100507457 WNONPYXRQSNKDT-VIRABCJISA-N 391.489 3.647 0 40 GHAB CCn1c(SCC(=O)N2CCC(c3ccccc3)=N2)nnc1-c1ccccc1 4594985 BDPZBBFZMMIIMN-UHFFFAOYSA-N 391.500 3.694 0 40 GHAB O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccccc3F)ccc(=O)n1C2 8300286 RMYUEOKANKQQBJ-LSDHHAIUSA-N 378.403 3.507 0 40 GHAB biogenic,in-vitro COc1ccc(C(=O)NC2CCN(C(=S)Nc3cc(C)cc(C)c3)CC2)cc1 8687033 QYMBOCDVTLQHAK-UHFFFAOYSA-N 397.544 3.903 0 40 GHAB COc1cc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc(OC)c1OC 10542356 DNEOZCZOSVMRIS-UHFFFAOYSA-N 387.476 3.862 0 40 GHAB CCS(=O)(=O)c1ccc2oc(=O)c(/C=C(\O)c3ccc(Cl)cc3)nc2c1 101758037 RAFPVRPRXSPLBH-YBEGLDIGSA-N 391.832 3.691 0 40 GHAB COc1cc(C)c(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1OC 11647878 NIXCMXCUZIVUGZ-UHFFFAOYSA-N 398.488 3.880 0 40 GHAB CC(C)[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 32768968 HCCHJAMSBPERGN-UXHICEINSA-N 377.550 3.982 0 40 GHAB CCCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)o2)c1 9062250 YPWLGDKDSCYELX-UHFFFAOYSA-N 380.404 3.736 0 40 GHAB O=C(CCc1ccccc1O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 11764780 IHYJXWRCWHQNGH-UHFFFAOYSA-N 393.512 3.978 0 40 GHAB CC(=O)N[C@@H](C(=O)Nc1nc2ccc(Br)cc2s1)C1CCCC1 32843220 CLJFDTHOTNPLMZ-CQSZACIVSA-N 396.310 3.692 0 40 GHAB COc1ccccc1NC(=O)Cc1noc(CN2CCC[C@H]2c2ccsc2)n1 46088145 JGVSNPMZHIQGLN-INIZCTEOSA-N 398.488 3.658 0 40 GHAB CCc1ccc(Nc2nnc(SCC(=O)Nc3cc(C)on3)s2)cc1 2617834 ZAJGWBYXHOAGHB-UHFFFAOYSA-N 375.479 3.871 0 40 GHAB COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CCCC2)cc1 12063017 QHFSUPWPRJWVEK-HXUWFJFHSA-N 388.895 3.681 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)sc2c1CCC2 702504 KGICAQAYFSLUEJ-LLVKDONJSA-N 377.437 3.959 0 40 GHAB CCCCN1C(=O)C[C@@H](C(=O)Nc2cccc(C)n2)[C@@H]1c1ccc(OC)cc1 22691227 ADCWGIBOKJOBCL-NQIIRXRSSA-N 381.476 3.727 0 40 GHAB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cc(Cl)sc1Cl 23054617 OAJPWDFLSRKTTN-UHFFFAOYSA-N 383.256 3.956 0 40 GHAB CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(C)cc3)cc12 944122 YNTKZYIEFIDLNE-UHFFFAOYSA-N 385.441 3.994 0 40 GHAB CCCCc1nnc(NC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)s1 23362653 QPGZWZVKFZAYQM-HNNXBMFYSA-N 394.928 3.927 0 40 GHAB CCOC(=O)c1ccc(N(C)Cc2cc(Br)ccc2OC)nc1 24053439 YZBVKNCZXTXOTF-UHFFFAOYSA-N 379.254 3.666 0 40 GHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)/C=C/c1ccc2c(c1)OCO2 12496547 VUIXTBRWDAFYBJ-WQHZJRCTSA-N 376.456 3.571 0 40 GHAB CC(=O)NCCC(=O)Nc1ccccc1C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 34870146 DEHYXRYIDLVBHX-XAUMDUMWSA-N 388.508 3.769 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 113966032 ZZXMVCHJECWBQH-MRXNPFEDSA-N 392.496 3.558 0 40 GHAB O=C(CCCNC(=O)NC1CCCCC1)NCCCn1ccc2ccccc21 12521540 ZUAPFZVFBXTSAU-UHFFFAOYSA-N 384.524 3.560 0 40 GHAB Cc1cccc(OCCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1 3260574 HCQKWDAFUVSGLM-UHFFFAOYSA-N 383.231 3.648 0 40 GHAB Cn1ccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc1=O 28500846 LIQDHRNPDZDNDJ-UHFFFAOYSA-N 384.382 3.830 0 40 GHAB COc1ccccc1N1CCN(C(=O)CCc2nc3ccccc3s2)CC1 3288617 ZNKVRNYXBCPSPL-UHFFFAOYSA-N 381.501 3.586 0 40 GHAB Cc1cccc(N(CC(=O)Nc2c(C)cc(C)cc2C)C2=NC(=O)CS2)c1 12609746 BXIGDRGKMVVNPI-UHFFFAOYSA-N 381.501 3.995 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3344097 KCZXXWHEVXGCKU-UHFFFAOYSA-N 398.422 3.593 0 40 GHAB CCNC(=O)c1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1 12758724 LRXOUSRHUGOOMQ-UHFFFAOYSA-N 381.407 3.802 0 40 GHAB CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2ccc(F)cc2nc1C 12775146 YRKITSUJIPTWHV-UHFFFAOYSA-N 379.435 3.955 0 40 GHAB COc1ccc(C(=O)[C@H](Cc2cc(C(C)=O)ccc2OC)N2CCCC2)cc1 3438200 VDXOMZUQLPEOHI-NRFANRHFSA-N 381.472 3.796 0 40 GHAB Cc1ccc(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 13074337 XMNKQTZQDVDXLU-UHFFFAOYSA-N 398.450 3.520 0 40 GHAB CC(C)c1ccc(NC(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1 13004305 FCAYCFBIPMXPQW-LJQANCHMSA-N 399.516 3.512 0 40 GHAB CCCn1c(SCC(=O)N2CCC(C(=O)O)CC2)nc2cc(Cl)ccc21 13218895 JWVCFNKLXFLUSD-UHFFFAOYSA-N 395.912 3.515 0 40 GHAB COC(=O)c1cc2c(=O)n(CCc3c[nH]c4ccc(Cl)cc34)ccc2nc1C 38784238 WHTJEEPGPQCPSQ-UHFFFAOYSA-N 395.846 3.869 0 40 GHAB O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1ccc2c(c1)CCCC2 4166901 GYLQVMINRIHFSC-UHFFFAOYSA-N 399.541 3.605 0 40 GHAB CCOC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1 408585097 CNUWLEJSKUNJGH-HNNXBMFYSA-N 376.478 3.555 0 40 GHAB CC(C)[C@H](C)NC(=O)COc1nc2ccccc2nc1N(C)C1CCCCC1 6083866 YLZCQYZCAYRXQB-INIZCTEOSA-N 384.524 3.938 0 40 GHAB COc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 17968282 UOAUCDKIAMKNAG-UHFFFAOYSA-N 386.498 3.847 0 40 GHAB COc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2F)cc1 6387856 VLTQKWXHXWTGON-UHFFFAOYSA-N 382.844 3.798 0 40 GHAB Clc1ccc(-c2nc(CN(C[C@H]3CCCO3)C[C@H]3CCCO3)no2)cc1 65491024 HBZWHDOSIQJLPB-IAGOWNOFSA-N 377.872 3.550 0 40 GHAB COC(=O)c1sccc1NC(=O)COc1ccc(Cl)c2cccnc12 5355262 IIUUPKVVDAHDEB-UHFFFAOYSA-N 376.821 3.754 0 40 GHAB O=C(OCCOc1ccc(Br)cc1)c1cc(=O)c2ccccc2o1 6423143 DMZDALJYGMHGJA-UHFFFAOYSA-N 389.201 3.791 0 40 GHAB C[C@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 14280007 XKRPXBAQTWVRTA-UCLAKFIYSA-N 375.538 3.569 0 40 GHAB COc1cccc([C@H](NC(=O)Cc2c(F)cccc2Cl)c2nccn2C)c1 8725015 QAZAJDRDDBFDAL-IBGZPJMESA-N 387.842 3.670 0 40 GHAB COc1ccc(OCc2nnc(SCc3nc4ccccc4o3)n2C)cc1 6879804 HYMULKYGOVSOPD-UHFFFAOYSA-N 382.445 3.836 0 40 GHAB CCN(CC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 6891294 GFFGCOWCOFAEIE-UHFFFAOYSA-N 394.924 3.915 0 40 GHAB CCc1cc2c(CSc3nnc(-c4ccco4)n3C)cc(=O)oc2cc1O 5864285 FOSSINLFBKGLQK-UHFFFAOYSA-N 383.429 3.742 0 40 GHAB COc1cc(CNc2ccc(NC(C)=O)cc2)ccc1OCC(=O)NC(C)(C)C 5943907 DXNZKIOCLIWKLZ-UHFFFAOYSA-N 399.491 3.559 0 40 GHAB COc1ccc(C[C@@H](NC(=O)c2ccc(O)nc2)c2ccc(OC)cc2)cc1 18201884 QMJDZHHDGQHQCT-HXUWFJFHSA-N 378.428 3.518 0 40 GHAB O=C(COC(=O)c1cc(C2CC2)nc2ccccc12)Nc1ccccc1[N+](=O)[O-] 7784673 LDNZGCOJZPTYLS-UHFFFAOYSA-N 391.383 3.816 0 40 GHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCN(c2ccccc2)CC1 7909129 XHMVZXKYZUEXKD-BQYQJAHWSA-N 398.890 3.863 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)OCC(=O)N(C3=CCCCC3)C3CC3)c2C)no1 16695773 SMZRDQBKGKLCLN-UHFFFAOYSA-N 397.475 3.996 0 40 GHAB O=C([C@H]1CCCO1)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 96012486 OIZSMYALCXNHLL-DOTOQJQBSA-N 389.249 3.899 0 40 GHAB Cc1ccc(S(=O)(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)CC(C)C)cc1 9450202 FSTNZVKWJSABCZ-UHFFFAOYSA-N 398.528 3.992 0 40 GHAB O=S(=O)(Cc1cccc(F)c1)N1CCC(CSCc2ccco2)CC1 90608436 NCKOEZGLWHHNRH-UHFFFAOYSA-N 383.510 3.894 0 40 GHAB COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1O 19909485 XEBHBTQVLVOFLA-UHFFFAOYSA-N 385.199 3.756 0 40 GHAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1csc(-c2ccc(OC)cc2)n1 25183624 HFWBCHMNCOOWQP-UHFFFAOYSA-N 394.452 3.808 0 40 GHAB NC(=O)c1cccc(CN2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)c1 84569097 AITZKMGYSIPQTI-IBGZPJMESA-N 388.471 3.605 0 40 GHAB C[C@H](NC(=O)C(C)(C)CN1CCn2ccnc2C1)c1cccc2ccccc12 95465101 PNBHXPVZVGCWPP-KRWDZBQOSA-N 376.504 3.756 0 40 GHAB CN(CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1)c1ccccc1 78878019 JFKUFTJEWSHDDN-DEOSSOPVSA-N 393.531 3.572 0 40 GHAB C[C@H]1C[C@H]1c1cc(NC(=O)c2cccc3c2oc(=O)n3C)n(-c2ccccc2)n1 95975772 RGAQPIFFCBRBIF-XJKSGUPXSA-N 388.427 3.693 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1Br 20142358 YNNAEBMGYMNTNL-UHFFFAOYSA-N 380.194 3.504 0 40 GHAB CCOc1cc(C=O)cc(Br)c1OCc1ccc2c(c1)OCO2 408857608 VHROUUNGXXBFEN-UHFFFAOYSA-N 379.206 3.968 0 40 GHAB CCOc1ccc2cc(C(=O)N3CCc4c(cnn4-c4ccccc4)C3)[nH]c2c1 530743824 YJMQDMNCKNSJGB-UHFFFAOYSA-N 386.455 3.951 0 40 GHAB Cc1sc2nc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)[nH]c(=O)c2c1C 72334900 AFPMGDAXQZDEHE-HNNXBMFYSA-N 399.491 3.689 0 40 GHAB CC[C@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 32193848 GCTPPVLOHZKPGM-AWEZNQCLSA-N 386.945 3.578 0 40 GHAB CC(C)CC(=O)Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1 33268645 GVFUJXYWLIYCNC-UHFFFAOYSA-N 385.851 3.912 0 40 GHAB COc1ccc(CNc2nc3ccccc3c3nc(-c4ccncc4)nn23)cc1 6805467 YPIVVPVUIISOKU-UHFFFAOYSA-N 382.427 3.960 0 40 GHAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)ccc12 72374522 LIAXABVXQWUQBM-GOSISDBHSA-N 381.455 3.824 0 40 GHAB COc1ccc(CN2C[C@@H](c3ccn[nH]3)[C@H](c3ccc(F)cc3)C2)c(OC)c1 72395566 FOVHFKMPQOTODF-VQTJNVASSA-N 381.451 3.949 0 40 GHAB O=C(O)[C@H](c1ccc(F)cc1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 565255477 SIUCSUXQZLTCKW-SJORKVTESA-N 399.340 3.924 0 40 GHAB Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72359014 LUNDTHUOCPUEBN-OAHLLOKOSA-N 381.867 3.848 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1ccnn1C)N(C(=O)c1ccc(C)s1)CC2 72342717 YKMILDRYSLGCQY-FQEVSTJZSA-N 397.500 3.595 0 40 GHAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC)cc1 222576295 XDADQLOGSVQUHW-MRXNPFEDSA-N 386.923 3.998 0 40 GHAB COc1ccc(Cl)c(NS(=O)(=O)c2ccccc2Br)c1 43319109 QPGZQTXSQNOHCQ-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB Cc1ccc(SCC(=O)N2C(=O)[C@H]3CCCCN3C(=O)c3ccccc32)cc1 40386417 UCLOTDUYGZZOKA-LJQANCHMSA-N 394.496 3.655 0 40 GHAB COc1ccc(CNC(=O)COc2ccccc2C(C)(C)C)c(OC)c1OC 222795952 IUSHFKHBAXWBKM-UHFFFAOYSA-N 387.476 3.705 0 40 GHAB COc1ccc([C@H]2[C@@H](C(=O)Nc3nccs3)c3ccccc3C(=O)N2C)cc1 40285652 UGXKLHORMOYWBG-ROUUACIJSA-N 393.468 3.701 0 40 GHAB CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)c1ccc(C)cc1 44846382 FBSAINNKZGVHQH-INIZCTEOSA-N 380.897 3.901 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N3CCC(C)CC3)c2)cc1 224260101 VLDHQDVAJFHRGX-UHFFFAOYSA-N 386.517 3.692 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCCCC2)cc(N2Cc3ccccc3C2)n1 225888236 XKPPKLXOWHEUME-UHFFFAOYSA-N 396.564 3.682 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 225409827 SCDMSRFSKCJEAT-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3cccc(OC)c3)no2)cc1 225825444 LTVRZLHBVWVAKB-AWEZNQCLSA-N 381.432 3.564 0 40 GHAB CCOC(=O)c1cn(Cc2ccncc2)c2ccc(C(F)(F)F)cc2c1=O 199787902 ODSFHDYHDSOUMH-UHFFFAOYSA-N 376.334 3.640 0 40 GHAB CCN(c1ccc(C(=O)NCc2ccc3ccccc3c2)cc1)S(C)(=O)=O 222785205 HTGJCIACTCFIBJ-UHFFFAOYSA-N 382.485 3.556 0 40 GHAB Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225058691 ZJKOZIUFLSSAHX-RTWAWAEBSA-N 391.544 3.895 0 40 GHAB Cc1ccc(CN2CCC3(CC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)s1 96051626 QLQPNPZNOFMORC-IBGZPJMESA-N 390.574 3.780 0 40 GHAB CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)c4cncnc4)CC3)C[C@@H]21 257241191 HXABNMKOZOPDSU-AZUAARDMSA-N 393.487 3.648 0 40 GHAB CC(=O)N1CCC[C@H]2N(C(=O)c3ccc(Cc4ccccc4)nc3)CCC[C@@]21C 257343437 ZTAZOFAWGUEKTI-VWNXMTODSA-N 391.515 3.678 0 40 GHAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4ncccc4C)C3)o2)c1 257292900 QNKLOLNJXLMRGO-GOSISDBHSA-N 391.471 3.997 0 40 GHAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCCCCC1)[C@]1(C2)NC(=O)c2ccccc2O1 253595714 HTMJBABCXCNWJE-OPDBOEGZSA-N 382.504 3.734 0 40 GHAB C[C@@H](c1cccs1)N(C)C(=O)CN1CCO[C@H](c2ccc(Cl)cc2)C1 53371822 OMOUEGQBCHAENS-YOEHRIQHSA-N 378.925 3.994 0 40 GHAB CC(C)CN1CCC(c2nn(CCOc3ccccc3)c3nccnc23)CC1 72395853 TZGRAJDEQPELLF-UHFFFAOYSA-N 379.508 3.741 0 40 GHAB C[C@@H](NC(=O)N1CCC2(CC1)OCCc1ccccc12)[C@H]1COc2ccccc21 574767024 DNLUPPYJSJMGEF-YLJYHZDGSA-N 392.499 3.825 0 40 GHAB CCC(CC)NC(=O)CN(C)CCN(C)C(=O)c1sc2ccccc2c1C 1615612404 YDGBGAAVGGJQFW-UHFFFAOYSA-N 389.565 3.518 0 40 GHAB CCOC[C@H]1CN(C(=O)Nc2cccc3cccc(Br)c23)CCO1 1616042766 RPOSVCFDIPUCGP-CQSZACIVSA-N 393.281 3.872 0 40 GHAB CN(Cc1cccc(O)c1)C(=O)c1cc(Br)c(Br)[nH]1 1629949432 RWOJJGLMVGOYGT-UHFFFAOYSA-N 388.059 3.518 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549167630 QKROOVNYWCCPDM-UHFFFAOYSA-N 398.890 3.608 0 40 GHAB COc1ccccc1NC(=O)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1 5001860 PVOQCJJWDNTHIR-UHFFFAOYSA-N 387.439 3.833 0 40 GHAB COc1ccc(C(=O)CCC(=O)N2CCC(O)(c3ccccc3C)CC2)cc1C 12290301 NUDCKXWGOHQTCD-UHFFFAOYSA-N 395.499 3.785 0 40 GHAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)CCC4)CC1)O2 12330223 XEBGHOWCYQJQCG-GOTSBHOMSA-N 393.527 3.868 0 40 GHAB CCc1ccccc1NC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13715188 KZWCCQZIZUBYDW-GOSISDBHSA-N 378.469 3.571 0 40 GHAB COc1ccc(-n2[nH]c3[nH]c(C)c(Cc4ccccc4Cl)c(=O)c3c2=O)cc1 17080927 OPFBDELRDCGNHN-UHFFFAOYSA-N 395.846 3.568 0 40 GHAB CCCCn1cc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c(C)n1 19502424 VMFQWWOJGILXQH-GHTZIAJQSA-N 380.540 3.644 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cn3ccnc3)o2)c(OC)c1 19552128 RKSCDKUAJHBCOX-SFHVURJKSA-N 381.432 3.519 0 40 GHAB CN(C)c1ccc(C(=O)N2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)cc1 19584795 NJQIRVXTWKLJLK-OAQYLSRUSA-N 379.435 3.654 0 40 GHAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)Cc2cccs2)C1 1889148726 LGEHSDRZPOMFFV-ZDUSSCGKSA-N 383.439 3.832 0 40 GHAB Cc1ccc(-c2noc(-c3nnn(-c4cccc(C(F)(F)F)c4)c3N)n2)cc1 8619028 CBNQZTIYWDWENO-UHFFFAOYSA-N 386.337 3.894 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)c1 10272999 PLIKPMOLJNKXRX-UHFFFAOYSA-N 383.448 3.719 0 40 GHAB CN(C)[C@H](CNS(=O)(=O)c1c(F)cccc1F)c1csc2ccccc12 575620911 MUDUEQGIKRNBOX-MRXNPFEDSA-N 396.484 3.761 0 40 GHAB Cc1cc(C)n([C@@H](CNS(=O)(=O)c2ccccc2Cl)c2ccsc2)n1 575614116 OGZNAAYKYFHQCV-INIZCTEOSA-N 395.937 3.783 0 40 GHAB O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)NC[C@@H]1CCCO1 883889 CBSKPQBRSQBJEA-ZDUSSCGKSA-N 397.422 3.550 0 40 GHAB CCn1nc(C(=O)N2CCC[C@@H]2CCc2ccccc2)c2ccccc2c1=O 55484300 GVOXVWCJTBLSSL-GOSISDBHSA-N 375.472 3.654 0 40 GHAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3CN3CCCC3=O)cs2)o1 25009157 RQROOWGSLQGNMJ-UHFFFAOYSA-N 395.484 3.764 0 40 GHAB Cc1ccccc1C1=N/C(=C\c2ccc(I)cc2)C(=O)O1 4714050 XAIKODLPUZALAA-GDNBJRDFSA-N 389.192 3.944 0 40 GHAB CC(C)(C)NC(=O)[C@@H](OC(=O)c1nsc(Cl)c1Cl)c1ccncc1 4923865 YWVTVERXTDCWLK-NSHDSACASA-N 388.276 3.658 0 40 GHAB Cn1nc(C(=O)N[C@H](c2ccccc2)c2cccs2)c2ccccc2c1=O 7739199 ONOWGWJPFDFOHB-GOSISDBHSA-N 375.453 3.514 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 7881415 KKXVDAMNERIHGF-IEBWSBKVSA-N 379.456 3.779 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 57767162 UBSPGNMBDHVNQQ-UHFFFAOYSA-N 387.457 3.774 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NCC(C)C 8500033 KRUBGJNGWDMQCQ-SFHVURJKSA-N 384.476 3.877 0 40 GHAB COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccc2)C1 44803471 WVMLDCJOIMGYNG-FUHWJXTLSA-N 390.487 3.732 0 40 GHAB Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 11417805 BHLJKWPGNIXHGY-CQSZACIVSA-N 399.878 3.532 0 40 GHAB Cn1c(=O)c2c(-c3cccc(Cl)c3)c(Nc3ccccc3)oc2n(C)c1=O 11614784 GSOBYECMMSXYAZ-UHFFFAOYSA-N 381.819 3.894 0 40 GHAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c(Cl)c1 12797871 CBXYUMSVNYJKRM-UHFFFAOYSA-N 392.908 3.921 0 40 GHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cc(OC)cc(OC)c1 3486482 PPWIKMSGCLHPIE-UHFFFAOYSA-N 390.867 3.766 0 40 GHAB COc1ccc2c(COC(=O)c3ccc(SC)cc3OC)cc(=O)oc2c1 3437540 YBWVLMPKAPSUER-UHFFFAOYSA-N 386.425 3.889 0 40 GHAB O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)NCc1cccs1 3413576 RTMSQTKXRVUXIB-UHFFFAOYSA-N 383.347 3.569 0 40 GHAB C[C@H](C(=O)NCc1csc(-c2ccccc2)n1)n1cc(Br)cn1 28244083 SQGZOHAFBANHLA-LLVKDONJSA-N 391.294 3.647 0 40 GHAB CC(C)CN(CC(C)C)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 3559260 PVKZDOWSMKDNHA-UHFFFAOYSA-N 397.515 3.606 0 40 GHAB Cc1cc(C)c(OCC(=O)N2N=C3CC[C@H](C)C[C@H]3[C@]2(O)C(F)(F)F)c(C)c1 20034290 WSDOIVIDDHNPSL-CQOVVYFZSA-N 398.425 3.876 0 40 GHAB COc1cc(OC)c(OC)cc1/C=C1\SC(=O)N(CCc2ccccc2)C1=O 409008033 UWVIYXBELCXPAM-UNOMPAQXSA-N 399.468 3.991 0 40 GHAB COc1ccc(Nc2nn3c(=O)c(-c4ccc(Cl)cc4)nnc3s2)cc1 27526337 QICVLSCZQSXZAA-UHFFFAOYSA-N 385.836 3.619 0 40 GHAB CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)N2CCC[C@@H](C)C2)cc1 9479037 ZUKQOXGJCPYHPE-MRXNPFEDSA-N 397.475 3.639 0 40 GHAB O=C(NCc1ccccc1)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 49401798 JSFPHHCBHFCVFA-UHFFFAOYSA-N 388.471 3.802 0 40 GHAB COCc1c(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)oc2ccccc12 5198998 PAAMRPNRXOQNST-UHFFFAOYSA-N 397.431 3.686 0 40 GHAB CCOC(=O)c1ccc(OCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 4384750 AFAHAHCSEFTTPP-UHFFFAOYSA-N 384.388 3.510 0 40 GHAB CCCCCCc1c(C)c2cc(Cl)c(OCc3nn[nH]n3)cc2oc1=O 13804354 JSMUDRHEPVSLLT-UHFFFAOYSA-N 376.844 3.970 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 5298903 NSZKOUILQKWBLY-CYBMUJFWSA-N 384.910 3.502 0 40 GHAB CSCC[C@H](NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C(=O)O 5304691 CJUDZLYETVVJRZ-HNNXBMFYSA-N 385.445 3.823 0 40 GHAB O=C(Nc1ccccc1)C1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 14115144 QNZOXAUHPIVGCX-LJQANCHMSA-N 384.863 3.521 0 40 GHAB O=C(Nc1cccnc1N1CCOCC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 65825266 LWIUWNKUZFYYEU-CABCVRRESA-N 391.393 3.679 0 40 GHAB CC(=O)c1ccccc1NC(=O)CSc1nnc2sc3ccccc3n12 5559574 WFOSTVDPNSQJIH-UHFFFAOYSA-N 382.470 3.877 0 40 GHAB CC(C)C[C@@H]1OCC(C)(C)n2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c21 6660699 XNPAZRXQQHXLFY-INIZCTEOSA-N 395.503 3.558 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC3)ccc2Cl)c(C)c1 408547567 ZTULHBPRUFTBLF-UHFFFAOYSA-N 378.881 3.650 0 40 GHAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCCCC3)c2)cc1 4879037 FEZZLUAAYPKXAN-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@H](Nc4ccccc4)C3)cc(Cl)c2O1 84718077 ZMJATNZXZHJBLO-BBRMVZONSA-N 392.908 3.539 0 40 GHAB O=C(CCC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc2c(c1)CCC2 95980245 UQOILLVDNNSZPO-LJQANCHMSA-N 392.503 3.540 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)/N=c3\[nH]c4cc(Cl)ccc4n3C)o2)cc1 84174699 VKOBTIAZEOQFAD-UHFFFAOYSA-N 395.850 3.578 0 40 GHAB CS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 7653776 XXUHFPUHKWIBBE-UHFFFAOYSA-N 388.670 3.758 0 40 GHAB C[C@H]1CCc2c(sc3ncnc(N(C)Cc4nc5ccccc5c(=O)[nH]4)c23)C1 7738538 XZLRNJKLNHSMHD-LBPRGKRZSA-N 391.500 3.689 0 40 GHAB Cc1c(/C=C/C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cnn1C 97021871 WUGMLLRYWGUBTN-JXMROGBWSA-N 395.850 3.681 0 40 GHAB CC(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)c1 8259356 LBAQVDOEQWZJTF-JTQLQIEISA-N 382.388 3.716 0 40 GHAB O=C(N1CCN(c2cccc(Cl)c2)CC1)C1(c2ccccc2)CCOCC1 16985293 JZDOFPPKGZHZDJ-UHFFFAOYSA-N 384.907 3.737 0 40 GHAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)c(N)c2)cc1 8498015 UYAZVUAYJIPPNO-LBPRGKRZSA-N 388.851 3.945 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)c1 9237885 KSVKNHBQJWQSSO-ZWKOTPCHSA-N 379.489 3.601 0 40 GHAB O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cnn(-c2ccccc2)c1Br 96007112 QJQFDNIRYGZXLQ-WBVHZDCISA-N 382.261 3.921 0 40 GHAB CC(=O)c1c(C)cc(C)c(COC(=O)c2cc(S(C)(=O)=O)ccc2C)c1C 24787928 BYMHIIKLNRDTCE-UHFFFAOYSA-N 388.485 3.883 0 40 GHAB CCCCCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 26116494 LEFVBBRFFAIHPC-UHFFFAOYSA-N 384.567 3.503 0 40 GHAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2C)c1 20152706 NIVVAEPPAQTJME-UHFFFAOYSA-N 386.473 3.999 0 40 GHAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC)c(OCC)c2)NC(=S)N1 408606633 JILAKRMNTMNDHX-GOSISDBHSA-N 392.521 3.620 0 40 GHAB CCCc1nnsc1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 36709414 BUETZXKKLFVNNX-UHFFFAOYSA-N 398.469 3.973 0 40 GHAB CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 33785186 FBZPKPSHGLEZHS-UHFFFAOYSA-N 394.924 3.712 0 40 GHAB O=C(CNC(=O)c1ccc(F)cc1F)NCc1cccc(Oc2ccccc2)c1 32925284 KURSJFXMFAAMDH-UHFFFAOYSA-N 396.393 3.803 0 40 GHAB CN(C)c1cccc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 70635413 YXFNXMRPJMMHTQ-SFHVURJKSA-N 378.394 3.985 0 40 GHAB CCC[C@H](C)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)O 217617411 UHDYMTZXTYDDIL-HNNXBMFYSA-N 390.505 3.506 0 40 GHAB COc1ccccc1C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 32930180 LSIXZHUKIAZYST-UHFFFAOYSA-N 379.382 3.508 0 40 GHAB COCc1cc(C)nc2sc(-c3nc(-c4ccc5c(c4)OCO5)no3)c(N)c12 78546468 TYLXBLWXMQNWSC-UHFFFAOYSA-N 396.428 3.779 0 40 GHAB Cc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2cccnc2N)C1 72363030 XEFPWKLFRREWHN-MRXNPFEDSA-N 389.459 3.574 0 40 GHAB COc1cccc(Cc2cccc([C@@H]3CCCN3C(=O)Cc3ccncc3)n2)c1 72357926 SVYXYYUOJWKSQX-QHCPKHFHSA-N 387.483 3.982 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 222921141 AXEDLINSDXEZJN-FQEVSTJZSA-N 384.545 3.782 0 40 GHAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2ccc(C(F)(F)F)cc2)c1=O 225969367 OZQFFYVGPBGSKJ-UHFFFAOYSA-N 396.365 3.657 0 40 GHAB CC(=O)c1cccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)c1 225740765 ACOIQVGJGJXTLJ-UHFFFAOYSA-N 399.244 3.605 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1 222912460 SNYDUCQQZPUSRC-INIZCTEOSA-N 386.467 3.524 0 40 GHAB COc1ccc(SCCCNC(=S)Nc2ccc3c(c2)OCO3)cc1 225802829 NWIGLFVTPVGYBU-UHFFFAOYSA-N 376.503 3.893 0 40 GHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccccc1OC 225140514 GRDWTUVEVGMLCF-HXUWFJFHSA-N 383.488 3.927 0 40 GHAB O=C(CSCc1ccccc1)NCCc1nc(C2CC2)cc(C(F)(F)F)n1 77101152 IZSQDGSXPBONSF-UHFFFAOYSA-N 395.450 3.965 0 40 GHAB COC[C@@H](CCO)NC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 573610939 SDCKNUCORIPQIE-OAHLLOKOSA-N 399.422 3.685 0 40 GHAB COc1cc(CN(C)C(=O)c2cc(-c3ccccc3)on2)cc(OC)c1OC 225897786 UHLRPJAPTYXLHG-UHFFFAOYSA-N 382.416 3.640 0 40 GHAB O=C(N[C@@H]1CCN(C2CC2)C1)c1cn(-c2ccccc2)nc1-c1cccs1 48274549 YGUWGELONZWOBR-OAHLLOKOSA-N 378.501 3.567 0 40 GHAB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cn1 225877787 WEKCULAGWAFFDG-UHFFFAOYSA-N 384.476 3.956 0 40 GHAB CS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1ccc(-c2ccccc2)cc1 96519708 QEJSOYSWGAGFPY-HUUCEWRRSA-N 389.698 3.719 0 40 GHAB Cc1ncoc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N[C@@H]2Cc1ccccc1 257206385 BDDUEUWJWFPZQT-MRXSCTINSA-N 379.504 3.730 0 40 GHAB Cc1c(CN2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cnn1C 257203524 AQLLTUNLEKFKMX-JOCHJYFZSA-N 396.922 3.941 0 40 GHAB O=C(CSc1nc2ccccc2s1)N[C@H](Cn1nccn1)c1ccccc1 253472641 OBDJKBSYIHIJRJ-MRXNPFEDSA-N 395.513 3.538 0 40 GHAB COc1ccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)cc1OC 260735379 HALWYUIDIKZBRZ-OAHLLOKOSA-N 385.533 3.832 0 40 GHAB CC[C@H](NC(=O)c1cccnc1-c1cnn(C)c1)c1nc(C(F)(F)F)cs1 611743496 VZAHMMOFFQEHOM-LBPRGKRZSA-N 395.410 3.839 0 40 GHAB O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N[C@@H]1CO[C@H](C2CC2)C1 626547535 KVXAIRXCIIWVFW-GWCFXTLKSA-N 380.313 3.996 0 40 GHAB O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)NC[C@H]1CCC2(CCCC2)O1 654413449 VCLINRZEUQBSMV-ZWKOTPCHSA-N 391.581 3.751 0 40 GHAB O=C(CN1CC(c2nc(-c3ccco3)no2)C1)Nc1ccc(Cl)c(Cl)c1 96024275 HHXCOEFREIQLRA-UHFFFAOYSA-N 393.230 3.674 0 40 GHAB CO[C@](C)(CNC(=O)C(=O)Nc1cccc(Cl)c1C)c1cccc(Cl)c1 96393141 AVXIKQQRLJMZEB-LJQANCHMSA-N 395.286 3.918 0 40 GHAB O=C(Nc1nnc2ccccn12)c1csc(COc2ccc(Cl)cc2)n1 30691721 DWQHKMOSPZMWEP-UHFFFAOYSA-N 385.836 3.671 0 40 GHAB O[C@@H](c1ccccn1)c1cccc(F)c1N1CCN(Cc2ccccc2)CC1 72340700 GZEYXVPPMXCOEJ-HSZRJFAPSA-N 377.463 3.625 0 40 GHAB CCCc1ccc(C(=O)N2C[C@@H]3[C@@H](CC[C@@]34NC(=O)c3cc(C)ccc3N4)C2)o1 72327516 ORAPJUQUHFVSJM-TUVUNVSASA-N 393.487 3.574 0 40 GHAB Cc1ccc2c(c1Br)CN(C(=O)Nc1nc3c(s1)COCC3)C2 666107342 IUPMMDJNJDYBPD-UHFFFAOYSA-N 394.294 3.834 0 40 GHAB C[C@H]1CCC[C@H](C)N1C[C@H](O)COc1c(F)cc(Br)cc1F 5258755 JMYQPHVQYYQNOG-GVXVVHGQSA-N 378.257 3.730 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)Cc1c[nH]c2ccccc12 5399812 XKJQMFWZWPHMBI-GFCCVEGCSA-N 386.835 3.943 0 40 GHAB COc1ccccc1-c1nnc(SC[C@H]2CCOCO2)n1-c1ccccc1 5736456 MFDONDXMMAFZHM-MRXNPFEDSA-N 383.473 3.798 0 40 GHAB O=C(CCc1ccccc1)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O 12145206 QIKCNSQAOSRHEC-GOSISDBHSA-N 393.512 3.596 0 40 GHAB CCc1[nH]c2ccc(C(=O)NC[C@H](c3ccc4c(c3)OCO4)N(C)C)cc2c1C 12203711 HISSEDXBQZJDRK-HXUWFJFHSA-N 393.487 3.800 0 40 GHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCCCC4)nc3)c12 12852609 OPRFTKYTAICEIS-UHFFFAOYSA-N 390.491 3.792 0 40 GHAB O=C(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 13073433 JGJCNSRYPKBHSP-BUHFOSPRSA-N 384.501 3.903 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712011 SMJGDTLXAAWMNR-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB CC[C@H](C(=O)NCCC1=CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712401 LSQQBWJWILDOLC-GOSISDBHSA-N 398.956 3.891 0 40 GHAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(N2CCCC2=O)cc1 14214552 UYZMHVNCQWXFHQ-UHFFFAOYSA-N 385.423 3.566 0 40 GHAB COC(=O)c1ccc(OC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 15580309 STNSNMWIKRPDNE-UHFFFAOYSA-N 386.791 3.715 0 40 GHAB Cc1cc(C)cc(C(=O)NCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1 15694767 TUYDUQOKQCNKAP-CQSZACIVSA-N 378.394 3.929 0 40 GHAB O[C@H]1CC2(CCN(C[C@H](O)c3c[nH]c4ccc(F)cc34)CC2)Oc2ccccc21 19374900 QUDNUGSXUNYYOT-SFTDATJTSA-N 396.462 3.691 0 40 GHAB COc1ccc([C@@H]2CCCN2C[C@@H](O)c2cc(F)ccc2OC)c(OC)c1 19552140 JUKSONIFRMKDHP-RBUKOAKNSA-N 375.440 3.722 0 40 GHAB Cc1c(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cnn1C 19687408 MIYIBCJQQWGUQS-HXUWFJFHSA-N 394.498 3.728 0 40 GHAB NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccccc2)CC1 19700336 MIHVROHFLJJYQG-UHFFFAOYSA-N 399.494 3.699 0 40 GHAB COc1cccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1OC(C)C 980915 UJUSHDZCAOUJEG-GZTJUZNOSA-N 384.407 3.714 0 40 GHAB CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccs2)sc(C)c1C 2616810 MZABGICYCCHPOA-BQYQJAHWSA-N 393.486 3.798 0 40 GHAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)c1 3290612 SEPLWLICYNRADJ-UHFFFAOYSA-N 384.413 3.808 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(C(F)(F)F)nc1 26252347 UPRRGSDXAOBVFR-GFCCVEGCSA-N 375.354 3.514 0 40 GHAB C[C@@H]1CCc2sc(C(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)cc2C1 41815228 CLVOOFPFXKRBHU-DGCLKSJQSA-N 375.519 3.573 0 40 GHAB O=S(=O)(N[C@@H](c1cccs1)C1CCOCC1)c1cccc2cccnc12 1565523809 WXNLNUUYCKLPHH-GOSISDBHSA-N 388.514 3.743 0 40 GHAB O=c1[nH]c(-c2ccc3c(c2)OCO3)nc2c1sc(=S)n2Cc1ccccc1 4939095 FWOACRFFZNUMIZ-UHFFFAOYSA-N 395.465 3.960 0 40 GHAB CS(=O)(=O)N1CCCc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21 5375408 XDFRMDZAMWZPQN-UHFFFAOYSA-N 398.406 3.670 0 40 GHAB CCOc1ccc(N2C[C@H](CNC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 9039451 MGRJYDOOEQJGJO-AWEZNQCLSA-N 387.867 3.913 0 40 GHAB Cc1ccc(-n2nnnc2CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1C 9571323 IBKIUDDMEKMYLQ-UHFFFAOYSA-N 378.480 3.898 0 40 GHAB CCCN1CCCc2cc(CCNC(=O)COc3ccc(OC)cc3)ccc21 11612978 FAWKYSLJUDBTRV-UHFFFAOYSA-N 382.504 3.596 0 40 GHAB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccc(Cl)c2)NC(=S)N1 17243071 UQGCHFQFJOZBGR-INIZCTEOSA-N 375.856 3.911 0 40 GHAB COc1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc1 1775975616 KSZWLIBFDHWZEC-ROUUACIJSA-N 396.535 3.912 0 40 GHAB CCCCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccc(OC)cc3)s2)C1 36705255 PUICCOVQPAAYSL-OAHLLOKOSA-N 395.550 3.523 0 40 GHAB O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]1c1cccc(F)c1 15671032 UOLHZWCHIBNLKE-OAHLLOKOSA-N 389.228 3.608 0 40 GHAB CC(C)N(C(=O)CN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CCCCC1 40066980 OTNJVPGBKPZLRX-KRWDZBQOSA-N 394.581 3.653 0 40 GHAB Cc1c(-c2ccccc2)oc2c(C(=O)O[C@H]3CCCCNC3=O)cccc2c1=O 40025108 XWXNKADZPALETJ-SFHVURJKSA-N 391.423 3.594 0 40 GHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccccc1OC(F)F 40159545 MQRVXTLKNRYGNP-UHFFFAOYSA-N 392.402 3.788 0 40 GHAB Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 40135098 AWYQDGSZQFJWQC-UHFFFAOYSA-N 399.443 3.984 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccnc2N2CCCCC2)C1 40132054 HZLDMUCGMLKYHH-SFHVURJKSA-N 392.503 3.563 0 40 GHAB O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 101342496 VCGITXLYQZELCE-UKRRQHHQSA-N 395.629 3.939 0 40 GHAB Cc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)s1 21336941 CULBWRSLRHBOAK-KRWDZBQOSA-N 386.517 3.933 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)ccc2OCC)C1=O 1006172 UOJRUXQWGRWFQC-GMROUXNLSA-N 383.853 3.727 0 40 GHAB CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 1250945 VFTLZBGWLQIIJQ-SFHVURJKSA-N 383.448 3.989 0 40 GHAB COc1ccc(C)cc1NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 917204 JIYSRTYYFHXBIZ-UHFFFAOYSA-N 393.472 3.564 0 40 GHAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cn1nnc2ccccc21 1353514 IFAGBQSDEPZAGF-UHFFFAOYSA-N 389.390 3.608 0 40 GHAB COc1cccc(C[C@@H](O)COn2c(Cc3ccccc3)nc3ccccc32)c1 1469624 ZUJWIABSONOQSO-HXUWFJFHSA-N 388.467 3.668 0 40 GHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)NCc1ccccc1 25103158 PGRAEDJHRDRDIV-UHFFFAOYSA-N 384.867 3.698 0 40 GHAB CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NC(=O)c1cnn(C(C)(C)C)c1 56378193 JFKZSEZIRJCZQN-HZPDHXFCSA-N 378.517 3.594 0 40 GHAB COc1cc(Cl)c(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1OC 43939099 OGEZEZYSHPEBFY-ZDUSSCGKSA-N 383.901 3.843 0 40 GHAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C[C@H](C)O1 26361648 RFSRHNFXFWVGHZ-HOTGVXAUSA-N 392.499 3.516 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)c(C)c1 7928011 HNPVPZXOSFYECU-GOSISDBHSA-N 394.471 3.860 0 40 GHAB COCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)c(C)c2)n1 8476972 UZPWDQUOZBHCFT-UHFFFAOYSA-N 384.867 3.581 0 40 GHAB COCCOc1ccc(NC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cn1 57507594 OXUFUYRNIQYFLW-CYBMUJFWSA-N 386.477 3.941 0 40 GHAB CN(Cc1nccn1CC(F)(F)F)C(=O)c1ccc(Oc2cccnc2)cc1 57792866 FFZXQFRIIWSCPD-UHFFFAOYSA-N 390.365 3.905 0 40 GHAB O=C1C[C@@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1ccccc1Cl 36125688 VLZHTPXMRTZMTC-LJQANCHMSA-N 379.847 3.512 0 40 GHAB biogenic O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@H]1CCOc2ccccc21 58369965 CPWCTDGWOSUXFX-ZDUSSCGKSA-N 398.768 3.937 0 40 GHAB Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 55150975 JSHMIHINSGOWJM-IAGOWNOFSA-N 378.428 3.853 0 40 GHAB O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCN(c2ccc(F)cc2)CC1 26781558 QWQGZRSBKDTGKY-QGZVFWFLSA-N 399.293 3.694 0 40 GHAB CCCCCCn1c(N)c(C(=O)NCCCOC)c2nc3ccccc3nc21 2285057 IZNWTWJOHTVNBL-UHFFFAOYSA-N 383.496 3.513 0 40 GHAB Cc1cccc(CC(=O)N[C@@H](C)c2cc(O)n3nc(-c4cccs4)cc3n2)c1 100769325 GFNYZGYNKRMBEX-AWEZNQCLSA-N 392.484 3.892 0 40 GHAB O=C(Nc1cccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C1CC1 10668495 RHLFGKRPDIZASG-UHFFFAOYSA-N 398.406 3.532 0 40 GHAB COc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 28477823 AEVXEFCTTFQFGG-LBPRGKRZSA-N 395.415 3.601 0 40 GHAB O=C1C[C@@H](N2CCc3c([nH]c4ccc(F)cc34)C2)C(=O)N1c1cccc(Cl)c1 101449145 SBLZTLNFDIMPQO-LJQANCHMSA-N 397.837 3.651 0 40 GHAB Cc1cc(C(=O)Nc2c(C)nn(C)c2C)c2c(C)nn(Cc3ccccc3)c2n1 36616920 ZKHGLUQBZNROGK-UHFFFAOYSA-N 388.475 3.699 0 40 GHAB Cc1ccc([C@@](C)(O)CN[C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)o1 95968519 LWISYEWKPSQOJC-IERDGZPVSA-N 391.533 3.863 0 40 GHAB CCCSc1ncc(CN2[C@@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)cn1 100753458 VWUNZJYRZHYNGD-NVXWUHKLSA-N 380.521 3.592 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)c1cn(-c2ccccc2C(F)(F)F)nn1 45933142 YMVYOMYXNAFRQS-CQSZACIVSA-N 388.349 3.540 0 40 GHAB C[C@H](NC(=O)[C@@H](C)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 12743702 XGSGUGPHXIYIAM-RZQQEMMASA-N 398.478 4.000 0 40 GHAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCO[C@@H]2CCCC[C@@H]21 46491067 RGGCYJCWPLZXTJ-DLBZAZTESA-N 389.883 3.883 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3Cc4ccc(C)cc4S3)C2)nc1 46819701 UQONUDWFYFJHCO-IEBWSBKVSA-N 395.528 3.593 0 40 GHAB CCCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)C1=CCCC1 12567561 CUIMTRGPTNOYAL-UHFFFAOYSA-N 387.461 3.864 0 40 GHAB CCCn1c(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)nc2ccccc21 12535067 PWQDDBPPSOUJRV-UHFFFAOYSA-N 385.489 3.557 0 40 GHAB COc1ccc(C)cc1NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 12822416 ZCNBTCJJKIDCRF-UHFFFAOYSA-N 397.500 3.752 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)c1cccc(Br)c1 20029835 UHHVKRFKXRFEOO-GFCCVEGCSA-N 384.295 3.806 0 40 GHAB CC(C)CN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 12811390 DQWJMRKPQKPXDT-QDLOVBKTSA-N 390.332 3.678 0 40 GHAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)n1Cc1ccccc1 3411441 UZEZAXHBIDRIDU-GFCCVEGCSA-N 387.896 3.803 0 40 GHAB COc1ccc2c(COC(=O)CCC(=O)c3ccc(C)cc3)cc(=O)oc2c1 3421546 OBZKBKROYKPCJG-UHFFFAOYSA-N 380.396 3.816 0 40 GHAB CCOc1ccccc1C(=O)NCC(=O)N[C@@H](C)c1ccc2ccccc2c1 13019388 ULVPNYVNNNJUTP-INIZCTEOSA-N 376.456 3.846 0 40 GHAB CN(C(=S)NC[C@H]1CCCO1)[C@]1(c2ccccc2Cl)CCCCC1=O 5127206 NPBKRIYVMRTXJL-KUHUBIRLSA-N 380.941 3.664 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 6298907 WXMJQYDLFYIBAG-WBMJQRKESA-N 377.282 3.911 0 40 GHAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CN(Cc3ccccc3F)C[C@H]21 306137117 QLYNBRQTCOZIBL-SIKLNZKXSA-N 394.471 3.643 0 40 GHAB COc1ccc(C)cc1CN(C)C(=O)Cc1csc(NC(=O)c2ccco2)n1 14085494 OTKJBEWCPHUBPF-UHFFFAOYSA-N 399.472 3.507 0 40 GHAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccccc1C(F)(F)F 5399261 NEPRHLGTAVNOLT-UHFFFAOYSA-N 391.324 3.707 0 40 GHAB COc1cc(Br)c(CC(=O)N[C@H](C)c2cccs2)cc1OC 14119440 OZIXUETZKXAKDQ-SNVBAGLBSA-N 384.295 3.948 0 40 GHAB Cc1cccc(N2CCN(C(=O)CCn3c(C)nc4ccccc43)CC2)c1C 5427283 RRMNNLZGIMTSRT-UHFFFAOYSA-N 376.504 3.700 0 40 GHAB Cn1ccnc1SCC(=O)NCC1(c2cccc(Br)c2)CCC1 65876330 AQDLOBDGBTUTKT-UHFFFAOYSA-N 394.338 3.513 0 40 GHAB COc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc1 5655785 MLPXCLOESISKEG-UHFFFAOYSA-N 384.215 3.563 0 40 GHAB Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)N(CCO)C3=O)c(O)c1 6743215 JBGHWAWAYPATHS-FQEVSTJZSA-N 397.862 3.590 0 40 GHAB NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncnc2scc(-c3ccccc3)c12 110572268 WDBLGKMKELIUNG-PVAVHDDUSA-N 378.501 3.981 0 40 GHAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 15016747 SXRFZHMEWBFKOK-QGZVFWFLSA-N 384.823 3.962 0 40 GHAB COc1ccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)cc1OC 15017356 FRTBAASDFNWANW-AWEZNQCLSA-N 376.250 3.769 0 40 GHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)O)cc1OC 4976673 AAQQOHHSCHBSLY-GOSISDBHSA-N 396.443 3.636 0 40 GHAB Cc1c(-c2nsc(NC(=O)c3ccccc3)n2)nnn1-c1cccc(Cl)c1 6914342 ULVHYIOMWXCJPO-UHFFFAOYSA-N 396.863 4.000 0 40 GHAB Cc1ccccc1Cn1cnc2c(cnn2-c2ccc(Br)cc2)c1=O 67257899 PGFYGCNZKIBEDG-UHFFFAOYSA-N 395.260 3.701 0 40 GHAB Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1C 15432645 ZEAUOXVSZULIRZ-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB OCCn1c(CSc2nnc(C3CC3)n2C2CC2)nc2ccc(Cl)cc21 7320305 VVDVGBYDUACMHD-UHFFFAOYSA-N 389.912 3.778 0 40 GHAB Cc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2s1 7505271 XXVVKPPWFAZTDF-UHFFFAOYSA-N 376.459 3.567 0 40 GHAB O=C(CN1CCC[C@H]2CCCC[C@@H]21)Nc1ccccc1C(=O)NC1CCCC1 7587939 RHUHXIQOBMIQAH-UTKZUKDTSA-N 383.536 3.952 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 7688641 IKKMIFIPJGAELT-UHFFFAOYSA-N 394.424 3.744 0 40 GHAB Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=N[C@H]2[C@H]1CC=CCC1 9698400 QPTNASMQKBVINM-MAUKXSAKSA-N 383.883 3.631 0 40 GHAB O=C(CCN1C(=O)Cc2ccccc2C1=O)NC(c1ccccc1)c1ccccc1 8185295 JANYTLKJJMCKMW-UHFFFAOYSA-N 398.462 3.507 0 40 GHAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(c4ccccc4O)CC3)cc12 9616791 GILHIILCHBBPKU-UHFFFAOYSA-N 398.532 3.730 0 40 GHAB CC(C)Oc1ccc(C(=O)NCCCNC(=O)c2cc3ccccc3[nH]2)cc1 8404329 RZCQMYBYHHOUOP-UHFFFAOYSA-N 379.460 3.505 0 40 GHAB COCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 23224243 DFQFAKMCMQPRMD-UHFFFAOYSA-N 381.259 3.851 0 40 GHAB COc1cc(CN2CCC[C@@H]([C@@H](C)O)C2)cc(Br)c1OC(F)F 96003591 VWSKEIQOCBJHMX-ZYHUDNBSSA-N 394.256 3.652 0 40 GHAB O=C(NCc1ccc2c(c1)OCCO2)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 84502038 HCMVCEYYQONBJN-GJZGRUSLSA-N 377.362 3.897 0 40 GHAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)COc1ccc(C(C)(C)C)cc1 84686487 USJIFVNSFOOLMC-HNAYVOBHSA-N 380.488 3.757 0 40 GHAB COc1ccccc1CC(C)(C)C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 95424107 NKQOWYZWDTXNDZ-UHFFFAOYSA-N 395.499 3.909 0 40 GHAB Cc1sc2ccccc2c1S(=O)(=O)N1CCCC[C@H]1[C@H](O)C(F)(F)F 95442448 DYMAAIZONQBRAE-WFASDCNBSA-N 393.452 3.676 0 40 GHAB Cc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccccn5)CCN4C)nnn3c2)cc1 306131370 KCRBATCTEKGJOK-QHCPKHFHSA-N 398.514 3.588 0 40 GHAB O=C(Oc1ccc(Cl)cc1)c1ccc2nc(N3C(=O)CCC3=O)sc2c1 408975075 JPQFWJOGSJWCMV-UHFFFAOYSA-N 386.816 3.822 0 40 GHAB CCn1nc2c(c(C(F)F)cc(=O)n2CCC(=O)N(C)C2CCCCC2)c1C 36621422 YXSZFEJCOPMRFL-UHFFFAOYSA-N 394.466 3.645 0 40 GHAB CC(=O)N1CCC(N2CCC[C@@H]2c2cccc(Cc3ccc(F)cc3)n2)CC1 72358188 WCYFBJSCFZCCCG-HSZRJFAPSA-N 381.495 3.959 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2nc3ccccc3s2)CC1 36638257 COORRQWTERIEHU-UHFFFAOYSA-N 381.457 3.880 0 40 GHAB Cc1n[nH]cc1C(=O)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72349756 YWDVHFSZFCPEKO-UHFFFAOYSA-N 378.451 3.863 0 40 GHAB COc1cccc(-c2cncc([C@H]3CCCN(C(=O)c4scnc4C)C3)n2)c1 72359709 QJXQMCMNHVYINW-INIZCTEOSA-N 394.500 3.937 0 40 GHAB CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc(C)ccc1C)S(C)(=O)=O 220544438 UZGYTSRBDINGSI-QGZVFWFLSA-N 396.459 3.765 0 40 GHAB C[C@@H]1CCc2sc3c(c2C1)C1=NCN(S)N1C(NCc1ccccc1)=N3 44960271 QFPOFIJJCWXRIJ-GFCCVEGCSA-N 383.546 3.745 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCCOc1cccc2ccccc12 223540136 HCGMHYYVATXQKH-UHFFFAOYSA-N 375.877 3.992 0 40 GHAB CC(C)[C@@H](C)NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 225203811 SWVGCKBNLJLJBR-OAHLLOKOSA-N 392.496 3.566 0 40 GHAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)COc2ccccc2OC)c1 225786493 QVFOTFWVJWMYSG-CQSZACIVSA-N 388.489 3.544 0 40 GHAB COc1ccccc1-c1c2c(=O)n(C3CCCC3)ccc2nc2nc(C)nn12 40398428 AMPUTPDZMQLQLG-UHFFFAOYSA-N 375.432 3.538 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 224654884 BCWZUFUJZIWQEX-LJQANCHMSA-N 382.504 3.626 0 40 GHAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 225688125 RXCOEVZGGSJFAP-QFIPXVFZSA-N 390.524 3.858 0 40 GHAB O=C(c1cncc(Br)c1)N1CCC[C@H](COCc2ccccc2)C1 49031473 UZEJNLJZHQTSHD-INIZCTEOSA-N 389.293 3.913 0 40 GHAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccccc3OC)s2)cc1 225013663 UQSIJYSKGKHUCI-LBPRGKRZSA-N 385.445 3.628 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1cccc(CN2CCCC2)c1 224624795 XHQXYPIRVYTDBW-QFIPXVFZSA-N 382.504 3.765 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1c(F)cccc1Cl 222984057 PPPUIPZLZAXZSU-ZDUSSCGKSA-N 394.849 3.714 0 40 GHAB COc1cc(N2CCC(C)CC2)nc(NC(=S)NCCCc2ccccc2)n1 225964343 ZXLWVJPHRUISTP-UHFFFAOYSA-N 399.564 3.641 0 40 GHAB O=C(Cn1ccc(=O)c2cc(F)ccc21)NCc1ccc(Cl)cc1Cl 225748577 CZAPAZFGSCBLJN-UHFFFAOYSA-N 379.218 3.764 0 40 GHAB COc1ccc(CN(C)C(=O)Cc2cccc(Br)c2)cc1OC 225623084 PMDWGMFHFYBEFV-UHFFFAOYSA-N 378.266 3.667 0 40 GHAB O=C(NCc1ccncc1)c1c2c(-c3ccccc3)ncnc2n2ccccc12 96264348 AGUFSWBRISOAOV-UHFFFAOYSA-N 379.423 3.875 0 40 GHAB CCOC(=O)c1cnc(NC[C@@H](c2ccc(Cl)cc2)n2ccnc2)nc1C 585139183 LRBKOOJLDCOIJZ-KRWDZBQOSA-N 385.855 3.513 0 40 GHAB Cc1cccc(C)c1NC(=O)CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257225343 FFTZQWOBNJJCCY-URXFXBBRSA-N 394.515 3.692 0 40 GHAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)c3scnc3C)CC2)n1 257261913 LJHURKPOKYHOTE-UHFFFAOYSA-N 397.504 3.842 0 40 GHAB CN(Cc1ccccc1)c1nn(-c2ccccc2C(F)(F)F)nc1C(=O)O 256049424 ZUQYIMPGYSVRJU-UHFFFAOYSA-N 376.338 3.621 0 40 GHAB C[C@H](S[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H](C(N)=O)C1 594909217 CBWQXKCBRIKXRG-SGMGOOAPSA-N 388.455 3.612 0 40 GHAB C[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 622766425 ZAQDWARZISVTOY-XJABCFGWSA-N 379.504 3.814 0 40 GHAB COC(=O)c1cn(Cc2ccc(Br)cc2)c2ccc(F)cc2c1=O 390822816 KQQUBFXAYPHQKB-UHFFFAOYSA-N 390.208 3.738 0 40 GHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1ncc2ccccn12 35767674 VHGALJOIWANTFQ-UHFFFAOYSA-N 377.416 3.686 0 40 GHAB COc1ccc(NC(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cc1 1776009125 UYQHNFBWCQAUML-UHFFFAOYSA-N 396.369 3.579 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nnc2ccc(-c3ccco3)nn12 5168176 VTIJPWLRXPETSO-UHFFFAOYSA-N 395.444 3.514 0 40 GHAB C[C@@H](C(=O)Nc1cccc2c1CCCC2)n1nc(-c2cccs2)cc(N)c1=O 12181238 FWVYFOUYRKFOPC-ZDUSSCGKSA-N 394.500 3.633 0 40 GHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1ccccc1F 12941159 OCKMAZTWCPYSMZ-UHFFFAOYSA-N 394.899 3.736 0 40 GHAB Cc1ccc(C(=O)CCC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1C 12979092 XPDPNFLZPNZXFF-UHFFFAOYSA-N 386.879 3.983 0 40 GHAB CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715172 JDPGYDYWXSGWKX-GOSISDBHSA-N 378.469 3.626 0 40 GHAB COc1ccc(CN(Cc2ccc3c(c2)CCO3)C[C@@H]2CCCO2)cc1OC 13994227 DWIDSLRLIPOLED-FQEVSTJZSA-N 383.488 3.820 0 40 GHAB CC(C)Oc1ccc(CN2CCc3nc([C@H]4CCCCN4C)ncc3C2)cc1 19450674 PKAFAMYVKYKKCM-JOCHJYFZSA-N 380.536 3.979 0 40 GHAB CCOc1ccc(CN2CCC[C@H]3NC[C@H](c4ccc(F)cc4)[C@H]32)cc1OC 19533867 VOYIDTHOUMJDHR-TXTKFYIRSA-N 384.495 3.953 0 40 GHAB CC(C)c1n[nH]c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)n1 23223342 HKTRTXIGBWHTMX-CYBMUJFWSA-N 385.449 3.584 0 40 GHAB Cc1cc(OC[C@]2(O)CCCN(C(=O)C3CCOCC3)CC2)cc(C)c1Cl 2037912350 JZZUPYMFGPJVAY-NRFANRHFSA-N 395.927 3.506 0 40 GHAB CCc1ccc2nc(N3CCN(C(=O)COc4ccccc4)CC3)sc2c1 4583416 NLWVQMSZVDDHIG-UHFFFAOYSA-N 381.501 3.586 0 40 GHAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 10218485 FWQQCRKWHSEXIN-AWEZNQCLSA-N 392.546 3.769 0 40 GHAB O=C(NCCNc1ccc(Nc2ccccn2)nn1)c1ccc2ccccc2c1 11697359 YVHJJWQKSITGMB-UHFFFAOYSA-N 384.443 3.610 0 40 GHAB COc1cccc(COc2coc(C(=O)Nc3ccc(C)c(F)c3)cc2=O)c1 11963315 QLEPAXMPNAFYDP-UHFFFAOYSA-N 383.375 3.927 0 40 GHAB COC1(CC(=O)N2CCc3sc(COCc4cccnc4)cc3C2)CCC1 2055772888 RMMAXJKGSWWPTM-UHFFFAOYSA-N 386.517 3.704 0 40 GHAB Cc1cc(OC[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)ccn1 1775972207 CVSWUEYRZBJRGM-QGZVFWFLSA-N 376.460 3.711 0 40 GHAB C[C@@H]1C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccccc4Cl)cc1c32 101079178 DBSBOKCQMBKXTI-NSHDSACASA-N 376.865 3.537 0 40 GHAB Cc1cc(OC2CCN(C(=O)Cc3cccc4ccccc34)CC2)cc(=O)o1 206974082 GRWMRMANFGDSNK-UHFFFAOYSA-N 377.440 3.714 0 40 GHAB CC(=O)Nc1cccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)c1 49004633 ILQRRPNFABQBLO-UHFFFAOYSA-N 389.459 3.876 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccccc2C)cc1 15390916 GVMVPGYKNUPMNY-SFHVURJKSA-N 386.517 3.875 0 40 GHAB CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C(=O)N1CCOCC1 40104693 CNJNCJHALRLRFX-HKUYNNGSSA-N 387.524 3.885 0 40 GHAB Cc1sc2ncn(CCC(=O)N3CCCc4ccc(F)cc43)c(=O)c2c1C 40117299 IYEQDHHFGFPSGE-UHFFFAOYSA-N 385.464 3.583 0 40 GHAB O=C(c1ccc(Cl)nc1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 101864826 RKCISNVHFKGBDV-HOTGVXAUSA-N 392.833 3.754 0 40 GHAB CCOC(=O)[C@@H]1CCCCN1Cc1cc(=O)oc2cc(CC)c(Cl)cc12 32753401 VVZLBQUNWDWROQ-KRWDZBQOSA-N 377.868 3.926 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)c3cc(-c4ccc(F)c(F)c4)on3)cc2N(C)C1=O 41155907 GISMHTRSOGGODX-JTQLQIEISA-N 399.353 3.616 0 40 GHAB O=C(Nc1ccc2[nH]ncc2c1)c1nn(-c2ccccc2)c(=O)c2ccccc12 32894183 RGSGCSHIIMIKQO-UHFFFAOYSA-N 381.395 3.514 0 40 GHAB O=C(Cc1ccc2ccccc2c1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 32983137 CQVUHLIWKKOMQH-JOCHJYFZSA-N 393.508 3.598 0 40 GHAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccccc1C 22200731 NANBEGVVMMQRTB-OXJNMPFZSA-N 385.483 3.979 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@@H]1CCN(Cc2ccccc2)C1 22356829 HHQSEARQFDNUTH-OAQYLSRUSA-N 378.495 3.992 0 40 GHAB COc1cccc(NC(=O)C[C@H](C)NC[C@@H](c2cccs2)N2CCCC2)c1 22788512 RUFARVKHCUAWTG-LPHOPBHVSA-N 387.549 3.901 0 40 GHAB O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)NCc1ccc(F)cc1 23126439 MTDUJDGZUYBPLU-UHFFFAOYSA-N 393.443 3.581 0 40 GHAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(C(=O)OC)c1 953667 REDDCNRIEBWJLD-UHFFFAOYSA-N 380.400 3.950 0 40 GHAB Cc1cc(=O)c(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)nn1-c1ccccc1Cl 23431722 BXKJJIZGZVKLSU-HOTGVXAUSA-N 385.895 3.847 0 40 GHAB Cc1c(NC(=O)COc2cccc3ccccc23)c(=O)n(-c2ccccc2)n1C 704749 PEMLYFQXDMCACQ-UHFFFAOYSA-N 387.439 3.655 0 40 GHAB CCOc1ccc(-c2csc(NC(=O)Cn3c(=O)oc4ccccc43)n2)cc1 809692 MYTMFOBFGDFEEY-UHFFFAOYSA-N 395.440 3.755 0 40 GHAB C[C@@H](C(=O)N1c2ccccc2CCc2ccccc21)n1nnc(-c2cccnc2)n1 932072 YUYAKVJOTWNXKC-INIZCTEOSA-N 396.454 3.760 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br 1017050 ACBKARFLBWLKTB-RKDXNWHRSA-N 379.092 3.894 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 1747365 PUKIGCHCNIOKOQ-ABAIWWIYSA-N 382.243 3.573 0 40 GHAB COCCNc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCCC3 2232493 ACEVVMBCXANYHT-UHFFFAOYSA-N 399.516 3.783 0 40 GHAB COc1cc(-c2nnc(NC(=O)c3ccc(F)cc3)s2)cc(OC)c1OC 4150917 IURWWIPGBRNBBP-UHFFFAOYSA-N 389.408 3.622 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(C[C@H]1CCCO1)C3=O 5252398 QMDYBWPLWCDYNP-VLIAUNLRSA-N 393.414 3.965 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCS2(=O)=O)cc1 5438629 ZLCLSXPFMPBKEP-UHFFFAOYSA-N 398.406 3.888 0 40 GHAB O=C(CCc1ccccc1)N[C@H]1CCCC[C@@H]1NC(=O)CCc1ccccc1 5736475 YKCNXRROQYJCMF-VXKWHMMOSA-N 378.516 3.796 0 40 GHAB Fc1cccc(-n2nnnc2SCc2cc(Cl)cc3c2OCOC3)c1 5796080 CETUBJFWBJVTBC-UHFFFAOYSA-N 378.816 3.614 0 40 GHAB O=C(NC1CCCCC1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 5854230 LBBSEMWCMIREJN-CPNJWEJPSA-N 392.455 3.635 0 40 GHAB COc1cc(N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc(OC)c1OC 6285290 JWVHQAXKBXAQIV-VIFPVBQESA-N 384.354 3.569 0 40 GHAB O=C(OCc1nc2ccc(Cl)cc2n1CCO)C12CC3CC(CC(C3)C1)C2 6345706 IFUSUVWCMLUWSA-UHFFFAOYSA-N 388.895 3.942 0 40 GHAB CCOc1ncccc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 6353001 XVNXOEYDIDISBY-UHFFFAOYSA-N 395.381 3.588 0 40 GHAB CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(O)c(OC)c1 6753244 IFIWJLPYGXVQQQ-NRFANRHFSA-N 393.443 3.760 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccnc2Nc2ccccc2F)C1 6862186 LGBDBABNNRCVCF-HUUCEWRRSA-N 385.439 3.626 0 40 GHAB CCn1c(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1C1CC1 6934844 VESCQXHJLTUOAH-SNVBAGLBSA-N 375.523 3.944 0 40 GHAB Cc1c(NC(=O)/C=C/c2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C 6944078 PNFCLRZHQLXEQN-OUKQBFOZSA-N 390.468 3.746 0 40 GHAB O=C(Cn1cnc2sccc2c1=O)Nc1ccccc1Oc1ccccc1 7495019 DRAOZCVNJHUXLC-UHFFFAOYSA-N 377.425 3.889 0 40 GHAB COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 7737843 LCAMNSYTTQMJHP-QGZVFWFLSA-N 386.879 3.517 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 7872029 NWCMFBSUKWRCQX-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)NC2CCCCC2)cc1Cl 7939872 YBBXTJALDJOUTH-UHFFFAOYSA-N 394.899 3.749 0 40 GHAB O=C(CNC(=O)c1ccco1)Nc1nc(-c2ccc3ccccc3c2)cs1 8190778 LHARJPCCEKZJGS-UHFFFAOYSA-N 377.425 3.925 0 40 GHAB CCN(CC)C(=O)c1ccc(N[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 8191631 NCWTWPKEOWJZIT-OAHLLOKOSA-N 381.476 3.810 0 40 GHAB Cc1nnc2sc(-c3ccc(OCc4ccccc4Cl)cc3)nn2c1=O 8400855 OTLPXMCNEIAYKL-UHFFFAOYSA-N 384.848 3.754 0 40 GHAB COC(=O)c1c(Cn2cc(C(F)(F)F)ccc2=O)nc2ccccc2c1C 8718827 MNZLPTIRVIKOHK-UHFFFAOYSA-N 376.334 3.559 0 40 GHAB C[C@H]1Cc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2N1S(C)(=O)=O 10324200 PTYZBMLDHCPHNH-JTQLQIEISA-N 399.299 3.956 0 40 GHAB CCOc1ccccc1-c1noc(Cn2cnc3cc(Cl)ccc3c2=O)n1 10688627 QCJFNRAVNSQUSH-UHFFFAOYSA-N 382.807 3.547 0 40 GHAB O=C(COC(=O)c1sccc1-c1ccccc1)Nc1ccc2c(c1)OCO2 10986555 OBBLIQFADNFECS-UHFFFAOYSA-N 381.409 3.939 0 40 GHAB CCn1cc(CN2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)c(C)n1 12120863 MEFBIZVKDLBFCW-UHFFFAOYSA-N 395.555 3.513 0 40 GHAB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)OCc1ccccn1 12257166 GBRXUEUIFLPYGJ-AWEZNQCLSA-N 382.363 3.647 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12326157 IFTZFXUWUKNDLY-IBGZPJMESA-N 397.494 3.525 0 40 GHAB Cc1ccc(C)c(C(=O)CCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1 12757616 LMTVWMJOJQPRPY-UHFFFAOYSA-N 386.879 3.983 0 40 GHAB Cc1ccc(C)n1NC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2)cc1 12774037 QNZOIAGHQWWPTD-KRWDZBQOSA-N 377.444 3.895 0 40 GHAB Cc1nc(-c2cccc(NC(=O)CN3C(=O)CCOc4ccccc43)c2)cs1 12797399 WSRUCOHNKQTSSW-UHFFFAOYSA-N 393.468 3.873 0 40 GHAB CCC[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccccc1 12813545 STPFRTPLESOQNI-LJQANCHMSA-N 386.517 3.670 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1 12817610 AEQBMCKIQHGBRJ-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12878694 SJUNMYMWQSXZOV-MRXNPFEDSA-N 386.879 3.905 0 40 GHAB CCc1cccc(N2C[C@H](C(=O)NCc3nc4ccccc4s3)CC2=O)c1 13019179 URYFVEXJWVAMMQ-OAHLLOKOSA-N 379.485 3.528 0 40 GHAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)c3ccccn3)cc2)n1 13228161 OFXUCQLTDITERT-UHFFFAOYSA-N 381.439 3.839 0 40 GHAB O=C(O)c1cc(Cl)c(OCC(=O)N2CCC(c3ccccc3)=N2)c(Cl)c1 13423495 ZAUNXMDZDICFCG-UHFFFAOYSA-N 393.226 3.707 0 40 GHAB O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1cc(Cl)ccc1Cl 13636763 GZPSWKPTNKAEFR-QGZVFWFLSA-N 393.270 3.750 0 40 GHAB O=C(C[C@@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccccc1 13690356 YVHUKRCGHSVBHN-LJQANCHMSA-N 386.411 3.746 0 40 GHAB O=C(Cc1ccc(NC(=O)COc2ccccc2F)cc1)NCc1cccs1 13716760 KHPOMFTYXNGIEI-UHFFFAOYSA-N 398.459 3.764 0 40 GHAB Cc1cc(C)n(C[C@@H](O)CN(Cc2ccco2)Cc2cccc3ncccc23)n1 13992002 CCYMSFZFRCDOHI-FQEVSTJZSA-N 390.487 3.704 0 40 GHAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cc2c(s1)CCCC2 14083880 IPVCNQONFFRSPL-OAHLLOKOSA-N 384.501 3.788 0 40 GHAB COc1cc(OC)c(C[C@@H]2C(=O)Nc3ccc(Br)cc32)c(OC)c1 15017909 WJOUYSOELMKEDA-ZDUSSCGKSA-N 392.249 3.753 0 40 GHAB COc1cc(C)c(S(=O)(=O)N2CCc3cc4ccc(C)cc4nc32)cc1C 15841967 NNWVIFMOKUEXIE-UHFFFAOYSA-N 382.485 3.920 0 40 GHAB Cc1cccc(-c2nnc([C@H](C)Sc3n[nH]c(=O)n3Cc3ccccc3)o2)c1 16804065 CAJJKBZEXCQKPT-AWEZNQCLSA-N 393.472 3.831 0 40 GHAB COc1ccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 19555287 COXQSZRFGKYBDL-FQEVSTJZSA-N 376.460 3.568 0 40 GHAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 19562172 GDMKQCQYIXSWQD-AWEZNQCLSA-N 386.502 3.631 0 40 GHAB Cc1cc2cc(NC(=O)CCC(=O)Nc3nnc(C)s3)cc(Cl)c2o1 19719311 HLFVDZBSPRGSTL-UHFFFAOYSA-N 378.841 3.912 0 40 GHAB Cc1ccc2nc(-c3ccc(NC(=O)c4c(C(=O)O)cnn4C)cc3)sc2c1 20614509 CDXNMALKXKJAMM-UHFFFAOYSA-N 392.440 3.956 0 40 GHAB CC(C)c1ccccc1N(CC(=O)NCCC1=CCCCC1)S(C)(=O)=O 22389230 IFNDXCJTXJRLFE-UHFFFAOYSA-N 378.538 3.583 0 40 GHAB O[C@@H](COc1ccc(Cl)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1 22798570 UVSWZWUMODMVRM-LJQANCHMSA-N 395.330 3.551 0 40 GHAB CCc1noc(C)c1C(=O)N(CC)CC(=O)Nc1ccccc1C(F)(F)F 23077898 BHAAOSUZNZCLKN-UHFFFAOYSA-N 383.370 3.665 0 40 GHAB COC(=O)c1ccc(CSc2nnc(C)c3cnn(-c4ccc(F)cc4)c23)o1 23137645 FCIPUZMUIIMGCR-UHFFFAOYSA-N 398.419 3.935 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606475 MZFNMEWFHNTBBH-ZDUSSCGKSA-N 398.937 3.749 0 40 GHAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cccc(Nc2ncccn2)c1 28101571 NILXYXIDPIQXEP-UHFFFAOYSA-N 387.487 3.746 0 40 GHAB Cc1sc2ncn(C[C@H](O)CO[C@H](C)c3ccc(Cl)cc3)c(=O)c2c1C 29333164 FRSIHCGMWFJONV-WBMJQRKESA-N 392.908 3.867 0 40 GHAB CCc1cccc(NC(=O)CNc2ccccc2I)c1 30286133 SDLZSRKRYMSWBG-UHFFFAOYSA-N 380.229 3.904 0 40 GHAB Fc1ccc(CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)c(Cl)c1 32489427 PXOUXCDPTKCRGL-UHFFFAOYSA-N 376.859 3.568 0 40 GHAB O=C(NCCC12C[C@@H]3CC1C[C@@H]3C2)[C@H]1CCCC[C@H]1C(=O)OCC(F)(F)F 32581174 XOIMGDQMWJINKH-MTOTXDDQSA-N 387.442 3.841 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 32740972 WIIBNRAGJJVVLQ-CQSZACIVSA-N 375.494 3.654 0 40 GHAB COC(=O)c1cc(COC(=O)c2c[nH]c3ccc(Br)cc23)oc1C 32824160 MZUKWJMCWBEXPQ-UHFFFAOYSA-N 392.205 3.975 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2ccccc21)c1ccccc1 32843518 CYTIHFBOGOEXID-DHIUTWEWSA-N 384.479 3.831 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)c1ccc[nH]1)CC2 35355451 DFDOSDXVCVKNKL-NRFANRHFSA-N 382.485 3.924 0 40 GHAB O=C(/C=C/c1ccc(OC(F)F)cc1)NCc1ccccc1Cn1ccnc1 36393173 MVAIVVDHLIVNJQ-JXMROGBWSA-N 383.398 3.862 0 40 GHAB O=C(C1CCCCC1)N1CCC(NC(=S)Nc2ccc(F)cc2F)CC1 36844929 QROKYTNDNACQOE-UHFFFAOYSA-N 381.492 3.823 0 40 GHAB COc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 47156156 GXHCIFZBLWWRFF-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB CC1CCN(c2ccc(CNC(=O)c3cc(-c4ccccc4)[nH]n3)cn2)CC1 48287329 SRQPSZCRTMLAMW-UHFFFAOYSA-N 375.476 3.638 0 40 GHAB Cc1cc(C)c(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)c(C)c1 57477804 WSNDIGRNWPPDPX-UHFFFAOYSA-N 379.435 3.922 0 40 GHAB O=C(CSC(c1ccccc1)c1ccccc1)NCCC(=O)N1CCCC1 57576189 KNILINHIKDDHCH-UHFFFAOYSA-N 382.529 3.638 0 40 GHAB Cc1ccc(C)c(N2CCN([C@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1 57669762 UOHAVMIWPYWKBH-HXUWFJFHSA-N 384.572 3.954 0 40 GHAB CC(C)CCn1c(=O)c2ccccc2n2c(CN(C)Cc3ccccc3)nnc12 58164507 PAYAVDPLDZLEEE-UHFFFAOYSA-N 389.503 3.722 0 40 GHAB CCN(C[C@@H]1CCOC1)C(=O)CCc1nc2ccccc2n1-c1ccccc1 58245734 PDIYNRDJYDUKLE-SFHVURJKSA-N 377.488 3.843 0 40 GHAB COc1c(C)cnc(CN(C)S(=O)(=O)c2cc(Cl)sc2Cl)c1C 58506880 YKVBDMYCAHWQNY-UHFFFAOYSA-N 395.333 3.896 0 40 GHAB Cc1c2c(=O)n(-c3ccc(Cl)cc3)[nH]c2cc(=O)n1C1Cc2ccccc2C1 59707505 YQLPJNKMFJECJT-UHFFFAOYSA-N 391.858 3.782 0 40 GHAB CCCN(CCC)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[C@H](C)CC 67238765 BFZHNSJLOODGHG-CQSZACIVSA-N 378.542 3.745 0 40 GHAB CN(Cc1ccccc1)Cc1cc(CC2(NCC3CCCCC3)COC2)no1 67898106 BLDPRLWSCWMVBA-UHFFFAOYSA-N 383.536 3.788 0 40 GHAB biogenic,in-vitro Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1F 71326981 KWFKHYSQGWRCNG-UHFFFAOYSA-N 395.438 3.542 0 40 GHAB Nn1c(SCc2cccc(Br)c2)nc2cc(Cl)ccc2c1=O 71768838 DZDCOHOTHZROMR-UHFFFAOYSA-N 396.697 3.819 0 40 GHAB Cn1c(-c2ccccc2)cc2ccn(CC(=O)c3ccc4c(c3)OCO4)c(=O)c21 72312902 QXESHHQGJDDVSY-UHFFFAOYSA-N 386.407 3.619 0 40 GHAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 72354159 VYDSJMVJVUBCRL-IBGZPJMESA-N 392.478 3.873 0 40 GHAB O=C(Nc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@H]1c1cc(F)ccc1F 89813923 LSLLJFFVIYZHEJ-PKOBYXMFSA-N 386.442 3.664 0 40 GHAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)Nc1cccc(OC(F)(F)F)c1 95460847 PXGZYTVSKSKWFB-AWEZNQCLSA-N 384.358 3.531 0 40 GHAB COc1ccc(NC2=NC(=O)S/C2=C/c2ccc3c(c2)n(C)c(=O)n3C)cc1 95479726 UIFQKWLXOATGIA-GZTJUZNOSA-N 394.456 3.604 0 40 GHAB Cc1cccc(CN2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)n1 96239643 LTNZFWCAAAJMNC-IBGZPJMESA-N 376.426 3.662 0 40 GHAB CCCc1ccc(C(=O)N2CCc3onc(COc4cccnc4)c3C2)cc1 96260055 IAWJRDQIEAXNJI-UHFFFAOYSA-N 377.444 3.800 0 40 GHAB O=C1[C@@H]2CCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N[C@H]2c1ccc2c(c1)OCO2 100574904 SUOGCSHCUPAGNZ-RPQNVMPDSA-N 379.412 3.515 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(C)c2)CC1 100750077 GVJIDSZJISQISE-NHCICSSKSA-N 393.531 3.733 0 40 GHAB O=C(CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 102527713 CNQVEFRXVNYSKV-CHWSQXEVSA-N 381.259 3.663 0 40 GHAB O=C(Nc1cccnc1N1CCOCC1)N[C@H](c1ccc(F)cc1)C1CCC1 105015499 SSHCLHWTHJEDEP-IBGZPJMESA-N 384.455 3.720 0 40 GHAB CCc1cc(=O)n2nc(N(C)[C@H](C)[C@H](C)c3ccc(Cl)cc3)sc2n1 106923317 XMTKJGHYMGFZEM-NWDGAFQWSA-N 376.913 3.995 0 40 GHAB Cc1cc(OC2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc(=O)o1 206974746 MVQJBWNQQIWAIM-UHFFFAOYSA-N 395.377 3.580 0 40 GHAB O=C(NCc1cccs1)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219244046 WJPUZAULFIOBQM-KRWDZBQOSA-N 376.503 3.867 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2cccc(OC)c2)no1 219380833 CYOQNVULIGVBQG-SFHVURJKSA-N 395.459 3.836 0 40 GHAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)S1 222628914 LHPOKNCOWZPSLN-BEVDRBHNSA-N 375.501 3.916 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1C(C)C 222720495 IJFLSLOIDPSXIW-CQSZACIVSA-N 391.489 3.629 0 40 GHAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)NCCCOC)cc1 222887802 OUNVVIJXDBXKKE-NRFANRHFSA-N 398.503 3.811 0 40 GHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2ccccc2OC)CC1 222947063 GDKXZYOKGXOTGX-FQEVSTJZSA-N 382.504 3.818 0 40 GHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CC2)c1C 223044104 GXMHCWNRHGKTHH-VQTJNVASSA-N 384.549 3.844 0 40 GHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 223488445 IXWJNHAVMNHSBY-JOCHJYFZSA-N 396.531 3.750 0 40 GHAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 223497329 CJBHMICTIVVTDR-FQEVSTJZSA-N 386.923 3.869 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 224518306 UWCRSSRAPVFWDV-CYBMUJFWSA-N 394.924 3.789 0 40 GHAB COC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1 225045863 WVVMKQDZROCKGP-UHFFFAOYSA-N 389.860 3.862 0 40 GHAB CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cccs1 225139357 ACSAMCHQXBGNSH-UHFFFAOYSA-N 394.301 3.813 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225299480 GVHYLRMLWYFGBX-OAHLLOKOSA-N 390.505 3.612 0 40 GHAB COc1cc(C)c(S(=O)(=O)N[C@@H]2CCCc3cc(OC)ccc32)c(C)c1 225436727 HPMJFUUJGRSUDQ-LJQANCHMSA-N 375.490 3.677 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 225594321 QYRCNIVPSTYLBO-HNNXBMFYSA-N 390.886 3.964 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(SCC(C)C)s1 225649855 XQDGDRQWXHZKAI-UHFFFAOYSA-N 393.943 3.749 0 40 GHAB CCc1nc2cc(C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)ccc2n1C 225895227 SMPKLBJFTRDUSN-UHFFFAOYSA-N 390.487 3.553 0 40 GHAB C[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)c2ccncc2)C1 257207197 BGTHYXVCFVONDW-QFIPXVFZSA-N 379.435 3.993 0 40 GHAB CC(=O)N1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3F)c2)C1 257284612 PDMIYXWTYFVKLQ-KRWDZBQOSA-N 379.439 3.559 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 260762161 GTEVPJMYJVFXFN-SJORKVTESA-N 388.533 3.589 0 40 GHAB CCc1ccc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)cc1 306138315 RUTOLGOODDLMPX-GOTSBHOMSA-N 386.499 3.527 0 40 GHAB CC(C)(C)SC[C@H]1CCCCN1C(=O)CCc1ccc(S(C)(=O)=O)cc1 390831056 PIBDDAKXRYDUFH-QGZVFWFLSA-N 397.606 3.936 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 408562712 RPLQXVNGKFVHFO-UHFFFAOYSA-N 375.494 3.978 0 40 GHAB Cc1nnc(SCC(=O)Nc2ccc(Br)c(Cl)c2)s1 408599199 FYPXKPYCTYWHNQ-UHFFFAOYSA-N 378.704 3.993 0 40 GHAB Cc1cccc(N2C[C@H](C(=O)NCc3ccccc3OC(C)C)CC2=O)c1C 408708369 PPENGJWAJHGHGP-LJQANCHMSA-N 380.488 3.760 0 40 GHAB CCc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1 507227273 FFYDMJOZCZURJJ-QHCPKHFHSA-N 392.543 3.908 0 40 GHAB COc1ccc([C@@H](CNC(=O)[C@@]2(C)CCCN2)c2c[nH]c3ccccc23)cc1 519652216 JZGXOXYMUJPYPH-AUSIDOKSSA-N 377.488 3.567 0 40 GHAB O=C(Cc1cnccc1C(F)(F)F)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 520425281 PXOUEPGQDBXZRL-UHFFFAOYSA-N 397.784 3.827 0 40 GHAB COc1cccc(OC)c1-c1oc2c(c1CC(=O)O)c(=O)oc1ccccc12 524731498 ABCLBWQYYRMMJR-UHFFFAOYSA-N 380.352 3.851 0 40 GHAB biogenic CCN1CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)[C@@H](C)C1 561157366 KWMJHHVJHRJMSV-HNNXBMFYSA-N 397.544 3.655 0 40 GHAB O=C(Nc1ccc(OC2CCCC2)nc1)N1CC[C@@](CO)(c2ccccc2)C1 570099781 WVHFBQSPXQPJCJ-JOCHJYFZSA-N 381.476 3.571 0 40 GHAB COC(=O)c1ccc(NC(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc1 575442984 KGWFTYVSIOJNEY-QGZVFWFLSA-N 398.488 3.965 0 40 GHAB O=C(NCCn1ccnc1-c1cnccn1)C1(c2ccc(Cl)cc2)CCCC1 575609407 LBQVIXDCAHVZLP-UHFFFAOYSA-N 395.894 3.622 0 40 GHAB O=C(NCc1cccc(-c2cccnc2)c1)N[C@@H]1CCN(C2CCCCC2)C1 661034107 MVTWIMREQIYJJH-OAQYLSRUSA-N 378.520 3.955 0 40 GHAB CCN(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 1224299561 QRCKCXNQJAOJKK-HNNXBMFYSA-N 389.858 3.816 0 40 GHAB Cn1nccc1CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 1848357029 NDMRKYLZNORXDW-AZUAARDMSA-N 387.911 3.968 0 40 GHAB CC1CCN(CC[C@H]2CCCCN2C(=O)c2cc3ccccc3oc2=O)CC1 2037850044 KUPACEPPOWYTIJ-LJQANCHMSA-N 382.504 3.910 0 40 GHAB Cc1ccsc1CN1CC[C@]2(CC[C@H](C(=O)Nc3cccnc3)O2)[C@H](C)C1 2055731561 DXJMKKJEDWIYLB-HGHGUNKESA-N 385.533 3.850 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 11001512 MJFJIYWJWJWBDJ-LVMGUKCRSA-N 394.471 3.594 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccc(Cl)c1 1225019 HYZSKKANXHQFGK-UHFFFAOYSA-N 390.848 3.664 0 40 GHAB COc1cccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2N)c1 2438313 DKRARRXBQSAMMP-UHFFFAOYSA-N 380.395 3.979 0 40 GHAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1 3607099 PMBQSQUSKXJDNT-UHFFFAOYSA-N 382.460 3.779 0 40 GHAB CC(=O)N1CCc2ccccc2[C@H]1c1c(O)[nH]c(=S)n(C2CCCCC2)c1=O 101011200 WVFZBINHBHCSMF-SFHVURJKSA-N 399.516 3.611 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccccc1F 6022868 GFPVUEBDECMPJQ-SFHVURJKSA-N 388.439 3.874 0 40 GHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccccc2OC(C)C)nn1 32092397 QHKALXLHTLNWPH-HNNXBMFYSA-N 393.447 3.890 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1 7281668 MRQCRUJWIIHVFX-UHFFFAOYSA-N 388.515 3.771 0 40 GHAB CCOc1ccc(OCCNC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 8387927 WEUDYTDUOOHYQE-UHFFFAOYSA-N 379.460 3.697 0 40 GHAB COc1cccc(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4ccc(F)cc4)nn32)c1 32102710 SSLZQDPTOZEMPL-KRWDZBQOSA-N 380.379 3.869 0 40 GHAB CCc1ccc(-c2nc(CC(=O)NC[C@@H]3COc4ccccc4O3)cs2)cc1 32722105 BRKCXRZEJATGPF-GOSISDBHSA-N 394.496 3.871 0 40 GHAB CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1 10338287 JMNSYGOXLIPFAD-UHFFFAOYSA-N 378.469 3.528 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)N(CC(C)C)C2=O 692964 IOLXFVRQQPWZGG-UHFFFAOYSA-N 386.835 3.853 0 40 GHAB O=C(NOCc1ccccc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 25286843 PPBYPGXCJNOHDB-UHFFFAOYSA-N 376.391 3.664 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)C(C)(C)C)CC2)on1 100743934 DMJBMQQRRWDKAV-IYBDPMFKSA-N 399.539 3.942 0 40 GHAB C[C@H](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 804747 XUHLCMHUHVCOBZ-QGZVFWFLSA-N 386.517 3.994 0 40 GHAB CC[C@@H](C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 938356 MYBCUHUIWKAMIT-OLZOCXBDSA-N 376.522 3.951 0 40 GHAB COc1ccc(C2(O)C[C@@H]3CC[C@@H](C2)N3Cc2ccc(CN(C)C)cc2)cc1 100765319 WOLVAHREUCUDPY-VXKWHMMOSA-N 380.532 3.771 0 40 GHAB COc1cccc2cc(C(=O)NCCc3c(C)[nH]c4ccc(C)cc34)c(=O)oc12 1072219 VIFNPNWLZYETBX-UHFFFAOYSA-N 390.439 3.872 0 40 GHAB COc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1O 54797753 KMHPLMDMUKMAAP-OAHLLOKOSA-N 397.500 3.543 0 40 GHAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(O)c2)c1 1278641 QEIFONOVMCHCAX-FQEVSTJZSA-N 384.391 3.952 0 40 GHAB O=C(/C=C/c1cc2c(cc1Br)OCO2)NCc1ccc(F)cc1 1394639 FLPSLWVDXQANLL-ZZXKWVIFSA-N 378.197 3.647 0 40 GHAB O=C(NC1CCN(C(=O)Cc2cccc3ccccc23)CC1)c1ccc(F)cc1 25212062 VAAOPCJPDNJHSE-UHFFFAOYSA-N 390.458 3.942 0 40 GHAB COc1ccc(OC)c(CN(C(=O)c2ccc3c(c2)NC(=O)CS3)C2CC2)c1 25805119 ZNXXYGAGMJWLLT-UHFFFAOYSA-N 398.484 3.553 0 40 GHAB O=c1cc(CN2CCC(Cc3ccccc3)CC2)c2cc3c(cc2o1)OCO3 2114067 WANBZBVLYPVDIY-UHFFFAOYSA-N 377.440 3.976 0 40 GHAB biogenic CCN(CC)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 408558861 SUDGQGSNJWOAKZ-UHFFFAOYSA-N 398.887 3.543 0 40 GHAB COc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1OC 10444311 SNHSJCSLZJSLHZ-UHFFFAOYSA-N 396.487 3.514 0 40 GHAB CCN(CC)c1ccc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)cc1 12607804 CMWZVHGCTXTDKX-JOCHJYFZSA-N 381.520 3.855 0 40 GHAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc(Cl)cc1Cl 3316699 IMTMOUOWDZDSAM-UHFFFAOYSA-N 392.194 3.895 0 40 GHAB C[C@@H](NC(=O)CCCNC(=O)c1ccsc1)c1ccccc1Br 12798162 AENGAIANLYGOGR-GFCCVEGCSA-N 395.322 3.898 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(Br)cc1F 12945260 BFHGFLFNVSCWPL-UHFFFAOYSA-N 391.240 3.896 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 3532850 XANNVEAYCWYUAC-KRWDZBQOSA-N 396.871 3.661 0 40 GHAB O=C(COc1cccc(F)c1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3609301 DVOAVKAONQMNNP-UHFFFAOYSA-N 397.475 3.858 0 40 GHAB COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccn3)c3ccccc3C(=O)N2C)cc1 3657661 AXOLPJNJXJQFIO-NHCUHLMSSA-N 387.439 3.639 0 40 GHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N[C@H]1CCc2ccccc21 13014863 KNOYGZRVTOOKOM-KRWDZBQOSA-N 393.512 3.531 0 40 GHAB O=C(CSc1ccccc1C(=O)NCc1ccco1)NCC1CCCCC1 8132220 IUFWPUDLXYEHFY-UHFFFAOYSA-N 386.517 3.998 0 40 GHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(Cc1ccco1)C1=CCCCC1)C2=O 6087400 CHRILGNGKDRISR-OPAMFIHVSA-N 399.491 3.567 0 40 GHAB O=C(Cc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)NCc1ccccc1 8103609 KBGPONIWRRUTBA-UHFFFAOYSA-N 377.469 3.554 0 40 GHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1 39996887 KNJFWTOGURWOMD-GOSISDBHSA-N 379.485 3.503 0 40 GHAB Cc1cc(Oc2ccc(Br)cc2Br)n2ncnc2n1 14247359 KWBNOIXSWRNKBB-UHFFFAOYSA-N 384.031 3.750 0 40 GHAB Cc1ccc(N(C(=O)c2ccc(=O)n(C)n2)c2nc3ccccc3s2)cc1F 14251194 ARTCLDVCRUBHGC-UHFFFAOYSA-N 394.431 3.816 0 40 GHAB COc1ccc2cc(CNC(=O)CCCNC(=O)NC3CCCCC3)ccc2c1 14900232 BTYZPCNTEBJEJS-UHFFFAOYSA-N 397.519 3.877 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1-n1cnnn1 6874508 IJLVKBVRUFHKIP-UHFFFAOYSA-N 383.455 3.614 0 40 GHAB CC[C@H](C)n1c(SCC(=O)NC2CCCCC2)nc2cc(C)[nH]c2c1=O 67238615 CCZVMXLBSAVKQW-ZDUSSCGKSA-N 376.526 3.545 0 40 GHAB Cc1ccc(NC(=O)COC(=O)COc2ccc(Br)cc2)c(C)c1 7061477 HJWBNYNWUYUAMK-UHFFFAOYSA-N 392.249 3.627 0 40 GHAB COc1ccccc1N1CC(=O)N(c2ccccc2F)[C@@H](c2ccccc2)C1=O 15413573 XCLZVZJTTJBQSA-QFIPXVFZSA-N 390.414 3.955 0 40 GHAB Cc1ccc([C@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)c2ccccc2)cc1 7139328 PZYJAGCYPWJJSH-HSZRJFAPSA-N 383.451 3.680 0 40 GHAB Cn1c(-c2ccccc2)cnc1S[C@H](C(=O)N1CCOCC1)c1ccccc1 7122726 WLGPUKPSVCBXFU-FQEVSTJZSA-N 393.512 3.779 0 40 GHAB O=S(=O)(NCCCn1cnc2ccccc21)c1c(Cl)cccc1Cl 7286634 IPMJCZXFORGWJR-UHFFFAOYSA-N 384.288 3.712 0 40 GHAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)N1CCOC1=O 7318796 CANJMOMRLSXBAR-UHFFFAOYSA-N 379.441 3.815 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1sc(-c3ccncc3)nc1C)CC2 70666493 BPBGLQBCRLWKLA-UHFFFAOYSA-N 395.484 3.729 0 40 GHAB biogenic Cc1nn(Cc2ccccc2)c(C)c1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C(C)C 71281308 GHUBROXGDVLXDI-MRXNPFEDSA-N 379.464 3.743 0 40 GHAB O=C(CCn1ccc2ccccc21)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9378755 NWYQKYOFTAUMRZ-UHFFFAOYSA-N 388.471 3.538 0 40 GHAB COc1ccccc1CN1CCC(NC(=O)Cc2ccc3c(c2)CCCC3)CC1 72005942 AMUBZHDBXFZSNZ-UHFFFAOYSA-N 392.543 3.897 0 40 GHAB O=C(CCN1CC[C@@H](CSc2ccccc2)C1)NC(=O)NCc1ccccc1 72304963 QILGSFGSWGHLOK-LJQANCHMSA-N 397.544 3.517 0 40 GHAB CN(C)C(=O)c1ccc(OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 97336494 RTCJKMUIJLRHTI-UHFFFAOYSA-N 395.286 3.733 0 40 GHAB CC(C)c1c(NC(=O)CO[C@H]2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C 78808599 KYRPBBLINNOOLP-AEFFLSMTSA-N 385.508 3.833 0 40 GHAB O=C(/C=C/c1cccc(Cl)c1)N1CCOC[C@H]1C[C@H](O)c1cccs1 79057166 GSVXASHFFXTGPR-NGHLMZTLSA-N 377.893 3.766 0 40 GHAB O=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)Nc1cccc(F)c1 23248699 MZEJKYWVQHCKSM-UHFFFAOYSA-N 396.293 3.889 0 40 GHAB CCNCc1cnc(C)c2oc(-c3cc(=O)oc4cc5c(cc34)OCO5)cc12 85875071 WZASLOCSQWPAII-UHFFFAOYSA-N 378.384 3.748 0 40 GHAB biogenic Cc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 113958101 MSIDALHLCBZETB-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 409229914 AVVBCMPQULOKLA-GZTJUZNOSA-N 384.407 3.716 0 40 GHAB O=C(NC(=S)NCc1ccccc1)c1cc(Br)ccc1Cl 408628777 XJRJZMXFQSVGDK-UHFFFAOYSA-N 383.698 3.907 0 40 GHAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 36614815 LCCMVGQXXUHVDC-UHFFFAOYSA-N 383.464 3.538 0 40 GHAB CCN(CC)C(=O)CN1CCC[C@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)n1 72372475 MQRWEZXPHUOSEE-FQEVSTJZSA-N 396.539 3.546 0 40 GHAB COc1cc2c(cc1OC)[C@H](NC(=O)c1nc(-n3cccc3)sc1C)CC2 524734419 CSFDJLGRKMSVGG-OAHLLOKOSA-N 383.473 3.677 0 40 GHAB CCOc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1OCC 34198317 ZRPNKDUTTYVTQB-DHZHZOJOSA-N 394.515 3.955 0 40 GHAB CCn1nccc1CNc1nc(-c2cccc(OC)c2)cc(C(F)(F)F)n1 36614100 HUJQCPKIIRQPLY-UHFFFAOYSA-N 377.370 4.000 0 40 GHAB COc1ccc([C@H]2CCCN2C[C@H](O)c2cc(F)ccc2OC)c(OC)c1 36734408 JUKSONIFRMKDHP-MOPGFXCFSA-N 375.440 3.722 0 40 GHAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccc(CN2CCCC2)cc1 38831621 XNUGJXLVGXUJBF-UHFFFAOYSA-N 377.532 3.808 0 40 GHAB C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1cccc2ncccc12 31695202 KKKCULOHIDIOMH-CYBMUJFWSA-N 390.468 3.601 0 40 GHAB CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCN3)CC1 561046222 JJRFXNPKGBLDEN-OAQYLSRUSA-N 393.535 3.958 0 40 GHAB Cc1noc(C)c1[C@H]1SCC(O)=Nc2c1c(C)nn2-c1ccc(C(=O)O)cc1 79481620 FBFXIHUSUZITOH-QGZVFWFLSA-N 398.444 3.908 0 40 GHAB CN(C)c1nc2ccccc2cc1CN1CCC(O)(c2ccccc2F)CC1 43286455 VMVYGVAAIJBENU-UHFFFAOYSA-N 379.479 3.924 0 40 GHAB O=C(CCNC(=O)Nc1ccc(Br)cc1)NC1CCCCCC1 40134525 APMJVLXQPLLYAR-UHFFFAOYSA-N 382.302 3.800 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 223468952 CNQNWEKAPXITBA-KRWDZBQOSA-N 388.533 3.527 0 40 GHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223888281 CUJSHAGSIYXJEG-OXJNMPFZSA-N 389.517 3.742 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)Nc1cnc(Oc2ccccc2F)nc1 224287527 QUEFFDMBLRZQAZ-UHFFFAOYSA-N 389.408 3.526 0 40 GHAB CCc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1 225727563 ZNRIYPHTLIIUJP-UHFFFAOYSA-N 385.261 3.965 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCCSCc1ccccc1)CCCC2 223157785 JBNBPNKDLBUYOS-UHFFFAOYSA-N 391.558 3.786 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCC1(c2ccccc2)CCOCC1 223076699 JWNSSENKXAHIOI-OAQYLSRUSA-N 383.488 3.717 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1cc(C2CC2)on1 77200677 YBGAJSWTTBETOC-IBGZPJMESA-N 377.444 3.674 0 40 GHAB CC(=O)c1cccc(-c2ccc([C@H](c3c(O)n[nH]c3C)c3c(C)n[nH]c3O)o2)c1 96193517 HFGDSFVHERDWFZ-UHFFFAOYSA-N 392.415 3.804 0 40 GHAB CS(=O)(=O)Nc1ccc(NC(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)cc1 581932873 QOZVSIFCVDKQSL-IBGZPJMESA-N 399.516 3.860 0 40 GHAB CSCC[C@@H](NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1)C(=O)O 95481986 PBDDKNFDOIVISH-MRXNPFEDSA-N 392.546 3.799 0 40 GHAB Cc1nccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)n1 257286295 PLBGDHXPLJVFQL-LJQANCHMSA-N 380.423 3.870 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)NCc1sc(-c2ccco2)nc1C 90593519 XABKAGVRMHWJBY-UHFFFAOYSA-N 392.502 3.815 0 40 GHAB O=C(Nc1ncc(C2CCOCC2)s1)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 654105590 LPCDEJKPJVFXJE-AAEUAGOBSA-N 393.431 3.659 0 40 GHAB O=S(=O)(Nc1cccc(Cn2ccnc2)c1)c1cccc(C(F)(F)F)c1 1254284533 VSPBUIODQSLZAO-UHFFFAOYSA-N 381.379 3.751 0 40 GHAB COc1cccc2cc(C(=O)N[C@H](C)Cc3cc4ccccc4o3)c(=O)oc12 390828958 CLCLDUKJJVMLKL-CYBMUJFWSA-N 377.396 3.909 0 40 GHAB CC(C)Oc1cc(CCC(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)on1 12147542 XEBDOXLCPZTVLC-UHFFFAOYSA-N 376.844 3.583 0 40 GHAB O=C(c1ccc(CN2CCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1 13683030 ZQJRUQLOLJSXSP-UHFFFAOYSA-N 383.923 3.898 0 40 GHAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)/C=C\c3ccccc3)CC2)on1 19121183 ZSRMLCURGKXASZ-FPLPWBNLSA-N 390.443 3.565 0 40 GHAB COc1ccc([C@H](O)CN2CCc3[nH]c4c(C)cccc4c3C2)cc1NC(C)=O 19236585 NBWMUZACSPDKFR-OAQYLSRUSA-N 393.487 3.535 0 40 GHAB CC(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccc(C(C)C)cc4)C3)ncc2C1 19453234 ZWPFEKNSWDKOQP-OAQYLSRUSA-N 392.547 3.884 0 40 GHAB Cc1ccc(-c2csnn2)cc1NC(=O)CC[C@@H]1C(=O)Nc2ccccc21 19714348 JKXUXSNEZIQZHT-HNNXBMFYSA-N 378.457 3.968 0 40 GHAB Cc1nccn1Cc1cccc(NC(=O)[C@@H](c2ccccc2)n2ccnc2C)c1 19718852 WXDHBVGQUCTDKZ-JOCHJYFZSA-N 385.471 3.973 0 40 GHAB C[C@@H]1CCc2c(sc3ncnc(OCC(=O)N4CCc5ccccc54)c23)C1 2663883 SHVCLNDRMHBMQV-CYBMUJFWSA-N 379.485 3.784 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1)C1CC1 10034793 FEGYUFYGTDNHOV-OAHLLOKOSA-N 398.484 3.845 0 40 GHAB O=C1COC2(CCN(Cc3ccc4ncccc4c3)CC2)CN1c1ccccc1 1138107433 VFCNGEXINZMEEW-UHFFFAOYSA-N 387.483 3.633 0 40 GHAB O=C(CCN1CCN(Cc2ccc(Cl)s2)CC1)Nc1cccc(F)c1 22934034 AEIBLPIKDMPSIB-UHFFFAOYSA-N 381.904 3.687 0 40 GHAB Cc1cccc(NC(=O)C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)c1 4375253 JGTLFSAOIYKSAO-UHFFFAOYSA-N 397.475 3.863 0 40 GHAB COc1ccccc1Nc1nc(Nc2cccc(C)c2)nc(N2CCOCC2)n1 9708948 OSHBLMBIVAEIKL-UHFFFAOYSA-N 392.463 3.512 0 40 GHAB O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc2ccc(F)cc2s1 10218887 UYGRVPWBWRXCII-UHFFFAOYSA-N 396.440 3.767 0 40 GHAB CCCOc1cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc(C)n1 12224135 BDVGZJSIHPTSPV-UHFFFAOYSA-N 389.887 3.581 0 40 GHAB O=C(CCc1nc(-c2cccnc2)no1)Nc1cccc(C(=O)c2ccccc2)c1 15081901 RLPUILQGAZNKFF-UHFFFAOYSA-N 398.422 3.934 0 40 GHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccccc3F)ccc21 17286904 AHNRENNJPOGPQJ-UHFFFAOYSA-N 376.453 3.570 0 40 GHAB Cc1ccccc1NC(=S)N[C@@H](C)[C@@H](c1cccs1)N1CCN(C)CC1 22456971 LFWPVSNFMSKJIR-LPHOPBHVSA-N 388.606 3.720 0 40 GHAB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)ccc1O 16972318 APWVSSJLYLYSHO-HXUWFJFHSA-N 395.459 3.674 0 40 GHAB COC(=O)c1ccc(-c2csc(NC(=O)c3c(C)nc4ccccn34)n2)cc1 36689006 ZDZRPQXLPZECRG-UHFFFAOYSA-N 392.440 3.805 0 40 GHAB CN(c1ccsc1C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1 44170305 JFGHMKFUIUILNN-UHFFFAOYSA-N 378.519 3.636 0 40 GHAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1cnn(-c2ccccc2)n1 40094213 NYAJNLTUJVXZNU-UHFFFAOYSA-N 389.390 3.524 0 40 GHAB Cc1sc(-c2ccco2)nc1C(=O)NCCNC(=O)c1ccc(Cl)cc1 30762627 HUJQMFKVIHAJKL-UHFFFAOYSA-N 389.864 3.525 0 40 GHAB O=S(=O)(c1cccc(F)c1)N1CCN(Cc2csc3ccccc23)CC1 24828360 SCUWSNKRGBOSFG-UHFFFAOYSA-N 390.505 3.547 0 40 GHAB CCO[C@H]1C[C@@H](NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)C12CCCCC2 78879014 SJAKRCIVKWSBEE-MOPGFXCFSA-N 397.519 3.835 0 40 GHAB COc1ccc(-n2cc(-c3ccccc3)c3c(N4CCOCC4)ncnc32)cc1 1447649 PURSCPWSSIUMTA-UHFFFAOYSA-N 386.455 3.933 0 40 GHAB COCCN(C(=O)c1cccnc1)c1nc(-c2cc(OC)ccc2OC)cs1 4186925 GZFGFLDLEFQZDK-UHFFFAOYSA-N 399.472 3.516 0 40 GHAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccccc1-c1ccccc1 3298125 FAWALSCEXVMGEP-UHFFFAOYSA-N 385.423 3.885 0 40 GHAB COc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 6056892 LSALSIKUCOKPNF-LLVKDONJSA-N 398.242 3.951 0 40 GHAB Cn1nnnc1SCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 7524734 DGVLFSFLGUSJAY-UHFFFAOYSA-N 384.292 3.659 0 40 GHAB CCc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 7928826 NDBVHSBRGPRTPC-AWEZNQCLSA-N 388.261 3.970 0 40 GHAB CC(=O)N1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(C)c3)cc2)CC1 12684832 YHUVKFZWVZVDPG-UHFFFAOYSA-N 399.922 3.955 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCC2)N(Cc1cccs1)C[C@@H]1CCCO1 8059760 GAEVUPHDWWFELW-KRWDZBQOSA-N 377.531 3.607 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1C 8414190 AZXOAJIWIKBPOF-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nnc(C2CCCCC2)s1 44891116 HKNCUNCYZBNMRO-UHFFFAOYSA-N 389.529 3.552 0 40 GHAB COc1ccc(NC(=O)c2nnc(CN(C)[C@H]3CCc4ccccc43)s2)cc1 89364928 XRXMAOGVWKOLCO-SFHVURJKSA-N 394.500 3.918 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20450058 ZXWOPWGZWWMQNP-VAWYXSNFSA-N 390.505 3.755 0 40 GHAB COC(=O)C1(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)CCCCC1 58392136 WQDXPXDMFWPXOS-UHFFFAOYSA-N 392.499 3.855 0 40 GHAB Nc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 28047289 JFRIFFCHKLYUMO-UHFFFAOYSA-N 394.287 3.887 0 40 GHAB CC(=O)N1CCC(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)CC1 10691315 YPVFCFYYOLHQHD-NRFANRHFSA-N 389.499 3.675 0 40 GHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCCn3ccnc3)cc12 28201731 XDHOPQXMTXMIAV-UHFFFAOYSA-N 397.479 3.610 0 40 GHAB CCOc1ccc(-c2nn3c(-c4ccc(OC)c(OC)c4)nnc3s2)cc1 2349075 PIYZJXPMJKREIT-UHFFFAOYSA-N 382.445 3.936 0 40 GHAB COc1cc2c(cc1OC)-c1cc(Nc3ccc(C)cc3C)nc(=O)n1CC2 2368276 DXMVYTFUFSYIBK-UHFFFAOYSA-N 377.444 3.844 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 29489208 QQZZLYRTFFZSCA-VPFXQZGESA-N 378.472 3.821 0 40 GHAB CCOc1cc2c(cc1OCC)CN(C(=O)c1cc3ccccc3[nH]c1=O)CC2 11714412 DZKZZORSYAAPBB-UHFFFAOYSA-N 392.455 3.524 0 40 GHAB O=C(c1ccccc1CCc1ccccc1)N1CCN(c2nccs2)CC1 29986895 WLNKNXNQEDYOMT-UHFFFAOYSA-N 377.513 3.891 0 40 GHAB Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)c1 20611464 JNOIOMYPXUOPTN-UHFFFAOYSA-N 375.266 3.846 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2cc(C)[nH]c2c1=O 57522080 VGEQOUNOXGWBEI-UHFFFAOYSA-N 384.505 3.907 0 40 GHAB CCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2F)cc1 59488987 TZWOKMSYQLJAQM-SFHVURJKSA-N 380.341 3.998 0 40 GHAB O=C(O)[C@H](c1c[nH]c2cc(Cl)ccc12)N1CCN(c2ccc(F)cc2)CC1 12321605 OSUKMUUULYYHGB-IBGZPJMESA-N 387.842 3.908 0 40 GHAB O=C(O)[C@H](c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(F)cc2)CC1 12325127 XKICYFJATVSRIS-IBGZPJMESA-N 387.842 3.908 0 40 GHAB COc1cc(C(=O)CC(=O)CCC(=O)Nc2ccc(Cl)cc2C)ccc1O 104942878 DMJTYNSBBPKLQP-UHFFFAOYSA-N 389.835 3.923 0 40 GHAB COc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)on1 12540812 UZXCQNAIRIVWFC-UHFFFAOYSA-N 379.460 3.681 0 40 GHAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(C(=O)Nc2ccccc2)CC1 12765853 JJNZBGQGGIRSLV-CQSZACIVSA-N 387.430 3.643 0 40 GHAB Cc1ccc(-c2csc(NC(=O)Cn3cnc4sccc4c3=O)n2)cc1C 12781659 VPRWVAGOFPFXEQ-UHFFFAOYSA-N 396.497 3.837 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)N(C)[C@H]2CCc3ccccc32)cs1 48230113 LDWVDFNDNSKPKA-SFHVURJKSA-N 395.484 3.985 0 40 GHAB NC(=O)NCc1ccc(C(=O)N(CCc2ccccc2)Cc2cccs2)cc1 25669559 ZVXWWFADMXZNCB-UHFFFAOYSA-N 393.512 3.802 0 40 GHAB Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc(C)c1C)S(C)(=O)=O 113934392 JGLOEAXGBQHYLP-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB O=C1c2ccccc2N[C@@H](c2cc(Cl)c3c(c2)OCO3)N1C[C@@H]1CCCO1 9368154 DDQLXWCRPQFJKI-ORAYPTAESA-N 386.835 3.814 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)c2C)no1 13075963 CPZHZXSVILZMLP-SJPCQFCGSA-N 398.459 3.512 0 40 GHAB CC(=O)C(C(C)=O)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@@]31N=2 4024146 KUTPZUGYRAXAFK-DVECYGJZSA-N 376.500 3.573 0 40 GHAB biogenic COc1cccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(C(C)C)cc2)c1 5033803 ULJOPAMVVXRYBO-AWEZNQCLSA-N 397.504 3.914 0 40 GHAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccc(C)c1 5045527 BRMIXTPCWXMNKS-UHFFFAOYSA-N 396.472 3.733 0 40 GHAB CCc1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 5025225 NCNUMXXENFDYMY-IBGZPJMESA-N 391.920 3.732 0 40 GHAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1 6175281 IVOVBUISHRSITM-HNNXBMFYSA-N 398.484 3.642 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccs1)N(CCCN(C)C)C3=O 4337807 OPMKPUQAGYVFLJ-SFHVURJKSA-N 382.485 3.660 0 40 GHAB CCc1ccc([C@@H](NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C(C)C)cc1 39981893 OOFPVVKSCLDKER-QHCPKHFHSA-N 389.499 3.981 0 40 GHAB CC(=O)c1cccc(NC(=O)CCCCCn2cnc3ccccc3c2=O)c1 5204716 GUDZVFKANJWQSD-UHFFFAOYSA-N 377.444 3.798 0 40 GHAB COc1ccc2c(C)c(CC(=O)Nc3cccc(Cl)c3)c(=O)oc2c1OC 6660600 INNIQYVVIMCJJG-UHFFFAOYSA-N 387.819 3.953 0 40 GHAB O=S1(=O)C[C@H]2N=C(SCc3cccc(Cl)c3)N(c3ccccc3)[C@@H]2C1 6672133 SHWYUJWGMJVHAW-IAGOWNOFSA-N 392.933 3.615 0 40 GHAB COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc3ccccc3c2)c1 7266789 IMAAKIULQQXCLP-MRXNPFEDSA-N 391.471 3.746 0 40 GHAB Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCCC2)o1 15860245 CWKRXLFFZXZBMT-GOSISDBHSA-N 376.884 3.882 0 40 GHAB O=C(COc1ccc2cc(Br)ccc2c1)NO[C@H]1CCCCO1 72058846 SWWNOXCULOTYKS-KRWDZBQOSA-N 380.238 3.556 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccc(F)cc2F)c1 7717170 KYHVQFAVMCQMTM-SFHVURJKSA-N 376.403 3.758 0 40 GHAB O=C(Nc1cc(CCc2ccccc2)ccn1)[C@H]1CCCN(c2ncccn2)C1 89832447 ODUAAADWUHEUKT-FQEVSTJZSA-N 387.487 3.512 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 8245592 ZFPNLSWHXAADGH-AWEZNQCLSA-N 394.368 3.874 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 8315996 FNPXWPXIMCDDFI-LBPRGKRZSA-N 395.286 3.999 0 40 GHAB CN(Cc1cccs1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 8402646 SUJJDUMIWBPVBN-UHFFFAOYSA-N 389.480 3.779 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 113949617 QPJPFEOYYHVUGE-FXAWDEMLSA-N 388.533 3.725 0 40 GHAB NC(=O)c1c(NC(=O)c2ccc(OC(F)(F)F)cc2)sc2c1CCCC2 8939279 MUMIGADCEPXJLB-UHFFFAOYSA-N 384.379 3.877 0 40 GHAB Cn1ccnc1[C@H](NC(=O)Cc1c(F)cccc1Cl)c1cccc(F)c1 9154120 VMWQYISSKFFVKC-GOSISDBHSA-N 375.806 3.800 0 40 GHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C(=O)OC)c1 24821714 DBSKIPHYNUAYEB-UHFFFAOYSA-N 394.393 3.953 0 40 GHAB O=C(NC[C@@H]1CCCCN1Cc1nc(-c2ccccc2)no1)Nc1ccccc1 30590195 RTWRKPWTYQXISK-IBGZPJMESA-N 391.475 3.913 0 40 GHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O 409097371 NBSRPDJQYFKYDB-PKTIUJEHSA-N 390.244 3.600 0 40 GHAB CCCC(=O)N1CCC(Cc2cccc(-c3ccncc3)c2)(C(=O)NCC)CC1 72345239 HNWJXKVOQUVXBY-UHFFFAOYSA-N 393.531 3.836 0 40 GHAB Cc1ccc(N2C(SCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 32640603 LDDNTKXJECLREG-IEBWSBKVSA-N 386.542 3.578 0 40 GHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccc(Cl)cc1 30845078 FSIXOGNBYYMGKY-FQEVSTJZSA-N 383.879 3.527 0 40 GHAB CC(C)c1ccc(CCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 219141037 WFBQZDVXRMXMBY-UHFFFAOYSA-N 392.499 3.935 0 40 GHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1 30942604 OVZRYJLEILVNOM-UHFFFAOYSA-N 376.460 3.712 0 40 GHAB CC(=O)N1CCC(N2CCC[C@@H](c3nccnc3Oc3ccc(C)cc3)C2)CC1 72363021 GBAWDYWPHGJTRK-LJQANCHMSA-N 394.519 3.768 0 40 GHAB O=C(Nc1ccccc1-c1cccs1)N1CCC2(CCC2)S(=O)(=O)CC1 565293439 AVQSUTLCIUPBDP-UHFFFAOYSA-N 390.530 3.990 0 40 GHAB CCCNC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(Cl)cc2)cc1 224461953 HIBRPVKDBYOXNN-UHFFFAOYSA-N 394.924 3.691 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C 224134135 NWBXDQMBRLYMFK-FQEVSTJZSA-N 382.504 3.626 0 40 GHAB Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3cnc(O)c4ccccc34)C2)s1 569612077 SEZZFQBPJPECLC-MRXNPFEDSA-N 395.528 3.904 0 40 GHAB COc1cc(CNC(=S)Nc2cccc(OC(C)C)c2)cc(OC)c1OC 225574057 YSPHKVQPGFBFEY-UHFFFAOYSA-N 390.505 3.986 0 40 GHAB CCc1cccc(C)c1N(CCCC(=O)NCC1CCCCC1)S(C)(=O)=O 224844238 IWEZVNHPJCOUKQ-UHFFFAOYSA-N 394.581 3.800 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)NC(C)C)cc1 225714583 BRBNHWNRIIKAQJ-JOCHJYFZSA-N 396.531 3.960 0 40 GHAB Cc1ccccc1CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C 225693515 ZONNXRANENDBSC-SFHVURJKSA-N 384.495 3.866 0 40 GHAB S=C(NCc1cccc(CN2CCOCC2)c1)Nc1ccc(Cl)cc1 224756068 MEMQRAKZZUVALZ-UHFFFAOYSA-N 375.925 3.659 0 40 GHAB O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 48358660 MBKYGWQVPPNQJU-LBPRGKRZSA-N 398.875 3.850 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)cc1 223059795 CODVLDMVDAOGMF-IBGZPJMESA-N 388.895 3.581 0 40 GHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(F)c2)c(C)c1 225117233 DSYBIJRJAVKWBN-UHFFFAOYSA-N 395.452 3.535 0 40 GHAB COc1ccccc1[C@H](C)NS(=O)(=O)Cc1ccc(Br)cc1 224411428 QXZWFXNRQJTHBA-LBPRGKRZSA-N 384.295 3.638 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1 223772174 NRWQWDFMWTZEOX-INIZCTEOSA-N 388.508 3.612 0 40 GHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccc(C)cc1 223461619 MFUYYEPPIZTJFF-OAQYLSRUSA-N 398.572 3.824 0 40 GHAB COc1ccc(Cl)cc1-c1nn2c(-c3c(Cl)cnn3C)nnc2s1 95477797 RLDKSCNURLYZBQ-UHFFFAOYSA-N 381.248 3.569 0 40 GHAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C[C@@H](CNc3ccccn3)CO2)C1 96075747 KNVNPAUFSTVXNR-SBUREZEXSA-N 390.487 3.686 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21 96241949 FLNHDTJLHNTPNN-LJQANCHMSA-N 391.515 3.658 0 40 GHAB CCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1OCCC 95945912 GKGMFTUSEDPWIH-UHFFFAOYSA-N 393.461 3.763 0 40 GHAB Cc1nc(-c2ccccc2NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cs1 529094312 OYUKWLKKMXFTFD-PJGQNWHFSA-N 375.519 3.636 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 243782070 QFVXFBOLTZQUKT-UHFFFAOYSA-N 388.533 3.833 0 40 GHAB CCc1onc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1 257211670 BZWGQOSUAIQSJB-SHTZXODSSA-N 395.463 3.694 0 40 GHAB NC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCC2)CC1 257233762 GQPYQLPMBHMEIM-UHFFFAOYSA-N 376.500 3.790 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2nc(O)c3ccc(Cl)cc3n2)C1 27570446 GTIWPGKJSCBHSM-CQSZACIVSA-N 396.878 3.840 0 40 GHAB CC(C)Cc1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)[nH]n1 257199192 WDALTMWEEOLIFO-UDKICSLYSA-N 382.552 3.643 0 40 GHAB Cc1cc(NC(=O)c2csc(-c3ccc(F)cc3)n2)n(C2CCN(C)CC2)n1 531426142 HSQYVHXSQWYOMF-UHFFFAOYSA-N 399.495 3.973 0 40 GHAB C[C@H]1c2sccc2CCN1CC(=O)NCC1(c2ccccc2)CCOCC1 1655479997 AIXCBSMBBYLHHC-KRWDZBQOSA-N 384.545 3.532 0 40 GHAB CN1CCC[C@@H](CCNC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)C1 1675878052 UCGFDMMXMGATPV-KRWDZBQOSA-N 377.492 3.879 0 40 GHAB C[C@@H](O)CNc1nc2ccccc2n1Cc1ncc(Br)cc1Cl 663922085 PLAQZUOPZFXBRM-SNVBAGLBSA-N 395.688 3.688 0 40 GHAB CN(CC1=CCCOC1)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 665783300 AIEJWWXLMQXAAZ-UHFFFAOYSA-N 397.450 3.566 0 40 GHAB O=C(NCCc1nc(-c2cccs2)c[nH]1)C1(c2ccccc2)CCOCC1 90606943 WTLKEPAFFLMOEK-UHFFFAOYSA-N 381.501 3.545 0 40 GHAB O=C(NCCc1ccccc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 1076000245 BIGTZVFWQRWBCF-LUKWVAJMSA-N 379.548 3.834 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)Cc2ccc(Br)cc2)cc1 46929549 JLCZSOPFQFJEPS-UHFFFAOYSA-N 396.262 3.540 0 40 GHAB C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCCC1 408736306 AIUOODAILIWIOW-APWZRJJASA-N 390.524 3.934 0 40 GHAB O=C(NCc1nc2ccccc2n1C1CC1)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 664662827 AESUXVAYOKTHEG-TYCQWZJGSA-N 376.435 3.648 0 40 GHAB CC1(C)C[C@]2(CCCN2C(=O)Cn2cc(Cl)cn2)CN1c1cccc(F)c1 1615126941 PAEOMXDEAVVVRH-HXUWFJFHSA-N 390.890 3.726 0 40 GHAB CCOCCc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)s1 5001140 MMRLZSCWOAEGMO-SECBINFHSA-N 390.292 3.830 0 40 GHAB Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(NCCCN2CCCC2=O)c1C 12113351 GSSHABNJMFWCMS-UHFFFAOYSA-N 395.482 3.885 0 40 GHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)C1 12696334 QGKCXFDPAFCKRK-GASCZTMLSA-N 390.480 3.745 0 40 GHAB COc1ccc(NC(=O)COc2cc3ccccc3cc2C(=O)O)c(OC)c1 13049873 PKKUWICTRKFZFX-UHFFFAOYSA-N 381.384 3.573 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 14249120 BAWCSPBSSDXSPA-UHFFFAOYSA-N 383.455 3.884 0 40 GHAB COc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1S(=O)(=O)N(C)C 14739487 QZWXWJLQRIIHDA-UHFFFAOYSA-N 390.505 3.630 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N(C)Cc2ccccc2C)c1 16352105 ZBIMATNEKUXMAE-OAQYLSRUSA-N 382.504 3.808 0 40 GHAB COc1ccc2c(C)nc(Nc3nc(OC(C)=O)c4ccccc4n3)nc2c1 17076762 OGIBBPSGSNWFHK-UHFFFAOYSA-N 375.388 3.559 0 40 GHAB O=C(NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)c1ccncc1 19340554 SHDUJOKPXAMQMN-UHFFFAOYSA-N 387.418 3.576 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](c2ccc(F)cc2)N(C)C)c(OC)c1 19581587 OYDFBDDHVMLGIT-TZIWHRDSSA-N 386.467 3.809 0 40 GHAB CC(=O)N[C@H]1CN(C)C2(CCN(Cc3ccc(-c4ccc(F)cc4)cc3)CC2)C1 19704238 ALBBLFQEVLPMSI-HSZRJFAPSA-N 395.522 3.668 0 40 GHAB CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1cccc(F)c1)c1ccccc1O2 12274966 JYPVRVGEFMOJOY-XXBNENTESA-N 396.462 3.851 0 40 GHAB CCOc1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)ccc1OCCO 19532274 SSGVEQVEZVUOGM-LJQANCHMSA-N 395.503 3.712 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)c1ccc(OC)cc1)Cc1ccccc1O2 19592005 MPVORIGDIVMYKE-UHFFFAOYSA-N 380.488 3.631 0 40 GHAB Cc1ccc(C)c([C@H]2CCCN2CC(=O)Nc2ccc3c(c2)oc(=O)n3C)c1 19715481 FIDVTQWEFZFMMQ-GOSISDBHSA-N 379.460 3.524 0 40 GHAB COc1cc(C)ccc1CN1CCC(c2cncc(=Nc3nccs3)[nH]2)CC1 2037834712 GLEPVJSPYAHTOG-UHFFFAOYSA-N 395.532 3.795 0 40 GHAB O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Cl)s2)cs1 4496344 LLERAUJWMAJBGB-UHFFFAOYSA-N 398.918 3.937 0 40 GHAB O=C(NCCn1nc(-c2cccs2)ccc1=O)c1cc(Cl)ccc1Cl 8954845 VCADAXHHEHOTBX-UHFFFAOYSA-N 394.283 3.709 0 40 GHAB Cc1ccc2nc(NC(=O)CCCn3nc(-c4ccco4)ccc3=O)sc2c1 11695852 IQKZSYXXWCIULU-UHFFFAOYSA-N 394.456 3.840 0 40 GHAB Cc1ccccc1-c1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)nn1 13666877 OVXRDNQJCQUQPJ-UHFFFAOYSA-N 379.508 3.616 0 40 GHAB COc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(C(C)=O)cc1 15825649 SCFWTNIYLLBAAJ-UHFFFAOYSA-N 395.484 3.873 0 40 GHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(F)cc3)ccc21 17286841 PCSMCYRFGOCDMS-UHFFFAOYSA-N 376.453 3.570 0 40 GHAB O=C(Cc1cc(O)nc(SCc2ccccc2)n1)NCCCc1ccccc1 23138010 JZARCUZIUACNAV-UHFFFAOYSA-N 393.512 3.766 0 40 GHAB O=C([C@@H]1CCCN(c2cccc(C(F)(F)F)n2)C1)N1CCC(F)(F)CC1 2298188682 IBJUOZRJUVQNCY-GFCCVEGCSA-N 377.357 3.575 0 40 GHAB O=C(c1ccc(Br)o1)N1CCN=C1SCc1ccc(F)cc1 4119975 BCUSPMDTSBEHFI-UHFFFAOYSA-N 383.242 3.926 0 40 GHAB COc1cccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)O)c1 6200170 IVDWQORAZAQBEV-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB CCCCCNC(=O)C1CCN(C(=O)CCC(=O)c2ccc(CC)cc2)CC1 40108100 MEBHICGWWUCJLC-UHFFFAOYSA-N 386.536 3.757 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@@H](c2cccs2)N(C)C)n1 40104897 OZHCXHOFQTUXJZ-SFHVURJKSA-N 383.521 3.975 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H](C)SCc3ccccc3)C2)nc1 40145932 CQOUDXLJZFIUHF-PKOBYXMFSA-N 397.544 3.889 0 40 GHAB COC(=O)c1cn(CC(=O)N2CCC[C@H]2Cc2ccccc2)c2ccccc12 30763589 LYKUCKPOBAXPMP-SFHVURJKSA-N 376.456 3.662 0 40 GHAB COc1ccc(CCNC(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1 32794793 WPUDYXXIBQVWOR-UHFFFAOYSA-N 382.382 3.978 0 40 GHAB COc1ccc(OCCn2c([C@H](C)N3CCOCC3)nc3ccccc32)cc1 21523498 MHVKZCPIBJDPED-KRWDZBQOSA-N 381.476 3.517 0 40 GHAB O=C(CSc1ccccc1C(=O)NC1C2CC3CC(C2)CC1C3)NC1CC1 32902591 CQCVWZVJVMIINE-UHFFFAOYSA-N 384.545 3.612 0 40 GHAB CC[C@]1(c2ccc(NC(=O)c3ccc4c(c3)CCC4)cc2)CCC(=O)NC1=O 54198909 OGBJYGQUZDDNBP-HSZRJFAPSA-N 376.456 3.512 0 40 GHAB Cc1nn(C[C@@H](O)Cn2c(C)c(C)c3ccccc32)c(C)c1Br 947994 GAGJAHQNKGFUGK-HNNXBMFYSA-N 376.298 3.895 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)N[C@@H]3CCCOc4ccc(F)cc43)ccc21 54385651 LCOXDFWTRFWMJX-GOSISDBHSA-N 383.423 3.770 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 23973663 IIQDNWOLEANRKK-LJQANCHMSA-N 392.421 3.817 0 40 GHAB CCCC(=O)NC(=S)Nc1ccc(I)cc1Cl 1000660 YIXWNICFTADSBL-UHFFFAOYSA-N 382.654 3.558 0 40 GHAB COc1ccc([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccco2)cc1 1041528 HMYLMANNHRRXRU-UXHICEINSA-N 377.396 3.854 0 40 GHAB CCCCOc1ccc(-c2nnn(CC(=O)Nc3c(C)cccc3C)n2)cc1 2074614 VJOKGESFRGRWBB-UHFFFAOYSA-N 379.464 3.775 0 40 GHAB C[C@@H]1CCc2sc3nc(NCCO)n(-c4ccc(Cl)cc4)c(=O)c3c2C1 2366804 SWHYODJLMHVHOE-LLVKDONJSA-N 389.908 3.630 0 40 GHAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccc2c(c1)OCCO2 2467175 PBNQCIAKDJIDJL-UHFFFAOYSA-N 393.424 3.878 0 40 GHAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)Nc1cc(F)ccc1F 3244831 IYBQSVJLUYMHQH-UHFFFAOYSA-N 375.158 3.649 0 40 GHAB CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 3533907 XDUZTEAXZCRRLD-NRFANRHFSA-N 398.484 3.633 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)c1 3602567 CGVDUDAMNQLGII-UHFFFAOYSA-N 383.429 3.813 0 40 GHAB COc1cc(NC(=O)CSc2ccc(-c3cccs3)nn2)cc(OC)c1 4357925 IYEKVNMIBFWOTO-UHFFFAOYSA-N 387.486 3.953 0 40 GHAB CC[C@@H]1CCC2=NN(C(=O)COc3ccccc3C)[C@](O)(C(F)(F)F)[C@@H]2C1 4677135 PYHQHGLUPUOWLY-HBUWYVDXSA-N 384.398 3.649 0 40 GHAB CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc(F)cc1 4736232 NEIDOJKTVSXHAB-UHFFFAOYSA-N 382.464 3.786 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)C1 5043207 BTIZOWQEVBRTHP-IRXDYDNUSA-N 379.456 3.579 0 40 GHAB Cc1nc(SCC(=O)N2CC(=O)Nc3ccccc32)n(C2CCCC2)c1C 5090096 WLQHVIOOMPKHHK-UHFFFAOYSA-N 384.505 3.692 0 40 GHAB COc1ccc(-c2cn3c(CC(=O)NCc4ccccc4)csc3n2)cc1 5146820 KTMLVRAWYZCDKT-UHFFFAOYSA-N 377.469 3.930 0 40 GHAB COc1ccc(Cl)c2sc(NC(=O)c3cccc(S(C)(=O)=O)c3)nc12 5256642 OWKYTDCRENTFDD-UHFFFAOYSA-N 396.877 3.614 0 40 GHAB Nn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1C1CCCCC1 5257223 KEDQYYAXJFJPCF-UHFFFAOYSA-N 399.442 3.789 0 40 GHAB Cc1cccc(C)c1-n1nnnc1SCC(=O)N[C@@H]1CCCc2ccccc21 5391525 FATSKLGTEFRXRW-GOSISDBHSA-N 393.516 3.565 0 40 GHAB CSc1cccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 5439088 WTYYBVYZRJZIJG-UHFFFAOYSA-N 376.503 3.591 0 40 GHAB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N[C@H](C)c1ccccc1 5966368 JPNGYJJAORCCTF-OLZOCXBDSA-N 397.456 3.823 0 40 GHAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1 6023088 YCLKKYNSWSJCQB-MDWZMJQESA-N 377.488 3.643 0 40 GHAB CCOc1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1 6250163 VZWXARZQAPPTLP-UHFFFAOYSA-N 389.883 3.626 0 40 GHAB Cc1ccc(O)c(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)c1 6680773 VITZYGWCQCEHDW-UHFFFAOYSA-N 394.518 3.579 0 40 GHAB CCCc1nnc(CSc2nnc(-c3ccc(NC(C)=O)cc3)n2CC)o1 7604699 KETXOMMTDFEYOM-UHFFFAOYSA-N 386.481 3.551 0 40 GHAB CCOc1ccccc1NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O 7667421 GTPDQMDZXLFYTE-UHFFFAOYSA-N 383.835 3.845 0 40 GHAB CCCCc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 7872083 HBCXYXHYQMYBOG-OAHLLOKOSA-N 392.496 3.962 0 40 GHAB C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(OCc2ccccc2)cc1 8187028 TUNMHOVYVLMYJT-AWEZNQCLSA-N 395.488 3.706 0 40 GHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)c1 8412400 LPWIEWCNSIETQS-UHFFFAOYSA-N 394.349 3.600 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CCC(=O)c1ccc3c(c1)CCC3)CC2 8428376 DHTZLLLKQWODRI-UHFFFAOYSA-N 393.483 3.740 0 40 GHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NCc1ccc(CN2CCCC2)cc1 8430482 AIHYLIHWZMZBLZ-BQYQJAHWSA-N 398.890 3.994 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)o1 8571629 MAZDBHWAEJBLTH-OAHLLOKOSA-N 383.473 3.927 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2OC)cc1 8917219 SJSLRZHCOOMMCY-ZDUSSCGKSA-N 383.404 3.550 0 40 GHAB O=S(=O)(NCc1cnn(-c2ccccc2)c1)c1cccc(Cl)c1Cl 8982841 XYDJCXHRLSUBRL-UHFFFAOYSA-N 382.272 3.658 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccco1 9355787 CWGHARTULQHNLK-UHFFFAOYSA-N 382.441 3.673 0 40 GHAB COc1ccc(OCc2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 9485435 LCEQWDRZBYFTKL-UHFFFAOYSA-N 389.440 3.989 0 40 GHAB COc1cc(OC)cc(-c2nnc(NC(=O)Cc3ccc(SC)cc3)o2)c1 10252387 OQJYCRPAYWTSDF-UHFFFAOYSA-N 385.445 3.657 0 40 GHAB Cc1cccc(NC(=O)CSc2ccc(NC(=O)c3ccco3)nn2)c1C 11739133 FKJATONYXHGCDU-UHFFFAOYSA-N 382.445 3.670 0 40 GHAB Cc1cc(C)n2nc(C3=CCN(C[C@H](O)c4ccc(Cl)cc4)CC3)cc2n1 12233115 HTZKZMYSQRFSTK-FQEVSTJZSA-N 382.895 3.822 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccncc3)cc2n1 12276527 JHWJWDABEPDKBU-HNNXBMFYSA-N 389.381 3.683 0 40 GHAB CCN(CC)CCn1c(NC(=O)c2cnc3ccccc3n2)nc2ccccc21 12507617 AKRXKPCNIQYAJB-UHFFFAOYSA-N 388.475 3.574 0 40 GHAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(OC(F)(F)F)cc1 12731430 XNRPNMBSEQKOLG-UHFFFAOYSA-N 392.377 3.751 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1Cl 12755402 HTZKWWJXHHPGEK-UHFFFAOYSA-N 385.851 3.673 0 40 GHAB C[C@H]1C[C@H](Sc2nnc(-c3c[nH]c4ccccc34)n2Cc2ccco2)C(=O)O1 12940202 VDIUJCWMUHRSGF-SJCJKPOMSA-N 394.456 3.864 0 40 GHAB COc1ccccc1[C@H](CNC(=O)[C@H]1Cc2ccccc2S1)N1CCCC1 13009239 FPZQQLKLRGQRGH-GHTZIAJQSA-N 382.529 3.665 0 40 GHAB Cc1sc(NC(=O)c2cccc(-n3cnnn3)c2)nc1-c1ccc(Cl)cc1 13010815 VCFSEIQPQQKXBV-UHFFFAOYSA-N 396.863 4.000 0 40 GHAB CCOC(=O)c1c(C)oc2nc(COc3ccc(Cl)cc3Cl)[nH]c(=O)c12 13121424 IMCUFYRCEKGRKD-UHFFFAOYSA-N 397.214 3.887 0 40 GHAB CCC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 13955169 UOKDBJSCYBFXFG-KRWDZBQOSA-N 394.427 3.602 0 40 GHAB C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1ccc(Cl)cn1 14016425 CXZHRVILTBWOSA-SNVBAGLBSA-N 393.925 3.635 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)ccc12 14115452 WUKLWULEVOOTRG-UHFFFAOYSA-N 384.819 3.513 0 40 GHAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccccc1OCc1ccc(F)cc1 14181187 KUOMSCDLFFXFDC-UHFFFAOYSA-N 389.390 3.837 0 40 GHAB CN(CC(=O)Nc1ccccc1-c1cccs1)S(=O)(=O)c1cccs1 14704929 OOPYSSNKRXQPHU-UHFFFAOYSA-N 392.527 3.736 0 40 GHAB COc1ccc(SCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 15519787 NUIFOHALEBJZPI-VMPITWQZSA-N 382.529 3.645 0 40 GHAB CC[C@H]1c2ccsc2CCN1CC(=O)N(C)CC(=O)Nc1c(C)cccc1C 15547446 XTSOAPCEGJBMQR-SFHVURJKSA-N 399.560 3.771 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 15632583 BISPOYGQXRWRFD-CQSZACIVSA-N 386.835 3.508 0 40 GHAB CC(C)NC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CSc2ccccc2)on1 15673498 XJCNJLHHTYJATA-IRXDYDNUSA-N 387.549 3.650 0 40 GHAB biogenic,in-vitro Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1Cc1ccccc1Cl 16045351 OEHZPJUBCBJICU-UHFFFAOYSA-N 398.846 3.535 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2C)c1 17355622 NJYPVGHZJXXZMC-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1 18131475 SPHHCQKWDFWYAZ-FQEVSTJZSA-N 386.517 3.645 0 40 GHAB CCOc1ccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1OC 18827617 RARIFKHYYZJMAR-UHFFFAOYSA-N 389.448 3.691 0 40 GHAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1ccc(Cl)cc1Cl)C2 19293019 ZVOQSRWGGYEMNP-UHFFFAOYSA-N 387.270 3.697 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3cnc(C)nc3)cc2n1 19522353 VHZGMIZAINPOMD-INIZCTEOSA-N 390.413 3.746 0 40 GHAB O=C(Nc1nnc(C2CCCCC2)s1)C1CCN(CCc2ccccn2)CC1 19661189 YDKSHOXIVXPGFS-UHFFFAOYSA-N 399.564 3.874 0 40 GHAB Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(C)nc4onc(C)c34)n2)c1 19662702 IQHCCJIGAPEWKS-CYBMUJFWSA-N 377.404 3.689 0 40 GHAB CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)C[C@@H]4C=CCC4)CC3)nc21 19739254 RBOCPQMYFMDPAV-QGZVFWFLSA-N 396.535 3.537 0 40 GHAB CSc1nnc(-c2nnn(Cc3ccc(Cl)cc3)c2N)n1-c1ccccc1 19897430 IJMPIXSBZIYRKE-UHFFFAOYSA-N 397.895 3.532 0 40 GHAB CCCCCn1c(=N)n(C[C@H](O)COc2ccccc2OC)c2ccccc21 20292973 WOFILWXIKKUJDP-KRWDZBQOSA-N 383.492 3.561 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)c(OC)c1 21596137 UMAYKNOVMNJVQC-UHFFFAOYSA-N 381.457 3.687 0 40 GHAB CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 21873503 RFGZTVPEILNJDL-NRFANRHFSA-N 393.487 3.778 0 40 GHAB O=C(Nc1cccc(-n2cnnn2)c1)c1cn(Cc2ccccc2)c2ccccc12 27228927 IYPJJPRTFSDAIH-UHFFFAOYSA-N 394.438 3.918 0 40 GHAB COc1ccc(-c2nc(CCNC(=O)COc3cccc(C)c3)cs2)cc1 27993769 YKWXTKLIZQSHAL-UHFFFAOYSA-N 382.485 3.865 0 40 GHAB Cc1ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c(C)c1 28535676 NGDVGLJFJNGALU-UHFFFAOYSA-N 387.896 3.658 0 40 GHAB COc1cc(NC(=O)CN2CCCSc3ccccc32)cc(OC)c1OC 32511355 RCWQTBVSWZTEET-UHFFFAOYSA-N 388.489 3.653 0 40 GHAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)C1=Cc2ccccc2OC1 32820808 DWJFUHAHOOWGIJ-UHFFFAOYSA-N 382.891 3.897 0 40 GHAB COc1cccc(-c2cc(C(F)(F)F)nc(NCCn3nccc3C)n2)c1 36618612 NYAXDORXYQNBSI-UHFFFAOYSA-N 377.370 3.788 0 40 GHAB CCCn1cc(CN(C)c2nc(-c3cnn(CC)c3C)cc(C(F)F)n2)cn1 36618620 WPMLCASGXDNMHT-UHFFFAOYSA-N 389.454 3.849 0 40 GHAB O=C(CSc1ccc(F)cc1)Nc1cccc(-c2ccc3nncn3n2)c1 38486298 DNLFPLYEUCPMSG-UHFFFAOYSA-N 379.420 3.661 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 38851858 MDULKIRJYZNTNK-GOSISDBHSA-N 384.451 3.771 0 40 GHAB C[C@H](C(=O)NCC1CCCCC1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105922 RBBZCWZTBSQDOD-GFCCVEGCSA-N 392.348 3.993 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 40106656 OOGXPSBYTPOLOX-INIZCTEOSA-N 396.468 3.893 0 40 GHAB CC(=O)Nc1ccc(CC(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)cc1 40107125 VNSDVODHGXWLES-GOSISDBHSA-N 393.531 3.736 0 40 GHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccc(OCCn3cncn3)c2)o1 40139146 IHYZULRBGAFCGS-LIUHNWLGSA-N 378.432 3.725 0 40 GHAB Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 40145200 OBWVKVZSPHIXQS-AWEZNQCLSA-N 399.516 3.842 0 40 GHAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O 40478512 LPGINIZEEPQXHF-UHFFFAOYSA-N 393.487 3.527 0 40 GHAB O=C(CCn1nc(-c2cccc(Cl)c2)ccc1=O)NCCCc1ccccc1 41253669 PVWACGNLWHRHME-UHFFFAOYSA-N 395.890 3.703 0 40 GHAB COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 42402486 GVIOVSBICCRZLE-AWEZNQCLSA-N 395.459 3.811 0 40 GHAB O=C(CSCc1ccccc1)NCC1CCN(C(=O)Oc2ccccc2)CC1 43983494 PBVLXKNBWYVBRN-UHFFFAOYSA-N 398.528 3.947 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc1OC 47212152 SQERAMGKYUUHPG-UHFFFAOYSA-N 386.429 3.692 0 40 GHAB CCCCNC(=O)c1sccc1S(=O)(=O)N(C)c1ccc(Cl)cc1 48991327 LITNWAQOFUNQAF-UHFFFAOYSA-N 386.926 3.757 0 40 GHAB CN(Cc1cccc(Cl)c1Cl)C(=O)CCn1ncc(=O)c2ccccc21 52937126 ZGRWLZIIAJNSEE-UHFFFAOYSA-N 390.270 3.752 0 40 GHAB CCSCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc1 55247046 WKVAIKGIFYRXLG-HNNXBMFYSA-N 375.519 3.640 0 40 GHAB O=S(=O)(Cc1ccc(F)cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 55508880 GJYHFADORLJIQN-UHFFFAOYSA-N 396.915 3.563 0 40 GHAB C[C@H]1Sc2ccc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)cc2NC1=O 57840472 OIVIYVSHRSPZQP-CYBMUJFWSA-N 380.469 3.754 0 40 GHAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2O)CC1 58158787 PIWZIGIDGOYHMB-CYBMUJFWSA-N 394.302 3.848 0 40 GHAB Clc1ccc(CSc2nnc(N3CCOCC3)s2)c2ncccc12 58168705 RXYIMXXGZJQZOM-UHFFFAOYSA-N 378.910 3.869 0 40 GHAB CCCN(C(=O)/C=C/c1cccc(OC)c1OC)[C@@H](C)C(=O)Nc1ccccc1 58172032 MBPPFJQEAYCVTB-ZWKQNVPVSA-N 396.487 3.983 0 40 GHAB Cc1cc(C)c(NC(=O)COC(=O)c2cc(C)nc3[nH]nc(C)c23)c(Cl)c1 58194915 XMWBLCSALAAZKR-UHFFFAOYSA-N 386.839 3.640 0 40 GHAB O=C(Nc1ccc(Cc2ccncc2)cc1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 58289441 FOKNGFNSEVCHOM-SZPZYZBQSA-N 395.503 3.864 0 40 GHAB CC(C)(C)OC(=O)C[C@@](NC(=O)OCc1ccccc1)(C(=O)O)C(C)(C)C 64219530 ZHGNHTWIPSVANW-HXUWFJFHSA-N 379.453 3.514 0 40 GHAB O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(c(C(=O)O)cn2-c2ccc(F)cc2)N1 66087844 HVTMBIFIUFZFCC-CQSZACIVSA-N 394.358 3.517 0 40 GHAB CSc1nc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c2ccccn12 67789832 YGIUABKUZKAESG-UHFFFAOYSA-N 394.500 3.935 0 40 GHAB Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3nc4ccccc4n3C)n2)cc1 67898692 RNBNHEYZJJINKF-NRFANRHFSA-N 387.487 3.845 0 40 GHAB biogenic,in-vitro CCN(CC)C(=O)CN1CCC[C@@H]1c1cc(Nc2ncc(C)s2)cc(C)n1 72372478 JXKFMORYZAPRSB-GOSISDBHSA-N 387.553 3.904 0 40 GHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)c2ccc3nsnc3c2)C1 77200223 NIJZYGQSGIXUPZ-JKSUJKDBSA-N 396.472 3.981 0 40 GHAB CC(C)CN(CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C1CCN(C)CC1 95446709 JTPWPOUIQSBTPL-UHFFFAOYSA-N 394.625 3.810 0 40 GHAB CCS(=O)(=O)c1ccc(CC(=O)O[C@@H](CC(C)C)c2ccccn2)cc1 95966397 QODDCTCKDYFYDJ-IBGZPJMESA-N 375.490 3.748 0 40 GHAB O=C(C1CCOCC1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 96038192 IPMULAWFDHIOSE-UHFFFAOYSA-N 390.487 3.529 0 40 GHAB Cc1cc(NC(=O)c2ccc(Br)o2)cc2c1N(C)C(=O)C2(C)C 96182167 VMAXLUSMDLMEJZ-UHFFFAOYSA-N 377.238 3.857 0 40 GHAB CC(C)CC(=O)N1CCC2(CC1)C[C@H](CC(=O)NC(C)C)c1ccccc1O2 96243093 RNBPMJKOKQPCEX-SFHVURJKSA-N 386.536 3.875 0 40 GHAB O=S(=O)(c1cccs1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 96261325 HTHCZLLLRYZHEN-ZWKOTPCHSA-N 377.531 3.549 0 40 GHAB C[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(C1CCCCC1)CC2 96319726 JCOVILCFVSITPQ-QKYXUNIQSA-N 398.551 3.583 0 40 GHAB O=C(Nc1cc(F)ccc1F)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97994324 FELBSFQDLWGUOA-LDADJPATSA-N 393.353 3.848 0 40 GHAB O=C(c1cc(Cl)ccc1F)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211696 VGDXKKXOWZCTOG-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB CC(C)c1nccn1CCC(=O)N1[C@H]2CC[C@H]1[C@]1(CC(=O)c3ccccc3O1)C2 100209981 YUACNKKVROKUAE-ITSWEJNFSA-N 393.487 3.564 0 40 GHAB O=S(=O)(c1cccs1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207018033 XKKHVRUBICOMPM-LBPRGKRZSA-N 395.531 3.503 0 40 GHAB CN1CCC(Oc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 219207988 NJXGTWSDYISXLE-UHFFFAOYSA-N 393.487 3.539 0 40 GHAB CCOc1ccccc1NC(=O)[C@H](CC)N(c1cccc(C)c1)S(C)(=O)=O 220496051 FNHHLXDFVUPEDE-SFHVURJKSA-N 390.505 3.577 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 222946685 FJQAOJUEUMSOBB-QFIPXVFZSA-N 380.532 3.912 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccccc1 223224829 LSZXACLVHYFPOM-HXUWFJFHSA-N 386.467 3.538 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 225384074 ZEPMILOAMQKPME-RTBURBONSA-N 396.531 3.960 0 40 GHAB Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225468109 RZFZDQGULBKNLE-IBGZPJMESA-N 382.504 3.624 0 40 GHAB CCOc1cccc(NC(=S)N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)c1 225724593 RXZCBVBMAMCVPI-SFHVURJKSA-N 392.546 3.927 0 40 GHAB O=C(c1cccc2ccccc12)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 252538039 MOIONMYZTUDQCC-UHFFFAOYSA-N 389.842 3.700 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 257310200 UECIXXDNSDRXRE-CBGDNZLLSA-N 383.467 3.634 0 40 GHAB COc1ncccc1C(=O)N1CCC(c2ccnc(-c3c(C)noc3C)c2)CC1 257317503 VJZIWTZEFSUFCY-UHFFFAOYSA-N 392.459 3.777 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(Cc3nccn3C(C)C)C2)ncn1 257344856 ZYWWUASIIAXODP-SFHVURJKSA-N 394.523 3.981 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3ccccc3F)C[C@H]2N1Cc1ccc(F)cc1 306133143 MDFHYBHMORGBEX-FCHUYYIVSA-N 393.437 3.848 0 40 GHAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CN(Cc3ccccc3F)C[C@@H]21 306137118 QLYNBRQTCOZIBL-UGKGYDQZSA-N 394.471 3.643 0 40 GHAB Cc1cccc(C(=O)N2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 306142839 XMDBZMFWVFQAQQ-HXUWFJFHSA-N 383.455 3.729 0 40 GHAB CCc1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2C)cc1 408708524 JMBXRSOOBYDYBI-UHFFFAOYSA-N 375.266 3.575 0 40 GHAB CCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 408710315 WWARUPMJWYXZIH-UHFFFAOYSA-N 395.503 3.560 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1OC 409384062 YYVODVQECSLMII-ACCUITESSA-N 385.416 3.541 0 40 GHAB O=C(CSc1n[nH]c(COc2ccccc2F)n1)Nc1cccc(Cl)c1 409387003 YMNKFJFRNOEIPE-UHFFFAOYSA-N 392.843 3.907 0 40 GHAB Cc1c(NC(=O)Nc2cn(C)nc2C2CCCCC2)cnn1C1CCOCC1 519584217 KANMIHZVWDUKQU-UHFFFAOYSA-N 386.500 3.968 0 40 GHAB CC(C)(C)c1ccc(=O)n(CC2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)n1 585499085 BZHARFDRITUPTN-UHFFFAOYSA-N 392.503 3.575 0 40 GHAB O=C(CC1CCC(C(F)(F)F)CC1)N[C@@H]1CS(=O)(=O)Cc2ccccc21 623003651 SLYPTCGAXXYHHI-LDZOIKDWSA-N 389.439 3.531 0 40 GHAB Cc1ccc(-c2cnc(NC(=O)N[C@@H]3CCO[C@H]3c3nccn3C)s2)c(C)c1 623089371 FDVQBSZAGATVFE-NVXWUHKLSA-N 397.504 3.812 0 40 GHAB O=C(NCC1(c2ccccc2)CCOCC1)N1CCC[C@H]([C@@H]2CCCCO2)C1 660423267 OLVPUMRUDSPLFT-FPOVZHCZSA-N 386.536 3.726 0 40 GHAB OC1CCN(Cc2ccc(CNc3cc(Cl)c4ncccc4n3)cc2)CC1 663548524 BOMDOLJWZNHQIV-UHFFFAOYSA-N 382.895 3.852 0 40 GHAB O=C(N[C@@H](CC1CCCCC1)C(=O)O)c1cccc(OCc2cccnc2)c1 1601415046 JFNBFRMAGUCXKH-FQEVSTJZSA-N 382.460 3.814 0 40 GHAB CCc1nccn1CCC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615159203 OSOXNKPLOMZIMA-XLIONFOSSA-N 398.526 3.881 0 40 GHAB CCc1ncnc(N2CCCN(c3nc4c(OC)cccc4s3)CC2)c1F 1888913470 YFFDFLRCKICMAS-UHFFFAOYSA-N 387.484 3.513 0 40 GHAB Cc1oc(-c2ccccc2)nc1Cn1ccn(CCC2=CCCCC2)c(=O)c1=O 1888916381 IWCBZIKQUNISNZ-UHFFFAOYSA-N 391.471 3.912 0 40 GHAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)C1 1889110036 LQXYBQDZOZSJCS-GFCCVEGCSA-N 377.357 3.573 0 40 GHAB Cc1nc(C(=O)N2CC[C@]3(COc4ccc(-c5cccnc5)cc43)C2)cs1 2055785149 NRUZQPSTXOTPTL-OAQYLSRUSA-N 377.469 3.690 0 40 GHAB NC(=O)c1ccsc1NC(=O)CCSc1ncc(-c2ccc(F)cc2)o1 10848758 SCNSNPHFMTYGEV-UHFFFAOYSA-N 391.449 3.762 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(F)c1)N(c1nncs1)C3=O 2418265 SZYBTEOBKWUPKE-MRXNPFEDSA-N 393.399 3.842 0 40 GHAB O=c1[nH]c(CSc2nc(NC3CC3)c3ccccc3n2)nc2ccsc12 31784599 FBFXJLYMKHNFDZ-UHFFFAOYSA-N 381.486 3.794 0 40 GHAB CSc1nc(N2CCNCC2)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2403024 UVBTUKOCKOHQOF-UHFFFAOYSA-N 399.589 3.983 0 40 GHAB CCC(=O)N(Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2n2nnnc12 4879974 BCELYMUNAZPZBV-UHFFFAOYSA-N 391.450 3.972 0 40 GHAB Cc1nc(N2CCc3ccccc32)c2nnn(Cc3ccccc3Cl)c2n1 4922206 AOIBNDWKWSJFPR-UHFFFAOYSA-N 376.851 3.926 0 40 GHAB COc1ccc(/C=C/C(=O)NCCSCc2ccccc2)c(OC)c1OC 6646297 KRHAEJRBPNKKOF-ZRDIBKRKSA-N 387.501 3.775 0 40 GHAB CCc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 7669752 DDMCCBBTWFCNLF-SFHVURJKSA-N 392.908 3.694 0 40 GHAB O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1cc(F)c(F)c(F)c1 2514759 YBDPEZAEZVOVTO-UHFFFAOYSA-N 391.389 3.674 0 40 GHAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@@H]1CCCc2ccccc21 8126979 CKSWHMSJEFMBNE-QGZVFWFLSA-N 397.544 3.674 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)[C@H](C)S(=O)(=O)Cc1ccccc1C(F)(F)F 109033392 GEMHHPVBFHHPKK-HEHGZKQESA-N 391.455 3.704 0 40 GHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)c(O)c(C)c3)C2=O)c1 106372354 HEMUHPISRCGICX-YVLHZVERSA-N 396.468 3.992 0 40 GHAB CCC[C@H]1[C@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@H]2ON1c1ccccc1 101146500 DYGSNVAEYHBMBN-SXLOBPIMSA-N 380.444 3.564 0 40 GHAB COc1cccc([C@@H]2C=C(c3ccc(C(C)C)cc3)Nc3nnnn32)c1OC 102048026 QIPWOQHGSZLIJU-SFHVURJKSA-N 377.448 3.870 0 40 GHAB Cc1cc(C)cc(C(=O)N/C(=C2\N=C(c3ccccc3)OC2=O)c2ccncc2)c1 104264826 IVLSPAWWKRXCIE-MRCUWXFGSA-N 397.434 3.801 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3c(C)cccc3C)n2)cc1OC 9061604 FLJMUOVWMSUSDE-UHFFFAOYSA-N 381.432 3.942 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCCSCc1ccco1 32809081 OZOCYZISHZTRMA-UHFFFAOYSA-N 384.505 3.815 0 40 GHAB Cc1cc(NC(=O)CN(C)C(=O)[C@H](Sc2ccccc2)c2ccccc2)no1 32841905 KPYYNEZGRDIRLB-HXUWFJFHSA-N 395.484 3.914 0 40 GHAB Cc1ccc(-n2ncc([C@@H](C)NC(=O)[C@H](C)NC(=O)c3cccs3)c2C)cc1 32827895 UPCNXUOWYWKQOE-CABCVRRESA-N 396.516 3.546 0 40 GHAB COc1cc(CNC(=O)COc2ccccc2C(C)(C)C)cc(OC)c1OC 9888090 VKRWBXXZRRFYEC-UHFFFAOYSA-N 387.476 3.705 0 40 GHAB CC(C)c1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccccc3)n2)cc1 41255203 PROFQEIJSJIKBU-UHFFFAOYSA-N 375.472 3.740 0 40 GHAB CCc1ccc(CNC(=O)CCn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 41254951 CQMONUPBIADHSM-UHFFFAOYSA-N 389.499 3.796 0 40 GHAB Cc1nc(COc2ccc(C(=O)OCc3cccc4cccnc34)cc2)no1 12077565 QVQXADPHBKLTAR-UHFFFAOYSA-N 375.384 3.862 0 40 GHAB N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(-c4nnn[nH]4)c3)c2)cc1 103065644 MDIFEQVFZJULJA-UHFFFAOYSA-N 382.383 3.783 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2C(=O)N[C@]34CCCC[C@H]3[C@@H]2c2ccccc2O4)c1 105367667 SPSIPKWKABOJQM-YPIYEQTHSA-N 376.456 3.742 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)N2C(=O)CCSC2=N1 702243 PSUBQEFDIOQWAP-MRXNPFEDSA-N 378.881 3.942 0 40 GHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1cccc(C)c1 812093 AQZWFAHXLRZPAK-UHFFFAOYSA-N 380.400 3.866 0 40 GHAB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccccc3)C[C@@H]21 810607 CRAYIXYYUPZUNM-FQEVSTJZSA-N 391.471 3.577 0 40 GHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)ccc3O)C2=O)o1 107893828 JKTLUYBCNMIYOU-VGOFMYFVSA-N 393.804 3.662 0 40 GHAB COC(=O)c1cccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)cc3)C2=O)c1 938503 KWQDQSFWNCLIPQ-UHFFFAOYSA-N 391.210 3.562 0 40 GHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NC[C@@H]1CCCO1 42864411 KQDCAGMUSHMYGJ-UZLBHIALSA-N 381.476 3.820 0 40 GHAB CCOC(=O)c1c(NC(=O)c2cc(C)nc3c2c(C)nn3C)sc(C)c1C 24359009 YDDNFEVLRBQPFE-UHFFFAOYSA-N 386.477 3.692 0 40 GHAB CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3ccc(S(C)(=O)=O)nc3)cc2C1 89642970 ALZWBACUBDUGNT-CYBMUJFWSA-N 392.546 3.950 0 40 GHAB Cc1noc(C)c1CSCC(=O)Nc1cc2c(cc1Cl)OCCCO2 23042505 GJPWBGNSPRJKIT-UHFFFAOYSA-N 382.869 3.978 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CN[C@@H](C)c2ccccc2Cl)c(C)c1 25058663 HWORHVSDMRWJOS-INIZCTEOSA-N 387.911 3.671 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 25055461 VNMIHXXIOIVBHA-UHFFFAOYSA-N 383.835 3.774 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)/C=C/c1ccccc1OC(F)F 24992101 PVQUGNUEBPCQIV-UJGDBWEASA-N 386.398 3.931 0 40 GHAB Cc1cc(NC(=O)N[C@@H]2CCOc3c(Cl)cccc32)n(-c2ccccn2)n1 56580511 VLNJKFFHCDWKDF-OAHLLOKOSA-N 383.839 3.874 0 40 GHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc2c(c1)OCO2 26066518 YFIYDQXFZSHPHZ-UHFFFAOYSA-N 384.413 3.561 0 40 GHAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nc(C4CCCC4)n[nH]3)ccc21 12552543 MHUPVKCXUGDSRE-GFCCVEGCSA-N 384.505 3.735 0 40 GHAB CCCCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C)cc1 57521625 CJFOMQKHPNDOII-UHFFFAOYSA-N 384.505 3.643 0 40 GHAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1cccc(Br)c1 3262179 ACLQXHIMPOXSEA-UHFFFAOYSA-N 385.217 3.793 0 40 GHAB CCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2)C1=O 2095391 OYZRSSFZJCMFLQ-REWPJTCUSA-N 387.483 3.653 0 40 GHAB biogenic CC(C)(C)c1ccc(C[S@](=O)CC(=O)N2CCc3sccc3C2)cc1 58086993 QMCDTWYSMSJAFF-RUZDIDTESA-N 375.559 3.879 0 40 GHAB Cc1cc(C)nc(SCc2nn3c(Cc4ccccc4C)nnc3s2)n1 2182916 QXTVVNWZROJDBS-UHFFFAOYSA-N 382.518 3.784 0 40 GHAB COc1ccc(OC)c(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)c1 408815597 XHBQQQBGGANVAG-UHFFFAOYSA-N 385.465 3.784 0 40 GHAB COc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc(OC)c1C 27917704 FCQFWDJUGUJFFO-UHFFFAOYSA-N 382.460 3.891 0 40 GHAB COc1ccccc1[C@H](CNC(=O)COc1cc(C)c(Cl)c(C)c1)N(C)C 27989931 MCADGRRTDDTVKF-SFHVURJKSA-N 390.911 3.763 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N(C)[C@H](C)c3ccc(F)cc3)ccc21 10519724 DOPVJIOSAFWAHG-CQSZACIVSA-N 390.480 3.507 0 40 GHAB COc1cc(OC)c2[nH]c(C(=O)NCc3ccc(-c4ccn[nH]4)cc3)cc2c1 48286773 HTHMHZQEKHZAHV-UHFFFAOYSA-N 376.416 3.505 0 40 GHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(-c2ccccc2F)o1 48265250 GPKHOMXWXIXBOQ-UHFFFAOYSA-N 383.404 3.656 0 40 GHAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1c(-c2ccccc2)[nH]c2ccccc12 12816505 KSRACDFKTYPFNS-CALCHBBNSA-N 384.435 3.969 0 40 GHAB Cc1cc(C)cc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1 12875700 HAEHUDYTWPINLV-UHFFFAOYSA-N 378.519 3.792 0 40 GHAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)Cn1nc(C)c2ccccc2c1=O 13023488 CJDXDUYZKOMHHB-SFHVURJKSA-N 380.488 3.751 0 40 GHAB CCOc1ccccc1C1=N/C(=C\c2csc(-c3ccccn3)n2)C(=O)O1 49833297 COSAULQITUCRNC-WJDWOHSUSA-N 377.425 3.948 0 40 GHAB CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1 8252338 SOCWNAVEDOIFNL-ZDUSSCGKSA-N 398.532 3.533 0 40 GHAB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 4318600 WTLSDSRFQLEALL-QGZVFWFLSA-N 398.311 3.823 0 40 GHAB C[C@H]1CN(C(C)(C)CNc2nc(-c3cccnc3)nc3ccccc23)C[C@@H](C)O1 14070766 AJMSMJPUCKYWGA-CALCHBBNSA-N 391.519 3.992 0 40 GHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1 65621629 BIMPPBRMARZGCD-YPTLYQBQSA-N 380.488 3.936 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)N2c3ccccc3C[C@@H]2C)c(OC)c1 14249619 VWEANBTXIRWGNR-KKSFZXQISA-N 380.488 3.819 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCC(=O)c1ccc(Cl)cc1 4680241 HZGCVKOLYNHNQC-UHFFFAOYSA-N 388.803 3.500 0 40 GHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)CCC(C)C 20151355 BMCQUSDDMWEDNS-UHFFFAOYSA-N 376.478 3.697 0 40 GHAB COc1ccccc1[C@H]1N=C(Nc2ccc(C)cc2C)Nc2nc(C)cc(=O)n21 4747328 OTQFPASVEPOEFB-FQEVSTJZSA-N 389.459 3.618 0 40 GHAB O=C1C[C@H](N2CCC(CCc3ccccc3F)CC2)C(=O)N1c1ccc(F)cc1 4772634 XLDZHNJQBGAPOB-NRFANRHFSA-N 398.453 3.942 0 40 GHAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N(C)Cc1ccc(C)cc1 6786589 ZHVJLKLGZLANDN-FQEVSTJZSA-N 384.545 3.814 0 40 GHAB CCOc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)cc1 6737141 MJDUOBBOEQPRCD-UHFFFAOYSA-N 382.489 3.517 0 40 GHAB O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)[C@H]1CCCN1c1nccs1 69963087 SQBDBRDOIWPHRK-HZPDHXFCSA-N 393.459 3.907 0 40 GHAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 4814766 WBPCVBGSMILQGC-ZDUSSCGKSA-N 387.534 3.773 0 40 GHAB COc1cc(NC(=O)c2oc3ccccc3c2C)c(C(=O)N(C)C)cc1OC 25218236 FEYXHMTVPPVNLF-UHFFFAOYSA-N 382.416 3.713 0 40 GHAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC)=C(C)N2 6952823 PSLKDQXKAXQVNU-ZDUSSCGKSA-N 391.880 3.540 0 40 GHAB CCN(C(=O)[C@H](C)OC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 7197899 LZYFBFAMDRQIOQ-LAUBAEHRSA-N 397.471 3.843 0 40 GHAB CCCCc1noc(CN2CCC3(CC2)C[C@@H]3c2nc(-c3cccnc3)no2)n1 71890636 PVCNTEXGTWERJD-MRXNPFEDSA-N 394.479 3.627 0 40 GHAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(NC(C)C)s2)c1C 9052516 MCTCEYYKPQOVFS-LBPRGKRZSA-N 382.555 3.959 0 40 GHAB CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2CC)c1C 71326992 YOUUGBZGSZQWBN-UHFFFAOYSA-N 391.475 3.602 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCCOc2cccc(C)c2)c2ccc(Cl)cc21 9319525 JEWJNACEORLFIR-OAQYLSRUSA-N 387.863 3.631 0 40 GHAB CC(C)CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9421120 WWIVVDIYTSEGQN-KBPBESRZSA-N 392.935 3.554 0 40 GHAB COc1ccc(CN2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1 19889445 OXSJVWMBJSNRGC-UHFFFAOYSA-N 390.483 3.572 0 40 GHAB CCc1ccccc1NC(=O)CNC(=O)c1cnc(SC)n1-c1ccccc1 9858230 DKGNLCTWRHRZCS-UHFFFAOYSA-N 394.500 3.525 0 40 GHAB Cc1csc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)CCCC2)n1 79033756 YEDBTSDXXLHFIL-UHFFFAOYSA-N 382.489 3.520 0 40 GHAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)NC3CCOCC3)[C@H]2c2cccs2)cc1 95364829 AGMORENQKQMWHV-NQIIRXRSSA-N 398.528 3.836 0 40 GHAB C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 95459406 MVFJUGNVFIJGDN-INIZCTEOSA-N 397.500 3.916 0 40 GHAB O=C(Nc1cc(CSCCO)ccn1)c1ccc(F)c(COCC2CC2)c1 95979248 CDVNGVMBLOWYDD-UHFFFAOYSA-N 390.480 3.625 0 40 GHAB C[C@H](Cc1ccsc1)N(C)C(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 176141400 YZXALZFCIYOTCW-OAHLLOKOSA-N 395.484 3.964 0 40 GHAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1CCCOc1ccc2c(c1)OCO2 60269178 XUIMCABUVCFFTC-MRXNPFEDSA-N 392.496 3.563 0 40 GHAB O=C(Nc1ccc(I)cc1)C(C(F)(F)F)C(F)(F)F 3188836 YMTXXYSUSWWRLK-UHFFFAOYSA-N 397.056 3.971 0 40 GHAB biogenic C[C@@H](C(=O)Nc1cccc(NC(=O)Cc2ccccc2Cl)c1)n1cccn1 32832818 IHZYYHOLWROWMU-AWEZNQCLSA-N 382.851 3.917 0 40 GHAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(C(=O)O)c1 35684315 IUUNWJPSJTVAGH-MRXNPFEDSA-N 390.399 3.728 0 40 GHAB CN(C)[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1cccn1C 38674726 MCSKZPAIQGXWGA-LJQANCHMSA-N 375.472 3.682 0 40 GHAB COc1cc([C@H]2CC(=O)Nc3ncn(-c4ccc(F)cc4)c32)cc(OC)c1OC 66091725 AHEUNHUGGBVVDO-OAHLLOKOSA-N 397.406 3.511 0 40 GHAB CCSc1nnc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)s1 224610172 PDJJQFABPTYJTN-UHFFFAOYSA-N 384.335 3.899 0 40 GHAB CC(C)c1ccc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 44883483 HZESZAXQAKFLCU-UHFFFAOYSA-N 394.924 3.807 0 40 GHAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1 224486631 OAYQNXMUCWHZOG-HXUWFJFHSA-N 380.532 3.851 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223807525 AYVMIIPLFYDQQM-LJQANCHMSA-N 394.515 3.850 0 40 GHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 223684281 HMQVIMLXOOKEBQ-UHFFFAOYSA-N 383.853 3.635 0 40 GHAB COc1cccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 223745599 HPDLBTTVTQRLIF-UHFFFAOYSA-N 375.490 3.620 0 40 GHAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2CC(=O)N2CCCCCC2)CC1=O 82086505 YTPJYEFUMISEHZ-QGZVFWFLSA-N 396.535 3.553 0 40 GHAB Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)N(C)Cc1cn2c(n1)CCCC2)CC3 581406188 QIFINCGHAMJWDX-INIZCTEOSA-N 391.519 3.708 0 40 GHAB CC1CCN(C(=O)CCc2nc(-c3ccc(Br)cc3)no2)CC1 225820106 ZJEMMCKEBLJQNO-UHFFFAOYSA-N 378.270 3.690 0 40 GHAB C[C@@H](NC(=O)NC[C@@H]1CCN1C1CCCCC1)c1ccc(N2CCCC2=O)cc1 527699421 HDIWSXDQLOFJTD-UTKZUKDTSA-N 398.551 3.581 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)C2CCCC2)CC1 257210124 BTGWKVSPRZEWHW-HZPDHXFCSA-N 386.540 3.709 0 40 GHAB O=C(COc1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257304153 SKGUSZDVHYNZPL-HXUWFJFHSA-N 395.434 3.932 0 40 GHAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1C 260928665 KGQQHPLPJCSWIS-MSOLQXFVSA-N 388.533 3.644 0 40 GHAB CC(C)(C)n1cc(Br)c(C(=O)N2CC(Cc3cccs3)C2)n1 629628244 HYFCSAFDDKYSAK-UHFFFAOYSA-N 382.327 3.777 0 40 GHAB CC(C)(C)OC(=O)NC1=CN(C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 669371048 RUMIDROKYJXEMG-UHFFFAOYSA-N 385.461 3.755 0 40 GHAB C[C@@H](Sc1nncs1)C(=O)/N=c1\[nH]c2ccccc2n1C1CCCCC1 55423252 HERGBAMFRMUTFQ-GFCCVEGCSA-N 387.534 3.934 0 40 GHAB Nn1cc(-c2ccccc2)nc1S[C@@H](C(=O)N1CCCC1)c1ccccc1 5185374 JXLXHNQBCRNXPD-LJQANCHMSA-N 378.501 3.720 0 40 GHAB Cc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCCO)cc1 5343745 ZCJHUAWYCFTZTO-NRFANRHFSA-N 391.471 3.635 0 40 GHAB CCSc1nnc(NC(=O)c2cc(-c3cc(Cl)ccc3O)[nH]n2)s1 5343109 NQPUZIWXHRGADN-UHFFFAOYSA-N 381.870 3.652 0 40 GHAB CC(C)n1cc(C(=O)N2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)cn1 12184462 RXMFTAQWPWVUTF-HNNXBMFYSA-N 388.855 3.503 0 40 GHAB COC(=O)c1cc(NCC(=O)Nc2ccccc2OC(F)F)ccc1Cl 12999768 IYBAXLXHCRAVRO-UHFFFAOYSA-N 384.766 3.779 0 40 GHAB Cc1cc(Cl)ccc1Nc1nc(N2C[C@H](C)O[C@@H](C)C2)nc2nccnc12 13010881 QQNOWUFXWWCCPA-STQMWFEESA-N 384.871 3.739 0 40 GHAB COc1ccc(CN(Cc2ccc3nccnc3c2)C[C@H]2CCCO2)cc1OC 13994203 RXTQRYCKKPGRCT-LJQANCHMSA-N 393.487 3.828 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14104076 ZYADIJZRLFRFRL-UHFFFAOYSA-N 393.418 3.914 0 40 GHAB COc1ccc(-c2cc(=O)c3c(N)nn(-c4nc5ccccc5s4)c3o2)cc1 16217397 TYWNWMUJPLMPGZ-UHFFFAOYSA-N 390.424 3.846 0 40 GHAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1OC)N1CCc2ccccc2C1 19499726 YNNCQOYASQSNSS-OAQYLSRUSA-N 391.519 3.975 0 40 GHAB CCN1CCC[C@@H]1CN(CC1=Cc2cc(OC)ccc2OC1)Cc1cccnc1 19527183 QAXZWVAWZPLZBQ-JOCHJYFZSA-N 393.531 3.853 0 40 GHAB COc1ccc(-c2nccnc2[C@H]2CN(CCc3ccccc3)CCO2)cc1 19693161 QMLMJVMAAKRBFE-OAQYLSRUSA-N 375.472 3.768 0 40 GHAB CCN1CCN(Cc2c(NC(=O)c3ccccc3F)sc(C)c2C)CC1 19924427 WNXXLNQMDHQGKV-UHFFFAOYSA-N 375.513 3.894 0 40 GHAB O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCc2[nH]c3ccccc3c2C1 26360216 GBPUHISPINOFJY-GOSISDBHSA-N 376.456 3.924 0 40 GHAB COc1cc(C)ccc1CN1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984051 OKIYIGCQVMKTMV-XMMPIXPASA-N 394.515 3.792 0 40 GHAB CC[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(OC)c(OC)c1)SCC2 4358951 MAEOUVWANBGMGX-NSHDSACASA-N 378.519 3.789 0 40 GHAB O=C(CS(=O)(=O)c1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 4496364 BQJCDYJMPPGBCU-UHFFFAOYSA-N 392.436 3.907 0 40 GHAB COC(=O)NC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc(C)c1C 4570465 NKYJGVXZQYFJBI-UHFFFAOYSA-N 386.473 3.992 0 40 GHAB O=C(C1CC1)N1CCCc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21 5099575 SAMOFWCEDRBKHF-UHFFFAOYSA-N 390.892 3.830 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 5268542 KBAYNSGKTDYHHM-UHFFFAOYSA-N 389.883 3.980 0 40 GHAB CC(=O)c1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1 8609044 HGZCMLAJXRRLHS-UHFFFAOYSA-N 397.434 3.905 0 40 GHAB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3cc(C)cc(C)c3)ccc21 11612990 OFMQKVATAYEQCR-UHFFFAOYSA-N 393.531 3.763 0 40 GHAB NC(=O)c1ccc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)cc1 11902670 JZMDAAHCCWOXJV-UHFFFAOYSA-N 380.404 3.553 0 40 GHAB CCCn1cc(C(=O)NCc2cccs2)c2nn(-c3ccccc3)c(=O)c-2c1 17287380 FCPWVDCZSSRJNX-UHFFFAOYSA-N 392.484 3.540 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3cccs3)s2)cc1C 206678465 FGYKYLMNEHKAEL-UHFFFAOYSA-N 398.509 3.912 0 40 GHAB CSc1ccc(-c2noc(-c3nn(-c4ccc(F)c(F)c4)ccc3=O)n2)cc1 49006393 KJSFLVDEZXCZNW-UHFFFAOYSA-N 398.394 3.950 0 40 GHAB COc1ccc(CCS(=O)(=O)NCc2ccc(-c3cccs3)o2)cc1 575607970 GIEDKOLHXOTKCF-UHFFFAOYSA-N 377.487 3.679 0 40 GHAB CN1CCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)[C@H](c2ccccc2)C1 30030736 XOBAMEJDIFIRIO-FQEVSTJZSA-N 379.504 3.800 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)c1C 40112269 PCOZWEIMJQFYFW-OAHLLOKOSA-N 381.520 3.996 0 40 GHAB COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(SC)cc1)N(C)CC3)OCO2 20112446 ZYKOXUBQWKOMLL-MRXNPFEDSA-N 385.485 3.948 0 40 GHAB biogenic CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccc(Br)c1 10900682 ULBQOUDBIMFTDP-UHFFFAOYSA-N 389.293 3.558 0 40 GHAB O=C(c1ccccn1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 28718971 NMKOPRJZOIOGEA-UHFFFAOYSA-N 393.437 3.907 0 40 GHAB CCC(C)(C)N1CC(=O)N(Cc2ccccc2)[C@@H](c2ccc(OC)cc2)C1=O 1376126 FHELSWDWKFGFTP-NRFANRHFSA-N 380.488 3.796 0 40 GHAB O=C1OC(c2cccc(I)c2)=N/C1=C\c1cccs1 4714183 OBHMSXCFCLIFLW-WQLSENKSSA-N 381.194 3.697 0 40 GHAB O=C(CN1[C@H]2CCC[C@@H]1CC(NC(=O)C1CCCCC1)C2)Nc1ccccc1 4908064 AHGGYFONJMNZIQ-SEJPIABJSA-N 383.536 3.707 0 40 GHAB Cc1cc(=O)c(C(=O)Nc2ccccc2O)nn1-c1ccccc1C(F)(F)F 45622079 PWYJLGMWQXPIEP-UHFFFAOYSA-N 389.333 3.518 0 40 GHAB C[C@@H](NC(=O)CCN1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 28900405 CRRKINLNXSYUDL-GOSISDBHSA-N 379.504 3.605 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)N(C)Cc1ccc(Cl)cc1Cl 8305419 RBOFCVUJSZVYNX-UHFFFAOYSA-N 392.290 3.639 0 40 GHAB Cc1nc2ccccc2nc1SCC(=O)Nc1ccccc1N1CCOCC1 32765479 LXOOZPSPVOQRLQ-UHFFFAOYSA-N 394.500 3.506 0 40 GHAB C[C@H](NC(=O)CCc1ccccc1)c1cc(O)n2nc(-c3cccs3)cc2n1 100769310 RLBBRBJUTATCMY-AWEZNQCLSA-N 392.484 3.973 0 40 GHAB C[C@H](Nc1cccc(CN2CCC(O)CC2)c1)C(=O)Nc1ccccc1Cl 32814836 VRODTOQSEHVUBF-HNNXBMFYSA-N 387.911 3.736 0 40 GHAB O=C(COC(=O)COc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 2664513 GUFBSVGKPJWKJQ-UHFFFAOYSA-N 387.741 3.920 0 40 GHAB COc1ccc(CN(C)C(=O)c2cc(F)ccc2Br)cc1OC 21912923 XDEGNWNJVUWIOW-UHFFFAOYSA-N 382.229 3.878 0 40 GHAB CC(C)S(=O)(=O)c1ccccc1C(=O)N(C)Cc1c(F)cccc1Cl 33155363 IAJBKIUBIXMYTA-UHFFFAOYSA-N 383.872 3.933 0 40 GHAB CC(=O)NCCc1ccc(C(=O)CSc2nccn2-c2ccccc2C)s1 26047225 LWINZBZEQDLQPN-UHFFFAOYSA-N 399.541 3.896 0 40 GHAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc(Nc2ccccc2)cc1 103580955 PGCZWVVZSXKUJE-KDURUIRLSA-N 377.444 3.544 0 40 GHAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2F)sc(C(C)=O)c1C 702512 RWTXPCURXWGNHC-LLVKDONJSA-N 379.409 3.591 0 40 GHAB O=C1c2ccccc2C(=O)N1CSc1ncnc2sc3c(c12)CCCC3 939406 MWFVJIFXPFCJCE-UHFFFAOYSA-N 381.482 3.916 0 40 GHAB COc1cccc(-c2ccnc3nc(N4CCc5ccccc5C4)[nH]c(=O)c23)c1 22606793 ZELDSRIWCHSQII-UHFFFAOYSA-N 384.439 3.556 0 40 GHAB O=c1oc2cc(Cl)ccc2n1CN1CCCN(Cc2ccc(F)cc2)CC1 23257179 FAQNYNSTFGCKPV-UHFFFAOYSA-N 389.858 3.552 0 40 GHAB CN(C)[C@@H](CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1cccs1 23238419 SFYMATIACUOHQC-KRWDZBQOSA-N 398.532 3.525 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCCc3ccccc32)c1 23693461 CKMMQFHEFIKEJZ-NRFANRHFSA-N 380.488 3.820 0 40 GHAB CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)Nc4ccccc4)c(=O)c23)C1 1321013 JOHIVVVZONDSDJ-ZDUSSCGKSA-N 396.516 3.643 0 40 GHAB CCNC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)c(C)c1 55765489 RYQUSXUDXWZCOL-UHFFFAOYSA-N 382.851 3.836 0 40 GHAB CC(=O)Nc1cccc(-n2cnnc2SCc2nc(-c3cccs3)no2)c1 12538704 ANVVXLYJAVDQAY-UHFFFAOYSA-N 398.473 3.630 0 40 GHAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2cn(C)c3ccccc23)c1 12528553 AISIGUUMWQZHCO-UHFFFAOYSA-N 385.489 3.509 0 40 GHAB Cc1cccc(OCCCNS(=O)(=O)c2ccccc2OC(F)(F)F)c1 23404603 LKXGXMGMSRJUDA-UHFFFAOYSA-N 389.395 3.641 0 40 GHAB Cc1cc2ccccn2c1C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3202911 UICQHLHNHXXBRB-UHFFFAOYSA-N 382.485 3.653 0 40 GHAB Cc1cccc(N2CCN(C(=O)Nc3cnc4c(cnn4C(C)C)c3)CC2)c1 48064063 UNFCGKYFIUZCJA-UHFFFAOYSA-N 378.480 3.675 0 40 GHAB CC[C@@H](C)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 3313884 XLTNDJREKVTSSI-CMJOXMDJSA-N 391.471 3.532 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1ccccc1F)S(C)(=O)=O 113967192 VHTLGQZLGWCQOY-KRWDZBQOSA-N 378.469 3.626 0 40 GHAB Cc1ccc(-c2nc(CSc3nnc(NC[C@H]4CCCO4)s3)no2)cc1 12812046 VYAQAHNHTPCFBC-CYBMUJFWSA-N 389.506 3.780 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)c2ccc(OC)c(OC)c2)cc1OCC 3441715 JHKVPYGVVHPDIX-UHFFFAOYSA-N 388.416 3.541 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1 3437538 WVNGSMTZTRKFRU-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB Cc1cc(C)n2nc(SCCOc3ccc(Br)cc3)nc2n1 3467004 CNBPORHXQWELLN-UHFFFAOYSA-N 379.283 3.675 0 40 GHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)/C=C/c1ccco1 3426648 WYCWBSYRJYRJNP-BQYQJAHWSA-N 389.429 3.590 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(C)c(C)c2)cc1 12920570 XABNTKODACEWSX-NRFANRHFSA-N 380.488 3.796 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)NCCc2cccc(Cl)c2)c1 12999491 XOFCPAUCUAUZCW-UHFFFAOYSA-N 386.908 3.555 0 40 GHAB CCOc1ccc2nc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)sc2c1 7725296 SZOJPFGGAMTQRV-UHFFFAOYSA-N 394.456 3.503 0 40 GHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)CCn1cnc2c(C)cccc2c1=O 13011129 YNXCGDSYYQOMGA-GOSISDBHSA-N 377.488 3.922 0 40 GHAB CC(C)NC(=O)Nc1ccccc1C(=O)NCc1ccc(CN2CCCC2)cc1 16102256 BNBBXOMEGAAMJN-UHFFFAOYSA-N 394.519 3.742 0 40 GHAB Cc1csc(=O)n1CCC(=O)NCC1(c2cccc(F)c2)CCCCC1 63082392 GUIDXCARKXOWMQ-UHFFFAOYSA-N 376.497 3.766 0 40 GHAB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccco2)c1 4061864 DZBUYJGHEJWNPI-XJABCFGWSA-N 385.460 3.805 0 40 GHAB biogenic C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2ccccc2Cl)CC1 49581334 BVCKMUYRYKXPKO-OAHLLOKOSA-N 396.878 3.909 0 40 GHAB Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[nH]c(Nc2ccccc2)n1 39383662 TYXOIVBMTCXWHS-UHFFFAOYSA-N 376.464 3.515 0 40 GHAB COc1cc(C(=S)N2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1O 13728840 LWRDOIBRKOIOIK-UHFFFAOYSA-N 377.893 3.713 0 40 GHAB Cc1ccc(N2C(=O)N(c3ccc(C)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 4393677 NLZDKFGNWVQPCC-ROUUACIJSA-N 390.892 3.569 0 40 GHAB NC(=O)N1CCCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c23)CC1 65487922 FTAUCDWSMXIXRY-UHFFFAOYSA-N 393.516 3.827 0 40 GHAB Cc1ccnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccn2)c1 5344999 SXUGLIRXPINEDU-LJQANCHMSA-N 387.370 3.780 0 40 GHAB Cc1ccc(-c2noc(CSc3nnnn3-c3ccccc3C)n2)cc1F 14196839 JEDAUUIMPLBUBT-UHFFFAOYSA-N 382.424 3.761 0 40 GHAB Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)c2ccc(F)cc2)CC1=O 408659575 VYBODVFJRZAKJB-CQSZACIVSA-N 389.810 3.567 0 40 GHAB COc1ccc(F)cc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 14199407 PXAKJRLLZKAKMY-UHFFFAOYSA-N 387.436 3.533 0 40 GHAB CC(C)Cc1nnc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)s1 14227000 IXPFGFSMBRIGFW-UHFFFAOYSA-N 392.488 3.782 0 40 GHAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@H]2CCCO2)c1 6583244 YQCBOKVKMAEZGB-LJQANCHMSA-N 395.434 3.596 0 40 GHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCC(O)CC2)cc1 14797336 GYSGUDRSZSQOON-UHFFFAOYSA-N 375.472 3.881 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1 4869125 WUCDVPXBBLEQBN-UHFFFAOYSA-N 389.455 3.712 0 40 GHAB Cc1ccc(-c2c(C)sc3nc(CSc4nnc(C)[nH]4)[nH]c(=O)c23)cc1 14903160 GTYOBGOHLLVYEX-UHFFFAOYSA-N 383.502 3.987 0 40 GHAB C[C@@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)sc2C1 6995149 CHLPWNYIZYRITA-SECBINFHSA-N 386.445 3.517 0 40 GHAB C[C@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)sc2C1 6995150 CHLPWNYIZYRITA-VIFPVBQESA-N 386.445 3.517 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2CCC[C@@H](C)C2)cc1 6915733 GPXZAKCKESNTAR-QGZVFWFLSA-N 379.456 3.641 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N[C@H]2CCCC[C@H]2C)n1 5998210 FFBSHMHPCTYEIU-RISCZKNCSA-N 394.928 3.921 0 40 GHAB COc1ccc2c(c1)OC[C@H](C(=O)Nc1cccc(-n3nc(C)cc3C)c1)C2 89595747 YUNJCYPAHJQUTF-QGZVFWFLSA-N 377.444 3.688 0 40 GHAB CCn1c([C@H]2CCCN2C(=O)c2ccc([S@](C)=O)cc2)nc2ccccc21 72230284 PNXKNWHEMOUJRH-XHCCPWGMSA-N 381.501 3.771 0 40 GHAB CC[C@H](C)n1c(SCC(=O)N[C@H](C)CC)nc2cc(C)n(CC)c2c1=O 67299783 OBBNFSDMXJSXFG-OLZOCXBDSA-N 378.542 3.504 0 40 GHAB O=C(CCc1ccco1)OCc1cc(=O)oc2cc(Br)ccc12 24455443 RKTWCRBMBLDKFV-UHFFFAOYSA-N 377.190 3.825 0 40 GHAB CCOC(=O)[C@H]1CC[C@@H](NC(=O)/C=C/c2cc(Cl)c(OCC)c(OC)c2)C1 95418762 FOYLJSBLFMJUIW-OVPGCVMQSA-N 395.883 3.609 0 40 GHAB COc1cc(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc2c1OCCO2 95465833 GLCCRTPZVBQORP-GOSISDBHSA-N 383.419 3.971 0 40 GHAB C[C@H]1Oc2c(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cccc2[C@H]1C 9954340 QFOWVEIUPYRXSR-DLBZAZTESA-N 384.520 3.826 0 40 GHAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 20486691 URKBGDQOHLCKIT-ZWKOTPCHSA-N 388.533 3.644 0 40 GHAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2CN(Cc3ccsc3)C[C@@H]21 306130514 JIRQWDKOHBENSE-QUCCMNQESA-N 382.510 3.565 0 40 GHAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(O)c3)C2=O)c(C)c1 409371037 ALSZMNGTIMVKFD-LICLKQGHSA-N 396.468 3.992 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 35289749 YFFGAZFQZSKEPK-LJQANCHMSA-N 380.448 3.588 0 40 GHAB Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)s1 409171036 YRUVHPVFHNCLET-UHFFFAOYSA-N 379.898 3.631 0 40 GHAB O=C(O)[C@@H]1CCc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2C1 31624015 XMTDLARIWXOOOM-GOSISDBHSA-N 388.471 3.890 0 40 GHAB O=S(=O)(NCC1(c2ccccc2)CCC1)c1ccccc1OC(F)(F)F 32895817 CEQGRFKTENZTFS-UHFFFAOYSA-N 385.407 3.985 0 40 GHAB Cc1csc(CNC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)n1 32882221 FZTDYRQNAXEFEP-SFHVURJKSA-N 387.549 3.820 0 40 GHAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2CC(=O)N2CCCC2)n1 72376838 WJNSKJDZNVRYPC-GOSISDBHSA-N 399.926 3.529 0 40 GHAB Cc1cccc(N2CCN(CCCCNC(=O)c3cccc(C)c3C)CC2)c1 32067548 NIINHFLVXZYRIU-UHFFFAOYSA-N 379.548 3.944 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(OC(F)(F)F)c2)cc1 30884869 UDFPYOHKFKNQSI-UHFFFAOYSA-N 387.379 3.696 0 40 GHAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 32610364 IPLKGIOSBCGCBO-HOTGVXAUSA-N 395.381 3.780 0 40 GHAB Cc1cc(-c2ccc(=O)n(C3CCN(C(=O)Cc4cccs4)CC3)n2)c(C)o1 72342427 UEJGHFJQUNNDGV-UHFFFAOYSA-N 397.500 3.588 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 36811725 IAVOTNADBNDILQ-MRXNPFEDSA-N 386.879 3.687 0 40 GHAB CCOc1cccc(NC(=O)COc2ccc(I)cc2)c1 71981265 ZGUUJSNUAFXEGP-UHFFFAOYSA-N 397.212 3.707 0 40 GHAB CC(C)n1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc2c1=O 72401767 JVTWBODGKBPNRO-NRFANRHFSA-N 376.456 3.796 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)NCC(c3ccco3)c3ccco3)c2O1 675007652 DEMHYHIUJFMGKI-UHFFFAOYSA-N 381.428 3.913 0 40 GHAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223377961 QHCPLTIIHVVKQQ-NHCUHLMSSA-N 392.528 3.702 0 40 GHAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224641466 KFQMGCBXOXKUOT-SFHVURJKSA-N 382.570 3.874 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1 223941322 ZYRNITMVXAZUBR-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CCC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC1CCCC1 224761865 JTRSTJYWQZLKIT-CYBMUJFWSA-N 381.314 3.635 0 40 GHAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1ccc(Br)cc1F 225750375 MEPURVGHSSSKDM-UHFFFAOYSA-N 393.187 3.681 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 223960396 ZXNXOCSACVOOLK-OALUTQOASA-N 377.473 3.545 0 40 GHAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 223946028 APUAHNYUFZWMPT-QFIPXVFZSA-N 396.531 3.961 0 40 GHAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 225729757 BBZZQGFZOZRTSJ-OAQYLSRUSA-N 376.497 3.612 0 40 GHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 44949773 FBCLEWRDHMLWMX-OAQYLSRUSA-N 389.455 3.826 0 40 GHAB COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1COC(C)C 224429160 QTLBTUBFAUYWKB-UHFFFAOYSA-N 382.504 3.578 0 40 GHAB Cc1cc(C)n(CCCNC(=O)CCCN2C(=O)CC(C)(C)c3ccccc32)n1 96183613 GANMHRRIWFVHRZ-UHFFFAOYSA-N 396.535 3.501 0 40 GHAB CN(c1ccccc1)c1ccc2ccc(C(=O)N3CCC(N(C)C)CC3)cn12 96146181 DAYPFJGNQNTXFQ-UHFFFAOYSA-N 376.504 3.873 0 40 GHAB O=C(CN1CCC[C@H](C(=O)N2Cc3cccc(Cl)c3C2)C1)Nc1ccccc1 585083338 RXPGBHAMMMBDHE-KRWDZBQOSA-N 397.906 3.533 0 40 GHAB N[C@@H](CC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1)Cc1ccccc1 584001341 NOOJNCXZLUHERG-LJQANCHMSA-N 379.479 3.973 0 40 GHAB COc1ccccc1OCC(=O)NCc1ccc([C@H](O)c2cccs2)s1 90613593 FPYSZRNJOIKBQD-LJQANCHMSA-N 389.498 3.595 0 40 GHAB Cc1nc(NC(=O)N(C)C[C@H](O)C2CC2)sc1Cc1ccc(F)cc1F 653675486 XCSASXDINHIXEW-HNNXBMFYSA-N 381.448 3.555 0 40 GHAB O=C(c1cc(Cl)ccc1Cl)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390828417 AXSWGCHCWLGGQO-KRWDZBQOSA-N 398.311 3.995 0 40 GHAB COC1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)CC1 96122397 RVKBICZOQDFELH-UHFFFAOYSA-N 378.469 3.550 0 40 GHAB COc1ccccc1NC(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2 96121578 PYWQTULLYCXLEV-UHFFFAOYSA-N 382.386 3.611 0 40 GHAB O=C(CSc1nc2ccccc2s1)NCCCn1ccc2cccnc21 96353266 UEHIMEZIODAUTI-UHFFFAOYSA-N 382.514 3.945 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 96367753 OKPFSFLIGLOHNK-HXUWFJFHSA-N 386.835 3.990 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccco1)c1cccs1 585146664 ACRAZWNFRVXINR-CYBMUJFWSA-N 381.450 3.599 0 40 GHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3oc(Br)cc3C)c2)n1 53470166 YRXLZMCLOKHERJ-UHFFFAOYSA-N 388.221 3.662 0 40 GHAB Cc1cc(C)n(-c2ccc(CCNC(=O)c3cc(Br)c[nH]3)cc2)n1 58363270 TXIQHNNCENFBKL-UHFFFAOYSA-N 387.281 3.552 0 40 GHAB Cc1cnc(N2CCN(C(=O)/C=C/c3ccccc3OC(F)(F)F)CC2)s1 78820589 RMIDAGGNRVBJAT-VOTSOKGWSA-N 397.422 3.712 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccccc1 5455534 DFQJXONTEPTEOQ-UHFFFAOYSA-N 386.517 3.741 0 40 GHAB COc1ccc(N2C(=O)C[C@]2(C(=O)Nc2ccccc2C)c2ccco2)cc1 5452040 YHKIGQOYSMOLPN-JOCHJYFZSA-N 376.412 3.868 0 40 GHAB COc1cccc(OC)c1C(=O)O[C@H](C(=O)N1CCCCC1)c1ccccc1 5464787 MXWHRGGOKIAAOP-FQEVSTJZSA-N 383.444 3.614 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1 11369640 VZVCCLXTPMDBKI-UHFFFAOYSA-N 385.537 3.951 0 40 GHAB Nc1cc(=O)[nH]c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 12785507 ALRYZNSXJOHDCU-IBGZPJMESA-N 376.441 3.550 0 40 GHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 13681632 RWICADQTBCYPCM-UHFFFAOYSA-N 390.505 3.505 0 40 GHAB COc1ccc(-c2nc(CSc3nnnn3CC(C)C)cs2)cc1OC 14247969 SOCMSVWQUHHFBH-UHFFFAOYSA-N 391.522 3.762 0 40 GHAB CC(=O)N1CCc2nc([C@@H]3CCCCN3Cc3cccc(Cl)c3)ncc2C1 19018282 BCBVTRQMDNMAQD-FQEVSTJZSA-N 384.911 3.762 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)c1 19078593 IZEOZLKQJYVFHR-KSSFIOAISA-N 399.443 3.564 0 40 GHAB Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 19136095 HQSNGCVGYDNRSF-UWJYYQICSA-N 378.520 3.630 0 40 GHAB CCc1cc(C(=O)N2CCO[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)on1 19692213 WAWDXHSBYHGDEA-NRFANRHFSA-N 395.434 3.576 0 40 GHAB CCCN=c1ccc2ncc(-c3ccc4c(cnn4[C@H]4CCCCO4)c3)n2[nH]1 504131676 DEWAZFATOBSVFH-OAQYLSRUSA-N 376.464 3.689 0 40 GHAB CCCCC(=O)NC(=S)Nc1cc(OC)ccc1-c1ccc(C(=O)O)o1 226350430 YPJYEGVIXMNHCR-UHFFFAOYSA-N 376.434 3.657 0 40 GHAB CC[C@H](CNC(=O)N1C[C@H](C)[C@](C)(CO)C1)Cc1cccc(Br)c1 664171835 CAIUKGYYPRMAFM-DOXZYTNZSA-N 397.357 3.678 0 40 GHAB CCOC(=O)c1ccc(OC[C@H](O)CN2CCc3sccc3[C@@H]2CC)cc1 30224112 NLCFKBADTDIDIV-APWZRJJASA-N 389.517 3.674 0 40 GHAB COc1ccc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 887229 VCJQEOCYVAOMSJ-KRWDZBQOSA-N 399.921 3.794 0 40 GHAB COc1ccccc1NC(=O)c1ccc(CSc2nc(C)cc(=O)[nH]2)cc1 4320266 LXNYEMFZOMJHCC-UHFFFAOYSA-N 381.457 3.632 0 40 GHAB Cc1ccc(N2C[C@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2=O)cc1 5123535 XTKDHOVUQIHQBI-CQSZACIVSA-N 393.365 3.821 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CCCn1nc(-c2ccco2)ccc1=O 11695851 IYUYAHJHFMKRAJ-UHFFFAOYSA-N 387.823 3.584 0 40 GHAB CCn1/c(=N/C(=O)Cc2ccc(C)c(C)c2)sc2cc3c(cc21)OCCO3 100987587 ULFWNTCWLNGGIL-DQRAZIAOSA-N 382.485 3.781 0 40 GHAB O=S(=O)(NCc1nccnc1-c1ccsc1)c1ccccc1C(F)(F)F 575619550 NAASUXCZULXHLO-UHFFFAOYSA-N 399.419 3.702 0 40 GHAB CCn1c(-c2ccc(OC(F)F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 40161849 IUMUSALSQGSMSN-UHFFFAOYSA-N 395.431 3.575 0 40 GHAB COc1ccc(Cl)cc1/C=C1\SC(=O)N(CC(=O)OC(C)(C)C)C1=O 20289887 RAYHXMNIPPYEMB-JYRVWZFOSA-N 383.853 3.727 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 28341170 VQNZNONTSCVSEA-UHFFFAOYSA-N 382.460 3.859 0 40 GHAB COc1ccc(NCc2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1 925125 DOCHOVQCPFQURL-UHFFFAOYSA-N 384.461 3.730 0 40 GHAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2Cl)cc1 3541493 CQDDQGLXTVZREP-UHFFFAOYSA-N 396.274 3.511 0 40 GHAB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1cccc(C(F)(F)F)c1 4107134 ADGKILCWKIMWET-UHFFFAOYSA-N 391.305 3.779 0 40 GHAB Cc1nccc(-c2cccc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)c2)n1 31802306 ZUGCURIRGFKFHF-UHFFFAOYSA-N 380.492 3.675 0 40 GHAB COc1cc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c1O 6951457 DBISVADHXKUNAH-UHFFFAOYSA-N 380.872 3.691 0 40 GHAB C[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1 7036166 ORAHLJLCZLUQEU-ZDUSSCGKSA-N 391.456 3.640 0 40 GHAB COc1ccc([C@H]2CCCCCN2CC(=O)NCc2ccc3c(c2)OCO3)cc1 8747977 JSUSAUUDTGPJDJ-HXUWFJFHSA-N 396.487 3.657 0 40 GHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)c1 8413201 NPAVYYABGVUBEG-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CCc1ccc([C@H](CNC(=O)/C=C/c2ccc(NC(C)=O)cc2)N(C)C)cc1 32734284 DIRHIQJTENQAKX-NCSHYYEOSA-N 379.504 3.640 0 40 GHAB FC(F)(F)c1cccc(CN2CCN(Cc3nnc(-c4ccco4)o3)CC2)c1 32751543 KYRXVXSOOPTIMX-UHFFFAOYSA-N 392.381 3.666 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1C(=O)c1cccs1 32722728 GJSNDESJWBDBHT-UHFFFAOYSA-N 379.437 3.980 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 59345601 BLPPKKSQVDARLV-UHFFFAOYSA-N 387.505 3.702 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)NCCOc1ccccc1)c1ccc(Cl)cc1 32802271 YVJQMAFAKVPGEF-SFHVURJKSA-N 384.867 3.541 0 40 GHAB COc1ccccc1NC(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 32831185 FTWUWQKBRSJMGC-CALCHBBNSA-N 383.492 3.626 0 40 GHAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1 7758417 OABINZMLAMIFBG-UHFFFAOYSA-N 388.423 3.906 0 40 GHAB CSc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3nc(N)[nH]c(=O)c32)cc1 102679659 IZQYVOJOYIQHLL-CQSZACIVSA-N 388.452 3.623 0 40 GHAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)NCC(F)(F)F 2618675 IFHAPHKRUHWQDG-YRNVUSSQSA-N 375.393 3.572 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)c3c[nH]c4ccccc34)c2O1 2636873 OPFLRZFZAYWZTA-UHFFFAOYSA-N 379.412 3.686 0 40 GHAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC=CCC2)c1 7814190 JKWNPMPKZDTPKB-OAHLLOKOSA-N 386.473 3.791 0 40 GHAB CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1ccc(F)cc1 26503560 WFAQQQJZKLVEEP-JTPHSUOKSA-N 380.419 3.611 0 40 GHAB biogenic O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1OC[C@@H]1CCCO1 22692619 HMEFYLYEBVQDRN-AZUAARDMSA-N 398.503 3.794 0 40 GHAB C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1cccs1 23003733 LNQASLGNCBADAR-WMLDXEAASA-N 380.469 3.786 0 40 GHAB CCOC(=O)Cn1nc(C2CC2)c2c(C(F)F)cc(-c3cnn(C)c3C)nc21 12396343 WCVJSBMWGNQWMI-UHFFFAOYSA-N 389.406 3.518 0 40 GHAB CC(=O)Nc1cccc(NC(=O)[C@@H](SC(=S)N2CCCC2)C(C)C)c1 42989610 PWBIXEHNXKSBLO-INIZCTEOSA-N 379.551 3.722 0 40 GHAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(N3CCCCC3=O)cc2)c1C 24740434 YFNLSTISUSUUMG-UHFFFAOYSA-N 393.487 3.531 0 40 GHAB O=C(CN1CCN(Cc2ccsc2)CC1)Nc1cccc(Cl)c1Cl 22912421 KRHAEICUSHIVDX-UHFFFAOYSA-N 384.332 3.811 0 40 GHAB CCOc1cc2c(cc1CNC(=O)c1cc(OC)c(C)c(OC)c1)O[C@H](C)C2 24318182 UMQLWZLRCRIATC-CYBMUJFWSA-N 385.460 3.664 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccccc1Cl 28189252 YWHKKXNIERPFAB-UHFFFAOYSA-N 377.853 3.879 0 40 GHAB CCCn1c(SCC(=O)NCCC2=CCCCC2)nc2ccsc2c1=O 57425142 BJTUCCVLTUUMCF-UHFFFAOYSA-N 391.562 3.967 0 40 GHAB Cc1ccc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)cc1S(C)(=O)=O 44506884 FASCOFIXILMRTD-KDOFPFPSSA-N 387.501 3.920 0 40 GHAB CCCCn1c(S[C@@H]2CCCCNC2=O)nc2sc(C)c(C)c2c1=O 10287287 IMQNAXMWZPKUHA-CYBMUJFWSA-N 379.551 3.636 0 40 GHAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCCCS(N)(=O)=O)cc1 58356233 WDFJHMXZOIVXRM-UHFFFAOYSA-N 387.530 3.618 0 40 GHAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1csc(-c2ccccc2)n1 3366580 HQKUMPNREOIIBY-OAQYLSRUSA-N 391.452 3.540 0 40 GHAB Cc1c(Cl)cnc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)c1Cl 7979795 PWSXQUWOUZXJNC-UHFFFAOYSA-N 392.242 3.903 0 40 GHAB O=C(CN(C[C@@H]1CCCO1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl 48363228 IILAAXRZZTYOEZ-GASCZTMLSA-N 387.307 3.592 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc(F)cc1 12987199 JVAYVEXXVCSDFR-HXUWFJFHSA-N 379.435 3.609 0 40 GHAB Cc1cccc(OC[C@H](O)CSc2nnc(NCc3ccco3)s2)c1 12994060 NXZFXACUVUABCP-ZDUSSCGKSA-N 377.491 3.584 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)Cc2c(Cl)cccc2Cl)c1 3533782 YLBZJLRSHACYEZ-UHFFFAOYSA-N 381.259 3.642 0 40 GHAB CCOC(=O)c1ccsc1NC(=O)CN1CCC[C@H]1c1ccc(OC)cc1 13010584 JDDXWMJESCEDCY-KRWDZBQOSA-N 388.489 3.709 0 40 GHAB CN(Cc1ccccc1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 13061745 MHQUEAVJFBTXHK-UHFFFAOYSA-N 385.467 3.572 0 40 GHAB CCC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1C 13012388 LMJFFJFJCFSKCU-LJQANCHMSA-N 395.459 3.713 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1csc(-c2cccs2)n1 8188549 HCSXJUDOISOMMG-UHFFFAOYSA-N 399.541 3.980 0 40 GHAB COC(=O)c1c(NC(=O)CCC(=O)O)sc(C)c1-c1ccc(C)c(C)c1 3864301 HWBJNQRUKCXFGH-UHFFFAOYSA-N 375.446 3.930 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 8280435 WKCWGVRZRIBICN-UHFFFAOYSA-N 397.481 3.719 0 40 GHAB O[C@@]1(C(F)(F)F)[C@H]2COc3ccccc3C2=NN1c1nc2ccccc2s1 5275049 SJANWJHLGDYGHJ-APPDUMDISA-N 391.374 3.780 0 40 GHAB COc1ccc(-c2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1OC 4414489 AZUVLYKUBFNVGN-UHFFFAOYSA-N 381.461 3.603 0 40 GHAB CCc1ccc2c(COC(=O)/C=C/c3ccc4c(c3)OCCO4)cc(=O)oc2c1 5307644 WYAAUEIKAQFXGJ-VMPITWQZSA-N 392.407 3.883 0 40 GHAB O=C1c2ccccc2CC[C@@H]1[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 4555340 HRVQZWXYHZCCKB-SQJMNOBHSA-N 383.447 3.866 0 40 GHAB Cc1sc2ncn(C[C@H](O)COc3ccc(Cl)cc3Cl)c(=O)c2c1C 14246806 YZDIXDYQQLRGBL-LBPRGKRZSA-N 399.299 3.822 0 40 GHAB COc1ccccc1C1=NO[C@H](COC(=O)c2ccc(Br)cc2)C1 5526284 JJEZDPCOPZNUOC-AWEZNQCLSA-N 390.233 3.808 0 40 GHAB CCOc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1 5568867 PLYBOEYEXIIKRR-UHFFFAOYSA-N 379.279 3.975 0 40 GHAB O=C(N[C@@H](Cc1nc2ccccc2n1CCO)c1ccccc1)c1ccccc1 6694696 ZZEWPJYWYLGVEL-NRFANRHFSA-N 385.467 3.742 0 40 GHAB Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)OC(C)(C)C)c2Cl)cc1 14676031 HWXZQBSAAFNGSC-UHFFFAOYSA-N 378.856 3.700 0 40 GHAB COc1ccc(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1F 5634838 MRZSZQGFUFYLHE-UHFFFAOYSA-N 396.509 3.696 0 40 GHAB CC(C)C(=O)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1 6757018 LMRXUVHDVAMLQQ-MRXNPFEDSA-N 395.908 3.772 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)S2 6811767 UECVJNKRKKJIRA-IRXDYDNUSA-N 399.907 3.892 0 40 GHAB O=S(=O)(c1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1)N1CCCC1 8755796 JXCSXDMRMHQALX-UHFFFAOYSA-N 389.864 3.842 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1OCC 7050919 PCGCYVIMEMBJQW-UHFFFAOYSA-N 375.368 3.702 0 40 GHAB COc1ccccc1C(=O)NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 15739632 ZNMAAVDWZCCGSS-UHFFFAOYSA-N 386.757 3.736 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)c2cc3ccccc3oc2=O)cc1C 15835043 DTYLPBCLGDJLHM-UHFFFAOYSA-N 391.383 3.802 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCc3ccccc3C2)cc1 9503524 QFZLOIXNWYHCFO-UHFFFAOYSA-N 395.462 3.893 0 40 GHAB Cc1ccsc1C(=O)N1CC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306137375 QUQVJXWPPHTAJR-QGZVFWFLSA-N 389.484 3.791 0 40 GHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCNC(=O)c1ccccc1OC 71844185 JQHRYHDBKXURCL-FPOVZHCZSA-N 394.515 4.000 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3cnc(C4CC4)n3c2C)c1C 96004040 XDKKSGHBSUSUND-UHFFFAOYSA-N 393.443 3.707 0 40 GHAB CCN(CC)CCO[C@H]1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 72309464 UWXCYLVKTQQDTC-QHCPKHFHSA-N 395.547 3.872 0 40 GHAB CC(C)n1cc(CCCC(=O)NCc2nnc3ccccn23)c2ccccc21 95476454 YRGWTHLEYHIUGT-UHFFFAOYSA-N 375.476 3.904 0 40 GHAB CCCCn1c(SCC(=O)N(CCC)CCC)nc2cc(C)[nH]c2c1=O 67238350 SLVFKSVUFZTDRN-UHFFFAOYSA-N 378.542 3.574 0 40 GHAB O=S(=O)(NCc1ccccc1)c1ccc(Br)c(C(F)(F)F)c1 98072751 COEJSJFMPZVWRE-UHFFFAOYSA-N 394.212 3.946 0 40 GHAB CCOC(=O)c1c(CN2CCc3ccccc3[C@@H]2CO)nc2ccccc2c1C 79075002 RIVBOIXQPZTVGC-QFIPXVFZSA-N 390.483 3.812 0 40 GHAB CNC(=O)c1cccc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)n1 95972205 UAKHDISKWGJVPD-UHFFFAOYSA-N 398.513 3.751 0 40 GHAB CCCCCS(=O)(=O)CC(=O)Nc1ccc(N2CCC[C@@H]2C(C)C)c(F)c1 95992944 JFPOCDRHCASFRM-GOSISDBHSA-N 398.544 3.994 0 40 GHAB COc1cc(OC)cc(C(=O)NCCSc2ccc(Br)cc2)c1 9988581 URJPZLWKDYKTRX-UHFFFAOYSA-N 396.306 3.988 0 40 GHAB COc1ccc(Oc2cc(C)nc(C3CCN(C(=O)c4ccno4)CC3)n2)cc1 72362578 XZFKEJKYHPDFHU-UHFFFAOYSA-N 394.431 3.594 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 36121633 MEMQITQFYKCDMQ-NONVJHHQSA-N 399.878 3.663 0 40 GHAB CCOc1cc(/C=C(\Sc2nnc(CC)o2)C(=O)O)cc(Cl)c1OC 214859755 UDZNGNJDPAHGPK-WQLSENKSSA-N 384.841 3.911 0 40 GHAB O=C(Nc1nnc(SCCN2CCCC2)s1)c1nc2ccccc2s1 70635065 AWVHTPRVIHLIPO-UHFFFAOYSA-N 391.547 3.588 0 40 GHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1ccc2c(c1)OCO2)N1CCCCC1 39377199 PUJSOUOYRDPRTO-VXKWHMMOSA-N 391.471 3.981 0 40 GHAB COc1ccc(OC)c2sc(N3CCN(C(=O)Nc4ccccc4)CC3)nc12 38550976 PLXSQLTVNWIKCF-UHFFFAOYSA-N 398.488 3.668 0 40 GHAB O=C(Cn1cnc2ccccc21)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 42379896 GHSYOOUDIGJCRL-AWEZNQCLSA-N 393.472 3.554 0 40 GHAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)N2CCCCCC2)c1 224153412 INEXYUNCYLCTDJ-UHFFFAOYSA-N 390.480 3.667 0 40 GHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 222867293 NOWNNDMLGDNUTC-VQTJNVASSA-N 377.517 3.958 0 40 GHAB COc1ccc2c(c1)CN(C(=O)c1ccc(Cl)cc1)CC[C@H]1COC(=O)N21 225491370 LOEFSTZFXLQOFL-INIZCTEOSA-N 386.835 3.720 0 40 GHAB biogenic,in-vitro CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 222954785 HFZZCPDIFOCGGD-FQEVSTJZSA-N 382.504 3.544 0 40 GHAB CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc3ccccc3c2)cc1 225052391 DGJAIOOVRNLFKY-UHFFFAOYSA-N 383.469 3.771 0 40 GHAB CN1CCC(Oc2ccc(CNC(=S)Nc3ccc(F)c(F)c3)cc2)CC1 225772968 FNWXEKJXICIIEK-UHFFFAOYSA-N 391.487 3.924 0 40 GHAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 224930679 WHMFULTUBWMYIP-UHFFFAOYSA-N 388.272 3.995 0 40 GHAB COC(=O)c1cccc(NC(=S)NCCSCc2ccccc2F)c1 225413345 SXYUIXREYFSUJB-UHFFFAOYSA-N 378.494 3.832 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)ccc21 96321943 WVNSSWBAPDRXDI-ZDUSSCGKSA-N 388.514 3.613 0 40 GHAB Cc1c(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)oc2ccc(F)cc12 257320181 VVQVWSICJIIKEY-UGKGYDQZSA-N 383.419 3.925 0 40 GHAB CCOc1ccc(C(C)(C)C(=O)N2CC[C@]3(CCCOC3)C2)cc1OCC 585081416 BSYWTZMHASMEKC-JOCHJYFZSA-N 375.509 3.791 0 40 GHAB COc1cccc(C(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CNC(C)=O)CC2)c1 257277283 NXFHEJVICVFVAV-JBYIUTFZSA-N 395.503 3.504 0 40 GHAB Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1cc(=O)n(C)c2ccccc12 1626178995 PWOLHXWKYYGUCQ-HSZRJFAPSA-N 399.450 3.576 0 40 GHAB O=C(Nc1nnc(COc2cccc3ccccc23)o1)c1ccc2c(c1)OCO2 90560495 PBWBTAWZQOTQJZ-UHFFFAOYSA-N 389.367 3.783 0 40 GHAB CC1(C(=O)NC2CC3(CCN(Cc4c[nH]nc4-c4ccccc4)CC3)C2)CC1 585103965 URVFENJVQDOUNO-UHFFFAOYSA-N 378.520 3.738 0 40 GHAB CC(C)(C)c1ccc(C2(C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)cc1 46424995 WXXLDXCGUNGGMZ-IBGZPJMESA-N 378.520 3.591 0 40 GHAB FC(F)[C@H](CCc1ccccc1)NC[C@H](c1cccs1)N1CCOCC1 95467434 AJWRVBOUCYTQQD-ZWKOTPCHSA-N 380.504 3.978 0 40 GHAB COc1cc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)ccn1 1615157937 OTBIHWCECNZYSD-APWZRJJASA-N 383.467 3.749 0 40 GHAB Cc1ncc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)c(C)n1 1615126554 KQAAEXFPEHLUGN-QFIPXVFZSA-N 382.483 3.896 0 40 GHAB CCCCCCNC(=O)N[C@H](CCSC(=O)NCCCCCC)C(=O)O 5418025 GPCVNCYMJWQNPP-OAHLLOKOSA-N 389.562 3.732 0 40 GHAB CCCC(=O)N(Cc1ccccc1)Cc1nc(N(C)C)ncc1-c1ccccn1 12089204 NYNWIMUAPPAXJG-UHFFFAOYSA-N 389.503 3.934 0 40 GHAB CC(=O)N1CCCc2cc([C@H](O)CN3CC=C(c4ccccc4)CC3)ccc21 12291299 TWBVHBJETUHIBZ-XMMPIXPASA-N 376.500 3.808 0 40 GHAB COc1ccccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 12759736 GEPUBYVMAHKHRJ-JXAWBTAJSA-N 387.399 3.579 0 40 GHAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CC2)nc(C2CC2)n1 19592086 GTSDGUQSNKQAAZ-SFHVURJKSA-N 375.476 3.687 0 40 GHAB Cc1cccc(CNc2n[nH]c3nc([C@H]4CCCN4)cc(C(F)(F)F)c23)n1 19703375 LWZFMCCMIPSIPX-CYBMUJFWSA-N 376.386 3.717 0 40 GHAB COc1cc(C)ccc1OCCNC(=O)c1n[nH]c2c1C[C@@H](C(C)(C)C)CC2 19716085 NDVZWAWKVZQCLX-HNNXBMFYSA-N 385.508 3.687 0 40 GHAB CCc1cc(C(=O)NCc2ccc(-c3ncncc3-c3cc(C)no3)cc2)no1 19522685 DZUNADSLRCFKTE-UHFFFAOYSA-N 389.415 3.587 0 40 GHAB COC(=O)c1n[nH]c2ccc(NC(=O)c3cc(C)n(Cc4ccco4)c3C)cc12 12520637 RONQOGCJTQHRFR-UHFFFAOYSA-N 392.415 3.661 0 40 GHAB Cc1nc(N2CCN(c3nc4c(C)cccc4s3)CC2)c2ccncc2n1 1888930444 JDLIGACCGGUYSS-UHFFFAOYSA-N 376.489 3.578 0 40 GHAB Cc1ccc2c(CC(=O)NCC3(N4CCOCC4)CCCCC3)coc2c1C 23718720 ATFHCMCPUGIAJH-UHFFFAOYSA-N 384.520 3.743 0 40 GHAB COc1cc(CNC[C@H](c2cccc(F)c2)N(C)C)cc(OC)c1OC(F)F 25360401 PEGSKZDAQQMNJK-MRXNPFEDSA-N 398.425 3.837 0 40 GHAB Cc1nc(N2CCC(N3CCc4sccc4C3)CC2)cc(C(F)(F)F)n1 1776000894 ORTFJJHMPVRYDM-UHFFFAOYSA-N 382.455 3.892 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037985745 UZCVIYDZXDLYNS-QFIPXVFZSA-N 398.890 3.768 0 40 GHAB Cc1ccc(CN2CCC(Cc3cncc(=Nc4ncc(C)s4)[nH]3)CC2)cn1 2037846384 OXMBTSFRSKPYNY-UHFFFAOYSA-N 394.548 3.565 0 40 GHAB Cc1ncnc(OCC2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1C 1565523518 QOPWYYYEYMKRLF-UHFFFAOYSA-N 378.476 3.516 0 40 GHAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Cl)C[S@@](=O)C3)cc1 2724955 ZHTJKFRODVUMPX-SANMLTNESA-N 385.876 3.849 0 40 GHAB Cc1cc(C)c(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1C 4166880 XRWRCTDEGHAGBX-UHFFFAOYSA-N 387.530 3.651 0 40 GHAB COc1cc(OC)cc(C(=O)NCCc2csc(-c3ccc(F)cc3)n2)c1 5146272 ASDFRGMRUWDYDE-UHFFFAOYSA-N 386.448 3.939 0 40 GHAB COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)c1 8843864 DAEUMLIOCUROIU-LJQANCHMSA-N 381.501 3.744 0 40 GHAB COc1cccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 12440851 GOBHQYLTFPDQEX-UHFFFAOYSA-N 397.862 3.991 0 40 GHAB Cc1csc(C(=O)N2Cc3nc(COCc4csc(C)n4)oc3C2)c1 2055713443 QDTGXZQAJJVTEH-UHFFFAOYSA-N 375.475 3.682 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 2055803671 BEHRGZCQPCIPAM-SFHVURJKSA-N 392.837 3.508 0 40 GHAB Cc1cc(C)n([C@@H](CNC(=O)c2ccc(C(F)(F)F)nc2)c2ccsc2)n1 575614311 QGSCPGOYNMUWBX-HNNXBMFYSA-N 394.422 3.995 0 40 GHAB C[C@@H](O)c1ccc(C2(CNC(=O)C(=O)Nc3ccc(F)cc3)CCCC2)s1 225685152 WKLQXBXQJKWIRL-CYBMUJFWSA-N 390.480 3.507 0 40 GHAB Cc1nc(COc2ccc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2)no1 40050799 GLNQEVACWYFBJN-UONOGXRCSA-N 383.370 3.808 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1ccccc1C(=O)N1CCOCC1 40120240 GPHRRMMAZRMHSA-MBOZVWFJSA-N 387.524 3.741 0 40 GHAB O=C(Nc1cccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1)C1CC1 10668870 YCPYIGNIDCQMBT-UHFFFAOYSA-N 399.299 3.820 0 40 GHAB CCOC(=O)[C@](NC(=O)[C@H](C)CC)(Nc1cccc(Cl)c1)C(F)(F)F 2311849 CUKRKFBZOHBYGL-MEBBXXQBSA-N 380.794 3.736 0 40 GHAB CS(=O)(=O)Cc1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 11074890 GOMUJTDJCLHSHU-UHFFFAOYSA-N 394.496 3.642 0 40 GHAB O=C(NCc1ccc(N2CCCC2)nc1)c1ccccc1C(=O)c1ccccc1 31316273 JYOKILPQRNYWDV-UHFFFAOYSA-N 385.467 3.843 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(CO)(c5ccccc54)[C@@H]3C2=O)cc1 3115799 SJTACUOCVVLQIB-ZQFKLAOWSA-N 395.458 3.538 0 40 GHAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1ccc(F)c(F)c1F 4251927 FRJDKIBMLJEARF-SNVBAGLBSA-N 392.406 3.801 0 40 GHAB CC(C)n1ncc2cc(NS(=O)(=O)c3cccc(Br)c3)cnc21 32098016 USLFXBJOIBOVKK-UHFFFAOYSA-N 395.282 3.576 0 40 GHAB COc1ccccc1NC(=S)N1CCC(NC(=O)c2ccc(C)cc2)CC1 4857595 NQLWUOBXXSUAHK-UHFFFAOYSA-N 383.517 3.595 0 40 GHAB CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(Cl)c1Cl 4944476 IKODIOXTGWBMTJ-SECBINFHSA-N 384.288 3.673 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccc(Cl)cc2)c2c(C)cccc21 4988022 RUORGCKQICTSIV-NRFANRHFSA-N 387.863 3.631 0 40 GHAB CC(C)[C@@H](NC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)O 6364932 ANOBEDCFCCAPEU-YYAZDPENSA-N 385.504 3.759 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 6946536 XOQHDUJXKJQADF-SFHVURJKSA-N 388.533 3.804 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 6946638 HSFJARBRYMRMDH-HNNXBMFYSA-N 394.924 3.840 0 40 GHAB Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(=O)O 6962510 RGYOZJKMOBDBCP-XKZIYDEJSA-N 376.416 3.948 0 40 GHAB Cc1cccc(N2CCN([C@@H](c3nnnn3C3CCCC3)C(C)C)CC2)c1C 57669581 GASGGZLVVMRZJF-OAQYLSRUSA-N 382.556 3.924 0 40 GHAB COc1ccc(OCC(=O)Nc2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)cc1 8115524 WCYLFDMJVWXCKS-UHFFFAOYSA-N 380.448 3.795 0 40 GHAB COc1cc(CNn2cn[nH]c2=S)cc(Cl)c1OCc1cccs1 8470635 DPGNCYZFDDMZDD-UHFFFAOYSA-N 382.898 3.987 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 8477608 OJVAIPRXUJCSIN-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB CC(C)Oc1cccc(CNS(=O)(=O)c2ccc(Br)s2)c1 10543813 JUEZGZVSPUDOIQ-UHFFFAOYSA-N 390.324 3.776 0 40 GHAB CCc1cc2c(SCC(=O)c3ccc4c(c3)NC(=O)CO4)ncnc2s1 2664016 WXSNWGOSJXQMDP-UHFFFAOYSA-N 385.470 3.560 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCC(C)C)ccc2Cl)c1 107981166 SOJPILWRLYYPSK-UHFFFAOYSA-N 380.897 3.835 0 40 GHAB Cc1ccc(OCC(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 782963 ZACQAWHURNKSLR-UHFFFAOYSA-N 388.467 3.512 0 40 GHAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1 2703944 RCYTYLWHSFFNAY-NRFANRHFSA-N 398.418 3.942 0 40 GHAB CCS(=O)(=O)Nc1ccc(N[C@H](C)C(=O)Nc2c(C)cccc2C)cc1 56198687 UCSDOBKGKSVPMJ-OAHLLOKOSA-N 375.494 3.504 0 40 GHAB Clc1ccc(Cc2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)cc1 1016505 UKMZZVCMNWMVJL-HNNXBMFYSA-N 384.848 3.943 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCCOC(C)C)nc1 23995783 NMQWIYWQNGORAP-UHFFFAOYSA-N 377.510 3.524 0 40 GHAB O=C(CN1CCN(Cc2ccccc2)CC1)NCC12CC3C[C@H](CC[C@@H](C3)C1)C2 101024379 OAZKNEAPRCAKJX-CLGZFQFVSA-N 395.591 3.527 0 40 GHAB Cc1ccc(C)c(N(Cc2ccc(C(=O)NCC(C)C)cc2)S(C)(=O)=O)c1 113966203 PJLSGMAMFIXUJK-UHFFFAOYSA-N 388.533 3.655 0 40 GHAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2C)c1=O 44840363 LSNDRCAVLOQKFP-ZDUSSCGKSA-N 399.878 3.735 0 40 GHAB O=C(OCc1csc(-c2ccccc2)n1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 3314703 OAYONUMOWHDFTD-GOSISDBHSA-N 392.480 3.902 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(Br)ccc1F 12792931 GODDNDWIXZEEBG-UHFFFAOYSA-N 381.201 3.808 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(F)c(Cl)c1 12757604 XEUQTLMXRGYDLS-UHFFFAOYSA-N 396.871 3.824 0 40 GHAB CC(C)Cc1nc2sc3c(=O)[nH]c(S)nc3c2c2c1COC(C)(C)C2 2219984 WZFWLAPRKMAPNY-UHFFFAOYSA-N 375.519 3.871 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)OCc1cc(=O)n2cc(Cl)ccc2n1 28068905 DODXRNKDEOWSSI-UHFFFAOYSA-N 381.819 3.505 0 40 GHAB CCNC(=O)COc1ccc(C(=O)Nc2nc3ccc(CC)cc3s2)cc1 12788923 JTYCLCAICRBLKN-UHFFFAOYSA-N 383.473 3.626 0 40 GHAB CCc1cccc2c(C(=O)CSc3nnc(-c4cccnc4)n3C)c[nH]c12 48260235 FVIOTFMTCUROAZ-UHFFFAOYSA-N 377.473 3.896 0 40 GHAB COc1ccc(OC)c(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 12892005 AUUXIXVWXMEHMA-UHFFFAOYSA-N 385.391 3.945 0 40 GHAB Cc1cccc(-n2c(S[C@@H]3CCOC3=O)nc3sc(C)c(C)c3c2=O)c1 3445398 XXCALYOTYXQYPO-CQSZACIVSA-N 386.498 3.780 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1cccc(F)c1 12998090 VPMYJVHZIDMOGV-IBGZPJMESA-N 398.390 3.662 0 40 GHAB CCc1ccccc1NC(=O)CN(C)C(=O)CCC(=O)c1cc(C)ccc1OC 12948898 AOMASGMGVKPTQJ-UHFFFAOYSA-N 396.487 3.626 0 40 GHAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)c1 17207401 MEKUCHQKXBAKLQ-UHFFFAOYSA-N 394.456 3.944 0 40 GHAB O=C(CSCc1ccccc1)N1N=C2CCCCC[C@H]2[C@@]1(O)C(F)(F)F 409356016 DPNOENHIWAFDMS-RHSMWYFYSA-N 386.439 3.949 0 40 GHAB COc1ccc(OCCSc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1 6230492 STHZWWNGWBWPBS-UHFFFAOYSA-N 388.445 3.934 0 40 GHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccccc1CN(C)C 14199634 FSUYUXQKLFJXAX-UHFFFAOYSA-N 397.500 3.893 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(OC)c(OC)c1 5430174 OKEIXTVVVUCUHF-UHFFFAOYSA-N 397.500 3.881 0 40 GHAB CCCCOc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cc1OC 6507839 LZBVLCRVSOCCEB-UHFFFAOYSA-N 385.460 3.618 0 40 GHAB CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 5560275 IKMUSDSWIXAWAK-UHFFFAOYSA-N 396.559 3.509 0 40 GHAB O=C(NCCCn1ccc2ccccc21)c1cccc(CN2CCCC2=O)c1 8709484 BVLYCFWGFZKOQT-UHFFFAOYSA-N 375.472 3.584 0 40 GHAB CC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 8852816 QXOZWXALXYTVEL-UHFFFAOYSA-N 396.424 3.759 0 40 GHAB COc1cccc(-n2nnc(C(=O)N[C@@H](C)c3ccccc3)c2-c2ccncc2)c1 67261781 ASNCXUBQRHITOQ-INIZCTEOSA-N 399.454 3.829 0 40 GHAB CC[C@H](C)n1c(SCC(=O)NCc2ccccc2)nc2ccsc2c1=O 67335204 MRKLPHRIVBGIQF-ZDUSSCGKSA-N 387.530 3.838 0 40 GHAB CC(C)CN(C(=O)c1cccc(Oc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 7406091 XEKZQJNFTHOLAC-GOSISDBHSA-N 387.501 3.764 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1Cl 9355923 XAVMUSLDJCZWSG-UHFFFAOYSA-N 380.897 3.978 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)cc1 7848329 NZFDGJZMMKGEHI-CYBMUJFWSA-N 387.867 3.915 0 40 GHAB Cc1ccccc1CCC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 89689320 PMHJIHGRQJBCPZ-KRWDZBQOSA-N 377.893 3.568 0 40 GHAB O=C(NCCc1csc(-c2ccncc2)n1)c1cccc(Br)c1 19942499 ADRXVUFMEPDUAT-UHFFFAOYSA-N 388.290 3.940 0 40 GHAB Cn1c(=O)oc2c(C(=O)Nc3cc(C4CCC4)nn3-c3ccccc3)cccc21 97021919 AXKLPOMMFOMRPI-UHFFFAOYSA-N 388.427 3.837 0 40 GHAB CC(C)(C)c1n[nH]c(-c2nn3c(-c4ccco4)nnc3s2)c1Br 72401662 UMSNEACCIYFOCR-UHFFFAOYSA-N 393.270 3.896 0 40 GHAB CC(C)c1n[nH]c(-c2nn3c(-c4ccco4)nnc3s2)c1Br 72401037 QKQPJKXMPWQVKG-UHFFFAOYSA-N 379.243 3.722 0 40 GHAB CN(Cc1nc(O)c2cnn(-c3ccccc3)c2n1)Cc1c(F)cccc1Cl 95352103 JBUJUUWBBHHMAI-UHFFFAOYSA-N 397.841 3.946 0 40 GHAB COc1ccccc1-c1cnc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)o1 95980442 ALYLVZWIDPJDFY-OAHLLOKOSA-N 379.464 3.725 0 40 GHAB C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1csc(-c2ccc(Br)cc2)n1 79025957 CIDZSAXKXHZTLV-DGCLKSJQSA-N 394.338 3.658 0 40 GHAB Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 548021593 MHTZYZDFGJLEHL-CZUORRHYSA-N 388.880 3.913 0 40 GHAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1cnc(Cl)cc1Cl 1561738816 VTTQWIQBKQJXLS-HNNXBMFYSA-N 397.283 3.554 0 40 GHAB CC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 38756189 DSOLJXAZQWHQAI-ZDUSSCGKSA-N 380.897 3.978 0 40 GHAB Cc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(C)cc2)cc1 32640770 CGWXHLXILQKEOV-OALUTQOASA-N 386.542 3.578 0 40 GHAB O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ncoc1-c1ccc2c(c1)OCCO2 515032626 GHTNKFKJXLNFBS-SHTZXODSSA-N 394.402 3.928 0 40 GHAB Fc1ccc([C@H]2CC[C@@H]2c2nc(-c3cnc(OCC(F)F)cn3)no2)cc1 528184194 XWYOLGNYBOVYJJ-OLZOCXBDSA-N 376.338 3.971 0 40 GHAB Cc1ccc(N2C(SCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 32640604 LDDNTKXJECLREG-MJGOQNOKSA-N 386.542 3.578 0 40 GHAB COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)C(C)C)c3nccs3)C2)c1 72341412 IVCPPTPTNOGADB-MJGOQNOKSA-N 387.549 3.877 0 40 GHAB O=C(Nc1ccc2nccnc2c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 33915412 XBXGLVMBHKFVMA-UHFFFAOYSA-N 394.390 3.683 0 40 GHAB CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c12 16042458 VCPSDWNCLUYMGU-CYBMUJFWSA-N 389.448 3.873 0 40 GHAB biogenic O=C(c1ccncc1)N1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 72362108 SWIQBYJFBMZWFN-UHFFFAOYSA-N 378.407 3.823 0 40 GHAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 219314705 OWJFUKBQASWAQA-MOPGFXCFSA-N 389.517 3.823 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 224222240 RDHFMTQJNQRTKL-NRFANRHFSA-N 382.504 3.626 0 40 GHAB Cc1cccc(N2CCN(C(=O)COc3cccc4c3CCCC4)CC2)c1C 222687025 ALDWRONLMLJVFJ-UHFFFAOYSA-N 378.516 3.910 0 40 GHAB Cc1cc(NC(=S)NCCCN2CCCCCC2)ccc1N1CCCC1=O 225401253 RLMSYSPKEUHTGR-UHFFFAOYSA-N 388.581 3.674 0 40 GHAB COc1ccc2cc(CN(C)C(=O)COC(=O)/C=C/c3nccs3)ccc2c1 40151865 WIPGGZVPFJKCQS-BQYQJAHWSA-N 396.468 3.520 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1c(F)cccc1Cl 222983994 PPPUIPZLZAXZSU-CYBMUJFWSA-N 394.849 3.714 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 222978299 DYXKNKDYIQCJQZ-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB CCOc1ccccc1NC(=S)NCc1ccc(OC)c(OC)c1OC 225525647 SJVLDFLZWGNDGF-UHFFFAOYSA-N 376.478 3.598 0 40 GHAB Cc1ccc(C(=O)NCCSC(C)(C)C)c(I)c1 225014977 SENNHTMMKZZHCP-UHFFFAOYSA-N 377.291 3.861 0 40 GHAB COc1ccc(CNC(=S)Nc2ccc(F)c(Cl)c2)c(OC)c1OC 44252147 NTNRPNREDUKVLT-UHFFFAOYSA-N 384.860 3.992 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 223549158 OWORMASLKGNKRD-GOSISDBHSA-N 384.545 3.782 0 40 GHAB O=C1NCCN(C(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)[C@@H]1c1ccccc1Cl 529017743 MAYAQEWEWMRKRZ-GPMSIDNRSA-N 386.854 3.672 0 40 GHAB CCCN(CCC)[C@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 90448139 WUPQPTKGVPEEBC-OAQYLSRUSA-N 381.472 3.917 0 40 GHAB CCOc1ccc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1 97998216 CVPQIXJMKCOVAI-XMHGGMMESA-N 376.412 3.557 0 40 GHAB C/C(=C\C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(F)cc1F 585080277 XTJCKLAPABVTCU-BAILOTOSSA-N 398.453 3.718 0 40 GHAB O=C1N(Cc2ccc(F)cc2)CC=CCC12CCN(Cc1ccccn1)CC2 257314233 UVYMUROVHPAWCF-UHFFFAOYSA-N 379.479 3.792 0 40 GHAB CC1(C)[C@H](NC(=O)c2cncnc2)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257223821 DZAGBHVEQJLFAO-HFEVTZJPSA-N 377.488 3.789 0 40 GHAB COc1cc(C(=O)O)ccc1CCNC(=O)CCc1ccc(C(F)F)cc1 630173637 RAWQBDLCXTWXBB-UHFFFAOYSA-N 377.387 3.623 0 40 GHAB Cc1cc(N[C@@H]2CCc3ccc(-c4ccccc4)cc32)n2nc(C(=O)O)nc2n1 1610474242 CFQMDHLNBBFALV-GOSISDBHSA-N 385.427 3.897 0 40 GHAB Cc1ccc(Cl)c(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)c1 1212463440 SBRIDWUWYOUEMF-SFHVURJKSA-N 375.877 3.814 0 40 GHAB CCCOc1c(Br)cc(/C=C2/SC(=O)NC2=O)cc1OCC 2169645 KKLMZTJDBVJOGH-XYOKQWHBSA-N 386.267 3.961 0 40 GHAB CC1(C)Oc2c(C(=O)c3ccccc3)c(O)cc3c2[C@@H]2[C@H]1CC[C@](C)(O)[C@@H]2O3 1534685661 NYTKAZDWAQTEPR-CHYBBJJXSA-N 380.440 3.800 0 40 GHAB COCCN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O 8104340 JTPCMRWQVHATFD-WZUFQYTHSA-N 377.205 3.584 0 40 GHAB COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@@H]1c1cccc(C#N)c1 11559336 HAKATKQBZDYNMR-LJQANCHMSA-N 395.459 3.889 0 40 GHAB O=C(NCc1nc(-c2cccnc2)n[nH]1)[C@H](c1ccccc1)C1CCCCC1 12114711 ZHRDRIHEJNLSKD-HXUWFJFHSA-N 375.476 3.847 0 40 GHAB O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1Cc2cc(Cl)ccc2O1 12197150 DJUQJMMGMXQESZ-IBGZPJMESA-N 384.863 3.908 0 40 GHAB COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@H]3c4ccccc4OC(=O)[C@H]23)cc1 12393795 RNGXRKMCDCIEIL-JYJNAYRXSA-N 397.477 3.959 0 40 GHAB Cc1ccc2oc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)c(C)c2c1 19220400 LXJHGWZNDAPBDV-LJQANCHMSA-N 390.487 3.805 0 40 GHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(O)c3)C2=O)c1C 6479088 FFAVJWOGQXRVFQ-LICLKQGHSA-N 382.441 3.684 0 40 GHAB CC(C)[C@H]1N(C(=O)N=c2ccn(-c3ncccc3C(F)(F)F)[nH]2)CC1(C)C 519063856 QRHMQTRNRYCCAZ-CQSZACIVSA-N 381.402 3.606 0 40 GHAB O=C(CCCNC(=O)c1ccco1)N[C@H](c1ccc(F)cc1)c1cccs1 10291330 JIIUAAXMHAFXMS-LJQANCHMSA-N 386.448 3.896 0 40 GHAB CC1(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)CCCCC1 2037841153 YIQMTYITDIONGB-HSZRJFAPSA-N 384.520 3.772 0 40 GHAB O=C(CC1CCOCC1)NC1CC2(CCN(Cc3ccc(F)cc3F)CC2)C1 2056225140 FBIYPXKEQUYCNX-UHFFFAOYSA-N 392.490 3.642 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O 5304324 RHRFIEMBFWENML-OXJNMPFZSA-N 375.472 3.753 0 40 GHAB CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3Cl)n2)cc1 5396453 ZQDJKXQTZUBLCL-UHFFFAOYSA-N 383.835 3.601 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1 11612528 WCMRVBOXKAHNPI-KRWDZBQOSA-N 392.908 3.912 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 4508564 GPNQBIAQAJIPSC-UHFFFAOYSA-N 383.473 3.613 0 40 GHAB Cc1nccn1[C@H]1C[C@H]2CN(C(=O)NC3CC3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242556 VEJDMSRDUKSIGP-MNDZRTMASA-N 398.482 3.533 0 40 GHAB CCN(CC)C(=O)c1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1 103768780 SMHARWHMKHVMAL-UHFFFAOYSA-N 376.460 3.666 0 40 GHAB Cc1nc2c(c(N3CCC(NC(=O)c4ccc(Cl)s4)CC3)n1)CCCC2 225740296 MGEKKGCFTQTJLW-UHFFFAOYSA-N 390.940 3.778 0 40 GHAB CCOCc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 30179669 AXLQRSBOCXCCHK-QGZVFWFLSA-N 386.879 3.546 0 40 GHAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1cccc(NC(=O)c2ccco2)c1 40145670 KKELDIXPKSTJPN-SFHVURJKSA-N 395.463 3.965 0 40 GHAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2c(c1)ncn2CCc1ccccc1 100221761 GXJOIZLVNFTKSN-KLDKWKSESA-N 383.451 3.591 0 40 GHAB O=C(NCc1nnc2ccccn12)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 36396804 XEUONFRHWJIIAF-LSDHHAIUSA-N 389.484 3.705 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nc2n(n1)[C@@H](c1ccccc1)CC(=O)N2 2399535 RARNLXDEQGPCTM-YCABEKBOSA-N 393.834 3.515 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)cc1 10959091 USHHPAKGMDTFJS-UHFFFAOYSA-N 383.517 3.707 0 40 GHAB Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3CSC(C)(C)N3C=O)n2)c1 938026 GPDWKZQGEJXOHQ-OAHLLOKOSA-N 375.519 3.675 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc2c3cc(F)ccc3n(C)c2n1 1366364 BNKODLGGXZWZET-RYUDHWBXSA-N 387.484 3.537 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)N2C(=O)[C@H](C)SC2=N1 2463246 BVYVNTRHSOZEMA-XHDPSFHLSA-N 378.881 3.940 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3nccs3)c2)c1 6681187 AJWXBKVTBKKCLI-UHFFFAOYSA-N 393.515 3.590 0 40 GHAB O=C(NCCc1cn(C(=O)Nc2ccccc2F)cn1)Nc1ccccc1F 6694613 PECNQQCDIPVQEZ-UHFFFAOYSA-N 385.374 3.606 0 40 GHAB COc1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 7928806 RPSCFAQBJRHVEB-NSHDSACASA-N 380.227 3.961 0 40 GHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)c(OC)c1 20727828 MYHKCKGAMSSKHN-GFCCVEGCSA-N 399.834 3.928 0 40 GHAB O=C(Nc1cc(Br)ccc1-n1cncn1)c1ccc(F)cc1F 51987149 CHMITMUYCHJYDT-UHFFFAOYSA-N 379.164 3.560 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 10039365 KNJDDSUMJXMROE-LLVKDONJSA-N 387.288 3.607 0 40 GHAB CCOC(=O)c1c(NC(=O)COc2ccc(C=O)cc2)sc2c1CCCC2 10966516 MPPGLKXBMYJKCV-UHFFFAOYSA-N 387.457 3.634 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)OCO2 32994729 FSYBMDRTRGXTFA-LBPRGKRZSA-N 375.808 3.986 0 40 GHAB COc1ccc2nc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)ccc2c1 9907146 XIBYGCPLLASIAU-UHFFFAOYSA-N 397.862 3.986 0 40 GHAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(C2CCCCC2)cc1 57674861 AIDBZIGAKRSKJU-UHFFFAOYSA-N 395.503 3.724 0 40 GHAB CN(C(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1ccc2ccccc2c1 102758299 BYDPQBNEMCESRJ-UHFFFAOYSA-N 375.453 3.652 0 40 GHAB CC(C)C(NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C)C(C)C 33088666 MRJKDRLANAFFHL-UHFFFAOYSA-N 386.517 3.903 0 40 GHAB CC(C)CCNC(=O)c1ccc(Cn2c(S)nc3ccccc3c2=O)cc1 2973370 PQIBTQYAPXLLFK-UHFFFAOYSA-N 381.501 3.509 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c(OC)c1 57312925 CYVVQTIXPPDSMF-UHFFFAOYSA-N 399.516 3.821 0 40 GHAB Cc1cccc(N2CCN([C@H](c3nnnn3C3CCCC3)C(C)C)CC2)c1C 57669583 GASGGZLVVMRZJF-NRFANRHFSA-N 382.556 3.924 0 40 GHAB Cn1ncc(Cl)c1C(=O)Nc1c(F)c(F)c(Br)c(F)c1F 2780300 LBLYSVAGRNXGDS-UHFFFAOYSA-N 386.530 3.645 0 40 GHAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 100439090 ONBUIYNTGMIXGT-LPZXAVJZSA-N 396.512 3.972 0 40 GHAB Cc1ccc(-c2cc(C(F)F)nc(S[C@H]3CC(=O)[C@@H]4OC[C@@H]3O4)n2)cc1 101065463 QJZHUDPDGNIUET-YQQAZPJKSA-N 378.400 3.565 0 40 GHAB COc1cc(OC)c(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1OC 7646935 LJDRETRYALCGFG-LBPRGKRZSA-N 383.400 3.622 0 40 GHAB CCOc1ccc(C2=C[C@@H](c3cc(OC)ccc3OC)n3ncnc3N2)cc1 101032952 DCHAENMNCDJJAY-IBGZPJMESA-N 378.432 3.750 0 40 GHAB O=C(NCCc1ccccc1F)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12389982 ULADDNWGXJZLFH-SFHVURJKSA-N 393.462 3.518 0 40 GHAB COc1ccc(CCc2nnc(NC(=O)C3[C@@H]4CCCC[C@@H]34)s2)cc1OC 100771067 HEDRVXVCBBQWQG-ZIAGYGMSSA-N 387.505 3.715 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)oc2C)cc1 24983777 TYUGEIKHBADHPT-UHFFFAOYSA-N 384.457 3.673 0 40 GHAB O=C(NCCCN1CCCC1)c1ccc(CN2CCCc3ccccc32)cc1 20462567 XOQRLADXPDFMNP-UHFFFAOYSA-N 377.532 3.855 0 40 GHAB O=C(NCCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1)NC1CCCCC1 25171424 NROPCINGFFIKRF-UHFFFAOYSA-N 396.535 3.896 0 40 GHAB O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2 107327723 VDWNSTPJAKLJJH-KCQAQPDRSA-N 379.298 3.660 0 40 GHAB C[C@@H](O)CNCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 22075505 RALCAOKFVHXMIY-CQSZACIVSA-N 383.319 3.632 0 40 GHAB C[C@@H]1CCC[C@@H](O[C@H](C)C(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)C1 108387464 YVVNVNVTZGVOGD-GPMSIDNRSA-N 385.483 3.880 0 40 GHAB Cc1cc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)nc2)no1 26778299 HTCKLAHANRSMLQ-UHFFFAOYSA-N 381.816 3.566 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(C)o3)c2)cc1 12556978 RLBLCQMKXXGETE-UHFFFAOYSA-N 398.484 3.969 0 40 GHAB C[C@@H](O)CNc1nc2ccccc2n1-c1nc(C(F)(F)F)nc2ccccc12 12534913 XUTXWNAVPWVKBQ-LLVKDONJSA-N 387.365 3.780 0 40 GHAB COc1ccc(Nc2nc(Cn3nc(-c4ccc(F)cc4)oc3=O)cs2)cc1 10423179 IRXMHXZBCROFAL-UHFFFAOYSA-N 398.419 3.899 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CSC(=S)N3CCC(C)CC3)n2)cc1 2212202 DBNNWOVKGQDCBN-UHFFFAOYSA-N 388.566 3.756 0 40 GHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)s1 12614608 AXIBCCAMXWNWJC-UHFFFAOYSA-N 394.452 3.968 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1Br 7709461 FQKXVEWYKFPGRP-UHFFFAOYSA-N 393.262 3.807 0 40 GHAB Cc1nc(CSc2ccccc2C(=O)N[C@H]2CCOc3ccccc32)no1 12787039 JBHNCSSKXSAJGM-INIZCTEOSA-N 381.457 3.924 0 40 GHAB CC[C@@H](CNC(=O)Cn1c(S)nnc1-c1cccc(C)c1)c1ccccc1 12899376 FLDPWNBPMKUIKE-INIZCTEOSA-N 380.517 3.852 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1OCC 3441830 NRFQUSYWLOWAIL-UHFFFAOYSA-N 377.824 3.933 0 40 GHAB COc1ccc2c(CC(=O)N3CCc4cc(OC)c(OC)cc4C3)coc2c1 7988183 PACZAFQIHWOKIX-UHFFFAOYSA-N 381.428 3.586 0 40 GHAB C[C@H]1CCCN(Cc2csc(NC(=O)c3coc(Br)c3)n2)C1 12980344 ABGGXJDJZUKVCD-JTQLQIEISA-N 384.299 3.983 0 40 GHAB O=C(NC1CCCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 13689507 XMFYYXNTNHBDRE-QGZVFWFLSA-N 381.520 3.788 0 40 GHAB COc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 20152629 MHPVXDBIUVXBEY-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB Cc1nc2ccccc2nc1NCc1ccccc1S(=O)(=O)NC(C)(C)C 64947830 GMXNTYKUVVHMIQ-UHFFFAOYSA-N 384.505 3.627 0 40 GHAB Cc1ccn2cc(-c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)nc2c1 6147838 YVRRAAJVEIJMOT-IRXDYDNUSA-N 383.517 3.976 0 40 GHAB Cc1c(N2C(=O)[C@H](C)S[C@H]2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 8716658 ZVFAEGAKCSDRSQ-QKKBWIMNSA-N 397.475 3.791 0 40 GHAB CCOc1cc(C=O)c(Br)cc1OCc1ccc(C(=O)O)cc1 4544653 DOSJDBAABQLLCQ-UHFFFAOYSA-N 379.206 3.938 0 40 GHAB CC[C@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@H](C)C3 6541770 DYRFLNZLUPBWPE-RYUDHWBXSA-N 393.578 3.610 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1 6661432 BNLQQXLHTBKZHB-UHFFFAOYSA-N 397.500 3.574 0 40 GHAB COc1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)ccc1C 26110304 MMDSMCXZLRLVED-UHFFFAOYSA-N 378.472 3.701 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 6811802 SVZWYWZYWWNJKY-MOPGFXCFSA-N 393.516 3.855 0 40 GHAB Cc1ccc(S(=O)(=O)c2cnc(N(Cc3ccccc3)C(C)C)nc2N)cc1 67336156 CTVPLPGNLRUSJV-UHFFFAOYSA-N 396.516 3.615 0 40 GHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc2c1OCO2 7112997 LNXHCQSODFNJGY-FQEVSTJZSA-N 378.384 3.784 0 40 GHAB Cc1ccc(Oc2ccc(NC(=O)c3cnc4n(c3=O)CCS4)cc2)cc1 15726729 WYDXNRNJSXXEFJ-UHFFFAOYSA-N 379.441 3.702 0 40 GHAB Cc1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)nc(N2CCCCC2)n1 21360350 TVGGHJXEISMHFG-UHFFFAOYSA-N 394.397 3.812 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)SC1CCCCC1 8985533 FKVDAKVOUVCTIN-AWEZNQCLSA-N 384.567 3.638 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCc2n[nH]c(-c3ccc(F)cc3)c2C1 8996501 YEQRQMXMJGPNAZ-KRXBUXKQSA-N 391.402 3.543 0 40 GHAB COc1ccccc1C(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1 19889402 ONLMABAHXNMTJU-UHFFFAOYSA-N 378.394 3.672 0 40 GHAB Cc1ccnc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 21893288 FYQRTIOYTKBFEA-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2cn[nH]c2-c2ccc(OC)c(OC)c2)cc1 72329300 UFWKTZHHWBFHII-ZDUSSCGKSA-N 381.432 3.594 0 40 GHAB CNC(=O)c1ccc(/C=C/C(=O)OC[C@]2(C)CCCN2Cc2ccccc2)cc1 72310756 WQWRLGDHOOIMMJ-PSVMIJIFSA-N 392.499 3.657 0 40 GHAB O=C(Nc1nc(-c2cccc(O)c2)cs1)[C@@H]1CCCN1C(=O)c1cccs1 95400096 LVXFJLRPMPQFOG-HNNXBMFYSA-N 399.497 3.821 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)N2CC[C@H](C)Sc3ccccc32)CC1=O 24584983 UITSIKAGNCLSAZ-JKSUJKDBSA-N 396.512 3.966 0 40 GHAB c1c[nH]c(CN2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)n1 35425540 VBDBEZVYIJRRGZ-KRWDZBQOSA-N 394.479 3.903 0 40 GHAB biogenic,in-vitro COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CC(C)(C)C)c2)cc1 31548626 GHHIUGKXGQKKEY-UHFFFAOYSA-N 376.478 3.871 0 40 GHAB COCCn1c(C(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)cc2ccccc21 524735213 GPLCJJZIUSMMSZ-SFHVURJKSA-N 394.471 3.722 0 40 GHAB CCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 39985163 BTLQHFWZZGQHNZ-UHFFFAOYSA-N 387.288 3.643 0 40 GHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 30865769 ASFPHPMCECJQAC-HNNXBMFYSA-N 394.427 3.624 0 40 GHAB Cc1cccc(Oc2cc(CNC(=O)N3C[C@H](C)[C@@](C)(CO)C3)ccn2)c1C 1564210127 DGHWNJIZTJPLEQ-KSFYIVLOSA-N 383.492 3.651 0 40 GHAB COc1cccc(CCCNC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)c1 44846549 WQZWNQRCPKHQJW-OAHLLOKOSA-N 389.517 3.942 0 40 GHAB O=C(c1cccnc1)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 72362079 IWKQXJYRAATEES-UHFFFAOYSA-N 378.407 3.823 0 40 GHAB COc1ccc(-c2ccc(=O)n([C@H]3CCc4ccccc4N=C3O)n2)c(F)c1 44920489 QABQTKGNYBIYJA-IBGZPJMESA-N 379.391 3.834 0 40 GHAB Cc1cc(C)c(N(CCCC(=O)NCC2=CCCCC2)S(C)(=O)=O)c(C)c1 224823083 IFMCYNXVRHVAFK-UHFFFAOYSA-N 392.565 3.775 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)c(C)c1 225730147 AXJDMNZIWBKERS-HOTGVXAUSA-N 391.581 3.826 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1 224709058 YYPBPNGYFGLMEZ-OAHLLOKOSA-N 375.490 3.508 0 40 GHAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 223220439 MVYRFMALIVAWMH-OALUTQOASA-N 385.581 3.562 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 223683785 GCOFGEVCIRUQLS-OAHLLOKOSA-N 390.936 3.986 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(Cl)c1 223590543 NPAFVJRPPIPVTA-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB CN1C(=O)CC[C@H](C(=O)NCCCc2ccc(F)cc2)[C@@H]1c1cccc(F)c1 223282550 GKMRWSYUPYNNTM-FPOVZHCZSA-N 386.442 3.623 0 40 GHAB CC(C)Oc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 222516917 LTAYLLHCRYLHJU-UHFFFAOYSA-N 396.896 3.775 0 40 GHAB CN1CCN(CCOc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)CC1 20591174 OQLSSBSNBUXIPM-UHFFFAOYSA-N 398.890 3.740 0 40 GHAB biogenic COc1ccc(C(=O)CN2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1 96024440 OJXMLFLWWCFFFP-UHFFFAOYSA-N 383.473 3.869 0 40 GHAB CCn1c(C)nc2cc(C(=O)N(CCC(=O)O)CCc3ccccc3)ccc21 257239069 HNVAUFLBWMBWPB-UHFFFAOYSA-N 379.460 3.524 0 40 GHAB C[C@@H]1CCC[C@@H](N2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@H]2C)C1 252427041 SNIZDVPEJYDTHR-QWFCFKBJSA-N 390.535 3.905 0 40 GHAB CC[C@H](N)C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1 257307191 SXONADLZTVIWNK-IIDKFBGSSA-N 392.927 3.543 0 40 GHAB C[C@]12C[C@@H](c3ccc(F)cc3)N(C(=O)Cc3cccnc3)[C@H]1CCCCC(=O)N2 257270323 MTSSHILGLVHDAN-JTAQYXEDSA-N 395.478 3.554 0 40 GHAB O=C(NCC1CC1)C(=O)Nc1ccc2oc(SCc3ccccc3)nc2c1 585138451 RIOCUGADKUNVSG-UHFFFAOYSA-N 381.457 3.585 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCc2ccncc2)[C@@H]1c1ccccc1Cl 257232051 GJGATCISQRWTAE-NQIIRXRSSA-N 399.922 3.736 0 40 GHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)c2)cc1 260565724 SRAJLBOIWPEKIW-FIKGOQFSSA-N 398.528 3.739 0 40 GHAB CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)c2ncc(C(=O)O)s2)c1 621610593 MMKNCHRZOIKCKU-VIFPVBQESA-N 395.868 3.580 0 40 GHAB CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C)c2ncc(C(=O)O)s2)c1 621610592 MMKNCHRZOIKCKU-SECBINFHSA-N 395.868 3.580 0 40 GHAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@@H]1COc2c(Cl)cccc21 675093375 JLCILHXLXVKIIL-MRXNPFEDSA-N 386.814 3.598 0 40 GHAB Cc1nc(NC(=O)c2cn(C)nc2C2CCOCC2)sc1Cc1ccccc1 644316419 DNBCMSLGHPPBBR-UHFFFAOYSA-N 396.516 3.922 0 40 GHAB CO[C@@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1ccc(C)s1 96104863 DXWMRGKOVYLYRV-ZDUSSCGKSA-N 386.395 3.518 0 40 GHAB O=C(NCc1cccnc1N1CCOCC1)Nc1ccccc1-c1ccccc1 43328948 OCSYRZVSJRYMHB-UHFFFAOYSA-N 388.471 3.907 0 40 GHAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccccc1N1CCC(O)CC1 97702149 TZVMLTJNUSCSRV-UHFFFAOYSA-N 383.473 3.925 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nccs1 5284106 ZGVCTXNWGZWDET-HNNXBMFYSA-N 386.477 3.699 0 40 GHAB CC(=O)Nc1ccc(OS(=O)(=O)C(F)(F)c2nc3ccccc3s2)cc1 5481051 YTBWAUGSEOBXLX-UHFFFAOYSA-N 398.412 3.713 0 40 GHAB Cc1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1 13364823 PXIJAPOOMAHLRG-UHFFFAOYSA-N 393.491 3.820 0 40 GHAB O=C(Cc1cccc(F)c1)N1CCC[C@H](c2ccnc(-c3ccncc3)n2)C1 19293709 ZODTYFDMNOGREX-SFHVURJKSA-N 376.435 3.626 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)cc2NC1=O 19462098 SLBRJTPRBKYFCM-PRWKNARSSA-N 399.834 3.581 0 40 GHAB Cc1cc(C)c2[nH]c(C)c(CC(=O)NCc3nc(Cc4ccccc4)no3)c2c1 19664455 QNCCWCHCKNMYRV-UHFFFAOYSA-N 388.471 3.926 0 40 GHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccccc1Cn1cccn1 19719186 HTDJXTRSOGSXKF-UHFFFAOYSA-N 380.536 3.850 0 40 GHAB CC(C)c1ccc([C@@H](C)NC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)cc1 19749834 COXWXHRALOZXIE-MRXNPFEDSA-N 391.475 3.531 0 40 GHAB COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@@H](C(C)C)O4 3978475 DTFARBHXORYQBF-DQLDELGASA-N 396.439 3.783 0 40 GHAB biogenic,in-vitro CC(C)CC(=O)N1CCNC(=O)[C@H](Cc2ccc(-c3ccccc3F)cc2)C1 19446487 VPOABPRPGQUKLD-LJQANCHMSA-N 382.479 3.656 0 40 GHAB COc1ccc2cc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)c(C)nc2c1 19715203 PGLVFSFBFXUZPL-OAQYLSRUSA-N 381.451 3.724 0 40 GHAB C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 5780039 APAWHOMDVVFCMP-JTQLQIEISA-N 393.440 3.841 0 40 GHAB Cc1cc(N)nc(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)n1 7049357 CVTUCZURFVVFMT-GOSISDBHSA-N 378.501 3.560 0 40 GHAB FC(F)(F)c1ccc(N2C[C@H]3CCN(c4cnc5ccccc5n4)[C@H]3C2)nc1 1889205676 HTARWQONNPXTKO-DYVFJYSZSA-N 385.393 3.759 0 40 GHAB COc1cccc(NC(=O)NCCc2ccc(-c3cnn(C)c3)s2)c1OC 1889226143 AMFVLBWCZJIMIC-UHFFFAOYSA-N 386.477 3.530 0 40 GHAB CC1CCN(C(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)CC1 2716327 WZIGOIYVHSBVHA-UHFFFAOYSA-N 392.499 3.522 0 40 GHAB CCOc1ccc(N2C[C@H](CNC(=O)Nc3ccccc3OCC)CC2=O)cc1 9039626 QLVMURFLHLAXQP-INIZCTEOSA-N 397.475 3.659 0 40 GHAB CCOCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(OCC)cc2)cs1 12442155 CCMRCQICDDNBHX-UHFFFAOYSA-N 386.477 3.678 0 40 GHAB COc1cc(/C=C/C(=O)NC[C@H]2CCCN2c2ccccc2)cc(OC)c1OC 211119319 ZKHOBMJVMLPPFK-TZZQJPOUSA-N 396.487 3.511 0 40 GHAB Cc1nc2ccccc2n1CC1CCN(S(=O)(=O)c2ccccc2F)CC1 38488527 YXWFSXSCKGSCQF-UHFFFAOYSA-N 387.480 3.585 0 40 GHAB O=C(CCSc1ccccc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38946511 OEVLTWZWARNANO-LEWJYISDSA-N 394.540 3.643 0 40 GHAB Cc1ccc(S(=O)(=O)Cc2nc(-c3cccc(Br)c3)no2)cc1 23125808 KYRNGCIWZIDZCR-UHFFFAOYSA-N 393.262 3.781 0 40 GHAB Cc1cccc(NC(=O)[C@H]2C(=O)N[C@]34CCCC[C@H]3[C@H]2c2ccccc2O4)c1 12661025 SPSIPKWKABOJQM-USKVXJDGSA-N 376.456 3.742 0 40 GHAB biogenic O=C(NCCOc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)Nc1ccccc1 20436562 YOEMSLPXRQSJNF-GOSISDBHSA-N 387.867 3.532 0 40 GHAB Cc1cc(NCC(=O)N[C@@H]2CCCc3ccccc32)ccc1N1CCCC1=O 40052171 ABMCERUGYRBUFL-HXUWFJFHSA-N 377.488 3.728 0 40 GHAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C(C)(C)C)ccc1C 30713598 HMUZCMYEQJULTM-UHFFFAOYSA-N 376.478 3.789 0 40 GHAB O=C(CCc1nc(-c2cccs2)no1)N1CCC[C@H]1c1nc2ccccc2[nH]1 36398132 DDGLOWUTMYVVAX-HNNXBMFYSA-N 393.472 3.971 0 40 GHAB COc1ccc(CNC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1OC 31043103 YEOMDFWWBWLSEB-AWEZNQCLSA-N 397.475 3.613 0 40 GHAB O=C(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1336821 JAMFVGUCZSNDSG-UHFFFAOYSA-N 381.856 3.763 0 40 GHAB Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)c3ccc4c(c3)NC(=O)CO4)s2)o1 31370835 FIGAPKYIQYOCIN-LLVKDONJSA-N 397.456 3.842 0 40 GHAB CCC[C@@H](C)NC(=O)CN1c2ccc(CC)cc2-c2ccccc2S1(=O)=O 11118172 GWDPTMTXKPESGS-OAHLLOKOSA-N 386.517 3.730 0 40 GHAB COC(=O)[C@H](CCSC)NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 4084598 XWEJXNAAOQVNRQ-INIZCTEOSA-N 399.472 3.911 0 40 GHAB biogenic O=C(NC1CC1)c1cccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)c1 4859049 WMRSBWNPYOETMB-UHFFFAOYSA-N 388.427 3.551 0 40 GHAB COc1ccccc1CC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 6627592 KBNUXGSZZKQSNX-UHFFFAOYSA-N 381.457 3.958 0 40 GHAB Cc1ccc(C)c(-c2csc(NC(=O)c3nc4nc(C)cc(C)n4n3)n2)c1 7723630 DNEQXVFTLUVQCS-UHFFFAOYSA-N 378.461 3.734 0 40 GHAB COc1ccc(-c2noc(CNC(=O)COc3ccc(C(C)(C)C)cc3)n2)cc1 7759433 ZVMPCOQGRDYUNR-UHFFFAOYSA-N 395.459 3.738 0 40 GHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3c(OC)cccc3OC)ccc21 10972165 NPLGENLDVYHUAF-UHFFFAOYSA-N 398.459 3.728 0 40 GHAB CCN(C(=O)COC(=O)c1cc2cc(OC)cc(OC)c2[nH]1)C1CCCCC1 32752769 CXAGWBQMKBEKEU-UHFFFAOYSA-N 388.464 3.523 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H](c1ccc(F)cc1)C(C)C 32744982 DVQKUBMHVUDGHW-IBGZPJMESA-N 392.496 3.512 0 40 GHAB Cc1nc(Nc2nc(CSc3ccccn3)cc(=O)[nH]2)nc2c(C)cccc12 9939045 QJCKZRTWCVBMDM-UHFFFAOYSA-N 390.472 3.761 0 40 GHAB CCCCn1nc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1=O 32978425 LLZLCKSXYQKTPV-UHFFFAOYSA-N 396.516 3.673 0 40 GHAB CCN(CC)[C@H]1COc2c(cc(Br)c(C)c2Br)C1=O 55116633 MVYDGCAPNDUWFZ-NSHDSACASA-N 391.103 3.806 0 40 GHAB CCOc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1OC 100148458 OTOUENIWRBCGQK-PMACEKPBSA-N 382.504 3.609 0 40 GHAB Cc1ccc(-n2ncc(C(=O)N(C)CC(=O)OC(C)(C)C)c2C(F)(F)F)cc1 60344555 YBGJJQAKUYEMBT-UHFFFAOYSA-N 397.397 3.613 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100117530 XJBXMVVYKZCECZ-XCHRJKHZSA-N 381.520 3.669 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(C)n(CC)c2C)c1C 7794747 ORCICEXMBQVWAU-OAHLLOKOSA-N 388.464 3.675 0 40 GHAB COC(=O)c1cc(COC(=O)c2cccc(C)c2NC(=O)c2ccco2)oc1C 22286952 XXNPTMOVAVQLEL-UHFFFAOYSA-N 397.383 3.885 0 40 GHAB Nc1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 721439 VPKOPYCVBGKMTO-UHFFFAOYSA-N 384.230 3.675 0 40 GHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCC(CN2CCCCCC2)CC1 46958152 DCPTZXXAPKCSHV-QFIPXVFZSA-N 398.595 3.811 0 40 GHAB COc1cc2c(cc1NC(=O)Cc1ccc(-n3cnnn3)cc1)oc1ccccc12 23152731 PATNOHJBWMYDHG-UHFFFAOYSA-N 399.410 3.752 0 40 GHAB O=C(COc1ccc(N2C(=O)c3ccccc3C2=O)cc1)OCc1ccccc1 952284 AXLYTMINQITIRL-UHFFFAOYSA-N 387.391 3.609 0 40 GHAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN(C)[C@@H](C)c1ccc(F)c(F)c1 23356039 UHYIAKMAELRXKH-SUMWQHHRSA-N 393.430 3.609 0 40 GHAB O=C(NCCNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl 12389394 PUWKUZTXRKQIBR-UHFFFAOYSA-N 376.243 3.635 0 40 GHAB COc1ccc(CNC(=O)/C=C/c2cc3c(cc2Br)OCO3)cc1 1394647 MHUGYORHQLPQAO-QPJJXVBHSA-N 390.233 3.516 0 40 GHAB aggregator O=c1c2ccc(Cl)cc2nc(SCc2ccccn2)n1C[C@H]1CCCO1 12400915 DWMLAMDBVOTVDX-OAHLLOKOSA-N 387.892 3.916 0 40 GHAB CN(C)[C@@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccsc1 25330486 MWQYUEVZENGFPU-FQEVSTJZSA-N 380.517 3.844 0 40 GHAB O=C(/C=C/c1ccc(Cl)s1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 25639455 HEOSASMKPSGOTP-DBWMJRBXSA-N 394.899 3.744 0 40 GHAB O=C(/C(=C/c1ccc(OC(F)F)cc1)c1nc2ccccc2[nH]1)N1CCOCC1 25425226 ILPTXGVEILHPMI-DTQAZKPQSA-N 399.397 3.564 0 40 GHAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN(C)C[C@H](O)c1ccc(O)cc1 35361951 DNZIKYSLYLRNLJ-KOPUSNGTSA-N 399.531 3.816 0 40 GHAB biogenic O=C(OCCCN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1Cl 24696181 UZFCMBFPTUHKTN-UHFFFAOYSA-N 378.211 3.837 0 40 GHAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(CC(=O)O)cc1 20143110 GTRHNWJYBZHAJU-UHFFFAOYSA-N 378.222 3.646 0 40 GHAB COc1cc(NC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc(OC)c1OC 27151086 NJRKHBIOXPXVQR-UHFFFAOYSA-N 386.370 3.945 0 40 GHAB O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc(Cl)c2cccnc12 58186226 NCXDWASZRLWYCB-UHFFFAOYSA-N 377.835 3.975 0 40 GHAB COc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 27664283 AXPSFIQXZGYPAP-FQEVSTJZSA-N 388.895 3.681 0 40 GHAB CCn1cnnc1CNC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 58228182 VLYCTPSLUMTSOW-INIZCTEOSA-N 375.885 3.602 0 40 GHAB CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCOC2)c2c[nH]c3ccccc23)cc1 58208876 VSFUKRVDFFRJBG-FXAWDEMLSA-N 377.488 3.519 0 40 GHAB CCOC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc12 2269509 XFZLGONHMDQWEH-UHFFFAOYSA-N 390.443 3.595 0 40 GHAB Cc1ccccc1-c1nc2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2n1 2207223 PEZJTPXBXKRFPI-DHDCSXOGSA-N 388.279 3.981 0 40 GHAB C[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H](c2ccccc2)O1 58417689 BUPSWTYDLZRXCJ-SMDDNHRTSA-N 390.281 3.652 0 40 GHAB C[C@H]1C[C@@H](Sc2nnc(COc3ccccc3Cl)n2C2CC2)C(=O)O1 8323879 QYBNMGCUZYPSGL-IINYFYTJSA-N 379.869 3.642 0 40 GHAB CN(Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@H]1COc2ccccc2O1 16628398 SRZSMLPTBZGQAJ-SFHVURJKSA-N 377.440 3.554 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 3388436 GSLLXTATZCXSFV-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB O=C(O)C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 3324452 PGMYBSUTQKPEJE-LBPRGKRZSA-N 392.235 3.627 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 12787728 JMDQCQYMOJSADX-FQEVSTJZSA-N 392.478 3.633 0 40 GHAB Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3C(=O)NC3CC3)n2)cc1 12772869 GOSQGSQOXQDKFU-UHFFFAOYSA-N 390.443 3.509 0 40 GHAB O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)c1c[nH]c2ccccc12 12854258 KFUFTILZTOVUIN-HSZRJFAPSA-N 387.439 3.524 0 40 GHAB CN(C)S(=O)(=O)c1ccc(CNc2ccnc3cc(Cl)ccc23)s1 12856623 WWJHGONABJZQLY-UHFFFAOYSA-N 381.910 3.812 0 40 GHAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccc(C(F)(F)F)c1 12815216 IICJRQHFKADFQK-NSHDSACASA-N 384.785 3.794 0 40 GHAB COc1ccc(CC(=O)N[C@H]2CCSc3c(F)cccc32)c(OC)c1OC 12985929 NESYNKKHAYANPB-HNNXBMFYSA-N 391.464 3.747 0 40 GHAB C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1 12997903 IHEDTUSCUZNWAV-AWEZNQCLSA-N 384.867 3.956 0 40 GHAB Cc1noc(C)c1CSc1ncccc1C(=O)NCc1cn2ccccc2n1 8279196 VKFZQXOBYXNWJQ-UHFFFAOYSA-N 393.472 3.556 0 40 GHAB O=C(COc1ccc2c(c1)OCO2)N[C@H](Cc1ccccc1)c1ccccc1 8391902 WJPSTTAFJJFMTQ-HXUWFJFHSA-N 375.424 3.894 0 40 GHAB CC[C@@H](C(=O)Nc1cc(C)ccc1OC)n1nnc(-c2ccc(Cl)cc2)n1 13004155 ABSMZQNJSALESO-INIZCTEOSA-N 385.855 3.900 0 40 GHAB COc1cccc([C@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)c1 49549611 SLNORHSVQGQFPH-MRXNPFEDSA-N 384.432 3.795 0 40 GHAB CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2ccc(Cl)cc2Cl)CC1 4241849 CAPSYUXZWSWZFV-AWEZNQCLSA-N 389.279 3.672 0 40 GHAB O=C(Cn1c(NCCO)nc2ccccc21)Nc1ccccc1-c1ccccc1 5185455 RGJLYLZMYTTXHD-UHFFFAOYSA-N 386.455 3.746 0 40 GHAB Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)cc1 4337773 SPUMEKOUUAFEEB-LJQANCHMSA-N 396.874 3.862 0 40 GHAB CC(C)CCNC(=O)[C@@H](C)SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 14229499 IPCJCEQFJOEHDB-GFCCVEGCSA-N 393.578 3.647 0 40 GHAB O=C(Cn1ccc2ccccc21)NCc1ccc(C(=O)Nc2ccncc2)cc1 65823822 BOTWAURBEWAMSD-UHFFFAOYSA-N 384.439 3.605 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)c(C(F)(F)F)c1 14806858 OVYXGJMFRRAVDX-UHFFFAOYSA-N 394.349 3.964 0 40 GHAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc(F)c(F)c1F 4835208 ZXODCRCWDHJOPN-JTQLQIEISA-N 378.379 3.804 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CCCOc1ccc(C(C)=O)cc1 6880086 CEEOLUCEAOSJDT-UHFFFAOYSA-N 397.471 3.868 0 40 GHAB C[C@@H](C(=O)O)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 5897143 OFXIOHNQQYTAGU-HNEYUBDGSA-N 383.425 3.775 0 40 GHAB Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc(C(F)(F)F)nn2C)c1C 28231540 CBHZMLOKNQGDGZ-UHFFFAOYSA-N 391.397 3.861 0 40 GHAB CN1CCN(C(=O)COc2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 15584062 ZKTVKHODXSTKPI-KRWDZBQOSA-N 379.287 3.888 0 40 GHAB Cc1cccc(OC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)c1C 18241157 SGZZGWCHNXXSKY-KDURUIRLSA-N 375.424 3.978 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cccc(F)c1 8880311 JILVHGISLUSCJL-FQEVSTJZSA-N 395.434 3.976 0 40 GHAB Cc1noc(CCCC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)n1 96001307 GYADJVYZEQSQSQ-QGZVFWFLSA-N 395.463 3.895 0 40 GHAB Brc1ccc(-c2nnn(Cc3ncc(-c4ccccc4)o3)n2)cc1 9592226 YTVRYZOCQWVVTO-UHFFFAOYSA-N 382.221 3.806 0 40 GHAB O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCOc2ccncc21 178384846 DMRGEFHJMZSXGQ-UHFFFAOYSA-N 375.215 3.613 0 40 GHAB CC(C)=C[C@@H]1[C@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)C1(C)C 72096773 RCPZEHXVRMTIRA-KBRIMQKVSA-N 376.497 3.904 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)N[C@H]1COc2ccccc21 84016998 QVFFQOFQZDIAMM-FQEVSTJZSA-N 376.460 3.764 0 40 GHAB CC(C)C(=O)Nc1cccc(NC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 97102170 FKGUGDKBDCZEGV-OAHLLOKOSA-N 389.496 3.867 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408705929 QNBYMPYZIKXWRJ-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB CCC(CC)[C@H](NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)C(=O)OC 72301364 VYCSYSWMEDRYIX-FQEVSTJZSA-N 396.487 3.671 0 40 GHAB COC(=O)[C@H](CCSC)NC(=O)c1nc(C)sc1-c1ccccc1Cl 95478281 FIACTPJZOMXQHD-ZDUSSCGKSA-N 398.937 3.796 0 40 GHAB COc1cccc(N2CCN(C(=O)c3cc(C)n(-c4ccccc4)n3)C[C@@H]2C)c1 95431503 AYCXTTIMJSSIRV-SFHVURJKSA-N 390.487 3.540 0 40 GHAB CCc1ccccc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 113940047 OOCGSHGKRNXZDA-ZDUSSCGKSA-N 380.897 3.696 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)ccc21 64946803 LYJBGAAVFPUAGT-UHFFFAOYSA-N 398.893 3.546 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc([S@@](C)=O)cc1 79024895 NCDNPEWWZFEVBB-JNDILOIQSA-N 386.300 3.815 0 40 GHAB COc1ccc2c(ccn2CCC(=O)NCCCc2nc3ccccc3[nH]2)c1 79494152 QLMLXRMGXMASAU-UHFFFAOYSA-N 376.460 3.665 0 40 GHAB O=C(c1ccco1)N1Cc2ccccc2-c2nc(NCc3cccnc3)ncc2C1 306128176 GTEFGGBDQQMSGP-UHFFFAOYSA-N 397.438 3.900 0 40 GHAB CCCCNC(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@H]1c1cnn(CC)c1 36612507 SZPRKOHPNCWZFG-OAQYLSRUSA-N 395.507 3.850 0 40 GHAB O=C(/C=C/c1cccs1)N1Cc2cccn2C[C@H](OCc2cccnc2)C1 306142003 WMKVLCRFEZGSFV-UCFODXPJSA-N 379.485 3.586 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1 408552161 OTUJDFYMWBBRTM-GFCCVEGCSA-N 396.896 3.678 0 40 GHAB COc1ccc(-c2cccc(C(=O)N(C)[C@H]3CCN(C)C3)c2)c2cccnc12 534645917 YHKDQPUAXSYUSY-SFHVURJKSA-N 375.472 3.687 0 40 GHAB CCOc1ccc(NC(=O)c2cnc(N(CC(C)C)CC(C)C)nc2N)cc1 71772215 UROHOJSESKLIFZ-UHFFFAOYSA-N 385.512 3.828 0 40 GHAB O=C(C[C@H]1C(=O)Nc2c(-c3ccc(F)cc3)cnn21)Nc1ccccc1Cl 72455371 OAOJSYAYGSLUGP-INIZCTEOSA-N 384.798 3.865 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)ccc3C)n2)cc1 219077398 JBAFCFUPDLQMSC-INIZCTEOSA-N 395.459 3.788 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 32862677 AGSYIWYDQWHGFP-GOSISDBHSA-N 379.504 3.612 0 40 GHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C 223531708 JTEUXKNZQVZAQY-UXHICEINSA-N 377.517 3.605 0 40 GHAB CCN1CCN(Cc2ccc(CNC(=O)CCCc3cccs3)cc2)CC1 40115277 GFJUHXZNUHHVOF-UHFFFAOYSA-N 385.577 3.525 0 40 GHAB Cc1ccccc1C(=O)N[C@H](C(=O)OCc1ccc(CN(C)C)cc1)C(C)C 40155105 LUODBCVAIFVXLD-NRFANRHFSA-N 382.504 3.554 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224429361 DCJZGVFUBCVWDJ-CQSZACIVSA-N 394.924 3.689 0 40 GHAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223378053 QHCPLTIIHVVKQQ-LEWJYISDSA-N 392.528 3.702 0 40 GHAB CC(C)CNC(=S)Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1 225893478 RVXZAMXJZGAHES-UHFFFAOYSA-N 375.929 3.635 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 225528066 FWGVLEDNFVYGHS-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)ccc1OC1CCCC1 1585170006 VCZMWUBZGNWZDG-UHFFFAOYSA-N 397.866 3.772 0 40 GHAB CCOc1ccc(CCCNS(=O)(=O)c2cc(Cl)ccc2OC)cc1 223513938 HPMQSMDYAIAPOV-UHFFFAOYSA-N 383.897 3.658 0 40 GHAB CC(C)N(C[C@@H]1CCCN(C(=O)c2ccccc2O)C1)C(=O)OC(C)(C)C 48293136 XBGNAKMVWPSRML-MRXNPFEDSA-N 376.497 3.890 0 40 GHAB O=C(Nc1ccccc1OC(F)(F)F)c1ccnc(OC2CCOCC2)c1 245174479 YOMNARPONYFBBE-UHFFFAOYSA-N 382.338 3.790 0 40 GHAB C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)CN2CCCCC2)C1 257213690 CIRAKSMSJMZEJJ-HSZRJFAPSA-N 399.510 3.771 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)C1 257296521 RDEPUWQJWMJRGU-WRNWEHMKSA-N 395.547 3.869 0 40 GHAB COCCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccccc2)[C@@H]1c1ccccc1C 257233230 GOIUMEAEAOUEKY-GGAORHGYSA-N 394.515 3.580 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)Cc2cccc(C)c2)c2ccccn2)CC1 257277059 NWGWAWFODDJARA-ZILOHOTNSA-N 393.531 3.733 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(OC)cc2)[C@@H]1c1ccccc1F 257283035 OWNOAHKXRMDRII-KNQAVFIVSA-N 398.478 3.793 0 40 GHAB COc1cccc([C@H]2C[C@H](NC(=O)N[C@@H]3CCO[C@H]3c3cnn(C(C)C)c3)C2)c1 665051767 GMRZRMCERKZJNL-DWIQEWEKSA-N 398.507 3.548 0 40 GHAB Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 648968135 TURXRRUOTFVTBK-KGLIPLIRSA-N 382.895 3.648 0 40 GHAB O=C(NS(=O)(=O)Cc1cccc2ncccc12)[C@@H]1CC[C@@H](c2ccccc2)C1 585123640 SKNRAURUUQMSLW-QZTJIDSGSA-N 394.496 3.765 0 40 GHAB Cc1cn2nc(C(=O)N3CCC(C)CC3)cc2c(N(C)Cc2ccccc2)n1 169768793 AEXLLNIPRMCSHI-UHFFFAOYSA-N 377.492 3.546 0 40 GHAB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)Cc4ccccc4)cc3)C(=O)[C@@H]2C1 5919935 JXAHSHSWTHRZOW-CDHQVMDDSA-N 377.440 3.760 0 40 GHAB CC(C)c1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4CCCC4)ncc32)no1 12220458 FHRLAKOWJWCMPD-MRXNPFEDSA-N 383.496 3.632 0 40 GHAB COc1ccc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1 12416044 XQEOUTJRVIRQEH-UHFFFAOYSA-N 386.407 3.957 0 40 GHAB O=C(O)/C=C\C(=O)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 16673011 UPTRTMBDERTHBA-KHPPLWFESA-N 393.424 3.642 0 40 GHAB Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2cc(C(C)C)no2)on1 19121379 JHOFGMABBQGOTR-MRXNPFEDSA-N 383.452 3.862 0 40 GHAB COc1ccc(CC(=O)NCc2nnc(-c3cccs3)o2)c2ccccc12 19552973 LFDSTBAPVRLQMO-UHFFFAOYSA-N 379.441 3.819 0 40 GHAB COc1ccccc1CN1CCCC[C@H]1c1cc(O)nc(-c2ccncc2)n1 19570410 AMEZFZOSTQYMQG-IBGZPJMESA-N 376.460 3.980 0 40 GHAB COc1ccc2cnc(C3CCN(CC(=O)c4cncc(O)c4)CC3)cc2c1C 19582763 RXZTZSJDSKBEBB-UHFFFAOYSA-N 391.471 3.715 0 40 GHAB O=C(Nc1c[nH]nc1[C@H]1CCCN(Cc2ncccc2Cl)C1)C1CCCC1 528442606 ZODMULAJUFQXOF-HNNXBMFYSA-N 387.915 3.966 0 40 GHAB COCCC(=O)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 643550814 NSVIDHCNVADLIV-OAHLLOKOSA-N 398.894 3.792 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)c1cn(-c2ccccc2C(F)(F)F)nn1 32656866 JBLTZZNQLDFKIM-UHFFFAOYSA-N 399.376 3.740 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)N1CCC[C@@]2(CCCN(c3ncccn3)C2)C1 2056224123 JWDYGKRKSCIWGN-HXUWFJFHSA-N 387.434 3.669 0 40 GHAB CCOc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(C(C)=O)cc3)oc12 999722 ITSIMOHSFOFZQG-GYHWCHFESA-N 392.411 3.543 0 40 GHAB Cc1ccc(Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3ncccc32)cc1 9660693 GJIIUPVYOIULDY-UHFFFAOYSA-N 391.858 3.617 0 40 GHAB O=C(CCCSc1ccc(NC(=O)C2CC2)nn1)Nc1ccc(F)c(F)c1 11793817 HLCKPQVDQPOGHR-UHFFFAOYSA-N 392.431 3.614 0 40 GHAB O=C(NCc1ccc(-c2ccoc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 575609842 ICISZXNBYGORGD-UHFFFAOYSA-N 378.306 3.813 0 40 GHAB CCOC(=O)[C@H](CC)Sc1ccc2nnc(-c3ccc(OCC)cc3)n2n1 4165114 IQJZXFOXGWSHLJ-HNNXBMFYSA-N 386.477 3.624 0 40 GHAB COc1ccc(C)cc1NC(=O)COC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 10948187 HHXRHRCXBIPMFN-MBOZVWFJSA-N 391.508 3.963 0 40 GHAB O=C(O)CC1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 20064826 IKQFQTHASNTFMG-INIZCTEOSA-N 388.217 3.824 0 40 GHAB COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C 783412 DJVLVOHRRQUBOZ-UHFFFAOYSA-N 397.500 3.792 0 40 GHAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 24834474 NUMPONSVUCKBEQ-GFCCVEGCSA-N 377.238 3.533 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1nnc(COc2ccc(F)cc2)s1 897843 OLRBZHQVNAMDKO-UHFFFAOYSA-N 389.408 3.526 0 40 GHAB Cc1ccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 3666812 QBQCZKREGRRDND-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](CN5CC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 4896646 CJUKMDBJDPZAEN-XNRLKVGWSA-N 385.548 3.992 0 40 GHAB CC(C)c1ccc(C(=O)OCC(=O)c2cc3c4c(c2)CC(=O)N4CCC3)cc1 6590865 JHWZBRZGKAJFFJ-UHFFFAOYSA-N 377.440 3.685 0 40 GHAB CCCCNC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 6648186 HAJPWBXDFYYTSQ-QGZVFWFLSA-N 388.533 3.575 0 40 GHAB CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(C)c(F)c2)cc1OCC 7962492 CKRKJTMAMOZEGE-UHFFFAOYSA-N 388.439 3.642 0 40 GHAB Cc1ccc(N(C(=O)c2ccc(=O)n(-c3ccccc3)n2)C2CCCCC2)nc1 108204023 LMRBBTMYHKZBRP-UHFFFAOYSA-N 388.471 3.915 0 40 GHAB Cc1ccc(NC(=O)c2sc3ncn(C[C@@H]4CCCO4)c(=O)c3c2C)cc1C 35673382 UKRBTTDJAFHLCR-INIZCTEOSA-N 397.500 3.815 0 40 GHAB COCc1ccc(CNC(=O)[C@H](C)Oc2ccc(C)cc2Br)cc1 44501275 HDFKIZIKQADLSG-AWEZNQCLSA-N 392.293 3.988 0 40 GHAB CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)c1cccc2ccccc12 58024565 AEVXHJMDGQOMML-HXUWFJFHSA-N 383.469 3.731 0 40 GHAB Cc1cc(=O)oc2cc(OC(=O)CCCNC(=O)OCc3ccccc3)ccc12 2150474 FWMPBVXLXVVLNT-UHFFFAOYSA-N 395.411 3.713 0 40 GHAB biogenic CCOc1ccccc1NC(=S)NC(=O)c1ccccc1Br 2137197 ULHDQQOSSIUYQM-UHFFFAOYSA-N 379.279 3.975 0 40 GHAB COc1ccc(-c2csc3ncnc(N[C@@H]4CC(=O)N(C(C)C)C4)c23)cc1 58232507 YNHZROIVQOMORR-CQSZACIVSA-N 382.489 3.788 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1c1ncnc2ccccc12 11246832 MHPWCGNUKQLTBT-QGZVFWFLSA-N 382.851 3.899 0 40 GHAB COc1cccc(-c2nc(CSc3nnnn3Cc3ccco3)cs2)c1 11309909 AKWXGWBCYXUEEH-UHFFFAOYSA-N 385.474 3.739 0 40 GHAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(-n2cncn2)cc1 11406929 DOYCRINXOBVBFM-MRXNPFEDSA-N 387.443 3.732 0 40 GHAB Cc1cc(C)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c(C(=O)O)c1 60360593 KELDIYVHLBFKJA-UHFFFAOYSA-N 396.424 3.521 0 40 GHAB Cc1ccc(-n2cnnc2SCC(=O)N2CCc3sccc3C2)cc1C 26708591 QYPMWVXUIXJOHQ-UHFFFAOYSA-N 384.530 3.623 0 40 GHAB O=C(CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)N1CCOCC1 12420988 JBQILUSKPXOSJK-UHFFFAOYSA-N 399.903 3.901 0 40 GHAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2sc3ccccc3c2s1 61625353 ZEGLKTUFTJNOGT-CQSZACIVSA-N 380.494 3.942 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 12521369 HOZMDKNNTLRIDG-HUUCEWRRSA-N 390.480 3.745 0 40 GHAB c1csc(-c2nc(Sc3ccc4nnnn4n3)[nH]c2-c2cccs2)c1 12547658 QZFRMKPKQQXKSR-UHFFFAOYSA-N 383.487 3.851 0 40 GHAB CN(C)[C@@H](CNc1ncnc2c1cnn2-c1ccc(F)cc1)c1cccs1 12785805 MIELNHUCEBKNFF-INIZCTEOSA-N 382.468 3.731 0 40 GHAB COc1cccc(NC(=O)c2cnc3scc(-c4ccc(F)cc4)n3c2=O)c1 20767930 WXLOOLXEZGLMIW-UHFFFAOYSA-N 395.415 3.823 0 40 GHAB COc1ccc(C)cc1/C=C/C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 12802206 DAEXVRSUWDNKCX-PKNBQFBNSA-N 392.499 3.572 0 40 GHAB c1ccc(-n2ncc3c(N4CCC[C@@H]4c4ccc5c(c4)OCCO5)ncnc32)cc1 12808031 NPIDPEVBRBFDOZ-LJQANCHMSA-N 399.454 3.928 0 40 GHAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)nc3)o2)cc1 12896074 KKKCLNFHPCCVCE-UHFFFAOYSA-N 391.427 3.633 0 40 GHAB Cc1nc(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1ccc(F)cc1 12881645 GZMFMEKNRNGHMS-UHFFFAOYSA-N 378.329 3.664 0 40 GHAB CCOc1ccc2oc(C(=O)OCC(=O)NCc3ccc(OC)cc3)c(C)c2c1 3412712 RXCBGHOOALMXAQ-UHFFFAOYSA-N 397.427 3.622 0 40 GHAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1cccc2ccccc12 3600681 SOQWVCHFQSHPHW-DEOSSOPVSA-N 399.450 3.562 0 40 GHAB CCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(=O)c2cc(Cl)ccc21 22234909 AXUOAJNBVCISGX-UHFFFAOYSA-N 384.819 3.698 0 40 GHAB O=c1n(Cc2ccccc2)c2sc3c(c2c2nc(-c4cccnc4)nn12)CCC3 13721954 CFSBLKOVEDRMCZ-UHFFFAOYSA-N 399.479 3.705 0 40 GHAB CC(C)n1c(CN2CCOCC2)nc2cc(NC(=O)c3cccs3)ccc21 65322427 ZPHSLYMWKFHJPS-UHFFFAOYSA-N 384.505 3.763 0 40 GHAB COc1ccc(NC(=O)[C@@H](OC(=O)c2cnccn2)c2ccccc2)cc1Cl 6486107 VRAVNPQUNBQHSI-SFHVURJKSA-N 397.818 3.675 0 40 GHAB CCC(=O)c1ccc(OCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 14184082 XZGNMTIYTQPLRY-UHFFFAOYSA-N 377.444 3.502 0 40 GHAB C[C@@H]1c2cccn2CCN1CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 14241990 OXYACDZGAPAPLL-VFNWGFHPSA-N 383.492 3.971 0 40 GHAB Cc1cc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)ccc1N1CCCC1=O 20459889 ZJNFNPHFQSLMEY-UHFFFAOYSA-N 392.908 3.596 0 40 GHAB O=C(Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1cccs1 4705165 GWWVKSCKJIBPRD-UHFFFAOYSA-N 384.438 3.528 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)n1nc(-c2ccccc2)ccc1=O 6767279 XFVJCSLHMIVVQH-FQEVSTJZSA-N 375.428 3.703 0 40 GHAB CC(C)N1C(=O)S/C(=C\c2cn(CC(=O)N3CCCC3)c3ccccc23)C1=O 409132583 KWBOVSBUFOPUDV-WQRHYEAKSA-N 397.500 3.708 0 40 GHAB CC(=O)c1cccc(N[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 6832023 SNHHYYNUMZSIEQ-INIZCTEOSA-N 377.227 3.940 0 40 GHAB CCc1ccccc1NC(=O)[C@@H]1Sc2nnc(CC)n2N[C@H]1c1ccccc1 6811833 XQZMPXKNBNHZFT-RBUKOAKNSA-N 393.516 3.801 0 40 GHAB CCOc1ccccc1CNC(=O)COCc1cc(-c2ccc(F)cc2)on1 20190140 UZLKYZNOUVVFFU-UHFFFAOYSA-N 384.407 3.712 0 40 GHAB Cc1nccn1CCCC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1 71831239 VWQUCNICKZAQBA-UHFFFAOYSA-N 392.544 3.706 0 40 GHAB O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2ccncc2)cs1 7983878 UVJAZECOXRKVRQ-UHFFFAOYSA-N 386.864 3.617 0 40 GHAB CC(=O)N1C[C@H](C(=O)Nc2ccc(N3CCCCCC3)cc2)Oc2ccccc21 8189978 ARFHBKZRYAOGIU-JOCHJYFZSA-N 393.487 3.820 0 40 GHAB CCN(CC)C(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1CC 8745085 WZLKGDHZXWACFK-UHFFFAOYSA-N 391.518 3.698 0 40 GHAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OC 409238843 MCRNQEXDQGVCIF-OQLLNIDSSA-N 385.869 3.820 0 40 GHAB COc1ccc(NC(=O)N2CCN(c3nsc4ccccc34)CC2)c(OC)c1 9874810 MFPYKVQHUNYCCQ-UHFFFAOYSA-N 398.488 3.668 0 40 GHAB C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)NCc1cccc(C(N)=O)c1 84637161 PZRPSKIVPJAHME-APWZRJJASA-N 389.540 3.833 0 40 GHAB Cc1cn2cc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)ccc2n1 95393794 YLGBQIVXQSVBCC-UHFFFAOYSA-N 377.448 3.525 0 40 GHAB O=C(CCCOc1ccccc1Cl)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 95432781 UFIAQFWZJKXLOZ-CRAIPNDOSA-N 390.911 3.501 0 40 GHAB CC1CCN(c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 408708229 OSISYYIXLLMUSN-SFHVURJKSA-N 377.488 3.915 0 40 GHAB Cc1ccc(OCC(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)c(C)c1 20609599 WRYBTKHWKRBJJY-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc2cn[nH]c2c1 25790573 DXGQBVDIUKSNPK-NSHDSACASA-N 387.823 3.717 0 40 GHAB CN(c1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1)S(C)(=O)=O 409109645 IRLQEGHMOLUBFJ-UHFFFAOYSA-N 398.937 3.608 0 40 GHAB Cc1ccnc2nc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)nn12 21799270 HONGWWYBYAITFO-UHFFFAOYSA-N 394.504 3.609 0 40 GHAB COc1cccc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 306131492 KGKATXHBRWBYCU-IBGZPJMESA-N 391.519 3.718 0 40 GHAB Cc1ccc(N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 219853474 GKZYXUXVINWZLN-UHFFFAOYSA-N 381.495 3.699 0 40 GHAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1nc(C(=O)OCC)cs1 71282329 QBDVDZNEBDFEDR-UHFFFAOYSA-N 390.490 3.772 0 40 GHAB O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1ccc2[nH]ccc2c1 71284742 CXSUAXFTFGQVLQ-UHFFFAOYSA-N 378.819 3.684 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219363119 GKWVHMDPHSOSKQ-GOSISDBHSA-N 381.432 3.561 0 40 GHAB COc1ccc(OCC(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)cc1 36398539 MYRJGKIMFAEXFL-GOSISDBHSA-N 382.504 3.622 0 40 GHAB O=C(Cc1cccnc1)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 72362364 OXTVWCQRUQBZLN-QGZVFWFLSA-N 392.434 3.752 0 40 GHAB CCOc1ccc(NC(=O)CSCc2cc(=O)c3cc(F)ccc3[nH]2)cc1 33064203 WTQVJACTNWSPRW-UHFFFAOYSA-N 386.448 3.938 0 40 GHAB Cn1ccc2c(NC(=O)Cn3nc(-c4ccc(Cl)cc4)ccc3=O)cccc21 71284796 ZSRJRCVTFXWMBP-UHFFFAOYSA-N 392.846 3.694 0 40 GHAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 225447527 OPDFWYDVQIGXQM-JOCHJYFZSA-N 380.532 3.914 0 40 GHAB C[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C(C)(C)C)cc1 222417361 APDZQTOCJHEJPI-OAHLLOKOSA-N 388.533 3.871 0 40 GHAB CCc1noc(-c2ccc(SCC(=O)NCc3ccc(Cl)cc3)nc2)n1 49405662 AFBSSKKPSSNXMP-UHFFFAOYSA-N 388.880 3.756 0 40 GHAB CN(c1ccc(C(=O)N2CCCC(C)(C)C2)cc1)S(=O)(=O)c1cccs1 224186773 JDULTVXIVREWAW-UHFFFAOYSA-N 392.546 3.835 0 40 GHAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Sc2ccccc2)c1 225409581 OQDAIIHDCGUHHD-UHFFFAOYSA-N 398.509 3.998 0 40 GHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C 224091112 FFKMYAIBTLIJBD-IBGZPJMESA-N 396.531 3.785 0 40 GHAB COC[C@H](CCO)NC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 573610934 SDCKNUCORIPQIE-HNNXBMFYSA-N 399.422 3.685 0 40 GHAB C[C@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NCc3ccco3)n2)C1 225913538 PLKWZUZXFUWIQY-NSHDSACASA-N 399.442 3.811 0 40 GHAB COc1cccc(CC(=O)N2CC[C@@H]3[C@H](CCCN3C(=O)C3=CCCCC3)C2)c1 20998850 HDGWONOEEYLXBU-IFMALSPDSA-N 396.531 3.578 0 40 GHAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)N1CCCCCC1 225820193 CYNVQWSWPBVBIY-UHFFFAOYSA-N 378.270 3.834 0 40 GHAB COC(=O)c1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1C 148961980 BWYBYMCJPCWHGR-UHFFFAOYSA-N 377.444 3.896 0 40 GHAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccoc1)CC2 96037028 APVZTBSGUSCERE-UHFFFAOYSA-N 376.504 3.970 0 40 GHAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]2(C[C@H](CNc3ccccn3)CO2)C1 96075746 KNVNPAUFSTVXNR-UZUQRXQVSA-N 390.487 3.686 0 40 GHAB CC(=O)N1CCC2(CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 96157096 YUGLEHNBTZJDEQ-UHFFFAOYSA-N 388.817 3.833 0 40 GHAB C[C@@H]1CC[C@@H]2C(=CC[C@H](O)C2(C)C)[C@@]1(C)Cc1c(O)cc(CO)c(C=O)c1O 96111552 KCAICXOYUFVURO-QDMWDPJJSA-N 388.504 3.715 0 40 GHAB biogenic,in-vitro O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H](c3cc(CO)[nH]n3)C2)cc1 257230096 GAUUQMPOLJWYFO-SFHVURJKSA-N 391.471 3.647 0 40 GHAB CC[C@@H](CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1)OC 257252973 JWZWDLFDJSQXMB-NRFANRHFSA-N 382.504 3.629 0 40 GHAB O=C(N1CCC[C@@H](Cc2ccccn2)C1)C1(Cc2ccccc2)CCOCC1 257326871 WYYNHUWPALUALM-NRFANRHFSA-N 378.516 3.902 0 40 GHAB COc1cc(C)ccc1CN1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 257318320 VNJXJHRVVZBENY-HXUWFJFHSA-N 391.475 3.506 0 40 GHAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 257249299 JHPBQUQFLRXRBS-CBGDNZLLSA-N 397.567 3.941 0 40 GHAB COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)NCC[C@@H]1CC1(F)F 621417129 NSNXHYKNAJCMCT-OAHLLOKOSA-N 395.450 3.878 0 40 GHAB Cc1nc2ccccc2n1CCCNC(=O)c1cc(-c2cccc(F)c2)no1 612175615 NOYOIASYYCVBIG-UHFFFAOYSA-N 378.407 3.959 0 40 GHAB C[C@H]1CCCCN1Cc1ccc(NC(=O)c2cccc(Cn3cncn3)c2)cc1 624232826 NIOMOLDAVIXHCM-SFHVURJKSA-N 389.503 3.953 0 40 GHAB Cc1cccc(-n2ncc(NC(=O)NC3(c4cc(C)no4)CCOCC3)c2C)c1 626595856 QVTWTEZYSNZQIL-UHFFFAOYSA-N 395.463 3.613 0 40 GHAB Cc1cccc(NC[C@H]2CCCN2C(=O)c2csc(-c3ncccc3F)n2)n1 1116441591 YYDAVEPKGIMSFD-CQSZACIVSA-N 397.479 3.764 0 40 GHAB O=C(NCc1cscn1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 652253215 KVNSAAWLBHTZSU-UHFFFAOYSA-N 376.429 3.708 0 40 GHAB Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCC1(S(C)(=O)=O)CCCC1 661178345 UYJFECDWCOGAHC-KRWDZBQOSA-N 378.538 3.507 0 40 GHAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1nnc2ccccc21 90593278 VVPFILGDENIRCS-UHFFFAOYSA-N 397.891 3.833 0 40 GHAB CC[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)Oc1ccc(Cl)c(Cl)c1 606445739 KVNCLAJTAPJHDC-GFCCVEGCSA-N 398.290 3.650 0 40 GHAB COC(=O)N1CCc2ccc(NS(=O)(=O)c3cccc(Cl)c3C)cc2C1 96096305 RNVHBZWVVLYDBT-UHFFFAOYSA-N 394.880 3.574 0 40 GHAB COc1ccc(CNCc2ccc(N3CCc4ccccc4C3)nc2)cc1O 48743874 GPLADBNJZCTCNQ-UHFFFAOYSA-N 375.472 3.648 0 40 GHAB O=Cc1cc(Br)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 2658959 HJKHQZOJHMSWIA-QGZVFWFLSA-N 388.261 3.834 0 40 GHAB CC[C@H]1COc2ccccc2OCCOCCOc2ccccc2OCCO1 5469073 RAHHCDCGDZBPRS-SFHVURJKSA-N 388.460 3.727 0 40 GHAB COC(=O)[C@@H]1CP2(C)(C)N(C)C(=O)N2C1(c1ccccc1)c1ccccc1 5518077 STNGTAMSOBPAQR-SFHVURJKSA-N 384.416 3.743 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)cc2n1 12220388 FSOVFEXBQMKOQB-LSDHHAIUSA-N 396.413 3.714 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1cc(Br)ccc1F 15554330 PWBFUSYAZXALSO-XVNBXDOJSA-N 392.224 3.989 0 40 GHAB O=C(CN1CCN(CC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 19366699 CDKYFIXVETUUNB-UHFFFAOYSA-N 391.298 3.677 0 40 GHAB O=C(N[C@@H]1C[C@H]1C1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 607707053 NUAYGVIQKCNKQX-DLBZAZTESA-N 381.925 3.731 0 40 GHAB CC[C@@H](CC(=O)N1CCC(O)(Cn2ccnc2C)CC1)c1c[nH]c2ccccc12 12143527 LGFGYVMYVQKZFM-SFHVURJKSA-N 394.519 3.610 0 40 GHAB CC(C)c1ncc(CN2Cc3ccccc3OC3(CCC(CO)CC3)C2)cn1 12365622 GBJVGSGRQGSONL-UHFFFAOYSA-N 381.520 3.916 0 40 GHAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1SC(F)F 14603437 BDKYCRPRUBBDEV-VXGBXAGGSA-N 382.432 3.505 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2)C1 19591735 ZYRBIXOWPCRIKK-VWLOTQADSA-N 385.511 3.929 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1ccc2ccccc2c1 2645922 PESFHUKSCHNQEI-UHFFFAOYSA-N 394.446 3.523 0 40 GHAB COC(=O)N[C@H](NC(=S)Nc1cc(C)ccc1C)C(Cl)(Cl)Cl 3012383 YUIJZJNGOZIXOP-JTQLQIEISA-N 384.716 3.642 0 40 GHAB COC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl 3012379 SVCOGUKXXTVQKM-JTQLQIEISA-N 384.716 3.642 0 40 GHAB Nn1c(COc2ccc(Cl)cc2)nnc1SCCOc1ccc(F)cc1 4986812 FDTSBKRDAOAUON-UHFFFAOYSA-N 394.859 3.535 0 40 GHAB O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)Nc1ccccc1 23618475 OQZYAILQXDXHLO-UHFFFAOYSA-N 380.879 3.649 0 40 GHAB O=C(Nc1nc2ccccc2s1)[C@H]1CC=CC[C@H]1C(=O)OC[C@@H]1CCCO1 4415951 KZZBVJOVYOZMPX-SOUVJXGZSA-N 386.473 3.539 0 40 GHAB COc1ccc(NC(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1OC 9573820 SBJFUOKUHQBVCW-UHFFFAOYSA-N 392.415 3.656 0 40 GHAB Cc1cc(C)c2nc(N(Cc3cccnc3)C(=O)c3ccnn3C)sc2c1 12444254 OBKTZGAEVGLEBM-UHFFFAOYSA-N 377.473 3.889 0 40 GHAB COc1ccc(NC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)cc1 16842258 DMSHUQHPUFIKMV-UHFFFAOYSA-N 397.431 3.706 0 40 GHAB CC[C@H](OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 23224658 VIQBAUPXISBFMX-VXKWHMMOSA-N 388.939 3.991 0 40 GHAB CC(C)c1cc(=O)n(CC(=O)NCCC(c2ccccc2)c2ccccc2)cn1 36703844 INYOSOYMLOSUMF-UHFFFAOYSA-N 389.499 3.705 0 40 GHAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@H](Oc2ccncc2Cl)C1 575611146 ARODNVJZHBWVJM-INIZCTEOSA-N 396.878 3.819 0 40 GHAB COC(=O)c1ccc(C(=O)NCc2ccc([C@@H](O)c3ccsc3)s2)cc1 207965430 ULMJHJXVECUFPB-KRWDZBQOSA-N 387.482 3.608 0 40 GHAB COC(=O)c1ccccc1NC(=O)CSc1ncnc2c1oc1ccccc12 5500109 XZDWUXKADNCSJW-UHFFFAOYSA-N 393.424 3.893 0 40 GHAB COc1cc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)ccc1C 40056824 PHSYAOIVLCDJGM-UHFFFAOYSA-N 388.467 3.755 0 40 GHAB O=C(Nc1cccc(N2CCOC2=O)c1)c1cc(F)ccc1Br 40074139 PTIWQXXQJRJOQJ-UHFFFAOYSA-N 379.185 3.797 0 40 GHAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1cc(C)sc1C 40080882 IDCRRDJOOZOSAT-IUODEOHRSA-N 380.535 3.687 0 40 GHAB C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCC(c3ccccc3)CC2)C1=O 32366906 YZIATVOVTXIIIP-KRWDZBQOSA-N 378.472 3.597 0 40 GHAB C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(COc2ccccc2)cc1 32295243 DVBNBVMLIJYSHP-GOSISDBHSA-N 388.467 3.700 0 40 GHAB CC[C@@H](C)C(=O)Nc1cccc(CNc2cc(C(F)(F)F)nc3ncnn23)c1 52358093 NPUBABFDHAJJDE-LLVKDONJSA-N 392.385 3.740 0 40 GHAB CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)c1ccc2c(c1)CCC2 21468734 VHZDREWXLHSLGP-CQSZACIVSA-N 394.500 3.913 0 40 GHAB COc1ccc(N[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1Cl 102396846 JTICENFQHJRZKI-AWEZNQCLSA-N 383.206 3.885 0 40 GHAB CC(C)CNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 660128 JYSYNLWIKBDJKV-QFIPXVFZSA-N 382.529 3.889 0 40 GHAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCC(c2nc3ccccc3o2)CC1 23058407 BEYHARVMDORDGZ-UHFFFAOYSA-N 389.455 3.974 0 40 GHAB COc1cc(NC(=S)N2CCN(c3ccccc3)CC2)c(OC)cc1Cl 986463 FMYLSLYXPNRECY-UHFFFAOYSA-N 391.924 3.876 0 40 GHAB CCCn1c(SCC(=O)Nc2ccccc2C(=O)OCC)nnc1C(C)C 1364255 VOKZNQFOXXHVIY-UHFFFAOYSA-N 390.509 3.719 0 40 GHAB CCN1CCC[C@@H]1CN/C=C1/C(=O)N(c2ccccc2C)C(=O)c2ccccc21 2198333 BZULJISVOWCXJN-WKSXIXGESA-N 389.499 3.597 0 40 GHAB CCCSc1nnc2c(n1)O[C@H](c1ccncc1)N(C(C)=O)c1ccccc1-2 2470454 ITACOTSJBLRKEB-LJQANCHMSA-N 393.472 3.880 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(=O)cc(N)n2-c2cccc(C)c2)cc1 2751201 RBHPPXCDJJNWBM-HNNXBMFYSA-N 394.500 3.551 0 40 GHAB CCOC(=O)c1c(NC(=O)C2CC2)sc(C(=O)NC2CCCCC2)c1C 2758820 DGOXRGUDNUZGCA-UHFFFAOYSA-N 378.494 3.644 0 40 GHAB CC1CCN(C[C@H](C)NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C2CC2)CC1 2782157 IEEZDAXKFHOJQQ-UONOGXRCSA-N 386.462 3.577 0 40 GHAB CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cccc(Oc3ccccc3)c2)cc1 3279522 RAORWFDVQXBYBQ-UHFFFAOYSA-N 397.452 3.948 0 40 GHAB O=C(CCOc1ccccc1F)OCC(=O)c1ccc(Br)s1 3315142 CGJXGPRHENYEDX-UHFFFAOYSA-N 387.226 3.845 0 40 GHAB CCCCCCn1c(COc2ccccc2F)nnc1S[C@H]1CCOC1=O 3316094 YTPSFPVPVHMNBJ-INIZCTEOSA-N 393.484 3.984 0 40 GHAB COc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(C)c3O)n2)cc1 3371361 QDGSJSPTZWRFIH-UHFFFAOYSA-N 398.440 3.628 0 40 GHAB CCOc1ccc(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 3406590 OIGLOALMYNOJCF-UHFFFAOYSA-N 379.412 3.698 0 40 GHAB O=c1cc(CSc2nc(-c3ccccc3)n[nH]2)nc2sc3ccccc3n12 3413331 KRGHEGBIFJTVCQ-UHFFFAOYSA-N 391.481 3.987 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1OC 3474104 WZXALCBLLUMWET-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB CC(=O)c1ccc(N2C(=O)C[C@H](Nc3cccc(C(F)(F)F)c3)C2=O)cc1 3504122 DBGFJQCPMJKEQH-INIZCTEOSA-N 376.334 3.652 0 40 GHAB CCc1nc2ccccc2c(C(=O)OCC(=O)NCCc2ccccc2)c1C 3529969 GXOAVUBUPFBHGE-UHFFFAOYSA-N 376.456 3.621 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1ccc(Cl)cc1 4556470 XOXKERJHGDVLGG-QFIPXVFZSA-N 398.890 3.591 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2C)c1 4947608 PFEBXJSYMGBWIZ-ZDUSSCGKSA-N 384.461 3.705 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 5212180 PMTKKDWISWWFEN-APWZRJJASA-N 394.471 3.791 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccccc1-c1ccccc1 5263089 GCZWROQPIHSYEO-UHFFFAOYSA-N 399.450 3.628 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2cccs2)c1 5859406 YWMIABYOGPDAMX-PKNBQFBNSA-N 378.519 3.739 0 40 GHAB O=C(COc1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 6585724 RTHWCOYMEHRFKX-QGZVFWFLSA-N 398.768 3.606 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1ccc(F)c(Cl)c1 6762739 CXTWAWKRKVTQPK-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 6835279 SLRJNRWAHHMJLC-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2c(C)cccc2CC)cc1 6880269 UXSSZFPMMUWOCI-UHFFFAOYSA-N 388.533 3.817 0 40 GHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccsc3)cc2)C1 6929668 SNHKAHLHUCKCGD-GJZGRUSLSA-N 392.546 3.596 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1O 6957393 CEGUUMRLGVSMAK-UHFFFAOYSA-N 381.384 3.993 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc(F)cc2F)n1C 7236455 ZQELLGMBVACEJK-JTQLQIEISA-N 392.431 3.631 0 40 GHAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)NC1CCCCCC1 7876659 GLLIECXXBQEPTA-CQSZACIVSA-N 385.537 3.995 0 40 GHAB CCN1CCOc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2C1=O 9170672 TVTACOFIMNZRQX-UHFFFAOYSA-N 378.350 3.812 0 40 GHAB O=C1c2ccccc2N[C@@H](c2cnn(Cc3ccccc3)c2)N1C[C@@H]1CCCO1 9471073 YIQVQSPDVGNSDQ-SIKLNZKXSA-N 388.471 3.677 0 40 GHAB O=S1(=O)N[C@H](Cc2ccc(-c3cccc(Cl)c3)o2)[C@@H](O)c2ccccc21 9530871 OXOQJMFWMFMSDI-APWZRJJASA-N 389.860 3.537 0 40 GHAB Cc1c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cnn1C 10308610 WRBUWCPWTOLHPY-UHFFFAOYSA-N 389.434 3.650 0 40 GHAB Cc1ccccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10324255 LMNSQUUGJBSPJK-CQSZACIVSA-N 380.897 3.750 0 40 GHAB COc1ccc([C@H]2CC(=O)c3cnc(NC4Cc5ccccc5C4)nc3C2)cc1 10494402 QQGKCNQOXSIDRM-GOSISDBHSA-N 385.467 3.977 0 40 GHAB O=C(CNC(=O)c1cccc(F)c1)NCc1ccc(-c2ccc(Cl)cc2)o1 10811196 KVBJCFFTSBTUKJ-UHFFFAOYSA-N 386.810 3.785 0 40 GHAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c(C)c1 10899051 GHCXRNHHPGBTOU-CVTTXWKISA-N 378.472 3.864 0 40 GHAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc2ccccc12 11460418 QDYSMAMNCXQIKV-CQSZACIVSA-N 386.407 3.865 0 40 GHAB COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@H]1c1cccc(C#N)c1 11559333 HAKATKQBZDYNMR-IBGZPJMESA-N 395.459 3.889 0 40 GHAB COC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CCCC2 12062610 CIWORNCPGPYYPH-UHFFFAOYSA-N 383.425 3.772 0 40 GHAB COc1cc(CN2C[C@H](c3ccccc3)C3(CCCC3)C2)ccc1OCC(N)=O 12228164 YOGICIJIMOLDIR-HXUWFJFHSA-N 394.515 3.719 0 40 GHAB CC(=O)N1CCCc2cc([C@H](O)CN3CCC(Cc4ccccc4)CC3)ccc21 12326498 XPAIBSGIZFUMQR-RUZDIDTESA-N 392.543 3.974 0 40 GHAB COc1cc(CN2CCC(O)(c3ccccc3OC)CC2)c(Cl)cc1O 12344425 WJMHFTLVVMAMLN-UHFFFAOYSA-N 377.868 3.546 0 40 GHAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)Nc3cc(F)ccc3C)cnc12 12414950 MJBLTDGKIBWMSE-UHFFFAOYSA-N 396.447 3.709 0 40 GHAB Cc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(C)cc4)no3)N(C)C2)cc1 12529729 XWDLJDFICLMZBL-OALUTQOASA-N 376.460 3.529 0 40 GHAB biogenic,in-vitro CCCOc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 12606618 MTKKLZGUMNALFO-UHFFFAOYSA-N 396.487 3.914 0 40 GHAB CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccco2)nc2ccccc12 12752563 DMZDSFUVLRNLDH-CYBMUJFWSA-N 398.488 3.852 0 40 GHAB Cc1ccc(Cc2cnc(NC(=O)c3nc4nccc(C)n4n3)s2)cc1Cl 12775018 WCKPLVXTVQSTSD-UHFFFAOYSA-N 398.879 3.694 0 40 GHAB Cc1c(Cl)cccc1Nc1nnc(S[C@H](C(=O)NC(N)=O)C(C)C)s1 12809355 CEGQHAFLCSDMOE-NSHDSACASA-N 399.929 3.555 0 40 GHAB CCN(CC(=O)Nc1ccccc1OC)Cc1cccc(Br)c1 12868012 ADIITHMBPGGDTB-UHFFFAOYSA-N 377.282 3.918 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)ccc12 12892294 DXOBBHATXXRXCY-HNNXBMFYSA-N 390.439 3.709 0 40 GHAB biogenic C[C@H](NC(=O)CN[C@H](C)c1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCC2 12996595 XRTJIBQYZVOVRU-SJORKVTESA-N 394.515 3.865 0 40 GHAB c1ccc(-c2cnc(N3CCN(c4ccccn4)CC3)nc2-c2ccco2)nc1 13268001 JQUHLMIUVMDHPK-UHFFFAOYSA-N 384.443 3.520 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712078 DGJWKJBQIGKLRK-INIZCTEOSA-N 396.896 3.532 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1C 14091612 MYDXLVYDQBXMNJ-UHFFFAOYSA-N 396.516 3.708 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C 14120661 AAYYRAFCVSEKTD-OAQYLSRUSA-N 387.455 3.718 0 40 GHAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)c1 14831692 JUPYCKWUMOJIAN-UHFFFAOYSA-N 385.489 3.807 0 40 GHAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@@H](c2nnc(-c3cccs3)o2)C1 19293463 XBBOQSCARAKEPM-LLVKDONJSA-N 395.893 3.630 0 40 GHAB COc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CC1 19570546 GRQHMHMIQCTZAU-ACRUOGEOSA-N 396.556 3.983 0 40 GHAB CO[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2)C1 19657348 XGTGZRXYKJLWDG-FUHWJXTLSA-N 379.464 3.552 0 40 GHAB CC(=O)N[C@H]1CCO[C@@H](c2cccc(NC(=O)c3nccc4ccccc34)c2)C1 19712248 ITGQWOBVODXJJB-PZJWPPBQSA-N 389.455 3.843 0 40 GHAB Cc1cc(C)cc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 20236796 NTNYXSBTERMMQN-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccccc2)CC(O)=N3)cc1OC 20739652 FGMOIICLUISMSB-MRXNPFEDSA-N 392.415 3.739 0 40 GHAB COc1ccc(-c2n[nH]cc2CN2CCC(=O)N(CC3CCCCC3)CC2)cc1 20858391 QBJNVIMRANMICQ-UHFFFAOYSA-N 396.535 3.700 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](NCCC(=O)N2CCCC2)c2ccccc2)c1 21793578 YRORMOKWBOMJQA-QFIPXVFZSA-N 379.504 3.585 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3ccc(OC[C@H]4CCCO4)cc3)CC2)c1 21841015 CUKMWXRDQNTMHP-JOCHJYFZSA-N 380.488 3.515 0 40 GHAB CCc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 22361789 JWHPPDDMMPRHIG-KRWDZBQOSA-N 388.533 3.509 0 40 GHAB CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1cnn(-c2ccc(F)cc2)c1 22913690 VUBVPOOFDQJBAA-QHCPKHFHSA-N 393.510 3.893 0 40 GHAB Cc1cc(C(=O)N(CCn2cccn2)c2nc3c(Cl)cccc3s2)on1 23144769 ZQWZXARWPVPYAD-UHFFFAOYSA-N 387.852 3.790 0 40 GHAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1Cc2cc(Cl)ccc2O1 25107666 LSGJEBGEQKQGRU-LJQANCHMSA-N 385.847 3.623 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1ccc3c(c1)CCCC(=O)N3)O[C@H](C)C2 30726561 LJAQWCWQBJOJMZ-CYBMUJFWSA-N 380.444 3.936 0 40 GHAB Cc1cccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 31999023 PEFAFUFRAGEFEP-LJQANCHMSA-N 392.421 3.817 0 40 GHAB COC(=O)CCCN(C)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 32278345 UUGCKCOTWFDZFQ-UHFFFAOYSA-N 383.473 3.626 0 40 GHAB CS(=O)(=O)Cc1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)cc1 32362198 MDZSYCSVKYAQDB-UHFFFAOYSA-N 395.480 3.954 0 40 GHAB CCOc1ccc(C(=O)Cn2c(=O)c(C(F)(F)F)nc3ccccc32)cc1 32801704 WEVANLHFWMVBAG-UHFFFAOYSA-N 376.334 3.697 0 40 GHAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)N[C@H]1CCc2ccccc21 32843829 IEOYNKDYMRTCQY-NRFANRHFSA-N 377.488 3.799 0 40 GHAB CN(CCOc1cccc(Cl)c1)C(=O)NCc1cnn(-c2ccccc2)c1 32891583 MSTJSJMAQLVOKK-UHFFFAOYSA-N 384.867 3.746 0 40 GHAB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1 35405463 XMYRDSJSRUTTGR-GZTJUZNOSA-N 399.424 3.868 0 40 GHAB CC(C)Cc1nnc(NC(=O)CCCCCn2cnc3ccccc3c2=O)s1 36358665 IDVAIOLJTXNOKP-UHFFFAOYSA-N 399.520 3.646 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NCC1(c2cccs2)CCOCC1 38593366 BCHCWWQNKXGVLL-UHFFFAOYSA-N 385.938 3.737 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)NCCCOc3ccccc3F)o2)cc1 40009601 CLMVOHLTIHFWCH-UHFFFAOYSA-N 383.423 3.702 0 40 GHAB Cc1ccsc1C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 40121996 NEOUDSLUDGNETA-UHFFFAOYSA-N 382.407 3.674 0 40 GHAB COc1cccc(C(=O)Nc2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1 41108758 ITKVQOQIXSVZQJ-UHFFFAOYSA-N 385.836 3.767 0 40 GHAB COc1cc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)ccc1OC(C)C 43975205 IAAKOKAPQLAJRW-QGZVFWFLSA-N 398.507 3.778 0 40 GHAB O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1ccc2c(c1)CCO2 45343715 NQFKKVNJUICHOJ-UHFFFAOYSA-N 380.512 3.868 0 40 GHAB CCc1cc(=O)n(CC(=O)NCc2ccccc2Cl)c(-c2ccc(F)cc2)n1 57508486 JSIFIPVFEFJFIG-UHFFFAOYSA-N 399.853 3.582 0 40 GHAB Cn1cccc1[C@H]1CCCN1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 57650179 LOLLWZMBXSXFPO-GOSISDBHSA-N 383.492 3.621 0 40 GHAB Cc1noc([C@H](C)NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)n1 58138902 JSFLZWGYXVIBGH-JTQLQIEISA-N 381.392 3.590 0 40 GHAB CC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)C1 58147564 SMSFENYYNZUSNS-KRWDZBQOSA-N 390.503 3.727 0 40 GHAB O=C(Nc1cccnc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 59437065 COGFVXNBNGIQLW-UHFFFAOYSA-N 386.499 3.652 0 40 GHAB O=C(NCC1(c2ccccc2)CCCCCC1)c1n[nH]c(=O)c2ccccc12 66684903 LLSHDIXITCNOGT-UHFFFAOYSA-N 375.472 3.945 0 40 GHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cn1c(=O)n(C)c2ccccc21 71844278 YYSUTWVFXGLKSA-RTBURBONSA-N 377.488 3.525 0 40 GHAB COc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Br)cc2)cc1Cl 72227902 SGOJKGBGNYBXQP-LSDHHAIUSA-N 381.657 3.526 0 40 GHAB CCc1c(C)nc2cc(C3CCOCC3)nn2c1NCCCN1CCCCC1 72337441 JRCWCTRUZASWPY-UHFFFAOYSA-N 385.556 3.782 0 40 GHAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2ccnc(Nc3ccccn3)n2)C1 72377516 FORGVMLAJFIWNW-INIZCTEOSA-N 377.423 3.774 0 40 GHAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccc4ncccc4c3)C[C@@H]12 72395848 XYOYWWQCIWCYOO-RDGATRHJSA-N 399.494 3.784 0 40 GHAB CCO[C@@H]1C[C@H](NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)C12CCCC2 78935330 PSVPGVKTZKPAJD-ZWKOTPCHSA-N 391.943 3.805 0 40 GHAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 95482353 GUILGUHALSYLLP-GOSISDBHSA-N 395.459 3.870 0 40 GHAB CCn1ccnc1/C=C/C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 95979934 BAYNCAAUSRCOIE-MDZDMXLPSA-N 395.850 3.856 0 40 GHAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)N(C)C)c2ccccc2O3)o1 96053154 ZAMBCTNNYUNRQH-GOSISDBHSA-N 382.504 3.967 0 40 GHAB Cc1cccc(OC2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)n1 96119485 LWKYMGINZWFEFN-UHFFFAOYSA-N 376.460 3.568 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3C(c4ccccc4)=NN(c4ccccc4)[C@H]3C2=O)cc1 100739668 AZEUNCWIFNZFJC-IFMALSPDSA-N 381.435 3.778 0 40 GHAB C[C@@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)(C)C)c1ccccc1 217433986 UHPVJTRSUHFGDB-CYBMUJFWSA-N 376.478 3.635 0 40 GHAB COC(=O)c1c(NC(=O)c2ccc(N3CCCC3=O)cc2)sc2c1CCCC2 219199621 SQQDEDHTBIVROJ-UHFFFAOYSA-N 398.484 3.793 0 40 GHAB CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224660345 HHCQDDNXWTWWCZ-UHFFFAOYSA-N 399.896 3.889 0 40 GHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)c(OC)c1 224823042 JADNPEWUPGNKNP-WOJBJXKFSA-N 394.500 3.614 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1cc(C)cc(C)c1 225060802 BUFZMKANDOOMON-HXUWFJFHSA-N 396.531 3.668 0 40 GHAB CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccs1 225128030 VKQFZFJNNJBVGK-UHFFFAOYSA-N 394.301 3.813 0 40 GHAB O=C(COc1ccc2c(c1)CCCC2)NCCCN1CCc2ccccc2C1 225663412 AQYHKAWUBPLZPE-UHFFFAOYSA-N 378.516 3.509 0 40 GHAB O=C(NCCSC1CCOCC1)c1cc(Br)ccc1Cl 238829066 FLVKMWWEHRFVRS-UHFFFAOYSA-N 378.719 3.745 0 40 GHAB Cc1ncsc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)ccn1 257247433 IYZWXXDIEINPQA-JWVYWZTKSA-N 382.533 3.601 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@]2(C)c2ncc(Cc3cccc(F)c3)o2)cn1 257256377 KLESORDSPDAKMM-OAQYLSRUSA-N 380.423 3.654 0 40 GHAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)C3CCOCC3)CC2)n1 257268243 MKUXSBQLSXERLH-UHFFFAOYSA-N 383.492 3.740 0 40 GHAB O=C(CSc1nc(O)c2ccccc2n1)Nc1nnc(-c2ccccc2)s1 408533802 QUECFGNCBQQKJX-UHFFFAOYSA-N 395.469 3.585 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1Cl 409181014 XZOUDJSMFUVEOW-VIZOYTHASA-N 387.848 3.718 0 40 GHAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)N[C@@H]5CCc6ccc(-c7ccccc7)cc65)[C@@H]4[C@@H]3[C@@H]12 505979702 UMCVVGJSQXEEIZ-UKOZMJJQSA-N 381.475 3.784 0 40 GHAB Cc1ccccc1-c1nc(=NC2CCN([C@@H](C)c3ccncc3)CC2)s[nH]1 527934006 JYJAKLHRNCGNGO-INIZCTEOSA-N 379.533 3.968 0 40 GHAB C[C@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C[C@@H](C2CC2)O1 547764900 RXSCWJAXSKHHPS-JXFKEZNVSA-N 388.471 3.574 0 40 GHAB COc1ccc(CN2CCC(NC(=O)[C@H](CC(C)C)n3cccc3)CC2)cc1 575444454 BTEJUYUXLUZPRF-QFIPXVFZSA-N 383.536 3.865 0 40 GHAB Cn1cc(-c2ncccc2CNC(=O)Nc2ccc(C(F)(F)F)cc2)cn1 575619686 XLQRRMRWJMSUKV-UHFFFAOYSA-N 375.354 3.823 0 40 GHAB COc1cc2c(cc1OC)[C@H](NC(=O)c1c[nH]nc1-c1ccccc1OC)CC2 583652548 GJSHPVYZYHIKHJ-QGZVFWFLSA-N 393.443 3.520 0 40 GHAB O=C(COc1ccccc1F)NC[C@H](O)c1ccc(-c2cccs2)s1 585147879 FMNYUVVODCTNLS-ZDUSSCGKSA-N 377.462 3.844 0 40 GHAB CC(C)(C)[C@H]1CC[C@H](N2CC[C@H](O)[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 585287663 QJWPCLQEOXXRKI-RDAXPCIFSA-N 397.506 3.746 0 40 GHAB O=S(=O)(Cc1nc(C2(c3ccncc3)CCC2)no1)c1ccc(Cl)cc1 656031280 FKGOXECCSBVRLV-UHFFFAOYSA-N 389.864 3.562 0 40 GHAB CCOc1ccc2c(c1)[C@H](NC(=O)c1cccc(Oc3cnccn3)c1)CCO2 681263672 NXSVSVOCKAKNOM-LJQANCHMSA-N 391.427 3.921 0 40 GHAB CCN1CCN(c2ncc3c(n2)C[C@@H](c2ccc(C(C)C)cc2)CC3=O)CC1 2439621 MFFSGUHHOMHNMJ-LJQANCHMSA-N 378.520 3.655 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(F)cc3)C3CC3)cc2c1 1364859 XFYJRFXXGQBJHL-UHFFFAOYSA-N 380.419 3.871 0 40 GHAB Cc1cc(OCC(=O)N2N=C(C(F)(F)F)C[C@]2(O)C(C)(C)C)ccc1Cl 4163612 GTSGDRKGSNDDHY-INIZCTEOSA-N 392.805 3.913 0 40 GHAB COc1ccccc1NC(=S)N1CCC(NC(=O)c2cccc(C)c2)CC1 4857601 HRJLFYLDFQFZLZ-UHFFFAOYSA-N 383.517 3.595 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cs2)cc1 6680650 WXZUGOMENVNYNC-UHFFFAOYSA-N 378.519 3.729 0 40 GHAB O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 7638838 AZPWXWLAZTZTDW-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCSCc1ccccc1 7685938 FXZGJRASCZNDDA-UHFFFAOYSA-N 389.473 3.752 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7718156 MOCZADYFZREQHH-AWEZNQCLSA-N 386.835 3.560 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)cc2C)c1 7750187 KEGZVNHANWIEAE-UHFFFAOYSA-N 382.432 3.556 0 40 GHAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2C)cc1 107825599 QFIFJMNELWHXQY-UHFFFAOYSA-N 380.897 3.518 0 40 GHAB COc1ccc(CCN2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1OC 20610280 SNBMYBKNAFGXHL-UHFFFAOYSA-N 395.455 3.822 0 40 GHAB biogenic C[C@H]1Oc2ccccc2N(CCC(=O)N2CCC(c3ccccc3)CC2)C1=O 32366907 YZIATVOVTXIIIP-QGZVFWFLSA-N 378.472 3.597 0 40 GHAB O=C(NCc1ccnc(OCc2ccccc2)c1)Nc1ccc2c(c1)OCO2 45947503 NHJATYCCHLEHDV-UHFFFAOYSA-N 377.400 3.711 0 40 GHAB CC(C)(C)c1ccc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1 10338739 MBFWFKBUXRUSEE-UHFFFAOYSA-N 394.581 3.979 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810012 ZODMFUMQMFWTRR-UHFFFAOYSA-N 384.860 3.808 0 40 GHAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cc(F)ccc1Br 10904003 MBJKOEWAQNPQQT-UHFFFAOYSA-N 391.240 3.867 0 40 GHAB Cc1nccn1Cc1cccc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 32809649 HXUSEKBRRUIRAM-UHFFFAOYSA-N 388.471 3.518 0 40 GHAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(N3CCCCC3)nc2)no1 32883902 NJPIXKMRFSPNMX-UHFFFAOYSA-N 393.447 3.595 0 40 GHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)C1 102456146 KGAQFNQXCUWQCW-DLBZAZTESA-N 386.517 3.598 0 40 GHAB Cc1nn(C)cc1-c1nnc(-c2cc(Br)ccc2OC(F)F)o1 2791680 SGSSTSJAAMAMDK-UHFFFAOYSA-N 385.168 3.809 0 40 GHAB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)OCc1ccccn1 12257157 GBRXUEUIFLPYGJ-CQSZACIVSA-N 382.363 3.647 0 40 GHAB O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)N1CCCCCC1 27937511 QTCMTTVZWADPJT-UHFFFAOYSA-N 394.235 3.944 0 40 GHAB CC(=O)N1CCc2cc(C(=O)N[C@H](CC(C)C)c3nc4ccccc4[nH]3)ccc21 53305879 WFRWAFLXFJWGSB-HXUWFJFHSA-N 390.487 3.989 0 40 GHAB Cc1cccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C 790764 JVAUIXUBCUXUBH-GFCCVEGCSA-N 381.501 3.838 0 40 GHAB CC[C@@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 22618789 CNBZSQIIBJRBTJ-CQSZACIVSA-N 394.475 3.979 0 40 GHAB Cc1ccccc1N(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1 824468 YSFLYUQBQQNMNE-UHFFFAOYSA-N 386.517 3.639 0 40 GHAB O=C(Cc1ccc(F)cc1)OCc1nc(-c2ccc(Br)cc2)no1 51315160 HMQXGRURPCWIMN-UHFFFAOYSA-N 391.196 3.924 0 40 GHAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc(N2CCCC2=O)c1 12517391 GQLOSOMDWWAUGX-UHFFFAOYSA-N 399.878 3.556 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)c2cc3cc(OC)cc(OC)c3[nH]2)cc1 24716368 UKFORDYEFCCYDN-UHFFFAOYSA-N 395.503 3.957 0 40 GHAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC1CCC(O)CC1 55412431 LKCWFFVXARZIPT-UHFFFAOYSA-N 384.423 3.791 0 40 GHAB O=C(c1ccc(NC2CC2)nc1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 107525651 HISYKSQYVAGOGF-IFMALSPDSA-N 390.531 3.783 0 40 GHAB CNC(=O)CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 12622991 RBKVRSJNDSUKEM-UHFFFAOYSA-N 375.457 3.578 0 40 GHAB COc1ccc(Br)cc1CN(C)CC(=O)N[C@H](C)c1ccccc1 3363804 GOOXQPCEWUGREW-CQSZACIVSA-N 391.309 3.767 0 40 GHAB COc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)cc1 2068360 WOVLXUQARGJSDV-UHFFFAOYSA-N 389.835 3.802 0 40 GHAB C[C@@H]1CCc2c(sc3nc(COC(=O)c4c(F)cccc4F)[nH]c(=O)c23)C1 3302582 ARGSTVLZIYIHAL-SECBINFHSA-N 390.411 3.745 0 40 GHAB Cc1ccc(-c2nnc(SCc3noc(-c4ccccc4O)n3)n2C)cc1 58197119 FFSUUTLOMKTKSV-UHFFFAOYSA-N 379.445 3.838 0 40 GHAB O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(N2CCCC2=O)cc1 3395137 QZNJVXULKDNQQJ-UHFFFAOYSA-N 389.407 3.628 0 40 GHAB Cc1c(CC(=O)N[C@@H](C)C(=O)O)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 2120756 MSAREGPJKYRNTH-LBPRGKRZSA-N 399.443 3.585 0 40 GHAB biogenic Cc1sc2nc(-c3ccccc3)nc(N3CCCN(C(N)=O)CC3)c2c1C 58281904 BAPBPVDEMZGMOW-UHFFFAOYSA-N 381.505 3.566 0 40 GHAB CN(Cc1ccccc1)CC1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 58297831 OYADPGZGTKXMOQ-DEOSSOPVSA-N 391.559 3.850 0 40 GHAB CCOC(=O)c1c(N)n(CCc2ccccc2F)c2nc3ccccc3nc12 2265958 YTWBEDOSWFKBPR-UHFFFAOYSA-N 378.407 3.725 0 40 GHAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3cccs3)N3CCOCC3)oc2c1 28287821 KCEBDUNXIZUEPC-QGZVFWFLSA-N 384.501 3.914 0 40 GHAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1C 12764602 WPMFUUUHSHVSBR-UHFFFAOYSA-N 388.367 3.653 0 40 GHAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc1 12762467 LUTHVLJHICEJRG-CQSZACIVSA-N 397.504 3.989 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cn1)c1ccc(Oc2ccccc2)cc1 48288640 NWTIIDHHMCOTCL-UHFFFAOYSA-N 375.428 3.963 0 40 GHAB O=C(CCCc1nnc(-c2ccccc2)o1)N1CCO[C@H](c2ccccc2)C1 48286124 OEYJKRIXVWWKCA-IBGZPJMESA-N 377.444 3.659 0 40 GHAB COC1CCN(Cc2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2)CC1 48310307 NBNSBDDOMPICAB-OAQYLSRUSA-N 380.488 3.551 0 40 GHAB COC(=O)c1ccc(CN(C)C(=O)CCc2ncc(-c3ccccc3F)o2)cc1 12867826 JVKGRQWPEPAABS-UHFFFAOYSA-N 396.418 3.859 0 40 GHAB CN(Cc1ccc(Br)s1)C(=O)c1ccc2c(c1)CCC(=O)N2 12891264 COLHZFLOCLHZMT-UHFFFAOYSA-N 379.279 3.668 0 40 GHAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccccc2Br)C1=O 12862550 PIRCOURLIJXVLR-GFCCVEGCSA-N 389.249 3.592 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3438799 JJTAAUIDUDLJOO-UHFFFAOYSA-N 390.848 3.664 0 40 GHAB O=C(Nc1ccc(F)cc1Br)N1CCN(c2ccccc2)CC1 48452016 OBAAVVFACSUOQE-UHFFFAOYSA-N 378.245 3.942 0 40 GHAB COC(=O)c1sccc1NC(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C 12925595 ACCFKSXZTPSMTA-UHFFFAOYSA-N 389.477 3.562 0 40 GHAB CCC(=O)N1CCC[C@@](Cc2cccc(-c3cccc(C)c3)c2)(C(=O)NC)C1 72391496 GDBXPHONIDKHOC-DEOSSOPVSA-N 378.516 3.969 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)no1 3505169 PVBOHGSNXJRHRJ-UHFFFAOYSA-N 379.416 3.596 0 40 GHAB CCc1ccc(Nc2nnc(SCc3ccco3)n(-n3cccc3)c2=O)cc1 28536195 FLLWXTSRCMIFPT-UHFFFAOYSA-N 393.472 3.943 0 40 GHAB C[C@H]1C[C@H](Sc2nnc(COc3ccccc3F)n2-c2ccccc2)C(=O)O1 8194461 ASNHJVVZYMJKFC-GUYCJALGSA-N 399.447 3.782 0 40 GHAB CCCc1c(C)c2ccc(OC(=O)CCNC(=O)OC(C)(C)C)cc2oc1=O 4024491 UQSKGVZIVHAJCY-UHFFFAOYSA-N 389.448 3.874 0 40 GHAB biogenic CC(=O)C(C(C)=O)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@@]31N=2 4024147 KUTPZUGYRAXAFK-CYFREDJKSA-N 376.500 3.573 0 40 GHAB biogenic CCOc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(CC)cc2)cc1 5034081 GLECMUZRZYFEIU-CQSZACIVSA-N 397.504 3.743 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1nc(CN2CCCCC2)cs1 39995509 DRPLSYIKISITGM-UHFFFAOYSA-N 389.569 3.780 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Sc2nnc(C3CCCCC3)o2)cc1 6374165 XEIRVTJEYBIKCZ-CYBMUJFWSA-N 375.494 3.923 0 40 GHAB CCS(=O)(=O)Nc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 20062757 VRBFXOJUPAQHTE-UHFFFAOYSA-N 394.496 3.968 0 40 GHAB COCc1cc(C)nc2sc(C(=O)Nc3cc(Cl)ccc3O)c(N)c12 4413906 OSZOHUKXYUZIDN-UHFFFAOYSA-N 377.853 3.945 0 40 GHAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)NCCc1cccs1 5359864 WAGOKZCKEOEDFE-UHFFFAOYSA-N 390.559 3.854 0 40 GHAB O=C(Nc1cccc(F)c1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5438730 YLOYKYYZBLWZHQ-UHFFFAOYSA-N 382.844 3.661 0 40 GHAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCC(CCc3ccccc3)CC1)C2=O 14201601 SNKMDNGSRAIBSX-FDDCHVKYSA-N 383.536 3.789 0 40 GHAB Cc1c(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)oc2c(Cl)cccc12 6589384 ZUQAKCVKOPGJCS-UHFFFAOYSA-N 389.839 3.540 0 40 GHAB COC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 4672554 KSELWZQQVOBUKP-HXUWFJFHSA-N 396.487 3.835 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)O 14632475 INOVDGQOSGBMLA-GWCFXTLKSA-N 376.236 3.835 0 40 GHAB CSc1cccc(NC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)c1 6767906 BPURNKZDAFTYPA-UHFFFAOYSA-N 379.485 3.888 0 40 GHAB CCc1cccc(CC)c1NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 8772617 IXUYOBVWZCCEGN-UHFFFAOYSA-N 390.867 3.590 0 40 GHAB Cc1cccc2c(=O)[nH]c(CSc3nncn3-c3cccc(Cl)c3)nc12 7020131 GYMOXJQHTQTHTA-UHFFFAOYSA-N 383.864 3.758 0 40 GHAB COCCCNC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 7205099 JQILJZBHMKAUBD-UHFFFAOYSA-N 388.537 3.560 0 40 GHAB COc1ccc(-n2c(SCc3cc(C)on3)nnc2-c2ccncc2)cc1 7372016 YXQITZSXGZVHQA-UHFFFAOYSA-N 379.445 3.927 0 40 GHAB C[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)c1cccc(Cl)c1 18339041 MTFKXNZSCQENCX-CQSZACIVSA-N 385.847 3.891 0 40 GHAB COc1cc(CC(=O)OCc2cccc(Br)c2)cc(OC)c1OC 22836204 OVPMQUIBSGYIEC-UHFFFAOYSA-N 395.249 3.761 0 40 GHAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)NCc1ccncc1 8990328 ZSAAQIBGOWJCHR-UHFFFAOYSA-N 386.407 3.550 0 40 GHAB biogenic COc1ccc(CCC(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1OC 19819490 BIKLDNGXMOVVJC-UHFFFAOYSA-N 394.471 3.574 0 40 GHAB Cc1nc2cc(NC(=O)c3c[nH]nc3-c3ccc4c(c3)OCCO4)ccc2o1 9679294 WIYHWJPWZDDGPT-UHFFFAOYSA-N 376.372 3.550 0 40 GHAB COc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1Br 72414250 KPRKVRJQAIIMSB-UHFFFAOYSA-N 393.262 3.807 0 40 GHAB C[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 84656490 XWUVBDRTZDVLKS-PBHICJAKSA-N 398.450 3.819 0 40 GHAB Cc1nnc(-c2cccc(NC(=O)COc3cccc(C(F)(F)F)c3)c2)n1C 95430962 BGQZBCGWCRANCA-UHFFFAOYSA-N 390.365 3.827 0 40 GHAB O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)Nc1ccncc1 27937478 ZDPURJRLEDJZIJ-UHFFFAOYSA-N 389.175 3.576 0 40 GHAB FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCOCC3)n2)cc1 67898711 ASIXWENWCDGYSG-KRWDZBQOSA-N 397.397 3.528 0 40 GHAB biogenic,in-vitro NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 9906025 PAMZSDWURYAIMB-HZPDHXFCSA-N 383.879 3.781 0 40 GHAB Cc1ccccc1OCC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O 408628431 SYFWVCVBPNIDAT-UHFFFAOYSA-N 385.272 3.899 0 40 GHAB Cc1ccc(-c2ccc3c([C@H]4CN(Cc5ccco5)CCN4C)nnn3c2)cc1 306143095 XTGUCTXKCOHVFA-JOCHJYFZSA-N 387.487 3.786 0 40 GHAB COc1ccccc1OCCNC(=O)c1ccccc1OCc1c(C)noc1C 32999718 QODJMBZLNNBSFN-UHFFFAOYSA-N 396.443 3.688 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3(c4cc(C)cc(C)c4)CC3)C2)nc1 515679695 PBFZPPYRENTLAM-LJQANCHMSA-N 391.515 3.916 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 35312900 IKMKBKYTCSUZOI-GOSISDBHSA-N 381.476 3.564 0 40 GHAB COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3F)n2)cn1 35425177 QUTNYSKSSCBBSP-SFHVURJKSA-N 397.454 3.666 0 40 GHAB biogenic,in-vitro C[C@H]1CCCN(Cc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2)C1 219239784 LLCOUXMZNXWMAF-KRWDZBQOSA-N 390.487 3.899 0 40 GHAB Nc1cccc(Cl)c1N1CCN(C(=O)c2ccc(Br)cc2)CC1 72230200 PHDZTGGXIRECGJ-UHFFFAOYSA-N 394.700 3.647 0 40 GHAB Cc1cc(C[C@@H]2COC[C@H]2N(CCc2ccccc2)Cc2ccncc2)on1 72395061 PYBIBQOARZFCDC-FYYLOGMGSA-N 377.488 3.680 0 40 GHAB CC(C)c1ccc(CCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 40141466 YDYHWKWLKGMPCF-UHFFFAOYSA-N 380.532 3.891 0 40 GHAB CN(Cc1ccccc1)C(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 222526182 XDIAWSNSVITKNF-UHFFFAOYSA-N 394.496 3.784 0 40 GHAB Cc1ccccc1O[C@H](Cc1ccc(I)cc1)C(=O)O 225067431 POSQLXCVAHFHRQ-OAHLLOKOSA-N 382.197 3.674 0 40 GHAB CO[C@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(Cl)s1 225706063 MXJRFGBFBVBDGU-OAHLLOKOSA-N 385.938 3.946 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1 223614117 DJGBVXBDARTIRI-UHFFFAOYSA-N 394.452 3.991 0 40 GHAB Cc1cccc(CS(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)c1 223626154 JMDHCCHBUJFXNO-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB CCOc1cc([C@@H](N)c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)ccc1OC 95534433 FGTDJPKBURIWQY-MRXNPFEDSA-N 392.381 3.946 0 40 GHAB Cc1cc(C(C)(C)C)oc1C(=O)N1[C@H]2CC[C@H]1[C@@]1(C2)NC(=O)c2ccccc2N1 248204998 ZIBZBVJSCGFPGN-XBCBRRGRSA-N 393.487 3.814 0 40 GHAB O=C(c1cc(F)cc(F)c1)N1CCC2(CC1)OCC[C@@H]2CCOCC1CC1 247940563 PIMULNRPWUPUGL-KRWDZBQOSA-N 379.447 3.793 0 40 GHAB CCCC[C@H]1Oc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2NC1=O 252478043 AARXJQWJBSVKIW-QGZVFWFLSA-N 378.425 3.516 0 40 GHAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)CN3CCCCC3)o2)c1 257213324 CHBHRNKQDXOFQF-NRFANRHFSA-N 397.519 3.814 0 40 GHAB O=C(Nc1cccc(Br)c1)c1ccnc(OCC2CCOCC2)c1 253471245 BPOCDOTUMXXQIP-UHFFFAOYSA-N 391.265 3.902 0 40 GHAB O=C(NCc1ccncc1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257252250 JUDAAHZFTMOHSK-UHFFFAOYSA-N 387.483 3.799 0 40 GHAB Cc1cc(C(=O)NS(=O)(=O)c2cccc(Cl)c2C)ccc1-n1cccc1 257231338 GGGHCBIRNSDOFS-UHFFFAOYSA-N 388.876 3.866 0 40 GHAB CC(=O)Nc1nc2nc(C3CCN(Cc4scnc4C)CC3)ccc2s1 257250040 JKSUZZVUXCISIY-UHFFFAOYSA-N 387.534 3.794 0 40 GHAB C/C(=C\C(=O)N(CCC(=O)O)C1CCOCC1)c1ccc(C(F)(F)F)cc1 584908398 IFOJBBUBFXKOQF-OUKQBFOZSA-N 385.382 3.591 0 40 GHAB Cc1ncc(CN2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)o1 628140478 MHYKNRFAIGNNJQ-UHFFFAOYSA-N 391.471 3.520 0 40 GHAB Cc1nc(-c2cccc(NC(=O)N[C@H](C[C@@H]3CCCO3)C(F)(F)F)c2)no1 653953965 XTPOAKVCGHPSFA-UONOGXRCSA-N 384.358 3.667 0 40 GHAB CC(C)(C)c1nc(CS(=O)(=O)Cc2ncsc2Br)cs1 663295081 DXWQBIJNYRIXPR-UHFFFAOYSA-N 395.369 3.775 0 40 GHAB CC(C)NC(=O)c1ccc(NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)cc1 665791814 SPROPDAYDFLOCC-HXUWFJFHSA-N 380.492 3.567 0 40 GHAB Cn1ccnc1SCC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 90608219 TZUOPXYHOOTZNX-UHFFFAOYSA-N 399.438 3.963 0 40 GHAB COC(=O)[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)Cc2ccccc21 599666719 AIOWROREZBJEMC-QGZVFWFLSA-N 383.835 3.662 0 40 GHAB Cc1ccc(CNC(=O)N2CCC(c3ccon3)CC2)c(OC[C@H]2CCCO2)c1 660891964 ZUUORNGLENZRRA-LJQANCHMSA-N 399.491 3.630 0 40 GHAB O=C(CCCc1nc2ccccc2[nH]1)NCc1ccc(N2CCCCC2)nc1 53509833 YKANCNKXVCSQLT-UHFFFAOYSA-N 377.492 3.587 0 40 GHAB Cn1nccc1CCC(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615125707 GLIBVPYSMWQGGN-QFIPXVFZSA-N 384.499 3.542 0 40 GHAB O=C(NCc1nc(-c2ccccc2Cl)no1)[C@@H]1Cc2cc(Cl)ccc2O1 12201312 UYRJDKCZSJPSQI-HNNXBMFYSA-N 390.226 3.663 0 40 GHAB C[C@@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)c1ccc(F)c(F)c1 12796157 DMEAUWGMSHSDKW-QLJPJBMISA-N 391.395 3.582 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)c1 12816741 RWENWEFSVLVEPE-UHFFFAOYSA-N 390.487 3.783 0 40 GHAB O=C(Cc1ccccc1F)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 19348145 SRXGLGQELBFNDL-SFHVURJKSA-N 397.475 3.934 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O)N1CCCC1 205856558 OUUAHDMDPGEQIL-XYOKQWHBSA-N 385.272 3.652 0 40 GHAB COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4cccc(F)c4)C[C@H]23)c1 19019431 CUVHFFSWGRHERW-DNVJHFABSA-N 382.479 3.671 0 40 GHAB Cc1ccc(C(=O)N2CC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)cn1 19214796 YCUQSJOYDDVSMJ-IVMMDQJWSA-N 393.413 3.524 0 40 GHAB COc1cccc(C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)c1 19586666 UUMFYKUYUISJDK-UHFFFAOYSA-N 380.488 3.631 0 40 GHAB CNC1CCC2(CC1)CN(Cc1c(OC)cccc1OC)Cc1ccccc1O2 19592010 OWICZIVLLTVMFB-UHFFFAOYSA-N 396.531 3.999 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CSc3nnc(C4CC4)n3C3CC3)n2)cc1 5324900 MLSUDYWBZBGLDI-UHFFFAOYSA-N 394.508 3.602 0 40 GHAB FC(F)(F)c1ccc(N2C[C@@H]3CCN(c4cnc5ccccc5n4)[C@H]3C2)nc1 1889205677 HTARWQONNPXTKO-GUYCJALGSA-N 385.393 3.759 0 40 GHAB Cc1ccc(-n2nc(C)c(NC(=O)CN3CCc4sccc4C3)c2C)cc1 21419752 RZQVQILFAJMKMC-UHFFFAOYSA-N 380.517 3.856 0 40 GHAB CCOC(=O)C(C)(C)Sc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2 2719791 MGXKCWRDQXRXLL-UHFFFAOYSA-N 390.530 3.623 0 40 GHAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1cc2ccccc2oc1=O 4087535 MZTKQJPZBGKBAT-UHFFFAOYSA-N 389.436 3.978 0 40 GHAB COc1ccc(OC)c(NC(=S)N2CCn3cccc3[C@H]2c2ccncc2)c1 4059469 SFHXARPUFSIUPN-HXUWFJFHSA-N 394.500 3.702 0 40 GHAB COc1ccc(CC(=O)N2CCN=C2SCc2cccc(F)c2)cc1OC 4119903 ZSDLRBGGUVMRFB-UHFFFAOYSA-N 388.464 3.517 0 40 GHAB Cc1cc2cc(CNC(=O)N[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)ccc2[nH]1 4373238 CUJHTMMDJLUMJY-LJQANCHMSA-N 390.487 3.698 0 40 GHAB Cc1ccc2c(c1)CCCN2C(=O)CCCn1nc(-c2ccco2)ccc1=O 11695856 HTSKENYGATZBKN-UHFFFAOYSA-N 377.444 3.571 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H](O)c1ccc(-c2ccco2)o1 1775966070 RITYMLZTCDEJAS-QGZVFWFLSA-N 395.390 3.543 0 40 GHAB O=C(Cc1cc(O)nc(SCc2ccccc2F)n1)NCc1cccs1 23138350 NWLMKNYIQPHBDD-UHFFFAOYSA-N 389.477 3.534 0 40 GHAB O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccccc1OC(F)(F)F 40039861 SZZFNTSUMOZVKO-UHFFFAOYSA-N 384.379 3.588 0 40 GHAB COc1ccc(-c2ccc(=O)n([C@@H]3CCc4ccccc4N=C3O)n2)cc1OC 40266164 DWUIKGXKQGLXRS-GOSISDBHSA-N 391.427 3.703 0 40 GHAB C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(S(C)(=O)=O)cc1 10969172 HVSVIZBWLVZGNS-NSHDSACASA-N 392.527 3.766 0 40 GHAB COc1ccc(-c2nc(CC(=O)N(C)Cc3ccc4c(c3)OCO4)cs2)cc1 8072916 UQBARJZEWQVPKF-UHFFFAOYSA-N 396.468 3.749 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(O)cc2)n1C 899360 DAJFUNVMFBHLIO-CQSZACIVSA-N 382.489 3.924 0 40 GHAB CCOC(=O)COc1ccc(S(=O)(=O)Nc2c(CC)cccc2CC)cc1 6362078 ADGRIKBDFHJJAC-UHFFFAOYSA-N 391.489 3.554 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccc(OC)c2)cc1 7247532 VOTYSTFGJLDGKT-UHFFFAOYSA-N 390.439 3.886 0 40 GHAB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)C(C)(C)C)C2=O)cc1C 7575817 BLMNNTLIDSCYCT-QHCPKHFHSA-N 378.472 3.714 0 40 GHAB Cc1nnc(S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)O)o1 7603823 SWAZYRZFLSXRKO-OQFOIZHKSA-N 391.630 3.717 0 40 GHAB COc1ccccc1C(=O)N(C)C[C@H]1CC[C@H](c2cc(CN(C)C)n(C)n2)CC1 100687600 WTYZVYHAZOSAIZ-HDICACEKSA-N 398.551 3.536 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@@H](Nc1ccc(-n2cnnn2)cc1)c1ccccc1 8163464 USYWTMDCRSRDOI-FQEVSTJZSA-N 388.406 3.593 0 40 GHAB CCOc1cc2c(cc1CNC(=O)CC13C[C@@H]4C[C@H](CC(O)(C4)C1)C3)O[C@H](C)C2 100688107 FSGSJCVQFMZNHF-FWRBMXHKSA-N 399.531 3.746 0 40 GHAB CCc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 11721766 UQGUAKMGEDVVJP-UHFFFAOYSA-N 393.531 3.911 0 40 GHAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1C 10112296 SDABRALHWZOMTG-UHFFFAOYSA-N 398.278 3.735 0 40 GHAB Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)c1 101724679 CSNFQULZPKOOSB-VXAPCQRLSA-N 398.462 3.805 0 40 GHAB Cc1cc(C)c2cc(C(=O)O[C@@H](C)C(=O)c3ccc4c(c3)NC(=O)CO4)[nH]c2c1 32853986 GBQDDSOUVORVPS-ZDUSSCGKSA-N 392.411 3.544 0 40 GHAB CC[C@H](OC(=O)c1cc(=O)c2cc(C)ccc2o1)C(=O)Nc1ccc(F)cc1 32848754 KKDJVUHVQSIHEB-KRWDZBQOSA-N 383.375 3.815 0 40 GHAB COc1ccccc1O[P@@](C)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 680241 YCWXMFMYEWLQAY-HHHXNRCGSA-N 387.376 3.807 0 40 GHAB CCn1nc(C)c(/C=C/C(=O)Nc2ccccc2I)c1C 679920 XRQVDTLSDOWSMA-MDZDMXLPSA-N 395.244 3.776 0 40 GHAB CCc1oc2ccccc2c1CN1C[C@H]2CCC[C@H](C1)C2(O)c1nccn1C 100150141 WAJVHZRJDLSQMP-IAGOWNOFSA-N 379.504 3.848 0 40 GHAB O=C(CN1CCN(c2ccccc2F)CC1)Nc1cc(Cl)cc(Cl)c1 54225183 JFAPBIQPMXYFIZ-UHFFFAOYSA-N 382.266 3.893 0 40 GHAB CCC[C@@H](C)NC(=O)COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 23267510 ZGODIXHAFJBGDU-FOIQADDNSA-N 395.455 3.602 0 40 GHAB Cc1c(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cnn1-c1ccccc1 23778131 ZLUSYGGWLWKOAA-FQEVSTJZSA-N 389.434 3.573 0 40 GHAB O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc(-c2ccc(Cl)cc2)o1 21235196 KIJPDKFQKPVOAW-UHFFFAOYSA-N 393.834 3.570 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CN[C@@H](C)c2cccc(Cl)c2)c(C)c1 24985043 YTIZNHGSWOYKMZ-INIZCTEOSA-N 387.911 3.671 0 40 GHAB Cc1n[nH]c(C)c1Cc1ccc(-c2nn3c(C(F)(F)Cl)nnc3s2)o1 61719499 JSNIXYFAZURPOJ-UHFFFAOYSA-N 384.799 3.665 0 40 GHAB Cc1cnc(C(=O)N2[C@H]3CC[C@@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)cn1 100112621 KRJLJPUJKHBOMI-DHSIGJKJSA-N 391.393 3.876 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(NC(=O)NCc2ccccc2-n2ccnc2)cc1 56729231 NPGUAMWFBLXNGD-INIZCTEOSA-N 391.475 3.722 0 40 GHAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 113940381 SRRVESQYJCWNIR-LSDHHAIUSA-N 394.924 3.680 0 40 GHAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 113969639 GMRXOXKNBZUUIT-OAQYLSRUSA-N 396.487 3.518 0 40 GHAB O=C1CCCN1C[C@H](NCc1ccc(Br)s1)c1ccccc1 47795003 XTHOJHBDHORMPI-HNNXBMFYSA-N 379.323 3.964 0 40 GHAB CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)/C=C/c1ccc2c(c1)OCO2 58023457 YLTNRXVEOHVQRX-UXBLZVDNSA-N 386.879 3.672 0 40 GHAB CNc1snc(C)c1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 27575812 BTLIBOZWMVUYAE-AWEZNQCLSA-N 378.567 3.758 0 40 GHAB O=C(Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S)NCCc1cccc(F)c1 10101777 QMIPKDBSYQPTMS-UHFFFAOYSA-N 390.871 3.759 0 40 GHAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1c(Cl)cccc1Cl 3230228 INLBNWRWPOKVNM-FNORWQNLSA-N 394.210 3.917 0 40 GHAB C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(S(C)(=O)=O)cc1 10205408 IDHXGEZTMGGJFH-LLVKDONJSA-N 375.475 3.583 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)CC[C@H]2CCCO2)no1 58217853 XKEMPPHKUSIBKU-XJKSGUPXSA-N 375.494 3.748 0 40 GHAB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)cc(C)c2cc1Cl 2233270 VBNHNWZFXWTYIS-CYBMUJFWSA-N 395.839 3.964 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2ccc(C(C)C)cc2)cc1 22275638 XFXNAQKNGVDKOR-UHFFFAOYSA-N 388.533 3.838 0 40 GHAB CCc1ccc([C@H](NC(=O)Cn2nc(C)c3ccccc3c2=O)C(C)C)cc1 12778483 JCIUSPRUUCLRIB-JOCHJYFZSA-N 377.488 3.781 0 40 GHAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)C[C@@H](O)c4ccc(O)cc4)[C@H]3C=C12 12866962 UIYOCYWELGJUCX-YKSLBKPUSA-N 399.531 3.672 0 40 GHAB biogenic COc1ccc(CN(C(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)C2CC2)cc1 12811646 NIGXMTCMOSIOPU-UHFFFAOYSA-N 391.471 3.678 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)c1nc(-c2cccnc2)nc2ccccc12 3408467 JFOVNJQCUHRYOI-QGZVFWFLSA-N 384.439 3.968 0 40 GHAB CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nccs1 3415053 BMRNTVRERVFHMN-HNNXBMFYSA-N 391.562 3.931 0 40 GHAB O=C(CN1CCc2ccccc2C1)Nc1ccccc1C(=O)Nc1ccccc1 3416302 NPIPCUWPXRMWPE-UHFFFAOYSA-N 385.467 3.936 0 40 GHAB Cc1sc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)nc1-c1ccccc1 8342861 BDDUKOLZBKROAB-HNNXBMFYSA-N 381.457 3.699 0 40 GHAB Fc1ccc(OCc2nn3c(Cc4c[nH]c5ccccc45)nnc3s2)cc1 13719563 CWQAYBPRUJIQAW-UHFFFAOYSA-N 379.420 3.976 0 40 GHAB CN(C)S(=O)(=O)c1cccc(CSCCOc2cccc(Cl)c2)c1 9052088 XRKNNLCVMDHDJS-UHFFFAOYSA-N 385.938 3.903 0 40 GHAB O=C(COc1ccc(Cl)cc1)OCC(=O)c1ccccc1Br 6541858 JZWZWAIIONUNCS-UHFFFAOYSA-N 383.625 3.907 0 40 GHAB COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc1OC 5575483 RZKNNMZCKKCCAG-QGZVFWFLSA-N 385.803 3.639 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(Br)s2)c1C 18107523 VMCYLRSSHVWHQM-UHFFFAOYSA-N 385.283 3.514 0 40 GHAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 8722765 ZOQAJCAVBKGJEH-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1CCOc1ccc(Cl)cc1 8734667 QWDMNPRPHPPUDG-OAQYLSRUSA-N 384.863 3.893 0 40 GHAB CCc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)cc1 21148598 GXJRMVKTTBBUKT-QFIPXVFZSA-N 391.471 3.581 0 40 GHAB O=C1CCCN1CCCn1c(SCc2ccccc2)nc2ccccc2c1=O 67258545 DAOISYAKUVVYEZ-UHFFFAOYSA-N 393.512 3.701 0 40 GHAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)Cc1ccc(C(F)(F)F)cc1 7266976 XGPGQZGNKGMDGE-GFCCVEGCSA-N 380.366 3.893 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccs2)N1Cc1cccnc1 8845472 DCMBMBATYFZIKD-HXUWFJFHSA-N 388.452 3.984 0 40 GHAB C[C@H](Sc1nnc([C@H](C)Oc2ccccc2)n1C)C(=O)Nc1nccs1 7871126 IZUJCSJLVHXPEG-RYUDHWBXSA-N 389.506 3.531 0 40 GHAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCO[C@@H](CCc2ccccc2)C1 96014009 XBEBADMFLGRHJH-KRWDZBQOSA-N 387.863 3.585 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(O)c(OC)c1 20823867 PILJYUAFVOKLSJ-LJQANCHMSA-N 398.484 3.674 0 40 GHAB Cc1ccnc(SCc2cc(O)n3nc(C)c(-c4ccc(F)cc4)c3n2)n1 9547330 GFRAUAHAYJTPIK-UHFFFAOYSA-N 381.436 3.940 0 40 GHAB CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2cccc(C(F)(F)F)c2)C1=O 9460928 KGAKJXPDHHUEKT-BUHFOSPRSA-N 383.370 3.660 0 40 GHAB COc1ccccc1OCC(=O)NCCSc1ccc(Br)cc1 9882468 KBJWWDODUPQNGB-UHFFFAOYSA-N 396.306 3.745 0 40 GHAB O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CS(=O)(=O)c2ccccc21 72288205 ILAGWAUPPHLJGA-FQEVSTJZSA-N 377.465 3.541 0 40 GHAB CC(C)(O)CN(Cc1csc(COc2ccc(F)cc2)n1)C1CCOCC1 72308461 HUQMZOBGYUTWIC-UHFFFAOYSA-N 394.512 3.613 0 40 GHAB COc1ccc(Cl)cc1-c1nnc2sc(-c3[nH]nc(C)c3Cl)nn12 72406207 SOBZLCXDNAOPRW-UHFFFAOYSA-N 381.248 3.867 0 40 GHAB COc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1 98211350 CSDDSLSIFUGPHW-UHFFFAOYSA-N 388.427 3.530 0 40 GHAB CCc1ccc(NC(=O)[C@H]2CC(=O)C[C@H]2C(=O)Nc2ccc(CC)cc2)cc1 79067332 FVVMECMXLKQUEK-OYRHEFFESA-N 378.472 3.984 0 40 GHAB Cn1cncc1CCNC(=O)c1ccccc1CSc1nc2ccccc2o1 544364668 FLGRXPBAJTXGKX-UHFFFAOYSA-N 392.484 3.826 0 40 GHAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 408589009 DJQTWEROJZFAEL-UHFFFAOYSA-N 383.420 3.543 0 40 GHAB O=C(NC(=S)NNc1ccccc1)c1cc(Br)ccc1Cl 408629114 ZNFKRDTZKMPYQN-UHFFFAOYSA-N 384.686 3.734 0 40 GHAB CC(C)[C@@H](Oc1ccc(Br)cc1)c1noc(CN2CCCC2=O)n1 508606451 WOHBVJNNAQLGMB-MRXNPFEDSA-N 394.269 3.731 0 40 GHAB CCc1ccc(CNC(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1 408709766 WTEBSZVNLQHCCC-UHFFFAOYSA-N 375.266 3.575 0 40 GHAB Cc1ccc(OCC(=O)N2N=C3[C@H](CCC[C@H]3C)[C@@]2(O)C(F)(F)F)cc1C 409179475 OVDFLCGWCNAISM-HNJNHCNJSA-N 384.398 3.568 0 40 GHAB Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCCN2C(=O)c2ccc(N)nc2)n1 72372649 CAOWEEKJBLPFKG-GOSISDBHSA-N 392.438 3.622 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H](c3cc(Nc4ccccn4)cc(C)n3)C2)cn1 72374927 GEDNWJCFVQABEN-QGZVFWFLSA-N 388.475 3.647 0 40 GHAB CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)no2)cc1 32622161 YFMKNLAXJCCFGP-FQEVSTJZSA-N 397.450 3.912 0 40 GHAB Cc1cccc2sc(NC(=O)CN3CCN(c4ccc(F)cc4)CC3)nc12 37134033 PMAKMNOSXMNRNP-UHFFFAOYSA-N 384.480 3.505 0 40 GHAB Cc1ccc(N2CCC(CNC(=O)Nc3cccc(C(F)(F)F)c3)CC2)nn1 70930159 IETIUYNBJQPYEV-UHFFFAOYSA-N 393.413 3.842 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)c1 223894294 WAFUJPAATIOMSI-UHFFFAOYSA-N 397.452 3.744 0 40 GHAB Cn1ccnc1COc1ccc(NC(=O)c2ccc(Br)o2)cc1 42708519 IIUSWGXPCHNDJV-UHFFFAOYSA-N 376.210 3.607 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc12 222385608 JLOJGXONWYPHKH-GOSISDBHSA-N 390.483 3.690 0 40 GHAB C[C@H]1C[C@@H](C)CN(CCCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 40157094 QIUXCPPRTYSGKE-OKILXGFUSA-N 376.925 3.516 0 40 GHAB CCOC(=O)c1cnn(-c2ccc(NC(=O)NC(C)C)cc2)c1C(F)(F)F 48342873 BSUNSPZYSLLEHP-UHFFFAOYSA-N 384.358 3.598 0 40 GHAB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OC 47080701 FUQALGVFTPQCRK-XFFZJAGNSA-N 388.308 3.687 0 40 GHAB COc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 223718213 URILJYLBHIRSFU-UHFFFAOYSA-N 390.288 3.831 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1 225454571 YZMHSMSIHXUYHS-UXHICEINSA-N 396.531 3.748 0 40 GHAB O=C(NCc1ccccc1F)c1cccc(S(=O)(=O)Nc2ccccc2)c1 224073035 OGDCHRGFSYTQFR-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB Cc1cc(C)cc(CN2CCc3nc(-c4cnn(C)c4)nc(NC4CC4)c3C2)c1 96254203 FIGNJNBKZCCNOM-UHFFFAOYSA-N 388.519 3.627 0 40 GHAB Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H]3CCO[C@H](c4ccncc4)C3)c2)n1 582947026 CXWNNCBPZGFKBC-CTNGQTDRSA-N 391.475 3.926 0 40 GHAB COC(=O)c1sc(NC(=O)c2csc(-c3ccc(F)cc3)n2)nc1C 96950291 RGYOHPSQDAARCH-UHFFFAOYSA-N 377.422 3.753 0 40 GHAB CCc1ccccc1NC(=O)N1CC[C@]2(CC[C@H](C(=O)NCC3CC3)O2)[C@H](C)C1 96261018 GNWLNBUCZNCVOW-AYPBNUJASA-N 399.535 3.567 0 40 GHAB CC(=O)Nc1ccc(CN2C[C@@H]3CCC[C@@](O)(c4cccc(F)c4)[C@H]3C2)cc1 247958505 UKWRYFQDPYCLDJ-OFAXGOBFSA-N 382.479 3.904 0 40 GHAB Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)CCCn3cccn3)CC2)c1 257224507 FCCPSPFCMVZMEY-UHFFFAOYSA-N 393.491 3.736 0 40 GHAB C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ncc(C(=O)O)[nH]1 256053039 PTBYSKNLROJYNL-LBPRGKRZSA-N 377.400 3.708 0 40 GHAB Cc1c(N=c2scc(-c3ccccc3)n2C)c(=O)n(-c2ccccc2)n1C 263592019 UYJAZJKOGIYDNI-UHFFFAOYSA-N 376.485 3.784 0 40 GHAB Cn1ccc(=NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)nc1O 1130354256 KXGNZXFFRBOSEX-UHFFFAOYSA-N 390.830 3.735 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)NCc3cncc(-c4ccco4)c3)c2O1 575618778 OUJLZDRIWPQQQY-UHFFFAOYSA-N 378.428 3.750 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CN2CCCC2=O)c1 55584282 NHSBLLWDQVMMBH-UHFFFAOYSA-N 378.881 3.572 0 40 GHAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)[C@@H](C)Cn2ccnc2C)cc1 12128893 XPONAEOUUQYWOU-UUVCCDQISA-N 381.520 3.925 0 40 GHAB C[C@H](NC(=O)C1(c2ccccc2)CCCCC1)c1nc(-c2ccncc2)n[nH]1 12144630 UENSZKTYRNSWCH-INIZCTEOSA-N 375.476 3.946 0 40 GHAB CC(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1 12868715 SGLSAQMWQLTURO-UHFFFAOYSA-N 399.903 3.921 0 40 GHAB CCOc1ccccc1-n1c(SCC(=O)c2ccc(C)cc2)nc(O)cc1=O 16693554 MCVXQMPTUDBRRE-UHFFFAOYSA-N 396.468 3.620 0 40 GHAB CCN1CCN(c2nc(-c3ccc(C)cc3)c3c(n2)-c2ccccc2C3=O)CC1 17078517 OUDXBJPQORATJF-UHFFFAOYSA-N 384.483 3.805 0 40 GHAB CCCC(=O)N1[C@H]2CC[C@@H]1c1cnc3cc(-c4ccc(OC)cc4)nn3c1C2 19501009 IPZHWAJJGHNWQJ-HNAYVOBHSA-N 376.460 3.793 0 40 GHAB COc1cccc2c1OC[C@@H](C(=O)N1CCC[C@@H](COc3ccccc3F)C1)C2 19568269 JUMIOGVRJPCSLW-AEFFLSMTSA-N 399.462 3.703 0 40 GHAB COc1ccccc1CC(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19569601 SSYIPUZTYSVKPH-LJQANCHMSA-N 376.460 3.777 0 40 GHAB Cc1cc(OC2CCN(C(=O)CCc3ccc(Cl)c(C)c3)CC2)cc(=O)o1 206972601 DQQFTNOCPQQYOS-UHFFFAOYSA-N 389.879 3.913 0 40 GHAB CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@@H]4O)sc3c2)ccn1 167855477 ADZBMFGQQWPHMJ-PBHICJAKSA-N 398.488 3.559 0 40 GHAB COc1ccc2c(c1)OCC(CNCC1(c3cccc(F)c3)CCOCC1)=C2 19715755 FFEHHVUOZGNRGH-UHFFFAOYSA-N 383.463 3.948 0 40 GHAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)NC(=O)Nc1ccccc1F 4406702 UGESZBGMSSTQIG-UHFFFAOYSA-N 378.816 3.796 0 40 GHAB CC(=O)c1ccc(NC(=O)COc2cccc(I)c2)cc1 5452889 KEJAIBSPLWVLMZ-UHFFFAOYSA-N 395.196 3.511 0 40 GHAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC(=O)NC3CCCC3)c2n1 5732560 HMXRPTCZEIQAQF-UHFFFAOYSA-N 396.274 3.997 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 32423669 CCQPFKSHZULOPP-QGZVFWFLSA-N 399.903 3.712 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1Br 21964466 WBOSYTRGHCXMCO-UHFFFAOYSA-N 384.277 3.966 0 40 GHAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)C3CCOCC3)CC2)cc(C)c1Cl 2037912353 JZZUPYMFGPJVAY-OAQYLSRUSA-N 395.927 3.506 0 40 GHAB CCC1=NN(C(=O)c2ccccc2O)[C@](O)(c2ccc(Br)cc2)C1 1023062 OYDFWVAGVOTCMG-GOSISDBHSA-N 389.249 3.612 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CCS(=O)(=O)c3ccccc3)n2)o1 4335410 MZAWXZYFSBBGIW-UHFFFAOYSA-N 376.459 3.514 0 40 GHAB O=C1CC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)Oc2ccccc21 4505668 PKMCBIZCVJKQFB-UHFFFAOYSA-N 391.876 3.529 0 40 GHAB CCCn1ccc2c(OCC(=O)Nc3ccc(OCC)cc3)cccc2c1=O 4584138 DPWQWRUNDIOGMI-UHFFFAOYSA-N 380.444 3.828 0 40 GHAB Cc1ccc(-n2ccnc(SCC(=O)Nc3ccc(Cl)cc3)c2=O)cc1 9320474 CQJOKWIELCNIMC-UHFFFAOYSA-N 385.876 3.925 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccsc1 38597454 NTZQHWHNRYGUKZ-IBGZPJMESA-N 399.491 3.774 0 40 GHAB COc1cc(OC)c(NC(=O)Cc2nnc(-c3sccc3C)o2)cc1Cl 49409419 YXTLESLDWZSEHL-UHFFFAOYSA-N 393.852 3.958 0 40 GHAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1ccccc1F 585148065 FHLHSCBYECGXII-KRWDZBQOSA-N 377.462 3.566 0 40 GHAB Cc1cnc(OC2CCN(Cc3ccc(Br)cc3F)CC2)nc1 653803396 MRRWAQQVKABSCQ-UHFFFAOYSA-N 380.261 3.730 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)cc1C 6846247 VCSNETNSTCRLKD-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1 40057239 IFIUHZPTMAPVSI-UHFFFAOYSA-N 391.427 3.554 0 40 GHAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(CCc2ccc(O)cc2)CC1 40034352 BSSLNOHSGADGLL-UHFFFAOYSA-N 376.456 3.719 0 40 GHAB COc1ccc(-c2noc(-c3ccc(OC[C@]4(C)CCCNC4)nc3)n2)cc1 20203711 MQVBYRDUWVDFNP-OAQYLSRUSA-N 380.448 3.576 0 40 GHAB CC(C)=C[C@@H]1[C@H](C(=O)OCC(=O)N2CCc3[nH]c4ccccc4c3C2)C1(C)C 28415128 FQQCXXXWHZLVOE-DYESRHJHSA-N 380.488 3.834 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CN(C)Cc2ccc(C(F)(F)F)cc2)cc1 8092468 ZUYIREVYQNCLNV-UHFFFAOYSA-N 379.382 3.734 0 40 GHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c(C)n1Cc1ccco1 16695825 IMHMFODCEUFVJW-INIZCTEOSA-N 392.455 3.881 0 40 GHAB CCOC(=O)CCCSc1nc(N)c2c3c(sc2n1)CO[C@](C)(CC)C3 2416395 GQHVQZZBLUOWHB-GOSISDBHSA-N 395.550 3.950 0 40 GHAB Cc1ccc(C(C)C)c(OC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 1703573 SPLGUJDVJBJGLA-UHFFFAOYSA-N 376.478 3.980 0 40 GHAB COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(OC)c(OC)c3)noc1-2 2466052 PELZYFPYXBGSIZ-UHFFFAOYSA-N 380.400 3.718 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cccc4ccccc24)C(=O)N3)cc1 31816965 CAPUYTWUAFPYQJ-IBGZPJMESA-N 397.438 3.929 0 40 GHAB CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1 4898427 FOIDMKYYFITTCF-MRXNPFEDSA-N 381.476 3.531 0 40 GHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(C)n1C(C)C 16695197 OZQZWBYWQGZLAK-HNNXBMFYSA-N 397.475 3.607 0 40 GHAB O=C(Nc1cccc2c1OCCO2)N1CCC([C@H](O)c2ccc(F)cc2)CC1 108506886 NOLHBCADULOYRX-LJQANCHMSA-N 386.423 3.574 0 40 GHAB Cc1sc2nc(S[C@H]3CCOC3=O)n(Cc3ccccc3)c(=O)c2c1C 2661228 IPXMFYVYAJNISN-AWEZNQCLSA-N 386.498 3.531 0 40 GHAB Nn1c(Cc2ccccc2F)nnc1SCCOc1ccc(Cl)cc1 2616914 KTLYAPACBLLDCU-UHFFFAOYSA-N 378.860 3.546 0 40 GHAB COc1ccc(-c2nc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)cs2)cc1 32729763 CPGMGEAFUJTDPF-LJQANCHMSA-N 399.491 3.991 0 40 GHAB O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1cc2ccccc2oc1=O 32741555 DQSOSBXDBJQPET-UHFFFAOYSA-N 386.787 3.965 0 40 GHAB Cc1nnsc1C(=O)Nc1nnc(SC/C=C/c2ccccc2)s1 11913962 LQBLGNMXOGWJML-VMPITWQZSA-N 375.504 3.756 0 40 GHAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)no1 12028756 VSHWANJPPZYYLP-KRWDZBQOSA-N 383.835 3.616 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3cc(Cl)ccc3OC(=O)c3ccco3)C(=O)[C@H]2C1 102553593 POIOLTMDFWDGNY-KGLIPLIRSA-N 385.803 3.998 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2cccc(C)c2C)cc1 113937801 YTHFNLQYTOELNX-UHFFFAOYSA-N 388.533 3.579 0 40 GHAB O=C(Nc1cccnc1N1CCOCC1)NC1(c2ccc(F)cc2)CCCC1 103290319 OJXWRGHCVPPTSE-UHFFFAOYSA-N 384.455 3.648 0 40 GHAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 640197 DLPSCQCZWVNVAH-INIZCTEOSA-N 384.501 3.587 0 40 GHAB Nc1nc(SCC(=O)NCc2ccco2)nc2scc(-c3ccccc3)c12 12325049 SRCYKHRONIYZEP-UHFFFAOYSA-N 396.497 3.942 0 40 GHAB O=C(Cc1csc(-c2ccsc2)n1)N1CCN(Cc2cccs2)CC1 21929781 ZXKWFAGLHBGGCY-UHFFFAOYSA-N 389.571 3.820 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc21 53698194 YGSIBLHLRVIUML-HNNXBMFYSA-N 398.528 3.514 0 40 GHAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1Cl 113969225 VDBAAOPNGNKOHL-MRXNPFEDSA-N 387.911 3.806 0 40 GHAB O=c1[nH]c(CN2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccccc12 23873073 PZKLEXQYSFLLSQ-CQSZACIVSA-N 376.485 3.912 0 40 GHAB COc1ccc([C@H]2[C@@H](C(=O)NC(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 24972985 CCLYNJLFRVOTIF-UNMCSNQZSA-N 396.487 3.713 0 40 GHAB C[C@@H](C(=O)Nc1ccc(NC(=O)CCc2ccccc2Cl)cc1)n1cncn1 25294554 RXTMZDBFUKHYIX-AWEZNQCLSA-N 397.866 3.703 0 40 GHAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(C[C@@H]1CCCO1)C3 57111356 HNRINESKAYJYHG-LBPRGKRZSA-N 375.852 3.656 0 40 GHAB Cn1c(CNC(=O)c2ccccc2SC[C@@H]2CCCO2)nc2ccccc21 12603958 REFHFQROIGWNDF-HNNXBMFYSA-N 381.501 3.774 0 40 GHAB O=C1OCC[C@H]1Sc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 3317040 YBTAILNGVHZPMD-OAHLLOKOSA-N 390.823 3.586 0 40 GHAB O=C(NCCCN1CCCCCC1)NCc1ccccc1CN1CCCCC1 58167252 DAUTUBPRUVGIOO-UHFFFAOYSA-N 386.584 3.738 0 40 GHAB CCc1ccccc1-n1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc21 2239345 COWSQGSGKDCOIK-UHFFFAOYSA-N 390.443 3.522 0 40 GHAB CCNc1nnc(SC[C@@H](O)COc2ccc(Cl)cc2Cl)s1 12745498 BMPLPLQEODLJPA-VIFPVBQESA-N 380.322 3.809 0 40 GHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1Br 12892661 LILMCFKASMLZOQ-UHFFFAOYSA-N 391.284 3.983 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)c1 12910950 XWXRIWLIUVJLSI-MRXNPFEDSA-N 382.460 3.819 0 40 GHAB CC(C)(C)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)c1 13012330 JNLHAQGZJCQNPX-UHFFFAOYSA-N 395.459 3.573 0 40 GHAB c1ccc(-c2cc3c(Sc4nnnn4C[C@H]4CCCO4)ncnc3s2)cc1 8325652 FRYSHAQBQCEMIJ-CYBMUJFWSA-N 396.501 3.675 0 40 GHAB Cc1cc(C)c2nc(-c3ccncc3)cc(C(=O)NCCCn3ccnc3)c2c1 13281903 WSDKPEIQAWDKAK-UHFFFAOYSA-N 385.471 3.930 0 40 GHAB O=C(c1ccccc1Cl)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 4122753 WMNKKRNCDYABLD-UHFFFAOYSA-N 390.739 3.998 0 40 GHAB COc1ccc(N2C[C@@H](C(=O)Nc3nc4c(C)cccc4s3)CC2=O)cc1 5060896 NQDCZJVUSLJMEG-ZDUSSCGKSA-N 381.457 3.605 0 40 GHAB Cc1noc(C)c1CN1CCC([C@H]2CCCCCN2C(=O)NC(C)C)CC1 69778290 WQHBGXHMQBVGLA-HXUWFJFHSA-N 376.545 3.866 0 40 GHAB Cc1ccc(OCc2ccc(C(=O)N3CCC(n4cncn4)CC3)o2)c(C)c1 65530137 BCBSHNIEQFRCMO-UHFFFAOYSA-N 380.448 3.544 0 40 GHAB COc1cc(-c2c3c(nc4c5c(ccc24)CCC5)COC3=O)cc2c1OCO2 66088601 BGODNRKWKVEJSI-UHFFFAOYSA-N 375.380 3.798 0 40 GHAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc3c(c2)OCO3)cc1 5554885 HGQUXBIRVSUFBH-UHFFFAOYSA-N 380.400 3.780 0 40 GHAB CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(C)c1ccccc12 6624034 QKBMDXRZMUJTGE-XMMPIXPASA-N 387.483 3.819 0 40 GHAB biogenic CN(C)c1ccc(-c2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)cc1 6781126 YPBXETHGDZOHAS-UHFFFAOYSA-N 395.466 3.826 0 40 GHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(Br)cc1F 15008224 MRJDRAKTUKUZGW-UHFFFAOYSA-N 375.201 3.730 0 40 GHAB O=C(CSc1nnc(NCc2ccccc2)s1)NCc1cccs1 4997303 STCCPNVAGJLPPW-UHFFFAOYSA-N 376.532 3.620 0 40 GHAB O=C(COC(=O)Cc1ccc(Br)cc1)Nc1ccc2c(c1)CCC2 4913062 DSSKVLJTOSFRGF-UHFFFAOYSA-N 388.261 3.662 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)cc1 6905594 DDNDWDHIELTKEZ-UHFFFAOYSA-N 395.440 3.792 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(CCC3CCCCC3)n2N)c1 7140252 MIQWFLHGFSUBJH-UHFFFAOYSA-N 387.553 3.852 0 40 GHAB CCOc1cc(C(=O)CCC(=O)Nc2nc3ccccc3n2CC)ccc1O 8709901 CCWPLBOBFXAYIT-UHFFFAOYSA-N 381.432 3.762 0 40 GHAB Cc1nnc([C@H](C)OC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)o1 67740775 FOFLZEJWUCFIFH-ZDUSSCGKSA-N 399.472 3.861 0 40 GHAB Cc1cccc2nc(CN3CCC[C@H]3c3nc4ccccc4s3)cc(=O)n12 7606233 YMVLTKJZTWZPJY-KRWDZBQOSA-N 376.485 3.950 0 40 GHAB Cc1cnc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)s1 7800666 MMGAHDUMULUGPV-UHFFFAOYSA-N 377.425 3.813 0 40 GHAB Cc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(Cl)cc2)cc1 9237439 UXNWJHZCJDDCES-SJORKVTESA-N 399.907 3.946 0 40 GHAB CC(C)(C)c1ncc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cn1 95454947 BIPVCKLHUGLNHK-INIZCTEOSA-N 391.479 3.928 0 40 GHAB C[C@H](OC(=O)c1cnc(Cl)c(N)c1)c1nc(-c2ccc(Cl)cc2)no1 95452621 MEMXDBHWRBDLAJ-QMMMGPOBSA-N 379.203 3.939 0 40 GHAB C[C@H]1CCCN(C(=O)c2ccc(N3CCCN(Cc4cccs4)CC3)nc2)C1 95958770 ZRMZXMKXGRFOEK-SFHVURJKSA-N 398.576 3.728 0 40 GHAB CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cnc2ccccc2n1 59577487 NCBVDZVRRPTBMP-AWEZNQCLSA-N 377.366 3.525 0 40 GHAB Cc1occc1C(=O)N1CCO[C@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306140758 VDGFEXSLNUBFNN-FQEVSTJZSA-N 388.427 3.511 0 40 GHAB COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)ccc1OCC(=O)O 409105857 LNKDYBLWBCLYCH-MLPAPPSSSA-N 393.317 3.670 0 40 GHAB CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 30881006 LQAPUOQAGIDLRE-FKBYEOEOSA-N 398.547 3.520 0 40 GHAB biogenic,in-vitro O=c1c2nccnc2nc(SCc2cccc(F)c2)n1Cc1ccccc1 6818533 AFZRGNVPIHHXSH-UHFFFAOYSA-N 378.432 3.666 0 40 GHAB Cc1ccc(NC(=O)COc2ccc(Br)cc2C(=O)O)cc1C 217717907 MISPGIFKTVUGML-UHFFFAOYSA-N 378.222 3.782 0 40 GHAB O=C(c1cscn1)N1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 72362632 CVUKMZNLPGJYSP-ZDUSSCGKSA-N 384.436 3.884 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C 224973487 HHNNZAWHEXXYOL-RBUKOAKNSA-N 382.504 3.706 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 225347691 URSDWHDTLNUSEV-QZTJIDSGSA-N 382.504 3.570 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3c(F)cccc3F)ccc21 223112048 YUHSDFNTYYVKNS-UHFFFAOYSA-N 393.415 3.554 0 40 GHAB COc1cc(N)ccc1NC(=O)COc1c(C)cc(C)cc1Br 227156933 AZRZQZGXGOVCPH-UHFFFAOYSA-N 379.254 3.674 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1 44899720 YRZHUABUMCPIHQ-FXAWDEMLSA-N 388.533 3.725 0 40 GHAB COc1ccc(C(=O)N2CCOCC2)cc1COc1cccc2ccccc12 224305437 KPVTXFDVFLPYGF-UHFFFAOYSA-N 377.440 3.900 0 40 GHAB Clc1cccnc1N1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 48311204 ZCXPVOPIGOVZJY-UHFFFAOYSA-N 385.924 3.945 0 40 GHAB COc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 222703975 DSKMPUFBFYMXFI-GOSISDBHSA-N 396.531 3.878 0 40 GHAB CCOC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1C 224968414 WVIJOTOLDOTZLX-UHFFFAOYSA-N 397.880 3.659 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C)c1 223000541 IIMSGVMLRAAXCP-RTWAWAEBSA-N 392.528 3.800 0 40 GHAB Cc1c(C(=O)NCC[C@H]2CCc3ccccc32)nnn1-c1cccc2cnccc12 572573984 SFWDVUMZPCIWDM-GOSISDBHSA-N 397.482 3.974 0 40 GHAB CCc1ccccc1NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225950662 ZSJFNACFLJFDGT-QGZVFWFLSA-N 380.897 3.522 0 40 GHAB COc1c(O)cccc1[C@@H]1CC(c2ccsc2)=NN1C(=O)CN1CCCCC1 226788777 MVTNVPBBUHCSGQ-SFHVURJKSA-N 399.516 3.626 0 40 GHAB COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1ccc(OC)c(Cl)c1 77200049 JHJPYAKISHGQBJ-KRWDZBQOSA-N 392.814 3.792 0 40 GHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4F)OCC[C@@]31C2 257240447 HTNRFFVGXWSFCF-NTQHEYMJSA-N 393.474 4.000 0 40 GHAB CNCc1cc([C@H]2CC[C@H](CN(C)Cc3ccc(C)cc3OC)CC2)nn1C 257237259 HFTWFQAETFLOQM-WGSAOQKQSA-N 384.568 3.862 0 40 GHAB CC1(C)C[C@@]2(NC(=O)N(Cc3c(Cl)oc4ccccc34)C2=O)C(C)(C)O1 622019043 JUKDRCPIIHUOGQ-IBGZPJMESA-N 376.840 3.854 0 40 GHAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2cccc(Cn3ccnn3)c2)cc1 666559022 CNCCUCBGIZTXGS-GOSISDBHSA-N 389.503 3.953 0 40 GHAB CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(Nc3ccn(C)n3)cc2)cs1 669270781 DVVFMCSAFVRZGO-AWEZNQCLSA-N 399.520 3.990 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=O)CC3(n4cccc4)CCOCC3)sc2c1 604419728 XGWULTXUBIPBRG-UHFFFAOYSA-N 398.488 3.591 0 40 GHAB CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(O)cc2)n(-c2ccccc2)n1 5060957 DIQOEXJACXCMQT-UHFFFAOYSA-N 393.443 3.671 0 40 GHAB C[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)C1CCCC1)c1ccccc1 5507691 WESMGRZWWAFWBY-INIZCTEOSA-N 394.471 3.850 0 40 GHAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)n1 11443384 JAJFTBQWVFYXJN-QMMMGPOBSA-N 387.292 3.544 0 40 GHAB O=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)c1cccc(N2CCCC2=O)c1 12199361 ZFRRLGXIPYONAI-OAQYLSRUSA-N 395.478 3.519 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)c1C 12751071 VVAUPNQUTBLXEW-UHFFFAOYSA-N 393.409 3.803 0 40 GHAB COc1ccc(-c2cc(CC(=O)N3CCCc4ccccc43)no2)cc1OC 12867848 YFZUOPPAXPEGRP-UHFFFAOYSA-N 378.428 3.881 0 40 GHAB COc1ccc(CCNC(=O)CSCCOc2cccc(Cl)c2)cc1 13003293 NSEBHCUNGYMABE-UHFFFAOYSA-N 379.909 3.820 0 40 GHAB CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1cccc2ccccc12 13669119 TYFQHXUKVUMUKS-UHFFFAOYSA-N 394.496 3.585 0 40 GHAB Cc1cc(=O)c(C(=O)Nc2ccccc2O)nn1-c1cccc(C(F)(F)F)c1 14704298 HUERKYHDJKJFGZ-UHFFFAOYSA-N 389.333 3.518 0 40 GHAB Nc1n[nH]c2nc([C@H]3CCCCN3C(=O)c3ccccc3)cc(C(F)(F)F)c12 19742247 RLWAPGLBNCJXKM-CQSZACIVSA-N 389.381 3.926 0 40 GHAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220699243 SVFRGRPHFQPFKW-OVWQWFNUSA-N 381.451 3.869 0 40 GHAB O=C(Nc1ncc(C2CCOCC2)s1)N1CCOC[C@H]1c1ccc(F)cc1 653564316 BNWQTQXRVCXVPE-INIZCTEOSA-N 391.468 3.782 0 40 GHAB COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C[C@@H](C)O)ccc2c1 12185751 SECHKIQIANHRGT-MRXNPFEDSA-N 379.456 3.960 0 40 GHAB Cc1ccc(-c2ccccc2CC2(C(=O)N[C@H](C)CO)CCOCC2)c(C)c1 12231613 VMMDZOHYLLVTBG-LJQANCHMSA-N 381.516 3.807 0 40 GHAB NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccc(F)cc2)C1 19340691 BPHVBHVGVCEFHM-DEOSSOPVSA-N 389.474 3.808 0 40 GHAB O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 19718889 XSBSDJAOEHTGLJ-AWEZNQCLSA-N 380.835 3.517 0 40 GHAB COc1cc(CO)cc(I)c1OCc1cccc(F)c1 2821566 XYLLYHKSGGJPNS-UHFFFAOYSA-N 388.176 3.510 0 40 GHAB O=C(c1ccc(Br)o1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1888847492 KIZYMJMIKSVRJT-QWRGUYRKSA-N 384.661 3.900 0 40 GHAB CCSc1nnc(NC(=O)C[C@H](NC(C)=O)c2ccccc2Cl)s1 32922313 XKMMXKKFPJNRSO-LBPRGKRZSA-N 384.914 3.510 0 40 GHAB CSc1nnc(CNC(=O)c2ccccc2C(F)(F)F)n1-c1ccccc1 4059353 IPYHFJXPAVKQDD-UHFFFAOYSA-N 392.406 3.938 0 40 GHAB Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1ccccc1F 4148135 OADDXUYGNPNPJI-UHFFFAOYSA-N 386.477 3.671 0 40 GHAB O=C(C[C@H](NCc1ccco1)C(=O)O)Nc1ccc(Oc2ccccc2)cc1 4280050 SSLKNXWYQIZUOS-IBGZPJMESA-N 380.400 3.644 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1-n1cccc1)Nc1ccc(F)cc1 5242379 LCSQLIFUTIPPPO-UHFFFAOYSA-N 383.408 3.521 0 40 GHAB COc1ccc(NC(=O)/C(=C\c2cccnc2)NC(=O)c2cccs2)cc1 4812406 QFXRNRYHUUPFCQ-SFQUDFHCSA-N 379.441 3.561 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](Cc1ccccc1)C(=O)O 36576460 HZBDBZWGLQMKKP-MRXNPFEDSA-N 384.432 3.683 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](c1ccccc1)c1nccn1C 40012022 RMVVQHYWBDNMEV-QGZVFWFLSA-N 389.484 3.766 0 40 GHAB CC(=O)N(c1nc(C)c(C(=O)Nc2ccc3oc(=O)ccc3c2)s1)C(C)C 40266279 HKTQYYAXOSFXLV-UHFFFAOYSA-N 385.445 3.572 0 40 GHAB COCCNc1nc2sc3c(c2c(=O)n1-c1ccc(F)cc1)CCCCC3 2324529 RECMZWLMUACFQQ-UHFFFAOYSA-N 387.480 3.914 0 40 GHAB COC(=O)Cc1c(C)c2ccc(O[C@@H](C)C(=O)c3ccccc3)c(C)c2oc1=O 2354165 RMWBPLZGKPDBJQ-HNNXBMFYSA-N 394.423 3.776 0 40 GHAB CCN(CC)C(=O)c1sc(NC(=O)c2ccc(C)cc2)c(C(=O)OC)c1C 871553 FSRQYJVYJMQBGJ-UHFFFAOYSA-N 388.489 3.886 0 40 GHAB CC1CCN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)CC1 905232 PNJGHQPKGSXQHS-UHFFFAOYSA-N 393.516 3.680 0 40 GHAB COc1cccc(-n2c(SCCN3CCCCC3)nc3ccccc3c2=O)c1 920390 MSTHPDXKLQFMEV-UHFFFAOYSA-N 395.528 3.972 0 40 GHAB CC(C)c1nc2sc3c(N(C)CCO)ncnc3c2c2c1COC(C)(C)C2 2448721 GZNOUCKTTPSVRK-UHFFFAOYSA-N 386.521 3.643 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 1324850 GYYKMHUBSXRQNI-KSSFIOAISA-N 392.546 3.535 0 40 GHAB COc1ccccc1N1CCN(C(=O)COc2cc(C)ccc2C(C)C)CC1 3480295 XESXPKYAGCXDCQ-UHFFFAOYSA-N 382.504 3.855 0 40 GHAB CC(C)Cn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21 3498610 CZPHKVWFBCPQPQ-UHFFFAOYSA-N 388.518 3.584 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccc(OC)c1 2446317 CJQQUGGZFGYMMK-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB Cc1cc(OCc2nnc(SCC(=O)O)n2-c2ccccc2)ccc1Cl 4125115 JFSDLNKCKAUERU-UHFFFAOYSA-N 389.864 3.985 0 40 GHAB C[C@H](Oc1ccc(C(N)=O)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 6289984 ABMQYJCMIXEIEJ-VIFPVBQESA-N 386.757 3.864 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)n2cc(C(=O)OC)c3ccccc32)cc1 6630500 YNXXBGYTAYVOGY-CQSZACIVSA-N 394.427 3.804 0 40 GHAB COc1ccccc1CNC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 7398086 DJWHHPCVIKQDPE-WWKNUYBVSA-N 398.547 3.669 0 40 GHAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1 7843037 BBMVDSHJHQDYBP-UHFFFAOYSA-N 386.757 3.997 0 40 GHAB Cc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c(C)c1 7920841 JALFPGDEQFIKBG-UHFFFAOYSA-N 383.883 3.608 0 40 GHAB CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCCC1CCCC1 51342568 QMEJWMLGJBHXAS-HXUWFJFHSA-N 399.560 3.783 0 40 GHAB COc1cc(NC(=O)Cn2cc(C(C)=O)c3ccccc32)cc(OC)c1OC 32101407 GZWRWYMWNAROBJ-UHFFFAOYSA-N 382.416 3.508 0 40 GHAB Cc1cc(C)c(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)c(C)c1 8333310 CXLGMPNYRMXTHS-UHFFFAOYSA-N 388.533 3.870 0 40 GHAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)NC(C)C 8475947 AVBGTVRAGMDUIB-UHFFFAOYSA-N 390.505 3.559 0 40 GHAB COc1ccc(NC(=O)c2ccc(SCc3nc(C)no3)cc2)c(OC)c1 29600653 VNXUWHPMOCNUJI-UHFFFAOYSA-N 385.445 3.940 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CCc2nc3ccccc3[nH]2)c1 21204552 MJIPPEYOONLBDZ-LJQANCHMSA-N 379.460 3.876 0 40 GHAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(Cl)cc1 2654317 IBMOCQWBCFFCKT-INIZCTEOSA-N 392.908 3.839 0 40 GHAB COc1ccc2ccccc2c1CNC(=O)N1CCC[C@@H](c2nc(C)no2)C1 69419553 STEHSIJJEUIMJY-MRXNPFEDSA-N 380.448 3.629 0 40 GHAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CCCN(C(=O)N2CCCC2)C1 32915761 ZALURZJWHLJILZ-LBPRGKRZSA-N 392.912 3.816 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3nc2C)cc1 2699465 ZGACMBRLXOQROR-UHFFFAOYSA-N 381.457 3.846 0 40 GHAB Cc1ccc(C)c(-n2c(S[C@H]3CCCCNC3=O)nc3ccccc3c2=O)c1 22202294 BEAHCYDOMXUDDP-IBGZPJMESA-N 393.512 3.763 0 40 GHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1sc(-c2ccc(F)cc2)nc1C 61050815 RWSJWTGGYZOPKG-QGZVFWFLSA-N 398.459 3.772 0 40 GHAB C[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F 42046480 TZIUUUKQLBUQNI-ZYHUDNBSSA-N 382.844 3.874 0 40 GHAB O=C(Nc1nc(-c2cccnc2)cs1)C1CCN(C(=O)c2cccs2)CC1 12516110 LKEYJELYALOCQF-UHFFFAOYSA-N 398.513 3.758 0 40 GHAB COC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1 113894885 WVRTZGCUKMZTNL-UHFFFAOYSA-N 388.272 3.670 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(c2ccccc2F)CC1 12527733 GGYBBTQFWGISLX-UHFFFAOYSA-N 386.515 3.576 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1N1CCCC1=O 20492083 XGWMOSGUAUONMQ-UHFFFAOYSA-N 396.468 3.776 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(CNC(N)=O)cc2)cc1 24392842 DQTIBMJICLNPII-FQEVSTJZSA-N 381.476 3.621 0 40 GHAB CC[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)Nc1cc(C)on1 12522036 QNOQTMFKADFVKT-ZDUSSCGKSA-N 377.857 3.727 0 40 GHAB CNC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1[C@H]1CCCC[C@H]1C 34878918 SONRTKQEEMOWOJ-KEYYUXOJSA-N 388.537 3.932 0 40 GHAB COc1ccc(-c2cc(C(=O)NCc3ccc(SC)cc3)n[nH]2)c(OC)c1 57477302 XFSRRHKWPBCIGJ-UHFFFAOYSA-N 383.473 3.746 0 40 GHAB CCc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12606971 YKKHDTMWXBFXPN-UHFFFAOYSA-N 389.381 3.899 0 40 GHAB CCc1cccc(C)c1NC(=O)Cn1c(=O)n([C@H](C)CC)c(=O)c2ccccc21 44840318 HFRYUYAXIGASON-MRXNPFEDSA-N 393.487 3.644 0 40 GHAB CCSc1nnc2n(-c3ccc(OC)cc3)c(=O)c3c4c(sc3n12)CCC4 2280835 HEVLNWAKEVTVQG-UHFFFAOYSA-N 398.513 3.704 0 40 GHAB Cc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c(C)c1 12776646 SBCZPRCUKLODFG-UHFFFAOYSA-N 381.501 3.982 0 40 GHAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)cc1 28287032 CQGVACSVHDHSSA-GFCCVEGCSA-N 378.384 3.704 0 40 GHAB COC(=O)c1sccc1NC(=O)CSc1nc2cc(Cl)ccc2n1C 48346263 FLQUTGFYXWYXEU-UHFFFAOYSA-N 395.893 3.806 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)c1ccccc1SCC(=O)N1CCCC1 12876788 UWARNDNFRZKSCV-INIZCTEOSA-N 398.528 3.901 0 40 GHAB COc1cc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc(OC)c1 12816907 VXWVZCUZWOWQSK-UHFFFAOYSA-N 384.461 3.572 0 40 GHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(I)cc2)c1 3434669 ZFNIPPBTRXSTDW-UHFFFAOYSA-N 381.213 3.926 0 40 GHAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)NC(C)C 408700358 DQCJNCJWLWOZSM-UHFFFAOYSA-N 390.505 3.641 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccc(C(C)(C)C)cc1 12982361 AXAJLQMENDYTBX-UHFFFAOYSA-N 377.488 3.812 0 40 GHAB CC(C)c1ccccc1NC(=S)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 13068655 AXOGELAKEAAJPH-ZDUSSCGKSA-N 377.535 3.505 0 40 GHAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1cccc(/C=C/c2ccccn2)c1 8405204 PTPQOJAUNVDNCE-RJRNSMGGSA-N 385.423 3.980 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2ccn(Cn3nc(C)c(Cl)c3C)n2)c(C)c1 28236082 RBAFWJBEUZWFPR-AWEZNQCLSA-N 385.899 3.963 0 40 GHAB Cc1cnc(NC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)s1 13654847 GBOVCGRSTPITJA-MRXNPFEDSA-N 396.516 3.743 0 40 GHAB Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cccnc2)c1C(=O)OC(C)C 6254217 VVLNDXJTVUUOAU-UHFFFAOYSA-N 390.461 3.834 0 40 GHAB CCc1ccc(OCCSc2nc(O)cc(=O)n2Cc2ccccc2)cc1 13957304 JZVPNRRKUYUOKY-UHFFFAOYSA-N 382.485 3.731 0 40 GHAB COc1cccc(NC(=O)[C@H](c2ccccc2)n2nnc(-c3ccccc3)n2)c1 14183623 HLVPPYHNZAWJHF-FQEVSTJZSA-N 385.427 3.577 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cc(Cl)ccc3F)ccc21 14246002 ASQIFDWDMQSKMO-UHFFFAOYSA-N 382.844 3.579 0 40 GHAB COc1ccc2oc(/C=C/C(=O)Nc3ccc(N4CCOCC4)cc3)cc2c1 67339857 ZAKAARBCGOIKMY-VQHVLOKHSA-N 378.428 3.930 0 40 GHAB COc1ccc(NC(C)=O)cc1N[C@H](C(=O)N1CCCCC1)c1ccccc1 7370405 IYOJZOQRBSJOGO-NRFANRHFSA-N 381.476 3.819 0 40 GHAB C[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1 15745246 FSMLYBBRUZJDKT-XXBNENTESA-N 386.495 3.948 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccccc1 9236366 RACGIKVLNWRPQQ-DLBZAZTESA-N 399.907 3.946 0 40 GHAB COc1ccc(NC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)cc1Cl 9289455 TVRWEBMVOIJUCF-UHFFFAOYSA-N 396.900 3.756 0 40 GHAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C(\Cl)c1ccc(C)cc1 19691797 VGSHOIQCAIPUAH-YBEGLDIGSA-N 375.852 3.688 0 40 GHAB CC(C)Cc1noc(CN2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)n1 71890546 YUWMJUQSKKNNGU-LJQANCHMSA-N 388.556 3.661 0 40 GHAB Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 9426964 DPJUMNUJCAHMSU-NSHDSACASA-N 387.288 3.607 0 40 GHAB O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ncc(Cl)cc1Cl 9645305 MPCDVEQHXBRSRC-UHFFFAOYSA-N 395.029 3.886 0 40 GHAB O=C(COCC(=O)Nc1ccc(OCc2ccccc2)cc1)Nc1ccccc1 9669284 GMKLBYMRHRLRHL-UHFFFAOYSA-N 390.439 3.859 0 40 GHAB COc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4)n3)n2)cc1F 9802889 UBAMVUQSFXRIBN-UHFFFAOYSA-N 395.419 3.791 0 40 GHAB Cc1cc(CNc2ccccc2I)ccc1-n1cncn1 84101538 UCVKAANZCMJLPT-UHFFFAOYSA-N 390.228 3.792 0 40 GHAB COc1ccc(Cc2nnc3n2N=C(c2ccccc2)[C@H](C)S3)cc1OC 89919815 SYJOHXONCGGQQJ-ZDUSSCGKSA-N 380.473 3.633 0 40 GHAB COc1ccc(-c2cc(N3CCC(NC(=O)c4sccc4C)CC3)[nH]n2)cc1 98212778 JALMJKLXSMOPQP-UHFFFAOYSA-N 396.516 3.854 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)NCC(=O)Nc2ccc3cn[nH]c3c2)ccc1C(C)C 79019810 XKQUJBRKMVRGCT-HNNXBMFYSA-N 394.475 3.517 0 40 GHAB CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 408708008 NEUHFRCUSPNPGV-LJQANCHMSA-N 380.488 3.706 0 40 GHAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2CN(Cc3ccccc3F)C[C@H]21 306125002 CEGZCGAYZJEYKX-SIKLNZKXSA-N 394.471 3.643 0 40 GHAB CC(C)n1nnnc1[C@H](c1ccccc1Cl)N1CCN(c2ccccc2)CC1 35290679 UKOUMXPCCHNMLW-FQEVSTJZSA-N 396.926 3.819 0 40 GHAB CN(c1ccc(-c2csc(Cc3ccc(F)cc3)n2)cc1)S(C)(=O)=O 506941830 ZHCFYHHYILAUGY-UHFFFAOYSA-N 376.478 3.936 0 40 GHAB CCC(=O)N1Cc2sc(C(C)C)nc2C2(CCN(Cc3cccnc3)CC2)C1 306133731 MTXCDJINQKOUPD-UHFFFAOYSA-N 398.576 3.948 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)C)ccc2Cl)c(C)c1 409380308 BWCYEGKHJGDROZ-UHFFFAOYSA-N 380.897 3.896 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 38834476 XCVIROQOAVCCHJ-GOSISDBHSA-N 384.451 3.853 0 40 GHAB c1csc(-c2nc(N3CCN4CCCC[C@@H]4C3)ncc2-c2ccncc2)c1 72396559 ZIAUZBMIAMJAAV-QGZVFWFLSA-N 377.517 3.942 0 40 GHAB Cc1nn(C)c2c(N3CCN(c4cccc(Cl)c4)CC3)nc(C(C)C)nc12 32651327 COIZMEWWJAANJM-UHFFFAOYSA-N 384.915 3.775 0 40 GHAB Cn1ncc2c(C(=O)Nc3ccc4c(c3)OCCO4)cc(-c3ccccc3)nc21 36616504 SVVNQZXVRKROCX-UHFFFAOYSA-N 386.411 3.659 0 40 GHAB Cc1ccccc1NC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 35313924 SECBKXWKABXCDJ-UHFFFAOYSA-N 380.444 3.893 0 40 GHAB CCSc1ccccc1C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219651658 JYHIVAFXXFZHCS-UHFFFAOYSA-N 399.472 3.796 0 40 GHAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 49006329 IWDXXTPVEZQBRG-UHFFFAOYSA-N 384.317 3.968 0 40 GHAB O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078862 RTGAICQBJAIJCU-IBGZPJMESA-N 398.890 3.842 0 40 GHAB CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 224823362 ADBQFILEXUZDAZ-UHFFFAOYSA-N 390.574 3.873 0 40 GHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 222902529 YCRBORRVRGDNCE-OAHLLOKOSA-N 388.458 3.839 0 40 GHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCCc3ccccc3)ccc21 225709722 TVMITEWMNYRHHU-UHFFFAOYSA-N 390.530 3.555 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(CC)cc1 224767786 NGFHPQXUUZCQKP-IBGZPJMESA-N 396.531 3.880 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@@H](CNCCc2cccc(Br)c2)C1 89223571 LFLCLGISMPCQMA-HNNXBMFYSA-N 383.330 3.838 0 40 GHAB CC[C@@H](C)Oc1c(/C=c2\sc3nc4ccccc4n3c2=O)cccc1OC 197790998 VCHINAAEBUHKEG-FDIDITGRSA-N 380.469 3.643 0 40 GHAB C[C@@H]1CCc2c(sc3ncnc(N(C)Cc4nnc5n4CCCCC5)c23)C1 48275210 VSRCNTVITLMARK-CYBMUJFWSA-N 382.537 3.770 0 40 GHAB CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(OC)c(OC)c1 225495042 RUNFDPZLDXYXMK-AWEZNQCLSA-N 399.896 3.795 0 40 GHAB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cn2)C1 224046166 PWQCZZGDKHAVEA-HUUCEWRRSA-N 398.532 3.779 0 40 GHAB Cc1cc(C)cc(OCCNS(=O)(=O)Cc2ccc(Br)cc2)c1 224082548 IYEMMLGKUWRVGR-UHFFFAOYSA-N 398.322 3.564 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(OC)cc1 225187960 WWNLDSQIGYPWHM-QFIPXVFZSA-N 396.531 3.880 0 40 GHAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)cc1 223429417 XMTLGGGMZUCQHM-VQTJNVASSA-N 378.501 3.601 0 40 GHAB O=C(C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21)NC1CC1 96052993 FAHFDZHSHHKZME-LJQANCHMSA-N 375.516 3.771 0 40 GHAB Cc1cc(-c2cnc(N3CCN4CCCC[C@H]4C3)nc2-c2cccs2)on1 253599981 ANKLIAVHAIUGDZ-HNNXBMFYSA-N 381.505 3.843 0 40 GHAB Cc1nccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)n1 257233637 GQBNABOYWOXCOC-IBGZPJMESA-N 380.423 3.870 0 40 GHAB O=C(CCCc1nc(O)c2ccccc2n1)Nc1ccc(C(F)(F)F)cn1 252483017 DSMOMGRNFZZHMZ-UHFFFAOYSA-N 376.338 3.711 0 40 GHAB CCCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CC(F)C1)C2 585107134 PUAZDRANPQCXDV-CNXQINBVSA-N 382.483 3.668 0 40 GHAB CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 5978012 YMRWVEHSLXJOCD-UPEJMJFTSA-N 382.541 3.679 0 40 GHAB Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 12042900 VDJLIUWAXQMMFH-UHFFFAOYSA-N 399.402 3.835 0 40 GHAB COc1ccc(CCNc2ncnc3c2nnn3Cc2ccccc2Cl)cc1 12481613 VVNSBVHRBSDWFS-UHFFFAOYSA-N 394.866 3.586 0 40 GHAB O=C(Cc1ccccc1)Nn1cc(-c2ccc(Br)cc2)sc1=O 16739909 QMDRTIFTAPQMQD-UHFFFAOYSA-N 389.274 3.652 0 40 GHAB CC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccc(C(C)C)cc4)C3)ncc2C1 19453236 ZWPFEKNSWDKOQP-NRFANRHFSA-N 392.547 3.884 0 40 GHAB CCCN1CCN(C(C)=O)C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O 19503027 GXBFNMULOMNLNT-HXUWFJFHSA-N 382.479 3.752 0 40 GHAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CC2)C1 19528802 OKXAORPZQMCHSB-JOCHJYFZSA-N 382.529 3.722 0 40 GHAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3F)N2C(=O)c2ccccc2)N1 19712129 LBFNJIQPADYMCK-HLAWJBBLSA-N 380.463 3.710 0 40 GHAB CN1CCN(Cc2ccccc2)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 19589571 WRCQNBPZRINOKX-XMMPIXPASA-N 385.511 3.882 0 40 GHAB COc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1 5666969 IGYBUZHBAKRVME-MRXNPFEDSA-N 389.451 3.979 0 40 GHAB CCN(CC(=O)Nc1ccccc1Br)Cc1ccc2c(c1)OCO2 11364536 MMQVLNPSCSGDKI-UHFFFAOYSA-N 391.265 3.638 0 40 GHAB Cc1nc(C)c(CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)s1 1849479968 RPHPKINCRWDAAI-UHFFFAOYSA-N 386.496 3.521 0 40 GHAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2F)cc1 2468206 MFTGLXGVGRBXQX-UHFFFAOYSA-N 375.400 3.890 0 40 GHAB COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCCSc1ccccc1 4017117 WSZOJOQDUPJJIN-IBGZPJMESA-N 398.484 3.659 0 40 GHAB CCCCCn1c(=O)[nH]c2cc(C(=O)NC[C@@H](CC)CCCC)ccc2c1=O 4791231 ARNDBFWRJNPTBG-INIZCTEOSA-N 387.524 3.826 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl 5189634 ZMISBMXCGJRSNZ-UHFFFAOYSA-N 376.236 3.935 0 40 GHAB O=C(Cc1csc(SCc2cccc(Cl)c2)n1)NC[C@H]1CCCO1 8938210 SBQVLBYBDDVBED-OAHLLOKOSA-N 382.938 3.927 0 40 GHAB Cc1cccc(CO[C@@H]2CN(C(=O)c3cccc(Cl)c3)[C@@H]3CCCO[C@H]23)n1 2055739164 MVWKTLWWVFAZMH-AQNXPRMDSA-N 386.879 3.632 0 40 GHAB Cc1nc2ccccc2n1C1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 1775974062 KQVKZOPHROIYMF-UHFFFAOYSA-N 395.406 3.609 0 40 GHAB Cc1nc2ccccc2n1CC1CCN(C(=O)c2ccc3nsnc3c2)CC1 36708725 CGTLMVWWVLUPER-UHFFFAOYSA-N 391.500 3.902 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCC(S(=O)(=O)c2ccccc2)CC1 39308484 HDQVMRUXQCERGG-UHFFFAOYSA-N 394.496 3.556 0 40 GHAB Cc1cc(OC2CCN(C(=O)c3cccc4ccccc34)CC2)cc(=O)n1C 575611528 ZVIAYFAKPSIPEC-UHFFFAOYSA-N 376.456 3.531 0 40 GHAB O=S(=O)(NCc1ccc(-c2cccs2)o1)c1ccc(-n2cccn2)cc1 575609064 OAXLDSJCSDDSHP-UHFFFAOYSA-N 385.470 3.672 0 40 GHAB O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCCN(Cc2ccc(F)cc2)CC1 25517848 FBUFXRKGKMRLSG-UHFFFAOYSA-N 396.441 3.703 0 40 GHAB C[C@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)c1cccc2ccccc12 40123096 MCUNIKFEEBACEW-AWEZNQCLSA-N 396.878 3.611 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc(NC(N)=O)c2)C1 40091122 JUHVPYDWZOICOV-GJZGRUSLSA-N 394.475 3.548 0 40 GHAB COC(=O)c1cn(CC(=O)N2CCC[C@@H]2Cc2ccccc2)c2ccccc12 30763588 LYKUCKPOBAXPMP-GOSISDBHSA-N 376.456 3.662 0 40 GHAB O=C(NC[C@H]1CCCc2ccccc21)[C@@H]1CCCN(C(=O)c2cccs2)C1 30897930 WIEWSOHCSQTPPL-QZTJIDSGSA-N 382.529 3.837 0 40 GHAB COc1cccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)O)c1OC 868457 GZIFKDGMGGIQOY-SFHVURJKSA-N 396.443 3.555 0 40 GHAB Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)cc1C 885893 GZGMWAVBOPDFJB-ALFLXDJESA-N 387.435 3.834 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)no1 905383 WNGIKFRBBJIDHD-UHFFFAOYSA-N 381.417 3.555 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1506150 AOCVLUGXESKETL-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB COc1cc2c(cc1OC)-c1cc(N3c4ccccc4C[C@@H]3C)nc(=O)n1CC2 2118833 ZEQIJAZQLJZDAV-AWEZNQCLSA-N 389.455 3.566 0 40 GHAB biogenic CCCC(=O)Nc1ccc(OCc2nnc3c4ccccc4c(C)nn23)cc1 2347480 ZZJOHSBUQDSYFU-UHFFFAOYSA-N 375.432 3.904 0 40 GHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(OCC)cc1 2419055 ASXUNMNZMRWWHU-FQEVSTJZSA-N 390.443 3.666 0 40 GHAB Cc1sc2nc(CSc3nnc(C)n3Cc3ccccc3)[nH]c(=O)c2c1C 3341450 ZWYYUXPYDZLIHM-UHFFFAOYSA-N 397.529 3.842 0 40 GHAB O=C(NCc1nnc(S)n1-c1ccc(F)cc1)c1cc(Cl)ccc1Cl 4059230 AGMMPROLVNYKRH-UHFFFAOYSA-N 397.262 3.932 0 40 GHAB O=C(NC1CCCC1)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 4084308 UFQZCXCQGCZSQD-UNMCSNQZSA-N 385.467 3.697 0 40 GHAB biogenic COc1ccc(C(=O)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)cc1 4167697 RVXPVWMMLRIREY-UHFFFAOYSA-N 396.399 3.810 0 40 GHAB Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3cccs3)cs2)cc1 4496125 WRGWXCWHEMRGRP-UHFFFAOYSA-N 378.500 3.592 0 40 GHAB CCOC(=O)C1=C(CSc2ccc(F)cc2)NC(=O)N[C@H]1c1ccccc1 4564144 SZFMCVPKDYTDJD-SFHVURJKSA-N 386.448 3.789 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)COc2ccccc2)c1 4585498 GPNQSRZXGCPBCZ-UHFFFAOYSA-N 385.423 3.712 0 40 GHAB Brc1ccc(C2=Nn3c(Cc4ccccc4)nnc3SC2)cc1 4753826 DBWPYBAGWWAJNR-UHFFFAOYSA-N 385.290 3.990 0 40 GHAB COc1cccc([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C3=C2C(=O)OC3)c1OC 4944655 IUMGKIWGLNXPFT-KRWDZBQOSA-N 393.439 3.652 0 40 GHAB O=C(CSc1nnnn1-c1ccc2ccccc2c1)Nc1ccc(F)cc1 5015356 QRZLGAVFCGLMBC-UHFFFAOYSA-N 379.420 3.685 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269347 IYDYJJSOYOLJHI-UHFFFAOYSA-N 396.830 3.589 0 40 GHAB O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)c1ccccc1NCCO 5278043 CKOKUFSNIRATEX-UHFFFAOYSA-N 396.487 3.614 0 40 GHAB COc1ccc(C)cc1-n1c(SC[C@H]2CCCO2)nc2ccccc2c1=O 5937354 ANGBFBRMCXEJGI-OAHLLOKOSA-N 382.485 3.974 0 40 GHAB O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(F)cc1 6462581 ZYQARHSIRBFAPG-UHFFFAOYSA-N 378.403 3.773 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)C1CCCCC1 6510584 LEBAHBMKCMPVCW-UHFFFAOYSA-N 380.444 3.864 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)N(C)Cc1c(F)cccc1Cl 6602137 RSKDWCALUALZTL-UHFFFAOYSA-N 379.815 3.728 0 40 GHAB O=S(=O)(NCCCSc1ccccc1)c1ccc(Br)s1 7216914 VCDGVWCFXQTWSM-UHFFFAOYSA-N 392.365 3.971 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 7308693 MFKIOTHIRQFMCK-UHFFFAOYSA-N 387.501 3.507 0 40 GHAB CN(C)S(=O)(=O)c1cccc(C(=O)OCc2ccc(C(C)(C)C)cc2)c1 7650967 BHKUUUBKSMWKLL-UHFFFAOYSA-N 375.490 3.591 0 40 GHAB Cc1ccc(-c2nnc(SCCCn3c(=O)[nH]c4ccccc43)n2C)cc1 7984120 ZYFXOGATBORAKQ-UHFFFAOYSA-N 379.489 3.616 0 40 GHAB COC(=O)c1[nH]c(CN[C@H](C)c2ccc3ccccc3c2)c(C(=O)OC)c1C 7984655 QUEGKFCIMMXKGL-CQSZACIVSA-N 380.444 3.900 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc2c(c1)OCCCO2 8013413 WLJRYNFSEPRGHC-UHFFFAOYSA-N 391.349 3.855 0 40 GHAB CCCCN1C(SCC(=O)c2ccccc2)=NS(=O)(=O)c2ccccc21 8023926 YMQDQZQPFHAPGG-UHFFFAOYSA-N 388.514 3.968 0 40 GHAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccc(F)cc1 8901209 DNOVAOLGIBBPAS-SFHVURJKSA-N 382.526 3.783 0 40 GHAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)nn1C 9002418 OQWKHYOQLZPZGO-UHFFFAOYSA-N 381.436 3.719 0 40 GHAB Cc1c(CC(=O)N2CCC(Cc3ccccc3)CC2)c(=O)oc2cc(O)ccc12 9135234 GEHZRXZTJMMTSS-UHFFFAOYSA-N 391.467 3.831 0 40 GHAB CCN(CC)C(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 9239038 VUKKSQHLQDSKMP-ZWKOTPCHSA-N 393.516 3.573 0 40 GHAB C[C@H](Sc1nnnn1-c1cccc(F)c1)c1nnc(-c2ccc(F)cc2)o1 9376566 QEYGULRFQDNKSD-JTQLQIEISA-N 386.387 3.844 0 40 GHAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc3c(c2)OCO3)cc1 9512956 MOYFZUXFGAJZDX-IBGZPJMESA-N 382.460 3.980 0 40 GHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NC(C(C)C)C(C)C)S(C)(=O)=O 10336377 VFOKQDSRLBEMMS-CQSZACIVSA-N 388.961 3.600 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CS[C@@H]2CCc3ccccc3N=C2O)cc1 11865810 XSAMZKUEIBDQNC-GOSISDBHSA-N 383.473 3.920 0 40 GHAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1OC 12136890 CFJBEVORCSQAMF-YVLHZVERSA-N 399.424 3.639 0 40 GHAB O=C(Cc1ccccc1F)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1 12158096 PJIAWGHVAMABLF-UHFFFAOYSA-N 397.475 3.517 0 40 GHAB COC(=O)c1cc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)oc1C 12569383 SNJXKOCYWWBDTK-UHFFFAOYSA-N 392.260 3.502 0 40 GHAB COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCc2ccco2)cc1 12655914 HOWQSSJOQREXAT-STZFKDTASA-N 390.439 3.684 0 40 GHAB COc1cc(NC(=O)CCc2ccc3c(c2)OCCO3)c(OC)cc1Cl 12771796 GTOVMMSLMSPTDC-UHFFFAOYSA-N 377.824 3.700 0 40 GHAB Cc1ccccc1C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 12788792 XPUUTPKLNVBRGG-UHFFFAOYSA-N 396.878 3.656 0 40 GHAB O=S(=O)(NCc1nnc2n1CCCCC2)c1ccc(C2CCCCC2)cc1 12864060 MQONXSJXFZVZAO-UHFFFAOYSA-N 388.537 3.531 0 40 GHAB COc1ccc(OCCOC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 12987701 KAVCBELVOZCCRH-UHFFFAOYSA-N 378.428 3.994 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1 13000250 ORQRJICMIARPFQ-NTEUORMPSA-N 383.444 3.851 0 40 GHAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 14397225 WOJDTJYNVAORKY-UHFFFAOYSA-N 389.455 3.646 0 40 GHAB COc1cccc(OS(=O)(=O)c2ccc(Br)cc2Cl)c1 16093813 FIFSSXJSKFHQSY-UHFFFAOYSA-N 377.643 3.879 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1cccc(N3CCCC3=O)c1)O[C@@H](C)C2 18238602 PBFQLXNKUUQLHF-AWEZNQCLSA-N 380.444 3.788 0 40 GHAB CC(=O)c1ccccc1NC(=O)CCCSc1nnnn1-c1cccc(F)c1 18593344 YEPYORGDDPHYRJ-UHFFFAOYSA-N 399.451 3.515 0 40 GHAB Fc1ccccc1CN1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19348975 YOORTDIBMUYCNC-CWRNSKLLSA-N 383.393 3.617 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)cc2N1 19574910 RWYRVQXWHZYZKJ-ORIJERBGSA-N 382.430 3.863 0 40 GHAB COc1ccccc1[C@H]1CCCN1CC(=O)Nc1ccc(-n2ccnc2)cc1 19657964 KVFJVQVUCOBAKI-HXUWFJFHSA-N 376.460 3.657 0 40 GHAB Cc1nc([C@@H]2CCCN2CC2CC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19740397 IMQJFMXSCJLRGD-FQEVSTJZSA-N 394.494 3.950 0 40 GHAB Cc1ccn2c(CN3CCC[C@@H](c4ccc5c(C)nn(C)c5n4)C3)c(C)nc2c1 19742496 OGJASZBHSIYPSB-GOSISDBHSA-N 388.519 3.921 0 40 GHAB COc1ccccc1CN1CCN(C(=O)COc2ccc3ccccc3c2)CC1 19888718 UCJOWIKNRBWRAB-UHFFFAOYSA-N 390.483 3.572 0 40 GHAB O=C(Cc1c(F)cccc1Cl)NCc1ccc(C(=O)N2CCCCC2)cc1 21961833 OSAZROGFOKOLID-UHFFFAOYSA-N 388.870 3.964 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)NCC1(N2CCOCC2)CCCCC1 22462211 OQKZKMDZMRPLEP-UHFFFAOYSA-N 383.536 3.642 0 40 GHAB CCCCN1C(=O)C[C@@H](C(=O)Nc2cccc(C)n2)[C@H]1c1ccc(OC)cc1 22691230 ADCWGIBOKJOBCL-WIYYLYMNSA-N 381.476 3.727 0 40 GHAB C[C@H](c1ccc(F)cc1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 22789789 LOUPLLMTJMOUDK-OAHLLOKOSA-N 375.875 3.796 0 40 GHAB CC(C)(CNCc1cn(-c2ccccc2)nc1-c1cccs1)N1CCOCC1 22933695 DPRCLZHEQWVQFF-UHFFFAOYSA-N 396.560 3.801 0 40 GHAB CN(Cc1ccc(Br)s1)C(=O)c1ccc(-n2ccnc2)cc1 24050201 GBIVBXOCKYGMSF-UHFFFAOYSA-N 376.279 3.969 0 40 GHAB CC(C)CC[C@@H](C)NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1 24977446 ORRSDUYEIAKWTP-OAHLLOKOSA-N 388.537 3.705 0 40 GHAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nccc(C(F)(F)F)n2)c(C)c1 25053481 GPMZXCBNIIGQSW-NSHDSACASA-N 398.410 3.941 0 40 GHAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCOCC1 25329496 PYLMYDSYZKUBKV-KXBFYZLASA-N 392.421 3.897 0 40 GHAB COc1ccc(-c2nsc(NC(=O)COc3cccc(C)c3)n2)cc1OC 27740012 NZKAKSUEMPBCLH-UHFFFAOYSA-N 385.445 3.548 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C 27746452 XOIIGHUUHAGAPE-ZDUSSCGKSA-N 385.395 3.989 0 40 GHAB Cc1cccc2sc(NC(=O)c3nn(-c4ccccc4F)c(C)cc3=O)nc12 28840810 ACGFLOCEGJUQHM-UHFFFAOYSA-N 394.431 3.850 0 40 GHAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccc(OC[C@@H]2CCCO2)cc1 29293057 BORPBKWAMVAZEZ-NRFANRHFSA-N 394.471 3.619 0 40 GHAB Cn1ccnc1[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1F 30646945 PJJGRUVKBIIUNA-OAQYLSRUSA-N 375.451 3.683 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 31186568 FFSJDVHDTCQUCX-UHFFFAOYSA-N 382.891 3.777 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 32103977 KQAUZHXTINUSMG-KRWDZBQOSA-N 395.890 3.529 0 40 GHAB O=C(NC1CCN(C(=O)C2CC2)CC1)c1cccc2c3c([nH]c12)CCCCC3 32786954 IREZJTHKMFDWPU-UHFFFAOYSA-N 379.504 3.568 0 40 GHAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 33005574 DDYNMYFGOVFJCZ-UHFFFAOYSA-N 378.453 3.882 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)cnc12 36397633 QYVBNORPGDLOQF-QFIPXVFZSA-N 393.462 3.892 0 40 GHAB CCN(C(=O)COc1cc(C)nc(N2CCCCCC2)n1)c1cccc(C)c1 44170294 NKYFQHVSTXDJKL-UHFFFAOYSA-N 382.508 3.906 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc(OCC(=O)N(C)C)c2)C2CC2)o1 44507003 KHZBGKMPQVKPGR-QRWLVFNGSA-N 396.487 3.675 0 40 GHAB CNC(=O)C1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1 48253299 UFCFNLFYUINWOJ-UHFFFAOYSA-N 386.879 3.517 0 40 GHAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ncc(C(C)(C)C)o2)CC1 48278095 NZCQCYOGCKAIGY-INIZCTEOSA-N 395.507 3.901 0 40 GHAB CCOc1ccccc1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 48367196 HRHZOKQLGLFLRB-UHFFFAOYSA-N 375.428 3.663 0 40 GHAB Cc1ccc(-c2nnc(CN3CCCC[C@@H]3CNC(=O)OC(C)(C)C)o2)cc1 50962695 RZKLTCAMSBEYFS-QGZVFWFLSA-N 386.496 3.924 0 40 GHAB O=C(Nc1ccccc1N1CCCC1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O 53307450 UPFXZTRSMKOOBE-HNNXBMFYSA-N 385.414 3.557 0 40 GHAB CCN(CC)CCNC(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1 70709901 YHYUGGAJBFUJGY-UHFFFAOYSA-N 399.560 3.797 0 40 GHAB CCCC(=O)N1CCN(CCC)C(=O)[C@@H]1Cc1ccc(-c2cccnc2)cc1 72351895 QTRWXGBHMKEKQA-NRFANRHFSA-N 379.504 3.541 0 40 GHAB COc1ccccc1Cc1cccc([C@H]2CCCN2CC(=O)N2CCCCC2)n1 72357628 GNVHLCNOQACGNR-JOCHJYFZSA-N 393.531 3.830 0 40 GHAB O=C(C1CCOCC1)N1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 72362887 GIIJAEKNOYXTMT-MRXNPFEDSA-N 385.439 3.541 0 40 GHAB CC(=O)N1c2ccc(S(=O)(=O)NCC3CCCCCCC3)cc2C[C@@H]1C 84718083 QULCGTRWOYAPGX-HNNXBMFYSA-N 378.538 3.623 0 40 GHAB CCc1nc(CN2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)no1 95964233 NPLXIXMRASVJOA-MRXNPFEDSA-N 376.460 3.822 0 40 GHAB CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 95998690 ZUVZFIIHCOOJGQ-AWEZNQCLSA-N 389.887 3.533 0 40 GHAB Cc1cc(OCC(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)cc(C)c1Cl 96025118 BKBLHJMZXABLOJ-UHFFFAOYSA-N 397.862 3.735 0 40 GHAB CCc1cc2c(=O)n3c(nc2s1)/C(=C\c1cc(OC)c2c(c1)OCCO2)CC3 96759337 QHSLTRCNULKEDH-JYRVWZFOSA-N 396.468 3.745 0 40 GHAB COc1ccc(C2=N/C(=C\c3cc(C)n(-c4cc(C)on4)c3C)C(=O)O2)cc1 96998169 BUNBIJJRZURELA-WQRHYEAKSA-N 377.400 3.744 0 40 GHAB COc1ccc([C@@H]2CC(=O)[C@@H]3C=Nc4ccccc4N[C@H]3C2)c(OC)c1OC 100855760 DXUMWCIVUIPWJB-JOQOYGCGSA-N 380.444 3.972 0 40 GHAB O=C(N(Cc1ccccn1)Cc1ccco1)C1(c2ccccc2)CCOCC1 101405108 UGSVVHJPIMEDQF-UHFFFAOYSA-N 376.456 3.952 0 40 GHAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C(c2ccco2)=NN3c2ccccc2)cc1 101460712 JEXBYCCOIRVSBY-FPOVZHCZSA-N 385.423 3.625 0 40 GHAB O=C(/C=C/c1cncc(F)c1)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)OCc1ccccc1 101735375 NGAFKUAMKOJCFZ-IXESVILPSA-N 394.446 3.508 0 40 GHAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 102887107 WZHPKMKGPOBFOJ-WOJBJXKFSA-N 390.439 3.759 0 40 GHAB CCCOc1ccc(CCC(=O)NCCCc2cnc3cc(C)nn3c2)cc1 207995098 WGZOIVLCFASMKH-UHFFFAOYSA-N 380.492 3.508 0 40 GHAB CCCOc1ccccc1CCCNC(=O)c1ccc(CN2CCCC2=O)cc1 219231063 JKHVGOXUTSUXBR-UHFFFAOYSA-N 394.515 3.960 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1cccc(OC)c1)S(C)(=O)=O 220610671 CTHBMSZQDYDCIO-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1 222634341 FWVGDVCJIMAPKV-ZDUSSCGKSA-N 395.286 3.536 0 40 GHAB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1 223097566 ZELJPWNOCZCIPE-LJQANCHMSA-N 380.532 3.994 0 40 GHAB Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224307222 NRURDJRUERHPEZ-GOSISDBHSA-N 384.495 3.866 0 40 GHAB CS(=O)(=O)N(CCCC(=O)NCC1CCCCC1)c1ccccc1Cl 224669994 BJXSUTAUQUKZST-UHFFFAOYSA-N 386.945 3.583 0 40 GHAB Cc1c(Cl)cccc1N(CCCC(=O)N(C)c1ccccc1)S(C)(=O)=O 225225459 UBYJRBJKTCBCHM-UHFFFAOYSA-N 394.924 3.858 0 40 GHAB CC1CCN(c2cc(N3CCCC3)nc(NC(=S)NC3CCCC3)n2)CC1 226005149 SYRWKMBKRLOLGT-UHFFFAOYSA-N 388.585 3.542 0 40 GHAB CC(=O)N1CCO[C@@H](c2cc(Cc3cccc(C(F)(F)F)c3)cc(C)n2)C1 257280094 OJKDAGHTYVCVCD-LJQANCHMSA-N 378.394 3.919 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1Cl 408588131 CMPZLQPDWHIKOE-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 408611586 UCJKLTKIHDFKIN-HNNXBMFYSA-N 396.390 3.931 0 40 GHAB CCC(C)(C)C1CCC(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1 408709711 FYTKQYQGAIJHGY-UHFFFAOYSA-N 383.536 3.938 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1sc2nccn2c1C)c1cccc(OC)c1 509901662 LYNGFEWSRFFKMV-QGZVFWFLSA-N 386.521 3.526 0 40 GHAB C[C@H](NC(=O)c1ccc2nc(C(F)(F)F)cn2c1)[C@H]1OCCc2sccc21 553857901 RMRFKUFZLOQNRT-MGPLVRAMSA-N 395.406 3.847 0 40 GHAB CCCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccco1)C2 585106854 JRDDFSNZPBEVNQ-QFIPXVFZSA-N 376.460 3.827 0 40 GHAB O=C([C@H]1CCCn2cc(C(F)(F)F)nc21)N1CCC(c2cscn2)CC1 585123911 NBNRQVRIBFJOAM-LBPRGKRZSA-N 384.427 3.642 0 40 GHAB COC[C@@H](CNC(=O)c1cc(C)n(-c2cnccn2)c1C)c1ccc(Cl)cc1 627622787 XCRCOQCKTNDDIE-QGZVFWFLSA-N 398.894 3.698 0 40 GHAB Cc1cc(-c2ncc(CNC(=O)n3cc(-c4ccccn4)cn3)cc2C)ccn1 642813669 CUYYBJHIJOLHFL-UHFFFAOYSA-N 384.443 3.777 0 40 GHAB Cc1ccc(O)cc1C(=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 1630663337 MXDOQWBMSBYANK-OAQYLSRUSA-N 387.439 3.996 0 40 GHAB COC(=O)c1c(NC(=S)NC(=O)c2cccs2)sc2c1CCCC2 2316515 OMEQWZXFMAWAIZ-UHFFFAOYSA-N 380.516 3.602 0 40 GHAB COc1ccc(-c2nnc(SCc3cccc(Br)c3)n2N)cc1 2397702 AQEJEXRKAGKATE-UHFFFAOYSA-N 391.294 3.722 0 40 GHAB CSc1ncc(C(=O)NC[C@H](c2ccco2)N2CCCC2)n1-c1ccccc1 7985167 RAWYZHAABXRBBK-QGZVFWFLSA-N 396.516 3.754 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)CN2CCC(CCc3ccccc3)CC2)cc1 11155463 DJSHSAARPPXWBH-UHFFFAOYSA-N 393.531 3.672 0 40 GHAB CC(C)CN(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCC1)c1cccs1 800231 PZMOFVYKMJCTIH-CQSZACIVSA-N 376.444 3.895 0 40 GHAB CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccc(F)cc3)N2C1=O 2487205 UKWVHLXSOSFSRZ-GDBMZVCRSA-N 376.453 3.816 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(COc2ccccc2C)o1 870508 SNHKMBYNUBDQHG-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB Cc1ccc(NCc2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)n2C)cc1 905052 XSGYFHKNOLUMQH-HZPDHXFCSA-N 387.553 3.617 0 40 GHAB O=C(Cn1c(-c2ccccc2)noc1=O)Nc1ccc(N2CCCCCC2)cc1 1332540 QYZONTUHXKCMNB-UHFFFAOYSA-N 392.459 3.522 0 40 GHAB aggregator Cc1coc2c(C)c3oc(=O)c(CCC(=O)NC[C@@H]4CCCO4)c(C)c3cc12 20427636 HLIYSILLOLNEIQ-HNNXBMFYSA-N 383.444 3.692 0 40 GHAB Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 3468619 LFOYZLSDKYONNG-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3c(c(=O)n2C)S[C@@H](C)C3)cc1Cl 4107777 IPWGVQYUTOXHIK-JTQLQIEISA-N 395.937 3.510 0 40 GHAB CCOCCCNc1nc2ccc(C(=O)c3ccccc3)cc2n2c(C)nnc12 7504046 LKYUUFXWZUDQDA-UHFFFAOYSA-N 389.459 3.655 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C 7504813 JXAQGQRLUFFQGX-UHFFFAOYSA-N 389.455 3.646 0 40 GHAB COc1ccc(O[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 7504960 GOEBFTDYOFLXJN-MRXNPFEDSA-N 388.895 3.773 0 40 GHAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1 7610221 IQGFCTUDKBKPEZ-UHFFFAOYSA-N 389.408 3.527 0 40 GHAB COc1ccc([C@@H](CNC(=O)Cn2c(C)cc3ccccc32)N2CCCC2)cc1 8193042 MCWSCLUYIKXOGC-HSZRJFAPSA-N 391.515 3.912 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810911 GEZDRLKZKSJNHY-GFCCVEGCSA-N 382.432 3.684 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1c2ccccc2C[C@H]1C 10449951 BSZHVXFSRDHGBZ-QGZVFWFLSA-N 398.528 3.761 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)N(Cc1ccco1)c1ccccc1 32876230 AZUKEIDHHFNRNW-UHFFFAOYSA-N 377.443 3.523 0 40 GHAB CC(C)c1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 32859814 UXJVLBGJJUSUDH-INIZCTEOSA-N 393.487 3.646 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 32889207 WVKIYFGFCGRWMN-LPHOPBHVSA-N 396.487 3.746 0 40 GHAB COc1ccccc1[C@H]1c2c(ncn(CCO)c2=N)Oc2ccc3ccccc3c21 101366264 IPVYXXRZPLEQOZ-OAQYLSRUSA-N 399.450 3.803 0 40 GHAB CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ncc[nH]2)CC1 101724805 LUKWKLIBIQYAAJ-CEXWTWQISA-N 382.508 3.538 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)ccn3n2)cc1 12414419 BVCMEYGCUWKSEL-UHFFFAOYSA-N 390.418 3.558 0 40 GHAB CC(=O)c1ccccc1OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 992699 GSCACHPSCNIHCA-UHFFFAOYSA-N 385.375 3.909 0 40 GHAB O=C(NC1CCCCC1)c1ccc2c(c1)nc1n2CCN(Cc2ccco2)C1 23411562 ZLOBJOOWDSYYBE-UHFFFAOYSA-N 378.476 3.708 0 40 GHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC[C@H](O)CN1CCN(c3ccc(F)cc3)CC1)C2 101213997 PCYLJSIICAVAJD-XMXZMMKCSA-N 390.543 3.540 0 40 GHAB COc1ccc([C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)c2nccn2C)cc1 24025654 QBJFZJOWZDXFQV-HSZRJFAPSA-N 389.499 3.756 0 40 GHAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cn1cnc2ccccc2c1=O 24458021 DHNJGPAVMVZHEP-GFCCVEGCSA-N 390.270 3.923 0 40 GHAB Cc1nc(NC[C@@H]2CCCO2)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 1252400 QFMGWTFIFMQAJT-ZDUSSCGKSA-N 384.505 3.990 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c(OC[C@@H]2CCCO2)c1 57363398 UVOSSXCOAYLMGX-DOTOQJQBSA-N 380.444 3.617 0 40 GHAB CCOC(=O)c1c(O)c2c(-c3ccc(Br)cc3)csc2[nH]c1=O 57315551 FZUOTARYQNOCQI-UHFFFAOYSA-N 394.246 3.901 0 40 GHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(Cl)ccc1N1CCCCC1)CS2 12521478 ZFOWJXWDAZUSBD-VQIMIIECSA-N 393.940 3.723 0 40 GHAB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(Cc2c(F)cccc2Cl)C1=O 3276408 XMMKAYULGFLIRD-HXUWFJFHSA-N 388.826 3.771 0 40 GHAB CCc1nc(C)c(C(=O)Nc2nc(-c3c[nH]c(C(=O)OC)c3)cs2)s1 58244765 GLDZIZXMRHBGES-UHFFFAOYSA-N 376.463 3.504 0 40 GHAB Cc1ccnc(-c2ccc(NC(=O)c3cnn(C)c3-n3c(C)ccc3C)cc2)n1 115129137 JFALXWBGNDHCBL-UHFFFAOYSA-N 386.459 3.845 0 40 GHAB COc1cccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c1OC 22509436 XAYIGNHFXFGSBC-UHFFFAOYSA-N 399.447 3.729 0 40 GHAB Cc1cccc(NC(=O)Cc2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)c1 8297023 QYOGZPBJCFLQKZ-UHFFFAOYSA-N 377.469 3.819 0 40 GHAB CC(C)(C)NC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 3344792 OGTHZFPQEDDGGW-UHFFFAOYSA-N 377.444 3.611 0 40 GHAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cccc(C(F)(F)F)c1 8274383 JFIWJBBNMVFXIV-INIZCTEOSA-N 376.334 3.612 0 40 GHAB CCN(C(=O)CSc1nnc(-c2ccco2)n1N)c1cccc2ccccc12 3431501 NPCWLWVUXTXCCF-UHFFFAOYSA-N 393.472 3.550 0 40 GHAB COc1cc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1 3466273 LFOBIRUTWIDSHI-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)c1 408688187 WKKYFEOCNABBNN-HKUYNNGSSA-N 390.439 3.793 0 40 GHAB CSCC[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)O 12985877 ITSPMXNOBKYVNG-SJORKVTESA-N 375.515 3.843 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1COc2ccccc2O1 3554817 BFSNEAZQRLKRJZ-KRWDZBQOSA-N 397.349 3.509 0 40 GHAB Cc1[nH]c(SCC(=O)NCCc2ccccc2F)nc1Cc1ccccc1 8341555 DOXUFVSWZZMMIB-UHFFFAOYSA-N 383.492 3.899 0 40 GHAB COc1ccc(OC)c(-c2cc(C(=O)Nc3ncccn3)c3ccccc3n2)c1 27976740 GXTZEQJZBRCNJR-UHFFFAOYSA-N 386.411 3.961 0 40 GHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)CCOc2ccccc21 8347576 ISLLGZSXHOYDEF-AWEZNQCLSA-N 395.484 3.631 0 40 GHAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc1CN1CCOCC1 49546182 LFCXJYSTEOQUPU-QGZVFWFLSA-N 398.507 3.603 0 40 GHAB C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1nccs1 13692532 DXMOYBGYDVQMOT-LBPRGKRZSA-N 392.440 3.708 0 40 GHAB Cc1ncc(C(=O)NC[C@@H]2Cc3ccccc3O2)c(Br)c1Cl 89505464 VSELVKRSGHIBDD-NSHDSACASA-N 381.657 3.539 0 40 GHAB CC(=O)c1cc(C(=O)c2ccccc2O)cn(-c2cccc(Cl)c2C)c1=O 14161793 VUCVIDDQEDBRRR-UHFFFAOYSA-N 381.815 3.939 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)o2)cc1 4575801 HLDLBIREFZNIGM-ZBFHGGJFSA-N 375.494 3.744 0 40 GHAB CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccnn3C(C)C)nc21 5490829 NMPPBBZJCLZZQI-UHFFFAOYSA-N 395.492 3.508 0 40 GHAB C[C@@H](NC(=O)C1CCOCC1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 66826622 RGASDIJHGZQXKA-CYBMUJFWSA-N 394.899 3.531 0 40 GHAB CC[C@H](C)NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 4995735 QVMNHRDIQSKNQO-HNNXBMFYSA-N 394.924 3.758 0 40 GHAB COCc1cccc(CNC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)c1 67062694 LVQGGXINVHWAFG-LJQANCHMSA-N 382.460 3.651 0 40 GHAB CN(Cc1cccs1)C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 5938885 JSZUHWJMQWFLJL-UHFFFAOYSA-N 392.480 3.936 0 40 GHAB CCc1ccc([C@H](NCc2nnc3n(C)c(=O)c4ccccc4n23)C(C)C)cc1 15522618 XWIRKSZNZLWQSS-OAQYLSRUSA-N 389.503 3.631 0 40 GHAB CCCNC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl 7311032 PSPGKFIJMAVBBX-UHFFFAOYSA-N 380.897 3.695 0 40 GHAB Cc1ccccc1-n1nnnc1SCC(=O)N(C)[C@@H]1CCCc2ccccc21 7587495 SRQKQCOQVDYYRZ-LJQANCHMSA-N 393.516 3.599 0 40 GHAB Cc1cccc2c(Cc3nn4c(Cc5ccccc5F)nnc4s3)noc12 19910099 LRRJUBXWWWFZRG-UHFFFAOYSA-N 379.420 3.956 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N3CC[C@H]3Cc3ccccc3)n2)cc1 72311748 MKOVLQPDGKAXEU-SFHVURJKSA-N 377.444 3.521 0 40 GHAB Cn1ccc2c(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cccc21 72402550 ZJHCGXTVSKICNE-UHFFFAOYSA-N 388.393 3.555 0 40 GHAB CC(C)Sc1ncccc1C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 84622361 DJQCWVKFOOPTMB-CQSZACIVSA-N 379.526 3.711 0 40 GHAB CCc1ccc(-c2csc(NC(=O)c3cn(Cc4cccnc4)nn3)n2)cc1 95962108 QHGYPOIDROKRNN-UHFFFAOYSA-N 390.472 3.660 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 408623845 ZTEWDLMMIFYVLQ-INIZCTEOSA-N 390.505 3.575 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1F 25089402 KHLGVYQPMZCTEU-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1NC(=O)c1ccccc1F 408557772 NXJKHTISWUTOEX-ZDUSSCGKSA-N 394.468 3.554 0 40 GHAB Cc1cccc(-n2c(=O)c3sccc3n(Cc3ccc(F)cc3F)c2=O)c1 67258177 HJSXNWGVAWEOQF-UHFFFAOYSA-N 384.407 3.849 0 40 GHAB COc1ccc(CCN(Cc2ccc(OC)c(O)c2)C(=O)C(F)(F)F)cc1 3847229 MFRTVOKRSCQNLU-UHFFFAOYSA-N 383.366 3.543 0 40 GHAB biogenic CN(Cc1ccsc1)C(=O)c1cccc(C(=O)N(C)Cc2ccsc2)n1 36760648 GMIKFHGNFFLEEY-UHFFFAOYSA-N 385.514 3.749 0 40 GHAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CC1 72398561 UFDXKTKGIQUDIZ-UWJYYQICSA-N 385.458 3.839 0 40 GHAB CCOc1ccccc1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 42646614 CAPHPTSJARWCFA-UHFFFAOYSA-N 388.467 3.972 0 40 GHAB COc1ccc(Cl)cc1CS(=O)(=O)CC(=O)N[C@H](C)CCCC(C)C 40106173 FUQFMZAHYWDFGA-CQSZACIVSA-N 389.945 3.594 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H](NCCc2cccc(Br)c2)C1 89212641 HIYHTVMFEBBJAI-INIZCTEOSA-N 383.330 3.981 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)c2)c1 223947729 JUCBQMRYSKEMFD-YRNRMSPPSA-N 384.501 3.714 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCc2nc(-c3cccc(C)c3)no2)c1 225815118 ZGSKBPQTAUQMAO-UHFFFAOYSA-N 396.472 3.708 0 40 GHAB Cc1cc(C)cc(O[C@H](Cc2ccc(I)cc2)C(=O)O)c1 225068205 NACGOWQPFONRBX-MRXNPFEDSA-N 396.224 3.983 0 40 GHAB Fc1ccc(-c2nc(CN3CCN(c4ncnc5c4CCC5)CC3)cs2)cc1 524491402 SJCRKDRKDKTIOD-UHFFFAOYSA-N 395.507 3.550 0 40 GHAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1 225451173 IYALQGUIVNRXPD-JOCHJYFZSA-N 396.531 3.750 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(CC)cc1 224213654 XTMZGBHVCDBFQE-QFIPXVFZSA-N 396.531 3.880 0 40 GHAB COc1ccc(Br)cc1C(=O)Nc1c(Cl)cc(N)cc1OC 227147039 GJPXOEINWFBOBU-UHFFFAOYSA-N 385.645 3.954 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 222535570 LLZNCCUIESVCLM-NRFANRHFSA-N 383.488 3.717 0 40 GHAB COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c(O)ccc2nsnc12 96231792 BXYANORKNZCTEZ-NSHDSACASA-N 398.362 3.991 0 40 GHAB CCc1ccc(C2=NN(C(=O)c3cccc(OC)c3)[C@](O)(C(F)(F)F)C2)cc1 96580089 KOMZRCGKFWRFIU-LJQANCHMSA-N 392.377 3.759 0 40 GHAB CCS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1ccc(Cl)cc1Cl 96519903 QUHNAZVAPDPPOJ-VHSXEESVSA-N 396.517 3.749 0 40 GHAB O=C(C[C@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21)NC1CC1 96052978 BOIFNBVFJHWSPP-INIZCTEOSA-N 381.545 3.833 0 40 GHAB C[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)CN2CCCCC2)C1 257213691 CIRAKSMSJMZEJJ-QHCPKHFHSA-N 399.510 3.771 0 40 GHAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H](c3cc(CO)[nH]n3)C2)cc1 257230095 GAUUQMPOLJWYFO-GOSISDBHSA-N 391.471 3.647 0 40 GHAB O=C(Nc1cccc(CNC(=O)c2cc(-c3ccco3)[nH]n2)c1)c1ccccc1 533673927 DKNRAIFGDRRDEX-UHFFFAOYSA-N 386.411 3.852 0 40 GHAB CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)c1 649203024 GHTYESXZVGPDJX-QGZVFWFLSA-N 394.805 3.790 0 40 GHAB O=C(COc1ccc(F)cc1)NCc1ccc([C@@H](O)c2cccs2)s1 90613555 OUBKVTYSKWYJJL-SFHVURJKSA-N 377.462 3.726 0 40 GHAB Cc1noc(C)c1CN1C(=O)CC[C@@]12CCCN(Cc1cccc(F)c1)CC2 585099858 KUFZRNWALZYMJF-JOCHJYFZSA-N 385.483 3.978 0 40 GHAB COc1ccc(CN(Cc2nc(N)nc(Nc3ccccc3C)n2)C2CC2)cc1 57270848 KSENPOHWILLINC-UHFFFAOYSA-N 390.491 3.679 0 40 GHAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)[C@@H]1CC(=O)N(c2ccccc2)C1 96104086 IQGXXYHXBLVURF-QGZVFWFLSA-N 392.503 3.545 0 40 GHAB CCN(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 1224299562 QRCKCXNQJAOJKK-OAHLLOKOSA-N 389.858 3.816 0 40 GHAB CCOc1ccc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 1615131325 UAEZRPOJUYDFOY-QHCPKHFHSA-N 398.478 3.622 0 40 GHAB CCOc1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1Br 11613829 GCBNKAMFZIDWHO-UHFFFAOYSA-N 384.295 3.635 0 40 GHAB Cc1nc(NCCc2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2n1 12481571 RPZQWHPKYAWXAN-UHFFFAOYSA-N 378.867 3.886 0 40 GHAB Cc1ccc(-c2nnc([C@@H]3CCN(C(=O)c4cc5c(C)cccc5[nH]4)C3)o2)cn1 19236657 LPHFBQQSFIGJMT-MRXNPFEDSA-N 387.443 3.859 0 40 GHAB COc1cccc(CC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2ccncc2)c1 19290062 CKKOMPBTBBBVLT-NRFANRHFSA-N 390.487 3.787 0 40 GHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1c(C)noc1C 19580160 PLTRFQVVRJKEBM-VWPQPMDRSA-N 395.503 3.691 0 40 GHAB CNC(=O)c1cc([C@H]2CCN(C(=O)CCc3ccccc3)C2)nc2ccccc12 19754579 RXSGTMFJAXMARM-SFHVURJKSA-N 387.483 3.543 0 40 GHAB C=CCOc1ccc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)cc1Br 8272249 WBFBUBJLMRHTIW-JYRVWZFOSA-N 396.266 3.658 0 40 GHAB COc1ccc(C2CCN(C(=O)C[C@H](n3cccn3)C(F)(F)F)CC2)cc1 611729708 RRUSLPJCMAFBKW-KRWDZBQOSA-N 381.398 3.791 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@H](c3cc4cnccc4[nH]3)C2)cc1OC 19560427 DKDGHOIQCQVVQC-INIZCTEOSA-N 379.460 3.529 0 40 GHAB CC(C)S(=O)(=O)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1888913947 AGAGAWHUEXOZJC-UHFFFAOYSA-N 396.516 3.609 0 40 GHAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Cl)C[S@](=O)C3)cc1 4106029 ZHTJKFRODVUMPX-AREMUKBSSA-N 385.876 3.849 0 40 GHAB Cn1ccnc1SCc1cc(=O)c(OC(=O)c2cc3ccccc3o2)co1 4251373 NMYYMFGBMPIBJE-UHFFFAOYSA-N 382.397 3.631 0 40 GHAB CCOC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc2c1CCC2 5710328 FEBSVGSUQYLHAA-UHFFFAOYSA-N 375.446 3.683 0 40 GHAB CCc1ccc(NC(=O)COc2cccc3ccc(N4CCOCC4)nc23)cc1 8769568 OYFMMBNJHKXWDS-UHFFFAOYSA-N 391.471 3.651 0 40 GHAB O=C(C[C@H]1CSc2nccc(=O)n21)Nc1ccc(Oc2ccccc2)cc1 12236240 XPVXDJLLSCVGRJ-HNNXBMFYSA-N 379.441 3.711 0 40 GHAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)CC(C)(C)C)c2cccs2)cc1 15780744 KYPBHIBMOLDTEJ-QGZVFWFLSA-N 395.546 3.824 0 40 GHAB O=C(CSCc1ccccc1)NCc1cc(-c2ccc3c(c2)OCO3)on1 16838597 FNIJBRZUMSGLGB-UHFFFAOYSA-N 382.441 3.620 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 2055803730 QCVMPZJQDQZJBE-GOSISDBHSA-N 392.837 3.508 0 40 GHAB CCCOc1ccc(N2C(=O)C[C@H](N3CCC(c4ccccc4)CC3)C2=O)cc1 18222847 GNJFDYDRTZJDFD-QFIPXVFZSA-N 392.499 3.987 0 40 GHAB Cc1cc(O[C@@H]2CCCN(C(=O)CSc3c[nH]c4ccccc34)C2)nc(C)n1 575609887 ROINKDSVRGWULE-MRXNPFEDSA-N 396.516 3.737 0 40 GHAB COc1ccc(CNC(=O)NC[C@H](c2ccco2)c2cccs2)cc1OC 585146723 HMZAKJFSJRMBJU-OAHLLOKOSA-N 386.473 3.990 0 40 GHAB O=C(Nc1cccc2c1CCCC2)N1CCN(CCOc2ccccc2)CC1 40098180 ANIDQYWWJHUOAW-UHFFFAOYSA-N 379.504 3.794 0 40 GHAB Cc1nccn1CCCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 67700841 NWVNOXDKTXYFGJ-UHFFFAOYSA-N 397.866 3.911 0 40 GHAB Cc1cc(NC(=O)CN(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)no1 11087963 RYIVBBNZOUVWDK-MRXNPFEDSA-N 392.459 3.867 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)NCc4ccccc4)ncnc32)cc1 1346370 QMKAKXSGMTUSAO-UHFFFAOYSA-N 389.484 3.532 0 40 GHAB COCCNc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2440389 CCWPHELDEQDTSL-UHFFFAOYSA-N 384.480 3.879 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N3CCCC[C@H]3C)n2C)c1C 4160834 XGOIJRBINPVQCL-OAHLLOKOSA-N 388.537 3.504 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(F)c2C)cc1 6205043 JQBSOLJZMZQNAT-IBGZPJMESA-N 392.496 3.774 0 40 GHAB COc1cc(C)c(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1OC 11647856 QDDFECXMSBEJKT-UHFFFAOYSA-N 390.490 3.634 0 40 GHAB CC[C@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1ccc(F)cc1F 32579505 HSXAKUXDEYOAHD-HNNXBMFYSA-N 389.431 3.665 0 40 GHAB CCN(C(=O)Cn1c(-c2cccc(Cl)c2)nc(C)cc1=O)c1ccccc1 57526709 FDQPZMSETPPJKW-UHFFFAOYSA-N 381.863 3.925 0 40 GHAB Cc1cccc(N(CCCC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)c1C 113960882 XXPBMTCPRUMKKN-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB O=C(N[C@H]1CCSc2ccccc21)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O 53121637 CWQXHQSYAFHTSV-PBHICJAKSA-N 388.439 3.671 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(Cc2ccsc2)CC1 22933521 XHZKGQNXIGXIRX-HNNXBMFYSA-N 377.941 3.855 0 40 GHAB Cc1ccccc1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 23115666 JPLPZGXIFXXXKN-UHFFFAOYSA-N 386.517 3.659 0 40 GHAB O=C(Cc1c(Cl)cccc1Cl)NC[C@@H]1CN(Cc2ccccc2)CCO1 24498152 DLCUNDZQOUTRNE-MRXNPFEDSA-N 393.314 3.553 0 40 GHAB Cc1c(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)oc2c(F)cccc12 24985814 ASLBORQWPVDNKQ-LJQANCHMSA-N 382.435 3.684 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 27752441 HZGWBRXMBKMFKP-NSDYXAQKSA-N 398.503 3.523 0 40 GHAB COc1ccc(-c2nnc(SC[C@H]3CN(Cc4ccccc4)CCO3)o2)cc1 25747100 RSRQELDBFXGXMC-LJQANCHMSA-N 397.500 3.738 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 20108634 AWNXKEZPRCHNGA-QZTJIDSGSA-N 388.533 3.644 0 40 GHAB O=S(=O)(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(F)c(F)c1 12536253 STVDPYCYTGXVGN-UHFFFAOYSA-N 395.456 3.976 0 40 GHAB CN1CCN(c2ccccc2NC(=O)CCc2nc3ccccc3s2)CC1 57501138 UNZZKRCWYUNVBB-UHFFFAOYSA-N 380.517 3.619 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 12540603 GLGFRECEZCASNI-OAQYLSRUSA-N 399.922 3.952 0 40 GHAB Cc1nc(SCC(=O)N(C)[C@@H](C)c2ccccc2)n(C[C@@H]2CCCO2)c1C 12556698 BYEKJLVUXPQYPL-HKUYNNGSSA-N 387.549 3.991 0 40 GHAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1coc2cc3c(cc12)CCC3 58014583 QWTXFLCRQTUOBU-OAQYLSRUSA-N 391.467 3.755 0 40 GHAB Cc1cc(C)n(-c2ccc(NC(=O)N3CCN(C4CCCC4)CC3)cc2F)n1 47859774 KGPDKEWIZMNWMY-UHFFFAOYSA-N 385.487 3.720 0 40 GHAB Fc1ccccc1N1CCN(Cn2ccn(Cc3ccccc3)c2=S)CC1 12645716 ZYHUOAFPFHPZRD-UHFFFAOYSA-N 382.508 3.986 0 40 GHAB Cc1cc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)ccc1F 12777914 NFOVWSFTKMJJDT-UHFFFAOYSA-N 393.462 3.891 0 40 GHAB COC(=O)c1cccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c1 12792489 JOSOCDKMRZLLLC-UHFFFAOYSA-N 390.424 3.792 0 40 GHAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCCSCc1ccc(C)cc1 12757148 PDFPGFBMJFCPPB-QGZVFWFLSA-N 380.513 3.860 0 40 GHAB Cc1ccc(NC2=NC(=O)[C@@H](CC(=O)NCc3ccc(Cl)cc3)S2)cc1 7784892 YCSXKHBFMCOMLN-MRXNPFEDSA-N 387.892 3.765 0 40 GHAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1cccc(NC(=O)C(F)(F)F)c1 12845986 AZVRAGFEALBWKI-ZSOIEALJSA-N 378.281 3.671 0 40 GHAB COCCn1c(C)cc(C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1C 3429105 DHBLMCLQKMXLAI-CYBMUJFWSA-N 389.517 3.977 0 40 GHAB CCCn1c(=O)n(CC(=O)Nc2ccc(Br)cc2)c2ccccc21 7734827 IAQROPVFVNMGGH-UHFFFAOYSA-N 388.265 3.614 0 40 GHAB Cc1cc(=O)oc2cc(OC(=O)c3nn(C(C)C)c(=O)c4ccccc34)ccc12 3566481 AXVZBFAQUIWLKN-UHFFFAOYSA-N 390.395 3.611 0 40 GHAB C[C@@H]1C(c2ccc(F)cc2)=[N+]([O-])[C@](C)(c2ccc(Br)cc2)N1O 3667849 RSIWYZBLPTWFQO-PIGZYNQJSA-N 379.229 3.854 0 40 GHAB COc1cccc(N2C[C@@H](C(=O)Nc3cccc(OC(F)(F)F)c3)CC2=O)c1 13016916 CRFWTTHKWPOBLI-LBPRGKRZSA-N 394.349 3.585 0 40 GHAB O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1cccc(OC2CCCC2)c1 13012020 RGBWFDAMUVDSCS-UHFFFAOYSA-N 385.489 3.994 0 40 GHAB COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc(Cl)c1 13494407 LSXCQIZLGVUJKC-UHFFFAOYSA-N 384.863 3.779 0 40 GHAB O=C(C[C@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccccc1 13690357 YVHUKRCGHSVBHN-IBGZPJMESA-N 386.411 3.746 0 40 GHAB CCCCn1c(-c2cccc(C(F)(F)F)c2)nc2c1c(=O)[nH]c(=O)n2CCC 6083755 CQIWLDFOLOMNMW-UHFFFAOYSA-N 394.397 3.782 0 40 GHAB C[C@@H]1CCC[C@H](NC(=O)NC(=O)CSc2nnc(C3CCCCC3)o2)[C@@H]1C 14183757 XVDIXAWAPLOGJG-NFAWXSAZSA-N 394.541 3.860 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(C(=O)NC2CC2)c1 14169578 QZKXQGJVLRFNFY-UHFFFAOYSA-N 388.471 3.693 0 40 GHAB Cc1ccnn1-c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 8278399 KWIRUGMGJXSIIK-FQEVSTJZSA-N 389.455 3.929 0 40 GHAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1cc(OC)cc(OC)c1 6605382 UUQXQSIWUSMRDZ-UHFFFAOYSA-N 383.473 3.957 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NC1CCCCC1 4863646 YCGUBJXACXHBJZ-UHFFFAOYSA-N 379.526 3.624 0 40 GHAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2cc[n+]([O-])cc2)c2ccccc21 6831902 RSZRRQGETDRQFQ-UHFFFAOYSA-N 386.407 3.518 0 40 GHAB COc1ccc(-c2nnc3sc(COc4cccc(C)c4)nn23)cc1OC 4938732 GZONFRBTXREMEH-UHFFFAOYSA-N 382.445 3.757 0 40 GHAB COc1cc(CN[C@H](C(=O)N2CCCC2)c2ccccc2)ccc1OC(F)F 15499617 JWKHKSNFKVOKTN-IBGZPJMESA-N 390.430 3.750 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)cc1 9531032 DWWRDGHJBYWWCF-MRXNPFEDSA-N 391.471 3.596 0 40 GHAB CC(C)N(CCc1nccs1)C(=O)c1cn(C(C)(C)C)nc1Br 96002136 JQWWZMKUIUSEEE-UHFFFAOYSA-N 399.358 3.950 0 40 GHAB COc1ccc(Cc2nnc(SC3=CS(=O)(=O)c4ccccc43)o2)cc1 9614877 JJIKZEXOBUFQGZ-UHFFFAOYSA-N 386.454 3.547 0 40 GHAB CCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)c2cccc(Cl)c2)c1 408553955 AHQWJZHVXFNFFI-UHFFFAOYSA-N 396.896 3.679 0 40 GHAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(NC(=O)c2ccccc2)nc1 97002826 OBDLMRMKRHZWNC-UHFFFAOYSA-N 397.438 3.701 0 40 GHAB O=C(N[C@@H]1CCSc2c(F)cccc21)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 84445615 KTIRRUIGGQCONN-RLFYNMQTSA-N 394.512 3.732 0 40 GHAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)NCc1ccc(F)cc1F 98211370 QEHHAAJAIFVGOG-UHFFFAOYSA-N 394.381 3.800 0 40 GHAB CCc1cnc(NC(=O)[C@@H]2CCC[C@H]2C(=O)Nc2ncc(CC)s2)s1 89289672 NIGWAYJAZYQJMI-CHWSQXEVSA-N 378.523 3.718 0 40 GHAB O=C(COc1ccc(C2SCCS2)cc1)Nc1cccc(C(=O)O)c1 408566515 AHKVZSRNKZSRDI-UHFFFAOYSA-N 375.471 3.881 0 40 GHAB COc1cc(Cc2noc(C3(c4ccccc4)CCC3)n2)ccc1S(C)(=O)=O 547098163 LQJXMFSEIGFIBO-UHFFFAOYSA-N 398.484 3.543 0 40 GHAB COc1ccc(C(=O)NC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 35289076 DVRVVVVCNNYOOZ-UHFFFAOYSA-N 387.867 3.775 0 40 GHAB CC1=NN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)[C@@](O)(C(F)(F)F)C1 32099988 ASCFZBHWZLEXAH-OQPBUACISA-N 385.169 3.620 0 40 GHAB CC(=O)[C@@H]1CCCCN1C(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 529441560 ZWMOKWIILHXHLQ-HNNXBMFYSA-N 392.381 3.823 0 40 GHAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccsc1C(F)(F)F 529519190 HZNBUDQAVPQELF-JTQLQIEISA-N 378.441 3.607 0 40 GHAB COc1ccccc1C(=O)Cn1cccc(-c2nc(-c3ccsc3)no2)c1=O 77100861 SXNHDHTWRHMJQC-UHFFFAOYSA-N 393.424 3.518 0 40 GHAB CCN(CC)C(=O)CN1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72348760 XRZBREMUQKEWCU-IBGZPJMESA-N 383.511 3.859 0 40 GHAB Cc1nn(C)c(C)c1CNC(=O)c1sc(-n2cccc2)nc1-c1ccccc1 72404054 UVBXEKFZOJIULY-UHFFFAOYSA-N 391.500 3.881 0 40 GHAB CC(C)Oc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 216391947 GQHRLVCNMQMDOO-UHFFFAOYSA-N 382.869 3.751 0 40 GHAB COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cscn4)C3)n2)c1 72362647 CWJPTEIEFUOQRU-CQSZACIVSA-N 396.472 3.754 0 40 GHAB Cc1ccc(OCC(=O)Nc2nn3c(-c4ccc(F)cc4)nnc3s2)cc1C 41108760 JOUCVJUILXOIHK-UHFFFAOYSA-N 397.435 3.626 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 223536930 SXBUXACPMFQMQB-LJQANCHMSA-N 382.504 3.544 0 40 GHAB CC(=O)[C@@H]1C[C@H](C(=O)N(C)c2ccccc2I)C1(C)C 222374340 QEUUGDPOMABRGB-NWDGAFQWSA-N 385.245 3.505 0 40 GHAB Cc1ccc(C(=O)C2CCN(CC(=O)NC(=O)Nc3ccccc3)CC2)c(C)c1 40086185 GXONQMRPBDLXRE-UHFFFAOYSA-N 393.487 3.546 0 40 GHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1CCc2ccccc21 225188511 KFGWOOQTPZHMSI-GOSISDBHSA-N 378.516 3.902 0 40 GHAB O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)[C@@H]1CC(=O)N(Cc2ccccc2)C1 575443950 BOOWHZKUOMUEJI-UTKZUKDTSA-N 387.483 3.710 0 40 GHAB Cc1ccc(F)cc1NCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 96562403 AHTARUZOQSUMOC-IDUWFGFVSA-N 386.404 3.969 0 40 GHAB COCCN1C(=O)CC[C@@H](C(=O)NC2CCCCCC2)[C@@H]1c1ccccc1F 257207068 BGFAKDGPFRCIBM-NQIIRXRSSA-N 390.499 3.591 0 40 GHAB Cc1noc(C)c1-c1cccc(C2CCN(C(=O)COc3cccnc3)CC2)n1 257342274 ZNXCWCSQAQZTPF-UHFFFAOYSA-N 392.459 3.533 0 40 GHAB CCCc1nn(-c2ccc3cc(-n4cc(Cl)cn4)c(=O)oc3c2)nc1CC 255187953 HVPDEZDBLLHYES-UHFFFAOYSA-N 383.839 3.728 0 40 GHAB CC(C)n1cnc2cc(C(=O)N(CCCc3ccccc3)CC(=O)O)ccc21 257213314 CHAQZRNCIAYIFD-UHFFFAOYSA-N 379.460 3.777 0 40 GHAB Cc1nc(C(=O)N2CCC[C@H](CC(=O)Nc3ccc4nc(C)sc4c3)C2)co1 257339582 ZCJVKLBPNQQJPH-CQSZACIVSA-N 398.488 3.782 0 40 GHAB CN(C)c1nc([C@@H]2CCCN2C(=O)c2cnc3ccccc3c2)cn2cccc12 257333686 YCPYWHWYOOCHBW-FQEVSTJZSA-N 385.471 3.926 0 40 GHAB COc1ccccc1-c1cc(C(=O)Nc2ccc(N3CC[C@@H](OC)C3)cc2)[nH]n1 96122310 QIGTUIURUUOCDK-QGZVFWFLSA-N 392.459 3.563 0 40 GHAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(Oc2cnccn2)cc1 46723505 JENPSXBEFOCIJS-UHFFFAOYSA-N 393.428 3.952 0 40 GHAB C[C@H]1CN(C(=O)c2oc3ccccc3c2CSc2ncccn2)C[C@@H](C)O1 58418144 PIIFSMLJIYWMPL-OKILXGFUSA-N 383.473 3.765 0 40 GHAB COCCOc1cc(-n2nnnc2-c2cccc(OC)c2)c(Cl)cc1Cl 5355884 BRWJRAKCBBHPHO-UHFFFAOYSA-N 395.246 3.670 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 12772793 DIQGLBXISJTZFZ-IBGZPJMESA-N 393.531 3.659 0 40 GHAB O=C(NC1CCCC1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583432 UGHASTNOZMSQIR-UHFFFAOYSA-N 384.501 3.501 0 40 GHAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)Nc1nccs1 13629437 IBNYJSQTJUPQOZ-UHFFFAOYSA-N 390.848 3.799 0 40 GHAB CC[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713264 UYQMQZNFJSXWBJ-SFHVURJKSA-N 394.924 3.509 0 40 GHAB O=C(Cc1csc(-c2ccccc2)n1)NCc1ccc(N2CCCC2=O)cc1 15614571 JEGXDIOLBXWWPE-UHFFFAOYSA-N 391.496 3.796 0 40 GHAB O=C(CSc1nnc(NC(=O)c2ccco2)s1)Nc1ccccc1Cl 15935333 QJWLCEHKJOPTCK-UHFFFAOYSA-N 394.865 3.768 0 40 GHAB COc1ccc(Cc2nnc(Nc3ccc(Br)cc3)nc2O)cc1 16777053 ODDLMARZZJAPPA-UHFFFAOYSA-N 387.237 3.683 0 40 GHAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CC1 19400536 UFDXKTKGIQUDIZ-LAUBAEHRSA-N 385.458 3.839 0 40 GHAB CCCC(=O)N1CCC[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)NCC)C1 19501215 PMSOVHHOECVDDQ-XMMPIXPASA-N 393.531 3.836 0 40 GHAB CCn1cc(-c2cc(C(=O)Nc3ccc4[nH]c(C(C)(C)C)nc4c3)no2)cn1 19665245 QEQSXMYRTCXHGO-UHFFFAOYSA-N 378.436 3.984 0 40 GHAB CCc1nc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4n3C)C2)sc1C 19715448 QJNFYCJYVQVEKW-OAHLLOKOSA-N 397.548 3.719 0 40 GHAB C=CCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@H](C)CC)C2=O)cc1 8326160 XLYAZCBAYVUAAM-TXPHNUEMSA-N 391.514 3.952 0 40 GHAB CCCSc1ncc(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)cn1 12188850 NVIOQLZSLBHJTG-FQEVSTJZSA-N 375.513 3.992 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O 19666947 QNDPJNKYRBJAMS-SFHVURJKSA-N 380.831 3.949 0 40 GHAB CN(CCOc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 31073942 IUGWUXSGDKMGFH-UHFFFAOYSA-N 378.252 3.832 0 40 GHAB O=C1CC2(CCN(Cc3ccccc3Cl)CC2)Nc2ccccc2CCN1 2037985376 HYIDXUFLMARQCC-UHFFFAOYSA-N 383.923 3.849 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1 2037841132 XJBSVKDNBHDKNK-HSZRJFAPSA-N 396.462 3.562 0 40 GHAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 100047780 XVNWHYCHGXRDLO-BZZMCLGOSA-N 385.341 3.665 0 40 GHAB O=C(COc1cccc2c1CCN(Cc1ccccc1)C2=O)Nc1ccccc1 2716339 YRIQCAAFOJTSEX-UHFFFAOYSA-N 386.451 3.903 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)c1 4326920 UBYVNACTXMKVNZ-UHFFFAOYSA-N 390.472 3.534 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCC3)c(C)c1 6808675 OFEVCGLNEHMYGW-UHFFFAOYSA-N 393.462 3.983 0 40 GHAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(C(F)(F)F)cc1 7455803 PUXGUBMWTTZNTM-UHFFFAOYSA-N 389.333 3.512 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NCC1CCN(c2ccccn2)CC1 43976186 YSALFSXSXMARLM-UHFFFAOYSA-N 394.302 3.800 0 40 GHAB Cc1cccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc3nncn3c2)c1 49408436 QMYBDPVCMFMOPX-UHFFFAOYSA-N 396.447 3.572 0 40 GHAB O=C([C@H]1CCCO1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 644979 WDHDVNAYHSVIOF-NVXWUHKLSA-N 389.249 3.899 0 40 GHAB COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(C)cc3C)[C@H](C)Nc3ncnn32)cc1 36701546 WPDARXISPCFSHX-CWFSZBLJSA-N 391.475 3.562 0 40 GHAB CN(c1ccccc1)c1ccccc1NC(=O)Cn1cnc2ccccc2c1=O 40114485 ISSPDBZVPZNWPR-UHFFFAOYSA-N 384.439 3.803 0 40 GHAB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccccc1O 40144854 BDUPFWNPOPMTMA-UHFFFAOYSA-N 390.365 3.790 0 40 GHAB COc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1ccc(Cl)cc1 807736 GXEOVRJANCPJDZ-PBHICJAKSA-N 379.865 3.716 0 40 GHAB O=S(=O)(c1ccc2ccccc2c1)N1c2cccc3cccc(c23)S1(=O)=O 851075 KEUVAYCUSUXJBF-UHFFFAOYSA-N 395.461 3.891 0 40 GHAB CC1=C(C)C[C@H]2C(=O)N(c3ccccc3I)C(=O)[C@@H]2C1 100596328 DAFDFPAFAHZQOZ-VXGBXAGGSA-N 381.213 3.527 0 40 GHAB CC(C)c1nnc(NC(=S)NC(=O)c2ccc(Br)cc2)s1 1087435 RLIPPWFDXHVCKG-UHFFFAOYSA-N 385.312 3.551 0 40 GHAB CCOC(=O)CCCSc1nc(N)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2416394 GQHVQZZBLUOWHB-SFHVURJKSA-N 395.550 3.950 0 40 GHAB C[C@H](Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1)C(=O)c1ccccc1 4545021 ITUYFYWRVXXPMH-PQSRSFJPSA-N 389.451 3.872 0 40 GHAB CCN(CC)C(=O)[C@@H](Sc1nncn1-c1ccccc1OC)c1ccccc1 6979902 PISXAQAXXIXBMM-IBGZPJMESA-N 396.516 3.978 0 40 GHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 7940016 XDCOEAMJZFDUCI-UHFFFAOYSA-N 394.349 3.545 0 40 GHAB Cc1noc(-c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCCO4)cc2)n1 32283267 DBNMCNWQGCZYGS-CYBMUJFWSA-N 379.416 3.697 0 40 GHAB CC[C@H](NC(=O)CN(C)CC(=O)Nc1c(C)cccc1C)c1ccc(C)cc1 8092638 FLLPUSORVQGCQI-FQEVSTJZSA-N 381.520 3.750 0 40 GHAB Cc1cc(C)c2nc(NC(=O)CNC(=O)c3ccc(F)cc3F)sc2c1 11807420 FGTRHHDLIWQRAB-UHFFFAOYSA-N 375.400 3.560 0 40 GHAB COc1ccccc1CCNC(=O)NCc1ccc(COCC(F)(F)F)cc1 9756887 PKXKBVTWLZBYEQ-UHFFFAOYSA-N 396.409 3.816 0 40 GHAB COc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 32929730 KZDMWASIRIFZQJ-OAHLLOKOSA-N 389.517 3.935 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2OC(C)C)NC(=S)N1 18093818 KVKMSSWLNSJDES-LJQANCHMSA-N 381.501 3.905 0 40 GHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCCc2c(C(N)=O)cccc21 52688523 XQZNJPQFYZLXIA-HNNXBMFYSA-N 391.471 3.504 0 40 GHAB CCNC(=O)COc1cccc(NC(=O)[C@H](C)Sc2ccccc2Cl)c1 52778298 DTYUCKHXKNEYJL-ZDUSSCGKSA-N 392.908 3.974 0 40 GHAB COc1ccc(NC(=O)c2cc(O)c(OCc3ccccc3)cn2)c(OC)c1 12168151 YTARZGUSWBTMDD-UHFFFAOYSA-N 380.400 3.636 0 40 GHAB CCn1c(S)nc2cc(C(=O)Nc3ccc(Cl)c(F)c3)ccc2c1=O 103469667 OWOYXCFCNBMSEZ-UHFFFAOYSA-N 377.828 3.750 0 40 GHAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2F)sc(C(C)=O)c1C 702513 RWTXPCURXWGNHC-NSHDSACASA-N 379.409 3.591 0 40 GHAB Cc1cc(OC(F)F)ccc1NC(=O)CSc1nnc(-c2ccco2)o1 2809286 XQCZRJKKQPCLPV-UHFFFAOYSA-N 381.360 3.970 0 40 GHAB O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1ccc2c(c1)OCO2 879582 OXYJBGTXAUPEIX-UHFFFAOYSA-N 392.459 3.503 0 40 GHAB COc1ccc(C(F)(F)F)cc1N/C=C\c1nnnn1-c1ccc(F)cc1 104859104 RTSISVNURPOGOH-HJWRWDBZSA-N 379.317 3.912 0 40 GHAB O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(F)cc2)CC1 12325128 XKICYFJATVSRIS-LJQANCHMSA-N 387.842 3.908 0 40 GHAB Cc1nn(Cc2ccc(C(=O)Nc3ccncc3)o2)c(C)c1Br 27980704 CWGVULFGVUDYKV-UHFFFAOYSA-N 375.226 3.551 0 40 GHAB O=C(N[C@@H](C(=O)NCC1(c2ccccc2)CCC1)c1ccccc1)c1ccco1 24775043 KGCGBIMBBOOCDC-OAQYLSRUSA-N 388.467 3.989 0 40 GHAB Cc1nc(NC2=NCN(Cc3ccccc3Cl)CN2)nc2c(C)cccc12 20634352 RKHJCIZGNZIUHY-UHFFFAOYSA-N 380.883 3.688 0 40 GHAB CN(CCOc1ccc(Br)cc1)CCC(=O)Nc1ccccc1F 24981817 ZWGZHQGWXIJTQH-UHFFFAOYSA-N 395.272 3.928 0 40 GHAB COC(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2F)ccc1Cl 55583008 YUXWKSHPQJEEHB-UHFFFAOYSA-N 378.208 3.720 0 40 GHAB C[C@H](NC(=O)COC(=O)/C=C/c1nc2ccccc2s1)[C@@H]1C[C@H]2CC[C@H]1C2 107444782 IUPOOASXKZMCBI-KQTCEAHXSA-N 384.501 3.794 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)NCc3coc(-c4cccs4)n3)CC2=O)cc1F 26359858 RIBHWGVKUXUKKO-CYBMUJFWSA-N 399.447 3.520 0 40 GHAB CCCOc1ccc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)cc1 27021943 QHAREKUWQHZRQJ-GIYAWHNBSA-N 395.509 3.719 0 40 GHAB O=C(Nc1cccc2[nH]ccc12)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 58168285 ZTMZGVAXKPUZPY-LBPRGKRZSA-N 398.260 3.922 0 40 GHAB COc1ccc2cc(CN(C)C(=O)CN(C[C@@H](C)O)c3ccccc3)ccc2c1 58180105 JNXFGWKUCWXKRX-GOSISDBHSA-N 392.499 3.694 0 40 GHAB Cc1nnc(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)n1C1CC1 7617970 CLLHWSRTPIFMHE-LLVKDONJSA-N 387.534 3.843 0 40 GHAB COc1ccc(-c2coc3cc(OCC(=O)OC(C)C)ccc3c2=O)cc1OC 2108339 BIGQYYXUKRUCFE-UHFFFAOYSA-N 398.411 3.808 0 40 GHAB biogenic COc1ccc(-c2noc(CCC(=O)NCC3(c4ccccc4)CCC3)n2)cc1 10373236 GNFLDKYQSGHTDU-UHFFFAOYSA-N 391.471 3.916 0 40 GHAB Cc1nccn1-c1ccc(CNc2ccc(S(=O)(=O)C(F)F)cc2)cc1F 58413452 OUGNVVLCNBYHOF-UHFFFAOYSA-N 395.406 3.928 0 40 GHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cccnc2SC)CC1 12743772 VUKWGAALDACWLF-UHFFFAOYSA-N 390.940 3.851 0 40 GHAB O=C(CSc1nnnn1C1CCCC1)Nc1ccc2c3c(cccc13)CC2 12790015 GWOBIRNVUGRWON-UHFFFAOYSA-N 379.489 3.771 0 40 GHAB COC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1ccc(F)cc1F 16064233 DEXGTFDHXWPHJA-KRWDZBQOSA-N 392.427 3.782 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(Cn2cccn2)cc1 12852893 GIKGSDXFNUEUBP-UHFFFAOYSA-N 390.270 3.933 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccccc2OCc2ccc(F)cc2)no1 12948904 XSKCBJVXURICOU-CQSZACIVSA-N 398.390 3.885 0 40 GHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)OCc3cnn(C)c3)cc12 48657607 KXBONWJYJLXOSV-UHFFFAOYSA-N 384.436 3.684 0 40 GHAB O=C(NC1CCN(CN2C(=O)c3cccc4cccc2c34)CC1)c1ccccc1 13000088 CRLSCOVJZTYUEV-UHFFFAOYSA-N 385.467 3.652 0 40 GHAB CCOc1ccc([C@H](C)NC(=S)NCCCCCC(=O)OC)cc1OCC 6085531 QYQILKJFHJECRT-HNNXBMFYSA-N 396.553 3.743 0 40 GHAB O=C(Cn1c(CO)nc2ccccc21)N(CCc1ccccc1)Cc1ccccc1 5186270 FTNCZFNAAWOIPB-UHFFFAOYSA-N 399.494 3.800 0 40 GHAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(Br)s1 8179868 PAACDYHITPTGEN-POHAHGRESA-N 378.203 3.584 0 40 GHAB CC(=O)c1cc(C(=O)c2cc(F)ccc2O)cn(-c2ccc(C)cc2C)c1=O 14185525 ZZFKNIANUOMPCY-UHFFFAOYSA-N 379.387 3.733 0 40 GHAB CCSc1nnc(S[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)s1 5450506 UWNOAGFYWQRWCT-VIFPVBQESA-N 385.536 3.745 0 40 GHAB CCCn1c2c(c(O)c(C(=O)Nc3cc(Cl)ccc3OC)c1=O)CCCC2 5444280 LDNWXOHEXPEZCL-UHFFFAOYSA-N 390.867 3.757 0 40 GHAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl 6561277 RNEHCTBCLFWNKS-UHFFFAOYSA-N 387.288 3.852 0 40 GHAB COc1ccccc1CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 6588017 RZMHRNRMRJDHGP-UHFFFAOYSA-N 392.421 3.995 0 40 GHAB O=C(Nc1ccc(F)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2)CC1 6650671 QWGODRODKJIYDK-UHFFFAOYSA-N 396.871 3.519 0 40 GHAB COc1ccc(C2(C(=O)NCCc3c[nH]c4ccccc34)CCOCC2)cc1 16985486 VUUYASNDNAAXGR-UHFFFAOYSA-N 378.472 3.584 0 40 GHAB biogenic COc1cccc(CNC(=O)CCc2c(C)c3ccc(OC)c(C)c3oc2=O)c1 4743520 HTBMFLGPWVHWRL-UHFFFAOYSA-N 395.455 3.676 0 40 GHAB biogenic CCCOc1ccccc1OCC(=O)O[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 5769199 NVWAITNASNXOGV-INIZCTEOSA-N 399.443 3.627 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2CCC[C@H](C)C2)cc1 6915731 GPXZAKCKESNTAR-KRWDZBQOSA-N 379.456 3.641 0 40 GHAB COc1ccc(C)cc1[C@@H](C)NCc1ccccc1OCC(=O)N1CCCC1 15184988 KIHXYDXXXKXYST-GOSISDBHSA-N 382.504 3.856 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1 15363733 YKOSDSZFIXRNJJ-UHFFFAOYSA-N 397.855 3.619 0 40 GHAB COc1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1Cl 8650155 UKATVBWORVRQED-UHFFFAOYSA-N 386.835 3.944 0 40 GHAB CC(C)OC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccccc1 8748622 LWWMPBOTKWCYKW-INIZCTEOSA-N 393.464 3.908 0 40 GHAB CC(C)(C)C(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2Cl)CC1 8982902 OOYOCEVFSAADNL-UHFFFAOYSA-N 385.335 3.937 0 40 GHAB CCOc1ccccc1-c1nnc(SCc2nc3c(C)cccc3c(=O)[nH]2)o1 19355059 HEEPIVSRPARDFD-UHFFFAOYSA-N 394.456 3.973 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(=O)O 9054169 BOBGXNFJZLYCIE-WBMJQRKESA-N 375.494 3.685 0 40 GHAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CCCCC2 71286249 WQGBNEFINQMKDO-PXNSSMCTSA-N 384.520 3.586 0 40 GHAB CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1cc(F)ccc1Cl 71769070 UWKBOABILIAOSV-UHFFFAOYSA-N 391.805 3.624 0 40 GHAB O=C(CC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCC1 71955141 YAUHDTXIXWXNEX-UHFFFAOYSA-N 375.822 3.983 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 22329457 BVPHISCOETVKRL-GOSISDBHSA-N 388.533 3.564 0 40 GHAB O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cccn(Cc2ccccc2)c1=O 84544762 UGMKANYGMNUGFR-HSZRJFAPSA-N 398.462 3.513 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(Cc1cccnc1)c1ccc(F)cc1 84678347 UOYVESLVOFNGNC-BTYIYWSLSA-N 378.403 3.982 0 40 GHAB COCCOCCSc1nnc(-c2cccc(OC)c2)n1-c1ccccc1 95409081 NKMMEVYUZOKNGV-UHFFFAOYSA-N 385.489 3.698 0 40 GHAB CS(=O)(=O)Cc1ccc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)o1 95434595 RUIIWGNNITUIQZ-GOSISDBHSA-N 389.517 3.842 0 40 GHAB CCOc1ccc2cc(C(=O)N3CCN(C(=O)c4ccc(C)s4)CC3)[nH]c2c1 84810952 BEKOAAWZPVIEJU-UHFFFAOYSA-N 397.500 3.535 0 40 GHAB Cc1cccc(NC(=O)CN(C)c2ccc(C(=O)N3CCC[C@@H](C)C3)cn2)c1C 95958751 FAQZFSSBMWXPRI-MRXNPFEDSA-N 394.519 3.645 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)NCc3ccc(OCC)cc3)CC2=O)cc1 408706715 COXGTHZHNSEPND-GOSISDBHSA-N 396.487 3.543 0 40 GHAB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc(Br)cc2)cc1 60138722 HODDGLPBDXVSNY-CQSZACIVSA-N 378.266 3.720 0 40 GHAB O=C(NC(=S)Nc1ccc2nc(O)[nH]c2c1)c1ccc(Cl)c(Cl)c1 408626790 IGLJVNZGPCPKNB-UHFFFAOYSA-N 381.244 3.702 0 40 GHAB COc1ccc(CCNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 35315117 JKLOGWAEXNAPBQ-UHFFFAOYSA-N 395.528 3.880 0 40 GHAB O=C(COC(=O)c1ccc(Br)o1)Nc1cc(F)ccc1Cl 72333862 PHXPQZJUJWZNCW-UHFFFAOYSA-N 376.565 3.630 0 40 GHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc(O)c2)n2ncnc2N1 39427829 BSBJCCFPYXJKAU-QGZVFWFLSA-N 381.823 3.565 0 40 GHAB Cc1nc(N)c2ccc([C@H]3CCCCN3C(=O)CCc3ccccc3)nc2n1 72377333 ZJTGVLWIJPHDKD-LJQANCHMSA-N 375.476 3.602 0 40 GHAB CCOc1ccccc1C(=O)N1[C@H](C(=O)O)COC12CCC(C(C)(C)C)CC2 71980550 FAHFHMBZYKURDA-YSJWXEPDSA-N 389.492 3.944 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@H]2CCCCN2C(=O)c2nccn2C)n1 72384414 GYQGBRQBTHIKLK-QGZVFWFLSA-N 377.448 3.678 0 40 GHAB CCn1c(=O)sc2cc(NS(=O)(=O)c3c(C)cc(OC)cc3C)ccc21 225125628 LSZPFXPADYKKOA-UHFFFAOYSA-N 392.502 3.509 0 40 GHAB CCOc1ccccc1OCCCC(=O)NC1(c2noc(C)n2)CCCCC1 40030602 KPOKFDVDBRSRBF-UHFFFAOYSA-N 387.480 3.912 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220470581 QAAGSVCDYRGCLG-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB COc1cc(NC(=O)NCc2ccc(-c3ccco3)nc2)cc(OC)c1OC 225752895 FKZXHTSOSYTHAP-UHFFFAOYSA-N 383.404 3.689 0 40 GHAB C[C@@H]1CCCN(c2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cn2)C1 224045887 RYMUULZNKHIZND-CQSZACIVSA-N 384.505 3.533 0 40 GHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccccc1OC 225140558 GRDWTUVEVGMLCF-FQEVSTJZSA-N 383.488 3.927 0 40 GHAB CN(C)c1nc2ccccc2cc1[C@@H]1CC(=O)Oc2ccc3nsnc3c21 96223798 OERFDGXSMHGEKA-LBPRGKRZSA-N 376.441 3.747 0 40 GHAB CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N[C@@H]3Cc2ccccc2)[nH]n1 257225270 FFNZFEFEDISNSU-UOWZYWDASA-N 392.547 3.890 0 40 GHAB O=C(c1cccc(Cn2cncn2)c1)N1CC2(CCCC2)c2c(F)cccc21 624979276 LEBMCMKGKBBSJB-UHFFFAOYSA-N 376.435 3.938 0 40 GHAB CN(C)c1cc(F)cc(NC(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)c1 626598774 HYYDGRNFMREELM-UHFFFAOYSA-N 395.482 3.723 0 40 GHAB Cc1[nH]nc(C(F)(F)F)c1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 673739349 VRTQZBQVDUBECG-UHFFFAOYSA-N 382.317 3.504 0 40 GHAB COc1cccc([C@H]2C[C@@H](C)CN2C(=O)CCc2nc(O)c3ccccc3n2)c1 680196960 PMBMVWGYVHUUAS-FOIQADDNSA-N 391.471 3.886 0 40 GHAB CCc1ncnc(O[C@@H]2CCN(C(=O)Nc3cc(Cl)ccc3OC)C2)c1F 575608157 WXHJLIGMFNFOQB-GFCCVEGCSA-N 394.834 3.525 0 40 GHAB O=C(O)c1cnc(N2CCc3ccccc3C2)nc1Cc1ccc(Cl)cc1 585266025 ZMECPDRCFKHKKL-UHFFFAOYSA-N 379.847 3.982 0 40 GHAB COc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc1ccccc1 585139053 HCSFGMHLGGSQEE-MOPGFXCFSA-N 380.488 3.799 0 40 GHAB CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)c4cccs4)CC3)n2)cc1 65111519 HSJZYTAETPKKLF-UHFFFAOYSA-N 396.472 3.776 0 40 GHAB COc1ccc(CCN[C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OC 95996199 DSPCLZPFGAYNKN-RDJZCZTQSA-N 378.513 3.624 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3c(F)cccc3F)C2)CN1c1ccc(F)cc1 1615130890 RHKMNPHQDFDPOU-OAQYLSRUSA-N 390.405 3.502 0 40 GHAB Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H](O)c1cccc2ccccc12 1664980272 JMPBFEXXEJYZOY-GOSISDBHSA-N 375.877 3.814 0 40 GHAB CC(C)=CCC[C@]1(C)Oc2cc3c(c4c2[C@@H]2[C@H](O4)[C@@](C)(O)CC[C@@H]21)CNC3=O 1772591739 NBNPXTAXSQRYAH-SSFSHXQQSA-N 383.488 3.833 0 40 GHAB Cc1cc2occ(CC(=O)N[C@@H](C)c3nc(-c4cccnc4)n[nH]3)c2cc1C 12191804 WJNRCZHVMYABSN-AWEZNQCLSA-N 375.432 3.650 0 40 GHAB COc1cc(CN2CCCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)cc(OC)c1 12337790 AWLZJVCASGOTKG-FQEVSTJZSA-N 396.491 3.796 0 40 GHAB CCOc1cc([C@@H]2NC(=O)c3ccccc3N2)cc(Br)c1OC 12608558 ZPZZDXQCAKWHGP-INIZCTEOSA-N 377.238 3.711 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2)c1 13096285 JYHKRBVDJSLADI-UHFFFAOYSA-N 387.288 3.932 0 40 GHAB CC1=NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2N1CC(C)C 15867697 BHWZTGHYSFYALO-UHFFFAOYSA-N 389.452 3.661 0 40 GHAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2F)on1 19120844 DRNABMXLGJONRZ-KRWDZBQOSA-N 386.402 3.948 0 40 GHAB c1ccc(Nc2nc(N3CCCC3)nc3c2CN(Cc2cccnc2)CC3)cc1 19373016 DFQJCTBXMQXJIY-UHFFFAOYSA-N 386.503 3.774 0 40 GHAB Cc1onc(C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)c1CN1CCCCCC1 19579534 LTQXITAEXKBACB-QGZVFWFLSA-N 390.572 3.599 0 40 GHAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccccc1OC)C3 19816468 PCQRAJVLRSOLDX-ZDUSSCGKSA-N 382.489 3.938 0 40 GHAB CCc1c(C)noc1-c1cnc(NCc2ccccn2)nc1-c1cnc(C)cn1 12088815 NLDZSYPMSSPBDF-UHFFFAOYSA-N 387.447 3.775 0 40 GHAB O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 19718890 XSBSDJAOEHTGLJ-CQSZACIVSA-N 380.835 3.517 0 40 GHAB O=C(C(Cl)=C(Cl)Cl)N1CCN(c2ncccc2C(F)(F)F)CC1 33376786 FYFDFCFKRSVBFW-UHFFFAOYSA-N 388.604 3.635 0 40 GHAB CCOc1ccc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c2c1 12482837 FLWZRGDEUDWSRN-UHFFFAOYSA-N 387.461 3.710 0 40 GHAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccc2c(c1)OCO2 5136213 LJAHPFGFFVRMEO-UHFFFAOYSA-N 390.395 3.854 0 40 GHAB CCOc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 5797126 QVWVMZYEWPWROV-UHFFFAOYSA-N 392.463 3.594 0 40 GHAB CSc1ccc(-c2noc(Cn3nc(-c4ccccc4F)ccc3=O)n2)cc1 23126822 WJOMJRVBIGRNDL-UHFFFAOYSA-N 394.431 3.870 0 40 GHAB Cc1cc(O[C@H]2CCCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)nc(C)n1 575607371 BVKFRDYJEWZWIA-IBGZPJMESA-N 394.450 3.911 0 40 GHAB O=C(NC[C@H](c1ccco1)n1cccn1)c1cc(Br)ccc1Cl 575614236 QCJJGQZKYYKNOO-CQSZACIVSA-N 394.656 3.911 0 40 GHAB Cc1nc(SCC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)oc1C 12087864 KNUGNTKEPPALFL-UHFFFAOYSA-N 396.516 3.920 0 40 GHAB Cc1c(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)oc2ccccc12 19566173 DSBFZLMMKWXSEQ-SFHVURJKSA-N 376.460 3.544 0 40 GHAB C[C@H](NC(=O)c1cn(-c2ccccc2Br)nn1)c1ccccc1F 40073684 XISICUFXNUJPMW-NSHDSACASA-N 389.228 3.660 0 40 GHAB COc1ccc(NC(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1 938143 LTVMMOOEXXXNFO-UHFFFAOYSA-N 390.226 3.800 0 40 GHAB O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 1087792 RGRPJKXCSITBGA-CQSZACIVSA-N 377.271 3.705 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 1336817 DWNKEHHXADQGEW-UHFFFAOYSA-N 377.893 3.932 0 40 GHAB CCCOc1ccc(-c2nc3s/c(=C\c4ccccc4Cl)c(=O)n3n2)cc1 2263356 TVZVHEBSFSKKNQ-ATVHPVEESA-N 397.887 3.808 0 40 GHAB COc1ccc2cnnc(SCC(=O)Nc3ccc(C(C)=O)cc3)c2c1OC 2406768 YJOBCKCVKSWCSB-UHFFFAOYSA-N 397.456 3.580 0 40 GHAB CCn1c(SCC(=O)c2ccc(OC)cc2OC)nnc1-c1ccccc1 2648072 CGSUTKQHAVVOGE-UHFFFAOYSA-N 383.473 3.957 0 40 GHAB O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ccccc2O)CC1 3333448 DOYAGOOGXKSPRM-UHFFFAOYSA-N 388.467 3.934 0 40 GHAB COc1cc(CN(C)C(=O)COc2ccc(C(C)=O)cc2)ccc1OC(F)F 3344902 MXVKMVPOGVBRAS-UHFFFAOYSA-N 393.386 3.537 0 40 GHAB CCOc1ccc(-n2c(S[C@@H]3CCOC3=O)nnc2-c2ccccc2)cc1 3400044 ZESXNYJQJNCKJZ-QGZVFWFLSA-N 381.457 3.741 0 40 GHAB CCOC(=O)[C@@H](C(C)=O)[C@H](C)[C@@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3846305 PFRRINIMSRUQHA-MNKYNPLUSA-N 396.524 3.600 0 40 GHAB CCc1oc2cc(O[C@@H](C)C(=O)O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 4023501 RTSZZDYBFBYOIY-LBPRGKRZSA-N 396.395 3.646 0 40 GHAB biogenic COc1ccccc1-n1c(SCC(=O)N2CCCCC2)nc2cccnc21 4092860 CFDNQMVOAFTTOZ-UHFFFAOYSA-N 382.489 3.534 0 40 GHAB O=C(COc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1)c1ccc(F)cc1 4145795 XSVNMJMGBSKCFP-YQMDMEMYSA-N 393.414 3.623 0 40 GHAB CCc1nnc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)s1 4976383 RWFNPDHKJQEDKE-UHFFFAOYSA-N 391.547 3.715 0 40 GHAB O=C(c1cccc(Cl)c1)n1nc(-c2cccnc2)nc1NCc1ccco1 5002119 GNUKDJRYBKVZGE-UHFFFAOYSA-N 379.807 3.887 0 40 GHAB C[C@@H]1CCN(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c2ccccc2S1 5253484 FDDCHFKNGJCSFG-CYBMUJFWSA-N 399.903 3.967 0 40 GHAB CC(=O)c1ccc(NC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)cc1 5399756 JKRWIVPTOGLISK-UHFFFAOYSA-N 397.434 3.905 0 40 GHAB Cc1cc(F)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 5617677 MXSQZMACLRATTF-UHFFFAOYSA-N 396.871 3.824 0 40 GHAB CC(C)CCNC(=O)C(=Cc1ccc(OC(F)F)cc1)C(=O)NCCC(C)C 5851167 RYYWPEZEJUAMOS-UHFFFAOYSA-N 396.478 3.996 0 40 GHAB COc1ccc(CCNC(=S)Nc2ccccc2Br)cc1OC 5880332 HMOASWQRLHGZLM-UHFFFAOYSA-N 395.322 3.995 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1OC 5980799 HXLIFFVQHYJHAN-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)CCC(=O)c1ccc(F)cc1 6077058 BRPOHPGDFQIPIX-UHFFFAOYSA-N 385.435 3.769 0 40 GHAB NC(=O)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1Cl 6392535 RXXYRPODHVQRGR-SOFGYWHQSA-N 394.283 3.619 0 40 GHAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 6433652 YKQNCZFERMGBRT-INIZCTEOSA-N 380.872 3.969 0 40 GHAB COc1ccc(O)c(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)c1 6551989 MJZGHYYIYOAKGX-UHFFFAOYSA-N 393.395 3.989 0 40 GHAB CCCN1C(=O)S/C(=C/c2cc(Br)c(OC)cc2OC)C1=O 6655979 JPNGNBZQOREYJV-NTUHNPAUSA-N 386.267 3.913 0 40 GHAB COCc1cc(C)nc2sc(C(=O)Nc3ccc4[nH]c(C)nc4c3)c(N)c12 6659187 SDLDWVDLONSWIR-UHFFFAOYSA-N 381.461 3.770 0 40 GHAB COc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)SC2)cc1 6786180 MQDVTXABMFOTPZ-UHFFFAOYSA-N 388.456 3.702 0 40 GHAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)c1 6891120 LWUOLKGJDBEFBB-UHFFFAOYSA-N 392.864 3.954 0 40 GHAB Cc1ccc2nc(CSCC(=O)Nc3ccc(C)c(Cl)c3)cc(=O)n2c1 7145803 PEPCIGCZMDIACC-UHFFFAOYSA-N 387.892 3.837 0 40 GHAB Cc1cccc(C)c1NC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl 7304479 DNSGXSYIMNJCSA-UHFFFAOYSA-N 387.288 3.527 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1N1CCCC1 7987811 AOSKEQULRFBJDE-UHFFFAOYSA-N 398.898 3.566 0 40 GHAB CSc1nc(COC(=O)c2cc3c(s2)-c2ccccc2CC3)cc(=O)[nH]1 8135391 AIVAZQKULYIKBW-UHFFFAOYSA-N 384.482 3.676 0 40 GHAB O=S1(=O)CC[C@@H](Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)C1 8313943 HZZKHFNOAOBGGQ-GFCCVEGCSA-N 379.894 3.611 0 40 GHAB CCC[C@H](OC(=O)CCCC(=O)Nc1nnc(C)s1)C(=O)c1ccccc1 8474302 VIAHLAIRYDVKLC-HNNXBMFYSA-N 389.477 3.550 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cc(C)ccc2C)n1 8476725 HADLVSXTTAOHKT-UHFFFAOYSA-N 398.894 3.971 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)COc1ccc(F)cc1Cl)c1cccc(F)c1 9115060 MCQJQCFNJOWUTP-SFHVURJKSA-N 391.805 3.636 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 9551685 OWPOAAPAPGKJNO-CQSZACIVSA-N 393.443 3.927 0 40 GHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H](C)c1ccccc1 9646553 MOHRRKMUFYNSCJ-LBPRGKRZSA-N 375.471 3.727 0 40 GHAB C[C@H](NC(=O)CCCSc1ccc(NC(=O)C2CC2)nn1)c1ccccc1 11793943 KQQMFMZTRNYZDK-AWEZNQCLSA-N 384.505 3.575 0 40 GHAB CCc1ccc2c(COC(=O)/C=C/c3c(C)nn(C)c3Cl)cc(=O)oc2c1 11980783 SZORSHCQBBVRLL-BQYQJAHWSA-N 386.835 3.807 0 40 GHAB Cc1cc(N2CCCC2)ccc1-c1nc2cnccn2c1NC[C@H]1CCCO1 12113912 KPYCQVBBKASPRS-GOSISDBHSA-N 377.492 3.896 0 40 GHAB Cn1ccnc1[C@H](NC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)c1ccccc1 12506857 LZYZYYHEGTXMQK-IHHMQQGQSA-N 395.846 3.721 0 40 GHAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCC2)cc1 12526283 DBFMRLIBUFHZPX-UHFFFAOYSA-N 386.517 3.939 0 40 GHAB Cc1c(NC(=O)c2csc(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C 12850904 PTOXSTCVSJVLPH-UHFFFAOYSA-N 390.468 3.860 0 40 GHAB COc1ccc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1Cl 12868372 CCJMTSZMIBHKRD-UHFFFAOYSA-N 380.882 3.970 0 40 GHAB Cc1cc(C(=O)Cn2cnc3ccsc3c2=O)c(C)n1Cc1cccs1 12873190 CZVFPAOUCDWJOQ-UHFFFAOYSA-N 383.498 3.869 0 40 GHAB Cc1cc(=O)c(C(=O)N2C[C@@H](C)C[C@H](C)C2)nn1-c1ccccc1C(F)(F)F 13003044 UUULOSXVHDLJPF-STQMWFEESA-N 393.409 3.678 0 40 GHAB O=c1/c(=C/c2c(F)cccc2Cl)sc2nnc(-c3ccc(Cl)cc3)n12 13547088 JLDUUKSNBVPLEN-ZSOIEALJSA-N 392.242 3.812 0 40 GHAB CC(C)NC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1 13683589 KNLGFBCLQWRJLZ-UHFFFAOYSA-N 391.265 3.605 0 40 GHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)CC(C)(C)C)c2cccs2)cc1 15780742 KYPBHIBMOLDTEJ-KRWDZBQOSA-N 395.546 3.824 0 40 GHAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1NC(C)=O 16130587 OQEBOXHALDOANL-UHFFFAOYSA-N 376.478 3.886 0 40 GHAB O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccc(N2CCCC2=O)cc1 16514473 KRQLAHBLDLDBMA-UHFFFAOYSA-N 388.467 3.907 0 40 GHAB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@H](C)c3cccnc3)cc2)cc1 16732878 QQDJZOYWTMYGKQ-OAHLLOKOSA-N 395.484 3.747 0 40 GHAB COc1ccc(C(=O)Nc2nc(CC(=O)N3CCc4ccccc43)cs2)cc1 16953411 UJTKDIISVLCXMJ-UHFFFAOYSA-N 393.468 3.536 0 40 GHAB O[C@@H](COc1cccc2ccccc12)CN1CCN(c2ccccc2F)CC1 17201202 LJOBLRRPOCHELF-LJQANCHMSA-N 380.463 3.541 0 40 GHAB COc1cccc(CN2CCC[C@@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)c1 19565100 COAYCCVUFLGWGO-CQSZACIVSA-N 391.397 3.531 0 40 GHAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(Cc4cnn(C)c4)C3)noc2n1 19568958 LXEPWOWPXYSRGN-ZDUSSCGKSA-N 379.386 3.663 0 40 GHAB COc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1[N+](=O)[O-] 19683093 JNGKCSZCWRCROX-UHFFFAOYSA-N 394.792 3.573 0 40 GHAB O=C(Nc1cccc(-n2cccn2)c1)c1cnn2c(-c3ccccc3)ccnc12 19717350 ZFNCBZZLQALJMD-UHFFFAOYSA-N 380.411 3.834 0 40 GHAB CC[C@H](NC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 20108561 LXQAPKXSSIZWRA-RBUKOAKNSA-N 392.496 3.638 0 40 GHAB COc1ccc(-n2nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3n2)cc1 20610034 STQMZEQCVHYDHZ-UHFFFAOYSA-N 394.456 3.538 0 40 GHAB CSc1ncc(C(=O)O[C@H](C)C(=O)N(C(C)C)C(C)C)n1-c1ccccc1 21605326 NHDDJGWWBQNRDI-OAHLLOKOSA-N 389.521 3.785 0 40 GHAB NC(=O)c1ccc(C(F)(F)F)n(Cc2sc3ccccc3c2Cl)c1=O 21925359 NCGBANNHHGPGIA-UHFFFAOYSA-N 386.782 3.882 0 40 GHAB CN1CCN(Cc2ccccc2C(=O)c2ccc(Br)cc2F)CC1 22028230 BXBKUZOKOJPCNS-UHFFFAOYSA-N 391.284 3.567 0 40 GHAB O=C1COc2ccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2N1 22384661 KXZIEJIUHYSZKL-UHFFFAOYSA-N 393.424 3.584 0 40 GHAB O=C(c1cccs1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 23314923 GWUTZCHLHLIOHQ-UHFFFAOYSA-N 383.429 3.547 0 40 GHAB O=C(Cc1cn2ccsc2n1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 23388956 NFMAEUAICUIABH-HXUWFJFHSA-N 387.468 3.720 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)c2c(c1)OCCCO2 23789608 VOQNHQPOBNMGRM-UHFFFAOYSA-N 389.835 3.545 0 40 GHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccccc2OC(C)C)nn1 32092394 QHKALXLHTLNWPH-OAHLLOKOSA-N 393.447 3.890 0 40 GHAB O=C(c1cc(=O)c2cc(Br)ccc2o1)N1CCOc2ccccc21 32624470 SLZNRLHQZQOPLC-UHFFFAOYSA-N 386.201 3.595 0 40 GHAB COc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 32790187 WCPSZYZQPDBSQQ-FOWTUZBSSA-N 392.415 3.749 0 40 GHAB NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccccc2-c2ccccc2)c1 32803712 FRWZYJOBNVEGID-UHFFFAOYSA-N 386.860 3.907 0 40 GHAB C[C@@H](C(=O)NCC1CCCCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 35714474 GFLBUNRRHGMIAN-JTQLQIEISA-N 383.275 3.674 0 40 GHAB COc1c(Br)cc(Br)cc1CNc1cnn(C)c1 37259786 WCPZPFIVJDQWBZ-UHFFFAOYSA-N 375.064 3.566 0 40 GHAB CC[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)c1ccc(C)cc1 40098461 FNPDROYTWLEQRO-SFHVURJKSA-N 389.521 3.827 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc(F)cc(Br)c1 40131181 VYESYOVJQISTPX-UHFFFAOYSA-N 386.242 3.552 0 40 GHAB Cc1cccc(C)c1NC(=O)CCCN(C)S(=O)(=O)c1ccc(Cl)cc1 40142990 JHYIHWWDGKPVMN-UHFFFAOYSA-N 394.924 3.996 0 40 GHAB O=C(c1cc(Cl)ccc1Cl)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 40386186 NYLMOTMGPJFQRU-INIZCTEOSA-N 389.238 3.785 0 40 GHAB CCOC(=O)c1ccc(NC(=O)N(CC)Cc2cc(=O)[nH]c3ccccc23)cc1 41076979 PZLROBQBGPIIJX-UHFFFAOYSA-N 393.443 3.759 0 40 GHAB CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 48257176 JSFBSZKXVLGGLI-LJQANCHMSA-N 380.492 3.740 0 40 GHAB CCN(Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C)C(C)=O 48355381 NWEFPDGDUAWMCK-UHFFFAOYSA-N 380.897 3.818 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1-c1ccc(C)cc1 53896590 LAQMVBBVKYQXRE-UHFFFAOYSA-N 387.443 3.936 0 40 GHAB CCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1 57488123 WNTVFMIUCQMQLU-UHFFFAOYSA-N 393.921 3.719 0 40 GHAB CCOc1cc(C(=O)Nc2ccccc2OCCn2ccnc2)ccc1OC 58152101 WGVRVIMKPFGXLW-UHFFFAOYSA-N 381.432 3.622 0 40 GHAB O=c1cc(CN2CCC[C@H]2c2cccs2)nc2ccc(Br)cn12 58169907 DPIHSKRDLATMBA-AWEZNQCLSA-N 390.306 3.856 0 40 GHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)Cc3nccn3C)cc12 61071742 SPBVYZMBZSPGMK-UHFFFAOYSA-N 397.479 3.599 0 40 GHAB COc1ccc(-c2noc(Cc3nnc(-c4cccc(C)c4)o3)n2)cc1OC 65185520 FNSCTUAUKGDIEG-UHFFFAOYSA-N 378.388 3.703 0 40 GHAB CCSc1nnc(NC(=O)CCc2csc3nc(C4CC4)cn23)s1 70655575 QQZZFZYCFQUVHB-UHFFFAOYSA-N 379.536 3.808 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCCC3)nc2C)cc1 72218929 BVWDZCWAKMVWIS-HXUWFJFHSA-N 385.533 3.824 0 40 GHAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3cccnc3)C2)cc1 72345957 YUXJZTQNZYHRKH-SFHVURJKSA-N 375.476 3.509 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)NCC(=O)N1CCCc2ccccc21 83862019 ADAUDQYBRVBNSJ-UHFFFAOYSA-N 389.858 3.600 0 40 GHAB Cc1nn(C)c(C)c1[C@@H](NCC(=O)Nc1cccc(Cl)c1C)C(F)(F)F 89537168 HNQAUTLKISAPIU-MRXNPFEDSA-N 388.821 3.830 0 40 GHAB Cc1ncsc1C(=O)Nc1ccccc1[C@@H](C)NC(=O)c1scnc1C 95451275 MXKLGLJEJPHXMF-SNVBAGLBSA-N 386.502 3.960 0 40 GHAB O=C(N[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1ccncc1 96079844 BTNADECEIFQYQT-HXUWFJFHSA-N 377.488 3.580 0 40 GHAB COc1cc(NC(=O)Nc2ccc(N3CCC[C@H](OC)C3)cc2)cc(OC)c1 96122504 SJSDYZRGRCRIIW-SFHVURJKSA-N 385.464 3.963 0 40 GHAB CCCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccccn4)o3)CC2)no1 100155976 RLEIJBGMRQUAQX-GASCZTMLSA-N 395.463 3.776 0 40 GHAB COc1ccc(Oc2ccc(NC(=O)[C@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)cc1 100646747 WYPWQSBEZYAKAI-VVEMMYRFSA-N 379.412 3.624 0 40 GHAB O=C1C[C@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1ccc(F)c(Cl)c1 101449042 CUSMTWNNLLMQSI-IBGZPJMESA-N 397.837 3.651 0 40 GHAB Cc1ccccc1Cn1nc(C)c(NC(=S)NC2C[C@H]3CC[C@H](C2)N3C)c1C 102012613 HLKNZVDOOBQPTC-WOJBJXKFSA-N 397.592 3.768 0 40 GHAB CCOC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc(Cl)cc1 113881726 YOHQBRPKIYDCJM-UHFFFAOYSA-N 381.881 3.715 0 40 GHAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F 222777894 HPIGTDMWKDHJTJ-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 222976543 OBXCOKHFBVWRMW-OAHLLOKOSA-N 388.895 3.792 0 40 GHAB COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 223642087 IWDVOGFNRVVPBD-UHFFFAOYSA-N 383.853 3.715 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1 224094370 MOQVBNQAMJYHQM-FQEVSTJZSA-N 384.545 3.863 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224617999 XJDMRQRFYSDSOM-HXUWFJFHSA-N 386.923 3.869 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1cccc(C)c1C 224629695 LTMZCIZJFATJEO-OAQYLSRUSA-N 396.531 3.668 0 40 GHAB COc1ccccc1CCCNC(=O)c1cccc(I)c1 224964302 PFAMBOZUDIZHEW-UHFFFAOYSA-N 395.240 3.662 0 40 GHAB COc1ccc(Cl)cc1NC(=S)NC1CCN(Cc2ccccn2)CC1 225232369 LULFJACXYQJVJA-UHFFFAOYSA-N 390.940 3.695 0 40 GHAB CCOC(=O)c1cc(NC(=S)NCCCN2CCCCC2)ccc1Cl 225410870 BPMNHGGNRGBRQW-UHFFFAOYSA-N 383.945 3.679 0 40 GHAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 225452095 WAULUEAWEWHWGT-NRFANRHFSA-N 384.495 3.744 0 40 GHAB Cc1ccc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1C 225692561 XVHYZMKWYTVPFY-FQEVSTJZSA-N 380.532 3.830 0 40 GHAB C[C@H]1CN(C)CC[C@H]1CCc1ccc(NC(=O)c2cnn3cccnc23)cc1 248126641 LXRSIIATOJFJAP-FUHWJXTLSA-N 377.492 3.502 0 40 GHAB O=S(=O)(c1ccccc1Cl)N1CC[C@H](Oc2cccc3cccnc23)C1 252551752 UGRAEXNZNPOYHY-HNNXBMFYSA-N 388.876 3.730 0 40 GHAB CC(C)C[C@H]1CN(C(=O)CCc2ccnn2C)CC[C@H]1Nc1cccc(F)c1 257293513 QPVHHPWIWWNWLG-LAUBAEHRSA-N 386.515 3.867 0 40 GHAB c1ccc(-c2cnc3c(N4CCN(Cc5cccs5)CC4)nccn23)cc1 306130826 JQKJVHCFWQJMOY-UHFFFAOYSA-N 375.501 3.780 0 40 GHAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 306139999 UGKFTUPZUOJXOQ-UNMCSNQZSA-N 394.471 3.643 0 40 GHAB CCOc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 408587900 CPIAXTUSCWFVDB-UHFFFAOYSA-N 390.505 3.580 0 40 GHAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Cl)cc1 408648174 VOKHQZFOJMBWHD-UHFFFAOYSA-N 388.851 3.803 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc2c(c1)OCO2 408729508 BVRXUUOQZHLQQP-IBGZPJMESA-N 380.400 3.523 0 40 GHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O 409105485 KJPPQZBFZUTXAT-MHWRWJLKSA-N 388.420 3.604 0 40 GHAB Cc1cc(C)c(OCC(=O)N2N=C3[C@H](CCC[C@H]3C)[C@@]2(O)C(F)(F)F)c(C)c1 409179771 NQMSSJSJKABNBS-XFHNUULXSA-N 398.425 3.876 0 40 GHAB COc1cc(Cl)c(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 409245416 SLGJWIALHFEKFI-LZYBPNLTSA-N 386.835 3.759 0 40 GHAB COc1ccc([C@H](NC(=O)Nc2ncc(C3CCOCC3)s2)C2CC2)cn1 529107365 BCRUFVSLHMVPLD-QGZVFWFLSA-N 388.493 3.714 0 40 GHAB CN(C)CCOc1ccccc1-c1noc(-c2cc3ccccc3nc2O)n1 545088890 NXRGUGKAZDMKAG-UHFFFAOYSA-N 376.416 3.598 0 40 GHAB O=C(CCc1ccccc1OC(F)(F)F)NCc1ccnc(OC(F)F)c1 551353859 OPONHFZPDJHTQI-UHFFFAOYSA-N 390.308 3.831 0 40 GHAB O=C(O)[C@H](c1ccc(F)cc1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 565255476 SIUCSUXQZLTCKW-IRXDYDNUSA-N 399.340 3.924 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NCC[C@H](CCO)c2ccsc2)c1C 575606535 HRHXCGGRLYJEMH-QGZVFWFLSA-N 381.563 3.816 0 40 GHAB O=C(c1ccc(F)c(Cl)c1)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037913084 PZACPRNERYACDC-IBGZPJMESA-N 381.806 3.664 0 40 GHAB Cc1cccc(-c2nnc(S)n2CCC(=O)NCCCOc2ccccc2)c1 11089817 IPNLCFSQOPUSKP-UHFFFAOYSA-N 396.516 3.518 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)c3ccc(C)cc3)n2C)cc1OC 916955 OGSLKFCZCQXWPQ-UHFFFAOYSA-N 383.473 3.783 0 40 GHAB COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Br)cc2)cc1 8058114 VOLWXEYDOUBTIO-UHFFFAOYSA-N 396.306 3.811 0 40 GHAB COc1ccc([C@]2(O)OC[C@H](COc3cc(C)c(Cl)c(C)c3)O2)cc1OC 1588981 COZRYDWWARSBAZ-JXFKEZNVSA-N 394.851 3.571 0 40 GHAB CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(OCC)cc3)n2)cc1 4130066 ITOYWDUONMJKQX-UHFFFAOYSA-N 395.463 3.556 0 40 GHAB CCCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccccc1 4161270 NFKHYTVJHIOWKV-UHFFFAOYSA-N 388.522 3.636 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364504 OSZMOGKXQXQKSB-IBGZPJMESA-N 387.439 3.804 0 40 GHAB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=S)N[C@@H]1c1cccc(F)c1 7551744 PSWNSYQSRMYPOV-GOSISDBHSA-N 386.448 3.717 0 40 GHAB Cc1cc(OCCCC(=O)Nc2ccc(Cl)nc2C(N)=O)ccc1Cl 89587705 FZMZUZHTPMDAJP-UHFFFAOYSA-N 382.247 3.593 0 40 GHAB Cn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1cccc(F)c1 10229863 USRFCXDUHAQJRR-UHFFFAOYSA-N 378.379 3.630 0 40 GHAB O=C(CSc1nnc(Nc2ccccc2)s1)NCCc1ccc(F)cc1 2644442 WYAUPIUURPFQNZ-UHFFFAOYSA-N 388.493 3.872 0 40 GHAB O=C1C[C@@H](Nc2ccccc2Br)C(=O)N1c1ccc(Cl)cc1 101276858 QCFGPFHOAPRGAF-CQSZACIVSA-N 379.641 3.847 0 40 GHAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1N1CCOCC1 8191086 TUCYXJAYWRNIJR-UHFFFAOYSA-N 385.514 3.889 0 40 GHAB C[C@H]1CN(Cc2csc(NC(=O)CCCc3cccs3)n2)C[C@@H](C)O1 22297172 GMHLTALCQVVERF-OKILXGFUSA-N 379.551 3.775 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C3CCCC3)[nH]2)c1C 12103631 ASDTUBQWEBMULY-UHFFFAOYSA-N 376.482 3.559 0 40 GHAB CCc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)C(C)(C)C)cc3C2=O)cc1 992812 ZSHXYKSNENYGPW-UHFFFAOYSA-N 393.439 3.822 0 40 GHAB COc1cc(-c2nc3c4c5c(sc4nc(C)n3n2)COC(C)(C)C5)ccc1O 12388975 DRQJAMIYBAPUIX-UHFFFAOYSA-N 396.472 3.880 0 40 GHAB CCCCc1nnc(NC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)s1 23359534 JEVFGRVPEQYMDL-AWEZNQCLSA-N 396.516 3.720 0 40 GHAB O=c1[nH]c(CN2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccccc12 23873074 PZKLEXQYSFLLSQ-AWEZNQCLSA-N 376.485 3.912 0 40 GHAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N1CCC(=O)CC1 12407979 DOTRFFOCYRNBOK-UHFFFAOYSA-N 384.379 3.822 0 40 GHAB O=C(c1ccoc1)N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 25234891 VSWYNBHMHXQBTQ-UHFFFAOYSA-N 388.423 3.502 0 40 GHAB O=C1OCCN1CCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 43980036 BOPVQPKVTZOTCL-UHFFFAOYSA-N 378.457 3.750 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 35388534 CRVMECYPOUSQBD-NRFANRHFSA-N 380.517 3.685 0 40 GHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cccc(C(=O)NC2CC2)c1 10205335 LVIRMYBMZRECBD-UHFFFAOYSA-N 393.418 3.944 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)nc1 27643780 KVHKUUOKCMIVFB-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB O=C1C[C@H](C(=O)N2CCC[C@H]2Cc2ccccc2)CN1c1cc(F)cc(F)c1 58430334 OOHPZAQRZKEJPL-LPHOPBHVSA-N 384.426 3.551 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 8273685 KZKPYCQCRBMIIP-HNNXBMFYSA-N 377.440 3.846 0 40 GHAB Cc1cccc(N2CCN(CCCNC(=O)c3cc4c(F)cccc4[nH]3)CC2)c1 48174336 SNXGMITVZMSOBF-UHFFFAOYSA-N 394.494 3.558 0 40 GHAB O=C(CCN1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)NC1CC1 12745856 PXWZRSDEVQIVAV-SFHVURJKSA-N 383.517 3.806 0 40 GHAB CC(C)N(C[C@@H]1CCCN([C@@H](C)C(=O)NC(C)(C)C)C1)C(=O)OC(C)(C)C 48274166 MCXUXLDQVDDIOT-DLBZAZTESA-N 383.577 3.647 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccccn1 3444757 AJIPJEIKTGGKFU-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB CC(=O)Nc1ccc(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 8394261 YLKBIHCHDZLPCF-FQEVSTJZSA-N 394.471 3.713 0 40 GHAB CCc1nc(C)c2c(C)c(C(=O)NCCc3ccc4c(c3)OCCO4)sc2n1 12983421 GNEFEBQWFPDIID-UHFFFAOYSA-N 397.500 3.614 0 40 GHAB Cc1nnc2sc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)nn12 6234728 LRUWQIKXIUXYOU-UHFFFAOYSA-N 399.863 3.832 0 40 GHAB COc1cc2[nH]c(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2c(OC)c1OC 5346458 PHTLCBGHHJUBNH-UHFFFAOYSA-N 384.476 3.892 0 40 GHAB O=c1nc(NCCc2c[nH]c3ccc(Cl)cc23)[nH]nc1Cc1ccccc1 27526533 GYYMDGZWJUWICU-UHFFFAOYSA-N 379.851 3.545 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1C 8514317 SBSMPZGKBNYUFW-IBGZPJMESA-N 387.501 3.991 0 40 GHAB CC(C)N(C(=O)COc1ccc(Br)cc1CO)c1ccccc1 5468181 SNIKHCRBEXDGDJ-UHFFFAOYSA-N 378.266 3.762 0 40 GHAB CCCCn1c(S[C@@H](C)C(=O)N[C@H](CCC)c2ccccc2)n[nH]c1=O 14247907 YKCTXZLJUXCLQN-GOEBONIOSA-N 376.526 3.510 0 40 GHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H]1CCSc2ccc(F)cc21 14230027 ZYSYXOJIEBSPAZ-GUYCJALGSA-N 388.489 3.982 0 40 GHAB COCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(C)cc1 6753210 ZJQWEISDWAMTOT-NRFANRHFSA-N 377.444 3.591 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2SC(F)F)cc1 7055895 ORVNTUGRCLQIHM-UHFFFAOYSA-N 387.429 3.979 0 40 GHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CC1CCCCC1 7061721 WDDVEHITGOKXNM-UHFFFAOYSA-N 394.537 3.779 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1Br)OCCO2 15369982 OOYMJBKETOTDDG-UHFFFAOYSA-N 392.249 3.581 0 40 GHAB COc1ccc(OCC(=O)NCc2csc(-c3ccc(OC)cc3)n2)cc1 15832676 TXLXUUKPTFPVKH-UHFFFAOYSA-N 384.457 3.523 0 40 GHAB Cc1sc2nc(S[C@H](C)C(=O)Nc3ccc(F)cc3)n(C)c(=O)c2c1C 7654167 CFWLGEZVQNWTNZ-LLVKDONJSA-N 391.493 3.870 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1F 7779600 DYPBPYGZEGHIPD-UHFFFAOYSA-N 378.252 3.962 0 40 GHAB O=C1C[C@@H](N2CCC(CCc3ccccc3F)CC2)C(=O)N1c1ccc(F)cc1 18218014 XLDZHNJQBGAPOB-OAQYLSRUSA-N 398.453 3.942 0 40 GHAB C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)c1c[nH]c2ccccc12 9074454 HUDUVVYGDZTCDN-NSHDSACASA-N 380.425 3.640 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1CCCn1ccnc1 9187649 KSQQYAYFMKCVQV-HXUWFJFHSA-N 385.423 3.625 0 40 GHAB Cc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)c(C)c1 9237866 QXVLGDFOWSQLOJ-MSOLQXFVSA-N 379.489 3.601 0 40 GHAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 19880323 RRAZNDSVYZANGP-UHFFFAOYSA-N 378.303 3.750 0 40 GHAB CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-n2cccn2)cc1 78805948 XNZYYBGAERXGBM-QGZVFWFLSA-N 386.496 3.542 0 40 GHAB C[C@@H](CC(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1)C1CCCCC1 72288645 NROKOZYEOWQUSN-INIZCTEOSA-N 376.545 3.618 0 40 GHAB OCCN(CCO)c1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 72301708 VLQLWEOOWMAUEY-ZHACJKMWSA-N 395.528 3.532 0 40 GHAB Cc1cnc2c(S(=O)(=O)N(Cc3ccccc3)CC(F)F)cccc2c1 72313125 GKMHTMXEBWBAQY-UHFFFAOYSA-N 376.428 3.999 0 40 GHAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1noc(-c2cccs2)n1 95466363 WWSSNYGNRGJBFS-UHFFFAOYSA-N 389.380 3.759 0 40 GHAB Cc1cc(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)oc1C 95970861 DMMPYGHNBSIIGJ-UHFFFAOYSA-N 391.474 3.644 0 40 GHAB COc1ccccc1[C@H](C)NCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 95989754 PNQBDKDLDDMPPQ-KRWDZBQOSA-N 378.476 3.787 0 40 GHAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccnc3)C2=O)c(C)c1 409374323 MKODCQZSPPSTDS-CXUHLZMHSA-N 381.457 3.682 0 40 GHAB O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21 28206572 RICSVTXIQADPEK-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB COc1ccc(C[C@H](C)c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 544963132 PSPZQAZCVUQCSG-DOTOQJQBSA-N 377.444 3.945 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1Cl 32585445 PZKSRDASXRXHDE-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cc1 32746268 ZUFHZDQYNRXMCF-KRWDZBQOSA-N 378.519 3.781 0 40 GHAB O=C(N[C@@H](CC(=O)N1CCOc2ccccc21)c1ccccc1)c1ccccc1 512310828 ZSEJTTNKZPTVKF-FQEVSTJZSA-N 386.451 3.973 0 40 GHAB COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)NC1CCCC1 33013079 MWYISMIXZGTJOL-UHFFFAOYSA-N 393.443 3.850 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H](c3cc(Nc4ccccn4)cc(C)n3)C2)cn1 72374928 GEDNWJCFVQABEN-KRWDZBQOSA-N 388.475 3.647 0 40 GHAB CCOc1ccc(NC(=O)N2CCC(NC(=O)c3cccc(F)c3)CC2)cc1 35288961 JGDPIXWQQNYLDY-UHFFFAOYSA-N 385.439 3.651 0 40 GHAB COc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2Cl)cc1OC 72329278 RORQNBCIHXNWQR-UHFFFAOYSA-N 389.814 3.816 0 40 GHAB Fc1cccc(-c2ccc(CN3CCn4c(nnc4[C@@H]4CCCN4)C3)cc2)c1 72373964 DLTOFWDZSICXMF-FQEVSTJZSA-N 377.467 3.525 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)c1 62017949 CCQXZSJIYCNPOB-UHFFFAOYSA-N 394.496 3.718 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(CN2CCOCC2)c1 224739855 FLLXGNIBLZSFOE-QFIPXVFZSA-N 396.531 3.609 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1Cl 224782574 WODNWHDQVPAVHR-UHFFFAOYSA-N 395.846 3.926 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222663504 YCVLXMCVRXYWKC-GOSISDBHSA-N 396.531 3.960 0 40 GHAB CN(C)CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cn1 225943627 YQSVGKLIFMKCTE-UHFFFAOYSA-N 375.900 3.883 0 40 GHAB CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 223349175 WMXALRUOZKETKL-YADHBBJMSA-N 394.515 3.708 0 40 GHAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 223218682 XMYJHZWJSGZILP-UHFFFAOYSA-N 385.441 3.744 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cccc(F)c3)c2)cc1 224095534 VKPFWUFRCGVJIJ-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 225718418 DZHHQOQOHMWRCN-OAQYLSRUSA-N 382.504 3.706 0 40 GHAB CSc1cccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 225257204 QFSBHACRGKTHPI-UHFFFAOYSA-N 382.532 3.890 0 40 GHAB COc1ccc(CCC(=O)NCc2cccc(CN3CCCC3)c2)cc1OC 46374939 KMGYDSZAOINALB-UHFFFAOYSA-N 382.504 3.549 0 40 GHAB Cc1cccc(OCCNC(=O)c2ccc(C)cc2I)c1 225029596 KCAVLGPQNGSEMZ-UHFFFAOYSA-N 395.240 3.717 0 40 GHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)c(OC)c1 224813132 NQODTWOQCYBMMM-VQTJNVASSA-N 394.500 3.614 0 40 GHAB O=S(=O)(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1Cl 44298258 NHIJXLBLLOPHLV-OAHLLOKOSA-N 386.876 3.578 0 40 GHAB COc1cccc(OC)c1CNC(=O)c1ccccc1Nc1nc(C)cc(C)n1 225915945 BNBXILBFTVRSJD-UHFFFAOYSA-N 392.459 3.784 0 40 GHAB COc1ccccc1CNC(=O)CCCN1C(=O)CC(C)(C)c2ccccc21 96184052 KLEMPLUYPRGXLN-UHFFFAOYSA-N 380.488 3.806 0 40 GHAB CC1(C)CN(C(=O)Nc2ccc(F)cc2N2CCOCC2)[C@@H]1c1cccnc1 577989337 MRVQQAARPMGIEH-LJQANCHMSA-N 384.455 3.672 0 40 GHAB Cc1noc([C@@H]2CCN(C(=O)Nc3c(-c4cccs4)nc4ccccn34)C2)n1 580010896 OOIKOEWTJMLNDW-CYBMUJFWSA-N 394.460 3.776 0 40 GHAB O=C(Cn1cccn1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257334469 YGASJBZWKFJXPG-INIZCTEOSA-N 384.867 3.522 0 40 GHAB C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(C(=O)C2CCOCC2)C1 257309188 TZWPULJMAHWVCB-QFIPXVFZSA-N 386.467 3.711 0 40 GHAB COC(=O)c1cc(C)c(OS(=O)(=O)c2ccc(Br)cc2)c(C)c1 575415162 VCGBYCJWQDZETK-UHFFFAOYSA-N 399.262 3.620 0 40 GHAB Cc1cccc(-n2nc3cc(Br)c(N)c(Br)c3n2)c1 575414985 DOSZEYLIUIGEMV-UHFFFAOYSA-N 382.059 3.836 0 40 GHAB O=C(c1ccc(Br)o1)N1CCC(CSC2=NCCS2)CC1 77101464 QYZHBVDVZWBFJS-UHFFFAOYSA-N 389.340 3.730 0 40 GHAB Cc1cc2[nH]c(=O)[nH]c2cc1NCc1cc(-c2ccc(Cl)cc2)c[nH]c1=O 12144110 GOOSFRBXJRBJKF-UHFFFAOYSA-N 380.835 3.785 0 40 GHAB Cc1cnc(-c2nc([C@H]3CCCN(C(=O)c4cc(C)c(C)s4)C3)no2)cn1 12187738 RBQXWOIIHXRTLH-AWEZNQCLSA-N 383.477 3.533 0 40 GHAB Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 12293443 PXLLNBNSXKKVJZ-VXKWHMMOSA-N 381.516 3.996 0 40 GHAB CCC(=O)c1ccc(OCC(=O)NC[C@@H](c2ccccc2)N(CC)CC)cc1 12788171 ZWXRHCVCYUVMGS-NRFANRHFSA-N 382.504 3.857 0 40 GHAB COc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCN(CC(C)C)C1 13687091 OZESIOUCOVERQZ-UHFFFAOYSA-N 378.476 3.769 0 40 GHAB CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc2ccccc2c1 16187752 QWCRWKYNGITXHX-UHFFFAOYSA-N 388.533 3.689 0 40 GHAB S=C(NCc1ccccc1CN1CCOCC1)Nc1ccccc1Cl 18165355 LWCFJWKPONQRMQ-UHFFFAOYSA-N 375.925 3.659 0 40 GHAB Cc1ccccc1OC[C@H]1CCCN(C(=O)c2cc(-c3cnn(C)c3C)on2)C1 19237367 GKGOEVOXJMSVJZ-KRWDZBQOSA-N 394.475 3.623 0 40 GHAB O=C(Nc1ccccc1CN1CCCCCC1)c1ccccc1Cn1cncn1 19349823 XNXZAFXHJOUHAK-UHFFFAOYSA-N 389.503 3.955 0 40 GHAB O=C1NCCN(C(=O)C2CCCC2)C[C@@H]1Cc1ccccc1-c1ccccc1 19374302 WXNGHCVOILTCEG-NRFANRHFSA-N 376.500 3.661 0 40 GHAB CCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3F)cc2)(C(=O)NC)C1 19498602 GQOMYAJPFQIRCJ-HSZRJFAPSA-N 382.479 3.800 0 40 GHAB Cc1nc([C@H]2CCCCN2Cc2ccc3[nH]ccc3c2)ncc1C(=O)N(C)C 19753696 NGNZSYYWURGSSU-HXUWFJFHSA-N 377.492 3.695 0 40 GHAB C[C@@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 8221934 LDSBQBJYVULNTQ-DYTQJMLRSA-N 378.881 3.777 0 40 GHAB CCC(=O)N1Cc2ccccc2N(C(C)=O)CC[C@H]2CCC[C@@H](C1)N2CC1CC1 643577258 CEVRIHCLGOCQGV-YADHBBJMSA-N 397.563 3.815 0 40 GHAB CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 7220412 SOYPMVHYRBPOSB-KRWDZBQOSA-N 399.560 3.704 0 40 GHAB Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)C(=O)Nc1ccccc1 4375269 GKGXUIKCEGQUMD-UHFFFAOYSA-N 383.448 3.555 0 40 GHAB Cc1ccc2nc(N(CCCN(C)C)C(=O)COc3ccccc3)sc2c1 4359558 SWCGRCCJYXUPGJ-UHFFFAOYSA-N 383.517 3.968 0 40 GHAB O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(C(F)(F)F)cc1 9038983 HUCGCUGBQXEMQD-CYBMUJFWSA-N 377.366 3.880 0 40 GHAB O=C(Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1)NCc1cccs1 13716726 GOKSIISGSBOPSW-UHFFFAOYSA-N 394.452 3.588 0 40 GHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2C)c2ccco2)cc1 15781090 LESTVJIFRYEWIH-FQEVSTJZSA-N 399.468 3.542 0 40 GHAB CCc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3ccco3)sc2c1 22997593 JFMDTLHUIYGDKX-UHFFFAOYSA-N 399.516 3.821 0 40 GHAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@H](c1cccs1)N1CCOCC1 23182617 RXORUYSBLFGGNO-CXAGYDPISA-N 379.913 3.985 0 40 GHAB O=C(NCc1ccc([C@H](O)c2ccsc2)s1)c1cc2ccccc2oc1=O 207966174 CCINLQSVANSUNX-GOSISDBHSA-N 397.477 3.928 0 40 GHAB O=C(Cc1ccc2c(c1)OCO2)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219327245 OWKUWLZOICZEJX-LJQANCHMSA-N 391.439 3.943 0 40 GHAB Cc1c(C(=O)N2CCc3ccccc32)nnn1-c1nc(-c2ccccc2)cs1 49032522 XCTZJNPNSRUXNY-UHFFFAOYSA-N 387.468 3.902 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCC(=O)Nc1c(F)cccc1F 14345069 KDCAHMJPWWASAW-CPUCHLNUSA-N 383.435 3.924 0 40 GHAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2C[C@@H]1O 2332242795 QVCUEJLUDFLNGL-NBMJBFSESA-N 379.426 3.654 0 40 GHAB O=C(CSCC(=O)N1CCCCC1)NCC1(c2ccccc2)CCCCC1 40082959 CQDXKEWHLCAPRH-UHFFFAOYSA-N 388.577 3.750 0 40 GHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCC[C@H](C)C2)c(OC)c1 40107128 GNGVAHDJZAYRNY-SFHVURJKSA-N 396.531 3.795 0 40 GHAB Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 7338010 ZQMVVGOLDSAGOQ-UHFFFAOYSA-N 381.407 3.645 0 40 GHAB COC(=O)CSc1nnc(CNc2ccc(C)cc2C)n1-c1ccccc1 887789 FIUSAVBLGKZXIG-UHFFFAOYSA-N 382.489 3.761 0 40 GHAB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(Cl)cc1 2463422 PUGVNTZCGAYKKC-ZFWWWQNUSA-N 378.881 3.942 0 40 GHAB CCOC(=O)c1c(OC)c(-c2ccccc2)c(=O)n2c3ccccc3n(C)c12 1609068 BPOJOJGNFGJWGK-UHFFFAOYSA-N 376.412 3.644 0 40 GHAB Cc1cc(C)cc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3cc(F)ccc32)c1 32087703 ZIFGJTDAMMYCPV-OAQYLSRUSA-N 376.391 3.858 0 40 GHAB O=C(Nc1ccc(Cl)cn1)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680784 MFOVLRMZRSOLJP-UHFFFAOYSA-N 399.925 3.614 0 40 GHAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 8500038 NUZQFJWKKUJCNU-TYOLEZHBSA-N 378.516 3.928 0 40 GHAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Br)o3)cc21 8959376 ZGHKUABQAIVUBH-UHFFFAOYSA-N 393.237 3.676 0 40 GHAB CN(C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 10287245 CQTSKJQCGKAQCG-UHFFFAOYSA-N 380.469 3.792 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 57364058 HENSQYWUIGSHFY-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB CS(=O)(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3Cl)on2)c1 32827651 IBLYQJFHHCJOEC-UHFFFAOYSA-N 391.836 3.619 0 40 GHAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 101178767 MBEIPAAIJONRMZ-HBMCJLEFSA-N 388.423 3.893 0 40 GHAB Cc1ccc2nc(C)c(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc2c1 10783459 LDXZFRRZXPCIBN-UHFFFAOYSA-N 387.483 3.886 0 40 GHAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cc(Cl)ccc1F 32850874 MJWNOMBOQVPXOH-UHFFFAOYSA-N 391.805 3.977 0 40 GHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(CN2CCCC2)c1 59936382 NODWSZNIHDXSIO-UHFFFAOYSA-N 388.475 3.523 0 40 GHAB NC(=O)c1cc(-c2csc(NC(=O)Cc3ccc(Cl)c(Cl)c3)n2)c[nH]1 32901916 QLTBAKBWTMVPMI-UHFFFAOYSA-N 395.271 3.725 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 21960103 PQUNDPPACQMDIJ-IBGZPJMESA-N 399.560 3.511 0 40 GHAB Cc1ccccc1OCCC(=O)NCCn1cc(-c2ccncc2)c(C2CC2)n1 57774567 FGZVUOWJLKCDGE-UHFFFAOYSA-N 390.487 3.716 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 20481688 STZVXNHUSKMTGB-HNNXBMFYSA-N 394.924 3.600 0 40 GHAB CC(C)(NC(=O)Cc1coc(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 58438937 LNXXWXITPFWFQI-UHFFFAOYSA-N 378.428 3.707 0 40 GHAB Cc1nc(C2(NC(=O)CCc3c(C)nn(CC(C)C)c3C)CCCCC2)no1 42009689 HRRLSONBCKNNKI-UHFFFAOYSA-N 387.528 3.756 0 40 GHAB CCCCn1nc(C)c(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1C 100755916 FWNZEELEKXWOME-XMSQKQJNSA-N 394.567 3.952 0 40 GHAB Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)cc1 102076855 UAFQWEXSJXVBLA-VXAPCQRLSA-N 399.446 3.772 0 40 GHAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1n[nH]c(=O)c2ccccc12 23077188 TZCPTAJBADGNPU-NRFANRHFSA-N 384.391 3.704 0 40 GHAB O=C(CN1CCN(CC2CCCCC2)CC1)Nc1ccccc1C(F)(F)F 23249682 MPJQZQZFDQOVCA-UHFFFAOYSA-N 383.458 3.842 0 40 GHAB C[C@H](OC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@H](C)c1ccccc1 23328861 JLQZHUOWGLFTRU-ROUUACIJSA-N 376.456 3.943 0 40 GHAB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCc3nc(C)no3)[C@@H]2c2cccs2)cc1 23373303 HGAJXSKCOGOHCY-DNVCBOLYSA-N 397.456 3.586 0 40 GHAB CC(C)C(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccc2nccnc2c1 12420908 JYFRZWPMVJJCDZ-IBGZPJMESA-N 388.427 3.692 0 40 GHAB COc1ccc(Br)cc1-c1nc(CSc2ncn[nH]2)cs1 7603907 JKKFYXSYFAABLG-UHFFFAOYSA-N 383.296 3.992 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20153655 ZYAWXYLOCRQLHX-UHFFFAOYSA-N 396.468 3.639 0 40 GHAB COc1cc2c(cc1NC(=O)COC(=O)c1cccnc1)oc1ccccc12 3298070 RNKJVCDHBOIHOH-UHFFFAOYSA-N 376.368 3.785 0 40 GHAB Cc1ccc(N(CCC(=O)O)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 3319621 WVDLZZKKFXTBSX-UHFFFAOYSA-N 387.379 3.684 0 40 GHAB CNC(=O)c1ccc(NC(=O)CN2CCCCC[C@H]2c2ccc(OC)cc2)cc1 12795493 FSINUSXNMHAMBO-NRFANRHFSA-N 395.503 3.611 0 40 GHAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 7734511 WPRVZDJEKVPAPQ-DGCLKSJQSA-N 388.817 3.882 0 40 GHAB COc1ccc(CCNC[C@@H](O)COc2ccc(OC)cc2C(C)(C)C)cc1 3413622 AOUQBZQEYAPCCP-GOSISDBHSA-N 387.520 3.573 0 40 GHAB Cc1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)n1-c1ccccc1 3409671 LLYVZTZSROYDHS-LJQANCHMSA-N 378.501 3.862 0 40 GHAB COc1ccc(N(Cc2cccs2)S(=O)(=O)c2c(C)noc2C)cc1 7986257 BMVRPGWURFVTNZ-UHFFFAOYSA-N 378.475 3.757 0 40 GHAB C[C@H](C(=O)NCCc1ccc(Cl)cc1)n1c(S)nnc1-c1cccs1 64334522 SSOSPQDOAMONQT-LLVKDONJSA-N 392.937 3.869 0 40 GHAB O=C(c1ccc(Br)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 13692276 RMRPRVVPUZDQTH-AWEZNQCLSA-N 385.265 3.512 0 40 GHAB COc1ccc(Br)c(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 5102394 LIXANBKZPJVVNR-XHBSWPGZSA-N 398.297 3.555 0 40 GHAB CC(C)Cn1c(SCC(=O)Nc2cccc(F)c2)nc2ccccc2c1=O 8230048 BRZQFNVBUVQXEW-UHFFFAOYSA-N 385.464 3.922 0 40 GHAB CC(C)[C@H](NC(=O)c1ccn(-c2cccc(F)c2)n1)c1ccc2c(c1)OCCO2 65491606 GNCADUKWSJWFPK-NRFANRHFSA-N 395.434 3.910 0 40 GHAB CCOc1ccc(CN(CC)S(=O)(=O)c2ccc3c(c2)CCC3)cc1OC 8341145 YFKXKHUTQCXION-UHFFFAOYSA-N 389.517 3.793 0 40 GHAB CC[C@H](C)Nc1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccccc12 6804958 KZFCAGBBMGDZTR-AWEZNQCLSA-N 395.488 3.629 0 40 GHAB CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(Cl)ccc2OC)c1 5945984 ZTGTXSLEYMDUCA-UHFFFAOYSA-N 391.880 3.824 0 40 GHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(C)c3)c2C)c(C)c1 67322197 JOFASNOPIKJQED-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB CCOC(=O)[C@H]1C(=O)Nc2ccccc2N1C(=O)Nc1ccc(C)c(Cl)c1 8861658 HJOKCIFKQNOVRE-MRXNPFEDSA-N 387.823 3.571 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 9376781 IPWHIWFNCLKTCG-GOSISDBHSA-N 392.908 3.830 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2Br)c(C)c1C(=O)O 89626549 CJEKCCRQPVFNIK-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)/C=C/c1cnc2ccccc2n1 95430431 QHVBKRAENNOUSF-MTQIJDFFSA-N 396.491 3.547 0 40 GHAB CC[C@@H](NC(=O)C(=O)Nc1ccc(Cn2ccnc2)cc1)c1ccc(Cl)cc1 84734041 CJZHZNSJFFQHMD-LJQANCHMSA-N 396.878 3.791 0 40 GHAB CC[C@H](NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccccc1 22522645 XHNJMVBSBMDWHZ-FQEVSTJZSA-N 396.512 3.873 0 40 GHAB CCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N(C)C)cc1 28296060 DWWLVZSEIPDJRP-HXUWFJFHSA-N 379.460 3.773 0 40 GHAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1OC 122331523 WCXOHPDRXKGGGF-CQSZACIVSA-N 377.868 3.874 0 40 GHAB COc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 35289469 BDIZYLOQWQKWMN-UHFFFAOYSA-N 387.867 3.775 0 40 GHAB CCCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 408627605 MHIJVCCNGSOVFT-JTQLQIEISA-N 381.567 3.611 0 40 GHAB Cc1ccn2c(=O)cc(COc3cccc(NC(=O)c4cccs4)c3)nc2c1 33068008 YHNFJVMXUQCWPC-UHFFFAOYSA-N 391.452 3.896 0 40 GHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(OC)c(OC)c1 30866066 STPCZXPTSLXUDX-QGZVFWFLSA-N 377.868 3.874 0 40 GHAB CCCCn1nc(C)c(-c2cc(-c3nn4c(C(C)C)nnc4s3)n[nH]2)c1C 36360284 SDVIYEUTFVUTOT-UHFFFAOYSA-N 384.513 3.980 0 40 GHAB CCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1ccc2c(c1)OCO2 32642902 IYYZISKUZBOQHC-UHFFFAOYSA-N 379.416 3.764 0 40 GHAB C[C@H]1Cc2cc(-c3ccc(CNC(=O)c4cnc5c(cnn5C)c4)cc3)ccc2O1 533863604 GKMKMVFSMCKZCO-HNNXBMFYSA-N 398.466 3.889 0 40 GHAB COc1ccc2cc([C@@H]3SC(C)=Nc4c3c(O)nn4C(C)C)c(=O)n(C)c2c1 71286461 UXMBYDZRGMFUPO-KRWDZBQOSA-N 398.488 3.916 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1C[C@@H]1c1ccco1 121787682 BWTAWYLSBSFHFG-UONOGXRCSA-N 380.366 3.877 0 40 GHAB CC(C)C(=O)Nc1cccc(OCc2cc(=O)n3c4c(sc3n2)CCCC4)c1 35372121 IPTSQMKYALIHQS-UHFFFAOYSA-N 397.500 3.808 0 40 GHAB Cc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 33529099 LKNBMWMJWUVCAV-UHFFFAOYSA-N 394.924 3.616 0 40 GHAB Cc1cccc(Oc2cc(CNC(=O)N3C[C@@H](C)[C@@](C)(CO)C3)ccn2)c1C 1564210128 DGHWNJIZTJPLEQ-OPAMFIHVSA-N 383.492 3.651 0 40 GHAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 72362808 CBRMXOICFDDCKM-QGZVFWFLSA-N 391.475 3.558 0 40 GHAB CCc1cc(I)ccc1NC(=O)c1ccc(OC)c(N)c1 226268984 SZWBPQBVXSEGEP-UHFFFAOYSA-N 396.228 3.697 0 40 GHAB O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1cc(F)c(F)c(F)c1F 61351540 BZCVWWOPNHHDHV-QGZVFWFLSA-N 381.325 3.764 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 222395321 QVQKFBKUORPWLE-GOSISDBHSA-N 396.531 3.835 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 223545566 FTHSMBIXVQBOBT-GOSISDBHSA-N 382.504 3.742 0 40 GHAB COCCNC(=O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(N)c1 225437356 KNUBQMXLAIXFCW-UHFFFAOYSA-N 389.499 3.852 0 40 GHAB Cc1ccc(NC(=S)NCCCOC2CCCC2)cc1N1CCCC1=O 225620709 WDMWAIZCDJKNMG-UHFFFAOYSA-N 375.538 3.758 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(C)c(C)c1 224619303 CXICQXQVUAHEMT-QFIPXVFZSA-N 396.531 3.668 0 40 GHAB O=C(O)C[C@@H]1CCN(Cc2cccc(F)c2)C[C@@H]1Cc1nc2ccccc2[nH]1 514288766 DSVBNTUADVUJTF-IRXDYDNUSA-N 381.451 3.858 0 40 GHAB biogenic,in-vitro COc1ccc(S(=O)(=O)NCCOc2ccc(C)c(C)c2)cc1C(C)C 224637288 MFMHDZPEVVUWBN-UHFFFAOYSA-N 377.506 3.793 0 40 GHAB O=C(Cc1csc2ccc(Cl)cc12)N=c1cc([C@H]2CCCOC2)[nH][nH]1 525942855 LQQBUOCVPBBGSG-NSHDSACASA-N 375.881 3.775 0 40 GHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)S1 222628732 LHPOKNCOWZPSLN-XPGWFJOJSA-N 375.501 3.916 0 40 GHAB CCc1ccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 224553254 MMZNCXIFPSSNTP-UHFFFAOYSA-N 384.495 3.795 0 40 GHAB Cc1nc(C(=O)NCCc2nc3ccccc3n2C)c(Cc2ccccc2)s1 96231239 BUZIZNPKMSSTRC-UHFFFAOYSA-N 390.512 3.902 0 40 GHAB COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)Nc2ccc(OC)cc2)cc1 245377332 JSRSHQJCNXRJKF-VUEDXXQZSA-N 392.455 3.719 0 40 GHAB O=C(O)c1sc2ccccc2c1CN1CCC[C@H]1Cn1cc(C2CC2)nn1 583146504 AFVAGWOWJSIXIS-AWEZNQCLSA-N 382.489 3.733 0 40 GHAB O=C(Cn1cccn1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257203662 ARASQOXWBNAXKZ-GOSISDBHSA-N 384.867 3.869 0 40 GHAB C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)N[C@@H]1CCC[C@@H]2N3C(=O)CN1CCCCCC1 257212764 CEWNQZZFFMILQZ-ACUMWEPGSA-N 395.591 3.605 0 40 GHAB COc1cc(C)c(CN(C)C(=O)c2ccc3c(c2)CCCC(=O)N3)cc1OC 642255577 SKJOSDHRTRKSRA-UHFFFAOYSA-N 382.460 3.559 0 40 GHAB COc1cccc(C2(NC(=O)N[C@@H](C)c3cn(-c4ccccc4)nn3)CCC2)c1 664440003 CVBDNTMYZYOKED-INIZCTEOSA-N 391.475 3.716 0 40 GHAB O=C(/C=C/c1ccccc1)N1CCC[C@H](c2csc(N=c3cncc[nH]3)n2)C1 585291499 CYCBQPFNYBPGRL-IJDCCNJMSA-N 391.500 3.518 0 40 GHAB Cc1cnc(N=c2cncc(C3CCN(Cc4ccc(F)cc4)CC3)[nH]2)s1 585262641 MQRJGGWXLIBREG-UHFFFAOYSA-N 383.496 3.926 0 40 GHAB CCN(C(=O)Cc1cnccc1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 585105566 DEBFMHONSUUSPE-UHFFFAOYSA-N 395.551 3.672 0 40 GHAB Cc1[nH]c(=S)sc1CC(=O)NCc1cccc(NC(=O)C2CCC2)c1 45931168 NPCJRCOTEPFGHQ-UHFFFAOYSA-N 375.519 3.712 0 40 GHAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCO[C@@H](c2ccc(F)cc2)C1 46577923 KSMNUVWLHKFOAZ-MRXNPFEDSA-N 389.370 3.607 0 40 GHAB Cc1c(CCC(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)cnn1C 1615160032 WVDKURZQYFUCFF-SFTDATJTSA-N 398.526 3.849 0 40 GHAB Cc1ccc(/C=C2/N=C(c3ccc(I)cc3)OC2=O)o1 829636 NHOWDBPVQXMZDD-MDWZMJQESA-N 379.153 3.537 0 40 GHAB C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)C12CC3CC(CC(C3)C1)C2 5191542 GGXNGWJXWJUHJG-KWJFTMPMSA-N 379.504 3.577 0 40 GHAB COc1ccc(CCNC[C@H](O)CSc2ccc(Cl)cc2)cc1OC 5640330 PQFKIFRCQOOMKL-INIZCTEOSA-N 381.925 3.643 0 40 GHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)C4CCCCC4)nn3cn2)cc1 12085151 PPHGGEKTCPGIBT-AWEZNQCLSA-N 379.464 3.557 0 40 GHAB Cc1cc(C)cc(C(=O)NCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 12930241 VGLQUCBRUXURQJ-UHFFFAOYSA-N 387.483 3.830 0 40 GHAB COc1ccc(-c2cc(CC(=O)NCc3ccccc3Cl)no2)cc1OC 12867680 MJXHDKJZCCGFBR-UHFFFAOYSA-N 386.835 3.871 0 40 GHAB COc1ccc(CN2C[C@H](c3ccc(OC)cc3)[C@@H]3[C@H]2CCCN3C(C)=O)cc1 19017753 SJURLQDNBYFAHB-WXFUMESZSA-N 394.515 3.683 0 40 GHAB CC(=O)N1CCc2nc(C3CCN(Cc4cc5ccccc5o4)CC3)ncc2C1 19018881 RMNBKDBUIHBVGK-UHFFFAOYSA-N 390.487 3.507 0 40 GHAB c1ccc(CN2CCc3nc(N4CCCC4)nc(Nc4cccnc4)c3C2)cc1 19372330 XPGLGTCLRHTKRD-UHFFFAOYSA-N 386.503 3.774 0 40 GHAB CC(C)c1nc(C[C@@H](NC(=O)Cc2ccccc2)c2ccccc2)cc(=O)[nH]1 19453566 RQJYFWAOSRLBSS-HXUWFJFHSA-N 375.472 3.536 0 40 GHAB COc1ccccc1CN1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 19712606 MOWVZXXCZLXEQA-MZKRTTBSSA-N 382.479 3.861 0 40 GHAB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O 6326813 AETAFRQKEWLRTM-QPEQYQDCSA-N 387.379 3.941 0 40 GHAB COc1cccc([C@H]2CN(C(=O)c3[nH]c4ccccc4c3C)[C@@H]3CCCN[C@H]23)c1 19565845 FFLULUSNFNENSS-KJXAQDMKSA-N 389.499 3.845 0 40 GHAB CCOc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)o2)cc1 2720335 ZVPNXIMKDUYWGZ-UHFFFAOYSA-N 381.457 3.817 0 40 GHAB Cc1ccc(C[C@@H]2SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 3671608 LDTRIHFEIKUUCM-FQEVSTJZSA-N 379.529 3.666 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)c(O)n1)Nc1cccc(Cl)c1 4317293 MEOQTWXJIDSOJQ-UHFFFAOYSA-N 386.864 3.552 0 40 GHAB O=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1ccc2c(c1)OCO2 5146632 TWVUQJDFQZZTGI-UHFFFAOYSA-N 391.452 3.650 0 40 GHAB Cc1cc(C(=O)N(CCCN(C)C)c2nc3c(Cl)cccc3s2)no1 12229541 XWQPRZQNILBCJZ-UHFFFAOYSA-N 378.885 3.845 0 40 GHAB Cc1nc2sccn2c(=O)c1NC(=O)Nc1ccc(OC(F)(F)F)cc1 13708010 ZUDMLKNSEJSMLE-UHFFFAOYSA-N 384.339 3.607 0 40 GHAB Cc1cccc(CN2C(=O)CCC23CCN(C(=O)c2cccc(Cl)c2)CC3)n1 2055819365 QBUWQTSWEQWJEZ-UHFFFAOYSA-N 397.906 3.841 0 40 GHAB Cc1cc(OC2CN(C(=O)c3cccc(Oc4ccc(F)cc4)c3)C2)cc(=O)o1 206959275 PTDZWVFNCULFNZ-UHFFFAOYSA-N 395.386 3.783 0 40 GHAB Cc1ccc(Oc2cccc(NC(=O)Nc3ccc4c(c3)OCCO4)c2)nn1 38670769 LTGNAWUEPGTWJY-UHFFFAOYSA-N 378.388 3.993 0 40 GHAB CSc1ccc(CN(C)C(=O)[C@H](C)n2c(C)nc3ccccc3c2=O)cc1 30586046 WZURKRURZOXZAK-AWEZNQCLSA-N 381.501 3.646 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1C 31071139 BUMKUBKAEOJVIC-UHFFFAOYSA-N 385.464 3.589 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(NC(=O)CC(C)(C)C)s1 1371408 HHXKFGAEEBHLIS-UHFFFAOYSA-N 394.522 3.652 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1N1CCc2ccccc21 31532441 IFTMANUBKFPLLX-UHFFFAOYSA-N 396.450 3.729 0 40 GHAB COc1ccc(O)c(C(=O)c2cnn(C(=O)c3ccc(OCC(C)C)cc3)c2)c1 3381736 GFPIULPVJWUHLU-UHFFFAOYSA-N 394.427 3.552 0 40 GHAB COC(=O)c1sccc1NC(=O)CN(C)Cc1ccc2cc(OC)ccc2c1 11438199 GQWCPFOEDJDUQF-UHFFFAOYSA-N 398.484 3.767 0 40 GHAB CCc1ccc(-n2c(SCC(=O)N(CC)CC)nnc2-c2cccnc2)cc1 4855153 UIGMRVMRIUVRFX-UHFFFAOYSA-N 395.532 3.852 0 40 GHAB COc1cccc([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C3=C2C(=O)OC3)c1OC 4944654 IUMGKIWGLNXPFT-QGZVFWFLSA-N 393.439 3.652 0 40 GHAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 6023969 VYNJMBPLDOOTOC-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 6959453 XQMJSHUMWLVNQO-UHFFFAOYSA-N 396.491 3.894 0 40 GHAB Cc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)CC1=O 7881481 KDMANUJJMANUCI-GDBMZVCRSA-N 385.847 3.816 0 40 GHAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(CN2CCCCC2)cc1 11759776 AAGZFHRAYUNJSN-UHFFFAOYSA-N 376.504 3.911 0 40 GHAB O=C(Cc1noc2ccccc12)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 46369169 VBUMGHPURXWIMG-UHFFFAOYSA-N 393.830 3.872 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(NC(C)=O)cc1 2601578 AYBNYIBESYIIJW-ZFZVPDIOSA-N 387.524 3.941 0 40 GHAB O=C1[C@@H]2[C@@H](C(=O)N1c1cnn(Cc3ccc(Cl)cc3Cl)c1)[C@H]1C=C[C@H]2C1 101569897 CIGHPEZOBMIUNR-BHWMQLMCSA-N 388.254 3.550 0 40 GHAB COc1cccc2c(C)cc3nnc(SCC(=O)Nc4ccccc4)n3c12 11903252 ZACXENKHQPNPAJ-UHFFFAOYSA-N 378.457 3.930 0 40 GHAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccco2)C(=O)N1c1ccc(Cl)cc1 101997229 ZFLJYOAQDAVHEY-GBESFXJTSA-N 394.814 3.984 0 40 GHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C(C)C 101910311 QKFPVYOVLKNZNC-BQFCYCMXSA-N 385.508 3.852 0 40 GHAB CCOC(=O)c1ccoc1COC(=O)c1cnc(SC)n1-c1ccccc1 21432952 JDQOSRHQAOPIAI-UHFFFAOYSA-N 386.429 3.721 0 40 GHAB Cc1ccc(-n2ncc([C@H](C)NC(=O)[C@H](C)NC(=O)c3cccs3)c2C)cc1 32827889 UPCNXUOWYWKQOE-GJZGRUSLSA-N 396.516 3.546 0 40 GHAB CSc1nc(C)c(CCC(=O)N2CCc3[nH]c4ccccc4c3C2)c(C)n1 32880003 OOWXYTGWZYEEES-UHFFFAOYSA-N 380.517 3.814 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)c3cccnc3Nc3ccccc3F)cc2NC1=O 32863783 MKGKCVBOCKQBLN-GFCCVEGCSA-N 392.390 3.936 0 40 GHAB C[C@@H](NC(=O)c1cccc(C[S@@](C)=O)c1)c1ccc(OC(F)(F)F)cc1 32818433 JYJXKGRCKJPSJL-RYZVSIALSA-N 385.407 3.955 0 40 GHAB CSc1ncc(Cl)c(C(=O)NCc2cccc(OCC(F)(F)F)c2)n1 32930622 UCHDRVIPQIRLPY-UHFFFAOYSA-N 391.802 3.723 0 40 GHAB O=C(Cc1cccnc1)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 100156374 PUJXKGSGCUSJGH-FZNQNYSPSA-N 382.489 3.826 0 40 GHAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2)C(=O)N1c1ccccc1F 102722971 IMEVDSRFMICGCF-PCCBWWKXSA-N 388.398 3.877 0 40 GHAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(Cl)c(Cl)c1 21934976 VXCPFHHEBPQFGK-UHFFFAOYSA-N 379.287 3.756 0 40 GHAB CCc1ccc(Cl)c(CC)c1NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 102920388 CPMXZLRHGOTGOQ-GASCZTMLSA-N 376.884 3.579 0 40 GHAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccncc2)n1C 648813 JMXQYPSNSUQLOK-UHFFFAOYSA-N 381.505 3.733 0 40 GHAB COc1ccc(-c2nnc3ccc(Oc4cccc(NC(C)=O)c4)nn23)cc1 12390083 NAUPGAHDTJUXAE-UHFFFAOYSA-N 375.388 3.551 0 40 GHAB Cc1cc(C)n(-c2nc(-n3ccnc3)c3c4c(sc3n2)COC(C)(C)C4)n1 12324005 VVAPGTWBLVEOGD-UHFFFAOYSA-N 380.477 3.531 0 40 GHAB O=C(N[C@H]1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 47172955 NPJNFFWJTZMSFB-KRWDZBQOSA-N 376.378 3.771 0 40 GHAB COc1cc(CN(C)C(=O)c2cc(-c3ccccc3)[nH]n2)ccc1OC(F)F 12550404 ZFAKOXMOZOKFKQ-UHFFFAOYSA-N 387.386 3.959 0 40 GHAB COc1ccc(Cc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1OC 23624769 ARODFLCCKDPQRN-UHFFFAOYSA-N 382.441 3.749 0 40 GHAB COc1ccc(C(C)(C)C)cc1CN1[C@@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 100763520 MNXOUJBJJDGSTN-RTBURBONSA-N 383.536 3.741 0 40 GHAB CC(C)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)CC1 12535712 JLIQVNQRTQOMRS-UHFFFAOYSA-N 382.508 3.596 0 40 GHAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1cccc2ccccc12 24690885 BFLPBRLCTKLKTF-AWEZNQCLSA-N 383.473 3.712 0 40 GHAB Cc1ccc(OCCNC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 24751747 PIEZXPFPUGHUGS-UHFFFAOYSA-N 397.519 3.888 0 40 GHAB O=C(COC(=O)CSc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 3283074 OROFHAXMPKTFKA-UHFFFAOYSA-N 384.284 3.945 0 40 GHAB O=C(CC[C@H]1CCCO1)N1CCc2[nH]c3c(Br)cccc3c2C1 55731420 JAGXNELWQAUSRB-GFCCVEGCSA-N 377.282 3.774 0 40 GHAB O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1ccc2c(c1)OCO2 56200619 RXXNLSTXPBGHEH-UHFFFAOYSA-N 375.306 3.872 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2nc(SC)ncc2Cl)c1 25607999 NVNGNFQQNPQFJB-CQSZACIVSA-N 393.896 3.846 0 40 GHAB Cc1cccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)c1O 3286869 YPGMFUJMABLEDU-UHFFFAOYSA-N 382.243 3.523 0 40 GHAB O=C(NCC(=O)N1CCCc2ccccc21)c1cc(-c2ccccc2Cl)on1 57271200 NRRUGZPMVKNKJG-UHFFFAOYSA-N 395.846 3.704 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-n2cccc2)cc1 8156923 MUAZVKMXSFRKIU-UHFFFAOYSA-N 395.484 3.514 0 40 GHAB CC(C)c1ccc(/C=C/C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 10089657 JUKPWJGTWVSAHD-BJMVGYQFSA-N 379.412 3.580 0 40 GHAB Cc1cccnc1NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 58177794 YFXWTPOBLFAPCS-HNNXBMFYSA-N 381.411 3.991 0 40 GHAB COc1ccc2c(C)cc(SCC(=O)N3CC(=O)Nc4ccccc43)nc2c1 3325692 WCOAFAIDVFUUCJ-UHFFFAOYSA-N 393.468 3.629 0 40 GHAB COc1ccc(-c2ccc(=O)n([C@@H]3CCc4ccccc4N=C3O)n2)c(F)c1 44920486 QABQTKGNYBIYJA-LJQANCHMSA-N 379.391 3.834 0 40 GHAB O=C(CSc1cccc[n+]1[O-])N(CCc1ccccc1)Cc1ccccc1 3300964 NHIWMCDOBNTTMZ-UHFFFAOYSA-N 378.497 3.684 0 40 GHAB CSc1nc(C(=O)OCC(=O)c2c[nH]c3cccc(C)c23)c2ccccn12 58320153 XJGBEIOYSANMRV-UHFFFAOYSA-N 379.441 3.886 0 40 GHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCN(C)C[C@@H]1c1ccccc1 58370711 FAKRLKRTGCYONG-OAQYLSRUSA-N 392.503 3.864 0 40 GHAB COc1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c(OC)cc1Cl 10446900 JCPVMOUZEQWFSA-UHFFFAOYSA-N 398.242 3.963 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1F 3370220 IHZPGBOCLWSHIA-UHFFFAOYSA-N 392.221 3.927 0 40 GHAB CCc1ccc([C@H](CNC(=O)COc2ccc(OC)cc2)N2CCCCC2)cc1 28293418 SGVQGWAQZIIGRE-QHCPKHFHSA-N 396.531 3.980 0 40 GHAB CC[C@@H](C)NC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 12899724 KOXRWVBPDPERLQ-GFCCVEGCSA-N 387.476 3.671 0 40 GHAB biogenic CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1c(-c2ccccc2)noc1C 12889770 XVVMUEJITJDABZ-UHFFFAOYSA-N 388.427 3.549 0 40 GHAB O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 12948197 LGVLTMMYTHIBRN-QRWLVFNGSA-N 390.474 3.998 0 40 GHAB COc1cc(CN(C)C(=O)c2cc3c(C)nn(C)c3s2)ccc1OC(F)F 12978384 AMQQPUOEGFKYDO-UHFFFAOYSA-N 395.431 3.825 0 40 GHAB COc1ccc(NC(=O)CN(C)Cc2cc(Br)ccc2OC)cc1 3540868 UVFYTHYIWQFQLR-UHFFFAOYSA-N 393.281 3.537 0 40 GHAB COc1ccc(-c2nc(NC(=O)[C@@H]3COc4ccccc4O3)sc2C)cc1 3554330 PIDSFYXOHTXWMM-KRWDZBQOSA-N 382.441 3.906 0 40 GHAB CN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)C1CCCCC1 3537506 ODOCINHBPKXJCI-UHFFFAOYSA-N 381.505 3.699 0 40 GHAB Cc1cc2ncn(-c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)c2cc1C 6084934 RWQWGOUXJDCBLE-UHFFFAOYSA-N 386.521 3.845 0 40 GHAB C[C@H](Sc1nnnn1-c1ccccc1)C(=O)c1ccc(Br)cc1 5035364 BDTMIKOEEIYASP-NSHDSACASA-N 389.278 3.788 0 40 GHAB Cc1c(C(=O)NC2CCCCC2)cnn1-c1ccc(-c2nc(C(C)C)no2)cn1 65254254 FAIBGTVENHARFS-UHFFFAOYSA-N 394.479 3.812 0 40 GHAB CC(C)(C)c1nc(-c2ccc(NC(=O)CN3CCCCCCC3=O)cc2)no1 65521963 ZTCYVQNCRNFLDZ-UHFFFAOYSA-N 384.480 3.765 0 40 GHAB Cc1ccc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)cc1Cl 14244825 NZRQFQZHFSRPJZ-UHFFFAOYSA-N 378.900 3.786 0 40 GHAB CN(C)C(=O)[C@H](OC(=O)CSc1nc2ccccc2s1)c1ccccc1 5506050 KNOZCBSRNHNMLW-QGZVFWFLSA-N 386.498 3.761 0 40 GHAB C[C@H](Sc1nncn1-c1ccccc1F)C(=O)N[C@@H](C)c1ccc(F)cc1 4890881 OTBVZBMIUCPCHK-STQMWFEESA-N 388.443 3.904 0 40 GHAB O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1C(F)(F)F 5938579 UECXZEJHSPGUGJ-UHFFFAOYSA-N 393.770 3.566 0 40 GHAB C[C@@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1cccs1 7161968 UHFQKVNKGJNLRN-SNVBAGLBSA-N 380.520 3.774 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(OCc2cscn2)cc1 15756659 MOAJEIVUEQWEPS-UHFFFAOYSA-N 397.456 3.941 0 40 GHAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc21 15867518 ZYGYBWLNZJVVBT-UHFFFAOYSA-N 391.880 3.848 0 40 GHAB CN1CCN(c2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)CC1 7643916 ZTRNHTWTWLPBCO-UHFFFAOYSA-N 378.501 3.814 0 40 GHAB Cc1cc(C(=O)Cn2c([C@H](C)O)nc3ccccc32)c(C)n1C[C@H]1CCCO1 16045367 USUWIINVUWQYCV-DLBZAZTESA-N 381.476 3.570 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)c1cc(C3CC3)nn1-c1ccccc1)OCO2 7784884 KURUILPFEGFRPX-UHFFFAOYSA-N 389.411 3.933 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)OCc3cn4cc(Cl)ccc4n3)ccc12 7743744 QSOXOMHJHQYECA-UHFFFAOYSA-N 398.802 3.525 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)ccc12 9387824 BTYUSHQJROTQKL-ACJLOTCBSA-N 381.428 3.855 0 40 GHAB c1cc(-c2noc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)n2)cs1 9315142 DEHANBYDKYNMBW-UHFFFAOYSA-N 386.414 3.869 0 40 GHAB COc1ccccc1-c1noc(C)c1-c1nn2c(-c3ccncc3)nnc2s1 9340329 ONIVHKKVKMNKQN-UHFFFAOYSA-N 390.428 3.887 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccco3)n2)s1 9477818 JXIHPRMBYGLIRD-UHFFFAOYSA-N 375.475 3.672 0 40 GHAB c1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCc3ccccc3C2)cc1 20120921 LPJCTDCOQKMALX-QHCPKHFHSA-N 381.483 3.869 0 40 GHAB Cc1ccc(-n2cc(C(=O)N(C)c3ccc(Br)cc3F)nn2)cc1 97712457 QYIVJJORLBOZGS-UHFFFAOYSA-N 389.228 3.754 0 40 GHAB CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 78934683 WHGBPVQSJJDFCF-MELADBBJSA-N 380.435 3.584 0 40 GHAB O=C(Nc1cccc2ccccc12)C1CCN(c2nnnn2-c2ccccc2)CC1 35312026 CQFZFHJWTMEERG-UHFFFAOYSA-N 398.470 3.671 0 40 GHAB O=C(CCCN1CCCC1)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 72363109 HHSAHFYVMVQBOV-LJQANCHMSA-N 394.519 3.851 0 40 GHAB COCCn1ccc2cc(C(=O)NCCCc3nc4ccccc4[nH]3)ccc21 79479030 PVOBVGIOMUOLDU-UHFFFAOYSA-N 376.460 3.527 0 40 GHAB O=C(Cn1ccc2cc(Br)ccc21)Nc1nnc(C2CC2)s1 71280637 DMVSZIVBVTWCSU-UHFFFAOYSA-N 377.267 3.771 0 40 GHAB COc1ccc(CN2C[C@@H](N(C)C)[C@H](c3cn(C)c4ccccc34)C2)c(OC)c1 72395138 VGSLPMCLWWMHKV-JTHBVZDNSA-N 393.531 3.725 0 40 GHAB COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1COc1cccc(Cl)c1 36624022 AURFSVHFWJKDET-RDJZCZTQSA-N 379.865 3.716 0 40 GHAB N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 72227279 RNIIVAGDINZTNI-KBPBESRZSA-N 396.082 3.627 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)ccc1C 225201626 NWTDTAORIQOQBV-UHFFFAOYSA-N 381.453 3.834 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 223622678 CBCBQWCFXOYFES-LJQANCHMSA-N 382.504 3.707 0 40 GHAB CN(CCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 222602250 KXEPBDRQHFOZAH-HXUWFJFHSA-N 383.511 3.680 0 40 GHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 222842320 VAOSBYCURMFCPS-PMACEKPBSA-N 378.501 3.959 0 40 GHAB CCCCOCc1cc(C(=O)N2CCC(C(=O)OCC)CC2)ccc1OCC 224729864 OEIIABIYBQSVBP-UHFFFAOYSA-N 391.508 3.817 0 40 GHAB COC(=O)c1ccc(OC)c(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 225293802 DHBOYBGRKOBEIS-UHFFFAOYSA-N 393.443 3.596 0 40 GHAB Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)c1 225490825 RAKPFXBPUBNZQK-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB Cc1ccccc1-c1noc(CN(C)C(=O)C2(c3ccccc3)CCOCC2)n1 224552875 ZMOZGSIDJPREEQ-UHFFFAOYSA-N 391.471 3.752 0 40 GHAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)NCc2ccc(F)cc2)n1 225949070 VRSMTDZZNFIZDG-ZIAGYGMSSA-N 387.528 3.893 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc2c(c1)OCCO2 222645562 SQCNZIZNQZYJIW-GOSISDBHSA-N 397.471 3.818 0 40 GHAB Cc1cc(O)c(C(c2ccc(C(C)C)cc2)c2c(O)cc(C)oc2=O)c(=O)o1 85396429 LQTXTUKNRSBLEE-UHFFFAOYSA-N 382.412 3.925 0 40 GHAB Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1N1CCCC1=O 225221604 YFARKNXBRNHVKT-UHFFFAOYSA-N 377.444 3.501 0 40 GHAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(Cn2ccnc2)cc1 224631765 QBRAJQBDMFBDFH-UHFFFAOYSA-N 393.834 3.565 0 40 GHAB Cc1nc(-c2ccc(F)cc2)nc2c1CCN(C(=O)Cc1cccs1)CC2 96254742 ZFBQRMVONOKPRS-UHFFFAOYSA-N 381.476 3.823 0 40 GHAB Cc1nc2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2n1CCCN(C)C 95472805 JIDBOGTUFXHBPQ-UHFFFAOYSA-N 389.503 3.959 0 40 GHAB O=C(COc1ccccc1Cl)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(O)=N2 95472203 OPOZUYWAKYTHDG-MRXNPFEDSA-N 399.834 3.564 0 40 GHAB CCN(C(=O)CN1CCCC[C@@H]1c1cnn(C)c1)c1nc2ccccc2s1 585081357 LGNRBJTWTACYEI-QGZVFWFLSA-N 383.521 3.610 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 538468214 VEXQLJPNWIZMCF-QGZVFWFLSA-N 391.254 3.829 0 40 GHAB CNC(=O)Nc1cccc(C(=O)Nc2ccc3[nH]c(-c4ccncc4)nc3c2)c1 1654800955 SPRLTYFEFFYAKP-UHFFFAOYSA-N 386.415 3.629 0 40 GHAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)Nc1cnn(-c2ccncc2)c1 673864758 XNUQFVNFMNBEPL-UHFFFAOYSA-N 393.838 3.810 0 40 GHAB COc1cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)ccc1Cl 511157945 FAIWTZVWAOIGMO-UHFFFAOYSA-N 391.258 3.760 0 40 GHAB COc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(C)(C)C 5976458 NRTYMTZXSOZYJU-UHFFFAOYSA-N 379.460 3.507 0 40 GHAB NC(=O)c1cc2cc(F)ccc2nc1[C@H]1CCCN(C(=O)CC2CCCC2)C1 13266621 NCGZDIULTWJWSX-HNNXBMFYSA-N 383.467 3.759 0 40 GHAB CC[C@H](C(=O)Nc1cccc(OC(C)C)c1)N(c1ccccc1)S(C)(=O)=O 13711633 PIWRMOPMHMUXMH-LJQANCHMSA-N 390.505 3.657 0 40 GHAB COc1ccc(/C=C/c2nc3s/c(=C/c4ccccc4Cl)c(=O)n3n2)cc1 16807437 ZBAWLMMGVMRVNH-OENGIGCFSA-N 395.871 3.531 0 40 GHAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)C2CC2)C1 19579650 RSWTWAHHDQESTB-DEOSSOPVSA-N 394.490 3.752 0 40 GHAB Cc1noc(C)c1C(=O)Nc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1 19657385 APXUHUYVUZNLHI-UHFFFAOYSA-N 388.431 3.527 0 40 GHAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)Cn3nc(C)nc3C)CC2)n1 19691445 VKMXNRKURVRPPZ-UHFFFAOYSA-N 389.503 3.672 0 40 GHAB Fc1ccccc1-c1ccccc1CN1CCC[C@@H]1c1nnc2n1CCNC2 19705512 XGNGHYCMTRZFCD-HXUWFJFHSA-N 377.467 3.525 0 40 GHAB Cc1ccc(C(=O)Nc2nc3ccc(C(N)=O)cc3s2)cc1N1CCCC1 19716205 ZZZVIKGNJKUFPG-UHFFFAOYSA-N 380.473 3.556 0 40 GHAB CNc1cc(CN(C)Cc2ccc(C(C)C)cc2)nc([C@H]2CCCN2C(C)=O)n1 19759895 WCRVSDRARAGHPS-OAQYLSRUSA-N 395.551 3.957 0 40 GHAB COc1ccc(C)cc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937649 NCSSXBTWSWVPFC-UHFFFAOYSA-N 383.835 3.589 0 40 GHAB COc1cc(NC(=O)COc2ccc(Cl)c(C)c2)cc2sc(NN)nc12 226313353 YIDVGGRKDGODNA-UHFFFAOYSA-N 392.868 3.570 0 40 GHAB O=C(N[C@H](c1cccc(Cl)c1)C1CCCCC1)[C@H]1CC[C@H](C(=O)O)NC1 630687736 IBQHRKWVIHYQJM-JQHSSLGASA-N 378.900 3.530 0 40 GHAB O=c1c2ccc(F)cc2ncn1CC1CCN(Cc2cc(F)ccc2F)CC1 1888965154 QNVUQBHLGNPQJO-UHFFFAOYSA-N 387.405 3.726 0 40 GHAB COc1ccc(CN2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)cc1F 2037984334 XXPQWEIGIUTIJQ-HSZRJFAPSA-N 398.478 3.622 0 40 GHAB COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccccc2Cl)cc1 2711606 IBHVORPLMBUNKL-UHFFFAOYSA-N 396.921 3.642 0 40 GHAB Cc1cc(C)c(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c(C)c1 4270505 WBFBGAHGYJJPLJ-UHFFFAOYSA-N 384.501 3.638 0 40 GHAB CC(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc1 8899988 MBCYCOUOBBVZGC-IBGZPJMESA-N 378.563 3.987 0 40 GHAB CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccn(C)n3)nc12 13667672 WHSCYTJAOIBNDA-UHFFFAOYSA-N 393.472 3.671 0 40 GHAB CN(Cc1ccccn1)[C@@H]1CO[C@]2(CCCN(C(=O)c3cccc(Cl)c3)C2)C1 2055837517 XYLCRIIJIKJPPF-RBBKRZOGSA-N 399.922 3.631 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1cc(-c2ccc(F)cc2F)on1 22768452 BLLKEZOHDVBJHS-UHFFFAOYSA-N 395.365 3.909 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)cc1 1775978560 UDVAFOBLEDNUEW-GOSISDBHSA-N 381.453 3.665 0 40 GHAB COCCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc(OC)ccc21 100873197 WZMLUFFAFUWXMP-VZCXRCSSSA-N 399.497 3.709 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NCc1nccnc1-c1cccs1 575620796 QJVAEBDAXNSQES-UHFFFAOYSA-N 379.894 3.645 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H](Oc2ccncc2Cl)C1 575613505 RJQUFHZEVXTBJF-ONOODXEBSA-N 378.881 3.579 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN=C2SCc2ccccc2Cl)cc1 2711601 IBNIRBTZLYFONQ-UHFFFAOYSA-N 380.922 3.942 0 40 GHAB COc1ccc2cc(C(=O)N3CCC(O)(c4ccccc4C)CC3)n(C)c2c1 12325366 DNHVMRQJBWLADV-UHFFFAOYSA-N 378.472 3.619 0 40 GHAB COc1ccccc1CCNC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 40068738 OZXTWPVSFQYBMX-UHFFFAOYSA-N 376.460 3.613 0 40 GHAB O=C(CCNC(=O)C1CCCC1)Nc1ccccc1N1CCc2sccc2C1 40134150 CYVLDNTVCJJNAD-UHFFFAOYSA-N 397.544 3.946 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C[C@@H]2CCCO2)c(C)c1 1364604 JIXDGUIZPFMSBA-INIZCTEOSA-N 386.521 3.682 0 40 GHAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 31668545 YJTBXXLATYOSPE-UHFFFAOYSA-N 382.844 3.937 0 40 GHAB COC(=O)c1cc(NC(=O)c2cc3c(s2)CCCCC3)cc(C(=O)OC)c1 6377915 XRAZTHTUZNRUMU-UHFFFAOYSA-N 387.457 3.843 0 40 GHAB Cc1ccc(NC(=O)Cc2cccs2)cc1S(=O)(=O)N1CCCCCC1 6449926 ULCIESITPKUHKV-UHFFFAOYSA-N 392.546 3.802 0 40 GHAB CCn1c(=O)n(CC)c2cc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)ccc21 8017431 FMFWLLDJXRRUDU-UHFFFAOYSA-N 394.500 3.687 0 40 GHAB CSCC[C@@H](NC(=O)Cc1c(C)[nH]c2ccccc12)c1nnc2ccccn12 20737944 ZLDVOFOSMGIFRX-GOSISDBHSA-N 393.516 3.672 0 40 GHAB Cc1cc(C(=O)NCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 10314479 ZWLVSQCGIMRZPF-UHFFFAOYSA-N 394.496 3.768 0 40 GHAB COC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1cccc2c(O)cccc12 59842277 OCGLWAJRUGUFMW-UHFFFAOYSA-N 397.861 3.848 0 40 GHAB COc1ccc([C@@H](NC(=O)c2ccc(NC(N)=O)cc2)c2ccccc2)cc1 32721443 LJKPGZVPZBJKSY-FQEVSTJZSA-N 375.428 3.705 0 40 GHAB Cc1ccc(NC(=O)C[S@@](=O)Cc2ccc(F)cc2Br)cc1 32800993 VUQDCZGYAGSHMS-JOCHJYFZSA-N 384.270 3.784 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)CCCc1ccccc1 46404695 JZAGJIXGXAJTHW-UHFFFAOYSA-N 388.533 3.985 0 40 GHAB CCOC(=O)[C@H]1CSCCN1C(=O)c1cc2c(s1)-c1ccccc1CC2 32902929 JTWMMPQWSRZBJV-MRXNPFEDSA-N 387.526 3.634 0 40 GHAB CCOC(=O)c1c(NC(=O)Cc2cnn(-c3ccccc3)c2)sc(C)c1C 32900025 FBDZYLMOISGMTR-UHFFFAOYSA-N 383.473 3.909 0 40 GHAB CCc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(C)cc2)S(C)(=O)=O)cc1 20481024 KWVGOJXWQNEHQC-FQEVSTJZSA-N 388.533 3.591 0 40 GHAB COc1ccc(/C=C2\N=C3SCN(c4ccc(F)cc4)CN3C2=O)cc1OC 12324863 CMOWMNFTWPZFGO-SXGWCWSVSA-N 399.447 3.550 0 40 GHAB O=C(Cn1cnc2sccc2c1=O)OCc1ccc(-c2ccccc2)cc1 22878081 RVUKKPZUFGEZAQ-UHFFFAOYSA-N 376.437 3.868 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)CNc2ccc3c(C)cc(=O)oc3c2)c1 102815478 LZYIVPRIHQUQCL-UHFFFAOYSA-N 396.443 3.949 0 40 GHAB CCC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1ccccc1OC 3028914 IYQGTJWDLAMAKB-LAUBAEHRSA-N 378.428 3.514 0 40 GHAB C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12557057 JGRAXBLMPRJTSP-CQSZACIVSA-N 376.453 3.641 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)cc1 101494460 UHWOZGZKIIGQQR-IYBDPMFKSA-N 389.496 3.915 0 40 GHAB CCC(=O)OC1C[C@H]2CN(C(=O)c3ccccc3)C[C@@H](C1)C21SCCS1 12559546 QLZGEGMXFOQDIU-SJPCQFCGSA-N 391.558 3.667 0 40 GHAB O=C1Nc2ccccc2O[C@H]1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 24581556 LULWIZYNOUOKCQ-RDJZCZTQSA-N 393.468 3.750 0 40 GHAB CC(=O)NCC1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 47773690 MHEOAXXKYWBOEV-GFCCVEGCSA-N 396.413 3.665 0 40 GHAB CCOc1ccc(-c2nc3s/c(=C/c4ccc(C(C)C)cc4)c(=O)n3n2)cc1 34860198 XPJCTYXNSVXZJY-CPNJWEJPSA-N 391.496 3.888 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)Cc2c(F)cccc2Cl)c1 23528595 BRMRMKOJEKZNAK-UHFFFAOYSA-N 391.830 3.668 0 40 GHAB O=C(COC(=O)c1ccc(Br)o1)Nc1ncc(Cl)cc1Cl 3258830 WAVYHQRQRNBQCU-UHFFFAOYSA-N 394.008 3.539 0 40 GHAB O=C(NCCN1CCOCC1)c1ccccc1Nc1cccc(C(F)(F)F)c1 57359944 GUTCFNIGIGYROP-UHFFFAOYSA-N 393.409 3.511 0 40 GHAB O=C1c2ccccc2N[C@@H](c2ccc(OCCN3CCCC3)cc2)N1C1CC1 27215835 LHKQXVIHPVMMSW-JOCHJYFZSA-N 377.488 3.890 0 40 GHAB COc1ccc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc1 306130655 JMHUQNWDQOTQOP-IBGZPJMESA-N 391.519 3.718 0 40 GHAB Cc1c(C(=O)N2CCC(NC(=O)c3ccncc3)CC2)sc2ccccc12 58166049 KAWVUPBWILUQGK-UHFFFAOYSA-N 379.485 3.639 0 40 GHAB CC(C)[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 10493876 BYOZYYDGVPJOQR-OAQYLSRUSA-N 379.504 3.988 0 40 GHAB CCn1c(NC(=O)c2ccc(OCc3noc(C)n3)cc2)nc2ccccc21 10652372 LIDLIBPDASIOHH-UHFFFAOYSA-N 377.404 3.579 0 40 GHAB CC(C)n1ncc2cc(C(=O)O[C@@H](C(=O)N3CCCC3)c3ccccc3)cnc21 10714519 NEEKYHKUNJOQCW-LJQANCHMSA-N 392.459 3.533 0 40 GHAB Cc1cc(C)c2oc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc(=O)c2c1 2328072 VHQWGGCEESTCGZ-UHFFFAOYSA-N 396.468 3.701 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3C)C2)s1 12819749 AYNQLBHZAMLZOQ-MRXNPFEDSA-N 392.546 3.713 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(-c2ccncc2)nc2ccccc12 12831969 OAWKXUYRALBLOH-UHFFFAOYSA-N 381.395 3.719 0 40 GHAB CC1CCC2(CC1)NC(=O)N(Cc1ccc(C(=O)Nc3ccccc3)cc1)C2=O 3438241 KCGIDZJQWUBNDY-UHFFFAOYSA-N 391.471 3.940 0 40 GHAB COc1cc(NC(=O)CSc2nc3ccccc3nc2C)cc(OC)c1OC 12947087 KCOOBTDONVJCDJ-UHFFFAOYSA-N 399.472 3.695 0 40 GHAB CC(C)C(=O)Nc1cccc(CNC(=O)c2ccccc2Br)c1 12980717 SOXFDRXPJKERKM-UHFFFAOYSA-N 375.266 3.974 0 40 GHAB Cc1nc(-c2ccc(NC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)cs1 12901179 ISTDBAIXWICGTH-UHFFFAOYSA-N 393.390 3.938 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1C 3569218 HDISRBMNPSSZHA-JOCHJYFZSA-N 395.480 3.967 0 40 GHAB O=C(NC1CCCCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3566953 HDXFKGCPHBJKNI-UHFFFAOYSA-N 378.538 3.704 0 40 GHAB C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc2c(c1)OCCO2 13022561 AGOJSLIRSXPBHA-JTQLQIEISA-N 396.212 3.765 0 40 GHAB COc1cc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c(OC)cc1Cl 13006611 AEFNIUCULRHWHC-UHFFFAOYSA-N 390.802 3.638 0 40 GHAB O=C(NCc1cccc(CN2CCCC2)c1)NC[C@H]1CCN(c2ccccc2)C1 48957299 PTAFUDWVMUGZKC-JOCHJYFZSA-N 392.547 3.608 0 40 GHAB Cc1ccccc1NC(=O)CSc1nnnn1-c1ccc2ccccc2c1 5015289 YFITUKLQYYFGPG-UHFFFAOYSA-N 375.457 3.855 0 40 GHAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)c4cccs4)c(=O)c23)C1 5183068 DVCLFJBEZCZBSM-LLVKDONJSA-N 387.530 3.948 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c1C 13944821 AVSRXWHASAKNDK-QGZVFWFLSA-N 393.462 3.954 0 40 GHAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(CN2CCOCC2)cc1 18086727 ABFYVCQMZUJENQ-UHFFFAOYSA-N 379.485 3.895 0 40 GHAB CCOCCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 4664543 JIUSEBDGEGFCHS-JOCHJYFZSA-N 398.528 3.617 0 40 GHAB CCOc1ccc([C@@H]2SC[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)N23)cc1 4738660 KMNWCZQLLKDOAX-HKUYNNGSSA-N 384.457 3.677 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1F)N1CCC(c2nc3ccccc3[nH]2)CC1 14729131 LTKQIRHUMUVTCT-UHFFFAOYSA-N 393.871 3.924 0 40 GHAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1 5734810 ZIUBEHUJKNKJAL-HNNXBMFYSA-N 391.464 3.918 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nn3cnnc3s2)cc1 4815473 WRXMZOXAZHYKNM-UHFFFAOYSA-N 385.836 3.767 0 40 GHAB COc1ccc2nc(SCC(=O)Nc3ncc(Br)s3)[nH]c2c1 4999543 PQQWHSHPLMWZCH-UHFFFAOYSA-N 399.295 3.521 0 40 GHAB CNc1nnc(S[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 7102237 WHOCIERYOMSMEJ-GFCCVEGCSA-N 377.539 3.689 0 40 GHAB Cc1nc(S[C@H](C)C(=O)Nc2cccc(F)c2)n(C[C@H]2CCCO2)c1C 18596376 QDBZVKUXSRQLFA-RHSMWYFYSA-N 377.485 3.937 0 40 GHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O 8891458 UUATZJNKNCRXAX-QHCPKHFHSA-N 394.446 3.745 0 40 GHAB O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccccc1Oc1ccccc1 8850554 MYRPNILIZDLGJO-UHFFFAOYSA-N 378.428 3.737 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 9198978 RAYSSWBMZZKCSQ-AWEZNQCLSA-N 399.853 3.990 0 40 GHAB O=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1cc(F)ccc1F 9220417 NPGVAWVJIIYRNM-UHFFFAOYSA-N 385.370 3.538 0 40 GHAB C[C@@H](NC(=O)COc1ccc(-n2cnnn2)cc1)c1ccc(-c2ccccc2)cc1 9389364 QUVUWIQRVQHORG-QGZVFWFLSA-N 399.454 3.586 0 40 GHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)c(OC)c1 9320940 ZZWMXRCKRZQSLH-HNNXBMFYSA-N 393.443 3.891 0 40 GHAB COc1ccc(C(=O)CSc2nc3ccccc3c3nc(C)nn23)cc1OC 9483262 FLLVFLRZZOWQRM-UHFFFAOYSA-N 394.456 3.578 0 40 GHAB CC(C)C[C@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(=O)O 9531377 QPPVNMUFAGMVKR-HNNXBMFYSA-N 375.494 3.685 0 40 GHAB C[C@H](Sc1ncnc2sc3c(c12)CC[C@@H](C)C3)C(=O)NC[C@@H]1CCCO1 9643456 GBRAFFJMSGOOER-AGIUHOORSA-N 391.562 3.592 0 40 GHAB Cc1ccc(Cn2nccc2NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)o1 84195460 OXFDSKRMLPPSHQ-IBGZPJMESA-N 381.432 3.643 0 40 GHAB CC(C)(C)c1nc(CC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)cs1 84284785 MSTVJLRTIZGWAV-UHFFFAOYSA-N 383.521 3.615 0 40 GHAB COCCn1ccc2c(NC(=O)Cc3csc(-n4cccc4)n3)cccc21 72401536 KRMJAOASHXUMPU-UHFFFAOYSA-N 380.473 3.716 0 40 GHAB CC[C@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 95406050 JYLOSAYDLFTCDR-LEWJYISDSA-N 398.551 3.793 0 40 GHAB C[C@@H](NC(=O)C(C)(C)CN1CCn2ccnc2C1)c1cccc2ccccc12 95465102 PNBHXPVZVGCWPP-QGZVFWFLSA-N 376.504 3.756 0 40 GHAB COc1cc(Br)c(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1OC 95997185 QTVSEPITZHHBAR-ZFWWWQNUSA-N 386.330 3.695 0 40 GHAB Cc1cccc(F)c1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 95993528 SKCUXPFHEYUQCY-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB COc1cc(CO)cc(I)c1OCc1ccc(F)cc1 409029798 BMQKTRBDQOIMKU-UHFFFAOYSA-N 388.176 3.510 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1cnc2onc(C(C)C)c2c1 37163796 ITHJWOQCPXUOTH-UHFFFAOYSA-N 399.422 3.691 0 40 GHAB COC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)oc2=S)cc1 409151595 HXXQNDWMPIVGNT-UHFFFAOYSA-N 383.429 3.606 0 40 GHAB CC(C)c1nnc(NC(=O)CCCCCn2cnc3ccccc3c2=O)s1 36358881 FEIYFKKNVYHXTB-UHFFFAOYSA-N 385.493 3.571 0 40 GHAB Cc1nn([C@H](C)c2nn3c(-c4cccs4)nnc3s2)cc1Br 36357949 HXLWDJOZAYQVDG-MRVPVSSYSA-N 395.311 3.791 0 40 GHAB CC(C)CC(=O)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1 33068217 PMRDNOXGEHRCEG-UHFFFAOYSA-N 385.851 3.912 0 40 GHAB COc1ccc(-n2cccc2/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1 33761022 UJDCYEGBZYDWKP-LDADJPATSA-N 391.383 3.581 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)no2)cc1OC 46086504 NDTKYIXWQMGJRD-UHFFFAOYSA-N 388.449 3.661 0 40 GHAB COc1cccc(-c2noc(CNC(=S)Nc3c(F)cccc3F)n2)c1 225822528 HCLOVRDKAMKSEV-UHFFFAOYSA-N 376.388 3.510 0 40 GHAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(C)c(C(=O)O)c2)c2ccccc12 226858380 UKFNJWYGKGVBIC-UHFFFAOYSA-N 399.424 3.573 0 40 GHAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c1 223863255 BNRPCCFFXJEXQD-UHFFFAOYSA-N 388.272 3.567 0 40 GHAB Cc1ccc(C(=O)N2CCC(C)CC2)cc1N(C)S(=O)(=O)c1ccccc1 224290281 BYEJHXMASNIEQN-UHFFFAOYSA-N 386.517 3.692 0 40 GHAB C[C@H]1CCc2c(sc3ncnc(N(C)Cc4nnc5n4CCCCC5)c23)C1 48275212 VSRCNTVITLMARK-ZDUSSCGKSA-N 382.537 3.770 0 40 GHAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 222905615 LKBCARSPIGGPER-VQTJNVASSA-N 377.517 3.896 0 40 GHAB CCN(C(=O)Cn1c([C@H]2CCCN2C(C)=O)nc2ccccc21)c1ccccc1 82086750 XJXUEVMGOYNEQM-OAQYLSRUSA-N 390.487 3.773 0 40 GHAB CCc1cc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC 223272819 QGSWOETWVUTWBU-UHFFFAOYSA-N 375.475 3.577 0 40 GHAB CN(CCOc1ccc(F)cc1)C(=O)[C@@H]1CC(c2ccccc2Cl)=NO1 141580873 MDWULBWJTNHRCV-SFHVURJKSA-N 376.815 3.510 0 40 GHAB COc1cccc(-c2noc(CNC(=O)[C@@H](C)SCc3ccccc3)n2)c1 95481665 YEPMIFKZIDCUSY-CQSZACIVSA-N 383.473 3.683 0 40 GHAB CCCCOc1ccc(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cc1 77101095 KPGUQKHNLJZNIV-UHFFFAOYSA-N 381.398 3.955 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)c1nnn(-c2ccccc2)n1 77100293 DCCFWIBAUFMJSJ-UHFFFAOYSA-N 383.455 3.614 0 40 GHAB Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1nn2c(c1C)OCCC2 577458136 VCEOBAAJLLGRQR-GOSISDBHSA-N 391.475 3.657 0 40 GHAB COc1ccc(CN2CCC3(CC2)CCN(C(=O)c2cscn2)CC3)cc1 96047289 LROCNQDMTDBHBE-UHFFFAOYSA-N 385.533 3.670 0 40 GHAB O=C(c1ncccn1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257232633 GLSSFUFKFKWYNW-OAHLLOKOSA-N 382.851 3.729 0 40 GHAB Fc1ccc(OC(F)F)cc1-c1noc([C@H]2COCCN2C2CCCC2)n1 585085724 FMQCSPYOOPTGBY-OAHLLOKOSA-N 383.370 3.793 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H]2CCc2cnc(-c3c(C)noc3C)cn2)cn1 257235262 GXCJMBIDKJGAFK-IBGZPJMESA-N 391.475 3.689 0 40 GHAB CC(=O)N1[C@@H]2CN(C(=O)c3[nH]c4ccc(F)cc4c3C)[C@@H]3CCC[C@H]1[C@]3(C)C2 257338636 YYGXMCKNOXASQP-TUXJCPBXSA-N 383.467 3.619 0 40 GHAB CO[C@@H]1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@]12CCCO2 257342947 ZQSPALMKDWGTAN-FYYLOGMGSA-N 396.487 3.687 0 40 GHAB CC(C)(C)n1cc([C@H]2N(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC23CCOCC3)cn1 606445056 QESUEVBCQFRAMU-XUVXKRRUSA-N 394.519 3.517 0 40 GHAB CO[C@](C)(C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1)C(=O)OC(C)(C)C 596893932 JNRGIILRJLWZMN-LJQANCHMSA-N 394.468 3.943 0 40 GHAB COCCn1nc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccco1 90607028 NLZKDXBQRNEXOU-UHFFFAOYSA-N 393.365 3.738 0 40 GHAB Cc1c(C(=O)N2CC3(C[C@@H](OCc4ccccn4)CCO3)C2)oc2ccccc12 575402788 CSVWURNJIJFQGC-SFHVURJKSA-N 392.455 3.727 0 40 GHAB Fc1ccc(-c2cnc(Nc3ccc(C[C@H]4CNCCOC4)cn3)s2)cc1 585262797 GUBJKJHQPQGEOV-HNNXBMFYSA-N 384.480 3.866 0 40 GHAB Cc1cc(N(C)C)ccc1NC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 46015152 PWJRPGOCNFSFJK-UHFFFAOYSA-N 381.476 3.893 0 40 GHAB O=C(c1ccccc1)C1CCN(C(=O)c2csc(-c3ccccn3)n2)CC1 65487483 QVZYDCCZIJFGPO-UHFFFAOYSA-N 377.469 3.940 0 40 GHAB Cc1cccc(CC(=O)N2CCC(COc3cc4c(nn3)CCCC4)CC2)c1 1565523311 KCTVLAKDSPVTOI-UHFFFAOYSA-N 379.504 3.524 0 40 GHAB O=C(N[C@@H](CO)c1nc(-c2ccccc2)no1)c1cc2c(ccc3ccccc32)[nH]1 672045727 SLGPVUCAAUHTPZ-FQEVSTJZSA-N 398.422 3.835 0 40 GHAB Cc1ccnn1CCC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615161012 VDRGTUGRJIPQEK-PMACEKPBSA-N 384.499 3.769 0 40 GHAB COc1cc(OC)cc(N2CC[C@H](NC(=O)NCc3cccc4occc34)C2)c1 1548449278 YOORNYUTZCOBSY-INIZCTEOSA-N 395.459 3.528 0 40 GHAB C[C](c1ccccn1)N(C)C(=O)c1cc(COc2cccc(C(C)=O)c2)on1 1560405372 POVCAZSAJJXGKA-UHFFFAOYSA-N 378.408 3.523 0 40 GHAB CCCCOC(=O)c1ccc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 5375298 YKYFTTQVLHXRRY-IBGZPJMESA-N 385.416 3.942 0 40 GHAB CCCSc1nnc2c(n1)O[C@H](c1cccnc1)N(C(C)=O)c1ccccc1-2 5736013 NOBLBGJPHXLBLU-LJQANCHMSA-N 393.472 3.880 0 40 GHAB CCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)c1 5980544 LCKCDKXCWWCMHX-UHFFFAOYSA-N 396.468 3.964 0 40 GHAB Cc1ccc(C)n1NC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2)cc1 12774034 QNZOIAGHQWWPTD-QGZVFWFLSA-N 377.444 3.895 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1F 12997841 HZXXAXVCVNZDMJ-UHFFFAOYSA-N 378.447 3.946 0 40 GHAB O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 13606682 ISUCMVGSTCUVCH-UHFFFAOYSA-N 383.839 3.744 0 40 GHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl 14097706 WYKPSGYOZLXUAL-UHFFFAOYSA-N 378.881 3.978 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccccc1F)S(C)(=O)=O 14412730 ALHXGLFYYNZSMF-UHFFFAOYSA-N 378.469 3.662 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2cc3ccccc3cc2O)n1CC 18099782 VVRVXVFZSWROHR-UHFFFAOYSA-N 384.505 3.784 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3Cc3cnc(C)nc3)cc2n1 19116741 USYOTFUIWUCHSM-INIZCTEOSA-N 390.413 3.882 0 40 GHAB COc1ccc(-c2csc(NC(=O)Cn3ccnc3C(C)C)n2)cc1OC 19454437 WXVJRIWXZVSVMR-UHFFFAOYSA-N 386.477 3.786 0 40 GHAB COc1cccc([C@@H](NC(=O)c2cc(C(F)(F)F)[nH]n2)c2ccccc2)c1 19564946 DEXJKKOWCDKPLF-KRWDZBQOSA-N 375.350 3.957 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(F)c1 19570975 YNJSXCIORVLNDN-IBGZPJMESA-N 379.435 3.887 0 40 GHAB Cc1cc(N2CCC([C@@H]3CC=CCN(C)C3=O)CC2)nc(-c2ccccc2)n1 19698496 SUGYCYZORVUFKS-FQEVSTJZSA-N 376.504 3.703 0 40 GHAB Fc1ccccc1-c1ccccc1CN1CCC[C@@H]1c1nnc2n1CCNCC2 19706394 XAMGKNRAHIWBLD-OAQYLSRUSA-N 391.494 3.567 0 40 GHAB O=C(NC[C@@H]1CCCOC1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12337851 KMTCTLCEPWVQEE-IBGZPJMESA-N 394.515 3.631 0 40 GHAB CC(C)c1ccc(C(=O)C[C@@H](C(=O)O)N2CCN(Cc3ccccc3)CC2)cc1 19798950 LOADGWRGXBJSDK-QFIPXVFZSA-N 394.515 3.654 0 40 GHAB Cc1ccsc1S(=O)(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 1260065780 XEGBRVAKUHGUQO-RBUKOAKNSA-N 391.558 3.857 0 40 GHAB CC(C)C(=O)OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O 4031751 BIWVOIRIVHHXAJ-UHFFFAOYSA-N 394.471 3.625 0 40 GHAB Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3[C@H]4C=CC[C@H]3CC4)cc2)c1 208017928 XCKTUXUPSANTTB-OALUTQOASA-N 382.485 3.729 0 40 GHAB COCC(=O)N1CCCc2ccc(NC(=O)/C=C/c3ccccc3Cl)cc21 49505820 FDQWANKDUMULEV-PKNBQFBNSA-N 384.863 3.918 0 40 GHAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)n1 585147249 GWDUANXPYWRFJS-MRXNPFEDSA-N 379.382 3.796 0 40 GHAB Cc1cc2nc(C3CCN(Cc4cn(C)c5ccc(F)cc45)CC3)cc(N)n2n1 12121587 GWDFPPXOTWSKOS-UHFFFAOYSA-N 392.482 3.630 0 40 GHAB CCCC(=O)Nc1sc(C(=O)Nc2ccccc2F)c(C)c1C(=O)OC 676497 SEHDUJQIIWAZTD-UHFFFAOYSA-N 378.425 3.973 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 791947 BQUHNPPZIAYUBD-OAHLLOKOSA-N 392.908 3.688 0 40 GHAB CCCC(=O)Nc1sc(C(=O)Nc2ccccc2OC)c(C)c1C(=O)OC 871246 APOOPYZEVHKODL-UHFFFAOYSA-N 390.461 3.843 0 40 GHAB O=C1Nc2cc(F)ccc2[C@]12CC(O)=Nc1c2cnn1Cc1ccccc1Cl 32093042 NNZCMHHJWLZHAS-FQEVSTJZSA-N 396.809 3.954 0 40 GHAB COCCN(C(=O)COc1ccccc1)c1nc(-c2ccc(OC)cc2)cs1 4169360 KSTQUPUEKIKURD-UHFFFAOYSA-N 398.484 3.877 0 40 GHAB O=C(c1ccccc1)N1CC(=O)N(OCc2ccccc2)[C@H]1c1cccs1 4536079 AFNIYLUZGOLGGU-FQEVSTJZSA-N 378.453 3.863 0 40 GHAB COc1cc([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)OC3)ccc1O 4944681 CLUNZTXRJOLUSW-AWEZNQCLSA-N 399.830 3.694 0 40 GHAB CCc1cc(I)ccc1NC(=S)NC(=O)CC(C)C 6243577 PADXORRLWUCTCY-UHFFFAOYSA-N 390.290 3.713 0 40 GHAB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)C(C)(C)C)C2=O)cc1C 7575816 BLMNNTLIDSCYCT-HSZRJFAPSA-N 378.472 3.714 0 40 GHAB O=C1Nc2ccc(F)cc2[C@]12CC(O)=Nc1c2cnn1Cc1ccccc1Cl 32106481 QLGLANKGKDCJGI-FQEVSTJZSA-N 396.809 3.954 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1 8033528 HYPXBSQINLRWKK-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB COc1cc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1OC(F)F 8057940 LZKKGCBNBZCCSI-UHFFFAOYSA-N 397.443 3.654 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 8708519 UABNUPHPGIETBQ-MRXNPFEDSA-N 380.517 3.865 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1F)c1cccc(Cl)c1 8810271 USGKDSKMDPOSNU-UHFFFAOYSA-N 396.871 3.906 0 40 GHAB CCc1ccccc1N1C[C@@H](C(=O)N(C)Cc2nc3ccccc3s2)CC1=O 32740984 KSPUOJMLSKDZBM-INIZCTEOSA-N 393.512 3.870 0 40 GHAB CN(CCCNC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 32795489 OTORHDKAXFIOAD-UHFFFAOYSA-N 379.504 3.817 0 40 GHAB Cc1nc(C)c(CCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c(=O)[nH]1 32842969 IKFVOVOGTUHOTL-LJQANCHMSA-N 399.541 3.617 0 40 GHAB O=C(NC1C2CC3CC(C2)CC1C3)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 103150748 GANIKCINJQMYPH-ZSDOUXLKSA-N 380.536 3.515 0 40 GHAB O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1cc(Cl)cc(Cl)c1 32927456 FSGFYXDGKHGOPK-UHFFFAOYSA-N 382.272 3.658 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 20485748 YPMXVPADDAYKLJ-OXHGWOFKSA-N 394.515 3.710 0 40 GHAB CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2ccc(C(C)(C)C)cc2)c1C 24022571 SAUCDLQCQSADRG-UHFFFAOYSA-N 391.537 3.516 0 40 GHAB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccc2ccccc12 20637659 ZAFOCJUYJMKFGN-WOJBJXKFSA-N 385.423 3.910 0 40 GHAB O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CCOc2ccccc21 106576150 YPKZXKSDFJXRBE-CTNGQTDRSA-N 379.504 3.722 0 40 GHAB Cc1cccc2nc(COC(=O)c3csc(-c4ccsc4)n3)cc(=O)n12 25187966 FFBGGVPBFBKNGQ-UHFFFAOYSA-N 383.454 3.545 0 40 GHAB COc1ccc(S[C@H](C)C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1OC 20456211 AFWAYDLARAHQEL-IXDOHACOSA-N 394.581 3.669 0 40 GHAB C[C@H](S[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1)C(=O)NC1CC1 56229999 RTASUKSPDOELNG-ZJUUUORDSA-N 389.502 3.706 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)c1 24356743 WPKMZIOJVLAAJJ-UHFFFAOYSA-N 396.511 3.720 0 40 GHAB CCn1nc(C)c2c(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)cc(C)nc21 28306310 QHXUYOHHCBMGNP-UHFFFAOYSA-N 392.438 3.704 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)cc1 3244635 WFCWDOPHSOBFMB-UHFFFAOYSA-N 397.761 3.590 0 40 GHAB CCOc1ccc(Oc2ccc(Cl)cc2NCC(=O)NCCOC)cc1 10032045 CXPKWWMNASIFQW-UHFFFAOYSA-N 378.856 3.706 0 40 GHAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(Cl)cc1Cl 2247410 IHXBUPHBLFXUTA-OQPBUACISA-N 385.272 3.815 0 40 GHAB Cc1cc(SCC(=O)OCc2nc3ccccc3c(=O)[nH]2)nc2ccccc12 3314548 FNGQIKCYMWPNNR-UHFFFAOYSA-N 391.452 3.615 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)Cc1coc2cc(C)ccc12 3427532 PGPOPLYQVBCPDU-UHFFFAOYSA-N 397.427 3.831 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCc1nc2ccccc2s1 12981015 SGMZNTRRZOGRAO-UHFFFAOYSA-N 399.491 3.533 0 40 GHAB Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)no1 3568537 DKLDRKUHWBBTKS-UHFFFAOYSA-N 392.868 3.658 0 40 GHAB Cc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3554181 RPFPCORQZQAIBS-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB COc1ccc(C)cc1[C@H](C)NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 8128381 NXVXBZNWOGEPMC-AWEZNQCLSA-N 395.908 3.698 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)no2)cc1F 27580143 WNTNAPHBRGWLRT-UHFFFAOYSA-N 379.435 3.747 0 40 GHAB C[C@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 8225326 WRCASDGUTPZVFF-YKWSONSWSA-N 379.865 3.763 0 40 GHAB CN(C)[C@@H](CNC(=O)CSc1nccn1-c1cccc(F)c1)c1ccccc1 8230587 BQHKKGMLYMALFL-IBGZPJMESA-N 398.507 3.523 0 40 GHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cnn(Cc2ccccc2)c1 8278726 GNWCVYAHFGSTDP-UHFFFAOYSA-N 397.862 3.676 0 40 GHAB O=C(/C=C/c1cnccn1)OCc1c(Cl)nc(Cl)n1-c1ccccc1 64808028 SXVPDOVCAVEPAO-VOTSOKGWSA-N 375.215 3.726 0 40 GHAB Cc1ccc(C)c(OCCCN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1 8328329 YIPVOPZRSIWEOW-QHCPKHFHSA-N 378.472 3.856 0 40 GHAB Cc1nn(C)c2nc(C3CC3)cc(-c3nnc(S)n3Cc3ccccc3)c12 17077034 FOOBLNDBGALDQC-UHFFFAOYSA-N 376.489 3.750 0 40 GHAB O=C(Nc1cc(F)ccc1F)c1nn(Cc2ccccc2)c(=O)c2ccccc12 6495965 PNFXICDDUDGOJS-UHFFFAOYSA-N 391.377 3.975 0 40 GHAB CCCOc1c(Cl)cc(C(=O)N(CC(N)=O)c2ccccc2)cc1OCC 14197768 WNLWRURGYFCUSE-UHFFFAOYSA-N 390.867 3.660 0 40 GHAB COc1ccc(CNC(=O)CCc2c(C)c3ccc(OC)c(C)c3oc2=O)cc1 4743536 ORVIJFNVKALLAZ-UHFFFAOYSA-N 395.455 3.676 0 40 GHAB CN1CCN(C(=O)CCCSc2ccccc2)c2nc3ccccc3nc21 14901057 NUOWCXVRWLFTBJ-UHFFFAOYSA-N 378.501 3.985 0 40 GHAB C/C=C/c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c(OC)c1 4901764 MWEVDRUGEAJZJS-ONEGZZNKSA-N 382.460 3.582 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 5958321 ZHAXSCVCFXDMMR-SNVBAGLBSA-N 379.243 3.710 0 40 GHAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(C)Cc1ccc(Cl)c(Cl)c1 15449611 VZZXYAVYWDDRNK-LBPRGKRZSA-N 395.286 3.859 0 40 GHAB C[C@H](NC(=O)N1CCc2cc(F)ccc2C1)c1nc(Cc2ccccc2)no1 92287355 TTXRAAGXJNOASW-AWEZNQCLSA-N 380.423 3.628 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)/C=C/c1cnn(-c2ccccc2)c1 9217096 SCJKTPCOLPYJAA-OUKQBFOZSA-N 397.482 3.789 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)cc1 9874718 SCPDOGZIWPVECH-UHFFFAOYSA-N 380.536 3.560 0 40 GHAB O=C(C[C@H]1OCCc2ccsc21)NCCc1cc(Cl)c2c(c1)OCCO2 89885378 OGCOAYLEBLKJRD-MRXNPFEDSA-N 393.892 3.536 0 40 GHAB CCCC[C@@H](C(N)=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 72308281 DSLJCBIQYIDVQR-SFHVURJKSA-N 376.451 3.578 0 40 GHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N[C@H]1C[C@@H]1c1cccc(F)c1 84372266 XBDWYXIHXSXBAV-WBVHZDCISA-N 390.842 3.996 0 40 GHAB Cc1cc2nc(C(=O)N3CCc4[nH]c5c(Cl)cccc5c4C3)cc(C)n2n1 77387380 DLMYHXSYWKMDAB-UHFFFAOYSA-N 379.851 3.679 0 40 GHAB COc1ccc(C)cc1-c1csc(NC(=O)c2ncn(-c3ccccc3)n2)n1 95982520 QNACNEXDXLHAOV-UHFFFAOYSA-N 391.456 3.960 0 40 GHAB Clc1ccc(Br)c(CNCc2ccc(-n3cncn3)cc2)c1 95962129 JRLJKWRRGKTNAB-UHFFFAOYSA-N 377.673 3.973 0 40 GHAB COC(=O)[C@@H](CN1C(=O)c2ccccc2C1=O)Sc1ccc2ccccc2c1 89396146 USEDIDDBCQJUEV-LJQANCHMSA-N 391.448 3.770 0 40 GHAB CC(C)Oc1ccc(NC(=O)NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 79101086 OJEFSUNGQGPFME-IBGZPJMESA-N 395.503 3.687 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)NC(C)C 408601011 DLRBRCWMJJIHMV-UHFFFAOYSA-N 384.860 3.727 0 40 GHAB CCc1ccc2nc(NC3=NCN(Cc4ccccc4Cl)CN3)nc(C)c2c1 20634363 CMXMWDBXSACCJR-UHFFFAOYSA-N 394.910 3.942 0 40 GHAB O=C(O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O 409144888 ONMNLGKLPOVJPC-CXUHLZMHSA-N 387.388 3.526 0 40 GHAB Cc1ccc(CNC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C)nc32)cc1 36612460 IHXHSAOQALWHOW-UHFFFAOYSA-N 376.382 3.692 0 40 GHAB Cc1cc(C)cc(Cc2c(C)nc(N3CCN(c4ccccc4)CC3)[nH]c2=O)c1 4626397 OOIOCTIFESICLL-UHFFFAOYSA-N 388.515 3.613 0 40 GHAB COc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)c(OC)c1 32609721 ZNZSEGINWROVBH-UHFFFAOYSA-N 383.423 3.957 0 40 GHAB CN1CCC(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)CC1 72350392 CPUYRIUGWRJGPF-UHFFFAOYSA-N 377.532 3.720 0 40 GHAB Cc1ccnn1CCC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 72362545 YRFROGNFYJYZKN-SFHVURJKSA-N 391.475 3.570 0 40 GHAB O=C(NCCCN1CCCCC1)c1ccc(CN2CCc3ccccc32)cc1 38754460 RKCMTIGVZZJAKA-UHFFFAOYSA-N 377.532 3.855 0 40 GHAB Cc1nn(C)cc1CN1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 72371466 CNAICARGPPTTLQ-MRXNPFEDSA-N 399.926 3.716 0 40 GHAB Cc1ccc2cc(CNc3ccc(N4CCOCC4)c(Cl)c3)c(=O)[nH]c2c1 72396072 XMSFAZIQZGPARH-UHFFFAOYSA-N 383.879 3.939 0 40 GHAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 72346024 WZMLSWMBGWFMFZ-INIZCTEOSA-N 393.878 3.794 0 40 GHAB CCOc1ccc(-c2noc(CNC(=O)CCc3ccc(OC)c(C)c3)n2)cc1 222664026 ZWGCBTDMZMCRLN-UHFFFAOYSA-N 395.459 3.701 0 40 GHAB CC1CCN(CCCNC(=S)Nc2ccc(Br)cc2F)CC1 225436559 ACGDAELAMSJEGM-UHFFFAOYSA-N 388.350 3.997 0 40 GHAB CCNC(=S)Nc1nc(N2Cc3ccccc3C2)cc(N2CCC[C@@H](C)C2)n1 225882772 TXAPJGAHXJOVHO-OAHLLOKOSA-N 396.564 3.539 0 40 GHAB COc1cc(CNC(=S)Nc2ccc(OC(C)C)cc2)cc(OC)c1OC 225574009 XOCUEHPJTRYWBC-UHFFFAOYSA-N 390.505 3.986 0 40 GHAB CN(Cc1ccc(C(=O)NC(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 224429502 PIVDFOVNBQSKCZ-UHFFFAOYSA-N 394.924 3.689 0 40 GHAB CN1C(=O)CCc2cc(NC(=O)CCc3ccccc3Br)ccc21 96103552 WRXBNDUHMZBHOA-UHFFFAOYSA-N 387.277 3.929 0 40 GHAB O=C1C[C@@H](c2cccc3nccnc23)c2c(ccc3nn(-c4ccccc4)nc23)N1 96117063 HQRCNDNBNFIIEI-INIZCTEOSA-N 392.422 3.838 0 40 GHAB CCN(CC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)Cc1ccc(OC)c(OC)c1 245237687 QWTSPDUROWFVSL-DHJUGAMNSA-N 388.552 3.857 0 40 GHAB COC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257348812 JBYDGFJFASWXRX-RUPHGWNMSA-N 392.536 3.865 0 40 GHAB C[C@H]1C[C@@H]1C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1 257235873 GZXFRRPTUHVIMB-YJBOKZPZSA-N 382.529 3.708 0 40 GHAB CCCC(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2cc(C)no2)CC1 257231500 GGZASFKCADMLMI-WKILWMFISA-N 385.512 3.696 0 40 GHAB COC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 257348811 JBYDGFJFASWXRX-AGJDFVHWSA-N 392.536 3.865 0 40 GHAB O=C(N[C@H]1CCc2c(O)cccc21)c1nn(-c2ccc(F)cc2)c2c1CCC2 590405766 DOAGSIMTQCAVLG-SFHVURJKSA-N 377.419 3.623 0 40 GHAB COc1ncc(Br)cc1CNC(=O)Nc1cccc(N(C)C)c1C 626481046 IQJBCSGSPXQANL-UHFFFAOYSA-N 393.285 3.549 0 40 GHAB CCOc1ccc(-c2nc(C(=O)N[C@H]3Cc4ccccc4N(C)C3)cs2)cc1 1648176992 JXEXIRFCMLJPFY-KRWDZBQOSA-N 393.512 4.000 0 40 GHAB O=C(O)c1cccc(OCCN2CCC(c3ccc4cccnc4n3)CC2)c1 656192023 WDLUWNUKZZIPNJ-UHFFFAOYSA-N 377.444 3.586 0 40 GHAB O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N[C@@]12CCC[C@@H]1C2 663753499 KCWPLOBMSMAIDT-VQIMIIECSA-N 381.442 3.912 0 40 GHAB CC(C)(CNC(=O)N1CCC(c2ccccc2C(=O)O)CC1)[C@@H]1CCCCO1 666536256 OSRKQULDDWXRGN-IBGZPJMESA-N 388.508 3.869 0 40 GHAB CCN1CCO[C@@H](CNC(=O)Nc2ccc3cnccc3c2)[C@@H]1c1ccccc1 667216101 YOELXJGIHNUXSG-VXKWHMMOSA-N 390.487 3.818 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@H](C)C2)C3)s1 585104589 QUZBAIWXQTXYRT-MAUKXSAKSA-N 391.581 3.503 0 40 GHAB Cn1c(=O)n(C)c2cc(NC(=O)c3cc4ccc(C(C)(C)C)cc4[nH]3)ccc21 65513892 TXUHLTLADSUFAM-UHFFFAOYSA-N 376.460 3.908 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3c(F)cccc3F)C2)CN1c1cccc(F)c1 1615122541 PNFFBSRNMZNDSN-OAQYLSRUSA-N 390.405 3.502 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)Sc2nncn2-c2cccc(OC)c2)cc1 5894957 LDQJSLIXJAUEOF-AWEZNQCLSA-N 382.489 3.958 0 40 GHAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)C(C)(C)c1ccc(Cl)cc1 12141954 ZDSUAILPRZJWHZ-SFHVURJKSA-N 397.906 3.923 0 40 GHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 12180568 VIPZOZSBUMMHSE-UHFFFAOYSA-N 378.881 3.830 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)sc1C 12406976 XJSHDTVAVVEOFL-GFCCVEGCSA-N 391.447 3.760 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCOc1ccc(C)cc1 13018166 MCQOIVXJVXPHAX-UHFFFAOYSA-N 376.403 3.529 0 40 GHAB CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715436 POUWJNMEEAPORZ-QGZVFWFLSA-N 398.887 3.971 0 40 GHAB O=C(NC1CCCCC1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccccc2)no1 15707175 OIYJBECTFSSSOH-SFHVURJKSA-N 392.463 3.601 0 40 GHAB biogenic,in-vitro COc1cccc(C(=O)N2CCc3onc(Nc4ccccc4F)c3C2)c1OC 19567370 DHQUPVRMHIFHGP-UHFFFAOYSA-N 397.406 3.773 0 40 GHAB Cc1noc2nc(C(C)C)cc(C(=O)NCc3nnc(-c4ccccc4)o3)c12 19714744 ZJMQWHNLVSOSLP-UHFFFAOYSA-N 377.404 3.635 0 40 GHAB O=C(NC[C@H]1CCC2(CCCC2)O1)NC1CCN(Cc2ccc(F)cc2)CC1 654387929 FCTWUFNBKLKPQL-HXUWFJFHSA-N 389.515 3.581 0 40 GHAB COc1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1OC 5046927 JZWFTTUAOBDSKC-UHFFFAOYSA-N 386.864 3.974 0 40 GHAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(Cl)cc3)n2)cc1 11693310 IPKQENWZFIPTOA-UHFFFAOYSA-N 397.862 3.991 0 40 GHAB Cc1cc(C)cc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)c1 15391294 NDCZFVCIIMPDAJ-QGZVFWFLSA-N 392.546 3.937 0 40 GHAB COCCN(Cc1ccsc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 42382260 DKNYEWFEWPJQOL-UHFFFAOYSA-N 379.425 3.604 0 40 GHAB Cc1ccc(CS(=O)(=O)Cc2ccc(-c3nc(-c4ccccn4)no3)o2)cc1 575615060 FBEHQENXNXVOPP-UHFFFAOYSA-N 395.440 3.815 0 40 GHAB C[C@@H](NC(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 40068796 SKRDHKJAPZAKIF-GFCCVEGCSA-N 397.372 3.635 0 40 GHAB CC(C)CN1C[C@H](C(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1=O 30165592 FYCZTNCBAOUCFO-DYESRHJHSA-N 382.529 3.727 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1ccc(C(=O)O)c(Cl)c1 20144184 ZHZONCCRHHCPIZ-UHFFFAOYSA-N 384.613 3.818 0 40 GHAB O=C(NCc1ccccc1Cl)c1cc(=O)c(OCc2ccccc2F)co1 40287362 YHAYTCFOGWYWGI-UHFFFAOYSA-N 387.794 3.941 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3)cc2c1 790363 NNWCGEGGDJPDNL-FQEVSTJZSA-N 376.456 3.658 0 40 GHAB CCn1ccc(-c2cc(C(=O)Nc3cc(C)ccc3OC)c3c(C)noc3n2)n1 36617991 MDYNKGKMETWMBG-UHFFFAOYSA-N 391.431 3.984 0 40 GHAB CCOC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 1225101 UNYSMRRGTSKFFW-CQSZACIVSA-N 383.473 3.987 0 40 GHAB O=C(c1ccccc1)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 1340176 AYNGJYZAICZJDD-UHFFFAOYSA-N 383.451 3.808 0 40 GHAB O=C(CN1CCCCC1)Nc1ccc2c(c1)[C@@H]1Oc3ccccc3C[C@H]1CO2 1647770 JLVARTZWOQVSMC-GAJHUEQPSA-N 378.472 3.796 0 40 GHAB CCCc1cc(O)nc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n1 11443286 HLJAFAZREOORRO-UHFFFAOYSA-N 387.292 3.876 0 40 GHAB Cc1sc2nc(COC(=O)c3ccc(OC(F)F)cc3)[nH]c(=O)c2c1C 3295178 RIPFZFUMKXBDNC-UHFFFAOYSA-N 380.372 3.560 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)NC3CCCCCC3)o2)cc1OC 6406988 GHOWRXVUZAYYTR-UHFFFAOYSA-N 391.493 3.685 0 40 GHAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccn(Cc2c(Cl)cccc2Cl)n1 101593172 SMIOUIRQYRTLHT-RYUDHWBXSA-N 378.259 3.918 0 40 GHAB C[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCO2)c1ccc(NC(=O)C2CC2)cc1 32795352 JOKDGDDVBOLEAB-UONOGXRCSA-N 395.459 3.885 0 40 GHAB COC(=O)c1cc(NC(=O)COC(=O)c2cccc(Cl)c2)ccc1Cl 8092187 RHCXPNMTHPYPSZ-UHFFFAOYSA-N 382.199 3.576 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 8434355 CJHMJELPAQJARP-IAGOWNOFSA-N 378.428 3.627 0 40 GHAB CCCCn1c(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)nc(C)c1C 32895010 SLPIYCVFSLTWOY-OAHLLOKOSA-N 386.521 3.766 0 40 GHAB COc1cc(C)c(Br)cc1S(=O)(=O)NCCC1=CCCCC1 10233830 YKMIPUASAIWOTH-UHFFFAOYSA-N 388.327 3.935 0 40 GHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1cccc(C(F)(F)F)c1 10445051 KBBOXLHQXPMLGO-UHFFFAOYSA-N 385.769 3.989 0 40 GHAB CCCCN(CC)c1ccc(C(=O)NCc2ccc(-n3cccn3)nc2)cc1 58166911 OUWAINUWTBRIGK-UHFFFAOYSA-N 377.492 3.824 0 40 GHAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Cl)c1)C1=C(O)CC(C)(C)CC1=N2 102675893 HSURYKWNFGELLW-HNNXBMFYSA-N 399.878 3.588 0 40 GHAB Cc1nnc(SCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)n1Cc1ccccc1 102761458 JPNXWUXTYKWEKI-PIKADFDJSA-N 384.549 3.668 0 40 GHAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1nc2ccccc2s1 12165761 GXSBRSAGJOMVIV-UHFFFAOYSA-N 391.452 3.826 0 40 GHAB CC[C@H](C(=O)NCc1cccc(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 113945711 HKZDCAWHOWZUFO-GOSISDBHSA-N 394.924 3.509 0 40 GHAB Cc1ccc(C(=O)Oc2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1 100744016 RSBMNXGVFRMWSQ-CPLUKWAASA-N 375.424 3.750 0 40 GHAB Cc1nc(C)c(C(=O)N[C@@H](C)c2cc(O)n3nc(-c4cccs4)cc3n2)s1 100769336 JLWJGDTVTYCIHE-VIFPVBQESA-N 399.501 3.728 0 40 GHAB Cc1c(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)oc2c(F)cccc12 24985810 ASLBORQWPVDNKQ-IBGZPJMESA-N 382.435 3.684 0 40 GHAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccccc1I 55694834 BQQLAZJCOPFAFR-ZDUSSCGKSA-N 395.240 3.797 0 40 GHAB COC(=O)c1cc(NC(=O)CSc2ccc(OC)c(OC)c2)ccc1Cl 20455182 DRMNIAMXDGEQCB-UHFFFAOYSA-N 395.864 3.875 0 40 GHAB CC(=O)Nc1cccc(-n2c(C)nn(CN3CCc4ccccc4C3)c2=S)c1 26551696 LWZXDYWVLGJYSF-UHFFFAOYSA-N 393.516 3.686 0 40 GHAB CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1 57487393 FJKLLRXCWZVYFA-ZDUSSCGKSA-N 387.530 3.762 0 40 GHAB CN([C@@H](c1ccc(Cl)cc1)c1nccn1C)S(=O)(=O)c1cccs1 12550629 LJMDTUNDYSLQLM-HNNXBMFYSA-N 381.910 3.545 0 40 GHAB COc1cccc(-c2nnc(S[C@@H]3CCCCNC3=O)n2-c2ccccc2)c1 12527711 CNFKABIUZUHOAO-GOSISDBHSA-N 394.500 3.704 0 40 GHAB CCOc1ccc(-c2noc(-c3nnn(-c4cccc(Cl)c4C)c3N)n2)cc1 10273106 JIXBYZAFJKVVBZ-UHFFFAOYSA-N 396.838 3.927 0 40 GHAB CC(=O)[C@H](C)Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 2130204 BZHBGIPKYGEXDD-ZDUSSCGKSA-N 376.364 3.923 0 40 GHAB biogenic O=C(Nc1cc(F)cc(N2CCCC2)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1 58209282 RBFDATUHZVSHCV-HXUWFJFHSA-N 397.450 3.796 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CNc1ccccc1C(=O)NC1CC1 10753251 SNBWJTDOTGBUCC-UHFFFAOYSA-N 387.867 3.600 0 40 GHAB COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCC[C@H]1c1ccncc1 48196309 LUMSWLYWYQTTKL-IBGZPJMESA-N 382.460 3.816 0 40 GHAB COc1cccc(Oc2ccc(CNC(=O)c3cc(-c4ccco4)[nH]n3)cn2)c1 48324306 LRXVVHOMOPEGMG-UHFFFAOYSA-N 390.399 3.796 0 40 GHAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4ccccc4C)CC3=O)c2c1 12866514 AJSPMQPZXUYDBT-GOSISDBHSA-N 375.472 3.814 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1OC 12866115 XOUCSHVISXRAQY-QGZVFWFLSA-N 375.490 3.846 0 40 GHAB COc1cccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c1OC(C)C 409393624 RLJMWXJSVSIQJJ-ODLFYWEKSA-N 394.496 3.870 0 40 GHAB COC(=O)c1cc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(F)cc1F 13008080 SAYPDKUMCABMBB-UHFFFAOYSA-N 383.416 3.786 0 40 GHAB CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C(N)=O)C1 4174376 AJOWESKTXGCGOZ-UPJWGTAASA-N 392.521 3.582 0 40 GHAB Cc1ccc(OCc2nc(C)c(C(=O)NCc3ccc4c(c3)OCO4)s2)cc1 17320892 CIOSBVMUINPFOB-UHFFFAOYSA-N 396.468 3.998 0 40 GHAB C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccnc1 408736700 FULXALRQKSDJQC-MAUKXSAKSA-N 385.464 3.519 0 40 GHAB Cc1ccc(Cl)c(OCC(=O)Nc2ccc(Sc3nncn3C)cc2)c1 14108272 PJRNANNYWBFJOU-UHFFFAOYSA-N 388.880 3.946 0 40 GHAB COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)c1 4544777 GNBOFYUDOFZOIQ-UHFFFAOYSA-N 389.835 3.884 0 40 GHAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2cc(O)nc3ccccc23)CC1 6648587 MTZGAVJSMVBTIS-UHFFFAOYSA-N 396.878 3.598 0 40 GHAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCC(O)CC3)nc12 14670840 OPTNFBBKIVWBQQ-UHFFFAOYSA-N 395.528 3.595 0 40 GHAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc2c(c1)OCCO2 4703963 MFLSGBJDTPNLBI-UHFFFAOYSA-N 397.500 3.575 0 40 GHAB NC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 6945383 JZERSQSRVJTCCO-UHFFFAOYSA-N 382.423 3.891 0 40 GHAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2cccc(Cl)c2)cc1 67198559 NFEGIIWCOCHNDG-UHFFFAOYSA-N 383.835 3.519 0 40 GHAB Cc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 15397999 NSJLZTYGSUFINS-UHFFFAOYSA-N 398.459 3.968 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccccc32)cc1 7191886 NXBKKRFHCWTGDK-KRWDZBQOSA-N 381.501 3.721 0 40 GHAB Cc1cc2nc(C)c(CCC(=O)OCc3nc4ccccc4s3)c(C)n2n1 7672633 BYNZASPPNODASS-UHFFFAOYSA-N 380.473 3.940 0 40 GHAB O=C1CN(C(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)c2ccccc2N1 7987334 WDPPPLCAVROESE-UHFFFAOYSA-N 395.478 3.946 0 40 GHAB C[C@H](C(=O)Nc1ccccc1F)N(C)CC(=O)Nc1cccc2ccccc12 8984605 AZHUKVCBLLMGQH-OAHLLOKOSA-N 379.435 3.876 0 40 GHAB O=C(Cn1ccc2c(Br)cccc21)NCCc1nc2ccccc2[nH]1 96116634 FUVFAMSFLLLOFW-UHFFFAOYSA-N 397.276 3.639 0 40 GHAB O=C(O)C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2)C[C@@H]1CCN1CCCCC1 20463114 ZINSIGJEVBFLBW-IRXDYDNUSA-N 391.487 3.646 0 40 GHAB biogenic,in-vitro COc1cccc([C@@H](CNc2ncnc3c2cnn3-c2ccccc2)N(C)C)c1 9453947 ULAOHBZQDQHDPA-HXUWFJFHSA-N 388.475 3.539 0 40 GHAB Cc1cn2c(CN(C)C(=O)Cc3ccc(Br)cc3)c(C)nc2s1 89702078 YGCWVIQNYDMUBX-UHFFFAOYSA-N 392.322 3.976 0 40 GHAB Cc1nccn1CCCSc1nc2ccccc2c(=O)n1Cc1ccco1 89735704 NVLLASIUTMZMPV-UHFFFAOYSA-N 380.473 3.725 0 40 GHAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C 95459226 RAKDMUDDHVASTG-OAQYLSRUSA-N 390.487 3.621 0 40 GHAB Cc1ccc(-n2cc(C(=O)NC[C@H](O)c3ccccn3)c(-c3ccccc3)n2)cc1 95431492 OCULDAHPMQIULL-QFIPXVFZSA-N 398.466 3.706 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)NCc1cccc(N2CCCC2=O)c1 31779910 IDURUQIRSVANSE-UHFFFAOYSA-N 392.377 3.527 0 40 GHAB COc1ccccc1C1=NO[C@](C)(C(=O)NCC(C)(C)c2cccc(F)c2)C1 35316846 VXMGYEUDDCVUFA-QFIPXVFZSA-N 384.451 3.811 0 40 GHAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(C(=O)O)c1 35684316 IUUNWJPSJTVAGH-INIZCTEOSA-N 390.399 3.728 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3ccccc3n3c(C)nnc23)c(C)c1 64949009 XMCNYYLMQSWBAB-UHFFFAOYSA-N 377.473 3.934 0 40 GHAB CC1CCN(C(=O)CN2CCC[C@@H](c3cccc(Nc4ccccn4)n3)C2)CC1 72375956 WVZVGTCQJVIAIG-LJQANCHMSA-N 393.535 3.658 0 40 GHAB Cc1csc(C2(NC(=O)[C@H]3CCCN(Cc4cccnc4)C3)CCCC2)n1 522167751 HPJJCLGMUFRGHA-SFHVURJKSA-N 384.549 3.644 0 40 GHAB O=C(Cn1ncc2ccccc21)Nc1ncc(C(F)(F)F)cc1Br 568015380 IKBZZEQMSFNFHE-UHFFFAOYSA-N 399.170 3.851 0 40 GHAB Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1C 224109334 SAEYLFXIPILHQH-FQEVSTJZSA-N 396.531 3.872 0 40 GHAB COc1ccccc1N(CCCC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O 222576649 GWAIWUADTPGZBY-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB COc1ccc(NC(=S)NC2(c3ccc(OC)c(OC)c3)CCCC2)cn1 225874894 WKPCSYOQGAOWNO-UHFFFAOYSA-N 387.505 3.863 0 40 GHAB CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(F)cc1 224919949 TWPUOHPYCZOLRF-UHFFFAOYSA-N 376.222 3.943 0 40 GHAB Cc1ccccc1CC(=O)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225757893 PZXYGTFAVTVOEU-UHFFFAOYSA-N 380.517 3.774 0 40 GHAB COc1cccc(NC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 225759739 RJZNLMOQPZYXRB-UHFFFAOYSA-N 389.477 3.514 0 40 GHAB CC(C)C(=O)N1CCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21 41347072 JLIIUZAHYTUYSS-UHFFFAOYSA-N 392.908 3.827 0 40 GHAB COc1ccccc1CCCNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 225291352 SQJJQCFVAIFXOJ-UHFFFAOYSA-N 377.488 3.919 0 40 GHAB COc1ccc(S(=O)(=O)NCc2cccnc2-c2ccsc2)cc1Cl 225649118 JAJXBZYCHDAWCI-UHFFFAOYSA-N 394.905 3.951 0 40 GHAB CCOc1ccccc1C(=O)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225757469 OQULOZDZBPAJJJ-UHFFFAOYSA-N 396.516 3.936 0 40 GHAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cccnc3)C2)o1 257210383 BUKJLEDWHIMAHO-SFHVURJKSA-N 377.444 3.689 0 40 GHAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1cccc2ccccc12 253397597 FUOSHHDUUBVWRR-UHFFFAOYSA-N 386.499 3.907 0 40 GHAB Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCCC[C@H]3C)n2)o1 260712544 IUNMGBDHHXOVBV-LLVKDONJSA-N 379.917 3.897 0 40 GHAB Cc1ccc(C2(C(=O)N3CCC[C@@]4(CCN4Cc4c(C)noc4C)C3)CC2)cc1 585101941 NAOPQAIRFUAXAM-HSZRJFAPSA-N 393.531 3.899 0 40 GHAB CCOCCOc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1 585271738 GYXDCZJJNAEHSJ-QHCPKHFHSA-N 385.504 3.508 0 40 GHAB C[C@H](c1ccccc1)N1C[C@]2(COCCN(Cc3cccc(F)c3)C2)CC1=O 585104672 QPIQQQQCQBSKIA-JPYJTQIMSA-N 382.479 3.638 0 40 GHAB Cc1ccc2cc(CNC[C@H](O)COc3ccc(Cl)c(C)c3)c(O)nc2c1 585292864 PEYXTSRYEISYKB-KRWDZBQOSA-N 386.879 3.740 0 40 GHAB COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc1 48007452 DNWCZJFIPJYFPS-SFHVURJKSA-N 384.432 3.859 0 40 GHAB Cc1cc(C)c2c(-c3ccccc3)nc(SCCCN3CCOC3=O)n2n1 58358165 RKSKYIYELCJHFY-UHFFFAOYSA-N 382.489 3.948 0 40 GHAB COc1ccccc1CNC(=O)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 11856658 FJGUNEUJKKTXQT-UHFFFAOYSA-N 399.830 3.811 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(CN2CCCC2=O)c1 12998763 MURXYBHZSODNTC-UHFFFAOYSA-N 378.350 3.960 0 40 GHAB C[C@@H](Cc1cccs1)C(=O)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19457150 OIDKMEHIVXUQRI-AWEZNQCLSA-N 381.501 3.569 0 40 GHAB CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2C)C1 19657254 ZCSGCBUVRMKWFA-QZTJIDSGSA-N 393.491 3.860 0 40 GHAB COc1ccc(C(=O)/N=c2\sc3c(n2C)-c2ccccc2CC3)cc1OC 4648719 QXAFDTLGBJINJW-DQRAZIAOSA-N 380.469 3.611 0 40 GHAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 245026690 NGVIPEXSSHYSRO-KCXAZCMYSA-N 391.817 3.744 0 40 GHAB N[C@H](C(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F)[C@H]1CCCO1 685938863 DOGITAQWGMFSER-HPBDAGMYSA-N 384.442 3.744 0 40 GHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1COc2ccccc2O1 30980506 BKTMTIYOSFGCHK-CYBMUJFWSA-N 381.259 3.975 0 40 GHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNC(=O)c1ccc(F)cc1 1775963979 MKTDZXVBUHLKMB-JWOSDPRPSA-N 380.463 3.629 0 40 GHAB biogenic,in-vitro Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1C 2037912984 JFPZDJDJXOLFPW-HSZRJFAPSA-N 378.472 3.831 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccc(Br)cc1 4941553 PZIFTQKWAKQPHG-UHFFFAOYSA-N 391.250 3.625 0 40 GHAB COc1ccc(C)c2sc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc12 5268552 GUGPBVJJOCWJHB-UHFFFAOYSA-N 399.491 3.644 0 40 GHAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc1 8843855 MHENZUCUXDPNPZ-IBGZPJMESA-N 381.501 3.744 0 40 GHAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1c(F)cccc1F 1775979141 ZPQYKVXZTOWJED-INIZCTEOSA-N 395.452 3.705 0 40 GHAB CCCCN(CC)C(=O)Cn1cc(-c2nc(-c3ccc(C)cc3)no2)ccc1=O 49005924 NMULVVQFIDSCML-UHFFFAOYSA-N 394.475 3.522 0 40 GHAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1cc(-c2ccccc2)on1 238859513 KKGUSXZJGFTXLH-HXUWFJFHSA-N 380.425 3.662 0 40 GHAB Cc1ccc(Cn2c(=O)/c(=C/c3cccs3)s/c2=C\C(=O)C(C)(C)C)cc1 40161593 ITOXHWQVBAARNA-CKBZXIGASA-N 397.565 3.553 0 40 GHAB Cc1cc(N2CCOCC2)ccc1NC(=O)NCCO[C@@H]1CCCC[C@H]1C 40105571 KFEGTKPMKMERGC-OXQOHEQNSA-N 375.513 3.548 0 40 GHAB COc1cc(OC)c(N[C@H](C)C(=O)Nc2ccccc2C(C)=O)cc1Cl 28797942 RDLOLLQHIMNWJI-LLVKDONJSA-N 376.840 3.999 0 40 GHAB CCCN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2cc(Br)ccc21 2493070 BSLYLWIECQNCLE-QGZVFWFLSA-N 394.290 3.728 0 40 GHAB COc1ccc(-n2ncc3c(Nc4cc(OC)ccc4OC)ncnc32)cc1 756751 HWRRYMBLIZYVCX-UHFFFAOYSA-N 377.404 3.585 0 40 GHAB Cc1ccc(CN2C[C@H](C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CC2=O)cc1 36626712 FRXWONAMUSYVHP-CYBMUJFWSA-N 392.286 3.871 0 40 GHAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1F)C[C@H]1CCCO1 1330108 WMADYIRUEMSKSF-QGZVFWFLSA-N 381.403 3.754 0 40 GHAB COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c1 100838402 BOZIWKLEYKRMHR-VOBQZIQPSA-N 393.439 3.840 0 40 GHAB COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2)cc1 7939777 XOEOYGIBHVBBDU-UHFFFAOYSA-N 389.407 3.722 0 40 GHAB COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)cc1 102075865 YSYYMAATHBZJDC-MJGOQNOKSA-N 391.423 3.760 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(Br)cc2)c1 8355341 MNCOQFHJWMYLNX-GFCCVEGCSA-N 394.265 3.723 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c2cccnc12 32932380 BSJMRJBOMZJYNP-UHFFFAOYSA-N 380.372 3.646 0 40 GHAB Cc1ccc(-n2c(S[C@@H]3C[C@H](C)OC3=O)nnc2-c2ccccn2)c(C)c1 53841383 YRRDRXPBTWNRDU-WMLDXEAASA-N 380.473 3.742 0 40 GHAB Cn1c(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)nc2ccccc21 2790049 RATDRSLDKHPZRK-UHFFFAOYSA-N 392.316 3.744 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCC(C)C)c2)cc1 22534925 GCMQFGSECJPVPO-UHFFFAOYSA-N 380.897 3.835 0 40 GHAB C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@@H](c1ccccc1)N1CCOCC1 23761894 QGJXJXQCLPMZSU-KXBFYZLASA-N 392.421 3.897 0 40 GHAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)NCc1ccco1 57487335 SXHRQTWHVNAIJJ-UHFFFAOYSA-N 382.807 3.768 0 40 GHAB O=C(Cc1ccc(C(F)(F)F)cc1)NCc1cccc(NC(=O)C2CC2)c1 21066971 ANSABQVZCXCPGU-UHFFFAOYSA-N 376.378 3.913 0 40 GHAB O=C([C@H]1Cc2c(ccc3ccccc23)O1)N1CCN(c2ccccc2F)CC1 1394658 UKAYTFMVCAWARB-JOCHJYFZSA-N 376.431 3.631 0 40 GHAB Cn1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2cc(F)ccc21 22236264 FJHSHBHUYHNWLI-UHFFFAOYSA-N 375.197 3.692 0 40 GHAB NC(=O)CCn1c(SCc2cccc3ccccc23)nnc1-c1ccco1 25044954 INQRCKJPZALMKY-UHFFFAOYSA-N 378.457 3.859 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cccc(F)c2)cs1 25322634 LVAFEWQCCITUHH-UHFFFAOYSA-N 390.461 3.995 0 40 GHAB Cc1oc2cc3oc(=O)c(CCC(=O)NC[C@@H]4CCCO4)c(C)c3cc2c1C 2095857 PAUKSRVEPWJXFV-HNNXBMFYSA-N 383.444 3.692 0 40 GHAB biogenic O=C(Nc1cccnc1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3225416 JEMAMIZUXRYNRO-UHFFFAOYSA-N 393.896 3.552 0 40 GHAB CC1CCN(C(=O)C2CCN(C(=O)Cc3cccc4ccccc34)CC2)CC1 58179710 MMPMCAPXZPMQCJ-UHFFFAOYSA-N 378.516 3.879 0 40 GHAB Cc1c(CCC(=O)NCCC(=O)O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 2114617 CNCAXSLWXNJBBF-UHFFFAOYSA-N 399.443 3.669 0 40 GHAB biogenic O=S1(=O)N=C(CSC2=Nc3ccccc3CS2)Nc2ccccc21 58391396 WGGKYNYOCCFLPA-UHFFFAOYSA-N 375.500 3.867 0 40 GHAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc3nccnc3c1)CC(O)=N2 36353942 KVBDNPHCGZXPIL-LBPRGKRZSA-N 391.822 3.691 0 40 GHAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)cc1 2378520 JMQGQUPTHGKJMK-UHFFFAOYSA-N 381.505 3.732 0 40 GHAB Cc1cccc(NC(=O)CN(C)CCC(=O)Nc2ccc(Cl)cc2F)c1C 12748485 ADKVFUYFBDUYIR-UHFFFAOYSA-N 391.874 3.995 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)C3CC3)CC2)c2ccccc12 48287340 SDOJDEOCKMQXIP-HNNXBMFYSA-N 380.488 3.615 0 40 GHAB COc1ccc([C@@H](CNC(=O)[C@@H]2COc3ccccc3C2)N2CCCCC2)cc1 22685786 YYYNAQGYBLGGJT-RBBKRZOGSA-N 394.515 3.590 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 12893568 KFUMJQOYZLRSOA-QGZVFWFLSA-N 379.504 3.927 0 40 GHAB COC(=O)c1ccc(C(=S)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 3419266 ZHYOBNNDZMDWIZ-HXUWFJFHSA-N 398.528 3.584 0 40 GHAB COc1cc(C(=O)OCC(C)=O)cc(Br)c1OCc1ccccc1 3439546 FODHCGWIDYSDAF-UHFFFAOYSA-N 393.233 3.783 0 40 GHAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(C)cc3)c2c1=O 48989090 GMAHXTYBCLVZOH-UHFFFAOYSA-N 386.455 3.832 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)cc1C 13345406 CDFUMNAXBYSLKR-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB COc1cccc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)c1OC 49545526 LTRVOCGGYIELLY-OAHLLOKOSA-N 396.468 3.664 0 40 GHAB COc1ccc(OC)c(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)c1 4275868 YAPCMQMRRRQGNL-UHFFFAOYSA-N 397.456 3.667 0 40 GHAB Cc1noc(C)c1COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 5017611 MISNMTPQRTWEII-UHFFFAOYSA-N 393.395 3.651 0 40 GHAB CCCn1c(C)cc(C(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)c1C 18036376 UZXKOJJAEBIDKK-UHFFFAOYSA-N 384.505 3.738 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O)Nc1cccc2ccccc12 18154850 TWPPQDGUHKBXPF-IRXDYDNUSA-N 382.847 3.686 0 40 GHAB CCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 408780934 NQIXWUSOKDSKBV-UHFFFAOYSA-N 394.496 3.832 0 40 GHAB CN(Cc1ccc(C(C)(C)C)cc1)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 14198012 KDSOIEDEDGEJKY-QHCPKHFHSA-N 397.494 3.980 0 40 GHAB CO[C@@](c1ccccc1)(c1ccc(F)cc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O 4672040 GUNODGGFSQOICX-KNQAVFIVSA-N 396.418 3.655 0 40 GHAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)CN1CCCCCC1=O 5539361 DLURHDYNZOXQKB-UHFFFAOYSA-N 388.508 3.818 0 40 GHAB COc1ccc(-c2nc3c4c(C)c(C)n(Cc5cccnc5)c4ncn3n2)cc1 6661932 KRNVBGCGHFRCJD-UHFFFAOYSA-N 384.443 3.815 0 40 GHAB COc1cc(C(=O)COC(=O)c2cccc3ccccc23)cc(OC)c1OC 6627513 RUSSOBBIDFJOKQ-UHFFFAOYSA-N 380.396 3.905 0 40 GHAB COc1cc2ccccc2cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 6840043 OPSWZJLTQCDYSD-UHFFFAOYSA-N 398.484 3.659 0 40 GHAB COc1cc(=O)[nH]c(S[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)n1 4999486 KSQYFKNKDXYDHD-CQSZACIVSA-N 381.457 3.624 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(-n2ccnc2)cc1 7050233 HNRODBCVCYNGIH-LBPRGKRZSA-N 379.844 3.704 0 40 GHAB CSc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 7220413 SOYPMVHYRBPOSB-QGZVFWFLSA-N 399.560 3.704 0 40 GHAB C[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl 7407761 LCMDOFQHCFWCPP-GHMZBOCLSA-N 391.254 3.855 0 40 GHAB O=C(CCn1nc(-c2cccs2)oc1=O)OCc1cccc(C(F)(F)F)c1 16366171 DNVULMSQDSNVJP-UHFFFAOYSA-N 398.362 3.717 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)NCc2nc(-c3cccs3)no2)ccc1Cl 24577329 AJHKRIUZHTUYCM-NSHDSACASA-N 377.853 3.844 0 40 GHAB C[C@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 8310356 LXFQLTIZBZXSHH-FXAWDEMLSA-N 380.488 3.862 0 40 GHAB COc1ccccc1C(=O)C[C@]1(O)C(=O)N(Cc2cccs2)c2ccccc21 9547836 VKPGPDBNRYBSCY-JOCHJYFZSA-N 393.464 3.764 0 40 GHAB O=C(CSCc1ccc(Cl)cc1Cl)NCC[C@@H](O)C(F)(F)F 72288830 NKJDWDPUAUUUQZ-LLVKDONJSA-N 376.227 3.656 0 40 GHAB Cc1cccc(N2CCN(C(=O)Nc3ccc(N4CCCC4)c(F)c3)[C@H](C)C2)n1 72313603 UZKVPVPEPSNOAG-QGZVFWFLSA-N 397.498 3.872 0 40 GHAB O=C(NCC1(CCO)CCCCC1)C1(c2ccc(Br)cc2)CC1 84393113 LNFSSBDFPPRZHT-UHFFFAOYSA-N 380.326 3.930 0 40 GHAB Cc1cc(CC(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)Cc3ccccc32)no1 95441545 MCJISPMBGGMHGR-CQSZACIVSA-N 385.464 3.698 0 40 GHAB O=C(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1NC(=O)[C@@H]1CCCO1 78877718 YTOXPFTWJYFMDF-AWEZNQCLSA-N 380.231 3.758 0 40 GHAB O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1C(=O)c1ccccc1 78994352 PDXCPJTXFOSGQG-SFHVURJKSA-N 391.442 3.638 0 40 GHAB CCn1ccc(C(=O)Nc2c(Br)cc(F)cc2Br)n1 28236920 PZPUSIUAQWUKKF-UHFFFAOYSA-N 391.038 3.819 0 40 GHAB O=C1C[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)N2N=CNC2=N1 38200093 NIWWSLGGOKIGIB-OAHLLOKOSA-N 389.242 3.748 0 40 GHAB CCCOc1ccccc1CCCNC(=O)c1ccc(N2CCCC2=O)cc1 219203693 YJVITXNSDNGNDL-UHFFFAOYSA-N 380.488 3.965 0 40 GHAB COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)c1cccc(Cl)c1 123791072 LLTWRIUYDAPCMJ-UHFFFAOYSA-N 396.896 3.678 0 40 GHAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 72374662 XUJXFAXHEKNDLT-KRWDZBQOSA-N 399.498 3.830 0 40 GHAB Cc1cccc(N2CCN([C@@H](c3ccccc3)c3nnnn3C(C)C)CC2)c1C 35290673 BYHKRSDAIDVNCJ-QFIPXVFZSA-N 390.535 3.782 0 40 GHAB O=C(Cc1ccccn1)N1CCC[C@@H](c2cccc(-c3ccc(CO)cc3)n2)C1 72349473 IAWJJBDWJKWOKI-HXUWFJFHSA-N 387.483 3.585 0 40 GHAB CC[C@H](C)C(=O)O[C@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 37230577 GVBNSPFBYXGREE-SYURPWHHSA-N 388.416 3.526 0 40 GHAB biogenic,in-man CCOC(=O)[C@@H]1CCCN(C(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)C1 33005371 MCWGJXZDLJTUNQ-JKSUJKDBSA-N 380.488 3.775 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccc(C)cc3C)ccc21 225693627 WKCHXJCBFRMOFO-CQSZACIVSA-N 390.530 3.739 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1 225729535 XOSYTDSOOFBESQ-OKILXGFUSA-N 397.972 3.781 0 40 GHAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc2c(c1)OCCO2 225740238 XRIIUUAZXMADIX-OAHLLOKOSA-N 383.517 3.586 0 40 GHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)[nH]1 223916226 IZMHHTYIXNANSZ-WOJBJXKFSA-N 377.517 3.961 0 40 GHAB COc1ccc([C@@H](C)NC(=O)NCCCCN2C[C@H](C)C[C@@H](C)C2)c(OC)c1 195529353 MSSRICLKSTZNHL-KZNAEPCWSA-N 391.556 3.822 0 40 GHAB COC(=O)c1ccc([C@H]2CC(=O)c3cc4c(cc3-n3cccc32)OCCO4)cc1 225380579 TWANDFRWFILSGT-MRXNPFEDSA-N 389.407 3.753 0 40 GHAB Cc1cc(C)cc(N(CCCC(=O)NCC2CCCCC2)S(C)(=O)=O)c1 224657926 UTVMIRQIOUJZGC-UHFFFAOYSA-N 380.554 3.546 0 40 GHAB C[C@@H]1CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c2ccccc2O1 41155533 WNUCRNNBTHVERI-CYBMUJFWSA-N 378.384 3.541 0 40 GHAB O=C(NCCCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223922555 CPRNTXPOGLBAOH-UHFFFAOYSA-N 394.496 3.850 0 40 GHAB COc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(F)cc1C)CC(C)(C)O2 225598570 CACXOZSSAAYHJS-INIZCTEOSA-N 379.453 3.723 0 40 GHAB C[C@H](NC(=O)N1CCC2(CC1)OCCc1ccccc12)c1ccc2n[nH]cc2c1 579199056 CUOSLOXJBXNWNI-INIZCTEOSA-N 390.487 3.898 0 40 GHAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21 96242361 ALNQBGUDIOICFZ-LJQANCHMSA-N 397.563 3.982 0 40 GHAB CO[C@@H]1CCN(c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)C1 253407851 WUYACZLYTMPMGV-OAQYLSRUSA-N 399.922 3.528 0 40 GHAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cccc(C)n4)C3)o2)cc1 257279784 OIEAUHSXSRSQQY-GOSISDBHSA-N 391.471 3.997 0 40 GHAB CC(C)N1CC[C@H](c2cc(O)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)C1 257308596 TXHYGXLBTHOQJB-ZDUSSCGKSA-N 399.882 3.538 0 40 GHAB COc1ccccc1NC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 90678691 BQSWRSZBDNIFRV-UHFFFAOYSA-N 378.432 3.714 0 40 GHAB O=C(NCC(F)(F)c1cccc(F)c1)Nc1ccccc1CN1CCOCC1 665797094 SKLFYGMHPDUJFI-UHFFFAOYSA-N 393.409 3.571 0 40 GHAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)c1ccccc1Br 390828976 VMAQWPUCJLYIBZ-QGZVFWFLSA-N 392.274 3.770 0 40 GHAB O=C(NCc1cncc(N2CCCC2=O)c1)Nc1ccc(C(F)(F)F)cc1 575620856 WETPPJQEEVRTGK-UHFFFAOYSA-N 378.354 3.549 0 40 GHAB COC(=O)c1c(NC(=O)CN[C@H](C)c2ccccc2Cl)sc2c1CCC2 57315213 UGTRLUUWCFZYFP-LLVKDONJSA-N 392.908 3.966 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 5579261 HKARPUWVKBCVLZ-UHFFFAOYSA-N 380.469 3.977 0 40 GHAB COc1cc(CN2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)cc(OC)c1 12337789 AWLZJVCASGOTKG-HXUWFJFHSA-N 396.491 3.796 0 40 GHAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1cccc(OC)c1 12414323 ZYTCDGCRMBTOEA-UHFFFAOYSA-N 395.433 3.636 0 40 GHAB COc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 16029998 KKKMXIPLLRTIKT-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5)no4)ccn3n2)cc1C 16842745 NUONXWBLYGAMQU-UHFFFAOYSA-N 397.438 3.878 0 40 GHAB O=C(c1ccccc1Cn1cncn1)N1CCC(CCc2ccccc2F)CC1 19348686 RTRAMGCISNGVRG-UHFFFAOYSA-N 392.478 3.951 0 40 GHAB Cc1oc2c(c1C(=O)N1CCCC[C@@H]1c1ncc3c(n1)CCN(C)C3)CCCC2 19581249 MJEGLPCPLOKUGY-LJQANCHMSA-N 394.519 3.612 0 40 GHAB C[C@@H](O)c1ccc(C2(CNC(=O)COc3ccc(F)cc3)CCCC2)s1 225681275 AMZNAJDNGCIVJX-CQSZACIVSA-N 377.481 3.948 0 40 GHAB COc1cc(NC(=O)c2ccccc2Br)cc2sc(NN)nc12 226310084 IVDXKFKWBZVBAG-UHFFFAOYSA-N 393.266 3.605 0 40 GHAB COc1ccccc1C(=O)Nc1cc(Br)c2nc(NN)sc2c1 226310740 QZIOMBZGLGKMMD-UHFFFAOYSA-N 393.266 3.605 0 40 GHAB CCCn1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)c1C 19525949 IWJCXRLLOSFUDP-INIZCTEOSA-N 397.548 3.793 0 40 GHAB O=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc21 6454844 NJKBZSVPXYMGHU-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N1C[C@H](C)O[C@H](C)C1 12457445 ZRTGOGGTUZPAJT-COAGHLHKSA-N 387.911 3.851 0 40 GHAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]3C2)c(C)o1 1888849457 TWSKHCCNAWIFBK-KBPBESRZSA-N 379.382 3.519 0 40 GHAB COc1cccc2sc(N3CCN(c4cc(C(F)F)nc(C)n4)CC3)nc12 1888890597 FEBADGOOWYWMQD-UHFFFAOYSA-N 391.447 3.668 0 40 GHAB FC(F)(F)c1ccnc(N2C[C@@H]3CCN(c4nc5cnccc5s4)[C@@H]3C2)c1 1889202467 YEJOVKJHSQCYMC-SMDDNHRTSA-N 391.422 3.820 0 40 GHAB Cc1csc2ncc(C(=O)N(Cc3ccccc3)c3ccccc3)c(=O)n12 4265826 WQJDVESJGGOOTR-UHFFFAOYSA-N 375.453 3.911 0 40 GHAB COc1cccc(N2C[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)CC2=O)c1 5194914 WMVCSAOMGUIWCG-HXUWFJFHSA-N 386.451 3.898 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 5438611 QQJQIQCRRLGHAC-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc1 8864362 POOQYSCYSHJUHA-IBGZPJMESA-N 385.533 3.763 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2csc(Nc3ccccc3)n2)CC1 23136755 YTIKASOWWOIKKC-UHFFFAOYSA-N 394.500 3.858 0 40 GHAB Cc1nn(C)c(C)c1C(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1890150202 IGWRFWVDBLKMRB-UHFFFAOYSA-N 389.503 3.877 0 40 GHAB CCc1nc(-c2ccc(-n3ccc(C(=O)NCc4ccc(F)cc4)n3)cc2)no1 49408726 WOJCCMCMVKNGQI-UHFFFAOYSA-N 391.406 3.554 0 40 GHAB Cc1cccc(-c2cc(C[C@@]3(C(=O)O)CCCN(C(=O)CC(C)C)C3)on2)c1 12366473 FZCLZWAKDADNHM-QFIPXVFZSA-N 384.476 3.932 0 40 GHAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NC[C@H]1CCOC1 40091086 VYRYPADPBRNFKG-MRXNPFEDSA-N 380.444 3.790 0 40 GHAB OCCNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 20289092 JWITWLPCJYRWRL-UHFFFAOYSA-N 383.521 3.513 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2sc(-c3ccccc3)nc2C)n1 7996076 QBEJZQGXEKTFCI-UHFFFAOYSA-N 387.486 3.933 0 40 GHAB Cc1ccc(NC(=S)N(CCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 907849 MYMGCZLYHIORMS-UHFFFAOYSA-N 395.528 3.645 0 40 GHAB O=C1NC2(CCCCCCC2)C(=O)N1C[C@H](O)c1ccc(C(F)(F)F)cc1 51257562 YKXVIBJUZKAZDD-HNNXBMFYSA-N 384.398 3.774 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 7881620 UTLSUGWEXLNJPD-PKOBYXMFSA-N 379.456 3.779 0 40 GHAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2ccc(F)cc2)cc1 20739248 DRACRVLUHDVJDP-QGZVFWFLSA-N 380.379 3.869 0 40 GHAB COc1cc(C(=O)CC(=O)CCC(=O)Nc2ccc(Cl)cc2)ccc1O 104274180 ZJAPVWMSMJPAJN-UHFFFAOYSA-N 375.808 3.615 0 40 GHAB Cc1cc(C)c(S(=O)(=O)NCc2c(C)nn(-c3ccccc3)c2C)c(C)c1 8059923 ZRDRJESXTBMGFV-UHFFFAOYSA-N 383.517 3.893 0 40 GHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1Cl 2646188 VBKISLAQNXWKMC-UHFFFAOYSA-N 395.742 3.738 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(C)nc2ccccc12 8073932 LSSVHVFSHDHNHA-UHFFFAOYSA-N 383.398 3.922 0 40 GHAB Cc1ccc(F)cc1NC(=O)COC(=O)c1cc(C)n(-c2nccs2)c1C 32809871 RAWDWIFGPOILRG-UHFFFAOYSA-N 387.436 3.794 0 40 GHAB CCc1cc2oc(=O)cc(COC(=O)c3c(C)cc(=O)oc3C)c2cc1Cl 32850496 PERVJZIQLZNNPZ-UHFFFAOYSA-N 388.803 3.936 0 40 GHAB CC(C)(C)c1ccc([C@@H]2c3c(-c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10232537 QABGGPBBVGCSIY-LJQANCHMSA-N 399.458 3.828 0 40 GHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccccc2Cl)S(C)(=O)=O)c1 10328183 PIJSPUXLDYQAHF-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB Cc1cnc2c(S(=O)(=O)NCCSCc3cccs3)cccc2c1 32902719 AFTMHIZNFMUJAC-UHFFFAOYSA-N 378.544 3.816 0 40 GHAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 46468655 OVPZBCNYZKRDLO-MOPGFXCFSA-N 386.496 3.677 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(COc2ccc3c(c2)OCO3)o1 2778397 DXZRIYWFTWGVGC-UHFFFAOYSA-N 395.367 3.611 0 40 GHAB CCOc1ccccc1[C@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)Nc2ncnn21 645522 WWXPKJNQHUGIST-IBGZPJMESA-N 393.422 3.744 0 40 GHAB COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 627648 CBZQLWBOIFBSOQ-DLBZAZTESA-N 394.427 3.553 0 40 GHAB CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccccc1 2890452 URWXBLZFNZOJCM-LJQANCHMSA-N 396.874 3.943 0 40 GHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 851710 BZRZHJTWOJYCSI-CYBMUJFWSA-N 392.238 3.772 0 40 GHAB COc1ccc(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)cc1 23126359 GKTGRWICSFTRNZ-UHFFFAOYSA-N 391.452 3.772 0 40 GHAB CCOc1ccc(N(C(C)=O)[C@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1 970093 TUFUQFNPPAUBEU-IBGZPJMESA-N 384.457 3.973 0 40 GHAB Cc1cccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 58158062 PJYZHSNUNQCSSD-UHFFFAOYSA-N 377.410 3.775 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccccc1 20040417 SMGVHKKRNXYLMP-FXAWDEMLSA-N 388.533 3.725 0 40 GHAB COc1cccc(CCC(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)c1 24904034 OOTSBEGELYPUTF-UHFFFAOYSA-N 375.428 3.914 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N[C@H](C)c1ccccc1Cl 57421402 QEBZYWQOUDPXSM-CVEARBPZSA-N 387.911 3.751 0 40 GHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)COc3ccc(C)cc3OC)o2)cc1 27426165 IRLPYDHIERUGNQ-CQSZACIVSA-N 398.415 3.745 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)CCOc1ccccc1F 58269530 YXETWRRBEQSOPA-UHFFFAOYSA-N 381.451 3.708 0 40 GHAB COCCn1cnc2c1C1(CCN(Cc3ccco3)CC1)Oc1ccccc1-2 306137999 RMIZETDYYSEQMJ-UHFFFAOYSA-N 379.460 3.673 0 40 GHAB CCCCN(CC)CC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)OC2 2275973 RNVWXXFSSDDASA-UHFFFAOYSA-N 396.553 3.837 0 40 GHAB CCOC(=O)c1ccc(C(=O)c2ccccc2I)cc1 2392602 BWFNQYLFFDEROD-UHFFFAOYSA-N 380.181 3.699 0 40 GHAB COC(=O)c1ccc(COC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 12783011 HBBOSEMHPAWHNQ-UHFFFAOYSA-N 376.412 3.505 0 40 GHAB CCCc1nnc(SCc2nnc(-c3ccc(OC)c(OC)c3)o2)n1CC 20034003 AYSVDAYANJMCLA-UHFFFAOYSA-N 389.481 3.610 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCc2ccccc21 8278430 UJQIBYBLELSUGP-IBGZPJMESA-N 378.472 3.574 0 40 GHAB Brc1ccc(C2(c3nc(-c4cccnc4)no3)CCOCC2)cc1 70020975 ZYXSBVJBUWQMQB-UHFFFAOYSA-N 386.249 3.991 0 40 GHAB CCOc1ccc(NC(=O)CN(C)C(=O)C2(c3ccccc3)CC2)cc1OCC 12980073 OLHSJWKJZRDTHW-UHFFFAOYSA-N 396.487 3.613 0 40 GHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1cccc(Cl)c1Cl 12924618 WBPFQEHJAVTYFY-UHFFFAOYSA-N 382.178 3.588 0 40 GHAB COc1ccc2c(CC(=O)N(C)CC(=O)Nc3cc(C)ccc3C)coc2c1 3525003 KUEAZXNERYWMLV-UHFFFAOYSA-N 380.444 3.698 0 40 GHAB COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)cc1 8487434 PZEORIFGPSWNIS-RDPSFJRHSA-N 398.418 3.776 0 40 GHAB CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(CCC(=O)O)C1 4278722 UCRXMXKRJOQXEG-UHFFFAOYSA-N 383.400 3.698 0 40 GHAB COc1ccc(-c2nnn(Cc3csc(-c4ccc(C)cc4)n3)n2)cc1OC 5231201 FSONCZOHBDOCAZ-UHFFFAOYSA-N 393.472 3.838 0 40 GHAB O=C(NCCC(=O)N1CCCCCC1)c1c2c(nc3ccccc13)CCCC2 65490548 ZCPDVUIQRKEFMC-UHFFFAOYSA-N 379.504 3.636 0 40 GHAB Cc1ccc(Sc2ccc(NC(=O)CCCN3C(=O)CNC3=O)cc2)c(C)c1 14168165 ASLIWPGPIWHLJL-UHFFFAOYSA-N 397.500 3.725 0 40 GHAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(Cc1ccccc1F)C1CC1)C2=O 14245565 ZEQUGDVVFPFCSL-OYHNWAKOSA-N 387.499 3.884 0 40 GHAB C[C@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 14280009 XKRPXBAQTWVRTA-VGGFTTENSA-N 375.538 3.569 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 4672788 LWWZGCMAAYHUMA-HZPDHXFCSA-N 390.505 3.548 0 40 GHAB COc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 5513729 HPJSKQGXDKFAKQ-UHFFFAOYSA-N 376.412 3.742 0 40 GHAB Cc1ccc(C2=NN(C(=O)Cn3nnc4ccccc43)[C@H](c3ccco3)C2)cc1 6652613 IEGXNHZAUYDABD-FQEVSTJZSA-N 385.427 3.711 0 40 GHAB Cc1cccc(N(Cc2ccccc2)C(=O)Cn2nnc(-c3cccs3)n2)c1 6851484 RLQCTJJGYGDEPI-UHFFFAOYSA-N 389.484 3.943 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCOc2ccccc2Cl)c2ccc(Cl)cc21 4988085 JAVHWMIZCHSTIV-LJQANCHMSA-N 394.254 3.586 0 40 GHAB COc1ccc([C@H](CNC(=O)CSc2ccccc2Cl)N(C)C)cc1 5938355 XJZINMGVOHDPIE-KRWDZBQOSA-N 378.925 3.860 0 40 GHAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccc(-n2ccnc2)cc1 18047968 MARIXTPIAVGCKJ-CQSZACIVSA-N 392.484 3.798 0 40 GHAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)no1 7201943 FIRFIXFBZRHFPN-ZDUSSCGKSA-N 395.444 3.943 0 40 GHAB Cc1ccc(-c2csc3ncn(CC(=O)N[C@H](C)c4ccco4)c(=O)c23)s1 7307539 PCZRLOPGBGVSGZ-GFCCVEGCSA-N 399.497 3.965 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)/C=C/c1nc2ccccc2s1 8721336 ITXPUAYEAIKVRI-ZHACJKMWSA-N 393.512 3.805 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1OC(F)F 15998702 YZKCSNXSLPXWOV-UHFFFAOYSA-N 377.315 3.537 0 40 GHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCCCC(=O)c1ccccc1 7778962 TVFPBGMGBWSQAK-UHFFFAOYSA-N 383.488 3.525 0 40 GHAB Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3cccs3)s2)CC1=O 9199378 HFQVTEDDGKAVGL-LBPRGKRZSA-N 384.486 3.681 0 40 GHAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc(NC2CCCCC2)cc1 71850335 CHIGFHUNYFXRCI-UHFFFAOYSA-N 379.460 3.795 0 40 GHAB Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)N(C)c3ccccc3)C2=O)cc1 71768995 LWOHTKXXXXIJRX-UHFFFAOYSA-N 389.499 3.950 0 40 GHAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](C)c1nc(-c2ccccc2C)no1 89941672 VVTJLUYIGMNWRI-QXAKKESOSA-N 382.508 3.971 0 40 GHAB COc1cc(CNC(=O)c2nc(-c3ccccc3)oc2C)cc(OC)c1OC 9887723 JZFNZJRJCWZCDO-UHFFFAOYSA-N 382.416 3.606 0 40 GHAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc(CN2CCC(O)CC2)c1 72305845 AZABQRONIJUWPR-UHFFFAOYSA-N 385.512 3.682 0 40 GHAB COc1cccc(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)c1OC 97574226 ZUFWULKIVTZBRH-UHFFFAOYSA-N 378.856 3.550 0 40 GHAB C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 84651609 HVYFKONEWJUGJQ-CQDKDKBSSA-N 392.443 3.571 0 40 GHAB Cc1nc(CSc2ccc(C(=O)N[C@@H](CC(=O)O)C3CC3)cc2)cs1 95970306 OYTVFVXTRRPFNW-INIZCTEOSA-N 376.503 3.727 0 40 GHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)NCCc1cccc(F)c1 9919501 WAWKNDKTPMCSCG-UHFFFAOYSA-N 380.448 3.658 0 40 GHAB COc1ccc(-c2nnc(C3CCN(C(=O)c4ccc(F)cc4)CC3)o2)cc1 20320949 WYNLQSJCDSODRZ-UHFFFAOYSA-N 381.407 3.904 0 40 GHAB O=C(c1cccs1)N1CC[C@@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306123484 AOQFVXNXIAALFU-HXUWFJFHSA-N 383.448 3.566 0 40 GHAB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccccc2C)cc1 408969872 VZWQMPUAMVVQCT-UHFFFAOYSA-N 378.428 3.873 0 40 GHAB O=C(COC(=O)c1cccc(Cl)c1)NCc1ccc(Br)cc1 72333824 GRBUCPXPEQNIPY-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB Cc1ccc(S(=O)(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 39097453 BCWJPYBVTNWFEG-MMBKUXRPSA-N 377.465 3.992 0 40 GHAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 6152040 ZVAYUGUSNMSKOF-DTQAZKPQSA-N 384.501 3.646 0 40 GHAB O=C(O)c1ccc(NC2CCCC2)c(S(=O)(=O)NCCC2=CCCCC2)c1 217453834 GXYDAGSSCBLKQY-UHFFFAOYSA-N 392.521 3.908 0 40 GHAB O=C(CN1CCC(c2cccc(Cc3ccccc3)n2)CC1)Nc1nccs1 72348899 BEPFUIXOEHMTSS-UHFFFAOYSA-N 392.528 3.947 0 40 GHAB COc1ccccc1CN(C)C(=O)c1ccccc1SCC(=O)N1CCCC1 32999773 NPMFEFKZRSRIBR-UHFFFAOYSA-N 398.528 3.682 0 40 GHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCCC[C@@H]2C)cc1OC 32930740 OBVPSOPTWWYKFH-SFHVURJKSA-N 396.531 3.937 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3ccccc3n3c(C)nnc23)cc1C 64949008 ATFYXERZPHUAFX-UHFFFAOYSA-N 377.473 3.934 0 40 GHAB CCc1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 219296998 NLIPMJAPCHSXMJ-OAHLLOKOSA-N 395.459 3.734 0 40 GHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1 224554750 TYZDQTUHFZJKSF-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)c1 42181498 OGMRRWWCGDIIQA-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 225071390 QKAWQZWKMMVDFB-FQEVSTJZSA-N 380.532 3.832 0 40 GHAB O=C(NCCc1ccccc1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225735311 GLIFFDLZYXDRIV-MRXNPFEDSA-N 379.382 3.506 0 40 GHAB CC[C@H](C(=O)NC1CCCCCCC1)N(c1ccccc1F)S(C)(=O)=O 220599557 BVUVVKNNXPZANG-QGZVFWFLSA-N 384.517 3.599 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 225341067 TUVRRYHAPRFALQ-KRWDZBQOSA-N 388.533 3.509 0 40 GHAB CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220637243 QHYOUBFGXFYICN-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB COc1cc(COCC2CCN(C(=O)c3ccsc3)CC2)cc(OC)c1 77191415 ONVLGCAPXMDKIH-UHFFFAOYSA-N 375.490 3.834 0 40 GHAB COc1ccc(CN2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)CC2)cc1 96047540 JQEVEOCPYBYXCI-HSZRJFAPSA-N 379.504 3.638 0 40 GHAB Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)c3ccnn3C)CC2)c1 96183697 VLOMVCYHNMXBHC-QHCPKHFHSA-N 388.515 3.584 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)n1 257328404 XFMMICJLICCGFV-HXUWFJFHSA-N 378.476 3.833 0 40 GHAB Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](c4ccnc(N)n4)C3)cs2)cc1 671825888 VSPVGAPRBUNAMF-OAHLLOKOSA-N 379.489 3.511 0 40 GHAB Cc1cccc(OCC(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)c1C 67740097 ZEFDKKUMJIOQMA-UHFFFAOYSA-N 379.435 3.609 0 40 GHAB C[C@H]1C[C@H](c2ccc(Br)cc2)CN1Cc1ncccc1C(=O)O 629378410 SCIHCHFEKPRVSD-JSGCOSHPSA-N 375.266 3.920 0 40 GHAB O=C(Nc1ccccc1Cc1ccccc1)N1CCn2c(CC3CC3)nnc2C1 649938779 VRESMACZFCTCMF-UHFFFAOYSA-N 387.487 3.869 0 40 GHAB CO[C@@](C)(CNC(=O)C(=O)Nc1ccccc1SC)c1cccc(Cl)c1 96393137 IPUSWHINTWCYKM-IBGZPJMESA-N 392.908 3.678 0 40 GHAB O=C(N1CC2(C[C@@H](OCc3ccncc3)CS2)C1)C12CC3CC(CC(C3)C1)C2 575403712 MZLQGKQVNSADBK-KTKXKACQSA-N 398.572 3.901 0 40 GHAB C[C@@H]1CN(c2ccccc2NC(=O)c2cc3ccccc3oc2=O)C[C@@H](C)O1 55681911 VFIPPUJUAMYAIE-HUUCEWRRSA-N 378.428 3.659 0 40 GHAB Cc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(Cn3cccn3)cc2)n1 12201185 GBPRZLADLYDQQI-INIZCTEOSA-N 387.443 3.781 0 40 GHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nc2c(s1)CCc1c-2cnn1C 12241789 JOGWOQZEFMSBHU-AWEZNQCLSA-N 386.452 3.577 0 40 GHAB Cc1cccn2cc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)nc12 12547889 GKQHTLXINFABFN-UHFFFAOYSA-N 396.450 3.638 0 40 GHAB O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc21 13697008 GUEYLXMTODBPGK-UHFFFAOYSA-N 390.892 3.581 0 40 GHAB CCOCCn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 14095762 QFMVUOOLLZLFIF-MRXNPFEDSA-N 379.460 3.602 0 40 GHAB COc1ccc(NC(=O)NCCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 14106918 WPYCPMAGRVBYFA-SCUMNGBJSA-N 399.535 3.928 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccccc2N2CCCCC2)c1 15364987 MPMSVQHJFRTDBQ-UHFFFAOYSA-N 386.517 3.700 0 40 GHAB CNc1nc([C@H]2CCCCN2CC2CCCCC2)nc2c1CN(C(C)=O)CC2 19711615 HREWOHXEDYNDTN-HXUWFJFHSA-N 385.556 3.530 0 40 GHAB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1N1CCOCC1 19716600 ZMPOBHRHHHIBFC-GOSISDBHSA-N 396.487 3.564 0 40 GHAB COc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=S)NC(=O)CC(C)C 226350924 CVRBTFMIJBKEAC-UHFFFAOYSA-N 376.434 3.513 0 40 GHAB COc1ccc(C(=O)n2c(C)c(C(N)=O)c3ccccc32)cc1Br 226367898 VRLBCWXZWSVNRQ-UHFFFAOYSA-N 387.233 3.508 0 40 GHAB OCCc1cc(Br)ccc1OCc1cccnc1C(F)(F)F 530163585 HGASKBSVLPSNQB-UHFFFAOYSA-N 376.172 3.977 0 40 GHAB CCOc1ccc(C(=O)N2CCCN(C3CCSCC3)CC2)cc1OCC 1848788817 WNQQPBXHTSHRRR-UHFFFAOYSA-N 392.565 3.528 0 40 GHAB Cc1occc1-c1nnc(SC[C@H]2CSc3nnc(-c4ccncc4)n32)o1 26033745 FEAURARPIBZEOM-GFCCVEGCSA-N 398.473 3.731 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1F 35271196 SGWOTDFKCFXPOJ-SJORKVTESA-N 383.467 3.812 0 40 GHAB COc1ccnc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)c1 2037988554 UTBQJSZOQOOLFQ-QRWLVFNGSA-N 383.467 3.749 0 40 GHAB C[C@H]1Cc2nc(SCC(=O)Nc3cccc4ccccc34)n(C)c(=O)c2S1 4107775 YNSZYXRESNPLQQ-LBPRGKRZSA-N 397.525 3.701 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CSc2ccc(-c3ccccc3)nn2)cc1 4355363 RQGZSTUZFODBCK-UHFFFAOYSA-N 378.457 3.833 0 40 GHAB CCOc1ccccc1C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 5076030 SVKPKEITQOJENX-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccccc3)ccc21 8958846 QZELNZRIFLJSHL-UHFFFAOYSA-N 382.460 3.866 0 40 GHAB C[C@H]1CCCN(c2ccc3cccc(OCC(=O)NCc4ccco4)c3n2)C1 17245537 JBTDRRJAZFETCO-INIZCTEOSA-N 379.460 3.759 0 40 GHAB O=C(NC[C@@H]1CCCO1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1890391548 YXKLAINUCJHKHR-IBGZPJMESA-N 380.492 3.575 0 40 GHAB CCOCCn1/c(=N/C(=O)c2cccs2)sc2cc(OC)c(OC)cc21 101018402 HGWUHAWTHQZAGN-HNENSFHCSA-N 392.502 3.559 0 40 GHAB O=C(C[C@@H](NCc1ccco1)C(=O)O)Nc1ccc(Nc2ccccc2)cc1 5257994 JUFREVLYXHOVNK-LJQANCHMSA-N 379.416 3.595 0 40 GHAB Cc1[nH]c2nc(NCc3cccc(Cl)c3)nn2c(=O)c1Cc1ccccc1 9329991 ZJYSQSOCUATSOV-UHFFFAOYSA-N 379.851 3.582 0 40 GHAB O=C(Cc1csc(-c2ccccn2)n1)NC[C@@H](c1ccccc1)N1CCCC1 40012821 RPIHLHAQUKMIAM-FQEVSTJZSA-N 392.528 3.701 0 40 GHAB CN1CCc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)C1 20023501 UCUUAPWEMZSRTO-UHFFFAOYSA-N 387.468 3.853 0 40 GHAB CCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O 40114101 XQBBSGBJNRFVTO-OAQYLSRUSA-N 381.432 3.528 0 40 GHAB CCOC(=O)c1c(NC(=O)Cn2nc(C)cc2C)sc2c1CC[C@@H](C)C2 873389 UYHQBRPDPKJSHH-LLVKDONJSA-N 375.494 3.502 0 40 GHAB COC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1CCCC2 1965155 KBFPYRIJMALDQT-UHFFFAOYSA-N 375.446 3.683 0 40 GHAB Cc1c(C(=O)NCCc2ccc(Cl)cc2)nnn1-c1cccc(Cl)c1 51317676 YVQGIPDAPXHRNH-UHFFFAOYSA-N 375.259 3.855 0 40 GHAB Cc1ccc2nc(NC(=O)CSc3nc(N)c4ccsc4n3)sc2c1 32035632 VOJKWXQBPZXKSP-UHFFFAOYSA-N 387.515 3.922 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1)N1CCCC1 4356236 FTBQHERAZZAMNH-UHFFFAOYSA-N 399.907 3.697 0 40 GHAB CCCN(CCC)C(=O)CSc1nnc(-c2ccncc2)n1CC(C)C 6654586 LDWIDSXUAOEUMV-UHFFFAOYSA-N 375.542 3.737 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cs2)cc1 6680884 CLXLHLSHYBMKTA-AWEZNQCLSA-N 378.519 3.729 0 40 GHAB Cc1ccc(OCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 6845608 CWFHMAOCQQJSIB-UHFFFAOYSA-N 386.407 3.813 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)C(=O)c1c(-c2ccccc2)cc2ccccn12 7604369 BLHIFMXUECMQPB-UHFFFAOYSA-N 398.418 3.834 0 40 GHAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)c1 7882257 VRYQLVKXRVIKRH-GOSISDBHSA-N 394.471 3.860 0 40 GHAB O=C(CSC1CCCC1)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101323036 CMUZZZSAWBEGNP-HZPDHXFCSA-N 393.574 3.658 0 40 GHAB COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(F)c2)cc1 20718586 NJWQMSJWTWCLJC-LJQANCHMSA-N 394.406 3.515 0 40 GHAB CCc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 8415053 XYZJLSBDTPKXOA-UHFFFAOYSA-N 382.460 3.766 0 40 GHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3cccc(C)c3)cc21 8959514 ZRLXBGQQNQWKJU-UHFFFAOYSA-N 382.460 3.784 0 40 GHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccc(C)cc3)cc21 8959515 VZKRNUIABOLECD-UHFFFAOYSA-N 382.460 3.784 0 40 GHAB O=C(COC(=O)c1cncn1-c1ccc(F)cc1)c1ccc2c(c1)CCCC2 21510361 UCTYFSMRVJEDEK-UHFFFAOYSA-N 378.403 3.930 0 40 GHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(C)(=O)=O)cc1 32894396 MJSBKJXYOXRRIU-AWEZNQCLSA-N 375.490 3.794 0 40 GHAB COC[C@H](C)n1c(SCC(=O)c2cc(C)n(C)c2C)nc2ccccc2c1=O 2618689 KVGWWMSDYDEQCG-AWEZNQCLSA-N 399.516 3.534 0 40 GHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccccc2F)n2ncnc2N1 2918090 UUDIHSBAQOHFDU-IBGZPJMESA-N 377.423 3.962 0 40 GHAB Cc1ncc(CN(C)C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)s1 47507495 RMAGELQONYNFJO-UHFFFAOYSA-N 393.534 3.832 0 40 GHAB CCOC(=O)c1sc(NC(=O)N(C)Cc2ccco2)c(C(=O)OCC)c1C 24561801 HXPYIMZTUYKMLS-UHFFFAOYSA-N 394.449 3.667 0 40 GHAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 1459933 NPPOJTQKSABEPT-MRXNPFEDSA-N 382.460 3.864 0 40 GHAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(C1CCCCCC1)CO3 57143298 KHZWDBMRTQDTOL-UHFFFAOYSA-N 385.460 3.692 0 40 GHAB CC(=O)c1cccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)c1 3241063 UXOOGWOFMNIWQE-UHFFFAOYSA-N 382.441 3.613 0 40 GHAB CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 35485632 VZDDYUWVNMROSI-AYPBNUJASA-N 390.414 3.794 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 57406190 MSQLUGIYLDHSBO-CQSZACIVSA-N 391.874 3.637 0 40 GHAB CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nn1C(C)(C)C 44372597 BYTGDUWAHHAWIS-AWEZNQCLSA-N 391.537 3.656 0 40 GHAB COc1ccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(C)c2=O)cc1 57528042 SGYFXSVPTBBINU-UHFFFAOYSA-N 397.862 3.828 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccc(C)cc2C)c(-c2ccc(F)cc2)n1 57508659 FEUCOWXXPGUZRG-UHFFFAOYSA-N 379.435 3.867 0 40 GHAB CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O 22330058 FRHDCPTUPLWXRU-KRWDZBQOSA-N 388.533 3.509 0 40 GHAB CC(C)Cn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 409101290 XRUGQHRTCVXUSL-UHFFFAOYSA-N 378.929 3.969 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(F)cc3)n2C)c1 3331764 GRVJQZOILBMPPH-CYBMUJFWSA-N 398.463 3.943 0 40 GHAB Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 3345584 QNNKILNEUWZAFN-YJBOKZPZSA-N 393.516 3.645 0 40 GHAB CC[C@@H](NS(=O)(=O)c1cc(F)ccc1F)c1nc(-c2ccccc2)c[nH]1 58218817 PGTZERQTJDSIGQ-OAHLLOKOSA-N 377.416 3.785 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(OC(F)(F)F)cc1 58337638 FARYEJJCHMAKNX-GFCCVEGCSA-N 393.365 3.761 0 40 GHAB Cc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 58377277 WZUYKQIXBLZCPU-UHFFFAOYSA-N 376.217 3.506 0 40 GHAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc1C 408620740 LIUQXDCETBFJJO-UHFFFAOYSA-N 386.395 3.564 0 40 GHAB CCCCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 2286178 SXEXNMFVNCOQGD-UHFFFAOYSA-N 394.880 3.587 0 40 GHAB Cc1ccc(SCC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c(C)c1 12783231 BKNXZROVVGFFRI-UHFFFAOYSA-N 396.556 3.951 0 40 GHAB C[C@@H](NC(=O)c1cc2c(Cl)cccc2[nH]1)c1ccc(S(C)(=O)=O)cc1 12744844 ISMDACWWSWXIKR-LLVKDONJSA-N 376.865 3.716 0 40 GHAB CCCc1nc2oc3c(NCCCN(C)C)ncnc3c2c2c1COC(C)(C)C2 2346113 AIFNXFMXGFIMSD-UHFFFAOYSA-N 397.523 3.938 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 12882407 GLCPWMSAAKDDIY-UHFFFAOYSA-N 392.290 3.639 0 40 GHAB Cc1ccccc1[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(F)(F)F 12854532 AKALVWZVKAXKOP-MRXNPFEDSA-N 376.334 3.702 0 40 GHAB CCn1c(SCc2cc3c(cc2Br)OCO3)nnc1C1CC1 7618566 BLUJVZHIDUXQQH-UHFFFAOYSA-N 382.283 3.959 0 40 GHAB CCCOc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1OC 3450685 UPBZDQOCVGMWST-UHFFFAOYSA-N 375.421 3.762 0 40 GHAB O=C(Cc1c(Cl)cccc1Cl)N1CCN(C(=O)c2cccs2)CC1 12900132 CWPVGGVUOJSVBN-UHFFFAOYSA-N 383.300 3.582 0 40 GHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1cc(Cl)cc(Cl)c1 12987042 OGIPGQSVHIQNSH-UHFFFAOYSA-N 382.178 3.588 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C)c1ccc(Br)cc1 12901376 DNTNMZVBRKDZDR-LBPRGKRZSA-N 385.261 3.753 0 40 GHAB Nc1cc(F)ccc1C(=O)OCc1csc(COc2ccc(F)cc2)n1 12925125 FZUMUERYZNNQRM-UHFFFAOYSA-N 376.384 3.940 0 40 GHAB Cc1cccc(N2CCN(CC[C@H](C)NC(=O)NCc3cccc(F)c3)CC2)c1 48562114 YKIQZCLLRJTHQD-IBGZPJMESA-N 398.526 3.534 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCSc3ccccc32)c1 7988328 FOVRLZJISBOBKA-OAHLLOKOSA-N 381.906 3.710 0 40 GHAB CCOc1ccccc1NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 8494736 RLWZJUYPYJYXAM-UHFFFAOYSA-N 390.505 3.579 0 40 GHAB COc1ccc(-c2nc(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)cs2)cc1 8005353 CUUAGPHSUDSQFT-GOSISDBHSA-N 396.468 3.805 0 40 GHAB COc1ccc(/C=C/c2nn3c(CN4CCCCCC4)nnc3s2)cc1OC 49550265 YGYOKYNNWFMQEH-CSKARUKUSA-N 399.520 3.749 0 40 GHAB Cc1c(C(=O)Nc2ccc(C(=O)O)cc2)nnn1-c1cccc(C(F)(F)F)c1 5033390 OYMVAANXESGYDB-UHFFFAOYSA-N 390.321 3.545 0 40 GHAB Fc1ccc(CNCc2cccc(Oc3nnnn3-c3ccccc3)c2)cc1 13717672 WQVNFOZJQPNVSL-UHFFFAOYSA-N 375.407 3.884 0 40 GHAB O=C(Nc1cccc(C2SCCCS2)c1)c1ccc(-n2ccnc2)nn1 65476607 VPCJHVYYAOMIAV-UHFFFAOYSA-N 383.502 3.783 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1 23143373 RJFSNOYOSZJZNK-MRXNPFEDSA-N 388.471 3.931 0 40 GHAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@H]1CCOc2ccccc21 14184068 CQJJODNBKVDPEH-INIZCTEOSA-N 383.835 3.963 0 40 GHAB C[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H](C)O1 17324760 IJDGOKJRTGWZHX-RNFRBKRXSA-N 383.105 3.523 0 40 GHAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O 8312323 SZCOABZVBXYLGK-HSZRJFAPSA-N 387.439 3.798 0 40 GHAB Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CCn2ccccc2=O)n3C)c1 6665130 DLISHZLGUOZFRK-UHFFFAOYSA-N 386.455 3.538 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCc1ccccc1 6779510 YDZHHZFQGDZUNF-KRWDZBQOSA-N 389.293 3.520 0 40 GHAB CC[C@H](C)NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 113940933 RLHBUHOCFSLUSV-ZDUSSCGKSA-N 398.887 3.589 0 40 GHAB CCc1ccc(OCc2nnc(SCC(N)=O)n2[C@H](C)c2ccccc2)cc1 4987783 KDNIKHNLPOSUIF-OAHLLOKOSA-N 396.516 3.606 0 40 GHAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccc(F)cc4)c3C)ns2)cc1 6914459 LTXJUHDJRQHDMC-UHFFFAOYSA-N 394.435 3.794 0 40 GHAB CCOC(=O)CSCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 15181240 HICJOXZYELNSIM-ZDUSSCGKSA-N 394.543 3.784 0 40 GHAB Cc1ccccc1C(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)c1 17949907 ICENQYHYSLHPCM-YSGRDPCXSA-N 375.424 3.916 0 40 GHAB Cc1c(N2C(=O)[C@H](C)S[C@H]2c2ccccc2)c(=O)n(-c2ccccc2)n1C 8715618 QKWGWRNFIYSVPV-BTYIYWSLSA-N 379.485 3.652 0 40 GHAB Cc1cc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nc(C(C)C)n1 9048493 VRZIFGUMFSSOCN-CQSZACIVSA-N 384.505 3.764 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(Br)cc1Cl 9038880 MZXJERJQTIVDLZ-UHFFFAOYSA-N 381.613 3.649 0 40 GHAB Cc1cc(C)nc(SCc2nn3c(Cc4ccccc4F)nnc3s2)n1 19910068 DVIAXSAGINDFLY-UHFFFAOYSA-N 386.481 3.615 0 40 GHAB C[C@@H]1CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)c2ccccc2S1 71906564 IQLNRJNESBQKMF-MRXNPFEDSA-N 387.549 3.832 0 40 GHAB O=C(Nc1nnc([S@](=O)Cc2ccccc2)s1)c1ccc(Cl)cc1 72238652 SMNNQMOFOWYLSN-DEOSSOPVSA-N 377.878 3.752 0 40 GHAB CC(C)(C)OC(=O)N1CCC(CC(=O)N2CC(c3nc4ccccc4[nH]3)C2)CC1 84200127 QYPDEBQKBXRUHN-UHFFFAOYSA-N 398.507 3.526 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCOC(C)(C)C3)s2)cc1OC 95480454 SYZPCELLSVCCMK-AWEZNQCLSA-N 390.505 3.823 0 40 GHAB CO[C@H](C)c1noc(CCC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)n1 79016238 RXQPSNWCNCWBKB-CQSZACIVSA-N 382.420 3.844 0 40 GHAB Cc1cccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1 409095775 IVOLPSKSBMVGPE-GZTJUZNOSA-N 384.457 3.774 0 40 GHAB O=C([C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCc2cc(O)ccc2C1 1515043077 PRDOKZGUHCMQFJ-SJORKVTESA-N 377.362 3.979 0 40 GHAB COc1ccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)c(OC)c1 32609662 ZICSIXNDGGFXHU-UHFFFAOYSA-N 389.814 3.993 0 40 GHAB O=C(NCC1(Cc2ccc(F)cc2)CC1)N1CC[C@H](n2cc(Cl)cn2)C1 519573163 UGFMKFNJYUPKPS-KRWDZBQOSA-N 376.863 3.655 0 40 GHAB COc1ccc([C@@H](CNC(=O)[C@]2(C)CCCN2)c2c[nH]c3ccccc23)cc1 519652223 JZGXOXYMUJPYPH-XXBNENTESA-N 377.488 3.567 0 40 GHAB CCS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1 527901847 GOMQRVKIIRISQY-GOSISDBHSA-N 392.908 3.620 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 219704634 CSFYBQJOJCSNQC-KRWDZBQOSA-N 396.512 3.646 0 40 GHAB Cn1nccc1[C@@H]1C[C@@H](NC(=O)Nc2ccnc(-c3ccccc3)c2)CCO1 567342292 FTVPMUUMYMVFEV-PXNSSMCTSA-N 377.448 3.524 0 40 GHAB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1F 224516423 XESMKNCAGQLUAK-SFHVURJKSA-N 384.495 3.600 0 40 GHAB CC[C@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C)cc1 223409527 GQDDRUKMJJJZQG-AWEZNQCLSA-N 376.478 3.793 0 40 GHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(O)cc2)n2ncnc2N1 40484554 QCDDQVBHYDMMAA-KRWDZBQOSA-N 381.823 3.565 0 40 GHAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223965516 ARMABDOYHZUBGT-IQUTYRLHSA-N 388.464 3.545 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1F 223842762 MCSJXRIETVQLCO-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB CCOc1ccc(NC(=S)NCc2ccccc2CN2CCCC2=O)cc1 45704440 QIYOBNMUXCRFHE-UHFFFAOYSA-N 383.517 3.694 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(OC3CCCC3)cc2)cc1F 225119242 OEWNJRWYZAVDSR-UHFFFAOYSA-N 379.453 3.981 0 40 GHAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(NC(=O)c2ccccc2)cc1 85875992 MMDNYTWXTVQCBE-RBBKRZOGSA-N 391.515 3.933 0 40 GHAB biogenic CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 225059817 KODJZUMALQCSTB-QGZVFWFLSA-N 386.923 3.869 0 40 GHAB Cc1cccc(-c2noc(CNC(=O)c3ccc(Cn4ccnc4C)cc3)n2)c1 225299737 SOVYXYUYSSVVMK-UHFFFAOYSA-N 387.443 3.528 0 40 GHAB COc1ccc(CCC(=O)N2CCC(CSC3=NCCS3)CC2)cc1 77101465 AXTYAEBEJUQVJT-UHFFFAOYSA-N 378.563 3.702 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@]2(C[C@@H](CN3CCCC3)CO2)C1 96228367 GFIPCKSLOXAKQB-GBXCKJPGSA-N 393.531 3.584 0 40 GHAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)NC3CCCC3)CC2)Oc2ccccc21 96242937 DVNWVEAYDXETRJ-QGZVFWFLSA-N 399.535 3.518 0 40 GHAB CN(CCOc1ccc(F)cc1)C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 141568785 BVTBWCJOLPHSMU-FQEVSTJZSA-N 390.842 3.900 0 40 GHAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(/C=C\C(=O)OC)cc1OC 98004212 UJAGSQHLKDNQAB-HVCHUGMYSA-N 399.443 3.686 0 40 GHAB CO[C@@]1(C)CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 530305494 FUQVZYHGYLRRHF-IBGZPJMESA-N 399.457 3.734 0 40 GHAB COc1ccc(C)cc1NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 244261249 WMRVAPAOLOKRFA-UHFFFAOYSA-N 388.467 3.890 0 40 GHAB O=C(O)COc1ccc(CN2C[C@H]3[C@@H](Oc4ccc(F)cc4)CC[C@H]3C2)cc1 257324830 WQJKJPYOPYOIEM-DQLDELGASA-N 385.435 3.579 0 40 GHAB CCc1ccc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 1615127239 DNQVMOIBLGTBOH-UHFFFAOYSA-N 382.479 3.786 0 40 GHAB CC(=O)c1cccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 1368278 NYIRPGMQQGRKRO-UHFFFAOYSA-N 387.486 3.535 0 40 GHAB COc1ccc(N/C=C2\C(=O)c3cc(C)ccc3O[C@H]2SCC(=O)O)cc1 5659509 CMCKPKJIRIQXHF-QGRTWZNFSA-N 385.441 3.719 0 40 GHAB N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(O)cc1)C(=O)O 5081019 AOGPWKNXGPIRNB-HXUWFJFHSA-N 379.481 3.829 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccccc2)cc1 5747322 VFADQAXWCHIVBL-NOEYKIMYSA-N 390.439 3.937 0 40 GHAB CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 13672654 BKSHGCBPZVHVJN-UHFFFAOYSA-N 392.908 3.791 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 13710797 AVELOXCCLCADAZ-CQSZACIVSA-N 387.432 3.513 0 40 GHAB CN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccc1 15349439 CWZICTXQYNPUPH-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB CCOC(=O)[C@@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O 607858 XFVPZJMXRNBHLQ-MRXNPFEDSA-N 377.227 3.715 0 40 GHAB in-man CCC(=O)N1CCC2(CCCCCc3ccccc3OCCN(C)C2=O)CC1 643565156 UBSPYWGDTIHVIY-UHFFFAOYSA-N 386.536 3.659 0 40 GHAB O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3608128 KZCUABSDNRGNMM-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1ncc(-c2ccc(Cl)cc2)o1 11380091 RDMZDZUUCZUHCH-NRFANRHFSA-N 393.830 3.889 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)Cc3ccccc3)s2)cc1 4077762 GPLVJRKYYMEAPC-UHFFFAOYSA-N 398.513 3.759 0 40 GHAB Cc1cc2ccccc2n1CCNS(=O)(=O)c1ccc(Br)cc1 4060465 CAFYTYHRRRBZDC-UHFFFAOYSA-N 393.306 3.691 0 40 GHAB CN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 10812379 LWPFTBURRJRLMU-CQSZACIVSA-N 398.937 3.608 0 40 GHAB Cc1cc(OC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc(=O)n1C 575610719 NYVYNDXXQZUXPA-UHFFFAOYSA-N 395.286 3.684 0 40 GHAB COc1ccccc1OCC(=O)NCc1cc(-c2cc3ccccc3o2)on1 22768745 LGPNUWNWCCYJMW-UHFFFAOYSA-N 378.384 3.792 0 40 GHAB Cc1ccc([C@H](CNC(=O)Cc2cccc3ccccc23)N2CCOCC2)cc1 23105848 ICCVQRKZHJYLQC-DEOSSOPVSA-N 388.511 3.880 0 40 GHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225678480 HSLFYBOFHYYRDW-CYBMUJFWSA-N 399.390 3.612 0 40 GHAB O=S(=O)(NCC[C@@H](CCO)c1cccs1)c1ccc(C(F)(F)F)cc1 575608323 SKVGAXAHYGFBEM-LBPRGKRZSA-N 393.452 3.602 0 40 GHAB CCc1nc2ccccc2c(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1C 2658956 LXWFLONREZZWMR-UHFFFAOYSA-N 388.423 3.559 0 40 GHAB CC(C)[C@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cccs1 40097164 PDPIBMOQPTWAHP-INIZCTEOSA-N 381.523 3.517 0 40 GHAB CN1CCN(C(=O)c2ccc(OCc3ccncc3)cc2)[C@@H](c2ccccc2)C1 40069892 HQQAUIVNIVCHBX-HSZRJFAPSA-N 387.483 3.790 0 40 GHAB O=C(NOCc1ccccc1)c1cnn(-c2ccccc2F)c1-n1cccc1 30114008 XLIVCTOTNBMJAZ-UHFFFAOYSA-N 376.391 3.664 0 40 GHAB O=C(O)c1csc(S(=O)(=O)Nc2ccc(Br)cc2Cl)c1 15245333 ZQWBSUXXHGNCJN-UHFFFAOYSA-N 396.671 3.663 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2cccc(OC)c2)c(C(=O)OCC)c1C 845548 AERKQPJSAIQZLV-UHFFFAOYSA-N 391.445 3.671 0 40 GHAB O=C(NC1CCCCC1)[C@@H](c1ccco1)N(Cc1ccco1)C(=O)C(F)(F)F 1366028 BVJDTXXFFPWQDU-MRXNPFEDSA-N 398.381 3.954 0 40 GHAB CCOc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(OC)c1 1379786 ZWZDKUDBNFWPQT-GOSISDBHSA-N 383.448 3.729 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N1CCCCC1 3468337 QWPPUSKZNWUNKU-UHFFFAOYSA-N 397.475 3.629 0 40 GHAB CCOC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(OCC)cc1 4852413 MWROCSGTOAMXCD-UHFFFAOYSA-N 387.461 3.890 0 40 GHAB Cn1c(C(=O)O[C@H](C(=O)NC2CCCCC2)c2cccnc2)cc2sccc21 4923986 OTMJRDHDDDGJRJ-IBGZPJMESA-N 397.500 3.982 0 40 GHAB aggregator CCn1c(-c2ccccc2)c(C(=O)CSc2nnnn2C)c2ccccc21 6361840 GUDIRXXHXHUDCA-UHFFFAOYSA-N 377.473 3.827 0 40 GHAB CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2O)S/C1=N/c1ccc(OC)cc1 6954463 IIOLPIZAJFAZMN-KERPIWHLSA-N 399.428 3.933 0 40 GHAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C)o2)c1 7605336 ADMIFUZVSHAGHP-UHFFFAOYSA-N 382.445 3.734 0 40 GHAB CCOc1ccccc1N1C[C@H](C(=O)Oc2cccc3cccnc23)CC1=O 7929365 MVNQGTBPPWXNFE-MRXNPFEDSA-N 376.412 3.592 0 40 GHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nccs2)C12CCCCC2 20717205 REDCZMLFEPNOEE-QGZVFWFLSA-N 399.516 3.671 0 40 GHAB O=C(O)c1ccc([C@@H]2SC=C3Sc4nnc(-c5ccccc5)n4N32)cc1 20715868 FEJBPYYETGGQND-INIZCTEOSA-N 380.454 3.932 0 40 GHAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(Br)c1)CC(O)=N2 20744832 JZJASNMYWATLCI-ZDUSSCGKSA-N 384.237 3.857 0 40 GHAB CC[C@@]1(c2ccc(C)cc2)NC(=O)N(Cc2nc(-c3ccccc3C)no2)C1=O 8075910 JYJMLTOANXDINT-QFIPXVFZSA-N 390.443 3.711 0 40 GHAB Cc1ccc(/C=C/C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl 29480360 QDCVYTWVYCRVIC-JBNJFFQFSA-N 392.908 3.529 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC1(c2ccccc2)CC1 11750163 VGQFYMMOLAFGHS-LJQANCHMSA-N 384.907 3.942 0 40 GHAB CC(C)c1ccc(-c2csc(NC(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)n2)cc1 101951746 QGYBQIBQXQSKFO-NXOAAHMSSA-N 386.473 3.750 0 40 GHAB Cc1[nH]c(SCC(=O)N2CCc3ccccc3C2)nc1Cc1ccccc1 9946811 WOJWBGWQQGXFIA-UHFFFAOYSA-N 377.513 3.986 0 40 GHAB Cc1cc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)sn1 56903885 LYMPTFFCPLBLER-UHFFFAOYSA-N 385.518 3.825 0 40 GHAB Cc1ccc(-c2cnn(CC(=O)Nc3cccc(Cl)c3Cl)c(=O)n2)cc1 33324563 ZEOJEXISUPFKMD-UHFFFAOYSA-N 389.242 3.559 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2O)c(C)n1-c1nccs1 7200310 NSPSSMGAEGYUOK-UHFFFAOYSA-N 390.848 3.949 0 40 GHAB C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccncc1 22622248 JFLJUDJBRZJDFR-CQSZACIVSA-N 399.447 3.513 0 40 GHAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2F)cc1 42218268 YVGNTUALNMXFSP-UHFFFAOYSA-N 398.459 3.995 0 40 GHAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118930544 JKXQEBJVZBCFGF-NIKNXNMPSA-N 390.520 3.929 0 40 GHAB O=C(CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)Nc1ccccc1O 54360756 UQLOBYIFWYGSEB-WJDWOHSUSA-N 386.404 3.596 0 40 GHAB CN(C)c1ccccc1NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 47486859 ZSKXJVDPMVKDIY-UHFFFAOYSA-N 388.462 3.817 0 40 GHAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(Cl)c1 3073397 LJUVMEMHERBKQI-OAHLLOKOSA-N 397.814 3.704 0 40 GHAB Cc1nnc(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1Cc1ccccc1 106539420 JPNXWUXTYKWEKI-UDTPNQRGSA-N 384.549 3.668 0 40 GHAB C[C@H](Nc1ccccc1SCC(N)=O)C(=O)Nc1cccc(C(F)(F)F)c1 7370451 WUHGFOMHEWGAOW-NSHDSACASA-N 397.422 3.722 0 40 GHAB COc1cc(Cl)c(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1OC 43939100 OGEZEZYSHPEBFY-CYBMUJFWSA-N 383.901 3.843 0 40 GHAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ccc(O)cc2)CC1 57024289 XOGMMJOMCSIGGW-ZDUSSCGKSA-N 394.302 3.848 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)c1cccn1C)CC2 35335099 SUQPKHLJDMGUOH-XMMPIXPASA-N 390.483 3.873 0 40 GHAB COc1ccccc1CC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 7408054 BDQLXLSWUMVDTC-UHFFFAOYSA-N 381.259 3.642 0 40 GHAB Cc1ccc(CNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 113956290 PIAAUMSNIKFNTC-UHFFFAOYSA-N 394.924 3.511 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 57416745 UEKIBUNFDJOLMH-UHFFFAOYSA-N 381.863 3.986 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cccc(Br)c1 22356080 SMADUYXZTWSXML-LBPRGKRZSA-N 388.265 3.625 0 40 GHAB O=C(Nc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1cccs1 7505241 WMACJWAWELVJPW-UHFFFAOYSA-N 376.434 3.940 0 40 GHAB CNC(=O)c1ccc(CN(Cn2nc(C3CC3)n(C3CC3)c2=S)C2CC2)cc1 27540281 XLQWDIAGMAHDQU-UHFFFAOYSA-N 397.548 3.608 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@]1(N(C)C)CCC[C@@H](C)C1 58265263 YWZBKWHZWSXUEO-IVZQSRNASA-N 386.515 3.869 0 40 GHAB COc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)C(C)C 10428941 XFCYCYVSKIZMKP-OAQYLSRUSA-N 395.503 3.689 0 40 GHAB CCC(CC)NS(=O)(=O)c1ccc(N2CCc3[nH]c4ccccc4c3C2)nc1 58406820 LGKDPEMBXXUXDN-UHFFFAOYSA-N 398.532 3.593 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CCc3ccccc3)CC2)cc1 10680618 NGSLTTUCXXBIDH-UHFFFAOYSA-N 386.517 3.679 0 40 GHAB O=C(CSCc1cc(Cl)c2c(c1)OCCO2)NCCc1ccc(F)cc1 28259300 KVOXSPOHXYXQAU-UHFFFAOYSA-N 395.883 3.842 0 40 GHAB Cc1cc(NC(=O)c2ccn(COc3ccccc3)n2)n(Cc2ccccc2)n1 28245557 BYXNHQSYWKGNIP-UHFFFAOYSA-N 387.443 3.725 0 40 GHAB O=C(O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1Cl 3316006 MZXWKBGUELEIRF-GOSISDBHSA-N 389.860 3.988 0 40 GHAB NC(=O)N1CCC(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 12758143 ZBNVDPAZCBQFMB-UHFFFAOYSA-N 381.520 3.884 0 40 GHAB Cc1nc(SCc2c(C)nn(-c3ccccc3)c2Cl)sc1CC(N)=O 48289324 AESDEFKTZQFGQA-UHFFFAOYSA-N 392.937 3.919 0 40 GHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 12860501 ZMNBFMUIUOPOFC-OAHLLOKOSA-N 398.890 3.580 0 40 GHAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(F)cc1Cl 12889798 PJDJOXOOALZHEW-UHFFFAOYSA-N 395.906 3.532 0 40 GHAB CCn1c(=O)n(CCC(=O)N(Cc2ccccc2F)C2CC2)c2ccccc21 24701262 OPQUBDUWTSGMPS-UHFFFAOYSA-N 381.451 3.543 0 40 GHAB CCCCCOc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3n2)cc1 3649057 YGTDPCCYYFHMOY-LGMDPLHJSA-N 381.457 3.528 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCc4ccncc4)c(C)c3cc12 4000415 MZHULTMSKJACNH-UHFFFAOYSA-N 376.412 3.718 0 40 GHAB biogenic CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1 16468981 OLGIVCLRJGZTJL-IBGZPJMESA-N 396.487 3.979 0 40 GHAB CC1=C[C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N2c2ccccc21 13627983 URWWPGYCVYYYMF-XWSJACJDSA-N 394.515 3.676 0 40 GHAB Cc1ccc(SCCNS(=O)(=O)c2ccccc2Br)cc1 17331776 WAGOPUVNJOVDMH-UHFFFAOYSA-N 386.336 3.828 0 40 GHAB CCCCOC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 6107124 QFYKHSIXWIKZNF-UHFFFAOYSA-N 383.473 3.525 0 40 GHAB COc1ccc(Cl)cc1NC(=S)N1CCN(c2cccc(O)c2)CC1 6398488 CTVXMXSTVYHLFM-UHFFFAOYSA-N 377.897 3.573 0 40 GHAB CSc1ncccc1C(=O)Nc1cc2c(cc1Br)OCCO2 14122407 ZNKQZZCLOUVQKN-UHFFFAOYSA-N 381.251 3.590 0 40 GHAB CCCCCC(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 5492078 PKJMFMQJEIZHJZ-UHFFFAOYSA-N 395.438 3.881 0 40 GHAB COc1ccc(NC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)cc1 4699103 LYEXCTARNURYPO-UHFFFAOYSA-N 383.231 3.596 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCC(=O)c2ccc(F)cc2)c1 5654776 BKVNJOYZULJOPU-CQSZACIVSA-N 385.391 3.562 0 40 GHAB CCOc1ccc(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)c(OCC)c1 5673347 PNMQWHCCVHWYCI-PDGQHHTCSA-N 398.484 3.755 0 40 GHAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1n[nH]c2nc3ccccc3n12 8778535 RVYGSLZQNGIPFQ-CYBMUJFWSA-N 377.473 3.671 0 40 GHAB COc1cc2c(c3oc(=O)c(CCC(=O)N4CCCC4)c(C)c13)CCC(C)(C)O2 8764687 ZWTYDEKTAVGNKB-UHFFFAOYSA-N 399.487 3.769 0 40 GHAB biogenic CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)cc1 8705774 UEXNPUNBIFZSGP-UHFFFAOYSA-N 387.411 3.977 0 40 GHAB CCc1ccc(NC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 113962564 LRDOBHUTKBBIOY-UHFFFAOYSA-N 388.533 3.996 0 40 GHAB Cc1nc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)sc1C 71283815 DJYXNRWTJWUCPM-UHFFFAOYSA-N 399.925 3.596 0 40 GHAB Cc1[nH]n(-c2ccccc2)c(=O)c1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 96011843 GRAKTRMWBRRSNW-BQYQJAHWSA-N 397.818 3.508 0 40 GHAB Cc1ccc(C(=O)N(C)C2CCCCC2)cc1S(=O)(=O)N1CCCCCC1 20450654 HTPMRDWHIFZGLB-UHFFFAOYSA-N 392.565 3.964 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)CN2CC[C@@H]2c2ccccc2F)c(OC)c1 72308979 QDTSTZRYZVGEAL-RTWAWAEBSA-N 398.478 3.953 0 40 GHAB CC(C)n1cc(Br)cc1C(=O)N1CCN(c2ccccc2F)CC1 97464660 PCWZJNNQCNQELR-UHFFFAOYSA-N 394.288 3.933 0 40 GHAB CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccsc2)CC1 95958860 YJPCFNNECKFSPT-UHFFFAOYSA-N 392.908 3.544 0 40 GHAB CCS(=O)(=O)c1ccc(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)n1 95964748 SPSHNZQBRGZQPM-UHFFFAOYSA-N 392.786 3.800 0 40 GHAB O=C(CN1CCCCC1)Nc1cc(Br)ccc1Br 409385490 MKIUMVAGIBJXHS-UHFFFAOYSA-N 376.092 3.636 0 40 GHAB Cc1ccccc1N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 55208483 HYXLMQUJWYXPDS-UHFFFAOYSA-N 393.409 3.654 0 40 GHAB COc1cccc(-c2cc(C(=O)NCc3cccs3)c3c(C)nn(C)c3n2)c1 36617055 QUGYFPDUXMTVBZ-UHFFFAOYSA-N 392.484 3.944 0 40 GHAB COc1ccc(OC)c(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)c1 409224196 KBGMUEDJNIADNY-WOJGMQOQSA-N 383.425 3.623 0 40 GHAB CNc1cc(Nc2nccc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)ncn1 72377416 UJHNGTNUTSNWLI-MRXNPFEDSA-N 393.470 3.571 0 40 GHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)CSCc1ccc(C)cc1 31579573 QPGFYPQNDVMSDX-UHFFFAOYSA-N 386.517 3.724 0 40 GHAB O=C(NCCCN1CCc2ccccc2C1)c1ccc(Br)cc1F 32400275 HXXVZLHZMILRKZ-UHFFFAOYSA-N 391.284 3.766 0 40 GHAB COc1ccc(CCNC(=O)c2cc3c([nH]c4ccccc43)c(=O)s2)cc1 1565524981 UEOPLQMFQFOYGA-UHFFFAOYSA-N 378.453 3.724 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)C1 32841548 PCQNINAUJCQNPU-OAHLLOKOSA-N 386.496 3.551 0 40 GHAB Cc1ccc(C)c(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccccc2)c1 225186489 WLSZTSZCUHYORE-SFHVURJKSA-N 388.533 3.659 0 40 GHAB Cc1ccc(-c2noc(CN(C)C(=O)C3(c4ccccc4)CCOCC3)n2)cc1 225769662 DCILMDKXFRKTKV-UHFFFAOYSA-N 391.471 3.752 0 40 GHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCOCC4)cc3)s2)cc1 223977114 BDETWYBMVNVZKX-UHFFFAOYSA-N 394.500 3.598 0 40 GHAB CN(C)C(=O)N1CCC(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CC1 40131940 QDGGHVVVKGJOPS-UHFFFAOYSA-N 399.466 3.628 0 40 GHAB CC(C)CSc1nnc(NC(=O)CCc2ccc3c(c2)OCCO3)s1 222888561 ZMZMDGSBZQILRE-UHFFFAOYSA-N 379.507 3.629 0 40 GHAB Cc1cc2cc(NC(=O)N3CC4(CCC4)[C@@H]3C3CCOCC3)ccc2n(C)c1=O 572514145 JYJQWRGHSBHGDG-FQEVSTJZSA-N 395.503 3.660 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCOc2ccccc2Cl)c1 225780368 SVIZIJOYTYYQMA-UHFFFAOYSA-N 378.881 3.882 0 40 GHAB CNC(=O)C[C@H]1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)Oc2ccccc21 96243021 VCQYDLCMRAKSBU-KRWDZBQOSA-N 396.487 3.574 0 40 GHAB O=C(c1cc(Nc2ccccc2)ncn1)N1CCN[C@H](c2cccc(Cl)c2)C1 585085563 GADJWPBKCBYZQM-IBGZPJMESA-N 393.878 3.660 0 40 GHAB Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 257246573 IUSHVIFPRLASEP-SGQUHAKNSA-N 388.471 3.853 0 40 GHAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)cc4)OCC[C@@]31C2 257328464 XFSUNCJZKJRBJR-DDRMBWNKSA-N 387.520 3.730 0 40 GHAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)CCc3ccccc3)CC2)nn1C 257338952 YZOIDRDVSXLSGP-HZCBDIJESA-N 396.579 3.847 0 40 GHAB Cc1c(C(=O)N2CC3(C[C@H](Oc4ncccc4F)CCO3)C2)oc2ccccc12 575403926 IZRNJGOBFCYLLI-OAHLLOKOSA-N 396.418 3.728 0 40 GHAB O=C(NCCc1ccc(C2CCCCC2)cc1)NC1CCN([C@H]2CCOC2)CC1 661527259 PVGNVECWZUHKKM-QHCPKHFHSA-N 399.579 3.829 0 40 GHAB Cc1nc(C)c(CN2CCC[C@]3(CCC(=O)N3Cc3cncs3)CC2)s1 585100179 HEVDGTBDBRXEDL-IBGZPJMESA-N 390.578 3.764 0 40 GHAB CCOc1ccccc1NC(=O)c1cn(Cc2ccc(NC(=O)CC)cc2)cn1 49422122 QLITWOKTPNIHPZ-UHFFFAOYSA-N 392.459 3.931 0 40 GHAB O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)N[C@@]12CCC[C@H]1C2 664702128 OFDPWEDNRLVGIF-ORAYPTAESA-N 395.425 3.552 0 40 GHAB Cc1ccc2c(c1)C(=O)NCC1(CCC(N(C)Cc3csc(C)n3)CC1)O2 1615122681 QMRMVGBACMQEDO-UHFFFAOYSA-N 385.533 3.696 0 40 GHAB CCOC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccc(OC)cc1 2245665 BVJRIJADSJTWJP-UYRXBGFRSA-N 378.428 3.521 0 40 GHAB Cc1cccc(CCCNC(=O)c2ccccc2I)c1 13673219 BHRWIINHIBRIST-UHFFFAOYSA-N 379.241 3.962 0 40 GHAB CC[C@@H](C(=O)Nc1cc(Cl)ccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715430 SCZLCBAXKWQYRV-KRWDZBQOSA-N 398.887 3.971 0 40 GHAB Cc1nc2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc2n1-c1ccccc1 14265215 KDGCMWNJKBANDR-UHFFFAOYSA-N 383.411 3.756 0 40 GHAB Cc1nc([C@@H]2CCCCN2C(=O)CC(C)C)nc2c1CCC(=O)N2CC1CC1 19740497 FGIDKWQXAKUEIV-SFHVURJKSA-N 384.524 3.574 0 40 GHAB C[C@@H](NCC(C)(C)CN1CCCCC1)c1cc(O)n2nc(C(C)(C)C)cc2n1 100217948 AEFDKJPGIMESOH-MRXNPFEDSA-N 387.572 3.895 0 40 GHAB CC(C)CC(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1 19446485 VPOABPRPGQUKLD-IBGZPJMESA-N 382.479 3.656 0 40 GHAB CCc1ncnc(OCC2CCN(c3ncnc4cc(F)ccc34)CC2)c1F 1888914241 HFHJXNPBQWGTJM-UHFFFAOYSA-N 385.418 3.556 0 40 GHAB Cc1cnc(Nc2ccnc(C[C@H]3CCN(C(=O)C4CCCCC4)C3)n2)s1 2037835015 RBEJYKYZNPDUKD-OAHLLOKOSA-N 385.537 3.956 0 40 GHAB CCOc1cc2c(cc1OCC)[C@@H](c1cc(OC)c(OC)cc1OC)NCC2 2503742 IYHNXOPMUWAGOH-QFIPXVFZSA-N 387.476 3.745 0 40 GHAB COc1cccc(C(=O)Oc2coc(CSc3nc(C)cs3)cc2=O)c1 4518819 KJEJNSRIDOCMFD-UHFFFAOYSA-N 389.454 3.925 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4cccc(C)c4)no3)C2)cc1 4752957 MJICPPVUJSNWNO-SFHVURJKSA-N 397.500 3.922 0 40 GHAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1 5136781 OHTHJIWAHIJGSZ-UHFFFAOYSA-N 386.517 3.949 0 40 GHAB COc1ccccc1NC(=S)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 8568368 PLWJMBPELXINPO-IBGZPJMESA-N 382.464 3.902 0 40 GHAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(C)cc3C)[C@@H](C)Nc3ncnn32)cc1 11694798 WPDARXISPCFSHX-UIAACRFSSA-N 391.475 3.562 0 40 GHAB Cc1ccc(COc2cn(CC(=O)Nc3ccc(F)cc3F)c(C)cc2=O)cc1 12230621 LMMXNTMWSGGASQ-UHFFFAOYSA-N 398.409 3.961 0 40 GHAB CCn1cnc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2c1=O 15108378 COFGNHUPMRCZDY-UHFFFAOYSA-N 392.242 3.741 0 40 GHAB CCC(=O)N1CCCc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc21 15781313 UZJGYQRFGYZYCC-UHFFFAOYSA-N 376.412 3.735 0 40 GHAB CCc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(OC)cc4)no3)n2)cc1 16845603 HLRHMFHYNGXWCM-UHFFFAOYSA-N 388.427 3.580 0 40 GHAB COc1ccc(-c2cc(SCC(=O)N3CCc4ccccc43)ncn2)cc1 36709742 ZVPFPDPNIVHLAI-UHFFFAOYSA-N 377.469 3.834 0 40 GHAB Cc1nccc(O[C@@H]2CCN(C(=O)c3c(-c4ccccc4Cl)noc3C)C2)n1 575611135 AOKHHGJQDRMBTJ-CQSZACIVSA-N 398.850 3.695 0 40 GHAB O=C(Nc1ccccc1-n1cccn1)c1ccc(Cl)c(N2CCCC2=O)c1 40088392 OJTQIHRTPCHJFS-UHFFFAOYSA-N 380.835 3.905 0 40 GHAB CCCn1c(NC(=O)c2ccc3c(c2)CCN3C(=O)CC)nc2ccccc21 40143108 JOBUINNYFFBSSQ-UHFFFAOYSA-N 376.460 3.998 0 40 GHAB CC(C)Cn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cccnc1 20171532 GVXYGIDFWDSLHJ-WBVHZDCISA-N 387.553 3.783 0 40 GHAB Cc1cccc(NC(=S)N(CCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c1 884848 RHFJVFVYNFFWOP-UHFFFAOYSA-N 395.528 3.645 0 40 GHAB Cc1ccc(OCc2nnc(S[C@H]3CCc4ccccc4C3=O)n2C)cc1 933554 MGISCYPVPASPCC-SFHVURJKSA-N 379.485 3.992 0 40 GHAB CC[C@@H](CNC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1ccccc1 11403291 BTYDXXCUGLARTK-INIZCTEOSA-N 379.460 3.988 0 40 GHAB CCOC(=O)c1ccn(-c2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)n1 2498215 FVKOPVZOGRHCQO-UHFFFAOYSA-N 392.337 3.533 0 40 GHAB CCCCN(CC)C(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 7475407 WSOGMAGLKNTYOR-UHFFFAOYSA-N 387.480 3.913 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)s1)C1CC1 11586010 KCYHXIVMTCGHLP-OAHLLOKOSA-N 380.473 3.950 0 40 GHAB CCOC(=O)[C@H]1[C@@H]2NC(=S)N(c3ccc(C)cc3)[C@@]1(C)Oc1ccccc12 4193203 PSQLDKTWHXXTDB-OPYAIIAOSA-N 382.485 3.719 0 40 GHAB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)n2)cc1 6141462 BDAUDLCWYSQZEJ-ZDUSSCGKSA-N 396.472 3.802 0 40 GHAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)O[C@H](C)C(=O)c1ccc(C)cc1)(C3)C2 102399778 MYRKKIZSNCQSRB-QZNRILSNSA-N 383.488 3.585 0 40 GHAB C[C@H]1C[C@H](N(c2ccccc2)S(C)(=O)=O)c2ccccc2N1C(=O)C1CC1 10153279 XZEXBJLBJIOBCE-YWZLYKJASA-N 384.501 3.729 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1 8033533 QKBUQPLMSITHSP-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CCN(CC)C(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(C)cc1 10327016 BBPFUKAFKCFXGX-INIZCTEOSA-N 386.517 3.617 0 40 GHAB CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)N(C(C)C)C(C)C)CCCC2 21602461 COYFGFIEFJTNLN-ZDUSSCGKSA-N 394.537 3.776 0 40 GHAB O=C(COc1ccc(Br)cc1)OCC(=O)c1ccc(Cl)s1 32910264 QUMSEGJDUQPWHO-UHFFFAOYSA-N 389.654 3.969 0 40 GHAB O=C(c1cc(F)ccc1F)C1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 52872878 YTOQQICUWMSBEY-OAQYLSRUSA-N 398.453 3.879 0 40 GHAB Clc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1Cl 7540304 NMPOXLFHAQXJAE-UHFFFAOYSA-N 380.304 3.851 0 40 GHAB COc1ccc(-c2nn3c(O)cc([C@@H](C)Cn4nccc4C)nc3c2C)cc1 100775724 UQWSTZOKYOJNEX-ZDUSSCGKSA-N 377.448 3.728 0 40 GHAB O=S(=O)(c1ccc(NCc2nc(Cc3ccccc3)no2)cc1)C(F)(F)F 58179705 KRKIKEHUZJNPKF-UHFFFAOYSA-N 397.378 3.566 0 40 GHAB Cc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)c1C 876837 VPRMGWWXSZCVQE-AIUXHPFZSA-N 392.455 3.896 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CCN(CCc2ccccc2)CC1 22913381 OAHAPRZEMWLQJF-INIZCTEOSA-N 389.902 3.666 0 40 GHAB COc1cccc(Nc2n[nH]nc2C(=O)Nc2ccccc2Br)c1 23125560 KITADCNVFSYWRW-UHFFFAOYSA-N 388.225 3.572 0 40 GHAB CCn1c(SCc2nc(-c3cccc(C)c3)oc2C)nc2c(=O)[nH]cnc21 12413718 JDLXWYZXYPEFMD-UHFFFAOYSA-N 381.461 3.704 0 40 GHAB biogenic,in-vitro C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cn1cnc2ccccc2c1=O 24458026 DHNJGPAVMVZHEP-LBPRGKRZSA-N 390.270 3.923 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=S)SCc2nc(N)nc(Nc3ccccc3)n2)C1 1261920 UGTKQAOGUXSKKV-STQMWFEESA-N 388.566 3.693 0 40 GHAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1C[C@]2(C)C[C@@H]1CC(C)(C)C2 101165692 SSTRELGFKVZOAD-RCDICMHDSA-N 383.492 3.794 0 40 GHAB C[C@@H](c1nc(C2CC2)no1)S(=O)(=O)Cc1coc(-c2ccc(Cl)cc2)n1 55205614 IKTJLVTWPHHCPS-JTQLQIEISA-N 393.852 3.931 0 40 GHAB Cc1cc(OCC(N)=O)ccc1NC(=O)c1cc(Cl)ccc1OC(C)C 55319453 ABBWXXKXLOEMTA-UHFFFAOYSA-N 376.840 3.552 0 40 GHAB O=C(CSc1ccccn1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 12582225 HLVDLARQZZBZQY-UHFFFAOYSA-N 397.422 3.668 0 40 GHAB c1ccc(Cn2nc(CNCCOc3ccccn3)c(-c3ccccc3)n2)cc1 35287301 AAUVTMRQDRURQV-UHFFFAOYSA-N 385.471 3.557 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2ccccc2Br)c1C 58161162 CFQHJMFGTDALSB-UHFFFAOYSA-N 377.282 3.911 0 40 GHAB Cc1noc([C@@H](C)NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)n1 58421727 GLTZAOHIUMRXFG-AUUYWEPGSA-N 375.432 3.563 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)c(F)c1 12610029 WNWDVJMPOFMFMG-UHFFFAOYSA-N 379.435 3.780 0 40 GHAB COC[C@H](C)n1c(Sc2ncnc3sccc23)nc2ccccc2c1=O 3356065 MJVUFJNOTPBDMX-NSHDSACASA-N 384.486 3.760 0 40 GHAB CCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1ccncc1 3367551 OUCUVOZMQKBMGU-SFHVURJKSA-N 393.516 3.646 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2CC)cc1 409411924 NOUJDYFLCJZQPQ-UHFFFAOYSA-N 382.489 3.964 0 40 GHAB CC[C@H](Oc1ccccc1)C(=O)N(CC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 12894893 XQFSEVHOWIOQKK-SFHVURJKSA-N 399.878 3.783 0 40 GHAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OCO2 3402109 UCDBTICSZYXAOW-UHFFFAOYSA-N 375.380 3.878 0 40 GHAB CN(Cc1ccccc1)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12910258 ZEEAMODWUZQDKS-HXUWFJFHSA-N 380.488 3.643 0 40 GHAB c1ccc(-n2cc(CNCc3ccc4c(c3)OCO4)c(-c3cccnc3)n2)cc1 8429068 CNYMOJJAZJZCLA-UHFFFAOYSA-N 384.439 3.953 0 40 GHAB CC(C)NC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2 4089420 BBLJWMQJZBWWHZ-UHFFFAOYSA-N 399.487 3.679 0 40 GHAB biogenic CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c(OCC)c1 4189413 CURYJKHQQXVXAU-SFHVURJKSA-N 376.453 3.542 0 40 GHAB C[C@H](C(=O)NCc1ccccc1Cl)n1c(S)nnc1-c1cccs1 64334454 VCPSRUVEKHJJPJ-SNVBAGLBSA-N 378.910 3.826 0 40 GHAB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cc1Cl 6051728 WSYQNRPMAUCXMJ-SECBINFHSA-N 382.199 3.906 0 40 GHAB Cc1cc(C)n(CCCNC(=O)c2ccccc2OCc2c(C)noc2C)n1 8037354 JFVYHBYKPBTJTR-UHFFFAOYSA-N 382.464 3.504 0 40 GHAB Cn1c(SCc2nc3ccsc3c(=O)[nH]2)nnc1-c1ccccc1Cl 8133078 UIQFZFOMELDAKE-UHFFFAOYSA-N 389.893 3.726 0 40 GHAB COc1ccc([C@@H]2CCCCCN2CC(=O)N2CC(=O)Nc3ccccc32)cc1 8157005 BJIBWBXADJULFF-FQEVSTJZSA-N 393.487 3.598 0 40 GHAB O=C(CSc1ncccc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCO2 14163869 AFGCOHHVPSKERZ-HNNXBMFYSA-N 390.892 3.962 0 40 GHAB CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)nc1C 5473923 VPUVTVAWHVEMLQ-UHFFFAOYSA-N 389.260 3.953 0 40 GHAB CCc1ccc(C(=O)COC(=O)[C@@H](NC(=O)c2ccc(CC)cc2)C(C)C)cc1 4603785 HFGCWQHHJGPAGY-QFIPXVFZSA-N 395.499 3.992 0 40 GHAB Cc1ccc(-c2nonc2NC(=O)COc2c(F)c(F)c(F)c(F)c2F)cc1 6747708 SKWVCISOQPHPOD-UHFFFAOYSA-N 399.275 3.758 0 40 GHAB C[C@@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1cccc(Cl)c1 6850673 NXQLVSTYYAJCSI-GFCCVEGCSA-N 381.819 3.674 0 40 GHAB CN(CCOc1ccc(Cl)cc1)C(=O)CSc1nc2ccccc2[nH]1 7221183 HRCADBAONRBCCE-UHFFFAOYSA-N 375.881 3.846 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1 8988659 SXPVEKPEQVZOSP-ZHACJKMWSA-N 378.881 3.519 0 40 GHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113955309 GMIBSQZRFNPFJG-HXUWFJFHSA-N 387.911 3.888 0 40 GHAB Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2N)[C@@H](C)CCC4)cc1 19797058 TWMPGLMZAFZRTR-LBPRGKRZSA-N 399.541 3.895 0 40 GHAB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)[C@H]2CCCO2)cc1 9308179 LMJHXQDABIGFHT-HXUWFJFHSA-N 392.455 3.557 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O)Nc1cccc(Cl)c1 409172593 DHFGWPPNIXWAJP-OVCLIPMQSA-N 388.832 3.721 0 40 GHAB NC(=O)[C@@H]1CCN(C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)C1 84452348 OJAMAHQDUGPPPB-SSDOTTSWSA-N 376.787 3.521 0 40 GHAB COc1cc(NC(=O)CCc2nnc(-c3ccccc3)o2)c(OC)cc1Cl 23787970 ALIZXFBUONQIJG-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB CN(CCCC(=O)OC(C)(C)C)C(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 95442806 IENWPNORUMGCHB-INIZCTEOSA-N 398.544 3.604 0 40 GHAB Cc1nc(CNC(=O)OC(C)(C)C)ccc1C(=O)NC[C@H](C)Oc1ccccc1 95453385 AKICNWRIDNXUMA-HNNXBMFYSA-N 399.491 3.612 0 40 GHAB Cc1nc([C@@H]2CCCN(C(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)C2)n[nH]1 95966412 ASRPEZGXCBATBA-CQSZACIVSA-N 387.532 3.774 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3cccc(C(N)=O)n3)c3ccccc3n2)cc1 95960851 XAQKYCNIARIINV-UHFFFAOYSA-N 398.422 3.657 0 40 GHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 306132614 LNWROMASFRUGQM-CTNGQTDRSA-N 383.444 3.841 0 40 GHAB Cc1ccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 408623247 DXVPTXMGAWWJII-UHFFFAOYSA-N 378.453 3.809 0 40 GHAB Cc1cc(C(F)(F)F)nc(N2CCC(Cc3ccccc3C(=O)O)CC2)n1 516972793 JJTHXNHGBPROMC-UHFFFAOYSA-N 379.382 3.961 0 40 GHAB c1cc(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc(-n2cccn2)c1 518808965 CDBIZNXFVJNPJM-RTBURBONSA-N 379.464 3.834 0 40 GHAB CCCCC(C)(C)[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 38158974 YMRWVEHSLXJOCD-OKFJELOYSA-N 382.541 3.679 0 40 GHAB COc1ccc(-c2noc(CCC(=O)NC3CCCCCCC3)n2)cc1OC 32768094 RTWIZFLADNLPCZ-UHFFFAOYSA-N 387.480 3.916 0 40 GHAB S=C(c1cccc(Br)c1)N1CCN(Cc2ccccc2)CC1 33662418 ZDAYUXCSVADNFJ-UHFFFAOYSA-N 375.335 3.942 0 40 GHAB Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NCCc2ccccc2F)cc1 32907394 DYJKFAACSXYUPR-NRFANRHFSA-N 399.510 3.707 0 40 GHAB NC(=S)[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 218650307 KLHKVLKRGVHTAK-ZNMIVQPWSA-N 386.325 3.835 0 40 GHAB COc1ccc(-c2cn(CC(=O)NCc3cccc(Cl)c3)nc2N(C)C)cc1 62006999 ZFDMMNHUNRLMMI-UHFFFAOYSA-N 398.894 3.595 0 40 GHAB COC(=O)/C=C/c1ccc(OC(=O)c2cccc(Br)c2)c(OC)c1 40049962 OFZGROYVXQOVBR-VQHVLOKHSA-N 391.217 3.863 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(C)cc1 225412114 MNPIFZWKAQPSOZ-MRXNPFEDSA-N 388.508 3.531 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(OC)cc1C 223139711 UMIZPPZFARSGKH-OAHLLOKOSA-N 390.505 3.641 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 223470148 YKZZKWQSHYMILS-GOSISDBHSA-N 382.504 3.571 0 40 GHAB Cc1cccc(N(CC(=O)Nc2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1 223618332 HZYIQZJVNDEJLH-UHFFFAOYSA-N 394.496 3.652 0 40 GHAB COC1(c2nc(C3CCOCC3)no2)CCN(C[C@@H](C)c2ccccc2)CC1 583615880 IORWGCZXOKKLLA-QGZVFWFLSA-N 385.508 3.705 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl 242757548 DKLZXQPLKIFQJM-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB Cc1cc(C)nc(Nc2ccc([C@@H]3CN(Cc4ccccc4F)CCO3)nc2)n1 257342226 ZNQMDPLBHZGDHC-NRFANRHFSA-N 393.466 3.945 0 40 GHAB Cc1noc(C)c1-c1nc([C@H]2CCCN(Cc3ncccc3F)C2)ccc1CO 257297009 RFJNBBLPOACTDA-INIZCTEOSA-N 396.466 3.759 0 40 GHAB Cc1nc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc(-n2cccc2)n1 90607877 WHSUASVKVXDVHC-UHFFFAOYSA-N 396.882 3.583 0 40 GHAB O[C@@H](COCc1ccccc1Cl)CN1CC[C@H](Cc2ccc(F)cc2)C1 605902355 AXTIIJDSGACXBK-YLJYHZDGSA-N 377.887 3.921 0 40 GHAB Cn1cc(CCN2C[C@@H](c3cccc(C(F)(F)F)c3)OCC23CCCC3)nn1 625460568 PXSQGCKBFVZVKM-SFHVURJKSA-N 394.441 3.763 0 40 GHAB O=C(c1cnn(CCO)c1-c1ccccc1)N1Cc2ccccc2C2(CCC2)C1 1257778753 FIGIIRQOKHGJQA-UHFFFAOYSA-N 387.483 3.620 0 40 GHAB O=C(O)c1cnc(N2CCc3ccccc3C2)nc1COc1cccc(Cl)c1 585266016 ZCHSMUPHEYLRNJ-UHFFFAOYSA-N 395.846 3.970 0 40 GHAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(C)c(C)c1)CN2Cc1ccccc1 585262548 QNIBWPXUTIRQBV-WXFUMESZSA-N 392.543 3.766 0 40 GHAB Fc1ccc(OCCn2nc(Br)nc2Br)c(Cl)c1 93888017 AHZJGRWRRZRCNF-UHFFFAOYSA-N 399.445 3.675 0 40 GHAB CC(C)C[C@@H]1C[C@H](C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CC(=O)N1 95468816 ZJKZHLXSSAYGED-AZUAARDMSA-N 396.535 3.934 0 40 GHAB COc1ccc(NC(=O)CCCCCn2cnc3ccccc3c2=O)c(OC)c1 5246745 VNXWRFZWZBOVCR-UHFFFAOYSA-N 395.459 3.613 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3cnn(C(C)C)c3)C2)n1 12088650 QBKSDDUTYSCWNV-GOSISDBHSA-N 390.491 3.644 0 40 GHAB COc1ccccc1OCCNC(=O)c1ccc(-n2cnc3ccccc32)cc1 12552510 LQHBMAKTBVKKOK-UHFFFAOYSA-N 387.439 3.843 0 40 GHAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 13937755 PHBMMHGSOJJZNW-UHFFFAOYSA-N 375.519 3.588 0 40 GHAB COc1cc(C)ccc1OCC(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 19134242 HZVBUBGZSFGYOM-SFHVURJKSA-N 392.459 3.531 0 40 GHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)CC)C1 19498439 TYNXRANHACSUHD-QHCPKHFHSA-N 382.479 3.800 0 40 GHAB Cc1cccc(OC2CCN(C(=O)c3cn(C)c(=O)c4ccccc34)CC2)c1 19663824 YPCRMCGLDPXFQW-UHFFFAOYSA-N 376.456 3.531 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC(CC(=O)N[C@H](C)c3ccccc3)CC2)s1 19748629 TYZZFOVIHNSWCP-CQSZACIVSA-N 385.533 3.880 0 40 GHAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)o2)c1 19929253 NIHALGNAIDDZOE-UHFFFAOYSA-N 382.445 3.734 0 40 GHAB C[C@@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3N)o2)C[C@@H](C)O1 226301425 MKEOXHGZULUDFV-GHMZBOCLSA-N 379.254 3.541 0 40 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3.698 0 40 GHAB COc1ccccc1NC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1 1394949 VLUIBJJACAGRQP-UHFFFAOYSA-N 382.367 3.917 0 40 GHAB COc1ccc(CCNC(=O)N(C)Cc2c(F)cccc2Cl)cc1OC 24941626 CPWZKVYGZFISKT-UHFFFAOYSA-N 380.847 3.880 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)Cc1cccc(C(F)(F)F)c1 3241935 QQKNWFHTIXQWMQ-CYBMUJFWSA-N 377.362 3.769 0 40 GHAB CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 26891679 HKYCDNKMGMBTBB-UHFFFAOYSA-N 385.489 3.725 0 40 GHAB C[C@H](NC(=O)CNc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1Cl 25620351 ZDOLYBTVTLKLIU-HNNXBMFYSA-N 385.895 3.865 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3N=NN(c4cccc(C(F)(F)F)c4)[C@H]3C2=O)cc1F 23125724 YRJWCHUSEKAYJA-HUUCEWRRSA-N 392.312 3.651 0 40 GHAB Cc1c(C(=O)c2ccc(Cl)cc2)sc2nc(=O)c(-c3ccc(O)cc3)nn12 27526369 UURVKEANTTWPFC-UHFFFAOYSA-N 397.843 3.716 0 40 GHAB CSCC[C@@H](NC(=O)c1ccccc1C)C(=O)Nc1ccc(F)c(F)c1 3341833 FLWNXDDIYVTTDM-QGZVFWFLSA-N 378.444 3.763 0 40 GHAB O=C(CCc1ccc(F)c(F)c1)NCC[C@](O)(c1ccccc1)C(F)(F)F 58343341 GXOBNDCERCUIOY-SFHVURJKSA-N 387.348 3.854 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COc1cc2c(c(-c3cc(O)cc4c3[C@H](C)N(C)CC4)c1O)[C@H](C)N(C)CC2 3847257 VXOBJLYKDCJCGV-KBPBESRZSA-N 382.504 3.871 0 40 GHAB biogenic O=C(CCCn1cccc1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 524735548 ITBOAHRZABECMQ-UHFFFAOYSA-N 380.410 3.797 0 40 GHAB Cc1csc(NC(=O)c2nnn(-c3ccccc3Cl)c2-c2ccccn2)n1 77199899 MESVGVVFIMYSBH-UHFFFAOYSA-N 396.863 4.000 0 40 GHAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 30865775 ASFPHPMCECJQAC-OAHLLOKOSA-N 394.427 3.624 0 40 GHAB Cc1cccc(N2CCN(CCCCNC(=O)c3cc(F)cc(F)c3)CC2)c1 32068201 LJRDKBSTBRVKMQ-UHFFFAOYSA-N 387.474 3.605 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31488485 WJEDGMGEACVZDL-HNNXBMFYSA-N 392.908 3.688 0 40 GHAB Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4cnn(C)c4C)C3)n2)c1 72362624 JWBQEEMTRIBPHK-KRWDZBQOSA-N 391.475 3.639 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 72354874 UAOUEDCUVJTADM-OAHLLOKOSA-N 383.452 3.607 0 40 GHAB Cc1csc(CNC(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 563086018 MMSASVHJMLXQDL-HUUCEWRRSA-N 376.482 3.728 0 40 GHAB COCCN(Cc1cc(C)n(C)c1C)C(=O)c1ccc2nc(Cl)oc2c1 225985443 GKDGOTXHUPQAOR-UHFFFAOYSA-N 375.856 3.725 0 40 GHAB O=C(CCSc1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2)CC1 40159617 CBHLWAHABCCHKK-UHFFFAOYSA-N 388.920 3.807 0 40 GHAB C[C@H]1OC(c2cccnc2)=NN=C1SC(=O)c1ccc(Br)cc1 226820594 LYLUUBSROBDGCZ-SNVBAGLBSA-N 390.262 3.897 0 40 GHAB COC(=O)c1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 225249951 URJUCSBZTAWGQE-CQSZACIVSA-N 383.444 3.767 0 40 GHAB Cc1ccc(CN(CC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1 225347741 HBBBITJSWIHLFL-UHFFFAOYSA-N 388.533 3.827 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)Cn1[nH]c(-c2ccc(F)cc2)cc1=O 49006607 KIXRJLHUTJDASV-UHFFFAOYSA-N 389.814 3.592 0 40 GHAB CCc1ccc(OCC(=O)NCCOc2cccc(C)c2)c(Br)c1 224247576 HJIYUOZMXONSLK-UHFFFAOYSA-N 392.293 3.894 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 224123554 RSWDOEACGGTRJX-SFHVURJKSA-N 388.895 3.662 0 40 GHAB O=C(Cc1noc2ccccc12)N1CC(Oc2nc3c(Cl)cccc3s2)C1 77101019 JHTZMFKRGAKIFA-UHFFFAOYSA-N 399.859 3.923 0 40 GHAB CCCCNC(=O)CSc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 223396767 WAYVFFRADOKFQC-UHFFFAOYSA-N 392.546 3.520 0 40 GHAB Cn1cc(CN2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)cn1 96038197 UZYHXZUSGIQIRU-UHFFFAOYSA-N 390.466 3.649 0 40 GHAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 96227354 BAONUAJLONKQEZ-GHTZIAJQSA-N 398.894 3.638 0 40 GHAB COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 244185774 VLSFVVJTTOSXSL-NSHDSACASA-N 379.243 3.994 0 40 GHAB CN1[C@@H]2CN(C(=O)c3ccc(Cc4ccc(F)cc4)nc3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257256103 KKCAFPQJTMVWQZ-YCSHWKNNSA-N 393.506 3.899 0 40 GHAB Cc1cccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N[C@H]3Cc2ccccc2)n1 257273070 NFDFTNSMSZCLTA-QMDPOKHVSA-N 375.516 3.746 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2csc(C)c2)CC1 257323212 WJENJPNNEFVCNO-MBOZVWFJSA-N 385.533 3.865 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N2CCc3ccccc3C2)[C@@H]1c1ccc(OC)cc1 257339117 ZAGWSHMXTODETI-GGAORHGYSA-N 392.499 3.580 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@H](Cc2cc(-c3cccc(C(=O)O)c3)ncn2)C1 257330872 XQJDSWOVTJJVDT-OAHLLOKOSA-N 381.476 3.669 0 40 GHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)S1 260784319 VSUZGBJXGXKHDM-UIAACRFSSA-N 375.501 3.916 0 40 GHAB O=C(NCC1(c2ccc(Cl)cc2Cl)CCCC1)N[C@@H](CO)CCF 1225328143 YRXRFFQQCWICLT-CYBMUJFWSA-N 377.287 3.825 0 40 GHAB C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)C1 623208239 NNTZQYKUWRLJCO-QGPMSJSTSA-N 396.539 3.648 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)c1csc(NC(=O)c2cccs2)n1 685944092 JPYWZAPPBWWGQL-LBPRGKRZSA-N 385.470 3.711 0 40 GHAB CC[C@@H](Nc1ncnc2ccc(I)cc12)[C@H]1CCCOC1 1163983852 MGSFEQBOQHMDRL-SMDDNHRTSA-N 397.260 3.852 0 40 GHAB CC(C)CCn1nc(CNC(=O)N2CCO[C@](C)(C(F)F)C2)c2ccccc21 1616045091 YJHIOFFWRREBJF-FQEVSTJZSA-N 394.466 3.648 0 40 GHAB COc1cccc([C@H]2C[C@@H](C)CN2S(=O)(=O)c2c(F)cc(F)cc2F)c1 1663033726 KFPQMOONBMBLJK-PIGZYNQJSA-N 385.407 3.884 0 40 GHAB COc1ccc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1OC 1510988 BGUQNTUTIYKNQW-NTEUORMPSA-N 388.217 3.811 0 40 GHAB CC(C)(C)c1ccc(C(=O)Nc2nc3n(n2)[C@H](c2ccccc2)CC(=O)N3)cc1 5151545 HYQLDYPYAAUFMB-KRWDZBQOSA-N 389.459 3.760 0 40 GHAB Cc1c(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 5529466 CFNGLJYAAVMDCZ-QGZVFWFLSA-N 383.469 3.571 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc2c(c1)OCCO2 12581990 WBKVOWUVLGHLCM-KYJSFNMBSA-N 376.449 3.619 0 40 GHAB CNC(=O)c1cc2cc(N(Cc3ccc(C)cc3)S(C)(=O)=O)ccc2s1 13584084 CQSQGOLDHSZYCE-UHFFFAOYSA-N 388.514 3.536 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(C)cc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715170 LKMIUGKATIAGCB-SFHVURJKSA-N 378.469 3.626 0 40 GHAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C 15922109 UVHRTLNGXAOPEA-NRFANRHFSA-N 398.551 3.860 0 40 GHAB CCc1nccn1C[C@@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3cc2N)C1 19523537 TWWJUPLSOZVZBT-SJLPKXTDSA-N 391.519 3.618 0 40 GHAB CCN(C(=O)c1nnn(C(C)(C)C)n1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 668663600 KYPPHTROZKLBTO-KRWDZBQOSA-N 398.898 3.728 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4ccncc4)C3)cc2N1 19574626 GNURNVLGQVZIDR-IVMMDQJWSA-N 393.413 3.605 0 40 GHAB CC1CCN(c2ncc(-c3cncn3Cc3ccccc3CN(C)C)cn2)CC1 19719985 KCIIDRXQSZENJH-UHFFFAOYSA-N 390.535 3.686 0 40 GHAB CN(C)Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)o1 583615189 PVQUAZOAOZKDFS-ULQDDVLXSA-N 388.899 3.642 0 40 GHAB CC(=O)NCc1ccc(C(=O)[C@H](C)Sc2cc(C)nc(C(C)C)n2)s1 14019076 ZEKKNAMPZJYZKJ-LBPRGKRZSA-N 377.535 3.970 0 40 GHAB COc1cccc(O[C@H]2CCN(C(=O)c3oc4ccccc4c3C)CC[C@@H]2O)c1 2037888040 OPARQGMOHIWPAK-FPOVZHCZSA-N 395.455 3.794 0 40 GHAB COc1cccc(NC(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)c1 4164127 AJOBQJLVPYZDLS-UHFFFAOYSA-N 391.456 3.531 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2cccnc2)nn1 4392103 DIYQVGKPBWUHDQ-UHFFFAOYSA-N 386.864 3.931 0 40 GHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 5438515 OINMVYGYOXVJPX-UHFFFAOYSA-N 398.406 3.888 0 40 GHAB CCCN1C(=O)[C@@](Nc2ncccc2C)(C(F)(F)F)N=C1c1ccccc1 19939504 DTBXFWPXXSLROY-SFHVURJKSA-N 376.382 3.760 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2n2c(C)nnc12 49421769 GVCPYPJEFVIADL-UHFFFAOYSA-N 377.473 3.934 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)NCC[C@H](CCO)c3ccsc3)c2O1 575608455 UJFDRFNVYXWLJV-OAHLLOKOSA-N 389.517 3.513 0 40 GHAB CC(C)CC[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105947 AFQJXIHLHYXWJT-GFCCVEGCSA-N 380.337 3.849 0 40 GHAB O[C@@H](c1ccc(I)cc1Br)C(F)(F)F 1857793202 HBAJRIFTEKROOV-ZETCQYMHSA-N 380.929 3.649 0 40 GHAB CCN(C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 7630944 IVBSQFWINPQMBH-ZYHUDNBSSA-N 396.361 3.510 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1c(C)nn(-c3ccccc3)c1C)CC2 31238595 YAGKTXCZXRQBIC-UHFFFAOYSA-N 391.471 3.705 0 40 GHAB COC(=O)CSc1nnc(CNc2ccc(F)cc2)n1-c1ccc(C)cc1 870459 ZLQFHGOOQBGZAZ-UHFFFAOYSA-N 386.452 3.592 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)c1 904398 NPDJHCQZMADQOP-UHFFFAOYSA-N 398.488 3.539 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n2C)cc1 916545 YOKCKNBURDTRBL-HOTGVXAUSA-N 388.537 3.584 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)NCC(C)C)n1-c1ccccc1 3304191 HBYNZKKOGMBFJE-UHFFFAOYSA-N 396.516 3.807 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc(OCC(C)C)cc2)c1 4332698 GMNNSQUQXUWGFR-UHFFFAOYSA-N 399.443 3.612 0 40 GHAB CCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 6636608 BHBQRCTZEDKZLG-UHFFFAOYSA-N 380.897 3.606 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)n2)cc1 7777435 NYDHRSCTZOQLNZ-DNVCBOLYSA-N 387.530 3.765 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 7939741 ZNSMINTWQLRPKP-UHFFFAOYSA-N 381.215 3.747 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)N(C)c3ncccc3OC)s2)cc1OC 89562734 LMJKYJKWXYVLOZ-UHFFFAOYSA-N 399.472 3.816 0 40 GHAB CCc1n[nH]c(=S)n1NCc1cccc(OC)c1OCc1ccccc1F 8339392 QEVVLSUQUWJXGU-UHFFFAOYSA-N 388.468 3.973 0 40 GHAB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(C)cc2)cc1OCC 10543996 SFQJPWJVTHFUHA-MRXNPFEDSA-N 377.506 3.973 0 40 GHAB Cc1cc(C(=O)CSc2ncccn2)c(C)n1Cc1ccc2c(c1)OCO2 2639810 LXDANYUTEZJOOM-UHFFFAOYSA-N 381.457 3.647 0 40 GHAB Cc1cc(C(=O)COC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c(C)c(C)c1C 21732644 OIOZGVAGROSTES-UHFFFAOYSA-N 395.434 3.988 0 40 GHAB CCOc1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1 100749987 ZPZSEXJIEPZFSB-YYDVJCTNSA-N 381.520 3.645 0 40 GHAB Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 107432407 FCPLEFKLJFCYII-UHFFFAOYSA-N 380.513 3.968 0 40 GHAB CC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)c2ccc3c(c2)CCC3)CC1 7805456 USOBJEOXGKNFCO-UHFFFAOYSA-N 387.476 3.548 0 40 GHAB CSc1ccc(CN(C)[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 21923097 XLKXUHORGSSXMZ-IBGZPJMESA-N 397.588 3.573 0 40 GHAB COC(=O)c1cc2cc(NC(=O)Cc3ccc(OC)c(OC)c3)ccc2s1 20025352 DXGKOBZGLULPDD-UHFFFAOYSA-N 385.441 3.886 0 40 GHAB CC1CCN(C(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)CC1 3059380 FDGSGPXPOQQOJG-UHFFFAOYSA-N 399.541 3.798 0 40 GHAB Cn1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(Cl)cc2)cn1 61719756 DARIPYZAKXKBBI-LBPRGKRZSA-N 387.848 3.974 0 40 GHAB C[C@@H](NC(=O)CN1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 22931152 JMLCFZZJAOEPBN-LYGPYEHVSA-N 395.591 3.525 0 40 GHAB CCn1cc(Br)c(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)n1 28237435 XMRGVJHSSVXFCM-CYBMUJFWSA-N 387.281 3.947 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccco3)cc2)c1 12556930 MYFUZLUOKYFRSM-UHFFFAOYSA-N 398.484 3.969 0 40 GHAB COc1ccc([C@H]2CC(=O)[C@@H]3C=Nc4ccccc4N[C@H]3C2)c(OC)c1OC 100855756 DXUMWCIVUIPWJB-SIIHOXLZSA-N 380.444 3.972 0 40 GHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)Cc1coc2c(C)c(C)ccc12 55840538 WBQWHXSAFWSQOK-UHFFFAOYSA-N 380.444 3.941 0 40 GHAB O=C(OCc1cc(=O)oc2cc(Br)ccc12)c1ccc2cn[nH]c2c1 25788286 UFFVNZDJRUXEGB-UHFFFAOYSA-N 399.200 3.789 0 40 GHAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1 57355010 BJRFCGWYTDGIFA-KRWDZBQOSA-N 381.520 3.854 0 40 GHAB COc1ccc(CCN(C)CC(=O)N2CCC[C@H]2c2cccs2)cc1OC 16338772 PKMYMEMPWFQGNO-KRWDZBQOSA-N 388.533 3.603 0 40 GHAB O=C(Nc1ccccc1)C1CCN(C(=O)CN2CCC[C@@H]2c2ccccc2)CC1 10090867 FTLCCQJDVROQPH-JOCHJYFZSA-N 391.515 3.701 0 40 GHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1 3365863 GGRWUOQCOHPIJP-UHFFFAOYSA-N 380.853 3.772 0 40 GHAB COc1ccc(CCC(=O)Nc2cc3c(cc2Br)OCCO3)cc1 8487454 JFTBYZVJLSSTLE-UHFFFAOYSA-N 392.249 3.800 0 40 GHAB Cc1cccn2c(NC(=O)N3CCC4(CC3)OCCO4)c(-c3ccccc3)nc12 58316858 ZLPLJTXLFHNTDB-UHFFFAOYSA-N 392.459 3.681 0 40 GHAB COc1ccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)cc1 2246989 HROORAFTVMNOKT-UHFFFAOYSA-N 390.443 3.977 0 40 GHAB Cc1ccc(OCCNC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c(C)c1 12752496 SJAPIGYGNPZROF-UHFFFAOYSA-N 383.492 3.579 0 40 GHAB O=C(/C=C/c1ccccc1Cl)Nc1nc2n(n1)[C@H](c1ccccc1)CC(=O)N2 2329973 NSDLPPYSIVRUEK-OFAQMXQXSA-N 393.834 3.515 0 40 GHAB Cc1cnc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)cn1 12858587 WDRFACMHIIJXAH-UHFFFAOYSA-N 381.280 3.985 0 40 GHAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)NCc1cccs1 3408878 ALJKNSIOPYFLQP-UHFFFAOYSA-N 379.437 3.845 0 40 GHAB CC1CCN(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)CC1 3468442 QFNHKGMOXAZBHT-MRXNPFEDSA-N 380.488 3.775 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 12926317 VAIQUYNXLYBSKX-UHFFFAOYSA-N 379.231 3.830 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cccc(F)c1 3550274 WHLUVZLABJLUDO-UHFFFAOYSA-N 379.420 3.685 0 40 GHAB C[C@H]1C[C@@H](Sc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)C(=O)O1 8191039 MNUMFQDQPZNASF-SUMWQHHRSA-N 383.448 3.793 0 40 GHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nnc(-c2ccco2)o1 8243078 UXRHIQFAZRINPD-UHFFFAOYSA-N 394.353 3.598 0 40 GHAB O=c1cc(CNc2cc(Cl)ccc2OC[C@H]2CCCO2)nc2ccccn12 63470504 NAKGPQBYCWMYDJ-MRXNPFEDSA-N 385.851 3.518 0 40 GHAB Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)N2CCCCCC2)c1 5017999 ZBQRRJAFAAWOSK-UHFFFAOYSA-N 394.471 3.807 0 40 GHAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCC(F)(F)F 5172506 SVEUPCXQQXNZGB-OAHLLOKOSA-N 384.785 3.880 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Sc2nccn2-c2ccc(OC)cc2)cc1 5262938 DRFRIQOAPQEFQS-HNNXBMFYSA-N 397.500 3.687 0 40 GHAB Cc1cccc(-n2c(C)nnc2S[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 5310820 WYBCKHRLOAIBAA-CYBMUJFWSA-N 377.473 3.974 0 40 GHAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(C(C)=O)cc3)c(=O)oc2c1 5348798 GERYHEDJPIPAKA-UHFFFAOYSA-N 379.412 3.884 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)N2c3ccccc3C[C@@H]2C)c(OC)c1 14249621 VWEANBTXIRWGNR-HRAATJIYSA-N 380.488 3.819 0 40 GHAB Cc1ccc(NC(=O)NC(=O)CSc2nccn2Cc2ccccc2)c(C)c1 6589381 GXIAXQOYNUBEMQ-UHFFFAOYSA-N 394.500 3.989 0 40 GHAB CCOC(=O)C1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 6623789 MJTGTTNNLCMSNV-VWNCEIJUSA-N 389.536 3.576 0 40 GHAB biogenic CCOc1ccc(NC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)cc1 28238053 ZAGCVUWJYIJKBR-LLVKDONJSA-N 380.286 3.936 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)NC1CCCCC1 7478612 OBVKAIYFBCLNSU-CQSZACIVSA-N 389.883 3.828 0 40 GHAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2nncs2)C12CCCC2 71282322 FDTUQKHKOAZXLE-MRXNPFEDSA-N 384.505 3.685 0 40 GHAB O=C([C@@H]1CCCO1)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 96012484 OIZSMYALCXNHLL-RDJZCZTQSA-N 389.249 3.899 0 40 GHAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1ccc(Cl)cn1 9642366 LJWUKZHNNCVVSB-UHFFFAOYSA-N 395.029 3.886 0 40 GHAB CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)[C@@H]1CCOC1 84795627 NCJYLIWPDHMONX-CYBMUJFWSA-N 375.446 3.575 0 40 GHAB COc1ccc(CN2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)cc1 306126157 DONRQFITDPYLNX-DEOSSOPVSA-N 386.499 3.649 0 40 GHAB CCCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 408627606 MHIJVCCNGSOVFT-SNVBAGLBSA-N 381.567 3.611 0 40 GHAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCCCCOc1ccc(F)cc1 23133687 WHFLUNDBLGZREH-GOSISDBHSA-N 392.496 3.617 0 40 GHAB O=C(NCc1csc(-c2ccccc2)n1)c1ccn(COc2ccccc2)n1 28243849 NXSDYQFABQDLSG-UHFFFAOYSA-N 390.468 3.973 0 40 GHAB Cc1cccc2c(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)ccnc12 32609537 PZYANRKQTVEINL-UHFFFAOYSA-N 395.484 3.580 0 40 GHAB c1ccc(-n2ccnc2SCc2nc(-c3ccc4c(c3)OCO4)no2)cc1 33278081 NHJHBCUUCBDYRF-UHFFFAOYSA-N 378.413 3.943 0 40 GHAB COc1cc(/C=C2/SC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)O 35549292 AUGNVNKLZLTBNE-LICLKQGHSA-N 399.424 3.708 0 40 GHAB Cn1nc(C2CC2)nc1CN1CCOc2c(Cl)cc(Br)cc21 566163003 QPVFQAIINFNONA-UHFFFAOYSA-N 383.677 3.507 0 40 GHAB O=C(c1ccncc1)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 72378324 HSVDIHCALPTXCD-LJQANCHMSA-N 380.423 3.543 0 40 GHAB FC(F)(F)c1nnc2ccc(N3CC4(CCOCC4)[C@H]3c3ccccc3)nn12 562724648 HXIROFNAJMTIAW-MRXNPFEDSA-N 389.381 3.501 0 40 GHAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(OC)cc1OC 41077049 ZJLKZJJGZYDZJD-UHFFFAOYSA-N 395.459 3.989 0 40 GHAB Cc1nc(NC(=S)NC(C)(C)C)c(Br)cc1Br 223880659 ODNLXHIVWFGQNF-UHFFFAOYSA-N 381.137 4.000 0 40 GHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cc(OC)cc2C)c1 225353326 MPGLBSBOTQTUME-UHFFFAOYSA-N 377.462 3.598 0 40 GHAB COc1cccc(/C=C/C(=O)Nc2ccccc2NC(=O)NC(C)C)c1OC 40118639 RDLFYEWUSGILGX-OUKQBFOZSA-N 383.448 3.886 0 40 GHAB COc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1Br 224842814 FDTSJHNMUMFSAY-UHFFFAOYSA-N 398.322 3.757 0 40 GHAB CCc1ccc(S(=O)(=O)NCC[C@@H](O)c2cccc3ccccc23)s1 77117753 HMJQJXVQESSWTI-GOSISDBHSA-N 375.515 3.866 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3ccc(Br)cc3C2=O)C1 95097793 PTIOBJPMYQSBSA-AWEZNQCLSA-N 395.297 3.804 0 40 GHAB O=C(Oc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1cccs1 247440994 XHGZYNLGRJNQFF-UUBMZHIOSA-N 391.448 3.525 0 40 GHAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CN(Cc3cnn(C)c3)CCO2)n1 257274890 NNBZBFIZJQZPAN-JOCHJYFZSA-N 396.922 3.941 0 40 GHAB CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccno1 257255822 KIZXXTADNOKYRW-SLIDZQALSA-N 379.504 3.763 0 40 GHAB Cc1ccccc1OCCNc1ncc(C(=O)O)c(COc2ccc(F)cc2)n1 257234389 GTHULXMHCZZHGO-UHFFFAOYSA-N 397.406 3.692 0 40 GHAB O=C(NCCn1ccc2ccoc2c1=O)c1ccc2noc(-c3ccccc3)c2c1 253408281 XKKRVEKZGJYULZ-UHFFFAOYSA-N 399.406 3.833 0 40 GHAB CC(C)(C)N1CC[C@@H](NC(=O)NCc2nc(-c3ccccc3F)cs2)C1 661086795 HXFIWSMMTKEDTR-CYBMUJFWSA-N 376.501 3.621 0 40 GHAB CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCC[C@@H](c2ncc3n2CCCC3)C1 668105456 YYLAGDBVGWRJEK-NNMXDRDESA-N 397.567 3.783 0 40 GHAB COc1cc(NC(=O)N[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)cc(Cl)c1OC 667287934 VAOUPQZSWMOYMI-KBRIMQKVSA-N 376.815 3.956 0 40 GHAB O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)c1ccc(CN2CCCCC2)o1 1159610511 OYUYWRSWYSEOFY-UHFFFAOYSA-N 393.369 3.808 0 40 GHAB COc1ncccc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615159747 PHVCQPUIBIYEOM-BEFAXECRSA-N 383.467 3.749 0 40 GHAB C[C@@]1(C(=O)C2=NNC[C@@H]2c2ccc(Br)cc2)O[C@@H]1c1ccccc1 5478232 JYTSIWCJAPORSQ-LZQZEXGQSA-N 385.261 3.591 0 40 GHAB Cc1ccc2cc(CNc3ccc(N4CCC[C@H](O)C4)cc3)c(=O)[nH]c2c1C 12088305 ZCTGRQOTWYXZAO-NRFANRHFSA-N 377.488 3.718 0 40 GHAB CN(C)c1ccc(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)cc1 12113204 GCMHCTUJSUYCSJ-UHFFFAOYSA-N 387.443 3.803 0 40 GHAB COc1ccc(CN(Cc2cnc(C(C)C)nc2)C[C@@H]2CCCO2)c(OC)c1 12187248 JMXGJZVYYOMVHM-FQEVSTJZSA-N 385.508 3.798 0 40 GHAB O=S(=O)(Nc1ccccc1OC(F)F)c1ccc(Br)cc1 12521166 LUMREVFUFXOWAH-UHFFFAOYSA-N 378.194 3.851 0 40 GHAB CC(C)COc1ccc(-c2nc3c4c5c(sc4[nH]c(=O)n3n2)CCC5)cc1 13571407 OIEBSMAAJJECJC-UHFFFAOYSA-N 380.473 3.823 0 40 GHAB Fc1ccccc1-c1nnc2sc(-c3cncc(Br)c3)nn12 13684159 HLCVNADXYGFMKV-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB C[C@@H]1NC(=S)N(c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1=O 15570594 PUSUPYIFUULFEP-JTQLQIEISA-N 393.390 3.567 0 40 GHAB COc1ccc(-c2cc(C)nc(SC[C@@H](O)COc3ccccc3)n2)cc1 16283897 JDYHHDGFFSBCSG-KRWDZBQOSA-N 382.485 3.993 0 40 GHAB C[C@@H](C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)n1ccnc1 19077847 ASPIQIRFXKNLDW-IBGZPJMESA-N 389.499 3.619 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3ccc(Cl)nc3)C2)n1 19286839 CWAXFZGSZADGML-QGZVFWFLSA-N 393.878 3.915 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc(F)cc1 19291205 NKRXPUPHBHQCRW-LJQANCHMSA-N 394.381 3.873 0 40 GHAB O=C(Cc1ccsc1)N1C[C@@H]2CCCCN(CCc3ccc(F)cc3)[C@@H]2C1 19333650 ZXAQUSUBDCKRPV-PZJWPPBQSA-N 386.536 3.985 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1cnc(C(C)C)nc1)N[C@H](c1ccccn1)C2 19454172 XFBWBGSNHOTGFC-UGKGYDQZSA-N 390.487 3.989 0 40 GHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CC2)C1 19579641 RPFGKKNEKXMENH-JOCHJYFZSA-N 382.529 3.675 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 7246560 URBISFHRNCVXAE-JLHYYAGUSA-N 376.412 3.870 0 40 GHAB CC(C)n1nccc1NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1 4513580 XUERMPYWQFNMGJ-UHFFFAOYSA-N 393.443 3.839 0 40 GHAB Cc1[nH]c(C(=O)NCCc2ccccc2)c(C)c1C(=O)NCCc1ccccc1 6881236 WSAFHNOKONCFSV-UHFFFAOYSA-N 389.499 3.577 0 40 GHAB O=C1N(c2ccccc2)CCCC[C@]12CN(Cc1ccc(F)cc1F)CCO2 2037983783 FWFFAHXIKKTWAQ-QFIPXVFZSA-N 386.442 3.753 0 40 GHAB O=C1COc2ccc(S(=O)(=O)Nc3ccc4c(c3)oc3ccccc34)cc2N1 4148037 AETBIGUMOPWIQU-UHFFFAOYSA-N 394.408 3.718 0 40 GHAB Cc1nc2c(=O)n(CC(=O)Nc3cccc(F)c3)nc(-c3ccccc3)c2s1 8954987 FBULGYATRSFJOL-UHFFFAOYSA-N 394.431 3.606 0 40 GHAB Cc1ccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)C(C)C)cc1 10233928 GTIXJTFKBRMTEJ-FQEVSTJZSA-N 399.516 3.700 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1F 11612606 YOQORVWDQSXNOM-HNNXBMFYSA-N 394.443 3.537 0 40 GHAB COc1ccc(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)c(OC)c1 12414711 IZQJUVYRFVXRQJ-UHFFFAOYSA-N 392.459 3.502 0 40 GHAB COC(=O)c1ccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)[nH]2)o1 21353675 ABFOYSIUQUMDIY-UHFFFAOYSA-N 381.413 3.590 0 40 GHAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1ccccc1 22767459 RXBMQLYABNGZAC-NRFANRHFSA-N 398.553 3.826 0 40 GHAB CCCOc1ccc(CCC(=O)NC[C@H]2CCCN(c3nccs3)C2)cc1 206832398 RXWAKZFNKWGKST-GOSISDBHSA-N 387.549 3.897 0 40 GHAB C[C@@H](Oc1ccccc1F)C(=O)N1Cc2ccccc2[C@@H](c2cnn(C)c2)C1 575619649 OHVGRUNLVMSWJS-DNVCBOLYSA-N 379.435 3.501 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)cc1Br 72414428 RUYHFBNLHGYZNL-UHFFFAOYSA-N 393.306 3.517 0 40 GHAB Cn1ccnc1C(=O)c1ccc(NC(=O)CSCCc2ccccc2)cc1 40043336 VCVUQZTXWWSIEB-UHFFFAOYSA-N 379.485 3.566 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)c3cccc(NC(N)=O)c3)ccc2s1 40082892 ROELERPSMLSZGN-UHFFFAOYSA-N 383.429 3.821 0 40 GHAB Cc1ccc(NC(=O)C2CCN(Cn3c(=S)n(C)c4ccccc43)CC2)nc1 40155501 LSEBAOIGTPFQKZ-UHFFFAOYSA-N 395.532 3.721 0 40 GHAB O=C(O)[C@@H]1CCCN(C(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)C1 40288393 FVBBRCOPZGPXHO-LJQANCHMSA-N 392.455 3.544 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CN[C@@H](c1ccccc1)C(C)C)CC2 50509578 MVXPJNWEAIZOGE-HSZRJFAPSA-N 382.504 3.575 0 40 GHAB Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 721387 FRAGILFIEASRKI-UHFFFAOYSA-N 388.328 3.981 0 40 GHAB CNC(=O)Oc1cc2ccccc2cc1C(=O)Nc1cc(OC)ccc1OC 1739411 JSRSBOSSBLZEII-UHFFFAOYSA-N 380.400 3.828 0 40 GHAB Cc1ccc([C@@](O)(CCNC(=O)Cc2c[nH]c3ccccc23)C(F)(F)F)o1 31569733 WVRRLBFTPWNGPR-SFHVURJKSA-N 380.366 3.568 0 40 GHAB COC(=O)c1cc(OC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc(C(=O)OC)c1 3417993 QRGRPGRGCVJRTL-UHFFFAOYSA-N 381.384 3.577 0 40 GHAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(c2ccc(O)cc2)CC1 89518805 LKAKLEFFRXCYMB-CYBMUJFWSA-N 394.302 3.848 0 40 GHAB COc1ccc(Cc2nnc(S[C@@H]3CCc4ccccc4NC3=O)o2)cc1 20722224 UDKGDFHRUDYLDF-QGZVFWFLSA-N 381.457 3.715 0 40 GHAB O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc2c(c1)OCO2 7977614 XFHCEELUAGMRRT-UHFFFAOYSA-N 377.396 3.815 0 40 GHAB Cc1ccc(-n2cnnc2SCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1Cl 10249229 BEOAOKBHQYVOPX-STQMWFEESA-N 378.929 3.826 0 40 GHAB COc1ccc([C@H](NC(=O)NCCc2ccc(Cl)cc2)c2nccn2C)cc1 32802588 JOEDPNJFUINEMA-IBGZPJMESA-N 398.894 3.713 0 40 GHAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1-c1ccccc1 102808697 XFDWKOZRUAHOQS-RTBURBONSA-N 376.456 3.857 0 40 GHAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(N2CCCC2=O)cc1 2663744 DMBCISVJCBZBJS-UHFFFAOYSA-N 381.428 3.772 0 40 GHAB COc1cc(OC)c(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC 53356777 NSPNIQYWWUKSDW-MRXNPFEDSA-N 381.432 3.566 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 100750307 UECIXXDNSDRXRE-FVJLSDCUSA-N 383.467 3.634 0 40 GHAB CC(=O)Nc1ccc(O)c(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)c1 55287136 UVLDTQUXBFOXOS-UHFFFAOYSA-N 382.460 3.651 0 40 GHAB Cc1nn(C)c2sc(C(=O)OCc3cc(Cl)c4c(c3)OCCO4)cc12 26423911 HZWUHWWLTFFRFC-UHFFFAOYSA-N 378.837 3.725 0 40 GHAB COc1c(Br)cc(Br)cc1C(=O)Nc1nccs1 59312731 CBWMAZIISCJDSK-UHFFFAOYSA-N 392.072 3.929 0 40 GHAB CN(C)[C@@H](CNC(=O)C1(c2ccc(Br)cc2)CC1)c1ccsc1 25332081 BUEBKHWXWJOFCW-INIZCTEOSA-N 393.350 3.961 0 40 GHAB CN(c1ccc(OCc2ncc(-c3ccc(Cl)cc3)o2)cc1)S(C)(=O)=O 47362888 MMTYKGDRGSVPSB-UHFFFAOYSA-N 392.864 3.970 0 40 GHAB CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 43732544 VZDDYUWVNMROSI-LQNXUBFPSA-N 390.414 3.794 0 40 GHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@H]1CC1(Cl)Cl 23659847 JPJRMRWMTIXNJD-SNVBAGLBSA-N 383.197 3.674 0 40 GHAB COc1cc(OC)c(NC(=O)c2c3c(nc4onc(C)c24)CCC3)cc1Cl 35686447 CRIBXLUTLUMSHP-UHFFFAOYSA-N 387.823 3.943 0 40 GHAB Cc1cccc(OCCCNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 24240548 BRWFCEYKONENRI-UHFFFAOYSA-N 376.497 3.527 0 40 GHAB Cc1nnc2n1C[C@H](C(=O)N1CCCC[C@H]1c1nc3ccccc3s1)CC2 89740846 YFYKMUYBBMMLMA-ZBFHGGJFSA-N 381.505 3.512 0 40 GHAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ccccc2O)CC1 58167731 PXMAUVYQLMHODD-ZDUSSCGKSA-N 394.302 3.848 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2cccc(Cl)c2Cl)c1 24355967 XDWFLFWNILLSTL-UHFFFAOYSA-N 388.272 3.601 0 40 GHAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)CSc1cc(Cl)ccc1Cl 58156783 CQWNTVRKCBCDGW-AWEZNQCLSA-N 381.284 3.529 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(SC)c2)nc2ccsc2c1=O 27819808 QQWLXRFDBDMWHS-UHFFFAOYSA-N 391.543 3.931 0 40 GHAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O 36293910 YFSXCEZNEFYQAD-QGZVFWFLSA-N 381.881 3.785 0 40 GHAB O=C1CCc2cc(S(=O)(=O)Oc3cccc(Oc4ccccn4)c3)ccc2N1 12597811 ANZVQSHVOQWYPL-UHFFFAOYSA-N 396.424 3.526 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 12544878 ONCBWXNHNCJKCV-UHFFFAOYSA-N 386.429 3.731 0 40 GHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1csc(C)n1 10642899 JXPNOPINYWSBDU-CMDGGOBGSA-N 397.422 3.971 0 40 GHAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nc(C4CCCC4)n[nH]3)ccc21 12552544 MHUPVKCXUGDSRE-LBPRGKRZSA-N 384.505 3.735 0 40 GHAB O=C(c1cn2ccccc2n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 12603753 UIRKOSWVZMGMFE-CQSZACIVSA-N 378.457 3.770 0 40 GHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Cl)ccc1OC 3497996 HEEBTGRIOGPUHK-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)O[C@@H]3CCOC3=O)cc12 3470920 BKQPFEMGEGXRCT-CQSZACIVSA-N 390.848 3.580 0 40 GHAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc([C@H]3N[C@@H](C(=O)O)CS3)c2)n1 91695236 RHKKNMNUTJDXCR-ZBFHGGJFSA-N 397.422 3.622 0 40 GHAB CN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 13627152 VZDDYUWVNMROSI-NIJIEXERSA-N 390.414 3.794 0 40 GHAB C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1 6362156 MGDGEASATCBABI-MRXNPFEDSA-N 380.469 3.978 0 40 GHAB COc1cc(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc(Cl)c1OC(C)C 5489247 NGKQATDJJZMMDR-XJKSGUPXSA-N 397.899 3.988 0 40 GHAB COc1ccc(F)cc1NC(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C 92124302 SQPWMIOGSRPWDQ-MRXNPFEDSA-N 385.399 3.798 0 40 GHAB Cc1cc(C)n(-c2nc(N3CCCC3)c3c4c(sc3n2)COC(C)(C)C4)n1 5533783 ZEXHJEFTVBMZED-UHFFFAOYSA-N 383.521 3.945 0 40 GHAB C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccc2ccccc12 14602163 OYSNCLCQGAKQEO-YSSFQJQWSA-N 378.472 3.582 0 40 GHAB CCOC(=O)c1ccccc1NC(=S)N1CCN(c2ccc(F)cc2)CC1 4767830 OGSURDKXMJDNGT-UHFFFAOYSA-N 387.480 3.521 0 40 GHAB CN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3Cl)cc2C1=O 14785247 LTFVLYHMEOUQHW-UHFFFAOYSA-N 393.624 3.581 0 40 GHAB Cc1ccsc1CN(C(=O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 6810251 UNAMKLADIFFUCM-HNNXBMFYSA-N 383.922 3.539 0 40 GHAB CCOc1ccccc1-n1c(S[C@@H]2CCC(=O)C2)nnc1-c1cccnc1 8707333 SELBQMMDGQYENL-MRXNPFEDSA-N 380.473 3.942 0 40 GHAB CNc1nnc(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)s1 7102537 GNECMIMNMIESDP-LBPRGKRZSA-N 396.925 3.547 0 40 GHAB COc1ccc(OC)c2c1CN(C(=S)Nc1cccc(Cl)c1C)C[C@H]2O 7463784 YMQJTLXPOAXNEO-OAHLLOKOSA-N 392.908 3.912 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 7783464 FXUBMSSLQJLXNT-CQSZACIVSA-N 399.541 3.940 0 40 GHAB Cc1ccn2cc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)nc2n1 89700926 VZKYSJNNSJMERI-ZIAGYGMSSA-N 375.259 3.764 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)N2CCC(c3nc4ccccc4o3)CC2)cc1 7984636 FEUMBYQDBMNWBM-MRXNPFEDSA-N 393.487 3.721 0 40 GHAB COc1ccc(C)cc1NC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 8060956 KLHGWNDRPZEJRN-UHFFFAOYSA-N 383.835 3.764 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)nc2ccccc21 8132807 ZKTREACOVBMHBY-UHFFFAOYSA-N 394.500 3.679 0 40 GHAB COc1ccccc1CNc1nc(-c2c[nH]c(C(=O)N3CCCC3)c2)cs1 8127668 IBMYKKCZZLPLQI-UHFFFAOYSA-N 382.489 3.995 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl 9244966 LKKAZMJHKOJMJX-UHFFFAOYSA-N 381.741 3.707 0 40 GHAB O[C@@H](CN1CCN(Cc2csc(-c3ccccc3)n2)CC1)c1ccccc1 22809671 XXFDCYCGSPJFEI-NRFANRHFSA-N 379.529 3.661 0 40 GHAB O=c1c(C(F)(F)F)cc(C2CC2)nn1Cc1ncc(-c2ccc(F)cc2)o1 71817237 DXCPWZKYVSBCRV-UHFFFAOYSA-N 379.313 3.982 0 40 GHAB O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1 19833791 DLODEBNBNVYEOV-DHZHZOJOSA-N 390.405 3.943 0 40 GHAB COc1ccc(/C=C2/N=C(SCC(=O)O)N(c3cc(C)cc(C)c3)C2=O)cc1 96847276 YHTJFGDAOAINME-WOJGMQOQSA-N 396.468 3.874 0 40 GHAB CC(C)Cn1cc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O 72405793 KUJQNTWZJFAUCM-UHFFFAOYSA-N 389.499 3.620 0 40 GHAB CCC(=O)Nc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1 95350883 XWQLAXAUASMLAM-HXUWFJFHSA-N 381.457 3.603 0 40 GHAB CC1(C)C[C@@H](NC(=O)c2cc(-c3ccc(Br)s3)[nH]n2)CCO1 95473689 DFLBVUXAPXIYAZ-VIFPVBQESA-N 384.299 3.588 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1Cc1nnc(C(C)C)o1 95999826 APTSOTFYNYXWDL-GOSISDBHSA-N 381.480 3.569 0 40 GHAB COc1ccc(SC)c(OC)c1C(=O)Nc1ccccc1C(=O)NC(C)C 95997630 IQNBBGXLKVKFAO-UHFFFAOYSA-N 388.489 3.816 0 40 GHAB COc1ccc(N[C@H]2CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)c(OC)c1 95943611 PZVKXRSGPPQELZ-LSDHHAIUSA-N 380.444 3.723 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2ccccc2COc2ccccc2)CC1 22698699 DKTLVBIRVGTFHT-UHFFFAOYSA-N 382.460 3.616 0 40 GHAB O=C(CNCc1ccc2c(c1)OCO2)Nc1ccccc1N1CCCCCC1 35311422 KXFJFACKSHKRHS-UHFFFAOYSA-N 381.476 3.524 0 40 GHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O 409104726 FEYYAOINBNLPBM-MPMPPSQCSA-N 384.457 3.692 0 40 GHAB O=C(NCCCN1CCCCCC1)C1CCN(Cc2cccc(Cl)c2)CC1 39758029 XOBBTOCQACDTEF-UHFFFAOYSA-N 391.987 3.934 0 40 GHAB COc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1OC 32609724 FUWHFVQBQZJMSI-UHFFFAOYSA-N 383.423 3.957 0 40 GHAB Fc1ccc(OCc2nc(CN3CC[C@@H](Oc4cccnc4)C3)cs2)cc1 152428482 FTGMXNKZEFJXHW-LJQANCHMSA-N 385.464 3.910 0 40 GHAB O=C(NCc1ccc(F)cc1)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1 38487914 AIHLBCZOJWWRCQ-UHFFFAOYSA-N 391.381 3.538 0 40 GHAB CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)c1 72358586 MMRSSKIXSTZWMV-FQEVSTJZSA-N 387.487 3.877 0 40 GHAB CC(C)c1ccccc1NC(=O)CN1C(=O)C(c2ccc(F)cc2)=NC1(C)C 71769073 DXXZKKAEGLAFRF-UHFFFAOYSA-N 381.451 3.955 0 40 GHAB CC[C@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C)cc1 40097191 LSQDVBZLAYOTOR-SFHVURJKSA-N 375.494 3.518 0 40 GHAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)ccc2c1 222741155 FAJICWPCZZCLCB-AWEZNQCLSA-N 399.468 3.659 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 220136185 ZDXFTLOJAZQBEN-MRXNPFEDSA-N 390.505 3.575 0 40 GHAB O=S(=O)(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1Cl 44298262 NHIJXLBLLOPHLV-HNNXBMFYSA-N 386.876 3.578 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1cccc(C)c1)S(C)(=O)=O 220494689 YFVRSCBZAOSVSM-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB COc1ccc(OCCNC(=O)CSCc2c(F)cccc2Cl)cc1 223456481 ZADDVNVBFPAOAL-UHFFFAOYSA-N 383.872 3.916 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 225291789 VIKQHYJXEXIIIQ-QFIPXVFZSA-N 382.552 3.933 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C 224667500 GDNYEWAZYDFDKH-LJQANCHMSA-N 382.504 3.626 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(Cl)c2)cc1OC 224812852 BJMXQBMCIIIFTE-UHFFFAOYSA-N 376.261 3.836 0 40 GHAB O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1cc(-c2ccco2)on1 77101144 ZZGFQXSOEMPGCV-UHFFFAOYSA-N 392.337 3.593 0 40 GHAB Cc1cc(C(=O)N2CCc3nc(-c4cccc(F)c4)nc(N(C)C)c3C2)c(C)o1 96254089 CTZRYTIOXKBALS-UHFFFAOYSA-N 394.450 3.757 0 40 GHAB Cc1cc(C(=O)N2CC(Oc3nc4c(C(F)(F)F)cccc4s3)C2)on1 90594130 OBOYKXLTPOJYRV-UHFFFAOYSA-N 383.351 3.515 0 40 GHAB C[C@@H](NC(=O)N1CCC2(CC1)OCCc1ccccc12)c1ccc2n[nH]cc2c1 579199057 CUOSLOXJBXNWNI-MRXNPFEDSA-N 390.487 3.898 0 40 GHAB Cc1cc(C)c(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c(C)c1 243669248 PCZOXBLZDGIXOE-UHFFFAOYSA-N 398.887 3.809 0 40 GHAB CNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)CC(C)(C)C)ccc2c1N 257261507 LHQMLCFSWUKEJR-AWEZNQCLSA-N 388.537 3.728 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cn1 257277206 NWWLDAMOBOFFKD-QGZVFWFLSA-N 395.434 3.828 0 40 GHAB O=C(N[C@@H]1CCCN(Cc2cc3n(n2)CCCC3)C1)c1ccc2ccccc2c1 649563134 CNEXFBJOLPJFRY-OAQYLSRUSA-N 388.515 3.767 0 40 GHAB COc1ccccc1C1(C(=O)NC[C@H](c2ccco2)n2nc(C)cc2C)CC1 585368181 RYPLTCQPZDNAGK-GOSISDBHSA-N 379.460 3.539 0 40 GHAB CC(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccco1)C2 585106619 CXXJZAOOJROWCL-JOCHJYFZSA-N 376.460 3.683 0 40 GHAB CC1(C)C[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)CC[C@@H]2N1c1cccc(F)c1 1615159480 VGMNQSUKVVDAEK-KDOFPFPSSA-N 390.890 3.582 0 40 GHAB Cc1cc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cc(C)c1O 1615130106 OUOWGJNNEGMDAE-QHCPKHFHSA-N 398.478 3.546 0 40 GHAB Cc1c(CCC(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)cnn1C 1615154781 HCFRQHQIUNWTBS-NQIIRXRSSA-N 398.526 3.706 0 40 GHAB CCOC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(OC)c(Cl)c2)C1=O 1146458 HDYYXLLCCQAKBO-WDZFZDKYSA-N 390.244 3.601 0 40 GHAB COc1cccc(NC(=O)Nc2cc(C)cn(Cc3ccccc3F)c2=O)c1 5000854 MUAQDNOADIJKFK-UHFFFAOYSA-N 381.407 3.997 0 40 GHAB Cc1oc(C2CC2)cc1C(=O)N1CC=C(n2c(C)nc(=O)c3ccccc32)CC1 12143912 JMIMQAKGZAZGNG-UHFFFAOYSA-N 389.455 3.871 0 40 GHAB COc1ccc(C(=O)Nc2c(-c3ccccn3)c(=O)c3ccccc3n2C)cc1 12416246 HCFNEJPTRWROGF-UHFFFAOYSA-N 385.423 3.861 0 40 GHAB O=C(Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1)C1CC1 12889394 RMJHDWBAVFMOLN-HNNXBMFYSA-N 397.500 3.588 0 40 GHAB Cc1ccc(-c2nnc([C@H]3CCN(C(=O)c4cc5c(C)cccc5[nH]4)C3)o2)cn1 19236658 LPHFBQQSFIGJMT-INIZCTEOSA-N 387.443 3.859 0 40 GHAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)CO2 19562363 AVZYMMMTVQSLOO-JXFKEZNVSA-N 397.471 3.627 0 40 GHAB COc1cccc(-c2cc(C(=O)Nc3nc(-c4cnn(C)c4C)cs3)on2)c1 19666743 FCENSZNKVBXQHD-UHFFFAOYSA-N 395.444 3.768 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2c[nH]c3nc(C)ccc3c2=O)cc1 19715085 KJHULUOYZWJXQU-IBGZPJMESA-N 377.444 3.608 0 40 GHAB NC(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(OCc3ccccc3)cc12 504237601 FOBMGUSXZUSCEO-UHFFFAOYSA-N 384.435 3.937 0 40 GHAB in-vitro FC(F)(F)c1ccc(N2C[C@@H]3CCN(c4cnc5ccccc5n4)[C@@H]3C2)nc1 1889205678 HTARWQONNPXTKO-SUMWQHHRSA-N 385.393 3.759 0 40 GHAB COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1NS(C)(=O)=O 29967801 HYYPJBMKAZDPSW-UHFFFAOYSA-N 389.260 3.626 0 40 GHAB COc1cccc2c(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)ccc12 2712182 MLQWSKCZSWWHFG-UHFFFAOYSA-N 376.334 3.668 0 40 GHAB O=C(Nc1ccc2c(c1)oc1ccc(S(=O)(=O)N3CCCC3)cc12)C1CC1 3627951 SCRKKJBFXCYGIJ-UHFFFAOYSA-N 384.457 3.719 0 40 GHAB aggregator CCOc1ccc(-n2ccnc(SCC(=O)Nc3ccc(F)cc3)c2=O)cc1 4853241 ICKVEGADFAUZCR-UHFFFAOYSA-N 399.447 3.501 0 40 GHAB O=S(=O)(NCC[C@@H](CCO)c1ccccc1)c1ccc(C(F)(F)F)cc1 206627723 WEDDWVRFUSKOOB-HNNXBMFYSA-N 387.423 3.540 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)c(F)c1 11007055 CVXXOQMYIVNOLL-UHFFFAOYSA-N 392.377 3.592 0 40 GHAB C[C@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)NCc2cccc(Cl)c2)N=C1O 36593930 NBVMJOPWTOJCLR-RDTXWAMCSA-N 399.878 3.622 0 40 GHAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1cnc(-c2ccccc2F)s1 67842035 BLSFDXSFGSNNDL-OAHLLOKOSA-N 378.375 3.691 0 40 GHAB CCn1ncc2c(C(=O)Nc3ccc(C(N)=O)cc3)cc(-c3cccs3)nc21 11328081 RYBVGIPGMIZJCD-UHFFFAOYSA-N 391.456 3.531 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)c3cccc4cccc2c34)c1C 28914513 WZVHPWUCVFCMTD-UHFFFAOYSA-N 376.412 3.805 0 40 GHAB O=C1CS(=O)(=O)[C@H](c2ccc(Oc3ccccc3)cc2)N1c1ccccc1 1088751 LMMBPQKVWKAIGA-OAQYLSRUSA-N 379.437 3.939 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)C(C)C)s2)cc1Cl 1371469 CIFQTHCUOIKJNT-UHFFFAOYSA-N 384.914 3.825 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)c1 1379728 UHQHZHMQUKEOFU-SFHVURJKSA-N 383.448 3.647 0 40 GHAB Cc1cc(NC(=O)CCSc2nnc(-c3ccc(OC(F)F)cc3)o2)no1 11749005 ULHJQIUWIMEVEO-UHFFFAOYSA-N 396.375 3.755 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)N2CCCCC2)n1Cc1ccccc1 4860245 YSCPDQBQLFFQIL-UHFFFAOYSA-N 396.516 3.999 0 40 GHAB COc1ccc(CNC(=O)Cc2csc(-c3ccccc3F)n2)cc1OC 11865434 ZQWGGXJUEOWPES-UHFFFAOYSA-N 386.448 3.825 0 40 GHAB CC(C)(C)OC(=O)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=S)N2 6817193 ZBNJREBVGLYONR-UHFFFAOYSA-N 379.913 3.787 0 40 GHAB Cc1ccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1C 6876342 FZVXRGJYKUGQPI-UHFFFAOYSA-N 380.400 3.842 0 40 GHAB COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccc(F)cc2)CC(O)=N3)cc1 20745434 LWCDKGUZNLMUEN-KRWDZBQOSA-N 380.379 3.869 0 40 GHAB O=C(Nc1cccc2ccccc12)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 60358445 LSWNJZXJUZAQNY-UHFFFAOYSA-N 399.454 3.706 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nc2ccccc2c1=O 20861556 HXGHBMHIZYBPKI-UHFFFAOYSA-N 393.390 3.683 0 40 GHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1cccc(C)c1 7671548 OMISFIKBWAEKKE-UHFFFAOYSA-N 399.878 3.703 0 40 GHAB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cc(C)cc(C)c2)CC1 10010361 PDXBRSNFCMKENW-UHFFFAOYSA-N 385.895 3.878 0 40 GHAB Cc1ccc(C(=O)NCc2ccccc2)cc1NS(=O)(=O)c1ccccc1 10333920 DEFOOLHLSHELSD-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB CCCc1ccc([C@@H](NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c2cccs2)cc1 32745051 PPJUGAWQKRUPIA-LAUBAEHRSA-N 382.529 3.917 0 40 GHAB C[C@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)NCCC1=CCCCC1 21498935 LANWXTLVTDZCQA-ZDUSSCGKSA-N 393.867 3.663 0 40 GHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc21 8959501 SMZIVNUTOZEJTE-UHFFFAOYSA-N 398.459 3.728 0 40 GHAB COC(=O)N(C)CC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 32915800 WYXSCTBVJMJDAR-UHFFFAOYSA-N 388.276 3.677 0 40 GHAB COc1ccc(C)cc1CC(=O)N(C)Cc1cc(Br)ccc1OC 21913160 JLKMMWBBAFCTMF-UHFFFAOYSA-N 392.293 3.976 0 40 GHAB CC(C)c1ccc(CN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C2CC2)cc1 103125577 SJJPMCYZUJZWOT-NHCUHLMSSA-N 396.531 3.866 0 40 GHAB Cc1nc(-c2cccc(NC(=O)Cc3csc(N4CCCC4=O)n3)c2)oc1C 54113457 NWZVILYTRLTFMT-UHFFFAOYSA-N 396.472 3.723 0 40 GHAB FC(F)(F)c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 23174812 FFYOXTNNQWJPFI-UHFFFAOYSA-N 399.800 3.805 0 40 GHAB COc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 937635 AFBHQBUSLHASCO-UHFFFAOYSA-N 388.489 3.559 0 40 GHAB CCN1C(=O)c2cccc3c(S(=O)(=O)N[C@H](C)c4ccccc4)ccc1c23 956883 GAZHQNYCZYIGLG-CQSZACIVSA-N 380.469 3.859 0 40 GHAB C[C@H](NC(=O)COC(=O)c1ccc(-n2cccc2)cc1)c1ccc(F)cc1F 23328871 RCOJGKZOWSIHGG-AWEZNQCLSA-N 384.382 3.790 0 40 GHAB O=C(c1cccc2cccnc12)N1CCN(Cc2nc3ccccc3s2)CC1 23936766 DALJHGLYUPFVQU-UHFFFAOYSA-N 388.496 3.803 0 40 GHAB C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 24983392 AWGZQZKTUMYCSD-MRVPVSSYSA-N 398.772 3.968 0 40 GHAB COc1c2c(cc3c1[C@@H](CC(=O)c1cc4ccccc4o1)N(C)CC3)OCO2 20112994 DFXCHVQKSWZORX-OAHLLOKOSA-N 379.412 3.972 0 40 GHAB biogenic O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 25767924 AYGFOWFKPQNPHR-AWEZNQCLSA-N 377.469 3.777 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc2cccnc12 25819526 UMIGYHKVMZXVSK-UHFFFAOYSA-N 395.528 3.828 0 40 GHAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1cccc2ncccc12 10075407 YKMGWRPUUNAXFF-UHFFFAOYSA-N 376.746 3.962 0 40 GHAB CC1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3Cl)CC2)CC1 58192478 IKBYTJQNLSKREJ-UHFFFAOYSA-N 376.928 3.770 0 40 GHAB COc1ccc2c(c1)[nH]c1c(N(C)CCc3ccc(OC)c(OC)c3)ncnc12 2155383 MHHXDGRKJZXTCB-UHFFFAOYSA-N 392.459 3.816 0 40 GHAB COCCN1C(=O)/C(=C/c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 2141998 KELLSZLJJLWZMZ-GWPSIESESA-N 393.468 3.839 0 40 GHAB CC(=O)c1ccc(O[C@H](C)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 10444578 FTYNMOZHFHWWRO-QGZVFWFLSA-N 394.471 3.534 0 40 GHAB CC(C)Cc1nc2oc3c(NCCN(C)C)ncnc3c2c2c1COC(C)(C)C2 2213486 ZIXOXSRGSCCPFF-UHFFFAOYSA-N 397.523 3.794 0 40 GHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 22511434 SWWSTBUJKCDVBT-SJLPKXTDSA-N 396.487 3.564 0 40 GHAB CCOc1ccc(-n2nnnc2SCC(=O)c2c(C)cc(C)cc2C)cc1 2323739 JRQLVDBSXLYEDF-UHFFFAOYSA-N 382.489 3.961 0 40 GHAB CCCSc1nc2cc(C(=O)OC)ccc2c(=O)n1CCc1ccccc1 3454869 JLCWTXXZVHSYFI-UHFFFAOYSA-N 382.485 3.928 0 40 GHAB CCC[C@@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)c1ccccc1 12993695 KAACKNBHRPOLPP-HNAYVOBHSA-N 386.517 3.668 0 40 GHAB COc1ccccc1CCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F 12984531 RPMREEJHTKRRSM-UHFFFAOYSA-N 394.393 3.744 0 40 GHAB CCC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 3580169 MPYXMEHVTQYDDL-OAHLLOKOSA-N 381.501 3.783 0 40 GHAB COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1c(F)cccc1F 16495102 MPSWMBFQPWNYKV-INIZCTEOSA-N 378.400 3.740 0 40 GHAB COc1ccc2cc(CN(C)C(=O)COC(=O)c3c(F)cccc3F)ccc2c1 8070782 UCPJANMWPWLBIG-UHFFFAOYSA-N 399.393 3.942 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(F)c(F)c3)CC2=O)cc1 8076339 MRPFYJJJXCQAHB-DZGCQCFKSA-N 388.414 3.594 0 40 GHAB Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 8163281 NYGWGMYENZRGSR-MSOLQXFVSA-N 396.487 3.618 0 40 GHAB CCCCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 16740580 WYEUCTBMYDMJKB-UHFFFAOYSA-N 397.475 3.792 0 40 GHAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 16779285 PGUDPWXKMSDAIU-KRWDZBQOSA-N 382.485 3.547 0 40 GHAB COC(=O)[C@H](C)Oc1ccc2oc(=O)c(-c3ccc(OC)c(OC)c3)c(C)c2c1 4340660 SYIRRFGACTWCAJ-ZDUSSCGKSA-N 398.411 3.726 0 40 GHAB biogenic C[C@H](CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1 8315031 PSSQAKYNLUYTGK-OAHLLOKOSA-N 377.440 3.580 0 40 GHAB O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCN1C(=O)c1cccs1 14068791 HZKZCKQORMILLV-CQSZACIVSA-N 383.300 3.976 0 40 GHAB CCCN(Cc1nnc(-c2cccs2)o1)S(=O)(=O)Cc1ccccc1 14076171 LLLKKDZEMFHTOS-UHFFFAOYSA-N 377.491 3.540 0 40 GHAB CSc1nnc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)s1 65522737 WBKCHCUKTAMEGK-WCQYABFASA-N 376.334 3.657 0 40 GHAB Cc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1 8570169 MXUWHUZMEMZUPN-LJQANCHMSA-N 381.863 3.594 0 40 GHAB O=C1N/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1ccccc1F 409090553 RDOOJYZCOWYOKR-VGOFMYFVSA-N 381.190 3.931 0 40 GHAB COc1ccc(C2=NN=C3SC[C@@H](c4ccc(Cl)cc4)N=C3C2=O)cc1 27546482 WESJBBWRFLSXRR-HNNXBMFYSA-N 383.860 3.963 0 40 GHAB CCOC(=O)c1oc2ccccc2c1CN(C)C[C@@H]1COc2ccccc2O1 14246373 RVSICNGPRUMONK-OAHLLOKOSA-N 381.428 3.881 0 40 GHAB Cc1ccc(S[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 14244185 XOMJEAUMVGIPPS-NSHDSACASA-N 382.407 3.648 0 40 GHAB CCOc1ccc2nc(SCC(=O)N3CCC(c4ccccc4)=N3)[nH]c2c1 5691586 QNTBIHLQJHCNEC-UHFFFAOYSA-N 380.473 3.690 0 40 GHAB COc1ccc(C)cc1NC(=O)CCNC(=O)c1ccc(Br)cc1 5701332 AORYIYJKVUSPCF-UHFFFAOYSA-N 391.265 3.525 0 40 GHAB CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NC2CCCCCC2)c2ccccn12 306127604 GDHPVXRRGSZVEF-GOSISDBHSA-N 397.523 3.605 0 40 GHAB CN1CCN(C(=O)COc2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 15584061 ZKTVKHODXSTKPI-QGZVFWFLSA-N 379.287 3.888 0 40 GHAB CN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1Oc1ccccc1 60351180 UYYITPDBGKQBCW-CQSZACIVSA-N 392.377 3.853 0 40 GHAB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1cccc(Cl)c1 408918625 MVZYEMLRBSMFOG-OVCLIPMQSA-N 389.816 3.892 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)NC[C@H]2OCCc3ccccc32)cc1Cl 8990269 OOPOROKAEJIFKJ-LJQANCHMSA-N 386.879 3.797 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)s1 9377579 KUXQQUQYIJHNFN-UHFFFAOYSA-N 397.500 3.526 0 40 GHAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1nnc(-c3ccco3)o1)C2=O 9885032 PGLQQVYWFBPIOY-UHFFFAOYSA-N 386.452 3.747 0 40 GHAB CCO[C@@H](C)c1noc(CN2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)n1 95399070 KCBFZVLVASPCOE-AWEZNQCLSA-N 382.464 3.946 0 40 GHAB O=C(Nc1cccc2[nH]ccc12)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 95423240 OXRRAOZXGZJUPW-IBGZPJMESA-N 390.468 3.803 0 40 GHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)C2=CCC2)cc1 95455803 ZTGXVKOGNQLIFK-OAQYLSRUSA-N 390.439 3.636 0 40 GHAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 23296644 XFJSWEFRHRUXFA-BEFAXECRSA-N 396.516 3.566 0 40 GHAB Cc1nc(NCCc2nnc3n2CCC3)c2c(-c3ccccc3)csc2n1 95947066 AHDUTOYOYMALGH-UHFFFAOYSA-N 376.489 3.859 0 40 GHAB Cc1ccn2c(=O)cc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)nc2c1 28869314 XFCAFWZZCGMMTO-UHFFFAOYSA-N 383.864 3.734 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 408561083 GKZNQJKTDJWMJU-HNNXBMFYSA-N 375.494 3.600 0 40 GHAB O=C(NCC12CC(CO1)C2)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 527916030 WOGJXTKJEKEDGZ-IUNXBHMESA-N 398.425 3.651 0 40 GHAB CCCOc1c(Cl)cc(C(=O)NCc2ccnc(OC)c2)cc1OCC 32905184 AEOSEDJLYNRDCE-UHFFFAOYSA-N 378.856 3.861 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc(-n3cc(Cl)cn3)nc2)cc1OC 72401354 GBBFSHXIUGMRIB-UHFFFAOYSA-N 386.839 3.509 0 40 GHAB O=C(c1cccnc1)N1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1 72362087 UMOBMLSJGHELJX-INIZCTEOSA-N 378.407 3.823 0 40 GHAB Cc1nn(C)cc1[C@@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCCC1 79485246 DCJFBYASZCNDHK-INIZCTEOSA-N 375.498 3.950 0 40 GHAB NC(=S)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218650444 KLHKVLKRGVHTAK-KFWWJZLASA-N 386.325 3.835 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)c1 32610101 TTYAUQYUOCUNIF-UHFFFAOYSA-N 383.423 3.957 0 40 GHAB CCNc1nc(C(N)=O)c(NC(=O)c2sc3ccccc3c2Cl)s1 36614985 VLQMGPVKXHJOQO-UHFFFAOYSA-N 380.882 3.794 0 40 GHAB O=C(/C=C/c1ccccc1F)OCc1cc(=O)n2c(n1)sc1ccccc12 32738716 PJEKGGUJLJKUJJ-MDZDMXLPSA-N 380.400 3.805 0 40 GHAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)c2cc(C3CC3)on2)CC1 72335516 DLZOIWDWGKTPGX-UHFFFAOYSA-N 381.457 3.897 0 40 GHAB O=C(CN1CCC(c2cccc(Cc3ccccc3)n2)CC1)N1CCCCC1 72348703 UBVVHKREYBLSMJ-UHFFFAOYSA-N 377.532 3.864 0 40 GHAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(OC)c(O)c2)c(OC)c1 40287085 UECMVGYWRXGXMC-CQSZACIVSA-N 395.415 3.727 0 40 GHAB COc1cccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)CN2CCCCCC2)c1 72380346 XKIQKYHNCBNGDQ-HXUWFJFHSA-N 382.508 3.625 0 40 GHAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225712613 CLLCLXPGGFQJCR-AWEZNQCLSA-N 390.530 3.992 0 40 GHAB CO[C@@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(Cl)s1 225706025 WTBQCRGMQNNZSH-NSHDSACASA-N 384.281 3.860 0 40 GHAB O=C1C[C@]2(CCN(C(=O)Nc3c(Cl)ccc4c3CCO4)C2)Oc2ccccc21 575155914 OBEROOARMUZUOQ-NRFANRHFSA-N 398.846 3.917 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCc1ccc(OC(C)C)cc1)CCCC2 225626154 KYJDGUKIZGPRHR-UHFFFAOYSA-N 389.517 3.840 0 40 GHAB Cc1ccccc1OCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C 224484006 VRLGRPBNNWSLHB-FQEVSTJZSA-N 396.531 3.606 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1 223084504 MQNXHTJGYWBBHT-IAGOWNOFSA-N 386.467 3.537 0 40 GHAB CCCCc1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 225947561 SQQVCXYEZCZKBG-IBGZPJMESA-N 392.496 3.787 0 40 GHAB O=C(C[C@H]1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21)N1CCCC1 96242120 ATKFXYYECMWISP-IBGZPJMESA-N 395.547 3.736 0 40 GHAB Cn1cc(CNC[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)c2ccccc21 96296388 OUGLEXVACTYXHU-IBGZPJMESA-N 390.462 3.870 0 40 GHAB biogenic,in-vitro CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccc(F)c3)CC2)Oc2ccccc21 96243007 YPOFYJIYJCUELP-QGZVFWFLSA-N 396.462 3.503 0 40 GHAB COc1cc(CNc2ccc(C(N)=O)c(N3CCCCC3)c2)c2c(c1)C[C@@H](C)O2 585080697 KRIZFHFSWYIMCH-OAHLLOKOSA-N 395.503 3.720 0 40 GHAB CCN(c1ccccc1)[C@@H]1COC2(CCN(C(=O)c3ccnn3C(C)C)CC2)C1 257243877 IIYPDFMBDCHXHY-FQEVSTJZSA-N 396.535 3.754 0 40 GHAB CC(=O)Nc1cc(CCC2CCN(C(=O)CCc3ccc(F)cc3)CC2)ccn1 257315975 VDONURDUQSFQQG-UHFFFAOYSA-N 397.494 3.983 0 40 GHAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4F)OCC[C@@]31C2 257329489 XKENFMKCAMZUHM-LBZIOLLISA-N 375.484 3.861 0 40 GHAB CCCC(=O)N1CCC(Cc2cccc(-c3ccncc3)c2)(C(=O)N(C)C)CC1 257279343 OGEDBGMRHRUEEM-UHFFFAOYSA-N 393.531 3.788 0 40 GHAB O=S(=O)(c1ccccc1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 90560559 FURBILDWMADOTE-UHFFFAOYSA-N 381.501 3.651 0 40 GHAB O=C(O)Cc1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1 616580533 YHIDZVSKOKETHF-UHFFFAOYSA-N 394.452 3.809 0 40 GHAB C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2-c2c(F)cccc2F)CS1(=O)=O 666813133 TXLQJBWYOOHTLQ-QWHCGFSZSA-N 394.443 3.719 0 40 GHAB Cc1ccc2cc(CNc3ccc(N4CCC[C@@H](O)C4)cc3)c(=O)[nH]c2c1C 12088304 ZCTGRQOTWYXZAO-OAQYLSRUSA-N 377.488 3.718 0 40 GHAB CCCCn1c(S[C@@H](C)C(=O)NCCC)nc2sc(C)c(C)c2c1=O 12765068 DFOFTVBXWBQJQI-ZDUSSCGKSA-N 381.567 3.882 0 40 GHAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc(OC)c(Cl)c1 13647068 JVATWKXTQNCIBX-UHFFFAOYSA-N 383.897 3.658 0 40 GHAB Oc1nc2sc3c(c2c2nc(-c4ccccc4Br)nn12)CCC3 13655937 GOVGPXIETNYLCL-UHFFFAOYSA-N 387.262 3.963 0 40 GHAB Cc1nc(-c2ccc(NC(=O)Cc3ccc(-n4nnnc4C)cc3)cc2)cs1 19288458 PJGBDDLBVLBRGK-UHFFFAOYSA-N 390.472 3.584 0 40 GHAB Cc1nc([C@@H]2CCCN2C(=O)C2CCC2)ncc1C(=O)Nc1ccc(F)cc1 19766336 AGHSIUUDZKPKQC-SFHVURJKSA-N 382.439 3.640 0 40 GHAB O=C(c1cccnc1Sc1ccccc1)N1CCN(c2nccs2)CC1 22508673 VCXKTNNQKRXVJZ-UHFFFAOYSA-N 382.514 3.652 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 23224225 KUDZXSNNJVLPMD-GFCCVEGCSA-N 376.815 3.788 0 40 GHAB CCOc1ccc(-n2ccnc(SCC(=O)Nc3ccc(C)cc3)c2=O)cc1 4853214 FEGPDAZYHASVEM-UHFFFAOYSA-N 395.484 3.670 0 40 GHAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCCCC1)c1ccccc1F 8901189 RBOSZUHRRVJJRV-QGZVFWFLSA-N 382.526 3.783 0 40 GHAB CC(C)COc1ccc(S(=O)(=O)NCC[C@H](CCO)c2ccsc2)cc1 575608255 RCBLFTVXMZKSLH-MRXNPFEDSA-N 397.562 3.618 0 40 GHAB COc1cccc(Nc2nc(Nc3cccc(OC)c3)nc(N3CCCC3)n2)c1 10213452 UYFIYZQKDUYYDA-UHFFFAOYSA-N 392.463 3.976 0 40 GHAB CN(C)[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccs1 40043169 CGPDEKYZAPTGEI-SFHVURJKSA-N 398.507 3.594 0 40 GHAB Cc1nc(S)sc1CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 40017341 QOFAAADQEMDLEM-SFHVURJKSA-N 392.546 3.958 0 40 GHAB O=C(NCc1csc(Br)c1)c1cccc(Nc2ncccn2)c1 40091144 YTFUMRSQLSUJSW-UHFFFAOYSA-N 389.278 3.974 0 40 GHAB CCc1ccccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(F)cc1 20060467 WAEFXQIYTIOUAF-ZWKOTPCHSA-N 397.479 3.686 0 40 GHAB Cc1cc(N2CCOCC2)ccc1NC(=O)NCCO[C@H]1CCCC[C@H]1C 40105572 KFEGTKPMKMERGC-UZLBHIALSA-N 375.513 3.548 0 40 GHAB COc1ccc(NC(C)=O)cc1CNC(=O)COc1c(C)c(C)cc(C)c1C 645889 IUKHZVODSFAOLJ-UHFFFAOYSA-N 384.476 3.582 0 40 GHAB Cc1ccccc1-n1ncc2c(SCC(=O)NC3CCCCC3)ncnc21 1346286 GBLOSEQADVBDMQ-UHFFFAOYSA-N 381.505 3.665 0 40 GHAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)NCc1ccccc1)c1ccccc1 1377994 UGADSFKSGRBVIL-NHCUHLMSSA-N 377.488 3.712 0 40 GHAB COc1ccc(CNC(=O)[C@H](OC(=O)c2cccs2)c2ccccc2)cc1 1381240 CPQWAQVGNILYCL-LJQANCHMSA-N 381.453 3.971 0 40 GHAB CCC(CC)C(=O)Nc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)s1 1381590 SITQTVIOZLPUQW-VXGBXAGGSA-N 384.571 3.794 0 40 GHAB NC(=O)c1c(NC(=O)Cc2ccc(Br)cc2)sc2c1CCCC2 2616528 DJJRUVHKJNDXJJ-UHFFFAOYSA-N 393.306 3.670 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c(C)c1 3483740 RFLGOIPEXTVFMQ-UHFFFAOYSA-N 392.411 3.944 0 40 GHAB CCCCc1c(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C)nc1Cl 3848746 LQLAURZNZVXIMY-UHFFFAOYSA-N 396.900 3.600 0 40 GHAB biogenic O=C(OCc1ccccc1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4174406 XXYQWZDFBGGFJB-NFQUHZNNSA-N 375.424 3.579 0 40 GHAB CCCCCOC(=O)O[C@@H](C)CNC(=O)[C@H](C)OC(=O)OCCCCC 4403993 ZHNDTAJAVNKQMY-GJZGRUSLSA-N 375.462 3.566 0 40 GHAB CC[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCCc1ccccc1 4902386 QAJAFVBMBZZAFL-LLVKDONJSA-N 387.288 3.744 0 40 GHAB O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NCc1cccs1 4905744 HWDGWQITPPQDPW-UHFFFAOYSA-N 396.563 3.527 0 40 GHAB COc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c(OC)c1 5155551 YRVXOLUCGZDTKT-ABSORMQESA-N 378.472 3.731 0 40 GHAB CCN(Cc1ccccc1)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 5317033 HVOWKRKIQAHUPL-UHFFFAOYSA-N 390.270 3.752 0 40 GHAB O=C(Cc1ccc(Br)cc1)OCC(=O)N1CCCc2ccccc21 5897002 YYNMASBNPACWJJ-UHFFFAOYSA-N 388.261 3.514 0 40 GHAB O=C(COc1ccccc1)c1cn(CC(=O)N2CCCCC2)c2ccccc12 6045617 SPTKQTCFRWCMSV-UHFFFAOYSA-N 376.456 3.916 0 40 GHAB CCCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 6396453 XMIJNZJXYQHNQG-VXGBXAGGSA-N 381.494 3.720 0 40 GHAB CCCOc1cccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)c1 6779104 VKZUCKFZERBXJO-UHFFFAOYSA-N 379.445 3.894 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1)S2 6812137 YAIHBKIIWMETAJ-ZWKOTPCHSA-N 379.489 3.628 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccc(C)cc1)S2 6812169 NRXJATIPNDKIQE-RBUKOAKNSA-N 393.516 3.937 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccncc3)cc2)c1 6945108 ZUXOQQHEKGSTMA-UHFFFAOYSA-N 396.468 3.743 0 40 GHAB CCN1C(=O)N/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C1=O 6951360 RBEIXZMAASEOSP-LICLKQGHSA-N 394.500 3.819 0 40 GHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 6993794 HKGOCKPWEFMLEH-OAHLLOKOSA-N 388.920 3.805 0 40 GHAB Cc1cccc(C)c1NC(=O)C[C@@H]1SC(Cc2nc3ccccc3[nH]2)=NC1=O 7041315 XPGYEYZZJULMND-INIZCTEOSA-N 392.484 3.792 0 40 GHAB O=C1c2ccccc2N[C@@H](c2cc3c(cc2Br)OCO3)N1C1CC1 7886159 QNOIYBMPMBRIQH-QGZVFWFLSA-N 387.233 3.907 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1N1CCN(C)CC1 7989343 KGRNIKBRLXVQQH-UHFFFAOYSA-N 376.460 3.654 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)Cn2ncc(=O)c3ccccc32)cc1 8074042 XTMZXYVELLAFFI-HXUWFJFHSA-N 391.471 3.549 0 40 GHAB CN(C(=O)COC(=O)COc1ccccc1Cc1ccccc1)c1ccccc1 8194818 UUKBCNFNISAWBD-UHFFFAOYSA-N 389.451 3.862 0 40 GHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 8276583 JNXPGYCXYLDKQP-GJYPPUQNSA-N 378.538 3.558 0 40 GHAB O=S(=O)(NCCOc1ccccc1)c1ccc(Cl)cc1C(F)(F)F 8389607 IUAZXVMPMCKEFS-UHFFFAOYSA-N 379.787 3.716 0 40 GHAB CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 8810482 JNNJGDJRXCZKPR-UHFFFAOYSA-N 391.251 3.683 0 40 GHAB CN(Cc1ccccc1N1CCCC1)C(=O)C[C@@H]1Sc2ccccc2NC1=O 9157806 BTNFMBPZEHKKTP-FQEVSTJZSA-N 395.528 3.748 0 40 GHAB C[C@H]1C[C@H]1c1ccc(CN(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)o1 10229023 VIGJOOBFSQPBRC-HNAYVOBHSA-N 381.476 3.600 0 40 GHAB CCOc1cccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 10294707 APOKZDMPWRIPPX-ZDUSSCGKSA-N 396.896 3.532 0 40 GHAB COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(OC)c1OC 11361031 XZIQXOCLFUKXDT-UHFFFAOYSA-N 396.399 3.810 0 40 GHAB C[C@@H]1CCc2c(C(=O)OCC(=O)N3CCC(c4ccccc4)=N3)csc2C1 11515137 HRPPYNKICBNQTL-CQSZACIVSA-N 382.485 3.666 0 40 GHAB Cc1cccc(CN2CCC3(CC2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)c1 11694015 FKLDBTQXKMYTHL-UHFFFAOYSA-N 397.906 3.735 0 40 GHAB CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1 12074898 HUUGLMFRZRILFR-MDWZMJQESA-N 380.444 3.873 0 40 GHAB COc1cc(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)cc(OC)c1OC 12111424 SMIGLUDCQVZSNQ-HNNXBMFYSA-N 391.489 3.595 0 40 GHAB COc1ccccc1CCc1nnc(NC(=O)c2ccc3nc(C)[nH]c3c2)s1 12143764 RXVRQFZCQBWWCN-UHFFFAOYSA-N 393.472 3.769 0 40 GHAB COc1ccc(-n2ccnc2S[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 12529396 JCIWVPVUKMUGQL-CYBMUJFWSA-N 378.457 3.971 0 40 GHAB Cc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2N2CCCCC2)c(=O)[nH]1 12595405 ACXLGVBMZIYVFM-UHFFFAOYSA-N 388.899 3.602 0 40 GHAB C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1cccc(Cl)c1 12776376 RSYFOUSNQKJFJD-CHWSQXEVSA-N 392.908 3.542 0 40 GHAB O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@@H]1COc2ccccc2O1 12788844 PTFKOOUQSVEVOE-VXKWHMMOSA-N 385.423 3.609 0 40 GHAB NC(=O)Cc1csc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)n1 14197123 BYJMDHXENAVCQO-UHFFFAOYSA-N 395.362 3.702 0 40 GHAB Cc1cc(OC[C@H](O)CN2C(=O)c3ccccc3C2=O)c(C(C)C)cc1Cl 15232443 UQTMCKZIXDZUDF-CQSZACIVSA-N 387.863 3.808 0 40 GHAB C[C@H]1CN(C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C2CC2)C[C@@H](C)O1 17077652 LIJYTSIXEYONSM-KXUCPTDWSA-N 379.810 3.630 0 40 GHAB Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)c3cscn3)cc2)on1 19123945 ZTNYNDBMTWKXIQ-UHFFFAOYSA-N 391.456 3.802 0 40 GHAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccc(Cl)cc1Cl)C2 19402324 QPQAXBVEXDQWKX-UHFFFAOYSA-N 387.270 3.697 0 40 GHAB COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(CC(C)C)C1 19447175 LUPFJILEWCZZOH-GCJKJVERSA-N 381.520 3.929 0 40 GHAB COc1ccc(OC)c(CN2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c1 19551619 NRELGORXQNUTQX-QFIPXVFZSA-N 382.435 3.965 0 40 GHAB COc1ccc(Br)cc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 19831580 FRJUIIYCYYSTGB-IKGGRYGDSA-N 391.353 3.788 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 19859631 WGNAGMRBFPFPOI-OAHLLOKOSA-N 392.908 3.521 0 40 GHAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc21 19936611 FIWLHLQVSUFZSJ-UHFFFAOYSA-N 396.424 3.725 0 40 GHAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nn1cnc2ccccc21 22190512 ZIZPIEMLYRIFKE-UHFFFAOYSA-N 397.438 3.735 0 40 GHAB Cc1nc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)sc1C 24042482 QOFKAALZXQKNJL-UHFFFAOYSA-N 383.473 3.941 0 40 GHAB Cc1cccc(COc2cccc(C(=O)NCc3nnc4n3CCCCC4)c2)c1 24986925 ZVKJOEXHKYWLKU-UHFFFAOYSA-N 390.487 3.822 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cccc(Cl)c1Cl 25883162 DXDWQMVZGFOMFZ-UHFFFAOYSA-N 385.272 3.686 0 40 GHAB CCc1nn2c(=O)cc(CNc3ccc(Br)cc3Cl)nc2s1 25902901 ZKOPRHOOVVBZHI-UHFFFAOYSA-N 399.701 3.741 0 40 GHAB Cc1ccc(-c2noc(COC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)n2)cc1 26134460 XEZSDCHHRJZBEF-IBGZPJMESA-N 394.427 3.960 0 40 GHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(Cl)o1 26342242 UNNOIJTUFASEIP-UHFFFAOYSA-N 380.231 3.875 0 40 GHAB Fc1cc2c(c(CN3CCN(Cc4ccc(Cl)s4)CC3)c1)OCOC2 27536756 OFPJTBIIAULDHC-UHFFFAOYSA-N 382.888 3.725 0 40 GHAB CCCCOc1cc(S(=O)(=O)NCc2ccco2)ccc1Br 27824869 KKQRDGWSDXZZBB-UHFFFAOYSA-N 388.283 3.700 0 40 GHAB Cc1nc(CSCCC(=O)N(C)CC(=O)Nc2cccc(C)c2C)cs1 30111184 UFRYOMLVHZGRCH-UHFFFAOYSA-N 391.562 3.789 0 40 GHAB CNC(=O)Nc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 32903093 DUMIVCICZAIEJO-UHFFFAOYSA-N 375.494 3.781 0 40 GHAB COc1ccc(CN(C)Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC 33379598 NPDDQYYMSNGUAI-UHFFFAOYSA-N 399.516 3.513 0 40 GHAB C=CCOc1ccccc1/C=C1/SC(=S)N([C@H](C(=O)O)[C@@H](C)CC)C1=O 35648513 UAEKGQDACOCAPD-XTFUBUKHSA-N 391.514 3.952 0 40 GHAB O=C(Cn1ccc2ccc(Br)cc21)Nc1ccc2c(c1)OCCO2 36357023 SFVWRPMDOPYTFM-UHFFFAOYSA-N 387.233 3.814 0 40 GHAB O=C1C[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N2N=CNC2=N1 38316016 CJPXJILTMFHPHO-MRXNPFEDSA-N 389.242 3.748 0 40 GHAB NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)C1 45887736 ZWRSAVXLQLVEAP-SNVBAGLBSA-N 390.226 3.640 0 40 GHAB COc1ccc(OC)c(NC(=O)COc2ccccc2-c2nc(C(C)C)no2)c1 46012517 ZQCJNUAWKZDOMX-UHFFFAOYSA-N 397.431 3.895 0 40 GHAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(Oc2ccncc2)cc1 50489779 PFPKRFHIUHYJPV-UHFFFAOYSA-N 375.384 3.811 0 40 GHAB C[C@H]1CN(c2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@@H](C)O1 55680451 HEWZYHVNASYFBV-OKILXGFUSA-N 397.500 3.597 0 40 GHAB CS(=O)(=O)Nc1ccccc1NC(=O)CCOc1cccc2ccccc12 56409489 QNBYXOLUICFWQX-UHFFFAOYSA-N 384.457 3.619 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)N(Cc3ccco3)CC(F)(F)F)CC2=O)cc1 58336784 SHZSGAFZFWPCBM-HNNXBMFYSA-N 394.393 3.786 0 40 GHAB C[C@H](OC(=O)c1cc(Br)ccc1O)c1nc(-c2cccnc2)no1 58633779 MODAZRGKSQUFIZ-VIFPVBQESA-N 390.193 3.518 0 40 GHAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)o1 65540525 GAAOQJHHUSVHNN-SMDDNHRTSA-N 381.881 3.732 0 40 GHAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)n1 72374817 ADMRSAOCQUUDAL-HXUWFJFHSA-N 390.487 3.621 0 40 GHAB C[C@@](O)(CNC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 77099553 WMBYJSCOPPJJQJ-QGZVFWFLSA-N 383.231 3.751 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(Cl)nc2SC)cc1 79054627 GXHIHMFBKQYJMP-LBPRGKRZSA-N 391.924 3.915 0 40 GHAB COc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@H](c2cccc(Cl)c2)C1 79106092 DRBTXDAJIHORAH-KRWDZBQOSA-N 386.835 3.891 0 40 GHAB CC(C)c1cc(-c2nnc3sc(-c4ccc(F)c(F)c4F)nn23)n(C)n1 79477217 ZJSUQCPQRRPDCE-UHFFFAOYSA-N 378.383 3.794 0 40 GHAB Cc1nn2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cnc2c1Cl 89534524 XRUYTUBTZGRLOD-UHFFFAOYSA-N 390.774 3.511 0 40 GHAB Cc1ccc(CNC(=O)c2nnc(CN(C)[C@H]3CCc4ccccc43)s2)cc1 89633217 XNTIHIKSOPQMPR-IBGZPJMESA-N 392.528 3.896 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 89768365 ZCMLIAQQHDGTOI-GFCCVEGCSA-N 383.260 3.854 0 40 GHAB COc1ccc(NC(=O)c2c(F)cc(Br)cc2F)cc1NC(C)=O 89962789 MODTUGAQVROKRR-UHFFFAOYSA-N 399.191 3.947 0 40 GHAB O=C(NCc1cccs1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607592 QIFUZCZWEDNWLI-UHFFFAOYSA-N 385.411 3.915 0 40 GHAB Cc1ccc(OCc2nc(CN[C@H]3CCCN(c4ncccn4)C3)cs2)cc1 95959236 FCVLNBHKBQHJOF-KRWDZBQOSA-N 395.532 3.579 0 40 GHAB Cc1ccc(CNC(=O)c2nc3c(Nc4ccccc4)nc4ccccc4n3n2)o1 96146566 MMFFOKCQEVOYOI-UHFFFAOYSA-N 398.426 3.853 0 40 GHAB O=C(NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1)Nc1ccccc1 96296325 KKVKWBKFCCSQLI-KRWDZBQOSA-N 382.851 3.924 0 40 GHAB biogenic,in-vitro COc1cc(OC)c(C[C@H]2C(=O)Nc3ccc(Br)cc32)c(OC)c1 101015129 WJOUYSOELMKEDA-CYBMUJFWSA-N 392.249 3.753 0 40 GHAB CCOc1ccccc1N1CCN([C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 103252925 QQTQOSOVJSIINU-MJCUULBUSA-N 399.579 3.537 0 40 GHAB Cc1ccc(C(=O)O)cc1N[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 103292543 LDXZWGFIZDDBCP-OAHLLOKOSA-N 393.226 3.744 0 40 GHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 113971174 VLIIVTHRZJFGJB-FQEVSTJZSA-N 393.487 3.897 0 40 GHAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1 219300239 FDSRNVYVRYWBCO-OAHLLOKOSA-N 395.459 3.952 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 220150671 ZLJCXEDONXABKO-ROUUACIJSA-N 388.533 3.644 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 222654346 DGDZVWIZCVLMES-FQEVSTJZSA-N 388.458 3.839 0 40 GHAB CS(=O)(=O)N(CCCC(=O)NC1CCCCCCC1)c1ccccc1F 222657384 VVWMYCCFCNJSJR-UHFFFAOYSA-N 384.517 3.601 0 40 GHAB CCCC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)N[C@H](C)CC 223255190 PAKKSGGARCRPOX-KGLIPLIRSA-N 383.330 3.881 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1 223958566 ZDTYDDRXNKMUTC-RTBURBONSA-N 378.457 3.810 0 40 GHAB CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224006668 BEJZCTLQMRLHIX-UHFFFAOYSA-N 380.897 3.979 0 40 GHAB COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1cccc(Cl)c1 224143531 OLCLVALTIMRTRS-SFHVURJKSA-N 375.852 3.836 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)c1 224826799 ULEPDQJKKGNBQB-RTBURBONSA-N 381.457 3.869 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1 225454513 YZMHSMSIHXUYHS-WOJBJXKFSA-N 396.531 3.748 0 40 GHAB Cc1cccn2cc(-c3cccc(NC(=O)c4cc(N5CCCC5)ncn4)c3)nc12 225537463 JAHKNASGBBOGDM-UHFFFAOYSA-N 398.470 3.952 0 40 GHAB CN(C)Cc1cccc(-c2cccnc2C(=O)NCCc2ccccc2F)c1 257219256 DGDYDLGKWOKZJO-UHFFFAOYSA-N 377.463 3.922 0 40 GHAB COCCCNC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 257287797 PROAEJFTJJTFEU-UHFFFAOYSA-N 397.515 3.854 0 40 GHAB Cn1ccnc1CN1CC2(CO[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C2)C1 257306211 STHYPDRXEQDDRU-QFBILLFUSA-N 387.911 3.824 0 40 GHAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1 257331192 XRTPEYIKYRELPP-LJQANCHMSA-N 397.500 3.812 0 40 GHAB O=C(NCc1ccco1)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 408736864 JQTCMWWFUZBACL-NRFANRHFSA-N 390.439 3.660 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cccnc2)C1=O 409334417 LJLVEXAOGUVTHK-VIZOYTHASA-N 387.848 3.718 0 40 GHAB Cc1cc(C)n([C@H](CNC(=O)c2ccc3nsnc3c2)c2cccs2)n1 575610161 LEFUBWZCJRLBQQ-MRXNPFEDSA-N 383.502 3.586 0 40 GHAB Cc1cc(C)n([C@H](CNC(=O)c2ccc(C(F)(F)F)nc2)c2ccsc2)n1 575614316 QGSCPGOYNMUWBX-OAHLLOKOSA-N 394.422 3.995 0 40 GHAB Cc1nc(C)c(CN2C[C@H](C(=O)NCCC(C)(C)C)C3(CCOCC3)C2)s1 585101811 AVPOCRIWEQZYME-QGZVFWFLSA-N 393.597 3.541 0 40 GHAB C[C@H]1Oc2ccccc2CCCCC2(CCN(C(=O)C3CCC3)CC2)CNC1=O 643589364 QOXIJSQVDSZKRA-GOSISDBHSA-N 398.547 3.705 0 40 GHAB Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2ccc3nc[nH]c3c2F)cn1 1156375087 ZQBQTUQTSCQBAY-UHFFFAOYSA-N 397.841 3.932 0 40 GHAB CC(=O)N1CC2=C(C1=O)[C@H](c1cc(F)c(F)c(F)c1)c1c[nH]c3cccc(c13)N2 1547138441 APZBZIDWKCUTLH-QGZVFWFLSA-N 397.356 3.785 0 40 GHAB biogenic CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(F)cc2F)nn1 1776009676 NBLFGTULBJNZEE-SJPCQFCGSA-N 388.462 3.791 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 10951612 HFQXPDLYVNAQJA-XMHCIUCPSA-N 392.407 3.553 0 40 GHAB Cn1ncc2c(C(=O)NCc3csc(-c4ccccc4)n3)cc(C3CC3)nc21 36616953 OUIZIVLXORRXFT-UHFFFAOYSA-N 389.484 3.899 0 40 GHAB COc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc(C)c(C)c2)c1 2501335 MYPOBIXKFOXSBE-LJQANCHMSA-N 393.530 3.757 0 40 GHAB COc1cc(NC(=S)NC(=O)c2cccc(C)c2)ccc1NC(=O)C(C)C 6547185 CNRJCKWXIIVYFT-UHFFFAOYSA-N 385.489 3.725 0 40 GHAB CSc1nc(N2CCCC2)c2cc(C(=O)NCCCOC(C)C)sc2n1 7604290 ZJIQYFRTJJNZQG-UHFFFAOYSA-N 394.566 3.558 0 40 GHAB CC(C)c1ccc(-n2nnnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 7797676 GCTTVLKAXWIYLX-LJQANCHMSA-N 393.516 3.898 0 40 GHAB O=C([C@@H]1Cc2ccccc2O1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 29476768 YQHNKALGCHOPDR-YJBOKZPZSA-N 380.469 3.812 0 40 GHAB C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 10544113 HOLGDQLYFNAQHI-KBPBESRZSA-N 393.380 3.781 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N[C@H](CC(=O)O)c2ccccc2Cl)c(C)c1 2642000 OSGGDKLZLANPQZ-MRXNPFEDSA-N 381.881 3.760 0 40 GHAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1 2388401 LUVKPDSJUIFKNY-UHFFFAOYSA-N 381.505 3.951 0 40 GHAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCc4cc(=O)n5ccsc5n4)cc3c2C1 7778485 FIQNONMLDPYNHF-LBPRGKRZSA-N 393.468 3.719 0 40 GHAB COc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 9236033 AZGJBXGYFQJWNU-UHFFFAOYSA-N 392.249 3.905 0 40 GHAB CN1CCN(c2nc3c(c(Nc4ccc(Cl)cc4)n2)C(=O)CC(C)(C)C3)CC1 9937666 RMWRVRWIEWIJBW-UHFFFAOYSA-N 399.926 3.781 0 40 GHAB Cc1[nH]c2ccc(C(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)cc2c1C 32983134 LULWQMALNVEHCS-IBGZPJMESA-N 396.512 3.614 0 40 GHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)o1 29882818 MXVPEPWJCVPQEY-VFMTZTSHSA-N 380.488 3.565 0 40 GHAB Cc1noc(C)c1S(=O)(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 41369158 BYUXNRXEJUBZFA-UHFFFAOYSA-N 377.853 3.735 0 40 GHAB CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 113895079 DCCZGMOGIHUDDH-UHFFFAOYSA-N 379.453 3.708 0 40 GHAB COc1cccc(NC(=S)N2[C@H]3CCC[C@H]2CC(NC(=O)C(C)(C)C)C3)c1 100426999 PYNPBMJFJIZTNT-IRXDYDNUSA-N 389.565 3.940 0 40 GHAB CCNc1c(NC(=O)Nc2cc(OC)ccc2OC)c(=O)oc2ccccc12 101094237 GLTIGZHNTZPOPG-UHFFFAOYSA-N 383.404 3.886 0 40 GHAB CC(=O)N/C(=C/c1ccccc1)C(=O)/N=c1\sccn1Cc1ccc(C)cc1 102819727 HDMPFNVVRHJBQC-NVTWWLNUSA-N 391.496 3.511 0 40 GHAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N(C)Cc1ccc2c(c1)OCO2 24382675 RAWDBUVEJRKCQB-SOFGYWHQSA-N 389.883 3.901 0 40 GHAB COCCN(Cc1ccccc1)C(=O)c1cnc(SC)n1-c1ccccc1 12530557 OOCGSOQABCCMOO-UHFFFAOYSA-N 381.501 3.883 0 40 GHAB COc1ccccc1Oc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 12536001 LBPDRZQADMOFTP-UHFFFAOYSA-N 399.424 3.987 0 40 GHAB Cc1cccc(NC(=O)CN(C)C(=O)c2nc(-c3ccccc3)oc2C)c1C 24738373 VTPLASONZIJRBJ-UHFFFAOYSA-N 377.444 3.978 0 40 GHAB COC(=O)c1n[nH]c2ccc(NC(=O)c3occc3COc3ccccc3)cc12 25017504 FKEQBLKLBHIILL-UHFFFAOYSA-N 391.383 3.774 0 40 GHAB COc1cc(Br)c(CC(=O)Nc2cccc(C(C)=O)c2)cc1OC 8060986 XZIXUDAPIZQWHO-UHFFFAOYSA-N 392.249 3.850 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2F)nc2ccsc2c1=O 26099824 XQUBVLYDJKOREE-UHFFFAOYSA-N 383.857 3.518 0 40 GHAB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(CN2CCCC2=O)cc1 23063825 RAKWYRHHQAJPOG-UHFFFAOYSA-N 377.849 3.564 0 40 GHAB COc1ccc(Cl)cc1NC(=O)Cn1c(-c2ccccc2)nc(C)cc1=O 57526614 YPKPISQSFGUKMF-UHFFFAOYSA-N 383.835 3.519 0 40 GHAB COc1cc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)cc(OC)c1 35686428 SSVHDHICRCJUJH-UHFFFAOYSA-N 380.448 3.770 0 40 GHAB C[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(-n2ccnc2)cc1 18049126 UTQYGKAMPZTGNC-AUUYWEPGSA-N 392.484 3.553 0 40 GHAB COc1ccccc1OCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCC1 27581562 JOAOSPIUQBZSRM-FQEVSTJZSA-N 382.504 3.726 0 40 GHAB Cc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(C(C)C)cc2)n2nnnc2N3)cc1 10232599 TUDLGPINTHTVNC-HXUWFJFHSA-N 399.458 3.962 0 40 GHAB Cc1nn(Cc2ccc(C(=O)NCc3ccccn3)cc2)c(C)c1Br 27970148 YDFSJFPWXCOHQL-UHFFFAOYSA-N 399.292 3.636 0 40 GHAB Cc1ccc(C)c(N2N=C(C(=O)Nc3cnc(C(C)(C)C)nc3)CCC2=O)c1 58393451 RDUSFDDMGWICJJ-UHFFFAOYSA-N 379.464 3.512 0 40 GHAB COCCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 2211276 MDZCVZZFBSEXEY-UHFFFAOYSA-N 390.443 3.576 0 40 GHAB Cc1cccc(NC(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1 58415645 LNOZSRCLKRETCE-UHFFFAOYSA-N 383.883 3.646 0 40 GHAB CN(CC(=O)NC1(c2ccc(Br)cc2)CC1)c1ccc(Cl)cn1 58430542 WHEZWLAIPWSLQW-UHFFFAOYSA-N 394.700 3.739 0 40 GHAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1cc(-c2ccccc2)[nH]n1 48300285 QRAFZAJGOHFFJD-UHFFFAOYSA-N 375.476 3.782 0 40 GHAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1S(=O)(=O)N1CCCCC1 12859728 UOUIXTOYOLMRHJ-SZVBFZGTSA-N 392.565 3.724 0 40 GHAB COc1ccc(-n2ncc3c2C[C@@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 20633075 YPFRSYBZGQMVII-OAHLLOKOSA-N 378.428 3.811 0 40 GHAB CCCN(Cc1ccc(C)cc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12983201 SPDQEFUNKDRVIC-UHFFFAOYSA-N 375.472 3.704 0 40 GHAB Cc1ccc(Cc2cnc(NC(=O)CNC(=O)c3ccc(F)cc3)s2)cc1 12910438 KGHYHMAPYWIIOO-UHFFFAOYSA-N 383.448 3.550 0 40 GHAB O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)NC1CCCC1 3563409 RVXQXGSUPPKNCI-UHFFFAOYSA-N 389.455 3.755 0 40 GHAB O=c1/c(=C/c2ccc(-c3cccc(Cl)c3)o2)sc2nc(-c3ccco3)nn12 3649390 VYNCVKKCNLITIF-YBEGLDIGSA-N 395.827 3.872 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4)o3)cc2NC1=O 13002730 DPNYUQJVWWINCI-ZDUSSCGKSA-N 377.400 3.632 0 40 GHAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3C)c2c1=O 48989389 NKXCZVQPUFLMCH-UHFFFAOYSA-N 386.455 3.832 0 40 GHAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccnn1Cc1cccs1)C(C)C 8231755 VWBHBDLOOVMKRQ-IBGZPJMESA-N 396.516 3.694 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2ccco2)c(Cl)c1Cl 4178573 BPDZAVUOVQKJEY-UHFFFAOYSA-N 396.317 3.807 0 40 GHAB Cc1ccc(-n2cnnc2SCCN2C(=O)c3ccccc3C2=O)cc1Cl 6104312 ZJYLNPPIFHARFP-UHFFFAOYSA-N 398.875 3.617 0 40 GHAB Cc1ccccc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccc(Cl)cc23)C1=O 5274585 KFADKKBNKIWSHI-GOSISDBHSA-N 381.863 3.594 0 40 GHAB O=C(CN1CCOCC1)Nc1cccc(-c2nc(-c3ccc(F)cc3)cs2)c1 14180667 LPECKNPRZYOFNN-UHFFFAOYSA-N 397.475 3.887 0 40 GHAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1 14237146 MWMBKEBREZKUEC-RDTXWAMCSA-N 394.924 3.520 0 40 GHAB Cc1ccc(OCCNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 14227083 IUBWNSXHESTNOI-UHFFFAOYSA-N 387.530 3.904 0 40 GHAB CCCn1nc(C(=O)Nc2nnc(C(CC)CC)s2)c2ccccc2c1=O 6593824 LKCMGRWEOKAYJY-UHFFFAOYSA-N 385.493 3.814 0 40 GHAB COc1ccc(NC(=O)NCCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 14309860 ZCUGRXYFAHHNNO-AWEZNQCLSA-N 381.432 3.830 0 40 GHAB O=C(NCc1ccccc1CO)c1nc(-c2ccccc2)n2c1CCCCC2 66049342 QVIFTICXPSQVML-UHFFFAOYSA-N 375.472 3.699 0 40 GHAB O=C(COCC(=O)N1CCCCCC1)Nc1ccc(OCc2ccccc2)cc1 4700332 YBCKVKMDYQDFSU-UHFFFAOYSA-N 396.487 3.623 0 40 GHAB COc1ccc(OC)c(-n2c(SC[C@@H]3CCCO3)nc3ccccc3c2=O)c1 6784890 RHEBCYWVUWHPHX-HNNXBMFYSA-N 398.484 3.674 0 40 GHAB O=C1C[C@H](C(=O)N2CCSc3ccccc32)CN1Cc1ccccc1Cl 6880126 WBOIRVRRJDJZOT-HNNXBMFYSA-N 386.904 3.827 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 6811808 NMZDATMDADRZHC-RTBURBONSA-N 393.516 3.855 0 40 GHAB CC[C@@H](NC(=O)NCCc1cnn(-c2ccccc2)c1)c1ccc(OC)cc1 71869514 WPOTTWCGIHLLKQ-OAQYLSRUSA-N 378.476 3.874 0 40 GHAB CNc1ncc(-c2nc(C(=O)NCc3ccc(F)cc3)c3ccccn23)s1 306131255 JZFVASUPHZUTLZ-UHFFFAOYSA-N 381.436 3.569 0 40 GHAB COC(=O)c1ccc(CSc2nc(-c3ccccc3Br)n[nH]2)o1 7252014 SVQUNXMHRDKKLB-UHFFFAOYSA-N 394.250 3.906 0 40 GHAB Cc1ccc(-n2ccc3nc(N4CCc5ccccc5C4)ncc3c2=O)cc1C 19959009 PJFULPQYNBKXEZ-UHFFFAOYSA-N 382.467 3.960 0 40 GHAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCOC)C12CCCCC2 70666185 DJAWSRMSEQXZSH-FQEVSTJZSA-N 386.536 3.882 0 40 GHAB biogenic CCOc1ccc(CC(=O)N2CCc3n[nH]c(-c4ccc(F)cc4)c3C2)cc1 8996532 CRVDYCWKHWMPNH-UHFFFAOYSA-N 379.435 3.742 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(Br)cc1F 9154686 LQNLZUIVLBBWSM-UHFFFAOYSA-N 380.213 3.981 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C2CC2)nn1-c1ccccc1 9460079 WJHVBGMBNOHKEV-UHFFFAOYSA-N 375.428 3.751 0 40 GHAB CCN(CC)C(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 9581868 BQVTXSAODOVJPJ-JOCHJYFZSA-N 375.472 3.890 0 40 GHAB O=C(Nc1ccnn1Cc1cccs1)c1ccc(CSc2nnc[nH]2)cc1 9515476 NLBZEJATFHAJSX-UHFFFAOYSA-N 396.501 3.656 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1C(=O)NC1CCCCC1 408556668 IZSGFPKACKOLKN-UHFFFAOYSA-N 390.480 3.997 0 40 GHAB O=C(COc1ccc(Cl)cc1C1CCCCC1)/N=c1\[nH]nc2ccccn12 84606647 OASSSGOWPJLSRR-UHFFFAOYSA-N 384.867 3.870 0 40 GHAB COc1cc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)ccc1O 95474569 XIGQCFRZEZRGGX-KRWDZBQOSA-N 389.477 3.820 0 40 GHAB Cc1ccc(-c2noc(CCC(=O)N[C@H](Cn3ccnc3)C(C)(C)C)n2)cc1F 78737297 FPKXSUDSSQRTDG-QGZVFWFLSA-N 399.470 3.544 0 40 GHAB CC(=O)c1cccc(NC(=O)N[C@H]2CCS(=O)(=O)c3ccc(Cl)cc32)c1 79107241 GAIAZEHHFPKJSG-INIZCTEOSA-N 392.864 3.583 0 40 GHAB CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1C 22328106 GRSGJWMRBFPDLR-FQEVSTJZSA-N 388.533 3.645 0 40 GHAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(SC)cc2)sc2c1CCC2 408615615 RGRANXKCWUHNNE-UHFFFAOYSA-N 397.543 3.936 0 40 GHAB COc1ccc(-n2nc3ccc(NC(=O)c4cccnc4Cl)cc3n2)cc1 408623219 SBTFQPXMANVJHC-UHFFFAOYSA-N 379.807 3.730 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)ccc1OC 408699226 VOLIZUKNHNIANR-UHFFFAOYSA-N 382.869 3.806 0 40 GHAB C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccnc(O)c1 502311756 SPHGLBYXZBAQCZ-OXQOHEQNSA-N 389.455 3.526 0 40 GHAB Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cnc(C)cn4)C3)n2)c1 72362507 YXABUCVVLDJQJG-QGZVFWFLSA-N 389.459 3.696 0 40 GHAB Cc1csc(C2(NC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)CCCC2)n1 522167750 HPJJCLGMUFRGHA-GOSISDBHSA-N 384.549 3.644 0 40 GHAB c1cc2c(cc1CSCc1nc(-c3ccc4c(c3)OCO4)no1)OCCO2 524261430 POTNRWNZWHLFKG-UHFFFAOYSA-N 384.413 3.670 0 40 GHAB CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 72379026 YCANDRCYYHALCB-GOSISDBHSA-N 390.487 3.615 0 40 GHAB CCOc1cc(O)c(-c2nc(N)ncc2-c2ccc3c(c2)OCCO3)cc1CC 6755270 WNMCFUQFJGYXHK-UHFFFAOYSA-N 393.443 3.831 0 40 GHAB biogenic COc1ccc(CN2CN(c3ccc(F)cc3)c3nc(C)c(C)c(=O)n3C2)cc1 35572539 HBRJMMOPITUJRF-UHFFFAOYSA-N 394.450 3.577 0 40 GHAB CCCCCn1c(=O)[nH]c2cc(-c3nc(-c4ccccc4)no3)ccc2c1=O 38655368 BZAKRVVQIXOIEN-UHFFFAOYSA-N 376.416 3.597 0 40 GHAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(NC(N)=O)cc1 45781570 BOOWTPLGWSSJIJ-AWEZNQCLSA-N 378.432 3.642 0 40 GHAB COc1ccc2cc(S(=O)(=O)NCCOc3ccccc3Cl)ccc2c1 224659194 LMQXXSSPHFKWQF-UHFFFAOYSA-N 391.876 3.859 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2cccnc2)c1C 222772631 JALJVLQGQOFYLW-NHCUHLMSSA-N 391.544 3.936 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OC3CCCC3)cc2)cc1 224905745 HDKYYZRUIXIMDR-UHFFFAOYSA-N 388.489 3.792 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)cc1 223982414 FRNFRWGDSPZXSS-VQTJNVASSA-N 391.500 3.556 0 40 GHAB Cc1nccn1-c1ccc(CNC(=O)COc2cccc3c2CCCC3)cc1 224975669 YTDUAFCANIRFCP-UHFFFAOYSA-N 375.472 3.755 0 40 GHAB O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 44900317 XGUAYVBGHTYALV-UHFFFAOYSA-N 399.497 3.613 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@@H](Oc2cccc3cccnc23)C1 225704789 KFIVRKWZMQYIEK-PDFOZTTASA-N 388.423 3.657 0 40 GHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccccc1F 224087347 CEWHRQVBHCRMID-HNNXBMFYSA-N 388.458 3.839 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)c(Cl)c2)cc1 224020954 POZKQESKFZJKAI-UHFFFAOYSA-N 396.896 3.678 0 40 GHAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1cccnc1)c1ccccc1 223473680 MCCAGNLNTIRTDS-QFIPXVFZSA-N 391.446 3.627 0 40 GHAB CCCCCCn1c(SCc2nc3c(cnn3C)c(=O)[nH]2)nc2ccccc21 48356525 FHVWZXZYVDZMGX-UHFFFAOYSA-N 396.520 3.879 0 40 GHAB Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n1 257332004 XVIBNOJKYXPVJK-KRWDZBQOSA-N 394.450 3.521 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 260593185 YGEQOKJBYCDESR-QZTJIDSGSA-N 388.533 3.644 0 40 GHAB COc1ccc(OCCN2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc1 96833117 XDPRIFIBXBSTOF-UHFFFAOYSA-N 393.487 3.547 0 40 GHAB CCN(c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1)S(=O)(=O)c1ccccc1 1073483656 KLMKZFMQKLGBFJ-DJPFJPOOSA-N 398.528 3.820 0 40 GHAB Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c(C(N)=O)c1-c1ccccc1 5127422 XHEKOUWCXUFASW-KBPBESRZSA-N 386.473 3.652 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O 5304322 RHRFIEMBFWENML-JXFKEZNVSA-N 375.472 3.753 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(C(F)(F)F)c2)NC(=O)N1 5517345 CAVUUEWFWKXYFQ-INIZCTEOSA-N 375.350 3.972 0 40 GHAB COc1ccc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cc1CO 12364251 ZEICGSGHQFEJPL-UHFFFAOYSA-N 386.398 3.679 0 40 GHAB O=C(C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1Sc1ccccc1 13625987 RZMQOSLRWYACBH-ZIFCJYIRSA-N 395.528 3.566 0 40 GHAB CCCCOc1c(I)cc(/C=C/C(=O)O)cc1OC 13747698 TWHJAOALCDAEFR-AATRIKPKSA-N 376.190 3.577 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 13858304 SPCFVFCHUAJQBI-NSHDSACASA-N 393.447 3.715 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1C 14003348 GHBVEBNPNXQOLO-UHFFFAOYSA-N 378.428 3.844 0 40 GHAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 14398130 BCPLYNMZMMSMDE-LJQANCHMSA-N 396.487 3.702 0 40 GHAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(N2CCCC2=O)c1 18085751 XMCQOLVVNOFRAI-UHFFFAOYSA-N 391.471 3.692 0 40 GHAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccccc1Cl 19819046 UZTBNRKDCCRCOE-OAHLLOKOSA-N 398.846 3.779 0 40 GHAB Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1C 206659397 IMERZWGFLTUWBX-IDPBPBMLSA-N 386.451 3.867 0 40 GHAB O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(F)cc1Cl 206785846 XVUWLVGFBKZPJS-GFCCVEGCSA-N 387.764 3.902 0 40 GHAB O=C(NCc1cccnc1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 19348535 YEVCVGMFJPVLNO-UHFFFAOYSA-N 387.483 3.799 0 40 GHAB CN1CCN(Cc2ccccc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 19589556 SELMXPVFPZNMFF-DEOSSOPVSA-N 385.511 3.882 0 40 GHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(Cc2ccccc2F)CC1 1889038763 XUMQPJSCEIHEIF-UHFFFAOYSA-N 383.442 3.895 0 40 GHAB Cc1sc2nc(CN3CCOCC3)nc(Nc3ccc4[nH]ncc4c3)c2c1C 20667882 WTWLTSYCHKVHMI-UHFFFAOYSA-N 394.504 3.760 0 40 GHAB FC(F)(F)c1ccnc(N2CC[C@@H](Oc3ccncc3Br)C2)c1 1776008654 LJYKWHSXLIUFHQ-LLVKDONJSA-N 388.187 3.916 0 40 GHAB Cc1cc(N2CC[C@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)nc(C)n1 2037612730 GRQRULMYPOFAGT-INIZCTEOSA-N 381.455 3.571 0 40 GHAB CCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2cccc(OC)c2)cc1 714655 IMDRHJWBLIYNEF-LJQANCHMSA-N 392.377 3.867 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1C 4375533 OGROBLXHZOANMG-UHFFFAOYSA-N 397.475 3.863 0 40 GHAB CC(=O)N1CCc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2C1 9035015 QPJYTYMNWMPVDA-UHFFFAOYSA-N 393.270 3.916 0 40 GHAB Clc1cccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 9708952 ZOULHMDCGSVRNI-UHFFFAOYSA-N 382.855 3.849 0 40 GHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21 13011083 LTCNDFASWDHZLD-UHFFFAOYSA-N 396.871 3.969 0 40 GHAB Cc1cc(O)c([C@@H](c2ccncc2)N2CCC(C)CC2)c(=O)n1Cc1ccco1 22698343 FDVXCMDCMACEHO-JOCHJYFZSA-N 393.487 3.720 0 40 GHAB COc1ccccc1-c1noc(Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)n1 44166119 AGNVEFHBRPXXOI-UHFFFAOYSA-N 388.427 3.634 0 40 GHAB O=C(CSC1CCCC1)NCCc1csc2nc(-c3cccs3)nn12 49505032 HKSDEDGZMICTNJ-UHFFFAOYSA-N 392.575 3.854 0 40 GHAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)Cc1cccc2ccccc12 238815121 BGNHERFJOMIUSP-XMMPIXPASA-N 375.468 3.731 0 40 GHAB COc1ccc([C@@H]2[C@@H](C(=O)NC3CC3)CCC(=O)N2c2ccc(C)cc2)cc1 30553917 YEWGQEZKMJHUSC-RBBKRZOGSA-N 378.472 3.767 0 40 GHAB CCc1ccc(N2C[C@H](c3nnc(NC(=O)C(C)(C)CC)s3)CC2=O)cc1 20192420 BHTYUMALNGUJCX-CQSZACIVSA-N 386.521 3.996 0 40 GHAB Cn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1cccnc1 2415188 XLIGPEDUABROBG-UHFFFAOYSA-N 389.278 3.615 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)c1C 917181 QSEGJCNVVFSKTD-UHFFFAOYSA-N 377.473 3.864 0 40 GHAB O=C(CSc1nnnn1-c1ccccc1)Nc1cccc(Cl)c1Cl 1000127 FLWNKBUXEUWFCO-UHFFFAOYSA-N 380.260 3.700 0 40 GHAB FC1(F)C(F)(F)[C@](F)(Br)C1(Br)Br 2584320 CBLRSOIUUWXHBU-REOHCLBHSA-N 382.746 3.817 0 40 GHAB Cc1cc(C)c(C(=O)[C@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1C 31745224 VJJLLVSWXCULCG-HNNXBMFYSA-N 392.546 3.621 0 40 GHAB CC(=O)c1ccc(N2CCN(C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 51112355 OSULMHAYFMJYJM-HXUWFJFHSA-N 392.421 3.764 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc2ccccc2o1 3547603 MNHSTVNRCLXPGX-UHFFFAOYSA-N 387.233 3.872 0 40 GHAB Cc1c(C(=O)N[C@@H](C)c2ccccc2)nnn1-c1ccc(Br)cc1 51318009 GRWRBHUCKBFKHU-LBPRGKRZSA-N 385.265 3.829 0 40 GHAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cc(Cl)cc(Cl)c1 10383472 RBPRRLBLJIQHHM-UHFFFAOYSA-N 379.243 3.718 0 40 GHAB COc1ccccc1/C=C/C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 2617166 KYJXNFCFUDGWLP-ZHACJKMWSA-N 396.468 3.629 0 40 GHAB O=C(CCNC(=O)N(CC1CCCCC1)C1CC1)N1CCc2sccc2C1 52330138 IZPGDGYCDMERSL-UHFFFAOYSA-N 389.565 3.777 0 40 GHAB C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C)C(N)=O 9944410 JHNJVTVFKSMOJN-PWSUYJOCSA-N 378.567 3.661 0 40 GHAB CCOC(=O)c1cc(CC)sc1NC(=O)Cc1cnn(-c2ccccc2)c1 32900051 WXBHGXZZSAPHHR-UHFFFAOYSA-N 383.473 3.854 0 40 GHAB O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1occc1-c1ccccc1 21740464 ZVBMNSBOUOWRQW-UHFFFAOYSA-N 380.787 3.965 0 40 GHAB CCN(CCNC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccc(C)c1 17841308 LARHAAYEVMAPGR-UHFFFAOYSA-N 399.560 3.551 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H](CN(C)C)c3ccccc3)c12 29954044 INQWCVLUFZGVTE-SFHVURJKSA-N 390.443 3.824 0 40 GHAB C[C@@H](NC(=O)c1ccccc1OCC(N)=O)C(c1ccccc1)c1ccccc1 33178310 CXOHKJAPNAQRTM-QGZVFWFLSA-N 388.467 3.501 0 40 GHAB CCOc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCCc1ccccc1 674565 BSMIQSNQAUZQQG-HXUWFJFHSA-N 396.512 3.664 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccccc3Cl)sc2c1 2772267 VDTFEDVKZYOAOC-UHFFFAOYSA-N 381.866 3.997 0 40 GHAB O=C(O[C@H]1Oc2ccccc2O[C@@H]1OC(=O)c1ccccc1)c1ccccc1 676035 IBCQZWLWJZCBGF-FGZHOGPDSA-N 376.364 3.824 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)/N=c2\cc[nH]n2[C@@H](C)C2CC2)no1 103961593 YYAXDWIUINNNHB-OLDCTRRGSA-N 383.477 3.512 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1C 24843265 RMNFSYSZKHINAJ-UHFFFAOYSA-N 397.456 3.729 0 40 GHAB COc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 101277118 OPBZRYCBUJUDNA-CQSZACIVSA-N 395.242 3.755 0 40 GHAB Cc1nc(-c2ccc(CC(=O)Nc3cccnc3-n3cccn3)cc2)cs1 25012356 ZUSKDOOBFHCJIB-UHFFFAOYSA-N 375.457 3.880 0 40 GHAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@H]1c1ccc(F)cc1 25540005 RUSLDHHIEHQYKE-INIZCTEOSA-N 383.391 3.799 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 57616321 FURVIZLZTGZLSK-UHFFFAOYSA-N 377.506 3.731 0 40 GHAB COc1nc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc2ccccc12 108977100 OVUQICCCGSKJPO-UHFFFAOYSA-N 395.503 3.545 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1 3170479 ISVXFHBMYBILHY-UHFFFAOYSA-N 378.831 3.979 0 40 GHAB O=C1CCCN1C[C@@H](NCc1csc(-c2ccccn2)n1)c1ccccc1 47795040 ZWAVRDGCRVDWJB-LJQANCHMSA-N 378.501 3.658 0 40 GHAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=S)NC1CCCCC1 2341711 PSGQWBYJCXJRGT-UHFFFAOYSA-N 375.494 3.972 0 40 GHAB COc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc(Cl)c1OC(C)=O 2302711 VIQWFNJWLLVPQR-NVNXTCNLSA-N 389.766 3.758 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 12750792 AYCPFDMLJOBAJE-HNNXBMFYSA-N 392.425 3.640 0 40 GHAB CCc1ccc2c(CN(CC)CC(=O)NCc3cccs3)cc(=O)oc2c1 7788929 XKDKMZVVDPMNBE-UHFFFAOYSA-N 384.501 3.555 0 40 GHAB CC1(C)Cc2cccc(OC3CCN(Cn4c(=O)oc5ccccc54)CC3)c2O1 48279367 MGUMYIFZCYHEDI-UHFFFAOYSA-N 394.471 3.809 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c(C)c1 12820060 FAWXPVCPJIPISR-UHFFFAOYSA-N 383.517 3.677 0 40 GHAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1cn(-c2ccccc2)nc1C 12821397 NFOJMFUPRPGBOD-FQEVSTJZSA-N 388.427 3.607 0 40 GHAB CCS(=O)(=O)c1ccc2oc(/C=C/c3cnn(-c4ccccc4)c3)nc2c1 12857038 FXJJIGOLYBQPIG-DHZHZOJOSA-N 379.441 3.978 0 40 GHAB COC(=O)c1ccc(CN(C)C(=O)c2ccc(CN3CCCCC3)cc2)cc1 12867785 JDRYKKDRGLEDKQ-UHFFFAOYSA-N 380.488 3.731 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 3425826 FXNCKDPSMDEFER-UHFFFAOYSA-N 380.897 3.688 0 40 GHAB CC(C)N(C(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccs1)C(C)C 3429621 ONZUYDDOTWQBDG-UHFFFAOYSA-N 394.562 3.584 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c(F)c1 16111023 NKLMKWQUQARPNA-UHFFFAOYSA-N 393.462 3.791 0 40 GHAB Cc1cc(N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n2ncnc2n1 12909454 CRPYSHHEHYWSEG-MRXNPFEDSA-N 386.459 3.882 0 40 GHAB COCCNC(=S)c1ccc(OCc2ccc(Br)cc2)cc1 408578135 VXQJGNVEOKWNFF-UHFFFAOYSA-N 380.307 3.940 0 40 GHAB COc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)c(OC)c1 3606788 ABBUIKPXOUICDA-WEVVVXLNSA-N 379.359 3.966 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccco2)C1=O 409310432 ADBSXYRHCHKQEQ-RIYZIHGNSA-N 376.821 3.916 0 40 GHAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@@H](O)c4ccc(O)cc4)[C@H]3C=C12 4073811 UIYOCYWELGJUCX-GZOJSBRPSA-N 399.531 3.672 0 40 GHAB biogenic CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21)c1ccccc1 409373955 ZUUOYLNGJMOAEF-ZYOFANERSA-N 385.419 3.810 0 40 GHAB Cc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 28943312 LTQAPRUWNHUZTQ-UHFFFAOYSA-N 398.459 3.968 0 40 GHAB OCCCNc1nc2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3 13725304 LXLUCFBUDSANRX-UHFFFAOYSA-N 379.489 3.679 0 40 GHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 408706411 ODDOXQLJADSCPD-UHFFFAOYSA-N 386.395 3.744 0 40 GHAB CC[C@H]1CCc2c(sc(NC(=O)c3ccc(OC)c(OC)c3)c2C(N)=O)C1 6122351 AGVACDJFSSHMQL-NSHDSACASA-N 388.489 3.631 0 40 GHAB COc1ccc(C(=O)N[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C(C)C)cc1 6200836 IAXPNFGVKVMLOT-SXYIGIQMSA-N 384.520 3.535 0 40 GHAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(F)c2)no1 5269159 AZOWDCFKIMWCTB-SFHVURJKSA-N 376.343 3.978 0 40 GHAB COc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1c(F)cccc1Cl 4573323 JSSARJZMIKOZJM-RHSMWYFYSA-N 397.855 3.855 0 40 GHAB CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 4593096 NWQUJZSEJQHILX-GQSCTRQFSA-N 386.451 3.813 0 40 GHAB O=C(CCC(=O)NCc1cccc(Br)c1)NCCC1=CCCCC1 4549308 MYRTUFGDHJLADZ-UHFFFAOYSA-N 393.325 3.852 0 40 GHAB Cc1ccc(C2=Nn3c(nnc3-c3ccccc3F)S[C@H]2CC(=O)O)cc1 8391813 JLVCDXOBIDZNIA-HNNXBMFYSA-N 382.420 3.594 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1(c2ccccc2)CC1 6530424 FOSOJSCUIJGSOH-UHFFFAOYSA-N 398.528 3.840 0 40 GHAB CCOc1cc([C@@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)ccc1O 4742009 OHPHNIAHAZEQGW-LJQANCHMSA-N 379.416 3.603 0 40 GHAB COc1ccc(CN(C)CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC 5689840 KOKCDCNVOACXJF-UHFFFAOYSA-N 397.519 3.765 0 40 GHAB O=C(O)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 4863197 BKYZHVABKWQOFK-CQSZACIVSA-N 391.221 3.585 0 40 GHAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1C[C@H]1CCCO1 4828295 LNSGKAXQXXIBII-CQSZACIVSA-N 387.461 3.902 0 40 GHAB O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1cccc(Cl)c1 67298651 KAAVSDNYATZXAJ-JOGXUEJDSA-N 398.846 3.933 0 40 GHAB O=C(COc1ccc(F)cc1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F 409346783 PNAQCDSRVKNNJS-QGZVFWFLSA-N 388.361 3.624 0 40 GHAB O=C(OCc1nccn1Cc1ccccc1)c1csc(Nc2ccccn2)n1 89841141 SOSJGHMWQZOBBE-UHFFFAOYSA-N 391.456 3.884 0 40 GHAB CCCc1nnc(NC(=O)CCC(=O)Nc2cc(C)c(Cl)cc2OC)s1 9357977 BZBKUZURCSPQEL-UHFFFAOYSA-N 396.900 3.818 0 40 GHAB CCCc1nnc2sc(-c3cccc(NC(=O)COc4ccccc4)c3)nn12 20609686 RWUXYIIPOZBSMZ-UHFFFAOYSA-N 393.472 3.823 0 40 GHAB COc1cc(CCC(=O)Nc2cccc(CCN(C)C3CC3)c2)cc(OC)c1 95460075 MEQNVENWCMWFCT-UHFFFAOYSA-N 382.504 3.912 0 40 GHAB COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Cc3ccc(C)cc3)n2)cc1 98212232 ZHISJOLOSWJKNF-IBGZPJMESA-N 377.444 3.960 0 40 GHAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1ccnn1C 28228802 WZPNPMCBZUIXKO-UHFFFAOYSA-N 393.369 3.541 0 40 GHAB O=C1c2ccccc2CC[C@@H]1[C@]1(O)C(=O)N(Cc2cccs2)c2ccccc21 9926033 OGDSGZXUUYNANL-CVDCTZTESA-N 389.476 3.928 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1NC(C)=O 408558382 RDISACLLNLWCJP-UHFFFAOYSA-N 376.478 3.715 0 40 GHAB CC(=O)c1ccccc1OCC(=O)Nc1cccc(I)c1 36799333 PFMREHXMYWJPNQ-UHFFFAOYSA-N 395.196 3.511 0 40 GHAB CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1C)N(c1ccccc1)S(C)(=O)=O 36067896 WBVFPHZMASZLEF-YLJYHZDGSA-N 388.533 3.725 0 40 GHAB Cc1ccccc1CN1CCC(C(=O)NCCCN(C)c2ccccc2)CC1 219406163 NVDGFNSNFOKCQW-UHFFFAOYSA-N 379.548 3.850 0 40 GHAB C/C=C(/C)C(=O)O[C@@H](COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O 31156192 VJVXQSFKTVUEFY-LGVHXXEASA-N 386.400 3.567 0 40 GHAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1OC 36620301 OULQKPICZNJOFH-MRXNPFEDSA-N 381.881 3.883 0 40 GHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(c2ccccc2F)CC1 224882112 VOKSFNMUYGKDAN-KRWDZBQOSA-N 382.479 3.821 0 40 GHAB COc1ccc(C(=O)Nc2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 41076525 KJODIJANCJZZDL-UHFFFAOYSA-N 385.836 3.767 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSc1ccccc1 224645231 PRSFSWSEURIEFA-INIZCTEOSA-N 388.508 3.860 0 40 GHAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccccc2Br)c1 48333221 XHXMMCYPTIZAKM-ZDUSSCGKSA-N 389.293 3.907 0 40 GHAB CCOC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc2ccccc2c1 225051581 XHQQTAGANQJTOU-UHFFFAOYSA-N 399.468 3.607 0 40 GHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 223076039 MBGGVTLRPMUNIY-RTWAWAEBSA-N 392.528 3.881 0 40 GHAB COc1ccc(NC(=S)NCc2nc(-c3ccccc3)no2)c2cccnc12 225814243 UBCYKXZFDXDXCT-UHFFFAOYSA-N 391.456 3.780 0 40 GHAB C[C@H]1c2c(F)cccc2CCN1C(=O)c1cnc(OCc2ccccc2)cn1 578107191 CUPKRWXUDFZJAN-HNNXBMFYSA-N 377.419 3.954 0 40 GHAB CC(C)c1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCOCC2)cc1 96117277 TZHXLELKXDXEKF-GOSISDBHSA-N 387.505 3.838 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607538 SHAQTNRKMZOXPU-UHFFFAOYSA-N 394.349 3.513 0 40 GHAB CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 585084096 FGOSLFFLMUNVIE-GASCZTMLSA-N 398.425 3.772 0 40 GHAB CN(C)Cc1cccc(-c2cccnc2C(=O)N(C)CCOc2ccccc2)c1 257283984 PATVBECTHJHUHV-UHFFFAOYSA-N 389.499 3.961 0 40 GHAB CCC(=O)N1CCC[C@@H](c2nc(C)c(CC(=O)Nc3ccc(F)cc3)c(C)n2)C1 257263470 LQAZZIYPCHHSSJ-MRXNPFEDSA-N 398.482 3.530 0 40 GHAB O=C(N1CCC[C@@H](c2cnccn2)C1)C1(c2ccc(Cl)cc2)CCOCC1 257334516 YGGSLVQAYVDCGO-MRXNPFEDSA-N 385.895 3.584 0 40 GHAB Cc1cc(C(=O)Nc2cnn(C3CCN(C)CC3)c2)nn1-c1ccc(Cl)cc1 634093196 JDDDBZRBJPHXSP-UHFFFAOYSA-N 398.898 3.550 0 40 GHAB Cc1ccc(C(=O)c2ccc(CC(=O)N[C@@H]3CCCc4cnccc43)n2C)cc1 1177246719 YCKBCQJKAFPACC-OAQYLSRUSA-N 387.483 3.696 0 40 GHAB CN(CC(=O)O)[C@@H]1CCCN(C(=O)Nc2ccc3oc4ccccc4c3c2)CC1 561187917 KKLSKFSRBZRSPI-MRXNPFEDSA-N 395.459 3.989 0 40 GHAB COc1ccccc1NC(=O)Cc1noc(C[C@]23CCCC[C@@H]2C3(F)F)n1 585091631 ADMBVFXEFGYVDX-KBXCAEBGSA-N 377.391 3.627 0 40 GHAB O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)[C@@H]1COc2ccccc2O1 56200716 PKGDKTOEEXCUFX-INIZCTEOSA-N 389.333 3.670 0 40 GHAB Cc1ccc(C2=N/C(=C\c3ccc(I)cc3)C(=O)N2)cc1 1441497 DGJDJFRCFCNTSY-GDNBJRDFSA-N 388.208 3.517 0 40 GHAB Cc1nnc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)o1 5627118 KVONVMGCPFUWQL-UHFFFAOYSA-N 377.857 3.829 0 40 GHAB Cc1cc(NS(=O)(=O)c2cc(N3CCCC3=O)ccc2C)c2ncccc2c1 12117131 FSDKXYOKWPQRQS-UHFFFAOYSA-N 395.484 3.779 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1 12118660 LPZZZBFIAJGMPK-QGZVFWFLSA-N 390.491 3.713 0 40 GHAB CCC[C@H]1c2cccn2CCN1C(=O)c1cc(-c2cc(OC)ccc2OC)n[nH]1 12147483 JGSSUBCDKWXIEM-FQEVSTJZSA-N 394.475 3.893 0 40 GHAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2nc(-c3ccccc3)cs2)cc1 12800085 YSGFYPFNFZOSGW-UHFFFAOYSA-N 394.500 3.628 0 40 GHAB COC(=O)c1cccc(NC(=O)c2csc(-c3cccc(OC)c3OC)n2)c1 13012478 NOZICMGPAHNSLR-UHFFFAOYSA-N 398.440 3.866 0 40 GHAB COc1ccccc1/C=C/CN1CCC([C@H](NC(C)=O)c2ccccn2)CC1 19020423 IIGDYEIWXITOIS-WCYCAPIHSA-N 379.504 3.693 0 40 GHAB Cc1ccc2oc(C(=O)Nc3ccnn3Cc3ccc4c(c3)OCO4)cc2c1 19221403 MWCXUFUIJAFWCI-UHFFFAOYSA-N 375.384 3.967 0 40 GHAB Cn1ccnc1-c1nc(NCCc2cnccn2)ncc1-c1ccc(Cl)cc1 19291692 CFVYIVWHFMOADB-UHFFFAOYSA-N 391.866 3.642 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cccnc3)cc2N1 19520746 RZYLBSIOFHLTEJ-FVQBIDKESA-N 393.413 3.953 0 40 GHAB Cc1nc(NC(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)sc1C 19656639 UYCPJYQOXLSGQA-UHFFFAOYSA-N 382.489 3.545 0 40 GHAB Cc1ccccc1OCCCn1cncc1-c1cc2c(cc1C)n(C)c(=O)n2C 19719940 NFNAPHIXLZPAGZ-UHFFFAOYSA-N 390.487 3.826 0 40 GHAB CCCn1ncc2ccc([C@H]3CCCN(C(=O)COc4ccccc4)C3)nc21 19744516 HJAUPJJGJWYOJU-SFHVURJKSA-N 378.476 3.626 0 40 GHAB C[C@H]1CCc2nc(NC(=O)CC3CCN(Cc4ccccn4)CC3)sc2C1 19748773 QBZZVXXKBPPSFD-HNNXBMFYSA-N 384.549 3.904 0 40 GHAB CCOC(=O)N[C@@H]([C@@H]1C(=O)N(c2ccccc2)N=C1C)C(Cl)(Cl)Cl 4280919 IAOAPDJOHWRFIF-NEPJUHHUSA-N 392.670 3.510 0 40 GHAB Cc1nc([C@H](Cc2ccsc2)NC(=O)CCCN2CCCC2=O)sc1C 12228111 UFBLEXDHJZTYMD-INIZCTEOSA-N 391.562 3.624 0 40 GHAB CN1Cc2ccccc2OC2(CCC(N(C)C(=O)COc3ccccc3)CC2)C1 19590849 UYYBAAIWIBNIEI-UHFFFAOYSA-N 394.515 3.730 0 40 GHAB COc1cccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)c1OC 4033077 INNQUQJNNSWOAQ-UHFFFAOYSA-N 388.427 3.974 0 40 GHAB O=C(CS(=O)(=O)c1ccccc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 4250503 XTNBFANEZWBMIS-UHFFFAOYSA-N 391.452 3.642 0 40 GHAB Cc1cc2nc(N(CCCN3CCOCC3)C(=O)c3ccco3)sc2cc1C 22997958 KAVYURPNBXRSSM-UHFFFAOYSA-N 399.516 3.875 0 40 GHAB COc1cccc([C@H](CNC(=O)c2ccc3ccccc3c2)N2CCOCC2)c1 23106080 LNXSFTUYKVCKAL-QHCPKHFHSA-N 390.483 3.652 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccn(C)n2)CC1 575616569 QKUGLCBDYFLLGN-GFCCVEGCSA-N 382.291 3.900 0 40 GHAB COCCCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccccc1 12419726 PRBOHRPXCUMEIH-UHFFFAOYSA-N 390.436 3.762 0 40 GHAB CC(C)CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)CC3CC3)nc12 40149243 FXXKGLXQKBGRJI-UHFFFAOYSA-N 385.537 3.526 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)CC1=O 7986434 RHPLCBCMZDICIW-HNNXBMFYSA-N 393.468 3.810 0 40 GHAB CC(C)CNC(=O)[C@H](C)S(=O)(=O)Cc1ccccc1Oc1ccccc1 45347280 LVZYKBINQKJCKZ-INIZCTEOSA-N 375.490 3.554 0 40 GHAB COc1ccc(Cn2nnnc2SCC(=O)c2ccc3c(c2)CCCC3)cc1 16369225 MFVZMWMQWZDIGU-UHFFFAOYSA-N 394.500 3.584 0 40 GHAB CC(=O)c1cccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)cnc3c2)c1 32088850 MXPOMYRYNNKOQU-UHFFFAOYSA-N 383.407 3.841 0 40 GHAB O=C(c1cccs1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccccc3)ccc(=O)n1C2 4258766 IBFVONZLCNGBNC-DOTOQJQBSA-N 376.481 3.836 0 40 GHAB biogenic,in-vitro O=C(NCC1CCN(C(=O)c2c(F)cccc2F)CC1)c1c(F)cccc1F 6925690 QKZYEZDWBWEPFR-UHFFFAOYSA-N 394.368 3.525 0 40 GHAB Cc1cc2nc(CSc3ccccc3NC(=O)c3ccco3)cc(=O)n2o1 7007227 ZUTCUWNAYRLXGW-UHFFFAOYSA-N 381.413 3.734 0 40 GHAB COc1cc(-c2ccccc2)sc1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 54017621 JADGNHGVCXWERT-MRXNPFEDSA-N 394.500 3.613 0 40 GHAB CCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC)c2)cc1 8316551 CBEHKBHATUHUAK-UHFFFAOYSA-N 380.897 3.843 0 40 GHAB COc1cc(CNC(=O)C2(c3cccc(F)c3)CCCC2)cc(OC)c1OC 32741296 ZJHVOQQCBMQNHY-UHFFFAOYSA-N 387.451 3.980 0 40 GHAB COCCn1c(SCC(=O)N[C@H](C)c2ccc(C)c(C)c2)nc(C)c1C 32810095 KKYWMMMKORXCIM-MRXNPFEDSA-N 375.538 3.733 0 40 GHAB CC(C)n1nnnc1SCCC(=O)N[C@H](c1ccccc1)c1cccs1 32871284 WETPUKVCQPDAIS-QGZVFWFLSA-N 387.534 3.704 0 40 GHAB Oc1ccccc1N1CCN(Cn2nc(/C=C/c3ccccc3)[nH]c2=S)CC1 32899383 KTCLHQNVPJDFDJ-ZHACJKMWSA-N 393.516 3.596 0 40 GHAB CC(C)(C)c1cc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)on1 32971644 CTSVNUZDZUBKKS-INIZCTEOSA-N 393.443 3.771 0 40 GHAB Cc1cccc(-c2nc3s/c(=C/c4ccc(C(C)(C)C)cc4)c(=O)n3n2)c1 26533789 KGHCJGMYJFQXMI-QGOAFFKASA-N 375.497 3.972 0 40 GHAB COCCn1nc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)ccc1=O 22131359 NYGKSKLOEGPATB-UHFFFAOYSA-N 399.834 3.588 0 40 GHAB Cc1ncc(CN(C)C(=O)Nc2ccc(-n3cncn3)cc2C(F)(F)F)s1 47675076 PENCLCFEVYCEDI-UHFFFAOYSA-N 396.398 3.715 0 40 GHAB Cc1ccc2c(C)c(CCC(=O)NCC(C)(C)N3CCCCC3)c(=O)oc2c1 22622627 GGRXHJOTEWNMTR-UHFFFAOYSA-N 384.520 3.723 0 40 GHAB O=C(NC1CC1)[C@@H](Nc1cccc(I)c1)c1ccccc1 12555684 QQYDFKYQKTVLAE-INIZCTEOSA-N 392.240 3.723 0 40 GHAB CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CS[C@@H]1c1ccc(Br)cc1 819033 QBUDEWVBCXLTHP-VXGBXAGGSA-N 388.283 3.885 0 40 GHAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1 835057 XIUOYOJHAZTGCT-UHFFFAOYSA-N 380.469 3.905 0 40 GHAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(Br)cc3)CC2)C1 819215 FKPSHCRYQCXQGT-OAHLLOKOSA-N 379.342 3.920 0 40 GHAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccccc1N1CCOCC1 23124977 LTSHHIWMVRKWPJ-UHFFFAOYSA-N 397.475 3.967 0 40 GHAB CCOc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3c3ccncc3)n2)cc1 12539870 RRKLWZUQZSXGHY-LJQANCHMSA-N 392.459 3.827 0 40 GHAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cc(Cl)ccc1N1CCCCC1)CS2 12521480 ZFOWJXWDAZUSBD-QFBILLFUSA-N 393.940 3.723 0 40 GHAB COC(=O)c1ccc(NCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1 1188515 RYVJBEYHVKQYQL-YBEGLDIGSA-N 386.404 3.718 0 40 GHAB CC(C)Cn1nc(C(=O)NCc2nc3ccccc3s2)c2ccccc2c1=O 43007712 FQMDIZIHXCINAJ-UHFFFAOYSA-N 392.484 3.592 0 40 GHAB COc1ccc2c(COC(=O)CCc3c[nH]c4ccccc34)cc(=O)oc2c1 8210200 DRKFALFPRHUUJL-UHFFFAOYSA-N 377.396 3.959 0 40 GHAB CC[C@@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccccc1 20036219 YQXDXCOBQGXSNE-HXUWFJFHSA-N 388.533 3.844 0 40 GHAB Cc1cnc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cn1 21963432 NJCMLIZWNRBIJS-UHFFFAOYSA-N 387.418 3.707 0 40 GHAB CC(=O)c1cccc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c1 3218181 XWEWMCBXHQCNKO-UHFFFAOYSA-N 379.334 3.632 0 40 GHAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCc3ccccc32)C1 55578657 FELDJVAPUQYRCB-QUCCMNQESA-N 377.488 3.687 0 40 GHAB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(C1CCCC1)CO3 57151861 MEHFXKSWGRLTRD-UHFFFAOYSA-N 391.851 3.565 0 40 GHAB CCN(C(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O)c1cccc(C)c1 57427452 JRNZRJFBFLZRRL-UHFFFAOYSA-N 375.472 3.889 0 40 GHAB COc1cc(NC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)cc(OC)c1 3274717 APKTYGXNFDUKSY-UHFFFAOYSA-N 398.242 3.735 0 40 GHAB O=C(Nc1cccc(NC(=O)c2ccccc2-n2cccn2)c1)c1cccnc1 44491783 FQWGOFHMENSXHI-UHFFFAOYSA-N 383.411 3.772 0 40 GHAB CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(Cn2cccn2)cc1 12626314 FFQRQOURDGCPOT-UHFFFAOYSA-N 377.488 3.924 0 40 GHAB COc1ccc([C@@H]2NC(=O)c3sc4nc(C)cc(C)c4c3N2)c(OC)c1OC 12608961 MAZDKIZANMOMOL-SFHVURJKSA-N 399.472 3.793 0 40 GHAB CN(S(=O)(=O)c1cccc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 3324770 QOLIXJGGWCMXBY-UHFFFAOYSA-N 395.889 3.503 0 40 GHAB CCOC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1nc(C)cc(C)n1 3305331 VGCGGHZKUZKADC-UHFFFAOYSA-N 387.443 3.979 0 40 GHAB C[C@@H]1c2ccsc2CCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 36391998 XZASYGMWRJYWAJ-MRXNPFEDSA-N 387.524 3.545 0 40 GHAB O=C(NCc1cc(Br)ccc1F)[C@H]1CCCN1Cc1ccccc1 69324659 BMNHZSGAHSGCMN-GOSISDBHSA-N 391.284 3.869 0 40 GHAB CN(Cc1cccs1)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 12802530 OITZDYOPCYLOTR-UHFFFAOYSA-N 380.469 3.929 0 40 GHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2)cc1 3452696 YXPGIQSWUGIRKY-UHFFFAOYSA-N 397.452 3.740 0 40 GHAB COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S@](=O)Cc2ccccc2)cn1 12952756 XNTUIWIKFGPDFS-ZXYASIKESA-N 385.272 3.624 0 40 GHAB CC(=O)N1C[C@H](C(=O)Nc2ccc(SC(F)F)cc2)Oc2ccccc21 12928262 UADHVKIWJNQDKV-MRXNPFEDSA-N 378.400 3.754 0 40 GHAB CCOc1ccc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 12993492 XVBPDDPLFUWKNG-UHFFFAOYSA-N 393.443 3.899 0 40 GHAB C[C@@H](OC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C(=O)c1c[nH]c2ccccc12 12962584 GFBANHCFTXFABW-GFCCVEGCSA-N 399.830 3.950 0 40 GHAB Cc1cc(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)[nH]c2c1 12910044 NTJRQNOMNFHMRF-ZDUSSCGKSA-N 380.400 3.697 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)no1 3587592 VZONUEPZJIJIDO-UHFFFAOYSA-N 387.395 3.994 0 40 GHAB O=C(CCNC(=O)c1ccccc1Cl)N[C@@H]1CCSc2ccc(F)cc21 13011756 GFCBTZHVAYGBDB-MRXNPFEDSA-N 392.883 3.952 0 40 GHAB CCOc1ccc([C@@]2(O)C[N+]3=C(CCCCC3)N2c2ccc(OC)cc2)cc1 13510440 JSRDODSZELYCPC-QHCPKHFHSA-N 381.496 3.744 0 40 GHAB CCCc1nnc(NC(=O)CCC(=O)Nc2cccc(Br)c2)s1 17206333 QEIGUIVUDDOPKC-UHFFFAOYSA-N 397.298 3.611 0 40 GHAB CC[C@@H](C(=O)OCc1nc(-c2ccc(OC)c(OC)c2)no1)c1ccccc1 8513599 VQFLREPTSUCAJD-MRXNPFEDSA-N 382.416 3.991 0 40 GHAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(-n2cccn2)cc1 28244884 OSSCRRVXQXDWRL-UHFFFAOYSA-N 375.354 3.604 0 40 GHAB O=C(NC1CCCCCCC1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944959 DIOKIQLGVYFFET-QGZVFWFLSA-N 399.510 3.927 0 40 GHAB CCCn1c(SCC(=O)c2ccc(OC)cc2OC)nnc1-c1ccncc1 5430412 OYEPQHZQZIAZTM-UHFFFAOYSA-N 398.488 3.742 0 40 GHAB Cc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCO)cc1 6743217 JSPODLAHOHYBIS-JOCHJYFZSA-N 391.471 3.635 0 40 GHAB CCOc1cc(-c2nnc(SCCN(C)C)o2)cc(OCC)c1OCC 6942261 MHQKPOGCQDZVSZ-UHFFFAOYSA-N 381.498 3.586 0 40 GHAB Cc1ccc(C)c(NC(=O)CN2CCc3nc4c(F)ccc(F)c4c(O)c3C2)c1 67349856 WREXGBIBTHNYJG-UHFFFAOYSA-N 397.425 3.832 0 40 GHAB CC1=CC(=O)N2C(=NC(Nc3ccc(C)cc3C)=N[C@@H]2c2ccc(F)cc2)N1 8741129 BBTWRJXZHONWPO-IBGZPJMESA-N 377.423 3.614 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 16104387 GGLQAPRONQKVFI-MRXNPFEDSA-N 386.354 3.911 0 40 GHAB CCOC(=O)c1c(C)nc2nc(SCc3ccc(Cl)cc3)nn2c1C 9135002 OLLIRJGKRCWERI-UHFFFAOYSA-N 376.869 3.864 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2nn(CC)c(=O)c3ccccc23)cc1 19717045 MEHHBBVEEZKINN-FQEVSTJZSA-N 391.471 3.792 0 40 GHAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1C(=O)c1ccccc1 9576356 LQEKREOBRWQAPO-UHFFFAOYSA-N 387.435 3.661 0 40 GHAB CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](CC)c2nnc3n2CCCCC3)c1 72314301 PGHVWKJVXXRVIY-INIZCTEOSA-N 398.511 3.934 0 40 GHAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1Cc1ccccc1 27976130 OOPKJTUIBMNMQV-KRWDZBQOSA-N 399.454 3.659 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)c1 95431422 XIYJQVFUXOUDOY-AOMKIAJQSA-N 394.471 3.592 0 40 GHAB O=C(NCCCOc1cccc2cccnc12)C1=CCN(Cc2ccccc2)C1 79050960 UCSYFLBBWGLVJD-UHFFFAOYSA-N 387.483 3.562 0 40 GHAB COC(=O)c1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3-c2ccccn2)cc1 79495431 IKWUTZADATUJLS-SFHVURJKSA-N 394.456 3.787 0 40 GHAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCc1ccco1)C(=O)OC2 62001544 IGTDCAPKTHFAPK-AWNIVKPZSA-N 399.443 3.558 0 40 GHAB biogenic Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)n1 30871827 VOHSZEQSAUHNMW-HXUWFJFHSA-N 389.455 3.866 0 40 GHAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72345989 TZJYCNCCVIQKHC-GOSISDBHSA-N 390.462 3.814 0 40 GHAB CC1CCN(Cc2ccc(CNC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)CC1 36394536 JEPJIGYSGDYUCH-VQHVLOKHSA-N 392.499 3.977 0 40 GHAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1ccc2c(c1)CCCC2 70636139 OMHVPXJNAJQVQX-JOCHJYFZSA-N 381.497 3.731 0 40 GHAB C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 31860873 HUHDVMDXIICRPL-ZKCQSVRFSA-N 381.428 3.726 0 40 GHAB O=C(Nc1ccc(I)cc1)c1ccc(F)c(F)c1F 28210593 NQAKTVWKGIACOK-UHFFFAOYSA-N 377.103 3.961 0 40 GHAB CC[C@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 216285292 UXJBXCSFXZIRFT-KSSFIOAISA-N 394.924 3.762 0 40 GHAB COc1ccc(-c2noc(CNC(=S)Nc3ccc(F)cc3F)n2)cc1 225823911 OQBIMTLWJOUVBW-UHFFFAOYSA-N 376.388 3.510 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1cc(C)ccc1C 225063572 SZFPGLRPAAHCDC-FQEVSTJZSA-N 396.531 3.668 0 40 GHAB CCN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(Br)c1 224873079 OTCLUHCBDBQCMG-UHFFFAOYSA-N 384.295 3.981 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 225043550 LUVXUSAROLZJPT-MOPGFXCFSA-N 396.531 3.878 0 40 GHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 223630701 BZLZPBWFDNFPQH-NRFANRHFSA-N 396.531 3.960 0 40 GHAB Cn1nc(C2CC2)nc1Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O 570631248 KXXKJZISJRLXAN-UHFFFAOYSA-N 397.891 3.833 0 40 GHAB Cc1oc(-c2ccccc2)nc1CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 40040172 CCXZBOUAOFSIBL-OAQYLSRUSA-N 397.381 3.895 0 40 GHAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 223837867 OTHAQILHAJYDIF-WOJBJXKFSA-N 378.501 3.996 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 98211761 METYBYLKEBAHDE-UHFFFAOYSA-N 398.869 3.761 0 40 GHAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4ccccn4)C3)o2)cc1 257255512 KHTVAEZHLZHIEP-QGZVFWFLSA-N 377.444 3.689 0 40 GHAB Cc1cccc(C(=O)N2CCO[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)n1 257245698 IQQVWFWAKYIYNX-LJQANCHMSA-N 397.862 3.836 0 40 GHAB Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)N1CCC(C)(C)c2ccccc21 585085196 RKFRALMHFLJODA-UHFFFAOYSA-N 378.476 3.548 0 40 GHAB Cc1nc(-c2cccc(C(=O)O)c2)cc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257291050 QFJLOVUATMBLLK-QGZVFWFLSA-N 381.476 3.902 0 40 GHAB O=C(NCCc1ccc2c[nH]nc2c1)c1ccc(-n2cnc3ccccc32)cc1 671880251 ARDMAPRQFVIYCJ-UHFFFAOYSA-N 381.439 3.874 0 40 GHAB Cn1cc(-c2nc(C(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)cs2)cn1 675820653 PKFVDKHUDQLGKT-CQSZACIVSA-N 386.452 3.715 0 40 GHAB O=C(NCc1cc(-c2ccccc2)on1)NC[C@@H]1CCCN1Cc1ccccc1 604110762 XPCWRPGBVWVHEG-NRFANRHFSA-N 390.487 3.805 0 40 GHAB O=C(c1ccc2[nH]cnc2c1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96102813 ABPBDLQCOXLBPS-UHFFFAOYSA-N 379.445 3.694 0 40 GHAB COc1cc(NC(=O)c2c3c(nc4ccccc24)CCC3)ccc1NC(C)=O 44773342 YLSTUXMCHLLJPP-UHFFFAOYSA-N 375.428 3.943 0 40 GHAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC2(CCOCC2)CC1 671187355 UQADDUJGNCWHTH-UHFFFAOYSA-N 397.846 3.940 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 5864876 CWYSJRSURRBYED-UHFFFAOYSA-N 397.456 3.953 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)c1cc(=O)c(OCc2ccccc2)co1 11856619 YDNXJHISNRSJOD-UHFFFAOYSA-N 388.423 3.673 0 40 GHAB COc1ccc2nc(CN3CCC[C@H](n4c(=O)oc5ccccc54)C3)ccc2c1 12089318 JSMMXHSDFSRFGA-SFHVURJKSA-N 389.455 3.988 0 40 GHAB O=C(c1cccs1)N1CCC(Cn2nc(-c3cccs3)ccc2=O)CC1 12158110 FTMUMPISSPYTKD-UHFFFAOYSA-N 385.514 3.586 0 40 GHAB Cc1nc(-c2ccccc2F)sc1C(=O)N1CCN(c2ccccn2)CC1 12391805 PTSRSZWANZIJFV-UHFFFAOYSA-N 382.464 3.615 0 40 GHAB Cc1csc(N(C(=O)c2cccc(CS(C)(=O)=O)c2)c2ccccc2)n1 13015542 OXKVLUKMGCBMSL-UHFFFAOYSA-N 386.498 3.975 0 40 GHAB CCCCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1CCOC 13691376 SDJUHCDLZXTIPN-UHFFFAOYSA-N 392.521 3.713 0 40 GHAB O=C(NCCN(Cc1ccccn1)Cc1c(F)cccc1F)c1cccs1 13991095 IZNRMNWFQILCLA-UHFFFAOYSA-N 387.455 3.854 0 40 GHAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)oc2c(Cl)cccc12 15323581 PKTTZHDQOWBIIE-UHFFFAOYSA-N 392.864 3.897 0 40 GHAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)[C@H]1CC=CCC1)Cc1ccccc1O2 19016310 PJEYLJGXOKZTFR-RNQSCQIESA-N 396.531 3.924 0 40 GHAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1)C1CC1 19400673 UXKVFKQCAIBIIK-DYESRHJHSA-N 385.458 3.839 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C3CCN(CC)CC3)cc2n1 19522326 PYAUCOOZRYPAFA-KRWDZBQOSA-N 395.473 3.932 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H]2COc3c(cccc3OC)C2)c1 19551286 GJTAGXHMZLNBFS-VQIMIIECSA-N 397.471 3.627 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)Cc1ccc2c(c1)C[C@H](C)O2 19578410 QEWLRGSVUZLALU-AWEZNQCLSA-N 393.462 3.811 0 40 GHAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)C(C)C)nc1C 19755625 ZJYXVDXIXKXOGH-GOSISDBHSA-N 396.491 3.756 0 40 GHAB Cc1cc(C)cc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 19947302 IPOWUSBFVWYDMD-UHFFFAOYSA-N 386.517 3.558 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1cnc2onc(C)c2c1 505866170 MOUFPHPDXVJTRY-SFHVURJKSA-N 380.448 3.623 0 40 GHAB O=C1NCCN(Cc2ccc(F)cc2)C[C@@H]1Cc1ccccc1-c1cccnc1 19348577 SELNJANHQADZCS-NRFANRHFSA-N 389.474 3.678 0 40 GHAB N#Cc1cccc(C(=O)N(CCn2ccc(C(F)(F)F)n2)C2CCCC2)c1 390829142 CZDAPYLLOQXRKR-UHFFFAOYSA-N 376.382 3.859 0 40 GHAB CCCN(CCC)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 4950317 PIPLLOPXAXUCRK-IRXDYDNUSA-N 380.554 3.615 0 40 GHAB CC(C)N(C(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(C)C 7065520 UEHVSASBVKHNAY-GFCCVEGCSA-N 393.578 3.989 0 40 GHAB C[C@@H](C(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1)n1cccn1 2087044657 BXYSHUIPOVPJTG-HNNXBMFYSA-N 375.476 3.671 0 40 GHAB Cc1nc2ccc3nc(NC(=O)[C@@H]4COc5ccccc5O4)sc3c2s1 4088369 JWOVQAXAQISGEQ-AWEZNQCLSA-N 383.454 3.993 0 40 GHAB O=C1C[C@@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 4142424 XVNWHYCHGXRDLO-VDHUWJSZSA-N 385.341 3.665 0 40 GHAB CCOc1ccccc1-n1nnc(-c2nc(-c3ccc(Cl)cc3)no2)c1N 4313518 HMLOPDLUISBFDV-UHFFFAOYSA-N 382.811 3.619 0 40 GHAB CCOC(=O)[C@@H](CC)Sc1nnc(NC(=O)Nc2ccc(F)cc2)s1 4851283 UZXOROIRNSPOIF-LLVKDONJSA-N 384.458 3.755 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1-n1cccc1 5242320 KDRBVGZPORMXLF-UHFFFAOYSA-N 393.472 3.999 0 40 GHAB Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)cc1Cl 9321001 OGKATRPGFGWLNO-UHFFFAOYSA-N 392.846 3.764 0 40 GHAB Cc1ccccc1OCC(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 13716753 VCFNWQGXIZJYMH-UHFFFAOYSA-N 394.496 3.933 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907176 RMAZCXLYBWBLDQ-NRFANRHFSA-N 396.512 3.666 0 40 GHAB COc1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1OC 38677357 WOHWNJZVAFSGES-INIZCTEOSA-N 377.872 3.782 0 40 GHAB O=C(CSCc1ccccc1)NCc1nc(C2CCC(F)(F)CC2)no1 575617716 WDVNWTYQZQFQPY-UHFFFAOYSA-N 381.448 3.912 0 40 GHAB Cc1cccc(NC(=O)[C@H]2C(=O)N[C@]34CCCC[C@@H]3[C@H]2c2ccccc2O4)c1 4030010 SPSIPKWKABOJQM-DBBLALLESA-N 376.456 3.742 0 40 GHAB biogenic C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C)c1cccc(Br)c1 40074060 OCJZRDOBAIBFOD-WFASDCNBSA-N 381.314 3.663 0 40 GHAB Cc1ccccc1CS(=O)(=O)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 40121875 UVPOEEZNKBVLQU-SFHVURJKSA-N 385.529 3.737 0 40 GHAB CC(=O)Nc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1cccs1 7895636 OZUUZTHPANSUSU-OAQYLSRUSA-N 380.469 3.991 0 40 GHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(Cl)ccc2C)cc1 976028 AUTHGPOWEZNMCW-SFHVURJKSA-N 385.851 3.924 0 40 GHAB CCOC(=O)c1c(NC(=O)CSc2nc(C3CC3)n[nH]2)sc(C)c1CC 11471350 OJVDCNVHAOILKL-UHFFFAOYSA-N 394.522 3.522 0 40 GHAB Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)cc1 1363297 RPGQKYLUSQZYAI-KRWDZBQOSA-N 383.473 3.613 0 40 GHAB CCC(=O)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2n2nnnc12 1367399 JGDXRJJVGWTTTF-UHFFFAOYSA-N 391.450 3.972 0 40 GHAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)cc1 1378488 WPEFRXDTJUANAO-LJQANCHMSA-N 398.532 3.641 0 40 GHAB CC1=C(C(=O)N(C)C)[C@@H](c2ccccc2F)NC(=S)N1Cc1ccccc1 3435250 GOBYDFSKASFFIU-LJQANCHMSA-N 383.492 3.619 0 40 GHAB COc1cc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cc(OC)c1OC 32073645 JWWCMHMXRRBOJH-UHFFFAOYSA-N 380.444 3.999 0 40 GHAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)c2cccs2)CC1=O 7881511 GPUCAGGFHXYKMU-MRXNPFEDSA-N 385.485 3.652 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)cc1 7881910 HNOKSFPHEVEYBA-SFHVURJKSA-N 394.471 3.807 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)Nc3cccc(OC4CCCC4)c3)cnc12 29378745 LICXBSCAPHMGRW-UHFFFAOYSA-N 377.444 3.665 0 40 GHAB O=C1Nc2cc(F)ccc2[C@]12CC(O)=Nc1c2cnn1-c1cccc(Cl)c1 20726879 VTWSVTBFZCWFNU-IBGZPJMESA-N 382.782 3.895 0 40 GHAB CCNc1c(NC(=O)Nc2ccc3c(c2)OCCO3)c(=O)oc2ccccc12 101096658 OOLRLHGNTYLATD-UHFFFAOYSA-N 381.388 3.640 0 40 GHAB COC(=O)c1cc(NC(=O)COC(=O)c2ccccc2Cl)ccc1Cl 8092189 LUSZSOTVUBSRSW-UHFFFAOYSA-N 382.199 3.576 0 40 GHAB CCN(CC)C(=O)[C@@H](Sc1nnnn1-c1cccc(F)c1)c1ccccc1 8401286 WHTHYIOJHQHAAI-KRWDZBQOSA-N 385.468 3.503 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1F)c1ccccc1F 8810625 RULSOLWNNAIFQZ-UHFFFAOYSA-N 394.443 3.828 0 40 GHAB COC(=O)c1cc(CNC(=O)c2ccccc2SC(F)F)ccc1OC 32675679 BZMUOMYMNPGRKM-UHFFFAOYSA-N 381.400 3.727 0 40 GHAB CC(C)Oc1cccc(CNS(=O)(=O)Cc2ccc(Br)cc2)c1 10543859 ZPWOUQHDRJXTFP-UHFFFAOYSA-N 398.322 3.856 0 40 GHAB Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)O)n(C)c3)cc2)cc1 32765614 MHDNYQQKFPXSDD-UHFFFAOYSA-N 386.429 3.625 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9313696 RCPUTPLWFLADRY-UHFFFAOYSA-N 399.878 3.534 0 40 GHAB Cc1ccccc1Cn1cnc(NS(=O)(=O)c2ccc3ccccc3c2)n1 2777972 DOAHBMACKZNMNZ-UHFFFAOYSA-N 378.457 3.589 0 40 GHAB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1cccc(C(F)(F)F)c1 12324477 QFXNRPAZPAFTTC-UHFFFAOYSA-N 391.378 3.960 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccco1 803259 OBXQETUFCMEOQY-UHFFFAOYSA-N 376.821 3.986 0 40 GHAB Cc1nc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)sc1-c1ccccn1 12517415 IOPXMEMRNUVIET-HXUWFJFHSA-N 379.441 3.624 0 40 GHAB NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNCC2=CCCOC2)CC1 100688388 NUWIPJZIJRKMST-FZNQNYSPSA-N 385.533 3.605 0 40 GHAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1C 3135955 LVUPLCNWJHESQS-UHFFFAOYSA-N 377.466 3.611 0 40 GHAB CNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccccc1C 8090908 GWPNKUQZPWQPJP-UHFFFAOYSA-N 377.473 3.562 0 40 GHAB O=C(COc1ccc(Cl)cc1)NCc1cc(-c2ccc(F)cc2F)on1 22768448 FUBIRXRUPCFVCZ-UHFFFAOYSA-N 378.762 3.968 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)N(C)CC(=O)Nc2cccc(F)c2)n1 44208608 LYDWOCKPIMRTCH-UHFFFAOYSA-N 395.438 3.731 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H](Sc1nnc(N)s1)c1ccccc1 3358593 OJIROHUDQXJHKT-HNNXBMFYSA-N 386.502 3.991 0 40 GHAB Cc1cc(=O)n(CC(=O)N(C)c2cccc(Cl)c2)c(-c2ccc(F)cc2)n1 57522304 OOZQCUGGHHCLNB-UHFFFAOYSA-N 385.826 3.674 0 40 GHAB Cc1ccc([C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)c2cccs2)cc1 12708756 JZNZYDMXSGDBPM-LJQANCHMSA-N 385.510 3.979 0 40 GHAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N(C)Cc1ccccc1N1CCOCC1 58170554 VQKBEXTYNYDFHJ-KRWDZBQOSA-N 377.488 3.708 0 40 GHAB Cc1sc(NC(=O)C(C)(C)C)c(C(=O)O[C@H](C(N)=O)c2ccccc2)c1C 10373468 YICSVSXAQCGGDK-HNNXBMFYSA-N 388.489 3.733 0 40 GHAB CC(=O)Nc1nc(COC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cs1 27982071 LVGGSHLHYLUMPN-UHFFFAOYSA-N 391.449 3.806 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)COC(=O)/C=C/c1cccc2cccnc12 12824229 CIGGBDYRTVSXPX-DBTPVHCXSA-N 390.439 3.677 0 40 GHAB Cc1cc(OCC(=O)OCC(=O)N[C@H](C)CCc2ccccc2)ccc1Cl 3487533 GKADWKPDKNFSBD-MRXNPFEDSA-N 389.879 3.708 0 40 GHAB Cc1nc(-c2ccc(CCNC(=O)[C@H]3Cc4ccccc4C(=O)O3)cc2)cs1 12903357 CQRJYRUDPVLBPQ-HXUWFJFHSA-N 392.480 3.559 0 40 GHAB CN(CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)C(=O)c1ccco1 12983697 VSYVENIARYFYIE-UHFFFAOYSA-N 382.391 3.599 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)c2cc3cnn(C(C)C)c3nc2C)c(C)c1 12995821 JRGZGMHVQMXNOU-UHFFFAOYSA-N 393.491 3.614 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)Nc3ccccc3)CC2)cc1F 12981769 CVKUCIZRZWMEFI-INIZCTEOSA-N 383.467 3.812 0 40 GHAB CCN1CCn2c(nc3cc(NC(=O)COc4ccccc4Cl)ccc32)C1 13692124 DHAHCKKUAISYRF-UHFFFAOYSA-N 384.867 3.543 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ncnc3sccc23)c1C 6115593 YUXHGCCIDYOSOU-JTQLQIEISA-N 375.475 3.786 0 40 GHAB CCOC(=O)c1cc(NC(=O)c2ccc(F)cc2F)cc(C(=O)OCC)c1 6258429 VCWOPZSQTNZMDL-UHFFFAOYSA-N 377.343 3.571 0 40 GHAB C[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccc(Cl)cc1Cl 14111741 XNXXCJCXGZGPIQ-NSHDSACASA-N 378.259 3.524 0 40 GHAB COCCCn1c(SCc2cc(C)no2)nc2sc3c(c2c1=O)CCC3 14198651 WYMSZDZJXHKCPF-UHFFFAOYSA-N 391.518 3.572 0 40 GHAB CN(C)c1ccc(NC(=S)NNC(=S)Nc2ccc(Cl)cc2)cc1 4675053 SJNHIFDGFJQIBB-UHFFFAOYSA-N 379.942 3.594 0 40 GHAB CCCCCOc1c(OC)cccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 4616488 UTMWCQXSRCBRCX-QGZVFWFLSA-N 392.521 3.620 0 40 GHAB COc1cccc(CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)c1 6638789 FWHCGIQKWXXJQO-SFHVURJKSA-N 379.243 3.969 0 40 GHAB Cc1cccc2nc(C(=O)Nc3nc(-c4ccc5c(c4)OCCO5)cs3)cn12 14583309 BTFHEVIBNVGKLB-UHFFFAOYSA-N 392.440 3.790 0 40 GHAB CCc1ccc(Cl)c(CC)c1NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 14664207 CPMXZLRHGOTGOQ-HUUCEWRRSA-N 376.884 3.579 0 40 GHAB O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccnc(C2CC2)n1 69698150 VJQPVQNOFGYGIM-UHFFFAOYSA-N 393.834 3.907 0 40 GHAB CCOc1ccc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 5992901 FALGZMSFASUCRZ-UHFFFAOYSA-N 376.338 3.641 0 40 GHAB COc1ccccc1-c1noc(COC(=O)Cc2c(F)cccc2Cl)n1 7123189 POECQNGWYNLDDW-UHFFFAOYSA-N 376.771 3.824 0 40 GHAB C[C@H](Sc1ncccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 8705708 BYMAJYJBUUWELH-ZDUSSCGKSA-N 377.897 3.691 0 40 GHAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(N2CCCC2=O)cc1 7727052 NCDDDZVUGLAUJQ-UHFFFAOYSA-N 393.443 3.640 0 40 GHAB CCc1noc(C)c1C(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1 7736620 RVJOQJXXSLVIGO-UHFFFAOYSA-N 399.472 3.849 0 40 GHAB O=C(CCCNC(=O)c1ccc(Cl)cc1)OCc1cc(-c2ccco2)on1 18276369 LHLGPYNQDBQEAP-UHFFFAOYSA-N 388.807 3.841 0 40 GHAB COc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1cccc(C)c1 409221564 SBHHMBWTTKAJAQ-UHFFFAOYSA-N 384.501 3.792 0 40 GHAB C[C@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 9367051 JNMSKOUQRFVSCJ-AWEZNQCLSA-N 381.457 3.779 0 40 GHAB Cc1c(Cl)ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1Cl 19830996 WGZBAAMEJRNDSO-UHFFFAOYSA-N 399.343 3.808 0 40 GHAB Cc1ccc(C(C)(C)CN(C)C(=O)NC[C@H]2CCCN(c3ncccn3)C2)cc1 94060636 YLBUKJHKLKYADG-LJQANCHMSA-N 395.551 3.621 0 40 GHAB COc1ccc(CCNC(=O)[C@@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1 25214031 MXDSPPNXRZYBAZ-CYBMUJFWSA-N 382.382 3.753 0 40 GHAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)c1ccc2c(c1)OCCCO2 9593253 KIPBPVLRBZUBKU-UHFFFAOYSA-N 385.420 3.747 0 40 GHAB CC(=O)c1c(C)cc(C)c(C[S@](=O)[C@H](C)C(=O)N2CCCCCC2)c1C 75472134 XQQLLBLYJMZRAQ-WXTAPIANSA-N 377.550 3.854 0 40 GHAB Cc1cc(=O)c(O)c(C(c2oc(C)cc(=O)c2O)c2c(F)cccc2Cl)o1 95472463 CIJYQSYJCFXUIB-UHFFFAOYSA-N 392.766 3.594 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(Cl)c2c(c1)OCO2 24227087 BTOKZBRQPKFKAL-UHFFFAOYSA-N 383.835 3.586 0 40 GHAB CC(C)c1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 20450743 XMJKTIMBTYQSEA-HNNXBMFYSA-N 392.496 3.593 0 40 GHAB COc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)cc1 306137612 RBJPBJMLFJDUNP-HSZRJFAPSA-N 393.462 3.873 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCCCC3)C2)cc1 302766667 IZVOJWUAMCBMDC-GOSISDBHSA-N 392.565 3.625 0 40 GHAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 533478939 SGHLKQBABWSGAX-MRXNPFEDSA-N 392.478 3.838 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 39757235 AGIRWLIDZJCBKE-UHFFFAOYSA-N 397.494 3.816 0 40 GHAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2Br)N1 36025434 QXOOUBWXLCUYFT-IAGOWNOFSA-N 385.261 3.707 0 40 GHAB biogenic C[C@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)(C)C)c1ccccc1 217434058 UHPVJTRSUHFGDB-ZDUSSCGKSA-N 376.478 3.635 0 40 GHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 32508827 JEONZYAISDPJTI-HZPDHXFCSA-N 393.365 3.556 0 40 GHAB Cc1cc(Nc2nc(C)cs2)cc([C@H]2CCCN2C(=O)c2cn(C)nc2C)n1 72372579 ZVDLPKDZZKPSSS-GOSISDBHSA-N 396.520 3.918 0 40 GHAB CCOC[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 218512759 VUMLLWYHCNZSSR-UFYCRDLUSA-N 393.936 3.570 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1cccc(OC)c1 219308754 YUZGBYLYOJVXNV-ZDUSSCGKSA-N 387.461 3.623 0 40 GHAB O=C(c1cccnc1)N1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 72362086 UMOBMLSJGHELJX-MRXNPFEDSA-N 378.407 3.823 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)c(C)c1C 223738143 FCCFSZHXMLKNJA-UHFFFAOYSA-N 391.533 3.967 0 40 GHAB Cc1cccc(OCC(=O)Nc2nn3c(-c4ccc(C)c(F)c4)nnc3s2)c1 41108770 ACRYHMYWWYFHER-UHFFFAOYSA-N 397.435 3.626 0 40 GHAB COc1ccc(CNC(=O)CSCc2cccc(C)c2)c(OC)c1OC 45202483 IHQCFZSYXXIRIK-UHFFFAOYSA-N 375.490 3.570 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nccc(N2CCCCC2)n1 224161085 IQVRHUQJHZKNSU-UHFFFAOYSA-N 388.899 3.594 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccccc1CN1CCCC1 224791282 UEGAPEGTIOLYNG-HXUWFJFHSA-N 382.504 3.765 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 224878645 DOTRBGDUSAFSGD-JOCHJYFZSA-N 396.531 3.817 0 40 GHAB COc1ccc2[nH]cc(CCNC(=O)c3cccc(Nc4ncccn4)c3)c2c1 85879798 DVCXFMHFACZPNM-UHFFFAOYSA-N 387.443 3.683 0 40 GHAB biogenic O=C(c1cccs1)N1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 49171040 RXQTVRRFHDZGQS-ZDUSSCGKSA-N 378.457 3.833 0 40 GHAB biogenic,in-vitro C[C@@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 225602728 GNVRMIGPZBDORS-LBPRGKRZSA-N 385.407 3.550 0 40 GHAB CCOc1ccc(-c2noc(CNC(=O)c3ccc4c(c3)CCCC4)n2)cc1 225635808 MUHZKILLGCQMRB-UHFFFAOYSA-N 377.444 3.944 0 40 GHAB CCOc1ccc(-c2noc(CN(C)C(=O)Nc3cccc(OC)c3)n2)cc1 225764893 PAQPLDMEMADBRA-UHFFFAOYSA-N 382.420 3.808 0 40 GHAB Cc1ccc(C)c(OCCNC(=O)COc2ccc(Br)c(C)c2)c1 224015348 YLFXZOWYNAXVDF-UHFFFAOYSA-N 392.293 3.948 0 40 GHAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1nnc([C@@H]2CCCO2)s1 49548912 IBXZYNNRAIKRPJ-LBPRGKRZSA-N 389.506 3.842 0 40 GHAB CCc1ccccc1NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225950677 ZSJFNACFLJFDGT-KRWDZBQOSA-N 380.897 3.522 0 40 GHAB O=C(NCc1ccnc(N2CCCCC2)n1)C(c1ccccc1)c1ccccc1 224208536 MQXWCCFWMHVEPF-UHFFFAOYSA-N 386.499 3.915 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 223545492 BEDITKCZMRIUMP-SFHVURJKSA-N 396.531 3.916 0 40 GHAB Cc1cc(C)cc(CSCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 223839334 SZNKIEBSYVJWSN-INIZCTEOSA-N 391.558 3.818 0 40 GHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(C)c2)c(C)c1 224658668 MOMSNJFYYQVTOJ-UHFFFAOYSA-N 391.489 3.704 0 40 GHAB CC(C)Oc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1 244272077 WOYUIIIRARSHHK-INIZCTEOSA-N 386.879 3.797 0 40 GHAB CC(C)Cn1ccc2c(NC(=O)C[C@H](c3ccsc3)n3cnnn3)cccc21 524735408 AWIAOLULTBOBHP-LJQANCHMSA-N 394.504 3.964 0 40 GHAB C[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)c2ccccn2)C1 257222650 DUELNBZMNHLYIQ-QFIPXVFZSA-N 379.435 3.993 0 40 GHAB CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2ncc3c(F)cccn23)cc1 527993710 IUMOLIRFMPLURS-CQSZACIVSA-N 397.454 3.838 0 40 GHAB COc1cccc(CC(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C)nn43)CC2)c1 257263109 LOLCAFCQCDFKKM-UAPYVXQJSA-N 392.503 3.679 0 40 GHAB O=C(O)[C@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc2nc(C(F)F)[nH]c2c1 621588388 WYOAXGQOUDBYRP-JKSUJKDBSA-N 385.370 3.931 0 40 GHAB O=C(NCCc1cnc(C2CC2)nc1)N1CC[C@@]2(c3ccccc3)[C@@H](C1)C2(F)F 606444769 LPIRXRYBXYWDKA-WIYYLYMNSA-N 398.457 3.515 0 40 GHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)cc1 96119037 HBGXKEUFBRGPFP-OAHLLOKOSA-N 396.472 3.776 0 40 GHAB Fc1ccc(N2CC[C@@H](CNc3ccc4nnc(-c5ccccc5)n4n3)C2)cc1 57151477 BSWRNNFKUCNLFE-INIZCTEOSA-N 388.450 3.869 0 40 GHAB Cc1cccc(OC2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)n1 96119539 NNOJNPSXKPCKDV-UHFFFAOYSA-N 380.488 3.508 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O 5305220 LIOSGBZNDWUZKO-YWZLYKJASA-N 393.462 3.892 0 40 GHAB Fc1ccc(OCCNc2ncc(-c3cnccn3)c(-c3ccco3)n2)cc1 12184678 ZJTYSKYMZRLLND-UHFFFAOYSA-N 377.379 3.824 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)OCc3cc(-c4cccs4)on3)CC2=O)cc1 12727095 SYALYIVZWPJVMS-AWEZNQCLSA-N 382.441 3.808 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(OC)c(Cl)c3)n2)cc1 14283628 CYGDOKUALOWXJC-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB Cc1ccccc1[C@@H]1CN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)C[C@H]1c1csnn1 19237417 WDZDTILSWMYKDN-YAJHFMINSA-N 398.576 3.534 0 40 GHAB Cn1ccnc1C1(O)[C@H]2CCC[C@@H]1CN(Cc1cccc(OC3CCCC3)c1)C2 19291396 RVWOYEDKEBVXTC-VXMMSVGHSA-N 395.547 3.861 0 40 GHAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)[C@@H]4CCCO4)CC3)noc2n1 19522041 GELIDBQDPLLOGW-AWEZNQCLSA-N 397.397 3.689 0 40 GHAB Cc1noc(CCC(=O)N2CCC(c3ccc(Cc4ccccc4)cn3)CC2)n1 19690391 ZZEIKVOGZFGAGN-UHFFFAOYSA-N 390.487 3.703 0 40 GHAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2Cc1ccc(Oc2ncccn2)cc1 19712339 VAWNWHAWIVGLSL-LEWJYISDSA-N 380.492 3.634 0 40 GHAB O=C(NCC[C@@H]1CCCCN1C(=O)c1ccc2nsnc2c1)c1ccccc1 19748934 TVNNMAWEPDRXJT-KRWDZBQOSA-N 394.500 3.506 0 40 GHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1cc(F)ccc1F 19937745 XYWDOONLQOPMET-UHFFFAOYSA-N 375.762 3.550 0 40 GHAB Cc1c(C(=O)NCc2ccccc2CN2CCOCC2)oc2c(F)cccc12 21637277 QIOGQQMFJZTDOG-UHFFFAOYSA-N 382.435 3.643 0 40 GHAB COc1cccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)c1 1776008389 FRTZEHHQNMNTNL-GJZGRUSLSA-N 390.281 3.663 0 40 GHAB CC(C)N1Cc2ccccc2CC2(CCN(C(=O)CC(F)(F)F)CC2)C1=O 1565551972 VMNQWIPTKMVRQC-UHFFFAOYSA-N 382.426 3.541 0 40 GHAB Cc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)c(C(=O)c2ccccc2)c1 4517732 RYGNQWLYDPBWGJ-UHFFFAOYSA-N 393.464 3.882 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)ccc1F 5136621 AZKLIBLBFULQGJ-UHFFFAOYSA-N 390.480 3.870 0 40 GHAB CN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21 9165483 QKTBRVFAWRILAY-UHFFFAOYSA-N 394.880 3.522 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1cncc(Br)c1 1775967644 ZJEWVSMMIZYJRK-GFCCVEGCSA-N 393.262 3.629 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1cc2ccccc2oc1=O 1775976722 DVEXARAERWZAOC-GOSISDBHSA-N 391.448 3.985 0 40 GHAB O=C(CSc1nc2ccccc2o1)N1CC[C@@H](Oc2ccncc2Cl)C1 575610336 JWMNOCFXUIRWCM-GFCCVEGCSA-N 389.864 3.648 0 40 GHAB COc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1OC 12232618 YRTNENONPDKXJV-UHFFFAOYSA-N 382.441 3.784 0 40 GHAB Cc1nn(CC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c(C)c1Cl 40150391 BOSHVXMTTYUVIO-GOSISDBHSA-N 397.910 3.592 0 40 GHAB O=C(Nc1cc(Cl)ccc1O)C(=O)NC(c1ccccc1)c1ccccc1 40286189 JTTDUAYZXSOUQS-UHFFFAOYSA-N 380.831 3.890 0 40 GHAB COc1ccccc1NC(=O)CN1CCN(Cc2cccc3ccccc23)CC1 20274964 KVSXOLIERGPJNY-UHFFFAOYSA-N 389.499 3.605 0 40 GHAB CC1(C)Cc2c(sc3ncn4nc(-c5ccccc5C(=O)O)nc4c23)CO1 2432334 XPPWDEOFZZJEOD-UHFFFAOYSA-N 380.429 3.556 0 40 GHAB Cc1ccc(-n2ncc3c2ncn2nc(-c4cc(O)cc(O)c4)nc32)cc1Cl 2400275 YSJDBVUGAPAVKD-UHFFFAOYSA-N 392.806 3.503 0 40 GHAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(NC(C)=O)cc3)c(=O)oc2c1 900882 PGMQMKZTUDGFTL-UHFFFAOYSA-N 393.443 3.850 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 3386703 QQDUHEMQYIWPKP-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccc(C)o1 29271659 WAHYRTZJTRWBLY-QGZVFWFLSA-N 394.924 3.752 0 40 GHAB CCOc1cccc(CNC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)c1 51317785 CWDXTCYCZUEQKQ-UHFFFAOYSA-N 384.867 3.866 0 40 GHAB Cc1cc(C)c(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c(C)c1 7375762 INMJEDQTTIOUMP-UHFFFAOYSA-N 381.501 3.901 0 40 GHAB c1ccc(-n2c(Sc3ncccn3)nnc2[C@H]2COc3ccccc3O2)cc1 8160488 CLOWREHVBHZMHU-QGZVFWFLSA-N 389.440 3.721 0 40 GHAB COc1ccc(OC)c([C@H]2C=C(c3ccc(C(C)C)cc3)Nc3nnnn32)c1 102048066 DBXYKZIYEMEPIO-LJQANCHMSA-N 377.448 3.870 0 40 GHAB C[C@@H]1[C@@H](OC(=O)CSCc2cc(=O)n3ccsc3n2)C[C@H]2C[C@H]1C2(C)C 102186227 WUWICFSMIDTBGR-MXYBEHONSA-N 392.546 3.603 0 40 GHAB O=C1c2ccccc2C(=O)N1CCCN1CC=C(c2c[nH]c3ccccc23)CC1 32769976 WNMBIPKYHJTSOL-UHFFFAOYSA-N 385.467 3.943 0 40 GHAB Cc1ccccc1CN1CCC(C(=O)Nc2ccccc2C(=O)NC(C)C)CC1 9062920 UEFRFRFADAXZRD-UHFFFAOYSA-N 393.531 3.984 0 40 GHAB Cc1nc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)sc1-c1ccccn1 32899115 ZLQZXJCMEFRCLU-CQSZACIVSA-N 398.513 3.818 0 40 GHAB CC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)NCc1ccccc1F 32902163 GHEFSHPHZBMYCU-UHFFFAOYSA-N 399.447 3.795 0 40 GHAB CC(C)(C)c1noc(CCC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)n1 33172512 FINHXQZESTWROU-UHFFFAOYSA-N 393.447 3.586 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCCCN2C(=O)C(C)C)cc1OCC 54945745 MDSKKSFXKUTACW-SJLPKXTDSA-N 390.524 3.698 0 40 GHAB CCc1cccc(C)c1NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 628082 BWHUMNIPECVXKA-UHFFFAOYSA-N 394.924 3.924 0 40 GHAB C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccccc2F)CC1 22801889 FKMRPSZGRPRWPP-OAHLLOKOSA-N 384.430 3.894 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)CSc1ccc(C(F)(F)F)cn1)OCO2 57578570 HADJTDRVUGYVQP-UHFFFAOYSA-N 398.362 3.763 0 40 GHAB COc1cccc(CC(=O)NC[C@H]2CC[C@H](c3nn(C)c4ncccc43)CC2)c1 100216414 PRTVCJBGONFRNN-MAEOIBBWSA-N 392.503 3.610 0 40 GHAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccc(C(F)(F)F)cc1 3007481 PLVPHMNNSLHLEY-UHFFFAOYSA-N 387.317 3.800 0 40 GHAB O=C([C@@H](F)C(F)(F)F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 25868734 IUGWFAGUFNIPTR-GOSISDBHSA-N 380.385 3.821 0 40 GHAB CCOC(=O)c1ccc(N[C@@H]2SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 1018891 QWVULZOJSMOAHZ-QGZVFWFLSA-N 384.457 3.805 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2n[nH]c(=O)c3ccccc23)cc1 24392157 BQSVHRRNQKMOHV-IBGZPJMESA-N 377.444 3.689 0 40 GHAB O=C(Nc1ccccc1)C1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 24345991 KKMQDFBZDDNEKE-UHFFFAOYSA-N 396.512 3.654 0 40 GHAB COC(=O)C[C@H](NC(=O)CCc1nc2ccccc2s1)c1ccc(C)cc1 24490239 CBZFLULJFCKVPY-KRWDZBQOSA-N 382.485 3.958 0 40 GHAB Cc1ccc(NC(=O)Cn2/c(=N\C[C@H]3CCCO3)sc3ccccc32)cc1 105802505 CBKAKWVYXKURNB-BFQBXFRASA-N 381.501 3.730 0 40 GHAB O=C(O[C@@H]1CCS(=O)(=O)c2sccc21)c1cccc(C(F)(F)F)c1 1393985 XZZUWUWFAWAUSF-GFCCVEGCSA-N 376.377 3.842 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1ccccc1O 1320586 ZFXRBJSASSGAEN-QHCPKHFHSA-N 391.398 3.539 0 40 GHAB Cc1ccc(Cl)cc1N(CCCC(=O)NC1CCCCC1)S(C)(=O)=O 10370014 ONDPFGSHASIMDU-UHFFFAOYSA-N 386.945 3.644 0 40 GHAB CS(=O)(=O)Nc1cccc(CNC(=O)c2sccc2-c2ccccc2)c1 10548782 QGWCWISBDUNETJ-UHFFFAOYSA-N 386.498 3.717 0 40 GHAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(Br)o1 10456684 LSMCCWHGPVVJEP-UHFFFAOYSA-N 377.282 3.958 0 40 GHAB CCC(=O)Oc1ccc(Br)cc1/C=C1/N=C(c2ccco2)OC1=O 409189226 NBJHTNHRMUIUTB-FMIVXFBMSA-N 390.189 3.702 0 40 GHAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1cc(Cl)c2c(c1)OCCCO2 58424453 XUFLGGHRZGAJAD-XJKSGUPXSA-N 386.879 3.869 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cn2cc(Br)cn2)o1 27980834 QUPCWSKZVBKBKR-GFCCVEGCSA-N 386.249 3.878 0 40 GHAB CCOc1ncccc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2)n1 8328828 HYLZQVISYDKMSL-UHFFFAOYSA-N 397.456 3.978 0 40 GHAB COc1ccc(CN(C)CC(=O)Nc2ccc(C)c(Br)c2)cc1F 8308951 XAKZVSRWXWJYCH-UHFFFAOYSA-N 395.272 3.976 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(F)c2)c(C)c1 12885107 LDGCMVTWGVRBOP-GOSISDBHSA-N 390.480 3.543 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccncc1 3450785 FJEHTXCKSVVPRP-UHFFFAOYSA-N 397.504 3.880 0 40 GHAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCCCCC3)c2C1 3464901 WPCUWXMZFDNLTJ-MRXNPFEDSA-N 380.488 3.919 0 40 GHAB O=C(O)c1cc(-c2cnn(Cc3ccccc3)c2)nc2cc3c(cc12)OCCO3 12941595 WRFYABKULVHBRU-UHFFFAOYSA-N 387.395 3.616 0 40 GHAB CCN(CC)C(=O)CSCC(=O)Nc1cc(OC)c(Cl)cc1Cl 4013218 UCRICPODAZPNQP-UHFFFAOYSA-N 379.309 3.542 0 40 GHAB CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@@H]2CCCc3ccccc32)s1 17207483 LOFDLGSSXQOWLJ-MRXNPFEDSA-N 386.521 3.649 0 40 GHAB C[C@H](NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1cccc(C(F)(F)F)c1 49795445 BYJBLUPIJVELRL-NWDGAFQWSA-N 397.363 3.950 0 40 GHAB CC(C)(C)C(=O)N1CCC(C(=O)NCC2(N3CCCCC3)CCCCC2)CC1 14157407 DHACUWNJTRPXRW-UHFFFAOYSA-N 391.600 3.576 0 40 GHAB C[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1cccc(Br)c1 20029761 JGYVKJGBLIIWOK-LBPRGKRZSA-N 376.250 3.640 0 40 GHAB CCn1c(C)cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1C 8713260 JPJKERMJUUVCFD-CYBMUJFWSA-N 386.473 3.597 0 40 GHAB CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 8782326 SUGLHKPOQPIIHC-KRWDZBQOSA-N 393.487 3.517 0 40 GHAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)NCc1ccccc1 4935596 AJHDPSUUNUDCGJ-OAHLLOKOSA-N 378.501 3.942 0 40 GHAB CCNC(=O)NC(=O)[C@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 6932008 FEABRLKMOXNXBW-NSHDSACASA-N 386.502 3.685 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 6923308 HHSXMQPLGVOPSI-LJQANCHMSA-N 377.488 3.664 0 40 GHAB CC1CCN(CCCNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 7077887 AKOBIVAYCXWUSL-UHFFFAOYSA-N 394.515 3.535 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)c1C 8725546 JHYLGFFVMSEHMI-HNNXBMFYSA-N 396.516 3.729 0 40 GHAB Cc1noc(N)c1C(=O)OCc1nc2cc(Cl)ccc2n1Cc1ccccc1 71798377 GXAJZXKZWJFCIE-UHFFFAOYSA-N 396.834 3.974 0 40 GHAB CC(=O)N[C@@H](CC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccs1 9796235 HYNRDIDIHFDBPQ-AWEZNQCLSA-N 386.395 3.530 0 40 GHAB O=S(=O)(Nc1cc(Cc2ccccc2)ccc1O)c1ccc2c(c1)COC2 72312881 ZQTBDTQRYHLWLC-UHFFFAOYSA-N 381.453 3.814 0 40 GHAB CCC(CC)[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)C(=O)OC 72300929 PJJJSHNXTWCMQH-GOSISDBHSA-N 390.505 3.669 0 40 GHAB COC(=O)[C@@H](C)[C@@H](NCc1coc(-c2ccc(OC)cc2)n1)c1ccccc1 79025908 DLCMCPUVISGIKZ-MGPUTAFESA-N 380.444 3.990 0 40 GHAB Cn1ccnc1[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1ccccc1F 29999617 KGRQXTBEHPTWKV-JOCHJYFZSA-N 377.463 3.886 0 40 GHAB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1 95998964 IHFYZRONYFNLDS-INIZCTEOSA-N 399.495 3.530 0 40 GHAB COc1ccccc1N1CCN(CC(=O)c2ccc(Br)s2)CC1 67206127 AJGAHUAXPIYETJ-UHFFFAOYSA-N 395.322 3.524 0 40 GHAB COCCCn1c(SC(c2ccc(F)cc2)c2ccc(F)cc2)n[nH]c1=O 68898794 VOEMKAHMFXIEMK-UHFFFAOYSA-N 391.443 3.768 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2CN(Cc3cccnc3)C[C@H]21 306133548 MPGUMEQEFRZYBW-RBBKRZOGSA-N 394.471 3.643 0 40 GHAB COc1ccc(Cl)cc1C(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 35592980 HQANPXVYKQNSAH-HXUWFJFHSA-N 388.895 3.542 0 40 GHAB CN1CCCC[C@@H](C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)C1=O 72372036 GBWSQLICTWILJL-FQEVSTJZSA-N 381.520 3.598 0 40 GHAB O=C(O)c1ccc(NCc2ccccc2)c(S(=O)(=O)Nc2ccccc2)c1 217504572 DMZBTFLLIOTMMZ-UHFFFAOYSA-N 382.441 3.798 0 40 GHAB O=C1NCCN(Cc2c[nH]c3ccccc23)[C@H]1Cc1cccc(-c2ccncc2)c1 72351651 NLWQUMCPIGUZSO-DEOSSOPVSA-N 396.494 3.773 0 40 GHAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)c1 72348997 DKCRHORXHLUIDR-OAQYLSRUSA-N 399.494 3.796 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 224846206 INDKLSLBBGJEHX-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB Cc1ccccc1OCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 223719148 YOIWHALNFXEQJG-IBGZPJMESA-N 394.515 3.850 0 40 GHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 222905551 LKBCARSPIGGPER-UXHICEINSA-N 377.517 3.896 0 40 GHAB Cc1cc(NC(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)cc2n[nH]cc12 568375910 YTTJEEYBTWXMPM-ZDUSSCGKSA-N 379.468 3.729 0 40 GHAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(OC)nc2)cc1OCC 225752499 PDBUFMBNTUWCIL-ZDUSSCGKSA-N 375.494 3.935 0 40 GHAB CCc1ccc(OC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 40128785 PDXYUCWJDNDTNS-UHFFFAOYSA-N 397.471 3.724 0 40 GHAB CCc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccc4c(c3)OCCO4)sc2n1 40047266 PVDOEGKNSGJWDY-UHFFFAOYSA-N 397.500 3.914 0 40 GHAB O=C(O)[C@H]1CCCN(C(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)C1 40288392 FVBBRCOPZGPXHO-IBGZPJMESA-N 392.455 3.544 0 40 GHAB Cc1nc(C(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4F)no3)C2)cs1 220674956 IKPMGOAPUOWZSZ-ZDUSSCGKSA-N 386.452 3.736 0 40 GHAB CN(C)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1cn(C)c2ccccc12 77171674 PMZVMLAYIZSJTG-NRFANRHFSA-N 379.479 3.768 0 40 GHAB COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)CCC3CCCCC3)ccc21 96182201 ONOKWUSTBXFXQG-UHFFFAOYSA-N 386.492 3.783 0 40 GHAB O=C(Nc1cccc(F)c1)[C@@H]1C[C@]12CCN(C(=O)NCc1cccc(F)c1)C2 96227234 RGJPGSKXGSLCBH-RXVVDRJESA-N 385.414 3.525 0 40 GHAB CCCCN(C)C(=O)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 96037684 BZSLFKPXVQMAFN-UHFFFAOYSA-N 381.524 3.827 0 40 GHAB NC(=S)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516994 YQDFYVJNPRGXMG-RBSFLKMASA-N 386.325 3.835 0 40 GHAB O=C(c1cnccn1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257333820 YDEXSPOEVNRATC-OAHLLOKOSA-N 382.851 3.729 0 40 GHAB C[C@H](SCC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1nc2ccccc2[nH]1 596004917 SENYBOZLJPURFU-ZDUSSCGKSA-N 383.521 3.691 0 40 GHAB CC(C)(C)n1cc([C@@H]2N(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC23CCOCC3)cn1 606445057 QESUEVBCQFRAMU-ZCNNSNEGSA-N 394.519 3.517 0 40 GHAB O=C(NC[C@H]1CCCN1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 562746618 JIQQUAKMRJXYAD-CYBMUJFWSA-N 384.427 3.626 0 40 GHAB O=C(Nc1ccc(OCCc2ccncc2)cc1)c1cc2c([nH]c1=O)CCCC2 68108361 AAGGMEHMWJAIQU-UHFFFAOYSA-N 389.455 3.523 0 40 GHAB O=C(Nc1cccc(OCc2cscn2)c1)N[C@@H]1COc2ccccc2C1 107377817 ZHJYAZYLLDMHGO-INIZCTEOSA-N 381.457 3.847 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)c1 5294520 GDAIBJXAQUKPLZ-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB O=C(c1noc2c1CCCC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 15726854 BZGXMLCTRYUNOK-UHFFFAOYSA-N 379.382 3.535 0 40 GHAB COc1cc(OC)cc(C(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)c1 15838890 BLNFNMIBNZDFJF-UHFFFAOYSA-N 380.444 3.596 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc23)cc1 16780470 NQEONRJWKPGAKS-UHFFFAOYSA-N 394.496 3.884 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)C2CCCC2)on1 19121754 MWOZVTYBAVDONC-KRWDZBQOSA-N 383.496 3.750 0 40 GHAB NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CCCCC2)C1 19348400 SZDMRHYONDGPRL-DEOSSOPVSA-N 391.515 3.575 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)CCCNC(=O)c1cc2cccc(F)c2[nH]1 19498257 IHIREBZYJCYDIB-CQSZACIVSA-N 379.435 3.795 0 40 GHAB COc1ccccc1CC(=O)N1CCCCC[C@H]2N[C@H](Cc3ccccc3)C[C@@H]21 19712921 FDRKYLPBJRHWGA-ZLNRFVROSA-N 392.543 3.982 0 40 GHAB CCc1cc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c2c(C)noc2n1 19714526 AJCGTAHYHQRUOB-UHFFFAOYSA-N 392.459 3.890 0 40 GHAB COc1ccc(Br)cc1/C=C/c1cc(C(F)(F)F)[nH]c(=O)n1 165432326 NWOADZYBQNDQFF-DUXPYHPUSA-N 375.144 3.730 0 40 GHAB COc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)ccc1OCC(=O)O 6441246 ARCLKPRCZBVZFX-KEBDBYFISA-N 383.429 3.728 0 40 GHAB CO[C@H]([C@H](C)C(=O)OCc1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C 309930907 VZIUJIWPLDAAGJ-CGTJXYLNSA-N 377.481 3.780 0 40 GHAB CC(C)c1ccc(NC(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 5089014 MMNCVFLBWYKNFF-UHFFFAOYSA-N 394.471 3.728 0 40 GHAB COc1ccc(CCNc2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1OC 18941323 UNFDMPNIRFCDGE-UHFFFAOYSA-N 396.472 3.652 0 40 GHAB C[C@@H](NC(=O)NCCc1cn2ccccc2n1)c1cccc(C(F)(F)F)c1 26288283 ABGZVGUMCBXCTK-CYBMUJFWSA-N 376.382 3.956 0 40 GHAB C[C@@H]1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)Nc2ccccc2)co1 4304332 XVODATNMYAUCMF-MRXNPFEDSA-N 390.439 3.609 0 40 GHAB CC(C)C(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 5136588 HBBOVDDKOYSOPT-UHFFFAOYSA-N 376.453 3.562 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)cc1OC 5372459 KFHNKBQVCKSZQF-UHFFFAOYSA-N 379.416 3.885 0 40 GHAB COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1c(C)cc(C)cc1C 7458170 OAKPODLIRHBVMS-UHFFFAOYSA-N 377.444 3.727 0 40 GHAB CC1(C)COc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2NC1=O 9173895 NCPYCSBJQSJUJJ-UHFFFAOYSA-N 394.880 3.639 0 40 GHAB COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cn2n1 11693566 CBZVLMZCCFQMLS-UHFFFAOYSA-N 394.456 3.514 0 40 GHAB COc1ccc(-c2cc(CC(=O)NCCc3c[nH]c4ccccc34)no2)cc1 13574347 OBMDWOGFHZFEKL-UHFFFAOYSA-N 375.428 3.733 0 40 GHAB CCN1CCCc2cc(CCNC(=O)Nc3ccc(OC)c(OC)c3)ccc21 22510581 MFARPOAWHGROHE-UHFFFAOYSA-N 383.492 3.841 0 40 GHAB O=S(=O)(Cc1nc(-c2ccc(Br)cc2)no1)c1ccc(F)cc1 23125816 YNZCVYXVOUUJJQ-UHFFFAOYSA-N 397.225 3.612 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccc(OCCn3cncn3)c2)o1 40139143 IHYZULRBGAFCGS-ZSALGJERSA-N 378.432 3.725 0 40 GHAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc(OC)c1O 40288016 KFDUMKZJCNKBNM-CQSZACIVSA-N 383.379 3.858 0 40 GHAB CCn1cc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)c(C)n1 36616750 HUXIAOSYCVGRGK-UHFFFAOYSA-N 380.477 3.782 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)o2)cc1OC 882403 JRBWALWCKUEWJV-STQMWFEESA-N 391.493 3.635 0 40 GHAB Cc1ccccc1C(=O)c1c[nH]c(C(=O)N2CCN(Cc3ccccc3)CC2)c1 20405812 JHUXOACAADRCCL-UHFFFAOYSA-N 387.483 3.512 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2ccc(N(C)C)cc2)ccc1Br 3316568 UKQSCSBXWFQPJY-UHFFFAOYSA-N 391.265 3.619 0 40 GHAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1c[nH]c2ccccc12 3571470 LXCFITKGBDKQIY-UHFFFAOYSA-N 379.397 3.922 0 40 GHAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 29051051 JPRVAQFGHIJYMS-YWZLYKJASA-N 397.906 3.574 0 40 GHAB Fc1ccc(Cn2nnnc2[C@H](c2ccc3ncccc3c2)N2CCCC2)cc1 4230576 CZJZCVQNVAPXQT-NRFANRHFSA-N 388.450 3.594 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1OC 51318263 GSFLXIWSPIFDDY-OAHLLOKOSA-N 394.475 3.701 0 40 GHAB CCOC(=O)CSc1nnc(CNc2cc(Cl)ccc2Cl)n1CC 4349225 XQAFZXLLHDLQJV-UHFFFAOYSA-N 389.308 3.872 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccc(Cl)c(N)c1 6422157 YVGMNYLJPXBKIR-UHFFFAOYSA-N 398.850 3.520 0 40 GHAB O=C(COc1ccc(Br)cc1Br)Nc1nccs1 6861755 VEJFTSFFZBBCSU-UHFFFAOYSA-N 392.072 3.686 0 40 GHAB COc1cccc(-n2cnnc2S[C@H](C(=O)N2CCCC2)c2ccccc2)c1 6980079 AZXGMMQMJIQYNC-IBGZPJMESA-N 394.500 3.732 0 40 GHAB Cc1ccccc1NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 7069992 WKISKSYGGKBBMH-UHFFFAOYSA-N 386.517 3.571 0 40 GHAB O=C1Nc2ccccc2[C@]12CC(O)=Nc1c2cnn1-c1nc2ccccc2s1 32104450 IEPZGEATTPETOS-FQEVSTJZSA-N 387.424 3.712 0 40 GHAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCc3cccs3)o2)c1 7540597 ASQPTYRJVYMAAT-UHFFFAOYSA-N 385.441 3.871 0 40 GHAB COC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7842872 MGKORKXBMAYMQE-QGZVFWFLSA-N 389.407 3.585 0 40 GHAB CCCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 11613984 QMOJTDDIZUJBCQ-UHFFFAOYSA-N 377.462 3.981 0 40 GHAB CN(Cc1cccc(Cl)c1Cl)C(=O)CCn1cnc2ccccc2c1=O 32491782 KTULCKQSKGWTEE-UHFFFAOYSA-N 390.270 3.752 0 40 GHAB Cn1nnnc1-c1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 10083980 BXMFBOYDJLXDOU-UHFFFAOYSA-N 396.410 3.938 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(COc2ccccc2)o1 8313920 VGUJOSPWMMTHSD-UHFFFAOYSA-N 382.391 3.708 0 40 GHAB CCn1nnnc1NCc1cc(Br)ccc1OCc1ccccc1 8339963 YQLQZQBWFBGFFY-UHFFFAOYSA-N 388.269 3.647 0 40 GHAB Cc1ccc(N(CCCC(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1 8499735 HILWDYYBDXMGSW-UHFFFAOYSA-N 380.554 3.770 0 40 GHAB O=C(NCc1ccc(Cl)cc1)NC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)O1 8839474 VTEXAERIVDWDOD-MRXNPFEDSA-N 394.258 3.818 0 40 GHAB O=S(=O)(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C[C@H]1CCCO1 46160187 XFCFYYPYYGQYLH-CQSZACIVSA-N 391.436 3.923 0 40 GHAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)Nc1ccc2c(c1)OCCO2 11865923 NMJDYJVYGWUFIP-GOSISDBHSA-N 384.457 3.733 0 40 GHAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 9548708 RRGBUKJGTVHGDQ-ZDUSSCGKSA-N 380.473 3.623 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(CC)CCO3)cc1OCC 9828126 JVRDOXPDHINFLG-UHFFFAOYSA-N 398.459 3.591 0 40 GHAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCOc2ccccc2)C1=O 2619948 CGCRHCWLNHKOOL-GOSISDBHSA-N 379.243 3.839 0 40 GHAB CCOC(=O)Nc1cccc(NCC(=O)N2CCCc3cc(OC)ccc32)c1C 59930575 IHFLRIWDRHXJGN-UHFFFAOYSA-N 397.475 3.963 0 40 GHAB O=C(c1n[nH]c2ccccc12)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 21928049 RSMPOQRIYCUMKQ-UHFFFAOYSA-N 388.393 3.540 0 40 GHAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 23633523 SSYBLIKKSQBNIM-NQIIRXRSSA-N 386.511 3.901 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(F)cc(F)c1 46435312 ZUJOGTRHQTZPBP-INIZCTEOSA-N 394.805 3.870 0 40 GHAB COc1ccc(CC(=O)O[C@H](C)C(=O)c2ccccc2)cc1Br 644542 QBRXPTPILFXENE-GFCCVEGCSA-N 377.234 3.815 0 40 GHAB CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1cccc(C(=O)O)c1 59599906 YHUKANFVBUWEAQ-MIQHFYGNSA-N 383.385 3.527 0 40 GHAB O=C(Nc1ccccc1C(=O)Nc1ccc(OC(F)F)cc1)c1cnccn1 22254606 BIHXPHGXYWRKQG-UHFFFAOYSA-N 384.342 3.583 0 40 GHAB C[C@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F 42046483 TZIUUUKQLBUQNI-CMPLNLGQSA-N 382.844 3.874 0 40 GHAB Cc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccc(C(F)(F)F)cc2)cc1 721441 RCMBELNZXIWOIW-UHFFFAOYSA-N 397.364 3.696 0 40 GHAB O=C(NCc1ccco1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323902 VQLDEBWGBRGBRB-UHFFFAOYSA-N 378.432 3.782 0 40 GHAB Cc1cccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@@H]4N2Cc2cnn(C)c2)c1 100141195 IZYRSJSXUHPEAL-RXVVDRJESA-N 384.487 3.700 0 40 GHAB Cc1nc(-c2cccc(NC(=O)CCS(=O)(=O)C3CCCC3)c2)oc1C 54235217 ZGKIKRMJBZWMGA-UHFFFAOYSA-N 376.478 3.644 0 40 GHAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1sc2ccccc2c1Cl 102197884 KEWXNHHWMZCEDU-AWEZNQCLSA-N 396.921 3.537 0 40 GHAB COc1ccc(-n2ccc(C(=O)Nc3ccc4c(c3)nc(C3CC3)n4C)n2)cc1 89745635 BERAWHUAEQMHOB-UHFFFAOYSA-N 387.443 3.897 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)s1 24070678 LLHAACFYNWDXAZ-UHFFFAOYSA-N 388.518 3.842 0 40 GHAB C[C@H]1Sc2ccc(C(=O)N(C)Cc3ccccc3N3CCCC3)cc2NC1=O 24190762 HJNODKKXYBLRTE-OAHLLOKOSA-N 395.528 3.992 0 40 GHAB COc1cccc(-n2ccnc2SCC(=O)c2cc(OC)ccc2OC)c1 26045146 SURRNHUSWOISOK-UHFFFAOYSA-N 384.457 3.873 0 40 GHAB Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(C)cc2Br)cc1 28614124 PZARHKWDMQFFIM-UHFFFAOYSA-N 392.249 3.627 0 40 GHAB O=c1c2ccccc2c(-c2cccs2)nn1C[C@@H](O)COCc1cccs1 24992043 VTFCGHCYLCGFOF-CQSZACIVSA-N 398.509 3.764 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](C)O)c(NC(=O)c2cc(F)c(F)cc2Cl)c1 1439653 NXOYYYSKNNKDBP-SECBINFHSA-N 398.793 3.589 0 40 GHAB Cc1ccc(NC(=S)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 25784694 CCFINXPRQUUCSF-UHFFFAOYSA-N 380.439 3.928 0 40 GHAB COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1OC 35476598 XGNLGLRCUKBPOP-UHFFFAOYSA-N 390.399 3.886 0 40 GHAB CN(Cc1ccc(F)cc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 57973085 QYVKHOVCUNLLKW-UHFFFAOYSA-N 393.462 3.924 0 40 GHAB NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 27226360 NEBLVFYLZVDDAX-OAHLLOKOSA-N 394.500 3.616 0 40 GHAB COCc1cccc(C(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 58201267 ARLJNAUMFVGLHV-QGZVFWFLSA-N 376.497 3.552 0 40 GHAB COc1ccc(Cc2nnc3sc(/C=C/c4ccccc4)nn23)cc1OC 10311829 HBKAUXDPULRLEI-PKNBQFBNSA-N 378.457 3.964 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(-c2ccccc2)[nH]n1 7118765 GVDXRPAZJGHRDE-UHFFFAOYSA-N 385.471 3.868 0 40 GHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)OCC(=O)c1ccc2c(c1)CCC2 10615530 JZDWNEZVHPTMTO-UHFFFAOYSA-N 394.402 3.723 0 40 GHAB O=C(Nc1ccc(F)cc1F)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3314840 IOQIRGVLFFMOAI-UHFFFAOYSA-N 391.377 3.975 0 40 GHAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCC(C(=O)N2CCCC2)CC1 12752207 WFQBMTQFUFWBPJ-ZDUSSCGKSA-N 398.334 3.655 0 40 GHAB CCc1ccc([C@@H](NCc2nnc3n(C)c(=O)c4ccccc4n23)C(C)C)cc1 15522617 XWIRKSZNZLWQSS-NRFANRHFSA-N 389.503 3.631 0 40 GHAB CC(C)OCc1ccc(CNC(=O)CCCn2c(=O)oc3ccccc32)cc1 48345103 MULWRMYROWMAOC-UHFFFAOYSA-N 382.460 3.616 0 40 GHAB O=C1CCc2cc(C(=O)COC(=O)C3(c4ccc(F)cc4)CCC3)ccc2N1 12919825 QKMOSEXOVQHGOK-UHFFFAOYSA-N 381.403 3.558 0 40 GHAB O=C1O[C@H](C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)Cc2ccccc21 12927329 LQRFLQAHNOYDJD-INIZCTEOSA-N 386.379 3.809 0 40 GHAB CC(C)n1ncc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cnc21 13022984 PLEIZKCAOHIDPC-CQSZACIVSA-N 397.866 3.657 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1Br 7406356 RDDWWVUYDQUNIK-MRXNPFEDSA-N 377.282 3.999 0 40 GHAB COC(=O)[C@@H]1[C@@H](C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)[C@H]2CC[C@@H]1C2 4180057 ARHPCHVOIGDODW-WAGURGNTSA-N 392.451 3.915 0 40 GHAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2F)C1 64735977 PWKBUFRSDKQZQC-HLLBOEOZSA-N 378.463 3.792 0 40 GHAB S=C(NC1CC1)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 13723175 SQFCKBWIIPFVEU-UHFFFAOYSA-N 378.501 3.525 0 40 GHAB Cc1cc(C)n2nc(SCc3cc4c(cc3Br)OCO4)nc2n1 5168202 UFEDXWCUGZPWAL-UHFFFAOYSA-N 393.266 3.525 0 40 GHAB COC(=O)[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1cc(F)ccc1F 69568926 PZUZZXAFZMPMEN-HNNXBMFYSA-N 378.762 3.744 0 40 GHAB Cc1cc(C)cc(NC(=S)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 6333155 YPZKLPSBYAONRJ-UHFFFAOYSA-N 377.535 3.671 0 40 GHAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CCOc2ccccc21 14184067 CQJJODNBKVDPEH-MRXNPFEDSA-N 383.835 3.963 0 40 GHAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)o2)c2cc(Br)ccc21 4545107 RVTLTFASZXUPAZ-GOSISDBHSA-N 392.249 3.568 0 40 GHAB CC1=C(C(N)=O)[C@@H](c2ccc(F)cc2)n2nc(-c3cccc(Cl)c3)nc2N1 4574552 JDRZHFCVDJXNLF-MRXNPFEDSA-N 383.814 3.512 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CS3)c(C)n1C1CC1 4581771 ZNRCXNNCCHYRHB-UHFFFAOYSA-N 384.457 3.524 0 40 GHAB O=C(COc1ccc2c(c1)OCO2)N1N=C(c2ccco2)C[C@@H]1c1cccs1 8183914 NEEXUOIXDKTGOD-OAHLLOKOSA-N 396.424 3.827 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)c(Br)c1 8106140 AMGNRZJQFRJHFN-UHFFFAOYSA-N 398.278 3.576 0 40 GHAB CC(C)[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)nc1)c1ccc(Cl)cc1 14520442 SWMSEDBIKSRERG-HXUWFJFHSA-N 386.927 3.865 0 40 GHAB Cc1ccc(-n2c(C[C@H]3C(=O)Nc4ccccc43)nc3ccccc3c2=O)cc1 6719615 AIEVDDKHCLSPSN-LJQANCHMSA-N 381.435 3.973 0 40 GHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(CN2CCCC2)cc1 8733782 IQOMYSXIHFEHNQ-KRWDZBQOSA-N 381.476 3.536 0 40 GHAB O=C(NCCc1ccc2c(c1)OCO2)c1c[nH]c2cccc(Br)c12 89800153 YOCMBZIKEIFJED-UHFFFAOYSA-N 387.233 3.632 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cnn(Cc2ccccc2)c1 9584892 LATGKZWFQIISQA-UHFFFAOYSA-N 399.498 3.723 0 40 GHAB OCCN(Cc1nc(-c2cc(Br)cs2)no1)C1CCCCC1 78803216 SRBNJTVEBVYVJN-UHFFFAOYSA-N 386.315 3.688 0 40 GHAB Cc1cccn(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c1=O 95349657 IGELCEBFLOZJKM-GOSISDBHSA-N 395.846 3.781 0 40 GHAB COc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 95462296 FONSRGUCEPRAGB-RHSMWYFYSA-N 377.485 3.995 0 40 GHAB CN(C)CC[C@H](NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C 95442934 VTZWVAQROSQJEV-IRXDYDNUSA-N 383.577 3.506 0 40 GHAB CCC(CC)c1cc(CNC(=O)[C@@H]2CCn3c(cnc3C(F)(F)F)C2)on1 95993229 DVQNXWNIIXJYNO-GFCCVEGCSA-N 384.402 3.672 0 40 GHAB O=C(O)C[C@H](NCc1cnn(Cc2ccccc2Cl)c1)c1ccsc1 95997737 DRWXDKMEOBSTTG-KRWDZBQOSA-N 375.881 3.952 0 40 GHAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)N1CCC(Cc2ccccc2)CC1 9952307 CUAKRIHTZOTBGL-KRWDZBQOSA-N 398.576 3.966 0 40 GHAB CC(C)n1ccc2c1CN(C(=O)C1CC1)Cc1cn(Cc3ccccn3)nc1-2 306133933 MZQQUQBHZRAWLJ-UHFFFAOYSA-N 375.476 3.628 0 40 GHAB C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 32929718 DGTRDIJDHMVXKE-CYBMUJFWSA-N 385.407 3.672 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1sc2nccn2c1C)c1cccc(OC)c1 509901661 LYNGFEWSRFFKMV-KRWDZBQOSA-N 386.521 3.526 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c(C)c1 408628815 BHZUYEAIRXZACS-UHFFFAOYSA-N 387.911 3.726 0 40 GHAB O=C1N/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccccc1F 409065693 KLFJYYKQBFVXKJ-OQLLNIDSSA-N 375.197 3.681 0 40 GHAB CC(C)c1cc(N[C@@H]2CCCN(c3ccccc3Cl)C2=O)n2ncnc2n1 525705717 GHUYGEFQWHUUNX-CQSZACIVSA-N 384.871 3.509 0 40 GHAB CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1Cl 36391847 NEMZYJVBLWRIKE-UHFFFAOYSA-N 378.252 3.832 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 30871106 DGYRDTYEWVTQSK-AWEZNQCLSA-N 390.867 3.512 0 40 GHAB O=C1[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)N1c1ccccc1)[C@H]1ON=C(c2ccccc2Cl)[C@H]31 4744601 SQDUIBLQVHZPAX-BSOTUYDFSA-N 392.842 3.515 0 40 GHAB CCc1ccc(C(=O)Nc2cc(N3CCN(CC)CC3)c(N)cc2Cl)cc1 72229159 DJUBIPNLCOYAET-UHFFFAOYSA-N 386.927 3.879 0 40 GHAB COc1ccc(CCn2cc(C(=O)Nc3ccncc3)c3ccccc3c2=O)cc1 72402173 CPTJZTSGISFQOG-UHFFFAOYSA-N 399.450 3.900 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccc(F)cc1Cl 79487235 DSEFYXGPHHZWFO-INIZCTEOSA-N 397.859 3.971 0 40 GHAB Cc1cc2c(cc1S(=O)(=O)Nc1cccc(Cl)c1Cl)oc(=O)n2C 223335249 FLKSRMGKXDOEPU-UHFFFAOYSA-N 387.244 3.548 0 40 GHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c1 46576247 WQEONDUQOZBZSB-UHFFFAOYSA-N 388.489 3.511 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 224382080 GNKVWBMYXBQDDC-OAQYLSRUSA-N 384.495 3.929 0 40 GHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 225677724 PBNFTTAMZCLMTN-SFHVURJKSA-N 384.495 3.948 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225098732 ZFSPIACNMPXURW-KRWDZBQOSA-N 386.473 3.888 0 40 GHAB CCn1c(=O)sc2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc21 46017429 YNDZQFNAPVTLAN-UHFFFAOYSA-N 376.503 3.809 0 40 GHAB COc1cc(C=O)ccc1OCc1nc(-c2cccc(OC(F)F)c2)no1 89262998 CBLNAUAHMJETDE-UHFFFAOYSA-N 376.315 3.738 0 40 GHAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 223289155 OOZZWTZHAIKGJS-RUDMXATFSA-N 385.272 3.553 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 223090074 BNYJILDTJIFXOZ-OAQYLSRUSA-N 382.504 3.544 0 40 GHAB Cc1cc(C)cc(OCCNS(=O)(=O)Cc2cccc(Br)c2)c1 224108286 IHLKYYSNRVWQJC-UHFFFAOYSA-N 398.322 3.564 0 40 GHAB COc1ccc(CCc2nc3nccc(-c4ccc(F)cc4OC)n3n2)cc1 95478370 AKXRNYKGFNEVGO-UHFFFAOYSA-N 378.407 3.733 0 40 GHAB O=C(c1cccc(O)n1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257285695 PIIIODKRIHTOLN-SFHVURJKSA-N 381.407 3.873 0 40 GHAB Cc1ccc(C(=O)N2CC[C@@](O)(CC(C)C)[C@@H](Oc3cccc(F)c3)C2)cn1 257293977 QRYGMZKLJJXVPY-RBBKRZOGSA-N 386.467 3.600 0 40 GHAB C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC[C@@H]1C(=O)O 630569134 VUROMXUTMKBGSW-YPMHNXCESA-N 391.374 3.727 0 40 GHAB Cc1ccc2cc(CNC(=O)c3cc(C)nc4c3cnn4C(C)C)c(O)nc2c1 585295345 WBFFAIDJOAYWFH-UHFFFAOYSA-N 389.459 3.813 0 40 GHAB Cc1nc(/C=C/C(=O)N2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cs1 585289411 FTOBSMCUZBSWQN-XGTLJDLRSA-N 398.528 3.832 0 40 GHAB CC(=O)OC[C@H](COCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC(C)=O 5383244 VQZBBZOTLKZJRI-KRWDZBQOSA-N 394.508 3.999 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Cl)cc1 5692126 CUZVBZNPVDSIME-UHFFFAOYSA-N 375.808 3.702 0 40 GHAB Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)Nc3ccc4c(c3)CCC4)n2)s1 12181701 LXDSNYGODMPEFC-CYBMUJFWSA-N 394.500 3.551 0 40 GHAB O=C(CCc1ccccc1F)N[C@H]1CCCc2nc(-c3ccncc3)ncc21 13266947 UBLJNSHRGUWHOZ-IBGZPJMESA-N 376.435 3.804 0 40 GHAB CC(=O)Nc1ccc2[nH]/c(=N/C(=O)CSc3nc4ccccc4o3)sc2c1 13569719 UIBGFJIKFYTAFT-UHFFFAOYSA-N 398.469 3.549 0 40 GHAB CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714181 LELPSLPXFOMFTA-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3Cc3cnc(C)nc3)cc2n1 19116744 USYOTFUIWUCHSM-MRXNPFEDSA-N 390.413 3.882 0 40 GHAB CCC(CC)C(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1 19500264 UTOMHOVLOCUBES-UHFFFAOYSA-N 386.515 3.743 0 40 GHAB COc1cc(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cc(OC)c1OC 19549499 PXLREENDMZZKPT-UHFFFAOYSA-N 395.459 3.609 0 40 GHAB Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)COc2ccccc2)c1C 19558157 XEMSWVLISHFSKM-LJQANCHMSA-N 394.475 3.825 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(-n3nnnc3C)c2)cc1 19662298 NKWSHGAMKXVMHF-OAQYLSRUSA-N 391.475 3.737 0 40 GHAB Cc1nc([C@H]2CCCN(CC(C)C)C2)ncc1C(=O)NCc1ccc(F)cc1 19765448 OCYHNRZTNUBPCH-SFHVURJKSA-N 384.499 3.690 0 40 GHAB OCCOc1ccc(NCc2noc(-c3ccccc3)n2)c(C(F)(F)F)c1 153822863 RDHQYPGBDFKOTI-UHFFFAOYSA-N 379.338 3.739 0 40 GHAB O=C(Cc1cscn1)N(C[C@@H]1CCCO1)c1ccc(Br)cc1 622789009 YMXWAJUJRPULQJ-HNNXBMFYSA-N 381.295 3.660 0 40 GHAB C[C@H]1CCCCN1CCC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 19496364 QEAQZSNSEQIBTP-KRWDZBQOSA-N 380.536 3.788 0 40 GHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 3338651 IAVDYRSSNHTRMX-AWEZNQCLSA-N 375.852 3.546 0 40 GHAB O=C(O)c1ccccc1S[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 3308028 ISKZGTXVDQEWJU-AEFFLSMTSA-N 391.514 3.767 0 40 GHAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCCC2)cc1OC 8986901 GFCQUAWYVGFIOF-UHFFFAOYSA-N 391.471 3.852 0 40 GHAB CCN(C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1)c1ccccc1 6647911 MYHUXMDYXSREBH-UHFFFAOYSA-N 399.472 3.899 0 40 GHAB Cc1nc(C(F)F)cc(N2CCN(c3nc4c(C)cccc4s3)CC2)n1 1888888338 RVDOICODBZXTPD-UHFFFAOYSA-N 375.448 3.967 0 40 GHAB COc1cc2ncnc(N3CCC[C@H](COc4ccnc(C)c4)C3)c2cc1OC 1889213078 RMOPFRTZBFMFGR-INIZCTEOSA-N 394.475 3.646 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(Br)c1 11083248 AHYZTTAHHQAZOQ-UHFFFAOYSA-N 384.277 3.966 0 40 GHAB O=C1COC[C@]2(CCN(Cc3ccc(Cl)cc3F)C2)CN1c1ccccc1 2037983664 BPPZPKFEWONATR-NRFANRHFSA-N 388.870 3.735 0 40 GHAB CC(=O)c1cccc(NC(=O)Cn2nc(-c3cc(C)c(C)cc3C)ccc2=O)c1 5410437 DNAPKCNBRZXDII-UHFFFAOYSA-N 389.455 3.677 0 40 GHAB COc1cc(C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc(OC)c1OC 5441733 KQDKABAFFOTODO-UHFFFAOYSA-N 398.459 3.790 0 40 GHAB O=C(Cc1csc(SCC(=O)c2cccs2)n1)NCc1ccco1 12444128 UZGCDXAOEYHIIX-UHFFFAOYSA-N 378.500 3.632 0 40 GHAB CCN(CC)CCN(C(=O)c1ccnn1C)c1nc2c(C)ccc(C)c2s1 13655158 PGCMCGIUCUHLNL-UHFFFAOYSA-N 385.537 3.635 0 40 GHAB Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)ccn1 1775968073 NFHCIVBPYFHQKE-UHFFFAOYSA-N 380.897 3.523 0 40 GHAB COc1ccc(OC)c(-c2csc(-c3nnn(-c4ccccc4)c3N)n2)c1 33265143 QJFZCTGUXNIWOO-UHFFFAOYSA-N 379.445 3.657 0 40 GHAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1ccc(F)cc1)Nc1ccccc1 101113883 XCZYPUJGIRUGNC-LHLOQNFPSA-N 388.402 3.650 0 40 GHAB O=C(COc1ccccc1F)NC[C@@H](O)c1ccc(-c2cccs2)s1 585147878 FMNYUVVODCTNLS-CYBMUJFWSA-N 377.462 3.844 0 40 GHAB CC(=O)N[C@@H](C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1CCCC1 40071988 WKFHDACGISYEQU-XZOQPEGZSA-N 376.500 3.856 0 40 GHAB O=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1COc2ccccc2C1 40094296 CHTIRGYHCNCHLB-QGZVFWFLSA-N 378.403 3.881 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)C1 40106039 FDWPYDFMGNWZBL-IXDOHACOSA-N 379.566 3.792 0 40 GHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCCN1CCC[C@H](C)C1 40108093 QPSNCBNUXLXQIX-AWEZNQCLSA-N 379.570 3.893 0 40 GHAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 36613696 BACCCAVQOZOASU-LLVKDONJSA-N 393.422 3.870 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2Cl)CC1 780459 UVFGFADMTMGHQV-UHFFFAOYSA-N 386.835 3.560 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)c(C)c1 4895542 FKPWBKBQKHWJPT-UHFFFAOYSA-N 395.482 3.771 0 40 GHAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O)cc1 6947865 XPHKAMNPUZUUDM-RGVLZGJSSA-N 386.249 3.699 0 40 GHAB Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 6959437 MGEAOSSSTUNPPW-UHFFFAOYSA-N 392.528 3.683 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 7882370 SECVRNQBOMYDCP-NSHDSACASA-N 379.243 3.994 0 40 GHAB CC1CCN(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1 32759350 HJVJZZQLEFEQQE-LJQANCHMSA-N 376.547 3.672 0 40 GHAB O=C(c1ccccc1)[C@H](Sc1nnnn1C[C@H]1CCCO1)c1ccccc1 32828863 BQNPYKWJKGJBSV-IEBWSBKVSA-N 380.473 3.568 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)OCc3nc4ccccc4nc3C)CC2=O)cc1 32957435 CDAOUUBIPQBEFD-KRWDZBQOSA-N 389.455 3.597 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 2622313 ANPYVRRUOIJLFY-UHFFFAOYSA-N 399.516 3.770 0 40 GHAB C[C@H](NC(=O)c1c(Br)c(C(F)(F)F)nn1C)[C@@H]1C[C@H]2CC[C@H]1C2 102626542 KHLWMNDVTGHUOK-XKNYDFJKSA-N 394.235 3.756 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(F)c(Cl)c1 2632967 XUUMFADXAZFHBP-UHFFFAOYSA-N 383.128 3.952 0 40 GHAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1csc(-c2ccccc2Cl)n1 22143657 QHHKNVLFCFXDOB-UHFFFAOYSA-N 397.909 3.889 0 40 GHAB CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(O)cc3)N2C1=O 22204835 PUKFGUIUJXFUQA-CTNGQTDRSA-N 389.455 3.952 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)o1 53642906 RXMQDYMXXZLCCM-VQIMIIECSA-N 393.487 3.778 0 40 GHAB C[C@@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-n2ccnc2)cc1 8012695 MSSLBDVYBPIQMK-VGOFRKELSA-N 391.471 3.921 0 40 GHAB Cc1sc2ncn(CCC(=O)OCc3nc4ccccc4s3)c(=O)c2c1C 23441903 GLPWHFFYXMWPBC-UHFFFAOYSA-N 399.497 3.818 0 40 GHAB CCCc1nn(C)c(-c2nn3c(-c4cccc(F)c4)nnc3s2)c1Cl 1018184 JDUSXUZEJTWIID-UHFFFAOYSA-N 376.848 3.998 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Nc1nncs1 43137806 WVYVPULEASORFG-UHFFFAOYSA-N 390.900 3.717 0 40 GHAB COC(=O)c1cc(NC(=O)c2cc3ccc(F)cc3nc2C)cc(C(=O)OC)c1 24759159 LVDCFLPFUJORLO-UHFFFAOYSA-N 396.374 3.508 0 40 GHAB COc1ccccc1-n1nnnc1SCc1nc2cc(Cl)ccc2n1C 43242173 HJIOYESMCRTKDV-UHFFFAOYSA-N 386.868 3.503 0 40 GHAB Cn1c(CSc2nnnn2Cc2cccs2)nc2cc(Cl)ccc21 43242462 JOVGVYPBYAWVSB-UHFFFAOYSA-N 376.898 3.615 0 40 GHAB COC(=O)c1sccc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 24828574 KGLIIMNTOJGDCK-UHFFFAOYSA-N 396.428 3.637 0 40 GHAB C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCN(c2ccc(F)cc2)CC1 57291678 GAFTZKSGAXIKEE-AWEZNQCLSA-N 384.480 3.585 0 40 GHAB CN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)[C@H]1CCc2ccccc21 26915767 GEJBGIFHWLEVMX-SFHVURJKSA-N 396.491 3.727 0 40 GHAB CC(C)(C)c1cnc(CN(CCO)Cc2cc(Br)ccc2F)o1 57842247 ZOKVOLLDPPHJNS-UHFFFAOYSA-N 385.277 3.868 0 40 GHAB CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)c1ccc(OC)cc1 20107755 AXCQPOJALPDJES-INIZCTEOSA-N 396.896 3.601 0 40 GHAB O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 10053610 IUPDAQUTNGJXRP-DLBZAZTESA-N 391.389 3.939 0 40 GHAB CN(Cc1ccc(Cl)s1)C(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1 44736615 ZXDLMWQZPIUMEF-MRXNPFEDSA-N 382.888 3.573 0 40 GHAB COc1cc2c(c3oc(=O)c(CCC(=O)n4ccnc4)c(C)c13)CCC(C)(C)O2 12663597 NLMZARAILVBNBG-UHFFFAOYSA-N 396.443 3.683 0 40 GHAB biogenic COc1cc(-c2nn3c(Cc4ccccc4C)nnc3s2)cc(OC)c1OC 2182913 WDIAPHLSAWAFLY-UHFFFAOYSA-N 396.472 3.778 0 40 GHAB C[C@@H](OC(=O)c1cc2sc(Nc3ccccc3)nc2s1)C(=O)NC1CC1 10712254 FUNAZJHCCQCZGI-SNVBAGLBSA-N 387.486 3.925 0 40 GHAB COc1cc(C)c(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)cc1OC 12789829 KMVUUMBHPNZEOQ-LJQANCHMSA-N 388.439 3.544 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)o2)cc1 3459078 YTDYYUYQOGNGAO-UHFFFAOYSA-N 377.372 3.754 0 40 GHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(-c3ccc(Cl)cc3)cs1)CS2 3448964 PWXXXHROFLPDSS-CXAGYDPISA-N 393.921 3.856 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccsc2c(=O)n1C 26099159 FRTGLCCNVNQYHR-UHFFFAOYSA-N 379.894 3.688 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 12948503 HYPTXPCQIIDJJU-INIZCTEOSA-N 399.447 3.870 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)cc2NC1=O 12939182 CHAZRCUBCRUQPP-HIFRSBDPSA-N 398.484 3.929 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 13019995 GTMPZSSQVTZJQE-HXUWFJFHSA-N 393.443 3.556 0 40 GHAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c(OC)c1OC 13018051 KFWMCFDMOHAXBP-LBPRGKRZSA-N 395.402 3.734 0 40 GHAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)N1CCC(Cc2ccccc2)CC1 8323917 XGOZCOKHPKQWQQ-MRXNPFEDSA-N 399.564 3.750 0 40 GHAB O=C(COC(=O)c1ccccc1O)NCCC(c1ccccc1)c1ccccc1 5077893 BPAYWYPVDODLDI-UHFFFAOYSA-N 389.451 3.887 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1OC 6308717 JYMUSQOPSQDWCD-SOFGYWHQSA-N 386.473 3.967 0 40 GHAB CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2ccccc2)CC1 4491360 BHETWELOOMUKEI-UHFFFAOYSA-N 380.488 3.612 0 40 GHAB COc1cccc(N2CCN(c3ncnc4c3[nH]c3ccc(F)cc34)C[C@H]2C)c1 6499374 LKIZLUUZCMZBLW-CQSZACIVSA-N 391.450 3.974 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 6552853 CJPJRCOJBLQUIN-UHFFFAOYSA-N 383.835 3.671 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cnc2ccccc2n1 6646378 UTFPSYGLVQWPGU-UHFFFAOYSA-N 390.424 3.777 0 40 GHAB CCCCOc1ccc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1OC 62715653 DAJOWGNTTIZYQK-XSSIKURBSA-N 397.471 3.699 0 40 GHAB C[C@H]1CCN(C(=O)COC(=O)c2n[nH]c3ccccc23)c2ccccc2S1 4822962 ISTORLYGCFJOOF-ZDUSSCGKSA-N 381.457 3.637 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc3c(s2)CCC3)ccc1C 4950236 LWNGLBAUHOAQOZ-UHFFFAOYSA-N 392.546 3.828 0 40 GHAB Cc1cc2nc(SCC(=O)N(C)c3ccccc3)n(CCC(C)C)c(=O)c2[nH]1 67238085 CDOQJAGRXZRVCK-UHFFFAOYSA-N 398.532 3.834 0 40 GHAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cc(Cl)c3c(c1)OCCCO3)C2=O 7084188 QQLUIGFEOFMOAQ-CWTRNNRKSA-N 378.856 3.502 0 40 GHAB O=C(CSc1nnc(NC2CC2)s1)N1CCC(Cc2ccccc2)CC1 7577363 VOZOJERGLDYZJK-UHFFFAOYSA-N 388.562 3.686 0 40 GHAB Cc1cccc2nc(CSc3nnc(-c4cccs4)n3C3CC3)cc(=O)n12 7763494 OFQBOHGGUVBDQA-UHFFFAOYSA-N 395.513 3.950 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)NCCCc3ccccc3)c(C)c2c1 7737198 PIUJBFNPBOWRIT-UHFFFAOYSA-N 381.428 3.656 0 40 GHAB Cc1ccc2ncc(CN3CCC[C@@H](CNC(=O)Nc4cccc(F)c4)C3)n2c1 92709065 FJRRNQLOPAECJV-KRWDZBQOSA-N 395.482 3.816 0 40 GHAB Cn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccco1 9364610 JJXPVNJRVOFNMT-UHFFFAOYSA-N 384.248 3.508 0 40 GHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(Cl)c2c(c1)OCCCO2 9337306 FUNJVWPGZRKGNS-UHFFFAOYSA-N 386.835 3.880 0 40 GHAB COc1cc2oc(=O)c(CC(=O)Nc3ncc(C)s3)c(C)c2cc1Cl 9306372 LZIQNHDATFFYIT-UHFFFAOYSA-N 378.837 3.710 0 40 GHAB Fc1ccc(C2(c3nnc([C@H]4COc5ccccc5O4)o3)CCOCC2)cc1 71889823 NONWZQWJCUUUJW-GOSISDBHSA-N 382.391 3.818 0 40 GHAB CC(C)(C)n1/c(=N/C(=O)CC[C@@H]2Cc3ccccc3NC2=O)[nH]c2ccccc21 84325723 VNLYACUHLMUBHE-MRXNPFEDSA-N 390.487 3.743 0 40 GHAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1nc(Cc2ccccc2)no1 79022596 IWHGORSPTOGCDV-XGWLTEMNSA-N 383.398 3.920 0 40 GHAB Cc1nc(CN2CCO[C@@H](c3nc4ccc(-c5ccccc5)cn4n3)C2)cs1 306130918 JSQADVWVZPVNFW-LJQANCHMSA-N 391.500 3.735 0 40 GHAB COc1ccc(OC)c(CN2C[C@@H](N(C)C)[C@H](c3cn(C)c4ccccc34)C2)c1 72395144 HWOFHQLONWHTHB-JTHBVZDNSA-N 393.531 3.725 0 40 GHAB CCn1nc(C)c2c(C(=O)Nc3ncc(Br)s3)cc(C)nc21 32502442 RPOTUCIZDHAQCR-UHFFFAOYSA-N 380.271 3.539 0 40 GHAB CN(C)[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccs1 40043171 CGPDEKYZAPTGEI-GOSISDBHSA-N 398.507 3.594 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(Cl)cc3)n2)cc1C 41254972 AOAVZLIITYHUEG-UHFFFAOYSA-N 395.890 3.887 0 40 GHAB Cc1cccc(CN(C(=O)COc2ccccc2C)[C@@H](C)C(=O)NC(C)C)c1 225496499 PBJIVWSEJDSBMD-IBGZPJMESA-N 382.504 3.624 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)ccc1C 223493715 OKUOAYFWYKOXND-INIZCTEOSA-N 375.490 3.746 0 40 GHAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1cccc(C)c1 223500259 FHIAJHKZWHSPCA-NRFANRHFSA-N 398.572 3.824 0 40 GHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(CC)c2)ccc1Cl 223685868 AICIMSQRZRHOCT-UHFFFAOYSA-N 397.880 3.889 0 40 GHAB Fc1cc(Br)ccc1-c1nn2c(-c3ccccn3)nnc2s1 49548585 JFUCURMCZQAIBU-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)COc1ccc(Cl)cc1 45890212 GMNAKOPOIJMACA-UHFFFAOYSA-N 376.869 3.870 0 40 GHAB COC(=O)c1ccccc1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225808880 VTQUSIFIZATVHD-UHFFFAOYSA-N 385.807 3.748 0 40 GHAB CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1cc(Cl)ccc1Cl 224930922 TZYOUFJYTFIWIG-UHFFFAOYSA-N 388.272 3.995 0 40 GHAB Cc1cccc(-c2noc(CNC(=O)Cc3cccc(Br)c3)n2)c1 225623458 INRGTNMABGAJEM-UHFFFAOYSA-N 386.249 3.666 0 40 GHAB 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Cc1cc(=O)c(C(=O)NCCc2ccc(C(C)C)cc2)nn1-c1ccccc1 12936697 LTHZWCWOYDWJCC-UHFFFAOYSA-N 375.472 3.637 0 40 GHAB O=C(O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 13078339 ABUDAGWUSKANMQ-UHFFFAOYSA-N 379.743 3.858 0 40 GHAB COc1ccc(/C=C/C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1OC 7830934 CZNGQWNQGAUANT-ZRDIBKRKSA-N 377.444 3.561 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 13725622 ITURNFBCLYLSAQ-KRWDZBQOSA-N 395.890 3.990 0 40 GHAB COCc1c(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)oc2ccccc12 5199139 VAOIMUZBBWGLFL-LJQANCHMSA-N 393.439 3.930 0 40 GHAB C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccc(-n2cncn2)cc1 5245877 MIESTBONVIFKLP-GFCCVEGCSA-N 375.259 3.994 0 40 GHAB Cc1cnc(C(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)cn1 6348948 KWEZJGHOFUTBPM-NRFANRHFSA-N 380.375 3.889 0 40 GHAB O=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2 6460971 VYDJGDDIWSWVMW-UHFFFAOYSA-N 389.407 3.972 0 40 GHAB C[C@H]1CCc2ccccc2N1C(=O)CN1CCC(C(=O)Nc2ccccc2)CC1 14140676 JAGYAIVVJVZOOD-SFHVURJKSA-N 391.515 3.705 0 40 GHAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCC(CCc3ccccc3)CC1)C2=O 14201603 SNKMDNGSRAIBSX-MBSDFSHPSA-N 383.536 3.789 0 40 GHAB O=C(Nc1ccc(F)cc1F)N1CCN(C(=O)Nc2ccc(F)cc2F)CC1 6595114 LOZUZVUNAPEHHI-UHFFFAOYSA-N 396.344 3.625 0 40 GHAB O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1cccs1 17249127 GCEVZWSXSWVMCX-UHFFFAOYSA-N 386.458 3.697 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)c1nc(C(F)(F)F)nc2ccccc12 83859364 GZQNZLBTBPPFFX-LBPRGKRZSA-N 375.350 3.925 0 40 GHAB COc1cc(C(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc(OC)c1OC 8587488 DFSTZZLXPULTBV-UHFFFAOYSA-N 383.404 3.632 0 40 GHAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc2c(=O)[nH]c(S)nc2c1 69844831 OABKFUBZVHIRLC-MRXNPFEDSA-N 385.876 3.746 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 8729126 NKOGXINVFBBONW-MNOVXSKESA-N 389.839 3.507 0 40 GHAB CC[C@@H](C)c1ccc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 8890020 JBNISZQBZIWBMX-CMJOXMDJSA-N 376.456 3.776 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(C)c3C)C2=O)cc1C 9233327 CZDLPFVGKWCACM-VCHYOVAHSA-N 397.500 3.934 0 40 GHAB CCCn1c(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)nc2ccccc21 9338140 JZJZJUKTCFJYBG-MRXNPFEDSA-N 382.489 3.751 0 40 GHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccnn2Cc2ccc(F)cc2)c1 97164576 BUUYNWPBXRKWHY-CQSZACIVSA-N 395.438 3.912 0 40 GHAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)n[nH]1 95475545 OWZYGQSHINERNJ-UHFFFAOYSA-N 391.479 3.689 0 40 GHAB Cc1cccc(-c2nc(CC(=O)N3CC[C@@H](Oc4cccnc4)C3)cs2)c1 79110861 YAMIEDGYYHSEHI-LJQANCHMSA-N 379.485 3.736 0 40 GHAB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1)C(=O)c1ccccc1 408658108 UVRUZKKIERGUDG-ICSRJNTNSA-N 379.456 3.861 0 40 GHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32843236 JFLYRROPNGQKOE-YLSHDAJPSA-N 384.495 3.763 0 40 GHAB Nn1c(SCc2ccc(Cl)cc2)nc2ccc(Br)cc2c1=O 71768775 CLBYGDMGWWFTNS-UHFFFAOYSA-N 396.697 3.819 0 40 GHAB O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)Nc1ccccc1F 71327980 RFSBZTPZIKTZNX-UHFFFAOYSA-N 379.435 3.756 0 40 GHAB Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@H]2COc4ccccc4O2)C3)cs1 539032747 JJRPPMYRJZNDSA-KRWDZBQOSA-N 398.509 3.905 0 40 GHAB CCOC(=O)N1CCC(C(=O)N[C@H](CC)C23CC4CC(CC(C4)C2)C3)CC1 36752622 IMRFZOUZWYSDOW-PQGQHUGISA-N 376.541 3.966 0 40 GHAB CCCC[C@H](CC)CNS(=O)(=O)c1cc(Br)ccc1OC 70139654 CECLVHVVCRTKAZ-LBPRGKRZSA-N 378.332 3.952 0 40 GHAB Cc1ccc2c(c1)C(=O)CC1(CCN(CC(=O)Nc3ccccc3F)CC1)O2 72341807 CTAJEULIDVKCQA-UHFFFAOYSA-N 382.435 3.573 0 40 GHAB O=C(Nc1nnc(SCCN2CCCCC2)s1)c1c(F)cccc1F 35316098 PZWZXRFSQQSLFY-UHFFFAOYSA-N 384.477 3.647 0 40 GHAB c1cncc(-c2nc(N3CCN4CCCC[C@@H]4C3)ncc2-c2ccsc2)c1 72396681 FWYYTKHIZUXMHY-GOSISDBHSA-N 377.517 3.942 0 40 GHAB O=C(O)CCCNC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21 40309560 LWFNHSKLQBBASZ-UHFFFAOYSA-N 380.444 3.591 0 40 GHAB biogenic Cc1cnc(C2CCN(C(=O)Nc3cccc([C@H]4CCC(=O)N4)c3)CC2)s1 573345465 ZYWKSCIDZXHJKS-QGZVFWFLSA-N 384.505 3.814 0 40 GHAB CC1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)CC1 224168223 SUQZZCTYWGAOEA-UHFFFAOYSA-N 390.480 3.523 0 40 GHAB Cc1cc(C)nc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)n1 225999906 MDBLGFULHJPHSE-UHFFFAOYSA-N 390.940 3.782 0 40 GHAB O=C(NCc1ncoc1-c1ccccc1)N1CC2(CCC2)[C@@H]1C1CCOCC1 571316680 HKROCFXDLDVIJI-FQEVSTJZSA-N 381.476 3.832 0 40 GHAB CC[C@@H](C)NC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Br 227159134 SIUXILHQIRPAPR-GFCCVEGCSA-N 380.286 3.707 0 40 GHAB Cc1cccc(O[C@H](Cc2ccc(I)cc2)C(=O)O)c1 225067532 ZWHPNXWRJGYFND-OAHLLOKOSA-N 382.197 3.674 0 40 GHAB CCCCN(C)C(=O)[C@H](C(=O)c1ccc(Cl)cc1Cl)n1ccccc1=O 199425681 AZMAPSVCYYCUGV-KRWDZBQOSA-N 395.286 3.838 0 40 GHAB O=C(Cc1cc2ccccc2c(O)n1)N1CCC(c2ncccc2Cl)CC1 576550524 QAGCZBGBZTYMDE-UHFFFAOYSA-N 381.863 3.938 0 40 GHAB O=C(NCCc1ccccc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1c1nc(O)c2ccccc2n1 253500853 GBEAYLZWZNFPJY-PZBISTMVSA-N 385.467 3.600 0 40 GHAB Cc1nc([C@]2(C)CCCN(Cc3ccccc3OCC(=O)O)C2)c2sccn12 257221960 DRHIZHMUOZKDDD-OAQYLSRUSA-N 399.516 3.721 0 40 GHAB COC(=O)c1cc(NC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)nn1C 1674229818 KJUONHLWPJTZAY-SECBINFHSA-N 397.262 3.665 0 40 GHAB CC(C)(CNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)[C@]1(O)CCCOC1 657764461 GCURSVOZWKSSKX-IBGZPJMESA-N 397.441 3.753 0 40 GHAB CO[C@@H]1CCCN(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 685691949 GSBYRWAJBRGCIQ-OAHLLOKOSA-N 382.386 3.924 0 40 GHAB Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc4cc[nH]c4c3)CC2)cc1 1262017597 GJVRJWNDEVCIAX-UHFFFAOYSA-N 376.460 3.903 0 40 GHAB Cc1ncc(Br)c(C(=O)NC2(C(C)(C)c3ccc(F)cc3)CC2)n1 1117800784 VXGPQQZYWNABNE-UHFFFAOYSA-N 392.272 3.927 0 40 GHAB CO[C@](C)(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1F 96123595 BLWDBRNTUPYZRR-MRXNPFEDSA-N 391.386 3.685 0 40 GHAB CO[C@@H]1CCN(c2ccc(NC(=O)Cn3cc(-c4ccc(F)cc4)cn3)cc2)C1 96122265 RQQJHWIZKQSBSQ-OAQYLSRUSA-N 394.450 3.553 0 40 GHAB CCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)COc1ccccc1 5027302 JQJSKGLFKBBFHA-UHFFFAOYSA-N 398.459 3.850 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)c1C 5326503 AIEVUXHMMXLYID-UHFFFAOYSA-N 386.448 3.529 0 40 GHAB CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(O)c(OC)c1 5339669 VVTMRLMYQHJQOY-OAQYLSRUSA-N 393.443 3.842 0 40 GHAB COc1ccc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)c(OC)c1 12328265 CRHASQHFOQESJI-UHFFFAOYSA-N 380.448 3.528 0 40 GHAB CCN(Cc1cc(=O)n2c(C)csc2n1)Cc1ccc(Br)s1 12679362 AYAPUTDACBLBDW-UHFFFAOYSA-N 398.351 3.911 0 40 GHAB CCCCCOc1ccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1 13800342 UWYHBVPYWIXINF-LGMDPLHJSA-N 397.525 3.996 0 40 GHAB COc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccccc3C#N)C1=O)OCO2 8114031 PGPJGYMQMQABKT-CNHKJKLMSA-N 394.408 3.532 0 40 GHAB Cc1ccc(-c2cc(=O)[nH]c(N3CCN(c4ccc(Cl)cc4)CC3)n2)cc1 14606940 BUYGKQIRSJAAAM-UHFFFAOYSA-N 380.879 3.725 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cccc(Br)c1 15431861 PDGSSJGBCCZAGC-UHFFFAOYSA-N 381.657 3.779 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 16396242 WJDWZATZHVWLLY-GOSISDBHSA-N 393.531 3.604 0 40 GHAB O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 17357316 BZYXSFYRKRCIPB-UHFFFAOYSA-N 394.443 3.828 0 40 GHAB Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cc2ccccc2F)on1 19121335 USAAPQDZQMUFIF-GOSISDBHSA-N 382.439 3.819 0 40 GHAB Cc1ccccc1[C@H](NC(=O)COc1ccc2nsnc2c1)c1ccncc1 19236902 OSTJJNDFDQITNE-OAQYLSRUSA-N 390.468 3.679 0 40 GHAB CNc1ncc(CN(Cc2ccccc2OC)C2CC(C)(C)NC(C)(C)C2)cn1 19461021 LNTLEPWLWOYNLB-UHFFFAOYSA-N 397.567 3.838 0 40 GHAB CC1CCN(C(=O)c2cc([C@@H]3CCCN(CCc4ccccc4)C3)no2)CC1 19496734 IZYIOWRMQQLHAO-HXUWFJFHSA-N 381.520 3.969 0 40 GHAB CCc1[nH]c(=O)c(C(=O)N(Cc2ccccc2)Cc2ncccc2C)cc1C 19521429 LVNMBIGXMMCFML-UHFFFAOYSA-N 375.472 3.792 0 40 GHAB CCc1[nH]c(=O)c(C(=O)N[C@@H](c2ccncc2)c2ccc(C)c(C)c2)cc1C 19521465 MHAOISWEXVLDQW-NRFANRHFSA-N 375.472 3.777 0 40 GHAB CCn1ncc(-c2cc(C(=O)N3CCCC[C@@H]3CN3CCCCCC3)no2)c1C 19524037 SSAHAQWMQQDMLG-GOSISDBHSA-N 399.539 3.737 0 40 GHAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)CO2 19562380 CUXZTDSPICNBGT-OXJNMPFZSA-N 397.471 3.627 0 40 GHAB COc1ccc2cc3c(nc2c1)OC(=O)N(CCc1ccc(OC)c(OC)c1)C3 19564008 QEVWOICZEMFNSI-UHFFFAOYSA-N 394.427 3.818 0 40 GHAB COc1cccc(C2(NC(=O)c3cc(CN4CCOCC4)c(C)o3)CCCC2)c1 19582520 VLWHVONLMKMMML-UHFFFAOYSA-N 398.503 3.628 0 40 GHAB CCOc1ccc(NC(=O)c2cccc(I)c2)c(N)c1 226347091 RPWHFYQZIHEODT-UHFFFAOYSA-N 382.201 3.524 0 40 GHAB O=C(c1cccc(-n2cccn2)c1)N1CCC(COc2ccncc2Cl)CC1 1889224931 UETNXAAPXAPIKA-UHFFFAOYSA-N 396.878 3.852 0 40 GHAB COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(OCc2ccccc2)cc1 1467264 RTQHBTQXCGPEHF-LJQANCHMSA-N 382.485 3.574 0 40 GHAB CCOC(=O)c1c(NC(=O)c2ccc(C(=O)OC)cc2)sc2c1CCCC2 4079608 KGWLYOKOHUFIIJ-UHFFFAOYSA-N 387.457 3.843 0 40 GHAB CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCC(C)CC3)c(O)n2n1 22853362 DIKYKMXVNGGISZ-KRWDZBQOSA-N 386.521 3.889 0 40 GHAB O=C(c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1)N1CCCC1 101282302 XZVOTZWLPUOBJG-UHFFFAOYSA-N 392.846 3.708 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CN1CCN(c2ccc(F)c(F)c2)C1=O 49026303 BLNFBGLUVRBVRF-UHFFFAOYSA-N 379.794 3.807 0 40 GHAB O=C(c1nc(-c2cccs2)cs1)N1CCN(c2ccc(C3CC3)nn2)CC1 575620731 STLDYWQPGJEXMZ-UHFFFAOYSA-N 397.529 3.501 0 40 GHAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1cncn1-c1ccc(F)cc1 40112589 NCMPJGGSZDVQGA-UHFFFAOYSA-N 375.363 3.846 0 40 GHAB CC[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CCO1 30856798 AOTQWQCOWMAODV-IBGZPJMESA-N 391.471 3.799 0 40 GHAB CCn1c(SCC(=O)N2CCCCC2)nnc1-c1cc2ccccc2cc1O 896742 BVLUNDVKBMTZKF-UHFFFAOYSA-N 396.516 3.928 0 40 GHAB COc1ccc(-c2nnc(N(C)C(=O)c3cccc(OC)c3OC)s2)cc1 1356487 CSEUWUZMAZTVMV-UHFFFAOYSA-N 385.445 3.508 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)NCC(C)C)nnc1-c1ccccn1 1362767 MOADLJCNRZRYFM-UHFFFAOYSA-N 381.505 3.502 0 40 GHAB CCOc1ccc(C(=O)Nc2ccccc2I)cc1OC 6595900 QRNZEOWOCZDVCK-UHFFFAOYSA-N 397.212 3.951 0 40 GHAB CCCCn1nnnc1NCc1cc(Br)c(OCC)c(OCC)c1 7262115 MWPGRRAKZNQIIQ-UHFFFAOYSA-N 398.305 3.645 0 40 GHAB O=C(COc1ccccc1)NCCSCc1ccc(Br)s1 7281456 YMAJUWNARKNFDS-UHFFFAOYSA-N 386.336 3.939 0 40 GHAB CCc1nnc2c(N3CCN(c4ccc(C)cc4C)CC3)nc3ccccc3n12 7504175 BYMIRBGZFVLUBI-UHFFFAOYSA-N 386.503 3.783 0 40 GHAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccnc3)cc2)cc1 10041171 RHCFIJVKWYJPBR-UHFFFAOYSA-N 375.380 3.649 0 40 GHAB Cc1cnc2c(S(=O)(=O)NCc3ccccc3OC(F)(F)F)cccc2c1 29353874 ZYZYRPCZJKIHJM-UHFFFAOYSA-N 396.390 3.920 0 40 GHAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NC[C@H](c1ccccc1)N1CCCC1 32217576 RGJSPRCZJBXLKW-YAOQVBECSA-N 386.499 3.839 0 40 GHAB COc1ccccc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1 8121034 VEBDBNALTFARMH-UHFFFAOYSA-N 376.412 3.965 0 40 GHAB CC(=O)Nc1cc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)ccc1F 60355497 DTUHGSGHTCQGCC-UHFFFAOYSA-N 385.370 3.551 0 40 GHAB COCCCNC(=O)c1c(NC(=O)[C@H]2CC=CCC2)sc2c1CCCC2 24641182 ZKOLNBQVXSWSRW-AWEZNQCLSA-N 376.522 3.688 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)cc1 9198592 KWUOFOCTZRVSOH-UHFFFAOYSA-N 397.456 3.890 0 40 GHAB CCc1ccc(CNC(=O)CCn2nc(-c3cccc(Cl)c3)ccc2=O)cc1 41253621 JECIYKZFEOUKFA-UHFFFAOYSA-N 395.890 3.833 0 40 GHAB Cc1nc2ccccc2nc1COC(=O)c1cccc(OC[C@H]2CCCO2)c1 32903167 RZHHUUPBQIMYNR-GOSISDBHSA-N 378.428 3.853 0 40 GHAB CC(C)Cn1c(SCC(=O)N(C)C2CCCCC2)nc2ccccc2c1=O 2636764 SQNUZCSKURDRGL-UHFFFAOYSA-N 387.549 3.936 0 40 GHAB Cc1sc(NC(=O)c2ccccc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11904295 ZNKBOFXXQOCQFJ-UHFFFAOYSA-N 379.441 3.726 0 40 GHAB CNC(=O)Nc1ccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)cc1 32903321 BESJMTOGMZQSPU-UHFFFAOYSA-N 381.354 3.769 0 40 GHAB Cc1cc(CN2CCN(c3ncnc4sc(-c5ccccc5)cc34)CC2)no1 57516854 WLPLGJZDLOIIEE-UHFFFAOYSA-N 391.500 3.977 0 40 GHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)C1CCN(Cc2ccccc2)CC1 47306237 CAPUTMNRZWCYSX-OAQYLSRUSA-N 377.532 3.541 0 40 GHAB CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1OC 12556145 QXLVLYVPGZXRTM-HRAATJIYSA-N 382.460 3.839 0 40 GHAB CC[C@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)N1CCCC1 24800816 PTXDHLWKTIZAOS-OAHLLOKOSA-N 378.879 3.577 0 40 GHAB Cc1sc2nc(CSc3nnc(Cc4ccccc4)n3C)nc(N)c2c1C 24908544 XMCOFIIHFFTAPC-UHFFFAOYSA-N 396.545 3.902 0 40 GHAB O=C1N=C(O)[C@@]2(Cc3cccc(F)c3N3CCCC[C@H]32)C(=O)N1c1ccccc1 25185084 QTDAMFATORMQAT-JTSKRJEESA-N 393.418 3.850 0 40 GHAB C[C@H]1CN(c2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@H](C)O1 55680452 HEWZYHVNASYFBV-KBPBESRZSA-N 397.500 3.597 0 40 GHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(-c2nc(C)no2)cc1 25277554 BCMNJLNWROUHCS-UHFFFAOYSA-N 393.403 3.740 0 40 GHAB C[C@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1Cl 57460507 MFPCXKGNEOPWDG-LBPRGKRZSA-N 390.274 3.863 0 40 GHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 1934503 AOJQAKVRKTWCCW-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB CCn1cc2ccc(NC(=O)[C@@H](NC(=O)c3cccc(C)c3)C(C)C)cc2n1 58023047 CEMDHJQRTDRTKW-FQEVSTJZSA-N 378.476 3.758 0 40 GHAB CC(C)(CNC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1 58167181 BVMGRKNMZLIWPM-UHFFFAOYSA-N 395.837 3.834 0 40 GHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCc1ccco1 2150481 UPAKTFDDJLPFCH-UHFFFAOYSA-N 375.380 3.748 0 40 GHAB biogenic COc1ccc(C(=O)[C@@H](C)Sc2nnc(N3CCCC3)s2)cc1OC 58200975 DTJGMBJBPCCRTH-LLVKDONJSA-N 379.507 3.519 0 40 GHAB Cc1cc(C)c(CNC(=O)c2ccccc2OCc2ccc(F)cc2)c(=O)[nH]1 10458377 WLCAWYOJPOWNCC-UHFFFAOYSA-N 380.419 3.640 0 40 GHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccsc2)cc1 10447248 NJWSZYWQPGCAHL-UHFFFAOYSA-N 386.498 3.821 0 40 GHAB O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc2[nH]cnc2c1 10425634 KDBDUJRVEAMDSW-UHFFFAOYSA-N 377.444 3.576 0 40 GHAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 27989338 JEXVPPHJDVYMIJ-KRWDZBQOSA-N 399.393 3.893 0 40 GHAB CCn1c(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)nc2ccccc21 10651727 WTHBEWQFXWWNNH-UHFFFAOYSA-N 395.444 3.539 0 40 GHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCCC[C@H]2C)c(OC)c1 36397789 AKUFQBOBSQPHMT-GOSISDBHSA-N 396.531 3.937 0 40 GHAB CC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2C1=O 2329924 VRSNIPBHIDGBML-NRFANRHFSA-N 398.462 3.967 0 40 GHAB O=C(Nc1ccc(F)cc1)N1CCN(CCOc2ccccc2Cl)CC1 12844983 FRIYHMOGHUPQFJ-UHFFFAOYSA-N 377.847 3.708 0 40 GHAB C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)c1ccc(Br)cc1 3421253 ZXARAFBTDGNKLZ-ZETCQYMHSA-N 394.216 3.960 0 40 GHAB O=C(C1CC1)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CCC3)c12 306123480 AOMCVQHLLFSAPD-UHFFFAOYSA-N 377.488 3.970 0 40 GHAB CC(C)[C@H](NC(=O)Cn1nnc(-c2cccc(Cl)c2)n1)c1cccs1 12996967 KIQPLLYANUQBKX-INIZCTEOSA-N 375.885 3.569 0 40 GHAB CCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 7723858 XVMRQFHHSIXZES-HNNXBMFYSA-N 382.526 3.635 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 7947292 UQGLUEANKMUXFA-ZDUSSCGKSA-N 398.937 3.749 0 40 GHAB CCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 5177733 ZLUJPNFYERCGQF-MDRMPYQZSA-N 378.472 3.731 0 40 GHAB O=C(c1ccccc1F)N1CC[C@]2(C1)Cn1c(-c3cccc(F)c3)cnc1CO2 306139551 TTWDKXAPJWBENT-QFIPXVFZSA-N 395.409 3.643 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(CCCN(C)C)C3=O 16750767 GIKKVVXHBFDOOS-FQEVSTJZSA-N 394.446 3.737 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)c(C)c2c1 4524924 CRNHRILJKJYFHD-UHFFFAOYSA-N 397.471 3.992 0 40 GHAB Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1CCc1cccs1 5428570 UTCGKAUMNBUTIB-UHFFFAOYSA-N 391.500 3.946 0 40 GHAB CCc1ccc2nc(NC(=O)Cc3csc(N4CCCC4=O)n3)sc2c1 6590051 WOOSUVFDSAKZQL-UHFFFAOYSA-N 386.502 3.623 0 40 GHAB CC(C)c1ccc(-c2cc(C(=O)NN3CCN(C)CC3)c3ccccc3n2)cc1 4614562 UJVXVFYZZYIRIW-UHFFFAOYSA-N 388.515 3.917 0 40 GHAB NC(=O)N[C@H](CC(=O)NCCCn1ccc2ccccc21)c1ccc(Cl)cc1 8232685 CPWQDWTYFPTEAZ-GOSISDBHSA-N 398.894 3.601 0 40 GHAB COc1ccc(CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 14705959 FZDVAUNGOVDJIC-QGZVFWFLSA-N 382.485 3.876 0 40 GHAB O=C(CSc1nc2sccc2c(=O)n1-c1ccccc1)NC1CCCC1 6907557 MLYZTGSULMIRSB-UHFFFAOYSA-N 385.514 3.598 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(Sc3nccn3C)cc2)cc1OC 8709979 WERXZYCDFCRVEA-UHFFFAOYSA-N 383.473 3.770 0 40 GHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(F)cc2F)c(F)c1F 408627151 KUNBCDKZIXJNNW-UHFFFAOYSA-N 394.296 3.657 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 9356421 CELAZPIHZPIZSI-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB CSCC[C@H](NC(=O)c1cncn1-c1ccccc1)c1nc2ccccc2[nH]1 9883505 YIBKDACWVOQZTR-SFHVURJKSA-N 391.500 3.973 0 40 GHAB Cc1ccc(C[C@@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2)c2ccccn2)cc1 72286379 KUKSZDCJJCFVJW-HXUWFJFHSA-N 395.409 3.707 0 40 GHAB COCc1ccc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1 97102765 BGOXGIABPXYPNX-MSOLQXFVSA-N 380.271 3.870 0 40 GHAB O=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)C12CC3CC(CC(C3)C1)C2 84334785 FPSGZCMLFHTEPV-UHFFFAOYSA-N 380.410 3.925 0 40 GHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N[C@@H]1C[C@H]1c1cccc(F)c1 84372269 XBDWYXIHXSXBAV-DOTOQJQBSA-N 390.842 3.996 0 40 GHAB Cc1cccc(OCCCC(=O)Nc2ccncc2I)c1 95413740 DGBBWUPFXLAEOZ-UHFFFAOYSA-N 396.228 3.792 0 40 GHAB O=C(C1=Cc2cc(Cl)ccc2OC1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 95451201 VZHNWPBGKHTNAS-YJBOKZPZSA-N 391.801 3.729 0 40 GHAB COc1ccc(C)nc1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 95963063 HUMXHIWXTFDMNP-UHFFFAOYSA-N 376.338 3.855 0 40 GHAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1ccc(C(N)=O)cc1 1547208594 TVEITXHLANISSN-UHFFFAOYSA-N 376.441 3.676 0 40 GHAB Cc1ccc(Nc2nc(N3CCOCC3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1C 32603937 VKLXVCHEGKCMII-IYBDPMFKSA-N 396.539 3.551 0 40 GHAB CC[C@H](c1ccccc1)S(=O)(=O)NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 529019630 IDCQIZOFFDBAPP-CEXWTWQISA-N 375.465 3.917 0 40 GHAB C[C@H]1Cc2cc(Br)cc3c(=O)c(C(=O)NCc4ccccc4)cn1c23 33089161 SBSAKCNTXAUWMC-LBPRGKRZSA-N 397.272 3.811 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 219720655 ZUCJWUACUBLVMB-GOSISDBHSA-N 388.533 3.582 0 40 GHAB O=C(CCCN1C(=O)c2cccc3cccc1c23)N1CCN(c2ccccc2)CC1 219454607 MZYOFMLMZGWZST-UHFFFAOYSA-N 399.494 3.929 0 40 GHAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@H](c2nnc(-c3ccsc3)o2)C1 72390533 SUPPRBIPJQVNCU-NSHDSACASA-N 395.893 3.630 0 40 GHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC[C@H]1COc2ccccc2O1 225267498 FFRIVFBORPHCFX-PMACEKPBSA-N 377.440 3.953 0 40 GHAB Cc1cccc(OCCNC(=O)COc2ccc(Br)c(C)c2)c1 224241638 TXXBKGZFNUPODN-UHFFFAOYSA-N 378.266 3.640 0 40 GHAB O=C(COC1CCCCC1)Nc1ccnn1Cc1ccc(Br)cc1 44354603 GHIDIBMVNQQXCM-UHFFFAOYSA-N 392.297 3.982 0 40 GHAB COCc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 225189082 VDQXAZCEZZLLLN-ZHZULCJRSA-N 376.412 3.836 0 40 GHAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(CN3CCOCC3)cc2)c1 44916231 RDJFHUCNCHLUCG-UHFFFAOYSA-N 396.531 3.669 0 40 GHAB CCOc1ccc([C@]2(C)NC(=S)N(c3ccc(Br)cc3)N2)cc1 225344505 KMODXXYFQUEOCA-QGZVFWFLSA-N 392.322 3.920 0 40 GHAB COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1cccc(N2CCCC2=O)c1 48183138 IGFMOIRXOJWXHC-MRXNPFEDSA-N 381.476 3.691 0 40 GHAB COc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cc1OC 199427049 DPZGREKQMWWFTH-IBGZPJMESA-N 382.504 3.545 0 40 GHAB COc1cccc(CN2CCCN(C(=O)c3ccccc3Cl)CC2)c1OC 92452784 VGURWMWPEWMUQW-UHFFFAOYSA-N 388.895 3.705 0 40 GHAB O=C(CCn1ncc2ccc(Cl)cc21)Nc1ccc(N2CCOCC2)cc1 96181951 XPWWQOBLVYOHPH-UHFFFAOYSA-N 384.867 3.555 0 40 GHAB Cc1cc([C@@H]2CCCCN2C(=O)c2cscn2)nc(-c2c(C)noc2C)n1 257289877 QAOBUTOKKPGVDH-INIZCTEOSA-N 383.477 3.881 0 40 GHAB CC(C)N1CCC(c2cnc(N3C(=O)OC[C@@H]3Cc3ccccc3)cn2)CC1 257254034 KBHFMSHRJHUWJW-IBGZPJMESA-N 380.492 3.632 0 40 GHAB Cc1ccn2cc(CNC(=O)c3cnn(-c4ccc(Cl)cc4)c3C)nc2c1 617354611 SCEOIRDOTMRUSO-UHFFFAOYSA-N 379.851 3.720 0 40 GHAB O=C(N[C@H]1CCCCc2cc(Br)ccc21)[C@H]1CC[C@@H](C(=O)O)C1 659233515 YEGBJPNRLDWHGF-ZENOOKHLSA-N 380.282 3.834 0 40 GHAB Cc1ccccc1OCC(=O)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099876 BKCHWCKWSYJQCS-UHFFFAOYSA-N 399.541 3.908 0 40 GHAB COC(=O)c1cc(Cl)c(NC(=O)N2CCC[C@@H]2c2ccncc2)cc1OC 48113717 OJPWVTCXRHRWPK-MRXNPFEDSA-N 389.839 3.899 0 40 GHAB CC[C@@H]1NCC[C@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 581426221 KBZAHSRFOIUCDN-URVUXULASA-N 391.515 3.813 0 40 GHAB COc1cc(Cc2noc([C@H]3[C@@H](c4ccccc4)[C@H]3C)n2)ccc1S(C)(=O)=O 583228940 GHHPXPLHRMSINC-SMHULIPUSA-N 398.484 3.590 0 40 GHAB C/C(N[C@H](C)c1ccccc1)=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 1274580 XVXPECVKCRYKDB-JJAGWCGDSA-N 383.835 3.548 0 40 GHAB Cc1cc(C)cc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)c1 1565524761 UZTJMHQRLOHKJA-UHFFFAOYSA-N 378.472 3.837 0 40 GHAB O=C([C@H](Sc1nncn1-c1ccccc1F)c1ccccc1)N1CCCC1 5278807 HZVXEZBATWEFMA-GOSISDBHSA-N 382.464 3.862 0 40 GHAB CCOC(=O)c1c(N)oc2c1[C@@H](c1ccccc1)S(=O)(=O)[C@@H]2c1ccccc1 5473968 ZAKUOHUGIIVXFF-RTBURBONSA-N 397.452 3.646 0 40 GHAB C[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccn1-c1ccccc1F 12118141 CAGMVSXZJXNPTQ-MRXNPFEDSA-N 382.435 3.728 0 40 GHAB O=C(Cc1ccccc1F)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 12158316 VQFLUOZQZPRHLU-MRXNPFEDSA-N 397.475 3.517 0 40 GHAB O=c1cc(CN(Cc2cccs2)C[C@@H]2CCCO2)nc2ccc(Cl)cn12 12986466 CYXODMUCANOJMC-INIZCTEOSA-N 389.908 3.591 0 40 GHAB Cc1ccc(-c2nnc([C@@H]3CCCN3S(=O)(=O)c3ccccc3)o2)s1 19217803 JTARLKLTRXVPSM-AWEZNQCLSA-N 375.475 3.632 0 40 GHAB COc1ccc2cc(CN(Cc3ccccn3)C[C@H]3CCCO3)c(OC)nc2c1 19563959 LARWAHGOTJDGIW-OAQYLSRUSA-N 393.487 3.828 0 40 GHAB CN1CCCCC[C@@H]2N(C(=O)c3cnn(C)c3)[C@H](Cc3ccccc3)C[C@@]21C 19713478 LIXGHGRMLJUSJD-GIWBLDEGSA-N 380.536 3.510 0 40 GHAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NCc1nnc2n1CCCCC2 19718267 LQXMDIMGONEXNR-UHFFFAOYSA-N 385.855 3.551 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2cc(C)cc(C)c2)cc1 19947463 COGRHQBJCGQYGX-UHFFFAOYSA-N 388.533 3.722 0 40 GHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)c1OC 8168738 ZHBOXSARSDJVTA-GZTJUZNOSA-N 383.425 3.623 0 40 GHAB O=C1N/C(=C/c2ccc(Br)s2)C(=O)N1Cc1ccccc1F 4498426 KRTGMJYGTDIMHH-KPKJPENVSA-N 381.226 3.743 0 40 GHAB CCCN(CC1CC1)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 5320007 OXPJMSDCUWDXDJ-UHFFFAOYSA-N 381.501 3.774 0 40 GHAB Cc1cc(C(=O)N2C[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)c(C)o1 1888849462 TWSKHCCNAWIFBK-ZIAGYGMSSA-N 379.382 3.519 0 40 GHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(NC(=O)c2ccco2)n1 32841871 KEBZBJUMXYTNNA-LBPRGKRZSA-N 387.436 3.890 0 40 GHAB Cc1cc(N2CC[C@@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)nc(C)n1 2037612734 GRQRULMYPOFAGT-MRXNPFEDSA-N 381.455 3.571 0 40 GHAB O=C1COc2ccccc2CCCC[C@H]2CN(Cc3cccc(F)c3)CC[C@H]2N1 2037843330 BLHRASUDUOAFKC-RBBKRZOGSA-N 396.506 3.938 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)c1 4077991 AVWMVFQTHQHXMU-UHFFFAOYSA-N 378.523 3.870 0 40 GHAB O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccccc1F 4374692 YANYJBGWZFHXIW-UHFFFAOYSA-N 384.411 3.709 0 40 GHAB CSc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)cc1 5222824 LIMVGMLHERLGAP-UHFFFAOYSA-N 389.546 3.588 0 40 GHAB O=C(Cc1cccc2ccccc12)NC[C@@H](c1cccs1)N1CCOCC1 22465327 ADADMIWEPSNETR-FQEVSTJZSA-N 380.513 3.634 0 40 GHAB Cc1cccc(NC(=O)/N=c2\c3ccccc3[nH]c(=O)n2Cc2ccccc2)c1 101113846 WNSFGIZGCUJZSN-YYADALCUSA-N 384.439 3.819 0 40 GHAB O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CCCN1c1nc2ccccc2o1 618254600 BHGZQKFSXMUOSA-MRXNPFEDSA-N 391.456 3.954 0 40 GHAB O=C1S/C(=C/c2cccs2)C(=O)N1CN1CCN(c2ccccc2)CC1 20266126 GBALURFAFCLCOZ-GHRIWEEISA-N 385.514 3.564 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(Br)s1 10900577 YFWSXXDLUJJBQA-UHFFFAOYSA-N 395.322 3.619 0 40 GHAB Cc1ccc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 36633499 JJOGTWVIEAYQSH-MRXNPFEDSA-N 392.434 3.620 0 40 GHAB CN(CCCC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cccs1 11423921 CNSVBQPFADXPED-UHFFFAOYSA-N 390.889 3.580 0 40 GHAB Cc1ccc2c(c1)c1nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nc1n2C 1366129 XXNRTGYADRPQFJ-KBPBESRZSA-N 383.521 3.707 0 40 GHAB CCc1ccc(N2C[C@@H](c3nnc(NC(=O)CC(C)(C)C)s3)CC2=O)cc1 20579814 TWLOWBIERRVZAK-AWEZNQCLSA-N 386.521 3.996 0 40 GHAB Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(CO)c2ccccc21 4832682 RNFRRTLLBLSSGU-QQNJPBSNSA-N 395.458 3.538 0 40 GHAB Cc1nc(SCC(=O)N(C)C2CCCCC2)nc(O)c1Cc1ccccc1 4861708 RTEBYBDAFYAHFQ-UHFFFAOYSA-N 385.533 3.965 0 40 GHAB CCNC(=O)NC(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1 6646314 XXVVTPKJQJDLRE-UHFFFAOYSA-N 395.484 3.848 0 40 GHAB CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 6779251 YPTUIPGUSHXWSK-LPHOPBHVSA-N 388.533 3.545 0 40 GHAB CCC[C@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 6946160 FRPOLDWATACRFJ-KRWDZBQOSA-N 380.554 3.623 0 40 GHAB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1cccc([N+](=O)[O-])c1 6962027 VUUWMLTUFUYLLV-BOPFTXTBSA-N 378.432 3.968 0 40 GHAB COc1cc(CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)ccc1OC(F)F 7313692 GJRUVOQAROMAPY-CYBMUJFWSA-N 390.386 3.962 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1F 7405074 RRSNPHOAEBVQCV-UHFFFAOYSA-N 378.194 3.537 0 40 GHAB CCOc1cc(CNCc2ccc(C(=O)O)cc2)cc(Br)c1OC 8253623 TTWKEWNHZBZEDN-UHFFFAOYSA-N 394.265 3.844 0 40 GHAB Cc1cc(C)cc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 8335666 HWVRJCAAFGHCJR-UHFFFAOYSA-N 388.533 3.952 0 40 GHAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1)Nc1nccs1 8623577 PYNXGKHCHAPWAE-HOTGVXAUSA-N 382.489 3.595 0 40 GHAB biogenic,in-vitro CCN1C(=O)CC[C@H](c2nc(-c3ncsc3Cl)no2)[C@H]1c1ccncc1 516612087 ZCGUOQOLKSFJKK-SMDDNHRTSA-N 389.868 3.709 0 40 GHAB COC(=O)c1ccc(NC(=O)c2c3c(nn2-c2ccccc2)CCCC3)cc1 32814663 XIWSSDJRMCQFOM-UHFFFAOYSA-N 375.428 3.790 0 40 GHAB O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1c(F)cccc1Cl 32904641 AJQGESVLLOROAF-UHFFFAOYSA-N 375.831 3.905 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1 631076 MGGAPZAWPFVVST-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB O=C(O)c1cc(Cl)c(NC(=S)NC(=O)c2ccc(F)cc2)c(Cl)c1 59843142 IDWZOAXFPDXMKS-UHFFFAOYSA-N 387.219 3.958 0 40 GHAB CCc1ccc(Cl)c(CC)c1NC(=O)CN1CCN(Cc2ccco2)CC1 22843732 SESRKAXRJIVGFE-UHFFFAOYSA-N 389.927 3.814 0 40 GHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1OC[C@@H]1CCCO1 22870972 BSHFXUMRZZWSMC-RBBKRZOGSA-N 394.515 3.811 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O)Nc1cccc2ccccc12 915726 TWPPQDGUHKBXPF-DLBZAZTESA-N 382.847 3.686 0 40 GHAB C[C@@H](NC(=O)c1cc2c(F)cccc2s1)c1ccc(S(C)(=O)=O)cc1 24211745 UBSBNHIVZFUODI-LLVKDONJSA-N 377.462 3.935 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@H](C)Sc2ccccc21 24585102 ILLFMMXPUQLVJT-AWEZNQCLSA-N 375.515 3.930 0 40 GHAB O=C(Nc1ccc(O)cc1)c1ccn(COc2cccc(C(F)(F)F)c2)n1 28238461 NNASVDDEUXNVIR-UHFFFAOYSA-N 377.322 3.896 0 40 GHAB CC(C)C(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 25286313 HJMXJKGJIVEHSM-JOCHJYFZSA-N 378.516 3.981 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccc2c(c1)CCCC2 25321325 QKKPBVZDKATYEW-OXQOHEQNSA-N 380.488 3.888 0 40 GHAB O=C(CCc1ccccc1)NC1CCN(C(=O)c2c[nH]c3ccccc23)CC1 55994542 SMMWTLVOLWAWJA-UHFFFAOYSA-N 375.472 3.522 0 40 GHAB COc1cccc(CN2CCC(NC(=O)[C@@H]3CCCc4ccccc43)CC2)c1 58055440 OAUZFLOASDKQSS-HSZRJFAPSA-N 378.516 3.896 0 40 GHAB CN(Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1cccc(Cl)c1Cl 58160874 FRKOCLKUOKOPSK-UHFFFAOYSA-N 387.332 3.876 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1)c1ccccc1 58251172 FKSIFAOGYKNEGY-MRXNPFEDSA-N 376.478 3.589 0 40 GHAB CCCC(=O)N1CCC(OC(=O)/C=C/c2ccc(Br)s2)CC1 58203444 PBIDNTCKHQJQMK-FNORWQNLSA-N 386.311 3.858 0 40 GHAB COc1ccc([C@@H](NC(=O)NC[C@@H]2CCCO2)C(Cl)(Cl)Cl)cc1F 3176431 LLPNSQZLXLARNY-GXFFZTMASA-N 399.677 3.724 0 40 GHAB COc1ccc2cc(CNC(=O)NCCc3ccc4c(c3)OCCO4)ccc2c1 10495684 DQJNGFJKUVBMIQ-UHFFFAOYSA-N 392.455 3.662 0 40 GHAB CC(C)(C)[C@H]1CCc2c(sc3nc(NN)n(Cc4ccccc4)c(=O)c23)C1 2286805 FMAOUAHYKNOQTH-AWEZNQCLSA-N 382.533 3.943 0 40 GHAB COc1ccc2cc(C(=O)OCCOc3ccccc3C(C)=O)c(C)nc2c1 10726166 IYUXAQCEUFJLTI-UHFFFAOYSA-N 379.412 3.990 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 8215181 AFNIJWMMOYJUJV-UHFFFAOYSA-N 378.384 3.879 0 40 GHAB O=c1[nH]nc(SCc2ccc(Br)cc2)n1Cc1ccccc1 16801546 FVYJRELJJHPIPH-UHFFFAOYSA-N 376.279 3.675 0 40 GHAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1-c1ccccc1 12787533 GHVGQYZSMRWRQL-UHFFFAOYSA-N 381.453 3.965 0 40 GHAB COc1ccccc1NC(=O)[C@@H](C)Sc1nncn1CCc1cccs1 12801078 RGMNDYFRHRXLSS-CYBMUJFWSA-N 388.518 3.710 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N[C@H](C)C(C)C)n2C(C)C)cc1 3426192 RXAKBPVHTQVMHZ-CQSZACIVSA-N 376.526 3.787 0 40 GHAB Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1 12942215 BIGNUXYTLOSCNU-GOSISDBHSA-N 394.515 3.690 0 40 GHAB CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2cnn(C(C)C)c2nc1C 12926844 UFNBQJWOJNBSCG-UHFFFAOYSA-N 393.491 3.594 0 40 GHAB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2ccccc2F)CC1 13323394 GNGPXKGYLHKYIT-MJGOQNOKSA-N 375.532 3.669 0 40 GHAB O=C1C[C@H](c2ccccc2)N(c2nc(C(F)(F)F)nc3ccccc23)CCN1 69464333 JYTSSFJWYCTXBS-MRXNPFEDSA-N 386.377 3.716 0 40 GHAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)N[C@H]1CCCc2ccccc21 4251951 KYWGUCNSQLZNME-BEFAXECRSA-N 392.528 3.938 0 40 GHAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)N[C@@H]1CCCc2ccccc21 4251948 KYWGUCNSQLZNME-HNAYVOBHSA-N 392.528 3.938 0 40 GHAB Cc1ccc(OCC(=O)N2N=C3CCCCC[C@@H]3[C@]2(O)C(F)(F)F)cc1C 5024392 AXQKTTYQSLEIPV-YJBOKZPZSA-N 384.398 3.712 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 4385134 ZAVHAQJLABVTSC-LLVKDONJSA-N 379.243 3.994 0 40 GHAB COc1ccc(COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1F 5224941 QMBVAQDDODMEIE-SFHVURJKSA-N 397.402 3.512 0 40 GHAB C[C@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)C[C@@H](C)O1 13950879 WQYFVXUJSXVRNN-IYBDPMFKSA-N 381.501 3.909 0 40 GHAB Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccc(-c3csc(C)n3)s2)c1 14198969 LBHICKGNSOKXQQ-UHFFFAOYSA-N 399.541 3.843 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN(c2ncccn2)C1 9048464 VZBYBSNGTGHNHS-LJQANCHMSA-N 388.471 3.911 0 40 GHAB O=C(Nc1ccccc1F)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5438726 OKBISYFQFFCIDJ-UHFFFAOYSA-N 382.844 3.661 0 40 GHAB O=C(NCCSCc1ccco1)C1CCN(C(=O)Nc2ccccc2)CC1 6553518 XFFICYNNPAYGPV-UHFFFAOYSA-N 387.505 3.573 0 40 GHAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2C)c1 4736289 KCONGVFKXJANFL-UHFFFAOYSA-N 384.436 3.555 0 40 GHAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2C)c1C 5862920 RSXVTTPDLZKRTI-CYBMUJFWSA-N 388.493 3.676 0 40 GHAB Cc1cc(C)c2c(NC(=O)C3CCCC3)c(C(=O)N3CCOCC3)sc2n1 8718130 SVXJGIWQWYWOJE-UHFFFAOYSA-N 387.505 3.514 0 40 GHAB COc1cc(OC)cc([C@@H](Nc2ncnc3sccc23)c2nccn2C)c1 15525376 RZRKXXCPAXLLCQ-MRXNPFEDSA-N 381.461 3.644 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 7988812 CUPCRUMSIFNEGE-NRFANRHFSA-N 379.460 3.830 0 40 GHAB COc1ccc(OCCCC(=O)NCCCc2ccc(OC)c(OC)c2)cc1 65086715 DHDDLFSIJSXPBL-UHFFFAOYSA-N 387.476 3.620 0 40 GHAB Cc1ccc(NC(=S)Nn2c(-c3ccco3)nc3ccccc3c2=O)cc1 19897561 AFFXKKXMDKYSLK-UHFFFAOYSA-N 376.441 3.905 0 40 GHAB O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC[C@@H]1c1ccc[nH]1 89847700 ZTMCGHYYGBAGBA-GOSISDBHSA-N 384.457 3.559 0 40 GHAB Cc1c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)[nH]c2c1C(=O)CC(C)(C)C2 9883366 YROYKQLRDSCXLK-UHFFFAOYSA-N 379.460 3.623 0 40 GHAB COc1ccc(NS(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1Cl 72313009 NIJXLVNNEFVVHM-UHFFFAOYSA-N 375.277 3.791 0 40 GHAB CC(C)(C)NC(=O)N1CCC(NC(=O)C2(c3cccc(F)c3)CCCC2)CC1 95456484 HVLMORJWOQCXTM-UHFFFAOYSA-N 389.515 3.726 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2cnn(-c3ccncc3)c2)c1 78974932 IOYSLGHHZPNFQG-LJQANCHMSA-N 393.447 3.654 0 40 GHAB COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)Nc1ccc(-n2cnnn2)cc1 554048519 WPIFUNWULYOZLC-HNAYVOBHSA-N 392.463 3.676 0 40 GHAB O=C(O)CC[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 408603930 CCSWZPUXCMUAJS-LJQANCHMSA-N 386.879 3.704 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccsc3)n2)s1 32722424 PQUBZLBUZMMQMD-UHFFFAOYSA-N 377.516 3.750 0 40 GHAB O=C(CC1CCCC1)NCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 508477842 PMUHSXNFYDBICP-UHFFFAOYSA-N 376.460 3.661 0 40 GHAB Cc1ccc(NCc2cncc(F)c2)cc1S(=O)(=O)N1CCCCCC1 512370461 RMCCEBSUTCZHNF-UHFFFAOYSA-N 377.485 3.706 0 40 GHAB COc1cc(CNC(=O)c2ccc(N3CCCC3=O)cc2)ccc1OC(C)C 219200848 LEKAEMYDLSBREP-UHFFFAOYSA-N 382.460 3.539 0 40 GHAB COC(=O)c1nn(-c2ccc(Cl)cc2)c2c1Cc1cc(OC)c(OC)cc1-2 32103853 UHMUBPHEFABFJQ-UHFFFAOYSA-N 384.819 3.901 0 40 GHAB COc1ccc(OC)c(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)c1 36366683 YAJIPUSDMVNPRD-UHFFFAOYSA-N 380.448 3.770 0 40 GHAB COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3C(=O)c3coc(C)n3)n2)cc1 72384495 VPRRHDPVAPIFRM-SFHVURJKSA-N 394.431 3.860 0 40 GHAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1C)c1ccc(S(C)(=O)=O)cc1 219314675 OWJFUKBQASWAQA-RBUKOAKNSA-N 389.517 3.823 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)c1cc(C(C)C)c(OC)cc1C 225661249 KWHXJXZZYROBRY-UHFFFAOYSA-N 384.476 3.756 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc2c(c1)OCO2 222653937 CFZPHOGIAVHEDL-KRWDZBQOSA-N 383.444 3.775 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 222537324 ZDWRGRKINGIYJE-HNNXBMFYSA-N 390.936 3.737 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NCCCOC 222960159 ZIRODLWIINKVHL-HXUWFJFHSA-N 398.503 3.866 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 223549222 OWORMASLKGNKRD-SFHVURJKSA-N 384.545 3.782 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)C(C)C)c2cccc(C)c2)cc1 225189069 PLKWIGLPNPBMCV-SFHVURJKSA-N 388.533 3.659 0 40 GHAB Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 574610801 PGAJQQSYWHAAPW-DLBZAZTESA-N 392.908 3.985 0 40 GHAB C[C@H](NC(=O)Cn1ccc(=O)c2ccc(Br)cc21)c1ccccc1 225738239 MSNCXBQHNNYMQY-ZDUSSCGKSA-N 385.261 3.641 0 40 GHAB COc1ccc(F)c2[nH]c(C(=O)N3CC[C@@]4(CC(=O)c5ccccc5O4)C3)cc12 573900913 FPMGJTONMMVXNY-JOCHJYFZSA-N 394.402 3.566 0 40 GHAB O=C(c1ccccc1NC(=S)Nc1ccc(Cl)cc1)N1CCOCC1 225463579 GDFXQAUEAMLFFP-UHFFFAOYSA-N 375.881 3.621 0 40 GHAB Cc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Br)cc1 85342771 DVYLEMFFZYFAHJ-UHFFFAOYSA-N 393.262 3.583 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc([C@H]2CCC(=O)N2)c1 574904190 BKTMGPFZJLUSIM-HXUWFJFHSA-N 388.471 3.752 0 40 GHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC[C@@H]1COc2ccccc2O1 225267397 FFRIVFBORPHCFX-WOJBJXKFSA-N 377.440 3.953 0 40 GHAB COc1ccc(CCNC(=O)N2CC[C@@H](c3noc(-c4cccs4)n3)C2)cc1 238836088 GSSFYCJRTVFQMC-OAHLLOKOSA-N 398.488 3.548 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21 96053328 FAARRGCDMSPHDC-FQEVSTJZSA-N 393.531 3.897 0 40 GHAB O=C(N1CCCC1)N1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21 96078865 SAEUYLPZWBLYHN-UHFFFAOYSA-N 376.504 3.651 0 40 GHAB Cn1cc(C(=O)NCc2ccnc(-c3ccco3)c2)c(-c2ccsc2)cc1=O 252484439 FWEJNYSQZFGCDF-UHFFFAOYSA-N 391.452 3.699 0 40 GHAB CNC(=O)[C@@]1(c2cccc(C)n2)CCCN1Cc1ccccc1N1CCCCC1 257303378 SGZDWKYRGKQZGD-DEOSSOPVSA-N 392.547 3.618 0 40 GHAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3ncccc3C)C2)o1 257219924 DIVIKNYAJUAULT-SFHVURJKSA-N 391.471 3.997 0 40 GHAB Cc1cc(Nc2cc(CC3CCN(C(=O)C4CCC4)CC3)nc(C3CC3)n2)[nH]n1 257322648 WGVOLQPFIKFGJW-UHFFFAOYSA-N 394.523 3.710 0 40 GHAB O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1Cl 90607758 XPQXARHEYDXZKY-UHFFFAOYSA-N 379.800 3.862 0 40 GHAB Cc1cc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)c(Cl)cc1Cl 96123404 MDIAXWXXVRZOAC-UHFFFAOYSA-N 390.292 3.651 0 40 GHAB Cc1ccccc1CN1CCOC[C@@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 585104819 ULILCLOYLJCCFZ-YKSBVNFPSA-N 378.516 3.807 0 40 GHAB COC(=O)c1c(C)nsc1NC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 56354354 QZOHUTHPWOSBSJ-AWEZNQCLSA-N 377.441 3.616 0 40 GHAB CC(C)C(=O)Nc1ccc(CNC(=O)N(C)Cc2ccc(CN(C)C)cc2)cc1 58171073 IGVPGRMBQIICRS-UHFFFAOYSA-N 396.535 3.684 0 40 GHAB COc1ccc(OCC(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 5444652 WMJBMNBISBTQLR-KFKAGJAMSA-N 378.465 3.621 0 40 GHAB CCc1ccc2[nH]c3nc(SCC(=O)NC4CCCCCC4)nnc3c2c1 5678638 YXSLFPZSKJKEAR-UHFFFAOYSA-N 383.521 4.000 0 40 GHAB CC[C@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 12362757 BOIPPHKBNSOQIF-QGZVFWFLSA-N 375.513 3.791 0 40 GHAB COc1cc(CNS(=O)(=O)c2c(C)cc(C)cc2C)ccc1OC(C)C 13672927 VNCBJDGAARKDHE-UHFFFAOYSA-N 377.506 3.886 0 40 GHAB Cc1ccc(SCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 15638872 YMBSGSZEDKWHRG-INIZCTEOSA-N 384.501 3.635 0 40 GHAB Cc1[nH]c2ccc(-c3nnc(SCC(=O)NCc4ccco4)o3)cc2c1C 15670829 ACRQJSNOVUONQI-UHFFFAOYSA-N 382.445 3.836 0 40 GHAB CC(=O)N(C)C1CCC2(CC1)CN(Cc1ccccn1)Cc1ccccc1O2 19016297 DAHIDLVVCQNJCN-UHFFFAOYSA-N 379.504 3.636 0 40 GHAB c1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 19371948 QEBKSIYOKFGCHM-LJQANCHMSA-N 388.519 3.847 0 40 GHAB CN1CCc2nc(C3CCN(Cc4ccc5c(c4)CC(C)(C)O5)CC3)ncc2C1 19461736 TVDZLDLTZBXWKC-UHFFFAOYSA-N 392.547 3.558 0 40 GHAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C[C@@H]2CCOC2)C1 19530039 JALDVPLLLKZRIJ-MBSDFSHPSA-N 398.503 3.566 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccccn2)C1 19591615 VGSAFCDXWREYQL-VWLOTQADSA-N 399.494 3.570 0 40 GHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1CCN2Cc1cc2ccccc2nc1N(C)C 19712166 LCOGXSZNXYWDIY-YADHBBJMSA-N 380.536 3.666 0 40 GHAB COc1ccc(/C=C2\SC(=O)N(CNc3cccc(F)c3)C2=O)cc1OC 5350956 LRTXNVGJSNKLAM-MFOYZWKCSA-N 388.420 3.949 0 40 GHAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CCNC(=O)c1ccccc1F 12089713 QXQASEFKQQWUTN-UHFFFAOYSA-N 392.352 3.898 0 40 GHAB CN1CCN(Cc2cccc(F)c2F)C[C@H](Cc2ccnc3cccnc23)C1 2037838606 QSWIMHFISJTZDA-MRXNPFEDSA-N 382.458 3.514 0 40 GHAB CC[C@@H]1C(=O)N=C(SCC(=O)Nc2ccc(C)cc2)N(c2ccccc2)C1=O 1089451 LLSZEZFIRXITRT-QGZVFWFLSA-N 395.484 3.622 0 40 GHAB CC(C)(C)C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 5375249 VEANSRFIYMFVBT-UHFFFAOYSA-N 390.480 3.952 0 40 GHAB CC(C)CCNC(=O)Cc1csc(SCC(=O)c2ccc(F)cc2)n1 11695004 CHDIATYAUQHHTI-UHFFFAOYSA-N 380.510 3.962 0 40 GHAB COc1ccc(N2C[C@H](c3nc(-c4ccccc4Cl)no3)CC2=O)cc1OC 12414347 DYEHGQIVAXTGFD-GFCCVEGCSA-N 399.834 3.928 0 40 GHAB COc1ccc(-c2cc3c(=O)[nH]nc(SCc4ccc(C)cc4)n3n2)cc1 12415927 SXXNJFWBKQTQOW-UHFFFAOYSA-N 378.457 3.694 0 40 GHAB COc1ccc2nc(-n3nc(C)cc3NC(=O)COc3ccccc3)sc2c1 16851107 OSVRHHTZMYRDPY-UHFFFAOYSA-N 394.456 3.817 0 40 GHAB CCCCc1ccc(NC(=O)CN2C(=O)[C@H](CC)S[C@H](CC)C2=O)cc1 18170056 ZTEBLEUUXGUCHM-CALCHBBNSA-N 376.522 3.627 0 40 GHAB O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)Nc1ccc(F)c(F)c1 33048868 YKHGSNMWIKFOCM-UHFFFAOYSA-N 391.377 3.980 0 40 GHAB Cc1[nH]c2ccc(C(=O)N3CCN(C(=O)Nc4ccc(F)cc4)CC3)cc2c1C 30258180 XCRGJLNCCYNUDH-UHFFFAOYSA-N 394.450 3.914 0 40 GHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cnccn2)CC1 40098591 PKSVPAYSGQVCOE-UHFFFAOYSA-N 385.777 3.503 0 40 GHAB O=C(COCCOc1ccccc1)Nc1cc2c(cc1Cl)OCCCO2 40132072 RCCNMIBZSXQXCT-UHFFFAOYSA-N 377.824 3.535 0 40 GHAB O=C(COc1ccccc1Cl)NCc1ccc(NC(=O)c2ccco2)cc1 11145257 PETWZXDQASRXBJ-UHFFFAOYSA-N 384.819 3.881 0 40 GHAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O 40478578 GSIIRULNCQXSQM-UHFFFAOYSA-N 393.487 3.581 0 40 GHAB CCOC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1cccc(Cl)c1 882761 WJTRBOWVVLTNNJ-UHFFFAOYSA-N 389.864 3.949 0 40 GHAB O=C(CCn1cc(Br)cn1)Nc1ccc(CN2CCCCC2)cc1 2739407 AACYGTAYIAJZED-UHFFFAOYSA-N 391.313 3.660 0 40 GHAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccc2c(c1)OCO2 3210130 UMLLCOFVRPRQFS-UHFFFAOYSA-N 385.470 3.640 0 40 GHAB Nn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 3295079 FFDWUHDXAFQIEH-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccc4c(c3)OCCO4)ccc(Cl)c21 31871336 BFIGMGYIHVZURA-LLVKDONJSA-N 387.819 3.819 0 40 GHAB Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C1=O 4832680 RNFRRTLLBLSSGU-VUUXHMSQSA-N 395.458 3.538 0 40 GHAB CCOc1ccccc1NC(=O)NC1(C(=O)NCc2ccco2)CCCCC1 4982010 GUNAECXYXQNIGV-UHFFFAOYSA-N 385.464 3.819 0 40 GHAB Cc1noc(C)c1COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 6124630 NHLJKXLXLRFSBL-UHFFFAOYSA-N 391.471 3.833 0 40 GHAB Cc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O 6479355 CSUMAZAJQOXRQC-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB COc1ccccc1CCNC(=O)CS[C@H]1CCc2ccccc2N=C1O 11865946 YXDURHNDQVXSDI-IBGZPJMESA-N 384.501 3.690 0 40 GHAB Cc1nnc2sc(-c3ccc(CNC(=O)c4cc5ccccc5o4)cc3)nn12 32642757 XNNYTYBGTLYUGX-UHFFFAOYSA-N 389.440 3.837 0 40 GHAB CC1CCN([C@@H](C)CNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 60156482 BEMKJAUXQSQJLY-HNNXBMFYSA-N 379.342 3.717 0 40 GHAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc2c(c1)OCCO2 32678968 BSRNAFKNMGIZQE-AWEZNQCLSA-N 392.411 3.794 0 40 GHAB C[C@H]1CCc2nc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)sc2C1 10218881 LLKIEZNRVUQTAK-LBPRGKRZSA-N 396.509 3.600 0 40 GHAB COc1ccccc1NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 32831190 FTWUWQKBRSJMGC-IAGOWNOFSA-N 383.492 3.626 0 40 GHAB COc1ccc([C@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1OC 102604023 DCEAFKNXEHAHEO-XCLFUZPHSA-N 392.415 3.954 0 40 GHAB COc1ccc2oc(=O)c(C(=O)O[C@@H](C)C(=O)c3cccc(Cl)c3)cc2c1 2707932 RJPYZCWEPLSNRS-NSHDSACASA-N 386.787 3.883 0 40 GHAB biogenic CCc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccc(OC)c(F)c3)CC2)cc1 22788327 BEWNVRZFNFITNC-QGZVFWFLSA-N 399.510 3.542 0 40 GHAB Cc1ccccc1NC(=O)[C@@H]1C(=O)N[C@]23CCCC[C@@H]2[C@@H]1c1ccccc1O3 100747721 SJGLYUNTUZHSCL-WOSKWAQLSA-N 376.456 3.742 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@H]1c1ccccc1F 59227864 KSRMEEVLZOMIBX-KRWDZBQOSA-N 384.798 3.670 0 40 GHAB CCN(C(C)=O)c1nc(CSc2nc(-c3ccccc3F)n[nH]2)cs1 23947290 CCVGNWAQJBMGKG-UHFFFAOYSA-N 377.470 3.732 0 40 GHAB COc1ccc(CNc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1 23908021 HJZKCSXZQKKHJM-UHFFFAOYSA-N 398.532 3.761 0 40 GHAB O=C(CN1CCN(Cc2ccccc2)CC1)NC(c1ccccc1)c1ccccc1 20000966 XLUJQEGUCVZQST-UHFFFAOYSA-N 399.538 3.710 0 40 GHAB CCCc1cc(OC(=O)c2cccc(OC)c2)n(-c2nc3ccccc3[nH]2)n1 20478027 NOCSXLMFUKPPLX-UHFFFAOYSA-N 376.416 3.929 0 40 GHAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc(Br)c2)CC1 53774389 IQJMIGIIMQIYIJ-UHFFFAOYSA-N 383.286 3.578 0 40 GHAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CCCCC2 71286246 WQGBNEFINQMKDO-FXAWDEMLSA-N 384.520 3.586 0 40 GHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)CCCc1c[nH]c2ccccc12 55840924 NBVPSYCNZZZHLJ-UHFFFAOYSA-N 379.460 3.840 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)/C=C/c1ccccc1OC(F)F 24992098 PVQUGNUEBPCQIV-GZKZCVOOSA-N 386.398 3.931 0 40 GHAB COc1cccc(/C=C/[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)c1OC 2136917 VYFDLJYMOPNYHW-HRBBJJPOSA-N 378.472 3.649 0 40 GHAB biogenic CCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)c(C)cc3C)C2=O)cc1 8394675 DZDGEVOFTLQRRD-HSZRJFAPSA-N 394.471 3.660 0 40 GHAB CC(=O)c1cccc(OCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 12679985 DPSIHANIUFNBPY-UHFFFAOYSA-N 396.424 3.759 0 40 GHAB O=C(c1cnn(-c2ccc(Br)cc2)c1)N(Cc1cccnc1)C1CC1 45086528 WMGSAQAYZNLESM-UHFFFAOYSA-N 397.276 3.835 0 40 GHAB CCCCc1ccc(NC(=O)COC(=O)c2cncc(Br)c2)cc1 3317876 XMYXICJQAVGCOZ-UHFFFAOYSA-N 391.265 3.982 0 40 GHAB CC(C)CNC(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 3329898 HBXBRGTUWBKQTN-UHFFFAOYSA-N 383.473 3.530 0 40 GHAB Clc1ccc(-n2nnnc2Sc2ncnc3sc4c(c23)CCC4)cc1 3315123 DBSFHKUGHGWYLE-UHFFFAOYSA-N 386.893 3.960 0 40 GHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCC[C@@H](C)C1 2365994 RBOGMBVAAVJGDX-GFCCVEGCSA-N 377.872 3.668 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 12796105 NSCGMMPASMSOTP-LLVKDONJSA-N 379.243 3.994 0 40 GHAB COc1ccc(C)cc1CN(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 12758744 RWYHDVVYBZDCFC-UHFFFAOYSA-N 375.472 3.950 0 40 GHAB C/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 12793683 APVQMMZXJUJOJN-YIORLJKJSA-N 392.521 3.719 0 40 GHAB Nc1nc(COC(=O)c2ccccc2C(F)(F)F)nc(Nc2ccccc2)n1 8393981 RTJHXNPVTFVDRZ-UHFFFAOYSA-N 389.337 3.573 0 40 GHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc2ccccc12 12822290 IBEJGKXKKRQFPA-OAHLLOKOSA-N 394.496 3.772 0 40 GHAB O=C(COc1ccccc1)NCC(=O)Nc1ccc(Oc2ccccc2)cc1 3407680 NKHMYHOKDORQAV-UHFFFAOYSA-N 376.412 3.613 0 40 GHAB COCCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2ccccc21 3499188 SJGKYIKLCPOSOM-UHFFFAOYSA-N 386.473 3.675 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1sc(-c2ccccn2)nc1C 12923010 IXSHJJLYSMMYIB-UHFFFAOYSA-N 382.445 3.733 0 40 GHAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCC1 12940699 IUSUNFPLUWEJIJ-UHFFFAOYSA-N 377.506 3.610 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCc4ccccc43)CC2=O)cc1 3524975 NSAFJWZCOYKWLD-DYESRHJHSA-N 378.472 3.632 0 40 GHAB COc1cc(NC(=O)NC[C@H](c2ccsc2)N2CCCC2)cc(OC)c1 22766966 NKNZUDOXOMDAHV-GOSISDBHSA-N 375.494 3.724 0 40 GHAB COc1cccc(-c2nc(CS(=O)(=O)c3ccc(O)cc3)cs2)c1OC 63927073 AQBKHXIUBJZICO-UHFFFAOYSA-N 391.470 3.507 0 40 GHAB CN(C)c1ccc([P@](=O)(OCc2ccccc2)[C@@H](O)c2cccnc2)cc1 4325425 XPKUQUNAYWMZOV-ZBLYBZFDSA-N 382.400 3.959 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 5211154 RATVCXNHLXKGFD-ZRGWGRIASA-N 383.492 3.587 0 40 GHAB COc1ccc2nc(SCc3nc(N)nc(Nc4ccccc4C)n3)[nH]c2c1 4400069 PSTDBOWJDGNOHI-UHFFFAOYSA-N 393.476 3.683 0 40 GHAB CCCn1c(SCC(=O)Nc2cc(F)ccc2F)nc2ccccc2c1=O 6432199 PCPHTHKBKJPHDL-UHFFFAOYSA-N 389.427 3.816 0 40 GHAB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(CC)C4)N2)cc1OC 4556409 KFZIQYRCRZQKGY-GOSISDBHSA-N 387.505 3.962 0 40 GHAB Cc1cc(OCC(=O)NCCc2ccc(Cl)cc2)c2c(C)cc(=O)oc2c1 6658915 VRJIXBBZYCTVHX-UHFFFAOYSA-N 385.847 3.801 0 40 GHAB O=C(Nc1nc(SCc2ccc(Cl)cc2)n[nH]1)c1cnc2ccccc2n1 6646366 PUZFBYHYQZNNDM-UHFFFAOYSA-N 396.863 3.946 0 40 GHAB CCOC(=O)c1cc(CC)sc1NC(=O)COc1ccc(C(C)=O)cc1 5654260 XYJCCHQUHBRZFN-UHFFFAOYSA-N 375.446 3.707 0 40 GHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)N1CCC[C@H](C)C1 4907810 WZYKLEKXLOWMHR-RYUDHWBXSA-N 377.872 3.667 0 40 GHAB COc1ccc([C@H](C)NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1F 7077768 NOXZEWOCTXSMIF-NSHDSACASA-N 392.814 3.663 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(OC(=O)Cc2c(C)noc2C)cc1 15600470 QEQZSUYQYGUNIJ-UHFFFAOYSA-N 380.400 3.700 0 40 GHAB Cc1oc(-c2cccs2)nc1CC(=O)NC[C@H](C)N1CCc2ccccc21 32815257 SEWNGZCSIGDTPB-AWEZNQCLSA-N 381.501 3.821 0 40 GHAB CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 16139923 AYUFJNFYHPRSIK-HXUWFJFHSA-N 394.471 3.626 0 40 GHAB COc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(OC)cc2)cc1 9204877 UOVMAORDDVYPMD-UHFFFAOYSA-N 381.428 3.905 0 40 GHAB NC(=O)Cn1c(SCc2ccc(F)cc2Cl)nnc1-c1cccs1 22407814 BVWOQVQSZJWCRM-UHFFFAOYSA-N 382.873 3.577 0 40 GHAB O=C1CCCN1c1cccc(-c2csc(Cc3nnc4n3CCCCC4)n2)c1 9385990 ZSCHTSXIIUBOEI-UHFFFAOYSA-N 393.516 3.846 0 40 GHAB CC(=O)Nc1ccc(OCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1 9366082 NZUPZYYDJBJPKY-SFHVURJKSA-N 393.399 3.588 0 40 GHAB Cc1ccc(-c2cc(C(=O)OCCO)c3sc(N4CCCCC4)nc3n2)cc1 84171799 SYMUJMYMQKALLP-UHFFFAOYSA-N 397.500 3.806 0 40 GHAB Cc1nc(CNC(=O)c2ccc(COc3ccccc3)cc2)ccc1[C@H](C)O 95456478 RXOZPDHXQPFYDN-KRWDZBQOSA-N 376.456 3.952 0 40 GHAB O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)C2CCCCC2)C1)c1ccccc1 95998708 JWJJUOYNACKXLD-SFHVURJKSA-N 380.492 3.948 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(Cc2cccs2)c2ccccc21)c1ccc(F)cc1 9925985 UJKNXOGAFRDETA-NRFANRHFSA-N 381.428 3.895 0 40 GHAB CC(C)(C)OC(=O)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)C(F)(F)F 409333837 DMDVKXVEDUJROQ-CQSZACIVSA-N 380.313 3.918 0 40 GHAB CC1(C)Oc2ccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)cc2O1 32932335 FJYNWUYTMSWNIH-UHFFFAOYSA-N 389.351 3.893 0 40 GHAB O=C(CN1Cc2ccccc2C1=O)Nc1ccc(-n2cnc3ccccc32)cc1 519274796 QKZCATDCLPKTAW-UHFFFAOYSA-N 382.423 3.620 0 40 GHAB NC(=O)c1cc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)ccc1Cl 520505156 KRCACUUPEICBHL-UHFFFAOYSA-N 375.215 3.735 0 40 GHAB COc1ccccc1/C=C1\NC(=S)N(c2ccc(Br)cc2)C1=O 32111798 LHLAICAJBWWKQH-UVTDQMKNSA-N 389.274 3.720 0 40 GHAB Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC(C)C)CC2)cc1 39761713 YQXYYOOCGCTCEA-UHFFFAOYSA-N 393.531 3.984 0 40 GHAB COc1cc(CN2CC[C@@H](NC(=O)Nc3ccc4c(c3)CCC4)C2)cc(OC)c1 531039413 YOGFLZGLGWZUSQ-HXUWFJFHSA-N 395.503 3.589 0 40 GHAB CCc1ccc(OCC(=O)NCCN(C)c2ccccc2)c(Br)c1 218866169 JRDDMWQGGGUWOQ-UHFFFAOYSA-N 391.309 3.643 0 40 GHAB CC(=O)N1CCC(N2CCC[C@H]2c2cncc(Oc3ccc(F)cc3)n2)CC1 72384372 XROROPFXYUFFSI-FQEVSTJZSA-N 384.455 3.556 0 40 GHAB COc1cc(CNC(=O)c2cc(Cl)ccc2F)ccc1OC[C@@H]1CCCO1 36392432 UIFBXDXNYAVTBN-HNNXBMFYSA-N 393.842 3.976 0 40 GHAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc3c(c1)OCCO3)CC(O)=N2 36360249 LPHDSXJQUUEYEY-GFCCVEGCSA-N 397.822 3.519 0 40 GHAB CCCCOc1ccc(C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1 70926009 RJTHYWHFBHXCNR-UHFFFAOYSA-N 395.503 3.543 0 40 GHAB CC[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc2c(c1)CCCC2 223066959 SPLMQERAFZCBDG-FQEVSTJZSA-N 386.517 3.818 0 40 GHAB Cc1ccc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1 224268962 URHHORBSHRFLKW-UHFFFAOYSA-N 388.475 3.756 0 40 GHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccccc1OC 222828069 GDKNBXCWVLLMLB-OAHLLOKOSA-N 388.895 3.792 0 40 GHAB CC(=O)Nc1ccc(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)cc1 40142736 FIHBAXLENIWPPU-QFIPXVFZSA-N 393.531 3.848 0 40 GHAB COCc1cc(=O)[nH]c2cc(NC(=O)c3ccccc3C(F)(F)F)ccc12 49031138 JZMYTHLOKXJBPY-UHFFFAOYSA-N 376.334 3.946 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 223672158 ZAWVDUPJYPKFPC-FQEVSTJZSA-N 396.531 3.852 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 225373516 RZBGRAVYRJEFKT-MOPGFXCFSA-N 396.531 3.878 0 40 GHAB O=C(Nc1ccccc1F)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97994295 WPLGYRDYKLRLLZ-QGOAFFKASA-N 375.363 3.709 0 40 GHAB CCc1ccc(CN2CCC3(CC2)C[C@H](N(C)Cc2cccnc2)CO3)cc1 96220890 UPHRYGNHKDMVAZ-QHCPKHFHSA-N 379.548 3.900 0 40 GHAB Cc1cc(-c2c(C)noc2C)nc([C@@H]2CCCCN2C(=O)C2CCOCC2)n1 257249318 JHQSJFMZXWNBQS-SFHVURJKSA-N 384.480 3.537 0 40 GHAB CC(C)CNC(=O)c1cc(NC(=O)C(F)(F)C2(O)CCCC2)ccc1Cl 585080900 LAANFBFWYNNEGO-UHFFFAOYSA-N 388.842 3.605 0 40 GHAB C[C@@H]1CN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C[C@@H](C)C1(F)F 585123192 LRKMHFABAGXIAL-IAGOWNOFSA-N 395.494 3.594 0 40 GHAB Cn1cc(NC(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c(C2CC2)n1 653201201 DRKONBGKHINUPL-KRWDZBQOSA-N 383.279 3.634 0 40 GHAB Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3nnc(C)n3c2)c1 49408238 TZWRPUKZFNJZEA-UHFFFAOYSA-N 392.484 3.742 0 40 GHAB CNC(=O)c1sc2ncccc2c1C1CCN(Cc2csc(C)n2)CC1 1615157771 QDEJERGWGPENNE-UHFFFAOYSA-N 386.546 3.800 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)Sc1nnnn1-c1ccc(Cl)cc1 5014958 IQTVHGMEQYHENY-RWMBFGLXSA-N 379.917 3.586 0 40 GHAB COc1ccc(CCNc2c(-c3ccc(O)cc3)nc3cnccn23)cc1OC 12113763 DDIHJLRUDIUKNZ-UHFFFAOYSA-N 390.443 3.774 0 40 GHAB O=C(CN1CCC(c2ccc3c(c2)OCO3)CC1)N1CCCc2ccccc21 12113976 TZCFTTAHVUFWNV-UHFFFAOYSA-N 378.472 3.574 0 40 GHAB COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)c1 12330046 OAHMNRCHVPFMQI-VXKWHMMOSA-N 397.515 3.696 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4ccsc4n3)cc2)cc1 13368335 HJVKDBJASGBJMN-UHFFFAOYSA-N 391.452 3.896 0 40 GHAB COc1ccccc1NC(=O)c1cc(-c2ccncc2)c(N2CCOCC2)s1 19571270 XEJVREQYWZJUJM-UHFFFAOYSA-N 395.484 3.908 0 40 GHAB Cc1nc(Cn2nnc3ccccc32)cc(NCCCc2ccc(F)cc2)n1 19655840 PRAXUCQFBMXBMI-UHFFFAOYSA-N 376.439 3.762 0 40 GHAB Cc1ccsc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 6479651 HWSXPIXVONZZQF-OVCLIPMQSA-N 388.426 3.884 0 40 GHAB COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@H]1CCOC1(C)C 661058310 LEWOPYKNFLVDDP-NEPJUHHUSA-N 385.302 3.633 0 40 GHAB COc1cc(OC)c(OC)cc1CN1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 19595013 LFTYDFREAITYLF-LEWJYISDSA-N 396.531 3.604 0 40 GHAB CC(C)c1nccc(N2CC[C@@H](COc3ccc4nc(C(C)(C)C)cn4n3)C2)n1 2087045376 ZWPLNWBDKDTNFT-MRXNPFEDSA-N 394.523 3.846 0 40 GHAB Cc1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)no1 5184733 NIPDPMVSTQHDBN-UHFFFAOYSA-N 391.836 3.690 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4ccco4)cc32)cc1 5252948 CHNMCOQBQRINDC-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB CC(C)(C)C(=O)N1CCc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc21 13696550 IZONAVWWQZEQED-UHFFFAOYSA-N 390.480 3.703 0 40 GHAB Fc1ccc2ncnc(N3CCC(COc4ccc(C5CC5)nn4)CC3)c2c1 1775965516 AYXBYANORDLVBT-UHFFFAOYSA-N 379.439 3.732 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CCOCC2)cc1 23105766 XDGBDUUNSXFUTI-SFHVURJKSA-N 376.859 3.591 0 40 GHAB O=C(c1ccc2nsnc2c1)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219212846 LIMFWAKNJLWOIC-GOSISDBHSA-N 399.497 3.740 0 40 GHAB CO[C@H](CNC(=O)C(=O)Nc1ccccc1SC)c1ccc(Cl)s1 225708434 FJGXOSJFAOJSAB-LLVKDONJSA-N 384.910 3.566 0 40 GHAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1c(OCC)ccc2ccccc12 13522782 GWPJDPSLVPAWPM-IBGZPJMESA-N 384.501 3.937 0 40 GHAB Cc1cc(N)n(-c2ccc(C(=O)Nc3cccc(Cn4ccnc4C)c3)cc2)n1 19717837 NVMSSSCRMJPWEN-UHFFFAOYSA-N 386.459 3.568 0 40 GHAB CC(C)CC[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105948 AFQJXIHLHYXWJT-LBPRGKRZSA-N 380.337 3.849 0 40 GHAB C[C@H](NC(=O)NCCOc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 28996889 XGVYUWLGYYUMNT-AWEZNQCLSA-N 385.439 3.613 0 40 GHAB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1 905064 ZWVKNMLAYGFYLD-UHFFFAOYSA-N 385.468 3.606 0 40 GHAB COc1cc(OC)cc(-c2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)o2)c1 929492 ZMRKFBCXUZOFHH-CHWSQXEVSA-N 391.493 3.635 0 40 GHAB C[C@@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=S)n2-c2ccc(F)cc2)C1 20567757 QXPGAPYCMYPNOO-ZDUSSCGKSA-N 382.464 3.980 0 40 GHAB O=C(NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)C(Cl)(Cl)Cl 3177401 DIAMMJUFENOIKH-UHFFFAOYSA-N 399.872 3.968 0 40 GHAB CCCNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1C 3430112 IIEGJECBHUYKMW-UHFFFAOYSA-N 381.505 3.564 0 40 GHAB O=C(c1ccc(OCc2cccnc2)cc1)N1CCN(Cc2ccccc2)CC1 32032250 JTLNZINRRHAFRA-UHFFFAOYSA-N 387.483 3.619 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 6944882 UPJLKVPUJNSMLK-GOSISDBHSA-N 388.533 3.804 0 40 GHAB Cc1cccc(NC2=N[C@H](c3c[nH]c4ccccc34)n3c(nc(C)cc3=O)N2)c1 7495828 NZTPIGHHQUELOT-FQEVSTJZSA-N 384.443 3.782 0 40 GHAB O=S(=O)(NCCSCc1ccccc1)c1ccc(Br)cc1 7689451 NWSODBRCVULEQJ-UHFFFAOYSA-N 386.336 3.661 0 40 GHAB Cc1cccc(N2CCN(C(=O)CCc3nc(-c4cccs4)no3)CC2)c1C 7849539 OAPMAIRHXCBGBY-UHFFFAOYSA-N 396.516 3.696 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3c(=O)n2C2CC2)c1C 7860035 RYPCKRNSHBMKNE-UHFFFAOYSA-N 395.484 3.854 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1cccc2ccccc12 8169442 YAWNELFCFJPADD-UHFFFAOYSA-N 390.411 3.523 0 40 GHAB Cc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccc2c(c1)NC(=O)CO2 11904326 LJJMVJHJVKFEDV-UHFFFAOYSA-N 383.404 3.841 0 40 GHAB CN(C)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1C(F)(F)F 32828732 YZOIRFGBMOLVOF-UHFFFAOYSA-N 396.394 3.515 0 40 GHAB COCc1ccccc1CNC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 32803414 QJVKOVRQFKIOGZ-NRFANRHFSA-N 384.476 3.801 0 40 GHAB CNc1nnc(SCCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)s1 32871215 YNBRFMBWOMNCSH-UHFFFAOYSA-N 388.522 3.503 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1 102422502 AUGUGOVRIIYGRI-FTRWYGJKSA-N 382.485 3.662 0 40 GHAB CC(C)[C@H](NC(=O)CN1CCc2ccccc2C1)c1ccc2c(c1)OCCCO2 37189597 XGQHUIUYTGQTOO-DEOSSOPVSA-N 394.515 3.720 0 40 GHAB C/C=C/C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 9062343 LJTJAXYNQQDYTI-ZZXKWVIFSA-N 394.456 3.981 0 40 GHAB CSc1nnc(SCc2csc(-c3ccc(C(N)=O)cc3)n2)s1 52889382 KSLHTVVBVQSUTL-UHFFFAOYSA-N 380.545 3.775 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc(-n4cnnn4)c(C)c3)ccc2c1 29104869 IUPQMWXPAIZFFM-HNNXBMFYSA-N 387.443 3.875 0 40 GHAB CCCCC(=O)NC(=S)Nc1cc(C)c(I)c(C)c1 57314012 OUPWHXRRMIBDSM-UHFFFAOYSA-N 390.290 3.911 0 40 GHAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1nc2ccc(Cl)cc2s1 22961489 FOEHUXIKGPCYCN-UHFFFAOYSA-N 387.770 3.769 0 40 GHAB Cc1ccc2oc(CN3C[C@H]4CCC[C@H](C3)C4(O)c3nccn3C)c(C)c2c1 100150155 SRHBVUFWHMYBLU-QZTJIDSGSA-N 379.504 3.903 0 40 GHAB O=C(Cc1cnc(-c2ccccc2F)s1)Nc1ccc(Cn2cncn2)cc1 12391609 VKYYEVHRZNQVAU-UHFFFAOYSA-N 393.447 3.770 0 40 GHAB O=C(NCc1ccccc1F)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 26775905 XAVLDNWKARXADX-UHFFFAOYSA-N 381.373 3.772 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)cc1 23172615 PMVNIXFMDFPZQK-UHFFFAOYSA-N 388.470 3.810 0 40 GHAB C[C@@H](SCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1nc2ccccc2[nH]1 12556575 ZXCRABPVAHLFHP-CYBMUJFWSA-N 394.500 3.888 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc2cn[nH]c12 12561151 VSMRCHRMGAZHCZ-UHFFFAOYSA-N 396.266 3.525 0 40 GHAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(-n2cccc2)cc1 24924645 UGCFIBKOYKBQKB-UHFFFAOYSA-N 392.484 3.828 0 40 GHAB Cc1nnc(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1Cc1ccccc1 106539416 JPNXWUXTYKWEKI-QZHFEQFPSA-N 384.549 3.668 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 1457820 ZLUNBVCXWQHWKZ-IBGZPJMESA-N 382.891 3.777 0 40 GHAB CC(=O)c1cc(CCC(=O)N2CCCN(C)c3nc4ccccc4nc32)oc1C 25319911 RZCPGWPWXGHTRW-UHFFFAOYSA-N 392.459 3.540 0 40 GHAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1cc(Cl)ccc1Cl 10544219 VMIBWXNUBREBGJ-AWEZNQCLSA-N 379.353 3.926 0 40 GHAB CCOc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)O2)cc1OCC 57371397 QXCVGDWAAQSIRQ-LFIBNONCSA-N 381.384 3.527 0 40 GHAB C[C@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1ccc2c(c1)CCC(=O)N2 57495869 FITPQINGXJEHCH-ZDUSSCGKSA-N 394.862 3.901 0 40 GHAB Cc1cc(CN2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)no1 57897519 ROVUFHGLVJLEBW-UHFFFAOYSA-N 376.460 3.685 0 40 GHAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 57992936 YOTKSCPMOUMAFU-WWGRRREGSA-N 375.387 3.737 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 3324267 WLDQJYAQKHIYLH-UHFFFAOYSA-N 376.460 3.997 0 40 GHAB CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 27662018 WCDNRWJSUDQKEQ-FQEVSTJZSA-N 388.895 3.542 0 40 GHAB COC(=O)c1cccn2cc(COc3cc4oc(=O)cc(C)c4cc3Cl)nc12 10393725 QWTDAUZVKYIUAK-UHFFFAOYSA-N 398.802 3.768 0 40 GHAB CCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2sccc2C1 58306731 GKGHYHRHRPIZNI-MRXNPFEDSA-N 376.909 3.885 0 40 GHAB CCn1c(=O)n(CC(=O)Nc2nc3ccc(Cl)cc3s2)c2ccccc21 10414206 FGTMGRPVQMIZJV-UHFFFAOYSA-N 386.864 3.725 0 40 GHAB CC(C)(C)c1ncc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cn1 58405413 WZRHFMVRDZYVBD-UHFFFAOYSA-N 377.370 3.781 0 40 GHAB COc1ccc(CCC(=O)OCC(=O)Nc2ccccc2SC)cc1OC 3360940 LGBJFICOHDNLOD-UHFFFAOYSA-N 389.473 3.540 0 40 GHAB COc1ccc2cc(C(=O)O[C@H](C)C(=O)N(C)c3ccccc3)c(C)nc2c1 10726014 NAHOUEAEQHEDAE-OAHLLOKOSA-N 378.428 3.760 0 40 GHAB C[C@@H](C(=O)N[C@H](c1ccccc1)C1CCCC1)N1C(=O)c2ccccc2C1=O 2337478 CWAXEJXJFKZJHD-MGPUTAFESA-N 376.456 3.719 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1C(=O)NC[C@H]1CCCO1 12784226 JUBBWWIAZLGLKU-QGZVFWFLSA-N 391.471 3.648 0 40 GHAB Cn1ccnc1CN1CCC(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)CC1 48303217 PRPQNTUWWUCYKZ-HXUWFJFHSA-N 382.552 3.926 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 12948498 HYPTXPCQIIDJJU-MRXNPFEDSA-N 399.447 3.870 0 40 GHAB O=C(CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)Nc1cccnc1Cl 12903266 CIOSJPMFTSZBSZ-VMPITWQZSA-N 389.843 3.893 0 40 GHAB COc1ccc(OC)c(/C=C/[C@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)c1 4000204 HCADPIFLFPOREN-YSESTWPTSA-N 378.472 3.649 0 40 GHAB biogenic CCOc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)NC(C)C 408700832 MPXNRFLJISGESV-UHFFFAOYSA-N 396.553 3.615 0 40 GHAB CC(C)N1CCC2(CC1)Oc1ccccc1-c1nn(CCN3CCCC3)cc12 306137742 RESUBBHZZKLFLN-UHFFFAOYSA-N 380.536 3.738 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(OC)cc1 5208389 JDWOXGZECLPWRJ-UHFFFAOYSA-N 398.488 3.713 0 40 GHAB CCCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccncc1 5430371 BFNBELJBVKRVTI-UHFFFAOYSA-N 388.884 3.529 0 40 GHAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCCO3)o1 5434729 CNJVBRPDRQJRKV-UHFFFAOYSA-N 397.456 3.937 0 40 GHAB CCN(CC)CCn1cnc2c(c1=N)[C@@H](c1ccccc1)c1ccc(O)cc1O2 6660553 ZRFYNVZVCZDWRP-FQEVSTJZSA-N 390.487 3.696 0 40 GHAB Cc1ccccc1-n1c(C)nnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 5619908 BYDOAMIEYHGUDA-CYBMUJFWSA-N 377.473 3.974 0 40 GHAB CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)N3CCCCCC3)cc2)cc1 4827666 YBIOYVHXPVKVAY-UHFFFAOYSA-N 395.455 3.838 0 40 GHAB CCCc1cc(=O)[nH]c(SCc2nnc(-c3cc(C)c(CC)s3)o2)n1 8938178 VABOTIUVTYVWFQ-UHFFFAOYSA-N 376.507 3.997 0 40 GHAB COc1cccc(CSc2nc3nccnc3c(=O)n2Cc2ccccc2)c1 6818544 KSDHTRWKTRJDMQ-UHFFFAOYSA-N 390.468 3.536 0 40 GHAB NC(=O)c1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCCCCC3 18195082 KYRCVVMAATUWTA-UHFFFAOYSA-N 394.500 3.889 0 40 GHAB CCn1c(SCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)nnc1C1CC1 7618704 GRVCEGSLTAHZRD-UHFFFAOYSA-N 396.520 3.709 0 40 GHAB CCOC(=O)c1c(NC(=O)c2nn(-c3ccccc3)nc2C)sc(C)c1C 16006787 BLWPBCYELIZINY-UHFFFAOYSA-N 384.461 3.683 0 40 GHAB CCc1ccccc1N1C[C@H](C(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)CC1=O 7737063 YVIBGPNTAACVID-XJKSGUPXSA-N 382.426 3.791 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc(-c3ccco3)on2)CC1 7875231 NLKJMIWWPJGMMZ-UHFFFAOYSA-N 395.415 3.514 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(COC(=O)C2(c3ccccc3)CCC2)n1 16376645 FZCZUAZXHCFVCJ-UHFFFAOYSA-N 389.459 3.671 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8039968 GZPSMMVNXKIRPO-FQEVSTJZSA-N 399.512 3.862 0 40 GHAB CC(C)[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 8124370 RIBWDUYLRKSTOP-YKNILIKBSA-N 381.428 3.713 0 40 GHAB CCN(CC)CCCC1CCN(CC(=O)N(C)Cc2ccc(F)cc2)CC1 96007908 BBUYHHKTZNHWCO-UHFFFAOYSA-N 377.548 3.618 0 40 GHAB C[C@H](NC(=O)CSc1nnnn1C1CCCCC1)c1cc2ccccc2o1 9549176 JMGIKBBNEJJEII-ZDUSSCGKSA-N 385.493 3.894 0 40 GHAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1ccc2ccccc2c1 9834582 NWVCNMGHDFGRTP-QFIPXVFZSA-N 390.464 3.868 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3cccc4cccc(C(=O)O)c34)o2)cc1 20495947 XAIMQVAKLYGSOZ-UHFFFAOYSA-N 389.367 3.849 0 40 GHAB Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)N[C@@H](C)c4cccs4)C3)nc2)n1 77200440 LOUIPDYPUXXXNY-XJKSGUPXSA-N 397.504 3.595 0 40 GHAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@H]1C[C@H]1c1ccccc1Br 84502216 FVJMHVACXJXKDS-BPUTZDHNSA-N 390.281 3.567 0 40 GHAB O=C(NCC[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1Cc2ccccc2S1 95408291 XVMHEUFUKQUOGR-FUHWJXTLSA-N 381.419 3.660 0 40 GHAB CC(C)(C)Oc1ccc(C(=O)Nc2ccc(F)cc2NS(C)(=O)=O)cc1 95459654 AZWBWDZQZXMYQM-UHFFFAOYSA-N 380.441 3.627 0 40 GHAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2ncccc2c1 79192422 OBXGNYNHWMFVBS-GHTZIAJQSA-N 387.391 3.797 0 40 GHAB biogenic COc1ccc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)c(F)c1 95957432 VCSNOCSJXWFRAP-UHFFFAOYSA-N 383.379 3.926 0 40 GHAB COc1ccnc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)c1 95959975 MVDCOICQQIVQRF-UHFFFAOYSA-N 391.456 3.867 0 40 GHAB Cc1nc(-c2cccc(NC(=O)CCc3c(C)nc4ncnn4c3C)c2)cs1 9951518 AAMUGPMNMXTIRU-UHFFFAOYSA-N 392.488 3.744 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)NCC2(N3CCOCC3)CCCCC2)ccc1Cl 27992496 LETNZFLEMRHWAW-KRWDZBQOSA-N 394.943 3.567 0 40 GHAB CC(C)Cn1ncc2cc(C(=O)N3CCC[C@H]3COc3ccc(F)cc3)cnc21 513360917 WDABRRSCGCWCNM-IBGZPJMESA-N 396.466 3.910 0 40 GHAB CC1CCN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 408706932 FIYSLSIKKBDSTA-HXUWFJFHSA-N 391.515 3.910 0 40 GHAB O=C(CCCc1ccccc1)NC[C@H](c1ccccc1Cl)N1CCOCC1 36396565 SQSPZBPMVZKUJE-OAQYLSRUSA-N 386.923 3.852 0 40 GHAB O=c1n(CCNc2ccccc2SCc2ccccc2)nc2ccccn12 37176356 LHFWMGWGLBYRGH-UHFFFAOYSA-N 376.485 3.900 0 40 GHAB Cc1cccc(C)c1NC(=O)c1sc2ncn(C[C@@H]3CCCO3)c(=O)c2c1C 35673334 TXMZHXSFJJTYMU-HNNXBMFYSA-N 397.500 3.815 0 40 GHAB Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3ccc(N)nc3)CC2)cc1 72363042 MQMOHMOJRXBMNM-UHFFFAOYSA-N 389.459 3.574 0 40 GHAB CCn1ncc(-c2cc(C(F)F)nc(NC[C@H](C)Cn3ccc(C)n3)n2)c1C 36612869 XVNFYNDNVIRIAO-LBPRGKRZSA-N 389.454 3.859 0 40 GHAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 219315965 BTQJVHKLELDYLF-GOSISDBHSA-N 395.459 3.870 0 40 GHAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@H](c2ccsc2)C1 670890602 UHEMUSDADFZQFX-NSHDSACASA-N 377.409 3.825 0 40 GHAB CC(=O)N1CCC(N2CC[C@@H](c3nc(C)cc(Oc4ccccc4C)n3)C2)CC1 72384361 PTKARJMLXLWCNM-LJQANCHMSA-N 394.519 3.686 0 40 GHAB CCOc1ccc([C@@H](C)NC(=S)Nc2ncccc2OC)cc1OCC 225752516 FSDRWHPHNUOJCB-CYBMUJFWSA-N 375.494 3.935 0 40 GHAB Cc1ccc(-c2nnsc2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 225775681 GQXNSPHSUOOMAB-UHFFFAOYSA-N 382.464 3.615 0 40 GHAB COC(=O)[C@@H](C)Sc1nnc(NC(=O)C2(c3cccs3)CCCC2)s1 43939680 XGYNXLJSDGZMML-SNVBAGLBSA-N 397.547 3.704 0 40 GHAB Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)cc1C 224664335 HEECKEYYLBHRCU-SFHVURJKSA-N 384.495 3.927 0 40 GHAB O=C(c1cnc(-c2cccc(F)c2)nc1)N1CCN(c2cccc(Cl)c2)CC1 222625650 JUZKNGLZJGWLBZ-UHFFFAOYSA-N 396.853 3.899 0 40 GHAB Cc1ccccc1-c1noc(CN(C)C(=O)COc2cccc3c2CCCC3)n1 225262307 PUALZWIMNZNHTF-UHFFFAOYSA-N 391.471 3.961 0 40 GHAB COC(=O)CSc1nnc(NC(=O)CCc2ccc(C(C)(C)C)cc2)s1 225847017 OZZDTPKDBYUWQW-UHFFFAOYSA-N 393.534 3.672 0 40 GHAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2cccc(Cl)c2C)c1=O 225969130 QWQPISUHAIQHEM-UHFFFAOYSA-N 376.840 3.600 0 40 GHAB CCS(=O)(=O)[C@](C)(Br)[C@@H](O)c1ccc(-c2ccccc2)cc1 96521354 NUYYQECMFJLCCX-IRXDYDNUSA-N 383.307 3.933 0 40 GHAB CCCc1ncc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccccc3OC)C2)cn1 248195404 OXYYHSFARQYGBZ-JXHRLWIKSA-N 381.520 3.557 0 40 GHAB C[C@@H](c1ccccc1)n1ccc(NC(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)n1 682101991 WFBOKNMSXJKXDE-MAUKXSAKSA-N 389.459 3.740 0 40 GHAB O=C(NC[C@H](C[C@H]1CCOC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 685944991 NFNSQJCGCBLTDW-CVEARBPZSA-N 395.455 3.653 0 40 GHAB O=S(=O)(NCCc1ccc(Br)s1)c1ccc(F)c(Cl)c1 14210444 NNGVRAIXZOQITP-UHFFFAOYSA-N 398.706 3.824 0 40 GHAB COc1cc2c(cc1OC)[C@@H](C)N([C@@H]1CCCN(C(=O)C3CCCC3)C1)CC2 72342510 CKCJXFOLLZJXMM-VQIMIIECSA-N 386.536 3.804 0 40 GHAB C[C@@H](C(=O)N[C@@H](CC(=O)O)Cc1cc(F)c(F)cc1F)c1ccccc1F 666370091 JHQDSXKTUZJGFG-ZYHUDNBSSA-N 383.341 3.549 0 40 GHAB CCC(=O)Oc1c(OC)cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1OC 822871 MSOSVOHGIMEWOY-DHDCSXOGSA-N 399.374 3.503 0 40 GHAB COc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)s2)cc1 4087716 APUDPULNWNQKEY-VZUCSPMQSA-N 397.456 3.883 0 40 GHAB Nc1cc(Br)ccc1NC(=O)Cc1ccc(Br)cc1 20520906 NUJVVXLQVDCOOJ-UHFFFAOYSA-N 384.071 3.975 0 40 GHAB CC(=O)Nc1cccc(OCC(=O)Nc2ccc(C)cc2Br)c1 5460992 CGCPEWOOAYBTSO-UHFFFAOYSA-N 377.238 3.733 0 40 GHAB Cc1ccc(-c2nc(NC(=O)[C@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)O)sc2C)cc1C 5795210 SFTDCKXIQFVVIG-UGUYLWEFSA-N 386.473 3.552 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(Cn2cccn2)cc1 14119522 RCUWSCOEOVQDBO-UHFFFAOYSA-N 389.484 3.688 0 40 GHAB COc1ccc(OCCC(=O)OCc2nc3ccccc3n2C(F)F)cc1 14902379 SVGHPBWRFZDAMA-UHFFFAOYSA-N 376.359 3.952 0 40 GHAB CC(=O)N1c2ccc(NC(=O)[C@H]3CC(c4ccc(Cl)cc4)=NO3)cc2C[C@@H]1C 19497809 GPQRFUDHYMCPBD-FKIZINRSSA-N 397.862 3.769 0 40 GHAB CCCC(=O)N1CC[C@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC(C)C)C1 19501047 RCOOWKOGQJWKTC-XMMPIXPASA-N 393.531 3.835 0 40 GHAB COc1ccc(CN(C)C(=O)c2ccc(Oc3ncccn3)cc2)cc1OC 19586406 DVFAACXIEKFTPI-UHFFFAOYSA-N 379.416 3.558 0 40 GHAB COc1ccc(OC)c(-c2n[nH]c(C(=O)N[C@@H]3CCOc4ccccc43)c2C)c1 19666869 MUCRBWLHLNJUNJ-QGZVFWFLSA-N 393.443 3.656 0 40 GHAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCCCN2CC(C)(C)C)n1 19687701 UZWZWEBQJLMDQS-LJQANCHMSA-N 395.551 3.882 0 40 GHAB O=C(COc1ccc2ccccc2c1)N1CCN(C[C@@H]2C[C@@H]3C=C[C@@H]2C3)CC1 169313256 NAZVMRKYJCRHEF-QIJUGHKUSA-N 376.500 3.575 0 40 GHAB Cn1ncc(C2CCC2)c1C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1 615126292 INEWKMKPDABOEH-UHFFFAOYSA-N 392.547 3.816 0 40 GHAB O=C(CCC(=O)N1CCC(c2noc(-c3ccccn3)n2)CC1)c1cccs1 12668813 PQQSJNZRRAWXNQ-UHFFFAOYSA-N 396.472 3.562 0 40 GHAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N=c1cc(C)n([C@H](C)C3CC3)[nH]1)C2 558497298 VOZVPRQOKNKKTG-OAHLLOKOSA-N 380.492 3.672 0 40 GHAB CC[C@H](C(=O)Oc1coc(CSc2ncccn2)cc1=O)c1ccccc1 4377353 BCWFLYPUKILOBW-INIZCTEOSA-N 382.441 3.821 0 40 GHAB O=C(NCCSc1ncc(-c2ccccc2)[nH]1)c1ccc(Br)o1 4315501 LNMJXCUWMILECE-UHFFFAOYSA-N 392.278 3.954 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(NC(=O)NC(C)(C)C)s2)cc1 4851469 SQNPWFCXNMTZJP-UHFFFAOYSA-N 393.538 3.751 0 40 GHAB CN1CCN([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)CC1 22579417 LFYRKDLSKCQEHQ-QFIPXVFZSA-N 397.538 3.842 0 40 GHAB COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCN(C(C)C)C2 4086922 JSEGOQPXSMUSBX-UHFFFAOYSA-N 376.453 3.693 0 40 GHAB COC(=O)Cn1/c(=N/C(=O)CCc2ccccc2)sc2cc(Cl)ccc21 100876368 UZOZGLXBCVRLBZ-VZCXRCSSSA-N 388.876 3.589 0 40 GHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc2ccc(C)cc2s1 40019997 JCPSBFNXAQCHLR-SFHVURJKSA-N 392.484 3.772 0 40 GHAB O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccc(Cl)c(Cl)c1 20103336 ZCMWXDFSLXNLDV-AWEZNQCLSA-N 375.215 3.519 0 40 GHAB CCOc1ccc(CCN2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1OCC 100137942 PVBIGRMLVGEHMQ-LJQANCHMSA-N 381.472 3.644 0 40 GHAB CC(=O)N1C[C@@H](C(=O)N(c2ccccc2)c2nc(C)cs2)Oc2ccccc21 7989718 BWWBVOFECXKERS-IBGZPJMESA-N 393.468 3.930 0 40 GHAB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)N1CCCC1 916694 VFONVRRPARODQZ-UHFFFAOYSA-N 396.516 3.745 0 40 GHAB COc1ccc2cc(C)c3nnc(SCC(=O)N4CCCC[C@@H]4C)n3c2c1 928438 HGJIVMITVFFGFV-AWEZNQCLSA-N 384.505 3.693 0 40 GHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](c2cccs2)C2CC2)c1 11282329 JPCDXVQVRUQECR-MRXNPFEDSA-N 398.937 3.533 0 40 GHAB CCOC(=O)c1nnn2c1nc(Sc1nc3ccccc3o1)c1ccccc12 1035690 YNTYYNZCCBUMHB-UHFFFAOYSA-N 391.412 3.747 0 40 GHAB Cc1ccc2c(c1)c1nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nc1n2C 1366120 XTWIQHBQDBHINP-DZGCQCFKSA-N 383.521 3.612 0 40 GHAB Cc1nn(Cc2ccc(C(=O)N3CCCCCC3)o2)c(C)c1Br 2753937 XRQOKAWJMWEUEE-UHFFFAOYSA-N 380.286 3.920 0 40 GHAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 3549031 SGCDJNJAMHRTBW-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB O=C1c2ccccc2C(=O)N1c1cccc(NC(=O)C(Cl)(Cl)Cl)c1 6885814 NBIHVIJKTSCTNM-UHFFFAOYSA-N 383.618 3.796 0 40 GHAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)n1 6968464 KSDZVYMGFBUERE-MHWRWJLKSA-N 381.457 3.682 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CNc1cccc(Cl)c1F 11624308 HGGALFHALROYCL-UHFFFAOYSA-N 384.238 3.608 0 40 GHAB O=C(CCN1C(=O)COc2ccccc21)Nc1nc(-c2cccc(F)c2)cs1 29354763 GCSXADUHVPZZIR-UHFFFAOYSA-N 397.431 3.703 0 40 GHAB CCCCCn1c(=O)c(C(=O)Nc2nnc(CC)s2)c(O)c2ccccc21 100702801 JOJCGYUILXXOKY-UHFFFAOYSA-N 386.477 3.564 0 40 GHAB COc1ccc(C(=O)NC2CCN(C(=S)Nc3cccc(C)c3C)CC2)cc1 8829270 IBYODQPEIUWCNP-UHFFFAOYSA-N 397.544 3.903 0 40 GHAB aggregator C[C@@H]1C[C@H](N(c2ccccc2)S(C)(=O)=O)c2ccccc2N1C(=O)C1CC1 10153276 XZEXBJLBJIOBCE-QRWLVFNGSA-N 384.501 3.729 0 40 GHAB CC(=O)N1CCC(C(=O)N(C)Cc2ccc(Cl)s2)(c2ccccc2)CC1 32701945 ZYESHCQJZQVVGG-UHFFFAOYSA-N 390.936 3.940 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccccc1 101996592 CTKZRGNTAQNXDM-QRVBRYPASA-N 376.437 3.799 0 40 GHAB Cc1cccc(C)c1OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 102550003 DEFIZDAQWQIDTH-CPLUKWAASA-N 387.435 3.834 0 40 GHAB COc1cc(NC(C)=O)c(C(=O)OCc2nc3ccccc3s2)cc1OC 9923013 AXKZHQFREGTBPP-UHFFFAOYSA-N 386.429 3.629 0 40 GHAB COC[C@@H](C)n1c(S[C@@H](C)C(=O)c2ccccc2)nc2ccccc2c1=O 12003155 BFBFXYJDLGNBBO-CABCVRRESA-N 382.485 3.967 0 40 GHAB CCOc1ccc(-c2nc(CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)cs2)cc1OC 102793411 LFXAMQPOTAMCCY-IYBDPMFKSA-N 398.484 3.669 0 40 GHAB CCOc1cc(CNCc2ccccc2)ccc1OCC(=O)N1CCCCC1 60806192 QDCVDRJLRVKRTO-UHFFFAOYSA-N 382.504 3.766 0 40 GHAB Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@](CC(C)C)(c3ccccc3)C2=O)c1 8127952 GNVHMRXEGNCNEF-HSZRJFAPSA-N 393.487 3.735 0 40 GHAB O=C(Nc1cc(Br)ccc1O)[C@@H]1CC(c2ccccc2Cl)=NO1 814989 NQUDWHSRLAEDSE-HNNXBMFYSA-N 395.640 3.940 0 40 GHAB CC(C(=O)Nc1cccc(-c2noc(=O)[nH]2)c1)(c1ccccc1)c1ccccc1 104390579 CASURLQVGWVFHY-UHFFFAOYSA-N 385.423 3.975 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1)c1ccco1 23897253 BSGVGMOPEAWMPG-FQEVSTJZSA-N 376.412 3.746 0 40 GHAB CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1ccccc1F)S(C)(=O)=O 113967047 BLDJNEPYDJVUMC-MRXNPFEDSA-N 378.469 3.626 0 40 GHAB C[C@H]1c2ccsc2CCN1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 25454328 LXJJGSBJQLOZLM-INIZCTEOSA-N 380.517 3.512 0 40 GHAB CCN(CC)C[C@H]1CCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 107145937 CRBJTMKFGZDLFD-NHCUHLMSSA-N 393.575 3.944 0 40 GHAB Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1 20035252 KOKICXAIAJGJRW-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB COc1cccc(-c2nc(CNc3ccc(C)c(-n4cnnn4)c3)cs2)c1 25743442 XFKXTGZPAZNNJG-UHFFFAOYSA-N 378.461 3.715 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N[C@H](C)c2ccccc2Cl)cc1 57452190 KHNJKTJMNOHDCV-HZPDHXFCSA-N 387.911 3.785 0 40 GHAB O=C(OCC(=O)N1CCCCC1)c1ccccc1C(=O)c1ccc(Cl)cc1 3215947 FDHLHLVOLUKNCL-UHFFFAOYSA-N 385.847 3.740 0 40 GHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1cc(F)ccc1Br 12626473 KRJROZWRWBPKAA-UHFFFAOYSA-N 388.240 3.763 0 40 GHAB CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)CC(=O)N32)cc1 2093521 WQYIDPVTSLAUDR-REWPJTCUSA-N 387.483 3.606 0 40 GHAB biogenic Cc1nc2ccccc2nc(C)c1=NOCC(=O)N(c1ccccc1)C(C)C 3375559 DSNFGZRNSLUELX-UHFFFAOYSA-N 376.460 3.521 0 40 GHAB COc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 22131942 FYXMZQMZEJJGLJ-LJQANCHMSA-N 383.444 3.599 0 40 GHAB Cc1c(CC(=O)NCCCC(=O)O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 2124731 QVHIHKXQHZRFIE-UHFFFAOYSA-N 399.443 3.669 0 40 GHAB biogenic O=C(NCCCOCc1ccco1)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1 58325131 BRVCIZGPXYLRGS-UHFFFAOYSA-N 381.436 3.671 0 40 GHAB O=C(CN1CCC(c2cc3ccccc3[nH]2)CC1)N[C@H]1CCOc2ccccc21 58433826 AEWJMRWJQYXZPG-NRFANRHFSA-N 389.499 3.987 0 40 GHAB O=C(NCc1ccccc1OC(F)(F)F)c1ccccc1N1CCCC1=O 12740415 XMQNNZPIBWPBKU-UHFFFAOYSA-N 378.350 3.642 0 40 GHAB O=C(O)CCCCCNC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21 36358463 NERDFILMZIGHDV-UHFFFAOYSA-N 394.471 3.982 0 40 GHAB CCN(CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccccc1C 48355875 CXJAHFRUKGHSJP-UHFFFAOYSA-N 380.532 3.682 0 40 GHAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccnn1Cc1ccccc1Cl 12890622 DPCNCSYBRMPGLP-UHFFFAOYSA-N 396.834 3.522 0 40 GHAB COc1ccccc1CNC(=O)CSc1ncnc2sc3c(c12)CCC3 3486677 YIKHKHNRSMOZDS-UHFFFAOYSA-N 385.514 3.597 0 40 GHAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(Cc2ccccc2)CC1 12985451 NTPRYFXGXUFCMK-UHFFFAOYSA-N 381.476 3.907 0 40 GHAB O=C(c1ccc(N2C(=O)c3ccccc3C2=O)cc1)N1CCc2ccccc2C1 12922346 OZXQUORKFKXTOD-UHFFFAOYSA-N 382.419 3.686 0 40 GHAB O=C(O)c1ccc(F)c(S(=O)(=O)Oc2ccccc2Cc2ccccc2)c1 13093614 LMBIWJNHSMMFGM-UHFFFAOYSA-N 386.400 3.882 0 40 GHAB C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)N1CCCCCC1 8315912 JBEYHTLSAMFVFH-OAHLLOKOSA-N 381.505 3.699 0 40 GHAB Cc1cccn2cc(-c3ccc(NC(=O)CN4CCCCCC4=O)cc3)nc12 69454820 DZICBNJTJKYBIO-UHFFFAOYSA-N 376.460 3.651 0 40 GHAB Cc1ccccc1OCCn1c(CCNC(=O)c2ccco2)nc2ccccc21 4386815 NFTYDYYYRGXIMD-UHFFFAOYSA-N 389.455 3.989 0 40 GHAB C[C@H](Nc1nc(Nc2ccccc2F)nc(Nc2ccccc2F)n1)C(=O)O 8569831 VJDJUEYXSZXYNP-JTQLQIEISA-N 386.362 3.522 0 40 GHAB Cc1ccc(C)c(OCCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 14171460 MTAJKMWSHRQMHM-SFHVURJKSA-N 396.487 3.620 0 40 GHAB O=C(Oc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1)c1cccc2ccccc12 4556448 KRLDULOSHQRRFI-MOPGFXCFSA-N 379.437 3.847 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 4554948 AHALKAVMRVHIRE-UHFFFAOYSA-N 388.427 3.998 0 40 GHAB COc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2ccccc2C)c2ccco2)cc1 5452041 YHKIGQOYSMOLPN-QFIPXVFZSA-N 376.412 3.868 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)cc3)C2=O)c(C)c1 4723283 AOLPLRCMLYATGL-LICLKQGHSA-N 382.441 3.684 0 40 GHAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C)CC2)cc1OC 4811402 HHSCXQURKZDLJL-LJQANCHMSA-N 393.487 3.669 0 40 GHAB Cc1cc(N2CCN([C@@H](C)C(=O)c3c[nH]c4ccccc34)CC2)nc(C(C)C)n1 15032927 IAERHULCEOJOAP-KRWDZBQOSA-N 391.519 3.783 0 40 GHAB CN(CC(=O)Nc1ccccc1C(C)(C)C)S(=O)(=O)/C=C/c1ccccc1 6906470 JIHGVJRLYHACPH-CCEZHUSRSA-N 386.517 3.855 0 40 GHAB COc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2ccc(OC)c(OC)c2)cc1 8739873 AQKKSCJMQBCGJZ-KRWDZBQOSA-N 393.443 3.681 0 40 GHAB Cn1ncc2c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)ncnc21 8734456 IAMKWGNONODNDG-UHFFFAOYSA-N 391.456 3.886 0 40 GHAB CCOc1ccc(-c2cc3c(SCC(=O)NC(C)(C)C)nccn3n2)cc1 67290516 QOFRPSJQSRLMIY-UHFFFAOYSA-N 384.505 3.802 0 40 GHAB CCCCn1c(SCC(=O)Nc2ccccc2C)nc2cc(C)[nH]c2c1=O 67238381 IIDFPOXDYBNJSK-UHFFFAOYSA-N 384.505 3.872 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)CS[C@@H](C)c3nc4ccccc4[nH]3)cc2NC1=O 7118898 GGBVVLVHBUUVBO-RYUDHWBXSA-N 396.472 3.715 0 40 GHAB C[C@@H](O)CCC(=O)NCCc1nc2ccccc2n1Cc1cccc(Cl)c1 7546317 COSHBZDFJNIBRV-OAHLLOKOSA-N 385.895 3.558 0 40 GHAB CS(=O)(=O)N1CCCc2cc(-c3csc(-c4cccc(O)c4)n3)ccc21 68479921 ZIPAWMRRWLHFQL-UHFFFAOYSA-N 386.498 3.895 0 40 GHAB CN(Cc1nnc2n1CCC2)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 8938859 VBQYARVUEUMYQS-UHFFFAOYSA-N 388.471 3.513 0 40 GHAB COc1ccc(C(=O)Nc2sc3c(c2CN2CCN(C)CC2)CCCC3)cc1 19360807 RGMBPWYGNZFLNB-UHFFFAOYSA-N 399.560 3.635 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 9709864 GTAHAAVDMCHULJ-UHFFFAOYSA-N 391.475 3.990 0 40 GHAB CCn1cc2c(C(F)F)cc(=O)n(CCC(=O)Nc3cccc(C)c3C)c2n1 36621299 REAUHRQSZDGSAR-UHFFFAOYSA-N 388.418 3.801 0 40 GHAB CC(C)(C)[C@H](NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1cc2ccccc2o1 95996275 FBSJFDYPOXRBOK-WOIUINJBSA-N 386.536 3.847 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900490 YBVGYFIOYHRDMU-OAQYLSRUSA-N 393.462 3.646 0 40 GHAB CCN(CCCNC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1 9920161 BGTGYEZXKQVRHC-UHFFFAOYSA-N 399.560 3.633 0 40 GHAB Cn1nccc1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCCC2 20441486 PKIDGRFNJANMAE-UHFFFAOYSA-N 398.488 3.526 0 40 GHAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)NCc2cccc(Cl)c2)CC1=O 408706959 FTJMNPGRYWGBEW-AWEZNQCLSA-N 377.271 3.971 0 40 GHAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)/C=C/c2ccco2)c1 408625445 DLVACUWMOFINQS-SOFGYWHQSA-N 377.853 3.808 0 40 GHAB O=C(NCc1ccco1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 34684065 FXQUFBCEEJXBNM-UHFFFAOYSA-N 389.499 3.527 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc21 64947120 WHKUJUSDDABMDF-UHFFFAOYSA-N 376.503 3.891 0 40 GHAB C[C@@H]1Oc2ccccc2N([C@@H](C)C(=O)N[C@@H](C)c2nc3ccccc3s2)C1=O 36734651 YEDRQXILIRWZMU-IHRRRGAJSA-N 395.484 3.676 0 40 GHAB CCN(CC)C(=O)CN1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72348761 XRZBREMUQKEWCU-LJQANCHMSA-N 383.511 3.859 0 40 GHAB COC(=O)c1cccc(NC(=O)COc2cc(C)c(Br)c(C)c2)c1 218838878 SIPYSGZZKOWUBB-UHFFFAOYSA-N 392.249 3.870 0 40 GHAB Cc1ccc(O[C@@H](Cc2ccc(I)cc2)C(=O)O)cc1 225067587 HJFXQSQPPRCQLT-HNNXBMFYSA-N 382.197 3.674 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccccc1C 225412018 XXYJJZWKWIIQQU-MRXNPFEDSA-N 388.508 3.531 0 40 GHAB CC(C)Oc1nnc(S[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)s1 48310445 XBOCLEKALOBJOM-HDPALTEOSA-N 381.567 3.891 0 40 GHAB CCc1ccc(O[C@@H](CC)C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224751675 IIZQRMSSQVHUJD-QHCPKHFHSA-N 396.531 3.555 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cccc(C)c1 222932712 ALRNGJXXBJFVMY-INIZCTEOSA-N 388.895 3.581 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(F)cc1 224643229 JGSFPKPRCPKTTN-OAHLLOKOSA-N 390.886 3.964 0 40 GHAB COc1cccc([C@@H](CNC(=O)c2nc(-c3ccco3)sc2C)N(C)C)c1 40062708 CQFPPHBHCIGTNB-MRXNPFEDSA-N 385.489 3.753 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 225718318 WDPXUBFSJXTNTQ-NRFANRHFSA-N 382.504 3.706 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](CC)c3ccccc3)ccc21 225729230 KFCGUTADWAPCCM-MRXNPFEDSA-N 390.530 3.903 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c(C)c1 222503665 LDORUFKXPDKUNH-AWEZNQCLSA-N 394.924 3.844 0 40 GHAB Cc1nc2ccccn2c1C(=O)NC[C@](C)(O)c1ccc(-c2ccccc2)cc1 77102104 XRLMWUHIGLZHFY-DEOSSOPVSA-N 385.467 3.947 0 40 GHAB CCc1nnsc1C(=O)N1CCC(c2cccc(-c3c(C)noc3C)n2)CC1 257250406 JMJQWMUVZBIXKH-UHFFFAOYSA-N 397.504 3.787 0 40 GHAB CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cc(Cl)c(Cl)cc2F)C1 626553700 YNZCHMRHRCRWSH-JMPLFQLZSA-N 390.286 3.896 0 40 GHAB Cc1c(C(=O)N2CC3(C[C@H](OCc4ccccn4)CCO3)C2)oc2ccccc12 575402597 CSVWURNJIJFQGC-GOSISDBHSA-N 392.455 3.727 0 40 GHAB O=S(=O)(Cc1ccccc1)Nc1cccc(N[C@H]2CCCn3ccnc32)c1 585091247 ZCQMLLVYOYAAGD-IBGZPJMESA-N 382.489 3.772 0 40 GHAB Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCc2cccnc2)cc1 5021857 NCNHYRCJXWJMPW-HMAPJEAMSA-N 385.467 3.786 0 40 GHAB Cc1cc2cc(CNc3ccc(N4CCC[C@H](O)C4)cc3)c(=O)[nH]c2cc1C 13479976 DYTBQYOIQOLOGR-NRFANRHFSA-N 377.488 3.718 0 40 GHAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 13961362 WBIAQXPKFLTJSW-ALGWMNEGSA-N 387.439 3.546 0 40 GHAB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccco3)[C@@H]2C(=O)N1c1ccccc1 17920320 CWZHOIMVEOWUSX-OTWHNJEPSA-N 394.814 3.984 0 40 GHAB Cn1cnc2cc(C(=O)Nc3nc(-c4ccc5c(c4)CCO5)cs3)ccc21 19665883 WHENGIFLKRCVOM-UHFFFAOYSA-N 376.441 3.884 0 40 GHAB Cc1cn(C)c2ccc(C(=O)NCc3ccc(CN4CCCC4=O)cc3)cc12 19714308 GIFHYBFNRATPKV-UHFFFAOYSA-N 375.472 3.539 0 40 GHAB CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(Cc2cccc(OC(C)C)c2)C1 19739207 XOUGWDANPZHKPQ-HSZRJFAPSA-N 399.535 3.766 0 40 GHAB Cc1nc([C@@H]2CCCCN2C(=O)C2CCCC2)ncc1C(=O)N1CCCCC1 19765652 HOGNUXHYJBPQSU-IBGZPJMESA-N 384.524 3.655 0 40 GHAB O=C(COc1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 19335724 NIDUOVHCZYCISV-ZDUSSCGKSA-N 387.436 3.722 0 40 GHAB CSCc1c(C(=O)OCCN2C(=O)c3ccccc3C2=O)oc2ccccc12 9786495 RYPLKFLJRIHORL-UHFFFAOYSA-N 395.436 3.749 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@H]2CN(c3ncnc4ccccc34)C[C@H]2C1 1888914176 KNOYBFUATBRJJT-OKILXGFUSA-N 385.393 3.616 0 40 GHAB COc1ccc2nc(NC(=O)c3ccc(CSc4ncn[nH]4)cc3)sc2c1 22280145 DUBJGVXONBMUPC-UHFFFAOYSA-N 397.485 3.968 0 40 GHAB Cc1cccc(OCCNC(=O)c2ccccc2OCc2c(C)noc2C)c1 28437712 COYQPSCDYYDOIF-UHFFFAOYSA-N 380.444 3.988 0 40 GHAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2ccc3c(c2)OCCO3)c(C)c1 29558972 JWFZTUYIVJWJIH-AWEZNQCLSA-N 386.473 3.904 0 40 GHAB O=C(Cc1ccccc1Cl)N1CC[C@H](Oc2ccncc2Br)C1 1776001696 HGLWZWMYSIIBJH-ZDUSSCGKSA-N 395.684 3.720 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 244947607 DSSBOCLVBQNLDJ-WOJBJXKFSA-N 386.455 3.893 0 40 GHAB O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 3206528 FIBAMJVHNDQVLH-LJQANCHMSA-N 394.496 3.879 0 40 GHAB Cc1cccc(NC(=O)C(=O)NCCSc2nc(-c3ccccc3)c[nH]2)c1C 4315885 RTNAWFSOBBOMMG-UHFFFAOYSA-N 394.500 3.541 0 40 GHAB Cc1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)cc1Cl 4852391 DAYDCMWWLOQRMR-UHFFFAOYSA-N 376.247 3.776 0 40 GHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc21 8840738 CYVSPOSLVZRMBW-UHFFFAOYSA-N 388.489 3.575 0 40 GHAB CC[C@H](C)NC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1 8852298 FVAVOWBKHCJRMY-NSHDSACASA-N 397.953 3.985 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)c(C)c1 9173296 VTYJQIBITKPEMJ-UHFFFAOYSA-N 388.489 3.770 0 40 GHAB COc1ccc(C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)cc1OC 10330505 VWSQJLGXJXQJQF-FQEVSTJZSA-N 378.472 3.890 0 40 GHAB Cc1ccc(NC(NC(=O)Cc2ccccc2)(C(F)(F)F)C(F)(F)F)nc1 19944156 PIZVARUPJLKLTK-UHFFFAOYSA-N 391.315 3.982 0 40 GHAB COC(=O)c1ccccc1C(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 44204295 PHFAYNTWIXOFER-ZDUSSCGKSA-N 397.456 3.605 0 40 GHAB CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 40034498 MMKVRSICIVVAAZ-APWZRJJASA-N 378.538 3.510 0 40 GHAB CC(C)c1nnc(NC(=O)c2cc3cc(Br)ccc3oc2=O)s1 814824 OZIGYBKTEGKGBE-UHFFFAOYSA-N 394.250 3.783 0 40 GHAB CCOC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 1161995 XHKULRVEIODBFP-PKNBQFBNSA-N 376.412 3.887 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1N 1364529 LPDXFOPKVPWAFQ-UHFFFAOYSA-N 387.896 3.931 0 40 GHAB COc1ccc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)sc2c1 2630810 LZWRZKGHRQCOTO-ZDUSSCGKSA-N 387.486 3.610 0 40 GHAB aggregator CCCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 2643450 YQIXRRDPBNXFIB-UHFFFAOYSA-N 394.924 3.930 0 40 GHAB O=C(COc1cc(Cl)c(Cl)cc1Cl)OCC(=O)N1CCCCC1 3261893 RQYOGHQAYJHDFQ-UHFFFAOYSA-N 380.655 3.581 0 40 GHAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCCN1C(=O)c2ccccc2C1=O 3289660 JNVNMNINCPODTE-CMDGGOBGSA-N 389.329 3.558 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccc2c(c1)OCCO2 3317717 MPUKWKQNEURTRW-UHFFFAOYSA-N 397.210 3.570 0 40 GHAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-c1ccccc1 3328215 JQKLSCFSGCGTRL-UHFFFAOYSA-N 383.425 3.861 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)C1 3367233 NRXKMDGZQKELTD-RKDXNWHRSA-N 379.671 3.703 0 40 GHAB CC(C)C[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O 3597366 ZEHPMRAOJBRMAJ-KRWDZBQOSA-N 397.500 3.743 0 40 GHAB COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCOCC3)n2)cc1 4329737 TXTSUYUZHYIWNX-UHFFFAOYSA-N 392.463 3.512 0 40 GHAB COc1ccc(N2C[C@H](NC(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1 4479622 XTCKAKZECBECTG-CYBMUJFWSA-N 396.472 3.540 0 40 GHAB CC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1 4599988 MAOKTPSKGNDVGZ-UHFFFAOYSA-N 381.413 3.573 0 40 GHAB O=C(NCCNC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 4615324 BIIGZDKFYWJWPV-UHFFFAOYSA-N 384.564 3.652 0 40 GHAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)cc1 4784218 GWEFGPSFTBWVQQ-IBGZPJMESA-N 388.261 3.985 0 40 GHAB Cc1ccc(NC(=O)c2nnn(Cc3cccc(C(F)(F)F)c3)c2N)cc1F 4934441 RHASEBUNPGTIHH-UHFFFAOYSA-N 393.344 3.627 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccccc2Cl)c2c(C)cccc21 4988019 HFMYHDIFRMRUEX-NRFANRHFSA-N 387.863 3.631 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 4996079 VSSPEKJXSFSJNR-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(C(F)(F)F)cc1 5169965 RSTHDRBDNZNXMM-GFCCVEGCSA-N 378.350 3.848 0 40 GHAB COc1ccc(Cc2c(N3CCCCCC3)nc3n(c2=O)CCCS3)cc1 5267102 PGXMQAKHDXJLPR-UHFFFAOYSA-N 385.533 3.719 0 40 GHAB CCOC(=O)C1=NN[C@@]2(CCc3ccccc3C2=O)[C@@H]1c1ccc(Cl)cc1 5277631 NAOJGKOEMKQKQH-UTKZUKDTSA-N 382.847 3.514 0 40 GHAB Cc1cc2oc(=O)cc(CN3C(=O)c4ccccc4S3(=O)=O)c2cc1C(C)C 5778756 SKNVHXQULMMIQN-UHFFFAOYSA-N 397.452 3.570 0 40 GHAB Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)s1 5861285 ZBWCUXRDGJHOTB-UHFFFAOYSA-N 393.464 3.879 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 5882219 QLFGNZRFLMFTDF-UHFFFAOYSA-N 394.496 3.768 0 40 GHAB in-vivo CCN(CC(=O)NCc1cccs1)C(=O)Cc1ccc(Cl)c(Cl)c1 6085413 DLPRMTNAVIQISS-UHFFFAOYSA-N 385.316 3.762 0 40 GHAB CC1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccco1)C1=CCCCC1)C2=O 6111917 PSXGNGYYHPGFGU-UHFFFAOYSA-N 399.491 3.567 0 40 GHAB CCOc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)cc1 6154714 IYPHXVQLZXMSQI-UHFFFAOYSA-N 384.461 3.610 0 40 GHAB CC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 6550334 SBYVFUKVWMNQJN-DHZHZOJOSA-N 389.354 3.686 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2ccccc2C(=O)O)c1 6613485 KPAGDSWYVDOBMB-UHFFFAOYSA-N 386.473 3.709 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1cc(C)ccc1C)S2 6811812 WJRYYLHDJNRAKA-RTBURBONSA-N 393.516 3.855 0 40 GHAB Cc1c(Cl)c(COC(=O)c2n[nH]c(=O)c3ccccc23)nc2ccccc12 7676063 ILMXCNLGQQYHBD-UHFFFAOYSA-N 379.803 3.790 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(OC)c(OC)c2)cc1OCC 8294704 ZUSIHWBDNBRKAM-OAHLLOKOSA-N 387.476 3.921 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)cc1 8433480 HDZRYKQBLQGISG-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB CCc1ccccc1N1C(=O)N=C(O)[C@]2(Cc3cc(C)ccc3N(C)C2)C1=O 8974600 XXZBSQNGJLCVFZ-JOCHJYFZSA-N 377.444 3.659 0 40 GHAB CCOC(=O)c1ccc(-c2ccc(/C=C(/Sc3nnc(C)[nH]3)C(=O)O)o2)cc1 9242486 PNAALEOENQUHLP-MHWRWJLKSA-N 399.428 3.768 0 40 GHAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(s2)CCCCC3)C1=O 9365777 ADQZAYAWBUJOTC-OAQYLSRUSA-N 397.500 3.519 0 40 GHAB Cc1cccc(CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 9936892 JUJAKSJCXNPVFX-UHFFFAOYSA-N 381.501 3.665 0 40 GHAB CCOc1cc(C(=O)Nc2ccc(I)cc2)ccc1OC 10038431 IPPLCEMIPWOBLW-UHFFFAOYSA-N 397.212 3.951 0 40 GHAB CC(C)OCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12220263 YOVYBDPMGJZRSD-UHFFFAOYSA-N 382.504 3.629 0 40 GHAB CC[C@H](CN1CCCCC1)NC(=O)Cc1csc(-c2ccccc2F)n1 12239808 DXHCZOAMJLSDMC-OAHLLOKOSA-N 375.513 3.872 0 40 GHAB CCCCOc1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)cc1 12408533 XAJBOPGADGMRHY-UHFFFAOYSA-N 378.476 3.928 0 40 GHAB O=C1COc2ccc(C(=O)CSc3nc4ccccc4n3C(F)F)cc2N1 12544546 QASIBANVGVQYRO-UHFFFAOYSA-N 389.383 3.737 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2cc(OC)cc(OC)c2)c1 12647830 DMIJVSXTPLUUHV-QPJJXVBHSA-N 375.808 3.796 0 40 GHAB CC[C@@H](NC(=O)c1ccc(-c2nnn[nH]2)cc1)c1ccc(Br)cc1 12760412 IGPOJKYCGXABOE-OAHLLOKOSA-N 386.253 3.510 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NCc1cnn(-c2ccccc2)c1 12761456 NNHOYQNSLREUJN-UHFFFAOYSA-N 376.243 3.874 0 40 GHAB CCCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)c(Cl)cc2OC)c1 13040458 PUNHZSAQZQXDIA-UHFFFAOYSA-N 396.896 3.598 0 40 GHAB CCc1ccccc1NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 13041319 CBPXLSGLCVVHKP-UHFFFAOYSA-N 397.500 3.983 0 40 GHAB CCCCNC(=O)/C(=C\c1cccc(Br)c1)n1ccccc1=O 13941025 ROUPUYUZUUGESB-DTQAZKPQSA-N 375.266 3.525 0 40 GHAB COc1ccc2cc([C@@H](C)C(=O)NC[C@H]3COc4ccccc4O3)ccc2c1 14182010 RYWIYOKOKLLRGH-QRWLVFNGSA-N 377.440 3.908 0 40 GHAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1c1nnc2ccccn12 14187250 UKMYPOXVKKEYPV-AWEZNQCLSA-N 397.287 3.562 0 40 GHAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)N[C@@H]2CCc3ccccc32)cc1 14200448 ZCWCNEFGYHCCET-GOSISDBHSA-N 394.500 3.810 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)CCCc2nc3ccccc3s2)c1 14241096 UEOICMUNPIGMMF-UHFFFAOYSA-N 397.500 3.725 0 40 GHAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(CS(=O)(=O)c2ccccc2)o1 15002323 XMVWZNPTEGLFPN-UHFFFAOYSA-N 395.358 3.923 0 40 GHAB O=C(CN1CCCc2ccccc21)Nc1ccc(I)cc1 15349997 IPVNHZSJXMUUFC-UHFFFAOYSA-N 392.240 3.683 0 40 GHAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)n[nH]2)cc1 15680540 GTFHPHLLJAEJRK-UHFFFAOYSA-N 390.487 3.665 0 40 GHAB CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(O)c1 16750336 AHXKSYZCZUXUFQ-HXUWFJFHSA-N 393.439 3.859 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)cc2n1 19522362 VKQIJCJPFGSKEX-KBPBESRZSA-N 392.425 3.983 0 40 GHAB CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)N4CCCC4)[nH]c(=O)c23)C1 21882608 GDFNTIISNYNTJY-CYBMUJFWSA-N 387.549 3.691 0 40 GHAB CC(C)(CNC(=O)c1ccccc1SCc1ccsc1)N1CCOCC1 21911112 FXTMDEPRGLRMRM-UHFFFAOYSA-N 390.574 3.881 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CSc3ccc4c(c3)CCC4)CC2)cc1 22639830 PHELANYHUTZKBW-UHFFFAOYSA-N 394.540 3.819 0 40 GHAB C[C@@H](NC(=O)C1CC1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 23181449 SNXVFWOKNAKOTF-QRWLVFNGSA-N 387.524 3.665 0 40 GHAB CCOC(=O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1 24052937 LLEBYYHNFJENCT-UHFFFAOYSA-N 379.382 3.604 0 40 GHAB O=C(CCc1ccc2c(c1)OCCO2)NCc1ccccc1CN1CCCCC1 24618231 CQPPVBUZKUJQKP-UHFFFAOYSA-N 394.515 3.693 0 40 GHAB O=C(CN1C(=O)CSc2ccccc21)NCC1(c2ccccc2)CCCC1 24787602 YKWXFCAVBZZDFY-UHFFFAOYSA-N 380.513 3.754 0 40 GHAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 25065399 UCUFHZATSOSPAI-HUUCEWRRSA-N 387.430 3.643 0 40 GHAB CCCn1nc(C(=O)Nc2cccc(C3SCCCS3)c2)ccc1=O 25694028 CRYZSOWRIVEDKR-UHFFFAOYSA-N 375.519 3.774 0 40 GHAB COc1cc(C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)ccc1C 26957880 HQCFJYSMTGOPMS-UHFFFAOYSA-N 395.547 3.644 0 40 GHAB CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccsc2c1=O 27821619 WHURUUSPWZSKEK-UHFFFAOYSA-N 385.514 3.697 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 28043341 DGXNPDKCPREGQA-GOSISDBHSA-N 378.881 3.824 0 40 GHAB CC(C)CCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 28207098 PYTVKSPRUXTAPB-INIZCTEOSA-N 386.517 3.602 0 40 GHAB O=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(c2ccccn2)CC1 28227284 OVAAIUYQQJQZEJ-UHFFFAOYSA-N 397.862 3.869 0 40 GHAB C[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1ccc(C(N)=O)cc1 28367785 MFIGTOWEPPTHRS-AWEZNQCLSA-N 395.459 3.656 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc(-c2ccncc2)nc2ccccc12 29350092 LZZALOIKHBQBDI-CABCVRRESA-N 377.444 3.757 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 30289121 SFIIVHCYTUEMQQ-UHFFFAOYSA-N 394.924 3.558 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 30751196 CHQYDGIXXPJQTO-HNAYVOBHSA-N 392.496 3.556 0 40 GHAB CCOCCCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 30819214 FLHYVFJDQMNEAS-UHFFFAOYSA-N 385.460 3.940 0 40 GHAB COc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c(OC)c1 32578596 AUWPAEZESRJWPF-UHFFFAOYSA-N 397.431 3.895 0 40 GHAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 32610366 IPLKGIOSBCGCBO-CVEARBPZSA-N 395.381 3.780 0 40 GHAB CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3cccc(F)c3)c(C)c2)CC1 32772066 BRRRJOBAHFEXEI-QGZVFWFLSA-N 384.499 3.715 0 40 GHAB O=C(CNC(=O)c1ccccc1)Nc1cccc(OCc2ccc(F)cc2)c1 32788036 AASGVNCCNOTBGH-UHFFFAOYSA-N 378.403 3.773 0 40 GHAB Cc1ccc(CN(C)C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)o1 32796486 CPHPKGFZXXINHE-UHFFFAOYSA-N 378.407 3.976 0 40 GHAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Br)[nH]1 32936295 PCWMRZIYDSQIKD-NXEZZACHSA-N 391.693 3.767 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 35290094 SZMZCZGSEPFSKS-UHFFFAOYSA-N 381.436 3.938 0 40 GHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)CN1CCN(c3ccccc3F)CC1)C2 35590753 VVIPELLXSTTWQD-BJJLKGPWSA-N 390.543 3.540 0 40 GHAB O=C(CN1C(=O)CN(/C=C/c2ccccc2)C1=O)Nc1cccc2ccccc12 36392987 LCTNCPNFJZRCGN-BUHFOSPRSA-N 385.423 3.713 0 40 GHAB COc1ccc(CCNC(=O)Nc2ccccc2NC(=O)c2cccnc2)cc1 38490157 SNACZKIMYMVSPU-UHFFFAOYSA-N 390.443 3.707 0 40 GHAB O=C(CCc1ccccc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 40081506 MTSVRUYIBGSUAL-UHFFFAOYSA-N 390.405 3.623 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc3cn[nH]c23)C1 40091132 RLVGAAXELGPVRD-HUUCEWRRSA-N 376.460 3.933 0 40 GHAB CN(CCN(C)S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCCC1 40151495 QCQOZETWLNYEKN-UHFFFAOYSA-N 379.353 3.878 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OC)c(OC)c1OC 44902045 OVHLNELZQLTITM-GOSISDBHSA-N 387.476 3.803 0 40 GHAB Cc1c([C@H](C)NC(=O)c2sc3ncn(C)c(=O)c3c2C)oc2ccccc12 46650524 HHKSCQYHSDJYEP-LBPRGKRZSA-N 381.457 3.849 0 40 GHAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2)c1)N1CCc2ccccc21 47156136 XKRASMUTHAVUMQ-UHFFFAOYSA-N 378.453 3.690 0 40 GHAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H](CC(C)C)c1ccccc1 48224453 ILYWXTPDBNRJIV-HXUWFJFHSA-N 390.487 3.586 0 40 GHAB COc1ccc(-c2cc(C(=O)NC[C@@H]3CCCOC3)nn2-c2ccccc2)cc1 55925234 COIFGJGKOUECPY-KRWDZBQOSA-N 391.471 3.704 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)[C@@H](C(=O)NC2CC2)c2ccccc2)c(C)c1 57381133 LVJKBZZIOINFAD-JOCHJYFZSA-N 379.504 3.502 0 40 GHAB CC(C)[C@@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1ccccc1 58224872 JNOHBJGBBZAMOH-MRXNPFEDSA-N 394.924 3.881 0 40 GHAB CCOc1ccc2c(c1)CN(C(=O)C1(c3cccc(F)c3)CCOCC1)CC2 58288403 KIFWYBXNYRHDON-UHFFFAOYSA-N 383.463 3.858 0 40 GHAB O=C([C@H](NCc1nc(-c2cccs2)no1)c1ccccc1)N1CCCCC1 58297607 RJOZKKPGYWZMHB-GOSISDBHSA-N 382.489 3.642 0 40 GHAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(Cn2ccnc2)cc1 58975720 HVPMEWFESVCWHF-UHFFFAOYSA-N 388.515 3.847 0 40 GHAB CC(C)Oc1ccccc1CNc1ncccc1S(=O)(=O)N1CCCCC1 66454660 AHPDDNZUUCMEME-UHFFFAOYSA-N 389.521 3.656 0 40 GHAB CSc1cccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)c1 71769032 ZBGCNZOEQWCLJK-UHFFFAOYSA-N 385.464 3.554 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](CNC(=O)COc1ccc(F)cc1)c1ccccc1 72297664 NZWVABKYJZRVQI-SFHVURJKSA-N 388.439 3.587 0 40 GHAB O=C(OCc1ccc(-n2ccnc2)nc1)c1cc2c(nc3sccn32)s1 72314112 LNUHPDQFORFLDA-UHFFFAOYSA-N 381.442 3.548 0 40 GHAB O=C(c1ccncc1)N1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1 72362117 MGDYYPXRBJIWDT-INIZCTEOSA-N 378.407 3.823 0 40 GHAB CCn1ccc(-c2cc(NCCCc3ccc(OC)c(OC)c3)nc(C)n2)n1 72373280 NACQZNAGSOKDOB-UHFFFAOYSA-N 381.480 3.730 0 40 GHAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)N1CCO[C@@H](c2ccccc2)C1 72404955 QYGWFHHIXWFANG-HXUWFJFHSA-N 381.863 3.954 0 40 GHAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@@H]1C1CCCCC1 75358640 ARWOORIAKZYBOH-VQTJNVASSA-N 375.509 3.682 0 40 GHAB CC[C@@](CO)(NCc1ccccc1I)c1ccccc1 78823101 JYFKAEJYRYTDMK-KRWDZBQOSA-N 381.257 3.679 0 40 GHAB COc1ccc2nc(C3CC3)cc(C(=O)NCCc3nc4ccccc4[nH]3)c2c1 89467068 HWLADDGCBKGORL-UHFFFAOYSA-N 386.455 3.970 0 40 GHAB CC(=O)c1sc(NC(=O)c2cccc3c2oc(=O)n3C)nc1-c1ccccc1 95975427 NXLMNPWMKCRZSD-UHFFFAOYSA-N 393.424 3.710 0 40 GHAB CC(C)COC(=O)N1CCC(N[C@@H](C)c2nc(-c3cccc(F)c3)no2)CC1 97102670 YRWPLQLAISXWCL-AWEZNQCLSA-N 390.459 3.783 0 40 GHAB Fc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=S)NCc2ccco2)C3)cc1 100424803 PKLSEMYZFCZBQM-OALUTQOASA-N 387.524 3.969 0 40 GHAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3N3CCCN23)cc1 100639824 YBTVMJIMSMRMBB-ZRBLBEILSA-N 397.478 3.684 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(C)cc2)CC1 100750075 MSIXZVFESOBVDK-IMSXRSKXSA-N 393.531 3.733 0 40 GHAB N=c1c2c(ncn1CCCn1ccnc1)Oc1cc(O)ccc1[C@H]2c1ccccc1 101120140 OGZUHSJZRWFLIX-HXUWFJFHSA-N 399.454 3.641 0 40 GHAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(OC)c1O 106703110 PPAZNVCRIRIESY-YVLHZVERSA-N 385.441 3.954 0 40 GHAB NC(=O)[C@@H]1C(=S)N=C(N)[C@@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 138095556 CKUYWQJPNXSXEX-LSDHHAIUSA-N 398.557 3.644 0 40 GHAB CCOP(=O)(OCC)[C@](F)(CCC(C)=O)S(=O)(=O)c1ccccc1 205585601 XVOFTNDTVJXVMU-OAHLLOKOSA-N 380.374 3.719 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)c(C)c1 223536275 XSUWBZOIRSWOTC-INIZCTEOSA-N 388.895 3.581 0 40 GHAB Cc1cccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 224143304 GBZXPAJGSKMBOM-LJQANCHMSA-N 382.504 3.563 0 40 GHAB COc1ccc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1Cl 224682193 HWSBLFVUBZZNIR-UHFFFAOYSA-N 378.215 3.982 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1cccc(CN2CCOCC2)c1 224751892 QVZCRHQYHULPAT-JOCHJYFZSA-N 396.531 3.609 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCCC2)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 225891014 JSTSXDBSEVRJBD-IYBDPMFKSA-N 390.601 3.502 0 40 GHAB CC(C)(C)NC(=S)Nc1nc(Sc2ncccn2)cc(C(F)(F)F)n1 225896572 DPOPZROVTCGDST-UHFFFAOYSA-N 388.444 3.522 0 40 GHAB Cc1ccc(OCC(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc1C 226313226 MMNVCGODBCYLLT-UHFFFAOYSA-N 376.869 3.870 0 40 GHAB O=Cc1cn(C(=O)c2cccc(I)c2)c2ccccc12 226366411 WNYLFJOZSNXBSL-UHFFFAOYSA-N 375.165 3.747 0 40 GHAB O=C(CSc1ccc(F)cc1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 238873709 NNBZAOQJZHOERG-MSOLQXFVSA-N 383.448 3.711 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 257299368 RPTBUMQSMWNENC-BSRJHKFKSA-N 397.494 3.563 0 40 GHAB Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12CN(CCC(C)(C)C)CCO2 306127657 GEFSAOIXOFACBJ-JXFKEZNVSA-N 379.570 3.631 0 40 GHAB CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 409411444 WYPULWCBXPQVAD-INIZCTEOSA-N 388.533 3.913 0 40 GHAB O=C(NCCc1cccc2cccnc12)N1CCO[C@]2(CCc3ccccc32)C1 509801262 CYYOAZGZKNNYFV-XMMPIXPASA-N 387.483 3.661 0 40 GHAB Cc1csc(NC2CCN(C(=O)[C@H](C)[C@H]3OCCc4sccc43)CC2)n1 519439069 DFQKQNJNYYNFPO-CXAGYDPISA-N 391.562 3.866 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@H](Oc2ccncc2Cl)C1 575605761 MQZWKBOXVXUPMZ-AWEZNQCLSA-N 384.785 3.976 0 40 GHAB CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)N1CCc2ccnc(O)c2C1 579431947 LZWYNKOKFSUXFP-UHFFFAOYSA-N 382.851 3.592 0 40 GHAB Cc1cc(C)cc(C(=O)N2CC[C@]3(CCC[C@@H]3C(=O)N[C@@H]3CCC3(F)F)C2)c1 585107367 UBFDXFORVQFUCR-DBXWQHBBSA-N 390.474 3.850 0 40 GHAB CC[C@@H](C)[C@H](CO)NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 606440437 MOTAEKAMWPOIPK-BLVKFPJESA-N 399.487 3.920 0 40 GHAB biogenic COc1cc(CCN[C@H]2CCn3ccnc32)cc(OC)c1OCc1ccccc1 621771828 OCUPQOYZYNFPIQ-IBGZPJMESA-N 393.487 3.756 0 40 GHAB COc1ccc2ccccc2c1-c1cc(CN2C(=O)N[C@@](C)(CCF)C2=O)on1 656811378 CUPWZQFOLYTTFB-NRFANRHFSA-N 397.406 3.674 0 40 GHAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2COC(C)(C)C2)cc1 660300968 WAOWSJRGDSMEKF-FQEVSTJZSA-N 381.520 3.782 0 40 GHAB O=C(NCCc1ccc(C2CCCCC2)cc1)N1CCC(n2cnnc2O)CC1 665573957 AZQRTIBLIJSXQD-UHFFFAOYSA-N 397.523 3.621 0 40 GHAB CCc1nnc(-c2cccc(NC(=O)C[C@@H]3CC(=O)Nc4ccccc43)c2)o1 1531042478 UWCXERPSIOJSSI-CQSZACIVSA-N 376.416 3.754 0 40 GHAB O=C(c1ccccc1Cl)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549166913 KINDBIADRFZIOZ-UHFFFAOYSA-N 384.863 3.679 0 40 GHAB COc1cc(C)ccc1CN1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984050 OKIYIGCQVMKTMV-DEOSSOPVSA-N 394.515 3.792 0 40 GHAB CC(=O)NCc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3C)n2)o1 7785079 HHUPHBLYTIECSO-UHFFFAOYSA-N 383.473 3.837 0 40 GHAB O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1cc(Cl)ccc1F 51315208 ONLMNVUGKRPYRI-UHFFFAOYSA-N 376.727 3.615 0 40 GHAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1I 4714082 GSDMDJIMKLNAOG-ZROIWOOFSA-N 393.155 3.775 0 40 GHAB CCC(=O)Nc1nc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2s1 4785242 GSHZPRDQSFNFKJ-UHFFFAOYSA-N 383.429 3.668 0 40 GHAB Cc1cc2cc(C)c(NCCNS(=O)(=O)c3ccc(F)cc3)nc2cc1C 4848615 NVITZEYBVFWJBA-UHFFFAOYSA-N 387.480 3.690 0 40 GHAB COc1ccc(CC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1OC 20721753 OKOTXXLMTKAOFR-UHFFFAOYSA-N 384.863 3.966 0 40 GHAB biogenic O=C(Cn1ccc2ccccc21)Nc1cccc(I)c1 6393533 UFWYGLGMIZNMAZ-UHFFFAOYSA-N 376.197 3.885 0 40 GHAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCCCCC1 6401187 BMHRAAPWGOIKTA-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB CCCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 6635528 JQDIIUHIYDSLTB-UHFFFAOYSA-N 394.924 3.760 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 7950035 DRFNGXLAUBWJHC-UHFFFAOYSA-N 394.443 3.926 0 40 GHAB C[C@H](c1ccccc1)n1cnnc1SCC(=O)N1CCc2sccc2C1 53840615 UWYWKUZBUKSMFJ-CQSZACIVSA-N 384.530 3.626 0 40 GHAB C[C@@H](C(=O)Nn1c(S)nc2ccccc2c1=O)c1c(Cl)cccc1Cl 102229075 CAQNTPAOBOOTFR-SECBINFHSA-N 394.283 3.866 0 40 GHAB C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccn1 21471160 ZEDFGRMTXLTVRG-ZDUSSCGKSA-N 378.398 3.589 0 40 GHAB Cc1cc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)c2c(C)noc2n1 32870588 FPUAGDVVVJCILX-KRWDZBQOSA-N 381.432 3.652 0 40 GHAB O=C(NCCNc1ccc(C(F)(F)F)cn1)c1ccccc1Br 32818304 RJHXRSMHUZGUFK-UHFFFAOYSA-N 388.187 3.705 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 10371165 JGRDBEJGQPNBNW-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)Cc1ccccc1C(F)(F)F 58594125 GEMHHPVBFHHPKK-DVOMOZLQSA-N 391.455 3.704 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N[C@@H](C)c2ccc(Cl)cc2)cc1 57452175 OIUGKDHCZVGRGH-HOTGVXAUSA-N 387.911 3.785 0 40 GHAB CC[C@H]1CCc2c(sc(NC(=O)c3ccc(OC)cc3OC)c2C(N)=O)C1 2739029 CSUNKZDCVIOFNL-NSHDSACASA-N 388.489 3.631 0 40 GHAB COc1ccc(Cl)cc1CNCCCSc1nnnn1-c1ccccc1 16226825 AKPRNTYQTBIJLH-UHFFFAOYSA-N 389.912 3.596 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)n2cnc3sc(C)cc3c2=O)cc1Cl 938169 RECYZNKBVQLKFL-SNVBAGLBSA-N 377.853 3.628 0 40 GHAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4ccco4)C3=C(O)C2)cc1OC 102675064 GYAZCLMAIWSGJW-RNODOKPDSA-N 392.415 3.954 0 40 GHAB Cc1ccc(C)c(NC(=S)NCCCN2CCN(C)C[C@H]2c2ccccc2)c1 109024531 YNIOJOATJLLIMC-QFIPXVFZSA-N 396.604 3.969 0 40 GHAB Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 24674628 XOJSIIMTXDOHHH-UHFFFAOYSA-N 399.516 3.734 0 40 GHAB COC(=O)c1cc2ccccc2cc1OCC(=O)N[C@H]1CCOc2ccccc21 24835111 GVENYHIFXAQEFJ-IBGZPJMESA-N 391.423 3.645 0 40 GHAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccccc1-n1ccnc1 20454519 UXPRYFWQIHFCPS-UHFFFAOYSA-N 396.299 3.799 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 22535095 MSCSXRMEKYAEBO-INIZCTEOSA-N 386.517 3.533 0 40 GHAB CC(=O)N1C[C@H](C(=O)Nc2nc3ccc(Cl)cc3s2)Oc2ccccc21 7990364 MBVPGZPZFPRKJY-OAHLLOKOSA-N 387.848 3.702 0 40 GHAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1-n1cncn1 12564290 PLOSVYYNPRZGCB-UHFFFAOYSA-N 395.772 3.990 0 40 GHAB CCOc1cc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)ccc1OCc1ccccc1 62715431 WMLQPDIAVRFEJS-UFSNDUKISA-N 397.471 3.903 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)c(F)cc1F 57450757 CIUNEVFYTGLCTH-UHFFFAOYSA-N 391.761 3.843 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2OC)c(-c2ccccc2)n1 57527400 LJIHBDZHHAGOSB-UHFFFAOYSA-N 397.862 3.773 0 40 GHAB O=S(=O)(Cc1nc2ccccc2n1C[C@@H](O)c1ccccc1)c1ccccc1 12547562 HPBCIOZNAOYDKG-OAQYLSRUSA-N 392.480 3.744 0 40 GHAB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2n1C(F)F 12547265 NLVGCNJDUDORQB-NSHDSACASA-N 394.399 3.753 0 40 GHAB O=C(Nc1ccc(F)c(F)c1F)C1(S(=O)(=O)c2ccccc2)CCCC1 22240175 WLYZVQLSUMGPSB-UHFFFAOYSA-N 383.391 3.829 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(C2CC2)nn1-c1ccccc1 10277097 BSVYLZJJUMTWBR-UHFFFAOYSA-N 389.455 3.793 0 40 GHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCC12CC3CC(CC(C3)C1)C2 27629083 KSOCUQLAMIGJTL-UHFFFAOYSA-N 379.504 3.578 0 40 GHAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC(F)(F)F)cc2)N1 2151514 BSLISAZEHOCJOB-JKSUJKDBSA-N 376.334 3.755 0 40 GHAB biogenic CC(C)CCc1ccc(S(=O)(=O)Nc2ccn(Cc3ccncc3)n2)cc1 58203009 LCMPZQPUOVGYLB-UHFFFAOYSA-N 384.505 3.716 0 40 GHAB Cc1ccc(Cl)c(OCC(=O)N[C@@H](c2ccccc2F)c2nccn2C)c1 12507513 VHAASGJNLULIDU-IBGZPJMESA-N 387.842 3.806 0 40 GHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)N1CCC[C@@H](C)C1 2276567 WZYKLEKXLOWMHR-NEPJUHHUSA-N 377.872 3.667 0 40 GHAB O=C(c1ccc(Br)s1)N1CCCN(Cc2cccs2)CC1 28034677 NEUJKUVSRJMQJE-UHFFFAOYSA-N 385.352 3.920 0 40 GHAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(N(C)C)cc1 2371395 FWDHEXSLYOOVST-IBVKSMDESA-N 376.437 3.838 0 40 GHAB Cc1noc(C)c1/C=C/C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 12699916 QWYSDMAVWXWLMQ-FNORWQNLSA-N 382.247 3.709 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2ncc3ccccn23)c1 12602495 LLKFKCNNZFFSDC-GOSISDBHSA-N 397.500 3.807 0 40 GHAB CC1(C)COCCN1Cn1nc(-c2ccco2)n(Cc2ccccc2)c1=S 48354183 IQXYIGLTLHRQQO-UHFFFAOYSA-N 384.505 3.791 0 40 GHAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)N[C@H]1CCCc2ccccc21 3445635 VFYOUZLKQWUAGG-KRWDZBQOSA-N 379.790 3.969 0 40 GHAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCc1ccc(C(=O)O)cc1 12941189 MBFAWDKMLOVVEJ-UHFFFAOYSA-N 394.475 3.576 0 40 GHAB Brc1cc(CNCc2ccc(-n3cccn3)cc2)cc2c1OCO2 63578821 SBIHKOVDDQWKIW-UHFFFAOYSA-N 386.249 3.653 0 40 GHAB COc1ccc(CCc2nnc3sc(CCc4ccccc4)nn23)cc1OC 13720381 VJXJASHKHTXGBS-UHFFFAOYSA-N 394.500 3.773 0 40 GHAB O=C(NCc1cccc(N2CCCCC2=O)c1)c1cc(Cl)c2c(c1)OCO2 65718023 VILFEBJEZLZLOS-UHFFFAOYSA-N 386.835 3.516 0 40 GHAB O=C(Nc1cccc2cccnc12)C1CCN(C(=O)c2ccc(F)cc2)CC1 14517039 WUUZFZWPSUGZJU-UHFFFAOYSA-N 377.419 3.865 0 40 GHAB Cc1c(CC(=O)NCCc2ccccc2F)c(=O)oc2cc(O)c(Cl)cc12 4742646 DPVMGIUCLFJUSR-UHFFFAOYSA-N 389.810 3.501 0 40 GHAB CC(C)(C)c1ccc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 4839651 YMLHORPJHWNJCO-UHFFFAOYSA-N 398.478 3.629 0 40 GHAB COc1cccc([C@@H](NC(=O)Cc2c(F)cccc2Cl)c2nccn2C)c1 8725014 QAZAJDRDDBFDAL-LJQANCHMSA-N 387.842 3.670 0 40 GHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2c(F)cccc2Cl)NC(=O)N1 6944691 XKWOTNJUKNHMDX-INIZCTEOSA-N 377.778 3.885 0 40 GHAB COc1ccc(-c2nnc(CN(C)C(=O)c3cccc(Cl)c3)o2)cc1OC 408714489 RUSAARVRJYUEEJ-UHFFFAOYSA-N 387.823 3.679 0 40 GHAB COc1ccc(OCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1 7670577 UWXIVTBWFWJHBW-KRWDZBQOSA-N 398.484 3.896 0 40 GHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cccc(Cl)c1 8705140 LCETYVWKXULASC-UHFFFAOYSA-N 398.937 3.506 0 40 GHAB Cc1c(C)n(Cc2cccnc2)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12 9061260 NJALCNMUHVAWKB-UHFFFAOYSA-N 397.486 3.872 0 40 GHAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1ccccc1N1CCCC1 9593065 YECYPATUXHFNLR-UHFFFAOYSA-N 387.896 3.942 0 40 GHAB Cc1c(Nc2scc(-c3ccccc3)[n+]2C)c(=O)n(-c2ccccc2)n1C 26570182 UYJAZJKOGIYDNI-UHFFFAOYSA-O 377.493 3.781 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1 408552163 OTUJDFYMWBBRTM-LBPRGKRZSA-N 396.896 3.678 0 40 GHAB CCOC(=O)c1c(NC(=O)c2ccc(CC)cc2)sc(C(=O)OC)c1C 408629261 SSMYLDZGBKWLSF-UHFFFAOYSA-N 375.446 3.835 0 40 GHAB COc1ccc2c(ccn2CCNC(=O)c2ccc(Nc3ncccn3)cc2)c1 79474631 MHTWVGWUPIWFNZ-UHFFFAOYSA-N 387.443 3.614 0 40 GHAB CCn1nccc1CN(C)C(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 28235826 YPMASVAONSCYRV-UHFFFAOYSA-N 379.460 3.836 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)NCCCCc3ccccc3)CC2=O)cc1 408707087 GTHJTLNAKHEQDW-IBGZPJMESA-N 380.488 3.577 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N1CCCCC1 408588540 GPUVXEDOEKWTBH-UHFFFAOYSA-N 377.441 3.644 0 40 GHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)c2ccc(C)cc2)CC1=O 408657441 UDZYWYFQRMQKOP-FQEVSTJZSA-N 393.483 3.899 0 40 GHAB COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3cccc(OC)c3)cc12 1828523 AMLZFSKUSGANGN-UHFFFAOYSA-N 384.384 3.772 0 40 GHAB biogenic CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C 408706071 UQLPFAQQDFPTFM-HXUWFJFHSA-N 384.476 3.877 0 40 GHAB COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)Cc3cccnc3)n2)c1 72357911 BRKRTCZSNMKZGQ-HSZRJFAPSA-N 387.483 3.982 0 40 GHAB Cn1ncc(C(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]32)c1Cc1ccccc1 529684971 MYHTYGDLYNJLTH-DZFGPLHGSA-N 377.875 3.732 0 40 GHAB CCCn1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)n1 36615995 TWYMAEHARVEEPC-UHFFFAOYSA-N 388.475 3.955 0 40 GHAB O[C@@H](COc1ccccc1Cl)CN1CCN(c2ccccc2Cl)CC1 31666680 OGBDGIFZAPGRAY-OAHLLOKOSA-N 381.303 3.555 0 40 GHAB CCc1nccn1-c1cncc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 72378527 JYSFASCCXSMSRD-IBGZPJMESA-N 375.476 3.521 0 40 GHAB O=S(=O)(Cc1ccccc1F)Nc1nnc(-c2ccc(Cl)cc2)s1 186611706 YKKLBRVPFCXHQA-UHFFFAOYSA-N 383.857 3.940 0 40 GHAB C[C@@H]1CCc2c(sc(NC(=O)c3cnc(Cl)c(Cl)c3)c2C(N)=O)C1 8324949 XXZLOWWOEVFEKM-SSDOTTSWSA-N 384.288 3.926 0 40 GHAB COc1ccc(OC)c([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)c1 49544018 XDVYSAICNIBMFV-MRXNPFEDSA-N 396.468 3.664 0 40 GHAB CCCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224271735 WTGHZKSEPBGEFA-UHFFFAOYSA-N 380.897 3.695 0 40 GHAB O=C(c1cc(Cl)ccc1Cl)N1CCN(C[C@@H](O)c2cccs2)CC1 49031294 SCDKFTOVFHEQOO-OAHLLOKOSA-N 385.316 3.546 0 40 GHAB O=C(c1cccc(Br)c1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225686788 GKJNZWRPSMKOJU-LJQANCHMSA-N 385.305 3.722 0 40 GHAB CSc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1NC(C)=O 225670744 CXAOSMPWTOKESS-KRWDZBQOSA-N 390.530 3.723 0 40 GHAB COc1cc(CCNC(=O)CN(C)[C@H](C)c2ccccc2)ccc1OC(F)F 47869816 OQQLNFNQBRRSCG-OAHLLOKOSA-N 392.446 3.648 0 40 GHAB COc1ccc(NC(=O)C2(C)COC(c3cccc(C(F)(F)F)c3)OC2)cn1 225920682 AXWAKMDABMCQNI-UHFFFAOYSA-N 396.365 3.799 0 40 GHAB Cc1nccn1Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 222742528 DLZCERXICQKKAP-HNNXBMFYSA-N 377.444 3.502 0 40 GHAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 224159838 RPCKWCDQXWAOBQ-VQTJNVASSA-N 378.501 3.707 0 40 GHAB Cc1cccc(N2C[C@]3(CCN(C(=O)c4cccc5cccnc45)C3)CC2=O)c1 96238526 VAAQOYBODSNLDM-XMMPIXPASA-N 385.467 3.812 0 40 GHAB C[C@]1(O)CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC[C@@H]1Oc1ccccc1 257293078 QOAKRGQGIQAODW-FPOVZHCZSA-N 384.863 3.866 0 40 GHAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(F)c2)CC1 257261163 LGAFSCHTIDYXOA-LYHRCORUSA-N 383.511 3.989 0 40 GHAB COc1cccc2cc(C(=O)NC[C@@H](c3ccco3)N3CCSCC3)oc12 253406444 UMLJHGCAKDOECH-HNNXBMFYSA-N 386.473 3.554 0 40 GHAB O=C(c1cc2ccccc2s1)N1CCC(n2nnc3ccsc3c2=O)CC1 390831770 USZIZQSCHOQRHU-UHFFFAOYSA-N 396.497 3.545 0 40 GHAB CSc1ccc(/C=C/C(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)cc1 96120328 BOTADRODKOIYMU-JXMROGBWSA-N 389.565 3.758 0 40 GHAB COc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)c(OC)c1 585289264 OYCHWWDWYDBZSF-QKNQBKEWSA-N 391.895 3.808 0 40 GHAB O=C(/C=C/c1ccccc1)N1CCC(Cc2c[nH]c(=Nc3ccccn3)cn2)CC1 585293073 WDMZSBIWUOBDTM-MDZDMXLPSA-N 399.498 3.532 0 40 GHAB Cc1nnc([C@@H](C)Sc2nnc(CN3CCCCC3)n2Cc2ccccc2)o1 48186713 XBCSKBXTRDWQMY-OAHLLOKOSA-N 398.536 3.857 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3ccc(Cl)cc3)C2)CN1c1ccc(F)cc1 1615127251 DSHWWGCCWCKZJV-OAQYLSRUSA-N 388.870 3.877 0 40 GHAB COc1ccc(C2(C(=O)N[C@H](C)c3nc(-c4ccncc4)n[nH]3)CCCC2)cc1 12114852 FXXKHTGFLSJCDY-OAHLLOKOSA-N 391.475 3.565 0 40 GHAB COc1ccc2[nH]c(CN3CCC(O)(c4ccccc4OC)CC3)c(C)c2c1 12292928 RUPMZCCPHFAJOP-UHFFFAOYSA-N 380.488 3.977 0 40 GHAB CN(CCN1CCCCC1)C(=O)Cc1csc(-c2cccc(Cl)c2)n1 12325906 LMGPJSRCHCNQRU-UHFFFAOYSA-N 377.941 3.950 0 40 GHAB COc1ccccc1C(=O)NCCC(=O)NCCC12CC3CC(CC(C3)C1)C2 12733058 RAEPCAWEDFUOCH-UHFFFAOYSA-N 384.520 3.538 0 40 GHAB CN(Cc1cccc(F)c1)C(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 12950214 BYRRPIOZQVQWBH-UHFFFAOYSA-N 390.871 3.685 0 40 GHAB Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCc2ccncc2)cc1 13284586 LPVABSPJHFCUDE-JCMHNJIXSA-N 385.467 3.786 0 40 GHAB CC(C)C[C@H](c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1 13505223 QLQBGZXIFQTVTI-HXUWFJFHSA-N 396.564 3.692 0 40 GHAB C[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 15198522 TXRJRAQOKLFLMO-GFCCVEGCSA-N 383.922 3.713 0 40 GHAB CNc1c(NC(=O)/C=C\c2ccc(OC)c(OC)c2)c(=O)oc2ccccc12 16189460 BKKAJSQPYGEYQS-LUAWRHEFSA-N 380.400 3.504 0 40 GHAB COCCCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2c1=O 16506231 STPLPFPZABDGKQ-UHFFFAOYSA-N 397.500 3.965 0 40 GHAB COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)OC(C)(C)C)cn2C 19287132 LYJWAADQDSQYSJ-UHFFFAOYSA-N 382.464 3.977 0 40 GHAB CCn1cc(CN2CCO[C@H](c3ccc(-c4cccc(OC)c4)cn3)C2)cn1 19693619 ZJOFFAYBTVCCPZ-QFIPXVFZSA-N 378.476 3.547 0 40 GHAB CCc1noc(C)c1C(=O)N1CCC(CC(=O)N[C@H](C)c2ccccc2)CC1 19748549 DCIUXLUIQQICOB-OAHLLOKOSA-N 383.492 3.665 0 40 GHAB C[C@@H]1CCCN(C(=O)C2CCC3(CC2)CNC(=O)c2cc(Cl)ccc2O3)C1 19496444 LHKUWBODUPNCKQ-UMRPUCSYSA-N 390.911 3.650 0 40 GHAB C[C@H](NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1nnnn1C1CC1 682886784 NXKOLJKNDOZOHF-LBPRGKRZSA-N 396.322 3.714 0 40 GHAB c1csc(-c2ccc(N3CCN(Cc4csc(C5CC5)n4)CC3)nn2)c1 1888944410 QERGENNYGJLCSJ-UHFFFAOYSA-N 383.546 3.861 0 40 GHAB O=C(c1n[nH]c2ccccc12)N1CC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 1848353194 WSBHMFBPRUHJTN-HNNXBMFYSA-N 390.418 3.911 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(Cn2ccnc2)c1 30689073 ZCGUEMYHOSXYOA-JOCHJYFZSA-N 386.455 3.834 0 40 GHAB Cc1nc(CN2CCC[C@@]3(CCCN(C(=O)c4ncccc4C)C3)C2)cs1 2056223712 BOQSRDDNGSWMQI-OAQYLSRUSA-N 384.549 3.673 0 40 GHAB COc1ccc(CCn2c(=S)[nH]c3ccc(Cl)cc3c2=O)cc1OC 3043414 NDQYQBXGRAOWBG-UHFFFAOYSA-N 376.865 3.972 0 40 GHAB O=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 4078709 HDRZZQZCVXKYDU-UHFFFAOYSA-N 391.452 3.565 0 40 GHAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)NCCc2ccccc2)cc1 5256181 JUHIXIAETONWQM-JOCHJYFZSA-N 375.472 3.854 0 40 GHAB O=C(NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1)Nc1ccccc1Cl 9066983 ZTVFPHZIKCPVTJ-AWEZNQCLSA-N 375.831 3.649 0 40 GHAB CCOc1ccc(-c2noc(-c3nnn(-c4cccc(C)c4C)c3N)n2)cc1 10273098 KEYCXZKSGBAWSB-UHFFFAOYSA-N 376.420 3.582 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(C)nn2[C@H]1c1ccc(C)cc1 10434280 UUOZKBBAQFOWRF-FQEVSTJZSA-N 389.459 3.831 0 40 GHAB COc1ccc2cc(C(=O)NC[C@@H](O)c3ccc(-c4ccco4)cc3)[nH]c2c1 1775966723 WDZFGLFTUYALBN-HXUWFJFHSA-N 376.412 3.900 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 23140449 FSOHRANZZBGFHZ-GFCCVEGCSA-N 398.444 3.938 0 40 GHAB CCCCS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccc(OC)cc3)s2)C1 36705253 PUICCOVQPAAYSL-HNNXBMFYSA-N 395.550 3.523 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(-c2cn3ccccc3n2)cc1 10321731 KLPAGAVOQDRZDG-UHFFFAOYSA-N 384.395 3.548 0 40 GHAB CCC(=O)N1C(=O)[C@]2(SCC(=O)N2c2ccc(C)c(C)c2)c2ccccc21 12418277 GMRNRGTZFCKFNP-OAQYLSRUSA-N 380.469 3.519 0 40 GHAB COc1cc(C(=O)NCc2ccnc(-n3cccn3)c2)ccc1OC1CCCC1 40153967 CEQUIMMSYJHANH-UHFFFAOYSA-N 392.459 3.527 0 40 GHAB O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)[C@H]1CC=CCC1 40107811 XFCCSONPKDGERX-YOEHRIQHSA-N 380.410 3.841 0 40 GHAB O=C(O)c1ccccc1[C@@H]1Nc2ccccc2S(=O)(=O)N1Cc1ccccc1 2502569 BXLWHDQQZKVIHT-HXUWFJFHSA-N 394.452 3.700 0 40 GHAB CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1 3022594 BQDABCKPCQNYCQ-UHFFFAOYSA-N 390.480 3.986 0 40 GHAB O=C(NCC1(c2ccccc2)CC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 11749912 IBOGQBGCMKYEPO-UHFFFAOYSA-N 395.462 3.847 0 40 GHAB COc1cc(N[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c(OC)cc1Cl 6085336 KCWOFHPIXHJCKH-LLVKDONJSA-N 391.855 3.755 0 40 GHAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(C)n3)C2=O)c1 6968563 GHFQLPKJBNRJAK-MHWRWJLKSA-N 399.497 3.787 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCc2ccccc21 7376003 YXWKQOOYPUPMMO-OAHLLOKOSA-N 396.306 3.814 0 40 GHAB CCOC(=O)CS[C@@H](C)C(=O)Nc1nc(-c2ccc(CC)cc2)cs1 7506369 VEHUOTDLBVDBCY-LBPRGKRZSA-N 378.519 3.996 0 40 GHAB CCC(=O)N(c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)s1)C1CC1 7672896 AKPOPJJAAYCMTI-UHFFFAOYSA-N 390.534 3.791 0 40 GHAB CCC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 7506584 DFCGGKXKJJBVPO-UHFFFAOYSA-N 384.823 3.531 0 40 GHAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 2622927 AMNOMCKTEXQRJF-JOCHJYFZSA-N 397.450 3.529 0 40 GHAB CC(C)C(=O)N1CCN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)CC1 32753113 HPNSCJGYKVJFMM-UHFFFAOYSA-N 385.533 3.874 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN(C)CCOc1ccc(Cl)cc1 8485286 FINCVWDOGACGCG-UHFFFAOYSA-N 383.275 3.951 0 40 GHAB Cc1cccc(-c2nnc3s/c(=C\c4ccc(Cl)c(Cl)c4)c(=O)n23)c1 9187898 QICLLTZUNXGLHN-DHDCSXOGSA-N 388.279 3.981 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)c2ccc(C)s2)c2ccccn2)CC1 100750366 DQAMVDQRQFDVHU-FUHIMQAGSA-N 385.533 3.865 0 40 GHAB CC(C)c1nc2cc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)ccc2o1 33216831 BYMGFVVYUWWFQD-UHFFFAOYSA-N 391.427 3.853 0 40 GHAB COc1ccc([C@H](C)NC(=O)NCCCCN2C[C@@H](C)C[C@H](C)C2)c(OC)c1 58159826 MSSRICLKSTZNHL-BZSNNMDCSA-N 391.556 3.822 0 40 GHAB O=C(CSc1nnc(N2CCCCC2)n1Cc1ccco1)Nc1ccccc1 12214657 PZIVWTIGGJWTON-UHFFFAOYSA-N 397.504 3.641 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2Cl)CC1 809780 IDFCMVFLXBOGRA-UHFFFAOYSA-N 379.291 3.783 0 40 GHAB NC(=O)CSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1 907503 TZMSKJZUDRPMBI-UHFFFAOYSA-N 390.468 3.577 0 40 GHAB O=C(NC1CCN(Cc2ccccc2)CC1)N(Cc1cccc(O)c1)C1CC1 42748914 WFMURLJYGYGCSF-UHFFFAOYSA-N 379.504 3.731 0 40 GHAB Cn1cc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c2ccccc21 24337891 LKVXWQDGOFZZIH-UHFFFAOYSA-N 397.906 3.669 0 40 GHAB Cc1ccc(CN2CC[C@@]3(CC(C(=O)NC[C@H](C)c4ccccc4)=NO3)C2)cc1 107231596 XHPZHGNKPXTLLQ-YADARESESA-N 391.515 3.636 0 40 GHAB O[C@@]1(c2ccc(Br)cc2)CN2C=CC=CC2=[N+]1Cc1ccccc1 1302128 AYFWBBXNOPDNHL-HXUWFJFHSA-N 382.281 3.605 0 40 GHAB O=C1CCc2cc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)ccc2N1 24989893 ROYPKDGVOIBJJE-UHFFFAOYSA-N 392.480 3.967 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(CN3CCCC3=O)c2)cc1Cl 55584284 VJRQQRZBNOVJAW-UHFFFAOYSA-N 378.881 3.572 0 40 GHAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)C3[C@@H]4CCCC[C@@H]34)n2)cc1 100770158 BKOLJWUZXOUIPH-HZPDHXFCSA-N 390.530 3.800 0 40 GHAB Cc1cccc(OCC(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)c1C 20609598 YHADIXQVJCZGON-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(N4CCOC4=O)cc3)cc2F)n1 55717020 DZZRJKSQWZGXRT-UHFFFAOYSA-N 394.406 3.837 0 40 GHAB COC(=O)[C@H](C)NC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 12598888 NUPNKLYVANCSFS-NSHDSACASA-N 390.486 3.781 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 12532648 CMMSJAVULFBALR-CGTJXYLNSA-N 390.439 3.757 0 40 GHAB O=C(NC1CCN(C(=O)Nc2cccc3cccnc23)CC1)c1ccsc1 56554511 CWKZVIRSCWKYAP-UHFFFAOYSA-N 380.473 3.723 0 40 GHAB COc1ncccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 108094711 YFHBLQOIBFUTTA-KSZLIROESA-N 375.513 3.748 0 40 GHAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3sccc32)c1 57426659 GGGDQQFHYDQNGP-UHFFFAOYSA-N 399.516 3.526 0 40 GHAB CC[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(Br)cc1 8405630 GYXHRZFZGVQWSB-OAHLLOKOSA-N 386.249 3.567 0 40 GHAB CCc1ccccc1N(CC(=O)N[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 2072058 YKNPJGFAIQWCAB-QGZVFWFLSA-N 388.533 3.667 0 40 GHAB O=C(NCc1ccccc1Cn1ccnc1)C1=Cc2cc(Cl)ccc2OC1 25451346 AFEVUJWNMIHEBN-UHFFFAOYSA-N 379.847 3.677 0 40 GHAB Cn1c(Cc2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCCC1 10299312 QGPMJRYBYDQUBG-UHFFFAOYSA-N 378.929 3.600 0 40 GHAB CN(c1ccc(-c2csc(NC(=O)c3ccsc3)n2)cc1)S(C)(=O)=O 10449014 PVPYAIYIHIVWAT-UHFFFAOYSA-N 393.515 3.520 0 40 GHAB O=C(c1ccc(Cl)cc1)C1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 58414181 JZYNEKQWZHJISI-IBGZPJMESA-N 391.870 3.814 0 40 GHAB CCOc1ncccc1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 28041857 DZSXZWMSPXUUDZ-UHFFFAOYSA-N 394.802 3.631 0 40 GHAB O=C(CCCn1sc2ccccc2c1=O)Nc1ccc2oc(=O)ccc2c1 36360288 ZAEQQFXJSMXUPU-UHFFFAOYSA-N 380.425 3.588 0 40 GHAB CCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(SC(F)(F)F)cc1 12861754 YNFOEBUVTOXUJJ-VSGCLNPGSA-N 386.439 3.829 0 40 GHAB C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc(F)cc1Cl 3445331 KKTKOQUSAXYBFB-ZCFIWIBFSA-N 382.770 3.746 0 40 GHAB Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c(Cl)c1 12973683 WLSGADRWOCHTMU-UHFFFAOYSA-N 391.943 3.702 0 40 GHAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCC[C@@H]2c2ccccc2)C1=O 12935313 UCAWZUYTWHUKIA-WIYYLYMNSA-N 385.414 3.526 0 40 GHAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(Br)o1 3511671 AELNMRDMXITVMK-UHFFFAOYSA-N 389.201 3.994 0 40 GHAB O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 7989083 MBCZRSSAMSDNGT-LJQANCHMSA-N 375.428 3.621 0 40 GHAB CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC 409020682 SABHCWLAIHFUSL-GZTJUZNOSA-N 384.407 3.716 0 40 GHAB CCN(CC(=O)NC(C)(C)C)C(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13100377 QKSQSKBUBSVFLC-MQVJKMGUSA-N 398.638 3.752 0 40 GHAB COC(=O)c1ccc2c(O)nc(CN[C@@H](c3ccc(F)cc3)C(C)C)nc2c1 16695643 YCSCBEYVTRFIPX-LJQANCHMSA-N 383.423 3.748 0 40 GHAB CCc1ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)cc1 28535489 VXYYJKMEIFLGQL-UHFFFAOYSA-N 387.896 3.604 0 40 GHAB C=C1c2cc3c(cc2CCN1C(=O)c1c(OC)cccc1OC)OCCCO3 4090292 UFVNWWUTLIVSEK-UHFFFAOYSA-N 381.428 3.534 0 40 GHAB biogenic CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@H]1C(=O)/N=c1\[nH]c2ccccc2s1 13552486 HZXBJUOLTPGRPM-YJBOKZPZSA-N 395.509 3.705 0 40 GHAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2ccccc2Cl)CC1 49581333 BVCKMUYRYKXPKO-HNNXBMFYSA-N 396.878 3.909 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2cc3c(s2)CCC3)c1 5021067 DBJMLLFLLFFXKF-UHFFFAOYSA-N 392.546 3.828 0 40 GHAB COc1ccc(-c2cc3c(=O)n(Cc4cccc(Cl)c4)ccn3n2)cc1OC 64977533 BGKFSFNWIHNYRI-UHFFFAOYSA-N 395.846 3.882 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1Cl)n1nnc2sc3c(c2c1=O)CCCC3 5183371 IFKTZYHTNKJSHW-JTQLQIEISA-N 388.880 3.585 0 40 GHAB CSc1ccc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1 5264739 SVQATXICTBZXGN-SAPNQHFASA-N 379.485 3.684 0 40 GHAB O=C(c1ccccc1F)N1CC[C@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306131011 JUUKOALZXQLQKQ-QFIPXVFZSA-N 395.409 3.643 0 40 GHAB COc1ccc2c(COC(=O)CCC(=O)c3ccc(F)cc3)cc(=O)oc2c1 6417751 ZQMUOCZUDKLIPO-UHFFFAOYSA-N 384.359 3.647 0 40 GHAB C[C@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)N1CCCCCC1 14159763 LNXHVHUOMPHWIN-ZDUSSCGKSA-N 394.928 3.920 0 40 GHAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3ccc(C)c(C)c3)ccc21 5429173 FGEMYWSIDCJZDN-UHFFFAOYSA-N 389.542 3.991 0 40 GHAB C[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(-n2cncn2)cc1 14240538 ICELMVWMPSVRJU-INIZCTEOSA-N 378.476 3.821 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2ccnc(Cl)c2)ccc1Br 27442570 OYHYGLADYDMFBW-UHFFFAOYSA-N 383.629 3.601 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cnc(Cl)c(Cl)c2)cc1 6643018 LWGXDZHBENPWML-SNVBAGLBSA-N 381.215 3.775 0 40 GHAB O=C(Cc1c(F)cccc1Cl)Nc1cccc(C(=O)NCC(F)(F)F)c1 8726795 DBMPATVIWIZWBH-UHFFFAOYSA-N 388.748 3.952 0 40 GHAB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)oc3cc(C)ccc23)C1=O 5959693 ODRFWQZEDKHWPE-QHCPKHFHSA-N 390.439 3.849 0 40 GHAB O=C(NC[C@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1Cl 67298645 FJNJRVAFCUZJJT-MQUBGCMGSA-N 398.846 3.933 0 40 GHAB CCOC(=O)c1ccoc1Cn1cnc2sc(-c3ccccc3)cc2c1=O 18353678 YIALWRCSDLSJTI-UHFFFAOYSA-N 380.425 3.943 0 40 GHAB CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccc(OC)cc1 9233002 MNWGFCBHKSJWQA-UHFFFAOYSA-N 394.471 3.988 0 40 GHAB Cc1nnsc1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 9250910 BGJIJKYUDIIWCO-UHFFFAOYSA-N 383.911 3.896 0 40 GHAB O=C(NCCN1CCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 9835326 KKMIWCSQFJGHIX-UHFFFAOYSA-N 380.517 3.681 0 40 GHAB O=C(OCc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@H]1CSCCS1 84367255 PYURAABUKFJOPY-LLVKDONJSA-N 390.408 3.647 0 40 GHAB O=C(NCCc1ccc(O)cc1)c1cn(Cc2ccccc2)c(=O)c2ccccc12 95474281 YUXQBVHFNFAYRI-UHFFFAOYSA-N 398.462 3.728 0 40 GHAB CCc1nc(CN2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)no1 95964232 NPLXIXMRASVJOA-INIZCTEOSA-N 376.460 3.822 0 40 GHAB CCOc1ccc(CCC(=O)NCCCN2CCC(C)CC2)cc1OCC 20489449 SNWUUXWQOBMWEO-UHFFFAOYSA-N 376.541 3.655 0 40 GHAB CCCOc1cccc(C(=O)Nc2ccccc2N2CCN(C(=O)CC)CC2)c1 408629300 VYOPRWIJXVDOEJ-UHFFFAOYSA-N 395.503 3.786 0 40 GHAB Cc1nc(C)c(NC(=O)Nc2nccs2)cc1NC(=O)Nc1nccs1 33414090 YZHPDCQCXCOOQZ-UHFFFAOYSA-N 389.466 3.899 0 40 GHAB Cc1ccc(C2=NN(C(=O)CCc3ccccc3O)[C@@](O)(C(F)(F)F)C2)cc1 408563944 SNAIWCOLTPRSFY-IBGZPJMESA-N 392.377 3.521 0 40 GHAB CCC(CC)C(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 72341498 HSTKDKJJHICDJZ-QGZVFWFLSA-N 385.512 3.996 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c(C)c1 30502124 BOOOVZALUPRUAJ-OAHLLOKOSA-N 380.469 3.993 0 40 GHAB Cc1nc(-c2ccc(NS(=O)(=O)c3ccc4nc(O)oc4c3)cc2)cs1 32869164 IVGIZUNTFCODHF-UHFFFAOYSA-N 387.442 3.766 0 40 GHAB FC(F)(F)c1cccc(CNc2ncnc3c2nnn3Cc2ccccc2)c1 35314893 HFUHTRJKOTXOOI-UHFFFAOYSA-N 384.365 3.901 0 40 GHAB COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccccc3n2C)C[C@H]1C(C)C 72320879 JOINCJGZZAMBNF-FHWLQOOXSA-N 383.536 3.733 0 40 GHAB biogenic,in-vitro O=C(Nc1cncc(Cl)c1Br)[C@@H](c1ccccc1)n1cccn1 561816319 IBSIERVOQFXNKN-OAHLLOKOSA-N 391.656 3.922 0 40 GHAB CC(C)CN1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 225473770 LOEHAOBTAZOIMM-UHFFFAOYSA-N 385.577 3.641 0 40 GHAB biogenic,in-vitro COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 222993636 LHROPKBHSUDEMB-ZIAGYGMSSA-N 398.351 3.525 0 40 GHAB CCc1ccc(CC)c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 225615935 YVYRTIAJVNNXBB-UHFFFAOYSA-N 394.924 3.766 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 222853337 UATKZIOIOOJBPJ-QFIPXVFZSA-N 396.531 3.960 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1C 222591399 IBXSVSWUDRJYEB-KRWDZBQOSA-N 386.517 3.724 0 40 GHAB CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(SC)cc1 224986577 WZQGAEISEQEUCT-UHFFFAOYSA-N 379.503 3.719 0 40 GHAB COc1cccc(-c2noc(CNC(=O)COc3ccccc3C(C)(C)C)n2)c1 222802468 WQBAIDCORGWRBX-UHFFFAOYSA-N 395.459 3.738 0 40 GHAB Cc1c(NC(=O)Nc2cc(-c3ccsc3)nn2C)cnn1C1CCOCC1 575761747 XZOXKWZLTTYELE-UHFFFAOYSA-N 386.481 3.649 0 40 GHAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)c1nc2ccccc2[nH]1 95957186 GRBNRLRDSNSQBM-SNVBAGLBSA-N 398.362 3.774 0 40 GHAB O=C(Nc1cccc(F)c1)[C@@H]1C[C@@]12CCN(C(=O)NCc1cccc(F)c1)C2 96227235 RGJPGSKXGSLCBH-GHTZIAJQSA-N 385.414 3.525 0 40 GHAB COc1cccc(NC(=O)N2CC[C@@]3(CC(=O)N(c4ccccc4C)C3)C2)c1 96238618 UBVKWHMYGBUHIS-JOCHJYFZSA-N 379.460 3.665 0 40 GHAB CC(C)n1c([C@H]2CCCN(C(=O)CCc3ccn(C)n3)C2)nc2ccccc21 585085899 MTXQAKHBHQKXJJ-KRWDZBQOSA-N 379.508 3.690 0 40 GHAB O=C(Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1)c1cccs1 250103976 YQXOFKIBSLKMHW-IJPPCXMXSA-N 391.448 3.525 0 40 GHAB Cc1cc(Nc2ncc(F)c(CC3CCN(C(=O)OC(C)(C)C)CC3)n2)[nH]n1 257274220 NKBHEYAKGDVHLB-UHFFFAOYSA-N 390.463 3.580 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)C(C)C)c2ccccc2C)cc1 260899617 OXCLJIXYCOCNHM-GOSISDBHSA-N 388.533 3.659 0 40 GHAB COc1ccc(CN(CC(F)(F)F)C(=O)c2ncn3ccc(C)cc23)cc1 622774298 BOKZRPJGVBSXBR-UHFFFAOYSA-N 377.366 3.856 0 40 GHAB O=S(=O)(c1cccc(Cl)c1)N1CCC(CSc2ccccn2)CC1 90608080 WAYUXHJNDIFAKO-UHFFFAOYSA-N 382.938 3.928 0 40 GHAB COc1cc(C)ccc1OCC(=O)Nc1cc(-n2ccc3ccccc32)ncn1 90614302 BCVLOUDBGBCWFK-UHFFFAOYSA-N 388.427 3.755 0 40 GHAB Cc1ccc(CN(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)nc1 682751834 NBJHHDCFRPFOAX-UHFFFAOYSA-N 378.476 3.743 0 40 GHAB C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CCc2ccccc21 45305373 SIKQPGYHCKOGFM-WMZHIEFXSA-N 392.547 3.574 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(Cc3ccncc3)C2)on1 72342927 ANGUFUIYAKTZQQ-SFHVURJKSA-N 388.475 3.776 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 8062672 AALZVUWAWSJVPX-HKMNZKMDSA-N 387.501 3.986 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)N1CCc2ccccc21 5211062 AQMYCYFJTOXAAC-QGZVFWFLSA-N 389.455 3.624 0 40 GHAB O=C(CCC1CCCC1)N1CCC(c2nc(O)cc(-c3ccncc3)n2)CC1 12256568 VSKRZUZWABZSMN-UHFFFAOYSA-N 380.492 3.921 0 40 GHAB COc1ccc([C@H]2NC(=O)c3sc4nc(C)cc(C)c4c3N2)c(OC)c1OC 12608963 MAZDKIZANMOMOL-GOSISDBHSA-N 399.472 3.793 0 40 GHAB CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1cc(C)nc2ccccc12 12667712 DHYQCAZFZGKCPJ-HNNXBMFYSA-N 394.500 3.728 0 40 GHAB COc1ccc(NC(=O)Cc2n[nH]c(=S)n2Cc2ccccc2)cc1Cl 16639416 MQZXTJLNEVQAPP-UHFFFAOYSA-N 388.880 3.832 0 40 GHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21 17247994 IGHJOIBTCWYJBO-UHFFFAOYSA-N 384.910 3.892 0 40 GHAB Cc1cccn2cc(C(=O)N3CCN(c4ccccc4C(F)(F)F)CC3)nc12 19718799 TUVCUXROBOCLMH-UHFFFAOYSA-N 388.393 3.624 0 40 GHAB COC(=O)c1ccc2oc(-c3ccc(I)cc3)nc2c1 226317456 DBODYUQIMXFUPX-UHFFFAOYSA-N 379.153 3.886 0 40 GHAB COCCOc1ccc(CN2CCC[C@H]2c2cc3cccnc3[nH]2)cc1OC 12222529 RDIJSRRDRVOPNL-IBGZPJMESA-N 381.476 3.934 0 40 GHAB COc1cccc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)n1 2037988485 NELZDMKKPILPIL-JOCHJYFZSA-N 383.467 3.893 0 40 GHAB CC(C)(C)n1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)C[S@@](=O)C2 2725038 IOMVLCIMTKQCIH-DEOSSOPVSA-N 386.304 3.960 0 40 GHAB CCCCSc1nc2c(c(=O)n1-c1ccc(OC)c(OC)c1)SCC2 4358944 INYHBKJPASZRRY-UHFFFAOYSA-N 378.519 3.790 0 40 GHAB Cc1c(Cl)ccc2sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)nc12 4496429 MOMZKALPGJOCAM-UHFFFAOYSA-N 398.868 3.810 0 40 GHAB COc1ccc(OC)c(-c2ccc(SCC(=O)N3CCCCCC3)nn2)c1 5411410 VWWZLIDNMLUHRH-UHFFFAOYSA-N 387.505 3.656 0 40 GHAB O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NC1CC1)c1ccc(Cl)cc1 9073504 QHAFURIUZTYEMY-ZDUSSCGKSA-N 375.881 3.747 0 40 GHAB O=C(NC[C@@H](c1cccc2ccccc12)N1CCCC1)C(=O)Nc1ccccc1 10334118 ORNVHDKAEBPDPW-QFIPXVFZSA-N 387.483 3.732 0 40 GHAB O=C(Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)Nc1cccc(F)c1 16851324 CMWPCXCHMHKNCN-UHFFFAOYSA-N 387.411 3.522 0 40 GHAB C[C@H]1Cc2cc(-c3cc(COC(=O)Cn4cnc5ccccc54)no3)ccc2O1 36662554 OOGFDWSDVHPNOQ-AWEZNQCLSA-N 389.411 3.758 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCN(CCc2ccccc2)CC1 42384337 VQVYIUFWPJZGIK-UHFFFAOYSA-N 377.463 3.821 0 40 GHAB COC(=O)c1c(NCc2cc(F)cc(F)c2)c2cc(Cl)ccc2[nH]c1=O 49001559 OVJRCKQAAOTBJX-UHFFFAOYSA-N 378.762 3.858 0 40 GHAB Cc1cnc(NC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)s1 40140519 DTZSCRWMHXPDDJ-UHFFFAOYSA-N 395.410 3.849 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)COc2ccc(Cl)c(C)c2)cc1 28580673 VNUQQTMLAALSCF-UHFFFAOYSA-N 385.851 3.919 0 40 GHAB COc1ccc(-n2nnnc2SCC(=O)Nc2cccc3ccccc23)cc1 882799 GFUGCEVGPXSKDQ-UHFFFAOYSA-N 391.456 3.555 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cc1csc(-c2ccccn2)n1 31498047 DMIZHAUQEYKSNJ-UHFFFAOYSA-N 389.484 3.592 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(CNc2ccc(F)cc2)o1 1328744 ASKZHKIZDGKCMI-STQMWFEESA-N 378.473 3.702 0 40 GHAB CC[C@@H](C)c1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(OC)c2)cc1 2616348 CSTFMQDFWXRKGW-MRXNPFEDSA-N 383.492 3.718 0 40 GHAB Cc1ccc(NC(=O)CN2CCN(c3nc4ccccc4s3)CC2)c(C)c1 59644180 AZPZTKFJNDVNBG-UHFFFAOYSA-N 380.517 3.674 0 40 GHAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(CN2CCCC2)cc1 6547432 JPBIISCFWWZHLZ-UHFFFAOYSA-N 383.517 3.726 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N(C)Cc1ccc(Cl)cc1 7918086 JSVHGIHOQDNXIJ-INIZCTEOSA-N 387.911 3.532 0 40 GHAB COc1cc(CNC(=O)CSCc2cccc(Cl)c2)cc(OC)c1OC 8361596 PZBWUKTZHYTASN-UHFFFAOYSA-N 395.908 3.915 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 8494513 CBDPOESUWXWYDB-OAHLLOKOSA-N 377.824 3.931 0 40 GHAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 32601622 BYDPIIHIGLWFKT-UHFFFAOYSA-N 383.853 3.936 0 40 GHAB COc1cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc(OC)c1C 32769041 XRTPVKRZYYFYRV-UHFFFAOYSA-N 382.504 3.928 0 40 GHAB C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)c1c[nH]c2ccccc12 9546774 BHCGMKMQUQGFLY-NEPJUHHUSA-N 388.518 3.974 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)c12 32911472 NGRYRKQNMONZLA-GOSISDBHSA-N 390.487 3.803 0 40 GHAB Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 101724674 CSNFQULZPKOOSB-ILHTXMRTSA-N 398.462 3.805 0 40 GHAB COCc1nnc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)s1 61720668 FJYVFBHKKHZXLN-UHFFFAOYSA-N 397.485 3.851 0 40 GHAB Cc1cc(=O)[nH]c(-c2ccccc2CN2CCC(c3cccc(O)c3)CC2)n1 23145879 LDBQBUFXBFUCHT-UHFFFAOYSA-N 375.472 3.831 0 40 GHAB COc1cc(C(=O)Nc2cccc(CN3CCCC3=O)c2)cc(Cl)c1OC 23149435 LOSSJTSNBBQSBR-UHFFFAOYSA-N 388.851 3.732 0 40 GHAB O=C(Nc1ccc(I)cc1)C1SCSCS1 940818 UQBDQXCWAXXYJV-UHFFFAOYSA-N 383.301 3.684 0 40 GHAB O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCN(Cc2cccnc2)CC1 54723952 USRKXMUSRNKNGO-UHFFFAOYSA-N 391.446 3.971 0 40 GHAB CN(Cc1cccs1)C(=O)c1ccccc1NS(=O)(=O)c1cccs1 12544807 MMUWFWZFPAYJQU-UHFFFAOYSA-N 392.527 3.883 0 40 GHAB O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccc(OC(F)(F)F)cc1 1102569 IONBNALPONLDRU-UHFFFAOYSA-N 397.744 3.531 0 40 GHAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cn3ccccc3n2)cs1 12556725 IXVIASWZAIARMO-UHFFFAOYSA-N 392.440 3.832 0 40 GHAB COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccccc2)cc1F 25053908 NAQVDDJPQZFWFJ-UHFFFAOYSA-N 378.450 3.686 0 40 GHAB C[C@H](S[C@H](C)C(=O)NC1CC1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 56230000 RTASUKSPDOELNG-VHSXEESVSA-N 389.502 3.706 0 40 GHAB COC(=O)c1c(C)nsc1NC(=O)N1CCC[C@@H]1c1cccc(OC)c1 56321283 QAZVVHZTGNYXPC-CQSZACIVSA-N 375.450 3.616 0 40 GHAB COCCCSc1nnc2n(-c3cccc(C)c3C)c(=O)c3ccccc3n12 58159338 POTHGTNQSITMDQ-UHFFFAOYSA-N 394.500 3.779 0 40 GHAB CSc1nnc2c3c4c(sc3c(=O)n(-c3ccccc3)n12)CC(C)(C)OC4 2258489 ZHQDQGJKTLQJFJ-UHFFFAOYSA-N 398.513 3.668 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1Cl 3346764 QZHDNQVIKIOQSB-NRFANRHFSA-N 399.878 3.530 0 40 GHAB CCOC(=O)c1ccccc1C(=O)c1ccc(I)cc1 2392609 OODHNBLTCQNBJM-UHFFFAOYSA-N 380.181 3.699 0 40 GHAB Clc1ccc(COc2ccccc2CNCCN2CCOCC2)c(Cl)c1 23468428 OWYYUDAHTVPRFT-UHFFFAOYSA-N 395.330 3.994 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 12799015 ZMECXBLWUKHASJ-UHFFFAOYSA-N 385.851 3.704 0 40 GHAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12790676 YJEOTNNCCNPLTQ-HUUCEWRRSA-N 387.430 3.643 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)COC(=O)[C@H](C)Sc2ccccc2)c1C 12971270 CFDXGFCRTVMILO-AWEZNQCLSA-N 389.473 3.715 0 40 GHAB COc1cc(C(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1O 5099319 FFPRDXQZSBTDHA-UHFFFAOYSA-N 396.434 3.917 0 40 GHAB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3OC)n2)cc1 6171245 PJNNRBLIVDYFPJ-GFCCVEGCSA-N 384.461 3.608 0 40 GHAB COc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)cc(Cl)c1OC(C)=O 5163860 GFKPAHDAEJDVKI-SXGWCWSVSA-N 385.803 3.927 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc2ccccc2c1 5170078 DJTGPMLHJGWPEL-OAHLLOKOSA-N 388.423 3.761 0 40 GHAB Cn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 5202890 ZYQOYYBYWAGTSJ-UHFFFAOYSA-N 383.864 3.664 0 40 GHAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCc3cccnc3)c12 5267812 IZLGLZLHOMXLBF-OAHLLOKOSA-N 380.444 3.533 0 40 GHAB Cc1cc(Br)cc(Cl)c1OC(=O)Cn1c(C)csc1=O 5269185 JQCGTSOZCVFFQW-UHFFFAOYSA-N 376.659 3.548 0 40 GHAB CC(C)CCn1c(=O)c2ccccc2n2c(S[C@H]3CCCCC3=O)nnc12 5492233 HRFFFVBNZFNMDV-KRWDZBQOSA-N 384.505 3.694 0 40 GHAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 6515365 TVNMWZSHCNJAKI-ZRDIBKRKSA-N 395.455 3.799 0 40 GHAB NC(=O)c1c(NC(=S)NC(=O)c2cccc3ccccc23)sc2c1CCC2 4619890 XCBYEECJZSDRJC-UHFFFAOYSA-N 395.509 3.616 0 40 GHAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 5557625 XRWBMVOSLHJYJH-QGZVFWFLSA-N 386.517 3.742 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cccn3)cc2)c(OC)c1 8879329 UNBSLZQJYDLSIA-HXUWFJFHSA-N 377.444 3.867 0 40 GHAB COc1ccc(-c2nnc([C@H](C)Sc3nnnn3-c3ccccc3)o2)cc1 7096375 NYSXUJCIMYODKA-LBPRGKRZSA-N 380.433 3.574 0 40 GHAB O=C(NC1CC1)[C@H](Oc1ccc(I)cc1)c1ccccc1 7151282 WCNNCNMQYPSOGU-MRXNPFEDSA-N 393.224 3.690 0 40 GHAB CC(C)CSc1nnc(SCC(=O)NCCOc2ccccc2)s1 15513499 ZXRWOPAEGHAIAD-UHFFFAOYSA-N 383.564 3.574 0 40 GHAB Cc1cc(=O)c(C(=O)N[C@@H]2CCSc3ccccc32)nn1-c1ccccc1F 15610886 DNRQFUQRWBOGBD-MRXNPFEDSA-N 395.459 3.647 0 40 GHAB Cc1ccc(C)n1NC(=O)c1ccc(O[C@@H](C)C(=O)N(C)c2ccccc2)cc1 7338182 ISEXPQPMQYIHIO-SFHVURJKSA-N 391.471 3.919 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)C3(c4ccccc4)CC3)c2C)no1 7490749 WKJQTSOAWKAICL-UHFFFAOYSA-N 378.428 3.848 0 40 GHAB O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NC(=O)NC1CCCC1 8725641 PCBGJJMBKRDIDF-UHFFFAOYSA-N 384.505 3.746 0 40 GHAB COc1ccc2c(CSc3nnc4c(n3)[nH]c3ccccc34)cc(=O)oc2c1 7798375 ACZGSFHNVABIQN-UHFFFAOYSA-N 390.424 3.913 0 40 GHAB COc1ccccc1Oc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1 16303496 GMPNNUNJRKWHJD-UHFFFAOYSA-N 387.395 3.976 0 40 GHAB CC(C)[C@H](NC(=O)CN1CCCc2ccccc21)c1ccc2c(c1)OCCO2 21578304 JBRYFXLMGOBYRN-QHCPKHFHSA-N 380.488 3.724 0 40 GHAB CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 9062067 YOHGCYLSNFRFSH-UHFFFAOYSA-N 394.924 3.640 0 40 GHAB Fc1ccc(-c2noc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 9591754 FEOLUDQMPMHOAL-KRWDZBQOSA-N 381.407 3.984 0 40 GHAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1cc(-c2ccccc2)on1 9533275 MVLUOIXNKOGBKC-HXUWFJFHSA-N 379.441 3.687 0 40 GHAB COCCNc1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)s1 9723556 TZWFZGQFGYWECQ-UHFFFAOYSA-N 394.566 3.516 0 40 GHAB CCCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 409122013 YBZRZTMYXGHBTA-UHFFFAOYSA-N 388.533 3.723 0 40 GHAB CN(C(=O)CCCN1CCOC1=O)c1nc2c(s1)C[C@H](c1ccccc1)CC2 95958624 UFKITDXBFVFTJL-MRXNPFEDSA-N 399.516 3.611 0 40 GHAB COC(=O)c1c(C)n(C)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc12 79020923 LOSMJUSMSBIPDW-UHFFFAOYSA-N 380.444 3.908 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1cc(Cl)cc2c1OCOC2 79488893 HAENJLJOTIEUQZ-OAHLLOKOSA-N 395.868 3.701 0 40 GHAB Cc1ccc2c(C)nc(NC3=NCN(Cc4ccccc4Cl)CN3)nc2c1 20634319 AASIBFOMCBSQIW-UHFFFAOYSA-N 380.883 3.688 0 40 GHAB O=C(c1ccccc1)N1CC[C@@]2(C1)CN(C(=O)c1ccccc1)c1cccnc12 306128720 HIYRXIAYUXTBNA-XMMPIXPASA-N 383.451 3.526 0 40 GHAB O=S(=O)(Nc1ccc(Oc2ccccn2)cc1)c1cnn(-c2ccccc2)c1 505319147 XGUKFIBDBSIDIS-UHFFFAOYSA-N 392.440 3.860 0 40 GHAB Cc1ccc2sc(CN3CCC[C@H](CNC(=O)CC(F)(F)F)C3)nc2c1 528503979 FXLIPURJDWWNHA-CYBMUJFWSA-N 385.455 3.885 0 40 GHAB O=C(Nc1ccc(F)cc1Nc1ccccc1F)c1cn(C[C@@H]2CCOC2)nn1 529011392 QUMCROGKLMUKKS-ZDUSSCGKSA-N 399.401 3.589 0 40 GHAB O=C(c1ccc(F)cc1)c1ccc(OC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 32962542 SCQAMXSETBKDEH-UHFFFAOYSA-N 395.430 3.611 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(OC)c3)o2)cc1 36664551 QQZUYDOJEGVIFC-UHFFFAOYSA-N 385.445 3.875 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCC1CCN(Cc2cccs2)CC1 38584573 UFPITQXTLLHFHW-GQCTYLIASA-N 384.501 3.518 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)SCc2ccccc2)c(OC)c1OC 44484423 NPRINZFTAHUHIP-CQSZACIVSA-N 375.490 3.651 0 40 GHAB CC(C)Oc1ccc(CCCNC(=O)c2cccc(N3CCCC3=O)c2)cc1 219213188 SRBWTQFEACFBSD-UHFFFAOYSA-N 380.488 3.963 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 223094526 ZNQOMILOJCCBBE-NRFANRHFSA-N 396.531 3.852 0 40 GHAB CCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(F)cc1 224913123 AAHZDFOSWOEYJA-UHFFFAOYSA-N 385.844 3.546 0 40 GHAB CSc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 223768711 ZFPUHFXAIINRCL-UHFFFAOYSA-N 395.893 3.590 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2ccc(-n3nc(C)c(C)c3C)nc2)cc1OC 49407426 VDRQHQPQNFFWDT-HNNXBMFYSA-N 394.475 3.701 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 223196588 PIQJJGKRBJMRJC-IBGZPJMESA-N 388.508 3.780 0 40 GHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCOc2ccccc2)c1 225105833 DYJKZPPKOLOASC-PGMHBOJBSA-N 390.439 3.554 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 223238210 WJDUDOYUFFZWNR-QGZVFWFLSA-N 386.467 3.538 0 40 GHAB O=C(Nc1ccc(F)cc1)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 224268003 PIRDVNGLDFOEMB-UHFFFAOYSA-N 392.438 3.586 0 40 GHAB CCOc1ccc(CCC(=O)N2CCN(c3ccccc3)CC2)cc1OCC 44880767 PSOXNMQHTGQRLC-UHFFFAOYSA-N 382.504 3.765 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 224123506 RSWDOEACGGTRJX-GOSISDBHSA-N 388.895 3.662 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1 223148058 BBHOLDKQWWICPY-LJQANCHMSA-N 388.895 3.581 0 40 GHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CC1 223300619 LFNGBGOPMADCPB-WMQCIHAUSA-N 396.560 3.986 0 40 GHAB O=C(c1cccc(Br)c1)N1CC[C@H](N2CCc3ccccc3C2)C1 225686764 GKJNZWRPSMKOJU-IBGZPJMESA-N 385.305 3.722 0 40 GHAB Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)n1 96119476 JHFUBIVMIIFTSI-UHFFFAOYSA-N 380.423 3.603 0 40 GHAB CC(C)NC(=O)N1CCc2nc(C(=O)Nc3cccc(Cl)c3)sc2CC1 96146907 MKAWJZABMQFTCI-UHFFFAOYSA-N 392.912 3.567 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCSCC1)c1csc(-c2ccccc2)n1 253395353 BVKPVPGGDGZHMI-QGZVFWFLSA-N 399.541 3.923 0 40 GHAB Cn1ccnc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257322026 WEHVLFXMRRWFTC-OAHLLOKOSA-N 384.867 3.672 0 40 GHAB COc1cccc(Cc2cnc([C@H]3CCCN3C(=O)c3ccc(C)nc3)o2)c1 257252679 JVROKOLJMSPYAY-HXUWFJFHSA-N 377.444 3.955 0 40 GHAB O=C(c1cncnc1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257266809 MEPGQMXTHBNYRW-HNNXBMFYSA-N 382.851 3.729 0 40 GHAB O=C(Cn1ccnc1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257239025 HNOSUWXJEZDWIF-INIZCTEOSA-N 384.867 3.522 0 40 GHAB COc1cccc2cc(C(=O)NC[C@](O)(c3ccsc3)c3ccco3)oc12 253472494 MTABIFHQHGLBES-FQEVSTJZSA-N 383.425 3.762 0 40 GHAB CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)C1 1646586401 HKWQHJCAKRCNSK-NOLJZWGESA-N 396.434 3.506 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390832273 YHYDUVDFBJVQRP-IRXDYDNUSA-N 392.434 3.825 0 40 GHAB CC(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CC(F)C1)C2 585107418 VKGOMTOYSPFTGA-XWTGJVNOSA-N 382.483 3.524 0 40 GHAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccc(C)cc3)C2=O)cc1 8083748 PPWWKFWGDFZSEZ-UNOMPAQXSA-N 394.496 3.910 0 40 GHAB Cc1cc2occ(CC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)c2cc1C 12203518 CHTUWEVJLSUTBQ-UHFFFAOYSA-N 392.455 3.703 0 40 GHAB CC(=O)N[C@H](CC(=O)Oc1ccc(C)cc1Br)c1ccccc1 12789686 LMMHSMQEDYYCNA-MRXNPFEDSA-N 376.250 3.930 0 40 GHAB CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@H](C)Oc1ccccc1 13850205 XUSNFWGATHIGCU-INIZCTEOSA-N 396.516 3.847 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1C(=O)NC2(CCCC2)C1=O 14164312 ZUTDCZPASCKXAJ-HNNXBMFYSA-N 377.444 3.545 0 40 GHAB COC(=O)c1c(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)sc2c1CCC2 15831265 QPFFLAPZUPRHCV-UHFFFAOYSA-N 397.452 3.999 0 40 GHAB CC(C)Oc1ccc(CN2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 19450572 MICKLBNNBLSUCG-SFHVURJKSA-N 390.487 3.609 0 40 GHAB CCCC(=O)N1CCC[C@@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 19755381 FJVLTJDUXFXBSH-QGZVFWFLSA-N 382.464 3.510 0 40 GHAB Cc1cc(OC2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc(=O)o1 206972789 FTPHBNLYACBUQR-UHFFFAOYSA-N 385.504 3.925 0 40 GHAB Cc1cccc(OCC(=O)Nc2cc(Br)c3nc(N)sc3c2)c1 226312193 NWSPSXIEUWIEHY-UHFFFAOYSA-N 392.278 3.967 0 40 GHAB COc1ccc(CC(=O)N2CCCC[C@H]3NCC[C@H](c4ccccc4)[C@H]32)cc1 19554237 CLHQCSBAPCUUNM-CQOQZXRMSA-N 378.516 3.765 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 2638796 QAWAXYRGBWQREC-UHFFFAOYSA-N 392.459 3.941 0 40 GHAB CC(C)(C)c1nc2ccccc2n1C1CN(c2ncc(Br)cn2)C1 1889186652 SCBMHGUEBKTTKM-UHFFFAOYSA-N 386.297 3.948 0 40 GHAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)c1ccccc1C(F)(F)F 238978438 ZZNKWYAEAYVNAG-UHFFFAOYSA-N 378.310 3.551 0 40 GHAB COc1ccccc1CN1CCC[C@@]2(CC1)CC(=O)NCc1ccccc1N2 2037988715 FVWNPNLVNOZPKT-HSZRJFAPSA-N 379.504 3.552 0 40 GHAB O=C(CCC1CCCC1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037839879 CURMNGMOISVNEF-UHFFFAOYSA-N 388.483 3.521 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(s1)CCc1ccccc1-2 4585733 LNYGVIWJHRVICV-UHFFFAOYSA-N 398.509 3.955 0 40 GHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)cc3C)ccc21 17248182 ZODAPYZWYREKGK-UHFFFAOYSA-N 376.453 3.624 0 40 GHAB Cc1ccccc1NC(=S)N[C@H](C)[C@@H](c1cccs1)N1CCOCC1 23182174 GAZVSJWYGOUUHF-QAPCUYQASA-N 375.563 3.805 0 40 GHAB CC(C)(C)NC(=O)N1CCC(CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 43978665 XUKMJJVZLIYMKM-UHFFFAOYSA-N 385.430 3.655 0 40 GHAB COc1ccc(CNC(=O)COc2cc(C)nc(-c3ccc(Cl)cc3)n2)cc1 49007027 WRPHAAAXKDRNIQ-UHFFFAOYSA-N 397.862 3.809 0 40 GHAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccc(Cl)s1 575610068 JXLXWSYIRFEXFT-JTQLQIEISA-N 389.907 3.735 0 40 GHAB COc1ccc(Br)c(C(=O)NCC[C@@H](CCO)c2ccsc2)c1 575607754 ONWCXBJZYMICGG-LBPRGKRZSA-N 398.322 3.805 0 40 GHAB O=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccc(Br)cc12 17076735 OMPIZOPUGUJHHM-UHFFFAOYSA-N 375.197 3.994 0 40 GHAB O=C(Nc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1)NC1CC1 40122741 LGJPBVDPKIEUFR-UHFFFAOYSA-N 379.445 3.741 0 40 GHAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)n1 40121547 YYJUFDFFTZXIMM-GFCCVEGCSA-N 390.553 3.921 0 40 GHAB C[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(Br)s1 31076176 HBUGCYDIJQBVNN-MRVPVSSYSA-N 378.338 3.880 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 8132472 VCXZLHHVHFJLEX-UHFFFAOYSA-N 388.508 3.867 0 40 GHAB O=C([C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCc2ccccc2C1 976503 WIZGLEVJQLUUPG-QFIPXVFZSA-N 396.446 3.609 0 40 GHAB CCOc1ccc(/C=C2/SC(=O)N(CN3CCCC3)C2=O)cc1OCC 59442755 FUYUTAJQSHHBDB-SFQUDFHCSA-N 376.478 3.574 0 40 GHAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1cccs1 4106254 VCVIAZIPCULTOR-XMMPIXPASA-N 377.878 3.602 0 40 GHAB COc1ccc(CC(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1OC 6587881 AYSRQSAAFAJBRI-KVSKMBFKSA-N 392.492 3.794 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccc(F)c3)sc2c1 6761459 LDROMFZQLOKWCK-UHFFFAOYSA-N 388.449 3.521 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc(N2CCCC2=O)c1 6987716 FIUGHHCNTDMLMR-UHFFFAOYSA-N 378.350 3.850 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 8261965 KQHCFWRORUFKQS-CYBMUJFWSA-N 392.908 3.836 0 40 GHAB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccc3c(c2)C[C@@H](C)O3)C1=O 10299016 IERPXOMUVQOZIP-MKVLZVNKSA-N 396.830 3.638 0 40 GHAB Cc1ccc(N(CCCC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1C 10333509 YWIUQBKDBICBFH-UHFFFAOYSA-N 388.533 3.508 0 40 GHAB Cc1ccc(CNC(=O)[C@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)o1 100116079 FFZJWVNDKSSNQB-REIWIRAVSA-N 393.487 3.582 0 40 GHAB c1ccc2cc(OCCSc3nnc(N4CCOCC4)n3C3CC3)ccc2c1 32827064 NDRJBHRIQNIYJT-UHFFFAOYSA-N 396.516 3.774 0 40 GHAB COCCc1c(C)nc(Nc2nc(-c3ccccc3)c3ccccc3n2)[nH]c1=O 20798053 CZVSPRCMESEXKK-UHFFFAOYSA-N 387.443 3.621 0 40 GHAB CCOC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1 102619101 HQGYQEJSRZMEHJ-NSISKUIASA-N 377.440 3.937 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)N(C)Cc3nc4ccccc4s3)CC2=O)cc1 8264959 WGNIAAMONJXTKF-INIZCTEOSA-N 393.512 3.870 0 40 GHAB O=C(Cc1cn2ccsc2n1)N1CCC[C@H](c2nc3ccccc3s2)C1 8279514 ASSYKKABRUHXMI-ZDUSSCGKSA-N 382.514 3.954 0 40 GHAB CCCOc1nc2ccccc2nc1N1CCC(C(=O)NCc2ccco2)CC1 33088354 CYRUJBOUCCWRDR-UHFFFAOYSA-N 394.475 3.544 0 40 GHAB O=C(Nc1cccc(F)c1)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195889 ZIPMYWLSVWSCIP-UHFFFAOYSA-N 382.844 3.661 0 40 GHAB Cc1ccc(CNC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1F 12487934 GGQMOOCCYVLYGX-UHFFFAOYSA-N 380.448 3.924 0 40 GHAB Cc1ccc2c(CC(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)coc2c1 23156377 PTYDRASFGFNPDK-NRFANRHFSA-N 396.462 3.613 0 40 GHAB CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCCc5ccccc54)ccc1c23 956894 ZCUJPOFAWNQNMC-UHFFFAOYSA-N 392.480 3.961 0 40 GHAB CC(=O)N[C@@H]1C(=O)N(CCOc2ccc(Cl)cc2Cl)c2ccc(C)cc21 100485483 FYLMTTORHKYOJF-SFHVURJKSA-N 393.270 3.905 0 40 GHAB O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccccc1SC(F)F 23264509 IEZWMDHGYULDBE-UHFFFAOYSA-N 397.516 3.819 0 40 GHAB Fc1ccccc1CSCCNC(=S)Nc1ccc2c(c1)OCCO2 53579701 RRNKFUHOXRYHQI-UHFFFAOYSA-N 378.494 3.817 0 40 GHAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(CSc2ncn[nH]2)cc1 42851943 BKCWXJRPCYPUJI-UONOGXRCSA-N 384.427 3.948 0 40 GHAB CCOC(=O)c1c(NC(=O)N(C)Cc2ccc3c(c2)OCO3)sc(C)c1C 24570959 XFHBBEAVQCSUTB-UHFFFAOYSA-N 390.461 3.934 0 40 GHAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCCCCC3)c3ccccc32)cc1 1320693 BPASMLZCJCRINA-XMMPIXPASA-N 392.499 3.636 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 25069592 AZXJIQUUWFHRPN-UHFFFAOYSA-N 392.434 3.634 0 40 GHAB CCOC(=O)Nc1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)cc1 55600349 IRRXMHNMSLHOPB-UHFFFAOYSA-N 385.445 3.912 0 40 GHAB COC(=O)N[C@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 3168232 PCRWEDMIAVSDCL-QMMMGPOBSA-N 391.107 3.679 0 40 GHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cccnc2Sc2ccccc2)CC1 25324825 YLKKXWDIVMDYIV-UHFFFAOYSA-N 399.516 3.926 0 40 GHAB CC(C)NC(=O)CSc1ccccc1C(=O)N(C)CCN(C)c1ccccc1 107505705 QPMZJCMVMDVSQZ-UHFFFAOYSA-N 399.560 3.512 0 40 GHAB COCC(=O)Nc1cccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)c1 24897972 NLWRSVGZTYWKGW-UHFFFAOYSA-N 398.850 3.671 0 40 GHAB CCOCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 1745311 NKWUJQMJWBNMJV-WUXMJOGZSA-N 399.443 3.549 0 40 GHAB biogenic CCc1cc(=O)n(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc(Cl)c2)n1 57527573 NELKHMCVFGLKDY-GASCZTMLSA-N 387.911 3.631 0 40 GHAB CCN(CC)C(=O)c1ccc(NCC(=O)N2CCc3ccccc3C2)cc1Cl 57788985 OXBSVOBNYRQBNQ-UHFFFAOYSA-N 399.922 3.819 0 40 GHAB COc1ccc(CCN(C)C(=O)c2cccc(Br)c2)cc1OC 3334159 UZUMRAVCLULPGP-UHFFFAOYSA-N 378.266 3.781 0 40 GHAB COc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2C)cc1 3337526 NMJFFVYKMSXJIK-UHFFFAOYSA-N 390.505 3.580 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)c2ccc(F)c(F)c2)n1C 3303843 IZZFIHJOKQQJNQ-UHFFFAOYSA-N 375.400 3.744 0 40 GHAB O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)Nc1cccc(F)c1 58176671 HZUIJUPXPPYITF-UHFFFAOYSA-N 398.869 3.788 0 40 GHAB COc1ccc(C2=NN(C(=O)CN[C@H](C)c3ccco3)[C@H](c3ccco3)C2)cc1 12772959 HOHPVAPRNMPMIN-BEFAXECRSA-N 393.443 3.910 0 40 GHAB O=S1(=O)CC[C@H](Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)C1 8313945 HZZKHFNOAOBGGQ-LBPRGKRZSA-N 379.894 3.611 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3sc(C)nc3C)o2)cc1 12753149 JGMFEWOLPGIGTO-JTQLQIEISA-N 390.490 3.938 0 40 GHAB COc1ccc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1OC 2388359 WFUGVKVLSWNOGD-UHFFFAOYSA-N 383.429 3.665 0 40 GHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)NCCO[C@@H]3CCCC[C@H]3C)c2)n1 69518406 VDVVMBUDYURKQW-DNVCBOLYSA-N 398.507 3.716 0 40 GHAB O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccncc1 6040039 SACHOUCCBQVCNA-JOCHJYFZSA-N 398.422 3.628 0 40 GHAB C[C@H](NC(=O)COC(=O)c1cccnc1Cl)C12CC3CC(CC(C3)C1)C2 6064489 NBUBGYBFCIZSJC-PGBBXINNSA-N 376.884 3.613 0 40 GHAB COc1ccc(C2=NO[C@H](Cn3c(=O)cc(C)c4ccccc43)C2)c(OC)c1 4282484 XMAQPTVUCNWFCP-INIZCTEOSA-N 378.428 3.520 0 40 GHAB O=C(CNC(=O)c1ccc2ccccc2c1)OCc1ncc(-c2ccccc2)o1 6103648 YASVOGKAHZRUOS-UHFFFAOYSA-N 386.407 3.968 0 40 GHAB Cn1c(NC(=O)c2ccco2)c(-c2ccc3c(c2)OCO3)c(=O)c2ccccc21 5205420 BMOVWGQJKHMOIF-UHFFFAOYSA-N 388.379 3.780 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1F 6388492 PEJYRJPTHUVNQQ-UHFFFAOYSA-N 376.236 3.935 0 40 GHAB Cc1ccc(C(=O)Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)cc2)cc1 4592894 DAXNLRPFFBIFNM-JSJNYSNDSA-N 375.424 3.750 0 40 GHAB CN(C)C(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 5413768 WTZHKSXJUOJHBN-UHFFFAOYSA-N 391.562 3.632 0 40 GHAB C[C@@H](Sc1nncn1C)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 5667178 JVMGYCIVVAPZGQ-MRVPVSSYSA-N 375.504 3.695 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1C 6767909 OMURAXYDPUTRME-UHFFFAOYSA-N 385.826 3.958 0 40 GHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/c1nc2ccccc2s1 6876235 SUNWLMFTMBPLMC-SYTKJHMZSA-N 393.921 3.985 0 40 GHAB Cc1cc2nnc(SCC(=O)NCCc3ccc(F)cc3)n2c2ccccc12 5884928 XBUYMAOLTJJWGX-UHFFFAOYSA-N 394.475 3.781 0 40 GHAB COCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3O)c2[C@@H]1c1ccc(C)cc1 8845761 PXBNDVCIOPGQOZ-NRFANRHFSA-N 377.444 3.591 0 40 GHAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 7125748 QJFPXRVOXGVFOO-NRFANRHFSA-N 399.878 3.698 0 40 GHAB O=C(CSc1nnc(NCc2ccco2)s1)Nc1ccc2c(c1)CCC2 7161835 LTXGQCJNHKJWIJ-UHFFFAOYSA-N 386.502 3.963 0 40 GHAB Cc1cccc(NC(=O)COc2ccc(C(=S)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 409255833 ZURFOKZONKZXFO-IRXDYDNUSA-N 398.528 3.797 0 40 GHAB O=C(COc1ccc2ccccc2c1)N1CCC(c2nnc3ccccn23)CC1 8920559 NPYQVKIXLUURKX-UHFFFAOYSA-N 386.455 3.668 0 40 GHAB COc1ccc(NC(=O)C=C(C)C)cc1NS(=O)(=O)c1ccc(F)cc1 15900914 KJOJCJQBYHEABU-UHFFFAOYSA-N 378.425 3.540 0 40 GHAB Cc1cccn2c(=O)cc(CSc3nnc(-c4cccs4)n3C3CC3)nc12 7763742 DGIGLJKWFGJDNA-UHFFFAOYSA-N 395.513 3.950 0 40 GHAB COc1ccc(-c2nnc([C@H](C)OC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)o2)cc1 7732578 WEBPMFHDZHUGGA-NTQSIJHJSA-N 384.432 3.745 0 40 GHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(OC[C@@H]2CCCO2)cc1 19358462 WLOQPCJAEXCSIC-HNNXBMFYSA-N 377.343 3.818 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)N(c3ccccc3)C(C)C)C(=O)[C@@H]2C)cc1 16695097 RRXDSPRINDEWQX-KRWDZBQOSA-N 379.460 3.594 0 40 GHAB Cc1ccc(OCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)cc1 408570985 MNNMONFTYGDIOF-UHFFFAOYSA-N 376.456 3.834 0 40 GHAB CCc1ccccc1NC(=O)Cc1nnc(SCc2ccc(F)cc2)n1C 9582387 MFDKDKZBUKBHNC-UHFFFAOYSA-N 384.480 3.990 0 40 GHAB COc1ccc(/C=C2/N=C(c3ccccc3OC(F)F)OC2=O)cc1OC 96635202 YGPKHJQAPGATNA-UKTHLTGXSA-N 375.327 3.650 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3cccnc3-n3cccn3)sc2C)cc1 96997755 TWHSUDXMRKWFJX-UHFFFAOYSA-N 391.456 3.960 0 40 GHAB O=S1(=O)c2ccccc2[C@H](NCc2cccnc2)CCN1c1ccccc1 306139203 SSBXFWNVCAQDFF-HXUWFJFHSA-N 379.485 3.512 0 40 GHAB Cc1cc(NC(=O)CN2c3ccccc3OC[C@H]2C)n(-c2ccc(F)cc2)n1 78950534 WNHDJBNBNXRSOM-OAHLLOKOSA-N 380.423 3.546 0 40 GHAB O=C([C@H]1COc2ccccc2C1)N1CCCN(Cc2ccc(Cl)cc2)CC1 84579452 YQNGKSAWWXVQAP-LJQANCHMSA-N 384.907 3.626 0 40 GHAB O=C(c1cc2ccccc2nc1N1CCCC1)N1CCC[C@H](N2CCCC2)C1 95957405 QDIOVDULUKWPGK-IBGZPJMESA-N 378.520 3.535 0 40 GHAB Cc1ccc(C(=O)N[C@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C(C)C)cc1 9900475 WTHJWFRDKCYQNR-QFIPXVFZSA-N 389.499 3.816 0 40 GHAB CCCC[C@H](CC)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 29431084 GNCPTGYLYAOSHD-KRWDZBQOSA-N 380.554 3.726 0 40 GHAB COC(=O)c1ccccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 67976256 HBEUFBMTRQETHH-UHFFFAOYSA-N 385.807 3.748 0 40 GHAB COc1cccc(CN2CC[C@]3(C2)CN(Cc2ccccn2)c2cccnc23)c1 306124656 BVUYVUDNYWEKTJ-DEOSSOPVSA-N 386.499 3.649 0 40 GHAB CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(OC(C)C)c2)CC1 408629194 PDKJBOACTOSWDG-UHFFFAOYSA-N 395.503 3.785 0 40 GHAB C[C@@H](NC(=O)c1cnc2sc3c(n2c1=O)CCCC3)c1ccc(Cl)cc1 20030114 UYZZWAUUZKADPR-LLVKDONJSA-N 387.892 3.779 0 40 GHAB COc1ccc(CN2C[C@H]3Cc4ncc(-c5ccc(OC)cc5)n4C[C@H]3C2)cc1 306134060 NCSUQYUOSZPOIV-WOJBJXKFSA-N 389.499 3.872 0 40 GHAB CCc1nc(C)c(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)o1 555741223 GCBHQYAUKHWLDD-OAHLLOKOSA-N 379.863 3.905 0 40 GHAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 408628644 VVZWOYUNRURYJS-UHFFFAOYSA-N 379.844 3.954 0 40 GHAB CCOc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccc2ccccc2c1 409044465 CNXZPLVRLFCHKM-XDHOZWIPSA-N 388.423 3.998 0 40 GHAB COc1ccccc1-c1ccc(N2CCC(NC(=O)c3ccsc3)CC2)nn1 1120890371 QPSDYMNCTZOQAZ-UHFFFAOYSA-N 394.500 3.613 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2ccnc(Nc3cncnc3)n2)C1 72377552 IVPUJNRZVXBIOS-OAHLLOKOSA-N 394.866 3.683 0 40 GHAB C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 57291810 SVPYJARQTXVETR-CYBMUJFWSA-N 379.838 3.767 0 40 GHAB N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 72227325 PKKVKQNBXWEMAA-KGLIPLIRSA-N 385.183 3.883 0 40 GHAB CCc1nnc2ccc(SCC(=O)Nc3ccc(Cl)cc3Cl)nn12 44890142 YGCKYOZEGVXUFD-UHFFFAOYSA-N 382.276 3.724 0 40 GHAB CCOc1ccc(C(=O)CSc2nnnn2-c2c(C)cc(C)cc2C)cc1 41124450 CLEMMQPPUAUBDI-UHFFFAOYSA-N 382.489 3.961 0 40 GHAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1 225623450 LLCGBYNXBFITBB-QFIPXVFZSA-N 392.540 3.712 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2)cc1Cl 224950993 JFPDPHDSPQTWTL-UHFFFAOYSA-N 390.686 3.936 0 40 GHAB O=C(Cc1ccccc1Cl)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225731816 UGLJTTNOMHBVRU-AWEZNQCLSA-N 384.785 3.976 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 222997231 DYKXDOGSZFUHJU-OAQYLSRUSA-N 382.504 3.707 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1C 222505619 OEOGEYMGYAJIHW-CQSZACIVSA-N 394.924 3.844 0 40 GHAB CCc1ccc(OCCNS(=O)(=O)Cc2ccc(Br)cc2)cc1 224185750 XZGNMHHUSXAINW-UHFFFAOYSA-N 398.322 3.510 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3OC(C)C)ccc21 225698530 LDHGOEMFUDCNEH-UHFFFAOYSA-N 392.502 3.671 0 40 GHAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ncccc2Cl)CC1 96024768 AMCIYHBCXUGKAN-UHFFFAOYSA-N 396.878 3.819 0 40 GHAB O=C(C[C@@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21)NC1CC1 96053413 MYNPGJIGAMUWPK-QGZVFWFLSA-N 380.488 3.849 0 40 GHAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21 96053033 MUKUNRIWYKSAIE-HXUWFJFHSA-N 394.563 3.700 0 40 GHAB O=C(c1nccc2ccccc12)N1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257318489 VOEILUPNJJIRNA-INIZCTEOSA-N 398.470 3.510 0 40 GHAB CCCCn1nc(C)c(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)c1C 257229062 FWNZEELEKXWOME-AVRDEDQJSA-N 394.567 3.952 0 40 GHAB O=C(Cn1cccn1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257284257 PBXZFEUEPVISLW-MRXNPFEDSA-N 384.867 3.522 0 40 GHAB COc1ccc(-c2nc3c(s2)[C@H](NC(=O)CCc2ccn(C)n2)CCC3)cc1 585085835 BRRMCONKEFKNLL-QGZVFWFLSA-N 396.516 3.679 0 40 GHAB Cc1noc(Cc2ccccc2NC(=O)C2(c3ccccc3)CCOCC2)n1 96097071 WMKUIDCWJOMTHU-UHFFFAOYSA-N 377.444 3.656 0 40 GHAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(Br)s1 48957153 YZIKUHGZAJULGD-CYBMUJFWSA-N 393.306 3.604 0 40 GHAB CC(=O)N1CCC[C@H](C(=O)Nc2nc(C)c(Cc3ccccc3Cl)s2)C1 55586338 NPQQJZZNPGCPFB-HNNXBMFYSA-N 391.924 3.893 0 40 GHAB O=C(Cc1ccc2c(c1)CCCO2)Nc1ccccc1OCCN1CCCC1 72392116 PMCUGLGHTZRBEV-UHFFFAOYSA-N 380.488 3.667 0 40 GHAB O=C(O)[C@@H](Cc1ccc(O)cc1)NC(=O)N(c1ccccc1)c1ccccc1 5774109 JBRTTYMKLZTNNP-HXUWFJFHSA-N 376.412 3.936 0 40 GHAB COc1ccc(-c2nc3cnccn3c2NCc2ccc(F)cc2)cc1CO 12113862 WIKKRHBWQIUSKH-UHFFFAOYSA-N 378.407 3.648 0 40 GHAB CCN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)c1cccs1)c1ccccc1O2 12275005 ZNGSHDWCLSYVPO-IIBYNOLFSA-N 384.501 3.773 0 40 GHAB O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1cccc(Cl)c1Cl 13636776 JSRBRAGSOHMEIC-MRXNPFEDSA-N 393.270 3.750 0 40 GHAB CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc23)ccc1OC 14291923 UPFFVQWXXWDTJM-UHFFFAOYSA-N 398.484 3.789 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1C 14607339 NNDNFOHWUNNROM-MRXNPFEDSA-N 395.850 3.737 0 40 GHAB Cc1nc2ccccc2nc1-c1nnc(-c2ccc(O[C@H](C)C(=O)O)cc2)s1 16265699 VAPXFJOWIKSQSQ-GFCCVEGCSA-N 392.440 3.976 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4cccc(OC)c4)C[C@H]23)cc1 19019433 RMFWARZHUOCHKT-WXFUMESZSA-N 394.515 3.540 0 40 GHAB Cc1cnccc1C(=O)N1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 19239435 MQAVTYHGZHWUDT-UHOFOFEASA-N 393.413 3.871 0 40 GHAB O=c1cc(C[C@@H](NCc2ccccc2)c2ccccc2)nc(-c2ccccn2)[nH]1 19372689 MFVKFGCGCATWQV-JOCHJYFZSA-N 382.467 3.906 0 40 GHAB COc1cccc(CC(=O)N2CCCCC[C@H]3N[C@H](Cc4ccccc4)C[C@@H]32)c1 19712937 JMXQKVSBLBYBSZ-JRFVFWCSSA-N 392.543 3.982 0 40 GHAB Cn1cc(-c2csc(NC(=O)c3noc4c3C[C@@H](C(C)(C)C)CC4)n2)cn1 19715633 QATSUOKBCZWGHE-LBPRGKRZSA-N 385.493 3.935 0 40 GHAB CC(=O)c1nn(-c2cccc(C(F)(F)F)c2)/c(=N/C(=O)c2ccccc2)s1 5379324 RANXZMVJRPAJCK-XLNRJJMWSA-N 391.374 3.896 0 40 GHAB Cc1cc(C[C@@H]2COC[C@H]2NCc2ccc(OCc3ccccc3)cc2)on1 12366579 QXQASGAZBGHSCK-NFBKMPQASA-N 378.472 3.909 0 40 GHAB O=C1COC2(CCN(Cc3c(F)cccc3Cl)CC2)CN1c1ccccc1 1203400334 XIFBHGOPCDBAQG-UHFFFAOYSA-N 388.870 3.877 0 40 GHAB CC(C)c1ocnc1CN1CCN(c2nc(C(C)(C)C)nc3c2CCC3)CC1 1888875659 KJBKJXWLNAHWMY-UHFFFAOYSA-N 383.540 3.696 0 40 GHAB COc1cc2c(cc1OC)-c1cc(Nc3cccc(Cl)c3)nc(=O)n1CC2 2447337 WHNPQAVNLUPFCZ-UHFFFAOYSA-N 383.835 3.881 0 40 GHAB Cc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccco4)n3)c2C)cc1C 9941143 PKRIEJUGFOCCQK-UHFFFAOYSA-N 380.433 3.556 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1F 11612628 KTXFNLGNPPAVLL-KRWDZBQOSA-N 390.480 3.706 0 40 GHAB COc1ccc(OCc2nnc3sc(COc4ccc(C)cc4)nn23)cc1 10312320 WOYQSYUMGVONLO-UHFFFAOYSA-N 382.445 3.661 0 40 GHAB O=C1C[C@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccc(Br)cc1 13577284 NJVRHXUQPSCUSH-INIZCTEOSA-N 384.233 3.674 0 40 GHAB Cc1noc(C)c1CN1C[C@H]2C[C@H](OCC3CC3)[C@@H](n3ccnc3C)C[C@H]2C1 2332242717 LDBRZOAQSYEMPC-MXNKGDRCSA-N 384.524 3.675 0 40 GHAB O=C(NCCCC(=O)N1CCCc2cc(OC(F)(F)F)ccc21)c1ccco1 40090423 UJCPRKKRYHERFX-UHFFFAOYSA-N 396.365 3.668 0 40 GHAB O=C(CCc1ccco1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40107809 OIWRLGFOSIPICG-KRWDZBQOSA-N 394.393 3.711 0 40 GHAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)cc1F 10904271 LAPFWHWQTICWQJ-UHFFFAOYSA-N 391.240 3.867 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2nn(C)c3nc4cc(C)ccc4cc23)c1 2446734 NIQUJGAQTYEPTE-UHFFFAOYSA-N 376.416 3.699 0 40 GHAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2449014 JZOVRICZXKZXSJ-UZLBHIALSA-N 391.423 3.526 0 40 GHAB COc1ccc(-c2nc(COC(=O)c3cccc(NC(N)=O)c3)cs2)cc1 7691029 IGFXUYIKMPHDST-UHFFFAOYSA-N 383.429 3.666 0 40 GHAB CCOC(=O)CSc1nnc(COc2ccc(C)cc2)n1-c1ccccc1 888368 CAECPHFXSBRTKC-UHFFFAOYSA-N 383.473 3.810 0 40 GHAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NC1CCCCC1 905030 NSOQRAACAJHJJI-UHFFFAOYSA-N 387.553 3.760 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc(N3CCOC3=O)c2)c(C)c1C 31720016 VMOYDZKMXLCRQB-UHFFFAOYSA-N 388.489 3.986 0 40 GHAB COc1ccc(OCc2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)o2)cc1 4169670 WSBPAFWPZNBYDM-ZIAGYGMSSA-N 391.493 3.539 0 40 GHAB O=C(COC(=O)c1ccc(Cl)cc1)NCc1ccc(Br)cc1 51356311 KFZOQXJFASYVRO-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2ccc(F)cc21 32095123 NCLNJMJNCYXTRI-JOCHJYFZSA-N 390.418 3.964 0 40 GHAB O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccccc3)ccc(=O)n1C2 4258770 UPWNUMXFOKEJAI-QFBILLFUSA-N 388.442 3.914 0 40 GHAB biogenic,in-vitro CCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nnc1-c1ccco1 4861116 ULQQLBMUIKAAQA-UHFFFAOYSA-N 399.476 3.637 0 40 GHAB CCn1c(SCc2cccc(C(=O)O)c2)nnc1-c1ccc(NC(C)=O)cc1 7605207 FTHOIVQKLQZBJU-UHFFFAOYSA-N 396.472 3.914 0 40 GHAB CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H]2C[C@](C)(N1)Oc1ccccc12 101623557 ZQVPPHHDCGMHHF-KSFYIVLOSA-N 379.412 3.618 0 40 GHAB CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)[nH]n2)cc1 21017134 APLOGENCVWKDEL-UHFFFAOYSA-N 394.450 3.577 0 40 GHAB C[C@@H](OC(=O)c1ccc(Br)s1)c1nc2ccccc2c(=O)[nH]1 8757934 GSJZLAXHCRJCSH-MRVPVSSYSA-N 379.235 3.665 0 40 GHAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 55062828 JRIPFSJGQQAPTQ-FJIJXJHWSA-N 389.543 3.927 0 40 GHAB CCCCNc1ccccc1C(=O)OCC(=O)Nc1ccc(OC)c(OC)c1 2654249 FJODQASUCPRVNL-UHFFFAOYSA-N 386.448 3.711 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1nc(-c2ccccc2)ns1 11916374 KHPMMFUJOVBJLX-UHFFFAOYSA-N 390.262 3.985 0 40 GHAB CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1 677902 OJPDMKDBWICNLN-NYYWCZLTSA-N 383.879 3.660 0 40 GHAB COc1cccc(C(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)c1 100750184 LDMWXTFTKNUZFH-KGVIQGDOSA-N 381.520 3.929 0 40 GHAB Cc1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccco3)CC2)c1Cl 22915297 IBEVOJZEJPCAFB-UHFFFAOYSA-N 382.291 3.651 0 40 GHAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1cccs1 23003729 LNQASLGNCBADAR-YOEHRIQHSA-N 380.469 3.786 0 40 GHAB C[C@H](CC(=O)c1ccccc1)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 89894691 GCFPBRPAXQTJMH-SNVBAGLBSA-N 387.288 3.515 0 40 GHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1O 7884960 DZTFQNFGUAPUSD-OAQYLSRUSA-N 390.395 3.901 0 40 GHAB O=C(CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1)Nc1ccccc1O 61720600 NPTHMEWTFXFWMY-QFIPXVFZSA-N 387.439 3.988 0 40 GHAB COc1cccc([C@H](NC(=O)c2ccc3ncsc3c2)c2nccn2C)c1 24017574 VBKUZDFKAOYRGQ-SFHVURJKSA-N 378.457 3.558 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)CNc2ccc3c4c(cccc24)CC3)cc1 24719006 CBRWTYJUESSLLR-UHFFFAOYSA-N 387.483 3.756 0 40 GHAB CC(C)(C)c1ccc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1 25436641 WXXDQZVAKLKAJD-UHFFFAOYSA-N 391.515 3.575 0 40 GHAB CSc1nc2ccccc2c(=O)n1CC(=O)c1ccc(Br)cc1 57486391 IZXMTZAUWMIDDL-UHFFFAOYSA-N 389.274 3.764 0 40 GHAB CN(C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 3215321 UBRTYCJYHIUUNX-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)ccc1O 7885016 GNEGBADVQOZVMH-OAQYLSRUSA-N 390.395 3.901 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(C2CC2)nn1-c1ccccc1 7990923 YEKVQEHDSONPKQ-UHFFFAOYSA-N 388.471 3.839 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 7985641 GVYJWQIEYHXPKG-HHNLSAEISA-N 392.499 3.824 0 40 GHAB Cc1nc2cc(C(=O)OCC(=O)NC3CCCCC3)ccc2n1-c1ccccc1 3475223 MGGQWYUCYAXZCQ-UHFFFAOYSA-N 391.471 3.940 0 40 GHAB CC(C)[C@@H](NC(=O)CCNC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 7943015 YYCKACHEQGCMSK-LJQANCHMSA-N 398.894 3.850 0 40 GHAB O=C1S[C@H](Cc2cc3c(cc2Cl)OCO3)C(=O)N1Cc1ccccc1 409142220 CHVXHWVPHQZNDG-MRXNPFEDSA-N 375.833 3.875 0 40 GHAB Cc1nn(Cc2cccc(NC(=S)NC3CC3)c2)c(C)c1Br 13331083 KKCYCVIWYFSHST-UHFFFAOYSA-N 379.327 3.760 0 40 GHAB O=C(c1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1)N1CCSCC1 64425196 VWMSXBOWSUELBV-UHFFFAOYSA-N 384.476 3.685 0 40 GHAB Cc1cc(C)c2nc(NC(=O)CSc3nnc4n3CCCCC4)sc2c1 14112969 LILKWKMVLSOXPN-UHFFFAOYSA-N 387.534 3.962 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)c(Br)c1 22877317 AZHCXWWLZLWDIZ-UHFFFAOYSA-N 391.290 3.835 0 40 GHAB CS(=O)(=O)Cc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 6579358 IDTBBDVMEJSFBB-UHFFFAOYSA-N 378.500 3.669 0 40 GHAB Cc1nc(CN2CCN(C(=O)Cc3coc4c(C)c(C)ccc34)CC2)cs1 14380700 JYEDHQVJGWIUSK-UHFFFAOYSA-N 383.517 3.701 0 40 GHAB CCOC(=O)Cc1csc(SCC(=O)Nc2c(C)cc(C)cc2C)n1 6612717 DDBQIYJHXLSGOG-UHFFFAOYSA-N 378.519 3.905 0 40 GHAB Cc1cccc(C)c1OCCSc1ccc(S(=O)(=O)N2CCCC2)cn1 17226656 ONPNOEPEUJSNKR-UHFFFAOYSA-N 392.546 3.654 0 40 GHAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1cc2ccccc2nc1Cl 6880328 NTVUZZJGKSJNNL-OAQYLSRUSA-N 377.831 3.782 0 40 GHAB COc1cccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C(C)=O)CC2)c1 4981760 YBEFORYZVBUCAO-OAQYLSRUSA-N 391.471 3.577 0 40 GHAB C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N1CCc2ccccc21 6941989 VWJJUVFAEGWIFV-CQSZACIVSA-N 380.469 3.750 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)cc1 6976161 SJLCJQHGHCDQQF-UHFFFAOYSA-N 389.455 3.815 0 40 GHAB NS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl 15435041 QASQAXMXVODELR-UHFFFAOYSA-N 379.652 3.547 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)CN2c3ccccc3CC[C@H]2C)c1 7217756 ZCOXMVOUGYLNEZ-QGZVFWFLSA-N 379.504 3.948 0 40 GHAB CC(C)[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc2c(c1)OCCO2 15817589 NQBMTCGRWOGDQG-VQTJNVASSA-N 387.863 3.928 0 40 GHAB Cc1ccc(-n2cnc(C(=O)N(C)c3ccc(OC(F)(F)F)cc3)n2)cc1 19910526 DGHHDUWYUDRNJT-UHFFFAOYSA-N 376.338 3.751 0 40 GHAB C[C@@H]1CN([C@@H]2CCN(CCc3ccccc3)C2)[C@H](C)CN1C(=O)OC(C)(C)C 96003627 VGIRGANCIPHTAP-SFHLNBCPSA-N 387.568 3.633 0 40 GHAB COc1cccc(C[C@@H]2CCCN2C(=O)c2cncc(Br)c2)c1 83973335 REVOJGWWGIVKIG-INIZCTEOSA-N 375.266 3.700 0 40 GHAB O=C(CNC(=O)c1cccc(F)c1)Nc1ccc(-c2cn3ccsc3n2)cc1 9378454 QSGVZGZZIABMON-UHFFFAOYSA-N 394.431 3.570 0 40 GHAB COc1ccc(-c2nc(NC(=O)[C@H](NC(C)=O)C3CCCC3)sc2C)cc1 9337139 OQQAYYLNMTULMJ-GOSISDBHSA-N 387.505 3.761 0 40 GHAB COc1cc([C@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)cc(OC)c1OC 20632692 QQLPEQINXZAEGW-CQSZACIVSA-N 378.428 3.811 0 40 GHAB CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9710425 GORUTLIFVBKSIS-UHFFFAOYSA-N 391.475 3.990 0 40 GHAB CCOc1ccccc1-c1csc(NC(=O)c2ccc(CNC(N)=O)cc2)n1 96999016 JGGPETRCHIDXTC-UHFFFAOYSA-N 396.472 3.629 0 40 GHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2CN(Cc3cccc(F)c3)C[C@@H]21 306131735 KOGWDSGFBLFTQO-CTNGQTDRSA-N 383.444 3.841 0 40 GHAB O=C(NC1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1)c1ccncc1 98212649 UNLFQADJGWMHPO-UHFFFAOYSA-N 381.867 3.524 0 40 GHAB Cc1ccc([C@](C)(O)CN[C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)o1 95968516 LWISYEWKPSQOJC-HRAATJIYSA-N 391.533 3.863 0 40 GHAB COc1cc(C(=O)NCCSCc2ccccc2C)cc(OC)c1OC 20241920 NVRMABOVBZIQMK-UHFFFAOYSA-N 375.490 3.684 0 40 GHAB COc1ccccc1CN1[C@H]2CCC[C@@H]1CC(NC(=O)Cc1ccccc1)C2 35290520 XWFPOWKBHQSEEQ-FRIKZZABSA-N 378.516 3.940 0 40 GHAB COc1cc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)ccc1OCc1ccccc1C 62715167 UIWIEDNRKXVULJ-YUAYGMJFSA-N 397.471 3.821 0 40 GHAB CCCCN(CC)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[C@@H](C)CC 67238768 YMUWWYZBVXNQMA-AWEZNQCLSA-N 378.542 3.745 0 40 GHAB COc1ccc(OC)c(N(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 408628058 SICZHZVIQMSLGQ-UHFFFAOYSA-N 390.288 3.977 0 40 GHAB CCc1nnsc1C(=O)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 72353391 QNFWSHVLCDCKLU-CQSZACIVSA-N 394.504 3.654 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 219520583 AEJUKWYDQLAGJT-UZLBHIALSA-N 389.517 3.742 0 40 GHAB O=C(C1CCOCC1)N1CCC(c2cncc(Oc3cccc(F)c3)n2)CC1 72362913 XHTCFUOEPDGAPP-UHFFFAOYSA-N 385.439 3.541 0 40 GHAB CCC(=O)N1CCC[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC)C1 72391536 YZTXIRQBWXTLTM-QHCPKHFHSA-N 382.479 3.800 0 40 GHAB O=C(c1cc(O)c(OCc2ccccc2)cn1)N1CCO[C@H](c2ccccc2)C1 71284354 UNTIXVPKRLREBQ-QFIPXVFZSA-N 390.439 3.580 0 40 GHAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 223598928 KRTDPXBGPNUCAR-QFIPXVFZSA-N 396.531 3.961 0 40 GHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H](c1ccsc1)N(C)C 48355287 BQKBZOFTRNCPBU-GOSISDBHSA-N 386.521 3.829 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 224222180 RDHFMTQJNQRTKL-OAQYLSRUSA-N 382.504 3.626 0 40 GHAB CCCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl 224342488 RIWADXUCVBPDLK-UHFFFAOYSA-N 380.897 3.613 0 40 GHAB COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)cc2)cc1 225879209 IXLBMNCDRPZQEI-ZHZULCJRSA-N 392.411 3.706 0 40 GHAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 223442587 UFZMOLUWNKBEFD-VQTJNVASSA-N 378.501 3.601 0 40 GHAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccncc1)c1ccccc1 223473759 ZCIJQLWECMMKKQ-JOCHJYFZSA-N 391.446 3.627 0 40 GHAB C[C@@H]1CCCCN1CCNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 48341255 LPXFXIRPCKTMPM-QGZVFWFLSA-N 378.476 3.737 0 40 GHAB O=S(=O)(Nc1ccccc1Cl)c1ccc(I)cc1 48430055 FMDYDYVLFWESPH-UHFFFAOYSA-N 393.633 3.745 0 40 GHAB COc1ccc(CSCC(=O)NCc2cccc(CN3CCCC3)c2)cc1 224592007 JEEBYRPNXMPKCE-UHFFFAOYSA-N 384.545 3.841 0 40 GHAB CCCOCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC 224417302 SCHGACTZBUGOAG-UHFFFAOYSA-N 382.504 3.580 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C 224586528 YVIMJFXKDMRTSV-JOCHJYFZSA-N 396.531 3.798 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3cccnc3)ccc2C)cc1 224307674 ZSPCNMDJCZUGNA-UHFFFAOYSA-N 395.484 3.776 0 40 GHAB O=C(CCn1ncc2ccc(Cl)cc21)NCCCn1cnc2ccccc21 96181957 TTZNUYUFDLBFBB-UHFFFAOYSA-N 381.867 3.636 0 40 GHAB CC(C)n1c2ccccc2c2c1cc(C(=O)N1CCCCO1)n2C(=O)N(C)C 96037387 XXEPFPLAGDSTBN-UHFFFAOYSA-N 382.464 3.874 0 40 GHAB CCN(CC)C(=O)CN1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1 257309348 UAPJEOKGPKZEEP-UHFFFAOYSA-N 399.514 3.716 0 40 GHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)[C@H]2COc3ccccc3O2)C1 252676379 WXLLVNYBSGRUEV-SQGPQFPESA-N 396.443 3.503 0 40 GHAB CCc1nnsc1C(=O)N1CCC[C@@H]1c1ccc(-c2c(C)noc2C)cn1 257298129 RKHQHSAYXOMNAB-MRXNPFEDSA-N 383.477 3.745 0 40 GHAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)[C@H]2C[C@H]2C)C1 253590796 FSYBVIZTRUHGCI-ICPLQIHGSA-N 396.487 3.712 0 40 GHAB COc1ccc(-c2nc(CC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)cs2)cc1 28349606 FGGYEEZWUMFIRW-PXNSSMCTSA-N 399.560 3.742 0 40 GHAB biogenic O=C1[C@@H]2C[C@H](C3CCCCC3)CN2C(=O)N1[C@H]1CCO[C@H](c2cccnc2)C1 642955489 XETCQNIZJQNNQJ-MUGJNUQGSA-N 383.492 3.535 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NC[C@@](O)(c1ccoc1)c1ccco1 390826607 NVEKQZCPBLBKCH-GOSISDBHSA-N 396.226 3.611 0 40 GHAB CS(=O)(=O)c1ccc(CCC(=O)NC2(c3cccs3)CCCC2)cc1 390827744 JSLOUNURINLLOW-UHFFFAOYSA-N 377.531 3.670 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 165936835 ITKYPFSPMRPYIS-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB CC(C)(C)c1ccc(NCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 1248539015 VRIBUWJPWARZQH-UHFFFAOYSA-N 383.448 3.516 0 40 GHAB CO[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(c4ccccc4)[C@@H](C2)C3(F)F)C12CCC2 1616044077 OMSRADOFUHZGIW-AXVVYFOYSA-N 376.447 3.562 0 40 GHAB COc1ccc(C(=O)Nc2cccn(Cc3c(F)cccc3Cl)c2=O)cc1 5000894 FHOGINZXHYBCAK-UHFFFAOYSA-N 386.810 3.950 0 40 GHAB O=C1[C@H]2CCC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)N[C@H]2c1ccc2c(c1)OCO2 5522420 SUOGCSHCUPAGNZ-RWFYYTQISA-N 379.412 3.515 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1cc(F)ccc1F 11612613 SXSBYQJOWBATHD-OAHLLOKOSA-N 394.443 3.537 0 40 GHAB COc1ccccc1C(=O)N[C@H](Cc1ccccc1)c1nn(C)c2ncccc12 12236079 TUUSJWQPDWTYCQ-LJQANCHMSA-N 386.455 3.691 0 40 GHAB COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C(C)C)c3nccs3)C2)cc1 12408171 DWROQQOWBDCFDS-PKOBYXMFSA-N 387.549 3.877 0 40 GHAB Cc1ccccc1-c1ccc(N2CCN(C(=O)Nc3cccs3)CC2)nn1 13666881 UBAHQIAJFJBQCJ-UHFFFAOYSA-N 379.489 3.868 0 40 GHAB COCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1 13720204 ZCSGPXNMYBDIFR-UHFFFAOYSA-N 385.851 3.862 0 40 GHAB Cn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cc2ccccc2o1 15018983 TXYQLFJCZPZNLK-UHFFFAOYSA-N 390.468 3.910 0 40 GHAB CCCCCC(=O)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 17080874 VQJICPKBOZSPQD-UHFFFAOYSA-N 395.484 3.881 0 40 GHAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccccc1Br 17964371 IRVCEALFVNHIRC-SNVBAGLBSA-N 391.290 3.984 0 40 GHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCCCSc1ccccc1 18083503 MTSHTMZRHVNIOQ-UHFFFAOYSA-N 390.892 3.937 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)CCc3nc(-c4ccncc4)no3)ccc2[nH]1 19083427 SRAJMBFWXNEWMD-UHFFFAOYSA-N 390.447 3.877 0 40 GHAB O=C1N[C@]2(COC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)Nc2ccccc21 19374622 XEMDNJYTPCRCCG-JOCHJYFZSA-N 397.906 3.647 0 40 GHAB CCCN1CCC(C[C@@H]2CC(c3ccccc3F)=NO2)(C(=O)OCC)CC1 19502609 MXVCELVNMGKYEC-INIZCTEOSA-N 376.472 3.764 0 40 GHAB COc1ccc([C@H](Cc2cc(=O)[nH]c(C3CCC3)n2)NC(=O)C2CCCC2)cc1 19553288 RCGSJWGNBYAFIJ-FQEVSTJZSA-N 395.503 3.636 0 40 GHAB Cc1[nH]c2ccc(F)cc2c1[C@@H](O)CN1CCN(c2ccc(F)cc2F)CC1 19581436 NZPAHMVBNLVXMI-FQEVSTJZSA-N 389.421 3.749 0 40 GHAB CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCc1ccncc1 19590182 BSOYAYKMIZTGHF-CQOQZXRMSA-N 377.532 3.883 0 40 GHAB Cc1cc(C)cc(C2(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)CCOCC2)c1 19661999 MMTJEZMWKDASEM-QFIPXVFZSA-N 398.522 3.910 0 40 GHAB CC(=O)N1CCCC[C@@H]2[C@H]1CCN2Cc1c(C)nn(Cc2ccccc2)c1C 19712478 MOXBZGVGFJVFPP-DHIUTWEWSA-N 380.536 3.524 0 40 GHAB Cc1onc(C(C)C)c1C(=O)N[C@H]1CC[C@]2(CCC(=O)N2)[C@@H](c2ccccc2)C1 19740291 AXSTWRIHWYNZQD-IXFSTUDKSA-N 395.503 3.821 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccccn1 4184430 FITJVQPVGLOONL-UHFFFAOYSA-N 377.429 3.653 0 40 GHAB CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2cccs2)CC1 19530754 OAZCNEMERUWZBW-UHFFFAOYSA-N 378.881 3.993 0 40 GHAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc2c(c1)OCCCO2 5021023 RFDXTRXRNXCXGU-UHFFFAOYSA-N 383.429 3.629 0 40 GHAB O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1cncn1-c1ccc(F)cc1 7120364 KYQNRNDGKYORFW-HXUWFJFHSA-N 393.418 3.532 0 40 GHAB CCOc1ccccc1-c1nnc2n1N=C(c1ccc(OC)c(OC)c1)CS2 13828737 KYGCKYUUZHDBPW-UHFFFAOYSA-N 396.472 3.719 0 40 GHAB Cc1cc(N2CCN(C(=O)Cc3c(C)[nH]c4ccccc34)CC2)nc(C(C)C)n1 24635711 NQJAIWDERCBOBG-UHFFFAOYSA-N 391.519 3.589 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)Cc1nnc2n1CCCCC2 32903343 ZNIGQFICTYPCAE-UHFFFAOYSA-N 381.505 3.709 0 40 GHAB COc1ccccc1Cn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=N 2033970182 VMUOLSJVQFIRAB-UHFFFAOYSA-N 381.439 3.887 0 40 GHAB Cc1cccc(CN2CCC[C@]3(CCCN(C(=O)c4sc(C)nc4C)C3)C2)n1 2056224746 TUIWDPRJFOLNJA-QFIPXVFZSA-N 398.576 3.982 0 40 GHAB CC(=O)c1oc2ccccc2c1NC(=O)CCCN1C(=O)c2ccccc2C1=O 1075146 SCZHFEWXLDCFPI-UHFFFAOYSA-N 390.395 3.650 0 40 GHAB O=C(CCc1ccccc1)N(c1ccc(Cl)cc1)[C@H]1C=CS(=O)(=O)C1 4165214 KCBXYOSUXBNBEV-SFHVURJKSA-N 375.877 3.617 0 40 GHAB CCOc1ccc(C(=O)N(c2ccccc2CC)[C@@H]2C=CS(=O)(=O)C2)cc1 4165560 BJYOURNDZYWUNR-GOSISDBHSA-N 385.485 3.605 0 40 GHAB COc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 5071459 HIAAPHMYJBWNMH-IBGZPJMESA-N 399.512 3.950 0 40 GHAB Cc1ccc(C(=O)N(CCCN(C)C)c2nc3cc4c(cc3s2)OCO4)cc1 5122445 GJLFJBLGVKTBQY-UHFFFAOYSA-N 397.500 3.932 0 40 GHAB O=C(CSc1nccn(-c2ccc(Cl)cc2)c1=O)Nc1ccc(F)cc1 7615781 KVPYDUWGZWGWQW-UHFFFAOYSA-N 389.839 3.756 0 40 GHAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(C)ccc(C)c3s2)cc1 10253201 KJLCYCUVXZZWFU-UHFFFAOYSA-N 388.514 3.888 0 40 GHAB COc1ccc(-n2c(C)nc3ccc(NC(=O)Cc4ccccc4)cc3c2=O)cc1 23143829 YJFNWVIUKVXZIK-UHFFFAOYSA-N 399.450 3.884 0 40 GHAB O=C([C@@H]1CCCN(c2nc(C(F)(F)F)cs2)C1)N1CCC(F)(F)CC1 2298188680 ZQERSVKIOCWLLM-SNVBAGLBSA-N 383.386 3.636 0 40 GHAB Clc1ccc(CN2CCc3nc([C@@H]4CCCNC4)ncc3C2)cc1Cl 19292968 DVKWKYBJOUVIMM-CQSZACIVSA-N 377.319 3.809 0 40 GHAB O=C(NCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 23468933 OUQZEIJEMYUHLC-UHFFFAOYSA-N 385.511 3.781 0 40 GHAB CCOc1cn(-c2ccccc2)nc1C(=O)N(CC(F)(F)F)c1ccccn1 102999329 ABLATZFLNMIYKZ-UHFFFAOYSA-N 390.365 3.875 0 40 GHAB Nc1nc(SC[C@H](O)CO[C@H]2CCCc3ccccc32)nc2sccc12 40018170 ALDNIURREILBJO-CJNGLKHVSA-N 387.530 3.821 0 40 GHAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1F 40113953 XPKXYHIKQQLODJ-UHFFFAOYSA-N 390.405 3.581 0 40 GHAB CSc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 40133771 UJGLNBKVRKIDAE-HIFRSBDPSA-N 390.940 3.946 0 40 GHAB Cc1ccc([C@@H]2CC(C(=O)Nc3cc(Cl)ccc3-n3cncn3)=NO2)cc1 40157968 XNBLSTGXFHXQJG-SFHVURJKSA-N 381.823 3.685 0 40 GHAB O=C(NCCC1=CCCCC1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955292 VOKSZCJGHRRWMR-UHFFFAOYSA-N 394.519 3.955 0 40 GHAB O=C(CSc1nccn1-c1cccc(F)c1)Nc1ccc2c(c1)OCCO2 6972884 KRGWRJUALQZSMV-UHFFFAOYSA-N 385.420 3.513 0 40 GHAB O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)NCC(=O)Nc1cn[nH]c1 69374333 GZXCKGZBPKTCJK-SOFGYWHQSA-N 386.864 3.560 0 40 GHAB O=C(NCCCO)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 3005618 GYDSTQXJLLEDBS-UHFFFAOYSA-N 378.388 3.654 0 40 GHAB aggregator CCCCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 3178292 PKDBJQVAKGZSDL-UHFFFAOYSA-N 397.427 3.626 0 40 GHAB Fc1ccc(Cn2nnnc2[C@H](c2ccccc2F)N2CCCCCC2)cc1 4968363 KNSXTZZLSPHFSZ-FQEVSTJZSA-N 383.446 3.965 0 40 GHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccccc1 6625042 SPNIUWSMYZVBST-UHFFFAOYSA-N 395.440 3.667 0 40 GHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC)CC1=O 7655497 AVECSRQZBNBXHL-ZDUSSCGKSA-N 388.851 3.739 0 40 GHAB CN(C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)[C@H]1CCS(=O)(=O)C1 11851769 IJDKWTYYMWKXIR-NSHDSACASA-N 388.272 3.513 0 40 GHAB Cc1cccc(CC(=O)N[C@H](C)c2cc(O)n3nc(-c4cccs4)cc3n2)c1 100769326 GFNYZGYNKRMBEX-CQSZACIVSA-N 392.484 3.892 0 40 GHAB COc1ccc([C@H]2CC(=O)c3cnn(-c4nc5ccccc5[nH]4)c3C2)cc1OC 10157245 IXUOHEJSZAMZCX-CQSZACIVSA-N 388.427 3.679 0 40 GHAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 10253518 JVKNLFMQCABKAC-GFCCVEGCSA-N 378.519 3.702 0 40 GHAB CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(N)=O 8253742 ASFHWOKJKZIVCF-UHFFFAOYSA-N 392.927 3.661 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2cc(C)ccc2C)n1 8476720 YRYFIWJMADVHPZ-UHFFFAOYSA-N 378.476 3.626 0 40 GHAB Cc1cccc(N(CCCC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c1 8558499 HDCRAPVPOWHTFG-UHFFFAOYSA-N 394.924 3.511 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(C)n1C1CC1 10985140 GHEDQYIEXUFTIO-ZDUSSCGKSA-N 398.484 3.912 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 2645411 QBHAMUSRMRNVEY-UHFFFAOYSA-N 398.337 3.528 0 40 GHAB CC(C)c1ccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 22256964 YZEZLLKZZTXFBE-UHFFFAOYSA-N 391.880 3.992 0 40 GHAB CSc1nc2ccc(NC(=O)CNC(=O)c3ccc(C)s3)cc2s1 9389871 XGZNVKOKSWQTNH-UHFFFAOYSA-N 377.516 3.757 0 40 GHAB COc1ccc(OC)c(NC(=O)N2CCN(c3nsc4ccccc34)CC2)c1 9874820 NDIGDRCKXBAOCP-UHFFFAOYSA-N 398.488 3.668 0 40 GHAB Cc1ccc2nc(CN3CCN(Cc4nc5ccccc5s4)CC3)cn2c1 22799884 OPUUSGUDPWDKQE-UHFFFAOYSA-N 377.517 3.570 0 40 GHAB COc1cc(CN2C[C@@H]3CCC[C@@H](C2)C3N2CCCCC2)cc(OC)c1OC 100214017 JVIBUCSPUGWKAZ-OALUTQOASA-N 388.552 3.799 0 40 GHAB Cc1cc(C)c([C@H](C)NC(=O)CN2CCN(Cc3ccsc3)CC2)cc1C 23257910 BFCWQSBLSOHROP-IBGZPJMESA-N 385.577 3.668 0 40 GHAB CCC(=O)N(c1nnc(SCCOc2ccc(OC)cc2)s1)C1CC1 23329237 HSKPDQJIXQLEBM-UHFFFAOYSA-N 379.507 3.623 0 40 GHAB CN(CCOc1ccccc1Cl)C(=O)c1cc(Br)ccc1O 28813964 KWXWHPNKPKOETI-UHFFFAOYSA-N 384.657 3.959 0 40 GHAB COc1ccc(C=O)cc1OCc1cn(-c2ccc(C(F)(F)F)cc2)nn1 1393657 NSCFEIDEDNMWQM-UHFFFAOYSA-N 377.322 3.686 0 40 GHAB S=c1n(CN2CCOCC2)nc(Cc2cccs2)n1C1CCCCC1 25638802 WBVSHFDFRLMWNX-UHFFFAOYSA-N 378.567 3.861 0 40 GHAB Cc1cc(CS(=O)(=O)c2nc(C)c(C)n2[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)no1 108068232 TWBMOZBCAQOWGF-NBOOPKSLSA-N 377.510 3.767 0 40 GHAB CCC(CC)c1nnc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)s1 26561119 HUOWLGUQAUSFRK-UHFFFAOYSA-N 385.493 3.640 0 40 GHAB O=C(COC(=O)c1cccc(F)c1)Nc1ncc(C(F)(F)F)cc1Cl 3269209 PDZLEYWGXCHUFX-UHFFFAOYSA-N 376.693 3.688 0 40 GHAB CC(C)[C@@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(C2CCCCC2)cc1 57463615 BPNIDODPKNXLBM-JOCHJYFZSA-N 383.536 3.619 0 40 GHAB COc1ccc(C)cc1NC(=O)Cn1c(-c2cccc(Cl)c2)nc(C)cc1=O 57526951 CUNHZJVQNKDFND-UHFFFAOYSA-N 397.862 3.828 0 40 GHAB CCOCC(=O)Nc1cc(C(=O)Nc2ccc(OCC)cc2)ccc1Cl 2069774 CXUIAWVFADTTJK-UHFFFAOYSA-N 376.840 3.966 0 40 GHAB CCOc1ccc(S(=O)(=O)NCCSCc2cccc(Cl)c2)cc1 2179495 GIFVNDYZHRYJBS-UHFFFAOYSA-N 385.938 3.950 0 40 GHAB Cc1csc(-c2ccc(C(=O)NCc3ccc(-n4cccn4)nc3)cc2)n1 58244241 LYMGFKKBLBCZRE-UHFFFAOYSA-N 375.457 3.629 0 40 GHAB O=C(c1ccc(-n2cnnn2)cc1)N1CCCC[C@H]1c1nc2ccccc2s1 12795801 FZFGUWRIGWQLTD-KRWDZBQOSA-N 390.472 3.639 0 40 GHAB Cc1ccc(C)c(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)c1 12766490 FFDFKBHCPDHLSU-UHFFFAOYSA-N 391.452 3.905 0 40 GHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1C[C@@H](C)C[C@@H](C)C1 2376562 UXOLHNJYWXVTEH-BETUJISGSA-N 391.899 3.914 0 40 GHAB CCOC(=O)CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN([C@@H](C)CC)C3 61969176 VMLRCNXEUADQCJ-ZDUSSCGKSA-N 387.476 3.856 0 40 GHAB Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3C)C2)n1 12950281 FCDPSQBJBWHTBS-NSHDSACASA-N 394.294 3.514 0 40 GHAB O=C(N[C@@H]1CCc2ccccc21)c1nn(-c2ccccc2)c(=O)c2ccccc12 12988162 HMKMEKUMVBTPBL-OAQYLSRUSA-N 381.435 3.803 0 40 GHAB CCOc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)O2)cc1OCC 3571543 QQNTUHWJJJFMLD-GZTJUZNOSA-N 397.427 3.846 0 40 GHAB O=C(COc1ccccc1)Nc1ccnn1Cc1ccccc1Br 13022573 GBQQKGPYYACAIX-UHFFFAOYSA-N 386.249 3.711 0 40 GHAB O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1cc(Cl)cc(Cl)c1 13024265 NOFCVDNSNCXQRZ-UHFFFAOYSA-N 396.299 3.717 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C)cc1 13042042 KDRDERQXUCPCQI-UHFFFAOYSA-N 389.395 3.840 0 40 GHAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc1CN1CCOCC1 49546180 LFCXJYSTEOQUPU-KRWDZBQOSA-N 398.507 3.603 0 40 GHAB CCOc1cc(CNCCC(C)C)ccc1Oc1nnnn1-c1ccccc1 13724549 GUEXVWBKMMEUFP-UHFFFAOYSA-N 381.480 3.989 0 40 GHAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C(C)(C)C)cc1OC 13788357 LVKVPHYLZUSUAY-UHFFFAOYSA-N 394.471 3.986 0 40 GHAB O=C([C@H]1CN(C(=O)Cc2ccc(Cl)cc2)c2ccccc2O1)N1CCCCC1 7825303 PMNSKDOQNIZGPG-HXUWFJFHSA-N 398.890 3.689 0 40 GHAB C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc2c(c1)CCCC2 7938515 JHLWAYSWJSEBOJ-ZDUSSCGKSA-N 378.394 3.623 0 40 GHAB Cc1nc2ccc(NC(=O)c3ccccn3)cc2c(=O)n1-c1ccc(Cl)cc1 22499932 KEVWZLIVYGESSC-UHFFFAOYSA-N 390.830 3.995 0 40 GHAB O=C1OCC[C@H]1Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl 5243769 INCBMTMIZYZUOA-MRXNPFEDSA-N 386.860 3.506 0 40 GHAB C[C@@H](NC(=O)N1CCC(n2cccc2)CC1)c1ccc(N2CCCC2=O)cc1 69726841 XNACXSYJDPCYDS-QGZVFWFLSA-N 380.492 3.723 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)c3[nH]c(C)c(C(C)=O)c3C)c(C)c2c1 4524715 LDEDLXAACAEVEN-UHFFFAOYSA-N 383.400 3.937 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2 4680317 HEKJORIOOVCLDH-TVGZPFHWSA-N 382.548 3.989 0 40 GHAB CCCCSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC(C)(C)OC3 5576398 WPPOXFOBUOXARZ-UHFFFAOYSA-N 388.522 3.633 0 40 GHAB O=C(Cc1ccsc1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 6602593 XNMQLODEQXDYLJ-UHFFFAOYSA-N 394.452 3.588 0 40 GHAB COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C(C)(C)C)cc1OC 4732535 ZEPJHOMSKCMHPE-UHFFFAOYSA-N 395.463 3.656 0 40 GHAB COc1ccc([C@@H](NC(=O)c2cnn(-c3ccccc3)n2)c2ccccc2)cc1 8231462 NXAUSXKPYIFFIR-QFIPXVFZSA-N 384.439 3.795 0 40 GHAB COc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(OC)c3)n2)c1 5721040 XPORTZIUVVOPMT-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)NCCC1=CCCCC1 5860359 LXINSDBHSIBAAB-UHFFFAOYSA-N 378.472 3.887 0 40 GHAB CC(C)(C)OC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F 4976143 FLLLDSXJNONWGP-UHFFFAOYSA-N 386.448 3.959 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)c1 4929834 DDMXNFZJCUGKIJ-SFHVURJKSA-N 379.416 3.731 0 40 GHAB CNC(=S)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 6949973 BVMXPESADWQSNR-UHFFFAOYSA-N 390.317 3.710 0 40 GHAB CC(C)C(=O)NC1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1 89775681 QMFLNCLIZGSJKR-UHFFFAOYSA-N 391.471 3.872 0 40 GHAB Cc1nc2cc(C(=O)NCCc3nccn3C(F)F)ccc2n1-c1ccccc1 89721642 WVDZPLRCHKYSCZ-UHFFFAOYSA-N 395.413 3.898 0 40 GHAB CNC(=O)c1cccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c1 9603829 OEZGRBDWEPQZEU-UHFFFAOYSA-N 382.851 3.505 0 40 GHAB CCNC(=O)NCCCOC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 89977480 KUSKVVFTPYZGPR-RAXLEYEMSA-N 378.778 3.538 0 40 GHAB CC(C)N(C(=O)CSc1nnc(NCCc2cccs2)s1)C(C)C 9387813 CDWPGHWDFIYASU-UHFFFAOYSA-N 384.596 3.992 0 40 GHAB Cc1nc2c3ccccc3nc(SCC(=O)Nc3ccc(Cl)cc3)n2n1 9420910 LIOPAKREXTVZHR-UHFFFAOYSA-N 383.864 3.970 0 40 GHAB CS(=O)(=O)c1ccc2c(c1)N(C(=O)C1(c3ccc(F)cc3)CCC1)CCC2 72280658 LADBVUVPHFREEE-UHFFFAOYSA-N 387.476 3.630 0 40 GHAB CC[C@@H](CO)N(CCCO[C@@H]1CCOC1)Cc1ccc(Cl)cc1Cl 72308526 JJASTCMBNUTBMJ-DLBZAZTESA-N 376.324 3.762 0 40 GHAB CCC(=O)N(C)c1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 72306836 KKQFGGOKAXZVPC-UHFFFAOYSA-N 385.895 3.675 0 40 GHAB C[C@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@@](C)=O)cc1 95421211 ALKRDWAKXJZOFO-WNLMNSNFSA-N 384.545 3.828 0 40 GHAB CCCN(C(=O)CCCNC(=O)C1CC1)[C@@H]1C[C@@H](OCC)C12CCCCC2 84750281 WBEPLPXODLHQCR-RTBURBONSA-N 378.557 3.659 0 40 GHAB O=C(Nc1ccccc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 27350016 LSCFYXMBQDBMNQ-UHFFFAOYSA-N 377.366 3.695 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ncc(Cc2ccccc2)s1 9910746 WRVFFTMDFGPASF-UHFFFAOYSA-N 386.498 3.536 0 40 GHAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 123302339 PKDGPYGLIZJWKF-NNSMILJXSA-N 376.537 3.994 0 40 GHAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCCN(C)c1ccccc1 219692342 TVYGCHUTZHDFDC-HNNXBMFYSA-N 391.309 3.859 0 40 GHAB O=C(Nc1ccccc1O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 33752600 PWHYCWFYWKYDMW-FQEVSTJZSA-N 386.407 3.931 0 40 GHAB O=C1CCCN1c1ccc(NS(=O)(=O)Cc2c(F)cccc2Cl)cc1 30849764 JXZYLKZGOOPYJS-UHFFFAOYSA-N 382.844 3.548 0 40 GHAB COc1ccccc1OCC(=O)N(CCc1ccccc1)Cc1ccccn1 62017911 MEEXQYDLDIRFQL-UHFFFAOYSA-N 376.456 3.741 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1Cl 225410196 QVEOPUGELCUXRS-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB COC(=O)c1ccc(CS(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223459158 QPFZZVUUECRQAR-MRXNPFEDSA-N 375.490 3.579 0 40 GHAB CCCCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225743579 YVPOASOSRWNMCG-UHFFFAOYSA-N 390.530 3.580 0 40 GHAB CSc1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222516020 XYNAVGLPSZQUMM-UHFFFAOYSA-N 384.910 3.710 0 40 GHAB COC(=O)c1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1C 225743187 LBLVKYFKKLEXMJ-UHFFFAOYSA-N 397.544 3.516 0 40 GHAB Cc1ccc(SCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 44883464 LAUDEMBTSLBDND-UHFFFAOYSA-N 398.937 3.542 0 40 GHAB COc1ccccc1N1CCN(CC(=O)Nc2cccc(Cl)c2Cl)C1=O 49026335 YSYGYQOQZDTCPL-UHFFFAOYSA-N 394.258 3.883 0 40 GHAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)Nc1sc(C(C)C)cc1C(N)=O 225757201 CMENHWNZDUNOFG-OXUXUCFPSA-N 390.505 3.602 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 223265030 ZGOKUGMZLXUWDX-CQSZACIVSA-N 394.924 3.546 0 40 GHAB CN(C(=O)Cn1ccc(=O)c2cc(Br)ccc21)c1ccc(F)cc1 225919475 LJMIWWJIVHQALQ-UHFFFAOYSA-N 389.224 3.566 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 223504719 JNBRGARYAJBHQB-HNNXBMFYSA-N 390.936 3.986 0 40 GHAB C[C@@H](NC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1)c1ccnc(O)c1 578318185 ZILRQKVHGPWJSD-CYBMUJFWSA-N 386.521 3.773 0 40 GHAB Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)no2)cc1 96105670 IATRVDRBKOZNBP-UHFFFAOYSA-N 382.851 3.661 0 40 GHAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)N3CCC(CO)CC3)c1O)OC2(C)C 257238998 HNMRFFHSPMIGPQ-ZTFGCOKTSA-N 387.520 3.928 0 40 GHAB CNc1nc(C2(C)CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)c2sccn12 257239712 HQLFIOVNLSMNNR-UHFFFAOYSA-N 394.504 3.508 0 40 GHAB Cc1cc(N2C(=O)N[C@](C)(CCF)C2=O)nn1-c1ccc(Cl)cc1Cl 656572795 ARXIVUSNMCBXER-MRXNPFEDSA-N 385.226 3.662 0 40 GHAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)N[C@@H]1CCO[C@H]1c1ccncc1 585123536 MMBQHIUSRZHERY-MSOLQXFVSA-N 398.463 3.920 0 40 GHAB COc1cccc([C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)N2CCCC2)c1 41816300 RUYHQQUFCMPLFU-VSKRKVRLSA-N 382.479 3.891 0 40 GHAB CCCn1ncc(CN2Cc3cc(C)ccc3OC3(CCN(C)CC3)C2)c1C 72394189 RGXJRYFFONHLTO-UHFFFAOYSA-N 382.552 3.769 0 40 GHAB O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1c[nH]nc1-c1ccc(Cl)s1 681745826 UDOYXDKZRKWIDU-SNVBAGLBSA-N 381.791 3.933 0 40 GHAB COCCN(Cc1ccccc1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 8073055 FQLJSORGASXPRA-BQYQJAHWSA-N 387.863 3.800 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1F 5092588 IMEVDSRFMICGCF-ACRUOGEOSA-N 388.398 3.877 0 40 GHAB O=C(Cc1n[nH]c(=O)c2ccccc12)O[C@@H](C(=O)c1ccccc1)c1ccccc1 5754458 YQWMEFGTVQBQLX-HSZRJFAPSA-N 398.418 3.633 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)NCC1(c2ccccc2)CCOCC1 16972144 KKEOMGUDAMKPNK-UHFFFAOYSA-N 379.909 3.508 0 40 GHAB S=c1[nH]c(S)nc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 19418258 IHWNEAVSOUASHK-UHFFFAOYSA-N 390.559 3.906 0 40 GHAB CCc1nc2nc(-c3ccc(NC(=O)c4cscn4)cc3)cn2nc1CC 19657310 SQRMVWUOTFSNGD-UHFFFAOYSA-N 378.461 3.625 0 40 GHAB Cc1cc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c2c(C)noc2n1 19715848 WXYDYVHBUVPABH-UHFFFAOYSA-N 394.475 3.957 0 40 GHAB Nc1ncnc2nc([C@H]3CCCN3C(=O)c3ccccc3)cc(C(F)(F)F)c12 19742960 ZINKSGIMPUDJPK-CQSZACIVSA-N 387.365 3.603 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860695 XFRNYHUGGAPXDM-MRXNPFEDSA-N 392.908 3.521 0 40 GHAB CC(C)(C)c1cc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)on1 253471667 DWXGGMQDZJBAIB-UHFFFAOYSA-N 379.844 3.831 0 40 GHAB O=C(c1cccnc1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1889024320 DVSIMVSQGVKZOB-UHFFFAOYSA-N 396.454 3.502 0 40 GHAB O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)N2CCCC2)c1 29263819 BFWYBXXXVXKWDX-UHFFFAOYSA-N 387.277 3.866 0 40 GHAB CCOc1ccccc1CN1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984346 YBTMQJRZUHJUPP-XMMPIXPASA-N 394.515 3.873 0 40 GHAB CC[C@H]1Oc2ccc(C(=O)n3nc(C)cc3C)cc2N(Cc2ccccc2)C1=O 1328654 LYGJVLBIVWZLPY-HXUWFJFHSA-N 389.455 3.893 0 40 GHAB CCOC(=O)c1c(NC(=O)CSc2nccn2C)sc2c1CCCCC2 2475759 SARJQOUQQUWSEH-UHFFFAOYSA-N 393.534 3.658 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)Nc1cccc(F)c1 4164104 RDIVPCDLJAWOQW-UHFFFAOYSA-N 379.420 3.661 0 40 GHAB O=C(CCC1CCCCC1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 4583282 BWKNKXSMOWHITL-UHFFFAOYSA-N 399.583 3.866 0 40 GHAB Nc1nc(SCc2ccccc2Cl)[nH]c(=O)c1NC(=O)c1ccccc1 5078386 KZJQEBYBFXYIBK-UHFFFAOYSA-N 386.864 3.550 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3)s2)cc1 9364129 VKQWBILWLVGDOT-UHFFFAOYSA-N 384.486 3.830 0 40 GHAB COc1ccc(CC(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc1OC 12636373 HAPYZTYJEBFXJT-UHFFFAOYSA-N 386.835 3.871 0 40 GHAB Cc1cc(-c2nnc(NC(=O)c3ccc(Oc4ccccc4)cc3)o2)n(C)n1 13614709 CHDFLMYBYFXRRQ-UHFFFAOYSA-N 375.388 3.823 0 40 GHAB O=c1c2c(cnn2-c2ccc(F)cc2)c(C2CC2)nn1Cc1cccc(F)c1 22768055 DJSSJRHJTPCNKK-UHFFFAOYSA-N 378.382 3.786 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1F 206682263 NIIYNQMZALYZHU-UHFFFAOYSA-N 396.443 3.682 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 640131 SQSPEJDJWQBEFL-UHFFFAOYSA-N 386.517 3.692 0 40 GHAB CCOC(=O)c1c(NC(=O)C2CC2)sc(Cc2ccc3c(c2)OCO3)c1C 4087306 FQAYCQKGXDAQSW-UHFFFAOYSA-N 387.457 3.901 0 40 GHAB O=C(NCC1(c2ccccc2)CCCCC1)[C@H]1CCCN1C(=O)c1ccco1 40082650 CBWQXMWJKPSWID-LJQANCHMSA-N 380.488 3.903 0 40 GHAB Cc1cccc([C@@H](CNC(=O)[C@H](C)SCc2ccccc2)N2CCOCC2)c1 40142097 PUEQCTSQXLQKCN-SIKLNZKXSA-N 398.572 3.806 0 40 GHAB Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)N(C)Cc1ccc(F)cc1 24765352 AWHGLIGXYWTCFX-UHFFFAOYSA-N 380.419 3.806 0 40 GHAB COc1ccc(-c2cc(NC(=O)C3=COCCO3)ccc2OC(F)F)cc1 24831783 MVJYOWYLFSBLJZ-UHFFFAOYSA-N 377.343 3.790 0 40 GHAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O 3244839 NDYBMTFOKQRHJF-UHFFFAOYSA-N 381.432 3.528 0 40 GHAB Cc1c(C(=O)Nc2ccc(C(N)=O)cc2)cnn1-c1ccccc1C(F)(F)F 24977757 YVZXMQVFKPOEFP-UHFFFAOYSA-N 388.349 3.551 0 40 GHAB O=C(CSc1nnc(COc2ccc(F)cc2)o1)Nc1ccc(F)cc1 875959 BFDAWSCMSGTGDT-UHFFFAOYSA-N 377.372 3.658 0 40 GHAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(C)cs4)n3c2c1 877135 ASWNDHAEUKEQFS-UHFFFAOYSA-N 383.502 3.995 0 40 GHAB O=C(O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccccc1 916352 OCFVNYKEMMAMMQ-UHFFFAOYSA-N 389.864 3.736 0 40 GHAB Cc1ccc(S(=O)(=O)c2cc(N3CCCC3)nc(-c3ccccc3)n2)cc1 1402054 LRIWECIZVYCQCA-UHFFFAOYSA-N 379.485 3.885 0 40 GHAB Cc1ccc(S(=O)(=O)N(Cc2ccco2)c2cccc(F)c2)cc1C(=O)O 55621732 VXBVXTMHZJMMBP-UHFFFAOYSA-N 389.404 3.821 0 40 GHAB O=C(c1ccc(Cl)cc1NCCn1c(=O)oc2ccccc21)N1CCCCC1 55851755 QBCQFSMCVLMGOP-UHFFFAOYSA-N 399.878 3.986 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(CO)(c5ccccc54)[C@@H]3C2=O)cc1 3115801 SJTACUOCVVLQIB-VUUXHMSQSA-N 395.458 3.538 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C)CCc3ccccc3)n2)cc1C 57427492 DVHXZXLLEFFDLI-LJQANCHMSA-N 389.499 3.665 0 40 GHAB CC(C)(C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 6767063 DZDYHAFSPGDUTC-UHFFFAOYSA-N 392.908 3.620 0 40 GHAB COc1ccccc1C(=O)COC(=O)c1ccc(OCc2c(C)noc2C)cc1 7987739 ALEJVTKDQKKOQZ-UHFFFAOYSA-N 395.411 3.919 0 40 GHAB COCc1nn2c(O)cc(Cc3ccccc3OC)nc2c1-c1ccccc1 100776117 QROIUUAFFMXJEM-UHFFFAOYSA-N 375.428 3.848 0 40 GHAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccc(F)cc1 1972570 LZDBIIHCPZVMBZ-UHFFFAOYSA-N 377.371 3.852 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c1 8726566 CGAJJDRTVWVLJQ-UHFFFAOYSA-N 395.503 3.835 0 40 GHAB Cc1ccc(NC(=O)C2CCN(Cc3ccc(F)c4cccnc34)CC2)nc1 58183740 RTEJYSWCOAVGMG-UHFFFAOYSA-N 378.451 3.928 0 40 GHAB C[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1nc(-c2ccccc2)c[nH]1 58161767 LAUOOYAAWLVQRB-APWZRJJASA-N 393.491 3.867 0 40 GHAB COc1ccc([C@H](CNC(=O)COc2cccc(Cl)c2)N2CCCC2)cc1 27744213 XWHYAGLMYUDEEM-FQEVSTJZSA-N 388.895 3.681 0 40 GHAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C 10354111 ULATUTQDKOSFLU-OAHLLOKOSA-N 395.246 3.899 0 40 GHAB CC(C)[C@@H](NC(=O)CN1CCc2ccccc2C1)c1ccc2c(c1)OCCCO2 36389816 XGQHUIUYTGQTOO-XMMPIXPASA-N 394.515 3.720 0 40 GHAB COC(=O)CSc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3 2336896 LBBFKRWTBPUVCL-UHFFFAOYSA-N 388.518 3.638 0 40 GHAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cc(OC)ccc1OC 2366427 HZNJMBPNMDULHZ-HRFSGMKKSA-N 393.420 3.791 0 40 GHAB C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)N[C@H]1CCc2ccccc21 45305376 SIKQPGYHCKOGFM-XXBNENTESA-N 392.547 3.574 0 40 GHAB COc1ccc(OC[C@@H](O)CN(Cc2ccc(F)cc2)Cc2ccco2)cc1 28580906 CCJMMUIWDDVQHQ-IBGZPJMESA-N 385.435 3.869 0 40 GHAB COc1ccc(OCCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12773269 NKOQAHYUAJNWGZ-HXUWFJFHSA-N 397.471 3.989 0 40 GHAB CCCC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1C 60091273 HDHPJTNGUWNWMH-OAHLLOKOSA-N 397.475 3.944 0 40 GHAB O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1cc2ccccc2oc1=O 27663935 OQUSWLVUQMEUEH-KRWDZBQOSA-N 382.485 3.812 0 40 GHAB CCc1ccc(OCc2ccc(C(=O)Nn3c(C)cc(C)cc3=O)cc2)cc1 2791612 KHACBENVMHTKPF-UHFFFAOYSA-N 376.456 3.990 0 40 GHAB CN(Cc1cccc(F)c1)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12765849 HVZAVLZAOGYMHX-UHFFFAOYSA-N 399.491 3.525 0 40 GHAB COc1ccc2c(-c3ccccc3)cc(SCCN3C(=O)CNC3=O)nc2c1 12540049 PYQBNZNBTPWYLY-UHFFFAOYSA-N 393.468 3.554 0 40 GHAB O=C(CN(Cc1ccco1)C1CCCC1)Nc1ccccc1C(=O)NC1CC1 48369041 CRBQLVYCLKPMNM-UHFFFAOYSA-N 381.476 3.555 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c1 12863377 VMQZFDPAEMQAQV-QGZVFWFLSA-N 393.462 3.954 0 40 GHAB Cc1nc2cc(C(=O)OCC(=O)N3CCC(C)CC3)ccc2n1-c1ccccc1 3475247 NJNSYIDOOCYBBX-UHFFFAOYSA-N 391.471 3.749 0 40 GHAB CCSc1ccccc1NC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O 20451487 KPVWTOSMUJFCPM-QGZVFWFLSA-N 392.546 3.982 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)N2CCC2)nc2cc(Cl)ccc2c1=O 12920781 RVOGLGFVTLPAGA-UHFFFAOYSA-N 399.903 3.672 0 40 GHAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(N2CCOCC2)nc1 12901622 YVATYUYZQMKWMZ-UHFFFAOYSA-N 377.444 3.750 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)NC2CC2)cc1 12910784 ZCJQXJIHRZKZMI-UHFFFAOYSA-N 379.243 3.903 0 40 GHAB CC(C)(C)c1ccc(OCCSc2nnc(SCC(N)=O)s2)cc1 12900321 PBXBTHJGGAWIFV-UHFFFAOYSA-N 383.564 3.584 0 40 GHAB CN1CCN(Cc2ccsc2)C[C@H]1c1ncn2cc(-c3cccnc3)ccc12 306140214 UNBQRJSZCIPSFF-NRFANRHFSA-N 389.528 3.947 0 40 GHAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 6060635 WFGWVEDPFHZRMZ-UHFFFAOYSA-N 382.199 3.576 0 40 GHAB Cc1ccc(-c2cc(NC(=O)CSc3nnc(-c4cccnc4)o3)on2)cc1 5144027 PIXARNDIBXGCGK-UHFFFAOYSA-N 393.428 3.826 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2 4327833 XWXCMSMVSPVRLO-UHFFFAOYSA-N 398.846 3.980 0 40 GHAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)oc3cc(C)c(C)cc23)C1=O 4305924 PUAIFFZKWXGDJN-HSZRJFAPSA-N 390.439 3.767 0 40 GHAB COc1ccc(C(=O)N[C@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)C(C)C)cc1 6200838 SHNQLOLURWAQSM-MHZGPWMTSA-N 398.547 3.782 0 40 GHAB CCc1nnc2sc(-c3ccc(CNC(=O)c4ccccc4C)cc3)nn12 13954816 FSAQLGWUXBPWLN-UHFFFAOYSA-N 377.473 3.654 0 40 GHAB O=C(COCC(=O)N1CCCCCC1)Nc1ccc(Oc2ccccc2)cc1 13942232 CNIJJPLTHATYPC-UHFFFAOYSA-N 382.460 3.837 0 40 GHAB COCCN(CC(=O)c1c[nH]c2ccccc12)Cc1nnc(-c2cccs2)o1 14070089 OOWPQLXOULDWGD-UHFFFAOYSA-N 396.472 3.611 0 40 GHAB C[C@H](Sc1nnnn1C1CC1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 9593768 JEOVTBMPPNKJTR-JTQLQIEISA-N 396.501 3.826 0 40 GHAB Cc1c2cnn(CN3CCC(CCc4ccccc4)CC3)c(=O)c2c(C)n1C 14198141 AJONXSAEMVPHAQ-UHFFFAOYSA-N 378.520 3.654 0 40 GHAB O=C(COC(=O)COc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 5459391 YVXGSMRGEKWPQG-UHFFFAOYSA-N 387.741 3.920 0 40 GHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCc1nc2ccccc2s1 6582636 NWYWKBKKRMNSLR-UHFFFAOYSA-N 384.501 3.672 0 40 GHAB CC[C@H]1CCc2sc(-c3nnc(SCC(=O)NCC(C)C)n3C)cc2C1 5776300 PXLLNSUEXHHLMW-ZDUSSCGKSA-N 392.594 3.923 0 40 GHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CCc2ccccc2C1 4890274 SCOXUBIPHWGOCM-UHFFFAOYSA-N 390.512 3.822 0 40 GHAB O=C(CCNC(=O)c1ccco1)Nc1nc(-c2ccc3c(c2)CCC3)cs1 6881626 ASTNBLZIPGBFST-UHFFFAOYSA-N 381.457 3.650 0 40 GHAB Cc1ccc(Cl)cc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 4995383 MCWAERFQMXSKEH-UHFFFAOYSA-N 394.924 3.758 0 40 GHAB Cc1cc(OCC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc(C)c1Cl 15831650 DSABAEXWOPZUJZ-KRWDZBQOSA-N 376.884 3.882 0 40 GHAB COc1ccc(OCCn2c([C@@H](C)N3CCOCC3)nc3ccccc32)cc1 21523496 MHVKZCPIBJDPED-QGZVFWFLSA-N 381.476 3.517 0 40 GHAB CCN(CC)C(=O)[C@H](Sc1nnnn1-c1ccc(C)cc1C)c1ccccc1 7912649 VBAJSZXOTLNPDQ-LJQANCHMSA-N 395.532 3.981 0 40 GHAB COCCn1c(SC[C@H](O)c2ccccc2)nc2sc(C)c(C)c2c1=O 8709284 ARJRYWIAURSTBL-HNNXBMFYSA-N 390.530 3.547 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2cccc(Cl)c2)nn1C 72404020 GWZHBNADLHXWTH-UHFFFAOYSA-N 398.850 3.960 0 40 GHAB Cn1ncc(Br)c1-c1nn2c(-c3ccccc3Cl)nnc2s1 72400454 NMUKEBHLIBETIP-UHFFFAOYSA-N 395.673 3.669 0 40 GHAB NC(=O)[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1 9218130 RCGYLZVMDWUBFW-QGZVFWFLSA-N 376.441 3.846 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cc(C)ccc2C)cc1 9237394 QHOQDPAKSSUXJK-OALUTQOASA-N 393.516 3.910 0 40 GHAB O=C(C[C@]1(O)C(=O)N(Cc2cccs2)c2ccccc21)c1ccc(F)cc1 9925984 UJKNXOGAFRDETA-OAQYLSRUSA-N 381.428 3.895 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)N3CCc4[nH]c5ccccc5c4C3)ccc12 9900130 OAJIWAGBYFOLNI-UHFFFAOYSA-N 388.423 3.546 0 40 GHAB biogenic CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(O)cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409095088 HDSSESSODVCZIL-RVZJWNSFSA-N 384.398 3.917 0 40 GHAB O=C(Nc1ccccc1-c1ccccc1)[C@H]1COCC(=O)N1Cc1ccccc1 70641428 LXCDHTUKPGSIJP-JOCHJYFZSA-N 386.451 3.720 0 40 GHAB Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4sccc4C)C[C@H]32)cs1 306137340 QTQIYUJCZZTEEP-QZTJIDSGSA-N 398.557 3.704 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccccc1Cl 21362029 QOQGHAJJKJEISK-UHFFFAOYSA-N 377.824 3.715 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccccc1 20634748 BKGSDNFWHOJGLJ-GOSISDBHSA-N 378.428 3.515 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 20111230 XQQSFZCCVLDHKQ-HUUCEWRRSA-N 375.490 3.768 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 30322368 HESBIEMIZNFZEC-QGZVFWFLSA-N 381.881 3.883 0 40 GHAB O=C1C[C@H](N2CCc3c([nH]c4ccc(Cl)cc34)C2)C(=O)N1Cc1ccccc1 30904037 BWDDCUUGNHOPHA-FQEVSTJZSA-N 393.874 3.507 0 40 GHAB C[C@H](C(=O)N1CCc2ccccc21)n1nnc(-c2cccc(C(F)(F)F)c2)n1 36803684 OCKUZYNNEVSPJO-GFCCVEGCSA-N 387.365 3.509 0 40 GHAB C[C@H](NS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)(C)C)c1ccccc1 217475826 BDNCUNWHYBRMNE-ZDUSSCGKSA-N 376.478 3.635 0 40 GHAB CNc1nc([C@H]2CCCCN2C(=O)CCC2CCCC2)nc2c1CN(C)CC2 72372193 RHJCAXOEBPXZHD-LJQANCHMSA-N 385.556 3.530 0 40 GHAB Ic1ccccc1OCc1nc(-c2ccsc2)no1 31657296 XBLBHZNLLNIPGC-UHFFFAOYSA-N 384.198 3.982 0 40 GHAB Cc1cc(C)cc(-n2cc(C(=O)NCc3ccc(Br)cc3)nn2)c1 71326409 KGDGXDJJWFYARB-UHFFFAOYSA-N 385.265 3.577 0 40 GHAB COC(=O)N1CCC(CNC(=O)NC(c2ccccc2)c2ccccc2)CC1 43982961 XQGDJQWTYBXQGR-UHFFFAOYSA-N 381.476 3.554 0 40 GHAB Cc1ccc(OCCNC(=O)c2ccc(I)cc2)cc1C 223459919 HOBBOAIKDCKCIT-UHFFFAOYSA-N 395.240 3.717 0 40 GHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 223289094 DRLCVYZRBBNDIO-WOJBJXKFSA-N 383.565 3.532 0 40 GHAB Cc1cccc(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)c2ccccc2)c1 223463205 UIIHMRLHGSEFPP-UHFFFAOYSA-N 398.528 3.807 0 40 GHAB Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225470509 DZPAHQHYRWYEMT-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1 224941316 CHDHASNAUIDSSX-QFIPXVFZSA-N 396.531 3.688 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C)c(C)c2)cc1 225142321 BZMYQVORIKEIGX-UHFFFAOYSA-N 388.533 3.905 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C 225144351 ZIJQRZMAVPVMKE-UHFFFAOYSA-N 392.502 3.762 0 40 GHAB COc1ccc(CCCNC(=O)c2cccc(I)c2)cc1 224964411 FOQJHGMMDWCEFS-UHFFFAOYSA-N 395.240 3.662 0 40 GHAB CCN(CCNC(=O)c1cccc(I)c1)c1ccccc1 224967036 VQOGQROTWFBXHX-UHFFFAOYSA-N 394.256 3.548 0 40 GHAB CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220572109 CQGPREVDFWWXMZ-GOSISDBHSA-N 396.459 3.765 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2nc3n(n2)[C@H](c2ccccc2)C=C(C)N3)cc1 96101664 FMMZRCJHNTUJJM-QHSLDKKCSA-N 387.443 3.857 0 40 GHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 95482569 MCSCUAWXBHXCQI-HSZRJFAPSA-N 396.531 3.942 0 40 GHAB CNC(=O)C[C@H]1CC2(CCN(C(=O)c3cccc(F)c3)CC2)c2ccccc21 96241898 SCSGHUAZEWJBDX-KRWDZBQOSA-N 380.463 3.623 0 40 GHAB COc1ccccc1CC(=O)NC[C@H]1CC[C@H]([C@@H](c2ccccn2)N(C)C)CC1 257330256 XNPUCJFAWGCFNP-JXQFQVJHSA-N 395.547 3.858 0 40 GHAB COc1cccc(Oc2cc(C)nc([C@H]3CCCN(C(=O)c4ccno4)C3)n2)c1 257303634 SIADOVLPWHDBHI-HNNXBMFYSA-N 394.431 3.594 0 40 GHAB COC1(c2nc(-c3cn([C@H](C)c4ccccc4F)nn3)cs2)CCOCC1 606446012 PPBDJCFYSWTGAR-CYBMUJFWSA-N 388.468 3.802 0 40 GHAB CCN(C(=O)c1ccc2c(c1)nc(O)n2C1CC1)[C@H](C)[C@@H](O)c1ccccc1 854562877 ISGTVRHNGDQKKP-JLTOFOAXSA-N 379.460 3.661 0 40 GHAB CC[C@@H](Nc1nc(N(C)C)cc(C(F)(F)F)n1)[C@H](O)c1c(F)cccc1F 72302502 LLXGUGGULLSWHV-ABAIWWIYSA-N 390.356 3.764 0 40 GHAB C[C@@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1Cl 57460508 MFPCXKGNEOPWDG-GFCCVEGCSA-N 390.274 3.863 0 40 GHAB COC(=O)N1CCCN([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 89913783 RSVINHXHAGMIQC-NSHDSACASA-N 399.278 3.879 0 40 GHAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 7071539 FWKTWEUHYHKEBK-BVTUPMQUSA-N 377.462 3.852 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)/C=C/c1ccc2ccccc2n1 6121360 HUYLTJHFDAVHOM-BUHFOSPRSA-N 376.412 3.829 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775978944 WERRLMKPPBKXDG-QGZVFWFLSA-N 391.489 3.875 0 40 GHAB CCS(=O)(=O)N1CCCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21 11025644 VMVAORYIRAQQLY-UHFFFAOYSA-N 396.871 3.834 0 40 GHAB COc1ccc2cc(COC(=O)CNC(=O)c3ccc(C)cc3)c(Cl)nc2c1 11516196 DZECASKWNBFASG-UHFFFAOYSA-N 398.846 3.678 0 40 GHAB CCc1ccc(OC)c(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c1 11613735 ZSGUGEYHQIHLDX-UHFFFAOYSA-N 385.869 3.729 0 40 GHAB COc1cccc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c1 12238714 JVGFAFVHKZMDEA-FQEVSTJZSA-N 388.471 3.991 0 40 GHAB CCOCc1cc(CN2CCC(O)(c3ccccc3OC)CC2)ccc1OC 12328372 YVOMZFQVCVBEAI-UHFFFAOYSA-N 385.504 3.724 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NC(=O)c2ccco2)cc1 12790589 AVILGMKCAGZBIU-UHFFFAOYSA-N 378.384 3.533 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)c2csc(-c3ccc(F)cc3)n2)c1C 12925629 QEHIUDRVYARNKN-UHFFFAOYSA-N 383.448 3.935 0 40 GHAB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1 14091711 YMYANFNUQOJFKJ-UHFFFAOYSA-N 382.489 3.628 0 40 GHAB Cc1cn2c(=O)c(C(=O)Nc3cccc(CN4CCC(C)CC4)c3)cnc2s1 19717071 BSTGMLIHNSKTPM-UHFFFAOYSA-N 396.516 3.549 0 40 GHAB Cc1nn(C)cc1-c1cc(C(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)n[nH]1 19718742 CWNOMJWGWPWXSX-HNNXBMFYSA-N 392.507 3.745 0 40 GHAB CC1(C(=O)NCc2ccc(C(=O)N=c3cc[nH]cc3)cc2)CCC(F)(F)CC1 528272702 OWDQVZHOEPSCRJ-UHFFFAOYSA-N 387.430 3.588 0 40 GHAB COc1cccc(CN2CCC(COc3ncc(Br)cn3)CC2)c1 1888869580 CZUBARHRXYKCQJ-UHFFFAOYSA-N 392.297 3.539 0 40 GHAB COc1ccc(CC(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1C 1888913423 XKSSJOKRJCGZJV-UHFFFAOYSA-N 375.472 3.896 0 40 GHAB O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CCC(F)(F)CC1 1889101102 ICXGIQUYJSWNBA-UHFFFAOYSA-N 377.357 3.575 0 40 GHAB C[C@H](NC(=O)CN1CCN(Cc2cccs2)CC1)c1cccc2ccccc12 22792864 OMQOINSTXZUKBG-SFHVURJKSA-N 393.556 3.896 0 40 GHAB FC(F)(F)c1ccc(N2CCCN(c3ncnc4sccc34)CC2)nc1 23873265 PJXCWOWJDNUTFG-UHFFFAOYSA-N 379.411 3.822 0 40 GHAB O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ccccc1O 24109356 MXOPJQKLKBWSOF-INIZCTEOSA-N 382.363 3.781 0 40 GHAB C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)N3CCC(O)CC3)ccc2O1 2037874932 FIBOWBHDNVSTTC-HSZRJFAPSA-N 399.918 3.802 0 40 GHAB COc1ccc(S(=O)(=O)N2CCN=C2S[C@H](C)c2ccccc2)cc1 2711467 NMHXSYJXUQRJMU-CQSZACIVSA-N 376.503 3.550 0 40 GHAB CCCCOc1ccc(C(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)cc1 4032848 MLKYVBBSYUEJLV-UHFFFAOYSA-N 378.472 3.988 0 40 GHAB Cc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)cc1 4164074 FZRUHBRQSADOBA-UHFFFAOYSA-N 375.457 3.831 0 40 GHAB COCCNC(=O)CSc1nc(-c2ccccc2)[nH]c1-c1ccc(OC)cc1 4927818 YNMRZTIROZWZKC-UHFFFAOYSA-N 397.500 3.607 0 40 GHAB CN(C)CCN(C(=O)CCc1ccccc1)c1nc2cc3c(cc2s1)OCO3 5121462 CTGBOHWMPPYLTL-UHFFFAOYSA-N 397.500 3.552 0 40 GHAB CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)c2c1 21158500 XGYCKEPIXGTCGY-UHFFFAOYSA-N 396.512 3.775 0 40 GHAB Cc1ccccc1NC(=O)[C@@H](C)SC1=Nc2ccccc2C2=N[C@@H](C)C(=O)N12 21935657 MOCDTCRIANAOHI-UONOGXRCSA-N 392.484 3.734 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)c1ccc(C(F)(F)F)nc1 1775966981 ADDYAVYOSIIGPW-NSHDSACASA-N 382.363 3.885 0 40 GHAB Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC[C@H](C)C3)c(O)n2n1 36066077 PWIDUHAKVSKNCP-ZUZCIYMTSA-N 378.448 3.904 0 40 GHAB COc1ccccc1-c1cc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)no1 40087364 LXXFVVQYAYKXFA-UHFFFAOYSA-N 393.443 3.644 0 40 GHAB O=C(O)C1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 40267711 VEGZZEUHQDJRRG-UHFFFAOYSA-N 399.299 3.983 0 40 GHAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Cn2ccnc2)cc1 30941626 YPQFRNBZYZHKCV-UHFFFAOYSA-N 388.471 3.810 0 40 GHAB COc1ccc([C@H](CNC(=O)c2c(C)nn(CC(C)C)c2Cl)N(C)C)cc1 20931721 RQUHOIIVVDBJDI-KRWDZBQOSA-N 392.931 3.542 0 40 GHAB C[C@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1cccc2ncccc12 21641783 WJKYRUPEOBOBGB-ZDUSSCGKSA-N 396.520 3.707 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(F)c3cccnc23)cc1 52715195 AACZXJAFSYDGHF-HXUWFJFHSA-N 379.435 3.986 0 40 GHAB C[C@H]1CN(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](C)O1 21821843 PEQKEESESBRKII-UWVGGRQHSA-N 384.320 3.772 0 40 GHAB Cc1noc(C)c1COc1ccc(CC(=O)NCCCN2CCC(C)CC2)cc1 21903709 KKIZXDSLQKSEQV-UHFFFAOYSA-N 399.535 3.651 0 40 GHAB CCOC(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1 655803 HWBZUFQMQSTCAP-UHFFFAOYSA-N 381.354 3.595 0 40 GHAB COc1ccc(NCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 33691885 CGFHUGJISRAMMJ-MFOYZWKCSA-N 384.413 3.530 0 40 GHAB CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 23043081 WFKJSXFBNIZPCQ-INIZCTEOSA-N 392.546 3.658 0 40 GHAB COc1ccccc1[C@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)N(C)C 23178519 DGXAQOINOKOXGC-SFHVURJKSA-N 390.911 3.925 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3C)C2)cc1 791887 RYGHYSRWKNGUIK-GOSISDBHSA-N 386.517 3.651 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1OC 1470565 FALYYVFNMGKNSV-WOJGMQOQSA-N 383.425 3.623 0 40 GHAB COc1cc([C@@H]2C[C@@](C)(OC)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 1591358 DSHYVNYWJOQSQQ-QKKBWIMNSA-N 388.416 3.718 0 40 GHAB COc1cc(/C=C/Cc2cc3c(cc2OC(C)=O)OCO3)cc(OC)c1OC 1611529 JDCZYMJXYZDTQV-AATRIKPKSA-N 386.400 3.622 0 40 GHAB Cc1nn(C)c2ncc(C(=O)NC(=S)Nc3ccccc3Cl)c(Cl)c12 2380506 SJBZPSDTSLFIAY-UHFFFAOYSA-N 394.287 3.710 0 40 GHAB O=C(NCC1CCCCC1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 2623963 KLWCKSVSSMYLCA-UHFFFAOYSA-N 375.472 3.755 0 40 GHAB CCOC(=O)c1c(NC(=S)NC(=O)N(C)C)sc(C)c1-c1cccs1 2648405 COPKMOGEKAMRRS-UHFFFAOYSA-N 397.547 3.930 0 40 GHAB CCCCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 3227142 APXXZIJRPIEELY-UHFFFAOYSA-N 379.460 3.916 0 40 GHAB O=C(CCNC(=O)c1ccccc1Cl)Nc1nc2ccc(F)cc2s1 3352464 HTKDDTNNLCGMBH-UHFFFAOYSA-N 377.828 3.847 0 40 GHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)C(C)(C)C)cc3C2=O)c1 3517291 NWEIJNXLBRRVRC-UHFFFAOYSA-N 393.439 3.876 0 40 GHAB COc1cc(Cl)c(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1OC 3662693 MYYRNOWSXUDAGB-ZSOIEALJSA-N 380.897 3.748 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 4741078 PJGMXEOUDFFRJK-UHFFFAOYSA-N 392.908 3.837 0 40 GHAB CCc1ccc(NC(=S)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 4857579 DQQUSFHJFXVXSG-UHFFFAOYSA-N 385.508 3.979 0 40 GHAB Cc1ccc2nc(COC(=O)c3ncc(Cl)c(Cl)c3Cl)cc(=O)n2c1 5191488 IXQMFGHGQMOCAE-UHFFFAOYSA-N 398.633 3.715 0 40 GHAB C[C@H]1CCN(C(=O)COC(=O)c2ccc(N(C)C)cc2)c2ccccc2S1 5403559 ARAKXWYWLNTDMW-HNNXBMFYSA-N 384.501 3.827 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1 6307578 IUEUXUSRJBXLGH-UHFFFAOYSA-N 380.444 3.898 0 40 GHAB COC(=O)CCCC(=O)C1=Nc2ccccc2CN(c2ccc(Cl)cc2)N1 6379227 FXXRJHCLWCDREF-UHFFFAOYSA-N 385.851 3.807 0 40 GHAB O=C(Cc1ccccc1F)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 6551775 CZIARVOUOFRNPU-UHFFFAOYSA-N 392.386 3.988 0 40 GHAB CCCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCc3cccnc3)c12 6658933 JUCDXEKMZYKXGG-INIZCTEOSA-N 394.471 3.923 0 40 GHAB Cc1cc2c(cc1Br)C(=O)[C@](CO)(Sc1ccccc1)CO2 6787672 ZGWKTAFNKRATAA-QGZVFWFLSA-N 379.275 3.856 0 40 GHAB COc1ccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)cc1 6840684 HQZMPDVKBPJGRY-UHFFFAOYSA-N 383.473 3.754 0 40 GHAB CN(C(=S)NC(=O)C(C)(C)C)c1ccccc1C(=O)NC1CCCCC1 6857283 ADAQTMLCWQNFDD-UHFFFAOYSA-N 375.538 3.633 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)N3CCC(c4ccccc4)=N3)n2C)c1 6945745 WMBOUBOKMNLPLA-UHFFFAOYSA-N 391.500 3.519 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(I)c(C)n2)c(C)c1 6964968 CRQCXHJXXFKILF-UHFFFAOYSA-N 396.228 3.629 0 40 GHAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 7051020 FCNORFRZSYSAID-UHFFFAOYSA-N 393.530 3.939 0 40 GHAB CCc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1F 7939748 JROWMXPRYMPKEH-UHFFFAOYSA-N 380.213 3.946 0 40 GHAB COc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)c(OC)c1 8217728 FLWOGIRAZOCLDB-ZDUSSCGKSA-N 388.851 3.657 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N(Cc3ccccc3)C(C)C)ccc21 8600686 XKRKLKFQUFRJGH-UHFFFAOYSA-N 386.517 3.585 0 40 GHAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N2CCOCC2)cc1 8733885 NNQKAPBMXZQLKO-UHFFFAOYSA-N 382.435 3.774 0 40 GHAB CC1(C)OC(=O)C2(Cc3ccccc3N3CC[C@@H](c4ccccc4)C[C@H]32)C(=O)O1 8753593 FFKMTTGOGWVVPB-XLIONFOSSA-N 391.467 3.818 0 40 GHAB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)cc1 8937243 ITKGBEFLTAETHU-UHFFFAOYSA-N 384.457 3.726 0 40 GHAB CCOC(=O)c1c(C)oc2ncn(Cc3cccc(C(F)(F)F)c3)c(=O)c12 8980752 FBNCRGDUYYFIEG-UHFFFAOYSA-N 380.322 3.542 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccccc3C)CC2)c1 9062912 GMLXFBKAJGWEAW-UHFFFAOYSA-N 380.488 3.941 0 40 GHAB O=C(CCc1nc(-c2ccncc2)no1)NCCc1c[nH]c2ccc(Cl)cc12 9419202 JZFOJVPKQCIBKW-UHFFFAOYSA-N 395.850 3.558 0 40 GHAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N1CCc2ccccc21 9663228 OZNQUCDPQPUKSK-INIZCTEOSA-N 392.528 3.959 0 40 GHAB Cc1ccc(NC(=O)c2cccc(F)c2)cc1S(=O)(=O)N1CCCCCC1 9909782 WGDNCVYNMISFNQ-UHFFFAOYSA-N 390.480 3.951 0 40 GHAB COC(=O)c1sccc1NC(=O)CSc1ccc(C(F)(F)F)cn1 10348378 VAVQOZKVCPVUKP-UHFFFAOYSA-N 376.381 3.679 0 40 GHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc2ccccc2c1 10702901 KZGWUHHLTNWQOA-UHFFFAOYSA-N 389.455 3.899 0 40 GHAB COc1cc(Cl)c(NCC(=O)N2CCSc3ccccc32)cc1OC 11101408 YCLNLUWHMUDPCN-UHFFFAOYSA-N 378.881 3.908 0 40 GHAB O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(CN2CCCCC2)cc1 11532321 RBHONDDLMPXFBL-UHFFFAOYSA-N 388.515 3.831 0 40 GHAB COc1ccc(C2=NO[C@@H](C(=O)N3CCCCC[C@H]3c3cc(C)no3)C2)cc1 12119665 IGVJRLSACFZLIY-AZUAARDMSA-N 383.448 3.629 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(-n2nc(C)cc2Cl)cc1 12446104 AAZLOMGRUFFGPC-UHFFFAOYSA-N 395.843 3.783 0 40 GHAB COC(=O)C1=C(C)N(c2ccccc2OC)C(=S)N[C@@H]1c1ccccc1C 12554395 SPDMFQZMWVEYSV-LJQANCHMSA-N 382.485 3.886 0 40 GHAB O=C(c1ccco1)N1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1 12740515 COTIMLFPCSTMFK-UHFFFAOYSA-N 390.468 3.914 0 40 GHAB COC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 12747849 GEJZSKTVUVRGGK-UHFFFAOYSA-N 377.356 3.830 0 40 GHAB Cc1noc(C)c1CC(=O)OCC(=O)c1cc(C)n(Cc2ccccc2)c1C 12762126 ADPCHFPRZDSEPV-UHFFFAOYSA-N 380.444 3.727 0 40 GHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCC2)cc1OC 12802269 IEKBVHMRNUFTOQ-UHFFFAOYSA-N 377.444 3.793 0 40 GHAB O=C1COc2cc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)ccc2N1 12822151 QKXMBNLTESZNFV-UHFFFAOYSA-N 390.424 3.646 0 40 GHAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)Cc1ccc2ccccc2c1 12886585 HBVOVMPILVXVEP-UHFFFAOYSA-N 376.456 3.878 0 40 GHAB COc1cc(CCC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc(OC)c1 12909018 WQJJRKUVLUHREI-UHFFFAOYSA-N 399.472 3.843 0 40 GHAB Cc1ccc(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 13059578 XJSUTYUNTHWIJO-GOSISDBHSA-N 389.499 3.896 0 40 GHAB O=S(=O)(Nc1ccn(Cc2ccccc2Cl)n1)c1cccc2cccnc12 14225687 DWVOXLNAXWJYOT-UHFFFAOYSA-N 398.875 3.934 0 40 GHAB Cc1cc(C)c(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)c(Cl)c1 17735623 OOAFYQLKLKQQEF-UHFFFAOYSA-N 376.243 3.959 0 40 GHAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 18074898 DINODFRDOHSZLD-AWEZNQCLSA-N 378.266 3.720 0 40 GHAB O=C(CCc1ccccc1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19370688 UCLRKVVXAIGWPH-UHFFFAOYSA-N 393.512 3.837 0 40 GHAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1nc2ccccc2s1)c1ccc(F)cc1 19459831 ISXUCMPZCWUOIO-PXAZEXFGSA-N 385.464 3.880 0 40 GHAB CCc1oc(C(=O)N(C)C[C@@H]2OCCc3ccccc32)cc1CN1CCCC1 19521492 HTODLJVHTQBKTN-QFIPXVFZSA-N 382.504 3.824 0 40 GHAB COc1ccc(Cc2cnc(NC(=O)c3cc(C(F)(F)F)[nH]n3)s2)cc1 19555957 RLKDSXGLNCXCQL-UHFFFAOYSA-N 382.367 3.737 0 40 GHAB CCc1cc(C(=O)N2CCO[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)on1 19692212 WAWDXHSBYHGDEA-OAQYLSRUSA-N 395.434 3.576 0 40 GHAB CC(=O)N1CCCCC[C@@H]2N(C(=O)c3cnn(C)c3)[C@H](c3ccccc3)C[C@@]21C 19713545 GZUWZVZWLRPXSL-FUDKSRODSA-N 394.519 3.557 0 40 GHAB CC(C)c1ccc(CCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 19934475 KKORUAMTUWOCKC-UHFFFAOYSA-N 394.924 3.807 0 40 GHAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2oc3ccccc3c2c1 21888427 LEPIANBGHJDNBT-UHFFFAOYSA-N 391.427 3.779 0 40 GHAB O=C(NCc1ccccn1)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1 22572702 VAYNHSOVVPDZAL-UHFFFAOYSA-N 377.835 3.641 0 40 GHAB OCCN1CCN(CC/C=C2/c3ccccc3CSc3ccccc32)CC1 22577107 GBTIYAZGLIXSCT-NKVSQWTQSA-N 380.557 3.724 0 40 GHAB CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(F)c1 22683008 GSPSHVZSHWARAQ-LJQANCHMSA-N 381.451 3.832 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)Nc3ccccc3N3CCCCCC3)cnc12 22900427 FZOPECHWWZXTHV-UHFFFAOYSA-N 390.487 3.724 0 40 GHAB Cc1nc2sc([C@H](c3ccccc3)N3CCc4ccccc4C3)c(O)n2n1 23156834 OCWAEYXEHNJJFQ-SFHVURJKSA-N 376.485 3.953 0 40 GHAB Clc1ccc(COc2ccc(CNCCN3CCOCC3)cc2)c(Cl)c1 23263534 LQSUFVFEGQEAJR-UHFFFAOYSA-N 395.330 3.994 0 40 GHAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 23633527 SSYBLIKKSQBNIM-WIYYLYMNSA-N 386.511 3.901 0 40 GHAB Cc1cccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c1 24607637 KTAIVWPAIWOESC-UHFFFAOYSA-N 396.443 3.949 0 40 GHAB CC1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]1c1nc3ccccc3s1)C2=O 25747478 NZVWJNVGQNQTAT-JERHATOGSA-N 398.532 3.891 0 40 GHAB COc1ccc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc1OC 27662011 OBZNEORXLUJOFZ-UHFFFAOYSA-N 396.418 3.850 0 40 GHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(OC)c(C)c1 27744040 JIESHWHJWJEJDI-OAHLLOKOSA-N 385.395 3.989 0 40 GHAB CCc1ccc([C@H](CNC(=O)COc2ccc(OC)cc2)N2CCCC2)cc1 28292847 UFADODDEJFSJHR-QFIPXVFZSA-N 382.504 3.590 0 40 GHAB Cc1c(C(=O)NCc2cnn(-c3ccccc3)c2)cnn1-c1cccc(Cl)c1 29011794 AQERSGOPPRMUBT-UHFFFAOYSA-N 391.862 3.950 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30259985 CSIQWFVVKQDLCL-BJMVGYQFSA-N 387.842 3.869 0 40 GHAB CC(=O)NCCc1ccc(C(=O)CSc2ccc(C(F)(F)F)cn2)s1 31743388 SYWPHTAILZFTMR-UHFFFAOYSA-N 388.436 3.816 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)c1cc(C2CC2)nc2c1c(O)nn2C 32040010 BDWZXMGGSGNWHC-UHFFFAOYSA-N 388.830 3.616 0 40 GHAB CCc1[nH]c(C(=O)Nc2cc(OC)c(Cl)cc2OC)c(C)c1C(=O)OC 32674311 RNVQHHJKQUSVLG-UHFFFAOYSA-N 380.828 3.595 0 40 GHAB COc1ccc(OCc2nnc3n2N=C(c2ccc(C)cc2)[C@@H](C)S3)cc1 32682296 NDABHZNCEHYWJW-CQSZACIVSA-N 380.473 3.921 0 40 GHAB Cn1cc(S(=O)(=O)Oc2ccc(Cl)cc2C2CCCCC2)cc1C(N)=O 32770600 JPXKYYRAZNEUPP-UHFFFAOYSA-N 396.896 3.593 0 40 GHAB COCCOc1ccc(S(=O)(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1C 32831140 LVKDSUMHXLFZLN-KBXCAEBGSA-N 393.505 3.557 0 40 GHAB C[C@@H](Sc1nc(Cc2cccs2)n[nH]1)C(=O)N(C)Cc1cccc(F)c1 32893252 RLZRRHOWRCHRFJ-GFCCVEGCSA-N 390.509 3.735 0 40 GHAB COc1ccc2[nH]cc(C(=O)[C@@H](C)N3CCN(c4ccccc4OC)CC3)c2c1 34847940 XQXLZFMPOPWCCP-MRXNPFEDSA-N 393.487 3.579 0 40 GHAB O=C(Nc1ccc2c(c1)CCC2)C1CCN(C(=O)NCc2ccccc2)CC1 35314068 GJPSLOASBZZRRM-UHFFFAOYSA-N 377.488 3.736 0 40 GHAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)N2CCC(C)CC2)C1 35373558 ASJVNAHOPPBGKW-KRWDZBQOSA-N 382.508 3.503 0 40 GHAB Cc1ccccc1-n1nc(-c2nc(-c3ccccn3)no2)c2ccccc2c1=O 38652083 OZBVCEQHFBILFS-UHFFFAOYSA-N 381.395 3.806 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1Br 38755499 SNYKQTMQSKKZQJ-GFCCVEGCSA-N 384.295 3.806 0 40 GHAB CC(C)NC(=O)Nc1ccccc1C(=O)NCc1cccnc1OC1CCCC1 40091112 IZRCUIAUOBCTAA-UHFFFAOYSA-N 396.491 3.863 0 40 GHAB CC(C)[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cccs1 40097166 PDPIBMOQPTWAHP-MRXNPFEDSA-N 381.523 3.517 0 40 GHAB O=C(NCCOc1cccc(Cl)c1)C1CCN(c2ccc(Cl)cn2)CC1 40113605 FPMYMTIMWVECDE-UHFFFAOYSA-N 394.302 3.800 0 40 GHAB O=C(NCCc1nnc2ccccn12)c1cc2ccccc2n1Cc1ccccc1 40141492 CGROCQIPKRHNNJ-UHFFFAOYSA-N 395.466 3.705 0 40 GHAB CN(Cc1ccccc1Br)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 40160387 KLAHMURVGPGVED-OAHLLOKOSA-N 397.313 3.807 0 40 GHAB O=C(NCCSCc1ccccc1)Nc1cccc(C(=O)N2CCCC2)c1 44141327 CAUGZCQCNPISHK-UHFFFAOYSA-N 383.517 3.978 0 40 GHAB Cc1cc(C)c2oc(-c3cc(N4C[C@H](C(N)=O)CC4=O)ccc3Cl)nc2c1 45887537 GWYYLCVZAGHNNL-GFCCVEGCSA-N 383.835 3.603 0 40 GHAB O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(Cl)cc1Cl 47227719 SGDWZLYTCPBICM-UHFFFAOYSA-N 379.287 3.756 0 40 GHAB COc1ccc(CN(C)C(=O)CN(C)Cc2ccc(C(F)(F)F)cc2)cc1F 48345353 WNCLBBYSCDEHJG-UHFFFAOYSA-N 398.400 3.944 0 40 GHAB Cc1ccc(C2=CCN(CC(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2)cc1 51287236 ZWTHXAVMCLJOTN-OAQYLSRUSA-N 389.543 3.727 0 40 GHAB Cc1ccc(C(=O)COC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C)N3)c(C)c1 51353956 CSRZCTUPHDIQMJ-BLLLJJGKSA-N 395.381 3.847 0 40 GHAB Cc1oc(-c2cccs2)nc1C(=O)NCCc1cc(F)cc2c1OCOC2 52901864 BKGRNNQPPYZATN-UHFFFAOYSA-N 388.420 3.690 0 40 GHAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(CCCO)CO3 57120923 ZXHDWLJAWDVNFB-UHFFFAOYSA-N 379.456 3.535 0 40 GHAB CCOc1ccc(CCNC(=O)[C@H](c2ccccc2)n2cccn2)cc1OCC 58003036 JWGOGOCMUQKYJA-QFIPXVFZSA-N 393.487 3.629 0 40 GHAB CN(C(=O)c1ccc(N2CCOCC2)cc1)[C@H](c1ccccc1)c1ccccn1 58142340 NQQSBRGKNIEPFU-HSZRJFAPSA-N 387.483 3.780 0 40 GHAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@@H]1CCCN1C(=O)C1CC1 58159165 XWOYBSXTXVQXSL-NSHDSACASA-N 381.910 3.865 0 40 GHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3c(C)cccc3C)c2C)c(C)c1 67323586 HWZPZKOOHYJTJR-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NC[C@@H](O)c1cccc2ccccc12 70636132 PPQFXAAUNOIQQF-LJQANCHMSA-N 375.877 3.646 0 40 GHAB O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Cl)s1)CC2)c1ccco1 70638549 HLHNQJVTVDAQQU-UHFFFAOYSA-N 393.877 3.902 0 40 GHAB COc1ccc(-c2nc(-n3cccc3)sc2C(=O)N2CCSCC2)cc1 71280007 HIKIROGSPRZHIX-UHFFFAOYSA-N 385.514 3.798 0 40 GHAB CCN1CCN(c2ccc(C(=O)Nc3ccccc3-n3ccc(C)n3)cc2)CC1 84789387 HTQQXZNXHRFRJC-UHFFFAOYSA-N 389.503 3.575 0 40 GHAB CCOC(=O)c1cnn2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc12 90607184 YHUHRVMMACTEIS-UHFFFAOYSA-N 392.440 3.887 0 40 GHAB COc1ccc(CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1F 95348530 NXJLPYIFNLZFDJ-OAQYLSRUSA-N 384.451 3.614 0 40 GHAB COc1cccc(CS(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c1 95416609 AKASDJRISNXGCV-GOSISDBHSA-N 386.473 3.893 0 40 GHAB CC(C)Cn1ccc2c(NC(=O)[C@H](C)n3nnc4ccccc4c3=O)cccc21 95473591 JMUPRUHWEDIRCE-HNNXBMFYSA-N 389.459 3.602 0 40 GHAB CN1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)CC1 95477694 VNJKEYOPOXHNFT-UHFFFAOYSA-N 394.906 3.970 0 40 GHAB CC(C)c1noc(CCCNC(=O)c2cc3ccccc3nc2N2CCCC2)n1 95957353 MYOKECIAMNTMCQ-UHFFFAOYSA-N 393.491 3.704 0 40 GHAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1)C1CCCC1 95998720 QTICHJDFUKNAQR-MRXNPFEDSA-N 384.455 3.697 0 40 GHAB O=C(Nc1ccc2c(c1)COC2)N1CCN(c2nsc3ccccc23)CC1 96139118 WIYUSSCVMQGCFV-UHFFFAOYSA-N 380.473 3.681 0 40 GHAB CCc1nc(-c2cc(C(=O)N3CCC(N(C)C)CC3)c3ccccn23)cs1 96154816 TYSIMMNBCFNKDZ-UHFFFAOYSA-N 382.533 3.791 0 40 GHAB COC(=O)C[C@H](c1ccc(Br)cc1)c1c(O)ccc2nsnc12 96232392 UHRXOBOBGKOQSN-LLVKDONJSA-N 393.262 3.854 0 40 GHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)C1 102369121 JWCRTRXHIGFWSE-KSFYIVLOSA-N 398.528 3.776 0 40 GHAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc3cn[nH]c3c2)CC1 105464597 FJUAGACQBILKDJ-MRXNPFEDSA-N 381.499 3.695 0 40 GHAB COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 113895582 YIIZCZGMGWQZFE-UHFFFAOYSA-N 381.881 3.832 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 116171867 ZXCDNWFEKVBCIR-UHFFFAOYSA-N 377.444 3.977 0 40 GHAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc(OC)c1O 138042439 CFBIVVPQSCMBOS-YIXILNQISA-N 391.514 3.812 0 40 GHAB COc1ccc(Br)c(C(=O)NCC[C@@H](CCO)c2ccccc2)c1 206626370 VRMDLDMJVOBVDM-HNNXBMFYSA-N 392.293 3.744 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl 222633128 NOQMYMUZUSGQGB-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB CC[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 222838486 GGNOUGQLACLCOI-OAQYLSRUSA-N 397.496 3.890 0 40 GHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F 222904026 PNFUHQWOCZIXTK-HNNXBMFYSA-N 388.458 3.839 0 40 GHAB Cc1ccc(OCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1Cl 224135968 KBYRNQUDDYNEIX-UHFFFAOYSA-N 394.858 3.957 0 40 GHAB O=C(NCc1ccccc1OC(F)(F)F)c1ccc(O[C@H]2CCSC2)nc1 225715918 BUFBXWPBRYCTAF-AWEZNQCLSA-N 398.406 3.795 0 40 GHAB Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCCCC3)n2)cc1 225946473 MMHOMSDZAPOCMD-UHFFFAOYSA-N 375.929 3.915 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccnc(OC4CCCC4)c3)CC2)cc1 252490626 KYBGHVYAYRAZBT-UHFFFAOYSA-N 393.487 3.568 0 40 GHAB COc1ccc(-c2n[nH]c(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2C)c(OC)c1 253599493 LUAUPIPRNGRNBV-YRBFXIGRSA-N 383.492 3.957 0 40 GHAB Cc1c[nH]nc1[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCO1 257235974 HAHWSSLANSEICQ-FQEVSTJZSA-N 377.444 3.657 0 40 GHAB COc1cc(C)ccc1CN1CCC(c2cncc(Nc3cnccn3)n2)CC1 257341803 ZMAUFEWXPIDDLY-UHFFFAOYSA-N 390.491 3.707 0 40 GHAB COc1ccc(CN2CC[C@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)cc1 306142231 WUDZTUKKSFDMMR-QHCPKHFHSA-N 393.462 3.873 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1 408588151 CQRBSJOIAHGPSX-HNNXBMFYSA-N 390.505 3.514 0 40 GHAB Cc1ncn(-c2ccc(NC(=O)[C@H]3CCCN(c4ccccc4)C3=O)cc2)c1C 557268408 NXYFZNYLQMMXPM-OAQYLSRUSA-N 388.471 3.871 0 40 GHAB CCn1c(NC(=O)[C@@H]2CCc3cc(Br)ccc32)nc2cccnc21 571050229 PFMVTRGLANXRQU-CQSZACIVSA-N 385.265 3.882 0 40 GHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2)c(F)c1 592585775 KOMVJXLAFUCOGX-UHFFFAOYSA-N 381.495 3.820 0 40 GHAB O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCCc2c1cc(F)c(F)c2F 622880949 MFRFNFFPNSJVNN-HIFRSBDPSA-N 380.410 3.564 0 40 GHAB O=C(Nc1cccc2c1OCO2)N1CC(Cc2ccccc2Br)C1 626489491 KVAPCGQANRMRNX-UHFFFAOYSA-N 389.249 3.884 0 40 GHAB CCN1CCN(C2CCC2)CCOc2ccccc2Oc2ncccc2C1=O 643588273 BXRQTWXXLJUERT-UHFFFAOYSA-N 381.476 3.583 0 40 GHAB C[C@H](NC(=O)N1CCOc2cc(Br)ccc2C1)c1cccnc1 663477166 OZXKUNAHILPGSL-LBPRGKRZSA-N 376.254 3.509 0 40 GHAB O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N[C@]12CCC[C@H]1C2 663753494 KCWPLOBMSMAIDT-LPHOPBHVSA-N 381.442 3.912 0 40 GHAB O=C(N[C@H](CO)c1nc(-c2ccccc2)no1)c1ccc2c(c1)Cc1ccccc1-2 672047095 SSRBETHLGFZLRF-OAQYLSRUSA-N 397.434 3.771 0 40 GHAB Cn1cncc1[C@H](CO)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 1557695478 UNLSFJUKYRGPJZ-KRWDZBQOSA-N 389.377 3.569 0 40 GHAB CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)=C1CO 1560405361 NQPOSFHRRVQNRH-UHFFFAOYSA-N 399.830 3.564 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)CN1c1ccc(F)cc1 1615130088 OPIJSOOIJFCSHB-NRFANRHFSA-N 390.405 3.502 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@@H]2CN(c3nc4cnccc4s3)C[C@H]2C1 1888914021 HKKPWWJYZRZDPC-VXGBXAGGSA-N 391.422 3.678 0 40 GHAB COc1cccc(-c2nc(-c3ccc4c(c3)CCN4S(C)(=O)=O)cs2)c1 8225517 GYJGYDDWCKUVGK-UHFFFAOYSA-N 386.498 3.808 0 40 GHAB COCCc1ccc(-c2csc(NC(=O)Cc3c(C)nn(C)c3C)n2)cc1 11226800 YLNPMUBPWHVJLG-UHFFFAOYSA-N 384.505 3.531 0 40 GHAB CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccccc1 873151 XLTHSDYAUCNJRN-UHFFFAOYSA-N 385.468 3.780 0 40 GHAB Cc1ccc(-c2cc(C(F)F)nc(S[C@H]3CC(=O)[C@H]4OC[C@@H]3O4)n2)cc1 1070363 QJZHUDPDGNIUET-ZOBUZTSGSA-N 378.400 3.565 0 40 GHAB COc1ccc(-c2nsc(SCC(=O)Nc3cccc(OC)c3)n2)cc1 3007374 IYPJIHRHPATASM-UHFFFAOYSA-N 387.486 3.953 0 40 GHAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1C 3135949 YMMPFTKIGMPYAH-UHFFFAOYSA-N 386.433 3.736 0 40 GHAB C[C@H](NC(=O)c1sccc1Br)c1ccc2c(c1)CCC(=O)N2 45977901 ZTIQTZPKTSBMNL-VIFPVBQESA-N 379.279 3.886 0 40 GHAB C[C@@H](Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1)C(=O)c1ccccc1 4545022 ITUYFYWRVXXPMH-VBFRANPASA-N 389.451 3.872 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)NC2CCCCC2)CC1 4861422 FSBCGABLMBPIEM-UHFFFAOYSA-N 391.943 3.753 0 40 GHAB COc1ccc2c(c1)c(C(=O)CSc1nnc3c(n1)CCCC3)c(C)n2C 4935508 OIXWCPHAKVXGJA-UHFFFAOYSA-N 382.489 3.534 0 40 GHAB C[C@@H](NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1)[C@@H]1CCCO1 6524881 PPELJGSARQLMGI-KKZNHRDASA-N 379.810 3.677 0 40 GHAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc4ccccc4c3)ccc21 9365938 CITNSKSUXIHWEB-UHFFFAOYSA-N 380.469 3.804 0 40 GHAB Cc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Cl)cc1 8417509 UMKOMPWWUWLQHD-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB COc1ccc(-c2nnc(COC(=O)c3cccc4c3O[C@H](C)[C@@H]4C)o2)cc1 32842815 IXNJMQBDYGHXKE-QWHCGFSZSA-N 380.400 3.987 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 32895560 FSYOENSTZSXMIN-QMMMGPOBSA-N 394.301 3.881 0 40 GHAB C[C@H](Sc1nnc(C2CCCCC2)n1N)C(=O)NCCC1=CCCCC1 2640085 JWGXIPZKYOZPQD-AWEZNQCLSA-N 377.558 3.527 0 40 GHAB CCCCOc1ccc(-c2nonc2NC(=O)[C@@H]2COc3ccccc3O2)cc1 11914151 VPBGHDOCGKTAJV-SFHVURJKSA-N 395.415 3.694 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Nc2ccccc2)cc1 103580969 XMGFGFJYBTYVMS-PMACEKPBSA-N 389.455 3.710 0 40 GHAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 707266 JDISKVMLRXGPOM-BBITVKMKSA-N 395.414 3.812 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)Oc3ccc4oc(=O)cc(C)c4c3)ccc12 713125 VVOPNAJLBKZZHG-UHFFFAOYSA-N 392.363 3.501 0 40 GHAB biogenic COc1ccc(CCCC(=O)Nc2cccc(OCCn3ccnc3)c2)cc1 61163254 HYTNPSFQJQHFFX-UHFFFAOYSA-N 379.460 3.932 0 40 GHAB COc1cc(C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)cc(Cl)c1OC 58163061 TXYKJUVCZNUEDF-UHFFFAOYSA-N 393.230 3.844 0 40 GHAB COc1ccc(Oc2ncccc2NS(=O)(=O)c2ccc(OC)cc2)cc1 1043425 SQIKLSMHCFARDO-UHFFFAOYSA-N 386.429 3.692 0 40 GHAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=S)Nc1ccccc1Cl)C1CC1 100427084 HMKHZXBUFKBOTQ-GJZGRUSLSA-N 377.941 3.949 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)CCCC2 24345492 VDCWIBCGCJZOSS-MRXNPFEDSA-N 398.528 3.732 0 40 GHAB COC(=O)[C@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc2O1 8327099 UMMRBHZVQJSLLI-OAQYLSRUSA-N 387.435 3.786 0 40 GHAB COc1cc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cc(OC)c1OC 24759548 QOYOBRXUROMRLB-NSHDSACASA-N 381.375 3.805 0 40 GHAB CC(C)c1noc([C@@H](C)S(=O)(=O)Cc2ccc(F)c(Br)c2)n1 55207527 CARSIBAHTHZENV-SECBINFHSA-N 391.262 3.771 0 40 GHAB CCc1n[nH]c(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)c1C 72362813 BPLCILDHLLJAAJ-MRXNPFEDSA-N 391.475 3.883 0 40 GHAB O=C(NC1CCC(c2ccccc2)CC1)c1ccc(Cn2ccccc2=O)o1 25099347 DXQKVSUDQOBZNE-UHFFFAOYSA-N 376.456 3.946 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1 113958191 SHLOFOXLRGLSAC-KRWDZBQOSA-N 386.517 3.579 0 40 GHAB O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1cccc(Br)c1 22760183 XQUOCEUIJFZUHK-UHFFFAOYSA-N 386.233 3.849 0 40 GHAB O=C(NCc1ccc(Br)s1)c1cccc(Nc2ncccn2)c1 25515889 FWUIKDWQVYVDAN-UHFFFAOYSA-N 389.278 3.974 0 40 GHAB COc1ccccc1CNC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 3283802 KWCRMEKJGLVNAV-UHFFFAOYSA-N 396.443 3.818 0 40 GHAB O=C1c2ccccc2C(=O)N1CCN(C(=O)c1ccccc1)c1cccc(F)c1 3223967 SNJOUCOPHLFNAJ-UHFFFAOYSA-N 388.398 3.769 0 40 GHAB O=C(Nc1ccc(F)cc1)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409137625 XJGMYFQPAOYADJ-UHFFFAOYSA-N 384.392 3.733 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 3272260 FNXYNJSJYXPXAA-UHFFFAOYSA-N 399.443 3.559 0 40 GHAB O=C(Cn1c(C2CC2)nc2ccccc21)NC[C@@H](c1ccccc1)N1CCCC1 58343169 NVSLIQYZIWZSJC-QFIPXVFZSA-N 388.515 3.867 0 40 GHAB O=C(OCc1cc(-c2cccs2)on1)C1CCN(C(=O)c2ccco2)CC1 28173648 AXCBIAWXLPOBTI-UHFFFAOYSA-N 386.429 3.592 0 40 GHAB COc1cc2c(cc1OC)-c1cc(Nc3cccc(C)c3C)nc(=O)n1CC2 2333456 MHTVNFOIEOFERT-UHFFFAOYSA-N 377.444 3.844 0 40 GHAB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NC(C)C)cc3N2)cc1 2303369 QKGUGNKDLUPNBZ-UKRRQHHQSA-N 382.386 3.690 0 40 GHAB Cc1csc(NC(=O)COC(=O)c2ccccc2COc2ccccc2)n1 10854028 NDASTACSOBXGNP-UHFFFAOYSA-N 382.441 3.826 0 40 GHAB COc1ccc(CCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1OC 3371138 GAGIKFBXRSVMAH-UHFFFAOYSA-N 390.288 3.532 0 40 GHAB Cc1ccc(C)c(OCCC(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)c1 12796393 RESURHVFFHTSAE-GOSISDBHSA-N 381.472 3.589 0 40 GHAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(C(=O)Nc2ccccc2)CC1 12765856 JJNZBGQGGIRSLV-AWEZNQCLSA-N 387.430 3.643 0 40 GHAB Cc1ccc2c(COC(=O)CNC(=O)c3ccc(Cl)cc3)cc(=O)oc2c1C 3414308 RHHMHLQQVYWEOC-UHFFFAOYSA-N 399.830 3.536 0 40 GHAB CN(Cc1ccc2ccccc2c1)C(=O)CNC(=O)c1cccc(OC(F)F)c1 12925469 HXKMUSYMZJFZQR-UHFFFAOYSA-N 398.409 3.830 0 40 GHAB CCc1ccccc1OCC(=O)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 6052583 ZCKUKXYHHNRJSI-IBGZPJMESA-N 392.377 3.515 0 40 GHAB O=C(c1cc(F)c(Cl)cc1Cl)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 64857781 NVRWCMRACPRZJO-RYUDHWBXSA-N 376.255 3.933 0 40 GHAB COc1ccc(CCc2nnc(NC(=O)[C@@H](C)Oc3ccccc3)s2)cc1 9196811 FETAQJMIFWDJAA-CQSZACIVSA-N 383.473 3.738 0 40 GHAB O=c1[nH]c2ccc(Br)cc2c(=O)n1-c1ccc(Cl)c(Cl)c1 18107554 WSMNZZQDLWFJGZ-UHFFFAOYSA-N 386.032 3.748 0 40 GHAB COc1ccccc1-n1cnnc1S[C@H](C(=O)NCc1ccccc1)C(C)C 9114623 BCCBVGMYPDBNHB-IBGZPJMESA-N 396.516 3.709 0 40 GHAB COC(=O)c1cc(NC(=O)CS[C@@H](C)c2ccccc2)cc(C(=O)OC)c1 13955079 KMRCUFGJOWGWDY-ZDUSSCGKSA-N 387.457 3.693 0 40 GHAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1ccc(C(C)(C)C)cc1)C2=O 6368211 VCPMOYUDSXVNLM-QRQCRPRQSA-N 386.492 3.528 0 40 GHAB CCCCc1nc2c3ccccc3n(CC(=O)c3ccc(Cl)cc3)c(=O)n2n1 65534989 KOXZAVWSXMSPTI-UHFFFAOYSA-N 394.862 3.923 0 40 GHAB COc1cc(NC(=O)c2ccccc2)c(C(=O)OCC(=O)C(C)(C)C)cc1OC 14199239 KNDHTBCPCKUJHL-UHFFFAOYSA-N 399.443 3.728 0 40 GHAB Cc1csc(S[C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n1 14199125 LOVUDTSOSJSHQY-HDPALTEOSA-N 379.551 3.727 0 40 GHAB O=C1C[C@@H](N2CCC[C@@H](c3nc4ccccc4s3)C2)C(=O)N1c1ccccc1 14184523 XNHGRUFQMFHVIX-CRAIPNDOSA-N 391.496 3.808 0 40 GHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)c2ccc(C)c(C)c2)cc1 6586012 RLLSAEJOTKKXPV-ICSRJNTNSA-N 394.500 3.854 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1 6602400 NCZUZTJORDMVTG-UHFFFAOYSA-N 396.443 3.946 0 40 GHAB COc1cccc(-n2cnnc2S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 5895513 HIOOKWWRNRDNPJ-CABCVRRESA-N 394.500 3.734 0 40 GHAB COC(=O)c1c(CN2C(=O)CC3(CCCCC3)C2=O)nc2ccccc2c1C 7046987 CWIBOURZWKCZIO-UHFFFAOYSA-N 380.444 3.539 0 40 GHAB COc1cccc(C(=O)NCCSc2ccc(Br)cc2)c1OC 15381636 DPMJMCYSMQXSSS-UHFFFAOYSA-N 396.306 3.988 0 40 GHAB CCOc1ccc(NC(=O)C[S@](=O)Cc2ccc(Br)cc2)cc1 19772412 HVSLVJOLHQLQSA-QHCPKHFHSA-N 396.306 3.735 0 40 GHAB COc1ccccc1CN(C)C(=O)Cn1c(-c2cscn2)nc2ccccc21 15583835 IEGHEDXOJOJNCX-UHFFFAOYSA-N 392.484 3.827 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2F)cc1OCC 7604916 MSYCONUXLVSEBZ-UHFFFAOYSA-N 375.396 3.727 0 40 GHAB CN1CCN(c2ccc(NC(=O)CCC(=O)c3ccc(Cl)s3)cc2)CC1 7987785 LSNXKICBJADOAC-UHFFFAOYSA-N 391.924 3.755 0 40 GHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(F)c(F)c1 9646333 GJPKXURROZUAON-UHFFFAOYSA-N 383.397 3.767 0 40 GHAB O=C([C@H]1C[C@@H]1c1cccc(F)c1)N1CCN(Cc2ccc(Cl)s2)CC1 89774935 AENGTHJNJZCLRO-SJORKVTESA-N 378.900 3.989 0 40 GHAB O=C(CCNC(=O)c1ccc2ccccc2c1)Oc1ccccc1-c1nnco1 89878711 FCLUEXIFJXXFRM-UHFFFAOYSA-N 387.395 3.615 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc(N2CCCC2=O)c1C 84041236 ABGIFJOAKCVYAV-UHFFFAOYSA-N 375.428 3.733 0 40 GHAB O=C(Nc1ccc(C2=NN=C(NC[C@H]3CCCO3)SC2)cc1)c1ccccc1 9882796 DRJUBOAMZOJUEK-GOSISDBHSA-N 394.500 3.514 0 40 GHAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccncc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409352400 YSDQEZCFTNNIMK-LBTNJELSSA-N 383.414 3.997 0 40 GHAB O=C(NCC[C@@H](O)c1ccccc1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 72303064 UGHRZGBIVLEDGT-GOSISDBHSA-N 389.377 3.745 0 40 GHAB Cn1cc(Nc2cccc(NC(=O)[C@H]3CCCCN3Cc3cccnc3)c2)cn1 78968638 APWKNWUHHBWLRT-OAQYLSRUSA-N 390.491 3.552 0 40 GHAB CCc1ccccc1NC(=O)[C@H](C)N1c2cccc3cccc(c23)S1(=O)=O 21379919 UQCOUJOPPKIFPJ-AWEZNQCLSA-N 380.469 3.938 0 40 GHAB Brc1ccc2ncnc(NC3CCN(Cc4ccncc4)CC3)c2c1 515589792 ORMZIZSCMQMELN-UHFFFAOYSA-N 398.308 3.864 0 40 GHAB COc1ccc(CCN(Cc2ccc(OC)c(OC)c2)C(=O)C(F)(F)F)cc1 3847226 MPUUSEOPMDVHBR-UHFFFAOYSA-N 397.393 3.846 0 40 GHAB biogenic O=C(Nc1cccnc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 409412643 YXVUWRDXAXIBSA-HXUWFJFHSA-N 379.441 3.701 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(OC)c3ncccc23)cc1Cl 129625580 JPSGYDPMRWLNPQ-UHFFFAOYSA-N 378.837 3.706 0 40 GHAB CSCc1ccc(CNC(=O)N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1 565818778 FXMJWRFRZXAIID-DOTOQJQBSA-N 392.546 3.684 0 40 GHAB Cc1cccc(Nc2ccc([C@H]3CCCN(C(=O)c4cn(C)nc4C)C3)nc2)n1 72353337 FNYCFGGWLQMXOM-KRWDZBQOSA-N 390.491 3.590 0 40 GHAB Cc1cccn2cc(-c3cccc(NC(=O)c4ccc(N5CCCC5)nn4)c3)nc12 77099331 AJZWJYRCFPPLFP-UHFFFAOYSA-N 398.470 3.952 0 40 GHAB Cc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2cccnc2N)C1 72363031 XEFPWKLFRREWHN-INIZCTEOSA-N 389.459 3.574 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@H](C)Cn1nc(-c2cccs2)ccc1=O 61984100 UGAMZQAGUGDFKT-CQSZACIVSA-N 383.473 3.564 0 40 GHAB CC[C@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccccc1 225480329 CSRISPFEIQSIBP-KRWDZBQOSA-N 377.535 3.520 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1 223196910 BEPASUVZMBFGSL-LJQANCHMSA-N 388.508 3.612 0 40 GHAB Cc1ccc(CN(C(=O)Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)cc1 224207423 APOOAQSCEAJWCC-SFHVURJKSA-N 384.495 3.866 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 222412294 DEPZDKZOCINUTI-NRFANRHFSA-N 382.504 3.706 0 40 GHAB O=C(O)[C@H](Cc1cccc(Cl)c1Cl)N1CCN(c2ccccc2)CC1 225145801 IWGPVRJOTSIMAH-KRWDZBQOSA-N 379.287 3.811 0 40 GHAB Cc1cc(NC(=S)NCCCOC2CCCC2)ccc1N1CCCC1=O 225620669 XHDTYFDFHIYBRT-UHFFFAOYSA-N 375.538 3.758 0 40 GHAB O=C(O)[C@@H](Cc1cccc(Cl)c1Cl)N1CCN(c2ccccc2)CC1 225145758 IWGPVRJOTSIMAH-QGZVFWFLSA-N 379.287 3.811 0 40 GHAB CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224163483 UZCBUBGDNVAUTI-UHFFFAOYSA-N 378.469 3.569 0 40 GHAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222946123 BOPQCLOAOKGJKP-HNNXBMFYSA-N 386.517 3.818 0 40 GHAB CC(=O)N1CCC[C@@]2(CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)C1 96157126 XEARYUOOXANHIW-QGZVFWFLSA-N 388.817 3.833 0 40 GHAB COc1cccc(CSC[C@@H](O)[C@@H](O)CSCc2cccc(OC)c2)c1 96137135 PJSSAKODMSVJKE-BGYRXZFFSA-N 394.558 3.592 0 40 GHAB CCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1OCCC 95945913 BSMDHUMCEGIGFY-UHFFFAOYSA-N 393.461 3.763 0 40 GHAB Cc1cc(Nc2cc(CC3CCN(C(=O)CC(C)C)CC3)nc(C3CC3)n2)[nH]n1 257305253 SPCAUGKELCNBJV-UHFFFAOYSA-N 396.539 3.956 0 40 GHAB O=C(O)c1cnc(NCCOc2cccc(F)c2)nc1CCCc1ccccc1 257201432 AHRCPUYJADXOOT-UHFFFAOYSA-N 395.434 3.980 0 40 GHAB O=C(c1ccncn1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257318989 VQFPHHADFDBFCM-QFBILLFUSA-N 399.878 3.665 0 40 GHAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4OC)OCC[C@@]31C2 257318511 VOFYLTMXLAGRRQ-XBKSPILMSA-N 387.520 3.730 0 40 GHAB COC1CCN(c2ccc(C(=O)NCc3cccnc3-c3ccco3)cc2)CC1 253394089 ACKKUFNLWTZUAH-UHFFFAOYSA-N 391.471 3.887 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCCCN2CCC[C@H](C)C2)cc1Cl 260735094 FLVNSGBNUCLAKS-AWEZNQCLSA-N 397.972 3.925 0 40 GHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C)C2)c1 260565598 QFVNCUNSDCOOHT-INIZCTEOSA-N 386.517 3.692 0 40 GHAB O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)C1CCOCC1 634301778 ZNWYWTLCJMQPTO-UHFFFAOYSA-N 380.366 3.936 0 40 GHAB CC(C)c1ccc([C@H](N)CNC(=O)c2c(F)cncc2Br)cc1 637831081 PTCQJXRBGBIYTA-OAHLLOKOSA-N 380.261 3.536 0 40 GHAB CCOC(=O)C(F)(F)[C@H](NC(=O)c1nccc2ccsc12)c1ccccc1 1129122473 BDWDZWUFBDVZIS-MRXNPFEDSA-N 390.411 3.966 0 40 GHAB O=C(c1ccccc1C(F)(F)F)N1CCC(N[C@H]2CCCn3ccnc32)CC1 655756863 JXQPJMXVWWSJJA-KRWDZBQOSA-N 392.425 3.631 0 40 GHAB CC(C)C[C@H](NC[C@]1(OCCO)CCOC1)c1cccc(C(F)(F)F)c1 658147686 FHBBCKKRRWNOQW-ZWKOTPCHSA-N 375.431 3.550 0 40 GHAB COC(=O)[C@@H]1CN(C(=O)Nc2ccccc2OC(F)(F)F)Cc2ccccc21 599718871 RJRSGGYFVYRDHR-CQSZACIVSA-N 394.349 3.890 0 40 GHAB O=C(N1CC(S(=O)(=O)C2CCCCC2)C1)C1(c2cccs2)CCCC1 96104338 KODGWQGDWFLSKW-UHFFFAOYSA-N 381.563 3.518 0 40 GHAB COc1ccc(F)cc1CN1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615122753 QPATWUOPEQSJHH-HSZRJFAPSA-N 398.478 3.622 0 40 GHAB CC(=O)N1CCC(N2CCC3(CC2)Oc2cc(C)ccc2[C@H]2OCCC[C@@H]23)CC1 1615526034 NTEIFHUZBWJKDR-JTHBVZDNSA-N 398.547 3.701 0 40 GHAB COc1ccccc1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 5060290 CQRHVNDSEJCJOR-UHFFFAOYSA-N 394.452 3.510 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NCCC1=CCCCC1 11612598 AYHVIQAHNJQPFV-LJQANCHMSA-N 390.549 3.627 0 40 GHAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCC2 12330200 AKXALPNEXAIYSV-FGZHOGPDSA-N 397.490 3.699 0 40 GHAB COc1cccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc23)c1 15935250 AFAUBHIKMMFCKK-UHFFFAOYSA-N 379.445 3.554 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)on1 19119794 IFRLHTKSYLSMCR-NSHDSACASA-N 394.353 3.866 0 40 GHAB Cc1ccc(CC(=O)N[C@@H](C)c2nc3cc(-c4ccccc4F)ncn3n2)cc1 19210094 BVLNCDYHRKPDQH-HNNXBMFYSA-N 389.434 3.659 0 40 GHAB O=C(CCc1[nH]nc2c1CCCC2)N1CCC[C@@H](COc2ccc(F)cc2)C1 19335825 BMBZPICBYGZKNM-MRXNPFEDSA-N 385.483 3.678 0 40 GHAB Cc1cc(C)n(CCCC(=O)N2CCc3onc(Nc4ccccc4F)c3C2)n1 19574118 ZBJHUIQDELFLAF-UHFFFAOYSA-N 397.454 3.736 0 40 GHAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2OC)CC1 19901818 CVVVPKJABJVSLX-UXHICEINSA-N 398.547 3.771 0 40 GHAB NC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(I)c1 226333426 APGFBCBHJBMBBY-FNORWQNLSA-N 397.187 3.508 0 40 GHAB CCOc1ccccc1CN1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 12187331 UARVMCGJILOLMX-UHFFFAOYSA-N 379.464 3.613 0 40 GHAB CN(CC1CCN(c2ncnc3c2CCCC3)CC1)c1ncnc(C2CC2)c1F 1888882128 FDHPZQCZIRADAZ-UHFFFAOYSA-N 396.514 3.515 0 40 GHAB O=C(O)c1ccccc1-c1ccc(CN2CCCC[C@@H]2c2cc(CO)[nH]n2)cc1 1848353749 PODAFCCOZGISKF-JOCHJYFZSA-N 391.471 3.994 0 40 GHAB CCOc1cc2c(cc1NC(=O)[C@H]1CC(c3cccc(F)c3)=NO1)O[C@H](C)C2 33162651 DEAJDOHPZLIQBJ-MPBGBICISA-N 384.407 3.680 0 40 GHAB CCN1Cc2ccccc2NC2(CCN(Cc3cccc(OC)c3)CC2)CC1=O 2037985876 ZKACNICCPXVBEL-UHFFFAOYSA-N 393.531 3.894 0 40 GHAB COCC(=O)N1CCCCCCCNCc2cc(-c3ccc(F)nc3)ccc21 2037931625 GKSGPBBWWKPDOC-UHFFFAOYSA-N 385.483 3.921 0 40 GHAB COc1ccc(C(=O)NCc2nnc(SC(C)C)n2-c2ccccc2)cc1 4059375 WHMLZBYYIOSHFY-UHFFFAOYSA-N 382.489 3.706 0 40 GHAB COc1ccc(OC)c2sc(NC(=O)c3cc4ccccc4oc3=O)nc12 4292217 LGNGAROFHYHSEE-UHFFFAOYSA-N 382.397 3.672 0 40 GHAB O=C(NC[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccccc1C(F)(F)F 9038991 OMXVFOAIRBFJOJ-ZDUSSCGKSA-N 377.366 3.880 0 40 GHAB Cc1cc(C(=O)N(CCCN(C)C)c2nc3ccc(Cl)cc3s2)no1 12229520 JGNISUBTHPOHCJ-UHFFFAOYSA-N 378.885 3.845 0 40 GHAB Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccc(-c3cccs3)cc2)cc1C 1775977048 FTOKVHMTQLBTJT-IBGZPJMESA-N 394.496 3.820 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NC1CC1 36601919 LPQRXBMVNPONEO-FZKQIMNGSA-N 396.516 3.510 0 40 GHAB CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)C1 40134042 DRSWOWYHJLAHIN-CYBMUJFWSA-N 392.912 3.796 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1 779207 WYELLMPTMBMBAZ-UHFFFAOYSA-N 386.452 3.572 0 40 GHAB O=C(NCCc1c[nH]c2cc(F)ccc12)[C@@H](c1ccccc1)N1CCSCC1 50765415 LECLPPHJVXHJEE-OAQYLSRUSA-N 397.519 3.756 0 40 GHAB NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)SCc1ccccc1 4535925 FIWAQJRIROPAEC-LJQANCHMSA-N 386.517 3.870 0 40 GHAB O=C(O)c1ccc([C@@H]2Nc3ccccc3-c3nc(=O)c(-c4ccccc4)nn32)cc1 101167910 NVROPFMMEDCXRG-HXUWFJFHSA-N 396.406 3.643 0 40 GHAB Cc1ccc2nc(COc3ccc(Br)cc3Cl)cc(=O)n2c1 4846895 QMNCOXINOBTHQP-UHFFFAOYSA-N 379.641 3.998 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(C)c1C 4855174 FHCCDOYFPHHQLZ-UHFFFAOYSA-N 395.532 3.907 0 40 GHAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCN(c2ccccc2)CC1 7069390 QWWBIRKGEGTGQH-UHFFFAOYSA-N 396.878 3.671 0 40 GHAB O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1cccc(C(F)(F)F)c1 8513249 YWJKXYWSJBNCPR-UHFFFAOYSA-N 379.367 3.616 0 40 GHAB CC1CCC(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)CC1 40930027 VBSPVLALWWGZAR-UHFFFAOYSA-N 382.508 3.644 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)O[C@@H](C)C(=O)N(C)c3ccccc3)o2)cc1 32777472 NHASPYHNSGCAHK-INIZCTEOSA-N 393.443 3.572 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(N2CCOCC2)cc1 2648559 RYSGKSKVBUPIEB-UHFFFAOYSA-N 396.878 3.923 0 40 GHAB Cc1ccc(CCC2CCN(C(=O)CN3C(=O)COc4ccccc43)CC2)cc1 32857586 ZJAIEEWFARLVCA-UHFFFAOYSA-N 392.499 3.592 0 40 GHAB CCN1C[C@@H](CN(C)C(=O)NCC2(c3ccccc3)CC2)Oc2ccccc21 32889706 PDSRUPOZTIGSMB-LJQANCHMSA-N 379.504 3.647 0 40 GHAB Cc1c(C(=O)N[C@@H]2CCCc3ccccc32)sc2nc3n(c(=O)c12)CCC3 2654889 CFCJBBOTEHUHHQ-OAHLLOKOSA-N 379.485 3.520 0 40 GHAB Cc1nn2c(NCCOCCO)cc(C(C)(C)C)nc2c1-c1ccc(F)cc1 21799316 URTONYGSPMORQE-UHFFFAOYSA-N 386.471 3.562 0 40 GHAB Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2F)s1 2703619 XDJHAKNJCWQZRB-INIZCTEOSA-N 393.399 3.842 0 40 GHAB Cc1nn(Cc2cccc(C(=O)NCc3ccco3)c2)c(C)c1Br 27970600 XAALXYNXTFCLOE-UHFFFAOYSA-N 388.265 3.834 0 40 GHAB Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)oc2c1 28251400 LCPMZTGGRGYZKZ-KRWDZBQOSA-N 381.428 3.824 0 40 GHAB Cn1ccnc1Sc1ccc(NC(=O)c2ccccc2N2CCOCC2)cc1 61135738 DRODVQXWOTYSII-UHFFFAOYSA-N 394.500 3.660 0 40 GHAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(Cl)c1 727479 LJUVMEMHERBKQI-HNNXBMFYSA-N 397.814 3.704 0 40 GHAB COc1ccc([C@H]2C[C@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1OC 803122 SMSJEYKCKFKCJJ-HUUCEWRRSA-N 385.855 3.677 0 40 GHAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccccc3)C2)cc1OC 890362 RIFZUSGVPPRSQG-SFHVURJKSA-N 396.443 3.636 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCN(Cc2ccsc2)CC1 22915939 NCZTUIHOJMQLLJ-OAHLLOKOSA-N 377.941 3.855 0 40 GHAB Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 941891 RVYLXHNPDNGNAS-UHFFFAOYSA-N 385.445 3.653 0 40 GHAB CCOc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1 1107655 DARWDAPLGONIDH-UHFFFAOYSA-N 393.395 3.970 0 40 GHAB CCOc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3ncnn32)cc1 1291665 ABQIHXPEMXMMPA-LJQANCHMSA-N 382.464 3.842 0 40 GHAB CC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1Cc1ccccc1 1654689 LHQUSTNHYRLWBI-UHFFFAOYSA-N 382.485 3.944 0 40 GHAB O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 26088520 KNYSRYDMDBNXJQ-UHFFFAOYSA-N 379.794 3.504 0 40 GHAB O=C(/C=C/c1cccc(Cl)c1)OCc1nc(-c2ccc3c(c2)OCO3)no1 57476991 BBLYUWIRIPVNLX-QPJJXVBHSA-N 384.775 3.875 0 40 GHAB Cc1ccc(Cc2cnc(NC(=O)CCCn3cncn3)s2)cc1Cl 47826982 OMCRUTSLWUSDAS-UHFFFAOYSA-N 375.885 3.706 0 40 GHAB COc1ccccc1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 3228075 UPBLFGMNZGAWJI-UHFFFAOYSA-N 388.729 3.558 0 40 GHAB CC(=O)N1CCCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1 58112212 DDIKDFDDKMFLJE-UHFFFAOYSA-N 390.503 3.681 0 40 GHAB Cc1ccc(C)c(OCCC(=O)Nc2ccn(Cc3cn4ccccc4n3)n2)c1 58202026 SMWPAEQMKKXPCS-UHFFFAOYSA-N 389.459 3.604 0 40 GHAB Cc1sc2nc(COC(=O)CSc3ccc(F)cc3)nc(N)c2c1C 10533873 BQSCMGVYJPFDTK-UHFFFAOYSA-N 377.466 3.865 0 40 GHAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(c2nccs2)CC1 58512222 UEUJOGBNDLYQLE-QGZVFWFLSA-N 392.528 3.959 0 40 GHAB CNS(=O)(=O)c1cc(NC(=O)c2cc3c(C)cc(C)c(C)c3[nH]2)ccc1C 28436109 FTSLSVMURGGFQL-UHFFFAOYSA-N 385.489 3.562 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)ccc12 12892300 DXOBBHATXXRXCY-OAHLLOKOSA-N 390.439 3.709 0 40 GHAB biogenic O=C(NCc1nnc2ccccn12)c1cn(-c2ccccc2)nc1-c1ccccc1 8352264 VVDDGRTWVMEUCU-UHFFFAOYSA-N 394.438 3.512 0 40 GHAB C[C@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 3537495 VGAHNRVZEUKAQI-HNNXBMFYSA-N 389.484 3.785 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1c(Cl)cccc1Cl 3541787 SHDUVUOZLLTSNI-UHFFFAOYSA-N 384.238 3.642 0 40 GHAB COc1ccc(OCCN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 8341102 DWXDYPPIKJYFHA-UHFFFAOYSA-N 391.471 3.909 0 40 GHAB COc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 3607664 KVGKMADFBYIEDM-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB CCOC(=O)[C@H]1CCCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@H]23)C1 4044687 SBBCQMGYCCNVDO-DKAJDXDZSA-N 389.536 3.720 0 40 GHAB biogenic C[C@H](CC(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 4516122 GPPOADHJNKHHGJ-LRYXAPPNSA-N 398.503 3.518 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(Br)cc1F 6587104 FGONABGQPBJLCP-UHFFFAOYSA-N 393.212 3.915 0 40 GHAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1C 4816376 GVHNXJQLXLOODV-CYBMUJFWSA-N 396.472 3.639 0 40 GHAB Cc1sc2ncnc(SCC(=O)NCc3nc4ccccc4n3C)c2c1C 9645828 IRDIJWRCQRGMMQ-UHFFFAOYSA-N 397.529 3.603 0 40 GHAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccc(-n2ccnc2)cc1 18047969 MARIXTPIAVGCKJ-AWEZNQCLSA-N 392.484 3.798 0 40 GHAB CCCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccncc1 19297991 LBGDYGMEIKLOIF-QGZVFWFLSA-N 381.505 3.672 0 40 GHAB CC[C@H](C)CNC(=O)c1nc(-c2ccnn2-c2ccc(C)cc2)n2ccncc12 306140886 VGEVNAKABGOFCM-HNNXBMFYSA-N 388.475 3.666 0 40 GHAB COC(=O)c1sc(NC(=O)C[C@H]2CSCCS2)nc1C1CCCC1 96013943 ATYQSFOVEZYOGC-NSHDSACASA-N 386.564 3.765 0 40 GHAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN=C1c1ccccc1 19619228 BYBDGUVPLJMIKI-UHFFFAOYSA-N 386.517 3.968 0 40 GHAB Cc1ccc(S(=O)(=O)N(Cc2cc3ccccc3[nH]c2=O)CC(C)C)cc1 9451907 UNMJSIVYWXFZMZ-UHFFFAOYSA-N 384.501 3.683 0 40 GHAB O=C(c1cc(Cl)ccc1F)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 95369555 SDGDIZYRYJXOJU-IAGOWNOFSA-N 386.854 3.567 0 40 GHAB C[C@@H](OC(=O)c1nc2ncc(Br)cn2n1)c1ccc2ccccc2c1 95954678 CXPAUDGOWUGNAE-LLVKDONJSA-N 397.232 3.958 0 40 GHAB Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 22913160 RQQWOQVLBBQJGT-SFHVURJKSA-N 384.545 3.624 0 40 GHAB O=C(NCc1nc(-c2ccncc2)n[nH]1)N1CC2(CCCC2)c2cccc(F)c21 515137733 FJNDQQXSHDXUKF-UHFFFAOYSA-N 392.438 3.547 0 40 GHAB CC(C)c1ccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C(C)C)cc1 35347832 MKJNKRVPLAQUIO-FCHUYYIVSA-N 393.531 3.604 0 40 GHAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1ccccc1 217637941 MMZNRLNWHSWLOE-UHFFFAOYSA-N 382.441 3.798 0 40 GHAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(Br)o1 70639987 DOTNVPBWYCDDRJ-SNVBAGLBSA-N 378.144 3.524 0 40 GHAB O=C1N=C(O)/C(=C\c2cccn2-c2ccc(F)cc2)C(=O)N1Cc1ccco1 33788999 GKITUCPNGRAFEX-GZTJUZNOSA-N 379.347 3.712 0 40 GHAB C[C@@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)Nc2cccc(Cl)c2)N=C1O 36592917 FOCVYTFVPOWZSB-SUMWQHHRSA-N 385.851 3.945 0 40 GHAB Cc1ccc2nc(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)sc2c1 36709372 PWCWAQKAOKWQDY-UHFFFAOYSA-N 396.472 3.688 0 40 GHAB COc1ccccc1CCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44906639 NGOPAKPWMBTWIG-HXUWFJFHSA-N 384.495 3.795 0 40 GHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCCOC(C)C 222832023 OTXHZJMTPJQHIL-MRXNPFEDSA-N 382.932 3.789 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C 225380255 ACRHLIAGQVBABE-OALUTQOASA-N 396.531 3.878 0 40 GHAB COC(=O)c1ccc2[nH]c(-c3cc(Br)c(OC)c(OC)c3)nc2c1 85398415 KTSOARGNFORFCO-UHFFFAOYSA-N 391.221 3.796 0 40 GHAB Nc1ccc(N2CCOCC2)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 226253979 YJPCJECTRYDMHO-UHFFFAOYSA-N 387.483 3.876 0 40 GHAB CCCSc1nnc(NC(=O)CN2C(=O)c3cccc4cccc2c34)s1 223229692 OPLXTYYALYFMQI-UHFFFAOYSA-N 384.486 3.792 0 40 GHAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224344632 BSQFSSLBUWSOGX-UHFFFAOYSA-N 381.453 3.667 0 40 GHAB O=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1ccccc1Br 225571107 UXQRHPBTFOZVBB-UHFFFAOYSA-N 385.143 3.763 0 40 GHAB Cc1cc(C(=O)N(C)[C@H](c2ccccc2)c2ccccn2)c2c(C)nn(C)c2n1 42699064 VSKJYTNXJTWGSM-OAQYLSRUSA-N 385.471 3.842 0 40 GHAB CC(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccn(C)n2)CC1 80328395 CQJURWINJLNHEU-MHJFOBGBSA-N 396.535 3.549 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccccc1 222937651 YNVSLQVMCWNJTE-INIZCTEOSA-N 388.508 3.612 0 40 GHAB O=C(O)[C@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 225146820 ZHXZURJFDXISAL-SFHVURJKSA-N 378.394 3.523 0 40 GHAB CC[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(C)cc1 222560342 KXGUURRNSYISKQ-FQEVSTJZSA-N 386.517 3.806 0 40 GHAB S=C(Nc1ncc(Br)cc1Br)NC1CCCC1 224032933 QCGDHPWYILZECJ-UHFFFAOYSA-N 379.121 3.836 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCCOc1ccccc1Cl)CCCC2 223288444 JQVCPIUMWLZDDQ-UHFFFAOYSA-N 395.908 3.585 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)no2)cc1 257289683 PZUKREOOZURJRZ-GMAHTHKFSA-N 392.455 3.695 0 40 GHAB CC(C)(C)c1nnc2ccc(NC[C@@H]3CCCN(Cc4ccccc4)C3)nn12 681384220 YLKSDVIZRQDCLD-SFHVURJKSA-N 378.524 3.746 0 40 GHAB COC1(CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)C2CC3CC(C2)CC1C3 96123922 NCPBOTSFMJFCIV-UHFFFAOYSA-N 390.911 3.544 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(C(=O)N2c3ccccc3C[C@H]2C)[nH]n1 665845820 ZYZJZRFZEWKVDL-GASCZTMLSA-N 386.455 3.593 0 40 GHAB CC(C)(C)NC(=O)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 5780806 QRELFGCCPINFMH-UHFFFAOYSA-N 386.292 3.727 0 40 GHAB COc1ccc(OC)c(NC(=O)C[C@@H](Cc2ccc(Cl)cc2)C(=O)O)c1 5558522 XGRIRVJILBCLBH-CYBMUJFWSA-N 377.824 3.629 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 5868569 GJRXOTDRZIDGAB-UHFFFAOYSA-N 396.472 3.688 0 40 GHAB COc1ccc([C@H](NC(=O)c2cnc(C(C)(C)C)nc2)c2ccncc2)cc1 12148489 YTPLBMIAZCPEKU-IBGZPJMESA-N 376.460 3.697 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ccc(C(F)(F)F)cn1 12527506 KZVCTUKHFNULEP-LLVKDONJSA-N 395.406 3.956 0 40 GHAB O=C(NC(=S)/N=c1\[nH]c2ccc(O)cc2s1)c1ccc(Cl)c(Cl)c1 17081420 KTCQIFHYHOZFNR-UHFFFAOYSA-N 398.296 3.857 0 40 GHAB O=C(CSc1cc(C(=O)NC2CC2)c2ccccc2n1)NCc1cccs1 17274914 WQGXFUSZWMIZDW-UHFFFAOYSA-N 397.525 3.597 0 40 GHAB CN(C)CC(C)(C)CNc1ncc(-c2cccc(F)c2)c(-c2nccn2C)n1 19085024 AYKYORQRUMMISM-UHFFFAOYSA-N 382.487 3.683 0 40 GHAB C[C@H]1C[C@@H](C)CN(Cc2c3cccn(CC(=O)N(C)C)c-3nc2C(F)(F)F)C1 19462578 DFWHBCZURRWXHU-OKILXGFUSA-N 396.457 3.573 0 40 GHAB Cc1cc(N2CCC([C@H]3CC=CCN(C)C3=O)CC2)nc(-c2ccccc2)n1 19698497 SUGYCYZORVUFKS-HXUWFJFHSA-N 376.504 3.703 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 19936777 LCLCJTDXCRSZPJ-UHFFFAOYSA-N 387.244 3.722 0 40 GHAB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1cccc(OC)c1 6348306 LNICMIRFPDDSBG-NDENLUEZSA-N 391.423 3.775 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)CCc2nc(O)c3ccccc3n2)cc1F 618395889 IRCMNNBKTJHMNC-GOSISDBHSA-N 395.434 3.779 0 40 GHAB CCCCc1nc(CN2Cc3ccccc3O[C@@H](CN(C)C)C2)c(Cl)[nH]1 19502337 BQWSMCQXBVZREB-INIZCTEOSA-N 376.932 3.731 0 40 GHAB CC(C)c1ccc(C2(C(=O)N3CCC[C@@H](N4CCNC4=O)C3)CCCC2)cc1 594587498 NTTOCQMOUCYVDQ-HXUWFJFHSA-N 383.536 3.638 0 40 GHAB O=C(NCCCc1nc2ccccc2[nH]1)c1cc(F)ccc1Br 11486218 VLHBBNSMOKZRRD-UHFFFAOYSA-N 376.229 3.827 0 40 GHAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 32346612 AQUPGWHKIRSPER-MRXNPFEDSA-N 395.484 3.716 0 40 GHAB CCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1cc(C)ccc1C 4059386 HDROZXVOVFIBIH-UHFFFAOYSA-N 396.516 3.935 0 40 GHAB CCOc1ccc(S(=O)(=O)c2cn(CC)c3ccc(CC)cc3c2=O)cc1 4193370 ZZFQBGGRURZFRZ-UHFFFAOYSA-N 385.485 3.815 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 5269024 VAKTXJCYXAEKNU-UHFFFAOYSA-N 386.810 3.950 0 40 GHAB CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccccc3)ccc21 8840980 IMQAIDACFUAPNG-UHFFFAOYSA-N 386.517 3.954 0 40 GHAB CCOc1ccc(N2C[C@H](CNC(=O)Nc3ccccc3Cl)CC2=O)cc1 9039613 RESAQLUKLYOXCX-AWEZNQCLSA-N 387.867 3.913 0 40 GHAB Cc1ccn2c(=O)c(NC(=O)COc3ccc(Cl)cc3Cl)c(C)nc2c1 9617223 APQYEHNOPUIDSW-UHFFFAOYSA-N 392.242 3.636 0 40 GHAB CCSc1ccc(CC(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 10252531 RVSQKBZWEMLRSG-UHFFFAOYSA-N 397.456 3.801 0 40 GHAB CCOc1ccccc1NC(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O 12440949 RLENOQAUMQCJQB-UHFFFAOYSA-N 395.434 3.867 0 40 GHAB COc1ccc(OC)c2c1s/c(=N\C(=O)c1nc3ccccc3s1)n2C 100823945 APPAZDFBBKJKGD-ZZEZOPTASA-N 385.470 3.608 0 40 GHAB Cc1cc(C)cc(N2C(=O)[C@H]3N=NN(c4ccc(Br)cc4)[C@H]3C2=O)c1 101078050 HQDVQKPLHVRCNH-JKSUJKDBSA-N 399.248 3.564 0 40 GHAB Cc1nccc(O[C@@H]2CCN(C(=O)NC(c3ccccc3)c3ccccc3)C2)n1 575611689 GASXHBJJQHMNJV-HXUWFJFHSA-N 388.471 3.737 0 40 GHAB Cc1cc(C)cc(N2C[C@@H](c3nc(-c4ccc(N(C)C)cc4)no3)CC2=O)c1 7572328 BIHBQVXBDPMVMX-KRWDZBQOSA-N 376.460 3.940 0 40 GHAB O=C(Nc1ccccc1)N1CCC(O)(c2ccc(Br)cc2)CC1 13576520 MBNXZAWURWCWKC-UHFFFAOYSA-N 375.266 3.965 0 40 GHAB Cc1ccc(OCCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1C 40060301 DBDKGVHSHHOIRC-UHFFFAOYSA-N 380.488 3.625 0 40 GHAB Cc1noc(C)c1CCC(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 40040438 KKHBHUCXBAFXAD-UHFFFAOYSA-N 396.487 3.849 0 40 GHAB COc1ccc(NC(=O)N2CCN(Cc3cccs3)CC2)cc1OC(F)F 40104547 VLJXNMYZBBSUKW-UHFFFAOYSA-N 397.447 3.708 0 40 GHAB CCn1c2ccccc2c2cc([C@@H]3NC(=O)c4ccccc4N3CC(N)=O)ccc21 28512047 BBXAGVKERSGLAH-HSZRJFAPSA-N 398.466 3.548 0 40 GHAB C[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCCCO2 45414256 WWTPVLXNYRCOJJ-GFCCVEGCSA-N 379.815 3.897 0 40 GHAB CCc1cccc(CC)c1NC(=O)CSc1nnnn1-c1ccccc1OC 651185 ARRBDAUNXKBCHH-UHFFFAOYSA-N 397.504 3.527 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1 1346956 NHQXWMVUVSLQFH-KRWDZBQOSA-N 375.831 3.792 0 40 GHAB COc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4OC)C3)n2)c1 1362423 SIJKLZTXLBXZRV-INIZCTEOSA-N 393.443 3.774 0 40 GHAB CCc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccccn1 1362527 RNKHLPWDFAPYQN-UHFFFAOYSA-N 393.516 3.606 0 40 GHAB O=C1C(Cl)(Cl)[C@@H]2C=C[C@@](COCc3ccccc3)(O2)C1(Cl)Cl 3851518 ZSRYYCRLUJIWIT-AAEUAGOBSA-N 382.070 3.828 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2nnn(-c3ccc(C)c(F)c3)c2C)cc1OC 51317734 RXGNOCNSKDAIQR-ZDUSSCGKSA-N 398.438 3.531 0 40 GHAB O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1C[C@H](O)c1cccc(F)c1 51319705 QEFXAJMIZZEWKM-FQEVSTJZSA-N 387.414 3.845 0 40 GHAB Cc1ccc(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)cc1Cl 4895126 OYBZLVGWIBYXIY-UHFFFAOYSA-N 383.883 3.669 0 40 GHAB CCCCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 6308638 BONJPCZQHXOSMH-UHFFFAOYSA-N 388.533 3.805 0 40 GHAB COc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1Cl 6646955 NGGSFXXKYTYXCD-UHFFFAOYSA-N 378.925 3.778 0 40 GHAB COc1cc(CNC(=O)CSCc2ccccc2C)cc(OC)c1OC 7014314 XUKWCOKROFQQHK-UHFFFAOYSA-N 375.490 3.570 0 40 GHAB C[C@@H]1CCCN(CCCCNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C1 45988445 HJPNCXQFOHTBTH-GOSISDBHSA-N 386.540 3.556 0 40 GHAB CCc1nn2c(O)cc(-c3cccnc3OC)nc2c1-c1ccc(OC)cc1 100219791 QOHORFXWWSGIMQ-UHFFFAOYSA-N 376.416 3.744 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1OCc1cn2ccccc2n1 8186068 NUDIEHUBFPEJNT-UHFFFAOYSA-N 387.395 3.894 0 40 GHAB CN(C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)[C@@H]1CCS(=O)(=O)C1 11851768 IJDKWTYYMWKXIR-LLVKDONJSA-N 388.272 3.513 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)CCC1CCCCC1 60104250 LCHLBUVUTKXPPH-UHFFFAOYSA-N 380.554 3.740 0 40 GHAB COc1ccc2c(c1)C=C(CN1CCN(Cc3ccccc3F)C[C@H]1C)CO2 57731485 JDZCPFLWOQGCTP-QGZVFWFLSA-N 382.479 3.816 0 40 GHAB CCCn1c(SCC(=O)N(C)Cc2cccs2)nnc1-c1ccncc1 21332333 ZQIAPXLYPJVTPV-UHFFFAOYSA-N 387.534 3.562 0 40 GHAB CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 9114470 JHJHFLLNHZQJSL-LBPRGKRZSA-N 375.266 3.576 0 40 GHAB CCCOc1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 51318096 KWTOJZAQFVSWLU-UHFFFAOYSA-N 384.867 3.948 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cnn(Cc2ccc(Cl)cc2)c1 28303589 RGBOGPUZLJZVFX-XBXARRHUSA-N 381.819 3.965 0 40 GHAB C[C@@H](NC(=O)[C@@H](C)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1 22929523 UGKUHBUHVTWWFU-HZPDHXFCSA-N 391.968 3.785 0 40 GHAB O=C(Cc1cnc(-c2ccccc2F)s1)N1CCN(c2ccccc2)CC1 12324695 UQXYIHMVESLWMP-UHFFFAOYSA-N 381.476 3.841 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)c3cc(C)n(Cc4ccco4)c3C)ccc21 22975261 DHGYVDIZOBDOKK-UHFFFAOYSA-N 377.444 3.908 0 40 GHAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 107803849 HLUVAWFAXJXSQT-UHFFFAOYSA-N 399.266 3.818 0 40 GHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(C)cc1 1035996 LKDBYVFRYKHMSP-UHFFFAOYSA-N 384.476 3.881 0 40 GHAB Clc1ccc(Cc2nn3c([C@H]4COc5ccccc5O4)nnc3s2)cc1 1016506 UKMZZVCMNWMVJL-OAHLLOKOSA-N 384.848 3.943 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1ccccc1S(C)(=O)=O 23696276 YJYJYQAWIRTPLQ-UHFFFAOYSA-N 387.545 3.977 0 40 GHAB CCCCN1C(=S)N[C@@H](c2ccccc2)C(C(=O)Nc2cc(C)on2)=C1C 24970444 UVODPBHFDMVWHA-SFHVURJKSA-N 384.505 3.927 0 40 GHAB O=C(NCc1cccs1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 23142587 AYJJKZQJUMEWNC-KRWDZBQOSA-N 378.501 3.738 0 40 GHAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12574338 AJPVPZTYTBFIFE-SJLPKXTDSA-N 392.484 3.730 0 40 GHAB Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(C(=O)O)cc3)n2)cc1 67898670 BCXHFYMAWDETQL-FQEVSTJZSA-N 377.444 3.657 0 40 GHAB biogenic,in-vitro CCCc1noc(CSc2nc3ccccc3c(=O)n2-c2ncccc2C)n1 25055592 BMKCEYMZKYOEGE-UHFFFAOYSA-N 393.472 3.717 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc(Br)cn3)cc2)cc1 27918187 RTJCOQHIDLSUHB-UHFFFAOYSA-N 392.278 3.744 0 40 GHAB O=C(C[C@@H]1OCCc2ccsc21)N1C[C@H](n2cccn2)Cc2ccccc21 89857882 RJKGMIVUNXAMHC-MJGOQNOKSA-N 379.485 3.779 0 40 GHAB CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(N)s3)ccc21 3247650 NOZSQXJVUWXOPL-UHFFFAOYSA-N 383.502 3.979 0 40 GHAB NC(=O)C1CCN([C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)CC1 20509634 ZHRXXKHEQQGSDW-GOSISDBHSA-N 396.878 3.677 0 40 GHAB Cc1noc(C)c1CCC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 58202520 DJCNXDYFRHABMG-UHFFFAOYSA-N 377.872 3.997 0 40 GHAB CC1CCN(CCCNC(=O)[C@@H](C(C)C)n2cnc3cc(F)c(F)cc32)CC1 58217928 NFKVTODZIVTGNQ-HXUWFJFHSA-N 392.494 3.750 0 40 GHAB FC(F)Oc1ccc(-[n+]2cc(-c3ccc4c(c3)OCCO4)n3c2CCC3)cc1 27788698 CBTFHNKBHPABSD-UHFFFAOYSA-N 385.390 3.751 0 40 GHAB CCOc1ccccc1OCc1nn2c(-c3cccc(OC)c3)nnc2s1 10311700 GVCNOEFNMOPBLY-UHFFFAOYSA-N 382.445 3.839 0 40 GHAB O=C(Nc1cc2c(cc1C(=O)O)OCCCO2)c1ccc(C(F)(F)F)cc1 8191119 OCRVXAFDSBAOBI-UHFFFAOYSA-N 381.306 3.817 0 40 GHAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(F)c(F)c1 2364730 GLNLXMZTWZGOIL-UHFFFAOYSA-N 394.472 3.959 0 40 GHAB c1cnn(-c2ccc(CN3CCC[C@H](c4nnc5n4CCCCC5)C3)cc2)c1 48362525 XYCCFZPCPFRIHF-IBGZPJMESA-N 376.508 3.570 0 40 GHAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 3492851 SVOOOPWLSADINH-QGZVFWFLSA-N 399.907 3.602 0 40 GHAB Cc1noc(C)c1CN1CCN(c2cnn3ccc(-c4ccccc4)cc23)CC1 306142413 WYVVZXVCXZEUOH-UHFFFAOYSA-N 387.487 3.928 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2ccc(F)c(F)c2)c1 12980699 XKSLRLSTZNYWGP-GFCCVEGCSA-N 388.443 3.698 0 40 GHAB CCCn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc21 13143517 WJPMDZSJYNZBOO-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)CN1CCCC1 13140788 UUQORJRRVXWUKO-UHFFFAOYSA-N 376.453 3.765 0 40 GHAB CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)cc1 8324420 CCXLCGRBBFVAAH-FQEVSTJZSA-N 393.439 3.692 0 40 GHAB CSCC[C@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1nc2ccccc2[nH]1 49600750 FQUKIAIKNDVJKH-IBGZPJMESA-N 396.516 3.674 0 40 GHAB CCOc1ccc(C2=Nn3c(nnc3-c3ccc(OC)c(OC)c3)SC2)cc1 5120403 PGIRMUJTQHPSOO-UHFFFAOYSA-N 396.472 3.719 0 40 GHAB CCc1cc(-c2n[nH]c(C(=O)O)c2-c2ccc3c(c2)OCCCO3)c(O)cc1O 5247960 BBZBAJRODFYLQV-UHFFFAOYSA-N 396.399 3.577 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)CN[C@@H](C)C12CC3CC(CC(C3)C1)C2 14197952 KHPRNBSQEKVXDC-YLUBKRJZSA-N 399.535 3.787 0 40 GHAB C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 4548822 YMNBJUUDVMNEGN-IQGLISFBSA-N 385.463 3.983 0 40 GHAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 6553645 SIDWSWMXUOAVMB-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 5511928 BZNAJJULZBBYRV-UHFFFAOYSA-N 398.937 3.749 0 40 GHAB O=C(CNc1ncnc2sc3c(c12)CCC3)Nc1ccc(F)c(F)c1F 6602244 HCFRAVNYASMTSI-UHFFFAOYSA-N 378.379 3.648 0 40 GHAB CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)NC1=S 5674985 BCHRVYFIJHQIDT-DHDCSXOGSA-N 376.840 3.746 0 40 GHAB Cc1c(C(=O)Nc2cc(Br)cn(C)c2=O)cccc1-c1ccccn1 119274922 QSCBFTAUOUAUTJ-UHFFFAOYSA-N 398.260 3.771 0 40 GHAB COC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc(OC)cc3)C2=O)cc1 18194982 PAYKLARAIJONBO-GZTJUZNOSA-N 398.440 3.588 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nc2ccsc2c1=O 67209306 NRWKLCPDGITVGM-UHFFFAOYSA-N 387.530 3.762 0 40 GHAB COc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1cc(C)c(OC)cc1C)CC3 15842185 WBODINYJZUZBCT-UHFFFAOYSA-N 398.484 3.620 0 40 GHAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCCOc1ccc(F)cc1 9154863 ZSNNESDRENIBCA-GOSISDBHSA-N 388.464 3.604 0 40 GHAB COc1ccc(C(=O)Nc2nnc(CCCOc3ccccc3)s2)c(OC)c1 9196727 MJRYUBJESRPSML-UHFFFAOYSA-N 399.472 3.819 0 40 GHAB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)NC(=O)Nc1ccccc1 9118061 LPAOQWBRIQHZPH-LLVKDONJSA-N 397.485 3.773 0 40 GHAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1cc(-c2ccccc2)on1 9533273 MVLUOIXNKOGBKC-FQEVSTJZSA-N 379.441 3.687 0 40 GHAB O=C(NC[C@@H]1COCCO1)c1ccccc1Nc1cccc(C(F)(F)F)c1 84500112 LGBDJAZHCCTBLQ-OAHLLOKOSA-N 380.366 3.594 0 40 GHAB COc1ccc(C)cc1C(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1 95451772 PNWZZLUFMUBSKU-UHFFFAOYSA-N 390.505 3.580 0 40 GHAB Cc1c([C@@H]2SCC(O)=Nc3c2c(O)nn3C2CCCCCC2)cnn1C 79494538 VTXNNHOCVBAXHS-INIZCTEOSA-N 375.498 3.950 0 40 GHAB CCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C[C@@H]1CCCO1 35312412 ONKQKULTJTYJPZ-HNNXBMFYSA-N 394.928 3.794 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1Cl 38697115 QMTLLQFFISSOIZ-UHFFFAOYSA-N 394.880 3.585 0 40 GHAB CN(C)S(=O)(=O)c1ccc(SCC(=O)c2ccc(C(C)(C)C)cc2)nc1 31745131 YDYJSIQKDOCXRI-UHFFFAOYSA-N 392.546 3.604 0 40 GHAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cccc(Br)c1 32119000 DEMOETRFGATGBP-UHFFFAOYSA-N 393.350 3.878 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)N1CCCC1 408609440 SZBANVOFNVFFKZ-UHFFFAOYSA-N 396.871 3.824 0 40 GHAB CC(C)Cn1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc2c1=O 79189053 QIDMHIBBVBTTAK-PGRDOPGGSA-N 395.547 3.652 0 40 GHAB biogenic COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1C 219678526 MEMBFBBEBCFZIG-GFCCVEGCSA-N 392.249 3.950 0 40 GHAB CC(=O)c1cccc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)c1 36356827 VSMZDCKVVXFLOV-UHFFFAOYSA-N 381.359 3.813 0 40 GHAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S 35039052 QPKBHMSFKKBDLP-QQFZQELXSA-N 395.502 3.548 0 40 GHAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(-n3ccnc3C)n2)cc1 72378491 PMCVCUZETUYEGP-OAQYLSRUSA-N 390.487 3.881 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3F)s2)CC1 36395193 RUSBQNGALGEKAH-UHFFFAOYSA-N 376.453 3.905 0 40 GHAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2cc(Cl)ccc2Cl)c1=O 225969260 NBLCCBSFFWTHRG-UHFFFAOYSA-N 397.258 3.945 0 40 GHAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1ccc(Br)cc1 225749883 KHAMZTXLOHALJO-UHFFFAOYSA-N 375.197 3.542 0 40 GHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCc3ccc(C)cc3)ccc21 223115185 KVDYRGPUEOSGSL-UHFFFAOYSA-N 399.516 3.652 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)NCc1nc(-c2ccc(Cl)cc2)no1 223643338 BILUWUAVZSUBTB-UHFFFAOYSA-N 398.271 3.663 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COc2cc(OC)cc(OC)c2)c(Cl)c1 44947226 KJBWELHCYAEMRV-UHFFFAOYSA-N 393.823 3.551 0 40 GHAB Cc1cc(N2CCCCC2)nc(NC(=S)NCc2ccc(Cl)cc2)n1 225935340 RUSIXOUCBMHRCE-UHFFFAOYSA-N 375.929 3.915 0 40 GHAB CCCCc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 225947540 SQQVCXYEZCZKBG-LJQANCHMSA-N 392.496 3.787 0 40 GHAB O=S(=O)(c1ccccc1)N1CC[C@]2(CCCN2Cc2ccccc2Cl)C1 96071032 KANNKLRQHDHYEK-HXUWFJFHSA-N 390.936 3.769 0 40 GHAB CCCSCC(=O)N[C@H](c1ccc(Br)cc1)c1nccn1C 585138469 UAVMYHXRFWWEEA-OAHLLOKOSA-N 382.327 3.531 0 40 GHAB CCN(C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)COC(C)C)CC2)C1 257329037 XICVHUTUDNIGRQ-SFTDATJTSA-N 388.552 3.645 0 40 GHAB C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccccn2)CC1 257327698 XCHJHTDYPXUMNH-XSLAGTTESA-N 393.535 3.651 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@@]3(C[C@@H](Oc4ccccc4Cl)CO3)C2)n1 257236028 HANQNGLTTJSIHU-IIBYNOLFSA-N 386.879 3.886 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1-c1ccc(=O)[nH]n1 90613915 PUFBBVVBFRDSTA-UHFFFAOYSA-N 390.226 3.761 0 40 GHAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2cccc(Cn3cncn3)c2)cc1 624232825 NIOMOLDAVIXHCM-GOSISDBHSA-N 389.503 3.953 0 40 GHAB CC1(C)[C@@H](NC(=O)Nc2ccccc2CN2C(=O)CCC2=O)[C@@H]1c1ccccc1 626327310 KUUFAYPONYTSIV-SFTDATJTSA-N 391.471 3.649 0 40 GHAB Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 648968137 TURXRRUOTFVTBK-ZIAGYGMSSA-N 382.895 3.648 0 40 GHAB O=C([C@@H]1CCCO1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Br)cc1 96096340 IZRUFBCZENTZGV-WBVHZDCISA-N 389.249 3.899 0 40 GHAB O=c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)nc(-c2cccnc2)[nH]1 72393131 SDPJENHEZSMRDZ-LJQANCHMSA-N 397.482 3.760 0 40 GHAB COc1cc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)ccn1 1615125149 ZBKZUFHNZYEZCW-JOCHJYFZSA-N 383.467 3.893 0 40 GHAB CC[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2cc(C(C)C)nc(C(C)C)n2)CCO1 1615610566 DPZYSYFHRCVFEZ-ROUUACIJSA-N 390.572 3.823 0 40 GHAB Cc1cc2c(=O)n(C)c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc2s1 5017104 GAOPOKMDENJERF-UHFFFAOYSA-N 393.921 3.996 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c1C 5326468 FWAHMGPCWMPGPZ-UHFFFAOYSA-N 386.448 3.727 0 40 GHAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)Cc2ccc(F)cc2)C1 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Cc1ccc(OCC(=O)N[C@H](C)Cn2c(C(F)(F)F)cc3cccnc32)cc1 19211011 PCRNYQJDFZQSTD-CQSZACIVSA-N 391.393 3.947 0 40 GHAB Cc1cccc2c(C[C@@H](C)NC(=O)C[C@H](C)n3nnc4ccccc43)c[nH]c12 19236598 OWQQIRJGNIWIJZ-CVEARBPZSA-N 375.476 3.920 0 40 GHAB CC(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 19454634 XIAHCBGJUWZGPK-FQEVSTJZSA-N 396.926 3.819 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3cc[nH]n3)cc2N1 19520623 ZJMXACSQUAYEOA-BYCMXARLSA-N 396.417 3.671 0 40 GHAB CCc1nccn1C[C@H](C)C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 19523590 DWXXTKVRLQLXOS-KKSFZXQISA-N 385.508 3.756 0 40 GHAB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)c1sc(C)nc1C)C2 19560179 YQSHMEXQUNTWLV-LJQANCHMSA-N 386.517 3.762 0 40 GHAB Cc1nc(N2CCCC2)sc1C(=O)NC[C@@H](c1cccc(Cl)c1)N(C)C 19663607 YTBZGUXFVRTTQY-INIZCTEOSA-N 392.956 3.738 0 40 GHAB CC[C@H](C(=O)Nc1nn2c(-c3ccc(OC)cc3)nnc2s1)c1ccccc1 20486465 LQKOIUJGBQQBFM-INIZCTEOSA-N 393.472 3.994 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCN(Cc2ccsc2)CC1 22915943 NCZTUIHOJMQLLJ-HNNXBMFYSA-N 377.941 3.855 0 40 GHAB O=C(NC1CCC(C(F)(F)F)CC1)[C@H]1CCCN(C(=O)c2cccs2)C1 23024083 QHTKYGMCBGIATH-HSBZDZAISA-N 388.455 3.838 0 40 GHAB O=C(NCc1ccccc1CN1CCOCC1)c1cc(Cl)sc1Cl 23762650 VAWGCMOIKQJYKZ-UHFFFAOYSA-N 385.316 3.817 0 40 GHAB COc1ccc(/C=C/C(=O)N[C@H](C(=O)N(C)Cc2ccsc2)C(C)C)cc1 24384101 JQQQLLYJUOSGOC-OSICKASQSA-N 386.517 3.569 0 40 GHAB CC(C)(CNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)N1CCOCC1 24601927 KECOJLPGIQOBAV-UHFFFAOYSA-N 394.515 3.544 0 40 GHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1c[nH]c2ccccc12)CC3 25452341 DJPGKGGXAIFHMP-UHFFFAOYSA-N 387.439 3.563 0 40 GHAB Cc1cccc(N2CCN(CCCCNC(=O)c3c(F)cccc3F)CC2)c1 26961851 LVEUBWQVDXNYRY-UHFFFAOYSA-N 387.474 3.605 0 40 GHAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1cccc(N2CCOC2=O)c1 30879059 UUVXLXVOBNLNAJ-UHFFFAOYSA-N 393.468 3.872 0 40 GHAB CCOC(=O)[C@@H](NC(=O)[C@H]1CC=CCC1)c1c(C)nn(-c2ccccc2)c1C 32740931 ZWEDKYNCEUPFPA-PXNSSMCTSA-N 381.476 3.566 0 40 GHAB Cc1nc(N2CCN(C(=O)N3CCCC3)CC2)c2c3c(sc2n1)CCCCC3 32899458 JPSPIXSNZWLVRA-UHFFFAOYSA-N 399.564 3.606 0 40 GHAB CCOC(=O)c1cc(OCc2nc3ccccc3nc2C)cc(C(=O)OCC)c1 32957763 OZLOZPZWKNWDBV-UHFFFAOYSA-N 394.427 3.871 0 40 GHAB Cc1csc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)n1 35290216 KKCFDHCVDVUNCB-DYZYQPBXSA-N 375.523 3.542 0 40 GHAB Nc1c(-c2nc(-c3ccc4c(c3)OCO4)cs2)nnn1-c1cccc(F)c1 38486899 FKPZMGWYLSSIIP-UHFFFAOYSA-N 381.392 3.508 0 40 GHAB O=C(Nc1nnc(Cc2ccccc2)s1)C1(c2ccccc2)CCOCC1 41759302 RQYRDRNBVCTFMR-UHFFFAOYSA-N 379.485 3.816 0 40 GHAB CCC(=O)N1CCc2cc(C(=O)N(Cc3ccc(OC)cc3)C3CC3)ccc21 44903087 HQLYWPWGCHWVOR-UHFFFAOYSA-N 378.472 3.799 0 40 GHAB CCOCCCC(=O)Nc1nc(-c2ccc([C@@H](C)NC(C)=O)cc2)cs1 47064754 MIFOPWXAMNMSEA-CYBMUJFWSA-N 375.494 3.762 0 40 GHAB C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 47081073 NVVYHMJLWTWAGW-FUHWJXTLSA-N 398.528 3.856 0 40 GHAB CN(Cc1cc(Br)cs1)C(=O)c1cc2ccccc2oc1=O 48327432 NHWZCTYZEOIKMZ-UHFFFAOYSA-N 378.247 3.889 0 40 GHAB CCCN1CCC(NC(=O)[C@H](C)Sc2ccc(Br)cc2)CC1 48338670 YFNSAFWVOBJZOO-ZDUSSCGKSA-N 385.371 3.920 0 40 GHAB CSc1ccc(CNC(=O)CSc2ncccc2-c2nc(C)no2)cc1 49407042 WCBFTUGFUUWJEX-UHFFFAOYSA-N 386.502 3.570 0 40 GHAB CCOC(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 54613785 YDCWHXQHZNAAPI-UHFFFAOYSA-N 390.867 3.729 0 40 GHAB Cn1ccnc1SCc1cccc(C(=O)Nc2ncccc2OC(F)F)c1 57694772 TVNCZPNXNIFEGZ-UHFFFAOYSA-N 390.415 3.961 0 40 GHAB COc1cccc(/C=C/C(=O)N2CCC[C@@H](CN3CCC(C)CC3)C2)c1OC 58160204 GWVFEHZWJBXBQA-YXBWYFRISA-N 386.536 3.688 0 40 GHAB CCCCCN(C(=O)CCc1ccc(S(=O)(=O)NC)cc1)[C@H](C)CCC 58169221 XSQRSCSMUHRRHA-QGZVFWFLSA-N 382.570 3.735 0 40 GHAB Cc1c(O)ccc2c(CN3CCCC[C@@H]3[C@H](O)c3ccccc3)cc(=O)oc12 58182615 XDXUQXVIUSCPPV-DENIHFKCSA-N 379.456 3.895 0 40 GHAB O=C(NCc1ccc(Br)s1)c1ccc(-c2ccccc2)[nH]c1=O 59251498 SZQVJUSXQIUIMG-UHFFFAOYSA-N 389.274 3.796 0 40 GHAB COc1cccc(CNC(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)c1 69420766 SPWJVJRRTRVXGH-UHFFFAOYSA-N 376.416 3.664 0 40 GHAB O=C(N1CCN(Cc2nc3ccccc3s2)CC1)C1(c2ccccc2)CC1 69970027 RPPYZEDFPHOABU-UHFFFAOYSA-N 377.513 3.672 0 40 GHAB O=C(CNc1ccccc1Cl)Nc1cccc(C(=O)NCc2ccccn2)c1 70038273 AHTVYTBYGXRJAJ-UHFFFAOYSA-N 394.862 3.716 0 40 GHAB CC(C)CN1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 72216466 ZRJYWSBOHHBXKS-IBGZPJMESA-N 388.556 3.932 0 40 GHAB Cc1nc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)sc1C 72338981 ZIDVWOQYNDEBLD-OPBRUMHYSA-N 397.500 3.653 0 40 GHAB CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)Nc1c(F)cccc1F)CC2 77196412 WLAHUWDUSUWNHT-UHFFFAOYSA-N 395.435 3.541 0 40 GHAB Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@@H](CC(C)C)C(=O)NCCO 84093281 ZNHZPAJQLBTQKS-KRWDZBQOSA-N 395.569 3.530 0 40 GHAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCC(c2nc3ccccc3s2)CC1 95471299 SKGKOUJNHURVSC-MRXNPFEDSA-N 389.521 3.773 0 40 GHAB O=C(C[C@@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21)NC1CC1 96052989 LAMGKOPREVNJJZ-GOSISDBHSA-N 375.516 3.771 0 40 GHAB Cc1cc(S(=O)(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c(C)s1 97093622 IASUTNOITWZWSM-UHFFFAOYSA-N 375.519 3.810 0 40 GHAB CCSc1ccccc1NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 220318309 MJHKBJZPXPMGMJ-CYBMUJFWSA-N 396.509 3.731 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 222574702 QLTQUALXOPKOQN-KRWDZBQOSA-N 386.517 3.724 0 40 GHAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 222758860 QTQUCIJWVYZKJR-ROUUACIJSA-N 379.441 3.642 0 40 GHAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)CC1 222918145 PIRXTXQJKQQAFK-LJQANCHMSA-N 375.509 3.943 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1 223139683 ITXYOJJXTOYTIL-HOTGVXAUSA-N 388.458 3.839 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1 223196845 BEPASUVZMBFGSL-IBGZPJMESA-N 388.508 3.612 0 40 GHAB CCOc1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc3ccccc3c2)c1 225064922 FLCLKYZCORVFMD-UHFFFAOYSA-N 399.468 3.607 0 40 GHAB Cc1cc(NC(=S)N[C@@H](C)COc2ccccc2)ccc1N1CCCC1=O 225784114 HQCPAWCWJYQDLB-INIZCTEOSA-N 383.517 3.876 0 40 GHAB O=C(CCc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@H]1CC(n1nccn1)C2 238945725 WKJQERPKGBBLIH-HOTGVXAUSA-N 378.398 3.624 0 40 GHAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)c1ccc(Br)cc1 239808099 KHFNYXXRHMROCY-MRXNPFEDSA-N 395.322 3.562 0 40 GHAB CCCCC[C@H](O)CC[C@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@@H]2C[C@H]1O 255993762 PAJMKGZZBBTTOY-QFCZJPRCSA-N 390.520 3.583 0 40 GHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCc4ccccc4)OCC[C@@]31C2 257256320 KKZFIQQSINTYLM-LMEXZFPPSA-N 385.548 3.982 0 40 GHAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C 260927585 ZAHAJTIZRVCRBP-LSTHTHJFSA-N 384.549 3.671 0 40 GHAB Fc1cc(I)cc(Cl)c1I 306706764 QQLAKNXZBNWZKG-UHFFFAOYSA-N 382.341 3.688 0 40 GHAB CCn1cc(C(=O)Nc2ccccc2C(=O)OC)c(=O)c2cc(Cl)ccc21 408712928 BSGFGHBHHBVYFY-UHFFFAOYSA-N 384.819 3.714 0 40 GHAB C[C@@H]1C[C@H](N2CCCC2)CN1CC(=O)N(Cc1ccccc1)c1ccccc1 512182006 CSUVLRWWZVLYNX-OFNKIYASSA-N 377.532 3.778 0 40 GHAB C[C@H]1C[C@H](N2CCCC2)CN1CC(=O)N(Cc1ccccc1)c1ccccc1 512182007 CSUVLRWWZVLYNX-REWPJTCUSA-N 377.532 3.778 0 40 GHAB Cc1nc(-c2cccc(NC(=O)N[C@@H]3CCO[C@H](c4nccn4C)C3)c2)oc1C 578154619 IUZDUVZUQBYOFP-MSOLQXFVSA-N 395.463 3.734 0 40 GHAB O=C(CSCc1cscn1)NC[C@@H](NCc1ccccc1)c1ccco1 581742989 ZYZRCQBSHJNYFP-QGZVFWFLSA-N 387.530 3.617 0 40 GHAB Clc1ccc2ncc(-c3cccc(C[C@@H]4COC5(CCNCC5)C4)n3)n2c1 585263439 ZIPLQFUAXNEBHW-HNNXBMFYSA-N 382.895 3.751 0 40 GHAB Cn1cc([C@@H]2CN(C(=O)c3ccc(-n4cccc4)cc3)Cc3ccccc32)cn1 585408211 HUKZZROXIHHROZ-QHCPKHFHSA-N 382.467 3.999 0 40 GHAB COc1ccc(-c2nc(-c3coc4ccccc4c3=O)n(O)c2C)cc1OC 604404357 CSURHKCAIDXIAP-UHFFFAOYSA-N 378.384 3.886 0 40 GHAB biogenic CC(=O)N1CC[C@@H](NCCc2nc(-c3ccncc3)cs2)c2ccccc21 621755618 ZXHQPZMQUMMCOK-GOSISDBHSA-N 378.501 3.835 0 40 GHAB CNC(=O)c1ccc(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)c(OC)c1 626675661 BSNBXKYOELQSOE-OAHLLOKOSA-N 399.516 3.701 0 40 GHAB CC(C)c1nc([C@@H]2CCCCCN2C(=O)C[C@@H](C(=O)O)c2ccccc2)no1 634911313 VURGXHUWEBMXJF-SJORKVTESA-N 385.464 3.895 0 40 GHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)[C@H]1CCCc2sccc21 644888380 BYRHPPZZAFJHID-HNNXBMFYSA-N 386.908 3.965 0 40 GHAB O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCOC[C@@H]1c1cccc(F)c1 657170067 JWNRKWIQXMSGRE-GFCCVEGCSA-N 395.399 3.668 0 40 GHAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CCO[C@](C)(C2CC2)C1 664424345 AQVUXKKHPSJBPK-QFIPXVFZSA-N 382.508 3.706 0 40 GHAB CCc1nc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)sc1C 1565524134 BEIMRYFXCMSTEO-UHFFFAOYSA-N 399.516 3.548 0 40 GHAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)c4ccccc4)CCO3)n2)s1 2037834381 AJXOIRCFGZEAMV-KRWDZBQOSA-N 380.473 3.804 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)N2CCCc3cc(C)ccc32)c1 24443489 AEQFFBQYLNGVJG-UHFFFAOYSA-N 378.501 3.830 0 40 GHAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1 24994495 JVERQAQQZDEJNR-HNNXBMFYSA-N 377.366 3.652 0 40 GHAB COc1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccc(Cl)cc2)cc1 1477092 YBQZCQSRBXSOMW-LJQANCHMSA-N 384.819 3.993 0 40 GHAB Cc1cc(C)n(-c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)n1 72403976 BXOKIHKLWOIIFY-UHFFFAOYSA-N 378.451 3.591 0 40 GHAB COc1cc([C@@H]2SCC(O)=Nc3c2c(C)nn3-c2ccccn2)ccc1O 79493078 MPVQARHRFBATII-SFHVURJKSA-N 382.445 3.714 0 40 GHAB CCN(CC)Cc1ccccc1NCC(=O)N1CCCc2cc(OC)ccc21 55869173 VSPWJLKRYWXKNB-UHFFFAOYSA-N 381.520 3.928 0 40 GHAB O=S(=O)(c1ccc2ccccc2c1)N1CCN=C1SCc1cccnc1 2711803 VVGBAVHCIBTZMB-UHFFFAOYSA-N 383.498 3.529 0 40 GHAB CC[C@@H](Cc1cc(OC)c(C)cc1OC)NC(=S)NC(=O)c1ccccc1 3140366 LGVOXRWWEKSJPK-KRWDZBQOSA-N 386.517 3.638 0 40 GHAB CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)N2CCOCC2)cc1 25969274 HQWBTCGZSQDFKO-UHFFFAOYSA-N 375.472 3.883 0 40 GHAB FC(F)(F)c1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccccn1 4406313 YLBOXAGQRPZDGY-UHFFFAOYSA-N 391.744 3.582 0 40 GHAB Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@H]2CCCO2)c1 4540668 NSUSANJMRJDMOV-OAQYLSRUSA-N 390.483 3.966 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H](C)C3)c2)cc1 12605248 CSMILRMZRLYDKN-MRXNPFEDSA-N 386.517 3.976 0 40 GHAB CCn1c(CNC(=O)Cn2cc(C(=O)OC)c3ccccc32)cc2ccccc21 4973481 QQHFCIBEKHDNMQ-UHFFFAOYSA-N 389.455 3.719 0 40 GHAB CCN1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)CC1 4980715 LMXYDSRSLZUCIX-UHFFFAOYSA-N 379.483 3.556 0 40 GHAB COc1cc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)ccc1OC(F)F 7781072 CFRUBQLCOLGUDB-UHFFFAOYSA-N 389.354 3.747 0 40 GHAB Cc1ccc(N(CCCC(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1C 10329797 XPRBJKHKDGLENR-SFHVURJKSA-N 388.533 3.727 0 40 GHAB Cc1sc2nc([C@H](C)Sc3nnnn3C3CCCC3)[nH]c(=O)c2c1C 8013639 AHHDFQLGLOUEBO-JTQLQIEISA-N 376.511 3.556 0 40 GHAB Cc1ccccc1CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 8367315 GVIXXXFWBIDSMP-UHFFFAOYSA-N 375.472 3.751 0 40 GHAB COc1cccc(CNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1 10042828 QFXCSLZMQTVYQF-UHFFFAOYSA-N 388.471 3.757 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCCCn1c(=O)oc2ccccc21 58179755 WCDQUYPJCJOYMG-UHFFFAOYSA-N 394.500 3.979 0 40 GHAB O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 58245536 HHKXVDLLHDGAAS-AWEZNQCLSA-N 388.773 3.920 0 40 GHAB COC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1 9198737 ACKAMNJPTMUCNQ-UHFFFAOYSA-N 383.429 3.562 0 40 GHAB CS(=O)(=O)Nc1ccccc1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 28020738 DHKJTZZIZWPXCO-MDZDMXLPSA-N 384.379 3.729 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(SCCOc2c(C)cccc2C)nc1 10864897 MMESDODXTNVYNI-UHFFFAOYSA-N 394.562 3.900 0 40 GHAB O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccncc1 2488434 SRFPSZHDXHIMSC-JOCHJYFZSA-N 392.842 3.742 0 40 GHAB CCn1ncc(-c2cc(C(F)F)nc(NC[C@@H](C)Cn3ccc(C)n3)n2)c1C 36612868 XVNFYNDNVIRIAO-GFCCVEGCSA-N 389.454 3.859 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)NC1CCCCCC1 28829109 VKIMPTNCRITXQD-UHFFFAOYSA-N 383.492 3.544 0 40 GHAB COCc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)o1 11374680 MOAQWHVIBTZLIP-UHFFFAOYSA-N 399.472 3.638 0 40 GHAB CSCC[C@@H](C(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O 2634726 LSCIKRZBFSORME-INIZCTEOSA-N 388.876 3.696 0 40 GHAB COc1ccc(-c2cc(N3CCC(NC(=O)c4ccc(C)s4)CC3)[nH]n2)cc1 98212795 IHAPSIBTNCPAAB-UHFFFAOYSA-N 396.516 3.854 0 40 GHAB O=C(COc1ccc(Br)cc1Br)Nc1ccncc1 12552790 IZBNQQYSYHEGON-UHFFFAOYSA-N 386.043 3.624 0 40 GHAB Cc1c(Cl)ccc2c1N(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)CCC2 95960480 FCMIFEKLYKVBGF-UHFFFAOYSA-N 390.892 3.675 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 12816959 BDKKXCKYTXCJED-ACCUITESSA-N 378.881 3.567 0 40 GHAB CCN1CCN(c2cc(CN[C@@H]3CCCOc4ccc(C)cc43)ccn2)CC1 95421341 PMRAXPSRCYCGSL-OAQYLSRUSA-N 380.536 3.535 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccccc3CN3CCCC3)c12 12808057 BMPUPLVVEDBVFD-UHFFFAOYSA-N 390.487 3.934 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 3407451 KLDKMDFUBPPGPC-QHCPKHFHSA-N 398.506 3.983 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1CCCc2ccccc21 3512561 YBHMQRGYHBUPCL-UHFFFAOYSA-N 376.412 3.786 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H](CC(C)C)N1CCOCC1 13003223 FVNACIMAJGDTFE-GOSISDBHSA-N 387.549 3.595 0 40 GHAB Cn1nc(C(=O)N(Cc2cccs2)Cc2cccs2)c2ccccc2c1=O 9337044 NBGVFMBBFBYQGL-UHFFFAOYSA-N 395.509 3.899 0 40 GHAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccccc3Cl)C2)cc1 4173410 YAJNXKXTKWEJPZ-GOSISDBHSA-N 386.835 3.891 0 40 GHAB CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 6094162 WMCYQQPKXSGQRG-KGLIPLIRSA-N 399.491 3.914 0 40 GHAB O=C1C[C@@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 5045042 YKSYZXPMGHASHL-BDQAWRDZSA-N 386.234 3.953 0 40 GHAB CCC(=O)Oc1cccc2cc(-c3nc(-c4ccc(OC)cc4)no3)c(=O)oc12 9431184 DPDLTJITUUASFE-UHFFFAOYSA-N 392.367 3.834 0 40 GHAB COc1ccc2cc(NC(=O)[C@H]3CCCN(c4nc(C)cc(C)n4)C3)cnc2c1 95472435 JOEAGEXQJPIIJP-KRWDZBQOSA-N 391.475 3.505 0 40 GHAB COc1cc2c(cc1OC)CN(CC(=O)Nc1cccc(C(F)(F)F)c1)CC2 5347757 RKEUOCRNYAAZBH-UHFFFAOYSA-N 394.393 3.719 0 40 GHAB CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCCC[C@H]1C 5500086 BPIYYUWPZSBKJV-CQSZACIVSA-N 387.480 3.556 0 40 GHAB CN(c1ccccc1)c1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1 4746836 FVXBWHOHKWWNPV-UHFFFAOYSA-N 382.264 3.522 0 40 GHAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(O)c(OCC)c1 6881563 KJALYBRTULCPSG-IBGZPJMESA-N 379.412 3.853 0 40 GHAB Cc1ccc(NC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)cc1Cl 67240088 ZEIQBAYRIGIIPT-UHFFFAOYSA-N 376.247 3.776 0 40 GHAB Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)cc2s1 7242112 FRSQUBVSTAHNLY-AWEZNQCLSA-N 396.516 3.880 0 40 GHAB CCc1ccc([C@@H](C)NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 83823620 JTHIHWWWDPUUSN-CYBMUJFWSA-N 394.924 3.595 0 40 GHAB CC(C)c1ccccc1OCC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9709137 ABORQHLPBHROHL-UHFFFAOYSA-N 377.448 3.816 0 40 GHAB Cc1cc(NC(=O)COC(=O)CSc2ccc(F)cc2)n(-c2ccccc2)n1 8327243 IICWSXMXDMKJAE-UHFFFAOYSA-N 399.447 3.594 0 40 GHAB c1cncc(-c2cnc3ncn(C4CCN(Cc5cccs5)CC4)c3n2)c1 306131860 KRHVIOBUYZADSS-UHFFFAOYSA-N 376.489 3.787 0 40 GHAB CCc1ccc([C@H](NS(=O)(=O)c2c(C)noc2C)c2cccs2)cc1 17332548 GLPIPGAXFOTMFP-KRWDZBQOSA-N 376.503 3.983 0 40 GHAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccccc1C(=O)N1CCCCC1 70701982 ZFPNYTSYEFEJQD-LJQANCHMSA-N 378.428 3.553 0 40 GHAB Cc1nc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)sc1C 71279486 NDFGXZLMDVLATB-UHFFFAOYSA-N 399.925 3.596 0 40 GHAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C=C/c1ccc2c(c1)OCO2 61972685 ZRDIFRNPSUOGLU-VQHVLOKHSA-N 392.436 3.895 0 40 GHAB Cn1nc(C(F)(F)F)cc1C(=O)Nc1cnn(Cc2ccccc2Cl)c1 28238691 GXOGXOXEHLGUKF-UHFFFAOYSA-N 383.761 3.589 0 40 GHAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 306139996 UGKFTUPZUOJXOQ-IFMALSPDSA-N 394.471 3.643 0 40 GHAB COc1cccc(-n2ccn3c(SCc4ccc(Cl)cc4)nnc3c2=O)c1 64593647 SBAFHKWKCOQVLI-UHFFFAOYSA-N 398.875 3.835 0 40 GHAB Cc1cc(O)nc(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@H]32)n1 408545530 ZLZDQERGOKLVMA-HIFRSBDPSA-N 383.498 3.585 0 40 GHAB COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3cccs3)n2)cn1 35425221 KDRNYVBTTMLVFO-INIZCTEOSA-N 385.493 3.589 0 40 GHAB biogenic,in-vitro COc1cccc(CCc2nnc(NC(=O)c3n[nH]c4ccc(C)cc34)s2)c1 36752726 DEIZOOIEXUZSFD-UHFFFAOYSA-N 393.472 3.769 0 40 GHAB O=C(Cc1ccccc1Cl)NCCc1nc(C2CC2)cc(C(F)(F)F)n1 77101141 MMKINLLAEOJTII-UHFFFAOYSA-N 383.801 3.928 0 40 GHAB CCOc1ccc(NC(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1 35423939 XVEAMYMXWWJQRO-UHFFFAOYSA-N 390.443 3.614 0 40 GHAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)/C=C/c1cc(OC)ccc1OC 32969369 CDVMYGDEQIESOC-VSRDTVRMSA-N 397.471 3.796 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1ccccc1OC(C)C)CC(O)=N2 31818953 LYKWGIFJSWEJHV-AWEZNQCLSA-N 379.420 3.587 0 40 GHAB CCCC(=O)N1CCN(CCC)C(=O)[C@H]1Cc1ccc(-c2cccnc2)cc1 72351896 QTRWXGBHMKEKQA-OAQYLSRUSA-N 379.504 3.541 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(F)cc3)ccc21 35588110 XSCJOOKSYGGCHH-UHFFFAOYSA-N 376.497 3.509 0 40 GHAB O=C1Nc2cc(F)ccc2[C@@]12CC(O)=Nc1c2cnn1Cc1ccccc1Cl 32093043 NNZCMHHJWLZHAS-HXUWFJFHSA-N 396.809 3.954 0 40 GHAB C[C@]12CC[C@H](C[C@@H]1C(=O)NCc1cccs1)[C@@]1(C2)NC(=O)c2ccccc2O1 72339004 TUBSUMCPLNXBMM-YFNREYABSA-N 396.512 3.709 0 40 GHAB Cc1nn(C)cc1CN1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 72371465 CNAICARGPPTTLQ-INIZCTEOSA-N 399.926 3.716 0 40 GHAB Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224884748 GNOXMTPANRGCAE-ZWKOTPCHSA-N 384.892 3.956 0 40 GHAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1cc2c(cc1OC)CCCC2 225818654 NJPUZMSZMZFBFU-LJQANCHMSA-N 394.581 3.507 0 40 GHAB COc1cccc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 223880744 LDQBNDYUVIJSPW-UHFFFAOYSA-N 375.837 3.885 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 225574318 VHIVOXNHFKUVPG-OAHLLOKOSA-N 390.886 3.964 0 40 GHAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)c1 224392571 VRVJGFBSORCWBY-NSHDSACASA-N 387.860 3.677 0 40 GHAB Cc1cc(S(=O)(=O)NCCc2ccc([C@@H](C)O)s2)c(Cl)cc1Cl 225689133 JROYPOBOYODAQG-SNVBAGLBSA-N 394.345 3.938 0 40 GHAB COc1cccc(NC(=O)[C@H](CCSC)NC(=O)c2ccc(Cl)cc2)c1 41157445 QSBLRGFXZSTXGR-KRWDZBQOSA-N 392.908 3.839 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cccc(C)c1 222932653 ALRNGJXXBJFVMY-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(/C=C\C(=O)OC)cc1OC 98004211 UJAGSQHLKDNQAB-BMOGTNHUSA-N 399.443 3.686 0 40 GHAB c1ccc2c(c1)CN(Cc1nccs1)CC21CCN(CCN2CCCC2)CC1 96242488 VRZQBIQOWYLUCA-UHFFFAOYSA-N 396.604 3.588 0 40 GHAB Cc1ccc([S@@](C)(=O)=NC(=O)C2(N(C)C(=O)OC(C)(C)C)CCC2)cc1 1598171436 IWOGLLYKCDKMHV-AREMUKBSSA-N 380.510 3.768 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)c1cnc(OC2CCOCC2)c(Cl)c1 253471477 CSNUFIVCRYVMEO-UHFFFAOYSA-N 399.878 3.747 0 40 GHAB CC(=O)N1CCCCC[C@@H]2N(C(=O)c3ccnn3C)[C@H](c3ccccc3)C[C@@]21C 257321719 WCXMYHDUYIBPTK-FUDKSRODSA-N 394.519 3.557 0 40 GHAB CCN(c1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1)S(=O)(=O)CC 260512493 WXSKZDLMGCCDSW-QGZVFWFLSA-N 388.533 3.614 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)c2)c1 260572620 JUCBQMRYSKEMFD-FTRWYGJKSA-N 384.501 3.714 0 40 GHAB CS(=O)(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1 29161864 ZDRLSYZGNSRYOV-JXMROGBWSA-N 384.379 3.729 0 40 GHAB CCc1onc(C)c1-c1nc(NCCc2ccncc2)ncc1-c1cnccn1 72337528 KZMQQUPBDYUVKK-UHFFFAOYSA-N 387.447 3.509 0 40 GHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1c(C)nn(Cc2ccccc2)c1C 57638370 RNHKERKYIRDVCU-UHFFFAOYSA-N 391.471 3.939 0 40 GHAB CCOc1ccc(/C=C/C(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC 936364 QEBWWHYJTYGBPS-FMIVXFBMSA-N 399.487 3.873 0 40 GHAB COc1ccc2c(CSc3nnc(Cc4cccs4)n3C)cc(=O)oc2c1 5579623 NUODGCJSZAZZRA-UHFFFAOYSA-N 399.497 3.875 0 40 GHAB COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1Br 5701910 PTVKMUNVQDUDBJ-UHFFFAOYSA-N 391.265 3.547 0 40 GHAB C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)Cc1ccccc1F 12084984 IJLJFIWSTZOFOT-LBPRGKRZSA-N 379.357 3.942 0 40 GHAB COc1ccc(OC)c2c1cc(C(=O)N1CCn3cccc3[C@H]1C(C)C)n2C 12148690 HEHYAGKYHXQFJD-HXUWFJFHSA-N 381.476 3.850 0 40 GHAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)CCC(=O)c2ccccc2)c1 14404578 FGVZKHCEDGYICW-UHFFFAOYSA-N 390.443 3.880 0 40 GHAB Cc1cc(C(F)(F)F)nc(SCC(=O)NCc2cccc(OC(C)C)c2)n1 19118857 IIXYUBKVWNRMLP-UHFFFAOYSA-N 399.438 4.000 0 40 GHAB O=C(Cn1c(=O)oc2cc(Cl)ccc21)N[C@H](c1ccccc1)c1cccnc1 19369564 VWLIDEDEZGNKRF-HXUWFJFHSA-N 393.830 3.549 0 40 GHAB COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)CC(C)C)CCNC1=O 19446491 LGBARKBNGSDQMS-IBGZPJMESA-N 394.515 3.525 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCN(Cc2cccnc2)C1 19591763 OJIPYRSUYSHEJL-VWLOTQADSA-N 385.511 3.929 0 40 GHAB O=C(c1cccnc1)N1CC[C@@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 19696372 IUCCATSRFGYEIK-OAHLLOKOSA-N 382.851 3.667 0 40 GHAB Cc1cccc(-c2nnc(NC(=O)CC[C@@H]3C(=O)Nc4ccccc43)s2)c1 19714397 WFJPBJFFYYSAHU-HNNXBMFYSA-N 378.457 3.968 0 40 GHAB Cc1nc(C2CCN(C(C)C)CC2)nc2c1CCC(=O)N2CCc1ccccc1 19739258 HRJJCRIGHWDBLD-UHFFFAOYSA-N 392.547 3.895 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(C)cc2)c1 6788770 OLEGACJEJBQDQT-UHFFFAOYSA-N 381.881 3.898 0 40 GHAB Cn1cc(-c2ccc(CCNC(=O)c3cc(Br)cs3)s2)cn1 1889201565 LNZFYXOMHSAZQS-UHFFFAOYSA-N 396.335 3.945 0 40 GHAB C[C@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)c1ccc2c(c1)CCC2 23266282 UXTFZYOVALVOHT-AWEZNQCLSA-N 378.403 3.928 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3conc3-c3ccc(F)cc3)cc2)CC1 2037850083 RXIDHEHLSSCTSF-UHFFFAOYSA-N 394.450 3.875 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 2037978098 APYQYCCAACQPCN-UTKZUKDTSA-N 398.526 3.625 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c([nH]c3ccccc32)c1=O 2720604 WEHZGKMJIBEGQL-UHFFFAOYSA-N 398.875 3.799 0 40 GHAB COc1cc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCC3)c2cc1OC 4315665 KCVKUFSYQODSGY-UHFFFAOYSA-N 398.484 3.685 0 40 GHAB CC(C)C(=O)Nc1sc(SCC(=O)NC2CC2)nc1-c1ccccc1 12442978 JKPUTSYAQDRDPL-UHFFFAOYSA-N 375.519 3.775 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)Cc3ccccc3Cl)n2)cc1 13801430 XOUIYTQCVYNIKF-UHFFFAOYSA-N 395.890 3.621 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2ccccn2)nn1 16959564 CFMUGVNVCIFVOJ-UHFFFAOYSA-N 386.864 3.931 0 40 GHAB CCOc1ccc(C(=O)NCC2CCN(Cc3ccco3)CC2)cc1OCC 23128023 JSNVEHHPIAGGOW-UHFFFAOYSA-N 386.492 3.719 0 40 GHAB COCCn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cc(OC)ccc21 100873127 VLBSRJCVNOUBJV-ZZEZOPTASA-N 376.865 3.752 0 40 GHAB Fc1ccc2ncnc(NC3CCN(c4cc(C(F)(F)F)ncn4)CC3)c2c1 575616753 MNJRXUNYIZBDBH-UHFFFAOYSA-N 392.360 3.659 0 40 GHAB CCCn1c(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)nc2ccccc21 40122740 OEMQHGVHOGMAHH-UHFFFAOYSA-N 377.448 3.983 0 40 GHAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1 30510524 SGRPDIMGHPGXLK-UHFFFAOYSA-N 396.578 3.722 0 40 GHAB CSc1nc(C(C)C)nc(C)c1C(=O)OCC(=O)NC1CCCCCC1 31475967 QQVJOTGEKNQTNZ-UHFFFAOYSA-N 379.526 3.626 0 40 GHAB C[C@H](NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1 100759491 YOYVKUKPZQPAAZ-DZKIICNBSA-N 387.936 3.557 0 40 GHAB O=C(O)[C@H]1CCCN(c2ccc(Sc3ccc(Br)cc3)nn2)C1 33268132 PWEPZQIRRKDJDC-NSHDSACASA-N 394.294 3.691 0 40 GHAB in-vitro Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 894344 LVEIYERXFGKWIX-UHFFFAOYSA-N 388.880 3.778 0 40 GHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(Cl)cc1 950605 ITXDLOBINUWNPQ-SFHVURJKSA-N 380.835 3.921 0 40 GHAB O=C(c1cc(-c2ccccc2)on1)N1CCN(Cc2cccc(F)c2F)CC1 23237071 ADYFDECRRFPBKZ-UHFFFAOYSA-N 383.398 3.578 0 40 GHAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)cc1 40484532 BJGRUPMDLPABGS-GOSISDBHSA-N 395.850 3.868 0 40 GHAB NC(=O)c1cc(Cl)ccc1OCC(=O)NC1c2ccccc2-c2ccccc21 11190069 OSTRPQIJUUOKFB-UHFFFAOYSA-N 392.842 3.704 0 40 GHAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCC(C)C 11118151 IOABIGBMHNEYOF-UHFFFAOYSA-N 386.517 3.587 0 40 GHAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1ccc(Br)cc1 869821 BDYAROXQYAIQOL-UHFFFAOYSA-N 388.187 3.792 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br 1017051 ACBKARFLBWLKTB-DTWKUNHWSA-N 379.092 3.894 0 40 GHAB COc1cccc(OC)c1NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1C 1341851 LKIATJOZFULGTA-MRXNPFEDSA-N 383.448 3.647 0 40 GHAB Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4sccc4C)CC3)n2)cc1 36763197 SJXYMHCADGVUFQ-MRXNPFEDSA-N 396.516 3.934 0 40 GHAB CN(CC(=O)Nc1ccccc1Cc1ccccc1)S(=O)(=O)c1ccccc1 36753686 TWZDPWINFZNKIL-UHFFFAOYSA-N 394.496 3.537 0 40 GHAB CCOC(=O)[C@H](C(C)=O)[C@@H](C)[C@@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3846302 PFRRINIMSRUQHA-JNYDFHNISA-N 396.524 3.600 0 40 GHAB CCCCN(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 4856174 IRQINAVTIPFICS-MRXNPFEDSA-N 385.430 3.763 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2Cl)cc1 6235009 MPOKJNAEQZKDQN-UHFFFAOYSA-N 380.897 3.978 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2c(F)cccc2Cl)c1 20856339 YHQMZCSFRWDLON-UHFFFAOYSA-N 378.787 3.753 0 40 GHAB O=C(Nc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898300 CEFKLTFEMFNFLC-UHFFFAOYSA-N 392.908 3.521 0 40 GHAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1cccc(Br)c1 7634430 AFVDMMRKNRKPPF-NSHDSACASA-N 388.217 3.962 0 40 GHAB O=C(CN1C(=O)c2ccccc2Oc2ncccc21)Nc1cccnc1Cl 101367045 IBKPJFYXONDJGQ-UHFFFAOYSA-N 380.791 3.521 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3nc4cc(Cl)ccc4n3C)CC2=O)cc1 60211235 HFHDQYVGGKQHCN-CYBMUJFWSA-N 382.851 3.527 0 40 GHAB CCOc1ccc(-n2nc(C(=O)O)nc2-c2ccc(Br)cc2)cc1 8730814 AEXXYYSHLAZFOD-UHFFFAOYSA-N 388.221 3.794 0 40 GHAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2nccs2)CC1 21335564 OKJQBGHSLKEVHA-LBPRGKRZSA-N 375.885 3.730 0 40 GHAB CC(C)n1cnnc1SCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 32769169 UXNOKOKYIDXQKI-UHFFFAOYSA-N 392.488 3.929 0 40 GHAB CN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 32795500 SKUIGWDVLBDKJT-LBPRGKRZSA-N 393.306 3.522 0 40 GHAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1Sc1ccccc1 102400788 MVWSUKLMSVHKLG-IAGOWNOFSA-N 394.496 3.952 0 40 GHAB CNC(=O)c1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1 32972147 HCLICIXWQIYHHJ-UHFFFAOYSA-N 394.452 3.798 0 40 GHAB CS(=O)(=O)c1nc2ccccc2n1Cc1csc(-c2ccsc2)n1 21839363 FAOSEJBWOUTZKL-UHFFFAOYSA-N 375.500 3.673 0 40 GHAB CC(=O)c1ccc(OCCCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 7719429 LFIXXDNOUZQRQJ-UHFFFAOYSA-N 398.850 3.921 0 40 GHAB CC(=O)Nc1cccc(OC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1 59289232 GRVQAWZHHGWIFM-SFHVURJKSA-N 394.471 3.720 0 40 GHAB CC(C)(CNC(=O)c1ccc(Br)o1)N1CCc2ccccc2C1 25461074 KZCUOUKKTYCBMZ-UHFFFAOYSA-N 377.282 3.609 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cnc(Cl)c(Cl)c2)cc1 3257724 HRKNWCUZMNXVPT-VIFPVBQESA-N 396.230 3.531 0 40 GHAB Cc1ccc(-n2c(S[C@H](C)C(=O)NC3CC3)nnc2-c2ccccn2)c(C)c1 53841371 KMCBRFNFJGWRKC-OAHLLOKOSA-N 393.516 3.705 0 40 GHAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1N(C)C1CCN(C)CC1 955769 QRJYUDCUWJCLHS-UHFFFAOYSA-N 395.425 3.961 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 12541919 NNYJLPAYSQBJRH-UHFFFAOYSA-N 397.378 3.701 0 40 GHAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100642586 VBGSDXCUDCUKCY-JMSVASOKSA-N 393.896 3.699 0 40 GHAB Cc1ccc(SCC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(C)c1 12506896 XXQQQUQIWLAROL-UHFFFAOYSA-N 379.485 3.999 0 40 GHAB CCOC(=O)c1c(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)sc(C)c1C 23660459 FKFPSUOCOALFGY-UHFFFAOYSA-N 399.472 3.663 0 40 GHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 20490720 WZUXMSIRLJEUTG-LBPRGKRZSA-N 396.896 3.601 0 40 GHAB COc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1OC 1397074 MZMRABUHBMLQJR-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB S=c1n(CN2CCC[C@@H]2c2cccnc2)nc(N2CCCCC2)n1C1CC1 24976114 FJPCFGBESXEEJS-GOSISDBHSA-N 384.553 3.929 0 40 GHAB CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 27662059 LBUJPNDKAHVLLR-IBGZPJMESA-N 388.895 3.542 0 40 GHAB COc1ccc(C2(CNC(=O)c3cccc(-n4cccc4)c3)CCOCC2)cc1 56451999 WGNKMOJBJQPOAY-UHFFFAOYSA-N 390.483 3.964 0 40 GHAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 107493526 UMIFCJYFTAZKTN-BMGDILEWSA-N 388.389 3.731 0 40 GHAB CN(C)C(=O)c1cccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 43990977 PKIGIUPFAFRYQE-MRXNPFEDSA-N 392.459 3.941 0 40 GHAB COc1cc(OC)c(NC(=O)c2cc(OC)c(OC)cc2OC)cc1Cl 2069691 BCFLETJREFWDKD-UHFFFAOYSA-N 381.812 3.635 0 40 GHAB O=C(Nc1ccccc1-n1cccn1)N1CCN(c2cccc(Cl)c2)CC1 48150325 XPTYZQUBTWIZAE-UHFFFAOYSA-N 381.867 3.880 0 40 GHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccn1 10193750 WGRXWEARWKGEBA-AWEZNQCLSA-N 399.447 3.513 0 40 GHAB O=C(OCc1nc2ccc(Cl)cc2n1CCO)c1cc2c(s1)CCC2 3359367 PPBKRMBYTOUESD-UHFFFAOYSA-N 376.865 3.589 0 40 GHAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)N[C@@H]1C[C@H]2CC[C@H]1C2 408583521 VLYXFARRYBFRSQ-MNEUYUFRSA-N 387.549 3.934 0 40 GHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Cn2cncn2)cc1 10817137 RYONVCSLIJIXRK-UHFFFAOYSA-N 378.766 3.834 0 40 GHAB O=C(Nc1ccccn1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 48347502 YPDMVUHRFRTOSH-UHFFFAOYSA-N 379.489 3.555 0 40 GHAB CCCCCC[C@@]1(C)NC(=O)N(C[C@@H](O)COc2c(C)ccc(C)c2C)C1=O 12889654 GIYJLDUIVYZVTJ-XMSQKQJNSA-N 390.524 3.632 0 40 GHAB O=c1c2cc(Cl)ccc2ncn1C[C@@H](O)COc1cc(Cl)ccc1Cl 12852533 UDFHFYOXQWCLEP-GFCCVEGCSA-N 399.661 3.797 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1OCC 3441846 MNGGYHIAKSBCSM-UHFFFAOYSA-N 379.359 3.558 0 40 GHAB C[C@H](NC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccccc2)c[nH]1)c1ccccc1 12967963 RSKWWTJDSFGNOO-JKSUJKDBSA-N 397.500 3.545 0 40 GHAB Cc1sc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)nc1-c1ccc(F)cc1 12979327 IOMAOZZUWUWENP-UHFFFAOYSA-N 395.415 3.736 0 40 GHAB CCCCCCOc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3n2)cc1 3649198 RCQBGOALTODYQM-JXAWBTAJSA-N 395.484 3.918 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H](c1cccs1)N(C)C 13024289 VDHQUWLTRLRBIV-KRWDZBQOSA-N 386.496 3.722 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1 13004306 FCAYCFBIPMXPQW-IBGZPJMESA-N 399.516 3.512 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CN3CCC[C@H]3c3ccc(C)cc3)ccc21 13009025 HODJNHBATSMRFG-NRFANRHFSA-N 377.488 3.680 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2oc3ccccc3c2CSC)CC1 13010290 OASNDGMWVJCKBM-UHFFFAOYSA-N 376.478 3.647 0 40 GHAB Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccncc4)c(C)c3cc2c1C 4000224 YEANAQGUWKUURB-UHFFFAOYSA-N 376.412 3.718 0 40 GHAB biogenic CC(C)c1ccc(CN(C(=O)/C=C/c2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 5047091 KEQZVWGAJISMRL-JBVUFVISSA-N 387.501 3.632 0 40 GHAB CCOC(=O)COc1ccc2c(C)c(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 4340193 IHMXHOJGYGINCK-UHFFFAOYSA-N 398.411 3.728 0 40 GHAB biogenic COc1ccc(OCCCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 4562980 NACSRWROEVUNLD-OAQYLSRUSA-N 397.471 3.591 0 40 GHAB COc1ccccc1[C@H]1C(C(=O)Nc2ccc(Cl)cc2)=C(C)Nc2ncnn21 4705320 AKCFSIFVMXSYDH-SFHVURJKSA-N 395.850 3.868 0 40 GHAB Cc1sc2nc(COC(=O)c3cc(Cl)cc(Cl)c3N)[nH]c(=O)c2c1C 5694996 ZHFZNUCXFYFOLR-UHFFFAOYSA-N 398.271 3.847 0 40 GHAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cccnc1Cl 6875685 HCQYEDPLYISSMW-UHFFFAOYSA-N 391.909 3.929 0 40 GHAB COc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OCCOC(C)C)c3C)C2)cc1 4910613 VJNNKTYAJZVTBJ-INIZCTEOSA-N 385.460 3.826 0 40 GHAB CCCN(CCC)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CCC(C)C 67237996 JPGKDZIUDFPPFJ-UHFFFAOYSA-N 392.569 3.820 0 40 GHAB FC(F)(F)CN(Cc1ccccc1)C(=S)NCc1ccc2c(c1)OCO2 7014711 KXEGOHMDRHCXST-UHFFFAOYSA-N 382.407 3.854 0 40 GHAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N[C@@H](C)C(=O)O)n2)cc1 7498913 MCYZSQALYBMAKK-AWEZNQCLSA-N 378.436 3.861 0 40 GHAB COc1cccc(-c2nc(CC(=O)Nc3ccc(NC(C)=O)cc3)cs2)c1 8762022 MSHVWEHLVUVUFH-UHFFFAOYSA-N 381.457 3.958 0 40 GHAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nncs2)C12CCCC2 71281843 CNLCXWQVNAVRBI-MRXNPFEDSA-N 384.505 3.829 0 40 GHAB O=C1CSc2ccc(C(=O)NCC3(N4CCCCC4)CCCCC3)cc2N1 9762421 FXVFPAXDXFPETQ-UHFFFAOYSA-N 387.549 3.649 0 40 GHAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 61717905 JOQVHQKFSVTBFJ-VNQPRFMTSA-N 384.863 3.549 0 40 GHAB Brc1cncc(-c2nn3c(COc4ccccc4)nnc3s2)c1 9481163 GCGGAJUCHYLGNK-UHFFFAOYSA-N 388.250 3.589 0 40 GHAB Cc1cc(Br)c(O)c(C(=O)NC[C@@H](c2cccs2)N(C)C)c1 84074623 PJUKKWGFOWZLAF-ZDUSSCGKSA-N 383.311 3.557 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1NC(C)=O 408559719 XWAMOXGSZKZTMZ-UHFFFAOYSA-N 382.869 3.806 0 40 GHAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1CCCCN1Cc1ccccc1 95400371 UEXBHVRJKJKWNW-HXUWFJFHSA-N 379.460 3.636 0 40 GHAB Cc1ccc(C[C@@H]2CCCN2C(=O)c2c(F)ccc(S(C)(=O)=O)c2F)cc1 79072050 RZRGJOICFMESGM-HNNXBMFYSA-N 393.455 3.524 0 40 GHAB Cc1nn(C)c(C)c1[C@H](NCC(=O)Nc1cccc(Cl)c1C)C(F)(F)F 89537167 HNQAUTLKISAPIU-INIZCTEOSA-N 388.821 3.830 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c1 28260620 VBESWDSROZDNKM-UHFFFAOYSA-N 377.462 3.826 0 40 GHAB O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 28206533 UCZXADDRTWQDSF-UHFFFAOYSA-N 378.453 3.690 0 40 GHAB CC(F)(F)[C@@]1(O)CC(c2ccc(Cl)cc2)=NN1C(=O)COc1ccccc1 409005122 ZHQKMHMBDWTOSU-IBGZPJMESA-N 394.805 3.699 0 40 GHAB C[C@@H]1[C@@H](N2CCOCC2)Oc2cc3c(cc2[C@H]1c1ccc(Cl)cc1)OCO3 73292141 MTZMFRTXAVZTJP-DYXDTQHNSA-N 387.863 3.887 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1Cl 216372651 DJUYPHUIQNEUEC-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB COc1ccc(NC(=O)N2CC3(CCCC3)[C@@H]2C(C)C)cc1S(C)(=O)=O 563797919 GRLADEYQLFXRGI-KRWDZBQOSA-N 380.510 3.531 0 40 GHAB Cc1nc2ccc(OC(=S)N3CCN(c4ccccc4)CC3)cc2nc1C 33914826 JFKHKKMZQJLOHQ-UHFFFAOYSA-N 378.501 3.733 0 40 GHAB CCN(C[C@H]1COc2ccccc2O1)C(=O)NCCc1cccc2[nH]ccc12 558680084 SWBVWSUXICGEGT-KRWDZBQOSA-N 379.460 3.582 0 40 GHAB C[C@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)NCC(F)(F)F 79408086 HUALJALDHPVRST-QMMMGPOBSA-N 375.441 3.729 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 72345909 UNHXXFYKSDHUCL-QGZVFWFLSA-N 376.435 3.885 0 40 GHAB CCn1nc(C)c2c(C(=O)Nc3cnn(Cc4ccccc4C)c3)cc(C)nc21 32611684 CWWYUSBUDRPSTD-UHFFFAOYSA-N 388.475 3.874 0 40 GHAB Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)CCc2ccccc2)ccn1 72357483 IODOPVXVEFLGQE-LJQANCHMSA-N 375.476 3.740 0 40 GHAB C[C@H]1CN(Cc2ccc(CNc3nccc(C(F)(F)F)n3)cc2)C[C@H](C)O1 30001575 DPWIXLPHMMVFKI-KBPBESRZSA-N 380.414 3.717 0 40 GHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2cccs2)no1 219325943 OSGKUMHYHIEDEN-ZDUSSCGKSA-N 377.853 3.925 0 40 GHAB Cc1ccc(OCC(=O)Nc2nn3c(C4CCCCC4)nnc3s2)c(C)c1 41108812 VDPGFPFWMLQZEH-UHFFFAOYSA-N 385.493 3.868 0 40 GHAB C[C@H]1Cc2ccccc2N1CCCNC(=O)COc1cccc2c1CCCC2 225784042 NRHIQNLFQHGLAZ-SFHVURJKSA-N 378.516 3.902 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 224739565 QLCSQCPSIHLOBV-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccc(C(F)(F)F)cc1 49007600 ZZQZIJOEDXQBRR-UHFFFAOYSA-N 378.379 3.736 0 40 GHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223870862 QNGGAXBRFAFGPG-VQIMIIECSA-N 389.517 3.742 0 40 GHAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224394826 YKSUNPIQXIARRT-UXHICEINSA-N 396.491 3.846 0 40 GHAB CCCNC(=S)Nc1nc(N2CCc3ccccc3C2)cc(C(F)(F)F)n1 225887061 QGYICJVKOKHARU-UHFFFAOYSA-N 395.454 3.755 0 40 GHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 223711019 LKMHIBJUYQAFBK-JKSUJKDBSA-N 395.937 3.722 0 40 GHAB COc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)CC1 44842305 FFILEDJLUYIXHE-LJQANCHMSA-N 382.504 3.737 0 40 GHAB COc1ccccc1OC[C@H](C)NC(=O)COc1cccc(C(F)(F)F)c1 225814832 MDTMXVUGMUQZST-ZDUSSCGKSA-N 383.366 3.677 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1 223147995 BBHOLDKQWWICPY-IBGZPJMESA-N 388.895 3.581 0 40 GHAB COc1ccc(NC(=S)NCc2nc(-c3cccs3)no2)c2cccnc12 225827991 LSZJBIMMFCSTAF-UHFFFAOYSA-N 397.485 3.842 0 40 GHAB CCOC(=O)c1ccc2[nH]c(-c3cc(Br)c(O)c(OC)c3)nc2c1 85398426 KNFIUFFBQWRRJT-UHFFFAOYSA-N 391.221 3.883 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1 222967017 SBVPODIWQDOMRA-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C 224547595 VZHYMVIGIIAHAG-QFIPXVFZSA-N 396.531 3.798 0 40 GHAB O=S(=O)(Cc1ccccc1)N1CCC[C@]2(CCCN2CC2CCCC2)C1 96071350 DSTWWHGAHXUMFU-OAQYLSRUSA-N 376.566 3.637 0 40 GHAB COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)[nH]n2)cc1 98212529 KWYDCFBDHADMDV-UHFFFAOYSA-N 390.487 3.665 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NC[C@@H](c1ccco1)N1CCSCC1 245039179 OJBFMGLXGRRFJV-KRWDZBQOSA-N 376.909 3.853 0 40 GHAB Cc1ccc(C)c([C@H](O)CN2[C@H]3CC[C@H]2CC(O)(c2ccc4c(c2)OCO4)C3)c1 247838742 OOVCIYXDMCYYKP-IRFCIJBXSA-N 395.499 3.580 0 40 GHAB COCC(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2cc(C)no2)CC1 257247823 JARMQUHLWIOIJP-WKILWMFISA-N 386.496 3.600 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cn1 257244623 IMCYBAGVTJPTSB-INIZCTEOSA-N 380.423 3.523 0 40 GHAB Cc1ccccc1Cc1cccc([C@@H]2CN(Cc3cn(C)nc3C)CCO2)n1 257227012 FNGGHFVWCLVWOF-QHCPKHFHSA-N 376.504 3.596 0 40 GHAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 260572589 HFJFZYPHBZMHSQ-NJSLBKSFSA-N 388.464 3.545 0 40 GHAB COc1ccccc1OCC(=O)N1CCC(CSCc2ccco2)CC1 90608364 HCUYSNUIMBJYEW-UHFFFAOYSA-N 375.490 3.839 0 40 GHAB CCc1nc(CN2C[C@@H](C(=O)O)[C@H](c3ccc(Br)cc3)C2)cs1 652507073 UODTURWOCOVVMK-LSDHHAIUSA-N 395.322 3.768 0 40 GHAB O=C(NCCc1cccc(-c2ccccc2)c1)NCc1cccnc1-n1cccn1 675530607 JFHARPBAJGVHKE-UHFFFAOYSA-N 397.482 3.976 0 40 GHAB Cc1cc(C(=O)N2CCN(C(=O)Nc3cccc4c3CCCC4)CC2)c(C)o1 48052410 MBWCYLLDTFMNKD-UHFFFAOYSA-N 381.476 3.765 0 40 GHAB CCn1cc(C2CCN([C@@H](C(=O)O)c3ccccc3Br)CC2)cn1 659786930 QFUAQHUBASYXGD-QGZVFWFLSA-N 392.297 3.671 0 40 GHAB Cc1ccc(C)c(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615124104 UYDYTSLTVVRCFW-QHCPKHFHSA-N 382.479 3.841 0 40 GHAB Cc1nn(C)cc1CCC(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615154468 GMDRSKGGFBIIHA-HSZRJFAPSA-N 398.526 3.850 0 40 GHAB COc1ccc(C2=NO[C@@H](C(=O)Nc3ccccc3C(F)(F)F)C2)cc1OC 5031183 RXJGYWRHRVYQDR-QGZVFWFLSA-N 394.349 3.854 0 40 GHAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCCC4)[C@@H]3C2=O)cc1 5443319 PCPBOQMHDAXSPD-HNJRGHQBSA-N 377.440 3.655 0 40 GHAB CCS(=O)(=O)c1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1 11038820 WRCJILCKMJFJQJ-UHFFFAOYSA-N 387.288 3.838 0 40 GHAB Cn1ccnc1C1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1-c1ccccc1 12114553 GSUBEWXCYXHHCD-QRQCMCJISA-N 387.483 3.742 0 40 GHAB Cc1ccc(NC(=O)CN(C)CCC(=O)Nc2ccc(Cl)cc2F)cc1 12796128 OOVPOIZFAOZUHK-UHFFFAOYSA-N 377.847 3.687 0 40 GHAB CCc1cccc(N2C[C@@H](C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)CC2=O)c1 13019687 ZLFAJFYCAQOTLW-HNNXBMFYSA-N 399.878 3.852 0 40 GHAB Cc1[nH]c2ccc(C(=O)O[C@@H](C(=O)N3CCOCC3)c3ccccc3)cc2c1C 14109688 KPSDYMDZIDSVCT-OAQYLSRUSA-N 392.455 3.542 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N(CC)CC 14399630 YNGDPMAVUCCQGG-FQEVSTJZSA-N 384.476 3.973 0 40 GHAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc21 15867517 XRKIHCXEBAQJJY-UHFFFAOYSA-N 391.880 3.848 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3ccccc3)c2)cc1 17357575 VJJUBRNIMYEPHL-UHFFFAOYSA-N 394.496 3.768 0 40 GHAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccccc1Cl)C2 19017414 HEIADNWWCJCKDK-FQEVSTJZSA-N 384.911 3.762 0 40 GHAB CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccn3)CC[C@H]21 19086090 NKYPNBFWGQSYON-YPAWHYETSA-N 381.495 3.693 0 40 GHAB Cc1cccc(O[C@@H](C)c2nnc(NC(=O)[C@@H]3CN4CCC3CC4)s2)c1C 19235680 XPZRZGNRYNRLQG-GOEBONIOSA-N 386.521 3.575 0 40 GHAB COCCCN(Cc1ccc2c(c1)C[C@@H](C)O2)C(=O)c1cn2ccc(C)cc2n1 19238156 MZCDUXHADXKYHE-QGZVFWFLSA-N 393.487 3.645 0 40 GHAB Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)Cc2cccc(F)c2)n1 19290059 IXNKNTAPXXZKKK-HXUWFJFHSA-N 378.451 3.918 0 40 GHAB O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)[C@@H]1CCCO1 19332821 JWAKBCGJSVFDGY-IBGZPJMESA-N 376.928 3.521 0 40 GHAB CC(C)c1nccn1CCC(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 19454467 BHYDEULQPZABCV-GOSISDBHSA-N 378.480 3.545 0 40 GHAB COc1cccc(CN2CCC[C@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)c1 19496753 DGGGXPGCZCYIGU-IBGZPJMESA-N 397.519 3.935 0 40 GHAB Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2nc1C 8366804 MWRMAYKLNWMSGZ-HXUWFJFHSA-N 389.455 3.995 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC1CCN(Cc2nc3c(s2)CCC3)CC1 1888962004 QOCRCDSKSDIUOG-UHFFFAOYSA-N 394.544 3.562 0 40 GHAB C[C@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1ccc(-n2cccn2)cc1 244947565 DMLKXCIJYBBYAB-OAHLLOKOSA-N 381.457 3.528 0 40 GHAB O=C(c1c(F)cccc1F)N(c1cccc(Cl)c1)[C@@H]1C=CS(=O)(=O)C1 5070690 MJGJSZKLNLHYRM-CYBMUJFWSA-N 383.803 3.576 0 40 GHAB O=C(c1cccs1)N1CCN(C(=S)c2cccc(Br)c2)CC1 12420691 FWLXBFCZTBXRPA-UHFFFAOYSA-N 395.347 3.644 0 40 GHAB Cc1ccccc1OCC(=O)N(CCn1cccn1)c1nc2ccccc2s1 23144714 GXLWGMCIRUQJGX-UHFFFAOYSA-N 392.484 3.913 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@](O)(c1ccco1)c1cccs1 225589640 KAXMBPWGBRAFLH-KRWDZBQOSA-N 397.905 3.517 0 40 GHAB COc1ccc2c(c1)s/c(=N/C(=O)c1ccc(Br)s1)n2C 12139815 LANWFYQLBDCJOZ-JQIJEIRASA-N 383.292 3.814 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)c2nnn(-c3cccc(Cl)c3)c2N)cc1 21658308 LSEULLCOLQPIJA-UHFFFAOYSA-N 390.896 3.633 0 40 GHAB Cc1nccn1[C@H]1C[C@H]2CN(C3CCCCC3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242514 DKNYDVLRTUIYDH-YHELAOLJSA-N 381.524 3.645 0 40 GHAB O=C(NCc1ccccc1OC(F)F)c1cccc(NC(=O)c2cccnc2)c1 40086848 PGJQDRIVSOGXMW-UHFFFAOYSA-N 397.381 3.865 0 40 GHAB COc1ccc(CCN2C(=S)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1OC 100032000 DFPNTDTXNOWTSC-HRAATJIYSA-N 384.501 3.676 0 40 GHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NCCc4cccs4)cc3c2C1 20057222 GDOWJZUPNOTEBC-CQSZACIVSA-N 396.512 3.870 0 40 GHAB Cc1cccc(C)c1OC1CCN(C(=O)NCc2cccc3c2OCO3)CC1 50126082 DHQXGKDJCGJRPZ-UHFFFAOYSA-N 382.460 3.785 0 40 GHAB CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nc2ccccc2c1=O 7081080 CCWIOWLMPZSYJQ-SFHVURJKSA-N 379.485 3.528 0 40 GHAB COc1ccc2[nH]cc([C@H](O)CN3CCN(C/C=C/c4ccccc4)CC3)c2c1 20324399 SPCHUMRESOMODO-GGXQVSFTSA-N 391.515 3.541 0 40 GHAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3cccc(Cl)c3)nn1C)C2 32094236 XNAGFFCKXPJCGY-UHFFFAOYSA-N 383.835 3.914 0 40 GHAB CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@H](C)C3 4935301 ZUCMKEPTFJWDPE-LBPRGKRZSA-N 393.578 3.563 0 40 GHAB COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c1 4944660 DZCCXIJBYLZDJZ-INIZCTEOSA-N 399.830 3.689 0 40 GHAB C[C@@H]1CCCCN1C(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 4986581 SOEYBRBQDBDNCJ-QGZVFWFLSA-N 375.472 3.945 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nc2ccccc2o1 7883700 MCHJEVQSULTIRD-UHFFFAOYSA-N 384.457 3.740 0 40 GHAB O=C(CSCc1ccccc1Br)NCCCN1CCCCC1 10276992 YJTBHNUFHSOUAZ-UHFFFAOYSA-N 385.371 3.675 0 40 GHAB C[C@H](OC(=O)c1cccnc1SC(F)F)C(=O)N1CCCc2ccccc21 32860292 HLRZUJIZCNLOTI-LBPRGKRZSA-N 392.427 3.921 0 40 GHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)NC[C@H](C)c1ccccc1 32908161 BSNBDCFOYUCPKK-ZDUSSCGKSA-N 383.517 3.877 0 40 GHAB C[C@@H](NC(=O)CNc1cccc(C(=O)N(C)C)c1)c1ccc(Cl)cc1Cl 29966449 DAPWJANSPYAKOS-GFCCVEGCSA-N 394.302 3.985 0 40 GHAB Cc1ccc2c(c1)[C@]1(Nc3ccccc3C(=O)N1CCc1ccccc1)C(=O)N2 643417 KGCZUWNYOPGWAF-XMMPIXPASA-N 383.451 3.911 0 40 GHAB CCOc1cc2c(cc1/C=C1/NC(=O)N(c3ccc(Cl)cc3)C1=O)OCO2 665574 YTEQSXHBABHMKQ-VGOFMYFVSA-N 386.791 3.565 0 40 GHAB CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C1CCCCC1 22409563 WPIFQEZNYKGGPC-HNNXBMFYSA-N 398.956 3.532 0 40 GHAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(-c2ccccc2)cc1 57439737 HIIBUWYNQJYUBX-UHFFFAOYSA-N 387.483 3.820 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c(OC)c1 59227208 YEVUUFNUTOMPCP-CYBMUJFWSA-N 388.851 3.657 0 40 GHAB Cc1cc(C)n(CCCNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)n1 23246518 HRCWRLWRIBPQIT-UHFFFAOYSA-N 382.512 3.769 0 40 GHAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 23623928 HILWWJWCHYLFTM-UHFFFAOYSA-N 394.496 3.980 0 40 GHAB CSc1nccn1-c1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1 42768009 JFDQVBBNXBLCBV-UHFFFAOYSA-N 379.489 3.842 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)Cc1nc2cc(Cl)ccc2n1C 43273078 MKSHQRHPQHRHKQ-UHFFFAOYSA-N 377.275 3.951 0 40 GHAB C[C@H](NC(=O)[C@@H](C)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1 22929527 UGKUHBUHVTWWFU-JKSUJKDBSA-N 391.968 3.785 0 40 GHAB c1nc(NCc2ccc(CN3CCOCC3)cc2)c2c3c(sc2n1)CCC3 25539700 YRMZNBKSGQZSDC-UHFFFAOYSA-N 380.517 3.624 0 40 GHAB CCOC(=O)[C@](NC(=O)c1ccco1)(Nc1cccc(Cl)c1)C(F)(F)F 3103579 UFCDDZQVULUUDH-OAHLLOKOSA-N 390.745 3.597 0 40 GHAB COc1ccc(-c2nc(Cn3nnc(-c4cccc(F)c4)n3)cs2)c(OC)c1 27594606 JBNXHKFQSAWYMO-UHFFFAOYSA-N 397.435 3.668 0 40 GHAB CCOc1cccc(-c2nn3c(Cc4ccc(OC)c(OC)c4)nnc3s2)c1 10311776 VTHIYSIHPHLCAX-UHFFFAOYSA-N 396.472 3.860 0 40 GHAB Cc1ccc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1F 12759558 CLRHKXCZZRDDDB-UHFFFAOYSA-N 381.407 3.948 0 40 GHAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 10513428 QMIDWNPLEITGGM-QGZVFWFLSA-N 395.427 3.652 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1c(C)cc(C)cc1C 28189646 ZWVHFVOGYSQSMB-UHFFFAOYSA-N 391.518 3.934 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1 12751679 IVDCSDAKMREXTQ-QGZVFWFLSA-N 395.503 3.687 0 40 GHAB O[C@H](CNCc1cc(Br)c2c(c1)OCO2)c1ccc(Cl)cc1 58667514 MNLSFATUEMGTGL-CQSZACIVSA-N 384.657 3.654 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1C 12755810 FUIPHUGWQVKHPQ-UHFFFAOYSA-N 395.434 3.785 0 40 GHAB COc1cc([C@H](C)NC(=O)Cn2nnc3ccccc32)ccc1OC1CCCC1 48340424 FKNNQGYWQPEOEE-HNNXBMFYSA-N 394.475 3.639 0 40 GHAB O=C(NCCOc1ccc(Cl)cc1)Nc1cccc(CN2CCCC2=O)c1 48373912 RFXOLMQEBCSIRW-UHFFFAOYSA-N 387.867 3.663 0 40 GHAB CCN(C(=O)CCNC(=O)c1ccc(F)cc1F)c1nc2ccccc2s1 12850553 QBCCODAOMYQKPG-UHFFFAOYSA-N 389.427 3.748 0 40 GHAB Cc1ccccc1NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 12889940 WFURFCPXKJJXEB-UHFFFAOYSA-N 392.425 3.560 0 40 GHAB COc1ccc(CN(C)C(=O)CSc2ccc(C(C)=O)cc2F)cc1F 12804755 BUFCSPIXONXWSQ-UHFFFAOYSA-N 379.428 3.927 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1F 12809519 SGWOTDFKCFXPOJ-IAGOWNOFSA-N 383.467 3.812 0 40 GHAB O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 12905631 SDHPXAWLKBPJGX-ZANVPECISA-N 392.830 3.944 0 40 GHAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)NCc1ccccc1 28237537 PSLXWPKGSUHPTQ-SNVBAGLBSA-N 390.203 3.850 0 40 GHAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCCO2 5116517 KVZHLFSHKGZLOR-UHFFFAOYSA-N 382.199 3.560 0 40 GHAB Cn1cc(COC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cn1 39973521 JDPUTFZXATUPCK-UHFFFAOYSA-N 378.457 3.750 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@@H](C)NC(=O)Cc1cccc2ccccc12 14240972 JETOHEDZSYXXRU-MRXNPFEDSA-N 376.456 3.843 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)CCOc2ccccc2F)c1C 14252102 SEIARXDTBLQIFG-HNNXBMFYSA-N 390.455 3.529 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(O)cc1)N(C[C@H]1CCCO1)C3=O 16741804 CHBFSNIWHLXWAH-UZLBHIALSA-N 391.423 3.531 0 40 GHAB Cc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccccc3)o2)cc1C 408562154 NLTNPNBCQRHLGC-UHFFFAOYSA-N 378.428 3.844 0 40 GHAB Cn1c(SCc2cc3c(cc2Br)OCO3)nnc1-c1ccco1 6880325 PVSNUGCISUYYAL-UHFFFAOYSA-N 394.250 3.859 0 40 GHAB COc1cc([C@@H]2CC(=O)Nc3[nH]nc(Nc4ccccc4)c32)cc(OC)c1OC 15086027 SQIPGKOWSILHFN-AWEZNQCLSA-N 394.431 3.653 0 40 GHAB COc1cccc(-n2c(SCC(=O)c3ccc[nH]3)nc3ccccc3c2=O)c1 4979298 SUWTZGCDGIFHBO-UHFFFAOYSA-N 391.452 3.697 0 40 GHAB O=C(NC1CCCCCC1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 8429828 DPHOSGOLCTXJGI-UHFFFAOYSA-N 389.521 3.620 0 40 GHAB CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(CS(C)(=O)=O)o2)o1 83825441 YSBLNIRYSTVISD-MRXNPFEDSA-N 379.478 3.737 0 40 GHAB C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)NC1CCCC1 22019887 VYZNSGCTTCSUIM-NSHDSACASA-N 382.580 3.794 0 40 GHAB Cc1sc2nc(COC(=O)CCC(=O)c3cccs3)nc(N)c2c1C 8746927 QTJLLWIIPJFWOM-UHFFFAOYSA-N 375.475 3.658 0 40 GHAB O=C(Nc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@@H]1c1cc(F)ccc1F 89813921 LSLLJFFVIYZHEJ-IEBWSBKVSA-N 386.442 3.664 0 40 GHAB O=C1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)CN1c1ccc(Cl)cc1 9318035 PEXAKSBBSKEJPT-GFCCVEGCSA-N 383.791 3.639 0 40 GHAB CC(C)Oc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 408628112 UJESSXLBIUGFLU-UHFFFAOYSA-N 396.896 3.532 0 40 GHAB CN(C)CC[C@@H](NC(=O)c1cccc(OCc2cscn2)c1)C(C)(C)C 72286470 ZXPBIGXUMSJSFU-GOSISDBHSA-N 375.538 3.818 0 40 GHAB COc1cccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c1 72329234 NSEMWNFFUGCDIT-ZDUSSCGKSA-N 381.432 3.594 0 40 GHAB Cc1cc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)o3)n2)c(F)cc1F 95963646 MZUCWKJQKIHOAS-UHFFFAOYSA-N 398.412 3.646 0 40 GHAB Cc1ccc(/C=C/S(=O)(=O)N(CCO)c2ccc(Br)cc2)cc1 79102992 DKOFFKQSAXGDPJ-JLHYYAGUSA-N 396.306 3.557 0 40 GHAB COc1ccc2c(c1)c(C(=O)N1CCC(O)(c3ccc(Cl)cc3)CC1)cn2C 79477477 VJVLVVUHTBELLX-UHFFFAOYSA-N 398.890 3.964 0 40 GHAB Cc1cccc(CN2C[C@@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@H]3C2)n1 306124539 BTIRPXYHHIPDBC-CTNGQTDRSA-N 396.537 3.874 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccccc2OC)CC1 30866142 BDZITCXBKYRGBK-NRFANRHFSA-N 382.504 3.818 0 40 GHAB CCc1ccc(OCC(=O)Nc2cc(C(C)C)ccc2O)c(-n2cnnc2)c1 32646883 LEHNRSKVJKHSJW-UHFFFAOYSA-N 380.448 3.676 0 40 GHAB Cc1ccccc1COc1ccc(/C=C\C(N)=O)cc1I 409416211 HDRYBNRNDRGHJD-CLFYSBASSA-N 393.224 3.677 0 40 GHAB O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(N2C(=O)CCC2=O)cc1 32994577 JKLKDHSDGWXOEO-UHFFFAOYSA-N 380.488 3.676 0 40 GHAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(C(=O)c2scnc2C)C1 72359034 OXDOVKITXDIUSO-OAHLLOKOSA-N 394.500 3.937 0 40 GHAB OCCCOc1cc(C(F)(F)F)nc2ccc(I)cc12 556290081 DQNGORRJDBJNGW-UHFFFAOYSA-N 397.134 3.619 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 32109702 XEUXYZLNFNDMQG-PKTIUJEHSA-N 390.244 3.687 0 40 GHAB CC1(C)[C@@H]2CC=C(CN3CCC[C@H]([C@@H]4C[C@H](C(F)F)n5ncnc5N4)C3)[C@H]1C2 72341393 NDJIUGRAAGKUEC-OBVSXPTNSA-N 391.510 3.973 0 40 GHAB Cc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 36801051 MMUGZJGMZDXCSE-UHFFFAOYSA-N 388.423 3.906 0 40 GHAB O=C(CN1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1)Nc1nccs1 72358593 MVSVCZYFBBQYTI-OAHLLOKOSA-N 397.479 3.557 0 40 GHAB O=C(CCC(=O)N1CCC(c2noc3ccc(F)cc23)CC1)NC1CCCC1 40266342 UUZYZIYZLRXSGK-UHFFFAOYSA-N 387.455 3.512 0 40 GHAB O=C(NCC(F)(F)F)c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1 40062785 IFDAVPUYLKBDGR-UHFFFAOYSA-N 380.341 3.788 0 40 GHAB Cc1cc(OCC(=O)NCc2ccc(Cl)cc2)nc(N2CCCCCC2)n1 44170242 HHOSRPCQKMKZSJ-UHFFFAOYSA-N 388.899 3.514 0 40 GHAB Cn1c(=O)cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c2ccccc21 72325479 SFQHUDYPVVLPSZ-UHFFFAOYSA-N 379.847 3.646 0 40 GHAB biogenic Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)nc2)cc1 72211563 OSASCDABGQRYID-HNNXBMFYSA-N 381.295 3.678 0 40 GHAB CCN(c1ccc(C(=O)NCCSC2CCCCC2)cc1)S(=O)(=O)CC 222394690 VPXURUIJMWODSD-UHFFFAOYSA-N 398.594 3.658 0 40 GHAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1 224166122 HFZLRZXBZAJOSR-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB Cc1cccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 222712306 SNEXUIXYDACPIQ-GOSISDBHSA-N 382.504 3.706 0 40 GHAB CCn1c(=O)sc2cc(NC(=O)CCCOc3ccc(OC)cc3)ccc21 225098323 QKQZQQWNGLIBCX-UHFFFAOYSA-N 386.473 3.889 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)N(c1ccc(OCC)cc1)S(C)(=O)=O 223707311 UVZNIBDJOZVIES-IAGOWNOFSA-N 398.569 3.572 0 40 GHAB CCN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)CC1 224927819 CFNNQEGADCBZNI-UHFFFAOYSA-N 379.435 3.925 0 40 GHAB CC(C)CSc1nnc(NC(=O)c2ccc(N3CCCC3=O)cc2)s1 225605918 CEYDNUKQDNKYRV-UHFFFAOYSA-N 376.507 3.665 0 40 GHAB CO[C@]1(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)CCC[C@H](C)C1 225634477 NUHHPCPZTRPWRZ-HTAPYJJXSA-N 388.508 3.612 0 40 GHAB C[C@@H]1CCCCN1c1cc(N2CCCC2)nc(NC(=S)NC(C)(C)C)n1 225894027 KFKJGMTVPBORIP-CQSZACIVSA-N 376.574 3.541 0 40 GHAB Cn1c([C@H]2CCCN2C(=O)c2ccc3c(c2)C(C)(C)CO3)nc2c1CCCC2 574445591 LEGPWTSXQFXJIK-LJQANCHMSA-N 379.504 3.946 0 40 GHAB O=C(Cc1cccc(Br)c1)Nc1ccccc1C(=O)N1CCCC1 194776391 MHTAGYYHJKORFI-UHFFFAOYSA-N 387.277 3.866 0 40 GHAB COCC(=O)n1nc(Nc2ccccc2OC)cc1Nc1ccccc1OC 575442922 JEPSQSHWWUVTFX-UHFFFAOYSA-N 382.420 3.674 0 40 GHAB CN(Cc1ccncc1)C(=O)c1ccc(Cl)c(I)c1 47851401 JUNBEGIKHKOADZ-UHFFFAOYSA-N 386.620 3.612 0 40 GHAB C[C@H](O)CNCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 96318713 VJBVAAZINFMTJD-KRWDZBQOSA-N 382.479 3.618 0 40 GHAB Cc1ccc(C(=O)N2C[C@@H](C(=O)Nc3cccc(F)c3)C3(CCOCC3)C2)cc1 96078661 GTFKXLNHBAPTJZ-FQEVSTJZSA-N 396.462 3.642 0 40 GHAB O=C(NCc1cccs1)N1CCC(Oc2ncccc2Br)CC1 96097000 RVSFMLQLMRWYJP-UHFFFAOYSA-N 396.310 3.659 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(Cl)cc1Cl 243526753 OAZIDMURRNGBFU-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB COc1cccc(CC(=O)N2CCC3(CC2)C[C@@H](N(C)c2ccccc2)CO3)c1 257319979 VUVJCFKYAAMBMD-OAQYLSRUSA-N 394.515 3.524 0 40 GHAB CCOC[C@]1(N)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252514318 CFQISRVUFFPHTG-ZCNNSNEGSA-N 393.936 3.576 0 40 GHAB Cc1cc([C@H]2CCCCN2C(=O)c2cscn2)nc(-c2c(C)noc2C)n1 257289878 QAOBUTOKKPGVDH-MRXNPFEDSA-N 383.477 3.881 0 40 GHAB O=C(Cn1c(C2CCCCC2)nc2ccccc21)N1CC[C@H](OC(F)F)C1 585080628 UAEKHJCINPIYCM-HNNXBMFYSA-N 377.435 3.924 0 40 GHAB CC(C)(C)C(=O)N1CCC(Cc2cc(-c3cccc(C(=O)O)c3)ncn2)CC1 257247795 JANUNHGAJLOQHN-UHFFFAOYSA-N 381.476 3.669 0 40 GHAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)c3cccc(F)c3)C2)cn1 257302985 SFHGGSFTJRFDAI-OAHLLOKOSA-N 380.423 3.592 0 40 GHAB CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1 617466270 BKBMLFVDEWALFN-VIFPVBQESA-N 392.424 3.765 0 40 GHAB O=C(O)c1cccnc1CN1CCC(c2ccccc2Br)CC1 652437607 XZGCKUAAHQVVHY-UHFFFAOYSA-N 375.266 3.922 0 40 GHAB CCOC(=O)c1ccc2c(c1)NCC21CCN(C(=O)OCc2ccccc2)CC1 51943330 BONDVXGYZXUHGT-UHFFFAOYSA-N 394.471 3.959 0 40 GHAB Cc1cc(-c2nsc(C(Cl)(Cl)Cl)n2)c(S(C)(=O)=O)s1 4481618 KKCZQQIZISCSOR-UHFFFAOYSA-N 377.727 3.805 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)/C=C/c2cccc(Br)c2)n1 3293264 VCHDBJFOXLZKKI-VOTSOKGWSA-N 395.278 3.663 0 40 GHAB CCc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)no1 12276635 FZNXOZGMXMXEHV-SFHVURJKSA-N 377.448 3.533 0 40 GHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccco3)c2)cc1 15617794 UDMIAZQIXCADGO-UHFFFAOYSA-N 398.484 3.685 0 40 GHAB CCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1 16756968 OCKLIIGWSPCOLF-UHFFFAOYSA-N 376.869 3.906 0 40 GHAB Cc1ccc([C@H](C)C(=O)N2CCc3nc([C@H]4CCCCN4C)ncc3C2)cc1 19136137 GWIBRNVPNKFWLL-LAUBAEHRSA-N 378.520 3.630 0 40 GHAB Cc1cccc2c(C[C@H](C)NC(=O)C[C@@H](C)n3nnc4ccccc43)c[nH]c12 19236595 OWQQIRJGNIWIJZ-JKSUJKDBSA-N 375.476 3.920 0 40 GHAB COc1ccc(CN2C[C@@H](c3cc(=O)[nH]c(C)n3)[C@H](c3ccccc3F)C2)cc1 19285535 LYIPQNQPEPGDHB-VQTJNVASSA-N 393.462 3.609 0 40 GHAB Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)CN2CCCCCC2)c1C 19558151 FMSLTGODFGKPCV-LJQANCHMSA-N 399.539 3.622 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccccn3)cc2N1 19574791 AQLUEALZFCENLH-KCPJHIHWSA-N 379.386 3.563 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1 100743925 SJQAGYMUEBWFHQ-IYBDPMFKSA-N 385.512 3.552 0 40 GHAB Cc1cc(C)c2cc(CNc3ccc(N4CCC[C@@H](O)C4)cc3)c(=O)[nH]c2c1 12088306 NJNKMKCYESIUIY-HXUWFJFHSA-N 377.488 3.718 0 40 GHAB CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)c1ccc(F)cc1)c1ccccc1O2 12086554 WRCSQDCMBUZNDZ-WMZHIEFXSA-N 396.462 3.851 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(C2SCCS2)cc1 21589231 VCTUHLCIFZBZEA-UHFFFAOYSA-N 387.530 3.649 0 40 GHAB COC(=O)C1(NC(=O)CCCOc2ccc(Br)cc2)CCCCC1 25170071 XVYQALJYMPLTPZ-UHFFFAOYSA-N 398.297 3.600 0 40 GHAB C[C@H]1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)Nc2ccccc2)co1 4304334 XVODATNMYAUCMF-INIZCTEOSA-N 390.439 3.609 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C(C)C 5099451 VLZUSUMSWUESKL-UHFFFAOYSA-N 382.460 3.891 0 40 GHAB Cc1ccccc1-n1nnc(-c2nsc(NC(=O)c3cccc(F)c3)n2)c1C 6914632 QZNRCXXAEFBMJD-UHFFFAOYSA-N 394.435 3.794 0 40 GHAB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3ccc(F)c(F)c3)c(=O)c12 7424055 FNADWWJOXQKWCY-UHFFFAOYSA-N 380.354 3.553 0 40 GHAB O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1cccnc1)c1ccccc1 8979384 ORQSXWYKAADESC-INIZCTEOSA-N 392.484 3.527 0 40 GHAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1 8977402 DPQMVWUDGDWWAW-UHFFFAOYSA-N 398.528 3.906 0 40 GHAB CN(C)CCN(C(=O)C1CCCCC1)c1nc2cc3c(cc2s1)OCCO3 12140821 PCCNEMZIKBVAEJ-UHFFFAOYSA-N 389.521 3.542 0 40 GHAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccc3ccccc3c2)[nH]c(=O)c1C 12127081 QERCEBMPUFXTCD-UHFFFAOYSA-N 399.454 3.855 0 40 GHAB COc1ccc(Cl)cc1N1C[C@H](c2nc(-c3cccs3)no2)CC1=O 12416209 IZVFDANILSZFGH-SNVBAGLBSA-N 375.837 3.981 0 40 GHAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccn(C)n3)nc12 13667725 OKFNRCIGMRVMNY-UHFFFAOYSA-N 393.472 3.671 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCS[C@H](c2cccs2)CC1 219554434 XFTRKDBFUQIIIQ-KRWDZBQOSA-N 381.544 3.552 0 40 GHAB COc1ccc(C(=O)CNC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1 225528253 DOTRBEDBMCWCQN-UHFFFAOYSA-N 389.407 3.673 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H](O)c1ccc(-c2ccsc2)o1 575609379 BGAMYQCEMMJSGZ-OYLQIYHASA-N 383.425 3.600 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@H](O)c2ccc(-c3cccs3)s2)cc1 585148244 UCEVDOVRMMORHR-AWEZNQCLSA-N 387.482 3.727 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1 8977171 VTMZZYTXQFQEIJ-UHFFFAOYSA-N 396.468 3.587 0 40 GHAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nccs4)CC3)o2)cc1 40033831 AZYVURWOCSJAIV-UHFFFAOYSA-N 381.457 3.568 0 40 GHAB CSc1ccc(CN(C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 40104706 KCJUWVJDDMYELE-UHFFFAOYSA-N 399.516 3.545 0 40 GHAB O=C(Nc1ccc(OCCS(=O)(=O)Oc2ccccc2)cc1)c1ccccc1 30596988 HJCWDWDQTIVMLL-UHFFFAOYSA-N 397.452 3.727 0 40 GHAB O=C1c2cc[nH]c2CC[C@@H]1N1CCN(C(c2ccccc2)c2ccccc2)CC1 20219222 DSZFPFDPEPAIMR-QHCPKHFHSA-N 385.511 3.919 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 10951597 HFQXPDLYVNAQJA-WHEQGISXSA-N 392.407 3.553 0 40 GHAB COc1cccc2[nH]c3c(N4CCN(c5ccc(F)cc5)CC4)ncnc3c12 2440639 WZSPUOWZWGSJNN-UHFFFAOYSA-N 377.423 3.585 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)n2C)cc1 916549 YOKCKNBURDTRBL-IYBDPMFKSA-N 388.537 3.584 0 40 GHAB O=C(Cc1ccc(Br)cc1)Nc1cccc(N2CCOC2=O)c1 31928066 UVEQRYVPBUTMNY-UHFFFAOYSA-N 375.222 3.587 0 40 GHAB C[C@@H](CNC(=O)c1csc(Br)c1)N1CCc2sccc2C1 31961542 RMICDEZNVJIEPQ-JTQLQIEISA-N 385.352 3.749 0 40 GHAB COc1ccc(C(=O)CSc2nnc(C)n2-c2ccc(C)cc2)c(OC)c1 4835916 WCQGHJZKIJBIDM-UHFFFAOYSA-N 383.473 3.876 0 40 GHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1cccnc1Cl 6549453 LQEWGUWKTMWXQL-UHFFFAOYSA-N 385.880 3.924 0 40 GHAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 6779191 YPTUIPGUSHXWSK-APWZRJJASA-N 388.533 3.545 0 40 GHAB Cc1cccc(C)c1NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 6876374 GXKVVNOSURCJIM-UHFFFAOYSA-N 380.400 3.842 0 40 GHAB Nn1c(CCC2CCCCC2)nnc1SCC(=O)Nc1ccc(F)cc1F 7140210 SVIFBFDVKBKEOB-UHFFFAOYSA-N 395.479 3.514 0 40 GHAB Cc1ccc2nc(CSCC(=O)Nc3cc(Cl)ccc3C)cc(=O)n2c1 7145788 UBTNRSFXIOCYCJ-UHFFFAOYSA-N 387.892 3.837 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 7667188 PILZVJLWBMGSNA-GFCCVEGCSA-N 378.881 3.611 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 7872031 AFTMASOUJIWXEU-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB CCN(c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O 10008550 QHXGZCOYGHOICP-UHFFFAOYSA-N 386.395 3.744 0 40 GHAB O=C(c1cc2c(s1)CCCCCC2)N1CCCN(C[C@@H]2CCCO2)CC1 46048774 NRBYHSYDELQKRT-SFHVURJKSA-N 376.566 3.734 0 40 GHAB COc1ccc(NC(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)cc1 8157568 MWLTUBAQBJZUMA-UHFFFAOYSA-N 382.386 4.000 0 40 GHAB COCCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cccc(C)c2C)n1 8476613 SYBGXVTWXDYCJK-UHFFFAOYSA-N 398.894 3.971 0 40 GHAB COc1cc(CNC[C@H](C)O)cc(Br)c1OCc1ccccc1 8497877 AONOAGZFRXAGIU-ZDUSSCGKSA-N 380.282 3.507 0 40 GHAB Cc1ccccc1OCc1nn(CC(=O)N[C@H]2CCCC[C@H]2C)c(=S)o1 8571590 CERKIGRULPWGEX-HIFRSBDPSA-N 375.494 3.788 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc2nc(-n3cccc3)sc2c1 11865962 GYJLUZTYXKBJCJ-KRWDZBQOSA-N 391.452 3.513 0 40 GHAB O=C(CCSc1ccc(Cl)cc1)NC1CCN(C(=O)c2ccco2)CC1 32893769 MXCJTZIYOTYYPS-UHFFFAOYSA-N 392.908 3.836 0 40 GHAB O=C(O)c1ccc(CNS(=O)(=O)c2ccc(-c3cccc(F)c3)s2)cc1 32918468 STJQNDBSLGECOC-UHFFFAOYSA-N 391.445 3.731 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc2c(s1)CCCC2 2637014 AHQRBNVNWAPTFD-UHFFFAOYSA-N 389.473 3.788 0 40 GHAB O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 2636392 XGGVLWHXNJQLBM-UHFFFAOYSA-N 396.877 3.725 0 40 GHAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 33226862 GSYKCSMTLAGWJR-PXNSSMCTSA-N 392.499 3.820 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccccc2Br)o1 22246445 UZCLKNHHQAVPMB-DGCLKSJQSA-N 384.295 3.986 0 40 GHAB Cc1nc(SCCN2C(=O)c3ccccc3C2=O)c2c3c(sc2n1)CCC3 710215 KFUIYOUFVDLYAY-UHFFFAOYSA-N 395.509 3.877 0 40 GHAB C[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1ccnc2ccc(Cl)cc12 57810284 ACQAOSMWXURCCY-CQSZACIVSA-N 384.863 4.000 0 40 GHAB CCc1cccc(CC)c1N(COC)C(=O)Cn1c([C@@H](C)O)nc2ccccc21 888774 VFEQPDFBYXLXSL-MRXNPFEDSA-N 395.503 3.852 0 40 GHAB O=C(Cc1cnn(-c2ccccc2)c1)OCc1cc(Cl)c2c(c1)OCCCO2 23345264 PGRCLKFTAMEZHC-UHFFFAOYSA-N 398.846 3.973 0 40 GHAB CC(C)NC(=O)Nc1ccccc1NC(=O)c1cncc(Br)c1 47375336 BNIIGMYRNNIJKZ-UHFFFAOYSA-N 377.242 3.626 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1ccccc1O2 35327290 SKYVYTTZZHKPSG-UHFFFAOYSA-N 380.425 3.870 0 40 GHAB Cc1ccccc1Cn1nc(C)c(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3C)c1C 102012606 HLKNZVDOOBQPTC-PMACEKPBSA-N 397.592 3.768 0 40 GHAB C[C@@H]1Oc2ccc(N[C@H](C(=O)N3CCCCC3)c3ccccc3)cc2NC1=O 12550596 PGMOTMBIHWFDQJ-YWZLYKJASA-N 379.460 3.572 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CC(=O)N(C)c3cccc(Cl)c3)n2)cc1C 57427536 AQOHJYQADPVGPS-UHFFFAOYSA-N 381.863 3.844 0 40 GHAB Cc1noc(C)c1COc1ccc(C(=O)OCc2nnsc2Cl)cc1 22030538 AVVMOQQEOOENMY-UHFFFAOYSA-N 379.825 3.732 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 27224759 RQUPVYAMHJMLTO-UHFFFAOYSA-N 384.439 3.980 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)NCC(=O)Nc3c(C)cccc3C)o2)cc1 10042749 VAHNJSNKWRGHBA-UHFFFAOYSA-N 391.471 3.954 0 40 GHAB CCOc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1 27662036 RWWUTDSHZVRKCA-FQEVSTJZSA-N 388.895 3.542 0 40 GHAB Cc1nc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)nn1-c1ccc(F)cc1 45197822 BWAFFFHYJMUQJE-UHFFFAOYSA-N 386.377 3.798 0 40 GHAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Br)c1 12630543 NCNNVUMMRHLEDC-UHFFFAOYSA-N 390.642 3.602 0 40 GHAB O=C(O)c1cccc(N2C(=O)/C(=C\c3nc4ccccc4[nH]3)SC2=S)c1 2340653 YJAGKAKQSFHYKI-NTEUORMPSA-N 381.438 3.667 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)NCc3ccc(C(=O)N(C)C)cc3)ccc2c1 12775681 CPUYSOJJSIXSIH-INIZCTEOSA-N 390.483 3.970 0 40 GHAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1cn(-c2ccccc2)nc1C 12821395 NFOJMFUPRPGBOD-HXUWFJFHSA-N 388.427 3.607 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)cc1Cl 3430904 AGMOSFCCPSURFE-UHFFFAOYSA-N 389.622 3.846 0 40 GHAB C[C@@H]1C[C@H](Sc2nnc(COc3ccccc3Cl)n2C2CC2)C(=O)O1 8323876 QYBNMGCUZYPSGL-YGRLFVJLSA-N 379.869 3.642 0 40 GHAB Cc1ccc(S(=O)(=O)N2N=C(C3CCCCC3)C[C@]2(O)C(F)(F)F)cc1 4199222 ISGVFDATXQRGAS-INIZCTEOSA-N 390.427 3.577 0 40 GHAB CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccs1 4337788 OSWNWMHKDDFXMF-MRXNPFEDSA-N 388.876 3.615 0 40 GHAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O 4306837 RWFUIEZBYODTHU-XMMPIXPASA-N 397.434 3.971 0 40 GHAB Cc1ccc(OCC(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 8587445 NJCDSJYYJRBFSJ-UHFFFAOYSA-N 388.221 3.825 0 40 GHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 65477733 ADFNPENYABNUSX-LEWJYISDSA-N 395.522 3.680 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)N3c4ccccc4C[C@@H]3C)c(C)c2c1 4524953 WKOUTUABYSTSRX-ZDUSSCGKSA-N 379.412 3.884 0 40 GHAB O=c1[nH]c2ccccc2n1CCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 6586718 UQVQPBZLPDZODL-UHFFFAOYSA-N 385.880 3.951 0 40 GHAB COc1ccc(C(=O)COC(=O)c2nc(-c3ccccc3)oc2C)cc1OC 5537115 MMVWSVFFXXOVHE-UHFFFAOYSA-N 381.384 3.707 0 40 GHAB O=C(Nc1ccccc1N1CCCC1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 6653519 GUOYFTBKZALIEQ-KRWDZBQOSA-N 397.906 3.927 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(OC)cc1OC 4778592 NSEGEZYJWSXGFH-AJICJQNESA-N 390.524 4.000 0 40 GHAB CCc1ccc(NC(=O)[C@H]2Sc3nnc(CC)n3N[C@H]2c2ccccc2)cc1 6811828 IRHJTHCDSAUXGE-OALUTQOASA-N 393.516 3.801 0 40 GHAB Cc1nc(SCN2C(=O)c3ccccc3C2=O)c2c3c(sc2n1)CCC3 6888552 XORZPXIVVJWKSK-UHFFFAOYSA-N 381.482 3.834 0 40 GHAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccc(-n2cnnc2)n1 21721100 WDPDNEUPWCFTCJ-UHFFFAOYSA-N 382.383 3.723 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)Nc3nnc(C(C)(C)CC)s3)CC2=O)cc1 4976691 WADCYOVAECATER-CQSZACIVSA-N 386.521 3.780 0 40 GHAB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 15350377 QENSIGLAJLQUMI-PKOBYXMFSA-N 380.488 3.956 0 40 GHAB COC(=O)c1ccc(CNC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)cc1 8709082 AVWJUNPCYOBIHG-UHFFFAOYSA-N 392.455 3.994 0 40 GHAB C[C@@H](Sc1nc2ccsc2c(=O)n1Cc1ccccc1)C(=O)N1CCCC1 8777111 QYSHWRYITZBFLI-CQSZACIVSA-N 399.541 3.609 0 40 GHAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F 8746400 RJBWXKKETIAJGS-FQEVSTJZSA-N 395.459 3.780 0 40 GHAB CCN(C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 7630951 IVBSQFWINPQMBH-JQWIXIFHSA-N 396.361 3.510 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cnc(C)cn1)CC2 7979407 OAIUWNWKOIIOLX-QFIPXVFZSA-N 389.455 3.590 0 40 GHAB O=C1CCc2cc(S(=O)(=O)Oc3ccc(Cl)c4cccnc34)ccc2O1 27530704 CLVWXARAJMPYLH-UHFFFAOYSA-N 389.816 3.508 0 40 GHAB Cc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(Cl)cc1 9236492 BYPSKOKADVOEOX-IRXDYDNUSA-N 399.907 3.946 0 40 GHAB Cc1sc(NC(=O)[C@H](C)NC(=O)c2ccco2)nc1-c1ccc(F)c(F)c1 25447463 UQXSUPYFYWDBMA-VIFPVBQESA-N 391.399 3.747 0 40 GHAB Brc1ccc(C2(c3nc(-c4ccccn4)no3)CCOCC2)cc1 71890031 KOUWOQDRDZNCDO-UHFFFAOYSA-N 386.249 3.991 0 40 GHAB COc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)cc1 306142230 WUDZTUKKSFDMMR-HSZRJFAPSA-N 393.462 3.873 0 40 GHAB Cc1cccc(C2(CNC(=O)Cn3c(=O)cnc4ccccc43)CCCCC2)c1 71932247 LWLZZVPJESOIPH-UHFFFAOYSA-N 389.499 3.723 0 40 GHAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccnn2C2CCCCC2)CC1=O 72102544 UGDOBFYHXDDSRU-MRXNPFEDSA-N 396.491 3.697 0 40 GHAB Cc1ccc(-n2cc(C(=O)N[C@H](C)CC[S@](C)=O)c(-c3ccccc3)n2)cc1 78994486 WAWHDBLHDMUZPE-JYRCXFKTSA-N 395.528 3.735 0 40 GHAB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NC[C@@H]1CCCS1 79093340 HLSSEXLAZKLIEB-SFHVURJKSA-N 389.904 3.962 0 40 GHAB Cc1cc(C)c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2n1 27028717 ZUBAWOCOFWRAAK-UHFFFAOYSA-N 382.276 3.779 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(F)cc3)C(=O)[C@@H]2C1 408681399 JGZARESEVFCGGX-SJLPKXTDSA-N 378.403 3.924 0 40 GHAB COC(=O)CNCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1 38268680 SLAOTPLLYBJKKI-UHFFFAOYSA-N 380.444 3.534 0 40 GHAB in-vitro CC(C)(C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccccc1 69297674 NKZJOUOXGHSKQX-OBGWFSINSA-N 394.496 3.817 0 40 GHAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C(=O)NCc1ccccc1)c1cccc(F)c1 35312799 ZSOJELWQXUFZRU-SEJPIABJSA-N 395.478 3.851 0 40 GHAB CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 72378922 ZVBYMUDBLQTWGZ-GOSISDBHSA-N 392.478 3.918 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)c1 41184941 OWDVRSCIYHGJCP-UHFFFAOYSA-N 384.823 3.920 0 40 GHAB O=C(CCC(=O)c1ccccc1)NCCc1ccc(F)c(Br)c1 48356002 PRRMOSDVBKXJFR-UHFFFAOYSA-N 378.241 3.910 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)N1CCCCC1 198921576 ZZPOBILTRBKGFS-UHFFFAOYSA-N 380.444 3.613 0 40 GHAB COc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 222565619 KUNBWNWUJMRNPU-IRXDYDNUSA-N 383.488 3.925 0 40 GHAB CC(C)c1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 225945672 ARRQZECEHRYCFN-SFHVURJKSA-N 378.469 3.568 0 40 GHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 222976472 OBXCOKHFBVWRMW-HNNXBMFYSA-N 388.895 3.792 0 40 GHAB COCc1nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2[nH]1 44920296 TWBFQEJCKRKPDS-UHFFFAOYSA-N 386.260 3.817 0 40 GHAB CC1(C(=O)Nc2ccc(OC3CSC3)cc2)COC(c2ccccc2)OC1 225915159 ADIVBXBJLFACGY-UHFFFAOYSA-N 385.485 3.871 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)cc1C 96225189 JBNLIOUYOOXPTA-HSZRJFAPSA-N 391.471 3.693 0 40 GHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C[C@H]2CCOC2)C1 248289313 JALDVPLLLKZRIJ-WZONZLPQSA-N 398.503 3.566 0 40 GHAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN([C@H](C)Cc2ccccc2F)C1 247956735 OVBSVHJFZZWAJS-MWTRTKDXSA-N 382.479 3.586 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCc2ccccc2)[C@@H]1c1cccc(OC)c1 257224092 FAGJFRYUPKOYHC-GGAORHGYSA-N 394.515 3.696 0 40 GHAB CCc1ccc(-c2nnc(-c3cccc([C@@H]4CCOC4)c3)o2)cc1S(C)(=O)=O 1615546389 NSSHJRDNNAWLNV-GOSISDBHSA-N 398.484 3.873 0 40 GHAB O=C(NCCc1cnc(C2CC2)nc1)N1CC[C@]2(c3ccccc3)[C@@H](C1)C2(F)F 606444767 LPIRXRYBXYWDKA-NQIIRXRSSA-N 398.457 3.515 0 40 GHAB O=C(O)C[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 563582872 JTBRFBXYUMJZHP-SNVBAGLBSA-N 376.787 3.703 0 40 GHAB Cc1c(C(=O)N2CC3(C[C@@H](Oc4ncccc4F)CCO3)C2)oc2ccccc12 575403924 IZRNJGOBFCYLLI-HNNXBMFYSA-N 396.418 3.728 0 40 GHAB COc1cc([C@@H](C)NC(=O)c2oc3c(c2C)C(=O)CCC3)cc(OC)c1OC 44546737 MTWNYJXVCADXKG-GFCCVEGCSA-N 387.432 3.624 0 40 GHAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(-c2nc3c4ccccc4ncn3n2)cc1 1615056146 VIMWCEKNECSRCH-IAGOWNOFSA-N 397.438 3.624 0 40 GHAB Cc1nccn1CCC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615161158 VZACTPXVTVIYEE-XLIONFOSSA-N 384.499 3.627 0 40 GHAB CC(=O)O[C@H]1OC[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]1SCc1ccccc1 5080473 BEQMQIJYJMGIHC-FCGDIQPGSA-N 378.490 3.652 0 40 GHAB COc1ccc([C@@H]2CN(Cc3ccc(OC)c(OC)c3)C[C@H]2c2cc[nH]n2)cc1 12128524 AGFVVBZZQMJDRI-VQTJNVASSA-N 393.487 3.819 0 40 GHAB Cc1cc(-c2snnc2C2CCN(C(=O)CCc3ccc(C)o3)CC2)on1 12224123 LBNKYXTZCOCZMG-UHFFFAOYSA-N 386.477 3.742 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(F)cc2)N1C[C@H]1CCCO1 13126951 BEHLPQAYVRALQI-QVKFZJNVSA-N 393.418 3.646 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)N4CCCCCC4)ccc32)cc1 13583329 IODDJJVQCAHWKX-UHFFFAOYSA-N 398.528 3.763 0 40 GHAB Cc1cc(C(F)(F)F)n2nc(C3CCN(Cc4cccnc4)CC3)cc2n1 19117217 YSMPKILDXCMVEE-UHFFFAOYSA-N 375.398 3.831 0 40 GHAB Cc1ccc(-c2nnc(C3CCN(C(=O)c4cc(C(C)C)no4)CC3)o2)cn1 19215239 KDKPPHAWZREJKM-UHFFFAOYSA-N 381.436 3.571 0 40 GHAB CCn1c(=O)n(CC)c2cc(C(=O)N[C@@H](C)c3nc4ccccc4s3)ccc21 19524233 BYVIQXLNOURFHB-ZDUSSCGKSA-N 394.500 3.944 0 40 GHAB Cc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)c2snnc2C)n1 19558313 BHXXCBAZVGZUIQ-HNNXBMFYSA-N 398.492 3.584 0 40 GHAB CN(C)C1CCC2(CC1)CN(C(=O)CN1CCCCCC1)Cc1ccccc1O2 19583911 WTQKJGSIXLLRJA-UHFFFAOYSA-N 399.579 3.527 0 40 GHAB COCC(=O)N1CCCCCCCN(C2CCC2)Cc2cc(C(=O)O)ccc21 643583023 GRGVVOYDKSBXDK-UHFFFAOYSA-N 388.508 3.683 0 40 GHAB O=C(CC1CCCCC1)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 12130187 GFXBYTBLRPXAKI-UHFFFAOYSA-N 395.507 3.621 0 40 GHAB CCN(CC(=O)Nc1ccc(Br)cc1)C(=O)Cc1cccc(F)c1 3333733 LWUHCODRUAGRPU-UHFFFAOYSA-N 393.256 3.618 0 40 GHAB Cc1nc(C)c(CN2C[C@H]3CN(c4ncccc4C(F)(F)F)C[C@H]3C2)s1 1888864360 WDJJINZSSQFKDJ-OKILXGFUSA-N 382.455 3.742 0 40 GHAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)Cc3cccnc3)CC2)n1 1848357485 SHNGADUPRKBPKT-UHFFFAOYSA-N 390.487 3.951 0 40 GHAB Cc1cc(C)n2ncc(C(=O)N3CCN([C@H](C)c4ccccc4Cl)CC3)c2n1 30250899 DIBQIWUTJKRNPS-MRXNPFEDSA-N 397.910 3.519 0 40 GHAB COCCCNC(=O)Cc1ccc2c(c1)C[C@](C)(Cc1ccc(Cl)cc1)O2 2037875602 VYGPTTLZKKANGO-QFIPXVFZSA-N 387.907 3.972 0 40 GHAB O=C(c1cccc(NS(=O)(=O)c2ccccc2F)c1)N1CCCCCC1 2890868 KKUPJWLOOQQZON-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB Cc1c(F)cccc1NS(=O)(=O)c1cc2c3c(c1)c(C)cc(=O)n3CCC2 4520656 NGGBWJKREQSPRQ-UHFFFAOYSA-N 386.448 3.504 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)cc1 4629720 WDUWRUKWJPTZGY-UHFFFAOYSA-N 394.500 3.844 0 40 GHAB Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1 9067370 MBZWHOLGQRHGNG-UHFFFAOYSA-N 391.515 3.543 0 40 GHAB CCc1ccc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1 10272651 FXYSJCQVSZASDP-UHFFFAOYSA-N 383.448 3.665 0 40 GHAB Cc1ccc([C@@]2(OCc3ccccc3)NC(=O)c3cc4c(cc32)OCCO4)cc1 12858389 XICZLTLVKCOIIF-DEOSSOPVSA-N 387.435 3.928 0 40 GHAB O=C(c1nc2ccccc2s1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1775974284 FMPBMMLGBWLGOM-UHFFFAOYSA-N 379.363 3.614 0 40 GHAB O=C(CN1CCN(c2ccccc2)C1=O)N1CCS[C@H](c2ccccc2)CC1 208042928 QLGCMSNIBLZZFM-FQEVSTJZSA-N 395.528 3.635 0 40 GHAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccc(Br)cc3C)C2)nn1 585234397 PDXGQCFFYJGDNV-CQSZACIVSA-N 389.297 3.711 0 40 GHAB Cc1c(C(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)oc2ccccc12 19566195 GEJUCXDSRJCMPT-GOSISDBHSA-N 376.460 3.544 0 40 GHAB COc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)cc1OC 44421823 SRPNVLCSENHILD-CYBMUJFWSA-N 399.834 3.928 0 40 GHAB Cc1nccn1[C@H]1C[C@H]2CN(CC3CCCCC3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242518 FRUDENYLEXYYDY-LRSLUSHPSA-N 395.551 3.892 0 40 GHAB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C(=O)N1CCOCC1 40104692 CNJNCJHALRLRFX-MJGOQNOKSA-N 387.524 3.885 0 40 GHAB C[C@H]1CN(c2ccc(NC(=O)c3cnc4ccccc4n3)cc2F)C[C@@H](C)O1 40145498 JMKPIJPFYLMWNQ-OKILXGFUSA-N 380.423 3.635 0 40 GHAB CN(C[C@H]1CCCN(C(=O)NCCc2ccc(F)cc2)C1)C(=O)OC(C)(C)C 40158438 NTIIUFPBWUABPH-QGZVFWFLSA-N 393.503 3.657 0 40 GHAB CSCC[C@@H](NC(=O)c1sc(-c2ccccc2Cl)nc1C)C(=O)O 40283321 FLHZIOFDGAVJHJ-GFCCVEGCSA-N 384.910 3.708 0 40 GHAB CCn1c(SCC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)nnc1C1CC1 10982796 UFFQXOGTXNHHPT-SFHVURJKSA-N 388.537 3.790 0 40 GHAB O=C(CCn1c(S)nnc1-c1cccs1)Nc1nc2ccccc2s1 28835390 YEWWPGGKDHUNFF-UHFFFAOYSA-N 387.515 3.934 0 40 GHAB CCOC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1-c1ccccc1OC 1221448 LICUUNCYWGRIJP-AWEZNQCLSA-N 383.473 3.987 0 40 GHAB COC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccco2)c1 1377702 FNISCRSOPZRMQU-RTBURBONSA-N 397.475 3.773 0 40 GHAB COC(=O)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 4485033 GXONDLMBAYRPEG-UHFFFAOYSA-N 375.837 3.734 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1C[C@@H]1CCCO1 4860305 DWOUNSFXRQMYNZ-INIZCTEOSA-N 398.488 3.756 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 7881619 UTLSUGWEXLNJPD-IEBWSBKVSA-N 379.456 3.779 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)c(C)c1 8412516 JJHILCKVOAYQBD-UHFFFAOYSA-N 382.460 3.903 0 40 GHAB CCc1cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc(C)nc2s1 8704574 OFEYBVFGRZLUDC-UHFFFAOYSA-N 396.516 3.613 0 40 GHAB O=C(c1sc2cc(F)ccc2c1Cl)N1CCN(C[C@@H]2CCCO2)CC1 60391713 LVVLWXJZGDOIDA-ZDUSSCGKSA-N 382.888 3.631 0 40 GHAB CCCSc1ncc(Cl)c(C(=O)NCCC(=O)Nc2cccc(C)c2)n1 41156134 LKGUELHPZBTHSC-UHFFFAOYSA-N 392.912 3.699 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccco3)cc2C)cc1 10113030 UFAFVZKATNCLNM-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB COCCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nc(C)c1C 32893895 DFCGUCYCXOJDIV-UHFFFAOYSA-N 383.901 3.539 0 40 GHAB CC(=O)N[C@H](C(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1)C1CCCC1 32860361 OTQMIKBBZMGFPG-NRFANRHFSA-N 394.471 3.677 0 40 GHAB O=C(CCc1ccccc1)NC1CCN(C(=O)CCCc2cccs2)CC1 32924901 MRPNETBIOOWSBT-UHFFFAOYSA-N 384.545 3.811 0 40 GHAB CCOc1cccc2c1N(C(=O)CSc1nnc(N)s1)C(C)(C)C=C2C 9938315 WNBXBUMUMGSHLJ-UHFFFAOYSA-N 390.534 3.840 0 40 GHAB CCCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10326232 QEHKCRVFKSWART-INIZCTEOSA-N 386.517 3.747 0 40 GHAB CC(C)(C)c1cc(NC(=O)CSc2cccc[n+]2[O-])n(-c2ccccc2)n1 2635667 IYXOLHGWWFEBKS-UHFFFAOYSA-N 382.489 3.534 0 40 GHAB COc1ccc(Cc2nc3c4c(C)c(C)n(CC(C)C)c4ncn3n2)cc1OC 21801485 RRPJARCUWCUJQS-UHFFFAOYSA-N 393.491 3.960 0 40 GHAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(C(F)(F)F)cc1 23160142 BVIUBMIPEGGNQL-GOSISDBHSA-N 396.384 3.648 0 40 GHAB Cc1ccc(SCCC(=O)NCc2ccccc2CN2CCOCC2)cc1C 24379143 HYXITBFDELKFLE-UHFFFAOYSA-N 398.572 3.934 0 40 GHAB CCc1nnc(NC(=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)C)s1 7807854 DPKJJCJZZQUJML-IBGZPJMESA-N 396.516 3.576 0 40 GHAB Cc1cc(C(=O)Nc2ccc(SC3CCCC3)cc2)c2c(=O)[nH]n(C)c2n1 24863203 HLVFHGPYMFPUBZ-UHFFFAOYSA-N 382.489 3.857 0 40 GHAB CCOc1ccccc1C(=O)N1CCN(Cc2cccc3cccnc23)CC1 24830443 JGBPJZNFSZDZOH-UHFFFAOYSA-N 375.472 3.592 0 40 GHAB C[C@H]1CN(Cc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C[C@@H](C)O1 24965410 DXSKAWFPOUMWHN-HDICACEKSA-N 391.515 3.750 0 40 GHAB O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)[C@H]1COc2ccccc2O1 56200715 PKGDKTOEEXCUFX-MRXNPFEDSA-N 389.333 3.670 0 40 GHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 107362192 BGEWZWKEOVCJND-BMEPFDOTSA-N 385.895 3.607 0 40 GHAB CC(C)c1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)nn1C(C)(C)C 44372602 BYTGDUWAHHAWIS-CQSZACIVSA-N 391.537 3.656 0 40 GHAB CCCOc1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 27021610 OBBYKZCRIJJQCM-XIHFDNFTSA-N 389.480 3.658 0 40 GHAB CC1(C)CC[C@H](NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c2ccccc21 58005618 FNAAKYLSRFWVBY-FQEVSTJZSA-N 398.528 3.670 0 40 GHAB NC(=O)C1CCN(c2ccc(NC(=O)c3cc4ccccc4s3)cc2)CC1 58191498 VDSNEGFFIIMMNE-UHFFFAOYSA-N 379.485 3.855 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(Cc2ccccc2OC(C)C)c2ccc(Cl)cc21 10335454 OHXCBQNFUOVBLQ-OAQYLSRUSA-N 387.863 3.841 0 40 GHAB CC[C@H](C)Oc1c(Br)cc(/C=C2/NC(=O)N(CC)C2=O)cc1OC 409233654 LQZNPWHQVRKKCA-XNFYSYIQSA-N 397.269 3.548 0 40 GHAB CC(C)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 10657311 FBSXYIFAFXJOTK-UHFFFAOYSA-N 383.477 3.599 0 40 GHAB Cc1cc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)c(C)n1CC(F)(F)F 16406353 NXEYCHBVYCJTCN-QGZVFWFLSA-N 394.393 3.844 0 40 GHAB CC1(C)Cc2c(sc3ncn4nc([C@@H]5OCc6ccccc6O5)nc4c23)CO1 2334818 BTFQUIPREXRKRP-LJQANCHMSA-N 394.456 3.798 0 40 GHAB CCn1c(SCC(=O)c2cccc(N3CCCC3=O)c2)nnc1-c1ccco1 12600944 KBZOPPZXUFQEQO-UHFFFAOYSA-N 396.472 3.660 0 40 GHAB COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(OC)c1OC 12611770 QFFQWIXVIAAUID-INIZCTEOSA-N 381.432 3.566 0 40 GHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2ccccc2Cl)c2c(C)cc(C)cc21 8047843 JPPNQYGBDAIOAZ-IBGZPJMESA-N 386.879 3.950 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)c2O1 68927182 JOQXBQTWPFWDBL-UHFFFAOYSA-N 394.515 3.560 0 40 GHAB COc1ccc(C)cc1NC(=O)CNC(=O)Nc1cccc(C(F)(F)F)c1 48325437 SLYBEVICWNGXDU-UHFFFAOYSA-N 381.354 3.783 0 40 GHAB O=C(CSc1nc2cc(Cl)ccc2s1)NC(=O)NCc1ccco1 3423378 XCQBXJQLQHCUFY-UHFFFAOYSA-N 381.866 3.661 0 40 GHAB O=C(c1ccccn1)N1Cc2ccccc2[C@@H](c2nccn2Cc2cccnc2)C1 306139913 UDSOXZAZELJFFG-NRFANRHFSA-N 395.466 3.509 0 40 GHAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)C[C@@H](C)O1 12988717 ZDGBLDVAHDBIDM-PHIMTYICSA-N 383.876 3.797 0 40 GHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(CN2C(=O)CCC2=O)cc1 12921311 BPBMMGZKBNIMND-UHFFFAOYSA-N 377.227 3.895 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 113966093 SCYGPUPXCBHMGD-QGZVFWFLSA-N 388.533 3.798 0 40 GHAB Cc1ccc(NC(=O)CCNC(=O)c2ccccc2CCc2ccccc2)nc1 70014081 QWSCOYIPGYSGKL-UHFFFAOYSA-N 387.483 3.934 0 40 GHAB CCOc1ccc(OCCNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc1 8387936 CTLADISJPQZZBJ-UHFFFAOYSA-N 393.487 3.626 0 40 GHAB CC(=O)c1c2c3c(c(Br)ccc3n(C)c1=O)C(=O)c1ccccc1-2 4194748 MNAVICYELNNYSX-UHFFFAOYSA-N 382.213 3.715 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(C(F)(F)F)cc1 5169968 RSTHDRBDNZNXMM-LBPRGKRZSA-N 378.350 3.848 0 40 GHAB CCc1nnc2sc(-c3ccc(CNC(=O)c4cccc(C)c4)cc3)nn12 13954807 BQJUSZQVHQPEBE-UHFFFAOYSA-N 377.473 3.654 0 40 GHAB Cc1ccccc1[C@H]1C[C@H](c2ccc(Br)s2)Nc2nnnn21 6303048 DIQRLWKZFNDCMC-VXGBXAGGSA-N 376.283 3.952 0 40 GHAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)OCC(=O)N(C)C)cc1 6359396 QLTKMJKLZHCCKZ-UHFFFAOYSA-N 394.496 3.959 0 40 GHAB COc1ccc(/C=C/c2nc(SCC(=O)Nc3ccccc3)n[nH]2)cc1OC 5347880 BCPVVXFFMVZOIH-PKNBQFBNSA-N 396.472 3.723 0 40 GHAB CSc1nc2ccc(NC(=O)c3ccccc3S(C)(=O)=O)cc2s1 4517702 HFUZPQCNOCLJSM-UHFFFAOYSA-N 378.500 3.674 0 40 GHAB C[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 14280008 XKRPXBAQTWVRTA-JLZSUIFSSA-N 375.538 3.569 0 40 GHAB COC(=O)c1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1 4601801 FRZYSDLETQETPA-UHFFFAOYSA-N 376.441 3.894 0 40 GHAB CN(Cc1ccc(Cl)s1)C(=O)CN1CCO[C@@H](c2ccccc2F)C1 66846722 OKTFVABSTYPKQM-MRXNPFEDSA-N 382.888 3.573 0 40 GHAB O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)c(Cl)c1 6932326 JZVOQXVESNDRDM-UHFFFAOYSA-N 382.199 3.560 0 40 GHAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(C(N)=O)cc2)cc1OCC 5937765 GYCSWSMYAMRDDQ-UHFFFAOYSA-N 376.840 3.879 0 40 GHAB CCCCn1c(SCC(=O)N(CC)c2ccccc2)nc2cc(C)[nH]c2c1=O 67238332 SSYJZPHCQCHCML-UHFFFAOYSA-N 398.532 3.978 0 40 GHAB CCOc1ccc(-c2nc(COc3ccccc3C(N)=O)cs2)cc1OC 15314885 ANEMUUPOLLQJMD-UHFFFAOYSA-N 384.457 3.895 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC(C)(C)C)nnc2N2CCCCC2)cc1 7104740 RRWWZTDQEJWBHQ-UHFFFAOYSA-N 387.553 3.573 0 40 GHAB CC[C@H](Sc1nnc(-c2ccccc2OC)n1C)C(=O)NCc1ccccc1 8729219 UYHYYCZJJJVLIU-SFHVURJKSA-N 396.516 3.678 0 40 GHAB COc1ccc([C@@H]2CCCCCN2CC(=O)NCc2ccc3c(c2)OCO3)cc1 8747974 JSUSAUUDTGPJDJ-FQEVSTJZSA-N 396.487 3.657 0 40 GHAB CCn1c2ccccc2c2cc(NC(=O)CSc3nccc(=O)[nH]3)ccc21 18207199 ALEUTTNIZDFZSP-UHFFFAOYSA-N 378.457 3.629 0 40 GHAB Cc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1-c1ccccc1 9264958 QCYOESIPTANLPA-UHFFFAOYSA-N 381.486 3.916 0 40 GHAB Cc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C 9378581 GRSBYRMABYQYNV-FQEVSTJZSA-N 399.516 3.700 0 40 GHAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(N2CCOC2=O)c1 71945804 WVXQXUTZHVVKJM-UHFFFAOYSA-N 379.460 3.516 0 40 GHAB CC(C)(C)OC(=O)N1CCN(c2ccc(Br)c(F)c2F)CC1 96314387 PUDXJHUJRDCNEU-UHFFFAOYSA-N 377.229 3.784 0 40 GHAB CC1=NN(c2ccc(C(=O)NCc3ccc(-n4ccnc4)c(F)c3)cc2)CC1 84677963 VHNMDQHJVVNSLH-UHFFFAOYSA-N 377.423 3.527 0 40 GHAB CC(=O)c1ccc(OCC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)cc1 95397781 TUVDDFBCQQMWKD-QGZVFWFLSA-N 380.488 3.610 0 40 GHAB CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 95465437 JVWLLTMEXIKQOX-AWEZNQCLSA-N 387.461 3.560 0 40 GHAB C[C@H](c1ccc(F)c(F)c1)c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1 545008548 SUOXVVHELSLIIE-SNVBAGLBSA-N 379.388 3.538 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2CN(Cc3ccoc3)C[C@H]21 306134769 NXTOUFDGIQVKTC-TZIWHRDSSA-N 383.444 3.841 0 40 GHAB C[C@@H](CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1)c1ccccc1 408707295 MLFYIGULUHSBHI-IBGZPJMESA-N 386.495 3.855 0 40 GHAB O=S(=O)(c1cn2c(n1)CCCC2)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 503449263 SVSODAPBJWCOQN-GOSISDBHSA-N 384.505 3.617 0 40 GHAB O=C(NCCCNc1ccc(C(F)(F)F)cn1)NCCc1ccc(F)cc1 32935983 ULGIUWPXDPXLMC-UHFFFAOYSA-N 384.377 3.583 0 40 GHAB CCOC(=O)c1ccc2nc(NC(=O)c3cc(-c4ccco4)on3)sc2c1 56901073 NQAVNUCLYACROL-UHFFFAOYSA-N 383.385 3.973 0 40 GHAB Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)c1ccc2c(c1)OCO2 32609849 CHNFSODOLWPCKI-UHFFFAOYSA-N 383.379 3.657 0 40 GHAB CCCCc1nnc(NC(=O)CCCc2nc(-c3cccs3)no2)s1 31684353 BDHBYMPMVPOBTA-UHFFFAOYSA-N 377.495 3.954 0 40 GHAB Cc1cc(Nc2ncccc2C)nc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 72360010 BTYPQRRAEIGBCZ-SFHVURJKSA-N 388.475 3.647 0 40 GHAB COCCOc1cc(-c2noc([C@@H]3CCCN3Cc3ccccc3F)n2)ccn1 35424774 YUMRHAYOTUWGTF-SFHVURJKSA-N 398.438 3.633 0 40 GHAB biogenic,in-vitro Cc1ccc2c(c1)C(=O)N(CCC(=O)N[C@H](C)c1cccc(OC(C)C)c1)C2=O 40112860 NOSXEOASMLVZRK-MRXNPFEDSA-N 394.471 3.646 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220126555 GKBZJHULSQZHFY-CQSZACIVSA-N 380.897 3.750 0 40 GHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 225496210 YCCAXZWIAXBCCZ-UXHICEINSA-N 392.484 3.594 0 40 GHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@@H](c1ccsc1)N(C)C 48355286 BQKBZOFTRNCPBU-SFHVURJKSA-N 386.521 3.829 0 40 GHAB CC1CCN(c2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cn2)CC1 224045808 GPGYCSCUDFCGCU-UHFFFAOYSA-N 384.505 3.533 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223248195 DYWAKTAHIUHGCJ-GFCCVEGCSA-N 393.892 3.655 0 40 GHAB O=C(NC1CC1)c1cccc(C(=O)N2CCC(c3ncccc3Cl)CC2)c1 572931392 AJCVAXWLZJVAIZ-UHFFFAOYSA-N 383.879 3.647 0 40 GHAB CN(c1ccccc1C(=O)Nc1ccc(OC2CCCC2)cc1)S(C)(=O)=O 44707418 QNDCVDWGNDBQKG-UHFFFAOYSA-N 388.489 3.656 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 225409886 NWHPEDDXKVPYAP-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)C1 525164527 OTZMEYGNQIUBQF-VBKZILBWSA-N 391.446 3.705 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1 222983338 MLIISLATAFCSGP-LJQANCHMSA-N 396.531 3.961 0 40 GHAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCc1cccs1)[C@]1(C2)NC(=O)c2ccccc2O1 253596596 TUBSUMCPLNXBMM-HDPQYILWSA-N 396.512 3.709 0 40 GHAB CNC(=O)[C@@]1(c2ccccn2)CCCN1Cc1ccccc1OC1CCCC1 257221111 DNNRSNIDBSZQDM-QHCPKHFHSA-N 379.504 3.640 0 40 GHAB COc1ccc(CCNC(=O)N2CCC(Oc3ccncc3Cl)CC2)cc1 253472255 KXLHGKPIOFWMQW-UHFFFAOYSA-N 389.883 3.539 0 40 GHAB CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)CC(C)C)CC1 257270569 MUTQIKJSOAIZLM-UHFFFAOYSA-N 393.531 3.692 0 40 GHAB Cn1ncc(C2CCC2)c1C(=O)N1CCC([C@H](CC(=O)O)c2ccccc2)CC1 621542732 MVKWNTGNRPPMFP-LJQANCHMSA-N 395.503 3.798 0 40 GHAB O=C(O)[C@@H](c1ccc(F)cc1)N1CCC(c2nc(-c3ccccc3)no2)CC1 652410043 WEEYOLJCLWMNBO-GOSISDBHSA-N 381.407 3.881 0 40 GHAB O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)N[C@H]1CC12CCOCC2 653194872 MVPZXZUKPPTREM-HNNXBMFYSA-N 380.370 3.582 0 40 GHAB COc1cccc2c1CC[C@H]2NC(=O)N[C@@H](Cc1ccccc1)c1ncco1 654490750 RWISLRIEWDGBDH-MOPGFXCFSA-N 377.444 3.954 0 40 GHAB O=C(NC[C@H]1CCCC[C@@H]1O)Nc1c(-c2ccc(F)cc2)nc2ccccn12 1219523089 QTMCEICYEQISMD-WBVHZDCISA-N 382.439 3.813 0 40 GHAB CC[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCC(C)(C)C2CC2)C1 1727299408 FLVWKXYRDJOCDH-JOCHJYFZSA-N 387.572 3.967 0 40 GHAB CS(=O)(=O)Cc1ccccc1NC(=O)NC1(c2c(F)cccc2F)CCC1 585123578 FMAPAFGUBNGXPC-UHFFFAOYSA-N 394.443 3.710 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)N1CCC(Nc2ccccc2C)CC1 65492995 SEGHKWLRDCPHJJ-UHFFFAOYSA-N 390.487 3.906 0 40 GHAB COC(=O)Cc1sc(NC(=O)c2ccc(C=O)cc2)nc1-c1ccccc1 66630031 NWMIWWUJARGQMN-UHFFFAOYSA-N 380.425 3.590 0 40 GHAB CCOc1ccc([C@H](CC(=O)O)NC(=O)c2cccc(Br)c2)cc1 5512064 QUYJEURCEYPTSI-INIZCTEOSA-N 392.249 3.794 0 40 GHAB COCc1nn2c(O)c(-c3ccccc3)cnc2c1-c1ccc(OC)c(OC)c1 15109309 KAXRJNIUGOHDRU-UHFFFAOYSA-N 391.427 3.933 0 40 GHAB CCN(CC)CCCNc1c2c(nc3cc(-c4cc(C)on4)nn13)CCCC2 19526380 GTPMXKYKJXOQLB-UHFFFAOYSA-N 382.512 3.715 0 40 GHAB CNc1cc(C2CCN(C(=O)C3CCCCC3)CC2)nc(-c2cccnc2)n1 19592213 FWHIHSXXEQIOFX-UHFFFAOYSA-N 379.508 3.867 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c2c(C)noc2n1 19715824 AGKQSKNNTFYGHU-QGZVFWFLSA-N 393.443 3.978 0 40 GHAB Nc1n[nH]c2nc([C@@H]3CCCCN3C(=O)c3ccccc3)cc(C(F)(F)F)c12 19742246 RLWAPGLBNCJXKM-AWEZNQCLSA-N 389.381 3.926 0 40 GHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c1 6473034 JHOJXFSTBAUIGW-WOJGMQOQSA-N 396.468 3.987 0 40 GHAB CCN(CC)Cc1ccccc1CNC(=O)c1ccc(N2CCCC2=O)cc1 7946103 WJWJWDSMLFVXNJ-UHFFFAOYSA-N 379.504 3.585 0 40 GHAB CCN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)c1ccc(F)cc1)c1ccccc1O2 12086553 WRCSQDCMBUZNDZ-CVDCTZTESA-N 396.462 3.851 0 40 GHAB C[C@@H]1CN([C@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CC[C@@H]1c1ccccc1 567595407 GONUCHLITNCYOQ-LZJOCLMNSA-N 380.488 3.515 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cccnc4)C3)cc2N1 19574617 WKMNQNMGRFMMGM-XNRPHZJLSA-N 393.413 3.605 0 40 GHAB Cc1cc(NC(=O)CSc2nnc3ccccn23)ccc1Br 3505648 UEXPSXVCZMJHCQ-UHFFFAOYSA-N 377.267 3.531 0 40 GHAB CN(C)c1cccc(C(=O)N2CC[C@H](COc3cccc(C(F)(F)F)n3)C2)c1 1888870048 DCAKOOPAUUJTSF-AWEZNQCLSA-N 393.409 3.708 0 40 GHAB COc1ccc(CN2CC[C@H]3CN(c4ccccn4)C[C@@H]32)cc1Br 1889133845 DUDVXIMDVPOHLC-RDJZCZTQSA-N 388.309 3.563 0 40 GHAB O=C([C@H]1CCc2ccccc2O1)N1CCC(COc2ccncc2Cl)CC1 1889166630 LAPAJLCDGIMQTB-HXUWFJFHSA-N 386.879 3.746 0 40 GHAB COCc1nsc(N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)n1 2087044650 YRBSYVAWWNFFGS-UHFFFAOYSA-N 381.505 3.889 0 40 GHAB O=S(=O)(Cc1cc(F)cc(F)c1)N[C@H](c1cccs1)C1CCOCC1 1565523222 JODVHXSBMUUXRG-KRWDZBQOSA-N 387.473 3.614 0 40 GHAB CCc1nn2c(ncc3c(=O)n(-c4ccccn4)ccc32)c1-c1ccc(F)cc1 22610657 USWULIUDRSVXGR-UHFFFAOYSA-N 385.402 3.797 0 40 GHAB O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CCCN1c1nc2ccccc2o1 618254593 BHGZQKFSXMUOSA-INIZCTEOSA-N 391.456 3.954 0 40 GHAB O=C(NCCOc1ccccc1)NC[C@@H](O)c1ccc(-c2cccs2)s1 585147910 HIJCTLDEGUJONB-OAHLLOKOSA-N 388.514 3.888 0 40 GHAB Cc1cc(S(=O)(=O)NC[C@](C)(O)c2cccs2)c(Cl)cc1Cl 77186776 MJQHLWWTDRACKZ-AWEZNQCLSA-N 380.318 3.549 0 40 GHAB COc1cccc(OCC(=O)N[C@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)c1 77200142 VSOPQIXBSGCTOA-FXAWDEMLSA-N 398.459 3.750 0 40 GHAB COc1cccc([C@H]2CCCN2C(=O)C[C@H]2Sc3ccccc3NC2=O)c1 40038973 CHKFLXCWXHIMQD-IEBWSBKVSA-N 382.485 3.862 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)Oc3ccc(N4CCCC4=O)cc3)c12 40037426 VZTKTBMPWNKQOW-UHFFFAOYSA-N 377.400 3.755 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1 40057928 GJGPDMUYLOKEJW-OALUTQOASA-N 386.492 3.731 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1 40117398 STLXIOIKCRETHP-IBGZPJMESA-N 375.465 3.891 0 40 GHAB CC(C)CNC(=O)[C@@H]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)C1 40121283 SECDJHWOMGGYLT-OAHLLOKOSA-N 385.335 3.937 0 40 GHAB Cc1cc2cc3c(cc2n2c(SCC(=O)c4ccccc4)nnc12)OCCO3 877374 LNQKMAADHPBOAP-UHFFFAOYSA-N 391.452 3.937 0 40 GHAB Cc1cc(CNC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)ccc1F 11551660 RGLVGGMIGDLTFF-UHFFFAOYSA-N 381.407 3.979 0 40 GHAB COC(=O)CSc1nnc2c3c4c(sc3nc(C(C)C)n12)CCCC4 1376461 IDUOASRATZMYFF-UHFFFAOYSA-N 376.507 3.606 0 40 GHAB O=S(=O)(Nc1nnc2ccc3ccccc3n12)c1ccc(Cl)cc1S 1650668 ZXDAYDUEGZVMIB-UHFFFAOYSA-N 390.877 3.625 0 40 GHAB CCNC(=S)Nc1ccc(N(CCc2ccccc2)C(=S)NCC)cc1 3360172 LJFZBXLFPKDHSA-UHFFFAOYSA-N 386.590 3.936 0 40 GHAB O=C(COc1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1ccc(F)cc1 4145801 KDUWCKWPQZLEGZ-RWFYYTQISA-N 393.414 3.623 0 40 GHAB O=C([C@H]1Cc2ccccc2O1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 29476780 YQHNKALGCHOPDR-CRAIPNDOSA-N 380.469 3.812 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c1C 11747183 DVYMCBGLCCYESV-UHFFFAOYSA-N 384.461 3.568 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccnc1 4996673 GQFHVRSZJBRDDU-CQSZACIVSA-N 395.488 3.682 0 40 GHAB CCOCCCNC(=O)c1cc2c(N3CCCCC3)nc(SC)nc2s1 7604223 NKRYDPBBNHJILQ-UHFFFAOYSA-N 394.566 3.560 0 40 GHAB C[C@H]1CC[C@H]2C(=O)N(c3cccc(OCC(=O)c4ccccc4)c3)C(=O)[C@@H]2C1 100838495 ZVXZWKWVQJEULI-CWFSZBLJSA-N 377.440 3.874 0 40 GHAB O=C(COc1ccc(C(=O)NC2CC2)cc1)Nc1cccc(C(F)(F)F)c1 8189679 YJSOZTPSPXZGFP-UHFFFAOYSA-N 378.350 3.615 0 40 GHAB COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)C(C)(C)C)cc1 8586272 JBXBRZCQGFGYKG-UHFFFAOYSA-N 379.460 3.507 0 40 GHAB CCN1C[C@H](CN(C)C(=O)/C=C/c2nc3ccccc3o2)Oc2ccccc21 58175585 UJGZIUMXUUFGFD-DBTPVHCXSA-N 377.444 3.587 0 40 GHAB Cc1ccccc1[C@@H](Sc1nnc(N2CCOCC2)n1C)c1ccccc1 33038335 KPYXAQMXVRXKLI-IBGZPJMESA-N 380.517 3.842 0 40 GHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[C@H]2C=C[C@H]1C2 102960080 NMPGHAWOJXYKKX-OFQRWUPVSA-N 394.924 3.665 0 40 GHAB c1ccc(-n2c(CN3CCCC3)nnc2Sc2cnc3ccccc3n2)cc1 41873273 ZDZSHJBKHKNTIB-UHFFFAOYSA-N 388.500 3.958 0 40 GHAB CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc2c(c1)CCC(=O)N2 47229412 HSXFXWKKJJNSFV-UHFFFAOYSA-N 388.471 3.666 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 22407145 ZUAAUBREINLIDV-GOSISDBHSA-N 396.487 3.644 0 40 GHAB COc1cc(C(=O)N2CCC[C@H]2c2ccncc2)cc(OC)c1Br 23055256 BPWYFFHPHQFTSA-AWEZNQCLSA-N 391.265 3.839 0 40 GHAB Cc1ccc(-c2nn(CN3CCN(Cc4ccsc4)CC3)c(=S)n2C)cc1 23256991 QSTYWQJRZRBZIT-UHFFFAOYSA-N 399.589 3.763 0 40 GHAB CC(=O)N1CCCN(C(=O)CCN2c3ccccc3Sc3ccccc32)CC1 23418262 CHJFZXLZNGUFON-UHFFFAOYSA-N 395.528 3.760 0 40 GHAB O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCN(CCc2ccccc2)CC1 24292341 RUMCWNKWGLDINM-UHFFFAOYSA-N 392.528 3.535 0 40 GHAB O=C(CSCCN1C(=O)c2ccccc2C1=O)Nc1ccc2ccccc2c1 3167830 FASJNJTXPYTKMF-UHFFFAOYSA-N 390.464 3.808 0 40 GHAB COc1cc(C(=O)COC(=O)COc2cc(C)ccc2C)ccc1OC(F)F 21227099 ROOZWOPFCZENEU-UHFFFAOYSA-N 394.370 3.718 0 40 GHAB Cc1nn2c(nc(Nc3ccc4c(c3)NC(=O)CO4)c3ccccc32)c1Cl 24717193 JFWODVKKAXTQIK-UHFFFAOYSA-N 379.807 3.919 0 40 GHAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@H](C(=O)Nc2ccccc2)C1 35287177 YJEOTNNCCNPLTQ-CABCVRRESA-N 387.430 3.643 0 40 GHAB Cc1ccc2nc(NC(=O)[C@H](C)Cn3cc(Br)cn3)sc2c1 28234685 MVWSKSQMKNZVHW-SNVBAGLBSA-N 379.283 3.839 0 40 GHAB O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NCc1ccccc1 21822124 LQGMWJQGYLWKBM-UHFFFAOYSA-N 399.538 3.710 0 40 GHAB COC(=O)c1cc(-c2ccc(OC)cc2OC)nc2onc(-c3ccco3)c12 8188314 USFQNEFTRXJTLM-UHFFFAOYSA-N 380.356 3.954 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccn1 2264254 KQIOHZBMHLSOHG-UHFFFAOYSA-N 394.287 3.915 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)NCc1cccc(NC(=O)C2CC2)c1 10761823 CYVAHGYEQYFSGQ-UHFFFAOYSA-N 375.428 3.929 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CN(C)[C@H](C)c3cc4ccccc4o3)ccc21 12793847 ABIBYRRUCFBJRU-OAHLLOKOSA-N 391.471 3.973 0 40 GHAB O=C(CCC(=O)c1ccccc1)Nc1cccc(I)c1 8110102 PCLNJOIGWSOTIP-UHFFFAOYSA-N 379.197 3.893 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)c2ccc(OC)cc2)cc1OCC 16752758 FOGLNJKESWKWQT-UHFFFAOYSA-N 383.404 3.795 0 40 GHAB COc1ccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 8287266 GIUFRZZXPWLZJK-UHFFFAOYSA-N 376.412 3.856 0 40 GHAB COc1cccc(/C=C/[C@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)c1OC 4000206 VYFDLJYMOPNYHW-RGPPVUSESA-N 378.472 3.649 0 40 GHAB biogenic CCCCNC(=O)Oc1ccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2C)cc1 4106330 KGNVNZHXJFTKKC-AWEZNQCLSA-N 381.432 3.563 0 40 GHAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3F)=NN12 5092080 ALQSIGCXTWIVED-HXUWFJFHSA-N 379.435 3.708 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1 5016216 QDYGJFKLBFIHCZ-UHFFFAOYSA-N 397.504 3.915 0 40 GHAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 4418396 BCULZCNDZWTDHP-UHFFFAOYSA-N 380.879 3.703 0 40 GHAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(S(C)(=O)=O)cc1 6557882 AMXFTNUFDLCOGY-UHFFFAOYSA-N 381.881 3.850 0 40 GHAB COc1ccc(NC(=O)C[C@H](C)CC(=O)NCc2ccc(F)cc2)c(OC)c1 4690604 SGACMZTZKYAQQS-CQSZACIVSA-N 388.439 3.514 0 40 GHAB Cc1cn2c(=O)cc(COc3cccc(NC(=O)c4cccs4)c3)nc2s1 21369140 GMGHJTZCAOADBA-UHFFFAOYSA-N 397.481 3.957 0 40 GHAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(Br)c1 4878642 OGDWBIAWMANJNV-HNNXBMFYSA-N 391.269 3.673 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccn2)CC1 4951377 WIMMOVVTCGSXMC-ZDUSSCGKSA-N 380.275 3.505 0 40 GHAB O=C(N[C@H]1COc2ccccc2C1)N1CCC(OCc2ccc(F)cc2)CC1 92187671 BBJAOGPUVRFYQR-LJQANCHMSA-N 384.451 3.520 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccccc3CC)ccc21 15867563 YOTRUESGTBWBKA-UHFFFAOYSA-N 385.489 3.838 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CSc3ccc(C)cc3)CC2)c(F)c1 8726061 QVWFYLZOCRGYSA-UHFFFAOYSA-N 386.492 3.778 0 40 GHAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1cccc(Br)c1 7634431 AFVDMMRKNRKPPF-LLVKDONJSA-N 388.217 3.962 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3cc(C)on3)c2)c(C)c1 7781122 OWJBLKFQQQQJQQ-UHFFFAOYSA-N 399.472 3.961 0 40 GHAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(Cl)c2c(c1)OCO2 9603371 WGAWESSQORLRCB-UHFFFAOYSA-N 377.187 3.555 0 40 GHAB COc1ccc(OC)c(CNC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)c1 71768909 ZGFGBPOJDVUTOL-UHFFFAOYSA-N 384.407 3.638 0 40 GHAB COCCCOc1cc(CN[C@@H](C)c2nc3ccccc3n2C)ccc1OC 72289953 MLEHGJRWCWMYSH-INIZCTEOSA-N 383.492 3.848 0 40 GHAB CCCCOCCNC(=O)CN1CCC[C@@H]1c1nc2ccccc2n1C(C)C 72308892 DQDZBJVFNVOGTJ-HXUWFJFHSA-N 386.540 3.687 0 40 GHAB OCCN(CCO)c1nc(-c2cccs2)nc2scc(-c3ccccc3)c12 72301710 FZOWQXDSMAOOCG-UHFFFAOYSA-N 397.525 3.878 0 40 GHAB Cc1nn(C)c(C)c1[C@@H](NCc1nc2cc(Cl)ccc2n1C)C(F)(F)F 89505661 CSLDQDBSSJYSKL-MRXNPFEDSA-N 385.821 3.970 0 40 GHAB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccccc2OC(C)C)C1=O 409328789 AZYYFTAPRSOOPD-SXGWCWSVSA-N 377.462 3.709 0 40 GHAB CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)ccc1OC 408606581 ITCHSBGAYZUUJK-IBGZPJMESA-N 397.500 3.525 0 40 GHAB Cc1nc(CN2CCN(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)CC2)cs1 32332850 NYIDKOZYHBTBGU-QPJJXVBHSA-N 395.450 3.828 0 40 GHAB Cc1cc(Oc2ccccc2C)nc([C@H]2CCN(C(=O)c3cn(C)nc3C)C2)n1 72384047 ZRARJPFBUKKJDJ-KRWDZBQOSA-N 391.475 3.557 0 40 GHAB COC(=O)Nc1snc(C)c1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 32796582 NMDMWSSTVXDMRL-UHFFFAOYSA-N 399.476 3.526 0 40 GHAB Cn1c([C@H](NS(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21 60242095 IWODIPPEFRSPGK-GOSISDBHSA-N 383.498 3.703 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1nc(-c2cccc(C)c2)no1 219362087 MYTODDJMZABLOA-GOSISDBHSA-N 381.432 3.527 0 40 GHAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(-n2cnnc2)c1 32646848 VZTRGYVSHJVSDI-HNNXBMFYSA-N 380.448 3.807 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@H]2CCN(C(=O)c3cscn3)C2)n1 72384073 KFYRYEYRDDOSMR-ZDUSSCGKSA-N 384.436 3.803 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2ccccc2Cl)c1 36620570 BUQMYGOAPOPYOZ-INIZCTEOSA-N 381.881 3.883 0 40 GHAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cnc2ccccn2c1=O 48230792 JAEZVGTUEUUQQT-UHFFFAOYSA-N 396.859 3.648 0 40 GHAB O=C(Cn1cc(Br)ccc1=O)Nc1ccccc1Cc1ccccc1 49890479 MFWHGDJWGQJXSB-UHFFFAOYSA-N 397.272 3.840 0 40 GHAB CCOCCCNC(=S)Nc1nc(C)cc(Nc2ccc(OCC)cc2)n1 225200654 OBERPTUXFLQKDK-UHFFFAOYSA-N 389.525 3.640 0 40 GHAB O=C(c1ccnc(-n2cccn2)c1)N1CCC([C@H](F)c2ccccc2F)CC1 568306239 VSSDVJKYTDQDLV-FQEVSTJZSA-N 382.414 3.969 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 225465101 CKYSMLOBGZSAPB-UHFFFAOYSA-N 377.897 3.915 0 40 GHAB CCOc1ccc(-c2noc(CNC(=S)Nc3ccc(OC)cc3)n2)cc1 225829912 VZNATQKUGXEEAE-UHFFFAOYSA-N 384.461 3.631 0 40 GHAB CSc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1NC(=O)C(C)C 222850751 YKCUFZDPVCMYMC-UHFFFAOYSA-N 392.546 3.790 0 40 GHAB CCc1ccc(CC)c(CNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 223702425 AJFFRVQOSDYJKO-UHFFFAOYSA-N 394.924 3.766 0 40 GHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)n1C 223890318 CTBPJOLXNYEHIL-RTWAWAEBSA-N 391.544 3.972 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 223060811 ZQQNIFYLQKRRDB-QGZVFWFLSA-N 382.504 3.570 0 40 GHAB O=S(=O)(c1ccccc1)N1CCC[C@]2(CCCN2CCCc2ccccc2)C1 96071291 HJPNLSWHUPFDGQ-HSZRJFAPSA-N 398.572 3.939 0 40 GHAB Cc1c(NC(=O)NCc2c(F)cccc2Cl)nnn1Cc1ccccc1F 579132312 RPNUWQCSQZOOOC-UHFFFAOYSA-N 391.809 3.888 0 40 GHAB O=C(c1ccc(Br)cc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 238934032 VIGJAYYCTYTHJJ-LJQANCHMSA-N 385.305 3.722 0 40 GHAB CC(=O)Nc1cc(C(=O)OC2CCN(c3ccc(Cl)cn3)CC2)ccc1F 97575594 UOIYRGXCCXGZCJ-UHFFFAOYSA-N 391.830 3.658 0 40 GHAB Cn1ccc2cc([C@@H](O)CNC(=O)CCc3ccc(C(F)(F)F)cc3)ccc21 252507920 WXAYMDCZVAIKCK-IBGZPJMESA-N 390.405 3.980 0 40 GHAB Cc1cccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N[C@@H]3Cc2ccccc2)n1 257273069 NFDFTNSMSZCLTA-CFKFVRPNSA-N 375.516 3.746 0 40 GHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cscc1C(F)(F)F 621289923 VHUCLRJCIBRMOH-UHFFFAOYSA-N 384.423 3.529 0 40 GHAB O=C(Nc1ncc(C2CCOCC2)s1)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 654105592 LPCDEJKPJVFXJE-WCQYABFASA-N 393.431 3.659 0 40 GHAB Cc1ccc(C2(CNC(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CCC2)cc1C 683987251 DGYMESGBSODQEG-NRFANRHFSA-N 397.563 3.815 0 40 GHAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CN(C(=O)c3ccccc3)CCO2)n1 585262704 UWZSTWWJAWTVLJ-QGZVFWFLSA-N 395.488 3.507 0 40 GHAB COc1c(C)cccc1CN1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615132406 XZKDVFZPTVQVQK-HSZRJFAPSA-N 398.478 3.541 0 40 GHAB Cc1ccc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cc1C 1615130809 QLPKTMJWWMDRGR-QHCPKHFHSA-N 382.479 3.841 0 40 GHAB CCc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(F)c(C)c3)CC2)cc1 1667675861 WYUDUCDIQYRENW-UHFFFAOYSA-N 376.497 3.516 0 40 GHAB COc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1OC 1511147 JBQXKNNXLIDAIJ-RIYZIHGNSA-N 388.217 3.811 0 40 GHAB O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1Cc2cc(Cl)ccc2O1 12197144 DJUQJMMGMXQESZ-LJQANCHMSA-N 384.863 3.908 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2N(C)C1=O 12228857 BSSRZOOMJBUYSE-SNVBAGLBSA-N 395.242 3.755 0 40 GHAB O=C(c1c(F)cccc1Cl)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1 12292016 ZCVJMAWUMJQXLJ-GFCCVEGCSA-N 386.814 3.944 0 40 GHAB CCOc1ccccc1CCCNC(=O)CN1C(=O)c2cccc3cccc1c23 13669066 HSXVLHXYOQEUCS-UHFFFAOYSA-N 388.467 3.948 0 40 GHAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1nc2ccccc2s1 17079019 KNQILGNMQVDBSG-UHFFFAOYSA-N 386.908 3.710 0 40 GHAB O=C1CCCN1CCCNCc1cc(-c2ccccc2)cnc1-c1ccncc1 19374000 QCBOOVRFTWDQSW-UHFFFAOYSA-N 386.499 3.913 0 40 GHAB COc1ccc([C@@H](O)CN2CCc3c([nH]c4ccccc34)[C@@H]2C)cc1NC(C)=O 19498293 ALVSYFSJMSIEOA-QKKBWIMNSA-N 393.487 3.788 0 40 GHAB O=C(NCc1ccc(Cl)cc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206789808 UOXARHBWNAPIIE-HNNXBMFYSA-N 398.816 3.832 0 40 GHAB CSc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1 8221943 HJRKJKGRWZVBAQ-YYTPVVGHSA-N 390.530 3.846 0 40 GHAB O=C(CCC1CCCC1)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 7407209 IZOKGWGDLWAIMC-LGMDPLHJSA-N 390.480 3.949 0 40 GHAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cc2ccccc2oc1=O 7016302 ZFJXLLLCSXCMRS-UHFFFAOYSA-N 388.375 3.745 0 40 GHAB CC(=O)N1CCN(Cc2csc(C)n2)C[C@@H](Cc2cccc3ncccc23)C1 2037846284 NLWUSLPHGSKGCK-GOSISDBHSA-N 394.544 3.523 0 40 GHAB Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)c1 5076044 IVIZFGLTCKQMGX-UHFFFAOYSA-N 378.881 3.749 0 40 GHAB O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1cccnc1 5146489 UOCIPBPIWJGLTO-UHFFFAOYSA-N 382.876 3.970 0 40 GHAB COc1cccc(N2C[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)CC2=O)c1 5194918 WMVCSAOMGUIWCG-FQEVSTJZSA-N 386.451 3.898 0 40 GHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cc(OC)ccc1OC 11694364 HWHYRVXSAMGPLZ-UHFFFAOYSA-N 385.395 3.680 0 40 GHAB COc1ccc(CNC(=O)Cc2csc(SCc3ccncc3)n2)cc1 11856072 HTPQFRCEEYVHCF-UHFFFAOYSA-N 385.514 3.698 0 40 GHAB COc1cccc(CSc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn23)c1 16843983 CIDLQQGTYNABKJ-UHFFFAOYSA-N 382.420 3.525 0 40 GHAB C[C@@H]1CCCN(c2ccc3cccc(OCC(=O)NCc4ccco4)c3n2)C1 17245531 JBTDRRJAZFETCO-MRXNPFEDSA-N 379.460 3.759 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@@H](COc2ccncc2)C1 1775970823 RVUZIETYBPRIKU-OAHLLOKOSA-N 380.423 3.542 0 40 GHAB Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)NCc1cccs1 23138692 AIRKPLDVFZGUHI-AWEZNQCLSA-N 399.541 3.852 0 40 GHAB Cc1cc(NC(=O)c2ccc(O[C@H]3CCOC3)nc2)ccc1Br 225708919 JPQDXJBCLNNZNC-AWEZNQCLSA-N 377.238 3.573 0 40 GHAB COc1ccccc1CNC(=O)Cc1csc(Nc2ccc(Cl)cn2)n1 49029684 UFRYYFRTEDRHLF-UHFFFAOYSA-N 388.880 3.803 0 40 GHAB CCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 40133629 XHEAXVJNAXWINI-UHFFFAOYSA-N 376.478 3.577 0 40 GHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 10985421 FDZHDGWXNQVRQH-CHWSQXEVSA-N 399.468 3.946 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCCSc2ccccc2)C1 31354231 MPQHYGDETZXVJM-INIZCTEOSA-N 378.538 3.932 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1 905125 GHQPQOSAZJYPPQ-UHFFFAOYSA-N 395.532 3.543 0 40 GHAB COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCCC[C@H]3C)n12 928505 LROOCMICLOQBTK-CQSZACIVSA-N 384.505 3.693 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1 1380403 BUDQJHRBQVIYCO-UHFFFAOYSA-N 397.450 3.978 0 40 GHAB COCCN(C(=O)c1ccccc1OC)c1nnc(-c2ccc(F)cc2)s1 4880361 RSYUOTQSRNLUGH-UHFFFAOYSA-N 387.436 3.646 0 40 GHAB CCOc1ccc(CN(C)C(=O)CSc2nnc(-c3ccccc3)o2)cc1 6054774 HDYWJJWDJNDHRQ-UHFFFAOYSA-N 383.473 3.886 0 40 GHAB COc1cccc(C(=O)NC(=S)Nc2ccc(OC)c(Br)c2)c1 6275263 IRTCMACHKOSUJF-UHFFFAOYSA-N 395.278 3.593 0 40 GHAB CC1CCN(S(=O)(=O)c2csc(C(=O)NC3CCCCCC3)c2)CC1 6680710 ZETBLGYRTGUJJY-UHFFFAOYSA-N 384.567 3.621 0 40 GHAB COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680732 GHNDAQXBTQTPKN-UHFFFAOYSA-N 394.518 3.574 0 40 GHAB CCOC(=O)[C@@H]1CCCN(Cn2nc(-c3ccccc3Cl)oc2=S)C1 6999155 KTHIIVBQSVBPHC-GFCCVEGCSA-N 381.885 3.759 0 40 GHAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2F)N2C(=O)CCSC2=N1 2502052 KXOPRVYHIDGKFX-KRWDZBQOSA-N 376.453 3.675 0 40 GHAB C[C@H](Oc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)C(=O)c1ccccc1 102531737 CSLIFTIOUYTAQM-CCTJXGJQSA-N 387.435 3.648 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 9205982 BLPHRCIMFVZWKG-OAHLLOKOSA-N 390.505 3.803 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)C1 29900039 MLJJWWQUTGTMNQ-GOSISDBHSA-N 391.471 3.749 0 40 GHAB COc1cc2c(cc1CN1C[C@H]3CCC[C@H](C1)C3(O)c1ccccn1)CCC2 100149072 MYARDDFBXYNEKE-NHCUHLMSSA-N 378.516 3.699 0 40 GHAB COc1cc(/C=C/C(=O)Nc2ccccc2-c2nc(C)no2)cc(OC)c1OC 22461871 KDYMOCHPOQZLCM-MDZDMXLPSA-N 395.415 3.723 0 40 GHAB CN(C)C(=O)COc1ccccc1C(=O)Nc1cccc(OC2CCCC2)c1 23056672 NGCTWVXZUJAFAK-UHFFFAOYSA-N 382.460 3.727 0 40 GHAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cccnc1-n1cccn1 23170755 VPHHIQFWDSYUQV-UHFFFAOYSA-N 395.369 3.772 0 40 GHAB O=C(O)c1cc(-n2c(S)nnc2Cc2cc(F)cc(F)c2)ccc1Cl 12324602 BOSWDQRBEIQURG-UHFFFAOYSA-N 381.791 3.777 0 40 GHAB O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)NCc1ccccn1 12324988 GYOJGMFIUBGFHE-UHFFFAOYSA-N 393.390 3.963 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)c3ccc(F)cc3)c12 105435913 WFDSFSASSDMDHR-UHFFFAOYSA-N 380.331 3.970 0 40 GHAB CCn1cc(-c2nn3c(Cc4ccc(OC(F)(F)F)cc4)nnc3s2)cn1 61721156 CFZWOKOCZFCVDK-UHFFFAOYSA-N 394.382 3.559 0 40 GHAB C[C@@H](NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1)[C@H]1C[C@@H]2CC[C@@H]1C2 103130355 CQXMBIFZBHZLIH-AAVRWANBSA-N 397.924 3.849 0 40 GHAB COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)Cc1cccs1 24748354 ZBVAYIDNPAICTB-UHFFFAOYSA-N 387.288 3.912 0 40 GHAB Cc1nc(C2(NC(=O)/C=C/c3c(Cl)nc4ccccn34)CCCCC2)no1 55333621 JLZUOBSCSVZPSP-CMDGGOBGSA-N 385.855 3.668 0 40 GHAB O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1cccc2ncccc12 57358958 NEKQCYMWCOIPOS-UHFFFAOYSA-N 380.879 3.649 0 40 GHAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCC(C(=O)c3cc(F)ccc3F)CC2)[C@@H]1C 47797240 BUSAWCAGVPGSTE-STXHMFSFSA-N 392.490 3.800 0 40 GHAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1 57993190 UUJPVYXQSMVQTK-MRXNPFEDSA-N 381.904 3.658 0 40 GHAB CCOC(=O)COc1ccc2c(=O)c(Oc3ccc(OC)cc3)c(C)oc2c1 2096816 ADGUVFNUDIHISX-UHFFFAOYSA-N 384.384 3.844 0 40 GHAB biogenic C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCSc1ccc(Cl)cc1 58017119 SULDBAJYJUAWIF-CYBMUJFWSA-N 384.954 3.773 0 40 GHAB O=C(COc1cccc(Oc2ccccc2)c1)NCc1ccc2c(c1)OCO2 3229768 KNYLSZFQCGZJDA-UHFFFAOYSA-N 377.396 3.903 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)NCc2ccc(C)c(F)c2)c(OC)c1 10131566 NXVTYKPMXOHDDU-HXUWFJFHSA-N 386.467 3.605 0 40 GHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCc2ccccc2C1 36079835 WCXFLZKHMRSYFL-UHFFFAOYSA-N 397.862 3.605 0 40 GHAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1c2c(nc3ccccc13)CCC2 10213035 MDVAGVCRDOQPBC-UHFFFAOYSA-N 387.439 3.614 0 40 GHAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCC(N2CCCCC2)CC1 58210161 UXBCUPKBSHQQAH-UHFFFAOYSA-N 378.900 3.592 0 40 GHAB Cc1cc(C(=O)CSc2nnnn2Cc2cccs2)c(C)n1C(C)C 8229944 HEGBJGBZHWGHBO-UHFFFAOYSA-N 375.523 3.757 0 40 GHAB CC(C)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 8236185 RAUQUFJZWFLVPY-HSZRJFAPSA-N 391.471 3.532 0 40 GHAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)C1CCN(C(=O)C2CC2)CC1 10321795 XAYLAPPEHDOGBM-UHFFFAOYSA-N 388.471 3.588 0 40 GHAB O=C(Cn1c(C2CC2)nc2ccccc21)NCCc1ccc(OC(F)F)cc1 58313719 SLUGLKYMUYETID-UHFFFAOYSA-N 385.414 3.874 0 40 GHAB NC(=O)N[C@@H](CC(=O)NCCCSc1ccccc1)c1ccccc1Cl 29980728 WREMFACFZWKMOV-KRWDZBQOSA-N 391.924 3.738 0 40 GHAB Cc1sc2nc(CSCC(=O)Nc3ccc4[nH]ccc4c3)[nH]c(=O)c2c1C 36356846 XEFFXKPXHQAPFE-UHFFFAOYSA-N 398.513 3.955 0 40 GHAB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(SC(F)F)cc1 3371957 YDYHVEVCFVQQOK-UHFFFAOYSA-N 380.203 3.504 0 40 GHAB COc1ccc(-c2nnc(SCc3ccccc3Cl)n2N)cc1OC 2356379 WGNCJJQZIAZILS-UHFFFAOYSA-N 376.869 3.622 0 40 GHAB COCCNC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCC2 2364500 NYXGGVSSYNGBHU-VAWYXSNFSA-N 384.501 3.655 0 40 GHAB CN1CCN(c2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2)CC1 12728751 FKWUMEYXHAUEMP-UHFFFAOYSA-N 376.504 3.881 0 40 GHAB Nc1nccnc1C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 12799718 JSHQYLOHBVAMSM-UHFFFAOYSA-N 380.260 3.665 0 40 GHAB Cc1cnc(C(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cn1 12780406 LZOBDLQZFAWDML-UHFFFAOYSA-N 394.378 3.983 0 40 GHAB Cc1c(Cl)cccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 12885100 ABGOUVFYSFYUAW-UHFFFAOYSA-N 383.835 3.536 0 40 GHAB O=C1C[C@@H](c2ccccc2)N(CCOc2ccc(Cl)cc2Cl)CCN1 69393299 IYHQSQPJGNMKBW-KRWDZBQOSA-N 379.287 3.935 0 40 GHAB COc1ccc([C@H]2[C@@H](C(=O)N(C)C)CCC(=O)N2c2ccc(C)cc2)cc1OC 12996518 ZNOOETVSWMZDSA-AVRDEDQJSA-N 396.487 3.585 0 40 GHAB CC(C)[C@@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccc2c(c1)OCCO2 12921770 AWGOWXOJQVRNRE-MRXNPFEDSA-N 393.369 3.724 0 40 GHAB O=C(CSc1ccc(Br)cc1)NC(=O)NCc1ccccc1 3552442 WHPIFFHXTIIHMM-UHFFFAOYSA-N 379.279 3.567 0 40 GHAB Cc1cccc(CSCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1 13001956 IPAKUJIBZUIMAP-UHFFFAOYSA-N 382.529 3.781 0 40 GHAB Cc1ccn2cc(-c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)c3)nc2c1 13043475 YVRRAAJVEIJMOT-CALCHBBNSA-N 383.517 3.976 0 40 GHAB Cc1cc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)n1C1CC1 13000878 MNQLGMVIBSJMCB-DHZHZOJOSA-N 391.515 3.874 0 40 GHAB CCCC[C@@H](CC)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 3991766 WOWOUHYSSLRNCJ-OAHLLOKOSA-N 390.509 3.741 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc2nc(C3CC3)sc2c1 63879407 URBYIEZHWCRFBP-UHFFFAOYSA-N 394.499 3.823 0 40 GHAB COc1ccc(N2C(=O)C[C@@H](c3ccccc3OC)c3sc(=O)n(C)c32)cc1 49546375 JWKFXXXAZWQOCZ-INIZCTEOSA-N 396.468 3.664 0 40 GHAB COc1cc([C@@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)cc2c1OCCO2 49549505 WQWANWIKQAIHPX-KRWDZBQOSA-N 389.477 3.842 0 40 GHAB CC(C)CCn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O 5036704 PVEKEJGHYKFMTO-UHFFFAOYSA-N 395.528 3.851 0 40 GHAB Cc1ccccc1C(=O)N(Cc1ccc(C(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 5186204 GJOKXCQHMHHQJI-HXUWFJFHSA-N 385.529 3.948 0 40 GHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(F)c1 13856332 UVWASFLXRJNKHK-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB COc1cccc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCC6)n[nH]2)c1 6413014 IGHPJHYRDIKRFL-UHFFFAOYSA-N 388.456 3.893 0 40 GHAB O=C(CCCNC(=O)NC1CCCCC1)N[C@H]1CCSc2ccc(F)cc21 14199288 KZDWUWNYSCQUOP-KRWDZBQOSA-N 393.528 3.891 0 40 GHAB CN1CCCN(C(=O)c2nc(Cl)ccc2Cl)c2nc3ccccc3nc21 17364381 WOLSFEGJEYZQNG-UHFFFAOYSA-N 388.258 3.818 0 40 GHAB O=C(CCn1c(-c2cccs2)n[nH]c1=S)NCCCOc1ccccc1 14241093 YVJYKUSYDAICOX-UHFFFAOYSA-N 388.518 3.645 0 40 GHAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(SCC(=O)N2c2ccccc2)S1 4670935 JWGOBKFVRPOTKS-IBGZPJMESA-N 383.498 3.842 0 40 GHAB CCN(c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1)C(C)C 6608655 ZUHYBNODUGEQSY-UHFFFAOYSA-N 380.448 3.593 0 40 GHAB CN1C(=O)CS[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 8861895 TUKLOFIYJDTHEZ-OAQYLSRUSA-N 393.468 3.514 0 40 GHAB COc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1c(C)cc(C)cc1C 408987289 VYZAGEXWAULQMD-XLIONFOSSA-N 387.501 3.988 0 40 GHAB O=C(OC1CCCCCC1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 67799950 BTZHVPKRSYINKM-MOPGFXCFSA-N 382.460 3.526 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)NCCc3c[nH]c4ccccc34)o2)cc1 7485539 RBCOXPNXOPXPGG-UHFFFAOYSA-N 392.484 3.977 0 40 GHAB COc1ccc(C(=O)[C@H](C)OC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)cc1 7413428 JGZFKBNSIQCYAU-AWEZNQCLSA-N 387.432 3.634 0 40 GHAB Cc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)n2)s1 7734927 CMCINAPYLFJXGQ-LBPRGKRZSA-N 387.486 3.760 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc(-c2ccc(C(=O)O)cc2)o1 71283063 WFWCGAPRLUGDKE-CYBMUJFWSA-N 381.388 3.839 0 40 GHAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3)C2=O)cc1 409175974 GPVFQGHEMKMTGB-LDADJPATSA-N 396.468 3.933 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 19790137 FKIJVSAODMYYHV-UHFFFAOYSA-N 398.450 3.520 0 40 GHAB COc1cc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)ccc1OCc1ccccc1 9329380 AZLYXVZZBAUHND-WQRHYEAKSA-N 397.456 3.919 0 40 GHAB CCCCn1nnc(=NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)[nH]1 408629148 LZOQZZIUYNFURH-UHFFFAOYSA-N 380.235 3.714 0 40 GHAB CC(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(F)cc(F)c2)cc1 95956686 STCYPHQXGGJIOU-IBGZPJMESA-N 386.398 3.801 0 40 GHAB COCCOc1ccc(N(C)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1 95947735 SANLLBAETAANQQ-UHFFFAOYSA-N 380.444 3.881 0 40 GHAB CN(C)CCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915702 PPMFMAOFTZHACB-OZZKZOCUSA-N 389.580 3.562 0 40 GHAB in-vitro O=C(CCN1C(=O)c2ccccc2N[C@H]1c1ccccc1)Nc1ccccc1O 61720599 NPTHMEWTFXFWMY-JOCHJYFZSA-N 387.439 3.988 0 40 GHAB O=C(N[C@@H](c1ccccc1)c1cccs1)[C@H]1CCCN(c2cnccn2)C1 29860286 WOTBPVFLSKXAPZ-PXNSSMCTSA-N 378.501 3.660 0 40 GHAB COc1cccc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccccc2Cl)c1 35289418 YASGYKTYHBNXLC-SFHVURJKSA-N 387.867 3.661 0 40 GHAB Cc1ccc(C)c(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 32603939 JOGJBRGCJPSUKH-UHFFFAOYSA-N 376.464 3.812 0 40 GHAB O=C(c1nnn(-c2ccccc2F)c1-c1ccccn1)N1CCc2ccccc21 77199878 RZWMHIOTVVSPGF-UHFFFAOYSA-N 385.402 3.671 0 40 GHAB Cc1nn(C)c(C)c1CN(C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 72405812 IKLTZQSZFSWWRV-NRFANRHFSA-N 379.504 3.576 0 40 GHAB COc1cccc(C(=O)N2[C@@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)c1 71980497 HEVMWBLAFZWQLK-FIWNRLKKSA-N 375.465 3.553 0 40 GHAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc2c(c1)OCCO2 38501007 UKRCHBFNGAXGCK-UHFFFAOYSA-N 397.406 3.824 0 40 GHAB O=C1CCCN1Cc1ccccc1CNC(=S)Nc1ccc(F)c(F)c1 225652287 XUOCIKFYPNJVLO-UHFFFAOYSA-N 375.444 3.574 0 40 GHAB O=C(c1ccco1)N1CCC(NC(=O)C2(c3ccc(F)cc3)CCCC2)CC1 42061721 JOKGLJJKXBWUPR-UHFFFAOYSA-N 384.451 3.652 0 40 GHAB CC1CCN(c2cc(N3CCCCC3)nc(NC(=S)NC(C)(C)C)n2)CC1 225894279 RHJZGWKMESVDLX-UHFFFAOYSA-N 390.601 3.788 0 40 GHAB COc1cccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223028260 YPOUNHXROJMCAE-SFHVURJKSA-N 396.531 3.960 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 223683839 GCOFGEVCIRUQLS-HNNXBMFYSA-N 390.936 3.986 0 40 GHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)c(OC)c1 224795485 RKJKEKRIAJOPCM-RBUKOAKNSA-N 380.473 3.604 0 40 GHAB CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)c3cccs3)n2)cc1 223602029 PGGRQAULSSNLOF-UHFFFAOYSA-N 377.491 3.574 0 40 GHAB CC(=O)N1CCCC[C@@H]2[C@H]1CCN2Cc1c(C)nn(-c2ccc(F)cc2)c1C 257232271 GKCMVOHJWDDZHG-FGZHOGPDSA-N 384.499 3.604 0 40 GHAB CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CCOc3ccc(C)cc3C2)cc1 585082309 AGDNGKVQQVLFBV-SFHVURJKSA-N 381.472 3.705 0 40 GHAB Cc1nc(-c2ccccc2)c(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)s1 257198607 DEVGDKXDTDIEIR-DOTOQJQBSA-N 391.496 3.540 0 40 GHAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21 663733587 FHQRSTPMLDDYOM-FDFHNCONSA-N 397.469 3.567 0 40 GHAB Cc1nn(C)c(C)c1[C@@H](C)c1nc([C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)no1 665005980 PQGMBKPLOCWUCJ-KHYOSLBOSA-N 395.507 3.534 0 40 GHAB COc1ccc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c(C)c1 1615118140 ARTWAVDNGVMBRJ-QHCPKHFHSA-N 398.478 3.541 0 40 GHAB CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CC1 1772820598 YRWMWDLEUYLURJ-SHTZXODSSA-N 378.419 3.896 0 40 GHAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 7078259 JSIKDTKREJVTGX-VMOJBDSFSA-N 388.489 3.523 0 40 GHAB CC(C)n1cc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c2ccccc21 12088781 NWVCHKQQZWVOBG-UHFFFAOYSA-N 399.498 3.926 0 40 GHAB Cc1noc(C)c1C(=O)N1CCC[C@H](n2nnc3cc(C(F)(F)F)ccc32)C1 12184895 DJHBDANOKKDZCV-ZDUSSCGKSA-N 393.369 3.532 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 12772789 DIQGLBXISJTZFZ-LJQANCHMSA-N 393.531 3.659 0 40 GHAB O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)Nc1cc(Cl)ccc1Cl 13636761 GZPSWKPTNKAEFR-KRWDZBQOSA-N 393.270 3.750 0 40 GHAB CNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccc(Cl)cc1Cl 16886839 XNPOSJUOSWMHKJ-SXGWCWSVSA-N 379.243 3.519 0 40 GHAB Cc1ccc(C(=O)Nc2nc(-c3c(C)n(C)c4ccccc34)cs2)c(=O)n1C 19131885 VRVRVNPIPKWZRP-UHFFFAOYSA-N 392.484 3.870 0 40 GHAB CCOc1ccccc1-c1nnc(NC(=O)c2ccc3c(c2)ncn3C)s1 19666068 RULZSKOROFPZTK-UHFFFAOYSA-N 379.445 3.743 0 40 GHAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3c3ccc(-c4ccc(N)nc4)cn3)c2c1 19688657 JDBBUJIQXUCSHQ-HXUWFJFHSA-N 398.470 3.888 0 40 GHAB Cc1c(C(=O)Nc2cccc(CN3CCCC[C@H]3C)c2)sc2nc[nH]c(=O)c12 19717816 ZPLRKRXWMBVPCH-CYBMUJFWSA-N 396.516 3.920 0 40 GHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1Cn1cccn1 19719190 UIVIOOCGYQFVDB-UHFFFAOYSA-N 397.862 3.676 0 40 GHAB O=C(NCC1CCN([C@H]2CCSC2)CC1)C1(c2cccs2)CCCC1 225570617 VSOKYTCHLQFFOW-KRWDZBQOSA-N 378.607 3.894 0 40 GHAB COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4ccccc4OC)C[C@H]23)c1 19019457 RELRXEJJRGSJKL-DNVJHFABSA-N 394.515 3.540 0 40 GHAB Cc1ccnn1-c1ccc(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)cc1 591249408 CHTVVMQEIGBJNG-SFHVURJKSA-N 390.487 3.826 0 40 GHAB Cc1ccc(Cn2ncc3c(C(=O)O[C@H]4CCCCC4=O)cc(C)nc32)cc1 16407634 CREUMSITSGHLLW-FQEVSTJZSA-N 377.444 3.765 0 40 GHAB CC(=O)Nc1ccc(CN2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc1 1888853835 DDDWJXBSXSRANC-OALUTQOASA-N 381.524 3.902 0 40 GHAB O[C@@H](COCc1ccccc1F)CN1CC(Cc2ccccc2C(F)(F)F)C1 1254761628 QQJDVDSUIUPFCI-GOSISDBHSA-N 397.412 3.897 0 40 GHAB CS(=O)(=O)c1ccc(CCC(=O)NCc2cc(-c3ccoc3)cs2)cc1 1888960415 KNKXFUUKSYKQCE-UHFFFAOYSA-N 389.498 3.661 0 40 GHAB COc1ccc(CN2CC3(CCN(C(=O)[C@@]4(C)CC=CCC4)CC3)CC2=O)cc1 1614932429 AIBUZYOLSDEIKU-QHCPKHFHSA-N 396.531 3.783 0 40 GHAB Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2cccc(C(F)(F)F)c2)cs1 1565551679 URURZUGTZWTGRI-IRXDYDNUSA-N 395.450 3.846 0 40 GHAB CCc1nnc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)s1 2723656 MFYKLBMBSMCRJU-UHFFFAOYSA-N 379.898 3.670 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 4539681 DJMRHKGWKAZENI-YSSFQJQWSA-N 388.467 3.958 0 40 GHAB CCc1ccc2nc(N3CCN(C(=O)c4ccccc4OC)CC3)sc2c1 5181018 ONZSGIZISSJLKT-UHFFFAOYSA-N 381.501 3.830 0 40 GHAB CCOc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)cc1 10335570 HXTDXNPXHSUIDW-QFIPXVFZSA-N 398.528 3.820 0 40 GHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc21 17247985 LUPCJCICVWUIPP-UHFFFAOYSA-N 376.453 3.624 0 40 GHAB CC(C)[C@@H](Cn1cncn1)NC(=O)c1ccc2noc(-c3ccccc3)c2c1 575616808 MXDDMYVBENUXQT-LJQANCHMSA-N 375.432 3.541 0 40 GHAB COc1ccc2nc(NC(=O)c3ccc(OCc4nccn4C)cc3)sc2c1 40119380 NLEFDOOUGZKXSA-UHFFFAOYSA-N 394.456 3.870 0 40 GHAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N1CCCC1 11120246 URVLMRSPSKWYQZ-UHFFFAOYSA-N 384.501 3.608 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NS(=O)(=O)CC)c1 28966077 WLYYRAVYTCFGRU-UHFFFAOYSA-N 386.926 3.825 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 1367993 XAQOMOZGLFIXRD-RYUDHWBXSA-N 391.562 3.745 0 40 GHAB Cc1nc(N2CCN(C(=O)c3cccc(F)c3)CC2)c2c(C)c(C)sc2n1 1377236 ZGGBSMWHYKOGPV-UHFFFAOYSA-N 384.480 3.718 0 40 GHAB O=C1c2ccccc2C(=O)N1CSc1nc(NC2CC2)c2ccccc2n1 31784557 HXRLSMCQLFQJCH-UHFFFAOYSA-N 376.441 3.550 0 40 GHAB COc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CC(C)(C)OC3)cc1OC 2779447 BGWIYNOSFPSWQD-UHFFFAOYSA-N 391.445 3.567 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 7872030 NWCMFBSUKWRCQX-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)c1C 21017087 FVINCSYBLORTOB-UHFFFAOYSA-N 378.451 3.795 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(F)c(F)c2)cc1 8035292 CPSOSTYJJQCBPN-SFHVURJKSA-N 396.459 3.605 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)c(C)cc1Br 32601571 BEXGJEMYOIQYRP-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB COc1cccc(C(=O)N(C)C[C@H]2CC[C@H](c3cc(CN(C)C)n(C)n3)CC2)c1 100687628 MGOVFUJABRUSOZ-HDICACEKSA-N 398.551 3.536 0 40 GHAB O=C1C(Cl)=C(Nc2cccc(O)c2)C(=O)N1c1cccc(C(F)(F)F)c1 11990256 AGDZUOACLFSHBS-UHFFFAOYSA-N 382.725 3.847 0 40 GHAB C[C@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)c1ccc(Cl)cc1 32910800 XLLXDNGLNBCAAF-ZDUSSCGKSA-N 384.819 3.637 0 40 GHAB Cc1cccc(-c2nc(NC(=O)COc3ccc(Br)cc3)no2)c1 21806506 JJNMXGVFYROJKM-UHFFFAOYSA-N 388.221 3.825 0 40 GHAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCCOCCO)ncnc32)cc1 2714354 OXKCMIOMGNSAHP-UHFFFAOYSA-N 388.471 3.817 0 40 GHAB c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCCC4)c23)c1 22341333 QZCLFOYXYZRNDM-UHFFFAOYSA-N 386.546 3.852 0 40 GHAB Cc1nc(CCNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cs1 22992361 JPRJVJVRZZRNGA-UHFFFAOYSA-N 394.422 3.937 0 40 GHAB NC(=O)c1c(NC(=S)NC(=O)c2ccccc2Cl)sc2c1CCCC2 939402 ZAVPVROTYBRSOP-UHFFFAOYSA-N 393.921 3.506 0 40 GHAB COc1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c(OC)c1OC 24209751 FARJDPADNYOXJU-AWEZNQCLSA-N 377.437 3.818 0 40 GHAB COc1ccc(C(=O)COC(=O)Cc2c(C)nc3ccccc3c2C)c(OC)c1 7987063 XQRHIFPLTDQZAZ-UHFFFAOYSA-N 393.439 3.837 0 40 GHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 24831820 HEVGKGSPJGGMSY-QINHECLXSA-N 390.574 3.918 0 40 GHAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc1 1303162 NWWWUGGNWXUAPV-LJQANCHMSA-N 381.501 3.744 0 40 GHAB C[C@H](OCc1ccccc1)C(=O)NCc1cccc(NC(=O)c2ccco2)c1 25150845 YYHSSXFJTBFVKI-INIZCTEOSA-N 378.428 3.753 0 40 GHAB O=C(Nc1ccc2c(c1)OCCCO2)C1CCN(C(=O)Nc2ccccc2)CC1 12568793 OTMHHTHLBDZOPR-UHFFFAOYSA-N 395.459 3.731 0 40 GHAB O=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 25874129 IPRXOBIPSPCQQA-UHFFFAOYSA-N 399.921 3.572 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1OC 8075908 VDHLXFSCOJFMJW-WGLAMXGCSA-N 395.455 3.852 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cc(Cl)ccc1OC 3269843 RLYMXOOGAFQPJB-UHFFFAOYSA-N 383.231 3.978 0 40 GHAB Cc1cc(Cl)ccc1OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3281750 ZLNBUZJXUMZFAA-UHFFFAOYSA-N 379.865 3.652 0 40 GHAB CCN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 20014001 KXNCFFFEQXJDCC-HNNXBMFYSA-N 394.924 3.536 0 40 GHAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3cccc(F)c3)C[C@@H]21 306127009 FLJLGRLPYUUMSH-IRLDBZIGSA-N 394.471 3.643 0 40 GHAB COc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)C(C)C 10428940 XFCYCYVSKIZMKP-NRFANRHFSA-N 395.503 3.689 0 40 GHAB COc1cc(/C=C/C(=O)NCC(=O)O)ccc1OCc1ccc(C(C)(C)C)cc1 62715784 ZDPCRIOWBPCMAM-XYOKQWHBSA-N 397.471 3.786 0 40 GHAB COc1ccc(Br)cc1CN(C)CC(=O)N[C@@H](C)c1ccccc1 3363802 GOOXQPCEWUGREW-AWEZNQCLSA-N 391.309 3.767 0 40 GHAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(S(C)(=O)=O)c1 12769428 ILNAOBYBOAQGRG-UHFFFAOYSA-N 378.500 3.836 0 40 GHAB COc1cc(/C=C/C(=O)Nc2ccc(OC)c(OC(F)F)c2)cc(OC)c1 12773426 YCKBAPPSSBWEQS-QPJJXVBHSA-N 379.359 3.966 0 40 GHAB CN(C)C[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 12744745 TVVNXGHHEHQZEQ-QFIPXVFZSA-N 387.483 3.972 0 40 GHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)CC(=O)Nc1cccc2ccccc12 8156783 ZNWNXJPKEDZNDN-OAHLLOKOSA-N 380.419 3.843 0 40 GHAB CCc1nc([C@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)cs1 48363611 BCVGRIKWCIGPQT-QFIPXVFZSA-N 393.512 3.915 0 40 GHAB COc1ncccc1C(=O)Nc1nc(-c2ccc(F)cc2NC(C)=O)cs1 12823854 PBJTYULJLGXUSA-UHFFFAOYSA-N 386.408 3.564 0 40 GHAB Cc1cccc(C)c1OCc1nnc(S[C@H]2CCOC2=O)n1-c1ccccc1 3406536 CFSJIZWWLVKADO-KRWDZBQOSA-N 395.484 3.871 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 5126863 ZEYCGWRPHZAINN-NPFQLIISSA-N 384.476 3.732 0 40 GHAB CC[C@@H](C)NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 113937736 SXJNLWJHRBQERO-QGZVFWFLSA-N 388.533 3.722 0 40 GHAB CCCCNC(=O)COCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC 13942154 ONXVVKZNYWZYPE-UHFFFAOYSA-N 381.476 3.686 0 40 GHAB Cc1c(-n2c(S)nnc2-c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 6383617 GBCFGQRWTQEHRA-UHFFFAOYSA-N 397.891 3.674 0 40 GHAB CC(C)Sc1nc(N2CCOCC2)c2sc3c(c2n1)COC(C)(C)C3 6764529 MUUWNEWDZFLSOZ-UHFFFAOYSA-N 379.551 3.880 0 40 GHAB C[C@@H]1C[C@H]1C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 5701964 LSRTYYSOTPGZAS-VMGRFDJRSA-N 386.835 3.810 0 40 GHAB CCn1nnc2cc(C(=O)N[C@H](c3ccccc3)c3ccc(OC)cc3)ccc21 6880820 NOEBOMCETXTRTD-JOCHJYFZSA-N 386.455 3.979 0 40 GHAB Cc1sc2ncnc(N3CCC(C(=O)Nc4ccccc4O)CC3)c2c1C 15141453 HFBDWAZIKOKPKV-UHFFFAOYSA-N 382.489 3.869 0 40 GHAB Cc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)Nc1ccccc1 409380310 BYQSNWSSCNQZCR-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB O=C(Nc1cc(O)nc2nc(-c3ccc(Cl)cc3)nn12)c1ccc(F)cc1 9087440 DTDLFEVDXNKMGE-UHFFFAOYSA-N 383.770 3.542 0 40 GHAB COC(=O)c1ccc(-c2ccc([C@@H]3CC(O)=Nc4c3c(=O)[nH]n4C(C)C)o2)cc1 71282535 PYPLNKWERFIPQD-AWEZNQCLSA-N 395.415 3.928 0 40 GHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc(OC)c1O 9154754 JZAAKNBQJDXSCQ-HXUWFJFHSA-N 380.400 3.769 0 40 GHAB O=C(Nc1ccc(C2=NN=C(NC[C@@H]3CCCO3)SC2)cc1)c1ccccc1 9882795 DRJUBOAMZOJUEK-SFHVURJKSA-N 394.500 3.514 0 40 GHAB COC(=O)[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)C(C)(C)C 72292286 DFSMLVUHODTWPE-OAHLLOKOSA-N 389.477 3.710 0 40 GHAB Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H](Nc4ccccc4)C3)cc2)co1 84271913 YBRNZSZHFBAXSS-LJQANCHMSA-N 397.500 3.915 0 40 GHAB C[C@@H](NC(=O)[C@@H](C)N1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 23248940 VLFYJEQKEWNILC-QZTJIDSGSA-N 385.939 3.724 0 40 GHAB CC(C)(C)c1nnc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)s1 95944174 WPHHCLXHEZQVMF-UHFFFAOYSA-N 379.429 3.796 0 40 GHAB C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)Cc1nnc(O)c2ccccc12 543732537 AYRHIGZGMWTOSX-GFCCVEGCSA-N 389.377 3.644 0 40 GHAB COc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccc(F)c4)C2)OC3)cc1 306123826 AXZIXLFHTJMPPC-QHCPKHFHSA-N 393.462 3.873 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(-n2ccnc2)cc1 30755652 DROCCOZDWCOHMI-UHFFFAOYSA-N 376.243 3.874 0 40 GHAB COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)cc(OC)c1 36360591 QIJRTBREJZIORI-UHFFFAOYSA-N 399.374 3.627 0 40 GHAB COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cccs1 521096361 FJBNTXNBVLWRKH-GZBFAFLISA-N 383.391 3.901 0 40 GHAB O=c1c2ccccc2c(-c2nc(-c3cccnc3)no2)nn1-c1ccc(F)cc1 38486470 GXWQYJWGOLMPBF-UHFFFAOYSA-N 385.358 3.637 0 40 GHAB Cc1nc2c(-c3ccccc3)nc(=O)n(CC(=O)Nc3ccccc3C)c2s1 32616561 KVLGLZNKKUZLSY-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 40156685 IDZIREOXRBDOEL-FQEVSTJZSA-N 376.460 3.611 0 40 GHAB CCc1nc(S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)O)n[nH]1 213399423 XPKWPDIMJYDRDF-ZROIWOOFSA-N 385.401 3.543 0 40 GHAB COc1cccc(-c2cn3c(COc4ccc5c(c4)OCO5)nnc3s2)c1 45221602 GIEFORLUBCMZNS-UHFFFAOYSA-N 381.413 3.774 0 40 GHAB O=C(Cc1ccncc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 72358836 KADSXPPMJTZUFE-KRWDZBQOSA-N 376.435 3.626 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 222446039 LPADMADVBXTXLH-SFHVURJKSA-N 384.545 3.949 0 40 GHAB CC(C)c1cc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)nn1-c1ccccc1 225414174 DSPRTHWEBLWIDE-WIYYLYMNSA-N 380.536 3.990 0 40 GHAB biogenic COc1cccc(N(CCCC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1 222587291 ZCYHHPLJKWYWJP-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223869440 URZRFXZUQGNBOT-ACJLOTCBSA-N 395.908 3.778 0 40 GHAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(OC)c(C)c1 225753651 AUWDHDXEHOAEDQ-SFHVURJKSA-N 390.505 3.646 0 40 GHAB CCCNC(=S)Nc1nc(N2Cc3ccccc3C2)cc(C(F)(F)F)n1 225887079 WFDCQYJKAAPPNM-UHFFFAOYSA-N 381.427 3.712 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N3CCCCCC3)c2)cc1 224260153 NJCOIICKMNWYHD-UHFFFAOYSA-N 386.517 3.836 0 40 GHAB Cc1cccc(C(=O)NC(=S)Nc2cc(C)c(O)c(Br)c2)c1 226243573 PBKLDFKHJTXYAP-UHFFFAOYSA-N 379.279 3.898 0 40 GHAB O=C(OCc1ccc(Br)cc1)c1snnc1-c1cccnc1 223852015 ORVMBCPQDUAWCP-UHFFFAOYSA-N 376.235 3.720 0 40 GHAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)c1cc(-c2ccccc2)on1 225586484 AJMHTRADGHWUGE-HXUWFJFHSA-N 380.425 3.662 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1 225424375 ZDIABFFXHSRAJU-PMACEKPBSA-N 380.532 3.994 0 40 GHAB Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1C 223411878 NGWRQANSXOTVBD-SFHVURJKSA-N 388.533 3.564 0 40 GHAB CC[C@H](C(=O)Nc1ccc(Cl)cc1C)N(c1ccccc1F)S(C)(=O)=O 220590679 IORDMGBWGFLWML-MRXNPFEDSA-N 398.887 3.971 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccnc3)cc2C)cc1 224208171 LPVSGURVZIHJKJ-UHFFFAOYSA-N 395.484 3.776 0 40 GHAB CN1CCN(C(=O)c2ccc3onc(-c4coc(-c5ccccc5)n4)c3c2)CC1 96147752 KZGAMPPJMINOBQ-UHFFFAOYSA-N 388.427 3.537 0 40 GHAB CN(C)CCNC(=O)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 96154321 CHGWPGUUCMBUQZ-UHFFFAOYSA-N 394.406 3.580 0 40 GHAB Cc1nc(-c2ccccc2)nc2c1COC[C@]21CCN(Cc2c(C)noc2C)C1 96244644 NHSKKNMUMCHBHR-HSZRJFAPSA-N 390.487 3.731 0 40 GHAB Cc1ccccc1CN1CC[C@]2(COCc3cnc(NCc4ccco4)nc32)C1 96080360 MYRFXKFUSRBYHS-HSZRJFAPSA-N 390.487 3.664 0 40 GHAB CCn1cc(CN2CCO[C@H](c3cccc(Cc4ccccc4C)n3)C2)cn1 257323243 WJHONWABDDCOHK-QHCPKHFHSA-N 376.504 3.771 0 40 GHAB C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)N[C@@H]1CCC[C@@H]2N3C(=O)COc1ccccc1 257252967 JWYLGEDGFHKGKD-ACUMWEPGSA-N 390.527 3.808 0 40 GHAB CN(CC(=O)O)[C@H]1CCCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 263487865 NKZFNDDYCHZRHI-SFHVURJKSA-N 381.476 3.756 0 40 GHAB C[C@H](NC(=O)N1CCC[C@@H](n2ccnc2)C1)c1ccc(OC(F)(F)F)cc1 590850541 RKRBVKFWEAMPGF-DZGCQCFKSA-N 382.386 3.889 0 40 GHAB COc1ccccc1NCC(=O)Nc1cccc(CN=S2(=O)CCCC2)c1 1650691494 PWHCLOUYUJIVTK-UHFFFAOYSA-N 387.505 3.508 0 40 GHAB COc1ccc([C@H](NC(=O)NCc2nc3ccccc3n2C)C(C)C)cc1OC 604419344 CDKOQJXVICHJHE-OAQYLSRUSA-N 396.491 3.787 0 40 GHAB Cc1nc(NCCNC(=O)Nc2cccc(Cl)c2)cc(Nc2ccccn2)n1 90607999 YIIJMXVKMHMUCI-UHFFFAOYSA-N 397.870 3.811 0 40 GHAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCC(O)(COc3ccccc3F)CC2)CC1 585285929 FLEWBOYXPRDBNN-CXGRPWHSSA-N 393.543 3.999 0 40 GHAB Cc1ccn(CCC(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)n1 1615153191 BBDPOVNQHGSVQK-PMACEKPBSA-N 384.499 3.769 0 40 GHAB CC1(C)C[C@]2(CCCN2C(=O)CCCn2cccn2)CN1c1cccc(F)c1 1615160186 XSGHGCXNFOYHOR-JOCHJYFZSA-N 384.499 3.853 0 40 GHAB COCCOc1cc(CN2CCC[C@H]2c2cc3cccnc3[nH]2)ccc1OC 12222526 RGOZZDYEWGSRGH-IBGZPJMESA-N 381.476 3.934 0 40 GHAB COc1ccc2c(c1)C=C(CN1CCC[C@](O)(c3ccc(F)cc3)CC1)CO2 12251869 ULUWDLHCBOMXDH-HSZRJFAPSA-N 383.463 3.984 0 40 GHAB CC[C@H](CN1CCCC1)NC(=O)Cc1csc(Nc2ccccc2F)n1 12362856 JOYCFDVCFQLQGW-CQSZACIVSA-N 376.501 3.559 0 40 GHAB O=C(NC1CCN(C(=O)/C=C/c2c(F)cccc2Cl)CC1)c1ccccc1 12864202 DQOXMEJNNNATOZ-MDZDMXLPSA-N 386.854 3.913 0 40 GHAB CC(C)c1ccc(OCC(=O)Nc2ccccc2C(N)=O)c(Br)c1 13683946 AISABAOBYQWRGF-UHFFFAOYSA-N 391.265 3.689 0 40 GHAB COc1ccc(/C=C2\SC(=O)N(CN3CCCCCC3)C2=O)cc1OC 16227136 MRZHIVXEOWCCAH-ATVHPVEESA-N 376.478 3.574 0 40 GHAB COc1ccc2c(C(F)(F)F)cc(S[C@@H]3CCS(=O)(=O)C3)nc2c1 16227842 XQRFEPFJNXRWKZ-SNVBAGLBSA-N 377.409 3.541 0 40 GHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc(-c2cccc(F)c2)c1 19330675 CMFBQJQDXZQAHG-UHFFFAOYSA-N 395.434 3.686 0 40 GHAB COc1cc2c(cc1-c1cncn1C[C@@H](C)N1CCC(C)CC1)OCCCO2 19720014 DNPPTXZXOYVYJP-QGZVFWFLSA-N 385.508 3.840 0 40 GHAB O=C(C1CC1)N1CCC2(CC1)C[C@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21 12120956 IRENAYAEFJRMGP-JOCHJYFZSA-N 397.906 3.943 0 40 GHAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(CCc3ccccc3)CC2)C1 12366019 YWKWLJDCORIPBA-DEOSSOPVSA-N 378.516 3.895 0 40 GHAB COc1ccc(CCNC(=O)N2CCC([C@H]3CCCCO3)CC2)c(Cl)c1 660896852 VZHLTZUBHRMJEG-LJQANCHMSA-N 380.916 3.882 0 40 GHAB COc1ccc(C(=O)N2CCCC[C@H]3NCC[C@H](c4ccccc4)[C@H]32)c(OC)c1 19551948 OHFVDQLEYKJGON-KJXAQDMKSA-N 394.515 3.844 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@H](C)C3 6540777 DYRFLNZLUPBWPE-NWDGAFQWSA-N 393.578 3.610 0 40 GHAB CC[C@H](C)NC(=O)CSc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 7104736 AKQJEAYJVQVGDH-INIZCTEOSA-N 387.553 3.573 0 40 GHAB COc1ccc(C)cc1CN(C)C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 37117684 IADFXGFPZCKNIE-OAQYLSRUSA-N 378.472 3.926 0 40 GHAB COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)ccc2C)c1 8843867 VCHCCPPLJHPKJB-IBGZPJMESA-N 381.501 3.744 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NC2CCCCCC2)cc1 15390846 UMDCXPODVCAXFS-LJQANCHMSA-N 392.565 3.767 0 40 GHAB CCCCn1c(SCC(=O)NC(C)C)nc2c(-c3ccccc3)c[nH]c2c1=O 17271515 ZFYMLTAUJXQAKA-UHFFFAOYSA-N 398.532 3.808 0 40 GHAB O=C(Nc1nccs1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 18029229 LXGOMRVNIRYUCR-UHFFFAOYSA-N 393.877 3.850 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1cc(-c2ccco2)cs1 1775971303 ILJMNZUNPVUBML-CQSZACIVSA-N 397.905 3.982 0 40 GHAB Cc1cc(C)c2nc(N3CCCN(c4ccc5nccn5n4)CC3)sc2c1 2086868809 MJOMEJVPUUKYJD-UHFFFAOYSA-N 378.505 3.673 0 40 GHAB Cc1ccc(C2=NC3(CCN(Cc4ccccc4Cl)CC3)NC2=O)cc1C 35430849 VHTQTOSEODDWKG-UHFFFAOYSA-N 381.907 3.868 0 40 GHAB biogenic CSc1cccc(Nc2c(C(=O)N3CCOCC3)cnc3nc(C)ccc23)c1 49004855 BMMKXIOARVMFKI-UHFFFAOYSA-N 394.500 3.876 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)N2c3ccccc3C[C@H]2C)cc1OC 36394261 WUCVHEGVLFYVGJ-VQIMIIECSA-N 380.488 3.819 0 40 GHAB Cc1ccc(S(=O)(=O)NCc2cccnc2OC2CCCC2)c2cccnc12 40091354 AQAMLFATNWOLRT-UHFFFAOYSA-N 397.500 3.738 0 40 GHAB CSc1ccc([C@H](C)NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 40133770 UJGLNBKVRKIDAE-ZFWWWQNUSA-N 390.940 3.946 0 40 GHAB O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1cccnc1S 40112630 NOHHMRADMFPJPE-SFHVURJKSA-N 395.553 3.961 0 40 GHAB CCC(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@H]1c1ccccc1C 645071 SJZMLBMJCPXGMH-FQEVSTJZSA-N 399.516 3.844 0 40 GHAB O=C(O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccncc1 1041517 GMWNQDTXFHCFJL-UXHICEINSA-N 376.387 3.786 0 40 GHAB COc1cc(S(=O)(=O)NCCc2c(C)[nH]c3c(C)cccc23)c(C)cc1C 1074498 IVJGNIJOQDBJOD-UHFFFAOYSA-N 386.517 3.931 0 40 GHAB COC(=O)C[C@H]1COc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 1384142 PQERKUUXYXXLBT-AWEZNQCLSA-N 379.334 3.676 0 40 GHAB CC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)O 2103936 IAIBVCIXXTYFKN-QGZVFWFLSA-N 399.443 3.685 0 40 GHAB biogenic CC(=O)[C@H]1C[C@H](CC(=O)NC(=S)Nc2ccc(Br)cc2)C1(C)C 3101755 AJXAZWSGDCCIBF-BXUZGUMPSA-N 397.338 3.904 0 40 GHAB CCOc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 3185977 BSZWWILKTPXNHR-UHFFFAOYSA-N 379.865 3.684 0 40 GHAB CC(C)CN(C(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2s1 3297566 TZQWNZXLDXSCDD-UHFFFAOYSA-N 392.484 3.846 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2F)cc1 3368542 XDKPHNGYRIEOMU-CYBMUJFWSA-N 396.509 3.632 0 40 GHAB CC(C)OC(=O)c1c(NC(=O)COC(=O)c2ccco2)sc2c1CCCC2 3510835 AFEZLZOVUDCSRD-UHFFFAOYSA-N 391.445 3.581 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)CC1 4004555 DZSNLPKCJXQVPB-UHFFFAOYSA-N 397.500 3.787 0 40 GHAB COc1ccc(NC(=O)CSc2nccn(-c3cc(C)cc(C)c3)c2=O)cc1 4484245 NPFMDEPZBRZPLK-UHFFFAOYSA-N 395.484 3.589 0 40 GHAB Cc1ccccc1N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccccc1 4996135 CDICMSMBBWJQCO-UHFFFAOYSA-N 394.496 3.507 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 5154822 JSWSYVLACOOCCS-UHFFFAOYSA-N 381.457 3.566 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(COc2cccc(C)c2)o1 5294747 LXQLBEWXQYJANI-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB Cc1nc2sc(C(=O)O[C@H](C)C(=O)c3c[nH]c4ccccc34)c(C)c2c(=O)[nH]1 5311323 OUOZXFYEUCUXET-SNVBAGLBSA-N 395.440 3.511 0 40 GHAB COc1cccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)c1 5438740 GUNZMQYIBNKBIH-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB O=C([C@@H]1CCCN(Cc2ccncc2)C1)N1CCC(Cc2ccccc2)CC1 5813982 ZAJBBSLDNHIDGQ-HSZRJFAPSA-N 377.532 3.775 0 40 GHAB CCC(=O)Nc1cccc(NC(=O)c2ccccc2I)c1 5856453 NFOAVJZYBYMJIC-UHFFFAOYSA-N 394.212 3.892 0 40 GHAB COc1ccc(-c2nnc(SCc3coc(-c4cccs4)n3)n2N)cc1 6100564 FKJJKYFKZDWZMA-UHFFFAOYSA-N 385.474 3.676 0 40 GHAB CCN1CCN(c2ccc(NC(=O)COc3ccc(C)cc3)cc2Cl)CC1 6241862 WRGUJQRAQAVXAN-UHFFFAOYSA-N 387.911 3.808 0 40 GHAB COc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(OC)c1OC 6324894 JTIVXSKOLCNUOA-ZHRUAKFBSA-N 378.494 3.802 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(C)=O 6652078 NPMDJWOGONSVRS-UHFFFAOYSA-N 389.260 3.761 0 40 GHAB COc1ccc(Cc2nc3c4c(C)c(C)n(Cc5ccco5)c4ncn3n2)cc1 6760640 ZZXVSFCUWKAXRL-UHFFFAOYSA-N 387.443 3.937 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2ccccc2)ccc1C 7986313 INQXWSWPHOMDHD-UHFFFAOYSA-N 392.546 3.756 0 40 GHAB CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccccc1OC 8090471 IAVBUZZQRJLJIK-UHFFFAOYSA-N 396.516 3.823 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(F)cc1F 8310315 JLECLUJJHIFWIZ-GOSISDBHSA-N 388.414 3.902 0 40 GHAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1sc(C)nc1C 8390620 XXBBMRSEPPLOAZ-UHFFFAOYSA-N 398.488 3.873 0 40 GHAB Brc1cc2c(cc1COc1ccc(-c3nnco3)cc1)OCCO2 8429138 CHNSJKCEMGIGMJ-UHFFFAOYSA-N 389.205 3.849 0 40 GHAB Cn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1C(F)(F)F 8744672 YFPZENZDTZFPRN-UHFFFAOYSA-N 398.382 3.879 0 40 GHAB CCOc1ccc(N2C[C@@H](CNC(=O)Nc3ccccc3OCC)CC2=O)cc1 9039630 QLVMURFLHLAXQP-MRXNPFEDSA-N 397.475 3.659 0 40 GHAB CCc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(C)cc1 9237329 MPVLGYSRJPAQKS-OALUTQOASA-N 393.516 3.855 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NCc2ccc(C)c(F)c2)c1 10130558 ISFDLYNJCMXUDS-HXUWFJFHSA-N 386.467 3.605 0 40 GHAB CCOc1ccc(-c2noc(-c3nnn(-c4ccc(C)cc4C)c3N)n2)cc1 10273100 GTDVFGLGGBNEDB-UHFFFAOYSA-N 376.420 3.582 0 40 GHAB O=C(Nc1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CC1 10669934 FOLIMFBBXPUNBS-UHFFFAOYSA-N 399.299 3.820 0 40 GHAB Cc1oc(-c2cccs2)nc1COC(=O)CCn1c(=O)oc2ccccc21 10717185 PGHATWVZGPWMSD-UHFFFAOYSA-N 384.413 3.753 0 40 GHAB Cc1nn(C)c(C)c1C(=O)OCC(=O)c1cc(C)n(Cc2ccc(F)cc2)c1C 10954346 PTKQJNISAKHJSZ-UHFFFAOYSA-N 397.450 3.682 0 40 GHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3cccc(C)c3)ccc21 10972360 FCDZLHZMOQOPSZ-UHFFFAOYSA-N 382.460 3.784 0 40 GHAB Clc1ccc(OCc2nnnn2Cc2ccccc2)c(Br)c1 11392722 KFWMKYCOLFZDNK-UHFFFAOYSA-N 379.645 3.716 0 40 GHAB O=C(CCS[C@H]1CCc2ccccc2N=C1O)NC1Cc2ccccc2C1 12323192 SDKSWFUBDLLXKU-FQEVSTJZSA-N 380.513 3.996 0 40 GHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)c1 12327347 VBZSYSJIJVEURO-ZDUSSCGKSA-N 382.489 3.665 0 40 GHAB COc1ccc(N2C[C@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)c(OC)c1 12414353 QSOQGJUUVHJIFK-CYBMUJFWSA-N 399.834 3.928 0 40 GHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1nccs1 12897107 FRRDPHHZQAPGCI-UHFFFAOYSA-N 378.409 3.934 0 40 GHAB biogenic Cc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(F)c1 12992184 WFMFKYPTGLULSB-UHFFFAOYSA-N 385.464 3.882 0 40 GHAB O=c1cc(-c2ccc3ccccc3c2)nc(N2CCN(c3ccccc3)CC2)[nH]1 13611368 GKOMUIDKBHDMHQ-UHFFFAOYSA-N 382.467 3.917 0 40 GHAB CCn1c(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)nc2ccccc21 13683358 QFQYRLBOSPRFIS-UHFFFAOYSA-N 396.472 3.602 0 40 GHAB Cc1ccc(Cn2cc(NS(=O)(=O)c3cccc4cccnc34)cn2)cc1 14230305 GAXBVEZYZFPHAE-UHFFFAOYSA-N 378.457 3.589 0 40 GHAB Cc1cc2ccccc2n1CC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 14704308 YRHBNEVBLDFCIE-UHFFFAOYSA-N 384.863 3.733 0 40 GHAB CN(CC(=O)N(Cc1ccco1)C1=CCCCC1)Cc1ccc2c(c1)OCCO2 15305085 XTSCDNFELAAALS-UHFFFAOYSA-N 396.487 3.969 0 40 GHAB Cc1cccc(N2N=C(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)CCC2=O)c1 15951064 CDYZBYDNVKWDKK-UHFFFAOYSA-N 389.411 3.531 0 40 GHAB O=C(CCc1nc(-c2ccsc2)no1)N1CCC[C@H]1c1nc2ccccc2[nH]1 16309887 RNHMAUPOWLPOGD-INIZCTEOSA-N 393.472 3.971 0 40 GHAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 18128688 CYMAFCUSELZFTB-UHFFFAOYSA-N 393.531 3.769 0 40 GHAB Cc1csc2c([C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc(C)n12 19240478 NRGMSNYACDUFMT-CQSZACIVSA-N 393.509 3.720 0 40 GHAB C[C@@H]1Cc2cc(-c3csc(NC(=O)c4ccn(C(F)F)n4)n3)ccc2O1 19498251 YTRUPTAMBSPTOO-SECBINFHSA-N 376.388 3.977 0 40 GHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C2CC2)C1 19591015 GMADFJAHDBOGQT-QFIPXVFZSA-N 382.529 3.722 0 40 GHAB CCOC(=O)c1cc(NC(=O)COc2cc(OC)cc(OC)c2)ccc1Cl 20108463 XBDUNKGRHUGQEO-UHFFFAOYSA-N 393.823 3.551 0 40 GHAB CC(C)C[C@H](c1nnnn1C1CCCC1)N1CCN(Cc2ccccc2)CC1 20121722 PNWBLBIFKOTZKK-OAQYLSRUSA-N 382.556 3.693 0 40 GHAB O=C1Nc2c(Cl)cccc2[C@@]12CC(O)=Nc1c2cnn1-c1cccc(F)c1 20746049 VSXIRNQTJIUAAF-LJQANCHMSA-N 382.782 3.895 0 40 GHAB CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)Nc2cccc(C)c2)CC1 22460682 OVDQDHUTZFOXFF-PXNSSMCTSA-N 386.565 3.945 0 40 GHAB COC(=O)c1ccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)cc1 24802525 MRHTUTMVSNUAEQ-UHFFFAOYSA-N 395.434 3.851 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2cccnc2Oc2ccccc2)n1 25406851 LHHVEENJGQHURC-UHFFFAOYSA-N 383.429 3.688 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1OC 25618329 LRFBMIIGLIYQHN-WMZOPIPTSA-N 398.434 3.632 0 40 GHAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1Br 27977877 KNOVXJNAABBTML-CQSZACIVSA-N 378.222 3.974 0 40 GHAB Cc1nn(CC(=O)Nc2nc3c(C)cccc3s2)c(C)c1Br 27981775 RMWSDVHXSJJZFI-UHFFFAOYSA-N 379.283 3.819 0 40 GHAB Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 28234511 SDQLYKZTPMBTFH-SECBINFHSA-N 389.761 3.835 0 40 GHAB Nn1c(SCc2ccccc2Cl)nnc(Nc2ccccc2Cl)c1=O 28536311 KAUUVOJIYPWEPU-UHFFFAOYSA-N 394.287 3.695 0 40 GHAB O=C(/C=C/c1ccccc1)N1CCN(Cc2csc(-c3ccco3)n2)CC1 29854822 XZGMLLNCZGNHND-CMDGGOBGSA-N 379.485 3.761 0 40 GHAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)C3CCCC3)c2)CC1 30754847 OUTDQFAROWKVKT-UHFFFAOYSA-N 398.956 3.775 0 40 GHAB CC(=O)Nc1cccc(Nc2nnc(S[C@@H](C)c3nc(C)no3)s2)c1 32779008 PWCKNXLQMOVYCG-QMMMGPOBSA-N 376.467 3.785 0 40 GHAB C[C@H](CNC(=O)c1ccc(Br)s1)N1CCc2sccc2C1 32817169 LNMWAYXBLUVLSP-SNVBAGLBSA-N 385.352 3.749 0 40 GHAB CC(=O)N1C[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)Oc2ccccc21 32883686 CDDCCRDUEWMRTN-PMACEKPBSA-N 386.879 3.967 0 40 GHAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CNC(=O)Nc1ccccc1 32900244 SNQMQGPFWZPMQJ-UHFFFAOYSA-N 380.370 3.532 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)cc1 35291000 LMMDKXBWWNPDPF-GOSISDBHSA-N 399.422 3.637 0 40 GHAB CCCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1-c1ccccn1 35312266 JTHSBXFUQOORJO-OAHLLOKOSA-N 393.516 3.820 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)C3CCC3)s2)c1 35316121 YSXGYWNWBPRAPS-UHFFFAOYSA-N 376.507 3.624 0 40 GHAB C[C@@H]1Cc2cc(-c3cc(COC(=O)Cn4cnc5ccccc54)no3)ccc2O1 36662552 OOGFDWSDVHPNOQ-CQSZACIVSA-N 389.411 3.758 0 40 GHAB O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCCN(Cc2cccs2)CC1 40089154 QYWCJIIKLDZQSW-UHFFFAOYSA-N 384.480 3.625 0 40 GHAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCCCc3ccccc32)c1 40133986 GRIKWJZNZMMJDL-UHFFFAOYSA-N 386.517 3.699 0 40 GHAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc(OCC(=O)N(C)C)c2)C2CC2)o1 44507004 KHZBGKMPQVKPGR-YWZLYKJASA-N 396.487 3.675 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 44844975 MZLORAJYSASRDS-IBGZPJMESA-N 399.443 3.673 0 40 GHAB CNc1snc(C)c1C(=O)NCc1ccc(Oc2ccc(OC)cc2)nc1 48236649 LNXDIIKRMVBWIS-UHFFFAOYSA-N 384.461 3.619 0 40 GHAB COc1cc(OC)c(OC)cc1CN[C@@H](C(=O)N1CCCCC1)c1ccccc1 48341788 RHSKAJQKOFVQCU-JOCHJYFZSA-N 398.503 3.556 0 40 GHAB CCOC(=O)CSc1nccn2nc(-c3ccc(Br)cc3)cc12 48990964 JZMIESIHPBGGLM-UHFFFAOYSA-N 392.278 3.814 0 40 GHAB Cc1ccc(CCC(=O)N2CCC(c3ncncc3-c3ccncc3)CC2)o1 57729288 ROJKOZZVJAMKGE-UHFFFAOYSA-N 376.460 3.779 0 40 GHAB COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2o1 58179562 GCZNSNTUENZOOX-OAHLLOKOSA-N 398.484 3.758 0 40 GHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 59488517 POAWPGSVGWIXIK-ZDUSSCGKSA-N 392.238 3.772 0 40 GHAB Cn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1C(=O)N1CCCC1 61718993 JYUADQRQIXJFGO-UHFFFAOYSA-N 381.259 3.507 0 40 GHAB CCN(CC)[C@H]1Oc2cc3c(cc2[C@@H](c2cccc(OC)c2O)[C@H]1C)OCO3 61887423 WPDLZCMMCBSTQN-YIKPVDIZSA-N 385.460 3.958 0 40 GHAB O=c1[nH]c(CCn2nccn2)nc2cc(-c3ccc(Cl)cc3Cl)sc12 63925853 XSNUYDBCEMBMLV-UHFFFAOYSA-N 392.271 3.793 0 40 GHAB CC[C@H](C)n1c(SCC(=O)N(C)C2CCCCC2)nc2cc(C)[nH]c2c1=O 67238925 AFDMKLDPJNZLIE-AWEZNQCLSA-N 390.553 3.887 0 40 GHAB O=C(c1cccc2nccnc12)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 72334705 REDCTVYKJPIJAE-QGZVFWFLSA-N 396.454 3.502 0 40 GHAB Cc1cc(Cl)cc(Cl)c1OCC(=O)N1CCN=Cc2cc(N)ccc21 73642516 RXJCCJYYANLYQU-UHFFFAOYSA-N 378.259 3.729 0 40 GHAB COc1ccc(OC)c(CNCc2c(Br)cc(OC)cc2OC)c1 83925576 GNTHBXRAKHQCAN-UHFFFAOYSA-N 396.281 3.773 0 40 GHAB CN(C)Cc1ccc(CNC(=O)C2(c3cccc(Br)c3)CC2)cc1 89319409 XNMVWDSRSRFQCR-UHFFFAOYSA-N 387.321 3.859 0 40 GHAB CCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)Cn1cc(C)cn1 89960805 RRFJLRMEBVSTDO-KRWDZBQOSA-N 398.290 3.651 0 40 GHAB COC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1 91695880 RWIVPTALKPRABH-UHFFFAOYSA-N 384.240 3.972 0 40 GHAB COc1ccc2cc(NC(=O)[C@@H]3CCCN(c4nc(C)cc(C)n4)C3)cnc2c1 95472436 JOEAGEXQJPIIJP-QGZVFWFLSA-N 391.475 3.505 0 40 GHAB O=C1CCC(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)=NN1 141584800 PNCMIBUCKFGYHW-UHFFFAOYSA-N 384.848 3.821 0 40 GHAB CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccc4c(c3)OCO4)n2)cc1 142385244 XQMIZYPHFYJIEC-UHFFFAOYSA-N 393.443 3.838 0 40 GHAB COc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 222565566 KUNBWNWUJMRNPU-SJORKVTESA-N 383.488 3.925 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1F 224112565 HGWNROBTJICSEE-GOSISDBHSA-N 396.506 3.887 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 225008835 OGCRIBNDHQVOQJ-RBUKOAKNSA-N 382.504 3.706 0 40 GHAB COC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccc(OC)cc2)c1C 225266396 HYMNRZPEKFUCKJ-CYBMUJFWSA-N 388.489 3.544 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 225514146 BWIAGSBNUOHIAR-IBGZPJMESA-N 382.504 3.624 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2C)c1 225929821 BKCDMZPQYYMABV-UHFFFAOYSA-N 380.897 3.524 0 40 GHAB CCOc1ccccc1-c1cc(C(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)[nH]n1 257204591 AVJBLCMWNJVLNM-UNMCSNQZSA-N 382.508 3.564 0 40 GHAB COc1ccc([C@H]2C[C@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1CN(C)C 257318669 VOYLCFAHHOTYAH-AJCSZOCDSA-N 388.552 3.918 0 40 GHAB Cc1ccc(C(=O)N2CC[C@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)s1 306140451 UTZXHQIYMOIRLY-NRFANRHFSA-N 397.475 3.874 0 40 GHAB CCn1cc(S(=O)(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)nc1C 502436106 HKSOPCYFPHBXQF-FQEVSTJZSA-N 381.501 3.548 0 40 GHAB Cc1cc(C)n([C@H](CNC(=O)c2cc(-c3ccco3)on2)c2ccsc2)n1 585148125 ZYGMIQSKGIKWJB-MRXNPFEDSA-N 382.445 3.829 0 40 GHAB CCCc1nnsc1C(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 585148277 VTSBMUXGBDPMSV-NSHDSACASA-N 379.532 3.744 0 40 GHAB Cc1ccc(OCc2nc(N3CCc4ccccc4C3)ncc2C(=O)O)c(C)c1 585265579 OJCSVBVSINYPIO-UHFFFAOYSA-N 389.455 3.933 0 40 GHAB CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 585286862 JRLQAAIYCDRRCA-JLMWRMLUSA-N 379.516 3.873 0 40 GHAB Cc1ccc(Nc2nc([C@H]3CCCN3C(=O)/C=C/c3cnn(C)c3)cs2)nc1 585291925 VUMBVMRTXCJRHW-DBWMJRBXSA-N 394.504 3.701 0 40 GHAB Cn1ccc(CN2CCC[C@@H]2c2csc(NC(=O)c3ccc(F)cc3)n2)n1 585294812 KMQDWNKENAFXEW-QGZVFWFLSA-N 385.468 3.605 0 40 GHAB O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)N[C@@]12CCC[C@@H]1C2 666172695 OGRVFVBZHWRNKR-RDTXWAMCSA-N 389.297 3.952 0 40 GHAB CC(C)CCOc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)nn1 667993682 HVWJXZPGZZNMNP-IAGOWNOFSA-N 376.501 3.715 0 40 GHAB CC1CCC(C(=O)N2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)CC1 1565542386 UJXKGXXNRZROEA-JGAJYACASA-N 386.536 3.822 0 40 GHAB FC(F)c1cc(N2CCN(Cc3csc(C4CC4)n3)CC2)nc(C2CC2)n1 1888879040 AARFUZYDOOAYOO-UHFFFAOYSA-N 391.491 3.948 0 40 GHAB Fc1ccccc1-c1nnc([C@@H]2CCCN(c3nccn4nccc34)C2)s1 1888928963 FIAVLJJUXGVESF-CYBMUJFWSA-N 380.452 3.771 0 40 GHAB Cc1ccc([C@@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1C 17198159 QRZGZALCGQMOTM-QFIPXVFZSA-N 393.512 3.880 0 40 GHAB COc1cc2c(OC)cccc2cc1C(=O)N1CCN(c2ccccc2)CC1 1443688 GRJVSLWFMVEFOM-UHFFFAOYSA-N 376.456 3.819 0 40 GHAB O=C(OCCN1C2CCCC1CCC2)C(O)(c1ccccc1)c1ccccc1 1640668 HNVBUDCGAROXSW-UHFFFAOYSA-N 379.500 3.873 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)Nc1cccc(-c2cn3cccnc3n2)c1 4942730 LHQRIONPLPPYNC-UHFFFAOYSA-N 394.456 3.514 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N(Cc1ccccn1)c1ccc(Cl)cc1 59784881 FTMJTJJCJQALIM-UHFFFAOYSA-N 393.830 3.876 0 40 GHAB O=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 7398711 CCUOKOIXDNOCSJ-ZDUSSCGKSA-N 380.341 3.514 0 40 GHAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 7783754 QSQNRVAUQSBPGD-UHFFFAOYSA-N 384.428 3.908 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3nccnc3c2)cc1 32668393 MKVFBWKVJFGMDW-CQSZACIVSA-N 391.427 3.797 0 40 GHAB CSc1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 8336298 GXHSLZSGMZTNMC-UHFFFAOYSA-N 398.937 3.775 0 40 GHAB CSc1nnc(C)n1NC(=O)c1cccc2c(Br)cccc12 8375284 ZOZROGYEMBNBMW-UHFFFAOYSA-N 377.267 3.608 0 40 GHAB O=c1c(Cl)c(N2CC=C(c3ccc(O)cc3)CC2)cnn1-c1ccccc1 8707169 WWERULXHPIYKLV-UHFFFAOYSA-N 379.847 3.885 0 40 GHAB Cn1cc(C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)c(C(C)(C)C)n1 92243836 FHGPODZQFPJVPK-UHFFFAOYSA-N 392.459 3.803 0 40 GHAB C[C@]1(c2ccccc2Cl)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 2625441 ROKFYRVZDHMGHF-GOSISDBHSA-N 379.243 3.839 0 40 GHAB O=S(=O)(Nc1ccccc1N1CCOCC1)c1cccc(Cl)c1Cl 2631483 SJQRXDXFPNPHLR-UHFFFAOYSA-N 387.288 3.631 0 40 GHAB C[C@H](Sc1ccc(C(=O)N2CCCC2)cn1)C(=O)Nc1ccc(N(C)C)cc1 32907196 MJINUXAEVUYLPA-HNNXBMFYSA-N 398.532 3.503 0 40 GHAB CCCn1c(=O)n(CC(=O)N2CCCCC[C@@H]2c2cccn2C)c2ccccc21 32902674 NJKIHBMEWHWHBF-LJQANCHMSA-N 394.519 3.695 0 40 GHAB O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cccc3cccnc23)CC1 32900410 SFMKDRSYAKWVSG-UHFFFAOYSA-N 395.890 3.611 0 40 GHAB CCc1c(C(N)=O)cnn1-c1ccc(NC(=O)c2ccc(Cl)cc2F)cc1 32915503 HFOWQJVLCQQWLO-UHFFFAOYSA-N 386.814 3.578 0 40 GHAB CC(C)(C)c1cc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)on1 32971646 CTSVNUZDZUBKKS-MRXNPFEDSA-N 393.443 3.771 0 40 GHAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3ccco3)o2)c1C 2625631 XJEFQWVJNZFXHZ-LBPRGKRZSA-N 375.450 3.930 0 40 GHAB C[C@@H](NC(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3)c1ccccc1 2653275 ZICAAUYBFUVRIM-OAHLLOKOSA-N 377.440 3.885 0 40 GHAB CN(C)CCN(Cc1ccccc1F)S(=O)(=O)C1=Cc2ccccc2CC1 59746220 DPJOJJXUIQIOHM-UHFFFAOYSA-N 388.508 3.506 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3c(C)noc3C(C)C)n2)o1 22699397 WRIPENLTSMFSAU-UHFFFAOYSA-N 388.449 3.711 0 40 GHAB O=C1c2cc(Br)cc(Br)c2OC[C@H]1N1CCCCC1 55135115 ZOPSGOVLLQPOID-GFCCVEGCSA-N 389.087 3.641 0 40 GHAB COc1cccc(-c2nc(Cn3cnc4cc(F)ccc4c3=O)cs2)c1OC 23107347 FHWYKFZYCBQGFD-UHFFFAOYSA-N 397.431 3.725 0 40 GHAB Brc1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1 951936 RMKXGPDFRHFPOK-UHFFFAOYSA-N 385.265 3.973 0 40 GHAB CCc1ccc(Cl)c(CC)c1NC(=O)CN1CCN(c2nccs2)CC1 54635520 FDWZZOMTYCTJJE-UHFFFAOYSA-N 392.956 3.682 0 40 GHAB Cc1ccc2c(CC(=O)OCCCn3c(=O)[nH]c4ccccc43)coc2c1C 23844505 DXJQZPZLJBGWIP-UHFFFAOYSA-N 378.428 3.869 0 40 GHAB CC(C)c1ccc(-c2csc(NC(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)n2)cc1 101951750 QGYBQIBQXQSKFO-QAETUUGQSA-N 386.473 3.750 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CN2CCOCC2)cc1 24601834 JUHMMGVCHOJBGA-UHFFFAOYSA-N 380.366 3.670 0 40 GHAB COc1ccc(Cl)cc1NC(=S)Nc1ccc(N2CCOCC2)cc1 59114039 XFBUTPSWWYNMLI-UHFFFAOYSA-N 377.897 3.994 0 40 GHAB C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 24929556 QQWCEPMSDVVAES-QHGUSXPKSA-N 390.527 3.951 0 40 GHAB O=C(Nc1ccc(Br)cc1)c1cn2c3c(cccc3c1=O)CCC2 22235246 JLRJRVPSGLSPJK-UHFFFAOYSA-N 383.245 3.963 0 40 GHAB Clc1ccc(-n2ncc3c2ncn2nc([C@H]4CCCO4)nc32)cc1Cl 27795880 HZAXPPCSKQNWSE-CYBMUJFWSA-N 375.219 3.622 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C)nc3c2c(C)nn3C)c1 25457192 ZPRLWAGSEANPOG-GOSISDBHSA-N 394.475 3.580 0 40 GHAB C[C@@H](Sc1ncc(-c2ccccc2)n1C1CC1)c1nc(N)nc(N(C)C)n1 12535467 CFHQKFFQOGAKBZ-GFCCVEGCSA-N 381.509 3.572 0 40 GHAB CN(Cc1ccccc1)C(=O)c1ccccc1NS(=O)(=O)c1cccs1 12521176 VMADAPYISOUMQD-UHFFFAOYSA-N 386.498 3.821 0 40 GHAB CCOc1ncccc1NC(=O)c1cc2c(OCC)cc3c(c2[nH]1)O[C@@H](C)C3 58162683 ZHWYZZQIUTVEBF-LBPRGKRZSA-N 381.432 3.936 0 40 GHAB CN(C)[C@H](CNC(=O)c1cc2c(nc3sccn32)s1)Cc1ccccc1 27587784 FJBVDLPWPYWCIU-AWEZNQCLSA-N 384.530 3.513 0 40 GHAB CSCc1nc2ccccc2n1CC(=O)Nc1cnc2c(cnn2C(C)C)c1 12551707 FYPOFPJEAMGYOX-UHFFFAOYSA-N 394.504 3.864 0 40 GHAB COc1ccc2cc(C(=O)N3CCC(Nc4cccnc4)CC3)c(C)nc2c1 58328865 NBEXCQIZRFVSBN-UHFFFAOYSA-N 376.460 3.664 0 40 GHAB CN1CCN(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CC1 111893024 PINZGPJUMPXBMT-UHFFFAOYSA-N 387.911 3.890 0 40 GHAB C[C@H](CNS(=O)(=O)c1ccc2ccccc2c1)N1CCc2ccccc2C1 28322632 XBAOYBAZPPBOGO-QGZVFWFLSA-N 380.513 3.565 0 40 GHAB O=C(O)c1cnc(S[C@H](C(=O)NC2CC2)c2ccccc2)n1-c1ccccc1 12627650 RGVQMIMRTJRCIW-SFHVURJKSA-N 393.468 3.683 0 40 GHAB CC(C)Cn1c(SCc2ccc(Br)cc2F)nc(O)cc1=O 12682311 ZQHQRQUMXNPYSU-UHFFFAOYSA-N 387.274 3.799 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)Cc1cccc(C(F)(F)F)c1)CC2 7756156 GGKXLVXHJURNMO-UHFFFAOYSA-N 379.378 3.850 0 40 GHAB Cc1nc(Sc2ncnc3sc4c(c23)CC[C@H](C)C4)sc1CC(N)=O 22095098 YVWIAHXWDZHKFT-QMMMGPOBSA-N 390.559 3.760 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@@H](C)Oc1ccccc1Cl 12916941 DVGURXGNZUBFSD-GFCCVEGCSA-N 381.259 3.824 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC1=CCCCC1 12918086 VQTKPQGTTFKRFJ-UHFFFAOYSA-N 390.549 3.790 0 40 GHAB O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 12948194 LGVLTMMYTHIBRN-YWZLYKJASA-N 390.474 3.998 0 40 GHAB CC(=O)N(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(C)cc1 4133805 TXDMNMQSGYEHTA-UHFFFAOYSA-N 377.227 3.908 0 40 GHAB O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 8156927 JJUGJXLORHNQHG-MRXNPFEDSA-N 395.459 3.731 0 40 GHAB CN(Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCCc2ccccc21 8126235 ZPLZHTOGAFNTTN-GOSISDBHSA-N 398.304 3.966 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 20042889 KEHWESBLLHVRDK-AWEZNQCLSA-N 375.490 3.552 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc2ccccc2c1 5170081 DJTGPMLHJGWPEL-HNNXBMFYSA-N 388.423 3.761 0 40 GHAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(OC[C@@H]2CCCO2)cc1 8229634 SJBWOYQIDLUGBS-SFHVURJKSA-N 380.444 3.624 0 40 GHAB C[C@@H](NC(=O)CSc1nnnn1C1CC1)c1ccc(-c2ccccc2)cc1 8231285 HTKCCFZQBUTPOX-CQSZACIVSA-N 379.489 3.645 0 40 GHAB C[C@@H](Sc1nnc(N)s1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 8216748 ITOLIOFXYVRRJH-MRVPVSSYSA-N 387.515 3.939 0 40 GHAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1ccc(C(C)(C)C)cc1)C2=O 6368215 VCPMOYUDSXVNLM-OYHNWAKOSA-N 386.492 3.528 0 40 GHAB COc1ccccc1OCc1nn2c(-c3ccc(N(C)C)cc3)nnc2s1 4414493 ACBZZPVHAISAMP-UHFFFAOYSA-N 381.461 3.506 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1ccccc1 14069291 KNHSNTOHAHXBPT-UHFFFAOYSA-N 376.254 3.908 0 40 GHAB Cn1cnnc1CNC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl 65583879 VZXQUTXTFGIUIQ-UHFFFAOYSA-N 377.231 3.844 0 40 GHAB COc1ccc(-c2nc(CC(=O)NCc3ccc(C)cc3)cs2)cc1OC 6510724 ABIPHKQRRHQURI-UHFFFAOYSA-N 382.485 3.995 0 40 GHAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(Br)o2)c1C 5506932 IJSCDDATIZZLGY-NSHDSACASA-N 398.253 3.708 0 40 GHAB CN1CCN(c2ccccc2NC(=O)COc2cccc3ccccc23)CC1 6624693 WDFKWMHOJWEYTA-UHFFFAOYSA-N 375.472 3.609 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCC(=O)N(C(C)C)C(C)C 6882113 IFYFPBSECZSOEF-UHFFFAOYSA-N 395.862 3.775 0 40 GHAB CCSCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1Cl 4987024 PMOFMHGGMNSQJI-OAHLLOKOSA-N 378.885 3.517 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc2c(c1)CCCC2 15365274 KVDBYLNQQLKMBA-UHFFFAOYSA-N 395.528 3.631 0 40 GHAB COC(=O)Nc1cc(NC(=O)NCCN2c3ccccc3C[C@H]2C)ccc1F 67321652 MASHQKBPEOTYDE-CYBMUJFWSA-N 386.427 3.577 0 40 GHAB Cn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1C(F)(F)F 7180746 UVJZYDPFHMAASW-CYBMUJFWSA-N 384.427 3.680 0 40 GHAB COc1ccc([C@H](CNC(=O)[C@H]2COc3ccccc3C2)N2CCCCC2)cc1 22685799 YYYNAQGYBLGGJT-IRLDBZIGSA-N 394.515 3.590 0 40 GHAB Cc1nc(CSc2nc3cc(Cl)ccc3c(=O)n2CCC(=O)O)cs1 9254630 CMMWAHDJYISILQ-UHFFFAOYSA-N 395.893 3.582 0 40 GHAB CCOC(=O)N1CCN(c2ncnc3scc(-c4ccc(C)cc4)c23)CC1 9377732 BNOBKXIHTJGFPS-UHFFFAOYSA-N 382.489 3.945 0 40 GHAB Cc1ccc(C(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)c(-n2cnnn2)c1C 96232305 VOJCPFYWRBXXBW-IBGZPJMESA-N 386.459 3.568 0 40 GHAB COCC(C)(C)N(Cc1ccccc1)C(=O)c1cccc(N2CCOC2=O)c1 97165024 GIKARNQXIBJSEM-UHFFFAOYSA-N 382.460 3.711 0 40 GHAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 95397018 ALFXZQSYKUCVLP-INIZCTEOSA-N 397.454 3.554 0 40 GHAB O=C(NCCOc1cccc(Cl)c1Cl)N1CCc2ccc(O)cc2C1 95369469 WPZKOCLBAFDMTB-UHFFFAOYSA-N 381.259 3.846 0 40 GHAB COC(=O)[C@@H]1c2ccccc2CCN1C(=O)CSCc1ccc(Cl)cc1 95404786 QYZSRCIHKWHMOH-IBGZPJMESA-N 389.904 3.872 0 40 GHAB COc1cccc(N2CCN(C(=O)c3cc(C)n(-c4ccccc4)n3)C[C@H]2C)c1 95431502 AYCXTTIMJSSIRV-GOSISDBHSA-N 390.487 3.540 0 40 GHAB COc1ccc(CN(C(=O)[C@@H]2CCn3c(cnc3C(F)(F)F)C2)C2CC2)cc1 95993051 SBWDMYWONNSWMT-CQSZACIVSA-N 393.409 3.664 0 40 GHAB COc1ccccc1C[C@@H](C)CC(=O)NCCc1nnc(-c2ccccc2)o1 78998345 ZKDPPPIZXZQYAI-MRXNPFEDSA-N 379.460 3.673 0 40 GHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NCCCOC 20481894 BACCIDLAXDCDQW-HXUWFJFHSA-N 384.476 3.557 0 40 GHAB O=C(CSc1n[nH]c(COc2ccccc2F)n1)N1CCCc2ccccc21 408547407 WJNAJBAZEVASCL-UHFFFAOYSA-N 398.463 3.594 0 40 GHAB CCOC(=O)C1=C(C)N=C(SCC(C)C)N[C@H]1c1ccc(OC)cc1OC 33643951 VWWCALFGUAXOLC-SFHVURJKSA-N 392.521 3.930 0 40 GHAB O=C(O)c1cc(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cs1 514876461 KGVIODIWWIAKIK-AWEZNQCLSA-N 387.379 3.918 0 40 GHAB NC(=O)NCCCCCC(=O)N(CCc1ccccc1)CCc1ccccc1 32904349 PIZLGZXTJPHVMR-UHFFFAOYSA-N 381.520 3.529 0 40 GHAB O=C(Nc1nccs1)c1ccc2c(c1)C(=O)N(Cc1ccccc1Cl)C2=O 31815718 QQHPETSOUSMJBT-UHFFFAOYSA-N 397.843 3.845 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(-c2ccccc2)on1 31348614 YHXWEKNCKBLGSX-UHFFFAOYSA-N 385.370 3.721 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 77197774 KVQRQUIVHWNLQO-VIFPVBQESA-N 389.761 3.770 0 40 GHAB CC(C)n1nc(O)c2c(-c3ccc(F)c(F)c3F)c3sc(=O)[nH]c3nc21 72405311 JGMBKWQEDQGSLB-UHFFFAOYSA-N 380.351 3.705 0 40 GHAB Cc1cccc(-c2nc(CC(=O)NC[C@H]3COc4ccccc4O3)cs2)c1 31242918 ZULBDBPEPMFCEG-KRWDZBQOSA-N 380.469 3.617 0 40 GHAB COc1cccc(CN(C(=O)Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)c1 223059591 KJFLNPHHPAJOHK-GOSISDBHSA-N 396.531 3.878 0 40 GHAB Cc1cccc(CN(C(=O)COc2ccccc2C)[C@H](C)C(=O)NC(C)C)c1 225496531 PBJIVWSEJDSBMD-LJQANCHMSA-N 382.504 3.624 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 223682068 ISNCWFVTZGZPEG-HNNXBMFYSA-N 390.886 3.883 0 40 GHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 225496728 HXRXIGBCVBBKTM-HSZRJFAPSA-N 386.495 3.615 0 40 GHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 225496244 YCCAXZWIAXBCCZ-VQTJNVASSA-N 392.484 3.594 0 40 GHAB COc1ccc(-c2nnc(NS(=O)(=O)Cc3ccccc3Cl)s2)cc1 223077104 AYKSAFYXIYPSCN-UHFFFAOYSA-N 395.893 3.809 0 40 GHAB Cc1ccccc1CN(C(=O)COc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 222675317 LESTWWPQVLZUHU-GOSISDBHSA-N 382.504 3.706 0 40 GHAB CN([C@@H](C(=O)Nc1ccccc1-c1ccccc1)c1ccccc1)S(C)(=O)=O 223865982 QYZJBKSCYHASDY-OAQYLSRUSA-N 394.496 3.925 0 40 GHAB CC(=O)N(c1ccc(NC(=O)c2cccc(-c3nnc(C)o3)c2)cc1)C1CC1 579762034 KCOICKAELPZHNH-UHFFFAOYSA-N 376.416 3.813 0 40 GHAB Cc1cc(C)nc(Nc2cncc(C3CCN(C(=O)c4ccccc4)CC3)n2)n1 257333476 YBSIFLPKVGHSDK-UHFFFAOYSA-N 388.475 3.647 0 40 GHAB CCCOc1ccccc1-c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)[nH]n1 257299792 RRPSYRWACQDQDT-GMAHTHKFSA-N 396.535 3.954 0 40 GHAB CCc1nn(C)cc1CNC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 585082790 IJDWCWCDDAZUCC-LJQANCHMSA-N 376.451 3.754 0 40 GHAB NCCc1ccc(C(=O)N2[C@@H](Cc3ccccc3)C[C@H]3NCCCCC[C@@H]32)cc1 257330182 XNFUMWUDPYFIOK-VXNXHJTFSA-N 391.559 3.546 0 40 GHAB CNC(=O)c1sc2nc([C@H]3CCCN3Cc3ccccc3F)ccc2c1N 257272481 NCOIKCLSPAQBKB-MRXNPFEDSA-N 384.480 3.714 0 40 GHAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 260842852 XYRZQTRYZQZELE-LPHOPBHVSA-N 398.478 3.686 0 40 GHAB O=C(NCCc1ccc(C(F)(F)F)cc1)N[C@H](CCO)c1ccccc1F 645095909 LKEZYESKCREBNK-QGZVFWFLSA-N 384.373 3.810 0 40 GHAB O=C1CCCC[C@]2(CN(C(=O)CCc3ccccc3)C[C@H]2c2ccc(F)cc2)N1 585261694 LYYHHAMHWSKZBP-XUZZJYLKSA-N 394.490 3.813 0 40 GHAB C[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 64956806 XWUVBDRTZDVLKS-YOEHRIQHSA-N 398.450 3.819 0 40 GHAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cccc2ccccc12 5880299 NQWPSBHGTKANNO-UHFFFAOYSA-N 380.425 3.673 0 40 GHAB CC[C@@H](C(=O)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1)c1ccccc1 12129270 DIURKNZYYBYYDY-LJQANCHMSA-N 391.471 3.861 0 40 GHAB C[C@H](C(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1)c1ccccc1 12129544 CTMVEMXFQHQTIV-WMZOPIPTSA-N 393.512 3.939 0 40 GHAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12762532 JXHACHHWWUVFLH-AZUAARDMSA-N 379.504 3.557 0 40 GHAB COc1cc(Br)c(CCNC(=O)Cc2ccccc2C)cc1OC 12777056 FGLWYRAEUXMXRG-UHFFFAOYSA-N 392.293 3.676 0 40 GHAB COC(=O)c1ccc(CS[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 13017974 IPRZTKKQUFWTQV-ZDUSSCGKSA-N 387.457 3.505 0 40 GHAB CC(C)C[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1 13504566 PICNEUQWQAQUFN-JOCHJYFZSA-N 390.535 3.631 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2C)c1 13667809 OHRHIOGAZHNSJP-MRXNPFEDSA-N 386.517 3.976 0 40 GHAB Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 13684393 PWBGNCXRZLTSQL-UHFFFAOYSA-N 378.428 3.844 0 40 GHAB CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 15652771 HYIUPUFEVNJBGP-INIZCTEOSA-N 388.533 3.545 0 40 GHAB COc1ccccc1/C=C/CN1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 19590309 DOSUACGESOKBGZ-OEAKIKGJSA-N 378.520 3.714 0 40 GHAB C[C@@H]1Cc2cc(CN(C)C(=O)C3(c4ccccc4F)CCOCC3)ccc2O1 19662276 HNXCGCUQRHVANQ-MRXNPFEDSA-N 383.463 3.856 0 40 GHAB COc1ccc(-c2ccc(C(=O)O)o2)c(NC(=S)NC(=O)C(C)(C)C)c1 226350461 COLGKDNBFNWIPT-UHFFFAOYSA-N 376.434 3.513 0 40 GHAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)CCc2ccccc2)CC1 12254373 WJKLPMROSRNWDQ-UHFFFAOYSA-N 387.483 3.673 0 40 GHAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 245026689 NGVIPEXSSHYSRO-DAXOMENPSA-N 391.817 3.744 0 40 GHAB COc1cc2c(cc1OC)[C@@H](C)N([C@H]1CCCN(C(=O)C3CCCC3)C1)CC2 253588972 CKCJXFOLLZJXMM-APWZRJJASA-N 386.536 3.804 0 40 GHAB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc2c(c1)OCCO2 5944285 IVGGEUJYSCVSQH-SNVBAGLBSA-N 389.458 3.689 0 40 GHAB CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCCCc1c[nH]c2ccc(F)cc12 1229107626 LGKCUUNOIWEJKK-UZLBHIALSA-N 375.488 3.990 0 40 GHAB O=C(c1ccccc1Cl)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909382 ZXYFOAUKONTZQK-HXUWFJFHSA-N 377.843 3.915 0 40 GHAB Cc1ccc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)cc1 4377174 GHXJKDRFGPZLDR-UHFFFAOYSA-N 382.441 3.867 0 40 GHAB COc1ccc(CCNC(=O)c2csc(NC(=O)Nc3ccccc3)n2)cc1 9317200 ZFFYYYMRWOQJAV-UHFFFAOYSA-N 396.472 3.768 0 40 GHAB Cc1cccc(NC(=O)CCCSc2ccc(NC(=O)c3ccco3)nn2)n1 11794324 NFFKTMQFNGMHCX-UHFFFAOYSA-N 397.460 3.536 0 40 GHAB COc1ccccc1NC(=O)N1CCC(CNC(=O)c2cc(C)cs2)CC1 44004688 KNEQGLOCHCOXEH-UHFFFAOYSA-N 387.505 3.739 0 40 GHAB CCCOc1ccc(CCC(=O)N2CC(N3CCc4sccc4C3)C2)cc1 390827523 HFNGXOUNGBTJIB-UHFFFAOYSA-N 384.545 3.739 0 40 GHAB O=C(Nc1nc(-c2ccco2)cs1)[C@H]1CCCN(C(=O)c2cccs2)C1 40111410 KTYTWARAIUJHID-LBPRGKRZSA-N 387.486 3.956 0 40 GHAB CC(C)[C@@H](C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)n1cncn1 40151307 LCQHWZKXNIZZTG-XXBRFSHSSA-N 386.499 3.889 0 40 GHAB CC(C)CCN(CCC(C)C)C(=O)c1cccc(S(=O)(=O)NC(C)C)c1 30469436 IIKRTQUTIXEVQZ-UHFFFAOYSA-N 382.570 3.908 0 40 GHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCCSc1ccccc1 31355051 FNTQTHFRCIKGJY-UHFFFAOYSA-N 377.893 3.952 0 40 GHAB COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3nc(C)cs3)n12 877299 YBAMKQFFVRKROL-UHFFFAOYSA-N 399.501 3.695 0 40 GHAB CCc1ccc2c(c1)c1nnc(SCC(=O)N3CCCC[C@H]3C)nc1n2C 1366166 STIJNLBRSMASIB-CYBMUJFWSA-N 383.521 3.572 0 40 GHAB C[C@H](Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1)C(=O)c1ccccc1 4545019 ITUYFYWRVXXPMH-XUNHBOFMSA-N 389.451 3.872 0 40 GHAB CC(C)C[C@@H](NC(=O)c1ccc(Br)o1)c1nnc2ccccn12 20717556 FKAYQNDNICKYOQ-LLVKDONJSA-N 377.242 3.602 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)N1CCCC1 4855270 AMRAJGJQJLFORM-UHFFFAOYSA-N 399.907 3.697 0 40 GHAB CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 101417677 HYQNZXRKFAKADV-INIZCTEOSA-N 393.668 3.827 0 40 GHAB O=C1C[C@@H](N2CCC[C@H](c3nc4ccccc4s3)C2)C(=O)N1c1ccccc1 101490593 XNHGRUFQMFHVIX-MAUKXSAKSA-N 391.496 3.808 0 40 GHAB S=C(NCC1CCN(C(=S)NC2CCCCC2)CC1)NC1CCCCC1 6261880 UAYJQYGVVLJIFT-UHFFFAOYSA-N 396.670 3.702 0 40 GHAB CCCCCNC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 6596810 LRTLLTFFJYNLKF-UHFFFAOYSA-N 380.554 3.537 0 40 GHAB COc1cccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)on2)c1 6872238 ITJKZSZKUJQSMJ-UHFFFAOYSA-N 384.388 3.628 0 40 GHAB Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 6959479 SOHYOTCKHJHYNR-UHFFFAOYSA-N 396.491 3.894 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OC(C)C 6960265 NZDNAHVZVXWTOW-LDADJPATSA-N 380.444 3.965 0 40 GHAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 7651409 BWZXQVVYOOLBOQ-UHFFFAOYSA-N 398.887 3.689 0 40 GHAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2Cl)c1=O 51357653 PKODDGYJJIMJGD-UHFFFAOYSA-N 399.878 3.646 0 40 GHAB O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1Cl 2627542 SWKDKXJJSHCXHC-UHFFFAOYSA-N 387.288 3.631 0 40 GHAB Cc1cc(CNC(=O)CSc2nncn2-c2cccc(Cl)c2)ccc1F 32904925 GBLALELKIYBTNH-UHFFFAOYSA-N 390.871 3.777 0 40 GHAB COc1ccccc1CCCNC(=O)C1CCN(Cc2cccc(C)c2)CC1 9062576 SQTIHDJFQLUPRQ-UHFFFAOYSA-N 380.532 3.965 0 40 GHAB Cc1ccc([C@H](NC(=O)c2ccc(N3CCOCC3)nc2)c2cccs2)cc1 22541846 WKAHWSLLEMUYMZ-NRFANRHFSA-N 393.512 3.808 0 40 GHAB CCOC(=O)Nc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 55600452 WWJYDTHSJAGOCT-UHFFFAOYSA-N 399.266 3.818 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)CC2=O)cc1 815534 PBJCVNMFCDJHEK-ZDUSSCGKSA-N 397.500 3.598 0 40 GHAB COc1cc(OC)c(C2=CCN(c3nccc(C(F)(F)F)n3)CC2)c(OC)c1 24055536 LWXNPNVFVQKLFE-UHFFFAOYSA-N 395.381 3.815 0 40 GHAB CC1=C(C(=O)OC(C)(C)C)C(c2cccnc2)C(C(=O)OC(C)(C)C)=C(C)N1 24334636 GEUNEJZDBNZVHD-UHFFFAOYSA-N 386.492 4.000 0 40 GHAB COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(Cl)cc1 12462986 STEKLSQQPJROKU-UHFFFAOYSA-N 384.863 3.779 0 40 GHAB CCOc1cc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ccccn2)ccc1OC 100148904 WDQXCDSCTSADTJ-OALUTQOASA-N 382.504 3.609 0 40 GHAB Cc1sc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)nc1-c1ccccc1 24834730 YRMUHJJGTQOMRN-UHFFFAOYSA-N 393.390 3.938 0 40 GHAB O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(Cl)(Cl)Cl 1388014 GBYPMNNMZLHKNZ-UHFFFAOYSA-N 389.453 3.988 0 40 GHAB O=C(Cc1ccc(Cl)cc1)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 61720477 QVYYLKCGGCDRKS-UHFFFAOYSA-N 395.890 3.785 0 40 GHAB O=c1[nH]c(CNc2ccc(Br)cc2)nn1Cc1ccccc1Cl 61718000 LEVKPEJAFCETQO-UHFFFAOYSA-N 393.672 3.648 0 40 GHAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H]1c1cccc(Br)c1 55785299 SHHBQVNGRDEWJQ-MRXNPFEDSA-N 385.265 3.558 0 40 GHAB CC(C)Cn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc21 12532054 NZFOCTJFMZYFFL-UHFFFAOYSA-N 395.488 3.593 0 40 GHAB CCOc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1 51315423 BILRAZCUAKWLHW-UHFFFAOYSA-N 397.431 3.754 0 40 GHAB Cn1c([C@@H]2CCCCN2C(=O)c2ccc([S@@](C)=O)cc2)nc2ccccc21 56132444 PCEFBOKTIBBPIX-PPHZAIPVSA-N 381.501 3.678 0 40 GHAB Cc1ccc(/C=C/S(=O)(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 57010351 QQJISRWLBZGZIT-XNTDXEJSSA-N 389.492 3.773 0 40 GHAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc(Br)cc1 10111003 VVCFUOPEOVWAFW-UHFFFAOYSA-N 398.322 3.759 0 40 GHAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 12536040 IORNBWDVDMFRHJ-UHFFFAOYSA-N 393.770 3.946 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N(C)Cc1cnn(-c2ccccc2)c1 7843841 QWFVHWOVSQKRBN-UHFFFAOYSA-N 393.535 3.933 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 20456248 GNHAUPKDBIHUSN-KRWDZBQOSA-N 386.517 3.579 0 40 GHAB CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1OCC 2204476 XPBJGEREBJIIRG-UHFFFAOYSA-N 385.460 3.700 0 40 GHAB biogenic C[C@H]1CC(=O)c2cnc(NC(=O)CSc3nc4ccccc4s3)nc2C1 12653292 NBCARYCLVJSANL-SNVBAGLBSA-N 384.486 3.582 0 40 GHAB CC[C@H](C)COC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc3ccccc3nc12 2387559 XQFSYWUFOJQESS-UONOGXRCSA-N 382.464 3.549 0 40 GHAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 12752518 BBLNWUPNPIBALF-NEPJUHHUSA-N 389.429 3.790 0 40 GHAB CN(CC(=O)N1CCC(c2ccccc2)=N1)Cc1ccccc1OC(F)(F)F 12737844 XSCRDKPUSHTJLU-UHFFFAOYSA-N 391.393 3.654 0 40 GHAB COc1cc(C(=O)NC2(C(=O)O)CCCCC2)cc(Cl)c1OCC(C)C 12971448 KROKOKKOHZIJDT-UHFFFAOYSA-N 383.872 3.901 0 40 GHAB O=C(Nc1ncc(Cc2ccccc2Br)s1)c1cnccn1 13003432 BZGPMLQOMDTSEH-UHFFFAOYSA-N 375.251 3.539 0 40 GHAB CCOP(=O)(OCC)c1nc(-c2ccco2)oc1NCc1cccnc1 16749875 OHUNUNFFENARII-UHFFFAOYSA-N 377.337 3.833 0 40 GHAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OC(F)F 69392896 WQYRMXNJVGJWAP-WFASDCNBSA-N 386.439 3.844 0 40 GHAB Cc1ccc(-c2nnn(CC(=O)c3ccc(NC(=O)CC(C)C)cc3)n2)cc1 5036307 QLTUVBBHLAZTOF-UHFFFAOYSA-N 377.448 3.516 0 40 GHAB COC(=O)c1c(NC(=O)CCC(=O)O)sc(C)c1-c1ccc(C)cc1C 6189797 QPESFXMKMWMOFE-UHFFFAOYSA-N 375.446 3.930 0 40 GHAB CCCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1-c1ccncc1 6112843 KXDPZEUPIHTDFQ-UHFFFAOYSA-N 398.488 3.742 0 40 GHAB Nc1c(Cl)c(Cl)nc(C(=O)OCCOc2ccc(F)cc2)c1Cl 22056936 JIRWMYBLFPVZGS-UHFFFAOYSA-N 379.602 3.999 0 40 GHAB COc1cc(NC(=O)c2ccc(Br)cc2F)cc(OC)c1OC 14167982 BZAYWUBCRNLWRB-UHFFFAOYSA-N 384.201 3.866 0 40 GHAB CO[C@](c1ccccc1)(c1ccc(F)cc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O 4672036 GUNODGGFSQOICX-DENIHFKCSA-N 396.418 3.655 0 40 GHAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1CCOc1ccc(Cl)cc1 5679333 PYLHGOMZCLNTEO-GOSISDBHSA-N 376.865 3.564 0 40 GHAB COc1cc(NS(=O)(=O)c2ccc(Br)c(C)c2)cc(OC)c1 5602606 WTWLFTXFOHWFJP-UHFFFAOYSA-N 386.267 3.576 0 40 GHAB CSc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCO)cc1 6743387 SGGIXDRZMZZCET-LJQANCHMSA-N 395.480 3.669 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)NCc1cccc(C(F)(F)F)c1 14790015 WXPGJNWPLDGABG-UHFFFAOYSA-N 381.350 3.612 0 40 GHAB Cc1ccnc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)c1 21893323 FTMXSUDHHKDKAI-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc(OC)c1OC 8706417 HELDUCLHTWGPBG-CQSZACIVSA-N 395.459 3.609 0 40 GHAB O=C(CNc1ccccc1I)Nc1ccc(F)c(F)c1 15289669 VOBYLWSXGFTGQR-UHFFFAOYSA-N 388.155 3.620 0 40 GHAB CC(C)c1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cnn(C(C)C)c2n1 15515214 ZZOXCBIEHPMGCS-UHFFFAOYSA-N 378.436 3.558 0 40 GHAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccco1 7328983 VWNSCRHDJPNHFP-CQSZACIVSA-N 382.489 3.766 0 40 GHAB COc1ccc(OCCCn2nnc(-c3ccc(Br)cc3)n2)cc1 7499014 HUNDTYOVZOVULC-UHFFFAOYSA-N 389.253 3.580 0 40 GHAB C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc2NC1=O 15859046 QAFKXIKHWRGNGT-LLVKDONJSA-N 379.243 3.994 0 40 GHAB CC(=O)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 96817212 ODOSUBNQMOPFCI-XSFVSMFZSA-N 399.410 3.773 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)c1cc(-c2ccc(Br)s2)[nH]n1 95474379 FSGQWSXFDDVDCW-UHFFFAOYSA-N 380.271 3.503 0 40 GHAB Cc1ccc(C)c(N(CC(=O)O)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 113881977 IOKHHGCHCYEVPM-UHFFFAOYSA-N 388.272 3.890 0 40 GHAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1 408597324 UYXUMKSJNITYQQ-OAQYLSRUSA-N 394.496 3.523 0 40 GHAB Cc1cc(C)c(OCC(=O)N2N=C3[C@H](CCC[C@H]3C)[C@]2(O)C(F)(F)F)c(C)c1 409179774 NQMSSJSJKABNBS-YFROIQMUSA-N 398.425 3.876 0 40 GHAB O=C(Cc1ccccn1)N1CC[C@@]2(CCCc3c2n[nH]c3-c2ccsc2)C1 306141552 WAGDLWSMSBRMJV-NRFANRHFSA-N 378.501 3.582 0 40 GHAB CCOc1ccc(N[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 36635838 BKBTZBOLAWHPDX-MRXNPFEDSA-N 389.249 3.592 0 40 GHAB Cc1ccn(-c2ccc(NC(=O)N[C@@H](C)c3ccc4c(c3)CC(=O)N4)cc2)n1 500728011 IANNXPKOZHJHGM-AWEZNQCLSA-N 375.432 3.558 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38858732 GKRFVQVFQQJLSF-QGZVFWFLSA-N 386.879 3.597 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)Oc1ccccc1 56945384 ISOWKHORMBGNLE-NRFANRHFSA-N 391.471 3.932 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 224121494 JIIOJLCFAHXFRM-NRFANRHFSA-N 382.504 3.789 0 40 GHAB Cc1ccccc1-c1noc(CNC(=O)COc2cccc3c2CCCC3)n1 225214488 RZAGIEQSNADRDK-UHFFFAOYSA-N 377.444 3.619 0 40 GHAB Cc1ccc2nc(CNc3ccc(Cl)cc3C(=O)N3CCCC3)cc(=O)n2c1 42740566 RCVWKDWFRISNMF-UHFFFAOYSA-N 396.878 3.504 0 40 GHAB CCOC(=O)[C@@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCCCC2)C1 45888148 ZLJYPBUTEODSKX-CYBMUJFWSA-N 384.398 3.612 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C 225002824 IAEMHYPEXRCQGG-IBGZPJMESA-N 396.531 3.798 0 40 GHAB O=C(Cc1ccccc1Cl)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 44001992 LXOPYCUUHHYHHG-BQYQJAHWSA-N 386.879 3.544 0 40 GHAB Cc1cc(Sc2ncccn2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225963195 CTBJSGAELBLZCT-CYBMUJFWSA-N 382.518 3.774 0 40 GHAB CCO[C@]1(C(=O)Nc2ccc(OCC(=O)N3CCCC3)cc2)CCC[C@H](C)C1 225713953 RZOFRZNWRZJGEK-HTAPYJJXSA-N 388.508 3.612 0 40 GHAB CC(C)c1ccc(N2CCN(CC(=O)Nc3cccc4nsnc34)C2=O)cc1 49403411 UNZNWZSTMJJPOT-UHFFFAOYSA-N 395.488 3.695 0 40 GHAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(CCOC)c1C 222961376 PENQKWHOVZRALS-VQTJNVASSA-N 386.565 3.919 0 40 GHAB CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224157754 NWDAFZVVEHBDKF-CQSZACIVSA-N 378.469 3.569 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 224691865 LHHFAFVHVWKJEL-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB CN(C)c1cccc(C(=O)NC2CCN(c3cc(-c4cccs4)n[nH]3)CC2)c1 98212818 XTSGUIMAETZICO-UHFFFAOYSA-N 395.532 3.603 0 40 GHAB CC(C)NC(=O)N1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1 96146902 SMIYTKQWXUZRBH-UHFFFAOYSA-N 392.912 3.567 0 40 GHAB CC[C@@H](C)NC(=O)N1CCC2(CC1)C(=O)N(c1cccnc1)c1ccccc12 96078911 RWRDHACSGPWYCC-MRXNPFEDSA-N 378.476 3.602 0 40 GHAB COCCN(C)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1-c1ncccn1 96264209 MUVNKRURWTUWED-UHFFFAOYSA-N 391.475 3.675 0 40 GHAB COCCn1c(C(=O)NC[C@H]2CCCO2)cc2c1c1ccccc1n2C(C)C 96264188 RIJUZBKCROWKJA-MRXNPFEDSA-N 383.492 3.732 0 40 GHAB O=C(c1cncnc1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257327945 XDLYQDIGQQFXKY-OAHLLOKOSA-N 382.851 3.729 0 40 GHAB O=C(COc1cccnc1)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257233474 GPKULXLETUUTEZ-IBGZPJMESA-N 381.407 3.542 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)cc1C(F)(F)F 585081622 APWCKBFIJRGPQS-OAHLLOKOSA-N 387.379 3.631 0 40 GHAB CON(C[C@H]1CCCc2ccccc21)C(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 1156009585 VCERTFZZEXBPKG-UKRRQHHQSA-N 381.398 3.973 0 40 GHAB NC(=O)c1cc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)ccc1F 673638127 ZQKWXFSBBPAQKA-UHFFFAOYSA-N 391.446 3.566 0 40 GHAB O=[S@](O)c1c(Br)cc(Br)cc1Br 675061973 WKTLNSYBCZDCJR-UHFFFAOYSA-N 378.867 3.555 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCC1(Sc2ccccc2)CCOCC1 96331089 CEPIYOIEWZRQEU-VQHVLOKHSA-N 397.496 3.886 0 40 GHAB O=C(Cc1ccccc1Cl)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111292 MYPCTBGXMNJYCS-FQEVSTJZSA-N 395.890 3.558 0 40 GHAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)N[C@H]2CCc3ccc(F)c(F)c32)cn1 685939003 RVQAYWAPYQFBPS-FCEWJHQRSA-N 390.434 3.559 0 40 GHAB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)CCc2c(Cl)cccc2Cl)C1 96120084 SFZZGEVDFVEEBX-LBPRGKRZSA-N 392.348 3.740 0 40 GHAB Cc1ccc(C(=O)N2CCC(c3nc(C)c(-c4ccnc(C)n4)s3)CC2)cn1 12186201 VXXZSSMHJYKDDN-UHFFFAOYSA-N 393.516 3.940 0 40 GHAB CCOc1ccc2[nH]c3c(c2c1)CN(C(=O)CCn1nc(C)c(C)c1C)CC3 12275980 RLYQFIVYTDLBTG-UHFFFAOYSA-N 380.492 3.663 0 40 GHAB Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1C 12293537 VDORHKNLOZMKFB-SFTDATJTSA-N 385.479 3.827 0 40 GHAB CCN1C(=O)/C(=C/c2ccc(C)cc2)N=C1SCC(=O)NC1CCCCC1 12411864 XHLPJLRMTWIOIY-AQTBWJFISA-N 385.533 3.736 0 40 GHAB COc1ccc(-c2n[nH]c3c2[C@H](C(=O)c2ccc(C)s2)CC(=O)N3)cc1OC 13997002 WZKHVIGXWGIRQM-GFCCVEGCSA-N 397.456 3.773 0 40 GHAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 14404497 YPDAWCOBHPAXAY-UHFFFAOYSA-N 375.643 3.588 0 40 GHAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cc1ccc(Cl)cc1 15321431 VSAIMBQFAHIRPS-UHFFFAOYSA-N 391.880 3.669 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 16153546 SYHCJMIXBGBLKN-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB COc1cc2c(cc1CN1C[C@@H]3[C@@H](CC[C@@]3(O)c3ccc(C)cn3)C1)CCC2 19215982 HTDDOKOZWNIBQG-LEEZEASISA-N 378.516 3.617 0 40 GHAB COc1cc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc(OC)c1 19453611 CZICQFLYTPRKBW-UHFFFAOYSA-N 396.535 3.776 0 40 GHAB CCOc1ccc(CN2CCc3nc([C@H]4CCCCN4C)ncc3C2)cc1OC 19533890 RDRCPEMBNXWTQP-HXUWFJFHSA-N 396.535 3.599 0 40 GHAB Cc1ccc2c(c1)OCCN2C(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1 154642833 DDIRVSQPECSCHM-UHFFFAOYSA-N 380.423 3.877 0 40 GHAB COc1ccc([C@@H]2CN(Cc3ccccc3F)C[C@]23CCCCC(=O)N3)cc1 19557244 AEOJACLSMJKVPU-NZQKXSOJSA-N 382.479 3.863 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4cccnc4)C3)cc2N1 19574620 WKMNQNMGRFMMGM-IVMMDQJWSA-N 393.413 3.605 0 40 GHAB O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN1C(=O)c1ccccc1 32755500 QCWVSHPRFDNTLE-MRXNPFEDSA-N 391.240 3.832 0 40 GHAB FC(F)(F)c1ccnc(N2CC[C@H](Oc3ccncc3Br)C2)c1 1776008655 LJYKWHSXLIUFHQ-NSHDSACASA-N 388.187 3.916 0 40 GHAB CCOc1ccc(-n2ccnc(SCC(=O)Nc3cccc(C)c3)c2=O)cc1 4853248 NCEKWVSGUNDHKU-UHFFFAOYSA-N 395.484 3.670 0 40 GHAB COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2cc(C)ccc2C)ccc1=O 5410230 ZNTOWXJNIWDVFO-UHFFFAOYSA-N 397.862 3.828 0 40 GHAB COc1ccccc1CNC(=O)c1csc(NC(=O)Nc2ccccc2)n1 9317166 VNEGZSUNKGXAMZ-UHFFFAOYSA-N 382.445 3.726 0 40 GHAB COc1cccc([C@H]2CC(=O)Nc3nc(N)sc32)c1OCc1ccc(F)cc1 12371671 ZUFYVGRWHCABPH-CQSZACIVSA-N 399.447 3.926 0 40 GHAB C[C@@H]1CN(C(=O)CC2=CCCCC2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 2055729765 HVEBYVALOVCORP-MONBJTKQSA-N 397.519 3.697 0 40 GHAB CC(C)(C)c1ccc(OCC2CCN(C(=O)c3c[nH]c4ncccc34)CC2)nn1 1775965902 JLVPVEYKQOETPE-UHFFFAOYSA-N 393.491 3.582 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H](c1cccs1)n1cccn1 575614517 VIPBCFFMOSBWMS-SFHVURJKSA-N 395.463 3.504 0 40 GHAB O=C([C@H]1CCCN(c2ccc(C(F)(F)F)nc2)C1)N1CCC(F)(F)CC1 2298042980 JLPNUNRTWNWTTI-LBPRGKRZSA-N 377.357 3.575 0 40 GHAB COc1cccc(-c2nc(C(=O)N3CCCCCC3)nn2-c2ccccc2)c1 13568902 IBHLKBHZRYGVTC-UHFFFAOYSA-N 376.460 3.959 0 40 GHAB Cc1nc2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2nc1C 40012781 JZSVJZZYOSZTOJ-FQEVSTJZSA-N 378.476 3.797 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2cccnc2)nc2ccccc12 8338296 CYUYYJASBICODG-UHFFFAOYSA-N 383.407 3.956 0 40 GHAB COc1ccccc1-n1nnnc1SCC(=O)Nc1cccc2ccccc12 907196 IKWOJXIQUBVRSQ-UHFFFAOYSA-N 391.456 3.555 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3)cc2c1 1359311 QLHXIUVMJCRLBQ-NRFANRHFSA-N 390.483 3.912 0 40 GHAB Cc1sc2nc(SCC(=O)N3CCCc4ccccc43)[nH]c(=O)c2c1C 1368218 XIDQTKQWPVPVDV-UHFFFAOYSA-N 385.514 3.673 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)cc1 3472435 VTDYGNRCUZVVMQ-UHFFFAOYSA-N 387.896 3.606 0 40 GHAB O=C(N[C@H]1CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCCCC2)c1 3608518 FILOYPQPSRQLRL-NRFANRHFSA-N 398.528 3.669 0 40 GHAB Cc1cc2cc(CN(CCCO)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C 4231215 ZTZQWHNWZIBRLZ-UHFFFAOYSA-N 397.450 3.701 0 40 GHAB CCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1-n1cccc1 4518605 BYDKMCONYWXUGY-UHFFFAOYSA-N 375.885 3.728 0 40 GHAB COc1ccc(S(=O)(=O)NCC(C)C)cc1NC(=O)c1ccc(Cl)cc1 6049543 ZKLRJVYGLPKBET-UHFFFAOYSA-N 396.896 3.535 0 40 GHAB CCCSc1nnc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)s1 6593564 RYJLVYVFKMQVHC-VQHVLOKHSA-N 395.506 3.718 0 40 GHAB Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1S(=O)(=O)N(C)C 6881539 PASUQSNDXOBZOA-UHFFFAOYSA-N 386.395 3.516 0 40 GHAB Cc1ccc(C2=NN(C(=O)CSc3nncs3)[C@@H](c3ccco3)C2)cc1 7194884 YNLCLHORIISZLS-OAHLLOKOSA-N 384.486 3.910 0 40 GHAB CCCCn1nnnc1NCc1ccc(OCc2ccccc2F)c(OC)c1 7262154 MCIHKEJCUXMCPS-UHFFFAOYSA-N 385.443 3.812 0 40 GHAB Cc1ccc(F)cc1NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 7974080 CZSZQHHDUPNWEN-WEVVVXLNSA-N 379.334 3.931 0 40 GHAB CO[C@H]1O[C@H]2CC[C@H]3[C@@H]2[C@@H]2[C@H]4[C@H]5[C@H]([C@@H]6CC[C@H]7O[C@H](OC)[C@](C)([C@@H]5[C@@H]67)[C@@H]43)[C@]12C 104294872 HXAAVHKBTACSRV-XVFUDKHYSA-N 386.532 3.546 0 40 GHAB Cc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)NC(=O)CO4)cs2)cc1 32739306 CXSKOWQQADGXGU-UHFFFAOYSA-N 379.441 3.631 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2cc(Cl)ccc2C)n1 8476767 QOCCVLDNRQQQAY-UHFFFAOYSA-N 398.894 3.971 0 40 GHAB Oc1nc(S)ncc1Oc1ccc(Br)cc1Br 8616261 UCVMTTZBFHRONV-UHFFFAOYSA-N 378.045 3.788 0 40 GHAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2nc(C)ncc2-c2onc(C)c2C)CC1 100157753 BPHYEZMIMIXGIY-SCTDSRPQSA-N 398.507 3.926 0 40 GHAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1nc(-c2ccc(F)cc2)cs1 24928204 MIRGPTBKGMJANX-INIZCTEOSA-N 383.404 3.678 0 40 GHAB CC(=O)NCCc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)s1 25203595 DSYWTTKGCHIMPT-UHFFFAOYSA-N 382.514 3.648 0 40 GHAB CC(=O)Nc1ccc(OC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)cc1 55980368 ZLOVQWYGGORYDD-CQSZACIVSA-N 392.864 3.570 0 40 GHAB C[C@@H](NC(=O)c1coc(=O)c(Br)c1)[C@@H]1[C@H]2C[C@H]3C[C@@H]2CC[C@@H]1C3 101187727 PGLXEDMYMQAPFM-VFHGRFQUSA-N 380.282 3.593 0 40 GHAB CC1(C)CC(=O)c2sc(NC(=O)CCCn3c(=O)oc4ccccc43)nc2C1 47374455 FPGUXFBMZHAPOO-UHFFFAOYSA-N 399.472 3.625 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)Cn1c(-c2ccccc2)nc(C)cc1=O 57526618 LKCPNHVEOHDWCJ-UHFFFAOYSA-N 397.862 3.828 0 40 GHAB O=S1(=O)CC[C@@H](n2nc(C3CC3)cc2NCc2cccc(C(F)(F)F)c2)C1 89774537 PRSUUJWFKFWIIZ-OAHLLOKOSA-N 399.438 3.751 0 40 GHAB Cc1ccc(CN(C)C(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 20037721 OVAXGLYGIROLIV-UHFFFAOYSA-N 388.533 3.543 0 40 GHAB O=S(=O)(NCCCOC1CCCCC1)c1ccccc1OC(F)(F)F 23403242 RUNBWJNGYURFPH-UHFFFAOYSA-N 381.416 3.603 0 40 GHAB CCN(CC)c1ccc(NC(=O)COC(=O)c2ccc3ccccc3n2)cc1 3253956 DNSXGQKMCUVDFA-UHFFFAOYSA-N 377.444 3.877 0 40 GHAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1C(=O)c1ccccc1 8406522 AQSRHQHWVWLJNN-OAQYLSRUSA-N 384.479 3.922 0 40 GHAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 37866401 STYZESLYMQLMDW-FQEVSTJZSA-N 384.391 3.946 0 40 GHAB aggregator Cc1ccc(C2=NN(C(=O)COc3ccccc3C)[C@@](O)(C(F)(F)F)C2)cc1 27570372 PFFPWBLVRGTKAL-IBGZPJMESA-N 392.377 3.570 0 40 GHAB CCOc1ccc(-n2c(S[C@H]3CCOC3=O)nnc2-c2ccccc2)cc1 3400041 ZESXNYJQJNCKJZ-KRWDZBQOSA-N 381.457 3.741 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3464962 XWSDIMPAKLQHGP-OAHLLOKOSA-N 386.451 3.858 0 40 GHAB CCOc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccccc2Cl)cc1 12919782 OLDWRKCXZWSNPW-LJQANCHMSA-N 386.879 3.832 0 40 GHAB CCCn1nc(C(=O)N[C@H]2CCSc3c(F)cccc32)c2ccccc2c1=O 12973592 ZXXQEVRNDVMUQX-KRWDZBQOSA-N 397.475 3.913 0 40 GHAB CCOc1cc(C(=O)O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 13463359 JYPSCWDUHAJXAT-UHFFFAOYSA-N 391.228 3.858 0 40 GHAB CN(C)C(=O)COC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1 6007064 ALMMDAVGDXTPQF-UHFFFAOYSA-N 396.468 3.776 0 40 GHAB Nn1cc(-c2ccccc2)nc1SCC(=O)N[C@@H]1CCCc2ccccc21 4251750 GGGUFCSNOBNVHD-GOSISDBHSA-N 378.501 3.550 0 40 GHAB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NCCC3=CCCCC3)n2)cc1 6141750 LWCBHGRQTRTKLR-CQSZACIVSA-N 386.521 3.968 0 40 GHAB CCCOC(=O)c1ccc(Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 5183157 ASBVPISWDMDXNM-CYBMUJFWSA-N 397.500 3.593 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)COc1ccc(F)cc1Cl)c1ccc(F)cc1 9115235 DOPFYFYXXHUEEU-SFHVURJKSA-N 391.805 3.636 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CCNC(=O)CCC(=O)c1cccs1 14136888 VBXGXYOEUZVELP-UHFFFAOYSA-N 378.881 3.818 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@]2(CC(=O)O)CC(/C=C/c3ccccc3)=NO2)cc1 5451021 RHJRYPORLSEFQT-FNNXTJRKSA-N 392.411 3.531 0 40 GHAB COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1ccc(F)c(F)c1)CC2 5450920 QWTDTDLYVIFALD-LBPRGKRZSA-N 376.403 3.540 0 40 GHAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc3ncccc23)c1 5938229 IEKMYXKCQJJHBH-UHFFFAOYSA-N 383.473 3.516 0 40 GHAB COc1cc(CCC(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)cc(OC)c1 7272189 NATQWYKPRSXGNR-CQSZACIVSA-N 381.428 3.932 0 40 GHAB CNc1nnc(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)s1 7383218 FXXMWAOTWQJFCB-CQSZACIVSA-N 394.522 3.778 0 40 GHAB COc1ccc(CNC(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cc1 23141016 BNHHEVTYDSJOBF-UHFFFAOYSA-N 398.488 3.896 0 40 GHAB Cc1ccc2oc(C(=O)NC[C@H](c3ccc(C)o3)N3CCCCC3)cc(=O)c2c1 15860421 ALRDSFCMIQMJLJ-GOSISDBHSA-N 394.471 3.960 0 40 GHAB CC(=O)Nc1ccc(SCC(=O)N(Cc2ccco2)c2cccnc2)cc1 9118398 MSOVJOAEHOENTN-UHFFFAOYSA-N 381.457 3.959 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)c1cc(=O)c2cc(Cl)ccc2o1 8012880 UMTGLMDSXVMZKG-UHFFFAOYSA-N 396.874 3.972 0 40 GHAB CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc3ccccc3n1)c1ccccc1O2 8130777 VDTKLAAGIQADRH-OAQYLSRUSA-N 387.483 3.953 0 40 GHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CNC(=O)c1ccccc1Cl 8279846 PUGOXEDZKNQAHO-GFCCVEGCSA-N 387.892 3.899 0 40 GHAB Fc1cccc(-c2nnc([C@@H]3CC34CCN(Cc3nc(C5CC5)no3)CC4)o2)c1 71890580 QFNBGHBOPZQIAA-INIZCTEOSA-N 395.438 3.906 0 40 GHAB Cc1oc(-c2cccs2)nc1C(=O)N[C@@H](c1nnc2ccccn12)C(C)C 84052963 XGYOBFMDDUOZKM-OAHLLOKOSA-N 381.461 3.881 0 40 GHAB CSCC[C@H]1NC(=S)N([C@H]2CCCc3cc(OC(F)F)ccc32)C1=O 69630236 IVAMBYYIPRODBX-KGLIPLIRSA-N 386.489 3.504 0 40 GHAB C[C@@H]1CN(C(=O)Nc2ccc([S@](C)=O)cc2)[C@H](C)CN1Cc1ccccc1 95452087 IJCFERMCMGJBOB-DDWQGHIRSA-N 385.533 3.551 0 40 GHAB Cc1ccc(NC(=O)N[C@H](C)c2ccon2)cc1NC(=O)N[C@H](C)c1ccon1 95462257 ZSGWPPNKCMCNQF-CHWSQXEVSA-N 398.423 3.736 0 40 GHAB C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NCc1ccco1 95441031 NGRGZJJYVURWTA-MLGOLLRUSA-N 379.254 3.714 0 40 GHAB C[C@H]1[C@@H](C)Sc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 79105651 OKTOOHYSOLGZFO-QWHCGFSZSA-N 388.514 3.649 0 40 GHAB Cc1cc(O)nc(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@@H]32)n1 408545523 ZLZDQERGOKLVMA-DZGCQCFKSA-N 383.498 3.585 0 40 GHAB O[C@]1(c2ccc(Cl)cc2)CN(c2ccc3c(c2)OCCO3)C2=[N+]1CCCCC2 27525294 ZFSFIXSEIBBZPZ-QFIPXVFZSA-N 399.898 3.762 0 40 GHAB CCCCn1cc(I)c(COCCC(F)(F)F)n1 408717204 WWFUBQHZXFSGKK-UHFFFAOYSA-N 376.160 3.757 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(C)c3C)ccc21 64947115 ZXZKSJXAJFATSG-UHFFFAOYSA-N 376.503 3.891 0 40 GHAB O=C(O)Cc1c(-c2ccc3c(c2)OCCO3)oc2c1c(=O)oc1ccccc12 524729301 NFCQICWYUWHRDU-UHFFFAOYSA-N 378.336 3.605 0 40 GHAB biogenic CCOc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1OCC 32398977 PCAANELHLSOSIN-UHFFFAOYSA-N 382.504 3.662 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(Cl)cc3)oc2c1 32127494 SKRNERLTPZKFEO-UHFFFAOYSA-N 388.836 3.566 0 40 GHAB CC(C)c1nccn1-c1cccc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 72378880 SHCSPQJEKXLNIX-SFHVURJKSA-N 375.476 3.806 0 40 GHAB C[C@H]1C[C@@H](c2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)CCN1C 564718976 ZCBFCNGVBPCNIF-RYUDHWBXSA-N 392.385 3.534 0 40 GHAB Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(Cc3nc[nH]n3)cc2)cc1 1566079297 OONSDLQWTMPEKH-UNMCSNQZSA-N 390.487 3.602 0 40 GHAB O=C(CCCc1nc(-c2cccs2)no1)NCCOc1cccc(Cl)c1 40113599 VYWABEQTFCKRTO-UHFFFAOYSA-N 391.880 3.969 0 40 GHAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 220262360 LNPZUIMNIKKXTO-ZDUSSCGKSA-N 380.897 3.696 0 40 GHAB COc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc(Br)cc1 224730211 UQTLSHVGZCOLKQ-UHFFFAOYSA-N 390.686 3.936 0 40 GHAB COC(=O)c1ccc(CS(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 44839952 RYJNXHIRIQYMFL-OAHLLOKOSA-N 389.517 3.951 0 40 GHAB Cc1ccc(OCCNC(=O)COc2ccc(Br)c(C)c2)cc1C 224242516 AIXQXWHMGLPVAI-UHFFFAOYSA-N 392.293 3.948 0 40 GHAB COc1ncccc1NC(=S)NCC1(c2ccc(Cl)cc2)CCOCC1 224016960 YZOIQCMKBPGXNR-UHFFFAOYSA-N 391.924 3.778 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C(=O)O)cc1 222798836 CZQNMIVJSSWFJR-RBUKOAKNSA-N 392.484 3.563 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc1OC 223097678 AOZAOCPSZLSQAA-KGLIPLIRSA-N 392.455 3.627 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)cc1 223548042 QACUNIATOFXYQU-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB C[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O 223896179 WSPFIRPGKGOTHQ-ZDUSSCGKSA-N 388.961 3.826 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)c(C)cc21 223354530 YQNHSQBRBLKBDZ-UHFFFAOYSA-N 380.853 3.685 0 40 GHAB Cc1c(Cl)cccc1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 223344126 LYMDXAHLKMHEFA-UHFFFAOYSA-N 387.244 3.548 0 40 GHAB CN(C)c1cccc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c1 90607573 BIRHNGUGXIGFJV-UHFFFAOYSA-N 393.409 3.850 0 40 GHAB Cc1cc(CNC(=O)c2cccc(C(F)(F)F)c2)nc(N2CCCCC2)n1 96121096 XQUJJIHQAHVARM-UHFFFAOYSA-N 378.398 3.724 0 40 GHAB C[C@@H](CNCc1cccc(N2CCOCC2)n1)c1ccc(C(F)(F)F)cc1 585084399 PJMLXEWWZVFCBI-HNNXBMFYSA-N 379.426 3.830 0 40 GHAB COc1ccc(CN(C)C(=O)CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 585080220 LVHDTUHFSSQDJD-KRWDZBQOSA-N 384.442 3.708 0 40 GHAB C[C@]1(c2cc[nH]n2)CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCO1 257301719 RZPYMSWDMYDJSL-JOCHJYFZSA-N 377.444 3.523 0 40 GHAB Cc1ccc([C@H](C)C(=O)NC[C@H]2CC[C@H](c3n[nH]c4nccnc43)CC2)cc1 257201224 AGUIISVTRGVVBB-BQFCYCMXSA-N 377.492 3.855 0 40 GHAB O=C(c1ccc(O[C@H]2CC2(F)F)cc1)N1CCC(c2ncc(Cl)cn2)CC1 606445102 YNWAFSCTCNGFEH-INIZCTEOSA-N 393.821 3.936 0 40 GHAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(C[C@H]1CCCO1)C3 54313279 MNRDOOKPXOEMCL-OAHLLOKOSA-N 393.439 3.800 0 40 GHAB biogenic O=C(NC1(c2cccc(Br)c2)CCOCC1)c1occ2c1CCC2 671672757 MILXFHWIVAKHLJ-UHFFFAOYSA-N 390.277 3.967 0 40 GHAB O=C(N1CC[C@H](S(=O)(=O)c2ccccc2)C1)C1(c2cccs2)CCCC1 96025366 GTWHLKVDPDRGRF-KRWDZBQOSA-N 389.542 3.635 0 40 GHAB C[C@H]1CN(C(C)(C)CNc2nc(C(F)(F)F)nc3ccccc23)C[C@@H](C)O1 1611764400 DNXBJVPGMDHINI-BETUJISGSA-N 382.430 3.948 0 40 GHAB COc1cc(CCC(=O)N(C)Cc2ccccc2Cl)cc(OC)c1OC 5421809 HYAMTRRGWXABQH-UHFFFAOYSA-N 377.868 3.957 0 40 GHAB Cc1cccn2c(NC(C)(C)C)c(C3CCN(C(=O)C4CCOCC4)CC3)nc12 12128029 WZHKFHNAGBAITP-UHFFFAOYSA-N 398.551 3.986 0 40 GHAB O=C(CCc1ccc(-c2ccc(F)cc2)o1)N1CCn2c(nnc2C2CC2)C1 12158622 YUPAUOXHDNBUCR-UHFFFAOYSA-N 380.423 3.530 0 40 GHAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)n1 12201143 VADSETSVKSMJKB-SJKOYZFVSA-N 383.835 3.879 0 40 GHAB O=C(NCc1cccs1)c1cc(-c2cccnc2)c(N2CCOCC2)s1 13266291 NPMBGSZXJJPJGF-UHFFFAOYSA-N 385.514 3.638 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCSCc2ccccc2)c1 13688107 MDNKQJVYNHBUFH-UHFFFAOYSA-N 387.457 3.522 0 40 GHAB Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 13988066 HGMZRCVSAIHPEE-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB CCCC(=O)N1N=C(c2ccc(OC)cc2)Sc2c1ncn2C(=O)CCC 16777666 OXJMJOQKULEOIO-UHFFFAOYSA-N 386.477 3.933 0 40 GHAB COc1ccc(OCc2nnc(NC(=O)Nc3cccc(OC)c3)s2)cc1 17044441 ZTKMKERODIJAPS-UHFFFAOYSA-N 386.433 3.778 0 40 GHAB Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 19214611 VDNGNESNRRWVFW-IRXDYDNUSA-N 390.487 3.653 0 40 GHAB C[C@@H]1Cc2cc(-c3csc(NC(=O)c4cc5c([nH]c4=O)CCC5)n3)ccc2O1 19498247 FEOHFDYHWCVQIV-LLVKDONJSA-N 393.468 3.563 0 40 GHAB COc1ccc(CC(=O)N2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)cc1 19554281 ZEZRKFGFWZGNCJ-OAQYLSRUSA-N 380.419 3.525 0 40 GHAB Cc1cc(C(=O)N[C@@H](C)c2nc3cc(-c4ccc(F)cc4)ncn3n2)cs1 19572026 PYFHEHLGIJBIGI-LBPRGKRZSA-N 381.436 3.791 0 40 GHAB COc1ccc([C@@H](NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)C2CC2)cc1 19659923 GQPFGNOSCVXFDL-IBGZPJMESA-N 386.835 3.524 0 40 GHAB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cccc(F)c1 7468852 FZLNQXYSZXAFTG-YBFXNURJSA-N 395.434 3.638 0 40 GHAB O=C(Nc1c(F)cccc1F)N1CC[C@@H](Oc2ccc(Br)cn2)C1 238951622 XAXUUXPTXPVLPU-LLVKDONJSA-N 398.207 3.808 0 40 GHAB C[C@@H](CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2049238358 KFMBVCVREUOCAU-NHWNTNTPSA-N 376.537 3.864 0 40 GHAB CCCCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2c1=O 4792043 GAJUOUBUXQKCLM-UHFFFAOYSA-N 379.460 3.749 0 40 GHAB COc1ccc(-c2cn3c(C)c(C(=O)NCc4cccnc4)sc3n2)cc1 6309209 PQSLYMGGIKLSJY-UHFFFAOYSA-N 378.457 3.705 0 40 GHAB CCn1nc(C)cc1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 11696038 IWVQOSRTDMGQPV-UHFFFAOYSA-N 380.429 3.694 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(SCC(=O)Nc3nc(C)cs3)nn2)cc1 13701680 BVPDFRMPNRVEOF-UHFFFAOYSA-N 399.501 3.533 0 40 GHAB CCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cccc(F)c21 100909246 VRRJWPFWJMXPOX-VZCXRCSSSA-N 390.436 3.629 0 40 GHAB Cc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccccc4C)no3)ccn2n1 38652012 FDVBHBMKAPJMNR-UHFFFAOYSA-N 397.438 3.878 0 40 GHAB CO[C@H]1CCN(c2ccc(C(=O)NCc3cccnc3-c3ccsc3)cc2)C1 225647648 WOJZWCXKMVXQFP-FQEVSTJZSA-N 393.512 3.965 0 40 GHAB CCc1nc(OCC(=O)Nc2cccc(Br)c2)c2ccccc2n1 33287308 JKCVZGGOMZGWNU-UHFFFAOYSA-N 386.249 3.972 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)N[C@@H](C)CCc2ccccc2)CC1 40103972 MZDUNEIRPVHACC-IBGZPJMESA-N 380.536 3.971 0 40 GHAB COc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C(C)C)CC4)c1 20289864 WVLOAPJMXZNFOP-UHFFFAOYSA-N 396.516 3.906 0 40 GHAB Cc1cc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)ccc1N1CCCC1 30957231 YBGKKXSTJWAEGS-UHFFFAOYSA-N 392.908 3.904 0 40 GHAB COc1cccc(CNC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c1 5975959 XONNWWPQWWHKHB-UHFFFAOYSA-N 391.423 3.961 0 40 GHAB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc2c(c1)OCCO2 5944282 IVGGEUJYSCVSQH-JTQLQIEISA-N 389.458 3.689 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)NCc2ccc(C)cc2)nc2cc(C)[nH]c2c1=O 67238803 NTDCOYTZQLIHSN-OAHLLOKOSA-N 398.532 3.721 0 40 GHAB Cc1cccc(-c2nc3c(c(SCCN4CCOCC4)n2)COC(C)(C)C3)c1 20548211 VVSWTEBKNKQEER-UHFFFAOYSA-N 399.560 3.728 0 40 GHAB COc1cccc(-c2nn3c(-c4cc(OC)c(OC)c(OC)c4)nnc3s2)c1 4383995 GQYRPQCGIVMSTP-UHFFFAOYSA-N 398.444 3.554 0 40 GHAB Cc1ccc([C@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 101298318 SPINRZMXFNVZDB-LJQANCHMSA-N 388.427 3.736 0 40 GHAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)Nc1cccc2c1CCCC2 4968216 NFMNPDDEPQJFGD-UHFFFAOYSA-N 377.419 3.567 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)cc1 11566391 FQPZDAYYQFOGQV-UHFFFAOYSA-N 385.316 3.813 0 40 GHAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2c(C)cccc2C(C)C)cc1 6891548 KSHWBJWURHTGHG-UHFFFAOYSA-N 388.533 3.988 0 40 GHAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN[C@H](c1ccc(C)cc1)C1CC1 32899660 UJUICAPUAMIEGM-NZQKXSOJSA-N 383.488 3.687 0 40 GHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)NC[C@@H](C)c1ccccc1 32908162 BSNBDCFOYUCPKK-CYBMUJFWSA-N 383.517 3.877 0 40 GHAB CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(CN2CCOCC2)cc1 22841147 QYGDMIGOGNEGFD-UHFFFAOYSA-N 396.531 3.512 0 40 GHAB O=C(NCc1cc2ccccc2[nH]1)c1cnn2c(C(F)F)cc(C3CC3)nc12 2778927 ZAJPJHBQSDONER-UHFFFAOYSA-N 381.386 3.956 0 40 GHAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(Cc2ccsc2)CC1 22916270 CEBZURKWMLVCIA-CYBMUJFWSA-N 381.904 3.685 0 40 GHAB CC(=O)N[C@H](CC(=O)n1ccc(C)c/c1=N\C1CCCCC1)c1cccs1 23199659 JIZDSIFIVGTYSW-HLNJFSBGSA-N 385.533 3.999 0 40 GHAB COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 991311 MNWZVYPSPCWCER-UHFFFAOYSA-N 389.407 3.987 0 40 GHAB COc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1OC 23230147 UTGIGBDBNDJJQP-UHFFFAOYSA-N 375.471 3.898 0 40 GHAB Cc1ccccc1N(CC(=O)N(C)C1CCCC1)S(=O)(=O)c1ccccc1 20487918 MOCHMZASGATCQN-UHFFFAOYSA-N 386.517 3.591 0 40 GHAB COc1ccc([C@H]2[C@H](C(=O)NC(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 24973000 CCLYNJLFRVOTIF-IRLDBZIGSA-N 396.487 3.713 0 40 GHAB COc1ccccc1NC(=O)N1CCN(CCOc2ccccc2Cl)CC1 24971382 GUDXMHQLVOWZGQ-UHFFFAOYSA-N 389.883 3.577 0 40 GHAB O=C(N[C@H]1CCOc2c(Cl)cccc21)C1CCN(CC(F)(F)F)CC1 55456811 URGQFFCWBCIHMO-AWEZNQCLSA-N 376.806 3.554 0 40 GHAB C[C@H](Cn1cc(Cl)cn1)C(=O)Nc1cnn(Cc2ccc(F)cc2Cl)c1 28229731 RTRWZYGQKSIRKL-LLVKDONJSA-N 396.253 3.849 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(N2CCCC2)cn1 25660089 ITOZGCGUDMCDML-UHFFFAOYSA-N 389.381 3.689 0 40 GHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)o1 25670425 QHWVXWXKNFIZOJ-KUSISRCJSA-N 378.425 3.566 0 40 GHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(Cl)c1O 12556285 XYFWAKQHGMSDFA-YJYMSZOUSA-N 388.851 3.800 0 40 GHAB CC(C)[C@H](NC(=O)N1CCc2ccc(O)cc2C1)c1ccc2c(c1)OCCO2 43883827 JVYNLTGRKCLGAJ-NRFANRHFSA-N 382.460 3.628 0 40 GHAB COC(=O)c1ccc(F)c(NC(=O)CCCc2nc(-c3ccccc3)no2)c1 26501325 HGROXRUUGTUKTQ-UHFFFAOYSA-N 383.379 3.624 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)c3cccnc3OCC(F)(F)F)ccc12 57861492 ORLQEFUMNJOYLS-UHFFFAOYSA-N 378.306 3.690 0 40 GHAB O=C(Nc1ccn(Cc2ccccn2)n1)c1cccnc1SC(F)(F)F 58192106 URZUHYUMVMBWRY-UHFFFAOYSA-N 379.367 3.586 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccncc1)CC2 3235311 XQDHXVRVMKORAL-HXUWFJFHSA-N 380.469 3.948 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(C)c1C)n1ncc(-c2ccc(OC)cc2)nc1=O 44804322 XPSZXMAYDVEVTR-FQEVSTJZSA-N 392.459 3.521 0 40 GHAB CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 10241597 OOJIXCCAMHCXIG-LBPRGKRZSA-N 394.876 3.734 0 40 GHAB C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 28011393 DPTZOOXIEWHODB-XLDMSTKGSA-N 386.488 3.647 0 40 GHAB COc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1Cl 3348633 JCRRCKKSQRLNCY-UHFFFAOYSA-N 381.837 3.555 0 40 GHAB Cc1ccc2c(COC(=O)c3cccc(C[S@@](C)=O)c3)cc(=O)oc2c1C 10778726 XNCLFGUGSVIITO-MHZLTWQESA-N 384.453 3.645 0 40 GHAB Cc1c(NC(=O)/C=C/c2ccc(OC(F)F)cc2)c(=O)n(-c2ccccc2)n1C 3353453 WVLAANWKGLCUMR-JLHYYAGUSA-N 399.397 3.738 0 40 GHAB CCCc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)sc1C 12738961 FZUDJHYUINMIGM-UHFFFAOYSA-N 386.517 3.696 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccnn3C3CCCC3)C2)cc1 48355990 NNCHSTYIBQBXRD-SFHVURJKSA-N 380.492 3.798 0 40 GHAB Cc1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 7598545 ANMDKPUQFWSKKQ-UHFFFAOYSA-N 399.878 3.934 0 40 GHAB CCc1ccccc1N1C[C@H](C(=O)OCc2nc3ccccc3nc2C)CC1=O 12928829 MIBVGYYTGQVDLI-QGZVFWFLSA-N 389.455 3.597 0 40 GHAB C[C@@H](NC(=O)Cc1nnc(S)n1Cc1ccccc1)c1cccc(Cl)c1 12944257 KOZPWBDYQOUDFC-CYBMUJFWSA-N 386.908 3.688 0 40 GHAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cccc(C(=O)NC)c2)CC1=O 7778019 MUPXCSJEPAXHHU-RDJZCZTQSA-N 393.487 3.551 0 40 GHAB O=C(CCn1cnc2ccccc2c1=O)NCCC12CC3CC(CC(C3)C1)C2 16469444 QZROYCATSZKKSQ-UHFFFAOYSA-N 379.504 3.509 0 40 GHAB FC(F)(F)c1ccccc1CNCCCSc1nnnn1-c1ccccc1 16523835 RORGLEXNXHEOHZ-UHFFFAOYSA-N 393.438 3.953 0 40 GHAB CC(C)(C)c1cc(NC(=O)c2nnsc2NC(=O)Nc2ccccc2)no1 4477924 HHWXARBQAHGOGU-UHFFFAOYSA-N 386.437 3.720 0 40 GHAB CN1CCN(C(=O)Nc2cc3c(cc2Cl)OCCO3)[C@H](c2ccccc2)C1 65516681 BWTLSYLUBJSLKQ-KRWDZBQOSA-N 387.867 3.632 0 40 GHAB O=C(C[C@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1ccc(Cl)cc1 4556469 XOXKERJHGDVLGG-JOCHJYFZSA-N 398.890 3.591 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 4513003 YISRUHFZWHAALV-GFCCVEGCSA-N 376.815 3.869 0 40 GHAB CCc1cccc2c(C(=O)CSCc3cc(=O)n4ccccc4n3)c[nH]c12 6508622 DMTYIJQMTFLZOT-UHFFFAOYSA-N 377.469 3.854 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3cccnc3)n2)cc1 8288828 XDUZEHUGXGAEJV-CYBMUJFWSA-N 381.457 3.952 0 40 GHAB COc1cc(OC)c(NC(=O)c2cncn2-c2ccc(F)cc2)cc1Cl 8230284 ZJRIYIGQADAKBV-UHFFFAOYSA-N 375.787 3.934 0 40 GHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C)c2nc3ccccc3nc21 14814910 ZCLHEOFFKIGRML-CYBMUJFWSA-N 382.851 3.534 0 40 GHAB Cc1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)N1CCCCCC1 6839989 YFDHMDXRWOMSQO-UHFFFAOYSA-N 390.480 3.951 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)OCCCO3)n1C 9643386 RBVLDQHZKMCXSI-UHFFFAOYSA-N 385.445 3.520 0 40 GHAB C[C@@]1(c2ccsc2)NC(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O 72066454 ZVAHKSLAGWRSLP-INIZCTEOSA-N 385.272 3.901 0 40 GHAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)c1C 408640505 IZKORFKSAOEQAE-SFHVURJKSA-N 394.471 3.860 0 40 GHAB CC(C)n1c(CCCCCNC(=O)c2n[nH]c3c2CCC3)nc2ccccc21 96223500 QCGJXXJBMYRETM-UHFFFAOYSA-N 379.508 3.972 0 40 GHAB Cc1csc(NC(=O)COC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 71886870 GPXGBIXRSLSVPA-VXGBXAGGSA-N 384.379 3.756 0 40 GHAB CC(=O)Nc1nc(-c2ccc3c(c2)N(Cc2ccccc2)C(=O)CO3)cs1 19946842 PGJOKOIVEVMFJA-UHFFFAOYSA-N 379.441 3.694 0 40 GHAB O=c1c2ccccc2ncn1CCSc1nnc(Nc2ccccc2)s1 97212536 LYQBHBHVDFWHKK-UHFFFAOYSA-N 381.486 3.784 0 40 GHAB COC(=O)c1nc(NC(=O)c2ccc3c(c2)OCCCO3)sc1CC(C)C 95476852 FOBSLSSORXLNOO-UHFFFAOYSA-N 390.461 3.542 0 40 GHAB COc1ccc(CSc2nnc(Nc3ccc(C(C)C)cc3)c(=O)n2N)cc1 28535807 XPAYYMFEBOTLAJ-UHFFFAOYSA-N 397.504 3.520 0 40 GHAB CN(c1nc2c(s1)C[C@@H](c1ccccc1)CC2)S(=O)(=O)c1cccnc1 89365668 YADROQJORDHEII-HNNXBMFYSA-N 385.514 3.636 0 40 GHAB COC(=O)[C@H](C)CSCC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 524533643 FEVGZWMYNKBOJA-LLVKDONJSA-N 394.518 3.608 0 40 GHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1C 31710955 OENGSHLRWYARHI-ROUUACIJSA-N 396.487 3.618 0 40 GHAB Cc1nc(NC(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)ccc1-c1ccccc1 564417551 DLAUVFBTJVNIDN-PXNSSMCTSA-N 391.475 3.832 0 40 GHAB CCO[C@H](CC(=O)Nc1cc(F)c(N2CCOCC2)cc1F)C1=CCCC1 561457720 WWJDMGJXOVEDBB-LJQANCHMSA-N 380.435 3.645 0 40 GHAB CCOc1ccc(CCCNS(=O)(=O)c2c(C)cc(OC)cc2C)cc1 225878065 MSEFTBYBFIZZTB-UHFFFAOYSA-N 377.506 3.622 0 40 GHAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)c1ccc(Br)cc1 225244627 QEDBEDBOFHPUEQ-MHWRWJLKSA-N 392.322 3.987 0 40 GHAB O=C(NCCc1ccccc1)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 45583844 WHEUDQCOSIXRFI-JOCHJYFZSA-N 386.451 3.601 0 40 GHAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 223590700 UCFWZLDUJKAOAT-RTBURBONSA-N 397.525 3.791 0 40 GHAB O=C1CC2(CCN(S(=O)(=O)c3cccs3)CC2)Oc2cc(Cl)ccc21 225826852 QIQQEQNZCBCWOT-UHFFFAOYSA-N 397.905 3.590 0 40 GHAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1C 222721456 BFEVBSDYHMUPCY-UHFFFAOYSA-N 381.432 3.725 0 40 GHAB Cc1nc(-c2cc(C(=O)N3CCC(N(C)C)CC3)c3ccccn23)cn1C(C)C 96154945 UODWMMHJOKMGBT-UHFFFAOYSA-N 393.535 3.858 0 40 GHAB CC(=O)Nc1ccc(CN2C[C@@H]3CCC[C@](O)(c4cccc(F)c4)[C@H]3C2)cc1 247958507 UKWRYFQDPYCLDJ-TZYHBYERSA-N 382.479 3.904 0 40 GHAB C[C@@H](O)c1cccc(NC(=O)CCCCC(=O)Nc2cccc([C@@H](C)O)c2)c1 255187731 GMAGTDWBGPKONC-HZPDHXFCSA-N 384.476 3.931 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(Cc3ncccc3F)C2)ncn1 257264381 LUCJKKHVKMGHBI-MRXNPFEDSA-N 381.455 3.737 0 40 GHAB COc1ccc(S(=O)(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1C 260740271 MXUOMNHXOGYCGV-GFCCVEGCSA-N 396.306 3.906 0 40 GHAB CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CC=C(c4ccccc4)C3)cc21 1211241130 DQVVKZXCYMTGRX-INIZCTEOSA-N 396.512 3.635 0 40 GHAB COc1nccc2cc(NC(=O)N3Cc4ccccc4NC(=O)[C@H]3C)ccc12 1218224968 AMTCYKPGNRGFDY-CYBMUJFWSA-N 376.416 3.618 0 40 GHAB COc1ncc(NC(=O)Nc2cccc(C(F)(F)F)c2)c(N2CCCC2)n1 96121392 PICFBGWGFNPGBR-UHFFFAOYSA-N 381.358 3.748 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(CCc2ccccc2)Cc2ccccc2)C1 585260810 ZBYPQPXDRNYWAR-FGZHOGPDSA-N 396.531 3.712 0 40 GHAB Cc1nc(C)c(CN2CCOC[C@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)s1 585103667 FHFOLQGTXVVVGM-HTAPYJJXSA-N 399.560 3.572 0 40 GHAB O=C(NC1CCCCC1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3ccccc3OC[C@@H]12 1772595762 LKOSEBSAACJGDX-GIWBLDEGSA-N 398.547 3.544 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N(C)C3CCCCC3)o2)cc1OC 5019645 LCVZPTYIGREUAQ-UHFFFAOYSA-N 391.493 3.637 0 40 GHAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccn2)no1 5246249 FZJLEKYOKRCNBO-QGZVFWFLSA-N 393.786 3.888 0 40 GHAB Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccccc1Cl 5448572 NSUJMPLXFCIFSP-UHFFFAOYSA-N 386.908 3.587 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4ccccc4F)C3)cc2n1 12257858 ATMPZICUTOIEJI-GFCCVEGCSA-N 392.356 3.825 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(C)c1 12790062 KGEANUWJJKQHSI-INIZCTEOSA-N 386.517 3.976 0 40 GHAB CN(c1ccccc1C(=O)N1CCc2ccccc21)S(=O)(=O)c1ccccc1 13668411 BCCPMPRMUHAESO-UHFFFAOYSA-N 392.480 3.715 0 40 GHAB Cc1cc(N2CCN(C(=O)/C=C/c3ccc([C@H]4C[C@@H]4C)o3)CC2)nc(C(C)C)n1 14141501 HGIUHXVGGXTPDX-IESGORFISA-N 394.519 3.987 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)Nc1cccc(C(F)(F)F)c1 15049634 XLRBRHVLXWWOPY-JYRVWZFOSA-N 396.346 3.973 0 40 GHAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2ccccc2)cc1 19418556 PMYLQSBTEVKYIZ-UHFFFAOYSA-N 377.440 3.934 0 40 GHAB CCOc1cccc([C@H](O)CN(C)Cc2c([C@H]3CCCO3)[nH]c3ncccc23)c1 19519996 QLRDMBLRRULLAD-NHCUHLMSSA-N 395.503 3.979 0 40 GHAB CCOc1c(Cl)cc(-c2noc([C@@H]3CC(=O)N(CC(C)C)C3)n2)cc1OC 544906742 UKTBFCZOQYRQMR-CYBMUJFWSA-N 393.871 3.769 0 40 GHAB COc1ccc2c(c1)O[C@@]1(CCCN(Cc3ccccc3Cl)C1)CNC2=O 12086786 PIKBYWQMCPEIBE-NRFANRHFSA-N 386.879 3.506 0 40 GHAB Cc1ccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)o2)s1 19217670 VRRYMZYIMRLEIX-AWEZNQCLSA-N 389.502 3.675 0 40 GHAB COc1cccc(-c2ccc(C(=O)NCC(C)(C)c3cccc(F)c3)c(=O)[nH]2)c1 19717213 ZUNUHJRELSEBDJ-UHFFFAOYSA-N 394.446 3.897 0 40 GHAB COc1ccccc1CCC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 257240943 HVUQLTFTCOLGJQ-LYHRCORUSA-N 381.520 3.645 0 40 GHAB Cc1ccc(-c2nnn(CC(=O)N3CC[C@H](C)Sc4ccccc43)n2)cc1 5036205 CAERCDXEMDGAQW-HNNXBMFYSA-N 379.489 3.566 0 40 GHAB COc1ccc(-c2ccc(=O)n(CCCC(=O)N[C@H](C)c3ccccc3)n2)cc1 11693315 JZDAHMNFUIWIAY-QGZVFWFLSA-N 391.471 3.577 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@H](c3ccccc3)CC2)cc1 208043668 KLSJLVKURAUUCT-IBGZPJMESA-N 390.530 3.514 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC[C@@H](Oc2ncccn2)C1 575612264 KMQVZJQKTPSUPA-HXUWFJFHSA-N 388.471 3.819 0 40 GHAB COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc12 4735736 LCXUDIMBMARWTN-UHFFFAOYSA-N 396.424 3.877 0 40 GHAB Cc1ccc(C)c(Cn2c(CCNC(=O)CC[C@H](C)O)nc3ccccc32)c1 7546245 AHEMBAKPEAWKHU-SFHVURJKSA-N 379.504 3.521 0 40 GHAB CCc1noc(C)c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19521256 YLTGRYNVONIYHL-DSKINZAPSA-N 385.483 3.825 0 40 GHAB Cn1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1=O 40059843 ISILYZQLRRPDMU-UHFFFAOYSA-N 394.283 3.992 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)Cc1ccc(-n3nc(C)cc3C)cc1)OCO2 40129392 WPGYRZTVZJMDIW-UHFFFAOYSA-N 391.427 3.602 0 40 GHAB Clc1ccccc1-c1nnc2sc(-c3n[nH]cc3Br)nn12 40267842 ODYCRTCMGIRABJ-UHFFFAOYSA-N 381.646 3.659 0 40 GHAB O=C(NCc1csc(-c2ccccc2)n1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 28509233 ZPNPELDGABTTQH-MRXNPFEDSA-N 395.484 3.572 0 40 GHAB Nc1c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc2n1C1CCCC1 2411144 LUGXLENKQAFZDC-AWEZNQCLSA-N 380.448 3.618 0 40 GHAB COc1ccc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)cc1 792972 UDQSJMIGSAKCQB-UHFFFAOYSA-N 388.470 3.810 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 36613737 IXXXHDSDZDDKGH-NSHDSACASA-N 381.432 3.917 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)o2)cc1 928201 WONQTMMRHXOYTO-ZDUSSCGKSA-N 381.457 3.815 0 40 GHAB C[C@@H](C(=O)Nc1cccc2ncccc12)n1nnc(-c2ccc(Cl)cc2)n1 31654365 ZSAQEYLBZXCFDA-LBPRGKRZSA-N 378.823 3.741 0 40 GHAB CCc1ccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2cccnc2)cc1 1328617 FECFLSXIFDYTKI-UHFFFAOYSA-N 395.532 3.899 0 40 GHAB CN(C)CCOc1ccc(I)cc1Cc1ccccc1 1718668 JALWTJALKALLHX-UHFFFAOYSA-N 381.257 3.822 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)[C@H]3CCCO3)cc2c1 4230983 FRIYYANFUDTSNN-HXUWFJFHSA-N 396.512 3.860 0 40 GHAB CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2ccccc2)cc1Cl 6348863 WQNFKRSINHHRPE-UHFFFAOYSA-N 375.808 3.737 0 40 GHAB CC(=O)c1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 2664231 BJBYBSMQMHOLRT-UHFFFAOYSA-N 397.434 3.900 0 40 GHAB Cn1ccnc1[C@H](NC(=O)NCCSc1ccccc1)c1cccc(F)c1 32802417 MHOWAUNWQZTGLR-GOSISDBHSA-N 384.480 3.740 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1 2709374 AAJJJQPGWIENPK-UHFFFAOYSA-N 376.821 3.614 0 40 GHAB Cc1cnc2c(S(=O)(=O)NCCSCc3ccccc3F)cccc2c1 32905403 BWAXLRUTCGCRQV-UHFFFAOYSA-N 390.505 3.894 0 40 GHAB Cc1c(Cc2ccccc2)sc(NC(=O)COc2ccccc2)c1C(N)=O 670605 DPEJDEJAKOLPPK-UHFFFAOYSA-N 380.469 3.764 0 40 GHAB COc1cc([C@@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1O 59459460 IMFROXBWVYYJSH-HNNXBMFYSA-N 385.470 3.837 0 40 GHAB Cn1cc(CNC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 53410555 MMOVWTCSORPWGU-NSCUHMNNSA-N 377.288 3.787 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(Br)c2)NC(=O)N1 799808 MOIGKHBMOTYFPF-INIZCTEOSA-N 386.249 3.716 0 40 GHAB COc1ccccc1NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 812743 QTSTUJQXKYHRKP-UHFFFAOYSA-N 391.452 3.772 0 40 GHAB C[C@H]1CCCCN1CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 23259112 OWHNABDVBUEITH-INIZCTEOSA-N 386.517 3.927 0 40 GHAB O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1cc(Br)c[nH]1 54314156 QZTHQUQSUQBCOL-UHFFFAOYSA-N 397.700 3.909 0 40 GHAB COc1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 1003688 RZGUWRQJLLHFAP-UHFFFAOYSA-N 382.460 3.775 0 40 GHAB COc1cc([C@@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)cc(OC)c1OC 20632689 QQLPEQINXZAEGW-AWEZNQCLSA-N 378.428 3.811 0 40 GHAB O=C(c1cccc2cccnc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23866909 HNTPPMLEEUYTNV-UHFFFAOYSA-N 386.377 3.611 0 40 GHAB O=S(=O)(Nc1cncc(Br)c1Cl)c1ccc2c(c1)CCC2 89807672 ZMFCJOOKDQWWRC-UHFFFAOYSA-N 387.686 3.787 0 40 GHAB CCOc1ccc2nc(NC(=S)NC(=O)c3ccccc3F)sc2c1 1413784 ADIFOPYWYBZTCU-UHFFFAOYSA-N 375.450 3.961 0 40 GHAB CS(=O)(=O)Nc1ccc(-c2csc(NCc3ccc(F)cc3)n2)cc1 12521298 DAUIKFUEKLIEKH-UHFFFAOYSA-N 377.466 3.933 0 40 GHAB CCCCN1C(=S)N[C@H](c2ccccc2)C(C(=O)Nc2cc(C)on2)=C1C 24970449 UVODPBHFDMVWHA-GOSISDBHSA-N 384.505 3.927 0 40 GHAB C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC(CCc2ccc(O)cc2)CC1 26114857 AIYKKKWIBQBHEN-KRWDZBQOSA-N 384.495 3.881 0 40 GHAB CN(CCOc1ccc(Cl)cc1)CN1C(=O)C(=O)c2c(Cl)ccc(F)c21 26552688 PFCGHAAUSVMSAK-UHFFFAOYSA-N 397.233 3.630 0 40 GHAB CC(C)C[C@@H](C(=O)N1CCCc2ccccc21)N1C(=O)c2ccccc2C1=O 3279402 TXNPCVBYRWYBCV-FQEVSTJZSA-N 376.456 3.677 0 40 GHAB C[C@H](CNC(=O)Nc1cccc(Oc2cnccn2)c1)N(C)c1ccccc1 58086274 JYSHNRRFWMMNSA-MRXNPFEDSA-N 377.448 3.915 0 40 GHAB CC(=O)NCc1ccc(C(=O)CSc2ncnc3sc(C)c(C)c23)o1 7779799 GZRPKEGQUJYROI-UHFFFAOYSA-N 375.475 3.512 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)NCC12CC3CC(CC(C3)C1)C2 10225013 UDLPYDLGPOLCHL-UHFFFAOYSA-N 388.508 3.728 0 40 GHAB CCOCCn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 27792622 HKDFGRSOBLMKJW-MRXNPFEDSA-N 379.460 3.602 0 40 GHAB COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 113885380 QCINKWKRAUNPLV-UHFFFAOYSA-N 392.235 3.501 0 40 GHAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2ccccc2O)CC1 58450338 YHWOKQIWJLDMMN-CYBMUJFWSA-N 394.302 3.848 0 40 GHAB O=C1CCc2cc(-c3csc(NC(=O)c4n[nH]c5ccccc45)n3)ccc2N1 10556381 MAZPZGCEZXLIKP-UHFFFAOYSA-N 389.440 3.823 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N(C)C)cc1 28289776 ZYDFDJVCSSRHQS-IBGZPJMESA-N 378.472 3.751 0 40 GHAB Cc1ccccc1-n1ncc(C(=O)N2CCN(Cc3ccsc3)CC2)c1C 36392169 RHICEIIBOVVGFF-UHFFFAOYSA-N 380.517 3.509 0 40 GHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)Nc1ccn(Cc2ccccc2)n1 48308836 CFODPXLINNAMAV-UHFFFAOYSA-N 389.459 3.602 0 40 GHAB COc1cc(CNCc2cccc(NC(=O)c3ccncc3)c2)cc(OC)c1 48375238 MWOCGUVDMSKISJ-UHFFFAOYSA-N 377.444 3.641 0 40 GHAB Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cccc3ncccc23)c1C 12899859 KYNPQCXOBURWOS-KRWDZBQOSA-N 390.487 3.749 0 40 GHAB COc1cc(C(=O)NCCCn2cnc3ccccc32)ccc1OCC(C)C 12816530 XJPJSLWODIKSJX-UHFFFAOYSA-N 381.476 3.900 0 40 GHAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1cccc(Cl)c1 3483723 VIHSNMXAIRDVQI-UHFFFAOYSA-N 398.802 3.981 0 40 GHAB C[C@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccccc1Br 12914142 SPBWNSJRPACDEU-ZDUSSCGKSA-N 390.281 3.838 0 40 GHAB COc1cccc([C@H](CNC(=O)CCc2nc3ccccc3s2)N(C)C)c1 12935364 CFNBKORQTDEGHL-SFHVURJKSA-N 383.517 3.657 0 40 GHAB Cc1ccc(CNC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12975091 ZWWMTFXOXZXWMN-FQEVSTJZSA-N 380.488 3.610 0 40 GHAB CSc1cccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c1 8041272 RQZPGAMYTORHNE-UHFFFAOYSA-N 392.546 3.902 0 40 GHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H](c1ccc(Cl)cc1)C1CC1 8134624 LORIDFQJHZOVGZ-FQEVSTJZSA-N 381.863 3.777 0 40 GHAB CCOc1ccc2cc([C@@H]3CC(c4ccccc4)=NN3C(C)=O)c(=O)[nH]c2c1 4033958 VAUNDSAONDNYBX-NRFANRHFSA-N 375.428 3.624 0 40 GHAB COc1cc(NC(=S)NC(=O)c2ccccc2F)ccc1NC(=O)C(C)C 4122671 CDQQVLUOCQRBEJ-UHFFFAOYSA-N 389.452 3.556 0 40 GHAB COc1cc(CCC(=O)N[C@H]2CCSc3ccccc32)cc(OC)c1OC 5176892 OJDOUOUOOQLORG-INIZCTEOSA-N 387.501 3.998 0 40 GHAB COc1ccccc1/C=C/C=c1\sc2nc(/C=C/c3ccccc3)nn2c1=O 5215310 BKQOIJIMFXJBDR-KMDNPURISA-N 387.464 3.543 0 40 GHAB C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1 6362154 MGDGEASATCBABI-INIZCTEOSA-N 380.469 3.978 0 40 GHAB CCOC(=O)c1cc(C)n(CC(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c1C 14124946 JNHZXJGYMSLCNF-UHFFFAOYSA-N 391.855 3.532 0 40 GHAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1ccc(CN2CCOCC2)cc1 14170915 XJSKMHDAKFHATF-UHFFFAOYSA-N 392.908 3.835 0 40 GHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2nc3ccc(OC)cc3s2)cc1 4525281 BSTZQHQBTNKQKS-BJMVGYQFSA-N 399.497 3.840 0 40 GHAB CCC(CC)c1nnc(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)s1 14680895 GELGPXRUIYRHFH-LBPRGKRZSA-N 388.493 3.584 0 40 GHAB CCc1ccc(-n2c(S[C@@H](C)C(=O)NC3CC3)nc3ccccc3c2=O)cc1 5994505 FAMMJAIEXZGLCW-AWEZNQCLSA-N 393.512 3.707 0 40 GHAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)no1 8706647 QRRNELNSWVUYBY-UHFFFAOYSA-N 385.445 3.653 0 40 GHAB CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cccc(OCc3cccnc3)c2)C1 67209109 GFIROKUUOXTRCK-OAQYLSRUSA-N 387.483 3.794 0 40 GHAB CCCN(Cc1ccc(C)cc1)C(=O)CSc1nnnn1-c1ccccc1 7096130 ALJCAYXWFFCBIT-UHFFFAOYSA-N 381.505 3.502 0 40 GHAB C[C@H](OC(=O)CCc1nc(-c2cccs2)no1)C(=O)NC1CCCCCC1 7316998 FQHHGLPCZGKXRD-ZDUSSCGKSA-N 391.493 3.501 0 40 GHAB O=C(Nc1ccc(Cl)cc1Cl)C1CCN(c2ncnc3[nH]cnc23)CC1 9059771 GYJYCFUOAFMMRH-UHFFFAOYSA-N 391.262 3.515 0 40 GHAB COc1cc(C(=O)N2CCN(c3ccccc3F)CC2)nc2c(C)cc(F)cc12 72328794 GMVDEFJQWBWPLN-UHFFFAOYSA-N 397.425 3.792 0 40 GHAB Cc1nc(CN(C)C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)no1 95467268 WEGFSJSPSDBADS-UHFFFAOYSA-N 375.448 3.950 0 40 GHAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)sc2c1CCCC2 408705593 JFIFRJUNNDWHNL-LLVKDONJSA-N 377.437 3.959 0 40 GHAB CCO[C@H](C)CNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 72344836 VVBWEPCYBSRGAB-GOSISDBHSA-N 382.504 3.629 0 40 GHAB O=C(CSc1ccc(F)cc1)NCCc1nc(C2CC2)cc(C(F)(F)F)n1 77101155 ULWHSFHJZPYEJJ-UHFFFAOYSA-N 399.413 3.963 0 40 GHAB CC(C)[C@H](C)N(CC(F)(F)F)S(=O)(=O)c1cnn(Cc2ccccc2)c1 565923971 XMEXSOUMNFCEQW-AWEZNQCLSA-N 389.443 3.529 0 40 GHAB CCN(Cc1ccc(C(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 224442516 PDTVHFOHTUCSIG-UHFFFAOYSA-N 386.517 3.524 0 40 GHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 44949769 FBCLEWRDHMLWMX-NRFANRHFSA-N 389.455 3.826 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc(-c3ccccc3)cs2)C1 40161721 DNQHWSFQRBFCPX-OAHLLOKOSA-N 390.530 3.704 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1NC(=O)C(C)C 225325422 ZDBUYELSWRAFMB-UHFFFAOYSA-N 378.519 3.828 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 225082970 YPONFCMXTUWKGO-RTBURBONSA-N 396.531 3.878 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)c2)cc1 223954709 SBQMISHGIQTRQK-JXXFODFXSA-N 384.501 3.714 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1F 193397533 FTUOOSCIDXSSDQ-UHFFFAOYSA-N 398.459 3.897 0 40 GHAB CC(C)Cn1c(CCNC(=O)c2cc(=O)[nH]c3ccccc23)nc2ccccc21 96232695 GNGBLOHXCKOZSG-UHFFFAOYSA-N 388.471 3.506 0 40 GHAB Cc1c(NC(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)cnn1-c1ccccc1F 578966201 OBTNSELSYIHVCA-UZLBHIALSA-N 395.438 3.757 0 40 GHAB COC(=O)c1nc(NC(=O)c2cc(-c3cccc(Cl)c3)nn2C)sc1C 95476227 JGDUALAZOPXNQY-UHFFFAOYSA-N 390.852 3.544 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CCC[C@@H](OC)C1 248140422 PLPXYYGEVCSCJQ-POAQFYNOSA-N 397.519 3.639 0 40 GHAB CCOc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 244472257 ZHDMJELTUHCEOG-UHFFFAOYSA-N 382.460 3.585 0 40 GHAB CC(C)CN1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 257339473 ZBWFTCLOOJGCFG-HXUWFJFHSA-N 377.916 3.724 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 257200263 ACPWIYXVGBBQKR-UHFFFAOYSA-N 391.450 3.703 0 40 GHAB CCn1c(C)nc2cc(C(=O)N(CC(=O)O)Cc3ccccc3Cl)ccc21 257308829 TYHGQNQGSBQXJA-UHFFFAOYSA-N 385.851 3.745 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@](C)(OC)c1cccc(Cl)c1 96392912 HYTUTJOQPMVFRB-IBGZPJMESA-N 397.924 3.806 0 40 GHAB Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccn2)c2ccccc21 575443975 HIHSLEUTZMGUBD-QGZVFWFLSA-N 394.475 3.648 0 40 GHAB Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cc4ccccc4[nH]2)C3)cs1 575402880 DDVXFNBHIPQKPQ-KRWDZBQOSA-N 397.500 3.523 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3ccccc3Cl)C2)CN1c1ccc(F)cc1 1615124558 WTEIAIBIPQRYBW-OAQYLSRUSA-N 388.870 3.877 0 40 GHAB COc1ccc(NC(=O)CN(C)C(=O)Cc2c(Cl)cccc2Cl)cc1 5511102 UTVIAEUHFCQFHX-UHFFFAOYSA-N 381.259 3.642 0 40 GHAB CCOc1ccc(CC(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)cc1 12254311 HTVQRNHARURCBF-HXUWFJFHSA-N 388.471 3.674 0 40 GHAB Cc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)CNC(=O)c1ccco1 13568828 MVWGWESVWPCWTJ-UHFFFAOYSA-N 388.427 3.580 0 40 GHAB O=C([C@H]1CN(C(=O)/C=C/c2ccsc2)c2ccccc2O1)N1CCCCC1 14168261 ATTIBZRYMNMQFS-CSHXORCISA-N 382.485 3.568 0 40 GHAB Cc1cc(C)cc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 14396580 QPVZCJQLCXURGI-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)[C@H]1CC=CCC1 19343980 RCABPAKGJIBSQL-HNNXBMFYSA-N 379.489 3.541 0 40 GHAB NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CC2CCCC2)C1 19348404 KJRPPHFOGGPYDU-DEOSSOPVSA-N 391.515 3.575 0 40 GHAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2)c1 19564290 ILRVDEGUDZTZCX-HXUWFJFHSA-N 376.460 3.777 0 40 GHAB Cc1cc(NC(=O)COc2ccccc2C(C)(C)C)n(Cc2cccnc2)n1 19574553 GEUNFALCQZYPNC-UHFFFAOYSA-N 378.476 3.950 0 40 GHAB Cc1ccc2c(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)c(C)ccc2n1 19654935 DJLPRQWLYIYQGP-UHFFFAOYSA-N 386.448 3.793 0 40 GHAB CC(C)NC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)C1CCC1 19696430 WQBRQZDTWUEADA-QHCPKHFHSA-N 395.503 3.570 0 40 GHAB Cc1cc(N2CCC[C@H]2c2cc(CN(C)C)n(C)n2)nc(-c2ccccc2)n1 19709083 DXOSOBRXOLIUFE-FQEVSTJZSA-N 376.508 3.589 0 40 GHAB COc1cc(CN2CCN(Cc3ccc4ccccc4c3)CC2)cc(OC)c1O 19831716 MWGWQKHDRAOLHR-UHFFFAOYSA-N 392.499 3.880 0 40 GHAB Cc1ncc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)n1 19937090 VYFWMNAMGDPQAN-UHFFFAOYSA-N 386.499 3.641 0 40 GHAB O=C(CCCn1cncn1)N1CCCCCCCc2ccccc2OCCC1 643583828 CENCDLBRVHZNII-UHFFFAOYSA-N 384.524 3.863 0 40 GHAB Cn1cnc2cc(C(=O)N[C@H](CCN3CCCCC3)c3ccccc3)ccc21 19718648 MKMLBJXDHMPKOW-HXUWFJFHSA-N 376.504 3.920 0 40 GHAB COc1ccc(CCC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1 257316777 VGYUHDNCHVUIEE-DNVFCKCGSA-N 381.520 3.645 0 40 GHAB O=C(CCc1ccccc1)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 6608547 QKCPGVYTQHASFG-UHFFFAOYSA-N 398.528 3.671 0 40 GHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1nc(-c2cccs2)no1 7048015 ARCCCMDZHFDTTI-UHFFFAOYSA-N 377.447 3.792 0 40 GHAB CO[C@H]1CCN(C2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)C1 1565523303 LFYPZDCHLJEMOI-QFIPXVFZSA-N 393.531 3.671 0 40 GHAB Cc1ccc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1 4164528 ZWDCVQQSYNNXKJ-UHFFFAOYSA-N 393.447 3.970 0 40 GHAB Cc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)c(C)c1 5252867 PUDVDXBBPRYTLW-UHFFFAOYSA-N 391.471 3.570 0 40 GHAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(F)cc(F)cc3s2)no1 9206880 AELONMCBJYOHJU-NSHDSACASA-N 379.388 3.697 0 40 GHAB Cc1ccc(C(=O)N2CCC(Nc3ccccc3)(C(=O)NC(C)C)CC2)s1 2055754575 BUPPZNFVFWTENE-UHFFFAOYSA-N 385.533 3.668 0 40 GHAB CO[C@H](CNC(=O)COc1cccc2c1OC(C)(C)C2)c1ccc(Cl)s1 225703337 ZTACHIHVSWPGOP-CQSZACIVSA-N 395.908 3.998 0 40 GHAB O=C([C@H]1CCCN(c2nc(C(F)(F)F)cs2)C1)N1CCC(F)(F)CC1 2298188679 ZQERSVKIOCWLLM-JTQLQIEISA-N 383.386 3.636 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(NC(=O)C2CC2)c1 40059978 SDWSDTVGYMJNPL-NRFANRHFSA-N 389.455 3.938 0 40 GHAB COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCC[C@@H](C)C3)n12 928508 OVZDFSFAQDYGAL-CYBMUJFWSA-N 384.505 3.550 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1C 1328546 AIQNANVUCYNVIE-UHFFFAOYSA-N 395.532 3.907 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(C)c2)c1 1343068 AYEZGOXULUJQAH-GOSISDBHSA-N 383.448 3.647 0 40 GHAB O=S(=O)(c1cccc(F)c1)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 1364223 YQXTUSSUCVCWAC-GFCCVEGCSA-N 393.465 3.506 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cnc(C)cn2)c2ccccc2)c1 3467172 MWSRPUVZIVQLSZ-FQEVSTJZSA-N 375.428 3.939 0 40 GHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 4750259 FUQQTGSXKIQLGT-OWSLCNJRSA-N 385.803 3.725 0 40 GHAB O=C(CN1CCC(n2cnc3cc(F)ccc32)CC1)Nc1ccc2c(c1)CCC2 4858259 UATYWEYDJZVDQR-UHFFFAOYSA-N 392.478 3.940 0 40 GHAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C(=S)Nc1ccc(Cl)cc1)C1CC1 4888337 IKJAYLHYGBDHES-ALOPSCKCSA-N 377.941 3.949 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)c(OC)c1 20734873 ATVVDPJJCZHPOR-QGZVFWFLSA-N 392.415 3.739 0 40 GHAB CCCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 6596826 RISYBHFEOSVTFQ-UHFFFAOYSA-N 380.554 3.625 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680483 DVADGLXVCYDSMU-UHFFFAOYSA-N 384.910 3.828 0 40 GHAB Cc1cc(C)c(NC(=O)CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 7305702 MNXTVIXFBQKWFY-UHFFFAOYSA-N 388.533 3.826 0 40 GHAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Oc1ccccc1Cc1ccccc1 102116047 ZJJOWNWGAXJHNC-BGYRXZFFSA-N 391.467 3.748 0 40 GHAB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)Nc1ccc2c(c1)OCO2 10157579 GEOQPJICHQYOES-UHFFFAOYSA-N 389.371 3.651 0 40 GHAB CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1nc(Cl)ccc1Cl 11713764 OIHHMIMCLZTVMK-UHFFFAOYSA-N 393.679 3.919 0 40 GHAB Cc1cc(C)cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)c1 8417162 MIWFABCZBDHPBU-UHFFFAOYSA-N 386.423 3.733 0 40 GHAB Cc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)c2c1 8570165 LQZPQELOMSFSDW-IBGZPJMESA-N 381.863 3.594 0 40 GHAB Nc1c(Br)cc(NC(=O)Cc2ccccc2)cc1Br 8702100 BRKDZBYGRYGXOX-UHFFFAOYSA-N 384.071 3.975 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccccc2C(F)(F)F)c1 51354219 ZKIMNRKZLZSWRR-UHFFFAOYSA-N 396.321 3.923 0 40 GHAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)N1CCc2ccccc2C1 2621056 DPOSSMHMCGYZFM-UHFFFAOYSA-N 388.254 3.900 0 40 GHAB CCOC(=O)c1ccc(N[C@](NC(=O)OC)(c2ccccc2)C(F)(F)F)o1 2654113 AAZVZCSKHNGOIT-INIZCTEOSA-N 386.326 3.640 0 40 GHAB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1C 102955140 ZLRKOXGHYJOIQM-ZOBUZTSGSA-N 388.537 3.742 0 40 GHAB COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cn1 22019452 GQKYDWZCYSHGJI-UHFFFAOYSA-N 378.363 3.993 0 40 GHAB COc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCC[C@@H](C)C2)cc1 20098528 CBHBBKLIELWRQS-DNVCBOLYSA-N 383.521 3.613 0 40 GHAB Cn1ccnc1CN1CCC(C(=O)N[C@H](c2cccs2)C2CCCC2)CC1 53108551 JMFVLFAZGYZVJA-FQEVSTJZSA-N 386.565 3.741 0 40 GHAB Cc1ccc(-c2nnc(S)n2CC(=O)NC2(c3ccccc3)CCC2)cc1 41843937 ZSHNFQAWYIGNTC-UHFFFAOYSA-N 378.501 3.738 0 40 GHAB Cc1ccc(-c2nn(CN3CCN(Cc4ccsc4)CC3)c(=S)[nH]2)cc1 22778042 ZKQRBJRFWCXWGL-UHFFFAOYSA-N 385.562 3.753 0 40 GHAB COc1cc(OC)c(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1Cl 22898007 QWUCLHIJZPJPLP-UHFFFAOYSA-N 388.851 3.732 0 40 GHAB Cc1ccc(-n2c(C)nnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 6975608 HJMKHAYJJZSRPZ-LJQANCHMSA-N 378.501 3.996 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104201260 OQOJCBLAOBSUOK-KCMWZYNZSA-N 382.460 3.748 0 40 GHAB CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc1 940466 LLKNAPOHWXAKBW-HXUWFJFHSA-N 389.459 3.777 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1Br 23863461 SKMJNISPTPIHGF-JTQLQIEISA-N 388.258 3.636 0 40 GHAB S=C(NCCc1ccccc1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423251 VDNMALJFIDGEGE-FGZHOGPDSA-N 379.573 3.889 0 40 GHAB COc1ccccc1CN(C)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 105323961 RNEGQLULBFRSKS-QGZVFWFLSA-N 390.892 3.810 0 40 GHAB COc1ccc2cc(C(=O)NCCC(=O)Nc3nc4ccccc4s3)[nH]c2c1 12390289 CVAIMNGTCGNZHZ-UHFFFAOYSA-N 394.456 3.545 0 40 GHAB Nc1cccc(Cl)c1N1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 57332236 SNOUWAJZMNCHHL-RMKNXTFCSA-N 376.287 3.938 0 40 GHAB Cc1ccccc1CN1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 24084388 UMLYYBNCJLHZED-UHFFFAOYSA-N 375.472 3.916 0 40 GHAB CCOc1cc2c(cc1CNC(=O)CCC(=O)c1ccc(F)cc1)O[C@H](C)C2 8270007 KHODCBIHJWHOBE-CQSZACIVSA-N 385.435 3.827 0 40 GHAB Clc1ccccc1CN1CCO[C@H](CSc2nnc(NC3CC3)s2)C1 24601891 LOSOGFFWHVOCPV-AWEZNQCLSA-N 396.969 3.759 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606399 DYSIGWNUNLCHOX-MRXNPFEDSA-N 392.546 3.658 0 40 GHAB Cc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)c2ccc(C)c(C)c2)c(=O)[nH]1 24828679 NJMVNHGJNXUCQO-QHCPKHFHSA-N 389.499 3.842 0 40 GHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc2c(c1)OCO2 8237096 ARTJOEOZZOWZOX-UHFFFAOYSA-N 376.416 3.653 0 40 GHAB CNC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCCC[C@H]1C 34878919 SONRTKQEEMOWOJ-JKIFEVAISA-N 388.537 3.932 0 40 GHAB CC[C@H](C)[C@@H](CC(=O)OC(C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 26522422 RCEHOHBPJZEWPH-CGTJXYLNSA-N 389.492 3.971 0 40 GHAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(C[C@@H](C)O)CO3 57143268 HCVAOHUIVMHKPO-CQSZACIVSA-N 379.456 3.533 0 40 GHAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cncn1-c1ccc(F)cc1 12556464 FRCHTUKXZAPLAC-UHFFFAOYSA-N 393.340 3.883 0 40 GHAB COc1ccc(NS(=O)(=O)c2c(Cl)nc3sccn23)cc1Cl 58297967 XJXVTUWFBQRDJC-UHFFFAOYSA-N 378.262 3.512 0 40 GHAB CC(=O)N[C@](C)(C(=O)Nc1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 58306645 RWHKMVLPPZSLBS-KRWDZBQOSA-N 386.320 3.974 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(I)c(C)n2)cc1C 12651652 CPKMOCIKIOEQLN-UHFFFAOYSA-N 396.228 3.629 0 40 GHAB COc1ccc(/C=C(\NC(=O)c2ccccc2OC)C(=O)OCC(C)C)cc1 2248159 AOPVHVAAZQBQBL-UYRXBGFRSA-N 383.444 3.674 0 40 GHAB CN1CCN(CCCNC(=O)c2cc3ccccc3o2)[C@H](c2ccccc2)C1 36389852 NXPGIFTXGOATOS-FQEVSTJZSA-N 377.488 3.541 0 40 GHAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CCOc1ccc(Cl)cc1Cl 3301580 RUTFAEPNLDQTGE-LJQANCHMSA-N 391.254 3.766 0 40 GHAB COc1ccc(CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cn1 10991421 PBPJXQWDJJVRDE-UHFFFAOYSA-N 375.787 3.776 0 40 GHAB Cc1ccc(CNC(=O)NCC(=O)Nc2ccc(C)cc2Br)cc1 12755846 ACTRVDYQPOKIHU-UHFFFAOYSA-N 390.281 3.504 0 40 GHAB COc1ccc(Cc2nnc(SCc3noc(-c4ccccc4O)n3)o2)cc1 48302486 LSBPYIDSXFCXDJ-UHFFFAOYSA-N 396.428 3.717 0 40 GHAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC(C(=O)NCc2ccccc2)CC1 12800634 ZJVIZTCUNMPFNQ-INIZCTEOSA-N 399.922 3.695 0 40 GHAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc(C)c(Cl)c3)c(C)n2n1 7061549 ZWUARHWSHNGHEA-UHFFFAOYSA-N 389.912 3.996 0 40 GHAB COc1ccc(S(=O)(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cc1 12857105 KULYQXWZGRGZEK-UHFFFAOYSA-N 386.498 3.879 0 40 GHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)NCc1ccc(F)cc1 12999438 YNFAFHZHJKVLBE-UHFFFAOYSA-N 398.265 3.590 0 40 GHAB CCn1nc(C)c(CN(C)C(=O)c2ccc(COc3ccccc3OC)o2)c1C 28237031 NURYWFBFICJQAK-UHFFFAOYSA-N 397.475 3.973 0 40 GHAB Cc1cccc(C)c1NC(=O)Cn1nnc(C(=O)Nc2c(C)cccc2C)c1C 67323630 RCTXSHWDNUKPNO-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB CCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccc(Br)o1 13123030 NKHAHCSUPBMSGV-UYQSWCAZSA-N 389.249 3.505 0 40 GHAB CC1(C)CN=C(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)NC1 13102503 LBJXSEBQMGOVEG-UHFFFAOYSA-N 384.530 3.870 0 40 GHAB Cc1ccc(CNC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 4105819 XHFIBFTWKHVMCF-UHFFFAOYSA-N 383.451 3.688 0 40 GHAB Nc1cc(Cl)ccc1C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 6060135 CTRPJVDBNDYNMK-UHFFFAOYSA-N 386.879 3.560 0 40 GHAB CCOC(=O)c1c(NC(=O)CNc2ccc(F)cc2)sc(C(C)=O)c1C 7971701 IOAZTDSAQIDVAN-UHFFFAOYSA-N 378.425 3.626 0 40 GHAB COc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)n2)cc1 7400634 AJXVHUNUIQTRKH-KRWDZBQOSA-N 380.425 3.539 0 40 GHAB Cc1ccc(N2C(=O)N(c3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)cc1C 4393482 BVEMVJDBQMLNOC-MSOLQXFVSA-N 390.892 3.569 0 40 GHAB O=C(NCc1cccnc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 113952140 NPPCEEXINPFJTK-UHFFFAOYSA-N 378.303 3.917 0 40 GHAB CCOC(=O)Cn1c([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 7543882 ZGDCNMAJOMEIES-KRWDZBQOSA-N 391.471 3.737 0 40 GHAB CSCC[C@H](NC(=O)Cc1c(F)cccc1Cl)c1nnc2ccccn12 14185653 AKVIRSVILAMGPM-HNNXBMFYSA-N 392.887 3.675 0 40 GHAB CC[C@H]1CCc2c(sc(NC(=O)CCc3ccc(OC)cc3)c2C(N)=O)C1 5476924 LXBVAARHQCMNAH-ZDUSSCGKSA-N 386.517 3.942 0 40 GHAB CCC(=O)N(c1nnc(SCC(=O)Nc2ccccc2Cl)s1)C1CC1 7672879 YBGFVVLZNCMNMN-UHFFFAOYSA-N 396.925 3.828 0 40 GHAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1nc(-c2ccc3ccccc3c2)cs1 4749908 GOINZHPTZYWDOQ-ZDUSSCGKSA-N 386.498 3.727 0 40 GHAB COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(SC)cc1 6752829 LNJBXEMPNJHEPB-HXUWFJFHSA-N 395.484 3.696 0 40 GHAB O=C1C[C@@H](c2ccccc2C(F)(F)F)c2c(nc(-c3ccccc3)[nH]c2=O)N1 17044743 HOCSAKZZSUDYQV-ZDUSSCGKSA-N 385.345 3.930 0 40 GHAB Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1cc2c(s1)CCC2 18468058 GFOCSMZRXFQZGH-UHFFFAOYSA-N 384.501 3.941 0 40 GHAB Cc1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)on1 84124155 OLJNUEUTBCFZDF-AWEZNQCLSA-N 382.247 3.923 0 40 GHAB CC(C)(C)OC(=O)N[C@H](CNC(=O)COc1ccc(F)cc1)c1ccccc1 72297665 NZWVABKYJZRVQI-GOSISDBHSA-N 388.439 3.587 0 40 GHAB Cc1cc(CN(C)C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)no1 25138581 VWSKQXJDGMJQPU-UHFFFAOYSA-N 375.432 3.512 0 40 GHAB C[S@](=O)Cc1cccc(C(=O)Oc2ccccc2OCc2cscn2)c1 97164818 BAWRRAYJPHGVPI-AREMUKBSSA-N 387.482 3.820 0 40 GHAB Clc1cnc(N2CCN(CCc3ccc4c(c3)CCO4)CC2)c(Cl)c1 72304862 RGDGDLVSARHKMS-UHFFFAOYSA-N 378.303 3.688 0 40 GHAB C[C@@H](Cc1nc2ccccc2s1)NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 84641016 COENOCOUONXPRJ-ZFWWWQNUSA-N 399.541 3.710 0 40 GHAB CC(C)COc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1 408708134 HAIPGOSKBWCKOV-UHFFFAOYSA-N 379.460 3.500 0 40 GHAB COc1ccc(C(=O)Nc2c[nH]nc2[C@@H]2CCCN(C(=O)CCC3CC3)C2)cc1 95998767 LCWCCLCRMVHMJN-QGZVFWFLSA-N 396.491 3.567 0 40 GHAB CC(C)c1nnc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)s1 79016082 FUQSIBOVWLLVCV-UHFFFAOYSA-N 384.509 3.795 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1cccs1 306133570 MPWQADSKGGGCPP-VQTJNVASSA-N 381.476 3.770 0 40 GHAB CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3cccs3)CC2)C1 306126130 DNTVUUJRYICHBY-UHFFFAOYSA-N 397.523 3.582 0 40 GHAB CCOC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1 408585098 CNUWLEJSKUNJGH-OAHLLOKOSA-N 376.478 3.555 0 40 GHAB COc1ccccc1OCC(=O)NCc1ccccc1CN1CCCC[C@@H]1C 36392051 XTZWYRBNZYDXRP-SFHVURJKSA-N 382.504 3.765 0 40 GHAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(S(C)(=O)=O)cc1 219311178 ZMESPNFPCUSXMV-LPHOPBHVSA-N 389.517 3.742 0 40 GHAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2Cl)c1C 71327373 HSJQNNIOWFXIHR-UHFFFAOYSA-N 397.866 3.693 0 40 GHAB COc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 225139375 LHLVSNIMLYGUJN-LBPRGKRZSA-N 385.445 3.628 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)ccc1C 223896704 AHKUKGWGXSVJMM-UHFFFAOYSA-N 389.517 3.900 0 40 GHAB Cc1cccc(CN(C(=O)COc2ccc(C)cc2C)[C@@H](C)C(=O)NC(C)C)c1 225514753 CQGFSFZMKLJXEZ-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)COc1ccccc1 224672174 IOTGZRAWPFSZEH-KRWDZBQOSA-N 398.478 3.681 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C 224134002 QEGWUTXXRBLFNJ-FQEVSTJZSA-N 382.504 3.626 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225973467 HISDDTNSYHVBSH-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB COC(=O)c1ccc(C(=O)N2CCC(Oc3nc4ccccc4s3)CC2)cc1 49430735 VFKDTQZIHYPOOM-UHFFFAOYSA-N 396.468 3.767 0 40 GHAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1 95471008 ZRSLZUFBHDPNOS-QGZVFWFLSA-N 394.496 3.907 0 40 GHAB O=C(COc1ccccc1F)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200149 WGPHHWOSMLSOLI-IAGOWNOFSA-N 386.423 3.881 0 40 GHAB Cn1c(=O)oc2cc(CN[C@H](c3cncc(Br)c3)C3CC3)ccc21 513634051 VEBIBQVAGYVKBJ-KRWDZBQOSA-N 388.265 3.530 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NC(C)C 95471320 ZJWKDEMRLJPISO-RDTXWAMCSA-N 398.532 3.756 0 40 GHAB COc1ccc(C(=O)N2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)cc1 96113172 LYIUILYGUJTPCY-GOSISDBHSA-N 395.377 3.634 0 40 GHAB biogenic,in-vitro CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc(F)c(Cl)c1 243363869 MBYIXAIACNDNJD-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB CCc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 242699363 CYNILPLALCGKEH-UHFFFAOYSA-N 380.897 3.616 0 40 GHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4F)OCC[C@@]31C2 257290163 QBVJRXBVYFQXFO-BFDYTVALSA-N 393.474 4.000 0 40 GHAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 257244489 ILOCGIAKPIEIFF-SFHVURJKSA-N 395.478 3.525 0 40 GHAB CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 585082695 KEXYIONVOWEUDK-MLGOLLRUSA-N 381.398 3.610 0 40 GHAB CCN(Cc1ccccc1NC(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21)C(C)=O 665534303 OUZBPZPGKYHDRG-SESVDKBCSA-N 381.451 3.654 0 40 GHAB Cc1cccc(N2CCN(Cc3nc(-c4cccc(F)c4F)oc3C)CC2)n1 11704443 LCMBVPSKWYACEX-UHFFFAOYSA-N 384.430 3.954 0 40 GHAB O=C(Cc1ccsc1)N1CCC[C@H](Cn2nc(-c3cccs3)ccc2=O)C1 12145203 VVLNDKUITGHUDE-INIZCTEOSA-N 399.541 3.515 0 40 GHAB COc1ccccc1C1(O)CCN(CC2CCN(Cc3ccccc3)CC2)CC1 12293079 XPYAIPMTUKVJBN-UHFFFAOYSA-N 394.559 3.891 0 40 GHAB O=C(Cc1cccc(Cl)c1)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1 12327534 AFVQPIGHSSMTRZ-OAHLLOKOSA-N 382.851 3.734 0 40 GHAB COc1cc(C(=O)OCC(=O)NCCCc2ccccc2)ccc1OCC(C)C 12790390 MTGLOVJUGZMEBP-UHFFFAOYSA-N 399.487 3.636 0 40 GHAB Cc1cc(C)cc(NC(=O)CCn2cnc3c([nH]c4ccc(F)cc43)c2=O)c1 14001164 FKHKCUZGOBARFH-UHFFFAOYSA-N 378.407 3.663 0 40 GHAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccccc1 14184915 UMXFMCYNCAKJIF-SFTDATJTSA-N 383.451 3.991 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)CNc2ccccc2N2CCCCC2)c1 15337143 HZABRTIFHZTKEG-UHFFFAOYSA-N 381.476 3.823 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)OCc3ccc(Br)cc3)CC2=O)cc1 16292905 VAUDGVYTOAOJEL-OAHLLOKOSA-N 388.261 3.854 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1Cc1ccccc1 18061883 XPZOBDOJUUSDIU-AQNXPRMDSA-N 390.464 3.795 0 40 GHAB C[C@H](NC(=O)CCCc1nc(-c2ccccn2)no1)c1nc2ccccc2s1 19459841 HSEFXCKPAWNUST-ZDUSSCGKSA-N 393.472 3.941 0 40 GHAB CCC(=O)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 19498665 JKYAEWLISCVIGE-DEOSSOPVSA-N 393.531 3.835 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Cn2nc(C)c(C)c2C)c(OC)c1 19556777 MQJCPKMGAKOSMV-JLTOFOAXSA-N 385.508 3.825 0 40 GHAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2c[nH]nc2-c2ccccc2)cc1 19662960 JGNZYSIETYJGCI-JOCHJYFZSA-N 399.454 3.596 0 40 GHAB CCc1nnc2n1C[C@@H](c1ccc(NS(=O)(=O)c3ccc(C)cc3)cc1)CC2 19699016 IBMZWHSDJZIMMF-KRWDZBQOSA-N 396.516 3.680 0 40 GHAB C#CCOc1ccc2ccccc2c1/C=C(\Sc1nnc(CC)[nH]1)C(=O)O 7342592 YPHJMNYOCUWSAQ-ATVHPVEESA-N 379.441 3.750 0 40 GHAB NC(=O)[C@@]1(c2ccccn2)CCCN1Cc1cccc(OCc2ccccc2)c1 618016910 INCFLBPEPPMFOF-DEOSSOPVSA-N 387.483 3.637 0 40 GHAB COCCOc1ccc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1OC 12222528 RDIJSRRDRVOPNL-LJQANCHMSA-N 381.476 3.934 0 40 GHAB CC(C)(C)c1cc(N2CCN(c3nc(C4CC4)ns3)CC2)nc(C2CC2)n1 1888860405 YCWQCKUVIFLECX-UHFFFAOYSA-N 384.553 3.707 0 40 GHAB Cc1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c(Br)c1 21352842 VDHWWSQWUSQAFW-UHFFFAOYSA-N 387.233 3.663 0 40 GHAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1n[nH]c(=O)c2ccccc12 30392310 LTVYLTLBECOPRV-UHFFFAOYSA-N 389.386 3.894 0 40 GHAB CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccccc3)N2C1=O 2964645 REIIPDUTYAYIOY-SFHVURJKSA-N 377.469 3.917 0 40 GHAB COc1ccc(OC)c(-c2ncc(NC(=O)[C@@H]3COc4ccccc4O3)s2)c1 4088566 KSMJNHIRXFIPOD-KRWDZBQOSA-N 398.440 3.606 0 40 GHAB COc1ccc(CC(=O)N2CCN=C2SCc2ccc(C)cc2)cc1OC 4120403 UXUURVJHYPUNMG-UHFFFAOYSA-N 384.501 3.686 0 40 GHAB CCOC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(OC)c(OC)c1 4162645 DIDKODGALCWNLE-UHFFFAOYSA-N 383.400 3.808 0 40 GHAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)c4ccc(Cl)cc4)cnc32)c1C 4479239 QIVHSQFVTSYDTN-UHFFFAOYSA-N 392.846 3.735 0 40 GHAB CCCN1C(=O)CCc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 9107037 HOGQQXVPWWZALY-UHFFFAOYSA-N 398.459 3.654 0 40 GHAB O=C(NCc1cccnc1N1CCOCC1)Nc1cc(Cl)cc(Cl)c1 40096679 OFZUFNYZBYQEEK-UHFFFAOYSA-N 381.263 3.547 0 40 GHAB O=C(Nc1cccc(CN2CCOC2=O)c1)c1ccccc1Br 40118894 ZIAQTDDOLSIAPT-UHFFFAOYSA-N 375.222 3.654 0 40 GHAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(OC)cc2)sc2c1CCCC2 887489 NVFJWYQAYDVNTH-UHFFFAOYSA-N 395.502 3.613 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C[C@H]2CCCO2)cc1C 1364623 JUNQCKDUITUMFJ-QGZVFWFLSA-N 386.521 3.682 0 40 GHAB Cc1cccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@H]3c2ccc(F)cc2)c1 101298375 IHJSUKYECZRHSA-SFHVURJKSA-N 392.390 3.566 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4836954 IVCLPPATURSDDN-SLDRDFCHSA-N 392.842 3.904 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccoc1C 4860523 OSWGVYGLANQLGT-UHFFFAOYSA-N 386.477 3.996 0 40 GHAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)NCc1ccccc1 4987696 YQEAHODIUUYUKM-UHFFFAOYSA-N 389.864 3.711 0 40 GHAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(N4CCCC4)c(F)c3)C2=O)c1 6967234 FSUJJKKKBLUHOE-CPNJWEJPSA-N 379.435 3.827 0 40 GHAB COc1cccc(CC(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1 7406651 ZMPYIHCAZFRLPU-UHFFFAOYSA-N 381.457 3.958 0 40 GHAB Cc1nc(-c2cc3ccc(OCC(=O)N4CCCCC4)cc3oc2=O)cs1 20744710 ZPSUIUQLUFONTH-UHFFFAOYSA-N 384.457 3.616 0 40 GHAB COC[C@@H](C)n1c(C)cc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1C 11531309 COFKKIKEWXOFRC-CYBMUJFWSA-N 387.871 3.502 0 40 GHAB COc1ccc(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)cc1Cl 45942802 HUHACZNWILXCFS-UHFFFAOYSA-N 399.859 3.912 0 40 GHAB Cc1ccc(C)c(OC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1C 21336803 JPKDDCUWLCNOSJ-XMHCIUCPSA-N 386.492 3.654 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(-n2cccc2)c1 8132079 DZMGHVGWAUPNLQ-UHFFFAOYSA-N 395.484 3.514 0 40 GHAB COCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(C)cc2C)n1 8476465 CIOKUNBRQABFIU-UHFFFAOYSA-N 384.867 3.581 0 40 GHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCSc1ccc(Cl)cc1 10360575 LTUGJQILWZRWRK-UHFFFAOYSA-N 398.937 3.542 0 40 GHAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)c2cccc(C[S@@](C)=O)c2)C1 60475113 RJAFZNCCZCFMOB-WRHNGFHOSA-N 398.572 3.727 0 40 GHAB Cc1cc(C)cc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@@H]3c2cccs2)c1 102820915 QWAVXRGHGOTGSA-MRXNPFEDSA-N 394.456 3.797 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)o1 9905890 UHUXUQMBTISQBJ-IVXVGSNXSA-N 379.460 3.754 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1C 107548902 SQHAHXATHDRAPT-CQSZACIVSA-N 380.897 3.750 0 40 GHAB Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)oc2c1C 15859909 BVMYKYAQOOUFDS-KRWDZBQOSA-N 380.444 3.570 0 40 GHAB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccs1 807625 HBNQGNRHHYSKLU-UHFFFAOYSA-N 381.457 3.556 0 40 GHAB COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc(OC)c1OC 27990318 IRVMZUSJNOSKFO-IBGZPJMESA-N 398.503 3.588 0 40 GHAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc2ccccc2oc1=O 22968392 ZSMHXLKIGVVYBX-UHFFFAOYSA-N 396.874 3.841 0 40 GHAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(-c3nc4ccccc4[nH]3)cc1)CS2 23680307 OKMMKRAUOPKPLG-UTKZUKDTSA-N 392.484 3.622 0 40 GHAB O=c1c2ccccc2nnn1CN1CCCC[C@H]1c1nc2ccccc2s1 23856093 RWPDXLXJPKZOQA-KRWDZBQOSA-N 377.473 3.586 0 40 GHAB O=C(NCc1cccnc1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27971987 DYDZMZDMOXQSBC-UHFFFAOYSA-N 384.439 3.912 0 40 GHAB CCc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 24367653 MBVMMOXBBXBQBK-CQSZACIVSA-N 398.937 3.756 0 40 GHAB COc1ccc(-c2nnc(SCc3nnc(-c4ccco4)o3)o2)c(OC)c1 9604946 MKFAATFYBDQJCV-UHFFFAOYSA-N 386.389 3.689 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c(C)c1 25055407 DYYHNLCQTPWVAL-INIZCTEOSA-N 392.546 3.713 0 40 GHAB CSc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)N1CCC(C)CC1 26119054 PCMZHFBRJMDLAE-UHFFFAOYSA-N 398.594 3.605 0 40 GHAB Cn1c(SCC(=O)N2CCc3sccc3C2)nc2cc(Cl)ccc21 44049734 BIRSIPZPNSSENR-UHFFFAOYSA-N 377.922 3.965 0 40 GHAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)NCc1ccccc1)n2CC 12591449 BUSRCSZPCMPAHH-UHFFFAOYSA-N 397.500 3.641 0 40 GHAB O=C(NCc1cc(-c2ccccc2)no1)C1(c2cccc(F)c2)CCOCC1 57212199 UZAMILSKGLLBKG-UHFFFAOYSA-N 380.419 3.845 0 40 GHAB O=C(NCc1ccc(OCc2ccccc2)cc1)[C@H]1COc2ccccc2O1 44442479 FERIOXDPHVAELH-JOCHJYFZSA-N 375.424 3.722 0 40 GHAB C[C@H](OC(=O)c1csc(-c2ccccn2)n1)C(=O)N[C@@H](C)c1ccccc1 58191563 XLRCGXQJJGXYCW-KBPBESRZSA-N 381.457 3.628 0 40 GHAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc3ccccc13)C2=O 3325282 SZMOVPNQMDBFHP-UHFFFAOYSA-N 379.460 3.669 0 40 GHAB CCc1ccc2c(COC(=O)c3ccc(OC)c(OC)c3OC)cc(=O)oc2c1 3323469 GQIDCXQZTHOTRY-UHFFFAOYSA-N 398.411 3.738 0 40 GHAB CSc1ccccc1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12746559 UUERUFVIHOOHOT-UHFFFAOYSA-N 397.496 3.915 0 40 GHAB O=C1CSc2ccc(C(=O)Nc3ccc(OCC(F)(F)F)cc3)cc2N1 10979181 NGHLFHVLVZJJEU-UHFFFAOYSA-N 382.363 3.924 0 40 GHAB COc1ccccc1-c1n[nH]c(NC(=O)Cc2csc(-c3ccccc3)n2)n1 48361720 JJVAVCBZASTANT-UHFFFAOYSA-N 391.456 3.785 0 40 GHAB O=C(C[C@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc(Cl)s1 3450632 FQWWKCCJUPJILX-CYBMUJFWSA-N 381.862 3.631 0 40 GHAB CCOCc1c(C(=O)OCC(=O)NCc2ccc(F)cc2)oc2ccccc12 3544403 AAMGMNBBZYBWSW-UHFFFAOYSA-N 385.391 3.582 0 40 GHAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 13137104 MFBVXLRQSWEUDO-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(C(F)(F)F)c1 6083320 ZIXFOPWYCWJZCD-LLVKDONJSA-N 395.333 3.661 0 40 GHAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 6083251 VICSRXHVTYETAJ-UHFFFAOYSA-N 382.441 3.639 0 40 GHAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCc3ccccn3)c12 5244530 DSYLGIADTBXOGY-OAHLLOKOSA-N 380.444 3.533 0 40 GHAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(COc2ccccc2)cc1 4463372 CKZAYKUUENWHGF-UHFFFAOYSA-N 392.436 3.692 0 40 GHAB COc1ccccc1NC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O 5399704 NRPJXVDTQLFNAL-UHFFFAOYSA-N 385.423 3.711 0 40 GHAB COc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1OC 4554003 ODGKVMXEGINKNX-SFHVURJKSA-N 387.505 3.961 0 40 GHAB O=c1c(I)c(O)cc(-c2ccccc2)n1-c1ccccc1 5450654 RIFRAUZVVLOCER-UHFFFAOYSA-N 389.192 3.815 0 40 GHAB c1cncc(-c2ccc3nc([C@H]4CCN(Cc5ccc6c(c5)OCO6)C4)nn3c2)c1 306132529 LLOJLWBKFIZQTI-IBGZPJMESA-N 399.454 3.510 0 40 GHAB C[C@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)c1ccccc1 6929355 MYAZHOWSCFBUQH-INIZCTEOSA-N 398.418 3.814 0 40 GHAB CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 17334508 UNWYGJWQCPQFQS-UHFFFAOYSA-N 380.469 3.760 0 40 GHAB Cc1cc(C)cc(N2C(=O)N(Cc3cc(C)ccc3C)[C@H]3CS(=O)(=O)C[C@H]32)c1 7005793 ARMVPEUROMOTIZ-LEWJYISDSA-N 398.528 3.528 0 40 GHAB CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccnn1C(C)C 9629110 LMBOENFNJFOBHJ-OAHLLOKOSA-N 398.536 3.786 0 40 GHAB COc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4o3)n2)cc1 9096618 WJDMHEDCMFGQDI-UHFFFAOYSA-N 380.433 3.640 0 40 GHAB CCc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccccc4)s3)CC2=O)cc1 9197930 BXJYHOUFKFBJOH-MRXNPFEDSA-N 392.484 3.873 0 40 GHAB COc1ccccc1[C@H]1N=C(Nc2ccccc2Cl)Nc2nc(C)cc(=O)n21 9225422 XTZMYGGAXGPBSE-SFHVURJKSA-N 395.850 3.654 0 40 GHAB Cc1nc(-c2cccc(N[C@H](C)CCCOc3ccccc3C(N)=O)c2)n[nH]1 97095504 XYKBBSUEEXRRHM-CQSZACIVSA-N 379.464 3.539 0 40 GHAB C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCc1ccc(F)c(CO)c1 89941479 CQGCANUBZDSAIQ-OAHLLOKOSA-N 394.446 3.792 0 40 GHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N[C@@H]1C[C@@H]1c1cccc(F)c1 84372270 XBDWYXIHXSXBAV-NVXWUHKLSA-N 390.842 3.996 0 40 GHAB COc1cccc(NC(=O)N2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 95462293 FONSRGUCEPRAGB-YOEHRIQHSA-N 377.485 3.995 0 40 GHAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)n[nH]1 95479468 RTVYRKKAKUFXPI-UHFFFAOYSA-N 396.882 3.534 0 40 GHAB COc1ccc(CNC(=O)c2nc(Br)sc2C(C)C)cc1OC 95472422 HFGVZTCOZPYUSX-UHFFFAOYSA-N 399.310 3.976 0 40 GHAB COc1ccc(F)c2[nH]c(C(=O)N3Cc4cnn(-c5ccccc5)c4C3)cc12 554712987 PUFRWEIAFDBZNT-UHFFFAOYSA-N 376.391 3.657 0 40 GHAB Cc1cc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(C)c1 33145491 UDFFNEPPVQOJPH-SFHVURJKSA-N 386.517 3.651 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72345986 TTXCXQBPEJOERW-SFHVURJKSA-N 390.462 3.814 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219712493 SGNPYLDABPSPQV-UHFFFAOYSA-N 380.897 3.688 0 40 GHAB Cc1ccccc1C(=O)NC1CCN(C(=O)CSc2ccc(F)cc2)CC1 32305321 FWUHUYUCOOACEK-UHFFFAOYSA-N 386.492 3.647 0 40 GHAB COc1ccc(Oc2nccnc2C2CCN(C(=O)c3coc(C)n3)CC2)cc1 72363259 UYPGQQKPPGHGSZ-UHFFFAOYSA-N 394.431 3.594 0 40 GHAB Cc1cccnc1Nc1cccc([C@H]2CCCN(Cc3cn(C)nc3C)C2)n1 72376040 FYESRCLSOIYCKR-SFHVURJKSA-N 376.508 3.950 0 40 GHAB CCc1ccc(N([C@H](C)C(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1 220280332 GERYMKHDQDCWHI-MRXNPFEDSA-N 380.554 3.633 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1 222898679 PEWYQORHTKJZDZ-JOCHJYFZSA-N 396.531 3.878 0 40 GHAB CCOc1ccc(-c2nnc3sc(NC(=O)c4cccc(OC)c4)nn23)cc1 41108797 YBJRHOYWWIJGIC-UHFFFAOYSA-N 395.444 3.512 0 40 GHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCC2=CCCCC2)cc1 223747027 GZJGSCHIVHWSHQ-UHFFFAOYSA-N 398.528 3.883 0 40 GHAB CC[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(C)c(C)c1 224570677 SUEFYOKRXAISJJ-WOJBJXKFSA-N 388.533 3.503 0 40 GHAB CC[C@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc(OC)c(OC)c1 225583959 TVIBVSOEHDDQGT-INIZCTEOSA-N 393.505 3.759 0 40 GHAB CC[C@H](C(=O)NC1CCCCCCC1)N(c1cccc(C)c1)S(C)(=O)=O 220512996 XBAUQSYDSUXCHP-LJQANCHMSA-N 380.554 3.769 0 40 GHAB O=C(Cn1ccc2cc(Br)ccc21)N1CC[C@@]2(O)CCCC[C@H]2C1 85874705 DPTPQBWAUBHMMH-KXBFYZLASA-N 391.309 3.557 0 40 GHAB biogenic CC(C)c1nnc(C2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)CC2)o1 44098688 WTMUWJARXAJKQY-UHFFFAOYSA-N 397.454 3.752 0 40 GHAB CC(C)c1ccc(OCC(=O)Nc2ccc(I)cn2)cc1 139423582 XTWOXZPKAJPCRH-UHFFFAOYSA-N 396.228 3.827 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 225127259 JPPZDOKHPAXOLI-JOCHJYFZSA-N 396.531 3.880 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1 223995438 OZUYLYJKSFUSFR-PMACEKPBSA-N 391.500 3.854 0 40 GHAB COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 77200051 GXRHPYCKUCGPPY-SJAGGWKPSA-N 386.467 3.576 0 40 GHAB c1cncc(CNc2ccc3nc(C4CCN(Cc5cccnc5)CC4)nn3c2)c1 96267306 BYTHZSNDLUBYNN-UHFFFAOYSA-N 399.502 3.511 0 40 GHAB CCc1ccccc1NC(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1 240619762 ABVUQDCUHGKOFM-UHFFFAOYSA-N 396.487 3.757 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 243474783 NLDNTIBODVTJKJ-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB COc1cccc2[nH]c(C(=O)N3[C@@H]4CN(C(C)=O)[C@@H]5CCCC[C@H]3[C@]5(C)C4)cc12 257292119 QKCFUSYVGRNPAI-HJIBZVINSA-N 395.503 3.571 0 40 GHAB COc1cccc(Cc2cnc(C3(C)CCN(C(=O)c4ccncc4)CC3)o2)c1 257287142 PORRWNHWGUXIHJ-UHFFFAOYSA-N 391.471 3.863 0 40 GHAB Cc1cnn(CC(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)c1 257227884 FRJPFQOMBKESGD-GOSISDBHSA-N 384.867 3.787 0 40 GHAB O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1cc2ccccc2s1 575613535 SSNZBGUNOFQAMI-JOCHJYFZSA-N 381.497 3.946 0 40 GHAB CN(Cc1cc(Br)cs1)C(=O)c1cncc(Br)c1 44318000 KGTQNZDWMBQWNA-UHFFFAOYSA-N 390.100 3.940 0 40 GHAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3cccc4ncccc34)C[C@@H]12 72395829 PDDNSGPAJRDFLG-RDGATRHJSA-N 399.494 3.784 0 40 GHAB Cc1ccsc1CN1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615126884 ALEDGGBNFUWOKD-OAQYLSRUSA-N 388.508 3.984 0 40 GHAB O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)OCO3)s1 897694 PVVBOERHXGUDFL-UHFFFAOYSA-N 389.820 3.605 0 40 GHAB C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cn1 5668427 SLVKMDNQQDPTPC-JTQLQIEISA-N 386.757 3.867 0 40 GHAB CCOc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cc(OCC)c1OCC 13439462 SPHLPNVMCPUDSG-UHFFFAOYSA-N 387.432 3.762 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14397150 PXVATSOQBWVODH-INIZCTEOSA-N 398.503 3.766 0 40 GHAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(OCC(F)(F)F)cc1 14900852 DJOCAQLEDXWESM-UHFFFAOYSA-N 375.350 3.995 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2C)c(C)c1 16267515 PHIBYLXMXRELMJ-UHFFFAOYSA-N 394.924 3.833 0 40 GHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C[C@@H]3C=CCC3)C1)N2 19127633 BTLVHOIHMIQRPD-LTIDMASMSA-N 378.467 3.777 0 40 GHAB Fc1ccc(-c2cccc(CN3CCC[C@H]3c3nnc4n3CCNC4)c2)cc1 19705543 OGNHITXKIAODMM-FQEVSTJZSA-N 377.467 3.525 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccnn2C2CCCC2)cc1OC 19714118 KTOBIEWVWWDOOK-GOSISDBHSA-N 398.507 3.791 0 40 GHAB O=C(COC(=O)/C=C/c1ccc(C(F)(F)F)cc1)NCCc1ccc(F)cc1 5447919 UFLSQEDVBOAZHT-BJMVGYQFSA-N 395.352 3.760 0 40 GHAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)COc3ccccc3)C2)N1C 643574531 ZGIPMZQSDWHVOK-RTWAWAEBSA-N 393.531 3.681 0 40 GHAB CC1(C)C[C@@]1(NC(=O)NCc1ncn(Cc2cccc(F)c2)n1)c1ccccc1 664719805 DCTVEXWDOLJUSP-JOCHJYFZSA-N 393.466 3.590 0 40 GHAB O=C1NCCN(Cc2ccc(F)cc2)C[C@H]1Cc1ccccc1-c1cccnc1 19348579 SELNJANHQADZCS-OAQYLSRUSA-N 389.474 3.678 0 40 GHAB COCCC(=O)NC[C@H]1CC[C@H](c2nc(C3CC3)ncc2-c2cc(C)no2)CC1 257281314 OOORSHHXAMCUTE-WKILWMFISA-N 398.507 3.744 0 40 GHAB Cc1cc(N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)nc(C2CC2)n1 1888855770 HWPSRTKQFWNEHF-GASCZTMLSA-N 389.425 3.649 0 40 GHAB CC(C)Sc1ccc(CC(=O)NC[C@H](O)c2ccc(-n3cccn3)cc2)cc1 1888962458 OQMPJIQUWFNHLO-NRFANRHFSA-N 395.528 3.765 0 40 GHAB O=C1CO[C@H]2CCN(Cc3ccc(F)cc3Cl)C[C@@H]2CN1c1ccccc1 2037983752 DPZMKWGNIFMPNT-UZLBHIALSA-N 388.870 3.733 0 40 GHAB CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 1506043 KFFCVBGNVGRWCS-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nc2c([nH]c3ccccc32)c1=O 2720605 KHJZDQLGXPHSOS-UHFFFAOYSA-N 398.875 3.799 0 40 GHAB O=C1[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)N1c1ccccc1)[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]31 4744596 MAAYCDPIHURLKL-ARHBBURHSA-N 392.842 3.515 0 40 GHAB COc1ccc(OC)c([C@H]2c3cccn3CCN2C(=O)NCc2ccccc2)c1 5256358 VDVPUFLAZOVEQE-QFIPXVFZSA-N 391.471 3.820 0 40 GHAB COc1ccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c(OC)c1 5269897 WSBNRECRCBUFGD-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB COCCNC(=O)CSc1[nH]c(-c2cccc(OC)c2)nc1-c1ccccc1 6729206 NTULIOQZBAVDKV-UHFFFAOYSA-N 397.500 3.607 0 40 GHAB CC(=O)Nc1c(C(=O)Nc2ccc(C)c(Cl)c2)nnn1-c1ccc(C)cc1 12414953 KXKMYHNESFCDCO-UHFFFAOYSA-N 383.839 3.748 0 40 GHAB Cc1cc(NC(=O)[C@@H]2COc3ccccc3O2)n(-c2nc3ccccc3s2)n1 16851021 RTMSZDRAXFFTJI-INIZCTEOSA-N 392.440 3.569 0 40 GHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 17248159 GOOAJOULQFDECE-UHFFFAOYSA-N 378.881 3.830 0 40 GHAB COc1cccc(CN2C[C@H]3CCC[C@@H](C2)C3CC(=O)NCc2ccco2)c1 2055745937 RPEFBQHOWSKWFB-QIDMFYOTSA-N 382.504 3.843 0 40 GHAB Cc1ccccc1NC(=O)[C@H](C)SC1=Nc2ccccc2C2=N[C@@H](C)C(=O)N12 21935661 MOCDTCRIANAOHI-KBPBESRZSA-N 392.484 3.734 0 40 GHAB Cc1nc2ccc(NC(=O)c3cccnc3)cc2c(=O)n1-c1ccc(Cl)cc1 22499937 NGYZAXGZTQIRIW-UHFFFAOYSA-N 390.830 3.995 0 40 GHAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)NCCC4=CCCCC4)cnc3c2c1 23125598 IRCQVKCQISGQGX-UHFFFAOYSA-N 378.476 3.583 0 40 GHAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cc(N2CCCC2)ncn1 225536790 OAISNFVIOMJJHW-UHFFFAOYSA-N 390.472 3.705 0 40 GHAB CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccccc1 49007737 IJSDRVQNPFKIAE-UHFFFAOYSA-N 380.473 3.730 0 40 GHAB Cc1cccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc3nncn3c2)c1 49408235 XYXMQPWENRDVRE-UHFFFAOYSA-N 396.447 3.572 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)N[C@@H](C)Cc1csc2ccccc12 575621772 UDKWSVLSUIVXLA-LBPRGKRZSA-N 379.478 3.959 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(C)nn2[C@@H]1c1ccc(C)cc1 10434278 UUOZKBBAQFOWRF-HXUWFJFHSA-N 389.459 3.831 0 40 GHAB O=C(O)c1cccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)c1 12042487 WEXOHMVHCVBNEF-UHFFFAOYSA-N 384.409 3.732 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccco3)ccc2o1 40081657 FLWPYRMWMYSADG-OAHLLOKOSA-N 381.432 3.962 0 40 GHAB COc1ccccc1[C@H](C)N(C)S(=O)(=O)c1ccccc1OC(F)(F)F 30523866 AYFLJFGVDBCPNQ-LBPRGKRZSA-N 389.395 3.976 0 40 GHAB Cc1ccc2c(CC(=O)NC3CCN(C(=O)c4ccco4)CC3)coc2c1C 11527925 ZNNNUDOOOYVMSR-UHFFFAOYSA-N 380.444 3.606 0 40 GHAB Nn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1 2193231 IJCCPEQKOWWWHS-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccccc1 3501495 LXYAZGPLKNTLNZ-UHFFFAOYSA-N 380.473 3.898 0 40 GHAB CCOC(=O)[C@H](CC)Sc1nnc(-c2ccccc2Br)n1C 4130168 AXQZSPKEXWREKR-LBPRGKRZSA-N 384.299 3.678 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2cc(C)ccc2C(C)C)c2ccccc21 4987830 OELZUJPKYYLFDJ-QHCPKHFHSA-N 381.472 3.711 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)s2)cc1C 6679651 KEIFZIODSDJOTK-UHFFFAOYSA-N 378.519 3.710 0 40 GHAB CCCCn1nnnc1CSc1nnc(-c2ccc(OC)cc2)n1C(C)C 6842399 UJJYPCRINVSUTE-UHFFFAOYSA-N 387.513 3.614 0 40 GHAB Cc1ccc(CN(C)C(=O)CSc2nnc3[nH]c4ccccc4n23)c(C)c1 7371619 REXQISSROAFWDB-UHFFFAOYSA-N 379.489 3.578 0 40 GHAB COc1cc(CNn2cnnc2)ccc1OCc1ccc(Cl)c(Cl)c1 7601166 RAUYWNKVNZVALW-UHFFFAOYSA-N 379.247 3.916 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCSc3ccccc32)c1 32676002 KMTLJQSEMVLODP-UHFFFAOYSA-N 381.906 3.886 0 40 GHAB CCN1CCc2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2C1 21294249 MBYUBCRXIULFEY-UHFFFAOYSA-N 384.530 3.826 0 40 GHAB CCc1ccc2nc(NC(=O)CCn3c(C)nc4ccccc4c3=O)sc2c1 29777068 TWKVIUNPMLPXSF-UHFFFAOYSA-N 392.484 3.906 0 40 GHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@H]2CC(=O)N(CC(C)C)C2)cs1 29780857 LCNLAFLAFMPRFO-KRWDZBQOSA-N 383.517 3.512 0 40 GHAB CCOc1cccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 10294521 CZXGLARJZKHMFS-UHFFFAOYSA-N 398.484 3.643 0 40 GHAB CC(C)OC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)[nH]1 10476068 IXWADTYVPOWJRM-UHFFFAOYSA-N 396.472 3.768 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)S(=O)(=O)Cc1ccccc1C(F)(F)F 109033394 GEMHHPVBFHHPKK-XEZPLFJOSA-N 391.455 3.704 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)[C@@H](c1ccccc1)N1CCCC1 58309074 VHTWCYYQGPTSKS-HSZRJFAPSA-N 377.532 3.736 0 40 GHAB CCNC(=O)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)nc2ccccc12 92871823 GLLJSSXPRMXOKD-UHFFFAOYSA-N 391.324 3.793 0 40 GHAB CCC(=O)Nc1nnc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)s1 624688 HBUXUWVFGMNZBW-GFCCVEGCSA-N 378.523 3.931 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 22275572 BRQCCZWHNJDCKM-UHFFFAOYSA-N 382.391 3.801 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 22602896 WMCQWOAVMJHXQP-UHFFFAOYSA-N 390.443 3.601 0 40 GHAB CC(C)CN1CCO[C@@H](CNC(=O)Cc2coc3ccc4ccccc4c23)C1 22764179 CKBZVHZCNBOCHM-IBGZPJMESA-N 380.488 3.602 0 40 GHAB COc1cc(CCC(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc(OC)c1 23231141 PDRDDEHXOHSHGA-UHFFFAOYSA-N 397.471 3.616 0 40 GHAB Cc1c(C(N)=O)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC(C)C 1001913 WSKKYWBCXYPMTO-UHFFFAOYSA-N 380.853 3.626 0 40 GHAB COc1ccc(F)cc1CN1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 24386106 VCBHSNGPYGBBIS-UHFFFAOYSA-N 395.478 3.593 0 40 GHAB C[C@@H]1CCCN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)C1 25285905 FMGJYZNGFGEOTC-OAHLLOKOSA-N 386.565 3.639 0 40 GHAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc2c(c1)CCCC2 25321329 QKKPBVZDKATYEW-UZLBHIALSA-N 380.488 3.888 0 40 GHAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H](Cc1ccccc1)n1cnnn1 25466465 WCDOXSDLPCXVFH-QFIPXVFZSA-N 381.439 3.667 0 40 GHAB O=C(NCc1ccccn1)c1ccn(COc2cccc(Cl)c2Cl)n1 27972598 HLNXMHNBPNJGSB-UHFFFAOYSA-N 377.231 3.551 0 40 GHAB Cc1cc(OC(=O)CCNC(=O)OCc2ccccc2)c2c(C)cc(=O)oc2c1 2091983 JTAMJCIOIGJKHZ-UHFFFAOYSA-N 395.411 3.632 0 40 GHAB biogenic C[C@H](NC(=O)c1cc(-c2cccs2)nc2ccccc12)C(=O)N1CCCC1 58173625 UIABNFXCAFDIBZ-AWEZNQCLSA-N 379.485 3.704 0 40 GHAB COc1cc2c(cc1OC)-c1cc(N3c4ccccc4C[C@H]3C)nc(=O)n1CC2 2118835 ZEQIJAZQLJZDAV-CQSZACIVSA-N 389.455 3.566 0 40 GHAB biogenic CC(=O)Nc1ccc(C(=O)Nc2nnc(CCCOc3ccccc3)s2)cc1 9698631 POGAEMOEVZDAJX-UHFFFAOYSA-N 396.472 3.760 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2)cc1 409204134 BYQAKEMUDUSVBH-UHFFFAOYSA-N 380.897 3.598 0 40 GHAB COC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 12740462 JVLSITVVJPUAMH-LLVKDONJSA-N 394.301 3.638 0 40 GHAB CCN(CC)c1ccc(CNC(=O)c2cc3cc(OC)ccc3nc2C)cn1 48300324 ODOZAZSZKBDCAP-UHFFFAOYSA-N 378.476 3.723 0 40 GHAB CC(=O)c1c(C)nc(C)nc1SCC(=O)N(C)Cc1ccc(Cl)s1 12822651 VXCAKYIVWZPGAY-UHFFFAOYSA-N 383.926 3.762 0 40 GHAB Cc1nc(NC(=O)c2ccc3c(c2)OCO3)sc1-c1nccn1C(F)F 22526766 FXGYWPUIUDILGV-UHFFFAOYSA-N 378.360 3.691 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 12886671 BPXVROLCHNFTIG-JXFKEZNVSA-N 393.487 3.596 0 40 GHAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc(C)c(C)n1CC(C)C 8478982 YTHQENWNBUSHGE-LJQANCHMSA-N 387.549 3.565 0 40 GHAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)COc4ccccc4)c3)nn12 13483798 IWUHKUNUUGQWHQ-UHFFFAOYSA-N 393.472 3.741 0 40 GHAB CCc1ccc(S(=O)(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1 8519661 IEBHABNDBVJSAZ-UHFFFAOYSA-N 383.517 3.872 0 40 GHAB CC(C)(C)NC(=O)Cc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1 49677548 RBJSVLOOWKCTKD-UHFFFAOYSA-N 394.519 3.781 0 40 GHAB COC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(OC)c(OC)c1 4246504 PLSSSURBQYGBCE-CYBMUJFWSA-N 399.472 3.605 0 40 GHAB COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C(C)C)cc1OC 13778000 CSRGRKYWSZSBHL-UHFFFAOYSA-N 394.471 3.905 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3cc(C)ccc3C)n2)cc1OC 4384100 UJVBLOIVHYRHRH-UHFFFAOYSA-N 381.432 3.942 0 40 GHAB COc1ccccc1CNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 6288640 BDWZDXOJAAAQQR-NRFANRHFSA-N 388.467 3.873 0 40 GHAB CC(C)c1noc(-c2ccnc(-n3cnc(C(=O)NC4CCCCC4)c3)c2)n1 65251021 YXVYWOQIVUHZCV-UHFFFAOYSA-N 380.452 3.503 0 40 GHAB Cc1cc(C)n2c(SCCOc3ccc(Br)cc3)nnc2n1 5213384 FQJCPNWBLDDBPA-UHFFFAOYSA-N 379.283 3.675 0 40 GHAB CCC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 13955171 UOKDBJSCYBFXFG-QGZVFWFLSA-N 394.427 3.602 0 40 GHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1ccccc1Br 4468964 SINSWCSOAYPOAU-IBGZPJMESA-N 385.261 3.733 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 4502800 SDTFAFMKYHZAAS-SNVBAGLBSA-N 378.881 3.785 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)COc1ccc(Cl)cc1Cl 14390150 XCCFKHDUZRPPSG-UHFFFAOYSA-N 382.243 3.802 0 40 GHAB Cc1ccc(OCC(=O)Nc2nc3ccccc3nc2N2CCCC2)c(C)c1 14728797 SBDLDUVJJUZWCB-UHFFFAOYSA-N 376.460 3.864 0 40 GHAB O=c1c2nccnc2nc(SCc2ccc(F)cc2)n1Cc1ccccc1 6818539 ARCVTCODZUPANB-UHFFFAOYSA-N 378.432 3.666 0 40 GHAB CCCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1F)S2 6812146 KVCWALUXAQKMBC-MSOLQXFVSA-N 397.479 3.768 0 40 GHAB COc1ccc(NC(=O)CCOc2cccc(Br)c2)cc1OC 6931367 UUKTUWXGBOROSO-UHFFFAOYSA-N 380.238 3.874 0 40 GHAB O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1Cl 6923279 QWRRIMRJEWCHDB-UHFFFAOYSA-N 387.288 3.631 0 40 GHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)COc2cccc(C)c2)CC1 7106041 PHGDKWDKGCOJPB-UHFFFAOYSA-N 387.911 3.808 0 40 GHAB O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccc(OC[C@H]2CCCO2)cc1 7218951 ZTMQPCVBPHBIPN-GOSISDBHSA-N 398.390 3.791 0 40 GHAB O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1cccc(F)c1 408625343 XPPUMLVDMZLNIC-UHFFFAOYSA-N 389.196 3.993 0 40 GHAB O=C(Nc1nc2ccc(Cl)cc2s1)c1nn(-c2ccccc2)ccc1=O 8994056 JYVXFUXSGWOQRR-UHFFFAOYSA-N 382.832 3.748 0 40 GHAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@H]1C[C@H]1c1ccccc1Cl 96007041 XWGSFTWNODBYNK-GIVPXCGWSA-N 398.934 3.717 0 40 GHAB CCCc1ccc(-c2nc(NC(=O)CN3CSCC3=O)sc2C)cc1 9652955 JMKIGMFNAIOIPJ-UHFFFAOYSA-N 375.519 3.542 0 40 GHAB C[C@@H]1Oc2ccc(-c3csc(NC(=O)c4ccccc4)n3)cc2N(C)C1=O 19796665 PKVLVVDLVWXMRW-LBPRGKRZSA-N 379.441 3.806 0 40 GHAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 84022994 CVGJIQZHHUUECJ-OAHLLOKOSA-N 391.471 3.533 0 40 GHAB Brc1ccc(SCCNc2nnnn2-c2ccccc2)cc1 9882960 ICVJEKSRKSWZBA-UHFFFAOYSA-N 376.283 3.629 0 40 GHAB CC1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 409408500 DBVKTFVYLWWYNF-NRFANRHFSA-N 384.501 3.926 0 40 GHAB Cc1cccc(NC(=O)CC(C)(C)CC2=NS(=O)(=O)c3ccccc3N2)c1 67349715 GXDJGNOINDZKGL-UHFFFAOYSA-N 385.489 3.953 0 40 GHAB CCN(Cc1nnc(-c2ccc(F)cc2)o1)[C@@H]1CCN(Cc2ccccc2)C1 95940576 BKKDQVXILASFLH-HXUWFJFHSA-N 380.467 3.972 0 40 GHAB Cc1cc2ccccc2n1CC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 9907423 XNJJHOWVTPWYOV-UHFFFAOYSA-N 390.487 3.762 0 40 GHAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(C(=O)c2ccccc2)CC1 9986957 JIENJWHNSVNPKO-OAHLLOKOSA-N 398.890 3.580 0 40 GHAB O=C(NC(=S)NNc1ccccc1)c1cccc(OCc2ccccc2)c1 408625509 DRBJWDKHNHUIKA-UHFFFAOYSA-N 377.469 3.897 0 40 GHAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)NC(C)C 408701488 YSPUTCORKCMPTE-UHFFFAOYSA-N 396.896 3.678 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)c2n[nH]nc2Nc2ccc(F)cc2)c1 38487152 RKBDEZHJUSQNMB-UHFFFAOYSA-N 385.399 3.737 0 40 GHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCCCOC 38753897 ZWJKWZKCCHUNHS-LJQANCHMSA-N 384.476 3.557 0 40 GHAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)c(Cl)c1 32115571 CNZXNTDILJNNLJ-UHFFFAOYSA-N 389.908 3.612 0 40 GHAB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)CN1C1CCCC1 6283096 WEZKQJWBJHEYJK-ZJSXRUAMSA-N 399.494 3.795 0 40 GHAB biogenic O=C(c1ccco1)N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 32721903 APTMCADXPSHLDF-UHFFFAOYSA-N 384.819 3.791 0 40 GHAB COC(=O)[C@@H](CCSC)NC(=O)c1cc(-c2ccco2)nc2ccccc12 32124336 ZXXIFWFZXIVYMJ-MRXNPFEDSA-N 384.457 3.519 0 40 GHAB biogenic CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)cc2)c1 30831901 FHQLOPRSDZBBMW-UHFFFAOYSA-N 388.851 3.606 0 40 GHAB Cc1cccc2c(C[C@@H](C)NC(=O)c3ccc(CN4CCOCC4)cc3)c[nH]c12 72390299 MQWTWUIKHWZJOG-GOSISDBHSA-N 391.515 3.670 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(-n2cnnc2)c1 32646642 LEWMWCPXXXSIGG-UHFFFAOYSA-N 376.338 3.612 0 40 GHAB CC(=O)N1CCC(N2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)CC1 72358186 QXNNGLKUGZQYHO-HSZRJFAPSA-N 381.495 3.959 0 40 GHAB O=C(c1ccc(N2CCOCC2)cc1)N1CCS[C@H](c2cccs2)CC1 219521334 OFSMDBZFPFUKPR-IBGZPJMESA-N 388.558 3.905 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219363302 KXFYUDVVOUHQEW-LJQANCHMSA-N 395.459 3.870 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 222864511 PHNKWDOCGFCKSB-SFHVURJKSA-N 396.531 3.915 0 40 GHAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2Cl)c1=O 40478515 VAAYNLBPBFQWBV-UHFFFAOYSA-N 399.878 3.564 0 40 GHAB CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 222836899 ZXVXXZOGZNPLPQ-MRXNPFEDSA-N 382.932 3.644 0 40 GHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCc1ccc(OC)cc1 222980720 VWBVJILQNFBJCL-KRWDZBQOSA-N 398.503 3.537 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1(C2(C(=O)N3CCCC3)CC2)CC1 225926051 JJHQXYZCTOMOBV-UHFFFAOYSA-N 382.382 3.707 0 40 GHAB CCc1ccc(OCC(=O)NCCOc2ccc(F)cc2)c(Br)c1 224248816 DTCAWBFFTIJZGR-UHFFFAOYSA-N 396.256 3.725 0 40 GHAB Cc1ccc(C)c(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225693526 LAWITEWKUCWOAM-FQEVSTJZSA-N 396.531 3.667 0 40 GHAB Cc1nn2c(=O)cc(CSc3nccn3-c3ccc(C)c(C)c3)nc2s1 46882268 GNXFIHPGVUUYAO-UHFFFAOYSA-N 383.502 3.554 0 40 GHAB O=S(=O)(NCCCNc1ccnc2cc(Cl)ccc12)c1ccccc1 222983989 WTIOMEACBHPOHA-UHFFFAOYSA-N 375.881 3.669 0 40 GHAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 222908071 WAXXJZNFYHJTKD-GOSISDBHSA-N 384.545 3.516 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(Cl)c3C)ccc21 225206922 IJAKTFGHOCYBTC-UHFFFAOYSA-N 378.881 3.748 0 40 GHAB Cn1c(CO[C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2F)nc2ccccc21 96111982 WVBQUIJALCXLQL-QAPCUYQASA-N 387.842 3.606 0 40 GHAB biogenic,in-vitro O=C([C@H]1C[C@@]2(CO1)CN(Cc1ccc(F)cc1F)c1ccccc12)N1CCCC1 96143993 HDDSJGYVTBCVPG-GGAORHGYSA-N 398.453 3.634 0 40 GHAB O=C(NC1CCN(c2nccs2)CC1)c1ccnc(-c2ccc(Cl)cc2)n1 583340920 UUQQIIGHOALKSC-UHFFFAOYSA-N 399.907 3.652 0 40 GHAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C(N)=S)cc1 252515952 OWVUZDSLPMWCEM-ZACQAIPSSA-N 379.934 3.744 0 40 GHAB O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCN(c2cc(C3CC3)[nH]n2)CC1 253473613 WSGBSFLUOAKTML-UHFFFAOYSA-N 392.425 3.634 0 40 GHAB CC1(C)CC(=O)c2cccc(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)c2O1 1131876155 JBWSDZJVSUKVKI-AWEZNQCLSA-N 382.391 3.634 0 40 GHAB CC(C)Cn1cc(CCNC(=O)c2ccccc2-n2cnnc2)c2ccccc21 604419360 XMRNACDRSCEJME-UHFFFAOYSA-N 387.487 3.851 0 40 GHAB CO[C@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(C)s1 96104816 FTHYDTGDSJODSH-CQSZACIVSA-N 393.452 3.882 0 40 GHAB CSc1cccc(C(=O)N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)c1 390831730 UKKWARKRIAYSAR-GOSISDBHSA-N 393.505 3.550 0 40 GHAB Cc1nc(/C=C/C(=O)N2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cs1 585289390 FTOBSMCUZBSWQN-ITGJNFKXSA-N 398.528 3.832 0 40 GHAB CC(C)N(C(=O)[C@H](C)OC(=O)c1csc(NCc2ccccc2)n1)C(C)C 12768731 GZVDXKUYDARFIN-HNNXBMFYSA-N 389.521 3.946 0 40 GHAB CCN(Cc1ccc2c(c1)OCO2)c1nc(C)nc2sc(C(=O)OC)c(C)c12 14333690 PCFQCWMKRMJXEF-UHFFFAOYSA-N 399.472 3.850 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N[C@H](C)CCc1ccc(F)cc1)(C3)C2 19455741 LLNDCNSOENWKIA-STICQWJMSA-N 386.511 3.738 0 40 GHAB CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1c(C)noc1C 19580108 RAJCEKWXUCPQLL-KCZVDYSFSA-N 395.503 3.691 0 40 GHAB Cc1ccc(C2(C(=O)N(C)Cc3cc([C@@H]4CCCNC4)nn3C)CCCC2)cc1 19709154 YOPOZJHPSTWINE-LJQANCHMSA-N 394.563 3.666 0 40 GHAB O=C(Nc1cccc(-n2cccn2)c1)c1cc(N2CCOCC2)nc2ccccc12 19718085 FLEXIVXLMSBXQI-UHFFFAOYSA-N 399.454 3.509 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3nc(-c4cn(C)nc4C)cs3)on2)cc1 19718911 GSHQRQKKJONMBL-UHFFFAOYSA-N 395.444 3.768 0 40 GHAB CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)C[C@H]4C=CCC4)CC3)nc21 19739253 RBOCPQMYFMDPAV-KRWDZBQOSA-N 396.535 3.537 0 40 GHAB Cn1c(-c2ccc(F)cc2)c[nH]/c1=N\C(=O)c1[nH]nc2c1C[C@@H](C(C)(C)C)CC2 35316692 IHOIAUFNCSKXCE-AWEZNQCLSA-N 395.482 3.775 0 40 GHAB COc1c(Br)cc(Br)cc1CNCc1ccccn1 7274790 DKPXVHGOTAEJST-UHFFFAOYSA-N 386.087 3.905 0 40 GHAB COc1cc2ncnc(N3CCC(COc4ccnc(C)c4)CC3)c2cc1OC 1889213073 QMRPWMIWSYDQMC-UHFFFAOYSA-N 394.475 3.646 0 40 GHAB CC(C)[C@@H](C(=O)Nc1cccc(-c2cnco2)c1)N1Cc2ccccc2C1=O 1264704236 ACZLRJTYFQAADT-FQEVSTJZSA-N 375.428 3.961 0 40 GHAB CC(C)(C)c1cn2nc(OC[C@@H]3CCN(c4nc(C5CC5)ns4)C3)ccc2n1 2087046249 BLFYSQLTCIFPIX-CYBMUJFWSA-N 398.536 3.661 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc4c(c3)CCCC4)sc2c1 4088506 XIWQALPHPYMIKL-UHFFFAOYSA-N 386.498 3.831 0 40 GHAB Cc1nn(C(C)(C)C)c(OC(=O)CC(C)C)c1S(=O)(=O)c1ccccc1 4907416 DOADMYNSVIPUPY-UHFFFAOYSA-N 378.494 3.731 0 40 GHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2 5153997 FHMMQJAJBOTFAB-GFCCVEGCSA-N 390.892 3.846 0 40 GHAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)c2)nn1 5204287 KGKVAHILKDPAMN-UHFFFAOYSA-N 397.456 3.546 0 40 GHAB CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccnn3C)nc12 13655612 YDJDVPPUYZHGLY-UHFFFAOYSA-N 393.472 3.671 0 40 GHAB COc1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1OC 49546761 VRBMVDLEGCYRNH-HNNXBMFYSA-N 396.468 3.664 0 40 GHAB CN(C)c1ccc(C(=O)Nc2nnc(-c3ccc(Br)s3)o2)cc1 11695461 SLCORRWEHWBJSM-UHFFFAOYSA-N 393.266 3.879 0 40 GHAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H]3OC(C)(C)OC[C@]32C)[C@@]12CC[C@@](CO)(CCO)O2 3881322 VKCTYACKTCTDRG-CYYHDTDOSA-N 396.568 3.653 0 40 GHAB biogenic Cn1cc([C@@H](O)CNC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 96096465 LRNJVILTTCMKJJ-KRWDZBQOSA-N 393.270 3.714 0 40 GHAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(Cc3ccccc3F)C[C@H]2C[C@@H]1O 2332242691 INRNDFSKIVNIHG-WKZKVMAPSA-N 379.479 3.928 0 40 GHAB COC(=O)/C(=C/Nc1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1 100025846 SGEDQHBOMZDXFH-DHDCSXOGSA-N 387.791 3.518 0 40 GHAB O=C(c1cc(-c2ccccc2)on1)N1CCN(Cc2ccc(Cl)cc2)CC1 20028607 CRVFPMHHDFRWEZ-UHFFFAOYSA-N 381.863 3.953 0 40 GHAB c1coc([C@@H]2N=C3NCN(C4CCCCC4)CN3c3nc4ccccc4n32)c1 20101812 WVSMWZYYFASERA-LJQANCHMSA-N 376.464 3.505 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(F)c1 40485098 RAFGYUKLLOPZCX-IBGZPJMESA-N 393.422 3.744 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)c1C 894356 CYXIMVFQZILGGV-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB CC[C@@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 1368031 XZPAVEZOLHXTHF-GFCCVEGCSA-N 391.562 3.747 0 40 GHAB CCOC(=O)c1cnc2cc3c(cc2c1Nc1ccc2c(c1)OCO2)OCO3 1586156 OQSNJMVIXHTKAM-UHFFFAOYSA-N 380.356 3.613 0 40 GHAB COc1ccc(CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC 3585579 SQCAUAVKQFISPM-UHFFFAOYSA-N 398.381 3.673 0 40 GHAB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc3oc(-c4ccccc4)nc3c1)C2=O 4603614 UDCOBTXZOYBBRE-UHFFFAOYSA-N 384.347 3.994 0 40 GHAB O=C(CN1CCC(N2CCCCC2)CC1)NC(c1ccccc1)c1ccccc1 4968991 ADPWUUQKJOZHKM-UHFFFAOYSA-N 391.559 3.843 0 40 GHAB Cc1cc(NC(=O)CCc2cnn(-c3ccccc3)c2)ccc1N1CCCC1=O 11748889 KANXTCXAGJWUSO-UHFFFAOYSA-N 388.471 3.879 0 40 GHAB COc1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7929494 RJHUGANFCRLBJX-NSHDSACASA-N 380.227 3.961 0 40 GHAB CC(C)[C@H](N[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 7255769 PILWGXDCBMTIIU-GCJKJVERSA-N 381.520 3.837 0 40 GHAB CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(F)cc2)c2c(Cl)cccc21 32105745 UBAOCKICDLSZQQ-HXUWFJFHSA-N 396.809 3.919 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)/C=C/c1ccc(Cl)cc1 2657619 PTLPPVNZEDMXLD-JXMROGBWSA-N 389.835 3.901 0 40 GHAB COc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1 11999054 RYLJTVAVPXSLBI-UHFFFAOYSA-N 387.439 3.936 0 40 GHAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc2nsnc2c1 57333722 RNGYWJSXGZRHJP-UHFFFAOYSA-N 387.424 3.825 0 40 GHAB CN(C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)C1CCCC1 20490261 REICVQYKQODTDG-UHFFFAOYSA-N 398.956 3.919 0 40 GHAB COc1ccc(CNC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1OC 32802117 MLNVIACBKXJPKV-UHFFFAOYSA-N 394.475 3.506 0 40 GHAB CCc1nn2c(=O)cc(CSc3nc(C)cc(-c4ccccc4)n3)nc2s1 21628672 ZTQBTBBHVDQFCX-UHFFFAOYSA-N 395.513 3.771 0 40 GHAB COc1ccc(NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 12195753 JDGRIUAGIYLSAD-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB NC(=O)c1ccsc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(Cl)cc1 53184323 OLCMQJZUPCJUQG-SFHVURJKSA-N 399.903 3.818 0 40 GHAB COc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccccc1C 668604 PFFJCROXLIMIDT-UHFFFAOYSA-N 378.222 3.596 0 40 GHAB COC(=O)CCCc1nc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)no1 78806187 VRBFIQKAHUZGDT-GOSISDBHSA-N 382.464 3.774 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 28207105 ZKRVLCPTRWQKNO-HOTGVXAUSA-N 386.517 3.745 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3ccsc3c(=O)n2C)cc1 26111670 GBPJBHURRXLTHA-LLVKDONJSA-N 389.502 3.513 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1C 21595732 SAWPGXJKLIHOPL-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1 3297347 VAVMBAOSOWDZHF-YWZLYKJASA-N 397.475 3.925 0 40 GHAB CCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1 57487376 RTOBWTAODLVKTK-UHFFFAOYSA-N 387.530 3.716 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1OC 1960671 KNVOHDFWAWSAGB-VQHVLOKHSA-N 375.808 3.552 0 40 GHAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 44572760 XLRAFNAVOHQDOW-UHFFFAOYSA-N 382.851 3.788 0 40 GHAB CCCCS(=O)(=O)c1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 27664383 QEOGYHIGJMXQAZ-UHFFFAOYSA-N 381.523 3.662 0 40 GHAB COC(=O)[C@@H](C)Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 2130788 KOKGDWOCSFANIR-GFCCVEGCSA-N 392.363 3.507 0 40 GHAB biogenic CC1(C)CC[C@H](NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c2ccccc21 58217622 DQCIHFQBIUSBGY-IBGZPJMESA-N 376.456 3.883 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c(C)c1 22338776 BGOJBYYLZHUFPC-SFHVURJKSA-N 388.533 3.564 0 40 GHAB CN(C)C[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 12744742 TVVNXGHHEHQZEQ-JOCHJYFZSA-N 387.483 3.972 0 40 GHAB Nc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2nc(-c3cccnc3)ccc12 2247163 HNSGUZXGDYVAMG-UHFFFAOYSA-N 390.424 3.922 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NS(=O)(=O)c1ccc(Cl)cc1 2268211 DWSABBUJDZENGM-UHFFFAOYSA-N 394.663 3.531 0 40 GHAB CC(=O)Nc1nc(C(=O)Nc2nc3ccccc3n2-c2ccccc2)cs1 48355229 MBJRZYKOJNJZOF-UHFFFAOYSA-N 377.429 3.693 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)c1ccc2nnc(-c3ccccc3)n2n1 48354504 YZERSQNXCISZKL-UHFFFAOYSA-N 395.470 3.673 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl 12864528 FPWGOKFXSPVIKF-WFASDCNBSA-N 386.323 3.559 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1OC 22277392 VICJTOGIXQXRED-HXUWFJFHSA-N 397.496 3.966 0 40 GHAB C[C@@H]1c2cccn2CCN1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 12850341 MMPBJCQRMVUHDO-IAGOWNOFSA-N 394.544 3.881 0 40 GHAB COc1ccccc1-n1nnnc1Sc1ncc(C(F)(F)F)cc1Cl 3425837 POYUPUBLJRHIOH-UHFFFAOYSA-N 387.774 3.889 0 40 GHAB Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1NC(=O)c1ccc(Cl)cc1 408602743 FMHRTLMTXPBAKC-UHFFFAOYSA-N 380.897 3.978 0 40 GHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)c12 12910871 LZQHEAFASRJHLW-FQEVSTJZSA-N 391.519 3.529 0 40 GHAB CNC(=O)c1cccc(CNC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c1 48568416 CEYVMGWOYPVKCM-GFCCVEGCSA-N 379.382 3.625 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1 7916935 FZGKQWFXDZSYSU-MRXNPFEDSA-N 387.911 3.532 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCc1cccc(C(F)(F)F)c1 68725478 LJPDHSMCJHLLNW-QGZVFWFLSA-N 396.384 3.915 0 40 GHAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1)c1ccccc1 13691880 XNYMHKJZBILICW-MJGOQNOKSA-N 389.499 3.826 0 40 GHAB O=C(CSc1ncnc2ccccc12)Nc1cc(Cl)ccc1-n1cncn1 8186740 YEEMQOLJXMLHKK-UHFFFAOYSA-N 396.863 3.595 0 40 GHAB C[C@@H]1c2cc3c(cc2CCN1S(=O)(=O)c1ccc(Cl)cc1)OCCCO3 5355103 KZZYFNKEVCVTIW-CYBMUJFWSA-N 393.892 3.809 0 40 GHAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccnc2)no1 5321611 IXDZGBBAVBOJIA-LJQANCHMSA-N 387.395 3.851 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)NCc2cccs2)cc1 8273047 VXBQZPMMNCLOOJ-UHFFFAOYSA-N 396.468 3.704 0 40 GHAB O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(Br)o1 5463844 XXJHOMRXSXOFNC-MRXNPFEDSA-N 392.249 3.953 0 40 GHAB CCOC(=O)c1cc(NCc2ccc(OCC)cc2)ccc1N1CCOCC1 4705473 DWXPTLWZIOWCHZ-UHFFFAOYSA-N 384.476 3.711 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1F 4814790 FKUGDKCCUWUOFG-LLVKDONJSA-N 391.497 3.988 0 40 GHAB O=C(Nc1ccc(F)cc1F)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 96820676 IXHCOKNZNJTBES-LDADJPATSA-N 393.353 3.848 0 40 GHAB Cn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1cccnc1 8941972 VOWZLTVLKXVJCC-UHFFFAOYSA-N 395.307 3.676 0 40 GHAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)N(c2cc(C)ccc2C)C(=O)N=C1O 9089666 MUHMMJUVRRXXHY-JOCHJYFZSA-N 377.444 3.714 0 40 GHAB O=C(Nc1ccncc1)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 22483489 DHTLAMHDYYABTP-MRXNPFEDSA-N 377.423 3.533 0 40 GHAB Cc1c(Cl)cccc1NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 9253256 SBIXLUJUDYJJAU-UHFFFAOYSA-N 387.288 3.756 0 40 GHAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1c[nH]c2c(F)cccc2c1=O 96118530 GRYKPRGBDJAMKY-UHFFFAOYSA-N 392.434 3.686 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(Br)c(C)c2)cc1 116709959 ULHHGBMUXZJYGX-UHFFFAOYSA-N 397.294 3.541 0 40 GHAB Cc1ccc(-c2nc(C[S@](=O)[C@H](C)C(=O)Nc3cc(C)on3)cs2)cc1 71801250 IPHFQDZCLXFJLR-ZBSNKRKSSA-N 389.502 3.691 0 40 GHAB CN(C)c1ccc(Cl)cc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 71801503 WDGMDFXTTMGWSP-UHFFFAOYSA-N 381.904 3.992 0 40 GHAB Cc1cc(=O)oc2c(C)c(OCc3nnc(S)n3-c3ccccc3)ccc12 19923625 AVQOAHNCBMYJDR-UHFFFAOYSA-N 379.441 3.858 0 40 GHAB O=C(/C=C/c1cccc(Cl)c1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 79057163 GSVXASHFFXTGPR-SGUAIBKKSA-N 377.893 3.766 0 40 GHAB O=C(NCc1ccc2c(c1)OCCO2)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 84502043 HCMVCEYYQONBJN-LSDHHAIUSA-N 377.362 3.897 0 40 GHAB Cc1nnc2ccc(C(=O)Nc3ncccc3OCc3cccc(Cl)c3)cn12 95963014 HSUHKRGAVYASSX-UHFFFAOYSA-N 393.834 3.917 0 40 GHAB CN(C)[C@@H](CNC(=O)/C=C/c1cccc(Br)c1)c1ccsc1 25810866 KBMKJVHLXNPAOH-MOEXGYKKSA-N 379.323 3.943 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1OCC 408585316 DHBLLFNQLQOWJZ-AWEZNQCLSA-N 392.477 3.693 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Cl)cc1 20886384 BLDDZKNIJXRGBJ-UHFFFAOYSA-N 394.924 3.942 0 40 GHAB O=C(C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccccc1Cl 39964125 KDSVNTNRYQIQLE-KRWDZBQOSA-N 380.835 3.769 0 40 GHAB CC1=NN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@](O)(C(F)(F)F)C1 32099986 ASCFZBHWZLEXAH-ISVAXAHUSA-N 385.169 3.620 0 40 GHAB CC(C)(C)c1ccc(CCCCC(=O)NCCC(=O)N=c2cc[nH]cc2)cc1 524357131 DSOIZMSKOYGFDP-UHFFFAOYSA-N 381.520 3.659 0 40 GHAB Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1C 32641061 XZSWAMPWEMMBAM-MOPGFXCFSA-N 386.542 3.578 0 40 GHAB Cc1cccnc1Nc1cccc([C@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 72376048 GYKVFCMYLLSJEX-KRWDZBQOSA-N 390.491 3.590 0 40 GHAB CN1CCN(C(=O)CCCc2ccccc2)C[C@@H](COCc2ccccc2)C1 72354530 KGXZTNAXPKEWPA-QHCPKHFHSA-N 380.532 3.616 0 40 GHAB COc1cc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)ccc1OCc1ccccc1 40867932 YJDYKNYVQMXTEH-XMZCSZCVSA-N 383.444 3.513 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccccc2Cl)cc1Br 224875942 XPXDEEJKVNZSGJ-UHFFFAOYSA-N 390.686 3.936 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2cccc(Br)c2)c1 225625039 LMSPIPGRJYUMEF-LBPRGKRZSA-N 378.266 3.886 0 40 GHAB CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C)c1ccc(OC)c(C)c1 224742391 VHTMZQYZFUZAGW-QGZVFWFLSA-N 391.489 3.528 0 40 GHAB COC(=O)c1cccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)c1C 225457545 DIMBAQKFYLXYNF-UHFFFAOYSA-N 394.500 3.762 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1 225102553 UNYZGVJIYQYYEX-OAQYLSRUSA-N 382.504 3.707 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC(C)C)cc1 225714560 BRBNHWNRIIKAQJ-QFIPXVFZSA-N 396.531 3.960 0 40 GHAB COc1cc(C(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc(OC)c1OC 226255313 LEZAGUKHEVELDL-AWEZNQCLSA-N 399.491 3.926 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)cc21 223355273 WSSYWXLMRPEUNP-UHFFFAOYSA-N 384.816 3.516 0 40 GHAB CN(CC(=O)Nc1ccc2c(c1)OCCO2)c1nc2c(Cl)cccc2s1 77196767 FMGKNCFAUOOAOS-UHFFFAOYSA-N 389.864 3.796 0 40 GHAB Cc1ccc(N2CCC[C@H](C(=O)Nc3nc4ccc(Cl)cc4s3)C2)nn1 90592231 VUWKKIVFQJTAGB-LBPRGKRZSA-N 387.896 3.903 0 40 GHAB Cc1ccc(C(=O)N2C[C@H](C(=O)Nc3cccc(F)c3)C3(CCOCC3)C2)cc1 96078660 GTFKXLNHBAPTJZ-HXUWFJFHSA-N 396.462 3.642 0 40 GHAB COc1cccc(C(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](CNC(C)=O)CC2)c1 257277284 NXFHEJVICVFVAV-SPEDKVCISA-N 395.503 3.504 0 40 GHAB O=C(Cc1c(F)cccc1Cl)NC[C@](O)(c1ccsc1)c1ccco1 253473876 ZKPQECJARJSDJV-SFHVURJKSA-N 379.840 3.728 0 40 GHAB CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ncccn1 257279495 OGXBUTHLEFYYDZ-FPFQSLQCSA-N 390.531 3.565 0 40 GHAB COCCOCC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257228716 FUYKWVWZPWUVJJ-SFHVURJKSA-N 392.883 3.635 0 40 GHAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)c1ccc(OC(F)(F)F)cc1 253472260 KXZZNRRQKDMSPU-KRWDZBQOSA-N 397.374 3.906 0 40 GHAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc2c(C)cccc2[nH]1 257283724 OZPIUEOLZAUPCX-ZERUQHPESA-N 379.504 3.870 0 40 GHAB C[C@]1(c2ncc(Cc3ccccc3)o2)CCCN(C(=O)c2ccc(O)nc2)C1 257239967 HRPKLDXLPAPYFH-QFIPXVFZSA-N 377.444 3.560 0 40 GHAB CCc1nccn1CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257219206 DGAGHYSJCIDXBH-KRWDZBQOSA-N 396.466 3.570 0 40 GHAB CC1(N)CCN(C(=O)c2cccnc2Oc2cccc(Br)c2)CC1 646995842 UDKFZLFNZXJFAP-UHFFFAOYSA-N 390.281 3.590 0 40 GHAB C[C@@H](O)[C@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1ccccc1F 650360116 PPQMWYZLKJHHHI-PXAZEXFGSA-N 384.373 3.808 0 40 GHAB O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccc(F)c(F)c1 96121490 OODUPFBCVFOXAI-UHFFFAOYSA-N 382.414 3.532 0 40 GHAB COCC(=O)N1CCCc2ccc(NC(=O)/C=C/c3ccc(SC)cc3)cc21 96120154 XABSZYIGRTXDFF-KPKJPENVSA-N 396.512 3.986 0 40 GHAB C[C@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1 653890192 BFTKDWYIRJGJCA-ZDUSSCGKSA-N 386.459 3.783 0 40 GHAB O=C(N1CC2(C[C@H](OCc3cccnc3)CS2)C1)C12CC3CC(CC(C3)C1)C2 575403059 IEJBCEXVERGAPT-QPCUBCJCSA-N 398.572 3.901 0 40 GHAB Cc1cc(C)c2nc(O)c(CNC[C@H](O)COc3ccc(C)c(C)c3)cc2c1 585283793 HREGKUAZIQNRKM-FQEVSTJZSA-N 380.488 3.704 0 40 GHAB Cc1nn(C)c2ncc(S(=O)(=O)N3Cc4ccccc4-c4ccccc43)cc12 585146054 WMILAJVUAPEKEU-UHFFFAOYSA-N 390.468 3.653 0 40 GHAB COc1ccc(-c2noc([C@H]3CCN(Cc4cccc(OC)c4OC)C3)n2)cc1 585172037 CBXORDLPEJAPDG-KRWDZBQOSA-N 395.459 3.752 0 40 GHAB CCCCc1noc(CN2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)n1 69951350 WTCHZIZZWMVEOH-LJQANCHMSA-N 388.556 3.805 0 40 GHAB Cc1cccc(C2=N/C(=C/c3cccc(I)c3)C(=O)O2)c1 1028060 DJPUVXDXAHPREP-XNTDXEJSSA-N 389.192 3.944 0 40 GHAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc4c(c3)CCC4)c(C)n2n1 5279446 QFRRLGRUZAOFBZ-UHFFFAOYSA-N 381.505 3.523 0 40 GHAB O=C1C2=N[C@@H]3C(c4ccccc4)=NN=C(c4ccccc4)[C@H]3N=C2c2ccccc21 5682151 MDOFTYIVXZNKGC-DHIUTWEWSA-N 388.430 3.771 0 40 GHAB CCOc1ccc(C(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)cc1 12186937 OWGJIMRITZJLER-UHFFFAOYSA-N 378.432 3.550 0 40 GHAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccccc1C(=O)NC1CC1 12553429 ANZCZVVVOFMNCT-UHFFFAOYSA-N 377.366 3.648 0 40 GHAB COc1ccc(Oc2c(C)oc3cc(OCC(=O)NC4CC4)ccc3c2=O)cc1 13682225 NPNBFDIITHFTMX-UHFFFAOYSA-N 395.411 3.560 0 40 GHAB O[C@@H](SCCS[C@@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 18258618 OZOHNCXPOOYEJV-ZXZARUISSA-N 388.980 3.830 0 40 GHAB COc1cccc(-c2cnc(NC[C@]3(C)CCCO3)nc2-c2nccn2C)c1 19461270 ZJQREJSFTSPZEI-NRFANRHFSA-N 379.464 3.534 0 40 GHAB CCSc1ncc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cn1 19520532 RQIQQLLHRUPOGM-UHFFFAOYSA-N 398.580 3.661 0 40 GHAB COc1ccc(CN2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)c(F)c1 19551767 QCLHTFVPTCGQQD-CYBMUJFWSA-N 391.397 3.589 0 40 GHAB Cc1c(C(=O)N2CCc3nc([C@H]4CCCN4C)ncc3C2)oc2ccc(F)cc12 19565611 GFMUPOUQAKBYIE-GOSISDBHSA-N 394.450 3.636 0 40 GHAB Cc1cc(C)n(C[C@@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)n1 19573562 XPAQDHBWVKKGED-DNVCBOLYSA-N 391.519 3.673 0 40 GHAB CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)[nH]n2)c1C 19660960 GGWYSTDTEOQCSL-GOSISDBHSA-N 393.491 3.942 0 40 GHAB CN1CCN(Cc2ccc(-c3ccccc3)cc2)C[C@H](Cc2ccccn2)C1=O 19696812 IFQVQYWUZKSAAK-QHCPKHFHSA-N 385.511 3.882 0 40 GHAB Cn1cc(CCNC(=O)c2ccccc2Cn2cccn2)c2cc(F)ccc21 19719195 RCPNYBUKCJXSDN-UHFFFAOYSA-N 376.435 3.535 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)cc2N1 19574611 MHRZZLXTCCIWSB-XJKCOSOUSA-N 393.413 3.605 0 40 GHAB CCC[C@H](C)NC(=O)COC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 2648213 KJQHUZOFQZNXAK-AWEZNQCLSA-N 399.516 3.916 0 40 GHAB COc1ccc(-c2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)o2)cc1 4288511 CFFBZIAMLULNGF-NSHDSACASA-N 380.429 3.835 0 40 GHAB COC(=O)c1cc(CSCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)oc1C 23414396 LDBZNEWJGLDMFZ-UHFFFAOYSA-N 399.371 3.568 0 40 GHAB CN1N=C(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)CCC1=O 25302274 GSTKBZDCDXPBCE-UHFFFAOYSA-N 389.814 3.605 0 40 GHAB Cc1sc2nc(CN3CCOCC3)nc(NCCc3ccccc3)c2c1C 25435762 PGEXRZOFWHUZSG-UHFFFAOYSA-N 382.533 3.795 0 40 GHAB Nc1nc(SCc2cccc3ccccc23)[nH]c(=O)c1NC(=O)c1ccco1 2712561 SILDIJJVNLMLOQ-UHFFFAOYSA-N 392.440 3.643 0 40 GHAB CSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1 4059399 XHXQNWVMOGYBDK-UHFFFAOYSA-N 382.533 3.822 0 40 GHAB COc1ccc2nc(N3CCN(C(=O)CCc4ccccc4)CC3)sc2c1 4583427 PDEYLUZORLRGFR-UHFFFAOYSA-N 381.501 3.586 0 40 GHAB COc1ccc(-c2ccc3nnc(SCC(=O)c4cccs4)n3n2)cc1 5167724 YZNQHTQGAOMXRI-UHFFFAOYSA-N 382.470 3.836 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)s1 8840856 JBYUZFSMIMOCCG-UHFFFAOYSA-N 378.519 3.793 0 40 GHAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N(C)C)cc1F 10333674 WSADSZRQHDFFLP-OAQYLSRUSA-N 393.462 3.645 0 40 GHAB CCOc1cc(C(=O)Nc2ccc3c(c2)CC(=O)N3C)cc(OCC)c1OCC 17307110 YHYIOSLEROTEQW-UHFFFAOYSA-N 398.459 3.654 0 40 GHAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1 40081510 PYUDIGYRNMNBMD-UHFFFAOYSA-N 382.407 3.674 0 40 GHAB Nc1nc(SCc2cccnc2)nn1C(=O)Nc1ccc(Cl)c(Cl)c1 20086047 LVABUKCZNDVHCT-UHFFFAOYSA-N 395.275 3.935 0 40 GHAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc2c(s1)CCC2 7982742 MNACCTZSMWHEMV-UHFFFAOYSA-N 386.517 3.581 0 40 GHAB COc1ccc(OCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)o2)cc1 876128 WSBPAFWPZNBYDM-KBPBESRZSA-N 391.493 3.539 0 40 GHAB COC(=O)CSc1nnc(CNc2c(C)cccc2C)n1-c1ccccc1 877807 OBZVPIOQCSQZIU-UHFFFAOYSA-N 382.489 3.761 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C 917330 UKLUCDQNNXQNAF-UHFFFAOYSA-N 387.486 3.813 0 40 GHAB O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(C(F)(F)F)c1 1465414 ZDZNZXVONIKULP-UHFFFAOYSA-N 393.770 3.931 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1cc(Cl)c2c(c1)OCCO2)c1ccsc1 31986816 ZHOUZHYDAQPYEJ-INIZCTEOSA-N 394.924 3.986 0 40 GHAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)C3CCC3)c3nnnn3c12 4877558 RJCOPJLWKBTFCW-UHFFFAOYSA-N 385.471 3.915 0 40 GHAB COc1cc(C(=O)Nc2ccccc2C)cc(I)c1OC 6302922 CKZJCYNPUVLOTH-UHFFFAOYSA-N 397.212 3.869 0 40 GHAB COc1ccccc1N(CC(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O 6479152 XWRSTJXOJNMLSJ-UHFFFAOYSA-N 390.505 3.532 0 40 GHAB COc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCC3)cc1 6736583 LDRPPJBSMQMOMD-UHFFFAOYSA-N 383.395 3.724 0 40 GHAB O=C(Cn1nnc(-c2ccsc2)n1)N[C@H](Cc1ccccc1)c1ccccc1 8000478 CFKRHKCJENMHNJ-LJQANCHMSA-N 389.484 3.502 0 40 GHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1 102093490 DDYBJACGNHZLCX-ZOUNZACVSA-N 396.668 3.810 0 40 GHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 8040849 BYFBTMDDQJCNTP-SFHVURJKSA-N 399.878 3.934 0 40 GHAB CCN(CC)C(=O)[C@H](Sc1nnnn1-c1cccc(F)c1)c1ccccc1 8401283 WHTHYIOJHQHAAI-QGZVFWFLSA-N 385.468 3.503 0 40 GHAB COc1ccc(CCNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)cc1 2637460 RINOYVRACFXNEF-NRFANRHFSA-N 382.504 3.507 0 40 GHAB Cc1ccc(C(=O)C2CCN(Cc3nc(=O)c4ccccc4[nH]3)CC2)c(C)c1 32825539 MCRPWPPCRODVAE-UHFFFAOYSA-N 375.472 3.635 0 40 GHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2cc(Cl)ccc2C)c1 8020356 WFMRJJNSZFCOJF-UHFFFAOYSA-N 387.896 3.972 0 40 GHAB COc1ccc(OC[C@H](O)CN(C)Cc2c(C(C)C)[nH]c3ncccc23)cc1 57762054 QRMFOXCNQJVINU-MRXNPFEDSA-N 383.492 3.567 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cc(F)cc(F)c3)n2)cc1C 41254969 WYCPTYPLNZAIJP-UHFFFAOYSA-N 397.425 3.512 0 40 GHAB COc1cccc(CN(C)C(=O)c2ccccc2SCC(=O)N2CCCC2)c1 32999573 GCPGEAOGGHSXTE-UHFFFAOYSA-N 398.528 3.682 0 40 GHAB CCCn1/c(=N/C(=O)c2ccccc2OC[C@H]2CCCO2)[nH]c2ccccc21 21843298 LBEJPSHJEDXQQC-MRXNPFEDSA-N 379.460 3.678 0 40 GHAB Cc1cc(C)n(-c2ccc(CNC(=O)N3CC[C@H](c4ccccc4)C3)cn2)n1 58209743 FHEKALHVVNVAIC-FQEVSTJZSA-N 375.476 3.583 0 40 GHAB Cc1c(C(=O)NCc2ccc(N3CCOCC3)nc2)oc2ccc(Cl)cc12 12224837 LIKSNDUHPCBXNK-UHFFFAOYSA-N 385.851 3.556 0 40 GHAB Cc1ccc2nc(CN3CCN([C@@H](C)c4ccccc4Cl)CC3)cc(=O)n2c1 22934126 XONCSNPZGBUYNL-KRWDZBQOSA-N 396.922 3.535 0 40 GHAB CCN(Cc1ccc(OC)cc1)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 54176438 NVZMINIMJMYDBW-UHFFFAOYSA-N 391.397 3.712 0 40 GHAB Cc1ccccc1C(=O)Oc1ccc2cc(C(=O)NCC(C)C)c(=O)oc2c1 941574 QUCWZXVGONYHLJ-UHFFFAOYSA-N 379.412 3.706 0 40 GHAB COc1ccc(C(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 948682 XILIPNFXDWMRAS-UHFFFAOYSA-N 380.469 3.886 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3c(C)noc3C)cc2)cc1C 12557192 YJCJHERIRVPNSU-UHFFFAOYSA-N 399.472 3.961 0 40 GHAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(-n2ccnc2)cc1 12541430 ROCAXSGTMCURGV-UHFFFAOYSA-N 388.393 3.962 0 40 GHAB O=c1c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc2n1OCc1ccccc1 1249294 NGIYDHXRFDCBEF-UHFFFAOYSA-N 378.815 3.584 0 40 GHAB Cc1cccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)c1C 24768444 ZZFGKFNJWQTMAO-QHCPKHFHSA-N 391.471 3.629 0 40 GHAB COc1ccc(-c2noc(C[C@@](O)(c3ccccc3)C(F)(F)F)n2)cc1OC 24978978 SDNNTRRXWFXRGP-GOSISDBHSA-N 394.349 3.746 0 40 GHAB O=S(=O)(Cc1cc(Cl)cc2c1OCOC2)c1ccc2ccccc2n1 47939356 IHZCIYJPCGFHOS-UHFFFAOYSA-N 375.833 3.729 0 40 GHAB COc1ccccc1N1CCN(C[C@H](O)c2ccccc2C(F)(F)F)CC1 58380245 RBZVMDSNUOTCTO-SFHVURJKSA-N 380.410 3.570 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)CCc3c[nH]c4ccccc34)sc2c1 3388628 ZBOUAVSKFRKEKE-UHFFFAOYSA-N 399.497 3.752 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 28293700 UWYDAAGWPTUNRQ-KRWDZBQOSA-N 379.460 3.963 0 40 GHAB O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1ccc2c(c1)OCO2 3372313 YHSXDLSKFIIUMZ-UHFFFAOYSA-N 398.440 3.530 0 40 GHAB CC(C)n1ncc2c(C(=O)NCCOc3ccccc3F)cc(C3CC3)nc21 8230222 ZWOWYCFYSHMUQK-UHFFFAOYSA-N 382.439 3.838 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2N2CCOCC2)c(C)c1 12733673 OOAIIQJHCBSOGA-IBGZPJMESA-N 381.520 3.599 0 40 GHAB O=C(Cc1ccc(Cl)cc1)NCc1cccc(NC(=O)c2ccncc2)c1 48366363 JGBNZFKMWUDIAC-UHFFFAOYSA-N 379.847 3.846 0 40 GHAB O=C(Cn1cnc2ccsc2c1=O)c1ccc(NC(=O)c2ccccc2)cc1 12872059 YXRYVULAEIGLIT-UHFFFAOYSA-N 389.436 3.593 0 40 GHAB O=c1c2ccc(Cl)cc2ncn1C[C@H](O)COc1ccc(Cl)cc1Cl 12877555 LPDRCRAEHWSTKD-LBPRGKRZSA-N 399.661 3.797 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)c3cc(C4CC4)nc4onc(C)c34)ccc21 12923678 GASODPLBFKXDLH-UHFFFAOYSA-N 376.416 3.570 0 40 GHAB O=C(CN1CCCCC1)Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1 4053840 RJAPIRANGILZMG-UHFFFAOYSA-N 396.510 3.577 0 40 GHAB Cc1nc(S[C@@H](C)C(=O)Nc2cccc(F)c2)n(C[C@H]2CCCO2)c1C 18596379 QDBZVKUXSRQLFA-WMLDXEAASA-N 377.485 3.937 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(CN3CCCCC3)cc2)cc1 14068076 JGNBMSISFLFYGG-UHFFFAOYSA-N 379.504 3.692 0 40 GHAB CCC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)cc1 6459633 PRISQRUOPTTWES-UHFFFAOYSA-N 384.436 3.934 0 40 GHAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1cccc(Cl)c1)N2c1ccccc1 6672125 SHWYUJWGMJVHAW-DLBZAZTESA-N 392.933 3.615 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C 4778475 OIXIWDZSEKCHAH-TZWRJOPASA-N 393.616 3.724 0 40 GHAB O=S(=O)(c1ccc(SCCOc2ccc(F)cc2)nc1)N1CCCCC1 5634855 AQBNIQXKAZDVRM-UHFFFAOYSA-N 396.509 3.566 0 40 GHAB Cc1cc(NC(=O)Cn2c(=O)sc3ccccc32)ccc1Br 4875771 AAOQRSIKMWYEGZ-UHFFFAOYSA-N 377.263 3.773 0 40 GHAB COc1cc(NC(=O)[C@H](C)OC(=O)c2cccc(-n3cccc3)c2)cc(OC)c1 18025119 VWXQJGSEDLFPJK-HNNXBMFYSA-N 394.427 3.679 0 40 GHAB Cc1cc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)[nH]n1 67207643 HGPZDJUMODXYBS-UHFFFAOYSA-N 382.811 3.529 0 40 GHAB CN(c1ccsc1C(=O)NC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 67245607 RZNAEAPTPRQNPZ-UHFFFAOYSA-N 398.937 3.899 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCCO3)o1 7193693 JNYGWUUWHZVRIH-UHFFFAOYSA-N 387.417 3.530 0 40 GHAB O[C@@H](CSc1nnc(-c2ccncc2)n1CC(F)(F)F)c1ccccc1F 67808357 UVEPBLXJEUCVTN-AWEZNQCLSA-N 398.385 3.867 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccc(Br)c1 7406358 FNNDUOWODLAMCU-MRXNPFEDSA-N 377.282 3.999 0 40 GHAB Cc1nc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n(C2CCCC2)c1C 8778610 VQWSXMVBEIJORA-UHFFFAOYSA-N 385.493 3.515 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cc(C)ccc2OC)cc1 7736204 VKXZKQBYYQIPQD-QGZVFWFLSA-N 390.549 3.885 0 40 GHAB COc1cccc(C2=N/C(=C/c3ccc(OC)c(Br)c3)C(=O)O2)c1 96635084 AFHDEULGFYHEGX-OQLLNIDSSA-N 388.217 3.811 0 40 GHAB CC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1 9050736 FBOKRKVRVJZVLE-UHFFFAOYSA-N 383.425 3.708 0 40 GHAB CC(C)c1ccc(S(=O)(=O)N[C@H](c2ccccc2F)c2nccn2C)cc1 9116006 IMXYEQMSELBYBO-LJQANCHMSA-N 387.480 3.751 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(C)c2)cc1 9237318 NDOZLXRTFRSSJG-ROUUACIJSA-N 379.489 3.601 0 40 GHAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCCCC1 9320562 CWDJWCBVCDJPMO-UHFFFAOYSA-N 379.503 3.685 0 40 GHAB CSc1ccccc1NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 9338686 LOQRQLBFXRHHFV-UHFFFAOYSA-N 384.910 3.516 0 40 GHAB Fc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1Br 9480998 DSMNEEYHEOYQQG-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB CCN(CC1CCN(c2ccccn2)CC1)C(=O)Cc1ccc2c(c1)CCC2 72303660 XXELKQDVEYZCKW-UHFFFAOYSA-N 377.532 3.878 0 40 GHAB O=C(c1ccc(Cn2ccnc2)o1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 72429175 KGEIUXOSNSTLHX-UHFFFAOYSA-N 380.835 3.858 0 40 GHAB Cc1nc(CCC(=O)NC[C@H](CCO)c2ccccc2)oc1-c1ccccc1 79066996 SULWCCRKZYIMNC-FQEVSTJZSA-N 378.472 3.865 0 40 GHAB C[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1ccccc1OC(F)F 95462685 JOSYNDLKTXYUFD-UYZZBQRDSA-N 396.459 3.703 0 40 GHAB Cc1cc(C)cc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 20493585 OOFZYKCEISQLAW-GOSISDBHSA-N 388.533 3.564 0 40 GHAB COc1ccc([C@@H](C)NC(=O)N2CCN(C3CCCCC3)CC2)c(C)c1OC 513402887 OGWWVVWIZPYZMK-QGZVFWFLSA-N 389.540 3.733 0 40 GHAB O=C(C[C@H](c1ccsc1)n1cccc1)N1CCC[C@@H]1c1nnc2ccccn12 524735599 MMXHULVSPGTVEG-QZTJIDSGSA-N 391.500 3.936 0 40 GHAB CC(C)c1nccn1-c1cncc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 72378394 PZNMTZFTWJEOJV-GOSISDBHSA-N 379.439 3.902 0 40 GHAB CC(=O)c1cnc2sc(C(=O)NCc3ccc(CN(C)C)cc3)c(C)c2c1 36830554 VZLQDRNQNUBRIH-UHFFFAOYSA-N 381.501 3.799 0 40 GHAB O=C(Nc1nccc2sccc12)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1 566634515 IBJWNQJPFMZLBD-QFBILLFUSA-N 392.484 3.772 0 40 GHAB COc1ccc(Nc2nc(C(=O)Nc3ncc(C)s3)cs2)cc1OC 38582146 DAADKPFLHBGRBJ-UHFFFAOYSA-N 376.463 3.921 0 40 GHAB CC(=O)N1CCC(N2CCC[C@H](c3cccc(Cc4ccccc4)n3)C2)CC1 72350199 HTEDBJHAYWOEID-NRFANRHFSA-N 377.532 3.863 0 40 GHAB C[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc2c(c1)OCCO2 222743728 AOPIEVZXAIXTGA-LBPRGKRZSA-N 376.250 3.640 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)cc1 225494784 KXPSNQOMXLLLBN-IBGZPJMESA-N 382.504 3.624 0 40 GHAB CC(C)c1nnc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)s1 40288377 XVHWTMOORQATTN-UHFFFAOYSA-N 391.547 3.886 0 40 GHAB COc1ccc(-c2noc(CNC(=O)COc3cc(C)ccc3C(C)C)n2)cc1 224724752 RIBWDPDRYUBABI-UHFFFAOYSA-N 395.459 3.872 0 40 GHAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccnc(O[C@@H]2CCSC2)c1 225723158 DYKPVDWCNVCBEN-OAHLLOKOSA-N 398.406 3.795 0 40 GHAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 224300265 JPZZWFCTSQPFET-UHFFFAOYSA-N 388.471 3.849 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1 222912402 SNYDUCQQZPUSRC-MRXNPFEDSA-N 386.467 3.524 0 40 GHAB COc1cccc(-c2cnc3n2CCC32CCN(C(=O)c3cccnc3)CC2)c1 96263423 PPFGJVJPTPFQSO-UHFFFAOYSA-N 388.471 3.531 0 40 GHAB Cc1ccccc1CCC(=O)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96099580 LHRMMPYIYHJOJO-RLAPIPATSA-N 397.540 3.924 0 40 GHAB Cc1cc(-c2nc(C)c[nH]2)nc(CC2CCN(C(=O)Cc3cccs3)CC2)n1 257340417 ZFYYNNBICQUQAQ-UHFFFAOYSA-N 395.532 3.569 0 40 GHAB COc1ccccc1CCCNc1cc(-c2cc(C(C)(C)C)nn2C)nc(N)n1 257257043 KNWGLKIWTMWUNN-UHFFFAOYSA-N 394.523 3.810 0 40 GHAB CCC1(COC(OCC2(CC)COCOC2)[C@@H]2CC=CCC2)COCOC1 255190349 WRQCLKNQCCQFNO-GOSISDBHSA-N 384.513 3.503 0 40 GHAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1ccccc1Br 253473628 WVBUTFLTXINRSA-KRWDZBQOSA-N 392.274 3.770 0 40 GHAB FC(F)(F)c1nc(-c2ccc([C@@H]3CCCN(Cc4cccnc4)C3)nc2)no1 585289050 CIIOCLKVIQOWGG-OAHLLOKOSA-N 389.381 3.925 0 40 GHAB CC(C)(C)[C@H]1CC[C@H](N2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)CC1 585284910 AQKXXZHWIYVFQP-SJJRHLGGSA-N 397.506 3.746 0 40 GHAB CCCc1nc(NC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)sc1CC 56003365 YCCMIBWADQLHAT-NSHDSACASA-N 396.538 3.653 0 40 GHAB O=C1CCCCN1c1cccc(CNC(=O)N2CCC[C@@H]2c2ccncc2)c1 56852160 PEATURIRXGNFGP-HXUWFJFHSA-N 378.476 3.645 0 40 GHAB CCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN(CC)CC4)cc3)cc2c1 72396184 DRSKGLRJSHTQNM-UHFFFAOYSA-N 390.531 3.845 0 40 GHAB COc1ccccc1CN(C)C(=O)c1cccc(I)c1 3371896 VPDSJCRUUCLNIM-UHFFFAOYSA-N 381.213 3.572 0 40 GHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](COc2ccncc2)C1 1775970638 HFNUWGDENUIVAS-CQSZACIVSA-N 380.366 3.911 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(N(C)C)c1 5200228 BPHYZIWTYZVFKH-UHFFFAOYSA-N 380.275 3.770 0 40 GHAB COc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2cccs2)cc1 5002125 ZVDZLAPEGMRNLI-UHFFFAOYSA-N 380.429 3.909 0 40 GHAB CCOC(=O)Cc1csc(SCC(=O)N[C@@H](c2ccccc2)C(C)C)n1 11646023 YATWTSXIAGTCGO-GOSISDBHSA-N 392.546 3.854 0 40 GHAB O=C(CN1[C@H]2CC[C@@H]1CC(O)(c1ccco1)C2)Nc1ccccc1C(F)(F)F 12114381 GKKWZHNUHGVINW-FSWDVZBNSA-N 394.393 3.752 0 40 GHAB CC(C)Oc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)cc1 12122032 PHLSTONNTKIDIB-UHFFFAOYSA-N 376.460 3.590 0 40 GHAB O=C(c1cc(-c2cccs2)n[nH]1)N1C[C@H]2CC[C@](O)(c3ccccc3F)[C@H]2C1 12123053 LPVIYWWSEXDGRN-CGSMKXTHSA-N 397.475 3.647 0 40 GHAB c1cncc(CN(CCCN2CCOCC2)Cc2cccc3ccccc23)c1 13569038 XPALUIURMKGPEY-UHFFFAOYSA-N 375.516 3.959 0 40 GHAB CC[C@H](C(=O)Nc1cccc(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711925 UKMIWAYGDDBAIM-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc3c(c2)OCCO3)cc1 17304722 HEUJCSCDULCPRM-UHFFFAOYSA-N 396.472 3.716 0 40 GHAB CC(C)Oc1ccc(CN2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 19450570 MICKLBNNBLSUCG-GOSISDBHSA-N 390.487 3.609 0 40 GHAB COc1cccc([C@@H]2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C[C@H]2O)c1 4984611 TZKUEONYTUSAIP-HEKNWVKJSA-N 384.520 3.524 0 40 GHAB CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)c1cccc(F)c1)c1ccccc1O2 12274973 JYPVRVGEFMOJOY-WMZHIEFXSA-N 396.462 3.851 0 40 GHAB Cc1cc(N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]3C2)nc(C2CC2)n1 1888855771 HWPSRTKQFWNEHF-GJZGRUSLSA-N 389.425 3.649 0 40 GHAB Cc1cc(C)cc(C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)c1 4377176 OYAKEGVZFQUXIC-UHFFFAOYSA-N 382.441 3.867 0 40 GHAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)cc3)n2)cc1 12441018 YYCMBGNENDKFMK-UHFFFAOYSA-N 377.444 3.646 0 40 GHAB N[C@H](CO)c1cccc(-c2cccc(COc3ccccc3CC(=O)O)c2)c1 1772820593 XHLXBWRISOPXQB-OAQYLSRUSA-N 377.440 3.552 0 40 GHAB CCOc1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3)n2)cc1 23138016 JJQVPEPXOKHBCX-UHFFFAOYSA-N 395.484 3.642 0 40 GHAB COC(=O)c1ccccc1NC(=O)Cc1cc(-c2ccc3c(c2)C[C@H](C)O3)on1 38498824 RUTQQQHZRKYNMW-ZDUSSCGKSA-N 392.411 3.633 0 40 GHAB C[C@H](C(=O)Nc1nc(-c2ccco2)cs1)n1nc(-c2ccccc2)ccc1=O 44395847 QVCMMBZRLCIDKH-CYBMUJFWSA-N 392.440 3.827 0 40 GHAB CCc1nnc2ccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)cn12 49408214 YILXWKXFPHQTBT-UHFFFAOYSA-N 392.484 3.687 0 40 GHAB CCCCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 2413286 ADYYPCXEMBFGHJ-DCXXXQMHSA-N 389.879 3.750 0 40 GHAB O=S(=O)(c1ccc(CN2CCC[C@@H]2c2cccc(F)c2)o1)N1CCCC1 40153840 RCHSYGYSIBFMNG-GOSISDBHSA-N 378.469 3.540 0 40 GHAB Cn1ccnc1[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1F 30646941 PJJGRUVKBIIUNA-NRFANRHFSA-N 375.451 3.683 0 40 GHAB CCN(CC(=O)Nc1ccc(OC)c(Cl)c1)Cc1ccc2c(c1)OCO2 11351623 VKMOXWGRKZLJQM-UHFFFAOYSA-N 376.840 3.538 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 7843838 OAAVPJADNGIXBR-UHFFFAOYSA-N 379.508 3.543 0 40 GHAB O=S(=O)(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(Cl)cc1 31721817 WXFICDAHTAHESB-UHFFFAOYSA-N 399.921 3.857 0 40 GHAB CCCN1C(=O)[C@](O)(CC(=O)c2ccc(Br)s2)c2ccccc21 2493052 AXWBURWKMREVMU-KRWDZBQOSA-N 394.290 3.728 0 40 GHAB C[C@H]1CCc2c(sc3ncn(C[C@H](O)c4ccc(F)c(F)c4)c(=O)c23)C1 51289817 OJJGKRZRJXTIQP-BONVTDFDSA-N 376.428 3.595 0 40 GHAB CC(=O)c1sc(NC(=O)c2ccccc2I)nc1C 3167357 UWYDJPOUYGKDHS-UHFFFAOYSA-N 386.214 3.511 0 40 GHAB COc1ccc(C(=O)Nc2ccc(C)c(I)c2)cc1OC 3422929 PAFHZRPPIOYYHT-UHFFFAOYSA-N 397.212 3.869 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(F)cc3)o2)cc1 3459042 QSBCNVMAXZBPQX-GFCCVEGCSA-N 387.436 3.854 0 40 GHAB COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccccc1 4161241 WYGFHHMJUVOSPR-UHFFFAOYSA-N 389.521 3.950 0 40 GHAB Cc1ccc(-n2nnnc2CNC(=O)c2ccccc2SC(F)F)cc1C 4376029 FRNUVDAZSQCQNA-UHFFFAOYSA-N 389.431 3.524 0 40 GHAB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc1 6629986 VCTBURARVUKYFL-GZTJUZNOSA-N 390.505 3.768 0 40 GHAB COc1ccc(OC)c(COC(=O)c2cc(OC)ccc2Br)c1 7743460 CUUSGINVGYVIMO-UHFFFAOYSA-N 381.222 3.832 0 40 GHAB O=C(O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 7882000 QTDFELTUUSBFLH-NSHDSACASA-N 393.226 3.683 0 40 GHAB Cc1noc(C)c1CN(C)Cc1nnc(-c2c(-c3ccccc3)noc2C)o1 46060428 SCADSIGYVHZQFN-UHFFFAOYSA-N 379.420 3.937 0 40 GHAB COc1cc(NCCOc2ccc(Br)cc2)cc(OC)c1OC 58061444 NBGXOCANIRXBSS-UHFFFAOYSA-N 382.254 3.966 0 40 GHAB COc1ccccc1CNC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 7909434 ATAGRDXEOASLIV-QGZVFWFLSA-N 381.501 3.758 0 40 GHAB CC(C)NC(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2cccs2)CC1 32913142 SBGMESDBHLIQJL-LJQANCHMSA-N 385.533 3.784 0 40 GHAB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1ccc(F)c(F)c1F 2625415 UXMVSSHWIJQMTP-UHFFFAOYSA-N 385.363 3.630 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)o1 29882816 MXVPEPWJCVPQEY-SMPOKDMHSA-N 380.488 3.565 0 40 GHAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCO[C@@H]2CCCC[C@H]21 46491071 RGGCYJCWPLZXTJ-IAGOWNOFSA-N 389.883 3.883 0 40 GHAB C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C)C(N)=O 9944412 JHNJVTVFKSMOJN-ZYHUDNBSSA-N 378.567 3.661 0 40 GHAB C[C@@H](CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccccc1 22832717 NHRVBNQURRAXTF-LAUBAEHRSA-N 388.467 3.767 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4ccccc4)nn32)c(OC)c1 20732233 XSLPQIKYBXTXLL-KRWDZBQOSA-N 392.415 3.739 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2OCc2ccccc2)NC(=O)N1 823454 MSCGGBDPBZXJNZ-FQEVSTJZSA-N 380.444 3.845 0 40 GHAB CC(C)c1n[nH]c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)n1 23223344 HKTRTXIGBWHTMX-ZDUSSCGKSA-N 385.449 3.584 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CCOCC3)CC2)n1 100738856 KVSZNLWPEBWZSD-IZAXUBKRSA-N 394.519 3.664 0 40 GHAB O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(CN2CCOCC2)cc1 23731371 FTAOPERKGBIBSN-UHFFFAOYSA-N 382.529 3.738 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1 34200975 KVVJJKDDOSICOH-ZDUSSCGKSA-N 388.876 3.799 0 40 GHAB COC(=O)C[C@@H](NC(=O)CCc1nc2ccccc2s1)c1ccc(C)cc1 24490233 CBZFLULJFCKVPY-QGZVFWFLSA-N 382.485 3.958 0 40 GHAB O=S(=O)(c1ccc(F)cc1F)N1CCC[C@@H](c2nc3ccccc3o2)C1 24683600 HUNWVBAAVSIUEC-GFCCVEGCSA-N 378.400 3.674 0 40 GHAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1NS(C)(=O)=O 24893224 GMANRTOIGOYJHK-UHFFFAOYSA-N 389.864 3.820 0 40 GHAB COC(=O)c1ccccc1NC(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl 24024318 OSDKKRLAMZALHM-MDZDMXLPSA-N 375.856 3.939 0 40 GHAB O=C(CSCc1cc(-c2ccc(Cl)cc2Cl)no1)N1CCOCC1 12552868 PSEZROXPIPRNQJ-UHFFFAOYSA-N 387.288 3.740 0 40 GHAB CC(=O)Nc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccs2)cc1 24973534 BWOCIWFQOCTEKW-UHFFFAOYSA-N 393.468 3.889 0 40 GHAB Cc1cc(N(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)n2ncnc2n1 12528408 PUFFDGXHORXDBJ-INIZCTEOSA-N 383.459 3.969 0 40 GHAB Cc1noc(C)c1CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 25381409 IIVPEOYBWDFXDM-UHFFFAOYSA-N 389.499 3.768 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 25436821 HGUMFCCSAYZACJ-VMPITWQZSA-N 376.500 3.816 0 40 GHAB O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1cccc(-n2cccn2)c1 57861885 RIDGOIAHVLMLBU-UHFFFAOYSA-N 390.491 3.969 0 40 GHAB COc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1Cl 3235447 ZJZABNYIGARONU-UHFFFAOYSA-N 384.215 3.563 0 40 GHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1csc(-c2cnn(C)c2)n1 44851454 VCABINQRWKBNCE-UHFFFAOYSA-N 380.395 3.835 0 40 GHAB COC(=O)c1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2C)cc1 10233095 YBUNESXHLCSCLU-QGZVFWFLSA-N 397.814 3.716 0 40 GHAB CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 2147708 IMRDFZKALHPBON-ZDUSSCGKSA-N 375.421 3.619 0 40 GHAB biogenic NC(=O)N[C@H](CC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1 10384011 ZPZJEWAGHHNPGX-SJORKVTESA-N 394.500 3.760 0 40 GHAB O=C1CCCN1c1ccc(OCC(=O)N2CCCc3cccc(Cl)c32)cc1 58327474 QXMHGOOALGIWIS-UHFFFAOYSA-N 384.863 3.825 0 40 GHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccnc(Cl)c1 58365912 XTAYBYKHZQJSFG-UHFFFAOYSA-N 377.831 3.731 0 40 GHAB O=C(Cc1csc(-c2ccccn2)n1)NCc1coc(-c2cccs2)n1 10878352 ILWHCNQLXRVWPJ-UHFFFAOYSA-N 382.470 3.781 0 40 GHAB O=C(c1ccccc1)N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 3363080 JXNCOAULFNMKPP-UHFFFAOYSA-N 395.466 3.654 0 40 GHAB CC(C)CN(C(=O)/C=C/c1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 12910043 ODVDPJDCDXVLGY-YBJDMEARSA-N 390.332 3.678 0 40 GHAB Cc1ccc(-n2nnnc2SCc2cc(=O)oc3cc(C)c(C)cc23)cc1 8282747 CNZJABMJIHRNAK-UHFFFAOYSA-N 378.457 3.986 0 40 GHAB COC(=O)c1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 4000074 WOINFXSCELYFEA-HJSOSKBTSA-N 376.456 3.500 0 40 GHAB biogenic CCCCc1c(O)[n+](-c2ccc(C)cc2)c2ccc(-c3ccccc3)nn2c1=O 4114555 KGIVYZLGHDSXKB-UHFFFAOYSA-O 386.475 3.995 0 40 GHAB C[C@@H]1CCCCN1C(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 6087578 GYACZIBAMRBXMW-CYBMUJFWSA-N 385.464 3.665 0 40 GHAB O=S(=O)(Cc1ccccc1)Nc1nnc(COc2ccc(Cl)cc2)s1 6024068 NOHIETOKWPCHRV-UHFFFAOYSA-N 395.893 3.712 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Br)c(C)c1 5278979 VJVNEVMCFFJWDZ-UHFFFAOYSA-N 382.279 3.803 0 40 GHAB C[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccc(Cl)c(Cl)c1 14112450 FDIUYFPBLCRCJH-LLVKDONJSA-N 378.259 3.524 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCCCn1ccc2ccccc21 24178267 RITOAKMGQDDIMR-UHFFFAOYSA-N 375.472 3.517 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)OCc1csc(-c2ccc(F)cc2)n1 14242745 XWGMXEXPQNHMDQ-UHFFFAOYSA-N 391.445 3.710 0 40 GHAB COCCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc2ccccc21 6567129 BMTGEXUWWNQSIK-OWCLPIDISA-N 375.538 3.716 0 40 GHAB Cn1cc(CC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c2ccccc21 65851730 IDAMWMGLEGQTFE-UHFFFAOYSA-N 381.863 3.905 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(NC(=O)C2CC2)s1 14526274 LRWJHTWBDYRYFX-CYBMUJFWSA-N 395.488 3.511 0 40 GHAB O=Cc1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1 4723730 NAIXJGKAISDPKG-UHFFFAOYSA-N 375.627 3.683 0 40 GHAB CCn1c(SCC(=O)c2cc(C)c(OC)cc2C)nnc1-c1ccncc1 4736478 HULLJLDUMQILHX-UHFFFAOYSA-N 382.489 3.960 0 40 GHAB COc1cccc(CNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 4745615 XUOXADDSMWNPFO-UHFFFAOYSA-N 377.322 3.694 0 40 GHAB CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCCC3)c2c1C 6787624 TVNNMNUUCMGSRJ-UHFFFAOYSA-N 388.537 3.763 0 40 GHAB COc1ccc([C@H](CC(=O)Nc2nc3ccc(F)cc3s2)NC(C)=O)cc1 8704400 WJCZMHBXMJNSQS-INIZCTEOSA-N 387.436 3.650 0 40 GHAB O=C(Nc1ccccc1)C1CCN(C(=O)COc2ccc(F)cc2Cl)CC1 7073591 JXWOFBLNKTWORE-UHFFFAOYSA-N 390.842 3.735 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)c1 15421823 HQBHMYJBJLQOIK-UHFFFAOYSA-N 393.443 3.539 0 40 GHAB Cc1ccc(-n2nnnc2SC[C@H](O)COc2ccc(C(C)(C)C)cc2)cc1 7193825 FIYFJZMOWJIHLJ-GOSISDBHSA-N 398.532 3.800 0 40 GHAB COc1ccc(S(=O)(=O)N2CCc3cc4ccc(C)cc4nc32)cc1Cl 15841969 BZZJDBFSBUQFNP-UHFFFAOYSA-N 388.876 3.957 0 40 GHAB Cc1ccc2nc(CNc3cc(Cl)ccc3OC[C@@H]3CCCO3)cc(=O)n2c1 67959004 DGJRXLBMMJPRLI-KRWDZBQOSA-N 399.878 3.826 0 40 GHAB CCOc1ccc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1 7666932 XGIILDMDDFWNDS-UHFFFAOYSA-N 383.835 3.845 0 40 GHAB Cc1ccccc1[C@H](CC(=O)N(C1CC1)[C@H]1CCc2ccccc21)NC(N)=O 68379333 MCZVTBLTTYLXIQ-SFTDATJTSA-N 377.488 3.773 0 40 GHAB O=C1N=C(O)[C@@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1c1ccc(Cl)cc1 9089897 YMLQUSULRKRLFJ-UWJYYQICSA-N 395.846 3.975 0 40 GHAB COc1ccc2[nH]/c(=N/C(=O)c3cc(=O)c4ccc(C)c(C)c4o3)sc2c1 9111148 OXBPQHYIRPQDPP-UHFFFAOYSA-N 380.425 3.702 0 40 GHAB O=C(CCCc1nc(-c2cccnc2)no1)Nc1ccc(Br)cc1 19816446 OJMADQJRLYBACU-UHFFFAOYSA-N 387.237 3.856 0 40 GHAB COc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)c1 9530446 AUUYIVBZRSAHGC-KRWDZBQOSA-N 377.444 3.667 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1cccc(-n3nc(C)cc3C)c1)CC2 72403692 YBDREMPROXOEAP-UHFFFAOYSA-N 391.471 3.705 0 40 GHAB O[C@@H](COc1c(Cl)cccc1Cl)CN1CCN(Cc2ccccc2)CC1 84536066 ZGOMLYLEBNFYQV-QGZVFWFLSA-N 395.330 3.551 0 40 GHAB COc1ccc(-c2nnc(S[C@H]3CCCCC3=O)n2C[C@@H]2CCCO2)cc1 68735359 LXNYNEHXXIFULM-WMZOPIPTSA-N 387.505 3.737 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(N4CCCC4=O)c3)cc2)n1 61133967 QKPLLPCOLMECBV-UHFFFAOYSA-N 388.471 3.927 0 40 GHAB CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3nc(C)sc3c2)C1 408975347 AQEAMXVGFUDMIJ-AWEZNQCLSA-N 390.578 3.882 0 40 GHAB O=C(CCCOc1cccc2ccccc12)N1CCN(Cc2ccncc2)CC1 36392097 QAUYMUZDFMTLKM-UHFFFAOYSA-N 389.499 3.738 0 40 GHAB COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2ccc(F)cc2)cc1 32095318 MNIZCAFXCOSWFZ-KRWDZBQOSA-N 394.406 3.528 0 40 GHAB FC(F)(F)c1cc(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)[nH]n1 519668728 GSRCCKJSNLCVHX-CYBMUJFWSA-N 382.434 3.974 0 40 GHAB O[C@H](c1nccs1)c1ccccc1N1CCN(Cc2ccccc2F)CC1 72340477 AXRCUDCSAGIHQM-FQEVSTJZSA-N 383.492 3.686 0 40 GHAB Cn1cc(-c2ccccc2CNc2nc(O)c3cnn(-c4ccccc4)c3n2)cn1 534602991 WGAJQTCSCQAIJX-UHFFFAOYSA-N 397.442 3.534 0 40 GHAB Cc1nc2c3ccccc3nc(S[C@@H](C(=O)NC3CC3)c3ccccc3)n2n1 71818211 NEBDLOAHEKTDPP-GOSISDBHSA-N 389.484 3.698 0 40 GHAB Cc1ccc(NC(=O)c2sc3ncn(C[C@@H]4CCCO4)c(=O)c3c2C)cc1 35673328 ZXKRFXRCLNYCBA-HNNXBMFYSA-N 383.473 3.506 0 40 GHAB Fc1cccc(-c2cnc([C@H]3CCCCN3c3nccc(-n4cccn4)n3)[nH]2)c1 79017491 IYDOLXJWUMBIFO-GOSISDBHSA-N 389.438 3.923 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc(S(C)(=O)=O)cc1 219535943 MOMLOTYSYUNTOD-VQIMIIECSA-N 389.517 3.742 0 40 GHAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1cccc(C(F)(F)F)c1 36589886 FJXOENBANLNLIA-OAHLLOKOSA-N 391.349 3.824 0 40 GHAB COc1ccc(CCNC(=O)Cn2ccc3c(Br)cccc32)cc1 40287594 VXGKTWZEBKGHJG-UHFFFAOYSA-N 387.277 3.771 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(CC)cc1 225063628 XRLDRMORSUODTQ-LJQANCHMSA-N 396.531 3.614 0 40 GHAB COc1ccc(CCNC(=O)N2CCC[C@@H](COCc3ccccc3)C2)cc1 49031765 ZLSYONGOXXUSEE-OAQYLSRUSA-N 382.504 3.876 0 40 GHAB O=C([C@@H]1C[C@@]2(CO1)CN(Cc1ccc(F)cc1F)c1ccccc12)N1CCCC1 96143995 HDDSJGYVTBCVPG-GMAHTHKFSA-N 398.453 3.634 0 40 GHAB O=C(N[C@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1cccnc1 96090508 HMQUNZQNORWMFU-FQEVSTJZSA-N 377.488 3.580 0 40 GHAB CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(Cl)cc1Cl 242658634 CSWGWOYLCDMOOL-UHFFFAOYSA-N 393.336 3.598 0 40 GHAB C[C@H](NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1)c1ccc(F)cc1 245237744 UMIQUGUBAKCTMD-MAUKXSAKSA-N 376.497 3.746 0 40 GHAB Cc1cnc(CN(C)[C@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@@H]2O)cn1 257237985 HJCFUSYYMVUUEM-PJKILVJMSA-N 395.547 3.852 0 40 GHAB CCOc1ccccc1-c1cc(C(=O)N2CCC[C@]3(C)NCCCC[C@H]23)[nH]n1 257334765 YHHUIKFCTVASJF-UNMCSNQZSA-N 382.508 3.612 0 40 GHAB C[C@@H](c1nc(-c2ccnc(C(F)(F)F)c2)no1)n1ccc(C(F)(F)F)n1 632143980 IUJDVSPWBJLBRT-ZETCQYMHSA-N 377.248 3.975 0 40 GHAB CSc1ccccc1C(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2 96121495 PIGJQUQPLSPZFH-UHFFFAOYSA-N 392.528 3.976 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1 56945517 PLELKXNURJWMQL-OAQYLSRUSA-N 399.510 3.979 0 40 GHAB CN(CC(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12)CC(=O)N1CCCC1 57369577 NJDVDKVNZMCCCW-UHFFFAOYSA-N 393.462 3.711 0 40 GHAB CC(=O)c1c(C)cc(NC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)cc1C 1593632364 WGNPJUVTQALBOU-HOTGVXAUSA-N 381.476 3.767 0 40 GHAB O=C([C@@H](Sc1nncn1-c1ccccc1F)c1ccccc1)N1CCCC1 5278804 HZVXEZBATWEFMA-SFHVURJKSA-N 382.464 3.862 0 40 GHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)c1cccc(Cl)c1 12425809 ICXKFYPOOOLGDR-INIZCTEOSA-N 375.833 3.569 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C)ccc1OC 13581350 LZOAGJQXQCRIOO-UHFFFAOYSA-N 390.505 3.595 0 40 GHAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(O)cc3)c(O)n2)c(C)c1 16777407 VVYBLBVECLFHSO-UHFFFAOYSA-N 396.472 3.606 0 40 GHAB O=C(NC(=S)/N=c1\[nH]c2ccc(O)cc2s1)c1cccc(Cl)c1Cl 17081421 KGZZGWJQAIXJQI-UHFFFAOYSA-N 398.296 3.857 0 40 GHAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c(Cl)c1 17305738 IMQYRJMZVCSEJC-OAHLLOKOSA-N 383.883 3.861 0 40 GHAB Cc1nc(N2C[C@@H](C)C[C@@H](C)C2)c2nnn(Cc3c(F)cccc3Cl)c2n1 18100485 DYPVIGQOMZLGOM-TXEJJXNPSA-N 388.878 3.853 0 40 GHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)c1ccncc1 19017526 NDEVKKVOBRNUCM-BDTNDASRSA-N 395.478 3.620 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2ccccc2)on1 19121940 KLOBGIIWTKZEGJ-SFHVURJKSA-N 391.475 3.873 0 40 GHAB COc1ccc2c(CN[C@@H]3CCC(=O)N[C@H]3c3cc(F)cc(F)c3)c[nH]c2c1 19563133 PBZZURVNFIIUMW-NQIIRXRSSA-N 385.414 3.564 0 40 GHAB Cc1c(C(=O)Nc2ccccc2OCc2ccccn2)sc2nc[nH]c(=O)c12 19717813 TUAGCSXXGIINDN-UHFFFAOYSA-N 392.440 3.519 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)Nc3ccc(F)cc3)cc2c1 4231262 RSXFQCUSBONJJI-UHFFFAOYSA-N 397.450 3.646 0 40 GHAB O=C(c1ccc(N2CCOCC2)cc1)N1CCS[C@@H](c2cccs2)CC1 219521415 OFSMDBZFPFUKPR-LJQANCHMSA-N 388.558 3.905 0 40 GHAB Cc1cc(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)on1 12087454 RYYQHOCKGFIEQT-UHFFFAOYSA-N 381.480 3.861 0 40 GHAB COc1ccc(OC)c(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccc(C)cn2)c1 12135257 ARHVYINJRJKGID-LIMIJEPZSA-N 382.504 3.527 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4cccc(C)c4)[C@H]23)cc1 19235015 PVYUSVVLXZAALE-WXFUMESZSA-N 378.516 3.983 0 40 GHAB CC(C)Oc1ccc(C(=O)NCc2nnc3ccc(-c4cccs4)nn23)cc1 240104301 UPFDDZNXKFZHSR-UHFFFAOYSA-N 393.472 3.570 0 40 GHAB C=CC(=O)Nc1ccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)cc1 1545515276 WIRGUBKXCYPTDT-INIZCTEOSA-N 379.243 3.581 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(OC(F)(F)F)cc1 6100359 KLTAFKGDRCXPGR-UHFFFAOYSA-N 396.350 3.761 0 40 GHAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1cccs1)Nc1ccc(F)cc1 101114002 JAAOCRBKSKRIGQ-HKOYGPOVSA-N 394.431 3.711 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NC(=S)Nc1cccc(C(=O)O)c1 5898815 FGPRTLWTFUCJGW-UHFFFAOYSA-N 399.255 3.584 0 40 GHAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2cc(C)sc2C)cc1 40074228 VSPRDVHXRZBFTF-QUZONKQVSA-N 386.517 3.769 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)c3ccc(NC(N)=O)cc3)ccc2s1 40082906 QMNQJCISOTWEFJ-UHFFFAOYSA-N 383.429 3.821 0 40 GHAB Cc1c(-c2ccccc2)oc2c(C(=O)O[C@@H]3CCCCNC3=O)cccc2c1=O 40025107 XWXNKADZPALETJ-GOSISDBHSA-N 391.423 3.594 0 40 GHAB O=C(COC1CCCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 40140277 WRICWPMHHYUAMK-UHFFFAOYSA-N 386.414 3.830 0 40 GHAB CC1(C)Cc2nc(N3CCOc4ccc(Br)cc43)sc2C(=O)N1 40379556 HPDNQXLEZHOICG-UHFFFAOYSA-N 394.294 3.501 0 40 GHAB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1ccc(CN2CCCC2=O)cc1 11070312 DTZPNEBZVDFICT-UHFFFAOYSA-N 387.819 3.548 0 40 GHAB COc1ccc2cc(C)c3nnc(SCC(=O)N(C(C)C)C(C)C)n3c2c1 928443 DGZPLSFAHCMBKM-UHFFFAOYSA-N 386.521 3.937 0 40 GHAB O=C(COC(=O)c1ccccc1C(=O)OCC(F)(F)F)c1ccc(F)cc1 20494779 VRQZXEZEWMQTMG-UHFFFAOYSA-N 384.281 3.585 0 40 GHAB COc1ccc2cc(CN(Cc3ccccc3)C(=O)c3ccco3)c(=O)[nH]c2c1 4231077 NFUQWGRMGUFHPW-UHFFFAOYSA-N 388.423 3.972 0 40 GHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccc2)C12CCCC2 32100352 RIRWHSAVFSKAJJ-OAQYLSRUSA-N 392.499 3.502 0 40 GHAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NCc1ccc(OC(F)F)cc1 11837003 LQPHTSNJAIUOCZ-UHFFFAOYSA-N 380.416 3.936 0 40 GHAB CCCn1c(=O)n(CC(=O)N(C)Cc2ccc(Cl)s2)c2ccccc21 32207209 ILYNOMQHSLZQRQ-UHFFFAOYSA-N 377.897 3.587 0 40 GHAB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)N1CCc2ccccc2C1 10157596 JPZMQTAYRDSOOS-UHFFFAOYSA-N 385.427 3.868 0 40 GHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c1 8571320 YBCQMCNXXUONJC-GZTJUZNOSA-N 382.441 3.679 0 40 GHAB CCc1cc(C(=O)OCc2nc(N)nc(Nc3ccc(F)cc3)n2)sc1C 16666488 NTROGGHPFCAWHE-UHFFFAOYSA-N 387.440 3.626 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 32678957 OWLMGFBTWTUMQN-HNNXBMFYSA-N 391.471 3.810 0 40 GHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(NC(=O)c2ccco2)n1 32841869 KEBZBJUMXYTNNA-GFCCVEGCSA-N 387.436 3.890 0 40 GHAB CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(NC(C)=O)cc1)c1ccccc1 32902459 QRLPIBVYPPUYPH-FOYQMUPJSA-N 379.504 3.858 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)N2c3ccccc3C[C@H]2C)c(OC)c1 37205264 VWEANBTXIRWGNR-IIBYNOLFSA-N 380.488 3.819 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3sccc23)c(Cl)c1 103002922 NUKIYMQOQZMRNB-HNNXBMFYSA-N 388.880 3.961 0 40 GHAB CCOc1ncccc1C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 22298789 YMLQDFBHLBQFKV-OAHLLOKOSA-N 396.516 3.609 0 40 GHAB Cc1c(F)cccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 12372495 KVKIGRXFPFXBRZ-KRWDZBQOSA-N 396.871 3.579 0 40 GHAB CCc1nn2c(ncc3c(=O)n(-c4ccncc4)ccc32)c1-c1ccc(OC)cc1 22610652 FMZWCPGSUFEPED-UHFFFAOYSA-N 397.438 3.666 0 40 GHAB CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 804694 DDOMHKWMZZWGNG-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cnn2cccnc12 61315512 ZRKTVECGEVPOCS-IBGZPJMESA-N 378.382 3.721 0 40 GHAB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1nccn1C(F)F 12548080 YWGNXQPFJZJQFU-UHFFFAOYSA-N 385.827 3.931 0 40 GHAB Oc1ccccc1N1CCN(Cn2ccn(Cc3ccccc3)c2=S)CC1 24577320 IVWSUPBBGYHPAV-UHFFFAOYSA-N 380.517 3.553 0 40 GHAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 58470705 MYJZVPIVCSZOIK-UHFFFAOYSA-N 388.880 3.559 0 40 GHAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(Br)cc1 3239250 PELNROIKHRBXPU-UHFFFAOYSA-N 389.278 3.761 0 40 GHAB COc1ccc(CC(=O)O[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1F 107145459 NXAUULDUBRWCCS-YQQAZPJKSA-N 393.455 3.566 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2sc(Nc3ccc(F)cc3)nc2C)CC1 22245959 RMISLNKDKQAHNV-UHFFFAOYSA-N 391.468 3.750 0 40 GHAB O=c1nc(SCc2ccc(Cl)cc2)c2c(n1C[C@@H]1CCCO1)CCC2 10255422 WNQMULDXYWTZCS-HNNXBMFYSA-N 376.909 3.857 0 40 GHAB CCN(CC)[C@@H](CNC(=O)CSc1c(C)n[nH]c1C)c1ccccc1Cl 58305426 CGPGIXDHNGLFIX-KRWDZBQOSA-N 394.972 3.971 0 40 GHAB CC(C)OCCCNc1ncc2c(n1)C[C@H](c1ccc(N(C)C)cc1)CC2=O 2225534 XGAOGRIQBPUSNU-KRWDZBQOSA-N 382.508 3.682 0 40 GHAB Cc1cc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1Cc1ccco1 12754757 QSIDUGWDYLQBEX-VMPITWQZSA-N 376.416 3.568 0 40 GHAB COc1ccc(Br)c(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 12781405 YTUVNHMUQSMTOA-UHFFFAOYSA-N 389.249 3.602 0 40 GHAB CC(C)CCNC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12780357 AKRNJDVQSKZAPV-UHFFFAOYSA-N 397.928 3.597 0 40 GHAB CCN(C(=O)[C@@H](C)Sc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 12811359 VBSOECSYJSPXBI-MNOVXSKESA-N 396.361 3.510 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)N(CCc1ccccc1)Cc1ccccc1 12801972 SEKGDQBAQDBPAY-UHFFFAOYSA-N 393.508 3.975 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC3CC3)nc3cc(Cl)ccc3c2=O)cc1 3447632 NGSJCUSIBNOPDS-UHFFFAOYSA-N 399.903 3.718 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1OCC 3441843 UFXNOJSPAVAWNH-UHFFFAOYSA-N 391.851 3.611 0 40 GHAB CCN(CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 13010960 JDLGECWPFOZCGY-KRWDZBQOSA-N 396.512 3.527 0 40 GHAB C[C@H](NC(=O)[C@@H](C)Sc1nnnn1C1CC1)c1ccc(Cl)cc1Cl 8391599 TWPZNQMNTCFFDG-DTWKUNHWSA-N 386.308 3.673 0 40 GHAB COc1ccc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(C(C)(C)C)c1 27912721 ZYCUJGXPARPKHM-UHFFFAOYSA-N 376.478 3.978 0 40 GHAB C[C@H]1CCN(C(=O)COC(=O)c2c(O)cc(F)cc2F)c2ccccc2S1 63543354 SUNDCNBJUPUXBH-NSHDSACASA-N 393.411 3.745 0 40 GHAB Cc1noc(C)c1CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O 4195085 JDBHIPYXPCQKGF-UHFFFAOYSA-N 389.455 3.567 0 40 GHAB CN(C(=O)COc1ncnc2ccc(Br)cc12)C1CCCCC1 6083203 HBWFCEBPZOJCGO-UHFFFAOYSA-N 378.270 3.562 0 40 GHAB Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccncc2)c1C(=O)OC(C)C 6254220 WMJLDRJYUSPXBB-UHFFFAOYSA-N 390.461 3.834 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)c(Cl)c2)cc1C 5392118 FOIVSUPBWNSUKD-UHFFFAOYSA-N 391.859 3.802 0 40 GHAB COc1ccc(CC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1F 14190054 ROHHACJDFPYELZ-UHFFFAOYSA-N 399.249 3.781 0 40 GHAB CCN1C(=O)[C@](O)([C@@H](C)C(=O)c2ccccc2)c2cc(Br)ccc21 4555017 NUPZOGKSSPUIHM-BUXKBTBVSA-N 388.261 3.522 0 40 GHAB Cc1ccc(NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)c(Br)c1 6764196 BRBVEOFHMXRMCM-UHFFFAOYSA-N 395.640 3.958 0 40 GHAB CNc1nnc(SCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)s1 7103018 AZPHKNHOODWSCG-OAHLLOKOSA-N 398.513 3.839 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)N[C@H](CC(C)C)c3ccccc3)nc2n1 7426413 ULVPOHMPZWHPDJ-QGZVFWFLSA-N 383.521 3.737 0 40 GHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc21 15867650 ICLFDBGKGFKWAR-UHFFFAOYSA-N 399.516 3.686 0 40 GHAB Cc1nc(-c2cccc(NC(=O)Cn3cc(C(F)(F)F)ccc3=O)c2)cs1 7735354 RNEXDOWLJDOSNG-UHFFFAOYSA-N 393.390 3.938 0 40 GHAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc2c(c1)OCO2 7843755 GRYAHWVHYCQXNH-UHFFFAOYSA-N 399.497 3.969 0 40 GHAB C[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 7829732 BFGJKLVUXUIEPR-LLVKDONJSA-N 382.407 3.643 0 40 GHAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccc(Cl)cc21 60559169 PHVLLWCBFAOPLH-UHFFFAOYSA-N 399.299 3.539 0 40 GHAB C[C@@H]1CCCCN1C(=O)c1ccn(COc2ccc(Br)cc2)n1 27972934 DZCJNEMYYOZDCE-CYBMUJFWSA-N 378.270 3.697 0 40 GHAB Cc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)cc1Cl 9237949 YLOFROSLKLMRPE-SJORKVTESA-N 399.907 3.946 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)COc2ccc(Cl)cc2Cl)n1 9356900 OMRUGWZIVUJBNZ-UHFFFAOYSA-N 389.260 3.573 0 40 GHAB COc1nc(C(=O)NCc2cc(Br)cs2)cc2ccccc12 83915468 MGCGQDXNJYXOET-UHFFFAOYSA-N 377.263 3.997 0 40 GHAB COc1ccc2c(ccn2CCC(=O)N[C@@H](C)c2nc3ccccc3n2C)c1 96231354 ZSMOMUNYJUSDCP-HNNXBMFYSA-N 376.460 3.804 0 40 GHAB O=C(NCc1cc(-c2ccccc2)no1)[C@H]1CCCN1c1ncnc2ccccc12 89851137 HEUXTHACTIAQAB-OAQYLSRUSA-N 399.454 3.570 0 40 GHAB CCc1c(C(=O)Nc2ccc(F)cc2F)nnn1-c1ccc(OC(F)F)cc1 19911118 JBPVHGSHVFRDBN-UHFFFAOYSA-N 394.328 3.962 0 40 GHAB CC(C)Oc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)s1 84622074 LPJBVYUHWVPJOI-VHSXEESVSA-N 383.461 3.655 0 40 GHAB COc1cc(OC)c(C2=CCN(Cc3nnc(C4CCC4)o3)CC2)c(OC)c1 95395332 CUKALCZJTROKLH-UHFFFAOYSA-N 385.464 3.652 0 40 GHAB NC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)nc1 95960151 FXRHOWQCDUWDFA-UHFFFAOYSA-N 392.362 3.575 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2CC(F)(F)F)cc1C(=O)O 78877912 ODHPRCSTGLMJSM-UHFFFAOYSA-N 387.379 3.907 0 40 GHAB COc1ccc(CC(=O)O[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1F 78948818 NXAUULDUBRWCCS-ZMSDIMECSA-N 393.455 3.566 0 40 GHAB O=C1S[C@@H](Cc2ccc3c(c2)OCO3)C(=O)N1Cc1ccc(Cl)cc1 409140517 ILUFKCAETPXJHE-INIZCTEOSA-N 375.833 3.875 0 40 GHAB O=C(NCCSc1ccc(Cl)cc1)c1cccc(CN2CCOCC2)c1 20495430 AXZYWVWLJXFMNT-UHFFFAOYSA-N 390.936 3.694 0 40 GHAB CCCC(=O)Nc1ccc(SCc2cc(=O)n3c(ncn3C(C)C)n2)cc1 21797614 QACVYIZNGNKQAS-UHFFFAOYSA-N 385.493 3.503 0 40 GHAB C[C@H](Oc1cccc2ccccc12)C(=O)NC[C@@H](CO)Cc1ccncc1Cl 550106087 ABKJPSPLUVBSSI-HOTGVXAUSA-N 398.890 3.623 0 40 GHAB Oc1cc(C2CCN(Cc3cccc(F)c3F)CC2)nc(-c2ccncc2)n1 72392725 ZAVZCWUCGRBSNR-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@@H](O)c3cc(F)ccc32)cc1OC(F)F 529003913 YWERTNQQZSXXDG-MRXNPFEDSA-N 395.377 3.839 0 40 GHAB CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc(Cc3ccccc3)[nH]n2)c1 560691901 XLHDOOOTKSYERF-UHFFFAOYSA-N 377.448 3.703 0 40 GHAB Cn1ccnc1[C@H]1C[C@@H](NC(=O)Nc2ccnc(-c3ccccc3)c2)CCO1 562596485 QSWRYWBZZDXPKO-PKOBYXMFSA-N 377.448 3.524 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 222937778 IWRUXCKVPFNRCS-QFIPXVFZSA-N 380.532 3.912 0 40 GHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 223262363 JNMCWNVWAMEORQ-WOJBJXKFSA-N 383.565 3.532 0 40 GHAB Cc1cc(C)n2nc(CC(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)nc2n1 40131594 CIMHUNNLYACENF-UHFFFAOYSA-N 377.492 3.598 0 40 GHAB Cc1cccc(CN(C(=O)COc2ccc(C)cc2C)[C@H](C)C(=O)NC(C)C)c1 225514787 CQGFSFZMKLJXEZ-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N3c4ccccc4C[C@@H]3C)n2)cc1OC 225826739 MGFLMWAVSQRRHN-AWEZNQCLSA-N 393.443 3.664 0 40 GHAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 223647383 WDZCZDBGDHEPPZ-UXHICEINSA-N 398.532 3.534 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(Cl)c1 222983635 XWFUMGRWKXHCPW-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB CCCCNC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 223303385 YVDROLQRQYBIJS-UHFFFAOYSA-N 380.488 3.903 0 40 GHAB Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCCC[C@@H]3C)n2)o1 225916734 IUNMGBDHHXOVBV-NSHDSACASA-N 379.917 3.897 0 40 GHAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 77200852 BVJIGNCJEZVQEX-HNNXBMFYSA-N 393.283 3.765 0 40 GHAB Fc1ccc(CN2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)cc1 96038272 FJOSLUXCSQYCHZ-UHFFFAOYSA-N 379.483 3.848 0 40 GHAB O=C(Nc1nnc(C2CCOCC2)s1)NC1(c2ccc(F)cc2F)CCC1 581867864 AHDZZTZRBSFZDD-UHFFFAOYSA-N 394.447 3.911 0 40 GHAB CCC(CC)C(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(N)=O)CC1 257299228 RPEPCBSRMXCZKN-UHFFFAOYSA-N 393.531 3.821 0 40 GHAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1C[C@H]1CCCO1 260927185 YYYNEWBYJBSKPU-HFBAOOFYSA-N 379.938 3.948 0 40 GHAB O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 668407703 CAOOGNCVZIUJKR-BRSBDYLESA-N 395.503 3.615 0 40 GHAB C[C@H](Sc1nc(C(C)(C)C)co1)C(=O)c1ccc(NS(C)(=O)=O)cc1 1190284608 ZGTXSLVUMBNNNF-NSHDSACASA-N 382.507 3.707 0 40 GHAB N[C@H](C(=O)Nc1cccc(Oc2ccc(Br)cc2)c1)[C@@H]1CCCO1 685938867 PTBLQLIJUVBVLS-IRXDYDNUSA-N 391.265 3.686 0 40 GHAB COc1cccc2cc(C(=O)N3CCC[C@](CO)(Cc4ccccc4)C3)oc12 643307793 RCVSIYADWOJNJD-QHCPKHFHSA-N 379.456 3.899 0 40 GHAB O=C1C[C@]2(CCc3ccccc32)C(=O)N1Cc1cc(F)ccc1OC(F)F 664006195 XXIJWRGYNPCHCU-FQEVSTJZSA-N 375.346 3.570 0 40 GHAB O=c1c(-c2ccc(F)cc2)coc2c3c(ccc12)OCN(CCCCCO)C3 585152430 CYIJNNIWSHIZLA-UHFFFAOYSA-N 383.419 3.914 0 40 GHAB CN(C)Cc1ccc(CNC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1 67041745 REFYGNSNBCPNGS-FQEVSTJZSA-N 395.503 3.566 0 40 GHAB c1ccc(CN(Cc2cccc(Oc3ncccn3)c2)C[C@H]2CCCO2)nc1 97360256 PMGWZRJIJJXECK-OAQYLSRUSA-N 376.460 3.845 0 40 GHAB Cc1cccc(CNC(=O)c2cc3c(N(C)Cc4ccccc4)nc(C)cn3n2)c1 169777044 IYNBHTQSLSZHQZ-UHFFFAOYSA-N 399.498 3.913 0 40 GHAB CCN(CC)c1ccc(-c2nc3cnccn3c2NC[C@@H]2CCCO2)c(OC)c1 12113881 OOADBNYGQHRIFQ-KRWDZBQOSA-N 395.507 3.842 0 40 GHAB CCCc1ccc(C(=O)N2CCC[C@H](n3nc(-c4cccs4)ccc3=O)C2)o1 12129423 XNRGAKFIDQIWEP-HNNXBMFYSA-N 397.500 3.995 0 40 GHAB Cc1nc(C)n([C@@H](C)CC(=O)N[C@@H](Cc2ccsc2)c2ncccc2C)n1 12229468 KKFQEKHKMFTFCO-KSSFIOAISA-N 383.521 3.711 0 40 GHAB O=C(CCc1ccncc1)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 19370503 UHUCSFJLJVXNDA-OAQYLSRUSA-N 388.467 3.886 0 40 GHAB Cc1nc2nc(-c3ccc(NC(=O)CCc4c(C)noc4C)cc3)cn2nc1C 19657338 MLKIDWBKJDXEIU-UHFFFAOYSA-N 390.447 3.584 0 40 GHAB O=C1COC2(CCN(Cc3ccnc4ccccc34)CC2)CN1c1ccccc1 1204083487 RAOCUUVXXRAUNF-UHFFFAOYSA-N 387.483 3.633 0 40 GHAB O=C(OC1CCCC1)N1CCC([C@H]2CCCCN2C(=O)C2CC(F)C2)CC1 2056226252 NWYCOVXBSJFQQV-FAFZWHIHSA-N 380.504 3.907 0 40 GHAB COc1cc(OC)cc(-c2nnc(NC(=O)CSc3ccc(F)cc3)o2)c1 4496786 OMIYVINWKUKNQK-UHFFFAOYSA-N 389.408 3.624 0 40 GHAB COc1ccc(CNC(=O)N2CC[C@H](Oc3ccc4ccccc4n3)C2)cc1 225739991 ZLDQAGZILKAAHK-IBGZPJMESA-N 377.444 3.606 0 40 GHAB O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)[C@@H]1CC=CCC1 40107812 XFCCSONPKDGERX-RHSMWYFYSA-N 380.410 3.841 0 40 GHAB COc1ccc(CNC(=O)CSCc2nc3ccccc3s2)cc1OC 11102417 QRSDCRKPTXEXPL-UHFFFAOYSA-N 388.514 3.863 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 7964764 YRHRBWXGEDPFOQ-LPHOPBHVSA-N 379.460 3.571 0 40 GHAB CN(C(=O)CSc1nnc(-c2cc(Cl)ccc2O)n1C)c1ccccc1 17167317 QGSZIGOWNAYFHW-UHFFFAOYSA-N 388.880 3.596 0 40 GHAB O=C(CSc1nnc(NC(=O)c2ccco2)s1)Nc1ccc(Cl)cc1 4905093 ROPIUYLHCOEKFL-UHFFFAOYSA-N 394.865 3.768 0 40 GHAB O=C(Nc1cccc(Cl)c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 41115484 MZEJARXVDRTKKU-UHFFFAOYSA-N 379.869 3.769 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 8140059 WQKAOOXSKXZXDL-UHFFFAOYSA-N 397.906 3.738 0 40 GHAB CCc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1OC 8433636 XZHKNRNEYOXBSC-UHFFFAOYSA-N 392.249 3.816 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 9062607 BNLQPPYSVCFOFT-HSZRJFAPSA-N 385.596 3.978 0 40 GHAB COc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1 9874709 LFVINWVXGREVGE-UHFFFAOYSA-N 375.856 3.711 0 40 GHAB CC(C)C(=O)N1CCC[C@H](C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)C1 37176213 ZVYGBVIXZIUFNX-QFBILLFUSA-N 388.508 3.987 0 40 GHAB Cc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)c(Br)c1 57363887 TZWPLNFLZIYEGE-UHFFFAOYSA-N 388.309 3.518 0 40 GHAB C[C@H](NC(=O)[C@H](C)N1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1 12326760 VOILBQJDEWPWOX-BJLQDIEVSA-N 379.504 3.603 0 40 GHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)c2)n1 47317633 VCAMYWPGEBHJKD-ZDUSSCGKSA-N 383.835 3.805 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)N2C(=O)CCSC2=N1 1254628 XGKHKOJFSUANQF-INIZCTEOSA-N 378.881 3.942 0 40 GHAB CCN1C(=O)N[C@H](c2ccccc2)[C@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12488340 KSBQVNFVPBLTFR-CKEIUWERSA-N 398.406 3.584 0 40 GHAB CCOc1ccc(OCC[S@@](=O)Cc2nnc(-c3ccc(F)cc3)o2)cc1 24830340 CXAOHVDODXACAA-MHZLTWQESA-N 390.436 3.602 0 40 GHAB C[C@H]1CN(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)C[C@@H](C)O1 47585068 PRRUNZHSHRJXRC-TXEJJXNPSA-N 378.366 3.745 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 58005217 VWAKSKKDCKJKTR-NWDGAFQWSA-N 395.322 3.815 0 40 GHAB COc1cc(NC(=O)c2ccc(CSC)cc2)c(C(=O)N(C)C)cc1OC 25215726 MTJBDJIYVBLQDI-UHFFFAOYSA-N 388.489 3.521 0 40 GHAB COc1ccc(C2(CNC(=O)c3cn(C)c4ccccc34)CCOCC2)cc1 56451989 IUYBOQZUFTXZTA-UHFFFAOYSA-N 378.472 3.665 0 40 GHAB biogenic O=C(NC[C@H]1CN2CCCC[C@H]2CO1)C1(c2ccc(Cl)cc2)CCCC1 107542741 LFLYVYAJCOCPJT-OALUTQOASA-N 376.928 3.521 0 40 GHAB CSc1cccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)c1 57477838 VRFZPANJSHKKSA-UHFFFAOYSA-N 383.448 3.718 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)c(-c2ccccc2)n1 57526285 RQDJQYSSUMOVPS-UHFFFAOYSA-N 387.361 3.876 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1 170565911 JYOTVLRLBBQCKV-SFHVURJKSA-N 394.471 3.799 0 40 GHAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCSc1ccc(Cl)cc1 58017117 SULDBAJYJUAWIF-ZDUSSCGKSA-N 384.954 3.773 0 40 GHAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(COc2cccc(F)c2)c1 58166724 XQZOGRAWQLORLO-HNNXBMFYSA-N 385.439 3.537 0 40 GHAB O=C(CCn1cnc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12579980 XBBDRACFQOFRLL-GOSISDBHSA-N 377.444 3.561 0 40 GHAB CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 2149141 KFFCWEFHVQLMGN-HNNXBMFYSA-N 375.421 3.619 0 40 GHAB biogenic CCC(CC)(NC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1 58230979 BBEUQKJHUJVBIP-UHFFFAOYSA-N 383.883 3.690 0 40 GHAB COc1ccccc1[C@H](CNC(=O)c1ccc2ccccc2n1)N1CCCC1 22679721 PTCOOFIWFLIJAP-NRFANRHFSA-N 375.472 3.810 0 40 GHAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1NS(C)(=O)=O 58406514 FLUKAIOVTPBDAN-CABCVRRESA-N 378.881 3.762 0 40 GHAB Cc1csc2nc(COC(=O)C3(c4ccc(F)cc4)CCCC3)cc(=O)n12 10799592 IFQGEEKLQQIJTO-UHFFFAOYSA-N 386.448 3.759 0 40 GHAB Fc1cccc(Nc2nc(N3CCOCC3)nc3c2cnn3-c2ccccc2)c1 28406136 UATNMQCZNLHOHA-UHFFFAOYSA-N 390.422 3.535 0 40 GHAB Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1cccc(Cl)c1Cl 12621924 DTOGVTYYGFJBTJ-UHFFFAOYSA-N 392.242 3.833 0 40 GHAB Cc1cccc(C)c1N(Cc1ccc(C(=O)NC(C)(C)C)cc1)S(C)(=O)=O 113966003 UJLHYPUQKZPRFZ-UHFFFAOYSA-N 388.533 3.798 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1C 3361922 WVMVQLQIZQSIFR-LJQANCHMSA-N 383.469 3.841 0 40 GHAB O=c1c2cc(-c3ccccc3)sc2ncn1C[C@H]1COc2ccccc2O1 12796319 FKQUQPRFGDNQAP-HNNXBMFYSA-N 376.437 3.965 0 40 GHAB CC(C)(C)n1nc(C(=O)N2CCCN(Cc3cccs3)CC2)cc1C1CC1 48253172 UFFLNCGITULCCQ-UHFFFAOYSA-N 386.565 3.925 0 40 GHAB Cc1cccc(OCCOC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1 12811033 GTDNHSREXWDZMF-UHFFFAOYSA-N 381.472 3.778 0 40 GHAB COc1cc(Cl)c(NC(=O)CCc2nnc(-c3ccccc3)o2)cc1OC 12823843 LVVFUEPMDIGSMR-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1 21379871 MPMOYVHIFQESEY-HNNXBMFYSA-N 380.469 3.993 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(Cl)cc1F 12906438 LOBMXVYXYOEXIV-ZDUSSCGKSA-N 387.846 3.691 0 40 GHAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3coc(Br)c3)n2)C1 12980342 ABGGXJDJZUKVCD-SNVBAGLBSA-N 384.299 3.983 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12972373 VMJYXBMFNRSSEZ-AWEZNQCLSA-N 379.435 4.000 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 12944379 PNFLMCUUMBUAQV-QGZVFWFLSA-N 393.892 3.729 0 40 GHAB COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(Cl)cc1 5343997 OQZIEEHFTSULOX-IBGZPJMESA-N 383.835 3.627 0 40 GHAB Cc1ccc(N2CCN(C(=S)Nc3ccc4c(c3)OCCO4)C[C@@H]2C)cc1 6400862 MSVVCROFCFLRCH-INIZCTEOSA-N 383.517 3.674 0 40 GHAB COc1ccc2c(c1)c(C(=O)N1CCN(c3ccccc3F)CC1)c(C)n2C 5426850 GBXJZBWEUVHIFC-UHFFFAOYSA-N 381.451 3.597 0 40 GHAB CCOC(=O)c1ccc(N[C@H]2SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 4661482 QWVULZOJSMOAHZ-KRWDZBQOSA-N 384.457 3.805 0 40 GHAB CCc1cc2c(SCC(=O)Nc3ccc(C(=O)OC)cc3)ncnc2s1 6619375 IJNCJHNOWFIHPE-UHFFFAOYSA-N 387.486 3.771 0 40 GHAB Cc1c(CCC(=O)NCCc2ccccc2F)c(=O)oc2c(C)c(O)ccc12 4743432 WYLYTRDSITXBIT-UHFFFAOYSA-N 383.419 3.546 0 40 GHAB Cc1ccc(C)c(SCC(=O)N[C@H](C(=O)Nc2cn[nH]c2)c2ccccc2)c1 89626334 ZHXPKEDRLQHBLF-FQEVSTJZSA-N 394.500 3.615 0 40 GHAB COc1ccccc1-c1nnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)n1C 7151480 FZJHJOTXEJBMOR-GOSISDBHSA-N 394.500 3.603 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCC(C)CC2)o1 15860511 UTROGADUOXTMBP-SFHVURJKSA-N 394.471 3.897 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(CC3CCCC3)n[nH]2)c1C 8752521 GASRIPWPDBBMNA-GFCCVEGCSA-N 390.509 3.632 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(F)c(F)cc1Cl 15999640 KDRGETHWLLBMTG-UHFFFAOYSA-N 381.734 3.867 0 40 GHAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C1(c2ccccc2)CCOCC1 70640012 RQOQLDYJNXHYGE-SFHVURJKSA-N 393.405 3.603 0 40 GHAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCSCC2)C12CCCC2 71283709 QJJOMYKZUGIMEB-IBGZPJMESA-N 386.561 3.770 0 40 GHAB Cc1nc(C(=O)NCc2nnc(C(C)C)s2)nn1-c1ccccc1C(C)C 84280599 VVNSWHVCFZCSOE-UHFFFAOYSA-N 384.509 3.604 0 40 GHAB COC(=O)c1[nH]/c(=N\C(=O)c2nc(C)sc2C(C)C)sc1CC(C)C 72402208 LVCBENMCQAYOHN-UHFFFAOYSA-N 381.523 3.691 0 40 GHAB O=C(CCc1ccc(OC(F)(F)F)cc1)N1CCO[C@H](Cc2ccccc2)C1 95463824 BLFLLFJKXQVSNV-LJQANCHMSA-N 393.405 3.988 0 40 GHAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NC1CC(C)(C)CC(C)(C)C1 95464378 RFDWAINOUMFMTQ-HNNXBMFYSA-N 380.554 3.852 0 40 GHAB CC(C)c1c(NC(=O)CO[C@H]2CCCC[C@@H]2C)c(=O)n(-c2ccccc2)n1C 78808602 KYRPBBLINNOOLP-WMZOPIPTSA-N 385.508 3.833 0 40 GHAB CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 79055062 DNBAHKMUKCHSLF-CVEARBPZSA-N 390.480 3.870 0 40 GHAB O=C([C@H]1CC(c2cccc(F)c2)=NO1)N(Cc1ccccc1)CC(F)(F)F 95954186 KPVYFCAIGKEDLX-QGZVFWFLSA-N 380.341 3.910 0 40 GHAB COc1ccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OC 20110769 AAYUWYLUBNCZOI-UHFFFAOYSA-N 382.504 3.866 0 40 GHAB Cc1cccc(C)c1OCCNC(=O)c1cc(Br)cnc1Cl 60344310 SSBMPPNLUNDDSK-UHFFFAOYSA-N 383.673 3.923 0 40 GHAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1OC 65090371 FUIMEGWHRMNNQR-CQSZACIVSA-N 377.868 3.874 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)NCC(C)C 408583261 GQISEGYWXDUJSY-UHFFFAOYSA-N 380.897 3.835 0 40 GHAB CN1C(=O)COc2ccc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)cc21 528329494 GKZIXFMUNGVSJK-UHFFFAOYSA-N 380.419 3.653 0 40 GHAB COc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2OC)cc1 72396935 CLQUAODSXZTXJL-FQEVSTJZSA-N 391.471 3.756 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(N2CCCC2=O)cc1 219207659 WUNQBUKKWULCJF-UHFFFAOYSA-N 396.472 3.587 0 40 GHAB CCc1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 219296974 NLIPMJAPCHSXMJ-HNNXBMFYSA-N 395.459 3.734 0 40 GHAB O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)NCc1cccnc1 1565525026 XILVVXAKGATWRN-UHFFFAOYSA-N 377.488 3.694 0 40 GHAB O=C([C@H]1CN(C(=O)/C=C/c2ccc(F)cc2)c2ccccc2O1)N1CCCCC1 32772522 FRKLUQRUGJMPKC-QYFOZDBKSA-N 394.446 3.646 0 40 GHAB CC(C)Oc1cccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 219718288 JZTDKTDTPPWFGN-UHFFFAOYSA-N 390.505 3.513 0 40 GHAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)c1 49122924 ZNEKOBLHTHTCCD-AWEZNQCLSA-N 390.487 3.705 0 40 GHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222942730 KSYYEEYZMNWDNH-HNNXBMFYSA-N 386.517 3.736 0 40 GHAB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C)cc1 222753796 XGCPMPNDLCSGCP-PMACEKPBSA-N 378.501 3.873 0 40 GHAB CON(C)C(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 40068054 VBFNGYOWKDSOKI-UHFFFAOYSA-N 390.505 3.727 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 225381602 UGVIXPVQGSBCJW-MSOLQXFVSA-N 382.504 3.570 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 44900214 JACOWCZIPDBFBH-HNNXBMFYSA-N 394.924 3.600 0 40 GHAB COc1ccc(CCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1OC 223327717 KOWWZVFOJHJBOP-INIZCTEOSA-N 383.488 3.709 0 40 GHAB CCCCCn1ccc2c(nnc3c(-c4ccc(F)cc4)c(COC)nn32)c1=O 40392088 VZNNILCOZZWSAB-UHFFFAOYSA-N 395.438 3.582 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2)cc1 225773639 PICKXAYPKNENGO-ZHZULCJRSA-N 392.480 3.844 0 40 GHAB COc1ccc(CCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 225319197 RNQXEHBONRPKRH-UHFFFAOYSA-N 385.851 3.990 0 40 GHAB CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccc(OC)c(C)c1 222596971 LXZDOIPFCLLAPR-QGZVFWFLSA-N 390.505 3.565 0 40 GHAB Cc1ccc(CN2CC[C@@]3(COCc4cnc(NCc5ccco5)nc43)C2)cc1 96244217 APVFIBFGZWYLJB-QHCPKHFHSA-N 390.487 3.664 0 40 GHAB O=C(Cc1ccc(F)cc1)NC1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1 98212862 IIJCDLIZKVXHHD-UHFFFAOYSA-N 396.441 3.683 0 40 GHAB CN1C(=O)c2cc(NC(=O)c3cccnc3Cl)ccc2Oc2ncccc21 95472132 CGIHXPKRRUKNHZ-UHFFFAOYSA-N 380.791 3.765 0 40 GHAB O=C(CN1CCN(Cc2c(F)cccc2Cl)CC1)NCCC1=CCCCC1 96299969 LPUDVMXTBFGEQG-UHFFFAOYSA-N 393.934 3.603 0 40 GHAB CSc1ncccc1C(=O)N1C[C@@H](c2ccccc2)[C@@H](c2nc(C)no2)C1 253471836 FYWNOIKUZDNWCD-IRXDYDNUSA-N 380.473 3.518 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)nc(N)n1 257291212 QGDIONKHSNPVSS-QGZVFWFLSA-N 397.866 3.577 0 40 GHAB c1ccc(CO[C@@H]2CSC3(C2)CN(Cc2ccc4ccccc4n2)C3)nc1 253595650 HAAXOLPOOHPJDO-FQEVSTJZSA-N 377.513 3.907 0 40 GHAB COc1ccc(CCNC(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc1 96119610 GMTVLAJVXJFMGF-UHFFFAOYSA-N 392.459 3.911 0 40 GHAB CC1(C)C[C@@]1(NC(=O)NCc1ccnc(OC2CCOCC2)c1)c1ccccc1 664112015 OZGSFBCQWBZXNH-HSZRJFAPSA-N 395.503 3.764 0 40 GHAB O=C1C[C@H]2[C@H](CCN2C(=O)OC2CCCC2)N1Cc1ccc(F)cc1Cl 585108962 IDCQQKPPKWFMBB-IRXDYDNUSA-N 380.847 3.734 0 40 GHAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1Br 5079958 PIBITCJAKBZUJC-UHFFFAOYSA-N 385.217 3.793 0 40 GHAB CSc1cccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 5439557 JDTAWXGIIBNPFU-UHFFFAOYSA-N 390.530 3.899 0 40 GHAB CC(=O)Nc1cccc(OCC(=O)Nc2ccc(Br)cc2C)c1 5462121 LODQFETURGHKEU-UHFFFAOYSA-N 377.238 3.733 0 40 GHAB CCC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(CC)c3)C2)c1C 12909100 GCRCDOSLEHDBAY-QGZVFWFLSA-N 393.487 3.898 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@H]2CS[C@@H](c3cccc4[nH]ccc34)N2)c(C)c1 13573186 UXVQGPJZEIUESL-CTNGQTDRSA-N 394.496 3.914 0 40 GHAB CS(=O)(=O)N(CCCC(=O)NC1CCCCCCC1)c1ccc(F)cc1 14398660 XXNFNJXYMXRGMC-UHFFFAOYSA-N 384.517 3.601 0 40 GHAB S=C1N[C@@H](c2ccc(Cl)cc2)N2C(=S)N[C@H](c3ccc(Cl)cc3)N12 17004172 CDSHLCXOUSAOLQ-OKILXGFUSA-N 395.340 3.986 0 40 GHAB Cc1ccc(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)cn1 19214827 IVTKFOVMEVFWHY-UHFFFAOYSA-N 379.489 3.632 0 40 GHAB C[C@]1(C(=O)Nc2cccc(-c3nc[nH]n3)c2)CC(c2ccccc2Cl)=NO1 19717641 PJZMGJFBSJFMON-LJQANCHMSA-N 381.823 3.647 0 40 GHAB O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(COc2ccccc2)CC1 4213867 ARFNSMYWLYZEPU-LJQANCHMSA-N 380.488 3.699 0 40 GHAB in-man C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2Br)o1 3412507 QPRPSTMPYFIXFF-NSHDSACASA-N 396.310 3.992 0 40 GHAB CSC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(Br)s1 206764837 RRMOMPKLVPRGJK-ULKQDVFKSA-N 382.370 3.558 0 40 GHAB COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(CC(C)C)C1 19447179 LUPFJILEWCZZOH-AVRDEDQJSA-N 381.520 3.929 0 40 GHAB CCc1ccc(O)c(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 583621731 DCWZBNULVPUZHG-KRWDZBQOSA-N 385.464 3.599 0 40 GHAB COc1c(Br)cc(Br)cc1CNCc1cccnc1 7274793 MQBZMQGPXIUYSD-UHFFFAOYSA-N 386.087 3.905 0 40 GHAB Nn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1ccc(Cl)cc1 4469696 NTHBSTJEEMRJBX-UHFFFAOYSA-N 399.907 3.532 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(N3CCCC3=O)c2)nc2ccccc21 10054548 ZWEWGKGPARADTO-UHFFFAOYSA-N 394.500 3.914 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CCC(Nc2cc(C)ncn2)CC1 1888876216 LJPNGJMVRHNAJH-UHFFFAOYSA-N 375.860 3.555 0 40 GHAB CC(C)CN1C(=O)C2(CCN(Cc3cncn3C)CC2)C[C@@H]1Cc1ccccc1 2037846447 YJNFWAQITFLLNX-NRFANRHFSA-N 394.563 3.502 0 40 GHAB COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3cccs3)nc12 5121680 SEYXQRJAXPQUMI-UHFFFAOYSA-N 375.519 3.883 0 40 GHAB O=C(COc1ccc(F)cc1)Nc1nc(CN2CCc3ccccc3C2)cs1 21681301 GASJHFSPPKSASG-UHFFFAOYSA-N 397.475 3.858 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)c1cc(=O)c2ccccc2o1 1775968638 IMRZZOKKUGNIML-AWEZNQCLSA-N 381.409 3.578 0 40 GHAB C[C@@H](NC(=O)C1CC1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 23181442 SNXVFWOKNAKOTF-FOIQADDNSA-N 387.524 3.665 0 40 GHAB Cc1ccc(C(=O)c2cnc3cc4c(cc3c2N2CCOCC2)OCO4)cc1C 36060469 NGMMALNASFGIFU-UHFFFAOYSA-N 390.439 3.648 0 40 GHAB O=C(NCC(=O)N1CCS[C@H](c2cccs2)CC1)OCc1ccccc1 219511503 DZIOBIXVLPMGBE-KRWDZBQOSA-N 390.530 3.681 0 40 GHAB CCCCOc1ccccc1/C=c1\sc2nc(-c3ccccc3)nn2c1=O 13618648 XSOFOLDFXZZIJM-JXAWBTAJSA-N 377.469 3.545 0 40 GHAB O=C(CCN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 19892899 CWZLBXXXDNCUHG-UHFFFAOYSA-N 387.321 3.840 0 40 GHAB C[C@H]1CN(c2ccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cn2)C[C@@H](C)O1 30016415 XTZRVMLJUFWGGK-PHIMTYICSA-N 395.290 3.837 0 40 GHAB CCOc1ccc(N/C=C(/C(=O)OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 100025837 QZZUOTFJJFCTJJ-ATVHPVEESA-N 395.864 3.639 0 40 GHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 40104489 PIYVXTUOIXADHY-AWEZNQCLSA-N 399.413 3.880 0 40 GHAB COc1cc(CNCc2ccc(OCc3ccncc3)cc2)cc(OC)c1OC 30545879 ANFDBFRHFPKOGH-UHFFFAOYSA-N 394.471 3.976 0 40 GHAB O=C1CCc2cc(C(=O)COC(=O)/C=C/c3ccccc3Cl)c(F)cc2N1 50458031 SDFWEGOLACJKQV-SOFGYWHQSA-N 387.794 3.803 0 40 GHAB O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCCCCCC1 7807931 KBHWBUJKLXJFJW-NRFANRHFSA-N 390.483 3.687 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 917208 RYXAPJZDHQZYOZ-UHFFFAOYSA-N 393.472 3.646 0 40 GHAB Cn1c(COc2ccc(F)cc2)c(Br)c(=O)n1-c1ccccc1 2571260 CKWMAPZAMGLEQK-UHFFFAOYSA-N 377.213 3.657 0 40 GHAB CCCS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccc(C(C)C)cc3)no2)C1 1360189 SEZCSRIYAUEYBW-QGZVFWFLSA-N 377.510 3.779 0 40 GHAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)c1 1379731 VARDJHYZPHXUPT-LJQANCHMSA-N 380.448 3.588 0 40 GHAB Cc1cccc2cc(CN(CCCO)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c12 4132436 GRIDIEJZBKDNQC-UHFFFAOYSA-N 399.491 3.557 0 40 GHAB COc1ccc(-c2csc(NC(=O)[C@H]3COc4ccccc4O3)n2)c(OC)c1 4224297 OQUSUBJTDBYRJK-GOSISDBHSA-N 398.440 3.606 0 40 GHAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1ccc(F)c(F)c1F 4251926 FRJDKIBMLJEARF-JTQLQIEISA-N 392.406 3.801 0 40 GHAB CCCCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)OC)c(C)c2)cc1 6323665 XIZSSDUNZXCHLX-UHFFFAOYSA-N 391.489 3.690 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)n2cc(C(=O)OC)c3ccccc32)cc1 6630501 YNXXBGYTAYVOGY-AWEZNQCLSA-N 394.427 3.804 0 40 GHAB COc1cccc(CNC(=O)CCCOc2cccc(Br)c2)c1 6942376 UHYQYOGIYJWHGJ-UHFFFAOYSA-N 378.266 3.933 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 7670031 HTCMDRWNHVADFC-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N[C@@H]3CCCC[C@@H]3C)o2)cc1 10045154 ZUQCESDBUOFYDX-FUHWJXTLSA-N 384.476 3.821 0 40 GHAB Cc1ccc(-n2c(C[C@@H]3C(=O)Nc4ccccc43)nc3ccccc3c2=O)cc1 101409863 AIEVDDKHCLSPSN-IBGZPJMESA-N 381.435 3.973 0 40 GHAB CCOc1cc(CNCc2ccc3c(c2)OCO3)cc(Br)c1OC 8253627 AVOALEYNQDSNKH-UHFFFAOYSA-N 394.265 3.875 0 40 GHAB CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccco3)cc2[nH]1 32466013 WERAMKWJKREKBU-MRXNPFEDSA-N 380.448 3.697 0 40 GHAB COc1cc(SC)ccc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 2617221 HLRMHGZYDCHBOE-CYBMUJFWSA-N 387.457 3.804 0 40 GHAB CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@@H](C)C(=O)NC(C)(C)C 21605536 FBYOWPIOHZVKTD-ZDUSSCGKSA-N 389.521 3.737 0 40 GHAB Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1C 102531961 LIMMFOYLXRQVBO-SNHGZMDHSA-N 387.435 3.834 0 40 GHAB Cn1cc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cn1 102525844 REZSJWSBAZOHAE-CYBMUJFWSA-N 386.843 3.535 0 40 GHAB COc1ccc2[nH]cc(CCNC(=O)Nc3cc(OC)c(OC)c(OC)c3)c2c1 9874097 MDOAOBJCHGTZET-UHFFFAOYSA-N 399.447 3.567 0 40 GHAB O=C(Cc1csc(-c2ccco2)n1)N1CCN(c2ccccc2Cl)CC1 32909182 PTAVKNNCDIIKIF-UHFFFAOYSA-N 387.892 3.948 0 40 GHAB COc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)ccc1OC(C)C 2766056 XSQRHECHQUSESB-PXNSSMCTSA-N 380.444 3.652 0 40 GHAB biogenic Cc1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)n(Cc2ccccc2)n1 28246341 GGYRWABNVVTYGZ-UHFFFAOYSA-N 395.850 3.983 0 40 GHAB COc1ccc(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 1024540 NDNHMJXBDJKFND-UHFFFAOYSA-N 390.288 3.532 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 12544358 KQBGFKZIOIIKEJ-UHFFFAOYSA-N 397.500 3.809 0 40 GHAB COc1ccc(OC)c(C2=NO[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2)c1 101492363 QDWFYOUSITXXTD-LNHNDHHWSA-N 386.492 3.624 0 40 GHAB C[C@@H](Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)N1CCOCC1 57722636 UCQOKULRSIVRMM-CQSZACIVSA-N 392.858 3.717 0 40 GHAB O=C(O)c1cc(NS(=O)(=O)c2ccc(F)cc2Cl)cc(C(F)(F)F)c1 57769628 SAQMDILTNKLBIM-UHFFFAOYSA-N 397.733 3.997 0 40 GHAB O=c1c2c(-c3ccccc3)csc2ncn1C[C@@H](O)COc1ccccc1F 12698397 DBNLVPYVSQVONV-OAHLLOKOSA-N 396.443 3.704 0 40 GHAB O=C(Cn1c(SC(F)F)nc2ccccc21)N(Cc1ccccn1)C1CC1 57995643 GZWYLLYHWVZFKK-UHFFFAOYSA-N 388.443 3.937 0 40 GHAB COc1ccccc1Nc1nc(N)nc(CSc2ncnc3sccc23)n1 8156010 CISFYZJVNOMGJO-UHFFFAOYSA-N 397.489 3.503 0 40 GHAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1ccc2c(c1)OCO2 3340666 ZJWWEBDOKJPMGR-UHFFFAOYSA-N 392.198 3.683 0 40 GHAB Cc1noc(C)c1S(=O)(=O)N[C@@H](c1ccc2c(c1)CCC2)c1cccs1 10519118 DGIUEYKMTIIGSK-SFHVURJKSA-N 388.514 3.910 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)cc1C 2394135 ZFIZHNFJWINWKZ-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc3ccccc3c2O)c1 3438709 QQATVDTXMGHUAH-AWEZNQCLSA-N 377.396 3.932 0 40 GHAB Cc1ccccc1SCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 13135722 CBDLCLFELXXBIS-UHFFFAOYSA-N 395.450 3.850 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)c(C)c1N1CCCC1=O 4015979 AJPFFRPRPXHWPP-UHFFFAOYSA-N 380.554 3.733 0 40 GHAB C[C@@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)NC1CCCCC1 4285875 DKDOUNBAJBKJGN-LLVKDONJSA-N 391.562 3.793 0 40 GHAB COc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 5270086 WEEOBBLYHLVULG-IBGZPJMESA-N 396.487 3.673 0 40 GHAB CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(OC)c(OC)c1 5342811 HFSPMQCHGSNWOL-NRFANRHFSA-N 393.443 3.755 0 40 GHAB O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]1 14162219 KRMICPYGSGPNSR-UHFFFAOYSA-N 384.842 3.556 0 40 GHAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)C1=NN(c2ccccc2)C(=O)CC1 5487331 FRBCFPGZGRXVAL-UHFFFAOYSA-N 395.806 3.512 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1OC 14252963 JWJMMVBPLXUWFQ-UHFFFAOYSA-N 385.338 3.792 0 40 GHAB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 4676435 GBKCIQCWMRAFSO-BOPFTXTBSA-N 382.441 3.679 0 40 GHAB C[C@@H]1CCN(C(=O)Cn2nnc(-c3ccccc3Cl)n2)c2ccccc2S1 4763341 AMIFGBXLVRYCOC-CYBMUJFWSA-N 399.907 3.911 0 40 GHAB COc1ccc(CNC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1 5611591 YLYQKKOGWPUCHU-UHFFFAOYSA-N 390.468 3.879 0 40 GHAB COc1ccc(-c2noc(CN(C(=O)COc3ccccc3C)C(C)C)n2)cc1 6736957 IXKRFACFYWGVHB-UHFFFAOYSA-N 395.459 3.870 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N3c4ccccc4C[C@@H]3C)cc2)n1 6887091 CPFGSWOZMUFSPM-INIZCTEOSA-N 389.455 3.624 0 40 GHAB CCCc1cc(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)sc1C 4928840 GZPPDWNFLIUYAZ-UHFFFAOYSA-N 378.425 3.653 0 40 GHAB C[C@]1(c2cccc(Br)c2)NC(=O)N(C/C=C/c2ccccc2)C1=O 8634951 UFHSSFCMAIUMRM-MBNRZODZSA-N 385.261 3.930 0 40 GHAB CC1CCN(CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)CC1 7459837 NSWSHXVONVILJQ-UHFFFAOYSA-N 390.915 3.859 0 40 GHAB COCCn1c([C@H]2CC(=O)N(c3cccc(SC)c3)C2)nc2ccccc21 7544121 AGLJAHNCDGRQIW-HNNXBMFYSA-N 381.501 3.925 0 40 GHAB O=C(c1cccnc1Oc1ccccc1)N1CCN(c2cccc(Cl)n2)CC1 71185440 ZVUAKOXIFCAGIO-UHFFFAOYSA-N 394.862 3.885 0 40 GHAB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OC(C)=O 409320877 CTQFRUKTZZXTHF-UYRXBGFRSA-N 397.452 3.900 0 40 GHAB CC[C@H]1CCCCN1C(=O)COC(=O)c1cccnc1Nc1ccccc1OC 9249510 PHBSMMQDSQXDEG-INIZCTEOSA-N 397.475 3.782 0 40 GHAB O=C(c1cc2cc(Br)ccc2o1)N1CCC[C@H]1[C@@H](O)C(F)(F)F 84451752 LYLOEEXBOPIASL-GXFFZTMASA-N 392.171 3.723 0 40 GHAB Cc1noc(-c2ccc(N3CCC[C@H](C(=O)N[C@@H](C)c4cccs4)C3)nc2)n1 77200439 LOUIPDYPUXXXNY-BBRMVZONSA-N 397.504 3.595 0 40 GHAB Cc1ccc(-n2nc(-c3nc(-c4cccnc4)no3)c3ccccc3c2=O)cc1 64949624 AIMFTCZNALADSA-UHFFFAOYSA-N 381.395 3.806 0 40 GHAB O=C(Nc1ccccc1Br)C1CCN(C(=O)c2ccccc2)CC1 36171678 UDRWRZVECLTJPN-UHFFFAOYSA-N 387.277 3.940 0 40 GHAB O=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 32295195 UGKNMGJKQFFYKZ-UHFFFAOYSA-N 378.272 3.972 0 40 GHAB CC(=O)N1CCC(N2CC[C@H](c3nc(C)cc(Oc4ccccc4C)n3)C2)CC1 72384362 PTKARJMLXLWCNM-IBGZPJMESA-N 394.519 3.686 0 40 GHAB CCn1ccc(-c2cc(O)n3nc(COC)c(-c4ccc(Cl)cc4)c3n2)n1 72391389 REYYFCZCCDJRAK-UHFFFAOYSA-N 383.839 3.785 0 40 GHAB Cc1nc2c(-c3cccs3)nc(=O)n(CC(=O)Nc3ccccc3C)c2s1 32615813 XRQOYPRWCBWALY-UHFFFAOYSA-N 396.497 3.837 0 40 GHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCCN(C(=O)C2CC2)C1 72394123 MPYOYZBQRKCQFB-HSZRJFAPSA-N 396.487 3.774 0 40 GHAB Cc1ccccc1-c1cncc(C2CCN(CC(=O)N3CCCCC3)CC2)n1 72359363 GOBBDVUECCDMPG-UHFFFAOYSA-N 378.520 3.644 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)Cc2ccccc2N2CCOCC2)o1 32215669 BVJUWXVQFWSNGP-WLZBKEPESA-N 380.488 3.911 0 40 GHAB CCc1nc2cccnc2n1[C@H]1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1 72366017 IXHQIIMMJUCYFT-HNNXBMFYSA-N 389.459 3.571 0 40 GHAB COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1 224676262 DKUXQNZWKLJAIN-UHFFFAOYSA-N 381.453 3.722 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1OC(F)F 40088117 OMFWZTMPVQMWGT-INIZCTEOSA-N 380.322 3.567 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 223726271 RGCYQDAYSUCSHC-CQSZACIVSA-N 376.859 3.575 0 40 GHAB O=C(NCc1ccccc1OC(F)F)Nc1ccc(C(=O)N2CCCC2)cc1 44014265 BZNYXQNOKZIKEN-UHFFFAOYSA-N 389.402 3.846 0 40 GHAB O=S(=O)(NCc1cccc(CN2CCCCC2)c1)c1ccc(Cl)cc1 224664017 QXHWNSHKIPQEIW-UHFFFAOYSA-N 378.925 3.804 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 224265063 CAMOIRAQBZVJNY-OAQYLSRUSA-N 382.504 3.626 0 40 GHAB O=c1c(Cl)c(Cl)cnn1CN1CCC[C@H](c2nc3ccccc3o2)C1 47996192 QYXRUDNCXGHSGP-NSHDSACASA-N 379.247 3.528 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(=O)O)c1 222798455 MEIMHXFRTIFNKU-OALUTQOASA-N 392.484 3.563 0 40 GHAB CC[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 225310532 AKQOTSUCHWMTOF-SFHVURJKSA-N 379.909 3.944 0 40 GHAB Fc1ccc(C2(CNC(=S)Nc3ccc(Cl)cn3)CCOCC2)cc1 224024718 ZHXSOUFUIZVXLI-UHFFFAOYSA-N 379.888 3.909 0 40 GHAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCC(Oc2ncccc2Cl)CC1 96096857 IBBSXCCLVZMKLU-UHFFFAOYSA-N 388.880 3.870 0 40 GHAB COc1ccc(CN2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)cc1OC 96117629 LARMSMYIHJMEDA-UHFFFAOYSA-N 393.487 3.580 0 40 GHAB COc1cc2cc(C(=O)NCCn3ccc4c(OC)cccc43)[nH]c2cc1OC 96116510 LOSABDLWEOSTTE-UHFFFAOYSA-N 393.443 3.578 0 40 GHAB biogenic CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)OC)[C@@H](O)C[C@H]1O 248272288 QQCOAAFKJZXJFP-AAUJWLFGSA-N 382.541 3.521 0 40 GHAB CC(=O)N1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccc(F)cc3)c2)C1 257257121 KODNWOHCMQVRNW-KRWDZBQOSA-N 379.439 3.559 0 40 GHAB C[C@@H](Cc1ccc2c(c1)CCCC2)N[C@@H](C)Cn1ncc2ccccc2c1=O 657934398 AFLLHCQOCKRHJF-ROUUACIJSA-N 375.516 3.885 0 40 GHAB Cn1ccnc1SCC1CCN(C(=O)CSc2ccc(F)cc2)CC1 90608207 OBGSIPCTRBKHES-UHFFFAOYSA-N 379.526 3.682 0 40 GHAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1cccc(C(=O)O)c1 670416559 JXIQQKBDOGZXIG-UHFFFAOYSA-N 390.395 3.924 0 40 GHAB Cc1ncc(CN2CC[C@]23CCCN(C(=O)c2ccc(Cl)cc2O)C3)s1 585102333 XFNURIFIDCLGPY-IBGZPJMESA-N 391.924 3.691 0 40 GHAB O=S(=O)(NCc1ccc(Cn2ccnc2)cc1)c1cc(Cl)ccc1Cl 54534045 BGDWSGVJNGAGNI-UHFFFAOYSA-N 396.299 3.717 0 40 GHAB COCc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 5254791 WNBSHLHXLYABMA-UHFFFAOYSA-N 389.451 3.896 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)o2)c(OC)c1 5391980 FLSGYDQPAOIGAQ-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OC 5720125 RDKUGILGIBJSOP-SXGWCWSVSA-N 386.385 3.853 0 40 GHAB O=C1COc2nc3cc4c(cc3cc2CN1Cc1ccccc1Cl)OCO4 12113106 BXNOBOCKLKCUDT-UHFFFAOYSA-N 382.803 3.538 0 40 GHAB CS(=O)(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 12933223 OTUOLIIALXWWBW-UHFFFAOYSA-N 379.437 3.966 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1F)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716322 VGWPHPYGRBHUSH-SFHVURJKSA-N 378.469 3.626 0 40 GHAB CC(C)c1nnc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)s1 15936093 BDUWANIGYVPLPB-GFCCVEGCSA-N 391.472 3.683 0 40 GHAB COc1cccc(CN(C)[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1OC 16378233 PWBMIHVNFWWGEG-LRYXAPPNSA-N 386.536 3.609 0 40 GHAB O=C(c1ccc(F)cc1)N1CCCC[C@@H]1CCn1nc2c(cc1=O)CCCCC2 19332016 WHQXKGIGSFTYKJ-HXUWFJFHSA-N 397.494 3.736 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 19333320 YQAYIYRWBJNHDK-SFHVURJKSA-N 397.475 3.934 0 40 GHAB COc1cc(CN2CCN(CC3(c4ccccc4)CC3)CC2)cc(OC)c1OC 19549838 JDHUWIXOHOJBKF-UHFFFAOYSA-N 396.531 3.562 0 40 GHAB COc1ccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 19555284 COXQSZRFGKYBDL-HXUWFJFHSA-N 376.460 3.568 0 40 GHAB CC(=O)N[C@@H]1CN(C)C2(CCN(Cc3ccc(-c4ccc(F)cc4)cc3)CC2)C1 19704237 ALBBLFQEVLPMSI-QHCPKHFHSA-N 395.522 3.668 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(C(=O)NCc2ccccc2)C1 35312901 IKMKBKYTCSUZOI-SFHVURJKSA-N 381.476 3.564 0 40 GHAB COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3SC)n2)cc1 42380964 GHXPOFLPTKZVNP-AWEZNQCLSA-N 395.484 3.841 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)n[nH]2)cc1 5210923 NJWIRTXBSQANJL-CQSZACIVSA-N 382.489 3.586 0 40 GHAB CCCn1nnnc1COC(=O)c1ccccc1Cc1nc2ccccc2s1 25131937 LGEBEPCMHQXVFR-UHFFFAOYSA-N 393.472 3.641 0 40 GHAB O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(c2ccc(Cl)nn2)CC1 28098343 FUPKFWPIZHLPIG-UHFFFAOYSA-N 398.816 3.682 0 40 GHAB Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)OCC(C)C)CC2)n1 2056226204 MURINZQQHNYZSG-HXUWFJFHSA-N 387.524 3.889 0 40 GHAB Cc1ccn2cc(CNS(=O)(=O)c3ccc(Oc4ccccc4)cc3)nc2c1 4248420 VXTRCLWLHIHMDP-UHFFFAOYSA-N 393.468 3.914 0 40 GHAB Cc1cccc(COn2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2=O)c1 5054867 KOTPYIAJMAWHRA-UHFFFAOYSA-N 382.847 4.000 0 40 GHAB O=C(CCCSc1ccc(NC(=O)c2cccs2)nn1)Nc1ccccn1 11794078 LUSAYTRNSKFMIZ-UHFFFAOYSA-N 399.501 3.696 0 40 GHAB O=C(Nc1nc(CCC(=O)N2CCc3ccccc32)cs1)c1ccccc1 11835362 RAXJIXVBYWPWQN-UHFFFAOYSA-N 377.469 3.917 0 40 GHAB COc1cccc(CN2Cc3cn(CC4CC4)nc3[C@@H](COCC3CC3)C2)c1 2055751207 VDGFXLSQOXXSJD-OAQYLSRUSA-N 381.520 3.828 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2ccc3ccccc3c2)N2CCOCC2)cc1 21917916 RKDKFUAYFNZHKO-HSZRJFAPSA-N 390.483 3.652 0 40 GHAB COCC(=O)N1CCCc2ccc(NC(=O)CCSc3ccccc3)cc21 38677747 HAJISYGIGXNVHA-UHFFFAOYSA-N 384.501 3.733 0 40 GHAB O=C1CSC(=O)N1[C@H]1CCCC[C@@H]1NC(=O)C1(c2cccs2)CCCC1 38679614 UDLWWBYQXKNSGO-KBPBESRZSA-N 392.546 3.683 0 40 GHAB CCCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1 1926441 SGTFREQJUWWFNC-UHFFFAOYSA-N 397.499 3.828 0 40 GHAB Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c1C 5234585 UBVJZDFKLFCMEM-UHFFFAOYSA-N 377.462 3.806 0 40 GHAB O=C(Oc1ccccc1)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 40024618 QEHIPBZWXTYYGN-UHFFFAOYSA-N 399.493 3.714 0 40 GHAB CN(C)C(=O)COc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 40140358 DTDNGKVYSWFTIY-UHFFFAOYSA-N 389.864 3.669 0 40 GHAB CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)c1 40112626 SWDSFIOMEXDPMC-HNNXBMFYSA-N 395.434 3.650 0 40 GHAB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(Cl)cc1 2463425 PUGVNTZCGAYKKC-HIFRSBDPSA-N 378.881 3.942 0 40 GHAB COC(=O)c1cc(O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc(C(=O)OC)c1 11204749 XINODXSFXNXHQL-ZDUSSCGKSA-N 395.411 3.700 0 40 GHAB COc1cc(CNC(=O)c2c(C)nn(C)c2Cl)ccc1OCc1ccccc1 11408280 VLQYDJLXCRVJHZ-UHFFFAOYSA-N 399.878 3.900 0 40 GHAB CNC(=S)N(CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O 920068 NARCXQPIIBZADS-UHFFFAOYSA-N 379.529 3.694 0 40 GHAB O=C(/C=C/c1cc(Br)ccc1F)Nc1ccc(-n2cccn2)nc1 29197195 LTKQFILJXXLSHV-FARCUNLSSA-N 387.212 3.821 0 40 GHAB COC(=O)c1ccn(-c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)n1 2498230 YAQLTWMJSDDPNB-UHFFFAOYSA-N 382.729 3.788 0 40 GHAB CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(F)c2)c2cccc(C)c21 32087765 ILILEIBOTREISY-QFIPXVFZSA-N 390.418 3.964 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 11657465 NCDNYZDOAWZLJQ-UHFFFAOYSA-N 378.432 3.708 0 40 GHAB CC(C)C[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 11677624 ARACZGFHWLTCGP-HXUWFJFHSA-N 386.517 3.744 0 40 GHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC[C@H](O)CN1CCN(c3ccccc3F)CC1)C2 101213985 VVIPELLXSTTWQD-SVVKQXANSA-N 390.543 3.540 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 32722152 OHWUSNVKTSUHGD-LPHOPBHVSA-N 398.890 3.832 0 40 GHAB COCc1c(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)oc2ccccc12 7450038 MQAMQXJSZBFUMP-UHFFFAOYSA-N 398.503 3.834 0 40 GHAB CCOc1ccc(-c2nc(CC(=O)N[C@H](c3nccn3C)C(C)C)cs2)cc1 32931733 QEMNXFYGPZKMSC-IBGZPJMESA-N 398.532 3.998 0 40 GHAB CCCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1OC 9063882 CNZHBWKHXZRZSG-UHFFFAOYSA-N 396.896 3.598 0 40 GHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cn2)cc1Cl 678987 QHGZIGPVPGFOSE-UHFFFAOYSA-N 384.686 3.933 0 40 GHAB Cc1sc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(C(N)=O)c1C 675514 AAYAGXVUKKBZTG-UHFFFAOYSA-N 389.546 3.888 0 40 GHAB COc1cccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)CCc2ccccc2)c1 663120 BMYNTSNTXDOMDS-IBGZPJMESA-N 392.377 3.624 0 40 GHAB O=C(CCc1ccc2c(c1)OCCO2)NCC1(N2CCCCC2)CCCCC1 22621258 COAVQIMOCYJNSK-UHFFFAOYSA-N 386.536 3.695 0 40 GHAB CCOc1cc(CNCc2cc(F)ccc2F)ccc1O[C@H](C)C(=O)N(C)C 105496341 XBPFPTDMIAJZDS-CQSZACIVSA-N 392.446 3.509 0 40 GHAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(Cc2cccnc2)CC1 43008131 IHQBJSHBHIDYKT-CQSZACIVSA-N 394.302 3.500 0 40 GHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(Cl)c(Cl)c1 25392023 IKAPOPRIXNDXMR-HNNXBMFYSA-N 385.316 3.858 0 40 GHAB O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 43740444 YMBYOHNZKARBBF-LBPRGKRZSA-N 398.875 3.850 0 40 GHAB CCc1[nH]c(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)c(C)c1C(=O)OC 26091397 QLHMAEOZWUZALZ-LBPRGKRZSA-N 383.404 3.640 0 40 GHAB Cc1cc(C)n(-c2ccc(CNC(=O)N[C@@H]3CCc4cc(F)ccc43)cn2)n1 56840230 SHOUFXBFLUXEFY-LJQANCHMSA-N 379.439 3.510 0 40 GHAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)cc(-c2nc3ncccc3o2)c1O 7505075 MBXOLPIYVDXFEC-UHFFFAOYSA-N 389.367 3.885 0 40 GHAB COc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3C)c2N)cc1Cl 57509174 XCKJRCMIMNIMKC-UHFFFAOYSA-N 392.246 3.726 0 40 GHAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2ccccc2)cc1OC 35685286 OSQGLTZXXSJTLQ-MRXNPFEDSA-N 392.415 3.739 0 40 GHAB O=C(Cc1ccccn1)N1CC[C@]2(CCCc3c2n[nH]c3-c2ccsc2)C1 306141553 WAGDLWSMSBRMJV-OAQYLSRUSA-N 378.501 3.582 0 40 GHAB Cc1n(-c2ccccc2)c2ccc(Cl)cc2[n+]1CCCCS(=O)(=O)O 1950670 JBVNIGZACVMWSG-UHFFFAOYSA-O 379.889 3.548 0 40 GHAB CC(C)Cc1nn2c(=O)c(NC(=O)c3ccc(C(C)(C)C)cc3)cnc2s1 408604354 IHICKGXJPXVRST-UHFFFAOYSA-N 384.505 3.899 0 40 GHAB O=C(COC(=O)CSc1ccc2ccccc2c1Br)NC1CC1 3216297 CNXAOEHBFALPJE-UHFFFAOYSA-N 394.290 3.516 0 40 GHAB Cc1ccc(-c2cnn([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)c(=O)n2)cc1 44804077 HVXLLKLIYDATOY-QGZVFWFLSA-N 376.460 3.739 0 40 GHAB COc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 10291476 RWNUPHWDKRKEOL-GFCCVEGCSA-N 384.259 3.965 0 40 GHAB COc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)cc1 27664538 ZZKWHPCGVWQFLX-JOCHJYFZSA-N 382.504 3.726 0 40 GHAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCNC(=O)c1ccccc1 12633756 GNWMMKBIUZXYQP-UHFFFAOYSA-N 379.382 3.530 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 2157669 AODXGIFIDRWVLU-GIPWTMENSA-N 399.443 3.704 0 40 GHAB biogenic CCn1c(=O)c(/C=C/c2ccccc2OC(F)F)nc2cc(C(=O)O)ccc21 7666724 YEILZEQFPISWBA-VQHVLOKHSA-N 386.354 3.886 0 40 GHAB CC(=O)Nc1ccc(/C=C/C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1 58310043 NBRUNOFAMUZREQ-MEJUDOHFSA-N 381.476 3.513 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccccn3)c2)cc1 10556757 JCIYVKDCFBPIJF-INIZCTEOSA-N 395.484 3.682 0 40 GHAB CC(C)c1cccc(NC(=O)c2cnn(-c3ccc(O)nn3)c2C(F)(F)F)c1 28433935 UNSTXKTZVFOCOO-UHFFFAOYSA-N 391.353 3.762 0 40 GHAB Cc1cc(C)c(OCC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C)c1 12765814 CYTAJYLLSMBETE-LJQANCHMSA-N 380.488 3.868 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)c12 12770487 FJHAOUCOPPNHDN-UHFFFAOYSA-N 387.443 3.867 0 40 GHAB CCCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)n[nH]c1=O 8474917 FRTUXXBCACHPCD-UHFFFAOYSA-N 384.461 3.505 0 40 GHAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1NC(=O)c1ccco1 3449195 OHEKHSMCXULTHL-RHSMWYFYSA-N 398.459 3.692 0 40 GHAB O=C(Nc1ccccc1F)N1CCN(CCOc2ccccc2Cl)CC1 12920006 MYKCJZUDGHKYBA-UHFFFAOYSA-N 377.847 3.708 0 40 GHAB Cc1cc(C(=O)CCC(=O)OCc2nc3c(C)cccc3c(=O)[nH]2)c(C)s1 8482119 HODPXUAACSCKFS-UHFFFAOYSA-N 384.457 3.616 0 40 GHAB Cc1ccc([C@H](CCC(=O)O)N2CCN(C(=O)c3ccccc3C)CC2)cc1 408603141 AXYPLCUBAMDGAS-NRFANRHFSA-N 380.488 3.667 0 40 GHAB O=C(Nc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6152843 CCTRYEYBURBVRO-QGZVFWFLSA-N 388.423 3.603 0 40 GHAB Cc1ccc(N2C(=O)N(c3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@@H]32)cc1C 4393483 BVEMVJDBQMLNOC-ROUUACIJSA-N 390.892 3.569 0 40 GHAB O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1)c1ccc(Cl)cc1 13944232 SNHVYDWLWAILOV-ZDUSSCGKSA-N 398.875 3.964 0 40 GHAB CC(C)(C)C(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccccc1F 14200601 PCGDTQDZYIMMCB-UHFFFAOYSA-N 387.407 3.615 0 40 GHAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nccn1-c1cccc(C)c1 6657536 SQADCNUOBOFGQT-HXUWFJFHSA-N 393.512 3.589 0 40 GHAB COc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)c1 4705322 VWWJDXLLZCEENR-HXUWFJFHSA-N 389.459 3.831 0 40 GHAB O=C(CSc1nncn1-c1ccccc1F)N[C@H]1CCCc2ccccc21 4890422 GDLYDIXESNJSSG-KRWDZBQOSA-N 382.464 3.692 0 40 GHAB C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)N1CCCC1 5989342 LFYCHUUMGRKKQC-KRWDZBQOSA-N 389.455 3.707 0 40 GHAB CCCCN(CC)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[C@H](C)CC 67238773 YMUWWYZBVXNQMA-CQSZACIVSA-N 378.542 3.745 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ncc(Cl)n1C 18034200 OLZJRCHWTLFCDU-UHFFFAOYSA-N 395.212 3.816 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)N[C@@H](c1ccc(F)cc1)c1cccs1 9690374 CZRRUSYARSKKHS-FQEVSTJZSA-N 393.443 3.503 0 40 GHAB CC[C@H](C)[C@@H](C(=O)Nc1nc2ccccc2s1)N1C(=O)c2ccccc2C1=O 9009526 KXJFMNCKOOEVRA-SJCJKPOMSA-N 393.468 3.946 0 40 GHAB Cc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1ccc(Br)cc1 9225441 DKBFZLLTFSOFCR-UHFFFAOYSA-N 389.253 3.736 0 40 GHAB CC(C)C[C@@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 9367235 CSGPDJHTUJRKLB-GOSISDBHSA-N 398.894 3.850 0 40 GHAB COc1cccc2c1O[C@H](C)C(=O)N(c1ccc(F)cc1Br)C2 77100666 CWVWVGQLWFBDBO-SNVBAGLBSA-N 380.213 3.911 0 40 GHAB C[C@@H](CNc1ccccc1)NC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 84640160 YDONTRJGHORUBI-ZWKOTPCHSA-N 382.508 3.702 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 95998722 DGPBMVWXKUIRHN-QGZVFWFLSA-N 396.491 3.567 0 40 GHAB CN(C)Cc1ccnc(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)c1 95983605 MIYBVJRBUBLKPI-UHFFFAOYSA-N 390.274 3.888 0 40 GHAB CCN(CC)Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 20462448 SRKFJSQXMCMQOO-UHFFFAOYSA-N 379.504 3.903 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccccc2)cc1 28208443 MKCQNDYXNZUELS-KRWDZBQOSA-N 388.533 3.527 0 40 GHAB Cc1ccn(-c2ccc(NC(=O)N[C@H](C)c3ccc4c(c3)CC(=O)N4)cc2)n1 500728012 IANNXPKOZHJHGM-CQSZACIVSA-N 375.432 3.558 0 40 GHAB O=C(Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1)C1CCCCC1 33268506 YDPMGKZXAAHVKU-UHFFFAOYSA-N 377.444 3.792 0 40 GHAB COCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccccc3F)cc12 2338423 UNQBNUYNBCQFOY-UHFFFAOYSA-N 385.391 3.648 0 40 GHAB biogenic CN(C)c1ccc(-c2noc([C@@H]3CCCN3CCCc3ccccc3)n2)cn1 35426251 GXNNLRSTPGJMMM-IBGZPJMESA-N 377.492 3.967 0 40 GHAB biogenic,in-vitro Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)NCCc2ccccc2F)cc1 32907393 DYJKFAACSXYUPR-OAQYLSRUSA-N 399.510 3.707 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C)c1ccc(OCC)c(OCC)c1 39538858 IVOZFZHPLJRXMJ-HNNXBMFYSA-N 394.471 3.788 0 40 GHAB O=S1(=O)C[C@@H]2N=C(SCc3ccccc3)N(c3ccc(Cl)cc3)[C@H]2C1 32640578 VPYAXLIUALVDPY-IRXDYDNUSA-N 392.933 3.615 0 40 GHAB Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc(Cc3nc[nH]n3)cc2)cc1 1566079296 OONSDLQWTMPEKH-RBBKRZOGSA-N 390.487 3.602 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)o1 33146477 MODOMRDERKGBQF-UHFFFAOYSA-N 391.276 3.916 0 40 GHAB COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2n2c(C)nnc12 64949031 KMNXIBWHOSRZBK-UHFFFAOYSA-N 393.472 3.634 0 40 GHAB COC(=O)c1ccc2c(=O)n(-c3ccc(C)c(F)c3)c(N3CCCCC3)nc2c1 49006449 DPPBMEXHQXYRTE-UHFFFAOYSA-N 395.434 3.610 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 224392891 XMPDKFPTUJHDRZ-LJQANCHMSA-N 390.886 3.965 0 40 GHAB CC[C@@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 223692004 CWBLKTLRIYJTJO-MRXNPFEDSA-N 381.881 3.633 0 40 GHAB COc1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 222866803 SXLSARZZDIZNFE-RGEXLXHISA-N 392.480 3.844 0 40 GHAB CCN1CCN(Cc2ccccc2CNC(=O)CCCc2cccs2)CC1 40089841 GAXIBFJYVLWLOU-UHFFFAOYSA-N 385.577 3.525 0 40 GHAB O=C(NCc1cccnc1-c1cccs1)c1ccc(N2CCOCC2)cc1 225761951 DLVSTYPRKUDXGD-UHFFFAOYSA-N 379.485 3.577 0 40 GHAB COc1ccc2cc([C@@H]3CC(O)=Nc4c3cnn4C(C)(C)C)c(=O)n(C)c2c1 49545487 XLLRHAWGSFCKIJ-AWEZNQCLSA-N 380.448 3.622 0 40 GHAB CN(c1ccc(CC(=O)Nc2cccc(Cl)c2Cl)cc1)S(C)(=O)=O 225977170 KEZNSASHBZLMML-UHFFFAOYSA-N 387.288 3.570 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1 224077542 OPHHPVLVDOLXTM-IBGZPJMESA-N 378.516 3.748 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)ccc1Cl 225677942 CSSHREONPPIVQT-ZDUSSCGKSA-N 381.881 3.783 0 40 GHAB CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1cccc(C)c1)S(C)(=O)=O 220494896 CRZQOYONLBQZBG-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 223533033 WUOCDIIRLYMFNW-IBGZPJMESA-N 382.504 3.707 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2C)c(C)c1C 225317551 XPXLVVRYGUNZSE-UHFFFAOYSA-N 379.547 3.832 0 40 GHAB CCOc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccco1 8877405 FHLVTFDCWIMZAH-UHFFFAOYSA-N 394.427 3.626 0 40 GHAB CC(C)n1cnc2c1[C@@H](C(=O)Nc1cccnc1)N(Cc1ccccc1)CC2 96037491 KGDLGXKUTSHDRJ-NRFANRHFSA-N 375.476 3.597 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 243419820 MSYWFZRIRNFLOJ-UHFFFAOYSA-N 388.533 3.833 0 40 GHAB CCOc1ccc(OCC)c(S(=O)(=O)n2cc(C)nc2-c2ccccc2)c1 256055528 JTDVCAKZIAJWDW-UHFFFAOYSA-N 386.473 3.893 0 40 GHAB CN(CC(=O)O)[C@@H]1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 263499185 SGPISSASBHBIHB-HXUWFJFHSA-N 381.476 3.756 0 40 GHAB CNC(=O)c1cccc(CCNC(=O)N2CCC[C@H]2c2c(C)cccc2C)c1 660730308 ZVRVGEDENVYIDT-FQEVSTJZSA-N 379.504 3.752 0 40 GHAB COC(=O)[C@@H]1CN(Cc2nc(-c3ccc(Cl)cc3)no2)Cc2ccccc21 599669906 GNFFPQGOHVNEDA-QGZVFWFLSA-N 383.835 3.662 0 40 GHAB CCC[C@H](CNC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C)OCC 1233698842 JMCOHDOFLGDRJD-CTAFRAEOSA-N 375.557 3.885 0 40 GHAB O=C([C@@H]1Cc2ccc(Cl)cc21)N1CCC(c2nc(-c3ccccn3)no2)CC1 630893665 JSSRSVAQLCJAAK-QGZVFWFLSA-N 394.862 3.831 0 40 GHAB CN=c1[nH]c([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)c2sccn12 585182416 PNZQZLNRALTBIG-KRWDZBQOSA-N 393.516 3.637 0 40 GHAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc(Cl)c(F)c1 585112708 UAYZISQLGAEXBN-LJQANCHMSA-N 399.853 3.768 0 40 GHAB O=C(CN(C[C@H]1CCCO1)C[C@H]1CCCO1)Nc1ccccc1-c1ccccc1 48375324 OAHJBWJJHBLPNW-NHCUHLMSSA-N 394.515 3.952 0 40 GHAB CN(C)CCN(Cc1cccnc1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 48303312 JBKSYAHZOFSEQK-UHFFFAOYSA-N 379.464 3.696 0 40 GHAB Cc1cc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC[C@@H](O)C4)cc3)cc2c1 72396156 ZWSHJVWYKIZDMQ-OAQYLSRUSA-N 377.488 3.718 0 40 GHAB CCOc1ccc(-c2nc(C(=O)N[C@@H]3Cc4ccccc4N(C)C3)cs2)cc1 1648176993 JXEXIRFCMLJPFY-QGZVFWFLSA-N 393.512 4.000 0 40 GHAB COc1ccc(CCN(C)C(=O)COc2ccc(Cl)c(C)c2)cc1OC 5955270 YTVURCUXYIEIMN-UHFFFAOYSA-N 377.868 3.746 0 40 GHAB Cc1cc2oc(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)cc(=O)c2cc1C 12198446 QXPAQWIIQYRQPT-SFHVURJKSA-N 382.435 3.582 0 40 GHAB CCOc1ccc(OCCC(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 15225183 VEFNGSKSVPXAEO-INIZCTEOSA-N 399.443 3.627 0 40 GHAB CCC(=O)Nc1ccccc1SCc1cc(=O)n2nc(C(C)C)sc2n1 15731959 LOAONGVJEMVYPF-UHFFFAOYSA-N 388.518 3.915 0 40 GHAB O=C(OCc1cc(=O)n2c(-c3ccccc3)csc2n1)c1ccc(F)cc1 15734232 FSZDVYQZEWHEAA-UHFFFAOYSA-N 380.400 3.919 0 40 GHAB CC(C)c1nnc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)s1 15936094 BDUWANIGYVPLPB-LBPRGKRZSA-N 391.472 3.683 0 40 GHAB COc1ccc(-c2cs/c(=N\C(=S)NC(=O)c3cc(C)cc(C)c3)[nH]2)cc1 17081323 GOIWQGNQLHPRCP-UHFFFAOYSA-N 397.525 3.984 0 40 GHAB O=C(NCCSCc1ccccc1)c1ccc(I)cc1 18150049 NXNKWGYBZIXPIG-UHFFFAOYSA-N 397.281 3.954 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H](C)Cn2cc(Cl)cn2)c1 19457316 SMGAZKLTLSZNBX-CXAGYDPISA-N 377.872 3.554 0 40 GHAB CCCN1CCC(C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)CC1 19502603 OFFSWJAXDFTAMQ-GOSISDBHSA-N 376.472 3.764 0 40 GHAB CN(C)CCn1cc(CN(Cc2ccccn2)C[C@@H]2CCCO2)c2ccccc21 19583308 VKVVVMAVBUNDAT-QFIPXVFZSA-N 392.547 3.779 0 40 GHAB Cc1c(-c2csc(NC(=O)c3cc(-c4cccc(F)c4)no3)n2)cnn1C 19667008 CJVNEPKLZQELOU-UHFFFAOYSA-N 383.408 3.898 0 40 GHAB Cc1nc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)nc2c1CCCN2C 19707187 NXJUPJREBUBACL-IBGZPJMESA-N 378.520 3.506 0 40 GHAB CC(C)(C)[C@@H]1CCc2onc(C(=O)N3CCCN(Cc4ccccn4)CC3)c2C1 19716182 KCWAZPXUDKXJEE-QGZVFWFLSA-N 396.535 3.569 0 40 GHAB CCc1ccc2[nH]c3nc(SCC(=O)NCc4ccccc4F)nnc3c2c1 35312710 MJCJVJZVRHRPHP-UHFFFAOYSA-N 395.463 3.616 0 40 GHAB C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCC(C(=O)N2CCCCC2)CC1 8938316 WXATZSMUULWRAJ-AWEZNQCLSA-N 395.906 3.531 0 40 GHAB CC(=O)c1ccccc1NC(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12 5938285 PRENFMYQGLRWJN-GOSISDBHSA-N 378.457 3.995 0 40 GHAB O=C(NCc1ccccc1F)c1ccccc1NS(=O)(=O)c1cccs1 7027469 MOLVTGNJWPFJAG-UHFFFAOYSA-N 390.461 3.618 0 40 GHAB CCOC(=O)Nc1ccc2c(COc3ncnc4sccc34)cc(=O)oc2c1 8429040 UAQNSYPPUJXCMV-UHFFFAOYSA-N 397.412 3.945 0 40 GHAB Cc1nc(-c2cc(C)n(CC(=O)NCc3ccc4c(c3)OCO4)c2C)cs1 26023108 GDMIRSKOIICSDB-UHFFFAOYSA-N 383.473 3.582 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909265 JVSBFBPBUMJZPM-FQEVSTJZSA-N 377.843 3.915 0 40 GHAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1 917147 VXECDCOCNIYCFF-AWEZNQCLSA-N 391.493 3.637 0 40 GHAB CCOc1ccc2nc(N(Cc3cccnc3)C(=O)C3=COCCO3)sc2c1 4273180 KYMBUCPRGWBLEC-UHFFFAOYSA-N 397.456 3.511 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3ccccc3)c(O)n2)c1 4317395 YNWSMKCKYQOANM-UHFFFAOYSA-N 380.473 3.516 0 40 GHAB Cc1ccc(CNC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)cc1 4392266 HMMUIOZNTTVIOY-UHFFFAOYSA-N 384.530 3.934 0 40 GHAB CCC(=O)Nc1ccc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nn1 11738952 BIEOGZOPKBZKIP-UHFFFAOYSA-N 384.383 3.575 0 40 GHAB O=C(/C=C\c1ccc2c(c1)OCO2)Nc1c2c(nn1-c1ccccc1)CSC2 17192523 UKRRCZVNHBYRLH-CLFYSBASSA-N 391.452 4.000 0 40 GHAB COc1cccc([C@H](CNC(=O)Nc2cccc(Cl)c2)N2CCOCC2)c1 23105973 SVOUXLBNTIYZEG-IBGZPJMESA-N 389.883 3.544 0 40 GHAB Cc1nccc(O[C@H]2CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)n1 575610644 WUTOHJCKSFLUMR-NRFANRHFSA-N 387.483 3.987 0 40 GHAB COc1ccc(OCCN(C)Cc2c([C@H]3CCCNC3)[nH]c3ncccc23)cc1 19586158 GIUXJDBIZFHGPF-KRWDZBQOSA-N 394.519 3.549 0 40 GHAB NC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 12050375 NQLVJBCUNXDTMF-JOCHJYFZSA-N 381.435 3.858 0 40 GHAB Cc1cc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3cnn(C(C)C)c3n2)c(C)o1 40040825 LERTZMCDFUGROP-HNNXBMFYSA-N 382.464 3.798 0 40 GHAB C[C@@H]1C(=O)N(Cc2nc3cc(Cl)ccc3n2C)C(=O)N1c1ccc(F)cc1 40116449 XFCGFNIKHQPDCO-LLVKDONJSA-N 386.814 3.723 0 40 GHAB Cc1ccc([C@H]2CC(C(=O)Nc3cc(Cl)ccc3-n3cncn3)=NO2)cc1 40157969 XNBLSTGXFHXQJG-GOSISDBHSA-N 381.823 3.685 0 40 GHAB COc1ccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccc(F)cc4)c32)cc1O 40288607 BVLIBTUEAFHHRK-CQSZACIVSA-N 396.374 3.503 0 40 GHAB Cc1cccc(OCCNC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 31028545 APQJZKIHKAPYHF-UHFFFAOYSA-N 387.867 3.976 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12 942214 FIXUFYHBFTYSII-UHFFFAOYSA-N 378.457 3.930 0 40 GHAB CCCCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 2172716 BYZVOEPHDKKTMB-UHFFFAOYSA-N 393.534 3.723 0 40 GHAB CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](O)CC(=O)O 2598926 JGUYYODGVQXZAY-NHCUHLMSSA-N 397.471 3.775 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)c1C 2663771 HHTJQIRBVVFTLP-UHFFFAOYSA-N 398.246 3.640 0 40 GHAB C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N1CCc2ccccc2C1 2664971 ZLOWSFHSZXFTBZ-OAHLLOKOSA-N 394.496 3.746 0 40 GHAB CCCCOc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1 3765113 STYWVPJADHBCHK-LJQANCHMSA-N 391.489 3.668 0 40 GHAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 4124297 VRJYAOSQBPBCPN-BCWBERDBSA-N 380.878 3.986 0 40 GHAB CCCCNC(=S)N(Cc1cccnc1)Cc1cc2ccc(C)cc2[nH]c1=O 4127449 NYQYGRMXOFARFJ-UHFFFAOYSA-N 394.544 3.908 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(F)c(F)cc2Cl)c1C 4847077 LXPFKWFZOPLJRA-SECBINFHSA-N 399.777 3.778 0 40 GHAB COc1ccc(Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CCC(C)CC2)cc1 4847670 MSBFZSOMAIPIBS-OAQYLSRUSA-N 395.482 3.690 0 40 GHAB CCOC(=O)Cn1nc(-c2ccccc2)c2cnc3cc4c(cc3c21)OCO4 4969989 RBWGYZSGITXGEO-UHFFFAOYSA-N 375.384 3.543 0 40 GHAB CCc1ccc(CN(C(=O)/C=C/c2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 5026050 JPLBGMUDJNWXHL-CHHLAKQQSA-N 397.540 3.787 0 40 GHAB CN(C(=S)NC[C@H]1CCCO1)[C@@]1(c2ccccc2Cl)CCCCC1=O 5127211 NPBKRIYVMRTXJL-AUUYWEPGSA-N 380.941 3.664 0 40 GHAB O=C1CN(C(=O)COC(=O)c2cc3c(s2)CCCCCC3)c2ccccc2N1 5302134 XPOCJRJJFIKVIX-UHFFFAOYSA-N 398.484 3.549 0 40 GHAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(F)cc2)no1 5322714 ATJATURUGYCNQY-SFHVURJKSA-N 376.343 3.978 0 40 GHAB CCC(CC)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(OC)c(OC)c1 5642632 UHWKPULSJKLYQE-QGZVFWFLSA-N 391.493 3.742 0 40 GHAB CN(Cc1cccs1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 5704406 QXNDDVGJOCZCLA-FQEVSTJZSA-N 378.497 3.748 0 40 GHAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)o2)c1C 6100208 VCFATQASMLCODP-CYBMUJFWSA-N 386.477 3.732 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)on3)sc2C)cc1 6680174 FIRTVJIYSAAOCN-UHFFFAOYSA-N 391.474 3.714 0 40 GHAB CCSc1nnc(NC(=O)c2nc(SC(C)C)ncc2Cl)s1 6748109 NISLKNRLIPPKKA-UHFFFAOYSA-N 375.932 3.846 0 40 GHAB CC(C)Sc1nc(SCC(N)=O)c2sc3c(c2n1)COC(C)(C)C3 6764605 RCWGHZWDXBHABS-UHFFFAOYSA-N 383.564 3.621 0 40 GHAB CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCCOc1ccccc1 6961176 FWGTVUJBUWCGDY-NBVRZTHBSA-N 392.455 3.729 0 40 GHAB O=C(CSc1nnc(NC2CC2)s1)Nc1ccc(N2CCCCC2)cc1 7304935 ROGWJNMKTGIWKX-UHFFFAOYSA-N 389.550 3.834 0 40 GHAB CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1ccc(NC(C)=O)cc1 7605238 NXBNQHYTJITLEA-UHFFFAOYSA-N 396.472 3.914 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)cc2Cl)cc1 7787255 BXOLEZGQEPBXBI-QGZVFWFLSA-N 396.871 3.579 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)NC1CCCCC1 7939881 YHXLPKQQVIIDRB-UHFFFAOYSA-N 394.899 3.749 0 40 GHAB Cc1cc(=O)n2nc(CN3CCCC[C@@H]3c3nc4ccccc4s3)sc2n1 8005383 UJVDTLYLEYSPAU-CQSZACIVSA-N 397.529 3.796 0 40 GHAB CC1CCN(c2ccc(NC(=O)CNC(=O)c3ccccc3Cl)cc2)CC1 8170172 RTGYMEVIFMTUGB-UHFFFAOYSA-N 385.895 3.945 0 40 GHAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(Br)c(C)c1C 8433637 PEXNNWNIJSNNAM-UHFFFAOYSA-N 392.249 3.870 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 8517753 QXBVQWIMKAGNRE-UHFFFAOYSA-N 391.377 3.975 0 40 GHAB CC1(C)OC(=O)C2(Cc3ccccc3N3CC[C@@H](c4ccccc4)C[C@@H]32)C(=O)O1 8753587 FFKMTTGOGWVVPB-YLJYHZDGSA-N 391.467 3.818 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810746 PBUQLQMIKUPHSM-GFCCVEGCSA-N 382.432 3.684 0 40 GHAB CCOc1ccc(-n2c(SCc3nnc(C)o3)nnc2-c2ccncc2)cc1 9157212 QSXNLRDMPLXUAU-UHFFFAOYSA-N 394.460 3.712 0 40 GHAB CCn1nc(NS(=O)(=O)c2ccc(OC)cc2)c2cc3cc(C)ccc3nc21 9331105 XHDINUNGCDLSRA-UHFFFAOYSA-N 396.472 3.722 0 40 GHAB COc1ccccc1[C@H](CNc1ncnc2c1cnn2-c1ccccc1)N(C)C 9513530 VBYZOICUEQVDQV-IBGZPJMESA-N 388.475 3.539 0 40 GHAB COC(=O)c1cccc(CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)c1 9638401 VTRKIOYGZIFJNW-HSZRJFAPSA-N 388.423 3.594 0 40 GHAB CS(=O)(=O)c1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1 10386655 CLODVUJRHXVYFU-UHFFFAOYSA-N 388.558 3.742 0 40 GHAB CCn1c(SCc2nc(-c3ccc(F)cc3)no2)nc2ccccc2c1=O 10418996 LYJFQBYRNLMHRA-UHFFFAOYSA-N 382.420 3.898 0 40 GHAB CCc1cc(C(=O)N(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)sc1C 10701883 PHZXTSCPPUVEQJ-UHFFFAOYSA-N 387.505 3.678 0 40 GHAB C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)NC1CCCC1 10775211 GOEQGCRPKZRCRY-CYBMUJFWSA-N 376.551 3.732 0 40 GHAB Cc1cc(C)c(NC(=O)CNc2ccc(N3CCCCC3)cc2C(N)=O)c(C)c1 11010030 IEIKBCAAYOTVKM-UHFFFAOYSA-N 394.519 3.752 0 40 GHAB CN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1 12325075 QTLUVUGKTKECIF-UHFFFAOYSA-N 398.688 3.700 0 40 GHAB CC(C)NC(=O)Cn1cc(CN2CCC(c3ccncc3)CC2)c2ccccc21 12363738 AFWFSQHWWZVBGG-UHFFFAOYSA-N 390.531 3.941 0 40 GHAB O=C(NC1CC1)[C@H](Nc1cccc(I)c1)c1ccccc1 12555683 QQYDFKYQKTVLAE-MRXNPFEDSA-N 392.240 3.723 0 40 GHAB Cc1cc(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)c2)no1 12605544 NDRYTMOZHXYLSI-UHFFFAOYSA-N 385.445 3.653 0 40 GHAB CC(C)[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1nc2ccccc2[nH]1 12789032 FKLYNGHWOJHYOJ-JOCHJYFZSA-N 390.487 3.746 0 40 GHAB CC[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(Br)cc1 12819186 JIBDEXYPKCNKSK-AWEZNQCLSA-N 389.249 3.661 0 40 GHAB Oc1cc(-c2ccccn2)nc(C2CCN(Cc3ccc(F)c(F)c3)CC2)n1 13267958 ZQQLPQUDZFYKSM-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCN(C)CC4)cc3)cc12 13562987 WUYJJYGRURWWKZ-UHFFFAOYSA-N 376.504 3.509 0 40 GHAB COc1cc(C(=O)NCCCc2cccc(OC(C)C)c2)cc(OC)c1OC 13669285 OVNJOLRBCRAXGN-UHFFFAOYSA-N 387.476 3.862 0 40 GHAB CC(C)C(=O)Nc1ccc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nn1 13702082 VFIWSLXXYNZJAW-UHFFFAOYSA-N 398.410 3.821 0 40 GHAB CSCC[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1nnc2ccccn12 15971963 CQKSPLOWMOMKJT-LLVKDONJSA-N 396.303 3.655 0 40 GHAB O=C1CS[C@@H](c2cccs2)N1CCN1C(=O)CS[C@@H]1c1cccs1 17176163 QOECHTBSDVADOD-IYBDPMFKSA-N 396.584 3.658 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2)cc1 18077281 YJBGNOQZMPHRAA-UHFFFAOYSA-N 394.924 3.942 0 40 GHAB COc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)c1 18241422 HQLQDGUDNFNKJG-OALUTQOASA-N 378.428 3.627 0 40 GHAB O=S(=O)(c1ccccc1)N1CCCC[C@@H]1c1nnc(-c2cccs2)o1 19373648 NCCNURVOOCONEN-CQSZACIVSA-N 375.475 3.714 0 40 GHAB Cc1c([C@@H](C)NC(=O)CC2CCN(C(=O)CC3CCCCC3)CC2)cnn1C 19748333 VKGYORNAYHEOEG-MRXNPFEDSA-N 388.556 3.505 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c(C)c1 20034933 KEQXUEXACHYKCR-CYBMUJFWSA-N 380.897 3.819 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC(C)C)cc2)cc1 20062771 SAKFABJMQOLQRU-UHFFFAOYSA-N 392.546 3.619 0 40 GHAB CCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 20448374 GRMOQXBTSOQPMU-CYBMUJFWSA-N 392.908 3.620 0 40 GHAB CCSc1ccccc1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 20495693 CFOMMGWOEMUCPA-UHFFFAOYSA-N 392.546 3.820 0 40 GHAB O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccc2nsnc2c1 21595726 CCCZNILVNJWTAM-UHFFFAOYSA-N 382.392 3.837 0 40 GHAB COc1c(C)cccc1C(=O)NC(=S)Nc1c(Cl)ccc2nsnc12 21596104 DBARADIDXRCUQY-UHFFFAOYSA-N 392.893 3.789 0 40 GHAB O=C(NCCOc1cccc(C(F)(F)F)c1)c1cc2ccccc2oc1=O 23142502 BAZSDZPNOXLDMH-UHFFFAOYSA-N 377.318 3.621 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)CCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 24523030 UJNBMDBZMWBQHZ-QWRGUYRKSA-N 383.275 3.769 0 40 GHAB Nc1nccnc1C(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 24925033 FHUWLKSHUPITAS-UHFFFAOYSA-N 380.260 3.665 0 40 GHAB Cc1cccc(NC(=O)NCC(=O)Nc2cccc(-c3ccnc(C)n3)c2)c1 25169038 CLGNTXFVOFSDPB-UHFFFAOYSA-N 375.432 3.521 0 40 GHAB CC[C@@H](CNC(=O)N(C)Cc1ccc(OC)cc1)N1CCc2ccccc2C1 28391825 FKAYOCWWSJPWNF-NRFANRHFSA-N 381.520 3.674 0 40 GHAB CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc(OC)cc1OC)c1ccsc1 29415507 TUIZVBDPVKTQCD-RQMBKDMJSA-N 388.533 3.978 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1N1CCCC1=O 30751443 JZWOFYLDVOZBCW-UHFFFAOYSA-N 394.880 3.585 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2c(C)nn(COc3cccc(F)c3)c2C)cc1 32501700 DAAZPYFGAKEAEH-UHFFFAOYSA-N 389.452 3.785 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1OC 36614172 GIKMHAILODUVTP-NSHDSACASA-N 381.432 3.917 0 40 GHAB CCOc1ccc(C(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)cc1 36700086 XVMMSCZJUYJKOG-QFIPXVFZSA-N 382.504 3.669 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38728437 WCFMOSAYUULVGY-XZOQPEGZSA-N 399.494 3.565 0 40 GHAB COc1cc(NC(=O)/C=C/c2ccccc2)c(C(=O)N2CCCCC2)cc1OC 40087610 GVNQKBUXZGJYJA-VAWYXSNFSA-N 394.471 3.982 0 40 GHAB Cc1cc(NC(=O)N2CCN(c3nccs3)CC2)ccc1Br 40097464 ZMIAJBLZTCPQEC-UHFFFAOYSA-N 381.299 3.568 0 40 GHAB CC(C)CC(=O)Nc1ccc(NC(=O)N2CCN(Cc3ccco3)CC2)cc1 40104676 CMCRQSNFTSVVHT-UHFFFAOYSA-N 384.480 3.614 0 40 GHAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 40160276 HQTXLRHTVQEJCV-LJQANCHMSA-N 392.421 3.705 0 40 GHAB O=C(N[C@@H]1CCCCNC1=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 56977457 JFJYSHJQCBUXLT-GOSISDBHSA-N 393.418 3.546 0 40 GHAB Cc1cc(NC(=S)NC(=O)C(C)(C)C)cc(C)c1I 57315633 UQJFXQCNLIDMLL-UHFFFAOYSA-N 390.290 3.767 0 40 GHAB CC(C)C[C@@H](c1nnnn1C(C)C)N1CCN(c2nc3ccccc3s2)CC1 57670197 SGOWZXSEGSBGHL-KRWDZBQOSA-N 399.568 3.773 0 40 GHAB CC[C@@]1(c2ccc(C)cc2)NC(=O)N(CN(Cc2ccc(F)cc2)C2CC2)C1=O 58173556 GGJYYCVJZHICAN-QHCPKHFHSA-N 395.478 3.913 0 40 GHAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C)c(OC)c2)c1C 58225527 NYPRBBOPJNBHHQ-UHFFFAOYSA-N 376.478 3.716 0 40 GHAB Cc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2Cl)N2CCCC2)o1 58227725 JKAFOLNSLIGFBJ-DOTOQJQBSA-N 376.884 3.962 0 40 GHAB O=C1N(CN(C2CCCC2)C2CC2)C(O)=N[C@]1(c1ccccc1)C(F)(F)F 58305221 DWRVTUMOTMLCTH-SFHVURJKSA-N 381.398 3.565 0 40 GHAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1nnc(C2CCC2)s1 61721140 TVLOVANLQHZJCF-UHFFFAOYSA-N 397.504 3.715 0 40 GHAB CCn1c(CCNS(=O)(=O)C2=Cc3ccccc3CC2)nc2ccccc21 65975118 NMFICNUZZWXIAK-UHFFFAOYSA-N 381.501 3.505 0 40 GHAB COc1ccc(Cc2noc(C3(c4ccc(OC)cc4)CCOCC3)n2)cc1 69968890 SSILAXYYPMYCQJ-UHFFFAOYSA-N 380.444 3.774 0 40 GHAB COc1ccccc1C1(CNC(=O)c2coc(Br)c2)CCOCC1 70014236 PCFUXWJOYJXUCK-UHFFFAOYSA-N 394.265 3.529 0 40 GHAB O=C(Nc1cc(Br)ccc1-n1cncn1)c1cccc2ncccc12 72050930 KBCSYQPWVNIZGE-UHFFFAOYSA-N 394.232 3.830 0 40 GHAB CCO[C@H](CCNC(=O)CNC(=O)c1ccc2ccccc2c1)C1CCCC1 72309616 FDGFGHNJWZBMHH-OAQYLSRUSA-N 382.504 3.671 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)NCc2ccccc2C(F)(F)F)cc1 72333937 XFQIVGSEKQAZQC-UHFFFAOYSA-N 381.350 3.577 0 40 GHAB O=C(c1cnccn1)N1CCC(c2cccc(Oc3cccc(F)c3)n2)CC1 72383799 LCTQBNUCAWYDRM-UHFFFAOYSA-N 378.407 3.823 0 40 GHAB O=C(OC1CN(c2nc3c(Cl)cccc3s2)C1)c1cc(C2CC2)on1 77101430 UTIQSCNXQZOKBQ-UHFFFAOYSA-N 375.837 3.861 0 40 GHAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@@H](C[S@](C)=O)c1ccccc1 78879118 NBTVGHBHVBWBTN-OGHKIJNOSA-N 385.529 3.741 0 40 GHAB C[C@H]1CN(C(=O)c2cscn2)c2ccccc2N(Cc2ccccc2)C1=O 79025069 BMINPYHETCZEJE-HNNXBMFYSA-N 377.469 3.973 0 40 GHAB Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H]1CCO[C@H](C)C1 95457817 BHZOQQSHUQHHPO-DOMZBBRYSA-N 375.494 3.524 0 40 GHAB O=C1[C@H](Cc2nc3ccccc3o2)n2nc(-c3ccccc3)nc2[C@H]2CCCN12 95459212 FDZMCLWHEALDDU-SJORKVTESA-N 385.427 3.547 0 40 GHAB CN(C)[C@H](CNc1ccc(C(=O)N2CCc3ccccc32)cn1)c1ccco1 95958749 WTNQIVQYKHPPFY-LJQANCHMSA-N 376.460 3.592 0 40 GHAB COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccsc1)CC2 96061342 PBPOOVSFEOVRHD-FQEVSTJZSA-N 384.545 3.745 0 40 GHAB CN(Cc1ccccc1)[C@H]1COC2(CCN(C(=O)Cc3ccsc3)CC2)C1 96221020 APLSRFZLSGFFNH-HXUWFJFHSA-N 384.545 3.573 0 40 GHAB CN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cccs1)CC2 96263356 VDNLMQXCIJPKLQ-UHFFFAOYSA-N 392.528 3.689 0 40 GHAB O=C(C1CCCC1)N1C[C@H]2CCC[C@H](C1)C2n1nc(-c2ccccc2)ccc1=O 100762760 MUOJHTVXQVYHBU-WOJBJXKFSA-N 391.515 3.900 0 40 GHAB O=C1C[C@H](Nc2cccc(Cl)c2)C(=O)N1c1ccccc1Br 101276935 PVDPLBQQFHXKNZ-ZDUSSCGKSA-N 379.641 3.847 0 40 GHAB Cc1ccc(NC(=O)[C@H]2[C@H]3NC(=O)N[C@@]2(C)Oc2ccc(Cl)cc23)c(C)c1 101353224 JANQVYAXHZMUNH-UWVAXJGDSA-N 385.851 3.674 0 40 GHAB Cc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)c(C)c1 197681792 ZOWYWWRMWYWESC-UHFFFAOYSA-N 384.860 3.501 0 40 GHAB O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1cc(-c2ccc(F)cc2)c[nH]1 206833471 UIEBKFVBVBHIAM-AWEZNQCLSA-N 384.480 3.924 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)c1ccc(C)c(C)c1)N(c1ccccc1)S(C)(=O)=O 219087486 SMVXCNHJIBTPRY-FXAWDEMLSA-N 388.533 3.725 0 40 GHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 219318961 VFNVJEDTGIYGIB-SFHVURJKSA-N 381.432 3.527 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(=O)O)c1 222798508 MEIMHXFRTIFNKU-MOPGFXCFSA-N 392.484 3.563 0 40 GHAB CC[C@@H](C(=O)NCc1cccc2ccccc12)N(c1ccccc1)S(C)(=O)=O 222865847 QBVJENORNJPXPB-NRFANRHFSA-N 396.512 3.701 0 40 GHAB CCOC(=O)c1sc(NS(=O)(=O)c2cc(C(C)C)ccc2OC)nc1C 223263108 UEKMTAQTILFCIN-UHFFFAOYSA-N 398.506 3.561 0 40 GHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)[nH]1 224034505 SZBPLLUMFQPBFH-RTBURBONSA-N 378.457 3.624 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NC3CCCCC3)c2)cc1 224259219 OMDFDJOSKLWQGW-UHFFFAOYSA-N 386.517 3.883 0 40 GHAB CC[C@H](C)NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224327867 IMHBXVHIZQLKDZ-ZDUSSCGKSA-N 380.897 3.693 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)NCCCc2cccc3ccccc23)c1 225526876 ICUQUAMTKDEVQQ-UHFFFAOYSA-N 383.469 3.538 0 40 GHAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)Cn3cc(C)cn3)o2)c1 257217611 CZTGIHMEKHHOSL-FQEVSTJZSA-N 394.475 3.533 0 40 GHAB Cc1ncsc1C(=O)N1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1 257336802 YQCFXNNULSZAIN-IBGZPJMESA-N 379.485 3.651 0 40 GHAB Cc1ccsc1CN1CCN(C)[C@H](c2cn3c(N4CCCC4)cccc3n2)C1 306132583 LMWJDDYVHPYUFZ-IBGZPJMESA-N 395.576 3.793 0 40 GHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(C)cc2C)c(F)c1F 408624264 BWUYJCBDMQLBBA-UHFFFAOYSA-N 386.370 3.995 0 40 GHAB Cc1ccc(-c2nnc(CN(C)C(=O)c3occc3Br)o2)cc1 408714006 GIJRPATXXRNECS-UHFFFAOYSA-N 376.210 3.673 0 40 GHAB CCCN1C(=O)N/C(=C/c2ccc(O[C@H](C)CC)c(Br)c2)C1=O 409245915 AVTBERUATUDFFF-ZTMOJVSCSA-N 381.270 3.929 0 40 GHAB O=C(O)C[C@H]1CCCN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)C1 516856342 COOSBMJJQVBSOG-SNVBAGLBSA-N 380.857 3.577 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1csc2ccccc12)N(C)C 575620053 IFRQOJGLMDFCCG-QGZVFWFLSA-N 392.521 3.930 0 40 GHAB Cc1cc(=NC(=O)N2CC(C)(C)[C@H]2c2ccncc2)[nH]n1-c1cccc(F)c1 583365065 WBWDZGIBNWCYRX-LJQANCHMSA-N 379.439 3.752 0 40 GHAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(C(=O)/C=C/c3ccco3)C2)n1 585291641 DVUYFDXRLNCNSZ-NFAHFFEMSA-N 395.488 3.916 0 40 GHAB C[C@H](NC(=O)N[C@@]1(c2ccccc2)CC1(C)C)c1ncc(Br)cn1 664955759 NOEGXYJXNSPBET-KPZWWZAWSA-N 389.297 3.925 0 40 GHAB NC(=O)[C@H]1CC[C@@H](c2nc(C3(c4cccc(Cl)c4)CCCCC3)no2)O1 1549561238 JMGLQFSQYZJGIN-CABCVRRESA-N 375.856 3.679 0 40 GHAB Cc1cc(OC[C@@H]2CCCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)ccn1 1776001088 YKORUACVGZENQC-CQSZACIVSA-N 379.382 3.735 0 40 GHAB Fc1ccccc1N1CCN(c2cc(C3CCOCC3)nc(C3CC3)n2)CC1 1888888257 ZZWCPEQBQZGPKZ-UHFFFAOYSA-N 382.483 3.714 0 40 GHAB CC(=O)Nc1sc(CN2CCN(C)CC2)cc1-c1nc2ccccc2s1 1888890111 SGPMMVQIFJHMCQ-UHFFFAOYSA-N 386.546 3.731 0 40 GHAB CC(=O)c1ccc(N2C(=O)N(CC3CCC3)c3ccccc3S2(=O)=O)cc1 1889022316 GNMJIAFJQUXCHW-UHFFFAOYSA-N 384.457 3.825 0 40 GHAB Cc1nc(C)c(CN2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)s1 2087128256 RRTYLIGWUMJXCH-HIFRSBDPSA-N 382.455 3.884 0 40 GHAB O=C(NCCCCOc1ccccc1)c1ccccc1I 11079351 KOHRVZDPLSZXBR-UHFFFAOYSA-N 395.240 3.880 0 40 GHAB Cc1ccc(-n2nc(C)cc2NC(=O)CN2CCC[C@@H]2c2cccn2C)cc1 7855710 LIVTXTHJMRHQRR-HXUWFJFHSA-N 377.492 3.603 0 40 GHAB CCOC(=O)c1cnn(-c2nc(-c3cccc(N)c3)cs2)c1C(F)(F)F 1407127 BUGYNEWCISEZCF-UHFFFAOYSA-N 382.367 3.774 0 40 GHAB CCCNC(=O)c1cnc(Sc2ncc(C(F)(F)F)cc2Cl)n1C 3134767 PDCQINGPQVQZBO-UHFFFAOYSA-N 378.807 3.778 0 40 GHAB CC(C)c1ccc(-c2nnc(NC(=O)Cn3c(=O)oc4ccccc43)s2)cc1 7988418 URELFYCVVYFRRD-UHFFFAOYSA-N 394.456 3.875 0 40 GHAB CC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 7070258 IZXRYYHXRRBNMH-SJORKVTESA-N 388.533 3.573 0 40 GHAB CCCc1nnc(NC(=O)c2c(Br)c3ccccc3n2C)s1 46691150 VMQFSGPNHAEUPW-UHFFFAOYSA-N 379.283 3.997 0 40 GHAB COc1ccc(OCCC(=O)OCC(=O)c2ccc(Br)s2)cc1 9746824 KGNFVWSMHOKHBR-UHFFFAOYSA-N 399.262 3.714 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2C)cc1 8007856 ALLLRWBORIVSCU-SFHVURJKSA-N 392.908 3.749 0 40 GHAB Cc1noc(C)c1CCC(=O)Nc1nc(CN2C[C@@H](C)C[C@H](C)C2)cs1 22296622 DMYAAGQAKYELCL-STQMWFEESA-N 376.526 3.797 0 40 GHAB O=C(CSc1cccc[n+]1[O-])Nc1ccc(N2CCc3ccccc32)cc1 53356673 MSKNEMMPVRMZLC-UHFFFAOYSA-N 377.469 3.745 0 40 GHAB COc1ccc(OC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 20443403 REDPXXNBCHFTKR-UHFFFAOYSA-N 380.366 3.931 0 40 GHAB O=C1CCSc2ccc(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)cc2N1 23100845 XILPRYSOJXIEJP-KRWDZBQOSA-N 398.484 3.931 0 40 GHAB O=C(Oc1ccc(F)cc1F)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 54447535 XKDXHMQZFZQITE-LBPRGKRZSA-N 378.350 3.953 0 40 GHAB COc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c(OC)c1OC 24209745 FARJDPADNYOXJU-CQSZACIVSA-N 377.437 3.818 0 40 GHAB CCN1CCN(C(=O)c2cc(C(C)(C)C)cc(Br)c2OC)CC1 57339307 YQTIJWUVLCPJAS-UHFFFAOYSA-N 383.330 3.533 0 40 GHAB O=C1N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 1242354 OZKFEPIREITUCS-HOTGVXAUSA-N 397.283 3.606 0 40 GHAB COc1cccc(-c2n[nH]c3c2[C@@H](c2cccc(Br)c2)NC3=O)c1 1404863 WZJIUVGNNOPSDH-OAHLLOKOSA-N 384.233 3.681 0 40 GHAB C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2F)C1 107343432 PWKBUFRSDKQZQC-UXLLHSPISA-N 378.463 3.792 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1OC 8160779 UCMZOWHZLLVTMT-KMDKVFFASA-N 383.444 3.914 0 40 GHAB CCCCOC(=O)[C@@H](C)n1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 1785026 TXTGKXFMRSDIMB-CHWSQXEVSA-N 391.537 3.908 0 40 GHAB Nc1cc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)ccc1Cl 3297675 DJVKGHJWLXLXNZ-UHFFFAOYSA-N 387.867 3.708 0 40 GHAB CN(C)CCn1c(=O)n(C2CCCCC2)c(=O)c2c3c(sc21)CCCCC3 2232862 VKELQFUNZLXINN-UHFFFAOYSA-N 389.565 3.560 0 40 GHAB CN(C(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1)[C@H]1CCc2ccccc21 58415768 MFZGCEMONZEXFT-FQEVSTJZSA-N 392.503 3.927 0 40 GHAB COCCn1ccc2cc(NS(=O)(=O)c3ccc(Cl)cc3F)ccc21 58441006 QQVIJTCOTDBCSK-UHFFFAOYSA-N 382.844 3.881 0 40 GHAB Cc1nnc2sc(-c3ccccc3NC(=O)COc3ccc(Cl)cc3)nn12 408573791 OGVYCAKXXGMJHN-UHFFFAOYSA-N 399.863 3.832 0 40 GHAB CCCn1nnnc1NCc1cc(Cl)c(OCc2cccs2)c(OC)c1 2341887 AYXBJGYEZAXWDF-UHFFFAOYSA-N 393.900 3.998 0 40 GHAB CC(C)c1cccc(NC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)c1 12784714 ANLJBGGIWWZRMQ-QGZVFWFLSA-N 380.535 3.813 0 40 GHAB C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(F)cc1Cl 3504059 AFIKUIQMYOFQQK-SNVBAGLBSA-N 377.832 3.574 0 40 GHAB COc1ccc(CN2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1OC 3648966 OWIFIXXMYGXSBE-HXUWFJFHSA-N 382.504 3.574 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)=O)cc2)cc1OCC 13017354 XPXXRNKHZRYTDC-OAHLLOKOSA-N 385.460 3.943 0 40 GHAB Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 3885408 MGSGKNKREAYFRZ-UHFFFAOYSA-N 385.411 3.689 0 40 GHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(N2C(=O)CCC2=O)c1 8378306 CMKSPBLQXISACV-UHFFFAOYSA-N 395.415 3.855 0 40 GHAB COc1cccc([C@H]2CC(=O)Nc3c2cnn3C)c1OCc1cccc(F)c1 49547908 OFONCKZWEIDLKY-MRXNPFEDSA-N 381.407 3.621 0 40 GHAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(C)cc1 5045896 BOIJMUQISXQUDJ-UHFFFAOYSA-N 396.472 3.733 0 40 GHAB CCC(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCCCO3)c2ccccc12 64987063 WQZYDGGUOSPUOI-UHFFFAOYSA-N 392.455 3.712 0 40 GHAB Cc1cc(C)c2nc(NC(=O)CSc3nnnn3-c3ccccc3)sc2c1 5177022 WBICMTQYUFBNRM-UHFFFAOYSA-N 396.501 3.620 0 40 GHAB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4ccccc4F)C3=O)ccc2c1 8489432 IIGGPNOZKBKEAW-QFIPXVFZSA-N 378.403 3.955 0 40 GHAB O=C(CSc1nnc(C2CC2)n1Cc1ccco1)c1ccc2c(c1)OCO2 21460578 MQOIJLNWZKJVJL-UHFFFAOYSA-N 383.429 3.501 0 40 GHAB CC(C)CC1=NN(C(=O)c2ccc(Br)cc2)[C@](O)(C(F)(F)F)C1 4503244 IQMYGOGPKBCAKI-CQSZACIVSA-N 393.203 3.948 0 40 GHAB CN(C)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCCO4)cc1F 65850694 XZGDHSRBMOCOAJ-UHFFFAOYSA-N 387.436 3.915 0 40 GHAB COc1cccc2cc(C(=O)Nc3ccccc3Br)/c(=N/O)oc12 4616363 IZCFNCSVUXWGKV-JZJYNLBNSA-N 389.205 3.746 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2N)c1 4648702 IUKMQIAZDMMLHO-UHFFFAOYSA-N 381.505 3.623 0 40 GHAB CCCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](CC)C3)n1C 5776312 OKAGKXBSVWFIRX-GFCCVEGCSA-N 378.567 3.677 0 40 GHAB C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 15092381 ALMNUYVLSARQMH-OAHLLOKOSA-N 375.472 3.612 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)o1 18045737 XGPKAFNEUZHDHS-OKILXGFUSA-N 376.478 3.507 0 40 GHAB COC(=O)Nc1cc(NC(=O)NCCN2c3ccccc3C[C@@H]2C)ccc1F 67321657 MASHQKBPEOTYDE-ZDUSSCGKSA-N 386.427 3.577 0 40 GHAB Cc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)c(Cl)c1 8735259 BMGNMASHYLSBNH-UHFFFAOYSA-N 386.926 3.749 0 40 GHAB CCN1CCN([C@H](C)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)CC1 22933169 RMHUTAKFHINGAQ-QGZVFWFLSA-N 378.520 3.779 0 40 GHAB COCCn1c(C)cc(C2=Nn3c(nnc3-c3ccccc3F)SC2)c1C 7779979 CKSYSBYQOGYARR-UHFFFAOYSA-N 385.468 3.507 0 40 GHAB CC(C)c1ccc(S(=O)(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc1 9115999 CSHJWKZEKIBFHM-IBGZPJMESA-N 387.480 3.751 0 40 GHAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)NCc1cccs1 9320843 FPNDZRKMMBQCEB-UHFFFAOYSA-N 381.500 3.618 0 40 GHAB COC(=O)c1ccc([C@H]2CC(=O)Nc3ncn(-c4cccc(Cl)c4)c32)cc1 96335709 KWDKEKKCSCCTBI-MRXNPFEDSA-N 381.819 3.786 0 40 GHAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccco1 9869423 KKBFBCVOAJGVCL-GFCCVEGCSA-N 386.452 3.982 0 40 GHAB CCC(CC)(CNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)C(=O)OC 89943024 ISEKMYPCRRZNKZ-UHFFFAOYSA-N 383.439 3.666 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113970618 MLSJAZSHRCGWSD-OAQYLSRUSA-N 381.520 3.851 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 20484267 RPGHOXGHSAYJHU-HNNXBMFYSA-N 394.924 3.600 0 40 GHAB Cc1cc(C)cc(OCC(=O)N2N=C3CCCCC[C@H]3[C@]2(O)C(F)(F)F)c1 408949749 FZBBYHNEKBPJCP-QAPCUYQASA-N 384.398 3.712 0 40 GHAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccco1 408628415 STEYTPJVERGPCF-UHFFFAOYSA-N 395.419 3.588 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2c(OC)ccc3ccccc23)C1=O 409011077 LXNJAMDZKALQEE-ZSAINHDTSA-N 385.441 3.836 0 40 GHAB CCN(CC)CCN1C(=O)c2ccc(-c3ncc(-c4ccccc4)o3)cc2C1=O 67321585 YTDIKJSNYFPJSV-UHFFFAOYSA-N 389.455 3.946 0 40 GHAB O=C1[C@@H]2[C@H]3CSCN3[C@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccccc1 36382104 KRCZASBHGOCUQV-BRSBDYLESA-N 384.888 3.575 0 40 GHAB CN1Cc2nnc(-c3cccs3)n2C2(CCN(Cc3ccsc3)CC2)C1 306129214 HXTHYFANOZAYEM-UHFFFAOYSA-N 385.562 3.505 0 40 GHAB Cc1ccc2cc(CNc3cccc(S(=O)(=O)NC4CC4)c3C)ccc2n1 512594773 DWFXVNLHDHEGSM-UHFFFAOYSA-N 381.501 3.904 0 40 GHAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)ccc1O[C@@H](C)CC 409214447 XVKSZFYGWLIIGF-VLURKWGBSA-N 379.478 3.945 0 40 GHAB O=C(CCc1cc(Cl)no1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 524730870 AFMZJUSEMFTZBH-RBPRZQKGSA-N 389.927 3.682 0 40 GHAB biogenic CC1(C)[C@H]2CC=C(CN3CCC[C@H]([C@@H]4C[C@H](C(F)F)n5ncnc5N4)C3)[C@@H]1C2 72341392 NDJIUGRAAGKUEC-KFGODFMUSA-N 391.510 3.973 0 40 GHAB Cc1noc(C)c1CCC(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1 36679009 SJSCKZFPNUYLGM-UHFFFAOYSA-N 391.475 3.920 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCc1ccccc1 217525380 POEMFEGFOBUKSQ-HNNXBMFYSA-N 390.505 3.506 0 40 GHAB Cc1ccc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1F 6915299 PFMPQYJSPRGVIZ-UHFFFAOYSA-N 387.411 3.550 0 40 GHAB O=S(=O)(Cc1ccccc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635506 DNVHDRXSWSXTPV-QGZVFWFLSA-N 385.407 3.609 0 40 GHAB O=C(C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccccc1Cl 39964124 KDSVNTNRYQIQLE-QGZVFWFLSA-N 380.835 3.769 0 40 GHAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccnn1Cc1cccc(Cl)c1 32855950 ALYTTZQTEWAXHD-OAHLLOKOSA-N 380.879 3.975 0 40 GHAB O=C(NC[C@]1(O)CCCc2occc21)C1c2ccccc2Oc2ccccc21 1565523846 YLFIWJAHPJZNQZ-HSZRJFAPSA-N 375.424 3.858 0 40 GHAB CC(=O)Nc1ccc(Oc2cncc(C3CCN(C4CCOCC4)CC3)n2)cc1 72362868 XXJLYUSJJOURKA-UHFFFAOYSA-N 396.491 3.586 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 33097590 WJIOKUPMQBIWLN-MRXNPFEDSA-N 378.259 3.940 0 40 GHAB COc1ccc(CCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38848917 WHISJVYBWVVLSP-IBGZPJMESA-N 386.923 3.920 0 40 GHAB O=C(O)c1conc1[C@@H](O[C@H]1CCCCO1)c1ccc(Br)cc1 504256865 OTYKYJQADOFJHL-ZFWWWQNUSA-N 382.210 3.768 0 40 GHAB CCc1ccccc1NC(=O)Cn1ccc(=O)c2ccc(Br)cc21 225738929 XOPLPKDYBPRUTA-UHFFFAOYSA-N 385.261 3.965 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 220129954 XIWZYDUQOOBBJQ-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB CCOc1ccc(CCCNS(=O)(=O)c2cc(C)c(OC)cc2C)cc1 224440520 ILHQAOVOBLUCAE-UHFFFAOYSA-N 377.506 3.622 0 40 GHAB O=C(COc1cccc2c1CCCC2)N1CCN(c2cccc(Cl)c2)CC1 223656058 MQFFIRJVQINXNK-UHFFFAOYSA-N 384.907 3.946 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 225381636 UGVIXPVQGSBCJW-ROUUACIJSA-N 382.504 3.570 0 40 GHAB CCOC(=O)N1CCC(NC(=O)/C=C/c2ccc(SC(F)F)cc2)CC1 40145009 IHVLVYLTMVPILF-VMPITWQZSA-N 384.448 3.752 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCC(C)(C)C)cc2)cc1 226053162 GXCQYDITQSCKFR-UHFFFAOYSA-N 388.533 3.891 0 40 GHAB O=S(=O)(c1ccccc1)N1CC[C@@]2(CCCN2Cc2cccc(Cl)c2)C1 96203087 QLQIXQDMAHSEJY-FQEVSTJZSA-N 390.936 3.769 0 40 GHAB Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(Cc2cccc(Cl)c2)C1 96244518 QDKABLXMNNEUCL-JOCHJYFZSA-N 398.938 3.934 0 40 GHAB COc1ccc2cc(C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)n(C)c2c1 583652567 UKGGDGLOPWIIKV-QGZVFWFLSA-N 380.444 3.621 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1cccc(F)c1 242806458 FGXJRKZUJIBHNK-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB Cc1cc(C)nc(N2CCO[C@H](c3cccc(Nc4nc(C)cs4)n3)C2)n1 257243536 IHLAPGBWAUAIID-INIZCTEOSA-N 382.493 3.575 0 40 GHAB CC(C)(Cc1c[nH]c2ccccc12)NC[C@@H](O)COc1cccc2cc[nH]c12 299888250 BMFRSTMTAZXLSY-GOSISDBHSA-N 377.488 4.000 0 40 GHAB Cc1cccc(C(=O)N2CC[C@@]3(C2)c2cccn2-c2ncccc2N3CC2CC2)n1 585106813 INVZJIVZCZTDQD-XMMPIXPASA-N 399.498 3.547 0 40 GHAB Cc1noc(C)c1CN1C(=O)CC[C@]12CCCN(CC1CC(F)(F)C1)CC2 585099854 KCMDXLHUJOECPU-IBGZPJMESA-N 381.467 3.684 0 40 GHAB CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NOCC)c1=S 55452011 LONFULZDSKPSLK-UHFFFAOYSA-N 382.917 3.992 0 40 GHAB CCN(C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 65586232 RTFGSGCGLOWWRR-UHFFFAOYSA-N 377.391 3.782 0 40 GHAB COc1ccccc1NC(=O)CSCC(=O)Nc1cccc(Cl)c1C 5556021 KQKMIYPCFNHJIG-UHFFFAOYSA-N 378.881 3.967 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)Cc3coc4cc5c(cc34)CCC5)cc2NC1=O 12903759 JICWTRGKWYJIJR-GFCCVEGCSA-N 376.412 3.822 0 40 GHAB COc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)c(OC)cc1Cl 14291511 VFWMXFDFTOJGQR-UHFFFAOYSA-N 376.261 3.953 0 40 GHAB Cc1ccc(N2N=C(C(=O)N[C@@H]3CCOc4ccccc43)CCC2=O)cc1Cl 14780367 HWADDUYNPASECE-QGZVFWFLSA-N 397.862 3.771 0 40 GHAB Cc1cc(-c2cnc(N3CCN4CCCC[C@@H]4C3)nc2-c2ccc(C)o2)on1 19216677 BQJITNRATHQCBM-MRXNPFEDSA-N 379.464 3.683 0 40 GHAB CCOCc1ccc(C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)cc1 19531251 WMLQPNQTGSQBOB-FQEVSTJZSA-N 376.460 3.986 0 40 GHAB CN(C)c1ncccc1CN1CCO[C@H](c2ccc(Cc3ccccc3)cn2)C1 19692309 GIBLFMSTAWGHOH-QHCPKHFHSA-N 388.515 3.707 0 40 GHAB CC[C@@H]1COc2ccccc2OCCOCCOc2ccccc2OCCO1 5468240 RAHHCDCGDZBPRS-GOSISDBHSA-N 388.460 3.727 0 40 GHAB O=C(O)[C@H]1CS[C@@H](c2ccc(OCc3ccc(Br)cc3)cc2)N1 6221521 JAWYWKORNJPRCR-CVEARBPZSA-N 394.290 3.816 0 40 GHAB CCOc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OCc1ccc(F)cc1 807763 XAVZZPVOFMSZEX-MAUKXSAKSA-N 377.437 3.592 0 40 GHAB O=C(NCc1cccc(CN2CCCCCC2)c1)c1ccc(-n2cnnc2)cc1 19655992 CZTFINLLNMONIK-UHFFFAOYSA-N 389.503 3.573 0 40 GHAB Nc1nnc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)s1 9050394 QGDZYRYELLSRFI-UHFFFAOYSA-N 384.530 3.551 0 40 GHAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(NCCOC)s2)cc1 6428144 ASGQXHFIIAXWGF-LBPRGKRZSA-N 380.539 3.841 0 40 GHAB Cn1cc(C(=O)N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)c(C(F)F)n1 1889213042 DBXYEYSUSJKLSS-UHFFFAOYSA-N 387.434 3.702 0 40 GHAB O=C(CCc1ccccc1F)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909268 KHLVQJDXGNLMJI-QFIPXVFZSA-N 389.442 3.720 0 40 GHAB CSCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 2796935 WZISHJCKJPDOSZ-CQSZACIVSA-N 388.411 3.582 0 40 GHAB COc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(Cl)c2)cc1 2711819 MDEACJAVQPEZOZ-UHFFFAOYSA-N 396.921 3.642 0 40 GHAB CCOc1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1OCC 4061153 IULHUEMRSHDWIU-UHFFFAOYSA-N 385.489 3.624 0 40 GHAB COc1cccc(C(=O)N(CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 4137950 CWEYSYITJNMFRI-UHFFFAOYSA-N 392.377 3.941 0 40 GHAB COc1ccc(C(=O)CSc2nnc3ccc(-c4cccs4)nn23)cc1 4376891 TZRRAEAZISVUKD-UHFFFAOYSA-N 382.470 3.836 0 40 GHAB COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)c1 4330155 MYXPATJPZPPGLC-UHFFFAOYSA-N 379.416 3.885 0 40 GHAB COc1cccc(C(=O)NCCSc2ncc(-c3ccccc3)[nH]2)c1OC 4315527 HOGKNAIMKAAIKB-UHFFFAOYSA-N 383.473 3.616 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1 5441889 YTWCPWTVRHLITE-UHFFFAOYSA-N 382.460 3.792 0 40 GHAB O=C(COc1ccccc1F)NC[C@H](c1ccsc1)N1CCCCCC1 8863198 WGCDDPYEXBDOPN-GOSISDBHSA-N 376.497 4.000 0 40 GHAB O=C(Cc1csc(SCc2cccc(Cl)c2)n1)NC[C@@H]1CCCO1 8938203 SBQVLBYBDDVBED-HNNXBMFYSA-N 382.938 3.927 0 40 GHAB Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)Nc3ccccc3)CC2)n1 12224249 OVNKRFJPGBAYQB-UHFFFAOYSA-N 389.459 3.931 0 40 GHAB CCc1cccc(CC)c1NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100628965 VUQZOWHNVAUKOW-YJBOKZPZSA-N 381.545 3.789 0 40 GHAB COc1ccc2cc(C(=O)NC[C@@H]3CCCN3c3nc4ccccc4o3)[nH]c2c1 206775773 CINXCKCAWCHWTQ-HNNXBMFYSA-N 390.443 3.717 0 40 GHAB COc1ccc([C@H]2CCCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 206887290 JSBPOTDGSXJMTF-SFHVURJKSA-N 382.460 3.903 0 40 GHAB CO[C@@H](CNC(=O)c1cncc(Br)c1)c1cc2ccccc2o1 575415643 MHMJLAPLIMROMK-INIZCTEOSA-N 375.222 3.708 0 40 GHAB Cn1cc(-c2ncccc2CNC(=O)c2cccc(OCc3ccccc3)c2)cn1 575618712 NVDKKEUBRGGNRR-UHFFFAOYSA-N 398.466 3.991 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc(-c2ccncc2)nc2ccccc12 29350094 LZZALOIKHBQBDI-GJZGRUSLSA-N 377.444 3.757 0 40 GHAB CC(C)COc1ccc(NC(=O)c2cccnc2N2CCOCC2)cc1Cl 30512291 HBDFJKZPGQZSCU-UHFFFAOYSA-N 389.883 3.859 0 40 GHAB COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)[nH]n2)c1 20285774 URRHWJBZSOZSBQ-UHFFFAOYSA-N 390.487 3.665 0 40 GHAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(C)C)c2)c1=O 40478617 HQGFPVUKZRCOSD-UHFFFAOYSA-N 393.487 3.581 0 40 GHAB CCn1cc2c(C(F)F)cc(=O)n(CCC(=O)Nc3cc(C)cc(C)c3)c2n1 36621328 BBRXTEOYDRZVDV-UHFFFAOYSA-N 388.418 3.801 0 40 GHAB Cc1ccc(F)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 979149 XEYNCCWXSWHSKB-QGZVFWFLSA-N 396.871 3.579 0 40 GHAB Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)[C@@H]2CCCO2)cc1 1359220 VXISTCKVPSJJKS-QFIPXVFZSA-N 390.483 3.853 0 40 GHAB CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(N)=O)C1 2503070 PGUVBNVKYICMFT-LLVKDONJSA-N 386.473 3.733 0 40 GHAB O=C(O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 7885042 GUDPDYAEGZROAD-HXUWFJFHSA-N 388.379 3.885 0 40 GHAB Cn1c(C(=O)O[C@H](C(=O)NC2CCCCC2)c2ccccn2)cc2sccc21 4924061 GIEJIAIRYKSRHU-IBGZPJMESA-N 397.500 3.982 0 40 GHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)C12CCCCC2 20721566 FORKVTCOBSQNFS-HXUWFJFHSA-N 393.487 3.609 0 40 GHAB COc1ccc(Cc2n[nH]c(SCC(=O)Nc3ccc(F)cc3C)n2)cc1 32579582 VTVOMMWKKZXZCH-UHFFFAOYSA-N 386.452 3.582 0 40 GHAB C[C@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccc(-n2cncn2)cc1 32738431 BVJSJJHKDHXQFN-INIZCTEOSA-N 398.470 3.821 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCCC2 32738647 FAFWBRILBBKTLY-HNNXBMFYSA-N 387.501 3.766 0 40 GHAB COc1ccc(CN(C)C(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1F 32719751 WBSIWOZPTLDMEU-UHFFFAOYSA-N 381.451 3.968 0 40 GHAB CCN1C[C@@H](CN(C)C(=O)NCc2nc3ccccc3s2)Oc2ccccc21 32863408 SNFUNCXRJATDDA-OAHLLOKOSA-N 396.516 3.725 0 40 GHAB CCc1ccc2nc(NC(=O)CCc3nc(=O)c4ccccc4n3C)sc2c1 2615938 MLYJFLXENADWHE-UHFFFAOYSA-N 392.484 3.677 0 40 GHAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NC[C@H]1CCCO1 2617956 CAFXKAAYWHWILM-CQSZACIVSA-N 385.514 3.746 0 40 GHAB Cc1ccc(C(=O)N[C@H](C(=O)OCc2cn3cc(Cl)ccc3n2)C(C)C)cc1 7942511 TZCYBXMZRMLOGC-IBGZPJMESA-N 399.878 3.794 0 40 GHAB COc1cc([C@@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)cc(OC)c1O 102736340 LYUAVFZIKFFJFS-HNNXBMFYSA-N 386.408 3.664 0 40 GHAB COC(=O)c1cc(Nc2ncnc3sc4c(c23)CCCC4)cc(C(=O)OC)c1 943189 NEXPDFXOGPRMSA-UHFFFAOYSA-N 397.456 3.887 0 40 GHAB COc1ccc2ccccc2c1CNCc1ccccc1CN1CCOCC1 23864568 DCBUENSEFAUKIY-UHFFFAOYSA-N 376.500 3.970 0 40 GHAB CCn1cc(C(=O)NCCCSc2ccc(F)cc2)c(=O)c2ccc(C)nc21 8037927 HJJMAAICOGWQOE-UHFFFAOYSA-N 399.491 3.776 0 40 GHAB CC(C)CCC[C@@H](C)NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O 61720081 CGIVLCHVMUMJMU-OAHLLOKOSA-N 375.900 3.895 0 40 GHAB COC(=O)c1ccc(NC(=O)CCSc2nnc(-c3ccc(C)cc3)o2)cc1 54363718 FCQJCVCQECQZAL-UHFFFAOYSA-N 397.456 3.953 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c2c1[C@@H](C)CC2=O 25822874 JXOUYBCQMLQCND-INIZCTEOSA-N 394.471 3.539 0 40 GHAB CCc1cccc(C)c1NC(=O)COc1cc(C)nc(N2CCC(C)CC2)n1 44169131 BKRARYRFPNOONX-UHFFFAOYSA-N 382.508 3.910 0 40 GHAB CC(=O)c1cccc(OC[C@@H](O)COc2ccc(NC(=O)c3ccco3)cc2)c1 27213484 DJIVPCVXWBQGQF-SFHVURJKSA-N 395.411 3.553 0 40 GHAB C[C@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(Cl)cc1Cl 3266113 FCDKZXXJQNZOPX-MGPLVRAMSA-N 396.226 3.704 0 40 GHAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NC[C@H]3CCCO3)cc12 8132930 MQWNVYNJKNJYLV-CQSZACIVSA-N 375.881 3.958 0 40 GHAB COC(=O)c1ccc(CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 3385459 CAGDVQMQRSQKHK-HSZRJFAPSA-N 394.471 3.738 0 40 GHAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccccc1Br 12779572 JYIBZGCFZDBSDI-UHFFFAOYSA-N 384.237 3.690 0 40 GHAB CCCn1nc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)ccc1=O 48280174 WWAUYDYAVWGQAU-SFHVURJKSA-N 385.514 3.564 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)NC1CCN(C(=O)Nc2ccccc2)CC1 12802911 OVRBAXPYLQELEA-UHFFFAOYSA-N 376.460 3.523 0 40 GHAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 3493401 UVWFCWABUOZPMB-UHFFFAOYSA-N 396.806 3.892 0 40 GHAB C[C@H](NC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c[nH]1)c1ccccc1 12967959 RSKWWTJDSFGNOO-HOTGVXAUSA-N 397.500 3.545 0 40 GHAB CCCCc1ccc2nc(NC(=O)c3ccc(-n4cncn4)nc3)sc2c1 12987648 RTKLAPKIAVLBDU-UHFFFAOYSA-N 378.461 3.867 0 40 GHAB Cc1ccc(-c2csc3ncn(CCC(=O)Nc4cnoc4C)c(=O)c23)cc1 89641156 RPCIZZPJQVYHSY-UHFFFAOYSA-N 394.456 3.759 0 40 GHAB Cn1nc(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c2ccccc2c1=O 8326528 LHRKZPAILMNIJK-GOSISDBHSA-N 393.443 3.654 0 40 GHAB C[C@@H](NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1cccc(C(F)(F)F)c1 49795446 BYJBLUPIJVELRL-VXGBXAGGSA-N 397.363 3.950 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)Cc3noc4ccccc34)c2C)no1 18965708 MGBFYPBVXFXGGF-UHFFFAOYSA-N 393.399 3.500 0 40 GHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1ccc2c(c1)OCCCO2 6436869 RRLNKWUTEHDWKE-UHFFFAOYSA-N 398.484 3.704 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)c1C 6404222 BLCTXZSHHYPTQU-UHFFFAOYSA-N 386.517 3.957 0 40 GHAB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)cc1 4554212 ZOLABWIWTSULHV-UHFFFAOYSA-N 387.407 3.759 0 40 GHAB CCOc1cc(C=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 4603082 UACDOUHQNBMISF-UHFFFAOYSA-N 399.262 3.736 0 40 GHAB COc1ccccc1NC(=O)c1ccccc1NC(=O)COc1ccccc1 14792155 AZUINVLXKAJPFC-UHFFFAOYSA-N 376.412 3.965 0 40 GHAB Cc1ccc(N2C(=O)N(Cc3nc(-c4ccccc4C)no3)C(=O)[C@H]2C)cc1 6851761 BAEGKPMZXABZHT-OAHLLOKOSA-N 376.416 3.711 0 40 GHAB CCC[C@@H](C)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 6907334 OYJRUXODQSDJPV-CYBMUJFWSA-N 387.530 3.844 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(Br)ccc1Cl 5938337 HDCSJFPJHHPBDK-UHFFFAOYSA-N 399.647 3.952 0 40 GHAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 7051209 MBWLVOGXKDDXBZ-CYBMUJFWSA-N 376.478 3.968 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)c(F)c1 7306756 OMSBCJYYPBOBSU-VIFPVBQESA-N 376.222 3.767 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 170569327 IDVTWHUEZDSSLH-UHFFFAOYSA-N 376.416 3.876 0 40 GHAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccnc2)cc1 9019748 VATOQKPLYKLQGJ-UHFFFAOYSA-N 385.423 3.779 0 40 GHAB Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3ccccc3F)s2)CC1=O 9199478 HDPXDBPZIOULOP-ZDUSSCGKSA-N 396.447 3.758 0 40 GHAB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3COCCO3)c2C1 84169381 QYJPWVXNLMGQGO-JKSUJKDBSA-N 382.504 3.531 0 40 GHAB CCN(CC)[C@H]1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C1 72303401 OGFDPOQZBUZNLE-HNNXBMFYSA-N 375.900 3.870 0 40 GHAB CN(Cc1nccn1CC(F)(F)F)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 72304088 FQESARYJHTXQRL-VQIMIIECSA-N 377.410 3.698 0 40 GHAB Cc1nnsc1-c1nnc2sc(-c3ccc(F)c(Br)c3)nn12 72402906 HLIXUCRHNNEASX-UHFFFAOYSA-N 397.258 3.581 0 40 GHAB COc1ccc(C(=O)COC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F 98096602 DWEVULAHWPCNCR-UHFFFAOYSA-N 384.363 3.596 0 40 GHAB in-vitro C[C@H](CNC(=O)[C@@H](C)Oc1ccc(F)cc1Br)c1ccncc1 79018585 MDUYDQRFCXSXDA-VXGBXAGGSA-N 381.245 3.670 0 40 GHAB CC[C@H](C)OCc1c(I)cnn1CCC(F)(F)F 408715360 AZXBVWDWPJKGPD-QMMMGPOBSA-N 376.160 3.755 0 40 GHAB CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(F)c(F)c3)n2)cn1 35426236 VSPXIAXGTQKMGX-KRWDZBQOSA-N 385.418 3.813 0 40 GHAB biogenic,in-vitro Cc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccccc3C)o2)cc1 408564630 ZZGRIKYDAFXDQZ-UHFFFAOYSA-N 378.428 3.844 0 40 GHAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(C/C=C/c4ccccc4)CC3)c2c1 32073880 TVPPQQBMTHCFRE-GPVJQRHHSA-N 389.499 3.933 0 40 GHAB Cc1cc(C)c(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)c(C)c1 71769021 LQNRQWPIMDCTIP-UHFFFAOYSA-N 381.451 3.757 0 40 GHAB Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CCCN2C(=O)c2cn(C)nc2C)n1 72372578 ZVDLPKDZZKPSSS-SFHVURJKSA-N 396.520 3.918 0 40 GHAB O=C(c1c[nH]c(=O)c(Cl)c1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219328468 VQCDWQUIRIJFHF-OAHLLOKOSA-N 384.835 3.627 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(S(C)(=O)=O)cc1 219311120 ZMESPNFPCUSXMV-APWZRJJASA-N 389.517 3.742 0 40 GHAB CS(=O)(=O)N(CCCC(=O)NCC1=CCCCC1)c1cccc(Cl)c1 224629905 WONKWCAXFCLWNT-UHFFFAOYSA-N 384.929 3.503 0 40 GHAB S=C(NCCCc1ccccc1)Nc1ccc(Sc2ncccn2)nc1 223964431 UNLDMPVOLDOVQT-UHFFFAOYSA-N 381.530 3.942 0 40 GHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1OCC 225599648 XLEAQHCCASZXAA-AWEZNQCLSA-N 381.469 3.971 0 40 GHAB O=C(CCCNC(=O)C1CC1)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 48363015 SGYKEOVRQSSUGM-UHFFFAOYSA-N 380.423 3.614 0 40 GHAB O=C(Nc1cccnc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 44904598 KZZBSROQBDLUKT-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB CCOc1ccc(-c2nnc3sc(NC(=O)c4cccc(F)c4)nn23)cc1 41108798 OQZZVESZEQOEHJ-UHFFFAOYSA-N 383.408 3.643 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 225379724 QEJWREZIHUVIHT-AWEZNQCLSA-N 376.909 3.595 0 40 GHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)cc1 225423050 SHEXIMWSXDTTJS-GFCCVEGCSA-N 381.881 3.729 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 223832262 CCDYAIXVGKFCBI-CQSZACIVSA-N 376.859 3.575 0 40 GHAB COCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078855 ACWGTXHAGVYWEU-UHFFFAOYSA-N 386.879 3.699 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 224767671 PKTWZGJDTHQHIP-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 222887875 WRTXOIKZYOUVLF-VQTJNVASSA-N 378.501 3.960 0 40 GHAB O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)Nc1cccs1 77100915 CLKBDIDPVJCIJL-UHFFFAOYSA-N 394.504 3.504 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCCCn2cccn2)C1 583652250 LIAFLPXVYOLYIV-WOJBJXKFSA-N 384.524 3.656 0 40 GHAB COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(C(F)(F)F)cc3)n2)cc1OC 95533863 NJMGYXBORSVPRE-OAHLLOKOSA-N 378.354 3.556 0 40 GHAB CCc1ccc(NC(=O)N2CC[C@]3(C[C@H]3C(=O)N(C)Cc3ccccn3)C2)cc1 96227438 UVHGRKMMEUVADR-REWPJTCUSA-N 392.503 3.547 0 40 GHAB CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2ncc3c(F)cccn23)cc1 527993705 IUMOLIRFMPLURS-AWEZNQCLSA-N 397.454 3.838 0 40 GHAB CC(C)(C)c1ccc(O)c(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c1 257338657 YYJJAUJFHLDQFD-HMXCVIKNSA-N 383.488 3.781 0 40 GHAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 650924917 CPVXZTDJEMWBRN-VUVCYMEASA-N 396.535 3.672 0 40 GHAB O=C(NCCOc1ccccc1-c1ccccc1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 663830390 LYFYNUXREUQBRQ-DSKINZAPSA-N 380.488 3.535 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Oc3ccccc3)c(O)c2)cc1 957862 ZVAKZMWUJQALGZ-UHFFFAOYSA-N 383.425 3.721 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)c(O)n1 1615119481 INOJORRHTBNUAP-JOCHJYFZSA-N 383.467 3.898 0 40 GHAB CC(=O)c1sc2nc(SCC(=O)Nc3ccc(C)cc3)nc(O)c2c1C 1615589146 IVPVJULTSMPLMK-UHFFFAOYSA-N 387.486 3.947 0 40 GHAB COc1cc(CNc2ncc(-c3cc(C)no3)c([C@H]3CCCO3)n2)cc(OC)c1 19122699 JWWXXTPMUJXQHX-GOSISDBHSA-N 396.447 3.921 0 40 GHAB Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCCN2CC(=O)N(C)C2CCCCC2)n1 19690947 HTLFWWVTBSQMMD-QFIPXVFZSA-N 395.551 3.719 0 40 GHAB COc1ccccc1CCCn1cncc1-c1cc2c(cc1C)n(C)c(=O)n2C 19719955 FDPJQXJEGLZSIF-UHFFFAOYSA-N 390.487 3.690 0 40 GHAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)cc(OC)c2O)C1=O 5175884 RYTYLTZFLKPWFA-OPYOOOJUSA-N 386.267 3.998 0 40 GHAB Cn1nc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c2ccccc2c1=O 3295821 OZCNRLHOLAOHNP-UHFFFAOYSA-N 385.423 3.765 0 40 GHAB CCn1c(SCC(=O)NCC(=O)Nc2cccc(C)c2C)nc2ccccc21 4484567 YUNBLBFQHDIABN-UHFFFAOYSA-N 396.516 3.520 0 40 GHAB C[C@@H](NC(=O)c1ccc(Cl)c(I)c1)c1ccncc1 32479627 VXBQXDFTOBPIBL-SECBINFHSA-N 386.620 3.831 0 40 GHAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)C(C)(C)C)cc(Cl)c1O 716219 NQCWSTXSEFWPAN-MEBBXXQBSA-N 396.871 3.660 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)NC(C)(C)C)s2)c(C)c1 4851464 QLOASNBQADHHNK-UHFFFAOYSA-N 393.538 3.806 0 40 GHAB COCCNC(=O)CSc1nc(-c2ccccc2)[nH]c1-c1ccc(F)cc1 4927790 OKBPJILTNOBLSA-UHFFFAOYSA-N 385.464 3.738 0 40 GHAB CSc1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)sc2c1 5299185 KHFVUAPBBCGDCM-UHFFFAOYSA-N 396.490 3.570 0 40 GHAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCCCC1)c1cccc(F)c1 8901377 XSPVVHLBKZVYOT-GOSISDBHSA-N 382.526 3.783 0 40 GHAB CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc1 1775973965 STENBUCFFKXBAF-ROUUACIJSA-N 395.507 3.542 0 40 GHAB Cc1c(Cl)cccc1NS(=O)(=O)c1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2 101079153 IHKFYSRVRDXGBR-LLVKDONJSA-N 390.892 3.846 0 40 GHAB O=C(c1csc(Nc2cccc(Cl)c2)n1)N1CCN(c2ccccn2)CC1 36704642 HBESROBVGPJTBQ-UHFFFAOYSA-N 399.907 3.898 0 40 GHAB Cc1c(-c2noc(-c3ccc(N(C)C)cc3)n2)nnn1Cc1cccc(F)c1 49410252 CAFVLBJGGWLDDB-UHFFFAOYSA-N 378.411 3.557 0 40 GHAB O=C(c1ccccc1)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 6927257 HXBUTHZDPIEXQP-RZFNWQHOSA-N 379.456 3.924 0 40 GHAB biogenic CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccnnc2)n2c(nc3ccccc32)N1 20568961 VYXXAGGLPQYRHD-FQEVSTJZSA-N 382.427 3.754 0 40 GHAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OC 17154983 CTCMUGCJGBYMDK-YBEGLDIGSA-N 386.860 3.518 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 789577 YWAFPUFJGDOHIW-UHFFFAOYSA-N 396.871 3.519 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)c1cccc(-n2cnnn2)c1 15962564 CBKSIFFGVHPQPW-UHFFFAOYSA-N 383.455 3.614 0 40 GHAB CCCCOc1ccccc1[C@H]1CC(O)=Nc2c1c(C)nn2-c1ccc(O)nn1 31818191 IRYMQEDGXANAKX-OAHLLOKOSA-N 393.447 3.979 0 40 GHAB O=C1Cc2ccccc2N[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 1612034 SEEMHXPJVDRSJN-VXKWHMMOSA-N 377.465 3.808 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(Br)s1)C(=O)O 4241244 DSXHLHPKFMNVDK-OAHLLOKOSA-N 390.299 3.907 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101576773 NREVVAOCAYKIAH-DFEHZGFQSA-N 381.863 3.513 0 40 GHAB CN(C)S(=O)(=O)c1csc(C(=O)Nc2cc(Cl)ccc2Cl)c1 6680254 JJVAFCRCBITMFV-UHFFFAOYSA-N 379.290 3.558 0 40 GHAB CC(C)CCn1c(SCC(=O)N2CCCC2)nc2cc(Cl)ccc2c1=O 7238129 GUDPGZZSCPLGFP-UHFFFAOYSA-N 393.940 3.811 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 7504588 QHRTVEAWGYDSAX-UHFFFAOYSA-N 379.504 3.648 0 40 GHAB O=C1c2cc(Br)cc(Br)c2OC[C@@H]1N1CCCCC1 55135118 ZOPSGOVLLQPOID-LBPRGKRZSA-N 389.087 3.641 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O)N1CCCCC1 106756449 LWRUYFLZDKUSPY-AQTBWJFISA-N 396.468 3.995 0 40 GHAB CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccccc1Cl 8413843 NUWKMPHATDERFM-UHFFFAOYSA-N 388.851 3.803 0 40 GHAB Cc1cc2nnc(S[C@@H](C(=O)N[C@@H](C)c3ccccc3)C(C)C)n2c(C)n1 33030492 DKFAKUDBCRDHGV-KBXCAEBGSA-N 383.521 3.735 0 40 GHAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(C)o1 684328 SGBHBLZTVNNBRX-SFHVURJKSA-N 382.445 3.996 0 40 GHAB CCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1 660147 AHZIBLVTTMXRLF-UHFFFAOYSA-N 394.471 3.663 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N1CCc2[nH]c3c(Br)cccc3c2C1 12297022 YIFAYHWMBAUGTJ-UHFFFAOYSA-N 399.244 3.858 0 40 GHAB biogenic Cc1ccc(F)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c1 22690766 HAJHTTNHTXUQAH-CQSZACIVSA-N 396.509 3.543 0 40 GHAB C[C@H](NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 22877163 XSJIWDABDFHBHM-MEQKGCOVSA-N 397.950 3.848 0 40 GHAB C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)c1nc2ccccc2[nH]1 68589169 REKAKLHKQUILRU-OAHLLOKOSA-N 383.471 3.536 0 40 GHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cc2c(F)cccc2s1 23762045 ORFHAGFCSAKBBU-UHFFFAOYSA-N 376.497 3.805 0 40 GHAB C[C@@H](NC(=O)c1cn(C)c2ccccc2c1=O)c1cccc(Br)c1 22234312 HUICAUQTRWGWQW-GFCCVEGCSA-N 385.261 3.792 0 40 GHAB Cc1cccc(/C=C/C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1 24496737 MQFXBPULPSQOAM-MDZDMXLPSA-N 377.513 3.962 0 40 GHAB COc1cc(C(=O)NCc2ccc(-n3cccn3)nc2)ccc1OCCC(C)C 12522110 QCKYAPFMORGLQQ-UHFFFAOYSA-N 394.475 3.631 0 40 GHAB Cc1cccc(N2CCN(C(=O)Nc3ccc4c(c3)OCCCO4)CC2)c1C 43492930 NNTJUXFTZYMMAS-UHFFFAOYSA-N 381.476 3.819 0 40 GHAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 12555751 NNDRMJZBXFGMMX-HNNXBMFYSA-N 392.459 3.575 0 40 GHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2ccccc2F)CC1 35088679 PHJKWLGEYWBQCC-FAKFISEUSA-N 392.559 3.786 0 40 GHAB COc1ccc([C@H](CNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)N2CCCCC2)cc1 110516177 MNUGDEHINUOVDO-GIUOSPMZSA-N 387.593 3.875 0 40 GHAB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)[C@@]1(C)CC1(Cl)Cl 58364821 XVDCISZTMUGJJE-QGZVFWFLSA-N 396.274 3.679 0 40 GHAB O=C1[C@H](Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)CCN1c1ccccc1 68769904 BMEPZPIJVBKYDY-OAHLLOKOSA-N 399.376 3.775 0 40 GHAB Cn1nc(-c2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccccc2c1=O 2367843 RDVMJJTXNVEWBF-UHFFFAOYSA-N 385.423 3.618 0 40 GHAB CCOc1ncccc1C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 3393508 AWNIRUCXJHUJPT-UHFFFAOYSA-N 391.427 3.994 0 40 GHAB CCOc1ccc2nc(N(Cc3ccccc3)C(=O)CCNC(C)=O)sc2c1 12818761 KIWBWXGCAYYMEZ-UHFFFAOYSA-N 397.500 3.754 0 40 GHAB COc1ccc(CCNC(=O)CSc2ccc(F)c(Cl)c2)cc1OC 8403733 FUDLQVFIBIFVRF-UHFFFAOYSA-N 383.872 3.947 0 40 GHAB Cc1nnc(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)n1-c1ccccc1 3867522 ZJOZMSVDGGYTBH-UHFFFAOYSA-N 383.864 3.758 0 40 GHAB CCOC(=O)c1ccccc1NC(=S)N1CCN(C2CCCCC2)CC1 3906991 NRCVCJJUGAJKPQ-UHFFFAOYSA-N 375.538 3.510 0 40 GHAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(COc2ccccc2)o1 8340134 VZDZBHCNLQVKPU-UHFFFAOYSA-N 378.428 3.948 0 40 GHAB COc1ccc(Cc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1OC 13687806 DJSOOLPUFQMWJO-UHFFFAOYSA-N 391.456 3.942 0 40 GHAB COCCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(F)cc1 39845762 SNYQTINPTRIRKI-UHFFFAOYSA-N 394.399 3.511 0 40 GHAB CCCCNS(=O)(=O)c1ccc2[nH]c(COc3ccccc3CC)nc2c1 6277176 UPCNLNCASVCDKF-UHFFFAOYSA-N 387.505 3.783 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)Nc1cccc(N2CCCC2)c1 69515238 YZBJFCUHQWFALF-UHFFFAOYSA-N 375.476 3.853 0 40 GHAB Cc1cc(C)n2nc(S[C@@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)nc2n1 4483848 KZWBIIAXPUSZSL-NSHDSACASA-N 386.506 3.509 0 40 GHAB CC(C)(C)c1ccc(C(=O)Oc2ccc([C@@H]3N[C@@H](C(=O)O)CS3)cc2)cc1 4572008 WHVNNPAYVMRTLJ-QZTJIDSGSA-N 385.485 3.992 0 40 GHAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc2ccc(Cl)cc2s1 5512835 WBPNLCANUKCVGF-UHFFFAOYSA-N 399.859 3.965 0 40 GHAB CCCc1nc2sc3c(NCCCO)ncnc3c2c2c1COC(C)(C)C2 4785894 JYPWSUFKKWOPHD-UHFFFAOYSA-N 386.521 3.838 0 40 GHAB COc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1 4731929 SQWIJYMTULVBIU-CYBMUJFWSA-N 381.457 3.605 0 40 GHAB O=S(=O)(c1ccccc1)N(Cc1ccco1)Cc1nc(-c2ccccc2)no1 6760077 MYQALAHCFJFXAD-UHFFFAOYSA-N 395.440 3.721 0 40 GHAB CCCCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)s1 6880445 JGABFUUEFIXPMP-NSHDSACASA-N 378.885 3.526 0 40 GHAB CCc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2)cc1 6811925 KXUPZCOUFRXALC-RBUKOAKNSA-N 393.516 3.801 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)o2)cc1C 5804878 GMZCVBDYULTPPY-UHFFFAOYSA-N 395.440 3.659 0 40 GHAB C[C@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1cccc2ccccc12 4999529 JPCMUFXSVHYROD-ZDUSSCGKSA-N 379.485 3.921 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)/C=C/c1cccs1 6946766 YVCNFZUNWXBWLH-ZHACJKMWSA-N 381.457 3.746 0 40 GHAB Cc1ccc(OCC(=O)OCC(=O)Nc2cccc(Br)c2)cc1C 6930443 MFKPWESLQFKXHG-UHFFFAOYSA-N 392.249 3.627 0 40 GHAB Cc1cc2nc(SCC(=O)N3CCCc4ccccc43)n(C(C)C)c(=O)c2[nH]1 67235866 FCPKDALJEUZQQU-UHFFFAOYSA-N 396.516 3.685 0 40 GHAB CCn1nc(C(=O)Nc2ccc(SC(F)F)cc2)c2ccccc2c1=O 7061272 QMXDNIHHMJQOSB-UHFFFAOYSA-N 375.400 3.983 0 40 GHAB COc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccccc2)cc1 15412221 JCFFWJOBWCDIHH-QFIPXVFZSA-N 390.414 3.955 0 40 GHAB COc1ccc(/C=C2/N=C(c3cccc(OC(F)F)c3)OC2=O)cc1OC 96634919 CLVNMNJZHMYULF-RIYZIHGNSA-N 375.327 3.650 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C[C@H](C)c1ccncc1 84077264 LSIVGCOMAJMBDU-LBPRGKRZSA-N 376.840 3.728 0 40 GHAB Cn1ccnc1Sc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 84331718 HMODCCIYTZCSFS-UHFFFAOYSA-N 377.425 3.930 0 40 GHAB Cc1c(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)oc2c(Cl)cccc12 79097650 BJLNFMFTYZMAIQ-UHFFFAOYSA-N 389.860 3.654 0 40 GHAB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)c1 24895431 BUATXRAEZRUXMY-UHFFFAOYSA-N 380.448 3.817 0 40 GHAB COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(C)=O)cc1 35289551 PUMMKKZXABECEA-SFHVURJKSA-N 381.432 3.533 0 40 GHAB O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCC[C@H]1c1nnc2ccccn12 524735600 MMXHULVSPGTVEG-ROUUACIJSA-N 391.500 3.936 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 36811726 IAVOTNADBNDILQ-INIZCTEOSA-N 386.879 3.687 0 40 GHAB COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)c1 219300172 PRPXEPGOKQFOFC-OAHLLOKOSA-N 395.459 3.952 0 40 GHAB Cc1cccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3)CC2)c1 56945380 XJADCUWKMYRISZ-JOCHJYFZSA-N 389.499 3.881 0 40 GHAB CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 72378559 PEWXGLYPBSNAIA-HXUWFJFHSA-N 389.503 3.911 0 40 GHAB Fc1ccc(-c2cccc(CN3CCn4c(nnc4[C@@H]4CCCNC4)C3)c2)cc1 72372157 CZMRAWBQHWDQRK-HXUWFJFHSA-N 391.494 3.567 0 40 GHAB O=C(CN1CCC(c2cccc(Cc3ccccc3F)n2)CC1)N1CCCC1 72348780 BBHDVLIHHYWNIF-UHFFFAOYSA-N 381.495 3.613 0 40 GHAB COc1ccc(CN(C)C(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 30860570 OZFHOLDDEWPLHX-AWEZNQCLSA-N 375.490 3.852 0 40 GHAB O=C(Nc1nc2c(s1)CN(C(=O)/C=C/c1cccs1)CC2)c1ccco1 70638481 QDANKADEUUPGEX-AATRIKPKSA-N 385.470 3.648 0 40 GHAB COc1cccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 224615450 OHJLMICIYSASDP-UHFFFAOYSA-N 376.261 3.836 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)Nc2nn3c(-c4cccc(C)c4)nnc3s2)cc1 41076451 BYINRAWTYVJMTR-CQSZACIVSA-N 393.472 3.876 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1Cl 222652767 FNVKFTQQMNAYPL-UHFFFAOYSA-N 375.808 3.817 0 40 GHAB COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)c(C)c1 40145664 VBVVRSIFWQAWMK-UHFFFAOYSA-N 375.852 3.537 0 40 GHAB O=C(COC1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 40140261 BXGITXQEGCSWEE-UHFFFAOYSA-N 394.537 3.539 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 223238637 OSUGJOXFZWZESU-GOSISDBHSA-N 376.859 3.575 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222566248 UHVBPGNVSVAOSW-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccccc1Cl 222999484 ZWRKBOSCEAHKMP-GOSISDBHSA-N 388.895 3.581 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc21 225865675 FOUOTAZFTYVXPQ-CQSZACIVSA-N 397.500 3.615 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 224632383 STKRBXVPKLLZRI-GOSISDBHSA-N 384.545 3.863 0 40 GHAB CCOC(=O)C1(c2ccc(NC(=O)c3ccc4c(c3)nc(C)n4C)cc2)CC1 225893150 WAOAADXJCXXPAE-UHFFFAOYSA-N 377.444 3.729 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)cc(C)c1 223887772 RKEQMSVNITXGSN-GOSISDBHSA-N 384.495 3.929 0 40 GHAB Cc1cc(C)c(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c(C)c1 220451425 GCIUJOANSWJIIK-AWEZNQCLSA-N 396.459 3.683 0 40 GHAB CCCc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(C)c2C)cc1 225196590 QKFUUZBWNRGOBN-UHFFFAOYSA-N 377.506 3.622 0 40 GHAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCSc1ccccc1 223462377 DRVXKLZHFJDDGN-FQEVSTJZSA-N 384.545 3.765 0 40 GHAB CC[C@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 222869176 WWWKSWPQBMLOPE-SFHVURJKSA-N 381.432 3.561 0 40 GHAB CN(Cc1ccc(O)cc1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 531261062 NOQPYYDNUCFZJO-QFIPXVFZSA-N 388.467 3.912 0 40 GHAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 96242022 RQLOLTBURPASAX-SFHVURJKSA-N 394.490 3.965 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)N(C)C)c2ccccc23)o1 96242035 MFPWMLKWCQOQAI-KRWDZBQOSA-N 380.488 3.728 0 40 GHAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 240739426 APTGAXVVTSODPN-HNNXBMFYSA-N 376.378 3.683 0 40 GHAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ccc(F)cc3)CCO2)n1 257306921 SWOSGKUANMQRHM-FQEVSTJZSA-N 395.434 3.960 0 40 GHAB Cn1ccnc1[C@H](NS(=O)(=O)c1csc2ccc(Cl)cc12)C1CC1 585081697 JGHNHNUBLCZUPL-OAHLLOKOSA-N 381.910 3.718 0 40 GHAB CN(Cc1ccccc1)c1nn(-c2cccc(C(F)(F)F)c2)nc1C(=O)O 256047261 LLXWNVLYBSAPQL-UHFFFAOYSA-N 376.338 3.621 0 40 GHAB CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2nnc(C3CC3)o2)CC1 600866638 NEGBIPGJCQRZTB-GOSISDBHSA-N 397.475 3.536 0 40 GHAB COc1ccc(C)cc1NC(=O)C(=O)NCCc1ccc(-c2ccoc2)s1 390829813 GUJQQCVVIHJXAH-UHFFFAOYSA-N 384.457 3.623 0 40 GHAB Cc1csc(Nc2cc([C@@H]3CCN(C(=O)/C=C/c4ccco4)C3)nc(C)n2)n1 585293057 VPCBFWVTBXQPGP-LLYBFZRZSA-N 395.488 3.916 0 40 GHAB COCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccc(C(C)C)cc3)C[C@H]12 585109758 PRVLDNCWPJEHOT-WPFOTENUSA-N 378.516 3.843 0 40 GHAB O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)c1ocnc1C(F)F 585123553 WTKPBLWJPAPHTQ-NSHDSACASA-N 396.394 3.826 0 40 GHAB O=C1CSc2ccc(NC(=O)N3CCC(C(=O)c4ccccc4)CC3)cc2N1 95949310 QQMDKTIHJMWXRW-UHFFFAOYSA-N 395.484 3.858 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1O[C@H](C)CC 7071284 RMZZFQKWSHLWMG-SEEODLKFSA-N 397.269 3.548 0 40 GHAB Nc1c(C(=O)N2CCCC2)sc2nc(N3CCCCC3)c3c(c12)CCCC3 5246555 CHOUOEJJBWVWDN-UHFFFAOYSA-N 384.549 3.984 0 40 GHAB COc1ccc(OCC(=O)OCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 12311878 WMJBMNBISBTQLR-IPELMVKDSA-N 378.465 3.621 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(F)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712343 YCEGAKCOOQCLSR-INIZCTEOSA-N 384.860 3.662 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 15638716 APADUQXCFAGDCD-AWEZNQCLSA-N 388.851 3.510 0 40 GHAB COc1ccc(-n2[nH]c3[nH]c(CSc4ccc(C)cc4)cc(=O)c3c2=O)cc1 17080386 CHGWRRFJFLYLAC-UHFFFAOYSA-N 393.468 3.616 0 40 GHAB COc1ccc([C@H]2CN(Cc3cccc(OC)c3)[C@@H]3CCCN(C(C)=O)[C@H]23)cc1 19017764 RNEOICBJBSNCNL-WXFUMESZSA-N 394.515 3.683 0 40 GHAB O=c1[nH]c(N2CCCCC2)nc2c1CCN(Cc1ccc(Cl)c(Cl)c1)C2 19292974 CPSPTGZJJIUKEQ-UHFFFAOYSA-N 393.318 3.625 0 40 GHAB Cc1cccc(-c2noc([C@H](C)NC(=O)c3cc(C)nc4onc(C)c34)n2)c1 19662704 IQHCCJIGAPEWKS-ZDUSSCGKSA-N 377.404 3.689 0 40 GHAB CC/N=C1\S/C(=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)C(=O)N1CC 6348064 NFFRYQYQDAGYMX-WJACMBERSA-N 396.516 3.801 0 40 GHAB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1C(=O)c1ccccc1F 5514701 GJDOCAMFXDCFJJ-NTEUORMPSA-N 388.401 3.776 0 40 GHAB CC(=O)NC1(c2ccc(F)cc2)CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 12188429 UWODHARSYLBXOT-FQEVSTJZSA-N 390.886 3.640 0 40 GHAB O=C(c1ccc(F)cc1)N1CCCc2cc([C@H](O)CN3CCCCC3)ccc21 12291343 MOVJLMARBMNQKN-JOCHJYFZSA-N 382.479 3.938 0 40 GHAB C[C@@H](CN1CCNC(=O)[C@H]1Cc1cccc(-c2ccncc2)c1)c1ccccc1 247967738 CDMACZZYPLTCQZ-YADARESESA-N 385.511 3.895 0 40 GHAB Cc1ccccc1COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 5570320 CCAUCQOBIVKDSC-UHFFFAOYSA-N 375.380 3.741 0 40 GHAB O=C(Cc1csc(COc2ccc(F)cc2)n1)NCCc1cccs1 23235387 UOUMLWNSBTUSII-UHFFFAOYSA-N 376.478 3.824 0 40 GHAB COc1ccc([C@H]2CCCN2CCCCN2C(=O)c3ccccc3C2=O)cc1 32759261 TZJSVEJMFUDXRF-OAQYLSRUSA-N 378.472 3.909 0 40 GHAB O=C1COC[C@]2(CCN(Cc3c(F)cccc3Cl)C2)CN1c1ccccc1 2037984026 NSSPNSZIAMYYIC-NRFANRHFSA-N 388.870 3.735 0 40 GHAB COc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3c(Cl)cccc23)cc1 1080563 YSMXYFAWZWEZGF-UHFFFAOYSA-N 378.881 3.659 0 40 GHAB COc1ccc2nc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)sc2c1 4583419 RKCLZNJWTHZGNR-JXMROGBWSA-N 379.485 3.667 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 4518001 LHHGMFYXWVUBEV-UHFFFAOYSA-N 384.482 3.565 0 40 GHAB O=C(NCc1nnc(SCc2cccc(F)c2)o1)c1c(F)cccc1F 5107604 VURBIRSCQPYYBB-UHFFFAOYSA-N 379.363 3.709 0 40 GHAB COc1cc(OC)cc(C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)c1 10330385 KMQWVMYNDXHMEQ-QFIPXVFZSA-N 378.472 3.890 0 40 GHAB Cn1cccc1[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)N1CCCC1 11845703 BKCCCWMADVRJAL-KRWDZBQOSA-N 396.318 3.664 0 40 GHAB O=C(Cc1csc(SCC(=O)c2ccccc2)n1)Nc1nccs1 12444162 FNIICLVCHUWSSG-UHFFFAOYSA-N 375.500 3.756 0 40 GHAB O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)NCc1cccs1 16978523 QWPOVCVMPIWLOP-UHFFFAOYSA-N 392.550 3.908 0 40 GHAB Fc1cccc(-c2ccc(N3CCN(Cc4csc(C5CC5)n4)CC3)nn2)c1 1775979133 ZLTXSIIGZXPANU-UHFFFAOYSA-N 395.507 3.939 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2ccco2)o1)c1ccccc1Br 1775965670 JBGSSBMDKVOPLO-ZDUSSCGKSA-N 376.206 3.766 0 40 GHAB COc1ccc(Nc2nc(C(=O)NCCc3cccs3)cs2)cc1OC 38582144 RQHKZBCXBONWHS-UHFFFAOYSA-N 389.502 3.938 0 40 GHAB CCOC(=O)C(=O)Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12 4267841 HBEPVTNAHXHWNR-UHFFFAOYSA-N 386.791 3.840 0 40 GHAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)/C=C/c1ccccc1OC(F)F 40069815 ZFPWYRDEJNFQMM-LAXYTXAUSA-N 386.398 3.696 0 40 GHAB CCC[C@](C)(NC(=O)c1cc(-c2cccs2)nc2onc(C)c12)C(=O)OC 40068509 XMNZQOAIRWWBHC-IBGZPJMESA-N 387.461 3.721 0 40 GHAB O=C(Nc1nc(-c2cccs2)cs1)C1=NN(Cc2ccccc2)C(=O)CC1 40128936 JQXLMLIXKKVIDD-UHFFFAOYSA-N 396.497 3.989 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2cnc(-c3ccccc3)s2)N2CCOCC2)o1 40108641 PZBITKRJXCSKIZ-KRWDZBQOSA-N 397.500 3.515 0 40 GHAB Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cncc(Br)c1 50383777 KIUNKQDDQFMVOH-UHFFFAOYSA-N 390.281 3.791 0 40 GHAB CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Cl)c1 2414752 JDTUUUKSMAGYRR-SFHVURJKSA-N 382.847 3.553 0 40 GHAB CCN(CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3cccs3)oc12 1582683 RPOFIMKSJQISEF-UHFFFAOYSA-N 385.485 3.949 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Cl)cc1 6322386 RXPCCDIHAKZXJG-UHFFFAOYSA-N 394.924 3.988 0 40 GHAB CCOC(=O)/C=C1/S[C@@H](C)C(=O)N1CC(=O)c1ccc(-c2ccccc2)cc1 6497361 SUONLWJPQIYZAQ-NPRIEWAGSA-N 395.480 3.905 0 40 GHAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc2c(c1)OCCO2 7068714 QHSZYJWCHXALBQ-UHFFFAOYSA-N 385.807 3.733 0 40 GHAB Cc1[nH]c(=S)sc1CC(=O)Nc1nc2cc3c(cc2s1)OCCO3 11752308 KABLHNDQAFPCEB-UHFFFAOYSA-N 379.488 3.676 0 40 GHAB O=C(CC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)N1CCC(Oc2ccccc2F)CC1 100731114 NJRSTVUWSFKMGY-PQJGELLGSA-N 387.495 3.917 0 40 GHAB NC(=O)c1ccsc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 2651999 ZWZZNLPHKDSTKH-UHFFFAOYSA-N 388.452 3.952 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N(C)Cc2cccc(Cl)c2)cc1 8119954 ZOECYNMVBNGWAF-INIZCTEOSA-N 387.911 3.566 0 40 GHAB C[C@@H](C(=O)NCC1CCCCC1)S(=O)(=O)Cc1ccccc1C(F)(F)F 32929675 TULIFKPDFCAQCA-ZDUSSCGKSA-N 391.455 3.705 0 40 GHAB O=C(CCSc1ccccc1Cl)Nc1cccc(N2C(=O)CNC2=O)c1 32933233 IHBQUDSSKNOANH-UHFFFAOYSA-N 389.864 3.517 0 40 GHAB O=S(=O)(Nc1ccccc1SC(F)(F)F)c1ccc2nc(O)oc2c1 32932349 LRFJYZUBWGJVOJ-UHFFFAOYSA-N 390.364 3.946 0 40 GHAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N(C)Cc1ccc(OC(F)F)cc1 22381988 JZMMAGGNFHFIJH-GOSISDBHSA-N 396.478 3.968 0 40 GHAB COc1ccc2cc(CN(C)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)ccc2c1 23760986 HLCFZKOCNUDAGW-QMHKHESXSA-N 395.503 3.738 0 40 GHAB COc1ccc(OCCN2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1 24574742 IXKQJYVTAYRJTF-UHFFFAOYSA-N 396.512 3.747 0 40 GHAB C[C@@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(-n2ccnc2)cc1 12547605 CGPPGHYRRVXQBX-OAHLLOKOSA-N 392.484 3.876 0 40 GHAB COC(=O)Nc1cccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 55516097 LKJAGAJJZWICRJ-UHFFFAOYSA-N 376.796 3.932 0 40 GHAB Cc1nnc2n(CCOc3ccc(Cl)cc3Cl)c3ccccc3n2c1=O 51325907 ZODUEDPNYWVDPC-UHFFFAOYSA-N 389.242 3.738 0 40 GHAB CC(C)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)cc1 3298772 VBYWPOGPFBAPGA-OAQYLSRUSA-N 399.878 3.869 0 40 GHAB C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C1 3214311 LBRQMWPKZSWKIL-OAHLLOKOSA-N 398.956 3.777 0 40 GHAB CC(C)(C)c1ccc(C[S@@](=O)CC(=O)N2CCc3sccc3C2)cc1 58086988 QMCDTWYSMSJAFF-VWLOTQADSA-N 375.559 3.879 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 3235117 LECUZVAFTJVUPX-SFHVURJKSA-N 389.451 3.903 0 40 GHAB CC[C@H](CNCc1csc(-c2ncccn2)n1)N1CCc2ccccc2C1 58289735 ABPUEFMRZSGJSV-LJQANCHMSA-N 379.533 3.527 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1 12630664 JOHDTDIQSYTNMQ-UHFFFAOYSA-N 392.221 3.927 0 40 GHAB Cc1nccn1-c1ccc(CNC(=O)c2cc(Cl)c3c(c2)OCO3)cc1F 58356527 OUFFJMMIZGNUOV-UHFFFAOYSA-N 387.798 3.632 0 40 GHAB C[C@H](OC(=O)c1ccccc1OC(F)F)C(=O)N1CCCc2ccccc21 3399564 FIRSZIGOTSDXNN-ZDUSSCGKSA-N 375.371 3.813 0 40 GHAB C/C=C/c1ccc(OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(OC)c1 12748270 CNQSOHVISPBNLR-NFBGWVBBSA-N 380.444 3.871 0 40 GHAB COc1cc(C2=NN=C(N[C@@H]3CCCC[C@@H]3C)SC2)cc(OC)c1OC 12797708 GCHFNXMRXQKPCQ-GXTWGEPZSA-N 377.510 3.688 0 40 GHAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1nc2ccc(Cl)cc2s1 12770554 UUSFZOAYMINSND-UHFFFAOYSA-N 395.818 3.987 0 40 GHAB O=C(Nc1nncs1)c1ccc(Oc2cccc(Br)c2)nc1 48290580 HZGBVDUZFYDHJV-UHFFFAOYSA-N 377.223 3.740 0 40 GHAB C[C@@H](NC(=O)c1cccs1)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 12906829 DMRDPPPOBIJKKT-LLVKDONJSA-N 399.497 3.564 0 40 GHAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccc(Cl)cc1 28043307 XQHWDYWZZKKPGR-MRXNPFEDSA-N 379.865 3.637 0 40 GHAB O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1cc(Cl)ccc1Cl 13021406 MDQITXYMVHOKAG-UHFFFAOYSA-N 396.299 3.717 0 40 GHAB CCNC(=O)COc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1 13002443 IJSFNRIXRNOLJC-HNNXBMFYSA-N 384.501 3.733 0 40 GHAB O=C1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)c2ccccc2N1 13015519 FWHKLUHRGXOZJF-UHFFFAOYSA-N 383.860 3.991 0 40 GHAB O=C(NC1CC1)c1cccc(N[C@H](C(=O)N2CCCCC2)c2ccccc2)c1 8232094 NQQBPRYDHVERQQ-NRFANRHFSA-N 377.488 3.745 0 40 GHAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)C1c2ccccc2Oc2ccccc21 69580844 VBGPACUJLWIKSW-AWEZNQCLSA-N 390.405 3.925 0 40 GHAB CCOC(=O)c1oc2ccccc2c1NC(=O)COC(=O)c1ccc(C)s1 5110713 WSMHOQHJQGPPRR-UHFFFAOYSA-N 387.413 3.775 0 40 GHAB Cc1cc(C)c2c3ccccc3n(CCNS(=O)(=O)c3ccc(F)cc3)c2n1 5274223 DXRGQSXYBXBTJX-UHFFFAOYSA-N 397.475 3.924 0 40 GHAB Cc1cccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)c1 8656793 VZPXVZKBBQVRGA-UHFFFAOYSA-N 377.267 3.760 0 40 GHAB O=C(Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O)c1cccc(F)c1 5573562 DMTADGKQYHOPKS-AWEZNQCLSA-N 379.366 3.920 0 40 GHAB C[C@@H]1CCN(C(=O)COC(=O)c2ccc(Cl)c(N)c2)c2ccccc2S1 5655910 GYAUFJILJRXGJV-GFCCVEGCSA-N 390.892 3.997 0 40 GHAB O=C(COc1ccc2c(c1)CCC2)Nc1cc(Cl)ccc1N1CCOCC1 6790692 BDRCKPUAKYUFLH-UHFFFAOYSA-N 386.879 3.683 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCOc2ccc(C(C)(C)C)cc2)c2ccccc21 4987812 MGBHPVPDSXCZSX-HSZRJFAPSA-N 381.472 3.576 0 40 GHAB C[C@@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1cccc2ccccc12 4999530 JPCMUFXSVHYROD-CYBMUJFWSA-N 379.485 3.921 0 40 GHAB O[C@H](COCc1ccccc1Cl)CSc1nncn1-c1ccccc1 8780415 DFJWJEGBPNRHLO-MRXNPFEDSA-N 375.881 3.591 0 40 GHAB COc1cc(C)c(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1OC 9053207 BJXOKLZILQXBPA-DOTOQJQBSA-N 382.460 3.560 0 40 GHAB CN(C)CCNC(=O)c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 9740747 SVUPIXODLZOUET-UHFFFAOYSA-N 382.895 3.543 0 40 GHAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc(F)c(F)c2F)N2CCCC2)cc1 84148705 DCUNBFRJUOBCRL-INIZCTEOSA-N 398.450 3.528 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2CN(Cc3ccccn3)C[C@@H]21 306126190 DPCNZDCLKRZQAY-UNMCSNQZSA-N 394.471 3.643 0 40 GHAB CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(OCC)c1 409247135 CATMGPBFEFIZMH-XDHOZWIPSA-N 380.444 3.885 0 40 GHAB COc1cccc(N2CC[C@@H](CNS(=O)(=O)c3ccc4ccccc4c3)C2)c1 89470182 WSBIMTOMQFCPQC-KRWDZBQOSA-N 396.512 3.653 0 40 GHAB Cc1ccccc1C(=O)N1CCC[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 306134054 NCPDZLBRFCJDMJ-SFHVURJKSA-N 389.503 3.658 0 40 GHAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC 408696748 DZIZPDYJZOFFOZ-UHFFFAOYSA-N 396.896 3.598 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 33606224 PPLBMXWRPNNQHX-CYBMUJFWSA-N 380.897 3.978 0 40 GHAB Cn1ccnc1[C@H]1C[C@H](NC(=O)Nc2cccnc2-c2ccccc2)CCO1 516849762 LXCNQIUWGNKDBZ-SJLPKXTDSA-N 377.448 3.524 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1nc2ccccc2[nH]1 519294179 JPSHHOVFBYETDT-IVZQSRNASA-N 388.471 3.781 0 40 GHAB COc1ccc(CC(=O)Nc2cc(C)nn2-c2cc(C)cc(C)c2)cc1OC 39976699 UKGCWTGKLVXARM-UHFFFAOYSA-N 379.460 3.996 0 40 GHAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl 32610032 PCULGVGHWNMKOC-KGLIPLIRSA-N 379.819 3.553 0 40 GHAB Cc1cccc(-c2nnc(-c3cc4c(N5CCOCC5)ncnc4s3)o2)c1 216603310 QJAFUDQJNIEENC-UHFFFAOYSA-N 379.445 3.553 0 40 GHAB C[C@H]1C[C@@H]1C(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(N)=O)CC1 72345081 MPDPUJKPAJEHHT-YJBOKZPZSA-N 382.529 3.708 0 40 GHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219608006 XDXLJTCQMXFLAY-INIZCTEOSA-N 393.867 3.840 0 40 GHAB COc1cc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)cc(OC)c1OC 45889894 RAEZZJHJOASMIJ-UHFFFAOYSA-N 387.461 3.773 0 40 GHAB COC(=O)c1cc(NS(=O)(=O)c2cc(C)c(OC)cc2C)ccc1Cl 224131600 MXBNJXZLMCITRY-UHFFFAOYSA-N 383.853 3.553 0 40 GHAB O=C(CSCc1ccc(F)cc1)N1CCN(C/C=C/c2ccccc2)CC1 44903196 VUZKAGLMCXXMDX-QPJJXVBHSA-N 384.520 3.917 0 40 GHAB C[C@@H](NC(=O)C1CCN(C(=O)NCc2ccco2)CC1)c1ccc(Cl)cc1 40130242 HADXSQOAEWNUME-CQSZACIVSA-N 389.883 3.732 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3ccc(CC)cc3)ccc21 223937505 LMNWZGSKOVNLHI-OAHLLOKOSA-N 386.517 3.588 0 40 GHAB Cc1nc(-c2cccc(NC(=O)c3nnn(-c4nccs4)c3C)c2)cs1 49032422 VZYOBIPAYQSHEC-UHFFFAOYSA-N 382.474 3.716 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(=O)(=O)c1ccc(F)cc1C 225598633 PLJZWGGPCCDQAY-INIZCTEOSA-N 379.453 3.723 0 40 GHAB CSc1nnc(NC(=O)COc2ccc(Cl)cc2Br)s1 40993168 BWPXPFRGKBYBAP-UHFFFAOYSA-N 394.703 3.693 0 40 GHAB N[C@@H](c1ccc(Cl)cc1)c1nc(-c2cc(Br)ccc2O)n[nH]1 95533992 SZGPTYOCIUKHFI-ZDUSSCGKSA-N 379.645 3.641 0 40 GHAB O=C(c1ccc(F)cc1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 98211718 DTFUCTRNGDEMGX-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB CC(=O)N[C@@]1(C)C[C@H](c2ccc(N3CCCC3=O)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257216685 CVRBLIMRYSZTKY-WXVWHYQRSA-N 384.520 3.974 0 40 GHAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cccnc3)C2)o1 257210382 BUKJLEDWHIMAHO-GOSISDBHSA-N 377.444 3.689 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)Cc2cccc(F)c2)c2ccccn2)CC1 257254100 KBOXTXOIPPTSKR-LTMIRXACSA-N 397.494 3.563 0 40 GHAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)/C=C/c2ccccc2)C1 257259446 KYJYZZXYXYBDJP-SGQUHAKNSA-N 388.471 3.853 0 40 GHAB Cc1cc([C@H]2CCCCN2Cc2ccnc(C)n2)nc(-c2c(C)noc2C)n1 257266430 MCZKNXZXYUBNGK-LJQANCHMSA-N 378.480 3.882 0 40 GHAB CN(C(=O)c1ccncc1)[C@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257328749 XGYFCIFRXIFVQX-FGOAKDMDSA-N 394.515 3.789 0 40 GHAB O=c1cc(-c2cccnc2)nc(-c2cccc(CN3CCCC(F)(F)C3)c2)[nH]1 48090858 ABMOOEARLOOQFX-UHFFFAOYSA-N 382.414 3.730 0 40 GHAB Cn1cc([C@H](O)CNC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 96096464 LRNJVILTTCMKJJ-QGZVFWFLSA-N 393.270 3.714 0 40 GHAB C[C@H](Oc1ccccc1F)C(=O)N1Cc2ccccc2[C@@H](c2cnn(C)c2)C1 575619651 OHVGRUNLVMSWJS-HNAYVOBHSA-N 379.435 3.501 0 40 GHAB Cc1ccc(-n2c(C)nn(CN3CCN(c4ccc(O)cc4)CC3)c2=S)cc1 56552612 HEAZPLDKLNPWDF-UHFFFAOYSA-N 395.532 3.505 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(NC2CC2)nc1 57231008 LTVZFSULUZSHHN-UHFFFAOYSA-N 378.476 3.924 0 40 GHAB COc1ccc(CN2Cc3ccccc3OC3(CCN(C)CC3)C2)c(OC)c1 72394169 MBMSYLBNYHICBO-UHFFFAOYSA-N 382.504 3.563 0 40 GHAB CO[C@H](CNC(=O)c1ccccc1I)c1ccc(F)cc1 72305425 CGPKNOAUWNLGTN-OAHLLOKOSA-N 399.203 3.548 0 40 GHAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 650924916 CPVXZTDJEMWBRN-JNHSIYEJSA-N 396.535 3.672 0 40 GHAB O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1 5001858 KHQFQZUEKMNRCX-UHFFFAOYSA-N 385.467 3.545 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)o2)c1 5294735 MAEXOOUOKZOQOM-HNNXBMFYSA-N 383.473 3.927 0 40 GHAB CCNC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1Br 12137186 GMLKNDZVPRLOQH-UHFFFAOYSA-N 391.265 3.525 0 40 GHAB COc1ccc(OCC(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 12311879 WMJBMNBISBTQLR-LZQZEXGQSA-N 378.465 3.621 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1SC)N(c1ccc(C)cc1)S(C)(=O)=O 13713725 ASYMSHHWJMXSAQ-QGZVFWFLSA-N 392.546 3.900 0 40 GHAB CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1CCCCC1 17356739 WGYSKOJUTKKYOD-UHFFFAOYSA-N 398.956 3.919 0 40 GHAB CN(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)C(C)(C)C)cc2)n1 19082216 UEOLAVNNFKFZEG-UHFFFAOYSA-N 389.503 3.934 0 40 GHAB Cc1ccc(-c2nnc([C@@H]3CCCN3S(=O)(=O)c3cccc(F)c3)o2)s1 19217800 NEQOTINOCKUDAK-AWEZNQCLSA-N 393.465 3.771 0 40 GHAB O=C(Cn1c(-c2ccc(F)cc2)cc2cccnc21)NCCCCn1ccnc1 19347098 QPINAJIGSOLGMR-UHFFFAOYSA-N 391.450 3.636 0 40 GHAB O=C(Cc1ccsc1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19406421 ITXCMYUKROCUBR-UHFFFAOYSA-N 385.514 3.509 0 40 GHAB CCCn1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)c(C)n1 19526033 BMSUZBGCNICWHU-QGZVFWFLSA-N 377.492 3.752 0 40 GHAB Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c(C)c1C 19556709 WWODLUYKVWOGEA-DNVCBOLYSA-N 387.499 3.901 0 40 GHAB CCCn1ncc2ccc([C@@H]3CCCN(CC(=O)Nc4ccc(F)cc4)C3)nc21 19742132 ACYQEOZBQAYOTB-QGZVFWFLSA-N 395.482 3.799 0 40 GHAB Cc1noc(C)c1CCC(=O)NCC1(c2ccc([C@H](C)O)s2)CCCC1 225681175 OXMYIOORJGQCTC-AWEZNQCLSA-N 376.522 3.967 0 40 GHAB COc1ncccc1NC(=O)N1CC(Cc2ccccc2Br)C1 626287770 MJBOFRUWUYDFEN-UHFFFAOYSA-N 376.254 3.559 0 40 GHAB CN(C)CC1CCC2(CC1)CN(C(=O)c1ccccn1)Cc1ccccc1O2 12122493 UFOQGIXKVTVEKD-UHFFFAOYSA-N 379.504 3.607 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)c3ccc(NC(=O)CC(C)C)cc3)nc2n1 3370155 VPHJYEBMBYYFKA-UHFFFAOYSA-N 397.504 3.701 0 40 GHAB O=C(CC1(C(=O)O)CCCC1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 13469073 QLFJTVUJUHZSOM-UHFFFAOYSA-N 381.354 3.865 0 40 GHAB CC(C)(C)NC(=O)[C@H]1CCN(c2ncc(Br)cc2C(F)(F)F)C1 1888859549 PCWNNGKIZLPIBW-VIFPVBQESA-N 394.235 3.604 0 40 GHAB COc1ccc(CN(CCCCN2C(=O)c3ccccc3C2=O)C2CC2)cc1 21582870 ZRLJDYQQQIKYHH-UHFFFAOYSA-N 378.472 3.736 0 40 GHAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)c1cc2ccccc2oc1=O 238840625 HTKGFPAAWBNGEM-HXUWFJFHSA-N 397.477 3.582 0 40 GHAB COc1ccc(C)cc1NC(=S)NCCc1cc2cc(C)c(C)cc2[nH]c1=O 4225344 JEEIPDXPAQFJJL-UHFFFAOYSA-N 395.528 3.991 0 40 GHAB Cc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 4341514 PGAZKLFBXQJWST-UHFFFAOYSA-N 393.447 3.994 0 40 GHAB CCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21 8962407 FGPZDKCICCHJKB-UHFFFAOYSA-N 378.881 3.581 0 40 GHAB CC1=CC(C)(C)N2C(=O)[C@@]3(CN(C)C[C@H]3C(=O)c3cccs3)c3cccc1c32 1857657212 LXTWAQNGXDVFAZ-SBUREZEXSA-N 392.524 3.973 0 40 GHAB CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)Nc2cccc(C)c2)CC1 22460672 OVDQDHUTZFOXFF-XLIONFOSSA-N 386.565 3.945 0 40 GHAB O=C1C[C@H](N2CCC(CCc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 100227749 NWLPXYSDKJPUBQ-NRFANRHFSA-N 398.453 3.942 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1-n1cnnn1 33081944 LOCWJZSQDZOJEA-NSHDSACASA-N 392.246 3.684 0 40 GHAB O=C(Nc1cccc(CN2CCOC2=O)c1)C1=Cc2cc(Cl)ccc2OC1 40121476 OZSONMWGVKBASL-UHFFFAOYSA-N 384.819 3.707 0 40 GHAB CCN1CCc2nc(NC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)sc2C1 40140355 LCQSPXJQBPUGFJ-UHFFFAOYSA-N 387.505 3.830 0 40 GHAB O=S(=O)(NCCc1cccc2cccnc12)c1ccc(C(F)(F)F)cc1 30442874 CAWYYXWVDJJBNL-UHFFFAOYSA-N 380.391 3.775 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2nc3ccccc3s2)c(C)c1 790444 DHLDPBJSEPZSLL-UHFFFAOYSA-N 396.501 3.620 0 40 GHAB Cc1cc2occ(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)c2cc1C 36728754 RSQVDSZCEPIQBN-UHFFFAOYSA-N 390.361 3.764 0 40 GHAB O=S(=O)(Nc1cccc(OCc2ccccn2)c1)c1ccc(F)c(F)c1F 36760489 VICVVBNDAXFPLC-UHFFFAOYSA-N 394.374 3.879 0 40 GHAB COc1cc(CNn2cnnc2)ccc1OCc1c(Cl)cccc1Cl 1088832 VJOPUNVSPRAORB-UHFFFAOYSA-N 379.247 3.916 0 40 GHAB COCCCn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1cccs1 4161518 DSUJNOLHYSFTBY-AWEZNQCLSA-N 394.566 3.536 0 40 GHAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(NS(C)(=O)=O)c1 29164913 GDCRGWZNBQHQCU-UHFFFAOYSA-N 381.457 3.681 0 40 GHAB C[C@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)c(F)c1F 4439184 CSSJYXFWAKLQDH-NSHDSACASA-N 393.361 3.542 0 40 GHAB O=C(c1ccccc1Cl)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 20612050 RSMNURXVWLMFOV-UHFFFAOYSA-N 382.891 3.777 0 40 GHAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S 6635782 QPKBHMSFKKBDLP-LERPTODRSA-N 395.502 3.548 0 40 GHAB CC(C)N(C)Cc1ccccc1CNc1ccc2nnc(C(F)(F)F)n2n1 52243871 COYUUQQICYKWAT-UHFFFAOYSA-N 378.402 3.595 0 40 GHAB CN(Cc1ccccc1)C[C@@H](O)CSc1nnc(C2CC2)n1-c1ccccc1 60368084 SELRWDJCXWOIET-HXUWFJFHSA-N 394.544 3.730 0 40 GHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NC1CCCCCC1)S(C)(=O)=O 10324097 CUMZMLBMRJAWQQ-AWEZNQCLSA-N 386.945 3.642 0 40 GHAB Cc1ccc2c(COC(=O)c3ccc4c(c3)CCC(=O)N4)cc(=O)oc2c1C 32841133 QIDXVQKZMLSRNT-UHFFFAOYSA-N 377.396 3.652 0 40 GHAB O=C(COC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)NC(=O)CO2 32898737 HPTXBRXHDUPFAF-UHFFFAOYSA-N 388.423 3.762 0 40 GHAB CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OC(=O)c1ccc(OC)cc1 59272399 XBVDYOURZIGXLQ-BOPFTXTBSA-N 399.424 3.637 0 40 GHAB C[C@H]1CCCN(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)C1 8008065 KGIIXDUTNFXNPC-CVEARBPZSA-N 380.488 3.775 0 40 GHAB COc1ccccc1CN1[C@H]2CCC[C@H]1CC(NC(=S)NCC(C)C)C2 100425810 QXAXVXPUHLUHME-OALUTQOASA-N 375.582 3.701 0 40 GHAB COc1cccc(C(=O)Nc2cc(C(=O)Nc3ncc(C)s3)ccc2OC)c1 32925688 UQSVQJOKICQMCK-UHFFFAOYSA-N 397.456 3.973 0 40 GHAB COc1ccc(NC(=O)NCCC(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 21897853 SHYUMUPSWFJJRG-UHFFFAOYSA-N 385.439 3.537 0 40 GHAB CC(C)(CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCCCC1 22653486 JDFGFYIVAYEMNR-UHFFFAOYSA-N 385.533 3.995 0 40 GHAB C[C@@H](NC(=O)CSc1ccc2c(c1)OCCO2)c1ccc(-n2ccnc2)cc1 12507549 BQTLFYHWIOIFQS-OAHLLOKOSA-N 395.484 3.613 0 40 GHAB CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ncnc2sccc12 54389178 WKJCZTJJTOTSRE-GFCCVEGCSA-N 383.395 3.586 0 40 GHAB COC(=O)[C@@]1(Cc2ccc(F)cc2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186335 SYYQGPPOANIFCN-TXTKFYIRSA-N 381.447 3.534 0 40 GHAB O=S(=O)(NCc1ccc(Cn2ccnc2)cc1)c1cccc(Cl)c1Cl 54534154 JITYJDWLALRZHB-UHFFFAOYSA-N 396.299 3.717 0 40 GHAB Cc1cnc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3C)CC2)cn1 100744847 NDMKDMJABYUTQA-CALCHBBNSA-N 390.491 3.582 0 40 GHAB CCOc1cc(C(=O)OCC(=O)Nc2ccccc2)cc(OCC)c1OCC 1281150 YVURHXJITSKROA-UHFFFAOYSA-N 387.432 3.678 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 24775306 VQRYHCJLMISQRB-RTBURBONSA-N 379.504 3.981 0 40 GHAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COc2ccc(Cl)c(C)c2)n1 3292900 MHKYEUMRTKVCQI-UHFFFAOYSA-N 385.855 3.567 0 40 GHAB COc1ccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c(OC)c1OC 24971993 ACDCZUNOIQVFCG-UHFFFAOYSA-N 399.487 3.903 0 40 GHAB CC[C@]1(N2CCCCC2)COc2c(I)cc(C)cc2C1=O 55124400 DWUHPBNOKKPMGI-KRWDZBQOSA-N 399.272 3.809 0 40 GHAB COc1ccc(-c2csc3ncnc(NCC(C)(C)N4CCOCC4)c23)cc1 25778336 ZREIGBIIZXPEDJ-UHFFFAOYSA-N 398.532 3.890 0 40 GHAB COCCn1c(S[C@H](C)C(=O)NCc2ccco2)nc2cc(Cl)ccc21 43940433 FUMAQGAWOHGHFP-GFCCVEGCSA-N 393.896 3.726 0 40 GHAB CC(C)(C)[C@H]1CCN(Cc2ccc(OCC(=O)Nc3ccccc3)cc2)C[C@H]1O 108173812 MADZDLNMXDGUDU-FCHUYYIVSA-N 396.531 3.933 0 40 GHAB c1ccc(-n2nnnc2C2(Nc3ccc4c(c3)OCCO4)CCCCC2)cc1 35622445 KTUVPPLUTIGHBA-UHFFFAOYSA-N 377.448 3.705 0 40 GHAB CSc1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 27021689 ZWEJPONLOWAOAI-XTPUDKEYSA-N 377.494 3.591 0 40 GHAB Cc1cccc(OCC(=O)Nc2nonc2-c2ccc(Br)cc2)c1 27583073 WFGSNBVHCKIQDB-UHFFFAOYSA-N 388.221 3.825 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)o2)c1 2184325 YNYZXKWWANMQIY-UHFFFAOYSA-N 383.429 3.547 0 40 GHAB O=C(COC(=O)c1nc(Cl)ccc1Cl)N[C@@H]1CCCc2ccccc21 3367366 FBVLTANECYPZLP-CQSZACIVSA-N 379.243 3.739 0 40 GHAB COc1ccc(OCc2nnc3sc(-c4ccc(N(C)C)cc4)nn23)cc1 10312308 XEGYKJJRTUVBNJ-UHFFFAOYSA-N 381.461 3.506 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 2393881 DIEGCRVHUANPMO-UFUQCMIWSA-N 389.904 3.569 0 40 GHAB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@@H]2CCCO2)cc1 12852347 NAMBGZIFRBDGFF-IBGZPJMESA-N 379.435 3.896 0 40 GHAB CCOc1ccc(NC(=O)NCC(=O)Nc2cccc(CC)c2)cc1OCC 12945473 HMABJYPULQDZQT-UHFFFAOYSA-N 385.464 3.807 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 13010123 CNWAYIAVXZWZQT-KRWDZBQOSA-N 382.460 3.583 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1OC 8257682 VZHBOOGLYRODGV-NSHDSACASA-N 388.493 3.627 0 40 GHAB CNC(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 8343857 VCCLDIGUWPXSBB-UHFFFAOYSA-N 377.448 3.502 0 40 GHAB CCOc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 6083105 OARNWXVVMVTHAQ-UHFFFAOYSA-N 397.500 3.833 0 40 GHAB Nn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1ccc(Cl)cc1Cl 5072094 HJIWCTBYTLLJFE-UHFFFAOYSA-N 395.271 3.956 0 40 GHAB c1ccc(-c2nc3c4c5c(sc4nc(N4CCOCC4)n3n2)CCCC5)cc1 13720711 ZYVOKFQPPXLEEU-UHFFFAOYSA-N 391.500 3.721 0 40 GHAB CCCOC(=O)c1cc(NC(=O)CSc2nnc(C)s2)ccc1Cl 408599946 PFXSRWDHPQHWFX-UHFFFAOYSA-N 385.898 3.798 0 40 GHAB O=C(COC(=O)c1ccc(Br)o1)Nc1ccc(F)cc1Cl 6453272 SGDALDPYAQVNGK-UHFFFAOYSA-N 376.565 3.630 0 40 GHAB O=C(Cc1ccccc1)C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 4554661 DBQVDTTYONMUPU-RUZDIDTESA-N 385.463 3.665 0 40 GHAB O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1C(F)(F)F 14869141 KPNIQUIOZIZCEY-UHFFFAOYSA-N 381.278 3.828 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C(C)=O)cc1OC 7001857 ALDGMTJCWMEFSX-UHFFFAOYSA-N 377.824 3.886 0 40 GHAB Cc1cc(NC(=O)COC(=O)Cc2ccc(F)cc2)ccc1Br 7514886 IQXRKSYJPOOQSY-UHFFFAOYSA-N 380.213 3.621 0 40 GHAB COc1ccc(-c2noc(-c3nnn(-c4ccc(Cl)cc4)c3C)n2)cc1OC 7615918 BZXLTBYCWDTPAG-UHFFFAOYSA-N 397.822 3.963 0 40 GHAB COc1ccccc1OCC(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 7670582 OVPIQUSZRYDODP-OAHLLOKOSA-N 398.484 3.896 0 40 GHAB Cc1ccc([C@H](CNC(=O)CCOc2ccc(Cl)cc2)N2CCCC2)o1 72072604 NENCVYJJSSCATB-SFHVURJKSA-N 376.884 3.964 0 40 GHAB NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1 9218129 RCGYLZVMDWUBFW-KRWDZBQOSA-N 376.441 3.846 0 40 GHAB CCCn1nc(C(=O)OCc2cc(-c3cccs3)on2)c2ccccc2c1=O 9364219 DVTNBGDVQLMQCS-UHFFFAOYSA-N 395.440 3.880 0 40 GHAB Cc1nc(CN2CCO[C@H](c3nc4ccc(-c5ccccc5)cn4n3)C2)cs1 306130917 JSQADVWVZPVNFW-IBGZPJMESA-N 391.500 3.735 0 40 GHAB Cc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccccc3)cc2)cc1 9575841 MHVDKCJBOKMLCZ-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB O=C(C[C@@H]1OCCc2ccsc21)/N=c1\[nH]ccn1Cc1ccccc1Cl 89814050 MRIMELMPUKLURV-INIZCTEOSA-N 387.892 3.711 0 40 GHAB C[C@@H](OC(=O)C[C@@H]1CSCCS1)C(=O)Nc1ccc2ccccc2c1 95443960 GCJOAYNVTIFFSI-CXAGYDPISA-N 375.515 3.949 0 40 GHAB Cc1cc(OCCCC(=O)Nc2ccc(Cc3nnn[nH]3)cc2)ccc1Cl 78714624 GWGZXDQSMPTVCU-UHFFFAOYSA-N 385.855 3.550 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1 79050911 KXXKCDDZGJEWCM-CYBMUJFWSA-N 381.444 3.877 0 40 GHAB C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCCCSc1ccccc1 79068887 AXYXLPYWAQTNGG-HNNXBMFYSA-N 395.521 3.534 0 40 GHAB COc1ccc(-c2[nH]c(-c3cccn3C)nc2-c2oc(C)cc(=O)c2O)cc1 1547206035 MADMOJVCAGOLHL-UHFFFAOYSA-N 377.400 3.725 0 40 GHAB biogenic CCOC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2N2CCCC2)cc1 32642811 MEHJTOKOEDZVOS-UHFFFAOYSA-N 390.443 3.659 0 40 GHAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 408622992 QJRAVGZNBHGFDX-UHFFFAOYSA-N 382.464 3.883 0 40 GHAB CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(OC)c2)cc1 409118976 QTRRTPFESWOZHU-UHFFFAOYSA-N 398.488 3.714 0 40 GHAB CN(C(=O)Cn1cc(C(N)=O)c2ccccc21)[C@H]1CCCC[C@H]1c1ccccc1 1528612566 SJFDPFVRCJIGHV-RXVVDRJESA-N 389.499 3.925 0 40 GHAB Cc1ccc(N2C(=O)/C(=C/NNc3nc(C)cs3)c3ccccc3C2=O)cc1 32735806 NTJHSBPUWGJENG-WOJGMQOQSA-N 390.468 3.905 0 40 GHAB O=C(C1CCCCC1)N1CCN(c2ccccc2)C[C@H](Cc2cnccn2)C1 72353540 ZJOKRASNNLJKMS-IBGZPJMESA-N 378.520 3.564 0 40 GHAB CCc1nnc(Nc2cc([C@@H]3CCCN3Cc3cccnc3)nc(C)n2)s1 72360215 TYAGJAMBHXAYHO-INIZCTEOSA-N 381.509 3.675 0 40 GHAB Cc1nn(C)c2nc(C3CCN(C(=O)CCc4ccccc4F)CC3)ccc12 72374111 ABJAZIYUOSKXCP-UHFFFAOYSA-N 380.467 3.755 0 40 GHAB CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 72378528 JYSFASCCXSMSRD-LJQANCHMSA-N 375.476 3.521 0 40 GHAB Cc1ccccc1CN(C(=O)COc1ccccc1C)[C@H](C)C(=O)NCC(C)C 224111409 OGZPSLJYEJERCE-HXUWFJFHSA-N 396.531 3.872 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)s1 44204329 RBXHRWXGKVPQOD-GFCCVEGCSA-N 395.531 3.736 0 40 GHAB CSc1cccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 222554122 VSGBGFYUSPYMFG-UHFFFAOYSA-N 392.546 3.902 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225098695 ZFSPIACNMPXURW-QGZVFWFLSA-N 386.473 3.888 0 40 GHAB CCCc1ccc(OCCNC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 223452420 QXUBHTPSONDFPY-GXDHUFHOSA-N 399.487 3.873 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(C)cc1C 225682396 LYSUHHBZMYQOEV-MRXNPFEDSA-N 390.530 3.646 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 225065577 PXTVTIMTJWCZPI-FQEVSTJZSA-N 380.532 3.832 0 40 GHAB COC(=O)C[C@@H](c1oc(CSc2ccc(OC)cc2)cc(=O)c1O)C(C)C 96115581 TXVHIGVWHWOCRQ-MRXNPFEDSA-N 392.473 3.949 0 40 GHAB biogenic Cc1cc(-c2c(C)noc2C)nc([C@H]2CCCCN2C(=O)C2CCOCC2)n1 257249317 JHQSJFMZXWNBQS-GOSISDBHSA-N 384.480 3.537 0 40 GHAB Brc1ccccc1CC1CN(c2ncnc3c2ncn3C2CC2)C1 585123380 GIWIZUOYKPDCHR-UHFFFAOYSA-N 384.281 3.603 0 40 GHAB Cc1cc(C)n(-c2nc(CCNC(=O)c3cccc(C(F)(F)F)c3)cs2)n1 90609316 FEEGXGJVDGOZFH-UHFFFAOYSA-N 394.422 3.937 0 40 GHAB O=C(CSCc1cscn1)N[C@H](CO)c1cccc(Cl)c1Cl 598398879 MJWHBZACYFAFRB-GFCCVEGCSA-N 377.318 3.533 0 40 GHAB C[C@@H](c1ccccc1)n1cc(NC(=O)N2CCCC[C@@H]2c2cnn(C)c2)cn1 646448382 YLJMATCDWDJOFF-OXJNMPFZSA-N 378.480 3.985 0 40 GHAB Cc1cc(-c2cccnc2)nn1CCNC(=O)c1ccc(OC(F)(F)F)cc1 390827119 UMDKODNUAQGVFG-UHFFFAOYSA-N 390.365 3.582 0 40 GHAB O=C(N[C@H](CC(F)(F)F)c1ccccc1)[C@H]1CCCN(c2cnccn2)C1 55868417 KMNAUNNQYHGQIQ-JKSUJKDBSA-N 378.398 3.503 0 40 GHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 7070882 UCXGMQVWIRILIX-VAENJDROSA-N 398.824 3.626 0 40 GHAB COc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCCC2)cc1OC 8011634 OOVMQJLVWJDXII-ZRDIBKRKSA-N 380.488 3.629 0 40 GHAB CC(C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 5007429 QTNVDNATKWOESF-XNTDXEJSSA-N 377.462 3.852 0 40 GHAB Cc1ccc2[nH]c(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)nc2c1 5071496 QBYINARBUSLUMB-ZDUSSCGKSA-N 380.473 3.727 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1C 12735562 YJYMBBAKQFTICH-ZDUSSCGKSA-N 393.867 3.758 0 40 GHAB COc1ccc(-c2noc(COc3ccc4c(C)cc(=O)oc4c3)n2)cc1OC 12990593 GQLKOOCGLMICDX-UHFFFAOYSA-N 394.383 3.748 0 40 GHAB C[C@@H](NC(=O)CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 13061333 KNRNBEPTILIRJY-OAHLLOKOSA-N 392.330 3.993 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C)c2nc3ccccc3nc21 14901069 XCUWPSCWPRQLSE-UHFFFAOYSA-N 385.427 3.690 0 40 GHAB Cc1ccc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)o1 19216570 LTQUXMGWIFTPDE-PGRDOPGGSA-N 399.510 3.898 0 40 GHAB CCCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1 19501193 DYYABPNPWHLPOA-HSZRJFAPSA-N 382.479 3.929 0 40 GHAB CC1CCN(c2ccc(C(=O)NC3CCN(Cc4ccccn4)CC3)cc2)CC1 19715584 OJWYDOJKWOMFGU-UHFFFAOYSA-N 392.547 3.712 0 40 GHAB Cc1ccccc1CNc1nc(O)cc(C2CCN(Cc3cccnc3)CC2)n1 19717507 ALOZNJZZEDQLHE-UHFFFAOYSA-N 389.503 3.877 0 40 GHAB Cc1cc(C)nc(N2CCC(CC(=O)NCCCc3ccc(F)cc3)CC2)n1 19748723 BEFAXZDILJDUCX-UHFFFAOYSA-N 384.499 3.588 0 40 GHAB Cn1nc([C@H]2CCCN(C(=O)c3nsc(Cl)c3Cl)C2)c2cccnc21 12253731 XMFXBKPMGFCPIN-VIFPVBQESA-N 396.303 3.751 0 40 GHAB Cc1ccc2c(c1)CN(C)C[C@]1(CCCN(C(=O)Cc3ccc(F)cc3)C1)O2 12365367 DFXWCMRZESVBKE-QHCPKHFHSA-N 382.479 3.562 0 40 GHAB O=C(NCc1ccccn1)c1cc(C2CCN(CC3CCCCC3)CC2)no1 19401929 HQNLUAWTGXOEEL-UHFFFAOYSA-N 382.508 3.759 0 40 GHAB CCN1CCC2(CC1)c1[nH]c3ccc(OC)cc3c1CCN2C(=O)C1CCC1 19527068 DDENHFNAEVYPKI-UHFFFAOYSA-N 381.520 3.672 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CC[C@H](N(C)C)C3)c3cnn(C(C)C)c3n2)cc1 590476880 SUJXEGZJMOLAFN-SFHVURJKSA-N 391.519 3.764 0 40 GHAB Cc1nc2ccccc2n1C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 6188040 PKEPFTYVDLZKHT-UHFFFAOYSA-N 381.391 3.834 0 40 GHAB Cc1ocnc1CN1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1889007677 AUNAZUKNTISCCS-UHFFFAOYSA-N 386.459 3.763 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)NCC1(c2ccccc2)CC1)c1ccccc1F 29725060 GOLDULPZNIABBX-IBGZPJMESA-N 378.451 3.680 0 40 GHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CCSCc2csc(C)n2)c1 29973329 RDODMIMYJIALLT-UHFFFAOYSA-N 391.562 3.789 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)c1 4077999 GGRNRNZWUULRSL-UHFFFAOYSA-N 378.523 3.870 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)c1 4077192 FYCRNHBOQYIGOB-UHFFFAOYSA-N 381.457 3.889 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CCS(=O)(=O)c3ccccc3)n2)cc1 4325494 YMBKKCHKTUDUNH-UHFFFAOYSA-N 386.498 3.921 0 40 GHAB COc1ccccc1CNC(=O)CSc1ccc(-c2ccc(C)cc2)nn1 4356117 JGUQOLZBNORVTI-UHFFFAOYSA-N 379.485 3.869 0 40 GHAB Cc1ccc(-c2ccc(SCC(=O)Nc3ccc4c(c3)OCO4)nn2)cc1 4356020 KPQQTRAUHJQGJW-UHFFFAOYSA-N 379.441 3.912 0 40 GHAB COc1ccc(Cl)cc1-n1nnc(-c2nc(-c3ccccc3C)no2)c1N 6868234 JICMYJJUTOLBIM-UHFFFAOYSA-N 382.811 3.537 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3nc4nc(C)cc(C)c4s3)CC2=O)cc1 11666342 OXUUAJVOPYPOKK-CQSZACIVSA-N 380.473 3.608 0 40 GHAB O=S(=O)(c1ccccc1Cl)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775970792 RFFWRLUQFAWUQR-UHFFFAOYSA-N 387.892 3.813 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NCC1CCN(Cc2ccsc2)CC1 43953923 MSUGPHMQZHWQAU-UHFFFAOYSA-N 398.981 3.900 0 40 GHAB Cc1c(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)oc2ccccc12 19566170 DSBFZLMMKWXSEQ-GOSISDBHSA-N 376.460 3.544 0 40 GHAB C[C@H]1ON=C(c2ccccc2Cl)[C@H]1C(=O)NCCOc1ccc(Cl)cc1 104529439 YUXYPQVRJXOKMX-PXAZEXFGSA-N 393.270 3.928 0 40 GHAB CC[C@H](C(=O)NCc1ccccc1CN1CCN(CC)CC1)c1ccccc1 40089826 VNIODAKUFQDNNN-QHCPKHFHSA-N 379.548 3.634 0 40 GHAB COC(=O)/C(=C/Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 100025848 LTTNXPWJNRZEFO-DHDCSXOGSA-N 387.791 3.518 0 40 GHAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(C)c(F)c3)CC2)cc1F 40113985 KLALYNJPTBLDMF-UHFFFAOYSA-N 386.442 3.750 0 40 GHAB COc1cc(C(=O)NC2=NCCS2)ccc1OCc1ccccc1Cl 36724841 HAZZLIQJKAYOER-UHFFFAOYSA-N 376.865 3.760 0 40 GHAB C[C@H](NC(=O)CSc1nc2c(c(=O)n1C)C1=C(CCCC1)C2)c1ccccc1 1095856 IWJKAMRLQIKUDY-AWEZNQCLSA-N 395.528 3.634 0 40 GHAB COc1cc(OC)c(NC(=O)CCc2ccc(OC)c(OC)c2)cc1Cl 11600764 WETTVAHXSWYROK-UHFFFAOYSA-N 379.840 3.946 0 40 GHAB COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(NC(C)=O)cc2)n1 4434059 NMXKQCCZXUXZOX-UHFFFAOYSA-N 394.431 3.665 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3ccccc3c2)cc1 6460444 WRSQETOSNJNVES-CQSZACIVSA-N 376.412 3.982 0 40 GHAB Cc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 6766712 HVBMOOTVSRRXIG-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB Cc1cc(C)c(NC(=O)CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)c1 7305671 HIZCROQRFXOXED-UHFFFAOYSA-N 388.533 3.763 0 40 GHAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(Nc2ccccc2)cc1 21006953 LBYRBAZITKPXNA-UHFFFAOYSA-N 395.484 3.737 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 32736256 FHQQIUICESCTTK-UHFFFAOYSA-N 379.460 3.765 0 40 GHAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccco3)c(=O)[nH]c2c1C 8582511 QBVCRPLJVXJBGJ-SFHVURJKSA-N 380.444 3.559 0 40 GHAB O=C(NCCc1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 32862610 DUBNHORKKGLIDJ-UHFFFAOYSA-N 375.875 3.549 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc3c(C)nn(CC(C)C)c3s2)on1 32876099 WFKWVSJGOAWDTQ-GFCCVEGCSA-N 390.465 3.543 0 40 GHAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1cccc(Cl)c1Cl 32916322 RZNNUUBQCPIWFJ-UGFHNGPFSA-N 385.291 3.738 0 40 GHAB COc1cccc(-c2cc(C(=O)Nc3nc4c(s3)[C@H]3CC[C@H](C4)N3C)no2)c1 100114659 UEKKDJOEZHXFSL-MLGOLLRUSA-N 396.472 3.750 0 40 GHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)n1cccc/c1=N\C(C)C 22378985 HFHHJYQGRIKLGZ-DARPEHSRSA-N 387.487 3.883 0 40 GHAB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1 725764 OFZYXUFIJSENOP-XNTDXEJSSA-N 386.201 3.580 0 40 GHAB CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)CC1 8231786 CZBZSETZCPLQLH-UHFFFAOYSA-N 376.460 3.531 0 40 GHAB O=C(c1cn(Cc2ccccc2)nn1)N1CCCc2cc(C(F)(F)F)ccc21 24473076 YKZIQDRMUYKBIE-UHFFFAOYSA-N 386.377 3.938 0 40 GHAB CC/C(N[C@@H](C)c1ccccc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 1275013 ZNYAHOXTJFADKI-MJWGMMHASA-N 377.444 3.593 0 40 GHAB COCc1nn2c(O)cc(Cc3ccc(F)cc3)nc2c1-c1ccc(OC)cc1 100776164 FWQXRIBBXNQFLR-UHFFFAOYSA-N 393.418 3.987 0 40 GHAB COc1ccc2cc(CN(CCN3CCOCC3)Cc3cccnc3)ccc2c1 22931439 ATOINYQOKUMRET-UHFFFAOYSA-N 391.515 3.578 0 40 GHAB C[S@@](=O)c1ccc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 56460897 VUNXKMYROBVJFX-NDEPHWFRSA-N 399.512 3.785 0 40 GHAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CCN(c2ccccc2)CC1 57476762 FQYLKSUNSPHCCW-NRFANRHFSA-N 399.494 3.555 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 113970913 YFDRRCKZCLEUIG-LJQANCHMSA-N 393.487 3.897 0 40 GHAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc(Nc2ccccc2)c2ccccc2n1 12591973 DHGIAYYEWZKDJR-CYBMUJFWSA-N 395.488 3.700 0 40 GHAB O=C1C[C@H](c2ccccc2)N(C(=O)Nc2ccccc2C(F)(F)F)CCN1 58198479 RRCJOJQPKUZESH-MRXNPFEDSA-N 377.366 3.801 0 40 GHAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@H]2C(=O)Nc1ccccc1 44891180 TZDWRBYBYARTEX-KRWDZBQOSA-N 376.416 3.868 0 40 GHAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)Nc1ccc(F)cc1 21112684 NKFJCFUSSDPSPQ-UHFFFAOYSA-N 392.843 3.907 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3ccc4nc(Cl)ccc4c3)CC2)cc1 36390679 PKMWIXWBBIAKSE-UHFFFAOYSA-N 395.890 3.855 0 40 GHAB C[C@H](C(=O)N[C@@H](c1ccccc1)C1CCCC1)N1C(=O)c2ccccc2C1=O 2337477 CWAXEJXJFKZJHD-QRWLVFNGSA-N 376.456 3.719 0 40 GHAB O=C(CSc1nncn1-c1ccccc1)N1CCC(Cc2ccccc2)CC1 3277317 FBKDFTGMTKHDSX-UHFFFAOYSA-N 392.528 3.841 0 40 GHAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccc5c(c4)OCO5)[C@H]3C=C12 12661615 PZQGPNVZQAVIQA-BPVRBSMNSA-N 381.472 3.739 0 40 GHAB biogenic O=C(COc1ccccc1Cc1ccccc1)NCCc1nc2ccccc2[nH]1 12627354 BGDZWXNOHDIVSP-UHFFFAOYSA-N 385.467 3.891 0 40 GHAB CC(=O)Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 8394260 YLKBIHCHDZLPCF-HXUWFJFHSA-N 394.471 3.713 0 40 GHAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NC(C)(C)C)ccc32)cc1 20765911 BVOBGEIQDPJCMA-UHFFFAOYSA-N 386.517 3.665 0 40 GHAB O=C(NC1CC1)c1cccc(NC(=O)c2cc(Br)ccc2F)c1 12878452 WNQKHPLBFMFGLB-UHFFFAOYSA-N 377.213 3.733 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 12878665 WKMSHJMLQDPVSM-OAQYLSRUSA-N 380.488 3.707 0 40 GHAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O 12976237 VWWWBHWJRFUMDZ-QFBILLFUSA-N 393.270 3.884 0 40 GHAB COc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 3656283 VJAURPJDAADMQA-UHFFFAOYSA-N 379.445 3.731 0 40 GHAB CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1 20046743 IEDPHBJCNMDGDT-UHFFFAOYSA-N 390.324 3.776 0 40 GHAB O=C(OCc1noc(-c2ccccc2Cl)n1)c1ccccc1N1CCOCC1 64196924 NTFVVXPLZIUSIG-UHFFFAOYSA-N 399.834 3.584 0 40 GHAB COc1ccc(NC(=S)NC(=O)c2ccccc2)cc1-c1ccc(CO)o1 20151471 FAZNTWZIPNIMBC-UHFFFAOYSA-N 382.441 3.574 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)c1 20143325 IWVRCRYZTPLLTP-UHFFFAOYSA-N 383.400 3.717 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 6158813 VLFUGPOZRDMSNU-UHFFFAOYSA-N 376.331 3.604 0 40 GHAB CC(=O)Nc1ccc(OC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 39982776 DSGBHHRUHBSSFW-UHFFFAOYSA-N 390.424 3.931 0 40 GHAB O=C(OCc1cc(=O)n2ccsc2n1)c1cc2c(s1)-c1ccccc1OC2 5304492 HBFBIPJKDMHYEN-UHFFFAOYSA-N 396.449 3.734 0 40 GHAB CCOC(=O)N1CCN(C(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 22525087 IIABZHSWGYVPJI-UHFFFAOYSA-N 391.320 3.527 0 40 GHAB NC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccs1 14423053 YNXIEUKWOGSOAV-CYBMUJFWSA-N 387.461 3.528 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(F)c3)n2C)cc1 4736272 ZQFMPDXZDUTXAL-GFCCVEGCSA-N 386.452 3.749 0 40 GHAB COc1cc(-c2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc(OC)c1OC 9185542 YFISXXKINCGMIP-UHFFFAOYSA-N 393.399 3.579 0 40 GHAB C[C@H]1Sc2ccc(C(=O)NCc3ccc(CN4CCCC4)cc3)cc2NC1=O 15140075 PJWGQFYWGCLVCN-OAHLLOKOSA-N 395.528 3.645 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C 408608744 POFWKRHLVWUQTM-UHFFFAOYSA-N 387.288 3.739 0 40 GHAB O=C(COc1ccccc1Br)NCCOc1ccc(Cl)cc1 7400046 SWFWEYSRZNBUDL-UHFFFAOYSA-N 384.657 3.677 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1F 8006297 WRHYOTZXUYUABF-LBPRGKRZSA-N 385.420 3.837 0 40 GHAB Cc1nc([C@@H]2CCCCCN2C(=O)C2CCN(Cc3ccccc3)CC2)no1 96001131 BWNQZHFHOKQAFD-FQEVSTJZSA-N 382.508 3.734 0 40 GHAB COc1ccc(N2C[C@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)cc1OC 9318217 ZVZYVYIVAUWKSM-CYBMUJFWSA-N 399.834 3.928 0 40 GHAB O=C(Nc1cccnc1N1CCOCC1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 72023152 LWIUWNKUZFYYEU-LSDHHAIUSA-N 391.393 3.679 0 40 GHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(Br)c1 9709617 NULBHRHXDCQBEI-UHFFFAOYSA-N 384.237 3.690 0 40 GHAB Cn1c(=O)n(C)c2cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)ccc21 409190172 LWPSNTRGKLQWKL-MHWRWJLKSA-N 399.859 3.771 0 40 GHAB Cc1ccc(S(=O)(=O)NCCN(C)[C@H](C)c2ccc(OC(F)F)cc2)cc1 72305243 NJTKGNGCBLJNOR-OAHLLOKOSA-N 398.475 3.568 0 40 GHAB O=C(/C=C/c1cccs1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1 306138119 RPQRHZJZKXMSOZ-CSHXORCISA-N 379.485 3.586 0 40 GHAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O 409010082 JLCYAECFZQWXOJ-OTIXFSKASA-N 386.267 3.998 0 40 GHAB Cc1nn(C)c(C)c1[C@H](C)c1nc([C@H]2CN(Cc3ccccc3)[C@@H](C)CO2)no1 547227256 GVKOHHQHQFXKEA-YZVOILCLSA-N 395.507 3.534 0 40 GHAB COc1ccc(OCC(=O)NCc2ccccc2CN2CCCC[C@@H]2C)cc1 36390778 SLQGTVYXPIEOFU-SFHVURJKSA-N 382.504 3.765 0 40 GHAB Cc1ccc(C)c(N2C(SCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32640582 HDBDLERKGLNQEI-HKUYNNGSSA-N 386.542 3.578 0 40 GHAB CC[C@@H]1CCCCN1C(=O)CCn1c(=O)cc(C(F)F)c2c(C)n(CC)nc21 36621554 PPJSOYQAWIXEGC-CQSZACIVSA-N 394.466 3.645 0 40 GHAB Cc1cc2oc(=O)cc(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c2cc1Cl 36632750 ADLODLYFZNNLGR-GOEBONIOSA-N 396.874 3.536 0 40 GHAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1nnnn1C1CCCCC1)CCO3 72392262 FEAWSXBBYSZXFN-UHFFFAOYSA-N 392.507 3.738 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccc(Cn3ccnc3C)cc2)ccc1Cl 30938945 NDSNGWLRJLQWBR-UHFFFAOYSA-N 383.835 3.932 0 40 GHAB COc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c(N)c1 70462895 CWAZELHTLRKJCD-UHFFFAOYSA-N 379.254 3.836 0 40 GHAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38854366 DUWGANSQZOLMHU-GOSISDBHSA-N 397.494 3.815 0 40 GHAB Cc1ccccc1CNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 33088664 ZSJKTRITDIFXDX-UHFFFAOYSA-N 392.480 3.731 0 40 GHAB CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccc2Br)CC1 49999402 ZPGVXZGSAPUNOK-UHFFFAOYSA-N 383.286 3.578 0 40 GHAB COc1ccccc1[C@@H]1CC(=O)N(c2ccc(F)cc2)c2c1sc(=O)n2C 49545443 ITQRJOWTNGZRBM-HNNXBMFYSA-N 384.432 3.795 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccccc1CN1CCCC1 224791328 UEGAPEGTIOLYNG-FQEVSTJZSA-N 382.504 3.765 0 40 GHAB CCOCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OCC 224698781 WVXSHUKYEYBIEC-UHFFFAOYSA-N 382.504 3.580 0 40 GHAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc21 223065810 IGHCEGBQZMPBPY-UHFFFAOYSA-N 399.299 3.958 0 40 GHAB Cc1cc(C)cc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c1 225950631 KSKKYFSQRVYUOH-QGZVFWFLSA-N 380.897 3.576 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCSc3ccccc3)C2)nc1 40145923 PHGWFMUQIJUKTO-KRWDZBQOSA-N 383.517 3.750 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)N[C@H](C)CC)cc1 225000483 FPIWSAJKUNCKML-RTBURBONSA-N 396.531 3.960 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 223014846 ZVYUNMDPCLIFSE-HXUWFJFHSA-N 384.545 3.782 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@]2(C[C@H](CN3CCCC3)CO2)C1 96228364 GFIPCKSLOXAKQB-YKSBVNFPSA-N 393.531 3.584 0 40 GHAB Cc1cnc(NC(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)nc1-c1ccccc1 578300878 OBBKHIHHKMHNLW-APIJFGDWSA-N 377.366 3.746 0 40 GHAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]2(C[C@@H](CNc3ccccn3)CO2)C1 96075745 KNVNPAUFSTVXNR-GAJHUEQPSA-N 390.487 3.686 0 40 GHAB Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCC[C@H](n2cc(CO)nn2)C1 582648683 KVRGFRMCQHQIJR-FQEVSTJZSA-N 391.475 3.615 0 40 GHAB O=C(c1cccc2[nH]ccc12)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211846 CPRPGWIAKGHKLC-UHFFFAOYSA-N 377.473 3.582 0 40 GHAB Cc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)nc2)nc(-c2c(C)noc2C)n1 257286622 PMGVPOAKQSERKV-KRWDZBQOSA-N 393.447 3.525 0 40 GHAB C[C@@]12C[C@H]3CN(C(=O)c4ccnc(Cc5ccccc5)c4)[C@@H]1CCCC[C@@H]2N3 257338285 YWSVRIOEGCOOLF-YCSHWKNNSA-N 375.516 3.808 0 40 GHAB CO[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)C1 626375372 ROWWNUAEEVSYAR-ACRUOGEOSA-N 393.487 3.963 0 40 GHAB COCc1cc(NC(=O)c2nn(C(C)(C)C)cc2Br)ccc1OC 634480659 VUGSQLUIFPBKQV-UHFFFAOYSA-N 396.285 3.808 0 40 GHAB O=C(c1noc(-c2cccc(F)c2)n1)N1CCC[C@@H]1c1cccc2c1OCCO2 608012661 OQRFWHFUZWALSS-MRXNPFEDSA-N 395.390 3.624 0 40 GHAB O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1ccc2c(c1)OCCO2 390827233 VHBHGYWKCRCVRF-KRWDZBQOSA-N 393.511 3.649 0 40 GHAB COC(=O)c1ccc(C(=O)NCC2(Sc3ccccc3)CCOCC2)cc1 96331044 LTASRZCESZZNTE-UHFFFAOYSA-N 385.485 3.545 0 40 GHAB O=C(/C=C/c1ccco1)N1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 585292311 KOGOKUCQUQJEEM-NFAHFFEMSA-N 395.488 3.764 0 40 GHAB Cc1ccc(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)cc1C 585111408 SLBVIBWIBCRACE-OAQYLSRUSA-N 375.472 3.592 0 40 GHAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)/C=C/c3ccccc3)[C@@H]1CCC[C@@H](O)[C@@H]2O 585262189 SMWISVNQKNKZKH-HLRITCCJSA-N 391.511 3.954 0 40 GHAB O=C(NCc1ccccc1CO)c1ccc(-c2ccc3c(c2)OCCO3)s1 66049611 YWGWHESTNKHMBD-UHFFFAOYSA-N 381.453 3.609 0 40 GHAB Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@H](O)C4)cc3C)cc2c1 72396192 LFODPIJOTUMYFY-FQEVSTJZSA-N 377.488 3.718 0 40 GHAB CCOc1c(I)cc(Br)cc1/C=C/C(=O)O 13747792 QLERZKROGIUDST-ONEGZZNKSA-N 397.006 3.550 0 40 GHAB CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1/C(=O)N(C)C(=S)N1C 4048104 VOEQZELMUDAURI-OGLSOCIUSA-N 389.546 3.821 0 40 GHAB CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)/C=C/c1ccccc1 6013111 OPGMWIXBYKQOLI-ZHACJKMWSA-N 387.457 3.682 0 40 GHAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1 8083781 KJUWVWITTCQVDE-PDGQHHTCSA-N 396.468 3.933 0 40 GHAB CCn1c([C@H](CC(C)C)NC(=O)Cc2ccccc2OC)nc2cccnc21 12114139 GDKCHSROBHFKDN-SFHVURJKSA-N 380.492 3.906 0 40 GHAB CSc1ncc(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)cn1 12193175 RTQNUBGXUGCOIY-UHFFFAOYSA-N 381.413 3.972 0 40 GHAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(N2CCOCC2)nc1 12627551 SSKFHKDWEJPPNK-UHFFFAOYSA-N 399.454 3.509 0 40 GHAB CCC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 12932909 WPJRMXOXSXNAAS-FQEVSTJZSA-N 386.517 3.994 0 40 GHAB Cc1ccc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 17198128 VBCYUUQLIJQUCY-OAQYLSRUSA-N 379.485 3.571 0 40 GHAB NCCn1nc([C@@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)c2cccnc21 19346708 FVIISZHQVTXGCO-CQSZACIVSA-N 390.318 3.686 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Cn2cc(Cl)cn2)c(OC)c1 19457324 XMSQPCKFFXAHMM-CXAGYDPISA-N 377.872 3.554 0 40 GHAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4ccncc4)CC3)noc2n1 19569099 BIDVQOHZKSECEF-UHFFFAOYSA-N 390.365 3.965 0 40 GHAB COc1ccc(OC)c(-c2n[nH]c(C(=O)Nc3ccc4ncn(C)c4c3)c2C)c1 19718069 DXMXWUXRKHIDOE-UHFFFAOYSA-N 391.431 3.541 0 40 GHAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)C(C)C)nc1C 19755623 ZJYXVDXIXKXOGH-SFHVURJKSA-N 396.491 3.756 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3C[C@@H]2C)o1 19829568 IGLUSVZGXFJMHJ-ZDUSSCGKSA-N 381.457 3.815 0 40 GHAB COc1ccc([C@H]2CN(C)[C@@H]3CCCN(C(=O)CCc4ccccc4F)[C@H]23)cc1 19590780 AIKCNNVFHCGXJY-KIFXHHALSA-N 396.506 3.856 0 40 GHAB NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1F 1514155 IIIIFXKQMCGJRB-PGMHBOJBSA-N 379.160 3.805 0 40 GHAB Cn1cnnc1SCc1cc(=O)c(OC(=O)c2ccc(C(C)(C)C)cc2)co1 4518855 MPALDOPCLXTMHN-UHFFFAOYSA-N 399.472 3.577 0 40 GHAB Cc1ncc(CO)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)c(=N)oc12 8661727 BNVHIMDGHVWBQW-UHFFFAOYSA-N 378.215 3.667 0 40 GHAB O=C(CCc1csc(NC(=O)c2ccco2)n1)NCCCc1ccccc1 11835273 FVLKTVZTEWRFKJ-UHFFFAOYSA-N 383.473 3.670 0 40 GHAB Cc1c(C(=O)OCc2ccc(F)cc2)nnn1-c1ccc(Br)cc1 12415553 BEIHHOBBYOKDCK-UHFFFAOYSA-N 390.212 3.834 0 40 GHAB Cc1cc(NC(=O)Cc2ccc3c(c2)OCO3)n(-c2nc3ccccc3s2)n1 16851046 OCEURPDSCJAGMO-UHFFFAOYSA-N 392.440 3.700 0 40 GHAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2cccc(Cl)c2)C1 2055750749 VSJZMOLLOOEDNR-NRFANRHFSA-N 385.895 3.515 0 40 GHAB O=C(Nc1cccc(Br)c1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4373880 YETLYBVKTMZXNZ-CQSZACIVSA-N 392.228 3.515 0 40 GHAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)cc1 8843850 KXMUTWLIMONUSH-LJQANCHMSA-N 381.501 3.744 0 40 GHAB Cc1ccn(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)/c(=N/C2CCCCC2)c1 40050508 DOGXSUOODMBVHZ-XFBWPPDYSA-N 381.451 3.935 0 40 GHAB COc1ccc(CCC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1OC 31002414 ZRULJVTZUHNVNW-UHFFFAOYSA-N 381.472 3.758 0 40 GHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C)ccc1OCc1ccncc1 28923078 NWGIXEGSTHZOAG-NRFANRHFSA-N 375.428 3.866 0 40 GHAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1cc(Cl)ccc1-n1cncn1 7990546 OCQBBCFPHSSHDY-MRXNPFEDSA-N 387.896 3.758 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc2c(c1)CCC2 7988471 QHJMRPMQLWPDDO-UHFFFAOYSA-N 395.528 3.799 0 40 GHAB O=C(CN1CCCCC1)Nc1ccc2c(c1)[C@@H]1Oc3ccccc3C[C@@H]1CO2 1647772 JLVARTZWOQVSMC-UZUQRXQVSA-N 378.472 3.796 0 40 GHAB COc1cc(-c2noc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2)cc(OC)c1OC 20718259 CDYJVRBFQFJSJC-UHFFFAOYSA-N 396.378 3.959 0 40 GHAB CCOc1ccccc1OCC(=O)Nc1cccc(I)c1 6285069 SILZHMDXNQBIQE-UHFFFAOYSA-N 397.212 3.707 0 40 GHAB CCOc1cc(C(=O)O)cc(Br)c1OCc1ccc(C(=O)O)cc1 7604099 LQZACXMFCRDQEV-UHFFFAOYSA-N 395.205 3.823 0 40 GHAB CCOc1ccccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)CC1=O 7881528 DUQKFMYTPKWKPE-AEFFLSMTSA-N 395.455 3.561 0 40 GHAB Cc1ccccc1CN1CCN(C(=O)NCc2nc3ccccc3s2)CC1 29676827 NBRSBGICMDKFLB-UHFFFAOYSA-N 380.517 3.632 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1 10113027 UQWUPGQMHLZYAR-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB O=C(CCCNC(=O)C1CC1)N[C@@H](c1ccc(Cl)cc1)c1cccs1 41137134 VZEWOWIXLGRKOS-SFHVURJKSA-N 376.909 3.914 0 40 GHAB C[C@@H](NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 8041159 GQBVZCXRVHGSOV-OAHLLOKOSA-N 394.924 3.764 0 40 GHAB CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1ccc(-n2cccn2)nc1 32802674 MLPVASWITPVNHV-UHFFFAOYSA-N 390.274 3.916 0 40 GHAB CC1(C)C[C@@H]2C[C@](C)(CN2S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)C1 103490297 UFIYWUYYLFQPKA-ASSNKEHSSA-N 384.501 3.995 0 40 GHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 32913124 KVFBGLCNVCBVLE-ZFWWWQNUSA-N 376.863 3.705 0 40 GHAB CCNc1c(NC(=O)Nc2ccsc2C(=O)OC)c(=O)oc2ccccc12 101094488 NCXOENKJKDTRAI-UHFFFAOYSA-N 387.417 3.717 0 40 GHAB Cc1cccc(OCc2nnc(SCc3nc4ccsc4c(=O)[nH]3)o2)c1 2637566 WWKSCBMXGDBSAX-UHFFFAOYSA-N 386.458 3.547 0 40 GHAB CCOc1ccc(-n2c(SCC(=O)O)nnc2-c2ccccc2OC)cc1 2651884 UOFMBYRNJOHUFQ-UHFFFAOYSA-N 385.445 3.518 0 40 GHAB C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)C1 100116016 ACHZRINMTVBHMB-FMQYXTRESA-N 381.520 3.623 0 40 GHAB CCOc1ncccc1C(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 22298786 YMLQDFBHLBQFKV-HNNXBMFYSA-N 396.516 3.609 0 40 GHAB O=C(CSc1nncs1)/N=c1/sccn1Cc1cccc2ccccc12 103401289 JSEVKUIFPMUYIA-LVZFUZTISA-N 398.538 3.822 0 40 GHAB CCCc1ccc([C@@H](C)NC(=O)CN2CCN(Cc3cccc(F)c3)CC2)cc1 22923163 LMWKNFHRYNLACC-LJQANCHMSA-N 397.538 3.773 0 40 GHAB CCCOc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 2801915 ATSXTPFQAGOKOC-FXAWDEMLSA-N 380.444 3.654 0 40 GHAB biogenic,in-vitro O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 23018614 KWCNODDJRZFNNT-CQSZACIVSA-N 396.434 3.936 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(C)o1 23261613 OBBHLWZCFDDJOQ-LLVKDONJSA-N 388.283 3.789 0 40 GHAB CCn1c(SCc2nc(-c3ccccc3OC)no2)nnc1-c1ccco1 23220281 MKFXXOGQZUKMAI-UHFFFAOYSA-N 383.433 3.909 0 40 GHAB CC[C@H](C(=O)N[C@H](C)c1cc(C)ccc1C)N(c1ccccc1)S(C)(=O)=O 113945780 QZZQCRZFELWMBJ-YLJYHZDGSA-N 388.533 3.725 0 40 GHAB CCCN(CC1CC1)C(=O)COC(=O)c1csc(NCc2ccccc2)n1 23588071 KUNTUHPLBZCSBR-UHFFFAOYSA-N 387.505 3.561 0 40 GHAB COCc1nn2c(O)cc([C@H](C)Cn3nccc3C)nc2c1-c1ccc(C)cc1 100775668 AOHAMVIVRYEQMJ-OAHLLOKOSA-N 391.475 3.865 0 40 GHAB Cc1nc2c3ccccc3nc(SCC(=O)Nc3c(C)cccc3C)n2n1 2969390 PUMIUEDGEODSBQ-UHFFFAOYSA-N 377.473 3.934 0 40 GHAB COc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1OC1CCCC1 24505639 KYRZYUAVIRALPQ-UHFFFAOYSA-N 393.443 3.516 0 40 GHAB Cc1cc(C(=O)NCC(=O)N[C@H]2CCSc3ccc(Cl)cc32)c(C)o1 55390917 NQMWIISBHQEZAJ-HNNXBMFYSA-N 378.881 3.633 0 40 GHAB CCCC[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1 57669616 KLSYYVFICGKTPW-HXUWFJFHSA-N 386.519 3.981 0 40 GHAB CCn1cc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)c2cc(OC)ccc21 22236068 MSFGKOXZFYOVSP-HXUWFJFHSA-N 376.456 3.837 0 40 GHAB C[C@@]12CC[C@H](C[C@@H]1C(=O)N1CCCCCC1)[C@]1(C2)NC(=O)c2ccccc2N1 100116029 MBKJQAGOJLTKNZ-VIRUWPMXSA-N 381.520 3.767 0 40 GHAB CN1CCCN(C(=O)CCCOc2ccccc2)c2nc3ccccc3nc21 26366278 SIRCVZFOCSADQD-UHFFFAOYSA-N 376.460 3.662 0 40 GHAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O 57427176 AZGZXTVGPAGAHZ-UHFFFAOYSA-N 399.516 3.787 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCC1(c2ccccc2)CCC1 10221387 FJKIEOPLYGYSJX-HXUWFJFHSA-N 382.479 3.818 0 40 GHAB CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCC1CCC1 58367875 UPTLFQSSWWMERN-UHFFFAOYSA-N 391.265 3.849 0 40 GHAB O=C(c1cncc(Br)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10544440 KQSDCHWSBIIWOP-LBPRGKRZSA-N 385.265 3.740 0 40 GHAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CC(=O)N(Cc2ccco2)C1 28437087 OWTYMWNKQGONLJ-OAHLLOKOSA-N 398.846 3.858 0 40 GHAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)C2=O 3273639 GSLTTYHVRMTKJG-QMHKHESXSA-N 391.471 3.793 0 40 GHAB COc1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)c(OC)cc1Cl 3354598 DBTHQFCIRJNAEX-UHFFFAOYSA-N 381.759 3.575 0 40 GHAB Cc1cc(F)ccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12776661 CVQHZOXORBHIQU-UHFFFAOYSA-N 385.464 3.813 0 40 GHAB Cc1cc(C)c2nc(NC(=O)CSc3nc4nc(C)cc(C)n4n3)sc2c1 8263859 RUKAYZVLACBTHX-UHFFFAOYSA-N 398.517 3.698 0 40 GHAB Cc1ccc(C)c(OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1C 3473730 BRNOHBRNEJYYIW-UHFFFAOYSA-N 381.881 3.735 0 40 GHAB C[C@@H]1CCc2nc3ccccc3c(C(=O)O[C@H](C)C(=O)NC3CCCC3)c2C1 3451142 WEKHTMWFUVEHKH-HUUCEWRRSA-N 380.488 3.964 0 40 GHAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(Cl)nc1 3423012 FOOHVYPYYBWNQL-UHFFFAOYSA-N 399.834 3.618 0 40 GHAB C[C@@H](Nc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 13038663 ARYCNOHYGOMLDA-CQSZACIVSA-N 393.409 3.981 0 40 GHAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccccc1-c1ccccc1 13096254 XFDWKOZRUAHOQS-OALUTQOASA-N 376.456 3.857 0 40 GHAB COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2ccccc23)cc1 4090854 HXEBBNTUZKJLOZ-QUZZAMIASA-N 393.487 3.506 0 40 GHAB biogenic O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(Cl)cc1Cl 49550692 BJHKXLRHWCEYIU-UHFFFAOYSA-N 380.256 3.917 0 40 GHAB CCCOc1ccc(C(NC(=O)CC(C)C)NC(=O)CC(C)C)cc1OC 4185784 VTMBXXASYDUPEZ-UHFFFAOYSA-N 378.513 3.807 0 40 GHAB C[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H](C)O1 17324764 IJDGOKJRTGWZHX-KNVOCYPGSA-N 383.105 3.523 0 40 GHAB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3OC)n2)cc1 6171244 PJNNRBLIVDYFPJ-LBPRGKRZSA-N 384.461 3.608 0 40 GHAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 5262949 UOGGLUYYULQLKJ-CYBMUJFWSA-N 397.456 3.729 0 40 GHAB CCc1ccc2c(CSc3nnnn3-c3ccccc3C)cc(=O)oc2c1 5352831 ZSFRSWQVSDJNEP-UHFFFAOYSA-N 378.457 3.932 0 40 GHAB CC(C)[C@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)OCCCO2 14160868 NPBFPQLHEQKPGR-NRFANRHFSA-N 379.460 3.571 0 40 GHAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 6510718 QKKFESMOSRUFDH-HSZRJFAPSA-N 387.439 3.554 0 40 GHAB CC(C)OC(=O)C[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccccc1 14404784 FIDFQHRHHSNMEJ-LJQANCHMSA-N 394.475 3.825 0 40 GHAB Cc1c(N2C(=O)[C@H](C)S[C@@H]2c2ccccc2)c(=O)n(-c2ccccc2)n1C 8715619 QKWGWRNFIYSVPV-YCRPNKLZSA-N 379.485 3.652 0 40 GHAB CC(=O)Nc1ccc(SCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 6905580 NQLDUBYIADOFKB-UHFFFAOYSA-N 384.501 3.991 0 40 GHAB COC(=O)Nc1ccc(OC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1 67202702 FHUQHMVCWAGEDH-HNNXBMFYSA-N 378.425 3.560 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NC(=S)Nc2cccc(C)c2)c1 7167834 NSXXXJJJANTHNB-UHFFFAOYSA-N 377.535 3.834 0 40 GHAB O=Cc1cc(Br)c(Sc2nnc3c(n2)[nH]c2ccccc23)o1 408555546 HDTGVVRNPRFYSA-UHFFFAOYSA-N 375.207 3.825 0 40 GHAB COc1ccc([C@@H](CNC(=O)CN2CCCC2)c2c[nH]c3ccccc23)cc1 7340307 XTMDIGDJKHNVPF-HXUWFJFHSA-N 377.488 3.520 0 40 GHAB COCc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)oc2ccccc12 7598500 JBJSXIXIAFOCEK-UHFFFAOYSA-N 391.427 3.629 0 40 GHAB CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 409411948 OCYYWMRCPCLQCQ-UHFFFAOYSA-N 380.897 3.979 0 40 GHAB CC(C)(CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)c1cccc(F)c1 89761726 MTCQSVHIUIDKFH-NSHDSACASA-N 383.389 3.767 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(NS(=O)(=O)c2cccs2)cc1 9858339 MZTLGWQIVSZPBZ-UHFFFAOYSA-N 398.469 3.678 0 40 GHAB Cc1cc(C[S@](=O)[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)on1 84124421 ZMIXQCNJVSKQNY-UVJXUPGXSA-N 394.802 3.931 0 40 GHAB CCO[C@@H]1CCCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 72289630 OZRFGNWKWBOUPL-RTWAWAEBSA-N 387.568 3.670 0 40 GHAB Cc1nn(CN2CCN(Cc3ccc(-c4ccccc4)s3)CC2)c(=S)n1C 97029971 CIDJNSQZCVLZEZ-UHFFFAOYSA-N 399.589 3.763 0 40 GHAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 97164535 LNSMBXOPSPEUOB-GFCCVEGCSA-N 385.464 3.541 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCc1ccccc1Br 97160175 PKDXUGXLYQGAIF-OAHLLOKOSA-N 397.313 3.507 0 40 GHAB COc1ccc2[nH]cc(C3=CCN(CC(=O)N(C)Cc4ccsc4)CC3)c2c1 95356905 UYLNBVKTYZUWHL-UHFFFAOYSA-N 395.528 3.986 0 40 GHAB COc1cc(CNC(=O)c2cnc(C(C)(C)C)s2)cc(Br)c1O 95348671 UDQUEJJTILPUQS-UHFFFAOYSA-N 399.310 3.847 0 40 GHAB COC(=O)c1sc(N(CCCO)Cc2cccc(Cl)c2)nc1Cl 95457985 JNGGDYBGBFFXPV-UHFFFAOYSA-N 375.277 3.626 0 40 GHAB COc1ccc(Br)cc1/C=C1\NC(=O)N(C2CCCCC2)C1=O 409084526 VMCHIQLUQWNXBQ-UVTDQMKNSA-N 379.254 3.683 0 40 GHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2CN(Cc3ccccc3F)C[C@@H]21 306138559 SAVKSTMRTRPJMA-NQIIRXRSSA-N 383.444 3.841 0 40 GHAB Cc1cccc(-c2nnc3n2C[C@H](C(=O)NC[C@H]2[C@H]4c5ccccc5C[C@H]42)CC3)c1 516393300 WLMOBBWMBLIXIS-RJSMDTJLSA-N 398.510 3.518 0 40 GHAB CC(C)n1ccc2c1CN(C(=O)Cc1ccccn1)Cc1cn(CC3CC3)nc1-2 306133340 MITALOQTBKZJKL-UHFFFAOYSA-N 389.503 3.822 0 40 GHAB CCOc1ccc(-c2nc(-c3cccc(OCC(=O)NC(C)C)c3)no2)cc1 33327420 MANZQOKUODXNIV-UHFFFAOYSA-N 381.432 3.706 0 40 GHAB COc1cccc2cc(C(=O)Nc3ccc4c(c3)CN(C(=O)C3CC3)CC4)oc12 38712987 NCSSMTBBXBWNDQ-UHFFFAOYSA-N 390.439 3.988 0 40 GHAB O=C(O)[C@@H](c1ccc(F)cc1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 565255475 SIUCSUXQZLTCKW-IAGOWNOFSA-N 399.340 3.924 0 40 GHAB COc1ccc(Sc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 66088665 DFYNTCWGLIZHTD-UHFFFAOYSA-N 396.468 3.643 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c(C)c1 216291160 NTLUPZXCYMIPME-UHFFFAOYSA-N 380.444 3.546 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 222800305 OMSJXYVWLOKCBZ-QZTJIDSGSA-N 383.908 3.913 0 40 GHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C)c(OC)cc2C)c1 224399227 LZRJBJCBBWZMBG-UHFFFAOYSA-N 377.462 3.598 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 224987190 UEKNIKUVRYICTL-UHFFFAOYSA-N 390.867 3.512 0 40 GHAB CCCCc1ccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 225806057 ILFRAPLMOWDXHO-UHFFFAOYSA-N 392.496 3.569 0 40 GHAB Cc1nccn1-c1ccccc1CNC(=O)COc1cccc2c1CCCC2 224647962 YQAYBEITWARGMN-UHFFFAOYSA-N 375.472 3.755 0 40 GHAB COc1ccc2c(ccn2CC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1 46576025 XGUMKWHHKODUKK-UHFFFAOYSA-N 377.419 3.855 0 40 GHAB biogenic COc1ccc(-n2cccc2CNC(=O)c2ccc3[nH]c(Cl)nc3c2)cc1 225985193 NZJGAAUZEAGMKF-UHFFFAOYSA-N 380.835 3.946 0 40 GHAB COc1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 225772567 KFEJQXVOEFYSEW-ZHZULCJRSA-N 392.480 3.844 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)cc1 223593361 RYJKIHYVGCTDLI-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB CN(Cc1ccccc1)[C@@H]1COC2(CCN(C(=O)Cc3ccsc3)CC2)C1 96221022 APLSRFZLSGFFNH-FQEVSTJZSA-N 384.545 3.573 0 40 GHAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccn2C)C12CCCC2 96344060 LTJGLFBMNRVGDI-OAQYLSRUSA-N 393.531 3.994 0 40 GHAB Cc1cc(C)nc(N2CCO[C@@H](c3cccc(Nc4nc(C)cs4)n3)C2)n1 257243537 IHLAPGBWAUAIID-MRXNPFEDSA-N 382.493 3.575 0 40 GHAB CCN(c1ccccc1)[C@H]1COC2(CCN(C(=O)c3ccnn3C(C)C)CC2)C1 257243878 IIYPDFMBDCHXHY-HXUWFJFHSA-N 396.535 3.754 0 40 GHAB COC[C@H](C)NC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 257197912 NBSSMPRIVKVWKE-SFHVURJKSA-N 397.515 3.853 0 40 GHAB CN(C)c1cc([C@@H]2CCCN2C(=O)C2(Cc3ccccc3)CCOCC2)ccn1 257242784 IECYMHXFDXEITK-NRFANRHFSA-N 393.531 3.851 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)N1c2ccc(Br)cc2C[C@H]1C 260737090 JTQHJBOEGNDDCV-GFCCVEGCSA-N 396.306 3.906 0 40 GHAB O=C(Nc1ccc(OC(F)F)c2cccnc12)c1ccnn1C1CCOCC1 613616136 AQQBNKGDAIYQCG-UHFFFAOYSA-N 388.374 3.637 0 40 GHAB COc1ccc2c(c1)OC[C@H](C(=O)NCc1ccccc1OC1CCCC1)C2 622528060 CETSATGVVJIRAJ-GOSISDBHSA-N 381.472 3.884 0 40 GHAB CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(C(F)(F)F)cnc1O 635583082 QHGIYNATAHLVND-LKFCYVNXSA-N 388.773 3.965 0 40 GHAB O=C(O)C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 563582871 JTBRFBXYUMJZHP-JTQLQIEISA-N 376.787 3.703 0 40 GHAB OCCN1CCC(c2cccc(Nc3ncc(CC(F)(F)F)s3)n2)CC1 585263101 KANMUQOSHAGVQG-UHFFFAOYSA-N 386.443 3.558 0 40 GHAB Cc1ccc(NC(=O)NCc2ccc3occc3c2)cc1C(=O)N1CCOCC1 585101422 KZTRPCFMRDFRKF-UHFFFAOYSA-N 393.443 3.535 0 40 GHAB C[C@]1(CNC(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)CC1(F)F 666058520 WFNMZOQZGHRKKE-GOSISDBHSA-N 394.443 3.827 0 40 GHAB Cn1ncc(Cl)c1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615159086 SSQHZICGLJPZCD-HXUWFJFHSA-N 390.890 3.876 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4C[C@@H]4C)C3)cc2n1 12239396 MKIZYXVGALRIHG-XQQFMLRXSA-N 380.414 3.843 0 40 GHAB Cc1cccc(-n2[nH]c3ncc4c(c3c2=O)C[C@@H](c2cccs2)CC4=O)c1 13611297 NRFNKVHPWJNNSE-CYBMUJFWSA-N 375.453 3.996 0 40 GHAB CC[C@@H](C(=O)NC(C(C)C)C(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716318 KIHXVROAOBSBNX-SFHVURJKSA-N 382.570 3.645 0 40 GHAB COc1ccc(CCc2nnc3sc(-c4ccccc4OC)nn23)cc1OC 13725176 GZVUXCIHOHSHGQ-UHFFFAOYSA-N 396.472 3.664 0 40 GHAB CCc1nc2c(n1C(C)=O)SC(c1ccc3c(c1)CCCC3)=NN2C(C)=O 16777690 CVCGESYNGKZHCC-UHFFFAOYSA-N 382.489 3.805 0 40 GHAB O=C(CCc1nc(-c2cccnc2)no1)NCC1(c2cccc(F)c2)CCCC1 19293643 OQFYBNDAELUEED-UHFFFAOYSA-N 394.450 3.832 0 40 GHAB O=C(CCc1nc(-c2ccncc2)no1)NCC1(c2ccccc2F)CCCC1 19347945 FFNFXQNLUHQYPS-UHFFFAOYSA-N 394.450 3.832 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)C[C@@H](C)n2nnc3ccccc32)c(OC)c1 19455255 YZLMXRVXEZSDFX-DNVCBOLYSA-N 394.475 3.763 0 40 GHAB CC(=O)N1CCC(c2ccc(C(=O)N(C)C[C@H](C)c3ccccc3)cn2)CC1 19708072 WMWBAMFUYAPTSX-KRWDZBQOSA-N 379.504 3.683 0 40 GHAB COc1ccc(C2(C(=O)N3CC[C@@H]4NC(=O)CCCC[C@H]43)CCCCC2)cc1 19713311 GFQAESRQRMXKDD-VQTJNVASSA-N 384.520 3.557 0 40 GHAB Cc1c(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)sc2nc[nH]c(=O)c12 19717818 OLQLCVMNDYYTHV-GFCCVEGCSA-N 395.488 3.715 0 40 GHAB Nc1cc(Br)c(OC(F)(F)F)cc1I 307527526 JLOWWJWWZNZOPL-UHFFFAOYSA-N 381.917 3.535 0 40 GHAB CC(C)c1ccc(S(=O)(=O)N[C@H](C(=O)O)C23CC4CC(CC(C4)C2)C3)cc1 3886932 NVHWFSUIZAQYPP-KXDMBUCYSA-N 391.533 3.758 0 40 GHAB in-vitro O=C(CCc1ccc(C(F)(F)F)cc1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 245173974 YESUVVPBBBOGLY-MRXNPFEDSA-N 378.398 3.581 0 40 GHAB O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 6786794 FVLJONVFCYWXAG-UHFFFAOYSA-N 386.451 3.586 0 40 GHAB Cc1c(C(=O)OCc2ccc(C(F)(F)F)cc2)sc2ncn(C)c(=O)c12 25808092 MNZWFGKHZSYYNO-UHFFFAOYSA-N 382.363 3.679 0 40 GHAB CCc1ccc(N2C[C@@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2CCCC3)cc1 2966311 SOUYCOIOGGOWSG-HSZRJFAPSA-N 381.496 3.526 0 40 GHAB O=C(c1cccn(Cc2c(F)cccc2Cl)c1=O)N1CCc2ccccc21 5269589 DBMOXQFHGMAGPN-UHFFFAOYSA-N 382.822 3.892 0 40 GHAB CCOC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CCC2 6327550 IRABCNISJXWGJW-UHFFFAOYSA-N 383.425 3.772 0 40 GHAB CC[C@H](C(=O)Nc1cccc(-c2ccc(S(C)(=O)=O)nn2)c1)c1ccccc1 15880797 QXSPYWUPDWCPJZ-SFHVURJKSA-N 395.484 3.679 0 40 GHAB COc1ccc(-c2noc(Cn3nc(-c4ccc(C)c(C)c4)ccc3=O)n2)cc1 16845673 FHILBWYBWCFFIQ-UHFFFAOYSA-N 388.427 3.634 0 40 GHAB COc1ccc(CC(=O)N(CCn2cccn2)c2nc3ccccc3s2)cc1 23144699 OTUMJDLHGNGKMB-UHFFFAOYSA-N 392.484 3.777 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccnc(N2CCCCC2)n1 206726747 XOMZHECILNAOFJ-UHFFFAOYSA-N 393.516 3.829 0 40 GHAB O=S(=O)(NCc1ccc([C@@H](O)c2ccccc2)s1)c1ccc(Cl)cc1 207971118 RQZSYTZURYXXNF-SFHVURJKSA-N 393.917 3.962 0 40 GHAB O=C(Cc1ccccc1Cl)NCC1CCN(C(=O)Oc2ccccc2)CC1 43983371 HGKILYWLSOIUKK-UHFFFAOYSA-N 386.879 3.910 0 40 GHAB CCOC(=O)c1c(NCc2cccc(OC)c2)c2cccc(Cl)c2[nH]c1=O 49001507 IGXNOSWFEOICPS-UHFFFAOYSA-N 386.835 3.979 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccc2nsnc2c1 585147969 KYZGBRJQNKACFW-CYBMUJFWSA-N 387.511 3.945 0 40 GHAB Cc1cc(C)cc(N2C[C@H](c3nc(-c4ccc(N(C)C)cc4)no3)CC2=O)c1 7572327 BIHBQVXBDPMVMX-QGZVFWFLSA-N 376.460 3.940 0 40 GHAB Cc1oc(C(=O)Nc2ccccc2C(C)(C)C)cc1S(=O)(=O)N1CCCC1 40128586 FDFBNCVTUPKFSV-UHFFFAOYSA-N 390.505 3.922 0 40 GHAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc2ccccc12 11460417 QDYSMAMNCXQIKV-AWEZNQCLSA-N 386.407 3.865 0 40 GHAB COc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(Cl)c2)cc1 1980694 UQJURQQTHJSDMG-UHFFFAOYSA-N 378.881 3.967 0 40 GHAB CC(C)c1nc2oc3c(NCCCN4CCOCC4)ncnc3c2c2c1CCC2 20533256 CZOIHDROCMLRDB-UHFFFAOYSA-N 395.507 3.517 0 40 GHAB CC[C@@H](C)C(=O)O[C@H]1CCC=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21 3872143 AJLFOPYRIVGYMJ-FIZLCYLLSA-N 390.520 3.950 0 40 GHAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1OCC(=O)O 4023709 VFYWHWBRNUUDOI-UHFFFAOYSA-N 382.368 3.605 0 40 GHAB biogenic Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@H](c4ccco4)[C@H]3C2=O)cc1 4166033 GNDIHGXIRKDVMJ-NJYVYQBISA-N 388.423 3.948 0 40 GHAB CNC(=O)c1nc[nH]c1/N=c1\scc(-c2ccc(C)cc2)n1-c1ccccc1 101388439 UYPWKOWRJOWYES-DAFNUICNSA-N 389.484 3.829 0 40 GHAB O=C1N=C(c2ccccc2)N/C1=C\c1cn(-c2ccccc2)nc1-c1cccnc1 6450022 HAFGSYIREGWDPS-STZFKDTASA-N 391.434 3.852 0 40 GHAB CC(=O)c1ccccc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 6790403 CCSFDQUBJSKYQP-UHFFFAOYSA-N 383.407 3.841 0 40 GHAB CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1ccc(F)c(Cl)c1 6808729 SREYBRZSAKSZHS-UHFFFAOYSA-N 391.805 3.624 0 40 GHAB COc1ccc(OC)c(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1 6999912 VKHUQSJOBQHIOX-UHFFFAOYSA-N 376.840 3.506 0 40 GHAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)N1CCCC1 2627860 NGKRJZCJYFYNTK-UHFFFAOYSA-N 382.464 3.788 0 40 GHAB C[C@H](C(=O)Nn1c(S)nc2ccccc2c1=O)c1c(Cl)cccc1Cl 102229070 CAQNTPAOBOOTFR-VIFPVBQESA-N 394.283 3.866 0 40 GHAB CC[C@@H](Oc1ccccc1F)C(=O)NCCCc1ccc(OC)c(OC)c1 175445118 RQEAGIKRFYXHCC-QGZVFWFLSA-N 375.440 3.749 0 40 GHAB C[C@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccccn1 7979446 FQWZWGHONOQJAQ-KRWDZBQOSA-N 386.455 3.888 0 40 GHAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100183050 QXUAOCLDHANCHP-QWFCFKBJSA-N 398.528 3.571 0 40 GHAB CCOc1ccc(-c2nc(-c3ccccc3OCC(=O)N3CCCC3)no2)cc1 33325107 UNFRIYNMRUKSCX-UHFFFAOYSA-N 393.443 3.804 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](C)c1ccccc1 686657 PXNXMJMGKFMQEY-MRXNPFEDSA-N 380.517 3.858 0 40 GHAB CCCn1c(=O)n(C[C@@H](O)COc2cccc3ccccc23)c2ccccc21 58611285 ZPDNQYWQQMDGES-GOSISDBHSA-N 376.456 3.806 0 40 GHAB Cc1ccc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc1 829631 VVVWKJFETIUREE-DHDCSXOGSA-N 389.192 3.944 0 40 GHAB COc1ccc([C@H](C)NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1OC 20030033 SLOYVKNSOVXFGN-AWEZNQCLSA-N 393.505 3.875 0 40 GHAB CC[C@H](C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 938359 MYBCUHUIWKAMIT-QWHCGFSZSA-N 376.522 3.951 0 40 GHAB CNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)Cc1cccc(Cl)c1Cl 23996050 DFCMSFBMTSZHHJ-MRXNPFEDSA-N 380.275 3.622 0 40 GHAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Oc1ccc(-c2ccccc2)cc1Cl 24042968 MBFFZYGFNDGOGH-UHFFFAOYSA-N 398.846 3.777 0 40 GHAB Cc1cc(C(=O)OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)n1Cc1ccco1 105888650 KCFHBMMZLPQBBC-HYJFEMIMSA-N 398.503 3.844 0 40 GHAB CN1C(=O)N(C)[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1 106570570 SYNNHNSRVKJSLG-GRDNDAEWSA-N 398.406 3.536 0 40 GHAB Cc1c(Cl)cnc(NC(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)c1Cl 102789775 CGEXUFIVGOKXLQ-QWRGUYRKSA-N 399.274 3.574 0 40 GHAB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1ccccn1 59200684 GAZMKGBVEWFVFG-UHFFFAOYSA-N 391.250 3.625 0 40 GHAB Cn1ccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1cccc(OC3CCCC3)c1)C2 100150080 RVWOYEDKEBVXTC-PMACEKPBSA-N 395.547 3.861 0 40 GHAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N[C@@H](c1ccc(Cl)cc1)C1CC1 43717547 UUVAWHXXIDBZSJ-BLLLJJGKSA-N 389.849 3.975 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 43800665 CUAQEEZPVBIGRT-OAQYLSRUSA-N 394.519 3.816 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)CCc1nc2ccccc2s1 3246890 RGZGKDKFXKBGJT-INIZCTEOSA-N 396.512 3.910 0 40 GHAB COc1ccc(CN(C(=O)COc2ccccc2)c2ccccn2)cc1OC 27663713 TXPLAXJISUUUEP-UHFFFAOYSA-N 378.428 3.711 0 40 GHAB CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)O 2103216 GBVFPGPXTHTWFB-QGZVFWFLSA-N 399.443 3.767 0 40 GHAB biogenic Cc1cccc(CN2CCN(C)[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 306133048 MAFMOSHWAUXMMW-HSZRJFAPSA-N 398.514 3.588 0 40 GHAB CC[C@@H](C)c1ccc(S(=O)(=O)N(C)C2CCN(c3ccccn3)CC2)cc1 58316890 RZQOZWPWKPGHNQ-QGZVFWFLSA-N 387.549 3.885 0 40 GHAB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCCCC2)cc1O 10433995 SDWGOKHNXBHAQL-KRWDZBQOSA-N 399.516 3.626 0 40 GHAB CCc1ccc2c(COC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)cc(=O)oc2c1 10951522 JIPOIQROMCTMOZ-LRTDBIEQSA-N 380.396 3.627 0 40 GHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N(C)[C@@H](C)c1ccccc1 12758768 MOWIQMXMZYYHRI-LBPRGKRZSA-N 391.397 3.522 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(C)c1 12864897 SBKDMWCESGQXJT-CQSZACIVSA-N 398.937 3.810 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1C 3480168 DSFPYQLMUJQKMM-UHFFFAOYSA-N 398.381 3.854 0 40 GHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)C(C)(C)C)cc2C1=O 3475525 DNNYQUZHEDINGS-UHFFFAOYSA-N 379.412 3.568 0 40 GHAB CCc1cccc(N2C[C@H](C(=O)Nc3ccc(NC(C)=O)c(C)c3)CC2=O)c1 12927728 XMWNGSRMCSXYEP-QGZVFWFLSA-N 379.460 3.507 0 40 GHAB C[C@H]1C[C@@H](C)CN2c3cc(Cl)ccc3CC3(C(=O)OC(C)(C)OC3=O)[C@H]12 16957443 FYAHIASZIXZWBI-WQGACYEGSA-N 377.868 3.570 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccccc1F 8312830 YJCXXUHUBZZGPP-HXUWFJFHSA-N 395.434 3.976 0 40 GHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(CN2CCCC2=O)cc1 8849424 CAIZAOKONZVMCE-UHFFFAOYSA-N 397.563 3.728 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 17305947 PEFBRQCUWIQJSS-HNNXBMFYSA-N 383.883 3.861 0 40 GHAB COc1ccc(N(C)C(=O)C2CCN(c3ccc(Cl)cn3)CC2)cc1OC 65479159 GYFQWPQFAIUXHU-UHFFFAOYSA-N 389.883 3.632 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nn3cnnc3s2)c1 6457861 PGRNKFXHLFQYGQ-UHFFFAOYSA-N 385.836 3.767 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc2c(c1)OCO2 5430206 FCCNBOMMDNDBDD-UHFFFAOYSA-N 381.457 3.593 0 40 GHAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N1CCc2ccccc21 6581026 ODNDPKKMOIJEAW-UHFFFAOYSA-N 387.464 3.714 0 40 GHAB Cc1nc(C(C)(C)C)sc1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 69778522 KBZHJELZHKNUNI-UHFFFAOYSA-N 381.542 3.832 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1 5510508 MLKCRCNKIWANIW-UHFFFAOYSA-N 381.259 3.642 0 40 GHAB COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F 6610269 TVHRLGXTDOOKID-UHFFFAOYSA-N 394.374 3.670 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)Nc1nc(-c2ccc3c(c2)CCC3)cs1 6882176 XOUMNOSDEJFMET-UHFFFAOYSA-N 391.452 3.845 0 40 GHAB Cc1nc(-c2ccc(CCNC(=O)c3ccc4c(c3)OCCO4)cc2)cs1 15240191 PDRIBIGVVZZHML-UHFFFAOYSA-N 380.469 3.862 0 40 GHAB C[C@@H](OC(=O)c1cc2cc(F)ccc2s1)C(=O)Nc1ccc2c(c1)OCO2 7165674 NBZHFKZXTDCRPB-SNVBAGLBSA-N 387.388 3.953 0 40 GHAB Cc1[nH]c2[nH]n(-c3nc4ccccc4s3)c(=O)c2c(=O)c1Cc1ccccc1 8768191 UXIBRKGTADVLAN-UHFFFAOYSA-N 388.452 3.516 0 40 GHAB O=C(COC(=O)Cc1ccccc1Cl)Nc1cccc(Br)c1 7535560 LIAIXOFBWSIMBJ-UHFFFAOYSA-N 382.641 3.827 0 40 GHAB Cc1cccc(Cc2cnc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)s2)c1 8768051 LTOWAWRTAATYNX-SFHVURJKSA-N 378.453 3.763 0 40 GHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](C)c1ccc2ccccc2c1 16087237 JPZAVUJYOOCRFU-AWEZNQCLSA-N 398.484 3.846 0 40 GHAB Cc1nnnn1-c1ccccc1C(=O)NCCC(c1ccccc1)c1ccccc1 71287902 PNJUUHISPWMCEK-UHFFFAOYSA-N 397.482 3.923 0 40 GHAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)c(C(=O)O)oc2cc1O 19702950 JYKAHHLZKIYWRN-UHFFFAOYSA-N 382.368 3.588 0 40 GHAB biogenic COCCN1C(=O)S/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C1=O 409128754 UESDEBBHZDKKNV-NTEUORMPSA-N 385.869 3.819 0 40 GHAB CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc2ccccc2c1=O 9883494 BVHKGYMMTRCTFU-LJIGWXMPSA-N 387.549 3.838 0 40 GHAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)cn1C 72304391 SFKOPZQMIFZCLS-NSHDSACASA-N 384.354 3.627 0 40 GHAB O=C(CCCOc1ccccc1Cl)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 95432783 UFIAQFWZJKXLOZ-MAUKXSAKSA-N 390.911 3.501 0 40 GHAB CC(=O)c1cccc(NC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1 79059739 QYUWSCVQYQBJRH-FQEVSTJZSA-N 375.469 3.704 0 40 GHAB COC(=O)c1ncccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 89401293 RJZPINJMUOFVQV-UHFFFAOYSA-N 378.384 3.678 0 40 GHAB Cn1cncc1[C@@H](CO)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 1557695480 UNLSFJUKYRGPJZ-QGZVFWFLSA-N 389.377 3.569 0 40 GHAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2nc(-c3ccc[nH]3)cs2)C(C)C)c1 22067310 DVJGJYMOFKUHEM-KRWDZBQOSA-N 382.489 3.840 0 40 GHAB Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)Nc1ccccc1 409410571 OEPZSAPDHRVCDY-BXWFABGCSA-N 384.501 3.714 0 40 GHAB O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(C(=O)c2ccccc2)CC1 408575207 SSVFZYOVEMLNJK-WYMLVPIESA-N 386.451 3.944 0 40 GHAB CN(Cc1nc(O)c2sccc2n1)C(=O)Nc1ncc(C(C)(C)C)s1 546648143 SAWMVXBIRUYMJF-UHFFFAOYSA-N 377.495 3.815 0 40 GHAB O=C(Cc1cccs1)N[C@@H]1CCCC[C@@]12CN(Cc1cccs1)CCO2 306126000 DIOXOTFEKXXPQJ-UYAOXDASSA-N 390.574 3.682 0 40 GHAB COc1ccccc1Oc1nccnc1C1CCN(C(=O)c2cccnc2)CC1 72362082 ZRBKXYRBAYASOW-UHFFFAOYSA-N 390.443 3.692 0 40 GHAB COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1C 38858174 KYSMFNSKBCOEME-QGZVFWFLSA-N 384.451 3.771 0 40 GHAB O=S(=O)(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(F)c(Cl)c1 70640126 MXXALZLDOTWRBU-AWEZNQCLSA-N 397.777 3.510 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnc(N3CCCC3)cc2C)cc1 72218869 BCFMMPQYUFIGMG-HXUWFJFHSA-N 385.533 3.824 0 40 GHAB O=C(N[C@H](CO)Cc1ccc(F)cc1)N[C@H]1CCc2cccc3cccc1c23 1565383026 HCOOFJHFSRFFEF-FPOVZHCZSA-N 378.447 3.869 0 40 GHAB Cc1nc(C)c(-c2nnc(NC(=O)c3ccc(Br)cc3)o2)s1 41097804 NJVAJLNMTJCODQ-UHFFFAOYSA-N 379.239 3.825 0 40 GHAB COc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)c1 136533741 WWRAFPXBYVUGRW-OALUTQOASA-N 378.428 3.627 0 40 GHAB COc1cccc2c1ccn2CCNC(=O)C1(c2ccccc2)CCOCC1 85874796 PRQCWARJFUJFJS-UHFFFAOYSA-N 378.472 3.515 0 40 GHAB biogenic Cc1ccccc1CSCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223839251 OIPRIOAKGJDXCQ-OAHLLOKOSA-N 377.531 3.509 0 40 GHAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)C)ccc1OC 223262425 MHPRWTOZBHQXMB-UHFFFAOYSA-N 377.462 3.796 0 40 GHAB CCSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1 44845854 UZRAZLZMFJKDOM-UHFFFAOYSA-N 378.519 3.837 0 40 GHAB CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220611056 WLNFJTZLMVZJCO-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB O=c1oc2cc(OCCN3CCOCC3)ccc2cc1-c1ccc(Cl)cc1 20573327 WBMIFBPOSCRWGS-UHFFFAOYSA-N 385.847 3.824 0 40 GHAB biogenic NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CC2)CC1 257287389 PPTHGGCRVKYSCV-UHFFFAOYSA-N 380.463 3.539 0 40 GHAB O=C(NCC1(c2ccccc2)CCOCC1)N1CCC[C@H]([C@H]2CCCCO2)C1 660423268 OLVPUMRUDSPLFT-PZJWPPBQSA-N 386.536 3.726 0 40 GHAB O=C(OCc1ccccc1F)[C@@H]1CCO[C@H]1c1cncc(Br)c1 1118474454 IXFOUUWKDDCECC-ZBFHGGJFSA-N 380.213 3.804 0 40 GHAB COc1ccc(-n2ccc(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)n2)cc1 55165776 ZMFXGLLUPPDTLW-UHFFFAOYSA-N 399.454 3.687 0 40 GHAB CN(C(=O)C1CC1)c1ccccc1C(=O)N[C@H]1CCOc2c(Cl)cccc21 56251849 JUVGXAQEMNZOIM-KRWDZBQOSA-N 384.863 3.966 0 40 GHAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)CN1CC[C@H](c2ccccc2)C1 69597252 XLGMAKFXAOFTML-AZUAARDMSA-N 380.536 3.621 0 40 GHAB CN1CCCN(C2=NCCCCCOc3ccccc3Oc3ncccc32)CC1 1615139661 MRTXMVWCNHUKTP-UHFFFAOYSA-N 394.519 3.821 0 40 GHAB O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CC1 12365830 WLCJOHSPEKBAIN-CRAIPNDOSA-N 391.487 3.901 0 40 GHAB CC[C@H](C(=O)NC(C(C)C)C(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O 13712210 NZYXQEJHPOCPSV-MRXNPFEDSA-N 388.961 3.681 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715295 DGNUZFGZWLDGKS-SFHVURJKSA-N 378.469 3.626 0 40 GHAB CCOc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2C)cc1 14086064 IOGJAPAGAJPRCD-HNNXBMFYSA-N 396.516 3.850 0 40 GHAB O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(Cc2c[nH]c3ccccc23)C1 15674917 YXEPTTDEBGXXSY-APWZRJJASA-N 378.407 3.665 0 40 GHAB biogenic,in-vitro Cc1ccc2oc(C(=O)N3CCc4nc(C5CCN(C)CC5)ncc4C3)cc2c1 19221350 DXWIUEBEKOFHJE-UHFFFAOYSA-N 390.487 3.539 0 40 GHAB CCC(=O)N1CCN(CC)C(=O)[C@H](Cc2ccccc2-c2ccc(C)cc2)C1 19498929 VRFUSRVZYWCBDR-OAQYLSRUSA-N 378.516 3.921 0 40 GHAB CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)CC)C1 19503536 BJAKQPDSLHDFBD-XMMPIXPASA-N 393.531 3.836 0 40 GHAB COc1cc(C(=O)Nc2cc(N3CCCCC3)c(C)cc2N)cc(OC)c1OC 226331472 JTKGKACPDVFCIA-UHFFFAOYSA-N 399.491 3.846 0 40 GHAB Cn1nccc1-c1ccc(CNC(=O)CCc2ccc(C(F)(F)F)cc2)o1 1888919558 JSAYWGMWGQVVLU-UHFFFAOYSA-N 377.366 3.948 0 40 GHAB O=C(NCc1ccccc1)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 18091863 WRHHHNGWTQOTDL-UHFFFAOYSA-N 388.870 3.577 0 40 GHAB O=C(CCSc1ccccc1)NC[C@H](c1ccco1)N1CCSCC1 244975249 IIAIAXQRPTWVGX-QGZVFWFLSA-N 376.547 3.668 0 40 GHAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3cc(F)ccc3F)C2)cc1C 2037912886 BLQVQSGWZPOHFD-OAQYLSRUSA-N 375.415 3.628 0 40 GHAB CC(C)N1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C(N)=O)C1 4087203 UZMNMRKKGLNTLA-UHFFFAOYSA-N 383.926 3.581 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)c2cccs2)n1 9817702 QVQILFNNKZYIPJ-GFCCVEGCSA-N 383.498 3.977 0 40 GHAB O=C(CSc1ccc(NC(=O)c2cccs2)nn1)OCc1ccccc1 11739350 RVIPMKAKUHXTEM-UHFFFAOYSA-N 385.470 3.626 0 40 GHAB COc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1OC 13695337 JHEYVQIEAIOFKD-UHFFFAOYSA-N 396.487 3.820 0 40 GHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc21 17247939 RZCJJYHBQDLZTM-UHFFFAOYSA-N 376.453 3.624 0 40 GHAB Cc1ccc(/C=C/S(=O)(=O)N2CC(c3nc(-c4cccs4)no3)C2)cc1 49483878 RHLUDLKLCJIGKS-CSKARUKUSA-N 387.486 3.506 0 40 GHAB CCCC(=O)Nc1scc2c(C(=O)OCC)nn(-c3ccc(C)cc3)c(=O)c12 4121256 SMYKNWJPKSFMCK-UHFFFAOYSA-N 399.472 3.671 0 40 GHAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 40135157 PEXWGUJULWWFKE-WCQYABFASA-N 380.366 3.691 0 40 GHAB C[C@@H](NC(=O)C[C@H]1CCCO1)c1cccc(NC(=O)Cc2ccccc2F)c1 40142419 LXTBIMAKUWYSHX-DNVCBOLYSA-N 384.451 3.753 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 687723 MKIVDJQCWHNCQO-UHFFFAOYSA-N 379.309 3.526 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2N2CCOCC2)cc1 16424484 FETGTMKHFCGSTQ-SFHVURJKSA-N 381.520 3.545 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2Br)o1 905500 QPRPSTMPYFIXFF-LLVKDONJSA-N 396.310 3.992 0 40 GHAB CCc1ccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccncc2)cc1 1328555 AJLCXMCGLLWMGQ-UHFFFAOYSA-N 395.532 3.899 0 40 GHAB COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2ccccc2F)cc1 32091457 CTSBTUPJXYKTGJ-QGZVFWFLSA-N 394.406 3.528 0 40 GHAB COc1ccc(OC)c(NC(=O)CNc2ccc(C)cc2Br)c1 11622770 YNUHDXBPZSTMHQ-UHFFFAOYSA-N 379.254 3.825 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)CSc1nccc(-c2ccc(Cl)cc2)n1 4967881 UDDFWOAOWTTZOZ-UHFFFAOYSA-N 387.896 3.878 0 40 GHAB Cc1cc(C)nc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2ccccc2)n1 6679378 HCEBVAWNPLAJQB-YOEHRIQHSA-N 379.489 3.751 0 40 GHAB CC[C@H](CO)NC(=S)N=P(c1ccccc1)(N(CC)CC)N(CC)CC 6859899 UAVNWVURRAFXFB-QGZVFWFLSA-N 398.557 3.672 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 7872065 PNNNRHIJSCDGMO-CQSZACIVSA-N 378.469 3.742 0 40 GHAB CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 10324643 KWHZRKKGYBXSSL-AWEZNQCLSA-N 386.517 3.774 0 40 GHAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cccc(CN2CCCC2=O)c1 21588253 KIAJJSOMKUFXRC-UHFFFAOYSA-N 392.484 3.504 0 40 GHAB CC(C)(C)c1noc(CCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)n1 46696079 WGZDJXQJCOFWGJ-UHFFFAOYSA-N 381.480 3.582 0 40 GHAB Cc1c(C(=O)N(C)C)sc2ncn3nc([C@@H]4C[C@H]4c4ccccc4)nc3c12 2791555 PHJOPWRSMOLXJM-UONOGXRCSA-N 377.473 3.620 0 40 GHAB COc1ccccc1[C@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)N(C)C 22679105 FTCNCCMDLNUYMI-FQEVSTJZSA-N 384.520 3.791 0 40 GHAB Cc1cc(C)cc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)c1 876829 LMMHLLPEICIKPH-APPAOHSRSA-N 392.455 3.896 0 40 GHAB CCCn1nc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)ccc1=O 23011519 VOKNNNVWHHLSEZ-UHFFFAOYSA-N 391.431 3.550 0 40 GHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104678956 SZFDPJXWBDBUPO-GQGQLFGLSA-N 387.549 3.898 0 40 GHAB Cc1cccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1C 113966079 IYIRLQWBSKNRGP-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB Cc1cccc(-c2nc(CC(=O)Nc3ccccc3SCC(N)=O)cs2)c1 24839623 RQTQXVMCRHNIJS-UHFFFAOYSA-N 397.525 3.877 0 40 GHAB CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 89694257 DYZNAWBUNSSBAU-QGZVFWFLSA-N 398.459 3.532 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCC3)c2)cc1C 12548539 GMCIHMIYKGKOAA-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB Cc1c(C(=O)NCC2(N3CCN(C)CC3)CCCCC2)oc2ccc(F)cc12 27581948 JDCXAVAQABWEAZ-UHFFFAOYSA-N 387.499 3.560 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1C 10241554 RYAYNAPQGUHRJA-CYBMUJFWSA-N 394.876 3.789 0 40 GHAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](CCc3ccccc3)N2C(=O)CN1C1CC1 2126162 BQZPCEFDIHEESC-VXKWHMMOSA-N 399.494 3.600 0 40 GHAB biogenic CC[C@@H](CNCc1csc(-c2ncccn2)n1)N1CCc2ccccc2C1 58289733 ABPUEFMRZSGJSV-IBGZPJMESA-N 379.533 3.527 0 40 GHAB COCc1c(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)oc2ccccc12 3170477 SCCKGPIBOYYDOU-CQSZACIVSA-N 379.412 3.714 0 40 GHAB NC(=O)[C@@H](OC(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccccc1 10669206 MDSYJUPLBFGUKB-KRWDZBQOSA-N 386.860 3.776 0 40 GHAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cccnc1Cl 3386279 QYIKZUMSZWYYIV-UHFFFAOYSA-N 399.907 3.983 0 40 GHAB Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)cc1F 3399221 DCQHZQATYOQSRF-FNORWQNLSA-N 382.185 3.685 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)cc1 3378513 NRCPMUUDYCQTON-UHFFFAOYSA-N 397.456 3.533 0 40 GHAB COc1ccc2cc(CN(C)C(=O)CSc3nnc4ccccn34)ccc2c1 8528354 GYMMSIJLLJUSRY-UHFFFAOYSA-N 392.484 3.642 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nc2ccsc2c1=O 12897103 JJRPQSMRPRQCKE-NSHDSACASA-N 389.502 3.606 0 40 GHAB CC(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)c1 8259357 LBAQVDOEQWZJTF-SNVBAGLBSA-N 382.388 3.716 0 40 GHAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c(C)n1C1CC1 8230097 PFRKDIOVABBAHR-QHCPKHFHSA-N 393.487 3.566 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)CC(=O)N1CCCc2cccc(F)c21 12977541 JUNBVXWLSHHJIT-UHFFFAOYSA-N 397.494 3.764 0 40 GHAB Cc1sc2ncnc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)c2c1C 3563257 BIOHIVQXTRHICV-UHFFFAOYSA-N 385.470 3.614 0 40 GHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1nc(CN2CCCCCC2)cs1 13006581 VBMUUKYOWLVDKD-UHFFFAOYSA-N 396.520 3.661 0 40 GHAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2ccc(F)cc2s1 8316288 KTGLVKLLTLELCQ-SECBINFHSA-N 377.828 3.846 0 40 GHAB CCOc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccnn1C1CCCC1)C(C)C 8345625 GZPIHFPNUDMYLA-HXUWFJFHSA-N 398.507 3.790 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(C(=S)NC1CC1)CC2 13689797 DOXYVLIUPAHRQG-HXUWFJFHSA-N 386.492 3.827 0 40 GHAB C[C@H](OC(=O)c1ccccn1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 5060176 BKMDWNWRXCENEA-JTQLQIEISA-N 389.383 3.667 0 40 GHAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)N[C@@H]1CCCc2ccccc21 4251949 KYWGUCNSQLZNME-DNVCBOLYSA-N 392.528 3.938 0 40 GHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 113971179 VLIIVTHRZJFGJB-HXUWFJFHSA-N 393.487 3.897 0 40 GHAB CCCCNS(=O)(=O)c1ccc2c(c1)nc(SCC(C)=O)n2CCCC 6167938 QHEYVWYWKRTFEU-UHFFFAOYSA-N 397.566 3.596 0 40 GHAB C[C@H](C(=O)NCc1cccc(Cl)c1)n1c(S)nnc1-c1cccs1 65567660 BYPZMSJJTSHPGM-SNVBAGLBSA-N 378.910 3.826 0 40 GHAB O=c1c2c3c(sc2ncn1C[C@@H](O)COc1cccc2ccccc12)CCC3 14185740 OUVQOUQTFSTVIB-OAHLLOKOSA-N 392.480 3.540 0 40 GHAB O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccco1 4554816 WXDOMPSLJIRPKH-UHFFFAOYSA-N 397.847 3.794 0 40 GHAB CN(CC(=O)Oc1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 6545606 LORGDEVPEAMWAT-UHFFFAOYSA-N 389.860 3.719 0 40 GHAB O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)S1 4695521 PPGWVCJAWPEZQZ-OVCLIPMQSA-N 389.816 3.941 0 40 GHAB O=C(CCn1nnc2ccccc21)OCC(=O)c1ccc(-c2ccccc2)cc1 4740717 FCYTXMWQHPWXTN-UHFFFAOYSA-N 385.423 3.915 0 40 GHAB C[C@@H](Sc1nnc(N)s1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 5636753 GHNSJFDVQOCNIY-RNFRBKRXSA-N 377.322 3.785 0 40 GHAB COc1ccccc1C(=O)NCC(=O)NCCc1c(C)cc(C(C)(C)C)cc1C 14940575 CAQCJGZMLMAWPO-UHFFFAOYSA-N 396.531 3.698 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1OC 6881395 YTENXPGJFGDITG-UHFFFAOYSA-N 389.395 3.543 0 40 GHAB COc1cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc(Cl)c1OC 6862699 JUWHLFVXEUXLRK-MRXNPFEDSA-N 392.883 3.907 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)c3ccccc3)nnc12 6910399 IYIJVIYXZILWSB-AWEZNQCLSA-N 392.484 3.818 0 40 GHAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc(Cl)cc2)cc1 67198586 DRNHWPLDKIPIKO-UHFFFAOYSA-N 383.835 3.519 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 7474196 AMDFGNNFZFZLON-CQSZACIVSA-N 390.361 3.900 0 40 GHAB Cc1cccc2sc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(F)cc4)C3)nc12 9667468 YZPULHWEMYAIFC-HNNXBMFYSA-N 397.475 3.774 0 40 GHAB CCCCOc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc12 31903881 JSNQMRRSVGVLGY-HOTGVXAUSA-N 377.506 3.817 0 40 GHAB CC[C@H](C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccn(C)n3)nc21 36617069 NVGXNEGZOWHXLU-QMMMGPOBSA-N 383.399 3.844 0 40 GHAB COc1ccc(NC(=O)COc2c(C)n(CCC(C)C)ccc2=O)cc1Cl 524734562 QYDAPIXHPXCZOM-UHFFFAOYSA-N 392.883 3.882 0 40 GHAB Cc1cccc([C@H](C)C(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1 529890176 KXRFTJHYGHLKDG-KRWDZBQOSA-N 397.519 3.857 0 40 GHAB Cc1ccn(-c2ccccc2NC(=O)NCc2ccccc2-c2cnn(C)c2)n1 534007954 GONRIEJLJJHOPD-UHFFFAOYSA-N 386.459 3.903 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 35289591 ZYTVIWAXWICFGC-HNNXBMFYSA-N 387.823 3.704 0 40 GHAB CCOc1ccc(CNC(=O)CCc2ccc(OC)c(OC)c2)cc1OCC 30850667 MGUMNDYHRFRQIY-UHFFFAOYSA-N 387.476 3.750 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccc(F)c(Cl)c1 79485199 AEJJDCZTRIFQQV-INIZCTEOSA-N 397.859 3.971 0 40 GHAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 40057721 NFUSXIOBSHZQNS-SFHVURJKSA-N 398.484 3.852 0 40 GHAB COc1ccccc1OCCc1cc([C@@H]2CCN(Cc3cnc(C)s3)C2)n[nH]1 72371790 GAEKYOULSAINES-MRXNPFEDSA-N 398.532 3.794 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCc1ccc2c(c1)OCCO2 222647993 RBTWUKAMUYYJDR-UHFFFAOYSA-N 399.472 3.551 0 40 GHAB CCOc1ccc(C(=O)N2CCN(C)CC2)cc1COc1ccc(Cl)cc1 224503039 NROYANGRLBXFHS-UHFFFAOYSA-N 388.895 3.705 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 223544696 HSPWABBCTQWCNU-SFHVURJKSA-N 384.545 3.782 0 40 GHAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(=O)OC)c1 49005601 NHYOVFLADJAACQ-UHFFFAOYSA-N 392.459 3.950 0 40 GHAB Cc1cccc(C)c1N(CC(=O)NCc1cccc2ccccc12)S(C)(=O)=O 222840158 CSWIVDCOQQCNNN-UHFFFAOYSA-N 396.512 3.539 0 40 GHAB Cc1cc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)ccc1Br 42646183 HKHAVRYMDQJRFT-CYBMUJFWSA-N 375.266 3.616 0 40 GHAB C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N1CCC(c2ccncn2)CC1 569908649 LXFJHBBQZFDPBI-OAHLLOKOSA-N 395.482 3.628 0 40 GHAB CCOC[C@H]1CN(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CCO1 527636087 VVHDOOBDPSAYEA-WDEREUQCSA-N 379.259 3.640 0 40 GHAB COc1cccc(CNC(=O)CSc2nc3cc(Cl)ccc3n2C)c1 48343804 QJSZNNYQUJMMGM-UHFFFAOYSA-N 375.881 3.644 0 40 GHAB CC[C@@H](C(=O)NCC1=CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 224300153 RJGRLWMKWQZXSQ-KRWDZBQOSA-N 384.929 3.501 0 40 GHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1nc(-c2ccccc2)no1 223268122 BODMJJWFMDOVEI-HNNXBMFYSA-N 377.444 3.699 0 40 GHAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 222913418 MLQXEHAAZLEJJB-FFZOFVMBSA-N 384.549 3.691 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 222385885 CNZNXCWIXRRZSR-GOSISDBHSA-N 396.531 3.835 0 40 GHAB COC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1ccccc1OC(F)(F)F 77200014 VDESTILKWKCLFQ-INIZCTEOSA-N 394.349 3.890 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C 223726595 UTHFQWOYOCTWBI-INIZCTEOSA-N 388.895 3.581 0 40 GHAB O=C(C[C@@H]1CC2(CCN(Cc3nccs3)CC2)Oc2ccccc21)NC1CC1 96079984 VMKQYCPOBNNNTE-MRXNPFEDSA-N 397.544 3.713 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCC2CCN(C(C)C)CC2)[C@@H]1c1ccccc1C 257282281 OTDBXMYZWPNSPY-GGAORHGYSA-N 399.579 3.531 0 40 GHAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3oc(C)nc3C)CC2)on1 257314162 UVOZXVBKGDKSRH-WKILWMFISA-N 397.479 3.692 0 40 GHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 606374605 HFJFZYPHBZMHSQ-CKFHNAJUSA-N 388.464 3.545 0 40 GHAB CC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(C)c(C)c1 260845545 SUEFYOKRXAISJJ-UXHICEINSA-N 388.533 3.503 0 40 GHAB CCCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCC[C@@H](C)C2)n1 260737572 LXLRYVOIUSJSQY-IYBDPMFKSA-N 390.601 3.646 0 40 GHAB C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)C1 623221095 HTDFYUNWYINKME-GXFFZTMASA-N 398.454 3.957 0 40 GHAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NC[C@H]2C(C)(C)C2(F)F)C1 660546438 UANONHNVNFUJOC-WFASDCNBSA-N 387.858 3.518 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccccc2I)cc1 1099939 LJTPVFYJYTXZLF-DHZHZOJOSA-N 379.197 3.952 0 40 GHAB Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C]1CCCNC1 1560411847 WLAGAOWIYYSZCT-UHFFFAOYSA-N 385.451 3.631 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(C(C)C)cc2)cc1 5217345 WXANYWWFPGPZQI-UHFFFAOYSA-N 395.488 3.719 0 40 GHAB Clc1ccc(-n2ncc3c2ncn2c(-c4ccncc4)nnc32)cc1Cl 5246866 LBAGNAYMHGZDIB-UHFFFAOYSA-N 382.214 3.832 0 40 GHAB COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(Cl)c1 5343147 ABGZRJBIKCSMHU-LJQANCHMSA-N 383.835 3.627 0 40 GHAB COc1cc(C(=O)Nc2nnc(Cc3ccccc3)s2)ccc1OC(F)F 5549355 SALRBZGLUJUDAR-UHFFFAOYSA-N 391.399 3.991 0 40 GHAB COCCCNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 12786833 AYOSFHQFNWYSRO-UHFFFAOYSA-N 390.480 3.785 0 40 GHAB C[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 16109048 JZBDQVSHPBXFDH-ZDUSSCGKSA-N 397.949 3.854 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)c2csc(C)c2)on1 19122427 GUOWMZQFWGIRIJ-INIZCTEOSA-N 397.504 3.853 0 40 GHAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccncc2)C1)c1cccs1 19400759 OGCHUPSANHBIES-NQIIRXRSSA-N 392.528 3.921 0 40 GHAB CCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 19499736 SIEPYYDQWWNDHM-LJQANCHMSA-N 396.564 3.791 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Cn2nc(C)c(C)c2C)c(OC)c1 19556770 MQJCPKMGAKOSMV-VBKZILBWSA-N 385.508 3.825 0 40 GHAB COc1ccccc1-c1nnc(NC[C@@H]2CCCO2)nc1-c1ccccc1OC 19571529 UDRXNKHEXHEMRW-HNNXBMFYSA-N 392.459 3.814 0 40 GHAB Cc1nc([C@H]2CCCN2C(=O)[C@H]2CC=CCC2)[nH]c(=O)c1Cc1ccccc1 19579174 JXTWTRFSKZJMIR-AZUAARDMSA-N 377.488 3.689 0 40 GHAB COc1ccccc1OCc1nnc(SCc2nnc(-c3ccccc3)o2)o1 19928388 YVVOPPJXGDKJFE-UHFFFAOYSA-N 396.428 4.000 0 40 GHAB CCc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C)cc1C)S(C)(=O)=O 19934650 HYURLNKVCKZIKU-QGZVFWFLSA-N 388.533 3.509 0 40 GHAB COc1cccc(C(=O)Nc2cc(Br)c3nc(NN)sc3c2)c1 226310811 PQJOZVLIPDWMHB-UHFFFAOYSA-N 393.266 3.605 0 40 GHAB Oc1c2c(nc3cc(C4CC4)nn13)CCN(Cc1ccc(C(F)(F)F)cc1)C2 12667051 WXCUWQIIWWTOLI-UHFFFAOYSA-N 388.393 3.889 0 40 GHAB COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2nc(C3CC3)cn2n1 1888909727 YXCSHMWYISECFQ-UHFFFAOYSA-N 376.338 3.886 0 40 GHAB O=C(/C=C/c1cccs1)N1CCN(Cc2ccc(Br)s2)CC1 23732061 DDTWLTPDTQRFOB-GQCTYLIASA-N 397.363 3.930 0 40 GHAB CCOc1ccc(CN(C)[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1 29249724 VDBMNNLNZNUCJQ-KRWDZBQOSA-N 383.492 3.871 0 40 GHAB CC(C)c1nnc(C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)o1 38904901 LHVUTANDKVTZIR-UHFFFAOYSA-N 389.521 3.640 0 40 GHAB O=C(c1cc(Br)ccc1O)N1CCCN(Cc2ccccc2)CC1 26356438 IIVQDSNLURYZGA-UHFFFAOYSA-N 389.293 3.503 0 40 GHAB COCCCN1CCC[C@@]2(CCCN(C(=O)Nc3ccc(F)c(F)c3)C2)C1 2056223585 UIZVVPRJRDVHIF-HXUWFJFHSA-N 381.467 3.711 0 40 GHAB Cc1ccc(S(=O)(=O)NCCc2sc(-c3cccnc3)nc2C)cc1C 4392357 QUCJWPJNMFHILO-UHFFFAOYSA-N 387.530 3.651 0 40 GHAB Cc1nnc(NC(=O)CSc2ccc(-c3ccc(Cl)cc3)nn2)s1 4355598 YUKCOICYJUJBGU-UHFFFAOYSA-N 377.882 3.688 0 40 GHAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc1 8843854 MHENZUCUXDPNPZ-LJQANCHMSA-N 381.501 3.744 0 40 GHAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CC2 13695357 DYARGLGRBLBQDO-UHFFFAOYSA-N 382.460 3.648 0 40 GHAB CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCN(C)CC3)c(O)n2n1 22577907 LXYYTZOWMMZQSJ-SFHVURJKSA-N 399.564 3.519 0 40 GHAB COc1ccc(CNC(=O)NC[C@@H](c2cccs2)n2nc(C)cc2C)cc1 585368716 GOXSQTIZKOUQPM-SFHVURJKSA-N 384.505 3.659 0 40 GHAB CC(C)(CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)N1CCc2ccccc2C1 25464076 RRNGKSNVBUVUNA-UHFFFAOYSA-N 392.478 3.783 0 40 GHAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1C[C@@H](C)C[C@@H](C)C1 2402919 AXXGZSOONKNHJA-TXEJJXNPSA-N 377.872 3.524 0 40 GHAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(Cn2cncn2)cc1 11213278 UQWOJERWPAJABE-QGZVFWFLSA-N 384.892 3.947 0 40 GHAB Cc1cccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccncc2)c1C 1328549 ANCYZOBTUPCLGK-UHFFFAOYSA-N 395.532 3.953 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2C[C@H]2CCCO2)c1 1364614 DNOPEFDSUIPDKI-QGZVFWFLSA-N 386.521 3.682 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc2ccccc2cc1OC 3560684 SVBUWGVRWZGXJK-UHFFFAOYSA-N 395.411 3.905 0 40 GHAB O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCN(Cc2cccs2)CC1 32103523 AWMCTVXBIHSFIT-GOSISDBHSA-N 389.908 3.826 0 40 GHAB CO[C@@](c1ccccc1)(c1ccc(F)cc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)O 4672038 GUNODGGFSQOICX-UGKGYDQZSA-N 396.418 3.655 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1 6049762 LWFNHFHKSJZBPV-UHFFFAOYSA-N 379.445 3.892 0 40 GHAB COc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 6056820 BUILKJSKWJXCBO-NSHDSACASA-N 398.242 3.951 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(Br)c2)cc1 6275008 VMZKAVUSFDEDOD-UHFFFAOYSA-N 395.278 3.593 0 40 GHAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21 6730401 XBQQGJPWDVUNGD-UHFFFAOYSA-N 394.855 3.579 0 40 GHAB COCc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 7106446 IOMIDUZQPYOBGZ-UHFFFAOYSA-N 378.394 3.814 0 40 GHAB COc1cc(C)c(C[C@@H]2SC(=O)N(c3ccccc3OC)C2=O)cc1OC 8333880 WWJMELBNCWGUQT-SFHVURJKSA-N 387.457 3.832 0 40 GHAB COC(=O)C1CCN(C(=O)CSCc2c(Cl)cccc2Cl)CC1 10541869 OICZAIAJPCHDGP-UHFFFAOYSA-N 376.305 3.638 0 40 GHAB CN(Cc1ccccc1)C[C@H](O)CSc1nnc(C2CC2)n1-c1ccccc1 60368083 SELRWDJCXWOIET-FQEVSTJZSA-N 394.544 3.730 0 40 GHAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(F)c2)cc1 20040836 GFKVVICXTQQNCN-GOSISDBHSA-N 381.469 3.909 0 40 GHAB Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3CCCc4ccccc43)[nH]n2)cc1 12110575 ISIXSVTYAUVUCQ-MRXNPFEDSA-N 389.455 3.910 0 40 GHAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CN2CCOCC2)cc1 22357637 SKNFZOFXQJZFLG-UHFFFAOYSA-N 379.287 3.756 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 104022320 PWRDREKPXBQYHO-YRBFXIGRSA-N 388.489 3.635 0 40 GHAB CC(=O)NCCOc1cccc2c1N(C(=O)c1cc3ccccc3o1)CCC2 12364286 XZQRQXRVYKXFGH-UHFFFAOYSA-N 378.428 3.541 0 40 GHAB C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1 995074 QDGZFGDYNGPTTF-SNVBAGLBSA-N 378.881 3.643 0 40 GHAB Cc1cccc(-n2ncc3c(N4CCN(c5ccccc5F)CC4)ncnc32)c1 1099036 WCHZWSLXQIRPIR-UHFFFAOYSA-N 388.450 3.590 0 40 GHAB COC(=O)[C@@H]1C(=O)[C@@H](Sc2ccc(Cl)cc2)C(=O)C[C@H]1c1ccccc1 1022347 GDCAUZKTHGMTTM-IEZWGBDMSA-N 388.872 3.916 0 40 GHAB CC(C)CCC[C@H](C)NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O 61720082 CGIVLCHVMUMJMU-HNNXBMFYSA-N 375.900 3.895 0 40 GHAB CCN(c1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1)S(=O)(=O)CC 113971845 ZFIVGRCISWMGEA-KRWDZBQOSA-N 388.533 3.970 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC1(c2noc(C)n2)CCCCC1 54531509 LDHWZKQXRFBWEL-LJQANCHMSA-N 394.475 3.618 0 40 GHAB Cc1cccc(CNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 113955658 CWQJGKJOQVEMRP-UHFFFAOYSA-N 394.924 3.511 0 40 GHAB C[C@H](C(=O)c1ccc(Cl)cc1)[C@@]1(O)C(=O)Nc2ccc(Br)cc21 1320410 WZQFPNZOFQTJPS-XLFHBGCDSA-N 394.652 3.761 0 40 GHAB COC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 12578491 SCIHPRIACUMPPP-QHSLDKKCSA-N 375.428 3.726 0 40 GHAB Cc1nc(-c2cccc(N[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)c2)cs1 12555238 FGHCPUZPQLXRTI-CYBMUJFWSA-N 395.484 3.964 0 40 GHAB C[C@H]1Sc2ccc(C(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)cc2NC1=O 57058320 ORJUPNDCZPPNLF-KGLIPLIRSA-N 399.491 3.515 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)CCCOc2ccc(OC)cc2)c1 23685143 RQPUCEYKVIUSDO-UHFFFAOYSA-N 377.824 3.933 0 40 GHAB C[C@@H]1c2cccn2CCN1C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 44356172 YLNROXDQWUUOHT-OAHLLOKOSA-N 387.505 3.813 0 40 GHAB Cc1ccc(NC(=O)c2sc3ncn(C[C@@H]4CCCO4)c(=O)c3c2C)c(C)c1 35673352 ZAAABJNWRXGHAA-HNNXBMFYSA-N 397.500 3.815 0 40 GHAB CCCCOC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 1973035 FLVIEMNHFILWIF-QWRGUYRKSA-N 380.535 3.933 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)s1)C1CC1 10034792 FEGYUFYGTDNHOV-HNNXBMFYSA-N 398.484 3.845 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 10039331 FEZCGCHHKJRUTM-NSHDSACASA-N 387.288 3.607 0 40 GHAB Nc1nc(CSc2nccn2-c2ccccc2)nc(Nc2ccccc2)n1 27488223 PBYLOBZDBDTLKH-UHFFFAOYSA-N 375.461 3.675 0 40 GHAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1nc2c(s1)CCCCC2 44891437 UICXNNYUFBCZJF-HNNXBMFYSA-N 398.488 3.531 0 40 GHAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O 3346803 UYXPVHQKSSOPNW-OAQYLSRUSA-N 399.878 3.753 0 40 GHAB CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)cc1 27748384 KGBVHSRZWJBZIB-FQEVSTJZSA-N 377.440 3.591 0 40 GHAB O=C(Nc1ccc(Cn2cncn2)cc1)c1csc(NCc2ccccc2)n1 44901479 WJKVFVXJSPBWRP-UHFFFAOYSA-N 390.472 3.647 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1Cl 12738861 QHXNLIUWPMYUST-ZDUSSCGKSA-N 375.787 3.502 0 40 GHAB C[C@@H](OC(=O)c1ccc(Cn2cncn2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 10655696 CXGHQWRLFMVJSP-MBAYWBQQSA-N 393.487 3.657 0 40 GHAB COc1ccc([C@H](O)[P@@](=O)(OC(C)C)c2ccc(N(C)C)cc2)c(OC)c1 2361608 HVUKZBBMUHJLSL-HRFSGMKKSA-N 393.420 3.789 0 40 GHAB Cc1ccc(-n2c(S[C@H]3CCCCNC3=O)nnc2-c2ccccn2)c(C)c1 48374246 MSLVNEZAYJCGOI-SFHVURJKSA-N 393.516 3.707 0 40 GHAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 12856342 JHBPFXIYYZOJBQ-YLJYHZDGSA-N 380.488 3.814 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1ccccc1SCC(=O)NC1CC1 12815718 WIPRDQPHVYERSA-UHFFFAOYSA-N 390.892 3.972 0 40 GHAB COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 12820477 SHMFPRBSYMLPOX-GFCCVEGCSA-N 376.840 3.503 0 40 GHAB O=C(/C=C/c1cccc(OCc2ccccc2)c1)NCc1nnc2ccccn12 12993271 BMERLNFJKPWPQA-OUKQBFOZSA-N 384.439 3.638 0 40 GHAB Cc1cc(C(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)c(C)n1C 12925270 WLPCDWOZIGOJRY-UHFFFAOYSA-N 377.469 3.963 0 40 GHAB Cc1ccc(NC(=O)CCCNC(=O)c2ccsc2)c(Br)c1 12982326 CDVPJJCLIJRIJC-UHFFFAOYSA-N 381.295 3.968 0 40 GHAB C/C(Nc1cccc(C(F)(F)F)c1)=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 5025474 QFCCYFVXAJPPCU-PTNGSMBKSA-N 389.333 3.674 0 40 GHAB O=C(CCc1nc(-c2ccccc2)no1)NCc1ccc(CN2CCCC2)cc1 8430581 WDJHXTFXBZJXCA-UHFFFAOYSA-N 390.487 3.581 0 40 GHAB CN(C)c1ccc([P@@](=O)(OCc2ccccc2)[C@H](O)c2cccnc2)cc1 4325424 XPKUQUNAYWMZOV-KDYSTLNUSA-N 382.400 3.959 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 6382999 XLAUYLUKHBKWDC-OAQYLSRUSA-N 396.450 3.769 0 40 GHAB COc1cccc(OC)c1C(=O)O[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 5355965 KDCIPFCQMVQBPT-JTQLQIEISA-N 388.445 3.537 0 40 GHAB CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 5310780 HWDWVHDLRACHNP-CQSZACIVSA-N 391.500 3.979 0 40 GHAB Cc1nnc(CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)o1 5312459 VSKRVHGFBRKYER-UHFFFAOYSA-N 382.420 3.568 0 40 GHAB C[C@H](NC(=O)CSc1nnnn1C1CCCC1)c1cccc2ccccc12 8186949 LEVGKRHRLMKFOV-AWEZNQCLSA-N 381.505 3.911 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc2[nH]c(C)c(C)c2c1 14241550 QAOFQURHZXLZEB-UHFFFAOYSA-N 381.451 3.702 0 40 GHAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 6608427 WEGACXAVQFTBDO-VWLOTQADSA-N 398.462 3.978 0 40 GHAB CC(C)N(C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 6788659 DPFLRAIWDUTJIM-UHFFFAOYSA-N 389.381 3.801 0 40 GHAB CCOc1ccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1 6720889 PHHRTIFKZOPRGC-AWEZNQCLSA-N 396.468 3.774 0 40 GHAB COCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(C)cc1 4816676 VEPDYZRKCHNILC-MOPGFXCFSA-N 396.878 3.954 0 40 GHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc(Cl)c2)n2nnnc2N1 4878803 VQIFQVRSTGZHNV-SFHVURJKSA-N 394.866 3.871 0 40 GHAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3ccc(F)c(F)c3)ccc21 7161540 QOMOMZMLCWKLCU-UHFFFAOYSA-N 397.468 3.652 0 40 GHAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)N(C)C1CCC(CO)CC1 92187738 OQNLCPURYKMTIW-UHFFFAOYSA-N 376.888 3.849 0 40 GHAB Cc1cccc(CC(=O)N2CCOC[C@H]2c2c(C)nn(CC(F)(F)F)c2C)c1 96002539 QBZZLHMYBXHSCR-KRWDZBQOSA-N 395.425 3.513 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1C 408605362 JWQWVIMAWNCUHA-UHFFFAOYSA-N 383.267 3.517 0 40 GHAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCn2ncc(=O)c3ccccc32)o1 72303804 DYKFMHDBPCRSIY-DNVCBOLYSA-N 379.460 3.688 0 40 GHAB COc1ccc(CCNC(=O)c2cn(CC(C)C)c(=O)c3ccccc23)cc1 72325712 HNLSPAFXOUSKIO-UHFFFAOYSA-N 378.472 3.639 0 40 GHAB biogenic O=C(CN1CSCC1=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 95377603 QFGYRMVQPRSGTK-UHFFFAOYSA-N 396.390 3.969 0 40 GHAB Cc1ccc(Cl)cc1N(CC(=O)NCC(C)C)S(=O)(=O)c1ccccc1 22274806 PEQSKCZSNOARJE-UHFFFAOYSA-N 394.924 3.616 0 40 GHAB Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)ccc1NS(=O)(=O)c1ccccc1 408711466 ZKFMCJFMGOKIQQ-FTRWYGJKSA-N 384.501 3.714 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2c(CC)cccc2CC)ccc1OC 408698081 NKBHDCYGHPVEPX-UHFFFAOYSA-N 390.505 3.969 0 40 GHAB O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2ncccc2Cl)CC1 528410127 XXZKMQWHEAMHMM-UHFFFAOYSA-N 380.275 3.945 0 40 GHAB CC[C@H](Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 219584877 UVLWANPEMWRGOB-KRWDZBQOSA-N 399.422 3.700 0 40 GHAB O=C(CSc1ccccc1)/N=c1\[nH]c2ccccc2n1CCN1CCCCC1 32609620 ZSHVWULLQVEHPD-UHFFFAOYSA-N 394.544 3.675 0 40 GHAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 72216192 DFPKZXKJYVRAMF-HXUWFJFHSA-N 381.476 3.782 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)c(OC)c1 35289355 UEYMFSPQOOLLHC-GOSISDBHSA-N 383.448 3.647 0 40 GHAB CCOc1ccc(CNC(=O)c2cccc(N3CCCC3=O)c2)cc1OCC 219211365 FPTSTSVLQYRFFH-UHFFFAOYSA-N 382.460 3.541 0 40 GHAB CCc1ccnc(CNC(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 565642409 DOJNYHLVPWTYTH-INIZCTEOSA-N 385.430 3.535 0 40 GHAB C[C@H]1[C@@H](N2CCCC2)Oc2cc3c(cc2[C@H]1c1ccc2c(c1)OCO2)OCO3 73243045 HUHDVMDXIICRPL-DZKUTHLPSA-N 381.428 3.726 0 40 GHAB COC(=O)c1cn(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)c2ccccc12 222649887 QFQSYAAMJIAMIA-UHFFFAOYSA-N 387.439 3.978 0 40 GHAB CC1(C)CC(O)CC(C)(C)N1C[C@H](O)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 226625153 LVHVVULBVCVEDK-MOOKXKAQSA-N 381.601 3.983 0 40 GHAB CN(C)c1cccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 40108854 IEDRNYOQCHNTAO-UHFFFAOYSA-N 395.484 3.806 0 40 GHAB O=C(NCc1cccnc1N1CCOCC1)Nc1ccc(Cl)cc1Cl 40096582 LKCHQFLDWBUNPB-UHFFFAOYSA-N 381.263 3.547 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 40104391 UQVUTZKUWSFYBN-HNNXBMFYSA-N 376.464 3.818 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3SC)CC2)cc1 223123016 CGYCAAIQAWDXIA-UHFFFAOYSA-N 384.501 3.908 0 40 GHAB CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1 224015571 IGHGQOVTBVMCRV-UHFFFAOYSA-N 390.505 3.723 0 40 GHAB CC(C)NC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCCC1)c1ccccc1O2 96242970 OPMBZMUZSGGVET-GOSISDBHSA-N 399.535 3.518 0 40 GHAB Cc1nccc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n1 257299047 RONGKPZQFLLEFF-SFHVURJKSA-N 382.851 3.995 0 40 GHAB CSc1ccc(Cn2nc(-c3ccc4c(c3)OCCCO4)ccc2=O)cc1 585745783 SUZJCQAODKVNKG-UHFFFAOYSA-N 380.469 3.842 0 40 GHAB COc1cc(C)ccc1CN1CCC(c2cncc(Nc3ncccn3)n2)CC1 257287645 PQXZYTZNXCZLDD-UHFFFAOYSA-N 390.491 3.707 0 40 GHAB C[C@H]1CN(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CC[C@@H]1C(=O)O 630555648 FXMMNOQYDPYZKT-GWCFXTLKSA-N 395.431 3.587 0 40 GHAB CC[C@H](C)[C@@H](CO)NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 606440439 MOTAEKAMWPOIPK-HXPMCKFVSA-N 399.487 3.920 0 40 GHAB biogenic Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1)[C@H](C)C2 664612919 CQVTUEZQFREWRK-SPPOGVHBSA-N 394.519 3.664 0 40 GHAB O=S(=O)(NC1CC1)c1cccc(-c2cncc(OCc3ccccc3)c2)c1 1242042137 LDOKHPMIQPNTJP-UHFFFAOYSA-N 380.469 3.768 0 40 GHAB O=C(CSc1nc2ccccc2s1)Nc1cnn(C[C@@H]2CCCCO2)c1 390827684 JAXORHLUFHAIDP-AWEZNQCLSA-N 388.518 3.793 0 40 GHAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccnc2ccccc12 585111343 PGTDPERPSSQEBP-QFIPXVFZSA-N 398.466 3.523 0 40 GHAB Cc1nnc([C@@H](C)Sc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)o1 48186678 VFEMXPCKTHTIAW-IAQYHMDHSA-N 389.456 3.808 0 40 GHAB CN(C)c1ccc(CCCNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 48709852 DGVAJJPTUPJXRE-UHFFFAOYSA-N 378.476 3.594 0 40 GHAB CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)cc1 56646894 OYTLQMKGNOEKLW-XHSDSOJGSA-N 376.501 3.743 0 40 GHAB CCOc1c(Br)cc(C(=O)OCC(=O)c2ccccc2)cc1OC 5017183 ISFHPKDUNOTIGC-UHFFFAOYSA-N 393.233 3.896 0 40 GHAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@@H](C)c1ccccc1 14484838 PFHLIAXQMHHZAW-OXQOHEQNSA-N 385.483 3.714 0 40 GHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCC2)cc(N(C)C)n1 19240836 JHMWAZPGLVLWKT-LJQANCHMSA-N 377.492 3.532 0 40 GHAB CCCc1cc(-c2cc(O)n3ncc(C(=O)Nc4ccc(C)cc4)c3n2)no1 19525430 AJSNLCOPWTUUJA-UHFFFAOYSA-N 377.404 3.603 0 40 GHAB Cc1noc2nc(C3CCN(C(=O)c4cnn(C)c4C)CC3)cc(C(F)F)c12 19564965 YDAWGUAVUNJQAG-UHFFFAOYSA-N 389.406 3.531 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)C2CC2)C1 19591001 YNGNKSZWNBKHRU-DEOSSOPVSA-N 376.500 3.661 0 40 GHAB C[C@@H]1CCCc2sc3nc(SCC(=O)c4ccccc4)n(N)c(=O)c3c21 19797053 NSOMSLCQGQTZGB-LLVKDONJSA-N 385.514 3.587 0 40 GHAB Cc1ccccc1C1=NO[C@H](C[C@@]2(C(=O)O)CCCN(C(=O)CC(C)C)C2)C1 19236928 ZRLSDNXYNNASJW-JTSKRJEESA-N 386.492 3.618 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CSc3ccc4c(c3)OCCCO4)n2)cc1 6652936 GFNPPQXBZXMSJR-UHFFFAOYSA-N 395.488 3.959 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O 7024022 RALYUHAFKBQRJY-PBHICJAKSA-N 381.501 3.820 0 40 GHAB O=C(NCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1 11072473 IGZPEIFGJVCROK-UHFFFAOYSA-N 393.874 3.867 0 40 GHAB O=C(NCc1cccc2ccccc12)NC[C@@]1(O)CSCc2ccccc21 2087181307 OMHPSCJTJWVHCV-JOCHJYFZSA-N 378.497 3.774 0 40 GHAB COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(C)c(C)c2)cc1OC 800839 QYGROTYZAULFCT-LJQANCHMSA-N 393.530 3.757 0 40 GHAB Cc1ccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)C(C)C)cc1 4035986 OPTVQUMXYNUTTQ-HXUWFJFHSA-N 399.516 3.700 0 40 GHAB CCc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)s1 5329870 XUWPMDLVVFYPCE-UHFFFAOYSA-N 378.519 3.937 0 40 GHAB Cn1c(Cc2ccccc2)nnc1SCCCOc1cccc(C(=O)O)c1 8731727 PZIJDTLSHRCCSR-UHFFFAOYSA-N 383.473 3.665 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)c(N)c1 20154156 VTZZSLLKZNDAGR-UHFFFAOYSA-N 389.883 3.555 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)on2)CC1 27580429 CPHOLXJMQILBCY-UHFFFAOYSA-N 391.471 3.929 0 40 GHAB COc1ccc(CN2C[C@H]3C[C@H](O)[C@@H](n4c(C)nc5ccccc54)C[C@H]3C2)cc1 2332242596 BWQFJICKFCZWNY-PLWWPAAYSA-N 391.515 3.797 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OCO3)c(Br)c1 40140144 OOLSITFQRVXSGH-LLVKDONJSA-N 379.206 3.859 0 40 GHAB Cc1nc2cc(NC(=O)Cc3csc(NC(=O)c4ccoc4C)n3)ccc2o1 40145147 NTFNQAJQQVJKJL-UHFFFAOYSA-N 396.428 3.928 0 40 GHAB CCCn1ccc2cc(NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)ccc21 50533014 STSGJLRVWABDSM-UHFFFAOYSA-N 397.500 3.761 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccccc1F 8312828 YJCXXUHUBZZGPP-FQEVSTJZSA-N 395.434 3.976 0 40 GHAB Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 2621998 NNRAPLQHSYNDGL-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1Cl 6242711 QHYHKAIDCJBOLR-UHFFFAOYSA-N 391.880 3.824 0 40 GHAB CCOc1cc([C@H]2CC(=O)Nc3ncnn32)ccc1OCc1ccccc1Cl 6351104 MKGUPPFUUHLZPC-MRXNPFEDSA-N 398.850 3.841 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 6595770 PNLPJDBNBJFIEJ-CYBMUJFWSA-N 396.896 3.532 0 40 GHAB O=C(NC[C@H]1COc2ccccc2O1)c1cc(Br)ccc1Cl 6941885 WAFSSCLLMWOASO-NSHDSACASA-N 382.641 3.672 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)NCc2ccccc2CN(C)C)c1 6992788 MSTRASGRGZNSIH-UHFFFAOYSA-N 393.487 3.862 0 40 GHAB O=C1N(Cc2ccccc2Cl)c2ccccc2[C@@]12CC(O)=Nc1[nH]ncc12 20738057 CGIZCOUBPJEGQW-HXUWFJFHSA-N 378.819 3.888 0 40 GHAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1C 7360552 UBEWFLDSRBWSGV-UHFFFAOYSA-N 377.462 3.714 0 40 GHAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1ccccc1 108894273 ZFKSPIRJMFXDBK-IAGOWNOFSA-N 386.517 3.741 0 40 GHAB CCN(c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1)S(C)(=O)=O 10009988 UURWUQBYSLBCOR-UHFFFAOYSA-N 398.484 3.643 0 40 GHAB COc1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 8091351 LCZIHNDQGUPXLB-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB O=C(/C=C/c1cccc(Cl)c1Cl)N1CCN(Cc2ccccn2)CC1 32837343 ZQMCNROHSNPCJY-BQYQJAHWSA-N 376.287 3.746 0 40 GHAB CCOc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(C4CC4)C3)cc2)cc1 29600891 WZXOTDOJLLOJQF-HNNXBMFYSA-N 380.444 3.827 0 40 GHAB COc1ccc(-n2cnnc2S[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 2631492 YLFYBBPHNKEQMO-HNNXBMFYSA-N 386.521 3.763 0 40 GHAB Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 50534060 GJUZRYYPMHMAMY-UHFFFAOYSA-N 380.897 3.835 0 40 GHAB O=C(CN1CCN(c2ccccc2)CC1)NCC12CC3C[C@@H](CC[C@H](C3)C1)C2 101024383 AHSLVYVIPOQCRU-NYIYHAGCSA-N 381.564 3.531 0 40 GHAB COC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O 9195636 BCBDIBHXRMMFMX-UHFFFAOYSA-N 390.361 3.569 0 40 GHAB CCCCC1CCC(C(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)CC1 9516515 QGSXLJCEYSYWTD-UHFFFAOYSA-N 396.491 3.621 0 40 GHAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 22413360 NLVWIZYYSITFKR-UHFFFAOYSA-N 393.871 3.924 0 40 GHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 20958775 CFMKFXPKZRYHMH-UHFFFAOYSA-N 389.455 3.592 0 40 GHAB CCn1c2ccccc2c2cc(/C=C/C(=O)N[C@]3(C)CCS(=O)(=O)C3)ccc21 61205273 PHXHOVFJXRIQKU-XBFAEUMISA-N 396.512 3.521 0 40 GHAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCC[C@@H]2c2cccs2)C1=O 23818411 NYPCHHPZHDFKOM-XMSQKQJNSA-N 395.528 3.798 0 40 GHAB C[C@@H](NC(=O)c1ccccc1F)c1cc(O)n2nc(-c3cccs3)cc2n1 100769304 MXTNKILYKKMQCV-LLVKDONJSA-N 382.420 3.794 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC1CCCCC1 24925898 YJLFIIJNSKCBLN-UHFFFAOYSA-N 382.302 3.718 0 40 GHAB Fc1ccc(COc2ccc3ccccc3c2CNCCN2CCOCC2)cc1 23469461 CWFLFJQCVINLKC-UHFFFAOYSA-N 394.490 3.980 0 40 GHAB C[C@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)NC1CCCC1 25041028 JEJUBILWTJPFGF-ZDUSSCGKSA-N 375.396 3.602 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1 20611466 LTYGMORPRMUNJA-UHFFFAOYSA-N 375.266 3.846 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1 104355664 UWWLVXIHRIMBNN-AWEZNQCLSA-N 380.469 3.938 0 40 GHAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccccc2SC(F)F)cc1 34872016 VUFDQSVSOFZLMD-UHFFFAOYSA-N 387.429 3.819 0 40 GHAB O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCc2ccccc21 12508298 OMIBSWVDWPOIAD-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 101999967 VRJYAOSQBPBCPN-XXHBBNRNSA-N 380.878 3.986 0 40 GHAB Cc1cc(C)cc(OCC(=O)N2N=C3CC[C@H](C)C[C@H]3[C@@]2(O)C(F)(F)F)c1 20034261 CGHKVGYQAFNXNA-BKGUAONASA-N 384.398 3.568 0 40 GHAB C[C@H](C(=O)Nc1cccc2ccccc12)N1CCN(c2ccc(O)cc2)CC1 57024295 IRIUKIZAUWQBMG-QGZVFWFLSA-N 375.472 3.695 0 40 GHAB O=C(NCc1cccnc1OC1CCCC1)Nc1nnc(-c2ccccn2)s1 47790570 BIJRDQBZVUQHNU-UHFFFAOYSA-N 396.476 3.638 0 40 GHAB COc1ccc(CN(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1F 26866113 OJISFBQYLDSIKD-UHFFFAOYSA-N 387.411 3.534 0 40 GHAB Cc1nn(C)c(C)c1C(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 57924899 GDQFMEFTHGTCNM-KRWDZBQOSA-N 385.514 3.517 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)OCC(=O)N1CCCc2ccccc21 3243049 NBSTZANVKVJCDC-UHFFFAOYSA-N 394.254 3.895 0 40 GHAB CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)C1 58147555 SMSFENYYNZUSNS-QGZVFWFLSA-N 390.503 3.727 0 40 GHAB Cc1c(C(=O)C(F)(F)F)c2ccccn2c1C1=NS(=O)(=O)c2ccccc21 3218359 MTCBZBPGFWEGQT-UHFFFAOYSA-N 392.358 3.532 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cc(Cl)nc(Cl)c1 3241094 SDKAOSYRJFAJNM-GFCCVEGCSA-N 381.259 3.683 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1nc(-c2cccs2)n(-c2ccccc2)n1 10365306 DKKYHXPUVKEZJQ-UHFFFAOYSA-N 390.424 3.977 0 40 GHAB CC(C)Cc1ccc(CC(=O)Nc2ccccc2CN2CCC[C@H]2C(N)=O)cc1 58306658 ZOISEMDIHINDCT-QFIPXVFZSA-N 393.531 3.516 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 10781230 VOQCNEXPWLDWDV-OAHLLOKOSA-N 386.879 3.528 0 40 GHAB Cc1c(C(=O)N(C)Cc2ccc3c(c2)OCO3)cnn1-c1ccc(Cl)cc1 12728133 YTKPXYKBTTXUOJ-UHFFFAOYSA-N 383.835 3.835 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1OC 12795649 MCHYRAXOQLTUGR-QGZVFWFLSA-N 383.444 3.842 0 40 GHAB O=C(COc1cc(Cl)ccc1Cl)Nc1n[nH]c(-c2ccc(F)cc2)n1 12992877 JHQFTDAPBTULFA-UHFFFAOYSA-N 381.194 3.935 0 40 GHAB COc1ccccc1Nc1c(C(=O)N2CCOCC2)cnc2ccc(F)cc12 64471636 COIUVMVGXIHUAT-UHFFFAOYSA-N 381.407 3.599 0 40 GHAB COc1ccc([C@H](CNC(=O)COc2ccc(C)cc2)N2CCCCC2)cc1 8613293 QWRAQIVPFUDDRJ-QFIPXVFZSA-N 382.504 3.726 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3ccc(Br)s3)o2)cc1 4276075 IOPPOKRESPIWRR-UHFFFAOYSA-N 380.223 3.822 0 40 GHAB COc1cc(-c2nnc(CSc3nc(C)cs3)o2)cc(OC)c1OC 5101372 FYOZCAXVEFQKJW-UHFFFAOYSA-N 379.463 3.820 0 40 GHAB CCCCSc1nc(N2CCNCC2)c2c3c(sc2n1)COC(C)(C)C3 5215745 IZEZGHASHPMDTM-UHFFFAOYSA-N 392.594 3.844 0 40 GHAB CSc1nnc(CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)s1 65522739 WBKCHCUKTAMEGK-AAEUAGOBSA-N 376.334 3.657 0 40 GHAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccc1OCc1ccc(F)cc1 14115438 CTDPWPPCITWIIP-UHFFFAOYSA-N 389.390 3.633 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 20481686 STZVXNHUSKMTGB-OAHLLOKOSA-N 394.924 3.600 0 40 GHAB Brc1ccc([C@@H]2C[C@H](c3ccc4c(c3)OCO4)n3ncnc3N2)cc1 6590496 SZTXTKLHJQQNGD-LSDHHAIUSA-N 399.248 3.916 0 40 GHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCc1c[nH]c2ccccc12 8734458 HIFHOKLDCFXIBM-UHFFFAOYSA-N 388.471 3.776 0 40 GHAB CCOc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCCCO4)[nH]c2c1 5667377 MKFJHXYRLWTWHR-UHFFFAOYSA-N 399.472 3.854 0 40 GHAB CCC[C@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc2c(c1)OCO2 5643158 WKUGGNRMOALCIG-QFYYESIMSA-N 375.450 3.690 0 40 GHAB CCOc1ccc(NC(=O)c2ccc(OC)c(OC)c2OC)cc1OCC 14724894 ZJCQCDQGEKPIDL-UHFFFAOYSA-N 375.421 3.762 0 40 GHAB Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)nnn1Cc1cccc(Cl)c1 4852383 FUKTZSFACMENDH-UHFFFAOYSA-N 380.210 3.607 0 40 GHAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(F)cc3)=NN12 4994934 HNXDNHLICALDNY-HXUWFJFHSA-N 379.435 3.708 0 40 GHAB COc1cccc(-c2cc3c(N4CCN(c5ccccc5)CC4)nccn3n2)c1 67284862 MXQXYUFEDZPMJO-UHFFFAOYSA-N 385.471 3.732 0 40 GHAB Cc1ccc2cc(CN3C(=O)c4ccccc4S3(=O)=O)c(Cl)nc2c1C 7155528 LQNVNMSOLJGXPP-UHFFFAOYSA-N 386.860 3.850 0 40 GHAB CNc1nnc(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)s1 7102536 GNECMIMNMIESDP-GFCCVEGCSA-N 396.925 3.547 0 40 GHAB COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)c1 7388271 PKNOUIOXVXKAIF-UHFFFAOYSA-N 395.503 3.642 0 40 GHAB Cc1nc(-c2ccc(CNC(=O)CCn3c(=O)oc4ccccc43)s2)cs1 7821650 QWENIYHBANJIOE-UHFFFAOYSA-N 399.497 3.794 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2N2CCOCC2)cc1 16424482 FETGTMKHFCGSTQ-GOSISDBHSA-N 381.520 3.545 0 40 GHAB COc1ccc(-c2nc(C(=O)NCCc3cccc(F)c3)cs2)cc1OC 8051402 ZVKVRJPRYOZKFF-UHFFFAOYSA-N 386.448 3.939 0 40 GHAB O=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1ccccc1Br 16737324 MZQQYKUMLJYLMV-UHFFFAOYSA-N 394.212 3.946 0 40 GHAB CS(=O)(=O)c1ccccc1NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 8225036 BFXBWHJQHSLUFJ-UHFFFAOYSA-N 394.452 3.742 0 40 GHAB COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc(F)cc4)C2)OC3)c1 306125878 DENGQRAYJLWPOL-QHCPKHFHSA-N 393.462 3.873 0 40 GHAB COC(=O)[C@H]1CCCCC[C@@H]1NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 97164450 JPKZMJYQGBGQCG-OALUTQOASA-N 392.927 3.656 0 40 GHAB O=C(NOCc1ccccc1)N1CCO[C@H](c2ccc(Br)cc2)C1 84541202 WPVXVIHSVVCHKR-KRWDZBQOSA-N 391.265 3.664 0 40 GHAB C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NCc1ccco1 95441034 NGRGZJJYVURWTA-LRDDRELGSA-N 379.254 3.714 0 40 GHAB Cc1cc(NC(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)ccc1C(N)=O 95958300 URNFQIPLCSMGOO-MRXNPFEDSA-N 394.519 3.648 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1Cl 20030007 LNOZHTQWOCNQTQ-LBPRGKRZSA-N 399.896 3.795 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1occc1COc1ccccc1 22280044 AWYQMYSCVRGQED-UHFFFAOYSA-N 385.441 3.823 0 40 GHAB O=C(CCc1cccc(F)c1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 36398002 SENPCALVOBVNGI-UHFFFAOYSA-N 392.833 3.535 0 40 GHAB COc1ccc(C(=O)Nc2nn(Cc3ccccc3F)cc2Cl)cc1OC 32647660 BECSFCOYTBDUII-UHFFFAOYSA-N 389.814 3.993 0 40 GHAB O[C@H](Cc1ccc(C(F)(F)F)cc1)CN1CC[C@@H](n2ncc3ccccc32)C1 510407833 ULUWBEDNHULEFD-RTBURBONSA-N 389.421 3.906 0 40 GHAB Cc1ccc(C)c(-c2nn(Cc3nnc4n3CCCC4)c(=O)c3ccccc23)c1 514651624 BKLBPHTYHWSUJN-UHFFFAOYSA-N 385.471 3.656 0 40 GHAB COc1cccc(-c2noc(CNC(=O)COc3ccc(C(C)(C)C)cc3)n2)c1 218935155 SKXKRPZGEIFNCA-UHFFFAOYSA-N 395.459 3.738 0 40 GHAB O=C1CC(c2cccc(C3=NN(c4ccccc4)C(=O)C3)c2)=NN1c1ccccc1 3845435 URVZVTCNADEHME-UHFFFAOYSA-N 394.434 3.969 0 40 GHAB biogenic Cc1nnc(-c2cccc(NCc3c[nH]nc3-c3ccc4c(c3)OCO4)c2)n1C 536140960 LKPUVGDMFVDJGY-UHFFFAOYSA-N 388.431 3.521 0 40 GHAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 35039089 BZLYZMREXKUJIT-JXCQQFQQSA-N 395.502 3.548 0 40 GHAB Cc1cccnc1Nc1ccc(C2CCN(C(=O)c3cn(C)nc3C)CC2)nc1 72374241 UHOXMFNOABGEFH-UHFFFAOYSA-N 390.491 3.590 0 40 GHAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)c1C 39751189 SQKNAIYWOVNJNW-UHFFFAOYSA-N 380.488 3.941 0 40 GHAB O=C(c1ccccn1)N1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 72362245 LECWPLJKFTXLNE-HNNXBMFYSA-N 378.407 3.823 0 40 GHAB Cn1cc(C(=O)Nc2cc(Cl)ccc2N2CCCC2=O)c2ccccc2c1=O 79477143 CAOJWMZLMXUPOR-UHFFFAOYSA-N 395.846 3.571 0 40 GHAB O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 72378820 ZFHSPNNVBFXXPA-GOSISDBHSA-N 378.451 3.745 0 40 GHAB CCSc1ccccc1NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220148281 NMUNCJVUOGQXNR-OAHLLOKOSA-N 392.546 3.900 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)cc1 225494817 KXPSNQOMXLLLBN-LJQANCHMSA-N 382.504 3.624 0 40 GHAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1 223558339 DRHQFFHBLCTHQC-FQEVSTJZSA-N 396.531 3.750 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224172470 LSOJPNRBUQYYBT-FQEVSTJZSA-N 396.531 3.872 0 40 GHAB CN1CCN(C(=O)c2ccc(OCc3cccnc3)cc2)[C@H](c2ccccc2)C1 40069893 JIMFSLHIQCMZPE-QHCPKHFHSA-N 387.483 3.790 0 40 GHAB COC(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 40129905 RTLGHHDCAIRRPE-UHFFFAOYSA-N 382.397 3.578 0 40 GHAB Cc1cccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3Cl)n2)c1 223642338 GZWZMBJBGZWHBC-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc(Cl)ccc1Cl 44225778 RSDZJSBLKRXSPF-CHWSQXEVSA-N 387.288 3.730 0 40 GHAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 222758654 UPEVTHWZVBJMRC-MSOLQXFVSA-N 379.441 3.642 0 40 GHAB CCC(CC)C(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3ccc(C)cc3[nH]2)C1 514289563 VAJQACBOJCBQRH-IRXDYDNUSA-N 385.508 3.789 0 40 GHAB biogenic,in-vitro C[C@H]1CCCCN1c1cc(N2CCCCCC2)nc(NC(=S)NC2CC2)n1 226003814 NTKJJTDLECPVEJ-HNNXBMFYSA-N 388.585 3.685 0 40 GHAB O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)Nc1cccc(F)c1 224269037 AOXPIVKXTRZSKE-UHFFFAOYSA-N 392.438 3.586 0 40 GHAB Cc1cc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)ccc1N1CCCC1=O 223885714 UUACLHVAGGWJFC-UHFFFAOYSA-N 392.908 3.596 0 40 GHAB CC1(C)C[C@@H](NC(=O)Cc2ccn(-c3ccccc3)n2)c2ccc(F)cc2O1 532245241 RHHDHUGBZQHSMQ-LJQANCHMSA-N 379.435 3.973 0 40 GHAB O=C(c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1)N1CCCO1 96038156 YNUBDCIVYPJVCG-UHFFFAOYSA-N 376.391 3.709 0 40 GHAB NC(=O)C[C@@]1(COc2ccccc2)CCCN(C(=O)c2ccccc2Cl)C1 257336527 YOVUSACOYDMVMJ-NRFANRHFSA-N 386.879 3.517 0 40 GHAB COc1ncc(CN2CCC[C@H](c3ccc(-c4c(C)noc4C)cn3)C2)cn1 257232521 GLFSMMPXPINWHQ-SFHVURJKSA-N 379.464 3.532 0 40 GHAB Cc1noc(C)c1CCNc1ncncc1-c1nc(-c2ccccc2F)no1 252492959 MYHKJTYYXJBNIN-UHFFFAOYSA-N 380.383 3.592 0 40 GHAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2ccnc(C)n2)o1 257232733 GMDPYFBTFCPBRQ-IBGZPJMESA-N 392.459 3.740 0 40 GHAB CN1C(=O)C[C@@H](C(=O)NCCc2c[nH]c3cc(Cl)ccc23)c2ccccc21 1115913927 ZOTOMQWKOLRQRQ-QGZVFWFLSA-N 381.863 3.630 0 40 GHAB CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NCCCc1c[nH]c2ccc(F)cc12 1229107621 LGKCUUNOIWEJKK-JXFKEZNVSA-N 375.488 3.990 0 40 GHAB Cc1nc(-c2ccc(Br)cc2)n(OCc2ccccc2)c1C(=O)O 575410838 FZUQCCIDGWRTLC-UHFFFAOYSA-N 387.233 3.948 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(Cc3cccnc3)C2)on1 72342923 FWKZXBVHASYNBV-SFHVURJKSA-N 388.475 3.776 0 40 GHAB O=C(CSC1CCCC1)N1CCC(Oc2ncccc2Br)CC1 96096924 ONCFPIDQWDOHPN-UHFFFAOYSA-N 399.354 3.890 0 40 GHAB Cc1ccc(C(=O)NCc2ccccc2Cl)cc1N1CCCCS1(=O)=O 5439681 GWLXBPLVSZEWEC-UHFFFAOYSA-N 392.908 3.508 0 40 GHAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)on1 12118414 BOKJJXALPIEKCQ-INIZCTEOSA-N 380.423 3.528 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)o2)c1 12178848 ABHQNYYANTZSRF-UHFFFAOYSA-N 383.429 3.679 0 40 GHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(OC(F)F)cc1 13000697 ORTXKYBEWSCZCG-UHFFFAOYSA-N 387.386 3.643 0 40 GHAB CC[C@H](C(=O)NC1CCCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712396 AIRPFLUUWFZDRV-QGZVFWFLSA-N 386.945 3.724 0 40 GHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 14022827 SRFRBIUWJDUKTK-NQIIRXRSSA-N 396.487 3.700 0 40 GHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCCc2ccccc21 523049014 XXSWAAYOFFSDFT-PKTZIBPZSA-N 389.499 3.799 0 40 GHAB O=C(NCCc1cnc(C2CC2)nc1)N1CCC2(C=Cc3ccccc3O2)CC1 664528628 AFMFFHBDKOXUEQ-UHFFFAOYSA-N 390.487 3.547 0 40 GHAB Cc1cccc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)c1 4164375 PXQLJQVFUBNRPG-UHFFFAOYSA-N 393.447 3.970 0 40 GHAB CCC(=O)N1N=C(c2cccc(NS(=O)(=O)CC)c2)C[C@H]1c1cccs1 4148360 JUSIKMCTIDKGQN-INIZCTEOSA-N 391.518 3.597 0 40 GHAB CC(=O)c1s/c(=N\c2ccccc2Cl)n(CCCN2CCOCC2)c1C 5299076 IJIOSXVXMBBCIC-VZCXRCSSSA-N 393.940 3.669 0 40 GHAB CCCN1C(=O)CCc2cc(NC(=O)Cc3ccc(OC)c(OC)c3)ccc21 9107243 DFGHOEZUUOLLFY-UHFFFAOYSA-N 382.460 3.574 0 40 GHAB O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)c3ccccc3)cc21 13696211 BPXLDQOLNWSEHN-UHFFFAOYSA-N 384.482 3.752 0 40 GHAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1ccccc1)N1CCN(C)CC1 22031479 LJIDKAQCRUFBLE-OXQOHEQNSA-N 386.927 3.839 0 40 GHAB CCN1CCCc2cc(CCNC(=O)C(=O)Nc3c(C)cc(C)cc3C)ccc21 22732782 FUVHVUJBMMNRAY-UHFFFAOYSA-N 393.531 3.682 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1ccc2c(c1)OCO2 22907035 TVJPOGOZIOYSLV-LJQANCHMSA-N 390.439 3.538 0 40 GHAB O=C1C[C@@H](C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)c2ccccc2N1 40090435 KABFPYYKWOXIQA-OAHLLOKOSA-N 390.361 3.990 0 40 GHAB Cc1cccc(C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)n1 40107858 QXLAVBVZGFOXAQ-KRWDZBQOSA-N 391.393 3.502 0 40 GHAB COc1cc(OC)c(NC(=O)COC(=O)c2ccc(C)c(C)c2)cc1Cl 11359778 INZQZRBHGIUWHP-UHFFFAOYSA-N 377.824 3.770 0 40 GHAB CCOC(=O)[C@](NC(=O)c1ccco1)(Nc1ccc(Cl)cc1)C(F)(F)F 3103587 CQONHQTXAFRPPM-OAHLLOKOSA-N 390.745 3.597 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1N 3338394 KYZYFUDAEIAMSE-UHFFFAOYSA-N 397.504 3.522 0 40 GHAB CCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C 3463510 MOQUITBYGHPKKR-UHFFFAOYSA-N 381.501 3.621 0 40 GHAB COCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1 3527946 VDNSGYZHPHENAR-UHFFFAOYSA-N 382.489 3.631 0 40 GHAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cs2)c1 6680675 XAWDYERAECZRFX-UHFFFAOYSA-N 378.519 3.729 0 40 GHAB Cc1cccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccncc2)c1 6967827 BEZWQEAIOZXRTA-UHFFFAOYSA-N 381.505 3.502 0 40 GHAB Cc1ccc(NC(=O)COC(=O)Cc2cccc(F)c2)c(Br)c1 7492437 GOUAVXVSPLQMGL-UHFFFAOYSA-N 380.213 3.621 0 40 GHAB O=C(NC[C@@H]1CCCO1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604392 JWORVNHBMFGLGC-KRWDZBQOSA-N 382.847 3.738 0 40 GHAB O=C(/C=C/c1cncc(F)c1)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)OCc1ccccc1 101735372 NGAFKUAMKOJCFZ-DNYIJTNNSA-N 394.446 3.508 0 40 GHAB COc1ccc(-c2cc3nc(-c4cc(C(C)C)n[nH]4)cc(O)n3n2)cc1OC 100775722 WRERKBPAWXTFBU-UHFFFAOYSA-N 379.420 3.633 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 2662248 JMYTUCIJNDQZIK-UHFFFAOYSA-N 398.278 3.851 0 40 GHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(-c3nnn[nH]3)cc2)cs1 32843025 YDOBUFOJNXRVFR-UHFFFAOYSA-N 388.456 3.502 0 40 GHAB CC(=O)N[C@H](C(=O)Nc1nc2ccc(Br)cc2s1)C1CCCC1 32843219 CLJFDTHOTNPLMZ-AWEZNQCLSA-N 396.310 3.692 0 40 GHAB CC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 57670554 LRLZJSRNMHGYRR-FQEVSTJZSA-N 396.926 3.648 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)C1 27969851 CZQYPSSFQYZHNQ-ZIAGYGMSSA-N 376.298 3.812 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1C[C@@H]1c1ccccc1 669627 IZTOXBAVGARGNF-SJORKVTESA-N 399.497 3.686 0 40 GHAB Cc1nc(NC(=S)NC(=O)c2ccccc2Cl)ccc1Br 679549 DCPSYLNNBFXPKS-UHFFFAOYSA-N 384.686 3.933 0 40 GHAB CCc1ccc([C@@H](CNC(=O)CCc2nnc(-c3ccccc3)o2)N(C)C)cc1 22684180 MIXLBDRQHYFKED-HXUWFJFHSA-N 392.503 3.651 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1C 23058389 MFVXQVMVHZEXLQ-UHFFFAOYSA-N 395.459 3.969 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)N3CCC[C@@H]3C(=O)Nc3ccccc3)c2C)no1 23184666 JHKARSGKDIRYLI-LJQANCHMSA-N 392.459 3.634 0 40 GHAB Cn1c2ccccc2c2nnc(SCC(=O)N3CCCc4ccccc43)nc21 1062493 WRXDDAIDFRUOCP-UHFFFAOYSA-N 389.484 3.588 0 40 GHAB Cc1cccc(C)c1OC1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 42841463 OZYDUDIZSZPEKK-UHFFFAOYSA-N 382.460 3.785 0 40 GHAB CCCn1nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)ccc1=O 24384639 ZWCWDIJZUXLVOA-INIZCTEOSA-N 382.489 3.630 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3N3CCCC3)CC2=O)cc1 12521718 CIOJTSUBGCXSEZ-GOSISDBHSA-N 377.488 3.841 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1c(-c2ccccc2)nc2ccccn12 12525581 IXFYEBYKBSKCLA-UHFFFAOYSA-N 395.466 3.870 0 40 GHAB Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)CNCc2ccccc2)[C@H]3CCC1 102678339 WDIFWXZIXFTCSR-RDPSFJRHSA-N 389.543 3.793 0 40 GHAB CCc1ccccc1Nc1nnc(SCc2ccco2)n(-n2cccc2)c1=O 28536230 XJOCGNQZEJXAOE-UHFFFAOYSA-N 393.472 3.943 0 40 GHAB Cc1cc2c(c(SCC(=O)c3ccc(Br)cc3)n1)C(=O)OC2 1441326 HPJWKPHOWSZOJC-UHFFFAOYSA-N 378.247 3.798 0 40 GHAB O=C(Nc1nccs1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 3133826 AXUBPJPPRDMNBE-UHFFFAOYSA-N 379.363 3.624 0 40 GHAB O=C(NCCSCc1cccs1)Nc1ccc(C(=O)NC2CC2)cc1 43917999 VXOXOFCYNZQYKO-UHFFFAOYSA-N 375.519 3.695 0 40 GHAB CC(C)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc1 3298770 VBYWPOGPFBAPGA-NRFANRHFSA-N 399.878 3.869 0 40 GHAB O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1cccc2[nH]ccc12 71287707 CBRWSILSMLZLEG-UHFFFAOYSA-N 378.819 3.684 0 40 GHAB CC(=O)c1cccc(NC(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)c1 2091414 FHAJZEIUPXJKJO-UHFFFAOYSA-N 379.412 3.938 0 40 GHAB biogenic COc1ccccc1N1CC[C@@H](CNC(=O)CCc2c[nH]c3ccccc23)C1 58193264 QZRNLBIGZXUYEG-KRWDZBQOSA-N 377.488 3.752 0 40 GHAB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4ccccc4F)C3=O)ccc2c1 8490374 IIGGPNOZKBKEAW-JOCHJYFZSA-N 378.403 3.955 0 40 GHAB O=C(CSc1nc(-c2ccccc2)c[nH]1)N1CCN(c2ccccc2F)CC1 27660461 ZZTWZVUSSQUMNP-UHFFFAOYSA-N 396.491 3.657 0 40 GHAB CC[C@H](C)N1CC(=O)N2[C@@H](c3ccccc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 2115183 NAJIXICRHYUWHO-NQKDMWHGSA-N 387.483 3.651 0 40 GHAB biogenic CN(C)[C@@H](CNC(=O)Nc1cccc(-c2nc(C3CC3)no2)c1)c1ccco1 58307124 RXNJUTPVICLKIW-INIZCTEOSA-N 381.436 3.631 0 40 GHAB CCOc1nc(SCCOc2ccc(Cl)cc2Cl)nc(N(C)C)n1 2268078 AYTQUIGQFYRMRK-UHFFFAOYSA-N 389.308 3.814 0 40 GHAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2C)n1N 2265389 PKHLICZUXZMFTM-UHFFFAOYSA-N 381.505 3.569 0 40 GHAB O=C(Nc1cccc(CNS(=O)(=O)c2cccc(Cl)c2Cl)c1)C1CC1 10668652 ZPORPEIJCKFZKK-UHFFFAOYSA-N 399.299 3.820 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1C 3321687 RUXWWVKZCUMWCY-UHFFFAOYSA-N 383.231 3.936 0 40 GHAB Cc1cccc(N2CCN(C(=O)Nc3ccc(OCC(F)(F)F)nc3)CC2)c1 48200187 OWGXGPCVVPIYNV-UHFFFAOYSA-N 394.397 3.685 0 40 GHAB C[C@@H](OC(=O)c1cccc(N(C)C)c1)C(=O)Nc1ncc(Cl)cc1Cl 3400090 CDEJERCZJKMLAN-SNVBAGLBSA-N 382.247 3.638 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)N[C@@H](C)c3cc(C)ccc3C)C(=O)[C@H]2C)cc1 12980921 SIIGTEHIMBUZJG-ZWKOTPCHSA-N 393.487 3.646 0 40 GHAB O=C(CSc1nnc2ccccn12)N(Cc1ccccc1)Cc1ccco1 8528422 SEYGFRHMOSWYDB-UHFFFAOYSA-N 378.457 3.643 0 40 GHAB O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1cccc(O)c1 13496294 WVMGZVIVOSKBEC-BJXWFGTRSA-N 380.425 3.623 0 40 GHAB COC(=O)COc1ccccc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O 409128399 FJUCOFKHMFVNTR-GZTJUZNOSA-N 389.473 3.855 0 40 GHAB COC(=O)c1c(NC(=O)c2cc3ccccc3c(=O)o2)sc2c1CCCC2 4248125 IXJHLZLNQIGLFH-UHFFFAOYSA-N 383.425 3.772 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 6347822 IGWTVMIGVDUJEL-UHFFFAOYSA-N 396.443 3.669 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cn2N)cc1 4405962 AWABTDUJZMVJHW-CQSZACIVSA-N 380.473 3.586 0 40 GHAB O=C1OCC2=C1[C@@H](c1ccc(Br)cc1)CC(=O)N2c1ccccc1 5322523 NDVNBEMOIDBBNT-OAHLLOKOSA-N 384.229 3.781 0 40 GHAB O=C(Nc1ccc(F)cc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 5322209 QSGZQSYYWPPUAE-UHFFFAOYSA-N 379.435 3.981 0 40 GHAB Cc1cccc(C)c1NC(=O)COC(=O)COc1ccc(Br)cc1 6479159 TWEQLFCOYPZRRD-UHFFFAOYSA-N 392.249 3.627 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1C 65626262 BMSGKRNJEOPUSG-UHFFFAOYSA-N 379.388 3.948 0 40 GHAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)OC)cc1 6588934 SOSAOVZGHLYEKS-UHFFFAOYSA-N 383.473 3.522 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)c1nn(-c2ccccc2)c(=O)c2ccccc12 6610339 ARIFVGZBOINQHR-UHFFFAOYSA-N 381.395 3.514 0 40 GHAB CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C2CC2)cc1 4704164 MTIHXVBBZYRQQL-HXUWFJFHSA-N 391.471 3.886 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(C)c1)S2 6812089 NFZMRMDAYCMYAP-ZWKOTPCHSA-N 397.479 3.686 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)CN1CCCSc3ccccc31)OCO2 7274119 QSKMQJVAJUWCSC-UHFFFAOYSA-N 384.457 3.559 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 24615293 LHVSWPRNHKVHNC-UHFFFAOYSA-N 386.879 3.659 0 40 GHAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)NCC(F)(F)F)c1 7696891 GNZWQGDEWWJJFP-UHFFFAOYSA-N 380.366 3.613 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 7787057 IKCJBTCSRJFVST-KUHUBIRLSA-N 384.432 3.695 0 40 GHAB Cc1cc(C(=O)Cn2c(=O)oc3cc(Cl)ccc32)c(C)n1C[C@@H]1CCCO1 7866604 YOGJKFDIGHVWOU-HNNXBMFYSA-N 388.851 3.728 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)CNc1ccccc1C(=O)NCc1ccco1 7976098 YAVCHDUZFJALGH-INIZCTEOSA-N 389.455 3.599 0 40 GHAB Cc1nc(COc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)cs1 7911951 PTXUMMQQZKQREY-UHFFFAOYSA-N 382.441 3.689 0 40 GHAB Cc1cc(C(=O)CSc2nnnn2C2CCCC2)c(C)n1Cc1ccco1 8128864 VMWKUTGKJWSMPS-UHFFFAOYSA-N 385.493 3.823 0 40 GHAB CCn1c(SCC(=O)N(C)Cc2cccc(OC)c2OC)nc2ccccc21 9367240 SWCOTDSHSDFROY-UHFFFAOYSA-N 399.516 3.824 0 40 GHAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(c2ccc(O)cc2)CC1 9609445 RGRUODCWFQAGRZ-UHFFFAOYSA-N 398.466 3.694 0 40 GHAB CC(C)CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9421117 WWIVVDIYTSEGQN-ZIAGYGMSSA-N 392.935 3.554 0 40 GHAB O=C(COc1ccc(-c2nnco2)cc1)N1CCS[C@H]1c1ccccc1F 9502855 ISYDAOPQNWQMJG-IBGZPJMESA-N 385.420 3.529 0 40 GHAB CCC(CC)c1cc(C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)on1 72311443 OVFVFWHHYKCMEV-UHFFFAOYSA-N 385.464 3.775 0 40 GHAB O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cc2c([nH]c1=O)CCCC2 95959103 ZHXPVYBGCDKHPR-MRXNPFEDSA-N 377.271 3.978 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)Nc1nc2ccccc2s1 9978943 AVXQAEVOOITLFG-UHFFFAOYSA-N 382.489 3.797 0 40 GHAB O=C(NCCC1=CCCCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 25183897 ZKLJHGDSZRIODL-UHFFFAOYSA-N 390.549 3.872 0 40 GHAB COc1ccc(NC(=O)c2nc(SC)ncc2Br)cc1Cl 27743675 YERFOYYHZNZXIV-UHFFFAOYSA-N 388.674 3.875 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3ccsc3)C[C@H]2N1Cc1ccc(F)cc1 306143107 XTIQFCLEPXALJV-WOJBJXKFSA-N 381.476 3.770 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2ccccn2)C1=O)Nc1cccc2ccccc12 409300758 AUCYJCLWWBZQLX-PDGQHHTCSA-N 389.436 3.910 0 40 GHAB O=C(CCNC(=O)c1ccc(F)cc1F)NCc1ccc(Cl)cc1Cl 39976120 RZXWJWXUOLAUNJ-UHFFFAOYSA-N 387.213 3.708 0 40 GHAB Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)c1 72362374 YIMXJGGERFTVGC-IBGZPJMESA-N 388.471 3.921 0 40 GHAB O=C(C1CCOCC1)N1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 72362889 GUUSHIHLOAFDES-MRXNPFEDSA-N 385.439 3.541 0 40 GHAB O=C(c1ccccn1)N1CCC(c2cncc(Oc3cccc(F)c3)n2)CC1 72362273 ZCVHGLHKGCBRFZ-UHFFFAOYSA-N 378.407 3.823 0 40 GHAB CC1(C)CN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)[C@H]1c1cccnc1 563511716 NUGFWZZSWLJIAX-INIZCTEOSA-N 393.896 3.754 0 40 GHAB COc1ccc(CN(C(C)=O)[C@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1 223261401 LCSGBSCTFDPCBS-HSZRJFAPSA-N 396.531 3.817 0 40 GHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC 223266265 GVTYGRIVPFMTAD-JOCHJYFZSA-N 396.531 3.961 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)c(C)c1 223536212 XSUWBZOIRSWOTC-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB COc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1Cl 224732723 PFUKFCTXZZSYEZ-UHFFFAOYSA-N 390.686 3.936 0 40 GHAB NS(=O)(=O)c1cccc(NC(=O)/C=C/c2cccc(-c3ccccc3)c2)c1 40106497 OMQJWUDKORMILO-OUKQBFOZSA-N 378.453 3.653 0 40 GHAB Cc1cc(C)cc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225699154 IAUGBSICCANZLG-HXUWFJFHSA-N 380.532 3.830 0 40 GHAB Cc1cc(C)cc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 224095253 VQRJQPRBIGREJN-UHFFFAOYSA-N 384.495 3.850 0 40 GHAB COc1ccc(CN(C)C(=O)COc2cccc(C(F)(F)F)c2)cc1OC 41103651 VEVGOAAMYJDYMO-UHFFFAOYSA-N 383.366 3.760 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(C)cc2)cc1 225298220 QLGHDJKCUULSSH-STZFKDTASA-N 390.439 3.684 0 40 GHAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 222913293 MLQXEHAAZLEJJB-VDGAXYAQSA-N 384.549 3.691 0 40 GHAB CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 224830855 HBENQRSFAOMKKB-UHFFFAOYSA-N 388.272 3.980 0 40 GHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCC1 143711565 TUXDPDVOOIHOGO-UHFFFAOYSA-N 392.908 3.594 0 40 GHAB COc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccccc1Cl)C2 96112894 LHMHBQNIFLHBPC-INIZCTEOSA-N 383.879 3.901 0 40 GHAB biogenic,in-vitro Cc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 243732041 PUBKSTMIWSWKQS-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 244185773 VLSFVVJTTOSXSL-LLVKDONJSA-N 379.243 3.994 0 40 GHAB CN(C)C(=O)[C@]1(C)CCCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 257293414 QPJQXETVVRKYLC-HSZRJFAPSA-N 380.488 3.742 0 40 GHAB CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCN(Cc3cccc(C)c3)C2)nc1C 257266575 MDPHYOBVGPQBTL-NRFANRHFSA-N 394.563 3.802 0 40 GHAB O=C(c1ccccn1)N1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 257310476 UFFBRDSYKOOZON-OAQYLSRUSA-N 393.874 3.935 0 40 GHAB Cc1c(NC(=O)Cc2cc(C(F)(F)F)ccn2)cccc1C(=O)N1CCCC1 624961787 SDYXSPANVHRJMC-UHFFFAOYSA-N 391.393 3.826 0 40 GHAB O=C1CCCN1C[C@@H](N[C@@H]1CCCn2ccnc21)c1cccc(C(F)(F)F)c1 655690691 IRBVMYPWNFSYFT-IAGOWNOFSA-N 392.425 3.690 0 40 GHAB O=C(NCCn1ccc(-c2cccs2)n1)c1ccccc1Br 96103844 BCURKKOIAUINEW-UHFFFAOYSA-N 376.279 3.804 0 40 GHAB Cc1nc(-c2c[nH]c(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)c2)cs1 55315666 SFZZRRACGPSFDS-UHFFFAOYSA-N 395.484 3.887 0 40 GHAB CCc1ccc(-c2nnc(-c3cccc([C@H]4CCOC4)c3)o2)cc1S(C)(=O)=O 1615546390 NSSHJRDNNAWLNV-SFHVURJKSA-N 398.484 3.873 0 40 GHAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 5118496 MTLZVNIXKNYFFN-UHFFFAOYSA-N 381.215 3.747 0 40 GHAB COc1c(C(=O)NCc2ccccc2Cl)nnn1Cc1ccccc1Cl 5274782 RFPFJCWFHCCDJA-UHFFFAOYSA-N 391.258 3.572 0 40 GHAB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 5727155 CGMQVZJMYYNDQP-NRFANRHFSA-N 393.487 3.778 0 40 GHAB Cc1c(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n(-c2ccccc2)n1C 12807420 GKMSWDIFVPLBJX-UJOSMDQKSA-N 377.444 3.853 0 40 GHAB Cc1c(O)ccc2c(O)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 13130187 MWCZKKARWNYYQC-UHFFFAOYSA-N 395.411 3.869 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@H]2CS[C@H](c3cccc4[nH]ccc34)N2)c(C)c1 13573194 UXVQGPJZEIUESL-TZIWHRDSSA-N 394.496 3.914 0 40 GHAB CC[C@H](C(=O)Nc1c(F)cccc1F)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716661 DBYKEIMMJMZJNQ-QGZVFWFLSA-N 396.459 3.765 0 40 GHAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2o1 14253101 YYSLTYSRHORFBI-UHFFFAOYSA-N 392.742 3.594 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)CCn3c(=O)oc4cc(Cl)ccc43)ccc12 14891501 ZAPVRECTMAKERL-UHFFFAOYSA-N 398.802 3.692 0 40 GHAB COc1ccc(C(=O)Nc2ccc3nsnc3c2Br)cc1OC 16227221 MSUJPHJTDHTYNV-UHFFFAOYSA-N 394.250 3.723 0 40 GHAB O=C(Nc1nccs1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 16641429 FLNHSISAHATHJF-UHFFFAOYSA-N 393.877 3.850 0 40 GHAB O=C(NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)c1cccnc1 19340550 VRCWEKSUMSOFQK-UHFFFAOYSA-N 387.418 3.576 0 40 GHAB O=C(COc1ccccc1F)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 19350207 OZDPILDIGUDGOV-ZDUSSCGKSA-N 387.436 3.722 0 40 GHAB CC(C)c1nccn1CCC(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 19454469 BHYDEULQPZABCV-SFHVURJKSA-N 378.480 3.545 0 40 GHAB COc1cc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc(OC)c1OC 5376214 YXCIWFUDOJMWOQ-SXGWCWSVSA-N 387.413 3.659 0 40 GHAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1csc(-c2ccccc2)n1 244909776 AVAIFXGSNRLBEF-SFHVURJKSA-N 399.541 3.923 0 40 GHAB O=C(c1ccccc1C(F)(F)F)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037913030 LYCTVYRMDSHFCI-LJQANCHMSA-N 397.368 3.891 0 40 GHAB CN1C(=O)N[C@H](c2ccc(O)cc2)C2=C1CN(c1cccc3ccccc13)C2=O 1422338 QRZGCHRZBZOINZ-OAQYLSRUSA-N 385.423 3.542 0 40 GHAB CNC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCCCC2 4326506 NZNHGFWBYRFLPS-UHFFFAOYSA-N 388.489 3.646 0 40 GHAB O=C(CN1CCC(c2nnc(-c3ccco3)s2)CC1)Nc1ccccc1F 49363126 QAEPVYRQNCJAEB-UHFFFAOYSA-N 386.452 3.755 0 40 GHAB O=C(Cn1cnc(-c2noc(-c3cccc(F)c3)n2)c1)Nc1ccc(F)cc1 49420723 QCLUDMQKRHGRSL-UHFFFAOYSA-N 381.342 3.517 0 40 GHAB CC(C)Sc1ccc(CC(=O)NCc2ccnc(N3CCCC3=O)c2)cc1 575618873 JMDKECZWQZDGAG-UHFFFAOYSA-N 383.517 3.568 0 40 GHAB CC1CCN(c2cc(NC(=O)c3cccc(Br)c3)ncn2)CC1 77100919 SHLKHTXMRFCCEJ-UHFFFAOYSA-N 375.270 3.728 0 40 GHAB O=C(c1ccccc1)C1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1 40039613 CVRWTFLHIRLSLI-UHFFFAOYSA-N 379.456 3.512 0 40 GHAB CCc1[nH]c(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(C)c1C(=O)OC 40013452 RKUWVOGFCLSOIO-MRXNPFEDSA-N 380.448 3.526 0 40 GHAB O=C(Cc1ccc(C(F)(F)F)cc1)N(Cc1cccnc1)C[C@@H]1CCCO1 40156852 JWKBLJAOYDTMMZ-SFHVURJKSA-N 378.394 3.851 0 40 GHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 40156100 AHFKPPXBECUIIR-UHFFFAOYSA-N 384.399 3.964 0 40 GHAB CSc1nn(Cc2ccc(Cl)cc2)c2nc3sc(C)cc3c(=O)n12 40286697 SUQDUIIBQHQFGO-UHFFFAOYSA-N 376.894 3.838 0 40 GHAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)o1 2493047 HMHUBWLCRHZGRG-QHCPKHFHSA-N 375.424 3.638 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)CCCOc3ccccc3)n2)cc1 7759826 CFRVBNBXXSCMKT-UHFFFAOYSA-N 381.432 3.563 0 40 GHAB COc1ccc(C(=O)CSc2nnc(COc3ccccc3OC)o2)cc1 876163 IQPVVCNTOURAMS-UHFFFAOYSA-N 386.429 3.641 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2Cl)cc1 1379455 JKCLGVVOXDFLRQ-GOSISDBHSA-N 387.867 3.661 0 40 GHAB CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1 1891211 XRSKVLLLCIEGCS-UHFFFAOYSA-N 395.531 3.544 0 40 GHAB CCOC(=O)/C=C/C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl 2551756 OMBWSMONDRJTNB-ONEGZZNKSA-N 381.668 3.579 0 40 GHAB O=C(Nc1ccc(Cl)cc1)C1CCC(Cn2nnc3ccccc3c2=O)CC1 6660207 LMWQSLDJOFGWBI-UHFFFAOYSA-N 396.878 3.890 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 6945302 KJYCNVMRJZOYTH-QGZVFWFLSA-N 388.533 3.749 0 40 GHAB CCCCc1ccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 7872084 HBCXYXHYQMYBOG-HNNXBMFYSA-N 392.496 3.962 0 40 GHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1Cc2cc(Cl)ccc2O1 21599067 QYWTVRBDPAMYAG-INIZCTEOSA-N 381.211 3.812 0 40 GHAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 8415330 IKCBXUYBJYPUAD-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB CCc1ccc(-c2ccc(=O)n(CCC(=O)N[C@@H](C)c3ccccc3)n2)cc1 41253994 MGNVAJXXTONDHR-KRWDZBQOSA-N 375.472 3.740 0 40 GHAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(C(F)(F)F)cn1 32903345 GSQSJSJXCJRBOC-UHFFFAOYSA-N 381.335 3.734 0 40 GHAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N(C)Cc1ccco1 7989754 PADPAAWKLOLDAB-QFIPXVFZSA-N 378.472 3.775 0 40 GHAB CCCn1nccc1C(=O)Nc1cnn(Cc2ccc(Br)cc2)c1 28244738 QUJFFWYYBIRYST-UHFFFAOYSA-N 388.269 3.553 0 40 GHAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 22475592 YPMKYMQAVCWOHD-UHFFFAOYSA-N 391.855 3.833 0 40 GHAB Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@H](N(C)Cc4ccco4)[C@H]3C2)c1 107746087 LMMGCAKKQWYAKJ-YYWHXJBOSA-N 388.533 3.509 0 40 GHAB COc1cccc(CC(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)c1 23919184 KISFCDRMOHSRPF-MRXNPFEDSA-N 395.528 3.753 0 40 GHAB Cc1nc(COc2ccc(CNC[C@@H]3COc4ccccc4O3)cc2)cs1 24081630 LTVLDBBLSMOCHY-LJQANCHMSA-N 382.485 3.960 0 40 GHAB Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CCOc3ccccc32)CC1 43165237 QVGVNNUQMCLOTI-NRFANRHFSA-N 379.504 3.782 0 40 GHAB CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)C1 107361905 ZMVQRJVKFPZPHA-FRRDWIJNSA-N 387.471 3.699 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1C)N(c1ccccc1)S(C)(=O)=O 20493531 WBVFPHZMASZLEF-PXNSSMCTSA-N 388.533 3.725 0 40 GHAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(F)cc1F 3228983 PAKKOVJLFLHGCJ-UHFFFAOYSA-N 376.384 3.689 0 40 GHAB Cc1nnc(-c2ccccc2NC(=O)COc2cccc3c2OC(C)(C)C3)o1 58182799 OFHGCNIQVBHLSF-UHFFFAOYSA-N 379.416 3.776 0 40 GHAB CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2c2cccnc2)CCCCCC1 58169265 DTAHLMUOCJNJHD-QZTJIDSGSA-N 387.524 3.919 0 40 GHAB C[C@H](O)c1nc2ccccc2n1CC(=O)N1CCC(Cc2ccccc2)CC1 12649496 AOWKZZBGXHQTOZ-KRWDZBQOSA-N 377.488 3.571 0 40 GHAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1cn2cc(Cl)ccc2n1 12628085 XXIKBLQJQWNCCF-LIRRHRJNSA-N 399.878 3.876 0 40 GHAB Cc1ccc([C@H]2N=C(N)SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)cc1 2219245 OZWAZPXHPPERRJ-OAHLLOKOSA-N 383.860 3.579 0 40 GHAB CCCCCn1c(N)c(C(=O)NCCCOCC)c2nc3ccccc3nc21 2361744 UZUBXAWJNKPCCV-UHFFFAOYSA-N 383.496 3.513 0 40 GHAB C[C@@H](C(=O)NC1CCCCC1)N(C)CCOc1ccc(Br)cc1 12765792 FAUXXSKHJGLCSI-AWEZNQCLSA-N 383.330 3.597 0 40 GHAB COc1cccc(/C=C/C(=O)OCC(=O)c2ccc(Br)cc2)c1 3424329 ONYHCGHNQOKVJW-BJMVGYQFSA-N 375.218 3.897 0 40 GHAB O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 12903319 UUYVYLKWRKASKN-UHFFFAOYSA-N 385.354 3.534 0 40 GHAB CC(C)c1ccc([C@@H](C)NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1 13040293 HUPUQPWQOLYRDP-MRXNPFEDSA-N 385.483 3.697 0 40 GHAB Cc1cc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)c(C)o1 13329187 JTEVPYLXNDLREJ-UHFFFAOYSA-N 388.489 3.561 0 40 GHAB O=C(COC(=O)c1nccc2ccccc12)Nc1cccc(Br)c1 64734186 GLRRECIRPQFQPK-UHFFFAOYSA-N 385.217 3.793 0 40 GHAB Cc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4)C3)s2)cc1C 13944300 NPPDCVKTQLAFEG-INIZCTEOSA-N 392.484 3.928 0 40 GHAB O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 65575698 JKDKORISJHPGRD-HNNXBMFYSA-N 390.505 3.596 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(F)cc2F)cc1 6432763 JFZDVVNEQPXUAO-SFHVURJKSA-N 396.459 3.605 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 14139367 NXFSWUMXUAUBHB-CQSZACIVSA-N 375.424 3.638 0 40 GHAB CC(C)c1ccc(-n2nnnc2SCC(=O)N2c3ccccc3C[C@@H]2C)cc1 5492487 OLRGTTCNKQQSBV-HNNXBMFYSA-N 393.516 3.856 0 40 GHAB CN(Cc1ccccc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 8494140 RIWINLYHJOZUOC-UHFFFAOYSA-N 394.924 3.545 0 40 GHAB CSc1ncccc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 14583342 ULTZDXQCRQIGOV-UHFFFAOYSA-N 385.470 3.951 0 40 GHAB Cc1c(NC(=O)[C@H](C)Oc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 5752514 NPTZWEGPAIFSKS-AWEZNQCLSA-N 385.851 3.544 0 40 GHAB COC(=O)c1ccc(CNC[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1 4980048 JJFBTKJSIACRIT-JOCHJYFZSA-N 391.467 3.670 0 40 GHAB CCC(CC)NC(=O)Cn1c([C@@H](C)NC(=O)c2ccccc2)nc2ccccc21 5980855 UKRCHSXYTDYLHW-MRXNPFEDSA-N 392.503 3.832 0 40 GHAB COc1ccc([C@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 7653929 SMLUNDCVEQPTBS-SFHVURJKSA-N 379.243 3.969 0 40 GHAB O=C(Nc1ccc(F)cc1F)c1cnc2scc(-c3ccccc3)n2c1=O 20767763 MCSWPSKHIQWKER-UHFFFAOYSA-N 383.379 3.954 0 40 GHAB Ic1ccc(OCCN2CCc3ccccc3C2)cc1 19815390 IYOYYCTVEGTQAD-UHFFFAOYSA-N 379.241 3.728 0 40 GHAB C[C@@H]1CCC[C@@H](N2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 19842016 ZEMFQGKVCPZJSG-NVXWUHKLSA-N 395.341 3.551 0 40 GHAB COc1cc(C2=N/C(=C/c3cc4ccccc4o3)C(=O)O2)cc(OC)c1OC 96935645 VKGRHTKBWXGKST-RVDMUPIBSA-N 379.368 3.803 0 40 GHAB Cc1cccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1C 408706311 ZTGAAYPEANDKJO-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB COc1cc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)ccc1NC(C)=O 78975232 WACGPMRSFXQTDB-ICSRJNTNSA-N 397.475 3.774 0 40 GHAB O=C(c1nnn(-c2cccc(F)c2)c1C(F)(F)F)N1CCc2ccccc21 84582034 BEFBNONHVFZGKW-UHFFFAOYSA-N 376.313 3.628 0 40 GHAB Cc1nnc(-c2ccc(C(=O)NCC(C)(C)c3ccc4c(c3)OCCO4)cc2)o1 78903263 JTCDKEAXIKZNIP-UHFFFAOYSA-N 393.443 3.524 0 40 GHAB CC(C)c1ccc(NC(=O)CN2c3cc(Cl)ccc3CS2(=O)=O)cc1 95451613 VPRABNXWPSHPOG-UHFFFAOYSA-N 378.881 3.752 0 40 GHAB Cc1ccc(-n2cc(C(=O)NC[C@@H](O)c3ccccn3)c(-c3ccccc3)n2)cc1 95431493 OCULDAHPMQIULL-JOCHJYFZSA-N 398.466 3.706 0 40 GHAB CCc1c(C)n(CC(=O)Nc2cccc(Cl)c2)c2nc3ccccc3n2c1=O 20798399 WZBDWTPAXUSNEM-UHFFFAOYSA-N 394.862 3.812 0 40 GHAB COC(=O)c1ccc(CSc2nc(COc3ccc(Cl)cc3)n[nH]2)o1 21261948 ZYWMCRYJWDGKFB-UHFFFAOYSA-N 379.825 3.709 0 40 GHAB O=C([C@@H](c1ccccc1)n1cccc1)N1CCN(C/C=C/c2ccccc2)CC1 34192166 JHKVSAYYUNSFEW-XJCKULRNSA-N 385.511 3.935 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=O)C1CCN(Cc2ccccc2F)CC1 39757625 QPIFAZYMFDKZEX-NRFANRHFSA-N 389.559 3.809 0 40 GHAB CN(C)c1ccc([P@](=O)(OCc2ccccc2)[C@@H](O)c2ccncc2)cc1 37868693 OAMJWCBJGHKXJM-ZBLYBZFDSA-N 382.400 3.959 0 40 GHAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)c(O)c(C)c2)C1=O 33581804 FJLQFWPZSMJDCB-YVLHZVERSA-N 396.468 3.992 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@@H]2CCN(C(=O)c3cscn3)C2)n1 72384072 KFYRYEYRDDOSMR-CYBMUJFWSA-N 384.436 3.803 0 40 GHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)o1 38188330 MISLPYWDUGWFDX-LZYBPNLTSA-N 382.397 3.784 0 40 GHAB CC(C)[C@@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)N1Cc2ccccc2C1=O 72325072 PLBGRTARFGWPOC-QFIPXVFZSA-N 387.483 3.733 0 40 GHAB biogenic CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 35088604 QMIIWQGANXDDCF-JBJBFBLISA-N 392.559 3.786 0 40 GHAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2C(=O)Cc2ccccc2)n1 72354685 BYSOOLVQJHSHGD-IBGZPJMESA-N 376.435 3.771 0 40 GHAB Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(Cc2ccccc2F)CC1 44852587 OLQAERMNAHSNRE-GOSISDBHSA-N 384.495 3.930 0 40 GHAB COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1OC 40448015 XRMPTIZEUVLIBT-UHFFFAOYSA-N 388.786 3.870 0 40 GHAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(CCOC)c1C 222961313 PENQKWHOVZRALS-UXHICEINSA-N 386.565 3.919 0 40 GHAB Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2ccccc2F)CC1 44852589 OLQAERMNAHSNRE-SFHVURJKSA-N 384.495 3.930 0 40 GHAB CN(CCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 44916808 HEIWRVJZJKJDTQ-UHFFFAOYSA-N 385.939 3.805 0 40 GHAB CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2noc3c2COCC3)cc1 527604637 RFUZPXAHLIMJHT-QFIPXVFZSA-N 391.471 3.956 0 40 GHAB CCOc1c(Cl)cc(NC(=O)N2CC[C@H](c3n[nH]c(C)n3)C2)cc1Cl 570028282 FBOKRCZWVHRGQD-JTQLQIEISA-N 384.267 3.840 0 40 GHAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C)c1C 223267275 BNYMJQIUTFUVDK-UHFFFAOYSA-N 390.505 3.643 0 40 GHAB CCOc1ccc(C(=O)N2CCN(C)CC2)cc1COc1ccccc1Cl 224481511 UALBWNHZBMEBGR-UHFFFAOYSA-N 388.895 3.705 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 223626674 DLNJYXVFWWGQFB-HXUWFJFHSA-N 396.531 3.852 0 40 GHAB CC(=O)N[C@@]1(C)C[C@@H](c2ccc(Br)cc2)O[C@@H]2[C@H]1CC=C(C)[C@H]2O 257245555 IQBSGGLDWNMAIY-ZRSRNVLSSA-N 394.309 3.501 0 40 GHAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1cc(Br)cs1 253471730 FJHIWTHWLXLDHR-HNNXBMFYSA-N 398.303 3.831 0 40 GHAB COC[C@@H](C)NC(=O)C1(Cc2cccc(-c3ccc(OC)cc3)c2)CCOCC1 257198176 VFMUPQWVSDCUSY-GOSISDBHSA-N 397.515 3.853 0 40 GHAB COc1ccc(-c2ccnc3nc(Cc4ccc(F)cc4)nn23)c(OC)c1OC 604418789 CNQIMAAWISRRRE-UHFFFAOYSA-N 394.406 3.547 0 40 GHAB O=C(O)c1ccccc1CN1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 659795876 JAXDOGWHCQKBCZ-KRWDZBQOSA-N 381.350 3.857 0 40 GHAB CCN1C(=O)C[C@H](CNc2cc(C(F)(F)F)cc(C)n2)[C@H]1c1cccnc1 664056194 JZYDIFNSRVJJHS-RDTXWAMCSA-N 378.398 3.825 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 390827482 YMCNYNJZGLYMAE-AWEZNQCLSA-N 397.866 3.860 0 40 GHAB O=C(CSCc1ccccc1)NCCn1nc(C(F)(F)F)cc1C1CC1 96103740 YSNFQTSZWJPFQC-UHFFFAOYSA-N 383.439 3.829 0 40 GHAB CC(C)(C)OC(=O)N[C@H](Cc1cc(Br)ccc1Cl)C(=O)O 168300769 ATNXDQHIRSSYGG-LLVKDONJSA-N 378.650 3.623 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)n1 1615155042 HGKPVBXRFURVAT-PMACEKPBSA-N 384.499 3.688 0 40 GHAB CCCN(CC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142923073 MZANSCGRZGFLKJ-GFCCVEGCSA-N 384.402 3.606 0 40 GHAB CCc1cc(C(=O)NCc2ccc(-c3ncncc3-c3cc(C)no3)cc2)on1 12158988 OUACEXUEKFTUBF-UHFFFAOYSA-N 389.415 3.587 0 40 GHAB Cc1oc2ccc(O)cc2c1C(=O)NC1CCN(Cc2cccc(F)c2)CC1 12201658 OELASLXYRNASDT-UHFFFAOYSA-N 382.435 3.980 0 40 GHAB Cc1nccc(-c2sc(C3CCN(C(=O)c4cccnc4C)CC3)nc2C)n1 12667998 IPZWQFPVGBUURX-UHFFFAOYSA-N 393.516 3.940 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)C[C@@H](C)n2nnc3ccccc32)c1 19455238 SAGKIWNTEFJREL-DNVCBOLYSA-N 394.475 3.763 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccccn3)cc2N1 19520744 HGYWDVBEOKYSOR-DAXOMENPSA-N 393.413 3.953 0 40 GHAB COc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4F)c3)on2)c1 19718173 JDYBOEBMDIXKLW-UHFFFAOYSA-N 392.390 3.986 0 40 GHAB CC(=O)Oc1cccc(/C=C2\N=C(c3ccccc3Br)OC2=O)c1 1511052 YAODHYIKSGQUMM-YBEGLDIGSA-N 386.201 3.719 0 40 GHAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O 205855548 HXDHTPCWNUEXGD-LDADJPATSA-N 396.468 3.507 0 40 GHAB Cc1ccc(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1 13227059 XRIKEWAXKXBOIO-UHFFFAOYSA-N 375.398 3.831 0 40 GHAB Cc1cncc(CCNC(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)n1 667095749 BYJAGSQGBGQUCA-UHFFFAOYSA-N 385.468 3.644 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C[C@@H]3CCCO3)CC2)on1 257291856 QIXABSZWSYBBJH-BZSNNMDCSA-N 398.507 3.708 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@H]2CN(c3nc4cnccc4s3)C[C@@H]2C1 1888914019 HKKPWWJYZRZDPC-RYUDHWBXSA-N 391.422 3.678 0 40 GHAB O=C1N(c2ccccc2)CCCC[C@@]12CN(Cc1ccc(F)c(F)c1)CCO2 2037983918 KYDTWXCMIJVCET-JOCHJYFZSA-N 386.442 3.753 0 40 GHAB O=C1C[C@]2(CCCN(Cc3ccc(F)cc3F)CC2)Nc2ccccc2CN1 2037988845 LHXSJKNTEDBGLR-JOCHJYFZSA-N 385.458 3.822 0 40 GHAB COc1ccc(CNC(=O)NC[C@@H](OC)c2cc3ccccc3o2)cc1OC 253472653 OCXGQVRVVPWUFM-HXUWFJFHSA-N 384.432 3.637 0 40 GHAB Cc1cccc(-n2c(S)nnc2CNC(=O)c2ccccc2C(F)(F)F)c1 4059239 SOHFSCDHVQHNCK-UHFFFAOYSA-N 392.406 3.813 0 40 GHAB CCOc1ccc(C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)cc1 4377198 ASCDPEOGWNCQDR-UHFFFAOYSA-N 398.440 3.648 0 40 GHAB O=S(=O)(CCc1ccccc1)NC[C@@H](c1ccsc1)N1CCCCCC1 8901474 UYUAVHWZMHDIKG-FQEVSTJZSA-N 392.590 3.827 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)C1 16819064 VCEJLDMKFWLFLD-IYBDPMFKSA-N 393.462 3.702 0 40 GHAB O=C(CSc1c[nH]c2ccccc12)N1CC[C@@H](Oc2ccncc2Cl)C1 575611084 TVPQGAIRIDIGGI-CYBMUJFWSA-N 387.892 3.988 0 40 GHAB COc1cccc(C=O)c1OCCCSc1nnc(Cc2ccccc2)n1C 8731725 GCJXACVRAJKCCE-UHFFFAOYSA-N 397.500 3.788 0 40 GHAB CSCC[C@H](CO)NC(=O)c1ccc2nc(-n3c(C)ccc3C)sc2c1 36569521 ZPNUMYIFVNXWKL-OAHLLOKOSA-N 389.546 3.548 0 40 GHAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCCN(C(=O)C2CCCC2)CC1 40118587 XSQVUGQUAKJSRG-UHFFFAOYSA-N 391.515 3.977 0 40 GHAB O=C(CCc1nc(Cc2ccccc2)no1)OCc1nc2ccccc2s1 40129087 XBVHREFXBNIFBV-UHFFFAOYSA-N 379.441 3.946 0 40 GHAB COc1ccc(Nc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 819404 PXQCEVAGMALAOZ-UHFFFAOYSA-N 383.429 3.554 0 40 GHAB CCc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 928173 SDIUMRHLRATJNR-UHFFFAOYSA-N 395.528 3.590 0 40 GHAB COc1ccccc1/C=C1/SC(=O)N(CCC(=O)Nc2ccccc2)C1=O 975210 GPHWEDJXACKJLR-GHRIWEEISA-N 382.441 3.760 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1C 1266431 AVEDTDJJXBWPIE-UHFFFAOYSA-N 379.504 3.860 0 40 GHAB Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2S(C)(=O)=O)cc1 1308266 IGUZFKKUVNQRFY-QGZVFWFLSA-N 393.306 3.868 0 40 GHAB CCC(=O)N(Cc1ccccc1OC)Cc1cc2cccc(C)c2n2nnnc12 1376870 FPNQEBHKEQPDRN-UHFFFAOYSA-N 389.459 3.533 0 40 GHAB Cc1sc2ncn3c(SCC(=O)Nc4cccc(F)c4)nnc3c2c1C 1379196 NAWRRENOAWVREB-UHFFFAOYSA-N 387.465 3.826 0 40 GHAB COC(=O)c1[nH]c2ccc(F)cc2c1NS(=O)(=O)c1ccc(C)cc1C 2365246 QMTAGIJGDQTZIA-UHFFFAOYSA-N 376.409 3.511 0 40 GHAB O=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2cccs2)cs1 2723383 RPWZZCTUIDMQCF-UHFFFAOYSA-N 381.548 3.556 0 40 GHAB O=C(CSc1cc(Cl)ccc1Cl)N1CCN(C(=O)c2ccco2)CC1 3231992 LAACZFHEMXUQFX-UHFFFAOYSA-N 399.299 3.663 0 40 GHAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCCCC2)cc1 3266719 IKMMONHYRZMTRD-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)c(OC)c1 3321118 RKWHNJNCPSDVHQ-UHFFFAOYSA-N 399.230 3.510 0 40 GHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1 3517781 WTKQGWCMOOMLKR-HUUCEWRRSA-N 390.480 3.745 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)NC1CC1 3536241 WBJQRWYPWWQNFI-UHFFFAOYSA-N 383.517 3.658 0 40 GHAB Cc1ccc([C@H]2CN3C(=O)CN(C4CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 4084161 RESOVXZAEZCWDE-CLOONOSVSA-N 399.494 3.670 0 40 GHAB biogenic Cc1ccccc1C(=O)N(c1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 4339971 LXKIUZOAZLLFMN-OAHLLOKOSA-N 377.893 3.791 0 40 GHAB CN(C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 4585332 AYFUOLUJSOEUHX-UHFFFAOYSA-N 397.500 3.666 0 40 GHAB C[C@@H]1CCc2c(sc3nc(SCC(=O)O)n(-c4ccccc4)c(=O)c23)C1 4812098 ZUAXFHMGDKFBFA-LLVKDONJSA-N 386.498 3.749 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 5136331 MQPLONNPPZEZJY-UHFFFAOYSA-N 382.460 3.891 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1sc(=S)n(-c2ccccc2)c1N 5516019 POQSKZBPRTZQOY-UHFFFAOYSA-N 385.470 3.889 0 40 GHAB Cc1cc2oc(=O)cc(CSc3nnnn3-c3cccc(F)c3)c2cc1C 5796490 NTWAYSSYWBVXIK-UHFFFAOYSA-N 382.420 3.817 0 40 GHAB O=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CCCCCC1 6415175 IYWWLFOYUXIKIF-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB Cc1csc(=O)n1CCC(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 6590745 ANRHLYVUIOPUTB-UHFFFAOYSA-N 393.464 3.606 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 6602324 RJTUUAOFSFGSSN-ZDUSSCGKSA-N 388.851 3.657 0 40 GHAB Cc1ccc(C)c(C(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c1 6683889 UFCKLSWAFMTKGZ-LDADJPATSA-N 398.459 3.909 0 40 GHAB CCOc1ccccc1N1CCN(c2nc3cc(C)nn3c3ccccc23)CC1 7737972 VQCHCRVQOZTUNO-UHFFFAOYSA-N 387.487 3.916 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccccc3)n2)cc1OC 7750910 GIWOUMPJSKZIPW-CQSZACIVSA-N 381.432 3.564 0 40 GHAB O=C(CSCc1cc(Cl)c2c(c1)OCCO2)NCCc1ccccc1 7849565 QHWUOZDEOCMRFE-UHFFFAOYSA-N 377.893 3.703 0 40 GHAB O=C(Cc1noc2ccccc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8137155 BCNMDPIGTNFQLJ-UHFFFAOYSA-N 389.377 3.738 0 40 GHAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2C2CC2)no1 8157159 JHOUNDBGISXFRA-NSHDSACASA-N 387.440 3.835 0 40 GHAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)nc1 8706823 PRFCIQVZMASPAV-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N[C@H]3CCCc4ccccc43)n2)cc1 8735594 AXOMDEAERMIWEW-IBGZPJMESA-N 377.444 3.872 0 40 GHAB O=C(OCc1ccc(F)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 9055680 SKHDNULGQQMQRO-UHFFFAOYSA-N 375.355 3.983 0 40 GHAB COc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1OC 9137481 XLZJIAZVLLDZSF-UHFFFAOYSA-N 382.460 3.891 0 40 GHAB COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccncc1 9464129 TYLARTWOJBDJJT-UHFFFAOYSA-N 385.423 3.779 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1nnc(CCCc2ccccc2)s1 9582153 ZKOMIOADNBIBHH-UHFFFAOYSA-N 383.473 3.983 0 40 GHAB CCCn1nc(C(=O)N(C)Cc2nc3ccccc3s2)c2ccccc2c1=O 10286229 VLSUALLZXKXNOO-UHFFFAOYSA-N 392.484 3.688 0 40 GHAB COc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cn1 11005868 LBFYDPNEASYQDW-UHFFFAOYSA-N 396.447 3.868 0 40 GHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2cccs2)C2CC2)c1 11282335 JPCDXVQVRUQECR-INIZCTEOSA-N 398.937 3.533 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CNC(=O)COc3ccccc3)n2)c(C)c1 11359334 QHBNYHVMJVRMPQ-UHFFFAOYSA-N 395.484 3.561 0 40 GHAB Cn1c(=O)c2c(-c3cccc(Cl)c3)c(NCc3ccccc3)oc2n(C)c1=O 11615591 JSCKJZDQXBBEIJ-UHFFFAOYSA-N 395.846 3.763 0 40 GHAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)c1cccc(C(F)(F)F)c1 11768542 JIHFXYCSNBJGIC-UHFFFAOYSA-N 381.379 3.952 0 40 GHAB CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 12507964 VXPWBSOWBBNUHE-UHFFFAOYSA-N 394.301 3.588 0 40 GHAB Nc1nc(SCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)n[nH]1 12885201 QXMUUJDEUYKXTN-UHFFFAOYSA-N 375.841 3.563 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1 12927250 KDRISBWGSZHHRQ-GJZGRUSLSA-N 389.521 3.792 0 40 GHAB Cc1cc(C)c(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(Cl)c1 12933156 NXSRGMHQMTXDQP-UHFFFAOYSA-N 375.787 3.551 0 40 GHAB O=c1c2c(-c3ccccc3)csc2ncn1C[C@H](O)COc1ccccc1 13002144 VVJOHTOFVPKIFF-INIZCTEOSA-N 378.453 3.565 0 40 GHAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(OC)c2)o1 15881387 SPPYWUDHGCCCPY-UHFFFAOYSA-N 376.416 3.901 0 40 GHAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1cccc(Cl)c1 16330461 UUMITOYZOITECU-GFCCVEGCSA-N 384.914 3.513 0 40 GHAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2ccc(C)c(C)c2)cc1 16637195 JELDFLBLVYXJBZ-UHFFFAOYSA-N 399.516 3.934 0 40 GHAB CCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1Br 17919988 ZEGRGFWQZPWWED-TXEJJXNPSA-N 376.316 3.514 0 40 GHAB CC(C)c1nc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)cc2s1 19453829 XOANWWBMTYJTDY-CQSZACIVSA-N 394.500 3.802 0 40 GHAB CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)c3ccccc3F)CC2)n1 19525823 OJGFGFNEWOFFCR-UHFFFAOYSA-N 393.466 3.978 0 40 GHAB COc1ccccc1CNc1n[nH]c2nc([C@H]3CCN(C(=O)C(C)C)C3)ccc12 19705011 VMKXAFHUJJXQDP-INIZCTEOSA-N 393.491 3.551 0 40 GHAB Cc1cc(C)n(CCCN(C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 19717463 JKHMLNSUKIDZGK-UHFFFAOYSA-N 390.336 3.659 0 40 GHAB COc1ccc(C(=O)N(C)c2nnc(-c3ccccc3)o2)cc1Br 20219943 JYZFWPOBMGVHGE-UHFFFAOYSA-N 388.221 3.784 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)c1ccc(C)cc1C)N(c1ccccc1)S(C)(=O)=O 20493530 WBVFPHZMASZLEF-FXAWDEMLSA-N 388.533 3.725 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCC[C@@H]2CCCC[C@@H]21 20947829 LWMTUWAUVHCGHF-SXLOBPIMSA-N 384.520 3.776 0 40 GHAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CCN(C(=O)C2CC2)CC1 21205672 IHKRKCBGGVHGHI-UHFFFAOYSA-N 384.476 3.705 0 40 GHAB CC(=O)Nc1cccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1C 23174956 AOMUROFVEIDZQF-OAQYLSRUSA-N 377.444 3.856 0 40 GHAB Cc1ccc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)c(C)c1 23211932 KKJWTUUHHHMXJB-HXUWFJFHSA-N 388.939 3.827 0 40 GHAB COc1ccc(-c2csc3nc(C)nc(N4CCC(O)CC4)c23)cc1OC 23990960 IRGWLKQIIJEJCE-UHFFFAOYSA-N 385.489 3.645 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nc2ccsc2c1=O 27820275 MTKSRJIQCVHRPB-UHFFFAOYSA-N 377.466 3.656 0 40 GHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)C1(C)C 27988801 HJFHVMGLJCACES-IUODEOHRSA-N 378.519 3.877 0 40 GHAB Cc1ccccc1Cn1cc(NC(=O)[C@H](C)n2nc(C(F)(F)F)cc2C)cn1 28229718 JSRGEVYUWKDMLN-AWEZNQCLSA-N 391.397 3.963 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N(C)C)cc1 28290345 ZTZDRKIOZRATQS-IBGZPJMESA-N 378.472 3.751 0 40 GHAB COC(=O)c1ccc(CN(C)C(=O)/C=C/c2ccc(Br)cc2)cc1 30516407 LHDBATYOMIQMNF-KPKJPENVSA-N 388.261 3.908 0 40 GHAB CCCn1c(=O)n(CC(=O)N2CC=C(c3ccccc3)CC2)c2ccccc21 30996581 LRXMNCFXYGJANY-UHFFFAOYSA-N 375.472 3.529 0 40 GHAB COc1ccc(-n2nnc(C(=O)Nc3ccc4oc(C5CC5)nc4c3)c2C)cc1 31142523 DQZYVBSTADREFT-UHFFFAOYSA-N 389.415 3.855 0 40 GHAB Cc1ccc(CN(C)C(=O)c2cn(-c3cccc(Br)c3)nn2)cc1 32816058 AJUWTVMWEMUXOQ-UHFFFAOYSA-N 385.265 3.610 0 40 GHAB COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1ccc(N2CCCC2=O)cc1 32863154 BXVHQLCSCNGCGZ-MRXNPFEDSA-N 381.476 3.691 0 40 GHAB CCC[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1)c1ccccc1 32926799 QZLSUFXNIOQRLG-HXUWFJFHSA-N 389.455 3.898 0 40 GHAB COc1ccc(-c2noc(-c3ccccc3OCC(=O)NC3CCCC3)n2)cc1 35476132 VDAUNCUHFBGEGY-UHFFFAOYSA-N 393.443 3.850 0 40 GHAB COc1ccccc1CN1C(=O)c2ccccc2N[C@@]12C(=O)Nc1ccccc12 36358752 YLNWXHGALSHJGW-HSZRJFAPSA-N 385.423 3.568 0 40 GHAB O=C1C[C@H](C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CN1C1CCCC1 40033828 OULUEDSYIGOYTA-ZDUSSCGKSA-N 378.875 3.761 0 40 GHAB CC(=O)c1ccccc1NC(=O)COc1ccc(I)cc1 40159233 HEVTUJJSMMBUBG-UHFFFAOYSA-N 395.196 3.511 0 40 GHAB Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)no2)cc1 41155955 YPIAOXDYXZSVHF-CYBMUJFWSA-N 377.400 3.646 0 40 GHAB CSc1ccccc1CN1CCC(CNC(=O)c2ccc3c(c2)OCO3)CC1 43991208 SJPHEJOIWUJMTA-UHFFFAOYSA-N 398.528 3.779 0 40 GHAB COc1ccc(C)cc1NC(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21 44841615 SNJXIZWSVOBEDR-UHFFFAOYSA-N 382.460 3.665 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 48064923 UKYIRRGCFJRLQU-QYFOZDBKSA-N 393.487 3.659 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCN(c3cccc(C)c3)CC2)cc1 48065994 BCKXMOGDYPKPKD-FMIVXFBMSA-N 393.487 3.925 0 40 GHAB COc1cc2nc(CN[C@@H](C)c3ccc4ccccc4c3)[nH]c(=O)c2cc1OC 49609453 BNVQFDTZSHFSHY-AWEZNQCLSA-N 389.455 3.944 0 40 GHAB O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(F)c(Cl)c1 51315210 OBNAASZBSAPUSR-UHFFFAOYSA-N 376.727 3.615 0 40 GHAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@H]1CCCOc2ccc(F)cc21 54283609 QESFVZNDWKIJDM-AWEZNQCLSA-N 384.436 3.691 0 40 GHAB CCN(Cc1ccccc1)C(=O)Cn1cnc2c(sc3ccccc32)c1=O 57507945 RQSXRAAXMXZHHV-UHFFFAOYSA-N 377.469 3.660 0 40 GHAB NC(=O)c1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 58366420 XLUBCFSHYBTIKU-UHFFFAOYSA-N 383.835 3.600 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)N(CCC(N)=O)c3ccc(F)cc3)o2)cc1 58520050 FOLRKHVHYDEBIU-UHFFFAOYSA-N 395.434 3.630 0 40 GHAB Cc1ccc2c(c1)N(C(=O)COC(=O)c1ccc(C(F)(F)F)cc1)CCO2 72330059 FVIMHOQPTLWIIS-UHFFFAOYSA-N 379.334 3.596 0 40 GHAB CN(C)c1ccc(C(=O)N2CCC(c3[nH]ncc3-c3ccncc3)CC2)cc1 72334792 CVDXYKLPCPVVSS-UHFFFAOYSA-N 375.476 3.558 0 40 GHAB COc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2ccncc2)C1 72362104 FQNDYMYCTRFZLD-KRWDZBQOSA-N 390.443 3.692 0 40 GHAB COc1ccccc1Oc1nccnc1C1CCN(C(=O)c2coc(C)n2)CC1 72363258 FLJDGMXCDGKTKT-UHFFFAOYSA-N 394.431 3.594 0 40 GHAB Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 72378920 JLRVJVISYZGCKD-GOSISDBHSA-N 378.451 3.664 0 40 GHAB CCc1ccc2nc(NC(=O)NCc3nc(-c4cccnc4)no3)sc2c1 83825574 ZEJZDIWKHBABCR-UHFFFAOYSA-N 380.433 3.625 0 40 GHAB CCOc1ccc(S(=O)(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)cc1 96104106 PFVMJBZMWKVFOA-UHFFFAOYSA-N 389.521 3.753 0 40 GHAB O=C(Nc1cccnc1)c1ccn(-c2ccc3ccc(-c4cccnc4)cn23)n1 96155342 PVMGRRJIFNGIRE-UHFFFAOYSA-N 380.411 3.834 0 40 GHAB CCCCCc1nnc(NC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)s1 103469228 VEOVMDRBJCQVQL-SNEKZUEESA-N 390.553 3.684 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1C 219284373 TXGYVVZPAGERBV-ZDUSSCGKSA-N 380.897 3.819 0 40 GHAB CSc1nnc(NC(=O)COc2cc(C)c(Br)c(C)c2)s1 223117331 PKTGYBHVWLBUNB-UHFFFAOYSA-N 388.312 3.657 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 223150782 IPTFSRVJQJYPMB-GOSISDBHSA-N 376.859 3.575 0 40 GHAB O=C(Nc1ccccc1Sc1ccccc1)c1cc(N2CCOCC2)on1 224080356 CJALCNSVVDYZSC-UHFFFAOYSA-N 381.457 3.915 0 40 GHAB O=C(NCc1ccnc(N2CCCCC2)n1)Nc1cccc(C(F)(F)F)c1 224210708 WYPVYLMJFDNEPZ-UHFFFAOYSA-N 379.386 3.807 0 40 GHAB O=C(N[C@H]1C[C@@H]2C(=O)Nc3ccccc3N2C1)c1ccc(-c2cccs2)cc1 225628597 GJMDSAGUFVEWDA-QFBILLFUSA-N 389.480 3.745 0 40 GHAB COC(=O)c1ccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1 225808907 BDYZUQQRZBCWBH-UHFFFAOYSA-N 385.807 3.748 0 40 GHAB CS(=O)(=O)N[C@@H](CC(=O)Nc1cccc2ccccc12)c1ccc(F)cc1 225945687 PUJZJDKPBLPLLY-IBGZPJMESA-N 386.448 3.598 0 40 GHAB CN1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCC1 257202281 ALDNDAKOIMHURK-LYVDORBWSA-N 395.591 3.557 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@@H](Cc2cc(-c3ccc(C(=O)O)cc3)ncn2)C1 257284959 PFAZPGDJVPBZPF-HNNXBMFYSA-N 381.476 3.669 0 40 GHAB CC(C)CN1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 257339472 ZBWFTCLOOJGCFG-FQEVSTJZSA-N 377.916 3.724 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2C)ccc1OCC 408586631 PJJRWUVJCQTURO-UHFFFAOYSA-N 378.450 3.763 0 40 GHAB C[C@@H]1CCC2=NN(C(=O)CSCc3ccccc3)[C@](O)(C(F)(F)F)[C@H]2C1 409350970 VCZPOHDCTFAKND-HACGYAERSA-N 386.439 3.805 0 40 GHAB CN(C(=O)NCCc1cc2ccccc2o1)[C@H]1CCCN(c2ccccc2)C1=O 524805676 GZABAOZXWACWBB-FQEVSTJZSA-N 391.471 3.812 0 40 GHAB CC(C)c1ccc(-c2csc(NC(=S)N[C@H]3C=CS(=O)(=O)C3)n2)cc1 575426094 MKINMIBYBBVAOY-AWEZNQCLSA-N 393.559 3.531 0 40 GHAB Cc1cnc([C@H](NC(=O)N2Cc3cnn(-c4ccccc4)c3C2)C2CC2)s1 579806228 OXYYBZLGEUDDHC-GOSISDBHSA-N 379.489 3.814 0 40 GHAB CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@H]1C[C@@H]1C)C2 585106658 DRIFFLSOLUZIPY-IUKKYPGJSA-N 378.520 3.822 0 40 GHAB COc1ccccc1C1(C(=O)NC[C@H](O)c2ccc(-c3ccco3)s2)CC1 1775967887 FTDJBARPVJQIIV-HNNXBMFYSA-N 383.469 3.898 0 40 GHAB CC(C)c1nccc(N2CCCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)n1 2087043847 UEDIIROJBFLQGP-UHFFFAOYSA-N 393.539 3.657 0 40 GHAB CC(C)C(=O)N1CCC(C(=O)Nc2cccc(C3SCCS3)c2)CC1 31581886 FEWPRRXDDMFQDK-UHFFFAOYSA-N 378.563 3.998 0 40 GHAB CNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 884227 WMGNBVDBTHMNRC-UHFFFAOYSA-N 395.528 3.660 0 40 GHAB CCOC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(OC)cc1 917748 VSKPNDGVCGFLQK-UHFFFAOYSA-N 399.472 3.607 0 40 GHAB COc1ccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2C)cc1 1980689 ZOZGVOIBNIGLPN-UHFFFAOYSA-N 378.881 3.967 0 40 GHAB Cc1[nH]c(C(=O)NCCc2cccc3cccnc23)c(C)c1C(=O)OC(C)C 32076637 AWDUUQNKEAWEBK-UHFFFAOYSA-N 379.460 3.717 0 40 GHAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc4c(c3)OCO4)n2)cc1 3436740 FLCPSSXRKAXSBT-UHFFFAOYSA-N 396.424 3.643 0 40 GHAB COCCCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccco1 4861160 XCXIAFNYXALGAE-UHFFFAOYSA-N 375.425 3.689 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc1 6841749 RPFXRHQBJDUESW-UHFFFAOYSA-N 386.517 3.651 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccc3F)c2)c1 7230266 JZXLWSRMXCBDJH-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CCc1nnc(S/C(=C\c2ccc(OC)c(Br)c2)C(=O)O)o1 7508316 TZRAFXNXSBRFKW-XFFZJAGNSA-N 385.239 3.621 0 40 GHAB CCOc1ccc(S(=O)(=O)NCCSCc2ccccc2)cc1OCC 8495004 KAVMXZYENHKRGH-UHFFFAOYSA-N 395.546 3.696 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 8497578 FTCQFRYKWCLXCU-AWEZNQCLSA-N 387.432 3.513 0 40 GHAB Cc1c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)oc2c1C(=O)CC(C)(C)C2 32932255 NCNDXLZLWVIICM-UHFFFAOYSA-N 380.444 3.888 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CCC(=O)c2ccc(C)c(C)c2)c(C)c1 9155684 QMRSTMHSRMZYGO-UHFFFAOYSA-N 380.488 3.947 0 40 GHAB CCOc1cc(CO)cc(Br)c1OCc1cccc(C(=O)O)c1 9323007 MZVAJTYWMSWKAN-UHFFFAOYSA-N 381.222 3.617 0 40 GHAB COc1cc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)ccc1OC(C)C 2766057 XSQRHECHQUSESB-FXAWDEMLSA-N 380.444 3.652 0 40 GHAB biogenic CCN(CC)Cc1ccc(CNC(=O)Cc2c(C)nn(CC(C)C)c2C)cc1 21960381 MYTVXKJGHMNBSB-UHFFFAOYSA-N 384.568 3.857 0 40 GHAB COc1ccc(CN(C)[C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1F 102930329 VNYZKVAZOKDKCZ-FQEVSTJZSA-N 392.430 3.751 0 40 GHAB COc1ccc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c(OC)c1 23393964 DXNAWHQOSOEOPP-UHFFFAOYSA-N 388.427 3.749 0 40 GHAB O=C(CSCc1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 50660143 OJYKJBPWHUNAPC-QGZVFWFLSA-N 394.968 3.824 0 40 GHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCOc1cccc2ccccc12 59417427 NCXDWEQUEKCXMV-UHFFFAOYSA-N 382.847 3.935 0 40 GHAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1 821181 SKNAYYMPDONYOL-CQSZACIVSA-N 376.453 3.641 0 40 GHAB CN(C)[C@@H](CNC(=O)COc1cc(Cl)ccc1Cl)Cc1ccccc1 23198308 DZPPWVZNSOIVRE-MRXNPFEDSA-N 381.303 3.661 0 40 GHAB Cc1cc(COC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)on1 23221459 QTQCPNFVVRBBAF-UHFFFAOYSA-N 384.392 3.788 0 40 GHAB O=C(NC(=S)Nc1cccc(Br)c1)c1ccc2nsnc2c1 57316188 LRPPBUBGNWPYRH-UHFFFAOYSA-N 393.291 3.581 0 40 GHAB O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)c1cccc(Br)c1 101035132 PBVVRKFPJVCTOF-CHWSQXEVSA-N 379.250 3.570 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2nc3ccccc3n2C(F)F)c1 12535424 HTEGZNKQYUFTAI-UHFFFAOYSA-N 379.432 3.869 0 40 GHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3)ccc21 15867619 YXJBGRZYKZLJDV-UHFFFAOYSA-N 385.489 3.975 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)C2(c3cccc(F)c3)CCCC2)n1 21529562 KDXPLVYMWWYOSL-UHFFFAOYSA-N 376.453 3.838 0 40 GHAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 24842497 VWRBIWCDYGMUSZ-UHFFFAOYSA-N 399.299 3.958 0 40 GHAB C[C@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(F)cc1F 24968513 HYMQFYKAZIFCHQ-AWEZNQCLSA-N 387.430 3.630 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CC(C)(C)CC(=O)O 25044186 FMRWNJNYOHLLNZ-UHFFFAOYSA-N 377.359 3.560 0 40 GHAB CCCCNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 113937807 ZFYWSTJKZVSEHQ-UHFFFAOYSA-N 388.533 3.723 0 40 GHAB O=C(CCc1ccc(F)cc1)Nc1ccccc1C(=O)NCc1cccnc1 61239350 DHJZLCYSVFTAFJ-UHFFFAOYSA-N 377.419 3.722 0 40 GHAB O=C(CCc1ccccc1)Nc1ccccc1OCc1cc(=O)n2ccccc2n1 21099460 KHJJQOVVFBBNSQ-UHFFFAOYSA-N 399.450 3.845 0 40 GHAB CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 113886376 VKVGAOSYXOBTQV-UHFFFAOYSA-N 385.844 3.546 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)NCC2(c3ccccc3)CCCC2)cc1 25768053 LZSINPUYKQHBDB-UHFFFAOYSA-N 398.528 3.604 0 40 GHAB O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1CCC(N2CCCC2)CC1 56785096 HCDNISRCVRHACJ-IBGZPJMESA-N 387.524 3.727 0 40 GHAB O=C(c1ccc(NC2CC2)nc1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 107525656 HISYKSQYVAGOGF-RBBKRZOGSA-N 390.531 3.783 0 40 GHAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc2c(c1)CCO2 26231109 VDWCUIBKCLQAFP-UHFFFAOYSA-N 375.211 3.521 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 44016776 AHYFEWNQIBCVFM-HNNXBMFYSA-N 376.464 3.818 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccccc2OC(C)C)ccc1N1CCCC1=O 113949926 GPJFDNQFMDCECT-UHFFFAOYSA-N 388.489 3.710 0 40 GHAB COc1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3Cl)c2)c(OC)c1 27088242 JIXNEGAPAXVVGF-UHFFFAOYSA-N 399.878 3.874 0 40 GHAB O=C(c1ccc(F)cc1Br)N1CCN(CCc2ccccc2)CC1 10234489 XNCOWZUCCBAVOZ-UHFFFAOYSA-N 391.284 3.589 0 40 GHAB Cc1c(NC(=O)N[C@H](c2ccccc2)C2CC2)c(=O)n(-c2ccccc2)n1C 58264461 WMRLPLASQCDKHQ-HXUWFJFHSA-N 376.460 3.757 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CCn1nnc(-c2ccc(Cl)cc2)n1 12758034 WTCQOYCFECFSBS-UHFFFAOYSA-N 392.246 3.684 0 40 GHAB COc1cc(CCC(=O)Nc2cccc(-c3cnco3)c2)cc(OC)c1OC 48205239 VGZBZRRIVZANPY-UHFFFAOYSA-N 382.416 3.939 0 40 GHAB CCOP(=O)(OCC)[C@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl 2300671 RMMLPCOKSMLRGK-JTQLQIEISA-N 378.576 3.972 0 40 GHAB COc1ccc(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 12896856 JNODQZONVVYKKQ-UHFFFAOYSA-N 382.460 3.807 0 40 GHAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC3(c4ccccc4)CCC3)c2C)n1 45341337 TYPPHBUSTVGAFG-UHFFFAOYSA-N 389.503 3.634 0 40 GHAB O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 3412956 HEKHNLGCWKPAGO-CQSZACIVSA-N 375.837 3.647 0 40 GHAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(N2CCOCC2)nc1 12990701 HEQDXOFYIFCKDS-UHFFFAOYSA-N 385.773 3.843 0 40 GHAB Cc1nc(/C=C/C(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)cs1 12993815 HVKUJXJZSXDEFZ-MDZDMXLPSA-N 386.473 3.875 0 40 GHAB Cc1c(C(=O)N(C)Cc2cccc(Cl)c2)sc2nc3n(c(=O)c12)CCC3 12997184 YNSAKPVVTPKBIY-UHFFFAOYSA-N 387.892 3.638 0 40 GHAB Cc1[nH]c2ccccc2c1CCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 13684251 JDKOIIVQDKYTII-UHFFFAOYSA-N 385.508 3.782 0 40 GHAB CCCCCCOC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12 5047418 FYQBASMJBUPYPG-UHFFFAOYSA-N 384.480 3.940 0 40 GHAB COc1cccc(-n2nnc(C(=O)NCc3ccc(C)cc3)c2-c2ccncc2)c1 65082961 VBMDSOJGEQCDTA-UHFFFAOYSA-N 399.454 3.576 0 40 GHAB C[C@@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)N1CCCCCC1 14159759 LNXHVHUOMPHWIN-CYBMUJFWSA-N 394.928 3.920 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)CC2)cc1 14349008 HFQPRTQXQYEUNX-UHFFFAOYSA-N 388.471 3.550 0 40 GHAB O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)[C@@H]1COc2ccccc2O1 5776580 GEPADEUZSOYGKL-HNNXBMFYSA-N 387.848 3.561 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1Cl)S2 6811774 OIRDMVLQYLTCNO-SJORKVTESA-N 399.907 3.892 0 40 GHAB C[C@H]1CCN(C(=O)COc2ccc(Cl)cc2C(N)=O)c2ccccc2S1 7022745 FOPWWXIYTXVUPI-LBPRGKRZSA-N 390.892 3.735 0 40 GHAB Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccccc1)S2 9237517 RIDKQKXGHPVUBP-HOTGVXAUSA-N 385.880 3.638 0 40 GHAB C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1ccc(OC(F)(F)F)cc1 89904314 XZQZWDINSYZVMM-GFCCVEGCSA-N 391.349 3.996 0 40 GHAB C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1 89904813 ISDVVXGHEAQOSG-CRAIPNDOSA-N 385.474 3.747 0 40 GHAB COc1ccc(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 9364653 DRRCDSMKKNLWFB-UHFFFAOYSA-N 388.876 3.610 0 40 GHAB C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2O)CC1 83927537 HCBCLDMGSPXXGV-CYBMUJFWSA-N 394.302 3.848 0 40 GHAB O=c1[nH]c(=S)n(-c2ccccc2Cl)c2c1CN(CCc1ccccc1)CN2 19939116 DNOFNMDELSRKQY-UHFFFAOYSA-N 398.919 3.976 0 40 GHAB O=C(Nc1cccc(CNC(=O)c2c(O)cnc3ccccc23)c1)c1ccco1 72314352 ZFWVDRVKSZACKY-UHFFFAOYSA-N 387.395 3.716 0 40 GHAB CCCCCC[C@@H](C)N(C(=O)[C@@H]1COCCO1)c1ccccc1C(=O)OC 72300856 AIYODMVIAQDONZ-APWZRJJASA-N 377.481 3.581 0 40 GHAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1nc(-c2ccccc2F)cs1 95962338 DRVCNHNGQJQLIZ-UHFFFAOYSA-N 391.449 3.573 0 40 GHAB CCN(Cc1ccccc1)C(=O)c1nc([C@H]2CCCN2C(C)=O)n2ccccc12 306130547 JJCHLGVJWJHTNN-HXUWFJFHSA-N 390.487 3.680 0 40 GHAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)NC(C)C 408700854 MZPIKCVZEWQYIB-UHFFFAOYSA-N 390.505 3.641 0 40 GHAB COCCn1ccc2ccc(C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)cc21 524732917 ZYJVNTIVGOEEJP-IBGZPJMESA-N 394.471 3.722 0 40 GHAB Cc1c(C(=O)N=c2[nH]nc(C3CC3)s2)oc2cc(Br)ccc12 526052231 GYPOKDWVUKWCAN-UHFFFAOYSA-N 378.251 3.907 0 40 GHAB COc1ccccc1-c1cccc([C@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72348769 UIIISGVLNCDFRF-SFHVURJKSA-N 379.504 3.559 0 40 GHAB CN1CCC(C(=O)N2CCC[C@H](c3cccc(Cc4ccccc4F)n3)C2)CC1 72350396 DSCOFTZNBXSECW-FQEVSTJZSA-N 395.522 3.859 0 40 GHAB CC(=O)c1c(C)cc(C)c(CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)c1C 72066150 NTZRXDINMDUQHO-QFIPXVFZSA-N 382.460 3.992 0 40 GHAB COc1ccc(-c2cnn3c(C)c(C(=O)Nc4ccccc4)cnc23)cc1OC 38829670 RTXMQTOOOUDTNE-UHFFFAOYSA-N 388.427 3.974 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)c1 224855759 QHNNWWKZZQISBU-UXHICEINSA-N 394.500 3.912 0 40 GHAB COc1ccc(N2N[C@@](C)(c3ccccc3Br)NC2=S)cc1 225343739 CFZUCDJIYONRPX-INIZCTEOSA-N 378.295 3.530 0 40 GHAB CN(c1ccc(C(=O)NC(C)(C)C)c(Cl)c1)S(=O)(=O)c1ccccc1 224227211 PEKLXOOCISNUOU-UHFFFAOYSA-N 380.897 3.693 0 40 GHAB CN(CCCOc1cccc(Cl)c1)C(=O)c1cn(C)nc1C(F)(F)F 131423782 RZFMIRIXCXKWKA-UHFFFAOYSA-N 375.778 3.633 0 40 GHAB O=C(c1cc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c[nH]1)N1CCCC1 524245143 LPAUFLGHOBEKOV-OAQYLSRUSA-N 377.488 3.933 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3onc4c3C[C@@H](C)CC4)no2)cc1OC 46085597 SNFFYQXBPGABNM-NSHDSACASA-N 383.404 3.724 0 40 GHAB Cc1nc(CN2CCN(C(=O)/C=C/c3cccc4ccccc34)CC2)cs1 40087015 JCHPNQLSUNKIAS-MDZDMXLPSA-N 377.513 3.962 0 40 GHAB COc1ccc(CNC(=O)COc2cc(C)ccc2C(C)C)c(OC)c1OC 43835932 GKCARCUBKULBHZ-UHFFFAOYSA-N 387.476 3.839 0 40 GHAB O=C(Cc1noc2ccc(F)cc12)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 573187840 UFJKOKCKOMSIKW-QWFCFKBJSA-N 380.419 3.541 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 225059868 KODJZUMALQCSTB-KRWDZBQOSA-N 386.923 3.869 0 40 GHAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCCCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 253595715 HTMJBABCXCNWJE-VONVNUAUSA-N 382.504 3.734 0 40 GHAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1 1644374380 UWCUOUGEPKEZQF-OAQYLSRUSA-N 384.863 3.588 0 40 GHAB COc1ccc([C@@H]2CCN(C(=O)c3ccc4c(ccn4CCCN)c3)C2)cc1F 638767062 UXGVRTJBYVQEEF-LJQANCHMSA-N 395.478 3.768 0 40 GHAB C[C@@H](NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)[C@@H]1C[C@H](C(=O)O)C1(C)C 655898812 BUFCFOLUIFOCRW-ZFVVBOAOSA-N 394.899 3.558 0 40 GHAB COc1cc(-c2oc3cc(C)oc(=O)c3c2-c2c(O)cc(C)oc2=O)ccc1O 604404011 HYHOWWKBOLQBTO-UHFFFAOYSA-N 396.351 3.710 0 40 GHAB biogenic CCOc1ccccc1NC(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1 96099420 OBWZBOOUCRHQHK-UHFFFAOYSA-N 388.489 3.556 0 40 GHAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)c1F 390826576 ANZLCSDORJLYFK-MRXNPFEDSA-N 398.413 3.606 0 40 GHAB Cn1c([C@H]2CCCCN2C(=O)c2ccc([S@@](C)=O)cc2)nc2ccccc21 56132445 PCEFBOKTIBBPIX-WINIVTDRSA-N 381.501 3.678 0 40 GHAB CC(C)Cc1noc(CN2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)n1 71890545 YUWMJUQSKKNNGU-IBGZPJMESA-N 388.556 3.661 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)c1 655265007 FIRWPECRNFPMDW-UHFFFAOYSA-N 377.444 3.667 0 40 GHAB COc1ccc(CC(=O)OCc2cc(-c3ccc(F)cc3F)on2)cc1OC 11613693 APHHFQMNUHWULN-UHFFFAOYSA-N 389.354 3.923 0 40 GHAB CC(C)C(=O)N1CCC[C@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 12119442 NMQIBNHBPVOULJ-IBGZPJMESA-N 393.535 3.891 0 40 GHAB O=C(c1cccnc1)C1CCN(C(=O)c2ccc(Br)s2)CC1 12157083 WTPWVXMSXVSFJE-UHFFFAOYSA-N 379.279 3.641 0 40 GHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 14003352 YRUIMQVOQCAJAV-MRXNPFEDSA-N 378.428 3.924 0 40 GHAB COc1cccc(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)c1 17227858 YDWMYPKCNISUNG-UHFFFAOYSA-N 396.428 4.000 0 40 GHAB CCC(=O)N1CCC[C@@](Cc2ccccc2-c2ccncc2)(C(=O)NC(C)C)C1 19498677 YWJOQXBGSCCBHP-DEOSSOPVSA-N 393.531 3.835 0 40 GHAB O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)N1CC[C@H](c2nc[nH]n2)C1 570678097 CQIPWMXBFAIUFW-LBPRGKRZSA-N 394.306 3.732 0 40 GHAB O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 5533661 AYAKDXHPTOEADO-UHFFFAOYSA-N 381.453 3.776 0 40 GHAB O=C(NC[C@H](O)c1ccc(-n2cccn2)cc1)Nc1cccc(C(F)(F)F)c1 1888982151 HMCIJYGVHWUZNY-KRWDZBQOSA-N 390.365 3.746 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2C)c1 2720118 VSRXXLYIGBMSAK-UHFFFAOYSA-N 392.484 3.762 0 40 GHAB O=C(Nc1c(-c2ccccc2)nc2ncccn12)c1cc2ccccc2oc1=O 4033771 DETGGXQIEIBXFZ-UHFFFAOYSA-N 382.379 3.755 0 40 GHAB Cc1cc(C)c2sc(N(CCN(C)C)C(=O)COc3ccccc3)nc2c1 5121663 LLPDSSDPFQSOPN-UHFFFAOYSA-N 383.517 3.887 0 40 GHAB CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cccc(C)c3)cc21 9170578 XHMUHYMFUGLWEO-UHFFFAOYSA-N 388.489 3.567 0 40 GHAB COc1ccc(Cl)cc1C(=O)NCC1(c2ccc(F)cc2)CCOCC1 16971390 DLYMRTSWQSLYHJ-UHFFFAOYSA-N 377.843 3.966 0 40 GHAB Fc1cnc(N2CC[C@]3(CN(Cc4ccc(F)c(F)c4)CCC3(F)F)C2)nc1 2055806587 PIJYMUCYSNRKST-SFHVURJKSA-N 398.379 3.632 0 40 GHAB Cc1ccc(-c2ccc(N3CCN(Cc4sc(C)nc4C)CC3)nn2)cc1 1775975702 MNPSKFXDYWNMSA-UHFFFAOYSA-N 379.533 3.848 0 40 GHAB COC(=O)[C@H](CC(C)C)NC(=O)CCCOc1ccc(Cl)cc1Cl 2728838 BCHJRMMWMWZAJC-AWEZNQCLSA-N 376.280 3.856 0 40 GHAB O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)CC1 22241021 KYYRINIVQYRPIS-NVXWUHKLSA-N 390.474 3.856 0 40 GHAB Cc1ccc(C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1NC(=O)c1ccco1 24032669 PCGUPKYAXWTRJP-UHFFFAOYSA-N 389.415 3.683 0 40 GHAB Cc1ccc(Cc2cnc(NC(=O)CNC(=O)c3cccc(F)c3)s2)cc1 29793168 ZYDIMRPTUNNWGK-UHFFFAOYSA-N 383.448 3.550 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n1 40086553 MLTKSOKWNZYIOF-OAHLLOKOSA-N 378.259 3.940 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)Cc2c(C)nn(C)c2C)cn1 40090819 MRZZPXNNFGMTKW-UHFFFAOYSA-N 380.448 3.722 0 40 GHAB Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2F)cc1S(N)(=O)=O 40106478 CUGKGQFAKACKFD-UHFFFAOYSA-N 384.432 3.701 0 40 GHAB O=C(CS(=O)(=O)c1ccc2ccccc2n1)Nc1ccc(C(F)(F)F)cc1 40152107 WIMUWBQHTWERGR-UHFFFAOYSA-N 394.374 3.666 0 40 GHAB CCOc1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)cc1 100619316 RWJJYGOJZYGABX-LYBGUNNDSA-N 396.487 3.534 0 40 GHAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(F)cc1 2414267 LUQDBHPHTJOAGZ-FQEVSTJZSA-N 394.446 3.819 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2c(c1=O)S[C@@H](C)C2 4107922 DPIYGJLWNZWVPY-JTQLQIEISA-N 395.937 3.684 0 40 GHAB CN1CCC(N2C[C@@H]3C[C@H](C2)c2ccc(-c4ccc(Cl)cc4)c(=O)n2C3)CC1 4237294 HAEDNNBXWOZRJM-FUHWJXTLSA-N 397.950 3.682 0 40 GHAB biogenic,in-vitro Cc1ccc(C(=O)COC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C)N3)c(C)c1 51353955 CSRZCTUPHDIQMJ-LRDDRELGSA-N 395.381 3.847 0 40 GHAB CC(C)c1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OCc4ccccc4)CO[C@H]23)cc1 4260436 FSRDGLJJWROORM-DXBBTUNJSA-N 396.487 3.683 0 40 GHAB biogenic,in-vitro COc1ccc(C(=O)Cn2c(=O)n(C3CCCCC3)c(=O)c3ccccc32)cc1 4905435 URHOUKBXNYHVQZ-UHFFFAOYSA-N 392.455 3.560 0 40 GHAB COc1ccccc1NC(=O)COc1ccccc1-n1cnnc1-c1ccco1 6678064 OQIXXCAOAWNWRD-UHFFFAOYSA-N 390.399 3.553 0 40 GHAB CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3cccc(F)c3)cc21 6794746 IFCRUGJMKIVPQJ-UHFFFAOYSA-N 396.466 3.834 0 40 GHAB COc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c(OC)c1 6948445 DWGJXOCTIBWJGJ-UHFFFAOYSA-N 376.840 3.506 0 40 GHAB CCOc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc12 6961897 KXEBFSRFYOUVNR-AQTBWJFISA-N 378.428 3.643 0 40 GHAB CCOc1cccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1O 6964903 DBOIHLWLTIZPRU-LICLKQGHSA-N 380.425 3.899 0 40 GHAB Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)cc1 100664306 OVUWNCFGSFNZFK-VXAPCQRLSA-N 398.462 3.805 0 40 GHAB COC(=O)c1ccc2c(O)nc(CN(C)[C@H](C)c3ccc(Cl)cc3)nc2c1 32777531 CXBBFWMHUSSVIJ-GFCCVEGCSA-N 385.851 3.968 0 40 GHAB COc1ccc(OC[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 10543587 AJYCLKLBPRCBAT-LLVKDONJSA-N 390.288 3.748 0 40 GHAB CCN(CC)CCn1c(NC(=O)c2cc(OC)cc(OC)c2)nc2ccccc21 10653115 CQBFJKXCVJGRSW-UHFFFAOYSA-N 396.491 3.648 0 40 GHAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 10889787 OGJKWOSRVFSADE-IAGOWNOFSA-N 395.532 3.589 0 40 GHAB Cc1cccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1C 102593476 SGZZGWCHNXXSKY-RTBURBONSA-N 375.424 3.978 0 40 GHAB O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCCc1ccccc1 41253773 VJSUYZPPGXHUJQ-UHFFFAOYSA-N 395.890 3.703 0 40 GHAB COc1ccc(OCCOC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1 32936229 GVFKVSVFOKHKSM-QZTJIDSGSA-N 399.487 3.540 0 40 GHAB COC(=O)c1sccc1NC(=O)CCc1c(C)c2ccc(C)cc2oc1=O 21758633 AMPKTNBZRXPGSB-UHFFFAOYSA-N 385.441 3.829 0 40 GHAB CCOc1ccc2nc(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)sc2c1 694670 NNYIRDJOXSCVJS-QGZVFWFLSA-N 386.429 3.993 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3C)n2C)c1 679536 LSRZWJOSPQQUJZ-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1OC[C@@H]1CCCO1 22692622 HMEFYLYEBVQDRN-ICSRJNTNSA-N 398.503 3.794 0 40 GHAB Cc1nc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc1-c1ccccn1 23502290 DGHVASCOBMSGOZ-HNNXBMFYSA-N 396.497 3.955 0 40 GHAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cccc(-n2cccc2)c1 12517619 MMGGHXSYCRAEAH-IBGZPJMESA-N 389.455 3.638 0 40 GHAB CCc1ccc2c(CC(=O)NCC3(N4CCOCC4)CCCCC3)coc2c1 23718278 KABDUEAGKLONJB-UHFFFAOYSA-N 384.520 3.689 0 40 GHAB CC(C)=CCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O 89914114 QCUVSQKXPWBZCA-SFHVURJKSA-N 397.397 3.701 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 12592991 DOYFTAVYAYHOBY-UHFFFAOYSA-N 378.881 3.596 0 40 GHAB CCOc1cccc(NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)c1 113972396 JPEXWXUNFMXYRU-UHFFFAOYSA-N 376.478 3.514 0 40 GHAB Cc1cccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1O 3288480 YSQRHCNWIXHDOT-UHFFFAOYSA-N 388.729 3.563 0 40 GHAB CCOC(=O)c1c(NC(=O)C(C)C)sc2c1C[C@H](P)S[C@@H]2P 26805970 CMKKEARQDULPNP-CLAHSXSESA-N 377.408 3.884 0 40 GHAB Cc1cc(SCC(=O)OCC(=O)N2CCc3ccccc32)nc2ccccc12 12604054 GQJZGIHSEFPLBP-UHFFFAOYSA-N 392.480 3.768 0 40 GHAB C[C@H](N[C@H](C)c1ccc2c(c1)CCCC2)C(=O)NCc1ccc2c(c1)OCO2 57380600 AQCCQJBELZPLRW-CVEARBPZSA-N 380.488 3.650 0 40 GHAB Cc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc12 2091758 GTOLAYWQOXJWNT-KRWDZBQOSA-N 389.448 3.865 0 40 GHAB biogenic Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)CC(C)(C)c1ccccc1 58181941 GSRMSLAJKHJJCV-HNNXBMFYSA-N 379.508 3.546 0 40 GHAB Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 408672212 MKJZNIUEYGAASH-LVNJIZSUSA-N 386.451 3.867 0 40 GHAB CN(C[C@@H]1CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 58142802 WDYPRGTZQBYCBO-QFIPXVFZSA-N 391.515 3.550 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)c1C 3375673 GZVMNMKAGAAKHE-UHFFFAOYSA-N 390.439 3.911 0 40 GHAB O=C(C[S@](=O)Cc1ccc(Cl)cc1Cl)N1CCc2sccc2C1 58202306 DYKALBMOBIJSLS-QHCPKHFHSA-N 388.341 3.889 0 40 GHAB OCCSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccccc1 12770462 DVSMATQRVFASFG-UHFFFAOYSA-N 375.881 3.643 0 40 GHAB CCOc1ccc2nc(NC(=O)[C@@H](C)NC(=O)/C=C/c3ccccc3)sc2c1 12740800 FDLQYGBUTFUKCH-BRADTZPFSA-N 395.484 3.852 0 40 GHAB COc1ccc2cnn(-c3ccc(OC(F)(F)Cl)cc3)c(=O)c2c1OC 2352001 KTHPWRTWWNFJPC-UHFFFAOYSA-N 382.750 3.571 0 40 GHAB Cc1cccc(OC[C@H](O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 12971521 OKZTXHLEVGAXEY-QGZVFWFLSA-N 392.480 3.873 0 40 GHAB COc1cc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc(OC)c1 12927907 YZSBSUQFKMMNSE-CMDGGOBGSA-N 394.471 3.594 0 40 GHAB C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(Cl)c(Cl)c1 12992916 GJMFABCYFAHBRE-GFCCVEGCSA-N 380.275 3.716 0 40 GHAB CSc1cccc(N2C[C@@H](C(=O)NC34CC5CC(CC(C5)C3)C4)CC2=O)c1 16022379 JSGLMWVYACFBHA-ATFGOMPUSA-N 384.545 3.846 0 40 GHAB CSc1ccc([C@@H]2[C@H]3C(=O)N(CC(C)C)C(=O)[C@H]3ON2c2ccccc2)cc1 17888768 LCXVJDNUTWFYDK-AQNXPRMDSA-N 396.512 3.911 0 40 GHAB COc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1NC(C)=O 13041436 QMQYUAKZZYWNQG-UHFFFAOYSA-N 389.260 3.761 0 40 GHAB C[C@H]1C(c2ccccc2)=NO[C@@](C)(C(=O)c2ccc(Br)cc2)N1O 7974796 XYYVAPJVQWLUIM-SGTLLEGYSA-N 389.249 3.862 0 40 GHAB O=C(OCc1nc2ccccc2c(=O)[nH]1)c1ccc(COc2ccc(F)cc2)o1 16617401 NONPELMRQUPYTE-UHFFFAOYSA-N 394.358 3.591 0 40 GHAB C[C@]12CN(Cc3ccccc3)C[C@](C)(CN(C(=S)Nc3ccccc3)C1)C2=O 13739143 OGIYZXGYFAIORO-ZRZAMGCNSA-N 393.556 3.797 0 40 GHAB Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)[C@H](C)Oc1ccccc1 39983356 XNTOJVNPNUVXMT-KRWDZBQOSA-N 382.460 3.544 0 40 GHAB Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 18194703 TZRZERHBURAQLI-UHFFFAOYSA-N 394.452 3.736 0 40 GHAB CN1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CC1 65616543 UEKAVLGQGFYLGK-UHFFFAOYSA-N 393.256 3.768 0 40 GHAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 6648067 VIWWQXIUNVWOAU-UHFFFAOYSA-N 398.463 3.762 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)nc2n1 14698733 NDBUTNQRNCAMBA-UHFFFAOYSA-N 384.852 3.770 0 40 GHAB CC(C)n1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1-c1ccco1 4736111 HMCMVIPLNAIJRZ-UHFFFAOYSA-N 390.494 3.579 0 40 GHAB COC(=O)c1ccccc1NC(=S)N1CCN(c2cc(C)ccc2C)CC1 4767803 WPXVQFXVQQAJRV-UHFFFAOYSA-N 383.517 3.609 0 40 GHAB Cc1cc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)ccc1F 67298801 RVLKXEYDGDBXSM-QEQSUZCXSA-N 396.418 3.727 0 40 GHAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C 7051181 SIKSZMOXZPEKRQ-UHFFFAOYSA-N 376.478 3.688 0 40 GHAB COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1 409102704 FAOFEKXMGBDRCO-UHFFFAOYSA-N 377.828 3.992 0 40 GHAB CCN(c1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1)S(C)(=O)=O 20036673 MJIZWKBUHVMTGT-HXUWFJFHSA-N 388.533 3.990 0 40 GHAB CC(C)(C)C(=O)NCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 8727788 GUVUDMGGVHQXQF-UHFFFAOYSA-N 396.310 3.673 0 40 GHAB O=S(=O)(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccccc1F 78611214 XMAOUGHTKBSCMH-UHFFFAOYSA-N 396.915 3.670 0 40 GHAB Cc1ccc(C)n1-c1nc2ccc(C(=O)NCCCn3ccnc3)cc2s1 9421647 RFVREDNUHHAFDG-UHFFFAOYSA-N 379.489 3.720 0 40 GHAB Cc1nc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)sc1CC(N)=O 9579166 MPXAHILXMQXVMU-IACUBPJLSA-N 384.567 3.575 0 40 GHAB CCC(CC)(CNC(=O)Cc1cccc2cccnc12)NC(=O)OC(C)(C)C 78950784 MWCCHWNAEJHWKH-UHFFFAOYSA-N 385.508 3.977 0 40 GHAB CCc1nc(C)sc1C(=O)/N=c1/[nH]c(C(=O)OC)c(-c2ccccc2)s1 72402214 AZJKQGGTBWJYFE-UHFFFAOYSA-N 387.486 3.598 0 40 GHAB CN1C(=O)C[C@@H](N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2)C1=O 79193765 XLPCOGPJUAAQEN-NQIIRXRSSA-N 393.874 3.526 0 40 GHAB biogenic Cc1noc(C)c1[C@@H]1SCC(O)=Nc2c1c(C)nn2-c1ccc(C(=O)O)cc1 79481624 FBFXIHUSUZITOH-KRWDZBQOSA-N 398.444 3.908 0 40 GHAB CCOC(=O)Nc1ccc(NC(=O)NC2(CC(=O)OC)CCCCC2)cc1 95460866 BSMHDSILJSLNQA-UHFFFAOYSA-N 377.441 3.643 0 40 GHAB CC(C)(C)c1nc(CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)no1 95949422 GQWFZOJEYDISOZ-UHFFFAOYSA-N 389.452 3.902 0 40 GHAB Brc1cc2c(cc1CN1CCO[C@@H]3CCCC[C@@H]31)OCCCO2 95992446 WNHIANVZWXALMM-JKSUJKDBSA-N 382.298 3.754 0 40 GHAB CN(C)c1nnc(-c2ccc(NC(=O)CSc3ccc(F)c(F)c3)cc2)o1 89326980 NXFLJVITUDSUCT-UHFFFAOYSA-N 390.415 3.812 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1 408681892 VEZQDCLASWPNMK-TYOLEZHBSA-N 378.516 3.928 0 40 GHAB CN1CCN(Cc2ccco2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306136774 QCWDXKIBPXIIOW-NRFANRHFSA-N 391.450 3.617 0 40 GHAB CC(C)COc1ccc(C(=O)Nc2ccc(I)cn2)cc1 408619353 BKDZTBRNVGCHHH-UHFFFAOYSA-N 396.228 3.973 0 40 GHAB Cc1cc(C)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1Br 529070277 UOLGUPQNJSQEAH-GPAUDHNESA-N 385.327 3.583 0 40 GHAB O=C(NCCCN1CCCCC1)C1CCN(Cc2cccc(Cl)c2)CC1 39745516 QBEOMJUEWPLTGB-UHFFFAOYSA-N 377.960 3.544 0 40 GHAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 44845467 GPEVKRMHMJNAJC-HNNXBMFYSA-N 390.505 3.612 0 40 GHAB Cc1cc(NC(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)cc2n[nH]cc12 565293609 VUPGVWFEPXALLW-NRFANRHFSA-N 376.416 3.513 0 40 GHAB COc1ccccc1NC(=O)CS(=O)(=O)Cc1ccc(C(C)(C)C)cc1 40070040 SWSXSYBDQASNBV-UHFFFAOYSA-N 375.490 3.546 0 40 GHAB COC(=O)c1cccc(NC(=S)NCCOc2ccccc2Cl)c1C 225780121 BDKDPNNQCWAZHM-UHFFFAOYSA-N 378.881 3.800 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cn1 566897818 VLURKDBMQVDXNU-XMTFNYHQSA-N 393.443 3.608 0 40 GHAB Cc1ccc(OCCNC(=O)CCc2ccc3c(c2)OCCO3)cc1Cl 224182128 HIOQLTFVMITOLT-UHFFFAOYSA-N 375.852 3.547 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(C)cc(C)c3)c(Cl)cc21 223361991 RPFGHZSOPOESNB-UHFFFAOYSA-N 380.853 3.685 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccccc1 223224775 LSZXACLVHYFPOM-FQEVSTJZSA-N 386.467 3.538 0 40 GHAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 44786677 VTTUTFWIYNFZEL-UHFFFAOYSA-N 388.471 3.728 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCCOc1ccc(C)c(C)c1)CCCC2 225179672 SWEJHIHBRZMNNL-UHFFFAOYSA-N 389.517 3.548 0 40 GHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1CCc2ccccc2C1 225734244 XZMHLHPYGQVPON-IBGZPJMESA-N 392.543 3.897 0 40 GHAB COc1ccc(-n2cccc2CNC(=O)c2ccc3c(c2)nc(Cl)n3C)cc1 222560925 MOYHCHMTSKTACD-UHFFFAOYSA-N 394.862 3.956 0 40 GHAB Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1 225240641 ZYYKQRHHFVNMQI-UHFFFAOYSA-N 384.501 3.712 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1 224237312 NIIWNNKVVBNYOA-UHFFFAOYSA-N 394.924 3.859 0 40 GHAB CC(C)[C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 40143463 SUYAARUIWXRJGS-LBPRGKRZSA-N 393.281 3.998 0 40 GHAB COc1ccc(CN(C(C)=O)[C@H](C(=O)NCc2ccco2)c2ccccc2)cc1 223542414 IJWDQVAWCMVHOA-QFIPXVFZSA-N 392.455 3.694 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCCCC2)cc(N2C[C@H](C)C[C@@H](C)C2)n1 225888148 VDOLQEMIXSBYAB-HZPDHXFCSA-N 390.601 3.644 0 40 GHAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)COc1ccc(F)cc1 222786452 KYYMAMBERIWLRX-UHFFFAOYSA-N 375.787 3.567 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)cc1 225490876 CRPVTQYUOMNBJU-IBGZPJMESA-N 396.531 3.878 0 40 GHAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238967821 ZCZFYLUCUDLLIP-MRVPVSSYSA-N 384.745 3.853 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)cc1OC 243699247 PLQGOXJPAHLNCU-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB O=C(NCCSc1c[nH]c2ccccc12)c1ccnc(O[C@@H]2CCSC2)c1 252572612 ZMRHOYIPWBIWDW-OAHLLOKOSA-N 399.541 3.969 0 40 GHAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 257291713 QIHYOIQIBJECQL-DNVFCKCGSA-N 383.511 3.989 0 40 GHAB COC(=O)C1(CNC(=O)N[C@@H](C)c2ccccc2Br)CCCC1 610592493 YEQDQKCCPJNXNO-LBPRGKRZSA-N 383.286 3.543 0 40 GHAB O=C1[C@@H]2C[C@H](C3CCCCC3)CN2C(=O)N1[C@@H]1CCO[C@H](c2cccnc2)C1 642955490 XETCQNIZJQNNQJ-YRPNKDGESA-N 383.492 3.535 0 40 GHAB CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cc(C)c(C)o1)C2 585106590 CHJSUQPTWPGVQP-QFIPXVFZSA-N 376.460 3.663 0 40 GHAB CCCC(=O)Oc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC 5000715 QZWCHJKTADAAJR-SFQUDFHCSA-N 395.411 3.754 0 40 GHAB Cc1ccc(-n2nnnc2CC2N(c3ccccc3)CCN2c2ccccc2)cc1 5218359 DVCZNIOSYRBRBB-UHFFFAOYSA-N 396.498 3.866 0 40 GHAB Cc1cccc(NC(=S)NNC(=S)Nc2ccc(OC(F)F)cc2)c1 16266978 IPJILJVIPLNNQB-UHFFFAOYSA-N 382.461 3.784 0 40 GHAB Cc1cccc(OC[C@@H]2CCCN(C(=O)[C@H](C)Oc3ccc4c(c3)OCO4)C2)c1 19235155 KBKZBAXJKWAPEY-ZWKOTPCHSA-N 397.471 3.809 0 40 GHAB Cc1nc([C@@H]2CCCN2C(=O)C[C@@H]2C=CCC2)[nH]c(=O)c1Cc1ccccc1 19579201 BWJXRTSGRFDDKW-QUCCMNQESA-N 377.488 3.689 0 40 GHAB COc1ccc(S(=O)(=O)Oc2ccc(Cl)c(Cl)c2)cc1NC(C)=O 19680843 BEYYOGNNYFLCAL-UHFFFAOYSA-N 390.244 3.728 0 40 GHAB Cc1cc(N2CCC[C@@H]2c2cc(CN(C)C)n(C)n2)nc(-c2ccccc2)n1 19709084 DXOSOBRXOLIUFE-HXUWFJFHSA-N 376.508 3.589 0 40 GHAB Cc1nc([C@@H]2CCN(C(=O)C(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19766159 CXYOVZCUCWSXJM-CQSZACIVSA-N 386.883 3.663 0 40 GHAB CCOC(CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)OCC 2565108 LZPHNYBBVZMAQA-UHFFFAOYSA-N 377.506 3.898 0 40 GHAB Cn1cc(-c2cc(C(=O)Nc3nc4c(s3)C[C@@H](C(C)(C)C)CC4)no2)cn1 19082505 RTOCMCGKWOUWGF-LBPRGKRZSA-N 385.493 3.935 0 40 GHAB CC1(C)C[C@]2(CCCN2C(=O)CCCn2cccn2)CN1c1ccc(F)cc1 2037978015 JERYEQOELSNWAF-JOCHJYFZSA-N 384.499 3.853 0 40 GHAB C[C@]1(Cc2ccccc2F)Cc2cc(C(=O)N3CCC(CO)CC3)ccc2O1 2037875643 YTVPKILZZTVULC-QHCPKHFHSA-N 383.463 3.607 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H]2CCN(Cc3ccsc3)C2)c1C 1565523764 VBYKXMBQTGTHAV-GOSISDBHSA-N 378.563 3.535 0 40 GHAB COc1ccccc1NC(=S)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 4033723 PLWJMBPELXINPO-LJQANCHMSA-N 382.464 3.902 0 40 GHAB Cc1cc2cc(CNC(=O)N[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)ccc2[nH]1 4373241 CUJHTMMDJLUMJY-IBGZPJMESA-N 390.487 3.698 0 40 GHAB O=C(CSc1nnc(-c2cccs2)n1-n1cccc1)Nc1ccccc1 4586023 PZIFLBOWWMXYRU-UHFFFAOYSA-N 381.486 3.850 0 40 GHAB CCOc1cccc2sc(NC(=O)c3cccc(S(=O)(=O)CC)c3)nc12 5241306 VIWZGDZMASJDHK-UHFFFAOYSA-N 390.486 3.741 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2-n2cccc2)c1 5242394 QYIILACXYNBYDK-UHFFFAOYSA-N 393.472 3.999 0 40 GHAB CSc1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 5438488 OVYSDLNVBZWALU-UHFFFAOYSA-N 376.503 3.591 0 40 GHAB COc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1OC 7574178 MZZZNVDUNYOLOU-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB COc1cccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)c1 13695116 HIMUPJKXYYDISX-UHFFFAOYSA-N 394.471 3.792 0 40 GHAB Cc1ccc2nc(C)c(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)n2c1 13707860 CSPSTYDPYMFCRZ-UHFFFAOYSA-N 392.337 3.854 0 40 GHAB O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1ncc(-c2ccccc2)o1 38754895 GBWOLYLJSNMMBJ-UHFFFAOYSA-N 389.367 3.655 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 8190304 TZXNRUIVKVZLPV-UHFFFAOYSA-N 386.455 3.598 0 40 GHAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(N2CCCCC2)cc1 11272654 YYPQTNGCSDDXNH-UHFFFAOYSA-N 377.448 3.693 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C[C@H](O)CO[C@@H]1CCCc2ccccc21 8188148 JEHCCWYNWXBJMQ-RBBKRZOGSA-N 397.515 3.735 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)cc1C 894642 ALCMIBREZKSRPE-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)N2C(=O)[C@@H](C)SC2=N1 2463328 LFFLCFDLZGJMTJ-WBMJQRKESA-N 376.453 3.674 0 40 GHAB Cc1ccc2cc(CN(CCCO)C(=S)Nc3ccccc3)c(=O)[nH]c2c1C 4126936 LJUGESSMHYYARY-UHFFFAOYSA-N 395.528 3.726 0 40 GHAB COC(=O)c1c(C)[nH]c(-c2cccc(OC)c2)c1[C@@H]1C(=O)Nc2ccccc21 32123761 HTVNCYJASBKGNX-GOSISDBHSA-N 376.412 3.869 0 40 GHAB biogenic Cc1cc2c(cc(C(=O)O[C@H](C(=O)NC(C)(C)C)c3ccccn3)n2C)s1 4924415 XQDPPIVGLWXEMG-KRWDZBQOSA-N 385.489 3.756 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)cc1 6377459 GISDBAUPUKIDQM-UHFFFAOYSA-N 390.505 3.514 0 40 GHAB CC(C)n1nccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 7763762 WNELGVHSCSXWCD-UHFFFAOYSA-N 388.522 3.850 0 40 GHAB CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 101643090 NPKSRRLHKRFYKA-XMMPIXPASA-N 383.451 3.626 0 40 GHAB Cc1ccc(Nc2oc3c(c2-c2ccccc2F)c(=O)n(C)c(=O)n3C)c(C)c1 11615579 VDJOVCXWCQWSTJ-UHFFFAOYSA-N 393.418 3.997 0 40 GHAB Cc1ccc(SCc2cc(=O)c3c(=O)n(-c4ccc(F)cc4)[nH]c3[nH]2)cc1 8020767 NIPMOQVQWDXTKE-UHFFFAOYSA-N 381.432 3.747 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810169 HOVCPUGLARBWSV-LLVKDONJSA-N 384.860 3.808 0 40 GHAB CCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810744 COKFAMQUHDNTBE-UHFFFAOYSA-N 382.432 3.686 0 40 GHAB Cc1ccc(Nc2nnc(SCC(=O)NC(=O)C3CCCCC3)s2)cc1 2658296 VMVQWMABYHJWBL-UHFFFAOYSA-N 390.534 3.905 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)c(Br)c1 32926340 GRSNWGIPZAIBQR-UHFFFAOYSA-N 390.280 3.626 0 40 GHAB CCOC(=O)c1c(NC(=O)CN2CCC(C)CC2)sc2c1CC[C@@H](C)C2 710242 LBJGYODXAYQBER-CQSZACIVSA-N 378.538 3.720 0 40 GHAB CCCN(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1nnc(-c2ccco2)o1 8243438 UATCPPBWSMBQFS-GOSISDBHSA-N 394.475 3.735 0 40 GHAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccc2c(c1)OCCO2 8225942 VFHCATDTLIIDSW-LBPRGKRZSA-N 378.831 3.709 0 40 GHAB Cc1ccc2nc(COC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cn2c1 8251273 IOWYFECWOALQRY-UHFFFAOYSA-N 383.835 3.780 0 40 GHAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(CN2CCCC2)cc1 8211162 YWWALXALIBWJSZ-UHFFFAOYSA-N 393.516 3.594 0 40 GHAB CSc1nnc(CCCCCN2C(=O)c3cccc4cccc(c34)C2=O)o1 54363672 OLQRJYOQIQIYPI-UHFFFAOYSA-N 381.457 3.954 0 40 GHAB CSc1cccc(NC(=O)Cn2c(SC)nc3ccsc3c2=O)c1 57505047 QHDMVETVXQQNFS-UHFFFAOYSA-N 377.516 3.541 0 40 GHAB CCn1c(SC[C@H]2CN(CC(C)C)CCO2)nc2sc(C)c(C)c2c1=O 23674770 CDIBYMSXSRSNDF-OAHLLOKOSA-N 395.594 3.544 0 40 GHAB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccco2)n2c1nc1ccccc12 20638239 NQZJXEVGKNJOOX-ZWKOTPCHSA-N 381.432 3.545 0 40 GHAB Cn1ccnc1[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(F)cc1 8216113 KXBXCDZIHXMQHQ-JOCHJYFZSA-N 389.430 3.997 0 40 GHAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 57024573 PPWPPTSTHDTUNP-IBGZPJMESA-N 393.531 3.964 0 40 GHAB O=c1ccc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)nc3)ccc2o1 57119112 QONYMUAODUXSTG-UHFFFAOYSA-N 394.408 3.781 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1ccccc1Br)c1ccccc1F 12629569 SBVDTGWBEGKUSB-MRXNPFEDSA-N 388.240 3.841 0 40 GHAB COC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1CC(=O)OC 12600731 ONDGBAVPSISECI-UHFFFAOYSA-N 396.468 3.655 0 40 GHAB COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(OC)c1OC 12611767 QFFQWIXVIAAUID-MRXNPFEDSA-N 381.432 3.566 0 40 GHAB O=C(C[S@](=O)Cc1cccc(C(F)(F)F)c1)N1CCc2sccc2C1 58224300 PBWBCCJNLSDJBH-VWLOTQADSA-N 387.448 3.601 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 3388016 KHHVRAPUNBUIPD-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB CCOCCCNC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2349248 DPSNCCSILKVUAM-UHFFFAOYSA-N 395.507 3.828 0 40 GHAB O=C(CCNC(=O)c1ccsc1)OCC(=O)c1ccc(Cl)cc1Cl 45395897 DMSNKVSIMFTKEP-UHFFFAOYSA-N 386.256 3.601 0 40 GHAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1cc(Cl)c(Cl)cc1Cl 3373951 LRCVIICLPHONFR-UHFFFAOYSA-N 382.638 3.939 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl 12864518 FPWGOKFXSPVIKF-DOMZBBRYSA-N 386.323 3.559 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Oc3ccccc3Cl)C2)s1 12880106 MBVDTBPSCMXENV-CYBMUJFWSA-N 399.921 3.716 0 40 GHAB COCCCn1c(C)cc(C(=O)COc2ncnc3sc4c(c23)CCC4)c1C 3444523 RTSRYABGEQCUHH-UHFFFAOYSA-N 399.516 3.897 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 12922723 DPAHDRMUDULPOD-OWCLPIDISA-N 377.362 3.765 0 40 GHAB Cc1cccc(NC(=O)[C@H](C)SCc2cccc(S(=O)(=O)N(C)C)c2)c1 13012728 SSRCEFKYXITSKY-HNNXBMFYSA-N 392.546 3.506 0 40 GHAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NC[C@H]4CCCO4)c(C)c32)c1C 4089362 PQEUWLDLHLRDJW-OAHLLOKOSA-N 383.444 3.611 0 40 GHAB biogenic C[C@@H](N[C@H](CC(=O)c1ccc(Br)cc1)C(=O)O)c1ccccc1 4118516 PBAINNIDDTZARI-MLGOLLRUSA-N 376.250 3.826 0 40 GHAB COc1ccc(C2=NN(C(=O)c3ccccc3)[C@]3(C2)C(=O)Nc2ccccc23)cc1 13629733 GAAPPZHQEBLIRT-DEOSSOPVSA-N 397.434 3.793 0 40 GHAB CCCc1c(C(=O)OCC)nnc2c(-c3ccc(OC)c(OC)c3)c(CC)nn12 20633779 VZBHIVCROIWXFG-UHFFFAOYSA-N 398.463 3.500 0 40 GHAB O=C(OC1(c2ccccc2Br)CC1)c1ncn(-c2ccccc2)n1 91885660 DDGWTTACGPNGPT-UHFFFAOYSA-N 384.233 3.876 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc(F)cc2Cl)nc(N2CCC[C@@H](C)C2)n1 65101743 KWFLXUBGEVKPDX-GFCCVEGCSA-N 392.862 3.831 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(Cl)cc1OC 409243548 SIADXKOHQHWSLI-CXUHLZMHSA-N 386.835 3.840 0 40 GHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nn3cnnc3s2)cc1 6322393 UPEQBPHYBPGFTR-UHFFFAOYSA-N 385.836 3.524 0 40 GHAB Cc1nc(C)c(C(=O)OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)s1 6366850 SANKUMCEEREKDE-USPTXHSUSA-N 376.522 3.638 0 40 GHAB CC(C)C[C@@H](C(=O)N[C@H]1CCc2ccccc21)N1C(=O)c2ccccc2C1=O 14186583 RCJAWWSLBVEDHQ-PMACEKPBSA-N 376.456 3.501 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(N)cc3)n2CC)cc1 4675892 RNOAMQMBSOAZIU-UHFFFAOYSA-N 381.505 3.840 0 40 GHAB O=C(CSc1nnc(Nc2ccccc2F)s1)NCc1cccs1 6788671 MSSNINVYGPDYLX-UHFFFAOYSA-N 380.495 3.891 0 40 GHAB COc1ccc(C(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)cc1 8726171 QRHIXCRRYBLDMQ-UHFFFAOYSA-N 386.521 3.833 0 40 GHAB Cc1ccc(NC(=O)COCC(=O)N[C@H](C)CCc2ccccc2)cc1Cl 9095083 NHUWGBIIXZDYNL-MRXNPFEDSA-N 388.895 3.741 0 40 GHAB O=S(=O)(c1ccc(-c2csc(NC3CC3)n2)cc1)N1CCCCCC1 7274817 UFBQGGHCEJVGMI-UHFFFAOYSA-N 377.535 3.949 0 40 GHAB O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(C(F)(F)F)cc1 7798423 ZPVKOBLQWNFVBL-UHFFFAOYSA-N 379.306 3.954 0 40 GHAB COc1ccc(Nc2ccccc2NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 7780187 NFZAVCALXNYROM-UHFFFAOYSA-N 388.431 3.746 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1ccccc1Cl 7823972 CQWCXVFVHDNADE-UHFFFAOYSA-N 383.879 3.897 0 40 GHAB CCCn1c(C)cc(C(=O)CSc2nnnn2Cc2cccs2)c1C 8075937 QOFJGVBMTGQNGH-UHFFFAOYSA-N 375.523 3.586 0 40 GHAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1occc1-c1ccccc1 96007029 SNZKIHUFUIKISS-OAQYLSRUSA-N 390.483 3.833 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccccc2)cc1 24606017 OZMGNASDLUZQAB-UHFFFAOYSA-N 398.459 3.968 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CCN3C(=O)C2CC2)cc1OC 19819476 GODBBDSPLXFWCO-UHFFFAOYSA-N 394.471 3.574 0 40 GHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccccc1N1CCCC1=O 9502941 CMLTWYBGQOLBIV-UHFFFAOYSA-N 383.536 3.732 0 40 GHAB CC(=O)c1ccc(C(=O)NCCc2ccc(I)s2)cc1 78877778 RKQVBWGGRBHPHT-UHFFFAOYSA-N 399.253 3.528 0 40 GHAB CS[C@H]1CC[C@H](N(C)C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C1 78934048 RXOGAPUHVVBRAB-PMACEKPBSA-N 388.577 3.600 0 40 GHAB CC(C)[C@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)N1Cc2ccccc2C1=O 72325074 PLBGRTARFGWPOC-JOCHJYFZSA-N 387.483 3.733 0 40 GHAB biogenic O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCN(CC2CC2)CC1 84398252 FARZCMFMJPBMII-UHFFFAOYSA-N 389.971 3.543 0 40 GHAB COc1ccccc1C(=O)NC(=S)Nc1ccc(Br)cc1F 408624863 CUBIDJSUSAQMKL-UHFFFAOYSA-N 383.242 3.724 0 40 GHAB CSc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)N(C)CCN(C)C3)cc1 95992841 UMZRUZCMFQQNEI-OAHLLOKOSA-N 385.533 3.696 0 40 GHAB CCCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccccn1 35312265 JTHSBXFUQOORJO-HNNXBMFYSA-N 393.516 3.820 0 40 GHAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)[C@@H]1CCCN(c2cnccn2)C1 32803719 ZGJISFDTTHTTCI-MRXNPFEDSA-N 399.926 3.975 0 40 GHAB O=C(NCc1ccccc1)c1nc(-c2ccnn2C2CCCC2)n2ccncc12 306138010 RMNZRJYFENKCJX-UHFFFAOYSA-N 386.459 3.638 0 40 GHAB CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 539170337 PVGUUBFQLKFUOD-OAHLLOKOSA-N 392.459 3.591 0 40 GHAB COc1ccc(Nc2nc(C(=O)N[C@@H](CO)c3ccccc3C)cs2)cc1 539983550 RXOSXGQTEIHXCX-KRWDZBQOSA-N 383.473 3.667 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1ccc2ncccc2c1 79478742 OEHUVVJVIIHGPJ-LJQANCHMSA-N 396.472 3.727 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1cccs1 56945824 QCOMHLXUCMKTKK-GOSISDBHSA-N 399.491 3.774 0 40 GHAB CCn1cc(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cn1 72376666 OHQLYVOXTBMCML-HXUWFJFHSA-N 390.535 3.806 0 40 GHAB COc1cccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccc(F)cc2)CC(=O)N3)c1 66087442 HBJHHYRKGDDQLI-MRXNPFEDSA-N 380.375 3.797 0 40 GHAB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)[nH]2)c1 216036122 OIZAPKBVWGCSHY-UHFFFAOYSA-N 398.488 3.837 0 40 GHAB Fc1cccc(-c2ccc(CN3CCn4c(nnc4C4CCNCC4)C3)cc2)c1 72372117 ODMSDFSQWUSQNY-UHFFFAOYSA-N 391.494 3.567 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 223238722 ZHQZTCYOCAQKLE-SFHVURJKSA-N 376.859 3.575 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)cc1 226862060 KJOHXRKSZXUGKR-UHFFFAOYSA-N 381.453 3.916 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 225347767 URSDWHDTLNUSEV-MSOLQXFVSA-N 382.504 3.570 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 220146885 KJLUTYSOUXXFMG-ROUUACIJSA-N 388.533 3.644 0 40 GHAB CCOC(=O)c1cn(Cc2ccccn2)c2ccc(C(F)(F)F)cc2c1=O 199787807 JNKWMGIEQAMBOQ-UHFFFAOYSA-N 376.334 3.640 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSc1ccccc1 224594810 NLGOTFOQJKNOJY-HXUWFJFHSA-N 384.545 3.765 0 40 GHAB COc1ccc(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C 222782859 DCLAREOLUDTQAN-UHFFFAOYSA-N 385.851 3.956 0 40 GHAB Cn1c([C@H](O)[C@@H](O)c2nc3ccc(Cl)cc3n2C)nc2ccc(Cl)cc21 82086833 QKJUNZIPQRVNOT-HZPDHXFCSA-N 391.258 3.534 0 40 GHAB COc1cccc(CN(C)C(=O)CCC(=O)c2ccc(Cl)cc2)c1OC 40159550 JGCUJEKKVMKLDX-UHFFFAOYSA-N 375.852 3.979 0 40 GHAB COC(=O)c1ccc(NC(=O)CCc2ncc(-c3cccc(OC)c3)o2)cc1 224847778 WGPYSKNLFUBCOO-UHFFFAOYSA-N 380.400 3.708 0 40 GHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(CN2CCOCC2)cc1 224585293 OVMKMHFSDZPUFR-QFIPXVFZSA-N 396.531 3.609 0 40 GHAB CCOc1ccc(-c2noc(CN(C)C(=O)c3ccc(OC)c(C)c3)n2)cc1 225515908 ONIPOWKNXQMEJZ-UHFFFAOYSA-N 381.432 3.725 0 40 GHAB COc1cc(C2(c3ccc(O)c(OC)c3)OC(=O)c3ccccc32)ccc1O 95630058 YRQCMVRFUNWZQK-UHFFFAOYSA-N 378.380 3.577 0 40 GHAB Cc1cc(-c2cncc(C(=O)O)c2)nc([C@@H]2CCCCN2C(=O)C(C)(C)C)n1 257261481 LHMWEGKTGYPJAE-KRWDZBQOSA-N 382.464 3.645 0 40 GHAB C[C@]12C[C@@H](c3ccc(F)cc3)N(C(=O)c3ccccn3)[C@H]1CCCCC(=O)N2 257274278 NKHYGJIJVOLPQP-IPJJNNNSSA-N 381.451 3.625 0 40 GHAB CCCn1ccc(C(=O)NCc2cccc(-c3n[nH]cc3-c3ccncc3)c2)n1 257213860 CJISWDMVSXQSPP-UHFFFAOYSA-N 386.459 3.675 0 40 GHAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)N[C@H]1C[C@H]2CC[C@H]1C2 250893468 XZXQTFIVJFVWLT-MJVIPROJSA-N 385.455 3.771 0 40 GHAB O=C(c1cccc(O)n1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257213366 CHGCVPRCEFDFMT-SFHVURJKSA-N 381.407 3.873 0 40 GHAB CC(C)n1cnc2cc(C(=O)N(CCc3ccccc3F)CC(=O)O)ccc21 257218594 DDSWVQDSUIPLSI-UHFFFAOYSA-N 383.423 3.526 0 40 GHAB CCOc1cc2c(cc1[C@@H]1[C@@H](c3ccccn3)N=C3S[C@H](C)CN31)OCO2 260763094 IMKDNGBJKYEXHD-QQGDVQBRSA-N 383.473 3.798 0 40 GHAB CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)N[C@@]34CCC[C@H]3C4)cc2)c1 666134596 BDJVMJHQLMPNIY-VBKZILBWSA-N 386.473 3.947 0 40 GHAB O=C(NC[C@@H]1CCCc2ccccc21)N1CCN(CCOc2ccccc2)CC1 1628805261 JCWLKOHBQOGOJR-NRFANRHFSA-N 393.531 3.513 0 40 GHAB O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cnc2n1CCCCC2 622121359 ADWHXAAUGFJGCM-JKSUJKDBSA-N 377.492 3.942 0 40 GHAB Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)O)O1 630168562 JNZUVGZTDWCWQA-MZGVZZPPSA-N 388.489 3.516 0 40 GHAB O=C(CCCCCc1ccc(I)cc1)N1C[C@H]2C[C@H]2C1 600218354 HUYAIPZPMOMQQS-GASCZTMLSA-N 383.273 3.872 0 40 GHAB CO[C@H]1CCN(c2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc2)C1 96381854 JEDBJFSZNCXRSB-INIZCTEOSA-N 380.897 3.674 0 40 GHAB Cn1cnnc1[C@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)O)cc1 585177742 ZJDMUNZNPROCCR-HXUWFJFHSA-N 376.460 3.908 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@H](C)C2)C3)s1 585104591 QUZBAIWXQTXYRT-YJBOKZPZSA-N 391.581 3.503 0 40 GHAB Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc(C(N)=O)cc2)c1 64317614 GSDUZSSLFVJAMM-UHFFFAOYSA-N 376.460 3.829 0 40 GHAB C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC[C@@H]1C(=O)O 630569131 VUROMXUTMKBGSW-AAEUAGOBSA-N 391.374 3.727 0 40 GHAB C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1nn(-c2ccc(F)cc2)ccc1=O 1617704081 AJXQWVOXTFONRS-LBPRGKRZSA-N 383.810 3.616 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 5292348 ABDRWKNBBUOGCM-SFHVURJKSA-N 392.908 3.749 0 40 GHAB O=C(COC(=O)CCOc1ccccc1)Nc1nc(-c2ccccc2)cs1 5506144 RCLBEEKTYQRCFM-UHFFFAOYSA-N 382.441 3.761 0 40 GHAB COc1ccc(O[C@@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 11716377 MKPPPAOOAPVUGE-SFHVURJKSA-N 382.504 3.765 0 40 GHAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(CS(=O)(=O)c2ccccc2)o1 12986714 PHIMEXXZOLDEKB-LJQANCHMSA-N 381.453 3.671 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)c2cnn(-c3ccccc3F)c2C)c(C)c1 13011403 CLUFFIMBYOGRBH-UHFFFAOYSA-N 394.450 3.614 0 40 GHAB CCCC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccccc2Cl)c1 13015879 POJYAXNKOCEXCO-UHFFFAOYSA-N 382.869 3.888 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1 13494913 BIUWQNCRXMBYDA-SNVBAGLBSA-N 381.816 3.569 0 40 GHAB CN(c1ccc(C(=O)Nc2cccc(F)c2)cc1)S(=O)(=O)c1cccs1 13680070 CDXPPUHVKOZZIQ-UHFFFAOYSA-N 390.461 3.965 0 40 GHAB COc1ccc(-c2cc(C)nc(SC[C@H](O)COc3ccccc3)n2)cc1 16283900 JDYHHDGFFSBCSG-QGZVFWFLSA-N 382.485 3.993 0 40 GHAB Cc1cccc(C2(CNC(=O)CCn3nc(C)c(Cl)c3C)CCOCC2)c1 19234543 GBTOMLHLTDNJKQ-UHFFFAOYSA-N 389.927 3.716 0 40 GHAB O=C(NCc1nn(C2CCCC2)c2c1COCC2)c1ccc(F)cc1Cl 206753199 OKUPGAUWMJVNIT-UHFFFAOYSA-N 377.847 3.793 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 4517837 GFCDJBGFTZUVFP-UHFFFAOYSA-N 384.482 3.565 0 40 GHAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2)nn1 5204284 ASGBXDIMUAJYIO-UHFFFAOYSA-N 391.399 3.621 0 40 GHAB C[C@@H]1Nc2ncnn2[C@H](c2ccccc2F)[C@@H]1C(=O)Nc1ccc(Cl)cc1 11694856 KYYPOJIBWZWYNG-YMRXKLBXSA-N 385.830 3.729 0 40 GHAB Cn1cccc1[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCCC1 11897734 JODQDYZJPSJKKT-IBGZPJMESA-N 395.956 3.574 0 40 GHAB C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1ccccc1)N1CCN(C)CC1 22031475 LJIDKAQCRUFBLE-OXJNMPFZSA-N 386.927 3.839 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cc2csc3ccccc23)cc1 575622170 XDBIXQCWXRWVCH-CYBMUJFWSA-N 389.498 3.597 0 40 GHAB CCOC(=O)c1c(NC(=O)c2ccc(C)c(S(C)(=O)=O)c2)sc(C)c1C 40140372 HHRCMDCFFXSWEP-UHFFFAOYSA-N 395.502 3.506 0 40 GHAB CC(C)c1cc2c(=O)[nH]c(CSCC(=O)Nc3ccccc3O)nc2s1 40287604 WBHQAILHEDJWEL-UHFFFAOYSA-N 389.502 3.686 0 40 GHAB Cc1nn(C)c2nc(C3CC3)cc(-c3nnc(SCc4ccccn4)n3C)c12 36612088 QDWSYVXZJNHYIU-UHFFFAOYSA-N 391.504 3.637 0 40 GHAB COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2cc(-c3ccc(F)cc3)nn12 36615747 RXXWSGLHNKFOEH-UHFFFAOYSA-N 391.358 3.718 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)Nc3cccc(S(C)(=O)=O)c3)ccc2c1 7944773 NITLZCIZMAKQSF-AWEZNQCLSA-N 383.469 3.994 0 40 GHAB O=C(O)c1ccccc1-c1ccccc1C(=O)NCc1ccc2c(c1)OCO2 1715671 WEXQNBUNEGXIMF-UHFFFAOYSA-N 375.380 3.711 0 40 GHAB O=C(O)[C@@H](c1c[nH]c2cc(Cl)ccc12)N1CCN(Cc2cccs2)CC1 32106681 NADDDQLQHARUQE-GOSISDBHSA-N 389.908 3.826 0 40 GHAB COc1cccc(N2CCN([C@@H](C(=O)O)c3c[nH]c4ccc(Cl)cc34)CC2)c1 20744748 YMKKILDBXPSDDQ-HXUWFJFHSA-N 399.878 3.778 0 40 GHAB COc1cc2cc3c(N)c(C(=O)N4CCC[C@H](C)C4)sc3nc2cc1OC 4848867 KSYIZMAHNMSNCE-NSHDSACASA-N 385.489 3.921 0 40 GHAB Cc1csc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)n1 4967189 HAIFLCXDAQXBAS-UHFFFAOYSA-N 387.515 3.954 0 40 GHAB 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RFHRNAZHGXCLHC-UHFFFAOYSA-N 396.466 3.525 0 40 GHAB Cc1nc(-c2cccnc2)sc1C(=O)N1[C@@H]2CN[C@@H]3CCCC[C@H]1[C@]3(C)C2 257305701 SRCJHYRAQWCDJU-GRXQJBFDSA-N 382.533 3.649 0 40 GHAB CCOc1ccc([C@H]2[C@H](C(=O)N3CCC(F)(F)CC3)CCC(=O)N2CC)cc1 257274667 NMAFXMOSMNTPOY-MJGOQNOKSA-N 394.462 3.643 0 40 GHAB C[C@@H]1CCCc2ncc(C(=O)N[C@@H]3CCc4nc(-c5ccccc5)ncc4C3)n21 651235835 LVJSXCQWGPURBY-CRAIPNDOSA-N 387.487 3.525 0 40 GHAB Cn1nc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1-c1ccco1 90607002 LTSLKJAARVUVLZ-UHFFFAOYSA-N 380.231 3.682 0 40 GHAB CC[C@H](CNC(=O)c1nccnc1Sc1ccccc1)C(=O)OC(C)(C)C 1615610175 FDBPVYWAMKUMOU-CQSZACIVSA-N 387.505 3.726 0 40 GHAB O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1cnc(-c2ccccc2)nc1 66941576 KECMUWZJNIAFKT-KRWDZBQOSA-N 387.361 3.626 0 40 GHAB FC(F)c1ncc[nH]c1=NCC1(c2cccc(Br)c2)CCOCC1 573160106 XSWJXWCHSZZUIE-UHFFFAOYSA-N 398.251 3.759 0 40 GHAB Fc1cc(F)cc(CN2CCC(Oc3ncc(Br)cn3)CC2)c1 1204233340 ANIAZILLGJDNAP-UHFFFAOYSA-N 384.224 3.561 0 40 GHAB Cc1cc(C)n(CC(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)n1 1615158300 LXSPDAMRNAOXPZ-XLIONFOSSA-N 384.499 3.545 0 40 GHAB CCOCCCNCc1cc(Br)cc(Br)c1OC 8253155 LBTWGXJBZULTIG-UHFFFAOYSA-N 381.108 3.736 0 40 GHAB CCc1ccc2[nH]c3nc(SCC(=O)N4[C@@H](C)CCC[C@@H]4C)nnc3c2c1 5678634 FRURKLJZUSWMOQ-STQMWFEESA-N 383.521 3.950 0 40 GHAB CCCn1nc(C(=O)Nc2nc(-c3ccccn3)cs2)c2ccccc2c1=O 5887321 ARJGIMADJFBNPJ-UHFFFAOYSA-N 391.456 3.577 0 40 GHAB COCc1ccc(C(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)o1 12184393 IGHWCOFOFBCRIG-UHFFFAOYSA-N 384.457 3.771 0 40 GHAB Cc1cc(OCC(=O)NCc2noc(-c3ccccc3)n2)c2cccc(C)c2n1 12202950 LILJYRZTVWPBAC-UHFFFAOYSA-N 388.427 3.597 0 40 GHAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)c1ccc(N(C)C)cc1 14404732 AIKBWNOHHGZPFN-UHFFFAOYSA-N 377.448 3.597 0 40 GHAB COCCc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4O3)n2)cc1 15611129 FSURFWBWMGKDRU-IBGZPJMESA-N 380.469 3.941 0 40 GHAB COc1ccccc1C(=O)N1CCC(c2nc(C)c(-c3ccncn3)s2)CC1 19560734 NIXOKVVLSJNUII-UHFFFAOYSA-N 394.500 3.937 0 40 GHAB NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)c2ccccc2)CC1 19700138 XZYQMRCSGMTCEJ-UHFFFAOYSA-N 399.494 3.699 0 40 GHAB C[C@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)OCC(N)=O)c2C1 4340756 WRERGYHCBIBLOB-XOAFGZPJSA-N 386.451 4.000 0 40 GHAB C[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)OCC(N)=O)c2C1 4512709 HQMKCRRTFZEMAV-KECPUOCWSA-N 376.412 3.593 0 40 GHAB COc1cc(-c2nnc(N)o2)ccc1OCc1cccc(Br)c1 226325753 PLKZYVLVUVVREC-UHFFFAOYSA-N 376.210 3.669 0 40 GHAB O=C(NCc1ccccc1)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156624 JBWAXINFUUZSLE-FQEVSTJZSA-N 396.462 3.822 0 40 GHAB CC(C)[C@H](C)NC(=O)C1CCC2(CC1)CNC(=O)c1cc(Cl)ccc1O2 19445285 OOUJMBIMPFGSCV-LTQQYIGLSA-N 378.900 3.552 0 40 GHAB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)Nc1cccnc1Cl 4220853 WWCQQCHQDBKDAF-UHFFFAOYSA-N 382.803 3.903 0 40 GHAB CC(C)NC(=O)CN1CCCN(Cc2sc3ccccc3c2Cl)CC1 30589938 BZGVLRYRMIAVGD-UHFFFAOYSA-N 379.957 3.587 0 40 GHAB COc1ccc(OC)c(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)c1 5270069 YHSXWLAIBSBYCU-UHFFFAOYSA-N 392.455 3.783 0 40 GHAB Cc1cc(C)c2sc(NC(=O)CCS(=O)(=O)Cc3ccccc3)nc2c1 10620853 CSKCZJATOFAHBN-UHFFFAOYSA-N 388.514 3.857 0 40 GHAB O=C(c1cccc(NS(=O)(=O)c2ccccc2F)c1)N1[C@H]2C=CC[C@H]1CC2 208018281 YBAZWWNBLNVJOB-IRXDYDNUSA-N 386.448 3.560 0 40 GHAB Cc1nc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c2oc3ccccc3c2n1 20461479 ZDXUUJBEVOTKDG-UHFFFAOYSA-N 398.470 3.883 0 40 GHAB COc1ccc(-n2c(NCCCO)nc3sc4c(c3c2=O)CCCCC4)cc1 2435041 QQDGFXGGEGPDON-UHFFFAOYSA-N 399.516 3.519 0 40 GHAB CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc(C)cc1 866303 QNCLFZXGVSRMIX-UHFFFAOYSA-N 385.485 3.621 0 40 GHAB CC[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)NCCc1c[nH]c2ccccc12 20731116 NJNPHFFXDRHNEY-GOSISDBHSA-N 389.455 3.781 0 40 GHAB O=c1c(NCCC(c2ccccc2)c2ccccc2)c(NCc2ccncc2)c1=O 101699023 AGXKLTFSPMMSOO-UHFFFAOYSA-N 397.478 3.924 0 40 GHAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Nc2ccccc2)cc1 21007070 QMXLIGFGLLMOOW-UHFFFAOYSA-N 392.459 3.623 0 40 GHAB COc1cccc(OC)c1OC(=O)COc1ccc(F)cc1Br 7309454 QXOGTFWAGWGSMU-UHFFFAOYSA-N 385.185 3.590 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1c(C)cc(C)cc1C 2624862 DIONVPGBWNQSBX-UHFFFAOYSA-N 396.459 3.539 0 40 GHAB O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2ccc3c(c2)CCO3)CC1 29929095 IXVFSZMJCKPBQU-UHFFFAOYSA-N 390.405 3.598 0 40 GHAB CCOc1cc2c(cc1OCC)CN(Cn1nc3ccccn3c1=S)CC2 8185554 TUXUBMFDOZRMRL-UHFFFAOYSA-N 384.505 3.678 0 40 GHAB O=C1c2ccccc2C(=O)N1CN(C(=O)/C=C/c1ccccc1)c1ccccc1 59502360 FVTAOLLAHYXNOU-FOCLMDBBSA-N 382.419 3.987 0 40 GHAB CCn1cc(-c2ccnc(SCC(=O)n3nc(C)c(Cl)c3C)n2)c(C)n1 2730810 VPEALQPPYXIRCF-UHFFFAOYSA-N 390.900 3.568 0 40 GHAB CC(C)N(C(=O)[C@@H](C)OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(C)C 21603609 IXGFPUPZFLOENR-MRVPVSSYSA-N 396.702 3.815 0 40 GHAB COc1cc(CNC(=O)c2cc(=O)c3cc(C)ccc3o2)ccc1OC(F)F 9223773 ZBCSFSHJSHJQQN-UHFFFAOYSA-N 389.354 3.641 0 40 GHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN(c2ccccc2F)CC1 2774232 BWCWNDUUQZYMOS-OAHLLOKOSA-N 376.859 3.904 0 40 GHAB CSc1ccc(Cl)c(C(=O)Nc2nc(CN3CCOCC3)cs2)c1 22701629 PKYXCUFFWAPQFM-UHFFFAOYSA-N 383.926 3.603 0 40 GHAB O=S(=O)(Nc1cnn(COc2cccc(Cl)c2)c1)c1ccc(F)cc1 2803961 BQAHOQYYTBQXLL-UHFFFAOYSA-N 381.816 3.513 0 40 GHAB CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 23043079 WFKJSXFBNIZPCQ-MRXNPFEDSA-N 392.546 3.658 0 40 GHAB CCN(C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1C 12328536 HOTKLRVKWZOWKP-LJQANCHMSA-N 379.504 3.699 0 40 GHAB CCOC(=O)c1c(NC(=O)CCc2ccc3c(c2)OCCO3)sc(C)c1C 24691170 DLDGMCMPNBSOTL-UHFFFAOYSA-N 389.473 3.884 0 40 GHAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 24643745 QGYMKXREPYXRAL-CZUORRHYSA-N 399.878 3.693 0 40 GHAB Cc1ccc(N2C(=O)/C(=C/NCC(C)(C)CN(C)C)c3ccccc3C2=O)cc1 102305079 YAHFJGUEEXZYHJ-KGENOOAVSA-N 391.515 3.700 0 40 GHAB O=S(=O)(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc(F)ccc1F 12585126 PZGOUAVZYGMCAI-UHFFFAOYSA-N 395.456 3.976 0 40 GHAB COC(=O)C[C@@H](NC(=O)Nc1ccccc1-n1nc(C)cc1C)c1cccs1 44208894 IOPYMSOKQOESHE-MRXNPFEDSA-N 398.488 3.977 0 40 GHAB C[C@@H](CCNC(=O)Nc1cccc(Cn2cccnc2=O)c1)c1ccccc1 58209882 VCYIPPPRUPLGCR-KRWDZBQOSA-N 376.460 3.607 0 40 GHAB COc1ccc(-c2nsc(NC(=O)COc3ccc(C)c(C)c3)n2)cc1OC 27740025 ZOAWATHZAIFXQR-UHFFFAOYSA-N 399.472 3.857 0 40 GHAB O=C(Cn1c(C2CC2)nc2ccccc21)NC[C@@H](c1ccco1)N1CCCCC1 58390646 HDIKGENTZNPRRQ-FQEVSTJZSA-N 392.503 3.850 0 40 GHAB Cc1cc(C(=O)CSc2n[nH]c(=O)n2C2CC2)c(C)n1CCc1ccccc1 8503728 DGIZJZLXDBKPRD-UHFFFAOYSA-N 396.516 3.542 0 40 GHAB CN(CC(=O)Nc1ccccc1Br)c1ncnc2sccc12 3380218 QWQBHFLKAUHQCK-UHFFFAOYSA-N 377.267 3.529 0 40 GHAB CCCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCCC3)c3ccccc23)C1=O 409139200 BILZTFHAIODNSM-PDGQHHTCSA-N 397.500 3.710 0 40 GHAB CC(C)n1ncc2cc(NC(=O)[C@@]34CCC(=O)N3c3ccccc3S4)cnc21 11056011 KHEWKHXUMHMXNV-FQEVSTJZSA-N 393.472 3.580 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 12779239 FCAVTKXSIFSUBC-UHFFFAOYSA-N 395.488 3.903 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1cccc(C(F)(F)F)c1 3463339 UAAYAYHFBMIZBT-UHFFFAOYSA-N 397.397 3.679 0 40 GHAB COc1cc(C(=O)Oc2ccc3c(c2)OCO3)ccc1OCc1c(C)noc1C 3552233 ALZZVXPLHJPBMG-UHFFFAOYSA-N 397.383 3.827 0 40 GHAB CC(C)N(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O)c1ccccc1 3593611 WLYQYCIRCVJYQN-NRFANRHFSA-N 399.878 3.549 0 40 GHAB CN(C(=O)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O)c1ccccc1 38486547 MMBDSUVVBGJNOG-UHFFFAOYSA-N 393.443 3.927 0 40 GHAB O=C(COC(=O)C1C[C@@H]2CC[C@H](C1)C21SCCS1)Nc1ccc(F)cc1 13128928 NPRLKWBKKPJWNC-AGUYFDCRSA-N 395.521 3.920 0 40 GHAB O=C(O)COc1ccccc1/C=C1\CCc2c1nc1ccccc1c2C(=O)O 3885054 KMYUIROGSMBLNN-SDNWHVSQSA-N 375.380 3.883 0 40 GHAB CCCCNC(=O)c1cc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1 4066549 MTLVPWHEOKAOGY-UHFFFAOYSA-N 392.381 3.954 0 40 GHAB Cc1nc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc2n1 4241826 JJJLENPJESTNHI-UHFFFAOYSA-N 392.484 3.561 0 40 GHAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc(C)c(C)n1CC(C)C 8478980 YTHQENWNBUSHGE-IBGZPJMESA-N 387.549 3.565 0 40 GHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 5326589 CCEZISLPPWUATD-UHFFFAOYSA-N 386.473 3.608 0 40 GHAB NC(=O)Cc1csc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n1 14187030 FUHAWRFNSQBAMT-UHFFFAOYSA-N 388.452 3.638 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NCCSCc1cccs1)(C3)C2 17918007 CQWOGKUOEPWDMW-BANKROOTSA-N 392.590 3.573 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 59285708 WKLGJNSKKDICQZ-INIZCTEOSA-N 375.490 3.825 0 40 GHAB CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2C(C)C)cc1 4738794 HUWMIYUWSOZSQQ-IBGZPJMESA-N 379.460 3.823 0 40 GHAB COc1cccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c1OC(C)C 4702370 ZVFRGYBKZFWXPC-GZTJUZNOSA-N 384.407 3.714 0 40 GHAB CCC(=O)c1ccc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 6789662 OTPQVDMUKFNZPK-HSZRJFAPSA-N 397.471 3.943 0 40 GHAB CN(C(=S)NC(=O)c1ccccc1)c1ccccc1C(=O)NC1CCCCC1 6871611 WDFZFMDCZXQSFG-UHFFFAOYSA-N 395.528 3.900 0 40 GHAB CCCNC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 7191260 QHHIRPRHPXQLFS-INIZCTEOSA-N 387.553 3.573 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2O)cc1Cl 408628436 SZLBYHCEEYPDFL-UHFFFAOYSA-N 380.853 3.580 0 40 GHAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 7734514 WPRVZDJEKVPAPQ-AAEUAGOBSA-N 388.817 3.882 0 40 GHAB CC(C)Cc1nnc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)s1 7738396 PNVGDNYMRCKNHA-UHFFFAOYSA-N 383.399 3.744 0 40 GHAB CCCCCN(C(=O)c1ccc(=O)n(C)n1)c1nc(-c2ccccc2)cs1 7988359 LCYWFIFHROWVIL-UHFFFAOYSA-N 382.489 3.741 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 9048191 MRCPPSKZWCEUCJ-WMLDXEAASA-N 394.374 3.794 0 40 GHAB CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)NCc1ccccc1 71327839 JABAETWOVUXJDW-UHFFFAOYSA-N 389.499 3.541 0 40 GHAB Cc1cccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)c1C 9237927 LHAUHUSHFHQVPK-MSOLQXFVSA-N 379.489 3.601 0 40 GHAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(Br)c1 72067197 BVNJDRUMNSNBSA-GFCCVEGCSA-N 387.299 3.698 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cn2cc(Br)cn2)o1 27980840 QUPCWSKZVBKBKR-LBPRGKRZSA-N 386.249 3.878 0 40 GHAB CN1C(=O)CCc2cc(NC(=O)c3ccnc(OC4CCCCC4)c3)ccc21 95458728 DHZMFAAJVZJYMD-UHFFFAOYSA-N 379.460 3.954 0 40 GHAB O=C(CCN(CCCO)c1ccccc1)Nc1ccc(Br)cc1F 79025676 MYAPYOVSSFMGIT-UHFFFAOYSA-N 395.272 3.806 0 40 GHAB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)Nc3ccc(F)cc3)cc21 20428092 DZIDUHYHPHHNSS-UHFFFAOYSA-N 397.454 3.650 0 40 GHAB COc1ccc(Oc2nccnc2C2CCN(C(=O)c3cscn3)CC2)cc1 72362640 ZEHFBIVCAANBFU-UHFFFAOYSA-N 396.472 3.754 0 40 GHAB Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 72374661 XUJXFAXHEKNDLT-QGZVFWFLSA-N 399.498 3.830 0 40 GHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nc(-c3ccccc3)no2)o1 36360573 ALMWTWVBUFMJQU-UHFFFAOYSA-N 395.440 3.817 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@H]2CCCN2C(=O)C2CCOCC2)n1 72384286 KLOXIGMGFISFOG-QGZVFWFLSA-N 385.439 3.807 0 40 GHAB CCCc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2n1 35291565 FPGGQJIZHZHKLQ-UHFFFAOYSA-N 395.484 3.720 0 40 GHAB Cc1ccc(-c2ccsc2C(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 46422730 ZLADTUGVJJFEME-KRWDZBQOSA-N 378.501 3.912 0 40 GHAB COc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(F)cc3)n2)c(OC)c1 49006924 CICFPNATTMANPB-UHFFFAOYSA-N 397.406 3.626 0 40 GHAB COc1ccccc1CCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 225551102 LEMUEWOGLUYJFA-UHFFFAOYSA-N 383.517 3.741 0 40 GHAB CCOCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c(C)n1 225873239 QKCRRYCOENZJQR-UHFFFAOYSA-N 398.503 3.801 0 40 GHAB CCCNC(=S)Nc1nc(N2CCCCC2)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 225885067 DDWHZUOJEGVZKU-IYBDPMFKSA-N 390.601 3.646 0 40 GHAB CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O 220585982 KVLDAHZTSPIFEO-OAHLLOKOSA-N 384.860 3.662 0 40 GHAB CCOC(=O)c1c(C(=O)Nc2ccc(Cl)cc2)nn(-c2ccccc2)c1N 40385464 NAILQNFDWGTINM-UHFFFAOYSA-N 384.823 3.537 0 40 GHAB C[C@H]1CN(Cc2ccc(CNC(=O)CCCc3ccccc3)cc2)C[C@H](C)O1 40106932 OCNWPNWYJCCDAI-PMACEKPBSA-N 380.532 3.935 0 40 GHAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 222911526 IIXNTWYWXLYNPK-IBGZPJMESA-N 380.532 3.948 0 40 GHAB CCc1ccc(N([C@H](C)C(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 220262431 LNPZUIMNIKKXTO-CYBMUJFWSA-N 380.897 3.696 0 40 GHAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)Cc1c(F)cccc1Cl 223502569 HRJZNUFZSHLOCZ-IBGZPJMESA-N 390.886 3.618 0 40 GHAB CN(C)c1ccc(C(=O)N2CCC[C@@H](Cc3nc(-c4ccsc4)no3)C2)cc1 220915905 RSJXTWACFDMARG-HNNXBMFYSA-N 396.516 3.959 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC(C)C)cc2)c1 223842584 FSQDRQSFTBSXFO-UHFFFAOYSA-N 383.853 3.715 0 40 GHAB COc1ccc(-c2nc3cc(NC(=S)NC(C)=O)ccc3o2)cc1Cl 40717445 UWXXVVGRQDTGKN-UHFFFAOYSA-N 375.837 3.990 0 40 GHAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1 223609878 IKBMNABZTYXZRE-RTWAWAEBSA-N 392.528 3.536 0 40 GHAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccncc1)c1ccccc1 223473815 ZCIJQLWECMMKKQ-QFIPXVFZSA-N 391.446 3.627 0 40 GHAB COc1ccccc1C(=O)NC(=S)Nc1cc(C)c(O)c(Br)c1 226243850 UIYHZKGJYLEDHN-UHFFFAOYSA-N 395.278 3.599 0 40 GHAB O=C1[C@@H]2C[C@@H](CN2Cc2cccnc2)Oc2ccccc2N1Cc1ccccc1 96111788 ODEZFQMRXQXNPH-UNMCSNQZSA-N 385.467 3.650 0 40 GHAB biogenic,in-vitro O=C(C[C@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21)N1CCOCC1 96052794 CORUXRWWKZHZSR-IBGZPJMESA-N 394.515 3.550 0 40 GHAB C[C@H](O)C(=O)O[C@](CCN1CCCCC1)(c1ccccc1)[C@@H]1C[C@H]2C=C[C@@H]1C2 95871150 ATZOURLUNRGDHW-FDHDAJFTSA-N 383.532 3.894 0 40 GHAB C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(CCOc2ccccc2)CC1 96311008 LCXSIQNRAOCRGF-QGZVFWFLSA-N 396.466 3.633 0 40 GHAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(CC[C@@H](C)c2ccccc2)C3)C1 247961523 VMDYUJXHFVICHB-NQIIRXRSSA-N 392.547 3.754 0 40 GHAB CCc1nnsc1C(=O)N1CCC[C@H]1c1ccc(-c2c(C)noc2C)cn1 257298128 RKHQHSAYXOMNAB-INIZCTEOSA-N 383.477 3.745 0 40 GHAB Cc1cc(-c2c(C)noc2C)nc([C@H]2CCCCN2C(=O)c2cccnc2)n1 257320522 VXERIDLRYVIYKQ-GOSISDBHSA-N 377.448 3.819 0 40 GHAB O=C(c1ncccc1O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257252929 JWSUBZWJVPPLNC-OAHLLOKOSA-N 381.407 3.525 0 40 GHAB CCC[C@@H]1SCCN1C(=O)CSc1nncn1-c1cccc(Cl)c1 605370509 YFMPMPHUSHJPFR-HNNXBMFYSA-N 382.942 3.714 0 40 GHAB COCc1cc(Cl)ccc1NC(=O)N(C)[C@@H]1CCC[C@@H]1N1CC[C@@H](OC)C1 626593037 GARHSUZYLRSNCN-QRQLOZEOSA-N 395.931 3.592 0 40 GHAB Cc1cc(NC(=O)N2CCOC[C@H]2c2nc3ccccc3s2)cn2ccnc12 653367640 DXWXVYQROSNFCX-INIZCTEOSA-N 393.472 3.858 0 40 GHAB O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@H]1CCc2n[nH]cc2C1 655253819 NWFXPSLFJZNHQJ-ZDUSSCGKSA-N 393.409 3.651 0 40 GHAB Cc1ccc(OC[C@@H](O)CNCc2cc3c(C)ccc(C)c3nc2O)c(C)c1 585283081 BMWLZFDHYBEACP-IBGZPJMESA-N 380.488 3.704 0 40 GHAB CSc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 72392941 ZSUXYUSHRDWVTI-GOSISDBHSA-N 392.528 3.933 0 40 GHAB O=C(NCc1ccccc1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 12115753 FDAGGJSHLGXSJH-SFHVURJKSA-N 379.439 3.581 0 40 GHAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)n1 12201216 KJYGJYNJUFUIGW-OAHLLOKOSA-N 390.443 3.663 0 40 GHAB COC(=O)Cn1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)c2ccccc21 12292769 REWUZBZNWJLSLL-UHFFFAOYSA-N 392.499 3.606 0 40 GHAB COc1ccc(-c2ncc(CN3CCC(O)(c4ccccc4F)CC3)cn2)cc1 12328992 WXBPUMMUBVWNSU-UHFFFAOYSA-N 393.462 3.775 0 40 GHAB CN(CCCNC(=O)c1ccc(I)cc1)c1ccccc1 17826766 HMDNRTDIHFFVFW-UHFFFAOYSA-N 394.256 3.548 0 40 GHAB CCc1nccn1C[C@@H](C)C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 19523589 DWXXTKVRLQLXOS-IERDGZPVSA-N 385.508 3.756 0 40 GHAB CCCSc1ncc(CN2[C@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)cn1 19525204 VWUNZJYRZHYNGD-DOTOQJQBSA-N 380.521 3.592 0 40 GHAB Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)cc1 8372446 AHCKDJLRERFFPM-VNVABUEJSA-N 392.480 3.904 0 40 GHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccccc2)C1 19591736 WDNXRHMBTHLBJJ-RUZDIDTESA-N 385.511 3.929 0 40 GHAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)c1cc2ccccc2oc1=O 1889071892 IWZWVQDEYWKLPV-HNNXBMFYSA-N 381.409 3.578 0 40 GHAB CCCn1cc(C(=O)Nc2ccccc2F)c2nn(-c3ccccc3)c(=O)c-2c1 10062651 QTUVGZPBTRVUMV-UHFFFAOYSA-N 390.418 3.940 0 40 GHAB Cc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)no3)c2N)cc1 15678978 NEBPFQHNSJGVOU-UHFFFAOYSA-N 397.236 3.637 0 40 GHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)C2CCCC2)c2cccs2)cc1 15780797 SBVSUZACVPMZKB-SFHVURJKSA-N 393.530 3.578 0 40 GHAB O=C(Cc1ccc(Cl)cc1)NCCCCN1CCO[C@@H](c2ccccc2)C1 36700051 HORXMYQRZQVMGD-OAQYLSRUSA-N 386.923 3.852 0 40 GHAB Cc1nccc(O[C@@H]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)C2)n1 575612049 IMQKIUPVNCVCQA-OAQYLSRUSA-N 387.483 3.987 0 40 GHAB O=C(NC[C@H](OCCO)c1ccsc1)C(c1ccccc1)c1ccccc1 575622222 XXLXGDDRVPQMHK-FQEVSTJZSA-N 381.497 3.746 0 40 GHAB CC(C)(C)c1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)n[nH]1 19083698 LSEGBRKABOTSLH-DSKINZAPSA-N 398.526 3.987 0 40 GHAB COc1ccc2cc([C@@H](C)C(=O)NCc3nnc4n3CCCCC4)ccc2c1 40012920 KPXKZLOKZNCLJS-OAHLLOKOSA-N 378.476 3.586 0 40 GHAB CN(CCOc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 40104585 RJSHQUAUEJSBGK-UHFFFAOYSA-N 385.439 3.604 0 40 GHAB Cc1cc(N(C)C)ccc1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 40111659 ABBDYSGXOKVQSG-UHFFFAOYSA-N 393.531 3.871 0 40 GHAB COc1cc2c(cc1OC)-c1cc(Nc3ccc(C)c(C)c3)nc(=O)n1CC2 2433743 MIHZBQTZQBCUDL-UHFFFAOYSA-N 377.444 3.844 0 40 GHAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2ccc(F)cc2)o1 28872704 HPUXEOFJLZKVOC-HXUWFJFHSA-N 394.446 3.889 0 40 GHAB CCN(CC)C(=O)CSc1ncnc2c(-c3ccc(OC)cc3)nsc12 902775 CUBFXYMNYJYKJD-UHFFFAOYSA-N 388.518 3.722 0 40 GHAB CN1c2ccccc2C(O)=C(C(=S)Nc2ccc(Cl)cc2)S1(=O)=O 100819877 BQZLRWKSTNRVMB-UHFFFAOYSA-N 380.878 3.786 0 40 GHAB Cc1nc2ccccc2n1C(=O)OCCOC(=O)n1c(C)nc2ccccc21 1664905 BCDUXPXIBBJEJT-UHFFFAOYSA-N 378.388 3.672 0 40 GHAB CC(=O)N[C@H]1C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(Cl)cc21 101222162 GLHITSYHLNFFIZ-QGZVFWFLSA-N 379.243 3.596 0 40 GHAB COCCNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20745102 XEBBIAFQPZEQSC-NRFANRHFSA-N 392.499 3.896 0 40 GHAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NCc1cccs1 4766993 KLYFQSVDCWXOBV-UHFFFAOYSA-N 379.652 3.577 0 40 GHAB CSc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)c1 6327881 FYCJBBJUKQVLBP-UHFFFAOYSA-N 392.546 3.667 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 6818996 QICZMFUKRKHWCB-MRXNPFEDSA-N 392.546 3.911 0 40 GHAB CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 56299277 RTRXKGWKNQDOCY-UHFFFAOYSA-N 379.504 3.624 0 40 GHAB Cc1nc2ccc(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)cc2nc1C 32741759 GZGQTJLOYLONLB-UHFFFAOYSA-N 389.455 3.840 0 40 GHAB O=C(CNc1cccc(Cl)c1N1CCOCC1)Nc1ccc2c(c1)CCC2 32770397 IELGLDNEWGKWQO-UHFFFAOYSA-N 385.895 3.716 0 40 GHAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3CC(N)=O)cc12 32815110 PLEGBRNTRBNNJS-UHFFFAOYSA-N 390.468 3.676 0 40 GHAB O=[S@](CCOc1ccc(F)cc1)Cc1nc(-c2ccccc2Cl)no1 32801162 PXPDHKVYVQYUOA-VWLOTQADSA-N 380.828 3.857 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)c(C)c1 8413734 FPUFYOBVWOLWPI-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 10972323 IMJHVQKXDONNMX-UHFFFAOYSA-N 398.459 3.728 0 40 GHAB C[C@@H](NC(=O)c1c(Br)c(C(F)(F)F)nn1C)[C@H]1C[C@H]2CC[C@H]1C2 102626548 KHLWMNDVTGHUOK-XFWSIPNHSA-N 394.235 3.756 0 40 GHAB Fc1ccc(-c2cc3ncnc(N4CCN(C[C@@H]5CCCO5)CC4)c3s2)cc1 33010804 QQYWOXQHFDXILW-KRWDZBQOSA-N 398.507 3.798 0 40 GHAB O=C(Nc1ccccc1N1CCOCC1)c1cc(Cl)c2c(c1)OCCCO2 8133859 UMLUZUVKRHAAQA-UHFFFAOYSA-N 388.851 3.590 0 40 GHAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 2704365 ZNNYWUSFYPRTEE-INIZCTEOSA-N 375.409 3.703 0 40 GHAB Cc1ccc(-c2c(C)sc3ncn(CC(=O)N4CCCC4)c(=O)c23)cc1C 812679 QAJACPQVXOAWJD-UHFFFAOYSA-N 381.501 3.673 0 40 GHAB CCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)N1CCCC1)c1ccccc1 57383058 HYBCZRUUGICZAK-HXUWFJFHSA-N 394.475 3.905 0 40 GHAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(C)cc2)sc2c1CCC2 939403 BYISKKNRZGXZIU-UHFFFAOYSA-N 388.514 3.849 0 40 GHAB COc1ccc([C@H]2C=C(c3ccc(C)cc3)Nc3nc(CCCO)nn32)cc1 100806439 ZZUWLIYVPHOFKB-HXUWFJFHSA-N 376.460 3.576 0 40 GHAB CCN(C(C)=O)c1nc(CSc2nnc(-c3ccoc3C)n2C)cs1 23566032 ADEVLMDSPVHWPQ-UHFFFAOYSA-N 377.495 3.505 0 40 GHAB O=C(NCCNC(=O)c1c[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1 12389082 WAAHGAKKRSQBOM-UHFFFAOYSA-N 383.451 3.995 0 40 GHAB Cc1cnc2c(S(=O)(=O)NCc3ncc(-c4ccccc4)o3)cccc2c1 47280394 IYNQCEHOVOXGRK-UHFFFAOYSA-N 379.441 3.677 0 40 GHAB O=C(CNC(=O)c1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2)s1 24775979 KTDZXQFEFBLPFS-UHFFFAOYSA-N 385.876 3.756 0 40 GHAB C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@H]3c3ccncc3)cc2)C[C@@H](C)O1 25094416 UNUIJOJNELQMBK-HMFYCAOWSA-N 379.504 3.668 0 40 GHAB CCN1CCN(c2ccc(NC(=O)Cc3ccc4c(c3)CCCC4)cc2)CC1 8194631 QJJQTPSFSLINDK-UHFFFAOYSA-N 377.532 3.889 0 40 GHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cccc(C(=O)N(C)C)c1 25545514 JQARXUFRPUGGSD-UHFFFAOYSA-N 387.505 3.995 0 40 GHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(Cl)c1O 12556282 XYFWAKQHGMSDFA-ORAYPTAESA-N 388.851 3.800 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C)c1 35268998 GSKKRJJBXKWQFI-MOPGFXCFSA-N 379.504 3.981 0 40 GHAB CCOc1ccc([C@]2(O)CN(c3ccc(OC)cc3)C3=[N+]2CCCCC3)cc1 22408625 QPAXDTOGGZZFBW-HSZRJFAPSA-N 381.496 3.744 0 40 GHAB COc1ccc2nc(N(CCn3cccn3)C(=O)c3cccs3)sc2c1 23144789 KVOGQCFFDGRDSS-UHFFFAOYSA-N 384.486 3.910 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(Br)cc1 1918981 ZEWBCBFVBDJKNJ-UHFFFAOYSA-N 378.222 3.643 0 40 GHAB COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)c(OC)c1 2084679 OJBOYPOJEHMLBF-UHFFFAOYSA-N 388.489 3.776 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N[C@@H](C)c2cccc(Cl)c2)cc1 58170286 GJSCLTGUDCFUKW-JKSUJKDBSA-N 387.911 3.785 0 40 GHAB COc1ccc(OCCNC(=O)c2ccc(OCc3cscn3)cc2)cc1 10292157 BOCPIVRUSILIMZ-UHFFFAOYSA-N 384.457 3.540 0 40 GHAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 58406553 VXEDIPVFSIVTQS-NXEZZACHSA-N 385.213 3.514 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N(C)C)cc1 28289739 UIMSNPCIIUOZHI-QGZVFWFLSA-N 384.863 3.788 0 40 GHAB C[C@@]12CC3CC(C(=O)NCc4ccc(N5CCOCC5)nc4)(C1)C[C@](C)(C3)C2 10719132 XFIRSRMOCMSUQX-FKANHJMESA-N 383.536 3.531 0 40 GHAB COc1ccc(COC[C@H](O)CN(C)[C@H](C)c2ccc(F)c(F)c2)cc1OC 36426248 RKWYQOQBMDMBII-RHSMWYFYSA-N 395.446 3.553 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(NC(=O)C2CC2)cc1 11082984 PFWPSAFSPYJBST-UHFFFAOYSA-N 388.471 3.552 0 40 GHAB Cc1ccccc1OCCN(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 11077798 IMWHCOAUVYREFA-UHFFFAOYSA-N 398.478 3.524 0 40 GHAB CCN(CC)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 22275494 GMJUMJZQYPQEIG-UHFFFAOYSA-N 388.533 3.676 0 40 GHAB CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2ccncc2)sc1C 12685915 FUPKIPSCUDSIHK-UHFFFAOYSA-N 395.484 3.913 0 40 GHAB O=C(c1ccc(F)cc1)c1ccc(OCc2cc(=O)n3ccsc3n2)cc1 3324897 YPWICQZQJGRDJR-UHFFFAOYSA-N 380.400 3.705 0 40 GHAB C/C=C/c1ccc(OCC(=O)N2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 3354175 QFQDVPDYWJLTOQ-AATRIKPKSA-N 397.471 3.709 0 40 GHAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nccs1)c1cccs1 3358732 DKLHDCGRIIIYGC-OAHLLOKOSA-N 396.497 3.666 0 40 GHAB Cn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccccc1F 3398469 YWWXPSOUMFWEPP-GOSISDBHSA-N 396.491 3.907 0 40 GHAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(C(C)(C)C)cc1 12852127 SPIZUQUKCOMPKG-AWEZNQCLSA-N 380.492 3.613 0 40 GHAB COc1ccc(OC)c(CCC(=O)NCCSCc2ccccc2F)c1 12814351 PIYWJHBLZXIETJ-UHFFFAOYSA-N 377.481 3.825 0 40 GHAB COc1cc2c(cc1OC)CN(C[C@@H](O)COc1cccc3ccccc13)CC2 12904135 XTMOHFIHFNGVFG-HXUWFJFHSA-N 393.483 3.655 0 40 GHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 3554064 RPOASGFBXCWRKA-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 13010122 CNWAYIAVXZWZQT-QGZVFWFLSA-N 382.460 3.583 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccc3c(c2)CCC3)ccc1F 8312103 ZTXGMXPCOONWIX-UHFFFAOYSA-N 391.464 3.564 0 40 GHAB O=C(CS(=O)(=O)c1ccc(O)cc1)N(C1CCCCC1)C1CCCCC1 63927376 NIQLLONBELFMNZ-UHFFFAOYSA-N 379.522 3.660 0 40 GHAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 4385264 VIQCKTGEHGXFNG-LLVKDONJSA-N 379.243 3.994 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CCC[C@@H](C)C1 13805143 GBZFOGVNOLRSEP-OLZOCXBDSA-N 375.444 3.543 0 40 GHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)C1 6237649 ZHPXVCWCKDMJGP-HUUCEWRRSA-N 390.480 3.745 0 40 GHAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1cccc(Br)c1)C(=O)C2 5249311 HCGSDWMMJYKWLJ-BDJLRTHQSA-N 386.311 3.586 0 40 GHAB O=C1N/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)N1Cc1ccc(F)cc1 409017124 WVLDISMAEBOXPO-MKMNVTDBSA-N 381.190 3.931 0 40 GHAB O=C(NCc1nc(-c2cccs2)no1)c1cc(Cl)c2c(c1)OCCCO2 65778392 DXZKIYRZIGLWAP-UHFFFAOYSA-N 391.836 3.543 0 40 GHAB CCOc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c(OCC)c1 5464835 SZGGGYVUXYFZGA-UYAOXDASSA-N 380.444 3.654 0 40 GHAB CCc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)N(CC(=O)OC)C2=S)cc1 4673320 SUSSWGZPIUYFAX-UYRXBGFRSA-N 394.496 3.705 0 40 GHAB CCS(=O)(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)c1ccc(OC)cc1 5718937 FOUACBZHOJDMGJ-UHFFFAOYSA-N 390.505 3.613 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 8709114 PFRZETVOXJDHMJ-MGPUTAFESA-N 393.487 3.818 0 40 GHAB CCOc1ccc(-n2c(=O)c3sccc3n(Cc3ccccc3)c2=O)cc1 67260239 YIGBYCPFTKKMDJ-UHFFFAOYSA-N 378.453 3.661 0 40 GHAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)cc1C 67298454 XLGCENIRIRHRGL-APPAOHSRSA-N 392.455 3.896 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N(C)C(c2ccccc2)c2ccccc2)cc1 15326578 MGBLZXVYDAFJDB-UHFFFAOYSA-N 395.480 3.883 0 40 GHAB O=C(Nc1ccsc1C(=O)NCc1ccc(F)cc1Cl)c1cnccn1 67335558 VPDJNSPOMSWSGP-UHFFFAOYSA-N 390.827 3.513 0 40 GHAB CC(=O)c1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 23080557 RAPMVDQRLQNABP-UHFFFAOYSA-N 395.484 3.637 0 40 GHAB COc1ccc(C)cc1NC(=O)CCc1c(C)[nH]n(-c2ccc(F)cc2)c1=O 16206238 CWRRQPLCUPNRHZ-UHFFFAOYSA-N 383.423 3.501 0 40 GHAB Cc1ccc(NC2=NN=C(c3c[nH]c(C(=O)N4CCCC4)c3)CS2)cc1C 9378897 UFQSQOWBETWWCE-UHFFFAOYSA-N 381.505 3.787 0 40 GHAB C[C@H](NC(=O)COCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 9355357 OQHUNJQYSFDRKH-ZDUSSCGKSA-N 380.366 3.538 0 40 GHAB COc1cccc2c1OCC(C(=O)Nc1cccc(Nc3cnn(C)c3)c1)=C2 78968670 TZDWOZQLTKRRJT-UHFFFAOYSA-N 376.416 3.587 0 40 GHAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 25364054 JCMQLVIUOYAENW-MRXNPFEDSA-N 391.374 3.793 0 40 GHAB Cc1ccc(N2C(SCc3ccccc3C)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1 32641046 WTQDAWZIZFFGJF-OALUTQOASA-N 386.542 3.578 0 40 GHAB O=C(NCc1nnc2ccccn12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 32524208 MXWMWZCHZDUKSV-UHFFFAOYSA-N 388.271 3.697 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1ccc(OC(C)C)cc1)CC(O)=N2 31819052 AKBGBQAWHIPEBI-OAHLLOKOSA-N 379.420 3.587 0 40 GHAB O=S(=O)(NCC1(c2ccccc2)CCOCC1)c1cccc(C(F)(F)F)c1 30426160 CPNWSYJCLFUTCV-UHFFFAOYSA-N 399.434 3.732 0 40 GHAB CCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 72372953 OLNQMMJKIZPAPU-FQEVSTJZSA-N 378.520 3.854 0 40 GHAB CC(=O)N1CCC(N2CCC(c3nccnc3Oc3cccc(C)c3)CC2)CC1 72363019 XCAVNBVYJSCJMN-UHFFFAOYSA-N 394.519 3.768 0 40 GHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1cccc(CN2CCOCC2)c1 224751942 QVZCRHQYHULPAT-QFIPXVFZSA-N 396.531 3.609 0 40 GHAB O=C(O)[C@@H](c1cccnc1)N1CCC(c2ccccc2Br)CC1 568067537 YFBZHEYWKDULHK-QGZVFWFLSA-N 375.266 3.849 0 40 GHAB CN1CCN(c2cccc(-c3noc(-c4cccc(C(F)F)c4F)n3)n2)CC1 528149183 RMRQFKQOOROGCT-UHFFFAOYSA-N 389.381 3.627 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 225062046 NSBTYLWQNMIYEF-HXUWFJFHSA-N 380.532 3.832 0 40 GHAB O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccccc1CN1CCCC1 224770255 JPEZSWWYBLQPJY-UHFFFAOYSA-N 399.494 3.712 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 225391467 VMJQWNQWIROBNA-JOCHJYFZSA-N 396.531 3.961 0 40 GHAB Cc1noc(C)c1CCC(=O)OC1CN(c2nc3c(F)cc(F)cc3s2)C1 77101440 CIJQLPCAEOQAAQ-UHFFFAOYSA-N 393.415 3.544 0 40 GHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC(c2nc(-c3cccs3)no2)C1 49484387 UETMESCVUSUIGC-UHFFFAOYSA-N 395.362 3.936 0 40 GHAB COc1ccc(NC(=O)c2ccc3ccc(N4CCN(C(C)C)CC4)n3c2)cc1 96156091 WTWSLUWATXXNQQ-UHFFFAOYSA-N 392.503 3.731 0 40 GHAB Cc1occc1C(=O)N1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1 96242549 GXIWOBNARNTVAX-UHFFFAOYSA-N 388.471 3.572 0 40 GHAB COc1cc(N2CCC3(CC2)C[C@H](c2ccccc2)CN(C2CC2)C3)ncn1 95368302 VJXKCIGRKHKCMO-IBGZPJMESA-N 378.520 3.724 0 40 GHAB COc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]3C=C[C@H]2C32CC2)N2CCCC2)cc1OC 248138610 PLUXIVOCQBOAPH-WTGUMLROSA-N 396.531 3.559 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)cc1 244058490 TXIJGJHGZCEILE-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB O=C(C1CC1)N1CCCc2cc([C@H](O)CN3CC[C@H]4CCCC[C@H]4C3)ccc21 247757058 FCLGTCLZAQCHJG-FRGLQRNOSA-N 382.548 3.921 0 40 GHAB O=C(COc1cccnc1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257304152 SKGUSZDVHYNZPL-FQEVSTJZSA-N 395.434 3.932 0 40 GHAB O=C(Cc1noc2ccc(F)cc12)N1CCOC[C@H]1c1nc2ccccc2s1 585140099 FTJSEJRHZCJUAO-INIZCTEOSA-N 397.431 3.719 0 40 GHAB O=C(Nc1cccc(OC(F)F)c1)c1ccnc(OCC2CCOCC2)c1 253473874 ZKKJCVVCYJUYFJ-UHFFFAOYSA-N 378.375 3.741 0 40 GHAB CN(C)C(=O)c1sc2ncccc2c1C1CCN(Cc2cncs2)CC1 257333037 XZVDLZNGNJWKDS-UHFFFAOYSA-N 386.546 3.834 0 40 GHAB CCn1cc(C2CCN([C@H](C(=O)O)c3ccccc3Br)CC2)cn1 659786929 QFUAQHUBASYXGD-KRWDZBQOSA-N 392.297 3.671 0 40 GHAB COc1ccc(C[C@@](C)(O)CNC(=O)Cc2ccc(SC(C)C)cc2)cc1 90595582 WWRGTYSMQNCPEG-JOCHJYFZSA-N 387.545 3.848 0 40 GHAB Cc1noc(C)c1CN1C(=O)CC[C@@]12CCCN(CCc1ccccc1)CC2 585099792 AAPBBRSWRFEYBF-HSZRJFAPSA-N 381.520 3.881 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1 2183855 DMRMFMSEROAGAO-XDHOZWIPSA-N 377.444 3.650 0 40 GHAB O=C(CSc1nnc(C2CCCCC2)n1-n1cccc1)Nc1nccs1 5143039 VNYRMPDKCJSONF-UHFFFAOYSA-N 388.522 3.626 0 40 GHAB Cc1cnc(NC(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)s1 12252805 DEQZMMJYPUMGSA-UHFFFAOYSA-N 386.502 3.664 0 40 GHAB CCC(=O)c1ccc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12568889 ZOWCAGHYINGNGW-LJQANCHMSA-N 395.455 3.793 0 40 GHAB CC[C@@H](C(=O)NC1CCCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716461 ZHCXCFDAIUFUFD-IBGZPJMESA-N 380.554 3.687 0 40 GHAB CC(=O)Nc1cc2ccccc2nc1C1CCN(Cc2cnc(C)nc2)CC1 19287208 JDFVZOBQFVRFFM-UHFFFAOYSA-N 375.476 3.671 0 40 GHAB c1cncc(Oc2nc(N3CCCC3)nc3c2CCN(Cc2cccs2)C3)c1 19339887 OMNAQIQGKRAMRJ-UHFFFAOYSA-N 393.516 3.884 0 40 GHAB O=C(NCC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccccn3)C2)no1 19401676 AOZKHQNTNITMQI-GOSISDBHSA-N 382.508 3.759 0 40 GHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)CC)C1 19498472 ZPVXBCIEAJXBOS-HSZRJFAPSA-N 382.479 3.800 0 40 GHAB CCC(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CCN(CC1CCCCC1)C2 19498861 QRADERUOQQYNGU-LJQANCHMSA-N 386.540 3.584 0 40 GHAB Cc1ccc2[nH]c(Cc3ccc(NC(=O)CCc4nc(C)no4)cc3)nc2c1 19719230 YMZBOXBNYPALQT-UHFFFAOYSA-N 375.432 3.725 0 40 GHAB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1Cc1ccccc1 8477447 BCPZWYUCFFRVMS-DEDYPNTBSA-N 391.471 3.558 0 40 GHAB COc1cc(/C=C/C(N)=O)cc(Br)c1OCc1ccc(C)cc1 226335655 RJMWXXVVRCGRQE-BQYQJAHWSA-N 376.250 3.844 0 40 GHAB CCN(C(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl)c1nc2ccccc2s1 7653672 VJBXGKNBOMWFFY-OAHLLOKOSA-N 387.288 3.776 0 40 GHAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CN1C(=O)COc2ccccc21 30317037 HMVOHZHRMYQSKU-LBPRGKRZSA-N 393.270 3.938 0 40 GHAB Cc1cnc2c(S(=O)(=O)NCc3cccnc3OC3CCCC3)cccc2c1 30433931 BAIGPZBXQKLVMZ-UHFFFAOYSA-N 397.500 3.738 0 40 GHAB CCOc1ccc(C(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)cc1OCC 4032833 XOFGUTWDFBFDHA-UHFFFAOYSA-N 394.471 3.606 0 40 GHAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3C)nc2O)cc1 4317371 NKIXPAQKZKSGMK-UHFFFAOYSA-N 394.500 3.824 0 40 GHAB COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccncc2)cc1OC 4329888 KIWJEKKLCPQPLY-FQEVSTJZSA-N 378.432 3.537 0 40 GHAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1 5259381 KAFACSSXFOERJQ-UHFFFAOYSA-N 388.471 3.849 0 40 GHAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(Oc2ccccc2)c1 8843540 HUZDBNOJKGXBSI-IBGZPJMESA-N 376.416 3.922 0 40 GHAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccn(C)n3)sc2c1 11695560 KHVXOFNSOMSCAX-UHFFFAOYSA-N 393.472 3.671 0 40 GHAB CCn1nc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(C)cc3s2)cc1C 13703606 GWEDIEMRSIPGOL-HNNXBMFYSA-N 384.505 3.955 0 40 GHAB O=S(=O)(NCC1(c2cccs2)CC1)c1ccc(OC(F)(F)F)cc1 38593120 SWTZLHZOQMRLDW-UHFFFAOYSA-N 377.409 3.657 0 40 GHAB O=S(=O)(Cc1cc(F)ccc1F)NC[C@H](c1ccco1)c1cccs1 585147743 VUNDYBHCFDSZAG-CQSZACIVSA-N 383.441 3.871 0 40 GHAB CCOC(=O)[C@@H](CC)Sc1nnc(NC(=O)CCc2ccccc2)s1 4087893 RJWBSHJJFIYCMT-CYBMUJFWSA-N 379.507 3.543 0 40 GHAB O=C(CSc1ccc(Cl)cc1)NC(=S)Nc1ccccc1C(=O)O 5899430 XGZLVNZXQLGZRY-UHFFFAOYSA-N 380.878 3.644 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ncc(C)s3)CCCC2)c1 28965806 ALTPAMYEMWMZCJ-UHFFFAOYSA-N 378.519 3.794 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccccc1 873105 BNSRERXWHHWOSQ-UHFFFAOYSA-N 391.456 3.712 0 40 GHAB CNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 884165 WVUVIKPWONOQFY-UHFFFAOYSA-N 395.528 3.660 0 40 GHAB CCCS(=O)(=O)N1CCC[C@H](c2nc(-c3ccc(C(C)C)cc3)no2)C1 1360193 SEZCSRIYAUEYBW-KRWDZBQOSA-N 377.510 3.779 0 40 GHAB C[C@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=S)n2-c2ccc(F)cc2)C1 20567756 QXPGAPYCMYPNOO-CYBMUJFWSA-N 382.464 3.980 0 40 GHAB C[C@@H](NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)[C@@H]1CCCO1 2780628 TVHVDNWNFNFEMU-KOLCDFICSA-N 379.810 3.507 0 40 GHAB CCc1nc(SCC(=O)Nc2nnc(C)s2)c2c(C)c(C)sc2n1 4241055 FKDNJQNWFGXCBR-UHFFFAOYSA-N 379.536 3.761 0 40 GHAB O=C(Nn1c(Cc2cccs2)nc2ccccc2c1=O)c1ccc(F)c(F)c1 4891235 ISKKOLCOVRCFQR-UHFFFAOYSA-N 397.406 3.711 0 40 GHAB C[C@@H]1CN(C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C2CC2)C[C@@H](C)O1 6523593 LIJYTSIXEYONSM-OPRDCNLKSA-N 379.810 3.630 0 40 GHAB CCc1nnc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccc3n12 7504189 OKKMXCYPDBVVOT-UHFFFAOYSA-N 392.894 3.820 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3cccc(NC(C)=O)c3)o2)cc1 7604974 UAMJWLKQKNHNAN-UHFFFAOYSA-N 383.429 3.679 0 40 GHAB O=C(COc1cccc(Cl)c1)Nc1ccccc1C(=O)NCc1ccco1 7890770 QINVYWYRYDIHLZ-UHFFFAOYSA-N 384.819 3.881 0 40 GHAB CC(C)CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810327 ZUXOBRPJLZAODW-UHFFFAOYSA-N 384.860 3.666 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 8959336 QJZPFSBRQGYDET-UHFFFAOYSA-N 382.460 3.648 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)ccc2o1 32818762 PDCSKMVTRYFOTI-UHFFFAOYSA-N 387.461 3.749 0 40 GHAB COc1ccc([C@H](CNC(=O)c2ccc(COc3ccccc3)o2)N(C)C)cc1 32960885 RJFKKJHZWMDFAO-NRFANRHFSA-N 394.471 3.900 0 40 GHAB Cc1ccc(-c2onc3ccc(C(=O)N4CCC5(CC4)OCCO5)cc23)cc1 9529011 RWOQZTKEZGOTFP-UHFFFAOYSA-N 378.428 3.782 0 40 GHAB COc1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 2713238 OSEACQRXCITBIS-UHFFFAOYSA-N 376.338 3.855 0 40 GHAB CC(=O)Nc1nc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cs1 53837745 OEWPKPVMOGOSHI-UHFFFAOYSA-N 391.456 3.977 0 40 GHAB CN(C)[C@@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)c1cccc(F)c1 23114137 IBXZMYTWTJEEFR-QFIPXVFZSA-N 393.462 3.832 0 40 GHAB O[C@H](COc1c(Cl)cccc1Cl)CN1CCN(c2ccccc2)CC1 23386639 KHVFQJXVKZJFIO-INIZCTEOSA-N 381.303 3.555 0 40 GHAB COc1ccc(CN(C)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cc1 23383657 DTMMXPXNSWKELI-UHFFFAOYSA-N 387.524 3.611 0 40 GHAB C[C@@H](NC(=O)c1cccc(Cl)c1)[C@@H](c1cccs1)N1CCN(C)CC1 22460006 CBSHKRGBEYFKGH-KDOFPFPSSA-N 377.941 3.509 0 40 GHAB CC(C)n1ncc2cc(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)cnc21 25250197 SMNXUAJYLHDHRA-UHFFFAOYSA-N 386.459 3.818 0 40 GHAB Cc1cc(Cl)cc(C)c1OCC(=O)N[C@H](c1ccccc1)c1nccn1C 12580176 KBBPKBZZXCNOMN-LJQANCHMSA-N 383.879 3.975 0 40 GHAB Cc1cc(C(=O)CCC(=O)N[C@H](c2ccccc2)c2nccn2C)c(C)s1 12535342 DFKARSIGJSPXOY-HXUWFJFHSA-N 381.501 3.967 0 40 GHAB O=C(NC1CCCCCC1)c1ccc(Cn2cnc3ccccc3c2=O)cc1 36358351 QBKRHFGFQFTXTP-UHFFFAOYSA-N 375.472 3.897 0 40 GHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)/C=C/c1ccc2c(c1)OCO2 3210604 VUIXTBRWDAFYBJ-OUXAZZEQSA-N 376.456 3.571 0 40 GHAB CN(C)CCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 3250296 GRJIXOUCOZIVOK-UHFFFAOYSA-N 398.304 3.956 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 68022757 LWEDIZIYZWVDEN-UHFFFAOYSA-N 395.503 3.951 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccc(OC(F)(F)F)cc1 12755566 RNZUXLBPOISBAB-OAHLLOKOSA-N 396.365 3.567 0 40 GHAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(OC(C)C)cc2)cc1 12896120 ZLAADSCRDLTISI-QFIPXVFZSA-N 382.504 3.586 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)Nc2ccccc2)cc1 12929563 RBMFSLNMBXQMPB-FQEVSTJZSA-N 381.476 3.961 0 40 GHAB CCc1cccc(N2C[C@@H](C(=O)Nc3cccc(NC(C)=O)c3C)CC2=O)c1 12927715 YHRQMVNSGGSFTD-KRWDZBQOSA-N 379.460 3.507 0 40 GHAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 12988997 LOXVGKQFQCGZAR-OAHLLOKOSA-N 389.499 3.925 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 12946819 RVCJJKDGUWCDSK-MRXNPFEDSA-N 392.459 3.743 0 40 GHAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 16016994 HOBSOEXNALEESX-LBPRGKRZSA-N 383.473 3.966 0 40 GHAB CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)cc1 7798806 QBKYTYGDKLFZNH-UHFFFAOYSA-N 393.472 3.608 0 40 GHAB COCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)o1 16198059 FBZWRELUSMRFMV-JTQLQIEISA-N 385.388 3.925 0 40 GHAB Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 49549387 XRVWDPGFAIBUDM-INIZCTEOSA-N 384.432 3.683 0 40 GHAB COc1ccc2c(ccn2CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 13693171 IQURFLONFUUYTA-UHFFFAOYSA-N 384.432 3.705 0 40 GHAB O=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 49658041 USGUNUCSIWALHI-OAHLLOKOSA-N 387.480 3.579 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1cccc(OCc2cn3ccccc3n2)c1 17577569 PRDFVKMVUGLVRW-UHFFFAOYSA-N 387.395 3.894 0 40 GHAB CCOc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)c1ccco1 408845837 RXQSMLOYBCWAFG-SDNWHVSQSA-N 393.351 3.835 0 40 GHAB O=C(Cc1ccccc1)NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1 6276822 ONFQZHURNBAUFV-UHFFFAOYSA-N 388.452 3.946 0 40 GHAB Cc1c(CCC(=O)NCc2c(F)cccc2Cl)c(=O)oc2cc(O)ccc12 5203182 AIKSKDVFPOZRMV-UHFFFAOYSA-N 389.810 3.849 0 40 GHAB COc1cc(OC)c2c(C)c(CC(=O)NC3CCCCCCC3)c(=O)oc2c1 5272501 KITKLIZQYCSQHX-UHFFFAOYSA-N 387.476 3.890 0 40 GHAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccc(OC)cc2)CC1=O 6378112 SGROADNCDWXVIW-AEFFLSMTSA-N 380.488 3.878 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)o2)cc1 4475439 AIXDMVSIDYUFCZ-XJKCOSOUSA-N 375.494 3.778 0 40 GHAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccccc2F)S(C)(=O)=O)c1 408705484 GVXREVADOALMDZ-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB O=C(CN1CCCCCCC1)Nc1cccc(-c2nnc3n2CCCCC3)c1 14085753 QWTIMUIFTIRBPK-UHFFFAOYSA-N 381.524 3.876 0 40 GHAB O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 14000273 VPKKATROBLPNEO-IBGZPJMESA-N 388.467 3.930 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)CSc2ncnc3ccsc23)c1 14085917 SPAKLQIPXIGXSH-LLVKDONJSA-N 389.502 3.678 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CCNC(=O)CCC(=O)c1cccs1 14120460 WRRWHYLIJDPCJN-UHFFFAOYSA-N 378.881 3.818 0 40 GHAB CCSc1nnc(SCC(=O)Nc2cc(C)nn2-c2ccccc2)s1 6579712 IRTKUEPAVLRAMK-UHFFFAOYSA-N 391.547 3.875 0 40 GHAB O=C(Cc1nc(-c2cccc(N3CCCC3=O)c2)cs1)NCc1ccccc1 8103617 ANWBGIIEOVWTTQ-UHFFFAOYSA-N 391.496 3.796 0 40 GHAB Cc1ccccc1C(=O)OCc1nc2ccccc2[n+]([O-])c1C(=O)c1ccccc1 5562066 DTXCXXAOIYLQEE-UHFFFAOYSA-N 398.418 3.765 0 40 GHAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)c(OC)c1 14898890 PJQZPVMXMYBVBY-UHFFFAOYSA-N 392.415 3.806 0 40 GHAB O=C(c1ccccc1C(F)(F)F)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 6850059 AVWDWRIUTUBWOU-OAHLLOKOSA-N 397.418 3.535 0 40 GHAB C[C@@H](NC(=O)c1ccccc1NC(=O)COC(=O)c1ccco1)c1ccccc1 5856937 UVQNBYAXERPALF-OAHLLOKOSA-N 392.411 3.566 0 40 GHAB COc1cc(C)c(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1OC 25910994 VKUYNCDAKYPPHD-UHFFFAOYSA-N 382.464 3.551 0 40 GHAB COc1ccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)c(OC)c1OC 15017179 FMEPVDPPCIJXAH-ZDUSSCGKSA-N 392.249 3.753 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2cccc(F)c2)cc1 4928849 IYWGAWSLRXEQLV-IBGZPJMESA-N 379.391 3.784 0 40 GHAB COc1ccc(-c2nc(COC(=O)Cc3c(C)noc3C)cs2)cc1OC 8391015 LNUDEEJWPRXCEH-UHFFFAOYSA-N 388.445 3.718 0 40 GHAB Cc1ccc(C)c(OCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 7007774 DIJKLWIPNVMLGD-UHFFFAOYSA-N 379.460 3.509 0 40 GHAB O=c1c(Cl)c(Cl)cnn1CN1CCC(c2nc3ccccc3o2)CC1 9602194 ZRFFKJXFPVCEEO-UHFFFAOYSA-N 379.247 3.528 0 40 GHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 9683293 RKJVNGUALFTFSL-UHFFFAOYSA-N 399.535 3.587 0 40 GHAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2CN(Cc3cccs3)C[C@H]21 306129649 IJABNFHYUIHZCY-AZUAARDMSA-N 382.510 3.565 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060427 VHPSUDRWULOSHT-SNVBAGLBSA-N 391.262 3.515 0 40 GHAB O=C(CCc1ccc2c(c1)CCO2)N1CCC(c2nc3ccccc3[nH]2)CC1 96118660 PXEFHJJYNNTHLC-UHFFFAOYSA-N 375.472 3.837 0 40 GHAB Cc1nc(COc2ccccc2C(=O)Nc2nc(-c3cccnc3)cs2)no1 96997507 ZFIZMEUWPZXUAZ-UHFFFAOYSA-N 393.428 3.728 0 40 GHAB CN(Cc1ccc(CNC(=O)CSC(F)(F)F)cc1)C(=O)OC(C)(C)C 84199837 AVGADKCDLDXOAZ-UHFFFAOYSA-N 392.443 3.923 0 40 GHAB Cc1cccnc1NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Br)c1C 27936271 ZPNVSCZXHNOKBO-VIFPVBQESA-N 391.191 3.876 0 40 GHAB CCCn1c(SCC(=O)Nc2cc(F)cc(F)c2)nc2ccccc2c1=O 9936264 JTUWPKBLQMEKGS-UHFFFAOYSA-N 389.427 3.816 0 40 GHAB COc1ccccc1C(=O)Nn1c(CCC(=O)O)ccc1-c1ccc(C)cc1 408969795 UTVDWXQVMWGRRP-UHFFFAOYSA-N 378.428 3.873 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1Cl 408551749 IOCWGKQOSYDERM-CYBMUJFWSA-N 388.876 3.799 0 40 GHAB Cn1ccnc1[C@H]1C[C@@H](NC(=O)Nc2cccnc2-c2ccccc2)CCO1 516849761 LXCNQIUWGNKDBZ-FUHWJXTLSA-N 377.448 3.524 0 40 GHAB CCOC(=O)N[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)CC(C)C 31704172 AVLCGOALYZECOP-MRXNPFEDSA-N 376.428 3.976 0 40 GHAB CCCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1-c1cccnc1 35311072 YNKRHFDPSAYKCB-OAHLLOKOSA-N 393.516 3.820 0 40 GHAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccccc1OC)CC(C)(C)O2 219503342 BYHQXSLQPWOPLS-YOEHRIQHSA-N 385.460 3.890 0 40 GHAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 71945810 SYEAWPUNJSZGIV-UHFFFAOYSA-N 387.483 3.914 0 40 GHAB CCOC(=O)COc1cccc(NC(=O)Cc2ccc(Br)cc2)c1 32034836 SAJYPIOCNWWHKS-UHFFFAOYSA-N 392.249 3.572 0 40 GHAB Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CCCCN2C(=O)c2nccn2C)n1 72384415 PAFCANQSPOUUMW-KRWDZBQOSA-N 395.438 3.817 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 72383452 ORVHQOZWFPWNQZ-ZDUSSCGKSA-N 375.498 3.866 0 40 GHAB CCCSc1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1 224569448 CZZMBOKEDIIHAO-UHFFFAOYSA-N 394.341 3.604 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 223769032 SMQWTBMCVJLDDE-UHFFFAOYSA-N 389.502 3.588 0 40 GHAB COc1ccc(CN(C)C(=O)c2ccc(Cn3ccnc3C)cc2)cc1OC 225299064 GHKAFVGPYSCZTF-UHFFFAOYSA-N 379.460 3.529 0 40 GHAB COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)C1 45887508 KRTSFYGKPGFKEI-LBPRGKRZSA-N 384.819 3.983 0 40 GHAB COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccc4c(c3)OCCO4)ccc2c1 222741211 FAJICWPCZZCLCB-CQSZACIVSA-N 399.468 3.659 0 40 GHAB CC[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl)c1ccc(C)cc1 222522452 YBZYEFGKSRTRIK-SFHVURJKSA-N 394.924 3.925 0 40 GHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225677002 NNHJRQUWPXHMRR-CQSZACIVSA-N 379.334 3.944 0 40 GHAB Cc1ccc(C)c(OCCNS(=O)(=O)Cc2cccc(Br)c2)c1 224043755 VRWUQGANYHLUPK-UHFFFAOYSA-N 398.322 3.564 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(SC)c3)c(Cl)cc21 223365038 HTNQFVKVOUUCAG-UHFFFAOYSA-N 398.893 3.791 0 40 GHAB CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225098317 UGKQNVZCDSRAQF-UHFFFAOYSA-N 388.258 3.812 0 40 GHAB COc1cc(-c2ccnc3nc(CCC4CCCC4)nn23)cc(OC)c1OC 95477920 YJHRUJGGHSLBHZ-UHFFFAOYSA-N 382.464 3.940 0 40 GHAB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(C(=O)O)cc1)SCC(O)=N2 95476152 KSPAORZZYDHFDG-KRWDZBQOSA-N 380.429 3.698 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)cc1F 248119131 RAJYTRIPGQNCCS-IBGZPJMESA-N 375.484 3.962 0 40 GHAB C[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)c2ccc(O)nc2)C1 257298528 RMCPOGCRZJPNQZ-QFIPXVFZSA-N 395.434 3.699 0 40 GHAB O=S(=O)(Cc1ccccc1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 255190110 VBPIXEIPKYEPAO-UHFFFAOYSA-N 386.494 3.634 0 40 GHAB COc1ncc(Br)cc1CNC(=O)N[C@@H](C)C1CCC(F)CC1 624381393 MWYPCUUBHYQUFB-IFQILLTASA-N 388.281 3.569 0 40 GHAB CN1CCC[C@H](CCNC(=O)c2cc3ccccc3n2Cc2ccncc2)C1 616234375 UCSHILLNDLJXSF-GOSISDBHSA-N 376.504 3.546 0 40 GHAB O=C(NCc1ccccc1COc1ccccc1Cl)N1C[C@H](O)C[C@@H](F)C1 1616044210 VXBMCBMKQOZOOV-IAGOWNOFSA-N 392.858 3.533 0 40 GHAB O=C([C@@H](c1ccccc1)N1CCc2ccccc21)N1CCC(C2(O)CC2)CC1 652664977 YQSFMWNCPDXPLO-JOCHJYFZSA-N 376.500 3.554 0 40 GHAB CC(C)[C@@H]1c2ccccc2CCN1C(=O)CCn1cnc2ccccc2c1=O 675677895 AGYMNXSLLQULPB-JOCHJYFZSA-N 375.472 3.569 0 40 GHAB O=C(CO)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 585263086 JLICLKNQAYTNCB-UHFFFAOYSA-N 394.500 3.647 0 40 GHAB C[C@]1(O)CN(C(=O)Cc2cccc(Cl)c2)CC[C@@H]1Oc1cccc(Cl)c1 585262224 JCXOPWIOTAJBEP-ICSRJNTNSA-N 394.298 3.967 0 40 GHAB O=C(OCc1cccc(OCC(F)(F)F)c1)c1ccc(-n2cnnc2)cc1 67220228 QNQZTTICTPUANP-UHFFFAOYSA-N 377.322 3.565 0 40 GHAB C[C@H](NC(=O)CN[C@H](C[S@](C)=O)c1ccccc1)c1cccc2ccccc12 95462645 FCMQYQPWECFJKK-OOFIYHFUSA-N 394.540 3.726 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)s1 11517667 JRUOKBULOQUMSM-UHFFFAOYSA-N 375.450 3.688 0 40 GHAB O=C(N1CCC(n2c(=O)oc3ccccc32)CC1)C12CC3CC(CC(C3)C1)C2 12184590 FKPFZVJQZKKVQI-UHFFFAOYSA-N 380.488 3.974 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2C)cc1 14091613 GYBYTDDGMVNIBD-UHFFFAOYSA-N 396.516 3.708 0 40 GHAB O=C(Nc1cccc2c1CCCC2)c1cccc(S(=O)(=O)N2CCCCC2)c1 15302716 ZLRFRFASVQGDGU-UHFFFAOYSA-N 398.528 3.992 0 40 GHAB COc1ccc2c(C(F)(F)F)cc(S[C@H]3CCS(=O)(=O)C3)nc2c1 16227844 XQRFEPFJNXRWKZ-JTQLQIEISA-N 377.409 3.541 0 40 GHAB CC(C)c1nc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)cc2s1 19453827 XOANWWBMTYJTDY-AWEZNQCLSA-N 394.500 3.802 0 40 GHAB CCC(=O)N1CCN(CC)C(=O)[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1 19498930 VRFUSRVZYWCBDR-NRFANRHFSA-N 378.516 3.921 0 40 GHAB COc1cccc(CN2CCCC[C@H]2c2cc(O)nc(-c3ccncc3)n2)c1 19565237 ZLBMPQVSIVCJIY-FQEVSTJZSA-N 376.460 3.980 0 40 GHAB COc1ccc(C)cc1/N=C1/NC(=O)/C(=C/c2cccc(OC)c2OC)S1 6189449 KREYWTHFBJJHAP-BOPFTXTBSA-N 384.457 3.912 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 6271282 MSNVHTSRIZZGMP-LFYBBSHMSA-N 390.892 3.776 0 40 GHAB Cc1ccc(OCC(=O)Nc2cc(Br)c3nc(N)sc3c2)cc1 226312201 KFUDYBFVUXOOPR-UHFFFAOYSA-N 392.278 3.967 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)cs1 13225293 AOPGAONDPCJSSQ-HNNXBMFYSA-N 379.485 3.723 0 40 GHAB Cc1ccsc1CN1CCC[C@H](c2ncc(Cl)cc2S(C)(=O)=O)C1 19238630 GPDMCDWIELGVGD-ZDUSSCGKSA-N 384.954 3.888 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2ccc(F)c(F)c2)c(C(=O)OCC)c1C 1004506 SVVAQSXCEDNUMU-UHFFFAOYSA-N 397.399 3.940 0 40 GHAB Cc1nc(C)c(CN2CCN(c3cc(C(F)(F)F)nc(C4CC4)n3)CC2)s1 1888850301 AREGOZKXNIEOEJ-UHFFFAOYSA-N 397.470 3.768 0 40 GHAB CS(=O)(=O)c1cc(C(=O)Nc2ccccc2OC(F)(F)F)ccc1Cl 27824153 SIFHSDDYEQEXCJ-UHFFFAOYSA-N 393.770 3.894 0 40 GHAB COc1ccc(CSc2nnc(S[C@H]3CCCCNC3=O)s2)cc1 28248853 SEXFQXGIEMSPQH-ZDUSSCGKSA-N 381.548 3.600 0 40 GHAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 29305898 FFZHZYXOSBKVFD-UHFFFAOYSA-N 392.440 3.928 0 40 GHAB Cc1noc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3F)C[C@@H]2c2ccccc2)n1 238884968 PVZCVHZBUQQPHN-ZTFGCOKTSA-N 395.434 3.694 0 40 GHAB CCOc1ccc(-n2ccnc2SCC(=O)NCCc2ccccc2)cc1 2723232 PQJBMENTBYTTKS-UHFFFAOYSA-N 381.501 3.722 0 40 GHAB Cc1cccc(-c2nc(CCNS(=O)(=O)c3ccccc3F)cs2)c1 4570707 BUWKPFIPSCJEKN-UHFFFAOYSA-N 376.478 3.779 0 40 GHAB C[C@H]1C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccccc4Cl)cc1c32 5153991 DBSBOKCQMBKXTI-LLVKDONJSA-N 376.865 3.537 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CCCn1nc(-c2ccccc2)ccc1=O 11693291 SWQPGXCUIZBADA-UHFFFAOYSA-N 397.862 3.991 0 40 GHAB O=C(Cc1csc(Nc2ccccc2)n1)N1CCN(Cc2ccccc2)CC1 16849992 GZSHPUSNLXGJHT-UHFFFAOYSA-N 392.528 3.774 0 40 GHAB O=C(CSc1ccc(F)cc1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 206841005 QXYUVCKKPGCRRW-MRXNPFEDSA-N 399.447 3.593 0 40 GHAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc2ncsc2c1 207997101 NNQRNUMPNCTUJZ-HNNXBMFYSA-N 392.440 3.585 0 40 GHAB O=C(NCc1cccs1)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 49030431 IVXJQNUXAFEDNI-OAHLLOKOSA-N 385.489 3.847 0 40 GHAB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1 2405164 SYZHVGDCYNHGGT-LJQANCHMSA-N 396.874 3.943 0 40 GHAB COc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 36724124 RZALIKBPYAOKAP-MRXNPFEDSA-N 384.501 3.588 0 40 GHAB COc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@@](O)(C(F)(F)F)C2)cc1 722551 HEGGQUXTOOENMF-KRWDZBQOSA-N 398.768 3.850 0 40 GHAB Cc1cccc(C)c1NCc1nnc(SCC(=O)Nc2ccccc2)n1C 878148 PRFWGEDNZKGWRG-UHFFFAOYSA-N 381.505 3.775 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(COc2ccc(I)cc2)o1 1001976 GQGJAWVHROUWEW-LLVKDONJSA-N 399.228 3.992 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1Cl 1363571 RURMOQFCOVONPG-HNNXBMFYSA-N 392.908 3.688 0 40 GHAB CCCOc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nncn3C)c2)cc1 31808861 GBDUUZODVGLDEM-UHFFFAOYSA-N 392.459 3.873 0 40 GHAB Cn1nccc1-c1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1 2809153 NMHLLLXKHGFEMZ-UHFFFAOYSA-N 389.847 3.720 0 40 GHAB CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2o1 32097487 PQKJJUGGTUPIJN-UHFFFAOYSA-N 388.445 3.697 0 40 GHAB Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1S(=O)(=O)N1CCCCCC1 7881133 NBPBLGJKHPQMTI-UHFFFAOYSA-N 394.581 3.970 0 40 GHAB Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)[nH]c2c1C(=O)CCC2 32772762 KAKBLHOJHCSBKC-IBGZPJMESA-N 396.878 3.748 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(CN2CCCC2)cc1 8430014 MHDMAIIDZZQDDM-UHFFFAOYSA-N 392.421 3.996 0 40 GHAB COc1ccc(F)cc1C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 32898855 VJNLOFYILZTBTG-UHFFFAOYSA-N 385.435 3.847 0 40 GHAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(N2CCOCC2)cn1 32924492 JYDGXEMBWOFRNE-LBPRGKRZSA-N 396.274 3.631 0 40 GHAB CN(Cc1ccccc1)C[C@H](O)Cn1nc2c3c(cccc31)C(=O)c1ccccc1-2 60343652 OOVUAJUBANHHPC-SFHVURJKSA-N 397.478 3.741 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)n1 116181317 CNFSYPNFXSYXSG-UHFFFAOYSA-N 376.504 3.805 0 40 GHAB CC(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)C1 37176211 ZVYGBVIXZIUFNX-APWZRJJASA-N 388.508 3.987 0 40 GHAB O=C(CN1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1)NC1CCCC1 54342308 CLJDNGSYZNOIOV-UHFFFAOYSA-N 383.319 3.947 0 40 GHAB O=C(NC1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1)c1ccncc1 42715799 QCOFODYSGBYJFO-UHFFFAOYSA-N 397.544 3.837 0 40 GHAB COc1ccc(NC(=O)C[C@H](C)NC[C@@H](c2cccs2)N2CCCC2)cc1 23249370 CEGXHAUTNCZCFV-LPHOPBHVSA-N 387.549 3.901 0 40 GHAB CCc1ncc2c(n1)CN([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)CC2 106374976 FCGHGMOKCRHVHN-QFIPXVFZSA-N 390.462 3.916 0 40 GHAB S=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1cccs1 25538446 DOPGKIPZYUQRAT-UHFFFAOYSA-N 375.563 3.669 0 40 GHAB CC/C(Nc1ccc2c(c1)CCC2)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 9089630 OHEFCSGYYOVPHM-FMQUCBEESA-N 389.455 3.843 0 40 GHAB Cn1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c2ccccc21 26897655 OTUOVZBAIYKSKH-UHFFFAOYSA-N 387.483 3.875 0 40 GHAB CCN(CC)C(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 58013841 KFNKIUHOCACMHV-NRFANRHFSA-N 388.533 3.581 0 40 GHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc(Cl)c2c(c1)OCO2 10276486 HBKOUDISIXZLRB-UHFFFAOYSA-N 389.795 3.764 0 40 GHAB Cc1c(C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)oc2ccccc12 58208780 XNYQQIXOPQZGLX-UHFFFAOYSA-N 377.444 3.695 0 40 GHAB S=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1CCOc2ccccc21 58377614 BJLKBJDOURUUSU-FQEVSTJZSA-N 381.545 3.639 0 40 GHAB CCOC(=O)CSc1nnc2c3c4c(sc3nc(SCC)n12)CCC4 2266812 CINOZUBBOIIDTQ-UHFFFAOYSA-N 394.547 3.595 0 40 GHAB CCN(Cc1ccccc1)C(=O)COC(=O)Cc1ccc(Br)cc1 3240797 QBNHWXCTLZJEPT-UHFFFAOYSA-N 390.277 3.584 0 40 GHAB Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c(C)o1 12761360 UFZCDNBWYHOQML-UHFFFAOYSA-N 392.411 3.807 0 40 GHAB CN(C)CCOc1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1 48356040 XGXLYWWEPAOWMA-UHFFFAOYSA-N 380.410 3.505 0 40 GHAB O=C(NCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1F 3477516 ZWZKQRSDZCCJHF-UHFFFAOYSA-N 397.475 3.571 0 40 GHAB C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc2c(c1)OCO2 3476430 MTXAZEOWATVBGT-LBPRGKRZSA-N 387.457 3.930 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)CSCc2nc3ccccc3s2)cc1 8374411 BIOBQDKOPTTZCC-UHFFFAOYSA-N 399.541 3.935 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccccc2F)c(OC)c1 12987180 VBCJVHLLXMZRFK-HXUWFJFHSA-N 386.467 3.638 0 40 GHAB Cc1cc(=O)c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)nn1-c1ccccc1C(F)(F)F 13003042 UUULOSXVHDLJPF-BETUJISGSA-N 393.409 3.678 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(Cl)nc1 8423279 HZHUYWJEWQBQRE-UHFFFAOYSA-N 396.672 3.517 0 40 GHAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3nnc4ccccn34)c2C)cc1 6114663 PNKIFYSBHJMSNZ-UHFFFAOYSA-N 392.488 3.571 0 40 GHAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)c1 8413742 BKCXPKXTARDEFL-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB COc1cc(-c2noc(CCC(=O)Nc3ccccc3C)n2)cc(OC)c1OC 4384107 RZZOUGJLHFOVOM-UHFFFAOYSA-N 397.431 3.642 0 40 GHAB C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccc(-n2cncn2)cc1 5245872 MIESTBONVIFKLP-LBPRGKRZSA-N 375.259 3.994 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(-c2nnn[nH]2)cc1 14168376 YTXQKNIFUBUXRZ-UHFFFAOYSA-N 383.455 3.819 0 40 GHAB CCOc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1 5403603 UXXNOFPTANAOMX-UHFFFAOYSA-N 383.835 3.845 0 40 GHAB Cc1csc2nc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)cc(=O)n12 6583420 OOMCIAGHMVNWCN-UHFFFAOYSA-N 389.893 3.795 0 40 GHAB C[C@@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccc(Cl)cc1 5563451 TXPVFGCETHZNLK-GFCCVEGCSA-N 381.819 3.674 0 40 GHAB O=C(Cc1cccs1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 6648616 RGGDAXPWJCHKIM-UHFFFAOYSA-N 380.425 3.910 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C 4735882 DAMVHDNVEKLBRO-UHFFFAOYSA-N 386.452 3.751 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)NC2(CCCCCC2)C1=O 8777509 ZCCHDOQUADZFSK-UHFFFAOYSA-N 386.883 3.979 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(Br)cc2)cc1 67197434 AZXMSJBVANEJCZ-CYBMUJFWSA-N 376.250 3.792 0 40 GHAB Cc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 28943313 UIPDDRCHMPPGDL-UHFFFAOYSA-N 398.459 3.968 0 40 GHAB Clc1ccc(CNCCSc2nnnn2-c2ccccc2)c(Cl)c1 7540254 BKUJOTSKRMHWDL-UHFFFAOYSA-N 380.304 3.851 0 40 GHAB COc1ccc(CCC2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cc1 9114369 PGWVBLQMMPHCFN-UHFFFAOYSA-N 377.488 3.548 0 40 GHAB CCN1CCC[C@@H]1CN(Cc1ccc(N2CCCC2=O)cc1)Cc1ccccn1 19527127 SJCLZNYFZGJVQL-HSZRJFAPSA-N 392.547 3.695 0 40 GHAB Cc1cccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(Cl)cc2)c1 9237501 NKZDJPLQNPUNCC-SJORKVTESA-N 399.907 3.946 0 40 GHAB O=C(N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1)[C@@H]1CCCCS1(=O)=O 96011199 BBUVGCFEKLRHQU-OALUTQOASA-N 397.968 3.915 0 40 GHAB COc1cc2ccccc2cc1C(=O)Nc1ccc(CN2CCOCC2)cc1 19938173 CBFCUSQKTDQXKC-UHFFFAOYSA-N 376.456 3.933 0 40 GHAB biogenic,in-vitro CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1OC 408588802 ZBPSPBCRAXNPEF-UHFFFAOYSA-N 378.450 3.681 0 40 GHAB O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCC[C@H]1c1ccc[nH]1 84338983 DVJZOLWRUJITSO-HOCLYGCPSA-N 375.881 3.835 0 40 GHAB CCOc1ccc(NC(=O)CN(C)c2ccc(C(F)(F)F)cn2)cc1OCC 22343400 DDFZUOMVVUFHQM-UHFFFAOYSA-N 397.397 3.973 0 40 GHAB CN1CCN(Cc2ccoc2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 306130615 JKZTVHVEPCPTSN-LJQANCHMSA-N 379.489 3.540 0 40 GHAB O=C(c1ccccc1F)N1CC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306138479 RYMDBVVLRWSRGI-KRWDZBQOSA-N 387.418 3.560 0 40 GHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(C)c2)ccc1Cl 22527609 GODRLIMHXRCWAE-UHFFFAOYSA-N 383.853 3.635 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 20610380 NGKZRWXGGSVKNU-UHFFFAOYSA-N 382.420 3.669 0 40 GHAB CCCCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1OC 408619998 GDAHNGZLALJPLN-UHFFFAOYSA-N 384.432 3.847 0 40 GHAB CCc1nccn1-c1nccnc1[C@H]1CCCN(C(=O)CCc2ccccc2)C1 72350586 WQGWNOAMZADSPM-IBGZPJMESA-N 389.503 3.564 0 40 GHAB CC(C)C[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1nc2ccccc2[nH]1 526052624 WUZZWUMFSWFVCC-RTBURBONSA-N 376.460 3.641 0 40 GHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219320435 STBFVZQRVZHVPX-OAHLLOKOSA-N 393.867 3.840 0 40 GHAB COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(-c3ccccc3F)o1)C2 32072766 NRAWDGRZFSLNRV-INIZCTEOSA-N 386.404 3.793 0 40 GHAB COc1cccc(CN2CCN(c3ccccc3[C@@H](O)c3nccs3)CC2)c1 72340482 SGIRCWQEPNUCDU-OAQYLSRUSA-N 395.528 3.556 0 40 GHAB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44852528 XAJDMVMWLBNLBV-AZUAARDMSA-N 384.495 3.930 0 40 GHAB CC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C)cc1 40097194 LSQDVBZLAYOTOR-GOSISDBHSA-N 375.494 3.518 0 40 GHAB CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 222763646 NEUZPCDOLJLIBL-FQEVSTJZSA-N 396.531 3.578 0 40 GHAB C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN(Cc1ccc(F)cc1F)C1CC1)C2=O 48340530 PRWYNPLCPDIRNL-ZIAGYGMSSA-N 391.462 3.633 0 40 GHAB C[C@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccccc3)n2)C1 225929621 XJSSSMJCWAVBIC-ZDUSSCGKSA-N 375.929 3.853 0 40 GHAB CCc1ccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1 220262242 DLDDMWOWEBHRMG-ZDUSSCGKSA-N 380.897 3.696 0 40 GHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 224077290 KWOFZMACIIHDQO-UHFFFAOYSA-N 395.484 3.605 0 40 GHAB CN(c1cccc(C(=O)NC(C)(C)C)c1)S(=O)(=O)c1ccc(Cl)cc1 224265183 DDLFPFNGNAAJSZ-UHFFFAOYSA-N 380.897 3.693 0 40 GHAB COc1cc(C(=O)NCCOc2ccccc2C(C)(C)C)cc(OC)c1OC 223669164 YIEDETVJYGKPFP-UHFFFAOYSA-N 387.476 3.819 0 40 GHAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1)S(=O)(=O)CC 222403248 HAYIFGKKILQMSK-KRWDZBQOSA-N 388.533 3.970 0 40 GHAB CN(C)C1(CNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CCCC1 48342524 METDSDWJVIRVEI-UHFFFAOYSA-N 383.467 3.682 0 40 GHAB COc1cc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)cc(OC)c1OC 47355303 HRXJRNCXCZWGCU-UHFFFAOYSA-N 393.867 3.678 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)Cc1cccc(Cl)c1 223644478 ZKRCQHDOBUEHRB-UHFFFAOYSA-N 397.909 3.803 0 40 GHAB COc1ccc([C@H](NC(=O)Nc2csc(-c3ccccn3)n2)C2CC2)cn1 529050410 JKQHCMOJZWRVRS-QGZVFWFLSA-N 381.461 3.882 0 40 GHAB Cc1cc(-c2ccccc2C(=O)O)nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257272320 NBZCMYMMPJOAPD-HNNXBMFYSA-N 381.476 3.902 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)n1 257292353 QLCGIQWCGZTUKW-SFHVURJKSA-N 396.466 3.624 0 40 GHAB Fc1ccccc1-c1noc(-c2cncnc2NCc2ccc3c(c2)OCO3)n1 252505415 VRGWUQDSIUKBLM-UHFFFAOYSA-N 391.362 3.674 0 40 GHAB CCOc1ccc(N([C@H](C)C(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1 260795992 PWGRTBDICIGTCH-OAHLLOKOSA-N 398.569 3.571 0 40 GHAB Cc1c(-c2ccccc2)oc2c(C(=O)NC3(C(=O)O)CCCC3)cccc2c1=O 1607503044 WYBRJOKLNXDZJA-UHFFFAOYSA-N 391.423 3.896 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)N1CCC(c2nnc(C(C)C)o2)CC1 90590686 GIDMTDHFZQQPHT-UHFFFAOYSA-N 385.493 3.768 0 40 GHAB COc1cc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc(OC)c1 585289649 UCHMBBAMBGLMQD-PWRODBHTSA-N 391.895 3.808 0 40 GHAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)COc2ccc(N3CCCC3=O)cc2)o1 53194403 JQERDWBQBMYWCA-KXBFYZLASA-N 382.460 3.567 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3cnc4c(c3)c(C)nn4C)sc2C)cc1 55383110 BCURLQIWUKTJPC-UHFFFAOYSA-N 393.472 3.970 0 40 GHAB Brc1cnc(OC2CCN(CCCc3ccccc3)CC2)nc1 1201663304 FOJUUHKDWUWOGG-UHFFFAOYSA-N 376.298 3.715 0 40 GHAB CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(OC)cc1 5853325 JUYQFEYWGCLNQK-OAHLLOKOSA-N 396.516 3.943 0 40 GHAB O=C(Cc1ccc2c(c1)OCO2)N1CCC(c2onc3c2CCCCC3)CC1 12121222 AGSNXALPMKVYJJ-UHFFFAOYSA-N 382.460 3.621 0 40 GHAB C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1nc(-c2cccnc2)n[nH]1 13565316 KLPJWVZVEYVNMJ-SNVBAGLBSA-N 376.342 3.768 0 40 GHAB CCOc1ccc2[nH]/c(=N\C(=S)NC(=O)c3cc(C)cc(C)c3)sc2c1 17078733 MRTNVLRMALOXNL-UHFFFAOYSA-N 385.514 3.861 0 40 GHAB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1OC 8168741 MKOHWZZIBRFAEY-LICLKQGHSA-N 380.425 3.812 0 40 GHAB COc1cccc(C2=NO[C@H](C(=O)N3CCCCC[C@H]3c3cc(C)no3)C2)c1 19120109 ZXQXTNZBHRGXBE-ICSRJNTNSA-N 383.448 3.629 0 40 GHAB COc1ccc([C@@H]2CN(Cc3cccc(F)c3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285507 FIFQVABZFGWEAQ-LEWJYISDSA-N 393.462 3.609 0 40 GHAB CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccco3)CC2)n1 19450296 OHVMLLJKYOZDEG-UHFFFAOYSA-N 391.475 3.972 0 40 GHAB CCCN1CCC(C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)CC1 19502601 OFFSWJAXDFTAMQ-SFHVURJKSA-N 376.472 3.764 0 40 GHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C[C@@H]2CCOC2)C1 19530037 JALDVPLLLKZRIJ-FDDCHVKYSA-N 398.503 3.566 0 40 GHAB CNc1cc([C@H]2CCCN(Cc3ccc(OC)cc3)C2)nc(-c2cccnc2)n1 19592204 ZYCFQFQOYUALMS-IBGZPJMESA-N 389.503 3.969 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(-n2cnnc2)cc1 19655932 IHKIOXUHXLDHJI-UHFFFAOYSA-N 389.440 3.578 0 40 GHAB O=C(NCc1ccc(OC(F)F)cn1)N1CCCn2c(cc3ccccc32)C1 519660352 DHMDJYWAYZHSGZ-UHFFFAOYSA-N 386.402 3.753 0 40 GHAB Cc1ccc(-n2[nH]c(C(=O)N(C)[C@H](CCc3ccccc3)C(F)F)cc2=O)cc1 629754638 YQPYSMJXITYTCI-LJQANCHMSA-N 399.441 3.813 0 40 GHAB O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CCC(=O)N1Cc1ccccc1Cl 1888921690 FQFYMKTZYGDRDQ-KRWDZBQOSA-N 395.261 3.940 0 40 GHAB O=C(Cc1ccc(F)cc1)NCCc1csc2nc(-c3ccc(F)cc3)nn12 4374771 IBXXPJDFORXJNT-UHFFFAOYSA-N 398.438 3.637 0 40 GHAB O=C(CCc1csc(NC(=O)c2cccs2)n1)NCc1cccs1 11834948 IJBCDTNITUTVGV-UHFFFAOYSA-N 377.516 3.767 0 40 GHAB COc1ccc([C@H](CNC(=O)c2ccc3ccccc3c2)N2CCOCC2)cc1 21917921 RKDKFUAYFNZHKO-QHCPKHFHSA-N 390.483 3.652 0 40 GHAB Cc1cc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)CC2)cc(=O)o1 206972725 KYNXNCCHPBPTNU-UHFFFAOYSA-N 396.418 3.766 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2csc(-c3cc4ccccc4[nH]3)n2)CC1 36708156 NMCCKFLJKAEOIC-UHFFFAOYSA-N 398.488 3.642 0 40 GHAB COc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)cc1OC 49004542 RHWKENQUTBCKRZ-UHFFFAOYSA-N 392.459 3.935 0 40 GHAB COc1cccc(-n2ccc(=O)c(-c3nc(-c4ccc(Cl)c(F)c4)no3)n2)c1 49006376 GBARWZRDRWUSCU-UHFFFAOYSA-N 398.781 3.751 0 40 GHAB O=C(CC(c1ccccc1)c1ccccc1)NC[C@H]1CCCN1c1ncccn1 618257680 ZUTSJSVXPAKTNX-OAQYLSRUSA-N 386.499 3.784 0 40 GHAB COc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)cc1OC 44421826 SRPNVLCSENHILD-ZDUSSCGKSA-N 399.834 3.928 0 40 GHAB Cc1ccccc1-c1nnc2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n12 5025884 SGQHJYPNALINMF-OQLLNIDSSA-N 388.279 3.981 0 40 GHAB CC(=O)N1C(=O)[C@]2(S[C@@H](C)C(=O)N2c2ccc(Cl)cc2)c2ccccc21 12416886 IABITACYUQTLID-JEOXALJRSA-N 386.860 3.554 0 40 GHAB c1ccc(CN2CCc3c(sc4ncn5nc(-c6ccncc6)nc5c34)C2)cc1 20057897 ARPSKMOPJCTIEZ-UHFFFAOYSA-N 398.495 3.959 0 40 GHAB O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC(c2nc3ccccc3o2)CC1 40144653 GHUVGBDJIKOMLR-HXUWFJFHSA-N 375.428 3.727 0 40 GHAB CO[C@H](CNC(=O)NC1CCN(Cc2ccccc2C)CC1)c1ccccc1 45577242 IEWYUZULYSIWBH-JOCHJYFZSA-N 381.520 3.646 0 40 GHAB CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccc(OC)cc1 2439306 DVGQOFKSDPLWJO-YOEHRIQHSA-N 388.537 3.761 0 40 GHAB CCCCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccc(F)cc3)nc21 36614274 GEIYNUSXQNGOIU-UHFFFAOYSA-N 387.436 3.847 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3N)n2C)cc1Cl 1364482 RAOKIRKPDKQTBO-UHFFFAOYSA-N 387.896 3.757 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 4161460 XIUWZLACNWATOY-AWEZNQCLSA-N 386.477 3.673 0 40 GHAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(I)cc1 4714036 KEINJDYQGDAITC-UVTDQMKNSA-N 375.165 3.636 0 40 GHAB CCOc1ccc(-c2nnc(N(CCOC)C(=O)c3ccccc3)s2)cc1 4982627 STWCBPRJLDBIES-UHFFFAOYSA-N 383.473 3.897 0 40 GHAB O=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCCc3ccccc32)cs1 6681390 TWTZMLITQZKDLN-UHFFFAOYSA-N 390.530 3.562 0 40 GHAB Cc1cc(=O)c(C(=O)Oc2ccc3c(c2)CCC3)nn1-c1ccccc1Cl 7974530 PGQVDUHUWAPJKA-UHFFFAOYSA-N 380.831 3.902 0 40 GHAB CC1CCN([C@H](CNS(=O)(=O)c2ccc(F)cc2)c2ccccc2)CC1 59932579 IWOYVGFUFXPKPE-HXUWFJFHSA-N 376.497 3.577 0 40 GHAB COC(=O)c1ccc(Oc2nccc(C(F)(F)F)n2)c(Br)c1 29522673 AEMZXNMTOSWAOZ-UHFFFAOYSA-N 377.116 3.837 0 40 GHAB CNc1nc(S[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)nc2ccccc12 32776151 YEEQPIQFHDCNBK-LBPRGKRZSA-N 398.488 3.808 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2OC)cc1 8277115 LNLULURPPLIVGB-UHFFFAOYSA-N 390.439 3.886 0 40 GHAB C[C@H]1CC(=O)c2c(OCC(=O)NCc3ccc(OC(F)F)cc3)ccc(F)c21 32883692 KTUHEJVFERVZLI-NSHDSACASA-N 393.361 3.812 0 40 GHAB CCCc1nnc(S)n1CC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 32914539 NAYFKHVYEHFHDN-INIZCTEOSA-N 394.544 3.856 0 40 GHAB O=C(Cc1ccc2ccccc2c1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 32983138 CQVUHLIWKKOMQH-QFIPXVFZSA-N 393.508 3.598 0 40 GHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(CN2C(=O)CSC2=O)c1 32905803 QYYIDFKMCVQCPN-UHFFFAOYSA-N 384.501 3.581 0 40 GHAB COc1ccc(Cn2nnnc2SCCCC(=O)c2ccc(F)cc2)cc1 21732137 LKFSIAPNUADZQS-UHFFFAOYSA-N 386.452 3.624 0 40 GHAB O=c1[nH]c(CSc2nnc(C3CC3)n2-c2ccccc2)nc2ccccc12 2645991 NPBBSHKSDGZPAO-UHFFFAOYSA-N 375.457 3.674 0 40 GHAB COCCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2ccccc21 2623367 GITORDXVCIBWGT-UHFFFAOYSA-N 377.416 3.692 0 40 GHAB COc1ccc([C@H](NC(=O)COc2ccccc2OC)c2ccccc2)cc1 21830623 ABQUEYURDGIJGI-HSZRJFAPSA-N 377.440 3.988 0 40 GHAB CN1CCN(Cc2cccc(C(=O)c3ccc(Br)c(F)c3)c2)CC1 22028035 NOHOKOKTOHBLAQ-UHFFFAOYSA-N 391.284 3.567 0 40 GHAB Cc1sc2nc(CN3CCOCC3)nc(N3CCc4ccccc4C3)c2c1C 33439097 QDZUAYJZMWHZRS-UHFFFAOYSA-N 394.544 3.703 0 40 GHAB CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 755240 RHGVCOLTBQMVDV-UHFFFAOYSA-N 386.498 3.591 0 40 GHAB CCN(CC)[C@@H](CNC(=O)CCc1ccc2c(c1)OCO2)c1cccc(OC)c1 22700968 DGWMBICBMOAWMM-FQEVSTJZSA-N 398.503 3.556 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1OC 104121329 FXMCUCYXLOMDPO-JKQORVJESA-N 399.491 3.627 0 40 GHAB NC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CCCC2 921321 VSESKVGJCILZCJ-UHFFFAOYSA-N 380.469 3.897 0 40 GHAB COc1cccc2[nH]c(C(=O)NCCC(=O)Nc3nc4ccccc4s3)cc12 12408759 CYRXFFZMSVVYON-UHFFFAOYSA-N 394.456 3.545 0 40 GHAB CCc1noc(C)c1C(=O)OCc1csc(CC(=O)Nc2ccc(C)cc2)n1 23266496 HZPRZJKQPGCHDU-UHFFFAOYSA-N 399.472 3.849 0 40 GHAB CC(=O)Nc1ccc(N[C@H](NC(=O)c2cccs2)C(=O)c2ccccc2)cc1 1013798 IIKLCNKSFPPRRC-HXUWFJFHSA-N 393.468 3.757 0 40 GHAB O=C1[C@H]2C(c3ccc(Cl)cc3Cl)=NO[C@H]2C(=O)N1c1ccc(Cl)cc1 103514965 KKIHAPRDPGVXAB-DZGCQCFKSA-N 395.629 3.939 0 40 GHAB CSc1cccc(NC(=O)C[C@@H]2Sc3cc(C(=O)O)ccc3NC2=O)c1 61719674 IBSURKHILFPMJU-HNNXBMFYSA-N 388.470 3.548 0 40 GHAB C[C@H](OC(=O)/C=C/c1ccc(Br)o1)C(=O)N[C@H]1CCCC[C@@H]1C 107444004 FPNMRCDCKBEDQR-AGDCAZDESA-N 384.270 3.682 0 40 GHAB O=C(CN[C@@H](c1ccccc1)c1cccs1)N1CCN(c2ccccc2)CC1 57383156 IGQHNABZTFBXGO-QHCPKHFHSA-N 391.540 3.776 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(Cl)c2c(c1)OCO2 24652049 DCBTZPKDNCCOLK-UHFFFAOYSA-N 388.851 3.868 0 40 GHAB O=C(CCCc1nc(-c2cccs2)no1)Nc1cccnc1N1CCCC1 44542438 BWPOIZQASVBVPY-UHFFFAOYSA-N 383.477 3.755 0 40 GHAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)NCCc1ccccc1 8643032 SFZYNYXAONLBBW-UHFFFAOYSA-N 385.467 3.974 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)N(C)Cc3ccc(OC(F)F)cc3)CC2=O)cc1 27597446 HGGBENIZZZNEQQ-MRXNPFEDSA-N 388.414 3.608 0 40 GHAB Cc1cc(=O)oc2cc(OC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)ccc12 2115967 GMONMCBNCUTXCN-MRXNPFEDSA-N 389.448 3.946 0 40 GHAB biogenic Cc1cccn2cc(COC(=O)c3ccccc3NC(=O)c3ccco3)nc12 10392908 XBIHEDGINQTHTQ-UHFFFAOYSA-N 375.384 3.845 0 40 GHAB NC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 58310505 DAAMCWJUCSDACK-CQSZACIVSA-N 395.381 3.628 0 40 GHAB CN1CCC(N(C)C[C@H](NC(=O)c2ccc3c(c2)CCC3)c2ccccc2)CC1 58440018 ITTRPGTWKLSZPM-DEOSSOPVSA-N 391.559 3.672 0 40 GHAB CC(C)[C@H](NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1 45151147 PNTKAHAQZQSVTL-CJNGLKHVSA-N 375.410 3.706 0 40 GHAB O=C(CCc1nc2ccccc2s1)NCc1cccc(NC(=O)C2CC2)c1 10764066 GUUFOUKTNVTPML-UHFFFAOYSA-N 379.485 3.894 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2N)cc1 2395648 AHRHVIIFZCPGOF-UHFFFAOYSA-N 381.505 3.623 0 40 GHAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1cc(F)cc(F)c1 12890852 LGRMRMSHRSOZGI-UHFFFAOYSA-N 386.320 3.529 0 40 GHAB COc1cc(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)ccc1C 12822425 ATKDAYZKMCZYLW-UHFFFAOYSA-N 398.772 3.649 0 40 GHAB COc1ccc(Br)c(C(=O)O[C@H](C)C(=O)Nc2ccccc2F)c1 3411774 WTAHOXALJFSCEJ-SNVBAGLBSA-N 396.212 3.781 0 40 GHAB Cc1cc(N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n2ncnc2n1 12909458 CRPYSHHEHYWSEG-INIZCTEOSA-N 386.459 3.882 0 40 GHAB COc1ccc(NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1Cl 12921223 ILCVILLKPZOHJK-UHFFFAOYSA-N 392.246 3.633 0 40 GHAB C[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(Cl)c(Cl)c1 12992917 GJMFABCYFAHBRE-LBPRGKRZSA-N 380.275 3.716 0 40 GHAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2)c(C)n1CC(F)(F)F 16406168 NPLHRUVMSBRCHG-LBPRGKRZSA-N 386.345 3.990 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 18048410 OKXGCJONJIPNDB-HNNXBMFYSA-N 377.444 3.503 0 40 GHAB CCCc1cc(=O)oc2c(C(=O)CC(C)C)c3c(c(O)c12)C[C@H](O)C(C)(C)O3 13459471 IWXVZIMHJKPWIP-HNNXBMFYSA-N 388.460 3.754 0 40 GHAB endogenous,in-man O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1cc(Cl)sc1Cl 8776156 XFBDTVQRJRFIFT-UHFFFAOYSA-N 375.277 3.882 0 40 GHAB O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 4343802 XADZARUSPKCJEZ-UHFFFAOYSA-N 398.450 3.648 0 40 GHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccccc2Cl)C1=O 4308435 UXSRZPMXWYPXNT-LJQANCHMSA-N 376.815 3.715 0 40 GHAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1cccc(OCC(F)(F)F)c1 65488518 NMGURPJBXHCFFP-SUMWQHHRSA-N 378.394 3.995 0 40 GHAB COc1cc(CN(C)c2cc(C)nc3ncnn23)ccc1OCc1ccccc1 14198751 IFRBTERRSQWLHO-UHFFFAOYSA-N 389.459 3.657 0 40 GHAB Cc1ccc(Cl)c(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 14120917 SQLAHCOSFNXEDP-UHFFFAOYSA-N 378.881 3.705 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1 8356908 DSJNREIMHAIWMK-CYBMUJFWSA-N 399.422 3.703 0 40 GHAB O=C(/C=C/c1ccc(F)cc1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 6528990 XGXOLIGBZGMHDD-DWRJGLHPSA-N 396.443 3.692 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)c1ccccc1 5557638 UWNRLDCDDQQJBE-QGZVFWFLSA-N 386.517 3.661 0 40 GHAB COc1ccccc1-c1cc(C(=O)NCCN(C)C)c2cc(Cl)ccc2n1 17078399 VJNVRWZVXFLWJH-UHFFFAOYSA-N 383.879 3.855 0 40 GHAB O=C(Nc1ccccc1OC(F)F)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 17143491 LLTYJMQWTYOKTB-LWYUSKRHSA-N 388.418 3.814 0 40 GHAB COc1cccc(CCC(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1 66856616 CXZOAJFNGYEZER-UHFFFAOYSA-N 376.460 3.861 0 40 GHAB COc1ccc(-n2cnnc2S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 8706877 HOFGFOFIHHPMOJ-SFHVURJKSA-N 398.463 3.527 0 40 GHAB Cc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1F 15615809 KHDHCJFBHYGHPX-UHFFFAOYSA-N 385.464 3.882 0 40 GHAB COC(=O)c1ccc(NC(=O)c2cn(CC(C)C)c(=O)c3ccccc23)cc1 70666531 GYLRWDMTMNJJRK-UHFFFAOYSA-N 378.428 3.696 0 40 GHAB biogenic O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 8990432 CCNXNZVZTVIZSW-SFHVURJKSA-N 375.472 3.978 0 40 GHAB CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3ccccc3)s2)CC1=O 9199224 DZQKGXBFQLMJKL-INIZCTEOSA-N 392.484 3.873 0 40 GHAB O=C(CSc1ncnc2nc[nH]c12)c1ccc([C@@H]2CC2(Cl)Cl)cc1 9146232 KJHJENFOBFRUJW-NSHDSACASA-N 379.272 3.989 0 40 GHAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)cc2C)c1C 71327209 UZGFSSYNLQVMML-UHFFFAOYSA-N 391.475 3.657 0 40 GHAB Cc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1Cl)S2 9236457 GTDDFSNPUCWCCX-HZPDHXFCSA-N 385.880 3.638 0 40 GHAB O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1cccc(F)c1 72280567 VOQXPRWHWWQNNZ-UHFFFAOYSA-N 387.724 3.862 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc2c(c1)OCCCO2)CC3 72324643 WFBDTBOSSMRWDU-UHFFFAOYSA-N 378.428 3.536 0 40 GHAB biogenic COc1ccccc1-c1nn(C)cc1C(=O)NCCOc1ccc(Cl)cc1 78869154 CRUVOOFKRZYDBF-UHFFFAOYSA-N 385.851 3.558 0 40 GHAB O=C(O)c1cc(NS(=O)(=O)c2cc(F)ccc2Cl)cc(C(F)(F)F)c1 97548734 YEUAVEIXYPDWEU-UHFFFAOYSA-N 397.733 3.997 0 40 GHAB CN(C)S(=O)(=O)c1cc(CN[C@H](c2ccccc2)C2CCCCC2)co1 89319548 SFEWDYDCPJIIJN-HXUWFJFHSA-N 376.522 3.941 0 40 GHAB COc1ccc(Br)c(C(=O)NCCCN(C)Cc2ccccc2)c1 9981470 UWCOTDVZRRMBQZ-UHFFFAOYSA-N 391.309 3.710 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 26119069 XKWJRAGWEYYZRV-HNNXBMFYSA-N 398.594 3.748 0 40 GHAB O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)NCCc1ccc(O)cc1 1548348748 PNYYBQQYETZUHL-UHFFFAOYSA-N 392.499 3.800 0 40 GHAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1-c1noc(C(C)(C)C)n1 33013377 QVYILIBUGBNCCE-ZDUSSCGKSA-N 393.509 3.606 0 40 GHAB COc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccs4)C2)OC3)cc1 306144650 ZKZCBJXPOYXTED-NRFANRHFSA-N 381.501 3.795 0 40 GHAB CC[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 219725484 AZKSHCNPBAITTB-HXUWFJFHSA-N 388.533 3.663 0 40 GHAB Cc1ccc(C)c(N2C(SCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32640581 HDBDLERKGLNQEI-PKOBYXMFSA-N 386.542 3.578 0 40 GHAB CC(C)Cn1ccc2c(NC(=O)C[C@@H](c3ccsc3)n3cnnn3)cccc21 524735407 AWIAOLULTBOBHP-IBGZPJMESA-N 394.504 3.964 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 30755002 HIFLNTLOYJMWSB-UHFFFAOYSA-N 380.444 3.546 0 40 GHAB COc1ccc(-c2noc(COC(=O)c3cccc4c3O[C@H](C)[C@H]4C)n2)cc1 32836019 XPWHSXMKMYXHGT-CHWSQXEVSA-N 380.400 3.987 0 40 GHAB O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1ccc(O)c(O)c1 35644383 QAMFKETZBRLKFO-RIYZIHGNSA-N 391.246 3.752 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 35289590 ZYTVIWAXWICFGC-OAHLLOKOSA-N 387.823 3.704 0 40 GHAB COc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccoc2C)cs1 39978727 YZOHKDGTQMUXPS-UHFFFAOYSA-N 386.429 3.591 0 40 GHAB O=S(=O)(c1ccc(Br)cc1)n1c(C2CC2)nc2ccccc21 35316033 HOXPLAHIDKSOED-UHFFFAOYSA-N 377.263 3.913 0 40 GHAB O=C(C[C@H]1CCCC(=O)N1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 558021905 GURYVHQCTUPJDB-CYBMUJFWSA-N 397.422 3.750 0 40 GHAB COCCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccc(OC)cc1 1565520427 RGLAPJIXASBEOH-WIYYLYMNSA-N 389.540 3.830 0 40 GHAB biogenic O=C(COc1ccc(Cl)cc1)Nc1nn2c(-c3ccccc3)nnc2s1 41076419 BIPRONMYZJMWBJ-UHFFFAOYSA-N 385.836 3.524 0 40 GHAB CC1(C)Oc2ccc(NC(=O)CCC(=O)c3ccc4c(c3)OCCO4)cc2O1 40115299 VIRDBQFGEKHCMZ-UHFFFAOYSA-N 383.400 3.567 0 40 GHAB COc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224483535 ZEPSTCQUJRTYBX-IBGZPJMESA-N 396.531 3.736 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1C(C)C 224096879 VAGWMRAZXYOJIE-UHFFFAOYSA-N 377.506 3.793 0 40 GHAB COc1ccc(S(=O)(=O)N(C)Cc2c(OC)cccc2OC)cc1C(C)C 223741521 SUGMLMIMNHGYQO-UHFFFAOYSA-N 393.505 3.657 0 40 GHAB CC[C@@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccccc1C 225757634 HHQARLFKFSXUEG-GOSISDBHSA-N 391.562 3.829 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)COCc3cc(-c4cccs4)on3)ccc12 49973850 ZFXGUGGIYTVKHD-UHFFFAOYSA-N 396.424 3.973 0 40 GHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C(C)C 223263868 QGIFHVCJTHMERA-PMACEKPBSA-N 385.581 3.615 0 40 GHAB O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1CC[C@H](c2nc[nH]n2)C1 572276848 NNRROQVVFZFGQH-VIFPVBQESA-N 394.287 3.865 0 40 GHAB CC(C)Sc1ccccc1C(=O)NCc1ccc(CN2CCOCC2)cc1 41823431 OTNPXLIKTJNDIS-UHFFFAOYSA-N 384.545 3.949 0 40 GHAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 222875518 MCVPENVIGLIJAP-GOSISDBHSA-N 384.545 3.683 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)NCCCc1nnc2ccccn12 95474483 IEYIEVCVRSUDLU-UHFFFAOYSA-N 377.473 3.524 0 40 GHAB CN(C)c1nc(-c2cccc(F)c2)nc2c1CN(C(=O)Cc1ccsc1)CC2 96254090 XDHCLGRODMNYJK-UHFFFAOYSA-N 396.491 3.538 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC[C@@]2(CC=CCN(C)C2=O)C1 257311501 UJTQDOZBSYTMEK-QHCPKHFHSA-N 396.510 3.629 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(C)cc2)CC1 257269999 MSIXZVFESOBVDK-PQNGQFLHSA-N 393.531 3.733 0 40 GHAB CC[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(C)cc1C 260808250 HQKMPWKQEPCGHG-PMACEKPBSA-N 388.533 3.503 0 40 GHAB Cc1ccc(NC(=S)NCCCN2CCC[C@H](C)C2)cc1N1CCCC1=O 260739762 OUFPFISNSGHKRJ-INIZCTEOSA-N 388.581 3.530 0 40 GHAB O=C(Nc1nc2c(s1)CN(C(=O)/C=C/c1cccs1)CC2)c1ccoc1 90582609 YQDREOZRTLSKGV-ONEGZZNKSA-N 385.470 3.648 0 40 GHAB Cc1nc2cc(C(=O)N3CCC[C@H]([C@@H]4CCCN4)C3)ccc2n1-c1ccccc1 645112524 MFEHFOPMJQNJDG-FPOVZHCZSA-N 388.515 3.938 0 40 GHAB Cc1ccnn1-c1ccccc1NC(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 654037862 ZNQWMKIMUPXWSJ-XJKSGUPXSA-N 382.386 3.802 0 40 GHAB CC(C)c1ncc(S(=O)(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)[nH]1 673818832 PETNYDUKTSUOQS-IBGZPJMESA-N 381.501 3.870 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)Oc1ccccc1Br 784881987 WVFXAFJTPOSUBD-UHFFFAOYSA-N 377.643 3.879 0 40 GHAB Cc1cc(CNC(=O)c2csc(-c3ncccn3)n2)c2[nH]c(C)c(C)c2c1 65490203 UJMSEWDGZVBOIR-UHFFFAOYSA-N 377.473 3.937 0 40 GHAB CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)Cc1ccsc1)c1ccccc1O2 72327861 PJSWSQNYJOBTAS-GCJKJVERSA-N 398.528 3.702 0 40 GHAB CN(C)CCN(C)CCCNc1ncnc2scc(-c3cccs3)c12 1642757951 KXNMQEUPZZKUOT-UHFFFAOYSA-N 375.567 3.715 0 40 GHAB C[C@H](OC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1)c1ccccc1 39983201 OMPFCXGYISMVCF-HOCLYGCPSA-N 376.499 3.884 0 40 GHAB C[C@@H]1CN(c2ccnc(C(=O)Nc3cccc(-n4cccc4)c3)c2)C[C@@H](C)O1 1629575919 JOCMGXPZTXVAEU-IAGOWNOFSA-N 376.460 3.738 0 40 GHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccccc3)c2)cc1 5557844 GJPGFAAORWDVAU-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB CCn1c(N2CCC(C(=O)NCCc3cccc(F)c3)CC2)nc2ccccc21 12116410 KZVXEFIWEUQJIF-UHFFFAOYSA-N 394.494 3.771 0 40 GHAB CCn1c(C)cc2cc(NC(=O)c3sc(N4CCOCC4)nc3C)ccc21 12148380 NCINNMVFOBCZLN-UHFFFAOYSA-N 384.505 3.823 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2C)cc1Cl 14154155 RBZOXROGVPSVBG-UHFFFAOYSA-N 385.938 3.869 0 40 GHAB COc1cccc(Cn2cc(NS(=O)(=O)c3ccc4ccccc4c3)cn2)c1 14234862 WLIKVTWDTFZQIG-UHFFFAOYSA-N 393.468 3.894 0 40 GHAB Cc1ccc(CCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1Cl 14372474 RYQJCKZRSKTYLA-UHFFFAOYSA-N 375.881 3.538 0 40 GHAB O=C(Oc1cc(F)c(F)c(F)c1)c1ccc(I)cc1 16158218 LGGHSNKLIOHNME-UHFFFAOYSA-N 378.087 3.928 0 40 GHAB Cc1cnc(C(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2onc(C)c2C)cn1 19238908 WSAOZYKDCGHPGA-GOSISDBHSA-N 392.463 3.523 0 40 GHAB CCn1cncc1CN1CCC(c2cc3nc(C)cc(C(F)(F)F)n3n2)CC1 19578609 JBKYWQSEABBUJM-UHFFFAOYSA-N 392.429 3.653 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)no2)cc1 19665778 KNAQMQCVPBQOEX-UHFFFAOYSA-N 395.503 3.905 0 40 GHAB COc1cccc(-c2nc3c(s2)CN(CC(=O)Nc2ccc(F)cc2)CC3)c1 19719737 IGYLNCCLCSAACV-UHFFFAOYSA-N 397.475 3.955 0 40 GHAB CC(C)C(=O)N1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19761622 XJNINDCGBKFJDH-CQSZACIVSA-N 394.500 3.916 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4ccccc4OC)[C@H]23)cc1 19019372 DISNQOIXNGTXDT-CQOQZXRMSA-N 394.515 3.683 0 40 GHAB CCOc1cc2c(cc1CNCc1ccccc1CN1CCOCC1)O[C@@H](C)C2 23762478 OGHAIGPOJXQVHC-SFHVURJKSA-N 396.531 3.531 0 40 GHAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)Nc5ccccc5Cl)C[C@H]4C3)n1)CCC2 1888904004 MVPAPRMMPDZUQZ-GASCZTMLSA-N 397.910 3.527 0 40 GHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCN(C(=O)C2CC2)CC1 24007108 CJKQUKMERPDOGT-UHFFFAOYSA-N 394.500 3.650 0 40 GHAB COc1ccc2cc(C(=O)N3CC[C@@H](c4noc(-c5ccccc5)n4)C3)[nH]c2c1 238958110 YEGQUUZDCTZDCZ-MRXNPFEDSA-N 388.427 3.856 0 40 GHAB Cc1noc(C)c1CN1C(=O)C[C@H]2[C@@H]1CCN2Cc1cccc(C(F)(F)F)c1 1565551697 VASLILNYOYGWPF-ROUUACIJSA-N 393.409 3.686 0 40 GHAB CCOc1ccc(Cn2c(-c3nonc3N)nc3ccccc32)cc1OCC 719281 SDIZCGINDNHBLW-UHFFFAOYSA-N 379.420 3.514 0 40 GHAB COc1cccc(C(=O)N(CN2CCCC2=O)c2cccc(Cl)c2)c1OC 4034441 ZVIHRTOCIFWSMO-UHFFFAOYSA-N 388.851 3.584 0 40 GHAB Cc1cccc(-n2c(S)nnc2CNC(=O)c2c(F)cccc2Cl)c1 4059236 SPOZKTLQZVPKMW-UHFFFAOYSA-N 376.844 3.587 0 40 GHAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3OC)s2)cc1 4070432 XSBCTPIOQSGAOJ-UHFFFAOYSA-N 385.445 3.873 0 40 GHAB O=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)C(c1ccccc1)c1ccccc1 4497345 BCVYWAYZAFEYKH-HXUWFJFHSA-N 388.442 3.879 0 40 GHAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 4854488 QGSUWUOMOLUOBJ-NRFANRHFSA-N 391.427 3.863 0 40 GHAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)NCc2ccccc2)cc1OC 4854513 ZPSZCXPHCNYKEZ-JOCHJYFZSA-N 391.471 3.820 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 5304855 UVCMSERAWWOWCF-HZPDHXFCSA-N 393.462 3.987 0 40 GHAB CCn1cc(C(=O)NCCC2=CCCCC2)c2nn(-c3ccccc3)c(=O)c-2c1 9661409 HDEXXKQEMBWWHI-UHFFFAOYSA-N 390.487 3.779 0 40 GHAB COc1ccc(-c2cc(CNC(=O)Cc3ccc(Cl)cc3)no2)cc1OC 12638894 QXOYKZCBSIRCIU-UHFFFAOYSA-N 386.835 3.871 0 40 GHAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)C2CCCC2)c2cccs2)cc1 15780800 SBVSUZACVPMZKB-GOSISDBHSA-N 393.530 3.578 0 40 GHAB O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)NC[C@@H]1CCCO1 16848879 GQZVINJATWFISL-INIZCTEOSA-N 389.908 3.944 0 40 GHAB O=C(NCCOc1ccc2c(c1)OCO2)C1c2ccccc2Oc2ccccc21 22480703 DBXAYAQPOJWZCD-UHFFFAOYSA-N 389.407 3.848 0 40 GHAB O=C(c1cc2ccccn2c1)N1CCC(COc2cc(C3CCC3)ncn2)CC1 1775970211 HHZGCMBLRSSMJZ-UHFFFAOYSA-N 390.487 3.928 0 40 GHAB Cn1cc(-c2ccc(CNC(=O)CCc3ccc(C(F)(F)F)cc3)cn2)cn1 575616723 OGRDMPTUVGEAHR-UHFFFAOYSA-N 388.393 3.750 0 40 GHAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)n1 585147248 GWDUANXPYWRFJS-INIZCTEOSA-N 379.382 3.796 0 40 GHAB O=C(NCCOc1ccccc1)NCc1ccc([C@H](O)c2ccccc2)s1 207973431 LJTFKAPVDLHVGS-HXUWFJFHSA-N 382.485 3.708 0 40 GHAB COC(=O)c1ccc(COc2cccc3c2CCN(Cc2ccccc2)C3=O)o1 2716314 IOWMBBOMZUTBSK-UHFFFAOYSA-N 391.423 3.844 0 40 GHAB Cc1cccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)c1 77184291 RMRXCRVMZZMDEK-XMMPIXPASA-N 388.467 3.624 0 40 GHAB O=S(=O)(Cc1noc2ccccc12)Nc1ccc(Br)cc1F 96124215 HSMGBECYXHMSKB-UHFFFAOYSA-N 385.214 3.671 0 40 GHAB Cc1nc2ccc(C(=O)N3CCC[C@H]3c3nnc4n3CCCCC4)cc2nc1C 40080290 JXLPBHVCALKEND-IBGZPJMESA-N 390.491 3.542 0 40 GHAB CCc1cc2c(=O)n(NC(=O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)cnc2s1 29069566 ZJUGTCAOZVISKZ-YSVLISHTSA-N 391.537 3.568 0 40 GHAB COc1cc([C@H]2C=C(c3ccc(C)cc3)Nc3ncnn32)cc(OC)c1OC 100834885 JTVYIZHEIZQWDP-QGZVFWFLSA-N 378.432 3.668 0 40 GHAB COC(=O)c1ccc(OCc2noc(-c3ccsc3)n2)c(Br)c1 31810521 CQYXKHMPGGOSDQ-UHFFFAOYSA-N 395.234 3.926 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1OC 1936134 DGBUKMSYBSXCAZ-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB COc1cc(OC)c(C(=O)OCC(=O)Nc2cccc3ccccc23)cc1OC 3446202 JGOUZDVWXAIABE-UHFFFAOYSA-N 395.411 3.661 0 40 GHAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1C 3482044 HPFQADVOYQLRBN-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1 4852014 VGECIJMNBQVIAG-GFCCVEGCSA-N 388.468 3.982 0 40 GHAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1CCc1ccccc1 6228314 VRAAYJVUVCTCLQ-UHFFFAOYSA-N 390.464 3.898 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc2c(c1)OCCO2 6495587 BVNYYTQSXLOUAY-UHFFFAOYSA-N 396.424 3.605 0 40 GHAB COc1ccccc1NC(=O)[C@H](C)OC(=O)/C=C/c1ccc2ccccc2n1 6558427 XWPNYCZMZJYUJQ-BUYIWHAFSA-N 376.412 3.827 0 40 GHAB CC(C)CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 7986174 DOOROERFMWQBMW-UHFFFAOYSA-N 380.897 3.917 0 40 GHAB CC(C)C(=O)Nc1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 8539671 CHWGPPSTSPGPPD-UHFFFAOYSA-N 383.835 3.527 0 40 GHAB C[C@@H](NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 106372275 GVCUWJSJZOUHHD-XLIONFOSSA-N 398.503 3.974 0 40 GHAB Cc1noc(C)c1CN1C(=O)[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc21 12122761 XAPZQRAENAUGTQ-OAHLLOKOSA-N 391.427 3.858 0 40 GHAB COc1ccc([C@@H](NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)C(C)C)cc1 22058104 HUBUNCWGNGKNQD-IBGZPJMESA-N 399.516 3.597 0 40 GHAB O=C(Cc1ccc(Cl)cc1Cl)NC[C@@H](c1cccs1)N1CCOCC1 22465725 AENCGEPXHVFYEF-INIZCTEOSA-N 399.343 3.787 0 40 GHAB COc1c(C)cccc1C(=O)Nc1cccc(-c2nn3c(C)nnc3s2)c1 20609586 GGWHZFAYTJRRLU-UHFFFAOYSA-N 379.445 3.731 0 40 GHAB CCN1CCC[C@@H]1CN[C@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 22780387 NZUXQGPYVILEFM-YADHBBJMSA-N 379.504 3.643 0 40 GHAB Cc1ccc(C)c(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1 827486 WCTWXZJICRDVHN-UHFFFAOYSA-N 382.485 3.861 0 40 GHAB Cc1nc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)cs1 12561442 QENGFSXYINLSJG-LJQANCHMSA-N 379.441 3.994 0 40 GHAB CCc1cc(C(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)sc1C 23737587 MXLAOHBBFIWAPL-UHFFFAOYSA-N 376.497 3.725 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)N(C)Cc3ccccc3N3CCCC3)cc2NC1=O 24190761 HJNODKKXYBLRTE-HNNXBMFYSA-N 395.528 3.992 0 40 GHAB Cc1cccc(OCCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c1C 24773584 AZPSUNMUAZZENW-UHFFFAOYSA-N 377.488 3.976 0 40 GHAB O=C(COc1ccc(Cl)c2cccnc12)NCc1ccc(N2CCCC2)nc1 43285818 ZSUAJPPLBIOMIY-UHFFFAOYSA-N 396.878 3.579 0 40 GHAB CCS(=O)(=O)c1ccc2oc(SCC(=O)c3ccc(F)cc3)nc2c1 3231842 WXVFTCOYCTVZEA-UHFFFAOYSA-N 379.434 3.736 0 40 GHAB Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1cccs1 55651298 KFNGHMQEQOODCU-UHFFFAOYSA-N 378.519 3.729 0 40 GHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 107348511 LWJGAWYYACFCMU-RPWFAHAXSA-N 375.534 3.957 0 40 GHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 113971349 FOAQPBNUNFUUCP-FQEVSTJZSA-N 396.487 3.572 0 40 GHAB CC1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 409408503 DBVKTFVYLWWYNF-OAQYLSRUSA-N 384.501 3.926 0 40 GHAB CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C 2149025 MVYMDIBQJYVXAZ-AWEZNQCLSA-N 375.421 3.619 0 40 GHAB biogenic O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2CN(Cc3ccncc3)C[C@H]21 306133153 MDPNJICQZZZHTG-UYAOXDASSA-N 382.510 3.565 0 40 GHAB Clc1ccc(CN2CCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1 27720750 MJQWECHNOABJSL-UHFFFAOYSA-N 382.895 3.632 0 40 GHAB CC(=O)Nc1cccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 3343038 YZTCIAKBGXRGGF-UHFFFAOYSA-N 394.427 3.744 0 40 GHAB O=C(NCCCN1c2ccccc2Sc2ccccc21)c1cc[n+]([O-])cc1 58342561 OUHGKAYDSITZIF-UHFFFAOYSA-N 377.469 3.743 0 40 GHAB Cc1c(NC(=O)CNc2cccc3ccccc23)c(=O)n(-c2ccccc2)n1C 3372046 NMYRHAPXHULVHW-UHFFFAOYSA-N 386.455 3.688 0 40 GHAB CN(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 16599648 SVXLJBSKDXLRCY-IBGZPJMESA-N 377.444 3.565 0 40 GHAB COc1cc(-c2nnc3sc(-c4cccc(C)c4)nn23)cc(OC)c1OC 2394169 CBJCQHMFHBJQRK-UHFFFAOYSA-N 382.445 3.854 0 40 GHAB CSCC[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1nc2ccccc2[nH]1 16645930 CPECDZBRKITNRB-IBGZPJMESA-N 391.500 3.973 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8156171 KAPPPSSLBYUYMP-PYJQOMOHSA-N 393.439 3.606 0 40 GHAB O=C(NCC1CCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 3612727 NKIJTMCNPWSINO-UHFFFAOYSA-N 398.956 3.825 0 40 GHAB CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1c(C)cc(C)cc1C 13042244 DLEBWMWOEIIBPU-UHFFFAOYSA-N 383.492 3.520 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 8217795 FKIWPXUQBZFEPG-INIZCTEOSA-N 382.460 3.566 0 40 GHAB CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NC(C)(C)C 8315194 WUBBHFGQFZNZBO-UHFFFAOYSA-N 397.541 3.568 0 40 GHAB C[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)N[C@H]1CCCc2ccccc21 13629843 LHHSMZZWVNOXPL-WQTXXOFMSA-N 391.515 3.946 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc(O)cc2O)c(C)n1Cc1cccs1 6080905 CVPIRNPALCNQRF-UHFFFAOYSA-N 385.441 3.666 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 5111644 DIEGCRVHUANPMO-BLRBJFNZSA-N 389.904 3.569 0 40 GHAB C[C@H](NC(=O)CSc1nnc(NC2CC2)s1)c1ccc2c(c1)CCCC2 17153354 MAVRTHHQPPMQOK-LBPRGKRZSA-N 388.562 3.961 0 40 GHAB CCc1nnc2sc(-c3ccc(CNC(=O)c4ccc(C)cc4)cc3)nn12 13954812 IWWJONXVZSEBJH-UHFFFAOYSA-N 377.473 3.654 0 40 GHAB O=C(/C=C/c1cccc(Oc2ccccc2)c1)N1CCN(C(=O)C2CC2)CC1 14139698 DAHVFAFGXVGXAA-FMIVXFBMSA-N 376.456 3.573 0 40 GHAB C[C@H](N[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1Cl 14157547 XPXSNQFBFHDLNA-ZWKOTPCHSA-N 385.939 3.724 0 40 GHAB CC(C)[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCCCO2 5453071 HFNBCIGPGYEQEP-NHCUHLMSSA-N 383.444 3.501 0 40 GHAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1ccn(Cc2ccccc2F)n1 28231479 HGJGJDQITHMZGB-GFCCVEGCSA-N 395.360 3.794 0 40 GHAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 5699437 UNLSBJSUCXSGEG-UHFFFAOYSA-N 393.531 3.965 0 40 GHAB CC[C@H](C)NC(=O)CSc1nnc(N2CCCC2)n1-c1ccccc1Cl 6994298 ZRJHRLROAVCWEX-ZDUSSCGKSA-N 393.944 3.528 0 40 GHAB Oc1ccc(-n2nnnc2SCc2ccc(Br)cc2F)cc1 7036040 VLZIVQXXZMMYQP-UHFFFAOYSA-N 381.230 3.562 0 40 GHAB CN(CC(=O)Nc1cccc2c1CCCC2)S(=O)(=O)c1ccc(Cl)s1 15302562 YFLFNBDUGNDFDJ-UHFFFAOYSA-N 398.937 3.540 0 40 GHAB COCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccc(F)cc1 15831409 XHTRNXIAJHQJMJ-LJQANCHMSA-N 381.403 3.741 0 40 GHAB C[C@@H](Nc1ccc(N2CCCCCC2)cc1)C(=O)N1CC(=O)Nc2ccccc21 9604416 CIOQDGGGBUTCBB-QGZVFWFLSA-N 392.503 3.853 0 40 GHAB C[C@@H]1Oc2ccc(-c3csc(NC(=O)c4ccccc4F)n3)cc2N(C)C1=O 19796683 UJWNZTHTTIDNEP-NSHDSACASA-N 397.431 3.945 0 40 GHAB CCOC(=O)N1CCN([C@@H](c2cccnc2)c2c(C)[nH]c3ccccc23)CC1 19878991 ATNTWFJFUQKWTG-NRFANRHFSA-N 378.476 3.735 0 40 GHAB COC(=O)c1sc(NC(=O)C[C@@H]2OCCc3ccccc32)nc1C(C)(C)C 78971807 CJBBNFYJEKXGDG-AWEZNQCLSA-N 388.489 3.870 0 40 GHAB COc1ccc(CNC(=O)N[C@H](C)c2nc3c(s2)CCCC3)cc1OC 72289193 RCZKSJHKBHMSHI-GFCCVEGCSA-N 375.494 3.600 0 40 GHAB COc1cc(OC)c(NC(=O)c2ccc3c(N(C)C)ncnc3c2)cc1Cl 72304036 PKLNTIGTRKQGFL-UHFFFAOYSA-N 386.839 3.619 0 40 GHAB O=C(N[C@H]1CCSc2c(F)cccc21)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 84445604 KTIRRUIGGQCONN-MPGHIAIKSA-N 394.512 3.732 0 40 GHAB O=C(CCNC(=O)OCC(F)(F)F)OC1c2ccccc2-c2ccccc21 84576872 NDLNMVJDOPZSQM-UHFFFAOYSA-N 379.334 3.978 0 40 GHAB CC(C)c1cccc(NC(=O)CNc2ccc(CS(C)(=O)=O)c(F)c2)c1 84625259 FIBSLBYBRTYTJS-UHFFFAOYSA-N 378.469 3.544 0 40 GHAB CC1(C)CCc2ccccc2[C@@H]1NC(=O)CCc1nc2ccccc2c(=O)[nH]1 84673600 QOACQWQAKAHDMD-NRFANRHFSA-N 375.472 3.686 0 40 GHAB Cc1ccc2nc(CNC(=O)Nc3cc4c(cc3Cl)OCCCO4)cn2c1 95365013 VDJNJSYYXUKDBU-UHFFFAOYSA-N 386.839 3.779 0 40 GHAB C[C@](O)(CNS(=O)(=O)Cc1ccccc1)C(c1ccccc1)c1ccccc1 95459882 FKWIWPYWQCRWTE-QHCPKHFHSA-N 395.524 3.689 0 40 GHAB CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc2ccccc2c1 28188675 KXLLHZNFUGTATN-UHFFFAOYSA-N 385.470 3.772 0 40 GHAB Cc1ccccc1NC(=O)[C@H](C)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 25390264 WRUDFWSFANCBJO-HNNXBMFYSA-N 392.425 3.558 0 40 GHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 32610048 PCMWJOVXTJAYOF-HUUCEWRRSA-N 394.258 3.844 0 40 GHAB CN1C(=O)S/C(=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)C1=O 408543457 RGOXPANGERWYEJ-LZYBPNLTSA-N 382.397 3.647 0 40 GHAB O=S(=O)(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc2nc(O)oc2c1 32869154 SYVZQAGSQVHXSL-BQYQJAHWSA-N 393.424 3.900 0 40 GHAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cccnc2N(C)C)C1 72352305 NDRZAQCYYMKJBU-HNNXBMFYSA-N 394.544 3.711 0 40 GHAB Cc1ccc(N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 219853398 KJNVVKDMDPMZCM-UHFFFAOYSA-N 381.495 3.699 0 40 GHAB O=C(Nc1cccs1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 38900055 LCRUAYWYNCKIKK-CYBMUJFWSA-N 398.444 3.938 0 40 GHAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)C3CC3)c3nnnn3c12 35313104 DUYJKSAHUVXXJZ-UHFFFAOYSA-N 389.434 3.664 0 40 GHAB COC(=O)c1cc(OCC(=O)Nc2ccc(C)c(F)c2)c2cc(C)ccc2n1 65033110 VQMRDYIMRYYNCG-UHFFFAOYSA-N 382.391 3.795 0 40 GHAB O=S(=O)(Nc1ccc(Br)cc1)c1cc(-c2ccno2)cs1 44903646 KDCPPQCIKYHCNJ-UHFFFAOYSA-N 385.264 3.966 0 40 GHAB COCc1cccc(NC(=O)c2ccc(C)cc2I)c1 225030459 SGHWNKRTXYCZRA-UHFFFAOYSA-N 381.213 3.998 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)cc1Cl 41091620 ILXIKUMEHAILIE-UHFFFAOYSA-N 399.863 3.832 0 40 GHAB Cc1cc(C)cc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c1 225950646 KSKKYFSQRVYUOH-KRWDZBQOSA-N 380.897 3.576 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 222583563 FEUIHAQURCRIDE-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1CCc2ccccc2C1 225734218 XZMHLHPYGQVPON-LJQANCHMSA-N 392.543 3.897 0 40 GHAB COC(=O)c1ccc2c(O)nc(CN(Cc3ccco3)C3CCCC3)nc2c1 48367901 IGNQTUMFPSOFTN-UHFFFAOYSA-N 381.432 3.660 0 40 GHAB COc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 225712000 SGLVYMNSWZYBBS-KQRQPNSISA-N 390.439 3.937 0 40 GHAB COc1ccc(OC)c(NC(=O)c2ccc(C)cc2I)c1 225010725 QSKPIQOIZSBGEK-UHFFFAOYSA-N 397.212 3.869 0 40 GHAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)Cc2cccc3ccccc23)c1 223901214 RSTRIZXPBWLRKO-UHFFFAOYSA-N 383.469 3.756 0 40 GHAB Cc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)o1 253595494 FFZJWVNDKSSNQB-CMERVKLISA-N 393.487 3.582 0 40 GHAB COc1ccc([C@H]2OCC[C@@H]2NCc2ccc(OCc3cscn3)cc2)cn1 585081501 JPKMXQRWSNUBRJ-PZJWPPBQSA-N 397.500 3.746 0 40 GHAB Cn1cnnc1[C@@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 257213174 CGLVWFFDWZIRAS-GOSISDBHSA-N 376.460 3.560 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@H]1CCc1cncc(-c2c(C)noc2C)n1 257291940 QJIKFEKXYDBPQS-INIZCTEOSA-N 397.504 3.751 0 40 GHAB CO[C@@H](CNC(=O)N[C@H]1CCCc2nc(O)ccc21)c1ccccc1Cl 675711170 OYEZOOMUDLXRKO-IRXDYDNUSA-N 375.856 3.505 0 40 GHAB CN([C@@H](CO)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccc2cnccc12 1615054702 AMVUXMUOJNWRRB-FQEVSTJZSA-N 398.528 3.886 0 40 GHAB O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CC[C@H](c2ccc(O)cc2)C1 629665041 LWQSNIHYQFHJLB-LPHOPBHVSA-N 378.394 3.601 0 40 GHAB Cc1cc(C)cc(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)c1 585111235 KOEBPQFQSXUFDS-OAQYLSRUSA-N 375.472 3.592 0 40 GHAB CC(C)c1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1 53996608 SLDONPMVBQJYRK-UHFFFAOYSA-N 379.504 3.760 0 40 GHAB CCc1nn(C)c(CC)c1CNC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 95437232 WINFFHZYLFJSNQ-UHFFFAOYSA-N 380.496 3.669 0 40 GHAB Cc1c(C(=O)Nc2c[nH]nc2C(=O)OC(C)(C)C)csc1Br 600051366 SNSMZNIWBZEATA-UHFFFAOYSA-N 386.271 3.750 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 5240924 CJMKVNIQYLFTPW-UHFFFAOYSA-N 390.461 3.995 0 40 GHAB CC(=O)NC1(c2ccccc2F)CCN(Cc2ccccc2-n2cccn2)CC1 12293047 UIPZMQCRSZMYMS-UHFFFAOYSA-N 392.478 3.639 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1Cl 12520874 RAOHUOZHIBAFQS-LLVKDONJSA-N 384.860 3.808 0 40 GHAB CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 12932902 WPJRMXOXSXNAAS-HXUWFJFHSA-N 386.517 3.994 0 40 GHAB Fc1ccc(N/C=C\c2nnnn2-c2ccc(Br)cc2)c(F)c1 16429792 UOBHJRHRDMPUJY-FPLPWBNLSA-N 378.180 3.786 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(C(F)(F)F)nn2[C@@H]1c1ccc(Cl)cc1 17078998 ZBZBVAQBNIKAKA-GFCCVEGCSA-N 386.761 3.802 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H]2c2nnc(-c3nccc4ccccc34)o2)on1 19119873 LZZLSCCZOCGCLR-OAHLLOKOSA-N 375.388 3.559 0 40 GHAB CCOC(=O)[C@@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCCN(CC2CC2)C1 19530021 HUWJZHSGLWBATD-VGOFRKELSA-N 388.483 3.764 0 40 GHAB CN1Cc2ccccc2OC2(CCC(N(C)C(=O)c3cc(C4CC4)on3)CC2)C1 19590883 CYDXFEDFSYVBJE-UHFFFAOYSA-N 395.503 3.830 0 40 GHAB COCCc1ncc(CN(Cc2ccccn2)Cc2ccccc2Cl)cn1 19593815 BJCHNRCYJSIFDR-UHFFFAOYSA-N 382.895 3.916 0 40 GHAB COc1cccc(CC[C@@H]2CCCCN2C(=O)c2ccc(-n3cnnc3)cc2)c1 19659316 ADIANVQFFYWCFQ-NRFANRHFSA-N 390.487 3.903 0 40 GHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2C(=O)c2ccccn2)n1 19689564 BZFQHCVAUAMVMH-IBGZPJMESA-N 391.450 3.721 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(CN2CCCCC2)cc1 7447751 PGDVMBREZQEVMU-PKNBQFBNSA-N 378.472 3.731 0 40 GHAB COc1ccc2cc(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)c(C)nc2c1 19715204 PGLVFSFBFXUZPL-NRFANRHFSA-N 381.451 3.724 0 40 GHAB COc1ccc2cc(CCNC(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1 4032886 HCLZWBHJCJCMBV-UHFFFAOYSA-N 378.472 3.807 0 40 GHAB Cc1cc(C)c2sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)nc2c1 4496322 LBLIODJKVPLEKQ-UHFFFAOYSA-N 392.477 3.855 0 40 GHAB Cc1c(C(=O)Nc2ccc(C(N)=O)cc2)sc2nc(-c3ccccc3)cn12 4930854 HNQPRHCDVHCUFI-UHFFFAOYSA-N 376.441 3.722 0 40 GHAB CCOc1ccc(-n2ccnc(SCC(=O)c3ccc(OC)cc3)c2=O)cc1 12415311 ONUDAWWQVAXLFU-UHFFFAOYSA-N 396.468 3.615 0 40 GHAB COc1cc2nc3sc(Nc4cc(C)cc(C)c4)nn3c(=O)c2cc1OC 16840478 CBZFYVHXKPNWTF-UHFFFAOYSA-N 382.445 3.682 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1c(C)nc2ccccn2c1=O 16975778 WWDGBYHSLUPZAK-UHFFFAOYSA-N 376.441 3.687 0 40 GHAB CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)nc2)cc1 21886364 TXGBMJNSFBLTNT-UHFFFAOYSA-N 382.441 3.565 0 40 GHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1F 675008289 OQAZWSDLXQNAMM-CYBMUJFWSA-N 383.491 3.628 0 40 GHAB Oc1c([C@H](c2cccc(F)c2)N2CCc3ccccc3C2)sc2ncnn12 22609623 PKOJWWNSJMRYDF-KRWDZBQOSA-N 380.448 3.783 0 40 GHAB Cc1cccc(NC(=O)C(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)c1 77184287 RMRXCRVMZZMDEK-DEOSSOPVSA-N 388.467 3.624 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)NCC2(c3ccccc3)CC2)cs1 40132264 SGSZFQVYJYTFIO-UHFFFAOYSA-N 395.484 3.687 0 40 GHAB CCCCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1)c1ccccc1 40129306 PDCPAKXDLQLFDT-UHFFFAOYSA-N 390.505 3.819 0 40 GHAB CC(=O)Nc1ccc(S[C@H](C)C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 40153891 QZCNRVRKAXRSIZ-FZKQIMNGSA-N 391.562 3.606 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 30482060 DZUOFOSXNARDAM-UHFFFAOYSA-N 375.534 3.769 0 40 GHAB O=C(c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)[C@H]1C=CS(=O)(=O)C1 7980201 SFHDVOSEWOSFNL-KRWDZBQOSA-N 395.402 3.659 0 40 GHAB CCn1ccc(-c2cc(C(=O)Nc3cc(C)n(C(C)C)n3)c3c(C)noc3n2)n1 36617999 ARMBHJZTBOGWIE-UHFFFAOYSA-N 393.451 3.753 0 40 GHAB C[C@@H](C(=O)OCn1c(=S)sc2ccccc21)N1C(=O)C(=O)c2ccccc21 36612532 FNUVZZHYAMZWOX-NSHDSACASA-N 398.465 3.551 0 40 GHAB C[C@]1(c2ccccc2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O 11376767 LJBDSDGDCNABBE-HXUWFJFHSA-N 381.819 3.962 0 40 GHAB Cc1nnsc1C(=O)O[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 7934577 CIWWEKGLBRGQPT-MRXNPFEDSA-N 395.484 3.621 0 40 GHAB Cn1cc(I)c(C(=O)Nc2cc(Cl)ccc2Cl)n1 996249 UQWPEIPLMBMSPS-UHFFFAOYSA-N 396.015 3.584 0 40 GHAB CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1366419 LLFJIDXKQYIZCV-UHFFFAOYSA-N 392.455 3.812 0 40 GHAB O=C1OCC[C@H]1Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 1425446 LKTJWBCCCWNVKI-OAHLLOKOSA-N 398.509 3.734 0 40 GHAB COc1ccccc1N1C[C@@](O)(c2ccc(OC(F)F)cc2)[N+]2=C1CCCC2 2966239 DKWFLYRLRZZUPJ-OAQYLSRUSA-N 389.422 3.557 0 40 GHAB COc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3c(Cl)cccc32)cc1 20735967 XBAMKPJCAOSKEW-HXUWFJFHSA-N 394.818 3.764 0 40 GHAB CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(C)c(C)c3)n2)cc1 4973935 GXRXUHINGCSNAS-UHFFFAOYSA-N 379.464 3.775 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 6270327 RRNRVHYVUQPRAM-UHFFFAOYSA-N 396.468 3.813 0 40 GHAB CCC[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ccccc2F)CC1 57669491 AGWJSZNVIISDJV-FQEVSTJZSA-N 386.519 3.981 0 40 GHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(OC(F)F)cc1 32753848 BWKPBRIDPNJWFX-LBPRGKRZSA-N 383.416 3.525 0 40 GHAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1C 2622052 CHUPZJJXPXGYRN-QHCPKHFHSA-N 376.456 3.578 0 40 GHAB CCNCc1cc(I)c(OC2CCCC2)c(OC)c1 16681758 ANOJJRKENWOKKD-UHFFFAOYSA-N 375.250 3.731 0 40 GHAB O=C(Nc1ccc2c(c1)CCC2)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 103715727 FNTYQOCNFGEYGT-HNNXBMFYSA-N 399.288 3.929 0 40 GHAB O=C1CCSc2ccc(C(=O)N3CCc4[nH]c5ccccc5c4C3)cc2N1 9902090 MFAZAIHVALJTRU-UHFFFAOYSA-N 377.469 3.801 0 40 GHAB COc1ccccc1C(=O)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 783793 WRNSGPLDDLWOCF-XMMPIXPASA-N 387.435 3.703 0 40 GHAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2ncnc3c2[nH]c2ccc(Cl)cc23)C1 100748291 XDQAALVUSWITTP-STQMWFEESA-N 391.862 3.550 0 40 GHAB C[C@H](c1nnc(-c2cccs2)o1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 22806996 NHCKYHZSKSMVJF-OAHLLOKOSA-N 396.516 3.612 0 40 GHAB Fc1ccccc1OCCn1cc(C(=S)N2CCOCC2)c2ccccc21 896702 IVFPOHYRJREMNH-UHFFFAOYSA-N 384.476 3.867 0 40 GHAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc3c(s2)CCC3)cc1 23040842 ZXDNWIRVBFCJPS-UHFFFAOYSA-N 383.473 3.997 0 40 GHAB COC(=O)Cn1/c(=N/C(=O)c2c(F)cccc2F)sc2cc(C)cc(C)c21 100910696 CNHXBLQMKFVSMJ-QOCHGBHMSA-N 390.411 3.512 0 40 GHAB Cc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)c(C(C)(C)C)c1 26781102 BUIKNSFVFCAGFF-OAQYLSRUSA-N 382.548 3.854 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 105666870 PRHAGOQBIBWZOS-XQQFMLRXSA-N 392.348 3.801 0 40 GHAB O=C(c1ccc(Cn2cncn2)cc1)N(Cc1ccco1)Cc1cccs1 24461928 GQJRLHOKAKMTKZ-UHFFFAOYSA-N 378.457 3.824 0 40 GHAB Cc1nc2cc(NC(=O)c3ccc(CN4C[C@H](C)O[C@H](C)C4)cc3)ccc2o1 25075053 XOHXLRKMYAGWGM-GASCZTMLSA-N 379.460 3.998 0 40 GHAB Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N[C@H](C)c3ccccc3)sc2n1 2911594 JDRBFFHGBBMEHP-CQSZACIVSA-N 396.516 3.636 0 40 GHAB COc1ncc(CN2[C@H](COc3cccc(C(F)(F)F)c3)[C@@H]3CC[C@@H]2C3)cn1 100112612 DRDUKHPRXXCAAB-QGPMSJSTSA-N 393.409 3.936 0 40 GHAB O=C(Nc1nc2c(s1)CCC2)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 25768806 GSHCKHDKZFCTEK-UHFFFAOYSA-N 394.500 3.711 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 20038850 JISUADAZFWBWQP-SFHVURJKSA-N 388.533 3.564 0 40 GHAB CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(C[S@](C)=O)c1C 116689599 WBCCWIZMORENNQ-MUUNZHRXSA-N 397.500 3.710 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)Cn1cnc2c(sc3ccccc32)c1=O 57507966 ZBOMRCAFNFSTJP-OAHLLOKOSA-N 391.496 3.749 0 40 GHAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)nc2cc(F)ccc12 58004272 MPGNONOQRKZMKD-HXUWFJFHSA-N 380.419 3.587 0 40 GHAB CC(C)c1ccccc1OS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 27943509 OOFJPKDHCWXPHI-UHFFFAOYSA-N 388.894 3.635 0 40 GHAB CCn1cc(C(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2cc(OC)ccc21 22236017 OZBMUBSEFZLRMF-INIZCTEOSA-N 378.472 3.781 0 40 GHAB COC(=O)c1cc(Cl)c(NC(=O)N(C)Cc2ccc(O)cc2)cc1OC 58414120 QITGCBXYMGKJKS-UHFFFAOYSA-N 378.812 3.505 0 40 GHAB CNc1ccccc1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 3242759 FZPQAYDXSYLHHQ-UHFFFAOYSA-N 387.745 3.591 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3ccccc3Cl)n2)cc1OC 2390453 KSXWIWWJSRHQRQ-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)N(C)[C@H](C)c3ccccc3)c12 28477902 NEKOGDJRLLVMPB-CQSZACIVSA-N 393.443 3.785 0 40 GHAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 10964462 CYPSLIPTUYWFCI-LBPRGKRZSA-N 378.519 3.579 0 40 GHAB CSc1nccn1-c1ccc(C(=O)NC[C@@H](C)N(C)c2ccccc2)cc1 48237345 CIAFOYSZXVTVNT-MRXNPFEDSA-N 380.517 3.849 0 40 GHAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)NCc1cccs1 8177120 NXWPBWDKKZOOOW-SNVBAGLBSA-N 380.520 3.602 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cnc(C)cn1)c1ccccc1 3467224 AFNKRXVGHHVPRQ-HXUWFJFHSA-N 391.427 3.639 0 40 GHAB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1 3504451 ZCMUHSGGDJMQIN-UHFFFAOYSA-N 391.874 3.803 0 40 GHAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 48548464 QQHWQGDCLDURGE-UHFFFAOYSA-N 377.771 3.771 0 40 GHAB CCc1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 6078848 BPJBPJHMPBGDEG-UHFFFAOYSA-N 379.441 3.764 0 40 GHAB C[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H]3OC(C)(C)OC[C@]32C)[C@]12CC[C@@](CO)(CCO)O2 6183182 VKCTYACKTCTDRG-WIDHOSKQSA-N 396.568 3.653 0 40 GHAB biogenic Cc1c(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 6184190 UKPPWXHRVYWCMF-FQEVSTJZSA-N 399.903 3.916 0 40 GHAB COC(=O)[C@H](CC(C)C)N[C@H]1C(C)=C(C)C(=O)N1CCc1ccc(Cl)cc1 13940316 ZMYHLEYCEOMCQH-RBUKOAKNSA-N 392.927 3.565 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc2ccccc2o1 5635860 ZXTQNHFXFSJUED-UHFFFAOYSA-N 384.457 3.860 0 40 GHAB COc1cccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)c1 7269462 AMLAMSSSTKZLFH-UHFFFAOYSA-N 387.486 3.769 0 40 GHAB O=C(COc1ccc(Br)cc1Cl)NC(=O)Nc1ccccc1 15800876 WJGDNMFAECIVNU-UHFFFAOYSA-N 383.629 3.830 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ccc2c(c1)OCO2 7641392 MSCWSFRLYCQISK-UHFFFAOYSA-N 391.265 3.557 0 40 GHAB O=C(COc1ccccc1)OCc1nc(-c2cccc(Br)c2)no1 7895935 PGTFVWYNNXXCEA-UHFFFAOYSA-N 389.205 3.621 0 40 GHAB C[C@H]1c2cccn2CCN1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 9637750 OSZSLPSSWCTTKV-INIZCTEOSA-N 381.476 3.935 0 40 GHAB Cc1nc2cc(NC(=O)c3n[nH]c4c3CCCCC4)ccc2n1CCCN(C)C 96231583 NHHBSKSRKMPEDZ-UHFFFAOYSA-N 394.523 3.541 0 40 GHAB O=C(OCCc1ccccc1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 96817282 WRZUNHXSBONZDW-CAPFRKAQSA-N 386.411 3.717 0 40 GHAB Cn1c(=O)[nH]c2cc(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)ccc21 84311001 RJAHDUGQWDAZOA-UHFFFAOYSA-N 389.377 3.690 0 40 GHAB COc1cccc([C@H]2[C@H](C(=O)NCc3ccc(C)c(F)c3)CC(=O)N2C2CC2)c1 95988697 NNFXPZPCUBSBFY-KNQAVFIVSA-N 396.462 3.511 0 40 GHAB COc1cc(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc2c1OCCO2 95946849 PBKLFWIBIXNUDJ-UHFFFAOYSA-N 379.416 3.521 0 40 GHAB CCc1c(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)cnn1-c1ccccn1 95960893 MQIYGZIDRJGXOB-UHFFFAOYSA-N 391.456 3.911 0 40 GHAB CCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C 9944368 KSNIVQJVMQZSDM-ZDUSSCGKSA-N 392.594 3.923 0 40 GHAB Cc1ccc(NC(=O)C(=O)N(C)Cc2c(F)cccc2Cl)c2cccnc12 89626912 PMJZRKGAMOJCFY-UHFFFAOYSA-N 385.826 3.933 0 40 GHAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2cc(OC)ccc2OC)CC1 408709765 WSROPNTVBNAHHZ-UHFFFAOYSA-N 376.497 3.754 0 40 GHAB O=C(c1cccs1)N1CCO[C@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306128345 GXZSVGFCCVAXHU-SFHVURJKSA-N 390.468 3.672 0 40 GHAB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 3958981 ULEUMMGDTQLOKJ-FRIJYXMCSA-N 394.515 3.975 0 40 GHAB biogenic,in-vitro Cn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)NC1CCCC1 409362587 RRAAQYIWJYTHQI-UHFFFAOYSA-N 394.541 3.539 0 40 GHAB CCCCN1C(=O)S/C(=C\c2cn(CC(N)=O)c3c(CC)cccc23)C1=O 409137701 YHWQGMNENADLET-YBEGLDIGSA-N 385.489 3.525 0 40 GHAB Cc1cc(C(F)(F)F)nc(CCNC(=O)c2ccccc2Br)n1 77101098 XURAULZHTAGHPL-UHFFFAOYSA-N 388.187 3.539 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c(C)c1 38754664 YFGYZRUZYCZICL-CYBMUJFWSA-N 380.897 3.819 0 40 GHAB COc1cccc([C@H](CNC(=O)c2ccccc2OC(F)F)N2CCCC2)c1 36701100 QAHLEUJDPXVMRR-SFHVURJKSA-N 390.430 3.864 0 40 GHAB CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 72344744 KALOTLLXRMTNAC-SFHVURJKSA-N 396.535 3.813 0 40 GHAB O=C(COc1ccc(F)cc1)NC[C@H](O)c1ccc(-c2ccsc2)s1 675008195 HTHHLUWRKSUDKI-HNNXBMFYSA-N 377.462 3.844 0 40 GHAB Cc1cc(C)n(-c2cc(SCC(=O)Nc3ccc(C)c(Cl)c3)ncn2)n1 49404209 NTOMNMSZMPIJFA-UHFFFAOYSA-N 387.896 3.972 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(CN2CCOCC2)c1 224739803 FLLXGNIBLZSFOE-JOCHJYFZSA-N 396.531 3.609 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCN2CCC[C@@H](C)C2)c1 225737219 HMILFIKTJITAEM-OAHLLOKOSA-N 377.554 3.580 0 40 GHAB CC(C)(C)C1=C[C@@]2(C(C)(C)C)[C@H]3C=C[C@@H]3[C@@H]1n1c(=O)n(-c3ccccc3)c(=O)n12 45071317 NTWZKDXZDZYCLR-ANEIOGAWSA-N 391.515 3.885 0 40 GHAB O=C(O)c1ccc([C@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccccc4)c32)cc1 40313259 SVTOQCRIKRJKSN-OAHLLOKOSA-N 376.368 3.997 0 40 GHAB biogenic CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccsc2)CC1 49027084 HLLJBQLAGPEUNC-UHFFFAOYSA-N 378.925 3.903 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 222594082 MTWDDRVFTQGZFA-QGZVFWFLSA-N 388.533 3.509 0 40 GHAB COc1ccc(OC)c(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 225601507 UBQCCRRCOCQZOH-UHFFFAOYSA-N 379.478 3.945 0 40 GHAB Cc1noc(C)c1S(=O)(=O)NCCSCc1ccc(Cl)cc1Cl 225627110 FLEYNWAPROQLLJ-UHFFFAOYSA-N 395.333 3.810 0 40 GHAB CCOc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1 225064994 DTYSEMVVIHLKAZ-UHFFFAOYSA-N 385.441 3.518 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(OC)cc1 222495976 XDJWYLZVKWOZGU-JOCHJYFZSA-N 396.531 3.878 0 40 GHAB COc1cccc(-c2c3c(=O)n([C@@H]4CCCC[C@@H]4C)ccc3nc3ncnn23)c1 40398236 GBUVEDYQWHPAJD-KBXCAEBGSA-N 389.459 3.866 0 40 GHAB O=S(=O)(NCc1cccnc1-c1ccco1)c1ccc(Br)s1 225662973 POXFNTNDOYFILQ-UHFFFAOYSA-N 399.291 3.644 0 40 GHAB COc1cc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(C)C)ccc1OC(F)F 95474010 QXKHDJNHOYFROA-AWEZNQCLSA-N 399.419 3.792 0 40 GHAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21)C1(n2cnnn2)CCCCC1 96223483 PPFHTEZXZKOEEI-KRWDZBQOSA-N 398.898 3.661 0 40 GHAB Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(Cc2ccc(Cl)cc2)C1 96244520 NKRCMKABPPZXRA-JOCHJYFZSA-N 398.938 3.934 0 40 GHAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1cccc(C(F)(F)F)c1 245174038 YHFCFDBNLYPEGN-UHFFFAOYSA-N 378.398 3.705 0 40 GHAB O=C(NCc1nc(CN2CCOc3cccc(F)c3C2)cs1)c1ccccc1 585080241 PRQVWMCSDZGHGT-UHFFFAOYSA-N 397.475 3.607 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@@H]1c1cnc(N2CC3(CCCCC3)OC2=O)cn1 257316063 VDYPANNCUAFVNG-MRXNPFEDSA-N 386.496 3.846 0 40 GHAB NC(=S)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515497 KLHKVLKRGVHTAK-RBSFLKMASA-N 386.325 3.835 0 40 GHAB O=C(O)[C@@H]1CN(C(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)C[C@H]1c1ccc(Cl)cc1 630173591 QFAIYYUIGLUENB-UJMXGEILSA-N 381.859 3.553 0 40 GHAB FC(F)(F)c1ccc(N2CCN(Cc3nc(-c4cccs4)no3)CC2)nc1 89800299 SFNCUUQZLFIRBA-UHFFFAOYSA-N 395.410 3.534 0 40 GHAB O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(Cl)cn1 3309332 SQLCTCVKTVDVGO-FPYGCLRLSA-N 382.750 3.532 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)COc3ccccc3C)c2C)no1 5669444 QDUVCFVHHGDHLN-UHFFFAOYSA-N 382.416 3.504 0 40 GHAB COc1ccccc1CN1CCC[C@H]([C@@H](NC(=O)C(C)C)c2nccs2)C1 12183332 HLSHJRUNUIEOPH-PKOBYXMFSA-N 387.549 3.877 0 40 GHAB Cc1cnc(C(=O)N2[C@H]3CC[C@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 12408053 KRJLJPUJKHBOMI-XUWXXGDYSA-N 391.393 3.876 0 40 GHAB CCOc1cc2c(cc1COC(=O)CCOc1ccc(OC)cc1)O[C@H](C)C2 14250717 FCSWCIPLANJVFR-OAHLLOKOSA-N 386.444 3.930 0 40 GHAB COc1ccc(CCN2CCO[C@@H](c3nccnc3-c3cccc(F)c3)C2)cc1 19693128 WVNVXDSPLSQPEB-OAQYLSRUSA-N 393.462 3.907 0 40 GHAB Nc1cc2ccccc2nc1C1CCN(C(=O)COc2ccccc2F)CC1 12087823 YDHZGCUTPLVAAK-UHFFFAOYSA-N 379.435 3.741 0 40 GHAB CN(C)Cc1ccc(C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)cc1 12087832 RUQRDKLOMMNHPM-UHFFFAOYSA-N 388.515 3.898 0 40 GHAB Cc1ccn2c(=O)cc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)nc2c1 14244578 HHGUKCJXNBEKTK-MRXNPFEDSA-N 390.512 3.992 0 40 GHAB Cc1ccc([C@@H]2[C@H](C(=O)O)CCN2C(=O)c2ccccc2Cn2cccn2)cc1 1848354204 RWAONMOKIYNWFD-NHCUHLMSSA-N 389.455 3.528 0 40 GHAB O=C(N[C@H](c1ccccc1)c1cccs1)[C@H]1CCCN(c2cnccn2)C1 29860289 WOTBPVFLSKXAPZ-FXAWDEMLSA-N 378.501 3.660 0 40 GHAB C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccc2c(c1)OCCO2 32678831 VQTZNNGNLJZDPK-OAHLLOKOSA-N 379.456 3.787 0 40 GHAB CCOc1cccc(CNC(=O)c2ccc(I)cc2)c1 48069685 PONBKOSUHBBJEC-UHFFFAOYSA-N 381.213 3.620 0 40 GHAB COc1ccc(NC(=O)c2ccc(Br)o2)cc1N1CCCCC1=O 5441926 GDHQZVBHZQCRFE-UHFFFAOYSA-N 393.237 3.820 0 40 GHAB COc1ccc(NC(=O)N2CCN3C(=O)c4ccccc4[C@]23c2ccccc2)cc1 6668410 WBHOAXZOIMZZNO-DEOSSOPVSA-N 399.450 3.900 0 40 GHAB CCN1CCCc2cc(CCNC(=O)C(=O)Nc3cc(Cl)ccc3C)ccc21 22732805 BZSXXDNTJCPBBJ-UHFFFAOYSA-N 399.922 3.718 0 40 GHAB Cc1ccccc1[C@@H]1CCN(C(=O)Cn2c(=O)oc3ccccc32)CCS1 219284762 ZWBSBBKRZMPMIS-IBGZPJMESA-N 382.485 3.610 0 40 GHAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1cnc2ccccc2n1 43939702 IWQINFICZWAUAE-UHFFFAOYSA-N 391.431 3.954 0 40 GHAB CCn1c(=O)c(C(=O)Nc2ccc(Br)cc2F)cc2cccnc21 5304070 GWNDPEFIVNWZIP-UHFFFAOYSA-N 390.212 3.570 0 40 GHAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cc(Cl)c2c(c1)OCO2 40023518 SOMSJJQKTHRZTQ-UHFFFAOYSA-N 381.819 3.995 0 40 GHAB O=C(NCC1(c2ccccc2)CCCCC1)[C@H]1CCCN(C(=O)N2CCCC2)C1 40092271 JVILMQUAGXPPRJ-FQEVSTJZSA-N 397.563 3.933 0 40 GHAB CCN(CC(=O)NC(C)C)C(=O)c1ccc(CSc2nc(C)cs2)cc1 40160390 OVRNSRYGNODBQX-UHFFFAOYSA-N 391.562 3.731 0 40 GHAB CC(=O)c1c[nH]c(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 11474058 JMHMZHGCULRROO-UHFFFAOYSA-N 379.294 3.643 0 40 GHAB CC[C@@H](C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(OC)cc3)nc12 845026 DRLJVADUQLDIDP-LLVKDONJSA-N 392.381 3.952 0 40 GHAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc(=O)c2c1 15859929 SXTPFCUQALEHHG-SFHVURJKSA-N 394.471 3.905 0 40 GHAB O=C(c1ccco1)N(C(=S)N1CCN(c2ccccn2)CC1)C1CCCCC1 1635197 SVBVCWPJHHDFOF-UHFFFAOYSA-N 398.532 3.557 0 40 GHAB O=C(O)[C@H]1CCCN(C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)C1 32090281 LHAJQOHKKMMEAY-JTQLQIEISA-N 399.299 3.983 0 40 GHAB O=C(COc1ccccc1F)NCc1ccc(-c2nc3cnccc3o2)cc1 32096264 XAGRIMKGSZEVAG-UHFFFAOYSA-N 377.375 3.724 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c(c1=O)S[C@H](C)C2 4107872 AAOFNMHFAXXNOC-GFCCVEGCSA-N 389.546 3.648 0 40 GHAB O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)N1CCCCC1 4126907 MCRILAASXRXCJL-UHFFFAOYSA-N 394.500 3.745 0 40 GHAB Cc1cc2cc3c(cc2n2c(SCC(=O)OC4CCCCC4)nnc12)OCO3 4215606 ROGARTAWEORUSM-UHFFFAOYSA-N 399.472 3.888 0 40 GHAB NC(=O)CSc1ccccc1C(=O)NCc1cccc(Oc2ccccc2)c1 32362444 ATUJBXKILVGWDH-UHFFFAOYSA-N 392.480 3.986 0 40 GHAB O=c1[nH]c(CSc2nnc3ccccn23)nc2scc(-c3ccccc3)c12 6517109 SFQISZCRNIKYTC-UHFFFAOYSA-N 391.481 3.987 0 40 GHAB O=C(CSc1nc2ccccc2[nH]1)Nc1cc2c(cc1Cl)OCCO2 29268598 JDOWILXDUUILSX-UHFFFAOYSA-N 375.837 3.718 0 40 GHAB CCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 6629634 IHWWUJWKXXRWIU-UHFFFAOYSA-N 380.517 3.671 0 40 GHAB C=CCc1cc(/C=C2/NC(=O)N(C)C2=O)cc(OCC)c1OCc1ccccc1 6959883 ZQRYKWLRKXWWTI-CPNJWEJPSA-N 392.455 3.915 0 40 GHAB CC(=O)Nc1ccc(-c2nnc(Sc3ccc(C=O)cc3[N+](=O)[O-])o2)cc1 7610273 IZOKEKNEROORBI-UHFFFAOYSA-N 384.373 3.567 0 40 GHAB CC(=O)N1CCN([C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 29449960 DIZZNDLYPXWBDL-INIZCTEOSA-N 396.922 3.963 0 40 GHAB CCCSc1ncc(Cl)c(C(=O)NCc2nc(-c3cccs3)no2)n1 46085636 YKZAOGNVSRXEQH-UHFFFAOYSA-N 395.897 3.674 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)C1CCCCC1 8169443 CHKIVAGBABARPT-UHFFFAOYSA-N 379.309 3.526 0 40 GHAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(CC)cc2)cc1 8415372 BJEYDFHFVBDTHH-UHFFFAOYSA-N 398.459 3.548 0 40 GHAB C[C@@H]1Cc2ccccc2N1Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 32777938 HGLWDYGPZOFCCG-CYBMUJFWSA-N 382.464 3.558 0 40 GHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@H]4COc5ccccc5O4)cc3c2C1 2645296 QJXNXPLSWVGJIB-ZBFHGGJFSA-N 376.456 3.863 0 40 GHAB Fc1ccc(CN2CCCN(Cc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 32901227 KNEVJDQGJFCLBH-UHFFFAOYSA-N 390.886 3.958 0 40 GHAB OCCCc1nc2ccccc2n1C[C@@H](O)COc1cccc2ccccc12 59001879 BHIYCKYDIWFEPD-GOSISDBHSA-N 376.456 3.554 0 40 GHAB CCOC(=O)COc1ccc([C@@H](C)NC(=O)CCc2ccc(C)cc2)cc1OC 32921919 FXXNJXPAYXKRRK-QGZVFWFLSA-N 399.487 3.756 0 40 GHAB CCc1cc(CNC(=O)Nc2ccccc2CN2CCc3ccccc32)[nH]n1 83820312 SMXNIYYRHQBBJJ-UHFFFAOYSA-N 375.476 3.857 0 40 GHAB CCOc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)c1 57416425 CTYVMBSBYIHYAG-AWEZNQCLSA-N 390.842 3.547 0 40 GHAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccc2c(c1)NC(=O)CO2 22278654 DVQHDBDCXZIHTN-UHFFFAOYSA-N 399.353 3.522 0 40 GHAB Cc1noc(C)c1CCC(=O)Nc1nc(CN2C[C@H](C)C[C@@H](C)C2)cs1 22296616 DMYAAGQAKYELCL-CHWSQXEVSA-N 376.526 3.797 0 40 GHAB CN1CCC(CCNC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC1 103311742 ANFHYJZUZQBMSC-GOSISDBHSA-N 381.467 3.697 0 40 GHAB C[C@H](NC(=O)c1coc(=O)c(Br)c1)[C@@H]1[C@H]2C[C@H]3C[C@@H]2CC[C@@H]1C3 101187723 PGLXEDMYMQAPFM-WSBBJUISSA-N 380.282 3.593 0 40 GHAB CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCc5ccccc5C4)ccc1c23 944837 WNDIVGYFJMCHRY-UHFFFAOYSA-N 392.480 3.567 0 40 GHAB Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)c1 993230 WUTIINJUJIMRIF-MRXNPFEDSA-N 385.847 3.736 0 40 GHAB CS(=O)(=O)c1ccc(NC(=O)CNc2ccc3c(c2)Cc2ccccc2-3)cc1 58431727 VQLZUWQXYJQEGA-UHFFFAOYSA-N 392.480 3.712 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(NC(=O)c2ccco2)s1 23689137 VKENAOJHEUDUGM-UHFFFAOYSA-N 399.428 3.813 0 40 GHAB CCCn1nc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)ccc1=O 24384636 ZWCWDIJZUXLVOA-MRXNPFEDSA-N 382.489 3.630 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1cccnc1)C[C@H]1CCCO1 55800162 PKTFBQFQDJOWAJ-GOSISDBHSA-N 378.394 3.851 0 40 GHAB O=C(CCc1cccnc1)NCc1cccc(NC(=O)c2cccc(F)c2)c1 55833697 KYYKIMSGYVQBKJ-UHFFFAOYSA-N 377.419 3.722 0 40 GHAB O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ncc(Cl)cc1Cl 3270085 HTAJHVZZDHUWGM-UHFFFAOYSA-N 391.613 3.905 0 40 GHAB CCc1cc(=O)n(CC(=O)N[C@@H](C)CCc2ccccc2)c(-c2ccccc2)n1 57527279 PPXQEEBGUBSPNF-SFHVURJKSA-N 389.499 3.610 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 3334577 FVSPPGULPBBYFD-FQEVSTJZSA-N 386.517 3.525 0 40 GHAB Cc1ccc(NC(=O)COC(=O)COc2cccc(C(F)(F)F)c2)cc1F 3359120 LFRUUCUKIKDNDQ-UHFFFAOYSA-N 385.313 3.714 0 40 GHAB Cc1ccnc(NC(=O)c2c(O)c3ccccc3n(Cc3ccccc3)c2=O)c1 2330447 WVDAOKMUCPLKAP-UHFFFAOYSA-N 385.423 3.711 0 40 GHAB Cc1cc(NC(=O)[C@H](C)Sc2cc(C(=O)NC3CC3)c3ccccc3n2)on1 10870605 AACUDPCQNGQFKY-LBPRGKRZSA-N 396.472 3.543 0 40 GHAB CSc1cccc(N2C[C@H](C(=O)NC34CC5CC(CC(C5)C3)C4)CC2=O)c1 16022380 JSGLMWVYACFBHA-GOWZHPGHSA-N 384.545 3.846 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CCCNC(=O)c1ccsc1 12978542 AFIOIMJUJYFQSO-UHFFFAOYSA-N 381.295 3.968 0 40 GHAB O=C(CNc1ccc(F)cc1Cl)Nc1cc(Cl)ccc1-n1cncn1 12929494 DIRJJDOTTBIVEJ-UHFFFAOYSA-N 380.210 3.764 0 40 GHAB COc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)cc1OC 3565514 MTNKVZKAGNTHKD-WEVVVXLNSA-N 379.359 3.966 0 40 GHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Br)cc1 3508820 NEWMMHNIIWPYLY-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB O=C(CC1(C(=O)O)CCCCCC1)Nc1cc(Cl)ccc1-n1cncn1 13467076 FPJZITCDKZAULB-UHFFFAOYSA-N 376.844 3.675 0 40 GHAB Cc1cnn(CC2CC2)c1NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 63848016 UYMJECWHSVLVKJ-UHFFFAOYSA-N 375.856 3.597 0 40 GHAB O=C(COc1ncnc2sc3c(c12)CCC3)N[C@H]1CCCc2ccccc21 6051675 LBCCXYNKHZTLPE-INIZCTEOSA-N 379.485 3.753 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccco2)cc1 8172515 RQIFWVIXELJATN-OAHLLOKOSA-N 384.457 3.880 0 40 GHAB COc1ccccc1N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccncc1 13776556 FQPUBSYWETUJMX-UHFFFAOYSA-N 385.423 3.779 0 40 GHAB O=C1OCC[C@H]1Sc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1 8191839 ORXSVEYRDVENKY-QGZVFWFLSA-N 376.441 3.823 0 40 GHAB C[C@H](Oc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 6127106 ZFKSAGDJRAJYBJ-INIZCTEOSA-N 390.439 3.771 0 40 GHAB CCc1nc(N2CCN(c3nc(C)cc(C)n3)CC2)c2oc3ccccc3c2n1 4301621 GIQGPHKSRGZBSX-UHFFFAOYSA-N 388.475 3.672 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 6314542 CUARYQUGMYDMDN-JTQLQIEISA-N 387.288 3.991 0 40 GHAB O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCN(c2ncccn2)CC1 6340242 CROQGHQGPLUWHE-FQEVSTJZSA-N 390.512 3.659 0 40 GHAB COc1ccc([C@H](CNC(=S)NCCc2ccccc2)N2CCCC2)cc1 6335989 PXGWRLYHPHXYQQ-NRFANRHFSA-N 383.561 3.539 0 40 GHAB C[C@H](CNC(=O)CN(C)CC(=O)Nc1cccc2ccccc12)c1ccccc1 8345169 SNFRPWKHIQUBMO-GOSISDBHSA-N 389.499 3.630 0 40 GHAB O=C(Nc1cccc2c1CCCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 14229138 UJNJDHYIFKAIHQ-UHFFFAOYSA-N 384.501 3.602 0 40 GHAB Cc1sc2ncn(C[C@H](O)COc3ccc(C(C)(C)C)cc3)c(=O)c2c1C 14245093 GTEXNKGBTOJAIO-INIZCTEOSA-N 386.517 3.812 0 40 GHAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(Cc1ccccc1F)C1CC1)C2=O 14245567 ZEQUGDVVFPFCSL-NYHFZMIOSA-N 387.499 3.884 0 40 GHAB O=C(NC(=S)N1CCOCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 6505331 GOWSJRCVKPTXTG-UHFFFAOYSA-N 385.272 3.600 0 40 GHAB O=C(Cc1ccccc1)N1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306138548 SAFAHIVVDZZYMR-OAQYLSRUSA-N 397.482 3.740 0 40 GHAB Cc1nc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n(C2CCCCC2)c1C 6657862 ZYNPNSLAXQMFKJ-UHFFFAOYSA-N 399.520 3.906 0 40 GHAB COc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC 8349309 MRRVLMVBXDMZCO-JCSUNJAGSA-N 392.459 3.517 0 40 GHAB Cc1c(Cl)ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1Cl 5739521 NGJKKQOYOQSSBO-UHFFFAOYSA-N 385.316 3.813 0 40 GHAB CCN(c1ccc(NC(=O)COC(=O)c2ccc(N(C)C)cc2)cc1)C(C)C 4882313 ZNQLBEJYGWAIIW-UHFFFAOYSA-N 383.492 3.783 0 40 GHAB O=C(COC(=O)COc1ccc2ccccc2c1)N[C@@H]1CCCc2ccccc21 4928663 AWWIDTXASCIBPP-JOCHJYFZSA-N 389.451 3.956 0 40 GHAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 7197888 LZYFBFAMDRQIOQ-UTKZUKDTSA-N 397.471 3.843 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)N1c2ccccc2OC[C@H]1c1ccccc1 7268846 YXVNEUBIPDXVRO-NRFANRHFSA-N 397.434 3.563 0 40 GHAB CCc1nnc(SCC(=O)Nc2ccc(OC)cc2OC)n1-c1ccccc1 9264986 IKORVOXHPNMKBO-UHFFFAOYSA-N 398.488 3.578 0 40 GHAB O=C(C[S@@](=O)Cc1csc(-c2ccc(F)cc2)n1)NCc1cccs1 71801141 XDOCASTUVZSXOF-RUZDIDTESA-N 394.518 3.576 0 40 GHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(F)cc1F 71844432 KXOGISQYECNAAB-FXAWDEMLSA-N 386.442 3.879 0 40 GHAB Cc1ccc(C[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2)c2ccccn2)cc1 72286378 KUKSZDCJJCFVJW-FQEVSTJZSA-N 395.409 3.707 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[C@H](CN(C)CC2CC2)C1 72308993 NLOUWRGGBHCEKD-DZGCQCFKSA-N 384.351 3.984 0 40 GHAB CSc1ccccc1NC(=O)CN(C)S(=O)(=O)CC1(C)CCCCC1 95942003 JVTCOOQAFRUCGQ-UHFFFAOYSA-N 384.567 3.579 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)C2(c3nc(-c4ccncc4)no3)CCCC2)c1 95963383 YCPOVUZTWSJZOK-UHFFFAOYSA-N 383.473 3.992 0 40 GHAB CC(C)Oc1ccc(NC(=O)NC[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 79101092 OJEFSUNGQGPFME-LJQANCHMSA-N 395.503 3.687 0 40 GHAB CCc1sc(C(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)cc1C 60065594 HVJXZHFDNSRMTB-ZDUSSCGKSA-N 387.423 3.807 0 40 GHAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)C5CC5)C4)nn3c2)c1 306135620 OWCMYYIRTSDZQC-GOSISDBHSA-N 376.460 3.521 0 40 GHAB COC(=O)c1cc(NC(=O)COc2ccccc2C(C)(C)C)cc(C(=O)OC)c1 408680354 RKODFYYQAXFCIT-UHFFFAOYSA-N 399.443 3.575 0 40 GHAB CCOc1c(Cl)cc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1Cl 32593656 SCDGJHBCGVGMIF-UHFFFAOYSA-N 378.219 3.620 0 40 GHAB COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 71327805 BYYKRDCCXOVXKN-UHFFFAOYSA-N 399.878 3.663 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 32722150 OHWUSNVKTSUHGD-QFBILLFUSA-N 398.890 3.832 0 40 GHAB CCCCOc1ccc(NC(=O)N2CCc3nc(NC(C)=O)sc3C2)cc1 70638400 SZLHPMUCWHZGFR-UHFFFAOYSA-N 388.493 3.871 0 40 GHAB O=C(NCCCN1CCc2ccccc2C1)c1cc(Br)ccc1F 32399832 LAUXETOGFPFCAF-UHFFFAOYSA-N 391.284 3.766 0 40 GHAB Cc1nccn1[C@H](C)CC(=O)N1CCc2onc(Nc3ccccc3F)c2C1 72397199 QNHAFOFKACTVSY-CYBMUJFWSA-N 383.427 3.598 0 40 GHAB O=C(N1CCN(Cc2ccc3c(c2)OCO3)CC1)C1(c2ccccc2)CCCC1 35623002 RRVQAKZGRSQSFH-UHFFFAOYSA-N 392.499 3.572 0 40 GHAB O=C(O)c1ccc(NC2CCCCC2)c(S(=O)(=O)NCc2ccccc2)c1 217471973 ZVSNCMKDHWVARW-UHFFFAOYSA-N 388.489 3.608 0 40 GHAB COc1ccccc1OCC(=O)NCc1ccccc1CN1CCCC[C@H]1C 36392050 XTZWYRBNZYDXRP-GOSISDBHSA-N 382.504 3.765 0 40 GHAB O=C(Nc1nc(C(=O)Nc2nc(-c3cccnc3)cs2)co1)c1ccccc1 70844641 REHDGYODPBGHII-UHFFFAOYSA-N 391.412 3.698 0 40 GHAB CCC1=NN(C(=O)COc2ccc(Cl)cc2Cl)[C@@](O)(C(F)(F)F)C1 32100038 BMVLSEWJCYWLDR-ZDUSSCGKSA-N 385.169 3.621 0 40 GHAB COc1ncccc1NC(=S)NCC1(c2cccc(Cl)c2)CCOCC1 224021681 XWSHKVNNZZUDOP-UHFFFAOYSA-N 391.924 3.778 0 40 GHAB COc1ccc(OC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 40140161 MGUOSBBFFDRBRD-UHFFFAOYSA-N 382.437 3.888 0 40 GHAB CC[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(C)cc1 222589187 SUFDKJLMZBLSFE-FQEVSTJZSA-N 386.517 3.806 0 40 GHAB CCCOC1(C(=O)Nc2ccc(OCC(=O)N3CCCC3)cc2)CCCCC1 225656744 SNCULBCFDXEBGS-UHFFFAOYSA-N 388.508 3.756 0 40 GHAB CN(CCOc1ccccc1Cl)C(=O)c1ccc(CN2CCCC2=O)cc1 48251715 NTTMIBCNGHSQKU-UHFFFAOYSA-N 386.879 3.613 0 40 GHAB CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1)c1ccccc1 40130930 HJCHLVMHHCBXAP-QGZVFWFLSA-N 390.505 3.644 0 40 GHAB FC(F)(F)Oc1ccccc1CN1CC(c2nc(-c3cccnc3)no2)C1 49483603 BJDUVBRWMCVHBY-UHFFFAOYSA-N 376.338 3.630 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccccc2F)c1 224075678 VCXCAFCKVIXBRU-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1F 225009145 MGHFFJKYPPQZQJ-IAGOWNOFSA-N 386.467 3.537 0 40 GHAB CC(C)c1nnc(NC(=O)c2ccccc2-n2cnc3ccccc3c2=O)s1 40266544 HLSPPJIFVNSCGT-UHFFFAOYSA-N 391.456 3.613 0 40 GHAB CC(C)OCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223080949 FOEBQNTZVZFIOS-UHFFFAOYSA-N 398.478 3.964 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1cccc(Br)c1 95477910 ULGPGYPJVWPIRZ-ZDUSSCGKSA-N 382.283 3.944 0 40 GHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C2CC2)CC1 257308764 TYAAPKIGQDBIGG-UHFFFAOYSA-N 390.527 3.969 0 40 GHAB Cc1cccc(-c2ccc(CC3(C(N)=O)CCN(C(=O)C4CC4)CC3)cc2)c1 257247875 JAYLMLZGROMTRG-UHFFFAOYSA-N 376.500 3.709 0 40 GHAB CC(=O)Nc1ccccc1Nc1ncncc1-c1nc(-c2cccs2)no1 252498181 QWGGONIXDNUAHO-UHFFFAOYSA-N 378.417 3.957 0 40 GHAB COCCC(=O)N[C@@]1(C)C[C@H](c2cccc(OC)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257306130 STAYJPGODJOFIG-ZHXYCXGVSA-N 375.509 3.873 0 40 GHAB Cc1ccc(Cl)c(NC(=O)CN2CCN(c3nccs3)CC2)c1Cl 57463571 LMYZFFPEACKQEH-UHFFFAOYSA-N 385.320 3.519 0 40 GHAB CNC(=O)c1ccc(-c2nc(C3(c4c(F)cccc4F)CCCC3)no2)cn1 583467312 WIQZJMDGSYIWNH-UHFFFAOYSA-N 384.386 3.630 0 40 GHAB CN1CCN(C2CCN(CCOc3ccc(Oc4ccccc4)cc3)CC2)CC1 1648066775 GFAUDMJPPWSMCN-UHFFFAOYSA-N 395.547 3.570 0 40 GHAB COc1c(C)cccc1C[C@H](O)C1CCN(C(=O)OCc2ccccc2)CC1 1569985965 TXAMWBADYMYJEJ-NRFANRHFSA-N 383.488 3.956 0 40 GHAB Fc1ccccc1CN1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 12407911 ORPNJMBVNYJSRZ-JKSUJKDBSA-N 383.393 3.617 0 40 GHAB CCOC(=O)[C@H](C)Sc1nnc(-c2ccccc2O)n1-c1ccc(C)cc1 13123829 OZZBOUWJCBWIFV-AWEZNQCLSA-N 383.473 3.992 0 40 GHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 13685776 KXUKXSSSMSEFHD-QZTJIDSGSA-N 396.487 3.618 0 40 GHAB COCCCn1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N\c1ccc(C)cc1 14093581 SFHBPQYMRKANDW-LNVKXUELSA-N 397.500 3.598 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 14214593 ZZPIGJCZXCLRQJ-AWEZNQCLSA-N 390.439 3.695 0 40 GHAB Cc1ccnn1[C@H](C)C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C 19238276 GLXPYCVOSLIJCJ-YCZSINBZSA-N 398.526 3.761 0 40 GHAB CCn1cc(-c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCO4)on2)c(C)n1 19524699 RCGOSLIMAHBZAA-ZDUSSCGKSA-N 380.448 3.682 0 40 GHAB Cc1noc2nc(C(C)C)cc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)c12 19663564 QYGKFPUYKDRAGR-KRWDZBQOSA-N 394.475 3.871 0 40 GHAB CCc1nnc2n1C[C@H](c1ccc(NC(=O)c3cc(C4CC4)on3)cc1)CC2 19699127 VEBZYSZJUHHRPS-OAHLLOKOSA-N 377.448 3.688 0 40 GHAB Cc1ccc2[nH]c(C3CCN(S(=O)(=O)c4sc(C)nc4C)CC3)nc2c1 19715990 QTYHLIAZGPUNHU-UHFFFAOYSA-N 390.534 3.513 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C)nc3c2c(C)nn3C)cc1 19716317 KPGYNTNGNGZBIG-IBGZPJMESA-N 378.476 3.961 0 40 GHAB C[C@@H](NC(=O)c1c(F)ccc(C(F)(F)F)c1Br)c1csnn1 627760628 DCMXZQDHHWDPKA-RXMQYKEDSA-N 398.179 3.950 0 40 GHAB CCOc1cc(CCC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)on1 12087848 SVVJKLJMWMXZGH-UHFFFAOYSA-N 394.475 3.543 0 40 GHAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCCNC(=O)c1ccccc1 25520400 BADAZLFQZCKUPH-UHFFFAOYSA-N 397.478 3.855 0 40 GHAB COCc1ccccc1CNc1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1 26719084 RMMGHVYBEURGGD-UHFFFAOYSA-N 391.537 3.648 0 40 GHAB Clc1ccc(OCCOc2cccc(-n3cnnn3)c2)c(Br)c1 32741499 DIHFOSIYEPVUQA-UHFFFAOYSA-N 395.644 3.536 0 40 GHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Nc1nc2ccccc2s1 37170286 QWWYROYMDIBRBS-GFCCVEGCSA-N 389.502 3.925 0 40 GHAB Fc1cc(F)c2nc(N3C[C@H]4CN(c5ncccc5F)C[C@@H]4C3)sc2c1 2087048838 FZOVBFVNPMCASM-GHMZBOCLSA-N 376.407 3.681 0 40 GHAB CN(C)c1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)cc1 4273338 FBQUHHZOKKEROL-UHFFFAOYSA-N 387.237 3.817 0 40 GHAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 5136584 YQFFKVRWFROMAI-UHFFFAOYSA-N 386.517 3.985 0 40 GHAB Cc1nc2cc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)ccc2s1 10218890 JJEDMCJWVWSAFF-UHFFFAOYSA-N 392.477 3.936 0 40 GHAB COc1ccc2nc(-c3ccc(F)c(NC(=O)Cc4ccc(F)cc4)c3)cn2n1 11693544 YUIYLRZZOTYCSH-UHFFFAOYSA-N 394.381 3.864 0 40 GHAB O=C(CSc1ccc(NC(=O)c2ccccc2)nn1)Nc1cccc(F)c1 11737839 DTUFVNZCKZEKRE-UHFFFAOYSA-N 382.420 3.599 0 40 GHAB COc1ccc(C2(CNC(=O)C(=O)Nc3cc(C)cc(C)c3)CCCC2)cc1 21691437 VJZUZNBLOPOLRJ-UHFFFAOYSA-N 380.488 3.879 0 40 GHAB Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)n2nnnc2N3)cc1 10336890 AXTPCWITFPURBV-RTWAWAEBSA-N 398.401 3.767 0 40 GHAB CCC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)c1 65993450 HBIHEHJLRKOZQC-AWEZNQCLSA-N 396.447 3.874 0 40 GHAB O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1C[C@H]1CCCO1 40024917 CJVUTLGRYZUFLH-IERDGZPVSA-N 392.434 3.961 0 40 GHAB COC(=O)c1c(C)[nH]c(-c2cccc(OC)c2)c1[C@H]1C(=O)Nc2ccccc21 100791469 HTVNCYJASBKGNX-SFHVURJKSA-N 376.412 3.869 0 40 GHAB biogenic C1=NC2=NC3=C([C@@H](c4cccs4)Oc4ccccc43)[C@@H](c3cccnc3)N2N1 2437772 POZMCLWWAHFHMU-WOJBJXKFSA-N 385.452 3.947 0 40 GHAB Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 640237 GTSXZTQATWYFOI-UHFFFAOYSA-N 384.501 3.588 0 40 GHAB CC(=O)Nc1ccc(CC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 11483781 KBBHBXOXLWZVTK-UHFFFAOYSA-N 394.393 3.583 0 40 GHAB O=C(NCc1ccco1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 865851 ILCNYGXSBZLJBL-RISCZKNCSA-N 380.326 3.659 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1 894336 GTLQAWLULPBMDU-UHFFFAOYSA-N 386.452 3.572 0 40 GHAB Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)[C@H]2CCCO2)cc1 1359218 VXISTCKVPSJJKS-JOCHJYFZSA-N 390.483 3.853 0 40 GHAB COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)cc1 1362713 VEGIZVRWSGVFCI-INIZCTEOSA-N 381.407 3.904 0 40 GHAB Cc1cccc2cc(CN(C(=O)C(F)(F)F)C3CCCCC3)c3nnnn3c12 1376750 DJKBABHVUXKPKP-UHFFFAOYSA-N 391.397 3.810 0 40 GHAB COc1ccccc1[C@@H]1C=C(c2ccc(Br)cc2)Nc2nnnn21 100822991 ZULBKVNJYARJBR-HNNXBMFYSA-N 384.237 3.500 0 40 GHAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2)cc1 1925555 PWANPLKZWCJEIN-HXUWFJFHSA-N 390.443 3.709 0 40 GHAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C)cc1 7939847 XFKGKKDNZSYEHH-UHFFFAOYSA-N 382.460 3.848 0 40 GHAB O=C(Cc1c(F)cccc1Cl)OCc1nc2ccc(Cl)cc2n1CCO 7986441 HRQCWKJVOAFUNO-UHFFFAOYSA-N 397.233 3.760 0 40 GHAB Cc1sc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)nc1-c1ccccc1 10000508 ONXQMCMIOWINFJ-UHFFFAOYSA-N 396.424 3.643 0 40 GHAB COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)Cc3ccccc3)c2)cc1 8471340 FXYNOWGKTCGLMZ-UHFFFAOYSA-N 388.423 3.907 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N1CCC[C@H](C(=O)Nc3nccs3)C1)C2 102137444 IGXSPEFLVVTWNO-CJXDPKRBSA-N 390.553 3.718 0 40 GHAB CCC(CC)c1nnc(NC(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)s1 21301129 IOFNQOMNTUFQNS-MRXNPFEDSA-N 390.509 3.656 0 40 GHAB CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2F)cc1OCC 10544007 QFTBYAUUGRWDRM-AWEZNQCLSA-N 381.469 3.804 0 40 GHAB O=C(CNc1ccccc1C(=O)NC1CC1)Nc1cccc(C(F)(F)F)c1 10752843 NFKGRGZUDQUQEV-UHFFFAOYSA-N 377.366 3.648 0 40 GHAB NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2SC2CCCC2)cc1 46303572 ORXWJUAUOJEHSW-UHFFFAOYSA-N 376.503 3.621 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 32738247 ZRWJUBRSCMNTEK-CYBMUJFWSA-N 381.881 3.766 0 40 GHAB CC(=O)N[C@H](C)CCc1ccc(C(=O)COc2ccc3ccc(=O)oc3c2)cc1 32778311 WQHIBUUWZIMZAT-OAHLLOKOSA-N 393.439 3.512 0 40 GHAB CCC(C)(C)NC(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 16379870 MGXPTDYHAZDNJB-HSZRJFAPSA-N 396.531 3.956 0 40 GHAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(O)c(Cl)c1 32969301 QXTSTBSGZPVFPR-UHFFFAOYSA-N 386.757 3.775 0 40 GHAB CCCn1/c(=N/C(=O)c2ccccc2OC[C@@H]2CCCO2)[nH]c2ccccc21 21843295 LBEJPSHJEDXQQC-INIZCTEOSA-N 379.460 3.678 0 40 GHAB CC[C@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1cc(C)on1 2759074 CVWUWQOWATVAHW-AWEZNQCLSA-N 396.476 3.805 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1C[C@H]1c1ccccc1 669625 IZTOXBAVGARGNF-DLBZAZTESA-N 399.497 3.686 0 40 GHAB Cc1ccc(C(=O)N(CC2CC2)C[C@H]2CCCO2)cc1I 677197 KMUTZNCMDFAVEK-OAHLLOKOSA-N 399.272 3.631 0 40 GHAB COc1ccc(CC(=O)Nc2ccccc2-c2nc(-c3ccncc3)no2)cc1 22462203 KLPWNQGAUUGYHQ-UHFFFAOYSA-N 386.411 3.988 0 40 GHAB CNC(=O)Cn1c(-c2c[nH]c3cccc(C)c23)cs/c1=N\c1ccccc1 103765841 CUQYRUXPDANPKM-FLFQWRMESA-N 376.485 3.985 0 40 GHAB O=C(NCc1ccc(Br)s1)c1cccc(CN2CCCC2=O)c1 23138723 CLQZLJSRRGMJHW-UHFFFAOYSA-N 393.306 3.563 0 40 GHAB Cc1ccc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)cc1C(F)(F)F 58779346 VNUBWXFCHGMAEV-UHFFFAOYSA-N 381.745 3.895 0 40 GHAB O=C(c1ccccc1Cc1ccccc1)N1CCN(C(=O)N2CCCCC2)CC1 24501742 PHMPXZRDFXZERO-UHFFFAOYSA-N 391.515 3.641 0 40 GHAB COc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1 12564184 PTHKWXUKJDJGFU-UHFFFAOYSA-N 397.475 3.920 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1ccc(OC)c(OC)c1 12551886 FNWUOSPCBRRZIA-ACCUITESSA-N 396.487 3.903 0 40 GHAB CC(C)CNC(=O)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 47729476 LDISLVBFSLTLHZ-UHFFFAOYSA-N 398.482 3.566 0 40 GHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](C)c1nnc2ccccn12 25994381 QSFXNBUWJFOFCP-GFCCVEGCSA-N 385.493 3.575 0 40 GHAB COc1ccc2[nH]cc(C3=CCN(C(=O)CN4CCCCCCC4=O)CC3)c2c1 57143339 KULMECUGQSUUNR-UHFFFAOYSA-N 395.503 3.585 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 26661255 NSTUCIOKURDHEM-UHFFFAOYSA-N 399.809 3.594 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccccc2F)c(-c2cccc(Cl)c2)n1 57527649 FYECUDZBMQGRBT-UHFFFAOYSA-N 385.826 3.904 0 40 GHAB COc1ccc(OCc2nnc3sc(-c4cccc(N(C)C)c4)nn23)cc1 10312307 WVRMDZDOXVSMHD-UHFFFAOYSA-N 381.461 3.506 0 40 GHAB Cc1cc(-c2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)c(C)s1 10521137 SZIHVSXWTORVGV-UHFFFAOYSA-N 389.477 3.996 0 40 GHAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 118928178 PEANADIJRKRMOK-CGUUHFFXSA-N 390.520 3.929 0 40 GHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)NC12CC3CC(CC(C3)C1)C2 17305396 OFQUPOWGNRHDFM-UHFFFAOYSA-N 385.489 3.616 0 40 GHAB C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 3504126 SDCZYPBCNDUBMB-LLVKDONJSA-N 393.394 3.800 0 40 GHAB O=C(NCCc1nnc2ccccn12)[C@@H](Sc1ccccc1)c1ccccc1 13005735 HGZMLPZMWGXGQQ-NRFANRHFSA-N 388.496 3.922 0 40 GHAB COc1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)c(OC)c1 13001633 NTEYZWHULDMEGH-UHFFFAOYSA-N 384.461 3.572 0 40 GHAB COc1ccccc1[C@H](C)NCC(=O)NCCSc1ccc(Cl)cc1 49581237 FSRPFQFCRORLOW-AWEZNQCLSA-N 378.925 3.908 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1)NCCCNC(=O)c1cc2ccccc2[nH]1 8404482 KRNYKYMXXGYCAU-DHZHZOJOSA-N 381.863 3.771 0 40 GHAB Cc1cc(-c2csc(NC(=O)CCn3cncn3)n2)c(C)n1CCC(C)C 14196459 OOXCXNOLNXUYJT-UHFFFAOYSA-N 386.525 3.895 0 40 GHAB Cc1ccc([C@](O)(CC(=O)NCCSCc2ccccc2)C(F)(F)F)o1 14241799 JOKXWKYUUPPGKG-QGZVFWFLSA-N 387.423 3.778 0 40 GHAB O=C(c1ccccc1Cl)N1CCC(N2CCN(c3ccccc3)CC2)CC1 4703477 CVJVEVGJEDIHFI-UHFFFAOYSA-N 383.923 3.767 0 40 GHAB CSc1ccccc1NC(=O)COc1ccc(Br)cc1CO 6787414 MTMXLVAVUGILRE-UHFFFAOYSA-N 382.279 3.681 0 40 GHAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccccc1Br 5797325 YYIVYHAUAXQAKO-UHFFFAOYSA-N 398.216 3.544 0 40 GHAB CCC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)s1 4977085 MVWKRMSGGLISEF-CQSZACIVSA-N 386.521 3.834 0 40 GHAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCCn1ccnc1 5940936 VKEWOMVBDXRFKZ-UHFFFAOYSA-N 379.247 3.973 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N2CCCC[C@@H]2C)n1 5999247 NVLMLQRLWTUTEW-NSHDSACASA-N 380.901 3.627 0 40 GHAB CC(=O)N1CCc2cc(N[C@H](C(=O)N3CCCCC3)c3ccccc3)ccc21 15477479 AXJNBAKJHFDHNK-QFIPXVFZSA-N 377.488 3.761 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCCC[C@H]2CCN2CCOCC2)c1 15831594 DXLJWCVNDYBJDS-FQEVSTJZSA-N 388.552 3.601 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3O)n2C)cc1 18201335 QUVMSLZXODIGMD-UHFFFAOYSA-N 388.880 3.880 0 40 GHAB O=C(NC1CCCCC1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 9198932 QCOXLFQBTDJVED-HNNXBMFYSA-N 387.911 3.661 0 40 GHAB Cc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(C)cc2)cc1 9237355 RDNUTVYOOBCFQJ-ROUUACIJSA-N 379.489 3.601 0 40 GHAB CCCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccncc4)n3)cc21 19820304 ZQJBGKPZAGALQC-UHFFFAOYSA-N 394.456 3.593 0 40 GHAB CCc1c(C(=O)Nc2cc(F)ccc2F)nnn1-c1ccc(OC(F)F)cc1 19911110 UONMVBBUQOLOIV-UHFFFAOYSA-N 394.328 3.962 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(Cl)cc21 9872795 XKMSJXHAMLERJK-LJQANCHMSA-N 394.254 3.586 0 40 GHAB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3COCCO3)c2C1 84169379 QYJPWVXNLMGQGO-HZPDHXFCSA-N 382.504 3.531 0 40 GHAB Cc1cccc(-n2nnc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)c2C)c1 84213233 ZVGRLVFJJXVFNB-UHFFFAOYSA-N 398.850 3.951 0 40 GHAB COc1ccc(CCNC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)cc1OC 72329529 UVAKKAZQFCAKQM-UHFFFAOYSA-N 398.434 3.681 0 40 GHAB O=S(=O)(Nc1cc(CC2CCCCC2)[nH]n1)c1ccccc1Cn1ccnc1 95466429 ZPOQSBRRJBFXEB-UHFFFAOYSA-N 399.520 3.578 0 40 GHAB Cc1csc([C@@H](OC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C(F)(F)F)n1 95964221 LXUKFEISJPLYLY-NXEZZACHSA-N 390.349 3.872 0 40 GHAB COc1cccc(Nc2nnc(SCC3(CS(C)(=O)=O)CCC3)s2)c1 89470261 DRAWLNATCQUQNK-UHFFFAOYSA-N 399.563 3.597 0 40 GHAB O=C1C[C@@H]2N(CC3CC3)CC[C@]2(c2ccccc2)CCN1Cc1ccccn1 306128891 HNTYLAAEHVELCQ-LADGPHEKSA-N 375.516 3.626 0 40 GHAB CC(C)(c1ccc(NC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)cc1)C(F)(F)F 554507111 RCBSQXOVLRRVTR-CVEARBPZSA-N 386.414 3.938 0 40 GHAB Cc1ccccc1C(=O)N1CC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306123555 APZIEXBGKAXTGM-LJQANCHMSA-N 383.455 3.729 0 40 GHAB COCCn1cc(C(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)c2ccccc21 524734613 VDJBUDKJZOLKAC-IBGZPJMESA-N 394.471 3.722 0 40 GHAB COC(=O)C1CCN(C(=O)c2cccc(OCc3ccccc3Cl)c2)CC1 219844038 ZDMQWXHFTZQKAN-UHFFFAOYSA-N 387.863 3.944 0 40 GHAB O=C1CCCN1c1ccc(CNc2ccccc2S(=O)(=O)C(F)(F)F)cc1 32829160 UQLHSIZZQKEUCZ-UHFFFAOYSA-N 398.406 3.719 0 40 GHAB CCc1ccc2[nH]c3nc(SCC(=O)NCc4ccc(F)cc4)nnc3c2c1 35289265 KDFOIIWVTOXSSN-UHFFFAOYSA-N 395.463 3.616 0 40 GHAB O=C(Cc1ccccn1)N1CCC[C@H](c2cccc(-c3ccc(CO)cc3)n2)C1 72349472 IAWJJBDWJKWOKI-FQEVSTJZSA-N 387.483 3.585 0 40 GHAB Cc1cc(C)c2c(=O)[nH]c([C@@H]3CCCN(C(=O)CC[C@H]4CCCO4)C3)cc2c1 72350711 RSICWTSHSWCMFC-IEBWSBKVSA-N 382.504 3.810 0 40 GHAB COc1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)c2cccnc12 225732381 VODKAACKBDCRNE-HOTGVXAUSA-N 386.565 3.898 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1 220117790 CSZJUGYJTDPVDH-MRXNPFEDSA-N 382.485 3.941 0 40 GHAB CCc1ccc(O[C@@H](CC)C(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1 222901229 YBUBZDFFUZPZSC-IBGZPJMESA-N 395.459 3.781 0 40 GHAB CCOc1cc2c(cc1[C@@H]1[C@H](c3ccccn3)N=C3S[C@@H](C)CN31)OCO2 222567046 IMKDNGBJKYEXHD-YXKWSERDSA-N 383.473 3.798 0 40 GHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(OC)cc1 222826198 BNINCPCNAGNOFM-HNNXBMFYSA-N 388.895 3.792 0 40 GHAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1 223609987 IKBMNABZTYXZRE-SFTDATJTSA-N 392.528 3.536 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 223591343 MTSWJGWHTIALCJ-LJQANCHMSA-N 382.504 3.544 0 40 GHAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 223647473 WDZCZDBGDHEPPZ-WOJBJXKFSA-N 398.532 3.534 0 40 GHAB Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 574610802 PGAJQQSYWHAAPW-IAGOWNOFSA-N 392.908 3.985 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 223622601 JDQOQWQJTYOMNK-IBGZPJMESA-N 382.504 3.544 0 40 GHAB COc1ccc(C(F)(F)F)cc1NC(=O)CN1CCN(c2ccccc2)C1=O 49378612 RLBOYHQKKUPJDL-UHFFFAOYSA-N 393.365 3.595 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(Cl)c1 223102947 BMOAMRXLAAVLKZ-LJQANCHMSA-N 388.895 3.581 0 40 GHAB O=C(CC(c1ccccc1)c1ccccc1)NC[C@]1(O)CCOc2ccccc21 77099968 NUTUGZPFKYMFGP-RUZDIDTESA-N 387.479 3.995 0 40 GHAB CC(C)=CC(=O)NCCNC(=O)c1cc2ccccc2n1Cc1ccccc1 94992923 ZCKIKOWJTPURQA-UHFFFAOYSA-N 375.472 3.502 0 40 GHAB CCc1cnccc1[C@H](C)NCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 543051851 GBVMFWLYTJNIGS-AWEZNQCLSA-N 385.489 3.553 0 40 GHAB Cc1ncsc1-c1cc(C(=O)N2[C@@H]3CN(C)[C@@H]4CCC[C@H]2[C@]4(C)C3)ccn1 257231467 GGUKMZMFNMNGHF-CQSHLORDSA-N 382.533 3.601 0 40 GHAB COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@H]1C(Br)=CC=C3C 253504286 FCXBYZRFHRNZPT-YJLNNSPDSA-N 376.294 3.754 0 40 GHAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)C(C)C)c2cccc(C)c2)cc1 260899687 PLKWIGLPNPBMCV-GOSISDBHSA-N 388.533 3.659 0 40 GHAB CN(C)c1ccc([C@H](O)CNC(=O)NC(c2ccccc2)c2ccccc2)cc1 90612029 QHDVUOVWLQKTNI-JOCHJYFZSA-N 389.499 3.875 0 40 GHAB C[C@H](NC(=O)N1Cc2cc(F)c(F)cc2C1)c1cccc(N2CCCC2=O)c1 654405577 QJKXFEWXAOOMCP-ZDUSSCGKSA-N 385.414 3.878 0 40 GHAB COc1cccc2cc(C(=O)NCc3ccc(-c4ccoc4)cc3)c(=O)oc12 390829630 FOHWTHIBOMWOSJ-UHFFFAOYSA-N 375.380 3.992 0 40 GHAB O=S(=O)(NC1(c2cccs2)CCOCC1)c1ccc(C(F)(F)F)cc1 390827085 DUSHGNWTGZAIEB-UHFFFAOYSA-N 391.436 3.751 0 40 GHAB Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 585182450 WLQDGPMZCRYANV-LJQANCHMSA-N 386.459 3.563 0 40 GHAB O=C(COc1ccccc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc(Cl)cc1 866252 YOPNXISXBBTBGM-QGZVFWFLSA-N 398.768 3.715 0 40 GHAB Cc1cccc(C)c1[C@H]1CCCN1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 664185907 NZSZGZKWYIMFSI-ZWKOTPCHSA-N 381.524 3.880 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615118998 GQHVLVBTPLASBO-JOCHJYFZSA-N 383.467 3.893 0 40 GHAB O=C(Nc1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 5560362 JJVXTJHVWYWCCU-UHFFFAOYSA-N 380.469 3.877 0 40 GHAB O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(Cn2cccn2)cc1 12193468 ZZQMBSOGYNLFHD-UHFFFAOYSA-N 393.447 3.765 0 40 GHAB CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 12981752 NQYQBKLRJQKETR-CQSZACIVSA-N 378.469 3.853 0 40 GHAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)n[nH]2)cc1 15679236 CVDGNRMEAXJZED-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1cc(C)n(Cc2cccs2)c1C 16313939 POFOQPYZYVYGSR-UHFFFAOYSA-N 399.468 3.824 0 40 GHAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)c1cc(C(C)C)nn1C)C2 19452262 GINPOBMEKPFDPV-NRFANRHFSA-N 397.519 3.546 0 40 GHAB CC(=O)N1CCc2nc(C3CCN(Cc4ccc(C(C)C)cc4)CC3)ncc2C1 19453196 IDOFEKARDAEZRE-UHFFFAOYSA-N 392.547 3.884 0 40 GHAB COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc(C(C)C)cc3)C2)no1 19453218 RGWCWGXMBNHKIY-LJQANCHMSA-N 385.508 3.554 0 40 GHAB CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(C/C(C)=C/c2ccccc2)C1 19739195 ZXJVVTDAZAQKBL-FUAYJARZSA-N 381.520 3.882 0 40 GHAB Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1C 165725191 MKJZNIUEYGAASH-LRGYGIHKSA-N 386.451 3.867 0 40 GHAB CCCCC(=O)NC(=S)Nc1cc(-c2ccc(C(=O)O)o2)ccc1OC 226351082 ZPVZPVGKRAXBCF-UHFFFAOYSA-N 376.434 3.657 0 40 GHAB COc1ccc(CN2CCC3(CC2)OCCc2cnc(C(C)C)nc23)c(OC)c1 12220560 SLZFFXMEWDDWMC-UHFFFAOYSA-N 397.519 3.681 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc(N(C)C)cc2)c(C)n1-c1nccs1 7438550 AETVUWIBWAMNFE-UHFFFAOYSA-N 383.473 3.656 0 40 GHAB COc1cc(OC)cc(-c2nnc(SCc3noc(CC(C)C)n3)o2)c1 31440004 JTOMYIIIGJLSFP-UHFFFAOYSA-N 376.438 3.628 0 40 GHAB CCS(=O)(=O)c1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1 32619143 ZCHIGKJBHOKTTA-UHFFFAOYSA-N 378.500 3.918 0 40 GHAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(N2C(=O)CCC2=O)cc1 4072535 XCZZHKRNPQMVDX-UHFFFAOYSA-N 383.454 3.777 0 40 GHAB COc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(F)cc2)CSC3)cc1 4087551 ZSHLSRHBCVCJIG-UHFFFAOYSA-N 383.448 3.948 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)c1ccc(Cl)cc1 4327452 XDCLDSITKALTGT-UHFFFAOYSA-N 381.848 3.815 0 40 GHAB CCOc1ccc(-c2cccc(NC(=O)c3cccc(OC)c3OC)c2)nn1 5259628 IXZRBJDDZCJTCN-UHFFFAOYSA-N 379.416 3.812 0 40 GHAB CC(C)(C)c1ccc(NC(=O)NCc2nnnn2-c2ccc(Cl)cc2)cc1 9616235 JBIBKDFTOZBVJE-UHFFFAOYSA-N 384.871 3.935 0 40 GHAB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)no3)nc2c1 12422304 YQBGSXRSTXPRFF-UHFFFAOYSA-N 380.429 3.843 0 40 GHAB COc1ccc(CCNC(=O)Cc2cc(-c3cc4ccccc4o3)on2)cc1 23127278 DNZPWLKQKNHHLM-UHFFFAOYSA-N 376.412 3.998 0 40 GHAB COc1cccc([C@@H](CNC(=O)c2ccc3ccccc3c2)N2CCOCC2)c1 23106077 LNXSFTUYKVCKAL-HSZRJFAPSA-N 390.483 3.652 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@H]2CS[C@@H](c3cccc4[nH]ccc34)N2)cc1 13573155 GUKJKVSZPXALBX-QUCCMNQESA-N 380.469 3.606 0 40 GHAB CN1CCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)[C@@H](c2ccccc2)C1 30030735 XOBAMEJDIFIRIO-HXUWFJFHSA-N 379.504 3.800 0 40 GHAB O=C(NCc1ccnc(N2CCCC2)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 30011770 XJJWRUJMGGPGDE-UHFFFAOYSA-N 381.867 3.655 0 40 GHAB CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)c1 40144827 BSBRHRJMMPFXFT-ZDUSSCGKSA-N 388.899 3.988 0 40 GHAB CC[C@@H](C)NC(=O)c1c(N)n(-c2ccccc2F)c2nc3ccccc3nc12 2403649 MRQQFVNCPQVQRR-GFCCVEGCSA-N 377.423 3.823 0 40 GHAB COc1ccc(-c2csc(NC(=O)[C@H](C)OCC(F)(F)F)n2)c(OC)c1 31685450 GKYAWOJTFVQWQD-VIFPVBQESA-N 390.383 3.733 0 40 GHAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3nc4ccc(OC)cc4s3)ccc21 28838547 DLGRZRVTEFJLJT-UHFFFAOYSA-N 394.456 3.595 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(C)n1CCc1ccccc1 923689 HDKBDAVJEVWKDT-UHFFFAOYSA-N 382.489 3.569 0 40 GHAB O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(-n2cccn2)cc1 11535022 IVTSZNOLVFKEAB-UHFFFAOYSA-N 386.411 3.648 0 40 GHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 31794358 CUHBTKGREVJSAL-LSDHHAIUSA-N 379.485 3.869 0 40 GHAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(C)c1 2621945 UYKNDFUERGBDDC-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB CCN(CC)C[C@@H](C)NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2778842 ITJLMXSFRIROFC-GHMZBOCLSA-N 394.869 3.840 0 40 GHAB COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(F)c2)c1 20744802 BHHBKICFJCFCLO-IBGZPJMESA-N 394.406 3.515 0 40 GHAB Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C1=O 4832681 RNFRRTLLBLSSGU-ZQFKLAOWSA-N 395.458 3.538 0 40 GHAB COc1ccccc1-c1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)no1 4880854 VYXVLTXRBHFIRN-UHFFFAOYSA-N 384.388 3.628 0 40 GHAB COc1ccc2nc(NC(=O)[C@@H](NC(=O)C3CCCCC3)C(C)C)sc2c1 11807008 BAMAOHZQUCPIEE-KRWDZBQOSA-N 389.521 3.965 0 40 GHAB O=C(OCC(F)(F)F)[C@H]1CCCC[C@H]1C(=O)NCCC12C[C@@H]3CC1C[C@@H]3C2 32581177 XOIMGDQMWJINKH-ZVVLNQKVSA-N 387.442 3.841 0 40 GHAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc3n2CCCCC3)cc1 8272532 JSXAQFYLLWXFTK-CQSZACIVSA-N 386.521 3.963 0 40 GHAB CCCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1 57670670 BTJPAVBXMALVAW-QFIPXVFZSA-N 390.535 3.775 0 40 GHAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 32796585 TYXZPMIUBXPTQR-GFCCVEGCSA-N 383.416 3.525 0 40 GHAB CCCC(=O)N1[C@@H]2CC[C@@H]1c1cnc3cc(-c4ccc(OC)cc4)nn3c1C2 100724639 IPZHWAJJGHNWQJ-DNVCBOLYSA-N 376.460 3.793 0 40 GHAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)CCn2c(=O)oc3ccccc32)c1 32859951 LRLXSWDJZPUKGA-UHFFFAOYSA-N 390.443 3.734 0 40 GHAB Cc1ccc(C)c(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 8369920 AWOOEKZEDREJQX-UHFFFAOYSA-N 388.533 3.952 0 40 GHAB COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 8471351 SLQCVGKPEKGYDE-UHFFFAOYSA-N 388.423 3.907 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)n2ncc(-c3ccc(Cl)cc3)nc2=O)cc1C 33324674 VGDMMLYHVUVJAK-AWEZNQCLSA-N 382.851 3.775 0 40 GHAB CCOC(=O)c1sc(Nc2ncc(C(=O)Nc3ccccc3)c(C)n2)nc1C 20799639 XMMDZRDDNZEKQL-UHFFFAOYSA-N 397.460 3.723 0 40 GHAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 950565 DZLSUQOVQMXEDQ-GOSISDBHSA-N 380.835 3.964 0 40 GHAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccccc1C(=O)NC1CCCC1 8395066 DVYAMODKHYMODT-UHFFFAOYSA-N 394.475 3.509 0 40 GHAB C[C@H](C(=O)Nc1ccc(NC(=O)c2csc3c2CCCC3)cc1)n1cncn1 24584148 MNJOUNCTGAGBGV-CYBMUJFWSA-N 395.488 3.670 0 40 GHAB Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1C[C@H]1COc2ccccc2O1 12567660 NNTNVRSLMPMUJU-INIZCTEOSA-N 396.516 3.504 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2csc(C)c2)CC1 100750136 WJENJPNNEFVCNO-QKLQHJQFSA-N 385.533 3.865 0 40 GHAB CN(C)[C@H](CNC(=O)COc1ccc(Cl)c2cccnc12)c1ccsc1 43286079 OUVFCRSLDIINIS-MRXNPFEDSA-N 389.908 3.748 0 40 GHAB O=C(NC1CC1)[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccccc1 24992696 UUXSBLZJRXDEHM-FQEVSTJZSA-N 383.879 3.899 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(F)cc1 105093597 PTXWTRHZXVVVLE-MRXNPFEDSA-N 376.840 3.582 0 40 GHAB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2cc(Cl)ccc2F)C[C@@H](C)O1 26547338 JNFFTWLKOJKBOG-CHWSQXEVSA-N 390.842 3.981 0 40 GHAB CCOC(=O)[C@@H]1C(=O)n2nc(C)c(-c3ccccc3)c2N[C@@H]1c1ccccc1 10385251 QAGWEFWKHKRCBD-RBUKOAKNSA-N 375.428 3.845 0 40 GHAB COc1ccc([C@@H]2CC(=O)c3cnc(NC4Cc5ccccc5C4)nc3C2)cc1 10494407 QQGKCNQOXSIDRM-SFHVURJKSA-N 385.467 3.977 0 40 GHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113950501 HIJFJUJNBZSLJM-FQEVSTJZSA-N 387.911 3.888 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)N4CCC(C)CC4)C3)no2)cc1 35989252 IVIQSWUVTZZOMI-IBGZPJMESA-N 395.503 3.761 0 40 GHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCc1ccccc1F 10225882 ATRRHQNYLXMUJZ-UHFFFAOYSA-N 390.462 3.930 0 40 GHAB COc1ccc2ccccc2c1CNC(=O)N1CCC[C@H](c2nc(C)no2)C1 58221382 STEHSIJJEUIMJY-INIZCTEOSA-N 380.448 3.629 0 40 GHAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N(C)c1ccc(OCC(=O)O)cc1 3307076 LHDKBIWIDHTDMY-UHFFFAOYSA-N 391.489 3.581 0 40 GHAB O=C1C[C@@H](C(=O)N2CCC[C@H]2Cc2ccccc2)CN1c1cc(F)cc(F)c1 58430328 OOHPZAQRZKEJPL-APWZRJJASA-N 384.426 3.551 0 40 GHAB Cc1ccsc1CNC(=O)c1ccc(F)cc1I 36391588 IMGFCZLLHDEKPP-UHFFFAOYSA-N 375.206 3.730 0 40 GHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)C2(CCCCC2)[C@@H](C(N)=O)C(=S)N1 2361818 FALPMKIMEMJFAT-HNNXBMFYSA-N 391.924 3.535 0 40 GHAB CC[C@@H]1CCCCN1CC(=O)Nc1c(C(=O)OC)[nH]c2cccc(Cl)c12 2399735 BPCSMJGPIFCFJB-GFCCVEGCSA-N 377.872 3.811 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3nc(-c4ccc(F)cc4)no3)c12 12798644 ZHTNBKMPNWXMFE-UHFFFAOYSA-N 394.362 3.955 0 40 GHAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1ccc2c(c1)CCC2 3407646 DMEHWJMTVIVJLW-UHFFFAOYSA-N 395.440 3.685 0 40 GHAB Cc1ccc(COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1 3447901 NRKKLQDHLGOCIL-UHFFFAOYSA-N 395.480 3.831 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 12971585 ARIWLJUERVTYDY-YWZLYKJASA-N 386.467 3.857 0 40 GHAB O=C(CCSc1nc(Cc2cccs2)n[nH]1)NCc1ccccc1Cl 12936271 MDTNMJUQGBVMRK-UHFFFAOYSA-N 392.937 3.909 0 40 GHAB CSc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1 3538413 ZGJMEXFMGDXDOG-UHFFFAOYSA-N 384.910 3.565 0 40 GHAB CCOC(=O)COc1c(Br)cc(Br)c2cccnc12 4031519 SEQKUEZKCMGCGE-UHFFFAOYSA-N 389.043 3.702 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)c1C 6235038 OOZBWDLIBXEDBI-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB Cc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)s2)Nc2nnnn21 6303011 DIQRLWKZFNDCMC-RYUDHWBXSA-N 376.283 3.952 0 40 GHAB CC(=O)Nc1cccc(C(=O)N(C)CCOc2ccc(Br)cc2)c1 14113577 HRRSQVVCOIRGNZ-UHFFFAOYSA-N 391.265 3.559 0 40 GHAB Cc1cc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)on1 65781789 FFOHGTGRNFHNHW-UHFFFAOYSA-N 378.215 3.752 0 40 GHAB Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)CN2CCCCCC2)[C@H]3CCC1 5448354 DWUJFNMLPXHGHA-CVDCTZTESA-N 381.564 3.880 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(O)c2)N1Cc1ccncc1 6744788 GJAFGNONSRRBII-JOCHJYFZSA-N 398.422 3.628 0 40 GHAB Cc1ccc(NC(=O)Cc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 6974743 FINDSWOSNKTRPE-UHFFFAOYSA-N 386.517 3.741 0 40 GHAB COc1cccc2cc(/C=C/C(=O)Nc3ccc(N4CCOCC4)cc3)oc12 8707574 XAFNZQLIOYWHON-MDZDMXLPSA-N 378.428 3.930 0 40 GHAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)N[C@H](c1ccccc1)c1cccs1 7047055 VHZXBVOKZVRCMY-HXUWFJFHSA-N 396.512 3.663 0 40 GHAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccccc3)cc2)C1=O 18206529 GOGLLQQCZLYIBA-XMMPIXPASA-N 399.450 3.856 0 40 GHAB Cc1nc(S[C@@H](C)C(=O)Nc2cccc(F)c2)n(C[C@@H]2CCCO2)c1C 18596373 QDBZVKUXSRQLFA-YOEHRIQHSA-N 377.485 3.937 0 40 GHAB Cc1cc(C)c2c(C)c(C(=O)N3CCN(CCc4ccncc4)CC3)oc2c1 15833101 MPFQZIHWKNNESL-UHFFFAOYSA-N 377.488 3.754 0 40 GHAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cccc(Br)c3)CC2=O)cc1 7609544 RRJHBOXAOQWXLD-HNNXBMFYSA-N 387.277 3.745 0 40 GHAB COc1ccc(OCCCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 7985341 CYJUJKZHVFYJGY-HXUWFJFHSA-N 397.471 3.989 0 40 GHAB O=C(NCc1coc(-c2cccs2)n1)NCc1ccccc1CN1CCCC1 8921354 VBSLBRWZRHCSCX-UHFFFAOYSA-N 396.516 3.998 0 40 GHAB CC(C)N1CC2(c3ccccc3)CN(C(C)C)CC(c3ccccc3)(C1)C2O 20130491 AXATZOZRCPBFKV-UHFFFAOYSA-N 378.560 3.671 0 40 GHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2noc3ccccc23)CC1 19204406 OZGDGFGWANFPKH-UHFFFAOYSA-N 398.894 3.804 0 40 GHAB C[C@H]1Cc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1S(C)(=O)=O 8297694 BIQCQZJCTOMRCE-LBPRGKRZSA-N 386.498 3.893 0 40 GHAB COc1cccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)n[nH]2)c1 9117210 INEUQNAOIXTSQK-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB COc1cccc(N(C(=O)c2ccc(=O)n(C)c2)c2nc3ccccc3s2)c1 9252402 ANQTZMAZSQBCFG-UHFFFAOYSA-N 391.452 3.982 0 40 GHAB Cc1nc(-c2c[nH]c(C(=O)N3CCO[C@@H](CCc4ccccc4)C3)c2)cs1 96014007 ZLZRXOGMPNRPMC-SFHVURJKSA-N 381.501 3.920 0 40 GHAB COc1ccccc1-c1noc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 9366251 JEHKIIDQANJYKL-KRWDZBQOSA-N 393.443 3.854 0 40 GHAB CN(C)C(=O)Nc1cccc(CNC(=O)Cc2ccc(Cl)cc2Cl)c1 78870315 VDABPUYDOQPTOO-UHFFFAOYSA-N 380.275 3.946 0 40 GHAB CSCC[C@@H](CO)NC(=O)c1ccc2nc(-n3c(C)ccc3C)sc2c1 9576940 ZPNUMYIFVNXWKL-HNNXBMFYSA-N 389.546 3.548 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)C[S@@](=O)Cc1csc(-c2ccc(F)cc2)n1 71801147 UQWXRKCMCGZKLU-DECPVXGASA-N 394.537 3.893 0 40 GHAB CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 79055053 DNBAHKMUKCHSLF-HOTGVXAUSA-N 390.480 3.870 0 40 GHAB CN(C)c1ccccc1CNC(=O)c1ccccc1N(C)C(=O)c1ccco1 79066478 WEBDZDUXRNDNSM-UHFFFAOYSA-N 377.444 3.552 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1ccc2c(OC)cccc21)CC3 79193270 BTFHXFGGJTXYBW-UHFFFAOYSA-N 389.455 3.725 0 40 GHAB biogenic CC(C)Oc1ccc(CCc2nnc(SCCO)n2-c2ccccc2)cc1 27532621 IQBPITWCYXUINP-UHFFFAOYSA-N 383.517 3.924 0 40 GHAB CC1=C[C@@H](CNCCN(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 30883539 CLIWYBLKZUNVHC-FHWLQOOXSA-N 376.589 3.915 0 40 GHAB biogenic,in-vitro CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 408996740 AJBOIKCLBCUKJR-UXHICEINSA-N 382.460 3.520 0 40 GHAB CC(C)c1nccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 72378480 BMQHUXCXQGLIEN-IBGZPJMESA-N 393.466 3.831 0 40 GHAB CCCCc1nc(C)c(CC(=O)N2CC3(CCC3)[C@@](F)(C(=O)OCC)C2)s1 1557459458 OCKNXYPVMBNOSI-FQEVSTJZSA-N 396.528 3.621 0 40 GHAB Cn1nc(NC(=O)c2ccc(F)cc2Cl)c2c1NC(=O)C[C@H]2c1ccco1 38520059 RBMJGIOUYUMCJD-NSHDSACASA-N 388.786 3.532 0 40 GHAB Cc1cc(CNC[C@@H](N2CCOCC2)C(F)(F)F)ccc1Oc1cccnc1 512977115 GNHCKTWWZCRDHO-LJQANCHMSA-N 395.425 3.535 0 40 GHAB CC(C)[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1 6221665 IGGXQCAOBXNXEZ-SFHVURJKSA-N 394.924 3.969 0 40 GHAB biogenic COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1nc2c(s1)CCC2 70666239 YIMUADCPAQIFTN-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB biogenic COCCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 72352032 MIBJOJHDYKBNJC-QGZVFWFLSA-N 383.492 3.885 0 40 GHAB CCn1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3-c2ccccc2F)cn1 36616461 VWCWBCJEWVESON-UHFFFAOYSA-N 390.422 3.906 0 40 GHAB Cc1ccc(OCCNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 225563270 INFFHVXURZMDPM-UHFFFAOYSA-N 383.517 3.796 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 225024382 KAEJONWCMWGJQX-IAGOWNOFSA-N 383.488 3.925 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 48065942 NVJYZVXGUOYQHN-JLHYYAGUSA-N 393.487 3.613 0 40 GHAB Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)s1 40121997 IIMPLLPWDVJAFE-UHFFFAOYSA-N 382.407 3.674 0 40 GHAB Cc1nc(Nc2ccc(C(=O)NCc3ccc(C)o3)cc2)c2nn(C)c(C)c2n1 41070264 MCOJTUBICCQKBM-UHFFFAOYSA-N 390.447 3.555 0 40 GHAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 224777985 CTHBSTMVIBEJRA-UHFFFAOYSA-N 378.519 3.578 0 40 GHAB COc1cccc(-c2cc(NC(=O)C[C@H]3CCOC3)n(-c3ccccc3)n2)c1 574134779 OGJGQHRGXYVPKP-MRXNPFEDSA-N 377.444 3.913 0 40 GHAB COc1cc(CNC(=O)C2(c3ccccc3)CCOCC2)ccc1OC(C)C 224265792 WUCPAXRVYGULDB-UHFFFAOYSA-N 383.488 3.847 0 40 GHAB CC[C@@H](NC(=O)CSCc1cccc(C)c1)c1ccc(S(C)(=O)=O)cc1 222746463 UQFVIRHHSIMUBG-LJQANCHMSA-N 391.558 3.899 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)cc1 223548097 QACUNIATOFXYQU-INIZCTEOSA-N 388.895 3.581 0 40 GHAB COc1ccc(C(=O)N2CC[C@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1F 225733489 KVZOLHMPHWKNSX-ZDUSSCGKSA-N 384.329 3.542 0 40 GHAB COc1ccc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223124543 SITBOJMORHIQJU-SFHVURJKSA-N 396.531 3.612 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccn3C)CC2)c2ccccc21 96079443 BKNHMUJSHAWXJE-GOSISDBHSA-N 393.531 3.601 0 40 GHAB COc1ccc(CCNC(=O)N2CC[C@H](c3noc(-c4cccs4)n3)C2)cc1 238836087 GSSFYCJRTVFQMC-HNNXBMFYSA-N 398.488 3.548 0 40 GHAB COC1(c2nc(C3CCOCC3)no2)CCN(C[C@H](C)c2ccccc2)CC1 583615879 IORWGCZXOKKLLA-KRWDZBQOSA-N 385.508 3.705 0 40 GHAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cccc(C)n3)C2)o1 257210221 BTRLRLJTEOELHB-SFHVURJKSA-N 391.471 3.997 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC[C@H]2C)n1 260737757 OCSXETRCINWVEI-OAHLLOKOSA-N 376.574 3.541 0 40 GHAB COc1cc(Cl)cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 1627172511 DUSLVLHGRXGVDE-UHFFFAOYSA-N 391.258 3.760 0 40 GHAB O=C(c1cc2c(s1)CCNC2)N(CCc1ccccc1)Cc1ccncc1 662789235 VFYUTDSKVRHUOO-UHFFFAOYSA-N 377.513 3.674 0 40 GHAB Cc1cc(Cl)c2ccccc2c1NC(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 666727132 XRXYUIVEJDXTTB-QWHCGFSZSA-N 380.897 3.889 0 40 GHAB CN1Cc2cc(-c3csc(NC(=O)[C@H]4CC45CCOCC5)n3)ccc2NC1=O 684538224 QDJFTYRHHPGXKP-CQSZACIVSA-N 398.488 3.543 0 40 GHAB COc1ccc(Nc2nc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cs2)cc1 607045682 ZAKPHXLUAUYPPV-UHFFFAOYSA-N 397.456 3.896 0 40 GHAB O=C(NCCn1ccc(-c2ccncc2)n1)Nc1ccc(C(F)(F)F)cc1 96098834 INCNVZCVPPQZNW-UHFFFAOYSA-N 375.354 3.786 0 40 GHAB O[C@H]1CCN([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1ccc(F)cc1 585283637 STAHPYYBEOSWOD-OHCFRWENSA-N 399.506 3.729 0 40 GHAB COc1ccc(CN2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)c(C)c1 1615123477 RVQDKJGZWWFCEZ-DEOSSOPVSA-N 394.515 3.792 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)c1 5022949 TXJQWDISCPZOSH-UHFFFAOYSA-N 386.452 3.572 0 40 GHAB COc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 14006307 LOVAYFLARNLJBY-OAHLLOKOSA-N 394.427 3.624 0 40 GHAB O=C(COc1ccc(Br)cc1Cl)NCCc1ccc(F)cc1 15186911 XHIHUKOBKNUDPP-UHFFFAOYSA-N 386.648 3.979 0 40 GHAB CC(=O)N1CCc2nc([C@H]3CCCCN3C[C@@H](C)c3ccccc3)ncc2C1 19456141 HJSUJDQVXKNDCS-VGOFRKELSA-N 378.520 3.712 0 40 GHAB CCC(=O)N1CCC[C@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 19498666 JKYAEWLISCVIGE-XMMPIXPASA-N 393.531 3.835 0 40 GHAB COc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)c1 19565414 PGZGFTCUDKRIIJ-FKBYEOEOSA-N 396.556 3.983 0 40 GHAB CCn1cc(-c2cc(C(=O)NCC3(N(C)C)CCCC3)c3ccccc3n2)cn1 19716552 QVPSCUREDOLMGP-UHFFFAOYSA-N 391.519 3.722 0 40 GHAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@@](C)(C(=O)NC3CCCC3)C1)n2C 19746592 QZXKUQFXGVYTAE-HSZRJFAPSA-N 381.520 3.788 0 40 GHAB CCCC(=O)N1CCC[C@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 19755383 FJVLTJDUXFXBSH-KRWDZBQOSA-N 382.464 3.510 0 40 GHAB O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccncc1 27739423 CQZYCDBPVYIVEJ-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB COc1ccc(CCn2c(=S)[nH]c3cc(Cl)ccc3c2=O)cc1OC 3043396 FUPZYWXCXPFNAC-UHFFFAOYSA-N 376.865 3.972 0 40 GHAB COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2cccnc2)cc1OC 4329810 ZSGVRDCGHFQDDK-HXUWFJFHSA-N 378.432 3.537 0 40 GHAB CN(C)CCN(C(=O)Cc1ccccc1)c1nc2c(F)cc(F)cc2s1 4359427 WUAFVGRUJFVCSP-UHFFFAOYSA-N 375.444 3.712 0 40 GHAB CCOc1cccc2cc(S(=O)(=O)c3ccc(F)c(Cl)c3)c(=O)oc12 4483790 IGHBQUTYVBMRCH-UHFFFAOYSA-N 382.796 3.817 0 40 GHAB C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)[nH]1)C12CC3CC(CC(C3)C1)C2 4607042 WIUYRYTXRYEOSB-ZHHULCEESA-N 397.544 3.736 0 40 GHAB CC(=O)c1s/c(=N\c2ccc(Cl)cc2)n(CCCN2CCOCC2)c1C 4940153 BJLDENHIFHXXSO-VZCXRCSSSA-N 393.940 3.669 0 40 GHAB O=S(=O)(Cc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCCCCC1 8901795 QFTSYIPUHRSMSG-LJQANCHMSA-N 396.553 3.924 0 40 GHAB CC(C)C(=O)N1CCCc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc21 22502729 LXKCLHODGJNKNP-UHFFFAOYSA-N 381.432 3.995 0 40 GHAB O=C(NCCOc1ccccc1)NC[C@@H](O)c1ccc(-c2ccsc2)s1 1775966872 JUORXCIGJJOXFB-MRXNPFEDSA-N 388.514 3.888 0 40 GHAB CCOCCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(F)ccc21 100873479 DFJFDGGTMSABGS-XDOYNYLZSA-N 386.448 3.822 0 40 GHAB CCc1ccc(-n2nc3c4cc(C(=O)N5CCCC5)ccc4[nH]cc-3c2=O)cc1 101282410 ZARCPQLFIKUUIL-UHFFFAOYSA-N 386.455 3.617 0 40 GHAB CCOC(=O)C[C@H](NC(=O)C(=O)c1c(C)[nH]c2ccccc12)c1ccc(C)cc1 4163767 ZUHOYNGVXZNXHG-IBGZPJMESA-N 392.455 3.778 0 40 GHAB CCOC(=O)Cc1c(C)nc2cc(-c3ccc(Br)cc3)nn2c1C 2484447 ZXRCZGJGHKONJH-UHFFFAOYSA-N 388.265 3.881 0 40 GHAB CC[C@@H](C)OC(=O)c1c(N)n(CCCOC(C)C)c2nc3ccccc3nc12 2411291 NPGUBLUPVIFTEZ-CQSZACIVSA-N 384.480 3.937 0 40 GHAB COc1ccccc1CN(Cc1noc(-c2cccs2)n1)C[C@@H]1CCCO1 69508658 RXKCJTYNFYPVDZ-INIZCTEOSA-N 385.489 3.988 0 40 GHAB CC(C)(C)c1ccc(C(=O)Nc2cc(O)nc3nc(-c4ccco4)nn23)cc1 16995492 FBQKAQCBJHHQLM-UHFFFAOYSA-N 377.404 3.640 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1ccc(-c2ccc3c(c2)OCCO3)nn1 1332303 CNQXCKUXXDKACE-GASCZTMLSA-N 399.516 3.796 0 40 GHAB O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 7612611 YSVTVKIJMGMQAP-UHFFFAOYSA-N 384.379 3.633 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NC1CCCCC1 57573199 NFVLOPPTRSSBPA-UHFFFAOYSA-N 379.526 3.706 0 40 GHAB c1ccc(CN2CCC(Nc3ncnc4c3cnn4-c3ccccc3)CC2)cc1 32871753 IXNRSUYYTGOXNC-UHFFFAOYSA-N 384.487 3.892 0 40 GHAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1cccc(Cl)c1Cl 32916320 RZNNUUBQCPIWFJ-CQDKDKBSSA-N 385.291 3.738 0 40 GHAB COc1ccccc1-c1cc(COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)on1 102607241 NPLZPGKGFNYSKU-ZNAOMFPMSA-N 383.444 3.725 0 40 GHAB O=C(NCc1cnn(Cc2ccccc2)c1)c1cc(Cl)c2c(c1)OCCCO2 46700814 JMTPNHWFPYKFLW-UHFFFAOYSA-N 397.862 3.676 0 40 GHAB O=C1c2cccc3cccc(c23)N1CN1CCN(Cc2ccc3c(c2)CCO3)CC1 22777265 OJYVIBZQERMZRP-UHFFFAOYSA-N 399.494 3.510 0 40 GHAB O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1cc(F)c(F)c(F)c1 61717622 MAISVNKYWYSNQN-UHFFFAOYSA-N 393.752 3.620 0 40 GHAB CCCC12CN(C(=O)CC(C)C)CC(CCC)(CN(C(=O)CC(C)C)C1)C2=O 910045 LZCWQRKIJBZZAY-UHFFFAOYSA-N 392.584 3.905 0 40 GHAB biogenic COc1ccccc1CN1[C@@H]2CCC[C@@H]1CC(NC(=O)Cc1ccccc1)C2 100425898 XWFPOWKBHQSEEQ-FGZHOGPDSA-N 378.516 3.940 0 40 GHAB CCCCNC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 113965480 CLESRWKTMRRDFB-UHFFFAOYSA-N 388.533 3.800 0 40 GHAB CCCn1c(NC(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)nc2ccccc21 12531388 ZMEVNINLESGHEJ-LJQANCHMSA-N 394.475 3.661 0 40 GHAB CCOc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)ccc1OCC(C)C 12535215 KHMCKIJKAIWVCR-LJQANCHMSA-N 379.464 3.566 0 40 GHAB CCOc1ccc(CN(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 24357555 RCHPTFCBDGSYPN-UHFFFAOYSA-N 389.395 3.805 0 40 GHAB O=C(CCS(=O)(=O)C1CCCC1)N1CCC(CCc2ccccc2)CC1 47797901 IAJGNIIHLANBAB-UHFFFAOYSA-N 377.550 3.605 0 40 GHAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(-c3nnco3)c2)CC1 24697635 YQFSQZIBWSEGLF-UHFFFAOYSA-N 390.443 3.536 0 40 GHAB CC(C)c1cc(C(=O)Nc2cccnc2-n2cccn2)c2cnn(C(C)C)c2n1 23171549 YKUJFLUTGRHCIQ-UHFFFAOYSA-N 389.463 3.969 0 40 GHAB O=C(NCc1ccnc(N2CCCCCC2)c1)c1ccc(N2CCCC2=O)cc1 107178583 CKMUDGONOYPRQB-UHFFFAOYSA-N 392.503 3.519 0 40 GHAB CCOC(=O)c1ccoc1COC(=O)c1cnn(Cc2ccccc2Cl)c1 26242405 NSKOBZSTIACDFB-UHFFFAOYSA-N 388.807 3.712 0 40 GHAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 20139918 WWKVORDRSPNWKS-OAQYLSRUSA-N 396.583 3.858 0 40 GHAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24933254 KGJJJMOFHRPWGR-HXUWFJFHSA-N 378.476 3.663 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)NCc2ccccc2CN2CCCC2)cc1 58160632 XJMYYPWIYJOLRX-KRWDZBQOSA-N 379.504 3.602 0 40 GHAB O=S1(=O)N=C(NCc2ccccc2COc2ccccc2)c2ccccc21 10258529 WCGNMIIRMQRWIO-UHFFFAOYSA-N 378.453 3.504 0 40 GHAB Cc1ccc(S(=O)(=O)c2c(N)n(CC(C)C)c3nc4ccccc4nc23)cc1 2267632 HMBSIUSOBHTYAS-UHFFFAOYSA-N 394.500 3.964 0 40 GHAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 408585606 GYLHIVNNWADSLS-UHFFFAOYSA-N 387.505 3.606 0 40 GHAB Cc1nc([C@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)cs1 48366894 GYTRDCUXLMLAQG-NRFANRHFSA-N 379.485 3.661 0 40 GHAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2nc(-c3ccccn3)cs2)C(C)C)c1 3476618 NCKGELNPDWILLM-SFHVURJKSA-N 394.500 3.907 0 40 GHAB CCOc1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1 3430038 OWSDUGVJRPRBNM-UHFFFAOYSA-N 391.265 3.606 0 40 GHAB CC1CCN(c2nc3nonc3nc2Nc2cccc(Br)c2)CC1 4045967 YOMCEEFUICAOOE-UHFFFAOYSA-N 389.257 3.755 0 40 GHAB CCCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 13944573 JHKUQBMTSUUYRZ-LLVKDONJSA-N 378.885 3.841 0 40 GHAB O=C(CCCCCNC(=O)N1CCn2c1nc1ccccc12)NC1CCCCC1 5452523 RNPALEPCZPNMEV-UHFFFAOYSA-N 397.523 3.575 0 40 GHAB O=C(CN1CCCc2ccccc21)N1c2ccccc2NC(=O)C12CCCC2 8747194 LFIDSWKFQDOWBE-UHFFFAOYSA-N 375.472 3.737 0 40 GHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1 409196158 UCLWPCICYNYDOO-CXUHLZMHSA-N 386.835 3.759 0 40 GHAB CCCOc1ccc(C(=O)CCC(=O)OCC(=O)NCc2ccc(C)cc2)cc1 6779050 XXVVAGATVMIHAC-UHFFFAOYSA-N 397.471 3.606 0 40 GHAB CCCn1nc(C(=O)Nc2nc(-c3cccnc3)cs2)c2ccccc2c1=O 6832141 NCUOHEPPASXSFD-UHFFFAOYSA-N 391.456 3.577 0 40 GHAB CCSCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 4987192 QJYHCGDLHKFIAU-OAHLLOKOSA-N 378.885 3.517 0 40 GHAB Cc1c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)oc2c1ccc1ccccc12 4989097 CYECHYSVDRMIFL-UHFFFAOYSA-N 382.416 3.676 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 6974925 SJLLDKOKTWUSQN-NRFANRHFSA-N 395.846 3.780 0 40 GHAB CC(C)(C)NC(=O)CSc1nnc(N2CCCC2)n1-c1ccccc1Cl 6994303 FREHYNLRFPQDTK-UHFFFAOYSA-N 393.944 3.528 0 40 GHAB CC(C)[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(F)cc1 15480161 NPSSAUQVBCXZNT-OAQYLSRUSA-N 383.467 3.643 0 40 GHAB O=C(Nc1ccccc1Cc1ccccc1)[C@@H](Cc1ccccc1)n1cnnn1 8936668 MNODSXWTLCMRBS-JOCHJYFZSA-N 383.455 3.686 0 40 GHAB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCc1nc2ccccc2s1 16695223 UDNCHRJPCOWSNV-CQSZACIVSA-N 398.488 3.556 0 40 GHAB O=C(CCSc1ccc(F)cc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 9550285 CUYDLBXHNIKXFP-GOSISDBHSA-N 386.448 3.601 0 40 GHAB COC(=O)N1CCCN([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 89913784 RSVINHXHAGMIQC-LLVKDONJSA-N 399.278 3.879 0 40 GHAB COc1ccc2c(c1)OCC(/C=C1/N=C(c3cccc(OC(F)F)c3)OC1=O)=C2 96939549 MERUFLAIFDUAOC-CAOOACKPSA-N 399.349 3.960 0 40 GHAB O=C(NC[C@H]1CC=CCC1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 95461336 OVFUZBMDRHVXDN-ZDUSSCGKSA-N 389.908 3.798 0 40 GHAB Cc1ocnc1CNC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 95454923 KTIMZUPCLQYEEB-UHFFFAOYSA-N 381.388 3.612 0 40 GHAB Cc1oc(-c2cccs2)nc1CS(=O)(=O)C[C@@H](O)c1c(F)cccc1F 98151387 DHUSUHJROVPKKF-CQSZACIVSA-N 399.440 3.638 0 40 GHAB O=C(CCc1ccccc1)N1CC[C@@]2(C1)CN(Cc1cccnc1)c1cccnc12 306144300 ZBVREMOJUSKCGU-RUZDIDTESA-N 398.510 3.600 0 40 GHAB Cn1cc(-c2csc(NC(=O)c3cccc(-c4noc(C5CC5)n4)c3)n2)cn1 95962124 FQXYVINQOAQEFX-UHFFFAOYSA-N 392.444 3.723 0 40 GHAB CC(=O)c1cc(F)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(F)c1 95976429 BCWGPHSWFAUZOO-UHFFFAOYSA-N 379.306 3.987 0 40 GHAB CC(C)Nc1cccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)c1 79072544 ZITMMHBXJIUDGP-PZJWPPBQSA-N 399.922 3.996 0 40 GHAB Cc1ccc(C(=O)N2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 306143488 YDKUVEPYAGAPQE-HXUWFJFHSA-N 383.455 3.729 0 40 GHAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc(OC)c1O 170612484 CFBIVVPQSCMBOS-BAEBNTIFSA-N 391.514 3.812 0 40 GHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 30855084 RVOQFMOLVQPHLS-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB Cn1nc(C2CCOCC2)cc1C(=O)N1CCCSC[C@@H]1c1ccccc1 1521715392 LHQWKKMBOAHVEB-HXUWFJFHSA-N 385.533 3.635 0 40 GHAB CC(C)c1cc(-c2nnc3sc(-c4ccc(Br)o4)nn23)n(C)n1 79495219 ZVDSIPGGFGVNOD-UHFFFAOYSA-N 393.270 3.732 0 40 GHAB Cc1cc(NC(=O)C2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)no1 49027015 SRLDKQZVIQGJBQ-UHFFFAOYSA-N 396.472 3.597 0 40 GHAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1cnc(Br)cn1 223910565 DIDCOOBGIKSZOF-UHFFFAOYSA-N 389.278 3.986 0 40 GHAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCC(N2CCc3sccc3C2)CC1 225689494 NJFQZQLFUCJFDY-UHFFFAOYSA-N 398.557 3.863 0 40 GHAB Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 44852591 JULNHOGUGNQMSV-GOSISDBHSA-N 384.495 3.930 0 40 GHAB CCOc1cc(C=O)c(Br)cc1OCc1cccc(C(=O)O)c1 45221782 JSZQUFSNMYDZLE-UHFFFAOYSA-N 379.206 3.938 0 40 GHAB CCCCOc1ccc(NC(=O)NC[C@](C)(O)c2ccc3c(c2)OCO3)cc1 77184728 ZPICNJYOGLPCHO-NRFANRHFSA-N 386.448 3.623 0 40 GHAB CC[C@@](Br)(C(=O)c1ccc(Br)cc1)S(=O)(=O)CC 96518702 WHTCPLJUZPDTON-LBPRGKRZSA-N 398.116 3.568 0 40 GHAB Cc1ccccc1C(=O)N1CCC(Oc2ncccc2Br)CC1 96096941 SBLIGIPBUMKBJW-UHFFFAOYSA-N 375.266 3.836 0 40 GHAB COCCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2C)[C@@H]1c1ccccc1C 257285276 PGKFQHOFEMAIRU-GGAORHGYSA-N 394.515 3.546 0 40 GHAB Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3nonc3C)C2)n1 257321077 VZZUWAAAHQUKAV-HNNXBMFYSA-N 395.438 3.984 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3nc4ccccc4s3)C2)nc1 56331630 SZJMVPKFGLKTRU-CQSZACIVSA-N 395.488 3.882 0 40 GHAB CCn1nc(C)c(CN2Cc3cc(C)ccc3OC3(CCN(C)CC3)C2)c1C 72394190 ZZPIJCOCMLFCQK-UHFFFAOYSA-N 382.552 3.687 0 40 GHAB Cc1ccnn1CCC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615157440 NSOLPCQOZUNTGZ-PMACEKPBSA-N 384.499 3.769 0 40 GHAB COP(=O)(OC)[C@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl 3214552 OFRPUAPRUQZYLY-BCPZQOPPSA-N 386.599 3.998 0 40 GHAB O=C(CCc1ccccc1)NCCc1nnc2c(C(F)(F)F)cc(Cl)cn12 5483568 IEYKIPQVUFRKBL-UHFFFAOYSA-N 396.800 3.693 0 40 GHAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 5851001 FRNBXOLEYIPXGD-NTEUORMPSA-N 393.468 3.843 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)cc2n1 12220387 FSOVFEXBQMKOQB-CABCVRRESA-N 396.413 3.714 0 40 GHAB O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 12523615 SSCCYPZVQQRCSN-UHFFFAOYSA-N 377.787 3.788 0 40 GHAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(OC(F)F)cc3)c2C(N)=O)C1 12937017 WXANOVGZBZETND-SECBINFHSA-N 380.416 3.826 0 40 GHAB CSc1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1 15015215 VUJVEZUPVCLXNU-GDNBJRDFSA-N 385.901 3.741 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 15540065 KFUNQMSQSBMEGH-UHFFFAOYSA-N 391.379 3.895 0 40 GHAB Cc1cccc(-c2noc(Cn3ccn4nc(-c5cccs5)cc4c3=O)n2)c1 16842788 LGANWYOICRPMQA-UHFFFAOYSA-N 389.440 3.631 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(C(=O)C4CCCCC4)[C@H]23)cc1 19019291 MMQBNGSBJRYOMB-YPAWHYETSA-N 384.520 3.581 0 40 GHAB O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 19369042 OMUYDJZYUGVSLD-WOJBJXKFSA-N 392.528 3.921 0 40 GHAB C[C@H]1Cc2cc(CCC(=O)NCCc3nc4cc(Cl)ccc4[nH]3)ccc2O1 19498134 GXNVEBKSSQURJB-ZDUSSCGKSA-N 383.879 3.831 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4ccc(F)cc4)C[C@H]23)cc1 19019416 AYZUSPWJYLNXJA-DNVJHFABSA-N 382.479 3.671 0 40 GHAB COCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccc3C)CC[C@H]21 19237241 QEHKPQFFKHOXEE-DNVJHFABSA-N 396.506 3.597 0 40 GHAB Cc1ccc2nc(Cc3ccc(NC(=O)[C@@H]4CC(=O)N(C(C)C)C4)cc3)[nH]c2c1 19659619 DXJYXULXUQHUKJ-QGZVFWFLSA-N 390.487 3.658 0 40 GHAB COc1ccc(CC(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 3370662 BGDYSVBAOFEFEW-UHFFFAOYSA-N 389.451 3.687 0 40 GHAB O=C(CN1CCC(Cc2ccccc2)CC1)NCCc1nc2ccccc2s1 15377525 RGGOGKQXQFKMCX-UHFFFAOYSA-N 393.556 3.910 0 40 GHAB COC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 21356319 SAPPJQYGIHGBGX-MRXNPFEDSA-N 388.423 3.618 0 40 GHAB Cc1ccccc1-c1noc(CN2CCN(C(=O)Nc3ccccc3F)CC2)n1 31662478 DZXREURJKYKLJP-UHFFFAOYSA-N 395.438 3.534 0 40 GHAB Cc1noc(C)c1CN1CC[C@H](COc2ccc3nc(C(C)(C)C)cn3n2)C1 2087043836 VGALXNUCNXZVKR-INIZCTEOSA-N 383.496 3.533 0 40 GHAB O=C1C[C@H](N2CCC(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 4784445 JAPZYWROOIPVIC-IBGZPJMESA-N 386.854 3.991 0 40 GHAB Cc1cccc(NC(=O)c2cccn(OCc3cccc(Cl)c3)c2=O)c1C 5054824 UHZBRYNVNHCRAZ-UHFFFAOYSA-N 382.847 4.000 0 40 GHAB CCc1ccc(N2C(=O)N(c3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 6168783 SOQSIENAPBFTEU-ZWKOTPCHSA-N 390.892 3.515 0 40 GHAB Cc1cc(C)n(-c2cc(SCC(=O)Nc3cccc(Cl)c3F)ncn2)n1 49404171 YXJLUMAQJACGRL-UHFFFAOYSA-N 391.859 3.802 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)NCC[C@H](CCO)c3cccs3)c2O1 575607773 OSTLCWMNGMANSB-OAHLLOKOSA-N 389.517 3.513 0 40 GHAB CCN(CC)Cc1ccccc1CNc1ccc2nnc(C(F)(F)F)n2n1 40024880 AWWQEDHNACWPLC-UHFFFAOYSA-N 378.402 3.597 0 40 GHAB O=C(CCc1ccc(-c2ccccc2F)o1)NC[C@H](O)COc1ccccc1 40089110 BJKPEAMYDVPTAK-INIZCTEOSA-N 383.419 3.574 0 40 GHAB O=C(/C=C/c1ccc(Br)cc1)NCCN1CCc2ccccc2C1 30319797 OBFJGJXVGQBDRK-JXMROGBWSA-N 385.305 3.637 0 40 GHAB CCOc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1OC 11191514 KNWROECWTFWXKN-UHFFFAOYSA-N 396.491 3.872 0 40 GHAB CN(Cc1ccsc1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 7229847 RZKLISASQLOETB-UHFFFAOYSA-N 384.530 3.957 0 40 GHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)CCc1ccccc1 59116461 VDOSXKYMPPIBNQ-UHFFFAOYSA-N 386.517 3.741 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)cc1 917195 UXGQIZVUVBWOPK-UHFFFAOYSA-N 377.473 3.810 0 40 GHAB Cc1nnc(NC(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)s1 1329421 JIWACGYRAIZHNB-UHFFFAOYSA-N 382.474 3.516 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)C(F)(F)F)cc2c1 1359329 FBRZSJHETZDXKO-UHFFFAOYSA-N 378.350 3.775 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 1362720 HSUQJJBLSMCEFJ-MRXNPFEDSA-N 395.532 3.953 0 40 GHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(C(C)=O)cc1 7428281 LJIJAXISYRPYCB-UHFFFAOYSA-N 389.454 3.691 0 40 GHAB CCCCCC(=O)NC(=S)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1 1838822 HBVYAMKXVSRODT-UHFFFAOYSA-N 396.988 3.875 0 40 GHAB CC(C)OCCCNC(=O)c1ccc2c(=O)n(-c3cccc(Cl)c3)cnc2c1 32070939 TZJXGKSYANIPEU-UHFFFAOYSA-N 399.878 3.584 0 40 GHAB COC(=O)c1ccccc1NC(=O)N1CCSC[C@@H]1c1ccc(OC)cc1 32091428 DBBBMKOQKSHYBJ-GOSISDBHSA-N 386.473 3.804 0 40 GHAB COc1cccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccccc4OC)cnn32)c1 20724950 FRKBWUIQZCXXMD-KRWDZBQOSA-N 392.415 3.739 0 40 GHAB O=C(c1cccc(Br)c1)N1CCC[C@H]1c1nnc2n1CCCCC2 40817093 SVLLUDQFRRBPCH-HNNXBMFYSA-N 389.297 3.744 0 40 GHAB COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)c1 4894424 NCOKLZMITKAOFC-LZGZYFLISA-N 397.519 3.777 0 40 GHAB O=C(COc1ccc(I)cc1)Nc1ccc(F)c(F)c1 7034761 QVIHEWOKDHXMKR-UHFFFAOYSA-N 389.139 3.587 0 40 GHAB O=c1cc(C(F)(F)F)c2ccc(OS(=O)(=O)c3cccs3)cc2o1 7813851 JXNLGWMZSLGYQM-UHFFFAOYSA-N 376.333 3.641 0 40 GHAB COc1ccc(C2=Nn3c(nnc3-c3ccc(OC)cc3OC)S[C@@H]2C)cc1 32739787 VUZUNFWEOZTLQO-GFCCVEGCSA-N 396.472 3.718 0 40 GHAB O=C(Nc1ccccc1OC(F)F)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 102441575 LLTYJMQWTYOKTB-RCRDTURJSA-N 388.418 3.814 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc3ccccc3oc2=O)c1 15827608 HQZJVVYRQPZCQI-SFHVURJKSA-N 379.412 3.788 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2cc(-c3ccccc3)no2)c1 29871886 UXGLLQGVZAZMJJ-UHFFFAOYSA-N 393.399 3.615 0 40 GHAB Cc1cccc(-c2nnc3s/c(=C\c4ccc(C(C)(C)C)cc4)c(=O)n23)c1 9189345 UCRLPRPSMRTWDP-AQTBWJFISA-N 375.497 3.972 0 40 GHAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(N2CCC(O)CC2)cc1 60628885 IMFYLSUXAMFLPB-UHFFFAOYSA-N 379.382 3.622 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](N3CCC(c4c[nH]c5ccccc45)CC3)C2=O)cc1 103022316 ADEOYSIEEBNDDG-QFIPXVFZSA-N 387.483 3.988 0 40 GHAB CC(C)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 20483521 TYNVMTIYEIJXCS-UHFFFAOYSA-N 386.517 3.988 0 40 GHAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)cc1)C3 20671667 NTZWGFKLZMKUFG-CQSZACIVSA-N 382.489 3.938 0 40 GHAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1 670634 TZAHOVQYAQUBPZ-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB O=C(Cc1ccccc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 779583 ZMHVUYODXSEDER-UHFFFAOYSA-N 398.506 3.732 0 40 GHAB CN(C(=O)COC(=O)c1ccc2ncsc2c1)[C@H]1CCCc2ccccc21 8538314 RJPPBRCBQAOWFY-SFHVURJKSA-N 380.469 3.989 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccccc2F)CC1 12390005 NXPMBAUWLMVBMD-UHFFFAOYSA-N 393.462 3.614 0 40 GHAB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccco2)n2c1nc1ccccc12 20675595 PXBJXMZWWRNUAJ-RBUKOAKNSA-N 395.459 3.935 0 40 GHAB CN(CC(=O)N1CCN(Cc2cccc3ccccc23)CC1)Cc1cccs1 23845595 LBALUWKBPPTOMV-UHFFFAOYSA-N 393.556 3.678 0 40 GHAB C[C@H]1CCCN(C(=O)[C@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)C1 100116021 ACHZRINMTVBHMB-KUMQGJTOSA-N 381.520 3.623 0 40 GHAB COc1ccc(CN2CCCN(C(=O)c3cccc4cccnc34)CC2)cc1 25081564 QUGHEMBRAKIPAJ-UHFFFAOYSA-N 375.472 3.592 0 40 GHAB O=C(NC1CCOCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 106625782 UGFWMRXCDGFSHV-UHFFFAOYSA-N 380.275 3.577 0 40 GHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 12547688 XVJKOKDLTWPKKM-CQSZACIVSA-N 396.516 3.703 0 40 GHAB Cc1nn2c(nc(N3CCN(Cc4cccnc4)CC3)c3ccccc32)c1Cl 12549800 JTXYEZGBNJDJFK-UHFFFAOYSA-N 392.894 3.562 0 40 GHAB O=c1c(Cl)c(N2CCC([C@@H](O)c3ccccc3)CC2)cnn1-c1ccccc1 29413688 PNVHCVJCYBXVEX-NRFANRHFSA-N 395.890 3.836 0 40 GHAB CC(C)N(C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)C1CCCC1 57748851 CAFCAJLNSZDNAU-HSZRJFAPSA-N 397.519 3.555 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(-c2cccnc2)nc2ccccc12 12614641 QETHTTWIKWJAPW-UHFFFAOYSA-N 381.395 3.719 0 40 GHAB Cc1nnc(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)n1C1CC1 10027932 NMFHQWBOYPANSI-UHFFFAOYSA-N 385.474 3.772 0 40 GHAB O=C(CNc1cccc(Br)c1)Nc1ccc(N2CCCC2=O)cc1 12643695 VEZSEUIDLCXLER-UHFFFAOYSA-N 388.265 3.627 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccc(Br)s1)c1nnc2ccccn12 58244757 MTKNNZNQTLXTEK-CYBMUJFWSA-N 379.283 3.680 0 40 GHAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)c1 3339313 VKMDHERPVINKTO-UHFFFAOYSA-N 390.395 3.929 0 40 GHAB CCCn1c(=O)n(CCC(=O)Nc2ccc(F)c(F)c2F)c2ccccc21 12799933 KGRSVALJLUPSJD-UHFFFAOYSA-N 377.366 3.659 0 40 GHAB Cc1ccnc2nc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)nn12 12742570 MMTOYTHGOIJMDQ-UHFFFAOYSA-N 386.440 3.962 0 40 GHAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2nnc(C(C)C)s2)c1 12729273 BOAPLVPFGDOGIR-UHFFFAOYSA-N 388.522 3.920 0 40 GHAB CC(=O)NCC1CCN(C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 48374813 PPWFWVSTWMJGLR-MSOLQXFVSA-N 397.544 3.721 0 40 GHAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3C(C)(C)CC(=O)CC3(C)C)cc2c1C 12807695 CZYWKYIJSWIMCI-UHFFFAOYSA-N 384.476 3.690 0 40 GHAB CN(Cc1ccccc1Cl)C(=O)Cn1c(S)nnc1-c1cccs1 12879514 NKFPJBVTHOUUEA-UHFFFAOYSA-N 378.910 3.607 0 40 GHAB CC(C)CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 3492625 RMNIDEFGVDUTDQ-UHFFFAOYSA-N 381.501 3.640 0 40 GHAB COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1cnc(Cl)s1 12951431 INEFUGFKHZMIIM-XGICHPGQSA-N 382.850 3.708 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(N3CCCC3=O)cc2)c1C 12916611 VWGKZTFQEATONK-UHFFFAOYSA-N 386.517 3.526 0 40 GHAB O=C(CSc1ccccc1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 3537708 KQAHBAZCGDNRGT-GHRIWEEISA-N 398.509 3.631 0 40 GHAB NC(=O)c1cc(SCCC(=O)NCc2ccccc2Cl)nc2ccccc12 13023485 OQKXOUUBNLLSHG-UHFFFAOYSA-N 399.903 3.786 0 40 GHAB CCOc1ccccc1-n1nnnc1SCCOc1ccc(Cl)cc1 7777581 IFSVXTFNUPTOSH-UHFFFAOYSA-N 376.869 3.886 0 40 GHAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3cccc(N)c3)c3ccccc32)cc1 4123135 PXBBGWKRQCKSBB-DEOSSOPVSA-N 386.451 3.585 0 40 GHAB COC(=O)c1[nH]c2ccccc2c1NC(=O)/C=C/c1ccc(OC)c(OC)c1 5047461 KQYZADINDCIYNM-PKNBQFBNSA-N 380.400 3.624 0 40 GHAB Cc1ccc(O[C@@H](C)c2nnc(SCC(=O)NC3CCCCC3)n2C)cc1 13866491 WXTFFFLRGXSYMZ-HNNXBMFYSA-N 388.537 3.805 0 40 GHAB CCOC(=O)CSc1nc(-c2cccc(OC)c2)nc2c1COC(C)(C)C2 5267980 MJSGSCAOTCIGNU-UHFFFAOYSA-N 388.489 3.659 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2O)nnc1[C@@H](C)Oc1ccccc1 13956013 YZDBXSYCOBTGRN-CQSZACIVSA-N 398.488 3.874 0 40 GHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 13997677 XHZUTOFBJOTESL-CQSZACIVSA-N 381.476 3.581 0 40 GHAB Cn1ccs/c1=N\C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 65475586 BMUBAYAFZZIJRZ-LNVKXUELSA-N 391.452 3.755 0 40 GHAB COCCNC(=O)Cc1c(C)c2c(cc(C)c3c(C(C)(C)C)coc32)oc1=O 5347616 CRWYBHKSXNTQEA-UHFFFAOYSA-N 385.460 3.759 0 40 GHAB CCCCNC(=O)NS(=O)(=O)c1cnccc1Sc1ccc(Cl)cc1 6486164 AMYIZBRLCVQELX-UHFFFAOYSA-N 399.925 3.674 0 40 GHAB COc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)cc1OC 4584508 YOVFNGFTVBOLOW-UHFFFAOYSA-N 386.864 3.974 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(O)c2)N1Cc1cccnc1 6744681 LNQNKCVWZUOVJI-QFIPXVFZSA-N 398.422 3.628 0 40 GHAB CCCCNc1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccccc12 6804953 UZTSFUSFESAXHE-UHFFFAOYSA-N 395.488 3.631 0 40 GHAB COc1ccc(CCNC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 4977446 OMHGYYSAXSBCBN-UHFFFAOYSA-N 399.462 3.548 0 40 GHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)CC(C)C)cc1 7141341 FHLXPSWEHBVXDI-OAQYLSRUSA-N 394.471 3.962 0 40 GHAB Cc1ccccc1C(=O)Nc1nc(-c2nnn(-c3cccc(F)c3)c2C)ns1 9638826 PJEQUXJDKOKFDI-UHFFFAOYSA-N 394.435 3.794 0 40 GHAB O=S(=O)(c1ccccc1)n1nc(-c2cccs2)nc1NCc1ccccc1 9667636 OUUYCVABSTUFFK-UHFFFAOYSA-N 396.497 3.856 0 40 GHAB Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc(-c2nnco2)cc1 18961420 TUGFGSRTHVNATQ-UHFFFAOYSA-N 378.432 3.663 0 40 GHAB CC[C@H](C)[C@H](NC(=O)c1sccc1Br)C(=O)OC(C)(C)C 95436593 BTZACHPMKMMCAY-ONGXEEELSA-N 376.316 3.997 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H]1COC2(CCCCCC2)O1 95992183 AAJXLQDTHVGHCZ-LJQANCHMSA-N 383.492 3.685 0 40 GHAB Cc1ccc(C)c(SCC(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)c1 89626338 ZHXPKEDRLQHBLF-HXUWFJFHSA-N 394.500 3.615 0 40 GHAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1OCC(=O)O 409115207 KKDTWKUJRMMBMD-YVLHZVERSA-N 381.428 3.702 0 40 GHAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccccc3Cl)nn1C)C2 32092447 LBIOCYZUCLVOEZ-UHFFFAOYSA-N 383.835 3.914 0 40 GHAB Cc1cc(NC(=O)CCn2c(=O)oc3ccccc32)n(-c2cccc(Cl)c2)n1 32859958 GIGAYSVCEKNJTG-UHFFFAOYSA-N 396.834 3.771 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)c1 35596921 YMEOMMRUFWPPFX-KRWDZBQOSA-N 391.427 3.794 0 40 GHAB CCOc1cc([C@H]2NC[C@H](C(=O)O)S2)ccc1OCc1ccc(F)cc1 408980803 XVLDOBITCQCFJL-MSOLQXFVSA-N 377.437 3.592 0 40 GHAB COCCN(Cc1cc2cc(C)c(C)cc2nc1Cl)C(=O)c1cnccn1 35290945 NKRSHSMIHRZGDQ-UHFFFAOYSA-N 384.867 3.584 0 40 GHAB O=C(c1cc2ccc(Br)cc2[nH]1)N1CCCN(CC2CCC2)CC1 549732091 AZTYYVNZAHIXOB-UHFFFAOYSA-N 390.325 3.878 0 40 GHAB Cc1ccc(NC(=O)c2sc3ncn(C[C@H]4CCCO4)c(=O)c3c2C)c(C)c1 35673355 ZAAABJNWRXGHAA-OAHLLOKOSA-N 397.500 3.815 0 40 GHAB COc1ccccc1CNc1ncnc2c1nnn2Cc1ccccc1Cl 35314944 SPRJFJALUIHPSI-UHFFFAOYSA-N 380.839 3.544 0 40 GHAB COc1ccc(C)cc1NC(=O)CSc1cc(-c2ccccn2)nc(C)n1 49007116 XMHJFKZYINTQBN-UHFFFAOYSA-N 380.473 3.895 0 40 GHAB O=C(CCc1nc(-c2ccccc2Cl)no1)N[C@@H]1CCOc2ccccc21 72390320 KCFRVDLIXCCUCA-MRXNPFEDSA-N 383.835 3.963 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225267429 WOAUZGZSZKQATF-OAHLLOKOSA-N 399.516 3.576 0 40 GHAB CCCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224157555 QYDNEQGNWRURHA-UHFFFAOYSA-N 378.469 3.571 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 224728726 MNJIHLOTQKFNNA-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB CCOc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccccc3)o2)cc1 47080970 PPFVDROZGBIDDV-UHFFFAOYSA-N 394.427 3.626 0 40 GHAB CCC(C)(C)NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 224428551 HIMFHIUXFCANCP-UHFFFAOYSA-N 388.533 3.734 0 40 GHAB CCOCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cn1 225864563 JWJRLQBLCCPNCH-UHFFFAOYSA-N 384.476 3.956 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C 222444534 VELCRTCVWQCHTF-GOSISDBHSA-N 384.545 3.700 0 40 GHAB COC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223459098 QPFZZVUUECRQAR-INIZCTEOSA-N 375.490 3.579 0 40 GHAB CC[C@H](C(=O)N(C)Cc1ccccc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220528762 YPNWYQYVRLMKNE-LJQANCHMSA-N 388.533 3.507 0 40 GHAB COc1ccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1OC 41184728 OPEPKOHHIZEYCB-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44852838 DZYSEYKJUVIBOO-ICSRJNTNSA-N 384.495 3.930 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1 223871242 RLZUCFQPWXFFSW-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 223107073 SWELOQGVMSABTJ-SFHVURJKSA-N 390.936 3.986 0 40 GHAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 96242018 NPLBUKCGZORLDO-KRWDZBQOSA-N 382.529 3.888 0 40 GHAB CS(=O)(=O)c1ccc(OCCN[C@H]2CCc3cc(F)c(Cl)cc32)cc1 527857462 BMPCVVVGYNOUMA-SFHVURJKSA-N 383.872 3.539 0 40 GHAB Cc1nc(-c2c(C)noc2C)cc([C@H]2CCCN2C(=O)c2scnc2C)n1 257281555 OPTVVYWIJLXITI-MRXNPFEDSA-N 383.477 3.799 0 40 GHAB Cn1ccnc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257244410 ILESMGJMZONHJU-OAHLLOKOSA-N 384.867 3.672 0 40 GHAB O=C(Nc1nncn1-c1ccccc1)c1c(F)cc(Br)cc1F 537312856 YKULLLMULQIKRU-UHFFFAOYSA-N 379.164 3.560 0 40 GHAB CCN(C[C@H]1CCCN1CC)C(=O)c1cnc(-c2ccc3c(c2)CCO3)s1 585083126 PKLWGOJNYVBMGX-QGZVFWFLSA-N 385.533 3.691 0 40 GHAB O=C([C@H](c1ccccc1)N1CCc2ccccc21)N1CCC(C2(O)CC2)CC1 652664978 YQSFMWNCPDXPLO-QFIPXVFZSA-N 376.500 3.554 0 40 GHAB Cc1nccc(C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)n1 681707405 DSDHPSNCUODPKW-INIZCTEOSA-N 378.245 3.958 0 40 GHAB Cc1ccncc1CC(=O)N(C[C@@H]1CCCO1)c1ccc(Br)cc1 622788654 JXZDJAMMONXTKC-SFHVURJKSA-N 389.293 3.907 0 40 GHAB CC(C)c1cc(=NC(=O)N2CC(Cc3ccccc3Br)C2)[nH]o1 626409412 JMZVOJAVZRVVSK-UHFFFAOYSA-N 378.270 3.689 0 40 GHAB O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)c1ccc2ncsc2c1 96120374 DPQYTCIIANYVAN-UHFFFAOYSA-N 395.484 3.937 0 40 GHAB O=C(NCCO)c1sc2ccccc2c1[C@H]1CCN(Cc2ccccc2)C1 72352392 JYIKGVRLVJLTHD-KRWDZBQOSA-N 380.513 3.613 0 40 GHAB Cc1csc2c(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)ncnc12 195333706 ISAFNYUNZYTHSG-UHFFFAOYSA-N 379.411 3.740 0 40 GHAB O=C1C[C@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 5045043 YKSYZXPMGHASHL-DUOKCRBOSA-N 386.234 3.953 0 40 GHAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCCC[C@@H]4C)c(=O)c23)s1 5352117 YYNAUQAOESSXPA-LBPRGKRZSA-N 387.530 3.896 0 40 GHAB Cc1cccc(C2(O)CCN(C(=O)c3[nH]nc(-c4ccccc4)c3C)CC2)c1 12116952 ZPIHJFMBCOPUIT-UHFFFAOYSA-N 375.472 3.817 0 40 GHAB C[C@H]1CN(C)CC[C@@H]1CCc1ccc(NC(=O)c2cnn3cccnc23)cc1 12182144 LXRSIIATOJFJAP-WMZOPIPTSA-N 377.492 3.502 0 40 GHAB CCc1nn2c3c(nnc2c1-c1ccc(OC)c(OC)c1)C(=O)CC(C)(C)C3 14607805 LOZWUVWKYRKZIW-UHFFFAOYSA-N 380.448 3.526 0 40 GHAB COc1ccccc1-c1ccc(C[C@]2(C(N)=O)CCN(C(=O)CC(C)C)C2)cc1 19446166 JQPSMPWQAKRVPY-XMMPIXPASA-N 394.515 3.655 0 40 GHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccnc2ccccc12 19822874 OFJZJRDAAXGCDL-UHFFFAOYSA-N 380.444 3.596 0 40 GHAB Cn1cccc1[C@@H](CNC(=O)c1ccc(Br)o1)N1CCCCCC1 11846304 DGFQOMAZQXUFIK-OAHLLOKOSA-N 394.313 3.728 0 40 GHAB O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)NCc1ccccc1 16978667 BSRSDUWWSJSLKM-UHFFFAOYSA-N 386.521 3.846 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cnn(C(C)C)c2)n1 19286806 ZTKOEFBVZKXQIM-HXUWFJFHSA-N 390.491 3.992 0 40 GHAB COc1ccc(-c2[nH]ncc2CNC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 19715066 UVJKMHHWCZVZRJ-UHFFFAOYSA-N 388.427 3.979 0 40 GHAB CC(C)N(C(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(C)C 7065521 UEHVSASBVKHNAY-LBPRGKRZSA-N 393.578 3.989 0 40 GHAB CCc1cc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)ncn1 1888875801 XPJFAWYMOYFXHE-UHFFFAOYSA-N 379.430 3.806 0 40 GHAB CCc1cc(OCC2CCN(c3nccn4nc(C5CC5)cc34)CC2)nnc1C 1888914127 NDVXAJOOEJPNDI-UHFFFAOYSA-N 392.507 3.563 0 40 GHAB Fc1cc(F)c2nc(N3CC[C@@H](COc4cc5c(nn4)CCC5)C3)sc2c1 1888918185 YDEHXFNMEFXVCH-LLVKDONJSA-N 388.443 3.759 0 40 GHAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)Cc2ccccc2Cl)c1 1889201636 SFKJKJLSYBNESO-SJPCQFCGSA-N 379.913 3.543 0 40 GHAB COc1cccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)n1 2037988469 LVKQEAUXQZIBDQ-BEFAXECRSA-N 383.467 3.749 0 40 GHAB COc1ccc2nc(NC(=O)COC(=O)c3cc4ccccc4o3)sc2c1 707616 SIDKBBWNMNELCT-UHFFFAOYSA-N 382.397 3.847 0 40 GHAB Cc1cccc(N2C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 4393673 LTFHTZINTPCJPH-QZTJIDSGSA-N 390.892 3.569 0 40 GHAB O=C(c1ccco1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCCO3 5142257 WNPSCDMNBCAYIA-UHFFFAOYSA-N 393.424 3.903 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@H](COc2ccncc2)C1 1775970822 RVUZIETYBPRIKU-HNNXBMFYSA-N 380.423 3.542 0 40 GHAB COc1ccc(CNC(=O)NCc2cncc(-c3ccsc3)c2)cc1OC 206949329 FIQXBJGRACJSMQ-UHFFFAOYSA-N 383.473 3.827 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)N3CCC(Oc4ccsc4)CC3)CC2=O)cc1C 575621155 YGYJPZFXDQOYDZ-QGZVFWFLSA-N 398.528 3.788 0 40 GHAB C[C@](O)(CNC(=O)c1ccc2nsnc2c1)c1ccc(-c2ccccc2)cc1 77184154 XRWMRNNDNUGYQT-QFIPXVFZSA-N 389.480 3.996 0 40 GHAB COc1cccc([C@@H](CNC(=O)c2cc3cc(OC)ccc3nc2C)N(C)C)c1 40043232 MGYHBGOGCOQYHK-JOCHJYFZSA-N 393.487 3.593 0 40 GHAB CCCc1noc([C@@H](C)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)n1 40071667 WKORQMXVLIRXCO-GFCCVEGCSA-N 384.402 3.507 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)O[C@H](C)C(=O)Nc1ccccc1F 8006302 WRHYOTZXUYUABF-GFCCVEGCSA-N 385.420 3.837 0 40 GHAB Cc1cccc2c1N(C(=O)c1cc(-c3ccc(F)cc3)nc3ncnn13)CCC2 36619339 HYKUNDRHPCZDQD-UHFFFAOYSA-N 387.418 3.832 0 40 GHAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(-c2ccccc2F)o1 8071424 RZZUYWMVIWNJGU-UHFFFAOYSA-N 386.448 3.926 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1-c1ccc(F)cc1)NCc1ccco1 905378 SUPHNULLAZITAU-UHFFFAOYSA-N 398.419 3.668 0 40 GHAB Cc1c(C(=O)NCCC2=CCCCC2)nnn1-c1ccc(Br)cc1 51317968 MOGJXHHHYYQNNS-UHFFFAOYSA-N 389.297 3.959 0 40 GHAB FC(F)Oc1ccccc1-c1nc2c3cnn(-c4ccccc4)c3ncn2n1 2791007 OQABTNNOXDSHIX-UHFFFAOYSA-N 378.342 3.732 0 40 GHAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCN(Cc2cccc(Cl)c2)CC1 20676403 SGWIFXILOMTSIZ-FQEVSTJZSA-N 383.879 3.765 0 40 GHAB CC(=O)c1ccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 8131674 XUVBNEKGZDDTTO-FQEVSTJZSA-N 395.455 3.793 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 4965357 ILNPPEBYSRMAMG-CYNJPOMWSA-N 388.460 3.976 0 40 GHAB O=C(COc1ccccc1Cl)NC(=S)NC12CC3CC(CC(C3)C1)C2 6528766 NAQKSNUULXURKX-UHFFFAOYSA-N 378.925 3.678 0 40 GHAB COc1ccc(COC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1F 6639224 JJEJZUFSXMNOND-UHFFFAOYSA-N 378.396 3.536 0 40 GHAB C=CCc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(OCC)c1OC 6959123 PAUBZKFNPZRAEC-FOWTUZBSSA-N 377.462 3.505 0 40 GHAB Cc1ccc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 7313727 PPAUTHFLMNCFRA-UHFFFAOYSA-N 390.464 3.735 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 7688971 SHIGQPBOBNOHDS-NSHDSACASA-N 393.823 3.550 0 40 GHAB Cc1ccc(-c2nc(CN(C)Cc3ccccc3N3CCOCC3)no2)cc1 32760089 KQSYTZFENIHILL-UHFFFAOYSA-N 378.476 3.514 0 40 GHAB COc1cccc(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1O 32745197 SAEWLBDSXMDPAF-IBGZPJMESA-N 397.452 3.525 0 40 GHAB CCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2F)CC1 57670617 PMXKATAHXCDNCS-NRFANRHFSA-N 394.498 3.524 0 40 GHAB C[C@H]1CCc2[nH]c3c(C(=O)N4CCN(Cc5ccccn5)CC4)cccc3c2C1 32823777 VNRZKEGYABZJGG-KRWDZBQOSA-N 388.515 3.646 0 40 GHAB Cc1cc(Br)ccc1SCC(=O)NCc1ccc2c(c1)OCO2 8181285 STPOPKFTNUNIQK-UHFFFAOYSA-N 394.290 3.895 0 40 GHAB Cc1cc(C)c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 8333451 KRMAREOFLNVWER-CQSZACIVSA-N 380.897 3.571 0 40 GHAB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccc2c(c1)CCC2 8378279 POACLVJYGRUHEV-UHFFFAOYSA-N 389.238 3.717 0 40 GHAB O=c1cc(-c2ccc(Cl)cc2)[nH]c2[nH]n(-c3nc4ccccc4s3)c(=O)c12 10152710 KJKAMUDPZYZEKT-UHFFFAOYSA-N 394.843 3.937 0 40 GHAB C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 10544114 HOLGDQLYFNAQHI-ZIAGYGMSSA-N 393.380 3.781 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)[C@H](C)NC(=O)c3ccccc3)ccc2s1 46476176 UPDHWHIHAGVIQW-ZDUSSCGKSA-N 396.468 3.835 0 40 GHAB Cc1cc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)nc(C)n1 41721765 FXTROGBIWZHZQE-UHFFFAOYSA-N 376.791 3.891 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 23023691 DWPKDSZEWLTHGT-MJGOQNOKSA-N 398.528 3.973 0 40 GHAB CCN(CC)[C@H](C(=O)NCCCn1ccnc1)c1cc(Cl)cc(Cl)c1 89967850 GOKJCOIBBIYEIK-KRWDZBQOSA-N 383.323 3.779 0 40 GHAB Cn1ccnc1COc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1 42710232 LBFFLKHYTAOPLK-UHFFFAOYSA-N 385.807 3.634 0 40 GHAB COC(=O)C1CCN(C(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 59323175 JHGIRSVYAWATOJ-UHFFFAOYSA-N 376.305 3.638 0 40 GHAB CCOc1ccc(-c2nnc(SCCCn3c(=O)[nH]c4ccccc43)o2)cc1 12248263 ZYVFBEVRMBQUBL-UHFFFAOYSA-N 396.472 3.961 0 40 GHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc(CN2CCOCC2)cs1 24633548 MKRCVRZOCGCYLT-UHFFFAOYSA-N 393.512 3.824 0 40 GHAB CCOC(=O)c1cc(NC(=O)N2CCCCCCC2)cc(C(=O)OCC)c1 61332511 GNSVSMFENBBCQU-UHFFFAOYSA-N 376.453 3.838 0 40 GHAB O=C(CCN1CCC[C@H]1C(=O)NCc1ccco1)Nc1cccc2ccccc12 26134690 HSDADUFUCQDMNY-NRFANRHFSA-N 391.471 3.542 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(CN2CCCCC2)cc1 21973045 PRGXNFHIIGLOLG-UHFFFAOYSA-N 380.488 3.650 0 40 GHAB C[C@@H](SCc1ccccc1)C(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1 57995153 MFACXAGPFSGKLY-GDBMZVCRSA-N 389.546 3.642 0 40 GHAB Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 21143476 YEEQBAXATNCTSL-GOSISDBHSA-N 398.528 3.776 0 40 GHAB Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3cnc4c(C)cccn34)C2)cc1 92708845 VAJSRYZMLQQQSZ-LJQANCHMSA-N 391.519 3.985 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)NCc2ccccc2Cn2cccn2)c(C)c1C 10959231 NMXLFGYAXZDPTL-UHFFFAOYSA-N 397.544 3.952 0 40 GHAB O=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1cccc(O)c1 3351459 LQFHSJJQRDJLGS-UHFFFAOYSA-N 375.424 3.778 0 40 GHAB Cc1c(NC(=O)Cc2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C 3360277 XZEJOQIQKKZVAZ-UHFFFAOYSA-N 390.270 3.972 0 40 GHAB CN(C)c1c(Cl)cccc1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl 48304128 IMSSJYWERSBISR-UHFFFAOYSA-N 387.288 3.715 0 40 GHAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccncc3)C2=O)c(C)c1 409374742 YEXLCQJDKIIBGV-MHWRWJLKSA-N 381.457 3.682 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1C 8519613 UBWYZIAOBCZODL-UHFFFAOYSA-N 383.517 3.927 0 40 GHAB C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)c1cccc(Cl)c1 12943467 UKMWNSGBSWBPHP-ZBEGNZNMSA-N 389.860 3.958 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CCn1ccc3c(C)cccc31)CC2 49543553 CGCGVZTWYYKJJE-UHFFFAOYSA-N 378.472 3.942 0 40 GHAB biogenic Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2ccc(C(N)=O)cc2)n1 8852534 ANYROKIRPBJZJJ-UHFFFAOYSA-N 392.484 3.737 0 40 GHAB COCCSc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1 4510447 ALVGAKIQJMTLGH-UHFFFAOYSA-N 394.305 3.601 0 40 GHAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 5450134 KJUMEBBHTTZDJI-SFHVURJKSA-N 393.226 3.689 0 40 GHAB O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)C1 65815522 ULUZCPXMEOXNAM-HKHIRDCPSA-N 380.532 3.505 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1sccc1C 8610053 JTDGQRIVEZLJKQ-QGZVFWFLSA-N 395.488 3.974 0 40 GHAB COc1cc(C(=O)COC(=O)c2ccc(OC(C)C)cc2)cc(OC)c1OC 6651453 PHPPNOMAESVCBN-UHFFFAOYSA-N 388.416 3.539 0 40 GHAB COc1cc(C)c(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1OC 18947375 MVOVUUXSXHHEEK-UHFFFAOYSA-N 381.432 3.942 0 40 GHAB CCCN(CCC)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 4950325 PIPLLOPXAXUCRK-IAGOWNOFSA-N 380.554 3.615 0 40 GHAB O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(Oc2ccccc2)cc1 8735276 OWFBBPCDLMUSBL-UHFFFAOYSA-N 387.395 3.934 0 40 GHAB O=C(Oc1ccc(Cl)cc1Br)c1ccc(Cn2cncn2)cc1 21894344 NDGPKLXBYCJISP-UHFFFAOYSA-N 392.640 3.962 0 40 GHAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 408628509 UJEITJFYPFTXBF-INIZCTEOSA-N 383.517 3.957 0 40 GHAB Cc1coc(-c2ccc(C)c(NC(=O)c3cccc(NS(C)(=O)=O)c3)c2)n1 84187761 RQCVHABQFAZSKE-UHFFFAOYSA-N 385.445 3.582 0 40 GHAB C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cnc(-c2cnn(C)c2)s1 78806391 PSAFBEKBRGEUDL-LLVKDONJSA-N 383.502 3.514 0 40 GHAB CC(C)(Oc1cccc(Cl)c1)C(=O)NC[C@H](CO)Cc1ccc(F)cc1 78994335 LJKKJVYTGSMRPB-OAHLLOKOSA-N 379.859 3.604 0 40 GHAB CCNC(=O)c1cc(NC(=O)c2c(F)ccc(OCC)c2F)nc2ccccc12 95979656 BHGIHWKWWKFKPH-UHFFFAOYSA-N 399.397 3.914 0 40 GHAB O=C1CCCc2cc(S(=O)(=O)N3CCCC[C@@H]3Cc3ccccc3)ccc2N1 508151495 PTMGAOXOZVDLOF-LJQANCHMSA-N 398.528 3.747 0 40 GHAB O=C(c1cc(C2CC2)nc2onc(C3CC3)c12)N1CCN(Cc2ccco2)CC1 36617441 RAOLZUOFJMHTAY-UHFFFAOYSA-N 392.459 3.529 0 40 GHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 35088611 QMIIWQGANXDDCF-OUFMZXHOSA-N 392.559 3.786 0 40 GHAB O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CCN(c2ccccc2F)CC1 72243380 IQHPBNXFIGVMLD-UHFFFAOYSA-N 392.356 3.683 0 40 GHAB CCn1ncc(NC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c1C(F)(F)F 565862043 SZEFQNJXROFKEA-CQSZACIVSA-N 393.413 3.591 0 40 GHAB Cc1nc(C(C)C)ncc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 222574603 RUDWGTSPILDSRJ-UHFFFAOYSA-N 392.425 3.890 0 40 GHAB CC(C)(C)NC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2Cl)CC1 43978694 ZGEATJPCXUYXMQ-UHFFFAOYSA-N 386.323 3.943 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 222444326 VQQLWCNLBQABDU-HNNXBMFYSA-N 390.936 3.904 0 40 GHAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(C)c3)c2c1=O 48989394 PAENPWUATIBPQS-UHFFFAOYSA-N 386.455 3.832 0 40 GHAB COc1ccc(CNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1OC 224531335 JPFUKRLJDATNQL-UHFFFAOYSA-N 382.504 3.541 0 40 GHAB C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccccc2)n1 225929656 WZEVEOABBVHXOE-ZDUSSCGKSA-N 375.929 3.995 0 40 GHAB CN(c1cccc(C(=O)N2CCc3ccccc32)c1)S(=O)(=O)c1ccccc1 222534922 ZHLSJBVMVQPBGT-UHFFFAOYSA-N 392.480 3.715 0 40 GHAB Cc1ccc(NC(=O)[C@H]2C[C@@H]3C=C[C@@H]2C3)cc1S(=O)(=O)N1CCCCCC1 195530879 SECMOGOIAKHRPE-LMMKCTJWSA-N 388.533 3.710 0 40 GHAB O=C(O)[C@H](Cc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 225146073 TUFJJXRGLFHQRE-SFHVURJKSA-N 379.287 3.811 0 40 GHAB O=C(NCc1cccnc1)Nc1cc(Br)ccc1Br 40104720 WVIUVRMXADGHIO-UHFFFAOYSA-N 385.059 3.928 0 40 GHAB O=C(COc1ccc(Cl)cc1)NCc1nc(-c2ccccc2Cl)no1 41153937 FCMCLJKFLGQBEJ-UHFFFAOYSA-N 378.215 3.739 0 40 GHAB CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 222869110 WWWKSWPQBMLOPE-GOSISDBHSA-N 381.432 3.561 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 224165779 YQVZQQJUQSLTIT-QFIPXVFZSA-N 396.531 3.934 0 40 GHAB COc1cccc2sc(N3CC(OC(=O)c4ccc(C(C)=O)cc4)C3)nc12 77200604 WSKZFCMWYSUIAX-UHFFFAOYSA-N 382.441 3.553 0 40 GHAB COc1cc(N(C)C(=O)C(F)(F)F)ccc1-c1cc2ccccc2oc1=O 226280879 BRGCXEGUQFKEFL-UHFFFAOYSA-N 377.318 3.994 0 40 GHAB Cn1cccc1-c1noc(CNC(=O)C2c3ccccc3Oc3ccccc32)n1 225765399 NSYBTUVOMKUWIE-UHFFFAOYSA-N 386.411 3.629 0 40 GHAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccco1)CC2 96037026 CUSXHRIGVHOCBL-UHFFFAOYSA-N 376.504 3.970 0 40 GHAB CCCc1nc(CN2CCC(OC)(c3nc(-c4ccccn4)no3)CC2)cs1 583615952 VWHBWTISOMWOCW-UHFFFAOYSA-N 399.520 3.678 0 40 GHAB CCc1nnsc1C(=O)N1CCC[C@@H](c2ccc(-c3c(C)noc3C)cn2)C1 257240017 HRSKBEIDTGWOSQ-OAHLLOKOSA-N 397.504 3.787 0 40 GHAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCCCCC1)[C@@]1(C2)NC(=O)c2ccccc2N1 253596024 MBKJQAGOJLTKNZ-OPDBOEGZSA-N 381.520 3.767 0 40 GHAB CC(C)(CNC(=O)c1c(F)ccc(SCC2CC2)c1F)[C@]1(O)CCCOC1 620120137 DTAJGVZDRKZYKR-FQEVSTJZSA-N 399.503 3.764 0 40 GHAB COC[C@H](CNC(=O)c1cc(C)n(-c2cnccn2)c1C)c1ccc(Cl)cc1 627622786 XCRCOQCKTNDDIE-KRWDZBQOSA-N 398.894 3.698 0 40 GHAB O=C(NCCn1ccnc1-c1ncccn1)C1(c2ccc(Cl)cc2)CCCC1 96099078 GQYAYDBCPBTKCA-UHFFFAOYSA-N 395.894 3.622 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)cc2NC1=O 57058327 ORJUPNDCZPPNLF-UONOGXRCSA-N 399.491 3.515 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1 676591 CEHMVIUHRTWDKR-UHFFFAOYSA-N 382.489 3.838 0 40 GHAB O=C([C@H]1CCC1(F)F)N1CCCCC[C@@H](Nc2ccc(C(F)(F)F)nn2)C1 1615610853 PBDGPXRCYXUWET-VXGBXAGGSA-N 392.372 3.724 0 40 GHAB COc1cccc(/C=C(/C(=O)OCC(=O)N2CCCCC2)c2ccccc2)c1 3468535 WJWTUMWCKSSKLR-LTGZKZEYSA-N 379.456 3.792 0 40 GHAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(F)c2)no1 5269153 AZOWDCFKIMWCTB-GOSISDBHSA-N 376.343 3.978 0 40 GHAB Cc1nc2ccc(C(=O)NC[C@@H]3CCCN(CCc4ccccc4)C3)cc2[nH]1 12147252 WRECYJLJDMNJEM-IBGZPJMESA-N 376.504 3.556 0 40 GHAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)CN2CCCCCC2)C1 12221094 UXJLDXJRIUVTPS-IBGZPJMESA-N 393.535 3.544 0 40 GHAB C[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccncc2)cc1 12221996 NBHAQDDWJKFJNF-KXBFYZLASA-N 387.487 3.544 0 40 GHAB CC[C@H](C(=O)NCCC1=CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714560 HWVVERJXAHGGQH-GOSISDBHSA-N 398.956 3.891 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1C(F)(F)F 15999535 LETKULARVVALMK-UHFFFAOYSA-N 379.306 3.954 0 40 GHAB Cc1ccc2occ(CN3C[C@@H]4CCCN4C[C@@H]3Cc3ccccc3)c(=O)c2c1 19219845 NUHYRBUQVIZZJC-VXKWHMMOSA-N 388.511 3.993 0 40 GHAB Cc1cc(=O)n(CC(=O)N[C@@H](C)c2nc3ccccc3s2)c2ccccc12 19566489 ZTBXIFYKFOYMMM-AWEZNQCLSA-N 377.469 3.797 0 40 GHAB Cn1cc(CCNC(=O)Cc2ccc3nc(N)sc3c2)c2cc(Cl)ccc21 19654817 BOLZXHTZUBHYTI-UHFFFAOYSA-N 398.919 3.925 0 40 GHAB Cc1cccc(C2(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)CCOCC2)c1 19654823 DAJIVYRPMVNRBF-JOCHJYFZSA-N 394.515 3.646 0 40 GHAB O=C(C1CC1)N1CCC2(CC1)C[C@@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21 12120953 IRENAYAEFJRMGP-QFIPXVFZSA-N 397.906 3.943 0 40 GHAB CCN(C(=O)Cc1ccc(NC(=O)C2(N)CC3(CCC3)C2)cc1)c1ccccc1 659257674 FLWRBDHZEMYGPO-UHFFFAOYSA-N 391.515 3.882 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)Nc1ccccc1F 3454922 PEGORSWNMLZXCY-UHFFFAOYSA-N 384.238 3.642 0 40 GHAB CCC(CC)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C 3481669 JQUWNBVVLDZEAH-UHFFFAOYSA-N 376.526 3.932 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 1888914771 YHFNIFOCMOBZQB-ZIAGYGMSSA-N 385.393 3.616 0 40 GHAB CC(C)CN1C(=O)C2(CCN(Cc3cncn3C)CC2)C[C@H]1Cc1ccccc1 2037846448 YJNFWAQITFLLNX-OAQYLSRUSA-N 394.563 3.502 0 40 GHAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)c3c(C)noc3C)C2)N1C 2037946854 GOABOBCCUGWDPU-MOPGFXCFSA-N 382.508 3.521 0 40 GHAB CCOC(=O)[C@H](C)Sc1nnc(NC(=O)c2ccc3ccccc3c2)s1 4079381 WRKCVCRDKVXLOW-NSHDSACASA-N 387.486 3.987 0 40 GHAB O=C(CCSc1ccccc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 4264367 HZUNQNHOCSGMAK-UHFFFAOYSA-N 383.429 3.629 0 40 GHAB CNC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CC[C@H](C)C2 4326453 DXZZYUREEOPEBR-NSHDSACASA-N 388.489 3.502 0 40 GHAB O=C(CSc1nccn(-c2ccc(F)c(Cl)c2)c1=O)NC1CCCCC1 4852976 XBTKENRBYKTQMZ-UHFFFAOYSA-N 395.887 3.566 0 40 GHAB O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(F)cc1F 5259388 SLIGKRLJKOZQGD-UHFFFAOYSA-N 396.397 3.511 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)N1CCN=C1SCc1cccnc1 6079917 PRLHVJLLKHAQAS-UHFFFAOYSA-N 396.299 3.899 0 40 GHAB O=C(CSc1ccc(-c2cccs2)nn1)N1CCN(c2ccccc2)CC1 6858806 NZZFPXYINKKAAJ-UHFFFAOYSA-N 396.541 3.646 0 40 GHAB Cc1ccc(-n2ccnc(SCC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1 9320459 CIMHXLSETBLUAP-UHFFFAOYSA-N 383.448 3.719 0 40 GHAB COc1ccc([C@@H]2c3cccn3CCN2C(=S)NCc2ccccc2)cc1 4088124 DCGZUTXCPMHGDX-OAQYLSRUSA-N 377.513 3.976 0 40 GHAB Cc1cc(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1Br 4359922 SSTSTIAPXWVOGI-CQSZACIVSA-N 388.265 3.685 0 40 GHAB COC(=O)c1c(NC(=O)c2ccc3c(c2)OCCO3)sc2c1CC[C@H](C)C2 6416679 LPEPCOMRCNSHND-NSHDSACASA-N 387.457 3.683 0 40 GHAB CC(=O)Nc1ccc(NCC(=O)NCc2ccc(F)cc2)c(C(F)(F)F)c1 40061268 URBBDXNWEUYZKP-UHFFFAOYSA-N 383.345 3.531 0 40 GHAB Cc1nnc(NC(=O)Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)s1 40129298 ZZSNUHVHAHWSKA-UHFFFAOYSA-N 395.410 3.849 0 40 GHAB CC(C)(C)CCN1CCN(C(=O)c2cc3c(nc4sccn43)s2)CC1 40157612 OFMYLFBHMIBACJ-UHFFFAOYSA-N 376.551 3.805 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)COC2CCCC2)cc1 40141006 GSHBJYLPOOCGFX-HZPDHXFCSA-N 394.537 3.536 0 40 GHAB COCCCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 30819240 HXQQPQAGMNSMFQ-UHFFFAOYSA-N 385.460 3.858 0 40 GHAB COC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@H]1c1ccc(C)cc1 7990950 DXVDUNPUYPKIQY-INIZCTEOSA-N 399.516 3.831 0 40 GHAB COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nc(NC(C)=O)nc3N2)cc1 2409637 CVEITRZQNJZSPD-QZTJIDSGSA-N 381.411 3.531 0 40 GHAB CCn1c(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)nc2ccccc2c1=O 31689988 ITWVAOJIIQXXKJ-UHFFFAOYSA-N 398.875 3.599 0 40 GHAB CCOC(=O)[C@H]1CCCN(c2cc(C)nc3cc(-c4ccc(F)cc4)nn23)C1 1340705 IQLDQCZQUPNOTH-INIZCTEOSA-N 382.439 3.623 0 40 GHAB O=C(O)CC[C@@]1(C(=O)O)NC[C@H](c2ccccc2Cl)c2c1[nH]c1ccccc21 2661562 FWJAXMZGUCUFFB-SPLOXXLWSA-N 398.846 3.701 0 40 GHAB COc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCCCC2)c(OC)c1 3895760 ZARPEQYTDNJSHL-GOSISDBHSA-N 376.497 3.754 0 40 GHAB COCCCN(C(=O)C1CC1)c1nc(-c2cc(OC)ccc2OC)cs1 4186942 RVFYNIHZLOLLRQ-UHFFFAOYSA-N 376.478 3.607 0 40 GHAB CC(C)CN1CCC(Nc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC1 51650251 CVPNJFRCOSOPTE-UHFFFAOYSA-N 396.869 3.696 0 40 GHAB O[C@@H](c1ccc(Br)cc1)[C@@H](CN1CCOCC1)c1ccccc1 20792214 RLTKQSKRESYILF-OALUTQOASA-N 376.294 3.599 0 40 GHAB CCOC(=O)CSc1nnc2c3c4c(sc3nc(CC)n12)C[C@H](C)CC4 4848058 JZOLOYLCPYSSMU-SNVBAGLBSA-N 390.534 3.681 0 40 GHAB Cn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccncc1 6137801 YOLXMSXMIRCGAP-UHFFFAOYSA-N 384.852 3.873 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCN(c3nc4ccccc4s3)CC2)c(C)c1 59644185 WGNBQLMZTFMWQL-UHFFFAOYSA-N 394.544 3.982 0 40 GHAB CC(C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 6427226 ZMQYMBSJUXONNW-QGZVFWFLSA-N 396.487 3.831 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(F)cc1F 7968386 ZQRQDUIHFFGSSB-UHFFFAOYSA-N 394.443 3.700 0 40 GHAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccccc4F)c3)nn12 10010203 KZOQSVLRNKKJRM-UHFFFAOYSA-N 397.435 3.815 0 40 GHAB COc1ccc([C@@H]2CCCN2[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 10220086 BGAXKRSESCBXSC-VQTJNVASSA-N 398.890 3.813 0 40 GHAB O=C(NCCc1ccc(F)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 8033523 HPBQNYXIWNTEFN-UHFFFAOYSA-N 398.459 3.599 0 40 GHAB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C)cc1C 8417341 ZURQAVGLFYRDPA-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 102680776 XOLVWCSAOKQGPM-IEGACIPQSA-N 386.234 3.953 0 40 GHAB O=C(CSc1ccc2c(c1)OCCO2)Nc1nc2c(s1)CCCCC2 32885729 MVUPWVLMCIVTED-UHFFFAOYSA-N 376.503 3.914 0 40 GHAB CC(C)[C@@H](NC(=O)/C=C/c1cc(Br)ccc1F)c1nccn1C 32931731 QQPFXMSJHCAJOZ-IEXSPKMKSA-N 380.261 3.848 0 40 GHAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 52410568 YAJWLDBFNPFTPJ-UHFFFAOYSA-N 392.839 3.967 0 40 GHAB COc1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1NS(C)(=O)=O 29968176 CRCNQONUAHBOFT-UHFFFAOYSA-N 389.260 3.626 0 40 GHAB Cn1c(SCC(=O)Nc2ccnn2C2CCCC2)nnc1-c1ccccc1 8187052 ZSOANLXCSWGVSP-UHFFFAOYSA-N 382.493 3.525 0 40 GHAB CC(=O)Nc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c(C(F)(F)F)c1 104726712 NSFOGWWEFQECBJ-NYYJTOMGSA-N 396.409 3.934 0 40 GHAB O=C(CSc1nnc(-c2cccs2)o1)NCc1ccc(F)cc1Cl 51319211 BRQDQRHRRSFLIU-UHFFFAOYSA-N 383.857 3.999 0 40 GHAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1 106702976 ZXHGSEGQIDUIGT-ATVHPVEESA-N 382.441 3.760 0 40 GHAB C[C@H](NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 24828977 JVTITTFEAPWZAA-YQVWRLOYSA-N 397.494 3.742 0 40 GHAB O=c1oc(-c2cccs2)nn1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 25058751 JOROANHKYFBTRU-QGZVFWFLSA-N 394.452 3.672 0 40 GHAB Cn1cc(Cl)cc1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 25339448 IGMLSBNAUYPJCX-UHFFFAOYSA-N 381.185 3.588 0 40 GHAB COc1cc(NC(=O)Cc2ccccc2C)ccc1NC(=O)c1cccnc1 26237719 STSUCVIKLZHESQ-UHFFFAOYSA-N 375.428 3.832 0 40 GHAB CCc1cc(=O)n(CC(=O)NCc2ccc(C)cc2)c(-c2cccc(Cl)c2)n1 57527567 NTTGWPOVLPTQCA-UHFFFAOYSA-N 395.890 3.751 0 40 GHAB Cc1cccc(Nc2nnc(SCc3ccco3)n(-n3cccc3)c2=O)c1 28536224 BAUWOZPAJCEYJJ-UHFFFAOYSA-N 379.445 3.689 0 40 GHAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 21356255 NFSNXYUCFLOPJS-LLVKDONJSA-N 378.222 3.642 0 40 GHAB COc1ccc(CC(=O)Nc2ccnc(Sc3ccccn3)c2)c(OC)c1 58163006 SJNYJMPBAGZVRN-UHFFFAOYSA-N 381.457 3.826 0 40 GHAB CCCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccc(F)cc1 10537106 RQRUDZSVWHXQFO-UHFFFAOYSA-N 389.452 3.785 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2cccc(NC(=O)C3CC3)c2)c1C 10668419 XZQUQUTYDPCVIR-UHFFFAOYSA-N 386.517 3.747 0 40 GHAB O=c1[nH]nc(SCc2ccccc2Br)n1Cc1ccccc1 16803297 ZZKPIHZQLMNTHF-UHFFFAOYSA-N 376.279 3.675 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c(C)c1 3365329 CPNJXHWVABQOQN-GOSISDBHSA-N 383.469 3.841 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cc2c[nH]c3ccccc23)c1 12780642 AWKBUGOTMSSZLF-UHFFFAOYSA-N 399.516 3.688 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC(C(=O)NCc2ccccc2)CC1 12776933 ZNYBYAIFQAOGNH-MRXNPFEDSA-N 399.922 3.695 0 40 GHAB COC(=O)c1cn(CC(=O)N[C@H](C)Cc2cccc(Cl)c2)c2ccccc12 48310301 CRVIVKQTHYHXAD-CQSZACIVSA-N 384.863 3.829 0 40 GHAB COc1cc([C@H](C)NC(=O)Nc2cc(C)on2)ccc1OCc1ccncc1 48354290 CITFMTYDPSFBBO-AWEZNQCLSA-N 382.420 3.848 0 40 GHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cc2ccccc2)c1 3473604 VVRDIAHOUBKUNL-UHFFFAOYSA-N 394.496 3.780 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O 3469053 GYBRWFSDUABDNJ-UHFFFAOYSA-N 393.512 3.845 0 40 GHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1cccc(F)c1 12988317 DMSJVGVPEXHIPX-UHFFFAOYSA-N 385.445 3.964 0 40 GHAB COc1ccc(-c2cc3c(SCC(=O)NC4CCCCC4)nccn3n2)cc1 16954656 SINKKDDDAYVGJM-UHFFFAOYSA-N 396.516 3.946 0 40 GHAB CCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(C)o4)c(=O)n3n2)cc1 3649081 VGDDMCPNBNHLDK-AQTBWJFISA-N 395.484 3.836 0 40 GHAB COC(=O)[C@@H]1CN(C(=O)Cc2c(Cl)cccc2Cl)c2ccccc2O1 13001301 FTJNNDAURXQYPY-INIZCTEOSA-N 380.227 3.503 0 40 GHAB O=C(C[C@@H]1CCCO1)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 62916626 ODCFMHXPPMWIGY-SFHVURJKSA-N 384.863 3.937 0 40 GHAB CCCCN1C(=O)S/C(=C\c2cc(Br)c(O)c(OC)c2)C1=O 409065934 GKIRXHRWODSWFZ-WQLSENKSSA-N 386.267 4.000 0 40 GHAB CSCC[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1C(=O)c2ccccc2C1=O 6236299 BDUDQNDTMHJSQY-IBGZPJMESA-N 394.496 3.532 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1c2ccccc2Oc2ccccc21 5263077 WHSVQNWLQBCHBI-UHFFFAOYSA-N 397.434 3.819 0 40 GHAB Cc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(C)cc3)n2)cc1 13957831 JHRWVUJOPKXPBU-UHFFFAOYSA-N 385.489 3.953 0 40 GHAB Cc1ccc(F)cc1NC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2 14015805 MCZJSFYISKPQTQ-UHFFFAOYSA-N 381.407 3.948 0 40 GHAB CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 6657463 HHZKBGVHKUCWMF-KDOFPFPSSA-N 379.464 3.586 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)N2CCCC2)c1 5636361 OHJUJXNURFIBLH-UHFFFAOYSA-N 397.500 3.524 0 40 GHAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Br)c2)N3)C1 6732669 SECUJRDOEQFHJM-CQSZACIVSA-N 378.295 3.927 0 40 GHAB O=C(Nc1ccccc1C(=O)NCCOc1ccc(Cl)cc1)c1ccco1 7246064 PWKYWXKROLMOKC-UHFFFAOYSA-N 384.819 3.994 0 40 GHAB COc1cccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c1 15679401 NRJUYFYUTKQALH-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB CCCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(CC)cc3)CC2=O)cc1 408706760 DFZODOJLJSMKRA-IBGZPJMESA-N 380.488 3.707 0 40 GHAB O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)[C@@H]1COCCO1 68436602 ZWSPKDHFIAIUOT-INIZCTEOSA-N 385.313 3.991 0 40 GHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(C)c3C)c2C)c(C)c1 71327161 GXHQOZPHEDTBOK-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)CCc1cnn(C)c1 28244640 YHGRXCBHGBGZOS-UHFFFAOYSA-N 389.862 3.646 0 40 GHAB CC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 9512192 ZZSJTOGQGUXCFJ-LJQANCHMSA-N 380.444 3.784 0 40 GHAB O=C1C[C@@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N2NC=NC2=N1 409377355 GVLYUBRHNYLBSC-INIZCTEOSA-N 389.242 3.748 0 40 GHAB O=c1[nH]cccc1[C@H]1SCC(O)=Nc2c1cnn2-c1ccc(Cl)cc1F 95478299 SQFVRWKPSJAKEK-OAHLLOKOSA-N 390.827 3.777 0 40 GHAB CC[C@@H](NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O)c1ccccc1 113967241 KPYCBDQTJZNDTO-LJQANCHMSA-N 388.533 3.809 0 40 GHAB CN(C)CC[C@@H](NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C 95442933 VTZWVAQROSQJEV-DLBZAZTESA-N 383.577 3.506 0 40 GHAB COc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)n1 95964441 VCIVKCRNQXXBDT-UHFFFAOYSA-N 391.456 3.867 0 40 GHAB COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(C(=O)C4CC4)C3)nn2c1 306137520 QYTWDUQWZQPNFL-MRXNPFEDSA-N 394.450 3.660 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2c(C)c3ccccc3oc2=O)N2CCCC2)o1 79021783 LFNOKDIILIWTNE-KRWDZBQOSA-N 380.444 3.570 0 40 GHAB COC(=O)[C@H](CC(C)C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 9969951 SEIGCUKRCGAICO-FQEVSTJZSA-N 391.471 3.857 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900142 LPIWIGCARUBDPZ-NRFANRHFSA-N 393.462 3.646 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 408623848 ZTEWDLMMIFYVLQ-MRXNPFEDSA-N 390.505 3.575 0 40 GHAB Cc1cc(C)cc(OCC(=O)N2N=C3CCCCC[C@@H]3[C@]2(O)C(F)(F)F)c1 408949753 FZBBYHNEKBPJCP-YJBOKZPZSA-N 384.398 3.712 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2CN(Cc3ccccn3)C[C@H]21 306126189 DPCNZDCLKRZQAY-RBBKRZOGSA-N 394.471 3.643 0 40 GHAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)cc1 408628031 PQYSTWHLNIQJFI-UHFFFAOYSA-N 385.489 3.725 0 40 GHAB O=C1C[C@H]2N(CC3CC3)CC[C@@]2(c2ccccc2)CCN1Cc1ccccn1 306128893 HNTYLAAEHVELCQ-VWNXMTODSA-N 375.516 3.626 0 40 GHAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1ccc(F)c(Cl)c1 70636135 HZGYREVROQQFHS-GOSISDBHSA-N 379.840 3.644 0 40 GHAB COCCOc1cc(-c2noc([C@@H]3CCCN3Cc3ccc(C)cc3)n2)ccn1 35424820 PPUGKUPAQNVMIP-IBGZPJMESA-N 394.475 3.802 0 40 GHAB biogenic,in-vitro O=S(=O)(Nc1cccnc1)c1ccc(NC(=S)Nc2ccccc2)cc1 44902489 CUQNAMUIVJHDBX-UHFFFAOYSA-N 384.486 3.691 0 40 GHAB CC(C)CN1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 72216465 ZRJYWSBOHHBXKS-LJQANCHMSA-N 388.556 3.932 0 40 GHAB CCOc1ccc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224659800 KQHNUVWAVYPXSZ-UHFFFAOYSA-N 388.533 3.550 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)c1 224828316 GNRABOZJACTRSP-RBUKOAKNSA-N 380.473 3.604 0 40 GHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cn1 222863134 GQOJDXXXDCBQIQ-UXHICEINSA-N 377.517 3.958 0 40 GHAB Cc1ccc(N(CC(=O)O)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C 224928130 UTSDKWPZFBITJB-UHFFFAOYSA-N 388.272 3.890 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C 224366982 VKMJLHNUTMYRHT-UHFFFAOYSA-N 395.893 3.976 0 40 GHAB O=C(COc1ccc(Cl)cc1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225738038 MFHKONPBMNPPJY-GOSISDBHSA-N 382.847 3.947 0 40 GHAB COc1cc(/C=C/C(=O)NCc2ccnc(-c3ccco3)c2)cc(OC)c1OC 225656531 PTTQVEPWYXXAJO-VOTSOKGWSA-N 394.427 3.697 0 40 GHAB Cc1ccc2c(Nc3ccc(S(C)(=O)=O)cc3)c(C(=O)OC(C)C)cnc2n1 49004522 WLQFDKABSQPRPL-UHFFFAOYSA-N 399.472 3.651 0 40 GHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1cccc(Cl)c1 40056969 ARGJUHSTAOFXQL-WEKMIXOTSA-N 377.893 3.976 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c(C)c1C 225062343 RDSOINQDPIIXRO-UHFFFAOYSA-N 388.489 3.548 0 40 GHAB CC(C)n1cnc2c1[C@@H](C(=O)NCc1cccs1)N(Cc1ccccc1)CC2 96265012 JBPJBZPLIIMXOZ-NRFANRHFSA-N 394.544 3.941 0 40 GHAB O=C(c1cccc(O)n1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257298593 RMJYNUZJQJRFHX-QGZVFWFLSA-N 383.835 3.997 0 40 GHAB CO[C@@H]1CN(CC(=O)N2c3ccccc3Sc3ccccc32)C[C@]12CCCO2 257326435 WXENVZJDTYLADZ-IFMALSPDSA-N 396.512 3.696 0 40 GHAB O=C(O)c1cnc(NCCOc2cccc(F)c2)nc1CCc1ccc(F)cc1 257299905 RSCWZXICOBYYHY-UHFFFAOYSA-N 399.397 3.729 0 40 GHAB CC[C@H](O)Cn1nc(-c2cc(CC(=O)O)ccc2OC)cc1-c1ccc(F)cc1 257234704 GUTUQIRPABUXBY-KRWDZBQOSA-N 398.434 3.763 0 40 GHAB CCS(=O)(=O)N(C)c1cccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1 260822829 AWJLSYCCUTWXGF-CYBMUJFWSA-N 380.897 3.617 0 40 GHAB C[C@H](NC(=O)N=c1[nH]nc([C@H]2CCCO2)s1)c1cccc(C(F)(F)F)c1 640740374 SJRLQQQJEMWSKU-JOYOIKCWSA-N 386.399 3.713 0 40 GHAB CC[C@H](NC(=O)Nc1ccnn1[C@H](C)CC(C)C)C(=O)NCc1cccs1 646354829 RAADSDQMIDTBDH-ZBFHGGJFSA-N 391.541 3.768 0 40 GHAB CCN1C(=O)Cc2cc(NC(=O)CCc3ccccc3Br)ccc21 96103541 BKBLXARKNURGJO-UHFFFAOYSA-N 387.277 3.929 0 40 GHAB Cc1cc(OC2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)nc(C)n1 390826102 BRLGIOCEZFRQQN-UHFFFAOYSA-N 376.460 3.568 0 40 GHAB Cc1cc(C)c2sc(NC(=O)CCc3nc4ccccc4[nH]c3=O)nc2c1 584906163 XWIMDFGJXRFWCZ-UHFFFAOYSA-N 378.457 3.721 0 40 GHAB CC(C)C[C@@H](O)C(=O)N1CCC[C@]2(CCCN2Cc2cccc(F)c2)CC1 585100801 WYQOAOGINDSTOL-IRLDBZIGSA-N 376.516 3.580 0 40 GHAB CCOC(=O)c1sc2nc([C@@H](C)N(C)Cc3ccc(C)cc3)[nH]c(=O)c2c1C 57406509 IHNUCJRHBUJGEU-CQSZACIVSA-N 399.516 3.971 0 40 GHAB Cc1c(Br)c2ccccc2n1CC(=O)NCc1ccccc1CO 66049140 QJCDYCIZIFOMGQ-UHFFFAOYSA-N 387.277 3.521 0 40 GHAB O=C(NCc1cn(C(F)F)c2ccccc12)N[C@H]1CCc2ccccc2NC1=O 1252499362 AQOJJLGBUUAOLX-KRWDZBQOSA-N 398.413 3.789 0 40 GHAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(Br)o2)c1C 5506933 IJSCDDATIZZLGY-LLVKDONJSA-N 398.253 3.708 0 40 GHAB O=C(c1cnn(-c2ccc(F)cc2)c1)N1CCC(OCc2ccccc2)CC1 12206114 JZZNVAGRJDFPPP-UHFFFAOYSA-N 379.435 3.833 0 40 GHAB O=C(Cn1cnc2sccc2c1=O)Nc1nc2c(ccc3ccccc32)s1 14505560 AESYKVZAHHLFLA-UHFFFAOYSA-N 392.465 3.860 0 40 GHAB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3)S2)cc1 16440229 SQKSDCMFEIQICG-XMHGGMMESA-N 395.484 3.614 0 40 GHAB CC(C)c1nc(N2CCC(NC(=O)C3CCCC3)CC2)ncc1-c1ccncc1 19451589 DZMNFCRALRBKOI-UHFFFAOYSA-N 393.535 3.937 0 40 GHAB CN(C)c1cccc(C(=O)N2CCCC[C@H]3NCC[C@H](c4ccccc4)[C@H]32)c1 19585053 HADBZMOUMGVRKL-DNVJHFABSA-N 377.532 3.893 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2nc3ccccc3s2)CC1 4965333 YCSWXXMLJKHTTR-UHFFFAOYSA-N 395.484 3.558 0 40 GHAB Cc1nn(C)c(Cl)c1/C=C/C(=O)OCc1cc(Cl)cc2c1OCOC2 11981079 BSFYJUQZLKDXHG-ONEGZZNKSA-N 383.231 3.658 0 40 GHAB CCCOc1c(Cl)cc(C(=O)Nc2nnc(C(F)(F)F)[nH]2)cc1OCC 29388554 UMHIGCGIWXKBNF-UHFFFAOYSA-N 392.765 3.917 0 40 GHAB O=C(c1ccccc1C(F)(F)F)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037913029 LYCTVYRMDSHFCI-IBGZPJMESA-N 397.368 3.891 0 40 GHAB c1ccc2nc(N3CCC(COc4cc5c(nn4)CCCC5)CC3)cnc2c1 1565523312 KCVRXUOZTMPYAQ-UHFFFAOYSA-N 375.476 3.594 0 40 GHAB COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccnc2)cc1OC 4329809 ZSGVRDCGHFQDDK-FQEVSTJZSA-N 378.432 3.537 0 40 GHAB COc1ccc(S(=O)(=O)c2cc3cc(C(C)(C)C)cc(O)c3oc2=O)cc1 4484177 CPZANCOAKGZBOI-UHFFFAOYSA-N 388.441 3.638 0 40 GHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)o2)cc1C 10253732 CEDZBGVRDSVZPV-UHFFFAOYSA-N 399.472 3.788 0 40 GHAB CCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3cc(F)ccc3C)cc12 15780231 VHODGBLQKFCPPU-UHFFFAOYSA-N 398.390 3.649 0 40 GHAB CN(Cc1ccncc1)[C@@H]1CCC[C@H]2CN(C(=O)/C=C/c3cccs3)C[C@@H]21 2055746552 ZRJXGUOWVBTNIY-BWSKIKPJSA-N 381.545 3.915 0 40 GHAB O=C1C[C@@H](N2CCC(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 18220217 JAPZYWROOIPVIC-LJQANCHMSA-N 386.854 3.991 0 40 GHAB CC(C)CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 40143293 BZVJXDJGRUEGTK-UHFFFAOYSA-N 379.254 3.609 0 40 GHAB C[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105928 LSDXQKSALFOBNF-LBPRGKRZSA-N 386.300 3.960 0 40 GHAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(OC)c(O)c2)c(OC)c1 40287086 UECMVGYWRXGXMC-AWEZNQCLSA-N 395.415 3.727 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1 17268748 DGRFJWWYYAFBPA-CYBMUJFWSA-N 396.516 3.733 0 40 GHAB Cc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1Cc1ccco1 1355814 RNDRUEOHPFSIRN-UHFFFAOYSA-N 396.394 3.977 0 40 GHAB Cc1ccccc1OCc1nc2c3c4c(sc3nc(C)n2n1)CN(C)CC4 20548599 AWCXKFWQCAEHAR-UHFFFAOYSA-N 379.489 3.523 0 40 GHAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccco1 4568667 XIFIYSNKAKFAHI-UHFFFAOYSA-N 392.868 3.951 0 40 GHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 4994612 MRXSHMNNKVMOCU-BMGDILEWSA-N 382.526 3.946 0 40 GHAB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(C)=O)cc3n2)cc1 6264770 MYLKPIITOFYKBH-UHFFFAOYSA-N 381.505 3.904 0 40 GHAB Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)c(C)s2)no1 6680200 AGHIZYSCJBQMIG-UHFFFAOYSA-N 395.437 3.545 0 40 GHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2SC)cc1 6880365 HTZPYIBNVDGDHN-UHFFFAOYSA-N 392.546 3.668 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2C)cc1 10112548 YFHBGKGPLVYYRB-MRXNPFEDSA-N 386.517 3.976 0 40 GHAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCC1(c2ccccc2)CCC1 10221784 JIOBDCCXGREZJJ-JOCHJYFZSA-N 378.516 3.608 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccccc1CN1CCCC1 8011857 SKBXXKOKXQVJOE-UHFFFAOYSA-N 392.421 3.996 0 40 GHAB CN1C[C@H](C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1=O 83877347 GZQLCXKGMSDGTR-RHSMWYFYSA-N 395.890 3.548 0 40 GHAB CCCCCNC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 10333198 FEXYCHMHGBATJI-UHFFFAOYSA-N 388.533 3.881 0 40 GHAB CC[C@@H](C)c1ccc(NC(=O)[C@H](C)Sc2nnc(C(C)(C)C)n2N)cc1 21740742 UFMONRIALDDLEY-OLZOCXBDSA-N 375.542 3.922 0 40 GHAB CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(N)[nH]c(=O)c32)cc1 102667941 BIAXNYSMTPMMLF-HNNXBMFYSA-N 380.448 3.601 0 40 GHAB Cc1sc2ncn(Cc3cccc(C(=O)N4CCCCC4)c3)c(=O)c2c1C 58167901 JKMUZNMOJOJSEL-UHFFFAOYSA-N 381.501 3.749 0 40 GHAB COC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc2c1CC[C@H](C)C2 643688 SBLAEBGGPOVQSC-NSHDSACASA-N 389.473 3.929 0 40 GHAB O=c1c2ccccc2c(-c2cccs2)nn1C[C@H](O)COc1ccc(F)cc1 22869430 WVSCLMITBGNSGP-HNNXBMFYSA-N 396.443 3.704 0 40 GHAB O=C(NCc1noc(-c2ccco2)n1)c1cccc(NC(=O)c2cccs2)c1 58215661 GHBNHFZLVPSTTE-UHFFFAOYSA-N 394.412 3.573 0 40 GHAB Cc1ccc2nc(CN3CCC[C@H](c4nc5ccccc5s4)C3)cc(=O)n2c1 23805268 DNWDXQMKSOZODM-INIZCTEOSA-N 390.512 3.992 0 40 GHAB CN(C(=O)c1cccc(I)c1)c1nc2ccccc2o1 24928812 KGESAADCFHZJBG-UHFFFAOYSA-N 378.169 3.709 0 40 GHAB Cc1noc(-c2ccc(C(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2)n1 55945646 CTENCGFRRZLIAT-OALUTQOASA-N 381.407 3.834 0 40 GHAB Cc1ccccc1SCC(=O)N1CCCN(C)c2nc3ccccc3nc21 26366297 DOTJERHHZHHPLA-UHFFFAOYSA-N 378.501 3.903 0 40 GHAB CN(C)[C@@H](CNC(=O)COC(c1ccccc1)c1ccccc1)c1ccco1 44515350 HCZPIRCFSDIGJY-FQEVSTJZSA-N 378.472 3.805 0 40 GHAB O=C(NCc1nncn1-c1ccccc1)c1cc2c(Cl)c(Cl)ccc2[nH]1 48115990 NQHNZMZVBHRNRJ-UHFFFAOYSA-N 386.242 3.985 0 40 GHAB CCOc1ccc2nc(NC(=O)CSc3nnc(C)n3C3CC3)sc2c1 10028437 RLOPOTBFCXBAIV-UHFFFAOYSA-N 389.506 3.661 0 40 GHAB CCOC(=O)c1c(NC(=O)COc2cccc3c2CCC3=O)sc(C)c1C 10197912 MTANHIXJMPOFLE-UHFFFAOYSA-N 387.457 3.688 0 40 GHAB COc1cc(CN(C)CC(=O)NCc2ccccc2Cl)ccc1OC(F)F 3393640 AFCRTQSTXBVKSQ-UHFFFAOYSA-N 398.837 3.698 0 40 GHAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OCC(C)C)cc1 2153959 CQFGQETYKTYKND-NRFANRHFSA-N 394.471 3.717 0 40 GHAB biogenic COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)cc2)c1 2258166 ILZOJFCSXKNHGT-UHFFFAOYSA-N 389.835 3.884 0 40 GHAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cccnc1N1CCCC1 12772858 LXHUZASGPLVYRS-UHFFFAOYSA-N 390.439 3.634 0 40 GHAB CSc1nc(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c2ccccn12 62270605 HWFUAEZTYKYREK-IRXDYDNUSA-N 385.464 3.845 0 40 GHAB COc1ccc(C(=O)NCc2cc(F)ccc2Br)c(OC)c1OC 48362901 PWBMVEFYHKFNSH-UHFFFAOYSA-N 398.228 3.544 0 40 GHAB O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc(Cl)cn1 3495509 YCRKXIHUOQWBNZ-UHFFFAOYSA-N 375.866 3.723 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NCc2ccccc2Cl)c1 17524663 FIENZNHTGCJGRM-UHFFFAOYSA-N 382.913 3.991 0 40 GHAB Fc1ccc(OCc2noc(CSc3nnc(C4CC4)n3C3CC3)n2)cc1 13002299 UWOUAHQSCIBWQE-UHFFFAOYSA-N 387.440 3.884 0 40 GHAB O=C(CSc1nccn2nc(-c3ccccc3)cc12)NCc1ccc(F)cc1 17191753 ULLIICCTUQXYEK-UHFFFAOYSA-N 392.459 3.944 0 40 GHAB Cc1cccc(C)c1-n1nnnc1C1(Nc2cccc(C(=O)O)c2)CCCC1 4043043 WEJABYGOYBXPLK-UHFFFAOYSA-N 377.448 3.859 0 40 GHAB CC(=O)N(c1nc(CSc2nnnn2C2CC2)cs1)c1ccccc1F 8404585 OKARIZIUWGFEJC-UHFFFAOYSA-N 390.469 3.581 0 40 GHAB C[C@H](N[C@@H](CC(=O)c1ccc(Br)cc1)C(=O)O)c1ccccc1 4118513 PBAINNIDDTZARI-LRDDRELGSA-N 376.250 3.826 0 40 GHAB NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)C[C@H]2c2cccc(F)c2)cc1 4317056 AOUHEBALMWXJRC-NRFANRHFSA-N 395.459 3.829 0 40 GHAB CN1CCN(Cc2cccc(-c3cc(C(F)(F)F)cc(N(C)C)n3)c2)CC1 91695373 HAHBOIITRTWZIZ-UHFFFAOYSA-N 378.442 3.581 0 40 GHAB C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(-n2cncn2)cc1 5245757 XURFWYSAICEAOZ-GFCCVEGCSA-N 391.258 3.830 0 40 GHAB O=C(NCCc1cc(F)cc(F)c1)c1cnn2c(-c3ccccc3)ccnc12 65477206 QHOPDDRZVANDFM-UHFFFAOYSA-N 378.382 3.647 0 40 GHAB O=C(CN1CCc2sccc2C1)N1CCn2cccc2[C@@H]1c1ccccc1 70448166 CTQDYCYBTUSWJB-QFIPXVFZSA-N 377.513 3.540 0 40 GHAB COc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)cc2)c1 4525260 LTTABOIVTMEXPW-PMACEKPBSA-N 390.439 3.793 0 40 GHAB C/C(=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 4696203 XZJUSDFBDZMSOU-MSUUIHNZSA-N 384.501 3.903 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 6811768 JKTIARLOIYUJHL-IAGOWNOFSA-N 399.907 3.892 0 40 GHAB O=C1c2ccccc2C(=O)N1CCSc1nnc(NCc2ccccc2)s1 4997377 IMZRGVWSLUGRTF-UHFFFAOYSA-N 396.497 3.539 0 40 GHAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 7125737 QJFPXRVOXGVFOO-OAQYLSRUSA-N 399.878 3.698 0 40 GHAB C[C@@H]1CC[C@H]2[C@H](CCCN2C(=O)Cc2csc(NC(=O)c3ccco3)n2)C1 67517439 DZVZGQDGCAWLLX-FMKPAKJESA-N 387.505 3.958 0 40 GHAB COc1cc(-c2nnc(SCc3nccn3C(F)F)o2)cc(OC)c1OC 8778767 SNNNXLSWZYNEHX-UHFFFAOYSA-N 398.391 3.646 0 40 GHAB NC(=O)N[C@H](CC(=O)NCc1cccs1)c1cccc(Oc2ccccc2)c1 7986019 JTRPTZSFQGMRCH-LJQANCHMSA-N 395.484 3.956 0 40 GHAB Cn1ccnc1SCCNC(=O)c1ccc(-c2nc3ccccc3s2)o1 8136057 CIMZSTUZVUTIFP-UHFFFAOYSA-N 384.486 3.812 0 40 GHAB Cc1ccc(OCC(=O)N2N=C3CC[C@H](C)C[C@H]3[C@@]2(O)C(F)(F)F)cc1C 20034276 RVELVPCPWJMFKN-BKGUAONASA-N 384.398 3.568 0 40 GHAB COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](O)c3cc(F)ccc32)c1 96006749 FBDXGBFRLSPVLF-INIZCTEOSA-N 385.844 3.510 0 40 GHAB CC(=O)c1ccccc1NC(=O)CNc1ccccc1I 9368796 REYPWNSBPMJEKW-UHFFFAOYSA-N 394.212 3.544 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)cc1 72281966 KTTKBOXXKWYAHH-UHFFFAOYSA-N 391.515 3.842 0 40 GHAB CCC(CC)[C@@H](NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)C(=O)OC 72301365 VYCSYSWMEDRYIX-HXUWFJFHSA-N 396.487 3.671 0 40 GHAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)C(C)(C)C)cc1 72310149 DQXDRBXGCFSTSG-ZDUSSCGKSA-N 376.526 3.947 0 40 GHAB CC[C@@H](Nc1ccccc1)C(=O)OCC(=O)NCCc1c(C)cc(C)cc1C 84718774 UTNPNHAHWOXUPN-OAQYLSRUSA-N 382.504 3.704 0 40 GHAB O=C(c1ccc(F)c(Cl)c1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211854 IERGVMFROHWQGK-UHFFFAOYSA-N 390.871 3.893 0 40 GHAB Cc1nc(COc2cccc(C(=O)Nc3c(C)cnn3-c3ccccc3)c2)no1 95976211 VLYDDFLHPDNHQP-UHFFFAOYSA-N 389.415 3.703 0 40 GHAB Cc1cc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)c2nc3n(c2n1)CCCCC3 95948272 UBDTYRFOMUGCFC-KRWDZBQOSA-N 398.894 3.583 0 40 GHAB COc1ccc(-n2nc(C(=O)Nc3nn(-c4ccccc4)cc3C)cc2C)cc1 95983288 PVIKNDQTCIKNAO-UHFFFAOYSA-N 387.443 3.936 0 40 GHAB CC(C)c1ccc(Cn2nccc2NC(=O)NCc2cccnc2N(C)C)cc1 95942236 VXAPTQAHSZEFLL-UHFFFAOYSA-N 392.507 3.838 0 40 GHAB C[C@H](O)CNCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 22075507 RALCAOKFVHXMIY-AWEZNQCLSA-N 383.319 3.632 0 40 GHAB O=C(Nc1ccc2ccccc2c1)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408974969 GWQMNOWGZXDHHX-UHFFFAOYSA-N 394.390 3.683 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1nc(-c2cccc(C)c2)no1 219568224 CJUUCOZJTSNFQX-MRXNPFEDSA-N 381.432 3.527 0 40 GHAB Brc1ccc(-c2nn3c(CN4CCCCCC4)nnc3s2)cc1 71260585 UJTIMYYIJXCLKI-UHFFFAOYSA-N 392.326 3.991 0 40 GHAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 72345911 ZVDHFDULFMZZKX-QGZVFWFLSA-N 376.435 3.885 0 40 GHAB CC(C)C[C@H](NC(=O)Cn1ccc2ccc(F)cc21)c1nnc2ccccn12 40817512 RXUAXDDNJNYVHL-KRWDZBQOSA-N 379.439 3.727 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)NCCOc1ccc2ccccc2c1 223610933 LTYKOERZXGNBAN-UHFFFAOYSA-N 375.877 3.992 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](OC)c1ccc(Cl)s1 225706478 QEBVVNZUNWIIJZ-NSHDSACASA-N 396.317 3.730 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 225213944 MDPKTVKNTAWGKU-HNNXBMFYSA-N 390.936 3.904 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)NCc2cccnc2-c2cccnc2)cc1 225643815 SVGBGDQXYOFVBI-UHFFFAOYSA-N 381.501 3.920 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C 225033699 AZUSOKBGERJECT-IBGZPJMESA-N 396.531 3.798 0 40 GHAB COc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)C)c1 225666208 SELIPKCGLLAXLK-LJQANCHMSA-N 396.531 3.796 0 40 GHAB CC(C)CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224031765 GLQJQQUIGOPNGO-UHFFFAOYSA-N 380.897 3.917 0 40 GHAB COc1ccc(C2(CNC(=O)c3ccc4ncsc4c3)CCOCC2)cc1 49513461 YBGJVBRLCHOPDY-UHFFFAOYSA-N 382.485 3.783 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 224847994 ZXRJCHLKJLZPKT-INIZCTEOSA-N 388.508 3.861 0 40 GHAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223553316 XDVOSZBFRRLXHQ-OAQYLSRUSA-N 382.504 3.947 0 40 GHAB Cc1cc(Cl)ccc1N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O 223676002 HWBMDRBGQDYVGZ-UHFFFAOYSA-N 388.961 3.745 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1cc(Cl)c2c(c1)OCO2 95478006 ILWCJKOIZYPVES-AWEZNQCLSA-N 381.841 3.564 0 40 GHAB O=C(CC1(n2cccc2)CCSCC1)NCCCc1nc2ccccc2[nH]1 96231460 WRNQHTRJWCRZFR-UHFFFAOYSA-N 382.533 3.726 0 40 GHAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4ncccc4C)C3)o2)cc1 257232122 GJMQHHFPNCJMNP-SFHVURJKSA-N 391.471 3.997 0 40 GHAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cccc(Cc2cccc(F)c2)n1 257230915 GEMLWMUGZBJRGW-GMAHTHKFSA-N 381.495 3.900 0 40 GHAB COc1ccccc1CC(=O)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257203815 ARTHJNFPFYSUMK-OFNKIYASSA-N 399.462 3.606 0 40 GHAB O=C(OCc1ccc(Cl)cc1-n1cncn1)c1ccnc(OC2CCC2)c1 1116891451 JKQZQPRAEITFNO-UHFFFAOYSA-N 384.823 3.604 0 40 GHAB CCOc1ccccc1C(=O)NCCn1nc(-c2ccncc2)c2c1CCCC2 96121449 HKDGPPMPQLGNPW-UHFFFAOYSA-N 390.487 3.653 0 40 GHAB COc1ccc(Br)c(C(=O)NC[C@@H](OC)c2ccccc2C)c1 96105008 SGKWMXRRWYHCFN-QGZVFWFLSA-N 378.266 3.884 0 40 GHAB CC(=O)N1CC(OCc2nc(-c3ccc(Oc4ccc(C)cc4)cc3)no2)C1 643954599 BZEAGXFKVCUSHP-UHFFFAOYSA-N 379.416 3.585 0 40 GHAB Cc1cc(C)n(-c2ccc(CNC(=O)N[C@H]3CCc4cc(F)ccc43)cn2)n1 56840231 SHOUFXBFLUXEFY-IBGZPJMESA-N 379.439 3.510 0 40 GHAB COc1cccc2sc(N(CCN(C)C)C(=O)Cc3ccc(F)cc3)nc12 5268257 DSLHRKWTZIXOKQ-UHFFFAOYSA-N 387.480 3.581 0 40 GHAB Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 12181418 SMNGJEAKKQTBJA-OWYVNGRQSA-N 397.401 3.773 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)C4CCCCC4)C3)cc2n1 12257871 NETYWGKQMISNPI-AWEZNQCLSA-N 380.414 3.953 0 40 GHAB Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1C 12900116 FGGAYMGQRNIXLS-UHFFFAOYSA-N 395.503 3.999 0 40 GHAB S=C(NCc1ccccc1CN1CCOCC1)Nc1cccc(Cl)c1 18165372 ZYIUFHFRHWJZGJ-UHFFFAOYSA-N 375.925 3.659 0 40 GHAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)CO2 19562377 OAKPJNXHWVJLBS-MJGOQNOKSA-N 397.471 3.627 0 40 GHAB Cc1nc(-c2ccccc2)c(Cc2nnc(NC(=O)c3cccnc3)o2)s1 19700817 XSAUQDDZLRFQLI-UHFFFAOYSA-N 377.429 3.740 0 40 GHAB O=C(c1cccnc1)N1CCC[C@H]1c1cc(CCOc2ccc(F)cc2)[nH]n1 19703598 GCXJRNMIZKLNRK-FQEVSTJZSA-N 380.423 3.543 0 40 GHAB O=C(c1cc(C2CC2)on1)N1CCCCC[C@H]2N[C@H](Cc3ccccc3)C[C@@H]21 19712950 UWDLQWAKISNGFL-SBHAEUEKSA-N 379.504 3.910 0 40 GHAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)N2CCCCC2)C1=O 205868369 HCJQHKNFNUZBRV-GZTJUZNOSA-N 383.473 3.525 0 40 GHAB Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1CCOCC1 226330816 JNHHEKPRCFPKJJ-UHFFFAOYSA-N 380.275 3.973 0 40 GHAB COc1cccc(C(=O)N2CCCC[C@H]3NCC[C@H](c4ccccc4)[C@H]32)c1OC 19567322 URSGEMAHGCJFIJ-SYYKKAFVSA-N 394.515 3.844 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)c2cc(C)sc2C)cc1 5768620 RXNZKTVZZRFQLC-UHFFFAOYSA-N 389.473 3.908 0 40 GHAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1 2498557 DKJCYHOIEGAIFC-UHFFFAOYSA-N 399.472 3.629 0 40 GHAB CN1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1cccc(F)c1 2715991 AESVVEBGTHASLO-UHFFFAOYSA-N 399.466 3.659 0 40 GHAB COc1cccc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)c1 4326650 WDIJZKXYETZRSR-UHFFFAOYSA-N 397.485 3.592 0 40 GHAB Cc1cc(C)c(C)c(Cn2c(CCNC(=O)CCCO)nc3ccccc32)c1C 7547105 YHZCYJQAXZCADF-UHFFFAOYSA-N 393.531 3.749 0 40 GHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccccc3F)ccc21 8840796 MDSCZTDVQXNYDD-UHFFFAOYSA-N 390.480 3.847 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1F 11612877 KLIOSFBVUJYRHV-HNNXBMFYSA-N 394.443 3.537 0 40 GHAB CCN1C(=O)Cc2cc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc21 17288936 XEDQDYVNVXWOFS-UHFFFAOYSA-N 386.517 3.939 0 40 GHAB O=C(NCc1cccc2ccccc12)NC[C@@H](c1ccsc1)N1CCOCC1 22679344 PTKXJUBGIDCIGI-NRFANRHFSA-N 395.528 3.774 0 40 GHAB COc1ccc(CCNC(=O)NC[C@H](O)c2ccc(-c3cccs3)o2)cc1 1775967621 YJDRSTTYUUSQKE-INIZCTEOSA-N 386.473 3.592 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)nc2n1 21773063 UNEXBEKUELRLJO-UHFFFAOYSA-N 398.879 3.694 0 40 GHAB CSc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 40133768 UJGLNBKVRKIDAE-DZGCQCFKSA-N 390.940 3.946 0 40 GHAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(C3CC3)c12 36617351 BXBDBPYMNOBNKK-SNVBAGLBSA-N 379.464 3.819 0 40 GHAB O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2nn3cnnc3s2)c1 20438151 UVJZGQNTVQHZNM-UHFFFAOYSA-N 385.836 3.524 0 40 GHAB COc1ccc(Nc2nc(C(=O)N(CCO)Cc3ccccc3)cs2)cc1 819481 RXPQVSCTESQRBK-UHFFFAOYSA-N 383.473 3.530 0 40 GHAB O=c1c2ccsc2ncn1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 11505663 SVPDFTWRMYFORV-QGZVFWFLSA-N 378.453 3.565 0 40 GHAB O=C(NCc1ccccn1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 31817891 CWIZKMQSOBBLDD-KRWDZBQOSA-N 387.439 3.543 0 40 GHAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCCCCC1 1353653 LGAGKWHTICXZIK-UHFFFAOYSA-N 397.450 3.760 0 40 GHAB Cc1ccc(NC(=S)N(CCCO)Cc2cc3cccc(C)c3[nH]c2=O)cc1 4127160 PQQOBWZKZLFPGF-UHFFFAOYSA-N 395.528 3.726 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)C1=C(c2ccccc2)SCCO1 20745635 PBVQMTRCPXRDLL-KRWDZBQOSA-N 384.501 3.665 0 40 GHAB O=C(COC(=O)c1cc(Br)ccc1O)Nc1cccc(Cl)c1 4808123 QBBSSDYFUINDFO-UHFFFAOYSA-N 384.613 3.604 0 40 GHAB O=C(CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1)N1CCCCC1 4967991 WHCJJNCAVDOZTC-UHFFFAOYSA-N 393.516 3.798 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 6324918 SXMPKNXESFKIDV-INIZCTEOSA-N 390.505 3.550 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 6966857 RSONPBYMHOLUNJ-UHFFFAOYSA-N 385.316 3.813 0 40 GHAB CNc1ncc(CN2[C@H](COc3cccc(C(F)(F)F)c3)[C@@H]3CC[C@@H]2C3)cn1 100112602 RQTPMSGKPLVQOH-QGPMSJSTSA-N 392.425 3.969 0 40 GHAB COc1ccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1Br 32760833 OWLCTQRSGQOAKN-AWEZNQCLSA-N 384.657 3.575 0 40 GHAB Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)[nH]c2c1C(=O)CCC2 32772764 KAKBLHOJHCSBKC-LJQANCHMSA-N 396.878 3.748 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 29795921 URGHCFWEYWKHHB-UHFFFAOYSA-N 390.795 3.565 0 40 GHAB Cc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 10009700 OMYGZTWUOHLWIR-UHFFFAOYSA-N 386.498 3.787 0 40 GHAB COc1cc2c(cc1C[C@H]1SC(=O)N(c3ccc(Cl)cc3)C1=O)OCO2 8114089 LZNYZNANICNURN-MRXNPFEDSA-N 391.832 3.888 0 40 GHAB CSc1ncc(C(=O)O[C@@H](C)C(=O)N(C(C)C)C(C)C)n1-c1ccccc1 21605325 NHDDJGWWBQNRDI-HNNXBMFYSA-N 389.521 3.785 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)c1C 21675673 MUHVBXZMXJVXIA-MLGOLLRUSA-N 382.460 3.747 0 40 GHAB COc1c(Br)cc(/C=C2/N=C(C)OC2=O)cc1Br 59484380 JISVDDZURPOIOM-BJMVGYQFSA-N 375.016 3.536 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 21895448 SSIIQNDUDWUVFJ-GJZGRUSLSA-N 398.956 3.633 0 40 GHAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccccc3N3CCCC3)ccc21 22643769 VPHILSPQJULAIB-UHFFFAOYSA-N 376.460 3.577 0 40 GHAB CC(=O)Nc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1F 23054865 OEJZNWNZPZQWBU-UHFFFAOYSA-N 376.331 3.604 0 40 GHAB CCn1cc(Cl)c(-c2cc(O)n3nc(-c4ccccc4OC)c(C)c3n2)n1 100733062 YJBZISXKDIPPKQ-UHFFFAOYSA-N 383.839 3.956 0 40 GHAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)c1ccc2c(c1)OCCO2 89866557 MDUKUFGZVZCBEK-UHFFFAOYSA-N 389.407 3.534 0 40 GHAB COc1ccc(C(=O)C2CCN(C(=O)NCc3ccc(C)c(F)c3)CC2)cc1 23174745 HIOVIMMRECFKGV-UHFFFAOYSA-N 384.451 3.947 0 40 GHAB O=C(Nc1ccc(Br)cc1)c1c(O)n2c3c(cccc3c1=O)CCC2 1254696 RNTVTUZBUVAUNQ-UHFFFAOYSA-N 399.244 3.668 0 40 GHAB Cc1ccc(F)c(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)c1 27973783 ZYVISGQPLXWZOM-UHFFFAOYSA-N 378.469 3.772 0 40 GHAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1nc(-c2ccccn2)n[nH]1 47342948 HPGJKEMLYKLWCN-UHFFFAOYSA-N 394.822 3.746 0 40 GHAB COc1ccc([C@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3C2)cc1OC 12407512 GFHAFFBZMORLOE-HLLBOEOZSA-N 395.503 3.889 0 40 GHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cccs1 20152360 HGMNOXULNLPVPB-UHFFFAOYSA-N 388.470 3.636 0 40 GHAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1nc2c(s1)CCCC2 61719838 RFZPOQVXERFZFV-UHFFFAOYSA-N 395.484 3.552 0 40 GHAB CCCOC(=O)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 2062964 FCFBHPRZMTWQTB-UHFFFAOYSA-N 385.030 3.849 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1 12558109 IPIOODYYTGFAKD-MRXNPFEDSA-N 387.911 3.806 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 10192075 JYFBYCIFBVYONS-UHFFFAOYSA-N 384.823 3.949 0 40 GHAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)C1CCN(C(=O)C2CC2)CC1 10290118 WRLZCURHFAMQKM-IBGZPJMESA-N 386.492 3.741 0 40 GHAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2c(C)nn(C)c2C)c(OC)c1 12542123 VOXIJHFEQYYXKX-NRFANRHFSA-N 392.459 3.825 0 40 GHAB O=C(CCCCCCCC(=O)n1nnc2ccccc21)n1nnc2ccccc21 2195182 WOYLEKDDZVHDSS-UHFFFAOYSA-N 390.447 3.887 0 40 GHAB Cn1c(=O)c2c3c(sc2n2c(SCc4ccccc4)nnc12)CCCC3 2278027 SZKXXZCCWRVOLE-UHFFFAOYSA-N 382.514 3.814 0 40 GHAB O=S(=O)(NCCc1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 3269835 KEVWMXJFKDCDMR-UHFFFAOYSA-N 378.906 3.985 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1ccc(OC)c(OC)c1 2321227 YJYLOAKNZQNTAZ-UHFFFAOYSA-N 386.379 3.753 0 40 GHAB Cc1[nH]c(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C)c1C(=O)OC(C)C 10897844 LPVOGTFWLLINQZ-UHFFFAOYSA-N 394.475 3.655 0 40 GHAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)cc1 12739910 CIVRJSZWKXXJED-OAHLLOKOSA-N 385.435 3.723 0 40 GHAB COc1ccc(CNC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1 12775978 WZSQLTHPIUEXIK-UHFFFAOYSA-N 386.455 3.882 0 40 GHAB CC(=O)c1sc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)nc1-c1ccccc1 12879209 WKVGCFQNKGDCOT-INIZCTEOSA-N 392.436 3.733 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc(C(F)(F)F)n1C 3414046 MWSFXRVVSIIGJP-SSDOTTSWSA-N 394.806 3.615 0 40 GHAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1C1CC1 7799465 JZJJAUFUKIXASF-ZDUSSCGKSA-N 397.508 3.572 0 40 GHAB C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1ccc(Cl)cc1 12995549 MMHUZOJXQDSZHA-CHWSQXEVSA-N 392.908 3.542 0 40 GHAB O=C(OCCOc1cccc(Br)c1)c1cc(=O)c2ccccc2o1 3513072 MDRCQQRBOFXHLQ-UHFFFAOYSA-N 389.201 3.791 0 40 GHAB CC[C@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)Nc1cc(C)on1 16127565 NNZYJOGVQDDRAA-NSHDSACASA-N 377.447 3.742 0 40 GHAB O=C(OCc1ccc(F)cc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 7971031 UXWPLOMHXRTLRV-UHFFFAOYSA-N 388.398 3.941 0 40 GHAB COc1cc(S(=O)(=O)N(C)Cc2ccc3ccccc3c2)ccc1NC(C)=O 7987093 RCOIMTPIRGJWTF-UHFFFAOYSA-N 398.484 3.628 0 40 GHAB O=c1[nH]c2ccccc2n1C1CCN(Cc2cc(Cl)nc(Cl)c2)CC1 64139589 QPBRVRRDBGYZPT-UHFFFAOYSA-N 377.275 3.869 0 40 GHAB Cc1ccc2c(C)c(C(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)oc2c1 4183509 BWNHNJOUCIHTPY-GOSISDBHSA-N 397.496 3.879 0 40 GHAB O=C(N(CC1=CCS(=O)(=O)C1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4144924 PJCAHCDSQFPJSM-UHFFFAOYSA-N 385.529 3.591 0 40 GHAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnnn1-c1ccccc1 5035296 ZBWHKDCICXSAPA-UHFFFAOYSA-N 381.505 3.582 0 40 GHAB COc1ccccc1/C=C/c1nn2c(-c3cc(CC(C)C)[nH]n3)nnc2s1 13722674 VRWJHZVAVCCMHU-CMDGGOBGSA-N 380.477 3.953 0 40 GHAB CCCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 13944572 JHKUQBMTSUUYRZ-NSHDSACASA-N 378.885 3.841 0 40 GHAB COCc1cccc(C(=O)N(C)Cc2cc(Br)ccc2OC)c1 14183407 QHHVEVPTCDNZSN-UHFFFAOYSA-N 378.266 3.876 0 40 GHAB O=C(O)CC1=C2CN(C1=O)[C@@H](c1ccccc1)c1cc(Br)ccc1N2 4561175 VWTZSNCNIJWNTG-SFHVURJKSA-N 399.244 3.535 0 40 GHAB COc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1c(F)cccc1Cl 4573324 JSSARJZMIKOZJM-PBHICJAKSA-N 397.855 3.855 0 40 GHAB CCOC(=O)CCCSc1nc2sc3c(c2c2ncnn12)C[C@@H](C)CC3 5562212 HOWRMZCGDQSNMI-NSHDSACASA-N 390.534 3.899 0 40 GHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(Cl)cc1 6628249 OBDHIKOTHNWHFE-UHFFFAOYSA-N 381.745 3.651 0 40 GHAB Nc1n[nH]c2nc(NCc3ccccc3)c3c(c12)CCN(Cc1ccccc1)C3 4728534 FBPDAPTUUYWCKJ-UHFFFAOYSA-N 384.487 3.711 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2C)c1 4736497 LFABJAMPUFCUCH-UHFFFAOYSA-N 398.488 3.539 0 40 GHAB Cc1cccc(Cc2cnc(NC(=O)c3ccccc3S(C)(=O)=O)s2)c1 8744572 GJEZMYZKBHVIDQ-UHFFFAOYSA-N 386.498 3.698 0 40 GHAB CC(=O)N1CCc2cc(C(=O)Nc3nn(-c4ccccc4Cl)cc3C)ccc21 92646035 WFIDXRDXTHNASK-UHFFFAOYSA-N 394.862 3.995 0 40 GHAB COc1ccc(CCCNC(=O)COc2cccc(C(F)(F)F)c2)cc1OC 65086572 MDIOBGOJZLYJII-UHFFFAOYSA-N 397.393 3.850 0 40 GHAB Cc1ccc(-c2noc(CN(c3ccc(Cl)cc3F)S(C)(=O)=O)n2)cc1 9113458 ZFZKKQZSIYFOKH-UHFFFAOYSA-N 395.843 3.804 0 40 GHAB O[C@]1(c2ccc(Cl)cc2)CN(c2ccc3c(c2)OCO3)C2=[N+]1CCCCC2 27525148 BYCMUMOWVJSROE-NRFANRHFSA-N 385.871 3.719 0 40 GHAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 9378458 XPQUGSODOAOUSX-UHFFFAOYSA-N 390.468 3.740 0 40 GHAB O=C1c2ccccc2N[C@@H](c2cnn(Cc3ccccc3)c2)N1C[C@H]1CCCO1 9471075 YIQVQSPDVGNSDQ-DENIHFKCSA-N 388.471 3.677 0 40 GHAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCCC4=CCCCC4)c3)c2)n1 71768509 RDDLAVIJWZTLLD-UHFFFAOYSA-N 392.463 3.500 0 40 GHAB COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)c1 21577199 FPCZLDIDFQQXGB-UHFFFAOYSA-N 387.480 3.951 0 40 GHAB CC1(C)CC(=O)c2cc(C(=O)N(CCc3cccc(F)c3)C3CC3)c(=O)[nH]c2C1 95959489 DPEGTHLRBUAXJX-UHFFFAOYSA-N 396.462 3.516 0 40 GHAB CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 95998677 UJVUBCWANOBSJN-GOSISDBHSA-N 391.475 3.724 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cn2)c1 95947541 QWDIZIHPZZNACH-UHFFFAOYSA-N 399.447 3.688 0 40 GHAB C[C@@H]1Oc2c(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cccc2[C@H]1C 9954345 QFOWVEIUPYRXSR-IRXDYDNUSA-N 384.520 3.826 0 40 GHAB COc1cccc(-c2nc(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cs2)c1 79486409 CNNRQIKPUSMCRS-KKSFZXQISA-N 386.517 3.515 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)o1 306128414 GZQIBOYOTAIOHK-GOSISDBHSA-N 387.443 3.713 0 40 GHAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c1 408582639 DYPMFTDBUCYXEC-UHFFFAOYSA-N 375.494 3.882 0 40 GHAB CC(C)c1c(C(=O)NCc2ccc(OC(F)F)cc2)cnn1-c1ccccn1 32911703 ZNEXCBLGHWHEJZ-UHFFFAOYSA-N 386.402 3.922 0 40 GHAB CC(C)c1nnc(C(=O)NC[C@@H](C)Oc2ccccc2Br)s1 555540338 LRWNDICHBNYVQG-SNVBAGLBSA-N 384.299 3.621 0 40 GHAB COCCN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 515740129 PFLQATVFIPTWID-UHFFFAOYSA-N 383.879 3.970 0 40 GHAB CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1ccc(Cl)cc1F 71769028 HEVCETJEVHNUNV-UHFFFAOYSA-N 391.805 3.624 0 40 GHAB CC(C)Oc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 219975332 ZPPAYYJTDNWLIW-UHFFFAOYSA-N 388.489 3.511 0 40 GHAB CC[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1C)n1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)n1 36617862 BANKRJPHTSEQJT-IPLXSBJHSA-N 388.556 3.838 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)NC[C@@H](c2ccsc2)c2ccco2)c1 669461725 MIWIQHXTVNXWFI-KRWDZBQOSA-N 375.471 3.654 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 222993385 VTHLCWFEYCSJMH-ZIAGYGMSSA-N 398.351 3.525 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCCSC1CCCCC1)CCCC2 224628378 RZIPNNFCANDENX-UHFFFAOYSA-N 383.579 3.918 0 40 GHAB CC(=O)c1ccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)cc1 44841580 ASGHNDDSVHBIKB-UHFFFAOYSA-N 380.444 3.551 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 224265959 QTHCOADITPZUJF-OAQYLSRUSA-N 396.531 3.934 0 40 GHAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)COc1ccc(Cl)cc1 225245750 JVDFSIQUIXTRCU-VCHYOVAHSA-N 377.897 3.643 0 40 GHAB COc1ccc(CC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1C 225872767 CKYIFZWIIXEDAP-UHFFFAOYSA-N 385.851 3.908 0 40 GHAB COc1ccc(-c2noc(CNC(=S)Nc3c(F)cccc3F)n2)cc1 225824054 QSIOVONDFPHOTB-UHFFFAOYSA-N 376.388 3.510 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(C)cc2)cc1 224452349 HHHPDANLJSYVMI-KRWDZBQOSA-N 388.533 3.734 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225702873 JFAQSQZWXMFGMV-UHFFFAOYSA-N 392.502 3.843 0 40 GHAB CSc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1NC(=O)C(C)C 224589962 QZVMYBVXTBBAIW-UHFFFAOYSA-N 396.509 3.621 0 40 GHAB CCC(CC)NC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccccc2)cc1 224451903 LCGRFVATMFYMEQ-UHFFFAOYSA-N 388.533 3.816 0 40 GHAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1ccc(F)cc1 225727762 QKUWXOKKOSELMN-UHFFFAOYSA-N 375.197 3.542 0 40 GHAB O=C(/C=C/c1ccccc1)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2 77101190 VAMRWJXTZBGYHX-ZHACJKMWSA-N 375.394 3.746 0 40 GHAB CS(=O)(=O)c1ccc([C@@H]2SCC(O)=Nc3ncn(-c4ccccc4)c32)cc1 95473102 SKHHCXPRNWVUKW-SFHVURJKSA-N 399.497 3.700 0 40 GHAB C[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cn(C)c2ccccc12 1589423566 KWKWDFNVGLXRQY-XOBRGWDASA-N 389.455 3.575 0 40 GHAB CCc1ccc(C2=NN(C(=O)c3cccc(OC)c3)[C@@](O)(C(F)(F)F)C2)cc1 96580090 KOMZRCGKFWRFIU-IBGZPJMESA-N 392.377 3.759 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257235501 GYDCMAVFYBEFTG-GOSISDBHSA-N 381.407 3.785 0 40 GHAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H]3CCC[C@@H]3C(=O)O)cccc2c1=O 1599969346 GVAALXVXGRFHFE-MAUKXSAKSA-N 391.423 3.752 0 40 GHAB CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(Cn2ccnc2)cc1 584907033 XVJRXYSQLYPBQY-UHFFFAOYSA-N 375.519 3.737 0 40 GHAB c1cc(-c2cncnc2)nc([C@H]2CN(Cc3cccc4ncccc34)CCO2)c1 257249541 JIVITJJAQWRJDG-HSZRJFAPSA-N 383.455 3.660 0 40 GHAB Cn1cncc1-c1cc(CC2CCN(C(=O)c3ccccc3F)CC2)ccn1 257232324 GKJUDDQUNWKLPD-UHFFFAOYSA-N 378.451 3.716 0 40 GHAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCOc2cc(F)ccc2C1 629852823 BKNSXTJCHQVOQB-LLVKDONJSA-N 399.388 3.726 0 40 GHAB O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@@H]1CCn2cncc2C1 655253477 HAVCQITYDZLZBU-CQSZACIVSA-N 393.409 3.582 0 40 GHAB CO[C@H](c1noc(-c2c(C3CC3)cnn2C)n1)c1ccccc1Br 664915709 IPVGEZABLWSVLJ-HNNXBMFYSA-N 389.253 3.846 0 40 GHAB CSc1ccc(NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)cc1 169768682 KSFCBBXQLFKRPA-UHFFFAOYSA-N 399.545 3.565 0 40 GHAB Cc1ccc(-c2cc(C[C@]3(C(=O)O)CCCN(C(=O)CC(C)C)C3)on2)cc1 12366482 GFGPPFUESAMBFA-JOCHJYFZSA-N 384.476 3.932 0 40 GHAB Cc1cccc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c1C 12603558 HLAGDCVLTRMRED-FQEVSTJZSA-N 383.879 3.975 0 40 GHAB O=C(CSc1nc2ccccc2c2nc(-c3cccnc3)nn12)c1ccco1 13640169 YKAWAUDDLJIKPL-UHFFFAOYSA-N 387.424 3.908 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13715647 JZRSXKLHEQPSBI-SFHVURJKSA-N 392.496 3.880 0 40 GHAB CC(C)C(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(C)(=O)=O)C[C@H]1C 14607289 HZGNBFCYRNEQEU-OXQOHEQNSA-N 386.517 3.975 0 40 GHAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)[C@@H]3CC=CCC3)CC2)C1 19019786 RNPTVWCJCLFMMV-JVIIGWRGSA-N 396.531 3.924 0 40 GHAB Cc1ccc([C@@H](CNC(=O)C[C@@H](C)n2nc(C)c(Cl)c2C)N(C)C)cc1 19136438 GGNHOLIDFMZPMA-RDTXWAMCSA-N 376.932 3.832 0 40 GHAB CC(C)Oc1cccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 19450879 HPEBKWHNULPIBN-QFIPXVFZSA-N 380.536 3.979 0 40 GHAB CCOC(=O)C1(C[C@@H]2CC(c3ccccc3F)=NO2)CCN(CC2CC2)CC1 19530197 VSTOZCHUFPGUAK-KRWDZBQOSA-N 388.483 3.764 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc(Cl)cc2Cl)cc1 5605256 LAMVQAWGRJQCRH-UHFFFAOYSA-N 381.259 3.778 0 40 GHAB O=C([C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1ccccc1)N1CCOCC1 19298300 BUVVDUXTAZRWEC-LJQANCHMSA-N 397.475 3.908 0 40 GHAB COc1cccc(CN2CCC[C@@]3(CC2)CC(=O)NCc2ccccc2N3)c1 2037989126 WKJCZXMGWQIWEO-HSZRJFAPSA-N 379.504 3.552 0 40 GHAB Cn1cccc1Cc1nnc(SCC(=O)Nc2cccc3ccccc23)n1C 2712844 LFKWJJMWCRFBRJ-UHFFFAOYSA-N 391.500 3.628 0 40 GHAB Cc1cccc(NC(=O)C(=O)NCCc2csc(-c3cccc(F)c3)n2)c1 4375490 OBDDNQGEIMGUGY-UHFFFAOYSA-N 383.448 3.555 0 40 GHAB COc1ccccc1OCC(=O)NCCc1csc(-c2ccc(F)cc2)n1 5137421 INTFBBLQDSATHE-UHFFFAOYSA-N 386.448 3.696 0 40 GHAB Cc1cccc(NC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)c1C 5252853 LVMIFBYEEUHBRY-UHFFFAOYSA-N 391.471 3.570 0 40 GHAB CCCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccccc3)ccc21 9167522 XUBBIWRAIRYNPB-UHFFFAOYSA-N 388.489 3.649 0 40 GHAB O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)NCc1ccco1 12414514 WZNLHFRDKFTISR-UHFFFAOYSA-N 393.830 3.626 0 40 GHAB COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccc(F)cc3)C2=O)cc1 21147556 OGNPGEJBNURNAL-UHFFFAOYSA-N 380.419 3.966 0 40 GHAB COc1ccc(CNC(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)cc1 43973042 LUXGWRHHZVDRFM-UHFFFAOYSA-N 385.508 3.616 0 40 GHAB Cc1nc2cc(NC(=O)CN(C)C(=O)c3c[nH]c4ccccc34)ccc2s1 49027886 QLVOERNQAYHLEI-UHFFFAOYSA-N 378.457 3.797 0 40 GHAB COc1cc(OC)cc(-c2nc(-c3nnn(Cc4ccc(C)cc4)c3C)no2)c1 49410232 OANXGRSUQJIZEC-UHFFFAOYSA-N 391.431 3.677 0 40 GHAB COc1ccc(-c2nc(-c3cn(-c4cccc(Cl)c4)nn3)no2)cc1OC 49410145 YCSOWKWFLMETHX-UHFFFAOYSA-N 383.795 3.655 0 40 GHAB O=S(=O)(NCc1ccc(-c2ccco2)o1)c1ccccc1Br 575611469 VMGZVJUQQJNZMF-UHFFFAOYSA-N 382.235 3.781 0 40 GHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NCc2cccc(F)c2)cc(=O)[nH]1 19285170 IMOQZJKWJURVKJ-HXUWFJFHSA-N 376.435 3.772 0 40 GHAB Cc1nc(N2CCC(N3CCO[C@@H](C)C3)CC2)c2c3c(sc2n1)CCCC3 40135271 GSNKPBAUWXGUHO-AWEZNQCLSA-N 386.565 3.568 0 40 GHAB CC(C)[C@H](NC(=O)CCn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O 40312601 NGJZBGUHMWJGBJ-QFIPXVFZSA-N 394.471 3.836 0 40 GHAB biogenic COc1ccc(CN([C@H](C)C2CC2)S(=O)(=O)c2ccc(F)cc2F)cc1 31656809 OCRTZEIBQFWFRX-CYBMUJFWSA-N 381.444 3.963 0 40 GHAB Cc1nc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2C)sc1C 8365509 XODYFVKVDCBKAS-NSHDSACASA-N 391.497 3.814 0 40 GHAB CCN(CC)CCn1c(NC(=O)c2cccnc2SC)nc2ccccc21 11554945 SPHWZUXCPAZWSB-UHFFFAOYSA-N 383.521 3.747 0 40 GHAB Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@H]2CCCO2)cc1 790369 KQNZWOYCJOUODA-OAQYLSRUSA-N 390.483 3.966 0 40 GHAB COc1cc2c(c(Br)c1N)-c1cc(Br)c(N)cc1C2=O 1714593 UCAXNBVCXYTFQK-UHFFFAOYSA-N 398.054 3.596 0 40 GHAB O=C(CSc1nnc(-c2ccccc2)n1-n1cccc1)Nc1ccc(F)cc1 4518576 SHGFDMMNPJEKLA-UHFFFAOYSA-N 393.447 3.928 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 7882361 DWJWCKVFAABOQU-LLVKDONJSA-N 379.243 3.994 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)no1 2642449 FIZNBHARFIVJNV-UHFFFAOYSA-N 395.444 3.863 0 40 GHAB COc1ccc(OC[C@H](O)CN(C)Cc2c(C(C)C)[nH]c3ncc(C)cc23)cc1 57773798 GCEHITWBMSRGAF-QGZVFWFLSA-N 397.519 3.875 0 40 GHAB COC[C@H](C)NC(=O)COc1ncnc2scc(-c3ccc(Cl)cc3)c12 2643855 BJPDUHMNDCVRPS-NSHDSACASA-N 391.880 3.542 0 40 GHAB CCCCOc1ccc(NC(=O)CN2CCN(c3cccc(C)c3)CC2)cc1 57720121 BIKDBMCMMIXHLP-UHFFFAOYSA-N 381.520 3.935 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 8261934 RFTQCGWWXIRNLM-SFHVURJKSA-N 394.471 3.807 0 40 GHAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccccc1 10372401 VVOMSVZBFZEDRR-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12 9836872 GTZLPAJHYZGZRS-LBPRGKRZSA-N 398.463 3.762 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Br)cc2)cc1C 678468 CYMVDWKARNKSNZ-UHFFFAOYSA-N 393.306 3.958 0 40 GHAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(Cl)cc3C)CC2)cc1 57449807 OPHGFMJIBZMAIN-UHFFFAOYSA-N 385.895 3.612 0 40 GHAB Cc1ccc(-c2nnc(SCCN3CCOCC3)n2-c2ccc(C)cc2)cc1 24479054 VMKAIXWOUTXEGU-UHFFFAOYSA-N 394.544 3.975 0 40 GHAB COc1cc(NC(=O)c2cccc(I)c2)cc(OC)c1 826224 SEVPIZGEULQDGK-UHFFFAOYSA-N 383.185 3.561 0 40 GHAB Cc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)Cc1ccccc1 59502337 VZRSXIBHAGHFDJ-UHFFFAOYSA-N 384.435 3.824 0 40 GHAB Cc1nn(C)c(Cl)c1C(=O)O[C@@H](C(=O)Nc1ccc2c(c1)CCC2)C(C)C 43052898 DWXWKGHZASVLQZ-QGZVFWFLSA-N 389.883 3.691 0 40 GHAB CCCSc1nn(CN2CCN(c3ccccc3O)CC2)c(=S)s1 12561928 DVWSQNRKTHOTCY-UHFFFAOYSA-N 382.580 3.661 0 40 GHAB CCc1nnc2sc(-c3cccc(NC(=O)c4cccc(C)c4OC)c3)nn12 57316951 CNUHNBSVRNTJRV-UHFFFAOYSA-N 393.472 3.985 0 40 GHAB CC[C@@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(C)cc1 24989212 ROGHNNQHLSGVAF-IFMALSPDSA-N 393.531 3.913 0 40 GHAB CC(C)(C)c1cc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)on1 12569061 MWZRCEIMOSZKIE-OAHLLOKOSA-N 385.464 3.519 0 40 GHAB Cc1nc2cc(NC(=O)c3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)ccc2o1 25075063 XOHXLRKMYAGWGM-GJZGRUSLSA-N 379.460 3.998 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3nc4ccccc4s3)C2)nc1 56331631 SZJMVPKFGLKTRU-AWEZNQCLSA-N 395.488 3.882 0 40 GHAB CCCN1CC[C@@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 56986666 KYEBCVNPTHLOJV-ZDUSSCGKSA-N 381.307 3.641 0 40 GHAB Cc1nccn1C[C@@H](C)CNC(=O)c1cc(-c2ccncc2)nc2ccccc12 47938068 GJKHVAPVJQARJD-INIZCTEOSA-N 385.471 3.868 0 40 GHAB CC1CCN(S(=O)(=O)c2cccc(C(=O)NC(C(C)C)C(C)C)c2)CC1 113957596 XARWFVHKPHFSMJ-UHFFFAOYSA-N 380.554 3.518 0 40 GHAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1 58210807 DKSOWJJHTAIXHP-MXKPZRPRSA-N 386.536 3.722 0 40 GHAB CC(C)(C)C(=O)NCCC(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 12770600 YDSICNWTSXDUCL-UHFFFAOYSA-N 381.448 3.503 0 40 GHAB Cc1cccc(CN2CCC(NC(=O)C(=O)c3c(C)[nH]c4ccccc34)CC2)c1 48356230 IXBZRVBSIRTOPJ-UHFFFAOYSA-N 389.499 3.748 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)Oc1ccc(-c2nc(C)cs2)cc1 12921644 MGYNGGDACQIGQC-UHFFFAOYSA-N 395.483 3.734 0 40 GHAB O=C(NCC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 408707602 KVVITGYWYPJCBM-NRFANRHFSA-N 384.479 3.988 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 5113551 DTDPWODSBGIVTR-FMIVXFBMSA-N 393.483 3.733 0 40 GHAB COc1cc(Br)c(CC(=O)Nc2ccc(C(C)=O)cc2)cc1OC 8744754 CQLCYEAJWXSNNE-UHFFFAOYSA-N 392.249 3.850 0 40 GHAB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCCCN1CCCC1=O 8756431 PBJVWZNHGLUHBU-UHFFFAOYSA-N 381.307 3.590 0 40 GHAB CN(Cc1ccco1)C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 5333606 XGADAOIIIAGNOE-UHFFFAOYSA-N 386.452 3.763 0 40 GHAB C[C@@H](Sc1nnc(Nc2ccccc2Cl)s1)C(=O)NC[C@@H]1CCCO1 8745618 QQUMMQJFHOKTCH-MNOVXSKESA-N 398.941 3.711 0 40 GHAB Cc1cnc(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)s1 14662431 DOYYNXIZYRKRDF-ZIAGYGMSSA-N 387.505 3.872 0 40 GHAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCC)cc3)CC2=O)cc1 4703084 HOTXGPBCBYVZAD-INIZCTEOSA-N 382.460 3.866 0 40 GHAB COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(Cl)c1 6752818 ABGZRJBIKCSMHU-IBGZPJMESA-N 383.835 3.627 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(Cl)c2c(c1)OCCO2 15096368 IBMCOSKCLYKPRV-ZDUSSCGKSA-N 398.850 3.525 0 40 GHAB O[C@@H](CO[C@H]1CCCc2ccccc21)CSc1nncn1-c1ccccc1 7032078 BHJNVRZWJFAOMR-ICSRJNTNSA-N 381.501 3.815 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@H](C)c2ccc(OC)c(F)c2)c1C 9076942 ZOAYNKBEHQIIHD-OCCSQVGLSA-N 390.455 3.878 0 40 GHAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 15879736 KTUVBTPELYNWRG-CQSZACIVSA-N 378.428 3.837 0 40 GHAB Cn1c(SCC(=O)Nc2ccc3ccccc3c2)nc2ccccc2c1=O 23592995 SHYIJLOJBABIHI-UHFFFAOYSA-N 375.453 3.818 0 40 GHAB COc1cccc(-c2csc3ncc(C(=O)Nc4cccc(F)c4)c(=O)n23)c1 64787930 OQWLRFIHJNOVQV-UHFFFAOYSA-N 395.415 3.823 0 40 GHAB CC(C)Sc1ncccc1C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 84622360 DJQCWVKFOOPTMB-AWEZNQCLSA-N 379.526 3.711 0 40 GHAB Cc1ccc(CC(=O)N2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 95393875 XLLDMMBXGVJDDZ-UHFFFAOYSA-N 396.918 3.594 0 40 GHAB O=C(c1ccsc1)N1CC[C@]2(C1)CN(Cc1ccccc1)c1cccnc12 306134428 NMXBEKBKBODTQA-QFIPXVFZSA-N 375.497 3.947 0 40 GHAB COc1ccc(C[C@@H](C)c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 544963133 PSPZQAZCVUQCSG-NVXWUHKLSA-N 377.444 3.945 0 40 GHAB CSc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 30865660 BGSNRNXWKPOAPB-UHFFFAOYSA-N 390.530 3.586 0 40 GHAB CC(C)(C)OC(=O)[C@@H](N)CCNC(=O)OCC1c2ccccc2-c2ccccc21 39106143 JHVVPEUJDNXKJI-FQEVSTJZSA-N 396.487 3.584 0 40 GHAB Cc1cccc2c1NC(=O)[C@@]21Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 32666133 AWTDBAILQSSCSY-HSZRJFAPSA-N 399.406 3.601 0 40 GHAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)[C@@H]3CCCc4ccccc43)ccc21 39977912 ILXPFTGRXBHTOZ-HXUWFJFHSA-N 375.472 3.874 0 40 GHAB COc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@H](C)C2)c1 33684968 XEFGXOBSBXOELZ-DCGLDWPTSA-N 386.521 3.881 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 216289967 XXWUSVCDYFTXJX-ZDUSSCGKSA-N 389.473 4.000 0 40 GHAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OCC)c3)N(C)C2=S)cc1 409037784 TYYJVQOECIWWTN-ATVHPVEESA-N 398.484 3.794 0 40 GHAB CC(C)c1noc(COC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)n1 36692740 ZEWRZAJCUKPMFB-DLBZAZTESA-N 397.475 3.632 0 40 GHAB Cc1oc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1S(C)(=O)=O 1531627996 HYESVHKBROJXIS-UHFFFAOYSA-N 395.440 3.787 0 40 GHAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)N1CC[C@@H](c2nc[nH]n2)C1 564320603 WWTSXGCCFJSTHJ-GFCCVEGCSA-N 388.884 3.527 0 40 GHAB COc1cc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc(OC)c1OC 219027787 ICMKKXVBXARQGP-HNNXBMFYSA-N 395.455 3.949 0 40 GHAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)C1 40034527 IXUKJZNNQGFFBF-OKILXGFUSA-N 397.500 3.980 0 40 GHAB Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225470474 DZPAHQHYRWYEMT-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 222905676 LKBCARSPIGGPER-WOJBJXKFSA-N 377.517 3.896 0 40 GHAB CC(C)(C)c1cc(NC(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)n(-c2ccccn2)n1 567026295 IXOKPQNFIUYGKG-JKSUJKDBSA-N 395.507 3.598 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 223770737 FLEONXPQHCSXLO-CQSZACIVSA-N 376.859 3.575 0 40 GHAB O=C(CN1CCC(c2nc(-c3cccc(F)c3)no2)CC1)Nc1ccccc1 49403316 PBOQMAYFGCOQBM-UHFFFAOYSA-N 380.423 3.694 0 40 GHAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225643263 JWRHLAYNAHCWAU-MRXNPFEDSA-N 383.517 3.876 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223869923 SZYADNXFRVOUHQ-UZLBHIALSA-N 389.517 3.742 0 40 GHAB CCN(CC)C(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224266105 NIHAWDOLUOAABO-UHFFFAOYSA-N 380.897 3.647 0 40 GHAB S=C(NCc1ccc(Cl)cc1)Nc1nc(Cl)cc(N2CCCC2)n1 225935955 RVYKMDIUMMASLT-UHFFFAOYSA-N 382.320 3.870 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220568846 YIRCRFIIBDUSKA-SFHVURJKSA-N 396.459 3.765 0 40 GHAB C[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 222717395 UWLIPSNJFACVHB-MRXNPFEDSA-N 398.478 3.686 0 40 GHAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1cccc(Cl)c1 224143591 OLCLVALTIMRTRS-GOSISDBHSA-N 375.852 3.836 0 40 GHAB O=C(NCCc1ccccc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 243607460 OWHBUXHGIZVGCW-AWEZNQCLSA-N 377.271 3.705 0 40 GHAB COc1ccc([C@H](O)CN2CCc3c([nH]c4ccccc34)[C@H]2C)cc1NC(C)=O 247900402 ALVSYFSJMSIEOA-SPLOXXLWSA-N 393.487 3.788 0 40 GHAB CN(C)CCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 257224417 FBSVWWGNSBZQBU-UHFFFAOYSA-N 384.495 3.510 0 40 GHAB CCC(CC)C(=O)N1CCC[C@@](COc2ccc(Cl)cc2)(CC(N)=O)C1 257232602 GLPDUTMRXDBMRE-HXUWFJFHSA-N 380.916 3.639 0 40 GHAB CCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCC[C@H](C)C2)n1 260735330 GPXPONSXRVRQFS-INIZCTEOSA-N 390.601 3.790 0 40 GHAB COc1cc2c(cc1Oc1c(O)c(OC)cc3c1[C@@H](C)NCC3)[C@H](C)N(C)CC2 33778578 YEMKSFIYOHUWLM-KGLIPLIRSA-N 398.503 3.957 0 40 GHAB biogenic CC(=O)Nc1nc(CN2Cc3ccc(Br)cc3C[C@@H]2C)cs1 1232287302 PMAGWOWNWAZIAU-JTQLQIEISA-N 380.311 3.811 0 40 GHAB C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 613838158 WKLORKLFLMTHHY-PKJGBGANSA-N 392.580 3.565 0 40 GHAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)NCCOc1ccc(F)cc1 614014488 VSNJLMVLBLJOAI-UHFFFAOYSA-N 390.411 3.907 0 40 GHAB COc1ccc([C@H]2CCN(C(=O)c3ccc4c(ccn4CCCN)c3)C2)cc1F 638767061 UXGVRTJBYVQEEF-IBGZPJMESA-N 395.478 3.768 0 40 GHAB COc1cnccc1[C@H](C)NC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C 661049661 CHCJNMKPDJZAOR-KSMMKXTCSA-N 389.883 3.976 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96025421 GAKZWFWTSPVTAQ-MRXNPFEDSA-N 398.406 3.786 0 40 GHAB Cc1cccc(CS(=O)(=O)NCc2ccc(C(=O)c3ccccc3)s2)c1 96119877 BRQFZMFBAHKNSZ-UHFFFAOYSA-N 385.510 3.907 0 40 GHAB COc1ccc(-c2nc(COC(=O)c3cc(=O)[nH]c4ccccc34)co2)cc1 42687549 RCQAQRUEPMOLIQ-UHFFFAOYSA-N 376.368 3.549 0 40 GHAB Cc1cccc(CN2CCCCCc3ccccc3OC[C@@H](O)[C@@H](O)CC2)c1 1615162504 YFMFLEKPSSNRLU-XZOQPEGZSA-N 383.532 3.714 0 40 GHAB N[C@@H](C(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1)[C@H]1CCCO1 1616035226 SVEQCDTXAMVWKR-SJLPKXTDSA-N 395.286 3.908 0 40 GHAB CC(C)CC(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 11531359 ZIGDJTFVVULGJA-UHFFFAOYSA-N 397.866 3.861 0 40 GHAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12199937 SPVTUNVTLIVYSH-UHFFFAOYSA-N 386.473 3.573 0 40 GHAB CCCCCCn1c(S[C@H](C)C(=O)NC(=O)NCC)nc2ccccc21 12542958 FEUJLAJMTVGSPA-CQSZACIVSA-N 376.526 3.943 0 40 GHAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc2c(c1)CCCC2 12806701 UGBNSYFXWDDMOV-UHFFFAOYSA-N 394.515 3.910 0 40 GHAB CC[C@@H](C(=O)NCc1ccccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714351 FVBKBXMBTFQSPW-SFHVURJKSA-N 394.924 3.509 0 40 GHAB CC[C@H](C(=O)NCCC1=CCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716463 GMUPPQSDCOLKSH-HXUWFJFHSA-N 392.565 3.855 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(C)c2c1C(=O)C[C@H]2C 14373806 PYDKYGZTQWACHC-CYBMUJFWSA-N 396.443 3.669 0 40 GHAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NC1CCCCCC1 16491228 KJFOILNDAKFRKB-UHFFFAOYSA-N 392.565 3.849 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)CCn1c(S)nnc1-c1cccc(C)c1 17971192 LSZZAUCNGKLIAN-HNNXBMFYSA-N 396.516 3.818 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3nc(-c4cnn(C)c4C)cs3)on2)cc1 19660466 QEGCDCZTJNUXGT-UHFFFAOYSA-N 395.444 3.768 0 40 GHAB CCc1ccnc(CNC(=O)N2CCOc3cc(Br)ccc3C2)c1 664807021 LMCBANKSTQHZCA-UHFFFAOYSA-N 390.281 3.511 0 40 GHAB Cc1ccccc1C1=NO[C@H](C[C@]2(C(=O)O)CCCN(C(=O)CC(C)C)C2)C1 19236929 ZRLSDNXYNNASJW-HTAPYJJXSA-N 386.492 3.618 0 40 GHAB CCOc1cc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)ccc1OC(F)F 11472058 JJSDVDFIZULNJA-UHFFFAOYSA-N 390.430 3.950 0 40 GHAB O=C(Cc1csc(-c2cccc(F)c2)n1)N1CCN(Cc2ccccc2)CC1 32674581 ZIKVCOVKZDPMPZ-UHFFFAOYSA-N 395.503 3.836 0 40 GHAB COc1ccc(CCNC(=O)CSc2ccc(-c3ccccc3)nn2)cc1 4355483 SHZHQFRMKAIPSJ-UHFFFAOYSA-N 379.485 3.603 0 40 GHAB O=C(COc1ccccc1)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 9036887 LGCCYDUUPUQTHQ-UHFFFAOYSA-N 392.480 3.964 0 40 GHAB Cc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1cccnc1)n1nnnc1N2 10336871 OCHVKAABMKPPQK-YADHBBJMSA-N 394.438 3.936 0 40 GHAB Cc1ccc(Nc2nc(N3CCOCC3)nc(N(C)c3ccccc3)n2)cc1C 12235010 BWHKJRBHAPUPIR-UHFFFAOYSA-N 390.491 3.837 0 40 GHAB CCCc1nnsc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 38678168 OMFOPASNSWZTSD-UHFFFAOYSA-N 396.472 3.534 0 40 GHAB O=C(Cc1cccs1)NCCc1csc2nc(-c3ccccc3F)nn12 38668660 UOJAALZWXJHKPM-UHFFFAOYSA-N 386.477 3.560 0 40 GHAB Cc1nn(CCNC(=O)c2ccc(C(F)(F)F)nc2)c(C)c1-c1ccco1 575615716 UBOFPFCGXSEHCN-UHFFFAOYSA-N 378.354 3.604 0 40 GHAB CCS(=O)(=O)c1nc2ccccc2n1Cc1ccc(Br)cc1 4304853 RZUSVHYMSVAVGX-UHFFFAOYSA-N 379.279 3.641 0 40 GHAB Cc1ccc(NC(=O)c2c(O)c3ccccc3n(Cc3ccccc3)c2=O)nc1 100630025 GGTIGXVFCMEPKV-UHFFFAOYSA-N 385.423 3.711 0 40 GHAB C[C@H]1CN(c2ccc(C(=O)N(C)[C@@H]3CCCc4ccccc43)cn2)C[C@@H](C)O1 40087716 XQDDKAXTBJBTOR-LLGFUMIMSA-N 379.504 3.845 0 40 GHAB Cc1ccccc1Cc1cnc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)s1 40111729 YZTWXXOAWWEOOE-QGZVFWFLSA-N 393.516 3.687 0 40 GHAB Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)CS3)cnn1-c1ccc(F)cc1 30615485 KOLCTFATJUKNIX-UHFFFAOYSA-N 382.420 3.616 0 40 GHAB c1ccc(-c2nc3sc4c(N5CCNCC5)ncnc4c3c3c2CCC3)cc1 2402739 LEFGVMUDGWJBEU-UHFFFAOYSA-N 387.512 3.805 0 40 GHAB O=C1c2ccccc2-c2nn(C[C@@H](O)COc3ccccc3F)c3cccc1c23 28917262 CQZPEMCWUUCZFT-CQSZACIVSA-N 388.398 3.827 0 40 GHAB CCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2O)cc1 783870 LWUKVCGJQBUSRO-GOSISDBHSA-N 378.350 3.564 0 40 GHAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)n1C 899457 LLGPOJAFUPZQGD-AWEZNQCLSA-N 382.489 3.918 0 40 GHAB CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)s1 31816757 XXQFTGNBRMCNGT-SNVBAGLBSA-N 398.410 3.672 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1N 1364506 FJWGBJYBRMEHJB-UHFFFAOYSA-N 381.505 3.895 0 40 GHAB CCOC(=O)N1N=N[C@H](c2ccccc2)[C@@]1(c1ccccc1)N1CCOCC1 1720270 AAOMVLZPTXZACL-CTNGQTDRSA-N 380.448 3.752 0 40 GHAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2C)cc1 40915263 LWRPFJDFAFQEHT-HXUWFJFHSA-N 390.443 3.627 0 40 GHAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)N2CCC(C)CC2)C1=O 6455909 JQESRNCWHTYIRF-WOJGMQOQSA-N 397.500 3.771 0 40 GHAB CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 6553210 AQBBWABCWMUBPG-UHFFFAOYSA-N 380.897 3.931 0 40 GHAB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCCC)cc2)C1=O 6650159 XQUXGUSQFFXRTI-VBKFSLOCSA-N 377.462 3.855 0 40 GHAB COC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 7602812 DWEVHGIRUNNMHX-UHFFFAOYSA-N 388.272 3.670 0 40 GHAB Cc1nn(Cc2ccccc2)c2sc(C(=O)O[C@H](C)C(=O)NC(C)C)cc12 8542354 HGMWOUVGPXVZSY-CQSZACIVSA-N 385.489 3.524 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)nc2O)cc1 32778601 QKPZOALCGIPTFO-UHFFFAOYSA-N 388.399 3.562 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(C)c2)CC1 100750078 GVJIDSZJISQISE-LEEZEASISA-N 393.531 3.733 0 40 GHAB C[C@H](OC(=O)CCNC(=O)c1cccs1)C(=O)C12CC3CC(CC(C3)C1)C2 21538236 JOTLQSBCRMIGDV-JHMRYYBSSA-N 389.517 3.585 0 40 GHAB CCc1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2F)c(OC)c1 8339158 JZVPDGRGYAJWEE-UHFFFAOYSA-N 388.468 3.973 0 40 GHAB Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCCCCC3)c(=O)[nH]c2c1 8578926 LILPEJIQTKKVCJ-IBGZPJMESA-N 394.523 3.543 0 40 GHAB Cn1nc(-c2ccco2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)C1CCCCC1 8635404 OOMQJNUUWNSHSG-OTWHNJEPSA-N 396.535 3.554 0 40 GHAB biogenic,in-vitro CCCn1nc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)ccc1=O 32900629 NGUZMOVFMHRARM-UHFFFAOYSA-N 391.431 3.550 0 40 GHAB CN1c2ccc(C(=O)Nc3ccc(F)cc3)cc2-c2ccccc2S1(=O)=O 33088668 CYOSMHUALYGPBI-UHFFFAOYSA-N 382.416 3.884 0 40 GHAB CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cnn(C)c1 52929247 AHJKEHXIDLRZAD-UHFFFAOYSA-N 388.821 3.941 0 40 GHAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(Cl)cc2)n2nnnc2N1 646475 GDBRZJLNZGAIGO-QGZVFWFLSA-N 380.839 3.563 0 40 GHAB O=C1CCc2cc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)ccc2N1 22487712 WKKRAILRLBGLSO-UHFFFAOYSA-N 392.377 3.580 0 40 GHAB CCCNc1nnc(S[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)s1 22762643 OHTWHIQJEXCEDF-GFCCVEGCSA-N 393.538 3.806 0 40 GHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1cccnc1 12484246 MFMJWTUJIOWNPE-UHFFFAOYSA-N 380.275 3.808 0 40 GHAB CCCn1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 12556683 PRFGISBHXGQMDJ-CQSZACIVSA-N 380.423 3.577 0 40 GHAB O=C(c1ccco1)N1CCN(Cc2c(-c3ccccc3)nc3ccccn23)CC1 23935967 VLVWXXBYPILJCV-UHFFFAOYSA-N 386.455 3.552 0 40 GHAB Cc1nc(-c2cc(Br)cs2)sc1C(=O)Nc1ccn(C)n1 55049100 HKKNOOPBBXOQPL-UHFFFAOYSA-N 383.296 3.928 0 40 GHAB CC(=O)Nc1cccc(-n2c(C)nnc2S[C@H](C)C(=O)Nc2ccccc2)c1 12539934 IKOMGRRLRQIMCW-CYBMUJFWSA-N 395.488 3.653 0 40 GHAB CN(CCNC(=O)Cc1csc(COc2ccc(F)cc2)n1)c1ccccc1 12539361 TVGHJSKPWYIKJD-UHFFFAOYSA-N 399.491 3.656 0 40 GHAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)cc3)o2)c1 96012198 JXKXYTPBDIQPJO-HBIPHATFSA-N 397.500 3.551 0 40 GHAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(=O)n(Cc2ccccc2)n1 12568972 LRASKTGYNPXRHA-UHFFFAOYSA-N 388.452 3.667 0 40 GHAB CC(C)[C@H](CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)N1CCOCC1 25327458 FSKGHHLWDYYQQQ-NRFANRHFSA-N 386.467 3.705 0 40 GHAB O=C1CCCN1C[C@H](NCc1csc(-c2ccccn2)n1)c1ccccc1 47795041 ZWAVRDGCRVDWJB-IBGZPJMESA-N 378.501 3.658 0 40 GHAB CSc1nc2ccsc2c(=O)n1CC(=O)Nc1cccc(C(F)(F)F)c1 57504774 QCEULLFLFGMMNZ-UHFFFAOYSA-N 399.419 3.837 0 40 GHAB COc1cc(OC)c(N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1Cl 57713545 GCDLVYOJCYMGDV-LBPRGKRZSA-N 380.847 3.955 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 57958652 JQRGRKKUIOSSJT-ZWKOTPCHSA-N 395.400 3.732 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)Nc3ccnn3Cc3ccsc3)cc2NC1=O 58163556 BSVKSEDRPOYSDK-NSHDSACASA-N 384.486 3.678 0 40 GHAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc(CN2CCCC2=O)cc1 10219479 VLMGQWUSEYIPQM-UHFFFAOYSA-N 377.488 3.657 0 40 GHAB CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(OC)cc2)cc1 409108378 XCJUUATUMWVGCD-UHFFFAOYSA-N 398.488 3.714 0 40 GHAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1C 10322207 RERSZHXSYSXTRF-UHFFFAOYSA-N 398.466 3.987 0 40 GHAB Fc1ccc(OCc2cn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1 45221644 GTCSSKAXSRQURW-UHFFFAOYSA-N 399.403 3.817 0 40 GHAB CCCS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 3331778 DYHVSGZVWODSDO-LJQANCHMSA-N 385.533 3.695 0 40 GHAB COc1cc(Br)c(OC)c(C(=O)Nc2ccc3nc(C)[nH]c3c2)c1 12763337 CGCDHYXMRFSVAS-UHFFFAOYSA-N 390.237 3.903 0 40 GHAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCN(Cc2ccccc2)CC1 12898370 KOBIHUXZWZYGKV-UHFFFAOYSA-N 395.503 3.836 0 40 GHAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc2c(c1)OCCO2 408625745 FKLWCTXHCOCFHG-UHFFFAOYSA-N 394.452 3.746 0 40 GHAB CC(=O)c1ccccc1NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1 3489591 HGSTZQAXHAKYQU-UHFFFAOYSA-N 379.334 3.632 0 40 GHAB CC(=O)c1cccc(NC(=O)COc2ccc(NC(=O)c3ccco3)cc2)c1 3440723 UCUGRCJWEYHKRU-UHFFFAOYSA-N 378.384 3.752 0 40 GHAB CCN(CC(=O)NC(C)(C)C)C(=O)Cc1sc(C)nc1-c1ccc(C)cc1 12985141 NXCVWJCYXDNZHW-UHFFFAOYSA-N 387.549 3.733 0 40 GHAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NC[C@@H]4CCCO4)c(C)c32)c1C 4089360 PQEUWLDLHLRDJW-HNNXBMFYSA-N 383.444 3.611 0 40 GHAB biogenic CCOc1ccc(NC(=O)Cn2c(C)nc3cc4c(cc32)OCCCO4)cc1 14000702 NNPWLRQMTHUHCW-UHFFFAOYSA-N 381.432 3.543 0 40 GHAB Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3ccccc3Cl)n2)cc1 4599397 MTBYWNNTCFCMGK-VMPITWQZSA-N 386.864 3.683 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)COc1ccc(Br)cc1CO 5468421 OMZRFQAJJJIJRH-UHFFFAOYSA-N 384.657 3.921 0 40 GHAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc(OCc2ccccc2)cc1 6582255 PPFBSEBGYDRFMC-UHFFFAOYSA-N 391.452 3.676 0 40 GHAB COC(=O)Cc1cc(OC(=O)c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 6509752 XLEJRSGDEASOCE-UHFFFAOYSA-N 388.782 3.600 0 40 GHAB COc1ccc(Br)cc1CN(C)C(=O)NCc1ccc(F)cc1 30980002 JSJKLOHPZUTCFJ-UHFFFAOYSA-N 381.245 3.938 0 40 GHAB CC(C)c1ccc(NC(=O)CCCC(=O)N2CCN(c3ccccn3)CC2)cc1 4742755 ZJQWXZRAONYAGX-UHFFFAOYSA-N 394.519 3.663 0 40 GHAB CCc1ccc(O)c(NC(=S)NC(=O)COc2ccc3ccccc3c2)c1 5611003 DGZOWJWDFCDVEO-UHFFFAOYSA-N 380.469 4.000 0 40 GHAB Cc1cccc2c(=O)n(CCCC(=O)NC34CC5CC(CC(C5)C3)C4)cnc12 8924085 XJUCUEINHYYYBD-UHFFFAOYSA-N 379.504 3.570 0 40 GHAB O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 8992329 IRXSPLXZHXFCDA-QGZVFWFLSA-N 395.890 3.990 0 40 GHAB Cc1ccc(CNC(=O)COC(=O)c2ccc(Br)cc2)cc1C 67197428 BALAXYVYMIZDHB-UHFFFAOYSA-N 376.250 3.539 0 40 GHAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1-c1ccccc1 15913460 RMJIABQKEPNUAO-UHFFFAOYSA-N 398.418 3.991 0 40 GHAB Cc1ccc(-c2nnc(NC(=O)c3cccc(C[S@](C)=O)c3)s2)c(C)c1 68438269 UMKNPJGAZQLZGM-AREMUKBSSA-N 385.514 3.953 0 40 GHAB Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccnn1C1CCCC1 8160251 HXCYCSAXBPYWJE-UHFFFAOYSA-N 396.520 3.927 0 40 GHAB O=C(Cc1cccs1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 8150719 DTBUVFPVLNHCGP-UHFFFAOYSA-N 398.937 3.757 0 40 GHAB COc1ccc(-c2c(NC(C)=O)noc2-c2cc(OC)c3c(c2)OCCO3)cc1 96336545 KPGZHUDPMUFUIJ-UHFFFAOYSA-N 396.399 3.755 0 40 GHAB CC(C)COC(=O)NCCC(=O)Nc1ccc(Cl)c(Br)c1 409005352 ZOLVNAJNUMDANH-UHFFFAOYSA-N 377.666 3.813 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)NCCCc2nc(C)cs2)c(OC)c1 84268259 KOXPAQCTLWZDHJ-QGZVFWFLSA-N 389.521 3.948 0 40 GHAB CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC(Oc2ccccn2)CC1 72308077 ZLOFYIJDCVMYED-UHFFFAOYSA-N 381.520 3.752 0 40 GHAB C[C@@H](OC(=O)c1cnc(Cl)c(N)c1)c1nc(-c2ccc(Cl)cc2)no1 95452622 MEMXDBHWRBDLAJ-MRVPVSSYSA-N 379.203 3.939 0 40 GHAB Cc1cc(-n2cncn2)ccc1C(=O)Oc1ccc([C@@](C)(O)C(F)(F)F)cc1 79110386 UWVJPTVDNFKTRU-GOSISDBHSA-N 391.349 3.565 0 40 GHAB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)NC1CCCCC1 21312962 LWFATKZKDYBMIQ-GHRIWEEISA-N 382.464 3.941 0 40 GHAB Cc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccco2)CC[C@@H](C)C3)n(C)n1 89591727 ZXFPWNKMDJXPBG-LLVKDONJSA-N 383.473 3.991 0 40 GHAB O=C(NCc1ccccc1)c1nc(-c2ccnn2-c2ccccc2)n2ccncc12 306140118 UKMVEIZHEORUGP-UHFFFAOYSA-N 394.438 3.512 0 40 GHAB CSc1nc2cc(C)n(CC(=O)Nc3ccccc3)c2c(=O)n1CC(C)C 67319978 IUMBPPZLXHIISV-UHFFFAOYSA-N 384.505 3.523 0 40 GHAB Cc1cccc(N2N=C(C(=O)N3CCc4c(F)cc(F)cc4[C@@H]3C)CCC2=O)c1 1517572089 NAFKTIXAODBIGU-AWEZNQCLSA-N 397.425 3.902 0 40 GHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccccc2OC(C)C)C1=O 409328963 BECWKUPQRHXNNY-YDRQLGOLSA-N 377.462 3.852 0 40 GHAB Cc1ccc(N2C(=O)CCC2=O)cc1NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 528380862 OOTCHCXDGPOPOJ-ROUUACIJSA-N 380.419 3.920 0 40 GHAB CC(C)CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O 5843253 XENJKSRIIWALAV-NFBKMPQASA-N 387.483 3.509 0 40 GHAB biogenic NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(I)c1 216820248 IZHXSPYHMSCTQK-UHFFFAOYSA-N 387.604 3.623 0 40 GHAB O=C(Nc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 35312262 AGLXYQHOBDMDPK-CYBMUJFWSA-N 396.871 3.519 0 40 GHAB CC(=O)c1c(C)cc(C)c(CN2C(=O)N[C@](C)(c3cc(C)oc3C)C2=O)c1C 72066149 NTZRXDINMDUQHO-JOCHJYFZSA-N 382.460 3.992 0 40 GHAB C=CC(=O)Nc1cccc(C(=O)N2CCN(Cc3ccccc3)[C@H](CC)C2)c1 1567414108 MARVYKXRWKPKQR-OAQYLSRUSA-N 377.488 3.548 0 40 GHAB CC(=O)Nc1ccc(Oc2nccnc2C2CCN(C3CCOCC3)CC2)cc1 72362858 WBHMAXQFWFOJSN-UHFFFAOYSA-N 396.491 3.586 0 40 GHAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc(F)cc(F)c1 71980533 WJRMESBGZOOZJT-WGAFOPHPSA-N 381.419 3.823 0 40 GHAB CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220568100 OEGMFSRATHMTDM-FQEVSTJZSA-N 392.565 3.855 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 223935889 PYOKPORQYVBGKD-JXXFODFXSA-N 384.501 3.714 0 40 GHAB CSc1ncc(-c2nnsc2C(=O)O[C@@H](C)CCc2ccccc2)cn1 223854732 OQLHDSXRYPHSGE-LBPRGKRZSA-N 386.502 3.895 0 40 GHAB Cc1cccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c1C 225950484 JIOYHBVLLWQFKN-KRWDZBQOSA-N 380.897 3.576 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 225028124 WQUMCVLKDUMNGF-IBGZPJMESA-N 396.531 3.880 0 40 GHAB COc1ccc(CCC(=O)NCc2cc(F)ccc2Br)cc1OC 48364488 GETOJSJHXDNPIL-UHFFFAOYSA-N 396.256 3.854 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 224125496 KXVQAWYXZJCRJM-NRFANRHFSA-N 396.531 3.934 0 40 GHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(OCC)cc2)c(C)c1 224606580 FSXNRAWNSSLTPE-UHFFFAOYSA-N 391.489 3.786 0 40 GHAB CN1CCN(C(=O)C2(Cc3ccc(F)cc3)CCOCC2)C[C@H]1c1ccccc1 257278522 OCOUJOKFDIXNSL-QFIPXVFZSA-N 396.506 3.680 0 40 GHAB Cc1ncsc1-c1ccc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCCN3C)cn1 257205633 AZYLLQQFUJOYHA-RXVVDRJESA-N 384.549 3.993 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N3CCC[C@H](C)C3)c2)cc1 260565757 UBGGTXGQUQVPJJ-KRWDZBQOSA-N 386.517 3.692 0 40 GHAB CC(C)(C)n1nnc(C(=O)N(Cc2cccs2)c2ccc(F)cc2F)n1 622787444 OQSUVWBOCKDMQE-UHFFFAOYSA-N 377.420 3.615 0 40 GHAB O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1cc(-c2ccccc2)on1 96103743 PHAIMADXKLAMSB-UHFFFAOYSA-N 390.365 3.864 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)NCc1cc(C2CC2)n(C2CCCC2)n1 96104105 KRINZWFAJSRKPJ-UHFFFAOYSA-N 389.521 3.671 0 40 GHAB Cc1c(-c2nc(Cc3cccc(F)c3)no2)nnn1CCOc1ccc(F)cc1 507752743 BZIHSJGYWZBHAC-UHFFFAOYSA-N 397.385 3.585 0 40 GHAB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 5234804 ZEUFTMUJVVNNTH-OAHLLOKOSA-N 387.443 3.598 0 40 GHAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccccn3)ccc12 5272202 BDYXHFWGLDXODI-OAHLLOKOSA-N 380.444 3.533 0 40 GHAB O=C(C1CC1)N1CCCc2cc([C@H](O)CN3CCC(C(F)(F)F)CC3)ccc21 12291531 MYJQQIFPXGYGRN-LJQANCHMSA-N 396.453 3.684 0 40 GHAB COc1ccccc1C1(O)CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 12330692 VUYNZRLSOCWRML-UHFFFAOYSA-N 381.451 3.504 0 40 GHAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCN(C(=O)c2cccs2)C1 12947363 GNGBKOHKSQJBQM-LBPRGKRZSA-N 375.519 3.574 0 40 GHAB CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccc2c3c(cccc13)CC2 14703024 YABSBJMUPZYELR-UHFFFAOYSA-N 377.415 3.893 0 40 GHAB c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1 19369585 BCEMHADMTHMVGL-QFIPXVFZSA-N 388.519 3.700 0 40 GHAB Cc1c(-c2cc(C(=O)Nc3ccccc3CN3CCCCC3)on2)cnn1C 19554261 VZCMAJAKAPKAGR-UHFFFAOYSA-N 379.464 3.622 0 40 GHAB C[C@H]1Cc2cc(CN(C)C(=O)C3(c4ccccc4F)CCOCC3)ccc2O1 19662278 HNXCGCUQRHVANQ-INIZCTEOSA-N 383.463 3.856 0 40 GHAB CC(C)(CN1CCCCC1)NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 19715333 HNNHORRRNKWNSF-UHFFFAOYSA-N 391.466 3.539 0 40 GHAB CC[C@@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 19946937 IJSOSYJTIBSNFO-GOSISDBHSA-N 388.533 3.722 0 40 GHAB O=C(c1nc2ccc(F)cc2[nH]1)N1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21 19373890 DMNHLYWBTJYZBM-DUXKGJEZSA-N 392.478 3.842 0 40 GHAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1nc(Cl)ccc1Cl 31194645 KGPHKOLQLSTVRB-UHFFFAOYSA-N 378.259 3.553 0 40 GHAB Cc1cnc(Nc2ccnc(C[C@@H]3CCN(C(=O)C4CCCCC4)C3)n2)s1 2037835014 RBEJYKYZNPDUKD-HNNXBMFYSA-N 385.537 3.956 0 40 GHAB CCOc1ccc2nc(N(CCN(C)C)C(=O)COc3ccccc3)sc2c1 5115195 CATBPMFPLQCVFZ-UHFFFAOYSA-N 399.516 3.669 0 40 GHAB COC(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1 5269868 YGGVAJPFPUXGPY-UHFFFAOYSA-N 396.830 3.589 0 40 GHAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCc1cc(C)ccc1C 5255068 AKOHLYCFPOTJFK-UHFFFAOYSA-N 392.455 3.913 0 40 GHAB CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 12442916 GGEKNERZZFHMIN-UHFFFAOYSA-N 383.498 3.901 0 40 GHAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)NCCC1=CCCCC1 23138486 KXARQMIFQPXQNO-UHFFFAOYSA-N 397.544 3.920 0 40 GHAB COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCN(C(C)C)C2 4086925 KSMJVHHISZPZFP-UHFFFAOYSA-N 388.489 3.562 0 40 GHAB Cc1ccc(CCC2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)CC2)cc1 28743212 HDZDUJXZWYBDEH-OAQYLSRUSA-N 394.515 3.808 0 40 GHAB Cc1c(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)oc2ccc(F)cc12 28719346 QEBMMLMFSSNCGC-UHFFFAOYSA-N 392.312 3.872 0 40 GHAB CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)N2C(=O)[C@H](C)SC2=N1 2463327 LFFLCFDLZGJMTJ-LRDDRELGSA-N 376.453 3.674 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2ccc(NC(C)=O)cc2)N2CCCCC2)cc1 7988341 RJDOYXXIJHAGLW-JOCHJYFZSA-N 395.503 3.611 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N(C(C)C)C(C)C)n2C)c1C 896640 RLJFHEOJJFYKCK-UHFFFAOYSA-N 390.553 3.748 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C)n2C)cc1 903571 ZHTKSSBQYDBNQK-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C[C@H]1CCCO1)Nc1ccc(Cl)cc1 1364631 GZWOACYVJIREAZ-OAHLLOKOSA-N 392.912 3.719 0 40 GHAB CCOP(=O)(OCC)O[C@@H]1c2[nH]ccc2-c2cc(C(=O)OC)[nH]c2[C@H]1OC 1647569 DIKOMQSMOOPQHM-HZPDHXFCSA-N 398.352 3.736 0 40 GHAB 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C[C@@H](NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 102173133 XQLHWZOQIZDHBW-UKTARXLSSA-N 381.505 3.539 0 40 GHAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1 32754916 BOAHFNMYGDJQOD-UHFFFAOYSA-N 387.482 3.558 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)nc2O)cc1 32778622 JMLPFFGGAWLWFP-UHFFFAOYSA-N 396.472 3.600 0 40 GHAB COC(=O)c1ccc(CN[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 57369263 WQZBTIPQKGMGIQ-KRWDZBQOSA-N 395.503 3.580 0 40 GHAB CC[C@@H](NC(=O)CN(C)CC(=O)Nc1c(C)cccc1C)c1ccc(C)cc1 8092639 FLLPUSORVQGCQI-HXUWFJFHSA-N 381.520 3.750 0 40 GHAB COC(=O)c1sccc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 21589392 DEFWVRQGQFGKAA-UHFFFAOYSA-N 378.837 3.567 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)cc1 8433696 JVDHYWQMYKCPKK-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB Cc1ccccc1C(=O)N[C@H](C(=O)NCC1(c2ccccc2)CCC1)C(C)C 32882317 ROAKPMZFJKFVRR-NRFANRHFSA-N 378.516 3.988 0 40 GHAB Cc1c(NC(=O)c2ccc(Cl)c3cccnc23)c(=O)n(-c2ccccc2)n1C 29735673 KGYNVKXDFPKOFG-UHFFFAOYSA-N 392.846 3.938 0 40 GHAB Cc1ccc(-c2c(C)sc3nc(CN4C[C@@H](C)O[C@H](C)C4)[nH]c(=O)c23)cc1 21742882 JPCNPMACVHYJKA-ZIAGYGMSSA-N 383.517 3.878 0 40 GHAB CCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(C)cc1C 57488677 WLAWXTAIIWLQSF-UHFFFAOYSA-N 387.530 3.682 0 40 GHAB CCN(CC(=O)NCc1ccc(C)cc1)CC(=O)Nc1cc(Cl)ccc1C 9377457 ITEYHPRFBMXSGK-UHFFFAOYSA-N 387.911 3.534 0 40 GHAB COc1cc2c(cc1OC)Cn1c(c(OC(C)=O)n(-c3ccccc3)c1=S)C2 9482605 OCULSUMBSQTTNO-UHFFFAOYSA-N 396.468 3.903 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1 9694952 OUDLQGCGRXVZPG-ZDUSSCGKSA-N 380.897 3.810 0 40 GHAB C[C@H]1CCc2sc(C(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)cc2C1 41815229 CLVOOFPFXKRBHU-WCQYABFASA-N 375.519 3.573 0 40 GHAB Cc1nc(-c2ccc(NC(=O)[C@@H](Cc3ccccc3)n3cnnn3)cc2)cs1 25575638 JUQLRIMULSFCRQ-LJQANCHMSA-N 390.472 3.528 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCC2)N1CC=C(c2c[nH]c3ncccc23)CC1 22475623 NBZAOEDNKBQELC-UHFFFAOYSA-N 379.485 3.530 0 40 GHAB Cc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1C 824318 SXYPWWZENZAMAF-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCCC4)c3N2)c1 884211 VCUQYMPHIATLAO-HZPDHXFCSA-N 394.397 3.788 0 40 GHAB O=C(COC(=O)C1(c2cccc(Cl)c2)CCCCC1)NCC(F)(F)F 22978238 SFIZRNPAEXLINO-UHFFFAOYSA-N 377.790 3.764 0 40 GHAB CCOC(=O)c1cc(CC)sc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 23686449 UDJGDDYIOAURDY-UHFFFAOYSA-N 399.472 3.609 0 40 GHAB Cc1ccc(OS(=O)(=O)c2ccc3oc(=O)ccc3c2)c2c1[C@H](C)CC2=O 25672351 JTDQIPXPZFHHSU-GFCCVEGCSA-N 384.409 3.559 0 40 GHAB Cc1oc(C)c(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)c1C 56995182 VZDZBVPWOJMXRA-UHFFFAOYSA-N 383.536 3.533 0 40 GHAB O=C(CCn1cnc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12579988 XBBDRACFQOFRLL-SFHVURJKSA-N 377.444 3.561 0 40 GHAB COc1cccc(-c2cc(C(=O)NCc3ccc(Br)cc3)n[nH]2)c1 57413801 YNDKQPXQSYQDTI-UHFFFAOYSA-N 386.249 3.778 0 40 GHAB COc1ccc(OC)c(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c1 2112426 IDHMVVVSDVVPOY-UHFFFAOYSA-N 379.412 3.655 0 40 GHAB biogenic COc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1Cl 27794112 DNANRVNCQAPOGX-UHFFFAOYSA-N 396.877 3.614 0 40 GHAB CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cccc(F)c3)cc2)CC1=O 10461901 ZHQVRAQAVLIUTB-MRXNPFEDSA-N 397.450 3.665 0 40 GHAB COc1ccc(NC(=O)c2cc(Br)c(Br)s2)cn1 37868437 BXZQITMVTOBRRT-UHFFFAOYSA-N 392.072 3.929 0 40 GHAB O=C(COc1ccccc1F)Nc1cccc(-c2nnc3n2CCCCC3)c1 3353072 QLUCWSBHRIZYHW-UHFFFAOYSA-N 380.423 3.828 0 40 GHAB C[C@H](OC(=O)Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C 36416305 KNVGPEZGPPDQEJ-HEHGZKQESA-N 382.298 3.618 0 40 GHAB CC(C)c1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1 3314767 JSDYLHNAMKMLPF-UHFFFAOYSA-N 380.444 3.732 0 40 GHAB CCOc1ccccc1-n1nnnc1S[C@H](C(=O)Nc1ccccc1)C(C)C 12721503 WZXDGMBUPKFMBC-SFHVURJKSA-N 397.504 3.816 0 40 GHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 12775916 ASOPTHDEGSQBGB-SNVBAGLBSA-N 388.272 3.803 0 40 GHAB O=C(OCC(=O)c1cccs1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 3480917 DKXISTXAWZYCFJ-UHFFFAOYSA-N 391.404 3.588 0 40 GHAB COC[C@@H](C)n1c(SCC(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O 3403252 TZXBSRFVHDJNIJ-OAHLLOKOSA-N 397.500 3.643 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1 12927259 KDRISBWGSZHHRQ-GASCZTMLSA-N 389.521 3.792 0 40 GHAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCc1cccc(Cl)c1 49549650 BEEAFBNSKVZKMS-UHFFFAOYSA-N 382.847 3.548 0 40 GHAB Cc1cc(OC(=O)[C@@H](C)NC(=O)OCc2ccccc2)c2c(C)cc(=O)oc2c1 6076288 QUWGXIGLUJREOP-OAHLLOKOSA-N 395.411 3.630 0 40 GHAB biogenic O=C(Nc1cccnc1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 6244635 AGLMSXHTTUWGMJ-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB O=C(CCc1ccccc1)N1CC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306123293 AJHYGQITRHHOHQ-NRFANRHFSA-N 397.482 3.740 0 40 GHAB CCc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1 15065450 SGJMISOKPTWCGI-SFHVURJKSA-N 377.492 3.592 0 40 GHAB O=C(/C=C/c1ccco1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 6930560 OOGYJKXWDASVIC-CSKARUKUSA-N 376.368 3.913 0 40 GHAB Cc1cccc(-n2c(=O)c3sccc3n(Cc3cc(F)ccc3F)c2=O)c1 67258156 ADADJCCWTNFCEX-UHFFFAOYSA-N 384.407 3.849 0 40 GHAB CN(Cc1ccsc1)C(=O)CN1CCN(Cc2cccc3ccccc23)CC1 22790312 QLIRJOIQCDDEGO-UHFFFAOYSA-N 393.556 3.678 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)s2)cc1 80329187 JOLXPCXTAYUSQX-HRAATJIYSA-N 386.517 3.894 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCCCC2)o1 15860206 WVQLIXRFZJCPPB-ZDUSSCGKSA-N 381.270 3.901 0 40 GHAB COc1cc(C)c(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1OC 15857319 SDARVETWSMXKCX-IBGZPJMESA-N 380.444 3.915 0 40 GHAB Cc1cccc(NC(=O)c2ccccc2S[C@@H]2CCS(=O)(=O)C2)c1C 7783730 OLLGWIMZBGWGOC-OAHLLOKOSA-N 375.515 3.835 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccc(F)cc2)c(OC)c1 16382332 VMGNISGCRKABAB-HXUWFJFHSA-N 386.467 3.638 0 40 GHAB Cc1nnc(-c2ccc(C(=O)NC[C@@H](C)c3nc(-c4ccccc4)no3)cc2)o1 89736382 XMZUYLONSLFEFZ-CYBMUJFWSA-N 389.415 3.629 0 40 GHAB Cn1c(=O)n(C)c2cc(NC(=O)CSc3cccc4ccccc34)ccc21 408543498 PMYBIJZSBJMXRQ-UHFFFAOYSA-N 377.469 3.761 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](CN(C)C1CCN(C)CC1)c1ccccc1 75572903 CBECBVPLNIGGLQ-QIJUGHKUSA-N 386.584 3.632 0 40 GHAB O=C(NCC(F)(F)F)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl 84579528 ZHJLRQWLTAKROX-INIZCTEOSA-N 396.796 3.586 0 40 GHAB O=C(NCc1nc(C(=O)O)cs1)OCC1c2ccccc2-c2ccccc21 97658109 HAICMYLWDHNVBL-UHFFFAOYSA-N 380.425 3.880 0 40 GHAB COc1ccc2c(c1)CCN2C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 95390014 CLRZVCOOZOQDGF-LLVKDONJSA-N 393.270 3.710 0 40 GHAB Cc1cc([C@]2(C)NC(=O)N(Cc3nc(-c4cccs4)oc3C)C2=O)c(C)o1 78404031 UAKPBWZAWIKLES-IBGZPJMESA-N 385.445 3.889 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc1C(F)(F)F 79307599 IIACZQMDEHGBMR-YOEHRIQHSA-N 377.366 3.567 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)Nc1ccc(F)cc1F 409317679 RFPYGSBCDJSJIJ-VIZOYTHASA-N 392.358 3.779 0 40 GHAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1ccc(Br)cc1 20151947 RADKWSGTAYVRAZ-UHFFFAOYSA-N 393.262 3.583 0 40 GHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1 408705659 KRZSRJXPHUYNNI-UHFFFAOYSA-N 376.478 3.512 0 40 GHAB COc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)OC(C)C)[nH]c2c1 20197213 KKQTXHLSIBYBJR-UHFFFAOYSA-N 399.472 3.868 0 40 GHAB CCc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 22361795 DJVIBTAGDSEFLP-QGZVFWFLSA-N 388.533 3.509 0 40 GHAB CCOC(=O)N1CCC(C(=O)N[C@@H](CC)C23CC4CC(CC(C4)C2)C3)CC1 36752619 IMRFZOUZWYSDOW-QPRVAFDKSA-N 376.541 3.966 0 40 GHAB CCOc1ccccc1CNC(=O)c1ccccc1I 38754203 ISJYIPGBKPGTAT-UHFFFAOYSA-N 381.213 3.620 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc(OC(C)C)c(OC)c1 219556682 NYBQFFQVVRZHLG-QGZVFWFLSA-N 387.476 3.965 0 40 GHAB Cc1nccn1-c1cncc([C@@H]2CCCN2C(=O)CCCc2ccccc2)n1 72378556 HUTPMBBBNYCLTE-FQEVSTJZSA-N 375.476 3.657 0 40 GHAB Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)n2)cc1 35318827 DSRFSOCPVPDEDT-INIZCTEOSA-N 377.400 3.751 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@H]2CCCCN2C(=O)c2cnn(C)c2C)n1 72384052 PZRJGDDMSXCPSO-LJQANCHMSA-N 391.475 3.987 0 40 GHAB O=C(Nc1ccccc1C(F)F)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 567261623 ADQLMTPJGWDGIX-QGZVFWFLSA-N 399.401 3.810 0 40 GHAB COC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)c1 216238137 WDIHTSKUXSPSCL-LBPRGKRZSA-N 375.446 3.610 0 40 GHAB O=c1ccc(-c2nc(-c3ccccc3Cl)no2)cn1Cc1noc(C2CC2)n1 77200469 UXQHTNICFMILAW-UHFFFAOYSA-N 395.806 3.527 0 40 GHAB CC(C)[C@@H](C(=O)N1CCc2ccc(O)cc2C1)n1cnc2cc(F)c(F)cc21 61621506 ALJVJRIUTIHYGL-FQEVSTJZSA-N 385.414 3.802 0 40 GHAB CCOC(=O)c1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 225288721 GPBKWSPLQQMGOX-UHFFFAOYSA-N 377.444 3.977 0 40 GHAB O=C(NCCSc1nc(-c2ccccc2)n[nH]1)c1cc(-c2ccccc2)on1 225897989 QHLAMJXKMFVNIA-UHFFFAOYSA-N 391.456 3.649 0 40 GHAB O=C(c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 48354353 UGJGANHRDDHLIO-UHFFFAOYSA-N 399.224 3.870 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1Cl 220470750 YRGHQKBIKPGMJM-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)COc1ccccc1 224052478 AWICCWSTQXLUBX-MRXNPFEDSA-N 386.467 3.537 0 40 GHAB O=C(O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cccs1 225136360 LEWBWVDPOJLUGF-UHFFFAOYSA-N 399.799 3.700 0 40 GHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCSc1ccccc1 223462422 DRVXKLZHFJDDGN-HXUWFJFHSA-N 384.545 3.765 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 224867938 ZDRMILOEKYVQIT-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB COc1cc(C(=O)N2CCS/C2=C/c2csc(C)n2)cc(OC)c1OC 225258480 RPXDJGGUUPREIG-CXUHLZMHSA-N 392.502 3.665 0 40 GHAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H]1COc2ccccc2C1 195586084 NUAZOEMVRROFEB-INIZCTEOSA-N 398.459 3.903 0 40 GHAB Cn1c([C@H](O)[C@H](O)c2nc3cc(Cl)ccc3n2C)nc2cc(Cl)ccc21 82086823 NKIIKDLWWOWLJX-IYBDPMFKSA-N 391.258 3.534 0 40 GHAB Cc1cc(C(=O)N2CCC(Oc3ncccc3Br)CC2)c(C)o1 96096969 SCBLGCNDWZVZDY-UHFFFAOYSA-N 379.254 3.738 0 40 GHAB O=C(CCc1ccccc1)N1CCC(Oc2ncccc2Br)CC1 96096963 NEYJXRSZOHCTDH-UHFFFAOYSA-N 389.293 3.847 0 40 GHAB COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)O[C@@H]1CC[C@H](C)[C@@H](C)C1 245231677 HUYGQRAVZXPWSL-AEVLCDIHSA-N 388.533 3.856 0 40 GHAB COc1ccccc1[C@]1(O)CCC[C@@H]2CN(Cc3cnc(C(C)C)nc3)C[C@H]21 248205044 ZMAOSUYZYDLIEB-KKLQWCBXSA-N 381.520 3.728 0 40 GHAB O=C1COCCN1Cc1nc(C2(c3cc(Cl)ccc3Cl)CCCC2)no1 585084286 AOCKDCPKMXGDRD-UHFFFAOYSA-N 396.274 3.595 0 40 GHAB CN(C)CCOc1cccc(CN(C)Cc2cnc([C@H]3CCCO3)s2)c1 585084629 VBRDYPPGJOIHLF-LJQANCHMSA-N 375.538 3.567 0 40 GHAB Cc1nc[nH]c1CN(C)[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O 257343920 ZUYFKBVRSQSJGQ-UVVBHOOISA-N 383.536 3.785 0 40 GHAB O=C(c1cnc2ccccc2c1)N1CCC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 257252900 JWOXKLDKPCEFKZ-INIZCTEOSA-N 398.470 3.510 0 40 GHAB CCOc1ccccc1S(=O)(=O)Nc1cccc(-c2cnc3n2CCC3)c1 90655242 QTZJYQKPRYOMFX-UHFFFAOYSA-N 383.473 3.696 0 40 GHAB Cc1ccc(-c2nnc(CN3CCCC[C@H]3CNC(=O)OC(C)(C)C)o2)cc1 50962697 RZKLTCAMSBEYFS-KRWDZBQOSA-N 386.496 3.924 0 40 GHAB COC(=O)N(C)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 56448687 AFVSOVXRRHIPLL-NSHDSACASA-N 385.445 3.574 0 40 GHAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1 72354686 JSMDPAPKNJJKLV-FQEVSTJZSA-N 388.471 3.641 0 40 GHAB O=C(NC[C@@](O)(c1ccccc1Cl)C(F)(F)F)c1coc2cc(O)ccc12 1648298498 GOFNHTVFCJSUTG-QGZVFWFLSA-N 399.752 3.972 0 40 GHAB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 8092008 AFSJSDHYFVQAHQ-ZSOIEALJSA-N 393.873 3.974 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)c1cccc(I)c1 5510806 TXTDRZMXOBTOLQ-NSHDSACASA-N 381.213 3.791 0 40 GHAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1cccc(Br)c1 11137514 PBVVRKFPJVCTOF-PBWFPOADSA-N 379.250 3.570 0 40 GHAB COc1ccc(CN2CCC(c3nc(O)cc(-c4cccnc4)n3)CC2)c(F)c1 12234363 UVJOPSPPIRQAMX-UHFFFAOYSA-N 394.450 3.772 0 40 GHAB COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccccc2)o1 12249503 ZEXYWLNRTDLGAG-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)NC1CCCC1 13841946 ZNXOLOHQUDVSNZ-UHFFFAOYSA-N 394.928 3.681 0 40 GHAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1[nH]c3ccccc3c1Cl)C2 19375983 KFKCVVFPCWRFQZ-UHFFFAOYSA-N 391.862 3.525 0 40 GHAB CC(C)c1cc(C(=O)N(C)C2CCC3(CC2)CN(C)Cc2ccccc2O3)[nH]n1 19451714 FVRABIBNBVFYRL-UHFFFAOYSA-N 396.535 3.811 0 40 GHAB CN1CCN(C(=O)C2CCC2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19589414 GBTGHQJRZZVLJS-JOCHJYFZSA-N 376.500 3.613 0 40 GHAB CCn1cc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccccc2)cn1 19687452 GTXROYOZMKXYSH-FQEVSTJZSA-N 376.508 3.763 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19704507 IHMTUUNQKUUJIF-MRXNPFEDSA-N 397.425 3.826 0 40 GHAB CCCOc1ccccc1-c1cc(C(=O)N2CCC(N3CCCC3)CC2)[nH]n1 19715588 GIAUVGDDIKWPOZ-UHFFFAOYSA-N 382.508 3.566 0 40 GHAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 19135398 GMCAMMSESUWYFU-HXUWFJFHSA-N 394.519 3.625 0 40 GHAB CN1CCN(Cc2cccnc2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19589439 AIXGRPOGCBNRPZ-XMMPIXPASA-N 385.511 3.882 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4ccccn4)C3)cc2N1 19574614 MHRZZLXTCCIWSB-DVOMOZLQSA-N 393.413 3.605 0 40 GHAB CCOCc1cc(CN2C[C@@H]3CCCN3C[C@@H]2CCSC)ccc1OC 19531189 AIIRGZOGTHLWBR-PMACEKPBSA-N 378.582 3.633 0 40 GHAB CCOc1cc(C(=O)OCc2c(C)noc2C)cc(Br)c1OC 5212352 NEFNJIMKZONMCH-UHFFFAOYSA-N 384.226 3.818 0 40 GHAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12907227 XZZFNYOPJVGFRF-UHFFFAOYSA-N 398.528 3.523 0 40 GHAB CCOc1ccc(NC(=O)NC2CN(c3cc(C(F)(F)F)ccn3)C2)cc1 1888897655 NVLGLLBEDZQOAD-UHFFFAOYSA-N 380.370 3.509 0 40 GHAB FC(F)c1cc(N2CCN(c3nc4cnccc4s3)CC2)nc(C2CC2)n1 1888904010 OQTIUMXNESPJLQ-UHFFFAOYSA-N 388.447 3.623 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cc2c(cc1Cl)OCCCO2 26985190 FHLFLHBGDNZLJU-UHFFFAOYSA-N 399.834 3.948 0 40 GHAB CCOc1ccc2nc(NC(=O)c3ccnc(O[C@@H]4CCOC4)c3)sc2c1 245130836 UZYPUNRVQMWXJR-CQSZACIVSA-N 385.445 3.510 0 40 GHAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)n1 6422422 OCWUTXYXZGYXEL-UHFFFAOYSA-N 387.505 3.596 0 40 GHAB CN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 9169916 GFBWULDJPSQURE-UHFFFAOYSA-N 394.880 3.522 0 40 GHAB Cc1cccc(Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3ncccc32)c1 9660692 KOYLWEMEQCRMIY-UHFFFAOYSA-N 391.858 3.617 0 40 GHAB COc1cccc(-c2cc(CNC(=O)/C=C\c3ccc(OC)c(OC)c3)no2)c1 11613496 STTHWQGYRJXKQP-NTMALXAHSA-N 394.427 3.697 0 40 GHAB O=C(Cn1cccn1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 211132291 FXVUYCQMFQQRJJ-UHFFFAOYSA-N 376.445 3.784 0 40 GHAB COCc1nsc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)n1 2298066026 PGEZYGXBZPQCJD-UHFFFAOYSA-N 389.399 3.631 0 40 GHAB O=c1/c(=C\c2cccn2-c2ccc(Cl)cc2)sc2nc3ccccc3n12 13714253 PDHWYJPMXHBOPN-LDADJPATSA-N 377.856 3.901 0 40 GHAB CC(C)c1cc(C(=O)N2CCC(n3cccn3)CC2)c2cnn(C(C)C)c2n1 40123090 MXTLUHZGCQZCIX-UHFFFAOYSA-N 380.496 3.809 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(C)n1-c1ccccc1OC 908185 ZDNOWWGNPKGCEF-UHFFFAOYSA-N 382.489 3.878 0 40 GHAB O=C(CN1[C@@H]2CCC[C@@H]1CC(NC(=O)C1CCCCC1)C2)Nc1ccccc1 1371977 AHGGYFONJMNZIQ-NHCUHLMSSA-N 383.536 3.707 0 40 GHAB O=C(COc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1 40617558 CTKQHOPFLLPFDD-UHFFFAOYSA-N 387.439 3.692 0 40 GHAB O=C(CCS[C@@H]1CCc2ccccc2N=C1O)NCCc1ccc(O)cc1 20728499 ZEYZUYAAJIHZBC-LJQANCHMSA-N 384.501 3.777 0 40 GHAB COc1cc(CNCc2ccccc2)ccc1OCC(=O)NC1CCCCC1 4670816 JFJQXMQGWWRZSK-UHFFFAOYSA-N 382.504 3.813 0 40 GHAB CCOc1cc([C@@H]2CC(=O)Nc3ncnn32)cc(Cl)c1OCc1ccccc1 6656465 VXKLWXIRLZTVKC-INIZCTEOSA-N 398.850 3.841 0 40 GHAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2cc(Cl)ccc2Cl)c1 6680358 BQXVEJYYHCSYLP-UHFFFAOYSA-N 393.317 3.948 0 40 GHAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 6949623 LRMOXHBXOCPQDP-JTQLQIEISA-N 378.803 3.926 0 40 GHAB Cc1ccc(-n2c(S[C@@H]3C[C@@H](C)OC3=O)nnc2-c2ccccn2)c(C)c1 53841385 YRRDRXPBTWNRDU-RHSMWYFYSA-N 380.473 3.742 0 40 GHAB COCCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(C)cc2C)n1 8476447 XEHVCAJBVVZEDI-UHFFFAOYSA-N 378.476 3.626 0 40 GHAB O=C(c1cccnc1Sc1ccccc1)N1CCN(c2ccc(O)cc2)CC1 32980256 BYYYLUWBFFEOQW-UHFFFAOYSA-N 391.496 3.901 0 40 GHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)C1=O 2657969 DCJVCQKLYYHGHS-QHCPKHFHSA-N 393.487 3.798 0 40 GHAB CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 9063497 OMYCNCHFRGUALG-UHFFFAOYSA-N 397.494 3.815 0 40 GHAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 22019123 UDHRKQKDBOKZHG-HNNXBMFYSA-N 375.875 3.624 0 40 GHAB C[C@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)N1CCCCCC1 22034889 ZAHZWDHKFOLJFD-QMMMGPOBSA-N 394.686 3.572 0 40 GHAB Cc1nnc(SCC(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)n1Cc1ccccc1 103126927 YOOKDCLBJOMXRF-CYBMUJFWSA-N 392.484 3.665 0 40 GHAB COc1cc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)c(OC)cc1Cl 22235515 OXOVUEJRCSKDHH-UHFFFAOYSA-N 398.846 3.871 0 40 GHAB C[C@]12CC[C@@H](C[C@@H]1C(=O)NCc1cccs1)[C@@]1(C2)NC(=O)c2ccccc2O1 100179897 TUBSUMCPLNXBMM-RBLYABSFSA-N 396.512 3.709 0 40 GHAB Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(N2CCC(O)CC2)cc1 47103722 JFPUSVZKCZCLJX-UHFFFAOYSA-N 383.473 3.925 0 40 GHAB CNc1nc(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)nc2ccccc12 24845784 FOSUCCXCHGETET-ZDUSSCGKSA-N 384.480 3.950 0 40 GHAB Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc(Oc2ccccc2)cc1 24988192 DJEDFRQKFQLLCD-UHFFFAOYSA-N 375.384 3.880 0 40 GHAB O=C([C@H](c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCCC1 12578480 PCWMSKBMADUVAS-OFNKIYASSA-N 392.499 3.958 0 40 GHAB Cc1cc(C(=O)Nc2cccc(N3CCOC3=O)c2)c(C)n1-c1cccnc1 24985602 YSIYPYPSGKPBIS-UHFFFAOYSA-N 376.416 3.698 0 40 GHAB COc1ccc(-c2c(C)oc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 1463834 FAQUMLARZPTSOF-UHFFFAOYSA-N 382.368 3.628 0 40 GHAB biogenic COc1ccc([C@H](CNC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)N2CCCCC2)cc1 102971537 MNUGDEHINUOVDO-LMQGHGSNSA-N 387.593 3.875 0 40 GHAB O=C(Nc1ccc(Cl)c2ncccc12)c1ccc2c(=O)n3c(nc2c1)CCC3 12522732 CHHFHQZAIVBSKH-UHFFFAOYSA-N 390.830 3.797 0 40 GHAB Cn1ccs/c1=N\C(=O)c1csc(-c2cc(Br)cs2)n1 59877714 HUPKKZYRHZRWQL-QINSGFPZSA-N 386.321 3.775 0 40 GHAB COc1cc(CNC(=O)c2c(F)cccc2F)ccc1OCc1cccnc1 27172715 NNICKXCGBBOBON-UHFFFAOYSA-N 384.382 3.877 0 40 GHAB COc1cccc(-n2ccnc2S[C@H](C(=O)NC2CC2)c2ccccc2)c1 17714527 DLSKUYOAXLGNTH-IBGZPJMESA-N 379.485 3.993 0 40 GHAB Cc1ccc(CC(=O)Nc2cc(C)nn2-c2cccc(Br)c2)cn1 58382550 XJDDRERMVVZXIE-UHFFFAOYSA-N 385.265 3.828 0 40 GHAB COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)c1 2246761 RJDSQTHXKHHYJC-UHFFFAOYSA-N 389.835 3.884 0 40 GHAB CCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1N1CCCCC1 2224549 RSWOYYJLLJHDID-UHFFFAOYSA-N 390.487 3.939 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1OC 10916963 IMNMOSOQBINBOM-UHFFFAOYSA-N 394.265 3.965 0 40 GHAB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1ccc2ccccc2c1 48280652 QZOCKRKHIDZZJK-UHFFFAOYSA-N 397.272 3.730 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3n[nH]c4ccccc34)o2)c1 8686334 FYTYUMBAZVLRPE-UHFFFAOYSA-N 379.445 3.961 0 40 GHAB O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCOCC2)cc1 12929595 GNKZXNQECWVELA-UHFFFAOYSA-N 382.548 3.855 0 40 GHAB CCOc1cc(C(=O)Oc2ccc(C(=O)OC)cc2)cc(OCC)c1OCC 3560687 BOLKFEZCHBWJFT-UHFFFAOYSA-N 388.416 3.889 0 40 GHAB Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)oc2c1 4090113 HFOIWIBAVXISBS-HNNXBMFYSA-N 379.456 3.795 0 40 GHAB biogenic Cc1cc(OCC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1Cl 8349474 UQVXPCQXWODCJR-OAHLLOKOSA-N 384.867 3.828 0 40 GHAB Cc1ccc(CNC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)cc1 8372488 ABYVEYDIMSQOJN-UHFFFAOYSA-N 395.532 3.713 0 40 GHAB C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)c1nc2ccccc2c(=O)[nH]1 6291997 IHYRTGHDMYEHJT-LBPRGKRZSA-N 384.819 3.844 0 40 GHAB Cc1ccc(N(C)C(=O)c2ccc(N3C(=O)c4cccnc4C3=O)cc2)cc1C 4474912 KZTWPMZRLOLRPB-UHFFFAOYSA-N 385.423 3.776 0 40 GHAB COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1ccc(C)c(C)c1)CC2 5389090 YKRYCINSHAWYDK-OAHLLOKOSA-N 375.490 3.629 0 40 GHAB O=C(CCc1ccccc1F)Nc1ccc2nc(N3CCOCC3)sc2c1 14242748 QQVMFOQQMYNCRM-UHFFFAOYSA-N 385.464 3.843 0 40 GHAB CCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 6510057 GOJHOCIRDXCIRB-UHFFFAOYSA-N 390.867 3.896 0 40 GHAB Cc1noc(C)c1COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 6558095 LNVPZTKKDVQDFC-KRWDZBQOSA-N 378.856 3.833 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CSc1nc3cc(C)ccc3[nH]1)CC2 6652599 WNGPWYNBAJBECH-UHFFFAOYSA-N 397.500 3.566 0 40 GHAB COCCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccncc1 6836732 KPVVZMMHLDIVFS-UHFFFAOYSA-N 394.909 3.676 0 40 GHAB CN(C)c1ccc(Cl)cc1NC(=O)c1cccn(Cc2ccccc2)c1=O 67026112 FZMZKRDIACKRCJ-UHFFFAOYSA-N 381.863 3.868 0 40 GHAB O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1ccc2c(c1)OCO2 15109858 VGUIUWFHIDMHCS-OAQYLSRUSA-N 388.379 3.915 0 40 GHAB CCCC[C@](C)(O)C/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 15848261 OJLOPKGSLYJEMD-LOMZUTHVSA-N 382.541 3.954 0 40 GHAB in-vitro CCCC[C@@](C)(O)C/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 15848260 OJLOPKGSLYJEMD-MFKMULPRSA-N 382.541 3.954 0 40 GHAB in-vitro O=C(Nc1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)c2nc3ccccc3n21 9060482 ZJPWLTKBOGEECD-IBGZPJMESA-N 386.411 3.746 0 40 GHAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 7787058 IKCJBTCSRJFVST-LIRRHRJNSA-N 384.432 3.695 0 40 GHAB Cc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 113955144 MPFTXTBSSCNFJY-INIZCTEOSA-N 392.496 3.558 0 40 GHAB C/C(Nc1ccc(C(C)C)cc1)=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 9359566 PSNDGQITZYDLHB-CYVLTUHYSA-N 377.444 3.775 0 40 GHAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc(=O)c2c1 28293015 OPJWEIFSBHQBNR-FQEVSTJZSA-N 390.483 3.977 0 40 GHAB O=C(Nc1cccnc1N1CCOCC1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 72023153 LWIUWNKUZFYYEU-HUUCEWRRSA-N 391.393 3.679 0 40 GHAB COc1ccc([C@H](CNc2nc(C(F)(F)F)cs2)N2CCOCC2)cc1 83938022 XMYCOZJFJFARBF-AWEZNQCLSA-N 387.427 3.656 0 40 GHAB C[C@H]1CCc2c(C(=O)NCCCC3(C4OCCO4)CCOCC3)csc2C1 72305413 PSGSLRMJYMWQGV-HNNXBMFYSA-N 393.549 3.553 0 40 GHAB O=C1[C@H](Cc2nc3ccccc3o2)n2nc(-c3ccccc3)nc2[C@@H]2CCCN12 95459214 FDZMCLWHEALDDU-IRXDYDNUSA-N 385.427 3.547 0 40 GHAB CC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN1CCN(C)CC1 22576639 DQVIJOCOLCADKE-YKSBVNFPSA-N 380.532 3.571 0 40 GHAB O=C(OCc1nc2ccccc2s1)c1ccc(CS(=O)(=O)C(F)F)cc1 79052951 AXZRXAXMARDKLS-UHFFFAOYSA-N 397.424 3.791 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3cc(-n4cccn4)ccn3)sc2C)cc1 95960422 IFJNHTZZBURYRV-UHFFFAOYSA-N 391.456 3.960 0 40 GHAB COc1ccc2[nH]cc(CCNC(=O)Nc3ccc(NC(=O)C4CC4)cc3)c2c1 89467063 LOYYRZHXQFHHQU-UHFFFAOYSA-N 392.459 3.889 0 40 GHAB COc1ccc(CCNC(=O)CCc2ncc(-c3ccc(OC)cc3)o2)cc1 63888782 AIYXRORTKXFORE-UHFFFAOYSA-N 380.444 3.650 0 40 GHAB CC(C)(CNC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1)N1CCCCC1 35316561 XXUWXJWHCHEVIF-UHFFFAOYSA-N 395.482 3.530 0 40 GHAB CCCc1nc(S/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C(=O)O)n[nH]1 213375114 TWEJQUGNRZBNIF-GDNBJRDFSA-N 399.428 3.933 0 40 GHAB O=C(NC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)c1cccnc1 72346371 RLGGNQFJRJYSPC-UHFFFAOYSA-N 382.464 3.743 0 40 GHAB CCSc1ccccc1NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219726253 CVOBRRRHAGOMNJ-UHFFFAOYSA-N 392.546 3.838 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H](c3nccnc3Oc3ccccc3C)C2)cn1 72362500 QUJPVPMPHBFOFS-KRWDZBQOSA-N 389.459 3.696 0 40 GHAB CC(=O)O[C@@]1(C(C)=O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C(=O)C[C@H]2C1 13408704 OTUOJBDLVLSQSL-NOERLYEASA-N 388.504 3.668 0 40 GHAB biogenic CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 225008741 FOVDSKMNQBHWLF-OALUTQOASA-N 382.504 3.706 0 40 GHAB COc1cccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 223028326 YPOUNHXROJMCAE-GOSISDBHSA-N 396.531 3.960 0 40 GHAB CCSc1nnc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)s1 223627387 LTRLJPOQXMKBLS-ZDUSSCGKSA-N 380.514 3.640 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 222993265 VTHLCWFEYCSJMH-KGLIPLIRSA-N 398.351 3.525 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cccc(C)c1)S(C)(=O)=O 220505953 OIGPQNFCQYHBTM-KRWDZBQOSA-N 398.887 3.971 0 40 GHAB CSc1ccc(-c2noc(-c3nn(-c4ccc(C)cc4)ccc3=O)n2)cc1 49006347 JLOTXKSQHGXSSA-UHFFFAOYSA-N 376.441 3.980 0 40 GHAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc4c(c3)OCCO4)o2)c1 224847429 MPASPQXERBLXGT-UHFFFAOYSA-N 380.400 3.693 0 40 GHAB CC(C)c1ccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 225553679 HWPODDREQOZYJY-UHFFFAOYSA-N 394.924 3.864 0 40 GHAB COc1ccccc1-c1n[nH]c(NC(=O)CCc2cn(C)c3ccccc23)n1 95479923 MGMMSICHLBLRIG-UHFFFAOYSA-N 375.432 3.543 0 40 GHAB Cc1ccc(NC(=O)COC(=O)Cc2ccccc2Br)cc1C 95471780 KSDZLTFDFGTCCG-UHFFFAOYSA-N 376.250 3.790 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1cccc(Br)c1 95477911 ULGPGYPJVWPIRZ-CYBMUJFWSA-N 382.283 3.944 0 40 GHAB Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 244425268 YVXPFHDIKATVPT-OAHLLOKOSA-N 376.378 3.683 0 40 GHAB Cc1c(C(=O)N2CC[C@](C)(O)[C@@H](Oc3ccccc3)C2)oc2ccc(F)cc12 257302194 SBWQMKCSFFTZCE-UGKGYDQZSA-N 383.419 3.925 0 40 GHAB Cc1c(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)oc2c(F)cccc12 641954027 VRXFGTVIEVWDIG-UHFFFAOYSA-N 384.382 3.618 0 40 GHAB C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1Br 660228655 QZGKWPSKVWLLQE-ZBFHGGJFSA-N 394.357 3.931 0 40 GHAB O=C(NCc1nnnn1C1CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 608198402 GVYXJLZVOCPFIA-UHFFFAOYSA-N 387.365 3.624 0 40 GHAB O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 90612752 RDXOROSFWRQONG-CQSZACIVSA-N 382.338 3.679 0 40 GHAB COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2c(C)ccc(C)c23)cc1 5489304 UVQSURZPIQHBOV-UHFFFAOYSA-N 393.472 3.862 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)Cc3cccs3)C2)on1 12118492 DURDFWVFQJFOKC-HNNXBMFYSA-N 382.489 3.759 0 40 GHAB Cc1ccccc1[C@@H](C)NCC(=O)Nc1ccccc1C(=O)NC1CCCC1 13040719 PDTLPNPLIPBKKO-QGZVFWFLSA-N 379.504 3.957 0 40 GHAB Cc1nc(C)n(C[C@@H](C)C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)n1 19285964 QCXFKNOSLGIGIM-BXUZGUMPSA-N 375.542 3.777 0 40 GHAB COc1cccc(Nc2noc3c2CN(C(=O)c2cccc(OC)c2)CC3)c1 19564715 RTCXDEILATWMLE-UHFFFAOYSA-N 379.416 3.634 0 40 GHAB O=C(c1ccc(-n2cccn2)nc1)N1CCC(COc2ccc(Cl)cc2)CC1 19663848 JBIKUJDACGLHAQ-UHFFFAOYSA-N 396.878 3.852 0 40 GHAB CN(C)C(=O)c1ccc(C2CCN(C(=O)C(C)(C)c3ccc(F)cc3)CC2)nc1 19708394 NPUFZDSIQOSKHX-UHFFFAOYSA-N 397.494 3.606 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccccc2OC)o1 19928523 NZLJLFBRXQXTAI-UHFFFAOYSA-N 399.472 3.950 0 40 GHAB COC(=O)[C@@H](C)Oc1ccc2oc(=O)c(-c3ccc(OC)c(OC)c3)c(C)c2c1 4340662 SYIRRFGACTWCAJ-CYBMUJFWSA-N 398.411 3.726 0 40 GHAB biogenic CC(=O)N1CCCCCCCN(Cc2cccnc2)Cc2ccc(CO)cc21 643563500 ADWVBLJYBICMJE-UHFFFAOYSA-N 381.520 3.893 0 40 GHAB NC[C@H]1CC[C@H]([C@H](NC(=O)Cc2ccc3c(c2)CCCO3)c2ccccn2)CC1 257279787 OIEHKWBCXONTLX-KDLAUNOPSA-N 393.531 3.572 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)NCc1nc(C2CCCCC2)cs1 575413970 FUWGZJPLBHFBIK-UHFFFAOYSA-N 384.498 3.817 0 40 GHAB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1C[C@@H]1CCCO1 4581414 IJCFBAHRUXUTLU-INIZCTEOSA-N 387.501 3.874 0 40 GHAB COc1ccc(OC)c(CN2CCN(c3nnc(-c4ccccc4)s3)CC2)c1 26703314 ICSBFGIUOWIDGE-UHFFFAOYSA-N 396.516 3.545 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(C2CCCC2)C1 26905844 IHTNMYHTZNHLTK-IRLDBZIGSA-N 376.500 3.878 0 40 GHAB COc1cccc(CN2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037840469 NHZIZXUAUCYZMN-HSZRJFAPSA-N 398.478 3.622 0 40 GHAB O=C(N[C@@H](Cn1nccn1)c1ccccc1)c1cccc(Oc2ccccn2)c1 253401791 NMOLEZJUYPFDAC-FQEVSTJZSA-N 385.427 3.637 0 40 GHAB Cc1ccc(N(C(=O)Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1Cl 4165280 VZTALRFSHPJHNM-QGZVFWFLSA-N 375.877 3.535 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCCc2sc(-c3ccccc3)nc2C)cc1 4392563 GPGDIVSVXUJYIQ-UHFFFAOYSA-N 379.485 3.724 0 40 GHAB CCOC(=O)C1=C(COc2ccc(F)cc2)NC(=O)N[C@H]1c1cc(C)ccc1C 4689368 JRCPRGUGVNADEF-FQEVSTJZSA-N 398.434 3.693 0 40 GHAB CCCn1cc(C(=O)Nc2cccc(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1 10062652 IGYADMRFTPCIJS-UHFFFAOYSA-N 390.418 3.940 0 40 GHAB CCOC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCN(C(C)C)C2 10061660 WLASHXQOZOAFRD-UHFFFAOYSA-N 392.546 3.934 0 40 GHAB COc1ccc(-c2ccc(C)c(NC(=O)c3cccc(OC)c3OC)c2)nn1 11694174 GWJXTWBODOBOQQ-UHFFFAOYSA-N 379.416 3.730 0 40 GHAB Cc1ccc(NC(=O)CN2CCc3[nH]c4ccc(F)cc4c(=O)c3C2)cc1Cl 48986693 DPBQAXHXTUWPRW-UHFFFAOYSA-N 399.853 3.626 0 40 GHAB CC[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1cccc(C(F)(F)F)c1 13572980 PTKBFZVQEHDQSR-NSHDSACASA-N 381.383 3.881 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@@H]3CCCOC3)[C@H]2c2cccs2)cc1 40156936 OFZRQMQGOOSIRV-MDKPJZGXSA-N 398.528 3.694 0 40 GHAB CC(C)CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1 2436999 UYCRIDSVZOEZHQ-UHFFFAOYSA-N 376.507 3.950 0 40 GHAB CCOc1ccccc1-n1c(SCC(=O)N(C)C)nnc1-c1cccs1 905396 GORSQDUGWZJZHC-UHFFFAOYSA-N 388.518 3.575 0 40 GHAB CCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccco1 1364404 AYXGRUGSIYFLDC-UHFFFAOYSA-N 385.445 3.694 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COc1c(F)cc(Br)cc1F 1462667 JMYQPHVQYYQNOG-LOWVWBTDSA-N 378.257 3.730 0 40 GHAB CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1nc2ccccc2c(=O)[nH]1 29593714 HTEODWGLWIXKPK-UHFFFAOYSA-N 398.466 3.807 0 40 GHAB CCOC(=O)N1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 29646689 GITUQXDNLRKDNM-UHFFFAOYSA-N 391.471 3.604 0 40 GHAB O=C(O)Cn1c(Br)nc2ccc(Br)c3cccc1c23 4451542 VXCSAJXGHVLELO-UHFFFAOYSA-N 384.027 3.799 0 40 GHAB O=C(CSc1c(Cl)cccc1Cl)N1CCN(C(=O)c2ccco2)CC1 21196200 MKWGZXHVRIWKJP-UHFFFAOYSA-N 399.299 3.663 0 40 GHAB O=C(NN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccccc1 6529142 GMAZIPBJUGODAN-UHFFFAOYSA-N 399.450 3.771 0 40 GHAB COc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc(OC)c1OC 2644609 HQSGVEQZGSHGJZ-UHFFFAOYSA-N 392.260 3.820 0 40 GHAB CCn1nnnc1NCc1cc(Cl)c(OCc2cccs2)c(OC)c1 7602643 LWGCYEUPDRRBQN-UHFFFAOYSA-N 379.873 3.608 0 40 GHAB Cc1ccc(NC(=S)N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc1 2682780 PBOZWUBUAJUONQ-LBPRGKRZSA-N 382.744 3.750 0 40 GHAB Cc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c(Br)c1 2620575 NXWLPDDMXPEDDP-UHFFFAOYSA-N 389.171 3.577 0 40 GHAB C[C@@H]1Oc2ccc(-c3csc(NC(=O)c4ccc(F)cc4)n3)cc2NC1=O 11904351 RNYKNFSSCAFWED-JTQLQIEISA-N 383.404 3.921 0 40 GHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 32820866 XZJHVEVRRWUSFT-GOSISDBHSA-N 385.489 3.815 0 40 GHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccccc1 103053035 UMXFMCYNCAKJIF-OYRHEFFESA-N 383.451 3.991 0 40 GHAB C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc2c(c1)CCCC2 8268617 PYQJSLAKERNLKH-INIZCTEOSA-N 378.472 3.558 0 40 GHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2noc(-c3ccc(C)cc3)n2)C1=O 32905969 CZKAJVAOXHXXCT-OAQYLSRUSA-N 394.406 3.541 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)c1cccc(C)c1-n1cccc1 32933312 NOFHTRXGYBJAMF-UHFFFAOYSA-N 378.428 3.980 0 40 GHAB CC[C@@H](C(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC)c1ccccc1 2736699 OINZGOWNWHVIRZ-CYBMUJFWSA-N 375.446 3.762 0 40 GHAB O=C(Nc1nc(CC(=O)N2CCc3sccc3C2)cs1)c1ccccc1 12216879 WWPUJTUXYOLTSQ-UHFFFAOYSA-N 383.498 3.584 0 40 GHAB C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccncc2)CC1 100738968 UFYAFKDMWKPDSR-DKKFBQAASA-N 393.535 3.651 0 40 GHAB CCc1cccc2c(CNC[C@@H](c3cccs3)N3CCN(C)CC3)c[nH]c12 22809897 DIKNHGPJAKTYFY-FQEVSTJZSA-N 382.577 3.870 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1 25044870 HVZGIJSDENBCSY-UHFFFAOYSA-N 389.420 3.997 0 40 GHAB COc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(Cl)cc2)cc1 1477093 YBQZCQSRBXSOMW-IBGZPJMESA-N 384.819 3.993 0 40 GHAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc(F)c1 12522750 ZKNXTNPNNZFPSK-UHFFFAOYSA-N 393.484 3.540 0 40 GHAB COc1ccc([C@@H]2C=C(c3ccc(C)cc3)Nc3nc(CCCO)nn32)cc1 100806442 ZZUWLIYVPHOFKB-FQEVSTJZSA-N 376.460 3.576 0 40 GHAB COc1cccc(C(=O)Nc2nnc(NC(=S)Nc3ccccc3)s2)c1 1505729 ZQSHUHGOJVEJEV-UHFFFAOYSA-N 385.474 3.608 0 40 GHAB CCCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1F 57487491 WCPGNSLSOBGUDM-UHFFFAOYSA-N 391.493 3.595 0 40 GHAB O=C(CCN1CCC[C@@H]1c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 26913236 NPBSUBGKDHULIY-JOCHJYFZSA-N 381.495 3.702 0 40 GHAB CCCNC(=O)[C@@H](C)Sc1nc(N)c(-c2ccc(Cl)cc2)c(CC)n1 27070983 RJJGCAHNGPRXTM-LLVKDONJSA-N 378.929 3.948 0 40 GHAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(F)cc2)C4)cc1 20671432 KWOSEQGRJNJVQH-OAHLLOKOSA-N 388.402 3.852 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)c2c(c1)OCCO2 27411210 AFMZQDLKVQDPMK-UHFFFAOYSA-N 389.835 3.545 0 40 GHAB Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 22514791 QZYFWOMZRUHPNM-FQEVSTJZSA-N 398.528 3.587 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2s1 58160500 WKHLASQHLXHIFY-MRXNPFEDSA-N 383.521 3.812 0 40 GHAB CCOc1ccc(-c2noc(-c3nnn(-c4ccccc4Cl)c3N)n2)cc1 10273093 BDRXHMVZOHSDBF-UHFFFAOYSA-N 382.811 3.619 0 40 GHAB O=C(O)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 3324454 PGMYBSUTQKPEJE-GFCCVEGCSA-N 392.235 3.627 0 40 GHAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(N2CCc3ccccc32)cc1 58268966 NGPAJFGOFLCXJZ-MRXNPFEDSA-N 378.476 3.513 0 40 GHAB CC(C)(C)c1nnc(NC(=O)CCCn2sc3ccccc3c2=O)s1 36367125 JLAJCFDNVLPSFZ-UHFFFAOYSA-N 376.507 3.631 0 40 GHAB COC(=O)c1cc(CNC(=O)c2ccc(OCCC(C)C)cc2)ccc1OC 12790264 NAWMZECKJYUMDE-UHFFFAOYSA-N 385.460 3.837 0 40 GHAB COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3F)n2)cc1OC 2326241 BNOOIUGRBLKPKF-UHFFFAOYSA-N 385.395 3.854 0 40 GHAB Cc1ccc(C)c(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1 2368018 KRNHLBKJUQYQTB-UHFFFAOYSA-N 384.487 3.759 0 40 GHAB aggregator C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ncc(C(C)(C)C)o2)CC1 48278098 NZCQCYOGCKAIGY-MRXNPFEDSA-N 395.507 3.901 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)Cc3ccc4c(c3)OCO4)c12 12894164 QZAAEDZHSUFUTO-UHFFFAOYSA-N 391.383 3.792 0 40 GHAB COc1ccc2cc(C(=O)NCC(=O)Nc3c(C)cccc3C)c(C)nc2c1 12941537 JOUTZAKQARPCBL-UHFFFAOYSA-N 377.444 3.537 0 40 GHAB Cc1nc(-c2cccc(NC(=O)CCn3ncc(=O)c4ccccc43)c2)cs1 12944925 PKLHVXRILVKEKR-UHFFFAOYSA-N 390.468 3.857 0 40 GHAB CCc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)cc1 9236446 QDPMKOVNETZMIV-QZTJIDSGSA-N 379.489 3.547 0 40 GHAB COc1cccc(NC(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)c1 13324440 ZWKRFEPJENWAFF-UHFFFAOYSA-N 389.883 3.707 0 40 GHAB CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 113887568 DMZSNZODMLVIDX-UHFFFAOYSA-N 375.490 3.877 0 40 GHAB C[C@H](NC(=O)Cn1c(S)nnc1-c1cccs1)c1ccccc1Cl 17908304 YLCLFJLFCHYKOD-JTQLQIEISA-N 378.910 3.826 0 40 GHAB Cc1c(CCC(=O)N[C@H](C)CCc2ccccc2)c(=O)oc2cc(O)ccc12 4088936 KDDVIRTWEQBILB-OAHLLOKOSA-N 379.456 3.877 0 40 GHAB biogenic CCCO[C@H]1[C@@H]([C@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@H]12 4028175 RHQNYCLFCSCTDW-UJWQCDCRSA-N 382.497 3.658 0 40 GHAB biogenic COc1ccc(N2C(=O)C[C@H](c3cccc(OC)c3)c3sc(=O)n(C)c32)cc1 49545052 WJKMDCPIDHIPFO-QGZVFWFLSA-N 396.468 3.664 0 40 GHAB COc1ccc(CN2CCn3c(nc4cc(NC(=O)C(C)C)ccc43)C2)cc1 13690333 UOMCQLQDMBIRQP-UHFFFAOYSA-N 378.476 3.655 0 40 GHAB COC(=O)C1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 6084274 GUHLXRFTXBPCEZ-UHFFFAOYSA-N 384.501 3.661 0 40 GHAB COc1ccc(-n2ccnc2SCC(=O)Nc2cccc(C(C)=O)c2)cc1 5262909 BAKOGNGQUWPGJP-UHFFFAOYSA-N 381.457 3.814 0 40 GHAB C[C@]1(C(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)CC1(Cl)Cl 65563935 WLPVSTCHYNJNSX-QGZVFWFLSA-N 379.291 3.762 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(F)ccc2F)cc1 20024164 AZBFRXFNFJNQKO-UHFFFAOYSA-N 396.459 3.613 0 40 GHAB COc1cc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)cc(OC)c1OC 4543372 MMCDFPMXVFGHBA-XTZNXHDOSA-N 388.489 3.753 0 40 GHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1cccc2cccnc12 6652016 MMFBEWQZYMVZEV-GOSISDBHSA-N 383.398 3.906 0 40 GHAB Cc1ccc2cc(COC(=O)c3ccc(N4CCOCC4)nc3)c(Cl)nc2c1 14709676 RFFWVDRVWRHWLP-UHFFFAOYSA-N 397.862 3.785 0 40 GHAB Cc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3ccc(F)cc3)C2)o1 20414206 FPNCFGPUVOQYAF-LJQANCHMSA-N 399.447 3.730 0 40 GHAB COC1CCN(CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)CC1 8923526 QPGWRLGRZKPAGJ-UHFFFAOYSA-N 399.560 3.666 0 40 GHAB Nc1c(C(=O)Nc2cccc(Br)c2)nnn1-c1cccc(Cl)c1 8991356 YWEKWNKEMOJILW-UHFFFAOYSA-N 392.644 3.518 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2nnc3c4ccccc4cnn23)cc1 15535017 JACDYDBGFCEXII-DRUFCSCSSA-N 399.454 3.663 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 7670024 QMUPYXLTDXJGPY-GOSISDBHSA-N 392.908 3.830 0 40 GHAB CCOc1ccc2nc(NC(=O)c3ccc(OC)c(OC)c3OC)sc2c1 7768475 JFHPRXYCCDGPME-UHFFFAOYSA-N 388.445 3.973 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccc(F)c(F)c2)c1 7717072 XKXIDDHTSCFFKF-SFHVURJKSA-N 376.403 3.758 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 9691588 CDIXJXDRMLEULQ-UHFFFAOYSA-N 388.670 3.758 0 40 GHAB Cc1cc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)ccc1N(C)C 71843939 GXLBYBCNWSHSPG-UHFFFAOYSA-N 380.897 3.517 0 40 GHAB O=C1C[C@H](C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c2ccccc2N1 25001981 YXFMXPRQTHVAFO-INIZCTEOSA-N 380.835 3.649 0 40 GHAB Cc1cccc(Nc2ccccc2C(=O)N(C)Cc2nnc3n2CCC3)c1C 84219051 GCHOXNZXLJWPNE-UHFFFAOYSA-N 375.476 3.857 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1C 22330756 QXHNCOZJWZSWLW-OAHLLOKOSA-N 394.924 3.600 0 40 GHAB CCCCOc1ccc(C(=O)Nc2cccc(-c3nnnn3CC)c2)cc1OC 84746717 GWCSXPJHFQPEGK-UHFFFAOYSA-N 395.463 3.800 0 40 GHAB Cc1ncsc1C(=O)Nc1ccccc1[C@H](C)NC(=O)c1scnc1C 95451276 MXKLGLJEJPHXMF-JTQLQIEISA-N 386.502 3.960 0 40 GHAB Cc1nc(CCCC(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)cs1 95993289 NYCVABDPZINTNO-KRWDZBQOSA-N 395.532 3.966 0 40 GHAB CC(=O)Nc1ccc(NC(=O)NCC2([C@@H](O)C(C)C)CC2)c(C(F)(F)F)c1 95987311 YCNAGQFHBBUJQL-HNNXBMFYSA-N 387.402 3.582 0 40 GHAB CCN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccccn1 79058915 CMPAXFIUMCFION-UHFFFAOYSA-N 375.476 3.605 0 40 GHAB Cc1cc(OCC(=O)N2N=C(CC(C)C)C[C@@]2(O)C(F)(F)F)ccc1Cl 32100752 OLSMNYLGFFHSNO-MRXNPFEDSA-N 392.805 3.913 0 40 GHAB CN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)NC1=S 39556580 ZQKYPEYWYOKDQY-ATVHPVEESA-N 395.459 3.547 0 40 GHAB CCOc1ccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1OCC 219200746 OZQIWVMAAXLICL-UHFFFAOYSA-N 382.460 3.541 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c(C)c1 408550447 CDLSMQVXILHNLG-MRXNPFEDSA-N 382.485 3.762 0 40 GHAB COc1ccc(CCNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1OC 219852107 QTNBBSPNKHRCTR-UHFFFAOYSA-N 382.504 3.588 0 40 GHAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 37477377 UCUFHZATSOSPAI-GJZGRUSLSA-N 387.430 3.643 0 40 GHAB C=CCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@@H](C)CC)C2=O)cc1 35648521 XLYAZCBAYVUAAM-XTFUBUKHSA-N 391.514 3.952 0 40 GHAB COc1ccc(-c2nc(C(=O)N[C@@H](CN(C)C)c3ccccc3)cs2)cc1 31496045 ZAIJDXFSVJLHJT-SFHVURJKSA-N 381.501 3.851 0 40 GHAB CCn1cc(-c2cc(NCCc3ccc(C(F)(F)F)cc3)nc(N)n2)cn1 72373187 HCBBFCQWTYBLLZ-UHFFFAOYSA-N 376.386 3.616 0 40 GHAB O=C(Cc1cccnc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72358818 OYRWGZABSHPOEY-GOSISDBHSA-N 376.435 3.626 0 40 GHAB O=C(CSc1nnc2c3c(-c4ccc(F)cc4)csc3ncn12)NC1CC1 35314142 QVZFWMVMYCENKN-UHFFFAOYSA-N 399.476 3.516 0 40 GHAB Nc1cc(-c2c[nH]nc2[C@H]2CCCN(CCCOc3ccccc3)C2)ccn1 72356489 RNIWFBGMBBCTIN-SFHVURJKSA-N 377.492 3.702 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)[C@H]2C[C@H]2C)C1 72388990 AKSHJIBAXMRDCN-ICPLQIHGSA-N 396.556 3.968 0 40 GHAB Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224884710 GNOXMTPANRGCAE-MSOLQXFVSA-N 384.892 3.956 0 40 GHAB C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(NS(C)(=O)=O)c1 41675758 RBNCOBIDYOQLKP-SNVBAGLBSA-N 387.288 3.856 0 40 GHAB O=C(COc1ccc2c(c1)CCCC2)NCc1nc(-c2ccccc2Cl)no1 224786953 BBMXFYSMSRAKHZ-UHFFFAOYSA-N 397.862 3.964 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 222992235 IKMVNDWSAJWJNF-IBGZPJMESA-N 382.504 3.707 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C)cc1 225379794 IRYDBMBWFGRZDQ-HNNXBMFYSA-N 390.936 3.904 0 40 GHAB O=C(c1cccs1)N1C[C@H]2Cc3nn(CC4CC4)c(-c4cccnc4)c3[C@H]2C1 96145672 FASRHTICHNXCRO-SJORKVTESA-N 390.512 3.829 0 40 GHAB CC(C)n1ccc2c(NC(=O)[C@H](C)n3nnc4ccccc4c3=O)cccc21 95472763 FWPTXAVDSBABCQ-AWEZNQCLSA-N 375.432 3.527 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCC(Oc2ncccc2Br)CC1 96096959 YUEKTEFNCZJWAU-UHFFFAOYSA-N 393.256 3.596 0 40 GHAB COCCCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 257301877 SAJAMIMCJVYUGA-UHFFFAOYSA-N 385.479 3.985 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3cccc(F)c3)CC2)CN1CCc1ccccc1 257277262 NXCNVJYFIVBLKA-XMMPIXPASA-N 396.506 3.652 0 40 GHAB Cc1cc(C(=O)N2CCC[C@](C)(c3ncc(Cc4ccccc4F)o3)C2)no1 257280292 OKIGUJZMJNDQNB-NRFANRHFSA-N 383.423 3.895 0 40 GHAB COc1ccccc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 257226232 FJSIPLHOPWMLAU-XMSQKQJNSA-N 385.435 3.677 0 40 GHAB COc1ccc(-c2cncc([C@H]3CN(Cc4ccccc4F)CCO3)n2)cc1 257206841 BFBZJTNJVZOJSH-JOCHJYFZSA-N 379.435 3.865 0 40 GHAB Cc1cc(C)cc(OCc2nnc(SCC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)o2)c1 260483388 SWZREEUKDUCTED-ZOBUZTSGSA-N 387.505 3.662 0 40 GHAB Cc1cc(C)cc(N(C)C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)c1 607300212 DQEOKUCRYSBIKK-LJQANCHMSA-N 380.488 3.584 0 40 GHAB O=C(NCCc1cccc(O)c1)N1CCC(Cc2nc(C3CCCC3)no2)CC1 636707321 LKXKUDCFRSAMQR-UHFFFAOYSA-N 398.507 3.640 0 40 GHAB C[C@@]1(CNC(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)CC1(F)F 666034909 SJEJDPQXBIPIQQ-SFHVURJKSA-N 394.443 3.827 0 40 GHAB O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)N[C@]12CCC[C@@H]1C2 666172693 OGRVFVBZHWRNKR-KDOFPFPSSA-N 389.297 3.952 0 40 GHAB O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccccc3)C[C@H]12 585109751 OXDJDKVJJRUDFV-SONWIMMPSA-N 390.527 3.890 0 40 GHAB CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 585287260 LQPZUDHKDXZZFE-SFGWALBWSA-N 379.516 3.873 0 40 GHAB CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(F)c(F)c1 48365837 SSQZSMNSXHDAFI-UHFFFAOYSA-N 388.505 3.559 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)C1 105652510 FDWPYDFMGNWZBL-BBWFWOEESA-N 379.566 3.792 0 40 GHAB COc1ccc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1OC 655265221 LIQILBZYDDFMOQ-UHFFFAOYSA-N 377.444 3.667 0 40 GHAB COc1ccc(CCNC(=O)CC2CCN(Cc3ccccc3)CC2)cc1OC 5496225 QXMYJTPXZGZFKC-UHFFFAOYSA-N 396.531 3.665 0 40 GHAB Cc1csc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)n1 5678447 WDECXIHSRKGHNB-UHFFFAOYSA-N 379.441 3.620 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3cnn(C(C)C)c3)C2)n1 12088651 QBKSDDUTYSCWNV-SFHVURJKSA-N 390.491 3.644 0 40 GHAB C[C@H](C(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1)c1ccccc1 12220858 FPRSODSWOQNQQC-ZFWWWQNUSA-N 385.418 3.572 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)c2occc2COc2ccccc2)cc1 12999152 NTHDULJUJUHCMK-UHFFFAOYSA-N 378.428 3.878 0 40 GHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccccc3Cl)ccc21 13584020 ZVWFONGSOJPVCB-UHFFFAOYSA-N 378.881 3.695 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N3C[C@@H](C)C[C@@H](C)C3)o2)cc1 14706808 NYXVRPUQOLNKCG-CALCHBBNSA-N 384.476 3.630 0 40 GHAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)c2snnc2C)n1 19558316 BHXXCBAZVGZUIQ-OAHLLOKOSA-N 398.492 3.584 0 40 GHAB COc1cccc(CC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2)c1 19564294 ILRVDEGUDZTZCX-FQEVSTJZSA-N 376.460 3.777 0 40 GHAB CSCC[C@@H]1CN2CCC[C@H]2CN1Cc1c(C)nn(Cc2ccccc2)c1C 19578353 WCJXMESUUHRYGC-FCHUYYIVSA-N 398.620 3.950 0 40 GHAB CCN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)c1cccc(F)c1)c1ccccc1O2 12274969 JYPVRVGEFMOJOY-AUSIDOKSSA-N 396.462 3.851 0 40 GHAB COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@@H]1CCOC1(C)C 661058315 LEWOPYKNFLVDDP-RYUDHWBXSA-N 385.302 3.633 0 40 GHAB Cc1cccc(CC(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)c1 19234583 OWGZZHCMKCGODF-UHFFFAOYSA-N 378.516 3.860 0 40 GHAB COc1cccc2sc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc12 1889139150 KTLAVIGJOQGMSO-UHFFFAOYSA-N 395.475 3.779 0 40 GHAB CCCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 24017201 LRGIEVYXMBCVHK-UHFFFAOYSA-N 395.569 3.836 0 40 GHAB Cc1c(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)cnn1-c1ccccc1 30000220 QGLNTMRPQSBXRI-FQEVSTJZSA-N 389.434 3.573 0 40 GHAB COc1cccc(N2C[C@@H](NC(=O)Nc3nc4ccc(C)cc4s3)CC2=O)c1 4373402 CFOXTQNEHCNEPT-ZDUSSCGKSA-N 396.472 3.540 0 40 GHAB Cc1cn2c(=O)c(C(=O)N(Cc3ccccc3)c3ccccc3)cnc2s1 4505722 YHECHXJYTOERRX-UHFFFAOYSA-N 375.453 3.911 0 40 GHAB Cc1ccc(N(C(=O)c2ccccc2F)[C@H]2C=CS(=O)(=O)C2)cc1Cl 5070758 NAFDUHVSZOLKDM-AWEZNQCLSA-N 379.840 3.745 0 40 GHAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc2ccc(F)cc2s1 10218262 DKNKHEQPNNKUGV-UHFFFAOYSA-N 378.450 3.628 0 40 GHAB O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)Nc1ccc2c(c1)OCO2 207968176 MDYXEZKOVFKFRO-KRWDZBQOSA-N 388.470 3.942 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@H](n2c(C)nc3ccccc32)C1 575414637 RBZVBVPUMVGIKA-INIZCTEOSA-N 391.500 3.988 0 40 GHAB COc1cccc(C(=O)NC[C@H](c2csc3ccccc23)N(C)C)c1OC 575619891 GWAYOTDYSXCMHG-QGZVFWFLSA-N 384.501 3.951 0 40 GHAB CC[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccccc1Br 13572087 QEVBGUNFCUKENM-NSHDSACASA-N 392.282 3.625 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)cc1 650838 HFTRVUJEVXVQIP-UHFFFAOYSA-N 395.843 3.533 0 40 GHAB COc1cc([C@@H](C)NC(=O)c2nc(Cl)ccc2Cl)cc(OC)c1OC 40111765 MLOCICXRSUBRGN-SECBINFHSA-N 385.247 3.905 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)N2CCN(c3ccc(O)cc3)CC2)n1 40104905 QFSAIKQODMFKSH-UHFFFAOYSA-N 391.475 3.549 0 40 GHAB CCCCCn1c(=N)n(C[C@@H](O)COc2ccccc2OC)c2ccccc21 20292970 WOFILWXIKKUJDP-QGZVFWFLSA-N 383.492 3.561 0 40 GHAB CC(=O)Nc1ccc(C)c(NC(=O)COc2ccc(Br)cc2)c1 863305 ZJAONYGAWAUSPD-UHFFFAOYSA-N 377.238 3.733 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCC(C)C)cc2c1 933937 AJSMINRCMQJINT-UHFFFAOYSA-N 394.544 3.764 0 40 GHAB Cc1ccc(C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)s1 31747039 GWGAVIDQRZZHGC-UHFFFAOYSA-N 396.559 3.601 0 40 GHAB O[C@H]1CCCN(c2c3c(nc4cc(-c5cccc(Cl)c5)nn24)CCCC3)C1 1341702 ATROCBXWNOHIPH-INIZCTEOSA-N 382.895 3.890 0 40 GHAB CSc1nc(C)cc(O[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)n1 1469992 GISPGJPCEMERDH-SNVBAGLBSA-N 386.732 3.744 0 40 GHAB Cc1ccc(C2=CCN(CC(=O)NC[C@@H]3CCN(c4ccccc4)C3)CC2)cc1 51287234 ZWTHXAVMCLJOTN-NRFANRHFSA-N 389.543 3.727 0 40 GHAB FC(F)(F)c1cc(C2CC2)n(CCCNC(=S)NCc2ccccc2)n1 2782551 ZFYIHDZEJSBPSP-UHFFFAOYSA-N 382.455 3.834 0 40 GHAB C[C@@H](OC(=O)c1cccc(N(C)C)c1)C(=O)Nc1cccc(C(F)(F)F)c1 3316213 OEKUWQDORTUADM-GFCCVEGCSA-N 380.366 3.955 0 40 GHAB CCC(CC)NC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 3475083 DYVOMBHLWXFHNB-UHFFFAOYSA-N 379.460 3.796 0 40 GHAB CCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 3814700 DIIJJSMSKXETBH-UHFFFAOYSA-N 395.406 3.768 0 40 GHAB COC(=O)c1ccc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 4588620 XOWWLYBQOZKCAU-UHFFFAOYSA-N 375.808 3.539 0 40 GHAB Cc1ccc(C)c(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c1 6189849 SKAXHBKJEZDOHP-UHFFFAOYSA-N 386.517 3.511 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ccc2c(c1)OCCCO2 6879400 WBXSUADFSDTBAI-CQSZACIVSA-N 398.484 3.704 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2c(F)cccc2F)c1C 7180515 ZDDXDRUSINMTEU-NSHDSACASA-N 379.359 3.515 0 40 GHAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1ccc(F)cc1 7615949 VGJRZSZZHWBARB-UHFFFAOYSA-N 383.397 3.767 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)COc1ccc(Cl)cc1Cl 8134404 LJVVSTYSESTTCK-UHFFFAOYSA-N 378.259 3.847 0 40 GHAB CCc1ccc(-c2noc(CSc3nnc(-c4cccs4)n3N)n2)cc1 8428135 NWNBDIJYFPYAJM-UHFFFAOYSA-N 384.490 3.625 0 40 GHAB COc1cc(CNn2cn[nH]c2=S)ccc1OCc1ccccc1Cl 8472210 JAYODVCCVKNBIW-UHFFFAOYSA-N 376.869 3.925 0 40 GHAB COc1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1Cl 8493962 NSJHEHSLDUNOND-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(COc2ccc(F)cc2)o1 32966955 BXHKWLOXKAVCNQ-GOSISDBHSA-N 397.402 3.910 0 40 GHAB CC(=O)Nc1ccc(CC(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)cc1 32930091 WQJFPESWWLARQW-SFHVURJKSA-N 393.531 3.736 0 40 GHAB CC(C)n1ncc2cc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cnc21 32900193 VGSYCESAMDOINX-GOSISDBHSA-N 381.480 3.562 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)N(C)C3CCCCC3)cc2)n1 32910420 DVNYWSJXOSHYOT-KRWDZBQOSA-N 383.492 3.826 0 40 GHAB COc1ccc(Cl)cc1CN(C)CC(=O)Nc1cc(C)nn1-c1ccccc1 15551226 BVRPWIVWHUSKKP-UHFFFAOYSA-N 398.894 3.913 0 40 GHAB COCCn1c(S[C@@H](C)C(=O)c2ccc(C)cc2)nc2ccccc2c1=O 2644599 UYRGJVDFYYZHBV-HNNXBMFYSA-N 382.485 3.715 0 40 GHAB O=C(Nc1ccccc1)c1ccc(Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 29902661 GDOLNNBZHFOLNB-UHFFFAOYSA-N 389.386 3.943 0 40 GHAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1n[nH]c(=O)c2ccccc12 23077186 TZCPTAJBADGNPU-OAQYLSRUSA-N 384.391 3.704 0 40 GHAB COC[C@H](C)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 2799881 HCQAIHCFWLPMPS-NWDGAFQWSA-N 399.438 3.794 0 40 GHAB O[C@H]1CC[C@H](N2CNc3c(Br)cc(Br)cc3C2)CC1 100070279 AJOQVCHLLULVGK-TXEJJXNPSA-N 390.119 3.700 0 40 GHAB in-vitro CCc1nn2c(nnc3c(=O)n(-c4ccccc4OC)ccc32)c1-c1ccccc1 12390861 IHVMFJYNSSDLNE-UHFFFAOYSA-N 397.438 3.666 0 40 GHAB CCN1C[C@@H](CN(C)C(=O)/C=C/c2nc3ccccc3o2)Oc2ccccc21 58175586 UJGZIUMXUUFGFD-CJTWTEFWSA-N 377.444 3.587 0 40 GHAB COc1cccc(NC(=S)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)c1 100427004 PYNPBMJFJIZTNT-IAGOWNOFSA-N 389.565 3.940 0 40 GHAB Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 22328561 VPTSKHYVDRGXNQ-GOSISDBHSA-N 388.533 3.564 0 40 GHAB COc1ccc(-c2nn(CN3CCOCC3)c(=S)n2-c2ccc(C)cc2)cc1 25356506 MWCRJGWSWOJURQ-UHFFFAOYSA-N 396.516 3.677 0 40 GHAB COc1cccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)c1 21275253 DPJXJODETFTRDW-UHFFFAOYSA-N 395.484 3.908 0 40 GHAB COCc1c(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)oc2ccccc12 57329950 QBWZCODQNOKDIF-UHFFFAOYSA-N 392.455 3.744 0 40 GHAB CCn1c(C)cc(C(=O)COC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c1C 26574171 UKUMTERVQZZWPF-UHFFFAOYSA-N 383.448 3.869 0 40 GHAB C[C@@H](NC(=O)N[C@H](C)c1cc2ccccc2o1)c1ccc(S(C)(=O)=O)cc1 10289713 QJIKURYFCMOKQQ-ZIAGYGMSSA-N 386.473 3.958 0 40 GHAB CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 3262981 GLDPHZIJLPQPFT-UHFFFAOYSA-N 396.512 3.749 0 40 GHAB COc1ccc(OCCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12773274 NKOQAHYUAJNWGZ-FQEVSTJZSA-N 397.471 3.989 0 40 GHAB CSc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)c(=O)[nH]1 68221426 XJRMGNNOFHLKGD-GOSISDBHSA-N 385.533 3.713 0 40 GHAB COc1ccccc1-c1ccccc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 48264500 QMXQKGIJQDVIAU-IBGZPJMESA-N 394.515 3.689 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)c2cc(=O)[nH]c3ccccc23)cc1OCC 16045303 JERJBJRZXWDMFX-CQSZACIVSA-N 380.444 3.817 0 40 GHAB COCCN(C(=O)CSc1nnc(C)n1-c1ccccc1)C1=CCCCC1 8780251 CKIMUNBEKLGPIR-UHFFFAOYSA-N 386.521 3.601 0 40 GHAB O=C(Nc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)s1)c1ccco1 12885493 BQUYISXNUOOQGE-UHFFFAOYSA-N 395.440 3.973 0 40 GHAB CCc1cccc(CC)c1-n1c(S[C@H]2CCOC2=O)nnc1-c1cccnc1 3428330 RIQFTJPRMCWAPY-KRWDZBQOSA-N 394.500 3.862 0 40 GHAB COc1ccc(N(CCC(N)=O)C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 12973018 JQZWFIIWCLIPSW-UHFFFAOYSA-N 388.467 3.813 0 40 GHAB C[C@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 12981032 XAZFQMIBQPIPPL-HNAYVOBHSA-N 384.451 3.611 0 40 GHAB COc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1 8007496 SVCBZYWKSOSGJH-UHFFFAOYSA-N 377.444 3.774 0 40 GHAB O=C(O[C@@H]1CCOC1=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 64135257 RUJYNNLLJVASEI-OAHLLOKOSA-N 395.180 3.853 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](C(F)(F)F)n4nccc43)c12 13642078 LIBSRVMVTZFAQF-CYBMUJFWSA-N 391.353 3.759 0 40 GHAB CCn1c(S[C@H](C(=O)NCc2ccccc2)C(C)C)nnc1-c1ccco1 14021938 UCMFKEJCSFAADM-KRWDZBQOSA-N 384.505 3.991 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 306136608 PYAFUJYCNMBQKU-LJQANCHMSA-N 398.470 3.515 0 40 GHAB O=C(Nc1ccc2oc(=O)ccc2c1)NC1CCN(c2ccc(F)cc2)CC1 65819873 WGYQLBFBTICXEU-UHFFFAOYSA-N 381.407 3.723 0 40 GHAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCc2nnc3ccccn23)c1 14304394 HFMBXWGDVINUEX-UHFFFAOYSA-N 384.439 3.507 0 40 GHAB CCOC(=O)c1c2ccc(OCc3nnc(S)n3CC)cc2n2ccccc12 5679256 HNUSEDJFHMVUQQ-UHFFFAOYSA-N 396.472 3.748 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1cc(NC(C)=O)ccc1OC 6831645 UDJSHFVGZFOCKD-NSHDSACASA-N 391.855 3.755 0 40 GHAB CC(C)(C)NC(=O)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 8747702 MPIIEEIKLHNLJG-UHFFFAOYSA-N 398.290 3.612 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 8735041 PAKJRFZGBFZDCW-JOCHJYFZSA-N 388.515 3.553 0 40 GHAB NC(=O)CSc1nnc(SCc2coc(-c3cccc(Cl)c3)n2)s1 26041568 AUDBLXVYZNQXML-UHFFFAOYSA-N 398.922 3.716 0 40 GHAB CNc1snc(C)c1C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 84026800 XAJRRXQDZDXSSF-UHFFFAOYSA-N 379.913 3.625 0 40 GHAB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(CCC(=O)O)oc2cc1O 19703209 LCTAXJLHFSHXLM-UHFFFAOYSA-N 392.411 3.632 0 40 GHAB biogenic CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(N2CCCC2=O)cc1 9365787 CGAYVVWXSLOTGC-UHFFFAOYSA-N 377.488 3.686 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ncnc2ccsc12 9390091 QYLADPODPWYZJJ-NSHDSACASA-N 384.486 3.547 0 40 GHAB Cc1ccc(C)c(N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 22329035 VIESXNPZRNNJSP-SFHVURJKSA-N 388.533 3.564 0 40 GHAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 408584889 WFPAXCLAIMFNQB-HNNXBMFYSA-N 375.494 3.504 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)Cn2c(=O)cnc3ccccc32)cc1 9549832 XXLZBMBXYPCZSX-FQEVSTJZSA-N 391.471 3.549 0 40 GHAB COC(=O)[C@H](C)[C@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccccc1 72312100 YJEUHHBKMBTXKD-KUHUBIRLSA-N 397.862 3.806 0 40 GHAB Cc1c(C(=O)Nc2ccc(N3CCCCC3)cn2)nnn1-c1ccccc1Cl 95947751 NWMNKJMNRWZRDT-UHFFFAOYSA-N 396.882 3.867 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)N3CCC[C@H]3c3ccccc3)C(=O)[C@@H]2C)cc1 9957756 NYYFEWCYLRJDEU-PXNSSMCTSA-N 391.471 3.516 0 40 GHAB CC(=O)Nc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(F)cc3)c[nH]2)cc1 67898760 XGCZPPASLGOGCV-NRFANRHFSA-N 394.450 3.748 0 40 GHAB biogenic,in-vitro Cc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 28943310 MADAYQKAZASROT-UHFFFAOYSA-N 398.459 3.968 0 40 GHAB Cc1noc(-c2ccc(C(=O)O[C@@H](C)C(=O)c3c[nH]c4ccccc34)cc2)n1 22829732 LZRUSUJPYDCOMT-LBPRGKRZSA-N 375.384 3.955 0 40 GHAB Cc1cccc(CN2C[C@H]3[C@@H](C2)N(Cc2cccs2)C(=O)c2cccn23)c1 306133690 MSWGGYWXTQSPKU-LEWJYISDSA-N 377.513 3.940 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCC1=CCCCC1 408550144 AEJMMJVLINUNNL-INIZCTEOSA-N 386.517 3.513 0 40 GHAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)N3CCc4ccccc4C3)nnc12 35289959 MPWNLPHXDUWSFK-KSFYIVLOSA-N 394.544 3.724 0 40 GHAB CC(=O)Nc1ccc(C(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)s1 32899779 USKNYSLKYLRWEZ-UHFFFAOYSA-N 397.432 3.982 0 40 GHAB COc1ccc(NC(=O)Nc2ccc3nc(N4C(=O)CCC4=O)sc3c2)cc1 409132381 ZNQUSNPTVZWUMQ-UHFFFAOYSA-N 396.428 3.602 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C 408611452 WHIVFBNYBUMTQP-UHFFFAOYSA-N 383.267 3.517 0 40 GHAB CCOc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(Br)cc1 219685255 BEYIJXAYQTVWNR-CYBMUJFWSA-N 378.266 3.932 0 40 GHAB C[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCC1)c1ccccc1 217476314 YGIVJKTXCLYIJJ-CQSZACIVSA-N 388.489 3.779 0 40 GHAB Cc1cccc(NC(=O)CSCc2cc(=O)n3cc(Cl)ccc3n2)c1C 33026811 GLRRMAMVAVDUBR-UHFFFAOYSA-N 387.892 3.837 0 40 GHAB COC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 39772350 KQAGZCNPZDJUTQ-UHFFFAOYSA-N 386.879 3.977 0 40 GHAB CCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)CCC2 72372954 KTDIVCBFGJBVBS-LJQANCHMSA-N 382.483 3.950 0 40 GHAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1cccc(Nc2ccccn2)n1 72375201 HQEKILZUTRUESA-SFHVURJKSA-N 398.463 3.885 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1 121208810 DBOINMDJWGGAHF-UHFFFAOYSA-N 377.516 3.940 0 40 GHAB O=C(CSc1nc2ccccc2s1)NCc1nc(-c2ccccc2)no1 36709804 SEDLPCSUKRRWAB-UHFFFAOYSA-N 382.470 3.755 0 40 GHAB O=C(CN1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCC1 72359393 NJPXAUUAJCYCNH-KRWDZBQOSA-N 384.911 3.599 0 40 GHAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N(C)CCCOc1ccccc1 47987028 ICAPLOGYSCDCRD-UHFFFAOYSA-N 381.476 3.820 0 40 GHAB COc1ccc2c(ccn2CC(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)c1 70666431 LENAJXSZXTWGBK-UHFFFAOYSA-N 389.455 3.725 0 40 GHAB biogenic CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 222684390 OIVAXANLNSJDCH-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2C)cc1 40915265 LWRPFJDFAFQEHT-FQEVSTJZSA-N 390.443 3.627 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 223592388 BHPBEHAOKKOVHU-OAHLLOKOSA-N 390.886 3.883 0 40 GHAB O=C(NCc1cc(F)ccc1Br)c1cc(=O)c2ccccc2o1 48355247 NVSIFFFTTDSXBA-UHFFFAOYSA-N 376.181 3.625 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 224309215 WIGYNBRTDYTWRP-IBGZPJMESA-N 390.886 3.965 0 40 GHAB COc1ccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)c(OC)c1 225808750 VHYKYOPUNPGYHF-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)ccc1Cl 223898840 PCOWOICZJBEWIS-UHFFFAOYSA-N 399.921 3.669 0 40 GHAB CC(C)Oc1cccc(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c1 220100330 YBZNMSNMNKXSBU-UHFFFAOYSA-N 396.896 3.532 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1 223723553 IFCHWDKATQLYGD-INIZCTEOSA-N 388.895 3.581 0 40 GHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccccc1 224051219 HERPIFUHNWVHAM-SFHVURJKSA-N 384.545 3.516 0 40 GHAB Cc1cc(Cl)c(NC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1Cl 578115422 HWNHFIDHWAXUEY-INIZCTEOSA-N 391.320 3.734 0 40 GHAB O=C(C1CC=CC1)N1CCC2(CC1)C[C@@H](C(=O)N1CCCC1)c1ccccc12 96079332 JKDADAAIIYKNBO-HXUWFJFHSA-N 378.516 3.623 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 96251298 ABDYPQRXTCMFPI-IBGZPJMESA-N 395.459 3.870 0 40 GHAB O=C(NC[C@H]1CCCOC1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257253619 JZPMRTOMXGIYFE-HXUWFJFHSA-N 394.515 3.631 0 40 GHAB CCOCCOc1ccc(CN(C)C[C@H](O)Cn2ccc3ccccc32)cc1 257265149 LXMSVMQXMIZMIC-NRFANRHFSA-N 382.504 3.550 0 40 GHAB CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccncn1 257290768 QEGHBUINOSSUTE-CFKFVRPNSA-N 390.531 3.565 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 260764061 JNZYAWPNTJIPJD-DBHHCQKHSA-N 396.512 3.832 0 40 GHAB COc1ccccc1C(=O)Nc1ccccc1Cc1nc(-c2ccncc2)no1 96357270 CNBRELROKLGMFE-UHFFFAOYSA-N 386.411 3.983 0 40 GHAB CC(C)(C)OC(=O)NC1CCN(c2nn3cc(C(C)(C)C)nc3s2)CC1 54061051 YVHCXLJUOWMXLF-UHFFFAOYSA-N 379.530 3.582 0 40 GHAB Oc1cc(C2CCN(Cc3ccc(F)c(F)c3)CC2)nc(-c2cccnc2)n1 72392770 NCXHVLLUYJYVTN-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB COc1ccc(Br)c(NC(=O)NC[C@H]2CCN(C(C)(C)C)C2)c1 665920470 IAIQCCGHCJNTOI-GFCCVEGCSA-N 384.318 3.700 0 40 GHAB O=C(CC1CCCCC1)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615156189 KKSXLMABYTUGSP-QFIPXVFZSA-N 388.483 3.521 0 40 GHAB CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)s1 5443150 VNPAHTOIVXKPAS-QMMMGPOBSA-N 388.312 3.819 0 40 GHAB O=c1[nH]ncc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1Cl 11607271 BYHWAPHQMCRPEY-UHFFFAOYSA-N 391.862 3.947 0 40 GHAB Cc1cc(C)n(-c2cccc(CN(Cc3ccc4c(c3)OCO4)C[C@@H](C)O)c2)n1 12185709 MRBNOKQYRMLVCE-GOSISDBHSA-N 393.487 3.601 0 40 GHAB O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)CCCC2 12330243 OXSDXEJQZORRNL-XZOQPEGZSA-N 393.527 3.950 0 40 GHAB Cc1ccc(C(=O)N(C)C2CCCCC2)cc1S(=O)(=O)N1CCCCC1 16025581 XANRBWBVZULVIN-UHFFFAOYSA-N 378.538 3.574 0 40 GHAB CCCc1nn(CC(=O)Nc2ccc(Cl)cc2)c(=S)n1-n1cccc1 16807004 FWNFPRNFDLTOIF-UHFFFAOYSA-N 375.885 3.772 0 40 GHAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)Cc4ccccc4)CCO3)n2)s1 643550596 KVHROMTVEGCSRC-SFHVURJKSA-N 394.500 3.733 0 40 GHAB O=C(CCN1Cc2ccccc2C1=O)N[C@H](Cc1ccsc1)c1nccs1 19375572 ZHYKKDRURWXPKG-QGZVFWFLSA-N 397.525 3.651 0 40 GHAB Cc1cc(C)c2nc(N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)sc2c1 1888914028 IPUUXJZLPMGKJN-UHFFFAOYSA-N 383.521 3.527 0 40 GHAB Cc1nc(N2CCC(COc3ccc(C4CC4)nn3)CC2)cc(C(F)(F)F)n1 1775995762 HTIBAEPKKVCIEN-UHFFFAOYSA-N 393.413 3.767 0 40 GHAB CCn1c(=O)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc2cccnc21 5304040 LENCWRGBENVQDL-UHFFFAOYSA-N 377.322 3.567 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)cc1OC 12444041 QBTXYEVWYZAUGZ-UHFFFAOYSA-N 375.787 3.934 0 40 GHAB COc1c(C[C@H]2CC(c3cccc(Cl)c3)=NO2)cc2c(c1OC)OCO2 15085942 WTIODNLHOQGQAG-AWEZNQCLSA-N 375.808 3.822 0 40 GHAB CN(C(=O)Nc1ccccc1F)C1CN(Cc2noc3ccc(Cl)cc23)C1 1775973150 LZEDXMXYXUWKNC-UHFFFAOYSA-N 388.830 3.968 0 40 GHAB Cc1cc(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)n(C)n1 1890133337 QJRZOBDUGPTPIC-UHFFFAOYSA-N 375.476 3.569 0 40 GHAB CCn1cc(-c2nc(-c3cc(OC)cc(OC)c3)no2)c(=O)c2ccccc21 45194348 NKAMJYVRMDHPPY-UHFFFAOYSA-N 377.400 3.756 0 40 GHAB O=C(CCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccc(F)cc1 40057658 KJYQSMNBIYSBSK-UHFFFAOYSA-N 377.419 3.981 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc3cn[nH]c23)C1 40091131 RLVGAAXELGPVRD-GJZGRUSLSA-N 376.460 3.933 0 40 GHAB COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3nc(NC(C)=O)nc3N2)cc1 2409639 CVEITRZQNJZSPD-MSOLQXFVSA-N 381.411 3.531 0 40 GHAB COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1cccc(O)c1 2433489 XUWCRMLQNOSMJU-IBGZPJMESA-N 393.439 3.697 0 40 GHAB CCn1ncc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1C 36614112 XVZKWAHZPSPYFI-UHFFFAOYSA-N 393.422 3.792 0 40 GHAB COC(=O)c1cc(I)ccc1OC(=O)c1ccc(C)cc1 1107784 NDDDBJHZVUICJC-UHFFFAOYSA-N 396.180 3.605 0 40 GHAB Cc1nc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)sc1C 1223197 RAUUTSWHKAHZPZ-UHFFFAOYSA-N 383.502 3.995 0 40 GHAB CC/C(NCCC1=CCCCC1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 101067787 CMCDYYVOGNWOBG-VHEBQXMUSA-N 381.476 3.722 0 40 GHAB CCc1c(C)sc2nc(NCCCO)n3nc(Cc4ccccc4)nc3c12 32071477 KZCOZTWHMYKXEY-UHFFFAOYSA-N 381.505 3.595 0 40 GHAB CCCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1C(C)C 4861088 BAEXIPRZIIDHRX-UHFFFAOYSA-N 379.555 3.878 0 40 GHAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c1 6245913 YDGAMFYUDHYSJP-UHFFFAOYSA-N 399.472 3.671 0 40 GHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 6362066 QNKAKZSYXIRATJ-UHFFFAOYSA-N 397.880 3.563 0 40 GHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 6386277 LLUIQRHXQFJHFT-UHFFFAOYSA-N 385.489 3.544 0 40 GHAB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccnc3)SC2=S)c(Cl)c1 6965028 IWCSXSKMVSIIEH-RIYZIHGNSA-N 389.889 3.590 0 40 GHAB Cc1cccc(-n2ncc3c(N4CCN(c5ccc(F)cc5)CC4)ncnc32)c1 2694931 LBDOIYNSODWDIO-UHFFFAOYSA-N 388.450 3.590 0 40 GHAB CCOC(=O)[C@H](NC(=O)c1ccccc1)c1c(C)nn(-c2ccc(F)cc2)c1C 32753609 LDCVOUBMERPMSD-HXUWFJFHSA-N 395.434 3.662 0 40 GHAB CCOC(=O)[C@@H]1CCCN(Cc2csc(-c3cccc(OC)c3OC)n2)C1 32758246 MUWDDKCBOHMXFS-CQSZACIVSA-N 390.505 3.602 0 40 GHAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)O[C@H]3C[C@H](C)OC3=O)cc12 32736208 CPCVBIQDXYEKKQ-XPTSAGLGSA-N 390.848 3.910 0 40 GHAB CCc1nnc2sc(-c3cccc(NC(=O)c4cccnc4Cl)c3)nn12 8071501 SRCPVTJGAWNXFX-UHFFFAOYSA-N 384.852 3.716 0 40 GHAB CCc1cccc2c(C(=O)COC(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)c[nH]c12 102257701 URJCAGVEYMGHSV-KKQCZIFWSA-N 381.472 3.788 0 40 GHAB Cc1ccc(S(=O)(=O)CC(=O)Nc2cc(C)c(Br)c(C)c2)cc1 8475389 ROADISAPJZESPJ-UHFFFAOYSA-N 396.306 3.787 0 40 GHAB O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1cccs1 2647551 SQMYMXYWXLDHBD-AWEZNQCLSA-N 382.407 3.688 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 32810715 TWZZKDQFSBSAIB-HXUWFJFHSA-N 392.455 3.679 0 40 GHAB CC(C)C(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)C1 37176209 ZVYGBVIXZIUFNX-LPHOPBHVSA-N 388.508 3.987 0 40 GHAB COc1cc(C2(CNC(=O)c3ccncc3)CCCC2)ccc1OC(F)F 32901821 SHMRREIWODLVOF-UHFFFAOYSA-N 376.403 3.933 0 40 GHAB COc1ccc(-c2cc(C(=O)NCCCN(C)C)c3ccccc3n2)c(OC)c1 2774063 MXSRLBCFUPOCEN-UHFFFAOYSA-N 393.487 3.601 0 40 GHAB COc1cc([C@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)ccc1O 102725033 ODSPIWBYCZGRBF-BUXKBTBVSA-N 378.388 3.651 0 40 GHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cnc(Cl)c(Br)c1 703784 SFMMOEHTRIDDPD-VIFPVBQESA-N 387.686 3.637 0 40 GHAB O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)N1CCCCC1 791301 NUWANUBFGYLHKX-UHFFFAOYSA-N 387.892 3.791 0 40 GHAB O=C(Nc1cccnc1N1CCOCC1)N[C@@H](c1ccc(F)cc1)C1CCC1 105015496 SSHCLHWTHJEDEP-LJQANCHMSA-N 384.455 3.720 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)NCC1(N2CCOCC2)CCCCC1 23760971 FFASZLVCZPKUJS-UHFFFAOYSA-N 395.547 3.545 0 40 GHAB CC(=O)N[C@H]1C(=O)N(CCOc2ccccc2Cl)c2ccc(Cl)cc21 100485755 YYRRWDUQLOHEEN-QGZVFWFLSA-N 379.243 3.596 0 40 GHAB O=C(CCC(=O)c1ccc2ccccc2c1)NCCc1ccc2c(c1)OCO2 24074604 TUMPYZGABSBESC-UHFFFAOYSA-N 375.424 3.890 0 40 GHAB C[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2[nH]1 12547460 BHMWDXUGQXCWOV-GFCCVEGCSA-N 385.851 3.798 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)o1 25043331 USYZHZACONHPFZ-DIMQALBXSA-N 399.512 3.632 0 40 GHAB COc1ccc(-n2c(-c3cccc(OC)c3)nn(CN(C)OC)c2=S)cc1 26606912 HWCMPUUETWNKSO-UHFFFAOYSA-N 386.477 3.538 0 40 GHAB CCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1OC 3283939 SPIAEOYSKAYJIN-HNNXBMFYSA-N 399.443 3.871 0 40 GHAB CCCc1nc(C)c(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)s1 57994258 OEROQGBSVUCWQA-HNNXBMFYSA-N 377.554 3.705 0 40 GHAB Cn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1ccncc1 3295772 XBBXCSIQUNPYLC-UHFFFAOYSA-N 395.307 3.676 0 40 GHAB O=C1NC2(CCCCCCC2)C(=O)N1Cc1cc(Cl)c2c(c1)OCCO2 58018692 JCMREJNQQRDSEH-UHFFFAOYSA-N 378.856 3.646 0 40 GHAB O=C(COC(=O)c1c(F)cccc1Cl)Nc1ncc(Cl)cc1Cl 3258827 KQIMUTGYOHSBJC-UHFFFAOYSA-N 377.586 3.976 0 40 GHAB CCn1c(SCc2ccc(OC)c(OC)c2)nnc(-c2ccccc2)c1=O 28537641 NMNCJVLUTKJPQX-UHFFFAOYSA-N 383.473 3.635 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1C 27310677 ZYRSCEDKYLVWGN-UHFFFAOYSA-N 378.428 3.844 0 40 GHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(-c2ccccn2)[nH]c1=O 58426940 HUNYVVNCEWACRH-CYBMUJFWSA-N 390.468 3.880 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc(OC(F)F)c2)c1 3394279 OIUZNHDVOLPXSJ-GFCCVEGCSA-N 377.343 3.675 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(-c3ccccc3)noc2C)c1C 3313990 LIDQTPDXGZMVGL-UHFFFAOYSA-N 380.400 3.837 0 40 GHAB COc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1OC 12776369 QDWKHDOKBFIUIS-GOSISDBHSA-N 388.895 3.924 0 40 GHAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCCSCc1ccccc1F 7638227 LDVIWQXUGOEIFW-QGZVFWFLSA-N 390.505 3.678 0 40 GHAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NCCNc1ccc(C(F)(F)F)cn1 48277379 RNZHDLAZYVZOSM-UHFFFAOYSA-N 395.429 3.771 0 40 GHAB Cc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 3483623 OINGEJPYRLWBQL-UHFFFAOYSA-N 378.384 3.636 0 40 GHAB CCc1c(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cnn1-c1ccc(C)cc1 12972898 OZZZKXFLYZGXRW-UHFFFAOYSA-N 390.487 3.762 0 40 GHAB Cc1ccc(NC(=S)NC2CCCCC2)cc1S(=O)(=O)N1CCCCC1 16155670 VRBPMTRFQPLIPA-UHFFFAOYSA-N 395.594 3.789 0 40 GHAB CCCNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 8568790 HBPBWOLIHJUOCG-UHFFFAOYSA-N 387.343 3.888 0 40 GHAB O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 8587341 XVSVJDAUGPFLRC-UHFFFAOYSA-N 392.908 3.521 0 40 GHAB COc1cccc(-n2nnnc2SCC(=O)Nc2ccc(C(C)C)cc2)c1 5016210 LMZHOIPLFQKBJC-UHFFFAOYSA-N 383.477 3.525 0 40 GHAB c1ccc(-n2c(Sc3ncccn3)nnc2[C@@H]2COc3ccccc3O2)cc1 8160483 CLOWREHVBHZMHU-KRWDZBQOSA-N 389.440 3.721 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O 8100253 IWLPGDDAHBTQPT-UHFFFAOYSA-N 398.459 3.536 0 40 GHAB O[C@H](CNCc1ccc2c(c1)OCO2)COc1ccc(-c2ccccc2)cc1 8132567 GOHBRFCNWFLFKH-HXUWFJFHSA-N 377.440 3.612 0 40 GHAB COc1cc(NC(=O)c2ccccc2Br)ccc1N1CCCC1=O 5440359 UXEPADYBHJVWHS-UHFFFAOYSA-N 389.249 3.837 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)nc2n1 14364033 BPWSABJDKOTFOX-UHFFFAOYSA-N 398.879 3.694 0 40 GHAB Cc1cc(C)c(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)c1 6648135 CGWOKNGBTKKWQX-UHFFFAOYSA-N 389.381 3.923 0 40 GHAB CCCC[C@@H](NC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O)C(=O)O 6624234 RNKDIXHHQDECEJ-OAHLLOKOSA-N 399.443 3.767 0 40 GHAB biogenic COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O 8311930 DZWORBYEMYEBBE-QHCPKHFHSA-N 394.471 3.988 0 40 GHAB CCCOc1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 5769202 NVWAITNASNXOGV-MRXNPFEDSA-N 399.443 3.627 0 40 GHAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NC[C@H]3CCCO3)c12 17076974 ZZNGCNVQOJEIGD-QGZVFWFLSA-N 376.460 3.515 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(c2ncnc3[nH]cnc23)CC1 9059823 GKPBPFOQBKFISE-UHFFFAOYSA-N 391.262 3.515 0 40 GHAB O=c1cc(CN2CCc3c(CN4CCCC4)cccc32)nc2ccc(Cl)cn12 72308811 IZGOXVRTWYPNAK-UHFFFAOYSA-N 394.906 3.506 0 40 GHAB Cc1nnsc1-c1nnc2sc(Cc3ccc(OC(F)(F)F)cc3)nn12 72403934 SDHQDBVHOROMHY-UHFFFAOYSA-N 398.395 3.502 0 40 GHAB COc1ccccc1-c1ccc(=O)n(CN2CCC(c3ccccc3)CC2)n1 72403691 VGELBBBVXVACSW-UHFFFAOYSA-N 375.472 3.756 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N2CCCCCC2)cc1 409338591 MQQSEWKLBIUWLA-UHFFFAOYSA-N 386.517 3.836 0 40 GHAB CCOC(=O)c1cnc2nc(C)ccc2c1N[C@H](C)Cc1c(C)nn(C)c1C 95403306 DFAPBVPMSMXRNA-CYBMUJFWSA-N 381.480 3.508 0 40 GHAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)c2ccc3c(c2)OCCO3)C1 78480283 LJXAQNWOTFJUIR-QZTJIDSGSA-N 394.515 3.866 0 40 GHAB O=C(CSc1ccccn1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 9967766 SKWVROBBLXBGCN-UHFFFAOYSA-N 384.501 3.573 0 40 GHAB Cc1cccc(COc2ccc(Br)cc2/C=C2/NC(=O)NC2=O)c1 27551258 XSZMBVWCCZGYIO-OQLLNIDSSA-N 387.233 3.517 0 40 GHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(C)c2ccccc12 408818778 QOGHARYJLFKJKT-UHFFFAOYSA-N 382.460 3.539 0 40 GHAB C=CC(=O)Nc1ccc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCCC2)cc1 1557224427 YBHWCPCIDSUIFG-NRFANRHFSA-N 378.472 3.835 0 40 GHAB CO[C@@H](CS(=O)(=O)Nc1nc(C)c(Cl)cc1Cl)c1ccc(F)cc1 530155177 ZNBXQUVJHYATEO-AWEZNQCLSA-N 393.267 3.965 0 40 GHAB COc1cccc2cc(C(=O)NC[C@H](O)c3ccc(C(F)(F)F)cc3)oc12 70639996 AWOLOZYOOKXSMN-AWEZNQCLSA-N 379.334 3.924 0 40 GHAB Cn1c(SCC(=O)c2cccc(Br)c2)nnc1-c1cccnc1 7779990 HXJZZJDCHOHPLS-UHFFFAOYSA-N 389.278 3.615 0 40 GHAB O[C@H](c1ccccn1)c1cccc(F)c1N1CCN(Cc2cccs2)CC1 72340698 VGILOYDLWYRZEQ-NRFANRHFSA-N 383.492 3.686 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1 223139623 ITXYOJJXTOYTIL-CVEARBPZSA-N 388.458 3.839 0 40 GHAB CCN(c1ccc(C(=O)N(C)Cc2ccco2)cc1)S(=O)(=O)c1ccccc1 224508891 YANQDWBNMIZCAW-UHFFFAOYSA-N 398.484 3.767 0 40 GHAB CCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224953474 AAFVWWUFYFEZOS-UHFFFAOYSA-N 397.880 3.741 0 40 GHAB Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 222715883 SHZZOCLVLWUWJJ-SFHVURJKSA-N 394.515 3.856 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 222973248 DJQCHMSYSATKPB-GOSISDBHSA-N 395.459 3.836 0 40 GHAB COc1cc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)cc(OC)c1OC 226268520 GWENFLPNLJKVCR-UHFFFAOYSA-N 385.464 3.537 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 44847623 GHCARRJDIGTPKQ-CABCVRRESA-N 394.924 3.680 0 40 GHAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1OCC 225769428 JFRHTKWFGXEPSQ-UHFFFAOYSA-N 397.471 3.949 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 224581819 LKFOQCWVAMQCCN-JOCHJYFZSA-N 396.531 3.798 0 40 GHAB COC(=O)c1ccc(CS(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 44904049 ROJHLAPBOOBOMN-UHFFFAOYSA-N 395.480 3.682 0 40 GHAB CCN1CCN(Cc2ccccc2CNC(=O)C[C@@H](C)c2ccccc2)CC1 40107968 LBBPQOBGENWNJG-HXUWFJFHSA-N 379.548 3.634 0 40 GHAB COc1ccc2cc(S(=O)(=O)NCCOc3cc(C)cc(C)c3)ccc2c1 224111611 CUOIWLBHGSJREQ-UHFFFAOYSA-N 385.485 3.823 0 40 GHAB O=C(NCCOc1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 225106063 DHFCENOGNSKBKE-SILNSSARSA-N 392.480 3.714 0 40 GHAB O=C(NCc1ccco1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079045 LVAWAPQPXDBBCG-UHFFFAOYSA-N 378.403 3.942 0 40 GHAB CCn1c(=O)sc2cc(NC(=O)c3ccc(CN4CCCC4)cc3)ccc21 225096176 FGSXXSKHYVKHSS-UHFFFAOYSA-N 381.501 3.931 0 40 GHAB O=C(NCc1cccnc1)c1ccccc1NC(=S)Nc1ccc(F)cc1 225459872 HTFFQVCKMTTXSE-UHFFFAOYSA-N 380.448 3.960 0 40 GHAB CN(Cc1cccnc1)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)C1 96220871 DOGRMEQXAKJMJO-FQEVSTJZSA-N 399.922 3.631 0 40 GHAB COc1cccc(-c2noc(CNC(=O)[C@H](C)SCc3ccccc3)n2)c1 95481664 YEPMIFKZIDCUSY-AWEZNQCLSA-N 383.473 3.683 0 40 GHAB CN(C)c1nc2ccccc2cc1[C@H]1CC(=O)Oc2ccc3nsnc3c21 96223799 OERFDGXSMHGEKA-GFCCVEGCSA-N 376.441 3.747 0 40 GHAB CCn1cc([C@H]2OCC[C@@H]2C(=O)N(C)c2nc3c(Cl)cccc3s2)cn1 580836941 MYBKZLYDKFQTQC-BLLLJJGKSA-N 390.896 3.907 0 40 GHAB Cn1ccnc1C(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257322025 WEHVLFXMRRWFTC-HNNXBMFYSA-N 384.867 3.672 0 40 GHAB COc1ccccc1CN1CCC(c2n[nH]cc2C(=O)N2CCCCCC2)CC1 257245144 IOFSYTAQSSZKHY-UHFFFAOYSA-N 396.535 3.814 0 40 GHAB CCCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCC[C@H](C)C2)n1 260737566 LXLRYVOIUSJSQY-HOTGVXAUSA-N 390.601 3.646 0 40 GHAB C[C@H](c1nc(-c2ccnc(C(F)(F)F)c2)no1)n1ccc(C(F)(F)F)n1 632143979 IUJDVSPWBJLBRT-SSDOTTSWSA-N 377.248 3.975 0 40 GHAB COc1ccccc1[C@H](O)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 1135957564 KXEHPASGPXQKTM-SFHVURJKSA-N 382.441 3.681 0 40 GHAB CNC(=O)c1cccc(CCNC(=O)N2CCC[C@@H]2c2c(C)cccc2C)c1 660730312 ZVRVGEDENVYIDT-HXUWFJFHSA-N 379.504 3.752 0 40 GHAB C[C@H](O)CNc1nc2ccccc2n1Cc1ncc(Br)cc1Cl 663922083 PLAQZUOPZFXBRM-JTQLQIEISA-N 395.688 3.688 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)nc1)[C@@H]1CCCN1Cc1ccccn1 673644762 SFPVSMGUWFGJCX-NRFANRHFSA-N 388.471 3.659 0 40 GHAB CC(=O)c1sc2nc(SCC(=O)Nc3cccc(C)c3)nc(O)c2c1C 1615589155 JBQOPKHMGPJWLB-UHFFFAOYSA-N 387.486 3.947 0 40 GHAB COc1cc(C)ccc1CN1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615127402 GIZHQGJGJFNHGK-QHCPKHFHSA-N 398.478 3.541 0 40 GHAB COc1cccc([C@H]2C[C@H](C)CN2S(=O)(=O)c2c(F)cc(F)cc2F)c1 1663033723 KFPQMOONBMBLJK-APPDUMDISA-N 385.407 3.884 0 40 GHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)NC3CCCCC3)o2)c(OC)c1 5392081 OGGQRNGIRYQPFH-LBPRGKRZSA-N 391.493 3.683 0 40 GHAB COC(=O)c1ccc(OCCOc2cccc(Br)c2)c(OC)c1 5453030 VHQASHPFPKDIMP-UHFFFAOYSA-N 381.222 3.702 0 40 GHAB CCOc1ccc(CCNC(=O)COc2cccc(Cl)c2)cc1OCC 5869074 DKSFUXDHOWXVEW-UHFFFAOYSA-N 377.868 3.875 0 40 GHAB COc1cc(C)c(CNC(=O)c2cnn3c(C)c(C(C)=O)cnc23)cc1C(C)C 12193791 LHWSNMQCUXURSX-UHFFFAOYSA-N 394.475 3.611 0 40 GHAB COCC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccc(C(C)(C)C)cc3)c2C)C1 15673951 PEWLBCNNDKGAON-IEBWSBKVSA-N 381.520 3.961 0 40 GHAB biogenic,in-vitro CC(=O)N1CCc2nc([C@H]3CCCCN3Cc3ccc(C)c(C)c3)ncc2C1 19213992 CYNBMLAWYFCXJO-JOCHJYFZSA-N 378.520 3.725 0 40 GHAB Cc1cccc(-c2ccccc2C[C@]2(C(N)=O)CCN(C(=O)C3CCC3)C2)c1 19235455 GENMSGUVOYGUMC-XMMPIXPASA-N 376.500 3.709 0 40 GHAB O=C(CCc1nc(-c2cccnc2)no1)NCC1(c2ccccc2F)CCCC1 19347943 DDOQNPDSXSFBKN-UHFFFAOYSA-N 394.450 3.832 0 40 GHAB CCC[C@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCCC2)CC1 19501958 KYIDZJIRUXDCMT-LJQANCHMSA-N 388.585 3.574 0 40 GHAB COc1cccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)c1 19564512 LFSQJEUIIANPCA-SFHVURJKSA-N 395.484 3.874 0 40 GHAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C2CCCC2)n1 19697374 VWDMOOHQBJTBOO-OAHLLOKOSA-N 397.498 3.552 0 40 GHAB O=C(c1cccnc1)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 19703600 QPVLWKRGGMNZAJ-FQEVSTJZSA-N 380.423 3.543 0 40 GHAB CC(C)CO[C@H]1[C@@H]([C@@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@H]12 12382332 DSAJOXMMUNNHIK-PXTPFGJHSA-N 396.524 3.904 0 40 GHAB biogenic COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 13358639 VUJMMVUNFQVFMI-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)Nc5ccccc5Cl)C[C@H]4C3)n1)CCC2 1888904006 MVPAPRMMPDZUQZ-HUUCEWRRSA-N 397.910 3.527 0 40 GHAB Fc1ccc2nc(N3C[C@@H]4CN(c5ncccc5C(F)(F)F)C[C@H]4C3)oc2c1 1888918077 XZPMOUKFRVJSME-RYUDHWBXSA-N 392.356 3.953 0 40 GHAB O=C1OCCN1c1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 31720044 VPULARMISIEJHF-UHFFFAOYSA-N 387.244 3.751 0 40 GHAB CC(C)(C)OC(=O)N1CCO[C@H](c2cccc(-c3cnc4ccc(F)cn34)n2)C1 2037846137 PXRSCPGEKBZADK-SFHVURJKSA-N 398.438 3.844 0 40 GHAB Cc1c(Cl)ccc2sc(N(CCCN(C)C)C(=O)c3ccn(C)n3)nc12 13667381 VSVPQTSYMXAGKD-UHFFFAOYSA-N 391.928 3.590 0 40 GHAB O=C1[C@H]2[C@@H]3C[C@H]([C@H]4C(c5ccccc5Cl)=NO[C@H]34)[C@H]2C(=O)N1c1ccccc1 100204743 SQDUIBLQVHZPAX-RWBHLXPASA-N 392.842 3.515 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCC[C@@H](O)c2cccc3ccccc23)cc1C 77118388 ZZOZWAXXCRQCBH-OAQYLSRUSA-N 376.456 3.635 0 40 GHAB CSc1ccc(CN(C)C(=O)[C@@H](C)n2c(C)nc3ccccc3c2=O)cc1 30586045 WZURKRURZOXZAK-CQSZACIVSA-N 381.501 3.646 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CNC1CCN(C(=O)c2ccoc2)CC1 30669203 JLKFENLTEYIPPJ-UHFFFAOYSA-N 392.503 3.536 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3cccc(C)c3n2)cc1 20368472 CHIOZHGWDSQTQO-UHFFFAOYSA-N 389.499 3.581 0 40 GHAB COc1ccc(C2(C(=O)Nc3nc(-c4cccnc4)cs3)CCOCC2)cc1 71285093 AYECQTLTMQNEKJ-UHFFFAOYSA-N 395.484 3.901 0 40 GHAB CC(C)Cn1cc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)c2ccccc2c1=O 71284698 KNJCPOZEIMESHA-INIZCTEOSA-N 398.488 3.613 0 40 GHAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)ccc1N1CCCC1 11324641 FLJFWEYASDXJGI-HXUWFJFHSA-N 391.515 3.625 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C)cc1C 873980 PFVRIIRXDQOOAV-UHFFFAOYSA-N 399.495 3.914 0 40 GHAB CC(C)CNC(=O)c1cc2ccc(OC(=O)c3ccccc3F)cc2oc1=O 941590 WCSHNDAWWKJKKB-UHFFFAOYSA-N 383.375 3.537 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)O[C@@H](C)c1nnc(-c2cccc(C)c2)o1 11581327 RVXWSPJETYGKOJ-HNNXBMFYSA-N 389.411 3.776 0 40 GHAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(C3CC3)n2C)o1 8191571 QUFYCKFAFMIIDY-UHFFFAOYSA-N 394.460 3.998 0 40 GHAB O=C(Nc1ccc2c(c1)CCC2)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 8184566 YTNOJEMCBCMNBB-QGZVFWFLSA-N 387.526 3.707 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl 1085608 BIWKFYBCSSJYIH-HNNXBMFYSA-N 399.878 3.852 0 40 GHAB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCCC1 1355066 MQDAGKFYKVLYIK-UHFFFAOYSA-N 397.450 3.759 0 40 GHAB CCc1ccccc1-n1c(SCC(=O)NCC(C)C)nnc1-c1cccnc1 1362367 AQBAPYWSDYIMSX-UHFFFAOYSA-N 395.532 3.756 0 40 GHAB Cc1ccc(C(=O)Nc2nnc(SCC(=O)N(C(C)C)C(C)C)s2)cc1 1371423 YTPGQUZJJHSINF-UHFFFAOYSA-N 392.550 3.836 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(N2CCOC2=O)c1 31928555 WEPKMGVZVHILPG-UHFFFAOYSA-N 375.428 3.989 0 40 GHAB CC(=O)c1ccc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 8131672 XUVBNEKGZDDTTO-HXUWFJFHSA-N 395.455 3.793 0 40 GHAB CCOc1c(OC)cc(-c2nnc(SCCN(CC)CC)o2)cc1OC 1872009 NUJNXEZGNOZAOS-UHFFFAOYSA-N 381.498 3.586 0 40 GHAB CCOC(=O)[C@H]1CCCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)C1 4084045 XQDHJGCDKQBSMO-KOLGCSPPSA-N 389.536 3.576 0 40 GHAB biogenic CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O 20671106 KSGRNDFUBICTIF-CQSZACIVSA-N 397.450 3.746 0 40 GHAB O=C(COc1ccc(-c2ccccc2)cc1)NC[C@H]1COc2ccccc2O1 6881214 FBFHDYNTYPMWMN-FQEVSTJZSA-N 375.424 3.689 0 40 GHAB CCCCC1CCC(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 7628948 XZVQNCSLCJTIET-HSBZDZAISA-N 380.510 3.714 0 40 GHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc(Cl)cn1 8519209 DKINWKKDVOOJEY-UHFFFAOYSA-N 385.880 3.924 0 40 GHAB CC(C)Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cc1 58803684 GLKMBXFMHWIESP-UHFFFAOYSA-N 379.504 3.592 0 40 GHAB CCC[C@H](NC(=O)[C@H](C)Sc1nnc(C(F)(F)F)n1C)c1ccccc1 21335194 BGYVHXJYYXLNAZ-AAEUAGOBSA-N 386.443 3.972 0 40 GHAB CSCC[C@@H](NC(=O)c1ccc(NC(C)=O)cc1)c1nc2ccccc2[nH]1 2628789 GUHQABCSYSAAGY-GOSISDBHSA-N 382.489 3.746 0 40 GHAB Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)N(C)C(=O)[C@H](C)O4)no2)cc1 41155952 YPIAOXDYXZSVHF-ZDUSSCGKSA-N 377.400 3.646 0 40 GHAB C[C@H](Sc1nnc(C2CC2)n1N)C(=O)Nc1ccc(Oc2ccccc2)cc1 8010635 DGTMUPQYVBTNIJ-ZDUSSCGKSA-N 395.488 3.781 0 40 GHAB CNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 10157212 DNIWILKRLPKHJA-AWEZNQCLSA-N 381.867 3.887 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 32841560 XQHLFOZERIMGOD-CYBMUJFWSA-N 378.881 3.879 0 40 GHAB O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1CCCN(c2cnccn2)C1 32924353 GWCYSYVVUXCOKM-IBGZPJMESA-N 388.471 3.802 0 40 GHAB Cc1cc(NC(=O)COc2ccc(NC(=O)c3ccccc3Cl)cc2)no1 32910846 LFXMYWNNAAOKST-UHFFFAOYSA-N 385.807 3.906 0 40 GHAB Cc1ccc(CCC2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)cc1 10960309 NVUQQQCFBPXLBQ-UHFFFAOYSA-N 375.472 3.717 0 40 GHAB Cc1noc(-c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)n1 32905848 OMYSQRAPWSDSHK-UHFFFAOYSA-N 390.443 3.923 0 40 GHAB CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nc2ccccc2c1=O 22056389 RBAXCFFSCJOAQE-HUUCEWRRSA-N 381.501 3.774 0 40 GHAB COc1cccc(CC(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C)nn43)CC2)c1 100159328 LOLCAFCQCDFKKM-IZAXUBKRSA-N 392.503 3.679 0 40 GHAB O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCc2sccc2C1 12216487 DAEUEFHOAZGRLB-UHFFFAOYSA-N 398.509 3.747 0 40 GHAB O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1ccc2c(c1)OCCCO2 23175417 HGDONDMKABTTGO-UHFFFAOYSA-N 399.424 3.803 0 40 GHAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 23805636 ALPVPVGQMKFUTN-DNVCBOLYSA-N 391.471 3.983 0 40 GHAB C[C@@H](CCc1ccco1)NC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12321097 JFFLPMNJVUMQMU-WMZOPIPTSA-N 393.487 3.751 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101420565 JJCQAOSVQPOVIA-KODHJQJWSA-N 392.842 3.904 0 40 GHAB COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1 20611501 QUPPVMCTRHYLFD-UHFFFAOYSA-N 391.265 3.547 0 40 GHAB COc1cccc(C(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CNC(C)=O)CC2)c1 100750302 NXFHEJVICVFVAV-KGVIQGDOSA-N 395.503 3.504 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H]1c1cccc(Br)c1 55785416 KEYYXEHAZBLYPF-KRWDZBQOSA-N 376.298 3.706 0 40 GHAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N[C@H](c1ccc(Cl)cc1)C1CC1 43717549 UUVAWHXXIDBZSJ-LRDDRELGSA-N 389.849 3.975 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 57432066 VEAYSYRGQNVMGX-JOCHJYFZSA-N 392.478 3.522 0 40 GHAB Cc1ccc(NC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)c(C)c1 57506212 JIDBMUSHOYJXIP-UHFFFAOYSA-N 380.423 3.690 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(-n2cccc2)cc1 12557760 YZSVJARCPTZFGG-UHFFFAOYSA-N 395.484 3.514 0 40 GHAB CC1CCN(C(=O)C2CCN(C(=O)CCc3cccc(Cl)c3)CC2)CC1 58192702 MSEHVYBLEKSCIH-UHFFFAOYSA-N 376.928 3.770 0 40 GHAB O=C(Nc1ccc(Cc2ccncc2)cc1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 58289440 FOKNGFNSEVCHOM-VXKWHMMOSA-N 395.503 3.864 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccccc1F 2213786 PTUWYCHIRCFHPN-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ncc(Cl)cc1Cl 3257794 FEUOBHONYRVPTF-UHFFFAOYSA-N 389.622 3.603 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1cccc(Br)c1)c1ccccc1F 12629428 MQBJXMSKEUNHOR-MRXNPFEDSA-N 388.240 3.841 0 40 GHAB Cc1ccc(NC(=O)COC(=O)Cc2ccc(Br)cc2)cc1C 3311415 JRKJACDBJKGIDD-UHFFFAOYSA-N 376.250 3.790 0 40 GHAB CCCn1nc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)ccc1=O 48280172 WWAUYDYAVWGQAU-GOSISDBHSA-N 385.514 3.564 0 40 GHAB C[C@@H](c1ccccc1)n1cnnc1S[C@@H](C(=O)NC1CC1)c1ccccc1 48355994 LLEDYSMDXZOKJD-HNAYVOBHSA-N 378.501 3.999 0 40 GHAB COc1ccc(C)cc1N1C[C@@H](C(=O)N(C)c2nc3ccccc3s2)CC1=O 12812422 HHXLQSGWPZVZLC-AWEZNQCLSA-N 395.484 3.629 0 40 GHAB Cc1cc(C)c2cc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)[nH]c2c1C 12867248 FVIVCUBWJBVITN-UHFFFAOYSA-N 380.473 3.663 0 40 GHAB CCOC(=O)c1cc(NC(=O)c2c(F)cccc2F)cc(C(=O)OCC)c1 12883674 YGZCJKJJLLHEQH-UHFFFAOYSA-N 377.343 3.571 0 40 GHAB Cc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1NC(=O)c1ccco1 3488231 USAYYIVMAORZQV-HOTGVXAUSA-N 398.459 3.787 0 40 GHAB Cc1ccc(CNC(=O)[C@@H](C)n2c(=O)c(C(F)(F)F)nc3ccccc32)cc1 12985810 OSBYFHCFFLCETM-CYBMUJFWSA-N 389.377 3.601 0 40 GHAB CC[C@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccc(C)cc1 13000966 CQQQWDBLEKYTMK-INIZCTEOSA-N 395.528 3.982 0 40 GHAB COc1ccc(OC)c(C(=O)COC(=O)COc2ccc(C(C)C)c(C)c2)c1 5084755 YFTPROSJVWCKCD-UHFFFAOYSA-N 386.444 3.941 0 40 GHAB CCN(CC)C(=O)/C(=C\c1cn(C)c2ccccc12)NC(=O)c1ccccc1 5157682 LSNQMGXGONNEQB-HMMYKYKNSA-N 375.472 3.818 0 40 GHAB CCc1nc(N2CCN(C(=O)c3ccccc3)CC2)c2oc3ccccc3c2n1 5163971 GLCJRWVZXGMMAM-UHFFFAOYSA-N 386.455 3.901 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)ccc1OC 20025218 DSJHYEYCFWNOGT-GFCCVEGCSA-N 396.896 3.737 0 40 GHAB COc1cc(CNn2cn[nH]c2=S)cc(Cl)c1OCc1ccccc1 5432781 HTGLWLQNFCHDJO-UHFFFAOYSA-N 376.869 3.925 0 40 GHAB O=C(Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)N1CCCCC1 5902045 WYKMOZFHPRTGHB-UHFFFAOYSA-N 387.892 3.860 0 40 GHAB CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cnc2ccccc2n1 59577491 NCBVDZVRRPTBMP-CQSZACIVSA-N 377.366 3.525 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1I 7051265 MEKZHPVJCVVRGQ-UHFFFAOYSA-N 391.205 3.540 0 40 GHAB O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1c(F)cccc1Cl)C1CC1 15363712 ZDIFOZNIPPLKBP-UHFFFAOYSA-N 397.855 3.604 0 40 GHAB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(c2ncnc3[nH]cnc23)CC1 9060449 NOIVXBPJFHTQLP-UHFFFAOYSA-N 391.262 3.515 0 40 GHAB COc1cccc2sc(NC(=O)[C@H](NC(=O)c3cccs3)C(C)C)nc12 9336969 BZIRIIBZHFSHCT-CQSZACIVSA-N 389.502 3.760 0 40 GHAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1C(=O)O 83953004 ZZWHIQKGJUKLMK-UHFFFAOYSA-N 397.452 3.789 0 40 GHAB NC(=O)c1ccc(NC(=O)NCCc2nc3cc(F)ccc3s2)cc1Cl 84350517 NKLOXKDRRJOLLS-UHFFFAOYSA-N 392.843 3.552 0 40 GHAB O=C(c1n[nH]nc1Nc1ccccc1F)N1CCC(Cc2ccccc2)CC1 67284388 JSMWCGJNSMYYST-UHFFFAOYSA-N 379.439 3.782 0 40 GHAB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)C3CC3)c3nnnn3c2c1 35289704 MBZXMRDGZCIHRT-UHFFFAOYSA-N 385.471 3.567 0 40 GHAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2CC2CCCCC2)n1 35424864 WBUSDXBLIWGTOR-SFHVURJKSA-N 385.512 3.907 0 40 GHAB biogenic,in-vitro CCSc1ccccc1NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1 30847878 XSKOXZIKDRNJJZ-UHFFFAOYSA-N 378.519 3.837 0 40 GHAB Cn1ncc2c1CCC[C@H]2NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 543256966 QWGFWSUQZGNJTK-CQSZACIVSA-N 390.365 3.901 0 40 GHAB CCCCCOc1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 31923354 KAKJORSWKGVHSZ-UHFFFAOYSA-N 378.513 3.799 0 40 GHAB CC(C)(C)NC(=O)CSc1nnc2n(Cc3ccccc3)c3ccccc3n12 35315082 UVRCUZKQSDZMRP-UHFFFAOYSA-N 393.516 3.739 0 40 GHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCCCOC 38753895 ZWJKWZKCCHUNHS-IBGZPJMESA-N 384.476 3.557 0 40 GHAB Cn1ccnc1[C@H]1C[C@@H](NC(=O)Nc2ccc3c4c(cccc24)CC3)CCO1 562589449 VHCULAFDOVQBOL-QFBILLFUSA-N 376.460 3.714 0 40 GHAB O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N1CC[C@@H]2CNC[C@@H]2CC1 562761533 BKBBSCYHHYQHKI-PHIMTYICSA-N 393.356 3.770 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1 225199338 GVTHGFJEJQIGRP-MRXNPFEDSA-N 388.458 3.841 0 40 GHAB Cc1cccc(CS(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)c1 223625599 DVABYYJYGDQQGX-UHFFFAOYSA-N 385.489 3.788 0 40 GHAB COc1cccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225652221 CRMGPNDLPMNCKN-GOSISDBHSA-N 382.504 3.570 0 40 GHAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1F 225452941 BEPRVJYGJGZCGV-NRFANRHFSA-N 384.495 3.744 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[C@@H](O)CN1CCN(c3ccccc3)CC1)C2 226625495 JQRIJBVNFRDMPG-OHCHIEETSA-N 386.580 3.791 0 40 GHAB COc1cc(N2CCC(C)CC2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225957210 XKWWDPITWGNJJV-OAHLLOKOSA-N 385.537 3.769 0 40 GHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccccc2F)CC1 224923032 UDOWICUJUIWIGV-QGZVFWFLSA-N 382.479 3.821 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223869871 SZYADNXFRVOUHQ-OXQOHEQNSA-N 389.517 3.742 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225184459 HTRCGUSPLPGCTN-HNNXBMFYSA-N 390.936 3.986 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)c1 224855804 QHNNWWKZZQISBU-VQTJNVASSA-N 394.500 3.912 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 223504937 AAUKIUOPOHBZNF-SFHVURJKSA-N 384.545 3.782 0 40 GHAB CCOCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1 225584736 HIZGYTGHXADSBG-UHFFFAOYSA-N 399.487 3.797 0 40 GHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CC 224611685 QOUHFBZGMMNSOK-NRFANRHFSA-N 382.504 3.571 0 40 GHAB COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1cccc(OC(F)F)c1 77200058 BSDUSFKWESTUEH-INIZCTEOSA-N 394.349 3.731 0 40 GHAB O=C(C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21)N1CCOCC1 96052797 RYBDPVDWMBGRJT-HXUWFJFHSA-N 394.515 3.550 0 40 GHAB CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccc(Cl)cc1Cl 96521414 PNUUCKDUJWXICH-WDEREUQCSA-N 376.099 3.573 0 40 GHAB COc1cccc(Cc2cnc([C@]3(C)CCCN(C(=O)C4CCOCC4)C3)o2)c1 257340254 ZFFJSTMSZFPMHJ-HSZRJFAPSA-N 398.503 3.581 0 40 GHAB O=C(N1CCC[C@@H](Cc2cccnc2)C1)C1(c2ccccc2F)CCOCC1 257219865 DINZFLYNTUDVDJ-IBGZPJMESA-N 382.479 3.750 0 40 GHAB O=C(O)[C@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1ccccc1OC(F)F 621588472 YRHGHWDYIWDWDO-JKSUJKDBSA-N 375.371 3.647 0 40 GHAB CCOc1ccc(C[C@@H](C)CNS(=O)(=O)c2cccc(Cl)c2O)cc1 1664302211 KKCFLENFZBCWRL-CYBMUJFWSA-N 383.897 3.601 0 40 GHAB CO[C@@](C)(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1F 96123588 BOFZZELWRORSIM-FQEVSTJZSA-N 377.481 3.545 0 40 GHAB CCOc1ccc(CCNC(=O)/C=C/c2ccc(OC)cc2OC)cc1OCC 3257855 PYTFKRAXUGBADK-FMIVXFBMSA-N 399.487 3.873 0 40 GHAB CCCn1c(=O)n(C2CCCCC2)c(=O)c2c3c(sc21)COC(C)(C)C3 5274485 ODBWQXWASKTERS-UHFFFAOYSA-N 376.522 3.991 0 40 GHAB Cc1ccc(C)c2c1[nH]c1nc(SCC(=O)Nc3ccccc3F)nnc12 5489313 JZUIVVCACCTQKX-UHFFFAOYSA-N 381.436 3.993 0 40 GHAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccco3)[C@H]2C(=O)N1c1ccc(Cl)cc1 11847568 ZFLJYOAQDAVHEY-CEXWTWQISA-N 394.814 3.984 0 40 GHAB COc1ccc(-c2nnc3ccc(Oc4ccc(NC(C)=O)cc4)nn23)cc1 12406710 GKWQUTOLUXPZCZ-UHFFFAOYSA-N 375.388 3.551 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3cccnc3)cc2n1 13225483 NIBLWOIQIDCYQC-OAHLLOKOSA-N 389.381 3.819 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13685489 WJBVFBOFRNSVBU-MRXNPFEDSA-N 392.455 3.622 0 40 GHAB COc1ccc(/C=C/C(=O)NCCSC2CCCCC2)c(OC)c1OC 14153225 ZREUAAIALYWAFY-ZRDIBKRKSA-N 379.522 3.908 0 40 GHAB CCOc1ccc(CN2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cc1OC 19533889 RDRCPEMBNXWTQP-FQEVSTJZSA-N 396.535 3.599 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)CN(Cc3ccccc3)C4)nc2n1 19656579 IACNNCIGYVXWDX-UHFFFAOYSA-N 398.470 3.509 0 40 GHAB Cc1ccccc1-n1nc(C)c(-c2cncn2[C@H](C)CN2CCOCC2)c1C 19719665 VQOOUECSBIMLAR-QGZVFWFLSA-N 379.508 3.554 0 40 GHAB Cc1nc([C@H]2CCCCN2C(=O)CC(C)C)nc2c1CCC(=O)N2CC1CC1 19740495 FGIDKWQXAKUEIV-GOSISDBHSA-N 384.524 3.574 0 40 GHAB CN1CCN(Cc2ccccc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19589502 OAVMFYKLNCRVGZ-DEOSSOPVSA-N 385.511 3.882 0 40 GHAB O=C(NCCOC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccnc1 3187440 ABSOXSKXTOTNGM-UHFFFAOYSA-N 397.434 3.884 0 40 GHAB COc1ccc(CNC(=O)CSc2ccc(Br)cc2C)cn1 10990566 XCZMOANARKVNMA-UHFFFAOYSA-N 381.295 3.570 0 40 GHAB O=C(CSc1nccn1Cc1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 4248743 GWOMCKQOHFBIER-UHFFFAOYSA-N 399.447 3.573 0 40 GHAB Cc1ccc(-n2nnc3c(=O)n(Cc4ccc(C(F)(F)F)cc4)cnc32)cc1C 5057180 CDRKRBZSQWWGLM-UHFFFAOYSA-N 399.376 3.661 0 40 GHAB Cc1ccc(CNC(=O)CSc2nccn(-c3ccc(C)c(C)c3)c2=O)cc1 7615790 GEZNIGWFSNRFNE-UHFFFAOYSA-N 393.512 3.566 0 40 GHAB COc1ccc(-c2c(-c3ccc(Cl)s3)[nH]c3c2c(=O)[nH]c(=O)n3C)cc1 15085058 STPIHOJDAUZRSN-UHFFFAOYSA-N 387.848 3.612 0 40 GHAB Cc1ccccc1C(=O)NC(NCc1cccnc1)(C(F)(F)F)C(F)(F)F 19938853 RSPLXDZVSSFNDH-UHFFFAOYSA-N 391.315 3.731 0 40 GHAB CC(C)N(C(=O)CN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)C1CCCCC1 40066982 OTNJVPGBKPZLRX-QGZVFWFLSA-N 394.581 3.653 0 40 GHAB COc1cc(OC)c(NC(=O)COC(=O)c2ccc(C)c(F)c2)cc1Cl 11385563 MRKLESWDCXHWCL-UHFFFAOYSA-N 381.787 3.600 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2ccncc2)cc1 905139 MZVZRKLORQDNLD-UHFFFAOYSA-N 393.516 3.789 0 40 GHAB CCOC(CSc1nc(N)c2c3c(sc2n1)CO[C@H](C(C)C)C3)OCC 2214758 QCRXDRGJOBFLQE-LBPRGKRZSA-N 397.566 3.862 0 40 GHAB CCCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(CC)cc1 3580333 LRFLQSVKXLRMPC-UHFFFAOYSA-N 395.532 3.900 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)cc1 4880726 WUWHFDWHYJVXLV-UHFFFAOYSA-N 384.388 3.628 0 40 GHAB CCCCOc1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 4996746 VBUSBBXDFGLVLW-UHFFFAOYSA-N 385.416 3.691 0 40 GHAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c(O)c1 7396632 AARVAWNVMZBWSM-SNVBAGLBSA-N 383.322 3.604 0 40 GHAB O=C(O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 7928383 KQGPQYZOEKEZJR-LLVKDONJSA-N 393.226 3.683 0 40 GHAB CCc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 8414356 NZEGDIYVRLYWCD-UHFFFAOYSA-N 382.460 3.766 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 100750073 CIJKRHRYJALARW-SELNLUPBSA-N 397.494 3.563 0 40 GHAB NS(=O)(=O)c1ccc(-c2nc(-c3cccc(Br)c3)cs2)cc1 58173136 FOFAYRTXWIRWDH-UHFFFAOYSA-N 395.303 3.887 0 40 GHAB CCOC(=O)[C@H](NC(=O)[C@@H]1CC=CCC1)c1c(C)nn(-c2ccccc2)c1C 32740934 ZWEDKYNCEUPFPA-YLJYHZDGSA-N 381.476 3.566 0 40 GHAB Cc1ccc(C(N)=O)c(OCc2nnc(-c3c(-c4ccccc4)noc3C)o2)c1 32789228 ROUMVWQZLJQTGN-UHFFFAOYSA-N 390.399 3.686 0 40 GHAB Cc1nc2ccccc2nc1COC(=O)C1CCN(C(=O)c2cccs2)CC1 32736697 GVRAVKLHADYVLI-UHFFFAOYSA-N 395.484 3.595 0 40 GHAB Fc1ccc(CN(Cc2ccco2)Cc2nnnn2Cc2ccc(F)cc2)cc1 57614189 XSOUSZIZODLNIK-UHFFFAOYSA-N 395.413 3.795 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)Cc2cccc(C)c2)c2ccccn2)CC1 100750323 NWGWAWFODDJARA-NHCICSSKSA-N 393.531 3.733 0 40 GHAB Cn1ccnc1C1(O)[C@@H]2CCC[C@@H]1CN(Cc1ccc(OC3CCCC3)cc1)C2 100150111 CKUOTEWSNUKNKN-WOJBJXKFSA-N 395.547 3.861 0 40 GHAB O=C(NC1CCC(C(F)(F)F)CC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 23024080 QHTKYGMCBGIATH-IYXRBSQSSA-N 388.455 3.838 0 40 GHAB CSc1nc2ccccc2n1CC(=O)NCc1ccccc1OC(F)(F)F 12520365 JXCLKMCRVZBCCC-UHFFFAOYSA-N 395.406 3.973 0 40 GHAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2ccccc2F)o1 24279148 MXZDPZGHGZMSJI-FQEVSTJZSA-N 394.446 3.889 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 22331172 NQJWMPNCLDKUDM-HNNXBMFYSA-N 394.924 3.600 0 40 GHAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc2nsnc2c1 57316196 JHEATJNSSLSEGV-UHFFFAOYSA-N 386.440 3.986 0 40 GHAB O=C(COc1ccccc1Cl)Nc1ccc(-c2nn3cnnc3s2)cc1 9427064 DJPAMXXQDAYTIS-UHFFFAOYSA-N 385.836 3.524 0 40 GHAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 3219389 UDDFYSWCRGRTAY-UHFFFAOYSA-N 379.412 3.713 0 40 GHAB COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O 10118750 IWTJNVNPNITACK-ZVBGSRNCSA-N 383.231 3.589 0 40 GHAB CCCCCOC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 1784985 PBKZULVJEYBOEM-CYBMUJFWSA-N 391.537 3.737 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1CC 27588366 WNJRWOMZHKGSER-CYBMUJFWSA-N 376.316 3.801 0 40 GHAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cccc(N2CCCC2=O)c1 10226680 VDTGFBFLDBZDGR-UHFFFAOYSA-N 393.443 3.640 0 40 GHAB CCc1noc([C@H](C)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 58646757 BUDCUGVOWGWJPH-VIFPVBQESA-N 390.793 3.936 0 40 GHAB Cc1ccc(NC(=O)CCn2cnc3sccc3c2=O)c(Br)c1 12753137 SFIDQEJIQLNWBT-UHFFFAOYSA-N 392.278 3.558 0 40 GHAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4cc(C)cc(C)c4)CC3)n2)cc1 12759850 GQUPVXYWOOCTCS-UHFFFAOYSA-N 390.487 3.620 0 40 GHAB O=C(NCc1ccnc(-n2cccn2)c1)c1cc(-c2cccc(Cl)c2)on1 48248020 OXILWYPNEMCPIC-UHFFFAOYSA-N 379.807 3.506 0 40 GHAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 12907414 SAIWJQHNENYHNP-ZDUSSCGKSA-N 376.888 3.540 0 40 GHAB O=S(=O)(c1cccc(F)c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 12923408 UMIUHAJQIAJVTK-UHFFFAOYSA-N 377.437 3.688 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)N(C)[C@@H](C)c3cc4ccccc4o3)cnc12 13020480 FRTQXLNZXURPDM-HNNXBMFYSA-N 375.428 3.671 0 40 GHAB CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)COC2)c1nc(-c2cccnc2)no1 92186102 LZNDCRXGSGGEAM-QGZVFWFLSA-N 379.420 3.681 0 40 GHAB COc1ccc(-c2cc3c(=O)n(Cc4cc(C)ccc4C)ccn3n2)cc1OC 64977534 NFGFRWYNMBURNQ-UHFFFAOYSA-N 389.455 3.845 0 40 GHAB Brc1cccc(-c2nnc(Cc3nc(-c4cccnc4)no3)o2)c1 65185547 LBQCVTFJFXENQZ-UHFFFAOYSA-N 384.193 3.535 0 40 GHAB CCOC(=O)Nc1cccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 8774766 KZGMUGNZDWDPEJ-UHFFFAOYSA-N 381.432 3.534 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cc1 6328893 LJMJQOPLDQXFCF-UHFFFAOYSA-N 376.459 3.582 0 40 GHAB O=C1CSc2ccc(C(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)cc2N1 14085069 BWSPZRIAEDCYLX-CQSZACIVSA-N 392.484 3.627 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 5538386 BSRPYCDQZHHLPK-LBPRGKRZSA-N 385.807 3.882 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cnc(Cl)c(Cl)c2)cc1 6643017 LWGXDZHBENPWML-JTQLQIEISA-N 381.215 3.775 0 40 GHAB COCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 4816652 WZFPEJNXTPFOQL-ZWKOTPCHSA-N 382.851 3.645 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 9376780 IPWHIWFNCLKTCG-SFHVURJKSA-N 392.908 3.830 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)Nc3cccc(N4CCCC4=O)c3)o2)cc1 7492007 AHUHLSBWANFWMM-UHFFFAOYSA-N 390.443 3.743 0 40 GHAB COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2c(C)noc2C)cc1 7987889 PIPJNBIHYIWPJV-UHFFFAOYSA-N 379.416 3.734 0 40 GHAB O=C(c1cc(Br)ccc1O)N1CCN(c2ccccc2Cl)CC1 16494440 SOOUEGJJGYFNPI-UHFFFAOYSA-N 395.684 3.771 0 40 GHAB COc1ccc(NC(=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)C)cn1 8077929 SVHWXAPCJAEFFI-QFIPXVFZSA-N 391.471 3.565 0 40 GHAB CCCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2ccccc2c1=O 8195317 QGACIABKCZFUKD-UHFFFAOYSA-N 395.484 3.740 0 40 GHAB CC(C)CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9421119 WWIVVDIYTSEGQN-KGLIPLIRSA-N 392.935 3.554 0 40 GHAB CN(CC(=O)Nc1ccccc1N1CCCC1)Cc1cnn(-c2ccccc2)c1 9548583 CNHFOMXCODHXPV-UHFFFAOYSA-N 389.503 3.543 0 40 GHAB C[C@H](CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(Cn2cccn2)c1 97037332 LVEKFPLUBIAEET-QGZVFWFLSA-N 388.471 3.808 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1OCC 72330913 QJQWVUJIDKQVKD-UHFFFAOYSA-N 385.460 3.825 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 28298839 DCCIDZXBLIGULU-AWEZNQCLSA-N 375.490 3.852 0 40 GHAB CCc1cc(N2CC(Cc3cc(OC)cc(OC)c3)C2)nc(-c2ccncc2)n1 79064138 PKKNCBXSHOVOQF-UHFFFAOYSA-N 390.487 3.797 0 40 GHAB COC(=O)c1cccc(CS[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 29375840 LKORXKPUHGNNBT-ZDUSSCGKSA-N 395.488 3.978 0 40 GHAB CC(C)C1=NN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@@](O)(C(F)(F)F)C1 409090033 PWZITNSNIAVAMK-SFHVURJKSA-N 386.414 3.858 0 40 GHAB CC1CCN(C(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1 409185664 OHNPJMPXKFUWFR-UHFFFAOYSA-N 391.559 3.877 0 40 GHAB C[C@H](NC(=O)NCc1ccccc1CO)c1ccc(Oc2cccnc2)cc1 554534738 QBZIUVJQDCECGT-INIZCTEOSA-N 377.444 3.927 0 40 GHAB COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3C)n2)cn1 35425451 DDONKQQNUFZWJL-IBGZPJMESA-N 394.475 3.802 0 40 GHAB biogenic,in-vitro Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)c1 306143757 YLKPJKBAHAGJIJ-XMMPIXPASA-N 384.483 3.589 0 40 GHAB Oc1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc2ccsc12 36385493 XMPPHSMYQRQYRM-HNNXBMFYSA-N 383.473 3.895 0 40 GHAB O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 72362660 LPNLGBYWRITEGH-OAHLLOKOSA-N 389.459 3.501 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 32949386 XZTFZHVWPBBMOF-QGZVFWFLSA-N 396.871 3.661 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 56945665 OCSSRWPEKGTXQE-NRFANRHFSA-N 393.462 3.712 0 40 GHAB O=C(NCc1nccc(C(F)F)n1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 567582067 CUZSMHGIMOVPQD-OAHLLOKOSA-N 386.406 3.727 0 40 GHAB O=C(Oc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1cccs1 227115767 XHGZYNLGRJNQFF-KMQGVKTFSA-N 391.448 3.525 0 40 GHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C 223853365 MMEQALRGKXDVKF-PMACEKPBSA-N 378.501 3.920 0 40 GHAB Cc1oc2cc3oc(=O)c(CCC(=O)N4CCSCC4)c(C)c3cc2c1C 40309765 UFMUIQBJLPXQCS-UHFFFAOYSA-N 385.485 3.972 0 40 GHAB biogenic CC[C@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccccc1C 225757653 HHQARLFKFSXUEG-SFHVURJKSA-N 391.562 3.829 0 40 GHAB CSc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1NC(=O)C(C)C 225877033 AWORJZNQAAIQEJ-UHFFFAOYSA-N 390.530 3.754 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)c(C)c1C 222723078 PVTPOJHXXXWQDB-UHFFFAOYSA-N 389.502 3.940 0 40 GHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cccnc3N(C)C)c12 49728214 DCSCEYYOYSNGNH-UHFFFAOYSA-N 392.488 3.719 0 40 GHAB CCCCc1nc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)c[nH]1 257278942 OEIKAGSCXXJVDR-YPAWHYETSA-N 380.536 3.589 0 40 GHAB C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)C(=N)NC3 252516346 SDIGNZADDDFEPI-UJOQUQSGSA-N 384.520 3.728 0 40 GHAB biogenic,in-vitro C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccccn2)CC1 257327696 XCHJHTDYPXUMNH-TVFCKZIOSA-N 393.535 3.651 0 40 GHAB CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CC(C)C)CC1 257342232 ZNRKETGQVORIOP-UHFFFAOYSA-N 393.531 3.692 0 40 GHAB CCc1nc2ccc(NC(=O)NC3(c4cc(C)no4)CCOCC3)cc2s1 626595200 QZTIZKTYTRYQPW-UHFFFAOYSA-N 386.477 3.983 0 40 GHAB C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1-c1nn[nH]n1 1150179065 QYZDDBVABLEZCV-MRXNPFEDSA-N 399.454 3.864 0 40 GHAB Cc1cccnc1N=c1[nH]ccnc1[C@@H]1CCCN1C(=O)/C=C/c1ccccc1 585292894 UDYRNLXURDDUKZ-CVTTXWKISA-N 385.471 3.722 0 40 GHAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565523688 XJXXDRPSSRNYRD-HOTGVXAUSA-N 399.438 3.600 0 40 GHAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)nn1 585235179 SGUKRIQLXWSURO-CYBMUJFWSA-N 380.370 3.539 0 40 GHAB Cc1csc(Nc2ccc(NC(=O)c3cc([C@H]4CCCN4C)[nH]n3)cc2)n1 1632767349 JVGFSZZMUZLZSA-QGZVFWFLSA-N 382.493 3.937 0 40 GHAB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\N=C(c2ccccc2Cl)OC1=O 5614444 NFDYDKWHOBCLGN-ZCQLHAAUSA-N 379.803 3.566 0 40 GHAB CN(CCc1ccncc1)C(=O)Cn1c(-c2ccc(F)cc2)cc2cccnc21 12144024 WNDCRAPWLDOKIX-UHFFFAOYSA-N 388.446 3.939 0 40 GHAB O=C(Cc1cccs1)N1CCC[C@H](Cn2nc(-c3cccs3)ccc2=O)C1 12145171 XSWMNULKGUJZCK-HNNXBMFYSA-N 399.541 3.515 0 40 GHAB Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3cccs3)CC2)n1 12223839 HOMBRUYITPHYLO-UHFFFAOYSA-N 380.473 3.601 0 40 GHAB CC(=O)c1ccc(OC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 14464066 FIBNCMAWLPZNLD-UHFFFAOYSA-N 384.391 3.808 0 40 GHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1 15012611 AHGPXVBNMROBBJ-GZTJUZNOSA-N 382.441 3.679 0 40 GHAB COc1ccc(N2CN=C(c3ccccc3)N=C2SCC(=O)NC(C)C)cc1 15860621 NFEOKCHCYZAWRX-UHFFFAOYSA-N 396.516 3.533 0 40 GHAB COc1ccc(C(=O)N[C@@H](N2CCCCCC2)C(Cl)(Cl)Cl)cc1 19315545 FANFPOMQIHZTCK-HNNXBMFYSA-N 379.715 3.997 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(C(=O)c4csc(C)c4)[C@H]23)cc1 19571854 LANCWENWLKLKSN-NJDAHSKKSA-N 398.528 3.684 0 40 GHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C2CC2)C1 19591014 GMADFJAHDBOGQT-JOCHJYFZSA-N 382.529 3.722 0 40 GHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 205712619 FMUNUUDCLNIDLB-VZUCSPMQSA-N 390.244 3.687 0 40 GHAB COC(=O)Cn1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc21 6325090 KDJWPTFIBICQEI-KNRZEBMXSA-N 399.516 3.903 0 40 GHAB Cn1c(SCc2nc3ccccc3o2)nnc1[C@H]1COc2ccccc2O1 6851462 BBRSXNIZJYMCKB-MRXNPFEDSA-N 380.429 3.761 0 40 GHAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 1889176644 COYJESOENNOWJM-OAHLLOKOSA-N 381.373 3.981 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1cnc2ccccn2c1=O 14169957 ZHYYMZLMRIHUMC-UHFFFAOYSA-N 377.488 3.581 0 40 GHAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1cnc2c(cnn2C(C)C)c1 31496654 NIAMKIOBFQLJJP-UHFFFAOYSA-N 380.448 3.931 0 40 GHAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccccc2Cl)o1 4032049 XGLZVVKKWCDLKR-INIZCTEOSA-N 376.865 3.956 0 40 GHAB Cc1csc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)n1 4358352 AQYZFLVDEPFCDM-UHFFFAOYSA-N 377.520 3.713 0 40 GHAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)c1 6570320 FGYZTJWRNQTBQD-GFCCVEGCSA-N 386.473 3.997 0 40 GHAB CN1CC[C@H](NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)C1=O 152415828 VDJPDMJEMAIXMO-INIZCTEOSA-N 398.846 3.626 0 40 GHAB CCc1cccc2c(C3=CCN(C(=O)CN(C)C(=O)c4ccco4)CC3)c[nH]c12 40060334 IZPYDNYVHANQRC-UHFFFAOYSA-N 391.471 3.711 0 40 GHAB COc1ccc(C(=O)CSc2ncnc3c2cnn3Cc2ccccc2)cc1 2445888 YQAHPTMDKXVIDH-UHFFFAOYSA-N 390.468 3.858 0 40 GHAB CCN(C(=O)COc1ncnc2ccc(Br)cc12)c1ccccc1 7779890 CLHGJMFXICJJKV-UHFFFAOYSA-N 386.249 3.824 0 40 GHAB CCN(CC)C(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 969870 DCQRBRVCYQWZCB-UHFFFAOYSA-N 394.924 3.788 0 40 GHAB COc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccccc1 1221440 NLQFQVLZUSXPHJ-UHFFFAOYSA-N 394.500 3.657 0 40 GHAB COc1ccc(C(=O)NCCNc2nc(C)nc3sc4c(c23)CCCC4)cc1 4848561 TWZQLRVXXHMPFD-UHFFFAOYSA-N 396.516 3.729 0 40 GHAB Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32491946 FKFSBPHYBOTGJR-LJQANCHMSA-N 380.463 3.966 0 40 GHAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(Br)cc2)NC(=S)N1 7552991 VTUVTMXWKVFEBX-AWEZNQCLSA-N 383.311 3.585 0 40 GHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccccc1OC 7968220 HVQXZWDZVNZQQS-UHFFFAOYSA-N 394.393 3.744 0 40 GHAB Cc1cc(NC(=O)c2ccc(OCC(F)(F)F)nc2)ccc1N1CCCC1=O 11764233 FNDYWTJGVVOILI-UHFFFAOYSA-N 393.365 3.710 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c(O)n1 32778453 CRTDASHQZLHLFF-ZCFIWIBFSA-N 393.321 3.619 0 40 GHAB CN(Cc1ccccc1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10332461 RMEKBLBFJNAKGQ-UHFFFAOYSA-N 380.469 3.760 0 40 GHAB COc1ccccc1-c1noc(-c2nn(-c3ccc(Cl)cc3)ccc2=O)n1 33300462 BSQVGIMOIKJQDA-UHFFFAOYSA-N 380.791 3.612 0 40 GHAB O=C1c2ccccc2N[C@@H](c2cn3ccccc3n2)N1c1ccc2c(c1)OCCO2 58440971 IZJQRHJWQZDCLI-JOCHJYFZSA-N 398.422 3.877 0 40 GHAB CC(C)(C)NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 969868 PDTMOYSDGZOMRI-UHFFFAOYSA-N 394.924 3.835 0 40 GHAB CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1N1CCN(CC)CC1 952249 CBEAMODMJZMRDW-UHFFFAOYSA-N 382.291 3.860 0 40 GHAB CCc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc1 940465 LLKNAPOHWXAKBW-FQEVSTJZSA-N 389.459 3.777 0 40 GHAB O=C(NCc1cccs1)c1ccc(NS(=O)(=O)c2cccs2)cc1 23723201 UTKTUPQTHOGNFP-UHFFFAOYSA-N 378.500 3.540 0 40 GHAB CCCn1c(-c2ccncc2)nn(CN(C)Cc2cccc(OC)c2)c1=S 24103494 YQRYZLUIGWGKKK-UHFFFAOYSA-N 383.521 3.984 0 40 GHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12328610 QOMJGZQOGVCUGA-MJGOQNOKSA-N 397.494 3.696 0 40 GHAB CC(=O)N(c1ccc(C)cc1)c1nc(CN2C(=O)c3ccccc3C2=O)cs1 54912479 ZHPRQOGPDLXNOC-UHFFFAOYSA-N 391.452 3.932 0 40 GHAB COc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1 59186573 CMAXZWYMCREDFY-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 24747450 BLHSIGBZFJLMGZ-FQEVSTJZSA-N 386.517 3.776 0 40 GHAB CCc1cccc(N2C[C@@H](C(=O)N3CCc4[nH]c5ccccc5c4C3)CC2=O)c1 24830283 JIIBOTCPKNHPJR-KRWDZBQOSA-N 387.483 3.668 0 40 GHAB Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c(OC[C@@H]2CCCO2)c1 55654080 WLRWILNILKBRTE-HNNXBMFYSA-N 379.412 3.912 0 40 GHAB NC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1Cl 57340155 YBJLKXHYYQWUCE-UHFFFAOYSA-N 393.270 3.779 0 40 GHAB CC(C)(C)N1CCCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 58174146 QRQJQLJLGUHPAB-OAQYLSRUSA-N 386.584 3.557 0 40 GHAB C[C@H]1CCN(C(=O)Cn2nnc(-c3cccc(Cl)c3)n2)c2ccccc2S1 8191248 IPEOKGMDBXGLDE-ZDUSSCGKSA-N 399.907 3.911 0 40 GHAB COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)C[C@H](C)CC4)cc1 2294108 PXOPBHQTQOPEHY-LLVKDONJSA-N 380.473 3.537 0 40 GHAB CC(=O)Nc1nc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)cs1 58428211 MYLPEZZACULWNQ-UHFFFAOYSA-N 385.367 3.593 0 40 GHAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1N 2397073 NKNPDFNUTZSLNA-UHFFFAOYSA-N 385.468 3.652 0 40 GHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@@H](c1ccc(Cl)cc1)C1CC1 8134620 LORIDFQJHZOVGZ-HXUWFJFHSA-N 381.863 3.777 0 40 GHAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C)c1 12605469 NINKGMTUTKZKJZ-HNNXBMFYSA-N 388.489 3.511 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN[C@H](C)C(=O)Nc1ccc(Cl)cn1 12770001 YXIYIIXGHDPPBG-CQSZACIVSA-N 383.883 3.654 0 40 GHAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(C)cc4C)CC3)n2)cc1 12760178 PSDBWHDEIIOPBE-UHFFFAOYSA-N 390.487 3.620 0 40 GHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NC1CCCCCCC1 12784401 UEZIWJFMKFMVKA-UHFFFAOYSA-N 387.549 3.956 0 40 GHAB CCc1ccc(CN(C)C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12779876 QLGNZJSSDPASOR-OAQYLSRUSA-N 394.515 3.816 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC[C@H]1COc2ccccc2C1 48355183 HRLQKJYRDDKDKM-KRWDZBQOSA-N 393.462 3.538 0 40 GHAB C[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1cccc(Cl)c1 12806061 ZJGHPTNILXBGLK-ZDUSSCGKSA-N 392.908 3.543 0 40 GHAB CC(C)n1nnnc1SCC(=O)N(C)C(c1ccccc1)c1ccccc1 12849061 SGQRVWDXSFMJON-UHFFFAOYSA-N 381.505 3.594 0 40 GHAB Cc1c(CCC(=O)N[C@@H](C)CCc2ccccc2)c(=O)oc2cc(O)ccc12 4088932 KDDVIRTWEQBILB-HNNXBMFYSA-N 379.456 3.877 0 40 GHAB biogenic COC(=O)[C@H](C)Oc1ccc2oc(=O)c(-c3cc(OC)ccc3OC)c(C)c2c1 4088990 CMTDJPKTGMCUMX-ZDUSSCGKSA-N 398.411 3.726 0 40 GHAB biogenic Cc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1Cc1cccs1 6086850 WIDLCGSGTPFRHR-UHFFFAOYSA-N 377.469 3.808 0 40 GHAB COc1ccccc1-c1nc(CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cs1 65516179 PYANZDLVAZQNQY-OAQYLSRUSA-N 393.468 3.786 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(C(C)=O)s2)c1C 14198666 LUNXUCRWXNGERJ-LBPRGKRZSA-N 391.445 3.501 0 40 GHAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 4570904 FPDTUXPPINHPCB-NSHDSACASA-N 379.243 3.994 0 40 GHAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)[C@H]1CC(c2cccc(F)c2)=NO1 65609614 AYAIJDYEFIVFMU-QGZVFWFLSA-N 382.420 3.806 0 40 GHAB COc1ccc2c(c1)CCc1cc(C(=O)O[C@@H](C)C(=O)N3CCCC3)sc1-2 5435689 MCIKJMAZSDICTC-ZDUSSCGKSA-N 385.485 3.690 0 40 GHAB CCc1ccc([C@@H](NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C(C)C)cc1 5407366 TYXJTASRDKTIDR-FQEVSTJZSA-N 388.533 3.626 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1OC 4735647 NLLXACBVSNVFPQ-FQEVSTJZSA-N 393.443 3.523 0 40 GHAB CCSc1nc(SCC(=O)OC)c2sc3c(c2n1)COC(C)(C)C3 6764609 OFMXJDWNBMHQLB-UHFFFAOYSA-N 384.548 3.920 0 40 GHAB COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(C)C 15108973 XNEFVJOEKNAWNI-UHFFFAOYSA-N 375.421 3.761 0 40 GHAB CC(=O)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 8748041 PLOFTBUZVVFKSQ-UHFFFAOYSA-N 378.432 3.641 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)NCc1ccc(C)cc1 7378088 OSLVLOJZOAPXSJ-UHFFFAOYSA-N 384.295 3.635 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)N[C@H](Cc1ccccc1)c1ccccc1 9602325 MDNVXISVYYYWFJ-JOCHJYFZSA-N 393.508 3.951 0 40 GHAB C[C@@H]1CCC[C@@H](NC(=O)c2cccc(=O)n2CCOc2ccccc2Cl)C1 89927283 YEIJDVDWOFZAFB-HZPDHXFCSA-N 388.895 3.889 0 40 GHAB CCCc1nc2n(n1)[C@@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 9225249 AZEOSTHAMNUHAJ-QGZVFWFLSA-N 391.431 3.545 0 40 GHAB COc1cc2cc(C(=O)NCCc3c[nH]c4ccc(F)cc34)n(C)c2cc1OC 9420141 RTRNPUSUGOOBTB-UHFFFAOYSA-N 395.434 3.788 0 40 GHAB CC(=O)c1cc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)n(C)c1 83815641 KCZVUZODKSBTHO-UHFFFAOYSA-N 382.460 3.588 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3ccccc3cc2OC)c1C 9722227 RTKYSGHKTIGQJB-UHFFFAOYSA-N 395.411 3.620 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(C)n2-c2ccc(Cl)cc2)c1 409102997 CGUPEKXNBQABBC-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB CCc1ccc(NC(=O)[C@@H]2CC(=O)C[C@H]2C(=O)Nc2ccc(CC)cc2)cc1 79067341 FVVMECMXLKQUEK-NHCUHLMSSA-N 378.472 3.984 0 40 GHAB Cc1cc(NC(=O)CN(CCN(C)Cc2ccccc2)Cc2ccccc2)no1 79019935 VWYSKXOZTZAWJN-UHFFFAOYSA-N 392.503 3.556 0 40 GHAB C[C@@H]1CC[C@H](C(N)=O)CN1Cc1csc(-c2ccc(Br)cc2)n1 79025948 CIDZSAXKXHZTLV-YPMHNXCESA-N 394.338 3.658 0 40 GHAB CCN1CCC(n2nccc2NC(=O)c2cnc(-c3ccsc3)s2)CC1 95958584 QMNUQNDGTKYDKY-UHFFFAOYSA-N 387.534 3.977 0 40 GHAB O=C([C@H]1CCn2c(cnc2C(F)(F)F)C1)N(Cc1cccc(O)c1)CC1CC1 95993204 ILEHIMYQTPWPJI-HNNXBMFYSA-N 393.409 3.609 0 40 GHAB COc1ccc(Cl)cc1C(=O)NCCCn1nc(C(F)(F)F)cc1C 27932948 UMILEUKZOMMLNM-UHFFFAOYSA-N 375.778 3.692 0 40 GHAB CCCN(C)C(=O)c1nc([C@H]2CCCN2Cc2ccccn2)n2ccccc12 306137251 QQMKPVSFFAXIHI-LJQANCHMSA-N 377.492 3.548 0 40 GHAB CCc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(-n2cnnc2)c1 32646933 QDQUZNZHIHWAJN-UHFFFAOYSA-N 390.365 3.866 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 30847352 VITDWOYKHRFPPZ-CQSZACIVSA-N 387.432 3.513 0 40 GHAB COCc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1ccc(Cl)cc1 39963909 CBWKRFGWLYKMLD-UHFFFAOYSA-N 399.882 3.526 0 40 GHAB O=C(O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 408637756 BAPAZCXBBZCDPZ-LLVKDONJSA-N 393.226 3.683 0 40 GHAB O=C(N[C@@H](C(=O)Nc1nccs1)c1ccccc1)c1cc2ccccc2o1 36569462 DMCLGTSTCJUWOY-QGZVFWFLSA-N 377.425 3.999 0 40 GHAB C[C@H]1CCc2onc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)c2C1 72396295 YZFDQOZLZNIYKS-KXBFYZLASA-N 390.487 3.852 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)cc1 35558673 BSDYPYXCSZSVCE-SFHVURJKSA-N 375.472 3.814 0 40 GHAB Cc1cc(C)c2c(=O)[nH]c([C@@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)cc2c1 72350709 RSICWTSHSWCMFC-MJGOQNOKSA-N 382.504 3.810 0 40 GHAB CC(C)CCNc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O 217584157 GQAQVWZFLVGFSH-UHFFFAOYSA-N 382.526 3.844 0 40 GHAB COc1ccc(Cl)cc1-c1nnc2sc(-c3c(Cl)cnn3C)nn12 72404516 FZHNYVRPDXDMAE-UHFFFAOYSA-N 381.248 3.569 0 40 GHAB CC(C)N1CC[C@H](CCc2ccc(NC(=O)c3ccc(O)nn3)cc2)[C@@H](C)C1 72335294 DVWOIZTWUADTDU-WMZOPIPTSA-N 382.508 3.734 0 40 GHAB COc1ccc(OC)c(CNC(=O)Nc2ccccc2-n2nc(C)cc2C)c1 44208829 DOBKKXKVJCFDMQ-UHFFFAOYSA-N 380.448 3.828 0 40 GHAB Cc1ccccc1CN(C)C(=O)c1cn(-c2cccc(Br)c2)nn1 40073608 WQGGTRFLHGNDRW-UHFFFAOYSA-N 385.265 3.610 0 40 GHAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 223887504 KGPYYYZVJQMLKA-YWZLYKJASA-N 389.517 3.687 0 40 GHAB CCN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1cc(C)ccc1C 225933362 KLJHQVUHIBINIZ-UHFFFAOYSA-N 380.897 3.606 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](CC)c3ccccc3)ccc21 225729202 KFCGUTADWAPCCM-INIZCTEOSA-N 390.530 3.903 0 40 GHAB CN(c1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1)S(C)(=O)=O 224972449 XSYXKGLDHCLJBO-UHFFFAOYSA-N 394.496 3.931 0 40 GHAB Cc1ccc(C)c(N(CCCC(=O)NCC2CCCCC2)S(C)(=O)=O)c1 224151511 KAESUQMNWVRYID-UHFFFAOYSA-N 380.554 3.546 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224641421 KFQMGCBXOXKUOT-GOSISDBHSA-N 382.570 3.874 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 222985975 DQUBTVHKNSDUFI-GOSISDBHSA-N 382.504 3.571 0 40 GHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 225484199 BIFPIQUEWHNHKU-AVRDEDQJSA-N 396.531 3.960 0 40 GHAB COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 77200052 GXRHPYCKUCGPPY-JRUMVTRASA-N 386.467 3.576 0 40 GHAB COC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(SC)cc1 224984335 CINXKWRKGRUREI-UHFFFAOYSA-N 399.921 3.739 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238942607 WCXBJFPBYIUSJH-LLVKDONJSA-N 394.328 3.852 0 40 GHAB O=C(Nc1ccc(F)cc1F)N1C[C@H](OCc2nc3ccccc3o2)[C@H](F)C1 96112007 WNHWELSQPFORRZ-DYVFJYSZSA-N 391.349 3.877 0 40 GHAB biogenic,in-vitro COC(=O)c1nc(NC(=O)Cc2c(C)noc2C)sc1-c1ccc(F)cc1 95480070 VNXDMQVABITQDH-UHFFFAOYSA-N 389.408 3.522 0 40 GHAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)c3ccc(F)cc3)C2)cn1 257275475 NPONAKGFWKIJNH-OAHLLOKOSA-N 380.423 3.592 0 40 GHAB O=C1COc2c(cccc2C(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)N1 585082222 HHNAOYUBPHCTHI-UHFFFAOYSA-N 388.826 3.862 0 40 GHAB CC(=O)N1CCC[C@H]2N(C(=O)c3cccnc3-c3scnc3C)CCC[C@@]21C 257252197 JTWWGQYDZYSYBQ-UTKZUKDTSA-N 398.532 3.519 0 40 GHAB COc1ccc([C@H](CNC(=O)[C@H]2CCCN2C)c2c[nH]c3ccccc23)cc1 588921792 ZKYBIOIWJFTICI-SIKLNZKXSA-N 377.488 3.519 0 40 GHAB Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N2CC3(CCCO3)C2)n1 626276329 NZCKEMIVXNVYRB-UHFFFAOYSA-N 394.397 3.905 0 40 GHAB COc1ccccc1Oc1ccc(CNC(=O)N2C[C@H](C)[C@](C)(CO)C2)cc1 664072627 RTTIEGXLWOQGIB-AOMKIAJQSA-N 384.476 3.647 0 40 GHAB Cc1noc(C)c1CN1CC[C@@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 585102031 OHCCBTITCWHADA-HXUWFJFHSA-N 391.874 3.965 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1cc2ccccc2oc1=O 1775976734 DVEXARAERWZAOC-SFHVURJKSA-N 391.448 3.985 0 40 GHAB CC[C@H](C(=O)N1CCC(O)(c2ccccc2C)CC1)n1cnc2ccccc21 12148712 VIOWWWPWKLEPTM-HXUWFJFHSA-N 377.488 3.806 0 40 GHAB Cc1cc(C)c(-n2cccn2)c(CN(Cc2ccc3c(c2)OCO3)C[C@@H](C)O)c1 12185793 HZLRYUSPDVDQOB-GOSISDBHSA-N 393.487 3.601 0 40 GHAB CCOc1ccc2[nH]c3c(c2c1)CN(C(=O)CCCn1nc(C)cc1C)CC3 12275973 DYUJCEJVIDUXHG-UHFFFAOYSA-N 380.492 3.745 0 40 GHAB CC(C)Oc1ccc(CNC(=O)CSc2nc(O)c3ccccc3n2)cc1 12401647 ZQKLYOOSZMFMNN-UHFFFAOYSA-N 383.473 3.531 0 40 GHAB biogenic,in-vitro COc1ccc(-n2[nH]c3[nH]c(C)c(Cc4cccc(Cl)c4)c(=O)c3c2=O)cc1 17080928 IJGMTIAOKVWJGV-UHFFFAOYSA-N 395.846 3.568 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN2C(=O)Cc2ccc(F)cc2)on1 19122359 DNGFHITWGRXVFD-GOSISDBHSA-N 380.423 3.794 0 40 GHAB C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCC(Oc2cccc(F)c2)CC1 19457694 XZIZEPNLQKSPOP-INIZCTEOSA-N 381.451 3.882 0 40 GHAB Cc1ccc(/C=[N+]2\N=C(O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 167529747 KEXUBAAEDQNOSR-PJIZFRNJSA-O 384.459 3.851 0 40 GHAB NNc1nc2c(Cl)cc(NC(=O)COc3ccccc3Cl)cc2s1 226313297 TZMBGBHZWWFRNR-UHFFFAOYSA-N 383.260 3.906 0 40 GHAB COc1ccc(-c2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c(OC)c1 6623707 BJOHEPOCIJXYGU-UHFFFAOYSA-N 383.400 3.846 0 40 GHAB biogenic CC(=O)NC1(c2ccc(F)cc2)CCN(C[C@H](O)c2cccc(Cl)c2)CC1 12188396 IZIQTDIQCZVLTK-FQEVSTJZSA-N 390.886 3.640 0 40 GHAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)c2cc(C3CC3)on2)C1 12238672 IAKILPFIYYTILI-GOSISDBHSA-N 389.459 3.848 0 40 GHAB COC(=O)c1ccc(COC(=O)/C=C/c2cccc(Br)c2)cc1 5813725 WYRYVZMOYKZZNE-JXMROGBWSA-N 375.218 3.992 0 40 GHAB CC[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Cl)cc1 10919397 ACAQQPHVLOOPLQ-SFHVURJKSA-N 384.863 3.870 0 40 GHAB O=C(CCc1nc(-c2ccncc2)no1)NCc1ccc(-c2ccc(F)cc2)o1 22993071 ZNXDMFKFBIJZMJ-UHFFFAOYSA-N 392.390 3.780 0 40 GHAB CN(Cc1ccccc1OC(F)(F)F)C(=O)CCn1c(=O)oc2ccccc21 30917564 VDWCLJGCYAAQMZ-UHFFFAOYSA-N 394.349 3.542 0 40 GHAB Cc1ccc(-c2nnc3ccc(SCC(=O)Nc4nc(C)cs4)nn23)cc1 4164841 NTXGJUCLFGZBQZ-UHFFFAOYSA-N 396.501 3.595 0 40 GHAB c1ccc2c(c1)CCN(c1ncnc3c1nnn3Cc1cccc3ccccc13)C2 4742895 LVBJPEAGKJMKAU-UHFFFAOYSA-N 392.466 3.986 0 40 GHAB COc1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1 13695359 ZMJUDUOCUQAXIW-UHFFFAOYSA-N 382.460 3.648 0 40 GHAB Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2ccccc2)c2ccco2)ccc1F 15781290 FQKLQTFGMJTUCS-LJQANCHMSA-N 387.432 3.672 0 40 GHAB O=C(NC1CCCCC1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 22605946 CDNUPCVTQQCTQB-UHFFFAOYSA-N 384.549 3.970 0 40 GHAB COc1cc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc(OC)c1OC 23126971 OKLAXLHRCNFQRV-UHFFFAOYSA-N 378.388 3.820 0 40 GHAB CCN1CCN(c2nc(Nc3ccccc3)c3cnn(-c4ccccc4)c3n2)CC1 9573546 ZIWCKTUGANHDOY-UHFFFAOYSA-N 399.502 3.701 0 40 GHAB C[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2cccc(Br)c2)C1=O 5529020 PDVILXIJQRXXNC-BTDLBPIBSA-N 389.274 3.723 0 40 GHAB O=C(CN1CCCN(Cc2ccc(Cl)cc2)CC1)Nc1cc(F)cc(F)c1 22845537 LTRJDPWUMWKGOC-UHFFFAOYSA-N 393.865 3.765 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1C 40017375 HRLNEJHDXAQCAL-UHFFFAOYSA-N 396.487 3.847 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc(NC(N)=O)c2)C1 40091123 JUHVPYDWZOICOV-HUUCEWRRSA-N 394.475 3.548 0 40 GHAB COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1OC 40134345 OTFNJUUXUCPZHX-RBZFPXEDSA-N 386.423 3.522 0 40 GHAB Cn1ccnc1COc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 40119581 KWOYHIWUEUYXEV-UHFFFAOYSA-N 386.455 3.679 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1cc(C)n(CC(F)(F)F)c1C)CC2 31239307 OFCWRVXNZVFYPN-UHFFFAOYSA-N 396.409 3.883 0 40 GHAB CN1C(=O)C[C@@H](C(=O)Nc2ccc(Br)cc2F)[C@@H]1c1ccccc1 20427385 WVPYJSSJSQHSOK-DYVFJYSZSA-N 391.240 3.746 0 40 GHAB COCCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nc2ccccc21 7983021 FIIVTZIRZPAVEC-GFCCVEGCSA-N 390.896 3.850 0 40 GHAB COc1ccc(-n2c(SCCN3CCCCC3)nc3ccccc3c2=O)cc1 905615 SWPOPDXBMUBRPD-UHFFFAOYSA-N 395.528 3.972 0 40 GHAB C[C@@H](C(=O)NCc1ccccc1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 3326493 FJVPAWYDLZDRSM-ZDUSSCGKSA-N 394.302 3.569 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)cc1 20609814 PWNBYCBTNHDBSH-UHFFFAOYSA-N 379.445 3.892 0 40 GHAB CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2ccccc21 20735747 CQOCREQZOGCNJH-HXUWFJFHSA-N 378.819 3.780 0 40 GHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc21 6073656 GQEGCCUUCMBMRE-UHFFFAOYSA-N 385.272 3.703 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2 6501032 BVTSRFNBVZYWMY-UHFFFAOYSA-N 392.952 3.987 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 6931593 UNEUQZZLEFGHKJ-OAHLLOKOSA-N 376.859 3.904 0 40 GHAB Cc1cc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)c(C)n1C1CCCCC1 7778006 LEHFMTRBCZIFGA-MDZDMXLPSA-N 393.535 3.762 0 40 GHAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)c2ccccc2O1 7825783 GOUOYYBEMZKEGH-NRFANRHFSA-N 388.423 3.633 0 40 GHAB Cc1nc2ccc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)cc2nc1C 32741062 ZPQAPTHZPMAWNN-MRXNPFEDSA-N 386.459 3.661 0 40 GHAB CC(=O)NC(=S)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C 8367692 QMFAUTXFYVHYJH-UHFFFAOYSA-N 375.457 3.715 0 40 GHAB CSc1cccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10370174 AYUMHALOQDGBGB-HNNXBMFYSA-N 392.546 3.819 0 40 GHAB C[C@H]1CN(C(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)C[C@@H](C)O1 17327391 KQNOEXVPWAVVQB-IYBDPMFKSA-N 386.517 3.501 0 40 GHAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 100664285 OLVATNZGYMJPKK-ILHTXMRTSA-N 398.462 3.805 0 40 GHAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)[C@H]1CCCN1C(=O)C1CCCCC1 53369549 UDIHWFVOBPDDOA-RTBURBONSA-N 388.483 3.727 0 40 GHAB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NC1(c2ccccc2)CCC1 41843928 DWHJVPGOKGCYRJ-UHFFFAOYSA-N 379.485 3.645 0 40 GHAB CN(Cc1cnn(C)c1)C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 22425447 SYNMKHIRLVQLCH-SFHVURJKSA-N 393.516 3.936 0 40 GHAB Cc1noc(C2CCN(CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC2)n1 53619517 RAPFPYRINQLUMX-QFIPXVFZSA-N 396.535 3.995 0 40 GHAB CCn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2ccc(C)nc21 783243 DPKSATCDLVQWRR-UHFFFAOYSA-N 375.350 3.996 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 47539610 NXRMRGMPZOVBJA-OAHLLOKOSA-N 375.513 3.565 0 40 GHAB CCc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)s1 24444992 HEZPNONGNWCFSS-SSDOTTSWSA-N 390.690 3.922 0 40 GHAB Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccc(Cl)cc2)c1C(N)=O 994814 WLVMJSZSTWRYBR-UHFFFAOYSA-N 380.853 3.626 0 40 GHAB COc1cc(CCC(=O)OCc2nc3ccccc3s2)cc(OC)c1OC 3275501 MQYYVEWFBZQNQJ-UHFFFAOYSA-N 387.457 3.998 0 40 GHAB O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)N1CCC(CO)CC1 57144784 INPCZUHEWGNYBD-QGZVFWFLSA-N 381.314 3.704 0 40 GHAB CC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 12606175 RVZWJBOJHKGSFU-LLVKDONJSA-N 381.354 3.983 0 40 GHAB O=C(Nc1ccc(Oc2cnccn2)cc1)[C@H]1CC(c2cccc(F)c2)=NO1 44553075 PAROUWFMDYYNIJ-GOSISDBHSA-N 378.363 3.540 0 40 GHAB COC(=O)CCN(Cc1ccccc1)C(=O)[C@@H](C)Oc1cccc(Cl)c1 57986422 ZCQXANVSZHGPCP-OAHLLOKOSA-N 375.852 3.699 0 40 GHAB COC(=O)c1cc(Cl)c(NC(=O)NCCSC2CCCC2)cc1OC 48113092 BPAFWVCDHZHIAG-UHFFFAOYSA-N 386.901 3.933 0 40 GHAB Cc1ccc(-c2cc(NC(=O)CN3CCN(c4ccccc4F)CC3)on2)cc1 58137656 KXCZDWFSIVQVKH-UHFFFAOYSA-N 394.450 3.550 0 40 GHAB Cc1cc(C)c2c(C)c(C(=O)OCC(=O)c3ccc4c(c3)OCO4)sc2n1 10196882 NJENPNOJCISDBQ-UHFFFAOYSA-N 383.425 3.990 0 40 GHAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 3396000 MKERSRATGHJCNN-HXUWFJFHSA-N 386.835 3.518 0 40 GHAB CCCNC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 3344540 UEVZGYDMOZYBCW-UHFFFAOYSA-N 398.507 3.945 0 40 GHAB CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C)cc3)N(C)C)cc(=O)c2c1 28289817 DATOTNDHMCTUCW-LJQANCHMSA-N 378.472 3.697 0 40 GHAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)N1CCCC[C@@H]1C 2312597 NSBQCKQJQJLXKJ-UONOGXRCSA-N 387.480 3.555 0 40 GHAB COc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)c(OC)c1 12779681 NQOVILPFKRCWGH-UHFFFAOYSA-N 398.488 3.962 0 40 GHAB CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 21002557 CWSYCZXMRNDVNR-UHFFFAOYSA-N 386.517 3.524 0 40 GHAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccccc2)c[nH]1)c1ccccc1 12967960 RSKWWTJDSFGNOO-HZPDHXFCSA-N 397.500 3.545 0 40 GHAB C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)sc2C1 12914793 DZPMGWHLQMBUBD-CHWSQXEVSA-N 389.546 3.820 0 40 GHAB COc1cc(C(=O)O[C@@H](C)c2ccccc2Cl)cc(Cl)c1OCC(N)=O 12901220 UIAZDSHMFLDTPN-JTQLQIEISA-N 398.242 3.784 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3)CC2)cc1F 12981767 CVKUCIZRZWMEFI-MRXNPFEDSA-N 383.467 3.812 0 40 GHAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 8296799 ZNIGKCXLLRJKFK-UHFFFAOYSA-N 377.469 3.819 0 40 GHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCc2sccc2[C@@H]1C 63287307 YAIPCWPWMWOFKR-SGTLLEGYSA-N 392.471 3.927 0 40 GHAB Cc1ccc(S(=O)(=O)NC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 4110375 AGTHHICYHLVQNC-UHFFFAOYSA-N 393.774 3.573 0 40 GHAB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 5142051 SVGZLLYOEWUMMB-HNNXBMFYSA-N 398.311 3.823 0 40 GHAB COc1ccccc1CN(C)C(=O)COC(=O)c1cccc(Cl)c1Cl 5215551 BLFTVASJWHDMHQ-UHFFFAOYSA-N 382.243 3.817 0 40 GHAB COc1ccc(OC)c([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c1 4555308 WPFNSCVYCIURTH-GOSISDBHSA-N 387.505 3.961 0 40 GHAB CCN1C(=O)[C@@](O)([C@@H](C)C(=O)c2ccccc2)c2cc(Br)ccc21 4555016 NUPZOGKSSPUIHM-HXPMCKFVSA-N 388.261 3.522 0 40 GHAB CCCCOC(=O)c1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1 14218159 NEFULKILJCYHGN-UHFFFAOYSA-N 380.326 3.892 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCc1csc(-c2cccs2)n1 5482761 PUXYPGHIFIEOKZ-GQCTYLIASA-N 384.482 3.972 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)cc1 6659108 PZIINWZRGVOHKV-UHFFFAOYSA-N 375.402 3.639 0 40 GHAB O=C(c1cccs1)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1 4777318 RWDIKAVBYILICM-UHFFFAOYSA-N 379.420 3.841 0 40 GHAB Cc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc(C(=O)O)c1O 20151986 YAVXKZSCYAOUFX-UHFFFAOYSA-N 399.255 3.832 0 40 GHAB Cc1ccc(NC(=O)/C=C/c2ccco2)cc1S(=O)(=O)N1CCCCCC1 6788836 GHFFIARBWGQXHO-ZHACJKMWSA-N 388.489 3.805 0 40 GHAB CN1CCN(C(=S)c2cn(CCOc3ccccc3)c3ccccc23)CC1 5879267 LPMSGNYCKHZKDM-UHFFFAOYSA-N 379.529 3.643 0 40 GHAB Cc1cc(N)nc(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)n1 7094678 RKSWGUOBQBPREX-KRWDZBQOSA-N 388.493 3.566 0 40 GHAB CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc23)ccc1Cl 15595286 QFOJWHZLXZHGHJ-UHFFFAOYSA-N 388.876 3.996 0 40 GHAB CC[C@@H](C)OCc1nn(CCC(F)(F)F)cc1I 408716839 ROWOCDXAKDHVBL-MRVPVSSYSA-N 376.160 3.755 0 40 GHAB C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 9378476 AMQJJGCAWLTISH-CQSZACIVSA-N 390.468 3.820 0 40 GHAB Cc1cc(Cl)cc(OCC(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)c1 409188779 GFZLWYJUSOPABB-XJKSGUPXSA-N 390.789 3.667 0 40 GHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCC[C@H]2CCC[C@@H]21 72296893 RCAODMVKNVGYPV-HIFRSBDPSA-N 399.541 3.978 0 40 GHAB O=C(NNc1ccccc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 95395202 LXLVIFVHHIZLKP-UHFFFAOYSA-N 398.200 3.966 0 40 GHAB CC[C@@H](NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1)c1ccc(OC)cc1 84734120 UXPIKHGWKHDFHA-RTBURBONSA-N 385.485 3.984 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 28043475 JXBSQSCSELODNB-INIZCTEOSA-N 381.881 3.883 0 40 GHAB CCOc1cc(C(=S)N2CCN(CC)CC2)ccc1OCc1ccccc1 408578133 VWXFWMQFQKVPEZ-UHFFFAOYSA-N 384.545 3.977 0 40 GHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1C 31710961 OENGSHLRWYARHI-ZWKOTPCHSA-N 396.487 3.618 0 40 GHAB CCOC(=O)C1CCN(c2c(C)c(C)nc3cc(-c4cccc(F)c4)nn23)CC1 35316198 ZCEUUQGFLOMQSJ-UHFFFAOYSA-N 396.466 3.932 0 40 GHAB COc1ccccc1N1CCN(CC(=O)c2c(C)[nH]c3cc(C)ccc23)CC1 35999894 SXTNCJSKOIFTIW-UHFFFAOYSA-N 377.488 3.798 0 40 GHAB CCc1ccc2c(c1)[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)CCO2 1584513674 SCRYPYWAWZSARX-FQEVSTJZSA-N 375.472 3.827 0 40 GHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1 223753757 SHHMGCDIYNWMTH-UXHICEINSA-N 378.501 3.914 0 40 GHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 224117255 QZWPYZLFKGLGHO-MBOZVWFJSA-N 398.528 3.739 0 40 GHAB Cc1cc(C(=O)NC2CCCCC2)ccc1N(C)S(=O)(=O)c1ccccc1 224187505 GDIBSYQHMNNQDE-UHFFFAOYSA-N 386.517 3.883 0 40 GHAB C[C@H]1CCCC[C@@H]1n1ccc2nc3ncnn3c(-c3ccc(F)cc3)c2c1=O 40398301 KLIWHYQEDZDSGH-GUYCJALGSA-N 377.423 3.997 0 40 GHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)C2)c1 224123378 QFVNCUNSDCOOHT-MRXNPFEDSA-N 386.517 3.692 0 40 GHAB Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)c1 225488769 YPVNPSYDQZSCFQ-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCN(C)c2ccccc2)cc1C(C)C 222909884 WIUUKYAHTBYOIC-UHFFFAOYSA-N 376.522 3.542 0 40 GHAB CCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1Cl 223754232 FOIUQMFCTLIQGK-UHFFFAOYSA-N 393.823 3.795 0 40 GHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1F 222672274 IEDBQLVZDBKLSL-INIZCTEOSA-N 386.467 3.537 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)c1 224845764 VPEBDSPYJFFXLX-VQTJNVASSA-N 394.500 3.614 0 40 GHAB O=C(NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1)NC1CCCCC1 96296321 UUHGNJQJUJOUQC-KRWDZBQOSA-N 388.899 3.734 0 40 GHAB biogenic,in-vitro CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2ccccc2F)CCO1 96117616 IEVNHGLIIHHBHO-ZBEGNZNMSA-N 391.468 3.633 0 40 GHAB CCOc1ccccc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)[nH]n1 257262095 LKACYHIPOFIKRI-XFXDKIQJSA-N 394.519 3.563 0 40 GHAB CCCN(CCN1CCN(CC)CC1)C(=O)c1ccc(-c2ccccc2)s1 585085076 CEOYFPFDYLYXOZ-UHFFFAOYSA-N 385.577 3.905 0 40 GHAB CN(CCCc1ccccc1)c1cc(-c2cc(C(C)(C)C)nn2C)nc(N)n1 257311892 ULLHJZDUCZNBMM-UHFFFAOYSA-N 378.524 3.826 0 40 GHAB Cc1noc(C2(C)CCN(Cc3ccc(-c4ccccc4C(=O)O)o3)CC2)n1 257265048 LXCCIWFAOQAHKV-UHFFFAOYSA-N 381.432 3.890 0 40 GHAB O=C(c1cc(-c2cccc(F)c2)no1)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1 257272754 NDSUTCRUEGBDJR-BPAFIMBUSA-N 393.418 3.805 0 40 GHAB CCC(CC)C(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 257295549 QYUVNNPBMJSQSA-MQMHXKEQSA-N 397.445 3.969 0 40 GHAB Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)o1 253595495 FFZJWVNDKSSNQB-JKZBKNAJSA-N 393.487 3.582 0 40 GHAB Cc1cnn(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c1 257246862 IWDWLKKVXZBLGS-GOSISDBHSA-N 384.867 3.787 0 40 GHAB O=C(NCCc1nc(-c2ccccn2)cs1)c1cc(C(F)(F)F)ccn1 1136656940 XWQXEPJENNGZQP-UHFFFAOYSA-N 378.379 3.591 0 40 GHAB COc1ccc2ccccc2c1-c1cc(CN2C(=O)N[C@](C)(CCF)C2=O)on1 656811379 CUPWZQFOLYTTFB-OAQYLSRUSA-N 397.406 3.674 0 40 GHAB COc1ccccc1-c1nc2s/c(=C\c3cccc4ccccc34)c(=O)n2n1 2337166 UBSJUHRSXCPRKA-UYRXBGFRSA-N 385.448 3.528 0 40 GHAB COc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 5184639 DJSWSYZGYRXTON-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB CCCc1cc(=O)oc2cc(OCc3cc(=O)n4cc(C)ccc4n3)ccc12 11203774 DVGNGWVYLYCEHZ-UHFFFAOYSA-N 376.412 3.641 0 40 GHAB CCC(=O)N1CC[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(CC)CC)C1 19498446 NGCOTMYDGPNPDG-XMMPIXPASA-N 393.531 3.788 0 40 GHAB CCC(=O)N1CCN(CC)C(=O)[C@@H](Cc2cccc(-c3ccccc3C)c2)C1 19498924 WEHYFSSILFDYLN-NRFANRHFSA-N 378.516 3.921 0 40 GHAB COc1cccc(CN2CCC(c3cc(C(=O)N4CCCCC4)on3)CC2)c1 19564907 MQAWNWMDMNWXDO-UHFFFAOYSA-N 383.492 3.689 0 40 GHAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccccc2)C1 19703539 DFUNVVZMWCSCAW-HSZRJFAPSA-N 375.472 3.522 0 40 GHAB O=C(Cc1ccccc1)N1CC[C@@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19704904 AVZTVNXJNUVHMX-QGZVFWFLSA-N 379.435 3.686 0 40 GHAB CN1CCN(Cc2ccccn2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19589437 JBUCYIRPAWUJDB-HSZRJFAPSA-N 385.511 3.882 0 40 GHAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(N2CCCCC2)cc1 4246963 CDIQSWQQKQNKNK-UHFFFAOYSA-N 378.428 3.801 0 40 GHAB CCOC(=O)[C@]1(F)CN(C(=O)c2ccc(-c3ccco3)s2)CC12CCC2 1147035709 QUOKQOFJWOFGNL-LJQANCHMSA-N 377.437 3.906 0 40 GHAB CCOc1cc(C(=O)Nc2ccc3c(c2)COC3=O)cc(OCC)c1OCC 4512273 HBKFVLSSARNFBQ-UHFFFAOYSA-N 385.416 3.805 0 40 GHAB O[C@@H](COc1c(F)cc(Br)cc1F)CSc1ccccn1 11692547 XBFCMBVONQMUMY-JTQLQIEISA-N 376.222 3.654 0 40 GHAB CC(C)c1cnc2c(c1SCc1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C 15883532 ALZKYOQWLTUDFB-UHFFFAOYSA-N 389.908 3.701 0 40 GHAB Cc1noc(CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)n1 2086896767 CUTOKKHNFXYGBE-UHFFFAOYSA-N 386.459 3.763 0 40 GHAB Cc1cc(C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)c(C)o1 38669184 IBXHXXIGENDCSD-UHFFFAOYSA-N 384.436 3.779 0 40 GHAB O=C(COc1ccc2ccccc2c1)NCC1CCN(c2ccccn2)CC1 43976079 IIVZYOITBREYJJ-UHFFFAOYSA-N 375.472 3.646 0 40 GHAB O=C(NCCSCc1cccs1)Nc1ccccc1N1CCCC1=O 40104201 KIQRAMGLQUJMEF-UHFFFAOYSA-N 375.519 3.930 0 40 GHAB O=C(Nc1nc(-c2ccco2)cs1)[C@@H]1CCCN(C(=O)c2cccs2)C1 40111408 KTYTWARAIUJHID-GFCCVEGCSA-N 387.486 3.956 0 40 GHAB O=S(=O)(c1cnc(Cl)c(Br)c1)N1CCCc2ccccc21 703804 TVFKPOFPBOXFNH-UHFFFAOYSA-N 387.686 3.639 0 40 GHAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(OC)cc3OC)c(=O)oc2c1 778543 OCJWYRTWTLJMOV-UHFFFAOYSA-N 396.443 3.909 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)NCc1ccco1 779399 CQFFMIRCJJGUQE-UHFFFAOYSA-N 397.500 3.903 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)CC2=O)cc1 815535 PBJCVNMFCDJHEK-CYBMUJFWSA-N 397.500 3.598 0 40 GHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C)n2C)cc1 903584 SVIVRBBQHIXUGM-UHFFFAOYSA-N 396.516 3.996 0 40 GHAB COc1ccc(NC(=O)CCC(=O)Nc2nnc(C(C)C)s2)cc1Cl 2406616 WQSUMOGPLYSKJW-UHFFFAOYSA-N 382.873 3.681 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)OC(C)C)n2Cc2ccco2)c1 4295937 IMRUGNUOMGZGLZ-UHFFFAOYSA-N 387.461 3.639 0 40 GHAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1ccccc1 4554220 VSCXBTJNAOOZMI-MRXNPFEDSA-N 393.534 3.503 0 40 GHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1C[n+]1cccc(C(N)=O)c1 4671331 AREVPJAUQFATLC-RBDMOPTHSA-O 395.523 3.739 0 40 GHAB Cc1cc2nc3s/c(=C/c4ccc(Br)cc4)c(=O)n3c2cc1C 4784886 DZYZHTODLBVXKI-CXUHLZMHSA-N 385.286 3.836 0 40 GHAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 4943289 OLINJPYEAKUUSE-SNVBAGLBSA-N 378.881 3.785 0 40 GHAB COc1ccc(-c2noc(CN(C(=O)c3ccoc3C)C(C)C)n2)cc1OC 4943558 BYZLUXHFCXUJCL-UHFFFAOYSA-N 385.420 3.706 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc2c(c1)OCCO2 4947828 WBKVOWUVLGHLCM-QGPMSJSTSA-N 376.449 3.619 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cccc(Cl)c1Cl 5126710 WSQPEUAGKWHQCM-UHFFFAOYSA-N 380.256 3.961 0 40 GHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 5241286 WYOHNNOVPDXPGR-UHFFFAOYSA-N 380.878 3.996 0 40 GHAB O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)c1cccs1 5334893 PDHNMUDXAKPMHA-JOCHJYFZSA-N 390.464 3.621 0 40 GHAB CCSc1nnc(S[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)s1 5450507 UWNOAGFYWQRWCT-SECBINFHSA-N 385.536 3.745 0 40 GHAB CC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 5459398 DEEQGTNLPJHYDJ-HXUWFJFHSA-N 380.444 3.556 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1 5637869 BEGJTOFSZMMZCX-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB Cc1cc(OCC(=O)OCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1Cl 5994379 GYOXBQBCIJQOTO-QVKFZJNVSA-N 393.911 3.998 0 40 GHAB Cc1ccc(-c2ccc(/C=C(\Sc3nnc(C)[nH]3)C(=O)O)o2)c([N+](=O)[O-])c1 6473372 OEKIRFOBHJPPBM-NVNXTCNLSA-N 386.389 3.808 0 40 GHAB CC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(OC(C)C)c(F)c2)C1=O 6662692 DRRBTNXJWOGFOH-GOSISDBHSA-N 399.418 3.636 0 40 GHAB O=C(COc1cccc(Br)c1)Nc1cccc(N2CCCC2=O)c1 6987594 FFDDKJMKMUJDKV-UHFFFAOYSA-N 389.249 3.593 0 40 GHAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 7007186 ARHLFYZXUFRZQW-CQSZACIVSA-N 381.501 3.834 0 40 GHAB COC(=O)c1sc2nc(CN(C)[C@@H]3CCCc4ccccc43)[nH]c(=O)c2c1C 7327930 VEYLLISGSPRLRO-OAHLLOKOSA-N 397.500 3.589 0 40 GHAB C=CCOc1ccc(/C=C(\Sc2nnc(CCC)[nH]2)C(=O)O)cc1OC 7342229 XPKMRPBDQJNURS-PTNGSMBKSA-N 375.450 3.548 0 40 GHAB S=c1n(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2n1CCCCC2 7814501 XINFHEFYIVLUBB-MRXNPFEDSA-N 386.521 3.706 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 7928299 DMAWUHIUDRITGY-GOSISDBHSA-N 394.471 3.862 0 40 GHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N1CC=C(c2ccccc2)CC1 8039251 HUXLOKFULSENIY-UHFFFAOYSA-N 387.483 3.719 0 40 GHAB O=C(NCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cccc(F)c1 8086274 OFFQIVKIKASOJV-UHFFFAOYSA-N 397.475 3.571 0 40 GHAB CCn1c(CCc2ccccc2)nnc1SCC(=O)NCc1ccc(C)cc1 8090138 MITKKQMXIPTZDX-UHFFFAOYSA-N 394.544 3.800 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 8188157 JEHCCWYNWXBJMQ-IFMALSPDSA-N 397.515 3.735 0 40 GHAB COc1ccccc1C(=O)OCC(=O)Nc1cc(C)c(Br)cc1C 8433639 MVOFLZQLJQLBTR-UHFFFAOYSA-N 392.249 3.870 0 40 GHAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(OC)c(OC)c3)n2)cc1 8483933 LDAXZWXCGRLADC-UHFFFAOYSA-N 398.488 3.782 0 40 GHAB Cc1c(N2C(=O)[C@@H](C)S[C@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C 8716660 LZHQPYAIXDKIFL-YJYMSZOUSA-N 385.514 3.713 0 40 GHAB CCOC(=O)c1c(C)oc2ncn(Cc3csc(-c4ccccc4)n3)c(=O)c12 8980757 LQHOLNIUGKEEAH-UHFFFAOYSA-N 395.440 3.646 0 40 GHAB Cc1cccc(-c2nc3nc(O)cc(NC(=O)c4ccccc4Cl)n3n2)c1 9014201 ACDQTRIRTDRNBI-UHFFFAOYSA-N 379.807 3.711 0 40 GHAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 9169053 QLYTYPSBNKHOEX-UHFFFAOYSA-N 394.880 3.806 0 40 GHAB Cc1ccccc1N1C[C@H](c2nnc(NC(=O)C3CCCCC3)s2)CC1=O 9198468 VNUTWNQRYSEOBQ-OAHLLOKOSA-N 384.505 3.886 0 40 GHAB Cn1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c2ccccc21 9604259 MRNSTDAUACRUGZ-UHFFFAOYSA-N 392.484 3.877 0 40 GHAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(C)nn3C)c2n1 9655014 YBKZFNMYHFBPDZ-UHFFFAOYSA-N 379.247 3.909 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)o1 9905887 UHUXUQMBTISQBJ-GIYGXLGSSA-N 379.460 3.754 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2sccc2C1 10922077 WYYZOTRSJGWMBM-KRWDZBQOSA-N 376.909 3.741 0 40 GHAB Cc1cccc2c1N(C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CCC2 10971379 WJZBCRWWROEOCI-UHFFFAOYSA-N 398.528 3.763 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)N1CCCCC[C@H]1c1c(Cl)cnn1C 12159854 RYBIBRZXPFAUAG-HNNXBMFYSA-N 397.928 3.697 0 40 GHAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@@H](NC(=O)Cc2ccc(F)cc2)C1 12221040 RIVSSBSTCDSEIO-SFHVURJKSA-N 382.483 3.588 0 40 GHAB C[C@H]1Sc2ccc(C(=O)Nc3nc(-c4cccnc4)cs3)cc2NC1=O 12562858 KYMSOCSJNKCCRL-SNVBAGLBSA-N 382.470 3.890 0 40 GHAB COc1cc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc(OC)c1C 13021473 MXNGAUIOIWREIQ-UHFFFAOYSA-N 393.487 3.804 0 40 GHAB NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C(=O)CC2CCCC2)C1 13266620 NCGZDIULTWJWSX-OAHLLOKOSA-N 383.467 3.759 0 40 GHAB COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2)c2cc(C)ccn2)cc1 13595591 PQDWUONVRBTHQO-UHFFFAOYSA-N 376.412 3.894 0 40 GHAB CCOc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)n1CC 14085513 ITTFOAQKQCFSNC-UHFFFAOYSA-N 388.537 3.905 0 40 GHAB CN(CC(=O)Nc1ccccc1Oc1ccccc1)S(=O)(=O)c1ccccc1 16188467 CVBKFCVRZWKQDX-UHFFFAOYSA-N 396.468 3.738 0 40 GHAB COc1ccc(CN(C(=O)COC(=O)c2cc(C)n(C3CC3)c2C)C2CC2)cc1 16695322 NAXIIWDIMIATJR-UHFFFAOYSA-N 396.487 3.796 0 40 GHAB COc1cc2nc3sc(Nc4ccc(C)c(C)c4)nn3c(=O)c2cc1OC 17053012 JQPZOLXNIODKOY-UHFFFAOYSA-N 382.445 3.682 0 40 GHAB C[C@@H]1CCc2c(C(=O)NCc3ccc(CN4CCOCC4)cc3)csc2C1 18217427 DAKAHFDNJNXGTD-MRXNPFEDSA-N 384.545 3.635 0 40 GHAB Cc1ccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(C3CC3)n2)c2ccc(F)cc2)s1 19217076 OGIWPYMEUAGPFD-KRWDZBQOSA-N 397.475 3.870 0 40 GHAB Cc1c(CN(Cc2ccccn2)C[C@H]2CCCO2)c(-c2ccccc2)nn1C 19662903 SPXAFAZNENUNHA-OAQYLSRUSA-N 376.504 3.972 0 40 GHAB CCCn1c(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc21 21597835 VYZNGLFUNABBNG-UHFFFAOYSA-N 394.519 3.717 0 40 GHAB CCN1CCN([C@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1 22037551 ASLVIHBVQNKCIP-OAHLLOKOSA-N 381.476 3.559 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2c(C(C)C)n(C)n(-c3ccccc3)c2=O)cc1C 23054873 ILCISDYTWNCDJG-UHFFFAOYSA-N 399.516 3.717 0 40 GHAB COc1cc(C(=O)Nc2ccc(OC(=O)c3ccoc3)cc2)cc(OC)c1OC 24470012 MDDCLTHVXWBWER-UHFFFAOYSA-N 397.383 3.777 0 40 GHAB C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 24968313 IBMMYDCCJPQHCP-JTQLQIEISA-N 381.448 3.501 0 40 GHAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccccc1)C[C@@H]1CCCO1 28251288 ZMDIDOQWKUILBC-KRWDZBQOSA-N 381.403 3.754 0 40 GHAB COc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 28477819 AEVXEFCTTFQFGG-GFCCVEGCSA-N 395.415 3.601 0 40 GHAB CCOc1ccccc1-c1noc(CSCC(=O)NC2CCCCC2)n1 31419485 WVIIBXVQLOOTPT-UHFFFAOYSA-N 375.494 3.817 0 40 GHAB COc1ccc(OCCn2c([C@@H]3CCCN3C(C)=O)nc3ccccc32)cc1 31903379 KDXBSEGGXRBETK-NRFANRHFSA-N 379.460 3.807 0 40 GHAB C[C@@H](C(=O)NCc1ccccc1C(F)(F)F)n1cc(Br)cn1 32610896 IYYOQTAHZSTBCZ-VIFPVBQESA-N 376.176 3.542 0 40 GHAB Cn1c(Cc2cccs2)nnc1SCC(=O)NC1CCCCCCC1 32670177 CSSLDOTZIBQRCB-UHFFFAOYSA-N 378.567 3.789 0 40 GHAB C[C@@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1nccs1 36569422 DXMOYBGYDVQMOT-GFCCVEGCSA-N 392.440 3.708 0 40 GHAB Cc1ccc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)o1 36734282 LTQUXMGWIFTPDE-AVRDEDQJSA-N 399.510 3.898 0 40 GHAB O=C(CCNc1ccccc1)N1CCN(C(=O)c2cccc3ccccc23)CC1 40072277 ZVNCQDHRDWLUCX-UHFFFAOYSA-N 387.483 3.626 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)ccc2s1 40082353 ZGWPAEVIXPSUDQ-MRXNPFEDSA-N 395.436 3.798 0 40 GHAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(c3ccccn3)C2)cc1OC 40151840 IOGNIZKOKBEVBK-IAGOWNOFSA-N 383.492 3.501 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F 42645889 AYXJZPLTMLLDEL-UHFFFAOYSA-N 399.647 3.539 0 40 GHAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2c(C)nn(CCO)c2C)cc1 48375264 VUNODHWPFWJOQW-QFIPXVFZSA-N 390.487 3.567 0 40 GHAB Cc1cccc(NC(=O)Cn2cnc(-c3noc(-c4cccc(F)c4)n3)c2)c1 49420724 PKXWTJFPGCTUTP-UHFFFAOYSA-N 377.379 3.686 0 40 GHAB CCCOc1ccc(Oc2ncccc2CNc2ncnc3[nH]cnc23)cc1 52426848 OOJXZBSPOKSTCK-UHFFFAOYSA-N 376.420 3.941 0 40 GHAB O=C(NCc1ccnc(OC2CCCC2)c1)c1cccc(Cn2ccnc2)c1 52821515 XKWPLUAFLSSTFD-UHFFFAOYSA-N 376.460 3.578 0 40 GHAB COc1ccccc1NC(=O)C1CCN(Cc2cn3c(C)cccc3n2)CC1 58008671 IKSOPWUXJDMIHN-UHFFFAOYSA-N 378.476 3.502 0 40 GHAB CC[C@H](C)c1ccc(S(=O)(=O)N(C)C2CCN(c3ccccn3)CC2)cc1 58316893 RZQOZWPWKPGHNQ-KRWDZBQOSA-N 387.549 3.885 0 40 GHAB C[C@H](NC(=O)N1CCC(n2cccc2)CC1)c1ccc(N2CCCC2=O)cc1 58573644 XNACXSYJDPCYDS-KRWDZBQOSA-N 380.492 3.723 0 40 GHAB CN(CC(=O)NCc1ccc(CN2CCCCCC2)cc1)C(=O)OC(C)(C)C 60378376 VBPMAYFNUZESPE-UHFFFAOYSA-N 389.540 3.546 0 40 GHAB CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 71795934 DUWGAORMDXNYCQ-LLVKDONJSA-N 397.456 3.987 0 40 GHAB COc1cccc(CC(=O)N2CCC[C@@H]2c2ccnc3cc(C(C)(C)C)nn23)c1 72391719 FWCXIKZWSZXODL-GOSISDBHSA-N 392.503 3.942 0 40 GHAB Cc1cc2cc(CNc3ccc(N4CCC(O)CC4)cc3)c(=O)[nH]c2cc1C 72396148 JCRDLNJJFYHMKL-UHFFFAOYSA-N 377.488 3.718 0 40 GHAB O=C(CCn1ccc2c(Cl)cccc21)Nc1ccc(Cn2cncn2)cc1 72402007 IFRFIJDJBSSLMR-UHFFFAOYSA-N 379.851 3.963 0 40 GHAB Cc1nnsc1-c1nnc2sc(-c3cc(C(F)(F)F)ccc3F)nn12 72402807 NYRBSFONAFFRQR-UHFFFAOYSA-N 386.359 3.838 0 40 GHAB COC(=O)c1ccc(C(=O)N(CCc2cccs2)Cc2cccnc2)cc1 77183795 OOGRJDGPJNKKRA-UHFFFAOYSA-N 380.469 3.815 0 40 GHAB CS(=O)(=O)c1cc(C(=O)N(CC(F)(F)F)C2CCCC2)ccc1Cl 79015429 STBUATYXXCPYAC-UHFFFAOYSA-N 383.819 3.691 0 40 GHAB C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)NCC1(c2ccccc2)CCOCC1 79051360 SEESZCNKHUYAAO-NZQKXSOJSA-N 392.543 3.729 0 40 GHAB O=C(CN1CCCc2sccc2C1=O)Nc1ccc2nc(C3CC3)oc2c1 84459648 UXHRYNZCIGZKQW-UHFFFAOYSA-N 381.457 3.794 0 40 GHAB COc1ccc(N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)nn1 95476079 LBAFHFICFUTFOI-UHFFFAOYSA-N 381.263 3.647 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2c(F)cccc2Cl)N(C)C)c1C 95946653 IDEFFOZUCJLTFE-OAHLLOKOSA-N 379.863 3.659 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1-c1ccccc1C 95946853 CJQLXEJXOUXNQL-UHFFFAOYSA-N 387.443 3.936 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96103480 UMOUQWBKUOENQY-INIZCTEOSA-N 388.876 3.510 0 40 GHAB Cc1ncc(CN(C)C)c2cc(-c3cc(=O)oc4cc5c(cc34)OCO5)oc12 96116303 GSJBKHSXYSIGLY-UHFFFAOYSA-N 378.384 3.700 0 40 GHAB biogenic O=C(Cc1ccc(F)cc1)N1CC[C@]2(CCCN(CCOc3ccccc3)C2)C1 96216398 DHXZHRLSRDTDQR-DEOSSOPVSA-N 396.506 3.762 0 40 GHAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)C1 102456145 KGAQFNQXCUWQCW-IAGOWNOFSA-N 386.517 3.598 0 40 GHAB C[C@H](NC(=O)[C@@]1(C)CC1(Br)Br)[C@H]1C[C@H]2CC[C@H]1C2 102619877 NAIUYHATLLRLEU-HKLXJQGRSA-N 379.136 3.823 0 40 GHAB Cc1cccc(NC(=O)[C@H]2C(=O)N[C@]34CCCC[C@H]3[C@@H]2c2ccccc2O4)c1 105367670 SPSIPKWKABOJQM-UDSSINMLSA-N 376.456 3.742 0 40 GHAB C[C@H]1OCc2cc(=O)n(CC(=O)N3c4ccccc4Sc4ccccc43)nc21 105776352 CIMHYYFQRJPWMM-CYBMUJFWSA-N 391.452 3.664 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 219061516 VHUNWWRUTBQNMO-DYVFJYSZSA-N 395.908 3.778 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc(C)ccc1C)S(C)(=O)=O 220544387 UZGYTSRBDINGSI-KRWDZBQOSA-N 396.459 3.765 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C 222586613 QSZGKUWCRLBEFJ-MRXNPFEDSA-N 388.508 3.531 0 40 GHAB CC[C@H](C(=O)NCc1cccc2ccccc12)N(c1ccccc1)S(C)(=O)=O 222865911 QBVJENORNJPXPB-OAQYLSRUSA-N 396.512 3.701 0 40 GHAB Cc1ccc(C(=O)NCC(C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224313838 HETLCGUUJRYBPH-UHFFFAOYSA-N 394.924 3.859 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C 224741141 NWOJPTJHLWOWJL-LJQANCHMSA-N 382.504 3.626 0 40 GHAB CCOC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc2ccccc2c1 225057701 MGHVQRGLPWRMTL-UHFFFAOYSA-N 387.432 3.737 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225415050 JUMSZCRSVCCZKA-MRXNPFEDSA-N 392.496 3.558 0 40 GHAB Cc1ccc2oc(=O)c(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2c1 226037774 XMQUEENQSGFTFA-VMPITWQZSA-N 388.467 3.573 0 40 GHAB COc1ccccc1NC(=O)N1CC[C@@H](Oc2ccc(Br)cn2)C1 238825935 DTBPSIWJRJFHKD-CYBMUJFWSA-N 392.253 3.538 0 40 GHAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)Cn3cc(C)cn3)o2)c1 257217612 CZTGIHMEKHHOSL-HXUWFJFHSA-N 394.475 3.533 0 40 GHAB Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)c(C)o1 306134891 OAXLECPFYJPQAA-JOCHJYFZSA-N 395.434 3.714 0 40 GHAB Cc1cccc(CN2C[C@@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@H]3C2)c1 306145067 ZWPHLOMBQITFSB-GGAORHGYSA-N 390.508 3.812 0 40 GHAB Cc1cccc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4cccnc4)ccc2S3(=O)=O)c1 306145069 ZWPHLOMBQITFSB-JTHBVZDNSA-N 390.508 3.812 0 40 GHAB C[C@@H](C(=O)Nc1cccc2ccccc12)N(c1ccc(F)cc1)S(C)(=O)=O 408559914 XDMVRMPJLGTDAD-AWEZNQCLSA-N 386.448 3.772 0 40 GHAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 408620871 KKXBZLAICUZBGE-UHFFFAOYSA-N 382.464 3.883 0 40 GHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(F)cc2)c(F)c1F 408624860 CSLMHPPEYOCOHB-UHFFFAOYSA-N 376.306 3.518 0 40 GHAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)NC2CC2)CC1 408709731 WJUKPAISMTVYNY-UHFFFAOYSA-N 399.535 3.629 0 40 GHAB COC(=O)c1ccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)cc1 408801478 AYSXSDZJRPZLAV-UHFFFAOYSA-N 383.449 3.553 0 40 GHAB Cc1ccccc1[C@H](C(=O)O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 568281706 YQYFDIVTUNXDEJ-LJQANCHMSA-N 376.460 3.785 0 40 GHAB CC(C)(C)c1ccc(C[C@]2(C)CCCN2C(=O)C[C@H]2CCS(=O)(=O)C2)cc1 618107466 WHOQUQNQAZJOMO-GCJKJVERSA-N 391.577 3.733 0 40 GHAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)[C@@H]1c1ccccc1 654780878 VABGHRJSLVYTHS-CZUORRHYSA-N 399.390 3.542 0 40 GHAB O=C(NCc1cccc2ccsc12)N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1 665216935 SAPJPMFVOISDNZ-IEBWSBKVSA-N 396.516 3.837 0 40 GHAB Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(Cc3nc[nH]n3)cc2)cc1 1566079294 OONSDLQWTMPEKH-IFMALSPDSA-N 390.487 3.602 0 40 GHAB O=C(NCc1ccccc1)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889191579 YYGMMMPIPPGLHK-RDJZCZTQSA-N 390.409 3.521 0 40 GHAB COc1ccccc1-n1c(S[C@H]2C[C@H](C)OC2=O)nnc1-c1cccs1 8191337 IGORXLBEFZEHLG-NHYWBVRUSA-N 387.486 3.801 0 40 GHAB CC(C)(C)c1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 8192875 IPPUNXQFUZLZSZ-UHFFFAOYSA-N 381.501 3.883 0 40 GHAB CCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c2ccccc12 31903882 JSNQMRRSVGVLGY-HZPDHXFCSA-N 377.506 3.817 0 40 GHAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc(C(F)(F)F)cc1 32095420 UIWHGJUNHLXYRZ-HNNXBMFYSA-N 391.349 3.824 0 40 GHAB CCN(CC)C(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3460343 FMDLNAWJXDTGEB-UHFFFAOYSA-N 377.444 3.565 0 40 GHAB O=C(c1cc2c(s1)CCCCCC2)N1CCCN(C[C@H]2CCCO2)CC1 46048776 NRBYHSYDELQKRT-GOSISDBHSA-N 376.566 3.734 0 40 GHAB Cc1nc(COc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)no1 11811485 GXRLZSNCWFPYCT-UHFFFAOYSA-N 393.428 3.728 0 40 GHAB COc1ccccc1OC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccco1 32624134 WIWHMRPZUVQPRP-IBGZPJMESA-N 385.435 3.869 0 40 GHAB CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Br)[nH]1 32936296 PCWMRZIYDSQIKD-ZJUUUORDSA-N 391.693 3.767 0 40 GHAB COc1cc(COC(=O)c2cccc(C)c2NC(C)=O)ccc1OC(F)F 11944444 XNFSQQVRPMEQEJ-UHFFFAOYSA-N 379.359 3.920 0 40 GHAB Cc1nn(-c2ccc(C(=O)OCC(=O)N(C(C)C)C(C)C)cc2)c(C)c1Cl 9248651 YFQZBBAVMIEYIE-UHFFFAOYSA-N 391.899 3.945 0 40 GHAB CC(C)(C)c1noc(CCC(=O)Nc2cccc(NC(=O)c3ccncc3)c2)n1 33172469 QBDCMLWHHLFPRB-UHFFFAOYSA-N 393.447 3.586 0 40 GHAB Cc1nn(Cc2ccccc2)c2sc(C(=O)O[C@@H](C)C(=O)NC(C)C)cc12 8542349 HGMWOUVGPXVZSY-AWEZNQCLSA-N 385.489 3.524 0 40 GHAB O=C(OCc1ccccc1F)c1ccc(-c2nnn(Cc3ccccc3)n2)cc1 665959 BEOXNSZJLUDKFA-UHFFFAOYSA-N 388.402 3.885 0 40 GHAB O=S(=O)(N1CCCCCC1)N1CCCC[C@@H]1c1nc2ccccc2s1 22412902 IDXPEVCMWAOPSN-MRXNPFEDSA-N 379.551 3.944 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(O)cc3)n2C)cc1 899349 RZCVRFVDAZECSA-CYBMUJFWSA-N 396.472 3.510 0 40 GHAB CC1(C)[C@@H]2CC=C(CN3CCC[C@H]([C@@H]4C[C@H](C(F)F)n5ncnc5N4)C3)[C@@H]1C2 100151626 NDJIUGRAAGKUEC-FLXSYLCISA-N 391.510 3.973 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(F)cc1 1249120 PELKUJBUNHQPMC-GOSISDBHSA-N 385.464 3.656 0 40 GHAB O=C(Nc1cc2c(cc1Br)OCCO2)N1CCc2sccc2C1 43455917 DPKOWIIMOYKXSE-UHFFFAOYSA-N 395.278 3.872 0 40 GHAB CC[C@@H](C)N1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2C1=O 1962526 SIRMPTAPBADANO-KGLIPLIRSA-N 379.412 3.509 0 40 GHAB O=C(/N=c1\[nH]c2ccccc2n1CCN1CCCCC1)[C@@H]1C[C@H]1c1ccccc1 28305512 DQNLLBORJSPYNU-VQTJNVASSA-N 388.515 3.686 0 40 GHAB CCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 20062842 MBGCEQCJEKSQOE-UHFFFAOYSA-N 392.546 3.764 0 40 GHAB O=C(CSc1nc(O)c(-c2ccccc2)c(=O)[nH]1)Nc1cccc(Cl)c1 10059021 SFIREYFTYUCUHS-UHFFFAOYSA-N 387.848 3.527 0 40 GHAB C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)CSCCc1ccccc1 89904309 SMQHFEVXAZMESA-INIZCTEOSA-N 381.501 3.760 0 40 GHAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)COc1ccccc1 20153594 OQPYMDPXGMXRRX-UHFFFAOYSA-N 396.468 3.639 0 40 GHAB CC(=O)Nc1nc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)cs1 58214807 OHNXGDBCIVDDBG-AWEZNQCLSA-N 394.294 3.841 0 40 GHAB O=C(Nc1ccn(Cc2ccccc2)n1)N(Cc1cccnc1)C[C@@H]1CCCO1 58268887 RXFKRDKAOJKRLO-FQEVSTJZSA-N 391.475 3.540 0 40 GHAB CC(C)c1noc([C@H](C)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)n1 27822998 GIRCSTFILSWDDM-AWEZNQCLSA-N 385.464 3.620 0 40 GHAB O=C(NC1CCN(CC2CCCC2)CC1)c1ccc(Br)cc1F 58391780 ZTILORCJULTZSO-UHFFFAOYSA-N 383.305 3.973 0 40 GHAB O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)NCc1ccccc1 2245694 OOGLWHCGLATXKS-UHFFFAOYSA-N 383.451 3.770 0 40 GHAB CN(C)c1ccc(NC(=O)Cc2csc(COc3ccc(F)cc3)n2)cn1 12673890 COFJUMCLANDWSJ-UHFFFAOYSA-N 386.452 3.503 0 40 GHAB COc1ccc(C(C)=O)cc1COC(=O)Cc1ccc(Br)cc1 3303528 VERFJSSWBPKKHY-UHFFFAOYSA-N 377.234 3.946 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(OC(C)C)cc2)cc1 12770666 KCRGCYPSCMYFQW-NRFANRHFSA-N 396.487 3.576 0 40 GHAB COC(=O)C1CCN(C(=O)c2ccc(CN3CCCc4ccccc43)cc2)CC1 20038500 DOVRGIGDXIWFIN-UHFFFAOYSA-N 392.499 3.665 0 40 GHAB C[C@H](c1nc(C(C)(C)C)no1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25154024 NKVDNKMWJRLVLH-CQSZACIVSA-N 399.491 3.794 0 40 GHAB Cc1ccc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1NC(=O)c1ccco1 3488232 USAYYIVMAORZQV-HZPDHXFCSA-N 398.459 3.787 0 40 GHAB CSc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 3429145 DAMPJCDZOQXGGT-AWEZNQCLSA-N 399.516 3.509 0 40 GHAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 12914088 YJWNMBIVAWPKRN-ZDUSSCGKSA-N 376.888 3.540 0 40 GHAB CCOc1ccccc1OCC(=O)N(Cc1nnc(-c2ccccc2)o1)C(C)C 12927550 MYAZUDHPXCCLMZ-UHFFFAOYSA-N 395.459 3.951 0 40 GHAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1F 12935487 QLROTVCVZKJNGV-UKRRQHHQSA-N 390.480 3.625 0 40 GHAB CSCC[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)O 12985879 ITSPMXNOBKYVNG-IRXDYDNUSA-N 375.515 3.843 0 40 GHAB COc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)sc2c1 8265701 UQTPSSFJSSAGKC-CQSZACIVSA-N 395.484 3.913 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 13019993 GTMPZSSQVTZJQE-FQEVSTJZSA-N 393.443 3.556 0 40 GHAB O=C1C[C@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N2NC=NC2=N1 409377356 GVLYUBRHNYLBSC-MRXNPFEDSA-N 389.242 3.748 0 40 GHAB CCOC(=O)c1sc2nc(/C(Cl)=C/c3cccc(O)c3)[nH]c(=O)c2c1C 13055646 TVLCTPQOBGYPJJ-WQLSENKSSA-N 390.848 3.912 0 40 GHAB CCOC(=O)c1c(NC(=O)C[C@@H](C(=O)O)c2ccccc2)sc(C)c1C 13251074 YATDCRZPFLHHPE-CQSZACIVSA-N 375.446 3.739 0 40 GHAB CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OC(=O)c1ccc(C)cc1 13322545 ZPFALKPZQPPTTN-BOPFTXTBSA-N 383.425 3.937 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 5199014 HTKZQCYQQBUGLE-LSBZLQRGSA-N 392.455 3.873 0 40 GHAB O=C(NCc1ccc(Cl)cc1)c1nc(-c2nc(-c3ccncc3)no2)cs1 65230633 WECKXNHXJYZVPO-UHFFFAOYSA-N 397.847 3.839 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1Cl 5478717 USIPQXQRVIONME-UHFFFAOYSA-N 388.880 3.875 0 40 GHAB CCCn1c(=O)n(CC(=O)c2cc(C)n(-c3nccs3)c2C)c2ccccc21 14350371 PVBCQNRMPUTQOO-UHFFFAOYSA-N 394.500 3.960 0 40 GHAB COc1cccc(CN2CCC3(CC2)C[C@H](CN2CCC(F)(F)CC2)O3)c1 306138537 SACVEJNWNPIMON-LJQANCHMSA-N 380.479 3.550 0 40 GHAB Cn1c(SCc2nnnn2-c2cccc(C(F)(F)F)c2)nc2ccccc21 6665267 XSKVHVWIEKJYFK-UHFFFAOYSA-N 390.394 3.860 0 40 GHAB C[C@H](Sc1nnc(N)s1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 5636757 GHNSJFDVQOCNIY-BQBZGAKWSA-N 377.322 3.785 0 40 GHAB O=C(NCc1cccnc1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 6829861 OKWCGEQKGOFXRU-UHFFFAOYSA-N 397.434 3.998 0 40 GHAB Cc1nnc(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)n1C1CC1 7617969 CLLHWSRTPIFMHE-NSHDSACASA-N 387.534 3.843 0 40 GHAB C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccc(C(F)(F)F)c1 7990662 ATFHIMWZGLELRO-LBPRGKRZSA-N 389.377 3.752 0 40 GHAB Cc1cc(=O)c(C(=O)NC2CCCCC2)nn1-c1cccc(C(F)(F)F)c1 7943555 IVYXRECWPUXSPN-UHFFFAOYSA-N 379.382 3.622 0 40 GHAB Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccccc1)S2 9237515 RIDKQKXGHPVUBP-CVEARBPZSA-N 385.880 3.638 0 40 GHAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1oc2c(F)cccc2c1C 9217579 UNLZNIPIVFIQDT-SFHVURJKSA-N 394.402 3.876 0 40 GHAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1nc2ccc(F)cc2s1 9313784 MORXVICQVJQJJZ-CQSZACIVSA-N 377.466 3.890 0 40 GHAB CCCn1c(SCC(=O)NCCC(C)C)nc2sc(CC)cc2c1=O 9362063 NZZKZVOPNVDJMM-UHFFFAOYSA-N 381.567 3.685 0 40 GHAB CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Br)c[nH]c1=O 94056684 WCSHZZXSRSBIFC-AWEZNQCLSA-N 399.672 3.833 0 40 GHAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)N3CCc4ccccc4C3)cc2c1C 9551927 NIGFGXSGBKKFBK-MRXNPFEDSA-N 376.456 3.915 0 40 GHAB Cc1csc(NC(=O)COC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 71886871 GPXGBIXRSLSVPA-NEPJUHHUSA-N 384.379 3.756 0 40 GHAB CCc1noc(CC)c1CC(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 87386176 PHECHRMWUGERMP-CQSZACIVSA-N 375.444 3.711 0 40 GHAB CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1nnc(C2CC2)s1)c1ccccc1 84240522 YZJQFGZIELZRIS-AWEZNQCLSA-N 388.493 3.663 0 40 GHAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3cccc(-c4nc[nH]n4)c3)cc2)n1 95480974 PYFQXUWVRDDJGR-UHFFFAOYSA-N 385.431 3.874 0 40 GHAB CCn1cnnc1CCNc1ncnc2scc(-c3ccc(OC)cc3)c12 95960350 FGEKZYHPHOUMFD-UHFFFAOYSA-N 380.477 3.633 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)C(C)C 9900989 AYDXYCRFPHTYIP-JOCHJYFZSA-N 389.499 3.816 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCC2)c2ccccc2)cc1 20106449 HJKGOIMDAZRJCI-UHFFFAOYSA-N 386.517 3.591 0 40 GHAB Cc1noc(CCCN2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)n1 1547205984 MLYOZYIGGFOMLR-UHFFFAOYSA-N 381.461 3.696 0 40 GHAB O=C(Nc1ccc(OS(=O)(=O)c2c(F)cccc2F)cc1)c1ccco1 22453873 PAADXIHPHOLVCU-UHFFFAOYSA-N 379.340 3.578 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1OC 408627972 OVPHXWZDZSTTAV-UHFFFAOYSA-N 391.449 3.579 0 40 GHAB O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)[nH]n2)C1 555884613 CAXMBIFOTBDTHH-SFHVURJKSA-N 391.446 3.875 0 40 GHAB Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 31108512 HGITZPYHOROIEB-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB C[C@H](c1ccccc1)N1CCN(C(=O)CSc2ccc(F)cc2F)CC1 510807754 CBFLLZQLCMKACF-OAHLLOKOSA-N 376.472 3.962 0 40 GHAB Cn1ncc(C(=O)N[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]32)c1Cc1ccccc1 529684970 MYHTYGDLYNJLTH-DUXKGJEZSA-N 377.875 3.732 0 40 GHAB COc1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)nc2c(C)cc(F)cc12 72328786 PUGPCWFHYCGCLZ-UHFFFAOYSA-N 393.462 3.962 0 40 GHAB CCc1cc(C(=O)N2CCC(c3nccnc3Oc3cccc(F)c3)CC2)on1 72362962 FRHRXVIMCOISPU-UHFFFAOYSA-N 396.422 3.978 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 72354808 YUVSKESNDIMVQJ-LJQANCHMSA-N 394.425 3.910 0 40 GHAB Cc1noc(C2CN(C(=O)NC[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)C2)n1 563061942 BMOWLFAWPPTECH-IINYFYTJSA-N 381.263 3.597 0 40 GHAB COc1ccc(CNC(=O)CSCc2ccc(Cl)cc2)c(OC)c1OC 45202822 LSORUPXZKLZCEF-UHFFFAOYSA-N 395.908 3.915 0 40 GHAB COc1ccc(CCNC(=O)CSc2nc3cc(Cl)ccc3n2C)cc1 46882584 MUFILTKYHSMDOO-UHFFFAOYSA-N 389.908 3.686 0 40 GHAB Cc1ccc(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)c(Cl)c1 225220164 CPPMMJDJRFGSCJ-UHFFFAOYSA-N 375.925 3.869 0 40 GHAB COc1cccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 224836600 MMYJEDGLNLEYRB-GOSISDBHSA-N 382.504 3.765 0 40 GHAB COc1ccc(NC(=O)C2(C3(C(=O)N4CCCC4)CC3)CC2)c2ccccc12 225926071 MVMGYGMFJNMVQR-UHFFFAOYSA-N 378.472 3.970 0 40 GHAB CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224803917 AQVCHHIRHVZSNM-UHFFFAOYSA-N 385.869 3.581 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)c(C)c1 225060928 MWQMJMRFQSWGLM-FQEVSTJZSA-N 396.531 3.668 0 40 GHAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccccc1Cl 224132539 DTHCQOXZVXCAJI-MRXNPFEDSA-N 375.852 3.836 0 40 GHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCc2ccccc21 223099086 VCTZDLMBZFRSQI-GOSISDBHSA-N 378.516 3.902 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCC1CCCCC1 224103350 MGXHJYSXKKZFSV-UHFFFAOYSA-N 392.565 3.726 0 40 GHAB COC(=O)c1ccc(NCC(C)C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223413908 NXHPTMSWAAVSPP-UHFFFAOYSA-N 396.896 3.995 0 40 GHAB O=C(O)[C@H](c1ccccc1F)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 579720964 UJCMNUTZMLFWIT-SFHVURJKSA-N 380.423 3.616 0 40 GHAB O=C(CCC1CCCC1)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 97674627 IZOKGWGDLWAIMC-GHRIWEEISA-N 390.480 3.949 0 40 GHAB CC(C)c1cc(C(=O)N2[C@@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3)[nH]n1 257268820 MNIGFSGNTRHOSF-CHSSDKTLSA-N 392.547 3.890 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 260790352 BLBURBWMNJRLHI-LSDHHAIUSA-N 388.961 3.827 0 40 GHAB O=C(N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 664876319 JERMHWQQGLKYKA-LGRHPFTQSA-N 398.425 3.839 0 40 GHAB Cn1cc(Cl)cc1C(=O)N1CCCCC[C@H](Nc2ncc(Cl)cn2)C1 1615612382 XWEUBJWIVVDJKR-AWEZNQCLSA-N 382.295 3.619 0 40 GHAB CCC[C@H]1SCCN1C(=O)CSc1nncn1-c1cccc(Cl)c1 605370510 YFMPMPHUSHJPFR-OAHLLOKOSA-N 382.942 3.714 0 40 GHAB CC(C)(C)c1ccc(C(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 96104443 UDZCJOOOKLCXCR-UHFFFAOYSA-N 391.920 3.936 0 40 GHAB O=C(NCCn1nc(-c2ccccn2)cc1C1CC1)c1cc(-c2ccco2)on1 96121718 HIPKDAUSCQAEGN-UHFFFAOYSA-N 389.415 3.501 0 40 GHAB COCCN1CCC[C@@]12CCCN(C(=O)CCCc1c[nH]c3ccccc13)CC2 585100693 SYEVAOMKDAHUIJ-XMMPIXPASA-N 397.563 3.984 0 40 GHAB COc1ccccc1CN1CCC(c2cc(O)nc(-c3ccccn3)n2)CC1 72392821 RCUXCXOXERXDBC-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 5576629 OYFOOLXISRLMPP-NSHDSACASA-N 378.222 3.642 0 40 GHAB C[C@@H](C(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1)c1ccccc1 12220849 KFLQJTDOHQBTCO-CYBMUJFWSA-N 385.418 3.572 0 40 GHAB CN(C(=O)C1CC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12326032 FYHNLQBDVASPFY-UHFFFAOYSA-N 381.501 3.872 0 40 GHAB CCOc1cc(NC(=S)NCc2ccco2)c(OCC)cc1NC(C)=O 13471403 HIENYQPPNWCDTJ-UHFFFAOYSA-N 377.466 3.522 0 40 GHAB CCOc1ccccc1NC(=O)CN1CCC(C(=O)c2ccc(OC)cc2)CC1 14325109 DRCRZJGVDIAXRC-UHFFFAOYSA-N 396.487 3.627 0 40 GHAB Cc1ccc2cc3c(nc2c1)N(NC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C)CC3 16778471 GMWKESSKADELAE-XZOQPEGZSA-N 377.488 3.722 0 40 GHAB Cc1ccc([C@]2(O)CCN(C(=O)c3ccc(-n4nc(C)cc4C)cc3)C2)cc1 19660011 HLTMZMVSGSARON-QHCPKHFHSA-N 375.472 3.531 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H]2c2ccc(Cc3ccccc3F)cn2)cn1 19687910 FJNHXGGWACZCMY-OAQYLSRUSA-N 376.435 3.887 0 40 GHAB COc1ccc(CN2C[C@@H](c3cccc(OC)c3)[C@@H]3NC(=O)CCCC[C@H]32)cc1 19712852 RLCQNIWTCFZQIL-ZDXQCDESSA-N 394.515 3.731 0 40 GHAB CCn1ccnc1CNC(=O)N[C@@H]1CCCCc2cc(Br)ccc21 661261547 JFOVOUYFRARJST-MRXNPFEDSA-N 391.313 3.932 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 6859707 FVNCRIINDNEOEU-MRXNPFEDSA-N 388.870 3.529 0 40 GHAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCCCC1 6866633 KLXRTAWKAAKVHG-UHFFFAOYSA-N 398.528 3.911 0 40 GHAB CC(=O)Nc1ccc(NCC(=O)Nc2ccc(F)c(F)c2)c(C(F)(F)F)c1 29902629 VWSPUZHNKKGRHH-UHFFFAOYSA-N 387.308 3.993 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)c(O)n2)c1 4317376 HFIRCBIOEPFNOO-UHFFFAOYSA-N 380.473 3.516 0 40 GHAB CCc1ccc(NC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)cc1 4853094 IDHHKGBAIAUWBT-UHFFFAOYSA-N 397.475 3.973 0 40 GHAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccc2ccccc2c1 5075939 PCZNJZCGPAEFIB-UHFFFAOYSA-N 380.469 3.940 0 40 GHAB Fc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)n2nnnc2N3)c1 10336904 RUFASFSNAVDXJN-NHCUHLMSSA-N 398.401 3.767 0 40 GHAB O=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1nc2ccccc2s1 11693278 ACUOPSLPYYUTIW-UHFFFAOYSA-N 390.468 3.939 0 40 GHAB O=C(Cn1ccccc1=O)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12 2055738926 ARNBFJFKJGHWMC-UHFFFAOYSA-N 399.494 3.560 0 40 GHAB COc1ccc2sc(N(Cc3ccccn3)C(=O)c3snnc3C)nc2c1 36692276 TYFMZFBXRMLZOY-UHFFFAOYSA-N 397.485 3.707 0 40 GHAB COc1cc(C=O)ccc1OCCCSc1nnc(Cc2ccccc2)n1C 8731723 OHUXGWUFXBSHNS-UHFFFAOYSA-N 397.500 3.788 0 40 GHAB COc1ccc([C@@H]2[C@H](C(=O)NC3CC3)CCC(=O)N2c2ccc(C)cc2)cc1 30553921 YEWGQEZKMJHUSC-IFMALSPDSA-N 378.472 3.767 0 40 GHAB COc1ccc(-c2nc(CSCC(=O)Nc3ccc4c(c3)OCO4)co2)cc1 31424425 BZICXNYIGXSYLY-UHFFFAOYSA-N 398.440 3.951 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(Cc3ccccc3)n2C)c1C 7814972 SSQHCWPKLKFQCG-HNNXBMFYSA-N 396.516 3.917 0 40 GHAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NC1CCOCC1 71978220 OKWKJQFVIYOVBS-UHFFFAOYSA-N 397.475 3.823 0 40 GHAB CC(C)n1ncc2cc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cnc21 32097974 VCDJVONXEYYTCH-UHFFFAOYSA-N 384.383 3.832 0 40 GHAB COc1ccc2c(c1)[C@@]1(Nc3ccccc3C(=O)N1CCc1ccccc1)C(=O)N2 3671111 LIAGRNXLYMHUBD-DEOSSOPVSA-N 399.450 3.611 0 40 GHAB CCOc1ccc(NC(=S)N2[C@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)cc1 4857419 KJGJABPWMKFICH-AYHJJNSGSA-N 387.549 3.694 0 40 GHAB Cc1ccc(C(=O)N[S@](=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 6211543 MABLENRTHWMZLL-NDEPHWFRSA-N 393.468 3.668 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1C 7990925 QRUNZQNPODVUQV-UHFFFAOYSA-N 388.471 3.735 0 40 GHAB CC[C@H](C(=O)N[C@H]1CCOc2ccccc21)n1nnc(-c2ccc(Cl)cc2)n1 32808716 INJUJKFPAGJZQY-DLBZAZTESA-N 397.866 3.585 0 40 GHAB O=C1/C(=C/c2ccc(O)cc2)c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 32811830 RWEDXRORYCBMEE-RGVLZGJSSA-N 399.402 3.844 0 40 GHAB C[C@@H](OC(=O)c1ccc2nc(N)sc2c1)C(=O)N[C@H]1CCCc2ccccc21 7981284 ZORIYBLLIWFLEK-WBMJQRKESA-N 395.484 3.618 0 40 GHAB Cc1ccc(OCCSc2nnc(COc3ccc(C)cc3C)n2N)cc1 7934468 IIIRQJYRRSCZPL-UHFFFAOYSA-N 384.505 3.667 0 40 GHAB COc1ccc(N2C[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)cc1 8782406 KHPNBWWDZDLBKV-FQEVSTJZSA-N 392.499 3.529 0 40 GHAB CCOc1ccc(NC(=O)CN(C)C(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1OCC 8313502 XTNYHNVZUVZFCG-GVDBMIGSSA-N 388.508 3.707 0 40 GHAB O[C@H](COc1ccc(Cl)cc1Cl)Cn1nnc(-c2cccc(Cl)c2)n1 32927831 KXUZCQIKRJOSNJ-ZDUSSCGKSA-N 399.665 3.740 0 40 GHAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnc2nc(C(F)(F)F)nn12 10338718 HONSYUHHUIOCAI-UHFFFAOYSA-N 389.259 3.723 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1OC 643466 YTSAWLDPYFTENE-ACCUITESSA-N 382.460 3.884 0 40 GHAB COc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1 884387 VEHJQQPYFRRCCT-UHFFFAOYSA-N 380.400 3.866 0 40 GHAB Cc1ccccc1NC(=O)Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O 23125691 WXPJUNSZXFXAHT-UHFFFAOYSA-N 386.411 3.512 0 40 GHAB Cc1sc2nc(CN3CCOCC3)nc(N3CCc4ccccc43)c2c1C 23380738 CMUMEHODAPEQER-UHFFFAOYSA-N 380.517 3.835 0 40 GHAB O=C(OCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1cc(Cl)c[nH]1 61054567 BFHSUUKZKPMRKS-IBGZPJMESA-N 394.858 3.999 0 40 GHAB Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCC[C@@H](c2nc3ccccc3s2)C1 24497344 WCNJSJHYZHXAOW-OAHLLOKOSA-N 391.496 3.971 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 16594409 KECNIAKCNDWQLQ-UHFFFAOYSA-N 376.460 3.508 0 40 GHAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)c1 57313100 UGBHGUGFHCWERA-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(F)c1 57291789 HMNOBBZAIMYGPE-UHFFFAOYSA-N 381.373 3.605 0 40 GHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccccc2F)CC1 20459273 WYKNMRIZNWLNJY-IBGZPJMESA-N 376.859 3.985 0 40 GHAB Cc1cc(N2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)nc(C(C)C)n1 26556834 NWMMOGUHNAGYSC-UHFFFAOYSA-N 378.520 3.679 0 40 GHAB CC(C)Oc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 20107647 NJIUOADCYPXZJV-UHFFFAOYSA-N 382.869 3.751 0 40 GHAB COc1ccccc1[C@@H](CNCc1csc(-c2ncccn2)n1)N1CCCC1 58202611 QHSWUBLNFKGTAU-GOSISDBHSA-N 395.532 3.535 0 40 GHAB COc1ccc(C(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)c(O)c1 10637509 RWFBBWWLFMTRRW-NSHDSACASA-N 375.375 3.679 0 40 GHAB CN1CCN(CCCNC(=O)CCCc2cccs2)[C@H](c2ccccc2)C1 36389949 IQIBSPPCRBSTBK-NRFANRHFSA-N 385.577 3.566 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)N[C@@H](C)c2ccc(Br)cc2)cc1 36395719 VFFFMJNSQIBFEC-UONOGXRCSA-N 391.309 3.813 0 40 GHAB O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCc2sccc2C1 10924658 CIBZYCDFOYFUQO-HNNXBMFYSA-N 378.906 3.789 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)c1 3311831 WQJMJSCIJWBWOR-UTSBKAFOSA-N 389.835 3.941 0 40 GHAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(C)n1C1CC1 8230095 PFRKDIOVABBAHR-HSZRJFAPSA-N 393.487 3.566 0 40 GHAB O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)NCC1CCCCC1 12786416 NHZUCBCTNIFUHP-UHFFFAOYSA-N 381.501 3.822 0 40 GHAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(F)c(F)c2)c(OC)c1OC 48369168 HMYCXHHBCIJKBO-GFCCVEGCSA-N 379.403 3.801 0 40 GHAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)NCc1ccc(F)cc1 3484006 AOEXMDJUARQZFM-UHFFFAOYSA-N 380.206 3.771 0 40 GHAB CN1CCC(N(C)C[C@@H](Nc2ncnc3ccccc23)c2ccccc2)CC1 62580993 NOBJBYYWZBREKZ-JOCHJYFZSA-N 375.520 3.809 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c(OC)c1 12946464 NUEZYURBZMJUSW-GOSISDBHSA-N 375.490 3.846 0 40 GHAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 17078313 JCRFRYJFDJWCPE-KRWDZBQOSA-N 383.473 3.934 0 40 GHAB CC(C)Oc1ccc(C(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 5071393 AJVDKGFMBITDRB-SFHVURJKSA-N 389.448 3.570 0 40 GHAB CCCOc1ccc(C(=O)NC(=S)NN2CCCC[C@@H]2c2cccnc2)cc1 5076557 MEKXYMZEZHJPKN-LJQANCHMSA-N 398.532 3.617 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 4475748 SNWCGCFBJISYOK-KRWDZBQOSA-N 380.444 3.668 0 40 GHAB O=C(Cc1ccsc1)OCc1nnc(-c2ccccc2Br)o1 6423609 ZXEJFBNXPZVODJ-UHFFFAOYSA-N 379.235 3.847 0 40 GHAB O=C(O)c1cccc(CN2C(=O)S[C@@H](Nc3ccc(Cl)cc3)C2=O)c1 4669008 ABIIFLRICPTVKS-CQSZACIVSA-N 376.821 3.672 0 40 GHAB Cc1ccc(-c2noc(CN([C@@H]3CCCc4ccccc43)S(C)(=O)=O)n2)cc1 6661863 ZONMVXDLZMLRIL-LJQANCHMSA-N 397.500 3.884 0 40 GHAB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)C(Cl)(Cl)Cl 4741147 ZRJQMLIQJUFNGN-UHFFFAOYSA-N 390.683 3.778 0 40 GHAB CN1C(=O)N(C)[C@@]2(c3ccccc3)N(C(C)(C)C)C(=O)N[C@@]12c1ccccc1 4765407 WATLGMXWCKXWAM-VXKWHMMOSA-N 378.476 3.513 0 40 GHAB CN(Cc1ccccc1)CC1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1 66676143 RGVQXJYDARFKOQ-UHFFFAOYSA-N 389.499 3.512 0 40 GHAB CCN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)C1=CCCC1 6879134 KPHXMNCLUFKLPU-UHFFFAOYSA-N 379.489 3.824 0 40 GHAB COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc(OC)c1OC 8706416 HELDUCLHTWGPBG-AWEZNQCLSA-N 395.459 3.609 0 40 GHAB COc1ccc2c(C)c(CC(=O)Nc3ccc4[nH]ccc4c3)c(=O)oc2c1OC 8764477 JJSQHFPUIGJCFK-UHFFFAOYSA-N 392.411 3.781 0 40 GHAB biogenic C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(-n2ccnc2)cc1 7050195 GGHSJOHATDJJRN-ZDUSSCGKSA-N 395.406 3.931 0 40 GHAB COc1ccc(OC)c2c1cc(C(=O)NCCc1c[nH]c3ccccc13)n2C 8764901 JSTWXFWHGWRZHZ-UHFFFAOYSA-N 377.444 3.649 0 40 GHAB biogenic CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1nnc(-c2ccccc2)o1 7315612 DRFUUISHSQLTPB-IBGZPJMESA-N 389.411 3.744 0 40 GHAB COc1cc(OC)c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1Cl 15949183 USVZETHQDHNDAM-MRXNPFEDSA-N 392.864 3.799 0 40 GHAB Cc1nc(COc2ccc([C@H]3N=C(N)Nc4nc5ccccc5n43)cc2)cs1 19354034 PJBVMZRFUTVYTR-SFHVURJKSA-N 390.472 3.667 0 40 GHAB Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)c4ccccc4)s3)CC2=O)c1 9199220 DHOPFBYYRQFSLY-INIZCTEOSA-N 392.484 3.928 0 40 GHAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccccc4)c3C)ns2)cc1C 9638666 KMGYXADKQXYTKV-UHFFFAOYSA-N 390.472 3.963 0 40 GHAB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)c2ccccc2)cc1 409371926 JWHUQKBNRDVHRQ-LGGPRVQUSA-N 399.446 3.868 0 40 GHAB COc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Br)c2)cc1 72329046 HTEBJFTXOBCPDO-UHFFFAOYSA-N 386.249 3.778 0 40 GHAB Cc1nc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)ccc1Br 72305645 BVDSDNBIDBSERX-CYBMUJFWSA-N 388.265 3.682 0 40 GHAB COc1cccc(OC)c1CC(=O)Nc1c2c(nn1-c1ccccc1)CCC2 97227611 KJDCDBSKSVNWOA-UHFFFAOYSA-N 377.444 3.559 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900672 AEFFIEOELBIEIS-OPAMFIHVSA-N 389.499 3.897 0 40 GHAB Cc1ccc(C(=O)N2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)o1 306131368 KCORGNDBMGDYPC-HXUWFJFHSA-N 388.427 3.511 0 40 GHAB Oc1nc(CSc2nc3c(c(C(F)(F)F)n2)CCC3)nc2ccccc12 408581461 IFXHDLPPJPDPDP-UHFFFAOYSA-N 378.379 3.925 0 40 GHAB CC(C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1 6221666 IGGXQCAOBXNXEZ-GOSISDBHSA-N 394.924 3.969 0 40 GHAB biogenic CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(OC)cc1 33709355 LLXPPPHPFSLPEX-UHFFFAOYSA-N 383.473 3.861 0 40 GHAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 72378916 OQQJORJCDDBHEO-IBGZPJMESA-N 378.451 3.875 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)N4CCC(C)CC4)C3)no2)cc1 35989253 IVIQSWUVTZZOMI-LJQANCHMSA-N 395.503 3.761 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(Br)cc1C 48242463 OBCYCKSMFDSOKF-UHFFFAOYSA-N 394.265 3.713 0 40 GHAB O=C(NCCCc1ccco1)/C(=C/c1cccs1)NC(=O)c1ccccc1 224988850 UBBWLCDKIRKCBT-CYVLTUHYSA-N 380.469 3.861 0 40 GHAB CCn1c(=O)c2ccccc2n2c(COc3cc(Cl)ccc3Cl)nnc12 40020220 SRDBARQNZNSWGJ-UHFFFAOYSA-N 389.242 3.950 0 40 GHAB COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)cc1C(C)C 223702416 IPJAESHGZRBGLX-UHFFFAOYSA-N 399.516 3.791 0 40 GHAB CC1=NS(=O)(=O)c2cc(C(=O)NCc3cccc(C)c3)ccc2N1CC(C)C 225867224 XXNZLUVZMIMYGV-UHFFFAOYSA-N 399.516 3.508 0 40 GHAB COc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)C)cc1 225681665 RTGIWTHSBZADOS-LJQANCHMSA-N 396.531 3.796 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(I)cc2)cc1C 225524538 WKQGOCDBCHFIPH-UHFFFAOYSA-N 381.213 3.789 0 40 GHAB CN(CCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 44916802 LDLNEAPWMXJUAC-UHFFFAOYSA-N 385.939 3.805 0 40 GHAB C[C@@H](NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)c1ccn(C)n1 570175437 YPURWCYBICSTEM-SNVBAGLBSA-N 387.431 3.546 0 40 GHAB CCc1ccc(N([C@@H](C)C(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1 220280254 GERYMKHDQDCWHI-INIZCTEOSA-N 380.554 3.633 0 40 GHAB O=C(NCCc1ccccn1)Nc1cc(Br)ccc1Br 44078711 XTLFRAQOAHLMRX-UHFFFAOYSA-N 399.086 3.971 0 40 GHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 225038593 LWNDNOAPYDTKKI-CRRKTRLDSA-N 397.452 3.863 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 224951534 UTOUDNLDBVVORW-AWEZNQCLSA-N 375.490 3.810 0 40 GHAB Cn1ccnc1[C@@H]1N(C(=O)NCc2cccc(-c3ccccn3)c2)CC1(C)C 581929000 SHRDPLPYRPEQNG-IBGZPJMESA-N 375.476 3.775 0 40 GHAB CC1(C)CC(=O)c2cc(NC(=O)NCc3nccc(C(F)(F)F)n3)ccc2O1 583801417 BQABCXZKCSAXKC-UHFFFAOYSA-N 394.353 3.561 0 40 GHAB O=C(c1ccncn1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257267913 MJKGICMHCYQGMF-OAHLLOKOSA-N 382.851 3.729 0 40 GHAB C[C@H](CNCc1cccc(N2CCOCC2)n1)c1ccc(C(F)(F)F)cc1 585084403 PJMLXEWWZVFCBI-OAHLLOKOSA-N 379.426 3.830 0 40 GHAB Cc1noc([C@]2(C)CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)n1 257210281 BTYLJCDLIFKYGO-OAQYLSRUSA-N 381.432 3.890 0 40 GHAB Cc1cc(N2C(=O)OC[C@@H]2Cc2ccccc2)nc(C2CCN(C(C)C)CC2)n1 257343705 ZUCNSAUPJZXPPL-FQEVSTJZSA-N 394.519 3.941 0 40 GHAB NC(=O)c1ccc(-c2cccc([C@@H]3CN(Cc4ccc(F)cc4)CCO3)n2)cc1 257239270 HOQCXCBCYGVTHS-QFIPXVFZSA-N 391.446 3.560 0 40 GHAB O=C(O)c1cnc(NCCOc2ccc(F)cc2)nc1CCCc1ccccc1 257210834 BWJHGVUBMZTPJD-UHFFFAOYSA-N 395.434 3.980 0 40 GHAB Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1cnn(C2CCN(C)CC2)c1 634093490 MRRBCRGBAHUFBN-UHFFFAOYSA-N 398.898 3.550 0 40 GHAB O=C(Cc1cnn2ccccc12)N1CCC(c2nc(C(F)(F)F)cs2)CC1 648406962 JCVWINHADSRAGK-UHFFFAOYSA-N 394.422 3.758 0 40 GHAB COc1cccc([C@H]2C[C@H](NC(=O)NC[C@@H]3C[C@H](c4ccccc4)CO3)C2)c1 661283544 AHWGIEVHBFKHFE-XWUOBKMESA-N 380.488 3.813 0 40 GHAB Cc1ncc(CN2CCC[C@@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)s1 585099822 CXXBJXFPLIGIFK-HXUWFJFHSA-N 388.537 3.604 0 40 GHAB Cc1ccc(C)c(CN2CCOC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 585103648 FDAQCXRUASOYPV-HSZRJFAPSA-N 382.479 3.698 0 40 GHAB Cc1nc(/C=C/C(=O)N2CC[C@H](O)[C@H](Cc3ccc(Cl)cc3)C2)cs1 585290268 PNWWGEJPXVJLGC-FVQGUVRESA-N 376.909 3.570 0 40 GHAB CC1CCC(N(C)C(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1 69535073 ULCVHBMGLUPAGR-UHFFFAOYSA-N 375.490 3.904 0 40 GHAB Cc1cc(C)n(CCC(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)n1 1615153569 CDPDBTOBQHJORW-NQIIRXRSSA-N 398.526 3.935 0 40 GHAB COc1cc(Cl)c(/C=C2/NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 8106847 HEXPZZOPZBBKTO-VGOFMYFVSA-N 376.771 3.594 0 40 GHAB CCCCN1C(=O)COc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc21 12083290 SQUHEVHAXINANA-UHFFFAOYSA-N 392.411 3.571 0 40 GHAB COc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1Cn1ccnc1 12117049 BTVFXQINXVYZRN-UHFFFAOYSA-N 395.478 3.563 0 40 GHAB CCCn1nc2nc(N3CCC(CC(=O)O)CC3)cc(C(F)(F)F)c2c1C 12398938 FPECBNZFYCQKJV-UHFFFAOYSA-N 384.402 3.860 0 40 GHAB CCCn1nc(C(=O)NCCSCc2ccsc2)c2ccccc2c1=O 12977400 JOTMWWSBFDUFLN-UHFFFAOYSA-N 387.530 3.531 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(SC)c1)N(c1ccccc1)S(C)(=O)=O 13711382 UFOPHUIUKQAVBW-KRWDZBQOSA-N 378.519 3.592 0 40 GHAB Cc1cccc(N2CCN(C(=O)/C=C/c3ccc4c(c3)OCCCO4)CC2)c1 16280932 QBIDYFLVACPDGV-VQHVLOKHSA-N 378.472 3.518 0 40 GHAB COc1ccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C 19577380 VAKKKQCOXVTBPN-NRFANRHFSA-N 380.536 3.817 0 40 GHAB CN(C)c1cc(C[C@@H](NC(=O)c2ccncc2)c2ccccc2)nc(C2CC2)n1 19584258 HLYNLEZUPPSXQB-HXUWFJFHSA-N 387.487 3.529 0 40 GHAB Cc1noc(C)c1CC(=O)N1CCCCC[C@@H]2N[C@H](Cc3ccccc3)C[C@@]21C 19713488 ITAYUGVYBRBWEA-SFLYRZDNSA-N 395.547 3.968 0 40 GHAB Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCc3c(C)nn(C)c3C)c2c1 19719051 CTQNLZFSQCVRPV-UHFFFAOYSA-N 399.498 3.928 0 40 GHAB Cc1cc2ncc3c(n2n1)CCN(C(=O)CCc1ccc(Cl)c(Cl)c1)C3 208035837 HHAJHVZXWGCCOC-UHFFFAOYSA-N 389.286 3.862 0 40 GHAB COc1ccc(Br)c([C@H](CO)N(C)Cc2ncccc2Cl)c1 528517373 HYXOBCLUEMUQAK-INIZCTEOSA-N 385.689 3.672 0 40 GHAB O=C(CCn1c(C(F)(F)F)cc2cccnc21)N1CC[C@]2(O)CCCC[C@H]2C1 12089731 MZYROFZIEGTTBV-HNAYVOBHSA-N 395.425 3.599 0 40 GHAB CCOC(=O)[C@@]12CC=CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)[C@@H]1CCC2 12275336 IFSLPTGLDRAQRK-NFBKMPQASA-N 393.487 3.751 0 40 GHAB O=C1COC[C@@]2(CCN(Cc3c(F)cccc3Cl)C2)CN1c1ccccc1 2037984027 NSSPNSZIAMYYIC-OAQYLSRUSA-N 388.870 3.735 0 40 GHAB CSc1c(CC(=O)NC(C)(C)CO)n(Cc2ccccc2)c2ccccc12 862770 BDOXVGCJEWEUSP-UHFFFAOYSA-N 382.529 3.841 0 40 GHAB Cc1ccc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)cc1Cl 4326004 PAPMGULJLQGLLA-UHFFFAOYSA-N 386.810 3.830 0 40 GHAB COc1cccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)c1OC 4375382 LPCMJIZOGSHHAR-UHFFFAOYSA-N 386.448 3.939 0 40 GHAB O=C(CSc1nnc2ccc(-c3ccccn3)nn12)c1ccc(Cl)cc1 5168360 RDYUVQQDKMZGQP-UHFFFAOYSA-N 381.848 3.815 0 40 GHAB CCn1cc(C(=O)Nc2ccc(F)c(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1 9661457 YXQBKZBEBZQCQN-UHFFFAOYSA-N 394.381 3.689 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 15390757 CVJZIFKEADDOSL-IBGZPJMESA-N 386.517 3.875 0 40 GHAB Cc1nc(CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)no1 2086896823 KEZFUVQUYIRDQW-UHFFFAOYSA-N 386.459 3.763 0 40 GHAB COc1ccc(CNC(=O)c2nnn(-c3ccc(C)cc3)c2-c2cccnc2)cc1 38487471 WWGFVWMZHXWBAC-UHFFFAOYSA-N 399.454 3.576 0 40 GHAB CCN1CCN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 22465849 LUUBGZUTYPIZOR-RZTYHALVSA-N 398.591 3.532 0 40 GHAB O=C1S/C(=C2/SC(=O)N(c3ccccc3)C2=O)C(=O)N1c1ccccc1 2297374 NKXCLOQFMLDBSL-BUHFOSPRSA-N 382.422 3.998 0 40 GHAB Cc1nc(NC(=O)CCc2c[nH]c3ccccc23)sc1-c1nnc(S)n1C 40050203 BHZFFAMECKAEMZ-UHFFFAOYSA-N 398.517 3.588 0 40 GHAB COc1cccc(-c2n[nH]cc2CNCc2cccc(N3CCCC3=O)c2)c1 40153244 XPWJVMYCPRDYOD-UHFFFAOYSA-N 376.460 3.502 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@H](C)c2ccc(F)cc2)cs1 40129670 ISAQIUBYSOAGDQ-NSHDSACASA-N 387.436 3.856 0 40 GHAB COc1cc(OC)c(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)cc1Cl 20427366 GSBWDYRZJFGQIM-ORAYPTAESA-N 388.851 3.515 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c1 31722892 OQAQUEFPGNFFCG-UHFFFAOYSA-N 393.530 3.821 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(C)c2)cc1OC 1343060 MKWDGIFLGOAIOU-QGZVFWFLSA-N 383.448 3.647 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2ccccn2)n1-c1cc(C)cc(C)c1 1362552 NLXOYOIRTJMTAU-UHFFFAOYSA-N 395.532 3.907 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C)o4)no3)C2)c1 1364751 MTRMSTQWFSXEHQ-CQSZACIVSA-N 397.431 3.675 0 40 GHAB CCc1ccc2c(c1)c1nnc(SCC(=O)N3CCCC[C@@H]3C)nc1n2C 1366168 STIJNLBRSMASIB-ZDUSSCGKSA-N 383.521 3.572 0 40 GHAB CCOc1ccc(CN(C)[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1 29249732 VDBMNNLNZNUCJQ-QGZVFWFLSA-N 383.492 3.871 0 40 GHAB COCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2ccc(OC)cc2)s1 4881019 OVRIJDRMRHTDTK-UHFFFAOYSA-N 383.473 3.815 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 6944959 ZIHDQUSHJVCYHJ-MRXNPFEDSA-N 392.496 3.634 0 40 GHAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C(C(=O)OC(C)C)=C(C)N2 6952896 MKPLVRFJZZVXCF-CYBMUJFWSA-N 391.518 3.726 0 40 GHAB O=C(COC(=O)c1cccnc1SC(F)F)NC12CC3CC(CC(C3)C1)C2 7283836 CCFBNNJXXIYSMI-UHFFFAOYSA-N 396.459 3.638 0 40 GHAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OCC(N)=O)cc1 46198164 YQTAJIXUFBFYDN-INIZCTEOSA-N 390.439 3.624 0 40 GHAB CCOC(=O)[C@@H](NC(=O)c1ccccc1)c1c(C)nn(-c2ccc(F)cc2)c1C 32753608 LDCVOUBMERPMSD-FQEVSTJZSA-N 395.434 3.662 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2C)cc1 8807746 MWFBOCUIEPKNDO-UHFFFAOYSA-N 383.473 3.869 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NC[C@H](c1cccs1)N1CCOCC1 32902337 RRUXZKVBCZJXOB-IWAYRVGRSA-N 376.909 3.604 0 40 GHAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C)c3)CC2)c(C)c1 2693036 UTQIFQPQEHCCDF-UHFFFAOYSA-N 378.925 3.776 0 40 GHAB CCOc1ccc(-c2nc(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cs2)cc1OC 102793412 LFXAMQPOTAMCCY-HZPDHXFCSA-N 398.484 3.669 0 40 GHAB Cc1ccc(-c2cc(C(F)(F)F)nc(S[C@H]3CC(=O)[C@H]4OC[C@H]3O4)n2)cc1 102998750 VHSVBFVUAMIUAE-YCPHGPKFSA-N 396.390 3.646 0 40 GHAB Cc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102593039 YNWUYIJQIAYDOL-ATUYINLCSA-N 398.462 3.805 0 40 GHAB Cc1ccc(-c2csc(NC(=O)Cn3nnc(-c4ccccc4)n3)n2)c(C)c1 2788417 TXTGHGTYIMZZLS-UHFFFAOYSA-N 390.472 3.719 0 40 GHAB Cc1cccc(N2CCN(CCOc3ccc4c(C)cc(=O)oc4c3)CC2)c1 68752431 RCICPOGFPQXXPS-UHFFFAOYSA-N 378.472 3.611 0 40 GHAB COc1cccc2c1OC1(CCNCC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 1282590 SDUHVCHWOOSZBD-GOSISDBHSA-N 383.879 3.972 0 40 GHAB CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1 106132611 CAXVNDBLBZHGTD-APWZRJJASA-N 376.497 3.672 0 40 GHAB COc1cc(C(=O)CC(=O)Cc2ccc3ccccc3n2)cc(OC)c1OC 104271130 UHIRUOFKRDDGAJ-UHFFFAOYSA-N 379.412 3.645 0 40 GHAB CN(C(=O)C1CC1)c1ccccc1C(=O)N[C@@H]1CCOc2c(Cl)cccc21 56251848 JUVGXAQEMNZOIM-QGZVFWFLSA-N 384.863 3.966 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 25865175 DGKCZFUZDLPIME-UHFFFAOYSA-N 388.920 3.879 0 40 GHAB Cc1cc(=O)c(C(=O)OCc2cc(-c3cccs3)on2)nn1-c1ccccc1 25852648 LRTXQHROHANVTE-UHFFFAOYSA-N 393.424 3.614 0 40 GHAB C[C@H](NC(=O)COC(=O)/C=C/c1nc2ccccc2s1)[C@H]1C[C@H]2CC[C@H]1C2 107444787 IUPOOASXKZMCBI-NDPRVNQCSA-N 384.501 3.794 0 40 GHAB CCN(C(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1)c1nc2ccccc2s1 26908611 AYHHWAVIDJCYTJ-GOSISDBHSA-N 397.500 3.925 0 40 GHAB CSc1ccc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)cc1 27022102 RAYQRAMOSUKLMQ-NOCYUORASA-N 383.523 3.653 0 40 GHAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCCC(C)(C)C1 2260489 NZRGRAGCGDDAEN-UHFFFAOYSA-N 375.444 3.544 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CCc1c[nH]c2ccccc12 3308153 TWDKAWCDKCTKPI-UHFFFAOYSA-N 396.443 3.648 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1Cl 12792024 XBMOKVIMQQJBJC-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB COC(=O)Nc1ccc(CNC(=O)COc2ccc(Cl)c(Cl)c2)cc1 48374111 JOHOLUJRXMVORD-UHFFFAOYSA-N 383.231 3.867 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 12811554 GVFQOUWSXDNRNO-YLJYHZDGSA-N 380.488 3.781 0 40 GHAB CC[C@H]1c2ccsc2CCN1CC(=O)Nc1cc(OC)c(OC)c(OC)c1 12897640 VRJXLDVMSBIVCS-HNNXBMFYSA-N 390.505 3.722 0 40 GHAB CCN1CCc2nc(NC(=O)COc3c(Cl)cccc3Cl)sc2C1 12817853 JGHWWTBOCQUPTC-UHFFFAOYSA-N 386.304 3.845 0 40 GHAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1 3473632 RHXGSRPBXFWEML-UHFFFAOYSA-N 394.496 3.780 0 40 GHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NC1CC1 3457185 TWTGUFAFDSXOKE-UHFFFAOYSA-N 384.892 3.958 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1nc(-c2ccco2)sc1C 12950239 PHYGMZQLFLIFMA-UHFFFAOYSA-N 376.459 3.676 0 40 GHAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)N1CCC(C)CC1 12976084 OHDMZECKFKNSBM-UHFFFAOYSA-N 385.533 3.562 0 40 GHAB O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(N2CCCC2)nc1 12972639 VINPPGFNSWQNPO-UHFFFAOYSA-N 384.530 3.726 0 40 GHAB COc1cccc2c1OCC(C(=O)Nc1ccc(NC3CCOCC3)cc1)=C2 69586717 JNDGKBMDLFRUBP-UHFFFAOYSA-N 380.444 3.701 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 4122754 NFYDHKVLXGIPDN-UHFFFAOYSA-N 390.739 3.998 0 40 GHAB O=C(NC[C@H](O)c1ccccc1)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 13655147 YDRLSBXXXJUBHK-FQEVSTJZSA-N 399.450 3.623 0 40 GHAB Cc1c(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)oc2cc(O)ccc12 13681505 HQEUIWVANQAPDX-UHFFFAOYSA-N 393.317 3.887 0 40 GHAB Cc1ccc(OCC(=O)N2N=C3CCCCC[C@H]3[C@@]2(O)C(F)(F)F)cc1C 5024389 AXQKTTYQSLEIPV-CRAIPNDOSA-N 384.398 3.712 0 40 GHAB COc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1S(=O)(=O)N(C)C 8328478 DOATVZNQGSWZOT-UHFFFAOYSA-N 396.553 3.737 0 40 GHAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)NCc1cccs1 5186011 HDHROEZVSRBTBX-UHFFFAOYSA-N 377.469 3.993 0 40 GHAB CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)C(C)(C)CC)s2)CC1=O 13944388 FPTMYLNREYNDGP-AWEZNQCLSA-N 386.521 3.996 0 40 GHAB Cc1cccc(CN2C[C@@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)n1 306124542 BTIRPXYHHIPDBC-TZIWHRDSSA-N 396.537 3.874 0 40 GHAB CCCCN(C)C(=O)/C(=C/c1ccc(Br)cc1)n1ccccc1=O 4550918 XLTNPHWAPMUAOX-VKAVYKQESA-N 389.293 3.867 0 40 GHAB COc1ccc(-n2ccc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)n2)cc1 65626054 LVQDTOWHRIBTLB-UHFFFAOYSA-N 375.428 3.516 0 40 GHAB CCn1cc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c(=O)c2ccccc21 22234546 UHKHZPLPNNBGBR-CQSZACIVSA-N 380.444 3.530 0 40 GHAB CCNC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 4830433 KFAMZRWBDGTBDB-UHFFFAOYSA-N 380.473 3.682 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(=O)c2ccccc2o1 4966502 RJHGEEQLPQEMNT-ZRGWGRIASA-N 386.444 3.954 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)cc1C 67322205 OZPPDLFETNYSIS-UHFFFAOYSA-N 395.438 3.542 0 40 GHAB CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1CCCc2occc21 69548866 YSLDWGPDCXSKBB-VQTJNVASSA-N 380.488 3.773 0 40 GHAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 7726614 AGXSGXCAULLGIL-UHFFFAOYSA-N 384.379 3.633 0 40 GHAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2ccccc2)cc1 9613579 WHHXLAILWOOLAS-UHFFFAOYSA-N 377.444 3.547 0 40 GHAB Cc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccc(F)cc3)s2)CC1=O 9199521 XEBPMZNPXQJZPZ-CQSZACIVSA-N 396.447 3.758 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)c(C)c1 71327210 SXGDLFIBXLUAPW-UHFFFAOYSA-N 395.438 3.542 0 40 GHAB O=C1CCCCN1C1CCN(Cc2cccc(OCc3ccccn3)c2)CC1 93741839 JRQMUZIEAJNNSL-UHFFFAOYSA-N 379.504 3.638 0 40 GHAB CC(=O)O[C@H](c1ccccc1)c1nc(C2CCN(C(=O)C3CCCC3)CC2)no1 72303508 ISHQSXDNRODKLZ-LJQANCHMSA-N 397.475 3.618 0 40 GHAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc2sc(C(=O)O)cc2c1 95349834 QFMDFJWMPBHZRL-UHFFFAOYSA-N 377.425 3.966 0 40 GHAB CC1(C)[C@H]2CC=C(COC(=O)c3sccc3S(=O)(=O)N3CCCC3)[C@@H]1C2 95373435 DFEWWKSSYYSMHS-GJZGRUSLSA-N 395.546 3.682 0 40 GHAB Cn1nc(-c2ccccc2Cl)cc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 79190952 QKAPSVNIWLLVGE-HNAYVOBHSA-N 386.927 3.735 0 40 GHAB biogenic O=C(Nc1ccc(N2CCCCC2)cn1)c1cc(N2CCNC2=O)ccc1Cl 95961522 XFPDZTVCATWHPX-UHFFFAOYSA-N 399.882 3.507 0 40 GHAB Cc1ccccc1/C=C/C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 9990807 FDZMECWNYTUVGP-VQHVLOKHSA-N 391.467 3.901 0 40 GHAB Cc1csc2nc(CN[C@H](c3ccc4c(c3)OCCCO4)C(C)C)cc(=O)n12 9994367 DMOLNVRFKMJOIU-FQEVSTJZSA-N 399.516 3.713 0 40 GHAB Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc2nc(C)c(C)nc2c1 89589215 DUMSGVQHDNNJHW-UHFFFAOYSA-N 376.460 3.946 0 40 GHAB CC[C@@H](C(=O)Nc1nn2c(-c3ccc(OC)cc3)nnc2s1)c1ccccc1 20486462 LQKOIUJGBQQBFM-MRXNPFEDSA-N 393.472 3.994 0 40 GHAB CCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1 408584836 VSZGCGNEPXYTJW-UHFFFAOYSA-N 375.494 3.827 0 40 GHAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCc1ccc2c(c1)OCO2 32913935 KLXRAVISTOZTQY-UHFFFAOYSA-N 384.432 3.840 0 40 GHAB NC(=O)C[C@@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 512312286 CIYMQJRQZADMPW-YESZJQIVSA-N 376.378 3.542 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(C(=O)O)c1 217559588 ZEQKPSKBTRNEDO-KGLIPLIRSA-N 376.478 3.635 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)N(C)C3CCCCC3)C(=O)[C@@H]2C1 408675898 CENLOLOOTIPFRF-IEBWSBKVSA-N 380.488 3.937 0 40 GHAB CC(=O)Nc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 72378008 FPWUUVYMQHOCDN-HXUWFJFHSA-N 388.475 3.911 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1C 219727944 DPTHNZWCFPEZBB-SFHVURJKSA-N 388.533 3.582 0 40 GHAB NC(=O)c1sc2ccccc2c1[C@H]1CCN(CC(=O)Nc2ccc(F)cc2)C1 72352371 SYNGHOVJDLOOOP-ZDUSSCGKSA-N 397.475 3.567 0 40 GHAB O[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNC1CCCCC1 77262572 VMOFHNAKWBFBOR-JAXLGGSGSA-N 388.483 3.854 0 40 GHAB biogenic,in-vitro Cc1cccc(N2CCN(C(=O)c3cc4cccc(C)c4oc3=O)CC2)c1C 226035833 KPXHOSLAHAPWEX-UHFFFAOYSA-N 376.456 3.681 0 40 GHAB COc1cccc([C@]2(C)NC(=S)N(c3ccc(Br)cc3)N2)c1 225345170 ROUWGTRHPJKTED-MRXNPFEDSA-N 378.295 3.530 0 40 GHAB Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cc(Br)ccc1Cl 61691884 FFIZVOBHJADLNQ-UHFFFAOYSA-N 394.630 3.503 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(N(C)C)cc1 222795540 VTHXTYQVVYMRLX-SFTDATJTSA-N 391.544 3.931 0 40 GHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 223047347 YTOMGDMPSUOOSR-UXHICEINSA-N 396.516 3.533 0 40 GHAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 222912378 VGZLIOLXGZFGFN-LEWJYISDSA-N 391.544 3.955 0 40 GHAB COc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222775558 FLMXZQVCLBMVAS-SFHVURJKSA-N 396.531 3.878 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(C)cc1 222937334 LXDFYYAOLYSNLW-INIZCTEOSA-N 388.508 3.780 0 40 GHAB O=C(c1cnc(-c2ccc(F)cc2)nc1)N1CCN(c2cccc(Cl)c2)CC1 222616913 VTBMPNALSZHNKP-UHFFFAOYSA-N 396.853 3.899 0 40 GHAB F[C@@H]1CN(Cc2ccc3ccccc3n2)C[C@@H]1OCc1nc2ccccc2[nH]1 96112181 AWUQMQKSMBKQPQ-UTKZUKDTSA-N 376.435 3.850 0 40 GHAB biogenic,in-vitro CC(C)(C)OC(=O)N[C@@H]1CCCN([C@H](C(=O)O)c2ccc3ccccc3c2)C1 95627604 NYKMXWYQTZZMKF-MOPGFXCFSA-N 384.476 3.955 0 40 GHAB O=c1[nH]cccc1[C@@H]1SCC(O)=Nc2c1cnn2-c1ccc(Cl)cc1F 95478300 SQFVRWKPSJAKEK-HNNXBMFYSA-N 390.827 3.777 0 40 GHAB CC(=O)Nc1ccc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3cccc(F)c3)C2)cc1 247958503 UKWRYFQDPYCLDJ-CDNPAEQRSA-N 382.479 3.904 0 40 GHAB Cc1nc(-c2cc(F)ccc2C(=O)O)cc([C@@H]2CCCN2C(=O)C(C)(C)C)n1 257343028 ZRDBXZYNQPXMJW-SFHVURJKSA-N 385.439 3.999 0 40 GHAB Cc1ncncc1C(=O)N1CCC(C)(c2ncc(Cc3ccccc3F)o2)CC1 257232481 GLARVWNQGZDBIB-UHFFFAOYSA-N 394.450 3.697 0 40 GHAB O=S(=O)(NC[C@](O)(c1ccsc1)c1cccs1)c1cccc(Cl)c1 253394076 ABDPWQZDFYZYAQ-INIZCTEOSA-N 399.946 3.677 0 40 GHAB CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)N[C@]34CCC[C@H]3C4)cc2)c1 666134598 BDJVMJHQLMPNIY-XOBRGWDASA-N 386.473 3.947 0 40 GHAB O=C(O)c1ccc(CN2CC[C@H](O)[C@@H](C3CCCC3)C2)c(Br)c1 1616043981 CZGJMOKQIKMSAS-WBVHZDCISA-N 382.298 3.520 0 40 GHAB COc1ccccc1[C@H]1[C@H](C(=O)NC(C)C)SCC(=O)N1C1CCCCC1 952964779 OHCDKRKOHKXZND-VQTJNVASSA-N 390.549 3.538 0 40 GHAB CCc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1 8083434 UHUNWLJADGCEIU-LDADJPATSA-N 396.468 3.933 0 40 GHAB Cc1cc2c(=O)n(C)c(SCC(=O)Nc3cccc(Cl)c3C)nc2s1 5017100 GSXMRNLMVHBIET-UHFFFAOYSA-N 393.921 3.996 0 40 GHAB CCn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nc2ccccc21 5185318 QROVBEGLLLLLAN-IBGZPJMESA-N 381.501 3.748 0 40 GHAB Cc1cc(NC(=O)c2ccco2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 12442363 ZQJHJHCYHGOVSQ-UHFFFAOYSA-N 394.412 3.878 0 40 GHAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c1 14397215 QJSBMYDFHDQRFA-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)nc2O)cc1 16777040 FJGPZLPAGIHTDN-UHFFFAOYSA-N 386.864 3.937 0 40 GHAB CN(C)S(=O)(=O)c1cccc(CSc2ncc(-c3ccc(F)cc3)[nH]2)c1 19298282 TXRAOXBWZUCXMQ-UHFFFAOYSA-N 391.493 3.758 0 40 GHAB O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19374242 IBNFAZZBGXAOAF-JOCHJYFZSA-N 384.483 3.767 0 40 GHAB CC1(C)Cc2c(cnn2Cc2ccccc2Cl)[C@H](NC(=O)c2cnccn2)C1 19461711 QYWSUHZKVKTYAZ-QGZVFWFLSA-N 395.894 3.818 0 40 GHAB Cc1c(C(=O)N2CCC(O)(Cn3ccnc3C)CC2)oc2ccc(Cl)cc12 19565585 HCJRDAQPPIZRCM-UHFFFAOYSA-N 387.867 3.567 0 40 GHAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC(CCN(C)C)CC3)c2)n1 19666562 APELGCOGFIDLRT-UHFFFAOYSA-N 388.943 3.946 0 40 GHAB CCc1ccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 165284356 BNZMFKGKHVPRHJ-UHFFFAOYSA-N 382.485 3.807 0 40 GHAB C[C@H](NC(=O)N[C@H](C)c1ncc(Br)cn1)C1CCC(F)(F)CC1 654573447 FAONQMXBKQMQCU-VHSXEESVSA-N 391.260 3.813 0 40 GHAB O=C(NCC1(c2ccc(F)cc2Cl)CC1)N1CCC[C@@H](c2ncc[nH]2)C1 677996245 MXHXMXAUJRAJCI-CYBMUJFWSA-N 376.863 3.823 0 40 GHAB CCc1cccc2sc(N3CCN(c4nc(O)cc(C(F)F)n4)CC3)nc12 1888904370 IKNZWVBXFMRRIX-UHFFFAOYSA-N 391.447 3.619 0 40 GHAB COc1ccc2nccc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c2c1 1889139155 NKDCNHGXSIRGEZ-UHFFFAOYSA-N 389.446 3.718 0 40 GHAB Cc1cc(OC[C@]2(O)CCCN(C(=O)c3ccccn3)CC2)cc(C)c1Cl 2037912531 OAKXBWFLDKREGZ-NRFANRHFSA-N 388.895 3.788 0 40 GHAB COCCCNC(=O)CSc1nc(NC2CCCCC2)c2ccccc2n1 2948726 FFDGJSIJEXCUGY-UHFFFAOYSA-N 388.537 3.619 0 40 GHAB COc1ccc(Cl)cc1N1C[C@@H](c2nc(-c3cccs3)no2)CC1=O 12416208 IZVFDANILSZFGH-JTQLQIEISA-N 375.837 3.981 0 40 GHAB COc1cc([C@H]2CC(=O)Nc3nc(N)sc32)ccc1OCc1ccccc1 12419488 VMGVFGVQYFHLGC-CQSZACIVSA-N 381.457 3.787 0 40 GHAB CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1cccc(Cl)c1 49007657 PFXKVNDEBUEAPH-UHFFFAOYSA-N 386.864 3.747 0 40 GHAB Cc1noc(C)c1CC(=O)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 585532684 VSCDZHBJIHIPKS-UHFFFAOYSA-N 397.397 3.565 0 40 GHAB O=S(=O)(c1ccc(Br)s1)N1CC[C@H](c2ccsc2)C1 667391820 UVVBFTWMILEEOW-VIFPVBQESA-N 378.338 3.750 0 40 GHAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc2ccccc2oc1=O 4162657 FOGYDKVDVXIMDH-UHFFFAOYSA-N 377.352 3.968 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1ccc(Cl)cc1 5255099 OPMZMSHGIUPKEL-UHFFFAOYSA-N 398.846 3.950 0 40 GHAB CSc1nc2n(n1)[C@H](c1cccs1)[C@H](C(=O)Nc1ccccc1)[C@@H](C)N2 11694943 YGZONMMUUAUSDW-KCPJHIHWSA-N 385.518 3.720 0 40 GHAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1cccc(C[S@](C)=O)c1 36392171 XWHOJLBYICDVBV-XDBZFTIUSA-N 398.572 3.870 0 40 GHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCc3noc(-c4cccs4)n3)c12 40066775 IVHHUOIQOHGTRF-UHFFFAOYSA-N 395.444 3.623 0 40 GHAB CCN1CCN(Cc2ccc(CNC(=O)C[C@@H](C)c3ccccc3)cc2)CC1 40115646 XVPHGNOLEICKIB-HXUWFJFHSA-N 379.548 3.634 0 40 GHAB COc1ccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@]2(O)C(F)(F)F)cc1 910722 DTJWBVPCHPOOAB-SFHVURJKSA-N 378.350 3.505 0 40 GHAB O=C(CCc1ccccc1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc(F)cc1 1024401 RVJTVLXKTBDSHK-SFHVURJKSA-N 380.341 3.754 0 40 GHAB Cc1ccc(C(=O)COC(=O)c2cccc(I)c2)cc1C 3225146 NIFHMIAWXAOFFN-UHFFFAOYSA-N 394.208 3.948 0 40 GHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCCCC2)C12CCCCC2 20732197 ISGSGDPOKBXTRP-HXUWFJFHSA-N 384.520 3.588 0 40 GHAB O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1cccc(Cl)c1 6886753 WULNUAHOYBSRJX-WJDWOHSUSA-N 386.860 3.806 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1C 7683731 OPOKDMISJPTXAU-SFHVURJKSA-N 392.908 3.749 0 40 GHAB COc1cc(CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)ccc1OC(F)F 10082150 VCDROYGWCVXIAQ-UHFFFAOYSA-N 391.349 3.756 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCc2ccccc21)c1ccccc1 32843519 CYTIHFBOGOEXID-XZOQPEGZSA-N 384.479 3.831 0 40 GHAB O=C(CSc1nnc(NCc2ccccc2)s1)NCCCc1ccccc1 2639232 UYRPHKAOGXRCQP-UHFFFAOYSA-N 398.557 3.991 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)no1 701856 URLVMOUSXYSLKY-UHFFFAOYSA-N 391.836 3.690 0 40 GHAB CCn1cc(Cl)c(-c2nnc(S)n2-c2cnn(Cc3ccc(C)cc3)c2)n1 2809493 QMPGREYGRIEFBV-UHFFFAOYSA-N 399.911 3.646 0 40 GHAB CCOc1ncccc1CNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 23101882 AWCUPDFLONLPGQ-UHFFFAOYSA-N 395.459 3.523 0 40 GHAB CN(C)[C@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)c1cccc(F)c1 23114138 IBXZMYTWTJEEFR-JOCHJYFZSA-N 393.462 3.832 0 40 GHAB COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccc1C(F)(F)F 1066169 KOTIEURILWQMQP-UHFFFAOYSA-N 383.366 3.628 0 40 GHAB COc1ccc(CCn2c(C)cs/c2=N\C(=O)c2ccccc2)cc1OC 101483515 POYUHKIBZIPSOJ-DQRAZIAOSA-N 382.485 3.859 0 40 GHAB Cc1ccc(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 24335396 XUKDGBWNIFNMKL-UHFFFAOYSA-N 396.878 3.656 0 40 GHAB CCCCOc1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c1 8564472 YSOLUGXZIWWSCJ-UHFFFAOYSA-N 395.503 3.505 0 40 GHAB COC(=O)c1ccc(CCNC(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 58072999 HIFPBQOGFAVGPR-UHFFFAOYSA-N 379.416 3.856 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(ccn3CCOC)c2)c1C 58214519 FCCLAEJMYWSKPH-UHFFFAOYSA-N 383.448 3.662 0 40 GHAB Nn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1 409166904 GNIYFNJEESXMAU-UHFFFAOYSA-N 375.457 3.543 0 40 GHAB COC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 12793354 YSKWANWEFLVJPD-UHFFFAOYSA-N 393.418 3.929 0 40 GHAB O=C(CCN1CCC[C@H]1c1ccsc1)Nc1ccc(N2CCOCC2)cc1 48250736 YKUWNRRMRACEMS-FQEVSTJZSA-N 385.533 3.750 0 40 GHAB Cc1nc(-c2cccc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)c2)cs1 8232745 GYZVIJFARIVSMU-UHFFFAOYSA-N 376.441 3.536 0 40 GHAB C[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc2c(c1)CCCC2 8268307 PJENBAZVYQDLGC-MRXNPFEDSA-N 378.472 3.558 0 40 GHAB O=C(Oc1ccccc1/C=c1\sc2nc3ccccc3n2c1=O)c1ccccc1 408718283 HIPYMRXUGGDMEV-ZHZULCJRSA-N 398.443 3.676 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)cc1 12871658 WERQOQKSNJYOAR-QGZVFWFLSA-N 396.306 3.984 0 40 GHAB Cc1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)n1Cc1ccccc1 3411276 DHJCFNFPGIYUSB-HXUWFJFHSA-N 392.528 3.921 0 40 GHAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12988573 MIQRDNLGSQUUPC-CYBMUJFWSA-N 398.834 3.502 0 40 GHAB O=C(COC(=O)c1ccccc1Br)NCc1ccccc1Cl 3506963 OUDYHLWNWXZCME-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB CCOc1ccccc1-c1nn2c([C@H]3COc4ccccc4O3)nnc2s1 4384043 NXKZHSYRZJGGCH-MRXNPFEDSA-N 380.429 3.764 0 40 GHAB CCCCN(C)C(=O)c1nc(-c2ccnn2-c2ccc(C)cc2)n2ccncc12 306123422 AMTLQPYBGNHQMI-UHFFFAOYSA-N 388.475 3.763 0 40 GHAB Cn1c(-c2c(N)n(C[C@H]3CCCO3)c3nc4ccccc4nc23)nc2ccccc21 5207849 RNJYBEZPUUHSSS-CQSZACIVSA-N 398.470 3.899 0 40 GHAB O=C(CCCOc1ccc(Cl)cc1Cl)N1N=CC[C@]1(O)C(F)(F)F 5447071 CWSLLAKHWDPTDZ-ZDUSSCGKSA-N 385.169 3.621 0 40 GHAB O=C(c1cccc2c1OCCO2)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66708236 VOVOIRQTXUPHEL-QGZVFWFLSA-N 394.254 3.978 0 40 GHAB Cc1ccc(-n2c(S[C@@H](C)C(=O)NC3CC3)nc3ccccc3c2=O)cc1C 5993441 RKGXIUGWQJUHEG-HNNXBMFYSA-N 393.512 3.762 0 40 GHAB CC(C)[C@@H](C(=O)Nc1nc2ccccc2s1)N1C(=O)c2ccccc2C1=O 9090016 FTMARFWGXQDUOO-INIZCTEOSA-N 379.441 3.556 0 40 GHAB CCCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n[nH]c1=O 9255327 KFCPYVHBINUNFZ-CQSZACIVSA-N 382.489 3.768 0 40 GHAB Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n(-c2ccccn2)n1 9421808 HZNGFTSZPBTLBY-UHFFFAOYSA-N 383.260 3.683 0 40 GHAB Cc1nn(C)c(C)c1CCNC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 84012187 INCLITQCXHTHKO-CQSZACIVSA-N 376.504 3.682 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)Nc1c[nH]ccc1=O 84014170 VVNYVOKATHHACW-BQYQJAHWSA-N 382.851 3.542 0 40 GHAB O=C(CN1CCCC1=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl 95350733 FWHODZMRCBYNMW-UHFFFAOYSA-N 380.231 3.742 0 40 GHAB CCC[C@@H](NC(=O)CNC(=O)OCc1ccccc1)c1ccc(F)cc1F 84740440 NFWPIKVNZURSLT-GOSISDBHSA-N 376.403 3.849 0 40 GHAB CC[C@H](Oc1ccccc1F)C(=O)NCCCc1ccc(OC)c(OC)c1 175445101 RQEAGIKRFYXHCC-KRWDZBQOSA-N 375.440 3.749 0 40 GHAB O=C1C[C@@H](Sc2nc3ccccc3s2)C(=O)N1c1ccc(F)c(F)c1 20634696 AEGVZGRMBDEYPN-CQSZACIVSA-N 376.409 3.999 0 40 GHAB Cc1ccc(-n2nc(C(N)=O)nc2-c2ccc(Br)cc2)cc1Cl 408693574 AIAHNPLKVQCADA-UHFFFAOYSA-N 391.656 3.758 0 40 GHAB Clc1cc(Cc2nc([C@H]3CCOc4ccccc43)no2)cc2c1OCCO2 546399591 HPHYGERKXSQJPT-AWEZNQCLSA-N 384.819 3.999 0 40 GHAB COC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38835120 SZSLRPJJTNNHTJ-KRWDZBQOSA-N 386.879 3.977 0 40 GHAB CC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)o2)cc1 35597443 FYIIJULQTODAGS-UHFFFAOYSA-N 388.445 3.727 0 40 GHAB CCc1noc(-c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)n1 33012802 YJEHEFHPOYVLFK-UHFFFAOYSA-N 383.404 3.577 0 40 GHAB CC[C@@H](C)Nc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)O 217585010 QJPZFEFGDWNZHL-CQSZACIVSA-N 380.510 3.764 0 40 GHAB CC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)OCC(=O)C(C)(C)C 32954653 SOLZVELIBAOIAP-OAQYLSRUSA-N 383.488 3.682 0 40 GHAB CCN(C(C)=O)c1nc(CSc2nnc(-c3ccco3)n2CC)cs1 36826410 JTWJSKNRBATDSI-UHFFFAOYSA-N 377.495 3.680 0 40 GHAB CC1CCN(Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)CC1 38836085 ZJQAZGPIEQEGHC-UHFFFAOYSA-N 377.532 3.881 0 40 GHAB Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCN(C(=O)c3coc(C)n3)C2)n1 72384498 XBYKGYBSFVDTJC-AWEZNQCLSA-N 382.395 3.643 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=S)Nc1cccc(C(=O)OC)c1C 225582219 WEEUCHCECHLNQC-INIZCTEOSA-N 377.554 3.723 0 40 GHAB O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)N1CCCCC1 44903676 JWJMYKDVBDHSRI-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB O=C(NCc1ccncc1)c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1 49545938 ARSIWGXBBFNMQB-UHFFFAOYSA-N 395.825 3.781 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCC(C)C)cc2)cc1 224425688 TWZGRQNISCHWGX-UHFFFAOYSA-N 388.533 3.592 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1Cl 223631060 UFJFCHVTJAFGSE-UHFFFAOYSA-N 381.866 3.668 0 40 GHAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc2ccccc12 225877541 GLBIGWIFQPWSRQ-HNNXBMFYSA-N 398.484 3.642 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(CC)cc1 222976607 IGYQLPBGKBIUHU-KRWDZBQOSA-N 384.495 3.874 0 40 GHAB COc1cccc(-c2noc(Cc3nnc(-c4ccc(F)cc4)o3)n2)c1OC 49405265 CFGDGBAZWHOVEL-UHFFFAOYSA-N 382.351 3.534 0 40 GHAB COc1ccccc1N(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(N)cc1 225312591 KEERJFASWREDFZ-UHFFFAOYSA-N 382.485 3.981 0 40 GHAB O=C(O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cccs1 225133263 YIQMSELDEFMRMN-UHFFFAOYSA-N 399.799 3.700 0 40 GHAB COc1ccc2ccccc2c1CNC(=O)N1CC2(CCOCC2)[C@H]1C1CC1 577465709 CQYOJVQPTJIHFE-OAQYLSRUSA-N 380.488 3.949 0 40 GHAB Cc1nc(-c2cccc(NC(=O)N[C@@H]3CCO[C@@H](c4nccn4C)C3)c2)oc1C 578154620 IUZDUVZUQBYOFP-QZTJIDSGSA-N 395.463 3.734 0 40 GHAB CCS(=O)(=O)[C@@](C)(Br)[C@H](O)c1ccc(Cl)cc1Cl 96521411 PNUUCKDUJWXICH-GHMZBOCLSA-N 376.099 3.573 0 40 GHAB O=C(NCCC1(O)CCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 585081374 OQENNDITFITDPO-UHFFFAOYSA-N 394.302 3.703 0 40 GHAB C[C@H]1CCCN(c2cc(C(=O)N3CCCC[C@H]3CCN3CCCC3)ccn2)C1 253603248 CHOLBNBCTWXMEK-FPOVZHCZSA-N 384.568 3.799 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCO[C@@H](c2cccc(Cc3ccccc3)n2)C1 257303566 SHSDYARUXXYWEH-HSZRJFAPSA-N 390.458 3.954 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(F)cc2)[C@@H]1c1ccccc1F 257268053 MKACRZVXFNNKOE-NQIIRXRSSA-N 386.442 3.923 0 40 GHAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(O)c(OC)c3)N21 260763021 IALOODGXRPQBSF-XWIAVFTESA-N 385.489 3.784 0 40 GHAB COc1ccc2ccccc2c1CNC(=O)Nc1cnn(C2CCN(C)CC2)c1 636531652 KORZNSONFSHSIC-UHFFFAOYSA-N 393.491 3.633 0 40 GHAB C[C@@H]1CCc2c(sc3ncnc(N4CCC(N5CCCCC5=O)CC4)c23)C1 675638100 TZEVZBCFLXFANE-CQSZACIVSA-N 384.549 3.797 0 40 GHAB CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CC=C(c4ccccc4)C3)cc21 1211241131 DQVVKZXCYMTGRX-MRXNPFEDSA-N 396.512 3.635 0 40 GHAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@H](c2cccs2)C1 825705075 IMWBVGHCCYVZKF-NSHDSACASA-N 377.409 3.825 0 40 GHAB O=C1[C@H](NCc2ccc(-n3cccn3)cc2)CCCN1c1ccccc1Cl 97009640 DYIGSKYEHSITAR-LJQANCHMSA-N 380.879 3.811 0 40 GHAB CCO/C(C)=C/c1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)O 3031134 ODOAWYMTCLJHMF-PKNBQFBNSA-O 376.907 3.517 0 40 GHAB CCCCOc1ccc(-c2nc3s/c(=C/c4cccs4)c(=O)n3n2)cc1 5849164 VNTHPNIGAPAXFN-FOWTUZBSSA-N 383.498 3.606 0 40 GHAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)on1 12118381 IAJHRWIYWGNJPE-CQSZACIVSA-N 381.411 3.991 0 40 GHAB CN(Cc1cc(O)nc2ccccc12)C(=O)c1cnn(-c2ccc(F)cc2)c1 12206271 ZRDHRSAMYMYMBW-UHFFFAOYSA-N 376.391 3.537 0 40 GHAB Cc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3ccccn3)CC2)cc1 12223134 WVCPJLATCRJXTD-DEOSSOPVSA-N 391.490 3.933 0 40 GHAB COc1ccc(Br)cc1CN(C)CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 12818995 LEDCYKNYWBNCCU-KEYYUXOJSA-N 397.357 3.830 0 40 GHAB O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Cl 13108777 XTZXLBNOFAKMDA-XCHVBMRISA-N 396.874 3.526 0 40 GHAB CCC(CC)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 15615470 PPZWJHWSONXYIU-UHFFFAOYSA-N 390.505 3.723 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)NCCOc2ccc(C(C)(C)C)cc2)cc1 16695386 DKHVRXDMLXDFDN-QGZVFWFLSA-N 384.520 3.666 0 40 GHAB CCOc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1OC 19533861 ZLRUIFLWONTSRR-HXUWFJFHSA-N 396.535 3.599 0 40 GHAB CCn1c(C)nc2cc(NC(=O)C[C@@H](c3ccccc3)N3CCOCC3)ccc21 19656396 PAEYYUUVZSDBPI-QFIPXVFZSA-N 392.503 3.767 0 40 GHAB COc1ccc2c(c1)C=C(CNc1cccc([C@@H]3CCc4nncn4C3)c1)CO2 19699086 GEQWCRVQXXTPJM-GOSISDBHSA-N 388.471 3.905 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC(CC(=O)N[C@@H](C)c3ccccc3)CC2)s1 19748630 TYZZFOVIHNSWCP-AWEZNQCLSA-N 385.533 3.880 0 40 GHAB COc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)c(OC)c1 1516115 DMQYWXJBHMRAES-DHDCSXOGSA-N 388.217 3.811 0 40 GHAB CCOc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)o2)cc1 8477503 NTRWYVKLJANHNH-QGOAFFKASA-N 394.427 3.750 0 40 GHAB COc1ccc(OC)c(C(=O)N2CC[C@H](c3ccccc3)[C@H]3NCCCC[C@H]32)c1 19551082 STKBMJLBTGPLBO-KJXAQDMKSA-N 394.515 3.844 0 40 GHAB CC[C@H](C)c1ccc(NC(=O)[C@@H](C)Sc2nnc(C(C)(C)C)n2N)cc1 21740739 UFMONRIALDDLEY-QWHCGFSZSA-N 375.542 3.922 0 40 GHAB O=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ccc(Br)s1 12680171 OBVLDXUQJNJDET-UHFFFAOYSA-N 396.671 3.694 0 40 GHAB Cc1c(NC(=O)c2cccc(I)c2)cccc1C(=O)O 20137921 QZACRXCEMLYKPJ-UHFFFAOYSA-N 381.169 3.550 0 40 GHAB O=C(c1ccnc(OCC2CCOCC2)c1)N1CCC(Cc2ccccc2)CC1 239611719 FBZQEGPPARVVBO-UHFFFAOYSA-N 394.515 3.982 0 40 GHAB Cc1ccc(N2C(=O)N(c3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 4393432 LSUZKQQZEAXSQJ-MSOLQXFVSA-N 390.892 3.569 0 40 GHAB O=C(CSc1ccc(-c2ccncc2)nn1)Nc1nc2ccccc2s1 4358163 PAZKTJLKIITYIY-UHFFFAOYSA-N 379.470 3.879 0 40 GHAB COc1cc2[nH]c(=S)nc(NCCCN3CCCCCC3)c2cc1OC 4918966 BOMFJAWKTDDTOP-UHFFFAOYSA-N 376.526 3.988 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c1 5269969 IFLBMRFQRBWKBO-UHFFFAOYSA-N 395.846 3.761 0 40 GHAB CCn1cc2nc(SCc3ccccc3)n(Cc3ccccc3)c(=O)c2n1 7006415 CODOWELZWPIZSU-UHFFFAOYSA-N 376.485 3.954 0 40 GHAB CN(C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccsc1 8896071 KEICJNYFDQRTPA-ZDUSSCGKSA-N 379.334 3.636 0 40 GHAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3C)ccc21 8962389 FJYWULWZAYTAAH-UHFFFAOYSA-N 378.881 3.748 0 40 GHAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)NCc1ccc2c(c1)OCO2 16840603 LIBNQEXVKBDKSG-UHFFFAOYSA-N 386.404 3.618 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1 4357817 ZJSJTBUFSPQUQN-UHFFFAOYSA-N 383.429 3.644 0 40 GHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)nc1O 25008707 KCUZQWLLHJCTFI-UHFFFAOYSA-N 378.272 3.797 0 40 GHAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N2CCCC2)cc1OC 8749440 JEFHLWBGSVAHNF-UHFFFAOYSA-N 377.444 3.793 0 40 GHAB CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1c(F)cccc1Cl 801774 YKCFKTXBSBEZRK-UHFFFAOYSA-N 385.786 3.886 0 40 GHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCC[C@H](C)C1 904824 CRENQRXRUDYXOR-HNNXBMFYSA-N 388.537 3.536 0 40 GHAB CC(=O)N[C@@H](C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C(C)C 29013268 AIZXNMVBODASNB-CQSZACIVSA-N 385.411 3.928 0 40 GHAB CC[C@H](C)c1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(OC)c2)cc1 2616349 CSTFMQDFWXRKGW-INIZCTEOSA-N 383.492 3.718 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1 3459039 QSBCNVMAXZBPQX-LBPRGKRZSA-N 387.436 3.854 0 40 GHAB COc1cccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)c1 3652443 NQOUXSHFNJUKFR-GOSISDBHSA-N 388.489 3.545 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3)n2C)c(C)c1 6203605 KLDVHFZUPFQVRR-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB CCOC(=O)c1c(C)oc2nc(CSc3cc(F)ccc3F)nc(N)c12 7247069 GXUZUDZHNBWPOV-UHFFFAOYSA-N 379.388 3.861 0 40 GHAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)[nH]2)cc1 7605365 WBQMTNNPXSCINT-UHFFFAOYSA-N 395.488 3.778 0 40 GHAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 32809590 QKALHUVRFLMWKS-CVEARBPZSA-N 378.350 3.875 0 40 GHAB COc1cc(N[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc(OC)c1OC 33040201 BCAQVLMVTJNDPO-KDOFPFPSSA-N 384.476 3.707 0 40 GHAB COc1cc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc(OC)c1OC 9888226 KZSKOIOYVRNLSH-UHFFFAOYSA-N 398.503 3.628 0 40 GHAB CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@H](c1ccc(OC)cc1)C2 9938759 RJUVQDUNGCKHDK-MRXNPFEDSA-N 391.475 3.632 0 40 GHAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 21904528 BJRQYMXSMVIXLG-IBGZPJMESA-N 375.472 3.827 0 40 GHAB Cc1ccc(C(=O)NC(=S)NCCc2ccccc2)cc1Br 676769 IXHISSLTEOAHBN-UHFFFAOYSA-N 377.307 3.605 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccccc3Cl)n2)o1 12050889 BOVUAJCPBRYWDT-UHFFFAOYSA-N 389.864 3.874 0 40 GHAB Cc1cnc(NC(=O)c2ccn(COc3ccc(Br)cc3)n2)s1 2787743 VLCUQIHQTGGPDK-UHFFFAOYSA-N 393.266 3.699 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)NCc2ccccc2CN2CCCC2)c1C 58160754 QNZUVWNYVVPSPM-QGZVFWFLSA-N 381.520 3.791 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 12137160 SIHJUNDSTIXFSM-INIZCTEOSA-N 378.428 3.924 0 40 GHAB CC[C@H](NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(C)cc1 12284532 ROGHNNQHLSGVAF-UNMCSNQZSA-N 393.531 3.913 0 40 GHAB Cc1noc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)n1 54659875 ZORLYCDHNUUHLJ-UHFFFAOYSA-N 383.458 3.781 0 40 GHAB C[C@@H](CCc1ccco1)NC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12321095 JFFLPMNJVUMQMU-FUHWJXTLSA-N 393.487 3.751 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)on2)cc1 12371024 AVWVIPZQTRRDAO-UHFFFAOYSA-N 377.400 3.729 0 40 GHAB Cc1cccc(Cc2cnc(NC(=O)CNC(=O)c3ccco3)s2)c1Cl 24776500 ZGVYZFOBNUPISV-UHFFFAOYSA-N 389.864 3.657 0 40 GHAB Cc1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102076827 WMWUOHCUGAOQAH-GLRKZIRRSA-N 399.446 3.772 0 40 GHAB C#CCOc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1OC 50547980 BHLGXGCPJSVPPL-PDGQHHTCSA-N 380.425 3.801 0 40 GHAB S=c1n(-c2ccccc2)cnn1CN1CCN(c2ccccc2Cl)CC1 12554222 BHPGNPWSHUVLNC-UHFFFAOYSA-N 385.924 3.836 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N[C@H]3CCCC[C@H]3C)o2)cc1 10045157 ZUQCESDBUOFYDX-AEFFLSMTSA-N 384.476 3.821 0 40 GHAB CC(C)c1nnc(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)s1 26571430 NOUGPNWXYZVAHD-UHFFFAOYSA-N 391.456 3.613 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cc(C)ccc2C)c(-c2ccc(F)cc2)n1 57508714 BJWNXLDGWIOJNG-UHFFFAOYSA-N 379.435 3.867 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)cc1 20767665 OHURDFOSMAWEHV-UHFFFAOYSA-N 399.472 3.582 0 40 GHAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O 44840098 FVDQNMROFBTNQM-MRXNPFEDSA-N 393.487 3.896 0 40 GHAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)OC(C)C)CC2=O)c1 27792532 BNDOBCYZLPBROF-KRWDZBQOSA-N 391.471 3.817 0 40 GHAB Cc1ccc2c(=O)cc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)oc2c1 27989511 CRXAVCSKPNVETI-HNNXBMFYSA-N 383.469 3.984 0 40 GHAB Cc1nc(CSCC(=O)NCc2cccc(OCc3ccccn3)c2)cs1 36392039 RUIONPPWCAGYBH-UHFFFAOYSA-N 399.541 3.975 0 40 GHAB CCC[C@@H](C)NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12610057 PFXYIYCQDSXHHF-GFCCVEGCSA-N 397.928 3.740 0 40 GHAB O=S(=O)(NCc1ccccc1Cn1cccn1)c1cccc(Cl)c1Cl 10959079 XGYAVXVGZNFNGR-UHFFFAOYSA-N 396.299 3.717 0 40 GHAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)OCCCO2 12756153 RSADDWSAWJTXCJ-LJQANCHMSA-N 383.448 3.633 0 40 GHAB O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCCN1C(=O)c1cccs1 48325519 UAUGETBWWAHUTN-ZDUSSCGKSA-N 375.519 3.717 0 40 GHAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)N[C@@H]1CCCc2ccccc21 3445632 VFYOUZLKQWUAGG-QGZVFWFLSA-N 379.790 3.969 0 40 GHAB COc1cc(NC(=O)c2cc(F)ccc2Br)cc(OC)c1OC 12914784 HHHYJABAZLRZLD-UHFFFAOYSA-N 384.201 3.866 0 40 GHAB COc1ccc(CNC(=O)c2csc(-c3ccc(F)cc3)n2)cc1C(=O)O 12992873 CTNULCXQWFWOGH-UHFFFAOYSA-N 386.404 3.586 0 40 GHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(NC(=O)C2CC2)cc1 12922790 LFSAMLOOSZBSJE-UHFFFAOYSA-N 391.475 3.599 0 40 GHAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 12992085 YOSBFVWCMXZRPM-LBPRGKRZSA-N 388.443 3.698 0 40 GHAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc(OC)c1 12943547 VFNYBYJWYBTEJY-FKIZTMCRSA-N 395.455 3.852 0 40 GHAB COc1ccc(Nc2nnc(SCC(=O)NCc3cccs3)s2)cc1 3580314 LQYCUFCCHRSBQQ-UHFFFAOYSA-N 392.531 3.760 0 40 GHAB CN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)[C@@H]1CCCc2ccccc21 8126321 NHLDTLUJQGWVBJ-LJQANCHMSA-N 377.488 3.760 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(C)nc2c1cnn2C(C)C 39536691 WIXCXMJOLUGXEC-UHFFFAOYSA-N 394.475 3.754 0 40 GHAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NCc3ccc(OC)cc3)n2)cc1 5179857 KYVWDUZPZPMSEK-CQSZACIVSA-N 396.516 3.840 0 40 GHAB COc1ccc(OCc2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1 4414497 VVDSUMIGLLVODJ-UHFFFAOYSA-N 381.461 3.506 0 40 GHAB COc1ccc(OCCSCc2nc(N)nc(Nc3ccccc3C)n2)cc1 6590650 SOPVNLDFINLVFV-UHFFFAOYSA-N 397.504 3.827 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccccc2C)C1=O 4607988 UNWRLBYRSODOBM-RFRKOGIWSA-N 384.457 3.774 0 40 GHAB COc1ccc(COC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1F 5572129 WGXRTLQQUPHTNW-UHFFFAOYSA-N 385.435 3.738 0 40 GHAB CCN1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)CC1 14523754 GTAUKKKROBQELB-UHFFFAOYSA-N 391.519 3.893 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 22795737 GIUFVXUIPBXMJD-UHFFFAOYSA-N 396.487 3.728 0 40 GHAB COc1ccccc1-c1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12 6781240 ZIVFDWNBOVELLF-UHFFFAOYSA-N 396.450 3.963 0 40 GHAB Cn1nnnc1SCCCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 4993858 MCGNNLFFEMTVCL-UHFFFAOYSA-N 381.864 3.535 0 40 GHAB C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N[C@H](C)c1ccccc1 5966359 JPNGYJJAORCCTF-CHWSQXEVSA-N 397.456 3.823 0 40 GHAB C[C@H](Nc1ccc(I)cc1)C(=O)N(C)Cc1ccccc1 7224992 PKWZTAHWQAMJHI-ZDUSSCGKSA-N 394.256 3.750 0 40 GHAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)C1(c2ccccc2)CC1 9689688 UUGYWSKUMZXMHS-UHFFFAOYSA-N 383.473 3.505 0 40 GHAB CC(C)[C@@H](C(=O)Nc1nc2ccccc2s1)n1cnc2ccccc2c1=O 8995983 VUHBZJDBTVIJMW-KRWDZBQOSA-N 378.457 3.842 0 40 GHAB COc1ccc(C(=O)Nc2cccnc2Oc2ccc3c(c2)OCO3)cc1OC 71279779 RRHMWLOMISSTTA-UHFFFAOYSA-N 394.383 3.872 0 40 GHAB O=C1NCCN(C(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1ccccc1Cl 96010179 OETBAFVJMIAGPD-QGZVFWFLSA-N 397.887 3.777 0 40 GHAB Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@H]2c1cccc(Cl)c1 9422117 NDZSYYQLOLNGKO-LJQANCHMSA-N 391.862 3.596 0 40 GHAB COc1ccc(-c2c(NC(C)=O)noc2-c2cc(OC)c3c(c2)OCO3)cc1 96336540 QTWYDDYJFGHXFE-UHFFFAOYSA-N 382.372 3.713 0 40 GHAB Cc1nn(CC(C)C)c2sc(C(=O)NCCc3ccc4c(c3)OCCO4)cc12 9512955 UAWOUPYONAEHMU-UHFFFAOYSA-N 399.516 3.806 0 40 GHAB Cc1cc(NC(=O)[C@H](C)[S@@](=O)Cc2csc(-c3ccc(F)cc3)n2)no1 71801136 OLSAUCJNTPMUFM-KPHLJTLVSA-N 393.465 3.522 0 40 GHAB O=C(c1cccs1)N1CC[C@]2(C1)Cn1c(-c3cccc(F)c3)cnc1CO2 306125580 CUPYLHDYHHZKAG-FQEVSTJZSA-N 383.448 3.566 0 40 GHAB COc1cc(C(=O)N2CCN(c3ccccc3C)CC2)nc2c(C)cc(F)cc12 72328804 QBOYDZNJYJNYPH-UHFFFAOYSA-N 393.462 3.962 0 40 GHAB CC(C)[C@H](NC(=O)C[C@@H]1OCCc2ccsc21)c1nc(-c2cccnc2)no1 95349306 IAQWWAIYXYAOSL-RDJZCZTQSA-N 398.488 3.711 0 40 GHAB CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)[C@H]1CCOC1 84795629 NCJYLIWPDHMONX-ZDUSSCGKSA-N 375.446 3.575 0 40 GHAB Cc1ccc2sc(CCNC(=O)c3ccccc3N(C)C(=O)C3CC3)nc2c1 79053782 WBMSHWLVJWCHMQ-UHFFFAOYSA-N 393.512 3.950 0 40 GHAB O=C(CCc1nc2ncc(Br)cc2[nH]1)Nc1cc(Cl)ccc1O 79476872 FDEVILDJUMSTEL-UHFFFAOYSA-N 395.644 3.651 0 40 GHAB Cc1nnc2sc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)nn12 20609591 BJPGTPDHGMDXBE-UHFFFAOYSA-N 383.864 3.996 0 40 GHAB Cc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)NCC(C)C 408584842 VUZLPQMXZBCYQV-UHFFFAOYSA-N 378.538 3.550 0 40 GHAB O=C(COC(=O)c1nccc2ccccc12)Nc1ccc(Br)cc1 64734220 BZEDGZWDANLZQF-UHFFFAOYSA-N 385.217 3.793 0 40 GHAB CCCSC1=NC(C)=C(C(=O)OCC)[C@H](c2ccc(OC)cc2OC)N1 408990985 PGXPWIIPTDQKIS-KRWDZBQOSA-N 378.494 3.684 0 40 GHAB CSCC[C@H](C(=O)Nc1ccc2c(c1)ncn2CCCN(C)C)n1cccc1 409414430 QPWQGUWSLATNPU-HXUWFJFHSA-N 399.564 3.722 0 40 GHAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 513549784 YNOSQBZTOLXDEW-JOCHJYFZSA-N 390.491 3.946 0 40 GHAB O=C(Nc1cccnc1-n1cc(Cl)cn1)c1cccc(Br)c1 72403376 ISBMATCZEOVGLZ-UHFFFAOYSA-N 377.629 3.936 0 40 GHAB CN(C(=O)Cn1cc(C(N)=O)c2ccccc21)[C@H]1CCCC[C@@H]1c1ccccc1 1528612565 SJFDPFVRCJIGHV-NQIIRXRSSA-N 389.499 3.925 0 40 GHAB CC(C)c1n[nH]c(-c2nn3c(-c4ccccn4)nnc3s2)c1Br 72403581 JOQPIFOQNHUCHA-UHFFFAOYSA-N 390.270 3.524 0 40 GHAB CCOc1ccccc1NC(=O)CSCc1cc(=O)c2cccc(F)c2[nH]1 33064193 XREHIRIOLVMSPS-UHFFFAOYSA-N 386.448 3.938 0 40 GHAB Cn1nc(-c2ccccc2Cl)cc1C(=O)N1CCO[C@@H](c2ccccc2)C1 79483652 SDCHFULETGGGBK-HXUWFJFHSA-N 381.863 3.954 0 40 GHAB O=C(Nc1cccc(OCCN2CCOCC2)c1)c1csc2ccccc12 72392185 SHOOBPSDOAQTPJ-UHFFFAOYSA-N 382.485 3.865 0 40 GHAB COC(=O)c1cc(Br)c2cnn(C(=O)OCc3ccccc3)c2c1 2362803232 RSKMTEJDDDTLME-UHFFFAOYSA-N 389.205 3.770 0 40 GHAB CCc1nnsc1C(=O)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 72375540 JLYWWEQINHZSRO-ZDUSSCGKSA-N 386.506 3.673 0 40 GHAB COc1cccc(-c2c3c(=O)n(C4CCCCC4)ccc3nc3ncnn23)c1 40398231 KXVLRBMKIORXQX-UHFFFAOYSA-N 375.432 3.620 0 40 GHAB COc1ccc(Cl)cc1[C@H](O)CNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 529454546 RQSDJBNEQRANNG-SOLBZPMBSA-N 377.843 3.831 0 40 GHAB COc1ccc(S(=O)(=O)NCc2ccnc(-c3cccs3)c2)cc1Cl 225653177 YYMSKQRXQKXQLO-UHFFFAOYSA-N 394.905 3.951 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1 225424340 ZDIABFFXHSRAJU-UXHICEINSA-N 380.532 3.994 0 40 GHAB Cc1ccccc1CN(C(=O)COc1ccccc1)[C@H](C)C(=O)NC1CCCC1 223756669 PEVKECKBHTVFNT-LJQANCHMSA-N 394.515 3.850 0 40 GHAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCC1=CCCCC1 223823708 CMXQRDZFYBOFIP-UHFFFAOYSA-N 398.528 3.883 0 40 GHAB CN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 224074841 XGFKDQTWSKJNDY-UHFFFAOYSA-N 386.498 3.821 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)c(C)c1 224109530 ZTELSRSOOWXJGZ-HXUWFJFHSA-N 396.531 3.872 0 40 GHAB Cc1cc(N2CCc3ccccc3C2)nc(NC(=S)NCc2ccccc2)n1 225929105 UDVLKIWNPOQGRJ-UHFFFAOYSA-N 389.528 3.834 0 40 GHAB Cc1ccc2nc(C[C@H]3CN(C(=O)CC(C)(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 514288893 LFBRIWQLMCWVEI-HOTGVXAUSA-N 385.508 3.789 0 40 GHAB biogenic,in-vitro Cc1cc(N2CCc3ccccc3C2)nc(NC(=S)NC2CCCCC2)n1 226009168 ASPCWYWEHLDBSI-UHFFFAOYSA-N 381.549 3.967 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N(C)c3ccc(C)c(C)c3)ccc21 225866299 YSXCBHROQCBJKQ-UHFFFAOYSA-N 399.516 3.917 0 40 GHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 223492359 RWYJSYMSBQTXEV-JOCHJYFZSA-N 396.531 3.785 0 40 GHAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2O1 222946408 IZOSAJWIZJMOTG-OAQYLSRUSA-N 390.414 3.550 0 40 GHAB COc1ccc(-n2nnc(C(=O)N(Cc3ccccc3)c3ccccc3)n2)cc1 77100307 JOJSBGMJILPSRT-UHFFFAOYSA-N 385.427 3.518 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@@H](NCCCn2cccn2)C1 583652247 LIAFLPXVYOLYIV-PMACEKPBSA-N 384.524 3.656 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@@H](Cc2cc(-c3c(C)noc3C)ncn2)C1 257246441 IUDKNWZRUHZQEU-HNNXBMFYSA-N 397.504 3.608 0 40 GHAB Cn1ncc(NC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)c1-c1ccccc1 654083795 WSHLERMEEKRVTN-UKRRQHHQSA-N 382.386 3.709 0 40 GHAB O=C1CCCN1C[C@@H](N[C@@H]1COC2(CCC2)C1)c1cccc(C(F)(F)F)c1 657838343 RTARNBFDVHHKGU-DLBZAZTESA-N 382.426 3.670 0 40 GHAB Cc1ccn2cc(C(=O)N3CCc4c(F)cc(Br)cc4C3)nc2c1 675235971 AZWOHDYVSQFGMB-UHFFFAOYSA-N 388.240 3.743 0 40 GHAB O=C(N[C@H]1CCCN(Cc2cc3n(n2)CCCC3)C1)c1ccc2ccccc2c1 649563133 CNEXFBJOLPJFRY-NRFANRHFSA-N 388.515 3.767 0 40 GHAB CNC(=O)CCOc1ccc(NC(=O)N2CCc3ccccc3C(C)(C)C2)cc1 666010762 FEPGMSXZNFSQMS-UHFFFAOYSA-N 395.503 3.569 0 40 GHAB O=C(c1ccsc1)N1CCC2(CCCN(Cc3cccc(F)c3)C2=O)CC1 585102536 JJCZAUMZWCBQFL-UHFFFAOYSA-N 386.492 3.932 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1ccnn1C)N(C(=O)CCC1CCCC1)CC2 72342733 KURBBGQSRJRWJS-HSZRJFAPSA-N 397.519 3.882 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(Cc3cscn3)C2)on1 72342920 FLIYJEZRMXXMSU-OAHLLOKOSA-N 394.504 3.837 0 40 GHAB CCSC[C@H](C)N(C)Cc1nnc(C(=O)Nc2ccc(CC)cc2)s1 72305353 XWTGBGTWADIQHZ-ZDUSSCGKSA-N 378.567 3.926 0 40 GHAB Cc1ccsc1CCC(=O)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96370762 AMKKGQZXZNKUPN-MRXNPFEDSA-N 397.949 3.717 0 40 GHAB O=C(c1nccc2ccccc12)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775968536 QCSBLDAMWPKQLX-UHFFFAOYSA-N 388.471 3.833 0 40 GHAB CCOCc1nnc(NC(=O)c2cccc(-n3nc(C)c(Cl)c3C)c2)s1 12202188 QVGNFRAYQOZYFH-UHFFFAOYSA-N 391.884 3.783 0 40 GHAB COc1ccc(CCC(=O)N[C@H]2CCCc3nc(N4CCCCC4)ncc32)cc1 12328546 KXSHZOKKVDJEEJ-FQEVSTJZSA-N 394.519 3.602 0 40 GHAB COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)cc1 12484812 XEYSVQGNFDVTJO-KRWDZBQOSA-N 389.814 3.754 0 40 GHAB COC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1C 12552470 RPLYVTGIJSTEIQ-UHFFFAOYSA-N 375.428 3.708 0 40 GHAB COc1ccc(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 15519620 BWUGDIHZGWWZMI-OAHLLOKOSA-N 397.500 3.612 0 40 GHAB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1Cl 18051869 QDZUNNIQWGUVGB-UHFFFAOYSA-N 391.807 3.564 0 40 GHAB O=c1cc([C@@H]2CCCCN2Cc2cccc(F)c2F)nc(-c2ccncc2)[nH]1 19292740 LZNBSQGJWLHTKZ-SFHVURJKSA-N 382.414 3.837 0 40 GHAB O=C(Nc1nc(-c2ccccc2F)cs1)c1cnc(N2CCCCC2)nc1 19368441 AEIKWHMDCVNXJA-UHFFFAOYSA-N 383.452 3.982 0 40 GHAB CCOCCCNc1c2c(nc3cc(-c4ccc(OC)c(OC)c4)nn13)CCC2 19531036 BQBCMLTZPNOWCJ-UHFFFAOYSA-N 396.491 3.741 0 40 GHAB COc1cccc([C@@H]2CN(Cc3ccccc3F)[C@@H]3CCCCC(=O)N[C@@H]23)c1 19712850 FDGONMUJYVTGML-WPYKKVEZSA-N 382.479 3.861 0 40 GHAB CCc1cccc2c(=O)c(CN3CCN(Cc4ccccc4)CC3)c(C)[nH]c12 19793178 RHNQXSPSXYNKGZ-UHFFFAOYSA-N 375.516 3.717 0 40 GHAB O=c1oc2ccccc2c(N2CCN(C3CCCCC3)CC2)c1CN1CCCC1 16525258 CIHWTPINWZQJTK-UHFFFAOYSA-N 395.547 3.844 0 40 GHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(Br)ccc1Cl 3414193 BTZVGICZQTUIET-UHFFFAOYSA-N 399.647 3.952 0 40 GHAB CCCCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 12526019 NPQOPQWBRXLGGL-UHFFFAOYSA-N 382.432 3.638 0 40 GHAB COc1cccc(C(=O)NC[C@H](O)c2ccc(-c3ccsc3)s2)c1OC 1888970055 VZAYUNKCCKXBHI-AWEZNQCLSA-N 389.498 3.957 0 40 GHAB COc1ccc(-c2csc(CCN3CCCC3=O)n2)cc1Br 30447833 KBSQGGUIXHWHKV-UHFFFAOYSA-N 381.295 3.746 0 40 GHAB O=C(CCc1ccccc1F)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909267 KHLVQJDXGNLMJI-JOCHJYFZSA-N 389.442 3.720 0 40 GHAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(Cc4sccc4C)C3)C2)cc1 1204020406 ZZTVCGXJAMXMJX-NRFANRHFSA-N 399.516 3.815 0 40 GHAB CO[C@@H]1CCN(C2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)C1 1565523299 LFYPZDCHLJEMOI-JOCHJYFZSA-N 393.531 3.671 0 40 GHAB CC(C)N(Cc1ccccc1)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 5154104 ZOIJVFKEIWSGEY-UHFFFAOYSA-N 398.528 3.511 0 40 GHAB O=C(c1cc2cccnc2n(Cc2ccccc2)c1=O)N1CCc2ccccc2C1 5304242 APBSZJSIXZOUFI-UHFFFAOYSA-N 395.462 3.643 0 40 GHAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc2c(c1)OCCO2 12232651 HEPAPPSHGIXFDF-UHFFFAOYSA-N 380.425 3.538 0 40 GHAB COc1ccc(C)cc1NC(=O)Cc1cc(-c2ccc(OC)c(OC)c2)on1 12868364 VVEWGOKKYOOWDS-UHFFFAOYSA-N 382.416 3.857 0 40 GHAB CCN1CCOc2ccc(NC(=O)c3cccc(Br)c3)cc2C1=O 9828130 ZJISICSYXYCVKI-UHFFFAOYSA-N 389.249 3.556 0 40 GHAB O=C(NCc1cccnc1OC1CCCC1)Nc1cccnc1N1CCCC1 40121045 SWMKPYPQSIUBCG-UHFFFAOYSA-N 381.480 3.720 0 40 GHAB COc1ccc(Br)cc1CNCc1ccc(N2CCCC2)nc1 30900198 WFUMRGUPIILJIG-UHFFFAOYSA-N 376.298 3.743 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)c(Cl)c1 31470014 HFSLWFMSZQQXSE-NRFANRHFSA-N 397.862 3.586 0 40 GHAB C[C@@H](NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1 100759493 YOYVKUKPZQPAAZ-YCPHGPKFSA-N 387.936 3.557 0 40 GHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2nc(SC)ncc2Cl)cc1 11574004 VZAZDWNVMOWESX-JTQLQIEISA-N 380.853 3.679 0 40 GHAB O=C(Nc1nc(CC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cs1)c1ccccc1 29122402 RBRJBOKYJRDQDD-DOTOQJQBSA-N 383.517 3.977 0 40 GHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCSCc1ccccc1F 7638236 LDVIWQXUGOEIFW-KRWDZBQOSA-N 390.505 3.678 0 40 GHAB CC1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)CC1 918089 XQYFIIMPJKSLRA-UHFFFAOYSA-N 378.354 3.880 0 40 GHAB O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@@H](c2cccnc2)O1 1027090 AOYAKMISEMNJLY-IFMALSPDSA-N 376.412 3.632 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2C[C@H]2CCCO2)c1C 1364619 ICXSNKCINLXMEV-MRXNPFEDSA-N 386.521 3.682 0 40 GHAB CCOC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1 2044660 FUWCCRRLLMKJGO-HNNXBMFYSA-N 388.416 3.526 0 40 GHAB CC(=O)N1CCc2ccccc2[C@@H]1c1c(O)[nH]c(=S)n(C2CCCCC2)c1=O 101011196 WVFZBINHBHCSMF-GOSISDBHSA-N 399.516 3.611 0 40 GHAB O=C(Cn1nnc(-c2ccccc2)n1)N(Cc1ccccc1)Cc1ccccc1 4549395 YOOLETGJMLJNSJ-UHFFFAOYSA-N 383.455 3.569 0 40 GHAB O=C(NCCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CCCC1 32994583 DCABGWALOYVDFY-NRFANRHFSA-N 382.529 3.919 0 40 GHAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1ccc(Br)cn1 28234188 RETYQKVRLYMQFW-QMMMGPOBSA-N 377.164 3.568 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1 7801222 JSPIMDXNTQASKY-UHFFFAOYSA-N 394.471 3.581 0 40 GHAB Cc1ccc(C2=NN(C(=O)COc3ccccc3C)[C@](O)(C(F)(F)F)C2)cc1 27570375 PFFPWBLVRGTKAL-LJQANCHMSA-N 392.377 3.570 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccs1 671174 PKGPOASHSQGTDO-UHFFFAOYSA-N 376.434 3.940 0 40 GHAB O=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 53943988 YILPOCGOXYSHOR-UHFFFAOYSA-N 395.484 3.526 0 40 GHAB COc1ccc(Cc2nnc(NC(=O)[C@H](C)Oc3ccccc3)s2)cc1OC 804739 IKIXDPMCBXQJTQ-ZDUSSCGKSA-N 399.472 3.552 0 40 GHAB COc1cc([C@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1O 59459459 IMFROXBWVYYJSH-OAHLLOKOSA-N 385.470 3.837 0 40 GHAB COc1cc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1NC(=O)OC(C)(C)C 47560312 RQLWCRLGKGYBDZ-STQMWFEESA-N 379.457 3.683 0 40 GHAB Cc1cc2ncn(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2cc1C 23385369 SBFWFFPZEMVEJL-UHFFFAOYSA-N 389.425 3.847 0 40 GHAB O=P(CN1CCN(c2ccccc2)CC1)(N1CCCCC1)N1CCCCC1 57638095 SPNPUDLFYRXQNC-UHFFFAOYSA-N 390.512 3.931 0 40 GHAB c1ccc(-n2nnnc2CN2CCc3sccc3[C@H]2c2cccs2)cc1 23968548 ZFELHFQAGKHTDR-IBGZPJMESA-N 379.514 3.933 0 40 GHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCCc1cccs1)CC3 25451396 OHVLSLPIRDSXGV-UHFFFAOYSA-N 382.485 3.924 0 40 GHAB O=C([C@@H](c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCCC1 12578487 PCWMSKBMADUVAS-NFBKMPQASA-N 392.499 3.958 0 40 GHAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)Nc1ccc2c(c1)CCC2 57508048 WTAHGUVFCJEKMG-UHFFFAOYSA-N 375.453 3.739 0 40 GHAB CC(C)n1c(S)nnc1CCNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 109057317 YGAZKRODOCGIOH-ODNNXGBQSA-N 376.570 3.803 0 40 GHAB Cc1nc(-c2ccc(CNC(=O)c3ccc4c(c3)NC(=O)CS4)o2)cs1 12618731 YMEPZOQKCHBRMH-UHFFFAOYSA-N 385.470 3.686 0 40 GHAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C(=O)OC)cc1)C3 2117205 SJQIRMYKUGBFRX-UHFFFAOYSA-N 379.412 3.889 0 40 GHAB biogenic COc1ccc([C@H](CNC(=O)COc2ccccc2C)N2CCCCC2)cc1 27749265 NHNPJBFPCDYAQE-NRFANRHFSA-N 382.504 3.726 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1cccc(Br)c1)c1cccc(F)c1 12604329 DEURJKMMPSSFNZ-MRXNPFEDSA-N 388.240 3.841 0 40 GHAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2cccc(Cl)c2Cl)NC(=O)N1C 10354110 XLVHTNKTOCBOHM-HNNXBMFYSA-N 395.246 3.899 0 40 GHAB COc1cccc(N2CCN(C[C@@H](O)c3ccccc3C(F)(F)F)CC2)c1 58377091 YHNBLLJRZLJQRO-LJQANCHMSA-N 380.410 3.570 0 40 GHAB COc1cccc(-n2c(S[C@H](C)c3nnc(C)o3)nc3ccccc3c2=O)c1 48186856 MKYCDAGZGRPWFR-GFCCVEGCSA-N 394.456 3.939 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c1OC 3385583 VQLVOAGKXUSLOR-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1cc(=O)c2ccccc2o1 28288889 MZKQOXJWGUWGFC-INIZCTEOSA-N 382.485 3.812 0 40 GHAB COCCOC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2362320 HVOTZQMVLVYDPF-UHFFFAOYSA-N 394.475 3.860 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2N)c1 2393511 PVOQHLQQYBDLID-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB COC(=O)c1cc(CNC(=O)c2csc(-c3ccccc3)n2)ccc1OC 12761612 LJQHYJYANMNWAP-UHFFFAOYSA-N 382.441 3.535 0 40 GHAB O=C(CCSCc1cn2ccccc2n1)Nc1nnc(-c2ccco2)s1 12758331 KTSGMEBYWDCFJT-UHFFFAOYSA-N 385.474 3.708 0 40 GHAB O=C(NCc1ccco1)c1cccc(Cn2cnc3c(oc4ccccc43)c2=O)c1 48365975 OJWKHYKKYDZSTO-UHFFFAOYSA-N 399.406 3.714 0 40 GHAB NC(=O)CSc1ccccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 12940388 MOBRKVWLFPLJAN-UHFFFAOYSA-N 392.484 3.579 0 40 GHAB Cc1cc(C)c2cc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)[nH]c2c1C 12918611 HXJPYDSYSBELQH-LJQANCHMSA-N 397.544 3.958 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)C2CC2)c1 12912342 IJOFOPYVLHWIJN-UHFFFAOYSA-N 386.517 3.522 0 40 GHAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)n1C 8365539 PBJZWRGGHSQKQP-ZDUSSCGKSA-N 387.534 3.983 0 40 GHAB COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccccc3C(F)(F)F)C2)c1 5030275 DORURYAPYUMNHY-KRWDZBQOSA-N 394.349 3.854 0 40 GHAB C[C@@H](Oc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 6127107 ZFKSAGDJRAJYBJ-MRXNPFEDSA-N 390.439 3.771 0 40 GHAB CCOc1ccc(-c2nnc3n2N=C(c2cc(OC)ccc2OC)CS3)cc1 5120322 MDOBHXGCFCCYHV-UHFFFAOYSA-N 396.472 3.719 0 40 GHAB O[C@]1(C(F)(F)F)[C@H]2COc3ccccc3C2=NN1c1nc2ccccc2s1 5275050 SJANWJHLGDYGHJ-GTNSWQLSSA-N 391.374 3.780 0 40 GHAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1 13944894 ALMBZWBZCKGDKI-KRWDZBQOSA-N 393.462 3.899 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2N2CCOC2=O)cc1OC(F)F 65476836 YHGXJVOPOGVNRH-UHFFFAOYSA-N 378.331 3.506 0 40 GHAB COc1cc(C(=O)N(C)CCOc2ccccc2Cl)cc(OC)c1OC 14188641 WRHDHRGJSZSPEL-UHFFFAOYSA-N 379.840 3.517 0 40 GHAB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CCN(CC)C4)N2)ccc1OC 4556420 DDJCAWYHBRJQEH-SFHVURJKSA-N 387.505 3.962 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CCNC(=O)CCC(=O)c1cccs1 14245464 NBQDUVPGANSXDA-UHFFFAOYSA-N 378.881 3.818 0 40 GHAB CCN(CC)CCNC(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 4600289 RUACKRSZWUSFLW-UHFFFAOYSA-N 383.492 3.656 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)n2C)c1 6788529 LVWOYBCDALOFPL-UHFFFAOYSA-N 381.457 3.537 0 40 GHAB COC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc2c1CCCCC2 18269690 IAGJSJCAEDTWCY-UHFFFAOYSA-N 379.503 3.913 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)CNc2ccc(OC(F)F)c(Cl)c2)cc1 15320793 BZLIEILHXBMEKM-UHFFFAOYSA-N 397.809 3.694 0 40 GHAB CN(C)S(=O)(=O)c1ccc(C(=O)OC2c3ccccc3-c3ccccc32)cc1 7141398 QPJKLLFYLRJYEU-UHFFFAOYSA-N 393.464 3.864 0 40 GHAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1cc2ccccc2oc1=O 7420997 HHJWPLHHJUCLDY-UHFFFAOYSA-N 382.759 3.853 0 40 GHAB O=C(CCCCCn1nnc2ccccc2c1=O)Nc1nc2ccccc2s1 9015756 XAYRAQBDOINLNC-UHFFFAOYSA-N 393.472 3.600 0 40 GHAB O=c1[nH]c(CSc2nnc(C3CC3)n2Cc2ccccc2)nc2ccsc12 9376890 OMDZWWFRIJDTCS-UHFFFAOYSA-N 395.513 3.794 0 40 GHAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9884609 HUZZOACGYJDANR-FQEVSTJZSA-N 379.456 3.689 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2nc(C(C)C)cs2)c1 84210772 HZHITSWHHIRZNF-OAHLLOKOSA-N 375.519 3.729 0 40 GHAB COc1ccccc1[C@@H](C)N(C)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 72309091 YPQZQPRTOISENC-OAHLLOKOSA-N 398.532 3.722 0 40 GHAB O=C(COC(=O)c1cc2c(s1)CCC2)c1cnc(N2CCCCC2)s1 84338914 FVYCMKAIYGDTDT-UHFFFAOYSA-N 376.503 3.723 0 40 GHAB CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2ccn(C)c2)cc1 79013676 YDZBYMKLUPQGFD-OAHLLOKOSA-N 383.521 3.699 0 40 GHAB COc1ccc(Br)cc1C(=O)Nc1c(O)c2ccccc2oc1=O 20853712 SARZNLTVIVBTRI-UHFFFAOYSA-N 390.189 3.522 0 40 GHAB COc1ccc(CN2C[C@H]3[C@@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)cc1 306124530 BSTPALZEQXEODV-XZOQPEGZSA-N 387.483 3.578 0 40 GHAB O=c1nc2n(c3[nH]ncc13)[C@@H](c1ccccc1)[C@H](Sc1ccccc1)CS2 35682022 JEGQPVLJDSGCKY-SJORKVTESA-N 392.509 3.976 0 40 GHAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1cnc2onc(C)c2c1 505866169 MOUFPHPDXVJTRY-GOSISDBHSA-N 380.448 3.623 0 40 GHAB COc1ccc2c(c1)CN(C(=O)Cn1cc(Cl)cn1)[C@@H](c1ccccc1)C2 513575729 ZNUXORLKYYTMMR-HXUWFJFHSA-N 381.863 3.871 0 40 GHAB COCCn1cc2c(n1)[C@H](NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 541880209 WEZVFAUEYJKPEB-LJQANCHMSA-N 381.476 3.629 0 40 GHAB Cc1ccccc1CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 39767359 VPRGAMFPDCQKPU-UHFFFAOYSA-N 391.559 3.551 0 40 GHAB Cc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)C3CCOCC3)C2)c1 72362899 FHAGIMOVRSKDSQ-SFHVURJKSA-N 381.476 3.710 0 40 GHAB CCCC[C@@H](CC)CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 42792315 VFNWAEWONLPEAC-GOSISDBHSA-N 394.581 3.561 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 223578562 MAXBOHAMARGUKO-LJQANCHMSA-N 382.504 3.544 0 40 GHAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(Cc1cccc3cccnc13)CC2 567396839 ATJPYRFKKHBAMA-LJQANCHMSA-N 392.455 3.826 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1 225535004 ULQQXIAQALQXGR-MRXNPFEDSA-N 388.895 3.661 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 223544645 HSPWABBCTQWCNU-GOSISDBHSA-N 384.545 3.782 0 40 GHAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)nc(NC(=S)NCc2ccc(F)cc2)n1 225949056 VRSMTDZZNFIZDG-OKILXGFUSA-N 387.528 3.893 0 40 GHAB B[PH]1(c2ccccc2)OC[C@H](C(C)C)N1Cc1ccccc1Br 226346302 JMZAMZRGHFDGBU-GOSISDBHSA-N 392.086 3.759 0 40 GHAB CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1ccccc1F)S(C)(=O)=O 220585840 MDACRMXMWNGLHV-OAHLLOKOSA-N 384.860 3.662 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1 222847382 GAAHOAYVXUEYEF-KRWDZBQOSA-N 396.512 3.619 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)ccc1Cl 223862845 IPPVEYSDVSEWHH-UHFFFAOYSA-N 388.272 3.601 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(F)cc1 223538993 LNYQYTBJJWIFQX-MRXNPFEDSA-N 388.508 3.612 0 40 GHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC 223266329 GVTYGRIVPFMTAD-QFIPXVFZSA-N 396.531 3.961 0 40 GHAB O=C(Nc1ccccc1)c1nc2c(s1)CCN(C(=O)c1ccccc1)CC2 96264713 VYJDGZLRHNHBSY-UHFFFAOYSA-N 377.469 3.636 0 40 GHAB CN(C)c1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 98212214 DSOQSEWMMNRYOE-SFHVURJKSA-N 380.423 3.919 0 40 GHAB O=C(C1CC=CC1)N1CCC2(CC1)C[C@H](C(=O)N1CCCC1)c1ccccc12 96079333 JKDADAAIIYKNBO-FQEVSTJZSA-N 378.516 3.623 0 40 GHAB O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 243607461 OWHBUXHGIZVGCW-CQSZACIVSA-N 377.271 3.705 0 40 GHAB Cc1ncc2ccc(C(=O)N[C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)cn12 585081961 JWRRPRKFVBNAOL-INIZCTEOSA-N 397.784 3.778 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@](O)(c1ccoc1)c1cccs1 253471094 AZXABYITKDVCIW-QGZVFWFLSA-N 397.905 3.517 0 40 GHAB Cc1c[nH]c(-c2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3)nc(C)n2)n1 257228981 FWCCHHNUAKOEGO-IBGZPJMESA-N 379.439 3.990 0 40 GHAB Cc1cc(C(=O)N2C[C@H]3[C@@H](Oc4ccc(F)cc4)CC[C@H]3C2)c2c(C)noc2n1 257268239 MKUICWYIVXLEBT-KYNGSXCRSA-N 395.434 3.908 0 40 GHAB CC(C)n1cnc2cc(C(=O)N(CCC(=O)O)CCc3ccccc3)ccc21 257210353 BUGKEOQFOUVRHG-UHFFFAOYSA-N 379.460 3.777 0 40 GHAB O=C(O)[C@@H](c1cccnc1)N1CCC(Oc2cccc(Br)c2)CC1 652435517 NZFJLUUJBGYBPM-QGZVFWFLSA-N 391.265 3.513 0 40 GHAB COc1cccc(N2CC[C@@H](CNC(=O)NCc3ccc4occc4c3)C2)c1 660545292 SFRIDUSUWOVQOB-KRWDZBQOSA-N 379.460 3.767 0 40 GHAB O=C(C[C@]12CCCC[C@@H]1C2(F)F)Nc1cc(F)c(N2CCOCC2)cc1F 614805370 IPHGZKDUMKSKKM-FUHWJXTLSA-N 386.389 3.956 0 40 GHAB Cc1cc(C)c2nc(O)c(CNC[C@H](O)COc3c(C)cccc3C)cc2c1 585283067 BGXPAOGDYIRHBE-FQEVSTJZSA-N 380.488 3.704 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3ccccc3Cl)C2)CN1c1cccc(F)c1 1615118810 DTNPRFQPRLLHOG-NRFANRHFSA-N 388.870 3.877 0 40 GHAB N[C]1CCCN(c2c(/C=C3\SC(=O)NC3=O)cccc2-c2ccccc2)C1 1560410028 OZGCHMJWSWPAAF-PDGQHHTCSA-N 378.477 3.768 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)o2)c1 5294041 YUMJREPAZDYWAF-HOCLYGCPSA-N 375.494 3.744 0 40 GHAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 5867255 PZSOMZACBKWUNM-ZDUSSCGKSA-N 396.472 3.671 0 40 GHAB CC[C@H](C)C(=O)N1CCN([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 12941313 LAXVVUQDTNYBLH-UONOGXRCSA-N 376.888 3.641 0 40 GHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1 14831768 LSCMMWHYDUALLH-FMIVXFBMSA-N 397.500 3.816 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1 15865397 AGVYNZWODXKVPH-UHFFFAOYSA-N 385.423 3.834 0 40 GHAB CCOc1ccc(-c2nc(N3CCOCC3)nc3c2C(=O)c2ccccc2-3)cc1 17079083 JVKVRHIZICFNLX-UHFFFAOYSA-N 387.439 3.590 0 40 GHAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(-c2cccc(F)c2)c1 19330659 PESDKCFKCIVUHN-UHFFFAOYSA-N 395.434 3.686 0 40 GHAB O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1nn2cccnc2c1Cl 19338193 PAJYQCHTYVXOQD-INIZCTEOSA-N 398.253 3.951 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)CCc2[nH]nc3c2CCCC3)c(OC)c1 19552116 SIQROYVHXIFIKT-FQEVSTJZSA-N 383.492 3.602 0 40 GHAB COc1ccc(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)cc1Br 165382290 VMRSPXRKYIOPRF-DUXPYHPUSA-N 375.144 3.730 0 40 GHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 19661384 SUXAKXUNFHGWGZ-LBPRGKRZSA-N 379.815 3.724 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)C[C@@H](NC(N)=O)c1cccs1 26686213 VYGRRWUXKWBJLB-CQSZACIVSA-N 375.494 3.792 0 40 GHAB CSc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 31505713 LROMRWQVPBRGRM-KRWDZBQOSA-N 394.500 3.778 0 40 GHAB O=S(=O)(c1c(Cl)cccc1Cl)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565523848 YMSSDEDSDYYGPI-RYUDHWBXSA-N 386.304 3.747 0 40 GHAB CC(C)Oc1ccccc1CN1CC[C@H]2[C@@H]1CC(=O)N2Cc1ccc(F)cc1 1565552019 VVMCZWUJHZNQHU-SFTDATJTSA-N 382.479 3.988 0 40 GHAB CC[C@H](SC1=NCCS1)C(=O)Nc1nnc(-c2ccccc2OC)s1 4174666 MNGVNASUBKMCCV-LBPRGKRZSA-N 394.547 3.767 0 40 GHAB CCOc1ccc(CC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1 5441909 HJHHWOITDQILNL-UHFFFAOYSA-N 382.460 3.792 0 40 GHAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3)nc2O)cc1 16777319 SCRMDFZASMNZMV-UHFFFAOYSA-N 380.473 3.516 0 40 GHAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)Nc1cccc(Cl)c1 23106198 DPKXQEADCOMYHR-SFHVURJKSA-N 377.847 3.674 0 40 GHAB Cc1cc(C)c(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1C 23127716 ZNUZTYURIMHUQO-UHFFFAOYSA-N 392.590 3.864 0 40 GHAB Cc1cc(C)c2sc(N3CCN(C(=O)NCc4ccccc4)CC3)nc2c1 38548469 CAXKFGRYLJXUCU-UHFFFAOYSA-N 380.517 3.945 0 40 GHAB CO[C@H]1C[C@@H]2CN(C(=O)NC3CCCC3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242695 ITJSPNYKFPEWMV-YVCBRDFCSA-N 396.535 3.895 0 40 GHAB CN(C)[C@H](CNC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1cccs1 36685108 SHWZOMLKCOIZLJ-CQSZACIVSA-N 396.438 3.536 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCC(=O)c1ccc(Cl)s1 8314235 AWLLKKZGNDHALK-UHFFFAOYSA-N 382.844 3.601 0 40 GHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCCC[C@H]1C 904821 RWWPWVDMGKBZQQ-MRXNPFEDSA-N 388.537 3.679 0 40 GHAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCCCCC3)cc2c1 930096 BYIFJNLSFQWUEI-LJQANCHMSA-N 394.523 3.543 0 40 GHAB C[C@H]1CCc2c(sc3nc(SCC(=O)N4CCCC[C@@H]4C)[nH]c(=O)c23)C1 1368075 MGFJCJMAVFTRFN-RYUDHWBXSA-N 391.562 3.603 0 40 GHAB CCOC(=O)C1=C(C(F)(F)F)NC(=S)N[C@@H]1c1ccc(C(F)(F)F)cc1 3196919 JFZZPGNBFIANLE-SNVBAGLBSA-N 398.328 3.604 0 40 GHAB CC(C)N1CNC2=N[C@@H](c3ccc(Cl)cc3F)n3c(nc4ccccc43)N2C1 20721826 UPSKIXJXZYMXAU-GOSISDBHSA-N 398.873 3.780 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CN(CCOC)C(=O)c3cccc(C)c3)cc2c1 4861316 UTROPQVBVXLIHT-UHFFFAOYSA-N 394.471 3.524 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C)C(=O)N3CCC(C)CC3)o2)cc1 11644901 SVLXAXYNVSRLCT-KRWDZBQOSA-N 384.476 3.773 0 40 GHAB O=C(C[C@](O)(c1ccccc1)c1ccc(Cl)cc1)NC(=O)c1ccccc1O 6575667 DDEPSTRGUUWAKZ-QFIPXVFZSA-N 395.842 3.628 0 40 GHAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1 7939766 UETOTEZPNFWTDA-UHFFFAOYSA-N 389.835 3.948 0 40 GHAB CCCCc1ccc([C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)c2cccs2)cc1 32768936 KZCHEECMKMMLQW-MJGOQNOKSA-N 391.558 3.731 0 40 GHAB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc(Cl)c2)CC1 10010372 UINZRBVVMCMFSG-UHFFFAOYSA-N 392.286 3.914 0 40 GHAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 32841860 CHNRKOVVQFCYTR-DJYJQHBUSA-N 384.451 3.572 0 40 GHAB CN(Cc1ccccc1F)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 8244445 ICDXDMMDMOYPED-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB Cc1ccc(-c2nc(CC(=O)O[C@H](C(N)=O)c3ccc(F)cc3)cs2)c(C)c1 10761417 YJYYHZIMHQNGDH-IBGZPJMESA-N 398.459 3.878 0 40 GHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@H]1[C@H]4c5ccccc5[C@H]1C[C@H]43)C2 104293725 JVGVRUMDARERFS-FXCHHPEXSA-N 377.488 3.579 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(F)c2)nc2sc(C)c(C)c2c1=O 2195458 YVSJHFZLCDLYGM-UHFFFAOYSA-N 391.493 3.965 0 40 GHAB CCCCNC(=O)c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)c1C 12274456 IGXQMOZZNISGBH-UHFFFAOYSA-N 375.432 3.914 0 40 GHAB COc1ccccc1N[C@H](NC(=O)c1ccco1)C(=O)c1ccc(Cl)cc1 913233 LGWWEOGEJJGHEB-LJQANCHMSA-N 384.819 3.993 0 40 GHAB O=C(CNc1ccc(Cl)cc1C(=O)NC1CC1)Nc1ccc(Cl)cc1 58005286 PELOSNRTTHLGGS-UHFFFAOYSA-N 378.259 3.936 0 40 GHAB O=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc(Cc2ccncc2)cc1 42521534 KRJQRGVZXLFKSP-UHFFFAOYSA-N 379.847 3.694 0 40 GHAB Cc1cc(OCC(=O)N(C)Cc2nc(-c3cccs3)no2)ccc1Cl 28188782 LIWJEJROJNOJQZ-UHFFFAOYSA-N 377.853 3.797 0 40 GHAB Cc1cc(C(=O)OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1Cc1ccco1 105888656 KCFHBMMZLPQBBC-HGKSCXNLSA-N 398.503 3.844 0 40 GHAB CCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 20766273 OLTCWMMLJVTPEL-UHFFFAOYSA-N 392.908 3.621 0 40 GHAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1OC 20456847 ZYZHJCATFUFKSO-MRXNPFEDSA-N 387.476 3.619 0 40 GHAB CC(C)C(NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O)C(C)C 20063020 YSMYUGMZAALKCR-UHFFFAOYSA-N 386.517 3.659 0 40 GHAB COc1ccc([C@@H](C)NC(=O)NCCCCN2C[C@@H](C)C[C@@H](C)C2)c(OC)c1 109041315 MSSRICLKSTZNHL-FGTMMUONSA-N 391.556 3.822 0 40 GHAB COc1ccc([C@H]2C=C(C(=O)O)Nc3nc(SCc4ccccc4)nn32)cc1 102829384 SGJVNRFFNMJCNF-QGZVFWFLSA-N 394.456 3.562 0 40 GHAB O=C(NCc1ccccc1OC(F)F)Nc1cccc(C(=O)N2CCCC2)c1 44141207 LBNJKYBMYQJRDJ-UHFFFAOYSA-N 389.402 3.846 0 40 GHAB COc1ccc(-n2cnnc2SCC(=O)N2CCC[C@H]2c2ccccc2)cc1 26706698 CMVICHRGTMCQIG-IBGZPJMESA-N 394.500 3.732 0 40 GHAB Cc1nc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)sc1-c1ccccn1 12517416 IOPXMEMRNUVIET-FQEVSTJZSA-N 379.441 3.624 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCC[C@@H]1c1ccccc1 10088700 LCDSUUFVYAPMRI-LJQANCHMSA-N 385.895 3.574 0 40 GHAB CN(C[C@H]1CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 58142808 WDYPRGTZQBYCBO-JOCHJYFZSA-N 391.515 3.550 0 40 GHAB O=C(CNC(=O)c1ccccc1F)Nc1ccc(-c2cn3ccccc3n2)cc1 10322193 XGJVXTWJBSLHOT-UHFFFAOYSA-N 388.402 3.509 0 40 GHAB NC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1 10577531 MTKYYVOTVOGCRS-QGZVFWFLSA-N 395.459 3.856 0 40 GHAB CC(C)=C[C@@H]1[C@@H](C(=O)OCC(=O)N2CCc3[nH]c4ccccc4c3C2)C1(C)C 28415121 FQQCXXXWHZLVOE-UTKZUKDTSA-N 380.488 3.834 0 40 GHAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)cn2)n1 48166573 ZLSGPBLGXUYUOJ-ZDUSSCGKSA-N 393.472 3.569 0 40 GHAB Cc1ccc2c(CN(C)Cc3ccccc3N3CCOCC3)cc(=O)oc2c1 12751036 RZTAVYCKVNFOLL-UHFFFAOYSA-N 378.472 3.570 0 40 GHAB Cc1nc2sccc2c(=O)n1NC(=O)C(c1ccccc1)c1ccccc1 12796276 PEGRGJXGJUJLMZ-UHFFFAOYSA-N 375.453 3.669 0 40 GHAB C/C=C/c1ccc(OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(OC)c1 12748265 CNQSOHVISPBNLR-SZTZYQKNSA-N 380.444 3.871 0 40 GHAB COc1ccc2cc(COC(=O)c3ccccc3NCCO)c(Cl)nc2c1 21761929 DJHIDSYDSLPRPJ-UHFFFAOYSA-N 386.835 3.658 0 40 GHAB Cc1ccc(C)c(C(=O)CCC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c1 48248122 SVUZPTWSCUNTHE-OAQYLSRUSA-N 392.499 3.746 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1c[nH]c2ccccc12 12806450 ROPJXUFDELJKKZ-UHFFFAOYSA-N 397.500 3.985 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1C 12810400 ROHPASCEOMRNBX-UHFFFAOYSA-N 397.519 3.724 0 40 GHAB CCOc1ncccc1C(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 12803176 PPPSPLZWLOOYPS-UHFFFAOYSA-N 385.445 3.873 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 3488250 GHLIMWIJQCNBJO-QZTJIDSGSA-N 393.483 3.887 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)NCCc2ccc(Cl)cc2)c1 12917859 BSARQIWULNEACB-UHFFFAOYSA-N 386.908 3.555 0 40 GHAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1cccnc1Cl 3509906 VBHBZBPMILRQAV-UHFFFAOYSA-N 395.846 3.958 0 40 GHAB COc1cc(CC(=O)Nc2ccccc2N2CCCCC2)cc(OC)c1OC 3603648 QDDJPAUWMRVXHU-UHFFFAOYSA-N 384.476 3.884 0 40 GHAB Nc1nc2n(n1)[C@H](c1cccs1)C[C@H](c1ccc(Br)cc1)N2 13127516 LQIHLRIYPKSCNX-NEPJUHHUSA-N 376.283 3.831 0 40 GHAB Cc1ccccc1OCc1nnc(SCc2nc(O)c3ccccc3n2)n1C 13571365 YBUTZOQPCRXWRV-UHFFFAOYSA-N 393.472 3.644 0 40 GHAB COc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)sc2CC(=O)O)cc1 408889017 AQTKXNLNLGIDJI-UHFFFAOYSA-N 384.413 3.888 0 40 GHAB Cc1ccnc(NC(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)c1 6276374 UDPKYPCIFHAYSW-UHFFFAOYSA-N 376.338 3.894 0 40 GHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1Cl)C(=O)/C=C/C(=O)O 8861909 SJHNSWRZXUFDRM-VAWYXSNFSA-N 395.846 3.792 0 40 GHAB CC(C)C[C@H](C(=O)N[C@@H]1CCc2ccccc21)N1C(=O)c2ccccc2C1=O 14186581 RCJAWWSLBVEDHQ-WOJBJXKFSA-N 376.456 3.501 0 40 GHAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)Cc4ccccc4)c3)nn12 4556475 SNDOTKPBRQZCBR-UHFFFAOYSA-N 377.473 3.905 0 40 GHAB Cc1csc([C@](O)(CC(=O)Nc2ccc(OC(F)F)cc2)C(F)(F)F)n1 65621092 IEWDSIIMUCSPPG-CQSZACIVSA-N 396.337 3.832 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1ncnc2sccc12 8945132 UAZDNZGZJBQYKD-UHFFFAOYSA-N 395.513 3.628 0 40 GHAB CCOc1ccc2nc(SCC(=O)Nc3sccc3C(N)=O)sc2c1 6507497 KRRBSGYLASQUPH-UHFFFAOYSA-N 393.515 3.586 0 40 GHAB C[C@@H](O)CNCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 22075069 NUXWDIPHPMNJIV-CQSZACIVSA-N 383.319 3.632 0 40 GHAB Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c(Cl)c1 14669208 VLDHMZOSURMLTH-UHFFFAOYSA-N 380.897 3.768 0 40 GHAB CSc1ccccc1NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 4704941 VCPNQZLKWCLWOV-UHFFFAOYSA-N 398.937 3.775 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccccc2F)N1C[C@@H]1CCCO1 6752764 YQNRGVWBGDRCEP-ZSEKCTLFSA-N 393.418 3.646 0 40 GHAB CN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)cc2C1=O 14912236 LHTOCSRJLYBTBG-UHFFFAOYSA-N 397.862 3.808 0 40 GHAB COc1cc(NC(=O)c2cn(C3CC3)c(=O)c3ccccc23)cc(OC)c1OC 71285963 IGBVQASYUKFWCS-UHFFFAOYSA-N 394.427 3.615 0 40 GHAB O=C(Cc1ccccc1C(=O)O)Nc1ccc(NC(=O)C2CCC2)c(Cl)c1 71287731 HGVIQNWAMNERHC-UHFFFAOYSA-N 386.835 3.958 0 40 GHAB CN(c1ccccc1C(=O)Nc1ccccc1F)S(=O)(=O)c1ccccc1 409333650 UZFCQQCPDKSHRH-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3F)o2)cc1 4943142 VWZQSIZHNGHGNS-UHFFFAOYSA-N 389.408 3.527 0 40 GHAB COc1cccc(-n2c(-c3ccccc3)cnc2SCC(=O)NC2CC2)c1 7124236 LAVICTIDFFKRHI-UHFFFAOYSA-N 379.485 3.919 0 40 GHAB Cc1cc(Oc2ccc(S(=O)(=O)NCc3ccco3)cn2)ccc1Cl 9468325 XDJHBTHNWHIXHL-UHFFFAOYSA-N 378.837 3.907 0 40 GHAB O=C(/C=C/c1cccs1)NC(=S)Nc1ccc(OC[C@H]2CCCO2)cc1 7446941 INKCTGLZNWTNPC-ZNFPLGDCSA-N 388.514 3.832 0 40 GHAB CC(C)Oc1cccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)c1 20609820 QNDNMKIIFFXKFD-UHFFFAOYSA-N 379.445 3.892 0 40 GHAB Cc1cc(-c2csc(N)n2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 7763033 IUNVGQQEGXXXPE-UHFFFAOYSA-N 379.489 3.598 0 40 GHAB O=C(COc1ccc(Br)cc1)NCCOc1ccc(Cl)cc1 7889298 MDOFFJKKNDWSTL-UHFFFAOYSA-N 384.657 3.677 0 40 GHAB CCn1c(SCC(=O)Nc2cc(-c3ccc(C)cc3)no2)nnc1C1CC1 8280139 OOYGMAUPSCQQDY-UHFFFAOYSA-N 383.477 3.870 0 40 GHAB CC(C)C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 9367234 CSGPDJHTUJRKLB-SFHVURJKSA-N 398.894 3.850 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1nc(-c2ccccn2)cs1 9656989 IVCOQMMQGFPQMM-UHFFFAOYSA-N 380.429 3.532 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)c3cc(C)n(C4CC4)c3C)C(=O)[C@@H]2C)cc1 9882301 BMAWCPUIFVAIAL-INIZCTEOSA-N 379.460 3.788 0 40 GHAB C[C@H](c1cccnc1)N1CCN(CCc2cccc(OC(F)(F)F)c2)CC1 97020410 IINRPMRXEIYBRJ-MRXNPFEDSA-N 379.426 3.902 0 40 GHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@@H](O)c1ccc(F)c(F)c1 95365096 QSGNNGAZZRTRDI-HXUWFJFHSA-N 393.384 3.869 0 40 GHAB CN(Cc1nccn1C(F)F)C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 95993072 LSXZJBNYHOBADV-HNNXBMFYSA-N 391.466 3.743 0 40 GHAB COC(=O)[C@H](C)[C@@H](NCCCc1nc(-c2ccccc2)no1)c1ccccc1 79025890 SQQFSAMLVNNPLK-OXQOHEQNSA-N 379.460 3.809 0 40 GHAB CCc1nnc([C@@H](C)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1 89296182 PSXNSBFFDUSXPK-CYBMUJFWSA-N 377.876 3.586 0 40 GHAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC[C@@H]2[C@@H]2CCCN2C)o1 89526068 YESZTMWXXSWVNE-ZWKOTPCHSA-N 393.491 3.759 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 68845511 LKKXZLZCBRMYMC-LJQANCHMSA-N 385.504 3.627 0 40 GHAB Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)n1 60658470 ADTWHYIZZLNFEW-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB COc1cccc(N2CCN(C(=O)c3cn[nH]c3-c3ccc(Cl)cc3)CC2)c1 31385545 SSVJJEJXYQGNLZ-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB COc1ccc(CCNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1OC 72328872 DKPXNFALIMKXET-UHFFFAOYSA-N 385.851 3.720 0 40 GHAB O=C([C@@H]1COc2ccccc2O1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 32594231 MBCURHADQURWIL-PXNSSMCTSA-N 387.863 3.688 0 40 GHAB CCCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)CC1(CCN(C(C)=O)CC1)O3 32095616 UYGQHVDFHCAZGB-UHFFFAOYSA-N 397.471 3.790 0 40 GHAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)n1 72350381 MDRIHJPDCNQFQB-LJQANCHMSA-N 393.531 3.805 0 40 GHAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(=O)c2ccccc2o1 46397450 PTOQKLQNXTWWQO-IBGZPJMESA-N 399.450 3.845 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCSCc2ccccc2C)c(C)c1 224567581 SPYBYJNUHYBSSW-UHFFFAOYSA-N 379.547 3.832 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(Br)c(Cl)c2)cc1 224866065 VYXGUIVGUKZCBA-UHFFFAOYSA-N 390.686 3.936 0 40 GHAB COc1ccccc1S(=O)(=O)NC[C@](C)(O)c1ccc(-c2ccccc2)cc1 77184252 VSVWSWPNIOLBKO-QFIPXVFZSA-N 397.496 3.548 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3cc(C)ccc3C)ccc21 225802765 RWKGQZOBKUTUQP-MRXNPFEDSA-N 386.517 3.642 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 223001555 UOOJVEMDAFRJOB-NRFANRHFSA-N 396.531 3.852 0 40 GHAB COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccc(C)o1)CC2 96061349 TUZYSKYAGTZZOD-NRFANRHFSA-N 382.504 3.585 0 40 GHAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1)c1cc(F)cc(F)c1 257334393 YFRUTQDNRYOEMA-JOCQHMNTSA-N 399.401 3.509 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@@]2(C)c2ncc(Cc3cccc(F)c3)o2)n1 257306133 STBHNRYALOZAPA-QFIPXVFZSA-N 396.466 3.756 0 40 GHAB O=C(c1cccc(O)n1)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257311922 ULPZIZBPXFEBCD-HNNXBMFYSA-N 381.407 3.525 0 40 GHAB Cc1ccnc(Nc2cccc(C(=O)Nc3ccccc3O[C@H]3CCOC3)c2)n1 1622298558 LKMGWUJEXHRQJX-SFHVURJKSA-N 390.443 3.949 0 40 GHAB CSc1cc(Br)ccc1C(=O)N1CCCC[C@H]1[C@@H]1CCNC1 655476317 ZPOJWGMXKKBIPO-DOMZBBRYSA-N 383.355 3.775 0 40 GHAB CC(C)Oc1ccc(CNC(=O)N2C[C@@H](C)[C@@](C)(CO)C2)c(C(F)(F)F)c1 663932033 RWLZMKKRUZEYTK-FZKQIMNGSA-N 388.430 3.653 0 40 GHAB O=C(NCCc1ccc(C2CCCCC2)cc1)N1CCOC2(CCOCC2)C1 661522907 IKNFOBCLUCHLTO-UHFFFAOYSA-N 386.536 3.868 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1Br 1624053489 ULDRGMXWMDGMKC-INIZCTEOSA-N 387.277 3.745 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)cc2n1 12230109 SOTVGLPZFKTXPT-CABCVRRESA-N 396.413 3.543 0 40 GHAB CCc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)on1 12276666 JSEYVCXUSBGJSZ-QGZVFWFLSA-N 377.448 3.533 0 40 GHAB Cc1ccc(NC(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)cc1F 12628093 WKVWSIIFMHOMRI-UHFFFAOYSA-N 391.449 3.644 0 40 GHAB CCOc1cc2c(cc1CNC(=O)c1cccc(OC(F)F)c1)O[C@@H](C)C2 12747592 IHWQSIMNMDHOIE-LBPRGKRZSA-N 377.387 3.940 0 40 GHAB Cc1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)Cc3ccccn3)cc2)n1 13228156 NDOIENUJSKJAPQ-UHFFFAOYSA-N 395.466 3.768 0 40 GHAB O=c1[nH]c2cc3c(cc2cc1CNc1ccc(N2CCC[C@H](O)C2)cc1)CCC3 13563488 BSUOTJQCROWVEH-QFIPXVFZSA-N 389.499 3.590 0 40 GHAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccc(F)c1 14291295 XQUCMFKIQATQHA-UHFFFAOYSA-N 383.408 3.561 0 40 GHAB COc1cccc(C(=O)N2CC[C@H](C(=O)Nc3nc4c(s3)CCCCC4)C2)c1 19750232 IYDWMTMUTCAQNU-HNNXBMFYSA-N 399.516 3.521 0 40 GHAB O=C1CC2(CCN(C(=O)c3ccnc(OCC4CC4)c3)CC2)Oc2ccccc21 245108371 STYGYJKLLSBRKC-UHFFFAOYSA-N 392.455 3.511 0 40 GHAB Cc1nc(CN2CC[C@@H]3CN(C(=O)c4sccc4F)C[C@@H]3CC2)cs1 2056224495 SNBAHTHESCIRAF-OKILXGFUSA-N 379.526 3.636 0 40 GHAB Cc1ccc(C)c(N2C[C@@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)c1 2974526 KXQUOLFDBZQPQU-XMMPIXPASA-N 393.507 3.725 0 40 GHAB O=C(CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)Nc1nccs1 4251307 NTJNYLMURKVCPY-UHFFFAOYSA-N 394.485 3.517 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 4315002 XBKRKVMVLLQSRM-UHFFFAOYSA-N 375.881 3.785 0 40 GHAB Cc1ccc(NC(=O)NCCS(=O)(=O)c2c(C)n(C)c3ccccc23)cc1C 8808492 JXFAVEROACQKMF-UHFFFAOYSA-N 399.516 3.699 0 40 GHAB CCCN1C(=O)CCc2cc(NC(=O)c3ccc(Br)o3)ccc21 9107180 XZCISPJBCONELD-UHFFFAOYSA-N 377.238 3.984 0 40 GHAB COc1ccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)cc1OC 9102576 SAFAPNNLZMOILL-UHFFFAOYSA-N 375.469 3.843 0 40 GHAB CCCCC1CCC(C(=O)Nn2cnc3c(cnn3-c3ccccc3)c2=O)CC1 10251048 IDWADWVCDUYVDL-UHFFFAOYSA-N 393.491 3.649 0 40 GHAB Cc1cc(C)cc(-n2nnc(-c3nsc(NC(=O)c4ccco4)n3)c2C)c1 20848779 ZOQYDAZRIDHGSV-UHFFFAOYSA-N 380.433 3.556 0 40 GHAB COc1ccc(C(=O)N2CCS[C@H](c3ccc4c(c3)OCO4)CC2)cc1F 219229636 QUYRHHDFKLQASN-IBGZPJMESA-N 389.448 3.883 0 40 GHAB COC(=O)c1ccc(C(=O)N2CCC(Oc3cccc4cccnc34)CC2)cc1 225705437 KEUIQJGIFCCPAT-UHFFFAOYSA-N 390.439 3.705 0 40 GHAB Cc1cc(C)cc(NC(=O)Cn2cnc(-c3noc(-c4cccc(F)c4)n3)c2)c1 49420726 RPMXEEFIUQMFAM-UHFFFAOYSA-N 391.406 3.995 0 40 GHAB Cc1nn(CCNC(=O)C2(c3ccccc3)CCOCC2)c(C)c1-c1ccco1 575614813 JDTNGHBPACBPHF-UHFFFAOYSA-N 393.487 3.625 0 40 GHAB Cc1nc2ccc(Br)cc2c2c1C[C@H](COC(=O)c1cccnc1)O2 1280527 GDJIZQAFBCWIEY-CQSZACIVSA-N 399.244 3.861 0 40 GHAB biogenic O=C(CCc1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 40070920 XLPXSWWDDLFASZ-UHFFFAOYSA-N 390.405 3.623 0 40 GHAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 40142039 URJGMIHUSFTFJN-CQSZACIVSA-N 379.485 3.603 0 40 GHAB Cc1cccc2cc(CN(C(=S)NC[C@H]3CCCO3)C3CCCC3)c(=O)[nH]c12 907818 RYMAWHGVDMZGIJ-LJQANCHMSA-N 399.560 3.635 0 40 GHAB CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4C)CC3)n[nH]2)cc1 51315732 QVGHPKAAZOORDX-UHFFFAOYSA-N 390.487 3.746 0 40 GHAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 20689598 ILWOTSUUSBVWIQ-ZDUSSCGKSA-N 392.908 3.523 0 40 GHAB COc1ccc2c(c1)c(C(=O)N[C@@H](c1nnc3ccccn13)C(C)C)c(C)n2C 20745700 RYJGGFGLGAZDSE-HXUWFJFHSA-N 391.475 3.665 0 40 GHAB CC1CCN(CC(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)CC1 6087128 XTBPVBRMHBUSDD-OAQYLSRUSA-N 376.928 3.869 0 40 GHAB Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)N[C@H](C)c2ccccc2)c1 8417614 PTGUTIXTJMNXKQ-GOSISDBHSA-N 396.487 3.833 0 40 GHAB COc1ccccc1-c1nnc(SCc2cnn(-c3ccccc3)c2)n1C 8723453 VKSUCDMAHMXXLB-UHFFFAOYSA-N 377.473 3.969 0 40 GHAB CCOC(=O)[C@H](NC(=O)[C@H]1CC=CCC1)c1c(C)nn(-c2ccc(F)cc2)c1C 32753613 GRQFTIOWKYJWOH-OXJNMPFZSA-N 399.466 3.705 0 40 GHAB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccc(F)c(F)c1F 2635661 JAWDORLMIRPMGR-UHFFFAOYSA-N 375.302 3.758 0 40 GHAB O=C(NCCCOCC1CC1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 32823502 YXWNXRUZCOWOAE-NRFANRHFSA-N 379.456 3.687 0 40 GHAB C[C@H](Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)C(=O)c1ccccc1 102531729 CSLIFTIOUYTAQM-SIPRGPJJSA-N 387.435 3.648 0 40 GHAB CCCOc1ccc(/C=C/C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1OC 23183768 ILCZXFIWJOXNNS-NCUBBLFSSA-N 397.471 3.796 0 40 GHAB Cc1cc(SCC(=O)N2CCN(c3ccc(O)cc3)CC2)nc2ccccc12 7990888 VTICBDMKUMMJAK-UHFFFAOYSA-N 393.512 3.690 0 40 GHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccccc2F)n2ncnc2N1 2918092 UUDIHSBAQOHFDU-LJQANCHMSA-N 377.423 3.962 0 40 GHAB Cc1cc(NC(=S)NC(=O)COc2ccccc2)ccc1-c1ccc(CO)o1 20153603 NFWKIDRIBUZPLC-UHFFFAOYSA-N 396.468 3.639 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nc1 24764250 WRQOITVIZAHOCU-GFCCVEGCSA-N 388.518 3.565 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(C)C)cc2)cc1 24988961 NONNJLPLTRFVQO-FQEVSTJZSA-N 386.517 3.910 0 40 GHAB Cc1sc2nc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)n(C)c(=O)c2c1C 24968177 QBXMGTLRCXSPFZ-NSHDSACASA-N 398.513 3.702 0 40 GHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2Br)cc1C 12521383 PCACYDYXIKKSGO-UHFFFAOYSA-N 397.294 3.825 0 40 GHAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 57695279 CZAJVKYKDMRHHS-UHFFFAOYSA-N 382.363 3.663 0 40 GHAB CC(C)CCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10326238 OECMBRRJRANCHA-MRXNPFEDSA-N 386.517 3.602 0 40 GHAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCC(C)C)cc3C[C@@H]2C)cc1 10326410 LCNNSTANIYYMCR-INIZCTEOSA-N 386.517 3.521 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 10029340 HHYWXUINQKVTGC-FQEVSTJZSA-N 399.406 3.563 0 40 GHAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1csc(Br)c1 44737473 GZSSRTNCIVCCLP-UHFFFAOYSA-N 379.279 3.964 0 40 GHAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCCC1)Nc1ccccc1Cc1ccccc1 58174711 IFMQMWHNIQKFNZ-GGAORHGYSA-N 393.531 3.900 0 40 GHAB O=C(CCCNC(=O)c1ccco1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12604032 UPYFDSGAYIGIQD-UHFFFAOYSA-N 388.427 3.972 0 40 GHAB O=C(Nc1ncc(Cc2ccccc2)s1)C1=NN(c2ccccc2)C(=O)CC1 36394497 RTSKZCKOMSKZQH-UHFFFAOYSA-N 390.468 3.855 0 40 GHAB Cc1nc(CSCC(=O)Nc2ccc(OCC(F)(F)F)nc2)cs1 36390972 PNHKSAQEJXOKPQ-UHFFFAOYSA-N 377.413 3.660 0 40 GHAB C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CCc2ccccc21 45305374 SIKQPGYHCKOGFM-AUSIDOKSSA-N 392.547 3.574 0 40 GHAB O=C(c1cc(Br)ccc1Cl)N1CCN(c2ccccc2O)CC1 3307774 GCMTZAVWUKEUIG-UHFFFAOYSA-N 395.684 3.771 0 40 GHAB COc1ccc(C(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)cc1 12741869 NLZKWIKHMCLDKF-UHFFFAOYSA-N 389.455 3.616 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1 12766591 ZOOCCQWXYLBXCO-CQSZACIVSA-N 383.517 3.905 0 40 GHAB CSCC[C@H](C(=O)N[C@H](C)CCCC(C)C)N1C(=O)c2ccccc2C1=O 12755098 LYENUFRFDDXWHM-CRAIPNDOSA-N 390.549 3.735 0 40 GHAB CN1C(=O)c2ccc(C(=O)OCc3cc(-c4ccc(Cl)cc4)no3)cc2C1=O 48262736 GSPORSXOIFKMJE-UHFFFAOYSA-N 396.786 3.578 0 40 GHAB O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCCCCC1 8181493 KLXMERNZAKEEAU-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB CCCOc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 8565913 QAEJEYOACNDXEN-SFHVURJKSA-N 382.460 3.637 0 40 GHAB CCCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccc2nccnc2c1 12981280 ITRZUMSQOLTIRI-LJQANCHMSA-N 388.427 3.836 0 40 GHAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1Nc1ccccc1 3537706 ORRXTCLAYHNESF-UHFFFAOYSA-N 377.425 3.857 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(Cl)c1 3561043 PNKBUFFWOIMBQR-UHFFFAOYSA-N 393.877 3.850 0 40 GHAB Cc1cc(NC(=O)[C@@H](OC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c2ccccc2)no1 16812228 QHQSFKZMWCXBLK-YLPFRIKTSA-N 396.443 3.601 0 40 GHAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1cnc(-c2ccccc2F)s1 63092824 BLSFDXSFGSNNDL-HNNXBMFYSA-N 378.375 3.691 0 40 GHAB COC(=O)c1sccc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 13324934 LKLIQBBBJAOSBY-UHFFFAOYSA-N 399.925 3.599 0 40 GHAB O=C1[C@H]2[C@@H](c3cccc(Cl)c3)N3CSC[C@H]3[C@@H]2C(=O)N1c1ccccc1 4060251 KRCZASBHGOCUQV-WNRNVDISSA-N 384.888 3.575 0 40 GHAB Cc1cccc2cc([C@H]3CC(c4ccco4)=NN3S(C)(=O)=O)c(Cl)nc12 4171883 GXOQVHOJFUXKPY-OAHLLOKOSA-N 389.864 3.900 0 40 GHAB CC(=O)NC1(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CCC(C)CC1 64300054 CDUBHACYHSIXPA-UHFFFAOYSA-N 379.451 3.589 0 40 GHAB O=S(=O)(c1cccc2nonc12)N(Cc1ccccc1)Cc1ccccc1 17077551 YHQUUDIZQFSCOQ-UHFFFAOYSA-N 379.441 3.614 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(-c2nn(C(C)=O)c(=S)n2C)cc1 5150861 FIFFLIXQMZSZQN-UHFFFAOYSA-N 382.445 3.539 0 40 GHAB O=C(NCCC1=CCCCC1)c1nc(-c2nc(-c3cccnc3)no2)cs1 65230582 PKZSWMSDSHRHPW-UHFFFAOYSA-N 381.461 3.875 0 40 GHAB Cn1c(-c2c(N)n(C[C@@H]3CCCO3)c3nc4ccccc4nc23)nc2ccccc21 5207848 RNJYBEZPUUHSSS-AWEZNQCLSA-N 398.470 3.899 0 40 GHAB Cc1ccc(F)cc1NC(=O)CSCc1nc2sc(C)c(C)c2c(=O)[nH]1 4485439 FINPDBKNSYRLPE-UHFFFAOYSA-N 391.493 3.921 0 40 GHAB Cc1nc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)c2c(C)c(C)sc2n1 14184946 UYTOTUJVLQUZSG-UHFFFAOYSA-N 394.544 3.874 0 40 GHAB Brc1ccc([C@H]2C[C@H](c3ccc4c(c3)OCO4)n3ncnc3N2)cc1 6590497 SZTXTKLHJQQNGD-HUUCEWRRSA-N 399.248 3.916 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1 6540998 AEATVDYRAPQSSL-QGZVFWFLSA-N 378.476 3.955 0 40 GHAB COc1cc(C)c(Br)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C 4722314 MZWJWRMESNQRRO-LBPRGKRZSA-N 396.306 3.906 0 40 GHAB O=C(NCCSCc1c(F)cccc1Cl)[C@@H]1COc2ccccc2O1 409027690 PCTBSIGSKMJQJA-KRWDZBQOSA-N 381.856 3.669 0 40 GHAB CC(C)(C)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1 6753021 XCGNWYLWYNZTDT-OAQYLSRUSA-N 391.471 3.617 0 40 GHAB O[C@H](COc1ccc(Cl)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1 22798552 UVSWZWUMODMVRM-IBGZPJMESA-N 395.330 3.551 0 40 GHAB COCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 4816651 WZFPEJNXTPFOQL-ROUUACIJSA-N 382.851 3.645 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccccc1N1CCOCC1 15038232 HIVNHBJLEGWJFM-UHFFFAOYSA-N 387.911 3.556 0 40 GHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 4935521 VIFOKFPLMNENRH-UHFFFAOYSA-N 393.468 3.891 0 40 GHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccsc3)cc2)C1 6929664 SNHKAHLHUCKCGD-GASCZTMLSA-N 392.546 3.596 0 40 GHAB O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)N1CCCCC1 5985640 NHTIGKILXKSQRW-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB FC(F)Oc1ccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)cc1 15406314 ZDEBHCKKYJSCOC-UHFFFAOYSA-N 391.399 3.613 0 40 GHAB Cc1cccc2c(=O)[nH]c(CSc3nnc(NCc4ccco4)s3)nc12 7210269 KSMARNASKMKOBT-UHFFFAOYSA-N 385.474 3.580 0 40 GHAB Cc1ccc(C(=O)COc2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1 18241098 CABIIBSBQWRQJH-PMACEKPBSA-N 377.440 3.936 0 40 GHAB CN(CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1nc2ccccc2s1 7690003 CBPQLKOGBZZROR-UHFFFAOYSA-N 383.473 3.528 0 40 GHAB CCCC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 96019444 MSQFSBSZLGKFAU-UKTHLTGXSA-N 387.288 3.946 0 40 GHAB CCO[C@H]1CCCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 72289631 OZRFGNWKWBOUPL-SFTDATJTSA-N 387.568 3.670 0 40 GHAB Cc1nc2c(n1C(C)C)CN(Cc1cnn(C)c1)CC21CCN(CC(C)C)CC1 306130421 JFXDCYUPMQBIOT-UHFFFAOYSA-N 398.599 3.511 0 40 GHAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)N(C)c2ccccc2)c1 67246389 VGOOAWJYDXQHRK-UHFFFAOYSA-N 376.460 3.575 0 40 GHAB CCNC(=O)N1CCC(NCc2ccc(COCc3ccccc3)cc2)CC1 95986433 FCSHYLBREOKTAR-UHFFFAOYSA-N 381.520 3.687 0 40 GHAB O=C(CSc1ncnc2sccc12)NCc1ccc(CN2CCCC2)cc1 9911856 CBZXCEQMMXDJJY-UHFFFAOYSA-N 398.557 3.696 0 40 GHAB C/C=C/C=C/C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 89597898 BPKUAUANMIGXQQ-KHVHPYDTSA-N 395.469 3.856 0 40 GHAB Cc1nn(C)c(C)c1[C@@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCC1 79480479 LDTDWNMMCIWODX-INIZCTEOSA-N 375.498 3.868 0 40 GHAB COC(=O)COc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1 409098969 RRNFIGLKRWICBI-NVNXTCNLSA-N 377.318 3.750 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nc(O)c(C)c(=O)n1-c1ccccc1 408894337 HPIDROHAQPHWBG-UHFFFAOYSA-N 395.484 3.594 0 40 GHAB CCCn1nccc1CNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C 36615785 GTQQFOCHQYMCOU-UHFFFAOYSA-N 394.504 3.542 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2C(=O)Cc2ccccc2)n1 72354683 AQNGWFXYGCWHDD-IBGZPJMESA-N 376.435 3.771 0 40 GHAB Cc1c(Cl)cc(F)c(NC(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)c1F 560411747 IQRPSOOYHIYZBA-ZWNOBZJWSA-N 384.814 3.702 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 38554796 YALMJSZOJMBROV-UHFFFAOYSA-N 385.855 3.579 0 40 GHAB C[C@H]1CN(C(=O)c2cccnc2Oc2ccc(Br)cc2)C[C@@H](C)O1 31807888 XUWKPGLDDIZZFS-BETUJISGSA-N 391.265 3.886 0 40 GHAB CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)NCc1ccc(Cl)cc1 44841575 ILASXBSRXQHMSH-UHFFFAOYSA-N 386.879 3.679 0 40 GHAB COc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2coc(C)n2)C1 72363256 TYYWSPPUVYFAAZ-HNNXBMFYSA-N 394.431 3.594 0 40 GHAB COc1ccccc1NC(=O)Cc1noc(COc2ccc(F)cc2Cl)n1 42367566 LLRJHMOTXNKNPW-UHFFFAOYSA-N 391.786 3.631 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 223667647 AMWHETMQMNIQKP-IBGZPJMESA-N 382.504 3.544 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)NCc2cccc3ccccc23)c(Cl)c1 222871128 GKAOMVUJMLCAJD-UHFFFAOYSA-N 388.876 3.795 0 40 GHAB Cc1nc(C(F)(F)F)ccc1NC(=O)N1C[C@@H](CO)[C@H](c2ccsc2)C1 563948504 PVYIHHYWDNWTDI-STQMWFEESA-N 385.411 3.710 0 40 GHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 223999324 YWWPQFFURAIBRS-RBUKOAKNSA-N 379.441 3.889 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1F 225457617 ZRSVDGXCSLGFGO-ZWKOTPCHSA-N 384.495 3.743 0 40 GHAB CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 224022722 UQXATYVZPOJHLN-KRWDZBQOSA-N 380.554 3.726 0 40 GHAB CSc1ccc([C@H]2[C@@H]3C(=O)N(CC(C)C)C(=O)[C@@H]3ON2c2ccccc2)cc1 135842449 LCXVJDNUTWFYDK-SLFFLAALSA-N 396.512 3.911 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 225133089 ASDQMUJDYIQDDN-NRFANRHFSA-N 382.504 3.707 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 223594149 VDHUGHCNOHPIOG-SFHVURJKSA-N 384.545 3.949 0 40 GHAB O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCS/C1=C/c1cccs1 225234018 SLPKYKZQBGQUBF-GZTJUZNOSA-N 380.494 3.807 0 40 GHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224958465 HLIRYXDYHQTLSG-UHFFFAOYSA-N 387.505 3.691 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O 96562258 MQVLUYIRNWCZDK-JASJWYONSA-N 388.420 3.604 0 40 GHAB O=C(CN1C(=O)N/C(=C/c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 97552347 HMPNYPICTVOOBI-OQLLNIDSSA-N 390.226 3.525 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cccc(C)c2)CC1 243386450 MJQNTMQPSJMTKT-UHFFFAOYSA-N 382.460 3.503 0 40 GHAB Cc1cnn(CC(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)c1 257246531 IUNSWPQPCNZWNX-SFHVURJKSA-N 384.867 3.787 0 40 GHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(Cc1cncs1)C3 257332702 XYIBALSSVKXAJA-FUHWJXTLSA-N 386.517 3.903 0 40 GHAB CCc1nccn1CC(=O)N1CCC[C@]1(C)c1ncc(Cc2cccc(F)c2)o1 257328863 XHKGIUVUQONRDS-JOCHJYFZSA-N 396.466 3.701 0 40 GHAB O=S(=O)(O)c1cccc(-n2nc(-c3ccccc3)c(-c3ccccc3)n2)c1 255188722 LDXVNWGHWPPXHO-UHFFFAOYSA-N 377.425 3.848 0 40 GHAB CN1CCCN(C(=O)c2c3ccc(Br)cc3nn2C)c2ccccc21 648294354 ZAUMTFAZZMMHIO-UHFFFAOYSA-N 399.292 3.823 0 40 GHAB O=C(NCc1ccc(-c2cccnc2)cc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 681794051 SKNGCNJDLKTCRD-XMMPIXPASA-N 398.466 3.554 0 40 GHAB CN(C)C(=O)N1CCC(C(=O)NCCc2ccc(C3CCCCC3)cc2)CC1 617406356 POBGMBCZBXHKAV-UHFFFAOYSA-N 385.552 3.787 0 40 GHAB Cc1nc2ccccc2nc1N1CCC(C(=O)NCCc2cccs2)CC1 63282115 LLUUGNDCUQMMBB-UHFFFAOYSA-N 380.517 3.575 0 40 GHAB CCCC(O)(CCC)CNC(=O)c1cc(OC)c(Br)c(OC)c1 72292944 CLBWMCVWSKVWKK-UHFFFAOYSA-N 388.302 3.527 0 40 GHAB Cc1nc2c(O[C@H]3CCOc4cc(F)cc(F)c43)cc(C(=O)N(C)C)cc2[nH]1 168859502 CLIQCDHNPDMGSL-HNNXBMFYSA-N 387.386 3.754 0 40 GHAB CCOC(=O)c1csc([C@H]2C[C@H](C(C)C)N([S@@](=O)C(C)(C)C)CO2)n1 197114148 MJUCCZCSCZYKTM-IEBYYPBYSA-N 388.555 3.528 0 40 GHAB C[C@@H]1CN(C(C)(C)CNc2nc(C(F)(F)F)nc3ccccc23)C[C@@H](C)O1 1611764401 DNXBJVPGMDHINI-CHWSQXEVSA-N 382.430 3.948 0 40 GHAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1 1001800 ZYFGZEDELZGBOU-KPKJPENVSA-N 384.501 3.759 0 40 GHAB CN1CCN(c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CC1 5089661 YVIBTPBYFSPVOK-UHFFFAOYSA-N 377.410 3.638 0 40 GHAB Cc1nnc2sc(-c3ccc(CNC(=O)c4cccc(Cl)c4)cc3)nn12 12650871 QDZAOKJYBQBDPH-UHFFFAOYSA-N 383.864 3.745 0 40 GHAB CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715180 SLZHFEZOLAWQRY-GOSISDBHSA-N 378.469 3.626 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)CSc2ccccc2NC(C)=O)c1 14152462 JABMOSDUSPBXCT-UHFFFAOYSA-N 392.864 3.816 0 40 GHAB S=C(NC1CCCCC1)N[C@H]1CCCC[C@H]1NC(=S)NC1CCCCC1 16137860 ANSKRXUDBPKGQJ-HDICACEKSA-N 396.670 3.891 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)NCCCCCCNC(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 19075027 ZGNMFAMKAOVBEO-FGYAAKKASA-N 394.604 3.922 0 40 GHAB CC(C)Oc1cccc(CN2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c1 19450846 WKFMADNTLUMHQE-UHFFFAOYSA-N 380.536 3.631 0 40 GHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)CC)C1 19498457 CMWITTXHRJCISR-DEOSSOPVSA-N 378.516 3.969 0 40 GHAB COc1ccc([C@@H](NC(=O)c2ccc(Cn3cncn3)cc2)c2ccccc2)cc1 19553353 GTWJURAIZQQBNY-QHCPKHFHSA-N 398.466 3.854 0 40 GHAB CC(C)c1csc(NC(=O)c2cc(N3CCOCC3)nc3ccccc23)n1 19718092 HJFJKTFTKAZHIB-UHFFFAOYSA-N 382.489 3.904 0 40 GHAB Cc1noc(C)c1CCC(=O)NCC1(c2ccc([C@@H](C)O)s2)CCCC1 225681204 OXMYIOORJGQCTC-CQSZACIVSA-N 376.522 3.967 0 40 GHAB Cc1ncsc1C(=O)N1CCC(CN(C)c2cc(C(F)(F)F)ccn2)CC1 1888853811 WDJGXTFGUZDZEX-UHFFFAOYSA-N 398.454 3.854 0 40 GHAB COc1cccc(NC(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)c1 1888876105 NQOBJTYATQNMMK-UHFFFAOYSA-N 395.385 3.612 0 40 GHAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cc2ccccc2oc1=O 1889071893 IWZWVQDEYWKLPV-OAHLLOKOSA-N 381.409 3.578 0 40 GHAB COc1ccc(C(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)cc1OC 238842899 HYFUAMYELRKGSL-KRWDZBQOSA-N 378.428 3.546 0 40 GHAB Cc1cc(C)cc(-n2ccnc2SCC(=O)NCc2ccc3c(c2)OCO3)c1 2723114 IXTOSGORWUUVNW-UHFFFAOYSA-N 395.484 3.626 0 40 GHAB Cc1ccc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)cc1 4164379 KWKMLNRMVLIDSE-UHFFFAOYSA-N 393.447 3.970 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4373888 WAKBLYODQIVZFV-CQSZACIVSA-N 381.329 3.772 0 40 GHAB Cc1nc2c(=O)n(CC(=O)Nc3ccccc3)nc(-c3cccs3)c2s1 8955974 RQCUFDLAKLENSY-UHFFFAOYSA-N 382.470 3.529 0 40 GHAB COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)nc12 10253506 LCUBIYUJCORTOJ-UHFFFAOYSA-N 390.486 3.739 0 40 GHAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1ccccc1)Nc1ccc(F)cc1 101113854 CDTJCZNIRNZOIQ-LHLOQNFPSA-N 388.402 3.650 0 40 GHAB O=C(CN1CCN(c2cccc(Cl)c2)C1=O)Nc1cccc2cccnc12 49026226 UFHFJJDMBDDSIW-UHFFFAOYSA-N 380.835 3.769 0 40 GHAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H](C)Nc3ncnn32)cc1 36701549 WPDARXISPCFSHX-RYGJVYDSSA-N 391.475 3.562 0 40 GHAB CC[C@@H](Sc1ncnc2[nH]cnc12)C(=O)Nc1ccc(Br)cc1 13572009 RKVGNNWVEWDNSK-LLVKDONJSA-N 392.282 3.625 0 40 GHAB O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1cc(Cl)ccc1F 40090627 IZUBRZDISGDAOL-UHFFFAOYSA-N 376.815 3.733 0 40 GHAB CCCCCCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100049931 WCUKQXBTWNWPSN-DKKFBQAASA-N 385.460 3.885 0 40 GHAB CCN(CC(=O)NC)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 40118814 WILSMNSUXSPZHR-UHFFFAOYSA-N 399.541 3.797 0 40 GHAB C[C@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-n2ccnc2)cc1 8012681 MSSLBDVYBPIQMK-JTSKRJEESA-N 391.471 3.921 0 40 GHAB COc1ccc(-c2nnc(C(C)=O)n2Nc2ccc(Br)cc2)cc1 36649191 SBUYDADQPLJKIN-UHFFFAOYSA-N 387.237 3.794 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2cccnc2)cc1C 1362390 FAXSOQMUSMQLRY-UHFFFAOYSA-N 395.532 3.810 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccccc2OC)cc1 1506027 LICPGYOLIULRMR-GOSISDBHSA-N 379.503 3.530 0 40 GHAB O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1ccc2c(n1)CCCC2 89774692 WMIKXOJWJQHOIA-UHFFFAOYSA-N 382.851 3.636 0 40 GHAB Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)N[C@H]2CCCC[C@H]2C)cc1 8120889 VUTDZMUYJRVSPL-QRWLVFNGSA-N 383.492 3.563 0 40 GHAB Brc1cc(Br)c(OC[C@@H]2CO2)c(Br)c1 3122836 NXJGWHGJPITYOJ-LURJTMIESA-N 386.865 3.752 0 40 GHAB COc1ccc(CC(=O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1Br 4061433 RAHXPBOALFIWID-DOTOQJQBSA-N 396.325 3.808 0 40 GHAB biogenic Cc1c(Cl)cccc1NC(=O)CN1CCC(NC(=O)C2CCCCC2)CC1 4909229 MMEFEALLGXOPSH-UHFFFAOYSA-N 391.943 3.748 0 40 GHAB CCCNC(=O)Cn1c(C(=O)OC(C)C)cc2c1ccn2-c1ccc(F)cc1 4932178 XEQXCNXAYKUNLJ-UHFFFAOYSA-N 385.439 3.663 0 40 GHAB CCc1ccc(OCC(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 6354110 RCBKNXMYFHXNMX-UHFFFAOYSA-N 397.500 3.713 0 40 GHAB COc1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(C)=O)cc2)c1 6746527 PRXXGLFDYOCZRO-IBGZPJMESA-N 381.432 3.533 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(F)c2)ccc1C 7813920 STZIGIREWHCWOF-UHFFFAOYSA-N 378.469 3.725 0 40 GHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cccc(C(=O)O)c2)CC1=O 7928191 RMQUWSOMFQIIGK-QGZVFWFLSA-N 380.444 3.501 0 40 GHAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cccc(C)c4)c3)nn12 10010195 WEKFZQAKICCGSX-UHFFFAOYSA-N 393.472 3.985 0 40 GHAB Brc1ccc(-c2nnc(CSc3nnc4n3CCCCC4)o2)o1 89799897 YZMVJUSUCMSTDQ-UHFFFAOYSA-N 396.270 3.702 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCC2)N(Cc1cccs1)C[C@H]1CCCO1 8059765 GAEVUPHDWWFELW-QGZVFWFLSA-N 377.531 3.607 0 40 GHAB CN1CCN(CCCNC(=O)CCCc2cccs2)[C@@H](c2ccccc2)C1 32818682 IQIBSPPCRBSTBK-OAQYLSRUSA-N 385.577 3.566 0 40 GHAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@H]2CCOCO2)cc1 8131841 PWNCAPFDMNTODL-GOSISDBHSA-N 385.464 3.852 0 40 GHAB CC(C)c1ccc(NC(=O)c2cc(C(C)C)n([C@H]3CCS(=O)(=O)C3)n2)cc1 11997113 DOTBGEVSOPMNTP-KRWDZBQOSA-N 389.521 3.742 0 40 GHAB COc1cccc(-c2cc(C(=O)NCc3cccc(Br)c3)n[nH]2)c1 51315922 YZJNEASXJVDQSR-UHFFFAOYSA-N 386.249 3.778 0 40 GHAB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1 102775740 PCPBOQMHDAXSPD-RAUXBKROSA-N 377.440 3.655 0 40 GHAB Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cn(-c2ccccc2)nn1 102724427 BKUOVRRHKLQALV-NRFANRHFSA-N 398.470 3.950 0 40 GHAB CCn1c(SCC(=O)Nc2cc(C)no2)nnc1-c1cccc(Cl)c1 22240861 REGAAVLMXBNHHK-UHFFFAOYSA-N 377.857 3.646 0 40 GHAB COc1ccccc1NC1=N[C@H](c2ccc(Cl)cc2)n2c(nc(C)cc2=O)N1 101391979 JPBIIMQMFVNWMC-SFHVURJKSA-N 395.850 3.654 0 40 GHAB NC(=O)[C@H](NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 53945088 CCUYKEXHPKRYCU-HXUWFJFHSA-N 387.464 3.920 0 40 GHAB O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)Nc1ccccc1F 23126442 IKBNICXFGDVUOM-UHFFFAOYSA-N 379.416 3.903 0 40 GHAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1noc2c1CCCC2 12314603 BXFVFDQJHVSUNU-MRXNPFEDSA-N 398.413 3.825 0 40 GHAB COc1cc2ccccc2cc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 21842074 QMMOZERNZRIOHJ-LJQANCHMSA-N 396.512 3.713 0 40 GHAB O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCSc2ccc(F)cc21 24752564 KSEOGCNPHMXSSI-QGZVFWFLSA-N 398.459 3.555 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2cc(C)nc3c2nc2n3CCCCC2)c1C 24842227 GVGAMDVPRBDOQQ-UHFFFAOYSA-N 391.475 3.985 0 40 GHAB O=C1CCC(=O)N1Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 12550851 ZTXAIDQSXDFHGW-UHFFFAOYSA-N 399.450 3.578 0 40 GHAB O=C(NC[C@H]1CCCO1)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1 24987094 IVTIBBUGBZGLKI-CYBMUJFWSA-N 389.427 3.788 0 40 GHAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)OCC(=O)c1cc(C)sc1C)(C3)C2 102399698 BIIBLEVIIICQLI-RKAKKKFESA-N 389.517 3.566 0 40 GHAB O=C(Nc1nccs1)N1CCc2[nH]c3c(Br)cccc3c2C1 56517270 KZTAYPIKJYBBIK-UHFFFAOYSA-N 377.267 3.977 0 40 GHAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3Cl)CC2)cc1C 57486193 MOLGKPFKJREWBX-UHFFFAOYSA-N 399.922 3.662 0 40 GHAB CCc1nc2ccccc2n1C[C@@H](O)COc1cccc(Br)c1 12602778 DVYBYHYYQGYDEW-CQSZACIVSA-N 375.266 3.801 0 40 GHAB CNC(=O)NC(=O)[C@@H](OC(=O)c1sccc1-c1ccccc1)c1ccccc1 10986753 FDGUQPMHEJLQMX-KRWDZBQOSA-N 394.452 3.769 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cc3ccccc3o2)CC1 12747895 OGZFIPAXQGGJBR-UHFFFAOYSA-N 391.423 3.939 0 40 GHAB O=C(Nc1cccc(Cn2cccn2)c1)N(Cc1cccnc1)C[C@@H]1CCCO1 48235246 GAFKFADNGIXCMM-NRFANRHFSA-N 391.475 3.540 0 40 GHAB CSc1ncc(Cl)c(C(=O)NCCc2ccc(Br)s2)n1 12907010 ATFCSBCILNMNHB-UHFFFAOYSA-N 392.731 3.648 0 40 GHAB CSc1nc2nc(C)c(CC(=O)Nc3cccc(Cl)c3C)c(C)n2n1 12979132 RVGQBZDBXHTAEM-UHFFFAOYSA-N 375.885 3.606 0 40 GHAB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)S3)cc1 3653493 CYKSRLRPAGGNMY-UHFFFAOYSA-N 385.422 3.585 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)CCCc3nc4ccccc4s3)cc2NC1=O 13002743 JDQUFAVZBCUFRR-LBPRGKRZSA-N 381.457 3.977 0 40 GHAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1cnc2ccccc2n1 8395440 KUGUQHXKGPJCFZ-UHFFFAOYSA-N 396.863 3.815 0 40 GHAB CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc(C(N)=O)c1C 6047144 GTQUVHSZUMSGPG-UHFFFAOYSA-N 388.489 3.882 0 40 GHAB Cn1c(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)nnc1C1CC1 5080824 KPPOFEXQPZYCSF-UHFFFAOYSA-N 392.484 3.920 0 40 GHAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3C)nc2O)cc1 4317353 JHEQKMVSMOQURO-UHFFFAOYSA-N 394.500 3.824 0 40 GHAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)o1 65540520 GAAOQJHHUSVHNN-FZMZJTMJSA-N 381.881 3.732 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(C)c(C)c3)sc2c1 4689125 DMJMUTRCGDQNFN-UHFFFAOYSA-N 398.513 3.998 0 40 GHAB O=C1c2ccccc2C(=O)N1CCCCn1cc(C(F)(F)F)cc(Cl)c1=O 14706740 BCEOBFQEUMWABV-UHFFFAOYSA-N 398.768 3.597 0 40 GHAB CCCCn1nnnc1COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 6940673 WGBAQHCZGBMNSL-UHFFFAOYSA-N 396.476 3.539 0 40 GHAB Cc1cc(NC(=O)N[C@@H](C)c2ccccc2NS(C)(=O)=O)c2ncccc2c1 92146703 PLJSNXIUBXYLDG-AWEZNQCLSA-N 398.488 3.797 0 40 GHAB Cn1c(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)nnc1C1CC1 7427006 BYKHXGOBIAQZKE-LJQANCHMSA-N 392.528 3.885 0 40 GHAB CC(=O)c1cn(CC(=O)NCc2cc3c(cc2C)OCCCO3)c2ccccc12 15867255 JCVCDKMVBVNVRP-UHFFFAOYSA-N 392.455 3.630 0 40 GHAB COCCn1c(SCC(=O)Nc2cccc3ncccc23)nc2ccccc21 8744849 OLUGBEYOXVYKHC-UHFFFAOYSA-N 392.484 3.962 0 40 GHAB C[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc(F)cc1F 16493473 TZSSVFQTANQIAB-JTQLQIEISA-N 391.399 3.687 0 40 GHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3O)[C@@](O)(C(F)(F)F)[C@H]2C1 409103642 DQSWRRAAEPVBHN-YNKQFZHNSA-N 384.398 3.917 0 40 GHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 306132617 LNWROMASFRUGQM-TZIWHRDSSA-N 383.444 3.841 0 40 GHAB CC(C)(C)c1ccc(-c2nc3[nH]c(=O)cc(NC(=O)C4CCCCC4)n3n2)cc1 9108903 WRCIWDLZKRTUJV-UHFFFAOYSA-N 393.491 3.901 0 40 GHAB CC(=O)Oc1ccc2ccccc2c1/C=c1/sc2nc3ccccc3n2c1=O 408916256 AICRKAPLJYGWLX-UDWIEESQSA-N 386.432 3.535 0 40 GHAB Cc1ccc(NC(=O)Cc2noc(-c3cccnc3OCC(F)(F)F)n2)cc1 93888313 IKJWIJGYTXJTIK-UHFFFAOYSA-N 392.337 3.562 0 40 GHAB CCOc1ccc2[nH]c(=O)c([C@H]3CC(c4cccc(C)c4)=NN3C(C)=O)cc2c1 97165224 RKPNKXOKMFSKOI-JOCHJYFZSA-N 389.455 3.933 0 40 GHAB Fc1ccc(OCc2noc(CSc3nnc(-c4ccncc4)o3)n2)cc1 84419135 MFVJBOIAXCIUCM-UHFFFAOYSA-N 385.380 3.525 0 40 GHAB CC(=O)N1CCC(C(=O)NCc2cc3ccccc3o2)(c2ccccc2)CC1 84718300 WCLISFBQIGZJPW-UHFFFAOYSA-N 376.456 3.629 0 40 GHAB Cc1cc([C@@]2(C)NC(=O)N(Cc3nc(-c4cccs4)oc3C)C2=O)c(C)o1 78404028 UAKPBWZAWIKLES-LJQANCHMSA-N 385.445 3.889 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@@H]1CCO[C@]2(CCOC2)C1 95457743 VVWVUWPJKNMVKE-YLJYHZDGSA-N 375.900 3.570 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H](N2CCc3ccccc3C2)C1 408613596 YPQXOADTWNIFBX-IBGZPJMESA-N 390.936 3.551 0 40 GHAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CN(Cc3cccc(F)c3)C[C@H]21 306127010 FLJLGRLPYUUMSH-RBBKRZOGSA-N 394.471 3.643 0 40 GHAB Cc1cc2ncn(C[C@H](NC(=O)c3cccc(CN(C)C)c3)C3CC3)c2cc1C 79045744 LUZHLYSRHYLCRP-QFIPXVFZSA-N 390.531 3.923 0 40 GHAB Cc1ccn(-c2ccc(NC(=O)[C@H](C)n3nc(C(F)(F)F)cc3C)cc2)n1 28241234 PTSXYOKTWIOIGR-ZDUSSCGKSA-N 377.370 3.904 0 40 GHAB CCCCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1 408629034 IRJZONHPKQKWFE-UHFFFAOYSA-N 395.503 3.786 0 40 GHAB CCN(CC)CCNC(=O)c1ccc(COc2ccccc2Br)o1 32502467 GBCXALYWFFKBRU-UHFFFAOYSA-N 395.297 3.693 0 40 GHAB CCCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 33609440 IYIYMUQYBJHYPP-UHFFFAOYSA-N 394.468 3.555 0 40 GHAB O=c1c2nccnc2nc(SCc2ccccc2F)n1Cc1ccc(F)cc1 6818665 SJSZYQKZXZHPMZ-UHFFFAOYSA-N 396.422 3.805 0 40 GHAB O=C(Nc1ccc(F)cc1F)c1cn(-c2cccc(Br)c2)nn1 32815791 XMWAQWJKAKDMJP-UHFFFAOYSA-N 379.164 3.560 0 40 GHAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 33570577 OFXWXCWPFUWHIE-HNNXBMFYSA-N 394.427 3.624 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1cccc(OC)c1 219308722 YUZGBYLYOJVXNV-CYBMUJFWSA-N 387.461 3.623 0 40 GHAB CCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(OC)cc2)cc1 41058396 DVMKWSZPZMUQRP-FQEVSTJZSA-N 384.476 3.877 0 40 GHAB COc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)c(OC)c1 44421818 ZYGHOHBYWTZZSG-GFCCVEGCSA-N 399.834 3.928 0 40 GHAB CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)Nc2nnc(C3CC3)s2)s1 40283205 PVAQCVBUCIPEDX-UHFFFAOYSA-N 393.538 3.832 0 40 GHAB Cc1ccccc1CS(=O)(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225154167 OVAFEKKOYOZMTF-UHFFFAOYSA-N 376.503 3.894 0 40 GHAB Cc1cccc(N(CC(=O)N(C)C2CCCC2)S(=O)(=O)c2ccccc2)c1 44947334 DINWAJWMCUYCGE-UHFFFAOYSA-N 386.517 3.591 0 40 GHAB COc1cc(NC(=O)NC[C@@H](c2cccs2)N(C)C)c(OC)cc1Cl 43449664 QJIQKJHWBOJXOG-ZDUSSCGKSA-N 383.901 3.843 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 224739894 VFNOICKMIHALJZ-NRFANRHFSA-N 384.495 3.948 0 40 GHAB O=C([C@@H]1COc2ccccc2O1)N(CCc1cccs1)Cc1cccnc1 77183802 XGTLXIOINDCGLP-FQEVSTJZSA-N 380.469 3.554 0 40 GHAB COc1ccc(CC(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1OC 222939006 IVOSBNQMBOUVRA-LBPRGKRZSA-N 390.277 3.987 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 225043589 LUVXUSAROLZJPT-OALUTQOASA-N 396.531 3.878 0 40 GHAB CC(=O)N[C@]1(C)C[C@H](c2ccc(N3CCCC3=O)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257216684 CVRBLIMRYSZTKY-LBZJANNGSA-N 384.520 3.974 0 40 GHAB Cc1ccc(C(=O)N2CC[C@@H](Cc3cccc(-c4c(C)noc4C)n3)C2)cn1 257256405 KLJCZBIGZPUESS-KRWDZBQOSA-N 376.460 3.762 0 40 GHAB CCc1ccc([C@@H]2CCCN(C(=O)c3cnc4c(cnn4C)c3OC)C2)cc1 585082179 WUSLUCUWZHDCPW-QGZVFWFLSA-N 378.476 3.559 0 40 GHAB CN1C[C@H]2CN(C(=O)NCC3(c4cccc(C(F)(F)F)c4)CCCC3)C[C@H]2C1 1683021926 VIUNOZUUKZAHNI-IYBDPMFKSA-N 395.469 3.720 0 40 GHAB C[C@H]1OCCN(C(=O)Nc2ccc(-c3ncco3)cc2)[C@@H]1c1nc(C2CC2)no1 656532246 CWBFYXOOCCWZJZ-WBMJQRKESA-N 395.419 3.596 0 40 GHAB Cc1c(C(=O)N2CCC[C@@H](C3CCNCC3)C2)cnn1-c1ccc(Cl)cc1 662600708 VISPKXWKJKLMBD-QGZVFWFLSA-N 386.927 3.686 0 40 GHAB Cc1ccccc1-n1nc2cc(Br)c(N)c(Br)c2n1 575415118 RTROXJHUPSTUJB-UHFFFAOYSA-N 382.059 3.836 0 40 GHAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)n2)s1 585262488 BEGUZUWXWYJNDG-CQSZACIVSA-N 376.482 3.899 0 40 GHAB C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1[C@H](C(=O)O)c1cccnc1 629379900 ZEWCUGDDRDLEQI-VMGRFDJRSA-N 375.266 3.848 0 40 GHAB COc1ccc(OCC(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 5444655 WMJBMNBISBTQLR-AYOQOUSVSA-N 378.465 3.621 0 40 GHAB C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1nc(-c2ccncc2)n[nH]1 12114853 HSLKPBBPQBKARM-CYBMUJFWSA-N 381.867 3.819 0 40 GHAB O=C(c1ccco1)N1CCC2(CC1)C[C@]1(CO2)Nc2ccccc2-n2cccc21 12120928 JJEHIAPCACEBCW-HSZRJFAPSA-N 389.455 3.786 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1CCC(c2noc(-c3cccnc3)n2)CC1 12186953 CFHQIRRRNFQEQV-UHFFFAOYSA-N 382.851 3.734 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 13040694 DUIWXZQGRCHBMF-CYBMUJFWSA-N 388.851 3.657 0 40 GHAB Cc1cnc(C(=O)N2CCC(c3nc(C)cc(-c4ccsc4)n3)CC2)cn1 19118636 HXNOJXPFWLCZHT-UHFFFAOYSA-N 379.489 3.632 0 40 GHAB Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 19214605 VDNGNESNRRWVFW-IAGOWNOFSA-N 390.487 3.653 0 40 GHAB COCCCN(Cc1ccc2c(c1)C[C@@H](C)O2)C(=O)c1cn2cc(C)ccc2n1 19234337 YEBDOXFRJOWVDM-QGZVFWFLSA-N 393.487 3.645 0 40 GHAB CCC(=O)N1CCC[C@@](Cc2ccc(-c3ccc(OC)cc3)cc2)(C(=O)NC)C1 19498583 QZEXNAPVMHEFAR-DEOSSOPVSA-N 394.515 3.670 0 40 GHAB CCn1cc(CCC(=O)N2CCc3onc(Nc4ccccc4F)c3C2)c(C)n1 19524485 PDJCXTNRBSSMOO-UHFFFAOYSA-N 397.454 3.600 0 40 GHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCC2)C1 19591386 HPCHDDYNIVFIMV-XMMPIXPASA-N 394.490 3.800 0 40 GHAB CC[C@@H](NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)cc1 19933798 GFSGXBZZLSZIIP-HXUWFJFHSA-N 388.533 3.645 0 40 GHAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3cc(OC)cc(OC)c3)n2C)cc1 8332392 NIAYKTPVVYEBKW-DQRAZIAOSA-N 398.484 3.829 0 40 GHAB CC(C)c1oc([C@H]2CCCN2C(=O)CNC(=O)C2CC2)nc1-c1ccccc1 607038996 CFKCJRCVWCJKTL-QGZVFWFLSA-N 381.476 3.655 0 40 GHAB Cc1nc2cc(C(C)(C)C)nn2c(N2CCC[C@](O)(c3cccnc3)CC2)c1C 19555684 JYZKHSWZJYBXDL-HSZRJFAPSA-N 393.535 3.917 0 40 GHAB O=C(CSC1=Nc2ccccc2CS1)NC[C@@H]1COc2ccccc2O1 5325747 JSXFOVDEMCMTAI-CQSZACIVSA-N 386.498 3.610 0 40 GHAB CN(C)[C@@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccc(F)c1 32674757 DTSHQCQNFFZYFS-QFIPXVFZSA-N 392.478 3.922 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@@]3(CCCN(Cc4cccnc4)C3)C2)s1 2056223590 UQAQWPZBWCLWSI-OAQYLSRUSA-N 384.549 3.673 0 40 GHAB Cn1ccnc1SCc1cc(=O)c(OC(=O)c2c(F)cccc2Cl)co1 4251353 JWDQMYZKFAEIAZ-UHFFFAOYSA-N 394.811 3.677 0 40 GHAB COc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 5071460 HIAAPHMYJBWNMH-LJQANCHMSA-N 399.512 3.950 0 40 GHAB Cc1ccc2sc(N(Cc3ccccn3)C(=O)C3=COCCO3)nc2c1C 5265438 OYLJBXDLVPEGGP-UHFFFAOYSA-N 381.457 3.730 0 40 GHAB COCCn1cc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 5266299 ADXUIWTZQJOVOM-UHFFFAOYSA-N 396.466 3.781 0 40 GHAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 9173605 OHLHDGCQEWYDEN-UHFFFAOYSA-N 388.489 3.968 0 40 GHAB O=S(=O)(Cc1ccccc1F)Nc1ccccc1-c1cn2c(n1)CCCC2 575619196 INBAMLJYBUCAPR-UHFFFAOYSA-N 385.464 3.967 0 40 GHAB CCCCn1c(O)c(C(=O)Nc2ccccc2C(=O)OC)c(=O)c2ccccc21 5890743 VIRWACCRKGBCQO-UHFFFAOYSA-N 394.427 3.546 0 40 GHAB Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3nnc4n3CCCCC4)cc2nc1C 40080288 JXLPBHVCALKEND-LJQANCHMSA-N 390.491 3.542 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1cccc(NC(=O)c2ccco2)c1)c1cccs1 11202125 XUBJDXOJUHOKJG-INIZCTEOSA-N 397.456 3.799 0 40 GHAB COc1ccc(C(=O)N(CC(C)C)c2nnc(-c3cccnc3)s2)cc1OC 1356908 CXKQXRGCRVSTOD-UHFFFAOYSA-N 398.488 3.920 0 40 GHAB CSCC[C@H](NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)C(=O)O 32075001 PJGCEJBXBLECFB-KRWDZBQOSA-N 382.485 3.631 0 40 GHAB COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccccc1 2415149 IQEKHERQLRQZFS-UHFFFAOYSA-N 399.450 3.539 0 40 GHAB CCc1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1-n1cccc1 4518506 FYEFHAYLTOKYHL-UHFFFAOYSA-N 396.303 3.991 0 40 GHAB COc1ccccc1CN1C(=O)c2ccccc2N[C@]12C(=O)N(C)c1ccccc12 101645079 SJXURYMXFZXAHR-DEOSSOPVSA-N 399.450 3.593 0 40 GHAB COc1cc2c(cc1NC(=O)[C@H]1CS[C@@]3(C)CCC(=O)N13)oc1ccccc12 6945715 VRJOQLCNKQSRKM-VFNWGFHPSA-N 396.468 3.987 0 40 GHAB CC1CCN(S(=O)(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1 32759347 HJVJZZQLEFEQQE-IBGZPJMESA-N 376.547 3.672 0 40 GHAB Cc1cccc(OCCNC(=O)COc2ccc(Br)cc2)c1C 41156739 OGQWQFOFTOAJDR-UHFFFAOYSA-N 378.266 3.640 0 40 GHAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 2632951 MWGRNZHMYMDPID-UHFFFAOYSA-N 386.835 3.944 0 40 GHAB CC(C)CCn1c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nc2ccccc21 32950429 UJQQFULTXXJEEQ-HZPDHXFCSA-N 375.538 3.810 0 40 GHAB CCN(C(=O)Cc1csc(NC(=O)Cc2cccs2)n1)c1ccccc1 33158519 HOBWEZULYIPATL-UHFFFAOYSA-N 385.514 3.981 0 40 GHAB CCOC(=O)c1c(C)nc2cc(C(=O)Nc3cccc(Cl)c3C)nn2c1C 2744140 FHVPHQQMTGWQEE-UHFFFAOYSA-N 386.839 3.737 0 40 GHAB O=C(c1ccc2[nH]nnc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21866776 OKDUUIMQXJZJAE-UHFFFAOYSA-N 397.482 3.505 0 40 GHAB Cc1ccc(-c2nnn(CC[S@](=O)c3cc(Cl)ccc3Cl)n2)cc1 60816334 XHXLMQNSFNOJBF-XMMPIXPASA-N 381.288 3.763 0 40 GHAB COc1ccc(CCNCc2cc(Br)c3c(c2)OCO3)cc1OC 22772774 AKOKQVHTEWTABH-UHFFFAOYSA-N 394.265 3.527 0 40 GHAB Cc1ccn(C(=O)C2=NN(c3ccccc3)C(=O)CC2)/c(=N/C2CCCCC2)c1 23199047 YQURUJLRGHMZMM-DARPEHSRSA-N 390.487 3.853 0 40 GHAB COc1ccccc1Oc1nc(CN2CCOCC2)nc2sc(C)c(C)c12 23908630 UCQURTCKBBMCSS-UHFFFAOYSA-N 385.489 3.941 0 40 GHAB CC(C)(C)OC(=O)N(CCCNC(=O)c1cccs1)Cc1cccnc1 54776070 JHXOPDQDESBTRP-UHFFFAOYSA-N 375.494 3.700 0 40 GHAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(N2CCOCC2)nc1 24259956 AIOZIXHAVVGIBN-INIZCTEOSA-N 389.908 3.539 0 40 GHAB Cc1ccc(Nc2nnc(SCc3ccco3)n(-n3cccc3)c2=O)cc1 28536168 WTECZIXWAMFASE-UHFFFAOYSA-N 379.445 3.689 0 40 GHAB Cc1c(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cnn1-c1ccccc1F 55562863 NIHQBMXHOMUHHS-UHFFFAOYSA-N 394.450 3.958 0 40 GHAB C[C@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc(-n2ccnc2)cc1 12547615 WDPCSMVCMZHRMM-YOEHRIQHSA-N 381.863 3.954 0 40 GHAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN(C/C=C/c2ccccc2)CC1 21841918 ZETRQNCQVQSOHP-OEMHODTASA-N 395.522 3.504 0 40 GHAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCN(c2cccc(Cl)c2)CC1 26530535 VGZOERAUNUMCGT-UHFFFAOYSA-N 394.906 3.807 0 40 GHAB CC(C)[C@H]1CCCN1c1ccc(NC(=O)[C@H](C)OC[C@H]2CCCO2)cc1F 108169294 NRTCUIFZUZOKJG-KVSKMBFKSA-N 378.488 3.973 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c(-c2cccc(Cl)c2)n1 57527005 AYIXIXUMUXYZFG-UHFFFAOYSA-N 393.874 4.000 0 40 GHAB CCN(CC)Cc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)o1 58169173 RVLMILODQITELG-UHFFFAOYSA-N 399.491 3.761 0 40 GHAB COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)cc1 3285833 YZGJDMWQNCUULF-RTWAWAEBSA-N 392.499 3.707 0 40 GHAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Br)s1 36062817 FTOPZZUYCFWUFH-UHFFFAOYSA-N 383.658 3.997 0 40 GHAB COc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N(C)C)cc1 28289385 JSVOUICCHCYESV-NRFANRHFSA-N 384.520 3.791 0 40 GHAB Cc1cc(C(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)c2c(C)nn(C)c2n1 17080733 HYVSPLBCBPAURH-UHFFFAOYSA-N 394.866 3.736 0 40 GHAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)c1ccc2c(c1)CCO2 12853877 ASZAUUSWLSESQE-UHFFFAOYSA-N 388.448 3.943 0 40 GHAB CSc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 24006877 AIXNCQXYYLNQBF-UHFFFAOYSA-N 390.530 3.754 0 40 GHAB COc1ccccc1C(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C 3656279 CHLTWXDJFHKPIV-UHFFFAOYSA-N 379.445 3.731 0 40 GHAB CCCCc1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 408604733 FOZFYUYMNRPGEH-UHFFFAOYSA-N 392.496 3.569 0 40 GHAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCc3ccncc3)c(C)c12 4000464 OGEVVVTUAAUNBK-UHFFFAOYSA-N 376.412 3.718 0 40 GHAB biogenic COc1cccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c1 5060278 JSAILMAGPQJFQR-UHFFFAOYSA-N 394.452 3.510 0 40 GHAB O=C(N[C@H]1CCCOc2ccc(F)cc21)c1ccc(OCC(F)(F)F)nc1 64819369 VGZGAEGSYLNLFF-AWEZNQCLSA-N 384.329 3.806 0 40 GHAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(C(=O)Nc3ccccc3)cc1)C2=O 4308732 QJJYQTYBOAKKQH-QMHKHESXSA-N 391.471 3.940 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1Br)n1cnc2ccccc2c1=O 5268166 WUZZRVUDRZRJEQ-MRXNPFEDSA-N 386.249 3.749 0 40 GHAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)c1 5323387 VZWNOTFHEGEXJO-LJQANCHMSA-N 388.379 3.848 0 40 GHAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2c[nH]c3ccccc23)c1Cl 6605747 ALXJKSIHSSSXPV-UHFFFAOYSA-N 378.215 3.974 0 40 GHAB CC/C(N[C@@H](C)c1ccccc1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 5625207 AGGJWYOSRMLWGO-BZSIDJSBSA-N 397.862 3.938 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc3cnccc23)cc1 7655339 SOCYEEBXQLSULA-UHFFFAOYSA-N 383.473 3.518 0 40 GHAB Cc1ccccc1N1C[C@H](c2nnc(NC(=O)c3cccs3)s2)CC1=O 9199372 HFQVTEDDGKAVGL-GFCCVEGCSA-N 384.486 3.681 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)c1nc2ccccc2c(=O)[nH]1 9718206 AQLQXBFHGOBVHD-CYBMUJFWSA-N 375.384 3.805 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)C(c2ccc(F)cc2)=NC1(C)C 71769022 VLJVZGICISNVRL-UHFFFAOYSA-N 387.842 3.794 0 40 GHAB CC(C)n1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1ccccc1 72191525 REYWWCVTSRFJDS-UHFFFAOYSA-N 396.472 3.955 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)N(CCN(C)C)Cc2cccs2)cc1 79053908 BQRKQDAXCKLLRF-HNNXBMFYSA-N 378.563 3.828 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1 20049678 PPASKPBTPLAEFR-HNNXBMFYSA-N 384.476 3.803 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(Cl)c1 20461885 WKCFGQJVGYPXQB-QGZVFWFLSA-N 378.881 3.519 0 40 GHAB CCOc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 408940539 UXYTXNNXAWYLGK-YBEGLDIGSA-N 386.835 3.840 0 40 GHAB c1csc(CN2CCN(c3nccn4c(-c5ccsc5)cnc34)CC2)c1 306141499 VYDGJISVYUHEPY-UHFFFAOYSA-N 381.530 3.842 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21 64946802 MHZVLVHVRMYNIZ-UHFFFAOYSA-N 386.857 3.676 0 40 GHAB O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccnc(NC(=O)C2CC2)c1 505307054 ABZDDMSELLXKRQ-UHFFFAOYSA-N 379.338 3.624 0 40 GHAB O=C(NCCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1)c1ccccn1 72390505 IYMMJKQAQWTKKO-UHFFFAOYSA-N 387.418 3.576 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c(C)c1 38754666 YFGYZRUZYCZICL-ZDUSSCGKSA-N 380.897 3.819 0 40 GHAB CCn1ccc(-c2cc(C(=O)NCc3ccccc3Cl)c3c(C)noc3n2)n1 36618005 XRWQEDXHEDUKAB-UHFFFAOYSA-N 395.850 3.998 0 40 GHAB Cc1cc([C@@H](O)c2ccccc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 72222616 NVULQDFMFRRODZ-IBGZPJMESA-N 383.492 3.529 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(NCCc2ccccc2)c(C(=O)O)c1 217658990 RGBPALVZRLNYHM-OAHLLOKOSA-N 390.505 3.506 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)ccc1Cl 223247878 VFEANJMQMNKTHQ-LBPRGKRZSA-N 393.892 3.655 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 224630280 KLMPQWOKCKZNKI-FQEVSTJZSA-N 386.923 3.869 0 40 GHAB CCN(CC)Cc1nc(C2(O)CCN(C3CCC(F)(F)CC3)CC2)cs1 225463506 JKAIJXMACUSDIJ-UHFFFAOYSA-N 387.540 3.846 0 40 GHAB biogenic,in-vitro O=C(CNC(=O)c1ccccc1F)Nc1ccc(Oc2ccc(F)cc2)nc1 40107082 DGGQBCVYHVRPCX-UHFFFAOYSA-N 383.354 3.521 0 40 GHAB COc1cccc(COCC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1 40132189 ZKJGLZKHYAQVQR-UHFFFAOYSA-N 377.444 3.525 0 40 GHAB Cc1ccc(C)c(NC(=O)CCNC(=O)c2ccc3c(c2)nc(Cl)n3C)c1 222550190 NTLQHOUUYBQODO-UHFFFAOYSA-N 384.867 3.602 0 40 GHAB COCC(=O)N(Cc1ccccn1)c1nc2c(C(F)(F)F)cccc2s1 77099364 SMXGADGMIPFUAD-UHFFFAOYSA-N 381.379 3.890 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl 223830647 RJSILOIPIBTKDO-UHFFFAOYSA-N 393.770 3.946 0 40 GHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 96235936 AQQYFNZHLJGZHV-GOSISDBHSA-N 399.422 3.700 0 40 GHAB CCOC[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242543551 KFKQMMJQLBWYJP-VAMGGRTRSA-N 393.936 3.570 0 40 GHAB O=C(CN1CCCCC1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257223279 DWQHRKVMLHYQEG-HXUWFJFHSA-N 385.483 3.944 0 40 GHAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CCC(=O)NCCO)ccc3O2)cc1 257270982 MWKILVHFVJATFU-XMMPIXPASA-N 381.516 3.787 0 40 GHAB O=C(NCC1(c2ccc(F)cc2)CCC1)N1CC[C@@H](n2cc(Cl)cn2)C1 642097277 VESMIRTUVLLOMD-QGZVFWFLSA-N 376.863 3.754 0 40 GHAB COc1cnccc1[C@@H](C)NC(=O)N1CCC(c2ccc3cccnc3n2)CC1 654539639 OZCMVLXETVWCDL-OAHLLOKOSA-N 391.475 3.684 0 40 GHAB Cc1ccc(CNC(=O)c2cccc(CNC(=O)N3CC4CC3(C)C4)c2)cc1 663657862 MMMGSNYMDUBVAV-UHFFFAOYSA-N 377.488 3.619 0 40 GHAB C[C@@H](NC(=O)N[C@@]1(c2ccccc2)CC1(C)C)c1ncc(Br)cn1 664955760 NOEGXYJXNSPBET-KZULUSFZSA-N 389.297 3.925 0 40 GHAB CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(N2CCNC2=O)c1 57097730 KORADCCEDANDKR-UHFFFAOYSA-N 377.366 3.507 0 40 GHAB CCCn1/c(=N/C(=O)c2cc(F)cc3nc(C)c(C)nc23)[nH]c2ccccc21 58406679 OHSCQIJYQIYUKV-UHFFFAOYSA-N 377.423 3.820 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1C 5674476 FOQHPRBNBBRYBF-UHFFFAOYSA-N 396.516 3.996 0 40 GHAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc(F)cc1 12292720 PCXVPJDVCBCGEO-RTBURBONSA-N 391.870 3.863 0 40 GHAB C[C@@H](NC(=O)CCNC(=O)/C=C/c1ccccc1)C12CC3CC(CC(C3)C1)C2 12918789 PUXIWVOAIOWSDR-JYXVHMPUSA-N 380.532 3.927 0 40 GHAB Cc1cc2cc(CNc3ccc(N4CCC[C@@H](O)C4)cc3)c(=O)n(C)c2cc1C 13564240 VLEXCOWBYDUZMA-JOCHJYFZSA-N 391.515 3.729 0 40 GHAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCCN(CC2CC2)C1 19530023 HUWJZHSGLWBATD-VGSWGCGISA-N 388.483 3.764 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CCC2)C1 19591383 OCBOLZOKCURYIW-DEOSSOPVSA-N 376.500 3.661 0 40 GHAB COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1N1CCOCC1 19716601 ZMPOBHRHHHIBFC-SFHVURJKSA-N 396.487 3.564 0 40 GHAB CN(C)Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)cc1 12088038 QWSABJVTKONGBL-FQEVSTJZSA-N 388.515 3.898 0 40 GHAB O=C(NCC1CCN(C2CCSCC2)CC1)C12CC3CC(CC(C3)C1)C2 244969184 HCXZPIFQJDECMQ-UHFFFAOYSA-N 376.610 3.927 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@@H](C)NCc2ccco2)sc2c1CC[C@@H](C)C2 3292315 MAVYPFZMAMHYOF-CHWSQXEVSA-N 390.505 3.759 0 40 GHAB CC(=O)N[C@@H](CC(=O)OCc1cc(=O)oc2c(C)c(C)ccc12)c1ccccc1 4220025 PRWMUEODFSEWBT-FQEVSTJZSA-N 393.439 3.721 0 40 GHAB COc1ccc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)c(OC)c1 1888869595 IPWLIMDMAWRSHO-UHFFFAOYSA-N 397.397 3.556 0 40 GHAB CSc1ccc(N2C[C@@H](C(=O)N(C)Cc3ccc(F)cc3F)CC2=O)cc1 26312070 HNYJVKCOAKLYDT-AWEZNQCLSA-N 390.455 3.698 0 40 GHAB Cc1nc(C)c(CN2CCC(COc3ncc(Br)cn3)CC2)s1 1775995917 NFZPEMZKBXJKFK-UHFFFAOYSA-N 397.342 3.603 0 40 GHAB Cc1cc(OCC2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)ccn1 1775995450 WRLJKGCNTMJWRJ-UHFFFAOYSA-N 394.515 3.756 0 40 GHAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)[C@@H]4[C@H]5CCCC[C@H]54)CCO3)n2)s1 2037834677 BWMPYNKIEKIKSB-GFIVTLFCSA-N 398.532 3.926 0 40 GHAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 2468181 GMOXWRNLGTXKHN-UHFFFAOYSA-N 381.457 3.949 0 40 GHAB Cc1cc(C)cc(-n2nnc3c(=O)n(Cc4cccc5ccccc45)cnc32)c1 5057302 OANPJGOHAXQVNM-UHFFFAOYSA-N 381.439 3.796 0 40 GHAB Cc1cc(C)c2sc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc2c1 5268548 GUWVIJOLYWFUQA-UHFFFAOYSA-N 383.492 3.944 0 40 GHAB O=C(NCc1n[nH]c(=O)c2ccccc12)C1(c2ccc(Cl)cc2)CCCC1 5313343 HYQXIHKBIQQAPZ-UHFFFAOYSA-N 381.863 3.705 0 40 GHAB Cc1cc(C(=O)N(CCN(C)C)c2nc3c(C)ccc(Cl)c3s2)no1 12229579 KGUCSUAYYLSDSM-UHFFFAOYSA-N 378.885 3.763 0 40 GHAB COc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc1F 1775976431 ZYLUBSFWDPNHRX-GJZGRUSLSA-N 386.471 3.732 0 40 GHAB COc1ccc2cc(C(=O)NCc3ccc(C(=O)c4ccco4)s3)[nH]c2c1 211086539 NESHOMGVCSGABP-UHFFFAOYSA-N 380.425 3.992 0 40 GHAB O=C(/C=C/c1cccs1)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 585301091 LIKBUTSOYLZTEA-ISEXYEMMSA-N 387.526 3.757 0 40 GHAB O=C(CN1CCC(COc2ccncc2Cl)CC1)Nc1ccccc1F 2298122923 NQYAJXWYTQDPMS-UHFFFAOYSA-N 377.847 3.604 0 40 GHAB COc1cccc(NC(=O)[C@H](C)n2nc(-c3cc(C)ccc3C)ccc2=O)c1 20095537 SRVTZFMLBUVUFB-INIZCTEOSA-N 377.444 3.735 0 40 GHAB COc1ccc(CCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1OC 20100422 LXGUIYAZITYNAS-UHFFFAOYSA-N 396.531 3.583 0 40 GHAB Cc1noc(CCCC(=O)OCC(=O)c2ccc3c(c2)Cc2ccccc2-3)n1 51142379 TWKFRVDQOUYVPS-UHFFFAOYSA-N 376.412 3.698 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)o2)cc1 867622 DGIKLSMGZWKWGM-UHFFFAOYSA-N 383.429 3.679 0 40 GHAB CCOc1ccc(-c2nnn(CC(=O)Nc3c(CC)cccc3CC)n2)cc1 878295 FFYZXBHDDOLTPS-UHFFFAOYSA-N 379.464 3.502 0 40 GHAB COc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCC(C)CC2)cc1 1330472 SOACKOPQJVPUON-OAQYLSRUSA-N 377.492 3.551 0 40 GHAB Cc1nnc(SCC(=O)N[C@@H](C)CCc2ccccc2)n1-c1ccccc1 3409900 VYBCHEPHUKZNPA-INIZCTEOSA-N 380.517 3.805 0 40 GHAB Cn1c(C(=O)O[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc2sccc21 4092616 QQDPATYOVFTAHM-LJQANCHMSA-N 397.500 3.982 0 40 GHAB Cc1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1N1CCN(C)CC1 32495095 MYJNYWDSDDKORW-UHFFFAOYSA-N 391.437 3.947 0 40 GHAB Cc1cccc(OCCSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c1 7254140 GHHWGVSFNWYHFJ-UHFFFAOYSA-N 392.502 3.558 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCC(=O)NCc3ccco3)c3ccccc3n2)cc1 7952288 VKKJBIJJOARGTQ-UHFFFAOYSA-N 399.450 3.849 0 40 GHAB CC(C)(C)OC(=O)NCCNC(=O)c1csc(-c2ccc(Cl)s2)n1 60158540 XOXNWNHFZZWVGU-UHFFFAOYSA-N 387.914 3.780 0 40 GHAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCOc2ccccc2F)C1=O 2618616 MLHGEPJQBYUOEM-GOSISDBHSA-N 397.233 3.979 0 40 GHAB Cc1noc(C)c1CCC(=O)N1CCN(Cc2csc3ccccc23)CC1 32757207 GZICDMMMKXLICC-UHFFFAOYSA-N 383.517 3.783 0 40 GHAB C[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCO2)c1ccc(NC(=O)C2CC2)cc1 32795351 JOKDGDDVBOLEAB-ZIAGYGMSSA-N 395.459 3.885 0 40 GHAB CN(C(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 10286264 LEDLLFZJHJDPAA-UHFFFAOYSA-N 394.496 3.929 0 40 GHAB CCC(CC)[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 32937688 GFUVRTQUXUHEFJ-GOSISDBHSA-N 375.494 3.633 0 40 GHAB CC(C)c1ccsc1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 53024836 KDCRFAOFBYZNMR-HXUWFJFHSA-N 385.577 3.980 0 40 GHAB COc1cc(Cl)c(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1OC 23054257 WUGRPFBEEMTWJQ-UHFFFAOYSA-N 388.851 3.732 0 40 GHAB O=C1C[C@H](c2ccccc2)N(C(=O)c2ccc(-c3ccc(F)cc3)o2)CCN1 47229158 PMJBAXAMKVSIAC-GOSISDBHSA-N 378.403 3.789 0 40 GHAB Cc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C 23599009 XYUDBFUJDNKNQX-UHFFFAOYSA-N 388.533 3.652 0 40 GHAB Cc1ccc(C)n1CCN1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 25436766 OJBGPTSBSOHWLJ-UHFFFAOYSA-N 394.947 3.912 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(SCC(=O)c2ccc(Cl)cc2)nc1 12538049 LAFCPWIGMIIZNS-UHFFFAOYSA-N 398.937 3.741 0 40 GHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc(O)cc1 57560163 YQGGPFAPNHBCLP-UHFFFAOYSA-N 377.322 3.858 0 40 GHAB COc1cc(N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)ccc1N1CCCC1=O 57963103 NTPTYIBSXDWGFT-HOTGVXAUSA-N 393.487 3.600 0 40 GHAB O=C(Nc1ccccc1)C1CCN(C(=O)CN2CCC[C@H]2c2ccccc2)CC1 10090859 FTLCCQJDVROQPH-QFIPXVFZSA-N 391.515 3.701 0 40 GHAB O=S(=O)(c1cccc2ncccc12)N(Cc1cccnc1)Cc1ccco1 58192700 SIYSDYPQBVCDBV-UHFFFAOYSA-N 379.441 3.614 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)NCc3ccccc3Cl)n2C)cc1 3286451 SOQHLXPWVWQIOG-UHFFFAOYSA-N 386.908 3.852 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2OC)cc1C 27746426 MUEVAVLUDKIANG-CQSZACIVSA-N 397.431 3.858 0 40 GHAB O=C(Nc1ncccc1O)c1ccc(Oc2ccccc2Br)nc1 44948812 FOAICCZEYYRXBD-UHFFFAOYSA-N 386.205 3.989 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(NCc2ccc(F)cc2)s1 10344743 DQYWHPPOEDNUTQ-GFCCVEGCSA-N 380.514 3.782 0 40 GHAB Cc1ccc(C)c(C(=O)[C@@H](C)N2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1 3377039 XMFIOCGDSLUEIX-MWTRTKDXSA-N 376.456 3.658 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1C[C@@H](C)C[C@@H](C)C1 2309871 WAUKQBSIVYNPOP-MJBXVCDLSA-N 389.471 3.789 0 40 GHAB CC(C)c1cccc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)c1 12784717 ANLJBGGIWWZRMQ-KRWDZBQOSA-N 380.535 3.813 0 40 GHAB Cc1c(C(=O)NCc2ccc(CN3CCOCC3)cc2)oc2c(F)cccc12 12751769 LSQSKNWPETXLIS-UHFFFAOYSA-N 382.435 3.643 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1S(=O)(=O)N1CCCCCC1 12810544 HZXIJLMPJIPLPA-KRWDZBQOSA-N 376.522 3.855 0 40 GHAB Cn1c(=O)n(C)c2cc(NC(=O)c3cc(Br)ccc3Cl)ccc21 60242951 SHOYBGARUHKFEN-UHFFFAOYSA-N 394.656 3.545 0 40 GHAB CCN(CC(=O)Nc1cccc(C)c1C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13069892 CCEFUWNGXDQBGP-UHFFFAOYSA-N 398.894 3.654 0 40 GHAB CCN(CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 13010959 JDLGECWPFOZCGY-QGZVFWFLSA-N 396.512 3.527 0 40 GHAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)c(C)c1 13021736 PEEIIBIFVGHYAZ-SFHVURJKSA-N 394.471 3.897 0 40 GHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2Cl)c(OC)c1 408627949 OQPVWEJWVBOBKG-UHFFFAOYSA-N 391.880 3.824 0 40 GHAB Cc1ccc(-c2nc(C(=O)OCc3cc(=O)n4ccsc4n3)cs2)cc1 17939708 OTEKFCOMFZEGNH-UHFFFAOYSA-N 383.454 3.545 0 40 GHAB COCc1ccc(C(=O)N(C)Cc2cc(Br)ccc2OC)cc1 14070925 OXKROAWCMSDAJL-UHFFFAOYSA-N 378.266 3.876 0 40 GHAB O=C(c1ccccc1)N1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 14139122 UYUGCVQTZWGVSY-UHFFFAOYSA-N 386.377 3.611 0 40 GHAB Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)c(Cl)c1 8727840 JQWTYZGBQFNUPW-UHFFFAOYSA-N 380.897 3.896 0 40 GHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3ccccc3C)no2)C1=O 14244328 KHZZWWOLSALXSM-OAQYLSRUSA-N 394.406 3.541 0 40 GHAB COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cccc(OC)c1 4679093 DYFOIJCKMYIUNR-UHFFFAOYSA-N 381.432 3.546 0 40 GHAB COc1ccc(CCNC(=O)CCC(=O)c2cc(C)sc2C)cc1OC 6601601 QFNUGMUKLWEWTB-UHFFFAOYSA-N 375.490 3.704 0 40 GHAB COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(OC(F)F)cc2)cc1OC 14929132 LTQXXSDETLYXGJ-ZDUSSCGKSA-N 394.418 3.764 0 40 GHAB CCN(CC)CCn1c(NC(=O)COc2ccccc2C)nc2ccccc21 4941674 VJHDFWNBJCTIMC-UHFFFAOYSA-N 380.492 3.704 0 40 GHAB CSc1ccc(CN(C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 7496039 IZBLKHYJYSOYRI-UHFFFAOYSA-N 383.517 3.606 0 40 GHAB O=C(NCc1ccccn1)/C(=C/c1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 7738561 DLEQPRRFANDBNS-GZTJUZNOSA-N 398.422 3.544 0 40 GHAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(-c3nncn3C)cc2)c2c1CCC2 68503918 WORLAQKAEAKBGI-UHFFFAOYSA-N 398.470 3.717 0 40 GHAB CCOc1ccc(C(C)=O)cc1CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O 7990577 LGFMYNYQZPFNNO-OAHLLOKOSA-N 380.444 3.954 0 40 GHAB CCc1cc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)sc1C 7977686 HWRBKHFQNSXELN-UHFFFAOYSA-N 380.535 3.948 0 40 GHAB COCCCNC(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1 7988006 WHZMPTBQWJKYNJ-UHFFFAOYSA-N 377.488 3.982 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N1CCCC[C@@H]1c1nc2ccccc2s1 8076254 RKZPHMUVBBWHOW-MRXNPFEDSA-N 393.468 3.958 0 40 GHAB CCN(CC)CCCC1CCN(CC(=O)N[C@H](C)c2ccccc2OC)CC1 96007904 ZVQGJGNESRDJQM-LJQANCHMSA-N 389.584 3.706 0 40 GHAB O=S1(=O)N[C@@H](Cc2ccc(-c3cccc(Cl)c3)o2)[C@@H](O)c2ccccc21 9530867 OXOQJMFWMFMSDI-LPHOPBHVSA-N 389.860 3.537 0 40 GHAB Cc1cc(NC(=O)[C@H](C)[S@](=O)Cc2csc(-c3ccc(F)cc3)n2)no1 71801138 OLSAUCJNTPMUFM-LJZMDLFKSA-N 393.465 3.522 0 40 GHAB COC(=O)C[C@@H](Cc1ccccc1)NC(=O)Cc1csc(-c2ccc(C)o2)n1 72309952 FIXOTRCHSLMBKH-MRXNPFEDSA-N 398.484 3.545 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)c2ccccc2F)cc1 25056395 IMLPNZUMLOUNDJ-FQEVSTJZSA-N 384.451 3.708 0 40 GHAB CS(=O)(=O)Nc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1F 95939001 ITYIZTFYNZLKBS-UHFFFAOYSA-N 391.449 3.573 0 40 GHAB C[C@@H]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)C1 95955001 HXSHCKAXYWOQLW-JMSVASOKSA-N 390.833 3.948 0 40 GHAB Cc1cccc(/C=C/C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 9990829 YAKVKBQWIXEBQX-VMPITWQZSA-N 391.467 3.901 0 40 GHAB CN(CCCNC(=O)c1ccc(F)cc1Br)Cc1ccccc1 9983075 DBBYNWZMWVREFS-UHFFFAOYSA-N 379.273 3.840 0 40 GHAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 89420097 VMTFKDUQTGFHSD-WCQYABFASA-N 393.846 3.913 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 32930198 IIQMWMZICZKHHG-CQSZACIVSA-N 393.409 3.653 0 40 GHAB O=C1CCCN1c1cccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 32443991 PRYVOHIZGBNHBC-UHFFFAOYSA-N 399.299 3.599 0 40 GHAB COc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 408704676 RHBGVOKAQBJHQU-UHFFFAOYSA-N 396.468 3.776 0 40 GHAB O=C(C[C@@H](c1ccsc1)n1cccc1)NCc1cc(F)cc2c1OCOC2 524734763 KPHIASWJGQSMCG-SFHVURJKSA-N 386.448 3.851 0 40 GHAB C[C@@H]1OC2(CNC(=O)OCC3c4ccccc4-c4ccccc43)CC1(C(=O)O)C2 1536219806 FZWVYGWIGBKFIO-WVSTVCSASA-N 393.439 3.547 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)N(C)C[C@@H]1COc2ccccc2O1 32346158 PYCWRLCOTXNKTN-QGZVFWFLSA-N 376.456 3.693 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1cncc(Br)c1)c1ccsc1 31987610 IJMWDTWGAMMHAR-HNNXBMFYSA-N 382.327 3.719 0 40 GHAB Cc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 35312509 WTDREUDYSWIIKZ-NRFANRHFSA-N 394.498 3.613 0 40 GHAB Cc1noc(CNC(=O)c2ccc(OCc3nc(-c4ccco4)cs3)cc2)n1 56907842 VPOWJTZLPPVOFV-UHFFFAOYSA-N 396.428 3.604 0 40 GHAB CC[C@H](C(=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1)c1ccccc1 70637578 ALSOQGADWNRDOJ-NRFANRHFSA-N 386.499 3.986 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)[C@H](c3ccccc3)n3cccc3)CC2)cc1 70636900 HATOCWYDMKSWIW-QHCPKHFHSA-N 387.483 3.629 0 40 GHAB O=C(NCc1cccnc1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849968 NFRLRAQBCCKCEK-OAHLLOKOSA-N 378.303 3.917 0 40 GHAB COc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3coc(C)n3)C2)c1 72363254 AQAJSOLMPBQALR-HNNXBMFYSA-N 394.431 3.594 0 40 GHAB Cc1ccc(C2=NC3(CCN(Cc4cccc(Cl)c4)CC3)NC2=O)cc1C 35430894 MBKFLNSFBIRQQL-UHFFFAOYSA-N 381.907 3.868 0 40 GHAB biogenic COc1cc(OC)cc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 218896096 IKCQMEDGBMPTLP-UHFFFAOYSA-N 391.423 3.952 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)cc1 41085629 CCWHZTGJABXZCB-UHFFFAOYSA-N 389.411 3.736 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1 223139503 ITXYOJJXTOYTIL-HZPDHXFCSA-N 388.458 3.839 0 40 GHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)c(OC)c1 224822909 JADNPEWUPGNKNP-PMACEKPBSA-N 394.500 3.614 0 40 GHAB CCSc1nnc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)s1 222639082 KHPMIEBBGXYBPB-UHFFFAOYSA-N 376.551 3.809 0 40 GHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 222866710 SFPJWRPIRGKKET-UXHICEINSA-N 377.517 3.709 0 40 GHAB CCOc1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 223717855 AFIBJKBKHAIFCT-HKWRFOASSA-N 390.439 3.766 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)C=C(C)N3)cc1 96101663 FMMZRCJHNTUJJM-YFPIXMDGSA-N 387.443 3.857 0 40 GHAB COc1ccc(-c2noc(-c3cccn3CC(=O)NC3CCCCC3)n2)cc1F 98211376 QIVABZAYBGUTLG-UHFFFAOYSA-N 398.438 3.802 0 40 GHAB CC(C)CC(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCCC1)c1ccccc1O2 96242965 XXQFCPBXPJRTAU-IBGZPJMESA-N 398.547 3.973 0 40 GHAB CCOC(=O)[C@H](C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 245240336 PFRRINIMSRUQHA-MOGBFKHBSA-N 396.524 3.600 0 40 GHAB C[C@@H]1CC[C@@H]2C(=CC[C@@H](O)C2(C)C)[C@]1(C)Cc1c(O)cc(CO)c(C=O)c1O 252581666 KCAICXOYUFVURO-SYQJLUBHSA-N 388.504 3.715 0 40 GHAB biogenic,in-vitro CCc1ccc([C@H]2COCCN2C(=O)c2ccnc(-c3ccccc3)c2N)o1 585080837 PTPYVMYBPNMLSE-GOSISDBHSA-N 377.444 3.700 0 40 GHAB COC[C@@H](C)NC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 257197911 NBSSMPRIVKVWKE-GOSISDBHSA-N 397.515 3.853 0 40 GHAB CCn1ccnc1CN1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 257314828 UYQKDEURFOOJOY-IPJJNNNSSA-N 384.499 3.807 0 40 GHAB NC(=O)c1sc2ncccc2c1C1CCN(C(=O)c2ccccc2F)CC1 257261175 LGBFPHLYNNAPHG-UHFFFAOYSA-N 383.448 3.554 0 40 GHAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1cc(F)ccc1Cl 1655975336 LJSSPANRHWXIDT-QGZVFWFLSA-N 379.840 3.644 0 40 GHAB COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2c(C)c(-c3ccc(F)cc3)nn21 90594453 FQPVAYMMFKPWEE-MRXNPFEDSA-N 394.406 3.528 0 40 GHAB Cc1cccc(CN2CCOC[C@@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)c1 585104778 SZGNEPFJFYQHTA-RDPSFJRHSA-N 378.516 3.807 0 40 GHAB COc1ccc(NC(=O)c2ccc3n2CCN(C(=O)c2ccsc2)CC3)cc1 585110982 OBKLBJQMLNXPNB-UHFFFAOYSA-N 395.484 3.509 0 40 GHAB O=C(c1ccc(O)nc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 585182428 SIPKKEHZHILXOB-SFHVURJKSA-N 381.407 3.873 0 40 GHAB NC(=O)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 512312283 CIYMQJRQZADMPW-BRWVUGGUSA-N 376.378 3.542 0 40 GHAB COc1ccc(NC(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)c(OCc2ccccc2)c1 666841985 RAUMSMQMAAOSPS-HZPDHXFCSA-N 382.460 3.963 0 40 GHAB Cc1ncc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)c(C)n1 1615154422 GFOQODCTJWRTMH-UZLBHIALSA-N 382.483 3.752 0 40 GHAB CCCCCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)ccc1OC 5005057 DEWPLNIEZDXMDN-GOSISDBHSA-N 392.521 3.620 0 40 GHAB O=C(CN1CCC(O)(c2ccccn2)CC1)N(C1CCCCC1)C1CCCCC1 12114383 NHMNVGNREYCOSV-UHFFFAOYSA-N 399.579 3.859 0 40 GHAB Cc1cc(-c2cncnc2C2CCN(C(=O)c3cc(CC(C)C)on3)CC2)on1 12118325 VPBYCIJBEZQLQP-UHFFFAOYSA-N 395.463 3.646 0 40 GHAB COc1ccc(C2(NC(=O)CCN3Cc4ccccc4C3=O)CCCC2)cc1 12197604 SOMXKJJUBCSCTP-UHFFFAOYSA-N 378.472 3.627 0 40 GHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CC(=O)N(c2ccccc2F)C1 12823911 ACWSBKIYRLRWAY-CQSZACIVSA-N 381.432 3.941 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714186 JCKBMCAGEHOKGJ-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB Cn1ccnc1[C@H](NC(=O)[C@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1 19291183 HISDHZJSKBUWOC-RTWAWAEBSA-N 392.478 3.602 0 40 GHAB Cc1nn(CCC(=O)N2CCc3onc(Nc4ccccc4F)c3C2)c(C)c1C 19557113 IODOWOIIZMXJGW-UHFFFAOYSA-N 397.454 3.654 0 40 GHAB Cc1cc(-c2cncnc2)cc(C2CCN(C(=O)c3scnc3C)CC2)n1 19692162 ARBSFFHDQAKPLR-UHFFFAOYSA-N 379.489 3.632 0 40 GHAB Cc1cnc(-c2nc(NCCc3ccncc3)ncc2-c2onc(C)c2C)cn1 12088819 ZJNVQKOBGKWMOW-UHFFFAOYSA-N 387.447 3.563 0 40 GHAB COc1ccc(CN(Cc2cn(C)c3ccc(F)cc23)C[C@H](C)O)cc1OC 12147957 XVFCYPMPOOILOH-HNNXBMFYSA-N 386.467 3.718 0 40 GHAB Cc1cc(C(=O)N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)c(C)o1 1889133970 XLBPBPOGWKDBLS-CJNGLKHVSA-N 379.382 3.661 0 40 GHAB O=C(c1cccc(Br)c1)N1CCN=C1SCc1cccnc1 4061167 PPYRRLVBZHNAHG-UHFFFAOYSA-N 376.279 3.589 0 40 GHAB CCCCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1 4106157 RPGDTZJXUVLGGI-HHHXNRCGSA-N 389.521 3.832 0 40 GHAB COc1cccc(C(=O)NCCSc2ncc(-c3ccc(C)cc3)[nH]2)c1OC 4315416 LBDQPMRMYWABSN-UHFFFAOYSA-N 397.500 3.924 0 40 GHAB CNC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CCC2 5055678 HVASSJBFZRECMG-UHFFFAOYSA-N 379.279 3.611 0 40 GHAB COc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)cc3C)n2)c1 11693332 VDJRECPCWPKYRD-UHFFFAOYSA-N 391.471 3.955 0 40 GHAB CCc1ccccc1NC(=O)CCCn1nc(-c2cccc(OC)c2)ccc1=O 11693330 QSGODECVCQCLMQ-UHFFFAOYSA-N 391.471 3.900 0 40 GHAB COc1ccc(Cl)cc1NC(=O)C(=O)NCc1cc(-c2ccoc2)cs1 1775969627 CZBMGDDTWYFGDA-UHFFFAOYSA-N 390.848 3.925 0 40 GHAB Cc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccccc4)no3)ccn2n1 38651631 HZULMWOHOSJKOK-UHFFFAOYSA-N 383.411 3.570 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2nc3c(OC)ccc(Cl)c3s2)cc1 5256599 IFZUGSSPUUWJJE-UHFFFAOYSA-N 376.821 3.997 0 40 GHAB COc1cccc(OC)c1CN[C@@H]1CCCN(C(C)=O)[C@H]1c1ccc(C)s1 19217318 BGYNHNKOQJGBLC-DYESRHJHSA-N 388.533 3.916 0 40 GHAB C[C@@H]1Nc2ncnn2[C@@H](c2ccccc2F)[C@H]1C(=O)Nc1ccc(Cl)cc1 36701629 KYYPOJIBWZWYNG-GOPGUHFVSA-N 385.830 3.729 0 40 GHAB CCc1ccc(N2C[C@@H](c3noc(-c4ccc(OC)cc4OC)n3)CC2=O)cc1 44415853 SALFZMVGGVGBGR-HNNXBMFYSA-N 393.443 3.837 0 40 GHAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C)c2cc(C)sc2C)cc1 40074227 VSPRDVHXRZBFTF-LMSYVIICSA-N 386.517 3.769 0 40 GHAB O=S(=O)(c1cccc(NC[C@@H]2CC2(Cl)Cl)c1)N1CCCCCC1 40057048 FTEUSEBDWZQKQC-ZDUSSCGKSA-N 377.337 3.857 0 40 GHAB CC(C)[C@@H](Sc1nc2sccc2c(=O)n1C)C(=O)Nc1ccccc1F 40050909 NLFIVTJYGQOZAS-CQSZACIVSA-N 391.493 3.890 0 40 GHAB CCCc1noc(CCC(=O)NCc2ccccc2CN2CCCC[C@@H]2C)n1 40107153 POLFYDFVNWVOFD-KRWDZBQOSA-N 384.524 3.646 0 40 GHAB Cc1cc(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)c2cnn(C)c2n1 36616272 JJCMRYMSDLARMD-UHFFFAOYSA-N 392.438 3.530 0 40 GHAB C[C@H](NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 45624944 OQHXXBKCZUEUIO-RYUDHWBXSA-N 397.363 3.950 0 40 GHAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCOCC1 900477 IGFZZDOUZNXNML-GFCCVEGCSA-N 397.422 3.502 0 40 GHAB COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NCc2ccc(C)cc2)cc1 1328891 ZFSQTMICJQTPOJ-FQEVSTJZSA-N 379.412 3.811 0 40 GHAB CCc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nnc1-c1ccccn1 1362740 XMTCTWSBEDFUFD-UHFFFAOYSA-N 395.532 3.899 0 40 GHAB CCOc1ccccc1C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 29253981 WIILQEOOGKXWBH-UHFFFAOYSA-N 388.467 3.837 0 40 GHAB CN(C(=O)Nc1cc2c(cc1Br)OCCO2)C(C1CC1)C1CC1 51585526 CERRNKVHRJDWDR-UHFFFAOYSA-N 381.270 3.873 0 40 GHAB O=C(Oc1ccc(Cl)cc1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4544933 JPKVJNSOXIOVQU-FTUNRGFVSA-N 393.826 3.871 0 40 GHAB Cc1ccc(-n2ccnc(SCC(=O)NC3CCCCC3)c2=O)cc1Cl 4853046 GFHVVJUNZGYLQM-UHFFFAOYSA-N 391.924 3.735 0 40 GHAB CC(C)CCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1cccs1 4890204 FPDLQCKGORLAFW-OAHLLOKOSA-N 394.566 3.744 0 40 GHAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2nc3ccccc3s2)CC1=O 7767756 FWSJQCOKOGVQCW-CYBMUJFWSA-N 381.457 3.605 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nc(COc2ccc(Cl)cc2)n[nH]1 21158465 RZIRSSQUYFOTDS-LBPRGKRZSA-N 380.901 3.530 0 40 GHAB CN(Cc1cccs1)C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 8008178 WGLOJCOWRKFWBS-UHFFFAOYSA-N 380.469 3.600 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)cc1 8034399 IYSDDICGXNQUSN-UHFFFAOYSA-N 391.265 3.525 0 40 GHAB CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1ccc(COc3ccc4c(c3)CCC4)o1)C2 102442772 LBJLHYKZEUQJPY-RTBURBONSA-N 380.488 3.702 0 40 GHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 32899129 MTJSWPYZOLJZPH-ZIAGYGMSSA-N 376.403 3.799 0 40 GHAB CCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810167 OMTYACZCRZKBDO-UHFFFAOYSA-N 384.860 3.810 0 40 GHAB CCOC(=O)CCn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O 11903822 RGOXEZAYMKXHFN-UHFFFAOYSA-N 382.485 3.957 0 40 GHAB Cc1csc([C@@](O)(CC(=O)Nc2cc(Cl)ccc2O)C(F)(F)F)n1 57550151 NBSFAOFUIYVJGB-ZDUSSCGKSA-N 380.775 3.589 0 40 GHAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1 29825796 GBOQWJWPSMDCHX-HZPDHXFCSA-N 381.480 3.812 0 40 GHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 56173589 HLVKTDGWOGFBFE-UHFFFAOYSA-N 379.460 3.594 0 40 GHAB COc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2)cc1OC 20240101 NQNMNFPWUSDYRN-UHFFFAOYSA-N 379.909 3.949 0 40 GHAB CCC(=O)Oc1ccc(C(=O)Nc2cccc(I)c2)cc1 692532 BHBZMEPSYMEHMH-UHFFFAOYSA-N 395.196 3.859 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2CN(Cc3ccccc3Cl)[C@@H]2C1 107249385 BXCIPSYHFXRPMJ-QFBILLFUSA-N 375.299 3.879 0 40 GHAB CCCN1CCN([C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 22789361 IWBFRADWKBRMEE-LJQANCHMSA-N 381.520 3.620 0 40 GHAB COc1ccc(CSc2nnc(Nc3ccc(C)cc3)c(=O)n2C)cc1OC 28538428 PGXJORQOVVQDMK-UHFFFAOYSA-N 398.488 3.537 0 40 GHAB COc1ccc(NC(=O)CN(C)C(=O)c2occc2COc2ccccc2)cc1 23039632 KQFQNCXRUBORIC-UHFFFAOYSA-N 394.427 3.578 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1F 904729 HGRJTJCJARXCSK-UHFFFAOYSA-N 379.420 3.685 0 40 GHAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(C(F)(F)F)cc1 23396824 WKRMKAAPZUJFDR-UHFFFAOYSA-N 384.741 3.723 0 40 GHAB COc1ccc(Cc2nc(-c3cc(C)n(-c4ncn[nH]4)c3C)cs2)cc1OC 23624850 YHDIIIWQGINLNA-UHFFFAOYSA-N 395.488 3.944 0 40 GHAB Cc1nn(C)c(C)c1CCC(=O)Nc1cccc(NC(=O)c2cccs2)c1 24031129 MJNBNZBDLWGRJJ-UHFFFAOYSA-N 382.489 3.922 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)o1 100479617 MSBCKQOUAYBQLU-JTNHKYCSSA-N 393.896 3.796 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2 1293499 SFAVWSRLYWXUHX-UHFFFAOYSA-N 384.819 3.568 0 40 GHAB Cc1cc(NC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)n(C)n1 43432734 KAVAFWKUBOPPOB-AWEZNQCLSA-N 396.278 3.670 0 40 GHAB CCS(=O)(=O)Nc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 29514749 UGFPSYIQWGWIHN-UHFFFAOYSA-N 386.517 3.543 0 40 GHAB CCCC(=O)Nc1cccc(CNC(=O)[C@@H](c2ccccc2)N2CCCC2)c1 57912783 UNYHXFTVPSPVKA-JOCHJYFZSA-N 379.504 3.879 0 40 GHAB CCS(=O)(=O)Nc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1 58198381 FFCHOCPVPSYWTP-UHFFFAOYSA-N 377.853 3.835 0 40 GHAB Cc1ccc(Nc2nc(CN3CCN(C(=O)c4ccoc4)CC3)cs2)cc1 27588609 VEBBJGCDYWEXQQ-UHFFFAOYSA-N 382.489 3.746 0 40 GHAB CN1CCC(N(C)C[C@H](NC(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 58249858 RFRFDLPRPDHQJN-NRFANRHFSA-N 384.499 3.715 0 40 GHAB CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@@H](c1ccnc3ccccc13)N2 306145421 DZPNVVOQKSONNP-IBGZPJMESA-N 383.492 3.665 0 40 GHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 408678330 FSYNAXXXCLJPSI-KRWDZBQOSA-N 387.432 3.595 0 40 GHAB CCOc1ccc(-c2nc(-c3cccc(NC(=O)c4cnccn4)c3)no2)cc1 28221896 IAYXUYBNKCFJQU-UHFFFAOYSA-N 387.399 3.845 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(OC(F)(F)F)cc2)c1 3322716 FYVCRHCOBZHXSS-GFCCVEGCSA-N 395.333 3.972 0 40 GHAB C[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H](c2ccccc2)O1 58417687 BUPSWTYDLZRXCJ-BXUZGUMPSA-N 390.281 3.652 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 10779763 DIZZNEYPRSMBKP-UHFFFAOYSA-N 394.515 3.918 0 40 GHAB Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1Cc1cccnc1 28343739 JOBGNSWFJALYJU-UHFFFAOYSA-N 378.457 3.737 0 40 GHAB COc1ccc(-c2n[nH]c(S[C@@H](C(=O)NC3CC3)c3ccc(F)cc3)n2)cc1 10937291 GLJIRUDYEXRSLE-QGZVFWFLSA-N 398.463 3.731 0 40 GHAB Cc1cc2nnc(SCC(=O)N(C)Cc3ccccc3)n2c2ccccc12 3496067 OZORQZCXPUVIBO-UHFFFAOYSA-N 376.485 3.942 0 40 GHAB C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)NC1CCCC1 12975953 ORIJOBFYDJBDBS-AWEZNQCLSA-N 391.533 3.998 0 40 GHAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 12989868 IAUVSMYPUPTULE-UHFFFAOYSA-N 395.484 3.559 0 40 GHAB COc1cc2ccccc2cc1C(=O)NCc1cc(OC)c(OC)c(OC)c1 8361462 ITMSGSLJQIBDGP-UHFFFAOYSA-N 381.428 3.804 0 40 GHAB O=C(c1ccc(-n2cncn2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8367439 ROGQPENGNMXXKF-MRXNPFEDSA-N 389.484 3.897 0 40 GHAB CCc1nc2cc3c(cc2n1CC(=O)Nc1c(C)cc(C)cc1C)OCCO3 64795084 VROPPJPMQABFKW-UHFFFAOYSA-N 379.460 3.934 0 40 GHAB CCOC(=O)[C@@](NC(=O)Nc1ccccc1)(c1ccc(F)cc1)C(F)(F)F 4208162 CACCNRXJHBKPLU-KRWDZBQOSA-N 384.329 3.968 0 40 GHAB CN(C)c1ncccc1NC(=O)COc1ccc(C2SCCS2)cc1 49727704 IFQVBSHNABASQA-UHFFFAOYSA-N 375.519 3.644 0 40 GHAB CCCNC(=O)Cn1c([C@@H](CCC)NC(=O)c2ccccc2)nc2ccccc21 6187107 JVRSWBNAEFVJDY-LJQANCHMSA-N 392.503 3.834 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C 5268581 VUHPGLZRFYEJDS-UHFFFAOYSA-N 377.897 3.924 0 40 GHAB CN1CCc2nc(NC(=O)c3ccc(C4SCCS4)cc3)sc2C1 14182761 VTYWBTZLCCDMJN-UHFFFAOYSA-N 377.560 3.862 0 40 GHAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC(=O)N(C2CC2)C1 69831169 QYXLWGVHYJYMIS-MRVPVSSYSA-N 380.288 3.674 0 40 GHAB Cc1ccc(S[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 14244184 XOMJEAUMVGIPPS-LLVKDONJSA-N 382.407 3.648 0 40 GHAB O=C(N[C@@H]1COc2ccccc2C1)N1CCC(OCc2ccc(F)cc2)CC1 92187670 BBJAOGPUVRFYQR-IBGZPJMESA-N 384.451 3.520 0 40 GHAB COc1cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1OCC(C)C 18158594 NKKWWRRSIGSHIQ-INIZCTEOSA-N 394.475 3.802 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccccc1F)S2 6811853 OEPQNAWCUVVNEX-ZWKOTPCHSA-N 397.479 3.686 0 40 GHAB CC(C)c1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 7062189 GAESKFKQPNCRBF-HXUWFJFHSA-N 386.517 3.992 0 40 GHAB COc1ccc(C2=Nn3c(nnc(-c4ccccc4)c3=O)-c3ccccc3C2)cc1 67340143 OMPFBJKMYLHPIG-UHFFFAOYSA-N 394.434 3.789 0 40 GHAB Cc1occc1-c1nnc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)n1C 7114298 QITPVHFVLUSOII-QGZVFWFLSA-N 382.489 3.839 0 40 GHAB C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)Nc1ccc(F)cc1F 7189572 YVXVBIHGPDMRLX-SNVBAGLBSA-N 378.379 3.804 0 40 GHAB CC(C)(CNC(=O)N1CC[C@H](Nc2ccccc2)C1)c1ccc2c(c1)OCCO2 67637732 WACCVUDTDUGNFU-IBGZPJMESA-N 395.503 3.631 0 40 GHAB CO[C@H](C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccccc1 67826945 IILZUIXUCHITOS-ROUUACIJSA-N 390.277 3.737 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 408560923 FRQDZENCCBFYJW-UHFFFAOYSA-N 379.526 3.729 0 40 GHAB Cc1c(C(=O)N[C@H]2CCN3CCCC[C@H]23)sc2nc(C(F)(F)F)ccc12 95367840 VETOKOSLQXQGBG-QWHCGFSZSA-N 383.439 3.980 0 40 GHAB Clc1cc(Cl)cc(-c2noc(N3CCN(Cc4ccccn4)CC3)n2)c1 79016513 FDDUBHKOXPKRMX-UHFFFAOYSA-N 390.274 3.761 0 40 GHAB O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 79112535 QJTHMVULEGAUSB-AWEZNQCLSA-N 391.221 3.585 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc21 64946808 MWLIZUHIYAUBOY-UHFFFAOYSA-N 382.894 3.927 0 40 GHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O 409092854 ZTJJQSFMRSPWDC-KXUVPBGPSA-N 375.377 3.684 0 40 GHAB CC[C@@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 32193845 GCTPPVLOHZKPGM-CQSZACIVSA-N 386.945 3.578 0 40 GHAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2ccncc2)n1 72354735 JOCKXIBRPLYENB-QGZVFWFLSA-N 379.851 3.752 0 40 GHAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1NC(=O)C(F)(F)F 39747577 PJBKUSVYSFBYNU-UHFFFAOYSA-N 392.362 3.958 0 40 GHAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)CN4CCCC4)C3)n2)c1 72349728 ACIQWJXBBVHIQU-IBGZPJMESA-N 379.504 3.559 0 40 GHAB COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 72362123 BQWGIEWKWACCNL-KRWDZBQOSA-N 390.443 3.692 0 40 GHAB CC(C)CCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)c1ccccc1 217519501 XPMDDPGLTBQVBI-HNNXBMFYSA-N 390.505 3.882 0 40 GHAB O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1Cc1ccccn1 40397381 MAPJSYRCGCUROW-UHFFFAOYSA-N 387.830 3.808 0 40 GHAB O=C(c1cc(Cl)ccc1Cl)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386184 NYLMOTMGPJFQRU-MRXNPFEDSA-N 389.238 3.785 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccc(C)cc3)ccc21 225729020 XJFBAZLGSDGQTI-CQSZACIVSA-N 390.530 3.821 0 40 GHAB COc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)c2)c1 136690337 MLYRQXWQAIJZTK-VHKYSDTDSA-N 390.439 3.649 0 40 GHAB CCC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224640791 PVKUANZBLJOMRG-NRFANRHFSA-N 396.531 3.960 0 40 GHAB S=C(NCc1nc(-c2ccccc2)no1)Nc1cccc(Br)c1 44103635 JUCIQRZWIPUYFX-UHFFFAOYSA-N 389.278 3.986 0 40 GHAB O=C(NCCOc1ccc(Cl)cc1)C1CCN(Cc2ccccc2F)CC1 224550793 PTPWRNQBCKMCED-UHFFFAOYSA-N 390.886 3.886 0 40 GHAB CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(SC)cc1 224989262 BTYILZWWLIXZOP-UHFFFAOYSA-N 379.503 3.719 0 40 GHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(OC)cc1 222826254 BNINCPCNAGNOFM-OAHLLOKOSA-N 388.895 3.792 0 40 GHAB COC(=O)c1ccc(CSc2nnc(NC(=O)c3cc(C)oc3C)s2)o1 42379242 DFMOOBWYWYJEER-UHFFFAOYSA-N 393.446 3.672 0 40 GHAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)COc1ccccc1C)CCCC2 224218897 AQBKHSROWRJAMA-MRXNPFEDSA-N 389.517 3.628 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc21 224236961 INBHCNQARGVVGO-UHFFFAOYSA-N 380.469 3.940 0 40 GHAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)C3CCCC3)CC2)Oc2ccccc21 96242940 AFYBHUSGXOYUCM-SFHVURJKSA-N 384.520 3.582 0 40 GHAB CN(C)C(=O)c1sc2nc([C@@H]3CCCN3CCc3ccccc3)ccc2c1N 257270271 MTLVXALYXKZASQ-SFHVURJKSA-N 394.544 3.960 0 40 GHAB CC(=O)N1CCC[C@@H]2N(C(=O)c3sc(-c4ccccn4)nc3C)CCC[C@@]21C 257239621 HQDNMAKFLLEJBA-UWJYYQICSA-N 398.532 3.519 0 40 GHAB O=C(Nc1cccc(Br)c1)c1ccc(OCC2CCOCC2)nc1 252480185 BXNXRSQBSGWZJX-UHFFFAOYSA-N 391.265 3.902 0 40 GHAB CCc1nccn1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257219188 DFXQBLGXTZFFFK-IBGZPJMESA-N 378.476 3.778 0 40 GHAB C[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1ccc2c(c1)CCCO2 621185681 UDAFIPHTTWGIPW-MRXNPFEDSA-N 375.472 3.827 0 40 GHAB Cc1cccc(Cl)c1S(=O)(=O)NC[C@@H](O)c1cccc2ccccc12 1192394767 GCTLTHUSYLQAAK-GOSISDBHSA-N 375.877 3.814 0 40 GHAB CC(C)CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CC(F)C1)C2 585106595 CLGCRNBISGMYLG-KXXGJQBSSA-N 396.510 3.914 0 40 GHAB Cc1cccc(OC[C@H](O)CNCc2cc3c(C)ccc(C)c3nc2O)c1C 585283690 GUQXIHMIVDPPDV-LJQANCHMSA-N 380.488 3.704 0 40 GHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2F)CC1 5089722 YEHDTRLHDBTPNL-UHFFFAOYSA-N 391.874 3.639 0 40 GHAB COc1ccccc1C1(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CCCC1 12143071 CQPOIORUIIJBQG-LJQANCHMSA-N 392.499 3.629 0 40 GHAB CSc1ccc(NC(=O)[C@@H](C)n2nc(-c3cc(C)oc3C)cc(N)c2=O)cc1 12183697 FNEPDHKFQDZMED-GFCCVEGCSA-N 398.488 3.624 0 40 GHAB CN(CCNC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 12611435 SEZKITWAFICUTN-UHFFFAOYSA-N 397.700 3.734 0 40 GHAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 13710046 VEIOWJZDTSULOU-HKMNZKMDSA-N 384.907 3.965 0 40 GHAB CCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 14795913 DWSHTDOXLXVZDU-UHFFFAOYSA-N 388.533 3.851 0 40 GHAB C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)OCCO2 18109847 WZJVGJKQEBQZLP-QGZVFWFLSA-N 380.488 3.935 0 40 GHAB O=C(CCn1ccnc1-c1ccccc1)N1CCCC[C@@H]1CCN1CCCC1 19374401 MBWILLBINFCWSR-OAQYLSRUSA-N 380.536 3.807 0 40 GHAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)c4ccccn4)C3)noc2n1 19568823 IQZWUOZYXKNQRM-GFCCVEGCSA-N 390.365 3.965 0 40 GHAB CNc1cc([C@@H]2CCCN(Cc3ccc(OC)cc3)C2)nc(-c2cccnc2)n1 19592203 ZYCFQFQOYUALMS-LJQANCHMSA-N 389.503 3.969 0 40 GHAB Cc1c([C@H](C)NC(=O)c2ccc(Cl)c(NCc3ccccn3)c2)cnn1C 19714899 XICMJFPEFCXVQO-ZDUSSCGKSA-N 383.883 3.880 0 40 GHAB C[C@@H](C(=O)NCC1(N(C)C)CCCC1)n1c(C(F)(F)F)nc2ccccc21 19718386 BOCYMZZVHROIBR-ZDUSSCGKSA-N 382.430 3.607 0 40 GHAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(OCC(=O)O)cc2)cc1 226358606 FIVYZYRGRLLXQC-UHFFFAOYSA-N 386.473 3.574 0 40 GHAB Cc1cccc(CN2C(=O)CCC23CCN(Cc2ccc(F)c(F)c2)CC3)n1 1204225112 UEYJPHXTBYELNQ-UHFFFAOYSA-N 385.458 3.825 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)Nc1cccc(F)c1 4164403 IXTYCDPVMFJOFJ-UHFFFAOYSA-N 397.410 3.800 0 40 GHAB COc1ccc(-c2nnc(NC(=O)CSc3ccc(C)cc3)o2)c(OC)c1 4496493 DLZNYDCJNURNKK-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB Cc1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccc(F)cc3)n2)cc1C 16851352 NMDNYVFWUMJHKB-UHFFFAOYSA-N 397.475 3.999 0 40 GHAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)c1cccc(C(F)(F)F)c1 20950336 MCXVZIOYBPJROQ-MRXNPFEDSA-N 384.423 3.570 0 40 GHAB Cc1cc(CN2CCC(CNC(=O)c3ccc4nsnc4c3)CC2)c(C)o1 43972606 DJJSVUWGFZDDCJ-UHFFFAOYSA-N 384.505 3.543 0 40 GHAB O=C(CCCn1cnc(-c2ccccc2)cc1=O)NCc1ccccc1Cl 49028164 QTLUUQIEUZAJAZ-UHFFFAOYSA-N 381.863 3.660 0 40 GHAB COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1 575415710 VJDDMSDGEDEKJG-CYBMUJFWSA-N 388.445 3.521 0 40 GHAB CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2cncc(-c3ccco3)c2)CC1 575617987 GCUCHTYMGLLSFQ-UHFFFAOYSA-N 399.491 3.995 0 40 GHAB COc1cccc(C(=O)NC[C@@H](c2csc3ccccc23)N(C)C)c1OC 575619886 GWAYOTDYSXCMHG-KRWDZBQOSA-N 384.501 3.951 0 40 GHAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1cccc(C[S@](C)=O)c1 36392170 XWHOJLBYICDVBV-KWMCUTETSA-N 398.572 3.870 0 40 GHAB CCOc1ncccc1C(=O)Nc1ccccc1-c1nnc2n1CCCCC2 40039646 PAUDFVFBUNEICX-UHFFFAOYSA-N 377.448 3.718 0 40 GHAB CCCn1nc(C(=O)Nc2nc3ccccc3n2C2CCCCC2)ccc1=O 40145762 ACRDODKZTYASDE-UHFFFAOYSA-N 379.464 3.761 0 40 GHAB C[C@]1(C(=O)NCCSc2ccccc2)CCCCN1C(=O)c1ccccc1 96007089 WTMQBNYNFLSNSC-JOCHJYFZSA-N 382.529 3.980 0 40 GHAB COc1ccc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1OC 1380404 LNVGSRGJNKVAGI-UHFFFAOYSA-N 397.450 3.978 0 40 GHAB Cc1cc2oc(C(=O)NC[C@@H](c3ccco3)N3CCOCC3)c(C)c2cc1C 20646795 KJAURASBYIQOLX-SFHVURJKSA-N 382.460 3.754 0 40 GHAB CCc1ccc(C(=O)COC(=O)c2cccc(I)c2)cc1 3279273 SQKDPKSKZZWINC-UHFFFAOYSA-N 394.208 3.893 0 40 GHAB NC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 20945517 VEMJYYKHQOJNNB-UHFFFAOYSA-N 385.467 3.596 0 40 GHAB CN(Cc1ccccc1)C(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O 29465610 KZBBYUDZGVSJRY-UHFFFAOYSA-N 389.480 3.784 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 4349170 DCYRIDDVROEAFQ-UHFFFAOYSA-N 394.500 3.822 0 40 GHAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCCCO2 11761039 XQHCZVIWMXGDGC-UHFFFAOYSA-N 395.242 3.523 0 40 GHAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)NC2CCCCC2)cs1 6681742 PHBXKWNJGDODEL-UHFFFAOYSA-N 378.519 3.920 0 40 GHAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccccn3)c2)o1 7099893 ZTDZFWLFOAOHRQ-UHFFFAOYSA-N 384.775 3.603 0 40 GHAB CCc1cccc(C)c1NC(=O)CCc1c(C)nc2nc(SC)nn2c1C 7667024 IZWCDCOBAALJDJ-UHFFFAOYSA-N 383.521 3.905 0 40 GHAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)/C=C/c1ccccc1 7671260 BWMRPGRONVTRMX-KPKJPENVSA-N 378.350 3.696 0 40 GHAB CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccco3)cc12 8586319 VUPOJJVUDIXCJU-UHFFFAOYSA-N 376.460 3.894 0 40 GHAB Cc1ccc2nc(CSc3nnc(NCc4ccccc4)s3)cc(=O)n2c1 2651265 IMVZBYLDGFBIDU-UHFFFAOYSA-N 395.513 3.759 0 40 GHAB Cc1cc(OCc2n[nH]c(SCC(=O)N3CCCC[C@H]3C)n2)ccc1Cl 2634078 VGRHMPWUTRKDCO-CYBMUJFWSA-N 394.928 3.839 0 40 GHAB COCCn1c(SCC(=O)c2cc(C)c(C)cc2C)nc2ccccc2c1=O 2621517 ZESYGVHKOQDLCK-UHFFFAOYSA-N 396.512 3.943 0 40 GHAB CCCCn1c(=O)n(C)c(=O)c2c(C(F)(F)F)cc(-c3cccs3)nc21 2654141 ZAFQICGBDSYYGW-UHFFFAOYSA-N 383.395 3.643 0 40 GHAB C[C@H]1CN(c2ccc(CNC(=O)CCc3ccccc3Cl)cn2)C[C@@H](C)O1 32930463 FMKSEMAJMAUTSI-IYBDPMFKSA-N 387.911 3.598 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 10737377 XZAKXLKKYGGJGY-UHFFFAOYSA-N 395.463 3.762 0 40 GHAB CCNc1c(NC(=O)Nc2ccc(OC)c(OC)c2)c(=O)oc2ccccc12 9607444 UEKQGRTXDXIMHO-UHFFFAOYSA-N 383.404 3.886 0 40 GHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)CSc1nnc(C2CCCCC2)o1 103441459 XVDIXAWAPLOGJG-VNHYZAJKSA-N 394.541 3.860 0 40 GHAB Cc1ccc2oc(C(=O)O[C@H](C)C(=O)N3CCCc4ccccc43)cc(=O)c2c1 22613013 IDXHMPSVIMGIAY-OAHLLOKOSA-N 391.423 3.626 0 40 GHAB O=C(C[C@H]1C(=O)N(C2CCCC2)c2nc3ccccc3n21)NCc1ccccc1 23382371 OCOVGRNVTZGLAE-FQEVSTJZSA-N 388.471 3.573 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3ccnc(-n4cncn4)c3)n2)cc1C 54673221 FENRYLUMOJFHLV-UHFFFAOYSA-N 376.445 3.655 0 40 GHAB NC1=Nc2nc3ccccc3n2[C@@H](c2csc(-c3ccc(Cl)cc3)n2)N1 24172293 LWGPHYNUZFMNDC-HNNXBMFYSA-N 380.864 3.910 0 40 GHAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1cccc(-c2nnco2)c1 24741513 FXYKJEODCWLBQL-UHFFFAOYSA-N 376.441 3.965 0 40 GHAB CC(C)CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(F)c(F)c2)c(O)n1 24747154 FUFBFZFANXZUIV-NSHDSACASA-N 396.463 3.555 0 40 GHAB COc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1OC 24864522 XBLRUAZMRFTYAD-OAQYLSRUSA-N 385.460 3.992 0 40 GHAB Cc1ccc2[nH]/c(=N\C(=S)NC(=O)Cc3ccc(Cl)cc3)sc2c1 1413787 GNIPGPYHMGKBAD-UHFFFAOYSA-N 375.906 3.736 0 40 GHAB O=C(CC12CC3CC(CC(C3)C1)C2)NC[C@@H](c1cccs1)N1CCOCC1 25463439 MKPJYHAGNPHNIC-ONUXSRJRSA-N 388.577 3.844 0 40 GHAB CC(C)(C)C(=O)NCCC(=O)Nc1ccccc1N1CCc2ccccc2C1 25800815 JKBATOAAUAFOHI-UHFFFAOYSA-N 379.504 3.740 0 40 GHAB NC(=O)[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 26221129 KVKZLDCECNRUHI-QHCPKHFHSA-N 382.467 3.856 0 40 GHAB O=C(NCCN1CCCc2ccccc21)c1cc(-c2ccccc2Cl)[nH]n1 57413626 NAETXCPBZCFNOJ-UHFFFAOYSA-N 380.879 3.913 0 40 GHAB Cc1ccc(Cl)c(OCC(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)c1 12578362 JFROFSWXIWIGQP-IBGZPJMESA-N 387.842 3.806 0 40 GHAB CCOC(=O)C1CCN(C(=O)[C@H](C)Nc2ccc(-c3ccccc3)cc2)CC1 57798720 DZQVECYBIIWKSA-KRWDZBQOSA-N 380.488 3.956 0 40 GHAB COc1ccc(NC(=O)NCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 12543934 CCKKDIMWGYOFLY-UHFFFAOYSA-N 396.491 3.836 0 40 GHAB COc1ccc(Cn2nnnc2[C@H](c2cccs2)N2CCC[C@@H](C)C2)cc1 20098526 CBHBBKLIELWRQS-BEFAXECRSA-N 383.521 3.613 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCCC2)cc1 27990309 LEMOPESJSZRVKI-HNNXBMFYSA-N 377.282 3.917 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)C(C)C 10428953 AVAZLLRDHSXEOX-OAQYLSRUSA-N 379.504 3.988 0 40 GHAB COc1cc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc(Cl)c1OC 8430254 GYVMCIONXPDAGC-UHFFFAOYSA-N 388.895 3.883 0 40 GHAB CN(C)c1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 119921522 ZMDPAMLXFWALGB-UHFFFAOYSA-N 387.483 3.639 0 40 GHAB Cc1ccc2c(COC(=O)c3cccc(C[S@](C)=O)c3)cc(=O)oc2c1C 10778720 XNCLFGUGSVIITO-HHHXNRCGSA-N 384.453 3.645 0 40 GHAB CC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1cccnc1)CC[C@H](C)C3 19797101 KYALVXHCISXKQY-LBPRGKRZSA-N 399.541 3.707 0 40 GHAB CC1CCN(Cc2csc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)n2)CC1 12877449 OIRYWGFYMFGKHH-UHFFFAOYSA-N 398.532 3.976 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)c1C 3479870 YRWPYUHVWMCYDJ-UHFFFAOYSA-N 384.476 3.818 0 40 GHAB Clc1ccc(-c2nnn(CCOc3cccc(Br)c3)n2)cc1 3431386 GIJHUVSEXAZWJH-UHFFFAOYSA-N 379.645 3.835 0 40 GHAB COCc1c(C(=O)NCc2ccc(C(=O)OC)cc2)sc2cccc(F)c12 13000167 DWGUONHAZBZQPV-UHFFFAOYSA-N 387.432 3.903 0 40 GHAB c1coc(Cn2c(SCc3nc4ccccc4[nH]3)nnc2-c2cnccn2)c1 4040703 UTAFVZLZZYEYDA-UHFFFAOYSA-N 389.444 3.545 0 40 GHAB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1)C(=O)c1ccccc1 408640128 ALLOUROEBRJNLD-QUCCMNQESA-N 379.456 3.861 0 40 GHAB COc1ccc(/C=C/c2nn3c(-c4ccc5c(c4)OCO5)nnc3s2)cc1 13721772 AHSYPVRQIJZZJX-RUDMXATFSA-N 378.413 3.761 0 40 GHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc2c(c1)OCO2 6128567 PHYILDUBRRAINO-UHFFFAOYSA-N 379.441 3.848 0 40 GHAB CCCC[C@H](Sc1nnnn1-c1ccccc1C)C(=O)Nc1cc(C)on1 14076024 BESYQGMVEXJFTQ-HNNXBMFYSA-N 386.481 3.557 0 40 GHAB Cc1nnc(CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)o1 5356288 UPKOTUQPGVSTNW-UHFFFAOYSA-N 381.436 3.981 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 5396549 VLKYGTMGIAPUKJ-UHFFFAOYSA-N 387.361 3.876 0 40 GHAB CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1ccccc1C(F)(F)F 8777939 HLVOASBBPOOTJL-UHFFFAOYSA-N 394.349 3.884 0 40 GHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C(F)(F)F)cc1 14248149 YMVGSTVNIWLUEA-CYBMUJFWSA-N 380.366 3.637 0 40 GHAB Cc1nc2c(n1CC1CC1)CN(Cc1ccc(F)cc1)CC21CCN(C)CC1 306138319 RUUHSYTYGXAIRR-UHFFFAOYSA-N 382.527 3.720 0 40 GHAB COC(=O)Cc1ccc(NC(=S)NCCc2c[nH]c3ccc(F)cc23)cc1 5483903 KYRBYGVKGUEAMX-UHFFFAOYSA-N 385.464 3.552 0 40 GHAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c1 6517641 JDWONMLADVFJLI-UHFFFAOYSA-N 397.519 3.878 0 40 GHAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2cccn2C)c(Br)c1 6543725 YPRSNCOXMZLNFJ-QGZVFWFLSA-N 376.298 3.872 0 40 GHAB COCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(C)=O)c1 8723053 SESYVJQETQMSFB-UHFFFAOYSA-N 392.249 3.929 0 40 GHAB COc1ccc2c(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)coc2c1 14622813 YELKWKZPEXZDRY-UHFFFAOYSA-N 393.848 3.680 0 40 GHAB C[C@@H]1CN([C@@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)C[C@@H](C)O1 19315589 KLADKBTYRMALAX-MVAKEXEHSA-N 391.726 3.622 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N2CCCC2)o1 15860481 VUIWPXWWGGRULD-GOSISDBHSA-N 394.471 3.878 0 40 GHAB Cc1cc(F)ccc1NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 15975916 GHQZCMHZBURIGX-UHFFFAOYSA-N 385.464 3.882 0 40 GHAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccco1 7803709 QDDDTXTUBADNMD-QGZVFWFLSA-N 391.471 3.541 0 40 GHAB O=C(CN1CCC[C@H]1c1cccs1)Nc1cc(Cl)ccc1-n1cncn1 7990545 OCQBBCFPHSSHDY-INIZCTEOSA-N 387.896 3.758 0 40 GHAB COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1c(F)cccc1F 16495105 MPSWMBFQPWNYKV-MRXNPFEDSA-N 378.400 3.740 0 40 GHAB O=C(CCN1CCN(CC(F)(F)F)CC1)Nc1ccccc1-c1ccccc1 25682759 JPQWBOREGMHQAD-UHFFFAOYSA-N 391.437 3.862 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2ccccc2Cl)[nH]n1 28835689 OXWYAGLEFCUGAT-UHFFFAOYSA-N 382.851 3.819 0 40 GHAB Cc1cccc(C)c1OCCOC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 9788451 ZFAKMVNJOVQQFG-UHFFFAOYSA-N 384.400 3.536 0 40 GHAB COc1ccc(CCNC(=O)c2cc(-c3cccc(Cl)c3)nn2C)cc1OC 72404453 VZRSMEJMDQRJHA-UHFFFAOYSA-N 399.878 3.730 0 40 GHAB COc1ccc(C(=O)Nc2c[nH]nc2[C@H]2CCCN(C(=O)CC(C)(C)C)C2)cc1 95998769 GOJVCSSKHDDBQW-INIZCTEOSA-N 398.507 3.813 0 40 GHAB CCn1cc(C(=O)N[C@H](C)CCc2ccccc2)c(=O)c2cc(OC)ccc21 22236019 OZBMUBSEFZLRMF-MRXNPFEDSA-N 378.472 3.781 0 40 GHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 306131738 KOGWDSGFBLFTQO-TZIWHRDSSA-N 383.444 3.841 0 40 GHAB Cc1cn2c(=O)cc(COc3cccc(NC(=O)c4ccccc4)c3)nc2s1 21369130 FHMLEXGQSBKQDX-UHFFFAOYSA-N 391.452 3.896 0 40 GHAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 409342040 BEITVMNUPSHQIQ-WQRHYEAKSA-N 396.468 3.987 0 40 GHAB Cc1ccc2sc(CN3CCC[C@@H](CNC(=O)CC(F)(F)F)C3)nc2c1 528503984 FXLIPURJDWWNHA-ZDUSSCGKSA-N 385.455 3.885 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 538468213 VEXQLJPNWIZMCF-KRWDZBQOSA-N 391.254 3.829 0 40 GHAB Cc1nc(Cl)sc1S(=O)(=O)Nc1ccccc1C(=O)N1CCCCC1 32809634 LGCFLGDBRWLZSN-UHFFFAOYSA-N 399.925 3.532 0 40 GHAB COC(=O)c1cc(NC(=S)Nc2cccc(Cl)c2F)cc(C(=O)OC)c1 71326188 GBOGHGGXEQIREP-UHFFFAOYSA-N 396.827 3.861 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc(-c2cccc(C(=O)O)c2)o1 71283698 GPAYFGRVDPVINU-ZDUSSCGKSA-N 381.388 3.839 0 40 GHAB Cc1ccccc1N(CC(=O)NCC(C)C)S(=O)(=O)c1ccc(Cl)cc1 33685711 KLCIBEKNMQYSHH-UHFFFAOYSA-N 394.924 3.616 0 40 GHAB Fc1ccc2[nH]c3nc(SCc4nnc(-c5ccccc5)o4)nnc3c2c1 35290090 LEUPOHCDHJVUJS-UHFFFAOYSA-N 378.392 3.988 0 40 GHAB CC(C)c1ccc(OCCc2cc([C@H]3CCN(Cc4ccnn4C)C3)n[nH]2)cc1 72371592 WEXMRYIFFWXAJA-IBGZPJMESA-N 393.535 3.878 0 40 GHAB CC(=O)[C@@H]1C[C@@H](C(=O)N(C)c2ccccc2I)C1(C)C 222374234 QEUUGDPOMABRGB-RYUDHWBXSA-N 385.245 3.505 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220470364 FNPPIYMPRBKUKK-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB COc1ccccc1-c1c2c(=O)n([C@@H]3CCCC[C@H]3C)ccc2nc2ncnn12 40398149 GLGALRXNRVUWDP-RHSMWYFYSA-N 389.459 3.866 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C 225214093 XKEWWSOWUQXCBR-GOSISDBHSA-N 384.545 3.700 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 224751759 NWLVLSGOGXJDGZ-CQSZACIVSA-N 394.924 3.546 0 40 GHAB COc1cccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225652196 CRMGPNDLPMNCKN-SFHVURJKSA-N 382.504 3.570 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 225568201 LOFWDHSZRZZEJB-QGZVFWFLSA-N 386.517 3.579 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 222954635 QUHSPKRFUXMJDC-NRFANRHFSA-N 382.504 3.742 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 222395463 YDHLIVQOGZNOTR-GOSISDBHSA-N 382.504 3.661 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1OC 222775711 RDYULYRZHBAKCQ-UXHICEINSA-N 378.501 3.873 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1C 225661696 BPQAFHFVPFZRBO-IBGZPJMESA-N 375.490 3.847 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1CN1CCCC1 224788207 BYPSLUDEBSVYRS-JOCHJYFZSA-N 382.504 3.765 0 40 GHAB COCCNC(=O)c1cc(-c2csc(-c3csc(C)n3)n2)n2ccccc12 96154862 NEOLAJZYHZXBDZ-UHFFFAOYSA-N 398.513 3.871 0 40 GHAB COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)NCC5CC5)n4)n3c2)c1 96155443 GYXHCSZVXUCIAN-UHFFFAOYSA-N 386.455 3.940 0 40 GHAB Cc1cc([C@H]2CCCCN2C(=O)Cc2cccnc2)nc(-c2c(C)noc2C)n1 257244296 IKSHPCFPFWIFRP-LJQANCHMSA-N 391.475 3.748 0 40 GHAB Cc1noc(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21 257198653 FNTZOFACFLKARG-JROBLHLSSA-N 383.536 3.646 0 40 GHAB O=C(c1cccnc1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)c(Cl)c3)CO2)C1 257207016 BFZBKLDZPNQPTP-UZLBHIALSA-N 390.842 3.717 0 40 GHAB O=C1CCCC[C@]2(CN(C(=O)c3ccc4c(c3)CCC4)C[C@H]2c2ccccc2)N1 257282656 OUQRTOJZDDSXOA-WIOPSUGQSA-N 388.511 3.844 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 260790348 BLBURBWMNJRLHI-GJZGRUSLSA-N 388.961 3.827 0 40 GHAB COC(=O)[C@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)c1ccccc1F 610692646 HKKRUKLSYMPALR-MEDUHNTESA-N 383.341 3.979 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1)C1CC1 644955306 URJXEZYFPHTYPK-SFHVURJKSA-N 399.564 3.796 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@@H](C)C2)C3)s1 585104590 QUZBAIWXQTXYRT-QAPCUYQASA-N 391.581 3.503 0 40 GHAB Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(C(F)(F)F)nc2)C(C)C)cc1 677781329 UFFIPVOUOMZEMJ-MRXNPFEDSA-N 379.382 3.802 0 40 GHAB COc1ccc(CNC(=O)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)cc1 1075999314 RWTOEZMPPFKTFW-SCPDWHHUSA-N 395.547 3.800 0 40 GHAB COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)C(C)(C)C)cc1 5624896 LJVWDOODBNHDQZ-UHFFFAOYSA-N 393.487 3.549 0 40 GHAB Cc1c(Cl)cccc1NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 5898485 WWZUDMCOBZNRKX-UHFFFAOYSA-N 383.926 3.708 0 40 GHAB CCCOc1ccccc1NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O 11282394 ADCOPERDYDDSAU-MRXNPFEDSA-N 395.459 3.580 0 40 GHAB CC(C)(C(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2)c1ccc(Cl)cc1 12117898 RONLVXMTTJSTKN-UHFFFAOYSA-N 397.906 3.792 0 40 GHAB Cc1nc(C)c(C(=O)N2C[C@@H](c3cc(C(F)F)[nH]n3)[C@H](c3ccccc3)C2)o1 12129239 KZCWTMMWSBOLGM-LSDHHAIUSA-N 386.402 3.976 0 40 GHAB CCOc1ccc2cc(CNc3cc(OC)c(OC)c(OC)c3)c(=O)[nH]c2c1 12144295 WJQJHHLWDCYFGJ-UHFFFAOYSA-N 384.432 3.565 0 40 GHAB COc1cc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc(OC)c1 12148005 ZMGUEXOCSNORCR-UHFFFAOYSA-N 390.443 3.652 0 40 GHAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)Cc2cccc(F)c2)C1 12221043 FNDNMWLFHZFZLV-GOSISDBHSA-N 382.483 3.588 0 40 GHAB Cc1ccc(-c2ccccc2CC2(C(=O)NCCCO)CCOCC2)c(C)c1 12366599 NHVUCNISWLHOLK-UHFFFAOYSA-N 381.516 3.808 0 40 GHAB CC(C)CC(=O)Nc1cccc(OCc2cc(=O)n3nc(C4CC4)sc3n2)c1 13368295 LIZNOGBZUPTDDM-UHFFFAOYSA-N 398.488 3.592 0 40 GHAB CC[C@@H](C(=O)NCc1ccccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 13712175 SUPWUWNFQYGPLC-SFHVURJKSA-N 394.924 3.509 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1OC 13995900 VLXUOYAPIMHHIR-ZRDIBKRKSA-N 380.444 3.592 0 40 GHAB C[C@H](Cn1cc(Cl)cn1)C(=O)N1CCC[C@@H](COc2ccccc2F)C1 19457295 PQDAQLJBQZJWTC-HUUCEWRRSA-N 379.863 3.629 0 40 GHAB CCCNC(=O)c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 19503728 IFPLCHBAMTXVNA-KRWDZBQOSA-N 378.476 3.742 0 40 GHAB CCc1nc2ccccc2n1CCC(=O)Nc1nc(-c2cnn(C)c2C)cs1 19665822 ASTLXCLVTUOZEV-UHFFFAOYSA-N 394.504 3.793 0 40 GHAB CCn1ncc(-c2cc(C(=O)Nc3cccc(Cn4ccnc4C)c3)on2)c1C 19719061 ATKYTILUZJRRLM-UHFFFAOYSA-N 390.447 3.672 0 40 GHAB Cc1nc([C@H]2CCCN2C(=O)C2CCC2)ncc1C(=O)Nc1ccc(F)cc1 19766337 AGHSIUUDZKPKQC-GOSISDBHSA-N 382.439 3.640 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)C)no2)CC1 100750115 BTQNSDKQEFHXHE-FVJLSDCUSA-N 398.507 3.607 0 40 GHAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)C1(c2ccc(F)cc2)CCCC1 12141980 ZEGBWNUIWNMUCF-OAHLLOKOSA-N 382.435 3.750 0 40 GHAB Cc1nn(C)c(Cl)c1CN1Cc2ccccc2OC2(CCC(CO)CC2)C1 12126497 GUVGGMQCKHOVOX-UHFFFAOYSA-N 389.927 3.698 0 40 GHAB N=c1nc([C@H]2CCCN(Cc3ccc(Br)c4cccnc34)C2)cc[nH]1 584239340 UPLBSGFPUYPRGZ-ZDUSSCGKSA-N 398.308 3.579 0 40 GHAB CC[C@H](CNC(=O)C(=O)c1ccc(O)cc1)Cc1cccc(Br)c1 1136859004 YAHKVVLTCAEZIE-ZDUSSCGKSA-N 390.277 3.723 0 40 GHAB Cc1ccc(F)cc1CN1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037981086 UFRZIMVLBWVIBS-HSZRJFAPSA-N 382.479 3.922 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)N1C[C@H]2CCN(c3ncccc3F)CC[C@H]2C1 2056224784 VUZPBUVDGDLKQD-OKILXGFUSA-N 390.409 3.879 0 40 GHAB COc1ccc([C@@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCCC3)cc1OC 2974654 NRDODKAIBKSJBD-QHCPKHFHSA-N 381.496 3.663 0 40 GHAB CCOc1ccccc1NC(=O)Cn1nc(-c2cc(C)c(C)cc2C)ccc1=O 5410359 GAQHBHACBGKZAI-UHFFFAOYSA-N 391.471 3.873 0 40 GHAB CC[C@@H](C)NC(=O)Cc1csc(SCC(=O)c2ccc(OC)cc2)n1 11695013 UFYZNQQHMCCXKU-GFCCVEGCSA-N 378.519 3.584 0 40 GHAB COc1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)cc1OCc1ccccc1F 15082055 RVEDUZHGCUBBSF-ZDUSSCGKSA-N 399.447 3.926 0 40 GHAB COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1cc(Cl)ccc1C 15881286 PRDOLRMYEPUBJN-UHFFFAOYSA-N 383.835 3.764 0 40 GHAB O=c1[nH]nc(SCc2ccc(F)cc2Cl)n2nc(-c3ccco3)cc12 16844111 IQJCFBGEWCELQP-UHFFFAOYSA-N 376.800 3.762 0 40 GHAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCOCC1 23182629 RXORUYSBLFGGNO-GUYCJALGSA-N 379.913 3.985 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1cc(-c2cccnc2)cn1 585148406 ZTQMZPZBKKUQSG-UHFFFAOYSA-N 384.867 3.572 0 40 GHAB CC[C@@H](C(=O)NCc1ccccc1CN1CCN(CC)CC1)c1ccccc1 40089827 VNIODAKUFQDNNN-HSZRJFAPSA-N 379.548 3.634 0 40 GHAB O=C1CN(c2ccc(NC(=O)c3sccc3-c3ccccc3)cc2)CCN1 40108793 OMMICUWENFAOGL-UHFFFAOYSA-N 377.469 3.604 0 40 GHAB O=C(Cc1ccc(F)cc1)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 30441185 UWSHOLBKRMXDAL-UHFFFAOYSA-N 392.386 3.988 0 40 GHAB Cc1c(C(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)c2ccccc2n1C 40267153 VGKHEDAPRBPGKA-UHFFFAOYSA-N 375.403 3.732 0 40 GHAB O=C(c1cc(Br)c[nH]1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 50661806 SCOABZHSEAQEIP-HNNXBMFYSA-N 381.245 3.738 0 40 GHAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)COC(=O)c2cnn(C)c2)cc1 11204109 MTIXHHFSECDBTH-UHFFFAOYSA-N 399.834 3.970 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3C)cc2c1 790367 LZPZBIUEHVSPHB-FQEVSTJZSA-N 390.483 3.966 0 40 GHAB CC(C)Nc1nc(Cl)nc(Nc2ccc(I)cc2)n1 854123 CFODSAANOUHQSM-UHFFFAOYSA-N 389.628 3.694 0 40 GHAB Cc1ccc(NCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)cc1 905061 SFYZYXSHORTQAX-UHFFFAOYSA-N 385.468 3.606 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)Cn1ccc3ccc(Cl)cc31)CC2 32091280 MOTFLGZRHOKGLA-UHFFFAOYSA-N 384.863 3.897 0 40 GHAB biogenic O=C(CSc1nnc(COc2cccc3cccnc23)o1)N1CCCCCC1 1223340 JKKZTBHECPAMGF-UHFFFAOYSA-N 398.488 3.692 0 40 GHAB CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O 1366507 AJRWNISDAXAPBJ-UHFFFAOYSA-N 392.455 3.812 0 40 GHAB CCOc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1OC 1379596 RDHQWNTYWPEHLF-QGZVFWFLSA-N 383.448 3.729 0 40 GHAB O=C(CCCOc1ccc(Cl)cc1Cl)N[C@@H](Cc1ccccc1)C(=O)O 1655949 OTMVTHCQIOTFSS-INIZCTEOSA-N 396.270 3.965 0 40 GHAB O=C(C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cccc2ccccc12 20714522 NFUDRADMTUPFEE-GOSISDBHSA-N 383.411 3.620 0 40 GHAB CSc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)C=C(C(=O)O)N2 101446948 MOWWOFLFVYVRKT-KRWDZBQOSA-N 394.456 3.562 0 40 GHAB CSc1cccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c1 6876335 ORJLOASHNPNACL-UHFFFAOYSA-N 398.440 3.948 0 40 GHAB CCCOc1ccc([C@@H](C)NC(=O)CN2CCSC2=O)cc1OCCC 7437644 VEJBFXWRTXYKJV-CQSZACIVSA-N 380.510 3.610 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1ccc2c(c1)OCO2 7719427 OAQKSCJMALNPOI-UHFFFAOYSA-N 390.424 3.519 0 40 GHAB O=C(Cc1cc2c(cc1Br)OCCO2)Nc1cc(F)ccc1F 32740602 ISMIQYDZLPMYGP-UHFFFAOYSA-N 384.176 3.680 0 40 GHAB CSc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1 11836481 MBRJSQAZCGVMQF-UHFFFAOYSA-N 396.559 3.897 0 40 GHAB Cc1cccc(N2CCN(CCCNC(=O)Cc3ccccc3Cl)CC2)c1 32824790 OSXAONQCWBKENR-UHFFFAOYSA-N 385.939 3.519 0 40 GHAB COc1ccc(C(=O)Oc2ccccc2-c2cc(=O)n3c(n2)CCCCC3)cc1 8474024 HZARZTLLZUVSEH-UHFFFAOYSA-N 390.439 3.865 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cccc(Cl)c2)CC1 10216118 LGKSUGAQWCBPIR-UHFFFAOYSA-N 386.835 3.560 0 40 GHAB Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 102076856 UAFQWEXSJXVBLA-ILHTXMRTSA-N 399.446 3.772 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N[C@H](C)c2ccc(Cl)cc2)cc1 57452177 OIUGKDHCZVGRGH-HZPDHXFCSA-N 387.911 3.785 0 40 GHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 877421 NUEDNRXMCZHKHS-UHFFFAOYSA-N 389.908 3.612 0 40 GHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cc(-c3ccccc3)on2)c1 23009524 JHHIHHOVGOKEIH-UHFFFAOYSA-N 390.443 3.683 0 40 GHAB CCOC(=O)c1nc2sc3c(c2c(=O)n1Cc1ccc(C)cc1)CCCC3 956597 OYYRAMCXFPVJSM-UHFFFAOYSA-N 382.485 3.870 0 40 GHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 104716033 RHZLNAPNCFWVBN-XJABCFGWSA-N 376.500 3.951 0 40 GHAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 23296642 XFJSWEFRHRUXFA-DNVCBOLYSA-N 396.516 3.566 0 40 GHAB O=S(=O)(Nc1cccc(-c2nnc3n2CCC3)c1)c1ccc2c(c1)CCCC2 24426713 BBTDSYAJHWWZDP-UHFFFAOYSA-N 394.500 3.571 0 40 GHAB Cn1ccnc1[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1 24986678 KWGUXUVDGSTHGS-HSZRJFAPSA-N 387.483 3.778 0 40 GHAB CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(F)c3)C(=O)N2C2CC2)cc1 1443504 JVAOWUFOCNLBKT-IBGZPJMESA-N 395.434 3.717 0 40 GHAB Cc1cccc(NC(=O)c2nnn(CC(=O)Nc3ccc(Cl)cc3)c2C)c1C 67322464 XKWMIINEPRKNQP-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB Cn1cc(-c2nc(C(=O)Nc3nc4cc(F)c(F)cc4s3)cs2)cn1 58298294 KAVNRTVEZMCOJN-UHFFFAOYSA-N 377.401 3.684 0 40 GHAB COCCOC(=O)c1c(C)oc2ccc(OCc3ccc(C(=O)OC)o3)cc12 2109511 OINHLHJYJFOLMS-UHFFFAOYSA-N 388.372 3.503 0 40 GHAB biogenic CCOC(CNc1ncnc2c1cnn2-c1cc(Cl)ccc1C)OCC 27816349 AXHYGTIITOWRMK-UHFFFAOYSA-N 375.860 3.588 0 40 GHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCc2ccccc21 2286147 CMIYMWHBLLWGMK-UHFFFAOYSA-N 377.444 3.654 0 40 GHAB aggregator COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc(OC)c1OC 28125967 RIKNGGXMZAICRT-UHFFFAOYSA-N 386.473 3.946 0 40 GHAB COc1ccc(-c2n[nH]c(C)c2CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 96118842 UYHYJEPTWRXLBV-AWEZNQCLSA-N 389.459 3.690 0 40 GHAB Cc1cccc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)c1 306140890 VGEVRNGKYZLVRB-RTWAWAEBSA-N 392.528 3.643 0 40 GHAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3OC)n2C)cc1 3391565 KRBVOHHZNPQLSY-CYBMUJFWSA-N 383.473 3.863 0 40 GHAB Cc1ccc([C@H](NC(=O)Cn2cnc3sccc3c2=O)c2cccs2)cc1 12940350 SPFRUWLSFLRUQU-SFHVURJKSA-N 395.509 3.734 0 40 GHAB O=c1cc(-c2ccccc2)c2cc(Cl)c(Oc3ccc4nnnn4n3)cc2o1 12999592 JAVRTEJKKBWUMJ-UHFFFAOYSA-N 391.774 3.738 0 40 GHAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 12908068 BCJLKRJTYUHUOK-QQHRNGFRSA-N 394.537 3.810 0 40 GHAB CN(Cc1ccccc1)C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 13004634 OBQGQSUNVLGCKZ-UHFFFAOYSA-N 384.435 3.755 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 21875749 RQNLGMMTJQBNAU-KBXCAEBGSA-N 392.546 3.535 0 40 GHAB O=C(CSc1nnc(N2CCCC2)n1C1CC1)Nc1cc(Cl)ccc1F 8750653 ZLXKOAUBHGCXGK-UHFFFAOYSA-N 395.891 3.737 0 40 GHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)N1CCCCCCC1 22133545 OXKZIUMQKPAEIB-UHFFFAOYSA-N 394.537 3.991 0 40 GHAB O=C(O)C[C@]1(C(=O)NC2CCCCCC2)CC(c2ccc(Cl)cc2)=NO1 5452175 IRDXRFYDYBMYQS-IBGZPJMESA-N 378.856 3.517 0 40 GHAB O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1ccc(F)cc1 5453898 RXWFQWFCQHIOMS-UHFFFAOYSA-N 381.230 3.590 0 40 GHAB CC(C)NC(=O)COC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 5491758 MPXGBOADNYABMV-UHFFFAOYSA-N 387.288 3.727 0 40 GHAB COc1ccccc1NC(=O)Cc1noc(CSc2nc3ccccc3o2)n1 6566260 CTDQCBQUVJOXHG-UHFFFAOYSA-N 396.428 3.693 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc2C1)c1ccccc1 6560911 LGFFKTQHKRLZCA-QHCPKHFHSA-N 384.479 3.613 0 40 GHAB CCc1cc2c(SCC(=O)NC(=O)NC3CCCCC3)ncnc2s1 6619309 CZDNCCAITUKSDE-UHFFFAOYSA-N 378.523 3.504 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Cl)cc1 4700725 DXAKDFWDQHIKEF-UHFFFAOYSA-N 380.897 3.598 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)C2CC2)c1 14821862 ZJBFYISOIPXLGT-UHFFFAOYSA-N 388.489 3.858 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Cl 6839394 GSGGXZPASLSHKR-UHFFFAOYSA-N 378.881 3.904 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC(C(=O)NCc3ccccc3)CC2)c1 15032117 XOTTZWIARRDIKC-LJQANCHMSA-N 393.531 3.659 0 40 GHAB C[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1cc(F)c(Cl)cc1Cl 7139307 KJRJZXBPGCGZEE-QMMMGPOBSA-N 380.206 3.860 0 40 GHAB COc1cc(SC)ccc1C(=O)OCc1nc(-c2ccccc2OC)no1 7131344 HYCVDPXCUMNEBB-UHFFFAOYSA-N 386.429 3.833 0 40 GHAB CCn1c(=O)c(C)nc2cc(C(=O)N(Cc3ccc(F)cc3)C3CC3)ccc21 7191879 SPFWXTVJVQZGTP-UHFFFAOYSA-N 379.435 3.669 0 40 GHAB C[C@H]1CCc2c(C(=O)O[C@@H](C(=O)N3CCOCC3)c3ccccc3)csc2C1 15514014 JDMWMGJEPZEERD-MGPUTAFESA-N 399.512 3.630 0 40 GHAB COc1cc(C(=O)N[C@H](C)COc2ccc(Cl)cc2)cc(OC)c1OC 80344843 JQLPYGWTNJMLHG-GFCCVEGCSA-N 379.840 3.563 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccc(F)cc2F)c1 7717179 KYHVQFAVMCQMTM-GOSISDBHSA-N 376.403 3.758 0 40 GHAB Cc1cccc(N2N=C(C(=O)N(CC(F)(F)F)[C@H](C)C3CC3)CCC2=O)c1 7737098 HKBSWLLSQBRNCT-CYBMUJFWSA-N 381.398 3.667 0 40 GHAB Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)c1 16269323 SOEQELOASYXRKS-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB COc1ccc(C(C)=O)cc1COC(=O)c1ccccc1NC(=O)NC(C)C 16467019 CUFLIOOCNNHOKE-UHFFFAOYSA-N 384.432 3.785 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)cc1)Cc1cc(Cl)cc2c1OCOC2 8036636 LQGKHRQSDOGPJI-UHFFFAOYSA-N 381.259 3.930 0 40 GHAB Cc1[nH]c2ccccc2c1CC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 68928833 VMTVQCZMLKWQFV-OAHLLOKOSA-N 383.442 3.940 0 40 GHAB COc1ccc(CCNC(=O)c2ccc(F)cc2Br)cc1OC 8135849 WRPCYYAXEANORY-UHFFFAOYSA-N 382.229 3.578 0 40 GHAB C/C=C/C=C/C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 8294918 CCYICXQELNJNFH-YTXTXJHMSA-N 386.473 3.875 0 40 GHAB Cc1ccc(F)cc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 20024170 GOTGOTPUNGJRAX-UHFFFAOYSA-N 392.496 3.782 0 40 GHAB COc1ccc(Br)cc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409204978 MRMXMISCNFECJP-XNTDXEJSSA-N 387.233 3.551 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c(OC)c1 84651693 AYSFAWNHUCRERT-CQSZACIVSA-N 378.428 3.550 0 40 GHAB CC(C)[C@H](NC(=O)C[C@H]1OCCc2ccsc21)c1nc(-c2cccnc2)no1 95349304 IAQWWAIYXYAOSL-WBVHZDCISA-N 398.488 3.711 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)c1 408688188 WKKYFEOCNABBNN-IEBWSBKVSA-N 390.439 3.793 0 40 GHAB COc1cc(C(=O)N(C)Cc2cccc(OC)c2OC)cc(Cl)c1OC 23057861 UKZLCWKANFAUON-UHFFFAOYSA-N 379.840 3.647 0 40 GHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O 409095610 IAIZZPDSSBWHAX-MPMPPSQCSA-N 384.457 3.692 0 40 GHAB COc1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 20612019 DTINWJFYSNRLBQ-UHFFFAOYSA-N 386.879 3.517 0 40 GHAB Cc1cccc(Oc2cc(CNC(=O)N3C[C@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)ccn2)c1C 514843709 AAFHBSAZJBSNQH-KOUHRCEDSA-N 391.471 3.586 0 40 GHAB Cc1cccnc1Nc1ccc([C@H]2CCCN(C(=O)c3cn(C)nc3C)C2)nc1 72353339 SFTXCXFVVJCOHK-KRWDZBQOSA-N 390.491 3.590 0 40 GHAB COC(=O)c1ccc(CN2CCN(Cc3c(F)cccc3Cl)CC2)cc1 32679552 IDRVRIUAVWQLBP-UHFFFAOYSA-N 376.859 3.584 0 40 GHAB CC[C@H](Sc1nnc2cc(C)c3ccccc3n12)C(=O)Nc1cc(C)on1 32837581 MTRUVGPNIUJCGY-HNNXBMFYSA-N 381.461 3.997 0 40 GHAB COc1cccc(C(=O)N2[C@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)c1 71980496 HEVMWBLAFZWQLK-LBKMDBTOSA-N 375.465 3.553 0 40 GHAB Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 31058077 OTHAZOVCXRNQLF-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB Cc1cccc(Cc2cccc([C@@H]3CCCN(CC(=O)N4CCCC4)C3)n2)c1 72348778 FUESCDUSYCFDFH-OAQYLSRUSA-N 377.532 3.783 0 40 GHAB O=c1ccccn1Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 40135018 XDHAEUSLZXWZJN-UHFFFAOYSA-N 394.496 3.576 0 40 GHAB NC(=S)c1ccc(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1 61651111 FEKOXLKQNFUJNI-UHFFFAOYSA-N 388.492 3.853 0 40 GHAB O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccc(Br)o1 48344286 FBFXZSFILWJZAB-UHFFFAOYSA-N 378.144 3.913 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 224552244 NYPDEAUKRAGEEK-JOCHJYFZSA-N 396.531 3.953 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(OC(C)C)c3)ccc21 223847857 YPJKRXBYXIEJCC-UHFFFAOYSA-N 388.489 3.574 0 40 GHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2c(C)cc(C)cc2C)cc1Cl 224963828 JKQGSPWARRVDJF-UHFFFAOYSA-N 397.880 3.554 0 40 GHAB O=C(NCCCOC1CCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 223122682 HPXGATQPWFUAQJ-SILNSSARSA-N 382.460 3.516 0 40 GHAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1C 223416165 KGQQHPLPJCSWIS-ZWKOTPCHSA-N 388.533 3.644 0 40 GHAB COC(=O)c1cc(NC(=S)NCCCN2CCC(C)CC2)ccc1Cl 225436619 LUZSYAGPJBPFQD-UHFFFAOYSA-N 383.945 3.535 0 40 GHAB COC(=O)c1cccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1C 224939589 JJQLVUCBJNGLIJ-UHFFFAOYSA-N 388.272 3.914 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)COC1CCCCC1 40140949 GPYPQRJYRHQDRL-UHFFFAOYSA-N 397.313 3.504 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 224630397 XGXJBEYYKYJHFZ-FQEVSTJZSA-N 386.923 3.869 0 40 GHAB COc1ccc(CNC(=S)Nc2ncc(Cl)cc2Br)cc1 223924406 WTIFDDUBDPBRBA-UHFFFAOYSA-N 386.702 3.993 0 40 GHAB C[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2cccs2)no1 95482307 NOHGTVYXRDOQTF-LLVKDONJSA-N 377.853 3.877 0 40 GHAB COc1ccccc1C(=O)NC1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1 98212666 JFUMOSMXXAIOCK-UHFFFAOYSA-N 394.450 3.623 0 40 GHAB O=C(Cc1cccnc1)N1CCC[C@H]1c1nnn2cc(-c3ccccc3)ccc12 96267874 RLNYYSGCQXDSTN-FQEVSTJZSA-N 383.455 3.698 0 40 GHAB Cc1ncsc1C(=O)N1CC[C@@H](Cc2cccc(-c3c(C)noc3C)n2)C1 257321725 WCZBZJGZHLPYGQ-HNNXBMFYSA-N 382.489 3.823 0 40 GHAB Cc1cccc(Nc2cccc([C@H]3CN(c4cc(C)nc(C)n4)CCO3)n2)n1 257284190 PBPRNFMOXYECEL-GOSISDBHSA-N 376.464 3.513 0 40 GHAB Cc1[nH]nc(C(F)(F)F)c1C(=O)NCCc1csc(-c2ccccc2)n1 674692905 JQCJOIMBGQQRDJ-UHFFFAOYSA-N 380.395 3.833 0 40 GHAB O=C(c1ccc2nsnc2c1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 96119089 GYOOENWHRPICKS-GFCCVEGCSA-N 397.485 3.823 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 12913140 CITVHCSMZPUASE-CQSZACIVSA-N 377.444 3.558 0 40 GHAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 14398128 BCPLYNMZMMSMDE-IBGZPJMESA-N 396.487 3.702 0 40 GHAB O=C1c2ccccc2-c2nc(N3CCOCC3)nc(-c3ccc(Cl)cc3)c21 17077291 NJWBBOGVCMLLTI-UHFFFAOYSA-N 377.831 3.845 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 17303188 KBUNXLXSELJVLV-UHFFFAOYSA-N 388.427 3.700 0 40 GHAB CC[C@H](NC(=O)c1cnc(N2CCC(C)CC2)nc1C)c1c(C)nn(CC)c1C 19663585 VNCGGGKXQDTCJE-IBGZPJMESA-N 398.555 3.736 0 40 GHAB CCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)CC3)C1 19739376 AYNFVQKHDXRMGZ-SFHVURJKSA-N 398.551 3.761 0 40 GHAB Cc1cc(C)cc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 165724942 XCLDXKHMTHGSDI-LRGYGIHKSA-N 386.451 3.867 0 40 GHAB C[C@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 8268007 LDSBQBJYVULNTQ-GQVHDAKQSA-N 378.881 3.777 0 40 GHAB Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=N[C@H]2[C@@H]1CC=CCC1 9698404 QPTNASMQKBVINM-CRAIPNDOSA-N 383.883 3.631 0 40 GHAB CC(C)c1ccccc1OCC(=O)N1CCC[C@H]1c1nnc(-c2ccccn2)o1 19453379 FYFMKPHLUUBPND-SFHVURJKSA-N 392.459 3.998 0 40 GHAB COc1ccc(CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)cc1C 19571207 GYAVCKAOISJJHT-PQNGQFLHSA-N 396.506 3.774 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N(C)[C@@H](C)c3ccc(F)cc3)ccc21 10519723 DOPVJIOSAFWAHG-AWEZNQCLSA-N 390.480 3.507 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1OC 28328755 FNWGNCTUMZAJCT-NSHDSACASA-N 389.395 3.762 0 40 GHAB Cc1c(NC(=O)c2ccc(I)cc2)cccc1C(=O)O 20138333 UUSZADXONNUCDL-UHFFFAOYSA-N 381.169 3.550 0 40 GHAB COc1c(F)c(F)cc(C(=O)N2[C@H]3CC[C@H]2CC(Oc2ccncc2)C3)c1F 238917541 SREUVKZNVOZVRZ-RYUDHWBXSA-N 392.377 3.722 0 40 GHAB Cc1cccnc1CN1CC[C@H]2NC(=O)COc3ccccc3CCCC[C@H]2C1 2037844517 VFCYDRBSBOEUPT-LEWJYISDSA-N 393.531 3.502 0 40 GHAB Cc1cccc(C)c1CN1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037978012 IVIAPEUJSTWZLE-UHFFFAOYSA-N 382.479 3.841 0 40 GHAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)C(C)(C)C)cc(Cl)c1O 716220 NQCWSTXSEFWPAN-BMIGLBTASA-N 396.871 3.660 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CCCCC2)n1N 8978219 PUDTVVVFDSYDAZ-UHFFFAOYSA-N 379.917 3.732 0 40 GHAB COc1ccc(C(=O)Nc2nc(CC(=O)Nc3cccc(F)c3)cs2)cc1 9628016 JSOPLILPDGLSJE-UHFFFAOYSA-N 385.420 3.724 0 40 GHAB O=C(/C=C\c1ccccc1)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1 11695714 FMNFAMBJIXLXPX-KTKRTIGZSA-N 392.890 3.888 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(c2cnc3ccccc3n2)C1 12414728 UQSWDYVBVZCAMC-INIZCTEOSA-N 380.879 3.816 0 40 GHAB Cc1ccc(COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)cc1 17041654 DWLJCYATZAVNFW-UHFFFAOYSA-N 375.472 3.824 0 40 GHAB Cc1[nH]c2ccccc2c1CC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 25085750 XTZUYWRYIBLTQY-UHFFFAOYSA-N 394.450 3.534 0 40 GHAB O=C(NCc1ccc2c(c1)OCCO2)c1ccccc1C(=O)c1ccc(F)cc1 40052274 AWGJKQPEIKJMFZ-UHFFFAOYSA-N 391.398 3.758 0 40 GHAB O=S(=O)(c1cccc(NC[C@H]2CC2(Cl)Cl)c1)N1CCCCCC1 40057051 FTEUSEBDWZQKQC-CYBMUJFWSA-N 377.337 3.857 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(Cl)c3cccnc23)cc1NS(C)(=O)=O 40059525 HSVSOPGYVFKNOU-UHFFFAOYSA-N 389.864 3.820 0 40 GHAB CN1CCN(C(=O)c2ccc(OCc3ccncc3)cc2)[C@H](c2ccccc2)C1 40069891 HQQAUIVNIVCHBX-QHCPKHFHSA-N 387.483 3.790 0 40 GHAB CN(Cc1ccsc1)C(=O)COC(=O)c1cccc(NC(=O)C(C)(C)C)c1 40049424 WZYUKHXYHRHRNE-UHFFFAOYSA-N 388.489 3.548 0 40 GHAB CCOc1ccc(N/C=C(/C(=O)OC)S(=O)(=O)c2ccc(CC)cc2)cc1 100025868 OPYIYDNTVJAKJY-RGEXLXHISA-N 389.473 3.548 0 40 GHAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(OC[C@H]2CCCO2)cc1 40145783 XLALOADGNCDHBH-QGZVFWFLSA-N 399.472 3.927 0 40 GHAB CCN(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 40103833 VRIHDQJZTSFFDQ-HXUWFJFHSA-N 397.519 3.923 0 40 GHAB Cc1noc(-c2ccc(NC(=O)c3cc4c(C)nn(C)c4nc3C)c(C)c2)n1 40152704 YBHBIQCEHWNHFG-UHFFFAOYSA-N 376.420 3.504 0 40 GHAB CCCCNC(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@@H]1c1cnn(CC)c1 36612506 SZPRKOHPNCWZFG-NRFANRHFSA-N 395.507 3.850 0 40 GHAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1nccs1 9048091 SVOLDTOYYZYRQB-UHFFFAOYSA-N 394.408 3.640 0 40 GHAB biogenic CC(C)(C)OC(=O)NCCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8093838 SRZFMOGCNYCKFW-AWEZNQCLSA-N 389.521 3.917 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 796359 SGTLOEZORSTAJT-UHFFFAOYSA-N 395.532 3.907 0 40 GHAB Cc1nc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)s2)cs1 11566421 YABWQYNEMIQOMB-UHFFFAOYSA-N 376.528 3.927 0 40 GHAB Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 1377112 HXELDYRZCKHWSK-ZDUSSCGKSA-N 396.516 3.680 0 40 GHAB Cn1ncc(C(=O)O)c1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 20616723 XWGMPSNDGAUJIT-UHFFFAOYSA-N 396.790 3.832 0 40 GHAB Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCOCC2)oc2ccc(Cl)cc12 20663644 BFSSMLYYUHURQL-INIZCTEOSA-N 388.851 3.791 0 40 GHAB CCN(CCO)c1nc(SC(C)C)nc2sc3c(c12)CC(C)(C)OC3 2431376 HZJLFYXNABTDFK-UHFFFAOYSA-N 381.567 3.862 0 40 GHAB COCC(=O)Nc1cccc(CNC(=O)c2sc3cccc(F)c3c2C)c1 29260846 XXXCHYSTOBRKDN-UHFFFAOYSA-N 386.448 3.864 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc2c(c1)OCCO2 3228951 WBKVOWUVLGHLCM-HFTRVMKXSA-N 376.449 3.619 0 40 GHAB COC(=O)c1ccc(CSc2nnc(NC(=O)c3ccccc3)s2)cc1 3286153 WRFMAURUNRLQAP-UHFFFAOYSA-N 385.470 3.869 0 40 GHAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C(C)C)cc1 3501823 PCMJIULMFDPSNH-UHFFFAOYSA-N 383.477 3.525 0 40 GHAB COc1ccc([C@H](CC(=O)N[C@H]2CCSc3ccccc32)NC(C)=O)cc1 11741778 NZPJJEKIQANFSZ-OALUTQOASA-N 384.501 3.616 0 40 GHAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O 7979513 RPJCBJZZGISYMX-INIZCTEOSA-N 383.256 3.705 0 40 GHAB CNc1snc(C)c1C(=O)OCc1csc(-c2cccc(OC)c2)n1 16552738 WWCUGJKEBYFJGG-UHFFFAOYSA-N 375.475 3.982 0 40 GHAB Cc1ccccc1CNC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 8481213 DZFFRSPPIPQRGD-UHFFFAOYSA-N 394.924 3.511 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccs3)nc3onc(C)c23)C1 32878721 YRNDNCQINWOJAU-ZDUSSCGKSA-N 399.472 3.675 0 40 GHAB Cc1nc(C(=O)NCCCO[C@H](C)c2ccccc2)nn1-c1ccc(F)cc1 32907577 FRBPVGBJGHADNW-OAHLLOKOSA-N 382.439 3.613 0 40 GHAB COC(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 9063281 PLBQWWDKATVALD-UHFFFAOYSA-N 386.879 3.977 0 40 GHAB O=C(NCCCc1nc2ccccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1 9756151 LAMCWZRKRZGBIT-UHFFFAOYSA-N 397.910 3.681 0 40 GHAB Cc1ccsc1C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 33187467 ADXAETLLSFNCQA-UHFFFAOYSA-N 382.407 3.674 0 40 GHAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)c1ccc2c(c1)CCC2 8157199 WOGZVBWDELUTTL-OAHLLOKOSA-N 375.519 3.593 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 59227260 OAQQDIZXDJHHMA-QGZVFWFLSA-N 380.444 3.553 0 40 GHAB Cc1ccccc1OCc1nnc(S[C@@H]2C[C@H](C)OC2=O)n1-c1ccccc1 8191281 WTNVIXQJLWQSOW-MAUKXSAKSA-N 395.484 3.951 0 40 GHAB Cc1sc2nc(SCC(=O)Nc3cccc(Cl)c3)n(C)c(=O)c2c1C 872867 RPNWJHRDAHJTMS-UHFFFAOYSA-N 393.921 3.996 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100117528 XJBXMVVYKZCECZ-AUWSIANWSA-N 381.520 3.669 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc34)C2)n1 47239473 NALRDJAHNBIRGC-HXUWFJFHSA-N 387.483 3.963 0 40 GHAB Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@]2(C)C[C@@]32NC(=O)c3ccccc3O2)o1 100178468 BHBTVKSATJLZAR-SQZWAXCWSA-N 394.471 3.549 0 40 GHAB CCN(CC)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3193405 XSCJUTPSLHLDSM-UHFFFAOYSA-N 380.467 3.750 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 24775325 VQRYHCJLMISQRB-RBUKOAKNSA-N 379.504 3.981 0 40 GHAB CCC1=NN(C(=O)CSCc2ccccc2Cl)[C@@](O)(C(F)(F)F)C1 20058527 OSPMPDSAZPNSEW-AWEZNQCLSA-N 380.819 3.822 0 40 GHAB C[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 10111951 QNXKQLJNHGZLDE-HNNXBMFYSA-N 388.533 3.871 0 40 GHAB Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c12 25002360 KQBPGISNWIWRRX-JTQLQIEISA-N 381.461 3.793 0 40 GHAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccccc2Cl)S(C)(=O)=O)c1 10328185 PIJSPUXLDYQAHF-CQSZACIVSA-N 380.897 3.750 0 40 GHAB C[C@@H]1CCCN(C(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)C1 10541451 KVYHJYXRODTQHL-QGZVFWFLSA-N 386.517 3.525 0 40 GHAB Cc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 10968535 VOAWWVNQKUOATF-HUUCEWRRSA-N 377.531 3.757 0 40 GHAB COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CC2)c(OC)c1 25292046 RTTVPYTWTIKYQC-UHFFFAOYSA-N 379.412 3.615 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3(c4cccc(C)c4)CC3)C2)nc1 56080569 XLQRAHPNUHQYGV-SFHVURJKSA-N 377.488 3.607 0 40 GHAB O=S(=O)(NCc1ccc(OCC(F)(F)F)cc1)c1ccccc1Cl 23440865 LBTQJZYYTMUKNS-UHFFFAOYSA-N 379.787 3.760 0 40 GHAB CCOC(=O)C1CCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 57341677 BUXVAUGYXLJMET-HXUWFJFHSA-N 384.451 3.781 0 40 GHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1c(Cl)nc2ccccn12 57638375 GYDDOCIKOAANLD-VQHVLOKHSA-N 383.835 3.778 0 40 GHAB CCN1CCN(c2ccc(NC(=O)C3=Cc4ccccc4OC3)c(C)c2)CC1 26908976 NHUJZTRZNOKDBQ-UHFFFAOYSA-N 377.488 3.551 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 22338513 WXLZTYZVBVFRPT-GOSISDBHSA-N 388.533 3.564 0 40 GHAB COc1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cn1 58113254 YBLMFYRJLYZEDS-CYBMUJFWSA-N 397.378 3.551 0 40 GHAB Cc1ccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1C 113965676 NRMYIAGTQYFPEV-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB C[C@H]1CCCN(C(=O)c2ccn(COc3ccc(Br)cc3)n2)C1 27973032 DBHFNPRKXSTCPL-ZDUSSCGKSA-N 378.270 3.554 0 40 GHAB CC(C)c1ccc(-n2nnnc2S[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 36390432 QGICGSFHFRAYTP-XHSDSOJGSA-N 387.553 3.771 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc(Br)cn2)o1 2327552 VWRCUWINFJVCRU-UHFFFAOYSA-N 395.238 3.526 0 40 GHAB COc1ccc(CNC(=O)COc2c(C)cc(Br)cc2Cl)cn1 10991037 WWEYNLVIAFEVSL-UHFFFAOYSA-N 399.672 3.510 0 40 GHAB C[C@@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(F)cc1 12774224 NQJREQLQRIKRJR-GFCCVEGCSA-N 399.491 3.813 0 40 GHAB Cc1ccc(-c2nc(C)c(C(=O)NCc3ccnc(N4CCCC4)c3)s2)o1 48311320 BFQPANHGLAGGIO-UHFFFAOYSA-N 382.489 3.945 0 40 GHAB O=c1c2c(-c3ccccc3)csc2ncn1C[C@@H](O)COc1ccc(F)cc1 12849882 VWNOTICEEXQMBM-MRXNPFEDSA-N 396.443 3.704 0 40 GHAB CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1cccc2ccccc12 3429066 YEIFUMOVDSFIDL-UHFFFAOYSA-N 391.471 3.748 0 40 GHAB O=C1NC2(CCCCC2)N(C(=O)c2cc(=O)[nH]c3ccccc23)C2=C1CCCC2 13129429 LTARAKMGWLIHDU-UHFFFAOYSA-N 391.471 3.589 0 40 GHAB CCOC(=O)c1ccc(NC(=O)N2CCN(c3ccccc3OCC)CC2)cc1 17081278 QJPOPOAHKCPCDU-UHFFFAOYSA-N 397.475 3.616 0 40 GHAB CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 13323449 LFEXKAZBKSPLLE-VQTJNVASSA-N 375.532 3.669 0 40 GHAB COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)c1 5030265 AASFRLTVNOJVGZ-KRWDZBQOSA-N 394.349 3.854 0 40 GHAB C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC[C@H](c2ccccc2)C1 69879467 FQHHULXIJYTSBW-HKUYNNGSSA-N 377.488 3.630 0 40 GHAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)NC[C@@H]1CCCO1 5288183 BGUAAGFRVUOJFM-ZDUSSCGKSA-N 385.514 3.746 0 40 GHAB CCOC(CSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3)OCC 5271130 BSPRWYSZUQTQRH-UHFFFAOYSA-N 383.539 3.616 0 40 GHAB O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)N1CCCCC1 14018868 UFEJDWHSJFETQO-UHFFFAOYSA-N 385.514 3.552 0 40 GHAB Cc1cccc(-n2c(C)nnc2S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 5310817 WYBCKHRLOAIBAA-ZDUSSCGKSA-N 377.473 3.974 0 40 GHAB COc1ccc(NC(=O)[C@H](OC(=O)c2cnccn2)c2ccccc2)cc1Cl 6486106 VRAVNPQUNBQHSI-GOSISDBHSA-N 397.818 3.675 0 40 GHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCCCCC2)cc1 14186717 MCNWUJYXWVAGIY-UHFFFAOYSA-N 378.538 3.656 0 40 GHAB O=C(NCc1nnc2ccccn12)c1cc(-c2cccs2)nc2ccccc12 18124138 MQHLMLDEFHCYMO-UHFFFAOYSA-N 385.452 3.936 0 40 GHAB CCc1cccc(OCC(=O)Nc2ccccc2C(=O)NCC(F)(F)F)c1 6654493 RVVODSXRISJLEP-UHFFFAOYSA-N 380.366 3.559 0 40 GHAB CCc1ccc(S(=O)(=O)N2CCS[C@H]2c2cc(OC)ccc2OC)cc1 5658317 DBDDZQPIWWYSRR-IBGZPJMESA-N 393.530 3.703 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 8745956 OVIDBUGUPRAYNE-RBZFPXEDSA-N 386.883 3.835 0 40 GHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc(N)c2ccccc2n1 8746937 DGMDFLQYKUCKJH-UHFFFAOYSA-N 390.274 3.589 0 40 GHAB CCOC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)oc2=S)cc1 6956411 OEHVCYZDBTWDMX-UHFFFAOYSA-N 397.456 3.996 0 40 GHAB CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)s1 7248874 JOUKOVLUWUSAIB-UHFFFAOYSA-N 380.716 3.985 0 40 GHAB Cc1nc(-c2ccc(NC(=O)CN3C(=O)CCOc4ccccc43)cc2)cs1 7438215 AFZVQTGISSDZLE-UHFFFAOYSA-N 393.468 3.873 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 7735906 GDQBREUMWGPLBZ-UHFFFAOYSA-N 381.741 3.707 0 40 GHAB COC(=O)[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)C(C)C 9050619 RDZAVAMVTPYLCM-NRFANRHFSA-N 392.455 3.838 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(C)cc2)cc1 9237352 RDNUTVYOOBCFQJ-ZWKOTPCHSA-N 379.489 3.601 0 40 GHAB Cc1ccc(CN(C)C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)o1 9385930 GCSLUKXSGLBIIV-UHFFFAOYSA-N 387.439 3.868 0 40 GHAB C[C@H]1CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)c2ccccc2S1 71906565 IQLNRJNESBQKMF-INIZCTEOSA-N 387.549 3.832 0 40 GHAB O=C(Cc1ccccc1)NCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 9688680 SOYMKUCCJKLCCA-UHFFFAOYSA-N 385.876 3.761 0 40 GHAB CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(-n3cccn3)c(F)c2)cc1 95351925 QAGMYBYCZMDNEA-UHFFFAOYSA-N 394.450 3.677 0 40 GHAB O=C(N1CCN(C(=O)C2(c3ccccc3)CC2)CC1)C12CC3CC(CC(C3)C1)C2 95469951 MMLVTLDZKSSLNB-UHFFFAOYSA-N 392.543 3.605 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@H]3[C@@H]3CCCC3=O)C2)c1 95451311 JEDISMPFWOKQBQ-JBACZVJFSA-N 396.531 3.516 0 40 GHAB CN1C(=O)C[C@@H](C(=O)Nc2nnc(C3CCCCC3)s2)[C@@H]1c1ccccc1 95478430 RRDLDABHHUXNLD-WBVHZDCISA-N 384.505 3.744 0 40 GHAB CN1C(=O)CCc2cc(C(=O)Nc3c4c(nn3-c3ccccc3)CCC4)ccc21 95976081 RMEOQSFCRHYCON-UHFFFAOYSA-N 386.455 3.522 0 40 GHAB COc1cccc([C@@H](NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C(C)(C)C)c1 79013743 DCALRIBZVFQTMF-OXJNMPFZSA-N 384.476 3.540 0 40 GHAB Cc1cc(O)nc(SCC(=O)Nc2ccc(Br)c(Cl)c2)n1 408543685 QBTHCTBEOCXOFL-UHFFFAOYSA-N 388.674 3.637 0 40 GHAB O=C(NCc1cc(O)nc2ccccc12)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 515691334 UZNYAMIKVMLZGE-ROUUACIJSA-N 387.483 3.933 0 40 GHAB Cc1n[nH]c(C)c1CCC(=O)NCC1CCC([C@H](c2ccccn2)N(C)C)CC1 72391153 PTQXODXMZMPCMH-MTNXOHHFSA-N 397.567 3.580 0 40 GHAB O=C(NCc1csc(-c2ccccc2)n1)N1CC[C@H](n2cc(Cl)cn2)C1 516520220 IOWCEMPVRSRMEC-INIZCTEOSA-N 387.896 3.817 0 40 GHAB CCC(CC)C(=O)N[C@@H]1CC(C)(C)Cc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc21 72397060 QAJSTZKCKDPPAO-IIDMSEBBSA-N 388.556 3.656 0 40 GHAB COC(=O)[C@H](NC(=O)c1cc2occc2n1Cc1ccccc1Cl)C(C)C 36358148 TTYZUFUTFNXFCG-GOSISDBHSA-N 388.851 3.863 0 40 GHAB O=C(c1cnccn1)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72383796 QEVJYIMUGKPBFQ-QGZVFWFLSA-N 381.823 3.690 0 40 GHAB COc1cccc(C(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 35291173 OBWOXDTYNZPSQF-UHFFFAOYSA-N 386.498 3.847 0 40 GHAB Fc1ccc(-c2cccc(CN3CCn4c(nnc4C4CCNCC4)C3)c2)cc1 72372124 ALYNCGTVJRKBMK-UHFFFAOYSA-N 391.494 3.567 0 40 GHAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 225703050 QVOLTXNBKYMVGV-JOCHJYFZSA-N 392.540 3.712 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(F)cc3)n2)cc1OC 138555496 RQPHVOUMNFZIJX-ZDUSSCGKSA-N 399.422 3.703 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 222568111 YKRBYNAGNNACTM-INIZCTEOSA-N 388.895 3.662 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)NCc1nc(-c2cccc(Cl)c2)no1 223628522 AYJXOWZFMABFSG-UHFFFAOYSA-N 398.271 3.663 0 40 GHAB CCCOc1ccccc1CCCNC(=O)CCc1ccc2c(c1)OCCO2 222644230 RVNOFLQLNJFYQK-UHFFFAOYSA-N 383.488 3.928 0 40 GHAB COc1ccc(-c2nnc(NC(=O)/C=C/c3ccc4c(c3)OCO4)s2)cc1 97542422 UDBULCVOPPUGSG-YCRREMRBSA-N 381.413 3.594 0 40 GHAB Cc1cccnc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(Cl)c3)CO2)C1 257227507 FPQDXIXZPSUJPE-WIYYLYMNSA-N 386.879 3.886 0 40 GHAB CCOc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCSCC2)cc1 253407157 VQKYHOYCMWSLPS-KRWDZBQOSA-N 375.494 3.590 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)Cc2cccc(C)c2)c2ccccn2)CC1 257277058 NWGWAWFODDJARA-PTLVVNQVSA-N 393.531 3.733 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3CC2(C)C)cc1Cl 629353135 KOYIFXPURJBWPH-UHFFFAOYSA-N 378.881 3.828 0 40 GHAB Cc1ccc(=Nc2cccc(C(=O)Nc3ccc(-n4cccn4)c(F)c3)c2)[nH]n1 605502688 NZYVRELRVYFIBB-UHFFFAOYSA-N 388.406 3.528 0 40 GHAB COCc1c(C(=O)N2CCOC[C@H]2c2ccco2)sc2cccc(F)c12 604858612 KPRWBKMICKIGLL-AWEZNQCLSA-N 375.421 3.994 0 40 GHAB O=C(c1ccccc1)N1CCC2(CC1)CN(C(=O)C1CC1)c1ccc(F)cc12 585102982 AWOTWHONFWCHGK-UHFFFAOYSA-N 378.447 3.756 0 40 GHAB CN1CCNC[C@@H](Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)C1 585263242 ROJPMGWDQTVWAH-QGZVFWFLSA-N 379.533 3.642 0 40 GHAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Br)s2)cc1 14220751 WKWYUZWHDRGMPT-SECBINFHSA-N 376.297 3.559 0 40 GHAB Cc1ccccc1-c1nnc(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)n1C 5859647 HOPVOQRMCJBSQV-UHFFFAOYSA-N 397.529 3.998 0 40 GHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cn2cncn2)cc1 11658277 UPIXEESCXLRONM-UHFFFAOYSA-N 375.259 3.905 0 40 GHAB COc1ccc(C(=O)CCC(=O)N2CCC(O)(c3cccc(C)c3)CC2)cc1C 12325281 JYEOJZYBQXMRTD-UHFFFAOYSA-N 395.499 3.785 0 40 GHAB COc1ccc(CC(=O)OCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1OC 12565889 AYSRQSAAFAJBRI-WDYCEAGBSA-N 392.492 3.794 0 40 GHAB CN(c1ccc(OCC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 13584676 WYIRPPVOCUUMAK-UHFFFAOYSA-N 396.468 3.529 0 40 GHAB Cc1nn(CC(=O)Nc2cc(Cl)ccc2Cl)c(=S)n1-n1cccc1 16807020 QALPHHWWBRJLIK-UHFFFAOYSA-N 382.276 3.781 0 40 GHAB CN1CCN(C(=O)C2CCC2)C[C@@H](Cc2ccccc2-c2cccs2)C1=O 19589651 PVTJEUMOIAWLTC-GOSISDBHSA-N 382.529 3.675 0 40 GHAB CC(C)(C)c1csc(CCNC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)n1 19660917 ONCILHIHHGZUTE-HXUWFJFHSA-N 389.496 3.822 0 40 GHAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)CN(C)C)CC2)n1 19687085 LSKHFZFTDYSYOH-UHFFFAOYSA-N 385.939 3.902 0 40 GHAB CCc1ncc(CN2CCC(Cc3cc(N4CCCCC4)nc(C)n3)CC2)cn1 19758957 QXINXFYJZXYZQO-UHFFFAOYSA-N 394.567 3.582 0 40 GHAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccccc3)C(=O)O)o2)c1 7342149 BSYWADQJISEEIY-PXNMLYILSA-N 384.413 3.972 0 40 GHAB CC(C)NC(=O)Cn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc21 4859289 YLHZTHXFEHOHLY-UHFFFAOYSA-N 385.464 3.675 0 40 GHAB CC(C)c1cccc2c1N(C(=O)[C@@H]1CC(=O)N(Cc3ccccn3)C1)CCC2 662051416 GMSYMILVDZNJRX-GOSISDBHSA-N 377.488 3.533 0 40 GHAB C[C@H]1CCCN(C(=O)C2CCC3(CC2)CNC(=O)c2cc(Cl)ccc2O3)C1 19496445 LHKUWBODUPNCKQ-VEBLATHCSA-N 390.911 3.650 0 40 GHAB O=C(Nc1ccc(Br)cc1F)c1cc(C2CCOCC2)ncn1 1888854188 GEWASWWMPQHYHZ-UHFFFAOYSA-N 380.217 3.525 0 40 GHAB Cc1ccc(-c2nc(CCNC(=O)C(=O)Nc3cccc(C)c3)cs2)cc1 4570871 YPDAYGOXHWVVEL-UHFFFAOYSA-N 379.485 3.724 0 40 GHAB O=C(Nc1ccccc1)Nc1nc(C(=O)NCc2c(F)cccc2F)cs1 9317460 CDMPREJTAIOIFG-UHFFFAOYSA-N 388.399 3.995 0 40 GHAB CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3)N2C1=O 15783340 YFDFUACREUWHMG-GOSISDBHSA-N 392.484 3.673 0 40 GHAB CCOc1ccccc1C(=O)NCCOc1ccc(-c2ccc(C)cc2)nn1 17315831 CTJUODBSZGPKSU-UHFFFAOYSA-N 377.444 3.660 0 40 GHAB CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 33821683 QHRYYIWWVCYYGL-ZRNYENFQSA-N 378.497 3.733 0 40 GHAB COc1ccc(-c2nnc(SCCCOc3ccc(C(=O)O)cc3)n2C)cc1 8731734 OGDXBBNPMUFLRF-UHFFFAOYSA-N 399.472 3.750 0 40 GHAB CCCCn1c(O)c(C(=O)Nc2ccc(C(=O)OC)cc2)c(=O)c2ccccc21 5898105 LSKWJMHYHTWAQI-UHFFFAOYSA-N 394.427 3.546 0 40 GHAB Cc1c(C(=O)Nc2ccnn2[C@H](C)C2CC2)nnn1-c1ccc(Cl)cc1F 152439703 LWOPOEONADFJJZ-SNVBAGLBSA-N 388.834 3.788 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1nncn1-c1ccccc1 40088244 QUVZOVHQWZSNFX-LBPRGKRZSA-N 391.258 3.658 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)C1 40090849 JVFXEINGCGHNME-GASCZTMLSA-N 380.444 3.786 0 40 GHAB O=C(Nc1cc(Cl)cc2cccnc12)C1CCN(C(=O)c2ccncc2)CC1 30212894 YYFXDUYRRBVBRH-UHFFFAOYSA-N 394.862 3.774 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1cccc(N2CCOC2=O)c1 40146831 MONXLUZGAPLNTF-UHFFFAOYSA-N 378.350 3.521 0 40 GHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1COc2ccccc2O1 30980509 BKTMTIYOSFGCHK-ZDUSSCGKSA-N 381.259 3.975 0 40 GHAB CCN1CCN(c2nc(SC)nc3sc4c(c23)C[C@](C)(CC)OC4)CC1 2419842 HMYKNJMROJHIJR-IBGZPJMESA-N 392.594 3.797 0 40 GHAB CCOc1ncccc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 11480518 KVBVTIXDHDKAKR-LLVKDONJSA-N 382.338 3.683 0 40 GHAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)[C@@H]1CC(=O)N(C2CCCC2)C1 8131701 ARYLRWRZPOTTKS-QRWLVFNGSA-N 386.492 3.884 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NC)cc2c1 875285 NMLWGOOSJCFCPJ-UHFFFAOYSA-N 383.492 3.736 0 40 GHAB Cc1ccc(-c2noc([C@H](C)Nc3cccc(NS(C)(=O)=O)c3)n2)cc1F 45811939 VNXUDNHRZXOXPZ-LBPRGKRZSA-N 390.440 3.729 0 40 GHAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(C)c2)c1 1343075 QJGFSTQCJQPHDD-IBGZPJMESA-N 380.448 3.588 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)o2)c1 3242623 PYKKNFBIUYHEMN-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB CC(C)c1nnc2ccc(N3CCC(C(=O)Nc4ccccc4Cl)CC3)nn12 20723073 UJQGFCVIRNNUJN-UHFFFAOYSA-N 398.898 3.756 0 40 GHAB O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccc[nH]1 4389719 FTJZDPJCISPFPQ-UHFFFAOYSA-N 377.425 3.969 0 40 GHAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1 6238910 VCLYKXDCIZDXMV-UHFFFAOYSA-N 385.489 3.807 0 40 GHAB CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 6427223 ZMQYMBSJUXONNW-KRWDZBQOSA-N 396.487 3.831 0 40 GHAB Cc1ccc(OCC(=O)Nc2ncc(I)cc2C)c(C)c1 6572833 GIOQVGBXPZUZRM-UHFFFAOYSA-N 396.228 3.629 0 40 GHAB CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(OC)cc4)cc3)nn12 6605253 RMCLPQZTFPJDEF-UHFFFAOYSA-N 379.445 3.676 0 40 GHAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(OC)c(Br)c1 109760114 VXAUFFFBKCOWRH-GFCCVEGCSA-N 378.332 3.952 0 40 GHAB CCCCOc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1 57711558 ADFTWLDKTVMECJ-UHFFFAOYSA-N 385.483 3.765 0 40 GHAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 10370401 OPQSNEDHHPGOPQ-UHFFFAOYSA-N 379.504 3.921 0 40 GHAB Cc1ccc(OCC(=O)N[C@@H]2CCOc3ccccc32)c(Br)c1 8029257 BLMXIZHGCWYWED-OAHLLOKOSA-N 376.250 3.776 0 40 GHAB COCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(C)c(Cl)c2)n1 8477011 KFNGPQBPMUUJRL-UHFFFAOYSA-N 384.867 3.581 0 40 GHAB COC(=O)CCCNC(=O)c1ccc(-c2cccc(Br)c2)nc1C 21902863 DODRCDOQOKJGIX-UHFFFAOYSA-N 391.265 3.503 0 40 GHAB Cc1c(C(=O)N(C)C)sc2ncn3nc([C@@H]4C[C@@H]4c4ccccc4)nc3c12 2791557 PHJOPWRSMOLXJM-ZIAGYGMSSA-N 377.473 3.620 0 40 GHAB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)NCc1ccc(F)cc1 16763460 DRSCTKWVLLEPGD-NSHDSACASA-N 386.477 3.880 0 40 GHAB CC[C@@H](NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(C)cc1 12284533 ROGHNNQHLSGVAF-RBBKRZOGSA-N 393.531 3.913 0 40 GHAB Cc1cccc(NC(NC(=O)Cc2ccccc2)(C(F)(F)F)C(F)(F)F)n1 721324 HXHMTONCIXQYFP-UHFFFAOYSA-N 391.315 3.982 0 40 GHAB CCn1c(=O)n(CCC(=O)Nc2nc3ccc(C)cc3s2)c2ccccc21 24690117 DZOWFMDWMWAXIW-UHFFFAOYSA-N 380.473 3.770 0 40 GHAB CCc1cccc(CC)c1NC(=O)[C@H](C)N(C)CC(=O)Nc1cccc(F)c1 42331942 QEPSKELPFISYQP-HNNXBMFYSA-N 385.483 3.848 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)c(C)s2)c1 24022216 PORGGKVENSYYOW-UHFFFAOYSA-N 396.534 3.656 0 40 GHAB O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 20503259 GXYIMLLIDNLZTJ-PKOBYXMFSA-N 375.447 3.669 0 40 GHAB biogenic,in-vitro NC(=O)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 1237618 IGINCUBNSRXDRH-UHFFFAOYSA-N 392.509 3.973 0 40 GHAB CN(C)c1nnnn1-c1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 1401580 WONUSPZVDHVGJD-UHFFFAOYSA-N 384.749 3.588 0 40 GHAB O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc(OC(F)F)cc1 3271391 NZDGEFPLVRWXBI-UHFFFAOYSA-N 395.333 3.572 0 40 GHAB COc1ccc(OC)c(CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 43976117 LKSMOHRNEKMEFH-UHFFFAOYSA-N 395.415 3.871 0 40 GHAB COc1ccc(C)cc1N1C2=[N+](CCCS2)C[C@]1(O)c1ccc(Cl)cc1 3227152 XBTBHFZZRRNYIR-FQEVSTJZSA-N 389.928 3.828 0 40 GHAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(C[C@H](C)O)CO3 57143270 HCVAOHUIVMHKPO-AWEZNQCLSA-N 379.456 3.533 0 40 GHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)N[C@H](C)c1ccco1 22133542 FDQRFFHRIHAMMM-GFCCVEGCSA-N 392.477 3.668 0 40 GHAB Cc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12607307 PIGBIAORHJDESO-UHFFFAOYSA-N 375.354 3.645 0 40 GHAB C[C@H](NC(=O)Nc1cccc(CN2CCOC2=O)c1)c1ccc(F)c(F)c1 58159284 RJPWVQVPKHNQTG-LBPRGKRZSA-N 375.375 3.800 0 40 GHAB CCOc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(OC)c(OC)c1 2137192 MFFIDRFZMPLUOC-ZRDIBKRKSA-N 386.473 3.629 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)cc1C(F)(F)F 58356077 UKQTVMBVNFMITN-UHFFFAOYSA-N 379.381 3.883 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)/C=C/c1ccc(Br)o1)CC2 2347485 TUDMLIRMLWNXSY-GQCTYLIASA-N 392.249 3.657 0 40 GHAB FC(F)(F)c1nnc2ccc(NCCCc3nc4ccccc4s3)nn12 12866534 HWNYZBKJKTTXKI-UHFFFAOYSA-N 378.383 3.798 0 40 GHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@@H](C)c1ccco1 12810157 RVEUKXIZMKEEPX-NSHDSACASA-N 379.338 3.984 0 40 GHAB COc1ccc(Br)c(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 3412017 LIXANBKZPJVVNR-MQIPJXDCSA-N 398.297 3.555 0 40 GHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2c(C)cccc2C)c(F)c1F 408627638 MWFAEISYVCXLPA-UHFFFAOYSA-N 386.370 3.995 0 40 GHAB CCNc1nc(SCc2cc(=O)n3cccc(C)c3n2)nc2ccccc12 12900769 XLUBZZWATQEPSV-UHFFFAOYSA-N 377.473 3.670 0 40 GHAB CCCOc1ccc(OCCSCC(=O)Nc2ccc3c(c2)OCO3)cc1 13015666 MNVCRCZWUKCROR-UHFFFAOYSA-N 389.473 3.955 0 40 GHAB COc1ccc(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(OC)c1 8341223 WFLCOBBUCMJEPG-UHFFFAOYSA-N 382.460 3.557 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3)o2)c1C 5021042 PAJWDMCELPCHGJ-UHFFFAOYSA-N 385.445 3.833 0 40 GHAB COc1ccc(Cc2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)cc1OC 13730932 PFBGSZDOAPUCCJ-UHFFFAOYSA-N 391.456 3.942 0 40 GHAB O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)Nc1cc(Cl)cc(Cl)c1 13721218 ZBHMRPGMTYZURW-AWEZNQCLSA-N 375.215 3.519 0 40 GHAB Cc1ccc(C)c(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 5211159 NFBNOCPBGKMMIF-UHFFFAOYSA-N 377.444 3.901 0 40 GHAB O=C(c1cccs1)N1CCC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306141990 WLWMUUTWROGPQV-KRWDZBQOSA-N 389.484 3.873 0 40 GHAB O=S(=O)(c1ccc(N2CCC[C@@H]2c2cccs2)nc1)N1CCCCC1 25607047 QDCLKZRXFQCVCU-MRXNPFEDSA-N 377.535 3.659 0 40 GHAB CC(C)Oc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](C(C)C)C2=O)cc1 6661965 XYPGSCOFUVSQEO-NRFANRHFSA-N 395.455 3.743 0 40 GHAB CS(=O)(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1Cl 14688203 VVMLHYZWCOMRHZ-UHFFFAOYSA-N 381.925 3.690 0 40 GHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(O)cc2)n2ncnc2N1 4724047 RIZZZDKXFYVJSD-QGZVFWFLSA-N 381.823 3.565 0 40 GHAB COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C)cc1 6752834 AUICVTBRLJLACL-NRFANRHFSA-N 377.444 3.672 0 40 GHAB Cc1ccc(N2C(=O)N(Cc3nc(-c4ccccc4C)no3)C(=O)[C@@H]2C)cc1 6851765 BAEGKPMZXABZHT-HNNXBMFYSA-N 376.416 3.711 0 40 GHAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cc2ccccc2nc1Cl 6850351 GUINROXQCZFTSI-NRFANRHFSA-N 393.830 3.618 0 40 GHAB C[C@@H]1O[C@H](C)CN2c3cc(Cl)ccc3CC3(C(=O)CC(C)(C)CC3=O)[C@H]12 4915322 MENIYLNVAVZYIW-NQCMUKECSA-N 375.896 3.823 0 40 GHAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2c(Cl)cccc2Cl)cc1 4996101 TWHHDUZMBVFRQV-UHFFFAOYSA-N 388.272 3.601 0 40 GHAB O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@H]1c1nnc2ccccn12 15360187 KRWPUHZCEOYWOG-ZDUSSCGKSA-N 397.287 3.562 0 40 GHAB Cc1ccccc1-n1c(C)nnc1S[C@H](C)C(=O)NCCc1ccccc1 7188991 NTWNNOUTIFJECG-MRXNPFEDSA-N 380.517 3.724 0 40 GHAB C[C@H]1Oc2ccc(-c3csc(NC(=O)c4cccs4)n3)cc2N(C)C1=O 19796690 QWLSRSWJJXMTLO-SNVBAGLBSA-N 385.470 3.868 0 40 GHAB CCc1ccc(O[C@H](CC)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 113969385 UESPFGOVMMLYJO-HXUWFJFHSA-N 393.487 3.843 0 40 GHAB C[C@@H]1C(=O)N(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)C(=O)[C@H]1C 89919873 JUTQTKXKKGZHFC-STQMWFEESA-N 386.835 3.712 0 40 GHAB CCOCCCNC(=O)[C@@H](C)N1CCC(c2nc(-c3ccccc3)c(C)o2)CC1 72304922 QXQZRFKTHAXOFZ-QGZVFWFLSA-N 399.535 3.761 0 40 GHAB COc1cccc2[nH]c(C(=O)N[C@@H](C)C(=O)Nc3nc4ccccc4s3)cc12 20725379 NHZLCCHIAPDOAN-NSHDSACASA-N 394.456 3.543 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)[C@@H]1CCCC[C@H]1C(F)(F)F 84374387 AWPYTXUNNWUERP-HZPDHXFCSA-N 379.382 3.599 0 40 GHAB CCOC(=O)c1cnn(-c2cccc(NC(=O)c3c(F)cccc3F)c2)c1C 25991728 VZCQUUUKALMERW-UHFFFAOYSA-N 385.370 3.888 0 40 GHAB C[C@@H]1CN(C(=O)c2c(C(F)F)nc3cnccn23)CC[C@@H](c2ccccc2)O1 1553976012 PKHSAHSDGUZSGL-HIFRSBDPSA-N 386.402 3.659 0 40 GHAB Cc1cc(C)cc(OCC(=O)N2N=C3CCCCC[C@H]3[C@@]2(O)C(F)(F)F)c1 408949739 FZBBYHNEKBPJCP-CRAIPNDOSA-N 384.398 3.712 0 40 GHAB Cc1cc(OCC(=O)N2N=C(C(C)C)C[C@@]2(O)C(F)(F)F)ccc1Cl 409055140 KBZOWVGZKKSKSO-OAHLLOKOSA-N 378.778 3.522 0 40 GHAB Cc1nccn1-c1cccc(C2CCN(CCOc3ccc(F)cc3)CC2)n1 72376602 XXLVEMDXIJFKTQ-UHFFFAOYSA-N 380.467 3.973 0 40 GHAB O=C(Nc1cccc(Cl)c1)N1C[C@H]2c3nc(NCC4CC4)ncc3C[C@H]2C1 306141251 VPXIHCBZYOLLEO-WMLDXEAASA-N 383.883 3.756 0 40 GHAB O=C(Cn1cnc2ccccc21)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 38486323 MXKCHBYHBRVXSP-UHFFFAOYSA-N 398.470 3.732 0 40 GHAB CC(=O)c1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1 35289080 FXFPEVBQVHNSCB-UHFFFAOYSA-N 379.460 3.624 0 40 GHAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1ccc(Cl)cc1)N2c1ccccc1 32639665 IBZBRRDIXBFMAK-DLBZAZTESA-N 392.933 3.615 0 40 GHAB COc1ccc(Oc2cncc([C@H]3CCCN3C(=O)c3oc(C)nc3C)n2)cc1 72384126 KNGXOMPCGUHXPF-GOSISDBHSA-N 394.431 3.860 0 40 GHAB Nc1c(-c2nc(-c3ccc4c(c3)OCO4)cs2)nnn1-c1cc(F)ccc1F 35503855 YAENBFOAIVQDOD-UHFFFAOYSA-N 399.382 3.647 0 40 GHAB CCCCC[C@](C)(O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 220441994 QQCOAAFKJZXJFP-CJGBYTFRSA-N 382.541 3.521 0 40 GHAB CCS(=O)(=O)N(C)c1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 225966301 AWJLSYCCUTWXGF-ZDUSSCGKSA-N 380.897 3.617 0 40 GHAB COc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)c(OC)c1 225920157 JGZBXSVSDGAJCL-UHFFFAOYSA-N 375.396 3.533 0 40 GHAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc2c(c1)OCCO2 225740265 XRIIUUAZXMADIX-HNNXBMFYSA-N 383.517 3.586 0 40 GHAB COc1ccc(C(=O)N2CC[C@@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1F 225733510 KVZOLHMPHWKNSX-CYBMUJFWSA-N 384.329 3.542 0 40 GHAB CCCCCNC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccccc2)cc1 224448582 LWIHKUQBSWBZRF-UHFFFAOYSA-N 388.533 3.817 0 40 GHAB COCCCNC(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037749 QBUASILAPVAYHJ-UHFFFAOYSA-N 390.487 3.788 0 40 GHAB c1ccc(CN2CCC(N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)CC2)cc1 96245631 HAGHCXQFZKADLR-PSWAGMNNSA-N 375.560 3.715 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3ccc(C(F)(F)F)nc3)n[nH]2)cc1OC 95473846 URKXUSWTCBFSLU-UHFFFAOYSA-N 392.337 3.760 0 40 GHAB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccsc2)CCO1 96117449 HFAKBNTYHVAVGT-BXUZGUMPSA-N 379.507 3.555 0 40 GHAB Cc1cccc(Nc2cccc([C@@H]3CN(c4cc(C)nc(C)n4)CCO3)n2)n1 257284191 PBPRNFMOXYECEL-SFHVURJKSA-N 376.464 3.513 0 40 GHAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2-c2ccccc2)C1 257304683 SMSLHTHELJJOQR-RUZDIDTESA-N 399.494 3.669 0 40 GHAB CCc1ccc(-n2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)nn2)cc1 90610287 LBUVYWYYVWIZBF-UHFFFAOYSA-N 386.839 3.753 0 40 GHAB O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCC[C@H](C[C@H]2CCOC2)C1 678646949 KQGAJPHUYJBMNJ-QZTJIDSGSA-N 392.499 3.962 0 40 GHAB O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 57589915 WVWPTWOPIGFJKC-UHFFFAOYSA-N 389.333 3.931 0 40 GHAB O=C(N[C@@H]1CCCc2occc21)c1occc1CN1C(=O)Cc2ccccc21 84579375 PJOYBTJEALXZFJ-QGZVFWFLSA-N 376.412 3.769 0 40 GHAB COc1ccc(CCC(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1 655265450 UYHIIXCTCYVXNC-UHFFFAOYSA-N 375.472 3.977 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCCCCCC2)ccc1OC 13581489 GJIJOAIDSCWUJA-UHFFFAOYSA-N 396.553 3.568 0 40 GHAB CCn1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(=O)c2cc3c(cc21)OCO3 13691315 IYQWNOUHOQAQKE-QKFKETGDSA-N 396.487 3.791 0 40 GHAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)[C@H]2CCCO2)n(C(C)C)c1C 13691229 ILUAHTZCXZYIAW-QGZVFWFLSA-N 390.505 3.636 0 40 GHAB O=C(NCc1cccc(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 14094577 UMAGKAAUTDFWGD-UHFFFAOYSA-N 398.816 3.786 0 40 GHAB CCOc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1OCC 16968889 ABQFAMZVRHWWQG-UHFFFAOYSA-N 383.488 3.962 0 40 GHAB Cc1cc(C)cc(C2(CNC(=O)c3ccc(C(C)C)[nH]c3=O)CCOCC2)c1 19569587 COWPYPBHUWPCJR-UHFFFAOYSA-N 382.504 3.593 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccncc3)cc2N1 19574816 VQAJUZOAAYSSSD-KCPJHIHWSA-N 379.386 3.563 0 40 GHAB COc1cccc(Cc2ccc([C@H]3CCCN(Cc4ccnn4C)C3)nc2)c1 19690297 BZLDGRWJYQQDHW-FQEVSTJZSA-N 376.504 3.794 0 40 GHAB OC1(c2cccnc2)CCN(Cc2ccccc2OCc2ccccn2)CC1 12363629 HRIYDADPMZATOX-UHFFFAOYSA-N 375.472 3.539 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1ncc(Br)s1 28227288 AHDNNRYEPBVVCO-UHFFFAOYSA-N 392.072 3.686 0 40 GHAB Cc1cccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](N(C)Cc4ccco4)[C@H]3C2)c1 2056131330 LMMGCAKKQWYAKJ-JRGCBEDISA-N 388.533 3.509 0 40 GHAB O=C(NCc1nnc(SCc2ccccc2F)o1)c1c(F)cccc1F 5107609 UITPZIMJFNSEMI-UHFFFAOYSA-N 379.363 3.709 0 40 GHAB Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1ccc(Br)cc1 9616954 PDXDGBPBVWZRFI-UHFFFAOYSA-N 392.640 3.671 0 40 GHAB CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1 12442966 REXZKVCDSQJFMQ-UHFFFAOYSA-N 387.486 3.884 0 40 GHAB CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C)c(C)c2)CC1 22460130 CZMIZBYRPHMXEY-RXVVDRJESA-N 385.577 3.862 0 40 GHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Nc3cccs3)cc21 22504042 FRBIKOZXKWMZGE-UHFFFAOYSA-N 379.507 3.885 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cc(-c2cc3ccccc3o2)on1 38754577 ZHAXFHKTKJBSFI-ZSEKCTLFSA-N 390.395 3.933 0 40 GHAB Cc1nc(SCC(=O)NCc2ccccc2Cl)cc(-c2ccccn2)n1 49007197 IDRSZCCONMNDPK-UHFFFAOYSA-N 384.892 3.909 0 40 GHAB Cc1nc(N2CCn3c(nnc3C(F)(F)F)C2)c2c3c(sc2n1)CCCC3 363246546 YLSWROOPARKEKO-UHFFFAOYSA-N 394.426 3.509 0 40 GHAB COc1cccc(Nc2nc(Nc3cccc(C)c3)nc(N3CCOCC3)n2)c1 9708946 KIGWPACLJJNOIL-UHFFFAOYSA-N 392.463 3.512 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)CCO2 26543620 BWYOGVXWPGAQIG-UHFFFAOYSA-N 398.278 3.584 0 40 GHAB O=C(Nc1ccccc1)c1cccc(CNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 40108890 CXIZSQBJAAUUNP-UFRUDQCGSA-N 390.483 3.951 0 40 GHAB COc1ccc(Oc2ccc(CNC(=O)[C@@H]3COc4ccccc4C3)cn2)cc1 40142402 OKODZJYMBKZRKR-SFHVURJKSA-N 390.439 3.750 0 40 GHAB COc1ccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4F)cnc3c2)cc1 32095624 QIXZWTGFWZXZRG-UHFFFAOYSA-N 389.386 3.786 0 40 GHAB O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1C(=O)c1ccccc1 1102070 NRVVTWYCFPNSTQ-UGKGYDQZSA-N 376.500 3.912 0 40 GHAB CSCC[C@@H](NC(=O)OCc1ccccc1)[P@](=O)(O)c1ccccc1 1643405 IXZKCDHFNWATHQ-KRWDZBQOSA-N 379.418 3.588 0 40 GHAB CCCC(=O)NC(NCCc1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F 20829021 HIHXXQRZFYKTJP-UHFFFAOYSA-N 386.336 3.565 0 40 GHAB COCc1ccccc1CNC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 29734946 GRFQLSAXKFJZFF-IBGZPJMESA-N 398.894 3.809 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc2ccccc2c1 6220001 HXDQGIALGXPWDY-UHFFFAOYSA-N 395.411 3.661 0 40 GHAB CCCN1C(=O)S/C(=C/c2cc(OCC)c(O)cc2Br)C1=O 6655643 HAWRLPIIWUZXBE-NTUHNPAUSA-N 386.267 4.000 0 40 GHAB Cc1ccc(C(=O)Nn2c(=S)[nH]c3sc4c(c3c2=O)CC[C@H](C)C4)s1 17080014 AUKAFKRMMXPSFT-QMMMGPOBSA-N 391.543 3.999 0 40 GHAB C[C@H](NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc2c(c1)OCO2 32795349 JOKDGDDVBOLEAB-KGLIPLIRSA-N 395.459 3.885 0 40 GHAB COc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)c1 8470095 ZEQAWXJHNHGVAB-UHFFFAOYSA-N 390.395 3.898 0 40 GHAB O=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc21 32894842 JEYFQHFBZFGHLT-UHFFFAOYSA-N 388.423 3.725 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1C 2627021 VAEHZFUCSGDTOY-UHFFFAOYSA-N 399.428 3.588 0 40 GHAB O=C(CCNC(=O)c1ccco1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 32957551 BBQBWGUMBQTPJT-OAQYLSRUSA-N 377.396 3.567 0 40 GHAB CC1(C)[C@@H]2CC=C(COC[C@H](O)CN3CCO[C@H](c4ccc(F)cc4)C3)[C@@H]1C2 102793746 HCTQBABQZRDQQK-YJMBLLCNSA-N 389.511 3.569 0 40 GHAB Cc1sc2ncnc(SCC(=O)N3CCO[C@H]4CCCC[C@@H]43)c2c1C 46492024 CXPWOFUBOSSNMY-KBPBESRZSA-N 377.535 3.570 0 40 GHAB COc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(CNC(C)=O)cc2)cc1 37123779 PMLLLNNXWZJDCA-UHFFFAOYSA-N 394.393 3.536 0 40 GHAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccc(OC(C)C)cc3)CC2=O)c1C 105635733 FSNBWRZYOAZBLH-IBGZPJMESA-N 380.488 3.760 0 40 GHAB O=C(CNc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)NCc1cccs1 58168999 HXMXIXDQLNKPLV-UHFFFAOYSA-N 397.422 3.844 0 40 GHAB COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1O 106781669 UYBAOBRDDIFUGM-PDGQHHTCSA-N 385.441 3.825 0 40 GHAB CC(C)(C)c1nnc2sc(-c3ccccc3I)nn12 17172973 YGMDHXZZLQKCQQ-UHFFFAOYSA-N 384.246 3.755 0 40 GHAB Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)n1Cc1ccco1 22869703 QAKZLSAFUQSRFY-UHFFFAOYSA-N 381.451 3.848 0 40 GHAB O=C(COc1ccc(Br)cc1F)Nc1cccc(-c2nnco2)c1 23146883 ZMXZZLUESNMOTE-UHFFFAOYSA-N 392.184 3.656 0 40 GHAB CC(C)CN1CCO[C@H](CSc2nnc(Nc3ccccc3F)s2)C1 23466449 NBFWQKBYFSLDKP-ZDUSSCGKSA-N 382.530 3.870 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2N2CCCCC2)c1 23655316 NHIRFVGCZIDOMN-UHFFFAOYSA-N 392.908 3.986 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)cc1Br 57008154 DRSPLAXBQBBVTL-UHFFFAOYSA-N 392.221 3.561 0 40 GHAB C/C=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c(OC)c1 23878344 UBZROBVZBPFUFY-ONEGZZNKSA-N 398.850 3.980 0 40 GHAB O=C(O)c1ccccc1Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1 1105625 RBRQGIDDMATVSN-UHFFFAOYSA-N 376.420 3.657 0 40 GHAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccccc1O 1320562 KEYHPPMCKMTUIF-HSZRJFAPSA-N 391.398 3.539 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@H](C)N(C)Cc1ccccc1N1CCOCC1 12554648 NUQZFESNILBKEJ-IBGZPJMESA-N 381.520 3.599 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(C)C)cc2)cc1 24988964 NONNJLPLTRFVQO-HXUWFJFHSA-N 386.517 3.910 0 40 GHAB CSc1ccccc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 113968434 ZPPKNEQTJZNJIC-UHFFFAOYSA-N 392.546 3.902 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)NC(C)(C)C 22259151 RVIIBXRSWZDSBV-UHFFFAOYSA-N 396.896 3.678 0 40 GHAB O=C(c1ccccc1I)N1CCC[C@H]1c1ccncc1 27269331 QSZIETTXOKOCGE-HNNXBMFYSA-N 378.213 3.664 0 40 GHAB NC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1 10384002 ZPZJEWAGHHNPGX-IAGOWNOFSA-N 394.500 3.760 0 40 GHAB COc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccc2)cc1 3399949 IKJUIQKHEQNSST-UHFFFAOYSA-N 394.500 3.657 0 40 GHAB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC(C)C)cc3N2)cc1 2303371 QKGUGNKDLUPNBZ-HIFRSBDPSA-N 382.386 3.690 0 40 GHAB CC1(C)Cc2nc3oc4c(=O)n(Cc5ccc(F)cc5)cnc4c3cc2CO1 2358584 XILSFIZIYAMOKU-UHFFFAOYSA-N 379.391 3.576 0 40 GHAB O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(S(=O)(=O)NC2CC2)o1 48234832 SAWDCRUKZVHJRV-UHFFFAOYSA-N 382.441 3.640 0 40 GHAB CC(C)c1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 5093289 FUZGDHXSAGKEHE-GOSISDBHSA-N 389.492 3.779 0 40 GHAB CCCCNc1nc2cc(OC)c(OC)cc2c2nc(-c3cccnc3)nn12 5055240 FSMQQPQYKDWGOZ-UHFFFAOYSA-N 378.436 3.569 0 40 GHAB COc1cc(CNC2CCCCC2)ccc1Oc1nnnn1-c1ccccc1 13717737 JRONTOJXTJGNLN-UHFFFAOYSA-N 379.464 3.886 0 40 GHAB O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)oc1NC1CC1 13720714 BPAFFDCDTUNNON-UHFFFAOYSA-N 398.440 3.520 0 40 GHAB Cc1ccc(C(=O)N/C(=C\c2ccccc2F)C(=O)NCc2ccco2)cc1 6190209 FKPDZFSYRMMSOK-MOSHPQCFSA-N 378.403 3.814 0 40 GHAB CCn1c(SCC(=O)c2ccccc2)nnc1[C@@H](C)NC(=O)c1ccccc1 6226095 ZDYFHVMSAHUYAB-OAHLLOKOSA-N 394.500 3.764 0 40 GHAB O=C(CNC(=O)c1cc(C2CC2)nc2ccccc12)Nc1ccc(F)c(F)c1 8777543 IVTWMXPEFSLWRK-UHFFFAOYSA-N 381.382 3.759 0 40 GHAB C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)cc1 5274453 VCDROTZKUUDCHO-APWZRJJASA-N 398.503 3.906 0 40 GHAB CN(C)CCn1cnc2c(c1=N)[C@@H](c1ccco1)c1ccc3ccccc3c1O2 5346453 ZODKOYHXOVKKBR-LJQANCHMSA-N 386.455 3.956 0 40 GHAB CC(C)(C)c1cc(NCCOCCO)n2ncc(-c3ccccc3Cl)c2n1 5351208 NOXKJDHNVGOBJV-UHFFFAOYSA-N 388.899 3.768 0 40 GHAB CSc1nc2ccc(NC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)cc2s1 6585748 GHWLUIHRUGCPNS-JTQLQIEISA-N 397.481 3.641 0 40 GHAB Cc1cccc(C(=O)NCC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)c1 9313799 VSWOEDFWTGYQIY-IBGZPJMESA-N 378.476 3.505 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(OC)c(Cl)c3)CC2=O)cc1 6649524 XXHGWPBIWOHISK-CYBMUJFWSA-N 388.851 3.739 0 40 GHAB CC(=O)N1CCN(c2ccc(NCc3cccc(Br)c3)cc2)CC1 4705553 KOSFADCAKQJNRY-UHFFFAOYSA-N 388.309 3.730 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1cccc(F)c1 4736301 YVBVWFLLKXCSAA-LLVKDONJSA-N 391.497 3.988 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1)c1ccc(C)cc1 20460287 FFHOVQAKRSSARW-IBGZPJMESA-N 386.517 3.860 0 40 GHAB CC(C)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 6725315 PPGVXBNSNPOGTG-IBGZPJMESA-N 394.581 3.690 0 40 GHAB Cc1sc(NC(=O)c2cccc3c2OCCO3)c(C(N)=O)c1-c1ccccc1 67035662 JODQUEVXEVESSJ-UHFFFAOYSA-N 394.452 3.846 0 40 GHAB Cc1c(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)oc2ccccc12 6902515 IAHZJCVTORKONF-UHFFFAOYSA-N 392.864 3.897 0 40 GHAB COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CCC3)c1 19819153 FTWLONYEKINGLT-UHFFFAOYSA-N 387.439 3.936 0 40 GHAB C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccccc1F)C(=O)N1CCSc2ccccc21 83927574 MBGYKYCLPFPOJM-NUEKZKHPSA-N 385.460 4.000 0 40 GHAB COc1ccc(Nc2nc(C(=O)OCC(=O)c3cccc(OC)c3)cs2)cc1 9805725 HTQOVDVLTIHEKN-UHFFFAOYSA-N 398.440 3.944 0 40 GHAB CC(C)[C@H](NC(=O)c1cc2c(nc3sccn32)s1)c1nnc2ccccn12 72230638 RQVUTAJQHVVLAX-AWEZNQCLSA-N 396.501 3.780 0 40 GHAB Cc1ccc(Cn2nc(C)c(C(=O)NC[C@@H](CCO)CC(C)C)c2Cl)cc1 72311630 GGLXQEMGIVCVNC-SFHVURJKSA-N 391.943 3.976 0 40 GHAB COC(=O)COc1c(C)cc(CNc2ccc(C(=O)NC(C)C)cc2)cc1C 97236800 IBBSUECMZXQTDO-UHFFFAOYSA-N 384.476 3.606 0 40 GHAB O=C(CN1CCCSc2ccccc21)Nc1ccc(Br)cn1 95469849 HUNBYSAOSFHCOH-UHFFFAOYSA-N 378.295 3.785 0 40 GHAB Cn1cc(NC(=O)c2[nH]c3ccccc3c2Br)c(C(F)(F)F)n1 95979585 ONRWGBLDPWXOHI-UHFFFAOYSA-N 387.159 3.935 0 40 GHAB Cc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)c2c(C)nn(C)c2n1 28229634 GQORUEOZUVXWDV-UHFFFAOYSA-N 388.475 3.699 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 33497531 XIRSYQSJOACPDS-INIZCTEOSA-N 382.485 3.762 0 40 GHAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1c(OC)ccc2ccccc12 408606627 JIHFLZGGBUJGDC-IBGZPJMESA-N 383.517 3.510 0 40 GHAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4ccc(F)cc4)CC3=O)c2c1 35558658 BJWPBDCRIMMIRL-MRXNPFEDSA-N 379.435 3.645 0 40 GHAB C[C@H]1CN(c2ccc(CNC(=O)c3csc4c3CCCC4)cn2)C[C@H](C)O1 32930461 FARUMUQLKPIARX-GJZGRUSLSA-N 385.533 3.566 0 40 GHAB CCc1ccc(NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)cc1OC 562921360 WXDBJDNKQHNDFS-NHYWBVRUSA-N 394.518 3.748 0 40 GHAB Cc1ccc(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c(C)c1 222837331 PXMNGFHOLARQFV-UHFFFAOYSA-N 396.512 3.539 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 223094129 VGKNRRUUVXBIQD-FQEVSTJZSA-N 382.504 3.544 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl 222534907 GKDZVSORHNBLPL-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc2ccccc12 225877520 GLBIGWIFQPWSRQ-OAHLLOKOSA-N 398.484 3.642 0 40 GHAB CCOc1ccccc1NC(=S)NCc1ccc(CN2CCCC2=O)cc1 225648351 AVEABGRPONZDMH-UHFFFAOYSA-N 383.517 3.694 0 40 GHAB O=C(NCCC1CCCCCC1)c1cccc(N2CCCCS2(=O)=O)c1 224390074 FYNZFEBZBUZTKP-UHFFFAOYSA-N 378.538 3.707 0 40 GHAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)c(NC3CCCCC3)oc2n(C)c1=O 95116703 FIXNYNLTZSTSIT-UHFFFAOYSA-N 387.867 3.895 0 40 GHAB COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4cnccn4)C3)c2)c1 257250281 JLXFJXMUXRQHEL-INIZCTEOSA-N 389.459 3.562 0 40 GHAB CC(C)CNC(=O)c1cc(NC(=O)c2coc(CC3CC3)n2)ccc1Cl 585079905 RTLOIKSUGVRTNZ-UHFFFAOYSA-N 375.856 3.919 0 40 GHAB O=C(c1ccccc1NCc1cc(F)ccc1OC(F)F)N1CCC[C@@H](O)C1 656641912 JCJILJUSLUPHMA-OAHLLOKOSA-N 394.393 3.636 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1c(C(F)(F)F)n[nH]c1C)c1cccc(OC)c1 673733159 QBDYSGDCQBMHAH-OAHLLOKOSA-N 398.429 3.558 0 40 GHAB COc1ccc(Cc2ncc3c(n2)CN(C(=O)C(C)(C)c2ccccc2)C3)cc1 67982656 HKGWUVGMIYZFMA-UHFFFAOYSA-N 387.483 3.896 0 40 GHAB CC[C@@H](C)[C@H](CO)NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 606440334 CZTIPEWRGAMLAT-ZMZPIMSZSA-N 385.460 3.530 0 40 GHAB biogenic COc1ccc(N(Cc2ccco2)C(=O)CN2CCCCCCC2=O)cc1F 606811646 YFRMGHYJQXOWPW-UHFFFAOYSA-N 388.439 3.753 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1ccc(C(F)(F)F)nc1 390828486 BFCLAPGSLPULJD-GFCCVEGCSA-N 382.363 3.885 0 40 GHAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 44204220 UCXWKPJXTPOVOU-CQSZACIVSA-N 386.477 3.742 0 40 GHAB Cc1nc(-c2ccc(CCNC(=O)[C@@H]3Cc4ccccc4C(=O)O3)s2)cs1 65530565 BFVFNZRUPJTEAC-KRWDZBQOSA-N 398.509 3.620 0 40 GHAB CN1C(=O)N(C)[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1 106570569 SYNNHNSRVKJSLG-CKEIUWERSA-N 398.406 3.536 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3ccc(Cl)cc3)C2)CN1c1ccc(F)cc1 1615127250 DSHWWGCCWCKZJV-NRFANRHFSA-N 388.870 3.877 0 40 GHAB CCN(C1CCN(C(C)=O)CC1)[C@H]1CCOC2(CCN(c3ccccc3)CC2)C1 1615154292 GQQQRMNETYUXGF-QHCPKHFHSA-N 399.579 3.537 0 40 GHAB Cc1ccccc1NC(=O)CSc1ccc(-c2ccc3c(c2)OCO3)nn1 5108090 YQNBCGXCLSHGBZ-UHFFFAOYSA-N 379.441 3.912 0 40 GHAB CC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 12362755 BOIPPHKBNSOQIF-KRWDZBQOSA-N 375.513 3.791 0 40 GHAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2ccccc2)NC(=S)N1CC(C)C 12772228 FQXLNHJVNYYNEN-GOSISDBHSA-N 384.505 3.783 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(F)cc1Cl 12873943 NCKYBNHCZMPZGZ-ZDUSSCGKSA-N 387.846 3.691 0 40 GHAB CC(C)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 14597648 KOCFEVCLFGSZDC-MRXNPFEDSA-N 380.444 3.573 0 40 GHAB COc1ccc(C(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2)cn1 19286804 ZCLNOKYAEWMEFC-LJQANCHMSA-N 389.459 3.618 0 40 GHAB CO[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2C)C1 19657258 ZCSGCBUVRMKWFA-ZWKOTPCHSA-N 393.491 3.860 0 40 GHAB CCn1c(=O)n(CC)c2cc(-c3cncn3CCN(C)C3CCCC3)ccc21 19719646 DRMKEEZPBFHOOY-UHFFFAOYSA-N 381.524 3.581 0 40 GHAB COc1ncc(CN2CCC(c3cc4cc(OC)c(C)cc4cn3)CC2)cn1 19127195 OIOUXVSZBNYLEK-UHFFFAOYSA-N 378.476 3.730 0 40 GHAB Cc1cc(-c2csc(NC(=O)CNC(=O)Cc3ccccc3)n2)c(C)s1 10521156 GLAUJCLKDASWRF-UHFFFAOYSA-N 385.514 3.786 0 40 GHAB Cc1nc(C)c(CN2CCC[C@H](COc3ncc(Br)cn3)C2)s1 1775995994 QFEDNZSZKWUJOW-ZDUSSCGKSA-N 397.342 3.603 0 40 GHAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(CC4CCCCC4)C3)C2)cc1 1201389723 OXZXIBVNBJLFAU-QFIPXVFZSA-N 385.508 3.825 0 40 GHAB O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccccc1 4164514 RASKVCHLQXYZFU-UHFFFAOYSA-N 379.420 3.661 0 40 GHAB CC(C)(C)c1csc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)n1 4496233 TZEYIQFXVCHOOX-UHFFFAOYSA-N 386.926 3.897 0 40 GHAB O=C(CCOc1ccccc1)Nc1nnc(-c2ccc(Br)cc2)o1 5169717 REILXPRUCDICHO-UHFFFAOYSA-N 388.221 3.907 0 40 GHAB CC(C)(C)c1ccc(NC(=O)NCc2nnnn2-c2ccc(F)c(F)c2)cc1 12180704 DGJRFFBELWPGEB-UHFFFAOYSA-N 386.406 3.560 0 40 GHAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc21 17316227 HBJRXOQISFUZNU-UHFFFAOYSA-N 396.871 3.834 0 40 GHAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N2 35127809 CTPFQTOWZIWMNG-GMBSWORKSA-N 390.361 3.672 0 40 GHAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)NCc3cccc4ccccc34)C2)n1 575413847 DJVSIMWDSRTZHM-IBGZPJMESA-N 376.460 3.610 0 40 GHAB Cc1ccccc1S(=O)(=O)Oc1cc(CO)ccc1OCc1ccccc1 205473809 NTWQWAUAOQYLCL-UHFFFAOYSA-N 384.453 3.834 0 40 GHAB CC(C)COc1ccc(S(=O)(=O)NCC[C@@H](CCO)c2ccsc2)cc1 575608247 RCBLFTVXMZKSLH-INIZCTEOSA-N 397.562 3.618 0 40 GHAB CC[C@@H](Sc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)C(=O)OC 2496915 KPWVHOJBRODLJC-CYBMUJFWSA-N 396.921 3.578 0 40 GHAB Cc1cc(C)nc(SCC(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)n1 40080580 SPMHRTYUQBQZMO-AWEZNQCLSA-N 399.495 3.696 0 40 GHAB C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(NC(=O)C2CC2)cc1 30395887 YWQWZILHGBNKSS-JIJVXSHRSA-N 378.428 3.654 0 40 GHAB COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 100577560 YGUOOSFLZXPOAS-UHFFFAOYSA-N 398.499 3.928 0 40 GHAB CCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(OC)cc2)cc1 783930 XHSMJNMTWYDHDH-IBGZPJMESA-N 392.377 3.867 0 40 GHAB CCc1ccccc1-n1c(SCC(=O)NCC(C)C)nnc1-c1ccccn1 1362746 XNQMWBHEJZYXEK-UHFFFAOYSA-N 395.532 3.756 0 40 GHAB COc1cc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc(OC)c1OC 1620494 WYGZBLPTVVZJTD-UHFFFAOYSA-N 384.384 3.801 0 40 GHAB CCSc1nnc(NC(=O)c2ccccc2I)s1 4072019 NEYZSVXWUJINNV-UHFFFAOYSA-N 391.259 3.507 0 40 GHAB CC(C)(C)OC(=O)NCCNC(=O)c1cc2ccccc2n1Cc1ccccc1 20732051 ZIMLHXGQBMWTQN-UHFFFAOYSA-N 393.487 3.944 0 40 GHAB Cc1ccccc1[C@H](CC(=O)N1CCC(CCc2ccccc2)CC1)NC(N)=O 32470547 HSILPFZOHKHLSS-QFIPXVFZSA-N 393.531 3.966 0 40 GHAB O=C(COc1ccc2ccccc2c1)N1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 6062811 NAZVMRKYJCRHEF-BWAGFHJFSA-N 376.500 3.575 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(OCc2cn3ccccc3n2)cc1 7318705 RAAWRQVHTSIHRS-UHFFFAOYSA-N 387.395 3.894 0 40 GHAB COc1ccc2oc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)c(C)c2c1 32808952 WKHVPKVJFFKZPB-CYBMUJFWSA-N 387.457 3.644 0 40 GHAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O 51357689 DFTKCCOLVNAKKV-UHFFFAOYSA-N 399.878 3.646 0 40 GHAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C)nn43)CC2)cc1 100159350 SGRBLFMOFXMJSX-KDURUIRLSA-N 392.503 3.679 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC[C@H]2c2cccs2)c1 8340336 CZOHWFSAGCFDOL-HNNXBMFYSA-N 398.937 3.581 0 40 GHAB CCc1ccccc1N1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)CC1=O 21872788 ZTVMEIVAPLPZBX-INIZCTEOSA-N 390.405 3.937 0 40 GHAB Cc1cc(OCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ccc1Cl 9709845 CXDYMCNSANYHFQ-UHFFFAOYSA-N 383.839 3.654 0 40 GHAB CCOC(=O)c1sc(NC(=O)C2=C(c3ccccc3)SCCO2)nc1C 12321290 JVBDQTKKUCQBSD-UHFFFAOYSA-N 390.486 3.699 0 40 GHAB CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O 783413 ALVDUVWVGNMPRU-UHFFFAOYSA-N 385.464 3.922 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCCCC1)c1cccnc1 12390200 ZSPBLIXNNVCGEI-NRFANRHFSA-N 379.504 3.652 0 40 GHAB CCOc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)ccc1O 1005842 OAMULJBVTKOVQQ-AQTBWJFISA-N 385.441 3.906 0 40 GHAB CCNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1Cc1ccco1 12539600 IUEWAVDRJQWXHA-AWEZNQCLSA-N 398.488 3.518 0 40 GHAB CCc1cc(=O)n(CC(=O)N2CCc3ccccc32)c(-c2cccc(Cl)c2)n1 57527776 WSQCZJRHAKWQFE-UHFFFAOYSA-N 393.874 3.715 0 40 GHAB O=C(c1ccc(Cl)c(Cl)c1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 36070966 FYJXLIWLWXYKJT-KRWDZBQOSA-N 375.255 3.575 0 40 GHAB COc1ccc(CNC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 3259747 BXJIZTYSAUCMAC-UHFFFAOYSA-N 385.435 3.506 0 40 GHAB CCN(C(=O)COC(=O)c1cc(C2CC2)nc2onc(C)c12)C1CCCCC1 28477807 AEKDUUYWWNITQZ-UHFFFAOYSA-N 385.464 3.747 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 3332157 DSYQUUIDRWXIMZ-UHFFFAOYSA-N 393.443 3.683 0 40 GHAB CC(C)N(Cc1ccccc1)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 3315263 GFYDQPQEEIYNCW-UHFFFAOYSA-N 386.801 3.958 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccco2)c1 12753308 IHXCBQYAMCPRLG-UHFFFAOYSA-N 398.484 3.670 0 40 GHAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1cccc(Br)c1 12779970 YIBJLIDNSKBSMS-CQSZACIVSA-N 384.320 3.965 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)c1ccccc1SCC(=O)N1CCCC1 12876777 UWARNDNFRZKSCV-MRXNPFEDSA-N 398.528 3.901 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(Cl)cc1 12815501 IADZDMDYLAFWQK-CQSZACIVSA-N 391.874 3.888 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(OC)c2)cc1 12862493 SHGAFVXTCCMXED-UHFFFAOYSA-N 384.461 3.654 0 40 GHAB Cc1ccc(CN(C)C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12989952 UPNYCAKOCGNAKE-NRFANRHFSA-N 394.515 3.952 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1F 12911662 PLIPTCYLURBDJE-UHFFFAOYSA-N 385.483 3.546 0 40 GHAB O=C1CCSc2ccc(C(=O)NCc3ccccc3CN3CCCC3)cc2N1 12907508 BASSTIKEPIDWAI-UHFFFAOYSA-N 395.528 3.647 0 40 GHAB NC(=O)c1cc(-c2csc(NC(=O)CCCSc3ccccc3)n2)c[nH]1 12917224 HGUMIENWHWKHBI-UHFFFAOYSA-N 386.502 3.748 0 40 GHAB CC(C)N(CCNC(=O)c1csc(COc2ccc(F)cc2)n1)C(C)C 13008878 XLOCHJJGVRCLQJ-UHFFFAOYSA-N 379.501 3.710 0 40 GHAB CCCCOc1ccc(-c2nnc(SCC(N)=O)n2-c2ccccc2)cc1 26807032 GAKZZUNZVOAOTO-UHFFFAOYSA-N 382.489 3.691 0 40 GHAB Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c2ccccc21 13148213 GQCNUWPAQSPPPI-PDGQHHTCSA-N 397.500 3.617 0 40 GHAB O=C(OCCN1CCOC1=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1 64167679 GGPLYQCHACJLBT-UHFFFAOYSA-N 396.230 3.741 0 40 GHAB CC(C)Oc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 408708047 NPNCKWCLROSQHH-MRXNPFEDSA-N 386.879 3.797 0 40 GHAB COc1ccc(-c2cc(NC(=O)c3ccc[n+]([O-])c3)ccc2OC(F)F)cc1 22131620 BFIVCATXHBVBFN-UHFFFAOYSA-N 386.354 3.849 0 40 GHAB O=C(CSCc1ccc(Cl)cc1Cl)NN1C(=O)c2ccccc2C1=O 4547337 GRFKUSFJIQFSCQ-UHFFFAOYSA-N 395.267 3.554 0 40 GHAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)s2)cc1 4511368 KWZJZLSKUALVQD-UHFFFAOYSA-N 391.499 3.784 0 40 GHAB Cc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nnnn3C3CC3)n2)cc1 9114027 LMFIPXULDQVVEX-LLVKDONJSA-N 386.506 3.559 0 40 GHAB CSCC[C@H](NC(=O)c1cnc2ccccc2n1)c1nc2ccccc2[nH]1 6657495 WPSYOMJRJJFVRT-KRWDZBQOSA-N 377.473 3.730 0 40 GHAB COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccccc3OC)cs2)cc1 15832690 JEMNVOZRIDSPAP-AWEZNQCLSA-N 398.484 3.911 0 40 GHAB CCOc1ccc(C2N3CC4(C(C)C)CN2CC(C(C)C)(C3)C4=O)cc1OC 19323616 AHNLDDGSUZQGAE-UHFFFAOYSA-N 386.536 3.591 0 40 GHAB biogenic CNC(=O)c1ccc(CN(C)C(=O)c2cccc(OCc3ccccc3)c2)cc1 7846453 RNMNJWORLVUAGH-UHFFFAOYSA-N 388.467 3.897 0 40 GHAB COc1ccccc1NC(=O)COc1ccc(C(=O)Nn2c(C)ccc2C)cc1 8120850 AGGMLXBIFSKLOJ-UHFFFAOYSA-N 393.443 3.515 0 40 GHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cc1OC 9318073 OAKIKDNPMJFBOK-ZDUSSCGKSA-N 399.834 3.928 0 40 GHAB Cc1nn(C)c(Oc2cccnc2)c1CN1CC[C@H](COCc2ccccc2)C1 93684290 NQWODAKJJDTHQC-FQEVSTJZSA-N 392.503 3.955 0 40 GHAB Cc1cc(C)c2c(n1)sc1c(=O)n([C@H](C)C(=O)NC3CCCCC3)cnc12 9478180 KJFAFJYNIZNIBD-CYBMUJFWSA-N 384.505 3.633 0 40 GHAB C[C@H]1CCc2ccccc2N1CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 9682347 QIHMZXQXXKZWPV-SFHVURJKSA-N 391.515 3.705 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 408559994 NYPMSDNVUCRZRK-OAHLLOKOSA-N 398.484 3.544 0 40 GHAB CN(Cc1nccn1CC(F)(F)F)C(=O)[C@H]1C[C@]12CCCc1ccccc12 72304090 FQESARYJHTXQRL-APWZRJJASA-N 377.410 3.698 0 40 GHAB O=C(NC1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1)c1ccccc1 95441658 UCYIMBYDBYIMIR-HSZRJFAPSA-N 394.515 3.639 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1OC 9985976 JJIXXJJSAUBIDJ-PKNBQFBNSA-N 379.456 3.839 0 40 GHAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1C1=Cc2ccccc2OC1 79190452 NNAHMLLQXGJSHP-WIYYLYMNSA-N 390.391 3.677 0 40 GHAB biogenic Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1 67767344 BVCZIBDXVMPBQE-UHFFFAOYSA-N 377.853 3.519 0 40 GHAB O=C(OCc1ccccc1CN1CCOCC1)c1cccc(Br)c1 31948024 KWKHITZTJGWENL-UHFFFAOYSA-N 390.277 3.638 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccc(F)c(F)c1 408695202 NGCHYDUMZWMPKP-UHFFFAOYSA-N 390.411 3.523 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1cc2ccccc2n(C)c1=O 553282235 VNZDHPRCNAFVFE-OZOXKJRCSA-N 384.520 3.632 0 40 GHAB O=C(CN1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1)Nc1nccs1 72348900 VTTYDTPLGOXPCT-GOSISDBHSA-N 392.528 3.947 0 40 GHAB CC(=O)c1cc(CCC(=O)N[C@@H](c2ccccc2F)c2nccn2C)oc1C 30000063 HLHKNCWSINOTBH-FQEVSTJZSA-N 383.423 3.502 0 40 GHAB CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@@H](c3ccccc3)n3cccc3)nc21 62021926 YHRZGLJNJCTQQV-MAUKXSAKSA-N 395.484 3.766 0 40 GHAB COC(=O)c1cc(-c2cc(C)c(C)cc2OC(=O)c2cccc(OC)c2)on1 32594115 GCGJJPCBUJGGGJ-UHFFFAOYSA-N 381.384 3.973 0 40 GHAB NC(=O)c1ccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1 72348617 WDYUTOFEFPAODJ-FQEVSTJZSA-N 385.467 3.867 0 40 GHAB O=C(COC1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 40140669 FNCUATJQCBFUOB-UHFFFAOYSA-N 394.537 3.539 0 40 GHAB CC(=O)Nc1ccc([C@H]2CC(=O)c3cc4c(cc3-n3cccc32)OCCO4)cc1 225381127 BLKPKQDZCRDTLN-QGZVFWFLSA-N 388.423 3.925 0 40 GHAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NC[C@H]1CCCO1 225831101 JRKNCAFLXVNWOG-LJQANCHMSA-N 377.444 3.631 0 40 GHAB COc1ccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c(OC)c1 224123848 UPMXPGSQEDESKY-UHFFFAOYSA-N 379.478 3.945 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1C 222946580 RPNUCAPYYOWMPW-JOCHJYFZSA-N 380.532 3.912 0 40 GHAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 223624251 QGYGVMBPVWZZSC-VQTJNVASSA-N 384.549 3.743 0 40 GHAB COc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1Br 40413845 SONPCBGDBJXYHN-UHFFFAOYSA-N 390.686 3.590 0 40 GHAB O=c1c(Cl)c(Cl)cnn1CN1CCC[C@@H](c2nc3ccccc3o2)C1 47996190 QYXRUDNCXGHSGP-LLVKDONJSA-N 379.247 3.528 0 40 GHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccc(F)cc2)CC1 224888953 OIGPNKYMRUXXME-QGZVFWFLSA-N 382.479 3.821 0 40 GHAB CN(C)c1cccc(C(=O)NC2(c3nc(-c4cccnc4)no3)CCCCC2)c1 98212958 LNIYKRICKCLKCC-UHFFFAOYSA-N 391.475 3.787 0 40 GHAB COc1cc(-c2noc(-c3nc(-c4ccc(C)cc4)no3)n2)cc(OC)c1OC 98212382 YYRUDDDDNCVHDL-UHFFFAOYSA-N 394.387 3.788 0 40 GHAB O=C(CSc1ncnc2nc[nH]c12)N(Cc1ccccc1)Cc1ccccc1 95481728 XQJMYRAQUXFHMG-UHFFFAOYSA-N 389.484 3.674 0 40 GHAB COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccc(F)cc1)CC2 96061352 AUPYYUIRSXLTNN-QFIPXVFZSA-N 396.506 3.823 0 40 GHAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc5c(c4)OCCO5)OCC[C@@]31C2 257340921 ZICRWFZYABQZKR-HJWLRSHASA-N 385.504 3.866 0 40 GHAB Cc1nc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)sc1C 252022250 ZIDVWOQYNDEBLD-DKFLWKDZSA-N 397.500 3.653 0 40 GHAB COc1ccc(CCC(=O)N2CC(Oc3nc4c(OC)cccc4s3)C2)cc1 90594216 OIWZOBQMGTWNNM-UHFFFAOYSA-N 398.484 3.536 0 40 GHAB COCCOCc1cccc(NC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)c1 622765382 FWYCTHQIBFIAQB-KRWDZBQOSA-N 383.492 3.722 0 40 GHAB Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@H](c4nc(O)n[nH]4)C3)c2)cc1 1679067314 MSAUGZMTNBQXPR-IBGZPJMESA-N 391.475 3.575 0 40 GHAB CC(C)c1csc([C@H]2CCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)n1 675332649 FIAFNCUNVURIKC-HNNXBMFYSA-N 381.505 3.867 0 40 GHAB CCc1ccc2cc(CNc3ccc(N4CCC[C@H](O)C4)cc3)c(=O)[nH]c2c1 72396153 SMOYCHBHFDNZHW-NRFANRHFSA-N 377.488 3.664 0 40 GHAB Cc1ccc(OC2CCN(C(=O)Cc3ccc(SC(C)C)cc3)CC2)nn1 96119439 GJQBCXGNZUADAK-UHFFFAOYSA-N 385.533 3.898 0 40 GHAB CN1CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)[C@@H](Cc2ccccc2)C1 1659280026 ACRFAWVVFQBTAG-IBGZPJMESA-N 383.442 3.979 0 40 GHAB CN(Cc1ccc(F)cc1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 12631037 RWKZEEAGXZENEU-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)[C@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1 19291181 HISDHZJSKBUWOC-SFTDATJTSA-N 392.478 3.602 0 40 GHAB O=C(Cc1ccccc1Cl)N1CCC[C@H](c2nnc(-c3ccccn3)o2)C1 19348110 KZDJBARANWSJKK-HNNXBMFYSA-N 382.851 3.734 0 40 GHAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)[C@H]4CCCO4)CC3)noc2n1 19522042 GELIDBQDPLLOGW-CQSZACIVSA-N 397.397 3.689 0 40 GHAB Cc1nc(C2CCN(C(=O)Cc3cccc(O)c3)CC2)sc1-c1ccncn1 19560670 BPYHDHQUKCKTAP-UHFFFAOYSA-N 394.500 3.563 0 40 GHAB CCc1cc(-c2cc(NCC3(c4ccccc4)CCOCC3)nc(C)n2)n(C)n1 19655727 YRMFDKJGYUTIIF-UHFFFAOYSA-N 391.519 3.908 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 6441443 XLRXDJDVOWPAAN-LICLKQGHSA-N 398.396 3.523 0 40 GHAB Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N1CCN(C)CC1 226329779 QBCKESLAWQZKMP-UHFFFAOYSA-N 380.536 3.879 0 40 GHAB O=C(CCc1ccc(OC(F)(F)F)cc1)NCc1cc(O)nc(C2CCC2)n1 636319418 QSSBIHNJNAXAOM-UHFFFAOYSA-N 395.381 3.597 0 40 GHAB COCCC(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2cc(C)no2)cc1 19123853 FRXBTMACVGOESK-UHFFFAOYSA-N 394.475 3.883 0 40 GHAB COc1cc(C(=O)N(Cc2ccccc2)c2ccccn2)cc(OC)c1OC 1473477 QEZJITSKJWRSOZ-UHFFFAOYSA-N 378.428 3.954 0 40 GHAB COc1ccc(CNC(=O)N2CCC[C@H](c3nc(-c4cccs4)no3)C2)cc1 1888990287 YBJDQJWDWGXBRZ-HNNXBMFYSA-N 398.488 3.896 0 40 GHAB COCCN(CCOC)C(=O)c1oc2ccccc2c1COc1ccccc1 29631676 JLVMGYFAJBKSPR-UHFFFAOYSA-N 383.444 3.747 0 40 GHAB O=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccccc1Cl 9660931 HPBMANBZUTXKCC-UHFFFAOYSA-N 388.254 3.647 0 40 GHAB Cc1nc(OC(C)C)cc(N2CCN(C(=O)c3cccc4ccccc34)CC2)n1 12223753 UOQVOTMBZFIDDH-UHFFFAOYSA-N 390.487 3.688 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)s1 13696513 JIXKONVMGDAORY-UHFFFAOYSA-N 378.519 3.793 0 40 GHAB O=C(NCCOc1ccccc1)NC[C@H](O)c1ccc(-c2ccsc2)s1 1775966871 JUORXCIGJJOXFB-INIZCTEOSA-N 388.514 3.888 0 40 GHAB CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 23127549 SNVWTPYPFZZPJT-UHFFFAOYSA-N 399.560 3.838 0 40 GHAB O=C(NCC1CCN(CC(F)(F)F)CC1)c1cc(Br)cs1 189298508 CTSTZHBAYWXULM-UHFFFAOYSA-N 385.249 3.515 0 40 GHAB O=S(=O)(N1CCCCCC1)N1CCc2sccc2[C@H]1c1ccccc1 40039935 POJSNBHTYUGOIE-LJQANCHMSA-N 376.547 3.816 0 40 GHAB O=C(CNc1cccc2c1CCCC2)Nc1cc(Cl)ccc1-n1cncn1 30289693 IDAUKTGOSPBRTN-UHFFFAOYSA-N 381.867 3.850 0 40 GHAB COc1ccc(-c2nc(NCCc3c[nH]c4ccccc34)nc(O)c2C#N)cc1 40129965 RHUGGJYXUVITPA-UHFFFAOYSA-N 385.427 3.865 0 40 GHAB CCc1nnc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)s1 40119823 ISTZCISRNAMRPJ-UHFFFAOYSA-N 375.885 3.738 0 40 GHAB CC1(C)CC(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC(C)(C)N1 11422820 URDLIGJDIOGIRH-UHFFFAOYSA-N 389.540 3.750 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)ccc1Cl 866120 KRVAFVLUYBVVMN-UHFFFAOYSA-N 380.897 3.931 0 40 GHAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 4288522 YMJJHAIXFNYAGL-HGJSICKSSA-N 394.515 3.715 0 40 GHAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCC2)cc1 4357978 LQXNPGHLTASECA-UHFFFAOYSA-N 392.528 3.881 0 40 GHAB Cc1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)n1-n1cccc1 4518404 HMYCBQKDBVWSML-UHFFFAOYSA-N 382.276 3.737 0 40 GHAB CC(C)(C)NC(=O)[C@H](OC(=O)c1nsc(Cl)c1Cl)c1ccncc1 4923844 YWVTVERXTDCWLK-LLVKDONJSA-N 388.276 3.658 0 40 GHAB Cc1cc(C)cc(OCC(=O)Nc2ncc(I)cc2C)c1 6572423 OFIVWOFHLQGRTA-UHFFFAOYSA-N 396.228 3.629 0 40 GHAB Cc1csc(=O)n1CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 6607379 ZEBPKSHRSHINEG-UHFFFAOYSA-N 381.453 3.701 0 40 GHAB COc1ccc(-c2noc(CSc3nc4ccccc4n3C)n2)cc1OC 7901332 SIKUOVCVQNKEKV-UHFFFAOYSA-N 382.445 3.933 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CS(=O)(=O)Cc1cc(C)cc(C)c1 32796772 VWLPUQGTHIFETI-UHFFFAOYSA-N 395.908 3.827 0 40 GHAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc2ccc(C)cc2[nH]1 32760162 YKBZXAFFNXDYRB-UHFFFAOYSA-N 380.473 3.827 0 40 GHAB O=C1/C(=C/c2cccs2)NC(=S)N1C(=O)c1ccc(Cl)cc1Cl 2655581 WUHFXHNNUALMJW-GHXNOFRVSA-N 383.281 3.953 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 8273516 OCVNFUSKCCXUCH-UHFFFAOYSA-N 379.460 3.897 0 40 GHAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 21903675 JOBIXYHHGDYZDD-UHFFFAOYSA-N 390.490 3.619 0 40 GHAB Cc1cc2nn(-c3ccc(C(=O)OC(C)C)cc3)nc2c(Br)c1N 57353842 SBQCSWUXAVXPPI-UHFFFAOYSA-N 389.253 3.639 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc(-c2nnco2)cc1 22618879 DSTPPHIGZPGNTN-UHFFFAOYSA-N 375.787 3.567 0 40 GHAB CCOc1ccc(/N=c2/scc(-c3ccc(O)c(C(N)=O)c3)n2C2CC2)cc1 102962602 UGGBLVKJATZPMZ-XTQSDGFTSA-N 395.484 3.987 0 40 GHAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(NC(N)=O)cc1 104256883 JRGAUMFRKBWMDR-LLVKDONJSA-N 383.839 3.712 0 40 GHAB Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 25249234 APRRTSKFQGDRDY-UHFFFAOYSA-N 394.427 3.871 0 40 GHAB CCc1nn2c(C)c(C(=O)OCCOC)nnc2c1-c1cccc2ccccc12 20797777 NCDPZVNZHNRLEQ-UHFFFAOYSA-N 390.443 3.619 0 40 GHAB Cc1nc(SCC(=O)Nc2cc(C(C)C)no2)n(C[C@H]2CCCO2)c1C 24514303 LBCVLZKJJPDCNN-CQSZACIVSA-N 378.498 3.521 0 40 GHAB CCc1c(C(=O)N2CCN(Cc3cccs3)CC2)cnn1-c1ccc(F)cc1 24569393 IKCBHSGEHLZFAQ-UHFFFAOYSA-N 398.507 3.593 0 40 GHAB Cc1nc2cc(NC(=O)c3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)ccc2o1 25075048 XOHXLRKMYAGWGM-HUUCEWRRSA-N 379.460 3.998 0 40 GHAB COc1ccc(CC(=O)Nc2cc(C)nn2Cc2ccc(F)cc2)cc1OC 1429230 BEDWFMZMDGYHQQ-UHFFFAOYSA-N 383.423 3.577 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 8561914 MACSTQYFXVKWAV-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB Cc1ccc(-n2c(-c3ccccc3F)nn(CN3CCOCC3)c2=S)cc1 25356526 LXJPZZVJESSPMM-UHFFFAOYSA-N 384.480 3.808 0 40 GHAB COc1ccc(NC(=O)NCCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1 25468423 GUOOLEYXJJGLMP-ZDUSSCGKSA-N 391.418 3.705 0 40 GHAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(OCc2ccc(F)cc2)c1 26544210 BCIUFWQMZAXFIT-UHFFFAOYSA-N 376.409 3.810 0 40 GHAB CC(C)NC1CCN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 108368089 ZGHSGUFVLWBMOY-JOCHJYFZSA-N 375.532 3.636 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1OC 1934399 LFCCGKMGYGUHPR-CSKARUKUSA-N 389.835 3.861 0 40 GHAB CCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 57670622 QJRHLGZEORQVCT-NRFANRHFSA-N 394.498 3.524 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COC[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 101244366 DBSDEURTFPMJNX-ANTGDGSKSA-N 392.971 3.584 0 40 GHAB CCCn1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 12556682 PRFGISBHXGQMDJ-AWEZNQCLSA-N 380.423 3.577 0 40 GHAB CN(C(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1 3275550 MTBAYOQZKFTYCK-UHFFFAOYSA-N 391.562 3.747 0 40 GHAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C)cc2)C1=O 2108344 RSOCZCIKLJDAHG-NZQKXSOJSA-N 387.483 3.571 0 40 GHAB biogenic O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NCc1ccccc1Cl 3219522 OWLCFMFFEXDYTG-UHFFFAOYSA-N 385.769 3.761 0 40 GHAB CC(=O)N[C@H](CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1cccs1 28000129 RSVYAYAKQWHCIB-GOSISDBHSA-N 396.516 3.598 0 40 GHAB COc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)c1 3312619 VWODFQSARKFWEE-UHFFFAOYSA-N 376.412 3.528 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)NC3CCN(C4CC4)CC3)ccc2s1 48368461 BRHJTSGLDNOEHB-UHFFFAOYSA-N 387.505 3.826 0 40 GHAB Cc1cc(C(=O)CSc2nncn2-c2ccccc2)c(C)n1C[C@H]1CCCO1 3546110 XCLOPYQIHZAAAI-GOSISDBHSA-N 396.516 3.840 0 40 GHAB CNC(=O)c1ccc(CN(C(=O)c2cnc(Cl)c(Cl)c2)C2CC2)cc1 13009066 UPYCBIPBNWYCIC-UHFFFAOYSA-N 378.259 3.553 0 40 GHAB Cc1ccccc1[C@@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)C(C)C 4036135 DXEKQGVXELYYMD-FQEVSTJZSA-N 399.516 3.700 0 40 GHAB Cc1ccc(OCC(=O)N2N=C3CCCCC[C@H]3[C@]2(O)C(F)(F)F)cc1C 5024390 AXQKTTYQSLEIPV-QAPCUYQASA-N 384.398 3.712 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1C[C@@H]1CCCO1 5149954 MIWOZAYCQBGPTM-HNAYVOBHSA-N 379.387 3.656 0 40 GHAB Cc1c(C)c2cc(Cl)c(O[C@@H](C)C(=O)NCc3ccccn3)cc2oc1=O 5267324 IPGGKAQJLRTMBC-ZDUSSCGKSA-N 386.835 3.542 0 40 GHAB Cn1cc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3cnn(C)c3)C2)cn1 13960626 SATVSKURZDKFJY-IBGZPJMESA-N 389.488 3.633 0 40 GHAB COCCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)s1 6427307 YPUJJQGRUJNIOY-QMMMGPOBSA-N 390.893 3.508 0 40 GHAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1c1nnc2ccccn12 14197119 NIYILGVNVHNIOA-CYBMUJFWSA-N 397.287 3.562 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccccn1 4555118 DXEDIZNAAHBXGS-DEOSSOPVSA-N 386.451 3.522 0 40 GHAB O=C(CN1CCCc2ccccc21)Nc1ccccc1C(=O)NC1CCCC1 8746837 MORJBNOIONFXMR-UHFFFAOYSA-N 377.488 3.750 0 40 GHAB COc1ccc(-n2c(Sc3ncnc4c3cnn4C)nc3ccccc32)cc1 14225608 LEWGJEBVKOOIAM-UHFFFAOYSA-N 388.456 3.862 0 40 GHAB CCCOc1cccc(C(=O)Nc2nonc2-c2ccc(OC)c(OC)c2)c1 5482771 WVASNTHYWQCXIF-UHFFFAOYSA-N 383.404 3.795 0 40 GHAB Cc1cc(C)nc(N2CN(Cc3ccccc3)CN=C2N2CCc3ccccc32)n1 20636372 QUVALIVYJIRUNY-UHFFFAOYSA-N 398.514 3.749 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cccc(Br)c1 5677222 JMONCQUWSFRRNJ-CQSZACIVSA-N 390.277 3.743 0 40 GHAB Cc1nc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c2ccccc2n1 6879130 WIMRNZNNWOKMPV-ZDUSSCGKSA-N 395.484 3.679 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc[nH]1 8850026 YKVRCHZYLHBZKF-UHFFFAOYSA-N 375.457 3.692 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 8879117 ZHJQGEMAHXSVBT-INIZCTEOSA-N 382.489 3.673 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(OC)c1 15334120 BZUXUCCQNNRGLL-CYBMUJFWSA-N 387.910 3.945 0 40 GHAB O=C(c1cc(Br)c[nH]1)N1CCN(Cc2cccc3ccccc23)CC1 15496994 VRTMWGMNDCFHQF-UHFFFAOYSA-N 398.304 3.888 0 40 GHAB COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)N(C)c1ccccc1 7266330 UXJUIPALVZDFPB-AWEZNQCLSA-N 391.309 3.941 0 40 GHAB Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3Cl)c2C)c1 71327113 RRFSDVZGBJKTTN-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB CCOC(=O)Cn1c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 7545146 ZDUVBYSPTXUQOG-CQSZACIVSA-N 397.862 3.773 0 40 GHAB Cc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(Cl)c1)S2 9237893 XOQYIEMKVYYXSA-HOTGVXAUSA-N 385.880 3.638 0 40 GHAB O=C(NCc1ccccc1CN1CCCCC1)c1cnn(Cc2ccccc2)c1 7941510 FARFYUMXJXAFJV-UHFFFAOYSA-N 388.515 3.847 0 40 GHAB Cc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8193995 NEZDOBZHEOQHKU-NRFANRHFSA-N 392.499 3.883 0 40 GHAB Nc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCOCC1 20154071 WOJGLYUSNNAIBT-UHFFFAOYSA-N 387.483 3.876 0 40 GHAB CN(C)CCCn1cnc2cc(NC(=O)c3cc(-c4cccs4)n[nH]3)ccc21 96231179 JKBXATQHJMCLSK-UHFFFAOYSA-N 394.504 3.692 0 40 GHAB CCCCNS(=O)(=O)c1cccc(NC(=O)CCc2ccc(C)cc2C)c1 22186085 PAABPRLQAZQDNR-UHFFFAOYSA-N 388.533 3.953 0 40 GHAB CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 409249360 UDIDVZRGMZIOJB-MHWRWJLKSA-N 386.835 3.840 0 40 GHAB CCC(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@@H]1c1cccc(C)c1 97105782 SLNWXGBEOZLEEU-HXUWFJFHSA-N 399.516 3.844 0 40 GHAB CN(C)CCn1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 97164612 BEIKVANWYKYGAN-UHFFFAOYSA-N 375.782 3.761 0 40 GHAB CC(C)(CCO)NC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 95451251 CBBFRBPOFOAJSY-BUHFOSPRSA-N 389.499 3.889 0 40 GHAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)NC1=NCCS1 408621011 KXXCZCJTYWRTIA-SOFGYWHQSA-N 391.905 3.707 0 40 GHAB O=C(COC(=O)C1(c2cccc(Cl)c2)CCCCC1)NCc1ccco1 22829976 HAWGNHZLMRKKLI-UHFFFAOYSA-N 375.852 3.995 0 40 GHAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc4cc[nH]c4c3)cc2O1 32124438 HSEMGEYVBBRBAA-UHFFFAOYSA-N 380.400 3.635 0 40 GHAB biogenic COc1ccc(-c2cc(C(F)F)nc(NCCn3ccc(C)n3)n2)cc1OC 36618581 UPKKVFFESYRWGT-UHFFFAOYSA-N 389.406 3.715 0 40 GHAB CC[C@H](Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 219585039 UEHFFLDMDBYIJB-KRWDZBQOSA-N 399.422 3.700 0 40 GHAB COC(=O)c1c(NC(=O)c2cccc(N3CCCC3=O)c2)sc2c1CCCC2 219209964 YXVONRUJYINESU-UHFFFAOYSA-N 398.484 3.793 0 40 GHAB Cc1c(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)cnn1[C@@H]1CCOC1 529455981 BVXMNBDGDBCKGP-QGZVFWFLSA-N 375.419 3.882 0 40 GHAB COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(F)c1 35685033 DPLCRTUSIOYDSO-MRXNPFEDSA-N 380.379 3.869 0 40 GHAB COC[C@H](C)N(C(=O)c1ccc(C(=O)OC)cc1F)[C@@H]1CCc2ccccc21 1543616072 CPOOCDYFVQIUEF-VBKZILBWSA-N 385.435 3.777 0 40 GHAB CCCC[C@@](C)(O)C/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)OC 39302627 OJLOPKGSLYJEMD-MROOUZHLSA-N 382.541 3.954 0 40 GHAB in-vitro CCc1ccc([C@@H]2[C@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218659835 OWVUZDSLPMWCEM-IXDOHACOSA-N 379.934 3.744 0 40 GHAB O=C(N1CCCSC[C@H]1CN1CCCC1)C1(c2cccs2)CCCC1 79669223 QZWKRMXIXUSBAK-QGZVFWFLSA-N 378.607 3.990 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C 225214132 XKEWWSOWUQXCBR-SFHVURJKSA-N 384.545 3.700 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 222499964 KGLAYHIWUVRSCB-PGRDOPGGSA-N 396.531 3.960 0 40 GHAB COc1ccc(Nc2cc(N)nc(-c3ccc(OC)c(OC)c3)n2)c(OC)c1 49468228 IOWOOAVKQJDSTJ-UHFFFAOYSA-N 382.420 3.504 0 40 GHAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CC 225656914 ARCNOEOFDBQOOH-QFIPXVFZSA-N 396.531 3.961 0 40 GHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccc(OC)cc1 222907664 WLXSAAHEULCBMK-MRXNPFEDSA-N 386.467 3.668 0 40 GHAB CCOC(=O)C1CCN(C(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)CC1 222918201 PIRXTXQJKQQAFK-IBGZPJMESA-N 375.509 3.943 0 40 GHAB O=S(=O)(NCc1ccnc(-c2ccco2)c1)c1ccc(C(F)(F)F)cc1 225658754 FRNUZSFMCBDGKV-UHFFFAOYSA-N 382.363 3.839 0 40 GHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCc2ccccc2C1 223411746 CZRGNVYAVABNNP-IBGZPJMESA-N 392.543 3.897 0 40 GHAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(Oc2ncccc2Cl)CC1 96096858 AGKGATSWKDONGI-UHFFFAOYSA-N 382.851 3.809 0 40 GHAB Cc1ccc2nc(C[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3CC(=O)O)[nH]c2c1 514289070 NDUKMXGMEWUCCA-ROUUACIJSA-N 391.471 3.667 0 40 GHAB biogenic,in-vitro CNc1ncc(CN2[C@H]3CC[C@@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)cn1 248068280 RQTPMSGKPLVQOH-QILLFSRXSA-N 392.425 3.969 0 40 GHAB Cc1ncccc1OC[C@H]1CCCN1C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 529498470 XVRZPMFUYBESQB-VQIMIIECSA-N 388.414 3.860 0 40 GHAB Cc1nnc([C@@]2(C)CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)o1 257298732 RNBQORJXQCTQMO-NRFANRHFSA-N 381.432 3.890 0 40 GHAB COc1cccc(C(=O)N2CCC(c3cnc(-c4c(C)noc4C)cn3)CC2)c1 257293218 QOPCLTUCRLCQJV-UHFFFAOYSA-N 392.459 3.777 0 40 GHAB CC(C)[C@H]1O[C@H]2c3cc(CCC(=O)O)ccc3OC(C)(C)[C@@H]2C[C@@H]1C(=O)O 257201211 AGTOMTZBAFYEJE-SFUIVIKGSA-N 376.449 3.678 0 40 GHAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)[C@@H]2C[C@H]2C)C1 253590795 FSYBVIZTRUHGCI-HFXUHXBXSA-N 396.487 3.712 0 40 GHAB O=C(CN1CCCCC1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257223278 DWQHRKVMLHYQEG-FQEVSTJZSA-N 385.483 3.944 0 40 GHAB CO[C@H](C(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(C)cc1)[C@H]1CCOC1 622845989 WPEQRHUQHUFNEH-LPHOPBHVSA-N 387.501 3.894 0 40 GHAB COc1cncc(C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)n1 618238235 UUXPFPMAFSDSGN-GOSISDBHSA-N 395.381 3.621 0 40 GHAB O=C(CC(C1CCC1)C1CCC1)N1CCn2c(Cc3ccccc3F)nnc2C1 627986255 MFSGGNCVLUVDCB-UHFFFAOYSA-N 396.510 3.957 0 40 GHAB Brc1cccc(-c2noc(-c3ccn(C4CCOCC4)n3)n2)c1 606444896 DFASXLRAFCKNRT-UHFFFAOYSA-N 375.226 3.714 0 40 GHAB CCSc1ccccc1C(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390831362 RLABVLVWFJIKOK-IBGZPJMESA-N 389.542 3.801 0 40 GHAB O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390832326 YQVNWBVTSDILKK-KRWDZBQOSA-N 397.418 3.707 0 40 GHAB COc1ccc(/C=C/c2nc3ccc(Br)cc3c(=O)[nH]2)cc1OC 58018593 DTJWMJCHZZWTND-XBXARRHUSA-N 387.233 3.873 0 40 GHAB CCN(CC(=O)Nc1cc(Cl)ccc1OC)Cc1ccc2c(c1)OCO2 11351776 KUYVWXPJTBVYSX-UHFFFAOYSA-N 376.840 3.538 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)cc2n1 12230115 SOTVGLPZFKTXPT-HUUCEWRRSA-N 396.413 3.543 0 40 GHAB CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 12293696 GOXDKFVCTRRDGZ-FCHUYYIVSA-N 397.515 3.778 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4cccc(F)c4)C[C@H]23)cc1 19019428 SEPLZUNGSPQUEF-DNVJHFABSA-N 382.479 3.671 0 40 GHAB Cc1cccc(OC[C@@H]2CCCN(C(=O)[C@@H](C)Oc3ccc4c(c3)OCO4)C2)c1 19235153 KBKZBAXJKWAPEY-QZTJIDSGSA-N 397.471 3.809 0 40 GHAB Cn1ncc(-c2csc(NC(=O)c3ccncc3)n2)c1-c1ccc(F)cc1 19697046 YDHOBNOSIYDTQD-UHFFFAOYSA-N 379.420 3.997 0 40 GHAB Fc1ccc(-c2cccc(CN3CCC[C@H](c4nnc5n4CCNC5)C3)c2)cc1 19710977 VGHJERBIUBTKBB-FQEVSTJZSA-N 391.494 3.567 0 40 GHAB O=C(NCC[C@H]1CCCCN1C(=O)CCc1ccc(F)cc1)c1ccccc1 19749180 YJWNVWLCYNIOIF-OAQYLSRUSA-N 382.479 3.960 0 40 GHAB CCOc1cc(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)ccc1OC 12119228 VZSDFCYDSBUFQL-QGZVFWFLSA-N 382.460 3.839 0 40 GHAB CCc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1 16755700 OVRARXJYUNBXGJ-UHFFFAOYSA-N 387.530 3.905 0 40 GHAB COc1ccc(CN(C)C)cc1[C@H]1C[C@](C)(NC(C)=O)[C@@H]2CC[C@@H](C)C[C@H]2O1 1848356628 RNKWFAZQWZAOKW-AJCSZOCDSA-N 388.552 3.918 0 40 GHAB O=C1N(c2ccccc2)CCCC[C@@]12CN(CCCc1ccccc1)CCO2 2037980787 IUBUEHLJVCEGIT-XMMPIXPASA-N 378.516 3.907 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4ccco4)ccc32)cc1 5375211 IQWJDEMLGVJWLM-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc2c(F)cccc2s1 10218998 ZFPLLDOMWHYCOG-UHFFFAOYSA-N 396.440 3.767 0 40 GHAB CNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccc(Cl)cc2)CC1 2055739032 ITGJXKWGHIPYNI-UHFFFAOYSA-N 375.875 3.672 0 40 GHAB Cc1cc2c(N3CCC[C@@H](COc4ncccc4C(F)(F)F)C3)nccn2n1 1775970882 IQYUZRUJSGFNCM-CQSZACIVSA-N 391.397 3.747 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)N2CCOCC2)cc1 23105769 JJUPYOCWEHDRJU-LJQANCHMSA-N 392.421 3.817 0 40 GHAB COc1cccc2cc(C(=O)NCCn3ccn4nc(-c5ccco5)cc34)oc12 206750228 YUCLONPZRQREJY-UHFFFAOYSA-N 390.399 3.581 0 40 GHAB O=S(=O)(c1c(F)cccc1F)N1CCS[C@@H](c2cccs2)CC1 219548092 ZBJUVXFPIPSQHN-CQSZACIVSA-N 375.487 3.895 0 40 GHAB CSc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1 247983510 YJVFSZXYNJBFPS-DOPJRALCSA-N 379.489 3.658 0 40 GHAB CC(C)N1CNC2=N[C@H](c3ccc(Cl)cc3)n3c(nc4ccccc43)N2C1 20101309 RDLRIAVIFPSTCJ-SFHVURJKSA-N 380.883 3.641 0 40 GHAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)Sc1ccc(C)cc1 30884467 XSQRPKWMCYHXDJ-FOIQADDNSA-N 396.512 3.857 0 40 GHAB Cc1noc(C)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20294738 LHPRYZJBRDAOHX-UHFFFAOYSA-N 375.472 3.839 0 40 GHAB Cc1cccc(-n2c(S[C@@H](C)C(N)=O)nnc2-c2c[nH]c3ccccc23)c1 28849253 VXBZJZMTVYNPCN-ZDUSSCGKSA-N 377.473 3.690 0 40 GHAB COc1ccc(C2=C[C@@H](c3cccc(Br)c3)n3nnnc3N2)cc1 101106557 LETVDAWROJXYBG-INIZCTEOSA-N 384.237 3.500 0 40 GHAB CC(=O)c1cccc(NC(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1 1380770 MOVUKQDWMLUGEQ-UHFFFAOYSA-N 381.411 3.642 0 40 GHAB Cc1ccc(C(=O)Nc2nnc(SCC(=O)NC3CCCCC3)s2)cc1 1381452 MMYUOJSFEJZMLY-UHFFFAOYSA-N 390.534 3.640 0 40 GHAB O=c1c(CN2CCCCCC2)coc(O)c1CN1CC[C@H](c2ccccc2)C1 101373447 ULYPMYDQNRDGJO-IBGZPJMESA-N 382.504 3.711 0 40 GHAB COCCN(CCOC)C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 20816111 YTZZXFBXMJMNGY-UHFFFAOYSA-N 378.472 3.945 0 40 GHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(C2CC2)nc2ccccc12 20937970 NNKCSIOWCHFNJN-UHFFFAOYSA-N 393.531 3.877 0 40 GHAB COC(=O)[C@@H](C)Sc1nnc(-c2cccc(OC)c2)n1-c1ccc(C)cc1 4359084 HGSWFKWGGZARKX-CQSZACIVSA-N 383.473 3.905 0 40 GHAB COc1cc(C(=O)OCC(=O)c2ccccc2)cc(Br)c1OC 6380706 SRXVBPHKQJRLKT-UHFFFAOYSA-N 379.206 3.506 0 40 GHAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Br)cc2)NC(=S)N1 7552994 VTUVTMXWKVFEBX-CQSZACIVSA-N 383.311 3.585 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)n2)cc1 7777432 NYDHRSCTZOQLNZ-KXBFYZLASA-N 387.530 3.765 0 40 GHAB CSc1ccccc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 7872150 VEGHZJNDSKJDJQ-GFCCVEGCSA-N 398.937 3.855 0 40 GHAB Cc1ccc(N(CCCC(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1 8480475 IUSLBPWZVNMJTB-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB CC(C)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810009 KGAJXGYWQSRTLE-UHFFFAOYSA-N 384.860 3.666 0 40 GHAB Cc1nc(C)c(CCC(=O)N2CCc3sccc3[C@H]2c2cccs2)c(=O)[nH]1 32842970 IKFVOVOGTUHOTL-IBGZPJMESA-N 399.541 3.617 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 10840125 RXIDSTIXRPETMG-WFASDCNBSA-N 391.468 3.977 0 40 GHAB COc1cccc(CNC(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)c1 32909559 WMBUUFSHIPDTRC-IBGZPJMESA-N 380.469 3.544 0 40 GHAB CCOc1ccccc1N[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 101276999 ISDBGCKKVWQEDB-OAHLLOKOSA-N 389.249 3.592 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 9063536 HLJLWKAPHPOATB-UHFFFAOYSA-N 397.494 3.816 0 40 GHAB CCn1c(S)nc2cc(C(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)ccc2c1=O 102832518 DYQLTDZMIDBUKP-CHWSQXEVSA-N 399.438 3.556 0 40 GHAB Brc1cc2c(cc1NCc1nc(-c3ccsc3)no1)OCCO2 46568321 XZKXMMJANJRTOW-UHFFFAOYSA-N 394.250 3.944 0 40 GHAB COC(=O)C1=C(N)Oc2cc(N(C)C)ccc2[C@@H]1c1ccc(Cl)cc1Cl 621944 OPERKJFQOSLDQS-INIZCTEOSA-N 393.270 3.927 0 40 GHAB Cc1noc([C@H]2CCCN(C(=O)COC(c3ccccc3)c3ccccc3)C2)n1 54121511 JMSUBNQCTXUUKN-FQEVSTJZSA-N 391.471 3.890 0 40 GHAB CCOC(=O)c1c(NC(=O)CCN2CCCCC2)sc2c1CC[C@H](C)C2 948374 KPEQDEAFUOHMOJ-AWEZNQCLSA-N 378.538 3.864 0 40 GHAB COC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C1=O 106750751 BFEUVLSFQGJNPD-ZROIWOOFSA-N 389.454 3.949 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 69371885 IYBQTKVPVQXRCG-BRWVUGGUSA-N 378.513 3.635 0 40 GHAB Cn1nnnc1SCCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 56282239 ZUFYNIGXBBGIRX-UHFFFAOYSA-N 389.868 3.777 0 40 GHAB O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2 107349476 IKCHFJXBVFYKJL-WQCNXYOZSA-N 396.453 3.631 0 40 GHAB O=C(CSc1nc(NC2CC2)c2ccccc2n1)N1CCc2ccccc21 17736044 ZKNBUIQQGVDDLR-UHFFFAOYSA-N 376.485 3.886 0 40 GHAB O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cccnc1S 58008382 HGCRHYUCKKWSFG-UHFFFAOYSA-N 395.450 3.784 0 40 GHAB COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCC2)cc(OC)c1 58103086 KWCZZGOQKUBEIE-MDZDMXLPSA-N 380.444 3.592 0 40 GHAB O=C(Nc1cc(F)cc(N2CCCC2)c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 58209281 RBFDATUHZVSHCV-FQEVSTJZSA-N 397.450 3.796 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O 3340627 QQBZGUJFAXOYDB-UHFFFAOYSA-N 385.508 3.785 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccnc1Cl 3333103 KXYVPVJMVDISHW-UHFFFAOYSA-N 387.896 3.668 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)cc1 2232748 DCQFHLXENHFLCP-UHFFFAOYSA-N 394.456 3.608 0 40 GHAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(-n4cncn4)cc3)s2)cs1 12752420 JBWRVBUXUKGNPU-UHFFFAOYSA-N 395.513 3.733 0 40 GHAB CCCCc1nc2cc(NC(=O)c3cccc(CS(C)(=O)=O)c3)ccc2[nH]1 48290781 QSPYSNOVXMSSBU-UHFFFAOYSA-N 385.489 3.702 0 40 GHAB CC(=O)c1ccc(N2CCN(c3nnc(-c4ccccc4)s3)CC2)c(F)c1 48302691 ZEKGKFXQKFXXCE-UHFFFAOYSA-N 382.464 3.873 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCc1ccc2c(c1)OCCO2 3434165 NFBKUVOTRLVDRH-UHFFFAOYSA-N 397.862 3.578 0 40 GHAB Cn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc2c1=O 3507265 TXNYRLJTSXGSBS-UHFFFAOYSA-N 394.283 3.971 0 40 GHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1c(C)[nH]c2ccccc12 3571468 OTEMEUDSBJCJIK-UHFFFAOYSA-N 393.472 3.744 0 40 GHAB Cc1cc(C(=O)O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)on1 17992579 VQIFBKIOIJTNNK-QGZVFWFLSA-N 378.428 3.757 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)N2CCCCCC2)cc1 8428431 NSRSQZCVLLACCY-UHFFFAOYSA-N 382.460 3.729 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@@H]2c2ccc(OC)cc2)cc1 5155435 KGUYFZZAPMUITG-FQEVSTJZSA-N 391.427 3.653 0 40 GHAB COc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 4385265 VIQCKTGEHGXFNG-NSHDSACASA-N 379.243 3.994 0 40 GHAB CCCCc1ccc(N2C[C@@H](C(=O)NCCCc3nccs3)CC2=O)cc1 65551844 SUOIQYMHNHCKHB-KRWDZBQOSA-N 385.533 3.588 0 40 GHAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 14171454 QVISFAIQWIHOGB-OAHLLOKOSA-N 387.819 3.817 0 40 GHAB O=C1CSc2ccc(C(=O)NCc3ccc(CN4CCCCC4)cc3)cc2N1 14248348 PJATWXJZZMQNHC-UHFFFAOYSA-N 395.528 3.647 0 40 GHAB COc1cccc([C@H]2N=C(Nc3cccc(C)c3C)Nc3nc(C)cc(=O)n32)c1 4748836 NFDFVMAIIHXANY-FQEVSTJZSA-N 389.459 3.618 0 40 GHAB Cc1nc(COc2ccc(/C=C/C(=O)Nc3ccc(C(N)=O)cc3)cc2)cs1 8761852 WEARWTLFVTVCFP-NYYWCZLTSA-N 393.468 3.781 0 40 GHAB CCC1CCC(C(=O)N[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C(C)C)CC1 4827215 RPINRGYSPUMLNU-ALLBUHFWSA-N 388.508 3.754 0 40 GHAB aggregator Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1Cl 15415087 JFFVIQJFHPICHB-UHFFFAOYSA-N 380.897 3.930 0 40 GHAB Cc1nc(-c2ccccc2NC(=O)c2cccn(Cc3ccccc3)c2=O)no1 68180958 YLCMEAZNDUZTMP-UHFFFAOYSA-N 386.411 3.507 0 40 GHAB CCOc1ccc2nc(NC(=N)NC(=O)Cc3ccc(Cl)cc3)nc(C)c2c1 9087221 DAGINQHQKPNQIM-UHFFFAOYSA-N 397.866 3.696 0 40 GHAB O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(C(=O)NC2CC2)c1 8074033 FVKYSODGPZJZGL-UHFFFAOYSA-N 383.498 3.945 0 40 GHAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 72067205 FEHYFWKMQZIASV-GFCCVEGCSA-N 376.400 3.954 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113950426 NTCUPOQSPGPBII-QFIPXVFZSA-N 381.520 3.851 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)Nc3cccc(N4CCCC4=O)c3)c2O1 9512510 BMTGGJYZMYQFQB-UHFFFAOYSA-N 380.444 3.544 0 40 GHAB CCCn1nnnc1CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9531375 YGTWSCXIOKLWBD-UHFFFAOYSA-N 389.488 3.894 0 40 GHAB COC(=O)C[C@@H](NC(=O)CNc1ccccc1Cl)c1ccccc1Cl 83884627 NGPFZAWWDJTIES-MRXNPFEDSA-N 381.259 3.826 0 40 GHAB Cc1ccc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)[nH]1 71940817 HKLFJWRWOOOCNE-UHFFFAOYSA-N 398.466 3.808 0 40 GHAB CCN(C)Cc1cccc(CNC(=O)CNc2ccc(Br)cc2)c1 72289274 JFWMMDUBCGGFRM-UHFFFAOYSA-N 390.325 3.629 0 40 GHAB C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)O)cc2)c1 72271989 AVVYJVUEMOHVOD-UHFFFAOYSA-N 391.448 3.762 0 40 GHAB NC(=O)c1ccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)cc1 24837593 RPJLREMRDHTJCX-UHFFFAOYSA-N 387.277 3.999 0 40 GHAB CCOC(=O)C1(N(C)Cc2ccc(OCc3nccn3C)cc2)CCCCC1 84791221 SUAHXHVKKQJBSH-UHFFFAOYSA-N 385.508 3.697 0 40 GHAB Cc1ccc(CSCC(=O)N2CCC(CCCN3CCOCC3)CC2)cc1 95468528 PBANJCQMWGCAIP-UHFFFAOYSA-N 390.593 3.579 0 40 GHAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(C(C)(C)C(=O)O)cc3)cc2NC1=O 95970785 XUSUPNIEENXOQK-LLVKDONJSA-N 384.457 3.734 0 40 GHAB O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc(Cl)cc1Cl 28283944 LGHGNUSKGJKEBS-QWHCGFSZSA-N 387.288 3.730 0 40 GHAB CCCCOc1cccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 27747714 ZIJLUHWBCKAKKK-LJQANCHMSA-N 388.533 3.730 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)C1CCCCC1 56945788 WGWKHZIMSMZFPZ-OAQYLSRUSA-N 399.510 3.979 0 40 GHAB CCc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408555272 WHQWMSYRJFZECP-HNNXBMFYSA-N 382.485 3.708 0 40 GHAB O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1cccc(C(F)(F)F)c1 31722539 NBPJXTKDQJJKLP-UHFFFAOYSA-N 381.379 3.751 0 40 GHAB COc1ccc(NC(=O)/N=c2\[nH]c3ccccc3n2CCN2CCCCC2)cc1 32502524 ZWWRCSBSDIQHOU-UHFFFAOYSA-N 393.491 3.597 0 40 GHAB Cc1cc(C)n(CCNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)n1 36617392 AUHHSONSOWARBH-UHFFFAOYSA-N 393.422 3.581 0 40 GHAB O=C(CN1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCCCC1 72358522 ORRLRJCKHVZSJB-SFHVURJKSA-N 398.938 3.989 0 40 GHAB CCCCNC(=O)c1ccccc1OCc1nc(-c2ccc(OC)cc2)no1 33012993 SVCWAMWRIMLSDE-UHFFFAOYSA-N 381.432 3.854 0 40 GHAB CCc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 36623458 IOWGSXNUCRDMCO-INIZCTEOSA-N 386.517 3.525 0 40 GHAB CN1CCC(CNC(=O)NCc2cccc3cc[nH]c23)(c2ccccc2)CC1 1564567651 BHRCTTCPBJBXIH-UHFFFAOYSA-N 376.504 3.631 0 40 GHAB CCCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(NC(C)=O)cc2)C1 72361909 VRUDITIHBIIRIH-MRXNPFEDSA-N 382.464 3.733 0 40 GHAB Cc1ccc2[nH]c(CSc3nnc(NC(=O)c4ccco4)s3)cc(=O)c2c1 33063898 JNJSZENUHNPALF-UHFFFAOYSA-N 398.469 3.826 0 40 GHAB CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cccc(C)c2C)c1C 71327003 USJFLKKKIWZFAC-UHFFFAOYSA-N 391.475 3.657 0 40 GHAB O=C(OCc1cc(-c2cccs2)on1)c1ccccc1S(=O)(=O)C(F)F 36662615 OGQGXJXPTCNIJW-UHFFFAOYSA-N 399.396 3.756 0 40 GHAB Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3cnn(C)c3C)CC2)cc1 72362622 OGMYQHGNEHUMRY-UHFFFAOYSA-N 391.475 3.639 0 40 GHAB Cc1ccccc1CN(C)C(=O)c1cn(-c2ccccc2Br)nn1 40073609 AECCOIIPTWMFSX-UHFFFAOYSA-N 385.265 3.610 0 40 GHAB Cc1ccc(S(=O)(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1 222984965 NCBDZBRCKNAEMU-UHFFFAOYSA-N 389.908 3.977 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1C 222591349 IBXSVSWUDRJYEB-QGZVFWFLSA-N 386.517 3.724 0 40 GHAB COC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223416133 XOEGETIZXPPUDB-UHFFFAOYSA-N 394.880 3.528 0 40 GHAB Cc1cccc(-c2nnc3sc(NC(=O)COc4cccc(C)c4C)nn23)c1 41076445 PVPCOBWQICSVGL-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB COc1ccccc1OCCCOc1cccc(/C=C2/SC(=N)NC2=O)c1 41077989 VOGPLTLRTNLGBG-QGOAFFKASA-N 384.457 3.682 0 40 GHAB CCC[C@@H](C)NC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccccc2)cc1 224448816 QUDJILZCAUTDOX-QGZVFWFLSA-N 388.533 3.816 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)cc1C(C)C 223600717 XJUDUAMBOOREJL-MRXNPFEDSA-N 382.570 3.527 0 40 GHAB Cc1nc(COC(C)(C)C)oc1C(=O)N[C@H](C)c1ccc(Br)cn1 575874516 ARNYXRDTHVUJJC-SNVBAGLBSA-N 396.285 3.947 0 40 GHAB CC(C)(CNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)c1cccnc1 576958871 XUOYKPKLDQYTMQ-NJDAHSKKSA-N 379.504 3.573 0 40 GHAB COc1ccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 244251323 WHFXRRKIEKCEDI-UHFFFAOYSA-N 386.757 3.622 0 40 GHAB Cc1cncc([C@H]2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)C2)n1 257243160 IFRHRCCFFNLAFJ-KRWDZBQOSA-N 399.922 3.893 0 40 GHAB O=C(O)[C@@H]1CCN(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)C1 262994067 DXQIRDBZVXMLKL-SNVBAGLBSA-N 385.367 3.767 0 40 GHAB COCC[S@@](=O)Cc1cccc(NC(=O)c2ccc(F)c3cccnc23)c1 1265219860 IOAZYLNAXFXWSK-HHHXNRCGSA-N 386.448 3.521 0 40 GHAB CC(C)Cn1nc(C(=O)NC[C@@H]2CCc3ccccc3C2)c2ccccc2c1=O 604953811 GDIPKCCTIUDDRO-QGZVFWFLSA-N 389.499 3.587 0 40 GHAB CC(C)c1ccc(N(C(=O)[C@@H](C)Oc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 5081087 FOEMJUWCYGOTSH-XLIONFOSSA-N 399.512 3.921 0 40 GHAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3ccccc3Br)n2)cc1 5451501 XFWVCZOOCXYCIC-UHFFFAOYSA-N 384.233 3.556 0 40 GHAB COc1ccc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 5439303 WKMYJOAAIURFFR-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB COc1cc(O)ccc1/C=C(\C#N)c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 11291806 ZKJZMGJEFSNQBC-ZWSXMNCCSA-N 393.468 3.888 0 40 GHAB COc1ccc(NC(=O)CS[C@@H]2CCc3ccccc3N=C2O)cc1OC 11865826 BSPGTVTZRRVBGZ-GOSISDBHSA-N 386.473 3.979 0 40 GHAB Cn1nc(C(F)(F)F)cc1[C@@H]1CCCCCN1C(=O)c1c(Cl)cnn1C 12119646 GNONYNAXLGKILL-NSHDSACASA-N 389.809 3.583 0 40 GHAB Cn1cc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cn1 12186587 HLNZLVCMBPJTTH-SFHVURJKSA-N 380.448 3.921 0 40 GHAB COc1ccc(CN2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)cc1 12328587 KEEXBOZJTMWZRK-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB O=C1C[C@H](c2ccccc2)Cc2c1cnc1[nH]n(-c3nc4ccccc4o3)c(=O)c21 13639629 AYPVPVNRGVGDHO-CQSZACIVSA-N 396.406 3.768 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(C)c2c1C(=O)C[C@@H]2C 14373805 PYDKYGZTQWACHC-ZDUSSCGKSA-N 396.443 3.669 0 40 GHAB Cc1ccc(C)c(N(CCCC(=O)NC2CCCCCC2)S(C)(=O)=O)c1 14400685 GCZAPSCJIUNKEF-UHFFFAOYSA-N 380.554 3.689 0 40 GHAB COc1ccc(CNC(=O)[C@H](OC(=O)c2ccco2)c2ccccc2F)cc1 15935696 BTBWIYZMDVACGA-LJQANCHMSA-N 383.375 3.642 0 40 GHAB Cc1cc(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)c(C)[nH]1 19566828 IDGRUYAUASLFNX-UHFFFAOYSA-N 381.505 3.873 0 40 GHAB CN1CC2(CCC(C(=O)NCc3ccc(F)cc3)CC2)Oc2ccccc2C1=O 19587837 XTTYPIAIHXDNDS-UHFFFAOYSA-N 396.462 3.536 0 40 GHAB COc1nc2ccccc2nc1CCC(=O)N1CCc2[nH]c3ccccc3c2C1 19657124 UXHNQKGDDUPONV-UHFFFAOYSA-N 386.455 3.637 0 40 GHAB COc1ccc(NC(=O)CCNC(=O)C(c2ccccc2)c2ccccc2)cc1 150292321 DNYLSTPNZOVIFR-UHFFFAOYSA-N 388.467 3.972 0 40 GHAB O=C(NC1CCCCC1)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156614 HUFIGLSOHKASDP-LJQANCHMSA-N 388.483 3.955 0 40 GHAB O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 31960268 LEIHAEMLGJFCDK-UHFFFAOYSA-N 377.437 3.560 0 40 GHAB O=C1CC2(CCN(Cc3c(F)cccc3Cl)CC2)Nc2ccccc2CN1 2037980892 LZMRJPHNHILTCK-UHFFFAOYSA-N 387.886 3.946 0 40 GHAB Cc1cc2cc(CNC(=O)N[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)ccc2[nH]1 4374389 GKGLNEHGIRENAS-QGZVFWFLSA-N 396.878 3.734 0 40 GHAB COc1ccc(C(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)cc1OC 5083592 QHVCLZIPCXVMRN-UHFFFAOYSA-N 381.457 3.925 0 40 GHAB O=S(=O)(NCCc1csc(-c2cccc(F)c2)n1)c1cccc(F)c1 5137707 JCHLYQVPJBDGQH-UHFFFAOYSA-N 380.441 3.609 0 40 GHAB Cc1ccc(-n2ccnc2N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 12444679 FLDUIKIWSBKXNZ-UHFFFAOYSA-N 398.869 3.936 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3cccc(F)c3)ccc21 35588140 XVXRJWWBMTXZCB-UHFFFAOYSA-N 376.497 3.509 0 40 GHAB COCCn1c(-c2nc(C(=O)NCc3cccnc3)cs2)cc2ccccc21 38911371 LRMHGRJIHSNDAX-UHFFFAOYSA-N 392.484 3.736 0 40 GHAB Cc1cc(C)n([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)c2cccs2)n1 575611802 XJBBHONGTKDTSC-MRXNPFEDSA-N 393.468 3.687 0 40 GHAB COC(=O)c1ccc(CSc2ccc3nnc(-c4ccc(C)cc4)n3n2)o1 4164844 TWKRVHOFDFFFPZ-UHFFFAOYSA-N 380.429 3.772 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)cc1C 6846248 INURPXSSHDYHKA-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc2c1O[C@@H](C)[C@H]2C 40009578 LKOAPALNYSFBNE-NEPJUHHUSA-N 385.416 3.627 0 40 GHAB CN(C)c1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc1 100288132 FAVBIHWNOYLCDG-LDSOLPTJSA-N 399.926 3.932 0 40 GHAB C[C@@H](c1nc(C(C)(C)C)no1)N(C)CC(=O)Nc1ccccc1Br 31238931 QJPXPLDSQOAQQD-NSHDSACASA-N 395.301 3.761 0 40 GHAB Cc1cc(Cl)ccc1OCc1ccc(-c2nc3c4cn[nH]c4ncn3n2)o1 17077866 HYCLCYFUTXAASJ-UHFFFAOYSA-N 380.795 3.801 0 40 GHAB CCOc1cc(CO)cc(Br)c1OCc1ccc(C(=O)O)cc1 982649 IVQNZRSYVDQQKS-UHFFFAOYSA-N 381.222 3.617 0 40 GHAB Cc1ccc([C@@H]2[C@H]3C(=O)N(C(C)C)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 101268068 YZTAPIFIOPKYTP-GUDVDZBRSA-N 384.863 3.903 0 40 GHAB C[C@H]1CCCCN1C(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 3481943 SPERYAGBPSLMRY-CVEARBPZSA-N 380.488 3.917 0 40 GHAB COc1ccc(F)cc1C(=O)COC(=O)c1cc(Cl)c(OC)c(OC)c1 4799583 XINFHJJBKLSFGA-UHFFFAOYSA-N 382.771 3.545 0 40 GHAB CSc1cccc(N2C[C@H](C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)CC2=O)c1 32738355 KLEXKYMVUQAWCY-UONOGXRCSA-N 394.500 3.515 0 40 GHAB COP(=O)(OC)[C@](NC(=O)C(F)(F)F)(c1ccccc1)C(F)(F)F 6385504 VAPHZVWKFRQWHC-SNVBAGLBSA-N 379.193 3.566 0 40 GHAB COc1ccc(N(CC(=O)c2ccc(OC)c(OC)c2)C2=NCCCC2)cc1 7275491 OEJAQUYLNNLHNQ-UHFFFAOYSA-N 382.460 3.984 0 40 GHAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)cc1Cl 8037019 BJIZBRMCTYNDDL-UHFFFAOYSA-N 396.274 3.511 0 40 GHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 102413046 AFBVUYYVLLQLQW-COPLHBTASA-N 386.348 3.927 0 40 GHAB COc1ccccc1NC(=O)Cc1noc(CN2CCC[C@@H]2c2ccsc2)n1 46088142 JGVSNPMZHIQGLN-MRXNPFEDSA-N 398.488 3.658 0 40 GHAB CC(C)CCNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10434127 BQMWYKWKSGHEJQ-UHFFFAOYSA-N 392.496 3.568 0 40 GHAB O=S(=O)(Nc1ccc2c(c1)OCCCO2)c1ccc(OC(F)(F)F)cc1 8720261 OJSGNDDTFBZCIY-UHFFFAOYSA-N 389.351 3.547 0 40 GHAB CCN1CCC[C@H]1CN[C@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 22780413 NZUXQGPYVILEFM-VXKWHMMOSA-N 379.504 3.643 0 40 GHAB CCCN1C(=O)COc2ccc(-c3csc(NC(=O)c4cccnc4)n3)cc21 11969126 USAVOUUMUJZOST-UHFFFAOYSA-N 394.456 3.593 0 40 GHAB Cc1nc(-c2cccc(NC(=O)Cn3cnc4sccc4c3=O)c2)cs1 23064903 YKHOKPQSUIRDEJ-UHFFFAOYSA-N 382.470 3.529 0 40 GHAB O=C1OC(c2cccc(I)c2)=N/C1=C/c1cccc(F)c1 993550 HQECWXCHEHYWCD-RIYZIHGNSA-N 393.155 3.775 0 40 GHAB O=C(Nc1cccc(C(=O)c2ccccc2)c1)NC1CCC2(CC1)OCCO2 105053957 MNPYNNARUMAVGQ-UHFFFAOYSA-N 380.444 3.725 0 40 GHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C1=Cc2ccccc2O[C@H]1C 24334630 FTCWLQCZTIZUKV-HNNXBMFYSA-N 397.471 3.745 0 40 GHAB Cc1ccc(CN(C)C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)o1 24396674 MUTTZKITWVPHSC-UHFFFAOYSA-N 388.423 3.969 0 40 GHAB Cc1cc(C)cc(Nc2nnc(SCc3ccco3)n(-n3cccc3)c2=O)c1 28536221 YCWNGBDHDKOOCO-UHFFFAOYSA-N 393.472 3.997 0 40 GHAB CCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccccc1 2763452 ZYARLTDMBKGNRL-UHFFFAOYSA-N 378.222 3.678 0 40 GHAB COc1ccc(-c2nsc(NC(=O)c3cc4ccccc4oc3=O)n2)cc1 12111375 GKHLDYVYUSOBOY-UHFFFAOYSA-N 379.397 3.572 0 40 GHAB COc1ccc(CN2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc1 55393760 NALRCFPSHGCVPH-UHFFFAOYSA-N 377.440 3.951 0 40 GHAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1c[nH]nc1-c1ccc(F)cc1 25384068 AOQQYFRHPOROJW-KRWDZBQOSA-N 384.480 3.844 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)NCc2ccnc(N3CCCC3)c2)cc1 61331902 LOZJSWLGOHNMLM-UHFFFAOYSA-N 382.464 3.570 0 40 GHAB CCn1ncc(NCCNc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1=O 20219175 KFQLOFOCUWIDNW-UHFFFAOYSA-N 396.200 3.508 0 40 GHAB Cc1cc(C)cc(OC[C@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 22030575 OTGXRIJDGQDCJI-OAQYLSRUSA-N 388.939 3.514 0 40 GHAB CN(CCO)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)nc1 58145263 PHHGVAULOFMQRB-OAQYLSRUSA-N 393.512 3.982 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 58163618 SJLRYZRHKOAGNP-UHFFFAOYSA-N 395.492 3.612 0 40 GHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1nc(-c2cccnc2)cs1 12515792 HNZUMQZGZXUVQW-UHFFFAOYSA-N 383.458 3.888 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1C 22340937 MLCOPKINAIFFSP-SFHVURJKSA-N 388.533 3.564 0 40 GHAB Cc1nc(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)sc1CC(N)=O 58379179 CVKUBIKBRZKTQG-UZNLNLPZSA-N 378.563 3.745 0 40 GHAB S=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CCOc2ccccc21 58377613 BJLKBJDOURUUSU-HXUWFJFHSA-N 381.545 3.639 0 40 GHAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2Cc2ccccc2)CN1c1cc(F)cc(F)c1 58430330 OOHPZAQRZKEJPL-VQIMIIECSA-N 384.426 3.551 0 40 GHAB Cc1sc2ncnc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)c2c1C 10814586 SAJZASQXTSQXJB-UHFFFAOYSA-N 392.594 3.826 0 40 GHAB CCOc1cc2c(cc1N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)O[C@H](C)C2 11037800 ITBZCWQEWMUTLF-LRTDBIEQSA-N 384.451 3.980 0 40 GHAB COc1cccc(NC(=O)c2nnc3c(-c4ccc(F)cc4)c(C)nn3c2C)c1 12652966 MDGQOZCUANLZPG-UHFFFAOYSA-N 391.406 3.808 0 40 GHAB Cc1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1F 12775719 SGFYKLIOYRKMAD-UHFFFAOYSA-N 399.491 3.560 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408649906 LTSXCSVTDFHRQK-ZBFHGGJFSA-N 385.847 3.816 0 40 GHAB O=S(=O)(c1ccc(Br)cc1)N(Cc1ccccc1F)C1CC1 12887322 UBEREGABUCBAIL-UHFFFAOYSA-N 384.270 3.942 0 40 GHAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nc(-c3ccc(Cl)cc3)cs1)CS2 3448954 PWXXXHROFLPDSS-GUYCJALGSA-N 393.921 3.856 0 40 GHAB C[C@@H](NC(=O)NCc1ccc(C(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1 48468232 PSYGIGSALFVHNP-CYBMUJFWSA-N 393.409 3.968 0 40 GHAB CC[C@@]1(c2ccccc2)NC(=O)N(CN2CC=C(c3ccccc3)CC2)C1=O 13098015 FZCKJERWTPMAHW-QHCPKHFHSA-N 375.472 3.591 0 40 GHAB COc1ccnc(N2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 69818532 WYIHNECPPGTKJE-HXUWFJFHSA-N 394.519 3.787 0 40 GHAB Cc1cc(C)cc(N(CC(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 22329101 QMOWOXVARHSIBF-GOSISDBHSA-N 388.533 3.564 0 40 GHAB O=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2cccs2)CC1 18119372 KBQPUIWDHLHNKG-UHFFFAOYSA-N 386.561 3.933 0 40 GHAB O=C1Nc2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)c3cccc1c23 4129045 KBXCTLNYNBLZDT-UHFFFAOYSA-N 386.860 3.580 0 40 GHAB CCOc1cccc2c1OCC(=O)N(c1ccc(Br)cc1F)C2 65184580 CDMOAYHAAZXKOQ-UHFFFAOYSA-N 380.213 3.913 0 40 GHAB O=C(O)c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)c(F)cc1F 65585838 UBJNTMISDPDNNT-UHFFFAOYSA-N 388.200 3.832 0 40 GHAB CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccccc1 5311697 OCGDMNBSDPWGAT-UHFFFAOYSA-N 381.457 3.711 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1Cc1ccccc1 14128690 NRAVWXWEQGTWGT-PMACEKPBSA-N 388.467 3.557 0 40 GHAB CCN(CC)[C@@H](CNc1nn2c(=O)cc(C)nc2s1)c1ccccc1Cl 14246802 OKFLFJKUQWFQCX-HNNXBMFYSA-N 391.928 3.608 0 40 GHAB CCN(CC)C(=O)[C@]12C(=O)Oc3ccccc3[C@H]1[C@@]2(C)C(=O)c1ccc(F)cc1 4698330 YBDFCCFZATYMIZ-TZYHBYERSA-N 395.430 3.586 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2c(OC)ccc3ccccc23)C1=O 409011076 LXNJAMDZKALQEE-UEMWTREESA-N 385.441 3.836 0 40 GHAB O=C(Nc1nnc(COc2ccc(Br)cc2)s1)c1ccco1 5561076 BYRNDJHNHSHWDK-UHFFFAOYSA-N 380.223 3.725 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccc3ccccc3c2)ccc1N1CCOCC1 4711483 CCAJFWBWEMRFGI-UHFFFAOYSA-N 390.439 3.715 0 40 GHAB COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1NCc1ccc(C)cc1 4816457 QSJPBDAIVUFUNZ-UHFFFAOYSA-N 399.454 3.958 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccccc1F)S2 6811855 OEPQNAWCUVVNEX-ROUUACIJSA-N 397.479 3.686 0 40 GHAB Cc1cc(C(=O)COC(=O)[C@@H](O)c2ccccc2)c(C)n1Cc1ccc(F)cc1 5873707 QBYVJTZRPQIWDA-QFIPXVFZSA-N 395.430 3.752 0 40 GHAB COc1ccc(CN2C(=O)[C@](O)(CC(C)=O)c3c(Cl)ccc(Cl)c32)cc1 4988094 DRANPXXPMMROKS-IBGZPJMESA-N 394.254 3.716 0 40 GHAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(C)c3)c2C)c1 67322203 ZKCHDAFRYODMFR-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc(OC)c1O 7113307 CLLWIYYHIBASEF-MRXNPFEDSA-N 382.338 3.538 0 40 GHAB O=C1O[C@@H](C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)Cc2ccccc21 7471642 KAWPGHOFBLIUNY-MRXNPFEDSA-N 386.379 3.809 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCc2cc3cccc(C)c3nc21 15842083 WJSZIPVACSDWKR-UHFFFAOYSA-N 382.485 3.920 0 40 GHAB CCn1c(SCC(=O)N(C)Cc2nc3ccccc3s2)nnc1C1CC1 7533909 OAMKKVXTAKOOSW-UHFFFAOYSA-N 387.534 3.536 0 40 GHAB C[C@@H](NC(=O)Cn1cnc2ccc(Cl)cc2c1=O)c1ccc2c(c1)CCCC2 7931841 UVWOORAUKPBGQH-CQSZACIVSA-N 395.890 3.806 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1N1CCCC1=O 8157145 GIOZODTURMHBAS-NRFANRHFSA-N 389.455 3.716 0 40 GHAB Cc1nn(C)c(C)c1CCNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 84012198 RBXYKCFWNCQYPH-UHFFFAOYSA-N 397.500 3.509 0 40 GHAB O=C(Cn1ccc(=O)c2ccccc21)N(Cc1ccccn1)c1ccc(F)cc1 89866507 ZVWILSDNWDORQZ-UHFFFAOYSA-N 387.414 3.769 0 40 GHAB Cc1ccc2nc(COC(=O)c3cccnc3Oc3ccccc3)cc(=O)n2c1 22180691 YCWGTKGTGHNYEP-UHFFFAOYSA-N 387.395 3.547 0 40 GHAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1Cl 78747842 MCBRKXVHBFHHHU-UHFFFAOYSA-N 397.733 3.997 0 40 GHAB CN(Cc1nc(C(F)(F)F)no1)C(=O)c1cc(Cl)c2ccccc2c1O 89364881 CVYAVWRMFVQWIU-UHFFFAOYSA-N 385.729 3.873 0 40 GHAB Cc1cc(C)c([C@H]2Nc3ccccc3C(=O)N2CCCN2CCOCC2)cc1C 24925998 ZVUHRGSCHAWQAA-QHCPKHFHSA-N 393.531 3.901 0 40 GHAB Cc1ccc(-n2nc(C)c(NC(=O)CN(C)c3ccc(N(C)C)cc3)c2C)cc1 89642659 UPSPBTBFHYEFCI-UHFFFAOYSA-N 391.519 3.938 0 40 GHAB COc1ccc(CN2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 28404939 KRWSSFDOGLTEBU-ZDUSSCGKSA-N 393.270 3.989 0 40 GHAB Cn1ccc2c1CN(C(=O)CC1CCCC1)Cc1cn(Cc3cccnc3)nc1-2 306124737 BXYXFFDHLBJHGW-UHFFFAOYSA-N 389.503 3.754 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(N(C)C)c2)cc1 23221139 PEJMTALCDMWHEX-HNNXBMFYSA-N 382.460 3.919 0 40 GHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 409191442 HOVZCZHLULHGPS-OVCLIPMQSA-N 390.798 3.589 0 40 GHAB CC[C@H]1CCCCN1C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[C@H](C)CC 67238784 SVJZXVHSIZVHLH-CABCVRRESA-N 390.553 3.887 0 40 GHAB COc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OCc1c(C)cc(C)cc1C 408987287 VYZAGEXWAULQMD-FXAWDEMLSA-N 387.501 3.988 0 40 GHAB O=C(CSc1nnc(/C=C/c2ccccc2)c(O)n1)Nc1cccc(F)c1 27300719 CQGDKQCTUBUATK-MDZDMXLPSA-N 382.420 3.618 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)N(C)C3CCCCC3)C(=O)[C@@H]2C1 408675901 CENLOLOOTIPFRF-PKOBYXMFSA-N 380.488 3.937 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2cccc(N3CCCC3=O)c2)c1 32312979 GVDOGJPXVAFKGH-UHFFFAOYSA-N 380.488 3.940 0 40 GHAB C[C@H]1CN(C(=O)c2cccnc2Oc2ccc(Br)cc2)C[C@H](C)O1 31807896 XUWKPGLDDIZZFS-STQMWFEESA-N 391.265 3.886 0 40 GHAB Cc1cc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(C)s1 32550735 WRFMHIMUHGIUOU-HNNXBMFYSA-N 379.503 3.662 0 40 GHAB Cc1cccn2cc(CC(=O)N3CCC[C@@H](c4nc5c(s4)CCCC5)C3)nc12 532874225 BDDLRTBDQVQAPN-MRXNPFEDSA-N 394.544 3.927 0 40 GHAB COC(=O)c1ccccc1NC(=O)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 35684649 BAFZLAWGSNBCSI-KRWDZBQOSA-N 390.399 3.508 0 40 GHAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccc2c(c1)CCCC2 70636141 OMHVPXJNAJQVQX-QFIPXVFZSA-N 381.497 3.731 0 40 GHAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN3CC(=O)Nc3ccccc3F)ccc12 72374510 XQHNZFHEDSHNDO-GOSISDBHSA-N 396.470 3.693 0 40 GHAB CC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220528706 YPNWYQYVRLMKNE-IBGZPJMESA-N 388.533 3.507 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223870808 QNGGAXBRFAFGPG-LPHOPBHVSA-N 389.517 3.742 0 40 GHAB CCc1cc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)ccc1OC 222805839 RDICPRZQWUYLRG-UHFFFAOYSA-N 389.502 3.885 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1 224853432 GLFIVECTFXYAEU-UHFFFAOYSA-N 391.471 3.632 0 40 GHAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 48620554 PFEHRYLWNZFVEQ-UHFFFAOYSA-N 390.439 3.785 0 40 GHAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 220273048 RDIPHRHOKAPXDM-LBPRGKRZSA-N 398.887 3.835 0 40 GHAB Cc1cc(F)ccc1NC(=O)C[C@H](NC(N)=O)c1ccc(Br)cc1 40069360 UGCDJTVCRZGQAM-HNNXBMFYSA-N 394.244 3.635 0 40 GHAB CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 222763585 NEUZPCDOLJLIBL-HXUWFJFHSA-N 396.531 3.578 0 40 GHAB COc1ccc(OC)c(NC(=O)CCc2nc(-c3ccccc3Cl)no2)c1 225811007 BBCKFCCGGXJFGO-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB O=C(O)C[C@@H]1CCN(C(=O)Nc2ccccc2)C[C@@H]1Cc1nc2ccccc2[nH]1 514289895 PRHQZLZZQDFPEX-HOTGVXAUSA-N 392.459 3.750 0 40 GHAB biogenic,in-vitro COc1ccc(Br)cc1S(=O)(=O)NC(C)(C)Cc1ccccc1 144417706 QLSKZQCIAFMERG-UHFFFAOYSA-N 398.322 3.757 0 40 GHAB CC(C)c1ccc(OCCc2cc([C@H]3CN(c4ncccn4)CCO3)n[nH]2)cc1 257242848 IELIBEWQBOFNJB-OAQYLSRUSA-N 393.491 3.523 0 40 GHAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccnc(Cc2ccccc2F)c1 257301990 SAXGLCLJMDLGQA-GMAHTHKFSA-N 381.495 3.900 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257234950 GVTLBNJSADTXCJ-MRXNPFEDSA-N 395.434 3.828 0 40 GHAB CC1(C)CC(O)CC(C)(C)N1C[C@@H](O)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531662 LVHVVULBVCVEDK-GNVZTASGSA-N 381.601 3.983 0 40 GHAB CCCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccccn4)o3)CC2)no1 257298316 RLEIJBGMRQUAQX-SHTZXODSSA-N 395.463 3.776 0 40 GHAB O=C1C[C@@H](C(=O)N2Cc3ccccc3-c3ccccc32)CN1Cc1ccccn1 614705071 CVAAJWSVPVBDQT-GOSISDBHSA-N 383.451 3.644 0 40 GHAB Cc1cc(=NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)c2ccccc2[nH]1 642293061 MQOKFXUHTYUYBN-UHFFFAOYSA-N 397.360 3.817 0 40 GHAB O=C(Cc1sccc1Br)NC[C@@H](CO)c1ccc(Cl)cc1 650344408 LXOFLYBSVQHAPS-NSHDSACASA-N 388.714 3.599 0 40 GHAB CN[C@H](C(=O)N1CCC(C2CCOCC2)CC1)c1cccc(Cl)c1Cl 662820236 PNOHVWRQMWXDQB-SFHVURJKSA-N 385.335 3.919 0 40 GHAB CN1CCC[C@H](CNC(=O)Cc2cscn2)[C@@H]1c1ccc(C(F)(F)F)cc1 668877650 STBKYAPYOCLMBM-KDOFPFPSSA-N 397.466 3.904 0 40 GHAB O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc2c(c1)nc(O)n2C1CC1 1616043611 KWUFQRWTTGBKOW-WIYYLYMNSA-N 391.471 3.945 0 40 GHAB COc1ccc(/C=C/C(=O)NCC[C@H](O)c2cc3ccccc3o2)cc1OC 96097257 CTJGAVOGYGELRP-VMSUTVGLSA-N 381.428 3.703 0 40 GHAB CCOc1ccc(C(=O)N2CCc3ncc(-c4ccc(OC)cc4)n3CC2)cc1 585111547 VGJVPCKLGOOQEE-UHFFFAOYSA-N 391.471 3.656 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN1CCN(c2cccc(Cl)c2)C1=O 49381986 WQYGQYLBUBPANM-UHFFFAOYSA-N 394.258 3.883 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)c2ccc(C)s2)cc1 52773082 UWCSHBGNTNSDKW-SFHVURJKSA-N 386.517 3.939 0 40 GHAB O=C(Nc1cccc2ccccc12)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5560354 IKKIIMSVXUFGPW-MRXNPFEDSA-N 388.423 3.603 0 40 GHAB CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cc(OC)cc(OC)c1 13479876 TVOUHHKWMCJQBO-UHFFFAOYSA-N 380.444 3.516 0 40 GHAB COC(=O)c1ccc(OC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(OC)c1 14726866 YAWWTRHWRHMLGK-UHFFFAOYSA-N 380.400 3.504 0 40 GHAB CCOC(=O)c1cnc(SCc2csc(-c3ccc(F)cc3)n2)nc1N 15279010 JXVQTIRIJUWEJT-UHFFFAOYSA-N 390.465 3.790 0 40 GHAB O=C1/C(=C/c2ccccc2OCc2ccccc2)NC(=S)N1C[C@@H]1CCCO1 15281542 YLSOFSLKBNJXID-UZNZLNSGSA-N 394.496 3.502 0 40 GHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(c2ccccc2)CC1 15345512 ZIVXVPGWJKHHIN-OAHLLOKOSA-N 389.293 3.565 0 40 GHAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCN(c2ncccn2)CC1 17339421 JZAKINUJUKDESR-UHFFFAOYSA-N 399.907 3.524 0 40 GHAB CSCC[C@H](NC(=O)OC(C)(C)C)c1cc(O)nc(-c2cccnc2)n1 19083241 MLOGUWSMQOLGMU-ZDUSSCGKSA-N 376.482 3.563 0 40 GHAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)c3snnc3C)C2)n1 19117756 DTTLZUPARYGFHB-ZDUSSCGKSA-N 385.518 3.693 0 40 GHAB O=C1N[C@@]2(COC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)Nc2ccccc21 19374621 XEMDNJYTPCRCCG-QFIPXVFZSA-N 397.906 3.647 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)c2ccccc2Cn2ccnc2)c(OC)c1 19552134 MCOLJFAVJGXDSR-OAQYLSRUSA-N 391.471 3.926 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cccnc2)C1 19591625 YMQRWJLIZLCFSH-VWLOTQADSA-N 399.494 3.570 0 40 GHAB Cc1noc(CCC(=O)N2CCC[C@H]2c2ccc(Cc3ccccc3)cn2)n1 19688459 HVDLWHLMKXVHHT-FQEVSTJZSA-N 376.460 3.660 0 40 GHAB CCOc1ccc(NC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 206789980 BAKRBSXOFOFJGB-OAHLLOKOSA-N 394.397 3.900 0 40 GHAB O=C(CCc1cccc(Cl)c1)NC1CCN(c2cc3c(nn2)CCCC3)CC1 238844352 IBLJAWIKSOPIOR-UHFFFAOYSA-N 398.938 3.727 0 40 GHAB COc1ccc(-c2nc(O)cc(C3CCN(Cc4ccncc4)CC3)n2)cc1 12222625 AFPUZVCYHPUYNR-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 15328755 LJSWNDOPTKKCAT-UHFFFAOYSA-N 388.272 3.601 0 40 GHAB COc1ccc(CC(=O)Nc2c3c(nn2-c2ccc(OC)cc2)CSC3)cc1 4077305 WBIATOCUWZVDAE-UHFFFAOYSA-N 395.484 3.818 0 40 GHAB C[C@@H]1Cc2nc(SCC(=O)Nc3cccc4ccccc34)n(C)c(=O)c2S1 4107774 YNSZYXRESNPLQQ-GFCCVEGCSA-N 397.525 3.701 0 40 GHAB Cc1ccc(-c2nc3scc(CCNC(=O)Cc4cccc(C)c4)n3n2)cc1 4374791 RMQFJYLCXUWLFM-UHFFFAOYSA-N 390.512 3.976 0 40 GHAB COc1ccccc1NC(=O)Nc1nc(CC(=O)NC2CCCCC2)cs1 15880737 PTRXRBWVEZYFCQ-UHFFFAOYSA-N 388.493 3.787 0 40 GHAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)Nc1ccc(F)c(Cl)c1 206733361 ODXPTPRVFPWTNE-UHFFFAOYSA-N 378.839 3.579 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)N1CCS[C@@H](c2ccccc2)CC1 206987281 GZJKZWIQTMBUBF-LJQANCHMSA-N 389.542 3.557 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)Cc3cccc(C)c3)ccc21 35588183 ROQHSWWEMOWTHM-UHFFFAOYSA-N 386.561 3.820 0 40 GHAB C[C@@H]1C(=O)[C@H](C)[C@H]2N[C@@H]1c1ccccc1OCCOCCOc1ccccc12 36167054 AGAKQAUZOOAOIV-NLZGTENKSA-N 381.472 3.701 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NCc1nccnc1-c1ccsc1 575618475 IAIMBJUETMNXEU-UHFFFAOYSA-N 379.894 3.645 0 40 GHAB COc1cccc(C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)cc2)c1OC 575609538 DEBCFYWYOLNBOM-GOSISDBHSA-N 383.469 3.896 0 40 GHAB O=C(Oc1ccccc1)N(CCO)[C@H](c1ccccc1)[C@H](O)c1ccccc1 1671915 SZCAVXACQFEDQN-FGZHOGPDSA-N 377.440 3.955 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 15390823 FIROKDMNJXRWCH-GOSISDBHSA-N 390.480 3.706 0 40 GHAB CC(=O)N(c1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)s1)C1CC1 25772491 GWXWDPLLGTULMO-JTQLQIEISA-N 386.502 3.898 0 40 GHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)N[C@@H]1CCOc2ccccc21 40131110 JLIQTEBJOFTAMA-LJQANCHMSA-N 397.425 3.950 0 40 GHAB COc1ccc([C@H]2[C@H](C(=O)NC3CC3)CCC(=O)N2c2ccc(C)cc2)cc1 30553922 YEWGQEZKMJHUSC-IRLDBZIGSA-N 378.472 3.767 0 40 GHAB COc1ccc([C@H]2[C@H](C(=O)Nc3nccs3)c3ccccc3C(=O)N2C)cc1 40285648 UGXKLHORMOYWBG-MSOLQXFVSA-N 393.468 3.701 0 40 GHAB CCCc1nc2sc3c(N(C)CCO)nc(SC)nc3c2c2c1CCC2 2407821 MDHASAPMAQHGFG-UHFFFAOYSA-N 388.562 3.831 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)cc1Cl 11247993 ICNLHDGVIYUAFP-QGZVFWFLSA-N 382.851 3.899 0 40 GHAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N2CCCCC2)cc1 16442186 NRWYBJTXTVSWIX-MRXNPFEDSA-N 381.476 3.760 0 40 GHAB Cc1cc(OCc2nnc(SCC(=O)N3CCC(C)CC3)o2)ccc1Cl 905458 FGJZDDSOJMSMIH-UHFFFAOYSA-N 395.912 3.961 0 40 GHAB COc1ccc2ccccc2c1[C@@H]1C(C(=O)OC(C)C)=C(C)Nc2ncnn21 959046 OQNXHUVCCCORFQ-IBGZPJMESA-N 378.432 3.680 0 40 GHAB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Br)cc1 1068775 OTNJFEVGOGLZFU-QGZVFWFLSA-N 397.276 3.834 0 40 GHAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 6249508 SFRAPYBAAAHNSS-UHFFFAOYSA-N 382.489 3.932 0 40 GHAB CCCCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 6308651 UNRDJQXTQQXDBM-UHFFFAOYSA-N 388.533 3.805 0 40 GHAB CNC(=O)c1ccc(/C=C/C(=O)n2ccc(C)c/c2=N\C2CCCCC2)cc1 102183235 IDBOBEHFFCREDQ-BWEWZUIQSA-N 377.488 3.743 0 40 GHAB CCOc1cc2c(cc1CNS(=O)(=O)c1ccc(Cl)s1)O[C@H](C)C2 32740507 AJDZOKSYPPVSEZ-SNVBAGLBSA-N 387.910 3.602 0 40 GHAB C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc2c(c1)CCCC2 8268623 PYQJSLAKERNLKH-MRXNPFEDSA-N 378.472 3.558 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1cccc2ccccc12)Nc1ccccc1 8416182 AZJLAHKJUIZFJO-UHFFFAOYSA-N 376.412 3.740 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)c1nn(-c2ccc(F)cc2)ccc1=O 11914367 BDGBHFIENBZRKY-UHFFFAOYSA-N 377.297 3.643 0 40 GHAB COc1ccccc1NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 29905581 BELGTFUSYJFBTQ-UHFFFAOYSA-N 392.459 3.596 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1c1nncs1 2704794 NVQHENNEFUIPHH-OAHLLOKOSA-N 379.372 3.533 0 40 GHAB CCOc1ccc(NC(=O)CCC2CCCC2)cc1S(=O)(=O)N1CCCC1 8133820 WLUDQHACVQJLBA-UHFFFAOYSA-N 394.537 3.779 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(=O)cc(N)n2-c2cccc(C)c2)cc1 2751200 RBHPPXCDJJNWBM-OAHLLOKOSA-N 394.500 3.551 0 40 GHAB O=S(=O)(Nc1ccccc1-c1nc(-c2ccncc2)no1)c1ccccc1 22462335 ITFTXPACSCZPIK-UHFFFAOYSA-N 378.413 3.599 0 40 GHAB Cc1ccc([C@@H](NC(=O)c2ccc(N3CCOCC3)nc2)c2cccs2)cc1 22541844 WKAHWSLLEMUYMZ-OAQYLSRUSA-N 393.512 3.808 0 40 GHAB COC(=O)c1sccc1NC(=O)COc1ccc(Oc2ccccn2)cc1 23056088 HXQNBZQGYUPPGZ-UHFFFAOYSA-N 384.413 3.740 0 40 GHAB CSc1ccccc1NC(=O)CCN1CCN(Cc2cccs2)CC1 22932552 GEYMORPJPVHRTP-UHFFFAOYSA-N 375.563 3.616 0 40 GHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 23457506 PHTSRZOQBCWQCW-UHFFFAOYSA-N 383.492 3.740 0 40 GHAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1 20418277 LFQMBUFJNMNDAH-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB COC(=O)c1cccc(NC(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)c1 57318511 MJRRHBGASMQEGZ-HXUWFJFHSA-N 398.459 3.992 0 40 GHAB O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1c(Cl)nc2ccccn12 89878837 LCNMDRMOCVNJQR-ZDUSSCGKSA-N 389.286 3.897 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)cc1F 58297629 IAAMSSNCUMPRJA-UHFFFAOYSA-N 375.450 3.876 0 40 GHAB CC[C@@H](NC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O)C(=O)O 2117677 CTOQMBWDDNGOOI-MRXNPFEDSA-N 399.443 3.667 0 40 GHAB biogenic Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cccc4cn[nH]c34)C2)c1 44958776 XTDMMTBFFMQXOG-KRWDZBQOSA-N 376.460 3.671 0 40 GHAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NS(=O)(=O)c1ccccc1 20611124 SNXQUBGCAICJIR-UHFFFAOYSA-N 382.420 3.669 0 40 GHAB CCSc1nnc(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c2ccccc12 2393803 QYIQRZQHXULCIV-UHFFFAOYSA-N 387.530 3.968 0 40 GHAB CC1(C)Cc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2nncn32)CO1 2335135 LRHTZZXBVCNFOQ-UHFFFAOYSA-N 386.864 3.600 0 40 GHAB COc1ccc(C(N)=O)c(OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)c1 12796693 OEUJEOGYTPZZRR-UHFFFAOYSA-N 392.455 3.522 0 40 GHAB COc1cc(CCC(=O)Nc2ccccc2OCCn2ccnc2)cc(OC)c1 48302772 ZYNPDQHJQLGLFN-UHFFFAOYSA-N 395.459 3.551 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 12885124 ARXWLMDBRRPECU-UHFFFAOYSA-N 383.835 3.536 0 40 GHAB CCSc1ccccc1NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 22432203 VQUCWJUJTUNENN-UHFFFAOYSA-N 378.519 3.512 0 40 GHAB COc1ccccc1CN(C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C 12921587 RLVJPJNOPOANGJ-UHFFFAOYSA-N 378.476 3.568 0 40 GHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(F)c(F)c1 12972310 KGOJVQYCNIZRDC-UHFFFAOYSA-N 375.400 3.663 0 40 GHAB Cc1coc2cc3oc(=O)c(CCC(=O)NCc4cccnc4)c(C)c3cc12 4000245 CBSJZQRMHLBRLC-UHFFFAOYSA-N 376.412 3.800 0 40 GHAB biogenic CC(=O)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 4121989 VFWKJCSKOJZHMD-UHFFFAOYSA-N 385.336 3.667 0 40 GHAB COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NC3CC3)ccc2c1=O 13654924 SFJXKBABCXTTBF-UHFFFAOYSA-N 395.411 3.560 0 40 GHAB Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)cc2o1 65497840 GTBFJLYIUZFLDI-UHFFFAOYSA-N 384.335 3.682 0 40 GHAB CC(=O)Nc1ccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 6430251 CMYNOOGWOPRXJF-UHFFFAOYSA-N 384.476 3.733 0 40 GHAB O=C(COC(=O)c1cccc(-n2cccc2)c1)NC1C2CC3CC(C2)CC1C3 6589965 QYIJWVGVZUGZCD-UHFFFAOYSA-N 378.472 3.575 0 40 GHAB COc1cccc(-n2cc(C(=O)O)c3c2[C@H](c2ccc(F)cc2)CC(=O)N3)c1 66087441 HBJHHYRKGDDQLI-INIZCTEOSA-N 380.375 3.797 0 40 GHAB O=C1CCCC[C@H]1Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 66316494 UTJBBTJQNDDYKY-NVXWUHKLSA-N 375.469 3.867 0 40 GHAB CCOc1ccc2nc(NC(=O)CCc3nc(-c4ccncc4)no3)sc2c1 8751065 MYMSGDSQFRQDEL-UHFFFAOYSA-N 395.444 3.711 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 8769450 XMTLJSSDPVCVIL-IBGZPJMESA-N 377.488 3.940 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cccc(C)c1)S2 6812090 NFZMRMDAYCMYAP-MSOLQXFVSA-N 397.479 3.686 0 40 GHAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7061567 FFJWQNOIVAJVJM-QFIPXVFZSA-N 391.427 3.708 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3nc4c(F)cc(F)cc4s3)CC2=O)cc1 7000049 VWBNQMHHQUZJAT-LLVKDONJSA-N 387.411 3.875 0 40 GHAB O=C(CCNC(=O)c1ccc(Br)cc1)Nc1cnc2ccccc2c1 21137145 VZYQGBXCSZKVOE-UHFFFAOYSA-N 398.260 3.756 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)N2CCCCC2)o1 15860205 WVQLIXRFZJCPPB-CYBMUJFWSA-N 381.270 3.901 0 40 GHAB COc1ccc(/C=C2\C(=O)N(CN3CCOCC3)c3cc(Cl)ccc32)cc1 8991539 WAKFCWIUWIGKHL-UNOMPAQXSA-N 384.863 3.526 0 40 GHAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)N(c2cccc(C)c2C)C(=O)N=C1O 9009718 RKYWSOLGBFAISM-QFIPXVFZSA-N 377.444 3.714 0 40 GHAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccc(NC(C)=O)cc1 9489222 CCRFXCDTNGLRBJ-UHFFFAOYSA-N 375.812 3.518 0 40 GHAB Cc1csc(C2(NC(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CCCC2)n1 78673596 CBORRBKYVJKVGR-OAHLLOKOSA-N 377.554 3.622 0 40 GHAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1nc(-c2ccccn2)cs1 9658224 QSTHVHDJTAPILH-OAHLLOKOSA-N 382.470 3.647 0 40 GHAB COc1ccc(C(=O)COC(=O)CC2CCSCC2)cc1Br 79110815 WFQLDLFDNFXFAK-UHFFFAOYSA-N 387.295 3.717 0 40 GHAB COc1ccc2c(ccn2CCNC(=O)c2cccc(Nc3ncccn3)c2)c1 79483404 ZTCUIXKLFXQPHZ-UHFFFAOYSA-N 387.443 3.614 0 40 GHAB CCCN1CCN(c2ccccc2CNc2cccc(-c3n[nH]c(C)n3)c2)CC1 84755334 XFLWWXXAYBSQQF-UHFFFAOYSA-N 390.535 3.924 0 40 GHAB O=C(C1CCN(c2ccc3c(Cl)ccc(Cl)c3n2)CC1)N1CCOCC1 95460602 OTMNWHKVZHQKJQ-UHFFFAOYSA-N 394.302 3.617 0 40 GHAB C[C@@H](CCc1ccco1)NC(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 95959335 QURLGALFNUJBHQ-KRWDZBQOSA-N 385.464 3.517 0 40 GHAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O 408640856 KAPYXAKENGPLMG-GOSISDBHSA-N 394.471 3.799 0 40 GHAB O=C(O)c1ccccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)o1 409351999 VKTHHIVWYKYEPH-PDGQHHTCSA-N 388.379 3.738 0 40 GHAB Cc1nc(CN2CCN(C(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)oc1C 89558346 WPBYWVRJJFYMPW-UHFFFAOYSA-N 396.413 3.746 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Sc1ccccc1 24019108 JOZFXSMHYYSXFN-LBPRGKRZSA-N 375.446 3.610 0 40 GHAB O[C@H](COc1ccccc1Cl)CN1CCN(c2ccc(Cl)cc2)CC1 31666879 XBSMPCCGXFDTMK-KRWDZBQOSA-N 381.303 3.555 0 40 GHAB O=C(NC[C@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1cccc(Cl)c1 67298656 KAAVSDNYATZXAJ-PJXFJRINSA-N 398.846 3.933 0 40 GHAB CN(C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 38629183 QYARIOIYWQZOBC-GFCCVEGCSA-N 379.334 3.636 0 40 GHAB COc1ccc(-c2noc([C@@H]3C[C@H](NCc4ccc(C)cc4)CN3C)n2)cc1 35424531 SJUHHDWWTFYYNY-ICSRJNTNSA-N 378.476 3.589 0 40 GHAB biogenic,in-vitro C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cncnc1C1CC1 514920344 MSEGYMHPEPCINW-SJCJKPOMSA-N 391.393 3.975 0 40 GHAB CC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2ccc(OCC(N)=O)cc2)S1 79501312 DRLJVIRWYQCKCV-FQEVSTJZSA-N 392.484 3.682 0 40 GHAB CCc1ccc(Oc2cc(N3CCC(C(=O)N[C@H](C)CC)CC3)ncn2)cc1 71328241 QAGDOCMTNWEHDJ-MRXNPFEDSA-N 382.508 3.962 0 40 GHAB O=C(Nc1cccc(COc2cccc(F)c2)c1)C1CCN(C(=O)C2CC2)CC1 31398732 SXDLIWQMBFYCOQ-UHFFFAOYSA-N 396.462 3.992 0 40 GHAB Cc1c(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C4CC4)c3n2)cnn1C 36614356 PEICPFVUQIOAEY-UHFFFAOYSA-N 381.383 3.517 0 40 GHAB Cc1ccc(OCCn2cccn2)c(NC(=O)Cc2ccc3c(c2)CCCO3)c1 72392118 VINTZVRCIYRJIH-UHFFFAOYSA-N 391.471 3.777 0 40 GHAB Cc1nc(CC(=O)N2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cs1 72380376 KXFYHHBMXFGEAJ-OAHLLOKOSA-N 384.480 3.929 0 40 GHAB COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2cccs2)n1 35425018 DSUFIGTXPWDJLL-INIZCTEOSA-N 386.477 3.555 0 40 GHAB biogenic,in-vitro CC(C)(C)OC(=O)N[C@@H](Cc1cc(Br)ccc1Cl)C(=O)O 213501213 ATNXDQHIRSSYGG-NSHDSACASA-N 378.650 3.623 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1ccccc1-n1ccnc1 30753266 GIFOFLWJQRPZLL-UHFFFAOYSA-N 396.299 3.799 0 40 GHAB Fc1cccc(-c2ccc(CN3CCC(c4nnc5n4CCNC5)CC3)cc2)c1 72372075 LOVZNEXETVBIBK-UHFFFAOYSA-N 391.494 3.567 0 40 GHAB S=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nc1)NC1CCCC1 224035390 FBLMRHBJOFFDAA-UHFFFAOYSA-N 381.549 3.637 0 40 GHAB CCOc1cccc([C@H]2c3oc4ccccc4c(=O)c3C(=O)N2CCCOC)c1 41104993 FVFAAGOPDGAHDR-FQEVSTJZSA-N 393.439 3.773 0 40 GHAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C 223501223 OPWWUBFZEQNQIE-NRFANRHFSA-N 396.531 3.785 0 40 GHAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@H]1CCCN1c1ccccn1 225630033 KTPFGFAAQKWQLZ-KRWDZBQOSA-N 377.410 3.818 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 222556271 XOXHGMORRGUYLK-KRWDZBQOSA-N 386.517 3.724 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1cc(C)ccc1C 225063538 SZFPGLRPAAHCDC-HXUWFJFHSA-N 396.531 3.668 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCCCC2)cc1OC 224461982 FCVUIEMPCAQJNJ-JXAWBTAJSA-N 398.459 3.517 0 40 GHAB CC1CCN(c2cc(N3CCCCCC3)nc(NC(=S)NC3CC3)n2)CC1 226003585 RCYFDJJDWVRTGA-UHFFFAOYSA-N 388.585 3.542 0 40 GHAB CCOc1cccc(CNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 44885281 VFJHLECBJYGZJS-UHFFFAOYSA-N 390.288 3.879 0 40 GHAB CSc1cccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)c1 220063589 ULNUFJIFFQOMMS-UHFFFAOYSA-N 398.937 3.775 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2cccc(C)c2)cc1 224536494 CQEYSNFLPVRQIX-STZFKDTASA-N 390.439 3.684 0 40 GHAB Cc1ccccc1CN1CC[C@]2(COCc3c(C)nc(NCC4CC4)nc32)C1 96244514 JKQIGUSFTJLNBT-HSZRJFAPSA-N 378.520 3.589 0 40 GHAB O=C(OC1CN(c2nc3c(C(F)(F)F)cccc3s2)C1)c1cccnc1 90608028 NLOXBKQJOBGBDS-UHFFFAOYSA-N 379.363 3.756 0 40 GHAB CCN(C)c1ccc(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cn1 583621734 DMIJVEQDQZGWDU-SFHVURJKSA-N 385.512 3.542 0 40 GHAB CN1CCN(C(=O)CCC2CCCC2)C[C@@H](Cc2ccnc3cccnc23)C1 257333745 YCXJNYKGJPCBAE-IBGZPJMESA-N 380.536 3.533 0 40 GHAB NC(=O)C[C@@]1(COc2ccccc2)CCCN(C(=O)c2ccc(Cl)cc2)C1 257258276 KTCXDKWPDUQCBE-NRFANRHFSA-N 386.879 3.517 0 40 GHAB Cc1cc(Nc2ccnc(CC3CCN(C(=O)C4CCCCC4)CC3)n2)[nH]n1 257278015 OAJYFJIAEJRETD-UHFFFAOYSA-N 382.512 3.613 0 40 GHAB CC(C)(CNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)[C@@]1(O)CCCOC1 657764463 GCURSVOZWKSSKX-LJQANCHMSA-N 397.441 3.753 0 40 GHAB Cc1c(Cc2cccc(F)c2)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O 1615613243 SEUYBDFOQIMVCH-UHFFFAOYSA-N 392.405 3.867 0 40 GHAB Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 5558346 PBWRIPVVMVFHAW-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB COc1ccccc1C1(NC(=O)CCn2c(=O)oc3ccccc32)CCCC1 12143060 TXLZPVMAORQKIL-UHFFFAOYSA-N 380.444 3.579 0 40 GHAB COc1ccccc1C1(O)CCN(Cc2cc(Cl)c3c(c2)OCO3)CC1 12328427 GOSVJMIJNWONBN-UHFFFAOYSA-N 375.852 3.561 0 40 GHAB COc1ccc(NC(=O)CSCC(=O)OCc2ccccc2Cl)cc1 12910852 KQNSUIHMZZGVLG-UHFFFAOYSA-N 379.865 3.764 0 40 GHAB CCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1 19501192 DYYABPNPWHLPOA-QHCPKHFHSA-N 382.479 3.929 0 40 GHAB Fc1ccccc1-c1ccccc1CN1CCC[C@@H](c2nnc3n2CCNC3)C1 19710974 JLGDMVAUPJTTCX-GOSISDBHSA-N 391.494 3.567 0 40 GHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ccncc2Cl)CC1 1888906824 JQMGFLQMVPMLBP-UHFFFAOYSA-N 386.858 3.809 0 40 GHAB O=C(N1CCC(COc2cc3c(nn2)CCCC3)CC1)C1(c2ccccc2)CC1 1565523262 JEKLENXBWBPEDC-UHFFFAOYSA-N 391.515 3.705 0 40 GHAB Cc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 929252 MLOZTDZNRFTFCN-UHFFFAOYSA-N 375.457 3.855 0 40 GHAB O=C(Nc1nnc(Cc2ccc(Cl)s2)o1)c1cc2ccccc2oc1=O 13653726 YEDNMESPJGUZJK-UHFFFAOYSA-N 387.804 3.734 0 40 GHAB Cc1ncc(CC(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)s1 1890033271 VULBGELUGIVVQZ-UHFFFAOYSA-N 386.908 3.997 0 40 GHAB O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H]1CCCN1c1ncccn1 618257679 ZUTSJSVXPAKTNX-NRFANRHFSA-N 386.499 3.784 0 40 GHAB C[C@H]1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1 4496741 CKSCLEIZVCFKBB-JTQLQIEISA-N 378.494 3.842 0 40 GHAB CCn1cc(-c2nc(-c3ccc(OC)c(OC)c3)no2)c(=O)c2cc(F)ccc21 38654220 FUDWHVLCODJCRL-UHFFFAOYSA-N 395.390 3.895 0 40 GHAB Cc1nc2c3ccccc3nc(S[C@H](C(=O)NC3CC3)c3ccccc3)n2n1 71818210 NEBDLOAHEKTDPP-SFHVURJKSA-N 389.484 3.698 0 40 GHAB Cc1ccc(/C=C/c2nc3s/c(=C/C4=Cc5ccccc5OC4)c(=O)n3n2)cc1 5191994 BGRFAUUCRHUQKR-LYJGTOEOSA-N 399.475 3.605 0 40 GHAB CC(C)CCC[C@H](C)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 12898939 CNINMTWLCWRECU-KRWDZBQOSA-N 399.535 3.833 0 40 GHAB biogenic Cc1nc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cs1 40043075 SAHCXIJNUKHUFB-UHFFFAOYSA-N 389.484 3.672 0 40 GHAB Cc1nc(S)sc1CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 40017340 QOFAAADQEMDLEM-GOSISDBHSA-N 392.546 3.958 0 40 GHAB O=C(NCc1ccccc1)c1ccccc1NC(=O)c1cc2ccccc2[nH]c1=O 40049348 MOYSADNSHBMZSQ-UHFFFAOYSA-N 397.434 3.710 0 40 GHAB CCOc1ccc(CN(C)C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 40104800 YSVAXVGOZYYYDK-UHFFFAOYSA-N 381.476 3.985 0 40 GHAB O=C(NCc1cccnc1OC1CCCC1)Nc1ccccc1Cn1cccn1 40104936 LRGIBPGCNNHELZ-UHFFFAOYSA-N 391.475 3.970 0 40 GHAB COc1ccc([C@@H]2[C@H](C(=O)Nc3nccs3)c3ccccc3C(=O)N2C)cc1 40285646 UGXKLHORMOYWBG-QZTJIDSGSA-N 393.468 3.701 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccco1 2405653 XZVYTTFMCXZPFW-IBGZPJMESA-N 391.354 3.976 0 40 GHAB Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)[C@@H]2CCCO2)cc1 1346766 FOVTZZONZPYKHR-NRFANRHFSA-N 390.483 3.853 0 40 GHAB C[C@H](NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)[C@H]1CCCO1 2780625 TVHVDNWNFNFEMU-GXSJLCMTSA-N 379.810 3.507 0 40 GHAB CN(C)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 4246791 YYHYZHHLOVDKOD-UHFFFAOYSA-N 390.871 3.907 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1c(F)cccc1F 6086258 OBTASJMMTXHOLO-UHFFFAOYSA-N 394.443 3.782 0 40 GHAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 6352386 LFCFRGUESYMPNS-UHFFFAOYSA-N 396.468 3.813 0 40 GHAB CNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(C)s1 6679992 TYERTJSNMQJXIJ-UHFFFAOYSA-N 379.290 3.524 0 40 GHAB Cc1ccc(Cl)cc1N1CCN([C@H](C)c2nnnn2-c2ccccc2)CC1 32916345 HBZPZXPROOIMKE-MRXNPFEDSA-N 382.899 3.507 0 40 GHAB CCOc1ccc(OCCNC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 8387942 SHTJGXVRSGNZLY-UHFFFAOYSA-N 394.427 3.739 0 40 GHAB O=S(=O)(NCc1ccccc1OC(F)(F)F)c1ccc(F)c(Cl)c1 10757172 UDXYLPSTMCZHLA-UHFFFAOYSA-N 383.750 3.856 0 40 GHAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 101114653 XVNWHYCHGXRDLO-LAVFITLUSA-N 385.341 3.665 0 40 GHAB COc1cccc(-n2cnnc2S[C@@H](C)C(=O)N2CCCc3ccccc32)c1 22093712 LETZRBAZMHTCGV-HNNXBMFYSA-N 394.500 3.736 0 40 GHAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 646775 PGUATSAGAVAASQ-UHFFFAOYSA-N 389.260 3.761 0 40 GHAB CCCCn1c(SCc2ccn(C)c(=O)c2)nnc1-c1ccc(OC)cc1 42089710 JOKAIWJKCGGHIL-UHFFFAOYSA-N 384.505 3.745 0 40 GHAB Cc1cccc(N2CCN([C@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1C 57669758 WPOMXLRYENLAMV-HXUWFJFHSA-N 384.572 3.954 0 40 GHAB COc1ccc(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C)cc1 2713315 BIZPZEZZAPTKIV-UHFFFAOYSA-N 387.237 3.599 0 40 GHAB C[C@H](OC(=O)Cc1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@@H]1C 104725487 KNVGPEZGPPDQEJ-XEZPLFJOSA-N 382.298 3.618 0 40 GHAB COc1ccc(NC(=O)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 1384070 KSJVNBPYDDZBRT-UHFFFAOYSA-N 377.322 3.945 0 40 GHAB Cc1nn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Br)cc1 1393849 OXVGTPLPPDMMQF-UHFFFAOYSA-N 375.201 3.730 0 40 GHAB COc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nnnn32)cc1 2914450 NYFVVEWLRMJXEF-JKSUJKDBSA-N 386.253 3.591 0 40 GHAB COc1ccccc1/C=c1\sc2nc(/C=C/c3ccc(Cl)cc3)nn2c1=O 16734957 SMAOQCGFRNAGQR-JUBDITTISA-N 395.871 3.531 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2)c(-c2ccc(F)cc2)n1 57508643 IYJCGXSDHXHUQM-UHFFFAOYSA-N 385.826 3.904 0 40 GHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCCOc1ccccc1 35655179 OELALGJYWOPQDV-UHFFFAOYSA-N 396.516 3.708 0 40 GHAB Cc1cc2oc(=O)cc(CN3CCN(c4ccccc4O)CC3)c2cc1Cl 58159084 QDEHRCDVCSHGGW-UHFFFAOYSA-N 384.863 3.783 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22397537 VVHHWYBLPCPZHH-GOSISDBHSA-N 388.533 3.564 0 40 GHAB Cc1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc(C(=O)O)c1O 20152259 FRWMDISCSZWQOM-UHFFFAOYSA-N 380.425 3.679 0 40 GHAB COc1ccc2c(CCNC(=O)/C=C/c3ccc(OC)c(OC)c3)c[nH]c2c1 2133143 NCQMKWXRDCMYQN-WEVVVXLNSA-N 380.444 3.566 0 40 GHAB biogenic Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N(C)C)cc1 28289736 UIMSNPCIIUOZHI-KRWDZBQOSA-N 384.863 3.788 0 40 GHAB O=c1c2sccc2ncn1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 10768470 AGZYNDBQNRZTCB-QGZVFWFLSA-N 378.453 3.565 0 40 GHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCC[C@H](C)C1 2365992 RBOGMBVAAVJGDX-LBPRGKRZSA-N 377.872 3.668 0 40 GHAB CCN(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 58700068 PYBZPJRXFUYWLQ-HNNXBMFYSA-N 386.879 3.893 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccnc1)OCc1ccccc1 12607221 WGFHENBOWVRKHW-HXUWFJFHSA-N 375.428 3.558 0 40 GHAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N3CCCC[C@H]3C)cc12 3315296 XFCGYVBYKYUDNK-CQSZACIVSA-N 397.500 3.953 0 40 GHAB COc1cc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)cc(OC)c1OC 28303847 XQKHVWOVFGCWDK-HNNXBMFYSA-N 380.444 3.994 0 40 GHAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCC(OCc2ccccc2)CC1 48251646 CGGKTQKPDKXYSW-UHFFFAOYSA-N 375.472 3.623 0 40 GHAB Cc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccn4)n3)CC2)cc1F 48366242 QWKTUYSXDNJQEK-UHFFFAOYSA-N 396.491 3.611 0 40 GHAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1ccc(Br)s1 12875121 UOABBNFKKNCTEJ-CYBMUJFWSA-N 387.299 3.680 0 40 GHAB CSc1ccc(CN(C)C(=O)Cn2c(S)nnc2-c2cccc(C)c2)cc1 12800797 YWDLKZHXRLGTMY-UHFFFAOYSA-N 398.557 3.923 0 40 GHAB CSc1cccc(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)c1 12891086 AWRFFPOXKDWNFK-UHFFFAOYSA-N 383.517 3.698 0 40 GHAB O=C(Nc1cccc(NC(=O)c2ccc[nH]c2=S)c1)c1ccc2c(c1)OCO2 12971246 PHJHYTXMIOGVNO-UHFFFAOYSA-N 393.424 3.977 0 40 GHAB Cc1ccc(-c2noc(Cn3cnc4ccc(Br)cc4c3=O)n2)cc1 12986912 ZDJIJOBXJLMUGH-UHFFFAOYSA-N 397.232 3.566 0 40 GHAB CC(C)c1ccccc1-n1c(SCC(=O)N2CCC2)nc2ccccc2c1=O 12920777 CDGLONBXIWYEBI-UHFFFAOYSA-N 393.512 3.834 0 40 GHAB CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 3501870 SCQNDTZEMRAEAS-AWEZNQCLSA-N 399.491 3.591 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1nn(-c3ccccc3)nc1C)O[C@@H](C)C2 13011106 FWTMUUIOWQZWCY-ZDUSSCGKSA-N 378.432 3.550 0 40 GHAB CC(C)(C)c1ccc(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 4183391 FLMPQOFCGUWPNE-KRWDZBQOSA-N 391.558 3.875 0 40 GHAB COc1cccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)oc12 13727266 YUXYRDGVCNCBQE-RMKNXTFCSA-N 376.456 3.913 0 40 GHAB COc1ccc(CC(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 8498718 JZAOKNFJTZQYBO-HNNXBMFYSA-N 383.444 3.647 0 40 GHAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nc2ccccc21 8425311 XBVDSNXMEMSDOO-UHFFFAOYSA-N 398.879 3.538 0 40 GHAB COc1ccc(-c2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)cc1OC 4340215 TZMGWHLTOALIJZ-UHFFFAOYSA-N 383.400 3.846 0 40 GHAB biogenic CCOc1cc(Br)c(CSc2nnc(N)s2)cc1OCC 5281239 CPZXJLREOZKQDH-UHFFFAOYSA-N 390.328 3.973 0 40 GHAB Cc1csc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)n1 14094372 FBYVMAQOOXZMDL-UHFFFAOYSA-N 391.547 3.761 0 40 GHAB COc1ccc(OCCNC(=O)c2cc3c(C)nn(CC(C)C)c3s2)cc1 14251943 LVZXLYSMXRFODX-UHFFFAOYSA-N 387.505 3.880 0 40 GHAB O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1ccc(Cl)nc1 14637453 YWPAHCQUHWHLCB-UHFFFAOYSA-N 391.656 3.995 0 40 GHAB COC(=O)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(C(=O)OC)c1 6790723 XOTSPQHVCUERFJ-UHFFFAOYSA-N 383.183 3.786 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1 18240778 MXUWHUZMEMZUPN-IBGZPJMESA-N 381.863 3.594 0 40 GHAB CCCCN(CC)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CCC(C)C 67238001 CNJNFEAUONBTDQ-UHFFFAOYSA-N 392.569 3.820 0 40 GHAB CC(C)[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(F)cc1 15480163 NPSSAUQVBCXZNT-NRFANRHFSA-N 383.467 3.643 0 40 GHAB Cc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)o1 8845475 GDABTOVJUWLAOA-NRFANRHFSA-N 386.411 3.824 0 40 GHAB COc1ccccc1Nc1nnc(SCC(=O)N[C@H](C)c2ccco2)s1 7179893 YQANXBGCOWLRIA-LLVKDONJSA-N 390.490 3.853 0 40 GHAB COC(=O)c1cc(O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc(C(=O)OC)c1 7635326 ZTTIIUJSINGLSK-CQSZACIVSA-N 399.443 3.789 0 40 GHAB COc1ccccc1CN(C)C(=O)CSc1nc2cc(Cl)ccc2[nH]1 7699092 LNFVXWSHZYUFJY-UHFFFAOYSA-N 375.881 3.976 0 40 GHAB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)n2)cc1 7773494 ACLKXJBRNDWRSL-ZDUSSCGKSA-N 398.488 3.991 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCN(Cc2cccc3ccccc23)CC1 19855150 WORNYIIJZROOGF-UHFFFAOYSA-N 390.483 3.815 0 40 GHAB CC1CCC(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)CC1 19889463 LYPNODKGBCREBS-UHFFFAOYSA-N 395.341 3.551 0 40 GHAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCc1cccc(Cl)c1 9787418 QAFIUWFEFFAKFP-UHFFFAOYSA-N 399.903 3.950 0 40 GHAB CCCn1ncc(C(=O)OCC)c1NC(=O)CSc1ccccc1Cl 89960651 RECBXGSTWZGXFR-UHFFFAOYSA-N 381.885 3.854 0 40 GHAB CC(C)[C@@H](NC(=O)c1cc2c(nc3sccn32)s1)c1nnc2ccccn12 72230639 RQVUTAJQHVVLAX-CQSZACIVSA-N 396.501 3.780 0 40 GHAB COCc1ccc(C(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)o1 95939512 KEZSQIBHFAOHIM-LBPRGKRZSA-N 399.472 3.999 0 40 GHAB COC(=O)c1n[nH]c2ccc(NC(=O)c3csc(-c4ccsc4)n3)cc12 25015988 XWBUYOXEXZPBLQ-UHFFFAOYSA-N 384.442 3.787 0 40 GHAB CNC(=O)c1ccc(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)cc1 1547206413 XKVIHEZYRSYUDG-UHFFFAOYSA-N 390.468 3.936 0 40 GHAB COc1cccc(NC(=O)N2CCCC[C@@H]2c2nc(-c3ccncc3)no2)c1 67350654 SLSWLZZMNFMSTN-QGZVFWFLSA-N 379.420 3.899 0 40 GHAB Cc1cccc(Oc2cc(CNC(=O)N3C[C@@H]4[C@@H](C3)[C@H]3C=C[C@H]4O3)ccn2)c1C 514843711 AAFHBSAZJBSNQH-VURPSTOHSA-N 391.471 3.586 0 40 GHAB CC(=O)N1CCC2(CC1)CN(Cc1cccs1)Cc1c2nc(C)n1C(C)C 306137905 RJUHSDDOYVYGNK-UHFFFAOYSA-N 386.565 3.730 0 40 GHAB O=C(NCc1ccccc1)c1nnn(-c2ccccc2Cl)c1-c1ccncc1 38487859 HEGYTMKSWAKFFX-UHFFFAOYSA-N 389.846 3.913 0 40 GHAB COc1cccc(-c2cccc([C@H]3CCCN(CC(=O)N4CCCCC4)C3)n2)c1 72348700 SMOLOGPCSXIAJF-FQEVSTJZSA-N 393.531 3.949 0 40 GHAB CS(=O)(=O)Nc1cc(C(=O)Nc2ccc3sncc3c2)ccc1Cl 188171268 FRJQTZAZWZUUSQ-UHFFFAOYSA-N 381.866 3.574 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)c3ccc4c(c3)CCCC4)n2)c1 225635553 WOOFJRHFVHZPAY-UHFFFAOYSA-N 377.444 3.896 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1 225747377 WQLAYJWGZYSGQR-UHFFFAOYSA-N 392.455 3.906 0 40 GHAB Cc1ccc(C)c(OCCNC(=O)c2ccccc2I)c1 223982155 PCGMPMNZSYFIEK-UHFFFAOYSA-N 395.240 3.717 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1cc(C)cc(C)c1 224619192 OQDMDUNMTYFJOM-QFIPXVFZSA-N 396.531 3.668 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 224121377 HHSDOXXBXGKJQB-NRFANRHFSA-N 382.504 3.626 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 223626739 DLNJYXVFWWGQFB-FQEVSTJZSA-N 396.531 3.852 0 40 GHAB COc1ccc2cc(S(=O)(=O)N[C@H](C)COc3ccccc3C)ccc2c1 225820152 HIOHIPQFBHIFFS-MRXNPFEDSA-N 385.485 3.903 0 40 GHAB C[C@H](NC(=O)CC1(n2cccc2)CCSCC1)c1nc2ccccc2n1C 96223702 JSDMQGCXTQFPFV-INIZCTEOSA-N 382.533 3.865 0 40 GHAB C/C(=C\C(=O)NC1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2 96133987 FDTUVAKRFPLCCH-CXUHLZMHSA-N 380.536 3.724 0 40 GHAB CCCCN(C(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1C)c1ccccc1 96347445 GRVFYBFGGPJOQM-UHFFFAOYSA-N 388.471 3.942 0 40 GHAB CN(C)c1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)n[nH]3)CC2)cc1 98212819 QSVYIZXYEIANPL-UHFFFAOYSA-N 395.532 3.603 0 40 GHAB Cc1cc(C)nc(Nc2cccc(C(=O)NC[C@H]3CCCN4CCCC[C@H]34)c2)n1 96343826 DHPJAIAGVCMRQQ-TZIWHRDSSA-N 393.535 3.831 0 40 GHAB CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)C1 581265773 IWNGWNPGFCTHRH-PBHICJAKSA-N 399.401 3.744 0 40 GHAB CC[C@@H]1NCC[C@H]1C(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 581426220 KBZAHSRFOIUCDN-SJBKTWHCSA-N 391.515 3.813 0 40 GHAB Cc1cc(Nc2cc(CC3CCN(C(=O)C4CCCCC4)CC3)nc(C)n2)[nH]n1 257215638 CQZAICWCYJCDBK-UHFFFAOYSA-N 396.539 3.922 0 40 GHAB Cc1c(Br)cccc1NC(=O)c1cccnc1O[C@H]1CCOC1 253396240 DJPIIRFIRTWXHO-LBPRGKRZSA-N 377.238 3.573 0 40 GHAB NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CCC2)CC1 257303446 SHGZDIPNACUUGT-UHFFFAOYSA-N 382.529 3.852 0 40 GHAB O=C(O)[C@H](CC1CCOCC1)NCc1cc2ccccc2nc1N1CCCCC1 1262163783 HNCCJBBORRESDX-NRFANRHFSA-N 397.519 3.585 0 40 GHAB CCO[C@@H](C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)C1CC1 623677856 DOXBVVAGIAULGI-DHIUTWEWSA-N 395.499 3.993 0 40 GHAB Cc1cc(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc(C)n1 390826303 HRQVICRXHHOOJL-UHFFFAOYSA-N 379.382 3.796 0 40 GHAB Cn1nccc1[C@@H]1OCCC[C@H]1c1nnc(N2CCC3(CCCCC3)CC2)n1C 668941937 WJMFMQHYZLMUHP-IEBWSBKVSA-N 398.555 3.735 0 40 GHAB COc1ncccc1CC(=O)N(Cc1ccccc1)Cc1ccc(C(=O)O)cc1 585091717 CXAYZEBRVBFZQL-UHFFFAOYSA-N 390.439 3.560 0 40 GHAB O=C(O)c1cnc([C@@H]2CCCN(C(=O)CSc3ccc(F)c(F)c3)C2)s1 1608966949 PWHLFDQHMRFCDD-SNVBAGLBSA-N 398.456 3.618 0 40 GHAB O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)NCc1ccco1 5053363 LLXMUCGFMCWUAZ-GOSISDBHSA-N 382.441 3.759 0 40 GHAB CC(C)Oc1ccccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 12194508 QRGSXISRJVDXCK-UHFFFAOYSA-N 388.489 3.656 0 40 GHAB CC(C)Oc1ccc(N2C[C@H](C(=O)NC[C@@H](C)c3ccccc3)CC2=O)cc1 13999485 UAOYCXSYFCWAJS-IEBWSBKVSA-N 380.488 3.747 0 40 GHAB Cc1[nH]c2ccc(C(=O)O[C@H](C(=O)N3CCOCC3)c3ccccc3)cc2c1C 14109691 KPSDYMDZIDSVCT-NRFANRHFSA-N 392.455 3.542 0 40 GHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)c1cccnc1 19017520 GKRBLZOYRSLBLM-BDTNDASRSA-N 395.478 3.620 0 40 GHAB COc1ccc2[nH]cc(CCNc3cc(-n4nc(C)cc4C)nc(C)n3)c2c1 19574662 CDWJFHDXGZZHNL-UHFFFAOYSA-N 376.464 3.732 0 40 GHAB O=C(Cn1cnc2ccccc21)Nc1nnc(Cc2ccc(Cl)cc2)s1 19658446 VBAAWWPUEFLLNJ-UHFFFAOYSA-N 383.864 3.771 0 40 GHAB CCN(CC)C(=O)CN1CCC(c2ccc(Cc3cccc(F)c3)cn2)CC1 19687331 ZWFXQTYWCRDPMW-UHFFFAOYSA-N 383.511 3.859 0 40 GHAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccccc2)C1 19703540 DFUNVVZMWCSCAW-QHCPKHFHSA-N 375.472 3.522 0 40 GHAB CC(C)OC(=O)c1cccc(NC(=O)CSCC(=O)Nc2ccccc2)c1 167231722 QSFXFLBJSOGCKX-UHFFFAOYSA-N 386.473 3.562 0 40 GHAB Cc1cc(Nc2ncc(C)s2)nc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 2037835924 KPCKRYIGMCOPKY-MRXNPFEDSA-N 379.489 3.923 0 40 GHAB Cc1ccc(F)cc1CN1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037981087 UFRZIMVLBWVIBS-QHCPKHFHSA-N 382.479 3.922 0 40 GHAB COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@](=O)C3)c1 3660403 GFNYUMVPSKLPNT-NDEPHWFRSA-N 395.484 3.512 0 40 GHAB CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1S[C@@H](C)CC 4087442 POIPMJJFVSATFX-AWEZNQCLSA-N 376.526 3.907 0 40 GHAB C[C@@H](NC[C@@H](O)COc1c(F)cc(Br)cc1F)c1ccccc1 6007941 PLLQKDLCQSSRKO-BXUZGUMPSA-N 386.236 3.818 0 40 GHAB CS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(-c3ccsc3)o2)cc1 575611473 VNQPRRBGLNZHOK-UHFFFAOYSA-N 389.498 3.661 0 40 GHAB Cc1cnc(OC2CCN(Cc3cc(Br)ccc3F)CC2)nc1 653801774 QRIKFDWJDFLIJY-UHFFFAOYSA-N 380.261 3.730 0 40 GHAB COc1cccc(C(=O)N[C@@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)c1OC 77200099 IUXIKRUSWDKIEA-SJORKVTESA-N 398.459 3.994 0 40 GHAB CCOc1cc(C=O)ccc1OCCCCN1CCN(c2ccccc2)CC1 217799562 MRPZSZJFFXASTE-UHFFFAOYSA-N 382.504 3.879 0 40 GHAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40131542 SHZWRTRDWKFFQV-CABCVRRESA-N 388.899 3.541 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)O)n1CCc1ccccc1 904788 RSEZETXKOYHGAM-UHFFFAOYSA-N 383.473 3.585 0 40 GHAB O=C(O)[C@@H](NCCCCCCCN[C@@H](C(=O)O)c1ccccc1)c1ccccc1 4758189 GQZOPQRANHBKDU-OYRHEFFESA-N 398.503 3.768 0 40 GHAB CCN(CC)CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCC2 4848722 SJULWNAGWWLPFW-UHFFFAOYSA-N 386.517 3.757 0 40 GHAB O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCO2 6045256 RCKWFCDQFZVCQU-UHFFFAOYSA-N 383.473 3.532 0 40 GHAB CCOc1c(Br)cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1OC 6746692 RNJVULMRFWYNMN-UHFFFAOYSA-N 392.253 3.638 0 40 GHAB CCOc1cccc(C(=O)Nc2ccc(I)c(C)n2)c1 6935626 KLNNJZSGVBUEAN-UHFFFAOYSA-N 382.201 3.646 0 40 GHAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 102093714 GVNXWDVZBFGYFM-VXAPCQRLSA-N 389.451 3.973 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(C)o2)cs1)c1cccs1 21329442 XQKCNOOMAPMKHT-GFCCVEGCSA-N 375.475 3.979 0 40 GHAB CCc1nnc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)s1 8706478 WUQNHOLKTJVJKA-UHFFFAOYSA-N 379.445 3.580 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CSc2nc(C3CC3)nc(C)c2C(C)=O)c1 32908135 BJZRJSHTOBVHOS-UHFFFAOYSA-N 398.488 3.554 0 40 GHAB COC(=O)c1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)ccc1OC 32999550 SAGLDRDVDPKLGR-ZDUSSCGKSA-N 391.851 3.527 0 40 GHAB Cc1ccc(OC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(C)c1 24495256 RBQDZOFYTRVKFP-ZDUSSCGKSA-N 399.921 3.777 0 40 GHAB CC1CCN(c2ccnc(SCCCn3c(=O)[nH]c4ccccc43)n2)CC1 22636439 ZZEADBXLZNAKHU-UHFFFAOYSA-N 383.521 3.538 0 40 GHAB C[C@@H]1CN(C(C)(C)CNC(=O)/C=C/c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 23181302 OOMVDFNULQLWSE-FSQQNCNXSA-N 384.442 3.723 0 40 GHAB Clc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCSCC2)cc1 57675047 OMVOIQOJAQKYML-LJQANCHMSA-N 399.951 3.707 0 40 GHAB Clc1ccc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccnc2c1 23380770 RNWUIWHZSOAVHS-UHFFFAOYSA-N 381.863 3.939 0 40 GHAB O=c1/c(=C/c2ccccc2Cl)sc2nc(/C=C/c3ccc(F)cc3)nn12 16750602 XWUTVQKIOKEIKN-CRWKAAGYSA-N 383.835 3.662 0 40 GHAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12556777 RPYJABLANYORHD-GOSISDBHSA-N 377.444 3.630 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 101183078 IVCLPPATURSDDN-QZCPTFHJSA-N 392.842 3.904 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 25936087 RZOXZHHTQHGJSU-NHCUHLMSSA-N 394.471 3.790 0 40 GHAB CC(C)c1ccc(N(CC(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1 10449537 CGSSIMWMMUYHSF-UHFFFAOYSA-N 386.517 3.555 0 40 GHAB COc1ccc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1C 10543255 LBSGIHKSZRRSOW-UHFFFAOYSA-N 377.506 3.702 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)NCCCc2nc(-c3ccncc3)cs2)c1 57874280 UTFAOWBDHNRNLY-UHFFFAOYSA-N 387.530 3.733 0 40 GHAB O=C(NCCC1=CCCCC1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 57893567 BDMZOPIQKVMVTM-UHFFFAOYSA-N 391.475 3.556 0 40 GHAB COc1cccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3S2)N2CCCC2)c1 27343018 UEWPNXHDGRXGBO-CTNGQTDRSA-N 382.529 3.665 0 40 GHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)CC2(CCCCC2)C1=O 12615385 SQMUWLGQAUEOFF-CQSZACIVSA-N 399.516 3.525 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 58144551 WHOSSDDXFCHZDS-UHFFFAOYSA-N 393.390 3.522 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1ccc(NC(=O)C2CC2)cc1 58218664 SQRJIIORSDMNHJ-QGZVFWFLSA-N 388.464 3.591 0 40 GHAB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccccc2F)CC1 58323046 MXJPGHTWUKFBGW-HNNXBMFYSA-N 388.462 3.989 0 40 GHAB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@H](C)c3ccccn3)cc2)cc1 16730867 GCPUVAUONCGHCM-OAHLLOKOSA-N 395.484 3.747 0 40 GHAB CC[C@@H]1CCCCN1CC(=O)Nc1c(C(=O)OC)[nH]c2ccc(Cl)cc12 2292637 BLANWFMYOGXJSG-CYBMUJFWSA-N 377.872 3.811 0 40 GHAB COC(=O)c1ccc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)cc1 36360773 FXGWVUKROXCGBS-UHFFFAOYSA-N 378.432 3.540 0 40 GHAB CCCOCc1ccccc1CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 48369086 QVPGPERVNRMXMX-UHFFFAOYSA-N 390.524 3.877 0 40 GHAB O=C(CN[C@@H](c1ccccc1)c1cccs1)c1c[nH]c(C(=O)N2CCCC2)c1 12810568 AINYWAMGPLPKAU-NRFANRHFSA-N 393.512 3.874 0 40 GHAB Cc1cc(C(=O)COc2ccc(Cl)cc2C(N)=O)c(C)n1-c1nccs1 12986464 ZPXCSXAPCOIGAH-UHFFFAOYSA-N 389.864 3.565 0 40 GHAB CN(CCOc1ccc(F)cc1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 12927392 BPVCTGYQXIQKDW-UHFFFAOYSA-N 379.435 3.651 0 40 GHAB CCc1c([C@@H](C)S(=O)(=O)c2ccc(C)cc2)[nH]c(=O)n1-c1ccc(C)cc1 8681125 BTIWLZJPEFNDTJ-MRXNPFEDSA-N 384.501 3.880 0 40 GHAB Cc1c(C)c2ccc(OCC(=O)NCCc3c[nH]c4ccccc34)cc2oc1=O 4085297 AWYKMTJSWXLNQR-UHFFFAOYSA-N 390.439 3.629 0 40 GHAB biogenic O=C(c1cccc(Cl)c1)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 5119570 KOCZZQQBOJPYMN-MRXNPFEDSA-N 398.311 3.823 0 40 GHAB O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccs1)Nc1ccccc1 6282528 JALCKZDBYFUHSB-QGZVFWFLSA-N 391.452 3.744 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1 8428973 QZBDMSJUTBWHFI-SFHVURJKSA-N 380.444 3.934 0 40 GHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cnc(-c4ccccc4)nc3)c2)n1 65479070 SIMCJKQIXOCPJI-UHFFFAOYSA-N 397.438 3.709 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(CSc2ccc3c(c2)OCCCO3)n1 5365783 DZTLWWDVSPHWPZ-UHFFFAOYSA-N 395.488 3.959 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)N[C@H](C)CCc2ccccc2)c(C)c1 5415109 NIRPRBDXAWCEPZ-QGZVFWFLSA-N 395.532 3.509 0 40 GHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2F)n2ncnc2N1 4705304 OGQFNVUXNAKFMC-QGZVFWFLSA-N 383.814 3.998 0 40 GHAB CCCOC(=O)c1cc(NC(=O)c2ccc(CC)cc2)ccc1N1CCOCC1 4711628 NPVOAIXKIBVQPM-UHFFFAOYSA-N 396.487 3.905 0 40 GHAB c1cncc(-c2nc3c4ccccc4nc(NCCCN4CCCCC4)n3n2)c1 6805439 PXOGDBZDOXXGQJ-UHFFFAOYSA-N 387.491 3.627 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 7158660 BZSBOEPNKZZSQQ-UHFFFAOYSA-N 397.277 3.840 0 40 GHAB Cc1cc(C(=O)Nc2nc(C(C)(C)C)ns2)c2nc3n(c2n1)CCCCC3 68072818 NIELMQSDNMLBLG-UHFFFAOYSA-N 384.509 3.867 0 40 GHAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc(=O)[nH]c2ccccc12 7679537 ORCDOHDEASYZSM-UHFFFAOYSA-N 381.775 3.589 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccs2)cc1OC 7702317 QHUREXQDPQYTSF-LJQANCHMSA-N 389.498 3.833 0 40 GHAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C1CCN(C(=O)C2CC2)CC1 16180681 TYMAMOXOROFABJ-UHFFFAOYSA-N 396.462 3.883 0 40 GHAB CCCN(CCC)C(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(Cl)cc1 9238432 GAIWNMKKXZJPMG-HOTGVXAUSA-N 393.944 3.648 0 40 GHAB CC(C)COC[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccco1 72304083 RBRYFZQVPFNUNH-IKGGRYGDSA-N 394.512 3.803 0 40 GHAB CCCN(C(=O)CCCNC(=O)C1CC1)[C@@H]1C[C@H](OCC)C12CCCCC2 84750277 WBEPLPXODLHQCR-MOPGFXCFSA-N 378.557 3.659 0 40 GHAB COc1cccc(C(=O)Cn2cc(-c3nc(-c4ccsc4)no3)ccc2=O)c1 77200453 XLVJZVUBKJQFGR-UHFFFAOYSA-N 393.424 3.518 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 79075861 PMTKDRWOXIKQPA-GHTZIAJQSA-N 390.443 3.705 0 40 GHAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3cccc(OC)c3)CC2)cc1 9983358 ALIMFILRORHEMF-IZZDOVSWSA-N 379.456 3.839 0 40 GHAB NC(=O)N[C@@H](CC(=O)Nc1ccccc1N1CCCCCC1)c1ccccc1F 24473847 YAIJWLPQIDRHJS-IBGZPJMESA-N 398.482 3.944 0 40 GHAB CC[C@H](C)OCc1nn(CCC(F)(F)F)cc1I 408716840 ROWOCDXAKDHVBL-QMMMGPOBSA-N 376.160 3.755 0 40 GHAB CCC1CCN(CCCNC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)CC1 1505840656 MBJQQBQYARUVAO-DQVLVPHSSA-N 393.616 3.582 0 40 GHAB C[C@@H](NC(=O)[C@@H]1C[C@H]1c1csc(Br)c1)C(=O)Cc1ccccc1 528879568 ZMMLVYSZDSYKKI-BYCMXARLSA-N 392.318 3.931 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2)cc1 33869287 HPWRAJOXYANONG-UHFFFAOYSA-N 396.468 3.813 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)cc(C)c3)n2)c1 219553727 AJODCDVBQXLCDT-MRXNPFEDSA-N 395.459 3.788 0 40 GHAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1ccccc1Cl)N2c1ccccc1 32640448 RSDOBKJPGAIIIA-DLBZAZTESA-N 392.933 3.615 0 40 GHAB CC(C)c1ccc([C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)c2cccs2)cc1 39995661 IEFTYRDKTBZEMG-AEFFLSMTSA-N 377.531 3.512 0 40 GHAB C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)C1 224174779 LWVNFHNFLFWRKW-OAHLLOKOSA-N 390.480 3.523 0 40 GHAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cccc(OC)c3)s2)cc1 225845016 LCGBFKQFFZEHHQ-LBPRGKRZSA-N 385.445 3.628 0 40 GHAB C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 40104607 SVPLEZKIIXLLRY-AWEZNQCLSA-N 392.463 3.523 0 40 GHAB CC[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 224309042 VTCAGBQFRHYMMZ-INIZCTEOSA-N 386.533 3.701 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 40020259 NOLXNQXPMBGVBV-LBPRGKRZSA-N 386.448 3.577 0 40 GHAB COCCC1(NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)CCCC1 225869708 KRQVXWBPYSAQJQ-UHFFFAOYSA-N 375.538 3.758 0 40 GHAB CN(Cc1ccc(C(=O)Nc2ccccc2F)cc1)S(=O)(=O)c1ccccc1 224408285 HOZBFPJZGPZUEH-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)n1C 223890351 CTBPJOLXNYEHIL-LEWJYISDSA-N 391.544 3.972 0 40 GHAB CCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1COC 224688607 NQWJEOSDJMHVMA-UHFFFAOYSA-N 388.895 3.848 0 40 GHAB CCN(CC(=O)N(C)c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 226048916 IFMBAWJNFGFYKQ-UHFFFAOYSA-N 394.924 3.630 0 40 GHAB COc1ccc2cc(S(=O)(=O)NCCSCc3ccco3)ccc2c1 224717816 PNMDOIWCGNYSTA-UHFFFAOYSA-N 377.487 3.653 0 40 GHAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1 224784643 ZWHZOXWGAOZIAO-INIZCTEOSA-N 398.528 3.642 0 40 GHAB C[C@H](Cc1ccc(Cl)cc1)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 40112184 YPPOYDCUORZAEY-CYBMUJFWSA-N 393.318 3.747 0 40 GHAB Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225468145 RZFZDQGULBKNLE-LJQANCHMSA-N 382.504 3.624 0 40 GHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCc2ccccc2C1 223411698 CZRGNVYAVABNNP-LJQANCHMSA-N 392.543 3.897 0 40 GHAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)c1ccccc1 223579674 FHXSDQLGAQEBAC-UHFFFAOYSA-N 385.489 3.855 0 40 GHAB Cc1cccc(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccccc2)c1C 225196461 ZNFUKIGENGPKRF-SFHVURJKSA-N 388.533 3.659 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(Cl)c1 224133367 UKIAHIDUHQYNKX-IBGZPJMESA-N 388.895 3.662 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 223536788 DSBVRBVOGLAGHY-GOSISDBHSA-N 382.504 3.742 0 40 GHAB O=C(O)C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 514289628 XFQGQVGCSKITER-IRXDYDNUSA-N 381.451 3.858 0 40 GHAB biogenic,in-vitro CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CN1CCO[C@H](c2ccc(F)cc2)C1 230066014 HCTQBABQZRDQQK-UVUJQTEASA-N 389.511 3.569 0 40 GHAB Cc1cccc(NC(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3ccc4c(c3)OCO4)C2)c1 96075121 RNXHWZGMMBBFAE-HTAPYJJXSA-N 393.443 3.606 0 40 GHAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)C3CCCC3)CC2)Oc2ccccc21 96242939 AFYBHUSGXOYUCM-GOSISDBHSA-N 384.520 3.582 0 40 GHAB CC(C)Nc1nc(-c2cccc(F)c2)nc2c1CN(C(=O)c1ccncc1)CC2 96254326 NSHOBIRWZFHWRP-UHFFFAOYSA-N 391.450 3.697 0 40 GHAB CCN(C[C@@H]1CCCN1CC)C(=O)c1cnc(-c2ccc3c(c2)CCO3)s1 585083125 PKLWGOJNYVBMGX-KRWDZBQOSA-N 385.533 3.691 0 40 GHAB CC(=O)N1CCC[C@H]2N(C(=O)c3ccnc(Cc4ccccc4)c3)CCC[C@@]21C 257201101 AGHGSAUUYYGCFL-VWNXMTODSA-N 391.515 3.678 0 40 GHAB CC(F)(F)C(=O)N[C@@H]1[C@H]2CCCN(c3nc4c(F)cccc4o3)[C@H]2C1(C)C 585137761 RYNKGQWOUZCPOO-VCTAVGKDSA-N 381.398 3.732 0 40 GHAB Cc1nc(O)cc([C@@H]2CCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257270776 MVPXGJIZJJSWDB-GOSISDBHSA-N 389.455 3.845 0 40 GHAB CC(=O)Oc1c2cccnc2c(OC(C)=O)c2sc(-c3ccccn3)nc12 255189012 NDVZIINFQVJVFR-UHFFFAOYSA-N 379.397 3.757 0 40 GHAB COc1ncccc1C(=O)N1CCC(c2cccc(-c3c(C)noc3C)n2)CC1 257202201 AKWFHJZMIZORSQ-UHFFFAOYSA-N 392.459 3.777 0 40 GHAB O=C1CCCN1C[C@H](N[C@H]1CCCn2ccnc21)c1cccc(C(F)(F)F)c1 655690692 IRBVMYPWNFSYFT-IRXDYDNUSA-N 392.425 3.690 0 40 GHAB O=C1N(Cc2ccccc2-c2ccc(Cn3cccn3)cc2)C(=O)C23CC(CN12)C3 656799583 AJSVPZLNQLBJAG-UHFFFAOYSA-N 398.466 3.525 0 40 GHAB COc1cc(CCN[C@@H]2CCn3ccnc32)cc(OC)c1OCc1ccccc1 621771829 OCUPQOYZYNFPIQ-LJQANCHMSA-N 393.487 3.756 0 40 GHAB Cc1cc(=Nc2ccccn2)[nH]c([C@H]2CCCCN2C(=O)/C=C/c2ccco2)n1 585292832 SQEFUWNRHNMPBC-DOJUMQAQSA-N 389.459 3.706 0 40 GHAB CC(=O)Nc1ccc(-c2cnc3n2CCN(C(=O)CC2CCCCC2)CC3)cc1 585111386 RRKNCIUAFQRIKW-UHFFFAOYSA-N 394.519 3.864 0 40 GHAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1cccc(C(=O)NC2CC2)c1 11549567 UUWACWWWLYUPFT-UHFFFAOYSA-N 377.366 3.648 0 40 GHAB CCc1ccc(NC(=O)[C@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 13715298 LIZDWRIGDHCJJX-SFHVURJKSA-N 378.469 3.571 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1cccc2ccccc12 16248367 FZKQTMBVMUQDDZ-UHFFFAOYSA-N 388.876 3.898 0 40 GHAB COc1cc(/C=C\C(=O)OC/C=C\c2ccc3c(c2)OCO3)cc(OC)c1OC 17315575 XSDSFWOIAZLXLB-PHSHQRSZSA-N 398.411 3.711 0 40 GHAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)[C@@H]1CC=CCC1)Cc1ccccc1O2 19016312 PJEYLJGXOKZTFR-JVIIGWRGSA-N 396.531 3.924 0 40 GHAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)CO2 19562372 OAKPJNXHWVJLBS-IEBWSBKVSA-N 397.471 3.627 0 40 GHAB CN1CCN(Cc2ccc(-c3ccccc3)cc2)C[C@@H](Cc2ccccn2)C1=O 19696811 IFQVQYWUZKSAAK-HSZRJFAPSA-N 385.511 3.882 0 40 GHAB CCN(C(=O)Cc1cc(C)ccc1OC)[C@@H]1CN(C(C)=O)C2(CCCCC2)C1 19703860 VIKGJYLEMZULJR-FQEVSTJZSA-N 386.536 3.718 0 40 GHAB CCc1cc(O)n2nc([C@H]3CCCCN3Cc3c(OC)cccc3OC)cc2n1 12276478 QNWCBNLQTLYSDV-GOSISDBHSA-N 396.491 3.742 0 40 GHAB COc1cccc(-c2ccc(C(=O)NCC(C)(C)c3ccccc3F)c(=O)[nH]2)c1 19717233 RVQHBPQDKHIPQB-UHFFFAOYSA-N 394.446 3.897 0 40 GHAB C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc(F)c(F)c1 9049916 XVQFQWSPVIKKPG-SNVBAGLBSA-N 391.399 3.687 0 40 GHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)C1 6237648 ZHPXVCWCKDMJGP-GJZGRUSLSA-N 390.480 3.745 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2Br)c1C 13135177 HUEQCULTKVLQBJ-UHFFFAOYSA-N 380.238 3.832 0 40 GHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccnc(OC2CCCC2)c1 244947635 DUAWXZRRZREWGX-UHFFFAOYSA-N 379.504 3.797 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CCN1CCN(c2ccccc2C)CC1 870283 CCAPVBKCAKZAPB-UHFFFAOYSA-N 387.911 3.808 0 40 GHAB CCOC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccccc2)c(C)c1)C(F)(F)F 3103290 SZDCICZWXZRYDV-SFHVURJKSA-N 396.365 3.952 0 40 GHAB Cc1ccc(-n2nnnc2CNC(=O)c2ccc(-c3ccccc3)cc2)cc1C 4376001 NDXKVUHKKGACBM-UHFFFAOYSA-N 383.455 3.876 0 40 GHAB CC1(C)COc2cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc2NC1=O 9169173 BRMQZSKXWDEQBQ-UHFFFAOYSA-N 394.880 3.639 0 40 GHAB CCC(=O)N1CCCc2cc(NC(=O)c3ccc(Br)o3)ccc21 9569246 BTGVEGUJYDEPOF-UHFFFAOYSA-N 377.238 3.984 0 40 GHAB CCCC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(C)cc1C 9661257 LMHCHOOHTHIEJT-UHFFFAOYSA-N 389.463 3.665 0 40 GHAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc2c(F)cccc2s1 10218366 OHVYESIBKLGJQR-UHFFFAOYSA-N 378.450 3.628 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 10784950 AAKYSCHGHSZTLD-CQSZACIVSA-N 384.910 3.583 0 40 GHAB O=C(NC1CCCCCC1)c1nnn(-c2ccccc2F)c1-c1cccnc1 49003711 PXEIZZAZWWGCAW-UHFFFAOYSA-N 379.439 3.921 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2ncc(-c3ccc(Cl)cc3)o2)n1 206588290 ILJOAHHMJUFEDZ-UHFFFAOYSA-N 391.836 3.809 0 40 GHAB CSc1ccc(/C=C/C(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)cc1 575613287 RGHTWWOTHDSVSE-JYLQPTBZSA-N 397.540 3.852 0 40 GHAB CN1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)[C@H](c2ccccc2)C1 30030419 IQRRQUABLMHKBY-NRFANRHFSA-N 394.906 3.714 0 40 GHAB Cc1oc(-c2cccs2)nc1CC(=O)N1c2ccccc2[C@@H](C(N)=O)C[C@H]1C 40069822 SLIMISOSGXUWFE-DOMZBBRYSA-N 395.484 3.648 0 40 GHAB O[C@H](CNc1nc(-c2cccnc2)nc2sc3c(c12)CCC3)C(F)(F)F 30777849 SZTJATZDHMHBJD-GFCCVEGCSA-N 380.395 3.577 0 40 GHAB CCOc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)cc1 100619315 RWJJYGOJZYGABX-RBMNSDIISA-N 396.487 3.534 0 40 GHAB COc1ccc2ccccc2c1[S@@](=O)N1CCN(Cc2ccccc2)CC1 20404983 XIFLCEQGIKETEC-MHZLTWQESA-N 380.513 3.689 0 40 GHAB CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc2c(c1)OCCO2 2460161 UVIVAHYTVKQEJQ-HTWSVDAQSA-N 388.508 3.754 0 40 GHAB C[C@@H]1CCc2c(sc3ncn(C[C@H](O)c4ccc(F)c(F)c4)c(=O)c23)C1 51289815 OJJGKRZRJXTIQP-BMIGLBTASA-N 376.428 3.595 0 40 GHAB COc1ccc(-n2c(SCCN3CCCCC3)nnc2-c2cccnc2)cc1 876236 LTOHDIRPBXUGAO-UHFFFAOYSA-N 395.532 3.916 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2C)cc1OC 904688 SIBYONYIVCWWEF-UHFFFAOYSA-N 398.488 3.539 0 40 GHAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)NC[C@@H]1CCCO1 924426 RQAKUWMCFUKVMJ-AWEZNQCLSA-N 385.514 3.746 0 40 GHAB O=C(Nc1ccccc1)[C@H]1C(=O)N[C@@]2(c3ccccc3)C[C@@H]1c1ccccc1O2 1296986 FTBQIMXPMGDEID-IZIIKQMZSA-N 384.435 3.790 0 40 GHAB CCCc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)n1Cc1ccco1 1355918 ZPPWPABKXZAQDT-HUUCEWRRSA-N 376.526 3.754 0 40 GHAB COc1cccc(C(=O)CSc2nnc(-c3ccco3)n2C[C@H]2CCCO2)c1 1364298 YPLCYYCRJXMWFG-MRXNPFEDSA-N 399.472 3.701 0 40 GHAB CCOC(=O)c1ccc2c(c1)N(CC(=O)c1ccc(C)cc1)C(=O)C(C)(C)O2 1346657 HZKNIJKJZYUKBH-UHFFFAOYSA-N 381.428 3.559 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)[nH]n2)cc1 32238475 BHEXCXHOIGEQDF-UHFFFAOYSA-N 394.519 3.640 0 40 GHAB CCc1cc2cc3c(cc2nc1SCC(=O)NCc1ccccc1)OCO3 4849531 IVGRONOITQLNAW-UHFFFAOYSA-N 380.469 3.934 0 40 GHAB O=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccc(Cl)c(Cl)c1 6025729 GLNGKGWZSAIISU-UHFFFAOYSA-N 377.227 3.906 0 40 GHAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN[C@@H](c1ccc(C)cc1)C1CC1 32899662 UJUICAPUAMIEGM-REWPJTCUSA-N 383.488 3.687 0 40 GHAB CCOC(=O)c1oc2ccccc2c1COC(=O)CCc1c(C)nn(C)c1C 29657124 KDYXZOCTYPASRX-UHFFFAOYSA-N 384.432 3.636 0 40 GHAB CCOC(=O)c1c(COC(=O)c2n[nH]c3ccccc23)nc2ccccc2c1C 32859690 NQLDMODNYUJYLJ-UHFFFAOYSA-N 389.411 3.953 0 40 GHAB Cc1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1Cl 8040857 FYHFJRVBEKKJEW-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB CCc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1 8413862 ASPNNRRVDKXJPH-UHFFFAOYSA-N 388.851 3.803 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)Nc1ccccc1 8416160 CZHVRNQUGSTOED-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3c3cccc(C(F)(F)F)c3)C2=O)cc1F 101260566 YRJWCHUSEKAYJA-CABCVRRESA-N 392.312 3.651 0 40 GHAB O=C(NCCN1CCOCC1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1F 46573608 QNADXNQEWVCTBZ-UHFFFAOYSA-N 396.384 3.574 0 40 GHAB CC(=O)Nc1cccc(OC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1 59289234 GRVQAWZHHGWIFM-GOSISDBHSA-N 394.471 3.720 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)Cc2ccc(F)cc2)c2ccccn2)CC1 100750321 DNDBZLNKUHOWCV-YYDVJCTNSA-N 397.494 3.563 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1C 679544 WTTNQOGZALXZBI-UHFFFAOYSA-N 386.452 3.572 0 40 GHAB COC(=O)c1sc(NC(=O)c2cc(Cl)ccc2OC)c(C(=O)OC)c1C 673349 MAARBCDVBDMZSE-UHFFFAOYSA-N 397.836 3.544 0 40 GHAB O=C(CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)Nc1cccc(O)c1 54360757 WMJDGLAJLWCAIN-YBEGLDIGSA-N 386.404 3.596 0 40 GHAB CCOc1ccc(C2=N/C(=C/c3cc(OC)cc(OC)c3)C(=O)O2)cc1OCC 96634982 GUKZSDMCDLSLMQ-WOJGMQOQSA-N 397.427 3.846 0 40 GHAB CC1CCN(CCCCNC(=O)N[C@@H]2CCCOc3ccc(F)cc32)CC1 54785058 KMJDFNDEMALWIZ-LJQANCHMSA-N 377.504 3.851 0 40 GHAB O=C(Cc1ccc(Cl)cc1Cl)N[C@H](CN1CCOCC1)c1ccccc1 24084055 PDBOEGGRJQBVHE-LJQANCHMSA-N 393.314 3.726 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 109007621 UIVKKRBODDBCCI-DEPWHIHDSA-N 384.524 3.922 0 40 GHAB CC(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 43187337 VBBUCEBSISSUHY-CQSZACIVSA-N 382.346 3.930 0 40 GHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccncc1 12550927 XTNKSWSSENVKJV-AWEZNQCLSA-N 399.447 3.513 0 40 GHAB CN(Cc1ccccc1N1CCCCC1)Cn1nc(-c2ccc(F)cc2)oc1=O 12516818 XQYZIOJZMSSIEW-UHFFFAOYSA-N 396.466 3.722 0 40 GHAB Cc1ccc(-n2ccnc2SCC(=O)Nc2cccc(C(=O)O)c2)c(C)c1 12546603 JHTSEGLNTSUFIQ-UHFFFAOYSA-N 381.457 3.918 0 40 GHAB Cc1cc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc(C)c1Cl 23586858 QSEVKSZRTJEOGY-IBGZPJMESA-N 392.902 3.658 0 40 GHAB Cc1sc2nc([C@H](C)Nc3cccc(CN4CCOC4=O)c3)[nH]c(=O)c2c1C 56160979 WKBLLMYKNLJJRG-LBPRGKRZSA-N 398.488 3.727 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)C3CCN(c4ncccn4)CC3)ccc2o1 56909162 XMFOOXRPBILXDC-UHFFFAOYSA-N 379.464 3.770 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2Cl)cc1 20047276 NOSQLQCDCFKWTI-UHFFFAOYSA-N 380.897 3.978 0 40 GHAB CCCn1c(SCC(=O)N[C@H]2CCc3ccccc32)nc2ccccc2c1=O 57472466 JXQVGJWDSSMKJP-IBGZPJMESA-N 393.512 3.702 0 40 GHAB COCc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)cc1 44501277 HDFKIZIKQADLSG-CQSZACIVSA-N 392.293 3.988 0 40 GHAB COCCOc1c(Cl)cccc1NC(=O)c1[nH]c2c(c1C)C(=O)CCC2 58278295 MJNRRIXRLSMOQB-UHFFFAOYSA-N 376.840 3.773 0 40 GHAB O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1cc(Br)ccc1Cl 58224602 YURBCKDZYILKET-UHFFFAOYSA-N 378.613 3.591 0 40 GHAB O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1ccc(-n2cccn2)nc1 12728019 AKVOEYSMZPSHED-UHFFFAOYSA-N 397.410 3.845 0 40 GHAB COc1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc(OC)c1OC 11003187 TWCSLDRJFSCERR-UHFFFAOYSA-N 393.823 3.779 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cccnc1N)c1ccccc1 12898620 VGSVBLPRSODHNC-LJQANCHMSA-N 391.427 3.518 0 40 GHAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cccc(OC(F)F)c1 12809909 LEYXLKNQZVYPBX-UHFFFAOYSA-N 383.778 3.685 0 40 GHAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccccn3)CC2)cc1 3415834 KSHQCACNMBWYHS-QHCPKHFHSA-N 386.499 3.892 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)COc3ccc4ccc(=O)oc4c3)c2C)no1 3493853 ZHAJWAQKABIKPZ-UHFFFAOYSA-N 378.384 3.759 0 40 GHAB COc1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc(Cl)c1OC 12993287 WNAYUKLEVLOXTR-UHFFFAOYSA-N 388.851 3.636 0 40 GHAB COc1cc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc(OC)c1C 12979135 QLBCNZLRMZUIOZ-UHFFFAOYSA-N 379.460 3.529 0 40 GHAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC(C(=O)N2CCCC2)CC1 12916051 NUZIFFSYPLDFGO-ZDUSSCGKSA-N 398.334 3.655 0 40 GHAB Cc1ccc2[nH]c(SCc3nc(N)nc(Nc4ccccc4C)n3)nc2c1 13129762 ZIFWMEOCIUVNGC-UHFFFAOYSA-N 377.477 3.983 0 40 GHAB O=C(CSc1nc(O)cc(O)n1)Nc1cc(Cl)c(Cl)cc1Cl 13324190 LCARJRJGODJGPC-UHFFFAOYSA-N 380.640 3.579 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1F 8561920 IEULROYWLPFXHE-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB CN(C(=O)CCn1nnc2ccccc2c1=O)c1ccccc1-c1ccccc1 64381975 HDMQNEGQWMKCQI-UHFFFAOYSA-N 384.439 3.512 0 40 GHAB Cn1c(SCC(=O)N(Cc2ccccc2)Cc2ccco2)nnc1C1CC1 8473984 WYHINBKFDBHENZ-UHFFFAOYSA-N 382.489 3.607 0 40 GHAB O=C(c1ccccc1Cl)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 5025646 WHBYDKGEYANPNK-OAHLLOKOSA-N 398.311 3.823 0 40 GHAB O=C(/C=C/c1c(Cl)nc2ccccn12)NCCc1c[nH]c2cc(F)ccc12 65162044 XJFLZPIEBYLRSA-VOTSOKGWSA-N 382.826 3.980 0 40 GHAB Cc1nnnn1-c1cccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1 71288737 WAMQOHUIFUIZKO-UHFFFAOYSA-N 397.482 3.923 0 40 GHAB Cc1sc2ncn(CC(=O)c3cc(C)n(C[C@@H]4CCCO4)c3C)c(=O)c2c1C 5319388 XBYCSHAUAYITAN-INIZCTEOSA-N 399.516 3.555 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccccc1N1CCCC1=O 14237739 FLGYRQMZDWIETL-UHFFFAOYSA-N 376.456 3.904 0 40 GHAB COC(=O)c1c(NC(=O)CSc2nc3ccccc3[nH]2)sc2c1CCC2 6516566 ORJJWZAECOAMAQ-UHFFFAOYSA-N 387.486 3.631 0 40 GHAB COc1ccc(C(=O)OC2CCCCC2)cc1S(=O)(=O)N1CCCC[C@@H]1C 14464544 QCEPPUDZLHVHHJ-HNNXBMFYSA-N 395.521 3.748 0 40 GHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccccc1Cl 6628243 BMYWGKRCWCXHAZ-UHFFFAOYSA-N 381.745 3.651 0 40 GHAB Cc1cc(O)c2c(C)c(CC(=O)NCCc3ccc(Cl)cc3)c(=O)oc2c1 4742708 MRPXLMOKLQFQHC-UHFFFAOYSA-N 385.847 3.670 0 40 GHAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c(C)o1 4965950 QKMFEMXPIFTFKS-UHFFFAOYSA-N 376.478 3.713 0 40 GHAB CN(C)Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc1 67041744 REFYGNSNBCPNGS-HXUWFJFHSA-N 395.503 3.566 0 40 GHAB O=C(Nc1ccc(Cn2cccn2)cc1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 67282019 QTEBTUICRRDLMW-HXUWFJFHSA-N 398.413 3.815 0 40 GHAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 7284950 HOWSJZNETAFHDQ-UHFFFAOYSA-N 390.892 3.522 0 40 GHAB C[C@H](Sc1ncnc2sccc12)C(=O)N1c2ccccc2NC(=O)C1(C)C 7363671 FNZRRNINYPVRSH-NSHDSACASA-N 398.513 3.936 0 40 GHAB CCC(=O)N(c1nnc(SCC(=O)c2ccc3c(c2)CCC3)s1)C1CC1 7673064 PREGWJDHNVJYFT-UHFFFAOYSA-N 387.530 3.907 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 7798036 DHQCOQSUFVSLOU-AWEZNQCLSA-N 391.500 3.745 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1Br 9356047 QNRKEAJXWPBMER-ZDUSSCGKSA-N 398.322 3.757 0 40 GHAB COc1ccc(CCNC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1OC 95369329 UEGLQVAFONIHFA-AYHJJNSGSA-N 390.524 3.766 0 40 GHAB Cc1cc(OCC(=O)O)ccc1NC(=O)CCCOc1ccc(F)cc1F 95425247 JQYDNDGFCMVMDY-UHFFFAOYSA-N 379.359 3.534 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)ccc1C 95458074 GSQMWLZVQJQROE-QGZVFWFLSA-N 392.565 3.678 0 40 GHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2c(C)ccc3nsnc23)cc1 408574460 QWIVVLRREOXQII-UXBLZVDNSA-N 384.486 3.535 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 32929644 IWBUFLDBKHFUMX-RYUDHWBXSA-N 378.321 3.698 0 40 GHAB COc1ccc(OC)c(-c2[nH]c(=Nc3cccc(C)c3)sc2CC(=O)O)c1 408886186 ITGBXAMSGPGUNN-UHFFFAOYSA-N 384.457 3.928 0 40 GHAB CC(C)c1nccn1-c1cncc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 72378393 PZNMTZFTWJEOJV-SFHVURJKSA-N 379.439 3.902 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(F)cc1 72396936 OSKQHCSFEYQSRC-LJQANCHMSA-N 379.435 3.887 0 40 GHAB Cc1ccc(C)c(NC(=O)Cn2nnc(C(=O)Nc3ccccc3Cl)c2C)c1 71327315 LGZIDSBJZWPGLG-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB COc1cc(NC(=O)c2cccc(-n3nc(C)cc3C)c2)cc(OC)c1OC 72405700 CSMPIQGCCLUHOT-UHFFFAOYSA-N 381.432 3.767 0 40 GHAB Cc1c(C(=O)N[C@H](C)C(=O)N2CCCCC2)oc2cc(Br)ccc12 72250138 ZLBINVNRGXHPDK-GFCCVEGCSA-N 393.281 3.635 0 40 GHAB COCCOc1ccc(-c2noc([C@@H]3CCCN3CC3CCCCC3)n2)cn1 35425396 VQXHZHMMOYAPEZ-SFHVURJKSA-N 386.496 3.874 0 40 GHAB biogenic,in-vitro O=C(CNc1ccc(SC(F)F)cc1)N1CCN(c2ccccc2)CC1 39972098 ODLLTFJFQYRNCM-UHFFFAOYSA-N 377.460 3.762 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 49550757 MSITYCGMVDUSDZ-VIFPVBQESA-N 397.287 3.714 0 40 GHAB COc1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1Cl 224721838 RQHRHXFSGQSCAY-UHFFFAOYSA-N 376.261 3.836 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1 222536111 NDHJDPOPGUPNKD-CYBMUJFWSA-N 395.286 3.536 0 40 GHAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccc(Cl)cc2Cl)c1 40096565 GHBHDCFLJAFFEA-HNNXBMFYSA-N 385.247 3.866 0 40 GHAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cc2ccncc2)cc1 45810594 PBBLWKYMJRZOQQ-UHFFFAOYSA-N 399.450 3.687 0 40 GHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCOC)c1ccccc1 223408615 GXVPSARSXZXFCV-HXUWFJFHSA-N 388.895 3.583 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)cc1 225379349 STTFYBYQCDOXGT-ZDUSSCGKSA-N 395.286 3.536 0 40 GHAB C[C@]1(c2cccc(-c3noc(-c4cccc(C5CCC5)c4)n3)c2)NC(=O)NC1=O 574942623 CMOSRLNHUWLHPJ-JOCHJYFZSA-N 388.427 3.726 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)c1 224855080 JAXGKBDJDVRRKM-VQTJNVASSA-N 394.500 3.614 0 40 GHAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(c3ccsc3)CC2)cc1 77099790 RSPUJHNBCZAXLC-UHFFFAOYSA-N 391.558 3.879 0 40 GHAB O=C(O)[C@@H](c1ccccc1F)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 579720963 UJCMNUTZMLFWIT-GOSISDBHSA-N 380.423 3.616 0 40 GHAB Cc1ccc(NC(=O)[C@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)cn1 96037493 GITYIPIAGONINS-JOCHJYFZSA-N 389.503 3.906 0 40 GHAB CC(C)C(=O)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 257205247 AYERHUFAJYOUON-LPHOPBHVSA-N 382.426 3.843 0 40 GHAB O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H](Cc1ccccc1)CC1CCCCC1 584906635 FKFKBEPDWGREFK-UXHICEINSA-N 377.550 3.509 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(Cc2ccccn2)C2CC2)[C@@H]1c1ccccc1C 257292919 QNLTXKXWMCXGIY-GGAORHGYSA-N 391.515 3.881 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@H](Cc2cnc(-c3ccccc3C(=O)O)cn2)C1 257311139 UIDZJZRASLJVST-OAHLLOKOSA-N 381.476 3.669 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@H](Cc2cc(-c3c(C)noc3C)ncn2)C1 257246442 IUDKNWZRUHZQEU-OAHLLOKOSA-N 397.504 3.608 0 40 GHAB Cc1nc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)sc1C 252022257 ZIDVWOQYNDEBLD-WMGWYHAVSA-N 397.500 3.653 0 40 GHAB CC1(C)CCc2ccccc2[C@H](NC(=O)c2cccc(Nc3nn[nH]n3)c2)C1 1138813799 CDWLPDXBDWLZOD-GOSISDBHSA-N 376.464 3.777 0 40 GHAB CCN1CCO[C@@H](CNC(=O)Nc2cccc(N(C)C)c2C)[C@@H]1c1ccccc1 666571779 AKKVMZALYPSEBO-VXKWHMMOSA-N 396.535 3.645 0 40 GHAB O=C1CCCc2cc(C(=O)N(Cc3ccc(F)cc3)C3CCOCC3)ccc2N1 683180581 UMIPWNZMWLOBSI-UHFFFAOYSA-N 396.462 3.922 0 40 GHAB Cc1cc(NC(=O)C[C@@H](n2cccn2)C(F)(F)F)n(-c2ccccc2C)n1 585102506 UZCVXZVOLFPIQC-OAHLLOKOSA-N 377.370 3.818 0 40 GHAB CC(C)=C[C@H]1[C@H](C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)C1(C)C 69740086 ALCQNXZRLCIPBU-FXAWDEMLSA-N 385.504 3.818 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 5509554 GCBZDOKZEHFLPC-KRWDZBQOSA-N 380.488 3.980 0 40 GHAB Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)Cc3ccc(F)cc3)CC2)on1 12118347 IESGFOLIJTYXOA-UHFFFAOYSA-N 394.450 3.836 0 40 GHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl 12544825 CJEBAWYBJVCUJX-UHFFFAOYSA-N 380.897 3.897 0 40 GHAB COc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 14002880 SIBOUVOZCAHATB-UHFFFAOYSA-N 382.460 3.729 0 40 GHAB CCOC(=O)c1cccc(NC(=O)c2cc(Br)ccc2OC)c1 14291398 QLZCIMXTFZFILR-UHFFFAOYSA-N 378.222 3.887 0 40 GHAB Cc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)CN2CCCCCC2)n1 19558430 ZPQUVTHRTCOAER-IBGZPJMESA-N 397.523 3.596 0 40 GHAB Cc1c(-c2csc(NC(=O)CCCn3c(C)nc4ccccc43)n2)cnn1C 19665170 JICGXMFJUOBLID-UHFFFAOYSA-N 394.504 3.929 0 40 GHAB O=C1COc2cc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)ccc2N1 19666513 XWJSCDPBCVHOFH-UHFFFAOYSA-N 396.406 3.880 0 40 GHAB CCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)C1 19706600 RLNPPKPVDLAJFY-GOSISDBHSA-N 396.510 3.993 0 40 GHAB Fc1cccc(-c2ccc(CN3CCC[C@@H]3c3nnc4n3CCNCC4)cc2)c1 19710754 UHUVCMXRFZSHON-OAQYLSRUSA-N 391.494 3.567 0 40 GHAB Nc1ncnc2nc([C@@H]3CCCN3C(=O)c3ccccc3)cc(C(F)(F)F)c12 19742958 ZINKSGIMPUDJPK-AWEZNQCLSA-N 387.365 3.603 0 40 GHAB Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1OCc2cc(Cl)ccc21 653797276 YWKBOMHUSNCCOP-XDQHQWTQSA-N 385.895 3.972 0 40 GHAB CCc1c(C)nc(-n2nc(C3CC3)cc2NC(=O)CC2CCCCC2)[nH]c1=O 12127574 VDBMBJCZAGNEPY-UHFFFAOYSA-N 383.496 3.613 0 40 GHAB CN(C)Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)o1 583615188 PVQUAZOAOZKDFS-IKGGRYGDSA-N 388.899 3.642 0 40 GHAB Cc1noc(C)c1-c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)o1 1889030497 PVCCIOMOVDUVJF-UHFFFAOYSA-N 384.816 3.822 0 40 GHAB COc1ccc(OC)c(-n2nnc(-c3nc(-c4ccc(C)cc4)no3)c2C)c1 7006607 FKUFPJIYPZXOLI-UHFFFAOYSA-N 377.404 3.618 0 40 GHAB Cc1cc(C)cc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2)c1 7508604 GSUYMTXZMFYKMF-UHFFFAOYSA-N 384.439 3.958 0 40 GHAB CN(C)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 9573704 XZSQQIYWNUFWQK-UHFFFAOYSA-N 380.473 3.643 0 40 GHAB COC(=O)c1c(NC(=O)Cc2ccc3c(c2)OCO3)sc2c1CC[C@@H](C)C2 9521472 CENGMFAWHNQTJY-LLVKDONJSA-N 387.457 3.569 0 40 GHAB CCOC(=O)c1sc2nc(SC)nc(-c3cccc(OC)c3)c2c1N 13445671 HSQLIQNRPIMMEP-UHFFFAOYSA-N 375.475 3.848 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(-n2cccn2)nc1 40057888 RJPVGCKJPIVHAL-UHFFFAOYSA-N 386.459 3.641 0 40 GHAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(COc3ccc(Cl)cc3Cl)n21 40114172 DTGDJUOLHACULH-UHFFFAOYSA-N 389.242 3.775 0 40 GHAB O=C(NCc1nnc2ccccn12)c1cc2ccccc2n1Cc1ccccc1F 40143924 OOWVWTLKRHHFME-UHFFFAOYSA-N 399.429 3.801 0 40 GHAB CN(C)CCN(Cc1cccnc1)C(=O)Nc1cccnc1Oc1ccccc1 40151155 ZZBXJITZLJYWRC-UHFFFAOYSA-N 391.475 3.865 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)N3CCc4sccc4[C@@H]3C)CC2=O)cc1 30547999 NXXRTDZAMVZTFX-GJZGRUSLSA-N 384.501 3.646 0 40 GHAB COc1cccc(N2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)c1 31358872 VZNNXBNUHDZPBM-UHFFFAOYSA-N 378.394 3.605 0 40 GHAB COc1ccccc1N1CCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 51085827 YOMCZCGVOIQIQE-GOSISDBHSA-N 380.410 3.570 0 40 GHAB COc1cc(OC)c(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)cc1OC 11410881 WSAKQRNBBHXLAP-UHFFFAOYSA-N 398.333 3.771 0 40 GHAB CCCCc1c(C)nc2nc(SCC(=O)N[C@H]3CCCC[C@H]3C)nn2c1C 59419843 ZOYCMQZTZOBIBG-DYVFJYSZSA-N 389.569 3.871 0 40 GHAB CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cc(Cl)ccn3)sc2C1 36814573 QYXFYTPXLFBKPM-UHFFFAOYSA-N 394.884 3.737 0 40 GHAB COc1ccccc1OCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 6948063 RYMQOQRBNCBLIM-UHFFFAOYSA-N 392.459 3.698 0 40 GHAB Cc1cc(C)cc(OCc2nnc(SCC(=O)NCc3ccccc3)o2)c1 876056 KEHUTWIHXQMQJO-UHFFFAOYSA-N 383.473 3.674 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1C[C@H]1CCCO1 1364606 HOMULWMAVSXTFP-MRXNPFEDSA-N 386.521 3.682 0 40 GHAB O=C(COC(=O)c1ccccc1NCc1ccco1)c1ccc2c(c1)OCCO2 4247104 HPCCDKVCYBAINI-UHFFFAOYSA-N 393.395 3.703 0 40 GHAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 7360673 WZRDWJROPMRNIV-UHFFFAOYSA-N 390.505 3.759 0 40 GHAB Cc1nc2c3ccccc3nc(S[C@@H](C(=O)N(C)C)c3ccccc3)n2n1 32871554 PGVSLFRJQJNPDR-QGZVFWFLSA-N 377.473 3.508 0 40 GHAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)c(F)c1 52537545 CEVMRBDHXJNCGY-UHFFFAOYSA-N 399.363 3.744 0 40 GHAB CCCCC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 8503451 IBIARGGHIFOWNN-QMHKHESXSA-N 395.503 3.692 0 40 GHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccnc(-n2ccnc2C)c1 32931308 REJNFPDNRZFZDR-AWEZNQCLSA-N 384.867 3.621 0 40 GHAB CC(=O)N[C@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C2CCCCC2)CC1 100223330 CPSZZXCUBOXVFI-JZXOWHBKSA-N 377.554 3.823 0 40 GHAB Cc1nc(-c2ccc(CCNC(=O)c3cccc(C(=O)N(C)C)c3)s2)cs1 103065475 JSAIFVMLVXAATN-UHFFFAOYSA-N 399.541 3.854 0 40 GHAB COc1ccc2c(CNC(C)(C)CN(C)Cc3ccccc3)cc(=O)oc2c1 89761688 GMWBZCOPEXRXBT-UHFFFAOYSA-N 380.488 3.802 0 40 GHAB CC(C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn12 12409300 SOCWWUQRXZGZAF-HNNXBMFYSA-N 399.303 3.712 0 40 GHAB COc1cc(Cl)c(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1OC 23054157 FPIWOUMEWRLCCT-ZDUSSCGKSA-N 394.880 3.662 0 40 GHAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H](C)c1ccccc1 3018422 MHXHQIGCWWTWEK-HRAATJIYSA-N 378.472 3.952 0 40 GHAB O=C(CCn1cnc2ccccc21)NCc1cc(Cl)c2c(c1)OCCCO2 12506113 UKCRDTRVOOGSCJ-UHFFFAOYSA-N 385.851 3.558 0 40 GHAB Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(N)=O)cc2)c1 12551479 NDTGYPZHUYYLKF-QFIPXVFZSA-N 387.439 3.630 0 40 GHAB CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 12544810 AAWTYUXGDOVVCH-UONOGXRCSA-N 392.443 3.689 0 40 GHAB O=C(Nc1ccc(SC(F)F)cc1)N1CCN(Cc2cccnc2)CC1 43118945 BYGIJGFMCUUUHT-UHFFFAOYSA-N 378.448 3.746 0 40 GHAB COc1cccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@H]3C2(C)C)c1 100265402 CFGOTXDVLACKMZ-JLTOFOAXSA-N 384.505 3.786 0 40 GHAB CN1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)[C@H](c2ccccc2)C1 24929552 PKWSKHGVOJSRHB-UCFODXPJSA-N 398.890 3.640 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 113966749 LLEHMHWBWWFXOM-CQSZACIVSA-N 378.469 3.742 0 40 GHAB Cc1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c(C)c1 113964848 ZVNOBBVKVAYLKD-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB OC[C@@H]1CCCN(Cn2nc(-c3ccccc3)n(-c3ccc(F)cc3)c2=S)C1 3277927 ACSDSANGDJTDTB-MRXNPFEDSA-N 398.507 3.871 0 40 GHAB CC(C)[C@H](CNC(=O)c1cc2ccccc2oc1=O)N1CCc2ccccc2C1 25536488 KHPOBYOUXIESHF-NRFANRHFSA-N 390.483 3.606 0 40 GHAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)C(=O)[C@@]4(C)CC[C@@H]32)C1 118930667 RWUHRLQWZKUBTF-ZQXFIESJSA-N 388.504 3.992 0 40 GHAB C[C@]1(C(=O)NC(=S)Nc2ccccc2Br)CC1(Cl)Cl 3258905 SOUJAUUWJCFYPJ-LLVKDONJSA-N 382.110 3.846 0 40 GHAB COCCn1cc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c2ccccc21 57419992 ONLXAPHLIAOPCK-UHFFFAOYSA-N 394.471 3.503 0 40 GHAB biogenic C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 5998175 SMXUTZHNUHUCOD-LLVKDONJSA-N 395.326 3.727 0 40 GHAB CN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)[C@@H]1CCc2ccccc21 26915765 GEJBGIFHWLEVMX-GOSISDBHSA-N 396.491 3.727 0 40 GHAB CC[C@H](CNC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 57987121 MAXOTFACUYPUHG-QGZVFWFLSA-N 378.476 3.800 0 40 GHAB CCOc1ncccc1NC(=O)c1cc2c(OCC)cc3c(c2[nH]1)O[C@H](C)C3 58162682 ZHWYZZQIUTVEBF-GFCCVEGCSA-N 381.432 3.936 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCOc3c(Cl)cccc32)C1 58168737 ZEOGDKNJZSFTIY-CJNGLKHVSA-N 378.900 3.565 0 40 GHAB COc1ccc([C@H](CNC(=O)c2cc(Cl)cn2C)N2CCCCC2)cc1 27668841 IIGUBPIXZABCIE-IBGZPJMESA-N 375.900 3.644 0 40 GHAB CC(C)Cc1ccc(CC(=O)Nc2ccccc2CN2CCC[C@@H]2C(N)=O)cc1 58306657 ZOISEMDIHINDCT-JOCHJYFZSA-N 393.531 3.516 0 40 GHAB CN1CCc2cc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)ccc21 58343045 AAPDYJUXRMWVFE-UHFFFAOYSA-N 382.851 3.954 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccccc2)cc1 408645078 JIMXZWRMFJCWHE-NTEUORMPSA-N 381.428 3.839 0 40 GHAB COc1ccc2c(Cn3cc(C(F)(F)F)cc(Cl)c3=O)cc(=O)oc2c1 3341746 JPFYAUZJLMRBOI-UHFFFAOYSA-N 385.725 3.684 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(OC(C)C)cc2)cc1 12770671 KCRGCYPSCMYFQW-OAQYLSRUSA-N 396.487 3.576 0 40 GHAB CCCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccc(C)cc1 2326992 XGCGAYMVBVLCBY-ZHZULCJRSA-N 375.472 3.784 0 40 GHAB C[C@H](NCc1ccccc1CN1CCCCC1)C(=O)Nc1ccc2c(c1)OCO2 12750378 UEHPGFHPDGWLBZ-KRWDZBQOSA-N 395.503 3.518 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)CSc2ccccc2C(=O)O)c1 12759197 HVPVSAIDMAWWHK-UHFFFAOYSA-N 386.473 3.598 0 40 GHAB C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)C1 11019961 VRWRNINTRZVOPG-MRXNPFEDSA-N 396.516 3.937 0 40 GHAB Cc1ccc(-n2c(S[C@@H](C)C(=O)NC(C)(C)C)nnc2N2CCCC2)cc1 11135399 UQUXFOPERCDSLL-HNNXBMFYSA-N 387.553 3.571 0 40 GHAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(-n2cccn2)nc1 48264917 LOMNDPBXMRLUNY-UHFFFAOYSA-N 377.835 3.707 0 40 GHAB Cc1ccc(C(=O)C2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 48368240 QEDIEOHCPBOGCD-JOCHJYFZSA-N 376.500 3.910 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc2c(c1)CCC2 12854506 QPZRSYLPVOQDPD-UHFFFAOYSA-N 384.501 3.521 0 40 GHAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)Cn2c(C)csc2=O)n1 12855191 GRDFEYJYDOQVEI-UHFFFAOYSA-N 384.486 3.770 0 40 GHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccc(F)cc1F 12971463 GRHSAHLVQARPGI-STQMWFEESA-N 378.444 3.756 0 40 GHAB O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 13013039 JOEJOXGYIBVYHN-UHFFFAOYSA-N 399.299 3.599 0 40 GHAB O=C1C[C@@H](C(F)(F)F)N(C(=O)CN2CCCCCCC2)c2ccccc2N1 13002784 PMSDTAWBTHRIMS-INIZCTEOSA-N 383.414 3.559 0 40 GHAB COc1cccc(N2C[C@H](C(=O)Nc3cccc(OC(F)(F)F)c3)CC2=O)c1 13016919 CRFWTTHKWPOBLI-GFCCVEGCSA-N 394.349 3.585 0 40 GHAB Cc1cc(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)c(C)n1Cc1ccco1 7046852 GHYAMBGZLGTRHD-UHFFFAOYSA-N 382.460 3.638 0 40 GHAB CCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3cc(C)on3)cc2)cc1 15319088 CHXJUVXPMYYCPR-UHFFFAOYSA-N 394.431 3.685 0 40 GHAB C[C@@H](NC(=O)c1cc2c(nc3sccn32)s1)c1ccc2c(c1)OCCO2 7138546 BRWJWZOHFSVGOA-SNVBAGLBSA-N 385.470 3.873 0 40 GHAB Cn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1C1CC1 7235250 FSAJXBPVDXSVIB-UHFFFAOYSA-N 389.481 3.686 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 15603947 MYEHKUVPPKTGEF-OAQYLSRUSA-N 378.472 3.728 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(C)=O 6000331 DHXCSMFZFVVRPO-UHFFFAOYSA-N 398.278 3.851 0 40 GHAB Cc1nc2cc3c(cc2n1CC(=O)Nc1ccc(F)c(Cl)c1)OCCO3 64794946 MEURSPFHQSXJFI-UHFFFAOYSA-N 375.787 3.547 0 40 GHAB Cc1cccc(NC(=O)[C@@H](C)n2nnc3sc4c(c3c2=O)CCCC4)c1C 5183391 GPZKONROSJLJKK-CYBMUJFWSA-N 382.489 3.548 0 40 GHAB COc1ccc([C@@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)N(C)C)cc1 5290424 MYTDKCYIMXIGCF-YEWRBRKMSA-N 377.828 3.684 0 40 GHAB CC1CCC2(CC1)NC(=O)N(CN(Cc1ccccc1)CC(F)(F)F)C2=O 14198122 OPGRFUWOGBJMGN-UHFFFAOYSA-N 383.414 3.509 0 40 GHAB O=C(CSc1ncccn1)Nc1ncc(Cc2ccc(Cl)cc2)s1 4510862 WGSGXDSIMLBCIH-UHFFFAOYSA-N 376.894 3.908 0 40 GHAB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c(C)c1 14426447 UTHIZXOSDMWKGN-UHFFFAOYSA-N 380.897 3.768 0 40 GHAB CCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 4739574 PTUIHGCCKFUDJK-UHFFFAOYSA-N 392.249 3.986 0 40 GHAB CC/C(Nc1cccc(F)c1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 5625236 RCKQEBDCIZMTKC-FOCLMDBBSA-N 387.798 3.838 0 40 GHAB CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CC)c1ccccc1 8427857 NMBQISCJAPNUTE-HNNXBMFYSA-N 381.501 3.950 0 40 GHAB Cc1csc(N(C(=O)Cn2cnc3sccc3c2=O)c2ccccc2)n1 6879832 SVFHKHWLDARKNU-UHFFFAOYSA-N 382.470 3.588 0 40 GHAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1nc(-c2ccccc2)cs1 18076867 VCEDXWPLQDJAOZ-UHFFFAOYSA-N 384.486 3.575 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)O[C@@H](C)C(=O)Nc1ccc(C)cc1 18746195 UAHYGZXUFYALTJ-KKSFZXQISA-N 392.455 3.829 0 40 GHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(C4CC4)nn3C(C)(C)C)c2)n1 84068191 QHGUGQQMYLDHHL-UHFFFAOYSA-N 391.475 3.827 0 40 GHAB C[C@H](OC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccccc1C(F)(F)F 89905783 MOJWSUBWGLIAHO-LBPRGKRZSA-N 378.350 3.663 0 40 GHAB O=C(Cc1ccccc1C(=O)O)Nc1nc(-c2nc3ccccc3[nH]2)cs1 71281860 SJAILQBVMWPJTC-UHFFFAOYSA-N 378.413 3.566 0 40 GHAB CCc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccccc3)s2)CC1=O 9199221 DZQKGXBFQLMJKL-MRXNPFEDSA-N 392.484 3.873 0 40 GHAB C[C@@H](NC(=O)/C=C/c1cc(Br)cs1)[C@H](O)Cc1ccccc1 84139691 SQKYUSHIAPEODH-KRDNCVPESA-N 380.307 3.632 0 40 GHAB O=C(CSc1nncn1-c1ccccc1F)c1cccc(N2CCCC2=O)c1 9365134 MSZPTJQSCOTFJI-UHFFFAOYSA-N 396.447 3.508 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)s1 9479342 KZGFFZUYROFPLZ-UHFFFAOYSA-N 398.406 3.534 0 40 GHAB CCCN(CCC)c1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(N)n1 71771640 LBZHBYGSVWKYPS-UHFFFAOYSA-N 376.526 3.641 0 40 GHAB CN(Cc1ccccc1OCC(F)(F)F)[C@@H]1CCN(c2ccccc2)C1=O 72305159 VHXOLEHRDNVVCU-QGZVFWFLSA-N 378.394 3.865 0 40 GHAB O=C(NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)c1cc2ccccc2[nH]1 98212563 BFOHRSFYTOPNMZ-UHFFFAOYSA-N 385.471 3.957 0 40 GHAB O=C1Nc2cc(F)ccc2[C@]12CC(O)=Nc1c2cnn1-c1ccccc1Cl 20744375 ZIUIMHLREMXODX-IBGZPJMESA-N 382.782 3.895 0 40 GHAB CCOc1ccc(-c2c(C)s/c(=N\S(=O)(=O)c3ccccc3)n2C)cc1 409206812 QDXAAXMEUBIQPQ-VXPUYCOJSA-N 388.514 3.750 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 408560761 FARAJJOORGRENS-UHFFFAOYSA-N 395.912 3.692 0 40 GHAB CC(C)(C)NC(=O)c1nc([C@@H]2CCCN2Cc2ccccn2)n2ccccc12 306138060 RNYSLLLJBDSVCK-SFHVURJKSA-N 377.492 3.595 0 40 GHAB Cc1cc2n(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c3ccccc3n2n1 32909134 BXAYMTPQUNAFQS-UHFFFAOYSA-N 380.835 3.558 0 40 GHAB Cc1nnsc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1 38839585 JKSWVJOKTNYMRP-JTQLQIEISA-N 394.909 3.935 0 40 GHAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCc1ccc2c[nH]nc2c1 504987498 ZSVCJMATAHHLDJ-IBGZPJMESA-N 380.496 3.772 0 40 GHAB O=S(=O)(c1ccc(Cc2nc(-c3ccccc3)no2)cc1)N1CCCCC1 518325396 XELDSOYLRHVQJS-UHFFFAOYSA-N 383.473 3.502 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3cc(C)no3)c3c(C)nn(C)c3n2)cc1 36614311 NFKUNGWTJHUNSE-UHFFFAOYSA-N 377.404 3.501 0 40 GHAB COc1ccccc1OCCn1c([C@@H]2CCCN2C(C)=O)nc2ccccc21 33317702 XNIFSIDFEBVHDV-IBGZPJMESA-N 379.460 3.807 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2C[C@H]2C)C1 72388963 RJCHLFOPPYKXKL-QRFQSNJMSA-N 382.529 3.578 0 40 GHAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 70674781 BLZZSBMDCQPETG-UHFFFAOYSA-N 382.489 3.932 0 40 GHAB COc1ccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1 36635857 NXQPMCFVKKERRF-ZDUSSCGKSA-N 395.242 3.755 0 40 GHAB C[C@H](NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)c1csnn1 563331893 ZCOCHXNQJWGTGM-QMMMGPOBSA-N 391.444 3.664 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)N[C@@H](C)c3ccc(F)cc3)n2)cc1C 41254985 RHEWISHKFWMNIB-KRWDZBQOSA-N 393.462 3.934 0 40 GHAB COCc1cccc(CNC(=O)[C@H](C)Oc2ccc(F)cc2Br)c1 40114024 HLIMSHDOJSAKHQ-LBPRGKRZSA-N 396.256 3.818 0 40 GHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)c2ccc3nsnc3c2)C1 77200225 NIJZYGQSGIXUPZ-HZPDHXFCSA-N 396.472 3.981 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 222536874 VSQBSFDTKOSEIX-AWEZNQCLSA-N 376.909 3.595 0 40 GHAB O=C(NCCc1ccccc1)c1cc2c(s1)CCN2C(=O)c1ccccc1 96146785 DKLPIWXRMZLRFI-UHFFFAOYSA-N 376.481 3.924 0 40 GHAB Cn1cccc1C(=O)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 96038182 JTANAWNLTZZKLF-UHFFFAOYSA-N 385.471 3.755 0 40 GHAB CS(=O)(=O)Nc1ccc(NC(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)cc1 581932874 QOZVSIFCVDKQSL-LJQANCHMSA-N 399.516 3.860 0 40 GHAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc21 96183047 QKOPRXOQQUGBKZ-UHFFFAOYSA-N 394.443 3.800 0 40 GHAB COc1cccc(-c2cnc3n2CCC32CCN(C(=O)c3ccncc3)CC2)c1 96263418 DBCWJLGQVYIYID-UHFFFAOYSA-N 388.471 3.531 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 242799030 FCWKITFFRBGTNY-UHFFFAOYSA-N 396.468 3.884 0 40 GHAB COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cn1nc(-c2ccc(C)cc2)[nH]c1=S 245225492 WAQONBKFBKDSSV-ZACQAIPSSA-N 386.521 3.680 0 40 GHAB COc1ccc2onc(CC(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)c2c1 584579368 LQPQCTXETPHRDU-MRXNPFEDSA-N 382.382 3.960 0 40 GHAB COc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)cc1 257229030 FWJSYLMVJZVMIJ-SKPFHBQLSA-N 395.547 3.858 0 40 GHAB C[C@@](CO)(NC(=O)c1cn(C2CCCC2)c2ncnc(Cl)c12)c1ccccc1 1155888474 AWBSIUVNYGZQQH-NRFANRHFSA-N 398.894 3.837 0 40 GHAB COc1ccccc1OCC(=O)N(Cc1cnc2ccccn12)c1ccccc1 96102995 TYWFYMMVTLNFEP-UHFFFAOYSA-N 387.439 3.955 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)Nc1ccccc1Cc1nc(C2CC2)no1 96119614 YCXMLAFZBOTNQT-UHFFFAOYSA-N 392.415 3.588 0 40 GHAB O=C(NCCN1CCOCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1F 1615055880 FBLRCBVWYPJDFE-UHFFFAOYSA-N 397.277 3.862 0 40 GHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(C(C)C)cc2)C1=O 8088195 CJGOYAYJHKKKFZ-DEDYPNTBSA-N 391.471 3.904 0 40 GHAB C[C@@H](C(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1)c1ccccc1 12129540 CTMVEMXFQHQTIV-AEFFLSMTSA-N 393.512 3.939 0 40 GHAB CCn1c(=O)n(CC)c2cc(CN(Cc3sccc3C)C[C@@H](C)O)ccc21 12185489 BTRULNSONGKSMJ-MRXNPFEDSA-N 387.549 3.596 0 40 GHAB Cc1cccc(-c2ccccc2C[C@@]2(C(N)=O)CCN(C(=O)c3ccccn3)C2)c1 19235505 NWGKUPDDIMJIFA-VWLOTQADSA-N 399.494 3.617 0 40 GHAB Cc1ccccc1OC[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)C1 19237321 BJUYTUBSXUYUMV-MSOLQXFVSA-N 397.471 3.809 0 40 GHAB O=S(=O)(c1cccc(F)c1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 19331096 PPDHATRYUSMVSH-LBPRGKRZSA-N 393.465 3.506 0 40 GHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCC2)C1 19591390 SCNVGRAZEMVDBJ-JOCHJYFZSA-N 382.529 3.722 0 40 GHAB COc1cc(NC(=O)COc2ccc(Cl)cc2C)cc2sc(NN)nc12 226313360 YROCOMYVVGDZMW-UHFFFAOYSA-N 392.868 3.570 0 40 GHAB CC(C)N1CC[C@@H](N2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)C1=O 1888876159 TYLKJCKEXDLCIK-WMLDXEAASA-N 388.512 3.533 0 40 GHAB Cc1ccccc1OC[C@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 24204779 WGBFJMSTQCOKEB-LJQANCHMSA-N 394.437 3.576 0 40 GHAB CC(=O)Nc1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 32678941 NBVGIPYFPUPXKS-UHFFFAOYSA-N 380.444 3.959 0 40 GHAB COc1cccc(NC(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)c1 1776008544 FXTWGAUTUUXVFA-UHFFFAOYSA-N 396.369 3.579 0 40 GHAB O=C(c1cc2ccccc2oc1=O)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 244909792 AVSRLQZBOFJTCH-CYBMUJFWSA-N 393.424 3.534 0 40 GHAB CC(C)C(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc21 5136601 OXHZTGVUBDSXDY-UHFFFAOYSA-N 394.443 3.701 0 40 GHAB O=C(CSc1nnc2ccc(-c3ccccc3)nn12)Nc1ccc(F)c(F)c1 5167379 IVRWMMQGXBBSLQ-UHFFFAOYSA-N 397.410 3.800 0 40 GHAB COc1ccc(CCC(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1 5222378 VDAXEJDXVNRAES-UHFFFAOYSA-N 379.456 3.654 0 40 GHAB CCn1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(OC)cc3s2)n1 11696670 YHKJSESQFSMPFZ-UHFFFAOYSA-N 393.472 3.763 0 40 GHAB COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(C)cc3C)[C@@H](C)Nc3ncnn32)cc1 11694800 WPDARXISPCFSHX-CDHQVMDDSA-N 391.475 3.562 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H]1CCCN1c1ccccc1 207988803 WOLUUQIHLYDAJA-IBGZPJMESA-N 378.451 3.625 0 40 GHAB COC(=O)c1c(NCc2cccc(Br)c2)c2ccccc2[nH]c1=O 49001565 WDLAFNWNGZXVFB-UHFFFAOYSA-N 387.233 3.689 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)cc2)c1 5234513 SXNQFFNODNIXQI-UHFFFAOYSA-N 380.897 3.931 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(Cl)cc1 40130235 UQFNYMLXNFLRHJ-TZMCWYRMSA-N 379.291 3.877 0 40 GHAB CC(=O)c1c[nH]c(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1 40108134 KXSIDEGRNKTAKN-FQEVSTJZSA-N 393.512 3.808 0 40 GHAB O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCC(c2nc3ccccc3s2)CC1 7777740 YDLSAIPMIIWTCU-INIZCTEOSA-N 397.544 3.793 0 40 GHAB CCOc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 11480295 XOSJHZDQVNERNS-NSHDSACASA-N 382.338 3.683 0 40 GHAB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 11512834 HHGBISNKAUFKQW-INIZCTEOSA-N 396.487 3.593 0 40 GHAB COc1ccc(Cc2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)o2)cc1 11650401 XMSPFXLYJJEDHI-LBPRGKRZSA-N 394.456 3.759 0 40 GHAB CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 791897 DVGBWSRGHOZYJX-SFHVURJKSA-N 386.517 3.597 0 40 GHAB O=C1CCCc2c1cc(C(=O)Nc1ccc(Cl)cn1)c(=O)n2-c1ccccc1 809762 CKGRGRYMQAGZQI-UHFFFAOYSA-N 393.830 3.657 0 40 GHAB COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2ccccc2)c1C 870721 LOUUTPWQAQYNGM-UHFFFAOYSA-N 384.413 3.941 0 40 GHAB CC(C)N(C(=O)CSc1nnc(NC(=O)C2CCCCC2)s1)C(C)C 1371438 ATDALFLTYRQUAG-UHFFFAOYSA-N 384.571 3.794 0 40 GHAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@H](Cc1ccccc1)C(=O)O 2042186 HYPICOQOBKGXGA-QGZVFWFLSA-N 375.852 3.620 0 40 GHAB Cc1ccc(Nc2nnc(SCC(=O)NC(=O)NC(C)(C)C)s2)cc1C 3536502 QWLWQPOQLCDMKC-UHFFFAOYSA-N 393.538 3.615 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)N2CCC(C)CC2)n1CC(C)C 4860278 WJNVRMZDVQTPIX-UHFFFAOYSA-N 376.526 3.853 0 40 GHAB CCCCn1c(SCC(=O)Nc2cccc(O)c2)nc2ccccc2c1=O 4187593 HUYQFRJOWJNBMP-UHFFFAOYSA-N 383.473 3.633 0 40 GHAB CSc1ccccc1NC(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C 6333123 BXRVYYGYVFGLHH-UHFFFAOYSA-N 395.575 3.776 0 40 GHAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1cc(F)ccc1F 6876326 QZNADCNPURXIPV-UHFFFAOYSA-N 388.326 3.504 0 40 GHAB Cc1ccccc1OCCSc1nnc(-c2ccc(OC(F)F)cc2)n1N 21122813 OVUBJPIRSDKJBH-UHFFFAOYSA-N 392.431 3.740 0 40 GHAB Cc1cccc([C@H](CC(=O)N(C)Cc2c(F)cccc2Cl)NC(N)=O)c1 32796488 VZONAJQEBDBVEJ-KRWDZBQOSA-N 377.847 3.546 0 40 GHAB Cc1c(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)sc2ccccc12 32776507 SNAYEZHXCNEFLF-GFCCVEGCSA-N 395.436 3.969 0 40 GHAB COCCn1c(SCC(=O)Nc2cccc(Br)c2)nc(C)c1C 32893874 XOZVITHNSUMMFS-UHFFFAOYSA-N 398.326 3.640 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)N3CCc4ccccc43)c12 32869358 JJWFCWPTDKKTSU-CYBMUJFWSA-N 391.427 3.543 0 40 GHAB COc1ccc([C@@H](CNc2nn3cnnc3c3ccccc23)N2CCCC2)cc1 21798686 LPSLUJIBAIQQKV-HXUWFJFHSA-N 388.475 3.535 0 40 GHAB Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccncc2)C1=O 102731041 ISIBQCTYOALSME-ILWGZMRPSA-N 399.450 3.750 0 40 GHAB COCCn1c(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2ccccc21 104105193 MMSHLOPLBBIOIH-QZWWFDLISA-N 387.549 3.716 0 40 GHAB COc1ccc([C@@H]2CCCCCN2Cc2ccc(S(=O)(=O)N(C)C)o2)cc1 47331360 MQTXQRPCVKIDAJ-IBGZPJMESA-N 392.521 3.656 0 40 GHAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 8128378 NXVXBZNWOGEPMC-CQSZACIVSA-N 395.908 3.698 0 40 GHAB CC(C)OC(=O)c1ccc(Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 958834 BUCQMZAOZKHALR-CYBMUJFWSA-N 397.500 3.591 0 40 GHAB Cc1ccc2nc(C)c(C(=O)N3CCC(C(=O)Nc4ccncc4)CC3)cc2c1 24702851 DZFFZWORIGRBKU-UHFFFAOYSA-N 388.471 3.738 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1C 22340931 MLCOPKINAIFFSP-GOSISDBHSA-N 388.533 3.564 0 40 GHAB COc1ccc(CCC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1OC 25038635 JLCIWIPPCXLPMU-UHFFFAOYSA-N 399.472 3.843 0 40 GHAB COc1ccc(Nc2nnc(SCC(=O)N3CCC(C)CC3)s2)cc1 3294042 FZSUDBZSUICYOK-UHFFFAOYSA-N 378.523 3.641 0 40 GHAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 25916138 OQTLXRYJFRZNIQ-BBWFWOEESA-N 376.522 3.933 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCCO2 27388905 NTBAGICHMGUGQM-OAHLLOKOSA-N 382.460 3.557 0 40 GHAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccc3c(c2)OCO3)no1 27364673 VASWGRHXNQRJCC-HXUWFJFHSA-N 379.416 3.524 0 40 GHAB COc1cccc(N2C(=O)c3ccccc3N[C@]23C(=O)N(C)c2ccccc23)c1 58180212 PBWUFYYYELKTPA-QHCPKHFHSA-N 385.423 3.597 0 40 GHAB CCN(CCC(F)(F)F)C(=O)Cc1csc(NC(=O)c2ccoc2C)n1 58155133 REGZKWAKJFLUGM-UHFFFAOYSA-N 389.399 3.640 0 40 GHAB O=C(Nc1ccnc2ccc(Cl)cc12)c1ccc(N2C(=O)CCC2=O)cc1 16839906 BNCOSESMBAYKRC-UHFFFAOYSA-N 379.803 3.794 0 40 GHAB CC1(C)CC[C@@H](NC(=O)CCc2nc(-c3ccncc3)no2)c2ccccc21 58225567 JDEYACMSCAQNNU-GOSISDBHSA-N 376.460 3.993 0 40 GHAB COc1cc(C)c(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 408549109 PFPYSDLGNXBMCZ-SXGWCWSVSA-N 386.835 3.759 0 40 GHAB CS(=O)(=O)Cc1cccc(Nc2nc(C(F)(F)F)nc3ccccc23)c1 58545877 KADJUXPGVKYWKU-UHFFFAOYSA-N 381.379 3.937 0 40 GHAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(N(C)C)cc1 2371391 FWDHEXSLYOOVST-FNZWTVRRSA-N 376.437 3.838 0 40 GHAB Cc1cc(N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)nc(C(C)C)n1 12795609 WGRNCMBBOUNROR-UHFFFAOYSA-N 390.890 3.592 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2)N1C[C@@H]1CCCO1 2402748 YCPBUPMWTWFIAD-KXBFYZLASA-N 379.387 3.656 0 40 GHAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCCCCC3)c2C1 3464897 WPCUWXMZFDNLTJ-INIZCTEOSA-N 380.488 3.919 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1cc(Cl)cc(Cl)c1 3450390 YDVNRWDZNSHYGY-UHFFFAOYSA-N 384.263 3.577 0 40 GHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC(=O)Nc1cccc(Cl)c1C 12997932 MSVKJDPVCJUCBD-UHFFFAOYSA-N 399.882 3.651 0 40 GHAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 6060624 QCRQDALWHTXWPX-UHFFFAOYSA-N 382.199 3.576 0 40 GHAB O=C1C[C@]2(CC(c3ccc(Cl)cc3Cl)=NO2)C(=O)N1c1ccccc1 5071954 OLNREBMBBBDSBN-GOSISDBHSA-N 375.211 3.820 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C[n+]1cccc(C(N)=O)c1 17197610 AREVPJAUQFATLC-ZNLUXHQJSA-O 395.523 3.739 0 40 GHAB COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)O)cs3)n2)cc1OC 5243336 KIWRHLRLNHTVSE-UHFFFAOYSA-N 399.350 3.730 0 40 GHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)NCC12CC3CC(CC(C3)C1)C2 5209653 GLLMERSVDPURTG-UHFFFAOYSA-N 382.533 3.896 0 40 GHAB Cn1cc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3cnn(C)c3)C2)cn1 13960627 SATVSKURZDKFJY-LJQANCHMSA-N 389.488 3.633 0 40 GHAB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1c(C)cc(C)cc1C 6602126 XYMXMUQLYNTNNO-UHFFFAOYSA-N 383.492 3.520 0 40 GHAB CN1CCN(c2nc(NC3C4CC5CC(C4)CC3C5)c3ccccc3n2)CC1 4740973 ZTEKXNZYLQLTJR-UHFFFAOYSA-N 377.536 3.618 0 40 GHAB C[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)c1ccc(C(F)(F)F)cc1 66313032 DLPFJTZKSMVLQV-UGSOOPFHSA-N 390.405 3.638 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Br)ccc2O)cc1 4807979 NEVROHDRGNUQMQ-LLVKDONJSA-N 378.222 3.647 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)c1ccccc1 8726546 IOGZCVLNZZDYSB-OAQYLSRUSA-N 385.419 3.932 0 40 GHAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 7214313 XRHLZDYBRSFWFD-SFHVURJKSA-N 395.484 3.883 0 40 GHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Br)cc1F 7491944 FFULYIGQZSEYTQ-UHFFFAOYSA-N 377.213 3.967 0 40 GHAB Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1cc2ccccc2o1 9306072 GGDVCNUXTJDUCQ-UHFFFAOYSA-N 378.457 3.637 0 40 GHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCNC(=O)c1ccccc1OC 71844187 JQHRYHDBKXURCL-PZJWPPBQSA-N 394.515 4.000 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 113940286 MCXZAYFYFHXXII-CYBMUJFWSA-N 396.896 3.532 0 40 GHAB COCC1(C)CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 95459681 OSWDCGMVYCPRRN-UHFFFAOYSA-N 391.581 3.558 0 40 GHAB CCc1ccc(NS(=O)(=O)c2ccc(NC(=O)N(CC)CC)cc2)cc1 408562069 MPGIHJQCMVYUIQ-UHFFFAOYSA-N 375.494 3.924 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2N1Cc1ccc(F)cc1 306129171 HWGPXEURTVRUQT-YADHBBJMSA-N 393.437 3.848 0 40 GHAB Cc1nccn1-c1ccccc1CNC(=O)COc1cccc(C(F)(F)F)c1 61624288 TWNMSXFJKMMOBH-UHFFFAOYSA-N 389.377 3.895 0 40 GHAB O=C(Nc1cccc(NC(=O)c2ccc(Br)o2)c1)c1cccnc1 31967159 WHVBZXNHQYLICH-UHFFFAOYSA-N 386.205 3.942 0 40 GHAB CCN(CC)C(=O)CN1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72348763 QEVRARZCQYGYGK-UHFFFAOYSA-N 383.511 3.859 0 40 GHAB COc1ccc(/C=C/C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1OC 44899701 PSJRALZDHGWCRJ-YRNVUSSQSA-N 377.444 3.528 0 40 GHAB O=C(Cc1noc2ccc(F)cc12)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 573187838 UFJKOKCKOMSIKW-GGPKGHCWSA-N 380.419 3.541 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1Cl 223603279 GPBWILRKTCPRSY-UHFFFAOYSA-N 391.876 3.859 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCc1ccc(CN2CCCCC2)cc1 44874796 BCYBZKOGWQVLEO-UHFFFAOYSA-N 392.952 3.946 0 40 GHAB COc1ccccc1CNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40140267 WYAFWLIMIJBFDN-UHFFFAOYSA-N 383.398 3.578 0 40 GHAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NC(=O)CS(=O)(=O)CCCc1ccccc1 195529275 NLGYPDXYXUYQOI-IHPCNDPISA-N 379.566 3.611 0 40 GHAB COc1ccccc1[C@H]1CC(=O)N(c2cccc(F)c2)c2c1sc(=O)n2C 49548185 YLMGYUVAHCLTLY-OAHLLOKOSA-N 384.432 3.795 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 224310644 UARWPCNCNGJEEN-IBGZPJMESA-N 388.895 3.662 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 223019949 IMBCFZZXAJDGTJ-PMACEKPBSA-N 396.491 3.630 0 40 GHAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1Cl 48278997 RYYPVIFCBDPMED-UONOGXRCSA-N 395.908 3.697 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 225060985 KZNGVKALKATLPM-HXUWFJFHSA-N 396.531 3.832 0 40 GHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(c2ccc(F)cc2)CC1 223329102 QICQPSBEVOCYTF-QGZVFWFLSA-N 382.479 3.821 0 40 GHAB Cc1ccccc1-c1noc(CNC(=O)COc2ccc3c(c2)CCCC3)n1 223340756 GLLBMVUPCVAWDJ-UHFFFAOYSA-N 377.444 3.619 0 40 GHAB COc1ccc(-c2noc(C(=O)O)c2[C@@H](C)NC(=O)NC2CCCCC2)cc1 96296879 FBBJFTYETDOIRN-GFCCVEGCSA-N 387.436 3.741 0 40 GHAB biogenic,in-vitro O=C(Cn1ccc2ccc(Br)cc21)Nc1ccc2c(c1)COC2=O 95474402 BPGMISZEOGDDQD-UHFFFAOYSA-N 385.217 3.713 0 40 GHAB Cc1c(C)n(C)c2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc12 257326705 WYFZMNJPGVEKFF-UHFFFAOYSA-N 376.865 3.567 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccccc2OC)[C@@H]1c1ccccc1F 257269141 MOSWCMCJEVILLI-GCJKJVERSA-N 398.478 3.793 0 40 GHAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1ccc(OC(F)(F)F)cc1 253471810 FTVPJPZYKOYMBA-QGZVFWFLSA-N 397.374 3.906 0 40 GHAB COc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1cc(C(C)C)oc1C 585081705 KJVRIBJOXFNCFL-UHFFFAOYSA-N 385.508 3.720 0 40 GHAB COCC(=O)N1CCC2(CC1)CN(Cc1ccsc1)C[C@H]2c1ccccc1 257279790 OIEQZRRRIZTIJH-FQEVSTJZSA-N 384.545 3.603 0 40 GHAB COc1ccccc1C1(C(=O)NC[C@@](O)(c2ccsc2)c2cccs2)CC1 253401751 NLWXUOHJHFFJHO-OAQYLSRUSA-N 399.537 3.902 0 40 GHAB O=C(c1cccs1)c1ccc(CNS(=O)(=O)c2ccccc2F)s1 90610590 FBYVTWBDKXCJAP-UHFFFAOYSA-N 381.475 3.658 0 40 GHAB CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)N[C@@]34CCC[C@@H]3C4)cc2)c1 666134595 BDJVMJHQLMPNIY-JLTOFOAXSA-N 386.473 3.947 0 40 GHAB CCO[C@@H]1CCCC[C@H]1n1cc(-c2csc(C3(OC)CCOCC3)n2)nn1 606445989 DGOOICJXJFFTBC-IAGOWNOFSA-N 392.525 3.574 0 40 GHAB O=C(NCCN1CCC(c2cccs2)CC1)C1(c2ccccc2)CCOCC1 77104052 WSIUARWIGPCNMF-UHFFFAOYSA-N 398.572 3.792 0 40 GHAB COc1ccc(CN(Cc2c[nH]nc2C(C)(C)C)C[C@@H]2CCCO2)cc1OC 12116800 JRGMPTJARFBBDO-SFHVURJKSA-N 387.524 3.906 0 40 GHAB COc1cc2cc(C3CCN(C(=O)c4cnc(C)nc4C)CC3)ncc2cc1C 12188089 QPAMDHMXBNKCKG-UHFFFAOYSA-N 390.487 3.978 0 40 GHAB CCc1c(C)nn(C)c1NC(=O)CCn1c(C(F)(F)F)cc2cccnc21 12222245 ZERPWRRLOOTAMQ-UHFFFAOYSA-N 379.386 3.688 0 40 GHAB O=C(CCC1CCCC1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 12407806 LIQVAUAGXBMSHO-JKSUJKDBSA-N 399.461 3.775 0 40 GHAB COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 14399834 JHHIZZCZZHIBDB-INIZCTEOSA-N 382.460 3.727 0 40 GHAB Cc1c(CCNC(=O)CCc2nc(-c3cccs3)no2)c2ccccc2n1C 19581823 RPIIJHAWTUSCLC-UHFFFAOYSA-N 394.500 3.890 0 40 GHAB CCc1ccccc1NC(=O)CSc1nc(-c2cc(OC)cc(OC)c2)n[nH]1 19928965 FZZLWJVNMFJAGD-UHFFFAOYSA-N 398.488 3.782 0 40 GHAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccccc1OC(F)F)CC3 7156513 CWIFLTRLZXUFCU-FMIVXFBMSA-N 384.338 3.640 0 40 GHAB CCc1nnc(NC(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3)n2)s1 7347675 YIIWSPUPONIHOZ-MDZDMXLPSA-N 399.501 3.894 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)/C=C/c1ccc(F)cc1 5559200 NTQLMTMINZOXAX-RUDMXATFSA-N 391.240 3.665 0 40 GHAB COc1cccc([C@@H]2CN(C(C)=O)[C@H]3CCN(Cc4ccc(C)cc4)C[C@H]32)c1 19210343 XBSSZJQYCLBTJS-HJOGWXRNSA-N 378.516 3.840 0 40 GHAB O=C(Cc1ccccc1)NCC(=O)Nc1cccc(COc2cccc(F)c2)c1 26008406 CWSCRBHULCCGNF-UHFFFAOYSA-N 392.430 3.702 0 40 GHAB Cc1ccc(N2C[C@H](NC(=O)Nc3ccc(OC(F)F)cc3)CC2=O)cc1 5123625 BSHFPZMAJRYNFD-CQSZACIVSA-N 375.375 3.523 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1N1CCCC1=O 5329670 CRYMEUPCNMOULO-UHFFFAOYSA-N 396.468 3.776 0 40 GHAB O=C(COc1ccc(F)cc1F)NCCOc1cccc(C(F)(F)F)c1 23142512 WFBPLZHDFJKKPY-UHFFFAOYSA-N 375.293 3.558 0 40 GHAB CC(C)[C@H](Cn1cncn1)NC(=O)c1ccc2noc(-c3ccccc3)c2c1 575616806 MXDDMYVBENUXQT-IBGZPJMESA-N 375.432 3.541 0 40 GHAB CCCCCn1c(O)c(C(=O)/N=c2\cc(C)cc(C)[nH]2)c(=O)c2ccccc21 5825067 FCMWWBRSNVOFTJ-UHFFFAOYSA-N 379.460 3.583 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 40086555 ATQKQAGZIAKLPK-OAHLLOKOSA-N 378.259 3.940 0 40 GHAB COC(=O)c1cc(-c2csc(NC(=O)C3(c4ccc(F)cc4)CC3)n2)c[nH]1 40059511 UQPCOQANQCMZGV-UHFFFAOYSA-N 385.420 3.734 0 40 GHAB O=C(CCN1C(=O)CSc2ccccc21)OCc1nc2ccccc2s1 7802840 KYRMVZHEQRUALD-UHFFFAOYSA-N 384.482 3.869 0 40 GHAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(c2ccccc2F)CC1 11500306 CXQJEGSEUXSUNO-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)n2C)c1 916556 IFGPMYDMYMWOTR-HZPDHXFCSA-N 388.537 3.584 0 40 GHAB O=C(O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccncc1 1041518 GMWNQDTXFHCFJL-VQTJNVASSA-N 376.387 3.786 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(C)o4)no3)C2)cc1 1364699 AXSUFXOJVZOSLB-HNNXBMFYSA-N 387.461 3.515 0 40 GHAB O=C1c2ccc(Cl)cc2C(=O)N1c1ccc(I)cc1 1436557 IOJALCXDSATGEH-UHFFFAOYSA-N 383.572 3.745 0 40 GHAB COc1ccc([C@H](NC(=O)c2csc(-c3ccco3)n2)c2nccn2C)cc1 29647992 OBYOMRWFUCFQEU-KRWDZBQOSA-N 394.456 3.665 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)NCCCn2nc(C)cc2C)cc1 29605968 HLYRHNXUQLMHQC-UHFFFAOYSA-N 375.472 3.859 0 40 GHAB NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 32111906 NOKBZPNMGZTZHO-UHFFFAOYSA-N 385.467 3.596 0 40 GHAB COc1cccc([C@H]2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C[C@@H]2O)c1 4984600 TZKUEONYTUSAIP-CQAHELDESA-N 384.520 3.524 0 40 GHAB O=C(Nc1nc(CN2CCOCC2)cs1)c1cc2c(F)cccc2s1 21128466 OCJYVXSQHJYKNV-UHFFFAOYSA-N 377.466 3.581 0 40 GHAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)/C=C/c4ccco4)c3)nn12 10010303 CVQZQLYXSNFTNZ-VQHVLOKHSA-N 395.444 3.669 0 40 GHAB Cc1ccccc1NC(=O)COc1ccc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc1 8571344 OJVVVTZALAVXNG-IRXDYDNUSA-N 398.528 3.797 0 40 GHAB COc1ccc(CCC(=O)NCCOc2ccc3ccccc3c2)cc1OC 10993516 ZJFLKVXDEVXTOM-UHFFFAOYSA-N 379.456 3.985 0 40 GHAB CC(C)NC(=O)NCc1ccc(C(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)cc1 29885067 WYAHIKCPLHHICR-DNVCBOLYSA-N 383.492 3.883 0 40 GHAB Cc1cc(C)nc(Sc2ccc(NC(=O)CN3CCCCCC3=O)cc2)n1 58550790 IIIQYWZUTHCUFC-UHFFFAOYSA-N 384.505 3.586 0 40 GHAB O=C(NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccc(F)c1 723273 DOPJOCNSCZVHQU-UHFFFAOYSA-N 391.431 3.686 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)NN(Cc4ccccc4)[C@@H]3C2=O)cc1 100896268 LJNAFHHGVTUUSJ-ZRBLBEILSA-N 397.478 3.615 0 40 GHAB CC(C)N(C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1 12284636 VRGJDSYWDHBWIU-IBGZPJMESA-N 379.504 3.779 0 40 GHAB COc1ccc(C(=O)N2Cc3cc(OC)c(OC)cc3CC2(C)C)cc1OC 921673 XWRKWFFLKWNZQO-UHFFFAOYSA-N 385.460 3.698 0 40 GHAB biogenic CC(C)Oc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1 22380173 WZTUMINPMJFLHZ-UHFFFAOYSA-N 396.896 3.532 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Br 61262324 PKDXUGXLYQGAIF-HNNXBMFYSA-N 397.313 3.507 0 40 GHAB O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCN(c2ccccc2)CC1 25462059 UONWESCGKPXICS-QGZVFWFLSA-N 381.303 3.555 0 40 GHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CCC(Oc2ccccc2F)CC1 100731115 NJRSTVUWSFKMGY-TWVWUCKLSA-N 387.495 3.917 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(-c2ccc(F)cc2)n1 57508661 PPZULVCVKLCDFE-UHFFFAOYSA-N 379.435 3.867 0 40 GHAB Cc1ccn2c(NC(=O)Cn3nnc4ccccc43)c(-c3ccccc3)nc2c1 12548136 FSBUOHXHHBCYEM-UHFFFAOYSA-N 382.427 3.693 0 40 GHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc2c(c1)OCO2 27686323 JYYSGSFXVIGJFM-DOTOQJQBSA-N 395.459 3.537 0 40 GHAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1OC(F)F 25652823 IVDJKMBWRIPZBX-UHFFFAOYSA-N 383.778 3.685 0 40 GHAB O=C(CSc1nnc(NC2CCCCC2)s1)N1CCc2ccccc2C1 3295495 WZSZUHQJIJILMZ-UHFFFAOYSA-N 388.562 3.960 0 40 GHAB CSCC[C@H](NC(=O)Nc1cccc(Cl)c1)c1nnc2ccccn12 11008221 KXJZWRXTRDFESJ-AWEZNQCLSA-N 375.885 3.999 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)C1=Cc2ccccc2CC1 45411258 AFKCVGQWPRFFGY-MRXNPFEDSA-N 394.500 3.577 0 40 GHAB C[C@H]1CCCN(C(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 3264205 MBMVNKPLKUBNTH-JTQLQIEISA-N 394.682 3.827 0 40 GHAB CCN1CCN(c2ncc3c(n2)C[C@H](c2ccc(C(C)C)cc2)CC3=O)CC1 2439623 MFFSGUHHOMHNMJ-IBGZPJMESA-N 378.520 3.655 0 40 GHAB COc1ccc([C@H](CNC(=O)Cc2ccc(Cl)c(Cl)c2)N(C)C)cc1 3354221 PVBZIRUGTAJEDW-SFHVURJKSA-N 381.303 3.964 0 40 GHAB Cc1ccc(SCCNC(=O)CCCNC(=O)NC2CCCCC2)cc1 12772873 MXLAWYLAGXHHRZ-UHFFFAOYSA-N 377.554 3.615 0 40 GHAB COc1ccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)C3CC3)CC2)cc1 48354694 BJPZTQUHPWIBMX-UHFFFAOYSA-N 398.528 3.939 0 40 GHAB O=C(NCCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 8185091 IEUSDKXSWSIOST-UHFFFAOYSA-N 398.459 3.599 0 40 GHAB COc1ccccc1CNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 3554157 VHEBHCFIXORJEX-UHFFFAOYSA-N 380.444 3.738 0 40 GHAB CCCOc1c(Cl)cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OC 13007432 LQMZGRYODZGOBL-UHFFFAOYSA-N 375.812 3.559 0 40 GHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)C1 13115560 ABVSKPIKVNHGHP-GASCZTMLSA-N 390.480 3.745 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)o2)cc1 408527305 MAYJRLZQTBSPNB-UHFFFAOYSA-N 389.408 3.527 0 40 GHAB CNC(=O)C1CCC(NC(=O)NCc2cccc(Oc3ccccc3)c2)CC1 63329992 DVIMECBVMFWBEY-UHFFFAOYSA-N 381.476 3.583 0 40 GHAB CS(=O)(=O)Nc1cccc2c1CCCN2Cc1cc(Cl)nc(Cl)c1 64142021 VNWTXIXGKGMKDC-UHFFFAOYSA-N 386.304 3.713 0 40 GHAB Cc1ccc(C)n1-c1nc(CC(=O)Nc2cccc(N3CCOC3=O)c2)cs1 49675272 KNFGYTHSXFIJPB-UHFFFAOYSA-N 396.472 3.688 0 40 GHAB COc1ccc([C@@H](CNC(=O)CCc2c(C)noc2C)N2CCCCC2)cc1 8394209 BVJRRDJBZMYSLM-OAQYLSRUSA-N 385.508 3.576 0 40 GHAB O=C(O)c1c(Cl)c(Br)c(C(=O)O)c(Cl)c1Br 25666885 IZBGVBHSTVKWHB-UHFFFAOYSA-N 392.814 3.915 0 40 GHAB O=C(Oc1ccc(-c2nnco2)cc1)c1cccc(I)c1 6261591 AAKOZIMEKKEKCE-UHFFFAOYSA-N 392.152 3.560 0 40 GHAB CCCn1c(NC(=O)[C@@H](C)Cn2cc(Br)cn2)nc2ccccc21 6241297 YNIMCGBVQMYWMM-LBPRGKRZSA-N 390.285 3.680 0 40 GHAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccnc2)no1 5307625 KRJBMVJYWLSPKU-KRWDZBQOSA-N 393.786 3.888 0 40 GHAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)Nc1c(Cl)cccc1Cl 5319637 ROAMKNSQUPNYGD-UHFFFAOYSA-N 394.283 3.892 0 40 GHAB CC(=O)N1Cc2sc(C(C)C)nc2C2(CCN(Cc3cccnc3)CC2)C1 306123974 BBYPNFJGTPQHQQ-UHFFFAOYSA-N 384.549 3.557 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCC[C@H](C)C1 14248922 WJWLFWZHDWEAKB-AWEZNQCLSA-N 390.480 3.807 0 40 GHAB C[C@H](NC(=O)CNC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1Cl 14387582 FMYHVBKHNQCSCD-NSHDSACASA-N 398.265 3.809 0 40 GHAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1 5558255 TZJOQAUBHZXCBD-HNNXBMFYSA-N 387.277 3.745 0 40 GHAB COC(=O)[C@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1 6755047 UGOZAAOAVYHEKY-LBPRGKRZSA-N 391.402 3.814 0 40 GHAB O=C(CSc1ccc2ccccc2c1)OCc1cc(=O)n2ccsc2n1 5780264 FRZROFZNVAZDIK-UHFFFAOYSA-N 382.466 3.745 0 40 GHAB O=C(c1ccc(COc2ccc(Cl)cc2)o1)N1N=CC[C@@]1(O)C(F)(F)F 6829125 XQMXTWJLKIXGCK-OAHLLOKOSA-N 388.729 3.595 0 40 GHAB CCCc1nnc(NC(=O)CCC(=O)Nc2ccc(N(CC)CC)cc2)s1 17249831 DQWTXNHMZZDCPV-UHFFFAOYSA-N 389.525 3.694 0 40 GHAB COc1ccc(NC(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)cc1 7023743 FFHQALYBBWKFIK-UHFFFAOYSA-N 391.452 3.772 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)c1 408672574 NYFJAUGUJCTSDW-QMIHWGKISA-N 390.439 3.649 0 40 GHAB Cc1cccc(CN2CCN(C)[C@@H](c3cn4c(N5CCCC5)cccc4n3)C2)c1 306135957 PFEDJRCSXJHMFF-JOCHJYFZSA-N 389.547 3.732 0 40 GHAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1cccc(Cl)c1Cl 15879732 OVJPYVBKYUFYJA-UHFFFAOYSA-N 391.210 3.630 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 7667599 WCDLEHJATZOHID-LFPRZYRFSA-N 375.534 3.815 0 40 GHAB O=C1CCSc2ccc(C(=O)Nc3ccccc3N3CCCC3=O)cc2N1 16105872 ZEKUYVIEVWQVME-UHFFFAOYSA-N 381.457 3.500 0 40 GHAB Cc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 9237889 XOQYIEMKVYYXSA-HZPDHXFCSA-N 385.880 3.638 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2Cl)cc1 9237321 XMNXZKYRQFADIP-IAGOWNOFSA-N 399.907 3.946 0 40 GHAB COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 9483493 BEHTWSQHZJOFBW-KRWDZBQOSA-N 377.444 3.667 0 40 GHAB O=C(NC[C@H]1C[C@H]2C=C[C@@H]1C2)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 170613152 JOQVHQKFSVTBFJ-NUEKZKHPSA-N 384.863 3.549 0 40 GHAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCN1C1CCCC1 84398247 AEQVCWSTRWZHTL-NRFANRHFSA-N 389.971 3.828 0 40 GHAB Cn1c(C(=O)N2CCc3c(ncn3C3CC3)C2)c(Br)c2ccccc21 95394283 BEHIQXOVLBRCKX-UHFFFAOYSA-N 399.292 3.671 0 40 GHAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1cccc(Br)c1 79112585 SJLLTNWSTJROIN-MRXNPFEDSA-N 387.233 3.875 0 40 GHAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)c2ccccc2O1 24221241 XURCPOLAONYLFP-IBGZPJMESA-N 396.830 3.754 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408648166 JSDWCNWQRUCGNV-GDBMZVCRSA-N 385.847 3.816 0 40 GHAB CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccccc2Br)CC1 67800577 LTXFPMMIQZOHOB-UHFFFAOYSA-N 398.301 3.970 0 40 GHAB COc1ccc(CSCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 409122980 CYFQBGUGCCOTGP-UHFFFAOYSA-N 390.936 3.931 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccnc1 408737054 LHNBHYPRMSREAK-SFHVURJKSA-N 380.448 3.637 0 40 GHAB CN(C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 36796213 QEXXXSUUZGMMBF-UHFFFAOYSA-N 378.501 3.959 0 40 GHAB CC(=O)Nc1nc(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)cs1 519519296 OCEZUKPKDWYOEN-AULYBMBSSA-N 383.395 3.796 0 40 GHAB COc1ccccc1CNC(=O)c1nnn(-c2ccc(C)cc2)c1-c1cccnc1 38487469 OUOKCLQRDZUMOP-UHFFFAOYSA-N 399.454 3.576 0 40 GHAB COc1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)cc1Cl 32709510 ADCWQDWJHXLKBZ-UHFFFAOYSA-N 389.860 3.914 0 40 GHAB Cc1ccccc1CSc1nc2nccnc2c(=O)n1Cc1ccc(F)cc1 6818657 UPUHGHAEFLDZCZ-UHFFFAOYSA-N 392.459 3.975 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 224121323 HHSDOXXBXGKJQB-OAQYLSRUSA-N 382.504 3.626 0 40 GHAB COc1cc(I)c(Cl)cc1C(=O)Nc1cccnc1 40073974 ZWCAQBQBVSGJTE-UHFFFAOYSA-N 388.592 3.601 0 40 GHAB CCOC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 222991759 ZETWHPKJGKXLBX-UHFFFAOYSA-N 388.272 3.900 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)c1csc2ccccc12 225696541 VAXZSXQVGGWMIR-CQSZACIVSA-N 397.905 3.575 0 40 GHAB CSc1cccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 220059496 UYAMESNRQPRREY-UHFFFAOYSA-N 392.546 3.937 0 40 GHAB CCn1c(=O)sc2cc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)ccc21 225074899 LBYGXFDTCOBSKX-UXBLZVDNSA-N 384.457 3.752 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 225676837 AVTNNWFXJJETCP-IBGZPJMESA-N 396.531 3.796 0 40 GHAB CC1CCN(CN2C(=O)C3(OCC4(CO3)C[C@H]3C=C[C@H]4C3)c3ccccc32)CC1 226760995 HWJVKLKZIJJSHQ-AYJAPBJVSA-N 394.515 3.505 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F 222485713 FWJGAYZTQOUHSV-MRXNPFEDSA-N 388.508 3.531 0 40 GHAB CCOCc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)ccc1OCC 224699249 CRQUUIYKASSZSZ-UHFFFAOYSA-N 398.503 3.593 0 40 GHAB C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(C(=O)CN2CCCCC2)C1 257275500 NPRAYKKQAWTIAH-QHCPKHFHSA-N 399.510 3.771 0 40 GHAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N=c3cc4n([nH]3)CCCC4)c12 585082740 UZLKELNORYQQCN-UHFFFAOYSA-N 394.523 3.825 0 40 GHAB CC(=O)N1CCC[C@H]2N(C(=O)c3sc(-c4cccnc4)nc3C)CCC[C@@]21C 257287347 PPNXLNVVNXYTRN-UTKZUKDTSA-N 398.532 3.519 0 40 GHAB O=C([C@@H]1COc2cc(F)ccc2C1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 626273912 MLMQNKZVHILXFO-WMZOPIPTSA-N 392.434 3.526 0 40 GHAB O=C(Nc1ncn(C2CCCCC2)n1)N[C@H](Cc1ccccc1)c1ncco1 654036639 FDDMRLFWUXBUQL-QGZVFWFLSA-N 380.452 3.877 0 40 GHAB Cc1nc(CO[C@@H]2CSC3(C2)CN(C(=O)c2cc4ccccc4[nH]2)C3)cs1 575405621 SQZXTDPDVFNPIQ-INIZCTEOSA-N 399.541 3.850 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1Br 857273 YWEAERAYJUDTCF-XVNBXDOJSA-N 390.233 3.881 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 5864786 QZSPFYTYTIEFSS-UHFFFAOYSA-N 397.456 3.953 0 40 GHAB CC(C)C(=O)Nc1ccc(C2=NN=C(NCCc3cccs3)SC2)cc1 11128138 FAUGHJRPYZZWQL-UHFFFAOYSA-N 386.546 3.982 0 40 GHAB CCn1c([C@H](CC(C)C)NC(=O)Cc2ccc(OC)cc2)nc2cccnc21 12114143 XAZBRTGQBOAJCD-IBGZPJMESA-N 380.492 3.906 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1nccc2ccccc12)c1ccc(F)c(F)c1 12115026 YVICVJGWXXGGMI-GOSISDBHSA-N 378.382 3.766 0 40 GHAB COc1ccc(-c2nc(NCCCc3ccccn3)ncc2-c2ncc[nH]2)cc1 12221397 JWACEGVTMXXAFU-UHFFFAOYSA-N 386.459 3.982 0 40 GHAB COC(=O)c1c(NC(=O)c2cnccn2)sc2c1CC[C@@H](c1ccccc1)C2 12980676 MKEUKWYFICRPNY-CQSZACIVSA-N 393.468 3.850 0 40 GHAB Cc1cc(C)c(S(=O)(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c(C)c1 12994313 BAMJKZSVIKMPSD-UHFFFAOYSA-N 397.544 3.952 0 40 GHAB COc1ccc(CCNCc2ccc(-c3ccc(C(=O)O)cc3)o2)cc1OC 15082183 AFVOGMQEVUKAKK-UHFFFAOYSA-N 381.428 3.994 0 40 GHAB CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C/C(C)=C/c1ccccc1)C2 19014429 JFTDXAHMHZMPTE-BRBKRDGESA-N 376.504 3.622 0 40 GHAB CC(C)(C)c1ncc(C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)cn1 19084789 RXUVXPIDWZQELA-KRWDZBQOSA-N 376.464 3.537 0 40 GHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C[C@H]3C=CCC3)C1)N2 19127625 BTLVHOIHMIQRPD-LUKYLMHMSA-N 378.467 3.777 0 40 GHAB COc1ccc(CN(Cc2cnc(OC)nc2)C2CC(C)(C)NC(C)(C)C2)cc1 19461007 OICPRGJFCKXUIW-UHFFFAOYSA-N 398.551 3.805 0 40 GHAB CCC(=O)N1CCN(CC)C(=O)[C@H](Cc2cccc(-c3ccccc3C)c2)C1 19498923 WEHYFSSILFDYLN-OAQYLSRUSA-N 378.516 3.921 0 40 GHAB COc1ccc(C2(C(=O)NCc3nnc(-c4cccs4)o3)CCCC2)cc1 19553757 IGNGRDWXCKQTMJ-UHFFFAOYSA-N 383.473 3.935 0 40 GHAB COc1ccc(-c2nc(C(=O)Nc3ccnn3C3CCN(C)CC3)cs2)cc1 19660246 UKZRRPASNMMKIW-UHFFFAOYSA-N 397.504 3.534 0 40 GHAB COc1cc2c(cc1OC)CN(CC(=O)Nc1cc(C)cc3cccnc13)CC2 19664495 QELGTLMTQGVUJU-UHFFFAOYSA-N 391.471 3.557 0 40 GHAB CCOC(=O)c1n[nH]cc1-c1cncn1CC1(c2ccc(C)cc2)CCOCC1 19719692 YZIQQWBAXFFTFX-UHFFFAOYSA-N 394.475 3.507 0 40 GHAB COC(=O)c1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1 6153737 LAKQUJKUPZAMBQ-BJMVGYQFSA-N 390.233 3.896 0 40 GHAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)c1 4498474 SYKLTWHYHJLYQH-CPNJWEJPSA-N 391.471 3.824 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CNc3cc(OC)c(OC)c(OC)c3)cc2c1 12144303 HGOGXQRUROQGSO-UHFFFAOYSA-N 384.432 3.565 0 40 GHAB Cc1cc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)ccc1Br 5678909 YANVEBUSVFCNII-UHFFFAOYSA-N 382.279 3.554 0 40 GHAB Cc1cnccc1OCC1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1889211604 SFPMPNKFKFVHEA-UHFFFAOYSA-N 380.897 3.523 0 40 GHAB O=C(NCCNC(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccccc1 25516930 SOLJLNINXQZRLF-UHFFFAOYSA-N 376.481 3.674 0 40 GHAB Cc1cc(C(=O)O)ccc1NC(=O)c1cccc(I)c1 13391129 SDGVAPYAOGZTDR-UHFFFAOYSA-N 381.169 3.550 0 40 GHAB O=C(NCc1cccnc1-c1cccnc1)[C@H]1CCCN1c1nc2ccccc2o1 238867798 MEGYFAKVPZRDFT-LJQANCHMSA-N 399.454 3.570 0 40 GHAB CC(C)(C)c1cn2nc(OC[C@@H]3CCN(c4cc(C5CC5)ncn4)C3)ccc2n1 2087045662 JQDQMTSRPFKBEK-OAHLLOKOSA-N 392.507 3.600 0 40 GHAB O=C(CCc1ccccc1)N[C@H]1CCC12CCN(C(=O)C1CC(F)(F)C1)CC2 1565554914 KFJNJYYSZBMRQN-SFHVURJKSA-N 390.474 3.552 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 4079594 MEDGMDSEKRCBBA-UHFFFAOYSA-N 398.440 3.866 0 40 GHAB O=S(=O)(NCCc1cn2ccccc2n1)c1ccc(-c2ccccc2)cc1 4248484 YMFXGSHNUCHEKC-UHFFFAOYSA-N 377.469 3.522 0 40 GHAB O=S(=O)(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccc(F)cc1 4305167 KNSGOVROIOTLQL-IBGZPJMESA-N 386.448 3.501 0 40 GHAB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cccc(Cl)c1 4939904 BMCVATWIPNKSMJ-UHFFFAOYSA-N 394.862 3.886 0 40 GHAB O=C(Nc1nnc2n1CCS2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 8600556 GDHAIGQAJAOVIJ-UHFFFAOYSA-N 382.289 3.674 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccccc3)cs2)c1 9659224 QTFBJFBJTVUOMH-UHFFFAOYSA-N 397.456 3.594 0 40 GHAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 10253006 NXPVLVLPDDJZGL-UHFFFAOYSA-N 388.514 3.888 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1 15391039 TVHRAAROCODNPL-QGZVFWFLSA-N 392.908 3.912 0 40 GHAB Nc1c(-c2nc(-c3cccs3)no2)nnn1-c1ccccc1C(F)(F)F 20530586 QROOHKBMYHOKBW-UHFFFAOYSA-N 378.339 3.647 0 40 GHAB O=C(Cc1cc(-c2cc3ccccc3o2)on1)NCc1ccc2c(c1)OCO2 23127268 LYKXQZBOQHXDOU-UHFFFAOYSA-N 376.368 3.675 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1C 206681242 DMIFQYDRIAHIOC-UHFFFAOYSA-N 398.509 3.912 0 40 GHAB Cc1nc(C)c(C(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)s1 38488257 FILOCEKBCCQGGS-UHFFFAOYSA-N 391.460 3.732 0 40 GHAB Cc1ccc(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 40049313 WDDBFIZMZYSTSU-KRWDZBQOSA-N 378.407 3.693 0 40 GHAB CN(C(=O)CN1CCO[C@H](c2ccc(F)cc2)C1)[C@H]1CCCc2ccccc21 40060997 RCIWSKURDWTLDH-VXKWHMMOSA-N 382.479 3.735 0 40 GHAB COC(=O)C[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(OC)c(OC)c1 31494365 IVOBUJCDFRCYEO-HNNXBMFYSA-N 395.814 3.531 0 40 GHAB O=S(=O)(c1ccccc1)N1C[C@@H]2c3ccccc3CCN2[C@@H]1c1ccccc1 20494218 KMUAPPVLJUNPNB-PKTZIBPZSA-N 390.508 3.989 0 40 GHAB CCCOc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)cc1 31820597 ORTCDICCXSKPSA-OAHLLOKOSA-N 379.420 3.589 0 40 GHAB COc1cc([C@@H](C)c2cc3c(cc2OCC(C)=O)OCO3)cc(OC)c1OC 3053250 FXQUOECVAMEKBG-CYBMUJFWSA-N 388.416 3.561 0 40 GHAB Cc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2cccnc2)cc1C 4855247 RHZPCZVORNNASP-UHFFFAOYSA-N 393.516 3.661 0 40 GHAB CCc1ccc(OC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 15964350 KKTNBSQEQUMJHL-GOSISDBHSA-N 383.469 3.572 0 40 GHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccsc3)cc2)C1 6929670 SNHKAHLHUCKCGD-HUUCEWRRSA-N 392.546 3.596 0 40 GHAB CCC[C@H](C)NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 6946997 UFVKBZCNPAGKCF-KRWDZBQOSA-N 388.533 3.880 0 40 GHAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)c2ccc(F)cc2)CC1=O 7881497 RAKKCIQVLWNYGH-GOSISDBHSA-N 397.446 3.730 0 40 GHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)c(C)cc2C)C1=O 2625662 NAEWFCTZFRWJJO-QFIPXVFZSA-N 382.435 3.791 0 40 GHAB COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(OC)cc3)nc2)cc1 2756085 GINCXCNDVQIPOL-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB Cc1cccc(CN2CCN(C(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)CC2)c1 21926526 YSCSSMAXXKQWKR-UHFFFAOYSA-N 393.531 3.745 0 40 GHAB COc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 21904205 MQKXMPCGGIGZGZ-UHFFFAOYSA-N 387.476 3.819 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 692094 WSKOSLLADDGNLU-UHFFFAOYSA-N 398.887 3.737 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccco1 780175 BAPWSDXRKMVYNS-UHFFFAOYSA-N 393.266 3.568 0 40 GHAB CCN(CC)[C@H](CNC(=O)CCc1ccc2c(c1)OCO2)c1cccc(OC)c1 22700970 DGWMBICBMOAWMM-HXUWFJFHSA-N 398.503 3.556 0 40 GHAB COc1ccc(Cc2cnc(NC(=O)c3ccc4nnsc4c3)s2)cc1 12274811 PJUBBUJJPVGBNU-UHFFFAOYSA-N 382.470 4.000 0 40 GHAB CC(C)c1ccc(CCNC(=O)CNC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 104742880 AMQLDWFANUUESD-LGYWMIHWSA-N 385.552 3.593 0 40 GHAB COC(=O)c1ccoc1COC(=O)c1ccccc1NC(=O)c1ccccc1 23455264 CHEGWEPRWZBGJJ-UHFFFAOYSA-N 379.368 3.676 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)cc1F 23737345 URJSXGMBNAOPII-UHFFFAOYSA-N 395.478 3.890 0 40 GHAB C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)sc2C1 55160561 QFBQJIZGQVTBOU-DOMZBBRYSA-N 389.546 3.502 0 40 GHAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC([C@@H](O)c2ccccc2)CC1 55274328 VDYDRZVWRKKFMD-NQIIRXRSSA-N 385.891 3.863 0 40 GHAB O=C(N[C@@H]1CCSC1=O)c1ccc(Oc2cccc(C(F)(F)F)c2)nc1 1404273 FSUUQRAPSUHLEA-CYBMUJFWSA-N 382.363 3.655 0 40 GHAB Cc1cc(OCC(=O)N[C@@H](c2ccccc2F)c2nccn2C)ccc1Cl 12579887 OKRUVJDPCWDJMO-IBGZPJMESA-N 387.842 3.806 0 40 GHAB COc1ccc(C(=O)[C@@H](C)n2nnc(-c3ccc(Br)cc3)n2)cc1 57485096 RFNISWPGUUCFSC-LLVKDONJSA-N 387.237 3.555 0 40 GHAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1 113967253 KPIRWBOMEKASHJ-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 20111062 YFQCIMUMRBJKSD-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB Cc1cc2nc(C)c(CCC(=O)Nc3cnc4c(cnn4C(C)C)c3)c(C)n2n1 27022825 YKFZNWKISCYHEA-UHFFFAOYSA-N 391.479 3.551 0 40 GHAB Cc1ncc(CN(C)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 58166473 WEQHQXMCSMWDOE-CHWSQXEVSA-N 392.500 3.868 0 40 GHAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)cc1 3219280 KMSYAJQKPBZXOO-UHFFFAOYSA-N 379.412 3.886 0 40 GHAB Cc1ccc(C)c(C(=O)[C@@H](C)N2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1 3377032 XMFIOCGDSLUEIX-WAIKUNEKSA-N 376.456 3.658 0 40 GHAB COc1ccc(CCN(C)S(=O)(=O)c2ccc(C(C)C)cc2)cc1OC 3322981 BRPZRVJYGZTOCD-UHFFFAOYSA-N 377.506 3.690 0 40 GHAB CCCc1nc2ccccc2c(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1CC 3320443 SKSQQPKOYWBOJL-HOTGVXAUSA-N 398.503 3.542 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c1OC 3385277 OYXPDHLUTDWWMH-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccccc1Br 3498019 HNOWOTDLZYKJMA-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)n2)c1 6083314 SVRCLGNXRDQURX-DNVCBOLYSA-N 387.530 3.819 0 40 GHAB C[C@H](NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(C(F)(F)F)c1 49795443 BYJBLUPIJVELRL-RYUDHWBXSA-N 397.363 3.950 0 40 GHAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(C(=O)Nc3ccccc3)cc1)C2=O 4308731 QJJYQTYBOAKKQH-WAIKUNEKSA-N 391.471 3.940 0 40 GHAB O=C(N[C@H]1CCc2ccccc21)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 14189063 HWZKAKANOFWDNL-PXNSSMCTSA-N 382.891 3.996 0 40 GHAB CN(C)c1cccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1 4506591 TXDUASLWKMTWAR-UHFFFAOYSA-N 388.467 3.815 0 40 GHAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(C)n3)C2=O)c(C)c1 409374185 KQGFPGSCESQSER-LICLKQGHSA-N 395.484 3.990 0 40 GHAB CCN(C(=N)NC1=NC2=Nc3ccc(Br)cc3C2=N1)c1ccccc1 4747276 HBEJINDUKJYLEE-UHFFFAOYSA-N 395.264 3.702 0 40 GHAB Cc1cc(C)cc(OCCN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)c1 6849623 FGRBPOJMUHROJQ-HSZRJFAPSA-N 378.472 3.638 0 40 GHAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1 6971256 QRVXNNNFIUWNEN-UHFFFAOYSA-N 376.416 3.928 0 40 GHAB COc1ccc(C2=NN(C(=O)CSc3ncccn3)[C@H](c3ccco3)C2)cc1 6913300 IAOZGJSTKIZXPI-KRWDZBQOSA-N 394.456 3.548 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)Nc2cccc(F)c2)nc2cc(C)[nH]c2c1=O 67239085 PTHQPZUGKWNTJE-GFCCVEGCSA-N 388.468 3.874 0 40 GHAB CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1cccc2nsnc12 19079064 ILLXYKMNUINKEL-UHFFFAOYSA-N 388.301 3.819 0 40 GHAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc3c(c2)OCO3)cc1Cl 71116132 ZYCWRBKCEACRID-UHFFFAOYSA-N 399.834 3.788 0 40 GHAB FC(F)(F)c1nc(SCc2nnnn2-c2ccccc2)c2ccccc2n1 9884779 RWPPWNPXRDKPPG-UHFFFAOYSA-N 388.378 3.917 0 40 GHAB Cc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Cl)cc1)S2 9236475 XWGCZBWWTBNBHJ-JKSUJKDBSA-N 385.880 3.638 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860109 CWDQUGLKOZNUHW-MRXNPFEDSA-N 392.908 3.521 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 408999199 PUSQTHWXLWRILQ-OALUTQOASA-N 382.460 3.662 0 40 GHAB CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C 19909432 MWCXMSONURQKIR-UHFFFAOYSA-N 388.533 3.685 0 40 GHAB Cc1cc(C)cc(OCCCn2c(CN3CCOCC3)nc3ccccc32)c1 21785143 RJVOWXRTWPEPFB-UHFFFAOYSA-N 379.504 3.954 0 40 GHAB CN1CCN(Cc2ccncc2)C[C@H]1c1ncn2cc(-c3ccccc3)ccc12 306131382 KCVZXRSNABQBSS-QHCPKHFHSA-N 383.499 3.885 0 40 GHAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)COc1ccc(C(C)(C)C)cc1 84686481 USJIFVNSFOOLMC-BEFAXECRSA-N 380.488 3.757 0 40 GHAB CCO[C@@H]1C[C@@H](NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)C12CCCCC2 78879012 SJAKRCIVKWSBEE-RTBURBONSA-N 397.519 3.835 0 40 GHAB COc1cc(NC2CCN([C@@H](C)C(=O)N(C(C)C)C(C)C)CC2)cc(OC)c1 79025656 QPENUDCIQROHNF-KRWDZBQOSA-N 391.556 3.614 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 9917450 KAYWKVSCEWUQRI-UHFFFAOYSA-N 384.480 3.666 0 40 GHAB COc1cccc(C(=S)N2CCN(C)CC2)c1OCc1ccccc1Cl 408574322 LVYFQTJKHFIZPA-UHFFFAOYSA-N 390.936 3.851 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)Cc1c(C)nc3ccccc3c1C)OCO2 23656153 YCYJBYPZPLAHFB-UHFFFAOYSA-N 376.412 3.964 0 40 GHAB CCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408531222 MLYKKYLSHNUBHY-LJQANCHMSA-N 388.533 3.547 0 40 GHAB OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCCC1 60343666 CRYZUGNDYKETRU-UHFFFAOYSA-N 376.504 3.778 0 40 GHAB Cc1cccc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4cccs4)ccc2S3(=O)=O)n1 306133908 MZDDKSFCEUBXRX-GHTZIAJQSA-N 396.537 3.874 0 40 GHAB CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccccc2)C1=O 409194187 OBKYKCMACQUXRG-XNTDXEJSSA-N 387.233 3.551 0 40 GHAB CCCC1=NN(C(=O)c2cccc(Br)c2)[C@](O)(C(F)(F)F)C1 32138922 RSCICMJRUKGCLN-CYBMUJFWSA-N 379.176 3.702 0 40 GHAB O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccco1 32642738 NHRAPGYQMHCABN-UHFFFAOYSA-N 377.425 3.892 0 40 GHAB CCNS(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1OCC 408700480 GQLCYFLNRSHWQN-UHFFFAOYSA-N 390.505 3.561 0 40 GHAB CCCOc1ccccc1CCCNC(=O)COc1cc(OC)cc(OC)c1 218896987 LEQPCKHDCFGHOB-UHFFFAOYSA-N 387.476 3.620 0 40 GHAB CC(C)c1ccc(O)c(NC(=O)COc2ccc(Cl)cc2-n2cnnc2)c1 32646761 WHVKICSDGIAGTM-UHFFFAOYSA-N 386.839 3.767 0 40 GHAB COc1cccc(CN2CCN(c3ccccc3[C@H](O)c3nccs3)CC2)c1 72340481 SGIRCWQEPNUCDU-NRFANRHFSA-N 395.528 3.556 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)NCc1ccccc1CN1CCCC1=O 32779648 ZCUHLZGEEHNJPH-GOSISDBHSA-N 379.504 3.630 0 40 GHAB C/C=C(/C)C(=O)O[C@H](COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O 31156196 VJVXQSFKTVUEFY-HYMFSAHRSA-N 386.400 3.567 0 40 GHAB biogenic,in-vitro NC(=O)c1ccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1 72348618 WDYUTOFEFPAODJ-HXUWFJFHSA-N 385.467 3.867 0 40 GHAB Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cccn3c(C)nnc23)c1 49404844 DTAJISZWGONCJP-UHFFFAOYSA-N 392.484 3.742 0 40 GHAB Cc1ccccc1N(CCCC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O 222549639 ODBLUGGZSALYOQ-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc(F)cc1 222786539 GGSSZRLKILQTRR-UHFFFAOYSA-N 375.787 3.567 0 40 GHAB Cc1cccc(CN(C(=O)COc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)c1 224172322 WGLCRDKFYBRKTC-FQEVSTJZSA-N 396.531 3.872 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1 223826018 XJFLZFLFCXBGNQ-KRWDZBQOSA-N 384.495 3.874 0 40 GHAB CCN(CC)Cc1nc(C2(O)CCN(Cc3ccccc3F)CC2)cs1 225462872 PWDHBICHBVEKHK-UHFFFAOYSA-N 377.529 3.608 0 40 GHAB biogenic,in-vitro COc1ccc(/C=C/C(=O)NC[C@@H](OC)c2ccc(Cl)s2)cc1OC 225703020 WWTMYGDXLQRTIX-FUVBFXSKSA-N 381.881 3.936 0 40 GHAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)C3CCCCC3)CC2)Oc2ccccc21 96242946 WNPUVSURROIPIJ-IBGZPJMESA-N 398.547 3.973 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2C[C@H]2C)c1 245285848 ZAHNVXRVXVZLPT-RHSMWYFYSA-N 388.489 3.505 0 40 GHAB CCn1cc(CN2CCO[C@@H](c3cccc(Cc4ccccc4C)n3)C2)cn1 257323242 WJHONWABDDCOHK-HSZRJFAPSA-N 376.504 3.771 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC(c3cccc(Nc4ccccn4)n3)CC2)o1 257257660 KQOZXOHBKAZUEX-UHFFFAOYSA-N 377.448 3.845 0 40 GHAB O=C(COc1cccnc1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257324384 WOMFZLHOIASWBE-FQEVSTJZSA-N 395.434 3.932 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)nc(O)n1 257266343 MCPAYARDBGFEFB-KRWDZBQOSA-N 398.850 3.700 0 40 GHAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)[C@@H]1OCC[C@@H]1Cn1ccnc1 621335629 SRIQWMKHRABQPC-RDTXWAMCSA-N 394.456 3.797 0 40 GHAB COc1nc(C)cc(C)c1CNC(=O)N1CCC2(C=Cc3ccccc3O2)CC1 663950336 IWIUOSVYVBHXSQ-UHFFFAOYSA-N 393.487 3.857 0 40 GHAB COc1ccc(Br)c(C(=O)NC[C@H](O)c2ccc(SC)cc2)c1 96103142 BTBHLMRTGDPWQG-INIZCTEOSA-N 396.306 3.643 0 40 GHAB O=C(N1CC[C@H](Oc2ncc(F)cn2)C1)C1(c2ccc(Cl)cc2)CCCC1 390826724 BGYDEXWMBRKKCR-KRWDZBQOSA-N 389.858 3.761 0 40 GHAB CCn1ccnc1CNC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 654578786 GDCDTIVCRABCAQ-UHFFFAOYSA-N 376.451 3.736 0 40 GHAB O=C(c1cc(F)ccc1F)C1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 52872875 YTOQQICUWMSBEY-NRFANRHFSA-N 398.453 3.879 0 40 GHAB Cc1ccccc1[C@H](NC(=O)c1cnc(N2CCCC2)nc1C)c1ccncc1 12148507 ZCGHOUSWJXZKSH-OAQYLSRUSA-N 387.487 3.608 0 40 GHAB COc1cccc([C@@H](O)CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c1 12292532 IVUVIKNCDVJGHX-IBGZPJMESA-N 395.421 3.731 0 40 GHAB COc1ccccc1CNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1 12408920 SWNUTAUBOGLAKD-UHFFFAOYSA-N 377.322 3.694 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COc1c(F)cc(Br)cc1F 13301132 JMYQPHVQYYQNOG-NTZNESFSSA-N 378.257 3.730 0 40 GHAB CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)CC 13610328 PGVZZFIQYWPFJC-UHFFFAOYSA-N 386.517 3.776 0 40 GHAB O=S(=O)(Cc1c(F)cccc1Cl)NCCSCc1ccccc1F 13647488 DBCAFGPCGSUYPJ-UHFFFAOYSA-N 391.892 3.971 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)cc2NC1=O 19462104 SLBRJTPRBKYFCM-GIPWTMENSA-N 399.834 3.581 0 40 GHAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cc2)n1 19661583 UHSNRFSFCZMQFE-SFHVURJKSA-N 388.471 3.789 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 19936776 PYULKUJOUASLAP-UHFFFAOYSA-N 387.244 3.722 0 40 GHAB CCOc1ccc(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)cc1OC 12119151 AKIVHIJCGIVFLL-KRWDZBQOSA-N 382.460 3.839 0 40 GHAB COc1cccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)c1 4193149 HLNNSIRADWYDDC-UHFFFAOYSA-N 389.455 3.872 0 40 GHAB COc1ccc(-c2cc(CNC(=O)/C=C\c3ccc(OC)c(OC)c3)no2)cc1 12637985 BWEXJKZSSYBKPT-WZUFQYTHSA-N 394.427 3.697 0 40 GHAB O=C(NCCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1Cl 13797341 FCCYNBODQMVCRT-UHFFFAOYSA-N 385.826 3.523 0 40 GHAB CN(C)c1ccc(C(=O)N2CCC[C@H](Cc3nc(-c4ccsc4)no3)C2)cc1 220915854 RSJXTWACFDMARG-OAHLLOKOSA-N 396.516 3.959 0 40 GHAB CC(C)Sc1ccc(CC(=O)N2CCC[C@H](Oc3ncc(F)cn3)C2)cc1 575612783 NDIMEEIGFDVRQZ-KRWDZBQOSA-N 389.496 3.729 0 40 GHAB O=S(=O)(c1ccccc1Br)N1CCc2sc(Cl)cc2C1 575615772 HOIRFDUAHOUQOE-UHFFFAOYSA-N 392.727 3.911 0 40 GHAB COc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)c(OC)c1 44421820 ZYGHOHBYWTZZSG-LBPRGKRZSA-N 399.834 3.928 0 40 GHAB COc1ccc(Cl)cc1CS(=O)(=O)[C@H](C)C(=O)N[C@H](C)c1ccccc1 40106162 IZBSZPRZUUTUHE-ZIAGYGMSSA-N 395.908 3.529 0 40 GHAB O=C(Cc1nc(-c2ccc3c(c2)CCCC(=O)N3)cs1)NCc1ccco1 30447100 HOUIGSFGMOXMCO-UHFFFAOYSA-N 381.457 3.537 0 40 GHAB Cc1nn(C)c2ncc(NC(=O)CCc3ncc(-c4ccccc4F)o3)cc12 30805362 GZQSNLDABVVNIH-UHFFFAOYSA-N 379.395 3.642 0 40 GHAB COC(=O)c1c(C)[nH]c(-c2ccccc2OC)c1[C@H]1C(=O)Nc2ccccc21 100791927 ZKWVQIVRDLBXBY-SFHVURJKSA-N 376.412 3.869 0 40 GHAB biogenic Cc1cc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)ccc1N1CCCC1 11324642 FLJFWEYASDXJGI-FQEVSTJZSA-N 391.515 3.625 0 40 GHAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8134714 UVEQMVAKZXCEMZ-LJQANCHMSA-N 375.428 3.825 0 40 GHAB O=C(c1cccc(S(=O)(=O)NC2CCCCC2)c1)N1CCCc2ccccc21 806100 GPSVMUDZMHLFRU-UHFFFAOYSA-N 398.528 3.891 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)[nH]1 101344865 XIHZFXUSINJCRW-COPLHBTASA-N 392.912 3.531 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3cccs3)o2)cc1OC 3475171 FCMFINMROJONNF-UHFFFAOYSA-N 377.447 3.546 0 40 GHAB CN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 6681270 YSLHNKKCFWAYOV-UHFFFAOYSA-N 390.461 3.965 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COC[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 101244364 DBSDEURTFPMJNX-XCJLJZCSSA-N 392.971 3.584 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 32810721 AJLLJRIAFCQIEJ-NHCUHLMSSA-N 379.456 3.921 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)cc1C 8417166 UFNQBMBELGBHKF-UHFFFAOYSA-N 386.423 3.733 0 40 GHAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N1CCC(C)CC1 2778345 NDTHQXXJKGPJQU-SNVBAGLBSA-N 382.224 3.792 0 40 GHAB COc1cccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)c1 709627 LWJLBRQYWSXAEG-UHFFFAOYSA-N 398.374 3.664 0 40 GHAB O=C(Nc1cc(Br)ccc1O)[C@H]1CC(c2ccccc2Cl)=NO1 814988 NQUDWHSRLAEDSE-OAHLLOKOSA-N 395.640 3.940 0 40 GHAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)C(C)(C)C 12321676 LEJFUXVXQYJSRE-UHFFFAOYSA-N 392.521 3.569 0 40 GHAB C[C@H]1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)c2ccccc2S1 22917692 ZVICSIOBRPNQEU-IBGZPJMESA-N 395.572 3.722 0 40 GHAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 100740733 JRIPFSJGQQAPTQ-KIFXHHALSA-N 389.543 3.927 0 40 GHAB O=C(NC[C@H]1CCCO1)c1ccc(COc2ccc(Br)cc2)cc1 1003226 XOQLVPUKCHMPNL-GOSISDBHSA-N 390.277 3.937 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(c2nnc3ccccn23)CC1 24326513 RTWKHKXTGJOHID-CQSZACIVSA-N 384.867 3.556 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccc(C)c(C)c2)c(-c2cccc(F)c2)n1 57508320 XHYWVGFPSVTNCE-UHFFFAOYSA-N 379.435 3.867 0 40 GHAB CCCOc1ccc(C(F)(F)F)cc1N[C@H](C(=O)NC(N)=O)c1ccccc1 12594773 IDXVWJFVWQRWDE-INIZCTEOSA-N 395.381 3.842 0 40 GHAB CC(C)OC(=O)C[C@H](NC(=O)N[C@@H](C)Cc1ccc(O)cc1)c1ccccc1 56769120 YPKYKMUEVBRVHK-JXFKEZNVSA-N 384.476 3.705 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccc1Cl 12535849 STVBKXYNXBTMAH-QGZVFWFLSA-N 383.835 3.764 0 40 GHAB Cn1c(SCC(=O)Nc2cc(F)ccc2Cl)nc2ccsc2c1=O 57416909 QQIYYYRXLXDRTH-UHFFFAOYSA-N 383.857 3.518 0 40 GHAB CCOC(=O)Cn1nc(C2CC2)c2c(C(F)F)cc(-c3cnn(CC)c3)nc21 20602883 VKZZDSJBAPXLKH-UHFFFAOYSA-N 389.406 3.693 0 40 GHAB O=S(=O)(Nc1ccc(SC(F)F)cc1)c1cnn(-c2ccccc2)c1 58051823 ISPJNADREDRCNC-UHFFFAOYSA-N 381.429 3.988 0 40 GHAB CCc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 3284482 QZZDVUIZUQXTPV-UHFFFAOYSA-N 381.472 3.702 0 40 GHAB COc1ccccc1OCCCCn1c(CN2CCOCC2)nc2ccccc21 27789153 JQYXVHBNGZRTRB-UHFFFAOYSA-N 395.503 3.736 0 40 GHAB CC(C)Cc1nnc(NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)s1 27995232 RYZLMSHNICOKPY-NSHDSACASA-N 384.461 3.967 0 40 GHAB COCCOC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 2210147 CWGLMMRECMETCK-UHFFFAOYSA-N 390.443 3.576 0 40 GHAB Cn1nc(C(F)(F)F)cc1C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 28306296 QMLVPVUIFCAOLC-UHFFFAOYSA-N 383.761 3.589 0 40 GHAB COc1cc(CNC(=O)[C@@H]2COc3ccccc3C2)ccc1OC1CCCC1 48344400 URPDLJLHEBLIBJ-SFHVURJKSA-N 381.472 3.884 0 40 GHAB CCN(CC)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 12859947 PLKAXZWGQHZKSC-UHFFFAOYSA-N 394.475 3.932 0 40 GHAB Cc1sc(NC(=O)Cn2c(C)csc2=O)nc1-c1ccc(Cl)cc1 12979306 VGAVARAGJZIILI-UHFFFAOYSA-N 379.894 3.942 0 40 GHAB CNC(=O)c1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1 12923525 ZQXRCISYWBUCEK-UHFFFAOYSA-N 381.457 3.642 0 40 GHAB COc1ccccc1CNC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 3564721 QUWPRVSSXZRIMV-UHFFFAOYSA-N 393.414 3.761 0 40 GHAB COC(=O)c1ccc(OCc2cc(=O)oc3cc(Br)ccc23)cc1 13135355 NMDRULAMPNMKJF-UHFFFAOYSA-N 389.201 3.921 0 40 GHAB COc1ccc(-c2nn3c(COc4ccc(C)cc4)nnc3s2)cc1OC 5032310 XKMWFOQLGIVJEQ-UHFFFAOYSA-N 382.445 3.757 0 40 GHAB CCOc1ccccc1OCCCC(=O)Nc1ccccc1N1CCOCC1 6248603 ILSBCQVYTNPXLN-UHFFFAOYSA-N 384.476 3.720 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944813 BYNYREITFJRBSI-CQSZACIVSA-N 399.853 3.990 0 40 GHAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccnc1)c1cccs1 8744680 OQRSHOQGIUCFMB-GOSISDBHSA-N 390.468 3.604 0 40 GHAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)Nc1ncnc2sc3c(c12)CCC3 6541614 URXAXTJHEYIPAZ-INIZCTEOSA-N 392.484 3.858 0 40 GHAB O=C(Nc1cccc2cccnc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 14517677 DUANLTHRWANBFP-UHFFFAOYSA-N 395.484 3.662 0 40 GHAB O=C(COC(=O)/C=C/c1cccc(Br)c1)NC1CCCCCC1 6886760 XOUGZESCVJZGHQ-ZHACJKMWSA-N 380.282 3.845 0 40 GHAB CN(C)S(=O)(=O)c1ccc(C(=O)OCCC23CC4CC(CC(C4)C2)C3)cc1 5859643 FRYCLYAWMVFSHD-UHFFFAOYSA-N 391.533 3.700 0 40 GHAB CC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 4976988 OJMVRNRZFNIRKD-HNNXBMFYSA-N 394.924 3.758 0 40 GHAB CCC[C@@H](C)NC(=O)COC(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 4949738 XQLXAONSCBCQAN-CYBMUJFWSA-N 387.501 3.984 0 40 GHAB CC(=O)Nc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1 7512437 KENARJITKRMZRX-HNNXBMFYSA-N 390.439 3.911 0 40 GHAB O=C1N=C(O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1ccc(Cl)cc1 9089894 YMLQUSULRKRLFJ-DYESRHJHSA-N 395.846 3.975 0 40 GHAB O=C(CSCc1cc(Cl)c2c(c1)OCCO2)N1CCc2ccccc21 7849461 XDCMYVOJLZOGBA-UHFFFAOYSA-N 375.877 3.934 0 40 GHAB NC(=O)N1CCC[C@H](Nc2nc(-c3cccc(Cl)c3)nc3c2CCCC3)C1 96011323 FCJLYRIOKCVGOJ-HNNXBMFYSA-N 385.899 3.631 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)c1c[nH]nc1-c1ccc(Cl)cc1 9735278 IGJCXRAUUKFVGW-UHFFFAOYSA-N 391.862 3.905 0 40 GHAB O=C(Nc1c(-c2ccccc2)nc2sccn12)[C@@H]1COc2ccccc2O1 9378098 XVQUKZQSFZUNJN-INIZCTEOSA-N 377.425 3.841 0 40 GHAB COCCn1cc(CCC(=O)NC[C@H]2CCCN3CCCC[C@H]23)c2ccccc21 96343594 WICSSRSKKWFWKR-DENIHFKCSA-N 397.563 3.601 0 40 GHAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccccc1-n1cnnn1 9579012 JUWUIGIMDPSNBF-UHFFFAOYSA-N 389.390 3.524 0 40 GHAB O=C1CCCN1c1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1 9610155 KSYQBRZAPYYWCE-UHFFFAOYSA-N 393.516 3.846 0 40 GHAB C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CCN1C(=O)CCc2cc(F)ccc21 89930132 RKIJKQAUNRRBGK-IQMFZBJNSA-N 380.463 3.935 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N3CC[C@@H]3Cc3ccccc3)n2)cc1 72311747 MKOVLQPDGKAXEU-GOSISDBHSA-N 377.444 3.521 0 40 GHAB CC(C)n1nc(O)c2c(-c3cccc(OC(F)F)c3)c3sc(=O)[nH]c3nc21 72405439 BCPQMONQSICCDN-UHFFFAOYSA-N 392.387 3.889 0 40 GHAB CCOc1ccc(-c2nc(C(=O)Nc3cc(C(N)=O)sc3C)cs2)cc1 84809404 FHCREUXBGHGUTG-UHFFFAOYSA-N 387.486 3.930 0 40 GHAB COCCN(C)c1ccc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)nc1 95966964 MLTRWNCMPCPTHC-UHFFFAOYSA-N 398.532 3.945 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(C)n1-c1nccs1 95980230 AJUQYVLUWFJCGL-HNNXBMFYSA-N 396.520 3.566 0 40 GHAB CCN(Cc1nnc(-c2ccc(F)cc2)o1)[C@H]1CCN(Cc2ccccc2)C1 95940577 BKKDQVXILASFLH-FQEVSTJZSA-N 380.467 3.972 0 40 GHAB Cc1cc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c(C)n1C1CC1 9909351 RSMKVLSESYHXSA-UHFFFAOYSA-N 379.504 3.996 0 40 GHAB COc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(C)(F)F)cc1 409001110 GXNOAMOQVTZALM-LJQANCHMSA-N 394.805 3.943 0 40 GHAB Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cnn(C)c3-n3cccc3)cc2)n1 173196219 QCAZIBAEFQWNQY-QGZVFWFLSA-N 388.475 3.504 0 40 GHAB CCn1cc(C(=O)Nc2ccc(OC)cc2OC)c(=O)c2cc(Cl)ccc21 32607817 KOCMRFPZIGRPGM-UHFFFAOYSA-N 386.835 3.944 0 40 GHAB CNC(=O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(C)cc1)CC2 548289348 XYXCCWMFJGWUFY-JXAWBTAJSA-N 399.494 3.848 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 30939577 XXPZBERODVDPLA-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB Cc1ccccc1C(=O)N1CCO[C@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306140885 VGDIYSKNTXDOHB-QFIPXVFZSA-N 398.466 3.918 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70638136 HZUNKDBLFAPVND-QGZVFWFLSA-N 390.491 3.641 0 40 GHAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccc4c(c3)OCO4)o2)n1 79492565 YWQJQWYMTBZRTA-UHFFFAOYSA-N 383.429 3.960 0 40 GHAB O=C(CSC(=S)N1CCc2ccccc2C1)Oc1ccc(F)cc1F 215689026 MJQDZHJWPRJVRE-UHFFFAOYSA-N 379.453 3.947 0 40 GHAB Cc1ccc(SCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 216492247 UESKELCMXXJDTB-UHFFFAOYSA-N 398.937 3.542 0 40 GHAB COc1ccc(CNC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)c(OC)c1 72329504 AAWNNBOVIJYIKB-UHFFFAOYSA-N 384.407 3.638 0 40 GHAB CSc1ccc(-c2noc(-c3nn(-c4cccc(F)c4)ccc3=O)n2)cc1 33300436 CSJVUEYOXBFMLT-UHFFFAOYSA-N 380.404 3.811 0 40 GHAB CC(C)c1nccn1-c1nccnc1[C@H]1CCCN(C(=O)Cc2ccccc2)C1 72350579 WVDMIWGDSJMFTE-IBGZPJMESA-N 389.503 3.734 0 40 GHAB CC[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc(C)cc1C 222443598 KGWIUQJSOJLKPD-LJQANCHMSA-N 388.533 3.889 0 40 GHAB COc1ccc(Cl)cc1NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225723636 XSJWZIXPHPDSMW-UHFFFAOYSA-N 377.227 3.956 0 40 GHAB C[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1nc(C2CC2)no1 48340824 JLDMNOQGWDDBJE-QMMMGPOBSA-N 398.370 3.675 0 40 GHAB COc1ccc(CSCC(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1 225169460 DLTJRJBXJWUCAY-CQSZACIVSA-N 375.490 3.823 0 40 GHAB COc1cccc(OCC(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)c1 77184165 FMCZTERROGWHAA-DEOSSOPVSA-N 391.467 3.765 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc2c(c1)CCCC2 223059572 KEIJCMVTBFUMIL-OAQYLSRUSA-N 386.517 3.953 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1Cl 224782003 UBYQOHKGTOTWQL-UHFFFAOYSA-N 390.892 3.748 0 40 GHAB O=C(Nc1ccc(F)cc1)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 77200550 JELBBDWDKNGQLY-UHFFFAOYSA-N 392.438 3.586 0 40 GHAB Cc1c(C(=O)N[C@@H](CC(C)C)c2ccccc2)cccc1N(C)S(C)(=O)=O 222441224 YJGLCMIXFCIGOR-IBGZPJMESA-N 388.533 3.908 0 40 GHAB Cc1ccc(C(=O)N(C)Cc2ccco2)cc1N(C)S(=O)(=O)c1ccccc1 224505297 FIUVOTGGAUNFIL-UHFFFAOYSA-N 398.484 3.685 0 40 GHAB CN(C)Cc1cccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c1 44504045 XRXKSTWEUGQQES-UHFFFAOYSA-N 399.292 3.949 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)COc1ccccc1 225457724 DBCOPBLAAWWDPT-NQIIRXRSSA-N 382.504 3.788 0 40 GHAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)NC3CCCC3)CC2)Oc2ccccc21 96242938 DVNWVEAYDXETRJ-KRWDZBQOSA-N 399.535 3.518 0 40 GHAB COc1ccc2c(ccn2CCNC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)c1 96114374 XYFPMCHEDBXEBL-UHFFFAOYSA-N 393.443 3.578 0 40 GHAB biogenic O=S(=O)(Cc1ccccc1)N1CCC[C@@]2(CCCN2CC2CCCC2)C1 96071351 DSTWWHGAHXUMFU-NRFANRHFSA-N 376.566 3.637 0 40 GHAB O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1cnc(-c2ccncc2)s1 534751780 GCSNHPPDVKOSKK-UHFFFAOYSA-N 399.439 3.586 0 40 GHAB CSCC[C@H](NC(=O)c1cc(-c2cccnc2)n[nH]1)c1nc2ccccc2[nH]1 96231214 AMQGMHRYBKAEKD-INIZCTEOSA-N 392.488 3.572 0 40 GHAB CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)c4cc[nH]n4)CC3)C[C@@H]21 257220036 DJGCIXXNMMMVGD-QFBILLFUSA-N 381.476 3.581 0 40 GHAB O=C(NC[C@@H]1CCOC1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1 41366487 JXDWIAWFQCIPJA-NSHDSACASA-N 380.275 3.823 0 40 GHAB CCC(=O)N(C)c1ccc(NC(=O)NCc2ccc(Cn3cccn3)cc2)cc1 1680259098 DMTXLSCRISTEHL-UHFFFAOYSA-N 391.475 3.626 0 40 GHAB CO[C@](C)(CNS(=O)(=O)Cc1cc(F)ccc1F)c1cccc(Cl)c1 96392978 DFKFDIASTXTIRB-QGZVFWFLSA-N 389.851 3.599 0 40 GHAB CCCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccccn1)C2 585106833 JGSXGDPGBZGFJT-HSZRJFAPSA-N 387.487 3.629 0 40 GHAB O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccccc1F 844826 BZYKPINZMROJKY-ZROIWOOFSA-N 393.155 3.775 0 40 GHAB O=Cc1ccccc1OC(=O)CCCN1C(=O)S/C(=C\c2ccccc2)C1=O 1470419 IUQVTKBOJHHFIM-AQTBWJFISA-N 395.436 3.921 0 40 GHAB COc1ccc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cccc(OC)c2OC)C3)cc1 12361640 INIHHFYWYVMQGQ-VXMMSVGHSA-N 397.515 3.832 0 40 GHAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1)NCc1ccco1 15673678 DURVEXOQNPXBPY-OALUTQOASA-N 399.535 3.865 0 40 GHAB biogenic,in-vitro O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccccc1O 16711941 ORAFPFXVNNVFAP-NPDFUIFFSA-N 380.425 3.623 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(C(=O)CC4CCCC4)[C@H]23)cc1 19019294 LHXRQLWTPYEURL-MQSCRBSSSA-N 384.520 3.581 0 40 GHAB O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)[C@H]1CCCO1 19332825 JWAKBCGJSVFDGY-LJQANCHMSA-N 376.928 3.521 0 40 GHAB CCCN1CCN(CC2CC2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O 19503336 FJPOMCPEMSPQBT-QFIPXVFZSA-N 377.532 3.872 0 40 GHAB CC(=O)c1cnc2cc(C(=O)NC3(c4cccc(F)c4)CCCC3)nn2c1C 19552923 ONCXJERIGIJUGZ-UHFFFAOYSA-N 380.423 3.579 0 40 GHAB COc1ncc(CN2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cn1 19564411 BXJCGDGMOXHONY-ZDUSSCGKSA-N 389.406 3.647 0 40 GHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)n1 19572805 WBQMYNLZCBQABA-IEBWSBKVSA-N 391.519 3.988 0 40 GHAB CCOC(=O)/C=C(\CC(=O)OCC)Nc1ccc(C(=O)c2ccccc2)cc1 5422469 XGYOFTXYKXQMKF-XMHGGMMESA-N 381.428 3.730 0 40 GHAB COc1cc(C(=O)N2CCC(c3cc4cccnc4[nH]3)CC2)cc(OC)c1OC 12133417 PEUIHFUGIKPDJV-UHFFFAOYSA-N 395.459 3.609 0 40 GHAB Clc1ccc(-c2nc(NCCc3cnccn3)ncc2-c2ncc[nH]2)cc1 12221824 KILCCPBNVKFVNT-UHFFFAOYSA-N 377.839 3.632 0 40 GHAB Cc1ccnn1CCSCC(=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1 19238530 AIBKMFADPHMAQS-HXUWFJFHSA-N 394.544 3.879 0 40 GHAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCN(C(=O)c3ccccc3)C2)n1 2037835923 KPCKRYIGMCOPKY-INIZCTEOSA-N 379.489 3.923 0 40 GHAB Cc1ccc(CN2CCC3(CCCc4cccc(n4)OCCOC3)CC2)cn1 2037978462 XNWNILBNAIQHPW-UHFFFAOYSA-N 381.520 3.799 0 40 GHAB Cc1ccc(C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1 4375626 OHXBQYAXIFZQRD-UHFFFAOYSA-N 380.448 3.878 0 40 GHAB CC(C)C(=O)N1CCCc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc21 5099658 JAEWKVLBVJEGSV-UHFFFAOYSA-N 394.443 3.701 0 40 GHAB CCOC(=O)COc1ccccc1C1=NN(C(C)=O)[C@@H](c2ccc(CC)cc2)C1 5043634 RXIIPPTZVVTILL-OAQYLSRUSA-N 394.471 3.889 0 40 GHAB Cc1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1 9708956 WHFSRPKTSYOATM-UHFFFAOYSA-N 380.427 3.643 0 40 GHAB Cc1cccc(Nc2nc(N3CCN(C)CC3)nc3c2cnn3-c2ccccc2)c1 17135419 GLAOBCKJTKRUDN-UHFFFAOYSA-N 399.502 3.619 0 40 GHAB COc1ccc(COC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 14704667 UUJJJILUOWYUTL-UHFFFAOYSA-N 385.485 3.767 0 40 GHAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242769 OYRBRGMPBNCGCS-MXNKGDRCSA-N 389.503 3.512 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)N2CCN(c3ccccc3O)CC2)n1 40104904 VDOYUFCVOIDIGN-UHFFFAOYSA-N 391.475 3.549 0 40 GHAB O=C1CC(=O)[C@@H](n2cncn2)[C@H](c2ccccc2Oc2cccc(Cl)c2)C1 100325455 XDHIDACLRRTDAK-PXNSSMCTSA-N 381.819 3.981 0 40 GHAB COc1cccc(C(=O)Oc2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)c1 100552576 MDQMIORZDNAUOH-RTBURBONSA-N 379.412 3.594 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cc3C)C2)cc1 792340 NWIXFOKGDSESQX-GOSISDBHSA-N 386.517 3.651 0 40 GHAB CCNC(=S)Nc1ccc(-c2nc3ccc(NC(=S)NCC)cc3[nH]2)cc1 20835395 KQZPUPZBODERSI-UHFFFAOYSA-N 398.561 3.843 0 40 GHAB CCC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 4848690 HBQHFUGRMFEKIU-UHFFFAOYSA-N 399.476 3.637 0 40 GHAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4OC)cc3n2)cc1 4996751 ZQCLVTZVBXDCJD-UHFFFAOYSA-N 388.427 3.998 0 40 GHAB O=C(CSc1ncnc2ccccc12)NCC1(c2ccccc2)CCOCC1 53395011 APDYJRLTUYFMHP-UHFFFAOYSA-N 393.512 3.587 0 40 GHAB C[C@@H]1C[C@H](Sc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)C(=O)O1 32736611 ASUIJTCJGPZQPL-XCBNKYQSSA-N 391.396 3.976 0 40 GHAB O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccc2c(c1)OCO2 2662127 DJIXOCATNUXENA-UHFFFAOYSA-N 392.411 3.571 0 40 GHAB Cc1noc(C)c1S(=O)(=O)NCCSCc1c(Cl)cccc1Cl 107467254 ORJGONAWCACPLD-UHFFFAOYSA-N 395.333 3.810 0 40 GHAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2cc(F)ccc2C)C(C)C)c1 2623173 JRBDHGXMVWLCIG-IBGZPJMESA-N 388.439 3.544 0 40 GHAB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O 10119110 WICBAMXFONGPTD-LSHDLFTRSA-N 397.258 3.979 0 40 GHAB Cc1ccn2c(NC(=O)Cc3c(C)nn(C)c3C)c(-c3ccc(F)cc3)nc2c1 10517131 TXPZSZKGZSESEB-UHFFFAOYSA-N 391.450 3.980 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(F)cc3F)n2)cc1C 41254968 GYWMIKGCOSZOGY-UHFFFAOYSA-N 397.425 3.512 0 40 GHAB CCc1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 102623727 HNJBLFWFGQOJOJ-LVNJIZSUSA-N 387.435 3.780 0 40 GHAB Nn1c(SCC(=O)c2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 642596 KSUQFZLNOYRQNV-UHFFFAOYSA-N 393.493 3.814 0 40 GHAB Cc1cc2ccccc2n1CC(=O)OCC(=O)c1ccc2c(c1)OCCCO2 21998821 VCHRZRNJEILZIT-UHFFFAOYSA-N 379.412 3.537 0 40 GHAB O=C(COc1ccc(Cl)cc1C1CCCCC1)NCc1nnc2n1CCC2 54151307 SGJFODAOPARUMY-UHFFFAOYSA-N 388.899 3.621 0 40 GHAB CCCOc1ccc(/C=C/C(=O)N(C)C[C@H]2COc3ccccc3O2)cc1OC 23183771 ILCZXFIWJOXNNS-KSEUIEODSA-N 397.471 3.796 0 40 GHAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nc(-c3ccc(Cl)s3)cs1)CS2 23681844 VTWZTGIMMBIBDE-BJOHPYRUSA-N 399.950 3.918 0 40 GHAB C[C@H]1CCN(C(=O)CCN2C(=O)COc3ccccc32)c2ccccc2S1 24585659 PMVSOVATMYQXNU-HNNXBMFYSA-N 382.485 3.720 0 40 GHAB O=C(CSc1nnc(-c2ccc(F)c(F)c2)c(O)n1)c1c[nH]c2ccccc12 24747939 ZPIMFYNKRMHCSL-UHFFFAOYSA-N 398.394 3.979 0 40 GHAB CNS(=O)(=O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1C 7979147 VBZOAUHAKPLVPC-UHFFFAOYSA-N 394.496 3.674 0 40 GHAB C[C@H](CCc1ccco1)NC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 25390304 RCAJPBMVGLHPAZ-GFCCVEGCSA-N 390.896 3.618 0 40 GHAB CCOCCOC(=O)COc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 1769993 PSMYWICVLIUEGS-UHFFFAOYSA-N 398.411 3.852 0 40 GHAB biogenic COc1cc2c(cc1NS(=O)(=O)c1ncn(C)c1Cl)oc1ccccc12 26529068 CIHKPQOHTGZQOR-UHFFFAOYSA-N 391.836 3.782 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2ccsc2c1=O 57425194 NOHWZRQWPHNADV-UHFFFAOYSA-N 395.456 3.877 0 40 GHAB C[C@H]1CCC[C@H](C)N1NC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 44356506 QNNZEHMWUMFNLI-GJZGRUSLSA-N 379.526 3.702 0 40 GHAB CCCCCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 2070777 MXYNGUFQAVBLIJ-UHFFFAOYSA-N 392.912 3.559 0 40 GHAB Nc1nc(SCC(=O)N2CCC[C@@H]2c2cccs2)nc2sccc12 58391720 UUKNFFHWZPLDTM-LLVKDONJSA-N 376.532 3.791 0 40 GHAB O=C(Cn1cnc2ccsc2c1=O)Nc1ccccc1Oc1ccccc1 58378517 BVCUQEUTZYNQMJ-UHFFFAOYSA-N 377.425 3.889 0 40 GHAB COc1ccc(-c2csc(NC(=O)CN3CCc4ccccc4C3)n2)cc1 36384381 JUIYMPZLZXAMFS-UHFFFAOYSA-N 379.485 3.816 0 40 GHAB O=C(O)c1ccc2c(c1)c([C@H](C(=O)O)N1CCCCC1)cn2Cc1ccccc1 36354754 NUSWLXHLGSJUQK-OAQYLSRUSA-N 392.455 3.999 0 40 GHAB O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NCc1cccs1 3350335 WPZPXXCHNCNEIW-UHFFFAOYSA-N 397.428 3.808 0 40 GHAB Cc1cc2oc(=O)cc(COn3nnc4ccc(Cl)cc43)c2cc1Cl 3313538 GWXUAMUCBANVOI-UHFFFAOYSA-N 376.199 3.782 0 40 GHAB COc1ccc(/C=C2\NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 2361283 SXAWQIKMCIUCFC-DHDCSXOGSA-N 378.375 3.976 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)N[C@H]2CCCc3ccccc32)c(C)c1 3367751 ZLCARINOZIQANT-SFHVURJKSA-N 393.516 3.565 0 40 GHAB Cc1csc([C@](O)(CC(=O)Nc2ccc3ncccc3c2)C(F)(F)F)n1 58808465 QCOALOXPUPIEKY-MRXNPFEDSA-N 381.379 3.778 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cccc(OC)c1 2444766 AFZGZNSCCHGTNO-UHFFFAOYSA-N 398.488 3.713 0 40 GHAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C1(c2ccc(C)cc2)CC1 2409378 LHHGYBGOAVNCNI-UHFFFAOYSA-N 378.428 3.942 0 40 GHAB Cc1ccc(F)cc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12787958 QZGIWUMDFSVRHX-UHFFFAOYSA-N 385.464 3.813 0 40 GHAB CCOC(=O)c1ccccc1OS(=O)(=O)c1ccc(C)cc1Br 12931199 DFOCECAEYSKXII-UHFFFAOYSA-N 399.262 3.702 0 40 GHAB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OCC 12909279 IRFSCKLJHBWXLM-UHFFFAOYSA-N 388.489 3.776 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 13000994 LAIVPHIPYZQNJV-UHFFFAOYSA-N 391.814 3.585 0 40 GHAB CCCCNC(=O)NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 13001732 SPNHXPZAQQGPGI-UHFFFAOYSA-N 384.461 3.608 0 40 GHAB CC(=O)c1ccc(NC(=O)COc2ccc(I)cc2)cc1 5050564 MKHMYNUFXJZWCH-UHFFFAOYSA-N 395.196 3.511 0 40 GHAB Brc1ccc(-c2c[n+](-c3ccc4c(c3)OCCO4)c3n2CCC3)cc1 26442070 LTZBPHKBQWXIEL-UHFFFAOYSA-N 398.280 3.912 0 40 GHAB Cc1sc2ncn(CC(=O)N[C@@H](C)c3ccccc3Cl)c(=O)c2c1C 6111123 TUCYGEAWAZQUES-NSHDSACASA-N 375.881 3.606 0 40 GHAB O=C(NC1CC1)c1cccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c1 14022209 KSGWONDMLSPXAC-UHFFFAOYSA-N 382.803 3.591 0 40 GHAB C[C@H](NC(=O)c1csc(-c2ccsc2)n1)c1ccc(-n2cncn2)cc1 14198238 KXCLEJKDBUAESM-LBPRGKRZSA-N 381.486 3.943 0 40 GHAB O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)NC1CC1 6531642 YHAFPVJFSIMKJO-UHFFFAOYSA-N 382.464 3.503 0 40 GHAB CCc1nnc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)s1 6543232 SVUVMVANYLGHJV-UHFFFAOYSA-N 375.885 3.868 0 40 GHAB Nn1c(SCCOc2cccc(Br)c2)nnc1C1CCCCC1 6602743 ZVJKJDGBCLSOSE-UHFFFAOYSA-N 397.342 3.973 0 40 GHAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1 6602847 SAHMAQFBTOGBMR-LBPRGKRZSA-N 380.872 3.856 0 40 GHAB C[C@H](Sc1nnc(N)s1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 5636760 GHNSJFDVQOCNIY-RQJHMYQMSA-N 377.322 3.785 0 40 GHAB O=S(=O)(c1ccc(SCCOc2ccccc2Cl)nc1)N1CCCC1 5704120 TZFKITPEXWRCSS-UHFFFAOYSA-N 398.937 3.691 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cccc(Cl)c2)cc1 5735431 YHJMETCGRRCISW-UHFFFAOYSA-N 381.881 3.728 0 40 GHAB O=C(NC[C@]1(O)CCCc2ccccc21)c1occc1COc1ccccc1 66930534 HYRHPARDYKPEOM-HSZRJFAPSA-N 377.440 3.813 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CCOc1ccc(F)cc1 15101455 URDNUKLMRUVREU-CYBMUJFWSA-N 380.847 3.826 0 40 GHAB CCOc1cc(C(=O)O)c(NC(=O)c2ccccc2OC(F)F)cc1OC 7002323 ZJAYEJHWLNWDEK-UHFFFAOYSA-N 381.331 3.646 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 8729123 NKOGXINVFBBONW-QWRGUYRKSA-N 389.839 3.507 0 40 GHAB O=S(=O)(NCCCn1cnc2ccccc21)c1cccc(Cl)c1Cl 7286629 KMHZQKFHJMXELO-UHFFFAOYSA-N 384.288 3.712 0 40 GHAB Cc1ccc(S(=O)(=O)C[C@@H](C)N2CCN(c3cc(C)ccc3C)CC2)cc1 72242773 WMTSIPYNKNFZIY-HXUWFJFHSA-N 386.561 3.596 0 40 GHAB CC(C)N(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cnn(C)c1 97212400 GRPCBIXOZYUZED-UHFFFAOYSA-N 379.342 3.544 0 40 GHAB Cc1cc(N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)nc(-c2ccncc2)n1 95958372 MKNRHODTKSWBOW-SFHVURJKSA-N 393.878 3.742 0 40 GHAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1C1=Cc2ccccc2OC1 79190465 NNAHMLLQXGJSHP-GHTZIAJQSA-N 390.391 3.677 0 40 GHAB biogenic CC[C@@H](NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C)cc1C 22327661 YESPULGTNWKRFP-HXUWFJFHSA-N 388.533 3.645 0 40 GHAB C[C@H](Oc1ccccc1)c1noc(-c2ccc(=O)n(-c3ccc(F)cc3)n2)n1 545734765 VZCKCUAYLWZRGE-ZDUSSCGKSA-N 378.363 3.562 0 40 GHAB COc1ccc2cc(C(=O)Nc3ccc(OCCN4CCCC4)cc3)[nH]c2c1 524734930 KDFNAUFWBFOVPK-UHFFFAOYSA-N 379.460 3.903 0 40 GHAB CCN(CC)CCOc1ccc(CNC(=O)COc2ccccc2Cl)cc1 32926661 FWJPKVUZPIQFQY-UHFFFAOYSA-N 390.911 3.756 0 40 GHAB Cc1nc(OCC(=O)Nc2ccc(Br)cc2F)c2ccccc2n1 33141672 ZXWLONRLHJCRJU-UHFFFAOYSA-N 390.212 3.857 0 40 GHAB Cc1ccc2[nH]c3c(SCC(=O)Nc4ccc5c(c4)OCO5)ncnc3c2c1 33172566 MPMIFEOXISULKQ-UHFFFAOYSA-N 392.440 3.879 0 40 GHAB COc1cc2c(cc1OC)CCN(Cc1ccc(C(=O)O)c(Cl)c1)CC2 519758847 JMQDSZIMOFZCOA-UHFFFAOYSA-N 375.852 3.656 0 40 GHAB COc1ccc(Oc2cc(C)nc([C@H]3CCN(C(=O)c4cccnc4)C3)n2)cc1 72383762 MHWHUILVBIDJAQ-KRWDZBQOSA-N 390.443 3.611 0 40 GHAB CCCc1nc(S/C(=C\c2cc(Cl)c(OC)c(OC)c2)C(=O)O)n[nH]1 213385324 ZTCQVNFSMSRXIQ-WQLSENKSSA-N 383.857 3.646 0 40 GHAB CC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C)c(C)c1 219139663 NINKNGZTDACOEU-HXUWFJFHSA-N 378.472 3.947 0 40 GHAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN(c2ccc(C3CC3)nn2)C1 606440635 JOFDYPQHMPKCOG-CQSZACIVSA-N 383.521 3.544 0 40 GHAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1ccc(F)c(Cl)c1 225737380 ZNZCDERDFRGQRV-UHFFFAOYSA-N 388.874 3.547 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1 225809060 PVZLQSBAPYYOHG-CYBMUJFWSA-N 383.366 3.677 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 222731593 MTINSCUTTFZPCN-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(C)c1C 223034588 FDNBXIPQEUMNLT-MRXNPFEDSA-N 375.490 3.893 0 40 GHAB Cc1cccc(OCCNS(=O)(=O)Cc2ccc(Br)cc2)c1C 223933848 PHMGSYRZVAYGGE-UHFFFAOYSA-N 398.322 3.564 0 40 GHAB Cc1cccc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 223132639 PUTFYQKLYIJWKG-LJQANCHMSA-N 380.532 3.912 0 40 GHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(F)cc2)cc1 224460681 SWQDQHDPWRIJIX-MOSHPQCFSA-N 378.403 3.814 0 40 GHAB CCCCc1ccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220477389 NFSNTMACYXEDMA-HNNXBMFYSA-N 392.496 3.962 0 40 GHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3c(c2)OCO3)c1 224753781 PDVGGAQMTNYRQU-PDGQHHTCSA-N 390.395 3.726 0 40 GHAB CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1 224014048 JSHYGAVAAWFABS-UHFFFAOYSA-N 390.505 3.724 0 40 GHAB Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1N(C)S(C)(=O)=O 222447927 WDSZJLKUZQZINL-UHFFFAOYSA-N 386.395 3.662 0 40 GHAB O=C(CCC(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1)c1ccccc1 225728636 OWBIGNLZSUROSY-MRXNPFEDSA-N 392.377 3.743 0 40 GHAB COc1ccc(Br)cc1CN1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 224084787 FRJUIIYCYYSTGB-GVDBMIGSSA-N 391.353 3.788 0 40 GHAB CCCCc1ccc(C[C@@H](C(=O)O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1 225166826 DAWCQRLCOMEMLW-FQEVSTJZSA-N 389.517 3.654 0 40 GHAB O=C1CCCN1c1cccc(NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1 77200707 FIVJISJPJDQWRN-UHFFFAOYSA-N 398.406 3.774 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2cccc3ccccc23)c(C)c1C 223575971 IZHWTIGIKXPJKB-UHFFFAOYSA-N 385.485 3.823 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 225468320 RJYIZMBPPCQCDK-IBGZPJMESA-N 382.504 3.788 0 40 GHAB CC1CCN(CCOc2ccc(NC(=O)C(C)(C)Br)cc2)CC1 225594392 NDMARBQMBBILCJ-UHFFFAOYSA-N 383.330 3.909 0 40 GHAB Cc1ccccc1CC(=O)N[C@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1 90591849 BFJQRTYXSJTYRF-SFHVURJKSA-N 390.462 3.529 0 40 GHAB O=C(c1cccc(O)n1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257285644 PIDBYTBXVXKHHT-QGZVFWFLSA-N 383.835 3.997 0 40 GHAB C[C@H]1Cc2ccccc2CN1C(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 669188349 UFZJCWZCTPPVLX-LBPRGKRZSA-N 389.377 3.891 0 40 GHAB COCC1CCN(Cc2cccc(-c3nc(O)cc(-c4ccncc4)n3)c2)CC1 67834403 FHMKQCFEVFGVQF-UHFFFAOYSA-N 390.487 3.770 0 40 GHAB Cn1cc(-c2cccs2)nc1CCNC(=O)C1(c2ccccc2)CCOCC1 90606966 FVLNJYGMAZPHGP-UHFFFAOYSA-N 395.528 3.556 0 40 GHAB C[C@@H]1CCn2ncc(C(=O)N3CCC([C@@H](CC(=O)O)c4ccccc4)CC3)c2C1 621544412 WDXPTECZTFZOKQ-APWZRJJASA-N 395.503 3.576 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)CN[C@H](C)c1ccccc1Cl 57405606 MXXWZLQEBYNTPZ-GFCCVEGCSA-N 375.856 3.596 0 40 GHAB CC(=O)O[C@@H]1OC[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]1SCc1ccccc1 5080475 BEQMQIJYJMGIHC-HCXYKTFWSA-N 378.490 3.652 0 40 GHAB CCc1cc2c(=O)n([C@H](C)C(=O)Nc3cc(Cl)ccc3OC)cnc2s1 5550661 RCSQHYKKVMMJCD-SNVBAGLBSA-N 391.880 3.882 0 40 GHAB CCCCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CCCC 11512869 WDVCRORTHVOWPH-UHFFFAOYSA-N 381.567 3.883 0 40 GHAB COCCC(=O)N1CCC(c2nc3ccc(F)cn3c2NC2CCCC2)CC1 12127929 FXMYNZBUSWLZOV-UHFFFAOYSA-N 388.487 3.570 0 40 GHAB COc1ccc2c(c1)C=C(CN1CCC[C@@](O)(c3ccc(F)cc3)CC1)CO2 12251863 ULUWDLHCBOMXDH-QHCPKHFHSA-N 383.463 3.984 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CNc3ccc(C(F)(F)F)cc3)ccc21 12606489 VEFWECQVBQQCBE-UHFFFAOYSA-N 377.366 3.665 0 40 GHAB COc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2C)c(OC)c1OC 14000952 WALMVGPXNVPFFN-OAHLLOKOSA-N 393.443 3.681 0 40 GHAB O=C1NCCN(C(=O)c2ccccc2)C[C@H]1Cc1ccc(-c2ccccc2)cc1 19374199 IFCHUCRKYRYORM-HSZRJFAPSA-N 384.479 3.785 0 40 GHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@H]2C[C@@H]2C)C1 19528823 DJIXBWOOIWQXMQ-GRWTVWFQSA-N 396.556 3.968 0 40 GHAB COc1ccccc1C1(O)CCN(Cc2cnn(Cc3ccccc3)c2C)CC1 19554519 TXQPOAJTICMAFE-UHFFFAOYSA-N 391.515 3.732 0 40 GHAB CCN(C(=O)c1ccccn1)[C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1 19712663 URUCWJQUSJONDF-CTNGQTDRSA-N 395.503 3.602 0 40 GHAB Cc1nc([C@H]2CCCN(Cc3cccnc3)C2)ncc1C(=O)Nc1ccccc1 19766260 CXPPTRHBLDVRAP-IBGZPJMESA-N 387.487 3.812 0 40 GHAB Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1-c1ccc(OC(F)F)cc1 19911378 PLNMMLCRCGQWQF-UHFFFAOYSA-N 380.301 3.708 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 2663247 AKWDCMIGTWBGCE-HFBDAHEESA-N 382.460 3.884 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2cc(C3CC3)ncn2)C1 206655986 KFLISLXLSUAAMQ-AWEZNQCLSA-N 386.883 3.871 0 40 GHAB C[C@@H](C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1)c1ccccc1 12220847 IZGUZVMMBIONCE-MRXNPFEDSA-N 387.483 3.843 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ncccc1Br)c1csc(C)c1 685938891 CLCGKCXXXIKBPD-GFCCVEGCSA-N 375.313 3.644 0 40 GHAB CCOC(=O)N1CCN(C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)CC1 25513879 JSEFZQLRWLDONE-SAPNQHFASA-N 388.464 3.729 0 40 GHAB CCOc1ccc([C@H](C)NC(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)cc1 26051247 MEAXSRHGUOTHTA-RNOHYWCBSA-N 383.444 3.756 0 40 GHAB CCN(CC)Cc1cccc(NC(=O)CCc2nc(-c3ccncc3)no2)c1 29808355 ZYGGURYBFVDQOQ-UHFFFAOYSA-N 379.464 3.545 0 40 GHAB COc1cc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc(OC)c1OC 4088256 KENJTCSPOXRBPL-UHFFFAOYSA-N 382.441 3.992 0 40 GHAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1OC 4077280 CYMQKFVLFGEQHA-UHFFFAOYSA-N 381.457 3.889 0 40 GHAB CCc1cccc(CC)c1NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 8830450 VUQZOWHNVAUKOW-MAUKXSAKSA-N 381.545 3.789 0 40 GHAB CCn1nc(C)cc1C(=O)N(CCN(C)C)c1nc2ccc(Cl)cc2s1 13699431 WRVMEZIFVMJJJU-UHFFFAOYSA-N 391.928 3.683 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3ccccc3F)n2)cc1 13801274 YJHPGQPVDCXZQR-UHFFFAOYSA-N 380.423 3.570 0 40 GHAB O=C(OCc1cc(-c2ccc3c(c2)OCO3)on1)c1cc(=O)c2ccccc2o1 16838746 UWTVAWKVVIJMLI-UHFFFAOYSA-N 391.335 3.534 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)c(C)c1 101078686 JRIISYBMFGTKNG-HNNXBMFYSA-N 384.501 3.809 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)N1CCS[C@H](c2cccs2)CC1 219544456 UBEZLTRKCBGNAP-HNNXBMFYSA-N 387.523 3.765 0 40 GHAB C[C@H]1CN(c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cn2)C[C@H](C)O1 30018765 IWRRHVCIPXUYMM-HOTGVXAUSA-N 383.467 3.639 0 40 GHAB Cc1ccc(-n2ccnc2SCc2ccc(S(=O)(=O)N(C)C)o2)c(C)c1 40116084 SXAPFOPVYBTDDE-UHFFFAOYSA-N 391.518 3.625 0 40 GHAB CC(C)(CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCCCC1 11594757 BKRRYTUSZSOOJV-MRXNPFEDSA-N 395.956 3.524 0 40 GHAB CC(C)N(C(=O)Cn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21)C(C)C 11692472 BYZCPYZNFLHJBL-MRXNPFEDSA-N 396.491 3.766 0 40 GHAB COc1cc(C)c(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1OC 11648058 XGVDVAONTMMXQB-UHFFFAOYSA-N 393.443 3.636 0 40 GHAB COc1cccc(C(=O)N(CC(C)C)c2nnc(-c3cccnc3)s2)c1OC 1356906 OJERBNQFYARTBG-UHFFFAOYSA-N 398.488 3.920 0 40 GHAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc2ccccc2oc1=O 1351677 BWIVNFJWQRUCGL-UHFFFAOYSA-N 384.819 3.535 0 40 GHAB COc1ccccc1NC(=O)CCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 20715550 JIMFEOVWNIKVJF-UHFFFAOYSA-N 395.434 3.619 0 40 GHAB COc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1Br 6276316 DVNJTSPDOCWSAU-UHFFFAOYSA-N 379.279 3.893 0 40 GHAB Cc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1CCc1ccccc1 6838034 WJNAGAFMHRKZBU-UHFFFAOYSA-N 385.467 3.940 0 40 GHAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc(Br)c(Cl)c1 102093476 DDYBJACGNHZLCX-BRFGJLLKSA-N 396.668 3.810 0 40 GHAB Cc1cc(OCc2n[nH]c(SCC(=O)N3CCCC[C@@H]3C)n2)ccc1Cl 2634079 VGRHMPWUTRKDCO-ZDUSSCGKSA-N 394.928 3.839 0 40 GHAB O=C(COc1ncnc2sccc12)NC(c1ccccc1)c1ccccc1 2645438 GAWOVJNODFCCHB-UHFFFAOYSA-N 375.453 3.976 0 40 GHAB Cc1ccc2nc(-c3ccc(NC(=O)CCSCC(N)=O)cc3)sc2c1 32772197 FIFVYGKZDMGMOA-UHFFFAOYSA-N 385.514 3.819 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 8313347 DYFYMAGTZVLNOA-CQSZACIVSA-N 393.439 3.547 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CN2c3ccccc3CC[C@H]2C)c(C)c1 21472884 NLDWSZYDZXDXBO-GOSISDBHSA-N 379.504 3.508 0 40 GHAB Cc1cc(-c2cc(C(=O)O[C@@H]3C[C@H](C)OC3=O)c3cnn(C(C)C)c3n2)c(C)o1 32883694 OQLFPCDMVGDAJK-KPZWWZAWSA-N 397.431 3.750 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)c12 32869359 JJWFCWPTDKKTSU-ZDUSSCGKSA-N 391.427 3.543 0 40 GHAB Cc1cc2n(CC(=O)Nc3ccc4ccccc4c3)c(=O)c3ccccc3n2n1 32836380 OQYXMBSLECMKCU-UHFFFAOYSA-N 382.423 3.750 0 40 GHAB O=C(/C=C/c1cccc(Cl)c1)NC[C@@H](c1cccs1)N1CCOCC1 29841008 OMJBFSNTZUCWPG-LXXRFIIISA-N 376.909 3.604 0 40 GHAB O=C(NCc1ccccc1)NC1(C(=O)NCCc2ccc(Cl)cc2)CCCC1 32907876 KBNFWSGUKAARPL-UHFFFAOYSA-N 399.922 3.811 0 40 GHAB C[C@@H](Sc1nccn1Cc1ccccc1)C(=O)NC(=O)NC1CCCCC1 32954488 VKERDMRTFGFWPT-OAHLLOKOSA-N 386.521 3.571 0 40 GHAB COc1ccc([C@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)c2ccccc2)cc1 32909417 AQCBXFDAKUOEHN-JOCHJYFZSA-N 394.515 3.795 0 40 GHAB CCOc1cc(C(=O)Nc2ccc(NC(=O)NC)cc2)ccc1OC(F)F 32903284 AKKCKJHUGGNHCR-UHFFFAOYSA-N 379.363 3.690 0 40 GHAB CCn1ncc(CNC(=O)c2ccccc2COc2ccc(F)cc2F)c1C 2787882 KYAHGVBZQLWVLR-UHFFFAOYSA-N 385.414 3.999 0 40 GHAB C[C@H](NC(=O)c1ccccc1OCC(N)=O)C(c1ccccc1)c1ccccc1 33178311 CXOHKJAPNAQRTM-KRWDZBQOSA-N 388.467 3.501 0 40 GHAB COc1ccc(NC(=S)NC(=O)COc2ccc(C)cc2C)cc1Cl 678470 ZPHQORLWTXNPGZ-UHFFFAOYSA-N 378.881 3.857 0 40 GHAB Cc1ccccc1CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 832059 ZIUCIXJABLHBSP-UHFFFAOYSA-N 394.496 3.507 0 40 GHAB CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc(CS(C)(=O)=O)cc2)c1C 24163560 SLKSPBFODIPSKZ-UHFFFAOYSA-N 388.485 3.716 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c1 12409454 IZMXKSVQBVMLRW-LJQANCHMSA-N 389.455 3.861 0 40 GHAB O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCN(Cc2ccncc2)CC1 23872943 LWUCNIGLPBSWNY-UHFFFAOYSA-N 381.476 3.907 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)CSCc3nc4ccccc4[nH]3)ccc12 12582831 RNKAMEZKRKTVHN-UHFFFAOYSA-N 379.441 3.850 0 40 GHAB Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CO[C@H](C(C)C)C4 1258825 REZLXFNZNXSBRA-INIZCTEOSA-N 394.500 3.560 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N(C)C1CCCCC1 20109114 KWJYHWNDECHBON-UHFFFAOYSA-N 392.565 3.820 0 40 GHAB COc1cccc(SCc2nnc(C(=O)NCc3ccc(F)cc3)s2)c1 26128798 MMKLAHKCTOESNE-UHFFFAOYSA-N 389.477 3.908 0 40 GHAB CC(C)N1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 57427791 ZXZYMLTZABCNTB-UHFFFAOYSA-N 392.503 3.842 0 40 GHAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1cc(Cl)ccc1Cl 12650893 ZGKVTKLWXMFBGU-UHFFFAOYSA-N 378.215 3.525 0 40 GHAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1ccc2c(c1)OCO2 3344088 LZVLJWISCUVKNM-UHFFFAOYSA-N 393.370 3.803 0 40 GHAB COc1ccc([C@H](CNC(=O)c2nc(Cl)ccc2Cl)N2CCCC2)cc1 27392136 QFBICTCOXFOAPP-INIZCTEOSA-N 394.302 3.964 0 40 GHAB COc1cccc([C@@H](CNC(=O)Nc2ccc(F)cc2F)N2CCCC2)c1 12743611 LQLGGCXIYNPDBZ-LJQANCHMSA-N 375.419 3.932 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C 27746443 XOIIGHUUHAGAPE-CYBMUJFWSA-N 385.395 3.989 0 40 GHAB CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccccc1C)C(F)(F)F 2272544 DNXMFEMPAJRIDZ-GOSISDBHSA-N 380.366 3.659 0 40 GHAB Cc1nn([C@@H](C)c2nn3c(-c4cccs4)nnc3s2)cc1Br 36357948 HXLWDJOZAYQVDG-QMMMGPOBSA-N 395.311 3.791 0 40 GHAB CCN(C)Cc1cccc(CNS(=O)(=O)c2c(Cl)cccc2Cl)c1 48309508 YKOGWZCQFLUSFK-UHFFFAOYSA-N 387.332 3.924 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cccc(NC(=O)c2ccco2)c1 11181818 OOIPBEYPHBOINZ-UHFFFAOYSA-N 392.411 3.924 0 40 GHAB CCOc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c(OCC)cc1Cl 16780710 OTBYKYSVAYYDET-CHWSQXEVSA-N 375.918 3.804 0 40 GHAB COc1cc(CN(C)C(=O)COc2ccccc2Cl)ccc1OC(F)F 13097681 WKWAKXSZSMWGIV-UHFFFAOYSA-N 385.794 3.987 0 40 GHAB COc1ccc(N([C@H](C)C(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1 6176082 IVOVBUISHRSITM-OAHLLOKOSA-N 398.484 3.642 0 40 GHAB O=C(COC(=O)c1ccc2ccccc2c1O)Nc1ccc2c(c1)OCCCO2 6121224 CWGLLDOCTANUMM-UHFFFAOYSA-N 393.395 3.502 0 40 GHAB CC1(C)OC(=O)C2(Cc3ccccc3N3CC[C@H](c4ccccc4)C[C@@H]32)C(=O)O1 13831065 FFKMTTGOGWVVPB-FXAWDEMLSA-N 391.467 3.818 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Sc2nc(-c3ccc(C)cc3)n[nH]2)cc1 5210921 NJWIRTXBSQANJL-AWEZNQCLSA-N 382.489 3.586 0 40 GHAB COc1ccc(Cc2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1OC 5348856 AYDKYHMIIJISBY-UHFFFAOYSA-N 395.488 3.527 0 40 GHAB O=C(NCc1ccccn1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 6402988 OXEQEIRDZDPDGQ-UHFFFAOYSA-N 397.434 3.998 0 40 GHAB Fc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)SC2)cc1 5456935 ATJTUHQCSHVQKZ-UHFFFAOYSA-N 376.420 3.832 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1nc(-c2ccccc2)cs1 4679011 JNHVANPOFWGMLA-UHFFFAOYSA-N 394.481 3.777 0 40 GHAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1ccccc1F 5560142 KTTRUANZBVZPNJ-UHFFFAOYSA-N 381.407 3.938 0 40 GHAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCC(C)C)ccc23)cc1 6623788 VKWKMHJBXBJHIK-UHFFFAOYSA-N 381.428 3.620 0 40 GHAB biogenic Cc1cc(OCC(=O)N[C@@H](C)CCc2ccccc2)c2c(C)cc(=O)oc2c1 6660055 RRWPOJZQIDXNLL-KRWDZBQOSA-N 379.456 3.926 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)NCCCOC(C)C)s2)cc1OC 6760428 FGBHEOUEAYZZMO-UHFFFAOYSA-N 378.494 3.681 0 40 GHAB Cc1cc2ccccc2n1CC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 8746524 BNOCTOOIKZPRLM-NRFANRHFSA-N 376.435 3.728 0 40 GHAB Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)[nH]c1-c1ccccc1 4945299 WYPAWRWZLVIGFJ-UHFFFAOYSA-N 381.457 3.887 0 40 GHAB COc1ccc(/C=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)O)cc1 4966281 PXWLAUURSFRKPX-FMIVXFBMSA-O 390.506 3.646 0 40 GHAB COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccccc3F)oc12 67293875 SERAIARZJJGRBF-AKURBMMKSA-N 396.418 3.722 0 40 GHAB CCc1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2Br)cc1 408707757 DQRMNQVAMLIMNF-UHFFFAOYSA-N 375.266 3.575 0 40 GHAB O=C(C[C@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccccc1O 8764950 RCRLDEFIHWQGFH-FPVCCHAOSA-N 399.446 3.913 0 40 GHAB biogenic COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc(C)cc(C)c1 7406316 BXJXQFYLXUBXLB-LJQANCHMSA-N 397.471 3.623 0 40 GHAB COc1ccc(-c2n[nH]c(SCc3nc(-c4ccc(F)cc4)no3)n2)cc1 7735308 TYGWTJHFANWODO-UHFFFAOYSA-N 383.408 3.962 0 40 GHAB O=C(OCc1nc(-c2cccs2)no1)c1cc(=O)c2cc(Cl)ccc2o1 7762176 ZPRKPCXYOXNXBS-UHFFFAOYSA-N 388.788 3.915 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2cn(CC(C)C)c(=O)c3ccccc23)c1 71285485 FIJJSHMXLBGLRH-UHFFFAOYSA-N 377.444 3.868 0 40 GHAB O=c1[nH]c(=O)n(CCc2ccccc2)c2nccc(-c3ccccc3Cl)c12 9575281 NFVZZRHNGHWYGC-UHFFFAOYSA-N 377.831 3.648 0 40 GHAB Nc1nc(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n[nH]1 9513319 BVEZJGWSVDICLC-CYBMUJFWSA-N 393.394 3.878 0 40 GHAB O=C(Nc1cc(O)nn1-c1ccccc1)c1ccn(-c2cccc(Cl)c2)n1 95458515 TYNFBWXTLZMXRT-UHFFFAOYSA-N 379.807 3.669 0 40 GHAB CCOc1cc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)ccc1OCc1ccccc1 62715429 WMLQPDIAVRFEJS-SDNYCIMKSA-N 397.471 3.903 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@@H](c1cccnc1)C(C)C 75107312 KBAJIVRKLNQHJC-JOCHJYFZSA-N 376.504 3.983 0 40 GHAB Cc1ccnc(-n2cc(S(=O)(=O)Nc3cccc(OC4CCCC4)c3)cn2)c1 89701868 XZEYSOVEUAKQEL-UHFFFAOYSA-N 398.488 3.698 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccn(COc3ccc(Br)cc3)n2)C1 27972958 ONORPRSSESZULK-ZIAGYGMSSA-N 392.297 3.800 0 40 GHAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 20458172 GTBSMDITHIQMHM-HXUWFJFHSA-N 390.505 3.719 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)Cc3ccc(F)cc3)ccc21 35588185 GBCDGFDSNGXXFZ-UHFFFAOYSA-N 390.524 3.650 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1 408596888 TYMNCTNQUWSGGB-HNNXBMFYSA-N 398.484 3.544 0 40 GHAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 39964101 YZGOVLIYLXIENT-IBGZPJMESA-N 390.443 3.514 0 40 GHAB CCN(Cc1cccc(NC(=O)COc2cccc(C)c2)c1)C(=O)C(F)(F)F 36392571 YAYJRYSPDJACCQ-UHFFFAOYSA-N 394.393 3.923 0 40 GHAB O=C1Nc2ccc(F)cc2[C@@]12CC(O)=Nc1c2cnn1Cc1ccccc1Cl 32106484 QLGLANKGKDCJGI-HXUWFJFHSA-N 396.809 3.954 0 40 GHAB COC(=O)c1ccccc1Cn1nc(-c2cccs2)c2ccccc2c1=O 541291211 ORFCRWWETBBVMY-UHFFFAOYSA-N 376.437 3.960 0 40 GHAB CN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 541816878 KJIYUKSLLOCTNI-ROUUACIJSA-N 396.409 3.509 0 40 GHAB Cc1nc2ccccc2nc1COC(=O)C(O)(c1ccccc1)c1ccccc1 39642167 NYWPEPBQCUTEHA-UHFFFAOYSA-N 384.435 3.918 0 40 GHAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc(OC(F)F)cc1 30177145 TWLDSQQXFMVKSW-MRXNPFEDSA-N 376.359 3.658 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)o2)cc1 39773063 BHGVIZDDGBFLAI-UHFFFAOYSA-N 394.431 3.982 0 40 GHAB COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)n2)c1 219303969 NFRPJQLOGCURGT-INIZCTEOSA-N 395.459 3.754 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2Cc3ccccc3C2)cc(C(F)(F)F)n1 225893176 JIABJYZTNMOMNQ-UHFFFAOYSA-N 395.454 3.958 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220521665 WTAZLPIIRCQDJG-FXAWDEMLSA-N 388.533 3.725 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)N[C@H](c3ccccc3)C3CCCC3)cnc12 40145843 WZYHHVWYKSAJDZ-JOCHJYFZSA-N 375.472 3.753 0 40 GHAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1C 223487090 GYOIQVOQNJJDDY-QGZVFWFLSA-N 388.533 3.807 0 40 GHAB CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224829047 HKWOBZMXOSIVLX-UHFFFAOYSA-N 388.272 3.980 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 222953676 QNUBNHWBBKLEID-OAQYLSRUSA-N 390.483 3.772 0 40 GHAB O=S(=O)(NCCCNc1ccnc2cc(Cl)ccc12)c1ccc(F)cc1 222989125 QQNGISDOCKTPLO-UHFFFAOYSA-N 393.871 3.808 0 40 GHAB COC1(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)CCCCCC1 225630416 VVOAHPWDPGIATA-UHFFFAOYSA-N 388.508 3.756 0 40 GHAB CCc1cc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)CC)ccc1OC 223682522 OLDCBHNSJMUVIS-CQSZACIVSA-N 390.505 3.587 0 40 GHAB CCN(c1ccc(C(=O)NCCCc2ccc(C)cc2)cc1)S(=O)(=O)CC 222400527 LAMMRZHMNKPTOU-UHFFFAOYSA-N 388.533 3.534 0 40 GHAB Cc1ccccc1-c1nc2sc(=Cc3ccc(C(C)(C)C)cc3)c(=O)n2n1 254739541 LKXWMAMKRIVMBS-UHFFFAOYSA-N 375.497 3.972 0 40 GHAB O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@H](c2noc(-c3cccs3)n2)C1 253407297 VVBBPTHRBFIKSJ-NSHDSACASA-N 394.378 3.842 0 40 GHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(Cc1coc(C)n1)C3 257220407 DKSQXLMUBOBQBP-PKOBYXMFSA-N 384.476 3.742 0 40 GHAB Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)C3(C)CCN(C)CC3)CC2)c1 257302229 SCAKRPFMMLAANV-UHFFFAOYSA-N 396.535 3.791 0 40 GHAB O=C(Nc1ncn(C2CCCCC2)n1)N[C@@H](Cc1ccccc1)c1ncco1 654036638 FDDMRLFWUXBUQL-KRWDZBQOSA-N 380.452 3.877 0 40 GHAB O=C1CCCc2cc(C(=O)Nc3cc(-c4cccc(F)c4F)[nH]n3)ccc2N1 675528611 VYJBXPNBXPPPIU-UHFFFAOYSA-N 382.370 3.882 0 40 GHAB CC(C)c1nc([C@@H]2CCCCCN2C(=O)C[C@H](C(=O)O)c2ccccc2)no1 634911312 VURGXHUWEBMXJF-IRXDYDNUSA-N 385.464 3.895 0 40 GHAB CSc1nnc([C@H]2CCCN(CC(=O)Nc3cccc4ccccc34)C2)n1C 5001436 TWDSWSJEQVQMNT-INIZCTEOSA-N 395.532 3.508 0 40 GHAB COc1ccc([C@@H]2CC(=O)c3cnc(NCc4ccco4)nc3C2)c(OC)c1 5575351 VWNFYKMEXTUOQE-ZDUSSCGKSA-N 379.416 3.612 0 40 GHAB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 5872805 IOIRLXIGMJOUGS-RCCKNPSSSA-N 398.418 3.932 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)COC(=O)CCSc1ccccc1 5991313 OVAZPEFZWZJMDA-UHFFFAOYSA-N 387.457 3.527 0 40 GHAB COc1ccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc1 11715897 HQJKWOGIKJYUAC-SFHVURJKSA-N 382.504 3.765 0 40 GHAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)CCc3ccc(C)o3)C2)on1 12118457 JNRJCJNWXPUVRA-MRXNPFEDSA-N 380.448 3.680 0 40 GHAB CCCc1ccc(C(=O)N2CCC[C@@H](n3nc(-c4cccs4)ccc3=O)C2)o1 12129419 XNRGAKFIDQIWEP-OAHLLOKOSA-N 397.500 3.995 0 40 GHAB CCC[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 13583334 KSRVJVUHRIGQEH-INIZCTEOSA-N 386.517 3.665 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2C)c(OC)c1 19239641 ZDJBNMYYZPAZQQ-LJQANCHMSA-N 392.459 3.775 0 40 GHAB C[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C)n1cccn1 19455386 LXXWRSNWPBHUTH-DXKRWKNPSA-N 380.536 3.703 0 40 GHAB CCc1nccn1C[C@@H](C)C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 19523591 DWXXTKVRLQLXOS-IIBYNOLFSA-N 385.508 3.756 0 40 GHAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCN(c2ccccc2OC)CC1 19901822 CVVVPKJABJVSLX-WOJBJXKFSA-N 398.547 3.771 0 40 GHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc(F)c(F)c1F 19937743 KOKRIZGHFTURQN-UHFFFAOYSA-N 393.752 3.689 0 40 GHAB COc1cc(/C=C2/SC(=S)N=C2O)cc(Br)c1OC(C)=O 2536830 VEMCSQICESSMHI-BJMVGYQFSA-N 388.264 3.712 0 40 GHAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)[nH]c1C 6325013 WSQXEBZDQUAGBB-KEBDBYFISA-N 387.281 3.939 0 40 GHAB C[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2cccc(Br)c2)C1=O 5527918 PDVILXIJQRXXNC-QGHHPUGFSA-N 389.274 3.723 0 40 GHAB COc1cccc(CN2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)c1 19564880 ZBKDDUSNDYAPRP-UHFFFAOYSA-N 394.924 3.527 0 40 GHAB Cc1ccc(C)c([C@H]2CCCN2CC(=O)NCc2nc3ccccc3n2C)c1 19715490 SWCDNOWBQLXGAM-HXUWFJFHSA-N 376.504 3.643 0 40 GHAB COc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1OC 24931468 UBKFULMDHYCPKU-IBGZPJMESA-N 391.471 3.756 0 40 GHAB CC(C)c1noc(CN2CCC[C@@H](COc3ncccc3C(F)(F)F)C2)n1 1775995591 ARLSYNGUZRQBRG-CYBMUJFWSA-N 384.402 3.898 0 40 GHAB Cc1cccc(CN2CCC[C@]3(CCCN(C(=O)c4ncccc4C)C3)C2)n1 2056224846 YYIQZYZPSLMTMO-QHCPKHFHSA-N 378.520 3.612 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)c1 5099585 GVTBRFQZCUQKBO-UHFFFAOYSA-N 384.501 3.793 0 40 GHAB CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 8840823 KHUQVSFBFUTOSS-UHFFFAOYSA-N 376.453 3.562 0 40 GHAB COc1cccc(NC2(C(=O)N(C)C)CCN(Cc3ccc(C)s3)CC2)c1 2055747554 GLNUFJCHDTWIFT-UHFFFAOYSA-N 387.549 3.600 0 40 GHAB O=C1[C@@H]2[C@@H]3CCCN3[C@H](c3ccc4ccccc4n3)[C@@H]2C(=O)N1c1ccccc1 100194909 RKOONEMLJYTHIL-DXBBTUNJSA-N 383.451 3.560 0 40 GHAB COc1ccc(OC)c(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)c1 49004543 TUYJWJTWFCANBF-UHFFFAOYSA-N 392.459 3.935 0 40 GHAB CCOc1ccccc1NC(=O)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 585318942 CKXHYGGANDBYQG-KRWDZBQOSA-N 377.448 3.823 0 40 GHAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 40122294 YDOUZHMNQSJDEN-HNNXBMFYSA-N 386.879 3.978 0 40 GHAB Cc1ccc(SCCNC(=O)CCn2c(C)nc3ccccc3c2=O)cc1C 29001667 AQYRRZGQKLJINT-UHFFFAOYSA-N 395.528 3.620 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)Nc3nc4c(s3)CCCC4)n2C)c1 896979 ZHCOWBGFPSLAOM-UHFFFAOYSA-N 399.545 3.857 0 40 GHAB Cc1nnc(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)n1C1CC1 7533805 IZSMNKHBGZPHJQ-SFHVURJKSA-N 384.530 3.981 0 40 GHAB Cc1ccc(-n2nc3c(=O)n(CC(=O)c4ccc(F)cc4)nc(C)c3c2C)cc1 1016786 JQIKCUFCURGYGA-UHFFFAOYSA-N 390.418 3.529 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)N2CCCC2)n1Cc1ccccc1 1361222 UYVWAEWYCNASRV-UHFFFAOYSA-N 382.489 3.609 0 40 GHAB Cc1ccc2c(c1)N(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)CO2 1362116 RISRKTDUKYDREU-UHFFFAOYSA-N 386.451 3.626 0 40 GHAB CN(C)Cn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 20648921 VYCXTCBESYMSTR-UHFFFAOYSA-N 396.922 3.776 0 40 GHAB Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2C(C)C)cc1 4948297 VLPWOMBZDLBVQY-UHFFFAOYSA-N 381.501 3.694 0 40 GHAB CCC(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@@H]1c1cccs1 6202848 SOHSQBVITSYAFK-MRXNPFEDSA-N 391.518 3.597 0 40 GHAB Cn1c(=O)c(C(=O)C[C@@H](Nc2cccnc2)c2ccco2)c(O)c2ccccc21 100362514 QCYKLLADCZBTMM-MRXNPFEDSA-N 389.411 3.658 0 40 GHAB COc1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(OC)c1 2626064 BOFYULVMAZPMHG-UHFFFAOYSA-N 391.423 3.952 0 40 GHAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C(C)=O)s2)cc1Cl 32776895 LIGMOEVQZYOGRO-JTQLQIEISA-N 381.837 3.797 0 40 GHAB C[C@H](NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O)c1ccccc1 10360811 MOEZKLCWMHXISS-INIZCTEOSA-N 388.533 3.628 0 40 GHAB O=C(OCc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1ccc(F)cc1 8605508 JSGRBWDUBGJBSA-UHFFFAOYSA-N 387.436 3.695 0 40 GHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(OC)cc3OC)cc21 8959499 NNZUWVJZMZTBNQ-UHFFFAOYSA-N 398.459 3.728 0 40 GHAB COc1ccc(OC[C@@H](O)CN(C)Cc2c(C3CC3)[nH]c3ncc(C)cc23)cc1 57773788 PGGQAIYTQMIECZ-KRWDZBQOSA-N 395.503 3.629 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)N(C)C)cc1 9314396 OFPKJWZGOUPLFJ-QGZVFWFLSA-N 382.382 3.627 0 40 GHAB CC(C)OCCCNC(=O)C1CCN(c2ncnc3c2oc2ccccc23)CC1 33290422 VJNJBMDZVNXNEQ-UHFFFAOYSA-N 396.491 3.524 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)sc2c1CCCC2 2708377 UGIUUZDDVXKLCU-HNNXBMFYSA-N 399.468 3.524 0 40 GHAB Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)c1 993229 WUTIINJUJIMRIF-INIZCTEOSA-N 385.847 3.736 0 40 GHAB C[C@H]1CCc2c(sc3nnn(Cc4cccc(Br)c4)c(=O)c23)C1 958827 DKGCZIHCWQWFDD-JTQLQIEISA-N 390.306 3.789 0 40 GHAB C[C@H]1CN(CCCNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@@H](C)O1 23509605 RCADCYLXYKKLIZ-CALCHBBNSA-N 386.467 3.847 0 40 GHAB CCC1(CC)NC(=O)N(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)C1=O 23732470 XCFKEBBEXVJLGA-INIZCTEOSA-N 393.487 3.641 0 40 GHAB c1ccc(-n2nnnc2CN2CCc3sccc3[C@@H]2c2cccs2)cc1 23968550 ZFELHFQAGKHTDR-LJQANCHMSA-N 379.514 3.933 0 40 GHAB Cc1ccc(F)c(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c1 23976099 YGNSFVMKUUYVBD-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB CCc1ccc2c(CNc3ccc(N4CCCS4(=O)=O)cc3)cc(=O)oc2c1 42854536 KNNZCSKXSMZHCS-UHFFFAOYSA-N 398.484 3.507 0 40 GHAB CCc1ccc(N(CC(=O)O)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 113884583 DGFDZUDYEZVXQO-UHFFFAOYSA-N 388.272 3.836 0 40 GHAB CCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccco3)n2)nc1C 24752784 MGGHQWYBYQWBAY-UHFFFAOYSA-N 377.447 3.526 0 40 GHAB Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)nc1 24831162 WEFAGDGVGJFSNA-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB O=C1CCSc2ccc(C(=O)N[C@@H](Cc3ncc[nH]3)c3ccccc3)cc2N1 12507517 XZVGASJTRQMVEG-INIZCTEOSA-N 392.484 3.558 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2CCN(C)C(=O)C2)cc1F 56461569 IXMNNJDPPRKDNN-CQSZACIVSA-N 386.423 3.742 0 40 GHAB CN(Cc1ccccc1N1CCCCC1)Cn1ncc(Cl)c(Cl)c1=O 12548986 CPDNYOBWJAUBKZ-UHFFFAOYSA-N 381.307 3.630 0 40 GHAB CCCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccccc3)C(=O)CC)C2=O)cc1 1818832 FBZVZKIKBBIGSH-HXUWFJFHSA-N 394.471 3.546 0 40 GHAB CCCO[C@@H]1CCCN(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)CC1 108567837 GNJVRSJHOCXXLR-GOSISDBHSA-N 390.524 3.726 0 40 GHAB CCCn1ccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)n1 28242120 MGRDTSMPNAKYIP-UHFFFAOYSA-N 388.269 3.553 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 3288786 GFFNEEJQJKEHLO-MCMMXHMISA-N 381.476 3.796 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2OC)cc1C 27746435 MUEVAVLUDKIANG-AWEZNQCLSA-N 397.431 3.858 0 40 GHAB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2CCCCC2)cc1O 10433997 SDWGOKHNXBHAQL-QGZVFWFLSA-N 399.516 3.626 0 40 GHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)C(C)(C)C)cc1OC 2238174 JXKWXPCCVJCSTQ-UHFFFAOYSA-N 384.476 3.661 0 40 GHAB CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccc(O)c(OC)c1 2289265 NPWPBZTVFJKHEC-IBGZPJMESA-N 391.423 3.812 0 40 GHAB O=C(NC1CCN(CC2CCCC2)CC1)c1ccc(F)cc1Br 58431042 YQZGRLQZWOUBKK-UHFFFAOYSA-N 383.305 3.973 0 40 GHAB C[C@@H](NC(=O)CN1C(=O)CC2(CCCCC2)C1=O)c1cccc2ccccc12 12601166 IAPXPTWMXJLUHO-MRXNPFEDSA-N 378.472 3.726 0 40 GHAB CC[C@H](C)NC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2374287 KSCUIJNCDFAGTP-HNNXBMFYSA-N 387.487 3.938 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 8562973 TXEKUHROTWFKGI-GOSISDBHSA-N 382.460 3.635 0 40 GHAB CCC(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccc(OC)cc1)N2 2423887 SKQVSZXJHBGSGS-MSOLQXFVSA-N 395.438 3.921 0 40 GHAB Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccc(Br)cc1)N2 2447865 TZUSSKIQTKTQNI-LSDHHAIUSA-N 388.244 3.908 0 40 GHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)c1 3397832 ZGRQZOHHDPCZJG-UHFFFAOYSA-N 399.230 3.510 0 40 GHAB CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 7669456 TVQHRESPODGQRE-OAQYLSRUSA-N 394.496 3.656 0 40 GHAB CCOc1ccc(-c2nnc(S)n2CC(=O)N(C)[C@@H](C)c2ccccc2)cc1 12750628 YFPUXXZMTYDGRV-HNNXBMFYSA-N 396.516 3.852 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1C(=O)c1ccc(Cl)cc1 12861180 XSYKKSBKKYSPGB-UHFFFAOYSA-N 391.814 3.993 0 40 GHAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(C(=O)c2ccc(F)cc2)CC1 3411049 DMSBCAIPFHYZCU-OAQYLSRUSA-N 380.463 3.872 0 40 GHAB Cc1cccc(-c2noc(-c3ccc(S(=O)(=O)NCc4ccccc4)o3)n2)c1 38489273 BTEYUOJLNOXNJS-UHFFFAOYSA-N 395.440 3.784 0 40 GHAB O=C(OC[C@@H](O)CNC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 4021034 XHRPEIKGBFXGFV-NUTFXNGOSA-N 387.564 3.665 0 40 GHAB O=C1N/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccccc1F 4498452 DFMQZGALHCIILC-OQLLNIDSSA-N 375.197 3.681 0 40 GHAB Cc1sc2ncn(CC(=O)N[C@H](C)c3cccc(Cl)c3)c(=O)c2c1C 5319521 ALOSJKUJAZMGML-LLVKDONJSA-N 375.881 3.606 0 40 GHAB CCCOC(=O)c1ccc(Oc2cc(-n3ncc(C(C)=O)c3C)ncn2)cc1 5354875 COLAIKQAWIZXFJ-UHFFFAOYSA-N 380.404 3.532 0 40 GHAB CCOc1ccc(-c2nc(NC(=O)[C@@H](NC(C)=O)C(C)C)sc2C)cc1 14167408 DCSMYROXADEYBW-INIZCTEOSA-N 375.494 3.616 0 40 GHAB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(Oc2ccccc2)cc1 6529967 LFLGUBIQMIGVDF-UHFFFAOYSA-N 390.226 3.981 0 40 GHAB CCOc1ccccc1OCCC(=O)NCCc1ccc(OC(F)F)cc1 6610178 BOPAMIVMXUJZGQ-UHFFFAOYSA-N 379.403 3.815 0 40 GHAB O=C(Cc1ccc(Br)cc1)NC[C@H](c1ccco1)N1CCCC1 5704797 YBSNIAYCPYIURV-MRXNPFEDSA-N 377.282 3.538 0 40 GHAB O=C1CCS[C@@H]2CCCC[C@@]2(C(=O)NC2CCCCC2)N1Cc1ccco1 17172996 KSTDDNXHTUFING-WIYYLYMNSA-N 390.549 3.875 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6968560 OHOQUYOMXLIIPC-ZDUSSCGKSA-N 382.441 3.987 0 40 GHAB COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(C)cc3Cl)C2=O)cc1 71327817 YXDSAURUGCIBIY-UHFFFAOYSA-N 399.878 3.663 0 40 GHAB C[C@@H](OC(=O)c1ccc2cc[nH]c2n1)c1nc2ncc(Br)cc2[nH]1 96013422 BBWCRVLIDJKFMV-MRVPVSSYSA-N 386.209 3.515 0 40 GHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(OC)c(Cl)c4)C3)n2)cc1 9318480 XHKDDJYXNUVFSO-CYBMUJFWSA-N 399.834 3.928 0 40 GHAB O=C(Cc1cccc2ccccc12)NCC(=O)Nc1nc2ccccc2s1 9503529 SLJWOXUMFFXDCR-UHFFFAOYSA-N 375.453 3.747 0 40 GHAB COc1cccc(-c2nnc3sc(-c4cncc(Br)c4)nn23)c1 9530862 AFOZKQZGGAUEIM-UHFFFAOYSA-N 388.250 3.686 0 40 GHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H](C)c1ccc(Cl)cc1 71997730 UEZFKBABEWOIAW-LBPRGKRZSA-N 375.856 3.933 0 40 GHAB CCCn1ccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)n1 28244979 VEASOYUWXHQSRB-UHFFFAOYSA-N 377.370 3.809 0 40 GHAB COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc(Oc3ncccn3)cc2)cc1 72301643 ILPOOUZQQHMIGD-UHFFFAOYSA-N 387.399 3.920 0 40 GHAB COC(=O)Nc1ccc(CNC(=O)Nc2ccc(-c3nnc(C)o3)cc2)cc1 72309735 KSSCDRCQFAOWMB-UHFFFAOYSA-N 381.392 3.545 0 40 GHAB COC(=O)[C@@H](C)[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)c1ccccc1 72310567 XMACIAVNAUBFNU-YWZLYKJASA-N 378.428 3.551 0 40 GHAB CC(C)(O)COc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 72308032 NYOPLOIOPMMDMD-UHFFFAOYSA-N 387.451 3.662 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)OC)cc3c2)cc1 20029949 ZCWOAWDXFLXVCY-UHFFFAOYSA-N 391.470 3.887 0 40 GHAB COc1ccccc1-c1cnc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)o1 95980441 ALYLVZWIDPJDFY-HNNXBMFYSA-N 379.464 3.725 0 40 GHAB CCC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1cc(OC)ccc1OC 95945188 PEZOANRERILIPO-LJQANCHMSA-N 398.459 3.809 0 40 GHAB O=C(Cc1cccs1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 23137339 AYTAQGNGVWKAFO-UHFFFAOYSA-N 389.571 3.820 0 40 GHAB Cc1nc(-c2c[nH]c(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2)cs1 24079727 DZBAYKKYDPJXMQ-UHFFFAOYSA-N 394.500 3.938 0 40 GHAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cc1 408628168 QFAXNTFTGQBCOZ-UHFFFAOYSA-N 386.473 3.619 0 40 GHAB O=C1C[C@H](Nc2ccccc2Br)C(=O)N1c1ccccc1Cl 36635786 OBBREDCSXLIGPU-ZDUSSCGKSA-N 379.641 3.847 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 32109703 XEUXYZLNFNDMQG-KEXZDQNZSA-N 390.244 3.687 0 40 GHAB Cc1nc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)sc1C 32598209 UCPYGTZQWSTQMS-UHFFFAOYSA-N 377.425 3.813 0 40 GHAB O[C@@H](COc1ccc(Cl)cc1Cl)Cn1nnc(-c2cccc(Cl)c2)n1 32927829 KXUZCQIKRJOSNJ-CYBMUJFWSA-N 399.665 3.740 0 40 GHAB CCN(Cc1cccc(NC(=O)c2cccc(COC)c2)c1)C(=O)C(F)(F)F 36761188 MAKMNFLNSUKVJK-UHFFFAOYSA-N 394.393 3.996 0 40 GHAB Cc1ccc2nc(NC(=O)[C@H](C)Cn3nc(-c4ccco4)ccc3=O)sc2c1 61984080 CNRZIASIIZGILD-CYBMUJFWSA-N 394.456 3.696 0 40 GHAB O=C(c1ccccn1)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 72362247 AIMXBBGFTKSITN-UHFFFAOYSA-N 378.407 3.823 0 40 GHAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1ccnn1C 72370753 TUUNAPKIXBXTPQ-INIZCTEOSA-N 396.560 3.982 0 40 GHAB O=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2ccsc2)CC1 48325119 GSDGKZIWFRFXHJ-UHFFFAOYSA-N 386.561 3.933 0 40 GHAB CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccc(OCC)cc2)c1 224606228 FUTHPEYNJWSBRT-UHFFFAOYSA-N 391.489 3.786 0 40 GHAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 223672143 FMECACPWVOFNKD-VQTJNVASSA-N 398.532 3.534 0 40 GHAB CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 40156684 IDZIREOXRBDOEL-HXUWFJFHSA-N 376.460 3.611 0 40 GHAB CCc1nc(-n2cccc2)sc1C(=O)Nc1cc(OC)c(OC)c(OC)c1 49006246 XSTGLRNDJIIKMO-UHFFFAOYSA-N 387.461 3.774 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 223622401 UUWUCPQXDAXTLQ-LJQANCHMSA-N 382.504 3.544 0 40 GHAB Cc1ccc(C)c(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)c1 224028432 LOJIPKVHRBEZDJ-UHFFFAOYSA-N 384.495 3.850 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)OCO3)c(Cl)c1Cl 224621720 CJMCUHLVXQFYJF-UHFFFAOYSA-N 390.244 3.556 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cn1 257296767 REHUOZRYRWLDQD-SFHVURJKSA-N 382.851 3.995 0 40 GHAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1onc(C2CCCCC2)c1C 585081021 YODSOMHASYFIQH-UHFFFAOYSA-N 380.514 3.690 0 40 GHAB O=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1cc(C2CC2)on1 96119646 RURXWSXWJJTIBV-UHFFFAOYSA-N 387.399 3.840 0 40 GHAB O=C(c1nc2ccccc2s1)N1CCC(CSC2=NCCS2)CC1 77101468 JNBZJUSXOLDISE-UHFFFAOYSA-N 377.560 3.985 0 40 GHAB CO[C@@H]1C[C@H](NC(=O)N2CC[C@]3(c4ccccc4)[C@H](C2)C3(F)F)C12CCC2 1616044081 OMSRADOFUHZGIW-LJCCNALRSA-N 376.447 3.562 0 40 GHAB CC(C)(C)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 5136676 YZZXWKDYESYFDJ-UHFFFAOYSA-N 390.480 3.952 0 40 GHAB COc1ccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(C)nc2c1 12608722 DTQWKHODKIFWBY-UHFFFAOYSA-N 380.444 3.542 0 40 GHAB C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13676590 HGSIMIKVWUOIQA-KBPBESRZSA-N 393.380 3.781 0 40 GHAB COC(=O)c1sccc1NC(=O)/C=C/c1cccc(OC)c1OC(F)F 15606750 UDEVIMZIPQLIHC-VOTSOKGWSA-N 383.372 3.797 0 40 GHAB CC(C)C(=O)N1CCC(c2nc(-c3ccccn3)ncc2-c2ccncc2)CC1 19085217 REASKGCUZGSXJV-UHFFFAOYSA-N 387.487 3.963 0 40 GHAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)CC[C@@H]3CCCO3)cc2)on1 19124285 OEUFKKWBEPLCSJ-SFHVURJKSA-N 392.459 3.682 0 40 GHAB Cc1nc([C@H]2CCCN2C(=O)C[C@@H]2C=CCC2)[nH]c(=O)c1Cc1ccccc1 19579204 BWJXRTSGRFDDKW-UYAOXDASSA-N 377.488 3.689 0 40 GHAB COc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 19934792 VKMWZDICHMJYOV-UHFFFAOYSA-N 390.288 3.831 0 40 GHAB Cc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1C 165725862 RDZCSELZJKQOPH-SNHGZMDHSA-N 386.451 3.867 0 40 GHAB O=c1[nH]nc(SCc2cc(Cl)nc(Cl)n2)n1-c1ccc(Cl)cc1 2565149 BCQPYXDVEZPUMM-UHFFFAOYSA-N 388.667 3.603 0 40 GHAB C[C@@H]1CCCCN1C(=O)C1CCC2(CC1)CNC(=O)c1cc(Cl)ccc1O2 19496256 WNIRFYNAOFJUCA-UMRPUCSYSA-N 390.911 3.792 0 40 GHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(OCc2nccn2C)cc1 40119429 QCLSRIWQCRJQRA-INIZCTEOSA-N 379.460 3.807 0 40 GHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)CCc1ccc(S(C)(=O)=O)cc1 245060711 PXLUGQXFDALGMK-HNNXBMFYSA-N 385.485 3.516 0 40 GHAB CCO[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]2(CCCN(Cc3ccccn3)C2)C1 2037873494 PUHVDNSNTFPUEX-UPVQGACJSA-N 393.531 3.501 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccco3)s2)c(C)c1 4077964 ORWLSOLKUKSBAU-UHFFFAOYSA-N 388.474 3.731 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269388 MTSSJXAZDYQLLF-UHFFFAOYSA-N 396.830 3.574 0 40 GHAB O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCc1ccco1 9627834 HAHNMPOCJVPERM-UHFFFAOYSA-N 375.837 3.501 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 13658040 HMSQFQAKJNCBKE-UHFFFAOYSA-N 396.853 3.899 0 40 GHAB CCCOc1ccc(N2C(=O)C[C@H](NCc3ccc4[nH]c(C)cc4c3)C2=O)cc1 20506606 LIMXPADLRXZUMZ-NRFANRHFSA-N 391.471 3.687 0 40 GHAB CCN1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 22918283 ZRKUPALXWBWCIU-LJQANCHMSA-N 376.585 3.659 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2ccco2)o1)c1ccc(OC(F)(F)F)cc1 1775966227 UZDRRFLXYLOZAN-ZDUSSCGKSA-N 381.306 3.902 0 40 GHAB O=C(NC1CCN(c2nc3cccnc3s2)CC1)C1(c2ccccc2)CC1 575605458 ADYPQTDNZJLGPX-UHFFFAOYSA-N 378.501 3.508 0 40 GHAB CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21 9166217 SJRDYGQHHXFBHT-UHFFFAOYSA-N 388.489 3.567 0 40 GHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cn1cc(C(F)(F)F)ccc1=O 30135287 SIBDNWSCMRNMMV-UHFFFAOYSA-N 382.426 3.542 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117400 NGTKHHHVCNBJMS-JOCHJYFZSA-N 379.435 3.583 0 40 GHAB O=C(Nc1cc(F)cc(F)c1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 51317151 RRXFHBWDWRKCIV-UHFFFAOYSA-N 398.413 3.866 0 40 GHAB CC(C)CNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 3465705 OOYVGZWJBPUQAS-UHFFFAOYSA-N 384.480 3.938 0 40 GHAB Cc1ccc(NC(=S)N(CCCO)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 4126934 GRXWRZXAPCBGMI-UHFFFAOYSA-N 395.528 3.726 0 40 GHAB CC(C)COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 4332735 WPOGSBYOEXLQFJ-OAHLLOKOSA-N 399.443 3.677 0 40 GHAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)C1 101641369 WYDWXCJGDBTDEX-OSGPJOMKSA-N 384.476 3.752 0 40 GHAB COc1cc(CNc2nnnn2C)ccc1OCc1ccc(Cl)cc1Cl 4998588 BKXOVROLOPWGHC-UHFFFAOYSA-N 394.262 3.717 0 40 GHAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 6314097 KQUBZSKLBLKUCC-SNVBAGLBSA-N 378.803 3.926 0 40 GHAB O=C(NCc1ccc(CNC(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1 2746860 JOAVYRMTZRDLKS-UHFFFAOYSA-N 380.394 3.825 0 40 GHAB CC(C)(C)OC(=O)C1=NN(c2ccc(Cl)cc2)c2ccccc2S1(=O)=O 21147532 HGDVQQZXMCPLFW-UHFFFAOYSA-N 392.864 3.921 0 40 GHAB COc1ccc([C@@H](CNC(=O)C2CCOCC2)c2c[nH]c3ccccc23)cc1 22871309 UCNIYBVSAHDREM-HXUWFJFHSA-N 378.472 3.851 0 40 GHAB Cc1ccc2oc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cc(=O)c2c1 23739356 ICJFSIMMJDITJK-LJQANCHMSA-N 376.456 3.668 0 40 GHAB CCC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@@H]1c1ccccc1OC 3028917 IYQGTJWDLAMAKB-UWJYYQICSA-N 378.428 3.514 0 40 GHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cnn(Cc4ccccc4)c3)c12 17078863 HOHNEOPGJXVYEC-UHFFFAOYSA-N 386.459 3.651 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)N2CCN(c3ccccc3)CC2)no1 12533580 PCANHMWCEKACTH-UHFFFAOYSA-N 394.500 3.633 0 40 GHAB CN(C)C(=O)[C@H](Sc1nc2cc(Br)cnc2[nH]1)c1ccccc1 12525263 FKFKIMWUUZKHJB-CYBMUJFWSA-N 391.294 3.642 0 40 GHAB CSc1ccc(N2C[C@@H](C(=O)NCCCOC3CCCCC3)CC2=O)cc1 25600329 UKMODLJVNUSJTA-INIZCTEOSA-N 390.549 3.617 0 40 GHAB CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1C 20037397 OWOOLLYXUQVGEK-UHFFFAOYSA-N 380.444 3.546 0 40 GHAB Cc1sc2ncn(CC(=O)N3CCCCCC3)c(=O)c2c1-c1ccc(F)cc1 1980757 UYCFTHRHDXMJLR-UHFFFAOYSA-N 399.491 3.975 0 40 GHAB COc1ccc(C2(CNC(=O)/C=C\c3ccccc3)CCOCC2)cc1OC 12657229 XCGVSHQYXKNSMV-FLIBITNWSA-N 381.472 3.582 0 40 GHAB biogenic COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 118928180 PEANADIJRKRMOK-IQYJXVFTSA-N 390.520 3.929 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 58224824 KOXCQRIUKUOQJU-RTBURBONSA-N 379.847 3.687 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccnc1Nc1cccc(F)c1 44918990 SVRLVQVTRXDUPO-UHFFFAOYSA-N 379.391 3.965 0 40 GHAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@H]1CCCO1 27823096 OBUSMKYGQHWOJX-CQSZACIVSA-N 375.918 3.675 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)cc1 10680658 SGNAJJHSCPYTLQ-ZGQNHIEXSA-N 394.471 3.777 0 40 GHAB O=C(Nc1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1)C1CC1 11180832 ILCZIURYLNNDAA-UHFFFAOYSA-N 376.441 3.995 0 40 GHAB Cc1cccc(CN2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 306130568 JJWBKRWQHONUSQ-HXUWFJFHSA-N 384.487 3.874 0 40 GHAB CCNC(=O)c1cccc(NC(=O)CN[C@H](c2ccc(C)cc2)C(F)(F)F)c1 48310723 GBZPALJLHLYDNC-GOSISDBHSA-N 393.409 3.576 0 40 GHAB CN(C(=O)CSc1nncn1-c1ccccc1)[C@H]1CCCc2ccccc21 8457589 QKEMHERPQADKIH-IBGZPJMESA-N 378.501 3.895 0 40 GHAB COc1ccc(CNC(=O)CCCOc2ccc(Br)cc2)cc1 3411882 JPCBJQNVTNCYPL-UHFFFAOYSA-N 378.266 3.933 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O 3429509 RZHYXWTYUPXJGZ-SFHVURJKSA-N 394.452 3.705 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 12912932 QVQWMDBAVZWSEQ-UHFFFAOYSA-N 399.579 3.865 0 40 GHAB CC(=O)Nc1nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2s1 13685976 LXNRTGOBILSPQU-UHFFFAOYSA-N 378.457 3.709 0 40 GHAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1c(F)cccc1Cl 5233357 WQEDYQORTRNPKB-IBGZPJMESA-N 377.843 3.906 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 4580696 ROTYFJDJOJSCLC-UHFFFAOYSA-N 394.471 3.892 0 40 GHAB O=C(Cc1ccccc1F)Nc1ccccc1C(=O)NCCc1ccccc1 6602124 IEJROBSUTDMGAH-UHFFFAOYSA-N 376.431 3.979 0 40 GHAB C[C@]1(c2ccccc2Br)NC(=O)N(Cc2cccc(F)c2)C1=O 6640365 LYIANTWDAWCOOK-QGZVFWFLSA-N 377.213 3.555 0 40 GHAB Cc1nc2ccccc2n1CC(=O)Nc1ccccc1I 5627672 IOMGFROUXMQXJN-UHFFFAOYSA-N 391.212 3.588 0 40 GHAB COc1ccc(CNC(=O)N(C)Cc2ccccc2Br)cc1OC 8852575 JJMOSBNDQWYFRJ-UHFFFAOYSA-N 393.281 3.808 0 40 GHAB CC(C)(C)c1ccc(-c2nnc(SCc3noc(C(C)(C)C)n3)n2N)cc1 28006348 ABGGPCJUJCABRG-UHFFFAOYSA-N 386.525 3.929 0 40 GHAB O=C(CCc1cccs1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 6800795 ZSQFBJHJENAJIF-UHFFFAOYSA-N 393.515 3.577 0 40 GHAB CC(C)NC(=O)[C@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 6994779 HNLDJWMXMHAGHF-ZDUSSCGKSA-N 393.944 3.526 0 40 GHAB CCCCC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1)C2=O 19320855 NIBJBAYTJFWGEB-UHFFFAOYSA-N 377.326 3.845 0 40 GHAB O=C(CCc1ccccc1)Nc1cc(O)nc2nc(-c3ccc(Cl)cc3)nn12 9012338 TVJWHISOCYJXMW-UHFFFAOYSA-N 393.834 3.722 0 40 GHAB CCOC(=O)c1oc2ccccc2c1COC(=O)COc1ccccc1OC 7425802 LEXOXYSBRNKKAZ-UHFFFAOYSA-N 384.384 3.740 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1ccc(C)cc1Br)c1ccccc1 7975399 NHWVXKFIAHJEGL-QGZVFWFLSA-N 375.266 3.964 0 40 GHAB CCn1nc(NS(=O)(=O)c2ccc(F)cc2)c2cc3ccc(C)cc3nc21 9348847 JHQXEDNSUAOVRF-UHFFFAOYSA-N 384.436 3.853 0 40 GHAB CCCCN(C)C(=O)[C@H](C(=O)c1cccc(Cl)c1)n1cc(Cl)ccc1=O 9601551 ZLFKYQRYYFGBQK-KRWDZBQOSA-N 395.286 3.838 0 40 GHAB Cc1ccc(C(=O)Nc2cc(-c3ccc(I)cc3)[nH]n2)o1 72275201 ZKJQCHRIAAJDLA-UHFFFAOYSA-N 393.184 3.835 0 40 GHAB C[C@@H]1CCN(C(=O)COC(=O)Cc2n[nH]c3ccccc23)c2ccccc2S1 84700074 BKNSSNBRKLOUON-CQSZACIVSA-N 395.484 3.566 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)cc1C(=O)O 95454506 NUEBNBGVLLULQV-UHFFFAOYSA-N 390.244 3.815 0 40 GHAB Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccco3)C[C@H]3CCCO3)oc2c1 28251409 LCPMZTGGRGYZKZ-QGZVFWFLSA-N 381.428 3.824 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1Cc1nnc(C(C)C)o1 95999825 APTSOTFYNYXWDL-SFHVURJKSA-N 381.480 3.569 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 79020249 NGABRZLRJPAUDO-ZBFHGGJFSA-N 395.931 3.917 0 40 GHAB O=S(=O)(NCCSC1CCCCC1)c1ccc(Br)s1 409172738 HRNBLMQTVZDNLZ-UHFFFAOYSA-N 384.386 3.855 0 40 GHAB COc1cc2c(cc1OC)[C@H](NC(=O)CCc1cn(C)c3ccccc13)CC2 524730613 PBNAITVQSMYFQF-LJQANCHMSA-N 378.472 3.932 0 40 GHAB biogenic CC(=O)N1CCC(N2CCC(c3nccnc3Oc3ccc(C)cc3)CC2)CC1 72363020 XXENRPGSYOQNJY-UHFFFAOYSA-N 394.519 3.768 0 40 GHAB COc1ccc(CNc2ncnc3c2nnn3Cc2ccccc2Cl)cc1 35314885 QUVUOKFLSUQULU-UHFFFAOYSA-N 380.839 3.544 0 40 GHAB CCn1nc(C)c2nc(SCc3ccc(F)cc3)n(Cc3ccco3)c(=O)c21 64817517 CBNCISJTRSCABE-UHFFFAOYSA-N 398.463 3.994 0 40 GHAB NC1CCN(Cc2ccc(-c3nc(-c4ccccc4Cl)cc(=O)[nH]3)cc2)CC1 48175541 ZXFGIMBKMRPEOR-UHFFFAOYSA-N 394.906 3.680 0 40 GHAB COc1ccc(N(CCCC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 222597994 QWLAAKSQXXYUQR-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB CCc1ccc(N([C@H](C)C(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1 220272594 LJFBTQSUWGIAKH-CQSZACIVSA-N 392.546 3.764 0 40 GHAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1cccc(Br)c1 225749847 MUGNDXRKURYLBZ-UHFFFAOYSA-N 375.197 3.542 0 40 GHAB COc1cccc(CC(=O)NC2(c3nc(-c4cccnc4)no3)CCCCC2)c1 77197448 NPYFMHPCGURDFL-UHFFFAOYSA-N 392.459 3.659 0 40 GHAB O=C1N[C@]2(CCc3cc(Cl)ccc32)C(=O)N1Cc1cccnc1C(F)(F)F 530108025 JPBVRKQIPLEPFS-KRWDZBQOSA-N 395.768 3.647 0 40 GHAB CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(C3CCC3)C[C@H]21 514288724 BAOXXMVGHAGGDW-CTNGQTDRSA-N 384.426 3.702 0 40 GHAB biogenic,in-vitro Cc1csc(C(=O)N2[C@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)c1 96099565 HEEDGZPBSWKCPC-FKEKPDDDSA-N 375.515 3.666 0 40 GHAB O=C(O)c1c(Br)cc(C(F)(F)F)cc1I 96171742 MRMUDPGGSBEXPC-UHFFFAOYSA-N 394.912 3.771 0 40 GHAB CC1(C)CC(O)CC(C)(C)N1C[C@@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531663 LVHVVULBVCVEDK-PDPLOHQNSA-N 381.601 3.983 0 40 GHAB CO[C@H]1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@@]12CCCO2 257342949 ZQSPALMKDWGTAN-GMAHTHKFSA-N 396.487 3.687 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)Cc2ccc(F)cc2)c2ccccn2)CC1 257220996 DNDBZLNKUHOWCV-DNVFCKCGSA-N 397.494 3.563 0 40 GHAB CCC1(CNC(=O)N2CC[C@]3(CCCOC3)C2)CCN(Cc2ccccc2)CC1 671212286 CJZJSPSMSKSEFK-XMMPIXPASA-N 399.579 3.891 0 40 GHAB O=C1CCCC[C@]2(CN(CCOc3ccc(F)cc3)C[C@H]2c2ccccc2)N1 585261773 JBMZQIAYGAAWBU-JTHBVZDNSA-N 382.479 3.733 0 40 GHAB CN1Cc2cccc(-c3cnc4n3CCN(C(=O)CC3CCCCC3)CC4)c2C1 585111270 MDGNZRJSTGTRAW-UHFFFAOYSA-N 392.547 3.851 0 40 GHAB C[C@H](c1nc(C(C)(C)c2ccc(Cl)cc2)no1)S(=O)(=O)C1CCOCC1 574240626 PSASAFTXZJUDQJ-GFCCVEGCSA-N 398.912 3.704 0 40 GHAB COc1c(C)cccc1CN1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615132407 XZKDVFZPTVQVQK-QHCPKHFHSA-N 398.478 3.541 0 40 GHAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O 7078433 DQXMFYQXFCIRSY-IQGJIOQQSA-N 388.489 3.523 0 40 GHAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)on1 12118426 YXNAODVJWOUVNH-KRWDZBQOSA-N 388.471 3.878 0 40 GHAB CCN1CC[C@@H](CCc2ccc(NC(=O)CCn3nc(C)nc3C)cc2)[C@@H](C)C1 12144922 SIBGQKKQPXOVLV-LAUBAEHRSA-N 397.567 3.834 0 40 GHAB O=C(c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1)N1CCCC1 19376079 POQNSJPWSYDTEO-SFHVURJKSA-N 390.487 3.838 0 40 GHAB Cc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)nc(N2CCCCC2)n1 19660462 KSHMSERAANJESM-UHFFFAOYSA-N 380.477 3.546 0 40 GHAB C[C@@]1(C(=O)Nc2cccc(Cn3cccn3)c2)CC(c2ccccc2F)=NO1 19660921 ZPBDPFHTKGLHLA-NRFANRHFSA-N 378.407 3.592 0 40 GHAB CCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)C1 19706601 RLNPPKPVDLAJFY-SFHVURJKSA-N 396.510 3.993 0 40 GHAB CCn1ncc(-c2cc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)on2)c1C 19719087 YDNWIWAAHFWIAK-KRWDZBQOSA-N 380.448 3.899 0 40 GHAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(n2ccnn2)CC1 206937942 SYJVMVRUZDSSHP-UHFFFAOYSA-N 386.805 3.747 0 40 GHAB CSc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1 8169571 KZBAOJAEOFFXDD-VBKFSLOCSA-N 390.530 3.847 0 40 GHAB O=C(CC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2 2456743 LVVOBGKFYUUCGT-SANMLTNESA-N 375.469 3.683 0 40 GHAB CN1CCN(Cc2ccccc2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19589555 SELMXPVFPZNMFF-XMMPIXPASA-N 385.511 3.882 0 40 GHAB O=C1CCCN1c1cncc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 575620147 RBBPDTQCWLVVQR-UHFFFAOYSA-N 397.906 3.990 0 40 GHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(C(C)(C)C)ccc2OC)n1 4643485 AZICZNQOZZGNPL-UHFFFAOYSA-N 389.521 3.759 0 40 GHAB COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1O 20861345 GKZPPDNLCVAQRA-JTQLQIEISA-N 383.322 3.604 0 40 GHAB Cc1ccc(CSC2=NCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 2711642 ZGBYBBOKJCCGHA-UHFFFAOYSA-N 380.922 3.942 0 40 GHAB COc1cc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc(OC)c1OC 4479441 SBAMDYNBKJICCR-UHFFFAOYSA-N 383.404 3.632 0 40 GHAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1ccccc1 4554219 VSCXBTJNAOOZMI-INIZCTEOSA-N 393.534 3.503 0 40 GHAB CCOc1ccc(N2C[C@H](NC(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 5195950 CQXHABFYXNDYBU-CYBMUJFWSA-N 392.377 3.639 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 5250627 UMHSXYPVNNJVSP-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB COc1ccc2sc(N(Cc3ccccc3)C(=O)C3=COCCO3)nc2c1 5299701 AUEPOYGGOPOMQW-UHFFFAOYSA-N 382.441 3.726 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)cc1C 21093440 INUUTYHOHPBHMX-UHFFFAOYSA-N 395.890 3.508 0 40 GHAB O=C(NCCOc1ccccc1)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775978892 VEOIAPWDYHILEO-IBGZPJMESA-N 382.485 3.827 0 40 GHAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(C(F)(F)F)c1 23106222 QYGJVEMQFKFDCH-SFHVURJKSA-N 396.384 3.648 0 40 GHAB CC(C)(C)SC[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 575414235 DETJNDHHTXRXHQ-LBPRGKRZSA-N 385.580 3.766 0 40 GHAB CCN1CCN(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 22465855 LUUBGZUTYPIZOR-ZFDSFTMVSA-N 398.591 3.532 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1-n1cnnn1 33081943 LOCWJZSQDZOJEA-LLVKDONJSA-N 392.246 3.684 0 40 GHAB CCOc1c(Cl)cc(CNC2CCN(C(=O)c3ccoc3)CC2)cc1OC 30669028 VJMGDORGTWPUAV-UHFFFAOYSA-N 392.883 3.735 0 40 GHAB COc1cccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1 30955136 ZRENUWYDYDXYGG-UHFFFAOYSA-N 392.459 3.596 0 40 GHAB COc1cccc2cc(C(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)c(=O)oc12 1342145 RSZGXZBKXKJXRZ-SFHVURJKSA-N 393.439 3.623 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)cc1 1379188 SNSOKFFRJSADQY-UHFFFAOYSA-N 383.502 3.995 0 40 GHAB Brc1ccc(OCCSc2nnnn2-c2ccccc2)cc1 3352556 VLBDEUNKAOTNNF-UHFFFAOYSA-N 377.267 3.596 0 40 GHAB CCOC(=O)c1c(NC(=O)CSc2nncs2)sc2c1CC[C@@H](C)C2 3389610 NFIHSCHRPSESTA-SECBINFHSA-N 397.547 3.632 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 2638775 XZLQNTIKKDXXBF-FQEVSTJZSA-N 388.423 3.688 0 40 GHAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)[C@@H]1C[C@@H]1C 20864571 ADSZCYPJVUIDQZ-CMPLNLGQSA-N 391.445 3.631 0 40 GHAB CCN(CC)C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)[C@@H](COC)OC 4792380 SWYKAZJQKQLLEF-FGZHOGPDSA-N 399.531 3.734 0 40 GHAB COc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCC(C)CC2)cc1 4847679 OQZPATWJWGFKTJ-QFIPXVFZSA-N 391.519 3.746 0 40 GHAB CCOc1ccccc1C(=O)N[C@@H](C)c1nc(-c2ccc(OC)c(OC)c2)no1 4998134 BUEFYEGVDLIHRY-ZDUSSCGKSA-N 397.431 3.644 0 40 GHAB O[C@H](CNCCSc1ccc(Br)cc1)COc1ccccc1 2643674 PEFHYJRJNNHLSO-OAHLLOKOSA-N 382.323 3.571 0 40 GHAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)CC(C)C)cc1 6630428 IAQUSENYPBGCBM-UHFFFAOYSA-N 399.516 3.712 0 40 GHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)COc1cccc(F)c1 7885370 LPYJAGRVJZFIJP-UHFFFAOYSA-N 378.831 3.654 0 40 GHAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cnn2cccnc12 32754687 YAZMPEHILSZOFK-SFHVURJKSA-N 381.439 3.773 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)[nH]2)cc1 10475522 FRZAGYJYSGSYFC-UHFFFAOYSA-N 384.461 3.610 0 40 GHAB COC(=O)c1cccc(N[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 2623539 BWEFOYDTLPGRML-OAHLLOKOSA-N 393.226 3.524 0 40 GHAB CC(C)(CNC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCOCC1 32971767 YYMRWPVXGFIMMO-GQCTYLIASA-N 390.833 3.599 0 40 GHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCCc2c(C(N)=O)cccc21 52688524 XQZNJPQFYZLXIA-OAHLLOKOSA-N 391.471 3.504 0 40 GHAB C[C@@H]1CN(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](C)O1 21821842 PEQKEESESBRKII-NXEZZACHSA-N 384.320 3.772 0 40 GHAB CCn1c(S)nc2cc(C(=O)N[C@H](C)c3ccc(Cl)s3)ccc2c1=O 103125786 ULQSZDDMMMVZCU-SECBINFHSA-N 393.921 3.911 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2N(C)C1=O 12228850 BSSRZOOMJBUYSE-JTQLQIEISA-N 395.242 3.755 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1C(=O)N[C@]2(c3ccccc3)C[C@@H]1c1ccccc1O2 103627564 FTBQIMXPMGDEID-ZILOHOTNSA-N 384.435 3.790 0 40 GHAB COc1cc2cc(CCN3C(=O)c4ccccc4C3=O)c(Cl)nc2cc1OC 26422669 GTZICGUCZASSGZ-UHFFFAOYSA-N 396.830 3.744 0 40 GHAB O=C1C(=O)N(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccc(F)cc21 23883379 BYDOIRULQHAPAC-CYBMUJFWSA-N 395.459 3.802 0 40 GHAB COc1ccc2[nH]cc(C3=CCN([C@H](C)C(=O)Nc4cc(C)on4)CC3)c2c1 47257376 BJBXSLDTMRGIEH-CQSZACIVSA-N 380.448 3.589 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(OC)cc1C 29047242 ZWPYAQYBXMEKHY-HNNXBMFYSA-N 390.505 3.641 0 40 GHAB Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)n1 24831160 QLACSEUXQDWCLW-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB CCCc1ccc(-c2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)[nH]n2)cc1 8195473 GDWIIGQWYVTFPO-UHFFFAOYSA-N 398.488 3.788 0 40 GHAB Cc1cc(C)cc(OCCCN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1 12599300 NDJAJCCWKREMAW-QHCPKHFHSA-N 378.472 3.856 0 40 GHAB C[C@@H](CCc1ccco1)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 12557033 SCLCKEJIKBQMJZ-INIZCTEOSA-N 398.484 3.832 0 40 GHAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ncc(Cl)cc1Cl 3270314 DQVKTOJPOASJHD-UHFFFAOYSA-N 387.244 3.595 0 40 GHAB COC(=O)c1sccc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 10189065 LMBXNIIBCCEGQY-UHFFFAOYSA-N 385.445 3.531 0 40 GHAB OC[C@H]1CCCN(Cn2nc(-c3ccccc3)n(-c3ccc(F)cc3)c2=S)C1 3277931 ACSDSANGDJTDTB-INIZCTEOSA-N 398.507 3.871 0 40 GHAB COc1ccc(C(=O)Nc2cnc3sc4cc(Cl)ccc4n3c2=O)cc1 408606321 LNDYEANWJLOHIW-UHFFFAOYSA-N 385.832 3.824 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C(C)=O)cc2OC)cc1 12732939 UYFCKJPXIPJTLW-IBGZPJMESA-N 383.444 3.649 0 40 GHAB Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(C)c1 12738523 ZVXJGADBRWOLGV-UHFFFAOYSA-N 398.528 3.549 0 40 GHAB O=C(CCn1cc(Br)cn1)Nc1ccc(Br)cc1F 28234611 OWZWHZRKQSJBSL-UHFFFAOYSA-N 391.038 3.576 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(C)cc1 408578985 XVNIJIRWDUBHCD-UHFFFAOYSA-N 386.517 3.633 0 40 GHAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 12873830 QRLSNWIHWRANAG-CQSZACIVSA-N 387.457 3.976 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 12886677 BPXVROLCHNFTIG-OXJNMPFZSA-N 393.487 3.596 0 40 GHAB COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccccc3Cl)ccc2c1 8360878 PHBYMFTWJJRGGN-UHFFFAOYSA-N 396.874 3.890 0 40 GHAB COc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1OC 13324901 OULVMQAQKFOCIJ-UHFFFAOYSA-N 395.912 3.768 0 40 GHAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 13691531 KADCNFDFRGMSKQ-QGZVFWFLSA-N 395.890 3.990 0 40 GHAB CCc1ccccc1OCC(=O)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 6052581 ZCKUKXYHHNRJSI-LJQANCHMSA-N 392.377 3.515 0 40 GHAB C[C@H](On1nnc2ccc(Cl)cc21)C(=O)Nc1ccc(N2CCCCC2)cc1 5198542 FZCSLHKCTOWCEV-AWEZNQCLSA-N 399.882 3.531 0 40 GHAB O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCC[C@H]1c1nnc2ccccn12 14138269 GZFHSKRABOBPSI-ISBHARSQSA-N 388.880 3.520 0 40 GHAB O=C(CCNC(=O)c1ccccc1Cl)Nc1cccc(Br)c1 5558307 QBXRZZTWEAQCMW-UHFFFAOYSA-N 381.657 3.861 0 40 GHAB CCN(CC)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 5597802 CEEQUYLDAMECDS-UHFFFAOYSA-N 394.924 3.712 0 40 GHAB CC(C)[C@H](NC(=O)NCCCc1ccccc1)C(=O)NCCCc1ccccc1 8764560 SVUQOLGIPJZVIJ-QFIPXVFZSA-N 395.547 3.692 0 40 GHAB biogenic CCC(CC)c1nnc(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)s1 14680893 GELGPXRUIYRHFH-GFCCVEGCSA-N 388.493 3.584 0 40 GHAB CN(C)CC/N=c1/nc[nH]c2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 5896880 PNEDSBHRBPWMCE-UHFFFAOYSA-N 389.528 3.791 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc2)n1 18891668 QVMBBYFGXXCABQ-INIZCTEOSA-N 377.444 3.751 0 40 GHAB COc1ccc(Br)cc1CSc1nc2nc(C)cc(C)n2n1 7321076 JNODZFZLNUJYBX-UHFFFAOYSA-N 379.283 3.805 0 40 GHAB C[C@H]1CCC[C@@H](N2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 19842020 ZEMFQGKVCPZJSG-DOTOQJQBSA-N 395.341 3.551 0 40 GHAB NCc1ccccc1[C@@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 71791523 WJYGHFHYZDDVFP-QFIPXVFZSA-N 387.435 3.669 0 40 GHAB Cc1cc(C(F)(F)F)nc(N2CCCC[C@@H]2CNC(=O)c2ccccc2)n1 95469204 UMUNLSAWGKDAOB-OAHLLOKOSA-N 378.398 3.593 0 40 GHAB O=C(c1cc2ccccc2c(=O)[nH]1)N(Cc1ccccc1)CC1CCOCC1 78917056 XECKJZUIOFJHLO-UHFFFAOYSA-N 376.456 3.597 0 40 GHAB O=C(/C=C/c1cccc(Cl)c1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 79057171 GSVXASHFFXTGPR-YMPXZSTISA-N 377.893 3.766 0 40 GHAB COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1 95998965 IHFYZRONYFNLDS-MRXNPFEDSA-N 399.495 3.530 0 40 GHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2cc(Cl)ncn2)CC1 95986298 AMTBNLXLHNUBHV-UHFFFAOYSA-N 385.777 3.503 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)c2ccc(COc3ccccc3C)o2)c1 408562176 NVUDNZZLDJYPQT-UHFFFAOYSA-N 378.428 3.844 0 40 GHAB O=C(c1ccoc1)N1Cc2ccccc2[C@@H](c2nccn2Cc2cccnc2)C1 306140660 UZXAZMPDAKRLAM-NRFANRHFSA-N 384.439 3.707 0 40 GHAB CCOc1ccccc1NC(=O)CSCc1cc(=O)c2cc(F)ccc2[nH]1 33064217 WHTMNOXNFBYBNP-UHFFFAOYSA-N 386.448 3.938 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)CC2(n3cccc3)CCOCC2)c(OC)c1 524734607 UYQKJUCLCQOXFT-HXUWFJFHSA-N 398.503 3.765 0 40 GHAB Cc1n[nH]cc1C(=O)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72384008 RUYINGFKHNXVCB-KRWDZBQOSA-N 383.839 3.931 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1OC(F)F 30925724 NXNYZPJXPFYUCL-SNVBAGLBSA-N 398.793 3.707 0 40 GHAB CCNc1cc(CNC(=O)NCCc2cn(C)c3cc(Cl)ccc23)ccn1 1564567823 HMYBIPAPITWRAM-UHFFFAOYSA-N 385.899 3.700 0 40 GHAB Cn1nc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1NC(=O)c1ccco1 35683172 VJBAEUPXIAWMJC-UHFFFAOYSA-N 394.412 3.785 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccccn1)Cc1ccco1 62018114 WDGQZVDYIFEKCL-UHFFFAOYSA-N 386.473 3.691 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cn1 566897817 VLURKDBMQVDXNU-WNRNVDISSA-N 393.443 3.608 0 40 GHAB CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(F)cc3F)n2)cc1 42380993 JNGFUKGLJIZYEZ-CYBMUJFWSA-N 399.397 3.787 0 40 GHAB Cc1cc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)on1 49371951 OSWNGJQXTJQNRB-HNNXBMFYSA-N 397.866 3.949 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 224178050 NQZMMIFMJRQWQI-OAQYLSRUSA-N 382.504 3.626 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccnc2)c1C 222774466 OWTNSQSFMMJTMI-WOJBJXKFSA-N 377.517 3.877 0 40 GHAB CC[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C 224385200 LFMZJIDLRIWWTO-FQEVSTJZSA-N 386.517 3.806 0 40 GHAB Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3sc(C)nc3CC(C)C)n2)c1 574503695 BYILTFLTHWHZBC-GFCCVEGCSA-N 384.509 3.630 0 40 GHAB CN(C)C(=O)N1CCC(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)CC1 40134040 ALSNLXQTZIWIBI-UHFFFAOYSA-N 392.912 3.796 0 40 GHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccccc1C 224051314 VJFQQAOHSAODMQ-LJQANCHMSA-N 398.572 3.824 0 40 GHAB COc1ccc2cc(S(=O)(=O)N[C@H](C)COc3ccc(C)cc3)ccc2c1 223501389 ZLQULANRZAAPQH-MRXNPFEDSA-N 385.485 3.903 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSc1ccccc1 224645188 PRSFSWSEURIEFA-MRXNPFEDSA-N 388.508 3.860 0 40 GHAB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2C)cc1NC(C)=O 224638838 WKUWZFFRCYQWCO-CYBMUJFWSA-N 378.519 3.715 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 224630241 KLMPQWOKCKZNKI-HXUWFJFHSA-N 386.923 3.869 0 40 GHAB Cc1n[nH]c(-c2ccc(S(=O)(=O)N3CC(O)=Nc4ccccc43)s2)c1C 40285664 NIRZGEYGDJXVSX-UHFFFAOYSA-N 388.474 3.552 0 40 GHAB COc1ccc(CCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1OC 225855710 KUPRZYCATKBTCC-MRXNPFEDSA-N 383.488 3.709 0 40 GHAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 222905864 UXSCGNDDBQDPQG-VQTJNVASSA-N 377.517 3.896 0 40 GHAB O=C1[C@@H]2C[C@@H](CN2Cc2ccccc2)Oc2ccccc2N1Cc1ccccn1 96111847 PRYUIDHSLGROBJ-UNMCSNQZSA-N 385.467 3.650 0 40 GHAB biogenic,in-vitro O=C1CO[C@@]2(CCCN(Cc3ccccc3F)CC2)CN1CCc1ccccc1 257339929 ZDTXZLZRNUISSF-XMMPIXPASA-N 396.506 3.652 0 40 GHAB Nc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)CCCc3ccc(F)cc3)C2)ccn1 257219977 DJAVTGQWZXROHT-KRWDZBQOSA-N 393.466 3.532 0 40 GHAB COc1ccc(-c2ccnc3nc(CCC4CCCC4)nn23)c(OC)c1OC 604419492 GDGRXGOCOZFNPD-UHFFFAOYSA-N 382.464 3.940 0 40 GHAB CC[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)Oc1ccc(Cl)c(Cl)c1 606445742 KVNCLAJTAPJHDC-LBPRGKRZSA-N 398.290 3.650 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 57291871 RQXMZFKMCMLDBS-QAPCUYQASA-N 383.458 3.522 0 40 GHAB Cc1cc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)n(-c2ccc(Cl)cc2)n1 68121174 JMPDFKQNGGSZJT-INIZCTEOSA-N 380.835 3.899 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2cnc3[nH]nc(C)c3c2)c1 89568214 USHOJUVFMPPBND-QGZVFWFLSA-N 381.436 3.653 0 40 GHAB CC[C@@H](C)NC(=O)COC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 5919689 UVMCOCZYWCCHMM-OAHLLOKOSA-N 397.500 3.731 0 40 GHAB Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)C(C)C)CC2)on1 12119425 ORTZPLBQIMPCGO-UHFFFAOYSA-N 397.523 3.792 0 40 GHAB O=C(Nc1cccc(F)c1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 12759751 UHECBCYLDDBOAF-AQTBWJFISA-N 375.363 3.709 0 40 GHAB C[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 16109085 FTTLEMMCJGEHNL-CYBMUJFWSA-N 397.949 3.854 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)cn1 19239855 HZOKQOMYWAHUEO-LJQANCHMSA-N 389.459 3.536 0 40 GHAB CCc1cc(C(=O)N2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)no1 19522629 LMQHEFPURXYTIF-VCTAVGKDSA-N 397.401 3.718 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)c1cccc(F)c1 19570977 YNJSXCIORVLNDN-LJQANCHMSA-N 379.435 3.887 0 40 GHAB COc1cc(NC(=O)[C@@H](c2ccc(F)cc2)N(C)C)ccc1-n1nc(C)cc1C 19655360 VGFHIOPHIOLCDL-OAQYLSRUSA-N 396.466 3.878 0 40 GHAB CNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cnc(C)s2)CCO1 19697560 VRIQGCBHWJJHJT-OAHLLOKOSA-N 387.530 3.599 0 40 GHAB CCc1nnc2n1C[C@H](c1ccc(NC(=O)c3cccc(OC)c3)cc1)CC2 19698992 LFFWHVGCVROBOS-QGZVFWFLSA-N 376.460 3.831 0 40 GHAB O=C(CCCOc1cccc(F)c1)Nc1ccc([C@@H]2CCc3nncn3C2)cc1 19699156 QPLMKPSLUPXBSM-QGZVFWFLSA-N 394.450 3.945 0 40 GHAB CCOc1ccc2c(c1)c(CN1CC[C@@]3(C)NC(=O)CCCC[C@@H]13)c(C)n2C 19713392 TWVMACXGQAPCND-FYYLOGMGSA-N 383.536 3.909 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)/C(=C\c1ccco1)NC(=O)c1ccccc1 2768723 FXMNJLJFOROMGL-PXLXIMEGSA-N 399.450 3.891 0 40 GHAB CO[C@H](C(=O)Nc1ccc2c(Cl)ccc(Br)c2n1)[C@@H]1CCOC1 622094278 HOOOJOQDNGFQEY-PSLIRLAXSA-N 399.672 3.641 0 40 GHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)CC4CCCCC4)nn3cn2)cc1 19575522 PYQUFASHPJHHSE-OAHLLOKOSA-N 393.491 3.948 0 40 GHAB CC[C@@H](C(=O)N1CCC(n2nc(C(C)(C)C)ccc2=O)CC1)c1ccccc1 1775995093 BEZIODZCOJVQQH-LJQANCHMSA-N 381.520 3.898 0 40 GHAB CC1(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)CCCCC1 2037840621 OUTHOUCKWVDWPM-UHFFFAOYSA-N 388.483 3.521 0 40 GHAB CCOC(=O)CCC(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4162429 USLGSDWCKVHQLM-UHFFFAOYSA-N 380.400 3.967 0 40 GHAB O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)Nc1nccs1 8865257 OWJJSMBJTCSARL-UHFFFAOYSA-N 397.481 3.569 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 10812175 DNOVSRXLJQQAAO-AWEZNQCLSA-N 398.937 3.892 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1cc(-c2ccc(C)cc2)on1 12422165 NJEKKHCETPEHBS-UHFFFAOYSA-N 379.416 3.798 0 40 GHAB CCN1CCN(c2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccccc23)CC1 20381936 BVUVMEZXBKVGIO-UHFFFAOYSA-N 395.528 3.518 0 40 GHAB O=C(COc1ccc(F)cc1)NCc1ccc(C(=O)c2ccsc2)s1 211083859 QGVVYJOVLBBQAW-UHFFFAOYSA-N 375.446 3.875 0 40 GHAB Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 49006884 FGEFAPXWGCESMR-UHFFFAOYSA-N 377.400 3.507 0 40 GHAB O=S(=O)(NCc1ccc(-c2ccoc2)o1)c1ccccc1Br 575610891 QXAJBLWDRZEYDT-UHFFFAOYSA-N 382.235 3.781 0 40 GHAB CCc1cc(=O)oc2cc(OC(=O)[C@H](C)NC(=O)OCc3ccccc3)ccc12 2095479 GTRMBSWMXVGUJH-AWEZNQCLSA-N 395.411 3.576 0 40 GHAB biogenic CSc1cccc(NC(=O)C(=O)NCC[C@@H](O)c2cccc3ccccc23)c1 77118567 JVYNNNDBGQKWGO-HXUWFJFHSA-N 394.496 3.740 0 40 GHAB O=C(NCc1ccc(Cn2cncn2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 40024665 VDTMIFSSEGBKSM-UHFFFAOYSA-N 385.471 3.617 0 40 GHAB O=S(=O)(N1CCCCCC1)N1CCc2sccc2[C@@H]1c1ccccc1 40039936 POJSNBHTYUGOIE-IBGZPJMESA-N 376.547 3.816 0 40 GHAB Cc1ccc(CN(C)C(=O)NCc2ccccc2CN2CCCC2=O)c(C)c1 40069071 HGLQHIMDNWVCIN-UHFFFAOYSA-N 379.504 3.767 0 40 GHAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCN(c2ccccc2O)CC1 40104654 BCIJHHHSFRSNNR-UHFFFAOYSA-N 381.354 3.645 0 40 GHAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@H](c1ccccc1Cl)N(C)C 29051049 JPRVAQFGHIJYMS-FOIQADDNSA-N 397.906 3.574 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CNc3ccc(C)c(C(F)(F)F)c3)ccc21 11705311 JWPDHCREQDBMPK-UHFFFAOYSA-N 391.393 3.973 0 40 GHAB CCc1ccc(-n2c(SCC(=O)N(CC)CC)nnc2-c2ccccn2)cc1 1362532 FLCSMDVGOZGGST-UHFFFAOYSA-N 395.532 3.852 0 40 GHAB O=C1Cc2ccccc2N[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 1612035 SEEMHXPJVDRSJN-YADHBBJMSA-N 377.465 3.808 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(-n3nc(C)cc3C)cc1)OCO2 4164144 KHYGWAXPYLOLPS-UHFFFAOYSA-N 377.400 3.673 0 40 GHAB CCn1c(SCC(=O)NC(=O)Nc2ccccc2F)nnc1-c1ccccc1 4463486 UBFDBJYKIKNWFL-UHFFFAOYSA-N 399.451 3.545 0 40 GHAB COc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)c(OC)c1 4909305 ZQBLWFFZMCNIIZ-IBGZPJMESA-N 383.835 3.922 0 40 GHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(SC)c2)cc1 6880341 LCOPOYDXROJUCP-UHFFFAOYSA-N 392.546 3.668 0 40 GHAB COc1cc(CNC(=O)COc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 7897129 AJEXFKCBGJBYPS-UHFFFAOYSA-N 387.476 3.705 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)Oc3cccc4cccnc34)CC2=O)cc1 7929198 JRSXICMMJABUOT-INIZCTEOSA-N 376.412 3.592 0 40 GHAB O=C(COc1ccc2ccc(=O)oc2c1)NCCc1ccc(Cl)cc1Cl 2665244 PXWKPSZRSDLCKD-UHFFFAOYSA-N 392.238 3.838 0 40 GHAB CCc1cccc(NC(=O)N2CC[C@]3(CC[C@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)c1 107271737 SYELLFLEQLRAFK-LERMDLETSA-N 399.535 3.567 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NC(C)(C)C)cc1)c1ccccc1 8267336 CFOCKUMMPPTUTJ-MRXNPFEDSA-N 388.533 3.573 0 40 GHAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 8335588 FPAZFUUAEDFWNR-UHFFFAOYSA-N 398.528 3.648 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(C)o2)ccc1Cl 7779011 RMQOADHRGNCXPE-UHFFFAOYSA-N 398.912 3.544 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810912 GEZDRLKZKSJNHY-LBPRGKRZSA-N 382.432 3.684 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCO3)c(C)n1Cc1cccs1 2657521 YHSJFVFFCXRWQL-UHFFFAOYSA-N 397.452 3.983 0 40 GHAB aggregator COC(=O)c1sc(NC(=O)Nc2ccccc2Cl)c(C(=O)OC)c1C 2641693 DLVQPMBDAIRSEX-UHFFFAOYSA-N 382.825 3.927 0 40 GHAB Brc1ccc(OCCN2CCC[C@@H]2c2nnc3ccccn23)cc1 32797405 MHABKUZKWBWWSU-MRXNPFEDSA-N 387.281 3.708 0 40 GHAB Cn1nccc1CN1[C@@H]2CC[C@@H]1c1cnc3cc(-c4cccc(F)c4)nn3c1C2 100724222 PUDZGMOPNMKSAQ-OXQOHEQNSA-N 388.450 3.531 0 40 GHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3sccc3C)C2=O)cc1 9235873 AQIIQJLUTDYOKJ-DHDCSXOGSA-N 388.470 3.740 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccccc2)cc1 656005 AXHZRQQTZUJKIF-UHFFFAOYSA-N 386.517 3.593 0 40 GHAB CCCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccncc4)o3)CC2)no1 100155801 CGDQOWXDVHFMFV-GASCZTMLSA-N 395.463 3.776 0 40 GHAB COC(=O)c1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1 12396372 VWALPPMEWNWOFT-UHFFFAOYSA-N 386.498 3.939 0 40 GHAB Cc1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccccc4)cc3C2=O)c1 797326 HBGNYCDULUGDDF-UHFFFAOYSA-N 399.402 3.835 0 40 GHAB CC(C)OCCCNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 22698770 DLGQAGCWWXQVFN-UHFFFAOYSA-N 388.468 3.680 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(Cl)cc3)sc2c1 814044 KGGNCCVWBIJFST-UHFFFAOYSA-N 375.837 3.926 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1Br 857270 XMOPYKIFDLRACX-XVNBXDOJSA-N 376.206 3.838 0 40 GHAB O=C1[C@H]2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc2ccccc2c1 101359523 YYKYUBGEQZFUNX-HKUYNNGSSA-N 376.799 3.786 0 40 GHAB COc1ccc(CCC(=O)O[C@@H](Cn2cncn2)c2ccc(Cl)cc2)cc1 54214577 IXGFTPCLGYQKEM-IBGZPJMESA-N 385.851 3.857 0 40 GHAB COc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)N3CCCCC3)cc2)cc1 12553114 RCMOIUOGZFYWSC-MRXNPFEDSA-N 381.476 3.760 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Br 12525910 CVZHWCRDACBXMO-UHFFFAOYSA-N 398.278 3.720 0 40 GHAB C[C@H](NC(=O)NCC12CC3CC(CC(C3)C1)C2)c1ccc(S(C)(=O)=O)cc1 12567722 VCGOWYPEQADUQN-HILYYZTDSA-N 390.549 3.667 0 40 GHAB C[C@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)C1 10544056 NVIOCQOGJZGUAS-BETUJISGSA-N 379.353 3.640 0 40 GHAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1cccc(C(F)(F)F)c1 3237612 XSJFVEOTZIVYDN-UHFFFAOYSA-N 391.301 3.607 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 9052301 VYVKKQBVEKTBJZ-KRWDZBQOSA-N 380.488 3.733 0 40 GHAB O=C(O)/C(=C/c1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCC2)s1 3370098 RECPHKWEEKRATO-NTCAYCPXSA-N 395.477 3.687 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cnn(C[C@@H]2CCCO2)c1 58358137 VTFMFKWRUPMCHY-SFHVURJKSA-N 391.537 3.777 0 40 GHAB CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C)c3ncccc23)c1 36390610 FPAAOHSSQYXRGJ-UHFFFAOYSA-N 383.473 3.947 0 40 GHAB CCCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 2408184 GZCZBXILJKPTSN-UHFFFAOYSA-N 376.416 3.731 0 40 GHAB COc1ccc(-c2cc(C(=O)N3CCC[C@H](C)C3)c3c(C)nn(C)c3n2)cc1 36615952 MJSMJPJXCWQUBU-AWEZNQCLSA-N 378.476 3.824 0 40 GHAB O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(Br)s1 36612213 BJVCLCZMAOBDQQ-UHFFFAOYSA-N 385.308 3.513 0 40 GHAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H](CO)CC(C)C)cccc2c1=O 12894021 YTJVCSOFWNGEKE-KRWDZBQOSA-N 379.456 3.905 0 40 GHAB biogenic Cc1ccccc1C(=O)N1CCC(C(=O)Nc2nc3c(s2)CCCC3)CC1 12890606 YKLHKDNRFSWHRP-UHFFFAOYSA-N 383.517 3.821 0 40 GHAB COc1cc(OC)c(NC(=O)CN2CCc3sccc3[C@@H]2C)cc1Cl 12853850 WYOMBLIOPVIHLZ-NSHDSACASA-N 380.897 3.977 0 40 GHAB Nn1c(Cc2ccccc2F)nnc1SCCCC(=O)c1ccc(F)cc1 3445191 CNJDPJCPBWFICS-UHFFFAOYSA-N 388.443 3.616 0 40 GHAB COCCn1c(C)cc(C(=O)CSc2nc(-c3cccs3)n[nH]2)c1C 3450107 KENBGOSIVGZKOA-UHFFFAOYSA-N 376.507 3.573 0 40 GHAB Cc1csc(NC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)n1 12974697 OGZKJYMZQAAWDD-UHFFFAOYSA-N 387.486 3.529 0 40 GHAB C[C@]12C(=O)N(C3CCCCCCC3)CC(=O)N1CCc1c2[nH]c2ccccc12 4073817 CZOLEAPUEIMYFF-QHCPKHFHSA-N 379.504 3.723 0 40 GHAB biogenic CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)c(C)cc3C)C2=O)cc1 8394676 DZDGEVOFTLQRRD-QHCPKHFHSA-N 394.471 3.660 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NC[C@@H](c1ccccc1)N(C)C 8342355 ONQKLRLVYIZJDT-QHCPKHFHSA-N 390.531 3.841 0 40 GHAB CCOCCCn1c(SCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 5021578 DGYOWZZYFXAGDN-UHFFFAOYSA-N 398.484 3.844 0 40 GHAB COc1c(Br)cc(/C=C2/SC(=O)NC2=O)cc1Br 5201146 QXEKLTNOLUIGMQ-XBXARRHUSA-N 393.056 3.544 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CCc1ccccc1 6375619 GYARNZSUMYSHRR-UHFFFAOYSA-N 377.444 3.604 0 40 GHAB COc1ccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1OC 6431614 OVUCGABONNWPBY-UHFFFAOYSA-N 397.258 3.721 0 40 GHAB Cc1cccc(C(=O)NCc2nnc(SCc3ccc(Cl)cc3)n2C)c1 4777265 JRMXJAWQELHWBV-UHFFFAOYSA-N 386.908 3.999 0 40 GHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(Cl)cc2)cc1 4724041 ZOXKFCOPVSREIE-GOSISDBHSA-N 395.850 3.868 0 40 GHAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)C1=O 409239023 YRRIDCTUMQDNCJ-MHWRWJLKSA-N 386.835 3.840 0 40 GHAB CNC(=O)c1ccccc1NC(=O)c1cc(Cl)c(OC(C)C)c(OC)c1 19209337 WSNUEGOVOZLMCT-UHFFFAOYSA-N 376.840 3.748 0 40 GHAB COC(=O)c1sc(N)c(C(=O)OC)c1CSc1ccc2ccccc2n1 5626845 RTNVETJKUNUZJI-UHFFFAOYSA-N 388.470 3.744 0 40 GHAB CC[C@@H](Sc1nnc(-c2ccccc2OC)n1C)C(=O)NCc1ccccc1 8729220 UYHYYCZJJJVLIU-GOSISDBHSA-N 396.516 3.678 0 40 GHAB NC(=O)C1CCN(C(=S)c2cn(Cc3cccc(F)c3)c3ccccc23)CC1 7098804 ZXILXBWUHRSMDE-UHFFFAOYSA-N 395.503 3.702 0 40 GHAB COc1ccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c(OC)c1 15583750 JDUHNYJRRSDXJO-UHFFFAOYSA-N 396.237 3.736 0 40 GHAB Cc1ccc2nc(COC(=O)C3c4ccccc4Oc4ccccc43)cc(=O)n2c1 7416145 ATFVSERQLSCVMZ-UHFFFAOYSA-N 398.418 3.984 0 40 GHAB CCOc1cccc2cc([C@@H](C)NC(=O)CNC(=O)c3ccc(F)cc3)oc12 9499200 VCLOPULNPAYNDC-CYBMUJFWSA-N 384.407 3.578 0 40 GHAB O[C@@H](CN1CCC(CN2CCCCCC2)CC1)c1ccc(OC(F)F)cc1 71821745 MTZSIZRFIRWRFF-FQEVSTJZSA-N 382.495 3.909 0 40 GHAB CCOc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)ccc1Br 19909572 JOCMNLXJAZUTEA-SMDDNHRTSA-N 376.316 3.705 0 40 GHAB COc1ccc(N2CCCC2=O)c(NC(=O)Cc2c(F)cccc2Cl)c1 79483963 KUKXJOVZCNOSNV-UHFFFAOYSA-N 376.815 3.796 0 40 GHAB CCCS(=O)(=O)Nc1ccc(C(=O)Nc2nc(-c3ccco3)cs2)cc1 95947025 DBJDGLGZGGGVSL-UHFFFAOYSA-N 391.474 3.807 0 40 GHAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)n1 409304867 SLGQWVJDTFVWER-LICLKQGHSA-N 381.457 3.682 0 40 GHAB CCc1cccc(C)c1NC(=O)Cn1c(-c2ccc(OC)cc2)nc(C)cc1=O 67198584 ZOJCGPIXXXYCGG-UHFFFAOYSA-N 391.471 3.737 0 40 GHAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)NCCC1=CCCCC1 1548348891 VGLWBPMLWWMPIJ-UHFFFAOYSA-N 382.504 3.588 0 40 GHAB CCOC(=O)COc1ccc([C@@H](C)NC(=O)c2ccccc2Cl)cc1OC 32916084 ANQZLMNDZDPXDY-CYBMUJFWSA-N 391.851 3.782 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(/C=C/C(=O)Nc2nc(C(C)C)cs2)cc1 31747764 KDCQGBQOWQMDNW-JXMROGBWSA-N 393.534 3.605 0 40 GHAB CCNS(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc23)ccc1OCC 408698279 OOXRYTCIILKYLS-UHFFFAOYSA-N 398.484 3.789 0 40 GHAB COc1ccc2c(ccn2CCC(=O)N[C@@H]2CCc3cc(OC)c(OC)cc32)c1 524735230 IRJAGBWQMFHCPS-LJQANCHMSA-N 394.471 3.861 0 40 GHAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)ccc1C 408606870 PDHBJHGSFDAAMJ-UHFFFAOYSA-N 387.288 3.852 0 40 GHAB CCOC(=O)c1c(NC(=O)CSCCO)sc2c1CC[C@@H](C(C)(C)C)C2 408599060 DFWVDEOUCPZTPN-GFCCVEGCSA-N 399.578 3.740 0 40 GHAB O=C(c1ccncc1)N1CCC(c2cncc(Oc3cccc(F)c3)n2)CC1 72362132 BFJOHKHJXGJIBB-UHFFFAOYSA-N 378.407 3.823 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 219598012 BFSNDEDSEBNJOU-WOJBJXKFSA-N 389.517 3.823 0 40 GHAB CCCCOc1ccc(NC(=O)NCC2CCN(c3cnccn3)CC2)cc1 70930775 NNDXLDKRRQUNSF-UHFFFAOYSA-N 383.496 3.694 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)c1ccccc1 217429083 QJYZNUCMVCFUMF-KBPBESRZSA-N 376.478 3.635 0 40 GHAB CCCOc1ccc(C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1 218983427 KPFFPGTWXNYHCF-UHFFFAOYSA-N 381.432 3.806 0 40 GHAB COc1cccc(O[C@@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 44875286 DRICEOXNDJZILP-SFHVURJKSA-N 382.504 3.765 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223086446 VMLCGNLVNAOLBH-SFHVURJKSA-N 396.531 3.878 0 40 GHAB CCN1CCN(c2ccc(N)cc2NC(=O)/C=C/c2ccc(Cl)cc2)CC1 226260049 VPWHRWMJMJUWHY-BJMVGYQFSA-N 384.911 3.716 0 40 GHAB CSc1ccccc1NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220134242 GKBBRRYFFVGJLL-CQSZACIVSA-N 378.519 3.510 0 40 GHAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1C 224561172 HMRIEVUCJQEOGB-VQTJNVASSA-N 378.501 3.914 0 40 GHAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)NCc1ccco1 224875153 LXSHQONGWZAAEX-UHFFFAOYSA-N 375.222 3.946 0 40 GHAB Cc1c(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)nnn1-c1ccccc1 532245616 KOONSTXQCFRUDJ-LJQANCHMSA-N 394.450 3.676 0 40 GHAB Cn1cc(-c2cnc(-c3cccc(F)c3)nc2)cc1C(=O)NCc1ccncc1 96147650 DKXLORBBMCXHFD-UHFFFAOYSA-N 387.418 3.613 0 40 GHAB CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccccc1F 95482468 JAOLFSYNUHKAQT-UHFFFAOYSA-N 377.466 3.829 0 40 GHAB Cc1ccc(Cc2cc(C)nc([C@H]3CN(Cc4cn(C)nc4C)CCO3)c2)cc1 257236143 HAYSFZZANUAPDB-XMMPIXPASA-N 390.531 3.905 0 40 GHAB COc1cccc(-c2cc(C(=O)Nc3ccc(C(C)(C)C(=O)O)cc3)on2)c1 1599638810 GMCIYYZHGLNKDU-UHFFFAOYSA-N 380.400 3.965 0 40 GHAB CO[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(c4ccccc4)[C@H](C2)C3(F)F)C12CCC2 1616044085 OMSRADOFUHZGIW-MIALQEHNSA-N 376.447 3.562 0 40 GHAB O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)N1CCC[C@H]([C@H]2CCCCO2)C1 664381378 UZLBWGPAJQRKRT-FRQCXROJSA-N 393.478 3.534 0 40 GHAB O=C(C[C@]12CCCC[C@@H]1C2(F)F)Nc1ccccc1-n1ncc2c(O)ncnc21 668100702 VIRDOWMYOCPIOX-HNAYVOBHSA-N 399.401 3.675 0 40 GHAB O=C(c1cc(Br)ccc1Cl)N1CCC(Oc2cnccn2)CC1 90607668 FGUCOSHSEJMDHX-UHFFFAOYSA-N 396.672 3.576 0 40 GHAB C[C@@]1(Cc2cccc3ccccc23)CCCN1C(=O)c1ccnc2c1CC(=O)N2 620585258 PIKAKALBRYEFBV-DEOSSOPVSA-N 385.467 3.967 0 40 GHAB COCc1noc([C@H](C)N2CCC3(CCN(Cc4ccccc4)CC3)CC2)n1 639727646 WEMRETQWBHFOBH-SFHVURJKSA-N 384.524 3.655 0 40 GHAB CC(=O)N1CC(OCc2nc(-c3ccccc3Nc3ccccc3C)no2)C1 643958419 FPTSESCOAGRBRN-UHFFFAOYSA-N 378.432 3.536 0 40 GHAB CCC(CC)C(=O)N1CCC(COc2ccc(Cl)c(C)c2)(CC(N)=O)CC1 585268752 DWXMMDXQXDZHRF-UHFFFAOYSA-N 394.943 3.948 0 40 GHAB COc1ccc(CC(=O)Nc2ccccc2I)cc1F 14180166 GMVHVYXWGKLGIB-UHFFFAOYSA-N 385.176 3.620 0 40 GHAB Cc1cc(NC(=O)N(C[C@@H](O)COc2cccc3ccccc23)C(C)C)no1 57880302 BGXOIDROHHZENJ-QGZVFWFLSA-N 383.448 3.818 0 40 GHAB COc1ccc(-n2ncc3c2CCCN(C(=O)Cc2ccccc2F)C3)cc1 72342834 WDQPODWSUSYHDN-UHFFFAOYSA-N 379.435 3.538 0 40 GHAB CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 77197849 YALXMAQIDIWTOM-LLVKDONJSA-N 384.358 3.899 0 40 GHAB C[C@@H](c1ccccc1)n1cc(Nc2ncc(I)cn2)cn1 1612519608 RTYJIDCFNRFTGW-NSHDSACASA-N 391.216 3.631 0 40 GHAB COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3cccnc3)C[C@@H]21 5297692 QOAXLBFJIDGZTP-FQEVSTJZSA-N 392.503 3.834 0 40 GHAB C[C@@]1(C(=O)C2=NNC[C@@H]2c2ccc(Br)cc2)O[C@H]1c1ccccc1 5478230 JYTSIWCJAPORSQ-MNEFBYGVSA-N 385.261 3.591 0 40 GHAB CCC[C@H]1[C@@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@H]2ON1c1ccccc1 13138460 DYGSNVAEYHBMBN-IHPCNDPISA-N 380.444 3.564 0 40 GHAB O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)S1 13426680 PPGWVCJAWPEZQZ-NVNXTCNLSA-N 389.816 3.941 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1F)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714389 QIGLJFXLSWQOPV-MRXNPFEDSA-N 384.860 3.662 0 40 GHAB Cc1ccccc1-n1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 15880887 JUSFOQVPCCCFNB-UHFFFAOYSA-N 388.450 3.590 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN2C(=O)Cc2ccccc2F)on1 19122400 DRKIMHYZRQYINK-GOSISDBHSA-N 380.423 3.794 0 40 GHAB Cc1ccc([C@@H]2CCCN2C(=O)C[C@@H]2NC(=O)N(C3CCCCC3)C2=O)cc1C 19213705 WBKVUWSUUFEYFX-PMACEKPBSA-N 397.519 3.610 0 40 GHAB CN(C)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)nc(-c2cccnc2)n1 19584352 HFSJDACNSZQSJH-LJQANCHMSA-N 393.535 3.891 0 40 GHAB COc1ccc(-c2ccccc2NC(=O)c2ccc(Cn3cnnn3)cc2)cc1 19665795 MMKLQDWSXFFRDZ-UHFFFAOYSA-N 385.427 3.649 0 40 GHAB CC(C)c1ccc(C[C@@H](C)CN2CCC(Cc3nn(C)cc3C(N)=O)CC2)cc1 19756506 BQGUCVKYLIYRQN-GOSISDBHSA-N 396.579 3.776 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)cc1 19910833 IGSXRWYOGXOICO-UHFFFAOYSA-N 384.823 3.738 0 40 GHAB CC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCCN2c2ncnc3sccc23)c1 102989156 QJSOLHXRSMMIQX-QGZVFWFLSA-N 395.488 3.566 0 40 GHAB Cc1c(CO)c2ccccc2n1C(=O)c1ccc(I)cc1 226366693 SAULEPRIQFTWMC-UHFFFAOYSA-N 391.208 3.735 0 40 GHAB COc1ccc(CN2CCC(O)(Cn3ccc4ncccc43)CC2)c(C)c1C 12222734 OAMUMZDBUTYNIB-UHFFFAOYSA-N 379.504 3.689 0 40 GHAB COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)c1OC 5099255 CXLUGBSYYOWWSN-UHFFFAOYSA-N 380.444 3.645 0 40 GHAB CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(F)c3)ccc21 8840847 IZCXGPZWNANVNO-UHFFFAOYSA-N 376.453 3.562 0 40 GHAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(F)cccc3s2)nn1C 9002400 SKRWCYBZXHNDEP-UHFFFAOYSA-N 381.436 3.719 0 40 GHAB CCC(=O)Oc1cccc2cc(-c3nc(-c4ccccc4F)no3)c(=O)oc12 9431180 XYEHATUANQWXMY-UHFFFAOYSA-N 380.331 3.965 0 40 GHAB O=C(NCCOc1ccccc1)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775978893 VEOIAPWDYHILEO-LJQANCHMSA-N 382.485 3.827 0 40 GHAB Cc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1C 23127714 UQYBGIGGYZGBGS-UHFFFAOYSA-N 378.563 3.555 0 40 GHAB CC(=O)Nc1ccc(C(=O)N2CCC(Oc3nc4ccccc4s3)CC2)cc1 49430717 LCPQSOTWWRDTHU-UHFFFAOYSA-N 395.484 3.938 0 40 GHAB Cc1cnc(OC2CCN(Cc3ccc(F)c(Br)c3)CC2)nc1 653798794 CBCQFVOQESSFQH-UHFFFAOYSA-N 380.261 3.730 0 40 GHAB Cc1ccc(C)c(CS(=O)(=O)CCCc2nc(-c3cccs3)no2)c1 40069977 OZTLHSRWTOYCIB-UHFFFAOYSA-N 376.503 3.963 0 40 GHAB O[C@H](c1ccc(I)cc1Br)C(F)(F)F 1857793201 HBAJRIFTEKROOV-SSDOTTSWSA-N 380.929 3.649 0 40 GHAB CN1CCc2c(sc3ncn4nc(COc5ccccc5Cl)nc4c23)C1 20566877 UJCWOBZPHURRNN-UHFFFAOYSA-N 385.880 3.559 0 40 GHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1coc(-c2cccs2)n1 8133697 KQUQTUQFFNBTQN-HXUWFJFHSA-N 379.441 3.687 0 40 GHAB C[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(-n2ccnc2)cc1 8163498 QUMZXPJQOJKCFD-AWEZNQCLSA-N 393.472 3.794 0 40 GHAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)o1 929504 FXXFTBFKMSSPNZ-AWEZNQCLSA-N 391.493 3.637 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(OC)c4)no3)C2)cc1 1362507 VTSIQSCQFZOGQC-KRWDZBQOSA-N 393.443 3.774 0 40 GHAB OCCOc1ccc(CN[C@@H]2CCCc3ccccc32)c(Br)c1 29656404 AESPREAYGSLOFG-LJQANCHMSA-N 376.294 3.987 0 40 GHAB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1 6326708 ZZNOEHVWYFUTOS-UHFFFAOYSA-N 394.924 3.846 0 40 GHAB C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 6370984 FUXREVHFGGDCRH-SNVBAGLBSA-N 377.322 3.766 0 40 GHAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)c2ccccc2)C1=O 6482103 YEFCTVDQVPSXSM-XMMPIXPASA-N 399.450 3.819 0 40 GHAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O 6654527 KETIXJYZFBDARO-GDNBJRDFSA-N 396.896 3.731 0 40 GHAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 32894265 VAXMELGGJLJIGV-SFHVURJKSA-N 389.448 3.739 0 40 GHAB CCCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10326235 QEHKCRVFKSWART-MRXNPFEDSA-N 386.517 3.747 0 40 GHAB COCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2cccc(Cl)c2C)n1 8476672 RFTJJXIVPSMNDA-UHFFFAOYSA-N 384.867 3.581 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc4ncsc4c3)n2)o1 12051888 XMDBNELUKKPONY-UHFFFAOYSA-N 398.469 3.901 0 40 GHAB CN(C)[C@@H](CNC[C@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 22038815 JTOVVEPINSSAND-ZCYQVOJMSA-N 390.527 3.986 0 40 GHAB COC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc2c1CC[C@H](C)C2 671073 ICYLYWQHTRKZIC-LBPRGKRZSA-N 379.503 3.769 0 40 GHAB C[C@H](NC(=O)CSc1nnc(NCc2ccco2)s1)[C@@H]1C[C@H]2CC[C@H]1C2 104106062 HNCHGABBPUPJPL-ABHRYQDASA-N 392.550 3.776 0 40 GHAB O=C(N[C@H](c1ccccc1)c1ccccn1)C1CCN(CC(F)(F)F)CC1 47247938 SRXNHQMGCVTXIJ-GOSISDBHSA-N 377.410 3.562 0 40 GHAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c(C)c1 24748040 VIZREKQWYZGPIX-OAHLLOKOSA-N 394.427 3.834 0 40 GHAB COc1cc(CNCCN(C)C)cc(Br)c1OCc1ccccc1 22075132 DBKVMQQDFVJSSM-UHFFFAOYSA-N 393.325 3.688 0 40 GHAB C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccncc2)CC1 100738966 UFYAFKDMWKPDSR-ZAWLATJESA-N 393.535 3.651 0 40 GHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(Cl)c1O 12556283 XYFWAKQHGMSDFA-DJJJIMSYSA-N 388.851 3.800 0 40 GHAB Cc1cccn2c(=O)cc(CN[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)nc12 10032251 NCVCIQMKJAJCKU-JOCHJYFZSA-N 393.487 3.651 0 40 GHAB COC(=O)COc1cccc(NC(=O)Cc2ccc(-c3csc(C)n3)cc2)c1 24952848 CTMRMGIMFFZIES-UHFFFAOYSA-N 396.468 3.852 0 40 GHAB CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc(Cn3cncn3)cc2)c1C 21921312 UDVOGLRCTUUFCV-UHFFFAOYSA-N 377.444 3.811 0 40 GHAB Cn1ccnc1[C@H](NC(=O)CCn1ccc2ccccc21)c1ccc(F)cc1 10656747 YDUVGHJTCTXWNA-OAQYLSRUSA-N 376.435 3.810 0 40 GHAB Cc1cc(C)c2c(NC(=O)c3ccccc3)c(C(=O)N3CCOCC3)sc2n1 12632440 KMNMHYRBWYHKMT-UHFFFAOYSA-N 395.484 3.638 0 40 GHAB O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCc2sccc2C1 10924552 GIGSXTMYQNQEIL-UHFFFAOYSA-N 394.496 3.875 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)c(C)c1 12797257 JMKUYKHKMDIKMR-UHFFFAOYSA-N 393.531 3.579 0 40 GHAB Cc1nc2ccc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)cc2nc1C 48333855 DAYLANPTZGYKPQ-QFIPXVFZSA-N 375.472 3.832 0 40 GHAB Cc1ccc2c(C)c(CCC(=O)NCCc3nc4ccccc4[nH]3)c(=O)oc2c1 12823065 VKQTZDQKWYVBSF-UHFFFAOYSA-N 389.455 3.578 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C(=O)NC3CC3)c3ccccc3)cc2)n1 17653244 INPFNPOKYYDULP-OAQYLSRUSA-N 389.455 3.666 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1cnc2c(cnn2C(C)C)c1)c1ccc(Cl)cc1 13005676 DNOGAZPPCBOAPA-SFHVURJKSA-N 399.882 3.872 0 40 GHAB COCCCn1c(-c2ccc3c(c2)NC(=O)CO3)cs/c1=N\c1ccccc1 13102007 QRXHRIVCYIRODB-DQRAZIAOSA-N 395.484 3.816 0 40 GHAB Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Cl)n2N)c1 8647125 HBAAGQQZOUBHKR-LBPRGKRZSA-N 387.896 3.740 0 40 GHAB CC[C@@H]1c2ccsc2CCN1C(=O)CCNC(=O)c1ccc(F)cc1F 39996893 JKEHIIDZZLYTAG-MRXNPFEDSA-N 378.444 3.682 0 40 GHAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)NCCc1ccc(Cl)cc1 5264446 TXXKZZLXOOWCAE-UHFFFAOYSA-N 381.288 3.716 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)c1 18062260 LQUJDOQDBCVUME-CALCHBBNSA-N 386.517 3.914 0 40 GHAB O=C(Nc1cccc2[nH]ccc12)c1occc1CS(=O)(=O)c1ccccc1 65478165 POKKVKBLBLCLBY-UHFFFAOYSA-N 380.425 3.987 0 40 GHAB CC1=NN(c2ccc(C(=O)NCC(C)(C)c3ccc4c(c3)OCO4)cc2)CC1 65514353 LUEITEPRJGMBCU-UHFFFAOYSA-N 379.460 3.709 0 40 GHAB CCC(CC)NC(=O)[C@H](C)SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 14231707 HULIJPWTYBHVDX-NSHDSACASA-N 393.578 3.790 0 40 GHAB CCCN(CC(F)(F)F)C(=O)c1nnn(-c2ccc3ncccc3c2)c1C 66760853 USUXGKTUCMHZEF-UHFFFAOYSA-N 377.370 3.538 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc21 15867562 XLYIWIHIQBIJPA-UHFFFAOYSA-N 385.489 3.893 0 40 GHAB Cc1c(Cl)c(COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)nc2ccccc12 7783487 DQSFPITYVQAFQK-BEFAXECRSA-N 390.892 3.694 0 40 GHAB Cc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(-c3ncn[nH]3)c2C)cs1 7844783 AODUYEPQYXGCAM-UHFFFAOYSA-N 392.488 3.825 0 40 GHAB CCc1[nH]c(C(=O)NCc2ccc(-c3csc(C)n3)o2)c(C)c1C(=O)OC 16298456 APIVWLYTOUSCCI-UHFFFAOYSA-N 387.461 3.627 0 40 GHAB COc1ccc(OC)c(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)c1 9358337 UZCUTMQBQJMUNO-UHFFFAOYSA-N 377.404 3.936 0 40 GHAB COc1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccccc2)cc1O 83862062 WCPZMCXVNYONDA-UHFFFAOYSA-N 390.439 3.925 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2c(C(=O)OC)sc3ccccc23)cc1 9646341 JHLFHLPSQYWNMY-UHFFFAOYSA-N 391.470 3.887 0 40 GHAB Cc1cc(N2CCC(N[C@H](C)c3ccc(Br)o3)CC2)nc(C)n1 97105316 AMJODIFGHKSLAB-GFCCVEGCSA-N 379.302 3.769 0 40 GHAB CNC(=O)c1cccc(NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c1C 95960824 IKEYSPJIPSNCAF-AWEZNQCLSA-N 378.432 3.892 0 40 GHAB C[C@@H]1Oc2c(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cccc2[C@@H]1C 9954347 QFOWVEIUPYRXSR-SJORKVTESA-N 384.520 3.826 0 40 GHAB CCOc1ccc(-c2cc3c(SCC(=O)N4CCCC4)nccn3n2)cc1 67290262 GKVZGBUXBCHAAE-UHFFFAOYSA-N 382.489 3.510 0 40 GHAB CC(C)Oc1ccc(N(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1 22380034 IOLCQVULUGKNOL-UHFFFAOYSA-N 396.896 3.532 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Br)cc1F)n1cc(Br)cn1 28224082 IJNQRVASYUHTOW-ZETCQYMHSA-N 391.038 3.747 0 40 GHAB O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCN(Cc2ccccc2)CC1 524735418 BEBMXOPDDDQUQS-NRFANRHFSA-N 379.529 3.874 0 40 GHAB Cc1ccc(OCc2nn(CC(=O)N[C@H]3CCCC[C@H]3C)c(=S)o2)cc1 409157486 MUJRLRCCPVUUFF-ZBFHGGJFSA-N 375.494 3.788 0 40 GHAB CCCOc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccccc3OC)no2)cc1 32623645 BABQNPUFUZXZNC-AWEZNQCLSA-N 397.431 3.940 0 40 GHAB O=C(CCc1csc2nc(C3CC3)cn12)NCc1nc(-c2ccccc2)no1 70655565 UPFOHKFBFNSTCT-UHFFFAOYSA-N 393.472 3.572 0 40 GHAB COc1ccccc1Oc1cncc([C@@H]2CCCN(Cc3cn(C)nc3C)C2)n1 72362586 FTXIPNJNHLMJBW-QGZVFWFLSA-N 393.491 3.699 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2noc(C3CCCCC3)n2)c1 33013472 WLYOUBHGKMEYIE-UHFFFAOYSA-N 393.509 3.823 0 40 GHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)Cc2ccc(OC)cc2)n1 72378838 NKYIXOGFEKDBSO-HXUWFJFHSA-N 390.487 3.745 0 40 GHAB CN(C)c1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccc(F)cc23)cc1 64471670 FNXDRAWYVRVUCV-UHFFFAOYSA-N 394.450 3.656 0 40 GHAB COC(=O)c1cc(OCC(=O)Nc2ccc(C)cc2C)c2cc(F)ccc2n1 65033288 JGXCKJASHSGLFY-UHFFFAOYSA-N 382.391 3.795 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 216435074 GRPUEWULJOWBCZ-KRWDZBQOSA-N 398.503 3.982 0 40 GHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C 223853317 MMEQALRGKXDVKF-VQTJNVASSA-N 378.501 3.920 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 222963822 DLGYAQYYAZGMLS-HXUWFJFHSA-N 382.504 3.742 0 40 GHAB CN(c1cccc(C(=O)NCc2ccc(F)cc2)c1)S(=O)(=O)c1ccccc1 222536935 LXCUPSCULNPHCW-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB CN(C)Cc1ccc(CNC(=O)Nc2ccc(F)cc2Br)cc1 40121682 NVVLSPGARIUAPY-UHFFFAOYSA-N 380.261 3.972 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1S(=O)(=O)N1CCCCCC1 195530880 SECMOGOIAKHRPE-YQVWRLOYSA-N 388.533 3.710 0 40 GHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 224952974 KXPVDDLSNIIFIA-UHFFFAOYSA-N 397.880 3.741 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224204912 SSJLPVSEIBXXHO-HXUWFJFHSA-N 396.531 3.872 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1F 223754081 OJVZUFQWWNQNCC-QGZVFWFLSA-N 398.478 3.681 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1 224267978 UIQVWOAUWKGNMG-LJQANCHMSA-N 388.895 3.662 0 40 GHAB CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cccc(OC)c1 95116590 DBOSUCFDUUFXSO-QFIPXVFZSA-N 395.503 3.723 0 40 GHAB O=C(Cc1ccsc1)NC1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1 90591671 FBCNELSQGIPXAZ-UHFFFAOYSA-N 396.491 3.672 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2)n1 148404677 ZQSGFEHWVSEZDV-UHFFFAOYSA-N 376.460 3.502 0 40 GHAB O=C(NC1CCCC1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 146031533 NTYMDMKNLGJWTK-UHFFFAOYSA-N 378.881 3.813 0 40 GHAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1ccc2c(c1)N=C(O)CO2 95480840 MWZFOMAFMRDYOZ-UHFFFAOYSA-N 378.432 3.686 0 40 GHAB COc1ccc([C@H](N)c2n[nH]c(-c3ccc(C(F)(F)F)cc3)n2)cc1OC 95533862 NJMGYXBORSVPRE-HNNXBMFYSA-N 378.354 3.556 0 40 GHAB Cc1ccc(S(=O)(=O)c2ccc(Cn3cnc(C(C)(C)C)cc3=O)cc2)cc1 585084775 DAIHAGUBJDJTJW-UHFFFAOYSA-N 396.512 3.730 0 40 GHAB Cc1nccc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)n1 257277907 NZZCKXNRVKOJER-SFHVURJKSA-N 382.851 3.995 0 40 GHAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cccnc4)C3)o2)c1 257333873 YDMCULXBNCWESM-GOSISDBHSA-N 377.444 3.689 0 40 GHAB Cc1noc(C)c1C(=O)N1[C@H]2CCCCC(=O)N[C@@]2(C)C[C@H]1Cc1ccccc1 257269698 MQZKQEJRYFRRTD-MSYCTHLASA-N 395.503 3.566 0 40 GHAB Cc1nc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)sc1C 257249526 JIUBTQDPOUSQCC-GUUAHRICSA-N 396.516 3.686 0 40 GHAB CCCNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(N2CCCC[C@H]2C)n1 260739790 PDQUJUQOMDDFMY-HZPDHXFCSA-N 390.601 3.788 0 40 GHAB O=C(NC12CCC(CC1)CC2)[C@@H]1CCO[C@H]1c1cncc(Br)c1 622879989 HWHFIUVDZOQJLD-NJYZYOCVSA-N 379.298 3.761 0 40 GHAB C[C@H]1c2ccccc2C[C@H]1NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 666855020 VSDZJBUXGSVYBV-MEDUHNTESA-N 378.881 3.593 0 40 GHAB CC(C)COCCC(=O)NCC1(c2cccc(Br)c2)CCOCC1 54607754 VQFIARZQBZCUCN-UHFFFAOYSA-N 398.341 3.676 0 40 GHAB O=C1[C@@H](Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)CCN1c1ccccc1 68769890 BMEPZPIJVBKYDY-HNNXBMFYSA-N 399.376 3.775 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(Cc3ccncc3)C2)on1 72342926 ANGUFUIYAKTZQQ-GOSISDBHSA-N 388.475 3.776 0 40 GHAB COc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(Cl)c1OC(C)=O 994423 ZWTZGAJSFXPJFM-KPKJPENVSA-N 377.805 3.680 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1 5782730 BLVPXLHZMAWNRT-UHFFFAOYSA-N 375.808 3.702 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1F 5430305 IDVYTMDQAFYIFR-UHFFFAOYSA-N 388.443 3.898 0 40 GHAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 5636547 FBIUNZJRGBLYAW-UHFFFAOYSA-N 386.517 3.659 0 40 GHAB COc1ccc(CN2CCc3nc4cc(-c5ccoc5C)nn4c(O)c3C2)cc1 12667119 PZFMJYZYYRUCOU-UHFFFAOYSA-N 390.443 3.570 0 40 GHAB COc1cccc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)c(=O)oc12 12930566 LVWVQNDDYXTXTD-UHFFFAOYSA-N 377.318 3.750 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)c(C)c1 13848706 XRFYDQOHBKWYDP-UHFFFAOYSA-N 386.517 3.578 0 40 GHAB Cc1nnc2sc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nn12 16363519 GMRMUFWBYIPAGP-UHFFFAOYSA-N 399.863 3.832 0 40 GHAB Cc1ccc(CN2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)cc1C 19213934 WTMKQNWXZNEUSL-FQEVSTJZSA-N 377.536 3.599 0 40 GHAB NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2cccc(F)c2)C1 19331728 QOXLOYDUONXELB-XMMPIXPASA-N 389.474 3.808 0 40 GHAB COc1ccc(OC)c(C(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2)c1 19551058 NWOROQWCRRMCSR-IBGZPJMESA-N 392.459 3.856 0 40 GHAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC[C@@H](N4CCCC4)C3)c2)n1 19718347 LPSHUKCNGIUGAS-GOSISDBHSA-N 386.927 3.843 0 40 GHAB Cc1nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCCCC1 19763295 BFRARNMHVGOGKO-LJQANCHMSA-N 396.510 3.930 0 40 GHAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(C)o3)C(=O)O)o2)c1 7342162 GOKNJCQFHULFAP-DHDCSXOGSA-N 388.401 3.873 0 40 GHAB Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(Cl)nc(Cl)c1 2570642 KRXGQXVBBFAHEL-UHFFFAOYSA-N 394.287 3.915 0 40 GHAB COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1c(C)noc1C 16085741 JPKPAMWSXMHRKJ-UHFFFAOYSA-N 387.504 3.546 0 40 GHAB CC(C)c1ocnc1CN1CCC[C@H](COc2ncc(Br)cn2)C1 1776000815 LJIQYXYSWUSDHU-ZDUSSCGKSA-N 395.301 3.642 0 40 GHAB CC(C)COc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)cn1 1776009823 SLDJMLIUQBNYIP-IRXDYDNUSA-N 388.899 3.975 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 244947605 DSSBOCLVBQNLDJ-UXHICEINSA-N 386.455 3.893 0 40 GHAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc2c(c1)OCO2 4088031 DWXCNCDSZRKCTB-UHFFFAOYSA-N 389.433 3.951 0 40 GHAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)Cc1cccc2ccccc12 5075934 FDPOFOFALGRNRU-UHFFFAOYSA-N 394.496 3.869 0 40 GHAB CC(C)C(=O)Nc1ccc(SCC(=O)Nc2ccccc2C(F)(F)F)nn1 13702081 ASEVYDJHGCKABC-UHFFFAOYSA-N 398.410 3.821 0 40 GHAB COc1cc(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c(OC)c2c1OCO2 15085874 PJPLVQXFZISNKS-CQSZACIVSA-N 375.808 3.822 0 40 GHAB Cc1nnc(SCC(=O)N2CCCCCC2)c2c1cnn2-c1ccccc1 23137557 IUMMYWHGOBJMGB-UHFFFAOYSA-N 381.505 3.619 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NCc1cncc(-c2ccsc2)c1 206950540 VVUQHNCARSKUCM-UHFFFAOYSA-N 394.905 3.951 0 40 GHAB COc1cc(C)c(CN[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(F)cc2)cc1C 19567396 OSSDYXTUNFLIGT-OAQYLSRUSA-N 395.478 3.916 0 40 GHAB O=C(NCc1nnc(S)n1-c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 35587910 LUCYAMDCGDCKAT-UHFFFAOYSA-N 386.496 3.528 0 40 GHAB CC(C)(C)[C@@H](NC(=O)NCc1ccc(N2CCOCC2)nc1)c1cccs1 40150024 SPUIUVLSXMLYCA-SFHVURJKSA-N 388.537 3.566 0 40 GHAB CCOC(=O)c1cnc(-c2ccccc2)nc1N1CCN(c2ccccc2)CC1 797398 XDZLNOLCLXSIPB-UHFFFAOYSA-N 388.471 3.647 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)c2ccccc2)cc1 806144 VXPDJJVQONWYLI-UHFFFAOYSA-N 395.436 3.543 0 40 GHAB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)cc2)CC1 812013 REESISMJIXZIHT-UHFFFAOYSA-N 399.922 3.826 0 40 GHAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)COc1ccccc1 32074424 LARDYYJTXGBKKJ-UHFFFAOYSA-N 375.384 3.916 0 40 GHAB CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2ccc(F)cc21 32095121 NCLNJMJNCYXTRI-QFIPXVFZSA-N 390.418 3.964 0 40 GHAB Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc(N(C)C)cc3)CC2)cc1 1336436 VPXKGMMXUNXBBL-UHFFFAOYSA-N 379.504 3.594 0 40 GHAB COC(=O)C[C@H]1c2cc(OC)c3cccc(OC)c3c2CC[C@]1(C)C(=O)OC 1596027 RIUTZYSUTYGRHE-AOMKIAJQSA-N 386.444 3.629 0 40 GHAB CCc1c(C)sc2ncn3nc(CCn4nc(C(F)(F)F)cc4C)nc3c12 2790143 IVGRZKCSODUOEE-UHFFFAOYSA-N 394.426 3.976 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccccc4OC)cnn32)cc1 20723046 CVFRJMZDPPWGHR-QGZVFWFLSA-N 392.415 3.739 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCCCC2)sc2c1CC[C@H](C)C2 3345258 YNLGXYAZMOHRJF-UONOGXRCSA-N 378.538 3.863 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 3498954 IFFPAHYWILSAAZ-UHFFFAOYSA-N 393.394 3.720 0 40 GHAB CS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1 32300372 BWTXVSDDLIVMAZ-UHFFFAOYSA-N 390.408 3.922 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)cc2NC1=O 32493602 QZYUXTFFCQTARU-LBPRGKRZSA-N 396.834 3.557 0 40 GHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccc(F)cc1 6256644 PXPDKDNGYIRIQX-IBGZPJMESA-N 387.407 3.503 0 40 GHAB C[C@H](Cn1cc(Br)cn1)C(=O)Nc1ccccc1C(F)(F)F 6852915 IAEPVLNABPSMTA-SECBINFHSA-N 376.176 3.939 0 40 GHAB CCCCn1nnnc1CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 6935324 IVKQPZARNFNMMG-UHFFFAOYSA-N 385.541 3.859 0 40 GHAB O=C1CCc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc2N1 7667890 NKCNUYYZJVFSIZ-UHFFFAOYSA-N 392.480 3.639 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H](c1ccc(F)cc1)C(C)C 32744981 DVQKUBMHVUDGHW-LJQANCHMSA-N 392.496 3.512 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)N3CCCc4ccccc43)c(C)c2c1 2662500 KNXPDRSZOKSNQC-UHFFFAOYSA-N 379.412 3.886 0 40 GHAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 100183055 QXUAOCLDHANCHP-GGPKGHCWSA-N 398.528 3.571 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(Cl)cc1Cl 32929766 BMRZQOWQZVYJTC-RYUDHWBXSA-N 378.321 3.698 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)c1 24349377 QSGRQJUIXQUDAK-UHFFFAOYSA-N 398.422 3.596 0 40 GHAB CCCCN1C(=O)[C@H]2[C@@H](c3ccc(OC)cc3)N(c3ccccc3C)O[C@H]2C1=O 102862244 UQWSVJQDAOICJZ-PWRODBHTSA-N 394.471 3.650 0 40 GHAB COc1cccc([C@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)N2CCCC2)c1 41816302 RUYHQQUFCMPLFU-FSSWDIPSSA-N 382.479 3.891 0 40 GHAB COC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118931396 JBYDGFJFASWXRX-BDKZWSFCSA-N 392.536 3.865 0 40 GHAB Cc1cccc(CN2CCN(Cn3nc(-c4ccccc4)[nH]c3=S)CC2)c1 22815809 QDYZIMZUJOYESO-UHFFFAOYSA-N 379.533 3.691 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 22889081 BUDCPLLMTDFWKV-UHFFFAOYSA-N 386.415 3.891 0 40 GHAB CCOc1ccc(N2C(=O)C[C@H](Cc3ccc(Br)cc3)C2=O)cc1 831963 UDVACDMBVMFRSO-AWEZNQCLSA-N 388.261 3.970 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2 23715870 IYYHBBKIECSMPX-UUILKARUSA-N 385.763 3.831 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCNC(=O)Nc2ccccc2)c1 24354825 MSAZJMGLFCEMLG-IBGZPJMESA-N 397.475 3.579 0 40 GHAB COc1ccc(CCCNC(=O)COc2ccc3ccccc3c2)cc1OC 65086510 ZVMONBKYFDRTPK-UHFFFAOYSA-N 379.456 3.985 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1SC)N(c1ccccc1F)S(C)(=O)=O 113966912 MQNLOAOBDGNQPU-HNNXBMFYSA-N 396.509 3.731 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)OCc1cc(=O)n2c(n1)sc1ccccc12 24760055 JQDUIPZGSFWWBV-UHFFFAOYSA-N 389.436 3.676 0 40 GHAB CCc1ccc2nc(NC(=O)c3ccc(CN4CCOCC4)cc3)sc2c1 25514139 STEHFRLQORRTGL-UHFFFAOYSA-N 381.501 3.943 0 40 GHAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2cccc(F)c2)cc1 35685030 XKYVGJCYNBBVDX-KRWDZBQOSA-N 380.379 3.869 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)ccc1Br 3316085 UFSRVKWQEKIMIJ-UHFFFAOYSA-N 397.656 3.789 0 40 GHAB Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(c4ncccn4)C3)n2)cc1 27596306 SVBCLAQVTFNSFM-INIZCTEOSA-N 379.489 3.764 0 40 GHAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2C)C1=O 2116575 OIFHFYGAOHYIPT-NZQKXSOJSA-N 387.483 3.571 0 40 GHAB biogenic COc1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 27994847 BVFLLOQGYUWSPT-IBGZPJMESA-N 388.533 3.869 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccccc2)cc1 12769742 CODSHUVIDHLWMW-UHFFFAOYSA-N 382.489 3.665 0 40 GHAB CCCOc1c(Cl)cc(C(=O)NCCc2nc3ccccc3[nH]2)cc1OC 28853798 WKRJRGCLTOAVBK-UHFFFAOYSA-N 387.867 3.986 0 40 GHAB Cc1cccc(C)c1N1C(=O)C[C@@H](N2CCC(Cc3ccccc3)CC2)C1=O 21548656 BFOKMCCFJVOADG-OAQYLSRUSA-N 376.500 3.890 0 40 GHAB COCc1c(C(=O)OCCn2c(C)csc2=O)sc2cccc(F)c12 12806205 XQPGHVRGHHOVQR-UHFFFAOYSA-N 381.450 3.575 0 40 GHAB O=C(CCNC(=O)c1ccccc1Cl)N[C@H]1CCSc2ccc(F)cc21 13011757 GFCBTZHVAYGBDB-INIZCTEOSA-N 392.883 3.952 0 40 GHAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc3ncsc3c2)c1C 4195093 ZOILMRVXTXARLL-ZDUSSCGKSA-N 386.473 3.962 0 40 GHAB COc1ccc(-c2nn3c(COc4cccc(C)c4)nnc3s2)cc1OC 5032336 QGKGPYNZWQKWIG-UHFFFAOYSA-N 382.445 3.757 0 40 GHAB Cc1ccccc1C(=O)N1CCO[C@@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306140884 VGDIYSKNTXDOHB-JOCHJYFZSA-N 398.466 3.918 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 5211150 RATVCXNHLXKGFD-YZVOILCLSA-N 383.492 3.587 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 8729120 NKOGXINVFBBONW-WDEREUQCSA-N 389.839 3.507 0 40 GHAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccncc1 8725661 RGFONTXLKYAFJX-AWEZNQCLSA-N 399.447 3.513 0 40 GHAB Cc1nc2sc(C(=O)OCC(=O)Nc3ccc(C(C)C)cc3)c(C)c2c(=O)[nH]1 6647536 OTTICAZYFROUJY-UHFFFAOYSA-N 399.472 3.520 0 40 GHAB O=S1(=O)C[C@H]2N=C(SCc3cccc(Cl)c3)N(c3ccccc3)[C@H]2C1 6672135 SHWYUJWGMJVHAW-SJORKVTESA-N 392.933 3.615 0 40 GHAB O=C(CSCC(=O)NCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 6850576 BNVYORIGWDJYHR-UHFFFAOYSA-N 397.327 3.659 0 40 GHAB Cc1nc(C(=O)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)nn1-c1ccc(F)cc1 15200445 CWKTUJCUIKMCHU-JTQLQIEISA-N 383.354 3.763 0 40 GHAB CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 7003331 ALHFNXKSGZLBQM-UHFFFAOYSA-N 390.530 3.720 0 40 GHAB C[C@@H]1CCC[C@H](NC(=O)c2cccc(=O)n2CCOc2ccccc2Cl)C1 89927280 YEIJDVDWOFZAFB-CVEARBPZSA-N 388.895 3.889 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@H](C)c2ccc(OC)c(F)c2)c1C 9076940 ZOAYNKBEHQIIHD-TZMCWYRMSA-N 390.455 3.878 0 40 GHAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)on1 8256460 YHSUOGCHVQXXQI-MRVPVSSYSA-N 376.718 3.839 0 40 GHAB O=C(NCc1ccccc1)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 9484126 DSPDXVYXIFWKLW-HXUWFJFHSA-N 389.499 3.656 0 40 GHAB Cc1cc(C)c(C)c(S[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)c1C 84075084 YYTJOXFHFKKVNJ-QZTJIDSGSA-N 376.566 3.761 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 408551473 HZGXEGXENQXSPB-CQSZACIVSA-N 378.469 3.563 0 40 GHAB O=C(Nc1ccc(Oc2ncccn2)cc1)C(=O)c1ccc(Br)cc1 72284647 HVBIIMQALYSAQK-UHFFFAOYSA-N 398.216 3.853 0 40 GHAB Cn1ncc(Cl)c1-c1nnc2sc(-c3cccc(C(F)(F)F)c3)nn12 79478902 SONVTXRSNCMWCT-UHFFFAOYSA-N 384.774 3.926 0 40 GHAB COCCn1c(SCc2cc(-c3ccco3)on2)nnc1-c1ccncc1 22134013 OLYSAAUXTMLXAD-UHFFFAOYSA-N 383.433 3.527 0 40 GHAB O=C(NC[C@H](O)c1ccc2ccccc2c1)c1cccn(Cc2ccccc2)c1=O 84544757 UGMKANYGMNUGFR-QHCPKHFHSA-N 398.462 3.513 0 40 GHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@H](c1c(F)cccc1F)N(C)C 95436633 RTKOTRFIRWVHFV-KRWDZBQOSA-N 384.373 3.828 0 40 GHAB O=C(Cn1cc(CCCO)c(C(F)(F)F)n1)Nc1ccc(Cl)c(Cl)c1 95460298 IIEVUIZVNCKDDT-UHFFFAOYSA-N 396.196 3.772 0 40 GHAB CCc1cnc(NC(=O)[C@H]2CCC[C@@H]2C(=O)Nc2ncc(CC)s2)s1 89289671 NIGWAYJAZYQJMI-STQMWFEESA-N 378.523 3.718 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc(N2CCCC2=O)cc1 21668775 JMOIQQSOBOBILO-UHFFFAOYSA-N 390.842 3.643 0 40 GHAB O=C(C1CCC(OC[C@H]2CCCO2)CC1)N1CC[C@@]2(CCc3ccccc3O2)C1 552776230 ZRMPJUWJFYVKQN-JQGMKKRVSA-N 399.531 3.737 0 40 GHAB COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C(C)=O)cc1 35289552 PUMMKKZXABECEA-GOSISDBHSA-N 381.432 3.533 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CNc3ccc(F)cc3)C2=O)cc1OC 408725964 JOXIXJMOJYUDNX-LICLKQGHSA-N 388.420 3.949 0 40 GHAB COc1ccccc1-c1cnc2n1C[C@]1(CCN(Cc3cnn(C(C)C)c3)C1)C2 306138355 RVUPTIZMUJYJRE-HSZRJFAPSA-N 391.519 3.785 0 40 GHAB COc1ccc(-c2nnc(CN(C)C(=O)CCCc3ccccc3)o2)cc1OC 408713915 COOHBTXTCXWKLW-UHFFFAOYSA-N 395.459 3.735 0 40 GHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(F)c2)cc1 32585898 RUQDGXOJHXMIDG-UHFFFAOYSA-N 381.425 3.592 0 40 GHAB CC1CCN(C(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)CC1 408599990 QJBXXRWGGFCFRG-UHFFFAOYSA-N 389.835 3.828 0 40 GHAB CCn1ccnc1[C@@H]1CCCCN1C(=O)NCC1(c2cccc(OC)c2)CC1 515447343 GRMNIMHGCZBUJW-IBGZPJMESA-N 382.508 3.880 0 40 GHAB COC(=O)C(Cc1ccccc1)(Cc1ccccc1)S(=O)(=O)c1ccccc1 3849370 IPUNZPIOMOZIKC-UHFFFAOYSA-N 394.492 3.858 0 40 GHAB biogenic Cc1cc(-c2nn3c(C(F)(F)F)nnc3s2)cc(Br)c1N 73634330 IVOZLUGGSNYNMV-UHFFFAOYSA-N 378.177 3.525 0 40 GHAB COc1ccc(-c2cnn3c(C)c(C(=O)Nc4ccccc4OC)cnc23)cc1 38829638 PRGXVEZYCMXVBJ-UHFFFAOYSA-N 388.427 3.974 0 40 GHAB O=C1N[C@]2(COC3(CCN(Cc4ccccc4)CC3)C2)Nc2ccc(Cl)cc21 72325564 MNRDFDYZSICUPX-JOCHJYFZSA-N 397.906 3.647 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)N[C@H](C)c1ccc(Cl)cc1Cl 32895561 FSYOENSTZSXMIN-MRVPVSSYSA-N 394.301 3.881 0 40 GHAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)OCc2nnc(C)o2)cc1 32885184 IQWKLZTWDSJBRG-UHFFFAOYSA-N 388.427 3.955 0 40 GHAB CC[C@H](NC(=O)c1nnn(-c2ccccc2C)c1C)c1c(C)nn(CC)c1C 72391814 ONCPRDDXQRJAQA-KRWDZBQOSA-N 380.496 3.598 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccc(-n2cncn2)cc1 45806843 FYEYQNLGKIQRBB-UHFFFAOYSA-N 393.447 3.768 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 225184038 CNQOZWARQPTQOX-HNNXBMFYSA-N 390.936 3.737 0 40 GHAB C[C@@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)NC(C)(C)C)n1 225894347 DPSRZODQDDCBCW-OAHLLOKOSA-N 390.601 3.931 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)c1 220124946 UTYVIJTYCSPYLZ-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)NCc1cccn1-2 225380079 WSAMXHPUZBSKLH-CQSZACIVSA-N 377.469 3.840 0 40 GHAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 224968233 CUFXQWNTRYCXGQ-UHFFFAOYSA-N 397.880 3.741 0 40 GHAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1CSc1ccc(C)cc1 224340436 RSDNOJNQSWIPAL-UHFFFAOYSA-N 398.528 3.633 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)NCC(C)C 225664107 OWGFDRVWOVRZNY-UHFFFAOYSA-N 396.896 3.535 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 222849411 DGGVPNWSAQHZJA-JOCHJYFZSA-N 396.531 3.878 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 222732776 XYRZQTRYZQZELE-VQIMIIECSA-N 398.478 3.686 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1 224032203 VZVHADBOZDFZGE-UHFFFAOYSA-N 393.515 3.640 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)NCCOc1cccc2ccccc12 223540308 DNKPNQDNQPFNPN-UHFFFAOYSA-N 375.877 3.992 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 222588171 YDLFAOTZEQDXJH-MRXNPFEDSA-N 388.508 3.780 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccc(C)c(C)c3)ccc21 224984164 UVACDMLMBXKGKR-INIZCTEOSA-N 386.517 3.642 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)c(C)c1C 223643962 LYBDUCQLMDWVML-UHFFFAOYSA-N 385.485 3.823 0 40 GHAB O=C1CCCN1c1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1 225865310 ZKTRCGKJOLLALF-UHFFFAOYSA-N 380.517 3.964 0 40 GHAB COc1cc(COCC2CCN(Cc3cn4ccccc4n3)CC2)cc(OC)c1 77191462 BPAQVXHSNYXBRN-UHFFFAOYSA-N 395.503 3.780 0 40 GHAB COc1cccc(CSC[C@H](O)[C@@H](O)CSCc2cccc(OC)c2)c1 96137139 PJSSAKODMSVJKE-PMACEKPBSA-N 394.558 3.592 0 40 GHAB O=c1[nH]cccc1[C@H]1SCC(O)=Nc2c1cnn2Cc1ccccc1Cl 95480321 LEGBOBBNVHRXTH-MRXNPFEDSA-N 386.864 3.697 0 40 GHAB O=C(C[C@H]1CC2(CCN(C(=O)CC3CC3)CC2)c2ccccc21)NC1CCC1 96242152 RHTUXAUYJZGVFN-SFHVURJKSA-N 380.532 3.893 0 40 GHAB O=C(C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)Oc2ccccc21)NC1CC1 96053417 GJFMQUOVVRBDQT-GOSISDBHSA-N 380.488 3.849 0 40 GHAB CC[C@H](C)NC(=O)N1CCC2(CC1)C(=O)N(c1cccnc1)c1ccccc12 96078912 RWRDHACSGPWYCC-INIZCTEOSA-N 378.476 3.602 0 40 GHAB Cc1nc2cc(NC(=O)c3cc(-c4ccco4)n[nH]3)ccc2n1CCCN(C)C 96223579 LYXSDRLMAKWKTJ-UHFFFAOYSA-N 392.463 3.532 0 40 GHAB O=C(Cn1ccnc1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257220602 DLJPLDUMFYULSD-GOSISDBHSA-N 384.867 3.869 0 40 GHAB CCc1n[nH]c(C(=O)N2[C@@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3)c1C 257334079 YEKVTXATLSYJMF-ROLQDKDTSA-N 392.547 3.637 0 40 GHAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)/C=C/c3ccccc3)[C@@H]1CCC[C@@H](O)[C@H]2O 257304721 SMWISVNQKNKZKH-PXCLRTGGSA-N 391.511 3.954 0 40 GHAB CC(=O)N(C)C1CCN(C(=O)NCCc2ccc(C3CCCCC3)cc2)CC1 665577441 UGDLLEIQIIJPMA-UHFFFAOYSA-N 385.552 3.929 0 40 GHAB O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccccc1F)CC2)c1ccoc1 90582826 IZCQCFSVEOJDEA-UHFFFAOYSA-N 386.408 3.718 0 40 GHAB NCCCOc1cccc(C(=O)N2CCCC[C@@H]3N[C@H](c4ccccc4)C[C@H]32)c1 585261641 ARJGFJKNXPHBBG-RJGXRXQPSA-N 393.531 3.512 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 585289089 DHQVKBZQUUPHGC-LBPRGKRZSA-N 382.386 3.903 0 40 GHAB CC(C)CN1CCC(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 62639991 HLMNBTNYNFOKHK-KRWDZBQOSA-N 377.960 3.651 0 40 GHAB COc1ccc(CNC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1OC 95369331 FZOMBDWOYIGNMK-ALOPSCKCSA-N 376.497 3.724 0 40 GHAB Cc1ccc(S(=O)(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c(C)c1 12818148 RRFDKPBFOQNIQM-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB COc1ccc(CN2CCN(c3ncnc4cc(Cl)ccc34)CC2)cc1OC 12849231 JRQNCHMYMZDPAH-UHFFFAOYSA-N 398.894 3.623 0 40 GHAB COc1ccccc1C(=O)NCCC(=O)N(Cc1ccco1)Cc1cccs1 12973603 QVHHYIUROJJKBR-UHFFFAOYSA-N 398.484 3.699 0 40 GHAB CC(C)(C)NC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1 15673672 ZCOPNAIHZVMNDU-ROUUACIJSA-N 375.557 3.870 0 40 GHAB biogenic,in-vitro CC(C)C(=O)Nc1nnc(SCc2cc(=O)c3cccc(Cl)c3[nH]2)s1 15787076 IEVVIWWMJFMUFT-UHFFFAOYSA-N 394.909 3.920 0 40 GHAB Cc1ccc2oc(C(=O)N3CCC(c4ncc5c(n4)CCNC5)CC3)c(C)c2c1 19220377 WPODZGNVZLKCIN-UHFFFAOYSA-N 390.487 3.505 0 40 GHAB COCc1ccc(OC)c(CN2CCC(c3cc4ncc(C)nc4[nH]3)CC2)c1 19239388 SBISZRAJHLIPHR-UHFFFAOYSA-N 380.492 3.801 0 40 GHAB CC(C)Oc1cccc(CN2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1 19450822 AGYZUKXYROATOO-SFHVURJKSA-N 390.487 3.609 0 40 GHAB C[C@H](Cn1cncn1)C(=O)Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1 19457882 FJLJQLUCAFGTTR-CYBMUJFWSA-N 381.402 3.562 0 40 GHAB Cc1ccc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)cc1N1CCCC1 19664009 IJDCPSSYOYUKBE-OAQYLSRUSA-N 379.504 3.812 0 40 GHAB CNc1cc(CN(C)Cc2ccc(-c3ccccn3)cc2)nc([C@H]2CCCN2)n1 19760056 UTBIWTFHLWZLSE-OAQYLSRUSA-N 388.519 3.637 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(OC)cc2)o1 19929332 SNKXBGWVXRRMNH-UHFFFAOYSA-N 399.472 3.950 0 40 GHAB CC(C)C(=O)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 7496725 WIMFGWFHXJNJPI-MDWZMJQESA-N 377.488 3.643 0 40 GHAB Cc1c(Br)cnc(Cl)c1NS(=O)(=O)c1ccc(F)cc1F 1255999015 SIBVYHGXHSECNB-UHFFFAOYSA-N 397.628 3.885 0 40 GHAB Cc1cnc(N=c2cncc(C3CCN(C(=O)C4CCCCC4)CC3)[nH]2)s1 2037834844 XMVXXPVGCMNMGP-UHFFFAOYSA-N 385.537 3.693 0 40 GHAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3ccc(F)cc3F)C2)cc1C 2037913055 NAUGRQGBTNWIGB-OAQYLSRUSA-N 375.415 3.628 0 40 GHAB Cc1cccc(C)c1CN1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037977950 ZTLJRVLQTUQWSV-UHFFFAOYSA-N 382.479 3.841 0 40 GHAB Cc1ccc2sc(N3CC[C@H](COc4ccc5nccn5n4)C3)nc2c1C 2087067291 WWYSIOVQNDZWCN-HNNXBMFYSA-N 379.489 3.861 0 40 GHAB O=C(/C=C/c1ccco1)NCCc1csc2nc(-c3ccc(F)cc3)nn12 4374812 KYTRPIKFKFUIFI-BQYQJAHWSA-N 382.420 3.562 0 40 GHAB COc1ccc(-c2ccc3nnc(SCC(=O)c4ccccc4)n3n2)cc1 4376572 SLJLPMWVRHLAPD-UHFFFAOYSA-N 376.441 3.775 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)NC[C@H](c1ccsc1)N1CCCC1 8900260 NDOMTVNWCOYFIX-QGZVFWFLSA-N 384.954 3.658 0 40 GHAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 9659274 GJTJDPIXWRUYQV-UHFFFAOYSA-N 395.440 3.614 0 40 GHAB COc1ccc2nc(-c3ccc(C)c(NC(=O)COc4ccccc4)c3)cn2n1 12441206 KFWBNLHPOXOIGI-UHFFFAOYSA-N 388.427 3.731 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3cccc(F)c3)n2)cc1 13801317 GJNBDGHXQJQFCM-UHFFFAOYSA-N 380.423 3.570 0 40 GHAB COc1ccc(CN2C(=O)CCC23CCN(Cc2cccc(OC)c2)CC3)cc1 2055819377 WXIBZVVSUUKKMA-UHFFFAOYSA-N 394.515 3.861 0 40 GHAB COc1ccc2ccccc2c1CCC(=O)NC[C@@H]1CCCN1c1ccccn1 225629973 MJDMHHCXWSMKKZ-IBGZPJMESA-N 389.499 3.961 0 40 GHAB CC(=O)c1cccc(NC(=O)CCCn2cnc(-c3ccc(F)cc3)cc2=O)c1 49028190 WMWXPYAULDTJLG-UHFFFAOYSA-N 393.418 3.671 0 40 GHAB COc1cccc(CCC(=O)Nc2cccc(C(=O)c3ccncc3)c2)c1OC 41107846 QOQMYRSVADDWOA-UHFFFAOYSA-N 390.439 3.901 0 40 GHAB Cc1csc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)n1 40033912 MQJAEDOQJCLKHT-UHFFFAOYSA-N 375.457 3.629 0 40 GHAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(CC)[C@@]1(C)Oc1c(Cl)cc(Cl)cc12 100030013 ZOGWFCWQMAUTTQ-MKBNYLNASA-N 389.304 3.532 0 40 GHAB CN1CCCN(C(=O)c2cccc(OC(F)F)c2)c2nc3ccccc3nc21 17364276 UTMHRYWKXQAMIM-UHFFFAOYSA-N 384.386 3.718 0 40 GHAB COC(=O)c1c(NC(=O)CN(C)Cc2ccsc2)sc2c1CCCC2 7926958 NCPHNLORIZYIAQ-UHFFFAOYSA-N 378.519 3.546 0 40 GHAB COc1ccccc1CCNC(=O)c1cccc(NC(=O)c2cccs2)c1 7976828 CUWCONHURHBPRC-UHFFFAOYSA-N 380.469 3.982 0 40 GHAB Cc1ccc(C)c(-n2c(CNc3c(C)cccc3C)nnc2SCC(N)=O)c1 1328465 JBFKJUASYHRQAR-UHFFFAOYSA-N 395.532 3.690 0 40 GHAB COc1ccc(C(=O)OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(F)c1 6113668 GALZHFJSMCHNMR-QRYOHXEKSA-N 389.467 3.712 0 40 GHAB CC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 6238390 SMHMFHVUBZVKTJ-UHFFFAOYSA-N 399.516 3.835 0 40 GHAB CCOc1cccc(C(=O)Nc2nn3c(-c4ccccc4C)nnc3s2)c1 6818148 BVKGSXVOYPZFCC-UHFFFAOYSA-N 379.445 3.812 0 40 GHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2c(C)n(C)c3ccccc23)C1=O 6937259 SEJJCBJZCZFUTA-HJPCULJESA-N 386.473 3.865 0 40 GHAB Cc1ccc(-n2c(SCCN3CCOCC3)nnc2-c2ccccc2)cc1C 21225110 JKFQCEREYMEUQI-UHFFFAOYSA-N 394.544 3.975 0 40 GHAB O=C(CCSCc1cc(=O)n2ccsc2n1)Nc1ccc(Cl)cc1F 32778682 KHDBQDGUFSSBQT-UHFFFAOYSA-N 397.884 3.811 0 40 GHAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NC4CCCC4)cc3C[C@@H]2C)cc1 10326423 LZBOLJWWIREPSH-INIZCTEOSA-N 398.528 3.807 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc3ncsc3c2)c(C)n1C[C@@H]1CCCO1 2628222 CCTGWSVPXDMCAZ-INIZCTEOSA-N 398.484 3.933 0 40 GHAB Cc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2)cc1Cl 8433503 AJQIOJZVDNORFT-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB COc1ccccc1NC(=O)Cn1nc(COc2ccccc2C)oc1=S 8571618 KAVOEUZMQBXHNL-UHFFFAOYSA-N 385.445 3.740 0 40 GHAB COc1cc(/C(=C\c2ccccc2N)C(=O)O)cc(Br)c1OC 8579894 XMHSSYYKBDBYIO-KPKJPENVSA-N 378.222 3.674 0 40 GHAB CCOC(=O)c1sc(-c2ccc3c(c2)OCO3)cc1NC(=O)c1ccccn1 32842542 HYGQSVOWOSFUAG-UHFFFAOYSA-N 396.424 3.968 0 40 GHAB CCCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 2656325 XFECEFMDKNBGCB-UHFFFAOYSA-N 379.551 3.808 0 40 GHAB C[C@H](Sc1ncn(-c2ccccc2)n1)c1nc(N)nc(Nc2ccccc2)n1 21757247 STNGLHVVBATYOP-ZDUSSCGKSA-N 390.476 3.631 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 21895441 SSIIQNDUDWUVFJ-HUUCEWRRSA-N 398.956 3.633 0 40 GHAB COc1cc(C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)ccc1C 46649455 MIRGMXKFJDYRHK-UHFFFAOYSA-N 394.496 3.817 0 40 GHAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4CCCCC4)[C@H]3C2=O)cc1 101204045 PCPBOQMHDAXSPD-LFGUQSLTSA-N 377.440 3.655 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(OC)c1 51364452 IXXBQRDQXKZFHM-KRWDZBQOSA-N 390.439 3.862 0 40 GHAB Cc1cc(C(F)(F)F)nn1CCc1nc2c3c4c(sc3ncn2n1)CCC4 2789718 ZJUBEAXPIDZXRT-UHFFFAOYSA-N 392.410 3.594 0 40 GHAB COc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(C)=O)cc1 12391092 DGJVNGBUBBMHFP-UHFFFAOYSA-N 378.494 3.561 0 40 GHAB COc1ccccc1C(=O)Nc1ccc2nn(-c3ccc(N(C)C)cc3)nc2c1 990018 VEAXUZOAWOJZPY-UHFFFAOYSA-N 387.443 3.747 0 40 GHAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cc2ccccc2[nH]c1=O 12517112 MESFLVQGIDVHAI-UHFFFAOYSA-N 375.472 3.791 0 40 GHAB CSc1ccc(C(=O)CCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 12599193 UTPCIUFJXDBJKY-UHFFFAOYSA-N 398.528 3.842 0 40 GHAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(-c2ccc(F)cc2)s1 24091002 RUEUKCWGFGIDSV-UHFFFAOYSA-N 386.429 3.981 0 40 GHAB COc1ccc(OC)c(NC(=O)CN[C@H](C)c2ccccc2Br)c1 12591279 DBWBTDWPUIJGDT-GFCCVEGCSA-N 393.281 3.756 0 40 GHAB O=C(/C=C/c1ccco1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 24916857 LZJZSQXVXFPIQJ-BQYQJAHWSA-N 397.475 3.900 0 40 GHAB CC(C)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)N1CCc2ccccc2C1 25536337 QGHHFFGTALUZKB-FQEVSTJZSA-N 390.483 3.606 0 40 GHAB O=C(OCc1ccccc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3237698 VXFSIMMZIIWHNH-UHFFFAOYSA-N 393.464 3.795 0 40 GHAB CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1CN(c1ccc(Cl)cc1)C2=O 35326725 QEOBEFDWWRTCEL-QGZVFWFLSA-N 388.254 3.990 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc1 3235471 ZCUIOFDORXWDAV-UHFFFAOYSA-N 398.242 3.953 0 40 GHAB CCCCCCn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C 2060832 LAEHFLONTBCLFF-UHFFFAOYSA-N 386.521 3.604 0 40 GHAB CCOCCn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 27789116 CQBPYUWTDWWKAK-QGZVFWFLSA-N 381.451 3.728 0 40 GHAB COc1cc(C2=N/C(=C\c3cn(C)c4ccccc34)C(=O)O2)cc(OC)c1OC 12664554 XTBOMEZRLBICFP-SXGWCWSVSA-N 392.411 3.549 0 40 GHAB biogenic CC(C)C[C@@]1(c2ccccc2)NC(=O)N(Cc2nc(-c3ccccc3)no2)C1=O 12614062 PWPNGMFWAXIBMH-QFIPXVFZSA-N 390.443 3.730 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)sc1C(=O)O 58368556 LXIRWQLLDTXERG-UHFFFAOYSA-N 383.344 3.713 0 40 GHAB CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)cc(C)c2cc1Cl 2233269 VBNHNWZFXWTYIS-ZDUSSCGKSA-N 395.839 3.964 0 40 GHAB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC(C)C)cc2)C1=O 409213561 UUOKSHRVAIBNPT-WJDWOHSUSA-N 377.462 3.853 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)cc1 10680653 SGNAJJHSCPYTLQ-PBAKHKOTSA-N 394.471 3.777 0 40 GHAB COc1cc(OC)c(NC(=O)COC(=O)c2cc(C)cc(C)c2)cc1Cl 10788518 SUIOZFNCDASQNL-UHFFFAOYSA-N 377.824 3.770 0 40 GHAB COC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 3384244 XGROIYZUUWPKTE-UHFFFAOYSA-N 396.472 3.526 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCc1nc2ccccc2s1 3312364 PQLXQEGVMKLWQR-UHFFFAOYSA-N 395.889 3.857 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CN2CCC(CCc3ccccc3)CC2)cc1 11155019 HRXSZXHHRUJICM-UHFFFAOYSA-N 379.504 3.928 0 40 GHAB C[C@H]1CCc2sc(C(=O)Nc3ccc(F)c(NS(C)(=O)=O)c3)cc2C1 12788471 CPOYVVZMPNNXSL-JTQLQIEISA-N 382.482 3.636 0 40 GHAB O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1CCCN1c1ncnc2ccccc12 11248316 GEYBDVRFGJLQQY-KRWDZBQOSA-N 384.386 3.839 0 40 GHAB COc1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)ccc1C 12752720 RCZXLEZSWVDBJS-UHFFFAOYSA-N 395.455 3.510 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(SC)c2)ccc1OC 408699755 ZBOMQWGCHSTHET-UHFFFAOYSA-N 380.491 3.566 0 40 GHAB C[C@@H]1C[C@@H](Sc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)C(=O)O1 8191035 MNUMFQDQPZNASF-CXAGYDPISA-N 383.448 3.793 0 40 GHAB O=C(CCN1CCSC1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 12848460 AGFYEXUSFFEIAF-QGDMRXHLSA-N 392.524 3.959 0 40 GHAB CCCCC(=O)C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 3624079 FMPRCJBJHAPZFS-UHFFFAOYSA-N 380.469 3.727 0 40 GHAB CC(C)n1ncc2cc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cnc21 13019274 QXIHFJBQKOZZNJ-LJQANCHMSA-N 380.448 3.822 0 40 GHAB O=C(CCCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1)c1cccs1 13001840 DNASMPDLEDWIBF-UHFFFAOYSA-N 398.528 3.656 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 8245910 XLWNCWLGDDLECC-CYBMUJFWSA-N 378.806 3.648 0 40 GHAB Clc1ccc(-c2nnc3n2N=C(c2ccc4c(c2)OCCO4)CS3)cc1 8329181 AFSHUZIGVHNFDR-UHFFFAOYSA-N 384.848 3.728 0 40 GHAB C[C@H](NC(=O)CSc1nnnn1C1CCCC1)c1ccc2ccccc2c1 8389098 AWLBEWVNRQSXQI-AWEZNQCLSA-N 381.505 3.911 0 40 GHAB COc1ccccc1N(Cc1cn2ccccc2n1)S(=O)(=O)c1cccs1 8343271 DLGSMHPCFPUPQK-UHFFFAOYSA-N 399.497 3.800 0 40 GHAB CCc1ccccc1N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@@]2(C)C1=O 4073340 XEEQEJCETBILJZ-QHCPKHFHSA-N 389.455 3.979 0 40 GHAB biogenic O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 13685355 RMSGFRNHLVHXKA-GOSISDBHSA-N 395.890 3.990 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)[C@@H](O)c1ccc(F)cc1 49625229 CSXCFLIOJGWGKJ-SFTDATJTSA-N 389.430 3.836 0 40 GHAB COc1ccc(C2=Nn3c(nnc3-c3ccccc3Cl)SC2)cc1OC 5025205 VFFSGFQGWMACSU-UHFFFAOYSA-N 386.864 3.974 0 40 GHAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccccn2)c1 17167806 YREACWGQEJUNBM-UHFFFAOYSA-N 398.466 3.932 0 40 GHAB CCCCNC(=O)Cn1cc(-c2ccccc2)c2ncn(CCCC)c(=O)c21 65113493 KJCJUPGFBIYXOM-UHFFFAOYSA-N 380.492 3.581 0 40 GHAB COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OC(F)F 39978271 WPORPAGSLDJPDA-UHFFFAOYSA-N 378.419 3.627 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c1C 13944820 AVSRXWHASAKNDK-KRWDZBQOSA-N 393.462 3.954 0 40 GHAB O=C(COC(=O)c1cccc(Br)c1)NCc1ccc(Cl)cc1 6383698 ZBAHSRRJGYSVTQ-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB C[C@H]1c2cc3c(cc2CCN1S(=O)(=O)c1ccc(Cl)cc1)OCCCO3 5355106 KZZYFNKEVCVTIW-ZDUSSCGKSA-N 393.892 3.809 0 40 GHAB CCOC(=O)c1sc(NC(=O)CCCOc2ccc(C(C)=O)cc2)nc1C 6649841 GNVOABXINZRVOR-UHFFFAOYSA-N 390.461 3.629 0 40 GHAB COc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CCN(C(C)=O)CC1 4994722 DCDQQWQSJXYXGA-HXUWFJFHSA-N 391.471 3.577 0 40 GHAB O=C(COC(=O)COc1ccc2ccccc2c1)N[C@H]1CCCc2ccccc21 4928670 AWWIDTXASCIBPP-QFIPXVFZSA-N 389.451 3.956 0 40 GHAB Cc1ccccc1CN(c1ccccc1)S(=O)(=O)c1ccc2nnc(C)n2c1 67245780 WMODFGPBZWJQIX-UHFFFAOYSA-N 392.484 3.742 0 40 GHAB O=c1c2ccc(Cl)cc2nc(SC[C@H]2CCCO2)n1Cc1ccco1 7188117 KLAGFCVUFIBXBH-CQSZACIVSA-N 376.865 3.962 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)Nc3nnc(C)s3)s2)cc1OC 15606253 LIIKSRUUJRIZBQ-UHFFFAOYSA-N 376.463 3.548 0 40 GHAB Cc1cc(C)cc(CN2CCC3(CC2)CN(C)C(=O)c2cn(C(C)C)nc23)c1 306134592 NSUVXABAEGGVCY-UHFFFAOYSA-N 380.536 3.700 0 40 GHAB COc1cc(OC)c(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)cc1Cl 7609818 FSOFQHKCKOCSBP-ZDUSSCGKSA-N 388.851 3.657 0 40 GHAB Cc1cc(C)cc(-n2nnnc2SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 7714343 JJZPAVWVXWWRPK-FUHWJXTLSA-N 385.537 3.552 0 40 GHAB COc1ccc(CCC(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)cc1 9134517 GEWUKFUZIFOCOK-UHFFFAOYSA-N 389.499 3.833 0 40 GHAB O=C1C[C@H](c2ccccc2C(F)(F)F)c2c(nc(-c3ccccc3)[nH]c2=O)N1 9138232 HOCSAKZZSUDYQV-CYBMUJFWSA-N 385.345 3.930 0 40 GHAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(c1ccc(CCO)cc1)CO3 9304796 GLRHWUANNZTYHB-UHFFFAOYSA-N 385.847 3.955 0 40 GHAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 9582173 BIYSHLCFSMQJAB-OAHLLOKOSA-N 384.501 3.960 0 40 GHAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 71885563 ZWNISYVJLRYHNC-CYBMUJFWSA-N 377.366 3.780 0 40 GHAB COc1ccccc1C1(c2nnc([C@H]3COc4ccccc4O3)o2)CCOCC1 71889826 ISGARQUOUCOSLH-LJQANCHMSA-N 394.427 3.687 0 40 GHAB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NC[C@H]3COCCO3)c2C1 84169388 QYJPWVXNLMGQGO-HOTGVXAUSA-N 382.504 3.531 0 40 GHAB CN(CC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1)c1cnn(C)c1 72308511 JRKBYLBXKCAQEB-LJQANCHMSA-N 378.501 3.737 0 40 GHAB O=C(Nc1cccc2cccnc12)N1CCOC[C@H]1C[C@H](O)c1cccs1 79058459 HYHFERKSRRMIQE-WBVHZDCISA-N 383.473 3.653 0 40 GHAB CS(=O)(=O)c1ccc([C@H]2SCC(O)=Nc3ncn(-c4ccccc4)c32)cc1 95473101 SKHHCXPRNWVUKW-GOSISDBHSA-N 399.497 3.700 0 40 GHAB COCCn1ccc2ccc(C(=O)NCCn3ccc4c(OC)cccc43)cc21 95480873 XJILDDVDIFXVPH-UHFFFAOYSA-N 391.471 3.681 0 40 GHAB CC1=Nc2c(c(C)nn2-c2ccc(S(N)(=O)=O)cc2)[C@H](CC(C)C)S1 79494056 ZQVULZLXWBJMIC-HNNXBMFYSA-N 378.523 3.712 0 40 GHAB O=C(Nc1ccc(OCC2CC2)cc1)N1CCC(c2nnc3ccccn23)CC1 95959330 FPTUYEJVHCKAKD-UHFFFAOYSA-N 391.475 3.930 0 40 GHAB COCc1ccc(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)cc1OC 95966401 RFRQDASZZMITGT-OAHLLOKOSA-N 384.259 3.612 0 40 GHAB CNC(=O)c1cc(C)ccc1NC(=O)[C@@H](C)c1ccc(Br)cc1 95980641 XGGRDNUABKGALP-LBPRGKRZSA-N 375.266 3.859 0 40 GHAB COc1ccc(-c2nnc(S[C@@H]3CCCCC3=O)n2C[C@H]2CCCO2)cc1 68735358 LXNYNEHXXIFULM-SJLPKXTDSA-N 387.505 3.737 0 40 GHAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(N2CCCC2=O)cc1 27917514 NWFPKBDRGQQMNQ-UHFFFAOYSA-N 391.471 3.692 0 40 GHAB O=C(Nc1cccc2ccccc12)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408975205 JDSPQAOBDUACPM-UHFFFAOYSA-N 394.390 3.683 0 40 GHAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OC 409236998 UJYJTQSYHUUHEC-LVLBFHFTSA-N 379.478 3.945 0 40 GHAB CCN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O 409074796 RRLOSZNSDKWSOY-SFQUDFHCSA-N 382.441 3.760 0 40 GHAB COc1ccc(-c2cccc([C@@H]3CCCN(CC(=O)N4CCCC4)C3)n2)cc1 72348770 AVACYFUFKZZGER-LJQANCHMSA-N 379.504 3.559 0 40 GHAB CC(=O)c1cccc(NC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)c1 35311969 DAUUVLBUDCOUFT-UHFFFAOYSA-N 379.460 3.624 0 40 GHAB O=C(CCn1cccn1)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 72390479 VWPRNKABHMYBCJ-UHFFFAOYSA-N 391.397 3.575 0 40 GHAB O[C@@H](COc1ccccc1Cl)CN1CCN(c2ccc(Cl)cc2)CC1 31666877 XBSMPCCGXFDTMK-QGZVFWFLSA-N 381.303 3.555 0 40 GHAB O=C(COc1ccc(F)cc1)N1CCC(c2cccc(Br)n2)CC1 72360861 GVOJZLXDIOFQRB-UHFFFAOYSA-N 393.256 3.768 0 40 GHAB C[C@H]1CN(CCNC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 32903662 YXLWCBXPBUWEQS-KMUUFKDPSA-N 390.833 3.597 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(C)c3ccc(N4CCC[C@H](O)C4)cc3C)cc2c1 35360849 MQXWDPGDPKNFRW-NRFANRHFSA-N 391.515 3.742 0 40 GHAB CC(C)C[C@@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccccc1 30755032 KTEXEFKIVLQLTQ-FXAWDEMLSA-N 388.533 3.745 0 40 GHAB CN(c1ccccc1)c1nc(NCCO)c2cnn(-c3ccc(Cl)cc3)c2n1 72238773 GBEGFWGBOIURPY-UHFFFAOYSA-N 394.866 3.641 0 40 GHAB NC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccnc3ccccc23)C1 72352552 IZYLCPYCVLQAKU-HNNXBMFYSA-N 388.496 3.933 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 223047822 LKEYMARKDVGURS-FQEVSTJZSA-N 382.504 3.544 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 223769116 MURDMNBGONMJCI-UHFFFAOYSA-N 389.502 3.588 0 40 GHAB CCCCc1ccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220477323 NFSNTMACYXEDMA-OAHLLOKOSA-N 392.496 3.962 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1 223778574 GBILAOBFDCPJIX-MRXNPFEDSA-N 388.895 3.662 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2I)cc1 225017367 WLYHQEHCUYRZDY-UHFFFAOYSA-N 394.212 3.810 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 225209125 IUOJAEVGVUOQAP-IRXDYDNUSA-N 386.467 3.537 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCN2CCC(C)CC2)c1 225436940 VJQHSCJZFWBFAN-UHFFFAOYSA-N 377.554 3.580 0 40 GHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 225496184 YCCAXZWIAXBCCZ-WOJBJXKFSA-N 392.484 3.594 0 40 GHAB CCOC(=O)c1cn(Cc2ccccn2)c2cc(C(F)(F)F)ccc2c1=O 199787836 NMRQIXPXSBVOEH-UHFFFAOYSA-N 376.334 3.640 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C 222886588 LCKFWLONRBUNMZ-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2ccccc2)cc1C(C)C 223898806 IEYITBYPBFXTAX-INIZCTEOSA-N 377.506 3.873 0 40 GHAB COc1ccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1 224694380 RYWDMABRCYCCBA-UHFFFAOYSA-N 398.569 3.572 0 40 GHAB COc1ccc2nc(C(F)(F)F)nc(N(C)C[C@H]3CCn4ccnc4C3)c2c1 585083378 ZFJIRRNQMBZBGF-LBPRGKRZSA-N 391.397 3.553 0 40 GHAB CC(C)(C)OC(=O)NCc1ccc(-c2nc3c4ccccc4ncn3n2)cc1 585152534 YKGDUVHZCXJFPB-UHFFFAOYSA-N 375.432 3.969 0 40 GHAB NC(=O)C[C@]1(COc2ccccc2)CCCN(C(=O)c2ccc(Cl)cc2)C1 257258277 KTCXDKWPDUQCBE-OAQYLSRUSA-N 386.879 3.517 0 40 GHAB CCn1cc(CN2CCO[C@@H](c3cccc(Nc4nc(C)cs4)n3)C2)c(C)n1 257268629 MMNALPYPGURIEI-GOSISDBHSA-N 398.536 3.688 0 40 GHAB C/C(=C\c1ccccc1)C(=O)NCc1nnc2ccc(-c3ccsc3)nn12 253473738 YACNVJNCBXRXOW-SDNWHVSQSA-N 375.457 3.573 0 40 GHAB Cc1cccc(-c2nc3sc(=Cc4ccc(C(C)(C)C)cc4)c(=O)n3n2)c1 254307099 KGHCJGMYJFQXMI-UHFFFAOYSA-N 375.497 3.972 0 40 GHAB C[C@H](CC(=O)Nc1cccc(-n2cc(C(=O)O)nn2)c1)c1c[nH]c2ccccc12 1604070041 BAIGOKUXWMTGFN-CYBMUJFWSA-N 389.415 3.579 0 40 GHAB Cc1noc(C)c1CN1C(=O)CC[C@]12CCCN(Cc1cccc(F)c1)CC2 585099859 KUFZRNWALZYMJF-QFIPXVFZSA-N 385.483 3.978 0 40 GHAB Fc1cccc(-c2cnc(Nc3cc(C[C@H]4CNCCOC4)ccn3)s2)c1 585263279 UWIAGEDQQWZFDD-HNNXBMFYSA-N 384.480 3.866 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCCCc2ccccc2)[C@@H]1c1ccc(OC)cc1 585168459 ALVSRSWJDMOWQD-GGAORHGYSA-N 394.515 3.744 0 40 GHAB Cc1ccc(OCc2nc(N3CCc4ccccc4C3)ncc2C(=O)O)cc1C 585265092 GQFGWTAJEMOYHA-UHFFFAOYSA-N 389.455 3.933 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(C2CC2)nn1C(C)(C)C 47777819 CKMDDCIFRBATRG-UHFFFAOYSA-N 377.492 3.973 0 40 GHAB Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 5438589 MLJCGHCLPCXEQU-UHFFFAOYSA-N 378.881 3.831 0 40 GHAB O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCC2 12330195 AKXALPNEXAIYSV-YADHBBJMSA-N 397.490 3.699 0 40 GHAB CCN(CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1 12602270 JVUNFDODRLULIW-JENIJYKNSA-N 390.597 3.582 0 40 GHAB biogenic,in-vitro CCc1cc(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)sc1C 12978939 JDSFKBFITRVDHV-UHFFFAOYSA-N 399.560 3.632 0 40 GHAB CCc1ccccc1NC(=S)N1CCC(NC(=O)c2ccc(OC)cc2)CC1 13544436 VWTZUBGNIIRIAN-UHFFFAOYSA-N 397.544 3.849 0 40 GHAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCSCc1ccccc1F 13671223 OJSILJUFAYBDPT-UHFFFAOYSA-N 394.471 3.989 0 40 GHAB COc1cc(CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc(OC)c1OC 18136005 CAGJQXQPPMSCAB-FQEVSTJZSA-N 375.440 3.908 0 40 GHAB Cc1cc(NC[C@H](O)c2cccc(O)c2)n2nc(-c3cccc(F)c3)cc2n1 19117251 UIOJYKCTHIPXHA-IBGZPJMESA-N 378.407 3.695 0 40 GHAB CC[C@@H](NC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)c1ccc(OC)cc1 19500497 XXLCKJLEOYKHBN-OAHLLOKOSA-N 397.500 3.602 0 40 GHAB CCc1nn(C)c(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCCN3C)c1C 19521032 DFFFWAFBEAALDX-KJXAQDMKSA-N 394.563 3.774 0 40 GHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CCC2)C1 19591380 OQXIAUMZZKGJNL-JOCHJYFZSA-N 382.529 3.722 0 40 GHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 6449906 VGOGIVUQEFTTIB-LICLKQGHSA-N 398.396 3.523 0 40 GHAB C[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1cccs1 17842080 HWMSXOKKULNXLL-CQSZACIVSA-N 375.453 3.938 0 40 GHAB C[C@@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1ccc(-n2cccn2)cc1 244947564 DMLKXCIJYBBYAB-HNNXBMFYSA-N 381.457 3.528 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(I)cc2F)cc1 408619221 ABWLYQYJTZYSCV-UHFFFAOYSA-N 385.176 3.756 0 40 GHAB O=C(NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Cl)cc1Cl 8981947 ARMCBTCAYQRCQQ-LLVKDONJSA-N 381.234 3.915 0 40 GHAB COc1cc(CN[C@@H]2CN3CCC2CC3)ccc1OCc1ccc(Cl)nc1 19932220 OGFMEUJIVRADJO-GOSISDBHSA-N 387.911 3.506 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1nnn(Cc2ccccc2)c1-c1ccncc1 206642571 DFIHUFLDAVTCMS-APWZRJJASA-N 375.476 3.697 0 40 GHAB CCCN1CCCc2cc(CCNC(=O)c3cccc(OC)c3OC)ccc21 35588070 SQIVOEQUTMDJDF-UHFFFAOYSA-N 382.504 3.839 0 40 GHAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1N1CCCc2ccccc21 9827999 QSNUSLFFNMZEKJ-UHFFFAOYSA-N 393.418 3.633 0 40 GHAB CC(C)n1ncc2cc(NC(=O)NCc3cnn(-c4ccccc4)c3)cnc21 40120842 KRNFHRULOJTZCH-UHFFFAOYSA-N 375.436 3.520 0 40 GHAB C[C@H](Cc1ccccc1Cl)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 40111990 HKGFKHINBYEKGB-CYBMUJFWSA-N 393.318 3.747 0 40 GHAB CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(Cl)s1 8315055 HBRUWZSMJOZQBS-UHFFFAOYSA-N 387.686 3.875 0 40 GHAB COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC(C)(C)C)c3n2)cc1 845028 OCNGOFVDOJFHLQ-UHFFFAOYSA-N 392.381 3.952 0 40 GHAB Cc1ccccc1OCc1nnc(S[C@@H]2CCc3ccccc3C2=O)n1C 933589 PQVXXSFQMFVBGX-GOSISDBHSA-N 379.485 3.992 0 40 GHAB Cc1cc(C)cc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccccn2)c1 1362771 SKNKVOBYICFCFV-UHFFFAOYSA-N 395.532 3.953 0 40 GHAB COc1ccc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)c2c1 3561673 VSKCKURUBKMZFU-UHFFFAOYSA-N 391.427 3.800 0 40 GHAB Cc1ccc/c(=N/S(=O)(=O)c2ccc(Br)c3ccccc23)[nH]1 41096190 WQMOHYVGHSAVHV-UHFFFAOYSA-N 377.263 3.528 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 6205053 PXKZCNXOTXMTGL-LLVKDONJSA-N 387.288 3.607 0 40 GHAB O=C(CSc1nncc2c1[nH]c1ccc(F)cc12)NCc1ccccc1F 32752928 GFDYHFHYBMRTOW-UHFFFAOYSA-N 384.411 3.798 0 40 GHAB Cc1nc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)ccc1Br 6626047 WORFDVHHTPPNLP-UHFFFAOYSA-N 398.713 3.862 0 40 GHAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 6949619 LRMOXHBXOCPQDP-SNVBAGLBSA-N 378.803 3.926 0 40 GHAB Cc1ccccc1OCCSc1nc2ccccc2n1CC(=O)NC1CC1 12062354 IXFAUQXHKLJXFP-UHFFFAOYSA-N 381.501 3.794 0 40 GHAB CCn1cc(CNC(=O)c2ccccc2COc2ccc(F)cc2F)c(C)n1 2787943 XHFLNSYTMGDJGM-UHFFFAOYSA-N 385.414 3.999 0 40 GHAB CCOc1ccc2c(c1)CN(C(=O)Nc1cccc(-c3n[nH]c(C)n3)c1)CC2 103293417 XEGNGLNMCWWYSV-UHFFFAOYSA-N 377.448 3.769 0 40 GHAB O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCN(c2ccccc2)CC1 26110889 GQZIVCJIJQKYKI-UHFFFAOYSA-N 385.316 3.645 0 40 GHAB Cc1cc2occ(CC(=O)Nc3nc(CN4CCOCC4)cs3)c2cc1C 42158033 MJOBXKCIOGHJTR-UHFFFAOYSA-N 385.489 3.520 0 40 GHAB NC(=O)c1cccc(C(=O)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 28492508 LDWXQVIJQCMGFW-UHFFFAOYSA-N 379.799 3.889 0 40 GHAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(CCc2ccccc2)CC1 22930230 RUPROVQJKZMOHV-INIZCTEOSA-N 389.902 3.666 0 40 GHAB CCN1CCC[C@@H]1Cn1c(C)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1N 12411944 QLLWJKFVKNKSOY-MRXNPFEDSA-N 395.956 3.658 0 40 GHAB COc1ccc([C@H](CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)NC(C)=O)cc1 23764775 VDCPXAIKWBSKSG-XCLFUZPHSA-N 390.430 3.760 0 40 GHAB Cc1c(C(=O)N2CCn3c2nc2ccccc23)cnn1-c1cccc(Cl)c1 24799470 QCFFZMPGZNDJRP-UHFFFAOYSA-N 377.835 3.844 0 40 GHAB O=C(Nc1ccn(-c2ccccc2)n1)c1cccc(I)c1 24981241 KZEPQYKJLGYRGT-UHFFFAOYSA-N 389.196 3.729 0 40 GHAB O=C(/C=C/c1c(Cl)nc2sccn12)N1CCN(c2ccc(F)cc2)CC1 3231151 FCTLAWDAVVACAH-AATRIKPKSA-N 390.871 3.550 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)c2ccc(Br)cc2)ccc1O 3220058 ZZKUODWHQHXPSZ-YCRREMRBSA-N 391.217 3.603 0 40 GHAB COc1ccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 25746850 NKLJQOLNXHOREU-UHFFFAOYSA-N 393.409 3.642 0 40 GHAB Cc1cc(NC2(c3nnnn3-c3ccccc3)C3CC4CC(C3)CC2C4)no1 35170792 IKGMTNJYGGUCEX-UHFFFAOYSA-N 376.464 3.722 0 40 GHAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1CCC(C(=O)c2ccccc2)CC1 25913391 SCTQYWCHVOXVON-QGZVFWFLSA-N 388.467 3.623 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)c1 20456301 YIVOSMZFJXCEIP-GFCCVEGCSA-N 377.462 3.840 0 40 GHAB O=C(CCc1ccccc1Cl)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 10457968 UUUSITZGWTZPAA-INIZCTEOSA-N 386.879 3.820 0 40 GHAB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccco1 20802644 HITBYCKAHSNTPF-RBUKOAKNSA-N 395.459 3.791 0 40 GHAB Cc1nn(C)c(C)c1CCC(=O)N1CCC(c2nc3ccccc3s2)CC1 10132833 WEMMCLSNMAGMGJ-UHFFFAOYSA-N 382.533 3.985 0 40 GHAB COCC(=O)N1CCCCC[C@@H]1C1CCN(c2nc3ccccc3s2)CC1 69737658 VITSBBMDXWSBGB-GOSISDBHSA-N 387.549 3.930 0 40 GHAB Cc1nc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)oc1C 58168588 QJTTVPGUNWFFOZ-UHFFFAOYSA-N 378.457 3.737 0 40 GHAB Cc1cccc(C(=O)N[C@@H](C(=O)Nc2ccc(N3CCCC3)cc2)C(C)C)c1 10429513 DJXQGCYKHJVEQZ-OAQYLSRUSA-N 379.504 3.988 0 40 GHAB CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 12781247 ABSHRVKCFMUVIA-UHFFFAOYSA-N 379.460 3.656 0 40 GHAB C[C@H](C(=O)N1CCCCCC1)S(=O)(=O)Cc1csc(-c2ccccc2)n1 45340945 MYMQBNZVWVTRQH-OAHLLOKOSA-N 392.546 3.516 0 40 GHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2C)cc1 12735127 SHFSXIFJBILPSO-GFCCVEGCSA-N 384.461 3.705 0 40 GHAB CC[C@H](C)OC(=O)c1c(N)n(CCCOC(C)C)c2nc3ccccc3nc12 2411292 NPGUBLUPVIFTEZ-AWEZNQCLSA-N 384.480 3.937 0 40 GHAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cc1 22255161 SIVBZHREJSPSBQ-UHFFFAOYSA-N 391.474 3.974 0 40 GHAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 3450078 LKQVSLMDEFPOHH-FQEVSTJZSA-N 386.835 3.518 0 40 GHAB COc1ccc(C(=O)COC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(OC)c1 3469153 HJNJPCFPILKHNF-UHFFFAOYSA-N 394.427 3.546 0 40 GHAB CC(=O)N1CCN(Cc2nc(-c3cc(Cl)sc3Cl)cs2)CC1 62581012 ZLAWREDVIINLPC-UHFFFAOYSA-N 376.334 3.843 0 40 GHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2CN(Cc3ccncc3)C[C@@H]21 306133151 MDPNJICQZZZHTG-ICSRJNTNSA-N 382.510 3.565 0 40 GHAB Clc1ccc(OCc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 13483493 QSKGHQIJSBWICO-UHFFFAOYSA-N 396.863 3.816 0 40 GHAB Cn1cc(C(=O)OCc2csc(-c3ccc(C(N)=O)cc3)n2)c2ccccc21 63944398 YVEMWALBDRIJCW-UHFFFAOYSA-N 391.452 3.758 0 40 GHAB CC(=O)Nc1cccc(NC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)c1 13692059 QIGYQQLSFHJJHO-HXUWFJFHSA-N 379.460 3.654 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(c1ccccc1)c1ccccc1 18100140 QFJKYXMACGKFOM-UHFFFAOYSA-N 383.451 3.714 0 40 GHAB COc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2F)N2CCCC2)cc1 18177761 ZSDWZRCFWCOPCV-LJQANCHMSA-N 375.419 3.932 0 40 GHAB CCCCCSc1nc2ccccc2n1Cn1nnc2ccccc2c1=O 6187070 CPBKMOVSPJWTOY-UHFFFAOYSA-N 379.489 3.929 0 40 GHAB C[C@@H]1CCc2c(sc3ncnc(OCC(=O)NCCc4ccc(F)cc4)c23)C1 6175699 BVIHDNGAOMEFSP-CYBMUJFWSA-N 399.491 3.693 0 40 GHAB O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 14051884 WNMAHQRHTYCREI-UHFFFAOYSA-N 380.879 3.688 0 40 GHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccc(F)cc1Br 14085291 GPCLHVDGILXWKS-UHFFFAOYSA-N 390.256 3.847 0 40 GHAB Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)N3CCc4ccccc43)n2n1 8704150 RRPLKCMJMORFHI-CYBMUJFWSA-N 389.484 3.656 0 40 GHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H](NC(N)=O)c1ccccc1 14383362 VBQAEHNUQNVXMR-MRXNPFEDSA-N 380.275 3.752 0 40 GHAB COc1cccc(C(=O)Oc2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)c1 18247093 MDQMIORZDNAUOH-KDURUIRLSA-N 379.412 3.594 0 40 GHAB Nn1c(SC[C@@H]2CC2(Cl)Cl)nnc1-c1ccc(OC(F)F)cc1 15355565 UBEGAJOOLBJZJL-QMMMGPOBSA-N 381.235 3.546 0 40 GHAB O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(C(=O)[C@H]1CCCO1)C2 67339243 JCDOPPKZSIKTEU-LJQANCHMSA-N 383.423 3.533 0 40 GHAB CCOc1cc2c(cc1CSc1nnnn1-c1ccccc1C)O[C@@H](C)C2 8923616 FNZGGOCRZTWCBT-AWEZNQCLSA-N 382.489 3.985 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1c(C)noc1C(C)C 8988578 ZZYUSOOWEULOQK-UHFFFAOYSA-N 394.269 3.546 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 16019584 CYIMXGFROLTRJJ-QGZVFWFLSA-N 387.439 3.790 0 40 GHAB COc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 7735304 JGRNIJUPKDWQFR-UHFFFAOYSA-N 390.365 3.866 0 40 GHAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 7878773 QTAHCXZXCWWKAU-LBPRGKRZSA-N 387.896 3.540 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N(C)Cc2ccc(C)cc2C)cc1 7920931 KBIFJBLLHHEXJD-LJQANCHMSA-N 381.520 3.529 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCc3ccccc32)cc1 7989104 WRSHIXYDPRYDBA-UHFFFAOYSA-N 381.435 3.897 0 40 GHAB O=C(CNC(=O)c1ccccc1F)NCCC(c1ccccc1)c1ccccc1 8186153 VLTXISUOMPUMPG-UHFFFAOYSA-N 390.458 3.894 0 40 GHAB O=C1c2ccccc2N[C@H](c2cc(Cl)c3c(c2)OCO3)N1C[C@@H]1CCCO1 9368155 DDQLXWCRPQFJKI-DJJJIMSYSA-N 386.835 3.814 0 40 GHAB COc1ccc(OC)c2c1CN(C(=O)NCC1CCCCCCC1)C[C@H]2O 83937359 BSFAHBCGPWKTEP-QGZVFWFLSA-N 376.497 3.623 0 40 GHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCC(=O)Nc1cccc(Cl)c1 96743029 OPTVQJUVXQHOFY-CQSZACIVSA-N 394.924 3.765 0 40 GHAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C[C@@H](C(=O)O)CC2=O)c1 9592127 JXUFRXLBBMRDTA-KRWDZBQOSA-N 380.444 3.501 0 40 GHAB Cc1cc(Br)ccc1CNC(=O)C(=O)Nc1cnc2ccccc2c1 71898375 XSQNRYYMWDEGNK-UHFFFAOYSA-N 398.260 3.561 0 40 GHAB Cc1c(C(=O)Nc2ccc(F)cc2F)nnn1-c1ccc(OC(F)F)cc1 19911380 WQFOOEOLSURBML-UHFFFAOYSA-N 380.301 3.708 0 40 GHAB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)o2)c(C)n1-c1nccs1 9691253 JNPHHNLJHRRMIP-UHFFFAOYSA-N 397.485 3.971 0 40 GHAB Cc1nc([C@H](C)N2CCc3nn(C)c(=O)cc3C2)oc1-c1ccc(Cl)cc1 84061265 XMESHZRUMFAVCE-ZDUSSCGKSA-N 384.867 3.516 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1OC 20450370 DLMJBCVDMVSPAW-LBPRGKRZSA-N 377.462 3.840 0 40 GHAB O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1[nH]nc2c1CCCC2 97712284 VQZGFFXKZXVJTR-CYBMUJFWSA-N 375.856 3.752 0 40 GHAB CC(C)(Oc1ccc2c(c1)CC/C(=C\c1ccc(C(=O)O)cc1)C2=O)C(=O)O 78726009 JUHRFWPGWHSLBT-LFIBNONCSA-N 380.396 3.839 0 40 GHAB COC(=O)[C@]1(NCc2nc3ccccc3s2)CCCN(Cc2ccccc2)C1 95454700 ATASUDSGLCGHQS-QFIPXVFZSA-N 395.528 3.594 0 40 GHAB Cc1nn(C)c(Cl)c1-c1nc(C2(NC(=O)OC(C)(C)C)CCCC2)no1 95454539 OOWNPGPONHIONL-UHFFFAOYSA-N 381.864 3.726 0 40 GHAB CCc1nc(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)nn1-c1ccccc1Cl 95449020 MUTPXOPMMYCQTL-XJKSGUPXSA-N 390.915 3.807 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCCCCOc2ccc(F)cc2)C1 79020601 SUHLOWWAIOQACE-OAQYLSRUSA-N 394.487 3.748 0 40 GHAB COc1ccc(C(=O)Nc2c[nH]nc2[C@H]2CCCN(C(=O)CCC3CC3)C2)cc1 95998768 LCWCCLCRMVHMJN-KRWDZBQOSA-N 396.491 3.567 0 40 GHAB CN1CCc2nc(NC(=O)COc3ccc4oc5c(c4c3)CCCC5)sc2C1 23881012 XQLGRXLMTHIXDP-UHFFFAOYSA-N 397.500 3.774 0 40 GHAB CCn1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(=O)c2ccccc21 22234517 AKXNQWXHOKWNAE-UHFFFAOYSA-N 389.499 3.601 0 40 GHAB COc1cc(C(=O)NCC2(c3ccccc3)CCOCC2)ccc1OC(C)C 26962281 YMRQLXSPBBIJDI-UHFFFAOYSA-N 383.488 3.961 0 40 GHAB O=C(Cc1ccccc1)N1CCO[C@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306131433 KECHJWZRUAARQA-QFIPXVFZSA-N 398.466 3.539 0 40 GHAB CCCCOc1ccc(NC(=O)C(=O)NCc2ccccc2OC(C)C)cc1 408707736 DCVXYWIFSFIPIF-UHFFFAOYSA-N 384.476 3.908 0 40 GHAB COc1ccc2[nH]c(C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)c(C)c2c1 524734458 GYJRFYCPOSRCDR-GOSISDBHSA-N 380.444 3.919 0 40 GHAB COc1cccc(Oc2nccnc2C2CCN(C(=O)c3ccccn3)CC2)c1 72362262 AZBGJKRHPZKUII-UHFFFAOYSA-N 390.443 3.692 0 40 GHAB COC(=O)c1ccc(CSc2nnc(COc3ccc(Cl)cc3)o2)o1 35767480 OAJGFPBIWJMZHF-UHFFFAOYSA-N 380.809 3.974 0 40 GHAB CCOc1ccccc1C(=O)N1[C@@H](C(=O)O)COC12CCC(C(C)(C)C)CC2 71980551 FAHFHMBZYKURDA-WIVVBHTDSA-N 389.492 3.944 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC2)c1 32975582 HXIPUJNHXURREV-UHFFFAOYSA-N 392.908 3.791 0 40 GHAB Clc1ccccc1Cc1nnc2sc(-c3[nH]ncc3Br)nn12 71285081 JWRSIYXTNBVXIK-UHFFFAOYSA-N 395.673 3.583 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1Cl 48278999 RYYPVIFCBDPMED-KGLIPLIRSA-N 395.908 3.697 0 40 GHAB COc1ccccc1Cc1cccc(C2CCN(Cc3cnn(C)c3)CC2)n1 72349982 PTLQHIZPFGFVGU-UHFFFAOYSA-N 376.504 3.794 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 222864452 PHNKWDOCGFCKSB-GOSISDBHSA-N 396.531 3.915 0 40 GHAB O=C1CCCN1c1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1 225865331 ZJVHOYJKZFBVHO-UHFFFAOYSA-N 380.517 3.964 0 40 GHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 223120724 WIBOWFSBGIRXOJ-OAHLLOKOSA-N 398.528 3.588 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 223011149 MSWRXVPXBZTZRM-FQEVSTJZSA-N 382.504 3.544 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 224999493 NIAWDJFUVAETQM-LJQANCHMSA-N 396.531 3.798 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 223034820 LYLCVNYTUJSCPO-LJQANCHMSA-N 396.531 3.880 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 224310454 KGBPMJACNASJAC-LJQANCHMSA-N 390.886 3.965 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 225024446 KAEJONWCMWGJQX-SJORKVTESA-N 383.488 3.925 0 40 GHAB CC1=C/C(=C2/C(=O)NC(=O)N=C2O)C=C(C(F)(F)F)N1c1ccc(C)cc1 96346813 CWEYQXYGHWFTPH-UHFFFAOYSA-N 377.322 3.668 0 40 GHAB CC(F)(F)C(=O)N[C@@H]1[C@H]2CCCN(c3nc4c(F)cccc4o3)[C@@H]2C1(C)C 585137760 RYNKGQWOUZCPOO-KMUNFCNLSA-N 381.398 3.732 0 40 GHAB COc1cc(CN2CC[C@H](Nc3nc(C)cc(C(F)(F)F)n3)C2)cc(OC)c1 543435817 ZYYWBMHBYZTTFF-AWEZNQCLSA-N 396.413 3.507 0 40 GHAB O=C(NCc1cccnc1O)N1CCC(CCc2ccc(F)cc2F)CC1 624917952 IEGGMARRTIZOST-UHFFFAOYSA-N 375.419 3.620 0 40 GHAB COc1cc(NC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)ccc1C(F)(F)F 669386596 HIMVVUVFQWYSRC-CQSZACIVSA-N 399.413 3.723 0 40 GHAB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccc2oc(C)nc2c1 585100209 HKHQKCTXQZWIJF-IFXJQAMLSA-N 383.452 3.642 0 40 GHAB COc1ccc(OC)c2c1CN(Cc1c(Cl)ccc3cccnc13)C[C@@H]2O 48367928 HOXSCIYFTZHONB-KRWDZBQOSA-N 384.863 3.955 0 40 GHAB CCOc1cc2c(cc1CN(Cc1ccc3c(c1)OCO3)C[C@H](C)O)CCC2 12185866 YRDZHTPYZYPQOQ-INIZCTEOSA-N 383.488 3.686 0 40 GHAB COc1ccc(-c2cc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)n(C)n2)cc1 12200920 VREUGROLSVHQGV-GOSISDBHSA-N 383.835 3.691 0 40 GHAB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@@H]1c1ccc(C(=O)O)cc1 12551686 MMYRPSSDZHHHON-GOSISDBHSA-N 396.468 3.576 0 40 GHAB CCNC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C(C)C)ccc1OC 13681106 BIFYPVYZXAOSHE-UHFFFAOYSA-N 390.505 3.678 0 40 GHAB Clc1ccccc1-n1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21 15880883 SGYFBFCGGRVRMP-UHFFFAOYSA-N 390.878 3.796 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)CC(C)C)C1 19446341 NCZVQRQWPZRFRX-DEOSSOPVSA-N 393.531 3.692 0 40 GHAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2nn(C)cc2-c2ccncc2)on1 19452912 ZBPIIORZTGGTBZ-GOSISDBHSA-N 379.464 3.961 0 40 GHAB CNc1nc(C)c(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)s1 19560902 GVJDOMRGEIMWCZ-MRXNPFEDSA-N 375.494 3.782 0 40 GHAB CCN(C(C)=O)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C2(CCCCC2)C1 19695923 SNMSGJHHCHJERK-IBGZPJMESA-N 381.520 3.883 0 40 GHAB Cc1cccn2c(=O)c(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)cnc12 19714713 LKHYUMFGEFQBIY-QGZVFWFLSA-N 390.487 3.630 0 40 GHAB Cc1cc(C)nc(N2CCC(CC(=O)Nc3ccc4nc(C)[nH]c4c3)CC2)n1 19748633 DASNEXWOFCGTSA-UHFFFAOYSA-N 378.480 3.523 0 40 GHAB CC(C)(C)c1cn2nc(C(=O)Nc3nc(-c4ccccn4)cs3)ccc2n1 1889005204 QEIUILSLJICPOO-UHFFFAOYSA-N 378.461 3.798 0 40 GHAB O=C(NC1CCN(C(=O)c2ccco2)CC1)N1CCC(Cc2ccccc2)CC1 32802787 KFAAXGDPXPTHJN-UHFFFAOYSA-N 395.503 3.549 0 40 GHAB CN1CCN(Cc2cccc(F)c2F)C[C@@H](Cc2ccnc3cccnc23)C1 2037838605 QSWIMHFISJTZDA-INIZCTEOSA-N 382.458 3.514 0 40 GHAB O=C(Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1ccsc1)C1(F)CC1 1565545780 MCGUYUKBFVIBDN-UHFFFAOYSA-N 386.448 3.915 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)c3ccco3)s2)c1 4077930 NWKYSTMPNWNYJH-UHFFFAOYSA-N 388.474 3.731 0 40 GHAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)Oc2ccccc2)c2ccco2)cc1 4519030 YIURAQCCZOEEJG-IBGZPJMESA-N 385.441 3.892 0 40 GHAB O=C(NCCCc1ccc(F)cc1)c1ccccc1I 13669734 LJWGLYDNXSJDMP-UHFFFAOYSA-N 383.204 3.793 0 40 GHAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(-n4cccn4)nc3)cs2)cc1 29198872 DNBAFSYTKQLTNG-UHFFFAOYSA-N 391.456 3.864 0 40 GHAB O=C(NCCCN1CCCCCC1=O)c1c[nH]cc1-c1ccc(Cl)s1 50024525 DJUVQVJACPQIOM-UHFFFAOYSA-N 379.913 3.919 0 40 GHAB CNc1snc(C)c1C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 40154841 NBHIUELVAZGIFU-UHFFFAOYSA-N 379.432 3.507 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)Nc3cc(OC)c(OC)cc3C)CC2=O)cc1 8393321 WKPVYPSPSMYFBX-INIZCTEOSA-N 382.460 3.566 0 40 GHAB COC(=O)CCNC(=O)c1cc(-c2cccnc2)nc2ccc(C(C)C)cc12 32092274 RGGVHGSXPTVHOC-UHFFFAOYSA-N 377.444 3.713 0 40 GHAB CC(C)c1nc2ccccc2c2nnc(SCC(=O)NC3CCCCC3)n12 1327748 KUWHRXLICKCZOV-UHFFFAOYSA-N 383.521 3.942 0 40 GHAB CC1(C)C[C@H](n2c(=O)[nH]c3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1 20723656 IFXKSYARHRZMFX-MRXNPFEDSA-N 380.488 3.702 0 40 GHAB O=C1Nc2cc(F)ccc2[C@@]12CC(O)=Nc1c2cnn1-c1ccccc1Cl 20744376 ZIUIMHLREMXODX-LJQANCHMSA-N 382.782 3.895 0 40 GHAB CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H]2C[C@@](C)(N1)Oc1ccccc12 101623550 ZQVPPHHDCGMHHF-ZHRRBRCNSA-N 379.412 3.618 0 40 GHAB CC(=O)c1cccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 6087111 BHELJOVEMIOXKA-UHFFFAOYSA-N 390.226 3.545 0 40 GHAB CCCN1C(=O)S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 6654759 FZTHXXBLHDJDKA-UXBLZVDNSA-N 387.211 3.509 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCCCC1 7872237 YJWCMTFMGXKWRD-UHFFFAOYSA-N 394.443 3.700 0 40 GHAB CC(C)[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccc(F)cc1 32889658 JXWQXMJYWAVLRE-QFIPXVFZSA-N 399.510 3.854 0 40 GHAB CC[C@H]1c2ccsc2CCN1C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 32820864 XZJHVEVRRWUSFT-SFHVURJKSA-N 385.489 3.815 0 40 GHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3c(OC)cccc3OC)cc21 8959442 LRIYJAZCLLKCQI-UHFFFAOYSA-N 398.459 3.728 0 40 GHAB CCc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccc4c(c3)OCO4)sc2n1 32903126 CBNPLODYYXPQDL-UHFFFAOYSA-N 383.473 3.871 0 40 GHAB CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc(=O)[nH]c2ccccc12 32908662 MIAMCYGBVWAOPK-UHFFFAOYSA-N 376.334 3.699 0 40 GHAB Cc1noc(C)c1CN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccccc1 22135182 ABMFWMOZAJXGIK-HXUWFJFHSA-N 376.412 3.606 0 40 GHAB O=C(NCc1cnn(Cc2ccccc2)c1)c1csc(Br)c1 47186456 KYEYQBKQRGPVEU-UHFFFAOYSA-N 376.279 3.685 0 40 GHAB Cc1ccnc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C)c1 28235782 NMMWRMAVJKQYEX-UHFFFAOYSA-N 391.191 3.705 0 40 GHAB COc1ccccc1[C@@H]1CC(=O)Nc2c(C(=O)O)cn(-c3ccccc3F)c21 61720547 QDZPCPDKGKVJRY-ZDUSSCGKSA-N 380.375 3.797 0 40 GHAB COc1ccc(OC)c(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)c1 54254197 SMXYPJQHZWFHJO-RMKNXTFCSA-N 397.544 3.732 0 40 GHAB COc1ccc(N(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C(C)=O)cc1 990327 GMMIPOGURXKMRS-UHFFFAOYSA-N 393.226 3.609 0 40 GHAB Cc1ccc(-c2nc(CN(C)Cc3nc4ccccc4c(=O)[nH]3)cs2)cc1 23873077 YLIOMVWSTKBBHR-UHFFFAOYSA-N 376.485 3.987 0 40 GHAB CCOCc1ccc2oc(-c3ccc(N4CCOCC4)cc3)c(O)c(=O)c2c1 103783697 WWNMHUKLDDHKNP-UHFFFAOYSA-N 381.428 3.539 0 40 GHAB Cc1c(Cl)c(-c2ccc(NS(C)(=O)=O)cc2)nc2cc3c(cc12)OCO3 24513420 OYHDPGDQNABQTK-UHFFFAOYSA-N 390.848 3.964 0 40 GHAB CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2nccs2)cc1 43160856 UTHKXBQNLVHYLI-UHFFFAOYSA-N 385.493 3.863 0 40 GHAB C[C@H]1CN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C[C@H](C)O1 12581176 ZHNBSYIYHSAIRM-HOTGVXAUSA-N 381.501 3.876 0 40 GHAB Cc1nc(SCC(=O)NCc2cccs2)c2c3c(sc2n1)CCC3 3245941 FJIMBPQOEVEQBB-UHFFFAOYSA-N 375.544 3.958 0 40 GHAB COc1ccccc1C(=O)NC[C@H]1CC[C@H]([C@H](NC(C)=O)c2ccccn2)CC1 100750040 VHAYLWBQWGNZCD-SVMVAKDDSA-N 395.503 3.504 0 40 GHAB CCCCOC(=O)[C@@H](C)n1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 1785021 TXTGKXFMRSDIMB-OLZOCXBDSA-N 391.537 3.908 0 40 GHAB O=C(NC1CCCCCCC1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20459188 HXYIPQGJZHEXIO-UHFFFAOYSA-N 392.565 3.845 0 40 GHAB COc1ccc(OC)c(NC(=O)COC(=O)CSc2ccc(Cl)cc2)c1 3378923 NFCDYVXOJBXQAK-UHFFFAOYSA-N 395.864 3.631 0 40 GHAB Cc1cccc(NC(=O)c2sc3ncn(C[C@H]4CCCO4)c(=O)c3c2C)c1 35673366 DJMXBIGXAVHWNX-OAHLLOKOSA-N 383.473 3.506 0 40 GHAB CCOc1nnc(CSc2nnc(-c3ccc(OC)cc3)n2CC)s1 58209835 ZMGCWHPWLOMMHL-UHFFFAOYSA-N 377.495 3.516 0 40 GHAB Cc1nonc1COc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 27794490 JTSQNRGUOBGSTE-UHFFFAOYSA-N 384.392 3.958 0 40 GHAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc2c(c1)nc1n2CCCCC1 10543204 VENJFBMKPDWOJL-UHFFFAOYSA-N 396.516 3.973 0 40 GHAB O=C(CCc1ccsc1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 48333572 GZAGEUYSXKTTKR-UHFFFAOYSA-N 397.327 3.972 0 40 GHAB COc1ccc2cc(CNC(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)ccc2c1 45379078 ZSBLSUHMNMOMSX-HNNXBMFYSA-N 395.425 3.532 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 48326289 RBAPPXIFMHNIBA-INIZCTEOSA-N 378.476 3.984 0 40 GHAB CC(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(Br)cc2)c1 12864640 XJXHWEYASAPXFT-GFCCVEGCSA-N 375.266 3.941 0 40 GHAB Cc1cccc(OCCC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)c1 3457356 HNXIAAQNGDKXFH-UHFFFAOYSA-N 394.452 3.730 0 40 GHAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc21 12913367 PTLMSLMKYXHAET-UHFFFAOYSA-N 399.299 3.958 0 40 GHAB O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc(Cl)cc1Cl 13636779 AVWWFNQCHAPCCN-KRWDZBQOSA-N 393.270 3.750 0 40 GHAB COCCN(Cc1cc(=O)[nH]c2ccccc12)C(=S)Nc1cccc(F)c1 13734431 MFCFOYZJSWZLHT-UHFFFAOYSA-N 385.464 3.513 0 40 GHAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1Cl)C2=O 39570365 ZISGINIIHHCHDT-UHFFFAOYSA-N 391.899 3.805 0 40 GHAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)c1ccc(Br)cc1 6111370 AYDLPUPSPBIYRG-UHFFFAOYSA-N 389.274 3.592 0 40 GHAB CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)c4cccs4)c(=O)c23)C1 5183071 DVCLFJBEZCZBSM-NSHDSACASA-N 387.530 3.948 0 40 GHAB COc1cccc(CNC(=O)COC(=O)c2ccccc2-c2ccccc2)c1 5205590 VSSXJIKZWXLHBS-UHFFFAOYSA-N 375.424 3.835 0 40 GHAB O=C(CCCn1nnc2ccccc2c1=O)Nc1ccc(Cl)c(Cl)c1 5205343 FKJXLURAIUFLBM-UHFFFAOYSA-N 377.231 3.517 0 40 GHAB CCn1c(C)nnc1SCC(=O)Nc1c(C)cc(Br)cc1C 13945010 PUXYUKVJZCZVCE-UHFFFAOYSA-N 383.315 3.717 0 40 GHAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccc[nH]1 4494138 RBSPDKYKVHPPMC-HNNXBMFYSA-N 386.452 3.566 0 40 GHAB CC(=O)c1ccc(OCC(=O)Nc2cccc(I)c2)cc1 5443497 WKLVEXHMJMKGMC-UHFFFAOYSA-N 395.196 3.511 0 40 GHAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1n[nH]c(=O)c2ccccc12 6652415 XXKZGRQKAPFNSY-UHFFFAOYSA-N 381.395 3.719 0 40 GHAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)NC12CC3CC(CC(C3)C1)C2 6643301 MHAUYUJLGDYBPK-UHFFFAOYSA-N 383.275 3.630 0 40 GHAB CCCCCCC(CC(=O)NCc1cccnc1)CC(=O)NCc1cccnc1 4936077 RPTMEVMCXKUZJD-UHFFFAOYSA-N 396.535 3.776 0 40 GHAB COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccccc3OC)cs2)cc1 15832688 JEMNVOZRIDSPAP-CQSZACIVSA-N 398.484 3.911 0 40 GHAB Cc1nnc(SCC(=O)N[C@H](c2ccccc2)c2cccs2)n1C1CC1 7533807 IZSMNKHBGZPHJQ-GOSISDBHSA-N 384.530 3.981 0 40 GHAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ncc(Cl)cc1Cl 7577508 KMGKITYADPPEOQ-LURJTMIESA-N 390.321 3.934 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2coc3ccccc3c2=O)C1=O)c1ccccc1 16476568 RBWQPQDCBWRGNP-ZDLGFXPLSA-N 391.404 3.712 0 40 GHAB CCCN1C(=O)N/C(=C/c2cc(OCC)c(OCC)cc2Br)C1=O 409252482 SCEXOBSJRDPYQD-MDWZMJQESA-N 397.269 3.549 0 40 GHAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccc(OCC(N)=O)cc3C)sc2n1 84114800 QPKPCHVMVPGLGI-UHFFFAOYSA-N 383.473 3.646 0 40 GHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H](c1ccccc1)N1CCOCC1 72309015 KISWFYJWWUVPLN-LJQANCHMSA-N 397.475 3.961 0 40 GHAB O=C(Nc1cccc2ccccc12)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 408976720 SNDYCMCQGLANDH-UHFFFAOYSA-N 394.390 3.683 0 40 GHAB COc1cc(C(=O)Nc2cc(CN(C)C)ccn2)ccc1OCc1ccccc1 95963633 UQQMZUFTMRGXNA-UHFFFAOYSA-N 391.471 3.983 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(F)cn3)c2)c1 95947547 OJPUDFGYIIQRSK-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB CCOc1c(Cl)cc(C(=O)NCc2ccccc2CN(C)C)cc1OC 9916998 SPUZJFAHFYIPLZ-UHFFFAOYSA-N 376.884 3.739 0 40 GHAB O=C(NCc1ccccc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 22606397 KZYYACGCJQAWOX-UHFFFAOYSA-N 398.557 3.899 0 40 GHAB COc1ccc(Cc2noc(-c3noc4c3CCCC4)n2)c(Cl)c1OC 544367768 MWYJAKQESDBMMK-UHFFFAOYSA-N 375.812 3.865 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)C[C@H]3CC(C)(C)OC3=O)[C@H]3CCCC[C@H]32)cc1 60016596 UVODLVCEAXGFHQ-YLDYLXSOSA-N 385.504 3.815 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)N2CCC[C@H](C)C2)cc1 67245613 ARPOLUSYCBDJGU-HNNXBMFYSA-N 392.546 3.754 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccc(Cl)c3)oc2c1 32127025 ZUYCLROVNUGBQC-UHFFFAOYSA-N 388.836 3.566 0 40 GHAB Cc1cccc(CN2CCC3(CC2)NC(=O)c2sc(-c4ccccc4)nc23)n1 306141456 VWTNDRBLUPSTIA-UHFFFAOYSA-N 390.512 3.748 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)NCCCc3ccccc3)CC2=O)cc1 408706557 BMAPHELXDDYUFW-LJQANCHMSA-N 380.488 3.577 0 40 GHAB COc1cc2c(cc1OC)[C@H](NC(=O)c1cccc(Nc3ncccn3)c1)CC2 524734081 UIYZYWUFJXFMBO-GOSISDBHSA-N 390.443 3.655 0 40 GHAB COc1ccc(-c2cc(C(F)F)nc(NCc3cnn(C)c3C)n2)cc1OC 36614259 YUBFEZQUUWAIKV-UHFFFAOYSA-N 389.406 3.752 0 40 GHAB COc1ccc(NC(=O)CN2CCC(COCc3ccccc3)CC2)c(OC)c1 70655718 QRQFCSHGCJPXMQ-UHFFFAOYSA-N 398.503 3.571 0 40 GHAB CC[C@H]1c2ccsc2CCN1C[C@H](O)COc1ccc(C(C)=O)cc1OC 34889306 WKIHARWFHLFMAR-WMZOPIPTSA-N 389.517 3.708 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 71280886 IXYSNJPFISXRPY-UWVAXJGDSA-N 384.520 3.633 0 40 GHAB COC(=O)CN(Cc1ccccc1)Cn1nc(-c2ccc(OC)cc2)oc1=S 40158169 SMRUZEASIJWPAM-UHFFFAOYSA-N 399.472 3.514 0 40 GHAB CCOC(=O)c1ccccc1Nc1cc(N)nc(-c2ccc(OC)c(OC)c2)n1 49468205 WFYWBYVPCXCESQ-UHFFFAOYSA-N 394.431 3.663 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 223832323 CCDYAIXVGKFCBI-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB CCCC[Sn]1(CCCC)OC[C@H](CN2CCCCC2)O1 195998287 HVGIUPJHENJJGG-CZDIJEQGSA-N 390.156 3.930 0 40 GHAB CCCO[C@@](C)(C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1)C1CC1 225671411 JIIDJEFQXMXWQL-JOCHJYFZSA-N 388.508 3.612 0 40 GHAB Nc1nnc(Nc2nc(/C=C/c3ccccc3)nc(-c3ccccc3O)n2)s1 40488320 UDQGEJPUOCZBKG-ZHACJKMWSA-N 389.444 3.592 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 224213467 UGYQOFOSLLYYPQ-OAQYLSRUSA-N 396.531 3.934 0 40 GHAB Cc1nc2ccccn2c1C(=O)NC[C@@](C)(O)c1ccc(-c2ccccc2)cc1 77102105 XRLMWUHIGLZHFY-XMMPIXPASA-N 385.467 3.947 0 40 GHAB COc1cccc(NC(=O)CN2CCC(COCc3ccc(F)cc3)CC2)c1 77191532 YQFOUNPEFKOQHL-UHFFFAOYSA-N 386.467 3.702 0 40 GHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NCCCOC 222989516 FTEAXWAOMNQKPH-OAQYLSRUSA-N 398.503 3.866 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H](CC)N(c1cccc(C)c1)S(C)(=O)=O 220495989 FNHHLXDFVUPEDE-GOSISDBHSA-N 390.505 3.577 0 40 GHAB Cc1ccc2nc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4N=C3O)sc2c1 44892814 USJAZCNEQMIBIM-HNNXBMFYSA-N 394.456 3.724 0 40 GHAB O=C(CSCc1c(F)cccc1Cl)NC[C@H]1COc2ccccc2O1 225238759 CFGSRVXWYSPYGF-LBPRGKRZSA-N 381.856 3.669 0 40 GHAB COc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OC 149285852 FUIMEGWHRMNNQR-AWEZNQCLSA-N 377.868 3.874 0 40 GHAB Cc1ccccc1OCC(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220908523 QDTXJILZPIHIOM-MRXNPFEDSA-N 397.500 3.967 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)N(C)Cc1nc(-c2ccccc2)no1 95482438 BXUWISPMUJMIRR-INIZCTEOSA-N 381.432 3.561 0 40 GHAB Cc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3ccoc3)CC2)cc1 96037079 KCQZLTFQJJJPFE-UHFFFAOYSA-N 376.504 3.888 0 40 GHAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccoc1)CC2 96037038 DQBSPCNGXXPPEA-UHFFFAOYSA-N 390.487 3.610 0 40 GHAB Cc1ncsc1-c1ncccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2 257212675 CEMFHVIJSLAJGS-WGVRVLLMSA-N 382.533 3.649 0 40 GHAB COc1ccc(CNC(=O)NCc2sc(-c3ccco3)nc2C)cc1OC 90593459 HZRMMGIAUQSEOG-UHFFFAOYSA-N 387.461 3.728 0 40 GHAB O=C(O)c1cnc(C2CCN(C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)s1 630245602 LIVNZQQNMKUYIJ-VXGBXAGGSA-N 390.427 3.916 0 40 GHAB COc1ccccc1-c1cnc2n1CCN(C(=O)c1cccc(F)c1C)CC2 585111266 LZVFWNRWUQRBHQ-UHFFFAOYSA-N 379.435 3.705 0 40 GHAB CCOC(=O)N1CCN(C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 44774490 HJVHZVJXARKWBY-HZPDHXFCSA-N 399.516 3.647 0 40 GHAB CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)Nc1nccs1 5414292 MQDPIWPPYISQRP-ZFWWWQNUSA-N 375.469 3.799 0 40 GHAB biogenic,in-vitro COc1ccc(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)c(OC)c1 5464731 PVWKWUKKEKZUJL-HXUWFJFHSA-N 383.444 3.614 0 40 GHAB Cc1cc(C(=O)COC(=O)c2cc[n+]([O-])cc2)c(C)n1CCC1=CCCCC1 5961686 XISQXCMUTODLMS-UHFFFAOYSA-N 382.460 3.669 0 40 GHAB Cc1ccc(Cl)cc1-n1nnnc1SCc1nnc(-c2ccccc2)o1 11692900 OSWGYTNZZPLNNQ-UHFFFAOYSA-N 384.852 3.966 0 40 GHAB CC[C@@H](C(=O)NCc1ccc(C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712179 PILDAZJVEBMCSA-SFHVURJKSA-N 394.924 3.509 0 40 GHAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2C)C1=O 14903966 GHKSVWOLFFWINO-BOPFTXTBSA-N 382.441 3.679 0 40 GHAB Cc1ccc(OCCNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 18074821 VHGRGROHRPHQJM-UHFFFAOYSA-N 382.504 3.608 0 40 GHAB OC1(Cn2ccc3ncccc32)CCN(Cc2ccccc2OC(F)F)CC1 19348852 JTTSUFTYDUWJHL-UHFFFAOYSA-N 387.430 3.665 0 40 GHAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1)C1CC1 19400676 UXKVFKQCAIBIIK-LAUBAEHRSA-N 385.458 3.839 0 40 GHAB CCc1nncn1-c1ccccc1OCC(=O)Nc1cccc2ccc(C)nc12 19656140 DLCPIDOEEOOABT-UHFFFAOYSA-N 387.443 3.704 0 40 GHAB CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCC[C@@H]4O)sc3c2)ccn1 167747754 ADZBMFGQQWPHMJ-YOEHRIQHSA-N 398.488 3.559 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@@H]2CN(c3ncnc4ccsc34)C[C@H]2C1 1888906659 DTYODAPJVGRSEI-VXGBXAGGSA-N 391.422 3.678 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)c1cc(Cl)c2c(c1)OCCCO2 24624933 UMXSGHGLHDFWPM-UHFFFAOYSA-N 397.862 3.676 0 40 GHAB CC(C)(C)C(=O)Nc1ccc(-c2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1 29306475 XTZTYZNMTPHTDT-UHFFFAOYSA-N 396.472 3.735 0 40 GHAB O=C(NC[C@@H](c1ccccc1)c1nc[nH]n1)c1ccc(SC(F)(F)F)cc1 1157823869 FSHBIWTUAMSWHH-HNNXBMFYSA-N 392.406 3.979 0 40 GHAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(CCc2ccccc2)CC1 34878952 WMMZYEPDPXDBBV-UHFFFAOYSA-N 399.343 3.542 0 40 GHAB COc1ccc(CC(=O)NC[C@@H]2[C@@H](C)C[C@@H]3[C@H]2CC(=O)N3C2CCCCC2)cc1 1775964330 GKVKZHAPHGVYNG-FBEWHJACSA-N 398.547 3.560 0 40 GHAB biogenic,in-vitro CC(=O)N1CCN(Cc2csc(C)n2)C[C@H](Cc2cccc3cccnc23)C1 2037845542 AFIAHALWTISLEC-SFHVURJKSA-N 394.544 3.523 0 40 GHAB O=C(c1cc(F)cc(F)c1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912527 NSBMOMXTZMHJLB-FQEVSTJZSA-N 379.378 3.540 0 40 GHAB CCN1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C(=O)OC)C1 4223558 VSDMZBULWYVHDT-UHFFFAOYSA-N 384.910 3.880 0 40 GHAB O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1cccc(F)c1 4375604 BHCSPBRZCGIZBC-UHFFFAOYSA-N 384.411 3.709 0 40 GHAB COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1 8901297 BBRYCEBOXQOFBO-LJQANCHMSA-N 394.562 3.652 0 40 GHAB O=C(C1CC(F)(F)C1)N1CCc2sc(COCc3ccncc3)cc2C1 2055772637 IADABZNGPPTMMX-UHFFFAOYSA-N 378.444 3.790 0 40 GHAB Cc1nn(CCNC(=O)c2cc(-c3ccco3)on2)c(C)c1-c1ccsc1 575615184 MYYOPVQTILUZNE-UHFFFAOYSA-N 382.445 3.906 0 40 GHAB Cc1nc(C2(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)CCCCC2)no1 40040093 VEJBBIACDCBGRG-SFHVURJKSA-N 385.464 3.525 0 40 GHAB CCN(CC)CCn1c(=N)n(CCOc2ccc(Cl)cc2)c2ccccc21 20069484 YOXVNCWHNRSXIO-UHFFFAOYSA-N 386.927 3.996 0 40 GHAB Cc1ccc2c(c1)[C@H](Cc1nc3ccccc3c(=O)n1-c1ccccc1)C(=O)N2 100603164 ABPLITHNQAUUEY-IBGZPJMESA-N 381.435 3.973 0 40 GHAB Cc1cccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c1C 36716794 OPSOGASJYLRNTA-UHFFFAOYSA-N 385.508 3.769 0 40 GHAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)NC1CCCCC1 779215 SFYLFZHCWNVTLT-UHFFFAOYSA-N 388.537 3.726 0 40 GHAB COc1cccc(-c2noc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)c1OC 9318082 UVDRBRZSZVIFFP-LBPRGKRZSA-N 399.834 3.928 0 40 GHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCC(=O)N1CCCCCC1 60278254 LLVMUPBPDVAVKA-UHFFFAOYSA-N 385.430 3.640 0 40 GHAB O=C(OCC(F)(F)C(F)F)[C@H]1CCCC[C@H]1C(=O)NCCc1ccccc1 1085158 FLEBOZRMEYFCKM-CABCVRRESA-N 389.389 3.595 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3[C@H]4CCc5ccccc5[C@@H]43)C2)cc1 101747468 IYIVQUSPBCLMAV-XXTHSBEZSA-N 388.511 3.692 0 40 GHAB CN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Oc2ccccc2)c1 6681289 HGCQEUJEMWUHIR-UHFFFAOYSA-N 391.445 3.932 0 40 GHAB COc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1OC 6876024 AYKHLVJDZNXXAL-UHFFFAOYSA-N 383.448 3.586 0 40 GHAB O=C1C[C@H](c2ccccc2OCc2ccc(Br)cc2)n2ncnc2N1 6884684 ISARYPAOBGKZHS-OAHLLOKOSA-N 399.248 3.551 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCCOc2cccc(Cl)c2)c1 7779556 MOEJTMPMNQIVEE-UHFFFAOYSA-N 389.256 3.633 0 40 GHAB NS(=O)(=O)c1ccc(CNc2ncnc3sc(-c4ccccc4)cc23)cc1 7786003 ZLLWZKDKZMWFOG-UHFFFAOYSA-N 396.497 3.618 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(C)cc2)CC1 100750074 MSIXZVFESOBVDK-ZFGGDYGUSA-N 393.531 3.733 0 40 GHAB CCCN(CCC)C(=O)c1ccc(NC(=O)N[C@H]2CCCc3c2cnn3C)cc1 47599529 VIQGEFSEZZVFJZ-IBGZPJMESA-N 397.523 3.881 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)CSc1nccn1-c1ccccc1)OCO2 12535844 RXIOFSJWVQKUIA-UHFFFAOYSA-N 395.440 3.534 0 40 GHAB COC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1[C@@H](C(=O)OC)CC2 790571 DVNRIPKZCDGASS-NSHDSACASA-N 399.424 3.736 0 40 GHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cccc(-n2cccc2)c1 12553968 VCNJSLZUUDIZTD-UHFFFAOYSA-N 395.890 3.909 0 40 GHAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 28295282 HZHALIXSPNDTQI-OALUTQOASA-N 386.511 3.901 0 40 GHAB O=C(COC(=O)c1ccccc1Br)NCCc1ccc(Cl)cc1 3274423 PMEHSVYBRZHOJC-UHFFFAOYSA-N 396.668 3.618 0 40 GHAB Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)CN2CCCCCC2)[C@@H]3CCC1 55065783 DWUJFNMLPXHGHA-AUSIDOKSSA-N 381.564 3.880 0 40 GHAB COc1cc(CC(=O)NCc2cccc(C(F)(F)F)c2)cc(OC)c1OC 3322903 OKQMEQIDTMBFNR-UHFFFAOYSA-N 383.366 3.590 0 40 GHAB COc1ccc(CNC(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 23140467 CIIWAIZYRGYUSE-OAHLLOKOSA-N 398.488 3.896 0 40 GHAB CCCNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 113934470 IDRHMUOACVSVLO-UHFFFAOYSA-N 394.924 3.678 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2ccccc2C(F)(F)F)cc1OC 3338105 LMRHMPDWLMPCQB-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(C)c(C)c4)CC3)n2)cc1 12760527 GRRURLBFHBFQRI-UHFFFAOYSA-N 390.487 3.620 0 40 GHAB COc1cc(N[C@@H](C)C(=O)NCCC2=CCCCC2)ccc1N1CCCC1=O 10185111 DBISWVRWCCLLIQ-INIZCTEOSA-N 385.508 3.629 0 40 GHAB CC(C)(C)c1nc([C@H]2NC(=O)CN2Cc2ccc(Br)cc2)cs1 58166662 QDHLGGWTADJMNB-HNNXBMFYSA-N 394.338 3.834 0 40 GHAB CCCCc1noc([C@H](C)N2CCN(CCOc3ccc(Cl)cc3)CC2)n1 58194459 UCIKCIIIXMTYRB-INIZCTEOSA-N 392.931 3.823 0 40 GHAB Cc1nc(NC(=O)c2cc(Cl)ccc2F)sc1-c1nnc(S)n1C 12776058 JEMSBJZEDJKUCK-UHFFFAOYSA-N 383.861 3.581 0 40 GHAB COc1ccccc1OCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 18075359 OKLLQXRVZIYOQO-GFCCVEGCSA-N 384.259 3.965 0 40 GHAB O=C(NCc1ccccc1OC(F)(F)F)c1ccc(NC(=O)C2CC2)s1 10850684 LNRJUQQYOMVKKN-UHFFFAOYSA-N 384.379 3.925 0 40 GHAB CC(C)c1ccc(-c2nc(C(=O)NCC(C)(C)N3CCOCC3)cs2)cc1 12822696 KDPCSDVHLRUSRJ-UHFFFAOYSA-N 387.549 3.774 0 40 GHAB CNC(=O)c1ccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 12863641 RWFSZDRHTQCBFL-UHFFFAOYSA-N 395.484 3.571 0 40 GHAB Cc1nc(/C=C/C(=O)Nc2nnc(-c3ccccc3Br)[nH]2)cs1 12929721 MGXJDTILNQBWIJ-VOTSOKGWSA-N 390.266 3.651 0 40 GHAB Cc1ccc(CN(C)C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12981034 NFUUATVHEZXGDN-HXUWFJFHSA-N 380.488 3.562 0 40 GHAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc(OC)c1O 170612485 CFBIVVPQSCMBOS-WCHKGIOSSA-N 391.514 3.812 0 40 GHAB COC(=O)c1cnc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)s1 13011715 SCKFVFMAQAKKNU-UHFFFAOYSA-N 379.397 3.990 0 40 GHAB CCCOc1ccc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)cc1OC 13285271 IQUOQWOYRLRZKT-PKNBQFBNSA-N 379.460 3.732 0 40 GHAB biogenic CCOc1ccc(-n2c(SCC(=O)N[C@H](C)COC)nc3ccccc32)cc1 8724903 SLLKYBVTOMRXGA-OAHLLOKOSA-N 399.516 3.667 0 40 GHAB CCOc1ccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)c(=O)[nH]c2c1 4033960 UGFPQOUHYKRAHS-QFIPXVFZSA-N 389.455 3.933 0 40 GHAB Cc1cccc(N(CCCC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1 13847279 JUFJLILSFQHMAE-UHFFFAOYSA-N 378.538 3.548 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1F 5249090 IHMXPZCSTUIVAX-UHFFFAOYSA-N 395.257 3.899 0 40 GHAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1 14115497 UKYUXDLNMOTOOT-UHFFFAOYSA-N 396.468 3.720 0 40 GHAB COc1cc(C)c(CN2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1OC 14182063 VCXYLSPHBYUYHM-UHFFFAOYSA-N 394.471 3.716 0 40 GHAB COc1ccc2c(c1)c(C(=O)CN1CCN(C3CCCCC3)CC1)c(C)n2C 19371967 UHAOCLFJDPELCX-UHFFFAOYSA-N 383.536 3.628 0 40 GHAB Nn1c(SCc2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1Cl 4523948 RCCQUPFTUNGDRB-UHFFFAOYSA-N 395.271 3.987 0 40 GHAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)N4CCOCC4)c(C)c3cc2c1C 4743797 WPKDTEUYDLLRRD-UHFFFAOYSA-N 383.444 3.564 0 40 GHAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)N2CCc3ccccc32)c1 67246446 WVROPOOFOUMXGT-UHFFFAOYSA-N 388.471 3.501 0 40 GHAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n(C2CCCC2)c1C 7178854 PEALFOSAUOYGAB-ZDUSSCGKSA-N 399.520 3.904 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCCC[C@@H]2CCN2CCOCC2)c1 15831591 DXLJWCVNDYBJDS-HXUWFJFHSA-N 388.552 3.601 0 40 GHAB O=C(CCC(=O)c1cccs1)NCCC(=O)OCc1ccc(Cl)cc1 16046735 WDVZZPANZCGDQJ-UHFFFAOYSA-N 379.865 3.614 0 40 GHAB CCOc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1NC(=O)CC 408697669 KUXBMZGMBJIFAT-UHFFFAOYSA-N 380.510 3.603 0 40 GHAB CN(C(=O)c1ccc(OCC2CC2)nc1)C1CCN(c2cccc(F)c2)CC1 72303194 XASSQHVUKVMGKP-UHFFFAOYSA-N 383.467 3.751 0 40 GHAB Cc1cc2ccccc2n1CC(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1 95455973 YZOLQLWURAYIDM-INIZCTEOSA-N 384.505 3.576 0 40 GHAB O=C(c1cccc(F)c1)N1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1 98211534 NLOSSDQAESPISN-UHFFFAOYSA-N 382.414 3.707 0 40 GHAB CC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCCC2)CC1 22929875 POTUVEWKKVJUPS-QFIPXVFZSA-N 396.583 3.563 0 40 GHAB COc1cccc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 306131493 KGKATXHBRWBYCU-LJQANCHMSA-N 391.519 3.718 0 40 GHAB O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 20061864 AMIIXWQTTHEWQZ-UHFFFAOYSA-N 396.940 3.745 0 40 GHAB O=C1CN(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2Cl)CCN1 32915408 FUGDNPRBUPCPHD-UHFFFAOYSA-N 398.677 3.835 0 40 GHAB CSc1ccccc1C(=O)Nc1nn(C)c2c1[C@@H](c1ccccc1)CC(=O)N2 35597868 IAENUUFTVYPQSV-OAHLLOKOSA-N 392.484 3.868 0 40 GHAB O=C(c1cccs1)N1CCO[C@@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306128344 GXZSVGFCCVAXHU-GOSISDBHSA-N 390.468 3.672 0 40 GHAB O[C@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3cccnc3)nn21 72396321 NANKWVQVYKXYRA-SFHVURJKSA-N 377.404 3.545 0 40 GHAB O=c1nc(-c2ccco2)c2nc(N3CCCC3)sc2n1Cc1ccccc1F 32615522 VXHHAMMGEFDZRW-UHFFFAOYSA-N 396.447 3.901 0 40 GHAB COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3ccc(C)cc3)n2)c1 35425110 PEAHFGFGMMZXTK-FQEVSTJZSA-N 394.475 3.802 0 40 GHAB biogenic,in-vitro O=C(Cc1csc(-c2cccc(Cl)c2Cl)n1)N1CCc2nc[nH]c2C1 1565524339 JHNGYQCFPDKLIN-UHFFFAOYSA-N 393.299 3.967 0 40 GHAB COCCNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36359318 FWHCDYMSLVWERZ-FQEVSTJZSA-N 378.472 3.506 0 40 GHAB COc1ccc(C(=O)O[C@H]2CC(C)=CC[C@@]3(C)[C@@H](O)C[C@@](O)(C(C)C)[C@H]23)cc1 36375368 RXDHJTUMDKQLEV-PTLNGURQSA-N 388.504 3.735 0 40 GHAB biogenic,in-vitro CCCCCN(Cc1nnc2n(C)c(=O)c3sccc3n12)[C@@H](C)CCC 48341111 HSGNSZZZKVZKIS-AWEZNQCLSA-N 375.542 3.824 0 40 GHAB COc1ccc(CNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 48633945 BTLPFLRQVAVWKE-UHFFFAOYSA-N 390.439 3.529 0 40 GHAB Cc1cccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c1 224626525 IAIMIENWTKQGGE-UHFFFAOYSA-N 382.570 3.872 0 40 GHAB Cc1ccc(C)c(NC(=O)CCNC(=O)c2ccc3nc(Cl)n(C)c3c2)c1 222550296 YBQONMJVLQTRES-UHFFFAOYSA-N 384.867 3.602 0 40 GHAB CCN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(Br)c1 224880618 UASYVETUZJDNMD-UHFFFAOYSA-N 388.258 3.812 0 40 GHAB Cc1cc(O[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)cc(C)c1Cl 225256857 DPOJUTGVEHXJSH-ZBFHGGJFSA-N 375.852 3.680 0 40 GHAB O=C(Cc1noc2ccc(F)cc12)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 573187839 UFJKOKCKOMSIKW-HBFSDRIKSA-N 380.419 3.541 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 222486169 WNJNLFIFIJPNCC-GOSISDBHSA-N 384.545 3.700 0 40 GHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1n[nH]c([C@H]2CCCO2)n1 95473613 ZMDPPCKYOOVKGD-GFCCVEGCSA-N 389.868 3.994 0 40 GHAB NC[C@H]1CC[C@H]([C@H](NC(=O)CCOc2cccc(F)c2)c2ccccn2)CC1 257313853 UUJRJHGKNBANAT-HOIFWPIMSA-N 385.483 3.612 0 40 GHAB Cc1cc(C2(NC(=O)Nc3ccc(-c4nccc(C)n4)cc3)CCOCC2)on1 626385388 HUUJPAVMTZNUAQ-UHFFFAOYSA-N 393.447 3.576 0 40 GHAB Cc1ccc(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c(OC[C@H]2CCOC2)c1 660872686 FMXNCFVVWDUODB-NPPFBWRTSA-N 394.515 3.938 0 40 GHAB CSCc1cccc(CNC(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 596578355 MGCIWMHLMIJGPO-LEWJYISDSA-N 384.545 3.857 0 40 GHAB CS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(-c3ccoc3)cc2)cc1 390830372 KQPWKAZNUVXUJW-UHFFFAOYSA-N 383.469 3.599 0 40 GHAB CCc1ncnc(O[C@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)c1F 390829356 YAVAKURTZQLUAD-ZDUSSCGKSA-N 398.360 3.882 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1csc2ccccc12)N(C)C 575620052 IFRQOJGLMDFCCG-KRWDZBQOSA-N 392.521 3.930 0 40 GHAB COC(=O)c1c(C)nsc1NC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 56354352 QZOHUTHPWOSBSJ-CQSZACIVSA-N 377.441 3.616 0 40 GHAB Cc1cccc(CC(=O)N2CCOC[C@@H]2c2c(C)nn(CC(F)(F)F)c2C)c1 96002538 QBZZLHMYBXHSCR-QGZVFWFLSA-N 395.425 3.513 0 40 GHAB COc1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 5200025 SHCIRVZRQHMQKP-UHFFFAOYSA-N 394.393 3.732 0 40 GHAB Nn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1-c1ccco1 5335418 CAPFKTKVIMWGLQ-UHFFFAOYSA-N 397.504 3.710 0 40 GHAB O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(C(F)(F)F)cc1 5388012 PGQIDWLKXPCELK-UHFFFAOYSA-N 379.363 3.629 0 40 GHAB CCOc1cc(CCC(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)on1 12188197 FFZXWYLTNPUTNA-SFHVURJKSA-N 379.460 3.960 0 40 GHAB Cc1ccc2[nH]c(SCC(=O)NC(=O)c3ccc(OC(F)F)cc3)nc2c1 12542730 HUKHCMYLKRVVHP-UHFFFAOYSA-N 391.399 3.521 0 40 GHAB Cc1cc(C(=O)N2CCC(c3nc(C)c(-c4ccnc(C)n4)s3)CC2)on1 12668053 HWSAWSBGGHNEHA-UHFFFAOYSA-N 383.477 3.533 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)on1 14566359 SSFCIYYCZRJUGQ-DGCLKSJQSA-N 381.432 3.773 0 40 GHAB CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 15080519 WHYOZYBKQKEKMC-UHFFFAOYSA-N 392.908 3.939 0 40 GHAB Cc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 15629731 ZLBXVLZZSUWCRK-UHFFFAOYSA-N 386.517 3.571 0 40 GHAB CCOc1cc(Br)c(Br)c(/C=C/C(=O)O)c1OC 16688140 DWJNQCWPLDWBMA-SNAWJCMRSA-N 380.032 3.717 0 40 GHAB CCN(CC)Cc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 16784028 IFPFULSEMQJMHQ-OAHLLOKOSA-N 397.544 3.891 0 40 GHAB Cc1nc(C)n(CC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)n1 19285818 FBBZEFDAHSRYDX-UHFFFAOYSA-N 395.410 3.600 0 40 GHAB Cc1ccc2c(c1)cc(C(=O)N[C@H](CCN1CCOCC1)c1ccccc1)n2C 19661309 SWFIBFDKHKICHC-OAQYLSRUSA-N 391.515 3.680 0 40 GHAB c1ccc(-c2ccc(Cn3ccnc3)cc2)c(CN=c2cc3c(n[nH]2)CCC3)c1 590922659 UUXMWPCQFVBWSW-UHFFFAOYSA-N 381.483 3.911 0 40 GHAB CN(CC1CCN(C(=O)NC2CCCC2)CC1)c1cc(C(F)(F)F)ccn1 1888864434 PFQZEXCFYOPKKP-UHFFFAOYSA-N 384.446 3.901 0 40 GHAB COc1ccc(S(=O)(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 32437746 IDHHIGKHVQOQTD-UHFFFAOYSA-N 388.420 3.500 0 40 GHAB O=C(c1cc2ccccc2oc1=O)N1CC[C@@H](Oc2cccc3cccnc23)C1 244983859 IUEIFZSKOKRKSJ-QGZVFWFLSA-N 386.407 3.635 0 40 GHAB CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 4144308 PYAOUMLERCDKJI-AWEZNQCLSA-N 388.411 3.630 0 40 GHAB CCc1ccccc1NC(=O)CSc1nccn(-c2ccc(C)cc2)c1=O 9320402 RXNOAXSMSPUMRI-UHFFFAOYSA-N 379.485 3.834 0 40 GHAB Cc1cccc(NC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)c1 9761445 QQJXXJBQBIRSKI-UHFFFAOYSA-N 383.448 3.719 0 40 GHAB O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1ccc(OC(F)(F)F)cc1 17156223 FFJDVVFMYPGVKV-UHFFFAOYSA-N 385.367 3.571 0 40 GHAB O=C(NCc1ccc(F)cc1)N1CCN(c2nc3ccc(F)cc3s2)CC1 36709379 DDYWMLWDOHOVMW-UHFFFAOYSA-N 388.443 3.606 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CC(c2nc(-c3cccs3)no2)C1 49483884 LJMZROYPNUXGTE-UHFFFAOYSA-N 376.441 3.828 0 40 GHAB COC(=O)[C@@H](CC(C)C)NC(=O)CCCOc1ccc(Cl)cc1Cl 2728839 BCHJRMMWMWZAJC-CQSZACIVSA-N 376.280 3.856 0 40 GHAB CCOc1ncccc1CNC(=O)C1(c2ccc(Br)cc2)CC1 30307891 XKHRRFJDAHAVHK-UHFFFAOYSA-N 375.266 3.591 0 40 GHAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)Cc1ccc(N2CCCC2=O)cc1 40150197 UGLVCJKDAUFKKX-IBGZPJMESA-N 394.519 3.501 0 40 GHAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(Cl)cc1 40288478 AUKRYFQSJOCENL-OAQYLSRUSA-N 397.862 3.666 0 40 GHAB O=C(c1snnc1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 40285999 BQEDALXIZDABHQ-UHFFFAOYSA-N 384.892 3.821 0 40 GHAB CCOC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc(C(C)=O)c1C 951808 AWZRLMXGTKCFQN-UHFFFAOYSA-N 391.445 3.705 0 40 GHAB COc1ccc(CNC(=O)[C@H](OC(=O)c2ccco2)c2ccc(C)cc2)cc1 1381042 HUTIRMWOBHQKHQ-HXUWFJFHSA-N 379.412 3.811 0 40 GHAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2ON=C(c3ccccc3Cl)[C@H]2C1=O 101210534 YQFQEEHBPLXGRA-ZBFHGGJFSA-N 375.211 3.594 0 40 GHAB COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC)c(C)c2OC)c(C)c1O 1674499 WVDQDUDKODKATA-UHFFFAOYSA-N 388.416 3.649 0 40 GHAB CSCC[C@H](NC(=O)c1ccc(Cl)nc1Cl)c1nnc2ccccn12 20744937 DAJGQXFVLAZNPL-NSHDSACASA-N 396.303 3.655 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCCCCC1 3230703 XKEHOHJYUFBVAC-UHFFFAOYSA-N 390.480 3.951 0 40 GHAB Cc1nn(C)c(C)c1/C=C/C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32678929 GFOYWIPMJTTYSZ-PKNBQFBNSA-N 381.476 3.750 0 40 GHAB Cc1ccc(S(=O)(=O)Nn2c(-c3ccccc3)nnc2-c2ccccc2)cc1 4770806 GVBMREQSUUDPAB-UHFFFAOYSA-N 390.468 3.853 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCc1ccc(F)cc1 6951519 HQAZTHOVUVBHEF-GZTJUZNOSA-N 384.407 3.716 0 40 GHAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(F)c1 8023323 QRHHSPRSXKMYQX-SFHVURJKSA-N 387.407 3.812 0 40 GHAB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2C)cc1 8433456 WGPJFGLPURARQF-UHFFFAOYSA-N 398.459 3.684 0 40 GHAB COc1ccccc1CNC(=O)CNC(=O)c1sc2ccccc2c1Cl 8767643 ZLGIWICAAKGHBG-UHFFFAOYSA-N 388.876 3.610 0 40 GHAB Cc1csc2nc(CN3CCN(Cc4ccc(C(C)C)cc4)CC3)cc(=O)n12 22023860 CIIVWYDGDGESSW-UHFFFAOYSA-N 396.560 3.506 0 40 GHAB CC(C)c1nnc(NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)s1 51119525 BZELLYHWBNHDSO-QMMMGPOBSA-N 387.292 3.725 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)C(C)(C)Oc1ccc(Cl)cc1 23055987 JPEWSMIYJCXSGR-UHFFFAOYSA-N 375.852 3.927 0 40 GHAB Cc1cccc(CN2CCN(Cn3nc(C4CC4)n(C4CC4)c3=S)CC2)c1 23256936 HEBDIYWBUFUAGU-UHFFFAOYSA-N 383.565 3.710 0 40 GHAB O=c1c2ccccc2nnn1CN1CCCC[C@@H]1c1nc2ccccc2s1 23856091 RWPDXLXJPKZOQA-QGZVFWFLSA-N 377.473 3.586 0 40 GHAB CCOc1ccccc1-c1noc(Cn2cnc3sc(C)c(C)c3c2=O)n1 22240149 SACMNMGLBSVILN-UHFFFAOYSA-N 382.445 3.572 0 40 GHAB CNS(=O)(=O)c1cc(Nc2nc(C(F)(F)F)nc3ccccc23)ccc1C 12597510 OAAXIIDVKUDGGX-UHFFFAOYSA-N 396.394 3.609 0 40 GHAB O=C(CCC(=O)c1cccs1)NCC1(c2ccc(F)cc2)CCOCC1 55453367 KMMSHIXONYIPCF-UHFFFAOYSA-N 375.465 3.715 0 40 GHAB O=C([C@H]1CCCN(c2ncccn2)C1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 34858845 QAYIWKFISHDWBR-JTHBVZDNSA-N 398.510 3.867 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 26090984 XFPRCAZLRVXLQB-AWEZNQCLSA-N 399.541 3.940 0 40 GHAB CCn1c(CNC(=O)C2(c3cccc(F)c3)CCOCC2)nc2ccccc21 57191554 LWWZVYSRXAHKBM-UHFFFAOYSA-N 381.451 3.560 0 40 GHAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1Cl 119861907 NRIJRBOMDNCHJT-KRWDZBQOSA-N 387.892 3.780 0 40 GHAB CN(C)[C@H](CNC(=O)COC(c1ccccc1)c1ccccc1)c1ccco1 44515352 HCZPIRCFSDIGJY-HXUWFJFHSA-N 378.472 3.805 0 40 GHAB Cc1cc(C)c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2n1 27028843 WCJLTQRMZWHMME-UHFFFAOYSA-N 396.501 3.595 0 40 GHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Oc3ccccc3)c2)c1 12783336 QXGWTNGRUGDAHH-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB COC(=O)C[C@H](NC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2)c1cccs1 48237468 IAEFAWVNAFXOQN-LBPRGKRZSA-N 389.473 3.839 0 40 GHAB O=C(COc1ccc(Cl)c2cccnc12)NC[C@H]1CCN(c2ccccc2)C1 48367623 WATWDIBILOCUIQ-MRXNPFEDSA-N 395.890 3.910 0 40 GHAB CC(C)c1ccc2c(c1)[C@@]1(Nc3ccccc3C(=O)N1C[C@H]1CCCO1)C(=O)N2 48355587 SFQCAMMIYZANIJ-MWTRTKDXSA-N 391.471 3.662 0 40 GHAB Clc1ccc2c(N3CCN(Cc4ccc5c(c4)CCO5)CC3)ncnc2c1 12895191 YZAJOROIRDMASR-UHFFFAOYSA-N 380.879 3.540 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(COc2c(F)c(F)cc(F)c2F)n1 7983745 DQRBTGUKPRWHLB-UHFFFAOYSA-N 379.317 3.641 0 40 GHAB Cc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)cc1 12922888 NWPILPFITNGTNG-UHFFFAOYSA-N 382.479 3.735 0 40 GHAB CN(C(=O)CSc1ccccc1C(=O)NCC(=O)C(C)(C)C)c1ccccc1 12902353 TXMLRUIBTVUVTA-UHFFFAOYSA-N 398.528 3.787 0 40 GHAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1coc(-c2cccs2)n1 16695247 JHEKQPDAWRANAM-MRXNPFEDSA-N 392.440 3.548 0 40 GHAB COc1ccc(NC(=O)Cn2c(Nc3cc(C)cc(C)c3)nc(C)cc2=O)cc1 65311029 QVHOFXGPWFWRNJ-UHFFFAOYSA-N 392.459 3.559 0 40 GHAB Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 6342288 MPNOTZRWPYAGFG-UHFFFAOYSA-N 388.467 3.985 0 40 GHAB CC(=O)Nc1ccc(C2=N/C(=C\c3ccc(Br)s3)C(=O)O2)cc1 4470648 RZTBTSGIXFUOTQ-JYRVWZFOSA-N 391.246 3.814 0 40 GHAB NC(=O)CCN(C(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 14199868 XQMIYICTJIBTEA-UHFFFAOYSA-N 376.431 3.866 0 40 GHAB CCCCn1nnnc1CSc1nnc(-c2ccco2)n1Cc1ccccc1 5471242 ZDODDLZSZDFWOD-UHFFFAOYSA-N 395.492 3.665 0 40 GHAB COc1ccc(N(Cc2ccc(Cl)cc2Cl)S(C)(=O)=O)c(OC)c1 408628340 XDBCUHIATUUGNS-UHFFFAOYSA-N 390.288 3.977 0 40 GHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc(-c3ccccc3)no2)C1=O 8428579 HNSOKFSVCIFJFC-FQEVSTJZSA-N 396.834 3.747 0 40 GHAB CS(=O)(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1 4879391 XRFCRQZQSTUYMP-MRXNPFEDSA-N 397.269 3.699 0 40 GHAB C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1ccccc1N1CCOCC1 15038422 PROMZUQWTVVZIS-MRXNPFEDSA-N 387.911 3.636 0 40 GHAB O=C(CSc1ccc2c(c1)OCCCO2)NCCc1c[nH]c2ccccc12 7021746 ZZTHLJNYYSYMAU-UHFFFAOYSA-N 382.485 3.780 0 40 GHAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 7007184 ARHLFYZXUFRZQW-AWEZNQCLSA-N 381.501 3.834 0 40 GHAB CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nc2ccccc2c1=O 7081082 CCWIOWLMPZSYJQ-GOSISDBHSA-N 379.485 3.528 0 40 GHAB C[C@@H](Nc1ncc(Br)cn1)c1cc(F)ccc1N1CCC(O)CC1 67372474 GZWFAYSQZZQMGC-LLVKDONJSA-N 395.276 3.512 0 40 GHAB COc1ccc(OC)c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 7106441 KYQVZDFAHNAPJZ-UHFFFAOYSA-N 394.393 3.685 0 40 GHAB Cc1ccc2[nH]c(SCC(=O)Nc3ccc(Br)cn3)nc2c1 7344201 SVTJRAYKRFIFNU-UHFFFAOYSA-N 377.267 3.760 0 40 GHAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)S(=O)(=O)c1ccccc1 9266660 HQYHBEONITWSHS-UHFFFAOYSA-N 384.501 3.828 0 40 GHAB COc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2F)c(OC)c1OC 96998096 ZNJYUCNWZZNPPM-UHFFFAOYSA-N 385.395 3.598 0 40 GHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCCCSc1ccccc1 9582764 CGWYVZHGBJNGIO-UHFFFAOYSA-N 395.528 3.702 0 40 GHAB COc1cccc(-c2[nH]ncc2C(=O)NCc2cccc(Br)c2)c1 72329222 DPSUDQWPPYPAGZ-UHFFFAOYSA-N 386.249 3.778 0 40 GHAB O=C(CCCOc1ccccc1Cl)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 95432784 UFIAQFWZJKXLOZ-YJBOKZPZSA-N 390.911 3.501 0 40 GHAB CCCOc1c(Cl)cc(-c2noc(-c3nccn4ccnc34)n2)cc1OC 545537233 GOACQNJCTVFFPH-UHFFFAOYSA-N 385.811 3.897 0 40 GHAB Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1 408591667 IZDIRHALGJKAFM-OAQYLSRUSA-N 394.496 3.523 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 219704576 CSFYBQJOJCSNQC-QGZVFWFLSA-N 396.512 3.646 0 40 GHAB O=C(CN1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1)N1CCCC1 72348785 DCKGEGBVFXDZEI-LJQANCHMSA-N 381.495 3.613 0 40 GHAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1COCC(=O)N1Cc1ccccc1 70641529 GDDLLORDIUUWAO-QHCPKHFHSA-N 398.462 3.624 0 40 GHAB Fc1cccc(-c2ccc(CN3CCn4c(nnc4[C@@H]4CCCCN4)C3)cc2)c1 72374060 PCEFFWMUGFSHHV-NRFANRHFSA-N 391.494 3.915 0 40 GHAB CNC(=O)c1ccc(/C=C/C(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 32760440 VUNDNMATECAYMR-NTEUORMPSA-N 388.471 3.809 0 40 GHAB Cc1ccc(S[C@@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 31852029 ZSFVBRAWTMVMMX-KRWDZBQOSA-N 398.528 3.549 0 40 GHAB O=C(Nc1ccc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1)c1ccco1 33164422 HQYLMMOKUCLBOQ-IBGZPJMESA-N 393.374 3.803 0 40 GHAB CC(C)c1ccc(OCCc2cc([C@@H]3CCN(Cc4cnn(C)c4)C3)n[nH]2)cc1 72371565 MHXPKQWZGQANCI-HXUWFJFHSA-N 393.535 3.878 0 40 GHAB C[C@H](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1nc2ccccc2c(=O)[nH]1 35313953 OTPPREYODGAMKO-NSDYXAQKSA-N 379.504 3.577 0 40 GHAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(C(F)(F)F)c1 70762353 FPIDXFJDQRZUOT-HNNXBMFYSA-N 377.284 3.885 0 40 GHAB Cn1nc(-c2ccsc2)cc1NC(=O)c1ccc(CN2CCSCC2)cc1 562330359 HIFUWALHCUGTDS-UHFFFAOYSA-N 398.557 3.950 0 40 GHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccccc1C 223461493 VOQCBHIMBSGBIL-OAQYLSRUSA-N 398.572 3.824 0 40 GHAB COc1cccc([C@H](CC(=O)O)NC(=S)Nc2ccc3sncc3c2)c1 225214867 MTFZLIMHAZXDEI-HNNXBMFYSA-N 387.486 3.807 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 225070673 IGUYPXHLAVHTME-QGZVFWFLSA-N 386.923 3.869 0 40 GHAB COc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cc1Cl 225926753 WAHUJNPUUCJMLO-UHFFFAOYSA-N 376.884 3.860 0 40 GHAB O=C(Cn1ccc2ccc(Br)cc21)Nc1nnc(C2CC2)s1 40283336 NKCXHBOJNYEMRS-UHFFFAOYSA-N 377.267 3.771 0 40 GHAB COCCC1(NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)CCCC1 225871081 FJGSIAKTRVASLY-UHFFFAOYSA-N 389.565 3.948 0 40 GHAB CCn1cc(C2CCN(Cc3ccc(C(=O)O)cc3Br)CC2)cn1 571053088 BUQPPCRRPULJKO-UHFFFAOYSA-N 392.297 3.743 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222633280 OZBQZZLTRQGJMX-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB CCOc1ccc(-c2cnc(CCC(=O)NCc3ccc4c(c3)OCO4)o2)cc1 224861575 NYZFCUYRNKZKLI-UHFFFAOYSA-N 394.427 3.718 0 40 GHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c1 224977587 JPIBNJRODXFKOM-UHFFFAOYSA-N 388.489 3.573 0 40 GHAB O=C(NC[C@H]1CCCO1)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1 257286174 PKOXFBFKACNQMU-HXUWFJFHSA-N 398.478 3.522 0 40 GHAB CC[C@@](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)(OC)c1ccccc1 96123812 YLVZJZQFHADJSH-IBGZPJMESA-N 394.393 3.712 0 40 GHAB CCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1c[nH]c(Cl)c1)C2 585107118 PQZQRRGCYFNYGG-NRFANRHFSA-N 395.894 3.825 0 40 GHAB CC1CCN(CCCCNC(=O)N[C@@H]2CCOc3c(Cl)cccc32)CC1 56805642 KZJISFUDDRBHGY-GOSISDBHSA-N 379.932 3.975 0 40 GHAB CC[C@@H]1C[C@@H](C(=O)N(C)CCN(C)c2cc(C(C)C)nc(C(C)C)n2)CCO1 1615610568 DPZYSYFHRCVFEZ-ZWKOTPCHSA-N 390.572 3.823 0 40 GHAB CN(Cc1ccccc1)/C([O])=C(/NC(=S)NC1=C(N)CCCC1)C(C)(C)C 1560406275 XCOAGBJGAQCLTI-UHFFFAOYSA-N 387.573 3.973 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1 5099257 JBJLYXRYHUFPIZ-UHFFFAOYSA-N 378.472 3.956 0 40 GHAB C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cn1 5668430 SLVKMDNQQDPTPC-SNVBAGLBSA-N 386.757 3.867 0 40 GHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)c3ccccc3)n2C)cc1 5847364 ARZKVUKRWIYZJL-AWEZNQCLSA-N 382.489 3.634 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N3CCC3)n2-c2ccc(C)cc2)cc1 12538545 ZWICRXPYRMLXGO-UHFFFAOYSA-N 394.500 3.576 0 40 GHAB CCOC(=O)[C@@H](C)Sc1nnc(-c2ccccc2O)n1Cc1ccccc1 13123832 ADMQIRCNQFXFEE-CQSZACIVSA-N 383.473 3.743 0 40 GHAB CC[C@H](C(=O)Nc1cccc(F)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716414 WCSCIOYPPPKEGV-GOSISDBHSA-N 378.469 3.626 0 40 GHAB Cc1ccc(N2N=C(C(=O)N[C@H]3CCOc4ccccc43)CCC2=O)cc1Cl 14780369 HWADDUYNPASECE-KRWDZBQOSA-N 397.862 3.771 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4cccc(OC)c4)[C@H]23)cc1 19019364 ODICQHDGNMUPNW-WXFUMESZSA-N 394.515 3.683 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(Cn3ccnc3)o2)c(OC)c1 19552130 RKSCDKUAJHBCOX-GOSISDBHSA-N 381.432 3.519 0 40 GHAB COc1ccccc1/C=C/CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19590308 DOSUACGESOKBGZ-WFNSPDMASA-N 378.520 3.714 0 40 GHAB CCn1c(=O)n(CC)c2cc(NCc3cc(-c4ccccc4)c[nH]c3=O)ccc21 12144089 MXFHFXKNJUZEDH-UHFFFAOYSA-N 388.471 3.810 0 40 GHAB COc1cccc(-c2ccc(C(=O)NCC(C)(C)c3ccc(F)cc3)c(=O)[nH]2)c1 19717191 OURUMVYLRKQGGE-UHFFFAOYSA-N 394.446 3.897 0 40 GHAB Cc1cc(O[C@@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)nc(C)n1 575609738 OQXRHMMWEIPKEU-CQSZACIVSA-N 379.382 3.796 0 40 GHAB CCOc1ccc(-n2c(SCCN3C(=O)CCC3=O)nc3ccccc32)cc1 28007278 YFOUECRRZZAUOB-UHFFFAOYSA-N 395.484 3.665 0 40 GHAB O=C1c2ccccc2C(=O)N1CCN1CCC[C@@H]1c1nc2ccccc2s1 23016249 YMEOODRXIFTCRE-QGZVFWFLSA-N 377.469 3.729 0 40 GHAB CN(C)c1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)cn1 2037978058 RNODLBHTAPSUBX-XLIONFOSSA-N 396.510 3.806 0 40 GHAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C(=S)Nc2cc(Cl)cc(Cl)c2)C1 2156058 MTYQQSZRTNJUBZ-RYUDHWBXSA-N 394.327 3.971 0 40 GHAB biogenic O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccccc1C(F)(F)F 3007479 OZYOYRDFAZTHMQ-UHFFFAOYSA-N 387.317 3.800 0 40 GHAB Cc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)N(C)c1ccccc1 12230464 FFXJMCVJSZTMMB-UHFFFAOYSA-N 380.419 3.538 0 40 GHAB CCc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCOCC3)c(O)n2n1 22854251 NDAVJAXZKICCFU-QGZVFWFLSA-N 386.521 3.604 0 40 GHAB CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCOCC3)c(O)n2n1 22854248 NDAVJAXZKICCFU-KRWDZBQOSA-N 386.521 3.604 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1C 23127667 UTNHZLMREWQMBG-UHFFFAOYSA-N 390.549 3.704 0 40 GHAB O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1nc2ccccc2s1 585304650 CULMCNAQCFHCRO-LBPRGKRZSA-N 392.406 3.719 0 40 GHAB CCOc1ccc(C(=O)CCC(=O)Nc2nccn2Cc2ccccc2)cc1 40151742 NZRPEOCQMJDSQL-UHFFFAOYSA-N 377.444 3.932 0 40 GHAB COC(=O)c1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1 725766 OFZYXUFIJSENOP-GDNBJRDFSA-N 386.201 3.580 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3C)C2)cc1 792334 GUVPIPDXPZMBJT-GOSISDBHSA-N 386.517 3.651 0 40 GHAB COc1ccc([C@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1OC 845472 LSHVVRDKKLZRKE-HXUWFJFHSA-N 397.452 3.698 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)n2C)c1 916551 IFGPMYDMYMWOTR-IYBDPMFKSA-N 388.537 3.584 0 40 GHAB COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NCc2ccc(F)cc2)cc1 1381058 KCPURLSILKWUSH-LJQANCHMSA-N 383.375 3.642 0 40 GHAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1 1634423 HNTDMEVTKVTHPE-UHFFFAOYSA-N 382.445 3.734 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2)N1C[C@H]1CCCO1 2402746 YCPBUPMWTWFIAD-BEFAXECRSA-N 379.387 3.656 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1 2927952 JMEAUZYKQAXCLX-UHFFFAOYSA-N 381.881 3.768 0 40 GHAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccccc1 3217030 PIPJWZGFHPLOMX-UHFFFAOYSA-N 386.407 3.968 0 40 GHAB COc1ccc(CCN(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1OC 3250271 OITVILBFGLSNCH-UHFFFAOYSA-N 380.847 3.609 0 40 GHAB COc1ccccc1CNC(=O)COC(=O)C1(c2ccccc2F)CCCC1 3311959 BJXVNCONPKAKIB-UHFFFAOYSA-N 385.435 3.506 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCC(=O)c2ccc(C)cc2)c1C 3334712 UCQWFHRPZDKPQP-UHFFFAOYSA-N 399.443 3.506 0 40 GHAB COc1ccccc1OCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 3550660 UQGIGYFZNDKXDC-UHFFFAOYSA-N 397.456 3.795 0 40 GHAB COCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccco1 4161495 GPOWVSCPFBNFAB-UHFFFAOYSA-N 392.868 3.569 0 40 GHAB O=C(c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)N1CCOCC1 4198855 UHYPREIRDJGXOG-UHFFFAOYSA-N 391.515 3.813 0 40 GHAB Cc1ccc2cc(CN(CCN(C)C)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C 4231200 GFUDXHTUQZJVTE-UHFFFAOYSA-N 392.503 3.741 0 40 GHAB Cc1cccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)c1C 4326917 ODCBEPYUQFWUBP-UHFFFAOYSA-N 390.472 3.534 0 40 GHAB COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccnc2)c1OC 4329842 JJNWLKBRZOILCR-IBGZPJMESA-N 378.432 3.537 0 40 GHAB CCn1c(SCCc2ccccc2)nc2nc3c(cc2c1=O)COC(C)(C)C3 5100923 LBRHDOMBHNGZIJ-UHFFFAOYSA-N 395.528 3.998 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 5298901 NSZKOUILQKWBLY-ZDUSSCGKSA-N 384.910 3.502 0 40 GHAB COc1ccc(-c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)n2)cc1OC 5388730 UISOPZIWKNLRTN-UHFFFAOYSA-N 390.361 3.995 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCCCCC2)c1 5443402 WDFFDXWAONQCKP-UHFFFAOYSA-N 386.517 3.964 0 40 GHAB O=C(COC(=O)c1ccc(F)cc1F)Nc1ncc(C(F)(F)F)cc1Cl 5752879 VYRDRNKBIKHSDH-UHFFFAOYSA-N 394.683 3.828 0 40 GHAB COc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1OC 6009347 PRJPBZUWZULDKZ-UHFFFAOYSA-N 377.853 3.964 0 40 GHAB O=C(COc1ccc(NC(=O)c2ccco2)cc1)NCCc1ccc(Cl)cc1 6083705 YJRRJVXQPSJYKI-UHFFFAOYSA-N 398.846 3.923 0 40 GHAB CSCC[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1C(=O)c2ccccc2C1=O 6236300 BDUDQNDTMHJSQY-LJQANCHMSA-N 394.496 3.532 0 40 GHAB C[C@@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)c1c[nH]c2ccccc12 6362282 QWMKZUQUKZXNJE-CQSZACIVSA-N 376.412 3.723 0 40 GHAB CCOc1cc2c(cc1/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccccc1)O[C@H](C)C2 6444432 DOUAPUUYKFJVMH-PCCNWKQFSA-N 395.455 3.992 0 40 GHAB O=C(Cc1nc2c(c(=O)[nH]1)[C@H]1CCCC[C@@H]1S2)Nc1ccc(Cl)cc1 6448257 LWIPSMDAUJHFOB-STQMWFEESA-N 375.881 3.736 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cc4c(s3)CCCC4)sc2c1 6638326 MFBTWMPJRASBNG-UHFFFAOYSA-N 392.527 3.892 0 40 GHAB COc1ccc(-c2nnc(S)n2-c2ccc(Cl)c(C(=O)O)c2)cc1OC 6659491 WWTIEJGZWNRGET-UHFFFAOYSA-N 391.836 3.592 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1Cl)S2 6811772 OIRDMVLQYLTCNO-IAGOWNOFSA-N 399.907 3.892 0 40 GHAB COc1cc(OC)c([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1OC 7113318 STQIVRBFLHHZKU-QGZVFWFLSA-N 396.365 3.841 0 40 GHAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1ccc(Cl)c(Cl)c1 7267395 HXDVGYOFYFPPLD-LLVKDONJSA-N 380.275 3.551 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1C 7505212 JAJZLGRFURUZLF-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1OC 7808918 SUGCSFGLWKCFKU-IBGZPJMESA-N 388.439 3.626 0 40 GHAB CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccs1 7925117 YHLLWHRYELCZBK-GOSISDBHSA-N 392.546 3.660 0 40 GHAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2[nH]1 7986642 XVUBIPVWJIPDHJ-XOBRGWDASA-N 394.450 3.568 0 40 GHAB NC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 8074358 VHDSSNPZJVUGHG-UHFFFAOYSA-N 396.450 3.950 0 40 GHAB O=C(Nc1ccc2c(c1)CCC2)c1ccccc1S[C@H]1CCS(=O)(=O)C1 8184572 YTNOJEMCBCMNBB-KRWDZBQOSA-N 387.526 3.707 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1C(N)=O 8567459 VOYJVPTYNMLEMY-VIFPVBQESA-N 397.656 3.607 0 40 GHAB COc1ccc(CC(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(C)C)cc1 8619759 LJJJUAOUXVGTAA-UHFFFAOYSA-N 394.471 3.525 0 40 GHAB COCCNc1nnc(SCc2cc(-c3ccc(OC)cc3)no2)s1 8735605 HMRPOCRVVCEEHL-UHFFFAOYSA-N 378.479 3.552 0 40 GHAB COCCN1C(=O)S/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O 9323711 VQTMLZZZRNXJNC-AWNIVKPZSA-N 381.251 3.613 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1OC 9420296 DBHCZDRFNBFRPF-CSKARUKUSA-N 391.471 4.000 0 40 GHAB COc1cc(NC(=O)COc2cccc3c2CCC3=O)c(OC)cc1Cl 10198243 KNTKLWVWKJLFGM-UHFFFAOYSA-N 375.808 3.504 0 40 GHAB COc1ccc2cc(C(=O)O[C@@H](C)C(=O)N(C)c3ccccc3)c(C)nc2c1 10726013 NAHOUEAEQHEDAE-HNNXBMFYSA-N 378.428 3.760 0 40 GHAB COc1ccc(CN2CC[C@](O)(c3ccccc3)C2)cc1Cc1c(C)n[nH]c1C 12241364 DIZASICCQHHYKH-XMMPIXPASA-N 391.515 3.719 0 40 GHAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 12525880 RIUPGPXBFBRQMN-UHFFFAOYSA-N 379.743 3.858 0 40 GHAB C[C@H](NC(=O)CNC(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1Cl 12822531 QGXKXUNLSZHRDB-VIFPVBQESA-N 387.213 3.879 0 40 GHAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc3c(c2)OCCCO3)C(C)C)cc1 12908567 JBDRTUBUCYFIKA-FQEVSTJZSA-N 382.460 3.549 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1 12937719 SCGBGIYOZMBYFN-UHFFFAOYSA-N 386.835 3.896 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc(=O)c3cc(C)ccc3o2)c(C)c1 12989442 FBBZBBHCHUGXGI-UHFFFAOYSA-N 392.455 3.737 0 40 GHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1Br 13018691 RBVDPQNFWLLTHR-UHFFFAOYSA-N 391.284 3.983 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3ccncc3)cc2n1 13225489 WRPGFNXARQXSRG-HNNXBMFYSA-N 389.381 3.819 0 40 GHAB Cc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)N1CCCC1 13583127 JCNOOJMFPPMJQJ-UHFFFAOYSA-N 378.538 3.622 0 40 GHAB C[C@@H]1CC(=O)c2cnc(NC(=O)COc3ccc(Cl)cc3Cl)nc2C1 13635991 WLXMMZXVDTYGDB-VIFPVBQESA-N 380.231 3.566 0 40 GHAB CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715205 NITNJLGPWKEDQD-MRXNPFEDSA-N 384.860 3.662 0 40 GHAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cc(O)nc2ccccc12 15614111 OVXJIPCSYPOHPW-UHFFFAOYSA-N 375.472 3.856 0 40 GHAB COc1ccccc1NC(=O)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 15883032 XGPFZFPRNYLPOS-UHFFFAOYSA-N 386.810 3.950 0 40 GHAB C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc(C(=O)NN2[C@@H](C)CCC[C@H]2C)cc1 16608902 QFROWPANECRLGK-XLAORIBOSA-N 386.540 3.502 0 40 GHAB Cc1ccc(CC(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)cc1 19209186 GGNPCLBRXVGBKQ-UHFFFAOYSA-N 378.516 3.860 0 40 GHAB CCOC(=O)C1(C[C@@H]2CC(c3ccccc3C)=NO2)CCN(CC2CC2)CC1 19530193 JFRGYYZTCTWUGI-IBGZPJMESA-N 384.520 3.933 0 40 GHAB Cc1cc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(C3CC3)n2)c2ccc(F)cc2)cs1 19571964 NBIBZRVCLNPMAN-SFHVURJKSA-N 397.475 3.870 0 40 GHAB Cc1cccn2cc(C(=O)Nc3nnc([C@@H](C)Oc4ccccc4)s3)nc12 19718807 FAHCMZVNDQPEQI-CYBMUJFWSA-N 379.445 3.887 0 40 GHAB COc1ccccc1CCN1COc2c(cc3c4c(c(=O)oc3c2C)CCC4)C1 19890961 RTEXNWUBFGFKCK-UHFFFAOYSA-N 391.467 3.993 0 40 GHAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCN2CCOCC2)c(C(C)C)c1 20010934 UBMTZTOWVUQUQA-UHFFFAOYSA-N 396.597 3.667 0 40 GHAB CCOc1ccc(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)cc1 21360844 MGAWFJIEGIDWKJ-UHFFFAOYSA-N 384.480 3.582 0 40 GHAB CCOc1ccc(OC(C)(C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 23184333 GTFJIVKTVSJEFA-GOSISDBHSA-N 385.460 3.541 0 40 GHAB Cc1ccc(C)c(SCC(=O)N[C@@H](C)[C@H](c2ccccc2)N2CCOCC2)c1 25337112 VDGZDNGPJSFVNO-WMZHIEFXSA-N 398.572 3.974 0 40 GHAB C[C@@H](NC(=O)CNc1ccc(C(=O)N(C)C)cc1)C12CC3CC(CC(C3)C1)C2 30494246 NYJFVOIYRVEQML-LRYXAPPNSA-N 383.536 3.521 0 40 GHAB CC(C)C[C@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccccc1 30755035 KTEXEFKIVLQLTQ-PXNSSMCTSA-N 388.533 3.745 0 40 GHAB O=C(Nc1nccs1)[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1 32090063 CHVKLEFBFKKHFL-MRVPVSSYSA-N 389.786 3.807 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)c3ccc(N4CCOCC4)nc3)ccc2o1 32818763 LDKDPUANWAIPJN-UHFFFAOYSA-N 380.448 3.609 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 32889211 WVKIYFGFCGRWMN-APWZRJJASA-N 396.487 3.746 0 40 GHAB O=C(c1ccc2[nH]cnc2c1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38518856 JWFKRKSIOYHNIQ-UHFFFAOYSA-N 391.406 3.772 0 40 GHAB O=C1CSC(=O)N1[C@H]1CCCC[C@H]1NC(=O)C1(c2cccs2)CCCC1 38679611 UDLWWBYQXKNSGO-KGLIPLIRSA-N 392.546 3.683 0 40 GHAB Cc1cccc(CN2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c1 39758072 RSWUWXSJHLIAND-UHFFFAOYSA-N 395.522 3.695 0 40 GHAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2ccc(OC)c(O)c2)c1 40284905 WCFPILFOEKQVHZ-AWEZNQCLSA-N 395.415 3.727 0 40 GHAB CN(C(=O)[C@H]1CCCN(c2cnccn2)C1)C(c1ccccc1)c1ccccc1 45712449 CPAFHVWTGCYOCV-NRFANRHFSA-N 386.499 3.941 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(COCc2ccccc2)CC1 49028702 PEXCVCIBKKBZKK-VQHVLOKHSA-N 379.456 3.884 0 40 GHAB c1ccc(-c2nnc3ccc(NCc4cccc(Cn5ccnc5)c4)nn23)cc1 53558420 QMCUSRVUZRFJFJ-UHFFFAOYSA-N 381.443 3.648 0 40 GHAB CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)Cc1noc3ccccc13)C2 56907367 WEZIZPDBVKNYEY-UHFFFAOYSA-N 389.459 3.655 0 40 GHAB Cc1sc(=O)n(CC(=O)N[C@H]2C[C@@H]2c2ccccc2)c1-c1ccc(F)cc1 58292303 GROIITDDWOSQFY-MSOLQXFVSA-N 382.460 3.697 0 40 GHAB O=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)c1ccc(Cl)cc1 67206959 NWMDQBYQBUTQMV-UHFFFAOYSA-N 399.237 3.748 0 40 GHAB CC(C)CNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccc(F)c2)c1 68732637 GXHPOSPREOKBRV-UHFFFAOYSA-N 384.860 3.666 0 40 GHAB COc1ccc(F)c(CN2CCC(c3cc(O)nc(-c4cccnc4)n3)CC2)c1 72392796 QYUBBSXJUIEVPY-UHFFFAOYSA-N 394.450 3.772 0 40 GHAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCCN(C(=O)C2CC2)C1 72394122 MPYOYZBQRKCQFB-QHCPKHFHSA-N 396.487 3.774 0 40 GHAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 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377.853 3.879 0 40 GHAB CCc1c(C)n(CC(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3n2c1=O 20798340 FJRIBPHRDKVFGX-UHFFFAOYSA-N 394.862 3.812 0 40 GHAB CC1CCC(N(C)C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 25624566 CXUZJGOUWADIOS-UHFFFAOYSA-N 378.538 3.512 0 40 GHAB Cc1cc(CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)on1 12538623 DCJHKJUPAMVFST-UHFFFAOYSA-N 387.484 3.981 0 40 GHAB CCc1nnc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)s1 61719190 QMMBKJFNHOKWNL-UHFFFAOYSA-N 391.836 3.538 0 40 GHAB C[C@H](NC(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1Cl 26299437 AFEGMHVVRFRZAW-HOTGVXAUSA-N 397.910 3.791 0 40 GHAB COc1ccc(C)cc1CC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 12550143 YSAIWJCTQYMTKD-FQEVSTJZSA-N 383.879 3.839 0 40 GHAB CC(C)[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(C2CCCCC2)cc1 57463612 BPNIDODPKNXLBM-QFIPXVFZSA-N 383.536 3.619 0 40 GHAB Cn1cnnc1-c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 47992045 RHJNIEMDFZPBSA-UHFFFAOYSA-N 383.260 3.590 0 40 GHAB O=C(CNc1ccc2c(c1)CCC2)NC(=O)Nc1ccc(Br)cc1 58159950 LLFGVPNPMVRELO-UHFFFAOYSA-N 388.265 3.698 0 40 GHAB Cc1cc(C(=O)Nc2ccc(NCC3CCCC3)cc2)ccc1-n1cnnn1 58263862 VZYRQYGYKBVMEW-UHFFFAOYSA-N 376.464 3.825 0 40 GHAB CC[C@H](NC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O)C(=O)O 2117674 CTOQMBWDDNGOOI-INIZCTEOSA-N 399.443 3.667 0 40 GHAB biogenic CCCSc1nnc(NC(=O)c2ccc(OCc3nonc3C)cc2)s1 27795564 PUVVSUDZAFMQFB-UHFFFAOYSA-N 391.478 3.563 0 40 GHAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccccc1F)C[C@@H]1CCCO1 27990916 NTTVCMJRBHWNAD-INIZCTEOSA-N 399.393 3.893 0 40 GHAB Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cnn(-c2ccccc2F)c1 58697312 ZGXILFNXAVQRLY-UHFFFAOYSA-N 380.423 3.710 0 40 GHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)[nH]2)cc1 28787728 FAVQPPMVYCJLGL-GOSISDBHSA-N 378.432 3.590 0 40 GHAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2nc(-c3ccccc3)cs2)C1=O 12748115 VIABMQAVRRFODF-CQSZACIVSA-N 393.468 3.953 0 40 GHAB Cc1ccccc1/C=C/C(=O)Nn1cnc2scc(-c3ccco3)c2c1=O 12852718 IPTGMMPSWDQUBL-CMDGGOBGSA-N 377.425 3.810 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)c1ccccc1 12870180 JOOUHIZTPCUKGG-CYBMUJFWSA-N 390.281 3.756 0 40 GHAB Cc1cccc(OCCC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c1 3423048 RFSBNWRPNPWUTF-UHFFFAOYSA-N 381.259 3.826 0 40 GHAB CN(C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)[C@@H]1CCS(=O)(=O)C1 13006420 MSSYFBKABAJASD-BUUCAEBMSA-N 395.933 3.727 0 40 GHAB CCCc1ccc(S(=O)(=O)N[C@H](C(=O)O)C23CC4CC(CC(C4)C2)C3)cc1 3886930 XMFQXSDKZZIXBT-WRUMOOJNSA-N 391.533 3.587 0 40 GHAB COc1ccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cccc(OC)c4)c32)cc1 49543170 GLBLZQGHYCPISL-QGZVFWFLSA-N 392.411 3.667 0 40 GHAB biogenic Cc1cccc(C)c1-n1nnnc1S[C@H](C(=O)NC1CC1)c1ccc(F)cc1 14076016 XSCWTYQGOZWXIX-SFHVURJKSA-N 397.479 3.530 0 40 GHAB Cc1ccc(CNC(=O)NC2(C)Cc3ccccc3C2)c(O[C@@H]2CCOC2)c1 92289829 MMRMUNLWSLHCKE-HXUWFJFHSA-N 380.488 3.519 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2ccccc2n1 5635885 WZGQYWPPGKSFCL-UHFFFAOYSA-N 395.484 3.662 0 40 GHAB aggregator CCOC(=O)[C@H]1CCCN(c2nccn3nc(-c4ccc(C)cc4C)cc23)C1 67285070 DLHZUSITNGEHRC-KRWDZBQOSA-N 378.476 3.793 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1NC(C)=O 408560731 PQVIRLOKCMPKRE-UHFFFAOYSA-N 386.832 3.637 0 40 GHAB COc1cc(CCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(OC)c1 16310069 IBCSIDXRWSXMMY-FQEVSTJZSA-N 379.460 3.876 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(c2ncccn2)C1 9048468 VZBYBSNGTGHNHS-IBGZPJMESA-N 388.471 3.911 0 40 GHAB COc1ccc(C(=O)Nc2nnc(CCCc3ccccc3)s2)cc1OC 9227162 GQAPHRFQUXCKGS-UHFFFAOYSA-N 383.473 3.983 0 40 GHAB O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)N3CCCCCC3)ccc21 20765787 HFAXUMHIWDZPRF-UHFFFAOYSA-N 398.528 3.844 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1C 22331106 VQBKSGLFCMVOCG-OAHLLOKOSA-N 394.924 3.600 0 40 GHAB CCCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)c1 27581470 ZUYMVMKHPALDGH-JOCHJYFZSA-N 382.504 3.587 0 40 GHAB CCC(CC)(C(=O)N1CCC(C(=O)NCc2cccnc2)CC1)c1ccccc1 72304351 DVVYGOIDBYNLOC-UHFFFAOYSA-N 393.531 3.694 0 40 GHAB C[C@H](NC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N2CCOC2=O)cc1 84651557 LKYDPRDHUBJNCR-JTQLQIEISA-N 379.338 3.943 0 40 GHAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@H]1CSc2ccccc2O1 95393003 ABSJQUQJXYIPNY-GOSISDBHSA-N 387.476 3.543 0 40 GHAB Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)c1cccc2c1oc(=O)n2C 95975714 LYBVXLGWNGHSMP-UHFFFAOYSA-N 388.427 3.755 0 40 GHAB CCOc1ccc(-c2csc(NC(=O)c3ccc(CNC(N)=O)cc3)n2)cc1 95953010 QKLMUOMLZZTNQX-UHFFFAOYSA-N 396.472 3.629 0 40 GHAB Cc1cccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1C 409027947 HAGVNYGOQOAIFK-UHFFFAOYSA-N 382.485 3.861 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(COc2ccccc2F)o1 409385104 JDRCRTKPLXSTLS-UHFFFAOYSA-N 389.408 3.527 0 40 GHAB O=C1CN(C(=O)[C@@H]2C[C@H]2c2csc(Br)c2)Cc2ccccc2N1 529516217 ZJSOHPAHHZLQEL-QWHCGFSZSA-N 391.290 3.595 0 40 GHAB C[C@H]1[C@H](c2nc(-c3cccc(S(=O)(=O)N(C)C)c3)no2)[C@@H]1c1ccccc1 558361499 CSYKVTVMLKZTSX-BVGQSLNGSA-N 383.473 3.504 0 40 GHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc2ncsc2c1 32964089 KLMQYTSACFSLFI-UHFFFAOYSA-N 383.473 3.796 0 40 GHAB CCOc1cccc2sc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)nc12 35316751 WPIWDBJFIUQBMI-AWEZNQCLSA-N 395.484 3.995 0 40 GHAB O=C(NCCO)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc(F)cc2)C1 72352383 RWVOSAXBNXEMHH-INIZCTEOSA-N 398.503 3.752 0 40 GHAB Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1N(C)S(C)(=O)=O 222462706 KQCOFONOWNTCPJ-IBGZPJMESA-N 388.533 3.908 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=S)Nc1cc(C(=O)OC)ccc1C 225581981 HCQZEDCDZCRIDJ-KRWDZBQOSA-N 377.554 3.723 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1NC(=O)C(C)C 224009069 LXTNLIWUKSKPFC-UHFFFAOYSA-N 382.482 3.943 0 40 GHAB CCc1cc(I)ccc1NC(=O)c1ccc(N)c(C)c1 226269029 MQPXWYFKXDHVFO-UHFFFAOYSA-N 380.229 3.997 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)NCc1cccc(CN2CCCCC2)c1 224695603 JTRFDSDRQGJCJA-UHFFFAOYSA-N 380.488 3.650 0 40 GHAB O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 223370217 PHOKPDKCPUUYNL-UHFFFAOYSA-N 397.733 3.997 0 40 GHAB COc1ccc(-c2nnc(NS(=O)(=O)c3cc(C)ccc3C)s2)cc1 135992478 QVBHAWPFVXHSRX-UHFFFAOYSA-N 375.475 3.631 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSc1ccccc1 225682185 IOKYBYLYKPHYGJ-GOSISDBHSA-N 384.545 3.763 0 40 GHAB COCC(=O)n1nc(-c2cccs2)nc1NCc1c(F)cccc1Cl 199405633 AAJMEWTXBDVZLW-UHFFFAOYSA-N 380.832 3.698 0 40 GHAB CC(C)c1ccccc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 224167364 OWOKKDSVCGAYGR-UHFFFAOYSA-N 394.924 3.864 0 40 GHAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44852530 XAJDMVMWLBNLBV-QUCCMNQESA-N 384.495 3.930 0 40 GHAB COCCOc1ccc([C@@H](C)NC(=O)c2ccc(Br)o2)cc1OC 48361849 POXRSDDTWKNVOJ-LLVKDONJSA-N 398.253 3.567 0 40 GHAB CSCC[C@H](C(=O)N[C@H](CC(C)C)c1nnc2ccccn12)n1cccc1 575443620 YSZOQALJYPLPAQ-IAGOWNOFSA-N 385.537 3.729 0 40 GHAB COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)Nc1cccc(OC(F)F)c1 77200057 BSDUSFKWESTUEH-MRXNPFEDSA-N 394.349 3.731 0 40 GHAB Cc1nc(-c2cccc(NC(=O)N[C@H]3CCO[C@H](c4nccn4C)C3)c2)oc1C 578154621 IUZDUVZUQBYOFP-ROUUACIJSA-N 395.463 3.734 0 40 GHAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(CC1CCOCC1)CC2 96037047 LGKMYIVWRJYIIP-UHFFFAOYSA-N 394.563 3.603 0 40 GHAB Cc1ccc(-c2cccc(CC3(C(=O)N[C@@H](C)CO)CCOCC3)c2)c(C)c1 257198125 UDEWMJAMLOJCAW-IBGZPJMESA-N 381.516 3.807 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 252537073 KFQHJGUXFCKPET-OCKXMSAZSA-N 380.469 3.689 0 40 GHAB CCc1ccccc1NC(=O)CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257232207 GJVNZLIYFVBAIP-UPVQGACJSA-N 394.515 3.638 0 40 GHAB COCc1c(C(=O)N2CCOC[C@@H]2c2ccco2)sc2cccc(F)c12 604858615 KPRWBKMICKIGLL-CQSZACIVSA-N 375.421 3.994 0 40 GHAB CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)C1(C(F)F)CCC1)CC2 632646369 IOISNOBGSDXMPI-INIZCTEOSA-N 396.503 3.913 0 40 GHAB CN(Cc1ccc2c[nH]nc2c1)[C@@H]1CCCN(Cc2ccc3c[nH]nc3c2)CC1 660124832 KXQKQJJQGJOUDF-OAQYLSRUSA-N 388.519 3.926 0 40 GHAB O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2c(O)nc(N3CCCCC3)nc2N1 585655768 FZAJVMLLMMOKBI-CYBMUJFWSA-N 392.381 3.665 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)cc1 862197 GDMJTYFQOQGPBI-UHFFFAOYSA-N 388.880 3.875 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCC(C)C)cc1 5032051 QFTNZTMMZYAIQP-UNOMPAQXSA-N 386.879 3.892 0 40 GHAB COc1cc(/C=C/c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccccc1 5002282 VDBFVDHQVWEILM-CMDGGOBGSA-O 375.448 3.708 0 40 GHAB O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2)c1ccccc1 11613145 JTYYJAVSQDEZEK-UHFFFAOYSA-N 392.480 3.686 0 40 GHAB Cn1c(=S)n(CN2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21 14224738 HWCFYFMVIRPCES-UHFFFAOYSA-N 380.517 3.561 0 40 GHAB O=S1(=O)CC[C@@H](Sc2nc3c(c(-c4ccc(Cl)cc4)n2)CCCC3)C1 16429364 IVWYSMQZMJFADN-CQSZACIVSA-N 394.949 3.955 0 40 GHAB CCCN1CCN(CC2CC2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 19503053 SOKLGGDRXFGFLN-QHCPKHFHSA-N 377.532 3.872 0 40 GHAB COc1ccc(CCCC(=O)N2CCCCC[C@@H]3[C@@H]2CCN3C(C)=O)c(C)c1 19712333 GMVNPFPHBFPNIA-YADHBBJMSA-N 386.536 3.718 0 40 GHAB C[C@H]1CCCN(c2ncc(CN(Cc3ccccc3)C3CCN(C)CC3)cn2)C1 19715681 QDZYTGBTPMEHHW-FQEVSTJZSA-N 393.579 3.809 0 40 GHAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)nc1 1889192008 IDRURWSPWTUBCJ-INIZCTEOSA-N 393.413 3.937 0 40 GHAB Cn1ccnc1[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 17521545 VFYVRKAPUCPRAO-INIZCTEOSA-N 395.406 3.507 0 40 GHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(-c2ccc(F)cc2)o1 22462375 WAAIZBLQSNFBQM-UHFFFAOYSA-N 386.467 3.851 0 40 GHAB CNc1snc(C)c1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 27493246 BWDBXOJVCIVUQV-UHFFFAOYSA-N 387.292 3.511 0 40 GHAB CCN1Cc2ccccc2NC2(CCN(Cc3ccc(OC)cc3)CC2)CC1=O 2037985210 BKSCOUBROWOYGB-UHFFFAOYSA-N 393.531 3.894 0 40 GHAB Cc1noc(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)OCC(C)C)CC1 2056226406 QLFBBBBPFNEKKY-GOSISDBHSA-N 391.512 3.791 0 40 GHAB O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(c1ccccc1)c1ccccc1 4497435 MDDKIBQLDFNFAT-HXUWFJFHSA-N 388.442 3.879 0 40 GHAB COc1ccccc1C(=O)Oc1coc(CSc2nc(C)cs2)cc1=O 4518818 USUPTUOYVPPSKF-UHFFFAOYSA-N 389.454 3.925 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 5298922 KXEJQMKSHLZFPD-AWEZNQCLSA-N 398.937 3.810 0 40 GHAB Cc1ccccc1NC(=O)CSc1ccc(NC(=O)c2ccccc2F)nn1 11738815 FKZQWRZVQZFEJU-UHFFFAOYSA-N 396.447 3.907 0 40 GHAB Cc1ccccc1C(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575415090 ZNTOHNBDYQJFAK-SFHVURJKSA-N 377.893 3.650 0 40 GHAB O=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccc2c(c1)CCO2 575620671 RYTCUWQYHCSMIA-UHFFFAOYSA-N 395.484 3.622 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148999 PQTGJYCAPKOQQS-SFHVURJKSA-N 391.446 3.791 0 40 GHAB CC(C)Oc1ccc(C(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)cc1 575612364 LZMXJFPEWCYYPZ-HSZRJFAPSA-N 383.488 3.518 0 40 GHAB Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1cccnc1)n1nnnc1N2 10336910 ROXBQIJGDPDFAG-RTWAWAEBSA-N 398.401 3.767 0 40 GHAB CN1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)[C@@H](c2ccccc2)C1 30030801 JXAMDACGUFRPMN-HSZRJFAPSA-N 377.532 3.801 0 40 GHAB C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)c1nnnn1-c1ccccc1 40127881 OUDIJIQQYYUAER-SNVBAGLBSA-N 391.382 3.577 0 40 GHAB Cc1cc(O[C@H](C)C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)ccc1C(C)C 40143769 WLSNDCXCOJGZIJ-MRXNPFEDSA-N 393.487 3.781 0 40 GHAB Cc1cc(C(=O)COC(=O)c2csc(-c3ncccn3)n2)c(C)c(C)c1C 40150430 OUIPFOSMXYHURQ-UHFFFAOYSA-N 381.457 3.873 0 40 GHAB COc1ccc(O[C@@H](C)C(=O)N(C)Cc2ccc(Br)s2)cc1 11699455 IFWRLARHGGLOPK-NSHDSACASA-N 384.295 3.945 0 40 GHAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C(C)=O)cc2)cc1 676524 XHPZQXZVTLIYTQ-UHFFFAOYSA-N 396.472 3.518 0 40 GHAB Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 894342 FTBCLDZCHBFMDM-UHFFFAOYSA-N 388.880 3.778 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1ccccc1 905348 PGPBEEHSFFQMNA-UHFFFAOYSA-N 380.429 3.910 0 40 GHAB O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1ccccc1F 32032849 SVGGRTJSXKYGKU-UHFFFAOYSA-N 390.461 3.869 0 40 GHAB CC(C)n1ncc2c(C(=O)Nc3ccnn3Cc3ccco3)cc(C3CC3)nc21 32674885 SPPDWHZTQSTODM-UHFFFAOYSA-N 390.447 3.980 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)o1 4943119 MSBCKQOUAYBQLU-WDMOLILDSA-N 393.896 3.796 0 40 GHAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cs1 6681618 PGSJBDCFVOKPAY-UHFFFAOYSA-N 379.290 3.605 0 40 GHAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(C)c1 8272465 ACKGWBWMNWDCGQ-UHFFFAOYSA-N 382.485 3.716 0 40 GHAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1)NCc1ccccc1 8623584 DTCLIFALMFUEOR-SFTDATJTSA-N 389.499 3.816 0 40 GHAB biogenic,in-vitro CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)N3CCc4ccccc4C3)nnc12 100265509 MPWNLPHXDUWSFK-AOMKIAJQSA-N 394.544 3.724 0 40 GHAB O=C1c2ccccc2N[C@H](c2cn3ccccc3n2)N1c1ccc2c(c1)OCCO2 58440973 IZJQRHJWQZDCLI-QFIPXVFZSA-N 398.422 3.877 0 40 GHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1 9903572 ZGSPFZPZCDZLBH-UHFFFAOYSA-N 377.366 3.657 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(Cl)c1 940452 JWKWLZAOJKMJRT-SFHVURJKSA-N 395.850 3.868 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3cccnc3)c2C)c(C)c1 12545672 LJASGPXHINGMJS-UHFFFAOYSA-N 377.444 3.901 0 40 GHAB O=c1c2oc3ccccc3c2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 24424782 RLERCGWFBPHLEB-UHFFFAOYSA-N 378.775 3.894 0 40 GHAB C[C@@H](NC(=O)Cc1ccc(F)c(Br)c1)c1nc2ccccc2[nH]1 54128531 LCUVPUGGQDPHSP-SNVBAGLBSA-N 376.229 3.884 0 40 GHAB Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@H](C)c3cnn(C)c3C)c12 25002356 KQBPGISNWIWRRX-SNVBAGLBSA-N 381.461 3.793 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[C@@H](CN(C)CC2CC2)C1 106922618 NLOUWRGGBHCEKD-HIFRSBDPSA-N 384.351 3.984 0 40 GHAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1F 25928389 QJQQTOROTAKSDW-LJQANCHMSA-N 386.467 3.620 0 40 GHAB CCc1cc(Br)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 28232585 BKBAHMQGBFFXKR-UHFFFAOYSA-N 378.222 3.758 0 40 GHAB O=C(CN1CCc2ccccc2C1)N1N=C(c2ccco2)C[C@H]1c1ccco1 35380161 CUWXNCMFCKSONL-IBGZPJMESA-N 375.428 3.609 0 40 GHAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(C2CCCC2)C1 26905852 IHTNMYHTZNHLTK-IFMALSPDSA-N 376.500 3.878 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC=C(c3ccc(O)cc3)CC2)C1 57940648 CNYWKAJPUZBBIT-SFHVURJKSA-N 386.492 3.655 0 40 GHAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 58033985 XUKASYONQWGCKS-DYESRHJHSA-N 396.535 3.771 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1 12602233 KXUJXEIUACAABA-UHFFFAOYSA-N 388.638 3.728 0 40 GHAB O=C(N1CCC(n2nnc3c2CCCC3)CC1)C1(c2ccc(F)cc2)CCCC1 58168332 LTXAUOXNAHUHNG-UHFFFAOYSA-N 396.510 3.972 0 40 GHAB O=C(CCCc1nc2ccccc2s1)OCC(=O)N1CCc2ccccc21 3328790 VTFRIEDSKUNGPI-UHFFFAOYSA-N 380.469 3.752 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2N2CCOCC2)c(C)c1 12733671 OOAIIQJHCBSOGA-LJQANCHMSA-N 381.520 3.599 0 40 GHAB O=C(Nc1ncc2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O)c1ccc(F)cc1 2433531 MFTNAFTVBYUYQP-CQSZACIVSA-N 379.366 3.920 0 40 GHAB COc1ccc(-c2c(NC(=O)C(C)C)n(-c3ccccc3)nc(C)c2=O)cc1 2438370 OYSFQSGIVSSIJP-UHFFFAOYSA-N 377.444 3.811 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nnc(-c2ccco2)s1 48260334 WLCZZQNXYYPDGU-OAHLLOKOSA-N 380.429 3.701 0 40 GHAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC(C(=O)Nc2ccccc2)CC1 12930866 OEUHYXRXYSVUGK-AWEZNQCLSA-N 387.430 3.643 0 40 GHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc(Cl)ccc1Cl 12994752 NGHWDUQQTOWJDF-UHFFFAOYSA-N 379.287 3.756 0 40 GHAB CCc1nc(C)c2c(C)c(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)sc2n1 12913675 PJGVGQJBIFFQON-UHFFFAOYSA-N 396.516 3.890 0 40 GHAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)c(C)c1 13021738 PEEIIBIFVGHYAZ-GOSISDBHSA-N 394.471 3.897 0 40 GHAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C3(c2ccccc2)c2ccccc2)c1 17172934 QFVJDLKKABXQIM-SZPZYZBQSA-N 381.431 3.995 0 40 GHAB Cc1cc(-c2csc(S(=O)(=O)N3CC(O)=Nc4ccccc43)c2)on1 49549443 JZIFZBLGMXKDBC-UHFFFAOYSA-N 375.431 3.508 0 40 GHAB Cc1c([C@@H]2OC(=O)C3(CCCCC3)C(=O)C2(C)C)c(=O)n(-c2ccccc2)n1C 4313114 HGYKPBYEEWLLGP-SFHVURJKSA-N 396.487 3.628 0 40 GHAB COc1cccc2cc(/C=C/C(=O)N3CCN(Cc4ccccc4)CC3)oc12 14205174 ABJKGABDAVRCHB-ZHACJKMWSA-N 376.456 3.799 0 40 GHAB CCc1ccc(-n2ccc(=O)c(C(=O)Nc3cc(Cl)ccc3OC)n2)cc1 5451103 ZXVVMHWCOPLYAZ-UHFFFAOYSA-N 383.835 3.709 0 40 GHAB COc1ccc(C(=O)Nc2nn(C)c3nc4cc(C)ccc4cc23)cc1OC 5478121 KEQFHKAQLYIKNL-UHFFFAOYSA-N 376.416 3.699 0 40 GHAB CCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 6542239 MDHDIINOOQEXEG-UHFFFAOYSA-N 380.366 3.651 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3)[C@@H]2C(C)C)cc1 4778656 BOZCKUQFPXFNBS-FQEVSTJZSA-N 386.517 3.514 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccc(C(C)(C)C)cc2)c2ccccc21 4987849 NOWMZDIVVJLPIJ-DEOSSOPVSA-N 395.499 3.967 0 40 GHAB Cc1ccc(OCCN(C)C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)cc1 71060998 HKLULZMCOFYOHY-UHFFFAOYSA-N 398.894 3.997 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)O[C@H](C)C(=O)Nc1ccc(C)cc1 7315592 UAHYGZXUFYALTJ-IERDGZPVSA-N 392.455 3.829 0 40 GHAB COc1cc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cc(OC)c1O 7699787 AAPSWBGDGVEPFB-NTUHNPAUSA-N 384.457 3.742 0 40 GHAB O=C(Cc1ccccc1C(=O)O)Nc1cc(NC(=O)C2CCC2)ccc1Cl 71286138 GEGHGUUKRDZQKF-UHFFFAOYSA-N 386.835 3.958 0 40 GHAB CSc1nc2nc(C)c(CC(=O)Nc3cc(Cl)ccc3C)c(C)n2n1 7921469 XQQHDZNPIFJIRX-UHFFFAOYSA-N 375.885 3.606 0 40 GHAB Cn1ccnc1[C@H](Nc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccccc1 9318868 ZUFVOIVLAHHRCJ-LJQANCHMSA-N 399.433 3.890 0 40 GHAB CCOC(=O)N1CCN([C@H](c2cccnc2)c2c(C)[nH]c3ccccc23)CC1 19878994 ATNTWFJFUQKWTG-OAQYLSRUSA-N 378.476 3.735 0 40 GHAB C[C@@H](NC(=O)NCc1cccnc1-n1ccnc1)c1ccc2c(c1)CCCC2 26388681 RBZARPMWMKZJFG-MRXNPFEDSA-N 375.476 3.707 0 40 GHAB COC(=O)c1cc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C)cc(C)c1C 95393506 ZTWJEENIDJOFRV-UHFFFAOYSA-N 378.432 3.540 0 40 GHAB C[C@@H](NCc1ccc(Cn2cncn2)cc1)[C@H]1CCCCN1C(=O)OC(C)(C)C 95996227 WUYUBSFUXRSZCJ-YLJYHZDGSA-N 399.539 3.594 0 40 GHAB Cc1nc2cc(C(=O)Nc3ccc(I)cc3)ccc2n1C 408731719 PIOGKFVQKLSPIE-UHFFFAOYSA-N 391.212 3.739 0 40 GHAB O=C(CCC(=O)c1ccc(Br)cc1)Nc1ccc(C(=O)O)cc1 408825264 JKLQPWSILBDKPB-UHFFFAOYSA-N 376.206 3.749 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H](c1cccc(F)c1)N(C)C 37123976 PSARKFXUHJVERP-FGZHOGPDSA-N 395.478 3.509 0 40 GHAB O=S(=O)(c1cnn(C(F)F)c1)N(Cc1ccccc1)Cc1ccccc1 36615120 BLBSMRULSWGTNF-UHFFFAOYSA-N 377.416 3.669 0 40 GHAB O=C([C@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCc2cc(O)ccc2C1 1515043075 PRDOKZGUHCMQFJ-IRXDYDNUSA-N 377.362 3.979 0 40 GHAB Cc1nnc(CN(Cc2ccccc2)S(=O)(=O)c2cccc(Cl)c2)s1 540195300 ZFQGTDGMUQLOSD-UHFFFAOYSA-N 393.921 3.891 0 40 GHAB CCc1ccc(NS(=O)(=O)c2ccc(OC)c(-c3noc(CC)n3)c2)cc1 35538863 ZXQUUYQULGCICZ-UHFFFAOYSA-N 387.461 3.671 0 40 GHAB O=C(Cc1ccncc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 72358838 QEPHTZWUJYUWFZ-SFHVURJKSA-N 376.435 3.626 0 40 GHAB Cc1ccc(C)c(NC(=O)c2sc3ncn(C[C@H]4CCCO4)c(=O)c3c2C)c1 35673379 DSLRNUCILGINLO-OAHLLOKOSA-N 397.500 3.815 0 40 GHAB CC(C)(C)NC(=S)Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1 225896837 OMTGSJMOMDNNRA-UHFFFAOYSA-N 375.929 3.778 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 222967324 ASAZWATUTSARGT-HXUWFJFHSA-N 384.545 3.949 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220522017 XOXZHNJQGQVESH-BEFAXECRSA-N 392.496 3.556 0 40 GHAB CCOc1ccc(CCC(=O)NCCOc2ccc(F)cc2)cc1OCC 224395269 QYASQTKNBCDADE-UHFFFAOYSA-N 375.440 3.751 0 40 GHAB CN1CCN(CC2=CC(C)(C)N(C(=O)c3ccccc3)c3ccccc32)CC1 575472961 HFYWQTOUENGAEM-UHFFFAOYSA-N 375.516 3.756 0 40 GHAB O=C(NC[C@]1(O)CCOc2ccccc21)C1(c2ccc(Cl)cc2)CCCC1 77099964 HJQGVZNPRZTQFC-JOCHJYFZSA-N 385.891 3.938 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 223649923 VTXMZWVRCREFEX-UHFFFAOYSA-N 376.503 3.645 0 40 GHAB Cc1cccc(N(CCCC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1C 222626688 ZMCBJLSUPATOTC-UHFFFAOYSA-N 388.533 3.508 0 40 GHAB Cc1cc(OCC(=O)NCCOCc2ccccc2)cc(C)c1Br 224244101 DQXRFAUVYULJJM-UHFFFAOYSA-N 392.293 3.778 0 40 GHAB Cc1ccc(-c2noc(CNC(=O)COc3ccc4c(c3)CCCC4)n2)cc1 224632701 JJQCHGNNZLPFEO-UHFFFAOYSA-N 377.444 3.619 0 40 GHAB CC(C)NC(=S)Nc1nc(N2C[C@H](C)C[C@@H](C)C2)cc(C(F)(F)F)n1 225890057 APNPXXFYXAJTAY-GHMZBOCLSA-N 375.464 3.673 0 40 GHAB CC(C)(CNC(=O)N[C@H]1c2ccccc2CC12CCOCC2)c1cccnc1 577203680 IBXVIUXQJHAYFA-FQEVSTJZSA-N 379.504 3.753 0 40 GHAB CC(C)c1ccc(O)c(C(=O)N[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)c1 257300426 RUESGBLLEMYYRI-CEMLEFRQSA-N 383.488 3.997 0 40 GHAB COc1ccccc1CC(=O)N1CC[C@H](c2c(C(N)=O)sc3ccccc23)C1 257305939 SSECLLOWAPWVQN-HNNXBMFYSA-N 394.496 3.567 0 40 GHAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cccnc2NC)C1 257245098 IOBMWTIKOJVVCP-AWEZNQCLSA-N 380.517 3.687 0 40 GHAB CCc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 260587972 CZFDRFWDICPKTP-IAGOWNOFSA-N 388.533 3.589 0 40 GHAB CN(C)C(=O)c1cc(NC(=O)NCc2cccc(OC3CC3)c2F)ccc1F 666289856 SRQOWMYFLXYJQV-UHFFFAOYSA-N 389.402 3.530 0 40 GHAB C[C@H]1CN(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CC[C@H]1C(=O)O 630555652 FXMMNOQYDPYZKT-GXFFZTMASA-N 395.431 3.587 0 40 GHAB O=C(NCCn1ccc(-c2cccs2)n1)c1ccc(OC(F)(F)F)cc1 96103859 UJZDJSZPRGNRML-UHFFFAOYSA-N 381.379 3.940 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390831998 WNZVDDSTNQNFLZ-VYENPZKTSA-N 389.904 3.742 0 40 GHAB CC(C)Cc1ccc([C@@H](NC(=O)CCN2CCOC2=O)c2cccs2)cc1 55135229 KHGDPLITZBYISD-HXUWFJFHSA-N 386.517 3.995 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccccc3-n3ccnc3)c12 55696380 FGIXUTDJQGAGBQ-UHFFFAOYSA-N 399.410 3.907 0 40 GHAB C[C@@]1(C(F)F)CN(C(=O)N[C@@H]2CCc3c(Br)cccc32)CCO1 663955829 VIIRIFKXADPBKO-CJNGLKHVSA-N 389.240 3.502 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549167257 NAANQTVWJCVKJX-UHFFFAOYSA-N 384.863 3.679 0 40 GHAB CC(=O)Oc1ccc(C(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc1 5976369 AQWBMOFRPHRQHJ-UHFFFAOYSA-N 397.210 3.724 0 40 GHAB CC(C)(C)Nc1c([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc2ccccn12 12088126 UOSMQYZGHWGRIB-QGZVFWFLSA-N 377.492 3.960 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1nccc2ccccc12)c1ccc(F)c(F)c1 12115025 YVICVJGWXXGGMI-SFHVURJKSA-N 378.382 3.766 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)[C@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2ccccc2O1 12122325 ORISSLNKJICDTB-UEPHDAALSA-N 391.467 3.933 0 40 GHAB C[C@H]1C[C@H]1C(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccncc2)cc1 12221998 NBHAQDDWJKFJNF-HNAYVOBHSA-N 387.487 3.544 0 40 GHAB O=C(Cc1csc(-c2ccccn2)n1)N1CCCC[C@@H]1CN1CCCCC1 12360926 MXOQLEQIWCPQOZ-GOSISDBHSA-N 384.549 3.615 0 40 GHAB CC(=O)N[C@@H](C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1)C(C)C 12865556 KIOVWXZVMHFYEV-MRXNPFEDSA-N 379.913 3.795 0 40 GHAB CCOc1ccccc1C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C 19520139 FPQQTVQWLWFJME-KCZVDYSFSA-N 382.479 3.927 0 40 GHAB CNc1nc(C)c(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)s1 19560899 GVJDOMRGEIMWCZ-INIZCTEOSA-N 375.494 3.782 0 40 GHAB Cc1nn(C)cc1-c1csc(NC(=O)CN2CCC(c3ccccc3)CC2)n1 19661248 WBIGZEZZCZLJTK-UHFFFAOYSA-N 395.532 3.670 0 40 GHAB CC1=C2C[C@@H]3[C@@H](CNCc4ccc5c(c4)OCO5)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4043238 XSVXDDWVCLSCAX-NTWJOZFCSA-N 383.488 3.963 0 40 GHAB biogenic Cc1ccc(OCCN(C)Cc2c(C3CCNCC3)[nH]c3ncccc23)cc1 19211057 CITHRXWJYFDGPY-UHFFFAOYSA-N 378.520 3.849 0 40 GHAB CC(C)(C)NC(=O)[C@@H]1CCN(c2nc3ccc(Br)cc3s2)C1 1889130307 ZRQPDBKXKMJBGW-SNVBAGLBSA-N 382.327 3.800 0 40 GHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 29597777 TXUKVVDUCZWXEL-OXQOHEQNSA-N 398.478 3.953 0 40 GHAB CCS(=O)(=O)Nc1cccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1 30221945 ZEHLEVCETOXJGE-UHFFFAOYSA-N 398.484 3.884 0 40 GHAB COc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1OC 5136393 KFWZRRSHDSNJDG-UHFFFAOYSA-N 396.487 3.820 0 40 GHAB COc1ccc(CC(=O)Nc2nnc(-c3ccc(Br)s3)o2)cc1 11695482 LTHPJDCRZRWNRQ-UHFFFAOYSA-N 394.250 3.750 0 40 GHAB O=C(CN1CCN(c2ccccc2)C1=O)N1CCS[C@@H](c2ccccc2)CC1 208042970 QLGCMSNIBLZZFM-HXUWFJFHSA-N 395.528 3.635 0 40 GHAB COc1ccc(OC)c(NC(=S)N2CCn3cccc3[C@@H]2c2ccncc2)c1 4059468 SFHXARPUFSIUPN-FQEVSTJZSA-N 394.500 3.702 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)cc2)N2C(=O)CSC2=N1 5942472 WFJYUPGJRKPOJL-IBGZPJMESA-N 377.469 3.894 0 40 GHAB O=C(CSc1ccc(F)c(F)c1)N1CCC[C@@H](c2nnc3ccccn23)C1 40011995 ZZRADVPLAQBJMF-CYBMUJFWSA-N 388.443 3.506 0 40 GHAB Cc1cc([C@@H](C)NC(=O)[C@H](NC(=O)COc2ccccc2)C(C)C)c(C)s1 40080914 UAYPFNLOWNUYCW-FOIQADDNSA-N 388.533 3.762 0 40 GHAB CC(=O)N1CCC(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 40005477 XIBGOSFNZGFMLH-JOCHJYFZSA-N 375.472 3.692 0 40 GHAB COc1ccc(NC(=O)c2sc(N(CC(C)C)C(C)=O)nc2C)c(OC)c1 40284321 CQBRVQJOMTUYQB-UHFFFAOYSA-N 391.493 3.730 0 40 GHAB CN(C)CCOc1cccc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 59350423 NPPVTZJDRCWNQQ-UHFFFAOYSA-N 391.515 3.917 0 40 GHAB O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H]1c1nnc2ccccn12 29076931 QDFAGXLQOXPBGN-CYBMUJFWSA-N 381.486 3.892 0 40 GHAB COc1ccc2c(c1)c(C(=O)N[C@H](c1nnc3ccccn13)C(C)C)c(C)n2C 20745699 RYJGGFGLGAZDSE-FQEVSTJZSA-N 391.475 3.665 0 40 GHAB Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 3597971 AMKVALYHBAOIOT-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(C)c(C)c1 4855234 FDIDDBRDXGTNIW-UHFFFAOYSA-N 395.532 3.907 0 40 GHAB CCc1cc2c(SCC(=O)Nc3ccccc3C(=O)OC)ncnc2s1 6619415 DCFSDIKEGLLLNP-UHFFFAOYSA-N 387.486 3.771 0 40 GHAB COc1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 6967269 IGMOTYXAMKIYFX-KGENOOAVSA-N 387.439 3.887 0 40 GHAB Cc1cccc(OCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 7688304 ZZYROGDPDCHJCC-UHFFFAOYSA-N 382.441 3.907 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 8241531 VAMGJTYNDQXCNY-PBHICJAKSA-N 381.501 3.820 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc(C(=O)OC)ccc1Cl 8497768 BVWKWMYLDJUUOM-OAHLLOKOSA-N 377.824 3.931 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1C 8497810 RAQAQQLLCVUNFI-PKOBYXMFSA-N 396.487 3.618 0 40 GHAB Cc1cccc2c(=O)[nH]c(CSc3nc(/C=C/c4ccccc4)n[nH]3)nc12 32893512 JVVWFBFMVJRSAP-ZHACJKMWSA-N 375.457 3.812 0 40 GHAB Clc1ncn(C23C[C@H]4C[C@@H](CC(c5nnc(-c6ccncc6)o5)(C4)C2)C3)n1 102444017 DTTZTBPWHLVJAH-IJKBLAIYSA-N 382.855 3.624 0 40 GHAB O=C(CCCOc1cccc(Br)c1)NCc1ccc2c(c1)OCO2 2618083 QJRUYQRKMPPJOD-UHFFFAOYSA-N 392.249 3.653 0 40 GHAB COc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)cs1 11904356 PPLPLAXQLPWQRC-LLVKDONJSA-N 395.440 3.790 0 40 GHAB Cc1ccc(N(C(=O)C2C3CC4CC(C3)CC2C4)[C@@H]2C=CS(=O)(=O)C2)cc1 2725729 MSCPFUBDWAGHDU-SGRZJPDBSA-N 385.529 3.711 0 40 GHAB CN(C)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 21768204 NKPZLCKLCXDYKB-UHFFFAOYSA-N 394.496 3.784 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)cc1 2705701 DZBVLURRHFZDOZ-UHFFFAOYSA-N 375.472 3.925 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2c3c(nc4ccc(C)cc24)CCCC3)C1 33005277 ISKWIGFRZIPCQM-MRXNPFEDSA-N 380.488 3.837 0 40 GHAB CC(C)c1ccc(OCC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 8349837 DUILJLLPKXIHOZ-KRWDZBQOSA-N 378.476 3.989 0 40 GHAB C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccncc1 22622251 JFLJUDJBRZJDFR-AWEZNQCLSA-N 399.447 3.513 0 40 GHAB COc1ccccc1-c1nnc2ccc(Oc3c(OC)cccc3OC)nn12 12391001 ILLDHNZPJIGVHJ-UHFFFAOYSA-N 378.388 3.609 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)n2)cc1OC 12462970 AOMRFBUBFPUMQG-UHFFFAOYSA-N 391.427 3.912 0 40 GHAB biogenic,in-vitro Cc1cc(C(=O)NCCc2ccccc2C(F)(F)F)c2c(C)nn(C)c2n1 54196972 QLZOIGRNZJIHPF-UHFFFAOYSA-N 376.382 3.576 0 40 GHAB CCC(=O)N1[C@@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1ccccc1OC 3028510 IYQGTJWDLAMAKB-DYESRHJHSA-N 378.428 3.514 0 40 GHAB O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccccc1O 54360730 FATUCIDGVFUMPN-WJDWOHSUSA-N 386.404 3.596 0 40 GHAB O=C(c1cccc2cccnc12)N1CCN(Cc2c(F)cccc2Cl)CC1 23865303 INHWHQHFBFOGCJ-UHFFFAOYSA-N 383.854 3.985 0 40 GHAB O=C1C[C@H](Sc2nc3ccccc3s2)C(=O)N1c1ccc(F)c(F)c1 104346345 AEGVZGRMBDEYPN-AWEZNQCLSA-N 376.409 3.999 0 40 GHAB Cc1ccc(SCC(=O)NCc2ccc(CN3CCOCC3)cc2)c(C)c1 24336128 RGEZFZSXMUZGNA-UHFFFAOYSA-N 384.545 3.544 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 12541946 NXPANUCXOYORTM-UHFFFAOYSA-N 379.431 3.650 0 40 GHAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN(Cc2ccccn2)CC1 12516576 HUNYHGMLUPFWJL-UHFFFAOYSA-N 385.467 3.664 0 40 GHAB COc1cc([C@H](C)NC(=O)Nc2nnc(C)s2)ccc1OCc1ccncc1 47939147 PPMULEGYKMOMHN-LBPRGKRZSA-N 399.476 3.712 0 40 GHAB Cc1cc(CS(=O)(=O)c2nc(C)c(C)n2[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)on1 107342074 BOLGUMXMXLLPST-CVYDXHPNSA-N 377.510 3.767 0 40 GHAB Cc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)cc1Cl 10408650 YBTWNXATFAXLMP-UHFFFAOYSA-N 386.926 3.749 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccsc2c1=O 57425176 ZNQGLOANQCQDLZ-UHFFFAOYSA-N 389.502 3.607 0 40 GHAB CCOc1ccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(CC)cc2=O)cc1 57508068 JDRDHQQKKRRRRA-UHFFFAOYSA-N 395.434 3.649 0 40 GHAB CCCCn1c(=O)[nH]c2cc(-c3nc(-c4ccccc4C)no3)ccc2c1=O 57510603 OASZULIJJGSKOC-UHFFFAOYSA-N 376.416 3.515 0 40 GHAB CCOC(=O)N1CCN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 44774484 HJVHZVJXARKWBY-JKSUJKDBSA-N 399.516 3.647 0 40 GHAB COc1ccc(NC(=O)CCCn2cnc3c(C)cccc3c2=O)cc1Cl 10412537 YCNIFTHVXDUJMM-UHFFFAOYSA-N 385.851 3.786 0 40 GHAB Cc1ccc([C@@H](NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 2227147 HVERMCHFBRXIGA-VGSWGCGISA-N 398.462 3.885 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)c1 12757733 YOVBPTITWOALFN-CABCVRRESA-N 397.471 3.958 0 40 GHAB CCCn1nc(C(=O)NCCCO[C@@H](C)c2ccccc2)c2ccccc2c1=O 12773276 MCHCMECFTAXZLW-KRWDZBQOSA-N 393.487 3.704 0 40 GHAB CCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 2413320 ZLUJPNFYERCGQF-OTOIZHKDSA-N 378.472 3.731 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1ncccn1 2418963 CDEROPFDDIAWJX-KRWDZBQOSA-N 389.798 3.986 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Cl)C2)s1 12808474 RXBQWURFQSYWNT-CYBMUJFWSA-N 398.937 3.749 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3C(=O)c3cccs3)cc2NC1=O 12814786 FFWMRNLNPUIWPF-LBPRGKRZSA-N 392.436 3.951 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccs2)cc1 12801892 COBSHIAPOGFLRE-LJQANCHMSA-N 386.498 3.774 0 40 GHAB COc1ccc2c(C)c(CCC(=O)OCc3nc4ccccc4o3)c(=O)oc2c1 12835685 CYFISLRNDKTDQQ-UHFFFAOYSA-N 393.395 3.927 0 40 GHAB CC[C@@H](C)NC(=O)COC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl 3451382 SNOUPVXWWXWJNW-LLVKDONJSA-N 398.290 3.618 0 40 GHAB CNC(=O)[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)c2ccccc2O1 24221250 XURCPOLAONYLFP-LJQANCHMSA-N 396.830 3.754 0 40 GHAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC(Cc2ccccc2)CC1 17166572 OQKSQBIBRMIMFT-UHFFFAOYSA-N 393.455 3.778 0 40 GHAB CN(Cc1cccc(Cl)c1)C(=O)Cn1c(S)nnc1-c1cccs1 13001877 QHVFKRGPHZRMGX-UHFFFAOYSA-N 378.910 3.607 0 40 GHAB COCCCNC(=O)c1c(NC(=O)[C@@H]2CC=CCC2)sc2c1CCCC2 24641188 ZKOLNBQVXSWSRW-CQSZACIVSA-N 376.522 3.688 0 40 GHAB Cc1cc(=O)[nH]c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 13403066 PQSIZRKMTQCFOJ-UHFFFAOYSA-N 378.668 3.769 0 40 GHAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2c(C)[nH]c3ccccc23)C1=O 4305684 DCYGMCDJYSRDRX-JOCHJYFZSA-N 375.428 3.516 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2C)c1 4374006 XRRORJCZZNYMEY-UHFFFAOYSA-N 380.897 3.931 0 40 GHAB CCC1=NN(C(=O)NS(=O)(=O)c2ccccc2Cl)[C@@H](c2ccccc2)C1 5296988 AWRVOAVLSUWBIY-MRXNPFEDSA-N 391.880 3.951 0 40 GHAB Cc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)N1CCCCCC1 6449928 IJJDCKNTTPMXHO-UHFFFAOYSA-N 378.519 3.874 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(Cl)ccc3F)sc2c1 14185064 GOLZZCJNXXRDKW-UHFFFAOYSA-N 384.841 3.745 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCSc4ccc(F)cc43)ccc12 14182210 FBQCUDQWHZKINU-QGZVFWFLSA-N 399.443 3.973 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 14429830 OMIFYULXGKCBRI-UHFFFAOYSA-N 375.343 3.647 0 40 GHAB COc1ccc(-c2nnc(S[C@@H](C(N)=O)c3ccccc3)n2C(C)C)cc1 8748448 LNXNBVDWRSNKHQ-QGZVFWFLSA-N 382.489 3.853 0 40 GHAB Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 7109186 MDUCTDYAJKROME-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB Cc1nnc(SCC(=O)N(Cc2ccccc2)Cc2ccco2)n1C1CC1 7533693 CLLKSFJAFIJTSK-UHFFFAOYSA-N 382.489 3.836 0 40 GHAB CC(C)Cn1cc(C(=O)Nc2nnc([C@H]3CCCO3)s2)c2ccccc2c1=O 71284699 KNJCPOZEIMESHA-MRXNPFEDSA-N 398.488 3.613 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@@H](C)c2ccccn2)cc1 8025671 SJMARHAOXXHKRA-HNNXBMFYSA-N 384.439 3.580 0 40 GHAB O=C(C[C@H]1SC(NNc2ccccc2)=NC1=O)Nc1cccc2ccccc12 8270534 XLUOPGVULLJVJQ-GOSISDBHSA-N 390.468 3.783 0 40 GHAB CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CCCS(C)(=O)=O 96012098 HTWREWOZPALJCZ-SFHVURJKSA-N 392.565 3.560 0 40 GHAB COc1ccc(CCCN(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1OC 9315365 ZFDHJYBOZKDOOX-UHFFFAOYSA-N 377.506 3.574 0 40 GHAB C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(N2CCOC2=O)cc1 71831331 OZZLXBVFWFUSPN-LBPRGKRZSA-N 396.415 3.813 0 40 GHAB O=c1c2c(-c3ccccc3)csc2ncn1C[C@H](O)COCc1cccs1 9690499 JUGUUBXJPDTFKT-HNNXBMFYSA-N 398.509 3.764 0 40 GHAB COc1ccc([C@H](CNC(=O)Nc2nc3c(s2)C[C@H](C)CC3)N(C)C)cc1 72280725 LMKZIIDTYCQOJN-DYVFJYSZSA-N 388.537 3.701 0 40 GHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)s1 409221074 KMYYHBRDHVNXOI-RIYZIHGNSA-N 376.434 3.871 0 40 GHAB CO[C@H](C)c1noc(CN(C)C(=O)c2cccc(OCc3ccc(F)cc3)c2)n1 72311335 RLQOPTFLMQYNOC-CQSZACIVSA-N 399.422 3.767 0 40 GHAB COc1ccc(C2(C(=O)NCCc3c[nH]c4ccc(F)cc34)CCOCC2)cc1 72402195 NXVANTDDIIGCDD-UHFFFAOYSA-N 396.462 3.723 0 40 GHAB COc1ccc(CN2C(=O)c3ccccc3N[C@]23C(=O)N(C)c2ccccc23)cc1 72448807 DRWMVJORJHUMBD-DEOSSOPVSA-N 399.450 3.593 0 40 GHAB C[C@H](NC(=O)c1csc(-c2ccccn2)n1)c1ccc2c(c1)CCC(=O)N2 84651737 LUSLFIWAQCGROE-LBPRGKRZSA-N 378.457 3.581 0 40 GHAB Cn1cnnc1C1CCN(C(=O)Nc2ccccc2SC(F)(F)F)CC1 89761923 HWVPFKMRYSHENC-UHFFFAOYSA-N 385.415 3.839 0 40 GHAB Cc1cc(C)c(NC(=O)CNc2cnn(-c3ccccc3)c(=O)c2Cl)c(C)c1 30599086 SQKMNNFODLHQNK-UHFFFAOYSA-N 396.878 3.862 0 40 GHAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1NC(=O)c1ccccc1 408607765 OFXJQPNMQKKPNA-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB Cc1nc2c(-c3cccs3)nc(=O)n(CC(=O)Nc3ccccc3)c2s1 32615811 HENCZWZLAZYEPE-UHFFFAOYSA-N 382.470 3.529 0 40 GHAB CSc1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c1 408597221 XYJIWHVIMKWIGB-UHFFFAOYSA-N 391.518 3.837 0 40 GHAB COc1ccc(NC(=O)CC2(Cn3cccc3)CCCCC2)cc1-c1nn[nH]n1 524734255 NJSMTRGCNSQPON-UHFFFAOYSA-N 394.479 3.656 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(-n4ccnc4C)n3)C2)cc1 72378841 OXLNDJXAIFFTPQ-LJQANCHMSA-N 390.487 3.533 0 40 GHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CN1CCN(c3ccccc3F)CC1)C2 35590756 VVIPELLXSTTWQD-PGCKSFNISA-N 390.543 3.540 0 40 GHAB O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(C(=O)C2CC2)CC1 8984489 SEVNSCPJWKQUPQ-UHFFFAOYSA-N 393.270 3.948 0 40 GHAB CC(C)c1ccc(N2C(=O)C[C@H](N3CCc4c([nH]c5ccccc45)C3)C2=O)cc1 38830218 JTCVFMADQAXVLW-QFIPXVFZSA-N 387.483 3.982 0 40 GHAB biogenic O=C(CN1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1)Nc1nccs1 72358597 KJPAPYBUBKSJLD-OAHLLOKOSA-N 397.479 3.557 0 40 GHAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 223590550 UCFWZLDUJKAOAT-OALUTQOASA-N 397.525 3.791 0 40 GHAB FC(F)(F)c1cc(N2CCCCC2)nc(NC(=S)NCc2ccccc2)n1 225929238 DOCQXPOPUVCPIR-UHFFFAOYSA-N 395.454 3.972 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 225364579 FUCWTSVCSJGWPT-QFIPXVFZSA-N 396.531 3.961 0 40 GHAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223305120 ZAHAJTIZRVCRBP-DBVUQKKJSA-N 384.549 3.671 0 40 GHAB CCN(c1ccc(C(=O)NCc2cccc3ccccc23)cc1)S(=O)(=O)CC 222888930 JPYHHONGQVRGOF-UHFFFAOYSA-N 396.512 3.946 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 225043515 LUVXUSAROLZJPT-RBUKOAKNSA-N 396.531 3.878 0 40 GHAB O=C1CCCN1Cc1ccc(CNC(=S)Nc2c(F)cccc2F)cc1 225649241 YLJATQHYHDVWAV-UHFFFAOYSA-N 375.444 3.574 0 40 GHAB COc1ccc(CNC(=S)Nc2ncc(Br)cc2Cl)cc1 223924481 ZZTQNLNDGVYOGK-UHFFFAOYSA-N 386.702 3.993 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc(CN2CCCCC2)cc1 44874807 FPTZAPMWBWACTH-UHFFFAOYSA-N 392.952 3.946 0 40 GHAB Cc1nn(-c2cccc(F)c2)cc1C(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2 572845699 WQGAIJPEHSPFKD-OALUTQOASA-N 393.466 3.604 0 40 GHAB CCSc1ccccc1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222463087 QPLZZMDGBIFTSC-UHFFFAOYSA-N 378.519 3.755 0 40 GHAB Cn1cc(-c2ccc3cc(C(=O)NC4CCCC4)c(-c4cocn4)n3c2)cn1 96267043 CFFXQQJAYDXHNX-UHFFFAOYSA-N 375.432 3.667 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21 96241943 NCFFTYNWMKIYNN-QGZVFWFLSA-N 380.488 3.856 0 40 GHAB CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCOc3ccc(C)cc3C2)cc1 585082308 AGDNGKVQQVLFBV-GOSISDBHSA-N 381.472 3.705 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)O)C1 257197981 OYXNLVINNFCCPS-OAQYLSRUSA-N 386.448 3.986 0 40 GHAB CO[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1ccc(C)s1 96104810 DRJWKJIQITUXGM-SECBINFHSA-N 396.353 3.547 0 40 GHAB CCc1cccc2c(C3CCN(C(=O)[C@@H]4CCCN(C(=O)OC)C4)CC3)c[nH]c12 104302122 BVAAAJMYIKDCPZ-GOSISDBHSA-N 397.519 3.915 0 40 GHAB Oc1c(Cl)cc(-c2nc3cnccn3c2NC[C@H]2CCCO2)cc1Cl 12113832 MKSNNKZSCDYMDH-LLVKDONJSA-N 379.247 4.000 0 40 GHAB COc1ccc(CN(Cc2ccc3nccnc3c2)C[C@@H]2CCCO2)cc1OC 13994201 RXTQRYCKKPGRCT-IBGZPJMESA-N 393.487 3.828 0 40 GHAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 16491382 UEKLNBZZEAJNDP-UHFFFAOYSA-N 390.480 3.788 0 40 GHAB Cc1cccc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 16737411 CJDSWGHAULCHAJ-UHFFFAOYSA-N 384.423 3.525 0 40 GHAB Cc1cccc(CC(=O)N2CCC(c3nnc(-c4scnc4C)o3)CC2)c1 19234652 HZZROZQSSPELGV-UHFFFAOYSA-N 382.489 3.759 0 40 GHAB O=C1NCCN(C(=O)c2ccccc2)C[C@@H]1Cc1cccc(-c2ccccc2)c1 19374231 RLNGRMYENUVEAQ-QHCPKHFHSA-N 384.479 3.785 0 40 GHAB CCn1nc2c(c1C(=O)N(CCc1ccccc1)C1CCN(C)CC1)CCCC2 19524084 ITZPOIVOAAUIGX-UHFFFAOYSA-N 394.563 3.561 0 40 GHAB COc1ccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 19555290 KJRNURKZTIJBJN-HXUWFJFHSA-N 376.460 3.568 0 40 GHAB Cc1noc(C)c1CC(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 19580459 CHQJOEXCNMHSBU-FQEVSTJZSA-N 392.455 3.705 0 40 GHAB COc1cccc2cc(C(=O)N3CCC(Cn4ccnc4C)CC3)c(C)nc12 19714388 OOWNEQKLHOJWTP-UHFFFAOYSA-N 378.476 3.609 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 19931922 RRCBGWGIANSDQU-ZDUSSCGKSA-N 389.473 4.000 0 40 GHAB O=C(CCc1ccccc1)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12256367 FRVFRHPEULKYJC-UHFFFAOYSA-N 388.471 3.583 0 40 GHAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 23763802 ALLKNLMLWVDNNG-KBXCAEBGSA-N 377.444 3.592 0 40 GHAB COC(=O)c1cccc2c1CCCN2C(=O)CCc1c(C)nc(SC)nc1C 25193148 CLAUAISAPONUTC-UHFFFAOYSA-N 399.516 3.514 0 40 GHAB CN1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccno1 2037784264 KIZXXTADNOKYRW-VQYHNWKHSA-N 379.504 3.763 0 40 GHAB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)cc1C 4106207 BLMPQZDBKSOXPN-HHHXNRCGSA-N 383.448 3.643 0 40 GHAB Cc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc1 5188854 OVUVJDRWBXBHMF-UHFFFAOYSA-N 394.905 3.979 0 40 GHAB Cc1cccc(-n2ccnc(SCC(=O)Nc3ccc(Cl)cc3)c2=O)c1 7615770 HYPKDDJMBDDZQI-UHFFFAOYSA-N 385.876 3.925 0 40 GHAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(s2)CCCC3)cc1 10218481 XDUFPAXUKUHBFN-UHFFFAOYSA-N 378.519 3.523 0 40 GHAB CCc1ccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2C)cc1 15731608 CKCUODNQASVLAV-UHFFFAOYSA-N 375.388 3.584 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)Nc1ccc2c(c1)OCO2 1775966836 FIYYZZFXALTVHG-QGZVFWFLSA-N 382.441 3.999 0 40 GHAB Cc1cc(C)cc(N2C(=O)[C@H]3N=NN(c4ccc(Br)cc4)[C@@H]3C2=O)c1 101078047 HQDVQKPLHVRCNH-HOTGVXAUSA-N 399.248 3.564 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 207998508 CKENVXOIXPMPDK-OAHLLOKOSA-N 399.834 3.637 0 40 GHAB O=C(CSc1cc(-n2cccn2)ncn1)Nc1ccc(Cl)c(Cl)c1 49403997 FLXQRJPHDVVWIS-UHFFFAOYSA-N 380.260 3.700 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585149013 QJCXUMLZQDVCJW-MRXNPFEDSA-N 377.893 3.762 0 40 GHAB O=C(NC[C@H](O)c1csc2ccccc12)C1(c2ccccc2)CCOCC1 585148008 IPSBLODAYIETFS-IBGZPJMESA-N 381.497 3.799 0 40 GHAB COc1ccc2c(c1)s/c(=N/C(=O)c1cccc(Br)c1)n2C 12139798 ZGWCIAIZFBXLDQ-FBMGVBCBSA-N 377.263 3.752 0 40 GHAB CC[C@@H](C)C(=O)N1CCC[C@](Cc2cc(-c3cccc(C)c3)no2)(C(=O)O)C1 12241812 FBHJUHDWWZBHLC-OPAMFIHVSA-N 384.476 3.932 0 40 GHAB CCCCOc1ccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1 13785448 GXPSRMZQLIZQCE-VBKFSLOCSA-N 383.498 3.606 0 40 GHAB O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1ccc(F)cc1 40134473 XKPAIVOPODMPKJ-UHFFFAOYSA-N 380.217 3.739 0 40 GHAB CCN1CCN(Cc2ccc(CNC(=O)C[C@H](C)c3ccccc3)cc2)CC1 40115648 XVPHGNOLEICKIB-FQEVSTJZSA-N 379.548 3.634 0 40 GHAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 40135156 PEXWGUJULWWFKE-DGCLKSJQSA-N 380.366 3.691 0 40 GHAB Cc1nc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)sc1SCC(N)=O 30707340 PEKAYOBZRLJIAX-UHFFFAOYSA-N 395.509 3.852 0 40 GHAB CC[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CCO1 30856790 AOTQWQCOWMAODV-LJQANCHMSA-N 391.471 3.799 0 40 GHAB COc1ccc(CCNC(=O)CSCc2nc(-c3ccc(C)cc3)no2)cc1 28907852 QLHABZJJBZSAKE-UHFFFAOYSA-N 397.500 3.646 0 40 GHAB CC(C)Oc1cccc(-c2nc3c4c5c(sc4ncn3n2)CN(C)CC5)c1 20548903 UZOAMMXXXCJSJV-UHFFFAOYSA-N 379.489 3.781 0 40 GHAB Cc1cccc(C(=O)N2CCC(O)CC2)c1NCc1c(F)cccc1Cl 45802599 LPJNYTLZEANQOV-UHFFFAOYSA-N 376.859 3.997 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)o1)c1ccc(Br)cc1 972010 RZRDLDDOZNGXJT-UHFFFAOYSA-N 376.235 3.869 0 40 GHAB CCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1CC(C)C 51357408 VIUVSOMNJUSHJF-UHFFFAOYSA-N 375.538 3.793 0 40 GHAB OC1CCN(c2c3c(nc4cc(-c5ccc(Cl)cc5)nn24)CCCC3)CC1 1341501 RMXPAOXMZDGYTK-UHFFFAOYSA-N 382.895 3.890 0 40 GHAB Clc1cc2c(c(CSc3nnc(NC[C@@H]4CCCO4)s3)c1)OCOC2 16331072 VRTIFCPYCUDYIG-ZDUSSCGKSA-N 399.925 3.941 0 40 GHAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 1960705 PHMYNDCJCJRJNF-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB COc1ccc(NC(=O)CS[C@H]2CCc3ccccc3N=C2O)c(OC)c1 11865837 PMHQHPGABXFFSC-SFHVURJKSA-N 386.473 3.979 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccccc1CN1CCCC1=O 32787545 GYHKGOYXRCMJBW-UHFFFAOYSA-N 390.405 3.687 0 40 GHAB CCCC(=O)N(CCC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 4881186 LGKZOEDCHDTCJN-UHFFFAOYSA-N 379.482 3.774 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1 6426753 DVIRPQCPXUUEQR-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB COc1ccc(F)cc1COC(=O)CCc1cc(OC)c(OC)c(OC)c1 6639120 QVPGQOSTGSXKOV-UHFFFAOYSA-N 378.396 3.536 0 40 GHAB Cc1ccc(CNC(=O)CSc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 6965980 JYNJCEBIWHUJOW-UHFFFAOYSA-N 380.517 3.909 0 40 GHAB O=C1N/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)N1c1ccc(Cl)cc1 6971202 ZXQVWAAYEKAXAR-LDADJPATSA-N 379.803 3.934 0 40 GHAB COc1ccc(C(C)=O)cc1Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O 7256024 FGCGCMSJJZSRRU-UHFFFAOYSA-N 393.468 3.883 0 40 GHAB CC1CCC(N(C)C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)CC1 7382458 RUBMLOBDPQAQBL-SHARSMKWSA-N 387.549 3.620 0 40 GHAB COc1ccc([C@H]2CCCN2[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 10220087 BGAXKRSESCBXSC-WOJBJXKFSA-N 398.890 3.813 0 40 GHAB CCc1nn2c(=O)cc(CSc3nccc(C)n3)[nH]c2c1-c1ccccc1 10338964 KSUBHCPTHVFIJG-UHFFFAOYSA-N 377.473 3.643 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1ccc(Cl)cc1 8414649 HMQAKIXTIKBSMV-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB CCCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nc2ccccc2c1=O 2634849 IMADXICOLMLJAL-HNNXBMFYSA-N 393.512 3.876 0 40 GHAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1Cc1ccccc1 102815452 NRAVWXWEQGTWGT-WOJBJXKFSA-N 388.467 3.557 0 40 GHAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NCc1cc(F)cc(F)c1 51364598 JXQOYMDJBWHEDZ-GOSISDBHSA-N 380.394 3.801 0 40 GHAB Cc1c(C(=O)NCCc2ccc(Br)s2)[nH]c2c1C(=O)CCC2 22225865 IDUXFXKSWIQLLG-UHFFFAOYSA-N 381.295 3.639 0 40 GHAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C)cc1 28242679 HRYWJODJRWIBRC-UHFFFAOYSA-N 377.370 3.802 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 8006684 XDXWCMZCNJARHI-KRWDZBQOSA-N 393.468 3.690 0 40 GHAB O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@@H]1C[C@H]2CC[C@@H]1C2 53175975 VDWNSTPJAKLJJH-GZBFAFLISA-N 379.298 3.660 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC(C(C)C)C(C)C 113941994 ADXXWACJQVDXJK-UHFFFAOYSA-N 380.554 3.580 0 40 GHAB Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCC(c2nc3ccccc3s2)CC1 23881294 IJJCFMCGCWEPHT-UHFFFAOYSA-N 391.496 3.971 0 40 GHAB CN(Cc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCC2)cn1 24601179 YIAVBDAWXIZIDS-UHFFFAOYSA-N 381.501 3.656 0 40 GHAB O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCN(c2ncccn2)CC1 34804970 FORKQRVCGPWUGQ-UHFFFAOYSA-N 378.863 3.759 0 40 GHAB COc1ccc(-c2nc(C(=O)NC[C@@H](c3ccsc3)N(C)C)cs2)cc1 25331073 VQEMGNREDQDSSR-KRWDZBQOSA-N 387.530 3.913 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@H](CN(C)C)C1 107543031 RIXOSFIREIWZID-OLZOCXBDSA-N 391.865 3.959 0 40 GHAB CCc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3ccncc3)n2)cc1 27280849 SOYBFPXGGKAKJL-IBGZPJMESA-N 376.460 3.990 0 40 GHAB CC[C@@H]1CCc2c(sc(NC(=O)[C@@]3(C)CC3(Cl)Cl)c2C(N)=O)C1 2088808 MNRXQLYVJIXGFM-ANRSDYALSA-N 375.321 3.884 0 40 GHAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3cccnc3)nc2n1 12545345 NUWONBINOTZXJK-UHFFFAOYSA-N 390.472 3.681 0 40 GHAB O=C1COc2cc(C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)ccc2N1 10427479 JTXHMKZULKCNGE-UHFFFAOYSA-N 384.395 3.609 0 40 GHAB Cc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CCCCC4)cc1 2270647 CLKSFWDBWGEWBO-UHFFFAOYSA-N 399.541 3.602 0 40 GHAB CCCSc1nc(N2CCOCC2)c2c3c(sc2n1)COC(C)(C)C3 2393770 HMNHKIZHRDUVIL-UHFFFAOYSA-N 379.551 3.881 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 28646313 KNBYGRZBJQRDCU-AWEZNQCLSA-N 381.476 3.700 0 40 GHAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 2402921 AXXGZSOONKNHJA-RYUDHWBXSA-N 377.872 3.524 0 40 GHAB Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3CCOCc2cccc(C)n2)c1 306125267 CKWKWTCWEPGOCC-FQEVSTJZSA-N 380.488 3.536 0 40 GHAB O=C(Nc1ccccc1-n1cccn1)NC1CCN(Cc2ccccc2)CC1 48152249 WUCNZADLZZWTPX-UHFFFAOYSA-N 375.476 3.658 0 40 GHAB C[C@@H]1CCc2c(sc3nc(Sc4nnnn4-c4ccccc4)nc(N)c23)C1 3354030 ZSDGJUXQRFNRLM-SNVBAGLBSA-N 395.517 3.525 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)cc1OC 12781013 FIQIIUIXEUDGTC-RYUDHWBXSA-N 387.407 3.939 0 40 GHAB CN(Cc1ccc(C(N)=O)cc1)C(=O)c1cc2c(s1)-c1ccccc1CC2 48252087 UWPYGZHEMSLELR-UHFFFAOYSA-N 376.481 3.885 0 40 GHAB C[C@@H]1CCC[C@@H](NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)[C@@H]1C 12878149 VULDJIIOIXLXSP-JXXFODFXSA-N 375.472 3.940 0 40 GHAB COc1ccc(Br)cc1CN(C)C(=O)NCCc1ccccc1F 12889097 WJNQXOKNVWPDRA-UHFFFAOYSA-N 395.272 3.981 0 40 GHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 3465244 IWRVZSBZAAKNLS-HXUWFJFHSA-N 385.851 3.526 0 40 GHAB COc1ccc([C@H](CNC(=O)CCc2c(C)noc2C)N2CCCCC2)cc1 8394208 BVJRRDJBZMYSLM-NRFANRHFSA-N 385.508 3.576 0 40 GHAB COc1ccc(NC(=O)CN(C)C(=O)CCCc2nc3ccccc3s2)cc1 8313160 ZIARWCNSFZRNAH-UHFFFAOYSA-N 397.500 3.725 0 40 GHAB CSc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3Cl)n2)cc1 49547958 CGYUMUMGJFIDDN-UHFFFAOYSA-N 399.903 3.602 0 40 GHAB O=C(c1ccc(Cl)c2cccnc12)N1CCN(c2ccc(Cl)cn2)CC1 69406698 OMJUKGRKGLNJPO-UHFFFAOYSA-N 387.270 3.899 0 40 GHAB O=c1[nH]c(CSc2nnc(-c3cccs3)n2C2CC2)nc2ccccc12 5165957 SFIRKECYWSRDHT-UHFFFAOYSA-N 381.486 3.870 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 6383000 XLAUYLUKHBKWDC-NRFANRHFSA-N 396.450 3.769 0 40 GHAB Cc1sc2ncn(CC(=O)N[C@@H](C)c3cccc(Cl)c3)c(=O)c2c1C 5319520 ALOSJKUJAZMGML-NSHDSACASA-N 375.881 3.606 0 40 GHAB COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1cccc(Cl)c1)CC2 5389118 NSWYBWWVOHFHQM-GFCCVEGCSA-N 381.881 3.665 0 40 GHAB Cc1ccc(C2=NN(C(=O)CCc3ccccc3O)[C@](O)(C(F)(F)F)C2)cc1 408563946 SNAIWCOLTPRSFY-LJQANCHMSA-N 392.377 3.521 0 40 GHAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NS(=O)(=O)c1cc(F)ccc1F 14222694 HTZFXYCCGXHAMH-UHFFFAOYSA-N 395.406 3.766 0 40 GHAB C[C@@H](C(=O)N1CCCCCC1)[S@@](=O)Cc1cc(Cl)c2c(c1)OCCCO2 69820360 NYFCWNHFMJFFBI-RMKBEBRYSA-N 399.940 3.541 0 40 GHAB Cn1ccc(NC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)n1 69896818 GKHFIQYJEKLBCH-UHFFFAOYSA-N 397.482 3.779 0 40 GHAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)Nc1ncnc2sc3c(c12)CCC3 6541611 URXAXTJHEYIPAZ-MRXNPFEDSA-N 392.484 3.858 0 40 GHAB COc1ccc(-c2nc(NCc3cccs3)n(C(=O)c3ccco3)n2)cc1 4777301 FWVDYCJEHQTZKL-UHFFFAOYSA-N 380.429 3.909 0 40 GHAB CC(=O)N1CCC(C(=O)Nc2nc3ccc(F)cc3s2)(c2ccccc2)CC1 8751170 PJRFRBZQHJBZDU-UHFFFAOYSA-N 397.475 3.954 0 40 GHAB COc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)c1 408628035 PTCBLQCIWSIZLM-UHFFFAOYSA-N 383.242 3.724 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(N)=O)cc1 7031782 FKVVKAHYNAQNGC-SECBINFHSA-N 397.656 3.607 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2F)n1C 9050489 BWAJMOPJPVJSOS-UHFFFAOYSA-N 386.452 3.669 0 40 GHAB Cc1nc(SCC(=O)Nc2sccc2C(N)=O)n(C2CCCC2)c1C 7140161 VKEVRTGEUHYTGJ-UHFFFAOYSA-N 378.523 3.506 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc21 15867561 ZQPOKQKOJVRMSZ-UHFFFAOYSA-N 385.489 3.893 0 40 GHAB Cc1ccc(-c2cc(NC(=O)CSc3nnc(NC4CC4)s3)on2)cc1 7577718 ASVBXGJYXZVDAA-UHFFFAOYSA-N 387.490 3.807 0 40 GHAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1cccc2ccccc12 9494643 SPOVRPUYFBSJCK-NRFANRHFSA-N 397.434 3.667 0 40 GHAB O=C(NCc1ccccc1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 9484138 DSPDXVYXIFWKLW-FQEVSTJZSA-N 389.499 3.656 0 40 GHAB Cc1ccc2onc(CC(=O)Nc3ccc(I)cc3)c2c1 19910213 UWHJBJMHDZLICH-UHFFFAOYSA-N 392.196 3.922 0 40 GHAB Cc1cc(C)n2nc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)nc2n1 9647862 ZFWVFVHNUULHIB-MRXNPFEDSA-N 395.513 3.652 0 40 GHAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)[nH]n2)cc1 72331555 IKVVPRFBIUXLCZ-UHFFFAOYSA-N 393.443 3.914 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)NCc3ccccc3OC(C)C)CC2=O)cc1 408708019 NIBCMEJJVFAMSV-GOSISDBHSA-N 396.487 3.542 0 40 GHAB COc1cccc([C@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C(C)(C)C)c1 79013739 DCALRIBZVFQTMF-UZLBHIALSA-N 384.476 3.540 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 60887002 QMLGJFWEOBNEHY-CQSZACIVSA-N 394.924 3.546 0 40 GHAB COc1ccc(-c2cnc3c(-c4ccccc4OC)c(C)nn3c2N)cc1OC 408599830 LWKKEFFGYKDQTQ-UHFFFAOYSA-N 390.443 3.980 0 40 GHAB COc1cc(/C=C\C(N)=O)cc(Br)c1OCc1ccccc1F 409416245 QSSYFHLGAYPVTF-SREVYHEPSA-N 380.213 3.674 0 40 GHAB COc1ccc(C(=O)CSc2nnc(COc3cccc(C)c3)n2C)cc1 33744833 WTSPLNBQZSRMCU-UHFFFAOYSA-N 383.473 3.686 0 40 GHAB CCn1c(SCc2ccc(C(=O)O)o2)nnc1-c1cc(OC)cc(OC)c1 408550482 CVQZWYOCEFZUPY-UHFFFAOYSA-N 389.433 3.566 0 40 GHAB CN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1ccc2c(c1)OCO2 533771401 YXVYTNPUAPLQOJ-UHFFFAOYSA-N 382.397 3.544 0 40 GHAB C[C@]1(CNC(=O)NCC2CCN(c3ccncc3)CC2)CCCc2ccccc21 537026684 QBBLMEWJGPCNAD-XMMPIXPASA-N 392.547 3.891 0 40 GHAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)c1ccccc1 72223652 KKGJWVAIILDIOQ-UHFFFAOYSA-N 381.476 3.678 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)[C@@H]2C[C@H]2C)C1 72388989 LTZSBJXRIKQKHE-HFXUHXBXSA-N 396.556 3.968 0 40 GHAB COc1cccc(CCC(=O)N2CCCC[C@@H]2c2nc(-c3ccncc3)no2)c1 72329857 CLTAHJUSRBREIX-LJQANCHMSA-N 392.459 3.827 0 40 GHAB Cc1c(C(N)=O)c2ccccc2n1C(=O)COc1ccc(Br)cc1 218741231 RLQHDKVRWUSWRQ-UHFFFAOYSA-N 387.233 3.530 0 40 GHAB CC1CCN(Cc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2)CC1 219235400 HZHHEQDUBJHFAC-UHFFFAOYSA-N 390.487 3.899 0 40 GHAB CCOc1cc(C(=O)NCCc2ncc3ccccn23)cc(OCC)c1OCC 31773138 LXHBGLVCIMAXER-UHFFFAOYSA-N 397.475 3.503 0 40 GHAB COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cnccc4o3)c2)cc1OC 32074858 VAGYELWOLXASOA-UHFFFAOYSA-N 391.383 3.865 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCC(c2ncncc2-c2ccncc2)CC1 72334735 CBCVXMPCBFYNQG-UHFFFAOYSA-N 376.435 3.626 0 40 GHAB COc1ccc(C2(CNC(=O)Cn3ccc4ccccc43)CCOCC2)cc1 49513423 JHJJCFQKBJQVQK-UHFFFAOYSA-N 378.472 3.515 0 40 GHAB biogenic CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccncc1)c1ccccc1 223340594 QWJLXIGOBYCOSC-QHCPKHFHSA-N 387.483 3.878 0 40 GHAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1 224032602 JDFFEHCLTXVPMV-JOCHJYFZSA-N 380.532 3.995 0 40 GHAB Cc1nc(C2CCN(C(=O)C(C)(C)C)CC2)cc(N2C(=O)OC[C@@H]2C(C)C)n1 257245963 IRWMRYYECHOBED-QGZVFWFLSA-N 388.512 3.518 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C)C3)c2)c1 260561501 HQYQNINVAICDCQ-KRWDZBQOSA-N 386.517 3.692 0 40 GHAB Cc1cccc(N(Cc2ccc(C(=O)N[C@H](C)C(C)C)cc2)S(C)(=O)=O)c1 260902650 URNXLNDNESDMSK-QGZVFWFLSA-N 388.533 3.736 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)N1CC(c2nc(-c3ccco3)no2)C1 90567381 FVCJQIFAADQRFG-UHFFFAOYSA-N 394.214 3.641 0 40 GHAB O=C(NCC[C@H]1CC1(F)F)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 621408768 LZIRJLNUGJCWTN-LBPRGKRZSA-N 398.406 3.825 0 40 GHAB Cc1nc(C(F)(F)F)ccc1C(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)O 621586452 BGBIUIMAHCGDAN-LSDHHAIUSA-N 378.350 3.839 0 40 GHAB O=C([C@H]1COc2cc(F)ccc2C1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 626273909 MLMQNKZVHILXFO-AEFFLSMTSA-N 392.434 3.526 0 40 GHAB Cc1ccncc1[C@@H](C)NC(=O)N(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 637004734 VKQLUFKURSNWLU-BHIYHBOVSA-N 383.492 3.672 0 40 GHAB OC[C@@H](N[C@H]1COC2(CCC2)C1)c1ccc(Br)cc1C(F)(F)F 657999614 KWGBJGNLKJPKTO-BXUZGUMPSA-N 394.231 3.803 0 40 GHAB O=C(c1ccc(F)cc1Cl)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390830519 LOKKOJRKHJVAGR-HNNXBMFYSA-N 387.885 3.543 0 40 GHAB O=C(c1ccc(NCCc2nsc3ccccc23)cc1)N1CCC(CO)CC1 952853108 JNOBIAWYUPSGHH-UHFFFAOYSA-N 395.528 3.795 0 40 GHAB Cc1cc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cc(C)c1O 1615152741 CXZHCDBEAQTGHJ-HSZRJFAPSA-N 398.478 3.546 0 40 GHAB Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 5750696 VJBNNSATXLOYPS-UHFFFAOYSA-N 378.428 3.560 0 40 GHAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)/C=C/c1ccccc1 12856322 STEDNIPPZROCMW-DHZHZOJOSA-N 391.456 3.822 0 40 GHAB CN(Cc1ccc(F)cc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 13012242 KQSKXOFXVQFKNX-JOCHJYFZSA-N 390.458 3.825 0 40 GHAB CC(C)c1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1 13668852 FXWXKDXELPAUMC-INIZCTEOSA-N 386.517 3.554 0 40 GHAB C[C@]1(C(=O)C2=NNC[C@H]2c2ccc(Br)cc2)O[C@@H]1c1ccccc1 13804332 JYTSIWCJAPORSQ-KFKAGJAMSA-N 385.261 3.591 0 40 GHAB O=C(OCc1ccc(-n2cccn2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 14677537 LVBAUZPPNGDWNV-NRFANRHFSA-N 378.428 3.787 0 40 GHAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1ccc(-n2ccnc2)cc1 18047639 WXVHCTUONINNPE-UONOGXRCSA-N 392.484 3.796 0 40 GHAB CC(=O)Nc1cccc([C@@H]2CN(Cc3ccccc3)C[C@]23CCCCC(=O)N3)c1 19022882 ZDTFBWNEURSUBZ-LADGPHEKSA-N 391.515 3.673 0 40 GHAB Cn1nc(C(=O)N2CCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1C(F)(F)F 19288744 BLXCQBIXCXLWDS-LLVKDONJSA-N 397.382 3.528 0 40 GHAB CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1cccn1-c1ccncc1 19527191 JOXSFIYXKLPXOU-JOCHJYFZSA-N 375.520 3.754 0 40 GHAB Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)c(C)c1C 19556716 WWODLUYKVWOGEA-BEFAXECRSA-N 387.499 3.901 0 40 GHAB Cc1ccc2cccc(NC(=O)c3ccccc3OCCN3CCCC3=O)c2n1 19654905 UBCSSZJAWGGVID-UHFFFAOYSA-N 389.455 3.797 0 40 GHAB Cc1c([C@H](C)NC(=O)CC2CCN(C(=O)CC3CCCCC3)CC2)cnn1C 19748334 VKGYORNAYHEOEG-INIZCTEOSA-N 388.556 3.505 0 40 GHAB CCSC[C@@H]1CCCN1C1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 206792962 XBZDHWIJFYIZOT-KRWDZBQOSA-N 391.537 3.629 0 40 GHAB Cc1ccc(C)c([C@@H]2CCCN2CC(=O)NCc2nc3ccccc3n2C)c1 19715489 SWCDNOWBQLXGAM-FQEVSTJZSA-N 376.504 3.643 0 40 GHAB COc1ccccc1NC(=O)C1CCN(C(=O)CCCc2cccs2)CC1 31432258 UOXRCWGSUYIEOF-UHFFFAOYSA-N 386.517 3.957 0 40 GHAB O=S(=O)(N[C@H](c1cccs1)C1CCOCC1)c1cccc2cccnc12 1565523810 WXNLNUUYCKLPHH-SFHVURJKSA-N 388.514 3.743 0 40 GHAB CCC(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@@H]1c1ccc(C)cc1 4036275 FHOFKOVWCIEFRX-HXUWFJFHSA-N 399.516 3.844 0 40 GHAB COc1ccc(-c2cn3c(C)c(C(=O)NCc4ccccn4)sc3n2)cc1 6309206 PUGCQPNDKSWMLW-UHFFFAOYSA-N 378.457 3.705 0 40 GHAB O=C(CCCc1ccccc1)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O 9660939 SXIDVLQFYZMCOP-UHFFFAOYSA-N 395.890 3.703 0 40 GHAB CCCc1cnc2c(c1SCc1ccccc1Cl)c(=O)n(C)c(=O)n2C 10216907 CGPRAGPWQCZLIZ-UHFFFAOYSA-N 389.908 3.530 0 40 GHAB COc1cccc2s/c(=N/C(=O)c3ccc(Br)s3)n(C)c12 11853026 HAHLMMDRQRWLIP-JQIJEIRASA-N 383.292 3.814 0 40 GHAB COc1cccc(-c2cc(COC(=O)c3cc4ccccc4oc3=O)no2)c1 12236709 FYERLMUMRSUDNQ-UHFFFAOYSA-N 377.352 3.814 0 40 GHAB Cc1cccc(-c2noc(C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1 12415400 VHTWMDGDGNYMQO-UHFFFAOYSA-N 389.502 3.675 0 40 GHAB O=C(NCC1(N2CCOCC2)CCC1)C1(c2ccc(Cl)cc2)CCCC1 1775973892 JLKDLTNITWWDLG-UHFFFAOYSA-N 376.928 3.523 0 40 GHAB CCOc1ccc(-c2cc3c(=O)n(CCOc4ccccc4)ccn3n2)cc1 1775968603 GQMMGTIXZUAMDB-UHFFFAOYSA-N 375.428 3.641 0 40 GHAB O=C(COc1ccc2ccccc2c1)NCC1CCN(Cc2ccco2)CC1 23016546 VKWAGJKPQPMOST-UHFFFAOYSA-N 378.472 3.840 0 40 GHAB COc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)c(OC)c1 49004545 ZSEUHOMRAZBTQQ-UHFFFAOYSA-N 392.459 3.935 0 40 GHAB CS(=O)(=O)c1cccc(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 51062119 HYGASDAKKXLSBZ-UHFFFAOYSA-N 393.464 3.679 0 40 GHAB COc1ccc([C@H](CNC(=O)Cn2c(C)cc3ccccc32)N2CCCC2)cc1 8193027 MCWSCLUYIKXOGC-QHCPKHFHSA-N 391.515 3.912 0 40 GHAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 101691261 JOQVHQKFSVTBFJ-CWRNSKLLSA-N 384.863 3.549 0 40 GHAB O=C(COc1ncnc2sc3c(c12)CCCC3)N1CCc2ccccc2C1 2636495 NZONYQIQSHRQJV-UHFFFAOYSA-N 379.485 3.534 0 40 GHAB NC(=O)c1ccc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 2630038 RDERKHIWUVOTNP-UHFFFAOYSA-N 389.786 3.584 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 6062559 GEUZBOHORQFFQT-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccccc2OC)CC1=O 6288682 QPZQAOMSYDCPFR-AEFFLSMTSA-N 380.488 3.878 0 40 GHAB C[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)C12CC3CC(CC(C3)C1)C2 6789369 ADDXPHLTNFXSIP-RWLLOJOVSA-N 375.534 3.566 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccccc2Br)cc1Cl 7428340 KBQXCBYLHJIVFH-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB O=S(=O)(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc2c(c1)CCCC2 32776770 XPPSUUVXQNKGON-HXUWFJFHSA-N 387.501 3.924 0 40 GHAB Cc1c([C@@H](C)NC(=O)NCCOc2ccccc2)cnn1-c1ccc(F)cc1 32803587 JIOBIFYPAMIENS-OAHLLOKOSA-N 382.439 3.759 0 40 GHAB CCOc1cc(CNn2c(-c3ccncc3)n[nH]c2=S)cc(Cl)c1OC 8253699 YWXJKEURPITTAV-UHFFFAOYSA-N 391.884 3.807 0 40 GHAB NC(=O)COc1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1 8777982 WRKAEVKYRWIEIB-UHFFFAOYSA-N 395.455 3.638 0 40 GHAB COc1ccc(C(N)=O)c(OCc2csc(COc3ccc(F)cc3)n2)c1 32901662 QZKKRIDXHGIITI-UHFFFAOYSA-N 388.420 3.548 0 40 GHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 103219223 ONBUIYNTGMIXGT-JQCXNVTFSA-N 396.512 3.972 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1 648666 FEANQNNPKCBZLP-UHFFFAOYSA-N 399.541 3.913 0 40 GHAB C[C@@H](O)c1cc(Cl)ccc1Sc1ccccc1C(=O)N1CCN(C)CC1 717542 XHCDZVYXZIGXKH-CQSZACIVSA-N 390.936 3.932 0 40 GHAB CSc1cccc(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 12327296 WXPMONZNSANOQX-MRXNPFEDSA-N 383.517 3.698 0 40 GHAB Cc1ccc(CN2CCCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1 22831590 QZUOVENJPRWNFT-UHFFFAOYSA-N 396.922 3.593 0 40 GHAB Cn1c(=O)c2c(-c3ccccc3Cl)cc(-c3cccs3)nc2n(C)c1=O 26503531 QLRKTARGXMQVOP-UHFFFAOYSA-N 383.860 3.681 0 40 GHAB Cc1ccccc1-n1nc(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)c2c1CCC2 173222955 HWHOLHCRWQRMOA-MUUNZHRXSA-N 397.475 3.798 0 40 GHAB CCOC(=O)COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C)oc2c1 1464006 RIMNJQPUMHULBO-UHFFFAOYSA-N 398.411 3.728 0 40 GHAB biogenic Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 25265152 FLEBOTYHPHMLEM-UHFFFAOYSA-N 386.561 3.799 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 25327244 YUCWTMVAMBBSSO-UHFFFAOYSA-N 391.446 3.848 0 40 GHAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H](C)c1nc(-c2ccccc2C)no1 89941670 VVTJLUYIGMNWRI-YTQUADARSA-N 382.508 3.971 0 40 GHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 107133976 TZWWLNMJJCOSBT-HRCADAONSA-N 381.442 3.965 0 40 GHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)C2=O 3273641 GSLTTYHVRMTKJG-WAIKUNEKSA-N 391.471 3.793 0 40 GHAB COc1ccc(Cl)cc1CN(C)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 10280188 DNQXFNZCHFIWCG-UHFFFAOYSA-N 388.830 3.649 0 40 GHAB COC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 20456244 ZXNTUVONJIKFIZ-LBPRGKRZSA-N 375.446 3.610 0 40 GHAB CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)CCC2 58245390 RWHJGZNJAVBPBY-UHFFFAOYSA-N 386.879 3.984 0 40 GHAB CN(C)CCNc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 28426723 QCGXHPGFCBTGMF-UHFFFAOYSA-N 391.454 3.672 0 40 GHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc(F)c(Cl)c1 3365757 UAWKGJNYPVNCHA-UHFFFAOYSA-N 398.843 3.911 0 40 GHAB Cn1ccnc1[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc(F)cc1 10656431 ARHOOJNBFNKDQI-GOSISDBHSA-N 375.806 3.800 0 40 GHAB C[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1c(Cl)cccc1Cl 36396424 DJFVBGIAPRSTHT-LBPRGKRZSA-N 386.300 3.960 0 40 GHAB C[C@@H]1CCc2c(sc3nc(SCC(=O)Nc4ccccn4)nc(N)c23)C1 2351993 YYZUIJITBAFWNP-SNVBAGLBSA-N 385.518 3.524 0 40 GHAB COc1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12785871 FBABEVNRGIPYQC-UHFFFAOYSA-N 377.444 3.774 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(c1nncs1)C3=O 2424789 XNHGPENYZQIZKG-MRXNPFEDSA-N 393.399 3.842 0 40 GHAB CSc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1 12799436 RCAPPBUQQUMLTG-UHFFFAOYSA-N 382.485 3.919 0 40 GHAB CC(C)n1ncc2cc(NC(=O)COc3ccc(Br)cc3)cnc21 12790751 BGXFPGNFHSBDJA-UHFFFAOYSA-N 389.253 3.792 0 40 GHAB CC[C@H](C)NC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 12899732 KOXRWVBPDPERLQ-LBPRGKRZSA-N 387.476 3.671 0 40 GHAB biogenic O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 38580526 HGQALENYTABBSJ-NRFANRHFSA-N 395.455 3.795 0 40 GHAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@H]1c1nc2ccccc2s1 8338666 ZOSCAWRARDSOCI-HNNXBMFYSA-N 390.534 3.563 0 40 GHAB Cc1ccc(-c2cc3c(SCC(=O)Nc4nccs4)nccn3n2)cc1 17051681 UEDVGQFZCADUEO-UHFFFAOYSA-N 381.486 3.892 0 40 GHAB O=C(NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccco1 13519101 XAAPPZOIDOHBRG-UHFFFAOYSA-N 385.423 3.655 0 40 GHAB COc1ccc(NC(=O)NCCC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 14170355 XNICDYNERJEYKE-UHFFFAOYSA-N 385.464 3.849 0 40 GHAB O=C(C[C@]1(O)C(=O)Nc2ccc(Cl)cc21)c1cccc(Br)c1 4545058 XHTXODXFULOOLG-MRXNPFEDSA-N 380.625 3.515 0 40 GHAB COc1cc(-c2nnc3sc(-c4cccc(F)c4)nn23)cc(OC)c1OC 4664933 PXNFMTGXSYFZJK-UHFFFAOYSA-N 386.408 3.685 0 40 GHAB O=C1O[C@@H](C(=O)Nc2nnc(SCc3ccccc3)s2)Cc2ccccc21 9044364 GGXSWYQWFUHYNW-OAHLLOKOSA-N 397.481 3.551 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)c2ccc(Br)cc2)cc1 6788308 HOVVAULZFBPOCS-UHFFFAOYSA-N 389.278 3.708 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1OC 6898307 VTSDMHLHSRDRRC-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB Cc1ccsc1C(=O)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 67205841 VOWSHHLQGSIQHO-UHFFFAOYSA-N 397.456 3.855 0 40 GHAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1cc(=O)c2cc(Cl)ccc2o1 7107510 RJTFZKVPOQGYGG-IBGZPJMESA-N 397.814 3.623 0 40 GHAB COc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)c2)c1 18244090 HIIUJVFBIAJBJV-WOJBJXKFSA-N 390.439 3.793 0 40 GHAB Cn1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c2ccccc2c1=O 71285389 QQJQEIURGHJCLR-UHFFFAOYSA-N 379.847 3.646 0 40 GHAB CCCOc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1OCCC 7724781 DUVCUPJFGQNMEL-UHFFFAOYSA-N 395.459 3.763 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1cccc2c1OC(C)(C)C2 7831110 KTUZMYBNXNRWNN-UHFFFAOYSA-N 391.471 3.623 0 40 GHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cc(Cl)ccc1N1CCCC1 7980322 MMRFSNJHZJSRRA-UHFFFAOYSA-N 396.878 3.748 0 40 GHAB CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 9338225 RSIQGNFCENEHQF-SFHVURJKSA-N 398.894 3.850 0 40 GHAB COc1ccc(OC)c2[nH]c(C(=O)NCCc3c[nH]c4ccc(F)cc34)cc12 9420092 BNAZJVVDHZIHFY-UHFFFAOYSA-N 381.407 3.778 0 40 GHAB COc1cc(C(=O)OCC(=O)NCC2CCCCC2)ccc1OCC(C)C 9536604 ORPCFPQQZWKGLR-UHFFFAOYSA-N 377.481 3.583 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@H](c1ccco1)N1CCCC1 9544926 IXJSZEHFEOZJGL-HXUWFJFHSA-N 392.503 3.708 0 40 GHAB Cn1ncc2c1CCC[C@H]2NC(=O)N1CCC(CCc2ccc(O)cc2)CC1 71806093 COQBCPQHOATHMS-HXUWFJFHSA-N 382.508 3.558 0 40 GHAB COc1cccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3cccs3)C2)c1 97105874 IJPVFBUEXAGARQ-LJQANCHMSA-N 383.517 3.920 0 40 GHAB CN(Cc1ccco1)C(=O)[C@H](c1cccc(Br)c1)N1CCCC1 72306890 DUOMLRHUZKHTRF-KRWDZBQOSA-N 377.282 3.838 0 40 GHAB O=C(Nc1cccnc1-n1cc(Br)cn1)c1c(F)cccc1F 72404885 WVLRMIMMNIIDDL-UHFFFAOYSA-N 379.164 3.560 0 40 GHAB C[C@H]1CC[C@H](C(N)=O)CN1Cc1csc(-c2ccc(Br)cc2)n1 79025951 CIDZSAXKXHZTLV-AAEUAGOBSA-N 394.338 3.658 0 40 GHAB N=C(NC(=O)c1ccc2c(c1)NC(=O)CS2)c1cccc(C(F)(F)F)c1 95452490 NRIQKRMJWQXABC-UHFFFAOYSA-N 379.363 3.505 0 40 GHAB COCCN(C)Cc1ccnc(NCc2cc(Br)ccc2F)c1 95450112 IWCACJQCPZDKCP-UHFFFAOYSA-N 382.277 3.674 0 40 GHAB CCOC(=O)C1CCC(Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)CC1 95456997 NHVQLKOMFSPPTD-UHFFFAOYSA-N 396.553 3.606 0 40 GHAB COc1ccc(-c2nnc(CN(C)C(=O)c3ccccc3Cl)o2)cc1OC 408713989 FTTDEEDPMWTISM-UHFFFAOYSA-N 387.823 3.679 0 40 GHAB CCCCC(=O)NC(=S)Nc1cc(NC(=O)c2ccco2)ccc1OC 32126570 QPYDPHSBFUUNBK-UHFFFAOYSA-N 375.450 3.544 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 32893182 JGKZKPXZNSDWHQ-MRXNPFEDSA-N 399.447 3.870 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2N1Cc1cccs1 306134709 NVTXRUCEZYFROX-PMACEKPBSA-N 381.476 3.770 0 40 GHAB C[C@@H](NC(=O)c1ccccc1SCC(N)=O)c1ccc(OC(F)(F)F)cc1 32817061 CUXMWFIHGJKIQY-LLVKDONJSA-N 398.406 3.654 0 40 GHAB CCn1cc(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cn1 72376665 OHQLYVOXTBMCML-FQEVSTJZSA-N 390.535 3.806 0 40 GHAB COc1ccc(CN(Cc2ccncc2)C2CC(C)(C)NC(C)(C)C2)cc1CO 36740555 WGDKLXHDXBVPAI-UHFFFAOYSA-N 397.563 3.894 0 40 GHAB O=C1C[C@H](Nc2ccccc2Br)C(=O)N1c1cccc(Cl)c1 36635800 IOBHFHNYUCEDKQ-AWEZNQCLSA-N 379.641 3.847 0 40 GHAB CC(=O)N1CCC(N2CC[C@H](c3nc(C)cc(Oc4ccc(F)cc4)n3)C2)CC1 72384360 YQIXQYHVARTHAI-KRWDZBQOSA-N 398.482 3.517 0 40 GHAB Cc1ccccc1C(=O)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 33268508 KZPFPCHEAJBZNS-UHFFFAOYSA-N 385.423 3.834 0 40 GHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3C)[nH]2)c1 216051649 RQWUFACHUUBSJC-UHFFFAOYSA-N 396.472 3.688 0 40 GHAB Nc1ncc(-c2ccccc2F)c([C@H]2CCCCN2C(=O)Cc2ccccn2)n1 72377008 CEPQUPGDLICPLB-LJQANCHMSA-N 391.450 3.556 0 40 GHAB CCN(c1ccc(C(=O)N2CCC[C@@H](C)C2)cc1)S(=O)(=O)c1ccccc1 224363218 GCFPWCQFUFNECX-QGZVFWFLSA-N 386.517 3.774 0 40 GHAB NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 40157930 UIWANEONVKPXOP-QGZVFWFLSA-N 392.286 3.695 0 40 GHAB O=C(c1ccc2nsnc2c1)N1CCC(Oc2nc3ccccc3o2)CC1 225680206 VKMSBMIYQLFYQF-UHFFFAOYSA-N 380.429 3.516 0 40 GHAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 44904528 LZFMVWJPIIQFBO-KRWDZBQOSA-N 389.455 3.726 0 40 GHAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Cl)c1ccccc1F 222650095 YZLRMSLSOGYVTH-UHFFFAOYSA-N 384.860 3.664 0 40 GHAB O=C(NCCCNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc2ccccc2o1 96026196 PBLZRVZVHGEMDK-UHFFFAOYSA-N 380.488 3.885 0 40 GHAB O=C(c1cc(F)cc(F)c1)N1CCC2(CC1)OCC[C@H]2CCOCC1CC1 247940568 PIMULNRPWUPUGL-QGZVFWFLSA-N 379.447 3.793 0 40 GHAB O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)N1CCC[C@H]([C@@H]2CCCCO2)C1 664381375 UZLBWGPAJQRKRT-FCEWJHQRSA-N 393.478 3.534 0 40 GHAB Cc1ccc(C)c2c1[nH]c1nc(SCC(=O)Nc3cccc(F)c3)nnc12 5489308 HSUNFRXVKJAACB-UHFFFAOYSA-N 381.436 3.993 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ncncc3-c3ccncc3)C2)s1 12088554 YXUHNDVWPAGFLO-MRXNPFEDSA-N 379.489 3.632 0 40 GHAB O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccccc1-c1ccccc1 12114545 BREPSMKTCVHEEW-UHFFFAOYSA-N 387.483 3.671 0 40 GHAB COCCn1cc(CN2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 12328352 CFCGFQYVNJZDFK-UHFFFAOYSA-N 394.515 3.780 0 40 GHAB O=C1C[C@@H](c2ccccc2)Cc2c1cnc1[nH]n(-c3nc4ccccc4o3)c(=O)c21 13639627 AYPVPVNRGVGDHO-AWEZNQCLSA-N 396.406 3.768 0 40 GHAB COc1cc(CNS(=O)(=O)Cc2ccccc2Cl)ccc1OC(C)C 13676355 FYXNKUSOPHELIU-UHFFFAOYSA-N 383.897 3.755 0 40 GHAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@H](c2nnc(-c3cccs3)o2)C1 19293464 XBBOQSCARAKEPM-NSHDSACASA-N 395.893 3.630 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)N1CCc2onc(Nc3cccc(F)c3)c2C1 19294031 VLEKZUXJBSTSCR-UHFFFAOYSA-N 395.390 3.527 0 40 GHAB O=C1NCCN(CCCc2ccccc2)C[C@@H]1Cc1ccccc1-c1cccnc1 19371131 HABJUQOWEOKHJH-DEOSSOPVSA-N 399.538 3.972 0 40 GHAB CCCn1c(C)cc2cc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)ccc21 19525972 YEVYPKPQTYZJJP-UHFFFAOYSA-N 396.491 3.553 0 40 GHAB CN(C)c1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2ccccc2)n1 19585259 CVAHQSKQXQEEBD-FQEVSTJZSA-N 387.487 3.972 0 40 GHAB Cc1ccc(S(=O)(=O)n2c(CN3CCC[C@H](C)C3)nc3ccccc32)cc1 4861653 BVXMDSNCCAOGSA-KRWDZBQOSA-N 383.517 3.814 0 40 GHAB COc1ccc2[nH]cc([C@@H](O)CN3CCC(Oc4ccc(F)cc4)CC3)c2c1 19563180 FUUUITNDTWLGFK-QFIPXVFZSA-N 384.451 3.892 0 40 GHAB Cn1cnc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)[nH]c3=O)cc21 19718212 XJYYWTQSINWEHM-UHFFFAOYSA-N 378.819 3.834 0 40 GHAB COc1ccc(F)c(CN2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)c1 2037984223 UOEMUFDMBSCCOE-QHCPKHFHSA-N 398.478 3.622 0 40 GHAB CCc1ccccc1NC(=O)CSc1nccn(-c2ccc(OC)cc2)c1=O 4484301 AQMFIBYPQNSPHU-UHFFFAOYSA-N 395.484 3.534 0 40 GHAB COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)Cc2cc3ccccc3o2)cc1 575415711 VJDDMSDGEDEKJG-ZDUSSCGKSA-N 388.445 3.521 0 40 GHAB COc1ccc(CCS(=O)(=O)NCc2ccc(-c3ccsc3)o2)cc1 575610562 PSHVKLVDSNBKQC-UHFFFAOYSA-N 377.487 3.679 0 40 GHAB Cc1cccc(-c2nc3s/c(=C\c4ccc(C(C)(C)C)cc4)c(=O)n3n2)c1 3637183 KGHCJGMYJFQXMI-AQTBWJFISA-N 375.497 3.972 0 40 GHAB CC(C)c1ccc(Nc2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)s2)cc1 5624484 WFLWXWROTIJRHR-ZDUSSCGKSA-N 393.538 3.717 0 40 GHAB CC(C)(C)[C@H]1CCc2onc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)c2C1 20044906 MZRJOAVVZHMEBV-KRWDZBQOSA-N 399.510 3.923 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2sc(C)nc2-c2ccc(F)cc2)C1 29570403 QLOUMODHNAMZJK-OAHLLOKOSA-N 390.480 3.602 0 40 GHAB COc1cccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@]2(O)C(F)(F)F)c1 910726 SNJGINSVSRBCCD-SFHVURJKSA-N 378.350 3.505 0 40 GHAB Cc1cccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccn2)c1C 1362538 TYWCUGWYQYJRQY-UHFFFAOYSA-N 393.516 3.661 0 40 GHAB Cc1cccc(Nc2nnc(SCC(=O)NCC(F)(F)F)s2)c1C 2618299 FHVBJZSIASDMTG-UHFFFAOYSA-N 376.429 3.669 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)cc2NC1=O 32493603 QZYUXTFFCQTARU-GFCCVEGCSA-N 396.834 3.557 0 40 GHAB CC1CCN([C@H](c2ccc(F)cc2)c2nnnn2Cc2ccc(F)cc2)CC1 4847669 GVFSZYDYMWIZQW-HXUWFJFHSA-N 383.446 3.821 0 40 GHAB CCc1ccc([C@@H](CNS(=O)(=O)C2=Cc3ccccc3CC2)N(C)C)cc1 32679688 NOPWNIDFNFBRMX-JOCHJYFZSA-N 384.545 3.758 0 40 GHAB O=C(CN1CCN(c2ccccc2)CC1)NCC12CC3C[C@H](CC[C@@H](C3)C1)C2 101024385 AHSLVYVIPOQCRU-SZYSUKIFSA-N 381.564 3.531 0 40 GHAB Cc1ccc(NC(=O)C[S@](=O)Cc2ccc(F)cc2Br)cc1 32800996 VUQDCZGYAGSHMS-QFIPXVFZSA-N 384.270 3.784 0 40 GHAB O=C1CCc2cc(C(=O)OCc3cc(Cl)c4c(c3)OCCCO4)ccc2N1 32836762 VLXKLZSSTFGRBC-UHFFFAOYSA-N 387.819 3.743 0 40 GHAB CCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccccc3Cl)n2)cc1 41253981 ZEFXEWRECKXYJR-UHFFFAOYSA-N 395.890 3.833 0 40 GHAB CCOc1cc(/C=C2\N=C(S)N(Cc3ccco3)C2=O)ccc1OC(F)F 2792481 XLMWNNPIYRHSET-JYRVWZFOSA-N 394.399 3.949 0 40 GHAB Cc1c(C(=O)N[C@H]2CCN3CCCC[C@H]23)cnn1-c1cccc(C(F)(F)F)c1 46993003 ZEOBAGUPIGSBKK-ZWKOTPCHSA-N 392.425 3.556 0 40 GHAB Cc1cccc(CN2CCN(CC(=O)N[C@H](c3cccs3)C(C)C)CC2)c1 22133932 XWCOSMHQXMARJR-QFIPXVFZSA-N 385.577 3.688 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1N1CCCC1=O 20454761 IBFDQOLWIAVPLO-UHFFFAOYSA-N 394.880 3.585 0 40 GHAB NC(=O)N[C@H](CC(=O)Nc1ccccc1N1CCCCCC1)c1ccccc1F 24473855 YAIJWLPQIDRHJS-LJQANCHMSA-N 398.482 3.944 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c(OC)c1 778570 UAJDHYOQXCYESJ-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB CN(C)C[C@@H]1CCCCN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 103976428 SENSNBJXDVCSRB-KRWDZBQOSA-N 395.532 3.552 0 40 GHAB COc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(OC)c(OC)c2)S3)cc1 957017 UVHHIMPMPMZYFS-KRWDZBQOSA-N 397.456 3.848 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 955483 FYCVURUIBPTEFY-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](C(=O)OCc3nc(C)no3)[C@@H]2c2cccs2)cc1 23373297 HGAJXSKCOGOHCY-HNAYVOBHSA-N 397.456 3.586 0 40 GHAB CCOC(=O)c1cc2c(nc1NC(=S)NCc1ccccc1)CC(C)(C)OC2 1099652 PCMWCNJHFGJACQ-UHFFFAOYSA-N 399.516 3.596 0 40 GHAB O=C1CCCN1c1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 12552432 DBSCLKVYTPRTJT-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB CC(C)(C)c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 24135975 SKYQWZGPHHJOHJ-UHFFFAOYSA-N 378.516 3.877 0 40 GHAB CCc1nn2c(=O)cc(CSc3nc(C)cc(C)n3)[nH]c2c1-c1ccccc1 100071936 IYMFDVQLNUELIV-UHFFFAOYSA-N 391.500 3.951 0 40 GHAB O=C(OCC1c2ccccc2-c2ccccc21)[C@H]1N[C@@H](C(=O)O)Cc2ccccc21 55161880 PAAWUAPRJOJQQN-PKTZIBPZSA-N 399.446 3.682 0 40 GHAB CCN1CCN(c2ccccc2NS(=O)(=O)c2ccc(C(C)C)cc2)CC1 21890211 OVXZCLXJOLEVDE-UHFFFAOYSA-N 387.549 3.753 0 40 GHAB Cn1ccnc1[C@H](NC(=O)/C=C/c1ccc2c(c1)OCCCO2)c1ccccc1 12629634 WANZQZWNHLRTJO-XBFAEUMISA-N 389.455 3.500 0 40 GHAB O=C(c1ccc(COc2cccc3ccccc23)o1)N1CCN2CCC[C@@H]2C1 28226785 ONBFDJYVKJUZPK-GOSISDBHSA-N 376.456 3.932 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(-c2cccc(F)c2)n1 57508187 QZUCFRKJDZSHEQ-UHFFFAOYSA-N 379.435 3.867 0 40 GHAB Cc1ccc(CN(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C2CC2)cc1 58166217 HYDXGSDBEWVXRT-UHFFFAOYSA-N 390.487 3.989 0 40 GHAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)C1CCN(C(=O)C2CC2)CC1 10290114 WRLZCURHFAMQKM-LJQANCHMSA-N 386.492 3.741 0 40 GHAB C[C@H](On1nnc2ccc(Cl)cc21)C(=O)Nc1cc(Cl)cc(Cl)c1 3343045 CXFPCNPAZAXWDU-QMMMGPOBSA-N 385.638 3.847 0 40 GHAB CCN1C(=O)N[C@H](c2c(F)cccc2Cl)C(C(=O)Nc2cc(C)on2)=C1C 10353462 NQPPSKCXYQNRRW-INIZCTEOSA-N 392.818 3.774 0 40 GHAB O=C(NC[C@H]1CCOC1)c1cccnc1Oc1ccc(F)cc1Br 45038205 SIXKTBHAVXRYIB-LLVKDONJSA-N 395.228 3.542 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)/C=C/c1cccc2cccnc12 12780167 AAYHMGCSYKBCDT-VAWYXSNFSA-N 379.847 3.999 0 40 GHAB O=C(Nc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)C1CC1 10670624 QASIXQDSVMQBIT-UHFFFAOYSA-N 398.406 3.532 0 40 GHAB O[C@@H](COc1ccc(Cl)cc1)CN1CCN(c2ccc(Cl)cc2)CC1 26780889 GZJBLBDEMLXBDI-GOSISDBHSA-N 381.303 3.555 0 40 GHAB COc1ccc(-c2nc3c4cnn(-c5cccc(Cl)c5)c4ncn3n2)cc1 2428319 AOPPSMNOWSZQFR-UHFFFAOYSA-N 376.807 3.792 0 40 GHAB COCCn1c(S[C@H](C)C(=O)Nc2nc3ccccc3s2)nc(C)c1C 48355384 FSHDBGURXVHWSN-CYBMUJFWSA-N 390.534 3.875 0 40 GHAB CN(CN1C(=O)NC2(CCCCC2)C1=O)C(c1ccccc1)c1ccccc1 12819810 VMMCGSJYTZFDHW-UHFFFAOYSA-N 377.488 3.920 0 40 GHAB O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2ccc(Cl)s2)cs1 12902877 NTARMYNOGHEFCE-UHFFFAOYSA-N 396.902 3.870 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)c(C)c1 13042484 IZCPHNROCCALTO-UHFFFAOYSA-N 380.897 3.594 0 40 GHAB COc1cc(C)c(NCC(=O)Nc2cccc(Br)c2)cc1OC 8190190 RCIDYDJVOAIKNG-UHFFFAOYSA-N 379.254 3.825 0 40 GHAB CCCCOc1ccc(C2=N/C(=C\c3ccccc3OCC(=O)O)C(=O)O2)cc1 8180083 HFRBKKCKBSQYRL-AQTBWJFISA-N 395.411 3.673 0 40 GHAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1ccccc1C(=O)NC1CCCC1 8267112 IOJAONLESJWQFQ-ZWKOTPCHSA-N 383.536 3.810 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3OC(C)C)CC2=O)cc1C 408706966 FYMDONGIFAONLO-IBGZPJMESA-N 380.488 3.760 0 40 GHAB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4026983 MJDYUFYIOGAURV-JOIWDNIXSA-N 385.504 3.771 0 40 GHAB biogenic Cc1cc(C(=O)COc2cccc3ccccc23)c(C)n1[C@H]1CCS(=O)(=O)C1 6010613 WXPFFWLLLGGPEZ-SFHVURJKSA-N 397.496 3.879 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(SC(F)(F)F)cc1 18100821 VVFOUYVQQZJUAS-UHFFFAOYSA-N 393.390 3.807 0 40 GHAB COc1ccccc1C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O 5156767 GVMJQKNLPYJEHW-CQSZACIVSA-N 391.402 3.789 0 40 GHAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccn2)no1 5246252 FZJLEKYOKRCNBO-KRWDZBQOSA-N 393.786 3.888 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)c1ccc[nH]1 6345055 GWKZOGNBXLDWND-UHFFFAOYSA-N 393.443 3.887 0 40 GHAB Cc1ccc(CNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 6300114 QTHBNLMBVHFUNY-UHFFFAOYSA-N 383.451 3.683 0 40 GHAB COc1ccc2[nH]cc(C3CCN(C[C@H](O)COc4ccccc4F)CC3)c2c1 65511943 WMIRVEBPGCIFDU-KRWDZBQOSA-N 398.478 3.935 0 40 GHAB Cc1nc2[nH]c(SCC(=O)Nc3ccccc3F)nc2cc1Br 5453980 YNKQRXKNAWSTHR-UHFFFAOYSA-N 395.257 3.899 0 40 GHAB COc1cc(CC(=O)OCc2ccccc2Br)cc(OC)c1OC 5475630 FYBDKKLADGYVAN-UHFFFAOYSA-N 395.249 3.761 0 40 GHAB O=C(NCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1F 6551213 UWPODCXQCSOINK-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(c2ncnc3ccsc23)CC1 14328662 PTDGQTNCKCXYKI-UHFFFAOYSA-N 381.457 3.562 0 40 GHAB CN(C)c1nc(Nc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 4675212 PPBJYFRMMJDFBG-UHFFFAOYSA-N 381.280 3.553 0 40 GHAB Brc1ccc(OCc2nn3c(-c4ccncc4)nnc3s2)cc1 4664929 BPJCQBBAGUHJCF-UHFFFAOYSA-N 388.250 3.589 0 40 GHAB C[C@H](Sc1nc2ccsc2c(=O)n1Cc1ccccc1)C(=O)N1CCCC1 8777110 QYSHWRYITZBFLI-AWEZNQCLSA-N 399.541 3.609 0 40 GHAB O=c1c2oc3ccccc3c2ncn1Cc1cc2c(cc1Br)OCO2 6850664 XOPUEKGKVMDYLK-UHFFFAOYSA-N 399.200 3.682 0 40 GHAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 4994929 HNXDNHLICALDNY-FQEVSTJZSA-N 379.435 3.708 0 40 GHAB CCCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 9239043 DTJSPWVWNGEAQG-MSOLQXFVSA-N 393.516 3.621 0 40 GHAB Cc1nc(-c2cccc(NC(=O)N(C)CC(=O)Nc3c(C)cccc3C)c2)no1 71830722 FLNCVTTZZCDWRZ-UHFFFAOYSA-N 393.447 3.764 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCO2)N(Cc1ccccc1C(F)(F)F)C1CC1 84504607 NWOIFIFSFUKXHS-UHFFFAOYSA-N 397.418 3.994 0 40 GHAB COc1ccc(-c2csc3ncnc(N[C@@H](C)CC[S@@](C)=O)c23)cc1 78967826 MKUVHVCMIPRGCB-VDBVYFBLSA-N 375.519 3.936 0 40 GHAB COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)/C=C/c1cccc(OC)c1OC(F)F 95444469 DGMWXQHMYCHLSM-LYYLXJLWSA-N 397.418 3.548 0 40 GHAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)NCCCc1ccccc1 98211349 KLCYQCWOMDMOHN-UHFFFAOYSA-N 386.455 3.954 0 40 GHAB COc1ccc(CN2CCC3(CC2)C[C@@H](CN2CCC(F)(F)CC2)O3)c(F)c1 306127797 GHYPKKJRJKCAQW-SFHVURJKSA-N 398.469 3.689 0 40 GHAB CSc1cccc(NC(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)c1 32100808 FDHQCZNNBZGGAU-UHFFFAOYSA-N 393.515 3.642 0 40 GHAB O=C(Nc1cccs1)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 38900053 LCRUAYWYNCKIKK-ZDUSSCGKSA-N 398.444 3.938 0 40 GHAB O=C(COc1cccc2ccccc12)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 32117709 JTZUDACMMOZSKJ-DNVCBOLYSA-N 392.377 3.858 0 40 GHAB CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H](c1ccnc3ccccc13)N2 306145422 DZPNVVOQKSONNP-LJQANCHMSA-N 383.492 3.665 0 40 GHAB O=C(Cc1ccncc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72358835 KADSXPPMJTZUFE-QGZVFWFLSA-N 376.435 3.626 0 40 GHAB CCCC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)NCC 223776929 PUBQJMOTJDJQTH-NRFANRHFSA-N 382.504 3.571 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 224811444 BBFGALCLMCZZTK-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB Cc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3cccc(Cl)c3)n2)cc1 223643923 DCOHQYXVZDMKHI-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 224253255 PRIRUSMTMCONHQ-JOCHJYFZSA-N 396.531 3.934 0 40 GHAB Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc(C)c1Cl 222700045 WSVIWYOMKQJGMD-CQSZACIVSA-N 375.852 3.984 0 40 GHAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1C 225423063 WVOMYOSGWYADTA-OAQYLSRUSA-N 396.531 3.750 0 40 GHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1 223753704 SHHMGCDIYNWMTH-PMACEKPBSA-N 378.501 3.914 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(OC)cc2C)cc1Cl 224854834 JOUUXXAGTZKRFP-UHFFFAOYSA-N 397.880 3.943 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 49936964 AVBDYAUVBSMVAN-OAHLLOKOSA-N 378.394 3.822 0 40 GHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2ccccc2OC)CC1 222977771 JWDLUUFGCWRSSS-NRFANRHFSA-N 382.504 3.818 0 40 GHAB CCc1ccc(OCC(=O)NCCOCc2ccccc2)c(Br)c1 224248032 SATONRVNSOCASZ-UHFFFAOYSA-N 392.293 3.723 0 40 GHAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 225447552 OPDFWYDVQIGXQM-QFIPXVFZSA-N 380.532 3.914 0 40 GHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 223247833 QFTGXYWVLQSDAO-RTWAWAEBSA-N 397.592 3.922 0 40 GHAB O=C(c1ccc(F)c(F)c1)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96099571 KIUIMXIWFMMIIZ-FKEKPDDDSA-N 391.439 3.574 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CN(C(=O)Nc2cccc(F)c2)CC12CCOCC2 96078705 QAFOFSADBKJVHN-LJQANCHMSA-N 397.450 3.725 0 40 GHAB Cc1cccnc1C(=O)N1CC[C@@H](Cc2cccc(-c3c(C)noc3C)n2)C1 257316007 VDSPRFLNAMHLHR-KRWDZBQOSA-N 376.460 3.762 0 40 GHAB Cc1ncsc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3C)ccn1 257323875 WMEZEBXKVDZSNB-UYZIEWPDSA-N 396.560 3.991 0 40 GHAB O=C(Cn1ccnc1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257220603 DLJPLDUMFYULSD-SFHVURJKSA-N 384.867 3.869 0 40 GHAB CCOc1cc(N2CCOCC2)ccc1[C@@H]1OC(C)(C)[C@@H]2C[C@H](O)[C@@H](C)[C@@H]1C2 257306091 SSWBEEZCPSQTRC-NAFADOBPSA-N 389.536 3.795 0 40 GHAB CCc1cnc(CCNC(=O)N2CCC(c3ccc4cccnc4n3)CC2)s1 654465780 YSEISFCJMABPSG-UHFFFAOYSA-N 395.532 3.780 0 40 GHAB Cc1ccc(OC[C@@]2(O)CN([C@H]3CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)cc1 585281856 CTGLTDVSGHTFNP-TWVZQSRDSA-N 395.543 3.898 0 40 GHAB CN(C)[C@@H](CNC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccs1 43143370 PLNGOHBERPBWJX-ROUUACIJSA-N 389.521 3.730 0 40 GHAB Oc1cc(C2CCN(Cc3cccc(F)c3F)CC2)nc(-c2ccccn2)n1 72392860 HGJNIPRGQNBUDZ-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB in-vitro COc1ccc(-c2c(C)nn3c(NCCCn4ccnc4)cc(C)nc23)cc1 12113331 SJJHQXJYOLFETN-UHFFFAOYSA-N 376.464 3.720 0 40 GHAB O=c1cc(CN(Cc2cccs2)C[C@H]2CCCO2)nc2ccc(Cl)cn12 12986468 CYXODMUCANOJMC-MRXNPFEDSA-N 389.908 3.591 0 40 GHAB CC(C)N1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)CC1 19447787 KZWZBXZKLKBWDL-VXNXHJTFSA-N 397.607 3.976 0 40 GHAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)Cc2cccc3cccnc23)cc1 19662680 RHVKVVAMOZCJKK-XMMPIXPASA-N 398.466 3.683 0 40 GHAB CC[C@@H](NC(=O)c1cnc(N2CCC(C)CC2)nc1C)c1c(C)nn(CC)c1C 19663582 VNCGGGKXQDTCJE-LJQANCHMSA-N 398.555 3.736 0 40 GHAB CCOc1ccc(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)cc1OC 12119149 AKIVHIJCGIVFLL-QGZVFWFLSA-N 382.460 3.839 0 40 GHAB COc1ccccc1CC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 19586730 MGVACCHQGGJNIG-UHFFFAOYSA-N 394.515 3.560 0 40 GHAB C[C@@H]1CCCCN1Cc1cccc(NC(=O)c2nc3ccccc3n(C)c2=O)c1 19715028 PULGHQCMFZRSNI-MRXNPFEDSA-N 390.487 3.560 0 40 GHAB C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 31392816 TUBZUZBRQUJFGN-TZMCWYRMSA-N 385.514 3.840 0 40 GHAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2ncc(Br)cc2Cl)C1 2087051398 MYBFUKJFSPFXAQ-LBPRGKRZSA-N 388.737 3.971 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2N)cc1 3406146 QYCYKDXUGHSMMP-UHFFFAOYSA-N 397.504 3.522 0 40 GHAB Cc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1 4164065 ZUSOBUQTAHHICQ-UHFFFAOYSA-N 375.457 3.831 0 40 GHAB COc1ccc(-n2ccnc(SCC(=O)Nc3ccc(C)cc3C)c2=O)cc1 4484308 UJEPWCPMOMIOPY-UHFFFAOYSA-N 395.484 3.589 0 40 GHAB O=C(CSc1nnc(-c2ccc(Cl)s2)o1)Nc1ccc2c(c1)OCO2 12249019 JHQSCUNTRCFPGB-UHFFFAOYSA-N 395.849 3.911 0 40 GHAB O=C(Cc1csc(NC(=O)c2ccc(F)cc2)n1)Nc1cccnc1Cl 38575687 MUVLCEJAKDTTCQ-UHFFFAOYSA-N 390.827 3.764 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2cccc(-n3ccc4ccccc43)c2)CC1 44227218 XBKMLCODSPHWFX-UHFFFAOYSA-N 391.471 3.981 0 40 GHAB COc1ccc(Br)c(C(=O)NCC[C@H](CCO)c2ccccc2)c1 206626413 VRMDLDMJVOBVDM-OAHLLOKOSA-N 392.293 3.744 0 40 GHAB CCOC(=O)CS[C@H](CC)C(=O)Nc1nnc(-c2ccccc2Cl)s1 4174639 XCFAXAUZNPTCLX-GFCCVEGCSA-N 399.925 3.872 0 40 GHAB CNC(=O)Cc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1 29360235 LYWQBQWJZFSZOU-UHFFFAOYSA-N 378.428 3.708 0 40 GHAB Cc1nc(C)c2c(C)c(C(=O)O[C@H](c3nccn3C)C(F)(F)F)sc2n1 40157152 RWFGVXXUHJCISI-GFCCVEGCSA-N 384.383 3.810 0 40 GHAB C[C@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 40144570 QLQXLICMGVPTLZ-HNNXBMFYSA-N 384.451 3.929 0 40 GHAB COc1ccc([C@H]2[C@@H](C(=O)Nc3cccnc3)c3ccccc3C(=O)N2C)cc1 40287379 XNBIGFDQAOFDGM-SFTDATJTSA-N 387.439 3.639 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 7787060 IKCJBTCSRJFVST-AUUYWEPGSA-N 384.432 3.695 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CS[C@H]2CCc3ccccc3N=C2O)cc1 11865811 XSAMZKUEIBDQNC-SFHVURJKSA-N 383.473 3.920 0 40 GHAB CCN(CC)C(=O)c1sc(NC(=O)c2cccc(F)c2)c(C(=O)OC)c1C 871479 BVCHITPSEIBOOK-UHFFFAOYSA-N 392.452 3.717 0 40 GHAB Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)O)n2Cc2ccccc2)cc1 916892 SCNQRLOULDHKJZ-HNNXBMFYSA-N 383.473 3.779 0 40 GHAB O=C(Cn1c(C2CC2)nc2ccccc2c1=O)Nc1ccc(Br)cc1 1371516 ORMDNQCHUAVYQA-UHFFFAOYSA-N 398.260 3.675 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 3602591 IOCADUWLODCCIT-UHFFFAOYSA-N 399.428 3.595 0 40 GHAB CC(=O)c1ccc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 4966680 YVDCFZVFQJIQQO-UHFFFAOYSA-N 382.435 3.562 0 40 GHAB CCCCc1ccc(NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 6323637 IQGICPFRBZVTGO-UHFFFAOYSA-N 388.533 3.996 0 40 GHAB CNC(=O)[C@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)c2ccccc2O1 7825785 GOUOYYBEMZKEGH-OAQYLSRUSA-N 388.423 3.633 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 7882054 XTPCWXLMBBNVDS-APWZRJJASA-N 394.471 3.800 0 40 GHAB COc1ccc2oc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c(C)c2c1 32808950 WKHVPKVJFFKZPB-ZDUSSCGKSA-N 387.457 3.644 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3cn(C)c4ccccc34)cc2C)CC1 16300151 RYGQFOXSGGGVMX-UHFFFAOYSA-N 376.504 3.881 0 40 GHAB CC1CCN(c2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2C2CC2)CC1 9054433 DRPULVLBQPVOQB-OAHLLOKOSA-N 385.537 3.969 0 40 GHAB c1ccc(-c2nnn(Cc3nn4cc(-c5ccccc5)c5c4n3CCCC5)n2)cc1 623080 CMUNXNKUQUJEJI-UHFFFAOYSA-N 395.470 3.841 0 40 GHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 20492573 FLGHBKBZYKOVRT-HXUWFJFHSA-N 396.487 3.572 0 40 GHAB Cc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1Cl 717315 DWXMDRLQTKMNMU-UHFFFAOYSA-N 386.860 3.949 0 40 GHAB CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccccc3)cc2s1 59294557 UPPHFLQNXMFXNZ-UHFFFAOYSA-N 384.486 3.772 0 40 GHAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc4c(c3)NC(=O)CO4)o2)cc1 22744773 RUHYENVDYDXMLQ-GFCCVEGCSA-N 395.440 3.739 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1C 886828 JTBRTQYEBGBDNW-UHFFFAOYSA-N 381.436 3.993 0 40 GHAB Cc1cc(C)cc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)c1 876832 LMMHLLPEICIKPH-VWOFGYOZSA-N 392.455 3.896 0 40 GHAB CN1CCc2nc(NC(=O)c3cccc(OCc4ccccc4)c3)sc2C1 23873152 IWKUYDQCYJEOPK-UHFFFAOYSA-N 379.485 3.962 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1 57122896 YPVRWKSLPVPLRF-UHFFFAOYSA-N 388.489 3.559 0 40 GHAB CC(C)(CNC(=O)Cn1c(-c2ccccc2)cc2ccccc21)N1CCOCC1 24574584 BQTROYFXOJEZIV-UHFFFAOYSA-N 391.515 3.535 0 40 GHAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12574344 AJPVPZTYTBFIFE-WMZOPIPTSA-N 392.484 3.730 0 40 GHAB COc1ccc(C)cc1CCNC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1 24648675 DMPLEEDFQIONFG-UHFFFAOYSA-N 384.867 3.519 0 40 GHAB COCc1nn2c(O)cc(Cc3cccc(OC)c3)nc2c1-c1ccccc1 100776119 YOVZFGFEZPBZGE-UHFFFAOYSA-N 375.428 3.848 0 40 GHAB Cc1cc(=O)n2nc(CN[C@H](Cc3ccccc3)c3ccccc3)sc2n1 24734516 ZXMJTCXFOPLBID-GOSISDBHSA-N 376.485 3.533 0 40 GHAB COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3OC)[C@H](C)C(=O)[C@H]2C)c(OC)c1 55501569 CDLFHAJPNMKGLG-WJWAULOUSA-N 399.487 3.948 0 40 GHAB COC(=O)c1cc(NCC(=O)Nc2ccc(N3CCCC3)cc2)ccc1Cl 12522752 CDDAVTBHXMSXMX-UHFFFAOYSA-N 387.867 3.777 0 40 GHAB O=C1OCC[C@@H]1Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 1425445 LKTJWBCCCWNVKI-HNNXBMFYSA-N 398.509 3.734 0 40 GHAB CC(C)C(=O)NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1 57316610 IZKZDPVROLCYFF-UHFFFAOYSA-N 381.295 3.856 0 40 GHAB COc1ccc(CC(=O)O[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1F 107145466 NXAUULDUBRWCCS-HLLBOEOZSA-N 393.455 3.566 0 40 GHAB Cc1cccc(-n2c(C)nn(CN3CCN(c4ccccc4F)CC3)c2=S)c1 12563432 UISAQJCURDXWAS-UHFFFAOYSA-N 397.523 3.939 0 40 GHAB COC(=O)c1ccc2c(=O)[nH]c(COc3c(Cl)cccc3Cl)nc2c1 25683322 AADXAPOJVLIXMB-UHFFFAOYSA-N 379.199 3.596 0 40 GHAB CCCCc1noc(CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1 25452285 PAJXEHLEVJFXGB-UHFFFAOYSA-N 376.507 3.881 0 40 GHAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 23184879 BXFPORNCJOPTBO-UHFFFAOYSA-N 384.379 3.594 0 40 GHAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1oc2ccccc2c1COC 27424017 OWMDVKZRCIQQIC-UHFFFAOYSA-N 396.443 3.689 0 40 GHAB CS(=O)(=O)Cc1cccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)c1 58163387 VGOXLZOULORQSA-UHFFFAOYSA-N 375.465 3.570 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(C(=O)NC2CC2)c1 10205315 UABVBUNUFACWGP-UHFFFAOYSA-N 375.428 3.805 0 40 GHAB COc1ccccc1Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 3345598 LSYOSUOEGVELSW-UHFFFAOYSA-N 398.513 3.972 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCCc2ccccc21 2290003 CUKHLPJZCTUEQB-UHFFFAOYSA-N 395.434 3.875 0 40 GHAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 36384036 UOUIXTOYOLMRHJ-HHXXYDBFSA-N 392.565 3.724 0 40 GHAB C[C@@H](C(=O)N[C@@H](c1ccccc1)C1CCCC1)N1C(=O)c2ccccc2C1=O 2337475 CWAXEJXJFKZJHD-YWZLYKJASA-N 376.456 3.719 0 40 GHAB CCOc1ccc(NC(=O)CC2CCCC2)cc1S(=O)(=O)N1CCCCC1 12792100 IZSMXDWQNJTZLD-UHFFFAOYSA-N 394.537 3.779 0 40 GHAB O=C(CSc1nnnn1C1CCCC1)N(Cc1ccco1)C1=CCCCC1 8131571 UMHCLJUWCAQNST-UHFFFAOYSA-N 387.509 3.960 0 40 GHAB Cc1ccc(S(=O)(=O)NCCCOc2ccccc2)c(Br)c1 48343508 PWZHICCMCRIIBB-UHFFFAOYSA-N 384.295 3.505 0 40 GHAB O=C(CCNC(=O)c1sc2cc(F)ccc2c1Cl)NCc1cccnc1 48302462 NDICUZOYFVKENK-UHFFFAOYSA-N 391.855 3.525 0 40 GHAB COc1ccc2cc(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)c(C)nc2c1 12850776 PXWUVJGYPVRTFM-UHFFFAOYSA-N 377.444 3.571 0 40 GHAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NC[C@H](c1ccco1)N1CCCCC1 12871378 JQQOXBPPBWQJGE-RJRNSMGGSA-N 390.487 3.822 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)NC(C)C)n2-c2ccc(C)cc2)c1 3427125 XLTVGYJJEFLVLD-UHFFFAOYSA-N 396.516 3.868 0 40 GHAB Cc1cccc(-n2c(SCC(=O)NC(C)C)nc3ccccc3c2=O)c1C 3575982 DUOLLUGKFPRGCL-UHFFFAOYSA-N 381.501 3.619 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)N[C@H]3CCCc4ccccc43)CC2=O)cc1 3524973 NSAFJWZCOYKWLD-UTKZUKDTSA-N 378.472 3.632 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1cccs1)OCc1ccccc1 12932219 KBIRBVUADWEGQU-HXUWFJFHSA-N 394.496 3.902 0 40 GHAB COc1cc(CNC(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OC 12993319 XMWMOBLGSNPLCL-UHFFFAOYSA-N 384.457 3.766 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 12978383 LXHICUAMRNMSCS-UHFFFAOYSA-N 396.878 3.853 0 40 GHAB CC(C)[C@H](NC(=O)CCCNC(=O)c1ccccc1)c1nc2ccccc2[nH]1 48660024 WZZRJKXIABKHLD-FQEVSTJZSA-N 378.476 3.586 0 40 GHAB COc1ccc([C@H]2[C@H](C(=O)Nc3ccccn3)c3ccccc3C(=O)N2C)cc1 3657659 AXOLPJNJXJQFIO-RTWAWAEBSA-N 387.439 3.639 0 40 GHAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1C 8272584 BNCUXZLWOFVSII-UHFFFAOYSA-N 382.485 3.716 0 40 GHAB CCOc1cccc(-c2nn3c(=O)c(-c4ccccc4)nnc3s2)c1OCC 8393789 WMWCYPWJXXJHQJ-UHFFFAOYSA-N 394.456 3.677 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2cccc(F)c2)C(=O)[C@]31C 4073220 HNJCUAFYXUKCGJ-NRFANRHFSA-N 379.391 3.556 0 40 GHAB biogenic CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)c1 4551459 YHQSHIIGSJJNMD-CYBMUJFWSA-N 386.473 3.997 0 40 GHAB C[C@@H](NC(=O)CNC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1Cl 14387578 FMYHVBKHNQCSCD-LLVKDONJSA-N 398.265 3.809 0 40 GHAB Cc1ccc(NC(=O)CCSc2ccc(F)cc2)cc1S(=O)(=O)N(C)C 6602874 JQCJFTINBVDPHR-UHFFFAOYSA-N 396.509 3.505 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OC 5779661 UOAOUURMIDWSPK-VQHVLOKHSA-N 399.443 3.524 0 40 GHAB Cn1cc(-c2noc(C3(c4cccc(C(F)(F)F)c4)CCOCC3)n2)cn1 69948441 CKIWLQKWDYBWOO-UHFFFAOYSA-N 378.354 3.585 0 40 GHAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7498379 MMFQEPZAXQPWTR-HXUWFJFHSA-N 383.354 3.587 0 40 GHAB O=C(Nc1ccccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 7669239 TXVMALNKAPSJBW-FQEVSTJZSA-N 398.459 3.771 0 40 GHAB C/C(Nc1ccc(C(=O)O)cc1)=C1\C(=O)N(c2ccccc2C)C(=O)N=C1O 8970508 BUIYVFYCEVWJED-FOWTUZBSSA-N 379.372 3.502 0 40 GHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(-n2cnnn2)c1 8987112 IHVMTGBIMAQQRI-UHFFFAOYSA-N 393.834 3.848 0 40 GHAB Cc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)c1 9197957 GVJKXNPKNJTVAP-MRXNPFEDSA-N 392.484 3.928 0 40 GHAB COc1ccc(NC(=O)CSc2nc(C)c(Cc3ccc(O)cc3)[nH]2)cc1 9191702 ZKBNRNWYLQFUKV-UHFFFAOYSA-N 383.473 3.754 0 40 GHAB CCOC(=O)c1sc2ncnc(NCCCN3CCC(C)CC3)c2c1C 9256980 IFFYAXSLADIMGZ-UHFFFAOYSA-N 376.526 3.710 0 40 GHAB Cc1ccc(CC(=O)N2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)cc1 306133629 MRTLDPRVDHVXNV-RUZDIDTESA-N 398.510 3.518 0 40 GHAB CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCc4ccccc43)cc2)c1C 24648415 MNWLLYSYWNXWMX-UHFFFAOYSA-N 375.428 3.560 0 40 GHAB C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(-n2ccnc2)cc1 95350796 BYNQRZLEZKRIPD-LAUBAEHRSA-N 376.460 3.716 0 40 GHAB O=C(CCc1nc(CSc2nc3ccccc3[nH]2)no1)Nc1ccc(F)cc1 95481931 APSVWLGJBWXBJQ-UHFFFAOYSA-N 397.435 3.949 0 40 GHAB COc1ccc2c(-c3cc(OC)c(OC)c(OC)c3)c3c(nc2c1)COC3=O 85412471 JVABJGBNUVDILB-UHFFFAOYSA-N 381.384 3.607 0 40 GHAB COc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 20610433 SWVVBVIVLYINPD-UHFFFAOYSA-N 392.390 3.586 0 40 GHAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)c1 408624020 AMXKVRCSSCYGTP-UHFFFAOYSA-N 386.473 3.764 0 40 GHAB Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1 22255778 SXOMOAUYMLOAKR-LJQANCHMSA-N 390.487 3.886 0 40 GHAB O=C(COc1ccccc1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 8980613 VDUVFAYNDYYLHU-UHFFFAOYSA-N 399.450 3.531 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 32862675 AGSYIWYDQWHGFP-SFHVURJKSA-N 379.504 3.612 0 40 GHAB CC1(C)CN(C(=O)Nc2ccc(-c3nncs3)cc2)C[C@@H](C(F)(F)F)O1 564300315 BQICCVZIISAPQJ-LBPRGKRZSA-N 386.399 3.779 0 40 GHAB CSc1nc2n(n1)[C@@H](c1cccs1)[C@@H](C(=O)Nc1ccccc1)[C@@H](C)N2 36701745 YGZONMMUUAUSDW-UGFHNGPFSA-N 385.518 3.720 0 40 GHAB CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2c(C)cccc2C)c1C 71327001 ZNFWSHUVZOMDQZ-UHFFFAOYSA-N 391.475 3.657 0 40 GHAB Cc1ccc(C)c(Cn2nc3n(CCC(C)C)c(=O)c4sccc4n3c2=O)c1 64946111 BFFJTFDHUUNGMJ-UHFFFAOYSA-N 396.516 3.584 0 40 GHAB Cc1nc([C@H]2CCN(C(=O)Nc3ccc(C(C)(C)C(F)(F)F)cc3)C2)n[nH]1 561130379 BVBMQHNSNSLHHJ-LBPRGKRZSA-N 381.402 3.974 0 40 GHAB O=C(Nc1ccc(CC(=O)N2CCC(O)CC2)cc1)Nc1ccccc1Cl 44037223 LBYKGQNGQLIITG-UHFFFAOYSA-N 387.867 3.510 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2F)cc1Br 224883920 AZHWXZVXQSBQDT-UHFFFAOYSA-N 392.221 3.561 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 224774422 ZYSYMFYMCHIULC-IBGZPJMESA-N 382.504 3.626 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 224620650 HTUKHRXUFBHSSI-JOCHJYFZSA-N 380.532 3.832 0 40 GHAB Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1C 225475420 PVNXHUJUKUHSJJ-IBGZPJMESA-N 382.504 3.624 0 40 GHAB COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 44901173 NFPORIYQBVYHNF-AWEZNQCLSA-N 375.490 3.823 0 40 GHAB COc1ccc(-c2noc(CNC(=S)Nc3ccc(F)c(F)c3)n2)cc1 225824078 FYIWBAGCAYGSSU-UHFFFAOYSA-N 376.388 3.510 0 40 GHAB CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1cccc(C)c1)S(C)(=O)=O 220505277 INTVDIOQOMWMBT-IBGZPJMESA-N 378.538 3.546 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225329601 ITCGIYBGZZWCFW-UHFFFAOYSA-N 395.286 3.941 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1 223958515 ZDTYDDRXNKMUTC-RBUKOAKNSA-N 378.457 3.810 0 40 GHAB CC(=O)N(c1nc(C)c(C(=O)Nc2nnc(C3CC3)s2)s1)C1CCCC1 44892378 VAZYMOKKWXEXRP-UHFFFAOYSA-N 391.522 3.728 0 40 GHAB O=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 238840664 HTRUIIRLUHJVMF-GFCCVEGCSA-N 395.893 3.630 0 40 GHAB Cc1ccc(C(=O)N2C[C@@H](C(=O)Nc3ccccc3)C3(CCOCC3)C2)cc1 96078677 NNEYCRYXZCPVAH-FQEVSTJZSA-N 378.472 3.503 0 40 GHAB Cc1noc(C)c1-c1cc(C2CCN(S(=O)(=O)c3ccccc3)CC2)ccn1 257278093 OATRQUSBOKCIAH-UHFFFAOYSA-N 397.500 3.922 0 40 GHAB CCc1nccn1CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257333114 YAFIREUNXJXAPQ-GOSISDBHSA-N 382.439 3.527 0 40 GHAB COc1c(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)[nH]c2ccccc12 585081767 YHONOWBRSAUSOD-ZDUSSCGKSA-N 385.414 3.711 0 40 GHAB O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccnc(O[C@H]2CCOC2)c1 543462314 NBLBCQRDIZZRQS-IBGZPJMESA-N 377.400 3.689 0 40 GHAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccnc(Cc2cccc(F)c2)c1 257302380 SCSGUHJYROQEMA-GMAHTHKFSA-N 381.495 3.900 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCC2CCN(C(C)C)CC2)[C@@H]1c1ccc(C)cc1 257235858 GZVRVCZRPQEZMD-GGAORHGYSA-N 399.579 3.531 0 40 GHAB O=C(N[C@@H]1CCc2c(O)cccc21)c1nn(-c2ccc(F)cc2)c2c1CCC2 590405764 DOAGSIMTQCAVLG-GOSISDBHSA-N 377.419 3.623 0 40 GHAB CN1C(=O)[C@H](NC(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)Cc2ccccc21 1640272578 XUZOOQWSSFAZQP-LJQANCHMSA-N 375.472 3.783 0 40 GHAB C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)C[C@@H]1NC(=O)c2ccccc21 1152158451 RYZXNRYSHJBTIH-SIKLNZKXSA-N 384.426 3.763 0 40 GHAB O=C(Nc1nc2c(s1)CCCC2)C1CN(c2cc(-c3ccccc3)ncn2)C1 390828211 PLWGZLWXBVOSBZ-UHFFFAOYSA-N 391.500 3.554 0 40 GHAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@@H](c2cccs2)C1 825705068 IMWBVGHCCYVZKF-LLVKDONJSA-N 377.409 3.825 0 40 GHAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 5439230 UFEQMDWSVHKQQM-UHFFFAOYSA-N 378.881 3.831 0 40 GHAB CCn1c(N2CCC(C(=O)NCc3ccccc3OC)CC2)nc2ccccc21 12116383 RJLCIDLGBDETIZ-UHFFFAOYSA-N 392.503 3.598 0 40 GHAB COc1ccccc1CN(Cc1cc(OC)c2c(c1)OCO2)C[C@@H]1CCCO1 12187614 LXNGLDWTWZGHMD-SFHVURJKSA-N 385.460 3.614 0 40 GHAB O[C@H]1CCCN(c2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)C1 12221794 RLRYNXRMRAHVDD-LBPRGKRZSA-N 390.274 3.802 0 40 GHAB CCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1CCCOC 12409382 SKZBGJRPNHSUAV-UHFFFAOYSA-N 392.521 3.631 0 40 GHAB CCCCCNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 14399471 DMGCPIQLDASFSE-UHFFFAOYSA-N 395.352 3.846 0 40 GHAB O=C(c1ccco1)N1C[C@@H]2CCC[C@H](C1)C2n1nc(-c2ccccc2)ccc1=O 19374075 YWROPUIIZJCNSN-VSOVRNOCSA-N 389.455 3.617 0 40 GHAB COc1ccccc1NC(=O)c1cc([C@@H]2CCCN(Cc3ccccn3)C2)no1 19571315 IBIDAMQRYSOYRM-MRXNPFEDSA-N 392.459 3.710 0 40 GHAB CC(C)N(C(=O)c1ccc(Cn2ccccc2=O)o1)[C@@H]1CCCc2cccnc21 585080008 PPHMVZLORQCFSM-LJQANCHMSA-N 391.471 3.813 0 40 GHAB Cc1ccc(C)c(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 9990079 OBQXQMLZKIQLLB-UHFFFAOYSA-N 379.456 3.810 0 40 GHAB CCN1Cc2ccccc2NC2(CCN(Cc3ncccc3C)CC2)CC1=O 2037985791 WGQNYEXWDOQSFJ-UHFFFAOYSA-N 378.520 3.589 0 40 GHAB Cc1nc2ccccc2n1[C@@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 585149231 WMKSFUFNOQNCEJ-CQSZACIVSA-N 375.881 3.634 0 40 GHAB C/C=C(/C)C(=O)O[C@@H](COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O 39289465 WXULKGXQMWVWMP-AVHYGJPMSA-N 386.400 3.567 0 40 GHAB biogenic,in-vitro CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1ccccc1 779143 ZLIHFHJTJMCJSS-UHFFFAOYSA-N 398.488 3.713 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc1OC 904690 AWVFVLDIQRGUMH-UHFFFAOYSA-N 398.488 3.539 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccccc4)ncnc32)cc1 1346369 FTUSVPVENCCKGE-UHFFFAOYSA-N 375.457 3.855 0 40 GHAB Cc1cccc(C)c1OCC(=O)Nc1ccc(I)cc1 2057632 PEYBHSUKQVXQSM-UHFFFAOYSA-N 381.213 3.926 0 40 GHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1cccc(Cl)c1 2328054 QIANUZPXBIYDDN-SFHVURJKSA-N 380.835 3.921 0 40 GHAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(NCC(OC)OC)c23)CO1 2422611 HJHPKMNNBPRNHO-QGZVFWFLSA-N 383.539 3.685 0 40 GHAB COCCn1c(SCCOc2ccc(Cl)cc2)nc2ccccc2c1=O 2619962 HQVLAVZZVAFSOM-UHFFFAOYSA-N 390.892 3.867 0 40 GHAB O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)Nc1ccc(F)cc1 2693755 FZBMASZWPBWXQW-UHFFFAOYSA-N 379.435 3.756 0 40 GHAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@](=O)C3)cc1 2725014 KNOCECRMMBVAOR-NDEPHWFRSA-N 395.484 3.594 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)cc3)n2N)cc1 3271194 YOUNQXSZDVZDBD-CQSZACIVSA-N 381.505 3.649 0 40 GHAB COC(=O)c1ccc(OC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 3560555 IMHDMILUNIUOPP-UHFFFAOYSA-N 381.384 3.876 0 40 GHAB CC(C)(C)c1cnnn1-c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 3582131 PNCYKXNYLOTGCX-VZUCSPMQSA-N 390.443 3.945 0 40 GHAB O=c1c(=O)n(Cc2cccc(C(F)(F)F)c2)ccn1Cc1ccc(Cl)cc1 4483196 OIEKYFDYBMWSNF-UHFFFAOYSA-N 394.780 3.779 0 40 GHAB O=C(Nc1ccc(I)cc1)Nc1ccc2snnc2c1 4739871 AXOXNZUCEQCHEK-UHFFFAOYSA-N 396.213 3.940 0 40 GHAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)s1 4893401 WOOCFBXPGBHQIG-PKIAMQTDSA-N 379.478 3.563 0 40 GHAB O=S(=O)(CCc1nnc(-c2ccccc2)o1)c1ccc(Br)cc1 4893635 KUTBVBYTYAZREU-UHFFFAOYSA-N 393.262 3.516 0 40 GHAB COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=N)NC3=O)cc2Cl)cc1 5007641 LZTKIBIBABVKAB-DHDCSXOGSA-N 388.832 3.706 0 40 GHAB Cc1ccc(C)c(Cn2cnc3c(nnn3-c3ccc(C)c(Cl)c3)c2=O)c1 5057375 YETKULCUCSXMKH-UHFFFAOYSA-N 379.851 3.604 0 40 GHAB Cc1cc(Br)c(NC(=O)CN2CCCC2)c(Br)c1 5724701 QNYJWZOARQENEW-UHFFFAOYSA-N 376.092 3.554 0 40 GHAB Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(C)C3=O)cc2)cc1 6476774 CTLQXPMVYCXYKA-GZTJUZNOSA-N 382.441 3.679 0 40 GHAB Cc1ccc2nc(CN3CCC(c4nc5ccccc5s4)CC3)cc(=O)n2c1 6650400 MGNUIIZMHOFVHZ-UHFFFAOYSA-N 390.512 3.992 0 40 GHAB CCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 6879567 KWHXYTMZPCDCIN-UHFFFAOYSA-N 394.924 3.678 0 40 GHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2c(C)cc(C)cc2C)cc1 6880265 CSRJSRQTRSZAQH-UHFFFAOYSA-N 388.533 3.871 0 40 GHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCCCOC1CCCCC1 6989380 MHPOWLSQYRNSGN-UHFFFAOYSA-N 375.444 3.664 0 40 GHAB C[C@H](NC(=O)CSc1nnc(-c2ccncc2)n1C)c1cc2ccccc2o1 7329618 VILANLFQUGYFJF-ZDUSSCGKSA-N 393.472 3.593 0 40 GHAB CCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCCc1ccccc1 7503749 SGNJULBIFXRWEE-INIZCTEOSA-N 395.528 3.646 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(N)s2)c2ccccc2)c1 7534463 NIMDSOWWFKREQH-OAHLLOKOSA-N 384.486 3.795 0 40 GHAB CSc1ncccc1C(=O)OCC(=O)N1CC[C@H](C)Sc2ccccc21 7657260 AVAIWZXEZJZTKG-ZDUSSCGKSA-N 388.514 3.878 0 40 GHAB COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(Cl)c1O 8109285 PRJOLLJKWQGVTM-UHFFFAOYSA-N 376.909 3.548 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 8991531 QFIRSLLYLTVVSM-MRXNPFEDSA-N 377.444 3.667 0 40 GHAB CC(=O)c1c(C)nc(O)nc1SCc1cc(Cl)c2c(c1)OCCCO2 9051045 KOXHXMLJFPAEGO-UHFFFAOYSA-N 380.853 3.800 0 40 GHAB Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(C)c1 9071616 OWDZDQDTGKBWMC-UHFFFAOYSA-N 383.467 3.732 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(Cl)c2)cc1 9237293 VXLSSHPEVGEHKP-IRXDYDNUSA-N 399.907 3.946 0 40 GHAB CCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1ccccc1O)C3 9355689 YAGHPHUHDZTOFO-OAHLLOKOSA-N 384.439 3.972 0 40 GHAB Cc1ccc(-n2nnnc2CNC(=O)CC(c2ccccc2)c2ccccc2)cc1 9570602 JTCIGRAXJGVGIU-UHFFFAOYSA-N 397.482 3.809 0 40 GHAB C[C@H](Nc1ccc(N2CCCCCC2)cc1)C(=O)N1CC(=O)Nc2ccccc21 9604411 CIOQDGGGBUTCBB-KRWDZBQOSA-N 392.503 3.853 0 40 GHAB Cc1ccc(N(CCCC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cc1C 10365245 BSEYKOYNZWTZDN-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB O=C(CCSc1ncccc1Cl)Nc1ccc(N2CCOCC2)cc1 11034054 USGUXRJDKDSCRB-UHFFFAOYSA-N 377.897 3.693 0 40 GHAB CSc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1 11694883 YJVFSZXYNJBFPS-BVGQSLNGSA-N 379.489 3.658 0 40 GHAB O=C(CCc1nc2ccccc2[nH]1)NCc1ccccc1CN1CCCCC1 11715862 QHPRAHNHZUEXMK-UHFFFAOYSA-N 376.504 3.798 0 40 GHAB Cc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)on1 12087351 UEGXBEQDUBHUQT-MRXNPFEDSA-N 376.460 3.811 0 40 GHAB O=C1C[C@H](C(=O)N[C@H](Cc2ccsc2)c2nccs2)c2ccccc2N1 12226830 XKUFTKHMSHLGMI-GOEBONIOSA-N 383.498 3.731 0 40 GHAB OC1(c2ccccc2F)CCN(Cc2ccccc2OC[C@H]2CCCO2)CC1 12240590 XVYMLDMQOYYEPG-LJQANCHMSA-N 385.479 3.867 0 40 GHAB Cc1ncc(CN2CC[C@@]3(CCCN(Cc4ccc(C(C)C)cc4)C3=O)C2)cn1 12302287 VSQLUTMWABIBAD-DEOSSOPVSA-N 392.547 3.923 0 40 GHAB Cc1cnc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 12408052 KRJLJPUJKHBOMI-JOQOYGCGSA-N 391.393 3.876 0 40 GHAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1CCCCC1 12538342 QSJQYMVCJJIMKE-UHFFFAOYSA-N 381.542 3.668 0 40 GHAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(I)cc1 12619160 YIVHTRNIDVESLE-GFCCVEGCSA-N 392.240 3.681 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1ccc(F)cc1 12974230 YHNNWAOUCKWIDK-UHFFFAOYSA-N 387.842 3.697 0 40 GHAB CC(C)[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)N1CCOCC1 12978387 GHVBVQBSOQCJKG-QGZVFWFLSA-N 376.884 3.687 0 40 GHAB CCN(CC(=O)Nc1cc(C)ccc1C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13075692 UPSCEBADAFXITA-UHFFFAOYSA-N 398.894 3.654 0 40 GHAB COc1ccccc1-c1nc(CC(=O)NC2CC(C)(C)NC(C)(C)C2)cs1 13734802 OHUCJCGMPFNBHS-UHFFFAOYSA-N 387.549 3.787 0 40 GHAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OC 14009763 ZNHPLVXOUMUZOT-OVCLIPMQSA-N 390.798 3.589 0 40 GHAB Cc1cc(C(=O)N2CCCCCC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C 14197594 LAPYPOIDDBOVOH-UHFFFAOYSA-N 392.565 3.740 0 40 GHAB COc1ccc(NC(=O)NCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 14344187 SOLLOZPFCHRYBW-UHFFFAOYSA-N 396.472 3.969 0 40 GHAB COc1ccc(C(=O)OC2CCCCC2)cc1S(=O)(=O)N1CCCC[C@H]1C 14464546 QCEPPUDZLHVHHJ-OAHLLOKOSA-N 395.521 3.748 0 40 GHAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC(C(=O)Nc2ccccc2O)CC1 15044210 BCOZCHIFQIFKFD-OAHLLOKOSA-N 391.471 3.795 0 40 GHAB CC(=O)N(C)C1CCC2(CC1)CN(Cc1ccncc1)Cc1ccccc1O2 19016299 IBHGEVNEEDKTGW-UHFFFAOYSA-N 379.504 3.636 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 19463026 IZGBIQDJIUXIFK-QRFQSNJMSA-N 382.529 3.708 0 40 GHAB COc1cccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccccc4OC)cnn32)c1 20724954 FRKBWUIQZCXXMD-QGZVFWFLSA-N 392.415 3.739 0 40 GHAB CC(=O)c1cccc(NC(=O)COc2cccc(I)c2)c1 20892584 ABLZOUGKQZZGGF-UHFFFAOYSA-N 395.196 3.511 0 40 GHAB CN(CCOc1cccc(Cl)c1)C(=O)C[C@@H]1Sc2ccccc2NC1=O 21709909 PVIKGOQYZNMDIJ-KRWDZBQOSA-N 390.892 3.680 0 40 GHAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc2ccccc12 21919591 FMULJYYTMLOPKP-QFIPXVFZSA-N 378.447 3.782 0 40 GHAB CN1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 22034874 OTBVCMZNJBUSFU-INIZCTEOSA-N 392.330 3.710 0 40 GHAB CCc1nnsc1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 22699400 LISLNXUUUBCRJW-UHFFFAOYSA-N 391.453 3.574 0 40 GHAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 22788084 FNRSOHSFDYESQC-MSOLQXFVSA-N 385.939 3.724 0 40 GHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2c(c1)OCCO2 23829094 SWIBWOFPOJLEJS-UHFFFAOYSA-N 381.259 3.835 0 40 GHAB c1ccc(-c2noc(CSc3nnc([C@H]4COc5ccccc5O4)o3)n2)cc1 26436649 ZHCBZARBHXYDCY-OAHLLOKOSA-N 394.412 3.924 0 40 GHAB O=C(c1ccco1)N1CCN(C(=O)c2ccccc2Nc2ccc(F)cc2)CC1 27156656 TZUBINPRCFPLOC-UHFFFAOYSA-N 393.418 3.761 0 40 GHAB CCN(CC)[C@H]1Oc2cc3c(cc2[C@@H](c2cccc(OC)c2O)[C@@H]1C)OCO3 31861175 WPDLZCMMCBSTQN-NJDIQBRYSA-N 385.460 3.958 0 40 GHAB C[C@H](Cn1cc(Br)cn1)C(=O)NCc1cccc(C(F)(F)F)c1 32610826 MMJUGPCKMFXWEP-SNVBAGLBSA-N 390.203 3.617 0 40 GHAB C[C@@H](Nc1cccc(CN2CCC(O)CC2)c1)C(=O)Nc1ccccc1Cl 32814834 VRODTOQSEHVUBF-OAHLLOKOSA-N 387.911 3.736 0 40 GHAB CNC(=O)c1cccc(CNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c1 32816715 OGOSBIJHUBMFNQ-KRWDZBQOSA-N 388.467 3.797 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)c12 32911473 NGRYRKQNMONZLA-SFHVURJKSA-N 390.487 3.803 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 32914482 CAELXEFBFRPKDJ-ZDUSSCGKSA-N 378.428 3.698 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)C(C)C 32969016 IOEOMGUEGWIGTF-QGZVFWFLSA-N 376.403 3.990 0 40 GHAB CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccccc2)C1=O 34087013 IFJHSRCROOELOP-FOWTUZBSSA-N 384.457 3.855 0 40 GHAB CCc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)OCCCO4)ccc12 35686475 ILDHMWZRRBSZIS-UHFFFAOYSA-N 380.396 3.778 0 40 GHAB COCCn1c(S[C@@H](C)c2nnnn2-c2ccccc2)nc2ccccc21 40089636 FBSSRUPABUTEHV-AWEZNQCLSA-N 380.477 3.512 0 40 GHAB O=C(Nc1ccccc1OC(F)(F)F)N1CCN(Cc2ccsc2)CC1 40104280 ZCALXFRUXOBOCI-UHFFFAOYSA-N 385.411 3.996 0 40 GHAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCN(Cc2ccsc2)CC1 40104640 AZAZDSUEKCLUAQ-UHFFFAOYSA-N 385.411 3.996 0 40 GHAB Cc1nc(NC(=O)c2cn3ccccc3n2)sc1Cc1ccc2c(c1)OCO2 40160138 TYEYYEHCPIKMHD-UHFFFAOYSA-N 392.440 3.671 0 40 GHAB O=C(Cn1ccc(C(F)(F)F)n1)N[C@H](c1ccccc1)c1ccc(F)cc1 45407304 MGLRYJVIQDPWFM-GOSISDBHSA-N 377.341 3.947 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 48253338 WVSAIGWZYRQYAE-SFHVURJKSA-N 376.460 3.511 0 40 GHAB O=C(Nc1ccccc1)c1cccc(CSc2nnnn2Cc2ccco2)c1 48355113 FGJBKUQRNAVBGP-UHFFFAOYSA-N 391.456 3.859 0 40 GHAB O=C1NC2(CCCCC2)C(=O)N1CN1CCC(c2nc3ccccc3s2)CC1 57395352 CUCHBYRQRBVDBI-UHFFFAOYSA-N 398.532 3.688 0 40 GHAB CC[C@@H]1CCCCN1C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CC(C)C 67237671 RSSBTDPBFZXKMY-OAHLLOKOSA-N 390.553 3.572 0 40 GHAB Nc1c(-c2ccccc2)nsc1C(=O)NC1CCN(Cc2ccccc2)CC1 67334734 YUDQLXAULXOPJZ-UHFFFAOYSA-N 392.528 3.787 0 40 GHAB O=C(Cc1cccc2ccccc12)N1CCc2c(cccc2N2CCOC2=O)C1 72303025 KSQVKVHVUCKMES-UHFFFAOYSA-N 386.451 3.924 0 40 GHAB Cc1nc(C)c(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccc(Cl)cc2)o1 72396988 HFZHFYFCOWUDDD-KRWDZBQOSA-N 384.867 3.997 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCC[C@H](O)c2cccc3ccccc23)cc1Cl 77118598 XAXZIOPSLLYUFO-FQEVSTJZSA-N 396.874 3.980 0 40 GHAB CCO[C@H]1C[C@H](NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)C12CCCCC2 78879008 SJAKRCIVKWSBEE-OALUTQOASA-N 397.519 3.835 0 40 GHAB CNC(=O)c1cc(N(C)C(=O)[C@@H](Sc2ccccc2)c2ccccc2)ccn1 79065732 VKUHBMVEVGFTLW-FQEVSTJZSA-N 391.496 3.938 0 40 GHAB Cc1cc(Br)cc2c1NC(=O)[C@]21CC(O)=Nc2c1cnn2C(C)C 79474061 RMABPDYNNFGIME-QGZVFWFLSA-N 389.253 3.765 0 40 GHAB CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)O)cc1 95424906 CYQHLXKIAIQEGB-CBGDNZLLSA-N 397.471 3.554 0 40 GHAB CN(C)CC[C@@H](NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C 95442931 VTZWVAQROSQJEV-IAGOWNOFSA-N 383.577 3.506 0 40 GHAB Cc1cc(NC(=O)c2cccc3c2oc(=O)n3C)n(-c2ccc(Cl)cc2)n1 95975627 NGTJFKGQJZQRNJ-UHFFFAOYSA-N 382.807 3.531 0 40 GHAB Cc1cccc([C@@H](CN[C@@H](C)CCc2n[nH]c3ccccc23)N2CCOCC2)c1 96008165 TUAZMMGYCQYWLV-YADARESESA-N 392.547 3.856 0 40 GHAB O=C(N[C@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1ccncc1 96079845 BTNADECEIFQYQT-FQEVSTJZSA-N 377.488 3.580 0 40 GHAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)c(Cl)c2)c1 101592500 UTTYAVBIROUIHG-KBPBESRZSA-N 378.259 3.918 0 40 GHAB CCc1ccc(OCc2nnc(SCC(=O)c3ccc(OC)cc3)n2C)cc1 107604080 MGGZTEVVYUMNKY-UHFFFAOYSA-N 397.500 3.940 0 40 GHAB CCOC(=O)c1cc(N)ccc1Nc1ccc(I)cc1 109770318 GTMSDLSFYQQPSI-UHFFFAOYSA-N 382.201 3.794 0 40 GHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 113954735 VKYFAFVXHIIOQH-IBGZPJMESA-N 381.520 3.770 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O)N1CCCCC1 205813782 HOSZYLXLVJLQQU-GXDHUFHOSA-N 398.406 3.754 0 40 GHAB O=C(/C=C/c1ccco1)NC1CCN(c2nc(-c3cccnc3)cs2)CC1 206985237 APPLHUPCABTVOP-AATRIKPKSA-N 380.473 3.597 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(N2CCCC2=O)c1 219215604 JILYATGXJCIKDA-LJQANCHMSA-N 394.471 3.854 0 40 GHAB CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 223344622 JEHCEIRYHZCLKB-GGAORHGYSA-N 394.515 3.852 0 40 GHAB COc1ccc(OCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 224214372 KYVKERGZTSFDRK-UHFFFAOYSA-N 390.288 3.500 0 40 GHAB CCN(CC)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 224237608 OMXNDDGRHLHPLL-UHFFFAOYSA-N 394.924 3.956 0 40 GHAB O=C(NCCOc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 224537412 FLNAVERYOIEFJF-UHFFFAOYSA-N 390.886 3.886 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1 224999131 RKCLCJSBWHTGNE-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCCOc1ccc(Cl)cc1)CCCC2 225113003 HHEKZCODXARJCN-UHFFFAOYSA-N 395.908 3.585 0 40 GHAB COc1ccc(CNC(=O)N2CC[C@@H](Oc3ccc4ccccc4n3)C2)cc1 225740019 ZLDQAGZILKAAHK-LJQANCHMSA-N 377.444 3.606 0 40 GHAB COC(=O)c1ccc2[nH]c(-c3cccc(I)c3)nc2c1 226235680 DTBNPGDYSGDMCF-UHFFFAOYSA-N 378.169 3.621 0 40 GHAB CC(C)O[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@H]21 227051914 UDCFLSZANCKOQT-QXCZDIPSSA-N 382.497 3.657 0 40 GHAB Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 243322013 LNVQVLPPSIVRLX-AWEZNQCLSA-N 377.271 3.971 0 40 GHAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 244452665 ZCRDRDGHIKKODX-CQSZACIVSA-N 377.271 3.971 0 40 GHAB C[C@@H]1C[C@H]1C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1 257235870 GZXFRRPTUHVIMB-CRAIPNDOSA-N 382.529 3.708 0 40 GHAB O=C1c2cccnc2C2(CCN(Cc3ccccn3)CC2)N1Cc1ccccc1 306127347 FWMJTMDFGSGPJY-UHFFFAOYSA-N 384.483 3.624 0 40 GHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccccc1F 408702242 AJKDDBCBJKDGAR-UHFFFAOYSA-N 384.432 3.907 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)NC[C@H](C)c3ccccc3)CC2=O)cc1 408706583 BWZWOFFJGQTSSQ-PKOBYXMFSA-N 380.488 3.748 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(F)c(F)c1F 409324276 SUMSSXCFPCEMMA-MDWZMJQESA-N 392.358 3.779 0 40 GHAB Cn1cc([C@@H]2CN(C(=O)c3cc(-c4ccccc4)[nH]n3)Cc3ccccc32)cn1 575620914 WOXIDUWIQCOFNZ-FQEVSTJZSA-N 383.455 3.598 0 40 GHAB COCc1nocc1C(=O)N1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 585085520 HYTFFOZJGQCART-OAQYLSRUSA-N 378.428 3.769 0 40 GHAB O=C(CCc1ccc(Cl)cc1)N1CCC[C@]2(CCN2C[C@H]2CCCO2)C1 585101802 HKSXFUCULRDLJV-CTNGQTDRSA-N 376.928 3.519 0 40 GHAB O=C(c1cc(Br)ccc1Cl)N1CC[C@@H](Oc2nccs2)C1 585320558 IFYAZHLHTCQNDE-SNVBAGLBSA-N 387.686 3.853 0 40 GHAB CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCN(C[C@@H](O)C(C)(C)C)CC1 1615540312 JJTGONJHZLYLKA-QGZVFWFLSA-N 386.458 3.649 0 40 GHAB Cc1c(S(=O)(=O)NC[C@@H](O)[C@H](C)c2ccccc2)sc2cccc(F)c12 1665228905 RLYIBSLRVKVQTP-MLGOLLRUSA-N 393.505 3.792 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)Nc1ccc2c(c1)OCO2 1775978110 NEZUFTRVKSIDOI-INIZCTEOSA-N 382.441 3.999 0 40 GHAB O=C(/C=C/c1cccs1)N1CCC[C@]2(CC1)CN(Cc1ccoc1)CCO2 2055785409 WPCUZOIZTOAZKA-FNEOHHHZSA-N 386.517 3.638 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)ccc1OC 779188 RWEQXKNMSWUXMY-UHFFFAOYSA-N 396.516 3.937 0 40 GHAB CC(C)[C@@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccccc1 29448315 ZVGRUAHXRGPCSP-LJQANCHMSA-N 375.428 3.656 0 40 GHAB O=C(N[C@@H]1C(=O)NN(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 3171909 SAEOQJCJCQYVBK-PMACEKPBSA-N 391.858 3.731 0 40 GHAB CCOc1ccc(NC(=S)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 4857660 YQJWRQPYNKZTEW-UHFFFAOYSA-N 389.565 3.943 0 40 GHAB CCCNC(=O)CN1C(=O)S/C(=C\c2c(OCC)ccc3ccccc23)C1=O 6879574 NDWXNCSZWVBFAD-PDGQHHTCSA-N 398.484 3.801 0 40 GHAB COc1cc(/C=C2/SC(=N)NC2=O)ccc1OCCOc1ccccc1C 6973964 WFHMEDJBCBIGJT-LDADJPATSA-N 384.457 3.600 0 40 GHAB Cc1sc2nc(S[C@@H]3CCOC3=O)n(Cc3ccccc3)c(=O)c2c1C 2661229 IPXMFYVYAJNISN-CQSZACIVSA-N 386.498 3.531 0 40 GHAB CN(Cc1ccccc1)C(=O)COc1ncnc2c(Cl)cc(Cl)cc12 2630167 KUBZCCXKGDIIEC-UHFFFAOYSA-N 376.243 3.974 0 40 GHAB Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NCc2ccccc2)C1 8623873 KIAJYTXLRKDVLZ-WOJBJXKFSA-N 387.487 3.796 0 40 GHAB biogenic,in-vitro Cc1nc2ccc(NC(=O)COc3cccc(N4CCCC4=O)c3)cc2s1 10784380 KZLYCVBFBFSZPC-UHFFFAOYSA-N 381.457 3.749 0 40 GHAB O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccs1 7537653 QEBFLSNGJREKGC-UHFFFAOYSA-N 391.876 3.680 0 40 GHAB COc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1F 8777955 IPOWQNHFWJTBOG-UHFFFAOYSA-N 382.391 3.539 0 40 GHAB CC(=O)Nc1ccc2nc(S[C@@H](C)C(=O)Nc3nccs3)sc2c1 59489606 HIFOAKDWGDTSFN-QMMMGPOBSA-N 378.504 3.831 0 40 GHAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 9063566 RQLDYIIYBBVEJK-UHFFFAOYSA-N 384.451 3.853 0 40 GHAB CCN1CCOc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2C1=O 9828108 LZGRPPIQDKCOKR-UHFFFAOYSA-N 378.350 3.812 0 40 GHAB CC(=O)Nc1ccc(NC(=O)COc2ccc(C)cc2Br)cc1 723739 FNKYJKSLNYPJIZ-UHFFFAOYSA-N 377.238 3.733 0 40 GHAB C[C@H](C(=O)N(C)c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1 22776662 RUTJTEWLVPBCGN-OAHLLOKOSA-N 377.941 3.571 0 40 GHAB CC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1 23074319 GSGSNOLUFJFYDZ-UHFFFAOYSA-N 377.444 3.792 0 40 GHAB O=C(C[C@@H]1C(=O)N(C2CCCC2)c2nc3ccccc3n21)NCc1ccccc1 23382368 OCOVGRNVTZGLAE-HXUWFJFHSA-N 388.471 3.573 0 40 GHAB Cc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 9709577 ULBOGEDXTVKRGI-UHFFFAOYSA-N 375.432 3.585 0 40 GHAB COC(=O)C1=CN(Cc2cccs2)C=C(C(=O)OC)C1c1cccc(F)c1 1071773 JCTDKGHFEGGSEU-UHFFFAOYSA-N 387.432 3.600 0 40 GHAB O=C(NCCOc1ccccc1-c1ccccc1)C(=O)Nc1ccc(F)cc1 59417417 CTBZAQLYAPFGNI-UHFFFAOYSA-N 378.403 3.626 0 40 GHAB O=C(Cc1ccccc1)Nn1c(-c2ccc(Br)cc2)csc1=O 3196091 PDCCPSUXLIMVBG-UHFFFAOYSA-N 389.274 3.652 0 40 GHAB Cc1cnc2c(S(=O)(=O)Nc3cccc(NC(=O)C4CC4)c3)cccc2c1 12536266 DVZWVNVEZGLYSB-UHFFFAOYSA-N 381.457 3.693 0 40 GHAB C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(-n2cncn2)cc1 12593521 YPNXFQUYHOVCGJ-CYBMUJFWSA-N 395.513 3.872 0 40 GHAB C[C@H](Sc1ccccn1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12528336 AQXGNVRTGLEXAX-JTQLQIEISA-N 381.379 3.566 0 40 GHAB CCOC(=O)c1sc(N2CCNCC2)nc1-c1cc(Cl)cc(Cl)c1 21986855 JOGYMROMYLUNJV-UHFFFAOYSA-N 386.304 3.703 0 40 GHAB O=S(=O)(c1ccc(-c2nc3ccccc3s2)cc1Cl)N1CCOCC1 27228916 PDZXCCHOMVGUDR-UHFFFAOYSA-N 394.905 3.638 0 40 GHAB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1coc2cc3c(cc12)CCC3 58014584 QWTXFLCRQTUOBU-NRFANRHFSA-N 391.467 3.755 0 40 GHAB CC(C)c1c(C(=O)N[C@@H](C)COCC(F)(F)F)cnn1-c1ccc(F)cc1 58229484 MHWVZINTAHAIFK-LBPRGKRZSA-N 387.377 3.832 0 40 GHAB Cc1ncc(CN(C)C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)s1 58282140 YBNPSRPYCDXHPB-CYBMUJFWSA-N 398.492 3.512 0 40 GHAB COc1ccc(-c2nsc(NC(=O)COc3cccc(C)c3C)n2)cc1OC 27740047 QTPSWPGIMALWIB-UHFFFAOYSA-N 399.472 3.857 0 40 GHAB Cc1c(C(=O)NCCCn2cnc3ccccc32)oc2c1C(=O)CC(C)(C)C2 44975709 RPULAMOLWLBKIV-UHFFFAOYSA-N 379.460 3.913 0 40 GHAB CCCS(=O)(=O)Nc1cccc(C(=O)N[C@]2(C)CCCc3ccccc32)c1 58344191 HGLKDOXHHYLZEN-OAQYLSRUSA-N 386.517 3.820 0 40 GHAB C[C@H]1CCc2c(sc3nc(SCC(=O)NCc4ccccc4)nc(N)c23)C1 2252389 NFHKASQZEVQBJM-LBPRGKRZSA-N 398.557 3.807 0 40 GHAB CCOC(=O)N1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 28197521 SZOSAMDFIAITTO-UHFFFAOYSA-N 395.484 3.878 0 40 GHAB O=C([C@@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1)N1CCCCC1 12606465 ZROOSCVMHANGGY-QFIPXVFZSA-N 377.488 3.979 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cccc(C(F)(F)F)c1 36652338 CKQPMMWFYCYZJG-LBPRGKRZSA-N 377.366 3.881 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)c1C 7729399 GLNPGCLTGYDZQD-OAHLLOKOSA-N 388.489 3.749 0 40 GHAB CN(CC(=O)Nc1cccc(I)c1)Cc1ccc(F)cc1 3338085 JNQMDKCAUNOPSS-UHFFFAOYSA-N 398.219 3.501 0 40 GHAB COc1ccc(C)cc1N[C@@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O 3324927 KUPVLOWOAPEYFR-CQSZACIVSA-N 378.350 3.766 0 40 GHAB CN(C)[C@H](CNC(=O)c1ccc(F)cc1Br)c1cccc(F)c1 12780491 QLMUVARROOXFOA-MRXNPFEDSA-N 383.236 3.760 0 40 GHAB C[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(F)c(F)c1 12763115 BGBVPXKKXLHPHP-CQSZACIVSA-N 387.430 3.630 0 40 GHAB CC[C@H](CNC(=O)Nc1cccnc1N1CCCC1)N1CCc2ccccc2C1 48237843 XEHOENYWUJSWFA-HXUWFJFHSA-N 393.535 3.640 0 40 GHAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NC[C@@H](c1ccco1)N1CCCCC1 12871385 JQQOXBPPBWQJGE-VIOKTNGOSA-N 390.487 3.822 0 40 GHAB COc1cc(COc2ccc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)cc2)ccc1C 62715720 BYBQBUKECVYLQW-FQTAANOTSA-N 397.471 3.821 0 40 GHAB Cc1ccccc1Cn1cc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C)cn1 28229720 JSRGEVYUWKDMLN-CQSZACIVSA-N 391.397 3.963 0 40 GHAB COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 13294500 WOQQYSDHPWNBPP-UHFFFAOYSA-N 396.468 3.641 0 40 GHAB COCCNC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O 4089602 BHJODBZKPASBNH-UHFFFAOYSA-N 391.423 3.820 0 40 GHAB biogenic O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1ccc(NC2CCCCC2)cc1 65479042 MNNCQGYSXURJOS-UHFFFAOYSA-N 394.450 3.919 0 40 GHAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCCc2cc(OC(F)F)ccc21 65744019 LNFLMLMWLYNAHZ-UHFFFAOYSA-N 386.354 3.829 0 40 GHAB COc1cccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1 8247824 AMRZWOLMGXNASA-NSHDSACASA-N 379.243 3.994 0 40 GHAB CN(C)C(=O)[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 5561291 LDJOUTCSICSQDP-IBGZPJMESA-N 392.411 3.518 0 40 GHAB CCc1ccccc1NC(=O)[C@@H]1Sc2nnc(CC)n2N[C@@H]1c1ccccc1 6811835 XQZMPXKNBNHZFT-RTBURBONSA-N 393.516 3.801 0 40 GHAB CCCn1nc(C(=O)Nc2nc(-c3ccncc3)cs2)c2ccccc2c1=O 6830917 AABKWZBJAYOKBC-UHFFFAOYSA-N 391.456 3.577 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(C)cc1)S2 6811879 ZKFUXPSUDJKJSM-OALUTQOASA-N 393.516 3.855 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)c2cccc(C)c2)cc1 409251017 NUWGUSHJFPEPNE-UHFFFAOYSA-N 388.533 3.661 0 40 GHAB Cc1cccc(C)c1OCC(=O)N1CCN(c2nsc3ccccc23)CC1 9047190 QWPKNZSQWJISML-UHFFFAOYSA-N 381.501 3.641 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)N2CCN(c3ccccc3F)CC2)cc1 9875081 GLZXCNLZGBBQOB-UHFFFAOYSA-N 398.526 3.699 0 40 GHAB COc1ccc(-c2nc(C[S@@](=O)CC(=O)NC3CCCCC3)cs2)cc1 71801157 RAJAJSNSQJADGU-SANMLTNESA-N 392.546 3.516 0 40 GHAB CC[C@@H](NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccccc1 22522640 XHNJMVBSBMDWHZ-HXUWFJFHSA-N 396.512 3.873 0 40 GHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cc(C)ccc1OC 9646317 FACNTSKXUFAGOH-UHFFFAOYSA-N 391.470 3.806 0 40 GHAB CN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCc2ccccc21 9646026 NVSFRBCYJBZLAC-NRFANRHFSA-N 377.488 3.761 0 40 GHAB COC(=O)[C@@H](C)[C@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccccc1 72312099 YJEUHHBKMBTXKD-LIRRHRJNSA-N 397.862 3.806 0 40 GHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@H]1CSc2ccccc2O1 84583023 YTDGDZRQCQMXTI-MRXNPFEDSA-N 397.418 3.935 0 40 GHAB C[C@@]1(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)CC1(Cl)Cl 84673286 IWWAJGKHLFQTFB-KRWDZBQOSA-N 375.259 3.621 0 40 GHAB Cc1cc(C)nc(NCc2cccc(C(=O)NCCc3cccc(F)c3)c2)n1 95467405 FJQUHKCQDPXMLN-UHFFFAOYSA-N 378.451 3.817 0 40 GHAB CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)no2)cc1 98212213 DSOQSEWMMNRYOE-GOSISDBHSA-N 380.423 3.919 0 40 GHAB CSCC[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)O 95997729 KVCLLILBXUCAHJ-IBGZPJMESA-N 399.491 3.974 0 40 GHAB Cc1nc(NC[C@@](C)(O)c2cnn(C)c2)c2c(-c3ccccc3)csc2n1 95961073 IBCDFZXDCNUNMB-HXUWFJFHSA-N 379.489 3.720 0 40 GHAB Cc1ccc(C)c(N(CCCC(=O)Nc2cccc(F)c2)S(C)(=O)=O)c1 408705832 OIAOURPLVHNGHM-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O 409094607 DTNIBPSAVGRWKE-MHWRWJLKSA-N 388.420 3.604 0 40 GHAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NC[C@H]4CCCO4)cc3)ccc12 32975803 LWBUWWRNMKAQAU-LJQANCHMSA-N 393.439 3.589 0 40 GHAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1ccc2c(c1)OCCO2 32610044 WANYPQKYAALTHV-UHFFFAOYSA-N 387.798 3.747 0 40 GHAB O=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408702841 PAVZQHNABITQSO-UHFFFAOYSA-N 393.896 3.552 0 40 GHAB CCN1CCN(C(=S)c2ccc(OCc3ccc(F)cc3)c(OC)c2)CC1 408577196 RUWDLZMBMHLKGE-UHFFFAOYSA-N 388.508 3.726 0 40 GHAB O=C(CCc1ccccc1)N1CC[C@]2(C1)CN(Cc1cccnc1)c1cccnc12 306144301 ZBVREMOJUSKCGU-VWLOTQADSA-N 398.510 3.600 0 40 GHAB CC[C@H]1CCCN(C(C)(C)CNC(=O)NCCc2ccc(-n3cccn3)cc2)C1 517702559 FYWXMBDKMCNZQY-IBGZPJMESA-N 397.567 3.615 0 40 GHAB COc1cccc2sc(NC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)nc12 32808759 XOQCLXKYWMZRLA-UHFFFAOYSA-N 383.408 3.585 0 40 GHAB O=C(c1ccc2ncsc2c1)N1CCC(c2nnc(-c3ccco3)o2)CC1 38518287 FPKYLDIDAICHSF-UHFFFAOYSA-N 380.429 3.959 0 40 GHAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)n1 72354086 LPVSTJGCMCLMJP-LJQANCHMSA-N 392.478 3.873 0 40 GHAB C[C@H]1CCC[C@H](C)C12NC(=O)N(CN(Cc1ccc(F)cc1F)C1CC1)C2=O 48340528 PRWYNPLCPDIRNL-KBPBESRZSA-N 391.462 3.633 0 40 GHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)COc1ccccc1 224052429 AWICCWSTQXLUBX-INIZCTEOSA-N 386.467 3.537 0 40 GHAB COc1ccccc1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 48344193 PRNZWXZZJVSYNA-UHFFFAOYSA-N 392.253 3.608 0 40 GHAB COc1ccc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 223124609 SITBOJMORHIQJU-GOSISDBHSA-N 396.531 3.612 0 40 GHAB CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224806657 ZDVXHGHMARGOAH-UHFFFAOYSA-N 385.869 3.581 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)NCC1(c2ccccc2)CCOCC1 223958794 AOBBPBZKJORLMH-IBGZPJMESA-N 383.488 3.717 0 40 GHAB CCOc1ccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)cc1 40478728 XEPXLNUQLMWGIP-UHFFFAOYSA-N 382.460 3.747 0 40 GHAB Cc1ccc(OCCNC(=O)COc2ccc(Br)c(C)c2)c(C)c1 224242382 TXDGEARLBFIVRI-UHFFFAOYSA-N 392.293 3.948 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NCCSCc1ccccc1F 223503680 NEKRHLJCMUOPIM-UHFFFAOYSA-N 389.901 3.699 0 40 GHAB Cc1ccc(C)c(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 222759047 ZMDBBPWJMWKIFR-UHFFFAOYSA-N 396.512 3.539 0 40 GHAB CCCCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224433578 CNPLBARWDSCAQO-UHFFFAOYSA-N 394.924 3.691 0 40 GHAB O=C1[C@@H]2C[C@@H](CN2Cc2ccccc2)Oc2ccccc2N1Cc1cccnc1 96111823 RLZLGNYOLLIXRX-UNMCSNQZSA-N 385.467 3.650 0 40 GHAB biogenic,in-vitro Fc1ccc(CN2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)cc1 96037102 XUUUTZSTFUAKSU-UHFFFAOYSA-N 376.479 3.784 0 40 GHAB Cc1cc(-c2nnc3sc(-c4cc(C(F)(F)F)ccc4F)nn23)n(C)n1 95475722 VERWXKSLWFYSJZ-UHFFFAOYSA-N 382.346 3.720 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@H](C)Cn3ccnc3C)[C@@H]3CCCC[C@H]32)cc1 257330704 XPONAEOUUQYWOU-IZJVMPCUSA-N 381.520 3.925 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)cn1 257240857 HVMCSBCWHARIFG-GOSISDBHSA-N 381.407 3.785 0 40 GHAB Cc1cc(-c2ccccc2C(=O)O)nc(CC2CCN(C(=O)C(C)(C)C)CC2)n1 257210729 BVWVPRIZODMIAX-UHFFFAOYSA-N 395.503 3.977 0 40 GHAB COc1ccc(-c2c(CCCC(=O)O)oc3cc4c(cc3c2=O)OCCO4)cc1 585152414 ANRSGWGHWHYHAN-UHFFFAOYSA-N 396.395 3.647 0 40 GHAB COc1cccc(C[C@@H]2CCCN2C(=O)c2cc(C(F)(F)F)cnc2O)c1 635392923 AZGUCKWDIQWQPZ-AWEZNQCLSA-N 380.366 3.662 0 40 GHAB Cc1csc(SCC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 90608089 XTBJNCFXJRYNJF-UHFFFAOYSA-N 376.503 3.825 0 40 GHAB Cc1ccc(-c2nc(C(=O)N3CCC[C@H](c4ccnc(N)n4)C3)cs2)cc1 671825887 VSPVGAPRBUNAMF-HNNXBMFYSA-N 379.489 3.511 0 40 GHAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@H]1COc2c(Cl)cccc21 675093374 JLCILHXLXVKIIL-INIZCTEOSA-N 386.814 3.598 0 40 GHAB COc1cccc(NC(=O)Nc2ccc(N3CCC[C@@H](OC)C3)cc2)c1OC 96122515 DNGDLZKFAAQFMN-QGZVFWFLSA-N 385.464 3.963 0 40 GHAB O=C(N[C@@H](CO)c1ccc(O)cc1)OCC1c2ccccc2-c2ccccc21 396175254 NNHNIKBWIBSCDZ-QFIPXVFZSA-N 375.424 3.964 0 40 GHAB CNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)C2CC2)CC1 585166504 UGZAFTAIQUBRFA-UHFFFAOYSA-N 390.527 3.969 0 40 GHAB C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)c3ccc(C(F)F)nc3)CC2)n1 585090838 QJDRJWGBZHLFQI-BXUZGUMPSA-N 376.407 3.621 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1Cl 47318127 BELHSQSNDYWFKS-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB CC(C)[S@](=O)c1ccc(C(=O)Nc2ncccc2OCc2ccncc2)cc1 95962372 SKDFPEUKULOBNC-MUUNZHRXSA-N 395.484 3.824 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)N1CCC(c2ccc3cccnc3n2)CC1 655641549 GSUHQIFAYFCCQS-UHFFFAOYSA-N 397.500 3.515 0 40 GHAB N[C@@H](C(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1)[C@@H]1CCCO1 1616035225 SVEQCDTXAMVWKR-FUHWJXTLSA-N 395.286 3.908 0 40 GHAB COc1ccccc1-c1nnc(SC[C@@H]2CCOCO2)n1-c1ccccc1 5736452 MFDONDXMMAFZHM-INIZCTEOSA-N 383.473 3.798 0 40 GHAB CC(C)(C(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2)c1ccc(Cl)cc1 12145769 IRRRRMSALIQVKI-UHFFFAOYSA-N 398.890 3.759 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C[C@@H]4CCOC4)C3)cc2n1 12220432 ILWKHFNFALMWTL-UONOGXRCSA-N 382.430 3.697 0 40 GHAB Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(F)cc3)CC1)O2 12293746 OKEGUWIUESQILP-RTWAWAEBSA-N 385.479 3.827 0 40 GHAB Cc1cc(CN2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)cc(C)c1O 12759944 UPISSGSHWSJJOI-UHFFFAOYSA-N 390.487 3.946 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1 12949360 AUWZYQVSFUFMMJ-GOSISDBHSA-N 378.563 3.808 0 40 GHAB CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(Cl)c(Cl)c1 13567435 HUTHVNOKUHVRMR-SECBINFHSA-N 384.288 3.673 0 40 GHAB CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3cccc(OC)c3)CC2)cc1 35292222 TVRMDRWIICWWBZ-UHFFFAOYSA-N 397.475 3.520 0 40 GHAB CN(C)CCn1nc([C@H]2CCN(C(=O)CCC3CCCCC3)C2)c2cccnc21 19583167 IOGXASTWGSUACY-IBGZPJMESA-N 397.567 3.669 0 40 GHAB CC1=C(C(=O)OC(C)(C)C)C(c2ccncc2)C(C(=O)OC(C)(C)C)=C(C)N1 19594056 OGJHIVCQFVOZKE-UHFFFAOYSA-N 386.492 4.000 0 40 GHAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(Cc3cn(C)nc3C)CC2)C1 19712777 JOROXVZQAJXMMX-VXKWHMMOSA-N 382.552 3.593 0 40 GHAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)N2CCC(C)CC2)C1=O 6308106 LXCHEVIPVFFBNQ-CMQZKQKJSA-N 384.501 3.928 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCCO4)o2)cc1 5861829 MVCWRCXABCPUOG-UHFFFAOYSA-N 397.456 3.937 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 24643729 QGYMKXREPYXRAL-CJNGLKHVSA-N 399.878 3.693 0 40 GHAB CCOc1ccc2ccccc2c1[C@@H]1NC(=S)NC(C)=C1C(=O)OC(C)C 1467302 LXUYQOSJQARBPW-LJQANCHMSA-N 384.501 3.983 0 40 GHAB O=C(NCCN(CCc1ccccc1)C(=O)c1cccs1)c1cccs1 4783971 DDUOVINKANZURZ-UHFFFAOYSA-N 384.526 3.925 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)c(OC)c1 5099481 HGXASFANLKQRJM-UHFFFAOYSA-N 382.460 3.891 0 40 GHAB COc1ccccc1C(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 5181250 ZKGHKANPNBTVHF-UHFFFAOYSA-N 387.892 3.921 0 40 GHAB Sc1nnc(-c2ccc(Br)cc2)n1-c1ccc2c(c1)OCCO2 5903927 WVCKCCUIIGPPNB-UHFFFAOYSA-N 390.262 3.757 0 40 GHAB Cc1ccc(Nc2nc(Nc3ccccc3F)nc(N3CCOCC3)n2)cc1C 9708944 CQTXIUHUVOJMBL-UHFFFAOYSA-N 394.454 3.951 0 40 GHAB CCOc1ccc(CC(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)cc1 10335865 BDGWAQAFAVATMI-UHFFFAOYSA-N 391.471 3.588 0 40 GHAB CSc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1 11694884 YJVFSZXYNJBFPS-FSPWUOQZSA-N 379.489 3.658 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1 13696306 OLQNTMHVDCLSAB-UHFFFAOYSA-N 384.501 3.875 0 40 GHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2c(C)nc3ccc(Cl)cn3c2=O)c1 13707213 FSOHWPLSGMQUEG-AWEZNQCLSA-N 385.851 3.679 0 40 GHAB Cc1cc(OC2CN(C(=O)NC(c3ccccc3)c3ccccc3)C2)cc(=O)o1 585325955 ZMAAJFLSLGHYKW-UHFFFAOYSA-N 390.439 3.510 0 40 GHAB CC(C)C[C@H](NC(=O)c1cncc2cnccc12)C(=O)Nc1ccc(F)cc1 77869029 KISYOCKJXKDIRE-IBGZPJMESA-N 380.423 3.552 0 40 GHAB COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 908191 GHMFUOUNYSJTHZ-UHFFFAOYSA-N 382.489 3.932 0 40 GHAB O=C(NCCCc1ccccc1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 29572282 NLIGLWMVHPCARH-OAQYLSRUSA-N 388.467 3.596 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 1367989 XAQOMOZGLFIXRD-TXEJJXNPSA-N 391.562 3.745 0 40 GHAB COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N(C)C)cc1 32622170 LRAGAPDYGVXJPW-NRFANRHFSA-N 393.487 4.000 0 40 GHAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)c1ccc2[nH]c(=O)[nH]c2c1 7813626 LJZMMNZDQITETO-UHFFFAOYSA-N 387.770 3.898 0 40 GHAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 2625442 ROKFYRVZDHMGHF-SFHVURJKSA-N 379.243 3.839 0 40 GHAB C[C@@H](OC(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)N(C)Cc1ccccc1 8518730 YWNCSVYOILDBAZ-CQSZACIVSA-N 385.847 3.706 0 40 GHAB CCn1c(S)nc2cc(C(=O)Nc3ccc(OC)c(Cl)c3)ccc2c1=O 102335297 BDUDYPVIOUNHHB-UHFFFAOYSA-N 389.864 3.619 0 40 GHAB C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C(C)(C)C)cc1 10239732 XSHGTSIVVWHJMP-AWEZNQCLSA-N 383.444 3.939 0 40 GHAB CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1 10323892 XXPVYQTVTCETOI-UHFFFAOYSA-N 396.459 3.667 0 40 GHAB Cc1cc(C)nc(-n2nc3ncc4c(c3c2O)C[C@@H](c2ccccc2C)CC4=O)n1 102750121 FHFONMSCJFXWHB-OAHLLOKOSA-N 399.454 3.754 0 40 GHAB CC[C@@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(N)=O)C1 2767186 PBJLUPRUPLNBJK-LLVKDONJSA-N 396.468 3.721 0 40 GHAB CC(C)CNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 9062809 ASBNPRYDAYDRAN-UHFFFAOYSA-N 393.531 3.923 0 40 GHAB COc1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 9265299 JKXOPJSXJUHBBB-DEDYPNTBSA-N 391.402 3.718 0 40 GHAB CC(C)c1ccccc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O 22397728 LLJBCRURTAMAEP-HNNXBMFYSA-N 392.496 3.593 0 40 GHAB CC(=O)Nc1nc(COC(=O)c2csc(NCc3ccccc3)n2)cs1 22878830 ORKNVPROOUZGTO-UHFFFAOYSA-N 388.474 3.527 0 40 GHAB Cc1nc(-c2ccccc2)ccc1C(=O)NC1CCN(C(=O)c2ccoc2)CC1 22900729 VZVGCRZSDFANBN-UHFFFAOYSA-N 389.455 3.685 0 40 GHAB CC(C)n1ncc2cc(C(=O)Nc3c4c(nn3-c3ccccc3)CCC4)cnc21 54277813 WNLMNEVXTSBDOW-UHFFFAOYSA-N 386.459 3.939 0 40 GHAB CN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2cccc(Cl)c2)=N1 57401753 MFJFLWVFCAPMOV-UHFFFAOYSA-N 388.880 3.706 0 40 GHAB COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(F)cc1F 24428238 NEBLBLGKJHOGCF-UHFFFAOYSA-N 396.198 3.859 0 40 GHAB Cc1nccn1Cc1cccc(CNS(=O)(=O)c2ccc3ccccc3c2)c1 24687697 DNGQDBIAURKWQU-UHFFFAOYSA-N 391.496 3.872 0 40 GHAB CCc1sc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)cc1C 24760733 NFQRJDUPEGCYRC-UHFFFAOYSA-N 396.534 3.607 0 40 GHAB C[C@H](OC(=O)C1(c2ccccc2)CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 25054192 MADWDLUGDPXSKR-INIZCTEOSA-N 395.455 3.840 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)Oc3ccc(Br)cc3)CC2=O)cc1 1461465 DJGSFAOGJIWGOE-CQSZACIVSA-N 388.261 3.970 0 40 GHAB Cn1c([C@H]2CCCCN2C(=O)c2ccc([S@](C)=O)cc2)nc2ccccc21 56132443 PCEFBOKTIBBPIX-XHCCPWGMSA-N 381.501 3.678 0 40 GHAB CCS(=O)(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1 56198851 MOJFVGHDMWOGEZ-OAHLLOKOSA-N 375.494 3.504 0 40 GHAB CC(C)(C)NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 57425505 YXKGNBKVVUFSNN-UHFFFAOYSA-N 387.530 3.513 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(Cl)c2cccnc12 8196684 RQFRUVCKRSOPMC-UHFFFAOYSA-N 399.834 3.873 0 40 GHAB O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1cc(Cl)cc(Cl)c1 3235560 GUSSZDBVVSVAQJ-UHFFFAOYSA-N 392.194 3.895 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CSc3cc(F)ccc3F)CC2)cc1 8170493 VPUXJBASZXPSEH-UHFFFAOYSA-N 390.455 3.608 0 40 GHAB Fc1cc(Br)ccc1-c1nn2c(-c3ccncc3)nnc2s1 44900758 VIXAMTHILNUKEC-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc(=O)c2c1 28293009 FCJDGCZDYBEGIP-FQEVSTJZSA-N 390.483 3.922 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(-c2ccc(C)cc2)no1 36390726 REZUYQKRLPNDCP-UHFFFAOYSA-N 396.399 3.706 0 40 GHAB O=C(NCc1cccs1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 3366737 NDHXTQRIQGPBPB-FQEVSTJZSA-N 376.481 3.632 0 40 GHAB Cn1nc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)c2ccccc2c1=O 12751483 DESOMPSIXMUEIH-UHFFFAOYSA-N 397.478 3.670 0 40 GHAB COc1cc(NC(=O)C2CCCC2)c(C(=O)OCC(=O)C(C)(C)C)cc1OC 12892583 LRWBQMJSKWYHFL-UHFFFAOYSA-N 391.464 3.605 0 40 GHAB Cc1ccc(OC[C@H](O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 12866065 GXVKVZWONIUETE-QGZVFWFLSA-N 392.480 3.873 0 40 GHAB CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)CC1 69131606 WQJNOLLLBXICKQ-UHFFFAOYSA-N 380.879 3.580 0 40 GHAB Cc1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 3425639 WDJHZIKURPHYGN-UHFFFAOYSA-N 387.501 3.917 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccncc1 13207185 NTENQGFOIPJQMD-HXUWFJFHSA-N 384.391 3.639 0 40 GHAB CC1=C2C[C@@H]3[C@@H](CN4CCN(c5ccccn5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4073781 IDCQAOPXKSDGDT-ISQLDUATSA-N 395.547 3.662 0 40 GHAB biogenic C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2ccc(F)cc2s1 8316286 KTGLVKLLTLELCQ-VIFPVBQESA-N 377.828 3.846 0 40 GHAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(Cc1ccco1)C1=CCCCC1)C2=O 6087399 CHRILGNGKDRISR-AOMKIAJQSA-N 399.491 3.567 0 40 GHAB O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCOc2ccccc21 65106869 UFANHHSKRIQQDB-UHFFFAOYSA-N 384.233 3.878 0 40 GHAB CCCCN(C)C(=O)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 5322179 NPZNMBLGTWNHBP-UHFFFAOYSA-N 388.471 3.570 0 40 GHAB CCN(CC(=O)NC(C)C)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 14196710 BMYXNCOPVGSXJJ-UHFFFAOYSA-N 394.471 3.999 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2C)cc1OC 4520266 CCIXWUWVDSYOKG-UHFFFAOYSA-N 387.436 3.613 0 40 GHAB CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1 4571274 GGASVRVMOZGIMT-JOCHJYFZSA-N 383.492 3.935 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3nnc(C)s3)[C@H]2c2cccs2)cc1 6553681 HFKRFJZMRHYYMF-YOEHRIQHSA-N 398.513 3.949 0 40 GHAB Cc1cc(C(=O)COc2ccc(C(C)C)cc2)c(C)n1[C@H]1CCS(=O)(=O)C1 14343313 PVBQDGXDDQPZRB-SFHVURJKSA-N 389.517 3.850 0 40 GHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(F)c(Cl)c1 6788556 UVTYGUHYANKYJV-UHFFFAOYSA-N 399.735 3.790 0 40 GHAB Cc1cc2nc(SCC(=O)NC3CCCCC3)n(CCC(C)C)c(=O)c2[nH]1 67237912 BVJCOAAOGOVCHQ-UHFFFAOYSA-N 390.553 3.620 0 40 GHAB CCCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C 67209010 GHKUPLHCKFMQIB-UHFFFAOYSA-N 387.530 3.764 0 40 GHAB C[C@@H]1CCCCN1CCCNC(=O)c1nccnc1-c1nc2ccccc2s1 8777407 PLMXEMSNJAKVNK-OAHLLOKOSA-N 395.532 3.748 0 40 GHAB COc1ccc([C@H](CNC(=O)CN2CCCCC2)c2c[nH]c3ccccc23)cc1 7339156 MZYQGHYUKCTTIR-NRFANRHFSA-N 391.515 3.911 0 40 GHAB O=C(c1ccccc1F)N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 8869879 IFBNYUYYWZMZRV-GOSISDBHSA-N 397.471 3.808 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 8987047 IUYFZTNFHZBPNJ-INIZCTEOSA-N 396.871 3.579 0 40 GHAB Cc1nc(-c2c[nH]c(C(=O)N3CCO[C@H](CCc4ccccc4)C3)c2)cs1 96014006 ZLZRXOGMPNRPMC-GOSISDBHSA-N 381.501 3.920 0 40 GHAB COc1cccc(NCc2nnc(SCc3ccc(Cl)cc3)n2N)c1 19897536 OYADLNOKABQYSH-UHFFFAOYSA-N 375.885 3.558 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1C(=O)CC2(CCCC2)C1=O 9513331 ZBZJESGUXTZKMI-INIZCTEOSA-N 376.456 4.000 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)/C=C/c1ccc2c(c1)OCCCO2 9501364 ZYVBUVXPJFORBF-PKNBQFBNSA-N 389.455 3.705 0 40 GHAB COC(=O)c1ccc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 84240813 CWTADIHIULTAPB-UHFFFAOYSA-N 398.459 3.793 0 40 GHAB Cn1nc(-c2ccccc2Cl)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1 72405094 RDOUTRHCFQGSHE-UHFFFAOYSA-N 398.869 3.842 0 40 GHAB Cc1ccc(-c2nc(NC(=O)c3cc(C)nc4c3c(=O)[nH]n4C)sc2C)cc1 95966824 XDKYUQVQSIZVJK-UHFFFAOYSA-N 393.472 3.563 0 40 GHAB CCOc1ccccc1-c1nc(SCC(=O)Nc2ccc(OC)cc2)n[nH]1 408527003 IXMRPMWHNINIIO-UHFFFAOYSA-N 384.461 3.610 0 40 GHAB Cc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 32499160 ZWEJYFRDHCLHJA-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30939511 BSXSUSHBJOQONP-GOSISDBHSA-N 397.494 3.816 0 40 GHAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 408554610 CRVWJJXMKVDHTD-UHFFFAOYSA-N 384.841 3.718 0 40 GHAB CC(C)(C)c1cc(C(=O)N2CCC[C@@H]([C@@H]3CC(=O)c4ccccc4O3)C2)[nH]n1 72396474 XESZOUXLLGEZCW-KUHUBIRLSA-N 381.476 3.593 0 40 GHAB COc1cc(CCC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)on1 79482704 YHPGKEWLMONORB-UHFFFAOYSA-N 387.339 3.763 0 40 GHAB CC(C)(C)N1C[C@H](NC(=O)C[C@H](c2ccc(Cl)cc2)n2cccc2)CC1=O 1565524827 PNBKQAHBZJRTNI-QZTJIDSGSA-N 387.911 3.637 0 40 GHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cc(C)ccc2OC)C(=O)N1 72333309 LYNIZJBBLRCIPZ-QVKFZJNVSA-N 382.416 3.560 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CSc2nc(C)c(C)n2CCOC)cc1 32894019 XDXZKFRWAZOTGR-OAHLLOKOSA-N 375.538 3.678 0 40 GHAB CC(C)n1cc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c2ccccc21 72336837 MPCPKRMLDIYVGV-UHFFFAOYSA-N 399.498 3.926 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 223265082 ZGOKUGMZLXUWDX-AWEZNQCLSA-N 394.924 3.546 0 40 GHAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C[C@@H]2CCCO2)N1C1CCCC1 225011412 LAQGTDPNPPUPNI-IOMROCGXSA-N 396.560 3.977 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C)cc3C)c(Cl)cc21 223361606 SIWOUDLGIMQXSA-UHFFFAOYSA-N 380.853 3.685 0 40 GHAB Cc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226013463 MIYJRHMFXQRMEP-UHFFFAOYSA-N 394.456 3.793 0 40 GHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 224052278 AGSORZJOXWQQGO-SFHVURJKSA-N 384.545 3.765 0 40 GHAB C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc2c(c1)CCC2 223217242 AKFKCKLSSPXLTL-GFCCVEGCSA-N 392.908 3.691 0 40 GHAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2o1 223326271 JJNRRGYTBOXEBN-UHFFFAOYSA-N 393.635 3.882 0 40 GHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 148373245 NHKANKZCKPTVQH-NSHDSACASA-N 375.881 3.650 0 40 GHAB O=C(O)C[C@@H]1CCN(CCCc2ccccc2)C[C@@H]1Cc1nc2cnccc2[nH]1 514290289 WIVHUJHVKUPSSU-OALUTQOASA-N 392.503 3.546 0 40 GHAB biogenic,in-vitro Nc1ncc(-c2ccc(F)cc2)c(C2CN(C(=O)CCc3ccc(F)cc3)C2)n1 257255205 KGNPMSLSEVXKTC-UHFFFAOYSA-N 394.425 3.563 0 40 GHAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2ccncc2Cl)CC1 253472172 JXSOIZWNRWJJTA-UHFFFAOYSA-N 385.773 3.832 0 40 GHAB CSc1ccc(C=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 254440048 CATGNHOKEJZIEX-UHFFFAOYSA-N 385.901 3.741 0 40 GHAB O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC(CCc2ccc(F)cc2F)CC1 654567455 LIYNBUAJCSIHES-QGZVFWFLSA-N 388.462 3.600 0 40 GHAB C[C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1nc(-c2ccccc2)no1 53048802 WUPMNPRJKQXLMH-CQSZACIVSA-N 393.472 3.717 0 40 GHAB CC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1OCC(=O)N(C)C 55598701 UOHJUYWIRIHADM-GOSISDBHSA-N 379.460 3.516 0 40 GHAB CN(C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 58106007 CUHLGWUXVRGATE-INIZCTEOSA-N 382.888 3.769 0 40 GHAB Cc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3ccccn3)CC2)s1 72340718 QWRHAPVVFLOFSD-JOCHJYFZSA-N 397.519 3.995 0 40 GHAB OC[C@@]1([C@H](NCc2coc(-c3ccccc3C(F)(F)F)n2)C2CC2)CCCO1 1170639983 UGWMNLKSFBGDOA-IEBWSBKVSA-N 396.409 3.770 0 40 GHAB CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nccs1 5284110 ZGVCTXNWGZWDET-OAHLLOKOSA-N 386.477 3.699 0 40 GHAB CC(C)(C)c1ccc([C@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 12292275 XLFUNISZKVMDKD-HXUWFJFHSA-N 397.515 3.730 0 40 GHAB Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 12293439 PXLLNBNSXKKVJZ-YADHBBJMSA-N 381.516 3.996 0 40 GHAB Cc1cccc(OCCCC(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)c1 12926890 KFZPFFIBCUOOLT-IBGZPJMESA-N 384.501 3.694 0 40 GHAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1 15610999 DIMIZXIDPUGFQR-UHFFFAOYSA-N 398.387 3.504 0 40 GHAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccnc2)C1)c1cccs1 19400750 BMSUIFSKDWZQQA-GHTZIAJQSA-N 392.528 3.921 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cccnc3)cc2N1 19520745 RZYLBSIOFHLTEJ-VNQPRFMTSA-N 393.413 3.953 0 40 GHAB Cc1nc(C)c(S(=O)(=O)N[C@H](CCN2CCCCC2)c2ccccc2)s1 19715987 UKLSMMQQKXZBRD-GOSISDBHSA-N 393.578 3.656 0 40 GHAB O=C(/C=C(\Cl)c1ccc2c(c1)OCO2)OC/C=C/c1ccc2c(c1)OCO2 1702996 NIZSOWOMFVJWID-FLZHQKKKSA-N 386.787 3.980 0 40 GHAB Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)[C@H]2CC=CCC2)cn1 12223160 SNYNVUIEBDGGCJ-KRWDZBQOSA-N 391.475 3.689 0 40 GHAB COc1ccc(Br)c(C(=O)Nc2ccc3c(c2)OCCCO3)c1 9052317 VDTLBXGTABEIJB-UHFFFAOYSA-N 378.222 3.871 0 40 GHAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1OC 16999199 OTKDUGJZCNABSE-AWEZNQCLSA-N 396.443 3.986 0 40 GHAB O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccc2c(c1)OCCO2 4107378 DMJHPDBHBQJAPD-UHFFFAOYSA-N 377.400 3.639 0 40 GHAB COc1ccccc1CCNC(=O)c1csc(NC(=O)Nc2ccccc2)n1 9317196 BTLITABGVJMGDK-UHFFFAOYSA-N 396.472 3.768 0 40 GHAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(C)nn32)cc1 10434285 MVHHOPAVLYOSIJ-FQEVSTJZSA-N 389.459 3.831 0 40 GHAB Cc1ccc(S(=O)(=O)Cc2nc(-c3ccc(Br)cc3)no2)cc1 23125815 ACYLJOBIRZGBEO-UHFFFAOYSA-N 393.262 3.781 0 40 GHAB O=C(NC[C@H](O)c1cccc(Cl)c1)c1c[nH]nc1-c1ccc(Cl)cc1 31989146 JJRYANFAGIUVBT-INIZCTEOSA-N 376.243 3.847 0 40 GHAB COc1ccc(-c2nc(-c3nnn(Cc4ccc(F)cc4)c3C)no2)cc1OC 49410242 USGQUUVYLIUKQN-UHFFFAOYSA-N 395.394 3.508 0 40 GHAB CCCOc1ccc(CCC(=O)NCc2ccc(-c3cnn(C)c3)nc2)cc1 575616675 MXVASKAELOEZTD-UHFFFAOYSA-N 378.476 3.520 0 40 GHAB CCc1ccc(S(=O)(=O)NCc2ccc([C@H](O)c3ccco3)s2)s1 206685548 XHRGDAHECNBUHC-MRXNPFEDSA-N 383.516 3.525 0 40 GHAB O=C(Nc1cccs1)N1CCC(Oc2ncccc2Br)CC1 96096997 POEZWPUMNZHUGN-UHFFFAOYSA-N 382.283 3.981 0 40 GHAB O=c1c2ccsc2ncn1C[C@@H](O)Cn1c2ccccc2c2ccccc21 24591310 XDQIFGIBDSZTBA-CQSZACIVSA-N 375.453 3.627 0 40 GHAB Cc1cc(C)n2nc(CC(=O)N[C@H](c3ccccc3)C3CCCCC3)nc2n1 40134262 SAJODSLDNWWCJV-OAQYLSRUSA-N 377.492 3.721 0 40 GHAB COc1ccccc1-c1ccc(=O)n(Cc2ccc(Br)cc2F)n1 40287119 NTYOQVMNIYXYET-UHFFFAOYSA-N 389.224 3.869 0 40 GHAB O=C(c1ccc(Cn2cncn2)cc1)N1CCC(c2c[nH]c3ccccc23)CC1 11377018 DNDGDPDCPYLNBK-UHFFFAOYSA-N 385.471 3.828 0 40 GHAB O=C(O)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 2502575 HQWXHTVTKRGTHQ-FQEVSTJZSA-N 394.452 3.700 0 40 GHAB Cc1ccc(C(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2C)cc1 907066 DTSPKGFARMCTEI-UHFFFAOYSA-N 399.545 3.798 0 40 GHAB Cc1cc(Br)cc(C)c1NC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O 101967512 PBSDNHFROFWOEU-JQOWZUPLSA-N 390.277 3.773 0 40 GHAB CC(=O)Nc1c(C)cccc1C(=O)O[C@H](C(=O)N1CCCCC1)c1ccccc1 11944762 ZWIWRIVAPJAQIC-NRFANRHFSA-N 394.471 3.864 0 40 GHAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cnn2cccnc12 32754639 MPJHARNRCDXWBH-UHFFFAOYSA-N 397.232 3.682 0 40 GHAB FC(F)Oc1ccc(-n2nnnc2CN2CCC[C@H]2C2CCCCC2)cc1 60478711 GFJXDZIEOAWQPN-KRWDZBQOSA-N 377.439 3.808 0 40 GHAB COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)ccc1O 106783098 XXKRKFMCFYIOBR-PDGQHHTCSA-N 385.441 3.825 0 40 GHAB Cc1ccc(N(CCCC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 8041617 VUBMLVSWDIPAQQ-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB Cc1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1 8330620 WRZVMCIFZNSYCC-UHFFFAOYSA-N 375.472 3.751 0 40 GHAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Cl)cc1 8433651 JZHBVGWQUWZZFB-UHFFFAOYSA-N 389.835 3.948 0 40 GHAB CN(C)c1ccc(N(C)C(=O)c2cnn(-c3cccc(Br)c3)c2)cc1 106651885 DACVVHGKOUZRCE-UHFFFAOYSA-N 399.292 3.977 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCN(Cc2cccs2)CC1 32900414 MJNRTJUUXSOTRD-UHFFFAOYSA-N 381.501 3.598 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cnn(-c3ccccn3)c2C(C)C)c1 32914242 OZWMTPBVRHDXKI-OAHLLOKOSA-N 394.475 3.899 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 2726307 FHCCGWLAQRBSST-UHFFFAOYSA-N 388.456 3.916 0 40 GHAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(I)cc1 682696 AKFZDXGITQBGBU-RIYZIHGNSA-N 393.155 3.775 0 40 GHAB O=C(NCc1ccccc1F)c1ccc(Cn2cc(Br)cn2)cc1 676037 LHPBQDVLZPORKJ-UHFFFAOYSA-N 388.240 3.763 0 40 GHAB Cc1ccc(CSc2nnc(NC(=O)[C@@H]3COc4ccccc4O3)s2)cc1 702356 JUBTUCHFILCWNY-INIZCTEOSA-N 399.497 3.917 0 40 GHAB aggregator C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCC1(c2ccccc2)CC1 22878626 MBLXBKFOKZANGF-QGZVFWFLSA-N 375.476 3.702 0 40 GHAB Cc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(N)(=O)=O 873256 MZIABAQLPQXTPW-UHFFFAOYSA-N 390.468 3.996 0 40 GHAB COc1ccc2c(CN3CCN(c4cccc(Cl)c4)CC3)cc(=O)oc2c1 54106039 JVOKCGHVQSXQFY-UHFFFAOYSA-N 384.863 3.777 0 40 GHAB biogenic COc1cccc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)c1 992963 VMYDYWQLZQHEBK-UHFFFAOYSA-N 380.352 3.547 0 40 GHAB COc1cccc(CN2CCc3c(nc4cc(-c5ccoc5C)nn4c3O)C2)c1 100182193 VQCMYFMYCQBBBG-UHFFFAOYSA-N 390.443 3.570 0 40 GHAB CCCNC(=O)C1CCN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 42686812 MNVILWPTQQZJRP-OAQYLSRUSA-N 379.504 3.605 0 40 GHAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Nc2ccc3c(c2)OCCCO3)c(C)c1 12545040 WPIAWPWTVFOOHU-OAHLLOKOSA-N 383.448 3.613 0 40 GHAB CC(C)OC(=O)COC(=O)c1cn(-c2cccc(Cl)c2)c(=O)c2ccccc12 44168176 WVYUSAFWLXASDV-UHFFFAOYSA-N 399.830 3.753 0 40 GHAB COc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 57416584 HPISESPLBUSHGQ-JSGCOSHPSA-N 390.842 3.718 0 40 GHAB Cc1ccccc1-n1nnnc1SCC(=O)c1ccc(Br)s1 3294262 QWBATKXCKCKBDP-UHFFFAOYSA-N 395.307 3.770 0 40 GHAB CCc1ccc(Nc2nnc(SCc3ccc(OC)cc3)n(C)c2=O)cc1 28538571 XTTURAOICANLSB-UHFFFAOYSA-N 382.489 3.782 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1NS(C)(=O)=O 29108035 CTOQLSIRUGPWJQ-UHFFFAOYSA-N 388.367 3.517 0 40 GHAB CC1(C)CC(O)CC(C)(C)N1C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 27666049 WVHQPKDRIRFTHH-ZTLYHTANSA-N 379.585 3.594 0 40 GHAB COc1ccc([C@@H](CNC(=S)Nc2cccc(OC)c2)N2CCCC2)cc1 3339366 QTKGWSKBNPBYIJ-HXUWFJFHSA-N 385.533 3.827 0 40 GHAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1c1ncnc2ccccc12 11246757 NSKJTMTZFSPMMI-KRWDZBQOSA-N 397.276 4.000 0 40 GHAB CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 48367200 CCMCJXPWPSMXTP-KRWDZBQOSA-N 399.516 3.976 0 40 GHAB O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cc(Cl)ccc1F 12913861 OOIABWTYYLXMCQ-CQSZACIVSA-N 389.858 3.768 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccc(-c2ccccc2)o1 12921882 SJZMZVKAKNWKQJ-UHFFFAOYSA-N 387.439 3.774 0 40 GHAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)C1CCN(C(=O)C2CC2)CC1 39980556 DJCLJGXKOVJQOI-UHFFFAOYSA-N 388.471 3.588 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 14049704 DEYOMMQLWMIBRN-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c1 6419040 ZXQMMRNLNFKULS-INIZCTEOSA-N 382.485 3.762 0 40 GHAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H](Cc1ccccc1)n1cnnn1 14128534 CGCTWMXVOWHXAQ-NRFANRHFSA-N 385.427 3.888 0 40 GHAB Cc1ccc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1 14251543 LJHMOXNZJUDUFS-UHFFFAOYSA-N 379.323 3.777 0 40 GHAB O=C1NC2(CCCC2)C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccccc1 5473266 UKKZAEXEWSDGGB-UHFFFAOYSA-N 386.455 3.904 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2cccc3ccccc23)c1 4666502 UPWJZAWPTARMKJ-UHFFFAOYSA-N 377.396 3.594 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(F)cc1 4736227 NWRXSDISWRFIDO-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H]1c1nc2ccccc2s1 6880807 WLROKDJXOMAVNX-KRWDZBQOSA-N 375.457 3.854 0 40 GHAB O=C(COc1ccc(Br)cc1)OCC(=O)c1c[nH]c2ccccc12 6832697 RQUIEBUNQOKMQI-UHFFFAOYSA-N 388.217 3.735 0 40 GHAB O=C(O)CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 408613566 YDEDFQSWZXMGNV-IBGZPJMESA-N 386.879 3.704 0 40 GHAB COc1ccc(O)c(C(=O)c2cnn(-c3nc(-c4ccccc4)cs3)c2)c1 15232255 YOFBSVJRJSPOHW-UHFFFAOYSA-N 377.425 3.941 0 40 GHAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3c(C)cccc3C)c2C)c1 67323589 IOTPAGHIMUPZGF-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(Cl)cc3)c2C)c(C)c1 67322415 WWHQTNYJWJNFSF-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB CCN(Cc1ccccc1NC(=O)c1ccn(-c2cccc(F)c2)n1)C(C)=O 67547922 VWLZZVJVXGQGBK-UHFFFAOYSA-N 380.423 3.632 0 40 GHAB Cc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c(C)c1 15680554 XUFMNGIEPMKIOB-UHFFFAOYSA-N 378.451 3.795 0 40 GHAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc2c1C 7735712 VEZFNXUAZBNJSY-AWEZNQCLSA-N 394.427 3.740 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 7779064 IHKPMEAKKPPXQY-QAPCUYQASA-N 375.428 3.677 0 40 GHAB Cc1ccc(-c2noc(CCC(=O)N[C@@H](C#N)c3ccc(F)cc3F)n2)cc1 68416532 ZTVWQRASKBNTSI-KRWDZBQOSA-N 382.370 3.637 0 40 GHAB CC(Nc1cc(Cl)ccc1Sc1ccccc1)=C1C(=O)NC(=O)NC1=O 7977339 LXXGBUAJPCTFHF-UHFFFAOYSA-N 387.848 3.543 0 40 GHAB COc1ccc([C@H]2CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c32)cc1O 96118111 GETQXOWDMNIYAX-OAHLLOKOSA-N 386.411 3.609 0 40 GHAB Cc1ccc(C(=O)NCc2nc3ccccc3n2C)cc1NC(=O)c1ccco1 9376395 KDRDXMALZIQYHL-UHFFFAOYSA-N 388.427 3.657 0 40 GHAB CCc1nnc(NC(=O)c2ccccc2NC(=O)CCc2ccccc2)s1 9668458 FJSHPPSWFNGHHX-UHFFFAOYSA-N 380.473 3.924 0 40 GHAB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C(C)C)cc3n2)cc1 408628184 QJSBZMXTMSHVKV-UHFFFAOYSA-N 381.505 3.760 0 40 GHAB C[C@@H](CCc1ccc(O)cc1)NC(=O)NC1(c2noc(C3CC3)n2)CCCC1 95406625 MVDDRZZGLGQCDM-AWEZNQCLSA-N 384.480 3.742 0 40 GHAB C[C@H](N[C@H]1CCSc2ccc(F)cc21)c1ccc(S(=O)(=O)N(C)C)cc1 95955781 MZWFGDLAHLBVBG-UGSOOPFHSA-N 394.537 3.964 0 40 GHAB C[C@H](Oc1ccc(F)cc1Br)C(=O)NC[C@H](C)c1ccncc1 79018587 MDUYDQRFCXSXDA-RYUDHWBXSA-N 381.245 3.670 0 40 GHAB Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 113940385 SRRVESQYJCWNIR-GJZGRUSLSA-N 394.924 3.680 0 40 GHAB CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 408708436 QCCSWFUZQKFKGN-MRXNPFEDSA-N 386.879 3.716 0 40 GHAB Cc1cc(C(=O)N2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c(C)o1 306125896 DFCFPHMZNNZSJM-GOSISDBHSA-N 387.443 3.631 0 40 GHAB CN(Cc1ccccc1F)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 39484738 DZXUGMOWOHEKBJ-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB CCn1c(COc2ccccc2F)nnc1SCc1ccc(C(=O)OC)o1 408553911 RLBFJRJMOLFWJW-UHFFFAOYSA-N 391.424 3.688 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N3)cc1 31814294 QERKVOPKASMNHA-MRXNPFEDSA-N 395.850 3.737 0 40 GHAB O=C1CSC(=O)N1Cc1cccc(C(=O)N2CCC[C@@H]2c2ccsc2)c1 46911483 PVYZVKFAEACXAH-MRXNPFEDSA-N 386.498 3.921 0 40 GHAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 223305265 FDTACBYSGZQZDF-INIZCTEOSA-N 398.528 3.642 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1F 222947039 ZXZRKDNAHMWLLL-OAQYLSRUSA-N 384.495 3.743 0 40 GHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCc1ccc(OC)c(OC)c1 44847419 RXNCQXVNAGZORR-MRXNPFEDSA-N 377.868 3.874 0 40 GHAB C[C@H](C(=O)N1CCc2ccccc21)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105924 CHFHJYVJDQNYHY-GFCCVEGCSA-N 398.311 3.886 0 40 GHAB CSc1ccc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44874344 HUUFRIXYTJKIHU-UHFFFAOYSA-N 390.574 3.873 0 40 GHAB O=C(Nc1ccc(F)cc1)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 43069901 SYOOESHCSMBQIC-JJTKIYQPSA-N 388.464 3.827 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc21 225724940 OSRNDRYAYTUJHX-UHFFFAOYSA-N 384.429 3.552 0 40 GHAB CC(C)NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224064171 FLAUULWSANDKDJ-UHFFFAOYSA-N 387.288 3.932 0 40 GHAB CCS(=O)(=O)N(C)c1cccc(C(=O)NCc2cccc3ccccc23)c1 225965429 XQWRLOQGBDUONJ-UHFFFAOYSA-N 382.485 3.556 0 40 GHAB O=C(COc1cccc2c1CCCC2)NCc1nc(-c2ccc(Cl)cc2)no1 223506629 PFUZGWVUVLBQBJ-UHFFFAOYSA-N 397.862 3.964 0 40 GHAB Cc1ncsc1CN1CCC2(CC1)OCC[C@H]2CCOCc1ccncc1 248067002 XIKRTKUQVMPESL-LJQANCHMSA-N 387.549 3.825 0 40 GHAB CCNc1nc(C)c(C(=O)N2C[C@H]3[C@@H](Oc4cccc(F)c4)CC[C@H]3C2)s1 257296141 RBKNUMDHSZRQEE-XKQJLSEDSA-N 389.496 3.952 0 40 GHAB CN1C(=O)N[C@@](C)(c2ccc(NCc3csc(C(F)(F)F)c3)cc2)C1=O 623560848 UUEFHFKHGPRQEK-INIZCTEOSA-N 383.395 3.776 0 40 GHAB CN1CCC(n2cc(NC(=O)Nc3ccnc(Oc4ccccc4)c3)cn2)CC1 639697019 UOUZWLIKGGIIFB-UHFFFAOYSA-N 392.463 3.981 0 40 GHAB CC1(c2cc(NC(=O)N[C@@H]3CCO[C@H]3c3ccnn3CC3CC3)no2)CCCC1 666932148 JNQUJDAXGLSHLK-DNVCBOLYSA-N 399.495 3.765 0 40 GHAB O=C([C@H]1CCCO1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Br)cc1 96096342 IZRUFBCZENTZGV-NVXWUHKLSA-N 389.249 3.899 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)NCc3ccc(-c4ccoc4)nc3)CC2=O)cc1C 390830572 LXIJMJSQTDCAEA-LJQANCHMSA-N 389.455 3.628 0 40 GHAB COc1ccc(F)c(CN2CCC(c3cc(O)nc(-c4ccccn4)n3)CC2)c1 72392864 PDWZNYHZNRRCQN-UHFFFAOYSA-N 394.450 3.772 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 5511913 AKJYAWZLBGTTBX-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB O=C(CNC(=O)c1cc2c(s1)CCCCC2)Nc1ccc(F)c(F)c1F 5273330 FCDPVICPRJDOTN-UHFFFAOYSA-N 382.407 3.803 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 5318434 KIBISORAHWALNE-UHFFFAOYSA-N 387.892 3.937 0 40 GHAB C[C@@]1(C(=O)NCc2nc(-c3ccccc3Cl)no2)CC(c2ccccc2)=NO1 12201277 ZZQWNELOSYNOCV-FQEVSTJZSA-N 396.834 3.590 0 40 GHAB O=C(C1CC1)N1CCCc2cc([C@@H](O)CN3CCC(C(F)(F)F)CC3)ccc21 12291528 MYJQQIFPXGYGRN-IBGZPJMESA-N 396.453 3.684 0 40 GHAB CC(C)(C)c1ccc([C@@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 12292272 XLFUNISZKVMDKD-FQEVSTJZSA-N 397.515 3.730 0 40 GHAB CCc1nc2ccccc2n1CC(=O)Nc1cnn(Cc2cccc(F)c2)c1 19662470 GIUSNDDJNDCAAR-UHFFFAOYSA-N 377.423 3.621 0 40 GHAB c1csc(-c2nc(N3CCC4(CC3)OCCO4)ncc2-c2ccsc2)n1 13268354 OZEXADBSQXKGSA-UHFFFAOYSA-N 386.502 3.672 0 40 GHAB O=C(Nc1ccccc1N1CCOCC1)c1cc(C2CC2)nn1-c1ccccc1 6605787 LBPONGBGVSRUDB-UHFFFAOYSA-N 388.471 3.839 0 40 GHAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCN(c2cccc(Cl)c2)CC1 29490339 YXEZTKQQZYEFEO-GOSISDBHSA-N 377.271 3.646 0 40 GHAB NC(=O)CC1(COc2ccccc2)CCN(C(=O)c2cccc(Cl)c2)CC1 2037905347 KRIGUCVSIMKDMI-UHFFFAOYSA-N 386.879 3.517 0 40 GHAB CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2F)cc1 3024702 BIDKFRBCVSCIEV-UHFFFAOYSA-N 390.480 3.815 0 40 GHAB CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC)c3ccccc23)cc1 10253158 IZZLMGQXPYPCNP-UHFFFAOYSA-N 383.469 3.823 0 40 GHAB COc1ccc(CCNC(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1 22504235 BOUIJZAJRUIQNX-UHFFFAOYSA-N 393.487 3.749 0 40 GHAB O=C(C1CCCCC1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 22998525 IWVIMHFYXYSNBG-UHFFFAOYSA-N 391.512 3.681 0 40 GHAB O=C(NCc1ccc(-c2ccoc2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 575609786 HBRDIVGAKMJVAS-UHFFFAOYSA-N 394.305 3.693 0 40 GHAB COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)ns2)cc1 4167278 PQZOVBKRTNTTTE-UHFFFAOYSA-N 385.470 3.723 0 40 GHAB CCOc1cc(C(=O)Nc2nc(SC)ns2)cc(OCC)c1OCC 20175663 SZNNAQDIUNNGBD-UHFFFAOYSA-N 383.495 3.708 0 40 GHAB COc1ccccc1OC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 100998774 MIAXQIOJAYVPSR-IAGOWNOFSA-N 379.412 3.594 0 40 GHAB COC[C@@H](C)NC(=O)COc1ncnc2scc(-c3ccc(Cl)cc3)c12 2643856 BJPDUHMNDCVRPS-LLVKDONJSA-N 391.880 3.542 0 40 GHAB C[C@@H](NC(=S)NC(=O)c1ccccc1Br)[C@@H]1C[C@H]2CC[C@H]1C2 102193919 XZKFLFIUMSFQCP-UHXUPSOCSA-N 381.339 3.878 0 40 GHAB CC1CCN(Cc2ccc(CNS(=O)(=O)c3ccccc3F)cc2)CC1 32771342 RWGLQIXXTKLKOK-UHFFFAOYSA-N 376.497 3.536 0 40 GHAB CCOc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1OCC 6964149 SDYQHHMVWGXKEI-LDADJPATSA-N 380.444 3.885 0 40 GHAB Cc1nnc(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)s1 7193093 RPVDFFWZNMMZOL-ZDUSSCGKSA-N 381.910 3.814 0 40 GHAB COc1ccc2cc(CN(C)C(=O)COC(=O)c3ccc(C)cc3)ccc2c1 7895777 IQNFLFGTTNCPLB-UHFFFAOYSA-N 377.440 3.972 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 10039313 HLKIRGLPMMXZJW-LLVKDONJSA-N 387.288 3.607 0 40 GHAB C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 32823849 ICYXRMKQRIZDEA-GFCCVEGCSA-N 389.525 3.776 0 40 GHAB O=C(Nc1ccc(F)c(N2CCCC2=O)c1)c1cc(-c2cccc(F)c2)no1 46816210 DFWWIYMLHCQBJF-UHFFFAOYSA-N 383.354 3.999 0 40 GHAB COCC(=O)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 41576849 MNWYWKRMPYIICQ-UHFFFAOYSA-N 379.185 3.981 0 40 GHAB CCC[C@@H]1CCCN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CC1 61297585 LDFKDGBOSHEUBN-GFCCVEGCSA-N 378.822 3.949 0 40 GHAB O=C1C[C@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)c(F)c1 104346261 CKQFIJSMXFQITR-FQEVSTJZSA-N 384.426 3.551 0 40 GHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1csc(-c2ncccn2)n1 47197636 KXOHXRISINVMNJ-UHFFFAOYSA-N 378.379 3.591 0 40 GHAB CCCCn1c(SCC(=O)NCc2ccccc2)nc2ccsc2c1=O 2909264 YBOXDRZVDIDHJO-UHFFFAOYSA-N 387.530 3.667 0 40 GHAB CC(=O)Nc1cccc(-n2cnnc2S[C@H](C)c2nc(C(C)(C)C)no2)c1 12545060 PHXBCHDTPGGZGB-LLVKDONJSA-N 386.481 3.760 0 40 GHAB CCN1c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2-c2ccccc2S1(=O)=O 106359928 OOPLRQJNQNNOHU-YZVOILCLSA-N 396.512 3.801 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2[C@H]3NC(=O)N[C@@]2(C)Oc2ccc(Cl)cc23)c(C)c1 101353223 JANQVYAXHZMUNH-ZWOKBUDYSA-N 385.851 3.674 0 40 GHAB CCN(CC)C(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](c1ccccc1)C3 55491285 GACDLZYGCNNZLV-OAHLLOKOSA-N 395.528 3.668 0 40 GHAB COc1ccccc1N(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(C)=O 1508479 WHDPUZFDWPCCIV-UHFFFAOYSA-N 393.226 3.609 0 40 GHAB CC(C)CCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 26090897 JCQHYZMLKFTIJZ-UHFFFAOYSA-N 387.530 3.702 0 40 GHAB Cc1nn(C)cc1CNC(=O)c1ccc(COc2ccc(F)cc2Cl)o1 28238782 YEVHNPQBLQECNU-UHFFFAOYSA-N 377.803 3.623 0 40 GHAB COc1ccccc1CNC(=O)COC(=O)c1cc(SC)ccc1Cl 3219362 JAKFMAWOQLLNNM-UHFFFAOYSA-N 379.865 3.544 0 40 GHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1 3299811 DZGZSQFQORVIBF-ZDUSSCGKSA-N 399.497 3.535 0 40 GHAB COc1ccc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)cc1Cl 1961507 VRYCMHGPIHJNBY-UHFFFAOYSA-N 382.844 3.798 0 40 GHAB CCc1ccc(O[C@@H](CC)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 113969382 UESPFGOVMMLYJO-FQEVSTJZSA-N 393.487 3.843 0 40 GHAB NS(=O)(=O)c1ccc(OCCSc2cc(Cl)ccc2Cl)cc1 27324561 CYCAXUFDNPVMKR-UHFFFAOYSA-N 378.302 3.812 0 40 GHAB CC(C)C[C@@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccccc1 30755026 KTEXEFKIVLQLTQ-YLJYHZDGSA-N 388.533 3.745 0 40 GHAB O=C(Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1)N1CCOCC1 48160534 VMHCZFJUPAQXIM-LJQANCHMSA-N 399.516 3.518 0 40 GHAB Cc1ccnc2nc(C(=O)OCC(=O)c3ccc(C4CCCCC4)cc3)nn12 20851772 LIUSRQKBNUNUJL-UHFFFAOYSA-N 378.432 3.520 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCSc2ccccc2)c1C 3329187 DZNUGTAORJCSFT-UHFFFAOYSA-N 389.473 3.717 0 40 GHAB aggregator Cc1cc(C)cc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)c1 36395024 AZODCDISFCHFDQ-MRXNPFEDSA-N 390.281 3.804 0 40 GHAB Cc1ccccc1-c1nnn(CC(=O)Nc2ccccc2Cc2ccccc2)n1 3361745 OGWVRCMBYYWPQW-UHFFFAOYSA-N 383.455 3.878 0 40 GHAB CCOc1cc2c(cc1CNC(=O)CCc1nc3ccccc3[nH]1)O[C@@H](C)C2 28794144 HKHUWSBQZHRSFS-AWEZNQCLSA-N 379.460 3.534 0 40 GHAB Cc1cccn2c(=O)cc(CNc3ccccc3C(=O)NCc3ccccc3)nc12 12765788 ZHEBKAMPWBUYSC-UHFFFAOYSA-N 398.466 3.545 0 40 GHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2[nH]cnc2c1 18039832 ASBUHAHQUOLWDJ-UHFFFAOYSA-N 377.231 3.580 0 40 GHAB Cc1c(CC(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c(=O)oc2cc(O)ccc12 12896463 ZULVJHHMIHWHAK-ZDUSSCGKSA-N 390.439 3.578 0 40 GHAB biogenic O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 28993633 ASFINWBFEWFMOV-GOSISDBHSA-N 390.439 3.846 0 40 GHAB Cc1cc(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)[nH]c2c1 12910041 NTJRQNOMNFHMRF-CYBMUJFWSA-N 380.400 3.697 0 40 GHAB CC[C@@H](C)NC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 4090020 XCUQPMVNMGZFRC-CYBMUJFWSA-N 399.487 3.679 0 40 GHAB biogenic O=C(CNCCOc1ccccc1F)N[C@H](Cc1ccccc1)c1ccccc1 49590079 FGYFDZSSWUPUGI-JOCHJYFZSA-N 392.474 3.894 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 4385135 ZAVHAQJLABVTSC-NSHDSACASA-N 379.243 3.994 0 40 GHAB COc1ccc(-c2nc(C(=O)Nc3ccccc3C(=O)NC3CC3)cs2)cc1 19204800 YDFVFTMLQYIFRN-UHFFFAOYSA-N 393.468 3.963 0 40 GHAB O=C(OCc1cc(-c2ccccc2)on1)c1ccc(CN2CCCC2=O)cc1 19297564 SWTWRXYGHIQCDM-UHFFFAOYSA-N 376.412 3.821 0 40 GHAB CCc1ccc2nccc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2c1 65005473 DVEPLGSNCGNZPJ-UHFFFAOYSA-N 397.500 3.562 0 40 GHAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)oc2c1 6661077 WJZZRFLKFKLCNC-UHFFFAOYSA-N 396.468 3.701 0 40 GHAB Cc1ccc(-n2c(S)nnc2-c2cc(C3CC3)n[nH]2)cc1Br 5812846 KPOVHFRVHUDJID-UHFFFAOYSA-N 376.283 3.894 0 40 GHAB COc1ccc(-c2nnc(SCCOC(=O)c3ccccc3)o2)cc1OC 6943875 FZBMMQOTNJIISV-UHFFFAOYSA-N 386.429 3.703 0 40 GHAB Cc1ccc(CN2CCCN(Cc3c(F)cccc3Cl)S2(=O)=O)cc1 6945307 MRAJSAHEFAGTJX-UHFFFAOYSA-N 382.888 3.740 0 40 GHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc21 15867613 AYXKGLTZZAXNBH-OAHLLOKOSA-N 399.516 3.905 0 40 GHAB CC(=O)c1cccc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c1 68002845 XYCZSHRFRRZFLC-FQEVSTJZSA-N 377.444 3.518 0 40 GHAB CCNC(=O)c1cccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c1 7779415 SBMKXJJADHVOJV-UHFFFAOYSA-N 393.443 3.872 0 40 GHAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1cc(=O)c2ccccc2o1 7986704 QOUGFPCDSKSYDF-UHFFFAOYSA-N 386.407 3.657 0 40 GHAB COc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cc1N1CCCCC1=O 84287057 GLJOVLBSZLRQSZ-UHFFFAOYSA-N 392.459 3.660 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(OC(F)F)c3)C2)nc1 72308193 XPILXJAUTYRREV-MRXNPFEDSA-N 375.419 3.842 0 40 GHAB CCCCOc1cccc(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)c1 408629248 RUILFVOTQWOXNW-UHFFFAOYSA-N 395.503 3.786 0 40 GHAB Cc1cc(-c2nnc(NC(=O)COc3cccc4c3OC(C)(C)C4)o2)c(C)o1 56907215 UCOYCQJGPLFJOP-UHFFFAOYSA-N 383.404 3.677 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)s1 306124501 BRRNDSBYVFTYIH-MRXNPFEDSA-N 395.532 3.719 0 40 GHAB CC(C)Cn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1cccnc1 39748494 ABRRAZZHPDRMFF-GFCCVEGCSA-N 388.522 3.572 0 40 GHAB O=C(Nc1cccc2ccccc12)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408977156 VNNHZTHZTOEQGB-UHFFFAOYSA-N 394.390 3.683 0 40 GHAB CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)S(=O)(=O)N1CCC1 508804725 CSJSJNMLLRFBCR-UHFFFAOYSA-N 388.411 3.738 0 40 GHAB Cc1cccc(C(=O)N2CCN(c3c(Cl)ccc4sc(N)nc34)CC2)c1 72230125 TUNVBFOWQCODQW-UHFFFAOYSA-N 386.908 3.803 0 40 GHAB Cc1noc(C23CC(CN2C(=O)Nc2cnn(-c4ccccc4)c2C(C)C)C3)n1 529084289 YUTWQIGVYRIBPL-UHFFFAOYSA-N 392.463 3.840 0 40 GHAB COc1ccc(CCNC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219456303 QUUAVSGAMJFRCT-UHFFFAOYSA-N 388.467 3.948 0 40 GHAB O=C(Nc1cccc2ccccc12)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 62022737 MPCPXQJATLWMOG-SFHVURJKSA-N 398.470 3.671 0 40 GHAB Cc1cc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC(O)CC4)cc3)cc2c1 72396146 CLCCLQSHUHMDJU-UHFFFAOYSA-N 377.488 3.718 0 40 GHAB COc1cc(CNC(=O)c2ccc(F)cc2F)ccc1OCc1ccncc1 48354703 GBUXKMWISNUCOL-UHFFFAOYSA-N 384.382 3.877 0 40 GHAB C[C@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 195528892 MHJOGDJMUSFXMV-KIRIIANNSA-N 381.419 3.774 0 40 GHAB CC(C)c1cccc(OC[C@@H](O)CSc2nc3c4ccccc4ncn3n2)c1 48229494 DQJIGTPLAKGJKV-MRXNPFEDSA-N 394.500 3.933 0 40 GHAB COC(=O)[C@H]1CC(=O)N(c2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)C1 45887279 BHJMJVZPXVVHOD-ZDUSSCGKSA-N 384.819 3.983 0 40 GHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223063250 FOMGXIHYIZRJNX-SFHVURJKSA-N 396.531 3.960 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cccc(OC)c2)cc1 224729247 DJJBCMUNLYOKLN-ZHZULCJRSA-N 392.411 3.706 0 40 GHAB CCN1CCC[C@@H]1CNCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 96318721 DHNBZPCXCRPQPE-GOSISDBHSA-N 389.927 3.897 0 40 GHAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CN(Cc3cn(C)nc3C)CCO2)n1 257253396 JYTOHCQXBAIPGO-QHCPKHFHSA-N 394.494 3.735 0 40 GHAB CC(C)C[C@]1(O)CCN(C(=O)c2ccc(O)cc2)C[C@@H]1Oc1cccc(F)c1 257247631 IZVPPHXHFSAXKS-RBBKRZOGSA-N 387.451 3.602 0 40 GHAB Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1cc(=O)n(C)c2ccccc12 1626178996 PWOLHXWKYYGUCQ-QHCPKHFHSA-N 399.450 3.576 0 40 GHAB O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@@H]1CCc2cncn2C1 655408095 OOTCZCNLWRCMLJ-CQSZACIVSA-N 393.409 3.582 0 40 GHAB C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1-c1nn[nH]n1 1150179064 QYZDDBVABLEZCV-INIZCTEOSA-N 399.454 3.864 0 40 GHAB CCOc1ccc(C[C@H](C)c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)cc1 669410721 ULHIRULORLHOIB-AWEZNQCLSA-N 386.473 3.885 0 40 GHAB Cc1cn2c(CNC[C@H]3CCc4nc(C(F)(F)F)cn4C3)c(C)nc2s1 681916078 LOVXVLMYPOWSLT-GFCCVEGCSA-N 383.443 3.580 0 40 GHAB O=C(c1cccc(F)c1)N1CCC2(CC1)CN(C(=O)C1CC1)c1ccc(F)cc12 585104225 NMRVRRODYLGATM-UHFFFAOYSA-N 396.437 3.895 0 40 GHAB Cn1ccnc1COc1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1 43243665 BVMABVFTXMGWGQ-UHFFFAOYSA-N 380.429 3.968 0 40 GHAB Cc1cc(N2CCSCC2)ccc1NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 50494465 VCTXZJREGOQQTC-FOIQADDNSA-N 384.501 3.715 0 40 GHAB CCCc1nc(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)sc1CC 56003366 YCCMIBWADQLHAT-LLVKDONJSA-N 396.538 3.653 0 40 GHAB Cc1cccc(C)c1NC(=O)COc1ccc(I)cc1 5050513 MOEURMDRALASQI-UHFFFAOYSA-N 381.213 3.926 0 40 GHAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc(SC(F)F)cc1 12655045 RXEWJFNIJXDSMQ-UHFFFAOYSA-N 391.399 3.533 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CCC(=O)c2cc(C)ccc2C)c(C)c1 12814843 HLADTTJTSXJSEW-UHFFFAOYSA-N 380.488 3.947 0 40 GHAB Cc1ccc(C)c(SCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 12974328 MENYOYQJRBSJIQ-KRWDZBQOSA-N 390.574 3.647 0 40 GHAB Nc1nc2n(n1)[C@H](c1cccs1)C[C@@H](c1ccc(Br)cc1)N2 13127518 LQIHLRIYPKSCNX-RYUDHWBXSA-N 376.283 3.831 0 40 GHAB O=C(Cn1ccnc1)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1 19376022 MLBQIWOOANFSHX-UHFFFAOYSA-N 376.435 3.775 0 40 GHAB CC(C)c1nc(C[C@H](NC(=O)c2cccc(F)c2)c2ccc(F)cc2)cc(=O)[nH]1 19453528 WGWMVQQHQBASMY-IBGZPJMESA-N 397.425 3.885 0 40 GHAB COCCn1cnc2cc(C(=O)Nc3ccc4c(c3)nc(C(C)C)n4C)ccc21 19453819 PHSAUDJFWZJMDE-UHFFFAOYSA-N 391.475 3.945 0 40 GHAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccnn3C(F)F)n2)c1 19552707 FAEYCAAZNZCGQW-UHFFFAOYSA-N 380.376 3.671 0 40 GHAB CCn1cnc2sc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)c(C)c2c1=O 19717311 JMURDSQJJQEATN-AWEZNQCLSA-N 397.500 3.819 0 40 GHAB CCCn1c(=O)n(CC(=O)Nc2cccc(Br)c2)c2ccccc21 6849175 BEPABJWHVJPXON-UHFFFAOYSA-N 388.265 3.614 0 40 GHAB COc1ccc(CCN(C)C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1OC 30778089 WDYSUJRHPIRPRB-UHFFFAOYSA-N 398.503 3.810 0 40 GHAB O=C1COC2(CCN(Cc3c(F)cccc3F)CC2)CN1c1cccc(F)c1 2037839969 GZMHDLGBJPUERG-UHFFFAOYSA-N 390.405 3.502 0 40 GHAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)ccc3C)nc2O)cc1 4317377 KAKAPZSUTGUIEV-UHFFFAOYSA-N 394.500 3.824 0 40 GHAB Cc1cc2cc(CNC(=O)N[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)ccc2[nH]1 4374392 GKGLNEHGIRENAS-KRWDZBQOSA-N 396.878 3.734 0 40 GHAB Cc1ccc(N2C[C@@H](NC(=O)Nc3ccc(OC(F)F)cc3)CC2=O)cc1C 5188630 DZHHDWQZHINREC-HNNXBMFYSA-N 389.402 3.832 0 40 GHAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc2c(s1)Cc1ccccc1-2 9912113 JMCRNGXLJMZGTL-UHFFFAOYSA-N 398.509 3.907 0 40 GHAB O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)NCCc1ccccc1 11834898 VOKYPXOTCUOPFT-UHFFFAOYSA-N 397.475 3.826 0 40 GHAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 12377387 JDISKVMLRXGPOM-MYNGYRLFSA-N 395.414 3.812 0 40 GHAB Cc1nc(S[C@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)NCc1cccs1 23138690 AIRKPLDVFZGUHI-CQSZACIVSA-N 399.541 3.852 0 40 GHAB CO[C@H]1CCN(c2ccc(C(=O)NCc3cncc(-c4ccsc4)c3)cc2)C1 206948384 KQQOCJPQPQOOGZ-NRFANRHFSA-N 393.512 3.965 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(c2nnc3ccccn23)C1 2298254437 UDTZDOHKVQTBDL-UHFFFAOYSA-N 393.834 3.586 0 40 GHAB COC(=O)Cn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(C)ccc21 100876033 MNQDQLMXRCEKKJ-VLGSPTGOSA-N 380.878 3.640 0 40 GHAB Cc1cc(N2CCN(C(=O)[C@@H](C)SCc3ccccc3)CC2)nc(C(C)C)n1 40144536 BUDCKKAKLICQAC-GOSISDBHSA-N 398.576 3.879 0 40 GHAB CC(=O)Nc1ccc(S[C@H](C)C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 40153889 QZCNRVRKAXRSIZ-ACJLOTCBSA-N 391.562 3.606 0 40 GHAB COc1ccccc1CCNC(=O)Cn1ccc2c(Br)cccc21 40266519 NSWYVBISZXNXFP-UHFFFAOYSA-N 387.277 3.771 0 40 GHAB COc1cccc(-c2nc(C)c(C(=O)N[C@@H](C(=O)O)c3ccccc3)s2)c1 40267416 ZTLKOHIVNNYTSY-MRXNPFEDSA-N 382.441 3.683 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)n1C 787056 ACYHWHKVMAIEBH-UHFFFAOYSA-N 382.489 3.838 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(C)c(C)s1 904525 DFXHBEHWQKYCIE-UHFFFAOYSA-N 387.534 3.693 0 40 GHAB aggregator CC(C)C[C@H](NC(=O)c1ccc(Cl)nc1Cl)c1nnc2ccccn12 20738612 JGWDDJGHQIQAST-LBPRGKRZSA-N 378.263 3.948 0 40 GHAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2ccccc2F)cc1 20732653 YZBFTSBDFVOWPW-QGZVFWFLSA-N 380.379 3.869 0 40 GHAB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccc(OC(F)F)cc1 3290928 QSSCYOPCULQBRT-UHFFFAOYSA-N 387.338 3.942 0 40 GHAB Cc1cc(C(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c(C)n1C1CC1 6087731 YNVNMAACXMQAGU-UHFFFAOYSA-N 381.501 3.973 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 7872027 OXEPQCDWGZVECT-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 32857705 GLNNUPZKYYHRHJ-DJJJIMSYSA-N 383.835 3.752 0 40 GHAB CS(=O)(=O)c1ccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)cc1 32858195 TXYQEIMZFLDGQK-UHFFFAOYSA-N 394.452 3.742 0 40 GHAB Cc1ccc(-c2nc(CC(=O)O[C@@H](C(N)=O)c3ccc(F)cc3)cs2)c(C)c1 10761423 YJYYHZIMHQNGDH-LJQANCHMSA-N 398.459 3.878 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 21895444 SSIIQNDUDWUVFJ-GASCZTMLSA-N 398.956 3.633 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](N1C[C@H](C)O[C@@H](C)C1)C(Cl)(Cl)Cl 100725982 ZTMJPTGKJORMEG-HUBLWGQQSA-N 379.715 3.530 0 40 GHAB COc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC2=O)cc1 635619 BUEFOBUTDKXVBS-NSHDSACASA-N 379.243 3.994 0 40 GHAB CSc1nnc(-c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)n1C 3041842 GNMLVVMPZBEFIS-UHFFFAOYSA-N 381.288 3.721 0 40 GHAB CCOc1ccc([C@]2(O)[C@@H](C)[N+]3=C(CCCC3)N2c2ccc(OC)cc2)cc1 3172619 NLDGUOOVOCFLIA-UZUQRXQVSA-N 381.496 3.743 0 40 GHAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)cc2c1 23054688 QXTDEGBWOLBRJO-UHFFFAOYSA-N 387.439 3.753 0 40 GHAB Cn1c(SCc2cc(Cl)cc3c2OCOC3)nc2sccc2c1=O 28853030 FKNHWXZXZKOEBH-UHFFFAOYSA-N 380.878 3.807 0 40 GHAB COc1ccc(C)cc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22386888 PPICGZJFXQGENQ-UHFFFAOYSA-N 390.505 3.532 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(CCOc2ccccc2)CC1 23228589 KOMZDJPXLUZWLH-UHFFFAOYSA-N 391.515 3.714 0 40 GHAB CCOc1cc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2cccnc2)ccc1OC 100148522 BIJHRSLOPPGMTG-PMACEKPBSA-N 382.504 3.609 0 40 GHAB O=C(COC(=O)Cc1ccccc1F)Nc1ncc(C(F)(F)F)cc1Cl 3268474 GMLRSNJOOYXBHR-UHFFFAOYSA-N 390.720 3.617 0 40 GHAB O=C(c1ccccc1Nc1ccc(F)cc1)N1CCN(C[C@H]2CCCO2)CC1 23732467 VIIDJECESQFJRH-LJQANCHMSA-N 383.467 3.506 0 40 GHAB C[C@H](OC(=O)c1cc(Br)ccc1F)C(=O)N1[C@@H](C)CCC[C@@H]1C 105547624 INJMDDPRRFOOPN-SRVKXCTJSA-N 386.261 3.923 0 40 GHAB Cc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 24258531 QSMDJWPTMUZTPC-CYBMUJFWSA-N 384.910 3.502 0 40 GHAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 55062825 JRIPFSJGQQAPTQ-BGWNEDDSSA-N 389.543 3.927 0 40 GHAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1Cl 106748302 RJOVNJQXBYBFEH-IPYPFGDCSA-N 375.881 3.530 0 40 GHAB COc1ccccc1-c1cc(C(F)(F)F)n(-c2cc(C)nc(NC(C)=O)n2)n1 1407821 UTNNLBKRJPESPK-UHFFFAOYSA-N 391.353 3.624 0 40 GHAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@H](C(=O)Nc2ccccc2)C1 35287176 YJEOTNNCCNPLTQ-GJZGRUSLSA-N 387.430 3.643 0 40 GHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)n2)c(OC)c1 8605305 XKGQYMUHSMZNIU-CYBMUJFWSA-N 397.406 3.722 0 40 GHAB C[C@H]1CCc2ccccc2[C@H]1NC(=O)CCN1C(=O)CCc2cc(F)ccc21 89930135 RKIJKQAUNRRBGK-WNSKOXEYSA-N 380.463 3.935 0 40 GHAB O=C(c1ccccc1NC(=O)C1(c2ccccc2)CCCC1)N1CCOCC1 22467675 QVAFDYCKAJRQJE-UHFFFAOYSA-N 378.472 3.610 0 40 GHAB Cn1cc(C(=O)Nc2ccc(Br)cc2F)c(=O)c2ccccc21 22234157 DBWGPVSFXCZPCF-UHFFFAOYSA-N 375.197 3.692 0 40 GHAB Cc1cccc(-n2c(SCC(=O)NC(C)(C)C)nc3ccsc3c2=O)c1 57487464 XXIRFLBKIXDSEZ-UHFFFAOYSA-N 387.530 3.762 0 40 GHAB CCOc1ccccc1Nc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 2110895 KYIFLOPDOFFVMU-UHFFFAOYSA-N 393.443 3.626 0 40 GHAB biogenic Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC1=NCCS1 48221886 OGQWCYFVAUTVPV-UHFFFAOYSA-N 379.894 3.795 0 40 GHAB Cc1ccc2nc(-c3ccccc3)c(CSc3nnc(C4CC4)n3N)n2c1 10503686 LYHVTAGYVCIQPG-UHFFFAOYSA-N 376.489 3.785 0 40 GHAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc(OC)c1O 36365752 LDVUYNJKSPEWNE-GFCCVEGCSA-N 383.379 3.858 0 40 GHAB O=C(NCc1ccnc(-n2cccn2)c1)Nc1ccc(-c2nccs2)cc1 48311368 ODFDXRAUMFLLNK-UHFFFAOYSA-N 376.445 3.713 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 10882901 ZHJQOGQTHMECPK-UHFFFAOYSA-N 396.512 3.900 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(C[C@@H]1CCCO1)C3=O 2393098 MFPOOANXSNVSMM-JXFKEZNVSA-N 393.414 3.965 0 40 GHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccco1 8359860 KGIIQRWAILQBGS-HNNXBMFYSA-N 396.468 3.522 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 12894944 ATIGBYGVPOXWNK-GASCZTMLSA-N 398.956 3.633 0 40 GHAB C[C@H]1C(=O)N(Cc2ccc(-n3cccn3)cc2)C(=O)N1c1ccc(Cl)cc1 11256923 KQPUQFUPPSIDPH-AWEZNQCLSA-N 380.835 3.883 0 40 GHAB CCOc1ncccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 3411229 RERXTFJMIQIYEW-UHFFFAOYSA-N 389.455 3.705 0 40 GHAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)cs2)cc1 12923520 FFZDGBSGNOBEJO-UHFFFAOYSA-N 395.484 3.985 0 40 GHAB CN1C(=O)c2ccc(NC(=O)NCc3ccc(Cl)cc3Cl)cc2C1=O 12986368 OQMIHUTZYDKKOQ-UHFFFAOYSA-N 378.215 3.541 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1 8428974 QZBDMSJUTBWHFI-GOSISDBHSA-N 380.444 3.934 0 40 GHAB CC(C)N1C(=O)/C(=C2/CC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 13655459 WOJDJTQJWXIKIO-MNDPQUGUSA-N 380.831 3.812 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1C 5289668 HXZAYHHICVKPHO-KDOFPFPSSA-N 383.469 3.921 0 40 GHAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1ccc[nH]1 4494139 RBSPDKYKVHPPMC-OAHLLOKOSA-N 386.452 3.566 0 40 GHAB O=C1C[C@@H](N2CC=C(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 18190447 OVKXUNWCQHQOQZ-LJQANCHMSA-N 384.838 3.900 0 40 GHAB Cc1ccc(Nc2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)s2)cc1Cl 14199529 QYJOQJSWIRQGME-NSHDSACASA-N 399.929 3.555 0 40 GHAB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)c2cccc(OC)c2)cc1 4544774 MMSWFVBCIAMBGF-UHFFFAOYSA-N 399.443 3.629 0 40 GHAB O=C(CN1CCC(OCc2ccccc2)CC1)Nc1ccnn1C1CCCC1 8748777 ZXBULFWBODDXCT-UHFFFAOYSA-N 382.508 3.618 0 40 GHAB CN(CC(=O)NCc1ccco1)C(=O)c1sc2cc(F)ccc2c1Cl 6852824 UYPNZVFQERCJET-UHFFFAOYSA-N 380.828 3.675 0 40 GHAB CCOc1ccc(-n2c(CSc3nncs3)nc3ccccc3c2=O)cc1 7784100 MKWYEFSSYPOELS-UHFFFAOYSA-N 396.497 3.928 0 40 GHAB Cc1ccc(OCc2nc(C(=O)O[C@@H](C)C(=O)NC3CCCC3)cs2)cc1 16160072 WTAZBZWXKMBUBL-AWEZNQCLSA-N 388.489 3.635 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1 7990655 GJOTYKSKDBDMNQ-UHFFFAOYSA-N 388.515 3.785 0 40 GHAB CCN(CCc1cccc(Br)c1)CC(=O)Nc1ccccc1OC 96003723 QRNKYLKFWUYEKS-UHFFFAOYSA-N 391.309 3.961 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccn2)N1c1nccs1 9328196 XSVMCTMLENZQND-HNNXBMFYSA-N 379.372 3.533 0 40 GHAB C[C@H](Oc1cccc(C(=O)/C=C/c2cc(Cl)ccc2[N+](=O)[O-])c1)C(=O)O 78868957 VDTUSEWVWCOORS-BWNDKRECSA-N 375.764 3.996 0 40 GHAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccco1 9566767 ZVLJFCXAQHOXHT-LSDHHAIUSA-N 376.526 3.981 0 40 GHAB CCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C 9699241 VEOAFMYNJOLAPW-UHFFFAOYSA-N 378.807 3.781 0 40 GHAB O=C(Nc1cccc2cccnc12)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 79058464 HYHFERKSRRMIQE-DOTOQJQBSA-N 383.473 3.653 0 40 GHAB CCOC(=O)CCN(CC1CC1)c1cc(C(F)(F)F)nc(-c2ccccn2)n1 79109181 FRFPSKXUPDYLFC-UHFFFAOYSA-N 394.397 3.727 0 40 GHAB CC(C)C(=O)N1CCCN(C(=O)c2csc(-c3cc4ccccc4o3)n2)CC1 95957379 DCBYZTFZWOZHDK-UHFFFAOYSA-N 397.500 3.887 0 40 GHAB COc1ccc(CCNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1OC 64580977 ICXHNKFGQGQMDZ-UHFFFAOYSA-N 385.851 3.515 0 40 GHAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)CSc1ccc(Cl)cc1 20153732 WNTLUTQKBZSVFH-UHFFFAOYSA-N 394.905 3.952 0 40 GHAB CC1(C)[C@H]2CC=C(CN3CC[C@]4(COCc5cnc(NC6CC6)nc54)C3)[C@@H]1C2 306142591 XDXZTBOPFRAGOW-WCAVRKLYSA-N 380.536 3.517 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)Nc2cccc(F)c2)CC1 35314121 FWRNNFTVAUZNRQ-UHFFFAOYSA-N 384.407 3.724 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1ccc(OC(=S)N2CCOCC2)cc1 408721416 GYBGHJZOEMNSMB-UHFFFAOYSA-N 376.865 3.588 0 40 GHAB Cc1cccc(C)c1NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 409173971 OIXHMTDMGSDFKO-UHFFFAOYSA-N 388.533 3.809 0 40 GHAB COCCN1CCCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 35588203 CFAWMZMYCZIPRF-UHFFFAOYSA-N 380.897 3.540 0 40 GHAB Cc1ccc([C@H](CCC(=O)O)N2CCN(C(=O)c3cccc(C)c3)CC2)cc1 408611578 UAIUZCXRRBNFSB-NRFANRHFSA-N 380.488 3.667 0 40 GHAB COc1ccc(CCNC(=O)c2cn(C(C)C)c(=O)c3ccccc23)cc1OC 72324640 WHMGHDWGHOVICF-UHFFFAOYSA-N 394.471 3.572 0 40 GHAB biogenic CCCC(=O)N1CCN(CCC)C(=O)[C@@H]1Cc1cccc(-c2cccnc2)c1 72351747 RRADZENYAMYPDM-NRFANRHFSA-N 379.504 3.541 0 40 GHAB COC(=O)c1ccc(NC(=O)N(CC2CC2)C[C@H]2CCCN3CCCC[C@@H]23)cc1 1565520615 YNYAWUICZRYKOA-CTNGQTDRSA-N 399.535 3.982 0 40 GHAB biogenic O=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)c1cccc2cn[nH]c12 41380465 ISIIOCFHYXMYOU-UHFFFAOYSA-N 376.460 3.509 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3cn(C)nc3[C@@H]3CCCNC3)n2)c(C)c1 565357529 KPPKYNPUWMPREU-OAHLLOKOSA-N 395.532 3.880 0 40 GHAB CCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC 225252882 WUHRHCBEMILECU-UHFFFAOYSA-N 390.530 3.899 0 40 GHAB COc1ccccc1N(CCCC(=O)Nc1ccccc1Cl)S(C)(=O)=O 222576469 UFSFZXDGRJLPEU-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2F)c(C)c1C 225139465 UXTSNAXUXCWMAL-UHFFFAOYSA-N 383.510 3.663 0 40 GHAB Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225058778 ZJKOZIUFLSSAHX-SFTDATJTSA-N 391.544 3.895 0 40 GHAB CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(C)c2C)cc1OCC 223962764 IMEVZUHHYAQGAM-UHFFFAOYSA-N 393.505 3.588 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)ccc1C 223824631 KMDYITJOVKCDGC-UHFFFAOYSA-N 389.473 3.904 0 40 GHAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 223706270 KXZOPNTVWQGLHU-WOJBJXKFSA-N 398.532 3.534 0 40 GHAB CCC(C)(C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225749986 IAUQILIDLCRCRZ-UHFFFAOYSA-N 390.530 3.578 0 40 GHAB COc1ccc(Cl)cc1[C@H](O)CNC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 529454417 RQSDJBNEQRANNG-JFIYKMOQSA-N 377.843 3.831 0 40 GHAB CCOCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 222767523 GHIPWZCPKRTPIZ-FQEVSTJZSA-N 396.531 3.579 0 40 GHAB COc1ccc(C[C@](C)(O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1 77184762 JPXFRZGPADSIKQ-VWLOTQADSA-N 389.495 3.937 0 40 GHAB CSc1cccc(NC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)c1 77100463 GDMOPQRAPQULOY-UHFFFAOYSA-N 395.366 3.535 0 40 GHAB O=C(c1ccsc1)N1CCC2(CC1)OCC[C@H]2CCOc1ncccc1F 247886110 XBVKWYPZVGPVQJ-MRXNPFEDSA-N 390.480 3.763 0 40 GHAB Cn1nccc1C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257224232 FAWSHNVWAWDVFN-OAHLLOKOSA-N 384.867 3.672 0 40 GHAB CC(C)N1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 257227803 FQYPUXBFSVZWGL-GOSISDBHSA-N 383.414 3.832 0 40 GHAB O=C(NCCc1ccccc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@H]21 263584828 BIGTZVFWQRWBCF-ODAXIHTASA-N 379.548 3.834 0 40 GHAB Cc1cc(Br)c(CC(=O)N[C@@H](CCO)c2ccccc2F)s1 1615610086 ACVIQNJFXXSRMB-AWEZNQCLSA-N 386.286 3.741 0 40 GHAB Cn1ncc(NC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1-c1ccccc1 654083794 WSHLERMEEKRVTN-HIFRSBDPSA-N 382.386 3.709 0 40 GHAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 46468652 OVPZBCNYZKRDLO-RTBURBONSA-N 386.496 3.677 0 40 GHAB C[C@@H](C(=O)NC1CCCCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57291864 CISCZAXCUDNCOQ-HNNXBMFYSA-N 383.458 3.665 0 40 GHAB O[C@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3ccncc3)nn21 72396313 CLEGLCZQZYGFEY-SFHVURJKSA-N 377.404 3.545 0 40 GHAB Cc1sc2c(c1C)C(=C1C=C[C](Cl)C=C1)N=C(CC(N)=O)c1nnc(C)n1-2 1560411750 QCZWROZDTZHRGE-UHFFFAOYSA-N 398.899 3.540 0 40 GHAB Cc1cc(NC(=O)[C@@H]2CN(CC3CC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)sn1 1772595712 KMFAYCDEDLSJCB-GJYPPUQNSA-N 387.480 3.621 0 40 GHAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 5117336 DEIQULADMDGGKE-UHFFFAOYSA-N 381.215 3.747 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1 12158100 MJVGWDPXCLODKS-UHFFFAOYSA-N 397.475 3.517 0 40 GHAB CCc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4cccnc4)ncc32)on1 12276665 SKBGWSUGNMQEPV-KRWDZBQOSA-N 377.448 3.533 0 40 GHAB Cc1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1C(F)(F)F 14846125 QFIDJPRBIRAWHV-UHFFFAOYSA-N 377.366 3.696 0 40 GHAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 15439567 LNAKTFVRIHQGIO-UHFFFAOYSA-N 388.398 3.917 0 40 GHAB CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1C(C)C 6439478 NPVMNUOVAAGICJ-WOJGMQOQSA-N 396.443 3.772 0 40 GHAB COc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=S)NC(=O)c1ccccc1 226355770 CNSXJJJQBHXUMT-UHFFFAOYSA-N 396.424 3.780 0 40 GHAB Cc1cc(C(=O)N2CCC(c3cc(C(F)F)n4ncnc4n3)CC2)sc1C 13226753 SNAMQTPKOKGGJG-UHFFFAOYSA-N 391.447 3.760 0 40 GHAB CCN1CCN(Cc2c(NC(=O)c3ccc(F)cc3)sc3c2CCC3)CC1 22461400 YXQIFCNSTZPGKB-UHFFFAOYSA-N 387.524 3.766 0 40 GHAB O=C(CNc1cc(Cl)ccc1N1CCOCC1)Nc1ccc(F)c(F)c1 6250158 UEFUDOVASUYYPK-UHFFFAOYSA-N 381.810 3.505 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)CCc2nc(-c3ccsc3)no2)cc1 21960334 FNMQLNQKQALUQR-UHFFFAOYSA-N 398.532 3.889 0 40 GHAB CCOC(=O)c1ccc(Nc2ccc(I)cc2)c(N)c1 41082661 ANBRXMVCQZEVNN-UHFFFAOYSA-N 382.201 3.794 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccco3)s2)c1C 4077900 YUNUTKDKFUBUIG-UHFFFAOYSA-N 388.474 3.731 0 40 GHAB CC(C)C(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21 5136587 FGRQTODOFKZIMV-UHFFFAOYSA-N 376.453 3.562 0 40 GHAB COc1nccnc1N(C)CC1CCN(C(=O)c2cc3ccccc3s2)CC1 1775976585 BQHZICGQVSFNEQ-UHFFFAOYSA-N 396.516 3.689 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1cn(-c2ccccc2)c(=O)cc1OC 206825527 DVPLCXVAMGPXTH-UHFFFAOYSA-N 384.819 3.760 0 40 GHAB COc1ccccc1C1(CNC(=O)c2ccc(-n3cccc3)cc2)CCOCC1 49520726 PKXDYODXJGLYFZ-UHFFFAOYSA-N 390.483 3.964 0 40 GHAB Cc1ccc(NC(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)cc1C 225780339 BVVYLCHBRVALRF-UHFFFAOYSA-N 382.851 3.555 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccc(Br)o1 585148237 TUUVQHKTVIDLAJ-ZDUSSCGKSA-N 376.206 3.766 0 40 GHAB Cc1cccc(OCc2nnc(SCCn3c(=O)oc4ccccc43)o2)c1 40071059 HHHPNQFDVITSBY-UHFFFAOYSA-N 383.429 3.657 0 40 GHAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1ccc(OCC(F)(F)F)cc1 40146103 PJMFNZWZVNRCSG-IBGZPJMESA-N 390.361 3.521 0 40 GHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)n2)cc1OC 7615838 QFAOBCDIWDATEQ-MRXNPFEDSA-N 393.443 3.891 0 40 GHAB Cc1ccccc1C(=O)Nc1ccc(-c2nnc(S[C@@H](C)C(=O)O)n2C)cc1 713405 YMFZHHDVDGPLCK-ZDUSSCGKSA-N 396.472 3.608 0 40 GHAB Clc1cccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)c1 20662184 FKBPTRHFDQCTHC-UHFFFAOYSA-N 390.878 3.796 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1C[C@@H]1CCCO1 1364599 AFYJPHYWEHRWKC-INIZCTEOSA-N 386.521 3.628 0 40 GHAB Cc1ccc(N2CCN(CCCN3CCN(c4ccccc4C)CC3)CC2)cc1 2022100 AKNLXGXCSKQZRS-UHFFFAOYSA-N 392.591 3.638 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)COc1ccc(Cl)cc1Cl 3314041 GEZJWPKVSUCNQB-GFCCVEGCSA-N 394.254 3.893 0 40 GHAB Cc1c(NC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)ccc(Br)c1Cl 101656885 YUJYDADCILGKBW-CSVDQLGKSA-N 384.657 3.547 0 40 GHAB Cc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@H](C)C(=O)NCc1ccccc1)C2 4222655 BTHRYRMFMOCZBT-QFBILLFUSA-N 395.499 3.824 0 40 GHAB biogenic,in-vitro COc1ccc(OCC(=O)Nc2ccc(C)c(I)c2)cc1 2654300 XVZJSVUIFRISFH-UHFFFAOYSA-N 397.212 3.626 0 40 GHAB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)c2ccccc2)n1C 6451501 GZCMCFAWBHMVPO-OAHLLOKOSA-N 394.500 3.590 0 40 GHAB CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 7724176 OYLSJGWPKFHCIX-UHFFFAOYSA-N 392.908 3.939 0 40 GHAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 32730070 TVKGVRIFZAZZAS-INIZCTEOSA-N 389.496 3.577 0 40 GHAB C[C@@H]1CCc2[nH]c3c(C(=O)N4CCN(Cc5ccccn5)CC4)cccc3c2C1 32823775 VNRZKEGYABZJGG-QGZVFWFLSA-N 388.515 3.646 0 40 GHAB Cc1nc2nc(SCc3cc(Cl)cc4c3OCOC4)nn2c(C)c1C 32937246 TVWCSTDYOGRXEQ-UHFFFAOYSA-N 376.869 3.862 0 40 GHAB CC(=O)Nc1c(C)cccc1C(=O)OCc1ccc(C(=O)N2CCCC2)cc1 21731382 JBDWCLWYAQMEPV-UHFFFAOYSA-N 380.444 3.546 0 40 GHAB COc1cc2c(cc1NC(=O)c1ccccc1OCC(N)=O)oc1ccccc12 21742097 BJIGZBUWUMSUNC-UHFFFAOYSA-N 390.395 3.711 0 40 GHAB CN1CCN(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 22034878 OTBVCMZNJBUSFU-MRXNPFEDSA-N 392.330 3.710 0 40 GHAB COc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nnnn32)cc1 2914456 NYFVVEWLRMJXEF-CVEARBPZSA-N 386.253 3.591 0 40 GHAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCCN1CCCC1=O 12408682 IWKMYSUKWZENKM-UHFFFAOYSA-N 377.897 3.514 0 40 GHAB O=C(NCCOc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 59488265 OXSLMAPFYCGWIR-CYBMUJFWSA-N 393.270 3.542 0 40 GHAB O=C(CN1CCN(Cc2ccsc2)CC1)Nc1cc(Cl)ccc1Cl 22912418 USZKCSGVQFTJPT-UHFFFAOYSA-N 384.332 3.811 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)Cc2cccc(F)c2)c2ccccn2)CC1 100750326 KBOXTXOIPPTSKR-HFJQGTKSSA-N 397.494 3.563 0 40 GHAB O=C(NCc1ccccc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 23718522 XWGRAUNTSLEALT-UHFFFAOYSA-N 378.398 3.522 0 40 GHAB c1cc2c(cc1CSc1nnc3c4c5c(sc4ncn13)CCC5)OCO2 1249509 MJDXZRBKBWOKIG-UHFFFAOYSA-N 382.470 3.849 0 40 GHAB O=C(c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1)N1CCCC1 24745006 MNCILZFYLKFFMY-UHFFFAOYSA-N 378.472 3.610 0 40 GHAB Cc1cc(NC(=O)c2cccc(Cn3cccn3)c2)n(-c2ccc(F)cc2)n1 28243394 QNNJMNPRRWJOAB-UHFFFAOYSA-N 375.407 3.817 0 40 GHAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@H](C)CCc1ccc(O)cc1 47988063 XXQFEVSEPLDNDU-HNNXBMFYSA-N 381.476 3.736 0 40 GHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2cnc3ccccc3c2)CC1=O 25531941 YCXRNEAMZILCTP-INIZCTEOSA-N 375.428 3.625 0 40 GHAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1cc(Cl)ccc1N1CCCC1 108062307 SHXNKKCGZDKLMU-HRCADAONSA-N 389.927 3.821 0 40 GHAB Cc1noc(C)c1CCC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24933257 KGJJJMOFHRPWGR-FQEVSTJZSA-N 378.476 3.663 0 40 GHAB C[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1nc(-c2ccccc2)c[nH]1 58161769 LAUOOYAAWLVQRB-VQIMIIECSA-N 393.491 3.867 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)n1CC(F)(F)F)c1ccccc1 58181689 VNAYIXZPDIZOIS-UHFFFAOYSA-N 378.379 3.877 0 40 GHAB CC(=O)c1ccc(NC(=O)CCN2CCC(C(=O)c3ccccc3)CC2)cc1 25946773 ABYJIJPGRRJYFH-UHFFFAOYSA-N 378.472 3.813 0 40 GHAB Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)N1c2ccccc2Sc2ccccc21 44926734 XHQKCJVRVWOAEF-LBPRGKRZSA-N 395.440 3.940 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCO[C@H](c2ccccc2)C1 27906964 ASDMVGPTJWSJBP-QFIPXVFZSA-N 375.472 3.632 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@H]2C)c1 10694193 LDHNGGZDOPZLSS-CQSZACIVSA-N 392.546 3.538 0 40 GHAB CSc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 408588480 CWLFFZWKMGSLGY-UHFFFAOYSA-N 392.546 3.904 0 40 GHAB COc1ccc(CN2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 28403925 POHCNYXHBOREQA-CYBMUJFWSA-N 393.270 3.989 0 40 GHAB CCOc1ccc2[nH]c3c(N4CCN(c5ccccc5F)CC4)ncnc3c2c1 2434871 QBFZVSRAUBTCCS-UHFFFAOYSA-N 391.450 3.976 0 40 GHAB Cc1cccc(S(=O)(=O)c2c(N)n(CC(C)C)c3nc4ccccc4nc23)c1 2416673 APJUBKBXRACSKB-UHFFFAOYSA-N 394.500 3.964 0 40 GHAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1nc(N)nc(Nc2ccccc2)n1 48325263 OIPYYLBUCIFQKB-GFCCVEGCSA-N 390.476 3.836 0 40 GHAB COC(=O)c1cc(CSc2nc(O)c3cnn(-c4ccccc4)c3n2)oc1C 12881702 ZCDHTQHLRKZGBH-UHFFFAOYSA-N 396.428 3.501 0 40 GHAB COC(=O)c1cc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)ccc1F 12807925 KYQXQANBDKTILX-UHFFFAOYSA-N 381.407 3.596 0 40 GHAB O=C(NCCc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(Cc2ccccc2)C1 3409649 FDOYLIONKVWWFS-MRXNPFEDSA-N 391.298 3.701 0 40 GHAB Cc1cc(C)n2nc(C(=O)NCCC(c3ccccc3)c3ccccc3)nc2n1 3427573 HQAIYSZHFPDWQL-UHFFFAOYSA-N 385.471 3.693 0 40 GHAB C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1ccccc1Cl 12901141 OSHSSXWSYXQJQD-CHWSQXEVSA-N 392.908 3.542 0 40 GHAB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2cccc(C)c2)cc1 408970019 YRDJVZZDDGUTMQ-UHFFFAOYSA-N 378.428 3.873 0 40 GHAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1cncn1-c1ccccc1 8231015 NKTVDGVTFCEYFR-UHFFFAOYSA-N 384.439 3.736 0 40 GHAB Cc1ccccc1Nc1nc(N2CCN(c3ccccc3)CC2)nc2c1cnn2C 4272762 FHEQSZIMMMSOCD-UHFFFAOYSA-N 399.502 3.742 0 40 GHAB CCn1nccc1CN(C)C(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 17079317 YEYRPCLSVZJPJQ-UHFFFAOYSA-N 388.475 3.526 0 40 GHAB C[C@@H](NCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1cccs1 14196722 HRDKVKSZSRHUOI-GOSISDBHSA-N 393.556 3.896 0 40 GHAB CNc1nc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc2ccccc12 14226916 HIQPBSDOACOLMH-LLVKDONJSA-N 382.445 3.520 0 40 GHAB Cc1ccccc1-n1cnnc1SCc1nc2cc(Cl)ccc2c(=O)[nH]1 6590396 DMFLQUJLCFMEHN-UHFFFAOYSA-N 383.864 3.758 0 40 GHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCCCC2)c1 4872524 BRGULJXPUDQHMR-LJQANCHMSA-N 388.508 3.913 0 40 GHAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7498377 MMFQEPZAXQPWTR-FQEVSTJZSA-N 383.354 3.587 0 40 GHAB Cc1nn(CC(C)C)c2sc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)cc12 8745783 FZWQMMDUZUYVSF-OAHLLOKOSA-N 399.516 3.974 0 40 GHAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc(Oc2ccccc2)cc1 71281320 TWDBHZRHDKELHR-UHFFFAOYSA-N 375.428 3.553 0 40 GHAB CCCCc1ccc(NC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 9112325 GODGAHFXGGTODJ-UHFFFAOYSA-N 390.867 3.808 0 40 GHAB COc1ccc(NC(=O)Cc2c(C)c3ccc(OC)c(C)c3oc2=O)c(OC)c1 9253129 MFGSMJKNSCUGKS-UHFFFAOYSA-N 397.427 3.617 0 40 GHAB O=C(COc1ccc(I)cc1)Nc1ccc(F)cc1F 22740235 GLRADEFUZJRGKA-UHFFFAOYSA-N 389.139 3.587 0 40 GHAB Cc1ccc(-c2cc(CS(=O)(=O)N[C@H](C)c3ccc4c(c3)CCO4)on2)cc1 84171866 YJJAYQYPJXZTMA-OAHLLOKOSA-N 398.484 3.766 0 40 GHAB CCCCS(=O)(=O)N1CCC2(CC1)C[C@@H]2c1nnc(-c2cccc(F)c2)o1 71890652 WMAOWCBMTOLLGS-MRXNPFEDSA-N 393.484 3.575 0 40 GHAB C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1cccc(C2SCCS2)c1 71820760 DOJORUOIPPAWGE-SNVBAGLBSA-N 393.563 3.606 0 40 GHAB O=C(c1ccc(F)cc1)N1CCCN(CCOc2ccccc2Cl)CC1 97134387 PZZALXXWBYJDMW-UHFFFAOYSA-N 376.859 3.706 0 40 GHAB C[C@@H](NC(=O)c1csc(-c2ccccn2)n1)c1ccc2c(c1)CCC(=O)N2 84651738 LUSLFIWAQCGROE-GFCCVEGCSA-N 378.457 3.581 0 40 GHAB C[C@H]1Sc2ccccc2N(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@@H]1C 79025790 KNCPXYRSQKPDQY-HUUCEWRRSA-N 395.528 3.907 0 40 GHAB COc1ccc2c(C)c(CCC(=O)N3CCSc4ccncc43)c(=O)oc2c1 79055788 WTZNKBXNUPZIPR-UHFFFAOYSA-N 396.468 3.577 0 40 GHAB CCCCCCOc1ccc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)cc1OC 62714582 ATZDAYPVMKBJPL-XETPZZHUSA-N 377.481 3.893 0 40 GHAB O=C(CCc1ccccc1)N1CC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306123294 AJHYGQITRHHOHQ-OAQYLSRUSA-N 397.482 3.740 0 40 GHAB Cc1ccc(N2CCN(C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1 31666967 XCDBQPRZWHNLCS-QHCPKHFHSA-N 376.500 3.710 0 40 GHAB Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccccc1NC(=O)c1ccccn1 35314376 MECBDVLNNJTYAA-UHFFFAOYSA-N 377.448 3.617 0 40 GHAB O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 35399218 BEGXKFCVRHZHFI-UHFFFAOYSA-N 397.475 3.722 0 40 GHAB biogenic C[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(Br)cc2)C[C@@H](C)O1 31807883 XUWKPGLDDIZZFS-CHWSQXEVSA-N 391.265 3.886 0 40 GHAB CCn1ncc(CNc2nc(-c3cnn(CC)c3C)cc(C(F)F)n2)c1C 36613797 HXJPGCRCLQNESP-UHFFFAOYSA-N 375.427 3.743 0 40 GHAB Cc1c(C(=O)O)sc2ncnc(N3CCC[C@@]4(C3)OCc3ccccc34)c12 521252489 IPWPYTTTXREQQM-FQEVSTJZSA-N 381.457 3.724 0 40 GHAB O=C(NCc1cccs1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 36709383 ZKBWOQLZDGZYDT-UHFFFAOYSA-N 394.472 3.668 0 40 GHAB C=COCCCNc1ncc(-c2onc(C)c2CC)c(-c2cnc(C)cn2)n1 72337660 HRCCUVMYJHZLJB-UHFFFAOYSA-N 380.452 3.730 0 40 GHAB COC(=O)c1cc(NC(=S)Nc2ccc(F)cc2Cl)cc(C(=O)OC)c1 71761730 VHLDEMVUFULMGS-UHFFFAOYSA-N 396.827 3.861 0 40 GHAB CC1(C)CN(C(=O)Nc2ccc(-c3nncs3)cc2)C[C@H](C(F)(F)F)O1 564300305 BQICCVZIISAPQJ-GFCCVEGCSA-N 386.399 3.779 0 40 GHAB C[C@@H]1CCCN(c2ncc(-c3cncn3Cc3ccccc3CN(C)C)cn2)C1 72391889 FJYHZKOBKYUKSF-GOSISDBHSA-N 390.535 3.686 0 40 GHAB COc1cccc(Oc2nccnc2C2CCN(C(=O)c3cccnc3)CC2)c1 72362093 HHFRRAJJHPTTCT-UHFFFAOYSA-N 390.443 3.692 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(F)(F)F)c2)cc1OC 224799409 XXPZTVJYDZDATP-UHFFFAOYSA-N 375.368 3.548 0 40 GHAB Cc1ccccc1CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C 224314820 GSTVPFRRQUENSI-GOSISDBHSA-N 384.495 3.866 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1C 224234798 WHKPLDRSJJQCKY-UHFFFAOYSA-N 375.475 3.631 0 40 GHAB C=Cc1ccc(CSc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)cc1 46047254 UHYXZRUFFOMVJS-UHFFFAOYSA-N 378.432 3.955 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 225052888 UMDWDAUNRDIUOV-MOPGFXCFSA-N 382.504 3.706 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224100762 SWGFVTXEJRIBOP-IBGZPJMESA-N 396.531 3.817 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 222993203 VTHLCWFEYCSJMH-KBPBESRZSA-N 398.351 3.525 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2ccccc2C(C)C)cc1C 223834444 MYEFEVWSBRQQGL-UHFFFAOYSA-N 377.506 3.793 0 40 GHAB Cc1ccnc(NC(=S)N[C@H](CC(=O)O)c2ccc(Cl)cc2Cl)n1 225216304 LBXLIPQEJMJKQQ-GFCCVEGCSA-N 385.276 3.594 0 40 GHAB Cc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c(C)c1 44791896 FIJVVOKGAINADF-UHFFFAOYSA-N 395.484 3.532 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCCC2)cc(N2C[C@@H](C)C[C@H](C)C2)n1 225891042 JSTSXDBSEVRJBD-HOTGVXAUSA-N 390.601 3.502 0 40 GHAB C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 40104608 SVPLEZKIIXLLRY-CQSZACIVSA-N 392.463 3.523 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1 224776746 FESZLSCSEGLYAY-MRXNPFEDSA-N 388.895 3.662 0 40 GHAB O=S(=O)(c1ccccc1)N1CC[C@]2(CCCN2Cc2cccc(Cl)c2)C1 96203086 QLQIXQDMAHSEJY-HXUWFJFHSA-N 390.936 3.769 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C)cc3C)n2)cc1 95482426 PLCFZMOIOWRYGD-INIZCTEOSA-N 395.459 3.788 0 40 GHAB O=C(C[C@H]1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21)NC1CC1 96053435 FCPURGSYLPJMNR-IBGZPJMESA-N 391.515 3.651 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)CCNc2ncccn2)c2ccccc12 95474717 PKNNXTOIKUKVCE-LJQANCHMSA-N 376.460 3.804 0 40 GHAB CCCC(=O)N1CCC(Cc2ccccc2-c2ccncc2)(C(=O)N(C)C)CC1 257262314 LKXLGZZRTMWUEL-UHFFFAOYSA-N 393.531 3.788 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 260588531 KJLUTYSOUXXFMG-QZTJIDSGSA-N 388.533 3.644 0 40 GHAB COc1ccccc1-c1noc(C2CN(C(=O)Nc3c(F)cccc3F)C2)n1 90567255 AMCALFYKTLGFRW-UHFFFAOYSA-N 386.358 3.655 0 40 GHAB CN(C[C@H]1C[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 585123586 HBCDLYBKTZUFNV-WAAGHKOSSA-N 397.191 3.582 0 40 GHAB CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3cc(C(F)(F)F)ccc32)CC1 96345680 ORGZPFXLPZZGNH-UHFFFAOYSA-N 385.386 3.920 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2C)n1N 5047324 QLMXMQAUENANCF-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCC(OC(=O)c3ccccc3)CC2)c(C)c1 5538440 KJRITOCZZCIJLA-UHFFFAOYSA-N 380.488 3.872 0 40 GHAB CC(=O)NC1(c2ccccc2F)CCN(Cc2c[nH]nc2-c2cccs2)CC1 12116972 ZMYGABDORCLNQI-UHFFFAOYSA-N 398.507 3.905 0 40 GHAB COc1cc(CCC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)ccc1C 12327273 IPIOYPCREPUUBP-UHFFFAOYSA-N 382.489 3.531 0 40 GHAB CCC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 12365822 HNDUJOWHQIEDDN-KDOFPFPSSA-N 379.476 3.901 0 40 GHAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccccc1)n2CC 12570223 WAGWAYHDFAVQKL-UHFFFAOYSA-N 383.473 3.964 0 40 GHAB Cc1cccn2cc(-c3cccc(NC(=O)CNC(=O)c4ccccc4)c3)nc12 13568825 BXPBEPOITVXNEU-UHFFFAOYSA-N 384.439 3.678 0 40 GHAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1cc(Cl)ccc1Cl 15190395 NUAZDPXGQIPQPG-UHFFFAOYSA-N 384.244 3.900 0 40 GHAB COc1ccc([C@H]2CN(C(=O)CCC3CCCC3)[C@@H]3CCCN(C(C)=O)[C@H]23)cc1 19017698 FIDGUQHFJKZSHX-CQOQZXRMSA-N 398.547 3.971 0 40 GHAB Cn1ccnc1C1(O)[C@H]2CCC[C@@H]1CN(Cc1ccc(OC3CCCC3)cc1)C2 19291381 CKUOTEWSNUKNKN-VXMMSVGHSA-N 395.547 3.861 0 40 GHAB O=S(=O)(c1cccc(F)c1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 19331092 PPDHATRYUSMVSH-GFCCVEGCSA-N 393.465 3.506 0 40 GHAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)CO2 19562386 CUXZTDSPICNBGT-JXFKEZNVSA-N 397.471 3.627 0 40 GHAB Cc1cn2c(=O)c(C(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)cnc2s1 19717070 HGKFHXYNRKDHGV-AWEZNQCLSA-N 396.516 3.691 0 40 GHAB CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCC[C@H]4O)sc3c2)ccn1 167861283 ADZBMFGQQWPHMJ-WMLDXEAASA-N 398.488 3.559 0 40 GHAB Cc1ccc(/C=[N+]2\N=C(O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 205828976 KEXUBAAEDQNOSR-DZAWMCJLSA-O 384.459 3.851 0 40 GHAB CCOc1ccc(CCNC(=O)/C=C/c2ccc3c(c2)OCCO3)cc1OCC 8352118 UPSMDQYMKRKPBD-JXMROGBWSA-N 397.471 3.627 0 40 GHAB COCCOc1cccc(CN2CCC[C@H]3NC[C@H](c4ccc(F)cc4)[C@H]32)c1 19593798 SFECSKRHESSVPD-DNVJHFABSA-N 384.495 3.571 0 40 GHAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1cc(Cl)sc1Cl 575608949 WUWRYYFNYIATHR-ZCFIWIBFSA-N 399.225 3.701 0 40 GHAB CC(C)N1CC[C@H](N2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)C1=O 1888876160 TYLKJCKEXDLCIK-YOEHRIQHSA-N 388.512 3.533 0 40 GHAB Cc1cc(NC2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)ncn1 1888876204 FOCCECHEJLCTRE-UHFFFAOYSA-N 379.386 3.912 0 40 GHAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)nc1 1889192009 IDRURWSPWTUBCJ-MRXNPFEDSA-N 393.413 3.937 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)N3CCN(c4ccccn4)CC3)o2)cc1C 14085246 RNMGZUHEEYSFGZ-UHFFFAOYSA-N 390.487 3.635 0 40 GHAB C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1cccc(Br)c1 27735300 SJGUOKNWHSKSDA-LBPRGKRZSA-N 376.250 3.988 0 40 GHAB CCN(C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 32809320 JFOBEUKFYRAPOP-UHFFFAOYSA-N 378.469 3.569 0 40 GHAB Cc1ccc(C)c2sc(N3CCCN(c4ccc5nccn5n4)CC3)nc12 2087066796 YOXQNXXHAJASEM-UHFFFAOYSA-N 378.505 3.673 0 40 GHAB CCCCn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(F)ccc21 4193271 CYRPWKPWGLFZFK-UHFFFAOYSA-N 377.412 3.913 0 40 GHAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 10784944 MQSHWCWHQLDCEW-AWEZNQCLSA-N 384.910 3.583 0 40 GHAB O=C(N(c1ccc(Oc2ccccc2)cc1)[C@H]1C=CS(=O)(=O)C1)C(F)(F)F 16839791 GCWNJTWDCVLOAJ-AWEZNQCLSA-N 397.374 3.685 0 40 GHAB O=C(CSc1nc2ccccc2s1)N1CCC[C@@H](Oc2ccncc2)C1 575612262 KLXJVGJZHYYEMV-OAHLLOKOSA-N 385.514 3.853 0 40 GHAB O=S(=O)(NCC[C@@H](CCO)c1cccs1)c1cccc2ccccc12 575607695 NMBQQUFCZWGZHZ-INIZCTEOSA-N 375.515 3.736 0 40 GHAB Cc1c(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cccc1C(=O)O 6571307 CPJHCKOYVAMXBP-UHFFFAOYSA-N 386.473 3.855 0 40 GHAB COc1cc(C=O)ccc1OCCCSc1nnc(-c2ccccc2)n1C 8731715 JEXTYVHPAWXUNF-UHFFFAOYSA-N 383.473 3.864 0 40 GHAB C[C@H]1CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C[C@H](C)O1 30807205 RUPXHWLLQDMSMP-RYUDHWBXSA-N 395.322 3.751 0 40 GHAB O=C(COC(=O)c1ccc(F)cc1)Nc1cc(C2CC2)nn1-c1ccccc1 40057217 PLXVSEGLBIRLMZ-UHFFFAOYSA-N 379.391 3.684 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(N2CCOC2=O)c1 40074140 PJKLTHKMBHNTER-FQEVSTJZSA-N 391.427 3.546 0 40 GHAB CCCn1nc(C(=O)N(CCc2ccccc2)Cc2ccccc2)ccc1=O 40159525 SWXLVUFSLWKLRW-UHFFFAOYSA-N 375.472 3.538 0 40 GHAB COc1cc2c(cc1OC)CN([C@@H](C)C(=O)Nc1cccc3ncccc13)CC2 30674915 KHDXZWPXMTUKDO-HNNXBMFYSA-N 391.471 3.637 0 40 GHAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(OC)c(OC)c1 101084920 CJTANDSZEJPAPN-VFNWGFHPSA-N 384.432 3.872 0 40 GHAB CCOC(=O)[C@]1(CCC(C)C)C[C@H](CSc2nc3ccccc3[nH]2)OC1=O 849613 TUQCHRGLROOUSM-VLIAUNLRSA-N 390.505 3.956 0 40 GHAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cccnc1 901835 VMOUWTLLSIRJEP-UHFFFAOYSA-N 380.351 3.881 0 40 GHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccc(F)cc2Cl)nn1 32103694 AEJLNYHKRLPPQF-LBPRGKRZSA-N 387.802 3.895 0 40 GHAB COC(=O)CCc1c(Cc2ccc[nH]2)[nH]c(C(=O)OCc2ccccc2)c1C 1643285 WZLMHSMRIDNPFX-UHFFFAOYSA-N 380.444 3.705 0 40 GHAB NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 3477923 UWQHMCBLAHZUJG-UHFFFAOYSA-N 383.864 3.646 0 40 GHAB COc1ccc(NC(=O)c2c(-c3cccs3)nnn2CSC)cc1OC 32611796 DIWHAUAATONVDJ-UHFFFAOYSA-N 390.490 3.597 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 6205037 PXKZCNXOTXMTGL-NSHDSACASA-N 387.288 3.607 0 40 GHAB Cc1cc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)ccc1Br 6236055 VNQDGPAGXKXUJZ-UHFFFAOYSA-N 393.262 3.613 0 40 GHAB Cc1sc2nc(SCC(=O)Nc3ccc(Cl)cc3)n(C)c(=O)c2c1C 6527607 LZZHYSPGKXUKQX-UHFFFAOYSA-N 393.921 3.996 0 40 GHAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCCCCC1 7406932 CWWCWQCSSXGYOC-UHFFFAOYSA-N 398.956 3.533 0 40 GHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1cccs1 7881645 HJHHFBADLNHOEF-SNVBAGLBSA-N 398.267 3.834 0 40 GHAB COc1ccc(C[C@H](NC(=O)Cn2nc(C)cc2C)c2ccc(OC)cc2)cc1 32836790 QOTQDWVLMHDAIT-QFIPXVFZSA-N 393.487 3.617 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 8497583 FTCQFRYKWCLXCU-CQSZACIVSA-N 387.432 3.513 0 40 GHAB Cc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)c(C)n1Cc1ccco1 22009718 BZYDYUPFNMYHNZ-UHFFFAOYSA-N 391.515 3.747 0 40 GHAB O=C(NCCN(Cc1ccc(F)c(F)c1)Cc1ccccn1)c1cccs1 57797329 DOXHEGWAHWWJQJ-UHFFFAOYSA-N 387.455 3.854 0 40 GHAB O=C(CNc1ccccc1Cl)Nc1cc2c(cc1Br)OCCO2 22356090 NRFLXAQUUGILHB-UHFFFAOYSA-N 397.656 3.924 0 40 GHAB O=C(NCc1ccccc1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 3134475 BXMVAPPKEXNYOF-UHFFFAOYSA-N 386.373 3.845 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccco2)cc1 27663303 MKJLVZHNNCIHJA-GOSISDBHSA-N 389.411 3.584 0 40 GHAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)NC[C@@H]3CCCO3)s2)cc1C 10212291 DKGTXIYEIRULLT-ZFWWWQNUSA-N 392.550 3.674 0 40 GHAB O=C(Nc1cc(F)cc(N2CCCC2)c1)C1CCN(C(=O)c2ccoc2)CC1 58245755 QLWMZPOFZCKYQU-UHFFFAOYSA-N 385.439 3.510 0 40 GHAB CCOc1ccc(CN(C)C(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1 24615109 QJMGUYVPKGRVAV-UHFFFAOYSA-N 375.852 3.711 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 12521372 HOZMDKNNTLRIDG-GJZGRUSLSA-N 390.480 3.745 0 40 GHAB CCOC(=O)N1CCC(NC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)CC1 28433985 ZEOZBXYTJBIXDI-BQYQJAHWSA-N 387.867 3.639 0 40 GHAB C[C@@H](c1ccccc1)N(C)C(=O)CS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 58934848 CNDWEJNXCLHFNA-AWEZNQCLSA-N 399.434 3.840 0 40 GHAB O=C(O)c1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1 2402450 MLVCHXCLGWMRSV-UHFFFAOYSA-N 376.441 3.865 0 40 GHAB Cn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccnc1 2403960 JDGGWGKCDCHSAI-UHFFFAOYSA-N 381.505 3.905 0 40 GHAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)COc3cccc(F)c3)n2)C1 12780731 XIIWZYZDMHRBJK-OKILXGFUSA-N 377.485 3.778 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)c1 12756695 PDHDCPPSSQHGOU-LJQANCHMSA-N 386.517 3.712 0 40 GHAB Cc1nc(-c2ccc(CCNC(=O)[C@@H]3COc4ccccc4O3)cc2)cs1 12729017 JFFIMMYNMPOJFH-FQEVSTJZSA-N 380.469 3.617 0 40 GHAB COc1cc(C(=O)Nc2nnc(C(C)C)s2)cc(OC)c1Br 12782899 XXCDWXVXIMMXHQ-UHFFFAOYSA-N 386.271 3.694 0 40 GHAB Cc1cccc(NC(=O)CN2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)c1C 12750269 FPRNYXXMCAVXNP-IBGZPJMESA-N 393.531 3.580 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1ccc(Cl)cc1Cl 12791845 CCNPJJMBSBNQIP-KRWDZBQOSA-N 377.271 3.613 0 40 GHAB COc1ccc(OC2CCN(Cn3c(=O)oc4cc(Cl)ccc43)CC2)cc1 48288040 AZAWUQMCHIJORJ-UHFFFAOYSA-N 388.851 3.757 0 40 GHAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1C 48375310 MBUSNNHTXKCMHG-UHFFFAOYSA-N 383.473 3.866 0 40 GHAB CC(C)CN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 12811395 DQWJMRKPQKPXDT-CWDCEQMOSA-N 390.332 3.678 0 40 GHAB CN(C)[C@@H](CNC(=O)c1cc(F)ccc1Br)c1cccc(F)c1 12822228 BGXLRWRBVVQSPC-INIZCTEOSA-N 383.236 3.760 0 40 GHAB COc1ccc(Nc2nnc(SCC(=O)NC3CCCCC3)s2)cc1 3478375 WHWBZAYAHFDSDE-UHFFFAOYSA-N 378.523 3.831 0 40 GHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1cccc(Br)c1 3550411 XQNVPVDNHVRQPD-UHFFFAOYSA-N 389.278 3.965 0 40 GHAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc2c(c1)CCCC2 12943359 UIQSQXZSNIEVED-LJQANCHMSA-N 378.472 3.727 0 40 GHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1ccccc1 12974709 MLEHTBKRUGGVBO-UHFFFAOYSA-N 383.879 3.948 0 40 GHAB O=C(Cc1cccs1)N[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 3614755 PXJQCVILVJWXSI-FQEVSTJZSA-N 394.452 3.516 0 40 GHAB C[C@@H]1CCC[C@H](N2C[C@@H](C(=O)Nc3nc(-c4ccccn4)cs3)CC2=O)[C@@H]1C 13101125 RGUMMTYQNLGLIP-BSXFFOKHSA-N 398.532 3.817 0 40 GHAB Cc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)c2nc3n(c2n1)CCCCC3 63819200 FSJLBYFQLORYBO-UHFFFAOYSA-N 378.480 3.806 0 40 GHAB COc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2N)cc1OC 5082055 ULCYQDSUIKZDRR-UHFFFAOYSA-N 394.859 3.761 0 40 GHAB O=C(CSc1nnnn1-c1ccc2ccccc2c1)Nc1cccc(F)c1 5015359 DSUJZUIJVUHNFV-UHFFFAOYSA-N 379.420 3.685 0 40 GHAB CC1(C)CC(C)(C)N(C(=S)NCCCN2CCOCC2)Cc2ccccc21 13726904 SVDPLTOOPKPHAH-UHFFFAOYSA-N 389.609 3.545 0 40 GHAB O=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccc2c(c1)CCC2 6112473 SSRKPVPOZPPZRK-UHFFFAOYSA-N 383.245 3.531 0 40 GHAB COc1ccc(C)cc1NS(=O)(=O)c1c(F)cc(F)cc1Br 6317024 WMDYRVMZGFGISL-UHFFFAOYSA-N 392.221 3.845 0 40 GHAB CCn1ncc2c(C(=O)OCC(=O)c3ccco3)cc(-c3ccccc3)nc21 14199697 MJYVFMCKZBPARO-UHFFFAOYSA-N 375.384 3.751 0 40 GHAB O=C(Cc1ccccc1)C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 4554662 DBQVDTTYONMUPU-VWLOTQADSA-N 385.463 3.665 0 40 GHAB COc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c(OC)c1 14264004 BAIUCJSKWYTQDH-UHFFFAOYSA-N 381.432 3.700 0 40 GHAB CCOC(=O)c1ccc(Cl)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 4659784 YMWBRFQXPMLSMX-UHFFFAOYSA-N 393.823 3.795 0 40 GHAB COc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1NC(=O)c1ccco1 4689871 HQPCOGUFTWAQEX-UHFFFAOYSA-N 377.611 3.849 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 4610533 FTONCNMPVGFBOY-GOSISDBHSA-N 394.471 3.862 0 40 GHAB COc1ccc(-c2nnc(NC(=O)CSc3ccccc3)s2)cc1OC 5500933 FUMINGBKTDGGRW-UHFFFAOYSA-N 387.486 3.953 0 40 GHAB aggregator COc1ccc([C@@H](NC(=O)CSc2nncn2C(C)C)c2ccccc2)cc1 6851102 HRVGMGCHEIFVKV-FQEVSTJZSA-N 396.516 3.866 0 40 GHAB C[C@@H]1CCc2[nH]/c(=N/C(=O)CN3CCC(Cc4ccccc4)CC3)sc2C1 6851972 ZOOWQPAMZIZYIE-MRXNPFEDSA-N 383.561 3.583 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccc(C(C)(C)C)cc2)c2ccccc21 4987811 MGBHPVPDSXCZSX-QHCPKHFHSA-N 381.472 3.576 0 40 GHAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1 5966352 JPNGYJJAORCCTF-QWHCGFSZSA-N 397.456 3.823 0 40 GHAB CC[C@H](C)n1c(SCC(=O)N(C)c2ccccc2)nc2cc(C)[nH]c2c1=O 67238919 SWSNVCORCPAYFZ-AWEZNQCLSA-N 384.505 3.759 0 40 GHAB O=C(c1c[nH]c(C(=O)N2CCN(Cc3ccccc3)CC2)c1)C1CCCCC1 20218613 RGVGBGYBRWUYHC-UHFFFAOYSA-N 379.504 3.736 0 40 GHAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)ccc21 20215008 AJPYQWZBMRZCIA-UHFFFAOYSA-N 393.896 3.605 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 7719290 BAVIOUNUNJEIIV-KRWDZBQOSA-N 388.467 3.969 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)cc1F 7765444 BYJILBPGBIJIGY-UHFFFAOYSA-N 394.443 3.782 0 40 GHAB Oc1ccc(-n2nnnc2SCc2csc(Nc3ccccc3)n2)cc1 9322266 OWCNDGMEJCJDLI-UHFFFAOYSA-N 382.474 3.860 0 40 GHAB O=C(CSc1n[nH]c(-c2ccccn2)n1)Nc1ccc(Cl)c(Cl)c1 408583092 RNBVXBAJNPGGTG-UHFFFAOYSA-N 380.260 3.904 0 40 GHAB COCCCOc1cccc(CNC(=O)COCc2ccccc2Cl)c1 97020858 GFDQZGSLDHIFCG-UHFFFAOYSA-N 377.868 3.588 0 40 GHAB Cc1nc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)ccc1Br 72305646 BVDSDNBIDBSERX-ZDUSSCGKSA-N 388.265 3.682 0 40 GHAB O=C1CSc2ccc(C(=O)N3CCCc4cccc(OC(F)F)c43)cc2N1 95369542 WVLYDCUWKSYHJL-UHFFFAOYSA-N 390.411 3.925 0 40 GHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](C1CCCCC1)SCC(O)=N2 79488166 NFGTZAPBENLOEK-XJKSGUPXSA-N 383.539 3.507 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)cc1OC 28305789 UUKJRQAVZSJYFI-HNNXBMFYSA-N 386.473 3.534 0 40 GHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCc1ccc(OC)c(OC)c1 408678347 FXSVQKMWJIMROX-QGZVFWFLSA-N 377.868 3.874 0 40 GHAB Cc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1 408561724 KNPCGRSOUCCAPV-UHFFFAOYSA-N 378.428 3.844 0 40 GHAB CCC(CC)(NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(Cl)cc1 60376153 IGMRSTBTWDQSAF-LBPRGKRZSA-N 390.833 3.882 0 40 GHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1ccc(OC)cc1 32866819 WDQLYCKWFUWFNX-HNNXBMFYSA-N 386.517 3.835 0 40 GHAB O=C(Nc1ccc(OCCN2CCCC2)cc1)c1cnc(O)c2ccccc12 524734646 XVTJBLXQOFTXMP-UHFFFAOYSA-N 377.444 3.667 0 40 GHAB CCn1ncc(-c2cc(C(F)F)nc(NCCCn3ccc(C)n3)n2)c1C 36613876 KCADTGIXBBJNHF-UHFFFAOYSA-N 375.427 3.613 0 40 GHAB CNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CC2)CC1 72345112 UZMTTXWTQUBXRF-UHFFFAOYSA-N 394.490 3.800 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=O)CSc1ccc(OC)c(OC)c1 30864234 JMRHYGWRXVFDAP-INIZCTEOSA-N 380.554 3.567 0 40 GHAB CC(C)CC(=O)N[C@H](c1nccs1)C1CCC(CNC2CCOCC2)CC1 72373172 ZJSRVIIBLJLJOM-UHYCVJNDSA-N 393.597 3.922 0 40 GHAB CSc1nc(C)c(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)n1 8243336 WZEKIWQWBGHMCR-UHFFFAOYSA-N 384.505 3.513 0 40 GHAB COc1ccc(C[C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccnc(C)n2)cc1 72348198 RCPXHLIOHZPTAJ-VJBWXMMDSA-N 381.520 3.532 0 40 GHAB COc1ccc(-c2ccc(C(=O)O)o2)cc1NS(=O)(=O)c1ccc(C)cc1 226353097 DTPPCZQHXRMPOE-UHFFFAOYSA-N 387.413 3.763 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 222518498 WUSKNWKYHBKPBL-CQSZACIVSA-N 394.924 3.844 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 222490480 LNOLEOCPKNIUBT-CQSZACIVSA-N 376.909 3.595 0 40 GHAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NC[C@@H]1COc2ccccc2O1 225279909 RWVLVUPRHWOOCF-NVXWUHKLSA-N 375.852 3.762 0 40 GHAB CCOc1cccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)c1 225649434 MYVRUOCLUHESEF-UHFFFAOYSA-N 383.517 3.694 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)c1C 225454456 LNJMFNBKJGLRBV-UHFFFAOYSA-N 394.500 3.844 0 40 GHAB O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(Cc1ccc(OC(F)(F)F)cc1)C2 225479459 IPPRNXJMITYVHY-HOCLYGCPSA-N 378.350 3.559 0 40 GHAB biogenic,in-vitro O=C(c1cc(-c2cccs2)on1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 77197732 LFOXRMUUMJVIEV-UHFFFAOYSA-N 398.366 3.825 0 40 GHAB CC[C@H](NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1C 222465134 ODCIUNVGDSSKIA-IBGZPJMESA-N 388.533 3.889 0 40 GHAB COc1cccc(-c2nc3c(s2)N(C(C)C)[C@H](C(=O)N2CCCCC2)C3)c1 96146768 OTEWBHIEOUXYDA-SFHVURJKSA-N 385.533 3.971 0 40 GHAB COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)COC(C)C)C3)c2)c1 257211177 BXTWUPJULDHBOT-QGZVFWFLSA-N 383.492 3.883 0 40 GHAB COC1CCN(c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)CC1 253397937 GGWVGRWFBHOMNZ-UHFFFAOYSA-N 377.488 3.756 0 40 GHAB O=C(/C=C\c1ccc2c(c1)OCO2)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 253473425 UVZITCIWFLKAID-KXQLTZBTSA-N 395.440 3.556 0 40 GHAB CCCN1CCN(C(=O)C2CCC2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 257320231 VVWHMRJWXODOLP-JOCHJYFZSA-N 391.515 3.541 0 40 GHAB O=C1C[C@H](C(=O)N2Cc3ccccc3-c3ccccc32)CN1Cc1ccccn1 614705072 CVAAJWSVPVBDQT-SFHVURJKSA-N 383.451 3.644 0 40 GHAB COc1cc(CNC(=O)N2CCO[C@@](C)(C3CC3)C2)ccc1OC1CCCC1 1616044015 FMAVIBNBEDLMRS-JOCHJYFZSA-N 388.508 3.727 0 40 GHAB CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cc2c(s1)CCNC2 662546192 UWJNJRBOTFKJID-UHFFFAOYSA-N 384.423 3.564 0 40 GHAB O=C1CC[C@@]2(CCCN(Cc3ccc4c(c3)CCC4)CC2)N1C[C@@H]1CCCO1 585099816 CLQKNKRDZVNVIB-LADGPHEKSA-N 382.548 3.701 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2ccccn2)C1=O)Nc1ccc(F)c(Cl)c1 7099714 RMHRAVMYXCZNRW-ZSOIEALJSA-N 391.811 3.549 0 40 GHAB C[C@@H](OC(=O)CSc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cn1 5268298 PTDHPFBWUHFFIW-GFCCVEGCSA-N 390.892 3.886 0 40 GHAB O=C(NCc1nc(-c2ccncc2)n[nH]1)Nc1ccc(Cl)c(C(F)(F)F)c1 5001912 FHHBSJKNXRXEPQ-UHFFFAOYSA-N 396.760 3.861 0 40 GHAB O=C(OCc1cc(=O)n2ccsc2n1)C(c1ccccc1)c1ccccc1 5611798 SZKGTPKGZGTMGP-UHFFFAOYSA-N 376.437 3.631 0 40 GHAB Cc1c(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)oc2c(C)cccc12 12203479 VPNXPVXUVATUAF-UHFFFAOYSA-N 378.428 3.774 0 40 GHAB CN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1ccc(Cl)cc1 12655027 SVQLRJYFTROYER-UHFFFAOYSA-N 398.271 3.864 0 40 GHAB CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CN1CCN(c2ccccc2F)CC1 13323400 GNGPXKGYLHKYIT-PKOBYXMFSA-N 375.532 3.669 0 40 GHAB CCc1ccccc1NC(=O)Cn1cc(-c2ccc(OC)cc2)[n+]2c1CCC2 13787277 QEHPLWDIFWOAGN-UHFFFAOYSA-O 376.480 3.599 0 40 GHAB Cc1ccc2c(=O)cc(CSCC(=O)Nc3nnc(C(C)C)s3)[nH]c2c1 15865284 BFUALOVWTJGOTN-UHFFFAOYSA-N 388.518 3.683 0 40 GHAB Cc1ccc([C@@H](NC(=O)c2cc(C(F)(F)F)nn2C)c2ccncc2)cc1C 19213601 PKAANASGVCOBOS-SFHVURJKSA-N 388.393 3.970 0 40 GHAB CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(OCC)c(OC)c1)C2O 19326271 WXHSNHWPOBQUFQ-UHFFFAOYSA-N 388.552 3.671 0 40 GHAB O=C(NCc1ccccc1F)c1cc(C2CCN(C(=O)C3CCCC3)CC2)no1 19349504 TYXCPGLFQMXIQP-UHFFFAOYSA-N 399.466 3.640 0 40 GHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CC2)C1 19579644 RPFGKKNEKXMENH-QFIPXVFZSA-N 382.529 3.675 0 40 GHAB COc1ccc(CC(=O)N2CCCCC[C@H]3N[C@H](Cc4ccccc4)C[C@@H]32)cc1 19712949 VBXNFVVABSVFKL-JRFVFWCSSA-N 392.543 3.982 0 40 GHAB Cc1cc(C)c(OCC(=O)N2N=C3CC[C@H](C)C[C@@H]3[C@@]2(O)C(F)(F)F)c(C)c1 169692589 WSDOIVIDDHNPSL-SGJUXQJHSA-N 398.425 3.876 0 40 GHAB Cc1ccc(CC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)cc1 12255557 TXJVGIUQUCVXID-LJQANCHMSA-N 387.483 3.591 0 40 GHAB CC(C)c1nccn1CCC(=O)N1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21 19454475 BUDMVOVVYDKVTJ-MQSCRBSSSA-N 394.563 3.923 0 40 GHAB Cc1cc(OCCCC(=O)OCC(=O)c2ccc3c(c2)OCO3)ccc1Cl 7979219 UHLLITHMZFLYMO-UHFFFAOYSA-N 390.819 3.962 0 40 GHAB O=C1COc2ccccc2CCCC[C@H]2CN(Cc3ccccc3F)CC[C@H]2N1 2037844518 VISBZYHSXKEUNU-RBBKRZOGSA-N 396.506 3.938 0 40 GHAB COC(=O)c1ccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)cc1 5270037 CIYOVCKDLNPIID-UHFFFAOYSA-N 390.439 3.552 0 40 GHAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1 9624760 MINYMBCAURZBSR-UHFFFAOYSA-N 393.534 3.739 0 40 GHAB CCN(CC)CCN(C(=O)c1cc(C)on1)c1nc2c(F)cccc2s1 12229549 WKZIWJNAPOPLMY-UHFFFAOYSA-N 376.457 3.720 0 40 GHAB COc1cc(Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc(C)n1 12226091 XPOCFHFZSJQVEC-UHFFFAOYSA-N 384.461 3.646 0 40 GHAB Cc1ccc(CNC(=O)Cn2c(C)nc3c(sc4ccccc43)c2=O)cc1 16841605 GIXMYMZVXBRGTE-UHFFFAOYSA-N 377.469 3.544 0 40 GHAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc21 17316318 NXQQXBRUXDQMJB-UHFFFAOYSA-N 378.881 3.695 0 40 GHAB O=C(CCc1ccccc1Cl)N[C@@H]1CCc2onc(CN3CCCC3)c2C1 2055739274 PKWNMIZFWSZMDS-MRXNPFEDSA-N 387.911 3.530 0 40 GHAB CC(C)n1cnc(S(=O)(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)c1 207002031 VSXZTFMVBAOVHI-MRXNPFEDSA-N 399.969 3.986 0 40 GHAB Cc1ccc(N2C(=O)N(Cc3ccc(F)cc3)S(=O)(=O)c3cccnc32)cc1 49420917 FHXDNKJTSRXONE-UHFFFAOYSA-N 397.431 3.992 0 40 GHAB Cc1noc(C)c1CSCC(=O)Nc1cc(N2CCCC2=O)ccc1Cl 40090716 QPUSJLIVZIDMRS-UHFFFAOYSA-N 393.896 3.944 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)N2CCN(Cc3ccsc3)CC2)n1 40104885 ZVGIEMCJFQZRCD-UHFFFAOYSA-N 395.532 3.900 0 40 GHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1cc(F)cc2cccnc12 31607042 WDEKOGCOZCNLOH-QFIPXVFZSA-N 375.403 3.658 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1cccc(OC(C)C)c1)CC(O)=N2 31819254 MTVISCRGMJIMHD-OAHLLOKOSA-N 379.420 3.587 0 40 GHAB Cc1cccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 31999025 PEFAFUFRAGEFEP-IBGZPJMESA-N 392.421 3.817 0 40 GHAB O=C(NCc1cccc(OC(F)F)c1)c1ccc2c(O)[nH]c(=S)nc2c1 51439617 FVBSARWRWVPIRS-UHFFFAOYSA-N 377.372 3.529 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccccc2C)n1C 933575 ONDGGYBWMJCQQA-UHFFFAOYSA-N 396.516 3.996 0 40 GHAB CSc1n[nH]c(N2[C@@H](O)C(O)=C(c3ccccc3)[C@H]2c2ccc(C)cc2)n1 101353763 UIHODZHMOFGMHW-AEFFLSMTSA-N 380.473 3.684 0 40 GHAB COc1ccc(O[C@H](C)C(=O)N(C)Cc2ccc(Br)s2)cc1 11699466 IFWRLARHGGLOPK-LLVKDONJSA-N 384.295 3.945 0 40 GHAB COc1ccc2c(c1)[C@]1(Nc3ccccc3C(=O)N1CCc1ccccc1)C(=O)N2 3671110 LIAGRNXLYMHUBD-XMMPIXPASA-N 399.450 3.611 0 40 GHAB COc1ccc([C@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)c(OC)c1 4944713 JAHKFOMHYOVKSM-MRXNPFEDSA-N 399.830 3.689 0 40 GHAB CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)c(OC)c1)N1CCCCCC1 4968377 AFPOJMPPYPABFX-IBGZPJMESA-N 387.528 3.801 0 40 GHAB O=C(NCc1ccccc1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 6080092 JBJDSIBUMHSSLZ-UHFFFAOYSA-N 398.466 3.835 0 40 GHAB COc1cc(OC)cc(-c2nc(SCC(=O)Nc3cc(C)ccc3C)n[nH]2)c1 8302087 QOGHAMOTJNFYHS-UHFFFAOYSA-N 398.488 3.837 0 40 GHAB CC(C)NC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(C2CCCCC2)nn1C 8635309 ISTPNCSUOFBTJM-OTWHNJEPSA-N 388.556 3.780 0 40 GHAB biogenic,in-vitro C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 8677008 SPCFVFCHUAJQBI-LLVKDONJSA-N 393.447 3.715 0 40 GHAB COc1cc(C(C)=O)ccc1OCc1nnc(-c2ccc(Br)o2)o1 8745235 BBAPVOCDYBJHNA-UHFFFAOYSA-N 393.193 3.882 0 40 GHAB CCCC(=O)N1[C@@H]2CC[C@@H]1c1cnc3cc(-c4ccccc4OC)nn3c1C2 100724627 DQJJMRYBRHSOFA-RDTXWAMCSA-N 376.460 3.793 0 40 GHAB COc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)no2)cc1 21805473 SHFJDMVLMQBZHZ-SFHVURJKSA-N 397.500 3.979 0 40 GHAB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1ccc(OC[C@@H]2CCCO2)cc1 21977370 RTYGQJPMNPLKON-INIZCTEOSA-N 390.819 3.984 0 40 GHAB COc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1OC(=O)C(C)C 2753016 NDVVKZVNLDXCAF-CXUHLZMHSA-N 383.375 3.740 0 40 GHAB CCn1cc(C(=O)Nc2cc(Cl)ccc2OC)c(=O)c2cc(OC)ccc21 22235856 PPVGOTRUIMUSLS-UHFFFAOYSA-N 386.835 3.944 0 40 GHAB CC(C)NC(=O)[C@H](C)OC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 8363293 GAELIYHZDYSTHN-HNNXBMFYSA-N 397.500 3.730 0 40 GHAB c1ccn2cc(COc3ccc(CNC4CCN(C5CC5)CC4)cc3)nc2c1 22820929 MJFXNVZOHTWYRJ-UHFFFAOYSA-N 376.504 3.630 0 40 GHAB O=C1OC(c2ccccc2)=N/C1=C\Nc1ccc(I)cc1 100419161 KSPFDQRMAJUKFI-UVTDQMKNSA-N 390.180 3.548 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)CC1 46895126 XUWRFJMHGWJOBJ-UHFFFAOYSA-N 384.524 3.733 0 40 GHAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nc(-c3ccccc3Cl)cs1)CS2 23681589 KFVPIBQIOPWUEY-SUMWQHHRSA-N 393.921 3.856 0 40 GHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1OC 12416168 WCECELIBPAGHNO-HNNXBMFYSA-N 379.416 3.583 0 40 GHAB COC(=O)C[C@@H]1COc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 1384143 PQERKUUXYXXLBT-CQSZACIVSA-N 379.334 3.676 0 40 GHAB COc1ccccc1N1CCN(CC(=O)Nc2cccc3ccccc23)CC1 55376570 MBVPRMYKKRBTPQ-UHFFFAOYSA-N 375.472 3.609 0 40 GHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cc2sc(N(C)C)nc2s1 106755180 BGAATJCVERMHRA-GRYCIOLGSA-N 395.550 3.522 0 40 GHAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccc3oc4ccccc4c3c2)cc1 12584500 GFPKZPQJPXNBCU-UHFFFAOYSA-N 380.425 3.746 0 40 GHAB CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 47946194 BOIQIPQRXFRXPS-IBGZPJMESA-N 382.464 3.651 0 40 GHAB C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@H](CO)Cc1ccc(Cl)cc1 78995311 BPRUSJXLFFCTKB-HIFRSBDPSA-N 382.287 3.728 0 40 GHAB CC(C)[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 58158153 JDFSQLACKUZNMD-PKOBYXMFSA-N 386.448 3.691 0 40 GHAB CCO[C@H]1C[C@H](NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)C12CCCC2 78935336 PSVPGVKTZKPAJD-ROUUACIJSA-N 391.943 3.805 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCOc3c(Cl)cccc32)C1 58168734 ZEOGDKNJZSFTIY-CZUORRHYSA-N 378.900 3.565 0 40 GHAB NC(=O)N[C@H](CC(=O)Nc1nccs1)c1cccc(Oc2ccccc2)c1 8393210 AJKVJKASHIVSSM-MRXNPFEDSA-N 382.445 3.674 0 40 GHAB CCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)O 2105225 SZRSGMNZASYNOF-KRWDZBQOSA-N 399.443 3.767 0 40 GHAB biogenic O=C(NCc1ccc(F)cc1)c1cc2cc(Br)ccc2oc1=O 3366637 QULVZSSPJQNFOC-UHFFFAOYSA-N 376.181 3.625 0 40 GHAB COc1cc(CNCCCn2ccnc2)ccc1OCc1ccc(Cl)nc1 10314091 UXERNTHUTUPMGA-UHFFFAOYSA-N 386.883 3.699 0 40 GHAB CC(=O)N[C@@H](C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)C(C)C 12738154 MXHQJFXNHGHGQY-OAHLLOKOSA-N 399.438 3.852 0 40 GHAB CN(C)c1cccc(-c2cn3c(COc4ccc5c(c4)OCO5)nnc3s2)c1 45221622 WZTZDKBGHQTDLK-UHFFFAOYSA-N 394.456 3.832 0 40 GHAB COc1ccc([C@H]2CC(=O)n3nc(-c4ccc(F)cc4)nc3S2)cc1OC 2347125 WXSKMZPLPNVNCI-MRXNPFEDSA-N 385.420 3.979 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccc(Cl)c2Cl)c1C 11029753 RCDPSVXFRFYCGM-UHFFFAOYSA-N 384.215 3.765 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1nc2ccccc2s1 48287256 TWLHGCUTZRDZMB-GOSISDBHSA-N 377.469 3.877 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC 12817577 MCCGEQBYWPOQJL-INIZCTEOSA-N 381.881 3.883 0 40 GHAB CSc1nc2nc(C)c(CC(=O)Nc3cccc(Cl)c3Cl)c(C)n2n1 12879006 JIMVJBDHFMTVLK-UHFFFAOYSA-N 396.303 3.951 0 40 GHAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccccc2Br)C1=O 12862541 PIRCOURLIJXVLR-LBPRGKRZSA-N 389.249 3.592 0 40 GHAB Cc1cc(C)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1 17078681 OZWOOOROWCBYDS-UHFFFAOYSA-N 385.445 3.653 0 40 GHAB CCc1ccccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12971733 XNAUDRQHBRWKRZ-UHFFFAOYSA-N 381.501 3.928 0 40 GHAB CC(C)[C@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2 12910863 KBXHSMBKKPBORM-QFIPXVFZSA-N 398.459 3.502 0 40 GHAB Cc1cc(C)cc(-n2nnnc2S[C@H](C(=O)N2CCCC2)c2ccccc2)c1 13165306 QXXQWDQWTJEHMK-IBGZPJMESA-N 393.516 3.735 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1 17167071 PZVUZDZSERECKH-IAGOWNOFSA-N 375.472 3.563 0 40 GHAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(CCCn1ccnc1)C3 38777277 CYTXEPDXMGKLHS-UHFFFAOYSA-N 399.878 3.764 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(NC(=O)c2ccccc2)c1 408556362 IBXBCGGUWKSVJE-OAHLLOKOSA-N 390.505 3.805 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@H]1CCCc2ccccc21 6077456 RNORBWOPYHWHMH-HNNXBMFYSA-N 384.785 3.714 0 40 GHAB CC[C@H]1CCc2c(sc(NC(=O)c3cc(OC)cc(OC)c3)c2C(N)=O)C1 6122339 CLKQRMWJLYZAPF-NSHDSACASA-N 388.489 3.631 0 40 GHAB C[C@H]1CC(=O)c2c(OCC(=O)Nc3ccccc3N3CCCC3=O)ccc(F)c21 8735370 VMNJGGUAAWQTST-ZDUSSCGKSA-N 396.418 3.660 0 40 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CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1cccc2ccccc12 10333786 VCWVQGWSWRSTQO-FQEVSTJZSA-N 395.890 3.851 0 40 GHAB Cc1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 10812202 DHTNPNPPGHFWDX-CQSZACIVSA-N 398.937 3.892 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CC2 13695270 IDZVBOQCRKIXCX-UHFFFAOYSA-N 382.460 3.891 0 40 GHAB O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)NCC1CCCCC1 17149662 PIXIYYDMDLBFJU-UHFFFAOYSA-N 378.542 3.836 0 40 GHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@H](Oc2ccncn2)C1 575610999 RIEMQTHJPRJWLW-KRWDZBQOSA-N 386.411 3.578 0 40 GHAB Cc1cc(-c2noc(CNC(=O)C3c4ccccc4Oc4ccccc43)n2)no1 225812405 FFJSAMQYFHIAJI-UHFFFAOYSA-N 388.383 3.587 0 40 GHAB O=C(c1cc(Br)cs1)N1CC[C@H](Oc2ccncc2Cl)C1 575605570 LAOKXPWYRMGFCP-JTQLQIEISA-N 387.686 3.853 0 40 GHAB Cc1ccc(-c2noc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)n2)cc1 16841951 AWCCXHMBNPNIPR-UHFFFAOYSA-N 383.411 3.570 0 40 GHAB CCn1c(C)cc(C(=O)CS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1C 40070028 GYTZTLKKMDBLRQ-UHFFFAOYSA-N 387.423 3.941 0 40 GHAB CC(=O)c1c[nH]c(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)c1 40108135 KXSIDEGRNKTAKN-HXUWFJFHSA-N 393.512 3.808 0 40 GHAB Cc1cc(C)n(CCSc2nc(-c3ccccc3Br)n[nH]2)n1 68043909 PPYKJCSHWJHHMI-UHFFFAOYSA-N 378.299 3.840 0 40 GHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2F)C12CCCC2 32097287 NDFHBBRMAPUZPI-HXUWFJFHSA-N 396.462 3.963 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c1C 3480170 PUMLGHGXWWQUDE-UHFFFAOYSA-N 397.431 3.578 0 40 GHAB COc1cccc(C2=NN(C(=O)c3ccccc3Cl)[C@@](O)(C(F)(F)F)C2)c1 4009340 CEOKYKDZPQCQMT-KRWDZBQOSA-N 398.768 3.850 0 40 GHAB CCN1CCN(c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)CC1 6517637 UJRXZIJMDFPHKR-UHFFFAOYSA-N 381.520 3.969 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 6958835 ODNBUMRJIAKGHQ-INIZCTEOSA-N 393.516 3.822 0 40 GHAB COC(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 7033459 RNNZTABIJNIXOJ-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB CCOc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1Br 7603507 XNVXTGMFBPQWDR-GHXNOFRVSA-N 385.239 3.757 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 7683716 ABDRWKNBBUOGCM-GOSISDBHSA-N 392.908 3.749 0 40 GHAB CCOC(=O)Nc1cccc(C(=O)OCc2c(Cl)nc3sccn23)c1 52167139 ABDGVAHNDLKMDT-UHFFFAOYSA-N 379.825 3.975 0 40 GHAB COC(=O)c1ccoc1COC(=O)c1ccccc1C(=O)c1ccc(C)cc1 32895923 NNFUHSYLFQUOPF-UHFFFAOYSA-N 378.380 3.963 0 40 GHAB C[C@H]1CCc2c(sc3ncn4nc(-c5ccc(Cn6cccn6)o5)nc4c23)C1 2789575 QZWCHHZDNPBZBN-LBPRGKRZSA-N 390.472 3.969 0 40 GHAB CCC(CC)[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccccc1 32916481 UBHYHLRVFXZHLO-LJQANCHMSA-N 388.489 3.587 0 40 GHAB O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1cc2c(s1)CCCCC2 32912120 LSRXIPGKAOURQX-UHFFFAOYSA-N 379.485 3.925 0 40 GHAB COc1cccc(NC(=O)C2CCN(c3nc4ccccc4nc3OC)CC2)c1 33088263 FIMGVHDRHKJXRR-UHFFFAOYSA-N 392.459 3.502 0 40 GHAB COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1 59502211 RTIIHHJUYVTPMA-UHFFFAOYSA-N 386.407 3.596 0 40 GHAB CCOC(=O)C1=C(CSC2CCCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 21978958 UOGYMAFQHGYBQW-GOSISDBHSA-N 390.505 3.542 0 40 GHAB CCCN(CCC)CN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 33291608 OUVRNDHPRODTMQ-ATVHPVEESA-N 378.494 3.820 0 40 GHAB C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 57136963 KBOQISMLELHQDA-KRWDZBQOSA-N 380.488 3.547 0 40 GHAB Cn1ncc2c(NCc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)ncnc21 12486600 JWIKAOADHXIJAV-UHFFFAOYSA-N 399.433 3.967 0 40 GHAB C[C@@H]1[C@@H](NC(=O)NC(=O)CSc2nnc(C3CCCCC3)o2)CCC[C@H]1C 103441461 XVDIXAWAPLOGJG-IPYPFGDCSA-N 394.541 3.860 0 40 GHAB COc1cc(CN(C)S(=O)(=O)c2ccc(Cl)s2)ccc1OC(F)F 22458735 AHCQSFNOGJHSNV-UHFFFAOYSA-N 397.852 3.832 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Nc2c(C(C)C)n(C)n(-c3ccccc3)c2=O)c1 22835100 RTNDASXGCPCUPY-UHFFFAOYSA-N 399.516 3.717 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 825978 PBZSLXUKFLGNGK-HXUWFJFHSA-N 380.444 3.845 0 40 GHAB Fc1ccccc1CN1CCN(Cn2nc(-c3cccs3)[nH]c2=S)CC1 23254227 CICZQCJRZUJQCF-UHFFFAOYSA-N 389.525 3.584 0 40 GHAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc(Cl)c2ncccc12 12528191 MAKCESILTIWCQM-UHFFFAOYSA-N 381.741 3.707 0 40 GHAB CCCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)n[nH]c1=O 25539544 ZYUKNZIDDHQQAQ-UHFFFAOYSA-N 394.500 3.537 0 40 GHAB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)cc1C 28497802 KXRHWWAWFNRIDS-FNUHDPNESA-N 377.488 3.913 0 40 GHAB O=C(CNC(=O)c1ccco1)OCc1csc(-c2ccccc2Cl)n1 23550925 XJVVVLZTTYGYSO-UHFFFAOYSA-N 376.821 3.530 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCN3C(C)=O)cc1Cl 12561586 NRUSIABUSGNARC-GFCCVEGCSA-N 387.867 3.697 0 40 GHAB Cc1ccc2c(c1)[C@@H](Cc1nc3ccccc3c(=O)n1-c1ccccc1)C(=O)N2 1201082 ABPLITHNQAUUEY-LJQANCHMSA-N 381.435 3.973 0 40 GHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(N(C)C)cc1 12515323 KWADMYVHWBRFMV-UHFFFAOYSA-N 393.409 3.872 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccc(F)cc1F 103489921 OCMHPZYEMFWELX-INIZCTEOSA-N 394.830 3.721 0 40 GHAB CCN(c1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1)C(C)C 3219468 MLGJKSLAEMBVLT-UHFFFAOYSA-N 375.856 3.765 0 40 GHAB Cc1ccc(OC[C@@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 22793504 DVSFGJOJDJRJNF-NRFANRHFSA-N 388.939 3.514 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccnc1)CC2 3230488 MTQBCEDNOCNJJH-HXUWFJFHSA-N 380.469 3.948 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c(-c2cccc(F)c2)n1 57508330 RQWURHCENUHDSK-UHFFFAOYSA-N 391.446 3.739 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCN(Cc3ccsc3)CC2)c(Cl)c1 22931010 KNRRVDBWEGGZIZ-UHFFFAOYSA-N 377.941 3.775 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)c2ccccc2SC[C@H]2CCCO2)cc1 27225593 GVCPJOJIXFXBJR-QGZVFWFLSA-N 384.501 3.912 0 40 GHAB Cc1ccc(CNC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1F 10128721 GSROOSGLXOYYGG-FQEVSTJZSA-N 398.478 3.749 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(CN(Cc2ccco2)Cc2ccco2)n1 58172357 VQBDJEJBMILVQO-UHFFFAOYSA-N 390.447 3.894 0 40 GHAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(C)c(C)c1 3360969 MXLQYIUSSYCJGJ-HNNXBMFYSA-N 396.487 3.729 0 40 GHAB O=C(COC(=O)Cc1cccs1)Nc1ncc(C(F)(F)F)cc1Cl 3320614 VHJOLPUSGIVWMM-UHFFFAOYSA-N 378.759 3.540 0 40 GHAB CC(C)CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1 12790967 ZSVAOMOCRKIMCN-UHFFFAOYSA-N 382.420 3.886 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCc2sccc2[C@H]1C 12789443 KIMPLUBYDXOQCJ-OAHLLOKOSA-N 388.533 3.733 0 40 GHAB CCSc1nc2nc3c(cc2c(=O)n1-c1ccc(OC)cc1)COC(C)(C)C3 2286701 OHDJYXKSVRGPKA-UHFFFAOYSA-N 397.500 3.753 0 40 GHAB O=C(CN1C(=O)c2ccccc2C1=O)N(Cc1ccccc1)Cc1ccccc1 2308518 SDLGKALATYUYKR-UHFFFAOYSA-N 384.435 3.512 0 40 GHAB Cc1nc(-c2c[nH]c(C(=O)NCC(C)(C)c3ccc4c(c3)OCO4)c2)cs1 59013310 YAGSJLSXDPDKTO-UHFFFAOYSA-N 383.473 3.883 0 40 GHAB CCN(CC)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 22274108 VKXVJALSRVGIHE-UHFFFAOYSA-N 388.533 3.874 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1ccc(Br)cc1)c1cccc(F)c1 12809041 QAGAELFEGMCROT-INIZCTEOSA-N 388.240 3.841 0 40 GHAB CSc1ncc(Cl)c(C(=O)NCCCC(=O)Nc2cccc(C)c2C)n1 61997053 YZZXWMWKXWPXHY-UHFFFAOYSA-N 392.912 3.617 0 40 GHAB Cc1cc(C(=O)OCc2nc(-c3cccs3)no2)c2cnn(C(C)C)c2n1 12972379 QSKFTLNGCHTBSS-UHFFFAOYSA-N 383.433 3.789 0 40 GHAB Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccc(CN2CCOCC2)cc1 12917135 GSKRHUKLKFROTH-UHFFFAOYSA-N 396.531 3.646 0 40 GHAB COc1ccc2c(C)c(CC(=O)Nc3ccc(C(C)=O)cc3)c(=O)oc2c1C 13574063 CGGDWIPMDSXRRM-UHFFFAOYSA-N 379.412 3.802 0 40 GHAB Cc1cccc(N2CCN(C(=O)NC[C@H](c3ccco3)N3CCCC3)CC2)c1C 17125209 WSCCGOBUASRODD-OAQYLSRUSA-N 396.535 3.565 0 40 GHAB FC(F)(F)c1ccc(NC(=S)N2CCN(CCc3ccncc3)CC2)cc1 13693604 OJTYCNLOARSNQS-UHFFFAOYSA-N 394.466 3.658 0 40 GHAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(C)cc3)=NN12 5094004 BPKHEIISCWJONV-OAQYLSRUSA-N 375.472 3.877 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc2c(s1)CC[C@H](C)C2 8490244 ICRIEMVYRSKAFE-NSHDSACASA-N 389.473 3.929 0 40 GHAB O=c1c2c3c(sc2n2c(S)nnc2n1-c1ccc(Cl)cc1)CCCC3 6192076 PUBRHFPHQITAQT-UHFFFAOYSA-N 388.905 3.916 0 40 GHAB Cc1ccc(-n2c(SCC3(O)CCCCC3)nc3ccccc3c2=O)nc1 65169434 HBXYJZUTMPXTOJ-UHFFFAOYSA-N 381.501 3.876 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)c3cc(C)n(-c4nccs4)c3C)nc2n1 8621924 PVIQSUPRCMRZOJ-UHFFFAOYSA-N 398.517 3.580 0 40 GHAB Cc1ccc(-n2nnnc2-c2cnc(-c3cccnc3)nc2C(F)(F)F)cc1 4452688 SZVZCOQYVOJFOC-UHFFFAOYSA-N 383.337 3.509 0 40 GHAB CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1 5398949 XAHBGSPAAOCKJR-UHFFFAOYSA-N 397.434 3.905 0 40 GHAB COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1 6471374 ABSOINQMEOTVEG-UHFFFAOYSA-N 388.470 3.810 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2nnc(SC)s2)n1 65691996 OXAVCWRXOUMBKX-UHFFFAOYSA-N 385.927 3.999 0 40 GHAB CNc1nc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc2ccccc12 14226913 HIQPBSDOACOLMH-NSHDSACASA-N 382.445 3.520 0 40 GHAB CC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 4982884 UWONAUAPPIPNHL-OAHLLOKOSA-N 394.924 3.758 0 40 GHAB CCCNC(=O)CSc1nnc(SCc2ccc(OC)c(F)c2)s1 7290036 UODGNRRNYQGLJY-UHFFFAOYSA-N 387.527 3.596 0 40 GHAB O=C(Cn1ncc(=O)c2ccccc21)NCc1ccc(-c2ccc(Cl)cc2)o1 7243238 IHAJHSDJQONXGR-UHFFFAOYSA-N 393.830 3.626 0 40 GHAB COc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4ccncc4)n3C)o2)cc1 7329623 ZUPXDMHQVBYPCJ-GFCCVEGCSA-N 394.460 3.789 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)N(C)C)o1 15860388 FRPWXEUCOMCYRR-OAHLLOKOSA-N 388.851 3.689 0 40 GHAB O=C(C[C@@H]1OCCc2ccsc21)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 89885375 KXOUTVSIVNWJKF-ZDUSSCGKSA-N 399.438 3.900 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)[C@H]2CCCCN2C(=O)C2CCCC2)cc1C 84077076 LAPTVUZINOQIGN-HXUWFJFHSA-N 385.504 3.909 0 40 GHAB CN1C(=O)c2cc(NC(=O)[C@@H]3CCOC(C)(C)C3)ccc2Sc2ncccc21 96223241 WDLDQEXPFTWHSR-CYBMUJFWSA-N 397.500 3.967 0 40 GHAB C/C=C/c1cc(C(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc(OC)c1OC 9479641 HGUFYRXTILIUKC-BQYQJAHWSA-N 399.443 3.924 0 40 GHAB C[C@@H](NC(=O)CNc1cc(Cl)ccc1N1CCOCC1)c1cccs1 96954737 RKSIAVUXGYIGQG-CYBMUJFWSA-N 379.913 3.527 0 40 GHAB COc1ccccc1NC(=O)NC1(c2nc(-c3cnccn3)no2)CCCCC1 77197513 DOQHIBWFCANSSB-UHFFFAOYSA-N 394.435 3.516 0 40 GHAB CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccc2nc3n(c2c1)CCC3 95966714 HKXOAESDEYJQGA-OAQYLSRUSA-N 395.478 3.953 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)CN1CCSC1=S 22961265 HGISFNQJGJKJSZ-UHFFFAOYSA-N 394.997 3.925 0 40 GHAB COc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)c1 408674224 YJOPDXUYJOWQAJ-XMCHAPAWSA-N 390.439 3.649 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 408678333 FSYNAXXXCLJPSI-QGZVFWFLSA-N 387.432 3.595 0 40 GHAB Cc1noc(C)c1CCC(=O)N1CCc2onc(Nc3ccccc3F)c2C1 72397196 ZLMZRSROJFCDTR-UHFFFAOYSA-N 384.411 3.680 0 40 GHAB Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2C(=O)COc2ccccc2)n1 72376917 HFGLCNFQZLIYAK-FQEVSTJZSA-N 388.471 3.858 0 40 GHAB COc1ccc(CN2CCCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 72377442 QGSCIPUMUVMOKZ-LJQANCHMSA-N 376.464 3.746 0 40 GHAB COC(=O)c1cc(OCC(=O)Nc2ccc(C)c(C)c2)c2cc(OC)ccc2n1 65033169 NOAGRDXLHZUGOD-UHFFFAOYSA-N 394.427 3.664 0 40 GHAB CCN(CC)C(=O)CN1CCC(c2ccc(Nc3cccc(C)n3)cn2)CC1 72374168 USOUUKWNVGOAFI-UHFFFAOYSA-N 381.524 3.576 0 40 GHAB O=C(Nc1cc2c(cc1Br)OCCO2)N1CCc2ccccc2C1 40103747 IGVCCBRXNAEALF-UHFFFAOYSA-N 389.249 3.811 0 40 GHAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 223915561 LFACWRWFGFJPTI-WOJBJXKFSA-N 377.517 3.663 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1 224631566 NGYGFDSFBKLVGH-INIZCTEOSA-N 388.895 3.662 0 40 GHAB C[C@@H](NC(N)=O)c1noc([C@@H]2CN(Cc3ccccc3)C[C@H]2C2CCCCC2)n1 528191919 DEVDNYLKWLBLMN-AYOQOUSVSA-N 397.523 3.595 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 224774531 AFTONQXICIUPKD-IBGZPJMESA-N 382.504 3.626 0 40 GHAB C[C@](O)(CNS(=O)(=O)Cc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 77184257 OBCCAUHKAMLLBO-QFIPXVFZSA-N 399.487 3.820 0 40 GHAB O=C(Cn1ccc(=O)c2cc(F)ccc21)N1CCC(Cc2ccccc2)CC1 225751716 ZCJOLEQIYMDOBT-UHFFFAOYSA-N 378.447 3.622 0 40 GHAB C[C@H](C(=O)OC1c2ccccc2-c2ccccc21)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 245228154 HIAGTSFPMOTBDR-JSNMRZPZSA-N 389.451 3.863 0 40 GHAB COc1cccc(CCc2nnc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C43CC3)s2)c1 247915925 MMXYOZHQCCTOJQ-DJIMGWMZSA-N 381.501 3.873 0 40 GHAB COC1CN(c2ccc(NC(=O)c3cccc(Oc4ccccn4)c3)cc2)C1 253405623 STBICZCKDZIHDQ-UHFFFAOYSA-N 375.428 3.961 0 40 GHAB CCc1ccc([C@H]2CCCN(C(=O)c3cnc4c(cnn4C)c3OC)C2)cc1 585082178 WUSLUCUWZHDCPW-KRWDZBQOSA-N 378.476 3.559 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)cn1 257284885 PESPMPZISLKKJA-GOSISDBHSA-N 382.851 3.995 0 40 GHAB O=C(CSCc1ccccc1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678390 JRBLWBYGBGGJRP-UHFFFAOYSA-N 393.512 3.933 0 40 GHAB CCn1nc(C)c(S(=O)(=O)N2C[C@@H](C(C)(C)C)Cc3ccccc32)c1C 1665504761 NUZZSBQTJUUPJZ-KRWDZBQOSA-N 375.538 3.934 0 40 GHAB O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390832327 YQVNWBVTSDILKK-QGZVFWFLSA-N 397.418 3.707 0 40 GHAB Cc1ccc(-c2cc(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)on2)cc1 41760219 AAMINWKYBJWUMU-UHFFFAOYSA-N 390.848 3.959 0 40 GHAB COCc1c(Br)cccc1NC(=O)NCC1([C@H](C)CCO)CCC1 95987412 FBKALNOOUWRWTF-CYBMUJFWSA-N 399.329 3.906 0 40 GHAB Cc1cccc(C(C)(C)C)c1NC(=O)C[C@H]1C(=O)Nc2ccccc2[S@@]1=O 5811850 NGHGZADNERPURJ-CBZJRKILSA-N 384.501 3.750 0 40 GHAB Cc1c(-c2ccccc2)n[nH]c1C(=O)N1CCCN(Cc2cccc(F)c2)CC1 12147475 XPJNUOQKKYKSGC-UHFFFAOYSA-N 392.478 3.872 0 40 GHAB Cc1cnccc1-c1c[nH]nc1[C@H]1CCCCN1C(=O)COc1ccccc1 19239573 GKFRHJRUILXKOX-HXUWFJFHSA-N 376.460 3.913 0 40 GHAB CCn1cc(-c2cc(C(=O)Nc3ncc(-c4ccc(C)c(C)c4)n3C)no2)cn1 19665272 BNLMYWAPLALPCR-UHFFFAOYSA-N 390.447 3.828 0 40 GHAB CCc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)s1 19712639 YYRBICBWKATNPF-UEXGIBASSA-N 382.529 3.978 0 40 GHAB CNc1ncccc1CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F 19713829 VUJZSGRQSGMKFF-RTWAWAEBSA-N 396.510 3.808 0 40 GHAB Cc1cc(O[C@@H]2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)cc(=O)o1 206967372 ZQKPTVDHKGCUFD-CQSZACIVSA-N 382.338 3.652 0 40 GHAB CCc1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2N(CC)CC)C(=O)O)o1 7365654 PXDQRUNADHISQB-GXDHUFHOSA-N 392.437 3.604 0 40 GHAB CC(=O)c1cccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)c1 7474285 QINPZNKAGWRPCN-ZHZULCJRSA-N 399.410 3.773 0 40 GHAB COc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc2sc(NN)nc12 226313007 NHPURJVIBAYWDG-UHFFFAOYSA-N 386.477 3.731 0 40 GHAB Cc1cccc(C[C@]2(C)C[C@H]3[C@H](CCCN3CC(N)=O)N2c2ccc(F)cc2)c1 618017022 UAJQTLFHZRQYCZ-WPFOTENUSA-N 395.522 3.664 0 40 GHAB CCc1noc(C)c1CNC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C 661237913 OBVXCNBNYFYZSK-XIKOKIGWSA-N 377.872 3.870 0 40 GHAB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1CCc1ccccc1 6649941 MDVAHUQLSFWQON-UHFFFAOYSA-N 376.456 3.708 0 40 GHAB Cc1cnn(CC2CN(c3ccc4c(C)c(Br)c(C)nc4n3)C2)c1 1889148806 QUGLNNLGRHLKQY-UHFFFAOYSA-N 386.297 3.650 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3ccccc3F)CC2)CN1Cc1ccccc1 1848352580 LJFQIEMKWXRNSA-HSZRJFAPSA-N 382.479 3.609 0 40 GHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(OC[C@@H]2CCCO2)cc1 23737414 KXHYPJXMNFZUSW-XZOQPEGZSA-N 394.515 3.811 0 40 GHAB COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N3CCCC3)n2)cc1 4331139 PRKGHQXVFDGPRI-UHFFFAOYSA-N 392.463 3.976 0 40 GHAB Cc1ccc(-n2nnnc2CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 9615455 DPJNAHMFNUZEGP-UHFFFAOYSA-N 377.235 3.599 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)NCCC1=CCCCC1 15391334 YAQMKTJKUHOFRV-KRWDZBQOSA-N 396.578 3.688 0 40 GHAB Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC[C@@H](C)C3)c(O)n2n1 22626113 PWIDUHAKVSKNCP-BMIGLBTASA-N 378.448 3.904 0 40 GHAB Cc1cc(C)c(NC(=O)C(=O)NCC2CCN(Cc3ccccc3)CC2)c(C)c1 23127450 QUSPHMYJUNJMNI-UHFFFAOYSA-N 393.531 3.579 0 40 GHAB CSc1ccc2nc(N3CCN(c4nc(O)cc(C5CC5)n4)CC3)sc2c1 2298100644 BXOLXQYJSBGLLX-UHFFFAOYSA-N 399.545 3.718 0 40 GHAB CCN(Cc1cccc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)c1)C(C)=O 40105577 RFRLMEYAYABPND-QGZVFWFLSA-N 382.508 3.701 0 40 GHAB COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 31903832 VOAGCLVGCALNGH-MFKMUULPSA-N 376.316 3.623 0 40 GHAB CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccc(OC)cc1 873199 AJJSJOIPTPXSKS-UHFFFAOYSA-N 383.473 3.957 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccccc3)n2C)c1 894350 QKWYQAKLAYIJQC-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB O=C1NCN(c2ccccc2)C12CCN(CCCSc1ccc(F)cc1)CC2 1640702 FRWHAGPZSVSWSM-UHFFFAOYSA-N 399.535 3.736 0 40 GHAB COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1Br 2630662 NALBZZBZQNMASD-UHFFFAOYSA-N 378.194 3.537 0 40 GHAB O=C(NCCc1ccccc1)c1ccccc1S(=O)(=O)Cc1ccccc1 4726431 LUOGZUJOIOYSGA-UHFFFAOYSA-N 379.481 3.633 0 40 GHAB CCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc2cc(C)ccc21 4973486 ZVAWQXGMEWIPIO-UHFFFAOYSA-N 382.460 3.925 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)cc2F)cc1 6322253 LRMZKKBUSPWABT-UHFFFAOYSA-N 396.459 3.613 0 40 GHAB Cc1n[nH]c2c1[C@H](c1cccc(O)c1)N(c1ccc(Br)cc1)C2=O 6413307 UZDOQUCUDGHZFV-KRWDZBQOSA-N 384.233 3.936 0 40 GHAB COc1cccc(NC(=O)COC(=O)CCCOc2ccc(Cl)c(C)c2)c1 6610924 FCNPAYFNGLFNAR-UHFFFAOYSA-N 391.851 3.998 0 40 GHAB C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3F)c2)C1 6680934 XAFQWUGTELWFAD-LBPRGKRZSA-N 382.482 3.560 0 40 GHAB CSc1nc(N2CCCCC2)c2cc(C(=O)NCc3ccccn3)sc2n1 7365770 UAAMCIRUPLAHMG-UHFFFAOYSA-N 399.545 3.729 0 40 GHAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1Br 32912077 GDRRSNVRKKJLSV-MRXNPFEDSA-N 391.284 3.983 0 40 GHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(OC)cc3OC)ccc21 10972318 OJASYCFHFLKLDN-UHFFFAOYSA-N 398.459 3.728 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)N[C@@H]1CCN(Cc2ccccc2)C1 23076462 OBSSPRNZAOEAEF-HXUWFJFHSA-N 375.472 3.665 0 40 GHAB O=C(O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1O 20152056 JCOIWCLTKOTTID-UHFFFAOYSA-N 385.228 3.524 0 40 GHAB O=C(NCc1nc(-c2cccc(Br)c2)no1)NC1CCCCC1 109474629 HSEOJZKMHLSNCX-UHFFFAOYSA-N 379.258 3.631 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4Cl)ccn3n2)cc1 12414404 UMWKEQGRMVCNHW-UHFFFAOYSA-N 392.846 3.764 0 40 GHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 105699263 YGPYPLBLTBVAPJ-FACIQBDNSA-N 378.463 3.660 0 40 GHAB C[C@@H](C(=O)c1ccc(Cl)cc1)[C@@]1(O)C(=O)Nc2ccc(Br)cc21 1320409 WZQFPNZOFQTJPS-XYZCENFISA-N 394.652 3.761 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)ccc2c1 58163077 LCGVKBKUBWWNNQ-BTYIYWSLSA-N 379.460 3.966 0 40 GHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCSC2CCCCC2)c1 20455039 KAGYLIQAHSMOPT-UHFFFAOYSA-N 390.958 3.507 0 40 GHAB COc1ccccc1OCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)o1 27980305 NCFWINDEVRGOQV-UHFFFAOYSA-N 392.455 3.830 0 40 GHAB COc1cccc([C@H](CNC(=O)[C@H]2Cc3ccccc3S2)N2CCCC2)c1 27343027 UEWPNXHDGRXGBO-PZJWPPBQSA-N 382.529 3.665 0 40 GHAB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)N2CCCc3ccccc32)n1 3373700 VFQJKOPXBRUYKH-ZDUSSCGKSA-N 390.530 3.709 0 40 GHAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)c1ccc(-c2ccccc2)cc1 10721449 RRNYQMLVZYIHQK-UHFFFAOYSA-N 390.464 3.990 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CNc3ccc(Cl)c(Cl)c3)ccc21 12756957 JBHDLCFWXLYLMU-UHFFFAOYSA-N 378.259 3.953 0 40 GHAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 408584983 XJTYCPWZJZONCQ-UHFFFAOYSA-N 395.912 3.596 0 40 GHAB CC(C)c1noc(COC(=O)Cc2csc(COc3ccc(F)cc3)n2)n1 36692784 XMJPBVVCLGEEID-UHFFFAOYSA-N 391.424 3.654 0 40 GHAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)c1 48356009 VLZDZXZBNUZPIY-LBPRGKRZSA-N 397.866 3.679 0 40 GHAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(C(C)C)cc1 12878436 UBMLQLFDFJMXMX-UHFFFAOYSA-N 388.533 3.568 0 40 GHAB O=C1CC[C@]2(C(=O)OCc3csc(-c4ccc(Cl)cc4)n3)SCCN12 12927430 IZVLWSABWVNWBA-QGZVFWFLSA-N 394.905 3.572 0 40 GHAB COc1ccc2cc(C(=O)NCC(=O)Nc3cccc(C)c3C)c(C)nc2c1 12997930 ODKDIFMXUPEYKE-UHFFFAOYSA-N 377.444 3.537 0 40 GHAB CC1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)CC1 64076952 XUECQAMSSUYDEG-QGZVFWFLSA-N 396.453 3.745 0 40 GHAB CN(C)c1ccc(N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 17877526 QFEHDPVTTNNKLO-MRXNPFEDSA-N 377.366 3.515 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)o2)cc1OC 5019264 WASMCUXWHILWIF-OCCSQVGLSA-N 391.493 3.541 0 40 GHAB CCOC(=O)/C(=C\c1ccc(OCC)c(OCC)c1)NC(=O)c1ccccc1 5021951 RPEHOGCHDUPURO-NBVRZTHBSA-N 383.444 3.818 0 40 GHAB COc1ccc(/C=C/c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)cc1 4384016 LENGACKQBUNXFO-YRYLYKBFSA-N 392.440 3.877 0 40 GHAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 4574945 SGJVPEWOHRKRTG-UHFFFAOYSA-N 385.316 3.813 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1csc2c1CC[C@@H](C)C2 14595149 JOKFCXJHWWWSKT-LLVKDONJSA-N 389.473 3.929 0 40 GHAB Cc1c(NC(=O)[C@@H](C)Sc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 8756727 GVBSDFWRCPREHA-CQSZACIVSA-N 385.464 3.743 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N(C)C)n2[C@@H]2CCCC[C@@H]2C)cc1 5861696 YCOAYQJTRVWECU-WMLDXEAASA-N 388.537 3.885 0 40 GHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(Br)ccc1F 6988278 PKZIXSOCDFKMCO-UHFFFAOYSA-N 377.213 3.967 0 40 GHAB COc1ccccc1Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 7109561 GSNGUKRTGGEPIM-UHFFFAOYSA-N 375.475 3.934 0 40 GHAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(-c2ccccc2)cc1 8890534 NXOXJDAKTYBYCX-VWLOTQADSA-N 396.446 3.930 0 40 GHAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(OC(F)F)cc2)no1 8924458 UZHHEEAJKCHWTM-UHFFFAOYSA-N 375.331 3.811 0 40 GHAB Cc1cc(C)n2c(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)nnc2n1 7820990 WFOFEMCLXFDLSL-HNNXBMFYSA-N 395.532 3.589 0 40 GHAB O=C(Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1)NC1CC1 8077210 RPTAGONULVTWHN-UHFFFAOYSA-N 399.299 3.615 0 40 GHAB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1 8181077 BOAXEILRRWMDDL-UHFFFAOYSA-N 392.908 3.791 0 40 GHAB Cc1ccsc1C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 96006857 GUVQWABDONSJCS-UHFFFAOYSA-N 392.278 3.885 0 40 GHAB Cc1cc2ncn(S(=O)(=O)c3ccc(Br)c(C)c3)c2cc1C 96305791 KHWHQSDMWCFVMI-UHFFFAOYSA-N 379.279 3.961 0 40 GHAB COc1cccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c1 96817229 CNYLFOVHBBQJOA-XMHGGMMESA-N 387.399 3.579 0 40 GHAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 71826921 WTADEUYWDRDCKA-ROKPMTFOSA-N 392.543 3.996 0 40 GHAB O=C(NCc1cccnc1)C1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 71874396 SRISFOPWBMTSRX-UHFFFAOYSA-N 392.286 3.557 0 40 GHAB Cn1cc([C@H]2SCC(O)=Nc3c2cnn3-c2cc(F)ccc2Cl)cn1 79502159 VRGHLCIKXJIDCA-OAHLLOKOSA-N 377.832 3.823 0 40 GHAB Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(CN2CCOCC2)cn1 95976281 ZYJKHOZDPOUQQG-UHFFFAOYSA-N 394.500 3.598 0 40 GHAB Cc1c(C(=O)Nc2ccc(-c3ccccn3)cn2)nnn1-c1cccc(Cl)c1 95977628 HHKYTQFHEOGNML-UHFFFAOYSA-N 390.834 3.938 0 40 GHAB Cc1cccc(CN2CCN(C)[C@H](c3cn4c(-c5ccncc5)cccc4n3)C2)n1 306136821 QEHADHKXKCFKOD-QHCPKHFHSA-N 398.514 3.588 0 40 GHAB CCCCN1C(=O)COc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc21 32593491 UPSPMTAGFXAFLT-UHFFFAOYSA-N 392.411 3.571 0 40 GHAB CCOc1c(Cl)cc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1OC 30029500 BGWTWWSRKCIAMY-GOSISDBHSA-N 388.895 3.876 0 40 GHAB O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCc2cc(O)ccc2C1 1515043073 PRDOKZGUHCMQFJ-IAGOWNOFSA-N 377.362 3.979 0 40 GHAB CCCOc1ccc(Oc2ncccc2CN=c2ccc3ncc[nH]c-3n2)cc1 522776006 MPTXVZMBDBFFLX-UHFFFAOYSA-N 387.443 3.987 0 40 GHAB CC(=O)Nc1ccc(CN2C[C@H]3CCC[C@](O)(c4cccc(F)c4)[C@@H]3C2)cc1 72340452 UKWRYFQDPYCLDJ-YSZBQJHXSA-N 382.479 3.904 0 40 GHAB Cc1ccc(F)cc1NC(=O)CSc1nc2ccccc2n2c(C)nnc12 64949021 QYIMVMFRINCICY-UHFFFAOYSA-N 381.436 3.764 0 40 GHAB CN(C)C(=O)c1cc([C@@H]2CN(Cc3ccc(F)cc3)CCO2)nc2ccccc12 72352706 XHRAWAKCTSAGFI-QFIPXVFZSA-N 393.462 3.649 0 40 GHAB Cc1cc(Oc2ccccc2C)nc([C@@H]2CCCN2C(=O)c2cnccn2)n1 72383779 QYEGZYCCDYFDHK-KRWDZBQOSA-N 375.432 3.653 0 40 GHAB COc1ccc(-c2cn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1 45221606 RVGJNTHNBJEYRC-UHFFFAOYSA-N 381.413 3.774 0 40 GHAB CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 224656282 RHXZMGICGUFKCG-UHFFFAOYSA-N 397.880 3.659 0 40 GHAB COC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(SC)cc1 224983970 CRUUDUYWYDXAPH-UHFFFAOYSA-N 399.921 3.739 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1C 225798119 SHNVPWGYLALAQQ-UHFFFAOYSA-N 385.869 3.783 0 40 GHAB COc1cc(NC(=O)NCCN2CCC(c3cccs3)CC2)cc(OC)c1 77104376 YFUTWVGCKBMCLW-UHFFFAOYSA-N 389.521 3.766 0 40 GHAB CC(C)c1ccc(OCCNC(=O)CCCn2c(=O)oc3ccccc32)cc1 48354710 CAWCTANNVBKQIU-UHFFFAOYSA-N 382.460 3.693 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222512266 VSMFRBSGZGUJFT-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB C[C@@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NCc2ccco2)n1 225913555 PVDUOOKWVOZIHH-LLVKDONJSA-N 399.442 3.954 0 40 GHAB CCCC[C@H](CC)CNC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 224690758 KNUQOBRTYGFREU-KRWDZBQOSA-N 398.569 3.574 0 40 GHAB COc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)cc1Cl 225925246 RIJOHRHTDRMGBX-UHFFFAOYSA-N 376.840 3.992 0 40 GHAB CCCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223413680 YMRUHXMLNOXHLG-UHFFFAOYSA-N 382.869 3.749 0 40 GHAB Cc1ccc(CNC(=S)Nc2nc(N3CCCC3)cc(C(F)(F)F)n2)cc1 225946187 LCSUWEAIEQIFJE-UHFFFAOYSA-N 395.454 3.891 0 40 GHAB CC[C@@H]1NCC[C@@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 581426219 KBZAHSRFOIUCDN-ONTIZHBOSA-N 391.515 3.813 0 40 GHAB O=C(Cc1nnc(O)c2ccccc12)N(CCc1ccccc1)Cc1cccnc1 578912857 MHKOGMJKWCJGML-UHFFFAOYSA-N 398.466 3.544 0 40 GHAB O=C(CN1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257286491 PLTOUIDMHGYXEO-LJQANCHMSA-N 399.510 3.987 0 40 GHAB COc1cccc(C(=O)N(C)C[C@H]2CC[C@H](c3cc(CN(C)C)n(C)n3)CC2)c1 257267263 MGOVFUJABRUSOZ-IYARVYRRSA-N 398.551 3.536 0 40 GHAB O=C(CSc1nc2ccccc2s1)NC1CCN(c2nccs2)CC1 96099828 YOULUBRKADKTOF-UHFFFAOYSA-N 390.559 3.630 0 40 GHAB C[C@H]1CN(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC[C@@H](C)O1 585098968 XCMWWFMIXJDVKM-CVEARBPZSA-N 399.466 3.787 0 40 GHAB COc1ccc2c(c1)CCN2C(=O)c1c(C)nc(-c2ccco2)nc1SC 58716691 NZYXAOREWMZQLY-UHFFFAOYSA-N 381.457 3.978 0 40 GHAB CSc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1 72393102 PSONCXOJFOZXBT-SFHVURJKSA-N 392.528 3.933 0 40 GHAB C[C@@H](CN1CCNC(=O)[C@@H]1Cc1cccc(-c2ccncc2)c1)c1ccccc1 72351655 CDMACZZYPLTCQZ-CYFREDJKSA-N 385.511 3.895 0 40 GHAB COc1ccc(NC(C)=O)cc1NCC(=O)N1CC[C@H](C)Sc2ccccc21 11620441 OWFDNRNIRHAPBL-AWEZNQCLSA-N 399.516 3.983 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1 12118662 LPZZZBFIAJGMPK-KRWDZBQOSA-N 390.491 3.713 0 40 GHAB COc1ccc2cc(COC(=O)CNC(=O)c3cccc(C)c3)c(Cl)nc2c1 15228804 NQDRPVIWYVMPBI-UHFFFAOYSA-N 398.846 3.678 0 40 GHAB COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3c[nH]c4ccccc34)n2)cc1 15674692 ZRQAXHGVLKCSAU-UZLBHIALSA-N 390.443 3.534 0 40 GHAB biogenic,in-vitro Cc1cnn(CC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 19239962 AOSKVDPWLCAGEV-UHFFFAOYSA-N 380.395 3.896 0 40 GHAB COc1ccccc1-c1ccc(C[C@]2(C(=O)NC(C)C)CCN(C(C)=O)C2)cc1 19448989 OLWNGKOAWZFPKS-XMMPIXPASA-N 394.515 3.668 0 40 GHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)C4CC4)CC3)cc2N1 19451407 JAKGPBJQLMOLOR-GOEBONIOSA-N 384.446 3.943 0 40 GHAB O=C(O)CN(Cc1ccc(F)cc1)C(=O)c1ccnc(Cc2cccc(F)c2)c1 257344168 ZWAKPESEWLTYSR-UHFFFAOYSA-N 396.393 3.678 0 40 GHAB CC[C@H](C)C(=O)O[C@@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 29747207 AJLFOPYRIVGYMJ-HDZYHIJLSA-N 390.520 3.950 0 40 GHAB biogenic COc1cc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)ccc1OC(F)F 24042075 QEFZUPIBENUKGS-UHFFFAOYSA-N 394.765 3.783 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3cc(F)cc(F)c3)C2)CN1c1cccc(F)c1 2037977899 WJUULSAIVDHWED-NRFANRHFSA-N 390.405 3.502 0 40 GHAB O=C1COC[C@@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)CN1c1ccccc1 2037983952 LQOCBPJWLJGIGO-OAQYLSRUSA-N 388.870 3.735 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N1CCN=C1SCc1c(F)cccc1Cl 4120156 JBKUQIRZDWYRSJ-UHFFFAOYSA-N 392.839 3.953 0 40 GHAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccc(OC(C)C)cc1 5075904 MQDBOJCAKYNTCC-UHFFFAOYSA-N 388.489 3.574 0 40 GHAB O=C(NCc1nnc(SCc2ccc(F)cc2)o1)c1c(F)cccc1F 5107605 LBYLIJBBGKFXHK-UHFFFAOYSA-N 379.363 3.709 0 40 GHAB COc1ccc(-c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)nn1 5204202 OTTHQCBHQAHJRK-UHFFFAOYSA-N 375.837 3.606 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1 5441470 DCTCEJFIIRUMFL-UHFFFAOYSA-N 382.460 3.792 0 40 GHAB O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccccc1 9013252 ZPLPYPYNOWAFCS-UHFFFAOYSA-N 385.514 3.735 0 40 GHAB O=C(NCC(=O)c1cccs1)C1=Cc2cc(Br)ccc2OC=C1 15838649 QLEVXODBHDFAHE-UHFFFAOYSA-N 390.258 3.799 0 40 GHAB COc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCCC3)n2)cc1 16954111 UEKYWBSEUYYYBP-UHFFFAOYSA-N 388.493 3.787 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)CC)CCC3)cc1 17247976 ACLSDVYJZXPYSC-UHFFFAOYSA-N 388.489 3.575 0 40 GHAB CC(C)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 23181418 RWGLNYQBGNIIPC-OXQOHEQNSA-N 389.540 3.911 0 40 GHAB COc1ccc(-n2ccc(=O)c(-c3nc(-c4ccc(Cl)c(F)c4)no3)n2)cc1 33300426 AVZHJOAUOPHFGH-UHFFFAOYSA-N 398.781 3.751 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)c1nnn(Cc2ccccc2)c1-c1ccncc1 206642613 DFIHUFLDAVTCMS-LPHOPBHVSA-N 375.476 3.697 0 40 GHAB O=C(NCc1cccs1)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219243972 WJPUZAULFIOBQM-QGZVFWFLSA-N 376.503 3.867 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2nc3ccccc3s2)CC1 23908334 FBQKWCNQVOZEQO-UHFFFAOYSA-N 376.485 3.736 0 40 GHAB COc1ccc(-c2nc(CN3CCN(C(=O)c4ccoc4C)CC3)cs2)cc1 30568701 VIVIXLWGJQUDDT-UHFFFAOYSA-N 397.500 3.678 0 40 GHAB Cc1cccc(N2CCN(CC[C@H](C)NC(=O)NCc3ccc(F)cc3)CC2)c1 31098541 OBFNHFOPWOLFCV-IBGZPJMESA-N 398.526 3.534 0 40 GHAB COc1ccc(N2C(=O)/C(=C/NCCC(C)C)c3ccccc3C2=O)c(OC)c1 8560433 SGKWLWNBWPHFFJ-XMHGGMMESA-N 394.471 3.867 0 40 GHAB Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2cnn(C(C)C)c2n1 11772330 UVINYDFRRMPXQZ-UHFFFAOYSA-N 391.519 3.715 0 40 GHAB Cc1cc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)ccc1-n1cnnn1 29524319 HLINWMIVVIBZNQ-UHFFFAOYSA-N 394.435 3.570 0 40 GHAB Cc1ccc(F)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 979150 XEYNCCWXSWHSKB-KRWDZBQOSA-N 396.871 3.579 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 1324852 GYYKMHUBSXRQNI-KDOFPFPSSA-N 392.546 3.535 0 40 GHAB Cc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nnc2-c2ccco2)c1 1328529 MVUIZHGAZFEKMO-UHFFFAOYSA-N 395.444 3.863 0 40 GHAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(OC)cc3)nc2)cc1 1358632 NQMUMGSXKQVSPA-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB O=S(=O)(Cc1ccccc1)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 1364215 CUKZZEYECVWNQY-HNNXBMFYSA-N 389.502 3.508 0 40 GHAB O=C1Nc2cccc(Cl)c2[C@]12CC(O)=Nc1c2cnn1-c1ccc(F)cc1 20745847 RRZIEVLASBVWDP-LJQANCHMSA-N 382.782 3.895 0 40 GHAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)N1CCc2ccccc21 2639387 VXPLSBPYPRICSN-UHFFFAOYSA-N 379.272 3.718 0 40 GHAB COc1ccc(CNC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1OC 2642181 SGUGTKQTULGMEZ-UHFFFAOYSA-N 391.880 3.642 0 40 GHAB CCCCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 6308669 MPFBSXQTFCFKLA-UHFFFAOYSA-N 392.496 3.636 0 40 GHAB CCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1 6386581 YHRUEUOUCNWQMZ-UHFFFAOYSA-N 399.516 3.871 0 40 GHAB Cc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 32754404 LXIMRLMMRNTMLW-JOCHJYFZSA-N 379.504 3.607 0 40 GHAB O=C(NCCOc1ccc(F)cc1)c1nccnc1-c1nc2ccccc2s1 32809385 MQPWNUDKVFRVFJ-UHFFFAOYSA-N 394.431 3.701 0 40 GHAB COc1ccc(COC[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 32907306 WVCOTGCNJHKJCN-CQSZACIVSA-N 380.366 3.641 0 40 GHAB Cc1ccccc1NC(=O)CN1CCN(Cc2csc3ccccc23)CC1 22932746 KNEKTULJRBRYDW-UHFFFAOYSA-N 379.529 3.966 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccc(C)c(F)c2)c(-c2cccc(F)c2)n1 57508204 ZESBEWVISLZAEF-UHFFFAOYSA-N 383.398 3.698 0 40 GHAB Cc1c(Cl)cnc(NC(=O)COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)c1Cl 102789777 CGEXUFIVGOKXLQ-GHMZBOCLSA-N 399.274 3.574 0 40 GHAB CCCNC(=O)C1CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 42685479 BHCVYIWIZJNWQK-LBPRGKRZSA-N 386.323 3.559 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 23732903 IXTIDUAIOQYHLT-NTEUORMPSA-N 394.899 3.597 0 40 GHAB O=C(NCCN(Cc1ccccn1)Cc1cccc(F)c1F)c1cccs1 57797360 UVBMZDHRNNWWND-UHFFFAOYSA-N 387.455 3.854 0 40 GHAB Cc1ccccc1Nc1nnc(SCc2ccco2)n(-n2cccc2)c1=O 28536300 KCJOHBSXNJLZIJ-UHFFFAOYSA-N 379.445 3.689 0 40 GHAB O=C(c1cccc(CN2CCOCC2)c1)c1ccc(Br)c(F)c1 43211013 JKBSHLNYGPEEMK-UHFFFAOYSA-N 378.241 3.651 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC(C(=O)N2CCCC2)CC1 24840921 QRPJFXMHDTZALD-CYBMUJFWSA-N 398.334 3.655 0 40 GHAB Cc1nn(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c(=O)c2ccccc12 25286125 UKROIXVYNHJTNU-QHCPKHFHSA-N 397.478 3.805 0 40 GHAB COc1ccccc1CN1CCc2nc3cc(-c4ccoc4C)nn3c(O)c2C1 100141731 CHCYOMJCPGHOBL-UHFFFAOYSA-N 390.443 3.570 0 40 GHAB Cc1noc(-c2ccc(C(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2)n1 55945647 CTENCGFRRZLIAT-RBUKOAKNSA-N 381.407 3.834 0 40 GHAB O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Nc2ccccc2F)CC1 56353137 OXWZKPAONQIXEZ-UHFFFAOYSA-N 376.819 3.757 0 40 GHAB O=C(Nc1ccc(OC[C@H](O)COCc2ccccc2F)cc1)c1ccco1 27213326 FLCKZMVNOGSYKC-QGZVFWFLSA-N 385.391 3.628 0 40 GHAB CCOC(=O)c1oc2ccccc2c1CNC(=O)CCc1ccccc1OC 58224847 MAKOVXCHRHNFCV-UHFFFAOYSA-N 381.428 3.867 0 40 GHAB CCc1oc2ccccc2c1CN(C)CN1C(=O)NC2(CCC(C)CC2)C1=O 23731546 PJSLJRXPJYIHSH-UHFFFAOYSA-N 383.492 3.885 0 40 GHAB O=C(Nc1ccc2cc[nH]c2c1)[C@H](Cc1ccccc1)NC(=O)N1CCCC1 44902944 CCXNHPQAEYGYIE-FQEVSTJZSA-N 376.460 3.523 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2N)c1 2265514 XEXPLFQKNDWWCL-UHFFFAOYSA-N 397.504 3.522 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccncc1)CC2 3235310 XQDHXVRVMKORAL-FQEVSTJZSA-N 380.469 3.948 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(F)cc1)N(C)Cc1ccccc1N1CCOCC1 11193565 GRDSWZUINXQTGQ-FQEVSTJZSA-N 385.483 3.511 0 40 GHAB NC(=O)N[C@@H](CC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(Cl)cc1 12615807 ZERIHZVGNOOCQB-IBGZPJMESA-N 383.879 3.755 0 40 GHAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1ccc2c(c1)OCCO2 3318012 CJXHKLBLINGFJE-UHFFFAOYSA-N 384.403 3.835 0 40 GHAB C[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc(S(C)(=O)=O)cc1 12764149 LHPJNVGUSUSLSO-ZDUSSCGKSA-N 386.498 3.705 0 40 GHAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(Br)cc1 3508732 MRINCEQQBAALJE-UHFFFAOYSA-N 378.222 3.562 0 40 GHAB CSc1ccc(Cl)c(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1 3564601 KSVRTWCDPCMEPP-UHFFFAOYSA-N 375.833 3.515 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(C)cc(=O)oc4c3)CC2=O)cc1 12907513 KNIKAJYLUXVCGY-INIZCTEOSA-N 390.439 3.655 0 40 GHAB O=C(Cc1csc(-c2cccs2)n1)NCCc1ccc2c(c1)OCCO2 12939043 TZHUDAUYGIRBBF-UHFFFAOYSA-N 386.498 3.544 0 40 GHAB O=C(CCN1CCN(c2ccccn2)CC1)Nc1cc(Cl)ccc1Cl 12941855 PEJTWFSVPIEENP-UHFFFAOYSA-N 379.291 3.539 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3nc(-c4cccs4)no3)c12 12920515 BCWPJCQSRMGFJB-UHFFFAOYSA-N 382.401 3.877 0 40 GHAB COc1ccc2c(C)c(CC(=O)N[C@@H](C)c3ccccc3)c(=O)oc2c1OC 4089728 HLAQNXNYDVNCRX-AWEZNQCLSA-N 381.428 3.539 0 40 GHAB biogenic Cc1ccc2nc(NC(=O)[C@@H](C)Cn3cc(Br)cn3)sc2c1 28234680 MVWSKSQMKNZVHW-JTQLQIEISA-N 379.283 3.839 0 40 GHAB C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CC[C@H](c2ccccc2)C1 69897087 VCKKKTRHMMVENC-MJGOQNOKSA-N 377.488 3.630 0 40 GHAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(-c3c[nH]cn3)cc2)cc1 39980624 JPWUQYFQDLOOES-UHFFFAOYSA-N 380.473 3.696 0 40 GHAB O=C([C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1)N1CCCCC1 8709353 LZMOFVVKQWCMDU-QHCPKHFHSA-N 391.515 3.657 0 40 GHAB O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2cccs2)N1C[C@H]1CCCO1 8778755 POZHRHWAXOXEHD-BFUOFWGJSA-N 380.473 3.884 0 40 GHAB Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)N(CN3CCCCC3)c3ccccc32)c1 5388718 RGUPEHFTEPHMNK-XMMPIXPASA-N 392.499 3.554 0 40 GHAB COc1ccc(CNC(=O)CCC(=O)c2ccc(Br)cc2)cc1 14125096 WSCIELMXSWNKBP-UHFFFAOYSA-N 376.250 3.737 0 40 GHAB CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1OC 8780445 QNOHFYGSZJEDLE-YCRPNKLZSA-N 382.460 3.839 0 40 GHAB O=C(CSc1nc2ccccc2s1)NCc1ccc(N2CCCC2=O)cc1 8707293 SJYLEQCYSFOYNU-UHFFFAOYSA-N 397.525 3.832 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 24355229 ZWSREDRNCJLGQM-UHFFFAOYSA-N 375.490 3.591 0 40 GHAB Cc1c(Cl)cnc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)c1Cl 6516720 RJFYKUGPQCGJQZ-UHFFFAOYSA-N 395.271 3.664 0 40 GHAB CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 6611072 IYQFFJBDVVOHGK-INIZCTEOSA-N 383.492 3.783 0 40 GHAB CN(C)S(=O)(=O)c1ccc(SCc2cc3ccccc3nc2Cl)nc1 6647625 LNWFSXSUQJXYAH-UHFFFAOYSA-N 393.921 3.826 0 40 GHAB COC(=O)c1cc(NCc2cc(Cl)ccc2OC)ccc1N1CCOCC1 4705462 HVDLJSCWEOHHEW-UHFFFAOYSA-N 390.867 3.584 0 40 GHAB CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2)c2cc(Br)ccc21 4784306 MWSQWAPXDVDFMC-LJQANCHMSA-N 388.261 3.585 0 40 GHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1 408641888 DHYRHRKDKBXMMJ-CYBMUJFWSA-N 392.238 3.772 0 40 GHAB COc1ncccc1CN1CCc2c(n3cc(-c4ccc(C)cc4)nc3n2C)C1 306140454 UUBPZIMWARHZPD-UHFFFAOYSA-N 387.487 3.610 0 40 GHAB Cc1sc2nc([C@H](C)OC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)[nH]c(=O)c2c1C 7738349 LNHPPUNNULLBII-RAQOOLMWSA-N 388.489 3.601 0 40 GHAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2F)s1 7776668 PYKFIMXISGOJSI-LURJTMIESA-N 376.276 3.867 0 40 GHAB Cc1cc(NC(=O)COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)no1 7977377 YWQQQYJZEINGCE-XNTDXEJSSA-N 386.404 3.906 0 40 GHAB CCOC(=O)[C@H](NC(=O)c1cccc(F)c1)c1c(C)nn(-c2ccccc2)c1C 8062373 SSRJWECMYBUNNT-HXUWFJFHSA-N 395.434 3.662 0 40 GHAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)N3CCNC3=O)nc2c1 8130705 GRSKEPPBKGNWAE-UHFFFAOYSA-N 393.468 3.554 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCC(=O)c2ccc(Cl)s2)c1C 9488584 WRICKOQUHPYTDL-UHFFFAOYSA-N 395.864 3.938 0 40 GHAB c1csc(-c2cnc3n2C[C@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)c1 306141203 VOGLCUFDWGMXHA-OAQYLSRUSA-N 395.484 3.515 0 40 GHAB CCOC(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 71850894 GCYBQGQSZDUGTI-ZDUSSCGKSA-N 377.441 3.756 0 40 GHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2C[C@H]1C 20449036 PTNMSAQPHAKTKJ-GFCCVEGCSA-N 378.881 3.693 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N1C(=O)NC2(CCCCCCC2)C1=O 9683054 GQSYWHKGDMHEEH-ROUUACIJSA-N 399.535 3.547 0 40 GHAB Cc1cc(-c2csc(NC(=O)c3cc(S(C)(=O)=O)ccc3F)n2)c(C)o1 96998988 KTPKTVYZMYPDEW-UHFFFAOYSA-N 394.449 3.815 0 40 GHAB O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)CC2CCCC2)C1 72272781 PESMWIPIRJESSI-CQSZACIVSA-N 394.313 3.602 0 40 GHAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1OC 72332174 LZLNDXOQULIYEN-CYBMUJFWSA-N 399.422 3.703 0 40 GHAB COc1ccc(C2(CNC(=O)c3ccc4c(ccn4C)c3)CCOCC2)cc1 72324912 VHNPIPQRJPPYKK-UHFFFAOYSA-N 378.472 3.665 0 40 GHAB biogenic O=C1CSc2ccc(NC(=O)NCc3ccc(Br)s3)cc2N1 84489922 SHAMWDZCABSCJK-UHFFFAOYSA-N 398.307 3.877 0 40 GHAB O=C(c1c[nH]c2nccc(Cl)c12)N1CCN(Cc2ccc(Cl)s2)CC1 95444716 LJJNXFLTKSSHMM-UHFFFAOYSA-N 395.315 3.889 0 40 GHAB COC(=O)[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1cccc(O)c1 89396337 DJIADLICOQEYTP-GOSISDBHSA-N 385.803 3.950 0 40 GHAB C[C@@H](C(=O)N1CCN(Cc2cccc(Cl)c2)CC1)n1cnc2ccccc21 89420169 ZMEYDSWHQIWGOG-INIZCTEOSA-N 382.895 3.595 0 40 GHAB Cc1sc2nc(S[C@@H]3C[C@@H](C)OC3=O)n(C3CCCC3)c(=O)c2c1C 60891604 JTYYTHTWELAIPZ-NOZJJQNGSA-N 378.519 3.986 0 40 GHAB O=C(Nc1cccnc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409412642 YXVUWRDXAXIBSA-FQEVSTJZSA-N 379.441 3.701 0 40 GHAB COc1ccccc1N1CCN(C(=O)CSCc2cc(C)cc(C)c2)CC1 408867679 LGKQUALWTZBWJD-UHFFFAOYSA-N 384.545 3.894 0 40 GHAB COCC(=O)N1CC[C@H](c2cc(Cc3ccc(C(F)(F)F)cc3)cc(C)n2)C1 72374750 JGEWSBNYFHMVPE-KRWDZBQOSA-N 392.421 3.962 0 40 GHAB C[C@@H](NC(=O)CCCNC(=O)c1ccco1)c1ccc(OC(F)(F)F)cc1 32817066 TYXNWPUPCDAGJM-GFCCVEGCSA-N 384.354 3.566 0 40 GHAB COC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OCc2ccccc2)CC1 219770592 LOZDXRXYBXMTGC-UHFFFAOYSA-N 387.863 3.944 0 40 GHAB O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1F 31315413 ARYYBIBLXQLINY-UHFFFAOYSA-N 378.245 3.513 0 40 GHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc(O)c2)n2ncnc2N1 39427827 BSBJCCFPYXJKAU-KRWDZBQOSA-N 381.823 3.565 0 40 GHAB C[C@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccco3)n2)C1 225913931 SBJBGJCULSJITH-TXEJJXNPSA-N 379.917 3.692 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O 220585918 KVLDAHZTSPIFEO-HNNXBMFYSA-N 384.860 3.662 0 40 GHAB COc1cc(OC)c(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1Cl 43413977 KITMSZKWGXHHGV-CYBMUJFWSA-N 383.901 3.843 0 40 GHAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 222958176 TZJJALFKIRMXNV-DBVUQKKJSA-N 384.549 3.835 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 223282803 FFTZZYCYNKRSNA-QGZVFWFLSA-N 388.533 3.509 0 40 GHAB Cc1ccc(C)c(OCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 224040448 SQAUYQIRTZIBKW-FQEVSTJZSA-N 384.495 3.850 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)c1 224855117 JAXGKBDJDVRRKM-WOJBJXKFSA-N 394.500 3.614 0 40 GHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 224313910 OEHVSNOTSGQEKP-INIZCTEOSA-N 388.458 3.697 0 40 GHAB CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 223304136 KSMDJCZYDCPKAO-UHOSZYNNSA-N 384.549 3.790 0 40 GHAB Cn1nc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c2ccccc2c1=O 40117340 ALBNSYWAABDXHE-LJQANCHMSA-N 379.435 3.734 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 222683084 PTBMWGVQPROMOR-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB O=C(CCc1ccc2c(c1)OCCO2)NCCOc1cccc2ccccc12 195703087 NFRPESKFYQVRGG-UHFFFAOYSA-N 377.440 3.739 0 40 GHAB O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)N1CC[C@@H](n2cccn2)C1 581045850 WAMWSYJXHKOROV-MRXNPFEDSA-N 390.369 3.567 0 40 GHAB COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1cccs1)CC2 96061338 DCLHQBFBPFQCIB-FQEVSTJZSA-N 384.545 3.745 0 40 GHAB NC(=O)COc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1 95346056 JMIDARAHTTVZCY-UHFFFAOYSA-N 386.411 3.610 0 40 GHAB O=C(CCc1cccnc1)N1CC2(CCN(Cc3cccc(Cl)c3)CC2)C1 96203018 PTLDNCNGNKJNGO-UHFFFAOYSA-N 383.923 3.792 0 40 GHAB CCC(=O)O[C@@H](O[C@H](C(=O)O)[P@@H](=O)CCCCc1ccccc1)C(C)C 95830682 LIEAASLUJOIEEI-OALUTQOASA-N 384.409 3.932 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NC1CCN(c2ncnc3c2CCCC3)CC1 253397281 FLTNTJKADLNBHP-MDZDMXLPSA-N 396.922 3.807 0 40 GHAB O=C(N[C@@H](C(=O)O)C12CC(F)(C1)C2)OCC1c2ccccc2-c2ccccc21 258830692 HTJXDUQTMJFOCT-XTWGIRIWSA-N 381.403 3.871 0 40 GHAB O=C(c1cnc2ccccc2c1)N1CCC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 257252901 JWOXKLDKPCEFKZ-MRXNPFEDSA-N 398.470 3.510 0 40 GHAB O=C(O)C1CCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 261813346 WAVWECOQSGWEOX-UHFFFAOYSA-N 395.175 3.796 0 40 GHAB Cn1ncc(C2CC2)c1C(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 1616043661 SNKIJJYXSBKRQG-UHFFFAOYSA-N 393.318 3.957 0 40 GHAB COc1cc(OC)c2c(c1)N(C(=O)c1cncc(Br)c1C)CCC2 628702265 QBWZPEWKUIXPBD-UHFFFAOYSA-N 391.265 3.763 0 40 GHAB COc1ccc(CCS(=O)(=O)N(Cc2ccoc2)Cc2cccs2)cc1 90612213 KDSGPIQIRMGIDN-UHFFFAOYSA-N 391.514 3.924 0 40 GHAB Cc1nc(-c2ccccc2NC(=O)N[C@@H]2CCO[C@H]2c2nccn2C)cs1 585120202 UJLRDLBOMFNMCH-NVXWUHKLSA-N 383.477 3.504 0 40 GHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 7078109 FJZVJINCDIJDTC-XNFYSYIQSA-N 398.278 3.827 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1 5184704 DNWRYODLIPNROQ-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB O=C(Cc1cccc(Cl)c1)N1CCC(c2noc(-c3ccccn3)n2)CC1 12668585 IWEMVUXXQHUCCF-UHFFFAOYSA-N 382.851 3.734 0 40 GHAB CSc1nc2nc(C)c(CCC(=O)Nc3cccc4ncccc34)c(C)n2n1 12815863 LEKWKHUVLOXRKA-UHFFFAOYSA-N 392.488 3.583 0 40 GHAB O=C(Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1)c1cccc(F)c1 13368367 RWVJGXAQLJJZCW-UHFFFAOYSA-N 395.415 3.726 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714252 AXODZPLTLXFGPM-INIZCTEOSA-N 396.896 3.532 0 40 GHAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@H](C)c1ccccc1 14484840 PFHLIAXQMHHZAW-OXJNMPFZSA-N 385.483 3.714 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)CCCO3)cs1)c1ccnn1C(F)F 19346400 OVOZKYCPUDYYSW-UHFFFAOYSA-N 376.388 3.979 0 40 GHAB C[C@H](NC(=O)[C@H](C)c1ccccc1)c1nc2cc(-c3ccccc3F)ncn2n1 19459441 YFLRMUJMXVKKGS-CABCVRRESA-N 389.434 3.911 0 40 GHAB Cc1ncsc1C(=O)N1CCC(c2nc(C)c(-c3ccncn3)s2)CC1 19560700 ISZLYCIDMZJQSY-UHFFFAOYSA-N 385.518 3.693 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)Cc1ccc2c(c1)C[C@@H](C)O2 19578407 QEWLRGSVUZLALU-CQSZACIVSA-N 393.462 3.811 0 40 GHAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 8477177 ABSGTYCGSQUTAF-XSFVSMFZSA-N 390.439 3.670 0 40 GHAB Cc1nc(C)c(CN2C[C@@H](C(=O)O)[C@H](c3ccc(Br)cc3)C2)s1 652506396 LDRMPQNFEYUAGL-LSDHHAIUSA-N 395.322 3.823 0 40 GHAB COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C[C@H](C)O)ccc2c1 12185753 SECHKIQIANHRGT-INIZCTEOSA-N 379.456 3.960 0 40 GHAB C[C@H](C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1)c1ccccc1 12220848 IZGUZVMMBIONCE-INIZCTEOSA-N 387.483 3.843 0 40 GHAB NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(F)c2)C1 19293777 SPLLBBKTWFBMEF-XMMPIXPASA-N 389.474 3.808 0 40 GHAB CCOc1ccc(CN(C)C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 6938444 BFZDWRIDEBVXHO-UHFFFAOYSA-N 397.471 3.868 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)c1ccccc1I 15967039 YJXIBDUHAPOWMM-NSHDSACASA-N 381.213 3.791 0 40 GHAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Oc2ccccc2Cl)cc1 32756343 BPDPQDZPGRZNHR-ZDUSSCGKSA-N 379.865 3.896 0 40 GHAB Cn1ccc2cc([C@@H](O)CNC(=O)COc3ccc(Cl)cc3Cl)ccc21 252478482 ANIABIKSHWGGSJ-KRWDZBQOSA-N 393.270 3.714 0 40 GHAB Cc1ccc2nc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)sc2c1 4304201 YAIUFOODZMDIPU-UHFFFAOYSA-N 380.517 3.633 0 40 GHAB COc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)c1 7616016 LNVQNLHHDNZDBU-UHFFFAOYSA-N 385.423 3.711 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1cnc2c(C(F)(F)F)cccc2c1O 12421851 HOJQMNYFHILCFR-UHFFFAOYSA-N 390.317 3.998 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3ccc(F)c(F)c3)n2)cc1 13801280 REGAQKMCOZRYFC-UHFFFAOYSA-N 398.413 3.709 0 40 GHAB Cc1cc(S(=O)(=O)[C@H](CNC(=O)C2CCCCC2)c2ccco2)ccc1F 15781298 MOJUGUWACREKRF-LJQANCHMSA-N 393.480 3.939 0 40 GHAB CCOc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)COC)CCC2 22503057 JPIGOHSTGWCPBN-UHFFFAOYSA-N 383.448 3.655 0 40 GHAB Cc1ccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 22582328 ZBTFNMAUBVSRGO-HXUWFJFHSA-N 386.927 3.759 0 40 GHAB COc1ccc(NC(=O)CSc2ncccc2-c2nc(C)no2)cc1Cl 49407000 NTLALLAUEGMSLF-UHFFFAOYSA-N 390.852 3.833 0 40 GHAB COc1ccc(C[C@@](C)(O)CNC(=O)CCc2ccc(C(F)(F)F)cc2)cc1 206706827 JLIBAHKYWQGOMH-HXUWFJFHSA-N 395.421 3.757 0 40 GHAB COc1cc(C)c(CN(C)[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OC 8157378 SUHAAHLAVXXBOK-INIZCTEOSA-N 385.508 3.537 0 40 GHAB C[C@H]1C[C@H](Sc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)C(=O)O1 8191030 MNUMFQDQPZNASF-GUYCJALGSA-N 383.448 3.793 0 40 GHAB O=C1[C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 101265687 DVUPAHROSSIUSQ-MJGOQNOKSA-N 376.799 3.786 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)N2CCCC[C@H]2C)cc1 8279348 HHLSFGKOBPTDBB-MRXNPFEDSA-N 382.460 3.727 0 40 GHAB O=C(NCC1(c2ccccc2)CC1)c1cccc(I)c1 11749998 IMZSEGMGWZDUGP-UHFFFAOYSA-N 377.225 3.753 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 1364562 HSXDQXGWORLGGE-UHFFFAOYSA-N 394.500 3.943 0 40 GHAB O=C(CSc1nnc(NC(=O)C2CCC2)s1)Nc1ccccc1Cl 1381683 MKVDUCVASFPGDM-UHFFFAOYSA-N 382.898 3.661 0 40 GHAB Cc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 32754403 LXIMRLMMRNTMLW-QFIPXVFZSA-N 379.504 3.607 0 40 GHAB Cc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(O)c1 32731828 AIYYNNXWWOCDOH-UHFFFAOYSA-N 379.382 3.970 0 40 GHAB CC(=O)N[C@H]1C(=O)N(CCCOc2ccc(Cl)cc2Cl)c2ccccc21 4993171 LAFOOURCLAWFIG-GOSISDBHSA-N 393.270 3.986 0 40 GHAB CCCCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 6240629 YMRJZXWWXPOOIM-UHFFFAOYSA-N 389.443 3.545 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)CCc1ncc(-c2c(F)cccc2F)o1 21405387 SOVQLJUVSXTYKU-UHFFFAOYSA-N 399.441 3.930 0 40 GHAB CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCc2cc(OC)c(OC)cc2C1 32901289 VVIIIVWVGNSKNN-KRWDZBQOSA-N 387.480 3.556 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2cccc(OCc3cccs3)c2)CC1 32914284 VCIPTMUSFWPQTG-UHFFFAOYSA-N 388.489 3.678 0 40 GHAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(Cl)c2)no1 12028753 OSARGDWXFJAIDP-KRWDZBQOSA-N 383.835 3.616 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NN2CC=C(c3ccc(F)cc3)CC2)cc1 2728762 OFFJSHRTNKAJKW-UHFFFAOYSA-N 399.491 3.993 0 40 GHAB CCOC(=O)c1cnn2c(C(F)(F)Cl)cc(-c3ccc(OC)cc3)nc12 2786448 JDLONNMVPHTMOC-UHFFFAOYSA-N 381.766 3.870 0 40 GHAB Cc1nc(NC(=O)CSc2nnc(-c3ccco3)n2CC(C)C)sc1C 8389168 GJCXBRYWQRJKNK-UHFFFAOYSA-N 391.522 3.998 0 40 GHAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N[C@@H](C)c1cccc(-n2cccc2)c1 2804553 SZYZZSUKRBLBJB-LBPRGKRZSA-N 394.447 3.725 0 40 GHAB Cc1ccc(-c2nnc(SCc3cc(Cl)c4c(c3)OCCO4)n2N)cc1 8312368 DQMAGXWFKUKXTO-UHFFFAOYSA-N 388.880 3.684 0 40 GHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc(OC[C@@H]2CCCO2)c1 22609586 QRDXQCNJAPMQFU-XZOQPEGZSA-N 394.515 3.811 0 40 GHAB CCOc1ccc([C@H]2C[C@H](c3ccc(OC)c(OC)c3)n3ncnc3N2)cc1 803098 HHFWTJCXXSPCBI-QZTJIDSGSA-N 380.448 3.840 0 40 GHAB Cc1cc(C)cc(N(Cc2ccc(C(N)=O)cc2)Cc2ccc(C(N)=O)cc2)c1 42735706 ULDKCGBMTAJAND-UHFFFAOYSA-N 387.483 3.708 0 40 GHAB CC(C)c1nccc(C2CCN([C@@H](C)C(=O)Nc3ccnn3C(C)C)CC2)n1 89893780 DOIUVDYOUCFXND-INIZCTEOSA-N 384.528 3.584 0 40 GHAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 106524499 MYOHYPGQYZVOMJ-DCGLDWPTSA-N 381.303 3.714 0 40 GHAB O=C(NC1CCCCC1)[C@@H]1CCCN(C[C@H](O)c2cccc(C(F)(F)F)c2)C1 106576416 ZTCZIXZBNSDFHI-APWZRJJASA-N 398.469 3.900 0 40 GHAB O=C([C@@H](Nc1cccc(N2CCOCC2)c1)c1ccccc1)N1CCCCC1 56206343 RZXKLMTWSUQFSM-QFIPXVFZSA-N 379.504 3.689 0 40 GHAB Cc1c(C)c2ccc(OC(=O)CNC(=O)OCc3ccccc3)c(C)c2oc1=O 2091955 RPELYSOCVRAHDN-UHFFFAOYSA-N 395.411 3.550 0 40 GHAB biogenic COc1cc(C(=O)Nc2ccc3cn[nH]c3c2)ccc1OCc1cscn1 58210443 WUPKMOQZHUAXOY-UHFFFAOYSA-N 380.429 3.859 0 40 GHAB Cc1nn(Cc2cccc(C(=O)NCc3cccnc3)c2)c(C)c1Br 27970701 OLHUGGFTXLBAME-UHFFFAOYSA-N 399.292 3.636 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cc(F)cc(F)c2)cc1 10665128 WOQYFNMXBFSVHZ-UHFFFAOYSA-N 390.415 3.923 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](c3ccccc3)C(C)C)ccc21 12778865 BEOKBHRKQRLTSA-NRFANRHFSA-N 386.517 3.661 0 40 GHAB COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(SC)cc1 2440008 BERBDWWTPWFVRZ-SFHVURJKSA-N 399.443 3.846 0 40 GHAB CC(C)n1ncc2cc(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)cnc21 12770872 SPJGLWPETPTMCS-QGZVFWFLSA-N 384.505 3.895 0 40 GHAB O=c1c2ccsc2ncn1C[C@H](O)COc1ccc(Oc2ccccc2)cc1 12736210 WHSQAWUTVGNAJX-HNNXBMFYSA-N 394.452 3.690 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)N(C)[C@@H]2CCc3ccccc32)cs1 48230110 LDWVDFNDNSKPKA-GOSISDBHSA-N 395.484 3.985 0 40 GHAB Cc1c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)[nH]c2c1C(=O)CCC2 48304044 XTOUAEMRUIIJNM-UHFFFAOYSA-N 387.867 3.584 0 40 GHAB O=C(COc1ccccc1Cl)Nc1nc2ccccc2nc1N1CCCC1 12879776 LVEUVMPBERBPSB-UHFFFAOYSA-N 382.851 3.901 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)c3ccccc3C(=O)c3cccs3)cc2NC1=O 12814797 FFWMRNLNPUIWPF-GFCCVEGCSA-N 392.436 3.951 0 40 GHAB C[C@H](NCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)c1ccc2c(c1)OCCO2 12996604 XRTJIBQYZVOVRU-DLBZAZTESA-N 394.515 3.865 0 40 GHAB C[C@H]1CCc2nc(NC(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)sc2C1 12914806 DZPMGWHLQMBUBD-STQMWFEESA-N 389.546 3.820 0 40 GHAB Cc1ccc([C@@H](NC(=O)Cn2cnc3sccc3c2=O)c2cccs2)cc1 12940341 SPFRUWLSFLRUQU-GOSISDBHSA-N 395.509 3.734 0 40 GHAB CCOc1cc(C(=O)N(CC)CC)cc(I)c1OCC 409377903 KGVPLVPXBLVBRP-UHFFFAOYSA-N 391.249 3.571 0 40 GHAB COC[C@H](C)NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 13140162 ZCAYGZXFEBLCGS-INIZCTEOSA-N 383.517 3.522 0 40 GHAB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@H](c1cccc(Cl)c1)N1CSC[C@@H]21 13395513 KRCZASBHGOCUQV-MLHJIOFPSA-N 384.888 3.575 0 40 GHAB COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)cc1OC 4194608 UMWOMZJAZLISFF-UHFFFAOYSA-N 398.440 3.851 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)OCC(=O)N2CCCc3ccccc32)cc1 6030154 KVQOCSXLBOVFEU-UHFFFAOYSA-N 381.472 3.886 0 40 GHAB Nn1c(SCC(=O)Nc2cccc3ccccc23)nnc1C1CCCCC1 5047386 UFOLUHLNRCGELR-UHFFFAOYSA-N 381.505 3.924 0 40 GHAB O=C(c1ccc(Cl)cc1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 5100918 DCNASUKDINPVJM-KRWDZBQOSA-N 398.311 3.823 0 40 GHAB O=C(C1CCN(Cc2sc3ccccc3c2Cl)CC1)N1CCOCC1 14018239 MJMDMLVWDIENNA-UHFFFAOYSA-N 378.925 3.626 0 40 GHAB CCCCn1c(S[C@@H](C)C(=O)N[C@@H](CCC)c2ccccc2)n[nH]c1=O 14247902 YKCTXZLJUXCLQN-HOCLYGCPSA-N 376.526 3.510 0 40 GHAB C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)NC(c1ccccc1)c1ccccc1 4625374 MJLWFWCJUSOXEQ-FXAWDEMLSA-N 379.504 3.913 0 40 GHAB COc1cc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)c(OC)cc1Cl 4626591 FWSCODRNSJLXIA-UHFFFAOYSA-N 392.864 3.766 0 40 GHAB CCOC(=O)/C(=C\c1cccc2ccccc12)C1=Nn2c(C)nnc2SC1 6628309 BRGHYIUWXKBVSQ-BOPFTXTBSA-N 378.457 3.696 0 40 GHAB CCc1ccc2c(CN3C(=O)N[C@@](C)(c4ccc(C)cc4)C3=O)cc(=O)oc2c1 6790826 XBIIWVMQHPECSO-QHCPKHFHSA-N 390.439 3.631 0 40 GHAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3nc4ccc(F)cc4s3)n2)c1 6747778 YFSGALXFRVASAG-UHFFFAOYSA-N 380.404 3.542 0 40 GHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)C12CC3CC(CC(C3)C1)C2 6881683 DZQPZWZCNOAXHH-UHFFFAOYSA-N 394.437 3.760 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCc1cccs1 5959645 BIYPGGIBHCPLNN-UHFFFAOYSA-N 386.498 3.503 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 7307979 UHGCKBSQLGBKGX-LBPRGKRZSA-N 384.295 3.887 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)OCCO2 9754470 YPWCJERFNUVKGX-UHFFFAOYSA-N 397.349 3.754 0 40 GHAB CCOCCCNC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 9485371 PEMYGPLRLIBGKL-UHFFFAOYSA-N 395.455 3.690 0 40 GHAB biogenic COc1cc(OC)c(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1Cl 9652310 WFFCTGVVJQGHEP-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1coc(-c2ccccc2)n1)c1ccccc1 72310569 XMACIAVNAUBFNU-MGPUTAFESA-N 378.428 3.551 0 40 GHAB COc1ccc2[nH]cc(C3=CCN(Cc4nc(CC(F)(F)F)no4)CC3)c2c1 95405115 WKYWHYGIGQARQS-UHFFFAOYSA-N 392.381 3.954 0 40 GHAB COc1ccc(-c2csc3ncnc(N[C@@H](C)CC[S@](C)=O)c23)cc1 78967813 MKUVHVCMIPRGCB-UOXLDJKESA-N 375.519 3.936 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CC3)ccc2Cl)c1C 408547816 NIBVGITVEWDBPP-UHFFFAOYSA-N 378.881 3.650 0 40 GHAB CC(C)n1cnc([C@H]2CN(Cc3cccs3)C[C@@]23CCN(CC2CC2)C3=O)c1 306124226 BJVXEPXYYFNYCE-KNQAVFIVSA-N 398.576 3.754 0 40 GHAB CCOc1ccc2c(c1)SC1=NC(C(F)(F)F)(C(F)(F)F)NC(=O)N12 4601457 JQUHIRFAUFJJIN-UHFFFAOYSA-N 385.289 3.898 0 40 GHAB O=S(=O)(c1cccc(Br)c1)N1CCC[C@H](Oc2ccccc2)C1 500116737 VLYDCIFZHGLVMC-INIZCTEOSA-N 396.306 3.681 0 40 GHAB O=C(Nc1ccc(F)cc1Cl)c1nc2ccccc2nc1N1CCOCC1 32642989 SEFPSKJDIYASLN-UHFFFAOYSA-N 386.814 3.511 0 40 GHAB COC(=O)c1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(OC)cc2)cc1 36358419 AINDPNFUEYQFEW-QGZVFWFLSA-N 377.400 3.791 0 40 GHAB COC(=O)C[C@H](CC(C)C)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O 524730167 YCGOAOCXCPLQEY-SFHVURJKSA-N 399.487 3.597 0 40 GHAB biogenic Cc1cccc2c(=O)n(CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)cnc12 36397632 QYVBNORPGDLOQF-JOCHJYFZSA-N 393.462 3.892 0 40 GHAB Cc1ccc(CN2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 39758101 AVXMFYRZPAIAGI-UHFFFAOYSA-N 395.522 3.695 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCc4ccncc4)c(C)c3cc12 79192843 RINQBCYYIPZTLH-UHFFFAOYSA-N 390.439 3.761 0 40 GHAB biogenic CCN(CC)S(=O)(=O)c1ccc(NC(=S)Nc2cccc(F)c2C)cc1 71326045 MGNJGPOBTVTHIR-UHFFFAOYSA-N 395.525 3.974 0 40 GHAB O=C(CCCNC(=O)c1cccs1)Nc1ccccc1NCC(F)(F)F 48302180 KUMYTAFUTMUIRZ-UHFFFAOYSA-N 385.411 3.871 0 40 GHAB O=C(NCCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1)c1cccnc1 72390504 OUYKAZRXTXQLSV-UHFFFAOYSA-N 387.418 3.576 0 40 GHAB Cc1ccc2c(C(=O)Cn3nc(-c4cccs4)ccc3=O)c(C)n(C)c2c1 49545924 YEOWNCSJDMHWLD-UHFFFAOYSA-N 377.469 3.963 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C 223151050 CDMAGUDOFFSWTB-GOSISDBHSA-N 388.895 3.581 0 40 GHAB CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224841353 GABNNEAYHZJZBV-UHFFFAOYSA-N 388.272 3.980 0 40 GHAB CSc1ncc(-c2nnsc2C(=O)OCc2ccccc2Cl)cn1 223857074 XIMPKIZDQDGUQQ-UHFFFAOYSA-N 378.866 3.727 0 40 GHAB CCOCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1 225572218 QCOCFOHTVJEMRL-UHFFFAOYSA-N 387.451 3.928 0 40 GHAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 223630112 KCMSUKMPCWEEJT-VQTJNVASSA-N 379.485 3.697 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 48064977 LJEAGAABIOFZLP-LFYBBSHMSA-N 397.450 3.756 0 40 GHAB NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1 44085385 BBSAGBNCNSUKED-UHFFFAOYSA-N 388.290 3.879 0 40 GHAB COc1cccc(OCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 224481333 DZJRRHLPTRKKBJ-UHFFFAOYSA-N 399.468 3.845 0 40 GHAB COc1ccc(S(=O)(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1C 222993785 MXUOMNHXOGYCGV-LBPRGKRZSA-N 396.306 3.906 0 40 GHAB O=C(NCCc1ccccc1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225735285 GLIFFDLZYXDRIV-INIZCTEOSA-N 379.382 3.506 0 40 GHAB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 224584989 KBLLWYDQWZQGLS-QHCPKHFHSA-N 396.531 3.555 0 40 GHAB COCCCN1CN(c2ccc(Cl)cc2Cl)c2nc(C)c(C)c(=O)n2C1 96305507 VJPUASTUJDTXPS-UHFFFAOYSA-N 397.306 3.572 0 40 GHAB COc1cccc(CC(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c1 90607569 NKWKZQKVWKOYJR-UHFFFAOYSA-N 394.393 3.722 0 40 GHAB Nc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)CCCc3ccc(F)cc3)C2)ccn1 257219978 DJAVTGQWZXROHT-QGZVFWFLSA-N 393.466 3.532 0 40 GHAB C[C@]12CCN(C3CCOCC3)[C@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 257270774 MVPWNOUPUQIPJR-ICSRJNTNSA-N 396.453 3.840 0 40 GHAB Cc1ncsc1-c1ncccc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2C 257260791 LEJJQDSJFNTSRS-UWJYYQICSA-N 384.549 3.993 0 40 GHAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CN(Cc3cnn(C)c3)CCO2)n1 257216915 CWQPPSQWMWVYQB-QHCPKHFHSA-N 376.504 3.596 0 40 GHAB O=C(O)[C@H](CNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21)Cc1ccc2ccccc2c1 630140741 NLIKIJYQDZLUQR-KZKAQZJJSA-N 385.463 3.785 0 40 GHAB CC(C)(C)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 1211602557 ADSGAQDYEFPGKK-UHFFFAOYSA-N 398.528 3.965 0 40 GHAB O=C(CSc1nc2ccccc2s1)Nc1ccccc1-c1ccc(=O)[nH]n1 90613950 UFVAXIZTWBQAOD-UHFFFAOYSA-N 394.481 3.777 0 40 GHAB O=C(c1ccncc1)N1CCC[C@]2(CCCN2c2ncnc3ccccc23)CC1 585100029 CQQZSENNSDNQAR-QHCPKHFHSA-N 387.487 3.690 0 40 GHAB O=C(N1CCC2(CC1)OCCO2)N(Cc1ccco1)c1ccc(F)cc1F 56675585 RDMRPTJWKUEYLZ-UHFFFAOYSA-N 378.375 3.523 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)c2ccc(C)s2)cc1 5150437 AALAVJIHYBBMLK-UHFFFAOYSA-N 375.446 3.600 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)s1 11513039 XMHSZGJJEYACFC-UHFFFAOYSA-N 378.500 3.836 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)c(C)c1C 12852780 IYCUIVRBTLQYLB-UHFFFAOYSA-N 397.544 3.952 0 40 GHAB CCOc1ccc(OCCC(=O)O[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 15225185 VEFNGSKSVPXAEO-MRXNPFEDSA-N 399.443 3.627 0 40 GHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)C)cc(N(C)C)n1 19240833 OTSBDBOWMYSZKS-SFHVURJKSA-N 379.508 3.778 0 40 GHAB NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CCCC2)C1 19333473 DOPSTDLEFQGCLQ-JOCHJYFZSA-N 382.529 3.852 0 40 GHAB COc1ccc(OC)c(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c1 19589278 UCFMSTLEKCDDBY-MQSCRBSSSA-N 384.495 3.905 0 40 GHAB CN1CCc2nc([C@H]3CCN(C(=O)c4ccccc4-c4ccccc4)C3)ncc2C1 19590645 JRFANEOTSZEVPJ-IBGZPJMESA-N 398.510 3.761 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc(-c2ccc(F)cc2)no1 19659396 NMYXEIFPMQLISX-UHFFFAOYSA-N 395.434 3.590 0 40 GHAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(C)(C)C)cc2)nn1 1888860332 YYXBQJQLXUDRMQ-YOFSQIOKSA-N 382.508 3.730 0 40 GHAB COc1ccccc1C(=O)NCC(=O)N1CCC(CCc2ccc(C)cc2)CC1 21128857 QSPHDERUMIZRJF-UHFFFAOYSA-N 394.515 3.605 0 40 GHAB CSc1ncc(C(=O)NC[C@@H]2COc3ccccc3C2)n1-c1ccccc1 28075338 YXSGDKGSPGXZSG-OAHLLOKOSA-N 379.485 3.575 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1ccccc1F 4341533 RQCBGWSFJLFTNO-UHFFFAOYSA-N 397.410 3.825 0 40 GHAB Cn1/c(=N\C(=O)[C@H]2COc3ccccc3O2)sc2c3ccccc3ccc21 11726306 VKJHDXWFMRBKBQ-KHOFPDMRSA-N 376.437 3.660 0 40 GHAB COc1ccc(CN2CCC[C@@H](COc3ncc(Br)cn3)C2)cc1 1775976005 SSSXVQBFGCBLQJ-OAHLLOKOSA-N 392.297 3.539 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)cc1Cl 101079184 VCBXENGGWGLZRS-GFCCVEGCSA-N 390.892 3.846 0 40 GHAB Cc1cccc(NC(=O)Cn2nc(C(C)C)c3cnn(C(C)(C)C)c3c2=O)c1C 35589880 XDURSRLKKUQJSM-UHFFFAOYSA-N 395.507 3.727 0 40 GHAB COc1ccccc1NC(=O)N1CCC(CNC(=O)/C=C/c2cccs2)CC1 44004736 TZIJNCFYHCSLRV-CMDGGOBGSA-N 399.516 3.830 0 40 GHAB CCOc1ccc(N2CCN(CC(=O)Nc3cccc4cccnc34)C2=O)cc1 49386654 FAHFNYKHSULBPC-UHFFFAOYSA-N 390.443 3.514 0 40 GHAB COc1ccccc1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 17079037 NDJSSXKTKFYSLF-UHFFFAOYSA-N 387.233 3.864 0 40 GHAB CC[C@H](C(=O)NC1CCN(c2nc(C)nc3c2CCCC3)CC1)c1ccccc1 225739911 RFCBVOJENYNTGS-FQEVSTJZSA-N 392.547 3.943 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccc(NC(N)=O)cc2)cn1 40091101 DIGZEEPSPYUCKN-UHFFFAOYSA-N 392.415 3.934 0 40 GHAB Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(Br)cc1 40146479 DIUAHJWQSMVUNG-UHFFFAOYSA-N 375.251 3.923 0 40 GHAB CNc1snc(C)c1C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 31412886 MCQZXVUGUSPFLC-UHFFFAOYSA-N 384.461 3.728 0 40 GHAB CCCOc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)cc1 31820592 ORTCDICCXSKPSA-HNNXBMFYSA-N 379.420 3.589 0 40 GHAB CC(C)c1cc(NC(=O)CSc2nnc(NCc3ccccc3)s2)on1 11409990 NYYFMCJBSYVVNK-UHFFFAOYSA-N 389.506 3.992 0 40 GHAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)N1CCCC[C@H]1C 904865 CQTRIHNHPKCRDO-MRXNPFEDSA-N 388.537 3.679 0 40 GHAB CC[C@@H](C)N(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 1365726 SGRDDAZIWFPEJR-CZUORRHYSA-N 385.430 3.761 0 40 GHAB CCc1ccc2c(c1)c1nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc1n2C 1366163 ZGABUYRQOMVFEA-BBRMVZONSA-N 397.548 3.866 0 40 GHAB O[C@@H](SCCS[C@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1733390 OZOHNCXPOOYEJV-IMJSIDKUSA-N 388.980 3.830 0 40 GHAB CCOc1ccc2nc(NC(=O)CCCC(=O)OCC(F)(F)F)sc2c1 2746551 BRROWIAEPKTCOK-UHFFFAOYSA-N 390.383 3.909 0 40 GHAB CCCCn1nc(C(=O)Nc2ccc(OCC)c(OC)c2)c2ccccc2c1=O 32497427 RWJPGQBOUZEYFV-UHFFFAOYSA-N 395.459 3.856 0 40 GHAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(=O)n(C)n4)cc3)sc2c1 2623373 FLJXTZAURHAAGQ-UHFFFAOYSA-N 376.441 3.618 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 32678959 CXVLEHBNYWEAEY-CQSZACIVSA-N 377.444 3.751 0 40 GHAB CCCCNC[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]21 4429917 IJYOEYVFODZMCS-HLZYPZQWSA-N 381.564 3.864 0 40 GHAB COCCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccco1 4861153 IJEPQQXUZHNGRI-UHFFFAOYSA-N 392.868 3.569 0 40 GHAB COCCN(C(=O)CCc1ccccc1)c1nnc(-c2ccc(OC)cc2)s1 4881045 XXYNITDYYSAZMZ-UHFFFAOYSA-N 397.500 3.826 0 40 GHAB CC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 32747879 YBSSVKLJQQCYLQ-JTQLQIEISA-N 393.203 3.665 0 40 GHAB CCOc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(Cl)c1O 6958883 AYDUTOMKOQNGBE-UHFFFAOYSA-N 390.936 3.938 0 40 GHAB CSc1nc(N2CCCC2)c2cc(C(=O)N3CCC(C)CC3)sc2n1 7604279 NSUCVTUAILJMLE-UHFFFAOYSA-N 376.551 3.886 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)c1cc2c(s1)CCCCC2 7777494 PKNHNUHHMQQXJG-UHFFFAOYSA-N 375.490 3.973 0 40 GHAB COc1ccccc1[C@@H](NC(=O)N[C@@H](C)CCc1ccccc1)c1nccn1C 32802554 SVCGDQONSZZHDR-LAUBAEHRSA-N 392.503 3.839 0 40 GHAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cnc2ccccn2c1=O 32900167 SZDLJFCGKBGZHJ-UHFFFAOYSA-N 389.386 3.556 0 40 GHAB CCc1ccc(C(=O)COC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)cc1 32954692 LRMYEXDISITNRT-OAQYLSRUSA-N 381.472 3.738 0 40 GHAB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)c1ccccc1 8203095 PHBSIKQFDWIICF-UHFFFAOYSA-N 394.500 3.511 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 8318160 HEZJDBKIBLJIEU-UHFFFAOYSA-N 387.288 3.561 0 40 GHAB CCOc1cc(NC(=S)NCc2ccco2)c(OCC)cc1NC(=O)CC 8685860 HQMOQLPLBJRVCW-UHFFFAOYSA-N 391.493 3.912 0 40 GHAB Cn1ccs/c1=N/C(=O)c1cccnc1Oc1ccc(Br)cc1 103190624 WSPCFTFOQZAXDG-KNTRCKAVSA-N 390.262 3.778 0 40 GHAB C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C)C(N)=O 9944411 JHNJVTVFKSMOJN-CMPLNLGQSA-N 378.567 3.661 0 40 GHAB CCCCN1C(=O)C[C@H](C(=O)Nc2cccc(C)n2)[C@H]1c1ccc(OC)cc1 22691224 ADCWGIBOKJOBCL-GHTZIAJQSA-N 381.476 3.727 0 40 GHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3csc(-c4ccco4)n3)c2)n1 47317209 XJXUNHPZWSCCJD-UHFFFAOYSA-N 378.413 3.714 0 40 GHAB Cc1c(C(=O)/N=c2/sccn2Cc2ccccc2F)[nH]c2c1C(=O)CCC2 105386924 WXSZAHIEUPMVTO-BSYVCWPDSA-N 383.448 3.634 0 40 GHAB CC(=O)NCc1ccc(C(=O)/N=c2/sccn2Cc2ccccc2Cl)cc1 24106328 CEWQYPCXLSCDAK-BSYVCWPDSA-N 399.903 3.629 0 40 GHAB COc1ccc(NC(=O)c2ccccc2NC(=O)COc2cccc(C)c2)cn1 58149007 QZLDPIYCLDMWKP-UHFFFAOYSA-N 391.427 3.668 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CN(C)c1cccc3ccccc13)CC2 55020151 XTTMIRGVMKLSCQ-UHFFFAOYSA-N 390.483 3.878 0 40 GHAB O=C(COc1ccc(Nc2ccccc2)cc1)NCCc1ccc2c(c1)OCO2 12555848 LXKAQWNYSOVOFX-UHFFFAOYSA-N 390.439 3.897 0 40 GHAB O=C(c1ccco1)N1C[C@H]2CCC[C@H](C1)C2n1nc(-c2ccccc2)ccc1=O 100726946 YWROPUIIZJCNSN-QZTJIDSGSA-N 389.455 3.617 0 40 GHAB Cn1c(-c2ccccc2)c(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c2ccccc21 103066423 AQUHJRHNDBDAEH-HDICACEKSA-N 398.462 3.979 0 40 GHAB CCc1cc(=O)n(CC(=O)N2CCCC[C@@H]2CC)c(-c2cccc(Cl)c2)n1 57527537 HCEAFALEUQXWRP-SFHVURJKSA-N 387.911 3.917 0 40 GHAB CC(=O)c1ccc(OC[C@H](O)CN(Cc2ccccc2)Cc2ccco2)cc1 25661462 NNFQAOVMRRIKGL-OAQYLSRUSA-N 379.456 3.924 0 40 GHAB C[C@H](CNC(=O)c1ccc(Br)s1)N1CCc2ccccc2C1 25939658 KJZZTTMROHZAQO-GFCCVEGCSA-N 379.323 3.687 0 40 GHAB C[C@H](NC(=O)NCCc1cn2ccccc2n1)c1cccc(C(F)(F)F)c1 26288289 ABGZVGUMCBXCTK-ZDUSSCGKSA-N 376.382 3.956 0 40 GHAB O=C(COC(=O)Cc1ccsc1)Nc1ccccc1C(=O)c1ccccc1 3250493 KBHMYMHQTARKCO-UHFFFAOYSA-N 379.437 3.704 0 40 GHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2O)CC1 26528547 SISWYYSCJGHMMS-AWEZNQCLSA-N 376.909 3.875 0 40 GHAB CC(C)C(=O)Nc1nc(CC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cs1 44309505 PJWBHCXDPXKHNG-UHFFFAOYSA-N 399.438 3.958 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)c1cccc(Br)c1 20029834 UHHVKRFKXRFEOO-LBPRGKRZSA-N 384.295 3.806 0 40 GHAB Cc1ccc(S(=O)(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)cc1 2030939 LTMJZNLWDXSUAG-UHFFFAOYSA-N 379.441 3.805 0 40 GHAB Cc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)c1ccc2c(c1)OCCO2 58173389 NIXVATWOKQFCLV-UHFFFAOYSA-N 381.881 3.633 0 40 GHAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccccc1F)C[C@H]1CCCO1 27990924 NTTVCMJRBHWNAD-MRXNPFEDSA-N 399.393 3.893 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC 12602353 QTVBCMDOCUIRCN-NCUBBLFSSA-N 377.444 3.957 0 40 GHAB c1ccc(-n2ncc3c(SC[C@@H]4COc5ccccc5O4)ncnc32)cc1 12680798 OSGGSXDPOIYFMD-HNNXBMFYSA-N 376.441 3.748 0 40 GHAB CCCCN1C(=O)CC[C@@H](C(=O)NCc2ccco2)[C@@H]1c1ccc(OC)cc1 8429035 CMRPEOXBNXOTQM-CTNGQTDRSA-N 384.476 3.684 0 40 GHAB CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 113896055 FYUVUIQZCUKPNA-UHFFFAOYSA-N 381.881 3.715 0 40 GHAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 22655129 CVYDHTSDRYZCQE-UHFFFAOYSA-N 380.488 3.920 0 40 GHAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CC2=O)cc1 36626713 FRXWONAMUSYVHP-ZDUSSCGKSA-N 392.286 3.871 0 40 GHAB O=C(COC(=O)/C=C/c1cccc(Br)c1)Nc1ccc(F)cc1 3361481 TWYBIYLEQFHVRI-RUDMXATFSA-N 378.197 3.783 0 40 GHAB COC[C@@H](C)n1c(Sc2ncnc3sccc23)nc2ccccc2c1=O 3356066 MJVUFJNOTPBDMX-LLVKDONJSA-N 384.486 3.760 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 12796100 NSCGMMPASMSOTP-NSHDSACASA-N 379.243 3.994 0 40 GHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)NCCSC3CCCC3)c2)n1 48301362 MCFBIZICOBYFSY-UHFFFAOYSA-N 386.521 3.797 0 40 GHAB COc1cc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)cc(OC)c1 12814031 RQNHVCOKAXRWNB-ZDUSSCGKSA-N 385.489 3.945 0 40 GHAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](C)Oc1cccc(C)c1 12849571 LMQJRDQLMKRECW-QGZVFWFLSA-N 393.487 3.828 0 40 GHAB COc1cc(CC(=O)Nc2ccc(Br)cc2F)cc(OC)c1OC 3411180 QQWCCLJQVHYMDA-UHFFFAOYSA-N 398.228 3.795 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](C)c3ccc(Cl)cc3)ccc21 12935637 SPUNBLDQDLIHPV-CYBMUJFWSA-N 392.908 3.679 0 40 GHAB COc1cc(Br)c(OC)c(C(=O)Nc2ccc(OC)c(OC)c2)c1 12927858 QKAQTFGPNAWZLY-UHFFFAOYSA-N 396.237 3.736 0 40 GHAB CCC(=O)N(c1nnc(SCCC(=O)Nc2ccccc2F)s1)C1CC1 12907675 BNEQAPXYMOBJKD-UHFFFAOYSA-N 394.497 3.704 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CCn1c(=O)oc2ccccc21 4121577 AFNSWGQAZUFWMK-UHFFFAOYSA-N 375.222 3.694 0 40 GHAB O=C(CSc1nnc2n1CCCCC2)N1CCC(Cc2ccccc2)CC1 6098172 BNUTZBHSJFYJLB-UHFFFAOYSA-N 384.549 3.578 0 40 GHAB COc1cccc(N2CCN(C(=O)c3oc4ccc(OC)cc4c3C)CC2)c1 5199658 CMWQNOYXBOVWLG-UHFFFAOYSA-N 380.444 3.721 0 40 GHAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)c1 5323389 VZWNOTFHEGEXJO-IBGZPJMESA-N 388.379 3.848 0 40 GHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CC=C(c2ccccc2)CC1 14181493 HLIFAKKHXHFDDP-UHFFFAOYSA-N 382.847 3.954 0 40 GHAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 14171466 ZCXFKZLYEYQMGB-HSZRJFAPSA-N 391.515 3.896 0 40 GHAB O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccccn1 4555117 DXEDIZNAAHBXGS-XMMPIXPASA-N 386.451 3.522 0 40 GHAB Cc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(-n3cccc3)cc2)c(C)c1 6589704 ZZICVFJGNHJQCR-UHFFFAOYSA-N 391.427 3.599 0 40 GHAB COc1ccccc1C(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 14801348 QPDSIOMKYZEWOK-UHFFFAOYSA-N 399.450 3.774 0 40 GHAB C[C@@H]1CCN(C(=O)COc2ccc(Cl)cc2C(N)=O)c2ccccc2S1 7022744 FOPWWXIYTXVUPI-GFCCVEGCSA-N 390.892 3.735 0 40 GHAB CC(C)NC(=O)Nc1ccccc1C(=O)NCCOc1ccc(Cl)cc1 15538325 WZBAZXDGJXAXJZ-UHFFFAOYSA-N 375.856 3.679 0 40 GHAB Cc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)c1C 7283234 YLXLJNBRFCHTFM-IAQYHMDHSA-N 392.521 3.565 0 40 GHAB COc1ccc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c2ccccc12 96002227 JYUVRDNZZKRQEJ-SBUREZEXSA-N 388.467 3.798 0 40 GHAB O=C(N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1)[C@H]1CCCCS1(=O)=O 96011202 BBUVGCFEKLRHQU-RTBURBONSA-N 397.968 3.915 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 16019583 CYIMXGFROLTRJJ-KRWDZBQOSA-N 387.439 3.790 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](O)c3cc(F)ccc32)c2cccnc12 96006751 ADVPYIOFEWYVOS-SFHVURJKSA-N 386.448 3.705 0 40 GHAB CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(OC)cc1 96005557 GEEKFDGWZADAKP-MRXNPFEDSA-N 377.485 3.949 0 40 GHAB Cc1ccc([C@H]2COCCN2Cc2ccccc2N(C)C2CCN(C)CC2)o1 93459906 LCEOKQOEDNAAQT-JOCHJYFZSA-N 383.536 3.692 0 40 GHAB Cc1nnc2sc(-c3ccccc3NC(=O)Cc3ccc(Cl)cc3)nn12 21595611 OVDKSNTWIILJBV-UHFFFAOYSA-N 383.864 3.996 0 40 GHAB Cc1nn2c(nnc3c(=O)n(-c4cccc(F)c4)ccc32)c1-c1ccc(F)cc1 19962674 DCUWGNAOSMAYDK-UHFFFAOYSA-N 389.365 3.682 0 40 GHAB O=C(CN(CCC(F)(F)F)C1CCCCC1)NC(=O)NCc1ccccc1 79055967 RPOQBNCUYSQBTA-UHFFFAOYSA-N 385.430 3.600 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc(F)c(F)c(F)c2F)c(C)c1 21320021 KWYIRAJPOJWDJL-UHFFFAOYSA-N 382.357 3.879 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 409383752 DXGVSFXSEZHUMB-ZDUSSCGKSA-N 380.897 3.978 0 40 GHAB Cc1ncc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1C(N)=O 1535092148 UWWVFFINCNOVTC-UHFFFAOYSA-N 382.423 3.956 0 40 GHAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 533478938 SGHLKQBABWSGAX-INIZCTEOSA-N 392.478 3.838 0 40 GHAB COc1ccc(CCN2CCOc3nc4c(C)cccc4cc3C2)cc1OC 72392268 ULLBXVOJBHXYSV-UHFFFAOYSA-N 378.472 3.998 0 40 GHAB O=C(NCCCN1CCCCCC1)C1CCN(Cc2ccccc2Cl)CC1 39761899 JNPILDHSLXTFLC-UHFFFAOYSA-N 391.987 3.934 0 40 GHAB COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(C)=O 72370673 RTAMTYINFPHHDW-MRXNPFEDSA-N 388.533 3.611 0 40 GHAB CCc1nccn1-c1cccc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 72378856 SXAHWHVYLPQJGQ-KRWDZBQOSA-N 378.451 3.989 0 40 GHAB CCn1c(=O)n(CC(=O)N(Cc2ccco2)c2ccc(C)cc2)c2ccccc21 32847922 TUSXPPOFYVLUSR-UHFFFAOYSA-N 389.455 3.958 0 40 GHAB CCn1ccnc1CN1CCC(c2nccnc2Oc2cccnc2C)CC1 72384462 FSYAAAMECUZFHD-UHFFFAOYSA-N 378.480 3.568 0 40 GHAB O=C(CN(C(=O)c1csnn1)c1cccc2c1CCCC2)NC1CCCCC1 35312139 QEKKINSFCRQBCJ-UHFFFAOYSA-N 398.532 3.513 0 40 GHAB O=C(CCc1csc2nc(C3CC3)cn12)N1CCN(c2ccccc2F)CC1 70655566 BIYISTYBZHNLPD-UHFFFAOYSA-N 398.507 3.694 0 40 GHAB COC(=O)c1c(NS(=O)(=O)c2ccc3ccccc3c2)sc2c1CCC2 40945494 AKFDUURILJMYNF-UHFFFAOYSA-N 387.482 3.977 0 40 GHAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3sncc3c2)cc1 222998401 PLVYNGKOAUPVOE-UHFFFAOYSA-N 377.447 3.666 0 40 GHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)S1 222600796 VSUZGBJXGXKHDM-XPGWFJOJSA-N 375.501 3.916 0 40 GHAB Cc1ccc(CS(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 223641627 WLSRCAHSVYFQST-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 222965265 YQMGNGOVPQWQCO-GOSISDBHSA-N 376.859 3.575 0 40 GHAB CSc1ccc(S(=O)(=O)NCC2CCCCC2)cc1C(=O)N1CCCC1 224320247 TWRSFBOMSNLLLA-UHFFFAOYSA-N 396.578 3.503 0 40 GHAB O=C(c1cccc(C(F)(F)F)c1)N1CCCn2cnc(CN3CCCC3)c2C1 96259318 HMTOCHICEMQCIS-UHFFFAOYSA-N 392.425 3.544 0 40 GHAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 257244488 ILOCGIAKPIEIFF-GOSISDBHSA-N 395.478 3.525 0 40 GHAB CC1(C)CC2(CCN(CC(=O)Nc3nc4ccc(F)cc4s3)CC2)CO1 257278221 OBISQBWCRWFWCO-UHFFFAOYSA-N 377.485 3.655 0 40 GHAB Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C(=O)NCC(C)C 260625055 YNQBHAPHEYSPKV-MRXNPFEDSA-N 386.517 3.521 0 40 GHAB O=C(CCCCCc1ccc(I)cc1)N1C[C@@H]2C[C@H]2C1 600218355 HUYAIPZPMOMQQS-GJZGRUSLSA-N 383.273 3.872 0 40 GHAB CC12CC(CN1C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)C2 663638974 TVADGTGLNHOEQT-LWGFOQHQSA-N 395.425 3.563 0 40 GHAB COc1cc(NC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)cc(Cl)c1OC 667287933 VAOUPQZSWMOYMI-IAOVAPTHSA-N 376.815 3.956 0 40 GHAB O=C1COc2cc(C(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)ccc2N1 618118042 QSLXNDOAYHAZOF-INIZCTEOSA-N 375.428 3.519 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc(N3CC[C@H](OC)C3)cc2)c(OC)c1 96122247 DAFITALYLCMTMZ-FQEVSTJZSA-N 384.476 3.500 0 40 GHAB CC1(C)CC[C@H]2CN(S(=O)(=O)c3cccc(OC(F)F)c3)CC[C@@]2(C)O1 585286789 UZKPLBVRNMVYIO-SCLBCKFNSA-N 389.464 3.646 0 40 GHAB CC(C)=C[C@@H]1[C@H](C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)C1(C)C 69740085 ALCQNXZRLCIPBU-YLJYHZDGSA-N 385.504 3.818 0 40 GHAB COc1ccc(N[C@@H]2CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)c(OC)c1 95943609 PZVKXRSGPPQELZ-HUUCEWRRSA-N 380.444 3.723 0 40 GHAB O=C(c1ccco1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 5142234 FACKGUPCBPTTDH-UHFFFAOYSA-N 379.397 3.860 0 40 GHAB COc1ccc(CNc2c(-c3ccc(O)c(OC)c3)nc3cnccn23)cc1 12113769 MLQZYMZDXWALLG-UHFFFAOYSA-N 376.416 3.731 0 40 GHAB CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715201 WQEXYQFNTOCJDQ-MRXNPFEDSA-N 384.860 3.662 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 14214592 ZZPIGJCZXCLRQJ-CQSZACIVSA-N 390.439 3.695 0 40 GHAB COc1ccc(NC(=O)[C@H](C)N(C)CCOc2ccc(F)cc2)cc1Cl 15101709 KQHIMHLXOQBTQO-ZDUSSCGKSA-N 380.847 3.826 0 40 GHAB COc1ccc(Cn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1OC 15922097 SEBGAUHFKISSQW-UHFFFAOYSA-N 391.427 3.625 0 40 GHAB C[C@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc2c(c1)OCCO2 18109783 JWGLVCYQIJCWJW-AWEZNQCLSA-N 396.468 3.984 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 19345497 ARCDWAQPVFXBRZ-CYBMUJFWSA-N 383.429 3.547 0 40 GHAB Cc1nn(C)cc1[C@@H](C)NC(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 654452311 RFWQVXIFBOSTPG-LLVKDONJSA-N 382.386 3.677 0 40 GHAB O=C(CCSc1ccc(Cl)cc1)N1CCN(c2ccc(O)cc2)CC1 3307300 NWFKXYYFNGXVMP-UHFFFAOYSA-N 376.909 3.877 0 40 GHAB COC(=O)c1cc(NC(=O)CCCc2nc(-c3ccccc3)no2)ccc1F 27192243 WYBBTPHVFFNFEH-UHFFFAOYSA-N 383.379 3.624 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909266 JVSBFBPBUMJZPM-HXUWFJFHSA-N 377.843 3.915 0 40 GHAB COc1ccc(N2C[C@H](c3nc(-c4cccc(C)c4)no3)CC2=O)c(OC)c1 9320894 NSQBDJRKBGNSDN-OAHLLOKOSA-N 379.416 3.583 0 40 GHAB O=C(CCc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCc1ccco1 11835050 JYDPIRGVVPWHFG-UHFFFAOYSA-N 389.864 3.891 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@H](O)c1ccc(-c2ccco2)o1 1775966069 RITYMLZTCDEJAS-KRWDZBQOSA-N 395.390 3.543 0 40 GHAB O=C(c1cccc(OC(F)(F)F)c1)N1CC[C@@H](Oc2ccncc2Cl)C1 575611104 UASHWHOPYCSWQS-CYBMUJFWSA-N 386.757 3.927 0 40 GHAB Cc1ccnc2nc(C(=O)Nc3nc(-c4ccc(C(C)C)cc4)cs3)nn12 40023428 AYWOVQCPLIWHSL-UHFFFAOYSA-N 378.461 3.932 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H](C)CCc2ccccc2)cs1 40128432 TVMYPDUFTNXJKL-CQSZACIVSA-N 397.500 3.977 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)NCCO[C@@H]2CCCC[C@H]2C)no1 40113174 DXUDYPAJZJQBQL-RDTXWAMCSA-N 389.521 3.995 0 40 GHAB O=C(NCC[C@@H]1CCCO1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 40145369 LTABUPCBRRXOIK-KRWDZBQOSA-N 384.432 3.685 0 40 GHAB CC(C)C(=O)N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 36727534 UDVIYEUVGXULDA-UHFFFAOYSA-N 399.541 3.965 0 40 GHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCN(C(C)C)C(C)C 11595351 KZEUMKBHSTVIDE-UHFFFAOYSA-N 395.551 3.667 0 40 GHAB CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CS[C@H]1c1cccc(Br)c1 819048 NTIKWEMNMJCFEY-NEPJUHHUSA-N 388.283 3.885 0 40 GHAB CCOc1cccc2ccc(/C=C3\NC(=S)N(c4ccccc4)C3=O)nc12 101366044 BWAYIDRAWYUVBM-LGMDPLHJSA-N 375.453 3.896 0 40 GHAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 4860745 URYPXKPQSHAGQK-AWEZNQCLSA-N 384.505 3.902 0 40 GHAB O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NCc1ccco1 4952712 MCMOHUQFDVATNE-UHFFFAOYSA-N 390.439 3.906 0 40 GHAB COc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1Br 6275147 PNTYZJUQHHSARO-UHFFFAOYSA-N 383.242 3.724 0 40 GHAB CCCc1nnc(CSc2nnc(-c3cc(OC)cc(OC)c3)n2CC)o1 7604669 BETQGUZUGWPXCB-UHFFFAOYSA-N 389.481 3.610 0 40 GHAB COc1cccc(CNc2ccccc2S(=O)(=O)C(F)(F)F)c1OC 52471926 MOUZYOHQQIESPE-UHFFFAOYSA-N 375.368 3.609 0 40 GHAB CCc1ccc(N2C(=O)N(c3ccccc3Cl)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 8064217 LALCCKZGOYVADT-ZWKOTPCHSA-N 390.892 3.515 0 40 GHAB CCCCc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 8073993 BDAOGOMCGBITNX-HNNXBMFYSA-N 386.517 3.992 0 40 GHAB Cn1ccnc1[C@H](NC(=O)NCC1(c2ccccc2)CC1)c1cccc(F)c1 32802397 GPKWGUBKKSGPFB-LJQANCHMSA-N 378.451 3.680 0 40 GHAB COc1ccccc1[C@H](NC(=O)N[C@@H](C)CCc1ccccc1)c1nccn1C 32802555 SVCGDQONSZZHDR-UWJYYQICSA-N 392.503 3.839 0 40 GHAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)cc2NC1=O 46501055 YFODCTPGWCYUIQ-DYVFJYSZSA-N 398.484 3.929 0 40 GHAB CN(C)C[C@@H](CNC(=O)Nc1cccc2ccccc12)[C@H](O)c1ccccc1 32912639 AEPLNSPHYKGNIV-DENIHFKCSA-N 377.488 3.873 0 40 GHAB C[C@@H](NC(=O)Cc1ccc(F)cc1)c1cc(O)n2nc(-c3cccs3)cc2n1 100769323 SEYMIYIYYJEWTE-GFCCVEGCSA-N 396.447 3.722 0 40 GHAB O=S(=O)(c1cccnc1N1CCC[C@@H]1c1cccs1)N1CCCCC1 68659531 GQEBUSSCCQOWMF-OAHLLOKOSA-N 377.535 3.659 0 40 GHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 20493627 AOTBZGWCXKEZBH-OUZREKFBSA-N 382.479 3.841 0 40 GHAB O=C(CN1CCO[C@H](c2ccccc2Cl)C1)NCc1ccc(Cl)s1 103490280 NDBNYVQEQZNIMI-HNNXBMFYSA-N 385.316 3.745 0 40 GHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1c[nH]nc1-c1ccc(F)cc1 22464365 FJRDEPYHDHYLBB-HXUWFJFHSA-N 378.451 3.783 0 40 GHAB COc1ccc(C(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)cc1OC 797337 SZNFIZRTHGAGBS-UHFFFAOYSA-N 389.411 3.965 0 40 GHAB CN(C)c1cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)ccn1 42216329 UZCFOHQRUSSFSQ-OAHLLOKOSA-N 382.489 3.583 0 40 GHAB Cc1ccc(CSCCNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 20453791 UGEYRFCQZHPKNE-UHFFFAOYSA-N 382.529 3.781 0 40 GHAB COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC(C)C)c3N2)c1 884282 OARYINORZVCOPX-CABCVRRESA-N 382.386 3.690 0 40 GHAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 7942677 REDVEFBBVYSPHL-CYBMUJFWSA-N 390.468 3.553 0 40 GHAB CC(C)(C)c1ccc(OCc2nnc(SCCc3ccncc3)n2N)cc1 23138472 LRBCLCSPYASAKC-UHFFFAOYSA-N 383.521 3.598 0 40 GHAB CC(C)C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NC(C)C 12391256 SSLZIGVSCPVQOM-KRWDZBQOSA-N 398.532 3.756 0 40 GHAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 58066618 KSFMJQJUMFMHGI-VIFPVBQESA-N 399.727 3.647 0 40 GHAB O=C1CCCc2nc3nc(N4CCCCC4)[nH]c(=O)c3c([C@H]3CC=CCC3)c21 20102097 VXIHCNXGHPYKLX-AWEZNQCLSA-N 378.476 3.651 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)N1CCC2(CC1)OCCO2 24686948 JDBSLKUCGGCZOC-UHFFFAOYSA-N 380.488 3.757 0 40 GHAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)Cn1nc(-c2cccs2)oc1=O 24971652 KTUZABRIZGHINU-OAHLLOKOSA-N 388.489 3.611 0 40 GHAB CCOC(=O)C1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 57341673 BUXVAUGYXLJMET-FQEVSTJZSA-N 384.451 3.781 0 40 GHAB CCOC(=O)N1CCN(C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)CC1 57352385 AWKDVZKMUPAJCL-LHHMWQFHSA-N 396.531 3.825 0 40 GHAB O=C(C[C@@H]1SC(NC2CC2)=NC1=O)Nc1ccc(Oc2ccccc2)cc1 7987353 BRBSIEZYCIHXQF-KRWDZBQOSA-N 381.457 3.558 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2C 10971873 JXKYDGUFFJJVQQ-UHFFFAOYSA-N 388.851 3.982 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1C 110531445 WGWTWIHBJNVOIV-OAUYIBNBSA-N 377.481 3.995 0 40 GHAB COc1cc(N[C@H](C)C(=O)Nc2c(C)cccc2C)ccc1N1CCCC1=O 10185289 ADPFCXVOCRKRLD-MRXNPFEDSA-N 381.476 3.878 0 40 GHAB CN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)[C@@H](c2ccccc2)C1 58369871 MPGDPFPVKFPQOX-GOSISDBHSA-N 383.542 3.929 0 40 GHAB COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1 47955972 XJKDWFUZBHDSNJ-UHFFFAOYSA-N 395.459 3.780 0 40 GHAB Cc1ccc(O)c(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1 10499107 PXCHMEKDLKOSHB-UHFFFAOYSA-N 395.484 3.913 0 40 GHAB COc1ccc2cc(C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)c(C)nc2c1 10725668 GXDGTKPQOOZQJO-UHFFFAOYSA-N 392.411 3.550 0 40 GHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc(Cl)c2c(c1)OCCO2 28340080 WXIWZDYLEONFKG-UHFFFAOYSA-N 379.815 3.921 0 40 GHAB CCCc1nc2oc3c(N[C@@H](CC)CO)ncnc3c2c2c1COC(C)(C)C2 2364495 QJYCPEJGXJOUNM-LBPRGKRZSA-N 384.480 3.758 0 40 GHAB CCc1cccc(C)c1NC1=NN=C(c2ccc3c(c2)NC(=O)CO3)CS1 12641704 XTJZOTXWAODLEV-UHFFFAOYSA-N 380.473 3.807 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 12768819 OWMPMAFYNXWCHK-RBUKOAKNSA-N 379.504 3.981 0 40 GHAB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1C[C@@H]1CCCO1 3428624 XXLNUUGCQZLMSV-SFHVURJKSA-N 381.432 3.596 0 40 GHAB CCOc1ccc(C(=O)CCC(=O)NCCn2c(C)nc3ccccc32)cc1 8172846 HZYCLVIGTRUXTL-UHFFFAOYSA-N 379.460 3.523 0 40 GHAB C[C@H](C(=O)Nc1ncc(Cl)cc1Cl)n1nnc(-c2cccc(Cl)c2)n1 12982077 PPDURCUVYLGBSC-MRVPVSSYSA-N 397.653 3.895 0 40 GHAB O=C(CCCNC(=O)c1cc2ccccc2[nH]1)NCCc1c[nH]c2ccccc12 12902899 DJIKFFYADCPPOT-UHFFFAOYSA-N 388.471 3.518 0 40 GHAB biogenic O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(=O)[nH]n1 12993123 FFXNAVVHCBYBAH-UHFFFAOYSA-N 386.205 3.577 0 40 GHAB O=C1CN(C(=O)COc2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2N1 13015225 LLVJAYCWGJEFJD-UHFFFAOYSA-N 384.741 3.723 0 40 GHAB COc1ccc(-c2cc(C(=O)O)c3c(C)nn(-c4nc(C)cc(C)n4)c3n2)cc1 3885031 XXDFTFQXFRYHKE-UHFFFAOYSA-N 389.415 3.510 0 40 GHAB COc1ccc(OCCCCn2c(CN3CCOCC3)nc3ccccc32)cc1 13566948 BCPKRRLKAAARDN-UHFFFAOYSA-N 395.503 3.736 0 40 GHAB COc1cccc(-c2nn3c(-c4cncc(Br)c4)nnc3s2)c1 13686894 QTZRHCDEEIYOAO-UHFFFAOYSA-N 388.250 3.686 0 40 GHAB COc1cc2c(cc1NC(=O)c1cccc(-n3cnnn3)c1)oc1ccccc12 8389351 IAAJPDRCLVKTAV-UHFFFAOYSA-N 385.383 3.823 0 40 GHAB Fc1ccccc1CCNCc1cccc(Oc2nnnn2-c2ccccc2)c1 13717666 TZAGJDWMLIQVGE-UHFFFAOYSA-N 389.434 3.926 0 40 GHAB Cn1ncc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C(=O)N1CCCCC1 17078557 OLGFSPTUKHIDRS-UHFFFAOYSA-N 384.524 3.591 0 40 GHAB CC(C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 14171079 IJRNLNRKURNRFN-QPEQYQDCSA-N 387.288 3.802 0 40 GHAB CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)s2)c2cc(Br)ccc21 4555035 CQVKVOWNCVLZOH-KRWDZBQOSA-N 394.290 3.646 0 40 GHAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OCO2 6605420 YDLOJZRDNWPCFL-UHFFFAOYSA-N 389.407 3.807 0 40 GHAB CCN1CCN(C(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)CC1 6881705 QAROORFMPGWHQA-UHFFFAOYSA-N 392.478 3.765 0 40 GHAB COc1ccc(/C=C/C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1OC 6839114 CQSWGSGFOIRGLT-RMKNXTFCSA-N 380.396 3.875 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC(c2nnc3ccccn23)CC1 67443093 WMVSZTOWUOAVLY-AWEZNQCLSA-N 383.883 3.589 0 40 GHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc3oc(C)nc3c2)CC1=O 15578714 DKWIUAYDNAOENH-AWEZNQCLSA-N 379.416 3.527 0 40 GHAB Cc1ccc(-n2c3c(cc(C(=O)Nc4cccc(C)n4)c2=O)C(=O)CCC3)cc1 8550659 RXRUJDMKIQRKGX-UHFFFAOYSA-N 387.439 3.621 0 40 GHAB COc1cccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)n[nH]2)c1 15679310 FBYMVEIUIDDMHO-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB COC(=O)c1c(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)sc2c1CCC2 15831202 ZYBZDTLXHDWSRR-UHFFFAOYSA-N 397.452 3.999 0 40 GHAB COc1ccc2ccccc2c1CNCCSc1nnnn1-c1ccccc1 7540270 OOXALKUOADJBKI-UHFFFAOYSA-N 391.500 3.706 0 40 GHAB COc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1S(N)(=O)=O 9741431 WISDDOHJTLSTJQ-UHFFFAOYSA-N 388.489 3.643 0 40 GHAB Cc1nnc(-c2ccc(C(=O)Nc3cccc(C)c3C(=O)N3CCCC3)cc2)o1 78899843 PEWYIFYQUIMJEY-UHFFFAOYSA-N 390.443 3.842 0 40 GHAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(OC)c(OC)c1 9215659 VDEVBTDUSDRUGJ-UHFFFAOYSA-N 394.471 3.906 0 40 GHAB Cc1ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)cc1 9336797 PUYYEFOHLYUGOV-IBGZPJMESA-N 378.476 3.505 0 40 GHAB COc1cccc(C2=NN(C(=O)CN3CCCCC3)[C@H](c3cccs3)C2)c1 97105873 IJPVFBUEXAGARQ-IBGZPJMESA-N 383.517 3.920 0 40 GHAB Cc1ccc(C(=O)N2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)s1 95367621 LTHCWMIVRPYJAZ-UHFFFAOYSA-N 388.920 3.726 0 40 GHAB CC(C)CCO[C@@H]1CCCC[C@H]1Nc1ccc(S(N)(=O)=O)c2cccnc12 95442271 LATJXGXGPISQIP-SJLPKXTDSA-N 391.537 3.668 0 40 GHAB Cc1ccccc1C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 95998733 AQBHNCBTSOOFIC-KRWDZBQOSA-N 380.492 3.867 0 40 GHAB Cc1[nH]c(C(=O)N2CCc3[nH]c4ccccc4c3C2)c(C)c1C(=O)OC(C)C 9902593 NURUZWSOXMNQJX-UHFFFAOYSA-N 379.460 3.877 0 40 GHAB Cc1csc(CNC(=O)COc2ccc(Br)cc2Cl)n1 21482534 OEVHNFQEQORFCW-UHFFFAOYSA-N 375.675 3.563 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)ccc2C)ccc1OC 408585641 HKMUYOGLLXFYJA-UHFFFAOYSA-N 378.450 3.681 0 40 GHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3OC)o2)cc1 409350862 ZIMZEKUKJIALHV-UHFFFAOYSA-N 399.472 3.950 0 40 GHAB COc1ccc(NCc2cc(I)c(O)c(OC)c2)cc1 409111528 JFIXUPLGWBNFAE-UHFFFAOYSA-N 385.201 3.626 0 40 GHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 219319599 SJGOMGPISPDSGE-LJQANCHMSA-N 395.459 3.870 0 40 GHAB O=C(NCCSCc1ccco1)C1CCN(Cc2ccc(F)cc2)CC1 39761726 MXMQMHSXNJEJGR-UHFFFAOYSA-N 376.497 3.680 0 40 GHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc2nsnc2c1 72396256 NUSVYRMHUBXWMM-QGZVFWFLSA-N 389.484 3.744 0 40 GHAB CCOC(=O)c1c(NC(=O)CN(C)Cc2ccco2)sc2c1CC[C@H](C)C2 30276133 WVSMUXRMWVCQIS-ZDUSSCGKSA-N 390.505 3.713 0 40 GHAB COC(=O)c1ccc(CSc2nnc3ccc(-c4ccc(F)cc4)nn23)o1 38786080 WCUGNFSYGLZCMC-UHFFFAOYSA-N 384.392 3.602 0 40 GHAB COc1ccc([C@H]2CC(=O)N(c3ccc(OC)cc3)c3c2sc(=O)n3C)cc1 66089690 WVKGOQXBVINSAH-QGZVFWFLSA-N 396.468 3.664 0 40 GHAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc2nsnc2c1 72396257 NUSVYRMHUBXWMM-KRWDZBQOSA-N 389.484 3.744 0 40 GHAB COc1cccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 219306845 NQKPNUVYNOSAKK-KUHUBIRLSA-N 385.460 3.890 0 40 GHAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccoc3)cc2)n1 14958595 WGLNSRQEOWVDEE-FQEVSTJZSA-N 392.459 3.716 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 223680889 UOZQNRIIWHFQRN-IBGZPJMESA-N 382.504 3.544 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 224997441 CNMBPWAJLCCHIC-IBGZPJMESA-N 396.531 3.880 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 223001606 UOOJVEMDAFRJOB-OAQYLSRUSA-N 396.531 3.852 0 40 GHAB CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 225676142 YTSLHNHHZKNRMA-UHFFFAOYSA-N 376.503 3.743 0 40 GHAB CCc1ccc([C@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 224518357 UWCRSSRAPVFWDV-ZDUSSCGKSA-N 394.924 3.789 0 40 GHAB COc1cc(OC)cc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)c1 224255185 QLOXYJPZCRAEHL-UHFFFAOYSA-N 378.428 3.707 0 40 GHAB C[C@H](NC(=O)[C@@H](C)c1ccc(C[C@H]2CCCC2=O)cc1)c1nnc2ccccn12 95474320 QOIVZYRJPZBZFV-TXPKVOOTSA-N 390.487 3.622 0 40 GHAB O=C(Nc1ccc(OC(F)F)cn1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 582709602 JAGUEZAZRXPNEE-BRWVUGGUSA-N 389.402 3.719 0 40 GHAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N1C[C@@H]2CNC[C@@H]2C1 580460254 HZCORGYVIJUPRN-CALCHBBNSA-N 377.463 3.584 0 40 GHAB Cc1cc(O)ncc1C(=O)N1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1 583621507 VCOPANMHFAFAJI-MRXNPFEDSA-N 382.395 3.652 0 40 GHAB O=C(CCc1cccnc1)N1CC[C@]2(CCN(CCCc3ccccc3)C2)C1 96071128 CJQHCLOWDUDTDV-DEOSSOPVSA-N 377.532 3.571 0 40 GHAB O=C(NCc1ccc(Cl)cc1)NC[C@@H](c1ccoc1)N1CCSCC1 253396162 DFLPIWJYADWVTG-KRWDZBQOSA-N 379.913 3.522 0 40 GHAB CC(C)C(=O)N1CCO[C@H](c2cc(CCOc3ccc(C(C)C)cc3)[nH]n2)C1 257321887 WDRQYPKBUBRGQR-NRFANRHFSA-N 385.508 3.711 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)nc1)[C@H]1CCCN1Cc1ccccn1 673644763 SFPVSMGUWFGJCX-OAQYLSRUSA-N 388.471 3.659 0 40 GHAB C[C@@H](SCC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1nc2ccccc2[nH]1 596004916 SENYBOZLJPURFU-CYBMUJFWSA-N 383.521 3.691 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cnc(-n2ccnc2C)nc1 90584080 HLJBBZKDXLGUQK-UHFFFAOYSA-N 394.822 3.840 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)COc2ccc(N3CCCC3=O)cc2)o1 53194402 JQERDWBQBMYWCA-BEFAXECRSA-N 382.460 3.567 0 40 GHAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@H]1CCOC(=O)c1cccnc1Cl 100011099 KUNTVFFWKIHCJG-CQSZACIVSA-N 392.242 3.974 0 40 GHAB C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)Cc1cnn2ccccc12 648341800 LTGQODXKGSFKJS-CYBMUJFWSA-N 384.277 3.613 0 40 GHAB COc1ccccc1CN(C)C(=O)c1ccc(I)cc1 18076233 LOLMCYUVNHUSRR-UHFFFAOYSA-N 381.213 3.572 0 40 GHAB CC(C)(C)c1ccc(OCCOC(=O)c2cccc(S(C)(=O)=O)c2)cc1 11319224 PLASZZSNMJZGLV-UHFFFAOYSA-N 376.474 3.623 0 40 GHAB Cn1c(=O)n(CCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc21 12254773 WELWNPMNMUIDKZ-UHFFFAOYSA-N 396.447 3.631 0 40 GHAB COc1ccc(CNC(=O)c2csc(COc3ccc(C)cc3)n2)cc1OC 12736912 IMNGGQWCOXGHSU-UHFFFAOYSA-N 398.484 3.978 0 40 GHAB Oc1ccc(N2CCN(C(=S)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 17077935 LLNPQOUPVIWMRY-UHFFFAOYSA-N 381.423 3.930 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2C[C@@H]2C)C1 19462708 RJCHLFOPPYKXKL-VPKVUBIPSA-N 382.529 3.578 0 40 GHAB CCOc1cc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)ccc1O 19531868 ZKKXZKYCWFJZIG-UHFFFAOYSA-N 396.535 3.863 0 40 GHAB COc1cccc2c1OC[C@H](C(=O)N1CCC[C@@H](COc3ccccc3F)C1)C2 19568267 JUMIOGVRJPCSLW-SJLPKXTDSA-N 399.462 3.703 0 40 GHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCC2)C1 19591384 LPCLYMANTBMJMQ-XMMPIXPASA-N 376.500 3.661 0 40 GHAB Fc1ccc(-c2cccc(CN3CCc4nnc([C@H]5CCCN5)n4CC3)c2)cc1 19706418 FFHFTXNRFPPSMP-OAQYLSRUSA-N 391.494 3.567 0 40 GHAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1CCOCC1 226330827 RNAMANNYVBBVLV-UHFFFAOYSA-N 380.275 3.973 0 40 GHAB O=C(C1CCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643570588 KPXCEWKSIDIPOX-UHFFFAOYSA-N 385.504 3.744 0 40 GHAB COc1cc2cc(N)c(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)nc2cc1OC 12230901 VGNNGQXJNXBJBO-INIZCTEOSA-N 395.503 3.897 0 40 GHAB COc1ccccc1OC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 3282197 XGBKMUKYUMJCAU-UHFFFAOYSA-N 397.452 3.740 0 40 GHAB CN1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)[C@@H](c2ccccc2)C1 30030594 FXJCCMCRVAEPQB-HXUWFJFHSA-N 375.472 3.790 0 40 GHAB O=S(=O)(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cccc(Cl)c1 31722895 VCSLXNGLVSIMKS-UHFFFAOYSA-N 399.921 3.857 0 40 GHAB CCn1cc(CN2CCC3(CCCc4cccc(n4)OCCOC3)CC2)c(C)n1 2037978126 BXCZIKYMOIXYJU-UHFFFAOYSA-N 398.551 3.621 0 40 GHAB O=S(=O)(Cc1ccccc1)N1CCC(c2nc(-c3cccs3)no2)CC1 1359448 CACGICJDAQUQPD-UHFFFAOYSA-N 389.502 3.508 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)Nc1ccc(F)cc1 4164112 OULXWOATXOABQL-UHFFFAOYSA-N 379.420 3.661 0 40 GHAB Cc1cccc(C)c1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccccc1 11612683 JLXAPACUUNLNKA-GOSISDBHSA-N 386.517 3.875 0 40 GHAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)NCc1ccccc1Cl 17177718 JVCYEUPHYYDEQW-UHFFFAOYSA-N 383.860 3.581 0 40 GHAB Cc1cccc2sc(N(CCN3CCOCC3)C(=O)Cc3ccccc3)nc12 22998213 UEEWIOKJAFNSQC-UHFFFAOYSA-N 395.528 3.513 0 40 GHAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)c(Cl)c1 23127751 JMVQKWHMNGXGEV-GOSISDBHSA-N 379.287 3.797 0 40 GHAB O=C(NCc1ccncc1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579474 OZRASYUCQOOTQP-HMAPJEAMSA-N 396.450 3.650 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(OCc2cccnc2)cc1 40069979 OUHSVRVGPNUPFL-FQEVSTJZSA-N 390.439 3.573 0 40 GHAB O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@@H](c2nnc3ccccn23)C1 40001106 BDSQLXQIHQVXMR-LLVKDONJSA-N 376.794 3.681 0 40 GHAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(C(=O)c2ccco2)CC1 30146049 ITGSTHDLBPJPFS-CYBMUJFWSA-N 386.839 3.502 0 40 GHAB O=C(NCc1nnc2ccccn12)c1cc2ccccc2n1Cc1ccccc1 40143926 DPBKJXUJWQPZFR-UHFFFAOYSA-N 381.439 3.662 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCOc1ccc2ccccc2c1 30446225 JGUUBPMJBSEZOT-IBGZPJMESA-N 384.476 3.734 0 40 GHAB O=C(CSc1nnc(-c2cccs2)o1)NCc1ccc(F)c(Cl)c1 51319212 MSXJJZLTOLGJQP-UHFFFAOYSA-N 383.857 3.999 0 40 GHAB CC(C)c1ccc(-n2c(=S)[nH]c(O)c([C@H]3NCCc4ccccc43)c2=O)cc1 17197988 CAQLXFCGKVKQHU-IBGZPJMESA-N 393.512 3.959 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccccc1Cl 1093076 SVJMKMAYNXKAEM-UHFFFAOYSA-N 388.876 3.898 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1 1379703 GNVFZNWPRHAOFA-SFHVURJKSA-N 389.858 3.834 0 40 GHAB Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 2726407 ASIXRGHBHXNELM-UHFFFAOYSA-N 394.393 3.868 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)o1 3459086 HYZPXGZZOIPQPN-UHFFFAOYSA-N 385.445 3.875 0 40 GHAB COC(=O)[C@H](NC(=O)c1ccc(C)cc1)c1nnc(Nc2ccc(C)cc2)s1 32593944 NVGNORMBTRXJQS-MRXNPFEDSA-N 396.472 3.543 0 40 GHAB CCc1nc(NCCNC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3 4848587 OFPYEXNNKNHVPT-UHFFFAOYSA-N 380.517 3.974 0 40 GHAB CCCCn1ccnc1C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 6167932 TWKOJARVUMJPCM-UHFFFAOYSA-N 397.500 3.739 0 40 GHAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCN1CCSC1=O)c1ccccc1 32784675 YVDXMGGXVIWUMA-OAHLLOKOSA-N 397.500 3.675 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)o1 8571628 XNKPXKQRXZWPRB-UKRRQHHQSA-N 375.494 3.744 0 40 GHAB Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)NC3CCCCC3)c(=O)[nH]c12 8578978 ZICKWXLZIKXFSW-HXUWFJFHSA-N 397.519 3.860 0 40 GHAB Nn1c(Cc2ccccc2F)nnc1SCc1cc(-c2cccs2)on1 8981162 FVUQAHXWDVUUBF-UHFFFAOYSA-N 387.465 3.731 0 40 GHAB CCn1c(=O)n(CCC(=O)Nc2cc(C)c(Cl)cc2OC)c2ccccc21 21973482 NINIUVCJYADNPM-UHFFFAOYSA-N 387.867 3.822 0 40 GHAB O=C(CCc1nnc(-c2ccsc2)o1)NC[C@@H]1CCCN1Cc1ccccc1 89834934 PPFWTVHYDRBRBQ-SFHVURJKSA-N 396.516 3.512 0 40 GHAB O=C1Oc2ccccc2N[C@H]1CC(=O)N(C(=O)c1ccccc1)c1ccccc1 9264808 BOIRNFPNWDMNES-IBGZPJMESA-N 386.407 3.650 0 40 GHAB Cc1oc(-c2ccccc2)nc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22847929 LXTBDTMGWNJZCN-UHFFFAOYSA-N 391.471 3.697 0 40 GHAB CCc1nnc2sc(-c3cccc(NC(=O)COc4ccccc4C)c3)nn12 57316954 ZUCXERKLKJRXGI-UHFFFAOYSA-N 393.472 3.741 0 40 GHAB O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)Nc1cccc(F)c1 23126443 VTACJNNEUCYGBZ-UHFFFAOYSA-N 379.416 3.903 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(N(C)Cc3ccc(Cl)s3)nc2)no1 12525877 RQUPCNMJCRIEAR-UHFFFAOYSA-N 398.897 3.530 0 40 GHAB COc1cc2c(cc1OC)CN(S(=O)(=O)c1c(C)c(C)cc(C)c1C)CC2 1099212 BOWUFFGQNGUFON-UHFFFAOYSA-N 389.517 3.684 0 40 GHAB C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cc(Cl)cc(Cl)c1 3246305 BYUICFGQUVMWCU-SNVBAGLBSA-N 396.226 3.949 0 40 GHAB CSc1ccc(N2C[C@H](C(=O)N(Cc3ccccc3)C3CC3)CC2=O)cc1 24970052 AJWTZRKGDJNXFF-QGZVFWFLSA-N 380.513 3.953 0 40 GHAB Cc1c(NC(=O)c2sccc2-n2cccc2)c(=O)n(-c2ccccc2)n1C 25153010 SZOBUZNZXYFLFK-UHFFFAOYSA-N 378.457 3.589 0 40 GHAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)N1CCCCCC1 3345865 NTTTWQXOKNPECN-UHFFFAOYSA-N 395.326 3.729 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccccc2Cl)cc1 3370718 HLBOYRIRBBACIW-WHGQRRHOSA-N 386.835 3.882 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)NCC1(c2ccc(F)cc2)CCCC1 57617832 AWUYHMOUEAADFD-UHFFFAOYSA-N 389.492 3.861 0 40 GHAB COC(=O)c1cc2cc(NC(=O)CCc3nnc(-c4ccccc4)o3)ccc2o1 44659061 IJKPFPNMIROQBR-UHFFFAOYSA-N 391.383 3.841 0 40 GHAB Cc1ccc(-n2nnn(CN(C)Cc3c(F)cccc3Cl)c2=S)cc1 58124781 PAWZQWJVLIPPMJ-UHFFFAOYSA-N 377.876 3.989 0 40 GHAB COc1ccccc1-c1nnc(SCCCC(=O)c2ccc(F)cc2)n1N 10213544 VNBIKJFKXOPRNZ-UHFFFAOYSA-N 386.452 3.562 0 40 GHAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)NC[C@H]2CCCO2)cc1 12705951 NDQBCCOMXFOCGH-FNWSHLARSA-N 378.428 3.583 0 40 GHAB CCS(=O)(=O)N1CCc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc21 12773932 JSXVUVJOIKLBKD-UHFFFAOYSA-N 386.498 3.895 0 40 GHAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N[C@@H]1COc2ccccc21 58577268 FNWUGIIWCZPKAH-LJQANCHMSA-N 385.895 3.737 0 40 GHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)N(Cc1ccccc1F)C1CC1 28252270 QWENYLSJCAXOOZ-UHFFFAOYSA-N 388.826 3.968 0 40 GHAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)oc2c1 28287839 KCEBDUNXIZUEPC-KRWDZBQOSA-N 384.501 3.914 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)OCc1cc(=O)oc2cc(O)ccc12 10859991 PMPUBWYWUKULHB-UHFFFAOYSA-N 379.343 3.851 0 40 GHAB CC(=O)c1ccc(OC[C@H](O)CN(C)[C@H](C)c2nc3ccccc3s2)cc1 12814080 QCWISTPWVGSXET-RHSMWYFYSA-N 384.501 3.932 0 40 GHAB O=C(COCc1nc2ccccc2s1)NCCc1cccc2cccnc12 12906993 SSFPGJWMCCPQFA-UHFFFAOYSA-N 377.469 3.720 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3cccn3C)n2)cc1 4414854 JBPLZTIKXCVUIO-CYBMUJFWSA-N 383.473 3.895 0 40 GHAB CCOc1c(I)cc(C(=O)O)cc1OCc1ccccc1 4419137 AOLTVMBGRNDSJQ-UHFFFAOYSA-N 398.196 3.967 0 40 GHAB CC[C@H](C)c1ccccc1OCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 14085044 BZBFLZSUCQKPIK-HOTGVXAUSA-N 389.517 3.860 0 40 GHAB COCCn1c(C)cc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)c1C 5381788 KCDZFCIQTZQXCR-UHFFFAOYSA-N 396.487 3.981 0 40 GHAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)[C@@H]1CC(c2cccc(F)c2)=NO1 65609612 AYAIJDYEFIVFMU-KRWDZBQOSA-N 382.420 3.806 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1 14227149 MBPWCIZKGCEFEZ-GOSISDBHSA-N 386.517 3.738 0 40 GHAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 14249975 HKKDGQVQSDMVGR-LBPRGKRZSA-N 375.494 3.975 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1c(C)cc(C)cc1C 5505005 IRDKEYYBNMEOIJ-FQEVSTJZSA-N 379.460 3.887 0 40 GHAB C[C@H](NC(=O)[C@@H](C)Sc1nncn1-c1ccccc1F)c1ccc(F)cc1 4890876 OTBVZBMIUCPCHK-QWHCGFSZSA-N 388.443 3.904 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1NC(C)=O 4813767 MCHMZZFCDUNOKR-UHFFFAOYSA-N 382.869 3.806 0 40 GHAB COc1cccc(-n2cnnc2S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 5895507 HIOOKWWRNRDNPJ-HUUCEWRRSA-N 394.500 3.734 0 40 GHAB O=C(c1ccc(COc2ccccc2Cl)o1)N1N=CC[C@]1(O)C(F)(F)F 6926990 DGDRLWBBQNLRLP-HNNXBMFYSA-N 388.729 3.595 0 40 GHAB Nc1nc(COC(=O)CCCc2nc3ccccc3s2)nc2ccccc12 18332067 BORLDRKROAZKIM-UHFFFAOYSA-N 378.457 3.888 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCc2cc3ccc(C)cc3nc21 15841965 UAIPAJAEMCWHSM-UHFFFAOYSA-N 382.485 3.920 0 40 GHAB CN(CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1ccc2c(c1)OCCO2 16381657 SFZIUEAKYBLSPQ-UHFFFAOYSA-N 382.504 3.717 0 40 GHAB Cc1cc(C)c(OCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(C)c1 9452080 WKMCHDNYPNCHBX-UHFFFAOYSA-N 377.448 3.618 0 40 GHAB Cc1ccc(Cc2cnc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)s2)cc1 9487244 HLVZFXBKTNMWLM-GOSISDBHSA-N 378.453 3.763 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1F)c1ccccc1 9698889 LUWZYYABQRSKGR-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB CN(Cc1ccc(F)c(F)c1)[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1=O 97011563 WUYXLXGLNXUUEL-HXUWFJFHSA-N 380.394 3.882 0 40 GHAB O=C(O)COc1cccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)c1 95389873 BFEDVXGCUYFPQJ-UHFFFAOYSA-N 380.400 3.766 0 40 GHAB CCS(=O)(=O)c1ccc(CC(=O)O[C@H](CC(C)C)c2ccccn2)cc1 95966398 QODDCTCKDYFYDJ-LJQANCHMSA-N 375.490 3.748 0 40 GHAB Cc1cc(CN2CCC[C@@H](c3n[nH]c(C)n3)C2)nc(-c2ccc(Cl)cc2)n1 95973111 DDHXZZBMRRJETO-MRXNPFEDSA-N 382.899 3.912 0 40 GHAB Cc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)on1 89608755 VFLCYEKUVJUXNH-CYZMBNFOSA-N 382.338 3.676 0 40 GHAB Cc1ccc(-c2ccc3c([C@@H]4CN(Cc5cccnc5)CCN4C)nnn3c2)cc1 306125382 COBVWZCWYFCZHL-QHCPKHFHSA-N 398.514 3.588 0 40 GHAB Cc1ccc(F)c(NC(=O)Cn2ccc(C(=O)Nc3cc(C)ccc3F)n2)c1 36617890 MMGZQNUSRZHPRA-UHFFFAOYSA-N 384.386 3.669 0 40 GHAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)c3ccccc3)n2C)c1 33864491 INURQQWEPVVTLB-HNNXBMFYSA-N 394.500 3.590 0 40 GHAB CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 72320882 AGGGVSQIHJDVLY-BZSNNMDCSA-N 389.565 3.520 0 40 GHAB biogenic,in-vitro O=C(COc1ccc(Br)cc1C(=O)O)Nc1ccccc1Cl 217718257 JBTDIQXIHDFRLA-UHFFFAOYSA-N 384.613 3.818 0 40 GHAB COc1ccc(C(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)nc2)cc1OC 72404993 KAPKSHMGEBUURJ-UHFFFAOYSA-N 386.839 3.807 0 40 GHAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(Br)cc1 219685327 BEYIJXAYQTVWNR-ZDUSSCGKSA-N 378.266 3.932 0 40 GHAB COc1ccccc1[C@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H](C)Nc2ncnn21 36701551 VFSIWQINXIDRHZ-IGNZVWTISA-N 397.866 3.598 0 40 GHAB O=C(NCc1ccccc1F)c1ccc(NS(=O)(=O)c2ccccc2)cc1 36351003 AZISYNPZKTYYAU-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB Cc1cc([C@H](O)c2ccccc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 72222615 NVULQDFMFRRODZ-LJQANCHMSA-N 383.492 3.529 0 40 GHAB CC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1C 219139833 SLEWCOVCNQJFCI-HXUWFJFHSA-N 378.472 3.947 0 40 GHAB O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)NCc1ccccc1 41991004 MRIQPWSDDNGESE-UHFFFAOYSA-N 385.423 3.541 0 40 GHAB COc1ccc(OCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 224481407 OBRKWIPLETYJPI-UHFFFAOYSA-N 399.468 3.845 0 40 GHAB COc1ccc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)cc1 46058065 GPWUYHQWBLDMCN-UHFFFAOYSA-N 390.486 3.558 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 224386370 UARDJODTJAFHJX-NRFANRHFSA-N 384.495 3.929 0 40 GHAB COc1ccccc1OC[C@H](C)NC(=S)Nc1cccc(N2CCCC2=O)c1 225787993 SNAGLAZWEVRVJE-HNNXBMFYSA-N 399.516 3.576 0 40 GHAB O=C(Cc1cccc(Br)c1)NCc1cccc(CN2CCCC2)c1 224641299 BQEJWRUKOPCPTR-UHFFFAOYSA-N 387.321 3.904 0 40 GHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 224281934 CAOWNWRCPWHLFD-GOSISDBHSA-N 384.495 3.948 0 40 GHAB CC(=O)N(Cc1ccco1)c1nc(C)c(C(=O)Nc2nc(C)c(C)s2)s1 44921171 NTPDTESWUGTFNN-UHFFFAOYSA-N 390.490 3.923 0 40 GHAB CCOc1cccc([C@@H]2c3oc4ccccc4c(=O)c3C(=O)N2CCCOC)c1 41104992 FVFAAGOPDGAHDR-HXUWFJFHSA-N 393.439 3.773 0 40 GHAB Cc1nc(CN2CCC(c3nc(-c4ccc5cc[nH]c5n4)no3)CC2)cs1 574754027 BUSZQRJRPMPOOY-UHFFFAOYSA-N 380.477 3.757 0 40 GHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 222821798 BECBDYUNGZROBK-PMACEKPBSA-N 377.517 3.707 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H](NCCc2ccc(Br)cc2)C1 89212649 RSEOPQKLPBGQKJ-MRXNPFEDSA-N 383.330 3.981 0 40 GHAB CC(C)n1ccc2c(NC(=O)Cn3ncc4c(c3=O)CCCCC4)cccc21 95473319 NFSQMSOGSPEADK-UHFFFAOYSA-N 378.476 3.687 0 40 GHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCCSC[C@H]1CN1CCCC1 90609023 HERLERHFFGAJKA-OAHLLOKOSA-N 388.455 3.629 0 40 GHAB O=C(Cn1cccn1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257280302 OKIOUUWQJJXJRL-INIZCTEOSA-N 384.867 3.522 0 40 GHAB CN(C[C@H]1C[C@@H](O)C1)C(=O)N=c1cc[nH]c2ccc(Oc3ccccc3)cc12 626537798 HRUDANUBQKSQNL-IYBDPMFKSA-N 377.444 3.684 0 40 GHAB OC[C@]1([C@H](NCc2coc(-c3ccccc3C(F)(F)F)n2)C2CC2)CCCO1 1170639984 UGWMNLKSFBGDOA-MJGOQNOKSA-N 396.409 3.770 0 40 GHAB O=C(c1cccc2ccccc12)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96104441 HTHYPBDUMSUWAK-UHFFFAOYSA-N 385.872 3.792 0 40 GHAB CC(C)(C)CCOc1cnccc1CNC(=O)N1CCOc2ccc(O)cc2C1 661187668 PJRCGUPLUYIGKW-UHFFFAOYSA-N 399.491 3.706 0 40 GHAB Cc1nc(-c2ccc(S(=O)(=O)N(CCN(C)C)C3CCCC3)s2)cs1 89712599 XLAMDJAGQZMVRS-UHFFFAOYSA-N 399.607 3.675 0 40 GHAB CN1Cc2ccccc2NC2(CCN(Cc3cccc(F)c3F)CC2)CC1=O 1615529647 KWQZJEVKXZPGIO-UHFFFAOYSA-N 385.458 3.774 0 40 GHAB COc1ccc(C(=O)COC(=O)c2ccc(N(C)C)cc2)cc1Br 11030796 BDZILSGOENNTPK-UHFFFAOYSA-N 392.249 3.563 0 40 GHAB CN1C[C@@H](NC(=O)Nc2cccc(F)c2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 12529980 JVRYKROREWGKRZ-IRXDYDNUSA-N 399.401 3.582 0 40 GHAB biogenic,in-vitro Cc1ccsc1CN1CCc2nc3cc(-c4ccoc4C)nn3c(O)c2C1 12667161 UHALRMVDQNELCL-UHFFFAOYSA-N 380.473 3.932 0 40 GHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 14891029 FRYRSKPJHJHVIS-SFHVURJKSA-N 398.459 3.548 0 40 GHAB CCCCc1nn2c(=O)cc(COC(=O)c3ccc(Cl)cc3)nc2s1 15734067 ZHZODQCDOQRLRE-UHFFFAOYSA-N 377.853 3.504 0 40 GHAB Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)C4CC4)C3)cc2)cc1 19212324 VFWGVVXRZSTUPE-DEOSSOPVSA-N 376.500 3.709 0 40 GHAB O=C1NCCN(C(=O)c2ccccc2)C[C@H]1Cc1ccccc1-c1cccs1 19368888 GEQZGJGZBKWNLC-LJQANCHMSA-N 390.508 3.846 0 40 GHAB c1ccc([C@@H]2CN(Cc3cnc(N4CCOCC4)nc3)CC23CCCCC3)cc1 19370018 WRXDWGAAGZYAIE-QFIPXVFZSA-N 392.547 3.863 0 40 GHAB Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c(C)c1C 19556706 WWODLUYKVWOGEA-HNAYVOBHSA-N 387.499 3.901 0 40 GHAB COc1cccc(CN2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)c1OC 19567855 MSLBRVGSSUQPDZ-KRWDZBQOSA-N 380.448 3.528 0 40 GHAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 19677776 RRYAAWJYDSYKOB-UHFFFAOYSA-N 385.272 3.568 0 40 GHAB CC(C)(C(=O)Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1)c1ccc(F)cc1 19746215 HBLDGQPPHZTTHU-UHFFFAOYSA-N 398.413 3.716 0 40 GHAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)c1cscn1)C2 643578333 SGYZELRFDORSJG-MSOLQXFVSA-N 384.549 3.843 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cs1 12255990 NHUFVHWHANSNDK-CYBMUJFWSA-N 397.475 3.863 0 40 GHAB CC(C)(C)c1cn2nc(N3CCN(Cc4csc(C5CC5)n4)CC3)ccc2n1 1888909673 CKQDICXBVSWIAV-UHFFFAOYSA-N 396.564 3.683 0 40 GHAB COc1cc(NC(=O)CCNC(=O)Nc2ccccc2)c(OC)cc1Cl 14093678 BPZHBAMNYBKTQU-UHFFFAOYSA-N 377.828 3.508 0 40 GHAB Cc1ccc(CN2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1 2037839888 DGDAOQQPYLMIFG-HSZRJFAPSA-N 382.479 3.922 0 40 GHAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)NN(c3ccccc3)C(=O)[C@H]12 706746 MZDCFULDBJGKEQ-NFJKTXFASA-N 380.447 3.762 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)NCCOC12CC3CC(CC(C3)C1)C2 4594588 WVTPWSBIUQFDMD-UHFFFAOYSA-N 393.549 3.576 0 40 GHAB CCCc1nnc(SCC(=O)N(c2ccccc2)C(C)C)n1-n1cccc1 4518618 FDYCGDGNLWPJIF-UHFFFAOYSA-N 383.521 3.877 0 40 GHAB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(C)c(F)c3)ccc21 11613013 CEBFQUXFIIIKEL-UHFFFAOYSA-N 397.494 3.594 0 40 GHAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 13695115 KZIKTDVHAVAUOV-UHFFFAOYSA-N 394.471 3.792 0 40 GHAB O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)c1cccc(F)c1 15882557 DTYHKLHEWKCJAA-JOCHJYFZSA-N 375.447 3.750 0 40 GHAB CN1CCN([C@@H](CNC(=O)c2ccc3ccccc3c2)c2ccsc2)CC1 22765628 PHPSGBXYSXMGAG-NRFANRHFSA-N 379.529 3.620 0 40 GHAB O=C(NCc1cccnc1)c1csc(Nc2ccc(OC(F)F)cc2)n1 23136848 SSDICNOLSHMLIZ-UHFFFAOYSA-N 376.388 3.813 0 40 GHAB CCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(F)cc4)no3)n2)cc1 23126870 ZGGJOKKWJHUIGH-UHFFFAOYSA-N 392.390 3.546 0 40 GHAB CC(=O)N(c1nnc(Sc2nc3cc(C)nn3c3ccccc23)s1)C1CC1 40071565 BWHQHDXORCSDFB-UHFFFAOYSA-N 396.501 3.709 0 40 GHAB CCN(CC)C(=O)[C@H](C)NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 40105169 SXYOXJBEFGWQHK-DJYGCBNOSA-N 376.806 3.745 0 40 GHAB COc1ccc(-c2c(C(=O)O)cc(O)c3cc(OC)c(OC)cc23)cc1OC 1704031 YVFLUMYESWQBRN-UHFFFAOYSA-N 384.384 3.945 0 40 GHAB O=C(Cc1ccccc1)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1 2136911 QWXUCPJQWWOKOL-UHFFFAOYSA-N 395.528 3.805 0 40 GHAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccco1)C[C@H]1CCCO1 20727221 QQYJEDHYCOPDNR-GOSISDBHSA-N 385.485 3.919 0 40 GHAB CC[C@@H]1CO[C@H](C)CN1C(=O)COc1ccc(Br)cc1Cl 32674191 CJDYRADRYCYFAH-ZYHUDNBSSA-N 376.678 3.507 0 40 GHAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cs2)c1 6680921 VFXGWXHLDVIGRE-CQSZACIVSA-N 378.519 3.729 0 40 GHAB Cc1ccc(NC(=O)C[C@@H](C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 6966153 XQCAEJRYRHEDLS-GOSISDBHSA-N 397.494 3.838 0 40 GHAB Cc1nnc(SCC(=O)N2CCc3ccccc3C2)n1-c1ccc(Cl)cc1 6969507 SDNSYBUTEGPEFH-UHFFFAOYSA-N 398.919 3.906 0 40 GHAB COc1ccc(NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 7400702 RPHPLSRXZAHEJS-SXYIGIQMSA-N 384.520 3.991 0 40 GHAB CN(CC(=O)Nc1nnc(-c2ccccc2)o1)Cc1ccccc1C(F)(F)F 32788603 LVULDHQUVHDUOT-UHFFFAOYSA-N 390.365 3.826 0 40 GHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100664329 GYOGOLMBCHDXQQ-ZQMBKUMFSA-N 398.462 3.805 0 40 GHAB COc1ccc2nc(NC(=O)[C@H]3CCCN3C(=O)c3cccs3)sc2c1 2630809 LZWRZKGHRQCOTO-CYBMUJFWSA-N 387.486 3.610 0 40 GHAB O=C(c1ccc2nccnc2c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8024316 MFLBZTMHPMXPMB-UHFFFAOYSA-N 386.377 3.611 0 40 GHAB CCc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 8414036 ZRJZDEOHLFQJLF-UHFFFAOYSA-N 388.851 3.803 0 40 GHAB COCCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(Cl)cc2)n1 8476806 LUQWKCSKMDJCMP-UHFFFAOYSA-N 384.867 3.662 0 40 GHAB CC[C@@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(C)cc1 32889805 NKRAGLXFDJCWCO-JOCHJYFZSA-N 381.520 3.778 0 40 GHAB COc1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 21927774 UXHAGVVAKRWUDV-UHFFFAOYSA-N 378.394 3.672 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)CC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1C 60928982 RPWOFQZOWNKXNL-UHFFFAOYSA-N 392.521 3.927 0 40 GHAB CC(=O)Nc1ccc(-c2cn3cc(I)ccc3n2)cc1 633473 HOYSIAJXWAXMDV-UHFFFAOYSA-N 377.185 3.564 0 40 GHAB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)o3)c2C(N)=O)C1 689094 HTGRZYWSCKIUPZ-MRVPVSSYSA-N 397.294 3.970 0 40 GHAB Cc1cccc(N2CCN(C[C@H](O)COc3cccc4ccccc34)CC2)c1 27386127 LYVGGIYZANVOGQ-QFIPXVFZSA-N 376.500 3.710 0 40 GHAB CCc1cccc(CC)c1N(COC)C(=O)Cn1c([C@H](C)O)nc2ccccc21 888776 VFEQPDFBYXLXSL-INIZCTEOSA-N 395.503 3.852 0 40 GHAB COc1ccccc1NC(=O)Cn1cnc2c(-c3ccccc3)csc2c1=O 23126357 ZWAPXIROEBZAJU-UHFFFAOYSA-N 391.452 3.772 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](C(=O)OCc3nc(C)no3)[C@H]2c2cccs2)cc1 23373300 HGAJXSKCOGOHCY-KXBFYZLASA-N 397.456 3.586 0 40 GHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(O)n(Cc2ccccc2)c(=O)n1 3134870 VMNUKVYSVUZDSS-UHFFFAOYSA-N 390.226 3.556 0 40 GHAB Cc1ccc(N2C(=O)N(CN(C)Cc3ccc(Cl)s3)C(=O)[C@H]2C)cc1 24601243 SEIYACCKFVRRDP-CYBMUJFWSA-N 377.897 3.957 0 40 GHAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1ccc(Br)cc1 25671956 MGALSSKFOVVXIT-OAHLLOKOSA-N 381.270 3.618 0 40 GHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccncc1 12539991 GAWZTRQPAZGRPG-UHFFFAOYSA-N 388.349 3.724 0 40 GHAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 100750214 AKQJVCYMGPJCCQ-IXFSTUDKSA-N 383.511 3.989 0 40 GHAB Cc1c(NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cccc1N1CCCC1=O 47845549 QXIHUXFCNOBNQE-AWEZNQCLSA-N 381.432 3.733 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2noc(-c3ccccc3)n2)cc1 28527205 ZSWZWPPSYNTVKQ-UHFFFAOYSA-N 383.429 3.644 0 40 GHAB CCc1ccc(NC(=O)c2sc3ncn(C[C@H]4CCCO4)c(=O)c3c2C)cc1 35673325 HSNFMJBKHILMAJ-MRXNPFEDSA-N 397.500 3.760 0 40 GHAB CCOc1ccc(NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)cc1 113964481 DNNXHIRPIZDHQB-UHFFFAOYSA-N 376.478 3.514 0 40 GHAB NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)cc1 2206886 ZUTBCLSMUUKPFO-UHFFFAOYSA-N 379.272 3.819 0 40 GHAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)C1CCN(Cc2ccccc2)CC1 58428162 OTSCSFDVVUPOOU-HXUWFJFHSA-N 395.522 3.680 0 40 GHAB O=C(Nc1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1)C1CC1 10669144 RIRZXSJCWPWCHY-UHFFFAOYSA-N 398.406 3.532 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)Nc1cnc2ccccc2c1 45258031 IHNOYALGNIQKKQ-UHFFFAOYSA-N 393.262 3.807 0 40 GHAB CC[C@H](NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1 45404810 CRIXYSIXYPINPC-DOMZBBRYSA-N 377.838 3.975 0 40 GHAB COc1ccc(C(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)c(OC)c1 3340803 IMLDTIUNAJMUET-UHFFFAOYSA-N 384.306 3.642 0 40 GHAB NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 2435304 XFPJWGTUTWLZCM-UHFFFAOYSA-N 399.859 3.826 0 40 GHAB COc1cccc(NC(=O)CCCc2nc(-c3ccc(OC)c(OC)c3)no2)c1 2433356 PVUJHKPTKNJAFG-UHFFFAOYSA-N 397.431 3.724 0 40 GHAB O=C(NCc1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2Cl)CC1 12795643 IFWSWDSRHTWLEP-UHFFFAOYSA-N 392.286 3.661 0 40 GHAB O=S(=O)(c1ccc(-c2csc(-c3ccsc3)n2)cc1)N1CCOCC1 8102689 BNLLBIVYXPIMAQ-UHFFFAOYSA-N 392.527 3.560 0 40 GHAB Cc1ccccc1-c1cc(NC(=O)c2ccc(O)nn2)n(Cc2ccccc2)n1 48342798 IHTBCUAZGNGEPL-UHFFFAOYSA-N 385.427 3.655 0 40 GHAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C(C)(C)C)cc1 3584412 JHLQOILZMULLOL-UHFFFAOYSA-N 395.547 3.891 0 40 GHAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc(OC)c1 12943542 VFNYBYJWYBTEJY-MUPIXQSSSA-N 395.455 3.852 0 40 GHAB O=C(CN(Cc1ccco1)Cc1cccs1)c1c[nH]c(C(=O)N2CCCC2)c1 12924419 UAMHPBINSGWIJC-UHFFFAOYSA-N 397.500 3.790 0 40 GHAB CCN(C(=O)CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O)c1ccccc1 13102483 ZKVAUVMZDKPEHS-OAQYLSRUSA-N 399.878 3.550 0 40 GHAB CC1=CC(C)(C)NC(=O)N1c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1 4176782 CAMGEKDISHJLDS-UHFFFAOYSA-N 386.473 3.975 0 40 GHAB CCCCn1c(SCc2csc(C)n2)nc2cc(S(N)(=O)=O)ccc21 6166030 TXIZQWDCFPEUJS-UHFFFAOYSA-N 396.563 3.541 0 40 GHAB Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1CCc1ccccc1 6290102 UXSQQCLVPRIYHS-UHFFFAOYSA-N 376.456 3.708 0 40 GHAB Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(F)cc4)s3)CC2=O)cc1 13944278 UERKXESMMCVXDS-AWEZNQCLSA-N 396.447 3.758 0 40 GHAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCCOc1ccccc1 13944992 VBABSBZRAFEMEB-UHFFFAOYSA-N 382.489 3.650 0 40 GHAB CC(C)CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 6561286 RHPZWBSURNALGF-IYICPGQYSA-N 392.565 3.640 0 40 GHAB CCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@@H]1c1ccc(OC)cc1 4816982 MOFCTCKTOPCRAO-RTBURBONSA-N 392.459 3.773 0 40 GHAB CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)c1 67236043 FTUVIRXGGATYDH-UHFFFAOYSA-N 398.488 3.547 0 40 GHAB CCn1nc(NS(=O)(=O)c2ccc(OC)cc2)c2cc3cccc(C)c3nc21 9109060 ZOJGAONMHCOBTQ-UHFFFAOYSA-N 396.472 3.722 0 40 GHAB Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccs4)s3)CC2=O)cc1C 9199388 DVJQDSQDDDLFCN-ZDUSSCGKSA-N 398.513 3.989 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)c1C 9246337 UPBLBVZKTJGRPK-UHFFFAOYSA-N 386.448 3.601 0 40 GHAB Cc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)S2 9236477 XWGCZBWWTBNBHJ-HOTGVXAUSA-N 385.880 3.638 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 19600476 GUYRZDDFMGFQCL-UHFFFAOYSA-N 375.808 3.929 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 19600070 FUBWZMZNGQKMRV-JTQLQIEISA-N 392.290 3.858 0 40 GHAB COc1ccc(-c2ccc3c([C@H]4CN(Cc5ccco5)CCO4)nnn3c2)cc1 306131196 JYKUUSPVBAUQMT-OAQYLSRUSA-N 390.443 3.571 0 40 GHAB Clc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4ccncc4)no3)c2CO1 97078164 OBNRQOHTPASFTR-INIZCTEOSA-N 379.807 3.920 0 40 GHAB CC[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1cccc(C(C)=O)c1 9593308 KEUHEIRAGGCERC-KRWDZBQOSA-N 395.488 3.589 0 40 GHAB CCOc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)sc2c1 9582181 NQAYUEAMBREEFR-ZDUSSCGKSA-N 381.457 3.687 0 40 GHAB CCCCc1noc(CN2CCC3(CC2)C[C@H]3c2nc(-c3cccnc3)no2)n1 71890637 PVCNTEXGTWERJD-INIZCTEOSA-N 394.479 3.627 0 40 GHAB CO[C@@H](CNC(=O)[C@H](NC(=O)c1cccs1)C(C)C)c1ccc(Cl)cc1 72296781 OPMQIQVKIGBKCV-DOTOQJQBSA-N 394.924 3.660 0 40 GHAB COC(=O)c1ccsc1NC(=O)C(=O)N[C@@H](C)c1csc2ccccc12 72305055 SSBUEQJRHLVTCL-JTQLQIEISA-N 388.470 3.565 0 40 GHAB CC(C)n1ccc2c(NC(=O)CNc3nc(Cl)nc4[nH]cnc34)cccc21 72400887 ICAJJZIGJBKSDB-UHFFFAOYSA-N 383.843 3.593 0 40 GHAB Cc1cc(C)nc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 95972435 XODOQPCLVURALI-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB CC(=O)OCCc1cccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1 95996804 WAMXKDKODGLUHX-UHFFFAOYSA-N 383.448 3.574 0 40 GHAB C[C@@H](Oc1ccccc1F)c1nnc(SCc2nnnn2-c2ccccc2)o1 9951630 CYVUVWSHRLORJP-GFCCVEGCSA-N 398.423 3.617 0 40 GHAB COc1ccc(Nc2ccccc2NC(=O)Cn2c(=O)oc3ccccc32)cc1 9945473 CDLHFBXNDITYGO-UHFFFAOYSA-N 389.411 3.985 0 40 GHAB Cc1ccc(-n2ncc(Br)c(Br)c2=O)cc1Cl 22156453 BPGGOOAXWJFAOX-UHFFFAOYSA-N 378.451 3.719 0 40 GHAB CCOc1ccc(S(=O)(=O)NC2CCCC2)cc1NC(=O)c1ccccc1 408553930 ADZPHVPERJKPEE-UHFFFAOYSA-N 388.489 3.559 0 40 GHAB COc1ccc(C(C)=O)cc1Cc1nc(-c2cccc(-c3n[nH]c(C)n3)c2)no1 547176588 NQCMHXNIJONNQA-UHFFFAOYSA-N 389.415 3.632 0 40 GHAB C[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C[C@H](C2CC2)O1 547764902 RXSCWJAXSKHHPS-OXQOHEQNSA-N 388.471 3.574 0 40 GHAB Cc1cccc(N2CCN(CCCCNC(=O)Cc3ccccc3Cl)CC2)c1 32068223 YVGSKYIBJWJRAK-UHFFFAOYSA-N 399.966 3.910 0 40 GHAB Cc1ccc(-c2cnc3n2C2(CCN(Cc4nccs4)CC2)COC3)cc1 306139452 SXQHCZCGFYRPQF-UHFFFAOYSA-N 380.517 3.837 0 40 GHAB C[C@@H]1[C@@H](N2CCCC2)Oc2cc3c(cc2[C@H]1c1ccc2c(c1)OCO2)OCO3 73243046 HUHDVMDXIICRPL-QYDGOFIISA-N 381.428 3.726 0 40 GHAB O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccc(C(F)(F)F)cc1 31722486 NNOZOOYSPDQHAF-UHFFFAOYSA-N 381.379 3.751 0 40 GHAB CCN(CC)C(=O)CN1CCC[C@H](c2ccc(Nc3cccc(C)n3)cn2)C1 72353262 VBPUHLNUKFNTRN-SFHVURJKSA-N 381.524 3.576 0 40 GHAB O=C(CCc1ccccc1)NC1CCN(C(=O)c2ccc(Cl)cc2F)CC1 32924962 PCYRFRZLMKGOKL-UHFFFAOYSA-N 388.870 3.833 0 40 GHAB COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H](C)Nc2ncnn21 36701553 VFSIWQINXIDRHZ-RZAIGCCYSA-N 397.866 3.598 0 40 GHAB CCn1nc(C)c2nc(SCc3cccc(F)c3)n(Cc3ccco3)c(=O)c21 64817519 MKJZRGSPXJFLPE-UHFFFAOYSA-N 398.463 3.994 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1C 33559750 UKNHZQBRYCSAII-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB CN(C(=O)c1cccc(NC(=O)Cc2ccccc2C(=O)O)c1)C1CCCCC1 71285286 OXJFGKGXZHHBTA-UHFFFAOYSA-N 394.471 3.971 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40140053 NAKQZWYEIWYNEM-UHFFFAOYSA-N 397.381 3.663 0 40 GHAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2cc(Cl)cc(Cl)c2)c1 40096664 OTBHDLMBTKGGHI-HNNXBMFYSA-N 385.247 3.866 0 40 GHAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(CC)c1 223684954 FCXDDJVFJLIVAQ-UHFFFAOYSA-N 390.505 3.588 0 40 GHAB Cc1ccc(NC(=O)C2CCN(C(=O)NCc3cccs3)CC2)cc1F 44227595 OXDAZWQRBUHPLY-UHFFFAOYSA-N 375.469 3.756 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)NCCc2ccc3c(c2)OCO3)n1 44209036 CIOKCWSNDUSHQU-UHFFFAOYSA-N 378.432 3.582 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)C(C)C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225225881 RKVRRQDSGZSJDK-XHDPSFHLSA-N 395.352 3.699 0 40 GHAB COC(=O)c1ccc(CN2CCC(c3nnc(-c4ccco4)s3)CC2)cc1 49366315 KYEAFWKNUVOQFJ-UHFFFAOYSA-N 383.473 3.964 0 40 GHAB Cc1cc(C)nc(Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)n1 225918298 HDHWRWYLPBSLCT-UHFFFAOYSA-N 387.487 3.799 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1 225419562 ZHJGBTODXSLJKC-RBUKOAKNSA-N 396.531 3.878 0 40 GHAB O=S(=O)(NC[C@H](O)c1csc2ccccc12)c1ccc(F)c(Cl)c1 225696053 QNBLOCIFINDXRN-HNNXBMFYSA-N 385.869 3.706 0 40 GHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CC1 223300737 LFNGBGOPMADCPB-YYWHXJBOSA-N 396.560 3.986 0 40 GHAB O=C(c1cnc(-c2ccc(Cl)cc2)nc1)N1CCN(c2ccccc2)CC1 222607211 RQLKOKIIZHMWCJ-UHFFFAOYSA-N 378.863 3.759 0 40 GHAB COc1cccc(N[C@@H]2COC3(CCN(C(=O)c4ccccc4F)CC3)C2)c1 96221453 OAOURXMMJDVBKR-KRWDZBQOSA-N 384.451 3.710 0 40 GHAB CCc1cc(NC(=O)c2nnn(CCOc3ccc(F)cc3)c2C)ccc1F 585082131 MEGROBJCOSBPKN-UHFFFAOYSA-N 386.402 3.758 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(C1CCCCC1)CC2 253591090 JCOVILCFVSITPQ-BPAFIMBUSA-N 398.551 3.583 0 40 GHAB CC(C)(CO)NC(=O)Cc1ccc2c(c1)C[C@@](C)(Cc1ccc(Cl)cc1)O2 257254551 KDPKCLQMTDYADA-JOCHJYFZSA-N 387.907 3.706 0 40 GHAB O=C(NCC1CCOCC1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257289349 PYFZQASOHMIQOI-UHFFFAOYSA-N 394.515 3.631 0 40 GHAB CN1CCN(C(=O)C2CCCCC2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257269610 MQRDKXMWIFIXNC-QFIPXVFZSA-N 391.515 3.541 0 40 GHAB Cc1ccc(C(=O)NC2CCN(C(=O)Cc3nsc4ccccc34)CC2)cc1 633902825 OFKHMVJBFDINAS-UHFFFAOYSA-N 393.512 3.568 0 40 GHAB COc1cccc(C2(NC(=O)Nc3cccnc3-c3cnn(C)c3)CCC2)c1 666845834 YKJWOVGLFBTEMJ-UHFFFAOYSA-N 377.448 3.692 0 40 GHAB CC(C)Cc1ccc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)cc1 608224751 AACHKVKCAGAVAN-UHFFFAOYSA-N 395.547 3.764 0 40 GHAB COc1ccccc1COc1cc(NC(=O)COc2ccccc2Cl)ncn1 90593671 ABKNMPZZUSWWHZ-UHFFFAOYSA-N 399.834 3.735 0 40 GHAB C[C@@H](OC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)C(=O)c1ccc(F)cc1 62479405 MVOAWTGLGIHMDC-NOZJJQNGSA-N 381.812 3.848 0 40 GHAB c1nc(N2CCOC3(CCCC3)C2)nc(N2CCOC3(CCCC3)C2)c1C1CC1 677957889 ZSGLRBXGGNWLMT-UHFFFAOYSA-N 398.551 3.653 0 40 GHAB C[C@@H]1CC(=O)O[C@H](C(=O)c2ccccc2)N1c1ccc(C(F)(F)F)cc1N 5550803 LQUBXNYLNJMAAV-ADLMAVQZSA-N 378.350 3.638 0 40 GHAB Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 12406965 HDVLIIDIBNEQBC-ZBFHGGJFSA-N 399.445 3.880 0 40 GHAB Cc1ccc(C)c(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)c1 15880899 NDBCZVLNSLXDHK-UHFFFAOYSA-N 384.487 3.759 0 40 GHAB O=C(O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O 16909921 SIIZHKHJESMOBN-CXUHLZMHSA-N 387.388 3.526 0 40 GHAB CC(=O)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19016578 DQTBHIPFBDEVMU-LLVKDONJSA-N 380.395 3.812 0 40 GHAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)CCOC)C3)noc2n1 19521952 QAYPGJFJQRMQHS-NSHDSACASA-N 385.386 3.547 0 40 GHAB COc1ccccc1CN1CCC([C@H](NC(=O)C2CC2)c2ccccn2)CC1 19570093 TXCFIMYIWUMDIH-QFIPXVFZSA-N 379.504 3.570 0 40 GHAB Cc1cc(C)nc(N2CCO[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)n1 19692935 GHZGAQVTBIEANT-NRFANRHFSA-N 378.451 3.796 0 40 GHAB COc1ccc(-c2nc(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)cs2)cc1 19717292 DITDIZGLEPQWJA-LBPRGKRZSA-N 384.505 3.530 0 40 GHAB O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 19932480 KRDMKNUQEHINPO-UHFFFAOYSA-N 378.881 3.813 0 40 GHAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O 6326869 PDHBRBQTZHTUMZ-NTUHNPAUSA-N 398.278 3.685 0 40 GHAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)oc3cc(C)c(C)cc23)C1=O 4305913 PUAIFFZKWXGDJN-QHCPKHFHSA-N 390.439 3.767 0 40 GHAB O=C(Nc1ccc(OCCN2CCCC2)cc1)c1cc2ccccc2oc1=O 1150953503 KEEUZHYLENCORI-UHFFFAOYSA-N 378.428 3.520 0 40 GHAB CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1OC 35783800 GFLGVBYICQBKCE-NRFANRHFSA-N 395.503 3.723 0 40 GHAB O=C(NCc1cccnc1-c1cccnc1)[C@@H]1CCCN1c1nc2ccccc2o1 238867797 MEGYFAKVPZRDFT-IBGZPJMESA-N 399.454 3.570 0 40 GHAB CN(CC1CCN(c2cnc3ccccc3n2)CC1)c1ncnc(C2CC2)c1F 2087061346 SQPIXQORQWGWOI-UHFFFAOYSA-N 392.482 3.789 0 40 GHAB CCc1cnc2c(c1SCc1cccc3ccccc13)c(=O)n(C)c(=O)n2C 4942099 GBEPJLAOEFUVNJ-UHFFFAOYSA-N 391.496 3.640 0 40 GHAB Cc1ccc(-n2nnnc2CNC(=O)C2c3ccccc3Oc3ccccc32)cc1 9570624 DTXPLAATJQSSAA-UHFFFAOYSA-N 397.438 3.525 0 40 GHAB Cc1cc(C)c(CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c(C)c1 9837449 JUWYYFHKXWWBCN-ROUUACIJSA-N 382.851 3.759 0 40 GHAB COc1ccccc1C1(CNC(=O)COc2ccc(Cl)cc2)CCOCC1 16969799 PAAWFYLJCCFGOC-UHFFFAOYSA-N 389.879 3.592 0 40 GHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Nc3ccc(F)cc3)cc21 22504027 LUHRGESSQRARSG-UHFFFAOYSA-N 391.468 3.962 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 23140233 WZSPKYITRQTCEU-ZDUSSCGKSA-N 383.429 3.547 0 40 GHAB CCOc1ccccc1NC(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206845475 KXHRQPIFBKYXHO-INIZCTEOSA-N 394.431 3.766 0 40 GHAB O=C(NCc1nc(-c2ccccc2)no1)c1csc(Nc2ccccc2)n1 36709290 HULNDBFKUIJYJM-UHFFFAOYSA-N 377.429 3.867 0 40 GHAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)OCO3)C1 77200106 FSCGEIDJMRWQSY-SJORKVTESA-N 382.416 3.705 0 40 GHAB CCc1ccc(N2C[C@H](c3nc(-c4ccc(N(C)C)cc4)no3)CC2=O)cc1 9320957 MTSNNELCMMMVQE-QGZVFWFLSA-N 376.460 3.886 0 40 GHAB CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 780401 MVNLESHUXIXCSP-UHFFFAOYSA-N 382.460 3.585 0 40 GHAB Cc1cc(Cl)ccc1N1C(=O)C[C@H](NNc2nc3ccccc3s2)C1=O 986397 PLAYBMWYNWAIPR-ZDUSSCGKSA-N 386.864 3.507 0 40 GHAB CCCOc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 7980039 GLRMTDWSYJXYJO-UHFFFAOYSA-N 398.411 3.593 0 40 GHAB O=C(CSc1nc2ccccc2s1)Nc1nc(=O)c2ccccc2s1 9041427 CDSRLWVJBXWOAB-UHFFFAOYSA-N 385.495 3.997 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)c1C 21675681 MUHVBXZMXJVXIA-WBMJQRKESA-N 382.460 3.747 0 40 GHAB O=C(Oc1ccccc1Cl)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102549964 WCXLMFRKQVALBF-KODHJQJWSA-N 393.826 3.871 0 40 GHAB C[C@H]1Cc2cc(C(=O)NC3CCCCC3)ccc2N1S(=O)(=O)c1ccccc1 10324860 XEEAJFYLEOZCPH-INIZCTEOSA-N 398.528 3.889 0 40 GHAB CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCc2cc(OC)c(OC)cc2C1 32901288 VVIIIVWVGNSKNN-QGZVFWFLSA-N 387.480 3.556 0 40 GHAB Cc1nnsc1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 11913957 FQNAGVRQUHCOBA-UHFFFAOYSA-N 383.911 3.896 0 40 GHAB CCc1ccc(-c2noc(CSc3nnnn3-c3cccc(F)c3)n2)cc1 8941304 MFYBGNLZTINRDR-UHFFFAOYSA-N 382.424 3.706 0 40 GHAB CCN(C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CC)c1cccc(C)c1 57521745 XBOOLWMFBLAVCY-UHFFFAOYSA-N 384.505 3.507 0 40 GHAB Cc1c(Br)c(C(F)F)nn1[C@@H](C)c1nnc(-c2ccccn2)o1 2803556 WQUSGKIHOZJBBG-QMMMGPOBSA-N 384.184 3.946 0 40 GHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)CS(=O)(=O)CCCc1ccccc1 59251962 NLGYPDXYXUYQOI-YSIASYRMSA-N 379.566 3.611 0 40 GHAB CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)c2ccccc12 944050 HATAYPKRBWHIBE-UHFFFAOYSA-N 397.452 3.815 0 40 GHAB O=C(OCCCN1C(=O)c2ccccc2C1=O)c1cccc(C(F)(F)F)c1 24659756 QFFRRARQDJNSMT-UHFFFAOYSA-N 377.318 3.549 0 40 GHAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)OCc1ccc(F)cc1Cl)(C3)C2 101469274 YGLPQPAKIPESAQ-RCRDTURJSA-N 379.859 3.997 0 40 GHAB COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(F)cc2)N2CCCC2)cc1 23486576 MDWCTNVOJNFOQI-IERDGZPVSA-N 386.467 3.555 0 40 GHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(-c3nc4ccccc4[nH]3)cc1)CS2 23680302 OKMMKRAUOPKPLG-DYESRHJHSA-N 392.484 3.622 0 40 GHAB COc1ccc([C@@H](CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)NC(C)=O)cc1 23764766 VDCPXAIKWBSKSG-RNODOKPDSA-N 390.430 3.760 0 40 GHAB CCC[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2cc(C)ccc2C)CC1 57671144 QAHVATLSCNSWOQ-FQEVSTJZSA-N 394.523 3.595 0 40 GHAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cn(Cc2ccccc2)nn1 24361514 AHEODLFIJVHYGO-UHFFFAOYSA-N 397.410 3.980 0 40 GHAB O=C(COc1cccc2[nH]ccc12)N1CCC(O)(c2ccc(Cl)cc2)CC1 12408008 DTKZLUWBZGZLES-UHFFFAOYSA-N 384.863 3.710 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)c1c(O)n2c3c(cccc3c1=O)CCC2 1297287 REQBCUKKGMBXFE-UHFFFAOYSA-N 388.345 3.924 0 40 GHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 22446609 BJWLIQNCLGRWFV-KELGSRBJSA-N 388.596 3.643 0 40 GHAB CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 12544808 AAWTYUXGDOVVCH-ZIAGYGMSSA-N 392.443 3.689 0 40 GHAB COc1ccc(CN(C)Cc2cc(=O)oc3cc4c(cc23)CCC4)c(OC)c1 57484009 QDFLCXMZIZYPKC-UHFFFAOYSA-N 379.456 3.931 0 40 GHAB O=C(OCC(=O)N1CCc2ccccc21)c1c2c(nc3ccccc13)CCCC2 3216595 UEKIAYLDIQBRNP-UHFFFAOYSA-N 386.451 3.860 0 40 GHAB aggregator Cc1cc(Br)ccc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1 21336712 UQBHUHDXWRDORI-UHFFFAOYSA-N 387.233 3.663 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(N2CCOCC2)c1 108562161 SRLVVCSMXYLBGI-UHFFFAOYSA-N 384.524 3.564 0 40 GHAB CCN1CCN(Cn2nc(-c3ccc(F)cc3)n(-c3ccccc3)c2=S)CC1 22036779 RYDUVIQMSJVALN-UHFFFAOYSA-N 397.523 3.804 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(OC)c(OC)c1 28189458 MHGXZAWLMLCJHD-CSKARUKUSA-N 399.472 3.877 0 40 GHAB CC[C@@H](CNC(=O)c1ccc(Br)o1)N1CCc2ccccc2C1 29909197 IUEJABBGKJBHPG-HNNXBMFYSA-N 377.282 3.609 0 40 GHAB Cc1ccc(C(=O)C2CCN(Cn3nc(C4CC4)n(C)c3=S)CC2)c(C)c1 36395587 QFHLGXKVSYHFOQ-UHFFFAOYSA-N 384.549 3.998 0 40 GHAB Cc1ccc(CNC(=O)COC(=O)c2ccc(F)cc2Br)cc1F 10984894 NLYHVVSSNHGXAA-UHFFFAOYSA-N 398.203 3.509 0 40 GHAB COc1ccc(CCCN(C)C(=O)c2cc(O)nc3ccccc23)cc1OC 12888266 HJTCKLWHETUNFP-UHFFFAOYSA-N 380.444 3.662 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc2c(s1)CCC2 8341758 KMDMKNXZMBVNAY-UHFFFAOYSA-N 387.892 3.789 0 40 GHAB CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC)CC3)cc2)cc1 4120446 PPVBSBGYPXNBRI-UHFFFAOYSA-N 395.503 3.786 0 40 GHAB Cc1ccccc1[C@H](OC[C@H](O)CN1CCCC[C@@H]1CCO)c1ccccc1 4164680 VESGNTBUUJOFAR-CQOQZXRMSA-N 383.532 3.699 0 40 GHAB O=C(CC1(C(=O)OCc2cccc3ccccc23)CCCC1)N1CCOCC1 6083565 ADXRTBFPWZTELT-UHFFFAOYSA-N 381.472 3.692 0 40 GHAB C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N(C)c1ccccc1 5018608 KSGUCHGPRYHVIW-GFCCVEGCSA-N 383.429 3.609 0 40 GHAB Cc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 5163557 GWWOGPRNWFCWKK-OAQYLSRUSA-N 385.529 3.948 0 40 GHAB CC(C)c1ccccc1N(CC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O 22380299 SIDGUKFEBKYIID-UHFFFAOYSA-N 380.897 3.868 0 40 GHAB Cc1ccc(C(=O)Oc2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)cc1 39932571 ZUXLLZFNBQXSQK-UHFFFAOYSA-N 392.436 3.775 0 40 GHAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(C(C)(C)C)no2)cc1 5259816 YMRYDAGEZQUVJY-UHFFFAOYSA-N 385.493 3.900 0 40 GHAB COc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1Cl 13957474 LLNBLWUNHAVFMD-UHFFFAOYSA-N 385.836 3.767 0 40 GHAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCN(C(=O)C4CC4)CC3)c2c1 14121902 TXZILXATKUGIKW-UHFFFAOYSA-N 399.494 3.905 0 40 GHAB COc1ccc2c(C)c(CC(=O)Nc3ccc(F)cc3F)c(=O)oc2c1OC 6660611 YQUJBMKJFRLLPG-UHFFFAOYSA-N 389.354 3.578 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NC1CCCCC1 6628169 LLRDJKCADLRGGP-INIZCTEOSA-N 381.314 3.652 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 8990431 CCNXNZVZTVIZSW-GOSISDBHSA-N 375.472 3.978 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c1C 6887280 KKGPLHBPOALVQN-UHFFFAOYSA-N 382.338 3.648 0 40 GHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)c1 7506876 OJOPYZDCDMQNDJ-RMKNXTFCSA-N 375.808 3.552 0 40 GHAB C[C@H](c1ccccc1)N(C)C(=O)CSc1nnc(-c2ccncc2)n1C1CC1 7617129 ZVUUBMVIRXLJEE-OAHLLOKOSA-N 393.516 3.987 0 40 GHAB COc1ccc(-c2nc(CC(=O)Nc3ncc(C)s3)cs2)cc1OC 7777553 HOLFIIMHRAHASS-UHFFFAOYSA-N 375.475 3.773 0 40 GHAB CC(C)Oc1ccc(C2N3CC4(C)CN2CC(c2ccccc2)(C3)C4=O)cc1 19323622 WQKGUHFOMOPKER-UHFFFAOYSA-N 376.500 3.631 0 40 GHAB biogenic COc1cc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc(OC)c1OC 9259163 WEGBJGKTUMWQAU-UHFFFAOYSA-N 386.448 3.949 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3O)n2C)c1 9328496 NDLOTBDVPRZQDE-UHFFFAOYSA-N 388.880 3.880 0 40 GHAB C[C@H](NC(=O)c1cc[n+]([O-])cc1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 89904493 XPJSTKMJMNKFCN-JTQLQIEISA-N 377.231 3.508 0 40 GHAB O=C(O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cc(F)c(F)c(F)c1F 84392609 HMGQJICEVLPBCN-MRXNPFEDSA-N 385.288 3.559 0 40 GHAB COc1cccc2[nH]cc(CC(=O)NCc3cc(Br)ccc3F)c12 95466005 OSKYVFZDSJQJPO-UHFFFAOYSA-N 391.240 3.937 0 40 GHAB Fc1ccc(-c2csc3ncnc(NCCc4nnc5n4CCC5)c23)cc1 95947065 GZVTYOQHHVYJAC-UHFFFAOYSA-N 380.452 3.690 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccc(Cl)c2)CC1 9989990 XBHCHVLZEQDHMA-UHFFFAOYSA-N 385.847 3.846 0 40 GHAB C[C@]1(C(=O)NCc2nc3ccccc3s2)CCCN(C(=O)c2ccccc2)C1 78876952 DYDZPWYETOZNAM-QFIPXVFZSA-N 393.512 3.855 0 40 GHAB CCO[C@H]1C[C@@H](NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)C12CCCC2 78935352 PSVPGVKTZKPAJD-MSOLQXFVSA-N 391.943 3.805 0 40 GHAB CCCNC(=O)CCC(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 79050825 NSALSEWLXAXQKR-UHFFFAOYSA-N 392.503 3.769 0 40 GHAB Cc1ccc(S(=O)(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2C)cc1 1548338253 SKYSIWPSMUNJAC-UHFFFAOYSA-N 378.457 3.549 0 40 GHAB O=S(=O)(NCc1ccc(-n2ccnc2)c(F)c1)c1ccccc1C(F)(F)F 60066244 YMEDIRVCMZVGGU-UHFFFAOYSA-N 399.369 3.509 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 31103303 VOTSRUVSAANMIO-INIZCTEOSA-N 383.492 3.818 0 40 GHAB O=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1 32295082 AQXISLLVPNSELW-UHFFFAOYSA-N 394.271 3.851 0 40 GHAB CN(Cc1ccc(O)cc1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 531261060 NOQPYYDNUCFZJO-JOCHJYFZSA-N 388.467 3.912 0 40 GHAB COc1ccc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)cc1CO 36740538 BBPLEUJCRGDQIP-UHFFFAOYSA-N 397.563 3.894 0 40 GHAB O=C1[C@H](N(Cc2c(F)cccc2F)C2CCCC2)CCN1CC(F)(F)F 78922633 ZWYRMURMMKICCK-MRXNPFEDSA-N 376.369 3.873 0 40 GHAB COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@@](O)(C(F)(F)F)C2)cc1 32100942 AUHDMJZONJNSNC-KRWDZBQOSA-N 398.768 3.850 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2ccnc(-c3cccnc3)n2)C1 72335822 JWFJOTPQNLEOSL-GOSISDBHSA-N 376.435 3.626 0 40 GHAB COc1cc([C@@H](C)NC(=O)c2cc(-c3ccccc3)no2)cc(OC)c1OC 40111798 NWZLTOFAQRJTRY-CYBMUJFWSA-N 382.416 3.858 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)cc1 222966398 WDNUVOPJCZSXHN-IBGZPJMESA-N 388.895 3.581 0 40 GHAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1 223443451 AYOGYVDIXKTWNQ-PMACEKPBSA-N 378.501 3.899 0 40 GHAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 222918927 DOKDVZQXOUENFY-AWEZNQCLSA-N 393.314 3.742 0 40 GHAB COc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1OC 44851738 ZRMSRHQBRLKUTG-UHFFFAOYSA-N 396.531 3.665 0 40 GHAB Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c1C 225475459 PVNXHUJUKUHSJJ-LJQANCHMSA-N 382.504 3.624 0 40 GHAB O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)N1CC[C@@H](c2nc[nH]n2)C1 570678096 CQIPWMXBFAIUFW-GFCCVEGCSA-N 394.306 3.732 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccccc3)c2)c1 224128970 NCOAHWMNGAJOTP-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB COC(=O)c1ccccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)C(C)C 41077033 AJWCSKRGDPCSHN-UHFFFAOYSA-N 393.443 3.757 0 40 GHAB O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1cccc(Cl)c1 49408611 FBNOSTLABMWTIB-UHFFFAOYSA-N 398.875 3.778 0 40 GHAB C[C@@H](COc1ccccc1)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 224466840 JOTLPJSFOSMXOU-SZHLLGMXSA-N 390.439 3.634 0 40 GHAB CC[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220500725 KPDQOTQNZISLSA-GOSISDBHSA-N 394.924 3.509 0 40 GHAB Cc1cccc(OCCNC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 40068857 YXPBXRNXEZGMQE-INIZCTEOSA-N 381.476 3.783 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 223282279 NSWODPMYZBRAFI-INIZCTEOSA-N 388.458 3.841 0 40 GHAB CCOc1cc(N(CC)CC)ccc1C(c1c(C)n[nH]c1O)c1c(C)n[nH]c1O 96193548 ZQXLSFVACYAGDT-UHFFFAOYSA-N 399.495 3.586 0 40 GHAB O=S(=O)(NNc1cc(C(F)(F)F)cc(Cl)n1)c1ccccc1Cl 96190130 BMGGZEGMTNIJIS-UHFFFAOYSA-N 386.182 3.713 0 40 GHAB Cc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3cccnc3)CC2)cc1 96037087 RRURGOOUDUCJHM-UHFFFAOYSA-N 387.531 3.690 0 40 GHAB Cn1cc(-c2cnc(-c3cccc(F)c3)nc2)cc1C(=O)NCc1ccccn1 96147649 KPENIZVZCJTQAP-UHFFFAOYSA-N 387.418 3.613 0 40 GHAB Cc1ncncc1C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257226954 FMYXGOLPHAZIFS-MRXNPFEDSA-N 380.423 3.523 0 40 GHAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4ncccc4C)C3)o2)c1 257292901 QNKLOLNJXLMRGO-SFHVURJKSA-N 391.471 3.997 0 40 GHAB O=C(c1cnco1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257324878 WQOMNRCILLFPQB-MAUKXSAKSA-N 388.851 3.863 0 40 GHAB O=C(c1cccc2c3c([nH]c12)CCCC3)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 681752924 QMQFDSJOUDGKQH-DEOSSOPVSA-N 385.467 3.783 0 40 GHAB COc1ccc(NC(=O)NC[C@@H]2Cc3ccccc3CO2)c(Br)c1 626354988 LLDWKTDBZKOERG-HNNXBMFYSA-N 391.265 3.721 0 40 GHAB O=C(NC1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1)c1ccsc1 585104453 NLFQSMRVOWTVOS-UHFFFAOYSA-N 386.492 3.631 0 40 GHAB Cc1cc(C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)cnn1 585113699 QFZAGCCJBMDEJB-GOSISDBHSA-N 379.382 3.921 0 40 GHAB CC(=O)Nc1cc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)ccc1F 58178865 SQZOIEITRRTWCT-MRXNPFEDSA-N 379.432 3.512 0 40 GHAB COc1ccc([C@@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccco2)cc1 1041527 HMYLMANNHRRXRU-VQTJNVASSA-N 377.396 3.854 0 40 GHAB CC1CCN(c2ccnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)n2)CC1 1554502614 UAFCNLREDYPSNN-IXDOHACOSA-N 376.570 3.746 0 40 GHAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)OCC(C)C)C3=O)c[nH]c12 8088000 QQIGVPOBRAXRQY-PXNMLYILSA-N 386.473 3.966 0 40 GHAB O=C(NCCOc1ccccc1)NC[C@H](O)c1ccc(-c2ccsc2)cc1 1775966873 JXNXWVCPEASORE-FQEVSTJZSA-N 382.485 3.827 0 40 GHAB CCn1c2cc(C)sc2c2cnn(CC(=O)Nc3ccc(F)cc3)c(=O)c21 12156814 HJBZZKGKIBBAME-UHFFFAOYSA-N 384.436 3.519 0 40 GHAB O=C(CCC1CCCC1)N1CCC[C@H](c2nc(O)cc(-c3ccncc3)n2)C1 12256862 YTNUFRLPVNLYEQ-SFHVURJKSA-N 380.492 3.921 0 40 GHAB Cc1ccccc1-c1cc(C[C@]2(C(=O)O)CCCN(C(=O)CC(C)C)C2)on1 12366466 DLWRRTRVRKYDBA-JOCHJYFZSA-N 384.476 3.932 0 40 GHAB O=C(CSc1nc2ccccc2o1)Nc1nc2cc3c(cc2s1)OCCO3 13014408 VRUBKFVOLBELFS-UHFFFAOYSA-N 399.453 3.940 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CC4CCCC4)C3)cc2n1 13225617 QMXKNHNJPROXRO-CQSZACIVSA-N 380.414 3.953 0 40 GHAB CCn1cc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(=O)c2cc3c(cc21)OCO3 13691314 IYQWNOUHOQAQKE-PSLXWICFSA-N 396.487 3.791 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cn(-c2ccccc2)nc1-c1ccccc1 15542187 QILIXSQFPUHKCE-UHFFFAOYSA-N 395.422 3.961 0 40 GHAB CCn1cc([C@H](NC(=O)c2ccc(O)nc2)c2ccc(F)cc2)c2ccncc21 19524840 XUPZHKRJOCWDKE-OAQYLSRUSA-N 390.418 3.815 0 40 GHAB CC(=O)Nc1cc(C)c(S(=O)(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cc1C 19567459 ZKPQCRNGOJOSEN-UHFFFAOYSA-N 399.516 3.838 0 40 GHAB Cc1cc(C)c2[nH]c(CCC(=O)NCCCc3nc4cc(F)ccc4[nH]3)nc2c1 19568397 NRLZUENTQMMKNK-UHFFFAOYSA-N 393.466 3.877 0 40 GHAB COc1ccccc1NC(=O)c1cc([C@@H]2CCCN(Cc3ccncc3)C2)no1 19571332 NLMSVQPKDSOIAW-QGZVFWFLSA-N 392.459 3.710 0 40 GHAB CC(C)OCC(=O)N1CCC[C@H](c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 19706051 SBHSBBFDXNRYOM-KRWDZBQOSA-N 399.466 3.604 0 40 GHAB CNC(=O)c1cc([C@@H]2CCN(C(=O)CCc3ccccc3)C2)nc2ccccc12 19754577 RXSGTMFJAXMARM-GOSISDBHSA-N 387.483 3.543 0 40 GHAB Cc1ccnc(SCc2cc(=O)c(OC(=O)/C=C/c3ccccc3)co2)n1 4377299 YZABIRKDTFXYCO-BQYQJAHWSA-N 380.425 3.649 0 40 GHAB CC(C)CC(=O)O[C@@H](COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O 15273414 AEXJMQYVIPHZDJ-HNNXBMFYSA-N 388.416 3.647 0 40 GHAB endogenous,in-man COc1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cc1OC 3474127 LCQXJIPZZZAUMX-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB COCCCn1c(C)cc(C(=O)CSc2nncn2-c2ccccc2)c1C 5621952 PMYUONJNGRNOSP-UHFFFAOYSA-N 384.505 3.697 0 40 GHAB Cc1ccccc1-n1ncc(C(=O)NCCCN2CCC(C)CC2)c1C1CC1 29758648 DJRQAHKGXMIMSZ-UHFFFAOYSA-N 380.536 3.910 0 40 GHAB CC1CCN(Cc2ccc(CNS(=O)(=O)c3cc(F)ccc3F)cc2)CC1 30008426 NMXQLENYWGUMOC-UHFFFAOYSA-N 394.487 3.675 0 40 GHAB Cc1ccc(OCC2CCN(C(=O)c3ccc(Br)s3)CC2)nn1 1775986037 QJGYNFMOBKFZGZ-UHFFFAOYSA-N 396.310 3.540 0 40 GHAB O=C(CN1CCCCC1)Nc1cscc1S(=O)(=O)c1ccc(Cl)cc1 2037845965 OVNBXQKICLCGBW-UHFFFAOYSA-N 398.937 3.659 0 40 GHAB COc1ccccc1NC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 12416042 QGVDLKKLASHLDE-UHFFFAOYSA-N 386.407 3.957 0 40 GHAB O=c1[nH]c(SCc2nc(-c3cccc(Cl)c3)no2)nc2ccsc12 16842916 MJFUJABXRIZUOM-UHFFFAOYSA-N 376.850 3.980 0 40 GHAB COC(=O)c1c(NC(=O)c2ccco2)sc2c1CCN(Cc1ccccc1)C2 23153745 FSZCHNYOHLGRMK-UHFFFAOYSA-N 396.468 3.938 0 40 GHAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1cc(O)nc2ccccc12 575615390 DSORYAILAAAGKL-UHFFFAOYSA-N 388.374 3.546 0 40 GHAB CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cc(C)c(C)cc1C 2493434 VRGQEUMLBDTTMD-UHFFFAOYSA-N 391.470 3.522 0 40 GHAB C[C@H](NC(=O)c1cn(-c2cccc(Br)c2)nn1)c1ccccc1F 40073682 RSGZDYUBRJEQOT-NSHDSACASA-N 389.228 3.660 0 40 GHAB Cc1cc2occ(CC(=O)NCCNC(=O)c3ccc(Cl)cc3)c2cc1C 40051627 USSUFGLXHRTNBS-UHFFFAOYSA-N 384.863 3.792 0 40 GHAB Cc1nn2c(=O)cc(CSc3nccn3-c3cccc(C)c3C)nc2s1 40119306 ORSUUWGNYZGSDW-UHFFFAOYSA-N 383.502 3.554 0 40 GHAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1 8088303 DVDVDZIDWMTJHK-UHFFFAOYSA-N 383.473 3.516 0 40 GHAB Cc1ccc(N2CCN(CCCN3CCN(c4cccc(C)c4)CC3)CC2)cc1 2022101 KAIFYSPLOOIVRV-UHFFFAOYSA-N 392.591 3.638 0 40 GHAB COc1ccc(OS(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 3014386 BNGVOFDCFGRBIK-UHFFFAOYSA-N 383.425 3.715 0 40 GHAB CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 3411182 XYUFXBASRZJTOA-UHFFFAOYSA-N 386.908 3.875 0 40 GHAB COc1ccccc1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 32643403 VZNBZYCSJWEGSY-UHFFFAOYSA-N 387.486 3.576 0 40 GHAB CCCn1c(O)c(C(=O)Nc2ccccc2C(=O)OCC)c(=O)c2ccccc21 4339537 XIPIZZLFQHNUMX-UHFFFAOYSA-N 394.427 3.546 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 4982024 MPPRMKQPZPPZQF-NJYVYQBISA-N 388.398 3.877 0 40 GHAB CCCCn1nnnc1NCc1ccc(OCc2ccc(F)cc2)c(OC)c1 7262146 IZVBUMRINLSVQZ-UHFFFAOYSA-N 385.443 3.812 0 40 GHAB CN(C)[C@H](CNC(=O)c1ccc(N2CCCCCC2)nc1)c1cccc(F)c1 32809288 IZEKGROMEVAQRX-HXUWFJFHSA-N 384.499 3.634 0 40 GHAB CCN1CCc2nc3ccccc3c(C(=O)NCc3cccc(OC)c3)c2C1 32990833 DKPRHBIVXPVFAE-UHFFFAOYSA-N 375.472 3.551 0 40 GHAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2ccccc2)cc1 8346106 ONBACMKLJITQNN-UHFFFAOYSA-N 391.471 3.937 0 40 GHAB CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H]1CCc2ccccc21 32905643 DPOCZQVAIUXCHA-NRFANRHFSA-N 380.463 3.824 0 40 GHAB Cn1ncc2c(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)ncnc21 21755026 ODNGOKSHGAWZMO-UHFFFAOYSA-N 392.366 3.724 0 40 GHAB O=C(/C=C/c1c(F)cccc1Cl)NC[C@@H](c1cccs1)N1CCOCC1 29844238 UFURNJNPICPRDZ-LXXRFIIISA-N 394.899 3.744 0 40 GHAB CCCCCN(C(=O)CCc1ccc(S(=O)(=O)NC)cc1)[C@@H](C)CCC 58169219 XSQRSCSMUHRRHA-KRWDZBQOSA-N 382.570 3.735 0 40 GHAB CCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2F)CC1 57670619 PMXKATAHXCDNCS-OAQYLSRUSA-N 394.498 3.524 0 40 GHAB Cc1cccc(NC(SCc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 9974339 YBBJDJQXSUFMJN-UHFFFAOYSA-N 395.484 3.602 0 40 GHAB CC(C)[C@@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1 22424073 YZEFDSJAERRPNO-JOCHJYFZSA-N 381.520 3.715 0 40 GHAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCc2sccc2C1 22597368 PRNMIBBPKAHGOL-LBPRGKRZSA-N 378.494 3.532 0 40 GHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCCCOc1ccc(F)cc1 9154862 ZSNNESDRENIBCA-SFHVURJKSA-N 388.464 3.604 0 40 GHAB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1O 57582244 JJYOFZVACUOFKH-MFOYZWKCSA-N 380.198 3.908 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1OC 104121339 FXMCUCYXLOMDPO-QBYUYEEZSA-N 399.491 3.627 0 40 GHAB COc1cc(NC(=O)[C@H](C)OC(=O)CCn2ccc3ccccc32)cc(OC)c1 23024615 GHMOSZOQVGZXAG-HNNXBMFYSA-N 396.443 3.619 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)c1nc(Cc2c[nH]c3ccccc23)no1 12296351 LQQRTHQQIKPCMB-UHFFFAOYSA-N 385.427 3.596 0 40 GHAB biogenic COc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1Br 1085373 DEGXRVDBXQAQBM-UHFFFAOYSA-N 377.238 3.693 0 40 GHAB C[C@H](NC(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccc(F)c(F)c1 24094008 QVEMBYNLJPCDHJ-NSHDSACASA-N 382.357 3.630 0 40 GHAB CCn1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)c(=O)c2ccc(C)nc21 12322453 LCMKKSASPGXECB-UHFFFAOYSA-N 391.349 3.876 0 40 GHAB CCn1nc(C)cc1NC(=O)c1ccn(COc2cc(C)c(Cl)c(C)c2)n1 28244973 SAZYYRWFIVZSKG-UHFFFAOYSA-N 387.871 3.967 0 40 GHAB O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 25767921 AYGFOWFKPQNPHR-CQSZACIVSA-N 377.469 3.777 0 40 GHAB CC(C)N(C)CC1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 58086710 WBLVTUVASFBBON-UHFFFAOYSA-N 380.536 3.553 0 40 GHAB O=C(COC(=O)c1cccc(OCc2ccc(F)cc2)c1)NCc1cccs1 25077253 QPJZIGMOXDZGRC-UHFFFAOYSA-N 399.443 3.939 0 40 GHAB c1ccc(Cn2cc(CNCc3nnc4ccccn34)c(-c3ccccc3)n2)cc1 58111414 QGUCOKPBCMWOMZ-UHFFFAOYSA-N 394.482 3.931 0 40 GHAB COc1nc2ccccc2nc1N1CCC[C@H](C(=O)N[C@H](C)c2ccccc2)C1 44803480 WVMLDCJOIMGYNG-AEFFLSMTSA-N 390.487 3.732 0 40 GHAB CCOC(=O)c1sc(NC(=O)CN2CCc3sccc3[C@H]2C)cc1C 10227257 FOMSVCWSYGTAFU-GFCCVEGCSA-N 378.519 3.853 0 40 GHAB Nc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1-c1ccccc1 27757416 IGWDFTFNQWYEJP-UHFFFAOYSA-N 394.287 3.887 0 40 GHAB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1nc2ccccc2s1 3228149 QMSHWKWFCMTAMT-UHFFFAOYSA-N 388.470 3.822 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)N[C@H](C)c2ccc(Br)cc2)cc1 36395720 VFFFMJNSQIBFEC-ZIAGYGMSSA-N 391.309 3.813 0 40 GHAB Cc1cc(C)cc(OCC(=O)N2N=C(CCC(C)C)C[C@@]2(O)C(F)(F)F)c1 408956562 RHSKNZLMUGKEIK-GOSISDBHSA-N 386.414 3.958 0 40 GHAB COc1cccc(-c2nnc(SCc3ccc(Br)cc3)n2N)c1 2409257 OXJURLGXUAYUJT-UHFFFAOYSA-N 391.294 3.722 0 40 GHAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc(C)cc1 408916926 IXBFOJXMOQBWHV-CXUHLZMHSA-N 386.835 3.806 0 40 GHAB O=S(=O)(c1ccc(F)c(F)c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8225194 XHYXMNXJXGMCLO-UHFFFAOYSA-N 395.427 3.827 0 40 GHAB Cc1ccc(NC(=O)CSCC(=O)Nc2cc(F)c(N(C)C)c(F)c2)cc1 48310263 CXLRPTXGDBLKRH-UHFFFAOYSA-N 393.459 3.650 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12990423 KEYICCMQFOEFDM-HXUWFJFHSA-N 375.490 3.832 0 40 GHAB COc1cccc(CNC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 17070040 TXUYEJZYRJLYBL-UHFFFAOYSA-N 378.476 3.839 0 40 GHAB CCn1cc(NC(=O)Cn2c(C)c(Br)c3ccccc32)ccc1=O 69492889 JIWWXNBZOLJVQZ-UHFFFAOYSA-N 388.265 3.533 0 40 GHAB CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCC(C)(C)c2cccc(C)c2)c1 63435332 DOVDQPXLNYHQEH-UHFFFAOYSA-N 395.503 3.684 0 40 GHAB O[C@H](CSc1nnc(N2CCCC2)s1)c1cccc(Br)c1 64656892 BVFWUOVJHRHMJP-GFCCVEGCSA-N 386.340 3.727 0 40 GHAB Cc1ccccc1Nc1nc(-c2cnc(N3CCC(C)CC3)nc2C)cc(=O)[nH]1 39383682 KZXWJIPIIRZRMN-UHFFFAOYSA-N 390.491 3.824 0 40 GHAB O=C(c1ccsc1)N1CC[C@@]2(C1)Cn1c(-c3cccc(F)c3)cnc1CO2 306129815 INSVJJGDBQSDDO-HXUWFJFHSA-N 383.448 3.566 0 40 GHAB Cc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 5149272 MKGQPAKGURQIAM-OAQYLSRUSA-N 385.529 3.948 0 40 GHAB CCCOc1c(Br)cc(/C=C2\SC(=O)NC2=O)cc1OCC 13843846 KKLMZTJDBVJOGH-WQLSENKSSA-N 386.267 3.961 0 40 GHAB Cc1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C 6253968 ZBEZNUGDNULSIC-AWEZNQCLSA-N 385.851 3.544 0 40 GHAB CC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccc(Cl)cc1)N2 65298525 LGEABCXSHGWXSN-LJQANCHMSA-N 397.906 3.908 0 40 GHAB biogenic O=C(COC(=O)COc1ccc2c(c1)CCC2)Nc1ccc(Cl)cc1F 5241706 PZDZQLXKAZKWAX-UHFFFAOYSA-N 377.799 3.529 0 40 GHAB CCC[C@@H]1CC(=O)Oc2c(C(=O)[C@H](C)[C@@H](C)O)c(O)c3c(c21)OC(C)(C)C=C3 6381041 QVXVUACNNIWBIU-JHJVBQTASA-N 388.460 3.969 0 40 GHAB biogenic CCOc1ccc(N2C[C@@H](C(=O)Nc3cccc4cccnc34)CC2=O)cc1 6649445 RLZRSTQJFGNGPH-INIZCTEOSA-N 375.428 3.625 0 40 GHAB Cn1c(Cc2cccs2)nnc1SCC(=O)N[C@@H]1CCCc2ccccc21 4790729 HIDCUFCQKMTSNA-QGZVFWFLSA-N 398.557 3.753 0 40 GHAB CCN1CCN(c2ncnc3c2sc2nc(C(C)C)c4c(c23)CCC4)CC1 5888754 QVVNTKXSBIXMTQ-UHFFFAOYSA-N 381.549 3.994 0 40 GHAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(NCC(C)(C)N2CCCCC2)nc1 15172930 WHRFDUBJWQJMEF-UHFFFAOYSA-N 396.601 3.566 0 40 GHAB Cc1csc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)n1 7195406 KKRWURACNBSCJV-UHFFFAOYSA-N 375.519 3.855 0 40 GHAB C[C@@H]1CN(C(=O)c2ccccc2N(C)C(=O)C2CC2)C[C@H](c2ccccc2)O1 67830762 HSJZBGUFQZPCQL-IIBYNOLFSA-N 378.472 3.662 0 40 GHAB COc1ccc(C(=O)N[C@H](NCc2ccccc2)C(Cl)(Cl)Cl)cc1 19333762 NTWRKEFHDSJKQG-INIZCTEOSA-N 387.694 3.911 0 40 GHAB biogenic CN1CCN(c2ccccc2NC(=O)CCCc2c[nH]c3ccccc23)CC1 7718878 QEYMFDXCSRWCBW-UHFFFAOYSA-N 376.504 3.881 0 40 GHAB Cc1nn(C)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 7885083 DGMONOZZHYHARW-HXUWFJFHSA-N 376.416 3.537 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCN(c2cccc(C)c2)CC1 16297563 QRHXRTCIFJCPJL-HSZRJFAPSA-N 389.499 3.608 0 40 GHAB O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccco1)c1ccc(Cl)cc1 408843454 MTHUPWZXXXODDD-UHFFFAOYSA-N 380.787 3.834 0 40 GHAB C[C@H](Nc1cnn(Cc2ccccc2)c(=O)c1Cl)c1ccc2c(c1)OCO2 71793330 PUXSOLFOPKKMTF-ZDUSSCGKSA-N 383.835 3.847 0 40 GHAB C[C@H](c1nnc(-c2cccs2)o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9516176 NEAYNWXNRMWAOL-CYBMUJFWSA-N 395.488 3.839 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)[C@@H]2CCCCN2C(=O)C2CCCC2)cc1C 84077071 LAPTVUZINOQIGN-FQEVSTJZSA-N 385.504 3.909 0 40 GHAB CCn1nc(C)c(CN(C)C(=O)c2ccc(COc3ccc(OC)cc3)o2)c1C 28236819 XGAQLXVNRMWIKY-UHFFFAOYSA-N 397.475 3.973 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc2[nH]c(=O)sc2c1 72307867 QCCRPUZPNIHMOK-UHFFFAOYSA-N 378.457 3.573 0 40 GHAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCn2ncc(=O)c3ccccc32)o1 72303803 DYKFMHDBPCRSIY-BEFAXECRSA-N 379.460 3.688 0 40 GHAB O=C(C1=Cc2cc(Cl)ccc2OC1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 95451203 VZHNWPBGKHTNAS-QAPCUYQASA-N 391.801 3.729 0 40 GHAB CC(C)(C)c1ccc(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)cc1 60335153 ZPBSHSKDZFBEGM-UHFFFAOYSA-N 376.460 3.640 0 40 GHAB Cc1cccc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4ccsc4)ccc2S3(=O)=O)n1 306124541 BTIRPXYHHIPDBC-PZJWPPBQSA-N 396.537 3.874 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2ccccc2F)on1 30040711 RNAMTHYKFIDKMU-UHFFFAOYSA-N 387.798 3.845 0 40 GHAB CCCC1=NN(C(=O)c2cccc(Br)c2)[C@@](O)(C(F)(F)F)C1 32138920 RSCICMJRUKGCLN-ZDUSSCGKSA-N 379.176 3.702 0 40 GHAB O=C(Cc1ccccc1Cl)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70655854 ICTCIZBCXHHPSK-UHFFFAOYSA-N 392.890 3.688 0 40 GHAB CCn1ccc(-c2cc(C(=O)N[C@@H](C)CCc3ccco3)c3c(C)noc3n2)n1 36618000 ILKMZCGSBQYBTH-ZDUSSCGKSA-N 393.447 3.759 0 40 GHAB O=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1ccccc1Cl 77200534 ZAALKKVVENWEJB-UHFFFAOYSA-N 393.878 3.709 0 40 GHAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1ccnn1C 72370754 TUUNAPKIXBXTPQ-MRXNPFEDSA-N 396.560 3.982 0 40 GHAB CN1CCC(C(=O)N2CCC[C@@H](c3cncc(-c4cccc(Cl)c4)n3)C2)CC1 72359851 SDBBHQBOYXIBCW-GOSISDBHSA-N 398.938 3.845 0 40 GHAB COc1ccccc1-c1cccc([C@H]2CCCN(C3CCN(C(C)=O)CC3)C2)n1 72350191 KNYNSKIRDUYSAR-IBGZPJMESA-N 393.531 3.948 0 40 GHAB Cc1cc(C)c(N(CCCC(=O)NCC2CCCCC2)S(C)(=O)=O)c(C)c1 224824861 GYXMRFDAMNPVES-UHFFFAOYSA-N 394.581 3.855 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccc(C)cc3C)ccc21 225397461 SRLNRMJWBYKBQI-INIZCTEOSA-N 386.517 3.642 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)on1)N1CCN(C/C=C/c2ccccc2)CC1 224069462 ZMZBOPSSIQQTNJ-QPJJXVBHSA-N 391.446 3.952 0 40 GHAB CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(N2CCCCS2(=O)=O)c1 224394286 AKQFLIPYQNKXNP-UHFFFAOYSA-N 392.908 3.542 0 40 GHAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(NC(C)=O)cc3)o2)c1 224848143 MVVFDTDIWKXCPP-UHFFFAOYSA-N 379.416 3.880 0 40 GHAB Cn1cc(C(=O)NCCCCCc2nc3ccccc3[nH]2)c2ccccc2c1=O 96116597 PAVMHQYSLODZLU-UHFFFAOYSA-N 388.471 3.558 0 40 GHAB C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)Cc1ccccc1C(F)(F)F 245224832 GEMHHPVBFHHPKK-WWGRRREGSA-N 391.455 3.704 0 40 GHAB CCc1ccc(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)cc1 257270561 MUSMRZPNDOYNSE-HSZRJFAPSA-N 398.478 3.565 0 40 GHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 260772104 MLQXEHAAZLEJJB-AHRSYUTCSA-N 384.549 3.691 0 40 GHAB O=C(NCc1cc(-c2ccccc2)no1)N1CCO[C@@H](c2ccccc2F)C1 589763120 PUXLURZBHWHVIX-HXUWFJFHSA-N 381.407 3.764 0 40 GHAB C[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 622766424 ZAQDWARZISVTOY-WEYGHZABSA-N 379.504 3.814 0 40 GHAB O=C(O)[C@@H]1CN(C(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)C[C@H]1c1ccc(Cl)cc1 630173590 QFAIYYUIGLUENB-UHZRXMQZSA-N 381.859 3.553 0 40 GHAB CCOc1ccccc1Oc1ccccc1C(=O)NCc1nnn(C(C)(C)C)n1 654083726 UJPAJTPIQGZOPJ-UHFFFAOYSA-N 395.463 3.549 0 40 GHAB O=C(c1ccccc1C(F)(F)F)N1CCC(N[C@@H]2CCCn3ccnc32)CC1 655756866 JXQPJMXVWWSJJA-QGZVFWFLSA-N 392.425 3.631 0 40 GHAB C[C@H](NC(=O)c1cc2c(N(C)C)ncnc2n1C)c1cccc(C(F)(F)F)c1 673814686 ICUZUZBABBETSE-NSHDSACASA-N 391.397 3.544 0 40 GHAB CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)c2ccc(F)cc2)CC1 5063878 GBOXTRXXNRKFJY-UHFFFAOYSA-N 383.463 3.995 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)o2)cc1 5788776 BMFAWVLXAIFFQO-UHFFFAOYSA-N 383.473 3.962 0 40 GHAB O=C(CCC1CCCC1)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12256375 GGARPUAEEDTJRD-UHFFFAOYSA-N 380.492 3.921 0 40 GHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 14256699 XMWNGALCEPIEEB-UHFFFAOYSA-N 377.462 3.843 0 40 GHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N(Cc1c(F)cccc1Cl)C1CC1 14857449 IHQRZAXJOJNQIW-UHFFFAOYSA-N 399.853 3.839 0 40 GHAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H](COc3ccccc3F)C1)CO2 19562338 DQWFAYVBXNENKH-WMZOPIPTSA-N 399.462 3.703 0 40 GHAB CCn1cc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cn1 19689959 HHPJGARXYWVPMU-HXUWFJFHSA-N 394.498 3.902 0 40 GHAB c1ccc(CN2CC[C@@H](c3ccc4c(NCc5ccccn5)n[nH]c4n3)C2)cc1 19704411 ALTNUSHYSRFLDW-GOSISDBHSA-N 384.487 3.955 0 40 GHAB CC[C@H](C)n1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 6247090 OEBMXGCDSUZVEU-BGARDKSCSA-N 391.427 3.867 0 40 GHAB O=C(O)[C@@H]1CC[C@@H](C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)CN1 630687737 IBQHRKWVIHYQJM-NJAFHUGGSA-N 378.900 3.530 0 40 GHAB Cc1ccccc1C1=NO[C@@H](C[C@@]2(C(=O)O)CCCN(C(=O)CC(C)C)C2)C1 19236930 ZRLSDNXYNNASJW-VGSWGCGISA-N 386.492 3.618 0 40 GHAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)[C@@H]1C 4979831 GGXAALFNHOXMQN-BFYDXBDKSA-N 398.459 3.630 0 40 GHAB COc1ccc(CN2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)cc1 1888930579 FLCKDQBUXJPMFZ-UHFFFAOYSA-N 377.488 3.626 0 40 GHAB Clc1cnn(CC2CN(c3ccc4ccc(Br)cc4n3)C2)c1 1889191561 OBPGCHAOFBDELH-UHFFFAOYSA-N 377.673 3.984 0 40 GHAB Cc1ccc(C(=O)N2CCN(Cc3csc(-c4ccco4)n3)CC2)cc1F 30649896 ACFYBCZVCVSPFL-UHFFFAOYSA-N 385.464 3.809 0 40 GHAB CCOC(=O)[C@@]1(C)C=C(Nc2ccc(OCC)cc2)C(=O)N1c1ccccc1 2343001 QLJKDEXFKOHEPG-JOCHJYFZSA-N 380.444 3.750 0 40 GHAB CCOc1ccc(-c2nnc(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)o2)cc1 2720341 FKVBOJZABKAMEA-KBPBESRZSA-N 375.494 3.732 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)NC1CCCC1 4341646 RUFLGEMCPOBWBY-UHFFFAOYSA-N 387.896 3.620 0 40 GHAB COc1cccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2)N2CCOCC2)c1 23105930 RBJBYYANZJKSOP-LJQANCHMSA-N 389.883 3.544 0 40 GHAB O=C(CSc1cc(-n2cccn2)ncn1)Nc1cc(Cl)ccc1Cl 49403994 LMQRNBSDCYATLO-UHFFFAOYSA-N 380.260 3.700 0 40 GHAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H](Oc2ncc(F)cn2)C1 575613190 POPMCXJQMYKZTH-FQEVSTJZSA-N 377.419 3.966 0 40 GHAB CN(C)[C@@H](CNS(=O)(=O)c1c(F)cccc1F)c1csc2ccccc12 575620910 MUDUEQGIKRNBOX-INIZCTEOSA-N 396.484 3.761 0 40 GHAB O=C(Nc1ccc(Cn2cncn2)cc1)c1cc(C2CC2)nn1-c1ccccc1 24631148 HSPFGEYIHXOGGW-UHFFFAOYSA-N 384.443 3.642 0 40 GHAB COC(=O)c1nn(Cc2coc(-c3ccc(Cl)cc3)n2)c(=O)c2ccccc12 222377547 JGVJFFQXJZHCSQ-UHFFFAOYSA-N 395.802 3.540 0 40 GHAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(c3cccc(F)c3)[C@@]1(C)Oc1ccccc12 100029721 MSYUJBRIVGNFNE-ZWOKBUDYSA-N 386.448 3.549 0 40 GHAB NC(=O)c1ccccc1NC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100918312 HYOOXJUGVNTTSC-NYYJTOMGSA-N 391.309 3.848 0 40 GHAB Cn1c(SCc2nnc(S)n2-c2ccccc2)nnc1-c1ccccc1 2523152 DUAUEUKKFYFOIT-UHFFFAOYSA-N 380.502 3.644 0 40 GHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 969754 INZOFKUYDOPEOW-FBBABVLZSA-N 398.528 3.571 0 40 GHAB CCc1nc(SCC(=O)Nc2cc(OC)ccc2OC)c2ccccc2n1 1332518 KDWGAYYVQZOUET-UHFFFAOYSA-N 383.473 3.940 0 40 GHAB O=C(NCc1ccccc1F)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 1379855 HLDHXFNWRLKSAD-KRWDZBQOSA-N 375.831 3.792 0 40 GHAB Cc1ccc(C)c(OC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1C 21336797 JPKDDCUWLCNOSJ-WHEQGISXSA-N 386.492 3.654 0 40 GHAB CN(C)[C@H](CNc1cc(C(=O)NC2CC2)c2ccccc2n1)c1cccs1 32837516 LGRMLCFJQOUYRO-GOSISDBHSA-N 380.517 3.903 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1 7218136 SXSIPDPBUDBJFM-JTQLQIEISA-N 388.258 3.636 0 40 GHAB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 7247654 BNLNWDKEAGCCDM-UHFFFAOYSA-N 390.439 3.886 0 40 GHAB O=C(CCc1cccc(Cl)c1Cl)Nc1ccc(N2CCOCC2)cn1 32924484 AQICBPBJGXTZFI-UHFFFAOYSA-N 380.275 3.796 0 40 GHAB CCOC(=O)c1ccc(N[C@@](NC(=O)OC)(c2ccccc2)C(F)(F)F)o1 2654112 AAZVZCSKHNGOIT-MRXNPFEDSA-N 386.326 3.640 0 40 GHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@@H](C)c1cccs1 32908164 FQQAXBVNIQUFGB-JTQLQIEISA-N 375.519 3.896 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(=O)NC(C)C 10008971 DTROADYITOJNJH-UHFFFAOYSA-N 390.505 3.758 0 40 GHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\N=C(c2ccccc2Cl)OC1=O 100922172 NFDYDKWHOBCLGN-QJISPJEISA-N 379.803 3.566 0 40 GHAB COc1cc(CCc2cc(O)n3nc(C)c(-c4ccc(Cl)cc4)c3n2)on1 100776403 XSCCCZUJGLRNJD-UHFFFAOYSA-N 384.823 3.846 0 40 GHAB Cc1ccc(CNC(=O)c2nnc(CN3CCC[C@@H](C(F)(F)F)C3)s2)cc1 29937616 ABEATYGIGAZEQP-CQSZACIVSA-N 398.454 3.551 0 40 GHAB Cc1ccc(-c2cnn([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)c(=O)n2)cc1 33324602 QFUHBNXLQIDTET-AWEZNQCLSA-N 382.851 3.775 0 40 GHAB COc1ccc(-c2cc(NC(=O)c3ccc(=O)[nH]c3)ccc2OC(F)F)cc1 22131622 XRSYIVRUBWLBIS-UHFFFAOYSA-N 386.354 3.904 0 40 GHAB Cc1ccc(-c2nnc3s/c(=C\c4c(Cl)cccc4Cl)c(=O)n23)cc1 9189063 SPXLOBMYNBHGBY-DHDCSXOGSA-N 388.279 3.981 0 40 GHAB CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCC(C)C)c1=O 12016387 UDKASPPJNPQKCE-UHFFFAOYSA-N 375.472 3.983 0 40 GHAB C[C@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)N1CCCC1 22264962 UVTPPYSPJOMHCY-NSHDSACASA-N 380.311 3.942 0 40 GHAB CC[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)o3)c2C(N)=O)C1 689093 HTGRZYWSCKIUPZ-QMMMGPOBSA-N 397.294 3.970 0 40 GHAB C[C@@H](OC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)NCc1cccs1 8546736 GCBWJILTKBQRDA-MRXNPFEDSA-N 386.517 3.596 0 40 GHAB Cc1ccnc(NC(NC(=O)Cc2ccccc2)(C(F)(F)F)C(F)(F)F)c1 721321 HKLWJCFZCBUBPT-UHFFFAOYSA-N 391.315 3.982 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1 22752618 WVBBTHIFTSUWKH-JOCHJYFZSA-N 376.504 3.744 0 40 GHAB Cn1c(=O)n(C)c2cc(C(=O)N3[C@@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)ccc21 100166616 AKPHJBPFRULFFL-RTBURBONSA-N 393.462 3.567 0 40 GHAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN[C@@H](c1ccc(F)cc1)C(C)C 23678078 ROBYMTKAGZZBHR-DENIHFKCSA-N 389.467 3.764 0 40 GHAB COc1ccccc1/C=C/C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 24498136 ZOPUKYCGCROBCS-ZHACJKMWSA-N 393.512 3.663 0 40 GHAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 24975166 FILSFKPBMKBLQN-IBGZPJMESA-N 388.489 3.622 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)Oc3ccc(Br)cc3)CC2=O)cc1 1461464 DJGSFAOGJIWGOE-AWEZNQCLSA-N 388.261 3.970 0 40 GHAB O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2 107327726 VDWNSTPJAKLJJH-YDHLFZDLSA-N 379.298 3.660 0 40 GHAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc21 12565100 FHXNKFPPGJLJPW-NSHDSACASA-N 375.831 3.827 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1F 12507766 DKBRKAKKWNAOIN-SFHVURJKSA-N 375.806 3.800 0 40 GHAB COc1ccc(/C=C/c2nn3c(COc4ccc(OC)cc4)nnc3s2)cc1 35655366 OAUOPJUCDGQWDB-LFYBBSHMSA-N 394.456 3.952 0 40 GHAB COc1ccc(-c2nc(C(=O)Nc3cnc4c(c3)c(C)nn4C)cs2)cc1 22473008 JNAURKIQICRJGI-UHFFFAOYSA-N 379.445 3.661 0 40 GHAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 57985555 JFZYVMCVFFLBQC-SWLSCSKDSA-N 391.265 3.524 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)N3CC=C(c4ccccc4)CC3)CC2=O)cc1 10053856 QNCYYWJTERZFFA-HXUWFJFHSA-N 390.483 3.754 0 40 GHAB CCOCCCNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 27663478 QDOLGWMRMMVNSL-UHFFFAOYSA-N 376.478 3.629 0 40 GHAB Cc1cc(C(=O)Cn2c([C@H](C)O)nc3ccccc32)c(C)n1C[C@@H]1CCCO1 16045366 USUWIINVUWQYCV-IRXDYDNUSA-N 381.476 3.570 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1C 10783403 ROLBHLSSNAUKPM-UHFFFAOYSA-N 392.499 3.687 0 40 GHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(O)nc2ccccc12 11252041 AYHRBMKJXWJVNM-UHFFFAOYSA-N 390.361 3.949 0 40 GHAB Cc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1F 12752708 ROUGBMIRUXAVNN-UHFFFAOYSA-N 383.419 3.640 0 40 GHAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1O 12752202 FSMZHLNLAHYFDJ-MPNRVQBSSA-N 381.428 3.549 0 40 GHAB Cc1ccc(-n2nnnc2S[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 12782381 ZCVBPOAFJZFMEZ-LJQANCHMSA-N 393.516 3.817 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 12749844 XXTYFOHQKQCNFN-UHFFFAOYSA-N 379.456 3.810 0 40 GHAB COc1cc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)ccc1OC(F)F 7831286 NOWRZWFMSBPRPY-UHFFFAOYSA-N 387.386 3.755 0 40 GHAB CCOC(=O)C1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC1 12885630 MJTGTTNNLCMSNV-VMPLRXJPSA-N 389.536 3.576 0 40 GHAB biogenic COc1cccc(C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 12816470 INNMRMVXDRCERQ-UHFFFAOYSA-N 393.270 3.600 0 40 GHAB CN(CCC(=O)Nc1ccc(Cl)cc1F)CC(=O)Nc1cccc(F)c1 12906027 ZFWHHSJJDWRDFJ-UHFFFAOYSA-N 381.810 3.517 0 40 GHAB Fc1ccc(OCc2noc(CSc3ncn(-c4ccccc4)n3)n2)cc1 12998002 AZGVCYQACIDTEI-UHFFFAOYSA-N 383.408 3.661 0 40 GHAB CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2[nH]1 7986641 XVUBIPVWJIPDHJ-JLTOFOAXSA-N 394.450 3.568 0 40 GHAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 13009381 WERXUYJCAIKDCR-GFCCVEGCSA-N 377.238 3.533 0 40 GHAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1C 113957118 PWYPPQTTWPGZOB-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB Cc1onc2c(=O)n(C)nc(C(=O)N[C@H](c3ccc(C(C)(C)C)cc3)C(C)C)c12 65497985 REFRMNMSFWSLSR-KRWDZBQOSA-N 396.491 3.655 0 40 GHAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccncc2)no1 5305736 ODWUYUVZRTTXSR-IBGZPJMESA-N 387.395 3.851 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 14251533 URIHQSMOQABZTA-QGZVFWFLSA-N 397.500 3.515 0 40 GHAB O=C(CCOCC(F)(F)F)Nc1ccc(N2CCSCC2)c(Cl)c1 60307543 GCTJQTSVATXPPC-UHFFFAOYSA-N 382.835 3.801 0 40 GHAB Cc1cc(C(=O)Cn2nc(-c3cccs3)oc2=O)c(C)n1Cc1ccco1 8324849 NEVOLBLLSYGCPP-UHFFFAOYSA-N 383.429 3.507 0 40 GHAB Cc1cc(OCC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1Cl 8349473 UQVXPCQXWODCJR-HNNXBMFYSA-N 384.867 3.828 0 40 GHAB CCN(CC)CCn1cnc2c(c1=N)[C@H](c1ccccc1)c1ccc(O)cc1O2 6660552 ZRFYNVZVCZDWRP-HXUWFJFHSA-N 390.487 3.696 0 40 GHAB Cc1csc(NC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)n1 6609074 AESBHGVSZNJMLI-UHFFFAOYSA-N 380.425 3.706 0 40 GHAB Cc1c(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)oc2ccccc12 14731406 XIPYNWQJPNPSIW-UHFFFAOYSA-N 391.471 3.574 0 40 GHAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3nccs3)c(Cl)cc12 6758000 XFTZBFPXQRAYLN-UHFFFAOYSA-N 378.837 3.873 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nncn2-c2ccccc2F)cc1 4890398 MTPXPFJOOJFCNM-ZDUSSCGKSA-N 384.436 3.728 0 40 GHAB COc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccccc1)C(C)C 4894955 CIJVXOWNBUZUHK-UHFFFAOYSA-N 396.516 3.805 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3F)n[nH]2)cc1 4877785 CZTAXVCMNGDKCD-NSHDSACASA-N 399.451 3.689 0 40 GHAB COc1ccc(OC)c(NC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)c1 6806999 XIRQFHXSKPLAML-UHFFFAOYSA-N 388.427 3.933 0 40 GHAB CCc1ccc(OCC(=O)Nc2ccccc2I)cc1 15418043 ZVDBNYDRPLZUHN-UHFFFAOYSA-N 381.213 3.871 0 40 GHAB COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)n[nH]2)cc1 15679235 BMLSDOUPCDCZIF-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB Cc1ccc(N2N=C(C(=O)OC(C)(C)C)S(=O)(=O)c3cc(F)ccc32)cc1 15828781 FRYOOYZGDDHRMP-UHFFFAOYSA-N 390.436 3.715 0 40 GHAB CC[C@@H](C(=O)Nc1c(C)cccc1C)n1cccc(-c2nc(C3CC3)no2)c1=O 77100844 JRFZYURZTRNJDS-KRWDZBQOSA-N 392.459 3.982 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1C 8882533 QCLTWWUFRICVGO-QGZVFWFLSA-N 382.460 3.625 0 40 GHAB CCCCc1ccc(NC(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)cc1 9059972 PBQZBASBSPOLFB-UHFFFAOYSA-N 378.480 3.551 0 40 GHAB COc1ccc2c(C)c(CC(=O)Nc3cccc(C(C)=O)c3)c(=O)oc2c1C 9429107 GODLZUFOHFVHKN-UHFFFAOYSA-N 379.412 3.802 0 40 GHAB Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 20457682 DURZBHZOOLMHHJ-ROUUACIJSA-N 388.533 3.644 0 40 GHAB COC(=O)N(C)c1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 83869374 XIQNTGXDIYPFAC-VAWYXSNFSA-N 380.853 3.955 0 40 GHAB COC(=O)[C@H](C)[C@@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccccc1 72312102 YJEUHHBKMBTXKD-AUUYWEPGSA-N 397.862 3.806 0 40 GHAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc2ncccc2c1 79192407 OBXGNYNHWMFVBS-NQIIRXRSSA-N 387.391 3.797 0 40 GHAB biogenic Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc1C(F)(F)F 79307597 IIACZQMDEHGBMR-PBHICJAKSA-N 377.366 3.567 0 40 GHAB Cc1cc(CNC(=O)Cc2csc(N3CCCC3=O)n2)c2[nH]c(C)c(C)c2c1 89582702 OAMRXYRJLXKAOU-UHFFFAOYSA-N 396.516 3.535 0 40 GHAB CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 63848846 SEMFIPDQKIJEHZ-UHFFFAOYSA-N 381.453 3.950 0 40 GHAB O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CC(c2cccc(F)c2)=NO1 36397642 NZUGPDNIVFWTCQ-SFHVURJKSA-N 390.798 3.772 0 40 GHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)COc2ccccc2)n1 72379021 XJCCKXVETTYJDZ-LJQANCHMSA-N 376.460 3.572 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H](c2cccc(C(=O)Nc3ccccn3)n2)C1 72359892 AOBWRNIKYRFTHS-HNNXBMFYSA-N 382.464 3.843 0 40 GHAB COc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3coc(C)n3)C2)c1 72363255 AQAJSOLMPBQALR-OAHLLOKOSA-N 394.431 3.594 0 40 GHAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)c1ccccc1 217420467 CNJBWOBXYIDZHZ-CQSZACIVSA-N 376.478 3.636 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NCCCOC 30751509 DBBKXDVIHPUARO-HXUWFJFHSA-N 398.503 3.866 0 40 GHAB Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72384049 VSCNDOWSKAJANN-SFHVURJKSA-N 397.866 3.942 0 40 GHAB COc1ccc(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)nc2)c(OC)c1 72401524 FBISHWRCSRROIC-UHFFFAOYSA-N 394.383 3.872 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 224811491 BBFGALCLMCZZTK-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB C[C@@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccccc2)n1 225929643 WZEVEOABBVHXOE-CYBMUJFWSA-N 375.929 3.995 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 224879770 XBUHAASTUDHSAA-SFHVURJKSA-N 384.495 3.929 0 40 GHAB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1)Nc1ccccc1 225520339 UNAVLGONGBGBFF-WOJBJXKFSA-N 392.484 3.676 0 40 GHAB COC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 225054257 IKSILERDGNMTIK-UHFFFAOYSA-N 399.468 3.525 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 222954706 QUHSPKRFUXMJDC-OAQYLSRUSA-N 382.504 3.742 0 40 GHAB CC(C)c1ccc(CNC(=O)CCn2nc(-c3ccccc3)ccc2=O)cc1 41253523 VIPGAVQKOJRJMN-UHFFFAOYSA-N 375.472 3.740 0 40 GHAB Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224097060 BFDAZLNALDTXBH-FQEVSTJZSA-N 396.531 3.872 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)NC2CC2)c2ccccc23)o1 96053009 PPMZVKJRYOYJOA-KRWDZBQOSA-N 392.499 3.918 0 40 GHAB Cc1nc2nnc3ccc(C(=O)NCc4ccccn4)cc3c2n1C1CCCC1 96264289 GAONHPNCMLWUNR-UHFFFAOYSA-N 386.459 3.728 0 40 GHAB CN(Cc1ccccc1)[C@H]1COC2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1 96220981 QOTMFDATKSQDMX-OAQYLSRUSA-N 394.515 3.671 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)n1 257242311 IBWRQMSEDIVARX-LJQANCHMSA-N 382.439 3.582 0 40 GHAB O=C(NCc1ccc(Cl)cc1)NC[C@H](c1ccoc1)N1CCSCC1 253396166 DFLPIWJYADWVTG-QGZVFWFLSA-N 379.913 3.522 0 40 GHAB CC[C@H](C)CCC(=O)N1CCCCC[C@H](Nc2cc(-n3ccnc3)ncn2)C1 1615611236 YIYWAFGWWPPMMF-ROUUACIJSA-N 384.528 3.672 0 40 GHAB O=C(O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)Cc2coc3cc(Cl)ccc23)C1 630203828 KWGBTQVMHBKHMK-KOLCDFICSA-N 389.757 3.740 0 40 GHAB O=C(c1ccc(F)cc1Cl)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390830520 LOKKOJRKHJVAGR-OAHLLOKOSA-N 387.885 3.543 0 40 GHAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCC(c2cccs2)CC1 96120593 GRRGFJBANQPTAY-UHFFFAOYSA-N 385.457 3.764 0 40 GHAB CCOc1ccccc1C(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2 96121492 CVBHCSFLOQIWNY-UHFFFAOYSA-N 390.487 3.653 0 40 GHAB COC(=O)c1ccc(Nc2nc(-c3ccc(OC)cc3)c(CC(=O)O)s2)cc1 5023181 CAEDKXCCNWOMSE-UHFFFAOYSA-N 398.440 3.976 0 40 GHAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(CCC(=O)O)cc1 5135088 FMVWRFXWXUIVEN-UHFFFAOYSA-N 398.278 3.576 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c1 5626078 WIEDAJCLXGQMTO-UHFFFAOYSA-N 397.500 3.642 0 40 GHAB COc1ccc(CNc2c(-c3ccc(OC)c(CO)c3)nc3cnccn23)cc1 12113863 MFDOGDXNBKJCRC-UHFFFAOYSA-N 390.443 3.518 0 40 GHAB Cc1ccc(CN(C)C(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C)c1 12284752 INTTURBYVKMSMI-NRFANRHFSA-N 393.531 3.613 0 40 GHAB Cc1ccc(C(=O)NCC(=O)N2CCC(CCc3ccccc3)CC2)cc1C 12777229 OKWMADYSQGMRMX-UHFFFAOYSA-N 378.516 3.905 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(F)cc2Br)c(C)c1 17960977 UMJUTXLQOKMFPU-UHFFFAOYSA-N 393.256 3.882 0 40 GHAB CSc1ccc([C@H]2[C@H]3C(=O)N(CC(C)C)C(=O)[C@H]3ON2c2ccccc2)cc1 18037449 LCXVJDNUTWFYDK-AABGKKOBSA-N 396.512 3.911 0 40 GHAB Cc1ccccc1OC[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)C1 19237320 BJUYTUBSXUYUMV-ZWKOTPCHSA-N 397.471 3.809 0 40 GHAB Cc1ncc(-c2ccncc2)c(CN(Cc2ccccc2)C(=O)[C@@H]2CCCO2)n1 19286993 RLMCBXVSJNUOKQ-QFIPXVFZSA-N 388.471 3.555 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1ccccc1F)N(Cc1cncn1C)CC2 19291835 UEJFGOIHHBRKJA-QFIPXVFZSA-N 381.451 3.724 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N[C@H]3CCOc4ccccc43)cc2N1 19520590 NIRYILBGSOTGFC-PVXIVEMSSA-N 394.397 3.834 0 40 GHAB CN1CCN(C(=O)C2CCC2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19589416 GBTGHQJRZZVLJS-QFIPXVFZSA-N 376.500 3.613 0 40 GHAB Cc1ccccc1OC1CCN(CC(=O)NCCc2c[nH]c3ccccc23)CC1 19656862 GSLSTLNABRZLOC-UHFFFAOYSA-N 391.515 3.678 0 40 GHAB CN(Cc1cccnc1)C[C@H]1CCCN(C(=O)c2ccccc2OC2CC2)C1 585083168 WJBTWARBSHDCMW-LJQANCHMSA-N 379.504 3.607 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)COc2ccc(F)cc2Br)c1C 6085286 ZLIMQPJPPJBMNU-UHFFFAOYSA-N 384.201 3.581 0 40 GHAB Cc1nc(C2CC2)nc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C 1888866710 QCBMDGVHQBSRCI-UHFFFAOYSA-N 377.414 3.711 0 40 GHAB O=C(C1CCN(c2ncccc2C(F)(F)F)CC1)N1CCC(F)(F)CC1 1889101112 NHOMKEABNMKVMO-UHFFFAOYSA-N 377.357 3.575 0 40 GHAB Cc1ccc(-c2nnc3ccc(SCC(=O)N4CCCCCC4)nn23)cc1 4164641 NEOQOZXUBBPSTK-UHFFFAOYSA-N 381.505 3.594 0 40 GHAB Cc1cccc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)c1 4164526 ARRIOBXLPIBKPQ-UHFFFAOYSA-N 393.447 3.970 0 40 GHAB CSc1cccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 5438462 DMBULHMMWGDKGM-UHFFFAOYSA-N 376.503 3.591 0 40 GHAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)n(-c2nc3ccccc3s2)n1 16851044 DZTZEEXEFXUZOF-UHFFFAOYSA-N 378.413 3.771 0 40 GHAB CSc1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)SCCC4)cc1 49403721 GULXYAFKMRKPJN-UHFFFAOYSA-N 397.525 3.544 0 40 GHAB CSc1ccccc1C(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575616429 JREQVASSDVIXMT-OAHLLOKOSA-N 379.485 3.596 0 40 GHAB Cc1cc(C)n([C@H](CNC(=O)c2cc3ccccc3oc2=O)c2cccs2)n1 575609324 AWZWNGWKGNVGDV-QGZVFWFLSA-N 393.468 3.687 0 40 GHAB COc1ccc2sc(N3CCC[C@H](C(=O)N4CCC(F)(F)CC4)C3)nc2c1 2298218163 VMUMFMCURBQEOQ-ZDUSSCGKSA-N 395.475 3.779 0 40 GHAB CC[C@](CNS(=O)(=O)c1ccccc1Br)(OC)c1ccccc1 96123781 PYEKORNCNVLNFO-QGZVFWFLSA-N 398.322 3.679 0 40 GHAB CCOc1cc2c(cc1OCC)CN(C(=O)Cc1sc(S)nc1C)CC2 40017226 IUCKBFHMNJKDPT-UHFFFAOYSA-N 392.546 3.665 0 40 GHAB Cc1sc(NC(=O)CCCN2C(=O)CCC2=O)nc1-c1ccc(Cl)cc1 40114803 QBQDFYLCGIVVDZ-UHFFFAOYSA-N 391.880 3.640 0 40 GHAB C[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(Br)s1 31076173 HBUGCYDIJQBVNN-QMMMGPOBSA-N 378.338 3.880 0 40 GHAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1cc(-c2cccc(Cl)c2)on1 31294195 YKJQIYNZJUFHDH-INIZCTEOSA-N 378.762 3.737 0 40 GHAB COc1ccc2oc(=O)c(C(=O)OCC(=O)c3cccc4ccccc34)cc2c1 644554 UWGBEXWPZAUBRE-UHFFFAOYSA-N 388.375 3.995 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1 648757 GDLUPGNVJJSTCE-UHFFFAOYSA-N 397.435 3.775 0 40 GHAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)N1CCOCC1 869935 VOCZGLRSMWBMAK-UHFFFAOYSA-N 399.903 3.901 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(C)n2Cc2ccccc2)cc1 899789 SJORCDKEFVVAQL-OAHLLOKOSA-N 394.500 3.957 0 40 GHAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(C)cc2)n1N 3516070 KULYUDPZAVCKNN-UHFFFAOYSA-N 382.489 3.861 0 40 GHAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c(c1=O)S[C@@H](C)C2 4265120 FONSSKZWUZMBQH-ZDUSSCGKSA-N 389.546 3.648 0 40 GHAB CC(=O)c1ccc(NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 32718866 QZIHDKHKDFTXAN-FQEVSTJZSA-N 394.471 3.826 0 40 GHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(F)cc2F)NC(=O)N1 6050406 VTMIKJQXIPDPTO-MRXNPFEDSA-N 377.778 3.885 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1O 6958695 FKJSGFUUUWBYQV-CXUHLZMHSA-N 386.835 3.846 0 40 GHAB COC(=O)c1c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)sc2c1CCC2 7813692 VOKDSONRJQFEKW-CYBMUJFWSA-N 377.849 3.619 0 40 GHAB COC(=O)c1cccc(NC(=O)CSc2cc(-c3ccccc3)ncn2)c1 12016644 SHBZGAAVMJFMDR-UHFFFAOYSA-N 379.441 3.661 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNc1nnc(Cc2ccccc2)c(O)n1 57355737 CDWOZKCLLIOZSD-UHFFFAOYSA-N 386.459 3.583 0 40 GHAB O=C(NCCCc1nc2ccccc2s1)c1cncn1-c1ccc(F)cc1 10271137 TYDSEXHIUYPPJT-UHFFFAOYSA-N 380.448 3.984 0 40 GHAB CCC(CC)[C@H](NC(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccc1 32937696 NNKXWYSXWPCKLE-QFIPXVFZSA-N 396.535 3.895 0 40 GHAB CCOc1c(CNn2c(-c3ccccc3OC)n[nH]c2=S)cccc1OC 8253481 XFBDXHCTOMGSHV-UHFFFAOYSA-N 386.477 3.767 0 40 GHAB Cc1c(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)oc2ccc(F)cc12 10968468 HQEVUPVLNKMSSI-LBPRGKRZSA-N 375.421 3.775 0 40 GHAB O=C(CCC(=O)N1CCc2ccccc2C1)Nc1nc2ccc(F)cc2s1 27913530 HWIBRWIKAIZNHA-UHFFFAOYSA-N 383.448 3.739 0 40 GHAB O=C(COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)N1CCCCC1 33327331 HFZLAOHRHSYTRP-UHFFFAOYSA-N 381.407 3.934 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 12321114 VSLNVCKKWYPHDV-HNNXBMFYSA-N 381.863 3.533 0 40 GHAB O=C(CN1CCN(Cc2csc3ccccc23)CC1)Nc1ccccc1F 22914138 IODLLZILOPAMES-UHFFFAOYSA-N 383.492 3.797 0 40 GHAB Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(N3CCOCC3)nc2)s1 22995244 PEQDLCGTGQWLPB-UHFFFAOYSA-N 380.473 3.602 0 40 GHAB O=C(NCCc1ccccc1C(F)(F)F)c1ccc2c(O)[nH]c(=S)nc2c1 54196879 OTDNTTGLESNFTM-UHFFFAOYSA-N 393.390 3.989 0 40 GHAB CCN(CC)CCNC(=O)C[C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 23207970 FHGXFPBVAOBTJU-AWEZNQCLSA-N 387.446 3.518 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)Oc2ccc(Oc3ccccn3)cc2)cc1 12545932 NSPLWRFGNBNJIR-UHFFFAOYSA-N 399.424 3.818 0 40 GHAB C[C@@H]1[C@@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)CCC[C@H]1C 108325009 ZJJRCYIMEZXIEK-WWGRRREGSA-N 381.314 3.510 0 40 GHAB CC[C@H](C)NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 22275304 HASFANKSBMWYLK-SFHVURJKSA-N 388.533 3.722 0 40 GHAB Cn1ccnc1[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 43272660 BTUZQSSMDDVLEN-INIZCTEOSA-N 377.416 3.618 0 40 GHAB CCN(CC)Cc1ccccc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 55869161 FQSUYCVKXDMKCA-KRWDZBQOSA-N 394.519 3.704 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cccc(SC)c2)c(-c2cccc(F)c2)n1 57508216 PBGDSIHSOKWCBJ-UHFFFAOYSA-N 397.475 3.972 0 40 GHAB C[C@H](C(=O)NCc1cccs1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57763727 FOLCFUSRZGEHAY-CQSZACIVSA-N 397.466 3.594 0 40 GHAB COC(=O)c1ccc(NC[C@H](c2ccccc2)N2CCc3sccc3C2)nn1 58015455 JRGYSOJZBWOGFL-GOSISDBHSA-N 394.500 3.536 0 40 GHAB CCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 58157232 IXPQRKPVNVOSQI-UHFFFAOYSA-N 392.478 3.846 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N(C)Cc2ccccc2F)c1 12795377 SGGXWWUELLPWLD-HXUWFJFHSA-N 386.467 3.638 0 40 GHAB O=C(C[C@H]1C=CCC1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 12740782 BSBTYOYRTBJAEE-FQEVSTJZSA-N 388.511 3.846 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 12748454 FEMRYYKVSRZCDH-OAHLLOKOSA-N 391.471 3.869 0 40 GHAB Cc1noc(C)c1C(=O)OCC(=O)NCCC(c1ccccc1)c1ccccc1 3416759 OJDOGKPYDPEKBS-UHFFFAOYSA-N 392.455 3.787 0 40 GHAB COc1cccc(NCc2nnc(SCC(=O)O)n2C2CCCCC2)c1 3445770 HDIZPDOTBVNUFV-UHFFFAOYSA-N 376.482 3.581 0 40 GHAB Cc1cc(C)c2cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)[nH]c2c1C 12918615 HXJPYDSYSBELQH-IBGZPJMESA-N 397.544 3.958 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)[C@H]1Cc2ccccc2S1)N1CCCC1 13009237 FPZQQLKLRGQRGH-WIYYLYMNSA-N 382.529 3.665 0 40 GHAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 20461017 NFFQFPXSLSJCIO-MRXNPFEDSA-N 396.896 3.532 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(F)c(Cl)c1 13015635 WCTAMDCGENHYLW-CYBMUJFWSA-N 387.846 3.691 0 40 GHAB COC(=O)[C@@H](NC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1)C(C)C 4085250 WPMBVKBEIVOHOL-IBGZPJMESA-N 394.427 3.779 0 40 GHAB biogenic Cc1coc2cc3oc(=O)c(CCC(=O)NCc4ccccn4)c(C)c3cc12 4000248 IDYLZBMYUOISRS-UHFFFAOYSA-N 376.412 3.800 0 40 GHAB biogenic C[C@H](C(=O)NCCc1cccc(Cl)c1)n1c(S)nnc1-c1cccs1 64334808 UZWJFWIEFSITFW-LLVKDONJSA-N 392.937 3.869 0 40 GHAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc3n2CCCCC3)c1C 6097503 HCDIRLNCJIUHTB-AWEZNQCLSA-N 376.526 3.605 0 40 GHAB COc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1 5016170 IIPZLQPLBGOUSF-UHFFFAOYSA-N 383.477 3.525 0 40 GHAB Cc1ccc2nc(CSc3nc(Cc4ccccc4)c(C)[nH]3)cc(=O)n2c1 4492427 KVJJETFZGAITFN-UHFFFAOYSA-N 376.485 3.918 0 40 GHAB O=C(O)c1ccccc1-c1ccc(/C=C/c2cc(C(F)(F)F)nc(=O)[nH]2)o1 5387554 VGIXFCSVXBCUBQ-AATRIKPKSA-N 376.290 3.917 0 40 GHAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cc2c(s1)CCCCCC2 25289679 YLTDSITYZKELNP-UHFFFAOYSA-N 385.533 3.569 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 5439244 VOFUFHOLMXUXPK-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB COCCn1ccc2c(NC(=O)Cn3ccc4cc(OC)ccc43)cccc21 70666560 NBZDSWBYLBUMFI-UHFFFAOYSA-N 377.444 3.890 0 40 GHAB biogenic CC1(C)Cc2cccc(OCC(=O)Nc3nc(-c4ccccn4)cs3)c2O1 14689077 WPGXBJVVIXJZGF-UHFFFAOYSA-N 381.457 3.936 0 40 GHAB CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H](c1ccc(F)cc1Cl)N2 306145420 DZBMIVJKCLSCEN-MRXNPFEDSA-N 384.879 3.910 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 28329023 LDKKTWJOGJKPJA-LLVKDONJSA-N 387.379 3.532 0 40 GHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cc(-c2ccccc2)[nH]n1 7117193 ZYRGREQKADWHNG-UHFFFAOYSA-N 383.835 3.821 0 40 GHAB COc1ccc(CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 15721639 WYJLEOAXKBBTSW-UHFFFAOYSA-N 386.249 3.778 0 40 GHAB O=C1CN(C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c2ccccc2N1 15717429 SMWCOCVHLLPDNY-OAQYLSRUSA-N 398.418 3.740 0 40 GHAB Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CCCCC2)o1 15860169 CWGNWOZSGDPXNH-GOSISDBHSA-N 376.884 3.964 0 40 GHAB O=C(Nc1cc(Br)c[nH]c1=O)c1ccc(COc2ccccc2)cc1 67937423 GSCUEKGWQBLMED-UHFFFAOYSA-N 399.244 3.969 0 40 GHAB Cc1c(NC(=O)COc2ccccc2-c2ccccc2)cccc1-n1cnnn1 15999913 RUEIUVLLSRTCPD-UHFFFAOYSA-N 385.427 3.655 0 40 GHAB CNC(=O)c1ccc(CN(C)C(=O)c2sc(-c3ccsc3)nc2C)cc1 7849067 CTLMOBYYCQVXIN-UHFFFAOYSA-N 385.514 3.812 0 40 GHAB COc1ccc2cc(CN(C)C(=O)CN3CCC[C@H]3c3cccn3C)ccc2c1 7855578 LBYKCXBTOLYWST-QHCPKHFHSA-N 391.515 3.982 0 40 GHAB O=C(NCCc1ccccc1F)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 7987560 MHBUQMGXGVRILC-AWEZNQCLSA-N 394.368 3.556 0 40 GHAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H]2CCCO2)cc1 9336880 RGHOGCGFGYJXED-FQEVSTJZSA-N 391.471 3.516 0 40 GHAB C[C@H]1c2[nH]c3ccccc3c2CCN1CC(=O)NCCc1c(F)cccc1F 84718149 HCCPEJMFBJOZQR-AWEZNQCLSA-N 383.442 3.724 0 40 GHAB CC1(C)[C@@H](OCc2ccccc2)C[C@H]1OC(=O)c1cccc(-n2cncn2)c1 95467938 STRBKUHSXHMELU-VQTJNVASSA-N 377.444 3.808 0 40 GHAB CC(C)n1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc2c1=O 79192046 OJEIXPHBOXDCNR-LAUBAEHRSA-N 381.520 3.577 0 40 GHAB biogenic Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 89690685 RLDUTFWFXZAZTK-HRAATJIYSA-N 390.886 3.976 0 40 GHAB CC[C@H](C)NC(=O)CSc1nc2cc(C)n(CC)c2c(=O)n1[C@H](C)CC 67299792 OBBNFSDMXJSXFG-QWHCGFSZSA-N 378.542 3.504 0 40 GHAB COc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)cc1 27570379 KRPQPXVNXMOWGZ-QGZVFWFLSA-N 398.768 3.850 0 40 GHAB COc1cccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1OC(C)C 409242270 QGQNWHXILHFCLU-LDADJPATSA-N 380.444 3.884 0 40 GHAB CCOc1cc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc(OCC)c1OCC 20143408 ZQQKHVXJQNYRAK-UHFFFAOYSA-N 389.404 3.539 0 40 GHAB O=C(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)N1CCCCC1 30755152 UEMUJDNLOJTGJM-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB O=C(O)c1sccc1CN1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 519705282 HZRPEGAWXKFBCW-AWEZNQCLSA-N 387.379 3.918 0 40 GHAB COC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(OC)c(OC)c2)c1 30952771 CNDTYVSOQGWKET-UHFFFAOYSA-N 398.459 3.733 0 40 GHAB COCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1 536263672 NVHASBCLVDEUQS-UHFFFAOYSA-N 391.855 3.533 0 40 GHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3nc4ccccc4n3C)c12 36615870 NPADTOZGIZXEOD-UHFFFAOYSA-N 386.415 3.676 0 40 GHAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cncc(-c3ccc(CO)cc3)n2)C1 72359346 LHXCQRAEUWRCHA-LJQANCHMSA-N 391.446 3.795 0 40 GHAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1)c1ccc(S(C)(=O)=O)cc1 219318631 VPBVRCPAZSXJBX-VQTJNVASSA-N 389.517 3.823 0 40 GHAB Cc1ccc(C)c(C(=O)OCC(=O)NCc2ccccc2Br)c1 72333726 INPFAFWVVBYPFN-UHFFFAOYSA-N 376.250 3.539 0 40 GHAB CC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCC1=CCCCC1 217453417 FHJMXOBTORQMJM-AWEZNQCLSA-N 380.510 3.764 0 40 GHAB CCc1cccc(C)c1NC(=O)CN1C(=O)C(c2ccc(OC)cc2)=NC1(C)C 71327824 LMHLOLLTOBCHDZ-UHFFFAOYSA-N 393.487 3.572 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc(Nc2ncccn2)cn1)Nc1ccccc1F 72353018 NYXSJTUVYNTPAN-LJQANCHMSA-N 392.438 3.530 0 40 GHAB COc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3ccccn3)C2)cc1 72362240 OKEHNCKPEQZSOD-MRXNPFEDSA-N 390.443 3.692 0 40 GHAB CSc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)cc1NC(C)=O 223682919 JLBCAXPQZYBSBU-UHFFFAOYSA-N 392.546 3.586 0 40 GHAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 223349121 WMXALRUOZKETKL-FGZHOGPDSA-N 394.515 3.708 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Cl)cc1 222489802 WQEOHCRFQVTYGF-ZDUSSCGKSA-N 395.286 3.536 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)NCCOc3cccc(C)c3C)cc2)n1 223971053 AZKLXICQRSHEAY-UHFFFAOYSA-N 377.488 3.974 0 40 GHAB COc1ccc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)cn1 224022376 BCTUJIYNHVKSOC-UHFFFAOYSA-N 391.924 3.778 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 225096656 QOVPFHFKWPIQBU-OAQYLSRUSA-N 382.504 3.571 0 40 GHAB CCOc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCCC2)ccc1O 199431324 VRQMRKUJSATIFJ-OAQYLSRUSA-N 394.515 3.730 0 40 GHAB O=C(NC1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1cccc(F)c1 98212897 PVLMUYRHIPDCGR-UHFFFAOYSA-N 382.414 3.754 0 40 GHAB CS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1ccc(-c2ccccc2)cc1 96519712 QEJSOYSWGAGFPY-GJZGRUSLSA-N 389.698 3.719 0 40 GHAB Cc1cc(N2CCCCC2)nc(CNC(=O)c2ccc(C(F)(F)F)cc2)n1 96120811 OMLQREOQWAFUIV-UHFFFAOYSA-N 378.398 3.724 0 40 GHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 523130983 ARMABDOYHZUBGT-CKFHNAJUSA-N 388.464 3.545 0 40 GHAB CC(=O)N1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C(=O)c1cnccn1 257250713 JNSRVMPYKFZPOT-FUDKSRODSA-N 392.503 3.614 0 40 GHAB CC1CCN([C@@H](CNC(=O)c2cnn(-c3ccccn3)c2C(C)C)C(C)C)CC1 41400776 SRAHXZFITJPDMG-FQEVSTJZSA-N 397.567 3.877 0 40 GHAB CO[C@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@]12CCCO2 257300659 RVFCIHDRPAJQOS-GMAHTHKFSA-N 396.487 3.687 0 40 GHAB COC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 257348814 JBYDGFJFASWXRX-ZLRFZNDOSA-N 392.536 3.865 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(F)cc2)[C@@H]1c1cccc(OC)c1 257242904 IEQYRIPBGYUKMV-IRLDBZIGSA-N 398.478 3.793 0 40 GHAB COC(=O)N1CCc2ccc(NC(=O)c3cc4cccc(OC)c4o3)cc2C1 96096270 ZYNXBCVBSDAKBI-UHFFFAOYSA-N 380.400 3.818 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)s1 96096670 WBRINQUJMDGSMS-UHFFFAOYSA-N 395.531 3.736 0 40 GHAB O=C(c1ccccc1S(=O)(=O)C(F)F)N(CCc1cccs1)C1CC1 96120302 HDLJVNWBVNRQKI-UHFFFAOYSA-N 385.457 3.592 0 40 GHAB CC(C)Sc1ccc(CC(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1 575414820 XBWHVOLOLRAMCX-UHFFFAOYSA-N 380.517 3.842 0 40 GHAB CC1(C)CN(C(=O)NCc2cnc(C(F)(F)F)nc2)CCc2ccccc21 665505376 RAPRZKNTBABGHI-UHFFFAOYSA-N 378.398 3.541 0 40 GHAB CCCn1ncc(CN2CCC(c3cc(O)nc(-c4ccccn4)n3)CC2)c1C 72392852 HQCQJKSIPIOYHF-UHFFFAOYSA-N 392.507 3.539 0 40 GHAB CC[C@](CO)(NCc1ccccc1I)c1ccccc1 78823090 JYFKAEJYRYTDMK-QGZVFWFLSA-N 381.257 3.679 0 40 GHAB COc1ccccc1[C@H]1[C@@H](C(=O)NC(C)C)SCC(=O)N1C1CCCCC1 952964761 OHCDKRKOHKXZND-PMACEKPBSA-N 390.549 3.538 0 40 GHAB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1ccc(F)c(F)c1 6066287 NPZHALNAAHJSHE-ZZXKWVIFSA-N 386.148 3.515 0 40 GHAB CC[C@@H](C)C(=O)N1CCC[C@@](Cc2cc(-c3ccccc3C)no2)(C(=O)O)C1 12241817 QZTHDKFBPAAOJM-QRQCRPRQSA-N 384.476 3.932 0 40 GHAB CC(=O)c1ccc(Cl)cc1CN1CC[C@@H](c2cc3nc(C)cc(O)n3n2)C1 12259118 BGAWASCYYODQBU-CQSZACIVSA-N 384.867 3.589 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3sc(-c4ccccn4)nc3C)CC2)c1 12533604 PWEZLJRTOBYQLK-UHFFFAOYSA-N 378.501 3.784 0 40 GHAB COc1ccc(Br)cc1CN(C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 12818992 LEDCYKNYWBNCCU-JKIFEVAISA-N 397.357 3.830 0 40 GHAB Cc1cc2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)cc(C(F)(F)F)n2n1 13226812 YCSIGDSNJXCNSS-CQSZACIVSA-N 380.414 3.953 0 40 GHAB CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1OC(=O)c1ccc2c(c1)OCO2 13611063 YRJDMSKYQUYOCP-UHFFFAOYSA-N 390.399 3.567 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13685328 ZYSNBNOAASCDPK-MRXNPFEDSA-N 392.455 3.622 0 40 GHAB Cc1cc(C)c2cc(C(=O)Nc3nnc(CCn4nc(C)cc4C)s3)[nH]c2c1 19663418 YTFQOCLEZYILTK-UHFFFAOYSA-N 394.504 3.945 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1F 19855792 ACSLBOAHRJPKDI-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB Cc1nc2cc(C(C)(C)C)nn2c(N2CCC[C@@](O)(c3cccnc3)CC2)c1C 19555681 JYZKHSWZJYBXDL-QHCPKHFHSA-N 393.535 3.917 0 40 GHAB CCOc1cc2c(cc1N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)O[C@@H](C)C2 11037811 ITBZCWQEWMUTLF-YEJXKQKISA-N 384.451 3.980 0 40 GHAB CC(C)N(CCNC(=O)c1nccnc1-c1nc2ccccc2s1)C(C)C 23175367 NRBLPEJGBLQOEV-UHFFFAOYSA-N 383.521 3.602 0 40 GHAB COc1ccc(CN(Cc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)cc1 27648939 ZRFKCHTVFPNRQQ-SFHVURJKSA-N 379.909 3.538 0 40 GHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)C1CCN(c2ccc(Cl)cn2)CC1 31746632 JAEMHTCLLWKLBG-UHFFFAOYSA-N 395.793 3.912 0 40 GHAB Cc1cc(N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)nc(C2CC2)n1 1776008392 FUSNWXFMRIYTFY-UHFFFAOYSA-N 379.386 3.519 0 40 GHAB CCn1nc(C(C)C)cc1C(=O)N1CCC[C@](O)(COc2ccc(C)c(C)c2)C1 2037912998 KAEHNXSBDWTFKT-HSZRJFAPSA-N 399.535 3.689 0 40 GHAB Cc1ccc(CN2CCCC[C@@H]2C2CCN(S(=O)(=O)C(C)C)CC2)cc1 2056226475 SASXZQLMDOGHBG-OAQYLSRUSA-N 378.582 3.800 0 40 GHAB CCOc1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1OCC 720308 ARRPMFYEKBZOMJ-UHFFFAOYSA-N 382.416 3.510 0 40 GHAB CCC(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@H]1c1ccc(C)cc1 4036274 FHOFKOVWCIEFRX-FQEVSTJZSA-N 399.516 3.844 0 40 GHAB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)c1ccc(Cl)cc1 4166729 BPQKWUBBSYXQRW-UHFFFAOYSA-N 399.838 3.978 0 40 GHAB CCOc1ccc(C(=O)N(c2cc(C)cc(C)c2)[C@H]2C=CS(=O)(=O)C2)cc1 5082846 SRQVMVFMSHZAQU-SFHVURJKSA-N 385.485 3.660 0 40 GHAB O=C(Nc1ccc(F)c(F)c1F)c1cccn(Cc2ccccc2F)c1=O 5270492 QKDMCKMCXJTALW-UHFFFAOYSA-N 376.309 3.705 0 40 GHAB Cc1csc(C(=O)Nc2nnc(SCC(=O)N3CCC(C)CC3)s2)c1 42379258 VEZFSXOYEZSOIC-UHFFFAOYSA-N 396.563 3.511 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Nc2ccc(C)nn2)cc1 35597976 LSBMTHFBQHNABC-UHFFFAOYSA-N 384.461 3.646 0 40 GHAB CCCCc1ccc2nc(NC(=O)c3cccnc3-n3cncn3)sc2c1 24969048 YNEPJBOXIJWKFB-UHFFFAOYSA-N 378.461 3.867 0 40 GHAB C[C@H]1ON=C(c2ccccc2Cl)[C@@H]1C(=O)NCCOc1ccc(Cl)cc1 104529446 YUXYPQVRJXOKMX-SJKOYZFVSA-N 393.270 3.928 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OCO3)c(Br)c1 40140143 OOLSITFQRVXSGH-NSHDSACASA-N 379.206 3.859 0 40 GHAB CC(C)C[C@@H](CNC(=O)Nc1ccccc1SC(F)F)N1CCOCC1 40103925 LKXHTVMYBBXEPK-AWEZNQCLSA-N 387.496 3.870 0 40 GHAB O=C(NCc1ccccc1)C1CCN(C(=O)c2csc3c2CCCC3)CC1 30909990 CYFFOAFXHYYSPG-UHFFFAOYSA-N 382.529 3.796 0 40 GHAB O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cc(=O)c2ccccc2o1 50474702 OPKHTDKGQHBVFA-UHFFFAOYSA-N 376.412 3.558 0 40 GHAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)NCc1ccccc1 779217 DSVBWFIMPWEUJB-UHFFFAOYSA-N 396.516 3.594 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(Cl)c3c(c2)OCO3)c1C 7822497 JHBHDRMUUJCBNQ-NSHDSACASA-N 391.807 3.644 0 40 GHAB CCOc1cc(/C=C/c2nc3ccccc3c(=O)n2CCCC(=O)O)ccc1O 46102268 GRCCLPPNZSRUPS-ZRDIBKRKSA-N 394.427 3.536 0 40 GHAB Cc1sc2ncn3c(SCC(=O)Nc4ccc(F)cc4)nnc3c2c1C 925331 CJPZSPCSMGLJGN-UHFFFAOYSA-N 387.465 3.826 0 40 GHAB CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)O 2103488 MANXQZCGQHSQKH-KRWDZBQOSA-N 399.443 3.767 0 40 GHAB biogenic Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 32678961 CXVLEHBNYWEAEY-AWEZNQCLSA-N 377.444 3.751 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)c1cc2c(s1)CC[C@@H](C)C2 6547159 AEFNBSXPXOAKRO-GFCCVEGCSA-N 375.490 3.829 0 40 GHAB CCCCNC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1 6553202 UKKMCXUZLJREPD-UHFFFAOYSA-N 380.897 3.812 0 40 GHAB Cc1ccc(-c2csc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)cc1 7137909 DMYIGWMAYZEDFL-UHFFFAOYSA-N 376.441 3.536 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-c3ccc(F)cc3)o2)c1C 21499895 QPAFPMDFBLSKDL-UHFFFAOYSA-N 399.374 3.857 0 40 GHAB O=C(COc1cccc(Br)c1)NCCCCOc1ccccc1 32836093 JOZJNOPYNQVRBK-UHFFFAOYSA-N 378.266 3.803 0 40 GHAB Cc1ccccc1NC(=O)COc1ccc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc1 8571345 OJVVVTZALAVXNG-IAGOWNOFSA-N 398.528 3.797 0 40 GHAB CC(C)CNC(=O)CSc1nnc(COc2ccc(C(C)(C)C)cc2)o1 32940018 SCSWDUJFIHLMOS-UHFFFAOYSA-N 377.510 3.810 0 40 GHAB O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102634194 RJOHIGKKFMIAKP-WXPXUSHHSA-N 394.402 3.539 0 40 GHAB CC(=O)c1cccc(O[C@H](C)C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 68731693 VXRZELAOZRSTGB-APWZRJJASA-N 387.501 3.926 0 40 GHAB O=C1CSc2ccc(C(=O)OCc3ccc(Br)cc3)cc2N1 9075134 XELSDJWYRLRKQS-UHFFFAOYSA-N 378.247 3.850 0 40 GHAB CCOC(=O)COc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1 50547976 OWOVIVRATSURTF-BOPFTXTBSA-N 398.440 3.723 0 40 GHAB COc1cccc([C@@H]2CC(=O)Nc3nc(N)sc32)c1OCc1ccc(F)cc1 12371670 ZUFYVGRWHCABPH-AWEZNQCLSA-N 399.447 3.926 0 40 GHAB Cc1cc2nc3c(c(O)n2n1)C[C@@H]1CC[C@H](C3)N1Cc1ccc(Cl)c(F)c1 100731768 ALFNEIFVVKTJIC-UONOGXRCSA-N 386.858 3.668 0 40 GHAB Cc1ccnn1-c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 8039884 JFPPFOLNMCQENC-UHFFFAOYSA-N 388.471 3.672 0 40 GHAB COc1ccc(OC)c(/C=C2/SC(=O)N(CNc3ccc(F)cc3)C2=O)c1 59457339 JJFQPHMASMJSBM-LICLKQGHSA-N 388.420 3.949 0 40 GHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 950606 ITXDLOBINUWNPQ-GOSISDBHSA-N 380.835 3.921 0 40 GHAB CCCNC(=O)C1CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 42687088 YUMFTYQJEIZTSR-LBPRGKRZSA-N 386.323 3.559 0 40 GHAB COC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 107078793 DACVRVGZWGQNPZ-MDYRTPRTSA-N 386.517 3.692 0 40 GHAB COc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccc(OC)cc2OC)C3)cc1 100766746 IEALMRCOFOJSRK-PMACEKPBSA-N 397.515 3.832 0 40 GHAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)cs1 12593788 KKUICHGFWXJYQN-GFCCVEGCSA-N 380.473 3.657 0 40 GHAB O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)Nc1nccs1 21524648 VEIUJDBAHHFVDQ-UHFFFAOYSA-N 378.413 3.878 0 40 GHAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(Cl)c(Cl)c1 24865070 MSSFQTADFDONLE-SFHVURJKSA-N 379.287 3.797 0 40 GHAB CCSc1nnc(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)s1 8690660 ZGIHZAVRVCNZBL-GFCCVEGCSA-N 398.941 3.697 0 40 GHAB CCN(CC)Cc1ccccc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 55869162 FQSUYCVKXDMKCA-QGZVFWFLSA-N 394.519 3.704 0 40 GHAB CS[C@@H]1CC[C@@H](N(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 107064542 FSDANPVQGVNPJO-CHWSQXEVSA-N 382.378 3.983 0 40 GHAB COc1cc(F)c(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C)cc1OC 107163908 KUDHJFCZNLKALG-UHFFFAOYSA-N 391.349 3.868 0 40 GHAB COc1ccc(C2(CNC(=O)c3cc4ccccc4n3C)CCOCC2)cc1 56452763 HAWIXNAWYYVZCK-UHFFFAOYSA-N 378.472 3.665 0 40 GHAB biogenic COc1ccc2nc(C)c(C(=O)Nc3cc4c(cc3C(C)=O)OCO4)cc2c1 25802516 KRGKOWWHYMSTRY-UHFFFAOYSA-N 378.384 3.735 0 40 GHAB Cc1noc(C)c1CC(=O)Nc1ccnn1Cc1cc(Br)cs1 24595684 SOFBDZQVBXTGDM-UHFFFAOYSA-N 395.282 3.541 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)N2c3ccccc3C[C@@H]2C)cc1OC 109018389 WUCVHEGVLFYVGJ-LPHOPBHVSA-N 380.488 3.819 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2cc(Cl)ccc2C)cc1 2064843 WRJKQVBBDIZUSJ-UHFFFAOYSA-N 394.924 3.677 0 40 GHAB COc1ccc([C@@H](NCC(=O)NC(=O)NC2CCCCC2)c2ccccc2)cc1 58169433 CVQYWXGLZYQXHN-QFIPXVFZSA-N 395.503 3.533 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)c1ccoc1 58225605 AHPBAOQAWQJCKS-UHFFFAOYSA-N 378.356 3.611 0 40 GHAB CCc1sc(C(=O)N[C@@H](CC(=O)OC)c2ccc(OC)c(OC)c2)cc1C 58349666 VDVZNFIWRSBSAI-AWEZNQCLSA-N 391.489 3.670 0 40 GHAB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1ccc(F)c(F)c1 58366303 WKCZHZYNKDPMRU-UHFFFAOYSA-N 385.370 3.687 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCc2ccc(Br)s2)c1C 10500594 VKACZFJWUIYAGA-UHFFFAOYSA-N 399.310 3.605 0 40 GHAB COc1ccc(C)cc1C1=C[C@@](C)(c2cc(C)ccc2OC)Nc2nnnn21 8131782 XXDUJLHBFCNNFX-NRFANRHFSA-N 377.448 3.537 0 40 GHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)cc1 408619795 HMBSUFFKWMGIAC-RUDMXATFSA-N 390.848 3.573 0 40 GHAB COc1cc(Br)c(OC)c(C(=O)Nc2cccc(NC(C)=O)c2)c1 12770175 MEQGEONQDYQKPX-UHFFFAOYSA-N 393.237 3.677 0 40 GHAB COC(=O)[C@H](CCSC)NC(=O)c1ccc2ccn(Cc3ccccc3)c2c1 36370036 IBGQXFHOMCAGLA-IBGZPJMESA-N 396.512 3.714 0 40 GHAB biogenic O=C(NCc1ccc2c(c1)OCO2)c1csc(COc2ccc(F)cc2)n1 12791343 HBJZNFQMYJQMMC-UHFFFAOYSA-N 386.404 3.520 0 40 GHAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1nc(-c2ccccc2)cs1 12798180 DUWMUGWPOMMBRX-UHFFFAOYSA-N 387.411 3.847 0 40 GHAB CC(C)NC(=O)c1cccc2c1CCCN2C(=O)/C=C/c1ccc2c(c1)CCO2 11116758 CWUQTOWKDXIFBR-PKNBQFBNSA-N 390.483 3.752 0 40 GHAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2C3CC4CC(C3)CC2C4)c1C 12751330 LCLIGEHJWHUSNA-UHFFFAOYSA-N 390.549 3.565 0 40 GHAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccn2)C12CCCC2 71283629 GRKNVSRBOFMBEF-NRFANRHFSA-N 391.515 3.906 0 40 GHAB CC(C)c1ccc(OCCNC(=O)c2cccc(CN3CCCC3=O)c2)cc1 48374849 JIZYMZCORBIVER-UHFFFAOYSA-N 380.488 3.741 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)CCc1ncc(-c2ccccc2F)o1 12844588 TVYGSSHZKGTXOL-UHFFFAOYSA-N 395.434 3.785 0 40 GHAB CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1OCC 12817353 KCTPPYRFFDDOBD-UHFFFAOYSA-N 391.489 3.595 0 40 GHAB Cc1ccc(-n2nnnc2SCc2cc(=O)oc3cc(C)ccc23)c(C)c1 3435827 BMSCPPKLUYDPEG-UHFFFAOYSA-N 378.457 3.986 0 40 GHAB CC(C)[C@H](NCC(=O)Nc1ccnn1C1CCCC1)c1ccc2c(c1)OCCO2 12995948 GUJGQDOOPWGBLT-QFIPXVFZSA-N 398.507 3.695 0 40 GHAB C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(F)cc1 12999069 DYEGLMJERDDTPK-CRVDFBCUSA-N 380.463 3.955 0 40 GHAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 12949269 KYHJBOCSUGEZHG-UHFFFAOYSA-N 394.496 3.698 0 40 GHAB COc1cccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 13075548 IBBXXFJUHAUQPR-UHFFFAOYSA-N 399.800 3.725 0 40 GHAB Cc1ccc(-c2nc(CN3C(=O)C(=O)N(Cc4cccs4)C3=O)cs2)cc1 8328944 ISGMCDJYQLTIJX-UHFFFAOYSA-N 397.481 3.671 0 40 GHAB CCOc1ccc([C@@H](C)NC(=S)NCCCCCC(=O)OC)cc1OCC 6085529 QYQILKJFHJECRT-OAHLLOKOSA-N 396.553 3.743 0 40 GHAB CCOC(=O)C1=C(NC(=O)c2ccc(CC)cc2)Nc2ccccc2N=C1C 6026816 MBOLUZHGSSAXMS-UHFFFAOYSA-N 377.444 3.972 0 40 GHAB COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)c1 5029408 VKJJASKRCJPGTG-MRXNPFEDSA-N 380.322 3.726 0 40 GHAB COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccccc3C)oc12 13893588 FGXUCLODTIDFDG-NPPSCJOGSA-N 392.455 3.891 0 40 GHAB COC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 6413140 SNVUNXDPLHTWLJ-UHFFFAOYSA-N 379.807 3.999 0 40 GHAB CNc1nnc(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)s1 8767557 OHVKTZZUJFUNAZ-SNVBAGLBSA-N 383.568 3.883 0 40 GHAB COc1ccccc1OCC(=O)N(Cc1nc(-c2ccc(C)cc2)no1)C(C)C 4517013 JKPZWYFRDCROKM-UHFFFAOYSA-N 395.459 3.870 0 40 GHAB C[C@H]1C(=O)N(CN2CCc3sccc3C2)C(=O)N1c1ccc(Cl)cc1 14309993 YDFDDRMUAPZYFY-LBPRGKRZSA-N 375.881 3.574 0 40 GHAB C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(Cl)cc1Cl 5512507 XKFABGQFQLYROU-SNVBAGLBSA-N 376.243 3.731 0 40 GHAB CCn1nnc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)C)ccc21 14604235 YGCAIPSJDHTHML-UHFFFAOYSA-N 377.370 3.788 0 40 GHAB COc1ccc(-c2cc3c(=O)n(Cc4cc(F)cc(F)c4)ccn3n2)cc1OC 67260815 UGAWNTNMBYILEY-UHFFFAOYSA-N 397.381 3.507 0 40 GHAB CCCCOc1ccc(-c2cc3c(N4CCC(C(=O)O)CC4)nccn3n2)cc1 67225250 IMKIKGRMVJVVDL-UHFFFAOYSA-N 394.475 3.876 0 40 GHAB COc1ccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)c(OC)c1 408804058 VJOHBGWHJPGPEJ-UHFFFAOYSA-N 385.465 3.784 0 40 GHAB NC(=O)N1CCC[C@@H](Nc2nc(-c3cccc(Cl)c3)nc3c2CCCC3)C1 96011322 FCJLYRIOKCVGOJ-OAHLLOKOSA-N 385.899 3.631 0 40 GHAB O=C(CCCn1ccnc1)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 96001303 SEUOICKPDCROEV-SFHVURJKSA-N 379.464 3.857 0 40 GHAB O=C(NCc1ccc2ccccc2c1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 89828182 BBTVZILGZAOOCW-HSZRJFAPSA-N 386.495 3.937 0 40 GHAB CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2F)c1 84721193 KQXMRVBEFIKTDL-HXUWFJFHSA-N 390.459 3.891 0 40 GHAB OCC1CCN(Cc2ccccc2NCc2noc(-c3ccsc3)n2)CC1 79054909 UEXUTTAZDGHIRA-UHFFFAOYSA-N 384.505 3.615 0 40 GHAB COc1cc(Br)c(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1OC 95997184 QTVSEPITZHHBAR-HIFRSBDPSA-N 386.330 3.695 0 40 GHAB COc1ccc(CCNC(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1 89442314 KWAIVHFJFWKZHR-UHFFFAOYSA-N 389.499 3.625 0 40 GHAB CCn1nccc1CN(C)C(=O)c1ccc(COc2ccc(F)cc2F)o1 28236377 IZMBHVBCXOGPMC-UHFFFAOYSA-N 375.375 3.625 0 40 GHAB Cc1nn(CC(F)(F)F)c(C)c1Cc1nc([C@H]2CCOc3ccccc32)no1 544734486 YGYOBVRTURKAGM-AWEZNQCLSA-N 392.381 3.950 0 40 GHAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl 32610350 WOUODCRKTKJBMK-STQMWFEESA-N 394.258 3.844 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1N1CCCCC1 35314323 GQTPLKDIZMSVQE-UHFFFAOYSA-N 394.500 3.644 0 40 GHAB NC(=O)c1ccccc1CCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 525912313 AMNCACGJUAESNJ-INIZCTEOSA-N 393.512 3.734 0 40 GHAB CC(C)(C)n1ncc2c1N=C(O)C[C@]21C(=O)Nc2ccc(Br)cc21 32095163 UITFOLATHDXUFR-QGZVFWFLSA-N 389.253 3.631 0 40 GHAB CN(Cc1ccccc1NC(=O)N[C@]12C[C@@H]1COC2(C)C)C(=O)c1cccs1 528987395 BZKIDAUNZFKHBD-QVKFZJNVSA-N 399.516 3.709 0 40 GHAB CCN(CC)C(=O)Oc1cccc(I)c1Br 38331844 QXDIYRDPOZHKJX-UHFFFAOYSA-N 398.038 3.894 0 40 GHAB Nc1ncc(-c2ccccc2F)c([C@@H]2CCCCN2C(=O)c2cccnc2)n1 72376943 UFYKBQPPGRMDOX-SFHVURJKSA-N 377.423 3.627 0 40 GHAB CCc1cccc(CC)c1NC(=O)Cn1c(=O)c2ccccc2n2nc(C)cc12 32836376 HHCKFBBDXSKJLE-UHFFFAOYSA-N 388.471 3.721 0 40 GHAB COc1ccccc1Cc1cccc([C@@H]2CCCN(Cc3nccn3C)C2)n1 72350017 DTOCLRJXXVTBGA-LJQANCHMSA-N 376.504 3.794 0 40 GHAB COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)Nc1ccccc1F 35685256 OXSRPKXDDKWRGR-MRXNPFEDSA-N 380.379 3.869 0 40 GHAB O=C(c1cc(Br)ccc1O)N1CCC(Nc2ccccc2)CC1 48292159 JDBFQNZHOQZWOX-UHFFFAOYSA-N 375.266 3.871 0 40 GHAB O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc(CN2CCCC2)cc1 44857355 ZWASGGLZDREXRQ-UHFFFAOYSA-N 399.494 3.712 0 40 GHAB Cc1ccc(CS(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 223626400 BTHCAWWOZFVSDA-UHFFFAOYSA-N 385.489 3.788 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2C[C@H](C)C[C@@H](C)C2)cc(C(F)(F)F)n1 225893091 RDUKHRSCAPIJJH-VXGBXAGGSA-N 389.491 3.920 0 40 GHAB COc1ccc(CC(=O)NCCc2ccc(F)c(Br)c2)c(OC)c1 48368301 PVXALHPWIHFKJD-UHFFFAOYSA-N 396.256 3.507 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 223061236 IFMWLAGWHZCECP-FQEVSTJZSA-N 384.545 3.782 0 40 GHAB CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(F)(F)F 42646295 RJLDVQOGJKXIHH-UHFFFAOYSA-N 380.366 3.748 0 40 GHAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1C 223560722 CYYLXGTXKGRPOW-HXUWFJFHSA-N 380.532 3.914 0 40 GHAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1 223414005 ILSVWEWDMLMGKI-UHFFFAOYSA-N 396.531 3.625 0 40 GHAB CC[C@H](C(=O)Nc1cccc(Cl)c1C)N(c1ccccc1F)S(C)(=O)=O 220591017 KZZIVHSURBCWNV-MRXNPFEDSA-N 398.887 3.971 0 40 GHAB COCCOc1ncc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C 225864856 FLLMVRWYGFYWOL-UHFFFAOYSA-N 384.476 3.874 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)c1csc2ccccc12 225696513 VAXZSXQVGGWMIR-AWEZNQCLSA-N 397.905 3.575 0 40 GHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 222867349 NOWNNDMLGDNUTC-WOJBJXKFSA-N 377.517 3.958 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 225470335 PGTGCJQJFHFPTH-GOSISDBHSA-N 382.504 3.570 0 40 GHAB CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224896821 STOCBIQZTNIAGC-UHFFFAOYSA-N 382.869 3.522 0 40 GHAB CCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1OCCC 95945914 OXDKTBHPZPBWJY-UHFFFAOYSA-N 393.461 3.763 0 40 GHAB Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CCN(C(=O)c2ccccc2)C1 96244661 ZHXXJRWRVQUETD-DEOSSOPVSA-N 385.467 3.766 0 40 GHAB Cc1ccc(NC(=O)N2CCc3c(CN4CCCC4)nn(C(C)C)c3C2)cc1 96255946 PQIFWLNKMUIRMF-UHFFFAOYSA-N 381.524 3.958 0 40 GHAB Cc1ccc(NC(=O)Nc2c(C)nc(N3CCOCC3)nc2C)cc1Cl 96098654 DNLKEEBJUKFGRO-UHFFFAOYSA-N 375.860 3.536 0 40 GHAB COc1ccccc1CC(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2 257231823 GIHZQPVHLYBYKT-OAQYLSRUSA-N 394.515 3.524 0 40 GHAB COc1ccccc1N1CCC(N(CC(=O)O)Cc2cccc(Cl)c2)CC1 257301062 RWVNDWNMTONUPW-UHFFFAOYSA-N 388.895 3.904 0 40 GHAB O=C(N=c1cc([C@@H]2CCCO2)[nH][nH]1)C1(c2cccc(OC(F)(F)F)c2)CCC1 616823279 KRMONQVWNGATLP-HNNXBMFYSA-N 395.381 3.642 0 40 GHAB O=C(NCC[C@@H]1CC1(F)F)Nc1ccnn1Cc1cccc(Br)c1 621456584 NORQBESMKYYESJ-GFCCVEGCSA-N 399.239 3.861 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1c(C(F)(F)F)n[nH]c1C)c1cccc(OC)c1 673733155 QBDYSGDCQBMHAH-HNNXBMFYSA-N 398.429 3.558 0 40 GHAB COc1cccc(C2(NC(=O)Nc3cn(Cc4ccccc4)nn3)CCC2)c1 585101479 XDZWYRYZSAZFJC-UHFFFAOYSA-N 377.448 3.536 0 40 GHAB CCOc1ccc(Cl)c(C(=O)NC2(c3noc(C)n3)CCCCCC2)n1 56135686 XQIJIPLIBPQQPU-UHFFFAOYSA-N 378.860 3.805 0 40 GHAB Cc1cc(C)c(S(=O)(=O)NCC2(c3ccsc3)CCOCC2)cc1C 952989758 LENGTLKVYQPAPN-UHFFFAOYSA-N 379.547 3.700 0 40 GHAB COCc1ccc(C(=O)OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 5085128 RVLSNHKDEFRTPE-KZZKVKKMSA-N 385.504 3.711 0 40 GHAB Cc1nc(S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)n(CC(C)C)c1C 5262890 NVFDOZZJHATSEO-HNNXBMFYSA-N 380.558 3.795 0 40 GHAB COc1ccc(C(=O)NC2CCN(C(=S)Nc3ccccc3C)CC2)cc1 13544430 DDNBJHTXVCMALB-UHFFFAOYSA-N 383.517 3.595 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccc3F)c2)cc1 15976821 HJRPKBADWNDPDD-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(-c3ccc(C)s3)o2)cc1 19211465 BCQVZAYBRJDJFD-HNNXBMFYSA-N 389.502 3.941 0 40 GHAB CCn1ncc(-c2csc(NC(=O)c3cccc(Cn4cccn4)c3)n2)c1C 19524080 QHKFXNWPDWJNTE-UHFFFAOYSA-N 392.488 3.832 0 40 GHAB Cc1nn(C)cc1C(=O)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 19690491 UEAFIVUUGBVSDZ-UHFFFAOYSA-N 392.478 3.873 0 40 GHAB CNc1cc(CN(C)Cc2cccc3ncccc23)nc([C@@H]2CCCCN2)n1 19709941 KFNKINDUYUYQBE-FQEVSTJZSA-N 376.508 3.513 0 40 GHAB COC(=O)c1ccc(/C=C2\S/C(=N\c3cc(C)ccc3OC)NC2=O)cc1 6189447 YMPKUHLUDXUTDB-BOPFTXTBSA-N 382.441 3.682 0 40 GHAB COc1ccc2c(c1)[C@H](C(=O)Nc1cc(Cl)ccc1-n1cncn1)CCC2 653504834 LIFZFZMYYLPFKG-MRXNPFEDSA-N 382.851 3.988 0 40 GHAB CC(=O)N1CCc2nc([C@@H]3CCCN(C/C(C)=C/c4ccccc4)C3)ncc2C1 19014407 GMVVEXYMNRQTRN-DILWRCETSA-N 390.531 3.664 0 40 GHAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCOc2ccccc21 28666123 HEVAPGCLEPJBDH-DYVFJYSZSA-N 388.876 3.783 0 40 GHAB CCc1ccc2c(CN[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc2c1 32797391 IBPWGRTUFOFTRE-CQSZACIVSA-N 385.485 3.610 0 40 GHAB Cc1cccc(CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1 4148130 NLEOSCWFIDOJBI-UHFFFAOYSA-N 382.514 3.841 0 40 GHAB Cc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1C 4939886 USKYANPXYKUZGY-UHFFFAOYSA-N 388.471 3.849 0 40 GHAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2cccc(Cl)c2)CC1 2055750698 QVXDSZPHMNKJHF-UHFFFAOYSA-N 387.911 3.541 0 40 GHAB Cc1csc(C(=O)N2CCc3sc(CNC(=O)N4CCCC4)cc3C2)c1 2055772209 IBXQWTFHUBJFKQ-UHFFFAOYSA-N 389.546 3.622 0 40 GHAB COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(O)cc2)ccc1O 4844259 QOXYZRJKRZKEAL-NTUHNPAUSA-N 386.407 3.976 0 40 GHAB COc1ccc(C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cn2)cc1 1358645 CMPSJHFTXRUSOZ-UHFFFAOYSA-N 375.428 3.914 0 40 GHAB CCC(=O)Nc1ccc(NC(=O)CSc2nnc(C(C)C)n2CC)cc1 1364189 YLVNMBPITZDYFC-UHFFFAOYSA-N 375.498 3.501 0 40 GHAB C[C@H](CNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCc2ccccc2C1 29732044 GCPICPLBEMZIJD-OLMNPRSZSA-N 383.458 3.854 0 40 GHAB Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc2ccccc2c1=O 32617243 WEXFNWMQAWDMER-UHFFFAOYSA-N 394.283 3.971 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 4965340 ILNPPEBYSRMAMG-CHBCJXNCSA-N 388.460 3.976 0 40 GHAB COc1cc(C(=O)N[C@@H](C)c2nc(-c3ccc(C)cc3)no2)cc(OC)c1OC 4998294 CIBDAFODOCUHBD-ZDUSSCGKSA-N 397.431 3.562 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)COC(=O)CCOc2ccccc2C)cc1 7160432 IRICEVWOPBTADK-UHFFFAOYSA-N 383.444 3.929 0 40 GHAB Cc1c([C@H](C)OC(=O)CCN2C(=O)NC3(CCCC3)C2=O)oc2ccccc12 60788331 DGWAMRHLMBFSMU-AWEZNQCLSA-N 384.432 3.600 0 40 GHAB CCOC(=O)c1ccoc1COC(=O)c1sc2nc(CC)nc(C)c2c1C 32903525 MBQFFMNKVYCUOU-UHFFFAOYSA-N 388.445 3.997 0 40 GHAB Cc1ccc(OCC(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)cc1C 8319574 WBSZCHFMNXFVEM-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(OC)cc1 8518152 BOUDMMVKJAYQAZ-GFCCVEGCSA-N 390.324 3.949 0 40 GHAB O=C(NCc1ccco1)C1CCN(c2ncnc3c2oc2ccccc23)CC1 33169561 ORSJTJLCIOABQS-UHFFFAOYSA-N 376.416 3.502 0 40 GHAB O=S(=O)(NCc1cccnc1OC1CCCC1)C1=Cc2ccccc2CC1 46722629 LEHFYPOHLIBBLR-UHFFFAOYSA-N 384.501 3.810 0 40 GHAB Cc1ccc(C(=O)NCC(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1 12396928 NMWTXYKBLJDJSU-UHFFFAOYSA-N 399.541 3.577 0 40 GHAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12326651 NBUPWUNXDZAFKX-ICSRJNTNSA-N 391.515 3.705 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C)nc2)c(Br)c1 23519310 IYVNEPQKYOETLZ-GFCCVEGCSA-N 377.238 3.645 0 40 GHAB O=C(Cc1csc(-c2ccccc2)n1)N1CCN(Cc2cccs2)CC1 23735237 YKLZASUFUGVTPL-UHFFFAOYSA-N 383.542 3.759 0 40 GHAB CC(C)c1cc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccco2)on1 23867994 KHZOQZMYYKYFPW-UHFFFAOYSA-N 387.465 3.639 0 40 GHAB O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 3125480 LITVGCDWJPWTDU-UHFFFAOYSA-N 391.798 3.912 0 40 GHAB CCc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)cc(Cl)c2OC)cc1 20151597 FMKNBMUQUJBNGI-UHFFFAOYSA-N 392.864 3.736 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)c1 55524797 JQLQZTLHMYTOTF-INIZCTEOSA-N 377.893 3.591 0 40 GHAB CSc1ncc(C(=O)NCc2nc3ccccc3n2C)n1-c1ccc(F)cc1 12507185 IANPZFOEVHBCEX-UHFFFAOYSA-N 395.463 3.550 0 40 GHAB CCc1ccc(-c2noc(CN3CCN(c4ccccc4OC)CC3)n2)cc1 57797876 GZUZLBNGFLAIHJ-UHFFFAOYSA-N 378.476 3.630 0 40 GHAB O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc2ccccc2o1 57113488 CAWFRCMJYFIMLP-UHFFFAOYSA-N 377.488 3.765 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1c(F)cccc1Cl 57442777 SRJQEWMPEKONMM-ZDUSSCGKSA-N 389.858 3.675 0 40 GHAB Cc1c(C(=O)O)sc2ncn(CCCOc3ccc(Cl)cc3)c(=O)c12 19620880 YARAIKZQKBAFIA-UHFFFAOYSA-N 378.837 3.587 0 40 GHAB Cc1ccsc1C(=O)N1CCN([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 57993118 JWXMKDXWTUYUGZ-INIZCTEOSA-N 396.516 3.549 0 40 GHAB CCC1(CC)NC(=O)N(CC(=O)Nc2cccc(Oc3ccccc3)c2)C1=O 3244424 ASYRGVMRYBZFHF-UHFFFAOYSA-N 381.432 3.528 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 22329460 BVPHISCOETVKRL-SFHVURJKSA-N 388.533 3.564 0 40 GHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 36661707 ZGVRWUHHWGRRTH-OAHLLOKOSA-N 386.879 3.660 0 40 GHAB C[C@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 3371099 JPKRVODXZOTNLL-JTQLQIEISA-N 396.226 3.584 0 40 GHAB CS(=O)(=O)Nc1ccc(NC(=O)CCSc2ccccc2Cl)cc1 11362675 RPNKEDLOWANNRZ-UHFFFAOYSA-N 384.910 3.832 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12739038 YAPXIJLJGJLXFI-SFHVURJKSA-N 393.462 3.518 0 40 GHAB COC(=O)c1ccc(CSc2nnc(Nc3cccc(OC)c3)s2)o1 3439494 WSGINTNCWOZNNO-UHFFFAOYSA-N 377.447 3.962 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc2ccccc2s1 12999164 AVQKYJRDXDQSKZ-UHFFFAOYSA-N 387.486 3.994 0 40 GHAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)N[C@@H]1CCCc2ccccc21 13128589 HOAZGSKDGWAKNZ-WIYYLYMNSA-N 384.545 3.923 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 5002136 HPFOSLPXAITZIF-AEFFLSMTSA-N 395.455 3.561 0 40 GHAB O=C(CN1CCC(C2OCCO2)CC1)Nc1cccc(Oc2ccccc2)c1 69951682 SWLAFVITXDUBQP-UHFFFAOYSA-N 382.460 3.502 0 40 GHAB COc1ccc(-c2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)o2)cc1 4288512 CFFBZIAMLULNGF-LLVKDONJSA-N 380.429 3.835 0 40 GHAB Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n(CC(C)C)c1C 5262856 VOHGPXJQAJCENQ-UHFFFAOYSA-N 375.494 3.658 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(Br)c1)n1cnc2ccccc2c1=O 5244458 UBBLIHIULVUIQS-INIZCTEOSA-N 386.249 3.749 0 40 GHAB Cc1cccc(-c2noc(CN(C)C(=O)c3occc3Br)n2)c1 13957916 OYPRVPNOEZFKLP-UHFFFAOYSA-N 376.210 3.673 0 40 GHAB CO[C@H](C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1 65530141 PLSCUPDMEDGCBZ-FQEVSTJZSA-N 376.460 3.998 0 40 GHAB CCc1ccc2oc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc(=O)c2c1 5347228 XEPVRDFLGRPBEC-UHFFFAOYSA-N 396.874 3.971 0 40 GHAB COc1cc(CNCc2ccc(OC)c(OC)c2OC)ccc1OC(F)F 14200141 UAASRVBMTLBTHV-UHFFFAOYSA-N 383.391 3.612 0 40 GHAB C/C(=C/C(=O)O)C(=O)Nc1ccccc1N1CCN(c2ccc(Cl)cc2)CC1 4661711 RCVSPZXXCRHDHH-PFONDFGASA-N 399.878 3.636 0 40 GHAB Cc1ccc(-c2c(C)sc3nc(CSc4nncn4C)[nH]c(=O)c23)cc1 5667188 UYTIAAWLFIJUDT-UHFFFAOYSA-N 383.502 3.689 0 40 GHAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2C(=O)O)cc1 5719111 RYVBQGXBCBMJRF-ZDUSSCGKSA-N 387.432 3.933 0 40 GHAB Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)nnn1Cc1ccc(Cl)cc1 4878184 DFNLUXKMFBXKJI-UHFFFAOYSA-N 380.210 3.607 0 40 GHAB Cc1ccccc1-n1c(S)nc2ccc(I)cc2c1=O 4910007 YDXLMNOPWQKTCI-UHFFFAOYSA-N 394.237 3.587 0 40 GHAB Cc1c(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)nnn1-c1ccccc1 6914398 JGUCNHOIHAPHFM-UHFFFAOYSA-N 396.863 4.000 0 40 GHAB CCc1ccc(-c2nnn(CC(=O)N(CC)Cc3ccc(Cl)s3)n2)cc1 7041815 WBRHYSGDSHNYEN-UHFFFAOYSA-N 389.912 3.666 0 40 GHAB COc1cccc(NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 7313342 GJRRQQLWNOUFOZ-UHFFFAOYSA-N 391.452 3.772 0 40 GHAB CCC(=O)N(c1nnc(SCc2cc(-c3ccco3)on2)s1)C1CC1 7310745 JVDQCZPBEZVOFH-UHFFFAOYSA-N 376.463 3.984 0 40 GHAB COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1NC(C)=O 7402184 FTCHWUJSEDOOKH-UHFFFAOYSA-N 389.260 3.761 0 40 GHAB CCN(CC)CCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 7718458 UAILVHCPBWMBJV-UHFFFAOYSA-N 393.487 3.848 0 40 GHAB NC(=O)c1ccccc1OCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 7736676 POLHUTJSWPCHJX-OAQYLSRUSA-N 394.858 3.724 0 40 GHAB O=C(CSc1nnc2n1CCCCC2)N1CCS[C@@H]1c1ccccc1F 9512817 ASONNLQIYTXPTN-QGZVFWFLSA-N 392.525 3.510 0 40 GHAB FC(F)(F)c1cccc(C2(c3nnc(-c4cnccn4)o3)CCOCC2)c1 71889897 SGPDHVGQSZQCNG-UHFFFAOYSA-N 376.338 3.642 0 40 GHAB COc1ccc(CNC(=O)N[C@@H](C)c2nc3c(s2)CCCC3)cc1OC 72289192 RCZKSJHKBHMSHI-LBPRGKRZSA-N 375.494 3.600 0 40 GHAB CSc1nc(C(=O)/N=c2\[nH]c3ccccc3n2C(C)(C)C)c2ccccn12 84325736 RYVFZHICZZHJLD-UHFFFAOYSA-N 379.489 3.835 0 40 GHAB Cc1cc(CN2CCC[C@@]3(CN(CCC(C)(C)C)CC(F)(F)C3)C2=O)n(C)n1 306142013 WMTDLQJSPCLBKF-HXUWFJFHSA-N 396.526 3.615 0 40 GHAB O=C(Nc1ccncc1)C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 24701625 ASDFKBKQPPSCCX-UHFFFAOYSA-N 392.286 3.808 0 40 GHAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1cnccc1N1CCCCC1 95958979 INRBDTPTDLBGEZ-UHFFFAOYSA-N 383.477 3.755 0 40 GHAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 95975756 KVENKNMGBSUUPT-JTSKRJEESA-N 388.467 3.767 0 40 GHAB CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2Cl)CC1 408629259 SPDMNFNSUNPMNH-SOFGYWHQSA-N 387.867 3.644 0 40 GHAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1 408625481 YHODPZRYONRXNE-UHFFFAOYSA-N 385.489 3.869 0 40 GHAB CC[C@H](C)NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 113937738 SXJNLWJHRBQERO-KRWDZBQOSA-N 388.533 3.722 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 39772611 UYNDWHMNQCQIOV-LJQANCHMSA-N 396.531 3.799 0 40 GHAB CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)CCC1=O 408647439 JGKOMNDMDQDINL-KRWDZBQOSA-N 398.846 3.508 0 40 GHAB Cc1cc(C)cc(-n2ccnc(SCC(=O)Nc3ccc(F)cc3)c2=O)c1 4484246 FPXDCCXYMLTVFG-UHFFFAOYSA-N 383.448 3.719 0 40 GHAB Cc1cc(S(=O)(=O)NC[C@H](O)c2sccc2C)c(Cl)cc1Cl 70635775 AQLJYAQIEIWSPA-LBPRGKRZSA-N 380.318 3.684 0 40 GHAB COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)c4scnc4C)C3)n2)c1 72359710 QJXQMCMNHVYINW-MRXNPFEDSA-N 394.500 3.937 0 40 GHAB O=C(CN1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCCC1 72359368 LTANTOJZKUASCW-SFHVURJKSA-N 398.938 3.989 0 40 GHAB CC[C@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 223692059 CWBLKTLRIYJTJO-INIZCTEOSA-N 381.881 3.633 0 40 GHAB COc1cc(N2CCCCCC2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225957372 POMOTFJHXLHIEO-OAHLLOKOSA-N 385.537 3.913 0 40 GHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223270759 ZSXUXMRZWIESPR-QFIPXVFZSA-N 396.531 3.817 0 40 GHAB Fc1ccc(NC(=S)N2CCN(C3Cc4ccccc4C3)CC2)cc1Cl 225211108 YAHRMKGDKOFPBY-UHFFFAOYSA-N 389.927 3.961 0 40 GHAB O=C(NCCCc1ccco1)c1ccc(NS(=O)(=O)c2cccs2)cc1 223999641 RNUFRFKNLFERLG-UHFFFAOYSA-N 390.486 3.505 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)c1 224855717 QHNNWWKZZQISBU-PMACEKPBSA-N 394.500 3.912 0 40 GHAB Cc1cc(C)c(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c(C)c1 224711887 ZHABGCOXIKLTMC-UHFFFAOYSA-N 394.924 3.666 0 40 GHAB Cc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c(C)c1 222758965 QVHCKPOWMSSYPL-UHFFFAOYSA-N 396.512 3.539 0 40 GHAB Cc1cc(C)cc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225699125 IAUGBSICCANZLG-FQEVSTJZSA-N 380.532 3.830 0 40 GHAB CCCCNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 140135392 COTSUDCHDJYLBU-UHFFFAOYSA-N 394.924 3.836 0 40 GHAB C[C@H](NC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1)c1ccnc(O)c1 578318186 ZILRQKVHGPWJSD-ZDUSSCGKSA-N 386.521 3.773 0 40 GHAB Cc1ccccc1N1C[C@@]2(CCN(C(=O)c3cnc4ccccc4c3)C2)CC1=O 96238603 UTGNUCWXPDBYLQ-DEOSSOPVSA-N 385.467 3.812 0 40 GHAB CC[C@@](Br)([C@@H](O)c1ccc(Cl)cc1Cl)S(C)(=O)=O 96521561 CSDPTVHMQWBXNY-QWRGUYRKSA-N 376.099 3.573 0 40 GHAB CS(=O)(=O)CCCS(=O)(=O)Oc1ccc(Cl)cc1C1CCCCC1 97597070 GPQLFYHVFMFINS-UHFFFAOYSA-N 394.942 3.531 0 40 GHAB Cc1cccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)c1C 242566412 CFKRLNVCFIHDSN-UHFFFAOYSA-N 384.860 3.501 0 40 GHAB CCn1cc(CN2CC3(CO[C@@H]4c5cccc(OC)c5OC(C)(C)[C@H]4C3)C2)cn1 257216712 CVTWOEDONKQGEA-AZUAARDMSA-N 397.519 3.662 0 40 GHAB CNc1cc([C@H]2CCCN2C(=O)C2(Cc3ccc(F)cc3)CCOCC2)ccn1 257267906 MJJMPCXUJHDMRC-HXUWFJFHSA-N 397.494 3.965 0 40 GHAB CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C(C)C)CC1 257254416 KCYPANOVWYFAAD-UHFFFAOYSA-N 393.531 3.692 0 40 GHAB CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnnc1 257325235 WSALVUGXWNVWQT-CFKFVRPNSA-N 390.531 3.565 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccncc2)CC1 257310637 UFYAFKDMWKPDSR-RWQQGDIJSA-N 393.535 3.651 0 40 GHAB Cc1c(NC(=O)N2CCCC3(CC2)CC3)nnn1CCOc1ccc(F)cc1 626556166 JMYINNGKCHOXIL-UHFFFAOYSA-N 387.459 3.603 0 40 GHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CCc2cc(F)ccc21)CC3 596752269 HXMPEHUTYGMRHZ-QGZVFWFLSA-N 392.430 3.708 0 40 GHAB Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)Cn1cncn1 607858625 RVQOTXPFCCJUOI-UHFFFAOYSA-N 392.438 3.962 0 40 GHAB CCCc1c(NC(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)cnn1-c1cccc(C)c1 630569487 YSYHRBKWESLGEW-WBVHZDCISA-N 384.480 3.708 0 40 GHAB CC(C)(C)c1ccc(C[C@@]2(C)CCCN2C(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 618107467 WHOQUQNQAZJOMO-PGRDOPGGSA-N 391.577 3.733 0 40 GHAB COc1ccc(Cl)cc1C(=O)NCCc1csc(-n2nc(C)cc2C)n1 90609315 MLVPFKAQJBVNPN-UHFFFAOYSA-N 390.896 3.580 0 40 GHAB CN1Cc2ccccc2[C@H](NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 655741198 CEBUJPXEHSDSRA-WOJBJXKFSA-N 385.895 3.610 0 40 GHAB COc1ccc(-c2cnc3n2CCN(C(=O)c2cccc(F)c2C)CC3)cc1 585111174 HOUVAPBGAHOACY-UHFFFAOYSA-N 379.435 3.705 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)cc1C 58377253 NLASEJLOOFFGKU-UHFFFAOYSA-N 385.869 3.783 0 40 GHAB CC(C)NC(=O)[C@H](C)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 68860314 NQJMHSQRIDRBEZ-INIZCTEOSA-N 380.492 3.602 0 40 GHAB Cc1cc(C)c2[nH]c(=O)c(CNc3ccc(N4CCN(C)CC4)cc3)cc2c1 72396116 XCILUQPRIIOCHB-UHFFFAOYSA-N 376.504 3.509 0 40 GHAB CCCCN(C)C[C@@H]1[C@H](CC)CN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]1CO 1772594962 LGRNBUFPFGAMSB-IDHHARJASA-N 384.923 3.670 0 40 GHAB COc1ccc(Br)cc1CNc1ccc(CNc2ncn[nH]2)cc1 5139933 UHHMMCUQRDCILS-UHFFFAOYSA-N 388.269 3.800 0 40 GHAB O=C1CCCN1C(=O)CSc1nc2ccccc2n1CCc1ccccc1 5361446 WFYNUUDCMQSADN-UHFFFAOYSA-N 379.485 3.520 0 40 GHAB CN(Cc1ccccc1)C1CCN(Cc2nc(-c3cccnc3Cl)no2)CC1 13996418 WNKFFWZUJFDWRN-UHFFFAOYSA-N 397.910 3.881 0 40 GHAB O=C(c1cc(C2CCCCC2)no1)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 19292186 ZVBCBYAQHALFHB-LJQANCHMSA-N 395.507 3.525 0 40 GHAB CCC(=O)N1CC[C@@](Cc2ccccc2-c2ccncc2)(C(=O)NCC(C)C)C1 19498490 LZOKUTQRTMLITR-DEOSSOPVSA-N 393.531 3.692 0 40 GHAB COc1ccccc1OCc1cc([C@H]2CCN(C(=O)Cc3ccccc3)C2)n[nH]1 19696184 MNTWNTDKYLBYGF-SFHVURJKSA-N 391.471 3.556 0 40 GHAB CC(C)c1ccccc1OCC(=O)N1CCC[C@@H]1c1nnc(-c2ccccn2)o1 19453377 FYFMKPHLUUBPND-GOSISDBHSA-N 392.459 3.998 0 40 GHAB N#C[C@H](C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nnc2n1CCCCC2 5577359 HYADBRJABDHVLO-GOSISDBHSA-N 398.422 3.754 0 40 GHAB CCN1Cc2ccccc2NC2(CCN(Cc3scnc3C)CC2)CC1=O 2037985470 LCIALIDDQAUFCY-UHFFFAOYSA-N 384.549 3.650 0 40 GHAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)NCc1ccc(Cl)c(Cl)c1 3043662 PHQNSKVYWRTSFI-UHFFFAOYSA-N 394.283 3.682 0 40 GHAB Cc1ccccc1-c1nsc(SCC(=O)Nc2ccc3c(c2)OCO3)n1 4167467 ZLPRGKHHBGOMSH-UHFFFAOYSA-N 385.470 3.973 0 40 GHAB CCOc1ccc2nc(N3CCN(C(=O)Cc4ccccc4)CC3)sc2c1 5181212 FKBACACSDSGQHN-UHFFFAOYSA-N 381.501 3.586 0 40 GHAB CCc1cccc2sc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)nc12 10253215 LPEIXHUHDLNEEF-UHFFFAOYSA-N 388.514 3.834 0 40 GHAB CC[C@H](C(=O)Nc1cc(C2CC2)nn1-c1nc(C)c(C)c(=O)[nH]1)c1ccccc1 12127223 IIFDLURMQKHWCI-KRWDZBQOSA-N 391.475 3.582 0 40 GHAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2OC)o1 15881386 MEGKWORCUGOTCX-UHFFFAOYSA-N 376.416 3.901 0 40 GHAB Cc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1cccc(F)c1 16842242 DDMYNIIMDQCSMJ-UHFFFAOYSA-N 385.395 3.837 0 40 GHAB COc1ccc(OC)c(Nc2nc(CC(=O)NCCc3ccccc3)cs2)c1 16850252 CMAFSWGJWSYZSV-UHFFFAOYSA-N 397.500 3.805 0 40 GHAB C[C@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)N1CCN(C)CC1 22460011 CBSHKRGBEYFKGH-KBXCAEBGSA-N 377.941 3.509 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-c3ccsc3)o2)c(C)c1 575610199 LVYVBDXNNQUPSJ-UHFFFAOYSA-N 390.486 3.753 0 40 GHAB Cc1cc(OCC(=O)NC(=S)Nc2ccc(C(=O)O)cc2)cc(C)c1Cl 6571493 PRWKUYVPTFNIBJ-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB O=C1[C@@H]2N=NN(Cc3ccc(F)cc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 101167016 DMAODUWHGHUAPL-HUUCEWRRSA-N 393.205 3.626 0 40 GHAB Cc1c(C(=O)N2CCc3ccccc3C2)nnn1-c1ccc(Br)cc1 51317447 ASSMQCITKYIMMH-UHFFFAOYSA-N 397.276 3.537 0 40 GHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)Cc3ccccc3C)n2)cc1 11497703 CSNLRFQLAUPNTJ-UHFFFAOYSA-N 393.512 3.978 0 40 GHAB O=C(CN1CCC(CN2CCCCCC2)CC1)Nc1ccccc1OC(F)F 45806695 YLBYVDRMCHOECF-UHFFFAOYSA-N 395.494 3.815 0 40 GHAB CC(=O)N(c1ccccc1)c1nc(CSc2ncnc3c2cnn3C)cs1 11682846 BYWGMHQDCNORJS-UHFFFAOYSA-N 396.501 3.797 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccccn1 1362613 NNFUUIFSRDIDON-UHFFFAOYSA-N 395.488 3.684 0 40 GHAB CCCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1C(C)C 1364274 ZKIACQWGPRLFDV-UHFFFAOYSA-N 378.498 3.560 0 40 GHAB CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccccc4)nn32)cc1 20725800 SOTVGTCUSDLNFI-QGZVFWFLSA-N 375.432 3.591 0 40 GHAB CCC(CC)c1nnc(NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)s1 21301137 IOFNQOMNTUFQNS-INIZCTEOSA-N 390.509 3.656 0 40 GHAB CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@@](=O)C2 4105745 TXTUIQBGTDKKSI-MUUNZHRXSA-N 395.484 3.594 0 40 GHAB CSc1cccc(N2C[C@@H](C(=O)N[C@H](C)c3nc4ccccc4[nH]3)CC2=O)c1 32738356 KLEXKYMVUQAWCY-KGLIPLIRSA-N 394.500 3.515 0 40 GHAB O=C(CSc1nncc2c1[nH]c1ccc(F)cc12)NCCc1ccc(F)cc1 32752900 KZZJDQYUDORWDJ-UHFFFAOYSA-N 398.438 3.840 0 40 GHAB O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(OC(F)(F)F)cc1 32747307 CGPAWTDBQWOBMO-UHFFFAOYSA-N 398.724 3.604 0 40 GHAB CCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1ccc(O)c(OC)c1 4909834 KLUADFOIKPUDCK-OAQYLSRUSA-N 393.443 3.755 0 40 GHAB Cc1ccc2nc(COC(=O)c3cc(F)c(Cl)cc3Cl)cc(=O)n2c1 7551488 UVCHJMPDOIPSPD-UHFFFAOYSA-N 381.190 3.806 0 40 GHAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)N[C@H](C)c1ccccc1 7939844 NJJIDFJKKZPGNT-QGZVFWFLSA-N 396.487 3.778 0 40 GHAB CSc1ccc(Cl)c(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 29969348 JUPMRJXPWFDWBQ-UHFFFAOYSA-N 382.957 3.827 0 40 GHAB CCc1sc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)cc1C 32914508 WCLQOZYQJYOFNR-ZDUSSCGKSA-N 383.477 3.662 0 40 GHAB Cc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)Cc2ccccc2)c1 59502332 AEGYERBYNNCXCA-UHFFFAOYSA-N 384.435 3.824 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(OC)c1 641190 ULJSTFCFATWTEF-IBGZPJMESA-N 397.500 3.525 0 40 GHAB CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@H](c1ccccc1OC)C2 9938767 WJQWFLBOKKZTSQ-OAHLLOKOSA-N 391.475 3.632 0 40 GHAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3cccnc3Cl)n2)cc1 2633881 CZCSRZKNDDCLDY-UHFFFAOYSA-N 387.848 3.962 0 40 GHAB C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 22641044 JEGHFTNTXBMRAJ-HNNXBMFYSA-N 398.450 3.773 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Oc3ccccn3)cc2)cc1 22844842 BWTQLSBWEDMJEH-UHFFFAOYSA-N 384.413 3.600 0 40 GHAB COc1cc(CN(C)C[C@@H](O)COc2c(C)cccc2C)ccc1OC(F)F 23408718 QBAURQAZCBDYLU-QGZVFWFLSA-N 395.446 3.785 0 40 GHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Cc2ccc(F)c(Br)c2)c1 54710505 RIQCGPQUFCTCRK-LLVKDONJSA-N 393.256 3.967 0 40 GHAB C/C=C/c1ccc(OCC(=O)NCCOc2ccc(Cl)cc2)c(OC)c1 22655662 UTIHULBVXYOBCQ-ONEGZZNKSA-N 375.852 3.956 0 40 GHAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1C 12536150 JNFMAGSSPZISIC-UHFFFAOYSA-N 390.505 3.580 0 40 GHAB CCOC(=O)c1sc2nc([C@H](C)N(C)Cc3ccc(C)cc3)[nH]c(=O)c2c1C 57406510 IHNUCJRHBUJGEU-AWEZNQCLSA-N 399.516 3.971 0 40 GHAB COc1ccc(Cl)cc1NC(=O)COC(=O)COc1ccc(Cl)cc1 3238928 FVZSRJMFQITDKQ-UHFFFAOYSA-N 384.215 3.563 0 40 GHAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCN(C)c2ccc(Cl)cc21 173678133 NKODFPQIVUTUJF-UHFFFAOYSA-N 385.880 3.659 0 40 GHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NCc1ccco1 3220064 AAQPJNXQFGYYCM-UHFFFAOYSA-N 392.770 3.509 0 40 GHAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)OCN1C(=O)c2ccccc2C1=O 24760267 QTIOCNZGGLKUPW-MDZDMXLPSA-N 392.798 3.698 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)NCCOc1ccc(C(C)(C)C)cc1 58137781 GIRNEGKRNIKUKS-UHFFFAOYSA-N 383.536 3.924 0 40 GHAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1nc2c(s1)CN(C)CC2 27989459 MBNBWRMWWSXWGU-UHFFFAOYSA-N 398.488 3.567 0 40 GHAB CCNC(=O)c1cccc(CNC(=O)c2cc(Br)ccc2Cl)c1 36396913 CYVJHVZMVXQRPK-UHFFFAOYSA-N 395.684 3.782 0 40 GHAB CS(=O)(=O)Cc1cccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1 10883494 ITTCWBDGKDGEAW-UHFFFAOYSA-N 396.512 3.732 0 40 GHAB CCN(CC)CCN(CC(C)C)C(=O)/C=C/c1c(C)nc2sc(C)cn12 59118137 PGOGTAKEXZHQQW-MDZDMXLPSA-N 376.570 3.852 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccsc1 12807056 GOJGICNEEVEZPV-UHFFFAOYSA-N 376.434 3.940 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 12825045 KJCLAIYEACQIDL-GFCCVEGCSA-N 382.338 3.669 0 40 GHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)C(C)C)C1=O 3596129 BWZDSDVNKMGORL-HSZRJFAPSA-N 393.487 3.675 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Br)s1 12989851 FJPLAWWGFYGYGO-NSHDSACASA-N 391.294 3.925 0 40 GHAB O=C(Nc1ccccc1Cc1ccccc1)c1cccc(CN2C(=O)CNC2=O)c1 12981983 MSMDRVGMCDMOHF-UHFFFAOYSA-N 399.450 3.582 0 40 GHAB Cc1ccoc1C(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 12912514 PPKUDTUIXOLWHQ-UVTDQMKNSA-N 390.848 3.708 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)CCc2cccc(OC)c2OC)cc1 8539141 VLECYZQKGVOWBA-UHFFFAOYSA-N 384.476 3.757 0 40 GHAB COc1cccc(CNC(=O)COC(=O)c2ccccc2Oc2ccccc2)c1 6350906 DHVLFZQBPGPQSO-UHFFFAOYSA-N 391.423 3.961 0 40 GHAB COc1ccc(N/C=C2/C(=O)N(c3nccs3)C(=O)c3ccccc32)cc1 18044729 XMPNMFFGZPLNHQ-SFQUDFHCSA-N 377.425 3.792 0 40 GHAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)c1 4551460 YHQSHIIGSJJNMD-ZDUSSCGKSA-N 386.473 3.997 0 40 GHAB C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 14280006 XKRPXBAQTWVRTA-QOLSXCEWSA-N 375.538 3.569 0 40 GHAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc(Br)cc3)n2)c1 5483361 AYMOBPSPCBTJID-UHFFFAOYSA-N 384.233 3.556 0 40 GHAB Cn1c(-c2ccccc2)c([C@@H]2c3ccccc3C(=O)N2CC(N)=O)c2ccccc21 4734687 CUTNENYXFXTFST-DEOSSOPVSA-N 395.462 3.876 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1OC 4736068 BOFYIGLPHXBDLY-UHFFFAOYSA-N 383.473 3.783 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)N(CC)CC)cc2)cc1 408591324 LASIPKCQITYFLL-UHFFFAOYSA-N 391.493 3.760 0 40 GHAB CCCn1c(SCC(=O)Nc2ccon2)nnc1-c1ccc(Cl)cc1 8704126 QGKCAKOYMHGIHI-UHFFFAOYSA-N 377.857 3.727 0 40 GHAB COc1ccc(-c2cc3c(=O)n(Cc4cc(F)ccc4F)ccn3n2)cc1OC 67260819 RFHVNEAVSBABAY-UHFFFAOYSA-N 397.381 3.507 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3cc(-c4ccccc4)nn32)cc1OC 20726203 UYNNMTSGKJEXGE-MRXNPFEDSA-N 392.415 3.739 0 40 GHAB CCc1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CC(C)C 67237679 JIXQKTYVQZFDSE-UHFFFAOYSA-N 398.532 3.982 0 40 GHAB CN(Cc1ccccc1F)C(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 69347850 QGIXJPRVMCTYMX-CQSZACIVSA-N 394.368 3.856 0 40 GHAB Cc1cccc(C)c1NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 409262586 IZNIHFWWXRMLBF-UHFFFAOYSA-N 388.533 3.952 0 40 GHAB Cc1nc(CN2CCC3(CC2)NC(=O)c2sc(-c4ccccc4)nc23)cs1 306131553 KILMJRXJCWJGSN-UHFFFAOYSA-N 396.541 3.810 0 40 GHAB Cc1c(CNC(=O)c2cc(I)c[nH]2)oc2ccc(F)cc12 522792305 TYGUHWGTLCEKNE-UHFFFAOYSA-N 398.175 3.743 0 40 GHAB CN1CCN(Cc2cccs2)C[C@H]1c1cn2c(-c3ccncc3)cccc2n1 306127780 GHLKVRSRGMBQGU-NRFANRHFSA-N 389.528 3.947 0 40 GHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCc1cccs1)[C@@]1(C2)NC(=O)c2ccccc2O1 72339003 TUBSUMCPLNXBMM-PNEUHGTJSA-N 396.512 3.709 0 40 GHAB Cc1[nH]c2ccc(CNC(=O)CCN3C(=O)CSc4ccccc43)cc2c1C 520455146 BGGXZBDGRRPRGM-UHFFFAOYSA-N 393.512 3.930 0 40 GHAB CS(=O)(=O)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 72348977 FGVPPAFCQBMXIF-UHFFFAOYSA-N 398.450 3.830 0 40 GHAB O=C(Nc1ccccc1N1CCCCCC1)[C@H]1CCCN(c2cnccn2)C1 45715130 ZJMKTAPUULQGSL-SFHVURJKSA-N 379.508 3.712 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 40012826 PXIUGGHBQAUTNF-QFIPXVFZSA-N 382.552 3.652 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc2c(c1)CCCC2 223059623 KEIJCMVTBFUMIL-NRFANRHFSA-N 386.517 3.953 0 40 GHAB Cc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c(C)c1 225950505 OQMYHWNNOOJNSW-QGZVFWFLSA-N 380.897 3.576 0 40 GHAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)c(OC)c1 41095046 NREYZUYAPOTVIE-UHFFFAOYSA-N 376.316 3.801 0 40 GHAB COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccccc1 224089386 RUTPZWPURSOGCS-UHFFFAOYSA-N 376.412 3.625 0 40 GHAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O 223257734 MSNZTQXUTNXDKF-QFIPXVFZSA-N 382.504 3.571 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257201254 AGWZDROGGAHIIM-INIZCTEOSA-N 395.434 3.828 0 40 GHAB COc1ccc(C(=O)N2C[C@@H](c3nc(C)no3)[C@H](c3ccccc3)C2)cc1F 252489519 JSJPAFIVECACKE-DLBZAZTESA-N 381.407 3.549 0 40 GHAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1cc(Br)cs1 252537004 KCULGGNOLYSTCL-UHFFFAOYSA-N 395.326 3.510 0 40 GHAB c1cc(-c2cncnc2)nc([C@@H]2CN(Cc3ccnc4ccccc34)CCO2)c1 257254519 KDLRJMYUPWVDSH-QHCPKHFHSA-N 383.455 3.660 0 40 GHAB O=C(c1ccc(-c2cnco2)cc1)N1CCC(O)(Cc2ccccc2F)CC1 1256156299 MOCCCIIOKAWONV-UHFFFAOYSA-N 380.419 3.691 0 40 GHAB O=C(/C=C/c1cccnc1)N1CCCC[C@H]1c1csc(Nc2ncccn2)n1 585293183 RTFLSDKLYBFZSQ-OZSKJFCKSA-N 392.488 3.839 0 40 GHAB O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cccc(F)c3)C[C@H]12)c1ccncc1 585109765 QTUVKBYNOYCYOD-RJGXRXQPSA-N 387.458 3.921 0 40 GHAB Fc1cccc(-c2cnc(Nc3cc(C[C@@H]4CNCCOC4)ccn3)s2)c1 585263280 UWIAGEDQQWZFDD-OAHLLOKOSA-N 384.480 3.866 0 40 GHAB Clc1ccc2ncc(-c3cccc(C[C@H]4COC5(CCNCC5)C4)n3)n2c1 585263441 ZIPLQFUAXNEBHW-OAHLLOKOSA-N 382.895 3.751 0 40 GHAB O=C(NC1CC1)[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 57568194 QEHOJHMFOMPZHD-KRWDZBQOSA-N 382.357 3.834 0 40 GHAB O=C(CSc1ccc(F)cc1)N1CCC(CSC2=NCCS2)CC1 90608328 BIRMTAZOZFGJJP-UHFFFAOYSA-N 384.567 3.992 0 40 GHAB COc1ccccc1N1CCN(C(=O)/C=C/c2ccc(OC(F)F)cc2)CC1 3296950 MIFPCTXHMKPEHM-DHZHZOJOSA-N 388.414 3.659 0 40 GHAB COc1c(C(=O)NCc2noc(-c3ccccc3)n2)cnc2cc(Cl)ccc12 12116919 ZRNRMRFEOQOHRO-UHFFFAOYSA-N 394.818 3.877 0 40 GHAB Cc1nc(OC(C)C)cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 12224234 MCHKHVKMFKJKPV-UHFFFAOYSA-N 389.887 3.580 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 12531674 URZWTVUBXXDIHI-UHFFFAOYSA-N 382.851 3.715 0 40 GHAB O=c1nc(-c2ccncc2)[nH]c2c1CCN(CC1(c3ccc(Cl)cc3)CC1)C2 19332793 JUXYSFSZEOBKOX-UHFFFAOYSA-N 392.890 3.575 0 40 GHAB O=C(Nc1ncc(Cc2ccccc2F)s1)c1cnc(N2CCCCC2)nc1 19349690 BPCQJXPQHKQMKV-UHFFFAOYSA-N 397.479 3.906 0 40 GHAB CCn1ncc(-c2cc(C(=O)Nc3nc(-c4ccccn4)cs3)on2)c1C 19665050 ZGSABQUQTJUSHZ-UHFFFAOYSA-N 380.433 3.637 0 40 GHAB COc1cccc2cc(C(=O)N3CC[C@@](O)(c4ccc(C)cc4)C3)c(C)nc12 19715221 FMKHUUBDUKRVGM-QHCPKHFHSA-N 376.456 3.594 0 40 GHAB CCc1nc2ccccc2n1[C@@H](C)C(=O)Nc1nc(-c2cn(C)nc2C)cs1 19718469 GHYZPWNBJCHICQ-ZDUSSCGKSA-N 394.504 3.964 0 40 GHAB Cc1ccc(OCCn2cncc2-c2cnc(N3CCOCC3)s2)c(C)c1 19719541 XFVNLEGIEGTLIK-UHFFFAOYSA-N 384.505 3.539 0 40 GHAB CCOc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OCc1ccc(F)cc1 807762 XAVZZPVOFMSZEX-YJBOKZPZSA-N 377.437 3.592 0 40 GHAB COc1ccccc1CC(=O)N1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21 19569688 GIDFVLMONSYAHJ-PQNGQFLHSA-N 378.516 3.765 0 40 GHAB CCOc1ccc(-n2c(SCC(=O)NCCCOC)nc3ccccc32)cc1 4253379 HWNKULPBSXDFHT-UHFFFAOYSA-N 399.516 3.669 0 40 GHAB O=C(Nc1ccccc1)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775996316 VUZHSNZWIDUBEN-ZDUSSCGKSA-N 391.269 3.562 0 40 GHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C)s3)ccc21 8840758 SKAGHVMLZMJPCY-UHFFFAOYSA-N 378.519 3.937 0 40 GHAB CN1CCN([C@@H](CNC(=O)Nc2ccc(Cl)cc2)c2ccc(F)cc2)CC1 22794455 RSZQMWTWSFVOAU-IBGZPJMESA-N 390.890 3.589 0 40 GHAB Cc1nn(CCNC(=O)c2cc3ccccc3oc2=O)c(C)c1-c1cccs1 575613231 XRAVVMGEFBHDCW-UHFFFAOYSA-N 393.468 3.765 0 40 GHAB O=C(CCCNC(=O)c1ccco1)Nc1ccc(-n2cnc3ccccc32)cc1 10427380 PSRXPUFUVOICBB-UHFFFAOYSA-N 388.427 3.767 0 40 GHAB COc1ccc(F)cc1-c1csc(NC(=O)CCn2c(C)csc2=O)n1 40111296 IEEWDFZTZFRECU-UHFFFAOYSA-N 393.465 3.518 0 40 GHAB CCc1ccc(-c2csc(NC(=O)CCS(=O)(=O)CC(C)C)n2)cc1 40117636 UQFHGPIYVFAEMI-UHFFFAOYSA-N 380.535 3.772 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)cc1 11552091 ZUUGLNREPATKST-VQIMIIECSA-N 388.508 3.586 0 40 GHAB O=C(OCc1nc2ccccc2o1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 8542335 XRGFRPMHMWCNEZ-UHFFFAOYSA-N 389.411 3.621 0 40 GHAB COc1ccc(OC)c(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1 785817 ZETPCFQBNIKXTN-UHFFFAOYSA-N 382.504 3.574 0 40 GHAB C[C@H](C(=O)N1c2ccccc2CCc2ccccc21)n1nnc(-c2cccnc2)n1 932073 YUYAKVJOTWNXKC-MRXNPFEDSA-N 396.454 3.760 0 40 GHAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)NCc1ccc(F)cc1 8604954 OTDVZVMTAXNWIP-UHFFFAOYSA-N 393.461 3.696 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccco1 1364374 DUYPOYGCZCMXRA-UHFFFAOYSA-N 399.476 3.637 0 40 GHAB CCOC(=O)N1CCN(C(=O)c2cc3sccc3n2Cc2ccccc2)CC1 40787173 AFVIONQOOQMZKY-UHFFFAOYSA-N 397.500 3.665 0 40 GHAB Brc1cc(Br)c(OC[C@H]2CO2)c(Br)c1 1576996 NXJGWHGJPITYOJ-ZCFIWIBFSA-N 386.865 3.752 0 40 GHAB CC(C)c1ccc(NC(=O)c2nnn3c2[nH]c(=O)c2cc(Cl)ccc23)cc1 20737659 NDEDYMKEEDKAPI-UHFFFAOYSA-N 381.823 3.600 0 40 GHAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1=O)S[C@@H](C)C2 4107981 HJILKHZHMNOVOE-JTQLQIEISA-N 380.922 3.928 0 40 GHAB O=C(Oc1ccc(Cl)cc1)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 102082891 DRFFJAFFOMLLGK-AAVKCTGRSA-N 399.874 3.611 0 40 GHAB CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3OC)CC2)cc1 4888432 GEKRFHQSFYXTKD-UHFFFAOYSA-N 397.475 3.520 0 40 GHAB CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)Nc3nccs3)n12 4898240 UHOHJZGYNSRGFE-UHFFFAOYSA-N 398.517 3.762 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 4994611 MRXSHMNNKVMOCU-ZTFGCOKTSA-N 382.526 3.946 0 40 GHAB CCOc1ccc2nc(SCC(=O)N3CC(=O)Nc4ccccc43)sc2c1 2635207 DPYOROPOVJWCQN-UHFFFAOYSA-N 399.497 3.772 0 40 GHAB Cc1cc(C)cc(NC(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 8335671 AXMJPMNKKJILJQ-UHFFFAOYSA-N 387.288 3.527 0 40 GHAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)COc1cc(Cl)ccc1Cl 32900506 WJKDTQNRQZBXHW-UGFHNGPFSA-N 386.275 3.705 0 40 GHAB CCc1ccc(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 23211938 DZHJGIQZKCVYOM-FQEVSTJZSA-N 388.939 3.773 0 40 GHAB COc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1N 57340517 XFFRAOGUOLUPSO-UHFFFAOYSA-N 379.254 3.836 0 40 GHAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc(Cl)cc3F)ccc21 12562423 NDCZTYMYFISAHB-LLVKDONJSA-N 375.831 3.827 0 40 GHAB COc1cccc(C(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)c1OC 24924708 DFFXUOPNZDTJCY-UHFFFAOYSA-N 394.403 3.980 0 40 GHAB O=c1cc(CN2CCN(c3ccccc3)CC2)occ1OCc1cccc(F)c1 56949950 QNRWSRZDWOZCRM-UHFFFAOYSA-N 394.446 3.680 0 40 GHAB CSc1nc(C)c(CCC(=O)O[C@@H](C)C(=O)c2ccc(F)cc2)c(C)n1 26706229 IGVHPAKXMRHAOV-ZDUSSCGKSA-N 376.453 3.702 0 40 GHAB O[C@@H](CSc1nnc2c(Cl)cc(Cl)cn12)c1ccc2c(c1)OCO2 71810495 MWEVXOABSRWHNC-NSHDSACASA-N 384.244 3.591 0 40 GHAB CCOC(=O)c1c(NC(=O)CNCCc2ccccc2)sc2c1CCCC2 1930698 QIQPJUJJTNUBNC-UHFFFAOYSA-N 386.517 3.574 0 40 GHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3cccc(C)c3NC(C)=O)o2)cc1 22764645 OYOQQUTTXOFXNR-CYBMUJFWSA-N 395.415 3.930 0 40 GHAB Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCc2cccc(F)c2)o1 2152425 XGATXNZZLMNZAX-QNGOZBTKSA-N 392.430 3.857 0 40 GHAB CN([C@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ncn(C)c1Cl 27968598 ZBHYDUKBEVMRRQ-MRXNPFEDSA-N 393.871 3.623 0 40 GHAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1cccc(C(=O)NC2CC2)c1 10671122 VEQYUEKGRHPDOD-UHFFFAOYSA-N 393.418 3.944 0 40 GHAB O=C(Cn1cnc2ccsc2c1=O)NCc1ccc(-c2ccc(Cl)cc2)o1 12748176 DBJKGGURNYNXTC-UHFFFAOYSA-N 399.859 3.688 0 40 GHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccc(Cl)cc2)cc1 2445408 ACVWHBSEHRVQFW-UHFFFAOYSA-N 393.874 3.716 0 40 GHAB CC1CCN(C(=O)[C@H](C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 71906220 GDSOFQPZGOQMMZ-LBPRGKRZSA-N 378.321 3.555 0 40 GHAB C[C@@H]1CCC[C@H](N2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 19842024 ZEMFQGKVCPZJSG-WBVHZDCISA-N 395.341 3.551 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)c1cnn(-c2ccccc2)c(=O)c1Cl 13096391 CSWUXPADFVCDAO-UHFFFAOYSA-N 396.878 3.578 0 40 GHAB O=S(=O)(c1ccc(N2CCC[C@H]2c2cccs2)nc1)N1CCCCC1 25607055 QDCLKZRXFQCVCU-INIZCTEOSA-N 377.535 3.659 0 40 GHAB CCOC(=O)Nc1ccc2c(CN3CCc4ccccc4C3)cc(=O)oc2c1 49553051 XKOSMGUWMVBFGB-UHFFFAOYSA-N 378.428 3.920 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCSCc1ccccn1 39563665 BIKGTHDVDRRZKK-MRXNPFEDSA-N 381.505 3.505 0 40 GHAB Cc1ccc(-n2cnnc2S[C@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)c1 6104103 SLCMQBTZJHNRTF-CQSZACIVSA-N 377.473 3.974 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)Cn3cnc4sc(C)c(C)c4c3=O)c2C)no1 6111097 NNMURXAZCXYBAV-UHFFFAOYSA-N 396.472 3.662 0 40 GHAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc3nsnc23)cc1 19077468 CUBFVHKQNKLLJZ-UHFFFAOYSA-N 396.501 3.620 0 40 GHAB Cc1ccc2nc(-c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)cn2c1 6244499 OYVSHSIYQRRBRE-IRXDYDNUSA-N 383.517 3.976 0 40 GHAB CCC12CN3CC(C)(CN(C1)C3c1ccc(OCc3ccccc3)cc1)C2=O 19327305 ZRCACQRXQQYBNJ-UHFFFAOYSA-N 376.500 3.881 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1nnc2ccccc2c1=O 6659854 KOOGIJPMORVKET-HNNXBMFYSA-N 377.231 3.688 0 40 GHAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(F)c(Cl)c3)C2=O)cc1Cl 6844511 NCERCEWTJWOCLW-CQSZACIVSA-N 383.206 3.885 0 40 GHAB CN(C)C(=O)[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1 6842739 AJRBGFIIFQBWAS-LJQANCHMSA-N 392.411 3.518 0 40 GHAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC(C(=O)Nc2ccccc2O)CC1 15044212 BCOZCHIFQIFKFD-HNNXBMFYSA-N 391.471 3.795 0 40 GHAB COc1ccccc1-n1c(SC[C@@H]2CCCCO2)nnc1N1CCCCC1 6994147 NHGCGTSKFVTTMC-INIZCTEOSA-N 388.537 3.927 0 40 GHAB Cc1cccc(OCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 7015053 FFPGWGHGZANZLN-UHFFFAOYSA-N 386.451 3.869 0 40 GHAB CC(C)OC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 15361925 JAXNKHFDTUOLKK-ZDUSSCGKSA-N 387.910 3.763 0 40 GHAB Cc1cc(NC(=O)c2ccn(COc3ccccc3)n2)n(-c2ccc(F)cc2)n1 28306407 ARIVSDLSEGCGGB-UHFFFAOYSA-N 391.406 3.805 0 40 GHAB CN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1cnn(-c2ccccc2)c1 8161283 DXYZLENIRPEJCB-UHFFFAOYSA-N 389.503 3.543 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc(Br)cc2)n[nH]1 8117930 XOHXQERNUMUUTO-UHFFFAOYSA-N 386.205 3.820 0 40 GHAB CCn1nccc1[C@@H](C)NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 17079320 SZNBWZSPNJQDQK-OAHLLOKOSA-N 388.475 3.745 0 40 GHAB Cc1c(F)cccc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1 84041218 UBJGUIPISOAREO-UHFFFAOYSA-N 378.208 3.940 0 40 GHAB COc1ccc(CN[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC 9834715 WZINCBKDQLPAQY-KRWDZBQOSA-N 397.519 3.811 0 40 GHAB CN(C(=O)CCCN1CCOC1=O)c1nc2c(s1)C[C@@H](c1ccccc1)CC2 95958625 UFKITDXBFVFTJL-INIZCTEOSA-N 399.516 3.611 0 40 GHAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Br)c1OC 409120274 UWAMFXJOMYFCBW-XYOKQWHBSA-N 386.267 3.913 0 40 GHAB Cc1cc(C(=O)N2CCC3(CCc4ncc(-c5ccsc5)n4C3)CC2)no1 306145126 ZZAIXYFEUOXQOO-UHFFFAOYSA-N 382.489 3.777 0 40 GHAB CC(C)(C)CN1CCC[C@@H](N2CCO[C@@H](c3c(F)cccc3Cl)C2)C1=O 1559971485 NCYITWDWOZSZFZ-IAGOWNOFSA-N 382.907 3.890 0 40 GHAB COc1ccccc1N1CCN(C(=O)C[C@H](c2ccsc2)n2cccc2)CC1 524735689 RMVWGKCTFXOQGW-HXUWFJFHSA-N 395.528 3.887 0 40 GHAB CC(=O)N1CCC(N2CCC[C@@H]2c2cncc(Oc3ccc(F)cc3)n2)CC1 72384371 XROROPFXYUFFSI-HXUWFJFHSA-N 384.455 3.556 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219861236 KKQMFKZBRUTWCE-SFHVURJKSA-N 382.504 3.804 0 40 GHAB CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCC[C@H](C)C3)c(O)n2n1 36104750 SFPWLMHEFAJCJB-SUMWQHHRSA-N 386.521 3.889 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 31499006 BJCHZOKVJDEECA-OAHLLOKOSA-N 379.478 3.586 0 40 GHAB COC(=O)c1cc(OCC(=O)Nc2ccc(C)c(C)c2)c2cc(F)ccc2n1 65033265 LOCLUTHUVDPMLD-UHFFFAOYSA-N 382.391 3.795 0 40 GHAB COC(=O)c1cc(OCC(=O)Nc2cc(C)ccc2C)c2cc(F)ccc2n1 65033309 BMIPENNAJDRUAD-UHFFFAOYSA-N 382.391 3.795 0 40 GHAB CN(C(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)C1CCCC1 44949139 VNKLIBQBICGMDS-UHFFFAOYSA-N 386.517 3.667 0 40 GHAB COc1cc(C)c(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C 224175296 JYPVBSUSFCBVLP-INIZCTEOSA-N 375.490 3.893 0 40 GHAB NC(=O)c1ccc(OCc2cccc(Br)c2)c(Br)c1 226326325 PJSITVSAKXGLIY-UHFFFAOYSA-N 385.055 3.890 0 40 GHAB O=C(N1CC(n2cc(-c3ccccc3)nn2)C1)C1(c2cccs2)CCCC1 225661864 LDKCDFZRTCKRLZ-UHFFFAOYSA-N 378.501 3.902 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 223034882 LYLCVNYTUJSCPO-IBGZPJMESA-N 396.531 3.880 0 40 GHAB Fc1ccc(Nc2ncnc3c2cnn3C2CCNCC2)cc1C(F)(F)F 228942294 FGBNQZLNYSILPE-UHFFFAOYSA-N 380.349 3.652 0 40 GHAB Cc1ccc(SCCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224707535 SYZNQCVCXIUEJY-UHFFFAOYSA-N 384.545 3.626 0 40 GHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223200520 FOGSBFBSSAYIMP-OAQYLSRUSA-N 384.495 3.948 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(OC)c1 222797419 UERRMNOOLUMZSD-UXHICEINSA-N 378.501 3.873 0 40 GHAB O=C(Cc1c(F)cccc1Cl)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211708 QQKOYUJLPYSAHE-UHFFFAOYSA-N 398.869 3.761 0 40 GHAB Cc1cccc(NC(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3ccc4c(c3)OCO4)C2)c1 96075119 RNXHWZGMMBBFAE-VGOFRKELSA-N 393.443 3.606 0 40 GHAB CSCC[C@H](NC(=O)c1nn(C)c2ccccc12)c1nc2ccccc2[nH]1 96231034 KAGGUDJPKDLGOV-INIZCTEOSA-N 379.489 3.674 0 40 GHAB CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(Cl)c(Cl)c1 244177092 VGXQGOJFULSGFC-UHFFFAOYSA-N 393.336 3.598 0 40 GHAB CC(=O)Nc1nc2nc(C3CCN(C(=O)c4ccccc4F)CC3)ccc2s1 257343303 ZSILBTBOOKWUKD-UHFFFAOYSA-N 398.463 3.809 0 40 GHAB COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCn1c(C)ccc1C 604406202 ZAXFKAPJTMMVMI-FCHUYYIVSA-N 389.584 3.625 0 40 GHAB biogenic CCOc1ccc(C[C@H](C)CNC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc1 663212918 JWEASZOIKXVUQE-INIZCTEOSA-N 384.524 3.781 0 40 GHAB O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1ccccc1-n1ncc2c(O)ncnc21 668100703 VIRDOWMYOCPIOX-KXBFYZLASA-N 399.401 3.675 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1cnc(Oc2ccccc2F)nc1 585437723 YJCPNASNFNDRKG-UHFFFAOYSA-N 377.372 3.656 0 40 GHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 3234763 ILNPPEBYSRMAMG-WPDQGGSQSA-N 388.460 3.976 0 40 GHAB Cc1ccc(C(=O)N(CCN(C)C)c2nc3cc4c(cc3s2)OCO4)cc1 5121436 KXAUHCIRVJKWFJ-UHFFFAOYSA-N 383.473 3.542 0 40 GHAB COC(=O)c1ccc(CSc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1 5435491 JTFXDKJFXSQXSU-UHFFFAOYSA-N 386.429 3.833 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)N1CCCCC1 5676501 BXQHTOVLYMJFEF-UHFFFAOYSA-N 394.443 3.700 0 40 GHAB O=C1N[C@@H](CC(=O)N2[C@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)c2ccccc21 12181020 YHHFIEZMHWSCPC-NZZOTNDHSA-N 378.447 3.938 0 40 GHAB CC1CCN(CCCNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 12937508 LDKOMYKFBVSSGF-UHFFFAOYSA-N 382.479 3.909 0 40 GHAB C[C@H]1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2S1 14199653 BBKHEZNITMHNQQ-AWEZNQCLSA-N 380.469 3.590 0 40 GHAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 14903976 OGKKSFNMJPRDQP-BOPFTXTBSA-N 382.441 3.679 0 40 GHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCC(C)CC3)c2)cc1 15706392 IQEPXYWTQAZXFK-UHFFFAOYSA-N 386.517 3.692 0 40 GHAB O=C(CN1CCC(Oc2ccc(F)cc2)CC1)Nc1nc2c(s1)CCCC2 19657934 CDUOYAULIOFQKM-UHFFFAOYSA-N 389.496 3.643 0 40 GHAB Cc1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)ncc1C(=O)Nc1ccccc1 19765119 IDAAXFQKSYVVTQ-GOSISDBHSA-N 392.503 3.934 0 40 GHAB COc1ccc([C@H](C)NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1 19937729 UUTNGVQEHYOIMV-ZDUSSCGKSA-N 397.862 3.519 0 40 GHAB Cc1nc2cc(NC(=O)CN3CCC(Oc4ccc(F)cc4)CC3)ccc2n1C 19657995 GBUBAMLXNPSKBV-UHFFFAOYSA-N 396.466 3.503 0 40 GHAB Cc1cc(N2CCN(c3nc4c(C)cccc4s3)CC2)n2nc(C)cc2n1 1889002143 UJLPLSLKDQYDCS-UHFFFAOYSA-N 378.505 3.591 0 40 GHAB O=C(O)c1ccccc1-c1ccc(CN2CCCC[C@H]2c2cc(CO)[nH]n2)cc1 1848353750 PODAFCCOZGISKF-QFIPXVFZSA-N 391.471 3.994 0 40 GHAB C[C@@H](Sc1ncnc2sccc12)C(=O)N1CCN(Cc2ccccc2)CC1 22024900 YISOSHDXGSELGJ-OAHLLOKOSA-N 398.557 3.516 0 40 GHAB COc1ccc(C)cc1CC(=O)N1CCC[C@@](O)(COc2ccc(C)c(C)c2)C1 2037913089 QCYWKMGHSXOIAX-DEOSSOPVSA-N 397.515 3.595 0 40 GHAB Cc1n[nH]c(C)c1CCC(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 2087087324 YQUZBHPQWHCPOV-UHFFFAOYSA-N 397.910 3.962 0 40 GHAB Cc1csc2ncc(C(=O)NC(c3ccccc3)c3ccccc3)c(=O)n12 4121111 HFIKEYIBTZANTI-UHFFFAOYSA-N 375.453 3.584 0 40 GHAB CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccccc1C)C[S@@](=O)C2 4105759 WJWWOADYSGKMJX-MUUNZHRXSA-N 395.484 3.594 0 40 GHAB O=S(=O)(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1cccs1 4305581 FTQGAYHYFCKCFD-INIZCTEOSA-N 390.555 3.892 0 40 GHAB Cc1ccccc1-n1ncc2c(=O)n(Cc3cccc(C(F)(F)F)c3)cnc21 4479061 PPDLTUXCIWBEEV-UHFFFAOYSA-N 384.361 3.958 0 40 GHAB O=C(CSc1ccc(NC(=O)C2CC2)nn1)Nc1cccc(C(F)(F)F)c1 11738067 UOISDJZMPNVSAS-UHFFFAOYSA-N 396.394 3.575 0 40 GHAB COc1ccccc1NC(=O)CCCn1nc(-c2ccc(C)cc2)ccc1=O 12441097 GHNXBNPNCBJCFO-UHFFFAOYSA-N 377.444 3.646 0 40 GHAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)o2)cc1 575610994 RZNQELVHNVSGJM-UHFFFAOYSA-N 388.445 3.613 0 40 GHAB Cc1cc2cc(CCNC(=O)c3ccc(Br)cc3)c(=O)[nH]c2cc1C 4032754 ULWPMNOZKMYITA-UHFFFAOYSA-N 399.288 3.880 0 40 GHAB Cc1ccc(Nc2nc(NCc3ccc4c(c3)OCO4)nc3nccnc23)cc1 9074191 NZFRLWNUTFAXSP-UHFFFAOYSA-N 386.415 3.813 0 40 GHAB COc1ccc(-n2nc(C(=O)N3CCCCCC3)nc2-c2ccccc2)cc1 13568885 DIIQGWNPMXWDNW-UHFFFAOYSA-N 376.460 3.959 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)CCNC(=O)c3ccccc3)ccc2s1 40082325 PDNUZFKMWRGIHK-UHFFFAOYSA-N 396.468 3.837 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4C)CC3)no2)cc1 20028681 CVABRRDTNLYOAT-UHFFFAOYSA-N 375.472 3.916 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(Cl)nc3)n2)cc1 7735519 PIXPGEMAQGPRFJ-UHFFFAOYSA-N 386.864 3.747 0 40 GHAB CCCOC(=O)c1cccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1 1771299 YBNOCPGZSRGORE-UHFFFAOYSA-N 395.411 3.686 0 40 GHAB Cc1c(Cl)c(=O)oc2cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc12 2300700 GAQUMWUXAHTUSJ-SNVBAGLBSA-N 381.812 3.573 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)[C@@H](O)CC(=O)O 2549338 LKPXYFSLJGUMDX-OALUTQOASA-N 385.460 3.625 0 40 GHAB Cc1ccc(C)c(OC2CCN(C(=O)c3csc(-c4ncccn4)n3)CC2)c1 55709703 ACANDNAJPXWKCE-UHFFFAOYSA-N 394.500 3.901 0 40 GHAB CCOc1ccccc1CN(C[C@@H](C)O)C(=O)c1ccc(OC(F)F)cc1 32819157 LMPVFZGXUOJJJE-CQSZACIVSA-N 379.403 3.710 0 40 GHAB C[C@@H](OC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1c[nH]c2ccccc12 32910971 IQCBYWCRYOQIFZ-CXAGYDPISA-N 386.448 3.682 0 40 GHAB O=C(Nc1nc(CC(=O)N2CCCCCCC2)cs1)c1ccccc1F 46569007 NJPMJANUROYYPP-UHFFFAOYSA-N 375.469 3.870 0 40 GHAB COc1ccc(NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)c(OC)c1 23144055 LETXQPKIMXEUCN-UHFFFAOYSA-N 388.427 3.754 0 40 GHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCN(c3ccccc3)CC1)C2 104489287 JQRIJBVNFRDMPG-NQRVTCLYSA-N 386.580 3.791 0 40 GHAB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1ccc(OC[C@H]2CCCO2)cc1 21977373 RTYGQJPMNPLKON-MRXNPFEDSA-N 390.819 3.984 0 40 GHAB Cc1ccc(Cl)cc1N1CCN([C@H](c2nnnn2C(C)(C)C)C(C)C)CC1 57669706 WOQNZXZCMDLGIZ-SFHVURJKSA-N 390.963 3.909 0 40 GHAB Cc1cc(NC(=O)S(=O)(=O)c2ccccc2)ccc1NC(=O)c1ccco1 861651 WHVJJBUIEYXCEG-UHFFFAOYSA-N 384.413 3.846 0 40 GHAB CCn1cc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)ccc1=O 47181475 DHQUDYHFEHOVPV-UHFFFAOYSA-N 385.514 3.762 0 40 GHAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166396 OLYOTEAWHBBYRY-QZTJIDSGSA-N 391.446 3.542 0 40 GHAB Cc1ccc(N2C(=O)/C(=C\NC[C@H]3CCCO3)c3ccccc3C2=O)cc1C 105015628 IRJXQYUBBMUNDN-MKYLKIGJSA-N 376.456 3.600 0 40 GHAB O=C(NC1CCN(C(=O)Nc2nc3ccccc3s2)CC1)c1ccc(F)cc1 24694733 KVZHCFVJTRCTQM-UHFFFAOYSA-N 398.463 3.862 0 40 GHAB C[C@@H]1CN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C[C@@H](C)O1 12581153 ZHNBSYIYHSAIRM-HZPDHXFCSA-N 381.501 3.876 0 40 GHAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@@H](C)c1ccc(F)cc1 16204691 HUTIPYYZXYHIDC-ZDUSSCGKSA-N 385.414 3.562 0 40 GHAB CCOc1ccccc1C(=O)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101323098 VDUOPAHSIDLOEZ-IRXDYDNUSA-N 399.512 3.695 0 40 GHAB C[C@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)cc1 57383100 PHRVSYKQLFYBGW-HNNXBMFYSA-N 395.434 3.638 0 40 GHAB Cc1noc([C@@H](C)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)n1 26984163 VPXAZXCHBDZBKD-QGZVFWFLSA-N 377.492 3.873 0 40 GHAB CC(C)NC(=O)N[C@H]1C[C@@H](Cc2cc(CN(C)c3ccccc3)on2)C1(C)C 67890139 ZFZAWWASOIPLOL-UZLBHIALSA-N 384.524 3.976 0 40 GHAB biogenic,in-vitro NC(=O)c1ccccc1NC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 44681374 VLBOCNMDLYSQHK-NRFANRHFSA-N 384.439 3.732 0 40 GHAB CCc1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 113965623 WEZDGHXHGQTCPG-UHFFFAOYSA-N 378.469 3.573 0 40 GHAB Cc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 27587878 QEXJKESLCGZMFX-UHFFFAOYSA-N 386.517 3.741 0 40 GHAB CCOc1ccc([C@H]2CCCN2Cc2nc(N)nc(Nc3ccccc3)n2)cc1 58146028 BUYUICNPKBFGBR-LJQANCHMSA-N 390.491 3.933 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3ccccc3N3CCCC3)n2)cc1 10292026 XPJGSEZPIQFDMH-UHFFFAOYSA-N 392.459 3.917 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 10657310 OULAEBRSMCPCPI-UHFFFAOYSA-N 397.504 3.773 0 40 GHAB COC(=O)c1sc2nc(C)nc(S[C@@H](C)C(=O)NC3CCCC3)c2c1C 3302393 OYCNQHODMSMKQF-JTQLQIEISA-N 393.534 3.634 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)c3cc(C)c(C)cc3C)CC2=O)cc1 3370858 XDFPSNZHRKMVDA-IBGZPJMESA-N 393.483 3.953 0 40 GHAB Cc1ccc(C(C)C)cc1OCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 10966139 LNCKKMKTKGFLRZ-INIZCTEOSA-N 389.517 3.778 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CCc1cccs1 12700672 RDPDSBSUQCTWFR-UHFFFAOYSA-N 381.295 3.507 0 40 GHAB CC[C@H](C)NC(=O)c1c(N)n(-c2ccccc2F)c2nc3ccccc3nc12 2403650 MRQQFVNCPQVQRR-LBPRGKRZSA-N 377.423 3.823 0 40 GHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1=Cc2ccccc2OC1 8156418 QLPIMKOTOLGLJF-UHFFFAOYSA-N 393.468 3.547 0 40 GHAB COc1ccc(CN(C)[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1F 12923868 UABHTEZXIDUIFU-FQEVSTJZSA-N 383.423 3.943 0 40 GHAB Cc1cc(C)c(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(C)c1 16780693 LKKQSVKNESHTPU-UHFFFAOYSA-N 378.925 3.776 0 40 GHAB CC(C)(C)C(=O)CNC(=O)c1ccccc1SCC(=O)Nc1ccccc1 12902358 MHAMMZIUMQCNDN-UHFFFAOYSA-N 384.501 3.762 0 40 GHAB COc1cccc(-c2nnn(Cc3ccc(C(=O)Nc4ccccc4)cc3)n2)c1 8988463 RGVSIBSHDAFGQX-UHFFFAOYSA-N 385.427 3.649 0 40 GHAB CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@H]1Cc1ccccc1 3653001 YYWUABJYAOCACI-OAQYLSRUSA-N 381.435 3.755 0 40 GHAB biogenic COc1ccc(CN(C)CC(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1F 8309163 DAPIIMJIEOJJQR-UHFFFAOYSA-N 383.423 3.868 0 40 GHAB C[C@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)NC1CCCCC1 4285873 DKDOUNBAJBKJGN-NSHDSACASA-N 391.562 3.793 0 40 GHAB C[C@@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)C(=O)O 5151724 FCINBALSWFRUGZ-LLVKDONJSA-N 386.498 3.560 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN1C(=O)c1cccs1 5292937 PNVGDGLZTXDULY-ZDUSSCGKSA-N 384.379 3.890 0 40 GHAB CCCc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)cc1 14083939 VWZNTYGJZQTVHT-XMMPIXPASA-N 390.483 3.996 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc2c(c1)OCCCO2 14122021 PSMXESHMAUHCJJ-UHFFFAOYSA-N 397.427 3.611 0 40 GHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 5527789 HOKKWCISZYNDEX-JTQLQIEISA-N 378.881 3.785 0 40 GHAB O=C(Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 5635968 FAACOQAZTVVFBW-UHFFFAOYSA-N 392.908 3.696 0 40 GHAB C[S@@](=O)Cc1cccc(C(=O)N2CCc3cc(Br)ccc32)c1 66338467 QUZYCQGQPIIMEE-QFIPXVFZSA-N 378.291 3.531 0 40 GHAB COCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(C)cc1 6753209 ZJQWEISDWAMTOT-OAQYLSRUSA-N 377.444 3.591 0 40 GHAB C[C@H](NC(=O)c1nc(N2CCCCC2)ncc1Br)c1ccccc1 15083967 OBKTVIJOSPGXHS-ZDUSSCGKSA-N 389.297 3.720 0 40 GHAB Cc1cc(N2CCN([C@H](C)C(=O)c3c[nH]c4ccccc34)CC2)nc(C(C)C)n1 15032929 IAERHULCEOJOAP-QGZVFWFLSA-N 391.519 3.783 0 40 GHAB Cc1ccc(C)c(C(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)c1 67206984 NSIGDCTZXGKZBK-UHFFFAOYSA-N 392.846 3.711 0 40 GHAB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2cccs2)CCO1 96117909 OTUPUQZPPFEBOK-QMTHXVAHSA-N 379.507 3.555 0 40 GHAB COc1ccc(OC)c2[nH]c(C(=O)N3CCc4c([nH]c5ccccc45)C3)cc12 96115264 HMCABWVUJLQWLT-UHFFFAOYSA-N 375.428 3.865 0 40 GHAB biogenic Cc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)c3ccccc3n2)c(C)c1 9377075 WMXFWIIGIIDFJU-UHFFFAOYSA-N 387.483 3.856 0 40 GHAB Cc1ccn2cc(C(=O)Nc3sc(-c4ccccc4)cc3C(N)=O)nc2c1 60950876 NRZNAYQJSHTNSG-UHFFFAOYSA-N 376.441 3.722 0 40 GHAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 118933580 UCCSDQHGWDGDPS-WUHUDHMTSA-N 378.553 3.786 0 40 GHAB CC(=O)N(c1nnc(S[C@H](C)C(=O)c2ccc(F)cc2F)s1)C1CC1 66779689 NRHKSEPNBXGTSW-MRVPVSSYSA-N 383.445 3.695 0 40 GHAB Cc1cnc(O)n1-c1cccc(-c2noc(-c3cc4ccccc4nc3O)n2)c1 545659730 YTJBMVUCSKHWAT-UHFFFAOYSA-N 385.383 3.857 0 40 GHAB Cc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(CC4CCC4)nc23)s1 306131306 KAXKRKZSVRJZRD-UHFFFAOYSA-N 398.576 3.673 0 40 GHAB O=C(COc1ccc(F)cc1)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F 409346772 PNAQCDSRVKNNJS-KRWDZBQOSA-N 388.361 3.624 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O)Nc1ccccc1Cl 409246728 ASKITMBUBYQMRU-OQLLNIDSSA-N 388.832 3.721 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)NCc3ccc(OC(C)C)cc3)CC2=O)cc1C 408708168 OLJWCDAAEDRPHD-LJQANCHMSA-N 380.488 3.760 0 40 GHAB NC(=O)c1cn(CC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c2ccccc12 516695087 UROGDMHALLIPBA-FXAWDEMLSA-N 375.472 3.583 0 40 GHAB COc1ccc([C@H](CNC(=O)[C@@]2(C)CCCN2)c2c[nH]c3ccccc23)cc1 519652222 JZGXOXYMUJPYPH-WMZHIEFXSA-N 377.488 3.567 0 40 GHAB COc1ccc(CCCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 39748566 NFXPAOOXQSNHIE-UHFFFAOYSA-N 380.532 3.965 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(C)s3)ccc21 35588150 AZYSBKXPLSEMPA-UHFFFAOYSA-N 378.563 3.740 0 40 GHAB O=C(NCc1ccco1)C1CN(c2nc3c(C(F)(F)F)cccc3s2)C1 77191776 MWHNVXFJDQJXLG-UHFFFAOYSA-N 381.379 3.661 0 40 GHAB Cc1cc(S(=O)(=O)NC[C@@H](O)c2sccc2C)c(Cl)cc1Cl 70635773 AQLJYAQIEIWSPA-GFCCVEGCSA-N 380.318 3.684 0 40 GHAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)cc1Cl 8275804 RHTMXYJFXHZFLJ-ZHACJKMWSA-N 378.881 3.519 0 40 GHAB Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc(Br)cc1 218818004 LMRJGFBHBBLMCR-AWEZNQCLSA-N 378.266 3.720 0 40 GHAB Cc1nc([C@@H]2CCCN(C(=O)c3cc(-c4ccc5ccccc5c4)[nH]n3)C2)n[nH]1 564867111 FIIVXUDNNFUQBB-GOSISDBHSA-N 386.459 3.676 0 40 GHAB Cc1cccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)c1 62007367 NTLIXPMQTLYYNG-UHFFFAOYSA-N 389.430 3.938 0 40 GHAB CCn1cc(-c2nc(-c3ccc(OC)cc3OC)no2)c(=O)c2ccccc21 64960886 NQQXLPJDLOLOPH-UHFFFAOYSA-N 377.400 3.756 0 40 GHAB COC(=O)c1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2n1 65033037 GUGCVROOXXLIPP-UHFFFAOYSA-N 388.782 3.831 0 40 GHAB O=C(c1cscn1)N1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 72362641 MBHBZGBJEONJHC-CYBMUJFWSA-N 384.436 3.884 0 40 GHAB COCCn1c(C(=O)NCCc2c[nH]c3ccc(OC)cc23)cc2ccccc21 85876508 DKNDVEAVFHIHOM-UHFFFAOYSA-N 391.471 3.750 0 40 GHAB biogenic COc1cc(CNC(=O)CCNC(=O)OC(C)(C)C)ccc1OCCC(C)C 40108203 LJOSEAJSPSHPPY-UHFFFAOYSA-N 394.512 3.651 0 40 GHAB COc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2cccc3c2CCCC3)CC1 225824895 CENBPNSPVRORIW-GOSISDBHSA-N 394.515 3.690 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 223667501 GPFIHGHJBLHEIA-IBGZPJMESA-N 382.504 3.544 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225111841 LUKQDKADHJKBHE-HNNXBMFYSA-N 386.473 3.888 0 40 GHAB Cc1cc(N2CCc3ccccc3C2)nc(NC(=S)NCc2ccc(C)o2)n1 225916172 XRCUMHWBZDMHKQ-UHFFFAOYSA-N 393.516 3.736 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 222385949 CNZNXCWIXRRZSR-SFHVURJKSA-N 396.531 3.835 0 40 GHAB COc1ccc(/C=C/C(=O)NC[C@H](OC)c2ccc(Cl)s2)cc1OC 225703037 WWTMYGDXLQRTIX-BOSPYUDASA-N 381.881 3.936 0 40 GHAB Cc1ccc(C(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224048390 NHASLGATNBMMMB-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 224614847 FIAPEZAUKYZBGM-QFIPXVFZSA-N 382.504 3.765 0 40 GHAB COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1c(O)ccc2nsnc12 96231793 BXYANORKNZCTEZ-LLVKDONJSA-N 398.362 3.991 0 40 GHAB FC(F)(F)c1cccc(O[C@H]2COCCN(c3nc4ccccc4s3)C2)n1 96113230 DNQMNXSRZIYNCL-GFCCVEGCSA-N 395.406 3.994 0 40 GHAB biogenic,in-vitro NC(=O)N1CCC[C@H]1C(=O)Nc1ccc2oc(SCc3ccccc3)nc2c1 585138306 CVOVIJFVDAGJDG-INIZCTEOSA-N 396.472 3.602 0 40 GHAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cncc(C)c3)CCO2)n1 257202179 AKTWLPAEFNGXTI-FQEVSTJZSA-N 392.459 3.525 0 40 GHAB O=C(Cc1cnc(-c2ccc(F)cc2)s1)NC[C@@H]1CCCN2CCCC[C@@H]12 43746944 FVRBDNNBYUJKHE-LPHOPBHVSA-N 387.524 3.872 0 40 GHAB biogenic CCOC(=O)c1cc(CC)sc1NC(=O)CSc1nnc(C(C)(C)C)o1 42568797 FGTAJRWSTYIRLU-UHFFFAOYSA-N 397.522 3.899 0 40 GHAB CCc1nc(S(=O)(=O)Nc2ccc(-c3coc(C)n3)cc2)cn1CC1CC1 585097848 ABYHFLMAOBZWAA-UHFFFAOYSA-N 386.477 3.620 0 40 GHAB COC(=O)[C@@H](OC(=O)c1ccc2nc(N)sc2c1)c1ccccc1Cl 54373563 YUVBXRYASWJPSF-AWEZNQCLSA-N 376.821 3.603 0 40 GHAB COc1c(C)cnc(CN(C)S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1C 58506912 NAKZDVSGEPCEBU-UHFFFAOYSA-N 376.522 3.761 0 40 GHAB C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2nccc3ccsc23)C1=O 952994742 JWIGZCOJLKHHLH-DYVFJYSZSA-N 397.475 3.917 0 40 GHAB CCc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(C(=O)OC)=C2C)cc1 8085637 AJGKESPEJZEMHL-WQRHYEAKSA-N 391.423 3.855 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Cl)c(Cl)c1 5215184 LSWJRNULKWBRMD-UHFFFAOYSA-N 380.256 3.961 0 40 GHAB CCOc1ccc(-c2cc(C(=O)Nc3cc4c(cc3C)OCCO4)[nH]n2)cc1 12147255 GICFPOBAAZAXNH-UHFFFAOYSA-N 379.416 3.807 0 40 GHAB Cn1ncc2c1CCc1sc(NC(=O)CCCOc3ccccc3F)nc1-2 12327409 ZSLPDRQIQGVQDN-UHFFFAOYSA-N 386.452 3.579 0 40 GHAB OCC1CCC2(CC1)CN(Cc1ccc3c(c1)OCO3)Cc1ccccc1O2 12408065 CNZSGEPOYRCFTF-UHFFFAOYSA-N 381.472 3.731 0 40 GHAB Nc1cc(=O)[nH]c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 12785503 ALRYZNSXJOHDCU-LJQANCHMSA-N 376.441 3.550 0 40 GHAB O=C(CNc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)NC1CC1 12985601 NTLCEPWOMXVARH-UHFFFAOYSA-N 378.259 3.936 0 40 GHAB COc1cccc(-c2cc(C(=O)N3CCCC[C@@H]3CCN3CCCC3)[nH]n2)c1 19566575 RCWMXLRHWCWDMK-GOSISDBHSA-N 382.508 3.566 0 40 GHAB CN(Cc1nc(N2CCCC2)ncc1-c1ccncc1)C(=O)C1CCCCC1 19586336 CXZQERRYXNEPPQ-UHFFFAOYSA-N 379.508 3.678 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937733 IVLNZIKTWFQDCI-ZDUSSCGKSA-N 397.862 3.519 0 40 GHAB Cc1cc2c(CN3CCC[C@H](C)C3)c(C(F)(F)F)nc-2n(CC(=O)N(C)C)c1 12163268 SSFMACOFUCZRDE-ZDUSSCGKSA-N 396.457 3.635 0 40 GHAB O=C(Cc1csc(-c2ccsc2)n1)N1CCC[C@H]1c1nnc2ccccn12 31505406 XTDAGNXBMYTJAL-HNNXBMFYSA-N 395.513 3.821 0 40 GHAB Cc1ccc(-n2c(SCC(=O)Nc3nnc(C)o3)nc3ccccc32)cc1 31841160 GCHYTQWOZUVANO-UHFFFAOYSA-N 379.445 3.756 0 40 GHAB CC(C)CN1C(=O)C2(CCN(C3CCOCC3)CC2)C[C@@H]1Cc1ccccc1 2037846162 SDOXUHJGINLMDJ-QFIPXVFZSA-N 384.564 3.747 0 40 GHAB CC1CCC(C(=O)N2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)CC1 1565542388 UJXKGXXNRZROEA-ZVEIZMFXSA-N 386.536 3.822 0 40 GHAB COc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1OC 4033076 WZODCCQVLACHNA-UHFFFAOYSA-N 388.427 3.974 0 40 GHAB Cc1cccc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)c1C 4327624 IIKQXAWIALOZDO-UHFFFAOYSA-N 390.472 3.534 0 40 GHAB Cc1ccc(-n2nnc3c(=O)n(Cc4cccc(C(F)(F)F)c4)cnc32)cc1C 5057179 YZZJQPGGSDJDCS-UHFFFAOYSA-N 399.376 3.661 0 40 GHAB COc1ccc(C(=O)N2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1 5181228 QNWOSTDQMCAYNY-UHFFFAOYSA-N 387.892 3.921 0 40 GHAB CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 9168704 ZZQKGIWYMSLMMA-UHFFFAOYSA-N 388.489 3.797 0 40 GHAB CCn1nc(C(=O)Nc2cc(C)nn2-c2nc3ccc(OC)cc3s2)cc1C 16851131 DVPQTFZTVGEJHJ-UHFFFAOYSA-N 396.476 3.576 0 40 GHAB CCCC(=O)N(CCCN1CCOCC1)c1nc2ccc(CC)cc2s1 22997604 VWPDEQOHMGHYBU-UHFFFAOYSA-N 375.538 3.714 0 40 GHAB O=C(Cc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1775974352 YIOXVPLLYGTIIT-HOTGVXAUSA-N 392.272 3.722 0 40 GHAB O=C(CCc1ccccc1)NC[C@@H](c1cccc2ccccc12)N1CCOCC1 23106435 ZMZHGQSHTSPHBN-DEOSSOPVSA-N 388.511 3.962 0 40 GHAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccccc1C(F)(F)F 36699881 STTOVDSZEULZBT-GOSISDBHSA-N 378.394 3.509 0 40 GHAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(Cc3ccco3)[C@@H]21 2105473 DKIYHSXYZRYVQM-HXUWFJFHSA-N 390.395 3.612 0 40 GHAB biogenic Cc1ccccc1-c1nnc(S[C@@H](C)c2nnnn2-c2ccccc2)n1C 40127485 JSYDCEPUNHZKBX-AWEZNQCLSA-N 377.477 3.620 0 40 GHAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 40142036 URJGMIHUSFTFJN-AWEZNQCLSA-N 379.485 3.603 0 40 GHAB Cc1cccc([C@H](CNC(=O)[C@H](C)SCc2ccccc2)N2CCOCC2)c1 40142099 PUEQCTSQXLQKCN-UGKGYDQZSA-N 398.572 3.806 0 40 GHAB CCOCCCNC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 17400854 QUWBLDJRXOMGGK-UHFFFAOYSA-N 395.455 3.837 0 40 GHAB Cc1nc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)n(CC(C)C)c1C 8136211 JMNPTFJQAFWKGI-OAHLLOKOSA-N 389.521 3.682 0 40 GHAB Cc1cccc(C)c1NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1C 878176 GIPQJHMSTADVLR-UHFFFAOYSA-N 399.495 3.914 0 40 GHAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1Cl 934333 XYJNDRKYCGYLCB-QGZVFWFLSA-N 391.254 3.989 0 40 GHAB biogenic Cc1ccc2c(c1)c1nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)nc1n2C 1366116 XTWIQHBQDBHINP-UKRRQHHQSA-N 383.521 3.612 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 32678955 OWLMGFBTWTUMQN-OAHLLOKOSA-N 391.471 3.810 0 40 GHAB O=C(Nc1ccc(OC[C@H](O)Cn2cnc3ccccc32)cc1)c1ccccc1 4933067 VORGCTCTAAVHMN-LJQANCHMSA-N 387.439 3.729 0 40 GHAB CCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 6029726 DELXHNVWYKOQGU-UHFFFAOYSA-N 387.896 3.601 0 40 GHAB Cc1cnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)s1 6223586 UOYAQAVSYTUDFT-UHFFFAOYSA-N 399.925 3.532 0 40 GHAB COc1cccc(NC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)c1 6660000 VLHIJHSARPSERJ-UHFFFAOYSA-N 391.471 3.850 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 6945143 DHGPDXORASCBDS-OAHLLOKOSA-N 394.924 3.840 0 40 GHAB COc1c(C)cccc1C(=O)Nc1ccc(I)c(C)n1 6968532 ZOIJQWUOIYQBIG-UHFFFAOYSA-N 382.201 3.564 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1 7218861 FUUQBBNMOJDOTB-UHFFFAOYSA-N 388.876 3.752 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)cc1 7235948 JKLVVFGTVBVQLB-UHFFFAOYSA-N 386.452 3.751 0 40 GHAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 7504829 LYSZXCHXXQNXIM-UHFFFAOYSA-N 376.909 3.699 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(F)cc2Cl)c(OC)c1 7506294 UVOAJXOPHFUKDO-XBXARRHUSA-N 393.798 3.691 0 40 GHAB COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 7564645 OMHNOUHTJIMBFP-NSHDSACASA-N 386.498 3.590 0 40 GHAB COC(=O)c1c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)sc2c1CCC2 7813691 VOKDSONRJQFEKW-ZDUSSCGKSA-N 377.849 3.619 0 40 GHAB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1sc(C(C)C)cc1C(N)=O)[C@H]2C(=O)O 102336118 CMENHWNZDUNOFG-XYPYXGAPSA-N 390.505 3.602 0 40 GHAB Cc1c([C@@H](C)NS(=O)(=O)/C=C/c2ccccc2)cnn1-c1ccc(F)cc1 32808809 RHCLNIUDEVYVMF-RDRICISKSA-N 385.464 3.971 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)c1C 21675677 MUHVBXZMXJVXIA-BLLLJJGKSA-N 382.460 3.747 0 40 GHAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2nc1O)N1CCCC1 8674179 YTYCIFFWHVOSCH-IBGZPJMESA-N 394.523 3.874 0 40 GHAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 8704829 AEHOVQHPGVAXBP-UHFFFAOYSA-N 396.472 3.570 0 40 GHAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccnn2Cc2ccco2)cc1 32988097 TZLBWCLQXQKPPR-UHFFFAOYSA-N 392.415 3.961 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)CCn2ccc3ccccc32)CC1 32905011 VBBSXHVCLWJLBE-UHFFFAOYSA-N 376.504 3.812 0 40 GHAB O=C(Nc1ccccc1OC1CCCC1)c1cccc(N2C(=O)CCC2=O)c1 46666325 YECYJERADXJOCS-UHFFFAOYSA-N 378.428 3.914 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1c1nncs1 2704363 RFMJBUSRPBBTFM-OAHLLOKOSA-N 379.372 3.533 0 40 GHAB NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cc1 103061659 JZEDYDZUMBDSSK-UHFFFAOYSA-N 388.395 3.532 0 40 GHAB CCN(Cc1ccc(OC)c(F)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 22373752 KBIUQDSGYOJUCN-UHFFFAOYSA-N 375.831 3.746 0 40 GHAB CC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)n1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)n1 104069115 BANKRJPHTSEQJT-KVIJGQROSA-N 388.556 3.838 0 40 GHAB O=C1Nc2ccccc2[C@H]1CCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 20718478 XJVRYRINFSRRGY-OAHLLOKOSA-N 377.419 3.708 0 40 GHAB COc1ccc(Cc2nnc(NC(=O)[C@@H](C)Oc3ccccc3)s2)cc1OC 804740 IKIXDPMCBXQJTQ-CYBMUJFWSA-N 399.472 3.552 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)C1 100117187 RDEPUWQJWMJRGU-SCRLKALGSA-N 395.547 3.869 0 40 GHAB COc1ccc(-c2nn3c(O)cc([C@H](C)Cn4nccc4C)nc3c2C)cc1 100775723 UQWSTZOKYOJNEX-CYBMUJFWSA-N 377.448 3.728 0 40 GHAB CC(=O)NCc1ccc(C(=O)CSc2nccn2Cc2ccccc2)cc1 26043040 DDIOGDXLHKLKPC-UHFFFAOYSA-N 379.485 3.543 0 40 GHAB CN(c1ccsc1C(=O)NCc1ccccc1)S(=O)(=O)c1ccccc1 44170324 LFRUOXMFSYNGIM-UHFFFAOYSA-N 386.498 3.503 0 40 GHAB CCCN(CC)c1ccc(C(=O)NCCc2cc(F)cc3c2OCOC3)cc1 58018835 FQAFNOJRFPTDGT-UHFFFAOYSA-N 386.467 3.901 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12607889 YUBVKRLINGQMQS-KRWDZBQOSA-N 388.870 3.690 0 40 GHAB Cc1ccc(-c2cnn([C@H](C)C(=O)Nc3c(C)cccc3Cl)c(=O)n2)cc1 44804048 BARKHCXKOOBUHZ-CQSZACIVSA-N 382.851 3.775 0 40 GHAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Sc3ccc(C)cc3)n2)cc1 12654837 MFUWEHKCDGASCW-AWEZNQCLSA-N 383.473 3.851 0 40 GHAB COc1cc2c(cc1OC)-c1cc(Nc3cc(C)cc(C)c3)nc(=O)n1CC2 2108750 YJHPYCUEESUTHM-UHFFFAOYSA-N 377.444 3.844 0 40 GHAB biogenic Cc1ccc(-c2cnc(CCC(=O)NCc3ccc4c(c3)OCO4)o2)cc1C 12617310 YPKZEKLPSNPCQV-UHFFFAOYSA-N 378.428 3.936 0 40 GHAB COCc1nnc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)s1 36360273 VJHDDFPTWUBCQV-UHFFFAOYSA-N 378.457 3.940 0 40 GHAB Cc1ccc(C(C)C)cc1OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 10774481 CIFDHPOHDJJOMH-UHFFFAOYSA-N 394.515 3.918 0 40 GHAB CCOC(=O)CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 2372152 DOJWORBGEBUQBN-UHFFFAOYSA-N 378.457 3.683 0 40 GHAB CC(C)[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1nc2ccccc2[nH]1 12789038 FKLYNGHWOJHYOJ-QFIPXVFZSA-N 390.487 3.746 0 40 GHAB Cc1ccccc1C(=O)NCCCN(Cc1cccnc1)C(=O)OC(C)(C)C 48375321 CHVQLXGUGHZAGW-UHFFFAOYSA-N 383.492 3.947 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1OC 12866109 XOUCSHVISXRAQY-KRWDZBQOSA-N 375.490 3.846 0 40 GHAB CCN(C(=O)[C@H](C)Sc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 12811367 VBSOECSYJSPXBI-WDEREUQCSA-N 396.361 3.510 0 40 GHAB O=C(CNC(=O)c1ccc(OC(F)F)cc1)Nc1cc(Cl)ccc1Cl 3428141 LETMIPYWJIKCJB-UHFFFAOYSA-N 389.185 3.963 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccs2)o1 3475184 OSNDQMJWTOHUTG-UHFFFAOYSA-N 389.458 3.706 0 40 GHAB Cn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 3485681 KFWLQMYENWFYEZ-UHFFFAOYSA-N 390.871 3.683 0 40 GHAB CCOc1ccccc1OCCCC(=O)N(C)CC(=O)Nc1cc(C)ccc1C 3555368 PSLRMWGXFVBWIU-UHFFFAOYSA-N 398.503 3.958 0 40 GHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCc4ccccc43)o2)cc1 3544857 XTXIGBQPRDDTJJ-CYBMUJFWSA-N 381.457 3.815 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccccc2F)c(OC)c1 12987178 VBCJVHLLXMZRFK-FQEVSTJZSA-N 386.467 3.638 0 40 GHAB CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CC(=O)OC(C)C)C1=O 17150271 GWMCZHDQWHUGKZ-ZSOIEALJSA-N 383.853 3.727 0 40 GHAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)c1cc3ccccc3o1)C2=O 8503547 ZVGPRKHSPLMGTC-LJHBPXGCSA-N 397.475 3.501 0 40 GHAB CC(C)Oc1ncc(C(=O)NC(C)(C)c2noc(C(C)(C)C)n2)cc1Cl 69947105 YXABKPQSXPAYFC-UHFFFAOYSA-N 380.876 3.868 0 40 GHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)NCCCSc1ccccc1 14200278 XDJAVCAWHTYCKP-UHFFFAOYSA-N 390.559 3.968 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CN(C)[C@@H]2CCCc3ccccc32)c(C)c1 18935210 GAKFBLCCXGCIII-OAQYLSRUSA-N 393.531 3.676 0 40 GHAB CCN(CC)C(=O)CN1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 4734650 NMTSHLVSQYPYIG-QFIPXVFZSA-N 375.472 3.592 0 40 GHAB CC[C@@H](C)c1ccc(C(=O)COC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 5621798 UZKYSAYOIGBMCZ-OAHLLOKOSA-N 388.485 3.784 0 40 GHAB O=C(CSc1nncn1-c1ccccc1F)N[C@@H]1CCCc2ccccc21 4890424 GDLYDIXESNJSSG-QGZVFWFLSA-N 382.464 3.692 0 40 GHAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 20037300 ZFTZXAGLTFHGGN-LJQANCHMSA-N 390.505 3.584 0 40 GHAB Cc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(C(C)C)cc3)CC2)cc1 66677303 DMLPPXFBFFAMCL-UHFFFAOYSA-N 394.515 3.918 0 40 GHAB COc1ccc(-c2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)n2C)cc1 5849926 QIBHFIVQGZBCCY-LBPRGKRZSA-N 393.472 3.581 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1 7050250 FKKGDSCLJNDTJE-CYBMUJFWSA-N 395.406 3.931 0 40 GHAB C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)NCc1cccs1 7207876 OJPFGMGIZQTJRX-LLVKDONJSA-N 378.910 3.779 0 40 GHAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCOc2ccccc21 19352319 MBVNKYDYZFHZRB-OAHLLOKOSA-N 380.227 3.790 0 40 GHAB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nccs1 408736275 ADMRXQWDWVDXBR-MRXNPFEDSA-N 386.477 3.556 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(CCCOc2ccccc2)CC1 9076813 YPCODAXEZOKMEK-UHFFFAOYSA-N 382.460 3.535 0 40 GHAB CCCn1c(NC(=O)CCNC(=O)c2ccccc2Cl)nc2ccccc21 7796449 XQHHTVKRVVIORG-UHFFFAOYSA-N 384.867 3.858 0 40 GHAB COc1ccccc1Oc1ccc(NC(=O)Cc2ccccc2C(=O)O)cn1 71288836 GMCSRGDJDOMTIM-UHFFFAOYSA-N 378.384 3.762 0 40 GHAB COc1ccc(CN(C)CC(=O)NCc2ccc(Cl)cc2Cl)cc1OC 16590847 OQUGBOPYGUDHEW-UHFFFAOYSA-N 397.302 3.759 0 40 GHAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCc2ccccc21 9320864 AUYLUJOJHNLGJY-UHFFFAOYSA-N 387.482 3.829 0 40 GHAB O=C(CCc1nc2ccccc2s1)Nc1cccc(-c2nnnn2C2CC2)c1 9709768 LDGLWSDGNXQLDF-UHFFFAOYSA-N 390.472 3.856 0 40 GHAB COc1c(C)cnc(CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)c1C 71907304 WSAHUYAFPMVZDT-QHCPKHFHSA-N 389.455 3.827 0 40 GHAB COc1cc(OC)c(NC(=O)COC(=O)c2cccc(Cl)c2)cc1Cl 9683526 ZCXJMHLLFXASLE-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408649902 LTSXCSVTDFHRQK-GOEBONIOSA-N 385.847 3.816 0 40 GHAB O=S(=O)(Nc1cccc2nc[nH]c12)c1ccc(Br)cc1Cl 72301880 YWOMTYGIHIIPDY-UHFFFAOYSA-N 386.658 3.780 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)N[C@@H]1CCCC[C@H]1C(F)(F)F 84504849 ZDTQFYDTMJXLGQ-IAGOWNOFSA-N 380.414 3.852 0 40 GHAB Cc1ccc(CC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 95482312 DWRDWOLXSPHWRY-UHFFFAOYSA-N 386.249 3.666 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(C(C)(C)C(=O)O)cc3)cc2NC1=O 95970786 XUSUPNIEENXOQK-NSHDSACASA-N 384.457 3.734 0 40 GHAB CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N1CCC(C2(C)OCCO2)CC1 95966402 FMOBZWYGWDMLGM-UHFFFAOYSA-N 397.519 3.785 0 40 GHAB O=C(NCc1cc(Br)c[nH]1)c1cc(-c2ccc(Cl)cc2)n[nH]1 78964262 BTCUGSQMCUNVIR-UHFFFAOYSA-N 379.645 3.751 0 40 GHAB COc1cc([C@H]2SCC(O)=Nc3c2c(C)nn3-c2ccccn2)ccc1O 79493075 MPVQARHRFBATII-GOSISDBHSA-N 382.445 3.714 0 40 GHAB Cc1cc2nnc(SC[C@@H]3CO[C@@H](c4ccc(Cl)cc4)O3)n2c(C)n1 89610805 YPGIOYOGGRIBIQ-GOEBONIOSA-N 376.869 3.601 0 40 GHAB COCCOc1cccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)c1 89694303 KYLVTBGYFNQYDA-IBGZPJMESA-N 385.460 3.525 0 40 GHAB O=C1C[C@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)N2NC=NC2=N1 409377480 IQVIQRGABAQRQX-OAHLLOKOSA-N 389.242 3.748 0 40 GHAB Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1C 409262752 JTUAMPGETONIPL-UHFFFAOYSA-N 388.533 3.952 0 40 GHAB CCOc1cc(C(=S)N2CCN(C)CC2)ccc1OCc1ccc(F)cc1 408571684 CKKRJROIVMURNA-UHFFFAOYSA-N 388.508 3.726 0 40 GHAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCCCCOc1ccc(F)cc1 23133689 WHFLUNDBLGZREH-SFHVURJKSA-N 392.496 3.617 0 40 GHAB CCN(CC)CCCNC(=O)c1nc(-c2ccn(C(C)C)c2)n2ccccc12 306136172 PLMBZZUYGDZJLD-UHFFFAOYSA-N 381.524 3.845 0 40 GHAB O=C(C1CC=CC1)N1Cc2ccccc2[C@H](c2nccn2Cc2cccnc2)C1 306126909 FIPBTRQPTOZHOU-JOCHJYFZSA-N 384.483 3.767 0 40 GHAB O=C(c1ccc(F)c(F)c1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 70637094 CKDOMNVBDTYXAL-UHFFFAOYSA-N 375.762 3.908 0 40 GHAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)n2)cc1 219304035 IQXVDCORTNFIQS-INIZCTEOSA-N 395.459 3.754 0 40 GHAB CCSc1nnc(NC(=O)C2CCN(Cc3ccccc3F)CC2)s1 223446550 MTFGJEWUCZZUTI-UHFFFAOYSA-N 380.514 3.640 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(C)cc1C 225590324 PESVDZFEPPHVOE-IBGZPJMESA-N 375.490 3.828 0 40 GHAB COc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2)cc1OC 45382768 CKCHTNRHKIMVPA-GFCCVEGCSA-N 394.265 3.723 0 40 GHAB COc1cc(CNC(=O)CCc2ccc3c(c2)OCCO3)ccc1OC(C)C 222641758 JJHRZBFRJKQXGU-UHFFFAOYSA-N 385.460 3.503 0 40 GHAB Cc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1N1CCCC1=O 44855148 UADUNMJCBGKXNJ-UHFFFAOYSA-N 388.471 3.927 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 222412352 DEPZDKZOCINUTI-OAQYLSRUSA-N 382.504 3.706 0 40 GHAB CC[C@H](NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1)c1c(C)noc1C 527830540 HAZSOROUQQTDDZ-KRWDZBQOSA-N 381.480 3.756 0 40 GHAB CCOC1(C(=O)Nc2ccc(OCC(=O)N3CCCC3)cc2)CCCCCC1 225710995 MBCGUSTYOVIHEX-UHFFFAOYSA-N 388.508 3.756 0 40 GHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 225750288 SQSROBXRLOLVRB-AVRDEDQJSA-N 396.531 3.960 0 40 GHAB Cc1ccsc1C(=O)N1C[C@@H](C(=O)Nc2ccccc2)C2(CCOCC2)C1 96078695 AEDYMHILGNJDJI-KRWDZBQOSA-N 384.501 3.564 0 40 GHAB COc1cc(Cc2noc([C@@H]3[C@@H](C)[C@@H]3c3ccccc3)n2)ccc1S(C)(=O)=O 583228938 GHHPXPLHRMSINC-CJMONDIMSA-N 398.484 3.590 0 40 GHAB COc1ccc(CCc2nnc(NC(=O)[C@@H]3[C@H]4CCCC[C@H]43)s2)cc1OC 247904599 HEDRVXVCBBQWQG-UOIKSKOESA-N 387.505 3.715 0 40 GHAB Cc1cccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 244095555 UGEVQOSZORSXME-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cccc(O)n2)o1 257340199 ZFANJOBLJMNJBP-GOSISDBHSA-N 393.443 3.742 0 40 GHAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2Cc2ccccn2)c1 257339719 ZCWZSAMSTGIWNO-FUDKSRODSA-N 379.504 3.855 0 40 GHAB COCc1cc(Cl)ccc1NC(=O)N(C)[C@@H]1CCC[C@@H]1N1CC[C@H](OC)C1 626593038 GARHSUZYLRSNCN-UHOSZYNNSA-N 395.931 3.592 0 40 GHAB CC(C)Oc1ccc(CNC(=O)N2C[C@H](C)[C@](C)(CO)C2)c(C(F)(F)F)c1 663932038 RWLZMKKRUZEYTK-UGSOOPFHSA-N 388.430 3.653 0 40 GHAB O=C(Nc1ccc(Cl)c2ncccc12)N[C@H]1CCN(c2ccccc2)C1=O 598153215 ZXBWGQIKAUJXDU-KRWDZBQOSA-N 380.835 3.815 0 40 GHAB CC(C)c1nc(CC(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)no1 585091783 NDDQJTPORHEGGU-UHFFFAOYSA-N 393.443 3.663 0 40 GHAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(Br)s2)cc1 14220753 WKWYUZWHDRGMPT-VIFPVBQESA-N 376.297 3.559 0 40 GHAB Brc1csc(-c2noc(CN3CCO[C@@H]4CCCC[C@@H]43)n2)c1 56494641 ODRWKFSJIPFQOL-NWDGAFQWSA-N 384.299 3.704 0 40 GHAB COc1ccccc1N1CC[C@H](CNC(=O)CCc2c[nH]c3ccccc23)C1 58193262 QZRNLBIGZXUYEG-QGZVFWFLSA-N 377.488 3.752 0 40 GHAB Oc1cc(C2CCN(Cc3cc(F)ccc3F)CC2)nc(-c2ccccn2)n1 72392846 QTDLLAXLOGJUBJ-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCCc1ccccn1 12148125 YKABDTMLCQFRJD-UHFFFAOYSA-N 376.485 3.909 0 40 GHAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc(Cl)cc1 12329799 FDLIAMLIJIYFHF-RTBURBONSA-N 391.870 3.863 0 40 GHAB CC1CCN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13674479 RFRRPKBORHOIQB-UHFFFAOYSA-N 379.353 3.535 0 40 GHAB CCOc1ccccc1NC(=S)NCc1cc(OC)c(OC)c(OC)c1 18165666 HTLFGEIPSPUAFD-UHFFFAOYSA-N 376.478 3.598 0 40 GHAB CN(Cc1ccsc1)C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 18483692 YEJKQWIHNYKIJR-UHFFFAOYSA-N 382.485 3.924 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN2C(=O)c2ccc(N(C)C)cc2)n1 19286874 KUGNRWHAVRUXPA-OAQYLSRUSA-N 387.487 3.890 0 40 GHAB CN1CCN(C(=O)C2CCC2)C[C@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 19589506 YNJGDYRSWKXMCN-NRFANRHFSA-N 394.490 3.752 0 40 GHAB CC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)C1 19706790 NRYVOWQTUXYDPM-GOSISDBHSA-N 382.483 3.603 0 40 GHAB CC(C)c1csc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2)n1 19718218 HUSJUTIAQNKTGB-OAHLLOKOSA-N 396.516 3.778 0 40 GHAB O=C(NC[C@H]1CCCOC1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12337852 KMTCTLCEPWVQEE-LJQANCHMSA-N 394.515 3.631 0 40 GHAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1ccc(OC(F)(F)F)cc1 1429010 DOACYDVETYTQGR-UHFFFAOYSA-N 397.744 3.531 0 40 GHAB CC1(C)N=C(SCC(=O)Nc2ccc3c(c2)OCCO3)C(c2ccccc2)=N1 4892026 PKIHOSROTKQILS-UHFFFAOYSA-N 395.484 3.767 0 40 GHAB O=c1ccc(-c2ccccc2)nn1C1CCN(c2nc3cnccc3s2)CC1 1775970127 CIZHRPKLDCPGJY-UHFFFAOYSA-N 389.484 3.757 0 40 GHAB COc1ccccc1C1(C(=O)NC[C@@H](O)c2ccc(-c3ccco3)s2)CC1 1775967889 FTDJBARPVJQIIV-OAHLLOKOSA-N 383.469 3.898 0 40 GHAB Cc1nc(C(=O)N2CCC(COc3cc(-c4ccccc4)ncn3)CC2)cs1 1775970543 FIYHYPUUSBIEMX-UHFFFAOYSA-N 394.500 3.840 0 40 GHAB CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2c(C)ccc(OC)c21 100908837 UXNMZAFGFJBGGW-DQRAZIAOSA-N 394.452 3.887 0 40 GHAB COc1ccccc1S(=O)(=O)N1CCS[C@@H](c2ccccc2C)CC1 219302907 WMDSHGUCZCHVOE-GOSISDBHSA-N 377.531 3.873 0 40 GHAB O=C(COc1ccc2ccccc2c1)NCC1CCN([C@@H]2CCSC2)CC1 225570922 LTHNLIOLRLHTOD-HXUWFJFHSA-N 384.545 3.552 0 40 GHAB Cc1cc(C)n([C@@H](CNS(=O)(=O)/C=C/c2ccccc2)c2cccs2)n1 575610414 MHMWRSLIVDIIFI-KSEUIEODSA-N 387.530 3.741 0 40 GHAB Cc1cc(Cl)ccc1Nc1nc(N2C[C@H](C)O[C@H](C)C2)nc2nccnc12 13010879 QQNOWUFXWWCCPA-BETUJISGSA-N 384.871 3.739 0 40 GHAB COc1ccc([C@H](CNC(=O)c2c(-c3ccc(F)cc3)noc2C)N(C)C)cc1 28838668 XZQKQDLGKOYYNM-IBGZPJMESA-N 397.450 3.830 0 40 GHAB Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)cc1S(N)(=O)=O 40079605 ZTMFWMJEEJNCFP-UHFFFAOYSA-N 397.500 3.645 0 40 GHAB CCCN(Cc1ccccc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 40094958 GOFQFHLZPMHPJF-UHFFFAOYSA-N 378.476 3.929 0 40 GHAB CN(CCOc1ccccc1F)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 40104790 BNZQUYTWBVZLPW-UHFFFAOYSA-N 385.439 3.604 0 40 GHAB CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NC1CCCC1 40143357 UEGBHRFCDJGRKN-UHFFFAOYSA-N 391.265 3.991 0 40 GHAB CCOC(=O)c1oc2ccccc2c1COC(=O)[C@@H]1COc2ccccc2C1 8252855 IUUWJPBLQXYOJJ-HNNXBMFYSA-N 380.396 3.904 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)no3)C2)c1 1364487 GATZXEARUYQNDE-ZDUSSCGKSA-N 399.472 3.835 0 40 GHAB Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2F)n1Cc1ccccc1 32676119 JVQMILGHXSOVCW-CQSZACIVSA-N 384.480 3.743 0 40 GHAB CC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 2665193 YCXJDXSWDDIUPA-LLVKDONJSA-N 394.349 3.848 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CSCC(=O)N3CCCC3)n2)cc1C 4105537 QTAQWMSOKJCMOR-UHFFFAOYSA-N 389.546 3.721 0 40 GHAB Cc1nc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)nn1-c1ccc(F)cc1 32776661 NTBQCJCFFAODPM-IBGZPJMESA-N 396.422 3.525 0 40 GHAB CCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1-n1cccc1 4518531 SKGZCHJWNCWAOY-UHFFFAOYSA-N 375.885 3.728 0 40 GHAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CC[C@H](C)C2 4949759 DWAHSIIAJHFZFE-AWEZNQCLSA-N 398.528 3.906 0 40 GHAB CC(C)[C@@H](CC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 41111811 KBOLHSLGELTLBC-HXUWFJFHSA-N 386.517 3.995 0 40 GHAB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)c1ccccc1 7881601 LWYVXNKGCPNSOS-QAPCUYQASA-N 385.847 3.898 0 40 GHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 8041117 FNZKCSBADKLVOD-MSOLQXFVSA-N 396.487 3.618 0 40 GHAB Cc1nc2nc(O)c3c(n2n1)N=C1CC(C)(C)CC(O)=C1[C@H]3c1ccccc1 102404058 DQMIBJDNMXJXIA-OAHLLOKOSA-N 375.432 3.988 0 40 GHAB Cc1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10434177 KVMOXEPXINQWJX-CQSZACIVSA-N 380.897 3.750 0 40 GHAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@@H](C)C3)c2)CC1 10541754 GTFYUGLAMSRPIS-OAHLLOKOSA-N 398.956 3.633 0 40 GHAB CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2ccccc2c1=O 22056376 RBAXCFFSCJOAQE-GJZGRUSLSA-N 381.501 3.774 0 40 GHAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)ccc1Cl 20485479 YRMQQZHYDHQNID-GFCCVEGCSA-N 377.824 3.931 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 22783860 ORRRFOLYVSORIV-INIZCTEOSA-N 391.437 3.850 0 40 GHAB CCOC(=O)CSc1nnc(COc2ccc(C)cc2)n1Cc1ccccc1 876381 SSFMDYUQAOOQPU-UHFFFAOYSA-N 397.500 3.869 0 40 GHAB CC1CCC(N(C)C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)CC1 22981662 KUDFXSHHZUMKJV-UHFFFAOYSA-N 382.291 3.740 0 40 GHAB CCCCOc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1OC 23133054 SRTMNQYBIBHUTA-QGZVFWFLSA-N 376.522 3.968 0 40 GHAB COC(=O)c1c(N)oc2c(-c3ccc(C)cc3)c3c(C(=O)OC)c(N)oc3cc12 1071857 SYXVVCNKPGXHKS-UHFFFAOYSA-N 394.383 3.892 0 40 GHAB biogenic CC[C@H](C)NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 113965898 OUBAVTZEBPLIIA-KRWDZBQOSA-N 388.533 3.798 0 40 GHAB COCC(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2ccncc2)CC1 100738880 CFUNXYVXRSTKME-MAEOIBBWSA-N 382.508 3.698 0 40 GHAB C[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)C1 12557247 VUXMSPMSFOOOBM-VOGRQWBCSA-N 384.501 3.971 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1F)c1nccn1C 12550080 YPTTWNXNCWLZMD-FZKQIMNGSA-N 387.842 3.886 0 40 GHAB COc1ccc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccc(OC)cc2OC)C3)cc1 100766743 IEALMRCOFOJSRK-WOJBJXKFSA-N 397.515 3.832 0 40 GHAB CC[C@@H](CO)N(CCCO[C@H]1CCOC1)Cc1ccc(Cl)cc1Cl 106922351 JJASTCMBNUTBMJ-IRXDYDNUSA-N 376.324 3.762 0 40 GHAB Cc1ccc(NC(=O)NCc2ccc(Cl)cc2Cl)cc1-n1cnnn1 58894422 FCXXESUBZAGAIF-UHFFFAOYSA-N 377.235 3.599 0 40 GHAB CCN(C(=O)COC(=O)Cc1ccc(OC)cc1)c1cccc2ccccc12 3216388 CFAADJSESFXKTA-UHFFFAOYSA-N 377.440 3.987 0 40 GHAB CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 100831764 VNMRXZNXEDNUMN-HWLQVEPHSA-N 390.543 3.540 0 40 GHAB CCCCNC(=O)c1sc2nc3c(cc2c1NC(C)=O)COC(C)(C)C3 1819748 MEPHZVXPTZTZQG-UHFFFAOYSA-N 375.494 3.636 0 40 GHAB COc1cc2c(cc1OC)-c1cc(N[C@@H](C)c3ccccc3)nc(=O)n1CC2 2152518 HQEBDFUASOJPSD-AWEZNQCLSA-N 377.444 3.657 0 40 GHAB biogenic CCN(Cc1ccccc1)C(=O)CSc1nc2ccsc2c(=O)n1CC 27819352 GECJOGRVPFKFDQ-UHFFFAOYSA-N 387.530 3.619 0 40 GHAB COc1ccc(-c2nc(CCNC(=O)COc3ccc(C)cc3)cs2)cc1 27993682 FPYKDZVLUPCYRC-UHFFFAOYSA-N 382.485 3.865 0 40 GHAB COC[C@@H](C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2266271 RAPGVOYUGAJSFH-CYBMUJFWSA-N 382.464 3.864 0 40 GHAB COc1cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc(OC)c1 2224941 XQWGDJBOTUDSIE-UHFFFAOYSA-N 398.488 3.539 0 40 GHAB COCCc1ccc(-c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)cc1 10556151 SKQGRGLMNFQEFU-UHFFFAOYSA-N 379.445 3.523 0 40 GHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cn(-c2ccc3c(c2)OCCO3)nn1 36392833 JWYNZEPDQSIVJL-UHFFFAOYSA-N 391.214 3.598 0 40 GHAB CSc1cccc(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c1 12750231 PIBKUPHGPUHPDF-UHFFFAOYSA-N 385.464 3.906 0 40 GHAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1cc(Cl)c2c(c1)OCO2 48261477 LOQNIJJINZLRPF-UHFFFAOYSA-N 387.867 3.774 0 40 GHAB CC(C)N(C)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2Cl)cc1 48312795 LYRISIVGIWUVLU-UHFFFAOYSA-N 384.904 3.798 0 40 GHAB O=C(CCCNC(=O)c1ccsc1)NCCSc1ccc(Cl)cc1 12860705 LKLXQBNHWZANJF-UHFFFAOYSA-N 382.938 3.820 0 40 GHAB CCOc1ccc(NC(=O)CN(C)C(=O)/C=C/c2cccs2)cc1OCC 3400303 YJWXHVZWPDIWCG-PKNBQFBNSA-N 388.489 3.656 0 40 GHAB CN(CC(=O)Nc1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(F)cc1 3429849 MHMGMZOCNWBPBN-UHFFFAOYSA-N 398.459 3.752 0 40 GHAB C[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(Cl)cc1Cl 12974543 RGKFLBGSYRTDQT-NSHDSACASA-N 376.243 3.581 0 40 GHAB Cc1cccn2c(=O)cc(COc3ccccc3C(=O)NCc3ccccc3)nc12 12972417 TWXIGPCUYNQWHL-UHFFFAOYSA-N 399.450 3.512 0 40 GHAB CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1OCC 3652847 VIJXPQQCPQIHMH-GZTJUZNOSA-N 384.407 3.716 0 40 GHAB CCn1c(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)nc2ccccc21 8401784 PJICHVTUIMIADP-UHFFFAOYSA-N 396.516 3.554 0 40 GHAB CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2ccccc2F)CC1 13323396 GNGPXKGYLHKYIT-HKUYNNGSSA-N 375.532 3.669 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H](C)c2cccc(Cl)c2)c1C 8490509 FVBCEIFNSZDJSZ-LLVKDONJSA-N 376.840 3.522 0 40 GHAB CNC(=O)NC(=O)[C@H](Oc1ccc(Cl)cc1Br)c1ccccc1 5049095 IGCYRPWKPOLOQM-CQSZACIVSA-N 397.656 3.678 0 40 GHAB CCOC(=O)c1cccc(NC(=O)c2ccc3nc(NC(C)=O)sc3c2)c1 13732609 UQRBTNZDBRSYFS-UHFFFAOYSA-N 383.429 3.684 0 40 GHAB COc1cc(-c2noc(CCC(=O)Nc3cccc(C)c3)n2)cc(OC)c1OC 4384108 UKXNAKHYUCTLKK-UHFFFAOYSA-N 397.431 3.642 0 40 GHAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1C(F)(F)F 6384220 ODLOWSBWAPCECX-UHFFFAOYSA-N 376.334 3.911 0 40 GHAB Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2cccs2)cc1 4553384 DTSOHKFCMOIVBE-UHFFFAOYSA-N 376.437 3.957 0 40 GHAB Cc1nn(CN(C)Cc2ccccc2N2CCCCC2)c(=O)c2ccccc12 14215291 GIQASKMDHUCJLL-UHFFFAOYSA-N 376.504 3.785 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(F)cc2)c1 9237674 LWNYAJZTPZZSKO-QZTJIDSGSA-N 397.479 3.740 0 40 GHAB Cc1sc2nc([C@H](C)Sc3nnc(NC4CC4)s3)[nH]c(=O)c2c1C 6973179 NVLDTCIDXHUIAA-QMMMGPOBSA-N 379.536 3.881 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)cc1OC 7057175 NRLNVMZVKKDHCJ-UHFFFAOYSA-N 386.267 3.576 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4cccs4)o3)n2)cc1 9209198 GELXINKQLQGNNR-UHFFFAOYSA-N 397.489 3.910 0 40 GHAB O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1cccc2[nH]ccc12 71287383 OPUNRJMRSUPZDB-UHFFFAOYSA-N 378.819 3.684 0 40 GHAB C[C@@H](NC(=O)CSc1nnnn1C1CCCC1)c1cccc2ccccc12 8186970 LEVGKRHRLMKFOV-CQSZACIVSA-N 381.505 3.911 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8156789 HSYHTHUTTUDBNA-AUNFYEFLSA-N 379.412 3.563 0 40 GHAB C[C@@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)NC[C@H]1CCCO1 8135659 YZMVTOOSZFHHJB-NVXWUHKLSA-N 381.501 3.801 0 40 GHAB Cc1ccc2cc(CN(C)C(=O)c3ccccc3Br)c(=O)[nH]c2c1 9499875 LVUWMCGUKWEFJR-UHFFFAOYSA-N 385.261 3.871 0 40 GHAB Cn1nc(CC(=O)N(Cc2ccccc2)c2ccccc2)c2ccccc2c1=O 25731365 KZNLMTZNQBVASJ-UHFFFAOYSA-N 383.451 3.709 0 40 GHAB COc1ccc([C@H](CNC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)N(C)C)cc1 72280726 LMKZIIDTYCQOJN-GUYCJALGSA-N 388.537 3.701 0 40 GHAB COCc1ccccc1NC(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 97212354 IFMQJYLBSSOSNA-MRXNPFEDSA-N 377.485 3.696 0 40 GHAB CC(=O)c1ccc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)c(F)c1 95464467 GVLGBKHVKULRSH-IYBDPMFKSA-N 398.478 3.568 0 40 GHAB CC(C)c1ccc(-n2cc(O)c(C(=O)N(C)[C@H](CCO)c3ccccc3)n2)cc1 95453490 IBIMLUUBBLGWIU-HXUWFJFHSA-N 393.487 3.897 0 40 GHAB CS(=O)(=O)Cc1c(C(=O)Nc2cc(Cl)c(Cl)cn2)oc2ccccc12 95962652 WZWZHUDMDZHBFS-UHFFFAOYSA-N 399.255 3.932 0 40 GHAB CCOC(=O)c1c(CN2CCc3ccccc3[C@H]2CO)nc2ccccc2c1C 79075012 RIVBOIXQPZTVGC-JOCHJYFZSA-N 390.483 3.812 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1N1CCCC1=O 30755307 QVDLKIDIWFPYDL-UHFFFAOYSA-N 394.880 3.585 0 40 GHAB Cc1ccc(-c2nnc(SCC(N)=O)n2-c2cccc(C(F)(F)F)c2)cc1 36646225 KJOVBZFYNXVIBE-UHFFFAOYSA-N 392.406 3.839 0 40 GHAB Cc1cccc(OCc2nn(CC(=O)N[C@H](C)c3ccccc3)c(=S)o2)c1 409157743 RTMRNAIEDQNJSC-OAHLLOKOSA-N 383.473 3.970 0 40 GHAB O=C(CC1(Cn2cccc2)CCCCC1)N1CCN(Cc2cccnc2)CC1 524732519 LOEUXLRIWYWKPR-UHFFFAOYSA-N 380.536 3.568 0 40 GHAB CCc1nnc(Nc2cc([C@@H]3CCCN3C(=O)C3CCCC3)nc(C)n2)s1 72360321 OPQGKMQKFWJIMK-HNNXBMFYSA-N 386.525 3.796 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)cc1 35289572 HSHYZBPCTOTREF-SFHVURJKSA-N 383.448 3.647 0 40 GHAB CCCCCNC(=O)c1ccc(Oc2nccnc2N2CCSCC2)cc1 33170771 DAEJUEQEUOLZAJ-UHFFFAOYSA-N 386.521 3.742 0 40 GHAB CC[C@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 219319557 HEEHMSRVRBKWIW-IBGZPJMESA-N 395.459 3.870 0 40 GHAB COc1ccc(CC(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc1OC 32753512 RNFPZKWHPXCOEB-UHFFFAOYSA-N 389.402 3.650 0 40 GHAB C[C@H](Cc1ccc2c(c1)OCO2)CN1CCC[C@H](n2c(=O)oc3ccccc32)C1 72347846 XAGSJYHYDVUZIM-AEFFLSMTSA-N 394.471 3.839 0 40 GHAB Nc1ncc(-c2ccccc2F)c([C@@H]2CCCCN2C(=O)Cc2ccccn2)n1 72377007 CEPQUPGDLICPLB-IBGZPJMESA-N 391.450 3.556 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCCOc1ccc(C)cc1C)CCCC2 225170426 AVGUBARNZSTTQV-UHFFFAOYSA-N 389.517 3.548 0 40 GHAB COC(=O)c1cc(N(C)S(=O)(=O)c2ccc(SC)cc2)ccc1Cl 224991845 ROIDSJUKXHSMRF-UHFFFAOYSA-N 385.894 3.674 0 40 GHAB COc1ccccc1CNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225313707 OKVNRYBPQBVDHU-UHFFFAOYSA-N 383.517 3.808 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C 223468928 WVZZKNHWXOTPJG-IBGZPJMESA-N 396.531 3.880 0 40 GHAB CCN1CCN(Cc2ccccc2CNC(=O)C[C@H](C)c2ccccc2)CC1 40107969 LBBPQOBGENWNJG-FQEVSTJZSA-N 379.548 3.634 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3c(C)cccc3C)ccc21 225721794 AVGVCKPISDHFOW-UHFFFAOYSA-N 376.503 3.891 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(C)ccc3C)c(Cl)cc21 223361688 CDUDLAMIGOQQJJ-UHFFFAOYSA-N 380.853 3.685 0 40 GHAB CC(C)n1nc(CN2CCCC2)c2c1CN(C(=O)c1ccc(F)c(F)c1)CC2 96255943 FRNZBZFTVSQCPN-UHFFFAOYSA-N 388.462 3.537 0 40 GHAB O=C(c1ccccn1)N1CCO[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257207568 BIIIWGDMXASQAV-SFHVURJKSA-N 383.835 3.528 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C)CC2)on1 257317737 VKXXBBFFXCIHKQ-MWQQHZPXSA-N 397.523 3.552 0 40 GHAB CN(C)CCOc1cccc(CN(C)Cc2cnc([C@@H]3CCCO3)s2)c1 585084628 VBRDYPPGJOIHLF-IBGZPJMESA-N 375.538 3.567 0 40 GHAB CCCc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)n(C)n1 257246954 IWRXNKDSJBIDHP-GOSISDBHSA-N 392.503 3.971 0 40 GHAB Cc1cc(-c2c(C)noc2C)nc([C@@H]2CCCCN2C(=O)Cc2cccnc2)n1 257245307 IOXHPUADODAHNS-IBGZPJMESA-N 391.475 3.748 0 40 GHAB CC[C@@H](O)Cn1nc(-c2cc(CC(=O)O)ccc2OC)cc1-c1ccc(F)cc1 257234705 GUTUQIRPABUXBY-QGZVFWFLSA-N 398.434 3.763 0 40 GHAB Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)nc(O)n1 257258352 KTLXXMLAMOLINF-SFHVURJKSA-N 396.422 3.576 0 40 GHAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccnc4)o3)CC2)on1 257266668 MDZIVNYLNAYZRX-SHTZXODSSA-N 395.463 3.947 0 40 GHAB Cc1ncsc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 257249559 JIXAKOSSQBPYQX-HDJSIYSDSA-N 383.477 3.600 0 40 GHAB CCc1c(C)nc2ccccc2c1N1CCc2c(cccc2S(=O)(=O)NC)C1 672294994 DKICNEGOCRYJDK-UHFFFAOYSA-N 395.528 3.576 0 40 GHAB COCC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C[C@@H]2c1ccccc1 585169189 VIWLEXJZBOYJMQ-JOCHJYFZSA-N 378.516 3.541 0 40 GHAB CCN(CC)CCn1c(NC(=O)c2ccc3c(c2)CCO3)nc2ccccc21 43733134 WWROOFYQDFUVFD-UHFFFAOYSA-N 378.476 3.565 0 40 GHAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(C(F)(F)F)nc2)C(C)C)cc1 677781328 UFFIPVOUOMZEMJ-INIZCTEOSA-N 379.382 3.802 0 40 GHAB O=C(O)c1cnc([C@H]2CCCN(C(=O)CSc3ccc(F)c(F)c3)C2)s1 1608966948 PWHLFDQHMRFCDD-JTQLQIEISA-N 398.456 3.618 0 40 GHAB CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccc(OC)c3OC)NC(=O)CN21 2120199 KBDGACIYCOAQKV-JHUUHBRDSA-N 392.499 3.903 0 40 GHAB biogenic CCCN1CC[C@H]2CC(=O)Nc3ccc(-c4cnn(C)c4)cc3OCC[C@H]2C1 1534646240 FKMMWCJMYHZRCW-ROUUACIJSA-N 382.508 3.546 0 40 GHAB FC(F)(F)c1nc2cc(Br)c(I)cc2[nH]1 642887035 GARRULVDSDPTSX-UHFFFAOYSA-N 390.928 3.949 0 40 GHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc(F)c1 8091541 ZLXJHOFDQMKPKL-OVCLIPMQSA-N 390.798 3.589 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 5210716 KBCYERGHTUYJRQ-UHFFFAOYSA-N 382.445 3.734 0 40 GHAB COc1ccc(C2=NN(C(=O)c3cccc(C)c3)[C@@](O)(C(F)(F)F)C2)cc1 5747750 ZPKDVOCGLJIEGV-SFHVURJKSA-N 378.350 3.505 0 40 GHAB COc1ccc(-c2csc(NC(=S)NC(=O)Cc3ccccc3)n2)cc1 5880204 WLUQAOZZJWACAP-UHFFFAOYSA-N 383.498 3.874 0 40 GHAB O=C(c1cc(-c2cccs2)n[nH]1)N1C[C@H]2CC[C@](O)(c3ccc(F)cc3)[C@H]2C1 12087699 MUELAFJWGGHOMR-QTPGKHNVSA-N 397.475 3.647 0 40 GHAB COc1ccc(CN2CCC(c3noc(-c4cnccn4)n3)CC2)c(C)c1C 12337350 KPESWAMEALJHKM-UHFFFAOYSA-N 379.464 3.532 0 40 GHAB CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccs1 12528310 YGTFYBGMLZSUOQ-UHFFFAOYSA-N 395.550 3.853 0 40 GHAB CC(C)Oc1ccc(N2C[C@@H](C(=O)NC[C@H](C)c3ccccc3)CC2=O)cc1 13999488 UAOYCXSYFCWAJS-HKUYNNGSSA-N 380.488 3.747 0 40 GHAB CCCCCCc1c(C)nc(N2CCN(c3ccccc3OC)CC2)[nH]c1=O 14608486 FPHHKPBSDCYJPI-UHFFFAOYSA-N 384.524 3.536 0 40 GHAB C[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 16109050 QNYOZCJAZMAOCY-ZDUSSCGKSA-N 397.949 3.854 0 40 GHAB COCCOc1ccc(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cc1 19593648 XTPHSWZEWAKQEU-UHFFFAOYSA-N 379.460 3.608 0 40 GHAB Cn1nccc1CN1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692378 UPSSXOJVKGBGRD-NRFANRHFSA-N 382.895 3.633 0 40 GHAB Cc1nc2sc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)c(C)c2c(=O)[nH]1 19718948 BVNWXXNVUHKFDR-CYBMUJFWSA-N 383.473 3.634 0 40 GHAB CCN1CCCCN(C(=O)C2CC2)[C@@H](CC(C)C)COc2ccccc2C1=O 643582905 OTDNUHRCIHJVCN-IBGZPJMESA-N 386.536 3.975 0 40 GHAB O=C([C@@H]1Cc2ccccc2S1)N1CCC(c2nc(-c3ccccn3)no2)CC1 588068704 OIUADFUXTOMIQH-SFHVURJKSA-N 392.484 3.555 0 40 GHAB Cc1cc(C(=O)OCC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)on1 6852120 NRYZJPYMHNYLDV-UHFFFAOYSA-N 384.407 3.823 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3ccccc3F)CC2)CN1Cc1ccccc1 1848352581 LJFQIEMKWXRNSA-QHCPKHFHSA-N 382.479 3.609 0 40 GHAB CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc(Cl)c(Br)[nH]1 32936298 PCWMRZIYDSQIKD-VHSXEESVSA-N 391.693 3.767 0 40 GHAB Nn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1 5257229 LNZAVIICOPUVDT-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(F)cc(F)cc3s2)on1 12422333 WHNQVXDKMVOXOF-NSHDSACASA-N 379.388 3.697 0 40 GHAB COc1ccc(-n2c3c(c(=O)[nH]c2=S)CN([C@@H](C)c2ccccc2)CN3)cc1 19939319 AIYGMUADCFTJJE-AWEZNQCLSA-N 394.500 3.850 0 40 GHAB CO[C@@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1Cl 206852811 BXVQDPOPQQDOAF-HNNXBMFYSA-N 378.252 3.799 0 40 GHAB C[C@@H]1S[C@]2(C(=O)Nc3ccccc32)N(c2cccc(Br)c2)C1=O 5529017 PDVILXIJQRXXNC-DYZYQPBXSA-N 389.274 3.723 0 40 GHAB CN(CC(=O)Nc1c(-c2ccccc2)nc2sccn12)C(=O)c1ccccc1 40060269 HESVNBXRQMEISN-UHFFFAOYSA-N 390.468 3.774 0 40 GHAB Cc1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2c(C)c(C)sc2n1 1377231 OTQHINDEAWIDBV-UHFFFAOYSA-N 384.480 3.718 0 40 GHAB O=C1c2ccccc2[C@]2(Br)C(=O)c3ccccc3[C@]12Br 1745496 DKURMNDEKYFQTB-HOTGVXAUSA-N 392.046 3.960 0 40 GHAB NC(=O)N[C@H](CC(=O)N1CCC(CCc2ccccc2)CC1)c1ccccc1F 32470535 NYGYHOQSZMXKJE-OAQYLSRUSA-N 397.494 3.797 0 40 GHAB Cc1ccc2c(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)coc2c1 2619576 RCZASMAMEPGKAQ-UHFFFAOYSA-N 375.428 3.720 0 40 GHAB Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2cccc(C)c2C)CC1 4895319 YRRQQZAPWXFGLK-UHFFFAOYSA-N 377.492 3.632 0 40 GHAB O=C(NCCc1ccccc1)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 4965517 URXLZQQSPOSDKG-UHFFFAOYSA-N 385.895 3.943 0 40 GHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nc2nc(C)cc(C)n2n1 6553706 NOHDPBGHBMDXEP-UHFFFAOYSA-N 393.369 3.801 0 40 GHAB CCc1ccc([C@@H](NC(=O)CCn2cnc3sccc3c2=O)C(C)C)cc1 21448785 WOPGMSCTGOFGNU-IBGZPJMESA-N 383.517 3.924 0 40 GHAB CCOc1ccc(-c2nc(C(=O)Nc3ncc(C(=O)OC)s3)cs2)cc1 32824715 DTUQVELRFPCPTN-UHFFFAOYSA-N 389.458 3.704 0 40 GHAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)C(c1ccccc1)c1ccccc1 32809104 NPXPPQCMFJOVAI-SFHVURJKSA-N 391.496 3.905 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)c3c(C)[nH]c4ccccc34)C(=O)[C@@H]2C)cc1 8394554 KVEHXROUIMCHDM-HNNXBMFYSA-N 375.428 3.825 0 40 GHAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(Cl)ccc1O 23074568 SZUBRYUVWQXQRX-UHFFFAOYSA-N 387.863 3.684 0 40 GHAB CC1(C)CCc2cc(Cc3nn4c(-c5cccnc5)nnc4s3)ccc2O1 12323281 BTMAKMOEARUIFH-UHFFFAOYSA-N 377.473 3.942 0 40 GHAB Cc1noc(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 23116320 MDHGYUOMTGPUCM-UHFFFAOYSA-N 397.397 3.718 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)COc2ccc(Cl)cc21 23455239 QHHYJQZKGJZTEH-UHFFFAOYSA-N 399.299 3.829 0 40 GHAB COc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(OC)c1OC 3094874 ICKJVUGXTIAYDM-UHFFFAOYSA-N 375.265 3.782 0 40 GHAB O=C(c1ccco1)N1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 23956022 PEAKKBJJXQARGW-UHFFFAOYSA-N 392.484 3.614 0 40 GHAB C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1ccc(C(F)(F)F)cc1 28237261 FFILFYHAURYADT-VIFPVBQESA-N 376.176 3.939 0 40 GHAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 1388680 WVPWKIPBKAKOGQ-UHFFFAOYSA-N 392.691 3.851 0 40 GHAB CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1ccccc1OCC 1457622 JOSXXMMCRJVCSV-UHFFFAOYSA-N 387.476 3.787 0 40 GHAB COC(=O)C1=C(C)Nc2nc(=S)[nH]c(O)c2[C@H]1c1ccc(C(F)(F)F)cc1 28465886 DUXGBXSMUNLPGX-NSHDSACASA-N 397.378 3.868 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)C3CCN(C)CC3)cc12 3256371 IJHKEHAFOZFSNZ-UHFFFAOYSA-N 386.496 3.701 0 40 GHAB Cc1ccccc1NC(=O)c1sc2ncn(C[C@H]3CCCO3)c(=O)c2c1C 35673361 OZXNVJIXMQABSG-CQSZACIVSA-N 383.473 3.506 0 40 GHAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Br)cc1 3296221 WUXFTGRQLUACOK-UHFFFAOYSA-N 379.279 3.893 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 28206541 WPGMCPNERYUQBI-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB CCCC[C@@H](C(=O)OCC(=O)c1ccc(C)cc1)N1C(=O)c2ccccc2C1=O 2064566 GHMZLLSBOUHSLO-IBGZPJMESA-N 393.439 3.576 0 40 GHAB CCc1nc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)sc1C 44701781 XBVSZHLZMTVLQL-MDZDMXLPSA-N 383.517 3.904 0 40 GHAB COc1ccc(NC(=O)CSc2ccc3nnc(C(C)C)n3n2)cc1Cl 44893737 RRZLBTLCXPONSO-UHFFFAOYSA-N 391.884 3.641 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1C 10241557 RYAYNAPQGUHRJA-ZDUSSCGKSA-N 394.876 3.789 0 40 GHAB CC(C)COc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 2107942 PNQHONFIHAEHLR-HXUWFJFHSA-N 380.444 3.628 0 40 GHAB biogenic CC(=O)N1CCc2cc(NC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)ccc21 10376322 UGELMONSWYLQBZ-UHFFFAOYSA-N 380.835 3.891 0 40 GHAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccn1 2265057 VCKDVFNZOYTUCY-UHFFFAOYSA-N 375.457 3.761 0 40 GHAB CCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1OCC 408697690 LBSKJUKLRUDQGA-UHFFFAOYSA-N 396.896 3.598 0 40 GHAB CN(CN1CCC[C@H](C(F)(F)F)C1)S(=O)(=O)c1ccc2ccccc2c1 36476318 BRGIVINOTMHKFF-INIZCTEOSA-N 386.439 3.692 0 40 GHAB C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)C1 11019962 VRWRNINTRZVOPG-INIZCTEOSA-N 396.516 3.937 0 40 GHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N(C)[C@H](C)c1ccccc1 12758763 MOWIQMXMZYYHRI-GFCCVEGCSA-N 391.397 3.522 0 40 GHAB CCCn1nc(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)ccc1=O 12757048 VJFIZKJVJUNTDK-FERLNZQHSA-N 399.494 3.680 0 40 GHAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCC[C@H](C)C3)c2C1 8008066 KGIIXDUTNFXNPC-HOTGVXAUSA-N 380.488 3.775 0 40 GHAB CCC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1ccccc1 12899109 WZDVOYXRNXWDSE-FQEVSTJZSA-N 386.517 3.805 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)c3cc(C)n(CC(F)(F)F)c3C)nc2n1 3467403 VOOUKVYWKFSZFL-UHFFFAOYSA-N 397.426 3.697 0 40 GHAB COc1ccc(C)cc1-n1nnnc1SCCOc1ccccc1Cl 3435162 WYXDNKJTEHPEQL-UHFFFAOYSA-N 376.869 3.804 0 40 GHAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1CCOc1cccc(Cl)c1 13074399 RTJGHSDVBCUSGC-GOSISDBHSA-N 376.865 3.564 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 8279677 UWULHZFPZKPZSG-CQSZACIVSA-N 397.500 3.644 0 40 GHAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)c1 5046939 FMTSPSFBZUMWFK-UHFFFAOYSA-N 392.864 3.952 0 40 GHAB COc1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc(OC)c1OC 5020161 ISQFLSIWRSFURI-GOSISDBHSA-N 383.448 3.716 0 40 GHAB COc1ccc(-c2csc(NC(=O)CN3CCC[C@H]3c3cccn3C)n2)cc1 8327353 IOAJZWZTZKZNAP-IBGZPJMESA-N 396.516 3.933 0 40 GHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)c1ccccc1 6144993 VNQMIEAULCXFHL-UHFFFAOYSA-N 394.500 3.763 0 40 GHAB COC(=O)c1ccccc1NC(=O)CSc1nc(C)c(C)n1CC(C)C 5262845 LXTCCRMDABEMGQ-UHFFFAOYSA-N 375.494 3.673 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCC(OCc3ccccc3)CC2)cc1 14095577 XRWLRPPXTUCTGI-QGZVFWFLSA-N 395.503 3.653 0 40 GHAB CCCCOc1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1 5325142 FWQGMBUZIHLVJQ-UHFFFAOYSA-N 379.460 3.994 0 40 GHAB O=C1CCCN1c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 5329472 WWDCYCRJPNCBFT-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB CCOC(=O)N1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 5483183 AZRBTGDLHSFASM-UHFFFAOYSA-N 380.444 3.661 0 40 GHAB Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)NC[C@H]1CCCO1 4676445 CNUJEVCUDNTCGS-LJQANCHMSA-N 378.472 3.893 0 40 GHAB CC(C)[C@H](NC(=O)[C@H](C)NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 6657465 HHZKBGVHKUCWMF-KSSFIOAISA-N 379.464 3.586 0 40 GHAB COC(=O)c1ccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 6610392 SFSRNVYYXXTCGC-UHFFFAOYSA-N 394.427 3.838 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)CNc1cc(Cl)cc(Cl)c1)OCO2 69578078 SSGYUMBHUXMLCQ-UHFFFAOYSA-N 381.215 3.975 0 40 GHAB CC(C)C(=O)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCS(=O)(=O)C1 6757020 LMRXUVHDVAMLQQ-INIZCTEOSA-N 395.908 3.772 0 40 GHAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(OC[C@@H]2CCCO2)cc1 6881808 UFCAHIDLNUFYQU-KRWDZBQOSA-N 398.850 3.731 0 40 GHAB OCCn1c(CSc2ncnc3sccc23)nc2ccc(Cl)cc21 5886606 AWEQRJZGHQHTGS-UHFFFAOYSA-N 376.894 3.979 0 40 GHAB COC(=O)c1ccc(CNC[C@H](O)COc2ccc(-c3ccccc3)cc2)cc1 4980047 JJFBTKJSIACRIT-QFIPXVFZSA-N 391.467 3.670 0 40 GHAB Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)n1C 4947947 GBVOITQYQQSZHA-SNVBAGLBSA-N 377.857 3.551 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1 67349778 LWCHXIUKJMHXRV-UHFFFAOYSA-N 391.880 3.970 0 40 GHAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCC3)cc1OC 7215261 IPVDBYYHLYDOQX-UHFFFAOYSA-N 389.517 3.793 0 40 GHAB CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(F)cc1 8867764 FJERXDPJQQCNAA-IBGZPJMESA-N 381.403 3.904 0 40 GHAB O=C(O)c1ccc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)cc1Cl 78938784 HSLXFTQAOAHSCR-UHFFFAOYSA-N 393.770 3.944 0 40 GHAB c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCc3ccccc3C2)cc1 20120923 LPJCTDCOQKMALX-HSZRJFAPSA-N 381.483 3.869 0 40 GHAB Cc1ccc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)c(Cl)c1 32642923 PPOBARYSQVUZHQ-UHFFFAOYSA-N 382.851 3.681 0 40 GHAB CC(C)c1cccc2c(=O)c(C(=O)NC[C@H]3CCCN4CCCC[C@@H]34)c[nH]c12 526052607 UBRKBSVIKOHDBK-UZLBHIALSA-N 381.520 3.646 0 40 GHAB biogenic CCCSc1nnc(NC(=O)COc2ccc(Br)cc2)s1 39989106 VYXUTONWWVHKME-UHFFFAOYSA-N 388.312 3.820 0 40 GHAB CCn1ccc(C(=O)N2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)n1 72362970 LZYZXHNCHXFNRJ-UHFFFAOYSA-N 395.438 3.644 0 40 GHAB CCC[C@@]1(NC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)CCOC1 557612939 IIFYKQYIJPBJSL-QGZVFWFLSA-N 383.279 3.572 0 40 GHAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C4CCN(C)CC4)C3)n2)c1 72350383 QUVOFFHKTBXGBD-HXUWFJFHSA-N 393.531 3.805 0 40 GHAB Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2cccc(N)c2)cc1 215670936 VSSMTXWLJRRZFE-JCMHNJIXSA-N 385.467 3.665 0 40 GHAB Cc1cc(-c2snnc2[C@H]2CCCN(Cc3cnc(C(C)C)nc3)C2)on1 72396711 DUBIZWWTTNBVLK-HNNXBMFYSA-N 384.509 3.795 0 40 GHAB CC(=O)N1CCC(N2CCC[C@H](c3cncc(Oc4cccc(C)c4)n3)C2)CC1 72363024 VSCIMMOSBYPWGW-IBGZPJMESA-N 394.519 3.768 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(Br)c(C)c2)cc1F 225108688 CFTOTQCIVLSULL-UHFFFAOYSA-N 388.258 3.730 0 40 GHAB CCc1ccc(OCC(=O)NCCOc2ccccc2)c(Br)c1 224247272 ZKJKNHLPKRVKMM-UHFFFAOYSA-N 378.266 3.586 0 40 GHAB CCCSc1nnc(NS(=O)(=O)Cc2c(F)cccc2Cl)s1 223183423 QVQDWBNJMNJNHY-UHFFFAOYSA-N 381.907 3.775 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 223639200 NTZILGSXQUYGQX-SFHVURJKSA-N 384.545 3.782 0 40 GHAB CCOc1ccc(N2CCN(CC(=O)Nc3ccc(SC)cc3)C2=O)cc1 49385703 CLPSFLVPRJMLBF-UHFFFAOYSA-N 385.489 3.688 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 575444497 KGJMNHPXQXHXLU-YJYMSZOUSA-N 380.448 3.878 0 40 GHAB Cc1noc(C)c1CN1CCC2(CC1)CN(C1CCOCC1)Cc1ccccc12 96242608 HJGYLJVCQADLDY-UHFFFAOYSA-N 395.547 3.820 0 40 GHAB Cc1cccc(Nc2cncc(C3CCN(C(=O)[C@@H]4CC=CCC4)CC3)n2)n1 257291549 QHMUGSBNDNNQDQ-GOSISDBHSA-N 377.492 3.986 0 40 GHAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CN(Cc3cn(C)nc3C)CCO2)n1 257253395 JYTOHCQXBAIPGO-HSZRJFAPSA-N 394.494 3.735 0 40 GHAB CC(=O)N1CC(OCC(=O)N(Cc2cccc3ccccc23)c2ccccc2)C1 644413148 PFEDXDIBNREXMM-UHFFFAOYSA-N 388.467 3.620 0 40 GHAB CN(C(=O)c1ccc2c(n1)OCCO2)[C@H](c1ccc(Cl)cc1)C(F)(F)F 653693998 VLFVIGABOXCKKX-CQSZACIVSA-N 386.757 3.882 0 40 GHAB O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(Cc1cccc(F)c1)C2=O 585099779 ZIBDLFDWPAWKNI-UHFFFAOYSA-N 384.426 3.620 0 40 GHAB O=C(NCc1ccco1)C1CCN(C(=O)Nc2cccc3ccccc23)CC1 58190623 WYMRAFGQTRFESF-UHFFFAOYSA-N 377.444 3.993 0 40 GHAB CC(=O)N1CCN(Cc2csc(C)n2)C[C@@H](Cc2cnc3ccccc3c2)C1 1615192331 UDYHGJRXEGENAM-LJQANCHMSA-N 394.544 3.523 0 40 GHAB COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 8092299 GXNCVSUMHCELNW-LICLKQGHSA-N 378.409 3.581 0 40 GHAB C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)NC(=O)NC1CCCCC1 5175145 QPUDKCGXYWCFLQ-AWEZNQCLSA-N 386.521 3.726 0 40 GHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 14022830 SRFRBIUWJDUKTK-WIYYLYMNSA-N 396.487 3.700 0 40 GHAB O=C(OCc1cc(=O)n2nc(C3CCCCC3)sc2n1)C1CCCCC1 15734147 TXUHLEQOUNWXOK-UHFFFAOYSA-N 375.494 3.822 0 40 GHAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)C1 16016655 SDGNUFGUOMJXHD-KUCQQTCKSA-N 390.530 3.821 0 40 GHAB O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)NC[C@H]1CCCO1 16848880 GQZVINJATWFISL-MRXNPFEDSA-N 389.908 3.944 0 40 GHAB O=C(N[C@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1)c1cccc(F)c1 19369280 VRJXNRLVLOGZCR-LJQANCHMSA-N 377.419 3.500 0 40 GHAB Cc1cc(C(=O)NCCc2nc3cc(Cl)ccc3[nH]2)c2cnn(C(C)C)c2n1 19569491 FLWPIBFFALKTEF-UHFFFAOYSA-N 396.882 3.823 0 40 GHAB O=C(CN1CCC(Oc2ccc(F)cc2)CC1)NCCc1c[nH]c2ccccc12 19656877 TYEKSBDCHIGGSX-UHFFFAOYSA-N 395.478 3.509 0 40 GHAB CC(C)C(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)CC1 19700174 MOTZQHNGLIDCLM-UHFFFAOYSA-N 393.531 3.644 0 40 GHAB CC(C)c1ccc2c(c1)[C@H](NC(=O)NC1CCN(c3cccnn3)CC1)CCC2 580751100 VEOAJAKJAWYCJZ-OAQYLSRUSA-N 393.535 3.946 0 40 GHAB CCCN(CC1CC1)C(=O)CSc1nnc(NCc2ccccc2)s1 3330838 FQNVVEGOFPAATC-UHFFFAOYSA-N 376.551 3.891 0 40 GHAB CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 3516675 KKLBBJZBFUSUBQ-JOCHJYFZSA-N 380.444 3.564 0 40 GHAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1Sc1ccccc1 7007852 DHIHAKMOBHLDNA-UHFFFAOYSA-N 395.484 3.641 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1 23779081 QYWUMCXNQVMAAE-OAQYLSRUSA-N 379.435 3.736 0 40 GHAB CC[C@H](C(=O)N1CCC(n2nc(C(C)(C)C)ccc2=O)CC1)c1ccccc1 1775995092 BEZIODZCOJVQQH-IBGZPJMESA-N 381.520 3.898 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 238900911 RMCRNFCDDPOJMV-DLBZAZTESA-N 383.835 3.755 0 40 GHAB Cc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccccc4)nn23)cc1 4164787 CXAMDFYRROUJKI-UHFFFAOYSA-N 389.484 3.508 0 40 GHAB O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCc1cccs1 9627840 MFEJCOCAQMWHTK-UHFFFAOYSA-N 391.905 3.969 0 40 GHAB Cc1ccccc1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccs1 22732495 SOWYUPFAPIXNCX-OAHLLOKOSA-N 378.519 3.629 0 40 GHAB O=C(C1CCN(c2ccc(C(F)(F)F)nc2)CC1)N1CCC(F)(F)CC1 2086854691 URWDGUYZEAFRSE-UHFFFAOYSA-N 377.357 3.575 0 40 GHAB Cc1ccc(SCC(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)cc1 40157061 ORZHBCOJJMMBLY-UHFFFAOYSA-N 383.561 3.516 0 40 GHAB CC(=O)c1csc(NC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)n1 40131715 JUZHZEDOTLZPRW-UHFFFAOYSA-N 379.747 3.588 0 40 GHAB Cn1c(SCc2ccc(F)cc2)nnc1-c1cnn(-c2ccccc2)c1N 2585210 IVZDWSYVVMDPQG-UHFFFAOYSA-N 380.452 3.681 0 40 GHAB CCc1cc(Br)ccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1[C@H]1C[C@H]21 101291637 KAIBOPVJDVZKPL-ZIQGKUQCSA-N 390.277 3.719 0 40 GHAB CCOc1cc(C=O)ccc1OC(=O)c1cccc(I)c1 725297 VJSCYZWDXQMPPV-UHFFFAOYSA-N 396.180 3.722 0 40 GHAB CCCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccccn1 1362611 CHSCHOWKQZYURE-UHFFFAOYSA-N 397.504 3.880 0 40 GHAB C[C@@H](NC(=O)CN1CCC(N2CCCCC2)CC1)c1ccc2ccccc2c1 52002164 MZYCDBWYAPSROD-LJQANCHMSA-N 379.548 3.967 0 40 GHAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)O[C@@H]3C[C@H](C)OC3=O)cc12 32736206 CPCVBIQDXYEKKQ-LKFCYVNXSA-N 390.848 3.910 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccc(Cl)cc2)c2c(C)cccc21 4988025 RUORGCKQICTSIV-OAQYLSRUSA-N 387.863 3.631 0 40 GHAB Cc1cc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)c2c(C)noc2n1 32870586 FPUAGDVVVJCILX-QGZVFWFLSA-N 381.432 3.652 0 40 GHAB Cc1ccccc1NC(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1 8735451 PMNMSDRPQWQWQU-UHFFFAOYSA-N 385.537 3.889 0 40 GHAB Cc1cccc(-n2ccnc2SCC(=O)NCCN(C(C)C)C(C)C)c1C 32903700 RYTWOXXAAKEOCM-UHFFFAOYSA-N 388.581 3.816 0 40 GHAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)c1 28286999 REEKQXKTSBKBPB-GFCCVEGCSA-N 380.400 3.935 0 40 GHAB C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCN(C/C=C/c2ccccc2)CC1 22774307 KFDSRYMGECQPKP-AZHXHMFBSA-N 389.543 3.684 0 40 GHAB CC[C@@H](C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CC)CC)n1 850758 BCOPQQOZMPSIKT-MRVPVSSYSA-N 389.344 3.800 0 40 GHAB O[C@@H](CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 23466526 MMKMHGULHLNONU-INIZCTEOSA-N 385.817 3.609 0 40 GHAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(-c3ccc(Cl)s3)cs1)CS2 23681839 VTWZTGIMMBIBDE-PSLIRLAXSA-N 399.950 3.918 0 40 GHAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)cc1 106701881 OSSXKYBMGQYABW-YVLHZVERSA-N 383.425 3.695 0 40 GHAB Cc1cccc(OCCCNC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 26278284 FUUBEZIYAPKIGO-UHFFFAOYSA-N 387.911 3.949 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N[C@H](C)c2ccccc2Cl)cc1 57452192 KHNJKTJMNOHDCV-CVEARBPZSA-N 387.911 3.785 0 40 GHAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(Cc1ccco1)C1=CCCCC1 12794318 LEYAGBBPAPCCTN-UHFFFAOYSA-N 381.411 3.559 0 40 GHAB CCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccc(OC)cc1)N2 2423884 SKQVSZXJHBGSGS-ZWKOTPCHSA-N 395.438 3.921 0 40 GHAB Cc1cc(C)n(-c2cncc(N3CCN(Cc4cccc5ccccc45)CC3)n2)n1 48312512 WGUCSCWMFJPUAA-UHFFFAOYSA-N 398.514 3.755 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 12815495 IADZDMDYLAFWQK-AWEZNQCLSA-N 391.874 3.888 0 40 GHAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)c3ccc(Br)cc3)nc2n1 3449931 INLMEUQSFDNSLP-NSHDSACASA-N 391.294 3.867 0 40 GHAB C[C@H](Cn1ccnc1)NC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 62580155 OICAPYNIKOMQAD-CQSZACIVSA-N 387.459 3.751 0 40 GHAB O=C(CCNC(=O)NCc1ccccc1)N[C@H](c1ccccc1)c1cccs1 12919972 RLXMKCZQHUMYMF-OAQYLSRUSA-N 393.512 3.843 0 40 GHAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3OC)C(C)C)cc2c1 3984939 UKSCCHXFINIZJN-UHFFFAOYSA-N 380.444 3.596 0 40 GHAB biogenic Cc1ccc(OCC(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20153666 DTNUIUXDCUIOGH-UHFFFAOYSA-N 396.468 3.639 0 40 GHAB COc1ccc(-c2noc(CCC(=O)NC34CC5CC(CC(C5)C3)C4)n2)cc1 14093204 VPKZFWWPRGBLFJ-UHFFFAOYSA-N 381.476 3.763 0 40 GHAB O=C(Cc1csc(N2CCCC2=O)n1)OCc1ccc(Cl)c(Cl)c1 6586008 NDKNCVZOJBFDHR-UHFFFAOYSA-N 385.272 3.863 0 40 GHAB O=C(c1cn2ccccc2n1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 6608110 IWWXSISXEBVQCA-UHFFFAOYSA-N 393.834 3.843 0 40 GHAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)N[C@H]1CCCc2ccccc21 6643028 FSWYAKJTALPPLU-HNNXBMFYSA-N 379.243 3.739 0 40 GHAB Cc1ccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 4700231 LXJCKRMQZJKUMA-UHFFFAOYSA-N 391.559 3.551 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)cc1 5602694 VKWGRTUNYSFJKL-UHFFFAOYSA-N 388.489 3.559 0 40 GHAB C[C@H]1CCc2sc(C(=O)OCC(=O)N3CCC(c4ccccc4)=N3)cc2C1 5773846 SUGHAXIAFRSKIM-AWEZNQCLSA-N 382.485 3.666 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccccc1)S2 6812057 UZWCJLFXMGKJOR-DLBZAZTESA-N 399.907 3.892 0 40 GHAB CCOc1ccc(CC(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1 66803118 MJIDJACKJGWQKU-UHFFFAOYSA-N 376.460 3.861 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1 66803061 UUVXANZPOBMTHH-UHFFFAOYSA-N 378.432 3.551 0 40 GHAB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NC1CCCC1 4996203 CHGFZNLQFYCQGD-UHFFFAOYSA-N 392.908 3.594 0 40 GHAB Cc1ccc(C)c(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)c1 67298513 LPWROVFSNLEHOO-AIUXHPFZSA-N 392.455 3.896 0 40 GHAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccc(C)o3)N3CCCC3)cc(=O)c2c1 15860483 NMOBEQYRZCHUPA-GOSISDBHSA-N 394.471 3.878 0 40 GHAB Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@]2(O)C(F)(F)C(F)(F)F)o1 409001773 KGSXRTFRUSPUBY-HNNXBMFYSA-N 388.292 3.724 0 40 GHAB Cc1ccc(C(=O)NCCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)cn1 7871579 JIOYLEIDCSSLLC-SOFGYWHQSA-N 392.286 3.646 0 40 GHAB CCOc1ccccc1C(=O)NCC(=O)Nc1nc(-c2ccccc2)cs1 7986474 VNHDZQIDJCEENK-UHFFFAOYSA-N 381.457 3.577 0 40 GHAB Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccnn1C1CCCC1 8025486 VIMYQXPQJQLMJQ-UHFFFAOYSA-N 382.493 3.618 0 40 GHAB COc1ccc(C(NC(=O)CN2CCCCCC2)c2ccc(OC)cc2)cc1 8156564 XHXKZYNJTNICIF-UHFFFAOYSA-N 382.504 3.785 0 40 GHAB CC(C)N(C)C(=O)CN1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 69251269 JXROXPQEMXWPIW-UHFFFAOYSA-N 380.492 3.556 0 40 GHAB Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2N)[C@H](C)CCC4)cc1 19797057 TWMPGLMZAFZRTR-GFCCVEGCSA-N 399.541 3.895 0 40 GHAB Cc1ccc(-c2cc(C(=O)OCC(=O)N3CCCc4ccccc43)on2)cc1 84171854 CDUDWRUVNOFLSI-UHFFFAOYSA-N 376.412 3.786 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CNc2cc(Cl)ccc2N2CCOCC2)c1C 72271178 VBGMWRNSGUNRKK-UHFFFAOYSA-N 389.883 3.619 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3ccccc3F)C[C@H]2N1Cc1ccccc1 306130987 JUCZTYJIMVSQHR-FCHUYYIVSA-N 375.447 3.709 0 40 GHAB CCOc1ccc(NC(=O)c2cccc(N3C(=O)c4cccnc4C3=O)c2)cc1 408721267 FZEUXZWICMLLGD-UHFFFAOYSA-N 387.395 3.533 0 40 GHAB NC(=O)/C=C\c1ccc(OCc2ccccc2F)c(I)c1 409416274 XNWHYUNJSHXRCP-VURMDHGXSA-N 397.187 3.508 0 40 GHAB O=C(O)[C@H]1CCc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2C1 31624017 XMTDLARIWXOOOM-SFHVURJKSA-N 388.471 3.890 0 40 GHAB CCOC[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 218571851 WSBPFZSUIWBSBP-SLFFLAALSA-N 393.936 3.570 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccncc2)nc2ccccc12 37868791 KLGWAHIPQQJQAU-UHFFFAOYSA-N 383.407 3.956 0 40 GHAB O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccc(OC(F)(F)F)cc1 31722497 ZGTSMGGICOCWGO-UHFFFAOYSA-N 397.378 3.631 0 40 GHAB Cc1nc2c(c(Nc3nccs3)n1)CN(C(=O)CCc1ccccc1)CC2 72380810 TWMZCCMQSQUEGY-UHFFFAOYSA-N 379.489 3.503 0 40 GHAB CCOC(=O)c1cccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)c1C 225031645 LPEURQUPJLUXQE-UHFFFAOYSA-N 377.462 3.598 0 40 GHAB CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 44883056 BKMJEHYFWNUWHV-JTPHSUOKSA-N 378.516 3.874 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 225127294 JPPZDOKHPAXOLI-QFIPXVFZSA-N 396.531 3.880 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220572054 CQGPREVDFWWXMZ-SFHVURJKSA-N 396.459 3.765 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220701837 MTFUFJUAPRRUEY-CYBMUJFWSA-N 386.452 3.736 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 224379039 XNJRBJZGVCLFKU-LJQANCHMSA-N 390.886 3.965 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(OC)cc1 225187925 WWNLDSQIGYPWHM-JOCHJYFZSA-N 396.531 3.880 0 40 GHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)n1-c1cccnc1 222822472 YOEBAWCLRCLMNT-PMACEKPBSA-N 377.517 3.957 0 40 GHAB O=C(O)[C@H](c1ccc(F)cc1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 569856840 KAFOMYDVEULDRC-SFHVURJKSA-N 380.423 3.616 0 40 GHAB CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(OC)cc1 224860807 YAHIQQLNYAASAE-UHFFFAOYSA-N 384.295 3.981 0 40 GHAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1C 225816545 KWYQCUMIBGKUDV-SFHVURJKSA-N 375.490 3.678 0 40 GHAB O=C(OC1CN(c2nc3c(F)cc(F)cc3s2)C1)c1cnc2ccccc2n1 77101442 OCHUWLBNDNDTGW-UHFFFAOYSA-N 398.394 3.563 0 40 GHAB CC1(C)CCN(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[S@@]1=O 581768527 NDNVHRNYHBNMCO-SANMLTNESA-N 395.525 3.638 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccccn3)CC2)Oc2ccccc21 96053326 DHQJVQDYQXSBSW-IBGZPJMESA-N 393.531 3.897 0 40 GHAB C[C@H](N[C@@H](c1ccccc1)c1cccc(F)c1)c1cccc(S(N)(=O)=O)c1 540315658 ITXVVIZPYXZZLJ-BTYIYWSLSA-N 384.476 3.913 0 40 GHAB CC(C)(CO)NC(=O)Cc1ccc2c(c1)C[C@](C)(Cc1ccc(Cl)cc1)O2 257254552 KDPKCLQMTDYADA-QFIPXVFZSA-N 387.907 3.706 0 40 GHAB O=C(NCc1cc(-c2ccccc2)no1)N1CCO[C@H](c2ccccc2F)C1 589763118 PUXLURZBHWHVIX-FQEVSTJZSA-N 381.407 3.764 0 40 GHAB COc1nc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)co1 626397840 XBFMADQZSHJFBR-OAHLLOKOSA-N 386.383 3.630 0 40 GHAB O=C(Cn1ccc(C(F)F)n1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 627593364 RVFFWKDXHAGUKS-UHFFFAOYSA-N 394.369 3.702 0 40 GHAB COc1ccc(C2(CNS(=O)(=O)CCOc3ccccc3)CCCC2)cc1 90614340 YCOLNEKJIZTVCQ-UHFFFAOYSA-N 389.517 3.505 0 40 GHAB COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(-c2ccoc2)cc1 390831623 SYDKUGLBXGAWTN-UHFFFAOYSA-N 384.819 3.864 0 40 GHAB COc1ccc(Br)c(C(=O)NC[C@@H](OC)c2cccc(F)c2)c1 96388262 GQTHKDPANAVSME-MRXNPFEDSA-N 382.229 3.714 0 40 GHAB CCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cccs1)C2 585106634 DCPJHQIBUPWWJI-OAQYLSRUSA-N 378.501 3.905 0 40 GHAB O=c1cc([C@@H]2CCCN(Cc3ccccc3Cl)C2)nc(-c2cccnc2)[nH]1 72393079 VQUUINIJDNOMHT-QGZVFWFLSA-N 380.879 3.865 0 40 GHAB CN(C)Cc1csc(NC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)n1 1638618573 NSENIOJHBXRGLU-UHFFFAOYSA-N 395.460 3.935 0 40 GHAB COc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)N2CCCCCC2)cc1 2207119 LXEFZNLUXKQEQS-XDJHFCHBSA-N 384.501 3.930 0 40 GHAB O=S(=O)(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccccc1F 5084127 PSGVHHRYTQFCQW-UHFFFAOYSA-N 375.450 3.596 0 40 GHAB Cc1ccc(C(=O)NCCC2=CCCCC2)cc1N1CCCCS1(=O)=O 5439577 HBGFWWLKUWKVAU-UHFFFAOYSA-N 376.522 3.545 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(C)cc1Br 12880849 YTHHSSHXGITXEP-UHFFFAOYSA-N 392.249 3.986 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)N(C)CCOc2ccc(F)cc2)cc1Cl 15101708 KQHIMHLXOQBTQO-CYBMUJFWSA-N 380.847 3.826 0 40 GHAB COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCCN(Cc3ccc(C)o3)C1)O2 19216591 XBGUJROYZQFNJX-WZONZLPQSA-N 398.503 3.618 0 40 GHAB O=C1NC2(CCN(Cc3ccc(F)c(F)c3)CC2)Nc2ccc(Cl)cc21 19292886 RQLFGBWUJIHCQH-UHFFFAOYSA-N 377.822 3.766 0 40 GHAB O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)c1ccccc1F 19347764 NQUFMYMPEZHHHP-UHFFFAOYSA-N 393.447 3.638 0 40 GHAB Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(C)C3=O)cc2)c1 6478831 ZKFGBIWCYSMQLX-GZTJUZNOSA-N 382.441 3.679 0 40 GHAB COc1ccc(OCCN(C)Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)cc1 12222418 BTAPXEJXZAABKF-FQEVSTJZSA-N 381.476 3.934 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC 7109370 XXMUQWDCKLBZDT-UHFFFAOYSA-N 391.367 3.793 0 40 GHAB CC(=O)c1ccc(OCCCC(=O)NCCCN(C)Cc2ccccc2)cc1 28065838 TZAATGIJVNLXEP-UHFFFAOYSA-N 382.504 3.687 0 40 GHAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)Cc3cccc(Cl)c3)C2)cc1C 2037912996 JZLNKMIFIHUXMQ-JOCHJYFZSA-N 387.907 3.932 0 40 GHAB Cc1ccc(OCC(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1 5166369 OKMBGOBSCWCISB-UHFFFAOYSA-N 398.513 3.565 0 40 GHAB O=C(CSc1nnc(C2CCCCC2)n1-n1cccc1)NCc1ccccc1 5143010 QMWZWHDMNZYLQO-UHFFFAOYSA-N 395.532 3.847 0 40 GHAB CCOc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc(C)cc2)cc1 11024012 JSTPRXSSVZBUCN-QFIPXVFZSA-N 396.512 3.989 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2ccc(-n3nc(C)c(C)c3C)nc2)cc1OC 49407429 VDRQHQPQNFFWDT-OAHLLOKOSA-N 394.475 3.701 0 40 GHAB CCOC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc3ncsc3c1)CC2 77196329 DUFYAZXJKLDAPV-UHFFFAOYSA-N 388.474 3.520 0 40 GHAB CCCCn1nc(C(=O)Nc2ccc(N(C)C)cc2C)c2ccccc2c1=O 40111568 SCBMVEGSNMFUAB-UHFFFAOYSA-N 378.476 3.823 0 40 GHAB Cc1cnc2c(S(=O)(=O)Nc3cnc4c(cnn4C(C)C)c3)cccc2c1 32097924 BISKLEJKMGMRPB-UHFFFAOYSA-N 381.461 3.670 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cn2)o1 32102249 QLEPAGSKNKSKNH-UHFFFAOYSA-N 376.825 3.524 0 40 GHAB CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2[nH]1 7986643 XVUBIPVWJIPDHJ-VBKZILBWSA-N 394.450 3.568 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)c1 917182 QUDDBDYHXJDJNT-UHFFFAOYSA-N 377.473 3.864 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1 938887 KACVECNMTOXIRW-LJQANCHMSA-N 375.432 3.604 0 40 GHAB COc1ccccc1OC[C@H](O)CN(Cc1cccc(F)c1)Cc1ccco1 20720291 YRQRPAZVPWHWIZ-LJQANCHMSA-N 385.435 3.869 0 40 GHAB Cc1ccc(C)c(-n2c(SCC(=O)NCC(C)C)nnc2-c2cccnc2)c1 1362348 GZIFTSSKXWROCK-UHFFFAOYSA-N 395.532 3.810 0 40 GHAB Cc1cccc2cc(CN(CCO)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c12 1378142 SVLUXBIJKIOLRI-UHFFFAOYSA-N 385.851 3.516 0 40 GHAB COc1cc(NC(=O)CS[C@H]2CCc3ccccc3N=C2O)cc(OC)c1 11865839 WKMLDAFVIURECA-SFHVURJKSA-N 386.473 3.979 0 40 GHAB CN(Cc1ccccc1Br)S(=O)(=O)c1ccc2c(c1)CCC2 21473533 VXMGYTBSMSNTFZ-UHFFFAOYSA-N 380.307 3.759 0 40 GHAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H]1c1nnc2n1CCCCC2 46335320 SGYJPIBSLXNJPH-LJQANCHMSA-N 375.476 3.773 0 40 GHAB CCCN(CC1CC1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 6078773 MZSNFJFWRUEDCY-UHFFFAOYSA-N 378.929 3.876 0 40 GHAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)cc1 6564031 QYFPPDLLUJHVAC-UHFFFAOYSA-N 392.864 3.952 0 40 GHAB O=C(Oc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1cccs1 100395075 XHGZYNLGRJNQFF-QIKBGRHYSA-N 391.448 3.525 0 40 GHAB Nn1c(CCc2ccccc2)nnc1SCc1cccc(Br)c1 2766627 OAQCGDRHDLRNPL-UHFFFAOYSA-N 389.322 3.832 0 40 GHAB CSc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)N1CCCCCC1 26120478 IVTODWJDECYTHL-UHFFFAOYSA-N 398.594 3.749 0 40 GHAB C[C@@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)N1CCCC1 22264958 UVTPPYSPJOMHCY-LLVKDONJSA-N 380.311 3.942 0 40 GHAB O=C(CCc1nc(-c2ccco2)no1)Nc1ccc2c(c1)nc1n2CCCCC1 12535514 FGTNFCFIXZQITI-UHFFFAOYSA-N 391.431 3.977 0 40 GHAB O=C(Nc1cccc(Br)c1)c1cccc(CN2CCOCC2)c1 20488866 LWKNPGPNUDLXOG-UHFFFAOYSA-N 375.266 3.534 0 40 GHAB O=C(Cc1csc(-c2ncccn2)n1)NCc1ccc(Cl)cc1Cl 54045265 JJCGUKQATATCBO-UHFFFAOYSA-N 379.272 3.766 0 40 GHAB COc1cc(NC(=O)[C@@H](C)OC(=O)CCn2ccc3ccccc32)cc(OC)c1 23024611 GHMOSZOQVGZXAG-OAHLLOKOSA-N 396.443 3.619 0 40 GHAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN[C@H](c1ccc(F)cc1)C(C)C 23678072 ROBYMTKAGZZBHR-KNQAVFIVSA-N 389.467 3.764 0 40 GHAB Cc1ccc([C@H](NC(=O)CSc2nncn2-c2ccccc2)C2CC2)cc1 12538667 BQCLBDGTBGPWPS-FQEVSTJZSA-N 378.501 3.935 0 40 GHAB COC(=O)c1ccoc1COC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 24105694 SOCIWNZSGZSQKF-UHFFFAOYSA-N 375.377 3.770 0 40 GHAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(OCC(F)(F)F)nc1 24118468 KINVJLRTCQZQOH-UHFFFAOYSA-N 385.729 3.681 0 40 GHAB C[C@@H]1[C@@H](NC(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)CCC[C@H]1C 108882213 RQYHGRKSCNFSKA-SIFCLUCFSA-N 383.488 3.948 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(C)cc1 113967489 FNIYDHQDNVBGLY-DNVCBOLYSA-N 392.496 3.556 0 40 GHAB CN(C)C(=O)C1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 26456248 ROXXDOZXFKBINX-UHFFFAOYSA-N 395.503 3.608 0 40 GHAB O=C(CCNC(=O)c1ccco1)Nc1cc(Cl)ccc1N1CCCCC1 12606976 WALHMTOGAZZYGQ-UHFFFAOYSA-N 375.856 3.682 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1F 25089665 YBYAYKCQNHXKGC-UHFFFAOYSA-N 390.480 3.951 0 40 GHAB COc1ccc(Nc2nc(NCCc3cccs3)nc3nccnc23)cc1 35681972 CKMXERZNAUATGR-UHFFFAOYSA-N 378.461 3.888 0 40 GHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC1CCN(CC2CCCCC2)CC1 58378552 DOFLJPZCJFMUKZ-NRFANRHFSA-N 398.595 3.857 0 40 GHAB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)NCc1ccc(F)cc1 16763458 DRSCTKWVLLEPGD-LLVKDONJSA-N 386.477 3.880 0 40 GHAB CCOc1ccccc1NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 2466962 IZAUZKYKFKSAFZ-UHFFFAOYSA-N 379.441 3.869 0 40 GHAB O=C(COc1ccc(Cl)c2cccnc12)NC[C@@H]1CCN(c2ccccc2)C1 48367625 WATWDIBILOCUIQ-INIZCTEOSA-N 395.890 3.910 0 40 GHAB O=C(NCCCOCc1ccccc1)c1nn(-c2ccccc2)c2c1CCC2 12844991 FVTKWFAFEBMVQI-UHFFFAOYSA-N 375.472 3.698 0 40 GHAB CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1cc(OC)c(OC)c(OC)c1 12897645 VRJXLDVMSBIVCS-OAHLLOKOSA-N 390.505 3.722 0 40 GHAB Cc1cc(=O)c(C(=O)N(C)c2ccccc2)nn1-c1ccccc1C(F)(F)F 12983229 BYISLNKWKPWEJG-UHFFFAOYSA-N 387.361 3.836 0 40 GHAB Cc1ccc(CNC(=O)NCC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 12919578 AUPWBICMRKCOBI-UHFFFAOYSA-N 394.302 3.760 0 40 GHAB CCCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl 3615884 BRONWQKFMKQIEO-YBEGLDIGSA-N 387.819 3.793 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)COc3ccc(Cl)c(Cl)c3)ccc21 13000355 XNYGPBREUDKVTJ-UHFFFAOYSA-N 379.243 3.920 0 40 GHAB O=C(c1cn2cc(Cl)ccc2n1)N1CCN(c2cccc(Cl)c2)CC1 13690893 XVAXQSUKEYKBDW-UHFFFAOYSA-N 375.259 3.604 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)O[C@H](C(=O)NC3CC3)c3ccccc3)c2C)no1 49600823 NEZJZJMJFIUDNQ-FQEVSTJZSA-N 393.443 3.567 0 40 GHAB CC1(C)CC(=O)C2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)C1 5274409 RMRCGCWMACQJGR-OAQYLSRUSA-N 388.511 3.883 0 40 GHAB COc1ccc(C(C)=O)cc1NC(=O)c1ccccc1I 13946019 VBQCESZABVSKEA-UHFFFAOYSA-N 395.196 3.755 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1Cl 21143419 WYNCMBXGJGFWEO-AWEZNQCLSA-N 388.851 3.510 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@@H]2Cc3ccc(C)cc3C(=O)O2)sc(C)c1C 4540075 BBRJUNLTNUPQTI-HNNXBMFYSA-N 387.457 3.570 0 40 GHAB Cc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)Nc1ccc(F)cc1 17356097 WPTNNZLVHIBBIR-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB O=C(NCCCN1CCCC1=O)c1ccc(-c2nc3ccccc3s2)s1 14200996 TZFQNKKJQXTMPF-UHFFFAOYSA-N 385.514 3.767 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccnn1C1CCCC1 8724397 MUUBARWYZGBVFZ-GOSISDBHSA-N 396.491 3.545 0 40 GHAB O=C(Nc1nc2ccccc2s1)c1cc2c(=O)n3ccccc3nc2s1 6864999 RRKVLWUVMJSDTJ-UHFFFAOYSA-N 378.438 3.771 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1CC(C)C 8770735 NTVPROJROYZJKD-CQSZACIVSA-N 387.509 3.934 0 40 GHAB O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(Cl)c(Cl)c1 4986525 DQBDQVSOTXMOGE-UHFFFAOYSA-N 380.256 3.917 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5979359 UDIHMDIXAYSHAM-UHFFFAOYSA-N 397.349 3.867 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 15480008 IJFHYVRUILYFPV-INIZCTEOSA-N 379.508 3.762 0 40 GHAB CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1 7221596 MSQKKQMYJZYHMY-LLVKDONJSA-N 376.254 3.847 0 40 GHAB COc1ccc(-c2nc(C(=O)Oc3ccc4c(c3)OCO4)cs2)cc1OC 7402634 DRRRSSRDILMYEO-UHFFFAOYSA-N 385.397 3.775 0 40 GHAB CCCn1nnnc1CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7470415 RUSJJZPLLFTOBP-JTQLQIEISA-N 376.511 3.612 0 40 GHAB O=C(NCc1ccccc1-n1cccn1)N[C@H]1CCCOc2ccc(F)cc21 89813961 NBUUMPPAGJVNMU-SFHVURJKSA-N 380.423 3.725 0 40 GHAB CCOC(=O)c1sc2nnc(SCC(=O)c3ccc(Cl)cc3)n2c1C 19897378 HHZUSECDICSFRK-UHFFFAOYSA-N 395.893 3.904 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cnc2onc(CC(C)(C)C)c2c1 84169891 FGVYLHKMBCRSRP-UHFFFAOYSA-N 381.432 3.812 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 72293465 RVDTWLDPLXSBGC-ZDUSSCGKSA-N 375.494 3.512 0 40 GHAB Cc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3)CC2)cc1 20139278 ZBDGXGBBGAAWIX-OAQYLSRUSA-N 390.535 3.648 0 40 GHAB CC(C)C[C@H]1C[C@H](C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CC(=O)N1 95468817 ZJKZHLXSSAYGED-ICSRJNTNSA-N 396.535 3.934 0 40 GHAB O=C(CCc1ccc(C(=O)O)cc1)NCc1cc(Br)ccc1F 95424307 GWTSBGPRLBVMMD-UHFFFAOYSA-N 380.213 3.535 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)CCO2 24443278 PNRWSQURQMZELT-UHFFFAOYSA-N 381.350 3.918 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3C)CC1 27979488 UQVZMLNFTVSVLG-UHFFFAOYSA-N 377.488 3.766 0 40 GHAB O=C(NCc1ccccc1Cl)C(=O)NCC(c1ccccc1)c1ccccc1 408707020 IBOYTZLVSKWDRD-UHFFFAOYSA-N 392.886 3.905 0 40 GHAB C[C@@H](NC(=O)c1ccc2nc(C(F)(F)F)cn2c1)[C@@H]1OCCc2sccc21 553857900 RMRFKUFZLOQNRT-HWPZZCPQSA-N 395.406 3.847 0 40 GHAB COc1ccc2[nH]c([C@H]3CCN(Cc4cc(OC)c(OC)c(OC)c4)C3)nc2c1 35446800 VXSJUCIDUJPXJW-HNNXBMFYSA-N 397.475 3.587 0 40 GHAB biogenic,in-vitro CC(C)N1C[C@H](CCN2CCOCC2)[C@@](c2ccccc2)(C2CCCC2)C1=O 31761578 SOQCWIZPIOMVMH-LADGPHEKSA-N 384.564 3.704 0 40 GHAB Cc1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c2c(C)nn(C)c2n1 34862871 YJBWNUYOQFQFJL-GOSISDBHSA-N 376.464 3.589 0 40 GHAB Cn1nccc1[C@@H]1C[C@H](Nc2ncc3scc(Br)c3n2)CCO1 566483058 SSJWJGQUGPAMQQ-SKDRFNHKSA-N 394.298 3.520 0 40 GHAB CCN(CC)C(=O)CN1CCC[C@@H](c2ccc(Nc3ncccc3C)cn2)C1 72353265 NNIDNCGOWCWSTK-GOSISDBHSA-N 381.524 3.576 0 40 GHAB CC(C)Cn1ccc2c(NC(=O)Cn3nc4c(cc3=O)CCCCC4)cccc21 71286861 CZSYEKIBRBEHHL-UHFFFAOYSA-N 392.503 3.762 0 40 GHAB CC1CCN(c2nc(N)c(C(=S)Nc3ccc4ccccc4c3)c(=O)[nH]2)CC1 40385563 WNFKZRQDHJJCJV-UHFFFAOYSA-N 393.516 3.529 0 40 GHAB COc1ccc(CCCNC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225557778 VLGKRQHUMDSTKS-UHFFFAOYSA-N 383.517 3.741 0 40 GHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1 225693085 OOFUIZZJRTYEGU-MRXNPFEDSA-N 388.458 3.697 0 40 GHAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 223305211 FDTACBYSGZQZDF-MRXNPFEDSA-N 398.528 3.642 0 40 GHAB O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 574648300 YGBSUBBLTAGFQX-LAUBAEHRSA-N 398.438 3.928 0 40 GHAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)o1 222761210 BEPSRPRHGKDBDN-RTBURBONSA-N 393.468 3.951 0 40 GHAB CC(C)Oc1cccc(N(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)c1 220100235 RBXZJOWRIQQDLM-UHFFFAOYSA-N 396.896 3.532 0 40 GHAB COc1cccc(NC(=O)N2CC[C@]3(CC(=O)N(c4ccccc4C)C3)C2)c1 96238617 UBVKWHMYGBUHIS-QFIPXVFZSA-N 379.460 3.665 0 40 GHAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccnn2C)C1 257220677 DLRSOXUXVISPDO-HNNXBMFYSA-N 382.533 3.763 0 40 GHAB CO[C@H](C)CN(C)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 585082689 IMEILGMWBWMUGV-LLVKDONJSA-N 382.291 3.775 0 40 GHAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 257202138 AKQJVCYMGPJCCQ-BSRJHKFKSA-N 383.511 3.989 0 40 GHAB COc1cc(N2CCCC[C@H]2C)nc(NC(=S)N[C@H](C)c2ccccc2)n1 260720691 SWFQCKXNXVXKDY-HUUCEWRRSA-N 385.537 3.912 0 40 GHAB C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)N3CCCC4(CC3)CC4)c2)C1=O 626570051 HGDBSWMUYASRNH-OAQYLSRUSA-N 396.491 3.710 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)NCc1cc(C2CC2)n(C2CCCC2)n1 96104107 RKASHTYDGBMWSC-UHFFFAOYSA-N 393.484 3.502 0 40 GHAB CO[C@H]1CCCN(c2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2)C1 96122523 MCIPPCDKXGVTKU-IBGZPJMESA-N 394.924 3.897 0 40 GHAB Cc1ccc(NC(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1C 96374158 NVLNOOLANNQHOD-UHFFFAOYSA-N 390.480 3.913 0 40 GHAB CCN(C(=O)c1ccc2c(c1)nc(O)n2C1CC1)[C@@H](C)[C@H](O)c1ccccc1 854562882 ISGTVRHNGDQKKP-XOBRGWDASA-N 379.460 3.661 0 40 GHAB CCC(C)(C)NC(=O)c1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 55687324 SUSURESZAVKLFQ-GOSISDBHSA-N 380.444 3.845 0 40 GHAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\NC(=O)C(C)(C)C)C(=O)O 96316160 DWDBYIWGRYTBCB-DHDCSXOGSA-N 393.846 3.620 0 40 GHAB CC[C@@H](Nc1ncnc2cc(Cl)ccc12)c1ccccc1OCC(=O)NC 674248996 ZFWYSPVIBDRVOD-MRXNPFEDSA-N 384.867 3.971 0 40 GHAB O=C1NC(=S)N/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1013697 HISMUFMADMXOPE-VGOFMYFVSA-N 379.268 3.918 0 40 GHAB Cc1cc(NC(=O)CCN2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)no1 1452095 AGBNDBKPYDRVTQ-OTLSHVCWSA-N 383.429 3.604 0 40 GHAB CCCN1C(=S)N[C@H](c2ccccc2F)C(C(=O)Nc2cc(C)on2)=C1C 11202725 LCJNDVHVZYSNIX-QGZVFWFLSA-N 388.468 3.676 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 12088628 SIIXRFLKNGJEPK-QGZVFWFLSA-N 393.516 3.940 0 40 GHAB COc1ccccc1CN1CCC[C@H]([C@@H]2CN(C(C)=O)Cc3ccccc3O2)C1 12235568 VQOWNOUTBHBUHD-RDPSFJRHSA-N 394.515 3.717 0 40 GHAB COc1ccccc1CN(CCN(C)C)C(=O)Cc1coc2cc(C)ccc12 12238268 AERMNILYDRJXPC-UHFFFAOYSA-N 380.488 3.883 0 40 GHAB NS(=O)(=O)c1ccc(CCOC(=O)N(c2ccccc2)c2ccccc2)cc1 16488008 LNFADMBRHODGOB-UHFFFAOYSA-N 396.468 3.851 0 40 GHAB CC1CCN([C@@H](CNC(=O)c2ccc(Cn3ccnc3)o2)c2ccccc2)CC1 19496808 USVYRBPMRIWRHL-NRFANRHFSA-N 392.503 3.727 0 40 GHAB Cc1cc(C)cc(C2(CNC(=O)c3cc(CC(C)C)nn3C)CCOCC2)c1 19569578 WHILSOTVBJKSHA-UHFFFAOYSA-N 383.536 3.714 0 40 GHAB CN1CCCc2cc(C(=O)N3CCC[C@@H]3c3ccc(-c4cncnc4)cn3)ccc21 19688653 LPQYBDLRUVWIQK-HSZRJFAPSA-N 399.498 3.898 0 40 GHAB Cn1nc(C2CCN(C(=O)c3nsc(Cl)c3Cl)CC2)c2cccnc21 12186710 KROWYAVZGODWPJ-UHFFFAOYSA-N 396.303 3.751 0 40 GHAB COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Br)c1 6315979 IAWOGQJBNCNJDU-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)Cc2ccsc2)C1 1889148749 VQDAUOBHMCYAFP-AWEZNQCLSA-N 383.439 3.832 0 40 GHAB CCOc1cc(CN2CC[C@H](Oc3cccc(Cl)c3)[C@@](C)(O)C2)ccc1O 1848357343 JNYDOPBPIFEDKM-SFTDATJTSA-N 391.895 3.849 0 40 GHAB CCc1ncnc(N2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)c1F 1776009341 FAQPVOSPFGKHRK-RYUDHWBXSA-N 380.265 3.510 0 40 GHAB CCCSc1nnc(CNC(=O)c2cccc(OC)c2)n1-c1ccccc1 4059340 DNHOWKOWPMILCH-UHFFFAOYSA-N 382.489 3.708 0 40 GHAB O=C(CCCc1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2 4224578 HRTXYGHPXPYQOF-MUUNZHRXSA-N 397.475 3.735 0 40 GHAB CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 4380856 HDIMBGBZNAXQPS-HNNXBMFYSA-N 387.263 3.590 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2csc3c2CC[C@@H](C)C3)c1 4539937 PPFYCRIHTKETED-LLVKDONJSA-N 387.457 3.698 0 40 GHAB Cc1ccccc1C(=O)Nc1sc(SCC(N)=O)nc1-c1ccccc1 12442836 GUZRYGCZMBHOSJ-UHFFFAOYSA-N 383.498 3.948 0 40 GHAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(OC)cc2)o1 15881388 OXVOWUTXLMXFKQ-UHFFFAOYSA-N 376.416 3.901 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 2055803669 BEHRGZCQPCIPAM-GOSISDBHSA-N 392.837 3.508 0 40 GHAB Cc1nnsc1C(=O)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 36691541 NEGZRKFMQDFPLM-UHFFFAOYSA-N 385.449 3.837 0 40 GHAB Cc1cc(Nc2ccc(NC(=O)c3cnccn3)cc2)nc(N2CCCCC2)n1 49028142 ITAKPWSJPSVFNF-UHFFFAOYSA-N 389.463 3.561 0 40 GHAB O=C(NC1CCN(c2cnsn2)CC1)NC(c1ccccc1)c1ccccc1 585148688 BLIAWDUKJUZAOM-UHFFFAOYSA-N 393.516 3.596 0 40 GHAB O=S(=O)(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(F)c(Cl)c1 70640124 MXXALZLDOTWRBU-CQSZACIVSA-N 397.777 3.510 0 40 GHAB C[C@H]1CCc2sc(C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)cc2C1 30539773 JQFJVTHQRVORCJ-LPHOPBHVSA-N 384.545 3.676 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)CC(O)=N2 31817499 NBXAZWSFWRJSDY-GFCCVEGCSA-N 389.337 3.819 0 40 GHAB Cc1ccc(CCC2CCN(Cc3nn4c(=O)cc(C)nc4s3)CC2)cc1 29168520 RZCRJBHLUXCCIN-UHFFFAOYSA-N 382.533 3.613 0 40 GHAB CCc1ccc(OCc2nnc(SCC(N)=O)n2-c2cc(C)ccc2C)cc1 1328409 GGOIAUAYHSPULD-UHFFFAOYSA-N 396.516 3.603 0 40 GHAB COc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccc(C(C)(C)C)cc3)C2)n1 1344110 YFCUYUOSNZZINH-MRXNPFEDSA-N 382.508 3.946 0 40 GHAB Cc1cc(NC(=O)CCCC(=O)OCC(F)(F)C(F)F)cc(C)c1C(=O)O 2750739 IINMLHJHHFIINU-UHFFFAOYSA-N 393.333 3.554 0 40 GHAB CSc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C=C(C(=O)O)N2 101446951 MOWWOFLFVYVRKT-QGZVFWFLSA-N 394.456 3.562 0 40 GHAB O=C(c1cc2c(s1)CCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 20926498 PDOXWYRZBMQNOY-UHFFFAOYSA-N 381.423 3.613 0 40 GHAB CC(=O)NCc1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)s1 32548554 YFVZPAFSDBDBIG-UHFFFAOYSA-N 387.482 3.819 0 40 GHAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc4c(c3)OCC4)nnc12 4941472 GYTOKPMXHATETN-LHSJRXKWSA-N 381.501 3.956 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(C)cc3)sc2c1 6204297 LXTWVQVPZIFMTO-UHFFFAOYSA-N 384.486 3.690 0 40 GHAB C[C@H](O)C[C@@H]1CCCN1C(=O)Nc1cccc(COC[C@@H]2CCCCO2)c1 89895236 BZFQRPNBXIKNCX-VDGAXYAQSA-N 376.497 3.540 0 40 GHAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc(F)c(F)cc1F 52537535 DEOLPZJFZXQBTH-UHFFFAOYSA-N 383.801 3.518 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 8241537 VAMGJTYNDQXCNY-YOEHRIQHSA-N 381.501 3.820 0 40 GHAB O=C(CS(=O)(=O)Cc1ccccc1)NC(c1ccccc1)c1ccccc1 2734628 ASZQVRLDIRMFCO-UHFFFAOYSA-N 379.481 3.507 0 40 GHAB COC(=O)c1cn(CC(=O)N(C)[C@H]2CCCc3ccccc32)c2ccccc12 26362527 WJDUGGCYYLCSCI-FQEVSTJZSA-N 376.456 3.964 0 40 GHAB COc1ccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 59502358 BEJRMKCKJHNNCJ-UHFFFAOYSA-N 386.407 3.596 0 40 GHAB O=C(CSCC(=O)Nc1nc2c(s1)CCCCC2)Nc1ccc(F)cc1 22326014 HJQPJZTUPJMPCI-UHFFFAOYSA-N 393.509 3.862 0 40 GHAB Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c(N)n(Cc2cccnc2)c1C 12372577 HEZTVRYPMHJTNU-UHFFFAOYSA-N 375.881 3.617 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@H]1c1ccccc1OC 956242 SSLWAABHTFAVNL-IBGZPJMESA-N 390.443 3.806 0 40 GHAB C[C@H]1CCCCN1S(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 42745618 RCFDMBUQCVBBKV-ZDUSSCGKSA-N 397.928 3.780 0 40 GHAB CCCc1sc(C(=O)NCc2ccccc2NS(C)(=O)=O)cc1CC 58952259 MKEVBMZRXQWQML-UHFFFAOYSA-N 380.535 3.565 0 40 GHAB O=C1CN2C(SCc3ccc(Br)cc3)=Nc3ccccc3C2=N1 1389938 CQSIEEZKYSYNIC-UHFFFAOYSA-N 386.274 3.972 0 40 GHAB COc1ccc(-c2noc(C[C@](O)(c3ccccc3)C(F)(F)F)n2)cc1OC 24978983 SDNNTRRXWFXRGP-SFHVURJKSA-N 394.349 3.746 0 40 GHAB CCOC(=O)CCc1cc2c(c(Br)c1Br)OCC2 22005738 NHSSAHHBURYWBD-UHFFFAOYSA-N 378.060 3.642 0 40 GHAB in-vitro Cc1ccc(C)c(SCC(=O)OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 108869111 IGIORBKYTVMXGL-OWSLCNJRSA-N 375.534 3.880 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 25936075 RZOXZHHTQHGJSU-SFTDATJTSA-N 394.471 3.790 0 40 GHAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)cc1 12593785 XLZCNAWJOQYUIU-UHFFFAOYSA-N 399.520 3.961 0 40 GHAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1)S(=O)(=O)CC 113971552 IDAATYGRDIDZKO-KRWDZBQOSA-N 388.533 3.970 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(SC)c2)nc2cc(C)[nH]c2c1=O 57521926 NAQJUFKKPHQXDA-UHFFFAOYSA-N 388.518 3.506 0 40 GHAB Cc1ccc(C)c(NC(=O)c2sc3ncn(C[C@@H]4CCCO4)c(=O)c3c2C)c1 35673376 DSLRNUCILGINLO-HNNXBMFYSA-N 397.500 3.815 0 40 GHAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(O)c(C(=O)O)c1 20144802 QSZPYWOGGPHJPU-UHFFFAOYSA-N 394.221 3.649 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 12604659 FBZZPXFZDVEIAT-IRXDYDNUSA-N 386.517 3.914 0 40 GHAB NC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)s1 58327174 UIYJCHVFGBVCFG-GFCCVEGCSA-N 379.279 3.587 0 40 GHAB CCCn1c(NC(=O)c2nn(-c3ccccc3)cc2OC)nc2ccccc21 10652772 XVLYDELXQQYAMN-UHFFFAOYSA-N 375.432 3.893 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc2ccccc2cc1O 3308725 XSURXGLQAYMOQU-UHFFFAOYSA-N 395.411 3.707 0 40 GHAB CC(C)Sc1nc(SCC(N)=O)c2c3c(sc2n1)COC(C)(C)C3 2406323 HMERTKVDZWUAIX-UHFFFAOYSA-N 383.564 3.621 0 40 GHAB CC(C)[C@H](NC(=O)Cn1nnc(-c2ccccc2Cl)n1)c1cccs1 12804525 OPHNVCRNWFDQPJ-INIZCTEOSA-N 375.885 3.569 0 40 GHAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NCc1ccc(F)cc1 3444796 RXJOOSRKNDQMBU-UHFFFAOYSA-N 381.378 3.891 0 40 GHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)[C@@H](C)Sc1ccccc1 12905070 YNKYEEGRJOPNIZ-OAHLLOKOSA-N 390.936 3.986 0 40 GHAB Cc1cccc(C)c1OCC(=O)N1CCN(c2cc(C)c3ccccc3n2)CC1 13655508 KPLMWTANJJLGFW-UHFFFAOYSA-N 389.499 3.888 0 40 GHAB Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c(C(N)=O)c1-c1ccccc1 5127427 XHEKOUWCXUFASW-UONOGXRCSA-N 386.473 3.652 0 40 GHAB Cc1cccc(OCc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)o2)c1 5293840 XSXDRHLPIBPUKD-UHFFFAOYSA-N 394.456 3.566 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c1 6479972 IITXQIFGOIFWQN-UHFFFAOYSA-N 394.456 3.968 0 40 GHAB CCO/C(=C/c1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)O)CC 4579573 TXMWRYRUHXJCSI-ACCUITESSA-O 390.934 3.908 0 40 GHAB COc1cccc(Cn2c3ccccc3c3nc4n(c(=O)c32)CCCS4)c1 6669828 ULNQVEMBYAMWLM-UHFFFAOYSA-N 377.469 3.904 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cccc(C)c2)cc1 4711410 LYPGZRINBFVQQU-UHFFFAOYSA-N 395.484 3.532 0 40 GHAB C[C@H]1Cc2ccccc2N1CCS(=O)(=O)c1ccc(Br)cc1 5638218 DIPYRIIQRQEHTB-ZDUSSCGKSA-N 380.307 3.674 0 40 GHAB Cc1nc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c2ccccc2n1 6879122 PNPZCUWWXWJZQP-CYBMUJFWSA-N 392.484 3.794 0 40 GHAB CCc1ccc2nc(NC(=O)[C@@H]3CN(C(C)=O)c4ccccc4O3)sc2c1 6933851 KOPAUPAGSGQBFH-KRWDZBQOSA-N 381.457 3.611 0 40 GHAB CCCNC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1OC 6939512 AHKSIUIMBZMUOK-UHFFFAOYSA-N 397.884 3.681 0 40 GHAB O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1CCc1ccccc1 67257894 KKAHOKIJUPAMPG-UHFFFAOYSA-N 395.260 3.587 0 40 GHAB O=C1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)n2c(nc3ccccc32)N1 9109019 FYNYNBNYRMMIPX-AWEZNQCLSA-N 375.215 3.865 0 40 GHAB CCOCCCNCc1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 7360371 IXEPXWYDLQBGFY-UHFFFAOYSA-N 390.549 3.929 0 40 GHAB CCOc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1S(=O)(=O)N1CCCCC1 8072269 DHBJWHPRFPWCKK-MRXNPFEDSA-N 392.521 3.555 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 8265857 LICKJJTVDXHVMK-UHFFFAOYSA-N 389.521 3.902 0 40 GHAB O=C(N[C@H]1C[C@@H]1c1ccccc1)c1nn(-c2ccccc2C(F)(F)F)cc1O 71827916 XUEBPBYVLKEAPJ-HIFRSBDPSA-N 387.361 3.883 0 40 GHAB Cc1cccc(C(=O)Nc2nc(C)c(Br)cc2Br)n1 72307863 CREQRCAPSVBWAO-UHFFFAOYSA-N 385.059 3.871 0 40 GHAB CC(C)=CC(=O)Nc1ccc(CC(=O)NCCCN(C)c2ccccc2)cc1 72302729 URNGBYAAFCPUNU-UHFFFAOYSA-N 379.504 3.777 0 40 GHAB CCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1OC 22643575 GJXJYWQNEHQEHM-UHFFFAOYSA-N 388.851 3.909 0 40 GHAB CCOC(=O)[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C1(OCC)CCCC1 79110646 VANVTIBNTQMXPT-HNNXBMFYSA-N 387.398 3.716 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H]1COC2(CCCCCC2)O1 95992184 AAJXLQDTHVGHCZ-IBGZPJMESA-N 383.492 3.685 0 40 GHAB COc1ccc(NC(=O)CN[C@@H](C)c2nc(-c3cccnc3)cs2)cc1OC 95941310 VXXLDCCDYJLBQL-ZDUSSCGKSA-N 398.488 3.512 0 40 GHAB CS(=O)(=O)Cc1cccc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)c1 89484375 KDWKPOWZEQZITL-OAQYLSRUSA-N 385.529 3.859 0 40 GHAB CCN(C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)[C@@H](C)CO 513334093 DVIBOCGGJDWZHV-ZDUSSCGKSA-N 384.480 3.732 0 40 GHAB CC(C)Cn1ncc2cc(C(=O)N3CCC[C@@H]3COc3ccc(F)cc3)cnc21 513360918 WDABRRSCGCWCNM-LJQANCHMSA-N 396.466 3.910 0 40 GHAB Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)c1C 524734214 JELPUINCPVGOIZ-UHFFFAOYSA-N 381.465 3.593 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 408594431 RSOIHSLGVKMXPY-UHFFFAOYSA-N 383.420 3.639 0 40 GHAB COc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 39765875 OOGGBABHRWKARW-UHFFFAOYSA-N 380.532 3.965 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1 35312198 YFYPTMFHGVBZFL-UHFFFAOYSA-N 391.456 3.748 0 40 GHAB C[C@@H]1[C@H](c2ccccc2)[C@H]1c1nc(-c2cccc(S(=O)(=O)N(C)C)c2)no1 558362105 CSYKVTVMLKZTSX-XWIAVFTESA-N 383.473 3.504 0 40 GHAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)c2coc(C)n2)n1 72358294 YIXDUQXIXQQCRU-HXUWFJFHSA-N 377.444 3.955 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)c(Cl)c1 44845109 WKNWKVUUQKOOHN-UHFFFAOYSA-N 383.853 3.635 0 40 GHAB CC(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 40131568 UEUGTSUZEGBZAV-UHFFFAOYSA-N 375.465 3.813 0 40 GHAB COc1ccc(C(=O)N2CCN(C)CC2)cc1COc1ccccc1C(C)C 224233431 FRZLWGOAFWMEHI-UHFFFAOYSA-N 382.504 3.785 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)NCc2ccc(-n3cccn3)cc2)cc1 48064541 CMXFZHGZNUWILR-MDWZMJQESA-N 390.443 3.770 0 40 GHAB Cc1cc(S(=O)(=O)NCCc2ccc([C@H](C)O)s2)c(Cl)cc1Cl 225689106 JROYPOBOYODAQG-JTQLQIEISA-N 394.345 3.938 0 40 GHAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)c2ccc3c(c2)OCO3)C1 77200104 FSCGEIDJMRWQSY-IRXDYDNUSA-N 382.416 3.705 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 225157369 WZMHQCREDZHIGS-QFIPXVFZSA-N 396.531 3.880 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)S(=O)(=O)Cc1ccccc1C(F)(F)F 40105985 GEMHHPVBFHHPKK-ZENOOKHLSA-N 391.455 3.704 0 40 GHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)c(OC)c1 224793883 ZVBFGSCGWDPDCZ-OALUTQOASA-N 381.457 3.869 0 40 GHAB COCCN(Cc1ccsc1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 77200836 YSVDUGKVAZUADE-UHFFFAOYSA-N 393.452 3.745 0 40 GHAB CC1CCN(c2cc(Cl)nc(NC(=S)NCc3ccc(F)cc3)n2)CC1 225949602 YGFYQKNVAHIEBI-UHFFFAOYSA-N 393.919 3.992 0 40 GHAB COc1ccc(CCC(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1C 225825965 MPJBOMKWGXRESY-UHFFFAOYSA-N 385.851 3.956 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1NC(C)=O 225377176 LUZSIRCOUJHFET-UHFFFAOYSA-N 398.937 3.841 0 40 GHAB O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2cc3c(cc2o1)CCCC3 20412439 RKCSYSSDCMDJHN-UHFFFAOYSA-N 388.511 3.990 0 40 GHAB biogenic COc1ccc(S(=O)(=O)NCCOc2ccccc2C)c(Cl)c1Cl 223852421 JMJJPDSGHHGZNM-UHFFFAOYSA-N 390.288 3.668 0 40 GHAB Cc1ccccc1CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 223132436 BNJXLICFLKMULX-IBGZPJMESA-N 380.532 3.912 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2ccc3ccccc3c2)c(C)c1 223644188 UPTSDJMKCVPGOX-UHFFFAOYSA-N 385.485 3.823 0 40 GHAB COCCNC(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(N)c1 225450409 JVXYZHHVFSXVFK-UHFFFAOYSA-N 375.472 3.847 0 40 GHAB Cn1cnc2c(-c3cccnc3)nc(C3CCN(Cc4nccs4)CC3)cc21 96099945 ACPXUEBCYXYZIA-UHFFFAOYSA-N 390.516 3.866 0 40 GHAB O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1c[nH]nc1-c1ccccc1F 537383819 CIPJKOJAHGUMSV-AWEZNQCLSA-N 384.842 3.878 0 40 GHAB COc1ccccc1CC(=O)N1CCC(C)(c2nc(C)n3ccsc23)CC1 257226697 FLTHMMUHHSLSEH-UHFFFAOYSA-N 383.517 3.836 0 40 GHAB C[C@@H](NC(=O)N[C@H](C1CC1)[C@H]1CCCCO1)c1ccc(-n2cccn2)c(F)c1 654573313 ZHBGIHURHYFMBX-JSNMRZPZSA-N 386.471 3.719 0 40 GHAB C[C@@H](Cn1ncc2ccccc2c1=O)N[C@H](C)Cc1ccc2c(c1)CCCC2 657934396 AFLLHCQOCKRHJF-MSOLQXFVSA-N 375.516 3.885 0 40 GHAB Cc1ccc(S(=O)(=O)NCc2ccc([C@H](O)c3cccs3)s2)cc1C 90613672 GQLPOHCFMNJPGX-GOSISDBHSA-N 393.555 3.987 0 40 GHAB O=C([C@H]1COc2cc(F)ccc2C1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 626273911 MLMQNKZVHILXFO-SJLPKXTDSA-N 392.434 3.526 0 40 GHAB O=C(O)C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1 563585299 MDEKVDKRHDZOPU-OAHLLOKOSA-N 381.432 3.658 0 40 GHAB Cc1ccc(-n2nc3cc(Br)c(N)c(Br)c3n2)cc1 575415203 ZRFDPXRMHYEWCL-UHFFFAOYSA-N 382.059 3.836 0 40 GHAB O[C@]1(COc2ccc(F)cc2)COCCN([C@H]2CC[C@H](c3ccccc3)CC2)C1 585285027 BOYRRRRUNWGXRA-SSPYTLHUSA-N 399.506 3.994 0 40 GHAB CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@H]1C[C@H]1C)C2 585106657 DRIFFLSOLUZIPY-IEGUWTFLSA-N 378.520 3.822 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCC[C@H]1c1ccsc1 47734190 IYQPSBMKHBRIMN-SFHVURJKSA-N 380.473 3.722 0 40 GHAB CC(C)=C[C@@H]1[C@@H](C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)C1(C)C 69740087 ALCQNXZRLCIPBU-XLIONFOSSA-N 385.504 3.818 0 40 GHAB COc1ccc2c(c1)OC[C@@H](NC(=O)Cc1coc(-c3ccc(Cl)cc3)n1)C2 502881540 OGPQGZHXMBAIFG-INIZCTEOSA-N 398.846 3.666 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1cccc(N2CCCCC2=O)c1 5330059 PMYKFVGCALCPLT-UHFFFAOYSA-N 388.489 3.630 0 40 GHAB COc1ccc(-c2cc(C)nc(SCC(=O)NCc3ccccc3)n2)cc1 5744125 APBIZDFTKBTDPI-UHFFFAOYSA-N 379.485 3.869 0 40 GHAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCC2=O)cc1 11549306 LDYABAMHFYFACS-UHFFFAOYSA-N 377.366 3.883 0 40 GHAB C[C@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@H](C)O1 11922026 KTBJNTKZXKSNPM-ROUUACIJSA-N 375.472 3.848 0 40 GHAB C[C@H](C(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1)c1ccccc1 12220850 KFLQJTDOHQBTCO-ZDUSSCGKSA-N 385.418 3.572 0 40 GHAB COC(=O)c1ccc(CN(C)C[C@H](O)COc2ccc(C(C)(C)C)cc2C)cc1 13018283 GSAJJCYSXKSZFX-NRFANRHFSA-N 399.531 3.951 0 40 GHAB CN(C(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)s1)[C@H]1CCS(=O)(=O)C1 13021449 ISFPKINOQSMMGH-HEWZJLJBSA-N 395.933 3.727 0 40 GHAB COc1cc(C(=O)NCCSCc2ccccc2F)cc(OC)c1OC 13670663 KYOGESSXCJOMHA-UHFFFAOYSA-N 379.453 3.515 0 40 GHAB COc1ccc(C)cc1-n1nnnc1SCCOc1cccc(Cl)c1 15224626 MTHDHIUUWOGBLA-UHFFFAOYSA-N 376.869 3.804 0 40 GHAB O=C(OCc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1cccc(F)c1 15734158 VYUFSVWBFAPMMF-UHFFFAOYSA-N 387.436 3.695 0 40 GHAB CC(C)(C)C(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 19081513 VWPNPQKQEUTGSI-UHFFFAOYSA-N 398.482 3.939 0 40 GHAB Cc1cccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@@H]4N2Cc2cnn(C)c2)c1 19235335 IZYRSJSXUHPEAL-NQIIRXRSSA-N 384.487 3.700 0 40 GHAB COc1ccccc1CN1C[C@@H](c2cc(=O)[nH]c(C)n2)[C@H](c2ccccc2F)C1 19285540 UJMDJBGACIFKSZ-RBUKOAKNSA-N 393.462 3.609 0 40 GHAB C[C@H](C(=O)N1CCC(n2nc(-c3cccs3)oc2=O)CC1)c1ccccc1 19459120 RZGYNDRRFIGHAP-AWEZNQCLSA-N 383.473 3.532 0 40 GHAB CC(C)n1c([C@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)nc2ccccc21 19717320 NRENTXPXDGORLK-KRWDZBQOSA-N 392.503 3.945 0 40 GHAB COc1cccc(NC(=O)N2CC(Cc3ccccc3Br)C2)n1 626603947 GDYNFABMHMJEAE-UHFFFAOYSA-N 376.254 3.559 0 40 GHAB CCn1ncc(CN2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)c1C 12120859 ATMAPPACHOIOQA-UHFFFAOYSA-N 395.555 3.513 0 40 GHAB COc1ccc(CN2CCCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)cc1OC 12337786 QGFIQBRIKPSSLT-SFHVURJKSA-N 396.491 3.796 0 40 GHAB CC(C)c1ccc(C2(C(=O)N3CCC[C@H](N4CCNC4=O)C3)CCCC2)cc1 594587497 NTTOCQMOUCYVDQ-FQEVSTJZSA-N 383.536 3.638 0 40 GHAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 36397727 NMDGUYSQPZUYSU-LJQANCHMSA-N 387.505 3.573 0 40 GHAB CCc1nccn1CC(=O)N1CCC[C@]12CN(c1ccc(F)cc1)C(C)(C)C2 2037978077 WSPFQJBKXKEFQU-QFIPXVFZSA-N 384.499 3.635 0 40 GHAB C=CC(=O)Nc1cccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 1542666008 CLMURWXCDLIHLG-UHFFFAOYSA-N 379.391 3.578 0 40 GHAB CCOc1ccc2nc(N(CCN(C)C)C(=O)c3cccs3)sc2c1 4359145 ZFBSSXNTDCZIOW-UHFFFAOYSA-N 375.519 3.965 0 40 GHAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccc(C)c2)c2ccco2)cc1 4519104 ZXTBIZHHNKDSKL-HXUWFJFHSA-N 383.469 3.841 0 40 GHAB Cc1ccc(-c2noc(-c3nnn(-c4ccc(Br)cc4)c3N)n2)cc1 6868187 FKHUIULQZMPIIV-UHFFFAOYSA-N 397.236 3.637 0 40 GHAB Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2ccc(F)cc2F)c1 7509166 OJFJXBXCMIWZFM-UHFFFAOYSA-N 392.365 3.620 0 40 GHAB O=C(NC[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1)Nc1cccc(Cl)c1 9066724 QEAMURNJAMYWQL-CQSZACIVSA-N 375.831 3.649 0 40 GHAB CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 10252636 FZTGCXZJDKXSRI-UHFFFAOYSA-N 390.461 3.534 0 40 GHAB Cc1cc(C(=O)N(CCCN(C)C)c2nc3ccc(Cl)cc3s2)n(C)n1 12229352 MAWKTMTWMCZNAV-UHFFFAOYSA-N 391.928 3.590 0 40 GHAB Cc1nc(-c2ccc(S(=O)(=O)NCc3ccc(-c4ccco4)nc3)cc2)co1 225753763 XCTBZZRYXLWMPG-UHFFFAOYSA-N 395.440 3.784 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccsc2)c2cccs2)cc1 575415042 WXGNTYCUXMZNTI-INIZCTEOSA-N 393.511 3.664 0 40 GHAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)OCC(=O)NC(C)(C)C)sc2n1 7224737 RHBPOISEWATDCC-UHFFFAOYSA-N 385.489 3.775 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1 10427950 DCEYDQPZEGMGGZ-UHFFFAOYSA-N 391.452 3.681 0 40 GHAB O=C(Oc1ccc2c(c1)OCO2)c1ccc(CNC(=O)c2cccs2)cc1 40128261 SERCXWXDBQKHBY-UHFFFAOYSA-N 381.409 3.626 0 40 GHAB O=C(NC[C@H]1CCCO1)c1ccccc1Sc1ccc(Br)cn1 40149001 NCEHDGRZUWQQAA-CYBMUJFWSA-N 393.306 3.904 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)COc2ccccc2)cc1OCC 16753883 BPCYLTLCWGNCCT-UHFFFAOYSA-N 383.404 3.552 0 40 GHAB O=C1Nc2ccc(F)cc2[C@]12CC(O)=Nc1c2cnn1-c1ccc(Cl)cc1 20735690 LAXPYIKUILOCLC-IBGZPJMESA-N 382.782 3.895 0 40 GHAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)OCCCc1ccccc1 6061074 ONOWRHLEDKOMRQ-UHFFFAOYSA-N 378.457 3.774 0 40 GHAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1 6238896 UPEVJZKKKVHQEB-UHFFFAOYSA-N 385.489 3.807 0 40 GHAB CCCCCCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 32738575 JEZKQKMVBSWNRG-UHFFFAOYSA-N 395.341 3.998 0 40 GHAB CCCn1nnnc1NCc1cccc(OC)c1OCc1ccccc1Cl 7263459 SHINJTFCHURZSH-UHFFFAOYSA-N 387.871 3.936 0 40 GHAB CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 2647712 NYXYIZUGQYTZPC-HSZRJFAPSA-N 392.455 3.572 0 40 GHAB CCOc1cc(CNn2cnnc2)cc(Cl)c1OCc1ccccc1F 7602496 NUTPHNUMHIRSIA-UHFFFAOYSA-N 376.819 3.792 0 40 GHAB Cc1noc(C)c1COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 7978059 PUQBIAMAANHHSC-UHFFFAOYSA-N 380.400 3.529 0 40 GHAB Cc1ccccc1[C@H](OC[C@@H](O)CN1CCCC[C@@H]1CCO)c1ccccc1 2630979 VESGNTBUUJOFAR-AOHZBQACSA-N 383.532 3.699 0 40 GHAB C[C@@H](C(=O)Nc1cc(F)ccc1F)n1c(=O)c(C(F)(F)F)nc2ccccc21 32801711 RIMUAYNEQLHDSO-VIFPVBQESA-N 397.303 3.893 0 40 GHAB CCOc1ccc(-c2nc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1 32817953 BARUOMZXBFUQCW-UHFFFAOYSA-N 380.429 3.631 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)NCCCN3CCC(C)CC3)c12 32895906 MWYVQRBUQWSUER-UHFFFAOYSA-N 382.464 3.643 0 40 GHAB C[C@@H]1CCCN(C(=O)CN2N=C(C(C)(C)C)Cn3c(cc4ccccc43)C2=O)C1 57720518 NOMMHRDYXBLYOE-MRXNPFEDSA-N 394.519 3.758 0 40 GHAB COc1ccc2cc(COC(=O)c3ccc([S@](C)=O)cc3)c(Cl)nc2c1 21648214 OULCGSLTMGYOOL-AREMUKBSSA-N 389.860 3.991 0 40 GHAB CSCC[C@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)c1nc2ccccc2[nH]1 32990904 BPZSKSMRKUXRCA-ZWKOTPCHSA-N 395.484 3.775 0 40 GHAB COc1cc(OC)c(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1OC 10544579 BQMSTKTXNWKDCI-CQSZACIVSA-N 395.459 3.609 0 40 GHAB C[C@@H](CC(=O)[C@H]1CC(c2ccccc2)=NO1)C(=O)[C@H]1CC(c2ccccc2)=NO1 102676692 MHGINERDKHNSHR-ITEAAPOESA-N 390.439 3.537 0 40 GHAB COc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2C2CC2)c1 8232385 RMILZYZAVFMICG-ZDUSSCGKSA-N 395.488 3.803 0 40 GHAB O=C(NCc1ccco1)c1ccccc1NC(=S)NC(=O)C1CCCCC1 12138160 OFRIGJFETHISQV-UHFFFAOYSA-N 385.489 3.603 0 40 GHAB Cc1nc2cc(F)cc(C(=O)OCc3nc4ccccc4nc3C)c2nc1C 53956897 QYJSUVVNGZFLMY-UHFFFAOYSA-N 376.391 3.994 0 40 GHAB CC(C)(C)c1nc(CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cs1 47348894 ZLBISCVUKONEEU-INIZCTEOSA-N 382.489 3.585 0 40 GHAB CC(C)(C)c1ccc(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cc1 54103781 DBCBUNVPVJTCOA-UHFFFAOYSA-N 381.519 3.535 0 40 GHAB CC(C)CC[C@]1(C)NC(=O)N(Cc2noc(-c3ccc(Cl)cc3)n2)C1=O 47347712 DTZWUFDOYRKBNA-SFHVURJKSA-N 376.844 3.637 0 40 GHAB O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccco1)C2)Nc1ccccc1C(F)(F)F 100127931 GKKWZHNUHGVINW-ZIAGYGMSSA-N 394.393 3.752 0 40 GHAB O=C1CC[C@]2(C(=O)Nc3ccc4c(c3)OCO4)Sc3ccc(Cl)cc3N12 58162432 SFTSVKUHAUGMAQ-GOSISDBHSA-N 388.832 3.636 0 40 GHAB Cc1ccc([C@H](C)C(=O)NC[C@H]2CC[C@H](c3n[nH]c4nccnc43)CC2)cc1 100213906 AGUIISVTRGVVBB-XYJFISCASA-N 377.492 3.855 0 40 GHAB COC(=O)C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1cccs1 24987274 ZMOWLZQFNCJXNC-OAHLLOKOSA-N 384.457 3.756 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c(C)c2c1 101850175 JFVXXFIRLHPRNA-ATNYBXOESA-N 385.460 3.848 0 40 GHAB CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1 25146331 NQQRKJOWFWMJST-UHFFFAOYSA-N 376.460 3.536 0 40 GHAB O=C(Nc1cnc2ccccc2c1)C1(S(=O)(=O)c2ccccc2)CCCC1 25157450 ACFWUWUZOHCBES-UHFFFAOYSA-N 380.469 3.960 0 40 GHAB COc1cc2ncnc(NC[C@@H](O)c3ccc4ccccc4c3)c2cc1OC 1405994 APFXUOIBPCBSTB-LJQANCHMSA-N 375.428 3.946 0 40 GHAB COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 1448350 VNBAQMZZZBWBIB-CYBMUJFWSA-N 393.270 3.671 0 40 GHAB CCOC(=O)C1CCN(C(=O)[C@H](C)Nc2ccc3c4c(cccc24)CC3)CC1 12593188 HFOZYOOABMSVTI-HNNXBMFYSA-N 380.488 3.541 0 40 GHAB COc1ccc2cc(C(=O)N3CCN(c4cccc(C)c4)CC3)c(C)nc2c1 12555883 DEHWMXGSABSNLV-UHFFFAOYSA-N 375.472 3.823 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cccc(SC)c2)c(-c2ccc(F)cc2)n1 57508707 YDWFERANICZYDC-UHFFFAOYSA-N 397.475 3.972 0 40 GHAB Cc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1 20121775 DEJFVJKGSUXMJK-JOCHJYFZSA-N 394.567 3.746 0 40 GHAB C[C@H]1Cc2cc(S(=O)(=O)NC3CCCCC3)ccc2N1C(=O)c1ccccc1 28206766 MCOJRMZWFIGUTK-INIZCTEOSA-N 398.528 3.889 0 40 GHAB O=C(CSc1ncnc2ccsc12)Nc1ccc2c(c1)OC(F)(F)O2 22004685 XGUGUUAPZZLHRX-UHFFFAOYSA-N 381.385 3.744 0 40 GHAB Clc1nc(N2CCN(C3CCCCC3)CC2)c2cnn(-c3ccccc3)c2n1 2074735 ZESLRNODPYKANV-UHFFFAOYSA-N 396.926 3.924 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@H]1c1ccc(OC)cc1 12655538 DGRGQYKWFHISQE-SFHVURJKSA-N 396.834 3.539 0 40 GHAB Cc1sc2ncnc(N3CCC(C(=O)N[C@@H](C)c4cccnc4)CC3)c2c1C 10056937 DKMIFFKIPNSYEM-AWEZNQCLSA-N 395.532 3.797 0 40 GHAB CCOC(=O)CCCCCCNC(=O)NCC(C)(C)c1ccc2c(c1)OCO2 58195393 FWNNKDXXYDVRFW-UHFFFAOYSA-N 392.496 3.506 0 40 GHAB Cc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CO[C@H](C(C)C)C4)cc1 2248600 TXICBMHRTHLCFK-INIZCTEOSA-N 394.500 3.809 0 40 GHAB COc1cc(CNC(=O)c2cc(F)cc(F)c2)ccc1OCc1ccncc1 48345093 YNIOKHAVWGDLQB-UHFFFAOYSA-N 384.382 3.877 0 40 GHAB CC(C)c1ccc(-c2nc(C(=O)N(C)CC(=O)NCc3ccco3)cs2)cc1 12824581 QLMVVLQOLTUCBJ-UHFFFAOYSA-N 397.500 3.915 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cccc(Cl)c1Cl 12928413 QNAMPIWACHKBGM-UHFFFAOYSA-N 396.299 4.000 0 40 GHAB Cc1ccc2nc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)cc(=O)n2c1 12922377 AXPTVKBQOGKPLI-UHFFFAOYSA-N 391.471 3.676 0 40 GHAB C[C@H](Cc1nc2ccccc2s1)NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 63450350 COENOCOUONXPRJ-HIFRSBDPSA-N 399.541 3.710 0 40 GHAB CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccccc1OC 13788332 PMONPMIIDMHXFL-UHFFFAOYSA-N 394.471 3.988 0 40 GHAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccn2)C12CCCC2 71283628 GRKNVSRBOFMBEF-OAQYLSRUSA-N 391.515 3.906 0 40 GHAB CC(=O)c1cn(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)c2ccccc12 39768174 UXQFDKRHVLAQDF-HNNXBMFYSA-N 392.455 3.883 0 40 GHAB Cc1ccccc1OCc1nn2c([C@@H]3COc4ccccc4O3)nnc2s1 4384008 HSYQSTFLUAQHKY-INIZCTEOSA-N 380.429 3.586 0 40 GHAB Clc1ccc(-c2nc(CN(C[C@@H]3CCCO3)C[C@H]3CCCO3)no2)cc1 65491020 HBZWHDOSIQJLPB-CALCHBBNSA-N 377.872 3.550 0 40 GHAB Cc1ccc([C@@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 8716653 PFSXTZZORGDTAA-AOMKIAJQSA-N 393.512 3.960 0 40 GHAB Cc1cccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)c1 14103539 HITMPEUFQUKUEQ-UHFFFAOYSA-N 378.544 3.939 0 40 GHAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCc1ccc2c(c1)OCO2 14138475 KGXDDJIASAYNLA-UHFFFAOYSA-N 394.475 3.607 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 4502799 SDTFAFMKYHZAAS-JTQLQIEISA-N 378.881 3.785 0 40 GHAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 408553632 ARLYCKFGFWONHN-NSHDSACASA-N 387.288 3.787 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(Cn2ccnc2)c1 25174355 XLAWXLUULWCVLN-UHFFFAOYSA-N 379.508 3.972 0 40 GHAB CC(C)OC(=O)CCC(=O)Nc1cc(Br)ccc1Br 5481859 XWYUTVAJHMVLGJ-UHFFFAOYSA-N 393.075 3.882 0 40 GHAB Cc1ccccc1OCCN(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 14319451 KTFPNYNIMIBSRU-UHFFFAOYSA-N 393.487 3.890 0 40 GHAB CCn1c2ccccc2c2cc(NC(=O)C[C@H](C)CC(=O)NCCOC)ccc21 4676597 UVCNLWNZHXWUGW-MRXNPFEDSA-N 395.503 3.932 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1nc2scc(C)c2c(=O)[nH]1 4735894 REZMJGLESLEKHU-UHFFFAOYSA-N 395.893 3.686 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1C 408652487 OSYFXQXOQLSRIU-IBGZPJMESA-N 379.456 3.699 0 40 GHAB COc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc(Cl)c1OC 6862697 JUWHLFVXEUXLRK-INIZCTEOSA-N 392.883 3.907 0 40 GHAB O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(Br)s1 5985619 ZXHRJQWQHIFTEW-UHFFFAOYSA-N 384.223 3.913 0 40 GHAB C[C@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1cccs1 7161967 UHFQKVNKGJNLRN-JTQLQIEISA-N 380.520 3.774 0 40 GHAB COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20152564 SAYMLLBPFKZDRL-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB CCNC(=O)[C@@H](C)NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 7645144 STQAJXUOZJDWDK-KUHUBIRLSA-N 390.936 3.803 0 40 GHAB Cc1nc(SC[C@H]2CN=C(N3CCOCC3)S2)n(C2CCCCC2)c1C 84051859 JUQQUTXBXCAATR-QGZVFWFLSA-N 394.610 3.901 0 40 GHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1ncc(-c2ccc(F)cc2)o1 9861590 KLEWABGFKJRCOY-QFIPXVFZSA-N 391.402 3.764 0 40 GHAB CC(C)CCc1noc(CCCN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)n1 95394420 KLLTZFBICBNNTE-QFIPXVFZSA-N 396.491 3.590 0 40 GHAB Cn1c(SC[C@H]2CO[C@@H](c3ccc(Cl)cc3)O2)nnc1-c1cccnc1 95448424 WJNZCGPPQDUHCH-NVXWUHKLSA-N 388.880 3.737 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1OC 20049985 AIVIKHOAPNLWJA-ZDUSSCGKSA-N 391.489 3.518 0 40 GHAB CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc3ncccc3c1)c1c[nH]c3cccc(c13)N2 1547139465 QLZBJGPVUSLNRN-NRFANRHFSA-N 394.434 3.916 0 40 GHAB biogenic CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2O[C@@H](C)CC)C1=O 409015226 YZCJUZIZHCSRMD-NGTWCYAPSA-N 377.462 3.852 0 40 GHAB CCOc1ccccc1CCCNC(=O)c1ccc(CN2CCCC2=O)cc1 30756126 CDWFDSVDUXDSGE-UHFFFAOYSA-N 380.488 3.570 0 40 GHAB O=C(C[C@H](c1ccsc1)n1cccc1)N1CCC[C@H]1c1nnc2ccccn12 524735601 MMXHULVSPGTVEG-ZWKOTPCHSA-N 391.500 3.936 0 40 GHAB Cn1c(=O)sc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 225019304 ZEEUKJPDOODESG-UHFFFAOYSA-N 383.256 3.924 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 224253310 PRIRUSMTMCONHQ-QFIPXVFZSA-N 396.531 3.934 0 40 GHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 223492490 IMBGFWDUNDAQLV-OAQYLSRUSA-N 396.531 3.587 0 40 GHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 224082953 BOLFLQMOWOXNFL-LJQANCHMSA-N 398.572 3.906 0 40 GHAB O=C(c1ccccc1)N1CC[C@H](CS(=O)(=O)c2ccc(Cl)cc2Cl)C1 575433311 NDBJEWNKBSYKMZ-ZDUSSCGKSA-N 398.311 3.929 0 40 GHAB Cc1nc2nc(S[C@H](C)C(=O)Nc3ccccc3Cl)nn2c(C)c1C 40119196 CERHENXXGKWGGQ-GFCCVEGCSA-N 375.885 3.822 0 40 GHAB COc1cccc2sc(N3CC(OC(=O)c4nc5ccccc5s4)C3)nc12 77200601 ZTQSRXKZUHAHKF-UHFFFAOYSA-N 397.481 3.960 0 40 GHAB CC(C)(CNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)c1cccnc1 576958872 XUOYKPKLDQYTMQ-NJYVYQBISA-N 379.504 3.573 0 40 GHAB O=C(NCc1ccco1)c1ccn(-c2ccc3ccc(-c4cccnc4)cn23)n1 96155346 IDZYANRZLQBDBZ-UHFFFAOYSA-N 383.411 3.710 0 40 GHAB Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)nc(O)n1 257258351 KTLXXMLAMOLINF-GOSISDBHSA-N 396.422 3.576 0 40 GHAB Fc1ccc(CN2CCO[C@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)cc1 257275473 NPOLPRXMUIBQID-QFIPXVFZSA-N 399.441 3.883 0 40 GHAB COc1ccccc1-c1nc2sc(=Cc3cccc4ccccc34)c(=O)n2n1 252477686 UBSJUHRSXCPRKA-UHFFFAOYSA-N 385.448 3.528 0 40 GHAB CCn1c(=O)n(CC)c2cc(-c3cc(-c4ccc(O)c(OC)c4)n(C)n3)ccc21 257275027 NNQXZYHJKUOFJJ-UHFFFAOYSA-N 392.459 3.625 0 40 GHAB C[C@@H](Sc1nc(C(C)(C)C)co1)C(=O)c1ccc(NS(C)(=O)=O)cc1 1190284607 ZGTXSLVUMBNNNF-LLVKDONJSA-N 382.507 3.707 0 40 GHAB CCN(C(=O)c1nnn(C(C)(C)C)n1)[C@H](c1ccc(Cl)cc1)c1ccccn1 668663602 KYPPHTROZKLBTO-QGZVFWFLSA-N 398.898 3.728 0 40 GHAB CN1CCC[C@H](CNC(=O)Cc2cscn2)[C@H]1c1ccc(C(F)(F)F)cc1 668877652 STBKYAPYOCLMBM-RDTXWAMCSA-N 397.466 3.904 0 40 GHAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(CCc2ccccc2)C1 585262554 SLDPIOOKMSRBQD-XMMPIXPASA-N 389.499 3.565 0 40 GHAB CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(F)cc1 11615404 IRWAQYPRTFVLPD-IBGZPJMESA-N 398.409 3.568 0 40 GHAB CO[C@H](C(=O)N1CCC[C@@H](c2ncncc2-c2cc(C)no2)C1)c1ccccc1 12118416 ZWBKPSROYNQVAN-UTKZUKDTSA-N 392.459 3.534 0 40 GHAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2ccncc2)cc1 12145576 XXPAILZUGLDSOW-LJQANCHMSA-N 376.460 3.719 0 40 GHAB Clc1ccc(-c2[nH]ncc2CNC[C@H]2CN(Cc3ccccc3)CCO2)cc1 12569673 SXPMKLRVCDHCBL-NRFANRHFSA-N 396.922 3.721 0 40 GHAB Cc1cc2nc(C3CCN(C(=O)C4CCCC4)CC3)cc(C(F)(F)F)n2n1 13226834 NWXSWFQIDZITOV-UHFFFAOYSA-N 380.414 3.953 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13685494 WJBVFBOFRNSVBU-INIZCTEOSA-N 392.455 3.622 0 40 GHAB CC(C)C(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(C)(=O)=O)C[C@@H]1C 14607288 HZGNBFCYRNEQEU-OXJNMPFZSA-N 386.517 3.975 0 40 GHAB CCOC(=O)c1c(NC(=O)COc2cncc(Cl)c2)sc2c1CCCC2 17117907 DATUZJUROWCWJS-UHFFFAOYSA-N 394.880 3.870 0 40 GHAB COc1c(C)cccc1CN1CCC[C@H]([C@@H](NC(=O)C2CC2)c2ccccn2)C1 19235945 OEQRTXAFJKWUBA-SIKLNZKXSA-N 393.531 3.878 0 40 GHAB CC(C)Oc1ccc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1 19450580 AITRSFFJMMJJPY-IBGZPJMESA-N 390.487 3.609 0 40 GHAB CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@H]4CCCO4)C3)noc2n1 19521945 JCSKQDLCWWPYJN-BXUZGUMPSA-N 397.397 3.689 0 40 GHAB CCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 19533266 BCTVJMDFHXEUTE-OAQYLSRUSA-N 390.487 3.958 0 40 GHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)n1 19572935 GMEKEFHITCWZCQ-OAHLLOKOSA-N 382.439 3.830 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cscn3)cc2N1 19574839 VQRSPEPMUNWTCE-OASPWFOLSA-N 385.415 3.624 0 40 GHAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CCCN2C(=O)c2cccc(F)c2)n1 19585313 ATUOCGULUJIVCG-LJQANCHMSA-N 391.450 3.721 0 40 GHAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)[C@@H](c1ccccc1)N1CCCC1 19659656 PPSOBANYCIBJEO-OAQYLSRUSA-N 378.451 3.846 0 40 GHAB O=C(c1cccnc1)N1CCC[C@@H]1c1cc(CCOc2ccc(F)cc2)[nH]n1 19703599 GCXJRNMIZKLNRK-HXUWFJFHSA-N 380.423 3.543 0 40 GHAB O=C(c1ccccc1)N1CC[C@H](c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1 19704428 NUAXCSMLLZZFIK-KRWDZBQOSA-N 398.470 3.595 0 40 GHAB Cc1cc(C(=O)Nc2cc(-c3csnn3)ccc2C)c2c(C)nn(C)c2n1 19716303 OSZGNGZGXMVAER-UHFFFAOYSA-N 378.461 3.664 0 40 GHAB CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1ccccc1C(F)(F)F 206733664 SLQPPXHISAUPGY-UHFFFAOYSA-N 393.413 3.804 0 40 GHAB O=C(O)c1ccc(-c2ccc(/C=C/c3cc(C(F)(F)F)[nH]c(=O)n3)o2)cc1 165574504 KHKKACPQDCCMOC-AATRIKPKSA-N 376.290 3.917 0 40 GHAB COc1cc(NC(=O)COc2ccc(Cl)c(C)c2)cc2sc(N)nc12 226312517 FPFLLEIEJUDLDU-UHFFFAOYSA-N 377.853 3.866 0 40 GHAB COc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1-c1ccc(C(=O)O)o1 226351255 GEWYIPKQRUXHML-UHFFFAOYSA-N 376.434 3.513 0 40 GHAB Cc1cccc(N2[C@H]3CCN(CC(N)=O)C[C@H]3C[C@@]2(C)Cc2ccc(F)cc2)c1 257317081 VIHWZLVUKSCDSM-WNOPAQSVSA-N 395.522 3.521 0 40 GHAB Cc1sc2nc([C@@H](C)Sc3nnc4n3CCCCC4)[nH]c(=O)c2c1C 6098055 VDSFDIIBMBPEPT-LLVKDONJSA-N 375.523 3.773 0 40 GHAB CCCOc1c(Cl)cc(C(=O)N2CCN(c3nccs3)CC2)cc1OC 10674586 CQRFBCQYCCUJDO-UHFFFAOYSA-N 395.912 3.556 0 40 GHAB CC(C)N1CC[C@H](N2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)C1=O 1888876157 TYLKJCKEXDLCIK-PBHICJAKSA-N 388.512 3.533 0 40 GHAB COc1cccc(C(=O)N2CC(n3c(C(C)C)nc4ccccc43)C2)c1OC 1888947721 QYNSPTAMXUSIOI-UHFFFAOYSA-N 379.460 3.874 0 40 GHAB COc1ccc(CCNC(=O)COc2cc(Cl)ccc2Cl)cc1OC 2596069 NYVORABWKFJYDU-UHFFFAOYSA-N 384.259 3.748 0 40 GHAB biogenic O=C(COc1coc(CN2CCCc3ccccc32)cc1=O)Nc1ccccc1 4304336 SKRDJKLRYXKMIK-UHFFFAOYSA-N 390.439 3.610 0 40 GHAB Cc1ccc(N2C[C@H](NC(=O)Nc3cccc(Br)c3)CC2=O)cc1 5123517 MIYSPMXTYPUTIL-OAHLLOKOSA-N 388.265 3.685 0 40 GHAB COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1cccc(Cl)c1C 7457240 WBDVHRIFUVTKJR-UHFFFAOYSA-N 383.835 3.764 0 40 GHAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)cc1 8843851 KXMUTWLIMONUSH-IBGZPJMESA-N 381.501 3.744 0 40 GHAB CC(C)(C)NC(=O)N1CCC(CNc2ncnc3ccc(Cl)cc23)CC1 1775972816 XBBZNFZIYNZNIQ-UHFFFAOYSA-N 375.904 3.915 0 40 GHAB O=C(NCC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1)c1ccccc1 206990631 JFZIVCWZRAUVGS-GOSISDBHSA-N 388.920 3.777 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccco4)o3)CC2)c(C)c1 35597690 WHCFPKWLQDWTKH-UHFFFAOYSA-N 387.461 3.515 0 40 GHAB Cc1nn(CCNC(=O)c2cnn(-c3ccccc3)c2C)c(C)c1-c1ccco1 575616250 YEEILRAVWNWBPF-UHFFFAOYSA-N 389.459 3.684 0 40 GHAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1csc(-c2ccccc2)n1 206704722 LPMDMLXLWCNEAI-SFHVURJKSA-N 392.402 3.990 0 40 GHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2ccccc2Cl)c2ccc(Cl)cc21 100485781 FRCOAMLMXBLTPR-SFHVURJKSA-N 393.270 3.986 0 40 GHAB Cc1ccc(C(=O)Oc2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100744030 MAPJGBSSDCJHBD-CPLUKWAASA-N 375.424 3.750 0 40 GHAB COc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ncccn2)cc1OC(C)C 32097061 IDDKCJMGNFBXHJ-HNNXBMFYSA-N 393.447 3.890 0 40 GHAB CSc1ccc(-c2csc(NC(=O)Cn3c(C)csc3=O)n2)cc1 11422718 WYQBQSREPTZERH-UHFFFAOYSA-N 377.516 3.702 0 40 GHAB CC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 724729 MMVIDADLJADYQG-UHFFFAOYSA-N 385.489 3.660 0 40 GHAB Cc1cccc(NC(=S)N(CCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)c1 884844 GVDDVSDEXIMIJN-UHFFFAOYSA-N 395.528 3.645 0 40 GHAB O=C(c1cc2ccccc2oc1=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1330116 VLASYWCLNRRREU-SFHVURJKSA-N 381.403 3.754 0 40 GHAB COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccccc2F)CC(O)=N3)cc1 20727141 NIDQSXOELLUUPX-KRWDZBQOSA-N 380.379 3.869 0 40 GHAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccc(OC)c3)n2C)cc1 3322827 ULWUJAJYVYNUFI-ZDUSSCGKSA-N 383.473 3.863 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 29671564 WHXNBVNUUFWHMD-UHFFFAOYSA-N 386.407 3.809 0 40 GHAB c1ccc(N2CCN(c3ccccc3)C2Cc2nnnn2-c2ccccc2)cc1 4347783 YXFSQHMWTQQLKX-UHFFFAOYSA-N 382.471 3.558 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)N1CCCCCC1 4882124 MLGGRWTUNPYKHP-UHFFFAOYSA-N 386.477 3.674 0 40 GHAB CCc1cccc(C)c1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1 4895538 MCROSNRAQHCSLT-UHFFFAOYSA-N 395.482 3.717 0 40 GHAB COc1cc(CNC(=S)Nc2ccc(F)c(Cl)c2)cc(OC)c1OC 6380811 CVHNHGZWVYBCPG-UHFFFAOYSA-N 384.860 3.992 0 40 GHAB O=C(COC(=O)c1cccc(Br)c1)c1ccc2c(c1)OCCCO2 7894867 OAANKKWUGACHFK-UHFFFAOYSA-N 391.217 3.650 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N(C)Cc2ccccc2Cl)cc1 7929667 YVXFUHRKQNYMSJ-INIZCTEOSA-N 387.911 3.566 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCCOc1ccccc1F 32802096 MSQYJMWZDRWDJZ-UHFFFAOYSA-N 382.439 3.506 0 40 GHAB C[C@@H](Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)C(=O)c1ccccc1 102531733 CSLIFTIOUYTAQM-XHXDDVKMSA-N 387.435 3.648 0 40 GHAB CSc1ccc(NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)cc1 12039296 SBWPYYWXVGIFTO-UHFFFAOYSA-N 387.534 3.756 0 40 GHAB Cc1ccc(CSCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 10967507 BHXXIEJEPNRQSG-OAHLLOKOSA-N 377.531 3.509 0 40 GHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1c(C)nn(-c2ccccc2)c1C 57638321 MJSHYAWGUQILAN-UHFFFAOYSA-N 377.444 3.880 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2cc(O)c(OCc3ccccc3)cn2)c1 12168555 YVOKXSFCVWPMNO-UHFFFAOYSA-N 377.400 3.577 0 40 GHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 104678962 SZFDPJXWBDBUPO-YJOCZYATSA-N 387.549 3.898 0 40 GHAB Cc1ncsc1CCOC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 42619979 LJNQIGPJBNDBPK-CQSZACIVSA-N 382.894 3.694 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(C)cc1 113967487 FNIYDHQDNVBGLY-BEFAXECRSA-N 392.496 3.556 0 40 GHAB O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)NC1CCCCC1 3059308 LWHAPCUMDZOWIR-UHFFFAOYSA-N 399.541 3.988 0 40 GHAB COC(=O)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O 3134456 YTAYLZCBPPTDRW-UHFFFAOYSA-N 379.256 3.721 0 40 GHAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1nc(-c2ccc3c(c2)CCO3)cs1 24774481 NURUFQKKEHAWPY-GOSISDBHSA-N 392.436 3.985 0 40 GHAB Cn1c(=S)n(CN2CCC(c3nnc4ccccn34)CC2)c2ccccc21 12543847 WMXJNEYMKRKMDP-UHFFFAOYSA-N 378.505 3.589 0 40 GHAB NC(=O)Nc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1 25090546 XIMUWWZWASKRDM-UHFFFAOYSA-N 388.265 3.745 0 40 GHAB O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)SC(Nc2ccccc2)=N1 17043118 UWDOPGQREIOZHT-AWEZNQCLSA-N 377.828 3.918 0 40 GHAB C[C@H](CNC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2)c1ccccc1 21556422 RWPNBDJTHVYJOD-MRXNPFEDSA-N 391.471 3.782 0 40 GHAB Fc1ccccc1-c1nnc2ccc(NCc3ccc(N4CCCC4)nc3)nn12 57137693 IDKUBKJFIZNXLM-UHFFFAOYSA-N 389.438 3.538 0 40 GHAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)NCc4ccccc4Cl)cnc3c2c1 35423944 XKTLMUWUUTUFDQ-UHFFFAOYSA-N 394.862 3.546 0 40 GHAB Cc1cccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)n1 21538760 UJMRAFMGHKKKBS-UHFFFAOYSA-N 379.489 3.764 0 40 GHAB O=C(COCc1ccccc1Cl)NC1CCN(Cc2ccccc2F)CC1 57992919 HXLAYCYLTCBDGH-UHFFFAOYSA-N 390.886 3.777 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1OCC 3238988 FIMGXZFJBJOOGG-UHFFFAOYSA-N 377.824 3.933 0 40 GHAB Clc1ccccc1CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 58147247 SLWBFRHRLFTEAH-LJQANCHMSA-N 384.955 3.769 0 40 GHAB Cc1cccc(N2CCN(C(=O)NC[C@@H](c3ccco3)N3CCCC3)CC2)c1C 17125212 WSCCGOBUASRODD-NRFANRHFSA-N 396.535 3.565 0 40 GHAB COc1ccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3)cc2)cc1 28580918 DMBMZOVGURKKMV-UHFFFAOYSA-N 376.412 3.965 0 40 GHAB CC(=O)Nc1ccc(Br)cc1NC(=O)c1cccc(N(C)C)c1 58267128 BMTVZVPAPUEGKD-UHFFFAOYSA-N 376.254 3.726 0 40 GHAB c1ccc(COc2ccc3ccccc3c2CNCCN2CCOCC2)cc1 23468980 HCWBLYLLHPQNJB-UHFFFAOYSA-N 376.500 3.841 0 40 GHAB COc1cc(COC(=O)c2cccnc2N2CCCC2)ccc1OC(F)F 28326309 LUINNTSZXAHWLP-UHFFFAOYSA-N 378.375 3.649 0 40 GHAB NC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 58310508 DAAMCWJUCSDACK-AWEZNQCLSA-N 395.381 3.628 0 40 GHAB CCc1nc(SCC(=O)N[C@H](C)CC)nc(N)c1-c1ccc(Cl)cc1 12731688 PXSMDIQABUAHHF-LLVKDONJSA-N 378.929 3.948 0 40 GHAB Cc1ccc(C(=O)C2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 48368239 QEDIEOHCPBOGCD-QFIPXVFZSA-N 376.500 3.910 0 40 GHAB COc1ccc(C(=O)C2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)cc1 12891814 RSMYBDSHIRQBAD-UHFFFAOYSA-N 393.530 3.657 0 40 GHAB Cc1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1C1CC1 8428439 MKOMLJHFHUHQCL-UHFFFAOYSA-N 378.501 3.919 0 40 GHAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nc(-c3ccc4c(c3)CCC4)cs1)CS2 13009544 PIYWYIYJRQPDEV-JXFKEZNVSA-N 399.541 3.691 0 40 GHAB O=C(CNC(=O)c1ccc(F)cc1)NCc1ccc(-c2ccc(Cl)cc2)o1 13013194 VUPUGVMMTZXOOE-UHFFFAOYSA-N 386.810 3.785 0 40 GHAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(=O)N(C2CC2)C1 69831171 QYXLWGVHYJYMIS-QMMMGPOBSA-N 380.288 3.674 0 40 GHAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCCO2 408624488 UQUMSMZMLRQRNK-UHFFFAOYSA-N 383.256 3.891 0 40 GHAB Cc1nnc(COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)o1 39190052 BWQKBBVTPSVPGP-QGZVFWFLSA-N 399.834 3.636 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(-c2cc(C)c3cc4c(cc3n2)OCO4)cc1 6126735 AVSZETKVTAULAE-UHFFFAOYSA-N 398.484 3.969 0 40 GHAB FC(F)Oc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCNCC2)cc1 5156024 SQRLTHGEEDEPQL-GOSISDBHSA-N 385.414 3.911 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)NCc1ccccc1OC(F)(F)F 14184368 OANQRAQSGUOJFR-UHFFFAOYSA-N 381.350 3.655 0 40 GHAB Cc1noc(C)c1S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 14190050 MDAUMFUNZXUGEL-OAHLLOKOSA-N 380.516 3.751 0 40 GHAB COc1ccc(C(=O)COC(=O)c2oc3ccc(OC)cc3c2C)c(OC)c1 4524844 IFQOHXCHBXROCF-UHFFFAOYSA-N 384.384 3.807 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1sccc1C 4735620 MWFYKEJJSWTJCT-KRWDZBQOSA-N 383.473 3.885 0 40 GHAB Cc1sc2ncn(CCC(=O)Nc3ccccc3OC(F)F)c(=O)c2c1C 14850969 XGMXHZSXJLSQFR-UHFFFAOYSA-N 393.415 3.705 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 67197997 MUWDMELLXFYSSZ-UHFFFAOYSA-N 381.350 3.577 0 40 GHAB CCN(C(=O)CN1C(=O)N[C@](C)(CCC(C)C)C1=O)c1cccc2ccccc12 8886105 DHQWTEPGPUOWNZ-HSZRJFAPSA-N 395.503 3.939 0 40 GHAB COc1ccc(CNc2ncnc3c2cnn3-c2ccc(F)cc2)cc1OC 8935368 HHBBTSFMQKRFOT-UHFFFAOYSA-N 379.395 3.584 0 40 GHAB O=C(OCN1C(=O)c2ccccc2C1=O)c1cc(Br)ccc1Cl 7654606 WMVLRPWLCUYGHS-UHFFFAOYSA-N 394.608 3.513 0 40 GHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ccc2c(c1)CCC2 7811030 LNLRCFRKKSIADA-UHFFFAOYSA-N 393.512 3.553 0 40 GHAB C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC[C@@H]1c1cccs1 8185976 BZRACGCDWLJXBO-WCQYABFASA-N 389.546 3.561 0 40 GHAB CCCn1cc(C(=O)c2ccccc2O)cc1-c1nc2ccsc2c(=O)[nH]1 9458398 FCRWZVDBDWLQSI-UHFFFAOYSA-N 379.441 3.800 0 40 GHAB O=C(O)c1cccc(Oc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 9426714 HAXOBBUDFZGEIL-UHFFFAOYSA-N 375.446 3.788 0 40 GHAB CCNc1nnc(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)s1 9683433 MMPOCVIHUXAARD-UHFFFAOYSA-N 391.503 3.820 0 40 GHAB C[C@@H]1CCc2ccccc2N1CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 9682346 QIHMZXQXXKZWPV-GOSISDBHSA-N 391.515 3.705 0 40 GHAB O=C(O)c1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 89851359 NLUUNISRAMDIPK-QGZVFWFLSA-N 377.400 3.802 0 40 GHAB Cn1ccc2c1CN(C(=O)C1CCCCC1)Cc1cn(Cc3cccnc3)nc1-2 306138577 SAZFXKXTUXWCGN-UHFFFAOYSA-N 389.503 3.754 0 40 GHAB Cn1c(SC[C@H]2CO[C@H](c3ccc(Cl)cc3)O2)nnc1-c1cccnc1 95448422 WJNZCGPPQDUHCH-WBVHZDCISA-N 388.880 3.737 0 40 GHAB CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)c3cccs3)n2)cc1 67768045 YJFHVZQKLNDQFA-UHFFFAOYSA-N 377.491 3.742 0 40 GHAB CCOc1ccc(N2C(=O)C[C@@H](Nc3ccccc3Br)C2=O)cc1 36635701 WJSKCERCAXJGNP-MRXNPFEDSA-N 389.249 3.592 0 40 GHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)ccc1C 408602218 IJTFZTITICCJDG-UHFFFAOYSA-N 380.897 3.897 0 40 GHAB O=C(N[C@@H]1COc2ccccc2C1)c1cccc(-n2nccc2C(F)(F)F)c1 501893521 RGXNCYWKTCHBGN-HNNXBMFYSA-N 387.361 3.625 0 40 GHAB CCOc1ccc(-c2cc3c(SCC(=O)NC4CCCC4)nccn3n2)cc1 67290323 CAEBUYNGELYRNH-UHFFFAOYSA-N 396.516 3.946 0 40 GHAB O=C(Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1)N1CCCC1 409127159 BZPVHGIYGWNDBY-UHFFFAOYSA-N 392.440 3.725 0 40 GHAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)cc3)C2=O)cc1 409176542 QOLKZCKBANTZMO-LDADJPATSA-N 396.468 3.933 0 40 GHAB O=C(CN1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCCC1 72348781 MZECRUCSNJHSCD-LJQANCHMSA-N 381.495 3.613 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 33497530 XIRSYQSJOACPDS-MRXNPFEDSA-N 382.485 3.762 0 40 GHAB Cc1cccc(C(=O)N[C@H](C(=O)OCc2nc3ccccc3nc2C)C(C)C)c1 39659155 YSURZSCDUXEHRS-NRFANRHFSA-N 391.471 3.744 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1 225809079 PVZLQSBAPYYOHG-ZDUSSCGKSA-N 383.366 3.677 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSc1ccccc1 224594861 NLGOTFOQJKNOJY-FQEVSTJZSA-N 384.545 3.765 0 40 GHAB O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1cn([C@H]2CCCNC2)nn1 574269193 RFDXUHBYGZWTIY-INIZCTEOSA-N 399.857 3.914 0 40 GHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 222996752 NCQVHUJWAWCZGJ-GOSISDBHSA-N 387.476 3.803 0 40 GHAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 222758915 QTQUCIJWVYZKJR-MSOLQXFVSA-N 379.441 3.642 0 40 GHAB CCOc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1Cl 224073149 YESRKAPXYCKXEM-UHFFFAOYSA-N 379.840 3.695 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C 225388867 BPXCEFYCAKTVTO-JOCHJYFZSA-N 396.531 3.880 0 40 GHAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N1CCN(c2ccccc2)CC1 222584246 YMSBMMIFZGFMTN-UHFFFAOYSA-N 376.435 3.554 0 40 GHAB COC(=O)c1ccc(NCC(C)C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223409386 HYCHGRPWBKDWCT-UHFFFAOYSA-N 376.478 3.650 0 40 GHAB Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1NS(C)(=O)=O 224957819 YAFXFJRXFKBHON-UHFFFAOYSA-N 387.505 3.609 0 40 GHAB CN(c1cccc(NC(=O)CCc2cccc3ccccc23)c1)S(C)(=O)=O 222666349 PRJRZNZKBDCNFG-UHFFFAOYSA-N 382.485 3.807 0 40 GHAB CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21 46017455 RNUTVSQYKFZESZ-UHFFFAOYSA-N 398.893 3.546 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cc1 223019244 KKADJLYADWAEPI-LEWJYISDSA-N 392.528 3.800 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1 225454385 FIMPYKHFRMARBC-VQTJNVASSA-N 396.531 3.748 0 40 GHAB O=C(O)C[C@@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1Cc1nc2ccccc2[nH]1 514290393 XURSDBFQURWLQQ-IRXDYDNUSA-N 383.492 3.625 0 40 GHAB biogenic,in-vitro Cn1c(C2CCN(C(=O)c3n[nH]c4c3CCCCC4)CC2)nc2ccccc21 96232371 YWLWXXDOEPROHV-UHFFFAOYSA-N 377.492 3.585 0 40 GHAB C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)c1cn2c(n1)COCC2 606445003 FBDJSBPRIOIAHZ-GOSISDBHSA-N 375.472 3.687 0 40 GHAB Cc1cc([C@@H]2CN(C(=O)c3ccc4c(c3)nc(O)n4C3CC3)CCO2)ccc1F 613142818 NJFYGWSKONHCIQ-FQEVSTJZSA-N 395.434 3.738 0 40 GHAB C[C@H](C(=O)Nc1nc2cc3c(cc2s1)OCCO3)N(C)Cc1ccccc1 605399835 CAEHAXKGLGFMPQ-CYBMUJFWSA-N 383.473 3.527 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2cnn(C(C)(C)C)c2)N2CCCCC2)cc1 48185798 FVFYWIOYXUSVAR-HXUWFJFHSA-N 384.524 3.604 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2[C@H](C)c2ccccc2)ccc1C 1622595193 JCLUPBCOOLCPJT-OXQOHEQNSA-N 387.501 3.738 0 40 GHAB CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 12365823 HNDUJOWHQIEDDN-RDTXWAMCSA-N 379.476 3.901 0 40 GHAB Cc1c(NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)c(=O)n(-c2ccccc2)n1C 12807396 GKMSWDIFVPLBJX-MRMPSVPGSA-N 377.444 3.853 0 40 GHAB COc1ccc(-c2cc(CC(=O)N3c4ccccc4C[C@@H]3C)no2)cc1OC 12867840 SERZATYSTDNKKW-AWEZNQCLSA-N 378.428 3.879 0 40 GHAB COC(=O)[C@H](NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)C(C)C 12897300 LPDZLMCADNSDIK-GOSISDBHSA-N 393.439 3.696 0 40 GHAB biogenic CN(C(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)s1)[C@@H]1CCS(=O)(=O)C1 13021447 ISFPKINOQSMMGH-LOWQCSRCSA-N 395.933 3.727 0 40 GHAB Cc1nc(/C=C/C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cs1 14805463 HTBOTRLRVNLFSY-QPJJXVBHSA-N 384.429 3.961 0 40 GHAB Cc1cc(C)cc(N2C(=O)N(c3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@@H]32)c1 16740630 XFBBHPYRZUISIN-ROUUACIJSA-N 390.892 3.569 0 40 GHAB Cc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)C3CCCC3)CCNC2=O)cc1 19212834 NRELDPBMKDURQW-JOCHJYFZSA-N 390.527 3.969 0 40 GHAB COc1cccc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c1OC 19589294 DACBPNDIPSOHNI-KCZVDYSFSA-N 384.495 3.905 0 40 GHAB Cc1cc(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc(=O)o1 206971200 DYSZGCGUXVNTCX-UHFFFAOYSA-N 381.350 3.651 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 6441121 CJZPUWUFFMWHOQ-CAPFRKAQSA-N 390.439 3.835 0 40 GHAB COc1cc(C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)on1 618238375 XQIVUKIZSRVLRB-KRWDZBQOSA-N 384.354 3.819 0 40 GHAB COc1cc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)cc(OC)c1 19589274 QOPXYHWPDHCQPR-DNVJHFABSA-N 384.495 3.905 0 40 GHAB C[C@H](OC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(Cl)cc1Cl 3266116 FCDKZXXJQNZOPX-QFYYESIMSA-N 396.226 3.704 0 40 GHAB CSc1ccccc1NC(=O)C(=O)NCc1ccc(-c2c(C)noc2C)o1 1889019022 NSFICZGFBWTOFN-UHFFFAOYSA-N 385.445 3.528 0 40 GHAB CC(C)(C)c1cn2nc(OC[C@@H]3CCN(c4ccnc(C5CC5)n4)C3)ccc2n1 2087045660 AMOJEKDWAKCRIC-OAHLLOKOSA-N 392.507 3.600 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1 3517594 CQYXFRKINNOPGH-UHFFFAOYSA-N 392.480 3.715 0 40 GHAB Cc1cccc(-c2nc3scc(CCNC(=O)Cc4ccccc4)n3n2)c1 4374753 LEZVRFDQFIXXIN-UHFFFAOYSA-N 376.485 3.668 0 40 GHAB Cc1nccc(OC2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)n1 585147041 VPEASLRNZJEOAE-UHFFFAOYSA-N 396.274 3.541 0 40 GHAB Cc1cc(O[C@H]2CCN(C(=O)Nc3ccccc3C(F)(F)F)C2)nc(C)n1 585147454 PWTLZXDJULFJAT-ZDUSSCGKSA-N 380.370 3.797 0 40 GHAB COc1cc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc(OC)c1OC 7053890 KPFDBQRVMIDIHI-CMDGGOBGSA-N 383.853 3.778 0 40 GHAB Cn1c([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCCO3)nc2ccccc21 68002261 QJOKRNKXMVTMEL-SFHVURJKSA-N 377.444 3.712 0 40 GHAB O=C(NCc1cccc(NC(=O)c2ccco2)c1)c1cc(-c2cccnc2)on1 40133559 KAMOBTKVKCCIEF-UHFFFAOYSA-N 388.383 3.512 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)NCCO[C@@H]2CCCC[C@@H]2C)no1 40113169 DXUDYPAJZJQBQL-KBXCAEBGSA-N 389.521 3.995 0 40 GHAB O=C(Nc1ccccc1)O[C@@H](CN1CCN(c2ccccc2)CC1)C(F)(F)F 20219005 XTTGJFQANXUSNS-SFHVURJKSA-N 393.409 3.988 0 40 GHAB O=c1c2ccsc2ncn1C[C@H](O)COc1ccc(-c2ccccc2)cc1 11505669 SVPDFTWRMYFORV-KRWDZBQOSA-N 378.453 3.565 0 40 GHAB COc1ccc(CCC(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1 8277413 OGYBBDFFLCUGSH-UHFFFAOYSA-N 376.460 3.810 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1ccc2c(c1)OCCCO2 11758844 QYVHABJMDNFNOX-UHFFFAOYSA-N 378.222 3.628 0 40 GHAB O=C(COC(=O)c1ccc2ncsc2c1)Nc1ccccc1Br 2628464 PLSNQIPNZAOEKX-UHFFFAOYSA-N 391.246 3.854 0 40 GHAB O=C(Oc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 3221109 QNUGOQJNVTZVLI-UHFFFAOYSA-N 397.855 3.873 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 6946593 ALHFLAGTHZNXQL-KRWDZBQOSA-N 388.533 3.804 0 40 GHAB CCOc1cc(CN(C)CC(=O)Nc2ccc(Cl)cn2)ccc1OC(F)F 32825453 BQAHPNDSEGLTSQ-UHFFFAOYSA-N 399.825 3.806 0 40 GHAB C[C@H](C1CC1)N(C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)C1CC1 32814629 GVEPFXJZVVHQRB-OAHLLOKOSA-N 379.504 3.916 0 40 GHAB Cc1ccccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10324261 LMNSQUUGJBSPJK-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB CCn1c2ccccc2c2cc(NC(=O)c3cnn4c(=O)cc(C)[nH]c34)ccc21 102522870 HHWVPLXPPFHYIQ-UHFFFAOYSA-N 385.427 3.711 0 40 GHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(c2ncccn2)CC1 8674954 FGTICVBOUBBMIF-UHFFFAOYSA-N 385.777 3.503 0 40 GHAB CSc1ncc(C(=O)NCC(=O)Nc2c(C)cccc2C)n1-c1ccccc1 8704167 FAHHYQTUTMPCRU-UHFFFAOYSA-N 394.500 3.580 0 40 GHAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCO[C@H]2CCCC[C@H]21 46491069 RGGCYJCWPLZXTJ-SJORKVTESA-N 389.883 3.883 0 40 GHAB COC(=O)[C@]1(Cc2cccc(F)c2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186549 CPGPVEFITTVHQH-VIZSFHNOSA-N 381.447 3.534 0 40 GHAB CCc1nnc(CN2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)o1 69776639 WNKRMSYTTLUHCP-HXUWFJFHSA-N 396.535 3.929 0 40 GHAB C[C@@H](NC(=O)[C@@H](C)N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 22788072 FNRSOHSFDYESQC-QZTJIDSGSA-N 385.939 3.724 0 40 GHAB COCc1nn2c(C)c(C(=O)Nc3ccc(C)cc3)nnc2c1-c1ccccc1 21006149 HZILKQZPPRRMJW-UHFFFAOYSA-N 387.443 3.807 0 40 GHAB COc1cccc(CN2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1OC 819206 MHJCELKBVUHKSC-UHFFFAOYSA-N 394.515 3.501 0 40 GHAB COc1cc(C(=O)N2CCC[C@@H]2c2ccncc2)cc(OC)c1Br 23055255 BPWYFFHPHQFTSA-CQSZACIVSA-N 391.265 3.839 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)cc1 103717169 IEWLRAXFUHXFGK-QGZVFWFLSA-N 380.444 3.552 0 40 GHAB CNC(=O)c1cc(Cl)ccc1NCC(=O)N1CCC[C@@H]1c1cccs1 55842112 LMIPZXZQVCBECB-OAHLLOKOSA-N 377.897 3.537 0 40 GHAB CC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccccc2Br)cc1 57363014 RWCMPGCAMPUUHU-LBPRGKRZSA-N 375.266 3.941 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)C)c1 3332470 NERHBZQIDHDNJA-UHFFFAOYSA-N 380.897 3.693 0 40 GHAB COc1ccc(CN(C)C(=O)CCc2nc(-c3cccs3)no2)cc1F 58113362 JCISXUNZUNXBLO-UHFFFAOYSA-N 375.425 3.537 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCSc2ccccc21 36364975 SWPAVHFMVCKGGG-UHFFFAOYSA-N 385.514 3.790 0 40 GHAB Cn1c(=O)c2c(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)cc2n(C)c1=O 2369266 STZFXXBVDJEEGG-UHFFFAOYSA-N 399.372 3.714 0 40 GHAB Cn1c(-c2ccc(Br)cc2)cnc1S[C@H]1CCCCNC1=O 10989625 HDAVKRGHNFWKSE-AWEZNQCLSA-N 380.311 3.610 0 40 GHAB CC[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O 12794914 CLHHYZCNWFGPPL-NSHDSACASA-N 382.869 3.831 0 40 GHAB Cn1cc([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 2423777 LUJXVUNQXOFNOC-HNNXBMFYSA-N 383.245 3.988 0 40 GHAB C[C@H]1c2ccsc2CCN1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 48368483 MNNRZFQASUFQHN-NSHDSACASA-N 379.411 3.862 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccnn3C3CCCC3)o2)cc1 8312382 SGMNNVRNWUBXPP-UHFFFAOYSA-N 399.476 3.788 0 40 GHAB Cc1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)n1-c1ccccc1 3409668 LLYVZTZSROYDHS-IBGZPJMESA-N 378.501 3.862 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)Nc1ccc2nc(N3CCOCC3)sc2c1 12982846 AYRRFSLENNXUCM-UHFFFAOYSA-N 398.444 3.506 0 40 GHAB O=S(=O)(NCc1ccccc1OC(F)F)c1ccccc1Br 12980072 QJIXJIPEXHFKNY-UHFFFAOYSA-N 392.221 3.529 0 40 GHAB C[S@](=O)Cc1cccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1 69458104 DVHDFDQQZHUNDF-HHHXNRCGSA-N 379.441 3.954 0 40 GHAB Cc1c(CC(=O)NC[C@H]2CCCO2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 4089808 PLSKXRCGVXABJX-CQSZACIVSA-N 395.455 3.564 0 40 GHAB biogenic CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)/C=C/c2ccccc2OCC)c1C 6006694 DXSKFIYMCNVRFE-VAWYXSNFSA-N 399.443 3.646 0 40 GHAB COc1cccc(N2CCn3c(nc4cc(NC(=O)c5ccco5)ccc43)C2)c1 13729324 TVEHRZBPIOLUTA-UHFFFAOYSA-N 388.427 3.910 0 40 GHAB Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c(C(N)=O)c1-c1ccccc1 5127419 XHEKOUWCXUFASW-KGLIPLIRSA-N 386.473 3.652 0 40 GHAB Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1Cc1ccco1 4367693 KWLGYEWASBWFHO-UHFFFAOYSA-N 397.438 3.738 0 40 GHAB CSc1nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)cc2s1 5223058 QZGUGGVIQLTKHO-UHFFFAOYSA-N 378.500 3.674 0 40 GHAB CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2Cl)CC1 4412777 PXHKFHPSYYEBHR-UHFFFAOYSA-N 392.286 3.914 0 40 GHAB CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 4593095 NWQUJZSEJQHILX-LPTDTENNSA-N 386.451 3.813 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)nc3ccccc3c1C)CC2 6586926 ZEBRWSZTKINYJS-UHFFFAOYSA-N 390.483 3.996 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 14398462 NNFOKHJMLXPYSD-KRZKXXONSA-N 384.907 3.965 0 40 GHAB CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(CC(C)C)c1ccccc12 6624337 VFSWLZXSVSPJGS-DEOSSOPVSA-N 387.483 3.819 0 40 GHAB biogenic CN(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 5606542 GMHUMICCKOGUCC-UHFFFAOYSA-N 394.496 3.785 0 40 GHAB Cc1nc2ccccc2n1CC(=O)Nc1ccc(I)cc1 5627930 OZTPWDPKZZFXTM-UHFFFAOYSA-N 391.212 3.588 0 40 GHAB C[C@H](NCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2 8749969 RLTFDQRDUAMEQV-INIZCTEOSA-N 379.504 3.663 0 40 GHAB Cc1cc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)n1C1CC1 4932875 JSOKWZXTDWCBGU-UHFFFAOYSA-N 389.381 3.995 0 40 GHAB CSc1nnc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)s1 8994910 PLTCBRGIRNAXNF-UHFFFAOYSA-N 388.257 3.926 0 40 GHAB C[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1sccc1C(N)=O 15554262 NLUKIVVSIAKALR-AWEZNQCLSA-N 395.484 3.865 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)NCc2cccc(Cl)c2)c(OC)c1 7741628 NPFDVLVICZDOFU-IBGZPJMESA-N 388.895 3.811 0 40 GHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCC(c1ccccc1)c1ccccc1 7738488 NEZGMHGRKGFIGM-UHFFFAOYSA-N 387.439 3.777 0 40 GHAB Cc1ccc(Cn2ncc3c(C(=O)O[C@@H]4CCCCC4=O)cc(C)nc32)cc1 16407632 CREUMSITSGHLLW-HXUWFJFHSA-N 377.444 3.765 0 40 GHAB CC(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2)CC1 9192638 QOALHHCDFLXIPX-DHZHZOJOSA-N 383.879 3.660 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8156788 HSYHTHUTTUDBNA-IOMDMTNGSA-N 379.412 3.563 0 40 GHAB C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(-n2cncn2)cc1 9389293 FWWTTZGOVQPBCX-LBPRGKRZSA-N 381.486 3.943 0 40 GHAB COC(=O)CCN(Cc1cn(-c2ccccc2)nc1C(C)C)C1CCOCC1 93734562 SHSKKVLJCGNHTE-UHFFFAOYSA-N 385.508 3.540 0 40 GHAB O=C(Nc1ccccc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 26780048 GYLDNHXXHGZHBA-UHFFFAOYSA-N 379.869 3.769 0 40 GHAB CC(C)=CC(=O)NCc1ccc(C(=O)NCc2nc3ccccc3s2)cc1 72302753 ZNJUNMWUSLEFAJ-UHFFFAOYSA-N 379.485 3.809 0 40 GHAB COc1cc(CNC(=O)[C@@H]2CSCCS2)ccc1OCc1ccccc1 78738953 QPTVFCPSYZSYPU-IBGZPJMESA-N 389.542 3.739 0 40 GHAB Cc1cc(-n2cncn2)ccc1C(=O)Oc1ccc([C@](C)(O)C(F)(F)F)cc1 79110384 UWVJPTVDNFKTRU-SFHVURJKSA-N 391.349 3.565 0 40 GHAB CCc1nnc([C@H](C)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1 89296185 PSXNSBFFDUSXPK-ZDUSSCGKSA-N 377.876 3.586 0 40 GHAB CC(C)CC[C@H](C)NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1 24977454 ORRSDUYEIAKWTP-HNNXBMFYSA-N 388.537 3.705 0 40 GHAB Cc1ccnc(OC2CCN(Cc3nnc(-c4ccc(Cl)cc4)n3C)CC2)c1 546029181 UWNYHRXVIJRGIK-UHFFFAOYSA-N 397.910 3.882 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2CN(Cc3ccoc3)C[C@H]21 306134768 NXTOUFDGIQVKTC-PZJWPPBQSA-N 383.444 3.841 0 40 GHAB CCN(CC)C(=O)Cc1ccc(NC(=O)CCc2c(C)noc2Cl)cc1 66044804 UFEYWADPVRTBND-UHFFFAOYSA-N 377.872 3.619 0 40 GHAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 408628511 UJEITJFYPFTXBF-MRXNPFEDSA-N 383.517 3.957 0 40 GHAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Br)cc2)N1 35183143 UUKPOUWUKZFGJZ-SJORKVTESA-N 385.261 3.707 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)Cc1ccsc1 72396993 GOWSPKQLRSAQMM-GOSISDBHSA-N 381.501 3.738 0 40 GHAB COc1ccc(Cn2nc(-c3cccs3)c(-c3cc(C)no3)cc2=O)cc1 72337067 WTQVIHRXMVJEMM-UHFFFAOYSA-N 379.441 3.992 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)o2)cc1C 216031039 AHVMMSQYIZOQTK-INMHGKMJSA-N 387.505 3.662 0 40 GHAB O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc(Cc2ccccc2)[nH]n1 565258917 NANHFQKNGZDZOF-FQEVSTJZSA-N 387.443 3.981 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c(C)c1 219725303 YJHBJRXNGMFLII-GOSISDBHSA-N 388.533 3.582 0 40 GHAB CC(C)C[C@@H](N)c1noc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 563120838 HZTZAJXOULOEFF-GOSISDBHSA-N 389.459 3.541 0 40 GHAB COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)o1 222767502 MNTCGPSGKGZULI-MOPGFXCFSA-N 393.468 3.731 0 40 GHAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)c1 224674755 SDRIEMPXHDFYJU-GOSISDBHSA-N 384.495 3.927 0 40 GHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)CCc1ccccc1 40103824 YUWZCWPOURTJMK-IBGZPJMESA-N 380.536 3.890 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1F 225162498 LGWBHUXJJMWXHC-UHFFFAOYSA-N 396.465 3.592 0 40 GHAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)c1cccs1 223602247 VRYYQKNUXCLFEH-UHFFFAOYSA-N 391.518 3.916 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872207 DKFOCUYQOBXVNU-QFIPXVFZSA-N 382.504 3.765 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(-n2ccnc2C)cc1 44901158 NNQXUSLVGKWOAQ-OAQYLSRUSA-N 379.460 3.663 0 40 GHAB CSc1ncccc1C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 49030302 QBVYHHVSRXEBMF-HNNXBMFYSA-N 397.500 3.833 0 40 GHAB C[C@]1(C(=O)Nc2n[nH]c(-c3ccc(O)c(Cl)c3)n2)CCc2ccccc2C1 1650958616 PIRACCCRXGNVKR-FQEVSTJZSA-N 382.851 3.964 0 40 GHAB COc1ncccc1CCNC(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 1616042764 AJMZYKBKKDPUAK-MRXNPFEDSA-N 375.419 3.500 0 40 GHAB Cc1ccc2c(c1Br)CN(C(=O)NCc1ccc(CO)c(F)c1)C2 663894326 ZWHLQFDSKNBBGF-UHFFFAOYSA-N 393.256 3.614 0 40 GHAB Cc1ccc(C(=O)N2CC[C@]3(C2)c2cccn2-c2ncccc2N3CC(C)C)o1 585107014 OBSAOACDFYGLSL-QHCPKHFHSA-N 390.487 3.991 0 40 GHAB C[C@@H](NC(=O)Nc1cccc(CN2CCOC2=O)c1)c1ccc(F)c(F)c1 58159285 RJPWVQVPKHNQTG-GFCCVEGCSA-N 375.375 3.800 0 40 GHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)N3CC[C@@H](N)C3)cc12 97228903 SXITXQQQODRREB-GFCCVEGCSA-N 394.422 3.587 0 40 GHAB Cc1c(CCC(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)cnn1C 1615155132 IBBJMAIFDFVPDO-HSZRJFAPSA-N 398.526 3.850 0 40 GHAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1onc2c1CCCC2 1632822337 GUUHZKJEAVFKSL-LLVKDONJSA-N 380.275 3.869 0 40 GHAB COP(=O)(OC)[C@@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl 3214554 OFRPUAPRUQZYLY-IDVQTMNDSA-N 386.599 3.998 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1 5184738 FFNCLXMTNXBYLN-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc2ccccc12 11615699 OZOSEBYEXBCMHN-UHFFFAOYSA-N 384.457 3.998 0 40 GHAB CCC[C@@H]1c2cccn2CCN1C(=O)c1cc(-c2cc(OC)ccc2OC)n[nH]1 12147484 JGSSUBCDKWXIEM-HXUWFJFHSA-N 394.475 3.893 0 40 GHAB COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 12329902 ZLQGCNQIYZJAPZ-YADHBBJMSA-N 397.515 3.696 0 40 GHAB C[C@H](Sc1nnnn1C1CCCCC1)C(=O)Nc1ccc(OC(F)F)cc1 12870000 CHUAXEFZZOJIPQ-NSHDSACASA-N 397.451 3.899 0 40 GHAB O=C(NC[C@H]1CCC[C@H](CNC(=O)c2cccc(F)c2)C1)c1cccc(F)c1 16399125 NBKWVIQOSKPASS-HOTGVXAUSA-N 386.442 3.931 0 40 GHAB Cc1cc(C)cc(N2C(=O)N(c3ccccc3Cl)[C@@H]3CS(=O)(=O)C[C@H]32)c1 16740631 XFBBHPYRZUISIN-QZTJIDSGSA-N 390.892 3.569 0 40 GHAB COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)C(C)(C)C)n2)cc1 19082167 DWZMPXOPVAXKEM-UHFFFAOYSA-N 378.476 3.783 0 40 GHAB COc1ccccc1CN1C[C@@H](c2cc(F)ccc2F)[C@@]2(CCCC(=O)N2)C1 19570742 HXITVAVYXZHMAQ-PGRDOPGGSA-N 386.442 3.612 0 40 GHAB CN(C)c1cc(C[C@H](NC(=O)c2ccncc2)c2ccccc2)nc(C2CC2)n1 19584262 HLYNLEZUPPSXQB-FQEVSTJZSA-N 387.487 3.529 0 40 GHAB Cc1sc(NC(=O)c2cccs2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 19796442 ZVYAUJKGBVBXNF-UHFFFAOYSA-N 385.470 3.788 0 40 GHAB COc1ccc(COc2ccc(C)nc2Br)nc1Br 19872956 VLRIJNIZSYZBEI-UHFFFAOYSA-N 388.059 3.898 0 40 GHAB O=C1CCCN1c1cc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccn1 575608186 MDHJOHSBRBGHDK-UHFFFAOYSA-N 397.906 3.990 0 40 GHAB CCOc1ccc(C(=O)N2CCC[C@H](Oc3nc(C)cc(C)n3)C2)cc1OCC 585147299 QHEZTFFVWFIQFQ-SFHVURJKSA-N 399.491 3.574 0 40 GHAB O=C(COc1ccc(-c2ccccc2)cc1)N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1889054800 GPTCYIFAWNCOEC-OYRHEFFESA-N 376.500 3.675 0 40 GHAB Cc1cccc(COn2cccc(C(=O)Nc3nc4ccccc4s3)c2=O)c1 5054915 DMCGHPRHPAKGRC-UHFFFAOYSA-N 391.452 3.648 0 40 GHAB COc1ccc(OC)c(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)c1 10325712 MBIFBZAGMXCXCF-UHFFFAOYSA-N 390.439 3.548 0 40 GHAB COc1ccc(NC(=O)CSc2nccn2Cc2ccccc2OC)cc1 15825608 BTJOMNRODNASRH-UHFFFAOYSA-N 383.473 3.679 0 40 GHAB CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccccc2)CC1 22457004 KRADHUQCGOYLCW-VQIMIIECSA-N 388.606 3.802 0 40 GHAB CN1CCN(C(=O)CCC(=O)c2ccc(Cl)s2)[C@H](c2ccccc2)C1 40050490 URDBSIDYZVMLAX-HNNXBMFYSA-N 376.909 3.880 0 40 GHAB Cc1cc(C)n2nc(CC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)nc2n1 40130938 TUQJSJIVLMUTCT-UHFFFAOYSA-N 395.850 3.513 0 40 GHAB CC1CCN(Cc2ccc(CNC(=O)Cc3noc4ccccc34)cc2)CC1 29358396 PGMXBMGLXFJOLB-UHFFFAOYSA-N 377.488 3.919 0 40 GHAB C[C@@H](NC(=O)CSc1nnnn1-c1ccccc1)c1ccc2c(c1)CCCC2 7745272 PFNQQRLCPQKLPT-OAHLLOKOSA-N 393.516 3.511 0 40 GHAB C[C@H]1Oc2ccccc2N(CCC(=O)OCc2ccc(OC(F)F)cc2)C1=O 59892986 OIJCFULZRGBONT-CYBMUJFWSA-N 391.370 3.535 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccs1 779369 WETBTQXYYYJJBK-UHFFFAOYSA-N 386.502 3.960 0 40 GHAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1 1634422 OVAXVKURYLESPY-UHFFFAOYSA-N 382.445 3.734 0 40 GHAB CC(C)C[C@@H](C(=O)NCc1ccccc1Cl)N1C(=O)c2ccccc2C1=O 3341598 BZIBGFZISWVMMY-SFHVURJKSA-N 384.863 3.667 0 40 GHAB CCc1ccc(NC(=O)CSc2nc3c(c(=O)n2CC)S[C@@H](C)C3)cc1 4107929 RSWYMDZTHYSNKX-LBPRGKRZSA-N 389.546 3.593 0 40 GHAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1ccc(OC)cc1OC)C2 4857119 IHAGMJHQNZUZHY-MQVJKMGUSA-N 377.554 3.786 0 40 GHAB COc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 6056821 BUILKJSKWJXCBO-LLVKDONJSA-N 398.242 3.951 0 40 GHAB CN(C)C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl 6544181 XSOGYJFKEAQIPC-UHFFFAOYSA-N 382.243 3.817 0 40 GHAB CCCCCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 6597090 UQCFZMHCBWGJLE-UHFFFAOYSA-N 388.533 3.805 0 40 GHAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(C)s1 6680076 RPJXKOCWZBALBL-UHFFFAOYSA-N 393.317 3.914 0 40 GHAB CCOC(=O)c1c(NC(=O)CNc2ccc(F)cc2)sc2c1CCCC2 2648425 WWPGURYESXNCPK-UHFFFAOYSA-N 376.453 3.993 0 40 GHAB CCOc1cc(CNc2nnnn2C)cc(Cl)c1OCc1ccccc1F 8254182 VUDFRKCWTAAAFJ-UHFFFAOYSA-N 391.834 3.592 0 40 GHAB CCn1c(S)nc2cc(C(=O)N3CCC[C@H]3c3ccccc3)ccc2c1=O 102675316 LBPOPGUBFJMRIY-SFHVURJKSA-N 379.485 3.682 0 40 GHAB NC(=O)c1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 675611 BWXGFFUQMVUJEE-UHFFFAOYSA-N 389.889 3.780 0 40 GHAB CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@@H](c1ccccc1OC)C2 9938764 WJQWFLBOKKZTSQ-HNNXBMFYSA-N 391.475 3.632 0 40 GHAB COc1ccc(-c2nc(COC(=O)c3ccc4c(c3)NC(=O)CS4)co2)cc1 42678959 WGIMYSVKVRUJDW-UHFFFAOYSA-N 396.424 3.751 0 40 GHAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1c(Cl)nc2ccccn12 47296575 ACRIDNDJLYQPNL-UHFFFAOYSA-N 382.895 3.904 0 40 GHAB CCc1nccn1[C@@H]1CCCN(CC(=O)N(CC)c2nc3ccccc3s2)C1 106215585 WYYDCOFMJJAEFO-MRXNPFEDSA-N 397.548 3.745 0 40 GHAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc2cc(Br)ccc2[nH]1 24843156 YLSZCZUBFXXQNP-QGZVFWFLSA-N 398.304 3.935 0 40 GHAB CCCNC(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 57570188 KBTPIWAFCSCGHL-UHFFFAOYSA-N 384.358 3.599 0 40 GHAB COC(=O)COc1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 24952116 ZRNUKCNGJHEIIW-UHFFFAOYSA-N 397.349 3.570 0 40 GHAB O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(Cn2ccnc2)c1 55741271 MNWCJCSKXHAAGG-UHFFFAOYSA-N 388.471 3.810 0 40 GHAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccsc1 25331026 WCJZMGNTTKLPRL-KRWDZBQOSA-N 391.924 3.561 0 40 GHAB C=CC(=O)NCc1ccc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)cc1 57217797 DBZUWAKRMCBMQY-UHFFFAOYSA-N 392.499 3.789 0 40 GHAB O=S(=O)(Cc1noc(-c2ccsc2)n1)c1nc(-c2ccccc2)cs1 47941751 DQFACLVXGPQDKZ-UHFFFAOYSA-N 389.483 3.896 0 40 GHAB CCOc1ncccc1C(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl 26888788 QGKGUQHJTFUVND-UHFFFAOYSA-N 396.274 3.888 0 40 GHAB COc1ccc(OCc2nnc3sc(/C=C/c4ccccc4OC)nn23)cc1 35655365 HPOGTZUYMBNOCS-KPKJPENVSA-N 394.456 3.952 0 40 GHAB CCCOc1cccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)c1 27022606 WGNPCTTYVGRLEG-IHFZGXTKSA-N 389.480 3.658 0 40 GHAB CCCCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 27989214 PQDDMBGURRWNLL-LJQANCHMSA-N 388.533 3.730 0 40 GHAB CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccccc3C)cc2)CC1=O 10462080 QOJUESKJTJCKLW-SFHVURJKSA-N 393.487 3.834 0 40 GHAB CCCNC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2233174 JTKDLBKHKDPPDM-UHFFFAOYSA-N 379.851 3.949 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C 10541016 GGVXOQGZBNIECU-UHFFFAOYSA-N 387.443 3.936 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N=c1[nH]c2ccccc2[nH]1 3324246 GRBGMWIXEPXYNH-UHFFFAOYSA-N 379.851 3.752 0 40 GHAB CCOc1cc(/C=C2\N=C(c3ccco3)OC2=O)cc(Cl)c1OC(C)=O 2302812 UNBUAIPLXUJGLR-JYRVWZFOSA-N 375.764 3.602 0 40 GHAB COc1ccc(NC(=O)COC(=O)/C=C/c2cccc(Br)c2)cc1 3309264 XYHICEXKVDVAKR-BJMVGYQFSA-N 390.233 3.653 0 40 GHAB Nn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1F 2335110 NDKMZWPVMCJITR-UHFFFAOYSA-N 393.447 3.682 0 40 GHAB Cc1cc(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)c2cnn(C)c2n1 36616901 KOMSDBOYLBNWRV-UHFFFAOYSA-N 398.829 3.566 0 40 GHAB COc1cccc(-c2cc(C(F)(F)F)nc(NCc3cnn(C)c3C)n2)c1 36613699 QMFKPIGBCGZTQE-UHFFFAOYSA-N 377.370 3.825 0 40 GHAB Cc1cc(C)cc(OCC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c1 8118085 JTODRMKNCUKIAM-HXUWFJFHSA-N 383.879 3.975 0 40 GHAB CC(=O)N(C)c1nc(CSc2nnc(COc3ccc(C)cc3)o2)cs1 48355152 BVVGXIBPNGWUNB-UHFFFAOYSA-N 390.490 3.689 0 40 GHAB CC(C)[C@H](NCC(=O)N1CCc2ccccc21)c1ccc2c(c1)OCCCO2 12862453 GQYWOBCFJYMBMA-QHCPKHFHSA-N 380.488 3.724 0 40 GHAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 12856354 JHBPFXIYYZOJBQ-FXAWDEMLSA-N 380.488 3.814 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O)NCc1ccco1 409216580 JNDVIIPOSSZYSI-WQRHYEAKSA-N 392.436 3.786 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@H](C)Oc1ccccc1Cl 12916945 DVGURXGNZUBFSD-LBPRGKRZSA-N 381.259 3.824 0 40 GHAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cc2c(cc1Cl)OCO2 12933699 XDTNASDSHCRWKP-UHFFFAOYSA-N 395.242 3.871 0 40 GHAB Cc1nc(SCC(=O)NCc2ccccc2)c2cnn(-c3ccccc3)c2n1 8391701 SHEKXYCEEJPVNE-UHFFFAOYSA-N 389.484 3.532 0 40 GHAB CC(C)CC(=O)Nc1ccc2c(c1)nc(CNC(=O)c1ccc(Cl)nc1)n2C 13734597 DPKWIRRGQKEYJR-UHFFFAOYSA-N 399.882 3.536 0 40 GHAB Cc1ccc(CC(=O)N2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 306137915 RJZRLZDQLIALMP-OAQYLSRUSA-N 397.482 3.658 0 40 GHAB CCN(CC(=O)Nc1cc(Cl)ccc1F)CC(=O)Nc1c(F)cccc1F 13985939 ODLSHICSJHSQIY-UHFFFAOYSA-N 399.800 3.656 0 40 GHAB COc1cc(NC(=O)c2cccs2)c(C(=O)NCc2ccccc2)cc1OC 14129294 QIXIVNFWPLFCBC-UHFFFAOYSA-N 396.468 3.948 0 40 GHAB CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 14253857 WPPRLCKIOIURIF-UHFFFAOYSA-N 386.517 3.922 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Cc3cccs3)n2C)c1C 5579287 GKMFWWVUKNZWQJ-UHFFFAOYSA-N 388.518 3.590 0 40 GHAB Cc1ccc(-c2noc(CN([C@H]3CCCc4ccccc43)S(C)(=O)=O)n2)cc1 6661864 ZONMVXDLZMLRIL-IBGZPJMESA-N 397.500 3.884 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)c1nccnc1-c1nc2ccccc2s1 6662421 LQWLQPQDZJOIEO-UHFFFAOYSA-N 390.424 3.777 0 40 GHAB O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 114665738 YCKQBVYHEZWWBQ-UHFFFAOYSA-N 382.363 3.603 0 40 GHAB COc1ccc2c(CN(C)Cc3cnn(-c4ccccc4)c3)cc(=O)oc2c1 15037701 HHUIFDJKJPPKLS-UHFFFAOYSA-N 375.428 3.619 0 40 GHAB C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1ncccn1)c1ccccc1 6912815 BTRMUTIRKGDPAF-OAHLLOKOSA-N 392.484 3.698 0 40 GHAB CCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1 67237624 JOLBJEKPXSQPDA-UHFFFAOYSA-N 398.532 3.982 0 40 GHAB CC(=O)NCCCc1ccc(C(=O)CSc2ncnc3sccc23)cc1 8750897 OFCIUDXTDWAURV-UHFFFAOYSA-N 385.514 3.735 0 40 GHAB Cc1cccc(NC2=N[C@@H](c3ccc(Cl)cc3)n3c(nc(C)cc3=O)N2)c1 7495826 UWIWTKRJRKVNDV-GOSISDBHSA-N 379.851 3.954 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)CCc2ccc(OC)c(OC)c2)c1 9053547 HSABVJFMXHMWGU-UHFFFAOYSA-N 384.476 3.757 0 40 GHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(OC)c(Cl)c1)cn2C 22237264 LRZLPHCKQAZRJQ-UHFFFAOYSA-N 386.835 3.852 0 40 GHAB O=C(CC1CCCC1)N1CCCN(C(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 71821480 GHYIJJDJHQZIAU-IRXDYDNUSA-N 388.474 3.996 0 40 GHAB O=C(Cc1cc(F)c(F)cc1F)Nc1nc(CCc2c[nH]c3ccccc23)n[nH]1 95480749 UYBMUGAXMGSCJU-UHFFFAOYSA-N 399.376 3.670 0 40 GHAB CC(C)c1c(NC(=O)CO[C@@H]2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C 78808603 KYRPBBLINNOOLP-SJLPKXTDSA-N 385.508 3.833 0 40 GHAB CCN(CC)C[C@H]1CCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 78950492 CRBJTMKFGZDLFD-LEWJYISDSA-N 393.575 3.944 0 40 GHAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC[C@H](C)c1ccncc1 79018583 MDUYDQRFCXSXDA-NWDGAFQWSA-N 381.245 3.670 0 40 GHAB Cc1ccc(-n2nc(C)c(CC(=O)Oc3ccc(C(N)=O)cc3)c2C)cc1Cl 89643366 UNRHYYSKASBCFA-UHFFFAOYSA-N 397.862 3.698 0 40 GHAB COCc1nn2c(C)c(C(=O)Nc3ccc(F)cc3)nnc2c1-c1ccccc1 21006119 VJQPDZPNXDSXAT-UHFFFAOYSA-N 391.406 3.638 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)c(Cl)c1 20111832 YQHRMEATRSYAGT-UHFFFAOYSA-N 383.853 3.716 0 40 GHAB Cc1ccc(-n2ncc(C(=O)NC[C@@H]3CCN(C4CC4)C3)c2C2CC2)cc1Cl 517494031 PMMOASZFBKNNAX-HNNXBMFYSA-N 398.938 3.926 0 40 GHAB O=C1N[C@H](c2cccc(F)c2)Nc2c1cnn2-c1cccc(C(F)(F)F)c1 32909406 FTCSJEAZEMIRFR-OAHLLOKOSA-N 376.313 3.884 0 40 GHAB COc1ccc2cc(C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)n(C)c2c1 524735088 UKGGDGLOPWIIKV-KRWDZBQOSA-N 380.444 3.621 0 40 GHAB CC(C)OC(=O)Cn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 31903577 GRQQVTNCPJHXPQ-GOSISDBHSA-N 391.471 3.504 0 40 GHAB Cn1c(C(=O)O[C@H](C(=O)NCc2ccco2)c2ccccc2)cc2occc21 35315793 STBKQNIKYJCYCN-IBGZPJMESA-N 378.384 3.579 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)o1 33146390 OGIZVYUDJJGBHW-UHFFFAOYSA-N 391.276 3.916 0 40 GHAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 32610047 PCMWJOVXTJAYOF-GJZGRUSLSA-N 394.258 3.844 0 40 GHAB Cc1ccc(CN2CCC(C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)CC2)cc1 39757659 UHKAJOMQFOZNDA-NHCUHLMSSA-N 385.596 3.691 0 40 GHAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(Br)c(OC)c1 72414372 BJPGCDPKHAENPR-UHFFFAOYSA-N 384.295 3.981 0 40 GHAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccccc2OC)c1 225787186 SWLBPDYBYQFLCT-AWEZNQCLSA-N 388.489 3.626 0 40 GHAB COc1cccc(N2C(=O)C[C@H](c3ccccc3OC)c3sc(=O)n(C)c32)c1 49547165 XGCIVZBGYISUTJ-MRXNPFEDSA-N 396.468 3.664 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Cl)c3C)c(C)cc21 223354271 DRIBWATWFWEEOW-UHFFFAOYSA-N 380.853 3.685 0 40 GHAB Cc1cccc(CNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 222536385 YIABBRVUEBJXHZ-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 225093161 FSXFQVFCLCDEJK-MOPGFXCFSA-N 382.504 3.706 0 40 GHAB CS(=O)(=O)N[C@@H](CC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 225950871 XERUAKDMLFNVEB-HNNXBMFYSA-N 387.288 3.613 0 40 GHAB Nc1ccc(-c2nn3c(Cc4ccc(Br)cc4)nnc3s2)cc1 226299902 AHYDXBUGYKBXMT-UHFFFAOYSA-N 386.278 3.788 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCSCc1ccccc1 225434414 ZJZSAENLILPOSP-MRXNPFEDSA-N 388.508 3.612 0 40 GHAB Cc1ccc(NC(=S)c2c(N)nc(N3c4ccccc4C[C@H]3C)[nH]c2=O)cc1 40385602 OFZBEOJUFCEXSZ-CYBMUJFWSA-N 391.500 3.531 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2CN(CCCc3ccccc3)C[C@H]2C1 96080947 JTHNRDBHUACLLY-SFTDATJTSA-N 382.935 3.906 0 40 GHAB Cc1nc(C2CCN(C(=O)Nc3ccccc3Oc3cccnc3)CC2)no1 96136095 INKAGIJOGACAMQ-UHFFFAOYSA-N 379.420 3.977 0 40 GHAB Cc1nc(-c2cccc(NC(=O)N[C@H]3CCO[C@@H](c4nccn4C)C3)c2)oc1C 578154622 IUZDUVZUQBYOFP-ZWKOTPCHSA-N 395.463 3.734 0 40 GHAB Cc1noc(C)c1CN1CCC2(CC1)C[C@H](CC(=O)N(C)C)c1ccccc12 96052707 HRQFHJBEWNJYPR-SFHVURJKSA-N 381.520 3.791 0 40 GHAB COc1ccc2c(c1)OCCN(C(=O)c1ccccc1OCc1cccnc1)C2 585080565 DUCOEDBBSBSKOD-UHFFFAOYSA-N 390.439 3.704 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cccc(F)c2)CC1 257208922 BOBRELJYPCYMIB-CBGDNZLLSA-N 383.467 3.634 0 40 GHAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)c3c(F)cccc3F)C2)cn1 257308147 TVPFYAWNZNNBSM-CQSZACIVSA-N 398.413 3.731 0 40 GHAB CC1(C)[C@H](NC(=O)CCO)[C@@]23CCO[C@H](c4ccc(Cl)cc4)[C@H]2C[C@@H]1C3 257237340 HGAUPDSDRDBCMT-NMZRWAFMSA-N 377.912 3.721 0 40 GHAB Cc1ccc(O)c([C@H]2C[C@@](C)(NC(=O)CCO)C[C@@H](c3ccc(F)cc3)O2)c1 257207683 BITOCPIMSSPJIJ-VWPQPMDRSA-N 387.451 3.690 0 40 GHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCCN(Cc2ccccn2)C1 257308516 TWZPOTAFRFFKMI-HNNXBMFYSA-N 380.517 3.773 0 40 GHAB O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Cl)s1)CC2)c1ccoc1 90582679 REKNHEDGGRPWHT-UHFFFAOYSA-N 393.877 3.902 0 40 GHAB COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1 672632622 DEOLMZYLJOHPTQ-FZKQIMNGSA-N 385.439 3.938 0 40 GHAB O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 678646950 KQGAJPHUYJBMNJ-ROUUACIJSA-N 392.499 3.962 0 40 GHAB Cc1ccc(C2(C(=O)N3CCC[C@]4(CCN4Cc4c(C)noc4C)C3)CC2)cc1 585101942 NAOPQAIRFUAXAM-QHCPKHFHSA-N 393.531 3.899 0 40 GHAB NC(=O)[C@]1(c2ccccn2)CCCN1Cc1ccccc1OCc1ccccc1 585261915 RULKQWHENNVJTG-XMMPIXPASA-N 387.483 3.637 0 40 GHAB CN1C[C@@H](C(=O)Nc2scnc2-c2ccc(F)cc2)c2ccccc2C1=O 585140002 DMMKKXQYNUXVQG-MRXNPFEDSA-N 381.432 3.757 0 40 GHAB Cc1cc(C(F)(F)F)nc(N[C@@H]2CCCCCN(C(=O)Cc3ccoc3)C2)n1 1615611088 JOYHEMQXNMWFKZ-OAHLLOKOSA-N 396.413 3.823 0 40 GHAB Cc1occc1-c1nc(NCc2ccc3c(c2)OCO3)ncc1-c1cnccn1 12252448 HDHQMNWUQITBJA-UHFFFAOYSA-N 387.399 3.843 0 40 GHAB CCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)CC)cc1 13479913 PMHNTWGWKAZFLI-UHFFFAOYSA-N 380.444 3.879 0 40 GHAB Cc1cc2cc(CNc3ccc(N4CCC[C@@H](O)C4)cc3)c(=O)[nH]c2cc1C 13479975 DYTBQYOIQOLOGR-OAQYLSRUSA-N 377.488 3.718 0 40 GHAB CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@@H](C)Oc1ccccc1 13850203 XUSNFWGATHIGCU-MRXNPFEDSA-N 396.516 3.847 0 40 GHAB C[C@@H](NC(=O)CCCc1nc(-c2cccnc2)no1)c1nc2ccccc2s1 19459843 AZANRBAVCKXOLT-CYBMUJFWSA-N 393.472 3.941 0 40 GHAB CCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 19502101 AYRVXEKHBXNOJV-LJQANCHMSA-N 379.508 3.923 0 40 GHAB COc1ccccc1CC(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19569604 SSYIPUZTYSVKPH-IBGZPJMESA-N 376.460 3.777 0 40 GHAB CC(=O)N[C@H]1CCO[C@@H](c2cccc(NC(=O)c3ccc4ncccc4c3)c2)C1 19712275 KRMDLAZJDLXJMU-RBBKRZOGSA-N 389.455 3.843 0 40 GHAB CCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc(OC(F)F)cc1 19911216 KCVVCVWXZMVWLN-UHFFFAOYSA-N 376.338 3.823 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 19935611 RWIVTDGLTLEIEX-UHFFFAOYSA-N 396.871 3.824 0 40 GHAB COc1ccc(C)cc1/C=C/C(=O)NCCc1ccc(OC(F)F)c(OC)c1 8360638 JYPLWMORCASRBG-RMKNXTFCSA-N 391.414 3.986 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cc(Br)c3nc(N)sc3c2)cc1 226314617 AXSFWMBOHWJHML-UHFFFAOYSA-N 398.307 3.750 0 40 GHAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@](O)(c2ccc(F)cc2)CC1 19332936 HONBKJKKGXVSTJ-PZJWPPBQSA-N 389.854 3.683 0 40 GHAB Cn1ccc2cc([C@@H](O)CNC(=O)c3ccc(OC(F)(F)F)cc3)ccc21 244914749 BBTMMFFDGAUUOX-KRWDZBQOSA-N 378.350 3.540 0 40 GHAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 4854486 QGSUWUOMOLUOBJ-OAQYLSRUSA-N 391.427 3.863 0 40 GHAB CC(=O)c1s/c(=N\c2c(C)cccc2C)n(CCCN2CCOCC2)c1C 4940155 XSIJGPQJENLWER-DQRAZIAOSA-N 387.549 3.632 0 40 GHAB COc1ccc(OC)c(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c1 5269384 IKTFBDLGKXKVOL-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB CC(C)C(=O)N1CCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2C1 8977057 IOJWREYSOYDGPW-UHFFFAOYSA-N 392.908 3.682 0 40 GHAB Cc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)n2nnnc2N3)c1 10336856 YZYBBNLLDYIWLR-YADHBBJMSA-N 394.438 3.936 0 40 GHAB CCC(=O)N1CCCc2ccc(NC(=O)NCCc3ccc(OC)cc3)cc21 22502864 JAPNKTSUNRWKJE-UHFFFAOYSA-N 381.476 3.749 0 40 GHAB C[C@H](NC(=O)C1CC1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 23181445 SNXVFWOKNAKOTF-MGPUTAFESA-N 387.524 3.665 0 40 GHAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)[C@H](c1cccs1)N1CCOCC1 23182621 RXORUYSBLFGGNO-SUMWQHHRSA-N 379.913 3.985 0 40 GHAB O=C(c1cc(Br)cs1)N1CC[C@@H](Oc2ccncc2Cl)C1 575605575 LAOKXPWYRMGFCP-SNVBAGLBSA-N 387.686 3.853 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OCc1ccc(C)cc1 5255041 CZBSZLCSLVRIGE-UHFFFAOYSA-N 398.846 3.950 0 40 GHAB O=Cc1cn(CC(=O)Nc2ccccc2F)c2ccc(Br)cc12 17076734 MVDCTQVMXNJEQY-UHFFFAOYSA-N 375.197 3.994 0 40 GHAB O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4C(c5ccc(Cl)cc5)=NO[C@@H]34)[C@H]2C(=O)N1c1ccccc1 13691279 MAAYCDPIHURLKL-GZKCFLEVSA-N 392.842 3.515 0 40 GHAB O=C(NCc1cccnc1OC1CCCC1)c1cccc(Nc2ncccn2)c1 40089413 ZSXOXUYGXPDIMY-UHFFFAOYSA-N 389.459 3.867 0 40 GHAB COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2Cl)=C(C)Nc2ncnn21 40484538 MLQGNWXDMSBIFV-SFHVURJKSA-N 395.850 3.868 0 40 GHAB CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3Cc2ccc(Cl)cc2)c2ccccc21 32072054 LEVRCYRTFVBFPL-OAQYLSRUSA-N 392.846 3.839 0 40 GHAB COc1cccc(-n2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)c1 2250054 UXLYYAGDZVXYGP-UHFFFAOYSA-N 389.459 3.550 0 40 GHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccccc1OCC 2387573 BHOAGGLKLPWELS-UHFFFAOYSA-N 381.436 3.598 0 40 GHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(OCC)cc1 2419056 ASXUNMNZMRWWHU-HXUWFJFHSA-N 390.443 3.666 0 40 GHAB O=C(CCCc1ccccc1)Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2 2724862 XUYLTVRTNRNMFR-MHZLTWQESA-N 379.485 3.596 0 40 GHAB Cc1cc(C)n(C(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)n1 2778108 KKWNVRZOIHFNIR-UHFFFAOYSA-N 391.191 3.696 0 40 GHAB CCOc1ccc(Oc2ccc(NC(=O)[C@@H](NC(N)=O)[C@@H](C)CC)cc2)cc1 3382616 BRNBAPMAKVEDJJ-LIRRHRJNSA-N 385.464 3.899 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl 3429821 TXEPAKMCPWHJGI-UHFFFAOYSA-N 384.860 3.762 0 40 GHAB CC(C)CN(CC(C)C)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1N 3455594 KBYUHZAHMQLIDU-UHFFFAOYSA-N 395.960 3.545 0 40 GHAB O=C(CSc1nc(-c2ccccc2)ns1)N1CCN(c2ccccc2)CC1 4063142 JNJCEQTZUNDVEY-UHFFFAOYSA-N 396.541 3.646 0 40 GHAB C[C@@H]1C(c2ccc(F)cc2)=[N+]([O-])[C@@](C)(c2ccc(Br)cc2)N1O 4146242 RSIWYZBLPTWFQO-DIFFPNOSSA-N 379.229 3.854 0 40 GHAB COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 4520635 TXQUWQHQJWIHGM-LLVKDONJSA-N 378.787 3.561 0 40 GHAB O=C(c1ccccc1Cl)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 5025647 WHBYDKGEYANPNK-HNNXBMFYSA-N 398.311 3.823 0 40 GHAB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1c(F)cccc1Cl 5250631 PRVAJDKEJNBGSX-UHFFFAOYSA-N 382.844 3.661 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1 5367498 DOMNMBQRCBYRMF-UHFFFAOYSA-N 396.365 3.665 0 40 GHAB CCC(=O)Nc1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 5524241 YKBPUMKSUQNNDZ-UHFFFAOYSA-N 375.881 3.744 0 40 GHAB COc1cc2c(cc1NC(=O)CCNC(=O)c1ccco1)oc1ccccc12 5700569 FAYXUCCJZKSGMM-UHFFFAOYSA-N 378.384 3.946 0 40 GHAB CCCOc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2OC)cc1 5944179 XTFIJQYIUIDBHM-UHFFFAOYSA-N 399.443 3.629 0 40 GHAB COc1cccc(C2=N/C(=C\c3cc(Br)ccc3F)C(=O)O2)c1 6949166 NVURFKRTVGWDNS-DHDCSXOGSA-N 376.181 3.941 0 40 GHAB N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)NC(N)=O 7099534 VANNDNLVTGHUDN-UNOMPAQXSA-N 394.434 3.945 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cccc3ccccc23)cc1NC(C)=O 7688129 HQQAPGMFIMTPEI-AWEZNQCLSA-N 398.484 3.846 0 40 GHAB O=C(CCc1ccccc1F)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 8276641 ATRASEMDFFRIPO-UHFFFAOYSA-N 390.480 3.572 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NCc1ccc(Cl)cc1 8318932 VRSDZQLZPFIKBZ-GOSISDBHSA-N 386.879 3.565 0 40 GHAB CN1C[C@]2(Cc3c1ccc1ccccc31)C(=O)N(c1ccccc1)C(=O)N=C2O 8971300 AUHZXRJPXGQCOE-QHCPKHFHSA-N 385.423 3.942 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Sc2nnc(NC(C)(C)C)s2)cc1 9112841 BOYVCQQYFXAWQL-NSHDSACASA-N 380.539 3.554 0 40 GHAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccno3)sc2c1 10254138 NMRRRGRPMPOUEU-UHFFFAOYSA-N 380.429 3.925 0 40 GHAB COc1ccc(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1Cl 10327409 PRBJTZSMQRKLNB-UHFFFAOYSA-N 389.864 3.549 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2nccs2)CC1 10668861 YZPVDWFHUMNZBU-LLVKDONJSA-N 386.304 3.566 0 40 GHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(OC)c(OC)c1 11694363 KAWZJRSVZLCPGX-UHFFFAOYSA-N 385.395 3.680 0 40 GHAB CC(=O)Nc1ccc(CN2Cc3ccccc3OC3(CCC(CO)CC3)C2)cc1 12126483 CKLWFVDHEWKVHV-UHFFFAOYSA-N 394.515 3.961 0 40 GHAB O=C(N1CCCC1)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 12365652 ZOPIJUAYAWPGQW-UHFFFAOYSA-N 376.403 3.582 0 40 GHAB CCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccc(OC)cc2)c2ccccc21 12412017 KKZZXKDFCAGMID-XMMPIXPASA-N 399.450 3.987 0 40 GHAB COc1ccc([C@H](NC(=O)c2ccc(-n3cccc3)cc2)c2nccn2C)cc1 12548356 ZVFSLAFDZOMURX-NRFANRHFSA-N 386.455 3.739 0 40 GHAB CCNC(=O)NC(=O)[C@H](C)Sc1nc(Nc2ccccc2)c2ccccc2n1 12591981 DHGIAYYEWZKDJR-ZDUSSCGKSA-N 395.488 3.700 0 40 GHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 12784838 KEEYITSNVKLFKY-QFIPXVFZSA-N 396.874 3.869 0 40 GHAB CCNc1nnc(SC[C@H](O)COc2cc(Cl)ccc2Cl)s1 12797582 ZNJAAWWUNFEZEW-SECBINFHSA-N 380.322 3.809 0 40 GHAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1CCCOc1ccc(Cl)cc1 12920485 TZDFQGHJEPKAKO-IBGZPJMESA-N 397.862 3.753 0 40 GHAB COC(=O)c1ccc(CN(C)C(=O)c2cccc(OCc3cscn3)c2)cc1 12940120 XQGOXFOTRMRAPG-UHFFFAOYSA-N 396.468 3.781 0 40 GHAB Cc1ccc(-c2nnc(S)n2CC(=O)N(C)Cc2cccc(Cl)c2)cc1 12992060 JNRBUHWSHYADSA-UHFFFAOYSA-N 386.908 3.854 0 40 GHAB COc1cccc(OCCCN2CCN(c3nsc4ccccc34)CC2)c1 13729157 GLPKOKSGRYGXAX-UHFFFAOYSA-N 383.517 3.896 0 40 GHAB Cc1ccc(C(=O)CSc2nnc(N3CCCC3)n2Cc2ccco2)s1 14199468 XWEMOEXIQJIHJJ-UHFFFAOYSA-N 388.518 3.865 0 40 GHAB C[C@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccc(Cl)c(Cl)c1 14424857 GWGPSBREKAPIEB-NSHDSACASA-N 379.243 3.596 0 40 GHAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@@H](C)c1ccccc1 14484839 PFHLIAXQMHHZAW-UZLBHIALSA-N 385.483 3.714 0 40 GHAB COc1ccc(OCCC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 15827922 SJCGMTKKRMMYNF-HXUWFJFHSA-N 385.460 3.845 0 40 GHAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccccc1 16479220 QVFNMGJUERJRAI-UHFFFAOYSA-N 394.496 3.559 0 40 GHAB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C)c3ccccn3)cc2)cc1 16730870 GCPUVAUONCGHCM-HNNXBMFYSA-N 395.484 3.747 0 40 GHAB COc1ccc(OC)c(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)c1 19453615 UXYLUJDMZLQZSJ-UHFFFAOYSA-N 396.535 3.776 0 40 GHAB CCn1cc([C@H](NC(=O)[C@H](N)CC(C)C)c2ccc(F)cc2)c2ccncc21 19524812 APMNGZJCEGBCIP-TZIWHRDSSA-N 382.483 3.774 0 40 GHAB Cc1ncc(CN2CC[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)s1 19702524 IPGBTDKNVGGISG-ZDUSSCGKSA-N 386.546 3.753 0 40 GHAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3N3CCOCC3)no2)cc1 19715048 UFICXRMODJEIRV-UHFFFAOYSA-N 391.471 3.759 0 40 GHAB CC(C)(CNC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12)N1CCCCC1 19715336 STRHUHWKMXGMGD-UHFFFAOYSA-N 391.466 3.539 0 40 GHAB CC(=O)Nc1c(C(=O)NCCc2cn(C)c3ccc(F)cc23)[nH]c2ccccc12 19717729 WTYOFAQAGWMZPU-UHFFFAOYSA-N 392.434 3.730 0 40 GHAB CC(C)(C(=O)N1CCc2nc(-c3cncnc3)sc2C1)c1cccc(F)c1 19719839 ODPCWHRQTZWZEB-UHFFFAOYSA-N 382.464 3.602 0 40 GHAB O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20104337 AZWDBTXRJYLUJV-UHFFFAOYSA-N 378.881 3.813 0 40 GHAB COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCCC3)nn1-c1ccccc1)C2 20737265 BQRYTNHANUHWLI-UHFFFAOYSA-N 389.455 3.697 0 40 GHAB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccc(F)c(F)c1F 22917519 QPQMHZICPSSCCB-UHFFFAOYSA-N 397.828 3.514 0 40 GHAB CC(C)c1ccc(CN(C(=O)c2nn(C)c(=O)c3ccccc23)C2CC2)cc1 24376959 UGUDPPHPIYHNIQ-UHFFFAOYSA-N 375.472 3.862 0 40 GHAB Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(NC(N)=O)c3)CC2)c(C)c1 24453691 LYDGLFGQYKDZKJ-UHFFFAOYSA-N 379.460 3.529 0 40 GHAB COc1ccc2c(c1)CCCN2C(=O)CCc1c(C)nc2cc(C)nn2c1C 24876054 KNMJFFNSNGYGAK-UHFFFAOYSA-N 378.476 3.575 0 40 GHAB O=C(c1cccc(F)c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 25227147 JIFFQVMSGYYCMP-UHFFFAOYSA-N 381.234 3.731 0 40 GHAB COc1ccc(Cl)cc1CN(C)c1cc(C)nc2nc(C(F)(F)F)nn12 26725402 BKVPURBNHJCALI-UHFFFAOYSA-N 385.777 3.750 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)N(C)C)cc1 28290322 XZYBFVMVKGYQLV-IBGZPJMESA-N 378.472 3.751 0 40 GHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(SC)cc2)nn1 32070349 NKJYVCWBMORHQS-CQSZACIVSA-N 381.461 3.825 0 40 GHAB CCCn1nnc(NCc2ccc(OCc3cccc(Cl)c3)c(OC)c2)n1 32617028 UHYVEYJHOBQDLC-UHFFFAOYSA-N 387.871 3.936 0 40 GHAB CC(C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)Nc1ccccc1 32902231 NHSWNQAQTBZVNV-KSSFIOAISA-N 383.517 3.986 0 40 GHAB COC(=O)c1ccc2ccccc2c1OCC(=O)N1CCC(c2ccccc2)=N1 32905402 WTLCVAHMVFFRIC-UHFFFAOYSA-N 388.423 3.642 0 40 GHAB COc1ccc2[nH]c3nc(SCC(=O)Nc4c(C)cccc4C)nnc3c2c1 35312236 KNKIXVDJGPQNAW-UHFFFAOYSA-N 393.472 3.862 0 40 GHAB O=C(O)/C=C\C(=O)Nc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 38784977 TWVGAMMTNMOZSD-HJWRWDBZSA-N 378.306 3.537 0 40 GHAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc[nH]2)cs1 41784668 ZRSWGDFWUAHMIM-UHFFFAOYSA-N 375.475 3.574 0 40 GHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@@H](C)c1ccc(F)cc1F 42671712 VTFGPYPGJWOIED-BBATYDOGSA-N 396.384 3.875 0 40 GHAB O=C(CCc1ccccc1)NC1CCN(C(=O)CSc2ccccc2)CC1 43066134 VGSRTBPMLAFAFK-UHFFFAOYSA-N 382.529 3.519 0 40 GHAB CCOc1ccccc1NC(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 44006888 VSXPDAUJUAKNSY-UHFFFAOYSA-N 399.466 3.898 0 40 GHAB COc1cc2cc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)[nH]c2c(OC)c1OC 48332287 LLKUMIBLKWPYSB-LLVKDONJSA-N 386.370 3.608 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc(F)cc1)NC[C@@H]1CCN(c2ccccc2)C1 51375808 FXRJDFUISBOYPZ-PGRDOPGGSA-N 381.495 3.605 0 40 GHAB CCn1cc(-c2nc(-c3ccc(OC)c(OC)c3)no2)c(=O)c2ccccc21 57354767 BPRIDVDNBRSPBS-UHFFFAOYSA-N 377.400 3.756 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccsc2c1=O 57425178 HABYZVPVWCTTRO-UHFFFAOYSA-N 377.466 3.738 0 40 GHAB O=C(NCCSCc1ccccc1)Nc1cccc(CN2CCCC2=O)c1 58057233 SOJQZBFVEOJWAU-UHFFFAOYSA-N 383.517 3.864 0 40 GHAB O=C(NCc1ccccc1C(F)(F)F)c1cn(-c2cccc(Cl)c2)nn1 67264163 ITUJSNJQDVBOJC-UHFFFAOYSA-N 380.757 3.870 0 40 GHAB CSc1ccccc1NC(=O)[C@H](C)N1CCC(c2nnc3ccccn23)CC1 67443077 JVTGWYPBJAMIPK-HNNXBMFYSA-N 395.532 3.658 0 40 GHAB CCc1cc(=O)[nH]c(-c2ccc(NCCCn3c(C)nc4ccccc43)nc2)n1 68659682 QVUSBDYRWLOXBH-UHFFFAOYSA-N 388.475 3.555 0 40 GHAB CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CCCc2occc21 69548862 YSLDWGPDCXSKBB-UXHICEINSA-N 380.488 3.773 0 40 GHAB Cc1cc(CSc2ccccc2C(=O)NCc2c(C)cc(C)[nH]c2=O)on1 69950999 IZADVMCHFRHURG-UHFFFAOYSA-N 383.473 3.510 0 40 GHAB O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)Nc1cccc(F)c1 71327991 FNCANZCJIKZKGQ-UHFFFAOYSA-N 379.435 3.756 0 40 GHAB O=C(CCN1CC[C@H](CSc2ccccc2)C1)NC(=O)NCc1ccccc1 72304962 QILGSFGSWGHLOK-IBGZPJMESA-N 397.544 3.517 0 40 GHAB CC(C)[C@@H](NCc1cnn(Cc2ccccc2)c1)c1nc(-c2ccncc2)no1 95348909 FFTUKIBNLZFEKK-HXUWFJFHSA-N 388.475 3.863 0 40 GHAB CCc1nc2cc(NC(=O)[C@@H]3CSCN3C(=O)c3ccccc3)ccc2o1 95365183 DTIZUSAOTDQFSX-INIZCTEOSA-N 381.457 3.544 0 40 GHAB C[C@H](NC(=O)CN[C@@H](C[S@](C)=O)c1ccccc1)c1cccc2ccccc12 95462643 FCMQYQPWECFJKK-JMWMNHOVSA-N 394.540 3.726 0 40 GHAB COc1ccc(CN2CCN(C(=O)C(C)(C)C)CC2(C)C)c(OC(F)F)c1 95997178 PRJOAELSWWXXDH-UHFFFAOYSA-N 384.467 3.766 0 40 GHAB COCCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96038152 NGAIYABNTLISTR-UHFFFAOYSA-N 392.434 3.697 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21 96321936 TVLNXYYUZLXIQC-UHFFFAOYSA-N 388.514 3.615 0 40 GHAB CCS(=O)(=O)[C@@](C)(Br)[C@H](O)c1ccc(-c2ccccc2)cc1 96521353 NUYYQECMFJLCCX-IAGOWNOFSA-N 383.307 3.933 0 40 GHAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCC2CCCCC2)Nc2ccccc21 100117743 VGQGWLODFISDMS-GNVZTASGSA-N 381.520 3.671 0 40 GHAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccccc2F)CC1 216408415 JDBBEXLBANFOBV-SFHVURJKSA-N 376.859 3.985 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 223061301 IFMWLAGWHZCECP-HXUWFJFHSA-N 384.545 3.782 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C 224516623 APKSNFCZSJPMST-NRFANRHFSA-N 396.531 3.953 0 40 GHAB CCOc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1Cl 225028589 KYKHCKSZJJPKNQ-UHFFFAOYSA-N 379.840 3.695 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)C(C)C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225225974 KZPPFAYCHMIPAZ-XHDPSFHLSA-N 395.352 3.699 0 40 GHAB CCOc1ccc([C@H](C)NC(=S)Nc2ncccc2OC)cc1OCC 225752531 FSDRWHPHNUOJCB-ZDUSSCGKSA-N 375.494 3.935 0 40 GHAB CC(C)c1ccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225870014 PBJDTDMSUALFLM-HNNXBMFYSA-N 390.505 3.612 0 40 GHAB CCc1cccc(C)c1NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 243758709 QAMVMNHTPJUVBJ-UHFFFAOYSA-N 394.924 3.924 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2CN(Cc3ccccn3)C[C@H]21 306126187 DPCNZDCLKRZQAY-IFMALSPDSA-N 394.471 3.643 0 40 GHAB CN1CCN(Cc2cccs2)C[C@H]1c1ncn2cc(-c3cccnc3)ccc12 306130194 IYZVJYSFPXWCKK-NRFANRHFSA-N 389.528 3.947 0 40 GHAB Fc1cc(I)cc(I)c1Cl 307562692 VYYMCOAPIRFPRV-UHFFFAOYSA-N 382.341 3.688 0 40 GHAB O=C(C(=O)N1CCCCC1)c1cn(CCOc2ccccc2)c2ccccc12 408572704 RWCPKJMYNGDKBL-UHFFFAOYSA-N 376.456 3.916 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)N1CCCCC1 408625212 RLGUJVSNQQVLJF-KRWDZBQOSA-N 386.517 3.661 0 40 GHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(C)c(C)c2)c(F)c1F 408627177 LAEUKVAMXPVEAP-UHFFFAOYSA-N 386.370 3.995 0 40 GHAB CCCCCNC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 408979104 LIKFHGXHEULGSS-FQEVSTJZSA-N 388.533 3.711 0 40 GHAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCCc2ccccc21 523049012 XXSWAAYOFFSDFT-DHIUTWEWSA-N 389.499 3.799 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)CC2(n3cccc3)CCOCC2)c(OC)c1 524734606 UYQKJUCLCQOXFT-FQEVSTJZSA-N 398.503 3.765 0 40 GHAB O=C(c1cc(C(F)(F)F)cnc1O)N1C[C@H]2CCCCN2c2ccccc21 635971795 LBUWXWKPMVOWKJ-CYBMUJFWSA-N 377.366 3.825 0 40 GHAB O=C(c1ccnc(C(F)(F)F)c1)N1CCc2ncnc(-c3ccsc3)c2C1 1565556257 ADKINFWAFKIJCT-UHFFFAOYSA-N 390.390 3.817 0 40 GHAB COc1ccc(CC(=O)NC[C@H](O)c2ccc(-c3ccsc3)cc2)cc1OC 1775966800 ZVENHAXKGMLUKY-IBGZPJMESA-N 397.496 3.825 0 40 GHAB CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@](O)(COc2ccc(C)c(C)c2)C1 2037912999 KAEHNXSBDWTFKT-QHCPKHFHSA-N 399.535 3.689 0 40 GHAB CCOC(=O)c1sc2ncnc(N3CCO[C@@H](c4ccccc4)C3)c2c1C 29524620 QHJSYZFSFVCIPK-OAHLLOKOSA-N 383.473 3.754 0 40 GHAB Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 796827 RWBGNWYUNIHBIV-HNNXBMFYSA-N 392.908 3.688 0 40 GHAB Cc1cc(C)nc(Sc2ccc(NC(=O)[C@H]3CC(=O)N(CC(C)C)C3)cc2)n1 29787806 UKWLCHVOJLUJFU-INIZCTEOSA-N 398.532 3.688 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc2c(C)cc3ccccc3n12 1223163 OJHZLKOPPGMZOV-UHFFFAOYSA-N 378.457 3.930 0 40 GHAB O=C(CSc1nnc2ccccn12)N[C@H](c1ccc(F)cc1)c1cccs1 8156733 YDEYZOCLFMUAAA-GOSISDBHSA-N 398.488 3.928 0 40 GHAB COc1ccc(NC(=O)N2CCN(c3nc4ccccc4n3C(C)C)CC2)cc1 1370987 IGXJAWKNKILOTD-UHFFFAOYSA-N 393.491 3.980 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cccc3ccccc23)c1C 3290458 PEQPNLSRYZPSHI-UHFFFAOYSA-N 394.427 3.757 0 40 GHAB CN1CCN(c2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)CC1 7105691 YDNCUVVAXDCFKK-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB CCc1nnc2c(N3CCN(c4cc(C)ccc4C)CC3)nc3ccccc3n12 7504158 ZWPOHLFSUDNXAR-UHFFFAOYSA-N 386.503 3.783 0 40 GHAB CCc1ccc([C@@H](NCC(=O)NC(=O)NC2CCCC2)c2cccs2)cc1 29937332 LXAGZIANGBYMHB-HXUWFJFHSA-N 385.533 3.758 0 40 GHAB Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4cccs4)CC3)n2)cc1 37176668 DESFCCWKGSOTHO-OAHLLOKOSA-N 382.489 3.626 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(CCCN(C)C)C3=O 16750770 GIKKVVXHBFDOOS-HXUWFJFHSA-N 394.446 3.737 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCCOc1c(C)cccc1C)(C3)C2 32957585 XAGDOVGNUVEZRB-MGAZVUHYSA-N 385.504 3.701 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)N(C)C)C3)n2)cc1 32913052 GEWMGZQCGMIPLE-INIZCTEOSA-N 386.521 3.705 0 40 GHAB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cccc(Cl)c1C 8415916 OIYDQJNCIDOLCD-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cc(C)ccc1C 8417348 KBKADLSTPXFTBT-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB CC(=O)N[C@@H](CC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccccc1 32967067 DKGMBJALUUKMAY-FQEVSTJZSA-N 391.471 3.801 0 40 GHAB Cc1cc(NC(=O)c2ccccc2I)sc1C(=O)O 21956546 GTWWWZCTYNKQOO-UHFFFAOYSA-N 387.198 3.612 0 40 GHAB Cc1ccc(-c2cc(C(F)F)nc(S[C@H]3CC(=O)[C@H]4OC[C@H]3O4)n2)cc1 102998429 QJZHUDPDGNIUET-VYDXJSESSA-N 378.400 3.565 0 40 GHAB O=C(NCc1ccc2c(c1)OCCO2)c1cc(-c2ccncc2)nc2ccccc12 17859630 XGOQESFOSAOOBH-UHFFFAOYSA-N 397.434 3.998 0 40 GHAB CCc1ccc(CN(C)C(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12326261 PVXYZXNIZIFISZ-NRFANRHFSA-N 393.531 3.558 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(F)cc2)CC1 2980776 HLUIJULEPMSLFY-UHFFFAOYSA-N 389.279 3.643 0 40 GHAB CCCc1ccc([C@H](C)NC(=O)CN2CCN(Cc3cccc(F)c3)CC2)cc1 22923169 LMWKNFHRYNLACC-IBGZPJMESA-N 397.538 3.773 0 40 GHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(F)cc2Cl)c1 23009329 JSQBWPTYCDSXAB-UHFFFAOYSA-N 375.831 3.821 0 40 GHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1ccsc1 23055242 YOEMDPBDSBCZMQ-UHFFFAOYSA-N 375.881 3.619 0 40 GHAB CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F 24485902 QSPSHXBXUUHWFU-UHFFFAOYSA-N 392.496 3.978 0 40 GHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(Br)cc2)c1C 991348 VGWQHXUNMJMUHA-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 23480927 CEAODMNGEZTPHJ-UHFFFAOYSA-N 399.343 3.808 0 40 GHAB COC(=O)c1cc(NS(=O)(=O)c2cccc3cc(C)cnc23)ccc1Cl 12538413 WLMXDAKFGPZYKY-UHFFFAOYSA-N 390.848 3.784 0 40 GHAB CC(=O)c1ccc(N2CCN(Cn3cnc4cc(C)c(C)cc43)CC2)c(F)c1 12544080 MGVZHMKUKRWQFQ-UHFFFAOYSA-N 380.467 3.775 0 40 GHAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(Cc2ccncc2)CC1 23804870 VPYWLTILMGJHRW-UHFFFAOYSA-N 399.560 3.636 0 40 GHAB Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2S(C)(=O)=O)cc1 1308267 IGUZFKKUVNQRFY-KRWDZBQOSA-N 393.306 3.868 0 40 GHAB O=C(CNc1ccccc1N1CCCC1=O)Nc1cccc(C(F)(F)F)c1 12632785 JOPBFSDAJOBDCH-UHFFFAOYSA-N 377.366 3.883 0 40 GHAB Cc1sc2nc(CN3CCOCC3)nc(NCc3ccccc3F)c2c1C 25776843 VGOWEIKOJQRQAS-UHFFFAOYSA-N 386.496 3.892 0 40 GHAB Cc1ccc(CNC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)[C@H]3CCN2C3)s1 108367161 ONASCAHBETVHEP-JKSUJKDBSA-N 396.482 3.523 0 40 GHAB CCC[C@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCCC2)CC1 20142137 MNNNWKWJEIMUJC-JOCHJYFZSA-N 396.583 3.707 0 40 GHAB C[C@@H](OC(=O)c1ccccc1OC(F)F)C(=O)N1CCCc2ccccc21 3399567 FIRSZIGOTSDXNN-CYBMUJFWSA-N 375.371 3.813 0 40 GHAB Cc1cc(N2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)nc(C(C)C)n1 12782357 RLJBMRRDNQWITI-UHFFFAOYSA-N 399.568 3.637 0 40 GHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCNC(=O)c2ccccc2)cs1 12793528 KKCKTRIDZYFXNT-UHFFFAOYSA-N 391.496 3.828 0 40 GHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](CCc2ccccc2)N1C(C)=O 2087423 MDGISEDFHJJVBF-RTWAWAEBSA-N 376.456 3.788 0 40 GHAB biogenic COc1ccc([C@@H]2CCCCCN2C(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 12783310 XMHYEWGOYOFQAE-PZJWPPBQSA-N 394.471 3.929 0 40 GHAB CN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2Cl)CC1 408628788 AGRWQNZXSWVVOY-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB CC(=O)Nc1ccc(NC(=O)COc2ccccc2-c2nc(C(C)C)no2)cc1 64579757 DYTRCHPPQOYMIN-UHFFFAOYSA-N 394.431 3.836 0 40 GHAB CC1(C)CC(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)CC(C)(C)N1 10556543 OQMRSKYOYXWPKF-UHFFFAOYSA-N 397.548 3.585 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N2CCC(NC(=O)c3ccccc3C)CC2)cc1F 48367692 RFTGIEVAFUXWCU-KRWDZBQOSA-N 397.494 3.664 0 40 GHAB COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4C)nc3C2)cc1 2399829 JNOFGZAILSTKKG-INIZCTEOSA-N 387.439 3.959 0 40 GHAB CC[C@@H](C)NC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2374286 KSCUIJNCDFAGTP-OAHLLOKOSA-N 387.487 3.938 0 40 GHAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](CN5CC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 118929630 CJUKMDBJDPZAEN-NHPREHGTSA-N 385.548 3.992 0 40 GHAB O=C(Nc1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1)c1ccco1 12817620 PHNRMJKEFHBGPI-UHFFFAOYSA-N 390.848 3.664 0 40 GHAB CN(C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 3555635 PGKZBXTZPIFCFI-ONNFQVAWSA-N 399.299 3.896 0 40 GHAB CC(=O)Nc1cc(NC(=O)C(=O)N[C@H](C)c2ccc3ccccc3c2)ccc1F 48800219 IRAAXAGDGPAZSQ-CYBMUJFWSA-N 393.418 3.753 0 40 GHAB Cc1ccc(C(=O)Cn2c(=O)n3nc(-c4ccccc4)nc3c3ccccc32)cc1 69350526 FLVOYKCLXGWQGM-UHFFFAOYSA-N 394.434 3.903 0 40 GHAB CCn1c(SCc2cc(=O)n3c(C)csc3n2)nnc1-c1cccs1 8394730 BZFKODACMUUFJY-UHFFFAOYSA-N 389.531 3.697 0 40 GHAB COc1cc(C(=O)Nc2nnc([C@@H](C)c3ccccc3)s2)cc(OC)c1OC 17045502 XQQZSRWHIUYEFA-LBPRGKRZSA-N 399.472 3.968 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2ccc(-c3cccs3)[nH]c2=O)c(OC)c1 63926919 RMJKXZBNKGPFHS-LBPRGKRZSA-N 384.457 3.612 0 40 GHAB Cc1ccc(-c2ccc3c([C@H]4CN(Cc5ccncc5)CCO4)nnn3c2)cc1 306141689 WEAVITLAIAUROY-JOCHJYFZSA-N 385.471 3.673 0 40 GHAB Cc1cc(C(F)(F)F)nn1CCC(=O)Nc1cnn(Cc2cccc(F)c2)c1 28238871 ACLVIIYKQLUSJV-UHFFFAOYSA-N 395.360 3.623 0 40 GHAB CCN1CCC[C@@H]1CNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 8764815 PLLNIPSBWGCCRH-MRXNPFEDSA-N 396.487 3.607 0 40 GHAB biogenic c1ccc(-c2csc3ncnc(N4CCN(C[C@@H]5CCCO5)CC4)c23)cc1 14017424 BKPZLTCEVZUCQB-KRWDZBQOSA-N 380.517 3.659 0 40 GHAB COc1ccc([C@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc1OC 4519935 AJGMRVSUWNETMV-OAHLLOKOSA-N 399.830 3.689 0 40 GHAB Cc1ccc(CNC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 6509459 URSJGEXMYQVCJK-UHFFFAOYSA-N 386.451 3.841 0 40 GHAB CC(C)c1ccc(NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 4601841 IKAOUINKLOGNBQ-SFHVURJKSA-N 398.484 3.795 0 40 GHAB C[C@H](NC(=O)CNC(=O)COc1ccccc1)c1ccc(-c2ccccc2)cc1 8752117 FELWOUCEPTZKFL-SFHVURJKSA-N 388.467 3.726 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)ccc21 64946796 KIQWCZNSISYTGF-UHFFFAOYSA-N 382.894 3.846 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1OC 408585082 CFDHZRGBUXOQSA-UHFFFAOYSA-N 378.450 3.681 0 40 GHAB CCOC(=O)CC1=CC(SCC(=O)NCc2ccco2)=Nc2ccccc2N1 64869771 PISMVFVLNPZDRD-UHFFFAOYSA-N 399.472 3.622 0 40 GHAB Cc1nnc(SCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)n1C1CC1 7121487 OUFCRZRIGYXLOF-UHFFFAOYSA-N 385.537 3.889 0 40 GHAB CN1c2ccccc2C(=O)N[C@H]1c1ccc(OCc2cn3ccccc3n2)cc1 15502299 LBSPCBRTYKACCG-JOCHJYFZSA-N 384.439 3.792 0 40 GHAB CN1C(=O)C(=C2C[C@@H](c3ccccc3)Sc3ccccc3N2)C(=O)N(C)C1=O 15670681 SEOKHSXBTVJOLE-KRWDZBQOSA-N 393.468 3.640 0 40 GHAB Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 7338027 UACSQCQXEFLWBD-UHFFFAOYSA-N 399.397 3.785 0 40 GHAB CCN(C(=O)COC(=O)[C@]1(C)CC1(Cl)Cl)c1nc2ccccc2s1 7653671 VJBXGKNBOMWFFY-HNNXBMFYSA-N 387.288 3.776 0 40 GHAB O=C(OCc1nnnn1-c1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 16458376 BYGWHEKRVXJHJE-UHFFFAOYSA-N 397.847 3.796 0 40 GHAB Cc1[nH]c2c(C)ccc(C)c2c(=O)c1CN1CCN(Cc2ccccc2)CC1 19793599 YRHZCGAIYRDFOV-UHFFFAOYSA-N 375.516 3.771 0 40 GHAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccc4c(c3)OCCCO4)ccc(F)c21 9869246 UETDRQXLDAYGPG-GFCCVEGCSA-N 385.391 3.694 0 40 GHAB O=C(c1cccc(F)c1)N1CCCN(CCOc2ccccc2Cl)CC1 97137965 JKXACKUUDHNBKT-UHFFFAOYSA-N 376.859 3.706 0 40 GHAB CN(C)C(=O)Nc1cccc(CNC(=O)Cc2c(Cl)cccc2Cl)c1 95401211 FMQHQBWNUMXDSC-UHFFFAOYSA-N 380.275 3.946 0 40 GHAB CCOc1cc([C@@H]2NC[C@H](C(=O)O)S2)ccc1OCc1cccc(F)c1 408975913 CRRQZTGNGDNEME-QZTJIDSGSA-N 377.437 3.592 0 40 GHAB C=CC(=O)N(CC)CC(=O)N1Cc2cc(OC)ccc2C[C@H]1C1CCCCC1 1545471734 LRDYCSJAZUMDAG-NRFANRHFSA-N 384.520 3.563 0 40 GHAB NC(=O)CSc1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9912439 SLVAKJFXNRXCTH-UHFFFAOYSA-N 384.457 3.558 0 40 GHAB CCc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1 79050915 KXXKCDDZGJEWCM-ZDUSSCGKSA-N 381.444 3.877 0 40 GHAB Cc1ncc(C(=O)NC[C@H]2Cc3ccccc3O2)c(Br)c1Cl 89505469 VSELVKRSGHIBDD-LLVKDONJSA-N 381.657 3.539 0 40 GHAB CCc1ccc(C2=NN(C(=O)c3cccc(F)c3)[C@@](O)(C(F)(F)F)C2)cc1 409094359 DQMVHPLTOUQIGI-SFHVURJKSA-N 380.341 3.889 0 40 GHAB CSc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c1 408612025 XYUXGFXAVMADBF-UHFFFAOYSA-N 378.519 3.656 0 40 GHAB Cn1cc(CN2CCC3(CC2)Oc2ccccc2-c2ncn(CC4CC4)c23)cn1 306133597 MQJWHQWOYCXRPZ-UHFFFAOYSA-N 389.503 3.577 0 40 GHAB Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)c3ccccc3)nc2c1 33067959 NOYMWCJYTDKWLN-UHFFFAOYSA-N 385.423 3.834 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cnn(-c2ccccc2)n1 36395235 HCNQAXWHUXNBGV-UHFFFAOYSA-N 389.440 3.578 0 40 GHAB CC(C)(C)C(=O)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 35598294 ZKPWFALRUIUESY-UHFFFAOYSA-N 390.531 3.775 0 40 GHAB COc1cccc(-c2nnc(NC(=O)c3n[nH]c4ccc(C)cc34)s2)c1OC 36752729 KQDVOQHBUQNZNT-UHFFFAOYSA-N 395.444 3.659 0 40 GHAB CC(C)C[C@@H](NC(=O)c1cc2ccccc2c(=O)s1)c1nnc2ccccn12 1565520223 PJVMRPXCZQMDGG-MRXNPFEDSA-N 392.484 3.821 0 40 GHAB O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(c2ccccc2F)CC1 38851355 CVAOYNGFRUQTQJ-IBGZPJMESA-N 399.485 3.526 0 40 GHAB O=C(C1CCOCC1)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 72362893 MWPVLCRFTRKREC-UHFFFAOYSA-N 385.439 3.541 0 40 GHAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 223477830 XGJIIGMGUALQLR-IRLDBZIGSA-N 398.478 3.601 0 40 GHAB CCOc1ccccc1CCCNS(=O)(=O)c1cc(C)c(OC)cc1C 222975549 KFAIFQQFCQEAGF-UHFFFAOYSA-N 377.506 3.622 0 40 GHAB CCOC(=O)c1c(-c2ccccc2)nc2c(Br)cc(Cl)nn12 228962326 LNBWRWXGISHHRS-UHFFFAOYSA-N 380.629 3.989 0 40 GHAB C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc2c(c1)CCC2 223216572 FNMHNQNWEZKFEF-GFCCVEGCSA-N 392.908 3.691 0 40 GHAB C[C@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NC(C)(C)C)n1 225896425 GVGSJSYXVNIWSV-JTQLQIEISA-N 375.464 3.959 0 40 GHAB C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N(C)CCc1ccccn1 225437372 DYMJMXUJGHXGSN-ZDUSSCGKSA-N 385.851 3.758 0 40 GHAB biogenic,in-vitro Cc1ccc(C)n1-n1c(CN2CCCC[C@@H]2C)nnc1CN1CCCC[C@@H]1C 225151474 GOIHVKYYGGDWPC-ROUUACIJSA-N 384.572 3.757 0 40 GHAB COC(=O)c1cn(S(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc12 222607627 XFRFQIMDJBLFMC-UHFFFAOYSA-N 381.812 3.599 0 40 GHAB Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(/C=C/C(=O)O)cc3)cc2)oc1C 40158016 NBEGEGWSRKPTPX-LFYBBSHMSA-N 398.440 3.857 0 40 GHAB COc1cc(C)c(C(=O)NCc2ccccc2CN2CCOCC2)cc1C(C)C 225669136 QYGHQZKYAWIZLI-UHFFFAOYSA-N 396.531 3.889 0 40 GHAB COc1nc(SC)ncc1/C=C1/SCCN1C(=O)c1ccccc1F 225240328 JTUIDAHBIBKRMC-NTEUORMPSA-N 377.466 3.534 0 40 GHAB Cc1noc(C)c1CC(=O)OC1CN(c2nc3c(Cl)cccc3s2)C1 77101431 JVBKOTAUIPBPDR-UHFFFAOYSA-N 377.853 3.529 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C)cc1 220147051 BXUWJAWVEIDVFQ-YLJYHZDGSA-N 388.533 3.725 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 222681618 BQVPAYWESNSTGC-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB O=C(CCc1ccccc1)NCc1nc(-c2cccc(Br)c2)no1 95471625 DFQPYLYSZSEHTQ-UHFFFAOYSA-N 386.249 3.748 0 40 GHAB O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC(N2CC[C@@H](O)C2)CC1 96099697 RVTYIHRYWONUQA-OAQYLSRUSA-N 384.907 3.678 0 40 GHAB CC[C@](Br)([C@H](O)c1ccc(Cl)cc1Cl)S(=O)(=O)CC 96521709 LDDAAYKPPKKIGU-VXGBXAGGSA-N 390.126 3.963 0 40 GHAB COc1ccccc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97994278 GEPUBYVMAHKHRJ-NBVRZTHBSA-N 387.399 3.579 0 40 GHAB Cc1cccc(S(=O)(=O)N2CC[C@]3(CCCN(Cc4ccc(C)o4)C3)C2)c1 96215908 IOPCYLVNCWBWOL-NRFANRHFSA-N 388.533 3.573 0 40 GHAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cnc(C)cn2)o1 257286065 PKAQJLNMVUYGOD-LJQANCHMSA-N 392.459 3.740 0 40 GHAB Cn1nccc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257294902 QWEWPAZQMOFPDW-OAHLLOKOSA-N 384.867 3.672 0 40 GHAB CCc1nnc(Nc2cccc([C@@H]3CN(CCc4ccccc4)CCO3)n2)s1 257219528 DHCINUBVPUIVAR-SFHVURJKSA-N 395.532 3.855 0 40 GHAB Cc1nc(-c2cc(F)ccc2C(=O)O)cc([C@H]2CCCN2C(=O)C(C)(C)C)n1 257343027 ZRDBXZYNQPXMJW-GOSISDBHSA-N 385.439 3.999 0 40 GHAB O=C1CCCN1C[C@H](N[C@@H]1CCCn2ccnc21)c1cccc(C(F)(F)F)c1 655690693 IRBVMYPWNFSYFT-SJORKVTESA-N 392.425 3.690 0 40 GHAB Fc1ccc(C[C@H](NCc2cnn3c2CCC3)[C@@H]2COc3ccccc3O2)cc1 657471858 IMNUUMYCJIKZKY-CVDCTZTESA-N 393.462 3.509 0 40 GHAB O=C(Nc1ccc(CN2CCOCC2)cn1)c1ccc(OC2CCCCC2)cc1 95976295 XMXBJSHWLNDALD-UHFFFAOYSA-N 395.503 3.878 0 40 GHAB Cc1c(NC(=O)CC(C2CCC2)C2CCC2)ccc(F)c1N1C(=O)CNC1=O 1616042535 BLCJWASFICNLOR-UHFFFAOYSA-N 387.455 3.735 0 40 GHAB CCOc1ccc(OCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 14093865 PLVUQHIRDSXMQC-UHFFFAOYSA-N 388.489 3.532 0 40 GHAB C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccc(Cl)cc1Cl 15997104 BHEFRKACNJVYIV-SECBINFHSA-N 382.272 3.642 0 40 GHAB CC(C)(C)CC(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccccc2)C1 19082675 LIMFCDOVSVZUBF-HXUWFJFHSA-N 378.516 3.907 0 40 GHAB COc1ccc(CN[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cc1 19285344 PHNUZUYDHUMHEK-HXUWFJFHSA-N 383.879 3.814 0 40 GHAB Fc1cccc(-c2ccc(CN3CCC[C@@H](c4nnc5n4CCNC5)C3)cc2)c1 19711040 GAYRYCUUGIHFEM-HXUWFJFHSA-N 391.494 3.567 0 40 GHAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1 19718339 ORHGNRRPCNTFCO-IBGZPJMESA-N 397.519 3.612 0 40 GHAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCN(C)C3 19940005 VACIIAZNJJKTHE-UHFFFAOYSA-N 387.530 3.556 0 40 GHAB CC[C@@H](C)n1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 6247060 OEBMXGCDSUZVEU-XWAFYUISSA-N 391.427 3.867 0 40 GHAB COc1cc(NC(=S)NC(=O)c2ccccc2)ccc1-c1ccc(C(=O)O)o1 226355431 ZYLSOWPATVHSAC-UHFFFAOYSA-N 396.424 3.780 0 40 GHAB Cc1ccccc1COc1ccc(/C=C/C(N)=O)cc1I 226333001 HDRYBNRNDRGHJD-VQHVLOKHSA-N 393.224 3.677 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)Cc1ccccc1OC)Cc1ccccc1O2 19592001 INDRTQJKIZRCMV-UHFFFAOYSA-N 394.515 3.560 0 40 GHAB CN(CC(=O)Nc1ccccc1I)C1CCCCCC1 12884987 CWNJZTZGHUMLDV-UHFFFAOYSA-N 386.277 3.884 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(=O)c2ccccc2o1 4079271 BNIOFYZYROOTFM-UHFFFAOYSA-N 392.392 3.898 0 40 GHAB COc1cccc(C(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)c1OC 4033191 QPSJADOMKVIWEM-UHFFFAOYSA-N 388.427 3.974 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)c1 4077916 WYHJREXQABFLFX-UHFFFAOYSA-N 378.523 3.870 0 40 GHAB CCc1ccc(S(=O)(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)s1 5330208 LPHSDIRSSNAKTA-UHFFFAOYSA-N 394.518 3.637 0 40 GHAB CCCCc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2OC)cc1 7455867 DVGSCJUDABLFMP-UHFFFAOYSA-N 377.444 3.836 0 40 GHAB COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc(C)c(Cl)c1 7457233 OQRHSKAXLFATCD-UHFFFAOYSA-N 383.835 3.764 0 40 GHAB COc1ccc(CCS(=O)(=O)NCCc2ccc(-c3ccco3)s2)cc1 2086896562 RGVVFQVJUCIDRM-UHFFFAOYSA-N 391.514 3.721 0 40 GHAB O=C([C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1)N1CCC(F)(F)CC1 2298188683 IBJUOZRJUVQNCY-LBPRGKRZSA-N 377.357 3.575 0 40 GHAB CCc1nn(C)c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)c1C 19521033 QHVKKHVTYVNTEX-TYPHKJRUSA-N 398.526 3.570 0 40 GHAB O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4C(c5ccccc5Cl)=NO[C@@H]34)[C@H]2C(=O)N1c1ccccc1 13719509 SQDUIBLQVHZPAX-DJRCMAJPSA-N 392.842 3.515 0 40 GHAB CCCc1noc(CCC(=O)NCc2ccccc2CN2CCC[C@H](C)C2)n1 40107135 LRIAQYORHHHMPD-KRWDZBQOSA-N 384.524 3.503 0 40 GHAB O=C(NC1CCCC1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 8081788 LHIFDZFKHMUJRY-UHFFFAOYSA-N 378.881 3.813 0 40 GHAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc21 803033 SVSDZBFINOVRBH-UHFFFAOYSA-N 385.272 3.568 0 40 GHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 894708 ZCNCAZXKXOIABL-UHFFFAOYSA-N 382.489 3.687 0 40 GHAB CC(C)(C)NC(=O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1 905132 BNZGADZHJIXCOA-UHFFFAOYSA-N 395.532 3.590 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)n1C 916567 LGSWALPIRXEBID-IYBDPMFKSA-N 388.537 3.584 0 40 GHAB COc1cc2c(cc1OC)-c1c(c(C(=O)NC(C)(C)C)nn1-c1ccccc1)C2 20733917 JCTZIUUBGKSIHT-UHFFFAOYSA-N 391.471 3.989 0 40 GHAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 32346614 AQUPGWHKIRSPER-INIZCTEOSA-N 395.484 3.716 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)c1 3528786 SZVVRMWGWVASHR-UHFFFAOYSA-N 395.532 3.996 0 40 GHAB Cc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1-n1cccc1 4518424 DIYRLXLPDDOZTP-UHFFFAOYSA-N 382.276 3.737 0 40 GHAB COc1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc(OC)c1 4535865 GSLSZFCRUVWYFQ-UHFFFAOYSA-N 389.408 3.624 0 40 GHAB Cc1ccc(C2=N/C(=C\c3ccc(I)o3)C(=O)O2)cc1 4714069 RDEDGGOGFYMLRT-WQLSENKSSA-N 379.153 3.537 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1ccccc1 4985990 ALVYTFNGMUVYFH-UHFFFAOYSA-N 391.456 3.712 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc1 6841755 AGTYDUUHOCEECQ-UHFFFAOYSA-N 386.517 3.651 0 40 GHAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)O[C@H]3C[C@@H](C)OC3=O)cc12 32736207 CPCVBIQDXYEKKQ-OTYXRUKQSA-N 390.848 3.910 0 40 GHAB CCC[C@@H](C)NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 6945625 UFVKBZCNPAGKCF-QGZVFWFLSA-N 388.533 3.880 0 40 GHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCCCCCC1 7479593 OUKXNICINNBNSI-UHFFFAOYSA-N 381.501 3.918 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)Cc2ccccc2)c1 8471294 IBYLMNCMKWKKKN-UHFFFAOYSA-N 388.423 3.907 0 40 GHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 8481141 IXCLFWQABWKGSC-QGZVFWFLSA-N 379.460 3.507 0 40 GHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)CC1=O 8217228 XBYQEMXUYGMSHN-ZDUSSCGKSA-N 397.500 3.598 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)NN(Cc4ccccc4)[C@H]3C2=O)cc1 102871104 LJNAFHHGVTUUSJ-XPWALMASSA-N 397.478 3.615 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 647479 YQYUBLRXPNKDCF-ZDUSSCGKSA-N 386.835 3.508 0 40 GHAB Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(N2CCCC2=O)cc1 22501942 SZTFFIGQFDJYLE-UHFFFAOYSA-N 395.484 3.697 0 40 GHAB Fc1ccc(OCc2nnc(S)n2-c2cnn(Cc3ccccc3)c2)cc1 2809703 FXMLXBRMLKWHMO-UHFFFAOYSA-N 381.436 3.519 0 40 GHAB Cc1[nH]c(C(=O)NCCCOc2ccccc2F)c(C)c1C(=O)OC(C)C 12392120 WWKRKAGQZSUNPL-UHFFFAOYSA-N 376.428 3.535 0 40 GHAB Cc1nnc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)s1 21791986 AXQKOOIIPALGBI-UHFFFAOYSA-N 393.428 3.581 0 40 GHAB O=C(C[C@H]1SC(=O)N(Cc2cccc3ccccc23)C1=O)Nc1nccs1 1020002 BJFIEJIFKXCBDR-OAHLLOKOSA-N 397.481 3.889 0 40 GHAB aggregator CCCc1noc([C@@H](C)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1 58167863 MYTHBXNQEXHTRO-CQSZACIVSA-N 376.888 3.585 0 40 GHAB COc1ccc(CN(C)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1OC 116180744 KNIAQBHAKBNZRV-UHFFFAOYSA-N 393.487 3.838 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)Cc1nc(-c2ccccc2)oc1C 24815628 NASLOIBGMAKBCT-UHFFFAOYSA-N 377.444 3.564 0 40 GHAB O=C(COC(=O)Cc1ccsc1)Nc1ncc(C(F)(F)F)cc1Cl 3270159 MTYGBKOARXWFQF-UHFFFAOYSA-N 378.759 3.540 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 25668966 UEISSYSRUXOQSZ-UHFFFAOYSA-N 377.448 3.862 0 40 GHAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Sc3ccc(C)cc3)n2)cc1 12654832 MFUWEHKCDGASCW-CQSZACIVSA-N 383.473 3.851 0 40 GHAB CCCn1c(SCCOc2ccc(C(=O)OC)cc2)nnc1-c1ccncc1 53259100 VEQIIKWTDAYSQK-UHFFFAOYSA-N 398.488 3.708 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1cccc2c1CCC[C@H]2O 10022205 AZEFLXCSMPWQDX-HXUWFJFHSA-N 391.471 3.876 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cncn1-c1ccccc1 8340898 ZUZXUAQXRVPARZ-UHFFFAOYSA-N 385.471 3.947 0 40 GHAB Cc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1 3341521 PKYBHCUPDUPXGH-QHCPKHFHSA-N 393.487 3.698 0 40 GHAB Nc1c(-c2nc(-c3ccc(F)cc3)no2)nnn1-c1cccc(C(F)(F)F)c1 10273054 ZBFOJKFSUBKFKB-UHFFFAOYSA-N 390.300 3.724 0 40 GHAB CC[C@@H](C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O 2115177 NAJIXICRHYUWHO-ZFUCPZCZSA-N 387.483 3.651 0 40 GHAB biogenic COc1ccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccccc2)cc1 3399844 MCWKTOKFZKYMGW-UHFFFAOYSA-N 396.516 3.950 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 3372265 SAKNDLVLMIMLHX-OAHLLOKOSA-N 397.500 3.531 0 40 GHAB O=C(Nc1ccccc1)[C@@H](CC(=O)N1CCCCCC1)C(=O)c1ccccc1 3318520 TYDMJDVTNBBRNW-FQEVSTJZSA-N 378.472 3.917 0 40 GHAB COc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1 36293922 ZFNQOUZSNZLJLR-UHFFFAOYSA-N 383.425 3.861 0 40 GHAB CN(CCCn1c(=O)oc2ccccc21)Cc1cc(Br)cs1 58428373 QFGUXFDFTRUGHL-UHFFFAOYSA-N 381.295 3.941 0 40 GHAB CC(C)C[C@@H](C(=O)Nc1ccnn1C1CCCC1)N1C(=O)c2ccccc2C1=O 12745986 OIOAKCLLHUOCQX-SFHVURJKSA-N 394.475 3.648 0 40 GHAB CC(=O)c1ccc(N2CCN(Cc3nnc(-c4ccc(F)cc4)o3)CC2)c(F)c1 12739711 YCFXUUGQZXEZKC-UHFFFAOYSA-N 398.413 3.540 0 40 GHAB COc1ccc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)cc1OC 36353794 VUKCAAUTSRQQPC-UHFFFAOYSA-N 380.448 3.770 0 40 GHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(F)(F)F)c1 12740600 NMKLQGDPWXPTCS-UHFFFAOYSA-N 376.331 3.604 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1ncccn1 2418964 CDEROPFDDIAWJX-QGZVFWFLSA-N 389.798 3.986 0 40 GHAB Cc1cccn2c(=O)c3cc(C(=O)N4CCCc5ccccc54)sc3nc12 2466937 CPNLRVNBHOIBDB-UHFFFAOYSA-N 375.453 3.811 0 40 GHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1 3423115 PRLLXLDZQDIJIQ-AATRIKPKSA-N 381.215 3.592 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C 3512559 BZNYHXCONOWPTI-AWEZNQCLSA-N 376.412 3.785 0 40 GHAB CN(C)[C@@H](CNC(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccccc1 12935328 WOBRUFSMZIFNFI-FQEVSTJZSA-N 382.895 3.618 0 40 GHAB COc1ccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)cc1 4029360 IBTIGCCZPSHGHE-SFHVURJKSA-N 375.428 3.805 0 40 GHAB biogenic Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 4161551 PLJMTZJEFHFLCS-UHFFFAOYSA-N 393.390 3.683 0 40 GHAB COc1ccc(OCCn2nnc3sc(-c4ccccc4)cc3c2=O)cc1 5183099 ZKEAFPPBHAVHHB-UHFFFAOYSA-N 379.441 3.608 0 40 GHAB O=S(=O)(Nc1ccc(-n2cc(Br)cn2)cc1)c1ccc(F)cc1 27918122 GGTAHLSHMTZTRC-UHFFFAOYSA-N 396.241 3.575 0 40 GHAB CC(C)c1ccc(C(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 4352042 UQCJTSUBDLGODZ-UHFFFAOYSA-N 379.412 3.503 0 40 GHAB COc1ccc(-c2nc(CC(=O)NCCOc3cccc(C)c3)cs2)cc1 14185204 MJOGTDIONBQXPZ-UHFFFAOYSA-N 382.485 3.865 0 40 GHAB O=C(C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc(F)cc1 4555377 RCJPZTGOLODVTG-HSZRJFAPSA-N 393.389 3.972 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)C(=O)NCC1(c2ccccc2)CCCC1 4525332 CXAJIHSZOKTVAJ-IBGZPJMESA-N 378.516 3.752 0 40 GHAB CC(=O)N1CCC[C@@H]1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 14201224 SVPKTLHFTXCDLM-OAHLLOKOSA-N 397.422 3.702 0 40 GHAB Fc1ccccc1-c1nc(-c2cccnc2)ncc1-c1nnnn1-c1ccccc1 6598331 GOPFABLRKZUUPY-UHFFFAOYSA-N 395.401 3.987 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccccn3)[C@H]2c2cccs2)cc1 6590399 CUZUTSMOGWANEO-RXVVDRJESA-N 391.496 3.862 0 40 GHAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1ccc2c(c1)OCO2 8762028 CTDDVGGZABOIHY-UHFFFAOYSA-N 386.354 3.598 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2Cl)c2ccc(C)cc21 4987946 GZAPFUMEUWDXFO-OAQYLSRUSA-N 387.863 3.631 0 40 GHAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)[C@@H]1C 4979827 GGXAALFNHOXMQN-INMHGKMJSA-N 398.459 3.630 0 40 GHAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N1CCc2ccccc21 6941980 VWJJUVFAEGWIFV-AWEZNQCLSA-N 380.469 3.750 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(F)cc1 6913966 RTYPNOOIWFTCRM-UHFFFAOYSA-N 378.379 3.630 0 40 GHAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nc2ccccc21 6974754 FVLIPAOFIYUORT-CQSZACIVSA-N 394.500 3.912 0 40 GHAB COc1ccc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1Br 15180299 OXPLDWUOCZTOFO-UHFFFAOYSA-N 398.640 3.733 0 40 GHAB CCOc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Br 9061823 SSQKLPOEIZHBLR-UHFFFAOYSA-N 391.674 3.697 0 40 GHAB CCOc1ccc(C(=O)CN2CCN(c3ccccc3F)CC2)cc1Cl 67206268 AXGGWTIUWVOWHZ-UHFFFAOYSA-N 376.859 3.883 0 40 GHAB O=C(Nc1ccccc1C(=O)NCCOc1ccccc1F)c1ccccc1 15373022 WKQPFUCZYSLLST-UHFFFAOYSA-N 378.403 3.887 0 40 GHAB Cn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccncc1 7112958 RNCJHDHKKGVNIH-SFHVURJKSA-N 393.516 3.723 0 40 GHAB C[C@H]1Cc2cc(-c3csc(NC4CCCC4)n3)ccc2N1S(C)(=O)=O 7273807 CRDXLRIFKJXJBC-LBPRGKRZSA-N 377.535 3.875 0 40 GHAB Cc1nnc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)s1 7986107 PYWDHHASTZKBGT-UHFFFAOYSA-N 395.307 3.914 0 40 GHAB Cc1ccccc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3C)C2)s1 9199299 ONFXGUIVKDZTJS-HNNXBMFYSA-N 392.484 3.928 0 40 GHAB C[C@@H](c1ccccc1)N1C(=O)N[C@@H](CCC(=O)NC2CCCCCCC2)C1=O 9420817 FQNMHNYEBKGYQJ-LPHOPBHVSA-N 385.508 3.677 0 40 GHAB Brc1nc(Br)n(Cc2csc(C3CCCC3)n2)n1 72307038 LWIJODVMARBHRY-UHFFFAOYSA-N 392.120 3.966 0 40 GHAB O=C([C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2)N1CCOCC1 72402167 IYIOTLKDOJEWCL-NRFANRHFSA-N 396.531 3.730 0 40 GHAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 72403214 JJDGHZQCSQAVIB-UHFFFAOYSA-N 395.890 3.864 0 40 GHAB O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 84436832 SKERYFDUIYAJEP-GFCCVEGCSA-N 380.416 3.840 0 40 GHAB COCCCOC1CN(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)C1 95446489 HMYXXCKTKPHTDC-UHFFFAOYSA-N 388.439 3.674 0 40 GHAB CC(C)NC(=O)Nc1ccc(C(=O)NCC2(c3ccncc3)CCCC2)cc1 95453017 RVIGYGBVPXPRJY-UHFFFAOYSA-N 380.492 3.853 0 40 GHAB O=C(CCC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccc2c(c1)CCC2 95980244 UQOILLVDNNSZPO-IBGZPJMESA-N 392.503 3.540 0 40 GHAB Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 69421278 LBMKJCDDCWNSHY-OAHLLOKOSA-N 376.378 3.683 0 40 GHAB Cc1ccccc1-c1cc(C(=O)NC[C@@H]2CCOC2)c2cnn(C(C)C)c2n1 41370115 HFWKYKAEMRZINV-INIZCTEOSA-N 378.476 3.754 0 40 GHAB CCn1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c(=O)c2cc(Cl)ccc21 32607750 LFYSRJMNPKQJOX-UHFFFAOYSA-N 383.835 3.886 0 40 GHAB CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O 409234232 JHGXKTSTYDLOMD-GZTJUZNOSA-N 384.407 3.716 0 40 GHAB Cc1cccc(CC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1 72331188 HAXBTALQRFPPKE-UHFFFAOYSA-N 376.250 3.790 0 40 GHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)Cc2ccccc2N2CCOCC2)o1 32215672 BVJUWXVQFWSNGP-UILBMPDPSA-N 380.488 3.911 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1C[C@@H]1c1ccco1 121787368 BWTAWYLSBSFHFG-KBPBESRZSA-N 380.366 3.877 0 40 GHAB COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1Cl 32601627 OVAXWXNEXVZJOH-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB Cc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)N4CCCC4)nc23)cc1 33262624 ZWPODXNERGDHTR-UHFFFAOYSA-N 399.541 3.685 0 40 GHAB CC(C)(C)c1cc(NC(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)n(-c2ccccn2)n1 567026294 IXOKPQNFIUYGKG-HZPDHXFCSA-N 395.507 3.598 0 40 GHAB CCc1cc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccccc3F)C2)on1 72362959 KZJZVFMWEKHFAV-CQSZACIVSA-N 396.422 3.978 0 40 GHAB CCCOC1(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)CCCC1 225654533 DCYCHDURRNOHTB-UHFFFAOYSA-N 388.508 3.756 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 222536819 VSQBSFDTKOSEIX-CQSZACIVSA-N 376.909 3.595 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 225484166 BIFPIQUEWHNHKU-GCJKJVERSA-N 396.531 3.960 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCC1(c2ccccc2)CCOCC1 223958733 AOBBPBZKJORLMH-LJQANCHMSA-N 383.488 3.717 0 40 GHAB CCSc1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222483477 NVXRMNPCBDNMMW-UHFFFAOYSA-N 378.519 3.755 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCCC2)n1 225891380 FERAEEHWUFKHPL-UHFFFAOYSA-N 390.601 3.790 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 222954927 DLFALWPBTQNINJ-FQEVSTJZSA-N 384.545 3.863 0 40 GHAB COC(=O)c1cn(S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc12 222596022 RRXDHGZFDDMQRV-UHFFFAOYSA-N 384.240 3.972 0 40 GHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CC2)c1C 223043991 GXMHCWNRHGKTHH-PMACEKPBSA-N 384.549 3.844 0 40 GHAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(CN2CCCCCC2)cc1 225272667 XRVQRFPJWQRCPP-FQEVSTJZSA-N 380.488 3.632 0 40 GHAB COc1cccc(NC(=O)N2CCC(Oc3ncccc3Cl)CC2)c1OC 96024838 KNAKTTLLPJPMFP-UHFFFAOYSA-N 391.855 3.828 0 40 GHAB CCS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1ccc(Cl)cc1Cl 96519901 QUHNAZVAPDPPOJ-ZJUUUORDSA-N 396.517 3.749 0 40 GHAB COc1ccc(-c2nc(-n3cccc3)sc2C(=O)NCc2cccnc2)cc1 95478064 WIOWHVBYABKUEA-UHFFFAOYSA-N 390.468 3.934 0 40 GHAB CN(C(=O)Cc1ccc(N2CCOC2=O)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 585084118 VLSSHYYDYHUMLH-GASCZTMLSA-N 384.398 3.765 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1 257303992 SJQAGYMUEBWFHQ-WKILWMFISA-N 385.512 3.552 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)n1 257243782 IINNHXNYVHCLPI-HXUWFJFHSA-N 396.466 3.972 0 40 GHAB O=C(NCc1ccc(OCc2ccccc2F)cc1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 664681078 XXPXNUNDCVBRQD-KPLVRAHFSA-N 398.478 3.707 0 40 GHAB CO[C@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1ccc(C)s1 96104862 DXWMRGKOVYLYRV-CYBMUJFWSA-N 386.395 3.518 0 40 GHAB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S 8092012 ATBYTFQHUJPXRO-ZSOIEALJSA-N 393.873 3.974 0 40 GHAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccnn2C2CCCC2)n1C 5858697 RCLQAUDNNOENSH-UHFFFAOYSA-N 396.520 3.833 0 40 GHAB O=C1/C(=C/c2ccccc2OCc2ccccn2)NC(=S)N1Cc1ccco1 12735329 ZRBLDLLQZVRMLS-PDGQHHTCSA-N 391.452 3.511 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(F)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714503 NGUNRNADSWDNQB-INIZCTEOSA-N 384.860 3.662 0 40 GHAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc21 15332776 PRVGVBZZQHWCHQ-OAHLLOKOSA-N 398.528 3.514 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCC(C)CC2)o1 15860512 UTROGADUOXTMBP-GOSISDBHSA-N 394.471 3.897 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(CN3CCOCC3)cc2)c1 18217530 CVGJUWCYJDYSKO-UHFFFAOYSA-N 396.531 3.646 0 40 GHAB Cn1nccc1CN1[C@H]2CC[C@@H]1c1cnc3cc(-c4cccc(F)c4)nn3c1C2 19289225 PUDZGMOPNMKSAQ-OXJNMPFZSA-N 388.450 3.531 0 40 GHAB CCCC(=O)N1CCC[C@](Cc2cccc(-c3ccncc3)c2)(C(=O)NCC)C1 19501233 YLFXQZUIVCFCQC-XMMPIXPASA-N 393.531 3.836 0 40 GHAB Cc1c(-c2cc(C(=O)NCC3(c4ccccc4F)CCCC3)on2)cnn1C 19554235 XKCQOXXWTMRORW-UHFFFAOYSA-N 382.439 3.764 0 40 GHAB Cc1nc([C@@H]2CCN(C(=O)C(C)C)C2)nc2c1CCCN2Cc1ccccc1 19707569 RHWCQGJHWQKFAK-LJQANCHMSA-N 378.520 3.710 0 40 GHAB Cc1cc(C)n(CCCN(C)S(=O)(=O)c2ccc(OC3CCCC3)cc2)n1 19717676 GWWFLNAKWLLRFP-UHFFFAOYSA-N 391.537 3.532 0 40 GHAB Cc1nc2ccccc2n1CCCC(=O)Nc1nc(-c2cnn(C)c2)cs1 19719278 HHEMNDDGTAHTMG-UHFFFAOYSA-N 380.477 3.621 0 40 GHAB Cc1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCCCC1 19763297 BFRARNMHVGOGKO-IBGZPJMESA-N 396.510 3.930 0 40 GHAB Cc1nc([C@H]2CCCCN2C(=O)C2CCCC2)ncc1C(=O)N1CCCCC1 19765653 HOGNUXHYJBPQSU-LJQANCHMSA-N 384.524 3.655 0 40 GHAB CCCC(=O)Nc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c(C(C)=O)c1 9155825 AWIDUCGONOLSPJ-HNNXBMFYSA-N 382.460 3.884 0 40 GHAB CC(C)[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc2c(c1)OCCO2 15817590 NQBMTCGRWOGDQG-PMACEKPBSA-N 387.863 3.928 0 40 GHAB CCCOc1ccccc1CN1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037983973 MPDACROKWAMNPW-DEOSSOPVSA-N 394.515 3.731 0 40 GHAB O=C(c1ccc(Br)o1)N1CCN=C1SCc1cccc(F)c1 4119912 FNQRLYYVOWZEGL-UHFFFAOYSA-N 383.242 3.926 0 40 GHAB aggregator CC[C@@H](C)NC(=O)Cc1csc(SCc2cc(OC)cc(OC)c2)n1 8853590 YMUKFKQVLVOKLH-GFCCVEGCSA-N 380.535 3.910 0 40 GHAB Cc1nc2sccn2c(=O)c1NC(=O)C1c2ccccc2Oc2ccccc21 8931666 QPDXEOBSDKLSQZ-UHFFFAOYSA-N 389.436 3.941 0 40 GHAB Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1cccnc1)n1nnnc1N2 10336908 ROXBQIJGDPDFAG-NHCUHLMSSA-N 398.401 3.767 0 40 GHAB O=C(Cc1cc(O)nc(SCc2cccc(Cl)c2)n1)Nc1nccs1 23138256 PHQASPVREXVAJX-UHFFFAOYSA-N 392.893 3.766 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618254906 GUAXBHFZNBTLKX-AWEZNQCLSA-N 398.850 3.977 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(Cc2cccs2)CC1 40097082 RIIHIXQOTCVWKF-UHFFFAOYSA-N 385.411 3.996 0 40 GHAB Cc1ccc(CNC(=O)c2nnc(CN[C@H](C)c3cccc(F)c3)s2)cc1 40061576 OFUZJRFUBQZZNJ-CQSZACIVSA-N 384.480 3.766 0 40 GHAB Cc1ccccc1OCCN(C)S(=O)(=O)c1ccc(Cl)c2ncccc12 40152942 NDERKYRUKJXDBN-UHFFFAOYSA-N 390.892 3.896 0 40 GHAB Cc1ccc(OCCNC(=O)CCc2nc(-c3ccc(F)cc3)no2)c(C)c1 8389883 RPXSZIKJZUKONS-UHFFFAOYSA-N 383.423 3.620 0 40 GHAB NC(=O)N[C@@H](CC(=O)Nc1nccs1)c1cccc(Oc2ccccc2)c1 8393213 AJKVJKASHIVSSM-INIZCTEOSA-N 382.445 3.674 0 40 GHAB CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O 1359644 XRRAYGCZNZDHEI-UHFFFAOYSA-N 392.455 3.812 0 40 GHAB Cc1nc2cccc3nc(CCCC(=O)Nc4ccc(Cl)cc4)nc(n1)-n-2-3 1872140 SMYVMQWSDPQHRN-UHFFFAOYSA-N 380.839 3.523 0 40 GHAB O=C(COc1ccc(Br)cc1)OCc1nnc(-c2ccccc2)o1 2618510 XYHGIDNNAFOFSL-UHFFFAOYSA-N 389.205 3.621 0 40 GHAB COc1ccccc1[C@@H](c1nnnn1CCc1ccccc1)N1CCCCCC1 4968371 XJGLRLPMNQYYBO-QFIPXVFZSA-N 391.519 3.890 0 40 GHAB CC1CCC(N(C)C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)CC1 7382467 RUBMLOBDPQAQBL-SLTAFYQDSA-N 387.549 3.620 0 40 GHAB CCc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccc2c(c1)OCCO2 102386623 DIDHWWKJDNKREU-UHFFFAOYSA-N 379.464 3.652 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)N[C@H](c1cccc(F)c1)c1nccn1C 32802427 QALCKPJLVVLTNT-OXQOHEQNSA-N 380.467 3.969 0 40 GHAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O 8328175 STDIHCGJORZPHI-SFHVURJKSA-N 384.304 3.739 0 40 GHAB COc1cc(S(=O)(=O)NCCSCc2cccc(Cl)c2)ccc1F 8479401 SOIQQVCGTFMAEE-UHFFFAOYSA-N 389.901 3.699 0 40 GHAB Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N(C)C 8749449 MAWHZDPNOQYLIE-UHFFFAOYSA-N 387.288 3.804 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(Cl)cc3)n2)cc1 41254477 GPWUSMPGVKPANF-UHFFFAOYSA-N 381.863 3.579 0 40 GHAB O=C(CS(=O)(=O)Cc1ccccc1C(F)(F)F)Nc1ccc(F)cc1F 32929677 WKJVMPDHMOLKSV-UHFFFAOYSA-N 393.333 3.537 0 40 GHAB CCn1c(=O)n(CCC(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc21 21872936 UIZJKFPDMRHXAB-UHFFFAOYSA-N 391.393 3.548 0 40 GHAB Cc1c(Cl)cccc1NC(=O)c1cc2nccc(-c3cnn(C)c3C)n2n1 2795539 KQCZRESJQWBYJP-UHFFFAOYSA-N 380.839 3.652 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1F 101026864 IMEVDSRFMICGCF-HKBOAZHASA-N 388.398 3.877 0 40 GHAB COc1ccccc1C(=O)COC(=O)c1cccc(C)c1NC(=O)c1ccco1 22286944 WNXPYWDAWSOPBA-UHFFFAOYSA-N 393.395 3.889 0 40 GHAB CCN(CC)C(=O)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1 9695010 BUNSMCGZOMTZBC-UHFFFAOYSA-N 380.897 3.764 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 683061 HYVFILDAORCWHI-QGZVFWFLSA-N 379.460 3.507 0 40 GHAB Cc1ccccc1N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1 25227046 VSTKDCGAQXBUQL-OAQYLSRUSA-N 376.500 3.710 0 40 GHAB NC(=O)CCOc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 47226325 KAXSBWHNVAIWJG-UHFFFAOYSA-N 388.467 3.978 0 40 GHAB COc1ccccc1NC(=O)c1cnc2scc(-c3ccc(C)cc3)n2c1=O 20768129 RPQCLUJOPIRILO-UHFFFAOYSA-N 391.452 3.992 0 40 GHAB CCCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3c(C)csc3n2)cc1 21632852 DZZTXCMZHBMNCX-UHFFFAOYSA-N 399.472 3.550 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cc1ccc(F)cc1 8423282 GUYGGZVGODMYNQ-UHFFFAOYSA-N 393.256 3.536 0 40 GHAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccco1 21580211 ZRTLXKFBZARWPL-UHFFFAOYSA-N 392.440 3.958 0 40 GHAB O=c1c(Cl)c(Cl)cnn1CN1CCC[C@H]1c1nc2ccccc2s1 25666036 RIFVRMZNQGXOEY-LBPRGKRZSA-N 381.288 3.954 0 40 GHAB NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2SCc2ccccc2)cc1 12552268 CVEYCXIQRZALAU-UHFFFAOYSA-N 398.509 3.879 0 40 GHAB COC(=O)[C@H](C)Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 2130787 KOKGDWOCSFANIR-LBPRGKRZSA-N 392.363 3.507 0 40 GHAB biogenic O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCc1ccc(Cl)cc1 3315362 XIEHKGXPGLWSBU-UHFFFAOYSA-N 394.254 3.816 0 40 GHAB COc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OCc1c(C)noc1C 3359488 JNZBSSJTOIJVLA-UHFFFAOYSA-N 396.399 3.860 0 40 GHAB O=C(CCCN1C(=O)c2ccccc2C1=O)NC(c1ccccc1)c1ccccc1 2219269 UWXSCQRMWUKDAW-UHFFFAOYSA-N 398.462 3.969 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(C)C)n1N 3373170 UJGQTBYKIGCYQZ-UHFFFAOYSA-N 397.504 3.522 0 40 GHAB Cc1ccc(OCc2nn(CC(=O)N[C@@H]3CCCC[C@@H]3C)c(=S)o2)cc1 409157478 MUJRLRCCPVUUFF-GOEBONIOSA-N 375.494 3.788 0 40 GHAB COc1ccc([C@@H](O)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)c(OC)c1 2361606 HVUKZBBMUHJLSL-CCLHPLFOSA-N 393.420 3.789 0 40 GHAB Cc1cc(C)cc(OCCCN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1 12773390 IBTUEYNACQNGHF-NRFANRHFSA-N 391.471 3.717 0 40 GHAB CC[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Cl)cc1 10919399 ACAQQPHVLOOPLQ-GOSISDBHSA-N 384.863 3.870 0 40 GHAB O=C1NCCCC[C@@H]1Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 10989118 MAQADJVDGCOWJQ-KRWDZBQOSA-N 399.903 3.800 0 40 GHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 12775920 ASOPTHDEGSQBGB-JTQLQIEISA-N 388.272 3.803 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccc(C(F)(F)F)cc1 12754605 LHAIRJYWPWGSEG-UHFFFAOYSA-N 376.378 3.691 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccc(C)cc2)c(OC)c1 12860531 UQRJPJSSVSPWHP-OAQYLSRUSA-N 382.504 3.808 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 408655926 SGLFNOQQKRVCGM-IEBWSBKVSA-N 379.456 3.779 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)c1cc(Br)ccc1F 12861135 NZRFGFHDIXZUBP-UHFFFAOYSA-N 388.240 3.763 0 40 GHAB COc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1Cl 12978270 FNCQBHBVEPXNGF-CQSZACIVSA-N 399.882 3.561 0 40 GHAB O=C1CC[C@@]2(C(=O)OCc3cnn(-c4ccccc4)c3)Sc3ccccc3N12 12979552 SRHCJVUJSWXZOM-NRFANRHFSA-N 391.452 3.545 0 40 GHAB O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(-c2cccs2)nc2ccccc12 64334151 MXTKBMLINIJMLF-HOTGVXAUSA-N 393.512 3.556 0 40 GHAB CC1(C)Cc2cccc(Oc3ccc(S(=O)(=O)N4CCCCC4)cn3)c2O1 6025184 DUBFQXZKQMVVQF-UHFFFAOYSA-N 388.489 3.762 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccccc2F)cc1 5078710 PKPJHZUWYGBISC-FMIVXFBMSA-N 385.391 3.586 0 40 GHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)C1 6237687 QGKCXFDPAFCKRK-HUUCEWRRSA-N 390.480 3.745 0 40 GHAB COC(=O)c1cc(NC(=O)CS[C@H](C)c2ccccc2)cc(C(=O)OC)c1 13955081 KMRCUFGJOWGWDY-CYBMUJFWSA-N 387.457 3.693 0 40 GHAB C[C@]1(C(=O)C2=NNC[C@@H]2c2ccc(Br)cc2)O[C@H]1c1ccccc1 5478231 JYTSIWCJAPORSQ-AYOQOUSVSA-N 385.261 3.591 0 40 GHAB COc1ccc(Br)cc1CNCCNC(=O)c1ccc(Cl)cc1 4681969 JGFCXFRNDJNQHF-UHFFFAOYSA-N 397.700 3.631 0 40 GHAB O=C(CSc1nnc(-c2n[nH]c3ccccc23)o1)Nc1ccc(F)c(F)c1 4864571 UCETYWDOZASFPN-UHFFFAOYSA-N 387.371 3.622 0 40 GHAB CCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)cc1 67298476 OMGBXSKIOXZIQM-APPAOHSRSA-N 392.455 3.842 0 40 GHAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)NC(=O)NC1CCCCC1 9054121 FYWADXHNJBJJNW-UHFFFAOYSA-N 381.879 3.602 0 40 GHAB COC(=O)CCSCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 7676306 UOHRKSYVDMGSDG-UHFFFAOYSA-N 391.876 3.806 0 40 GHAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 16016995 HOBSOEXNALEESX-GFCCVEGCSA-N 383.473 3.966 0 40 GHAB CC(C)n1ccc2c(NC(=O)Cn3nc4c(cc3=O)CCCCC4)cccc21 71286667 LGVKCSOVNCHVGD-UHFFFAOYSA-N 378.476 3.687 0 40 GHAB CC(C)c1ccc(S(=O)(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1 9116002 CSHJWKZEKIBFHM-LJQANCHMSA-N 387.480 3.751 0 40 GHAB O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccc2c(c1)OCCO2 21334829 KYYUTOOUBOSQKV-UHFFFAOYSA-N 378.428 3.692 0 40 GHAB O=C(/C=C(\Nc1ccccc1)C(=O)NCc1ccccc1)NCc1ccccc1 21945208 SEESFLUEMKQKEK-JWGURIENSA-N 385.467 3.615 0 40 GHAB O=C1Nc2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3F)c3cccc1c23 19943927 NQTOSVKPHRUNLC-UHFFFAOYSA-N 378.331 3.624 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(Cc2ccccc2)ccc1O 83859362 HTXRHFKAQSRSKK-IBGZPJMESA-N 389.451 3.895 0 40 GHAB CCOc1nnc(CN2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)s1 78970193 MJXPLDGVXXQQMZ-UHFFFAOYSA-N 396.557 3.692 0 40 GHAB O=C1c2ccccc2CCC[C@@H]1n1nnc(-c2ccc(Br)cc2)n1 84581894 HGXOFEKBLLAVDW-INIZCTEOSA-N 383.249 3.863 0 40 GHAB O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1ccc2c(c1)OCCO2 408617546 AQPRSCJTENPOJA-UHFFFAOYSA-N 390.464 3.836 0 40 GHAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C1CCCC1 95998800 RXZTZLXKWYZGRM-MRXNPFEDSA-N 381.480 3.950 0 40 GHAB Cc1ccc(OCc2nc(CC(=O)NCCCn3nc(C)cc3C)cs2)cc1 23246709 HRKYZQUGYDTRGS-UHFFFAOYSA-N 398.532 3.593 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 64476527 OAXBPBKLMIGYOE-UHFFFAOYSA-N 390.530 3.882 0 40 GHAB Cc1csc2nc(COc3cccc(NC(=O)c4ccccc4)c3)cc(=O)n12 21369036 NOPHDRGPLOULKZ-UHFFFAOYSA-N 391.452 3.896 0 40 GHAB Cc1cc(C(=O)N2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c(C)o1 306133533 MOIMJRRLEQJKMN-SFHVURJKSA-N 387.443 3.631 0 40 GHAB O=C(CN1CCN(c2ccc(F)cc2)CC1)c1ccc(Br)cc1 67192361 LFWLTHULYJJBMO-UHFFFAOYSA-N 377.257 3.593 0 40 GHAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 39768319 HTJCANYMIDHAJQ-UHFFFAOYSA-N 386.879 3.977 0 40 GHAB CC1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccccc3)c2)CC1 219993060 VTDPIYNMDPSMBE-QGZVFWFLSA-N 386.517 3.598 0 40 GHAB CC(C)c1nccn1-c1cncc([C@H]2CCCN2C(=O)Cc2ccccc2)n1 72378441 JOMFVRIFAWQXSB-LJQANCHMSA-N 375.476 3.692 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(Cl)c1 224133318 UKIAHIDUHQYNKX-LJQANCHMSA-N 388.895 3.662 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1NC(C)=O 223329922 QDJJCTVHOHTUJJ-UHFFFAOYSA-N 382.532 3.890 0 40 GHAB COc1ccc(NC(=S)NCc2ccc(OC)c(OC)c2OC)cc1Cl 225525921 PEHGLTLVHLIWEC-UHFFFAOYSA-N 396.896 3.861 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1 223723624 XZJMXUFKKZHJRQ-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB O=C(O)c1conc1[C@@H](O[C@@H]1CCCCO1)c1ccc(Br)cc1 504256863 OTYKYJQADOFJHL-HIFRSBDPSA-N 382.210 3.768 0 40 GHAB CC[C@H](C(=O)NCC1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 224302917 IFZBVHZYDNVFOR-QGZVFWFLSA-N 386.945 3.581 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)ccc1Cl 225677967 CSSHREONPPIVQT-CYBMUJFWSA-N 381.881 3.783 0 40 GHAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1C 224245387 RPKNVHJMJLUZFH-SFHVURJKSA-N 394.924 3.536 0 40 GHAB CCOc1ccc(C(=O)N2CCOCC2)cc1COc1ccccc1Cl 224481458 RVLQPWCSVXMPBZ-UHFFFAOYSA-N 375.852 3.790 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224618051 XJDMRQRFYSDSOM-FQEVSTJZSA-N 386.923 3.869 0 40 GHAB Cc1cnccc1OC1CCN(C[C@H](O)COc2ccccc2C(C)C)CC1 571451044 IXFVJXFSFXGWCQ-IBGZPJMESA-N 384.520 3.797 0 40 GHAB C[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)OCCO2 222717308 VODPWTMLRGZOHO-INIZCTEOSA-N 398.478 3.686 0 40 GHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 44846529 HZDFDHMJYLLLKW-MRXNPFEDSA-N 387.432 3.595 0 40 GHAB CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 225139023 AZWPSOHUCUQLOF-UHFFFAOYSA-N 394.301 3.813 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)cc1 223013517 XTUPEULNUGMFJI-IBGZPJMESA-N 388.895 3.581 0 40 GHAB Cc1ccc(CN2CCC(CN(C)C(=O)c3nc4cccc(C)n4c3F)CC2)o1 95524969 YAKFQHAOXZZKRF-UHFFFAOYSA-N 398.482 3.667 0 40 GHAB COc1cccc(C(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C)nn43)CC2)c1 257308828 TYGUWDUYIKTLIS-QAQDUYKDSA-N 378.476 3.750 0 40 GHAB Cc1cc(-c2cccc(C(=O)O)c2)nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257227623 FQENENDJTUHSLI-KRWDZBQOSA-N 381.476 3.902 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCC(c2c[nH]nc2C)CC1 585081333 GLWYWFYZFBWSQJ-CQSZACIVSA-N 390.915 3.895 0 40 GHAB CC(=O)N1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1cccc(C(F)(F)F)c1 257312635 UOWXOWFDQSWPPG-IEBWSBKVSA-N 382.426 3.988 0 40 GHAB CC[C@H](O)Cn1nc(-c2cc(C(=O)O)ccc2OC)cc1-c1ccccc1OC 257285966 PJOTXAGVEOAOAL-HNNXBMFYSA-N 396.443 3.703 0 40 GHAB Cc1cc(CNc2nccc(N3Cc4ccccc4C3)n2)cc(N2CCCC2)n1 624232261 YATCXNVMZPLRMH-UHFFFAOYSA-N 386.503 3.913 0 40 GHAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1 1644374377 UWCUOUGEPKEZQF-NRFANRHFSA-N 384.863 3.588 0 40 GHAB CC(C)n1cc(NC(=O)N2CC(Cc3ccccc3Br)C2)cn1 626416049 HXAUMPSHVAVAJH-UHFFFAOYSA-N 377.286 3.933 0 40 GHAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CSC(C)(C)C)cc1OC 575414268 XLBAZNKQJGOZFR-AWEZNQCLSA-N 387.567 3.779 0 40 GHAB CC(C)CCn1ccc(=NC(=O)N2CCC(c3ccc4cccnc4n3)CC2)[nH]1 585090787 ITFOOXBLTIMRCC-UHFFFAOYSA-N 392.507 3.706 0 40 GHAB CN(CCO)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)nc1 58145272 PHHGVAULOFMQRB-NRFANRHFSA-N 393.512 3.982 0 40 GHAB C[C@@H](NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccccc1 5317019 GZVLSFFVZRIRPT-LLVKDONJSA-N 376.243 3.581 0 40 GHAB O=C(C1CCC1)N1CCC[C@H](c2nc(N3CCCC3)ncc2-c2ccncc2)C1 12089349 XLDTXSHTDQKMTJ-IBGZPJMESA-N 391.519 3.645 0 40 GHAB CCn1ncc(C(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c1C 12117280 NVYAJKOWAGPJHQ-UHFFFAOYSA-N 375.476 3.559 0 40 GHAB C[C@]1(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)CC(c2ccccc2)=NO1 12192963 AHJLOWBSKNSKIF-OAQYLSRUSA-N 378.407 3.592 0 40 GHAB COc1ccc(CCNC(=O)COc2cc(Cl)cc(Cl)c2)cc1OC 12765033 WKEXEQYQCZWVGK-UHFFFAOYSA-N 384.259 3.748 0 40 GHAB Cc1ccc(C)c(NC(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)c1 13606719 FQPGEJZQIVKMTF-UHFFFAOYSA-N 377.448 3.708 0 40 GHAB Cc1ccc2occ(CN3C[C@@H]4CCCN4C[C@H]3Cc3ccccc3)c(=O)c2c1 19219851 NUHYRBUQVIZZJC-FCHUYYIVSA-N 388.511 3.993 0 40 GHAB Cc1ccc2oc(C(=O)N3CC[C@H](c4nnc(-c5cnc(C)cn5)o4)C3)cc2c1 19221274 HACRRRPCNWEMBT-AWEZNQCLSA-N 389.415 3.519 0 40 GHAB Cc1cccc2c(C[C@H](C)NC(=O)C[C@H](C)n3nnc4ccccc43)c[nH]c12 19236597 OWQQIRJGNIWIJZ-HOTGVXAUSA-N 375.476 3.920 0 40 GHAB Cc1nn([C@H](C)CNC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C)c1C 19556236 ANULOFREQGYHCF-CQSZACIVSA-N 389.927 3.887 0 40 GHAB Cc1nonc1-c1csc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)n1 19664219 LJJMFOUIMOTUJA-JTQLQIEISA-N 387.465 3.893 0 40 GHAB CCOc1ccc([C@H]2CCCN2C(=O)c2cc(C(C)C)c3nncn3n2)cc1 19714603 FWKHIBZAFBNSEO-LJQANCHMSA-N 379.464 3.624 0 40 GHAB C[C@@H]1CCCN(c2ncc(CN(Cc3ccccc3)C3CCN(C)CC3)cn2)C1 19715680 QDZYTGBTPMEHHW-HXUWFJFHSA-N 393.579 3.809 0 40 GHAB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(OC)cc1 6348259 PGLGPSLEBIZPMJ-NDENLUEZSA-N 391.423 3.775 0 40 GHAB C[C@H](S[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H](C(N)=O)C1 594909214 CBWQXKCBRIKXRG-DYEKYZERSA-N 388.455 3.612 0 40 GHAB CCOc1cc(C(=O)N(C)Cc2cnn(C)c2)cc(-c2ccccc2)c1OC 24482456 SVLKSJVLJBBYCX-UHFFFAOYSA-N 379.460 3.767 0 40 GHAB Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccc(F)cc2)C[S@@](=O)C3)c1C 2724852 LUYJIZYIPQYEDY-NDEPHWFRSA-N 397.475 3.572 0 40 GHAB CCOC(=O)[C@H](CC)Sc1ccc2nnc(-c3ccc(Cl)cc3)n2n1 4164329 FFZNPCLREKLQHG-ZDUSSCGKSA-N 376.869 3.879 0 40 GHAB CCOC(=O)[C@@H](CC)Sc1ccc2nnc(-c3ccc(OCC)cc3)n2n1 4165115 IQJZXFOXGWSHLJ-OAHLLOKOSA-N 386.477 3.624 0 40 GHAB COc1cccc(NC(=O)CSc2nccn(-c3cc(C)cc(C)c3)c2=O)c1 4484289 JJXIIUQSTVPVMH-UHFFFAOYSA-N 395.484 3.589 0 40 GHAB O=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccc(Br)cc1 4751511 HAGSDYODNOIKKA-UHFFFAOYSA-N 381.226 3.603 0 40 GHAB COc1ccccc1-n1ccnc(SCC(=O)Nc2cc(C)ccc2C)c1=O 4853175 WGEANDOKEWCMMN-UHFFFAOYSA-N 395.484 3.589 0 40 GHAB COc1ccc(-c2nnc(SCc3nc(-c4ccccc4)oc3C)n2N)cc1 12473288 WLHSCRVEIXBASG-UHFFFAOYSA-N 393.472 3.923 0 40 GHAB CS(=O)(=O)NCC1CCC(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 36709669 SUJAOPUPPIZKNG-UHFFFAOYSA-N 398.528 3.552 0 40 GHAB O=C(NCc1cccnc1-c1ccco1)[C@H]1CCCN1c1nc2ccccc2o1 225662085 LNLVLFKGFQDIBN-QGZVFWFLSA-N 388.427 3.768 0 40 GHAB O=S(=O)(NCc1cncc(-c2ccco2)c1)c1ccccc1Br 575618040 HBFDTPLWCVPJOS-UHFFFAOYSA-N 393.262 3.583 0 40 GHAB CN(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1)c1cc2ccccc2o1 575622540 ZSSPDOMJOYCREY-AWEZNQCLSA-N 377.366 3.879 0 40 GHAB Cc1c(C(=O)NCc2nccnc2-c2ccsc2)cnn1-c1ccccc1 575618294 GORXPTXJQQKBLS-UHFFFAOYSA-N 375.457 3.629 0 40 GHAB O=C([C@H]1CCCN(c2cnc3cc(Cl)ccc3n2)C1)N1CCC(F)(F)CC1 2298215318 WKGQMFJCBHYEQO-ZDUSSCGKSA-N 394.853 3.757 0 40 GHAB COc1cc(CNC(=O)c2ccc(C)c(-n3cccc3)c2)cc(OC)c1OC 10433435 SQCAVPCRIMCJTB-UHFFFAOYSA-N 380.444 3.742 0 40 GHAB CCN(CC)CCN(CC(C)C)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 40089849 NQGHUPYURRHFQO-OAHLLOKOSA-N 377.554 3.559 0 40 GHAB Cc1ccn(-c2ccc(C(=O)N3CCCN(C)c4nc5ccccc5nc43)cc2)n1 40131505 ACMBUYHCUYIOFW-UHFFFAOYSA-N 398.470 3.611 0 40 GHAB CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 40159465 YFXGNDTTYJPLGF-HNNXBMFYSA-N 397.313 3.807 0 40 GHAB O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1C[C@@H](O)c1cccc(F)c1 51319706 QEFXAJMIZZEWKM-HXUWFJFHSA-N 387.414 3.845 0 40 GHAB CCCCN(CCCC)c1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 2131698 UNDMLKHXKMKXEU-UHFFFAOYSA-N 385.508 3.890 0 40 GHAB biogenic CC(C)CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O 2147493 XENJKSRIIWALAV-NZQKXSOJSA-N 387.483 3.509 0 40 GHAB biogenic COc1cc(C(=O)OCC(=O)C(C)(C)C)ccc1OCc1c(C)noc1C 3520548 CZUIEUBQECJIPE-UHFFFAOYSA-N 375.421 3.651 0 40 GHAB O=C(OCc1cscn1)C1CCN(C(=O)c2cccc3ccccc23)CC1 16699168 UAWKFKIXDUNCQF-UHFFFAOYSA-N 380.469 3.892 0 40 GHAB COCCNc1c(-c2cc3cc(C)ccc3[nH]c2=O)nc2ccc(Cl)cn12 4847646 CDXISECJIPBBNO-UHFFFAOYSA-N 382.851 3.863 0 40 GHAB CCOC(=O)c1c(NC(=S)NC(=O)Cc2cccs2)sc(C)c1C 4891180 NCLILQRYEMMHMH-UHFFFAOYSA-N 382.532 3.659 0 40 GHAB Cc1ccc(O)c(C(=O)CCCCCCCCCCC(=O)NCC(=O)O)c1 6189503 SPGAVCFGZSDQKL-UHFFFAOYSA-N 377.481 3.985 0 40 GHAB C[C@H](C(=O)Nc1cccc(F)c1)[S@](=O)Cc1cccc(Br)c1 32800977 ATJCNPLRRUKRHA-XFNZEKPQSA-N 384.270 3.864 0 40 GHAB CC(C)COC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 6326965 ZHPJWESWDHKUJX-YJBOKZPZSA-N 396.443 3.752 0 40 GHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 6386274 OSLODKYMTGDBEK-UHFFFAOYSA-N 385.489 3.544 0 40 GHAB CCCCn1nc(C(=O)NCCc2ccc(Cl)cc2)c2ccccc2c1=O 2658176 YXFKSYYCAKPHBY-UHFFFAOYSA-N 383.879 3.823 0 40 GHAB CS(=O)(=O)Nc1cc(NC(=O)c2ccc3c4c(cccc24)CC3)ccc1F 32908052 ITYRPSWGVYNLSM-UHFFFAOYSA-N 384.432 3.701 0 40 GHAB CC(C)n1nc(C(=O)Nc2cc(Cl)ccc2C(=O)O)c2ccccc2c1=O 8191204 WKKPWHCEIXCUPO-UHFFFAOYSA-N 385.807 3.581 0 40 GHAB CCc1nnc2sc(-c3cccc(NC(=O)COc4ccc(C)cc4)c3)nn12 8071449 AVHULNSLVLPQEF-UHFFFAOYSA-N 393.472 3.741 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCc2ccccc2C1 8090062 OMPQXEJYXQRWAU-UHFFFAOYSA-N 392.528 3.566 0 40 GHAB CCc1ccc(N2C(=O)[C@@H]3C[C@@H]4c5ccccc5N[C@@H]4[C@H](C)N3C2=S)cc1 8783156 FDFLEPBXEZVLTQ-YXHXOZEPSA-N 377.513 3.921 0 40 GHAB Cc1cc(C)c(-c2no/c(=N/S(=O)(=O)c3ccc(Cl)cc3)o2)c(C)c1 104306690 QKGVTQZYBJUROA-LVZFUZTISA-N 378.837 3.803 0 40 GHAB COc1ccc(CN2CCN(Cc3csc(C)n3)CC2)cc1Br 22813845 RLZOFSAXSKEROV-UHFFFAOYSA-N 396.354 3.540 0 40 GHAB COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(N)=O)sc3n2)cc1OC 804021 BCHOEJOVQLOUIS-UHFFFAOYSA-N 397.378 3.680 0 40 GHAB O=C(CCN1CCN(CC(F)(F)F)CC1)Nc1cc(Cl)ccc1Cl 22913055 RHIIFXJTFLNPEP-UHFFFAOYSA-N 384.229 3.502 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)N[C@H]1CCN(Cc2ccccc2)C1 23076464 OBSSPRNZAOEAEF-FQEVSTJZSA-N 375.472 3.665 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4cccc(F)c4F)CC3)no2)cc1 23237088 HMFCMFYUKYTRDJ-UHFFFAOYSA-N 397.425 3.886 0 40 GHAB COc1ccc(CN(C)C(=O)c2cnn(-c3ccc(C)cc3)c2C)c(OC)c1 24832142 NEVZAXLUVOVGMA-UHFFFAOYSA-N 379.460 3.779 0 40 GHAB C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)C1 100116019 ACHZRINMTVBHMB-XDNQRGQGSA-N 381.520 3.623 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2cccc(Br)c2)c(-c2ccccc2)n1 57526490 WLXMPDMNYBWYCX-UHFFFAOYSA-N 398.260 3.620 0 40 GHAB CCOC(=O)CSc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 57824986 HWXUATOXNFHXPK-UHFFFAOYSA-N 386.502 3.682 0 40 GHAB O=C(NCc1ccc(N2CCc3ccccc3C2)nc1)c1cc(-c2ccco2)[nH]n1 58087109 GVRBPTAYOVLYTQ-UHFFFAOYSA-N 399.454 3.557 0 40 GHAB COc1ccc(CCNC(=O)c2cc3c(cn2)[nH]c2ccccc23)cc1OC 2120079 IKKNVONEWAUOKR-UHFFFAOYSA-N 375.428 3.706 0 40 GHAB biogenic COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc(OC)c1OC 27990313 IRVMZUSJNOSKFO-LJQANCHMSA-N 398.503 3.588 0 40 GHAB COc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1OCc1ccncc1 12540035 CSLVNOOULFXIAY-UHFFFAOYSA-N 382.445 3.650 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)Nc2ccc3nc(C)sc3c2)cc1 12515533 KIPUSQKZRBZLPJ-AWEZNQCLSA-N 396.516 3.811 0 40 GHAB COc1ccc(CN2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 28404953 ANFOPIAKJGZCIL-CYBMUJFWSA-N 393.270 3.989 0 40 GHAB O=C1c2cccc3cccc(c23)C(=O)N1N1C(=O)c2cccc3cccc(c23)C1=O 2451846 JMSQXPORRNBWBP-UHFFFAOYSA-N 392.370 3.800 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2ccccn2)c1 11337331 GDTIPBBTBIFJDK-UHFFFAOYSA-N 396.468 3.654 0 40 GHAB O=C(COc1ccc(Br)cc1CO)N[C@@H]1CCCc2ccccc21 3324720 SNBTWERYQXCHKD-QGZVFWFLSA-N 390.277 3.514 0 40 GHAB Cc1ccc(Nc2nnc(SCC(=O)N3C[C@H](C)O[C@H](C)C3)s2)cc1C 3307632 BGRJBFMWWDISMJ-OKILXGFUSA-N 392.550 3.626 0 40 GHAB CCc1nc(SCC(=O)N[C@@H](C)CC)nc(N)c1-c1ccc(Cl)cc1 12731692 PXSMDIQABUAHHF-NSHDSACASA-N 378.929 3.948 0 40 GHAB Cc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)Nc1ccc(F)cc1 12774115 CHXBRRGYOSADCE-UHFFFAOYSA-N 390.480 3.807 0 40 GHAB Cc1cc(=O)c(C(=O)Nc2nc3c(s2)CCCCC3)nn1-c1ccccc1 12829210 UQTSYSNYHZFAHJ-UHFFFAOYSA-N 380.473 3.519 0 40 GHAB COc1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2O)c2ccccc2)c1 3512447 BRALAMDKXQQQNE-FQEVSTJZSA-N 377.396 3.938 0 40 GHAB O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)c1ccc(Cl)o1 13019767 OTYZBGIIAZPCKH-UHFFFAOYSA-N 394.880 3.598 0 40 GHAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 17959982 GAPWOLOJPQIXQS-INIZCTEOSA-N 394.496 3.800 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1 17167076 PZVUZDZSERECKH-CALCHBBNSA-N 375.472 3.563 0 40 GHAB Cc1cc(C)c(NC(=O)[C@H](C)n2nnc3sc4c(c3c2=O)CCCC4)c(C)c1 5183368 PWYOEYNIOIHSCF-AWEZNQCLSA-N 396.516 3.857 0 40 GHAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1Cl 6285576 NIOZSOUEZCMPGQ-AWEZNQCLSA-N 389.883 3.624 0 40 GHAB O=C1NC2(CCCCCC2)C(=O)N1CN(Cc1ccccc1)CC(F)(F)F 14198123 KZENIDWTWHGDMB-UHFFFAOYSA-N 383.414 3.653 0 40 GHAB COc1cccc2cc(-c3cc(=O)oc4ccc(OS(C)(=O)=O)cc34)oc12 4586189 AJVOMODNECTCKF-UHFFFAOYSA-N 386.381 3.553 0 40 GHAB biogenic C/C=C/c1ccc(OCC(=O)Nc2cc(NC(C)=O)ccc2OC)c(OC)c1 14318179 ZCTFYEFMCGVQGH-AATRIKPKSA-N 384.432 3.713 0 40 GHAB O=C1C[C@H](N2CCc3[nH]c4ccccc4c3C2)C(=O)N1c1cccc(Cl)c1 8765399 KZFWOIOFQPGJRP-IBGZPJMESA-N 379.847 3.512 0 40 GHAB biogenic COCCCn1c(C)cc(C(=O)COC(=O)c2cc(Cl)ccc2O)c1C 5746708 CRNHSEWYSNCYLC-UHFFFAOYSA-N 379.840 3.540 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCOc2ccc(Cl)cc2Cl)c2ccccc21 4987820 ZEVVYAAYRPFJAM-LJQANCHMSA-N 394.254 3.586 0 40 GHAB CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)COC(C)=O 6947178 AZPBLDBIVDGLJX-UHFFFAOYSA-N 381.837 3.747 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 20459697 YDBATSQEPBFZKL-UHFFFAOYSA-N 389.260 3.626 0 40 GHAB O=C(c1cnc2ccc(Cl)cc2c1NCc1ccccc1)N1CCOCC1 67288315 QZQFUNNOFVSWNL-UHFFFAOYSA-N 381.863 3.973 0 40 GHAB COc1ccc(CCCN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC 15358114 SQVZLCGPHWAIIW-UHFFFAOYSA-N 391.533 3.882 0 40 GHAB CC(C)CCn1c(=O)c2ccccc2n2c(SCc3ccccn3)nnc12 9112642 RBJOBNMEMCTKPD-UHFFFAOYSA-N 379.489 3.778 0 40 GHAB COC(=O)CCSc1nnc(-c2ccc(OC)cc2)n1CCc1ccccc1 7195516 AHNUEFICPDQGFV-UHFFFAOYSA-N 397.500 3.852 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)Cc3csc(-c4ccccn4)n3)ccc12 15726344 LHWIHXJPLSHDBO-UHFFFAOYSA-N 377.425 3.801 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(NC4CC4)s3)c2C)no1 7577664 MMTFFZZDIYLJNG-UHFFFAOYSA-N 389.506 3.791 0 40 GHAB COc1ccc(Br)c(C(=O)Nc2ccccc2C(=O)NC2CC2)c1 8938329 MHKNGBUXTLDYJG-UHFFFAOYSA-N 389.249 3.602 0 40 GHAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c(C)o1 16000653 YGMJHCFPIXVIBI-UHFFFAOYSA-N 398.484 3.969 0 40 GHAB COc1ccc(N2C[C@@H](c3nc(-c4ccccc4C)no3)CC2=O)cc1OC 9318190 CDTYAVKAYHIJKK-AWEZNQCLSA-N 379.416 3.583 0 40 GHAB Cc1cccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c1 72296945 IAENHNRBQMXPRW-QHCPKHFHSA-N 386.495 3.928 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)CN2CC(C)(C)c3c(Cl)cccc32)cc1 78716849 CFIORRZBBIRJTM-UHFFFAOYSA-N 385.895 3.778 0 40 GHAB CCCc1nc([C@@H](NC(=O)COc2ccc(F)cc2F)c2ccccc2)no1 78823536 SAJNLNDYCIMMAG-IBGZPJMESA-N 387.386 3.585 0 40 GHAB CC(C)Cc1ccc(-c2ccc(=O)n(CC(=O)c3ccc4c(c3)OCO4)n2)cc1 67206860 DAEXBPSGJWAVSB-UHFFFAOYSA-N 390.439 3.720 0 40 GHAB C[C@@H]1CCC[C@@]1(O)CNc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 549262792 PKRRFLFXUIEUCV-LRTDBIEQSA-N 395.532 3.990 0 40 GHAB O=c1cc(CN2CCN(c3ccccc3)CC2)occ1OCc1ccccc1F 56949976 USNSINWKJCMGBQ-UHFFFAOYSA-N 394.446 3.680 0 40 GHAB CC[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(OC)c(OC)c1 219232679 BGIOZWQQLPGAEL-LJQANCHMSA-N 396.487 3.707 0 40 GHAB CC(C)n1c(SCC(=O)N2CCc3ccccc3C2)nc2ccsc2c1=O 36366532 VIPBQEPUZXTQSC-UHFFFAOYSA-N 399.541 3.716 0 40 GHAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3ccoc3)cc2)n1 14958599 WGLNSRQEOWVDEE-HXUWFJFHSA-N 392.459 3.716 0 40 GHAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3-c2ccccn2)cc1O 79477302 GZENRKVZFRXSCY-SFHVURJKSA-N 382.445 3.714 0 40 GHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 219319028 NOUFUKCJVHVWEH-SFHVURJKSA-N 381.432 3.527 0 40 GHAB COc1ccccc1[C@@H](NC(=O)NCCc1cccc(Cl)c1)c1nccn1C 40071240 ZFLOAPJXFHWBST-LJQANCHMSA-N 398.894 3.713 0 40 GHAB CCOc1ccc(-c2ccc(=O)n(CCC(=O)N[C@@H](C)c3ccccc3)n2)cc1 41254375 CSTUNBYMECQQDE-KRWDZBQOSA-N 391.471 3.577 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 224701985 ZZAPYBQERIDSIN-LJQANCHMSA-N 382.504 3.626 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 223043956 XOZBLYCOCGJDQD-OAQYLSRUSA-N 382.504 3.544 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@@H](CNCCc2ccccc2Br)C1 89223564 KFQBWPXFMWKRPF-AWEZNQCLSA-N 383.330 3.838 0 40 GHAB FC(F)(F)c1cc(N2CCCCC2)nc(NC(=S)NCc2ccco2)n1 225913463 WRNYOYNIUOHZIB-UHFFFAOYSA-N 385.415 3.565 0 40 GHAB CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccncc1)c1ccccc1 223340545 QWJLXIGOBYCOSC-HSZRJFAPSA-N 387.483 3.878 0 40 GHAB COc1cccc(Cc2cncc(C(=O)N3CCC[C@@H]4N(C)CCC[C@@]43C)c2)c1 257290447 QCZJVPBIESXPOA-UPVQGACJSA-N 393.531 3.770 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)c1 90748672 LCYATGXJJMQKDA-UHFFFAOYSA-N 389.498 3.977 0 40 GHAB CCCC(CCC)N1CCN(C(C)=O)C[C@](O)(COc2ccc(C)c(C)c2)C1 585281841 CCOXICDMWQNKDF-HSZRJFAPSA-N 390.568 3.546 0 40 GHAB CC(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CCCC1)C2 585107421 VOBHNJWSLKBALF-HSZRJFAPSA-N 378.520 3.966 0 40 GHAB Cc1ccc(OC[C@@H](O)CNCc2cc3c(C)ccc(C)c3nc2O)cc1C 585285170 OTKKCNKYIFOCNJ-IBGZPJMESA-N 380.488 3.704 0 40 GHAB Cc1cc(NC(=O)CCCOc2cccc3ccccc23)ccc1-n1cnnn1 59010752 BZFMJFLKFPFCDW-UHFFFAOYSA-N 387.443 3.922 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)cc1 5269164 YIYSQYIUCHOLPI-UHFFFAOYSA-N 390.439 3.634 0 40 GHAB CCCOc1ccc(Cl)cc1[C@H]1C(C(=O)OC)=C(C)N=C2SCC(=O)N21 5864909 DDDFSGGLZULVOJ-INIZCTEOSA-N 394.880 3.562 0 40 GHAB Cc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1S(=O)(=O)N(C)C 12680600 LNMGHNKGOZAFTD-UHFFFAOYSA-N 382.485 3.580 0 40 GHAB COc1ccc(C(=O)Nn2c(C)nnc2SCc2ccccc2)cc1Cl 16363392 WUXBLBWVBJLJFK-UHFFFAOYSA-N 388.880 3.925 0 40 GHAB COc1cc2c(cc1OC)[C@H](CNC(=O)CCn1nccc1C)C1=C2CCCC1 19238501 MZPQSSYCLYILDS-HXUWFJFHSA-N 395.503 3.840 0 40 GHAB Cc1c(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cnn1C 19694088 GVDLGBSHQQCDHO-IBGZPJMESA-N 390.535 3.631 0 40 GHAB CC(C)CO[C@H]1[C@@H]([C@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@H]12 4027969 DSAJOXMMUNNHIK-OUUBHVDSSA-N 396.524 3.904 0 40 GHAB biogenic CCN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)c1ccc(F)cc1)c1ccccc1O2 12086552 WRCSQDCMBUZNDZ-AUSIDOKSSA-N 396.462 3.851 0 40 GHAB Cc1ccc(C)c2c1cc(C(=O)Nc1ccc(N3CCCS3(=O)=O)cc1)n2C 19663372 BWJKUQMXQHJIKH-UHFFFAOYSA-N 397.500 3.587 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccc(OC(F)(F)F)cc1 12755253 LORIBYKTKSSCDO-UHFFFAOYSA-N 392.377 3.571 0 40 GHAB O=C(COC(=O)C1(c2ccccc2)CCC1)NCCc1nc2ccccc2s1 16377004 DSSIWYIMLPXXNV-UHFFFAOYSA-N 394.496 3.620 0 40 GHAB COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)no2)cc1 7572344 HVONUWGQUZPCGD-UHFFFAOYSA-N 397.862 3.966 0 40 GHAB FC(F)(F)c1cccnc1N1CC[C@H](Oc2ccncc2Br)C1 1776009097 VBZCFNNXZDCGJR-JTQLQIEISA-N 388.187 3.916 0 40 GHAB COC(=O)C1=CC[C@@]23CC[C@@H]([C@]2(C)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O 2061000746 KVTRQYUBYLFKCS-XICIGQMBSA-N 388.460 3.575 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)c1ccc(Cl)cc1 5055858 QNBVISGUDIEJQX-UHFFFAOYSA-N 381.848 3.815 0 40 GHAB O=S(=O)(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccccc1 5144825 TXCYBIHURZDPID-UHFFFAOYSA-N 394.500 3.935 0 40 GHAB CC(C)c1noc(CN2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)n1 1775975558 JYSJPKQWSMSCNV-UHFFFAOYSA-N 398.898 3.626 0 40 GHAB CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1 23127457 ZAUGBJLLPGLUJE-UHFFFAOYSA-N 393.531 3.777 0 40 GHAB CC(C)c1ccc(OCC(=O)N2CCC[C@H](Oc3ncc(Cl)cn3)C2)cc1 575613716 SJIJVGMBTYFNKD-SFHVURJKSA-N 389.883 3.702 0 40 GHAB Cc1ccccc1NC(=O)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575612244 KBYLOSPVOMXGBH-CQSZACIVSA-N 391.269 3.623 0 40 GHAB Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC[C@@H](C)C3)c(O)n2n1 102878992 PWIDUHAKVSKNCP-MEBBXXQBSA-N 378.448 3.904 0 40 GHAB CCNC(=O)COc1ccc(NC(=O)N(Cc2ccc(C)cc2)C2CC2)cc1 40104823 ZJBHLVMAPJFHGL-UHFFFAOYSA-N 381.476 3.706 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccccc3)c2)cc1 787700 BOIHBSQAEMZEAQ-UHFFFAOYSA-N 387.482 3.629 0 40 GHAB Cc1cc(C)c(NC(=O)CSc2nnc(NC(=O)C3CCC3)s2)c(C)c1 1371449 GPLIKBDHMYBTML-UHFFFAOYSA-N 390.534 3.933 0 40 GHAB CC(C)c1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccccc4)nn32)cc1 20725804 SOTVGTCUSDLNFI-KRWDZBQOSA-N 375.432 3.591 0 40 GHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C(C)C 101910314 QKFPVYOVLKNZNC-XYJFISCASA-N 385.508 3.852 0 40 GHAB COc1ccc(N(Cc2cccs2)C(=O)CCNC(=O)c2ccco2)cc1 32678583 OCBXLLPQFOJVCY-UHFFFAOYSA-N 384.457 3.703 0 40 GHAB Cc1cc(C)cc(-n2c(SCC(=O)N3CCCC3)nnc2-c2cccnc2)c1 4855189 FWHZUBAZSHVBLI-UHFFFAOYSA-N 393.516 3.661 0 40 GHAB COc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(OC)c1 6047304 ZJTFDDXVSYNOGE-SIXWZSSISA-N 378.465 3.865 0 40 GHAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1 6201373 YAORRAKTSGBEJH-UHFFFAOYSA-N 383.517 3.773 0 40 GHAB CCOC(=O)c1ccc2nc(NC(=O)c3cc(OC)cc(OC)c3)sc2c1 6206801 FSPJSNRLQMIVFQ-UHFFFAOYSA-N 386.429 3.743 0 40 GHAB O=C(OCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)c1cnccn1 6607983 SQNCGCWHDVZPBW-SFHVURJKSA-N 391.452 3.514 0 40 GHAB CCOCCCNC(=O)CSCCCC(=O)Nc1c(C)cc(C)cc1C 6788221 VJXUTYGETGWPCF-UHFFFAOYSA-N 380.554 3.607 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1ccc2c(c1)OCCO2 6916235 ZLVLVFVXYXNESK-UHFFFAOYSA-N 375.446 3.554 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 6961267 NENVGZWEPFXIDQ-MHWRWJLKSA-N 386.835 3.840 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)OCc1cc(=O)n2cccc(C)c2n1 7618934 VNIRBRSNJMDVHW-UHFFFAOYSA-N 391.452 3.792 0 40 GHAB CC[C@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 7759852 DIWQHVPGGYKHOL-SFHVURJKSA-N 381.432 3.561 0 40 GHAB COc1ccc(C)cc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1 7977228 FHEBNVFUPPJFGY-UHFFFAOYSA-N 389.883 3.544 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)ccc21 32932528 NLNPYGIFFNQCIZ-UHFFFAOYSA-N 380.444 3.904 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 8278986 OAWCUDYDPRMUGG-LLVKDONJSA-N 387.288 3.607 0 40 GHAB Cc1cc(N)nc(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 22090703 JXUYNACGLBHJQD-UHFFFAOYSA-N 388.880 3.689 0 40 GHAB COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccccc2)cc1Cl 11990503 WUVUMKRNCGWJQW-UHFFFAOYSA-N 391.832 3.977 0 40 GHAB CCOC(=O)c1sc2nc(SC)nc(-c3ccc(OC)cc3)c2c1N 704289 PAHWNTKNGVYRQY-UHFFFAOYSA-N 375.475 3.848 0 40 GHAB O=C(NC(=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 717286 PHRVDFYELKPWEO-UHFFFAOYSA-N 393.434 3.542 0 40 GHAB C[C@H](Sc1nnc(-c2cccs2)n1[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)C(N)=O 104658522 BZOQXSTXBRIGDX-PEDHHIEDSA-N 376.551 3.970 0 40 GHAB Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1C(F)(F)F 1090404 JSHIZXJGDNBEGT-UHFFFAOYSA-N 384.305 3.584 0 40 GHAB COc1ccccc1CN(C)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 105323963 RNEGQLULBFRSKS-KRWDZBQOSA-N 390.892 3.810 0 40 GHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101690639 YGPYPLBLTBVAPJ-QHSZWVADSA-N 378.463 3.660 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCC[C@@H]2CCCC[C@H]21 105882803 LWMTUWAUVHCGHF-DFQSSKMNSA-N 384.520 3.776 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc(-n2cnnc2)n1 21157407 KCAAQTFZCYLGIC-UHFFFAOYSA-N 382.855 3.558 0 40 GHAB CCOc1c(Cl)cccc1NS(=O)(=O)c1cc(C)c(C(=O)O)s1 57122136 AVBLFXKEXARKOQ-UHFFFAOYSA-N 375.855 3.608 0 40 GHAB CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc3c(c2)OCO3)CCCCCC1 24493551 XCJUBKLXDPLZQZ-UHFFFAOYSA-N 390.480 3.763 0 40 GHAB Cc1ccc(Nc2nnc(SCc3ccco3)n(-n3cccc3)c2=O)cc1C 28536159 LYZCQSYYIUQBCP-UHFFFAOYSA-N 393.472 3.997 0 40 GHAB Cc1sc(=O)n(CC(=O)N[C@@H]2C[C@H]2c2ccccc2)c1-c1ccc(F)cc1 58292305 GROIITDDWOSQFY-ZWKOTPCHSA-N 382.460 3.697 0 40 GHAB COc1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)cc1OC 100423442 UNURLJSWFGWHOU-WOJBJXKFSA-N 380.488 3.629 0 40 GHAB O=C(COCc1nc2ccccc2s1)N[C@@H](Cc1ncc[nH]1)c1ccccc1 12506966 KNVLUUIMWOYDTP-KRWDZBQOSA-N 392.484 3.636 0 40 GHAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1ccc(C)cc1C 27318252 CBIHTIJBZLLGKZ-UHFFFAOYSA-N 376.547 3.622 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2c(c1)OCCCO2 10109548 ZJHHWSPUBXPWBW-IBGZPJMESA-N 378.428 3.751 0 40 GHAB CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CC)CC2)cc1 58148970 FQILGXGOAAKPJI-UHFFFAOYSA-N 388.515 3.879 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2F)cc1C 27746471 POEPBYXWBYOSSG-ZDUSSCGKSA-N 385.395 3.989 0 40 GHAB O=C(/N=c1/[nH]c2ccccc2s1)c1cc(=O)c(OCc2ccccc2F)co1 36360836 RXZZJYPCDVSTPF-UHFFFAOYSA-N 396.399 3.642 0 40 GHAB O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 10779050 OFNYONVWXIZJJV-UHFFFAOYSA-N 376.378 3.740 0 40 GHAB O=C(CSc1nnnn1C1CCCC1)N[C@H](c1ccccc1)c1cccs1 8314945 YIBFJBNBMLKPSZ-GOSISDBHSA-N 399.545 3.848 0 40 GHAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccccc1C(F)(F)F 3254663 RPHSIAKSDLIJID-UHFFFAOYSA-N 385.363 3.912 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(c1nncs1)C3=O 2424788 XNHGPENYZQIZKG-INIZCTEOSA-N 393.399 3.842 0 40 GHAB COc1cc(C(=O)Nc2nnc([C@H](C)c3ccccc3)s2)cc(OC)c1OC 17045504 XQQZSRWHIUYEFA-GFCCVEGCSA-N 399.472 3.968 0 40 GHAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc(S(=O)(=O)NC2CC2)c1 12692498 AEFBBEDGIHPKAF-UHFFFAOYSA-N 399.299 3.615 0 40 GHAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc1 12762471 LUTHVLJHICEJRG-AWEZNQCLSA-N 397.504 3.989 0 40 GHAB COc1ccc(C)cc1/C=C/C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12767239 TVAQSWYKBNRIGD-BPOBUFBUSA-N 378.472 3.894 0 40 GHAB CCOc1ccc(OCCN2CCC(C(=O)Nc3ccccc3O)CC2)cc1 12795388 BUALISDXTZSPIA-UHFFFAOYSA-N 384.476 3.520 0 40 GHAB COc1ccc(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1OC 12760185 YFGWAFAVOOMWBM-JOCHJYFZSA-N 385.460 3.531 0 40 GHAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(S(=O)(=O)C(F)F)cc1 12814126 LTOBYXBWZFAHCT-RYUDHWBXSA-N 385.354 3.534 0 40 GHAB COc1ccc(C)cc1N1C[C@H](C(=O)N(C)c2nc3ccccc3s2)CC1=O 12812428 HHXLQSGWPZVZLC-CQSZACIVSA-N 395.484 3.629 0 40 GHAB CCc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 12822389 FHULHYPBUPKQKV-UHFFFAOYSA-N 381.501 3.928 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1Br 3408068 RIFRRBYHHQSLNB-UHFFFAOYSA-N 381.657 3.813 0 40 GHAB CC(C)(c1ccccc1)c1ccc(OC[C@H](O)CNCCc2ccccn2)cc1 3423445 UEHSGTRJGAIEPM-HSZRJFAPSA-N 390.527 3.980 0 40 GHAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1NC(=O)c1ccco1 3449200 OHEKHSMCXULTHL-WMLDXEAASA-N 398.459 3.692 0 40 GHAB Cc1cc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc(S(=O)(=O)N(C)C)c1C 12912513 OSWVHZOHPPTDPW-ZHALLVOQSA-N 392.565 3.642 0 40 GHAB O=C(c1ccc(F)c(C(F)(F)F)c1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 64621764 NFLSUAYHZIHYDL-CHWSQXEVSA-N 377.403 3.971 0 40 GHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1c(Cl)cccc1Cl 4251249 VJNNKDSWRXMAMD-UHFFFAOYSA-N 377.227 3.906 0 40 GHAB C[C@H](C(=O)N1CCCCCC1)[S@](=O)Cc1cc(Cl)c2c(c1)OCCCO2 69820366 NYFCWNHFMJFFBI-PTFIGZPYSA-N 399.940 3.541 0 40 GHAB CCc1cc2c(NCc3cccc(NC(=O)[C@H]4CCCO4)c3)ncnc2s1 69924380 QEFBWVRDFWTLTO-QGZVFWFLSA-N 382.489 3.983 0 40 GHAB O=C(COC(=O)CCc1ccccc1)Nc1ccc(Br)cc1F 6375680 WZNIFFSCOSWLEI-UHFFFAOYSA-N 380.213 3.703 0 40 GHAB CC[C@@H](C)c1ccccc1OCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 14085046 BZBFLZSUCQKPIK-HZPDHXFCSA-N 389.517 3.860 0 40 GHAB O=C1CSc2ccc(C(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)cc2N1 14085071 BWSPZRIAEDCYLX-AWEZNQCLSA-N 392.484 3.627 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 14198781 QCEFFFUXDLFWJR-HNNXBMFYSA-N 392.496 3.689 0 40 GHAB CCOc1ccccc1-c1noc(CSc2nnnn2-c2ccccc2C)n1 8708654 IAYRCMCTSVICTB-UHFFFAOYSA-N 394.460 3.712 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 9237406 ZYTIPDGQRYGXDR-MOPGFXCFSA-N 393.516 3.910 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(Cl)c(Cl)c1 5443783 AKOIIORESMHPAY-UHFFFAOYSA-N 387.288 3.804 0 40 GHAB COc1ccc(C2(C(=O)N3CCCN(CC(F)(F)F)CC3)CCCCC2)cc1 65899000 SLGYMWWFTVKKFP-UHFFFAOYSA-N 398.469 3.994 0 40 GHAB CCN(CC)CCn1/c(=N/C(=O)c2cc3ccccc3o2)[nH]c2ccccc21 14651367 CIDFJGUORKIQSX-UHFFFAOYSA-N 376.460 3.799 0 40 GHAB CCC[C@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc2c(c1)OCO2 5643182 WKUGGNRMOALCIG-MGPLVRAMSA-N 375.450 3.690 0 40 GHAB COc1ccc(CCOC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 5991491 LLDPMIDFXSUMTP-UHFFFAOYSA-N 382.243 3.518 0 40 GHAB COC(=O)Nc1cccc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 67206094 SAHCQKARIVGALD-OAHLLOKOSA-N 377.441 3.593 0 40 GHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)no1 7473027 CLKDXCSLFQPNJY-ZDUSSCGKSA-N 399.451 3.616 0 40 GHAB O=C(CN1C(=O)COc2ccccc21)Nc1cccc(/C=C/c2ccccn2)c1 7978031 FPCLDKZRWNTEKO-VAWYXSNFSA-N 385.423 3.616 0 40 GHAB C[C@@H](NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccc(-n2ccnc2)cc1 7986002 JGFVLHMLDUQLLS-MRXNPFEDSA-N 379.485 3.840 0 40 GHAB Cc1cc(C)n(CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)n1 8232104 GKVCMKPKGBKKOX-UHFFFAOYSA-N 382.489 3.634 0 40 GHAB CC(C)c1ccc([C@H](NC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 9759072 QEOMXBYAUSIAAL-HXUWFJFHSA-N 381.524 3.829 0 40 GHAB Cc1sc(NC(=O)[C@@H](C)NC(=O)c2ccco2)nc1-c1ccc(F)c(F)c1 25447459 UQXSUPYFYWDBMA-SECBINFHSA-N 391.399 3.747 0 40 GHAB Cc1cccc2sc(NC(=O)[C@@H]3CC(=O)N(CCc4ccc(F)cc4)C3)nc12 9667467 YZPULHWEMYAIFC-OAHLLOKOSA-N 397.475 3.774 0 40 GHAB CC[C@](C)(NCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1nccs1 72305184 MYKCHXRBKSYHBJ-HNNXBMFYSA-N 382.415 3.553 0 40 GHAB CCC(=O)N1CCc2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N(C)C)ccc21 72309365 RPJDCJFXLBIGMZ-FQEVSTJZSA-N 399.922 3.672 0 40 GHAB O=C(CS(=O)(=O)C1CCCC1)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 78976527 YJPVHIZNTQOTFU-UHFFFAOYSA-N 389.521 3.907 0 40 GHAB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)Nc3ccccc3F)cc21 20428108 MKOPVGDVDXERKN-UHFFFAOYSA-N 397.454 3.650 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)NCCCN2CCCCCC2)cc1OC 20042106 FZISHQVQOSYOCX-INIZCTEOSA-N 380.554 3.567 0 40 GHAB Cc1nn(C)c(C)c1[C@@H](C)c1nc([C@H]2CN(Cc3ccccc3)[C@@H](C)CO2)no1 547227255 GVKOHHQHQFXKEA-QMTMVMCOSA-N 395.507 3.534 0 40 GHAB Cc1ccc(N2C(SCc3cccc(C)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1 32641226 ZXXDXUZVKYYCQZ-OALUTQOASA-N 386.542 3.578 0 40 GHAB O=C(O)c1ncoc1C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1535539070 IFNNVMFLRQZLAY-UHFFFAOYSA-N 390.395 3.721 0 40 GHAB COc1ccc(C(C)=O)cc1CSCCC(=O)Nc1ccc2c(c1)OCO2 32825937 BNPGKYUCXSRDLV-UHFFFAOYSA-N 387.457 3.889 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1cccc(OC)c1)CCCC3 35079613 SCKWNQRIZNNYFA-IBGZPJMESA-N 393.487 3.946 0 40 GHAB CN1CCN(c2ccc(NC(=O)CSCc3ccc(Cl)cc3)cc2)CC1 32896540 GGFCUOILKNLSIE-UHFFFAOYSA-N 389.952 3.964 0 40 GHAB CCOCc1ccccc1CNC(=O)c1cccc(I)c1 32809419 VMRBLEMZBMVVBL-UHFFFAOYSA-N 395.240 3.758 0 40 GHAB COc1cccc(CN2CCCC[C@H]3CN(C(=O)Cc4ccccc4)C[C@H]32)c1 72330656 UAYBUYXAADPAHP-JTHBVZDNSA-N 378.516 3.751 0 40 GHAB COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1 72378485 XWXIBMPYTQEIMK-LJQANCHMSA-N 390.487 3.615 0 40 GHAB C[C@@]12CCCN(C(=O)c3nsc(Cl)c3Cl)[C@@H]1CCc1cncnc12 72342437 OYYFZAYZNFEFCL-QLJPJBMISA-N 383.304 3.749 0 40 GHAB Cc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1C 226043480 WDWIIDZXKDIAKB-UHFFFAOYSA-N 396.512 3.740 0 40 GHAB FC(F)(F)c1ccc(NC(=S)N2CCN(C3CCSCC3)CC2)cc1 225217392 QWHLSFQOIYVUOR-UHFFFAOYSA-N 389.512 3.915 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 222487189 KUZNIWZJLJDWNT-GOSISDBHSA-N 382.504 3.661 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1ccccc1F)S(C)(=O)=O 220595400 RZDVPSROBODQKS-KRWDZBQOSA-N 392.496 3.880 0 40 GHAB Cc1nn(C)c(C)c1/C=C(\[C@H](O)c1ccc(Cl)cc1Cl)n1cncn1 85905712 FBGSUFAVICBVTR-DYFCPDHGSA-N 378.263 3.667 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1 222683181 QZIZRCZFSWNESZ-CYBMUJFWSA-N 395.286 3.536 0 40 GHAB FC(F)(F)c1cc(N2CCCC2)nc(NC(=S)NCc2ccccc2)n1 225929221 MRAOSEQYIUOYNU-UHFFFAOYSA-N 381.427 3.582 0 40 GHAB CC(C)N1CCN(c2ccc(C(=O)N(C)c3cccc4cc[nH]c34)cc2)CC1 1586941345 JCMHPUUFRPDLST-UHFFFAOYSA-N 376.504 3.975 0 40 GHAB O=C([C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1)N1CCc2ccccc2C1 199411027 BQZLFFMTQQMIAZ-VWLOTQADSA-N 398.506 3.904 0 40 GHAB COCCn1c(C(=O)NCc2ccccc2OC)cc2c1c1ccccc1n2C 96037233 MHOWGXXIOFPDRM-UHFFFAOYSA-N 391.471 3.718 0 40 GHAB CCc1ccccc1NC(=O)N1CC[C@]2(CC[C@@H](C(=O)NCC3CC3)O2)[C@H](C)C1 96261020 GNWLNBUCZNCVOW-NIJIEXERSA-N 399.535 3.567 0 40 GHAB Cc1cc([C@H]2CCCCN2C(=O)c2cccnc2)nc(-c2c(C)noc2C)n1 257250391 JMIQPFZONKMYQB-GOSISDBHSA-N 377.448 3.819 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)CC(C)(C)C)CC1 257295314 QXVRVGHGSANMQI-HOTGVXAUSA-N 388.556 3.955 0 40 GHAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)c3cscn3)CC2)n1 257222869 DUYAEXHGWHBEJM-UHFFFAOYSA-N 383.477 3.533 0 40 GHAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC[C@@H](N(C)CC(=O)O)CC1 263455408 BXSPNDLTZOWELG-OAHLLOKOSA-N 395.931 3.868 0 40 GHAB N[C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)CCSc3ccccc3Cl)C2)C1 653191559 XRHJCXIPNOKFKW-ZMSDIMECSA-N 382.957 3.567 0 40 GHAB C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccn1)c1nc(-c2ccccc2)no1 1637593780 KUENOZHXFXTOGA-NSHDSACASA-N 376.338 3.684 0 40 GHAB CCc1ccc(CN2CCCCCc3ccccc3OC[C@@H](O)[C@@H](O)CC2)cc1 1615162250 UZNOYXMORCWHJZ-BJKOFHAPSA-N 397.559 3.968 0 40 GHAB O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCC(Cc2ncon2)CC1 1638835430 LJYAGDHKTZVJKL-UHFFFAOYSA-N 379.247 3.953 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 5448253 ZQILUICFABLBBW-DOMZBBRYSA-N 378.929 3.923 0 40 GHAB CC(C)c1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 5428615 FXGKGBYXYIRYJC-UHFFFAOYSA-N 396.411 3.846 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@@H](C)Cn3ccnc3C)[C@H]3CCCC[C@H]32)cc1 12128890 XPONAEOUUQYWOU-YYERIDGHSA-N 381.520 3.925 0 40 GHAB O=C(CCNC(=O)c1ccc(Cl)cc1)NCc1ccc(C(F)(F)F)cc1 12623166 JKXLOGJHIOPIRV-UHFFFAOYSA-N 384.785 3.795 0 40 GHAB O=S(=O)(NC1CCN(c2nc(-c3ccccc3)cs2)CC1)c1ccccc1 13565476 LONFCBVJHVMWQY-UHFFFAOYSA-N 399.541 3.757 0 40 GHAB Fc1cccc(Cl)c1CN(CCCN1CCOCC1)Cc1ccncc1 13989983 FFOHNZCXKRMHQN-UHFFFAOYSA-N 377.891 3.599 0 40 GHAB CSc1ccc(-c2nc(N3CCOCC3)nc3c2C(=O)c2ccccc2-3)cc1 17079504 UNODSGKLCLDWGB-UHFFFAOYSA-N 389.480 3.914 0 40 GHAB CC(=O)N1CCc2sccc2[C@H]1c1ccccc1NC(=O)c1ccncc1 19018145 WQUMZXUKSNUZDM-HXUWFJFHSA-N 377.469 3.889 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2cc(C)no2)cc1 19122371 TVJGRPQVMWXGLZ-LJQANCHMSA-N 392.459 3.663 0 40 GHAB Cc1ccnn1[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C 19238297 HUMIKHADCGUQET-UVUJQTEASA-N 380.536 3.622 0 40 GHAB Cc1nc(C)n(C[C@@H](C)C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)n1 19285966 QCXFKNOSLGIGIM-RISCZKNCSA-N 375.542 3.777 0 40 GHAB O=C(c1cc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1)N1CCCC1 19347021 WRSCDVSYIYSHDM-IBGZPJMESA-N 390.487 3.838 0 40 GHAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1Cn1cncn1 19349825 DBDTVOAJXFIBEV-UHFFFAOYSA-N 393.447 3.765 0 40 GHAB COc1ccc(Br)cc1CN1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 19361795 HZIUADIWXDMZDB-DAYGRLMNSA-N 379.342 3.764 0 40 GHAB COc1ccc(CN2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)cc1OC 19561123 VYKDNINWIFKDPW-JOCHJYFZSA-N 382.435 3.965 0 40 GHAB Cc1nn(C)cc1-c1cc(C(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)on1 19584109 KIEURTPYVKRKMG-UHFFFAOYSA-N 378.436 3.646 0 40 GHAB CN(C)c1ncccc1CN1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1 19584151 AZQXZEGLPGUXBT-UHFFFAOYSA-N 394.563 3.785 0 40 GHAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc1C 8336373 NAVFGURLZQKSKA-YVLHZVERSA-N 390.505 3.685 0 40 GHAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O 8371642 OHEXGUNZLDPDNN-BOPFTXTBSA-N 382.441 3.679 0 40 GHAB CC[C@H](C(=O)N1CCC(c2noc(-c3cnc(C)cn3)n2)CC1)c1ccccc1 12187436 KQZBPFWRKDSHDX-SFHVURJKSA-N 391.475 3.735 0 40 GHAB O=C1COC2(CCN(Cc3c(F)cccc3F)CC2)CN1c1ccc(F)cc1 2037840255 KOEAPMDTNWRJLF-UHFFFAOYSA-N 390.405 3.502 0 40 GHAB CCOc1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 9040202 YXBMDMHCUNIMSQ-CQSZACIVSA-N 387.867 3.913 0 40 GHAB CN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 9169826 UQNKITIETCHDOQ-UHFFFAOYSA-N 394.880 3.522 0 40 GHAB COc1ccccc1[C@H]1c2c(C)n[nH]c2C(=O)N1CCc1c[nH]c2ccccc12 9420677 HTRRDYZCRONCQK-QFIPXVFZSA-N 386.455 3.996 0 40 GHAB CCOc1ccc(NC(=O)N2CCc3c(c(=O)c4cc(C)ccc4n3C)C2)cc1 1775969027 TXKDTBMUVNJUIW-UHFFFAOYSA-N 391.471 3.836 0 40 GHAB Cc1cc(NC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)ccc1F 101301773 ONUOPVOAPYQDHK-UHFFFAOYSA-N 389.386 3.791 0 40 GHAB COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cccc(F)c4)c32)cc1O 49548934 MLSOWHZBEYOQLO-AWEZNQCLSA-N 396.374 3.503 0 40 GHAB O=C(CCc1ccccc1Br)NC[C@@H]1CCCN1c1nccs1 206778787 JSDIRZMUESYIDR-AWEZNQCLSA-N 394.338 3.623 0 40 GHAB O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1n[nH]c2ccccc12 10425691 IPIIKVQWQUBNDW-UHFFFAOYSA-N 377.444 3.576 0 40 GHAB O=c1c2c3c(sc2ncn1C[C@@H](O)c1ccc(OC(F)(F)F)cc1)CCC3 51265262 GSMPYGJRXYPNDT-CYBMUJFWSA-N 396.390 3.579 0 40 GHAB CCOc1ncccc1C(=O)OCC(=O)N1CC[C@H](C)Sc2ccccc21 11480064 OOUWQRDOHSSTFS-AWEZNQCLSA-N 386.473 3.555 0 40 GHAB CC(C)(C)C(=O)NCC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 29368102 KNRRNMOBBAQDRT-UHFFFAOYSA-N 381.501 3.988 0 40 GHAB O=C(CN1CCN(c2ccccc2Cl)CC1)N[C@H]1CCCc2ccccc21 59785449 XCOBWSXJZRXPRS-FQEVSTJZSA-N 383.923 3.656 0 40 GHAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCOCC1 900473 IGFZZDOUZNXNML-LBPRGKRZSA-N 397.422 3.502 0 40 GHAB CCCCc1ccc(-n2c(SCC(=O)NC)nnc2-c2cccnc2)cc1 4215836 YVNKPXKHJJMIKL-UHFFFAOYSA-N 381.505 3.510 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1nc(-c2ccco2)sc1C)c1cccs1 32776566 WFJIIZDFQMWOLD-LLVKDONJSA-N 376.459 3.807 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCCC2 32738646 FAFWBRILBBKTLY-OAHLLOKOSA-N 387.501 3.766 0 40 GHAB COc1cc([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)OC3)ccc1O 4944680 CLUNZTXRJOLUSW-CQSZACIVSA-N 399.830 3.694 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2cccc(O)c2)c1 6681105 RCPJUEJKIANJLH-UHFFFAOYSA-N 388.470 3.531 0 40 GHAB CCOc1ccccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)CC1=O 7881525 DUQKFMYTPKWKPE-FUHWJXTLSA-N 395.455 3.561 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 7882390 HSQUYUAZDXBJPI-SFHVURJKSA-N 394.471 3.862 0 40 GHAB Cc1ccc(C)c(NC(=O)CCCN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 2690166 HNXIRZIEZCZKIV-UHFFFAOYSA-N 394.924 3.996 0 40 GHAB Cc1c(C(=O)N(C)C)sc2ncn3nc([C@H]4C[C@H]4c4ccccc4)nc3c12 2791554 PHJOPWRSMOLXJM-KBPBESRZSA-N 377.473 3.620 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ncnc3ccsc23)c1C 22004892 UAVKFNHLWWUFLF-SNVBAGLBSA-N 375.475 3.786 0 40 GHAB COc1ccc(CC(=O)NCc2ccc(OCC(F)(F)F)cc2)c(OC)c1 22418125 MFDXFDTUGIMBEY-UHFFFAOYSA-N 383.366 3.504 0 40 GHAB CCOc1ccc2nc(SCC(=O)Nc3ccccc3C(N)=O)sc2c1 707338 JSGSTWOFQCFBHP-UHFFFAOYSA-N 387.486 3.525 0 40 GHAB CN(Cc1ccccc1F)C(=O)CN1CCO[C@H](c2ccc(Cl)cc2)C1 52247688 DGMPQWGLIUFRRK-IBGZPJMESA-N 376.859 3.511 0 40 GHAB CCOc1ccc(CCC(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1OCC 20106034 KRCUUUHLNVIZCE-RTBURBONSA-N 390.568 3.901 0 40 GHAB FC(F)(F)c1cccc(CSc2nnnn2-c2ccc3c(c2)OCO3)c1 1101511 AFUMGMHZSZZWHL-UHFFFAOYSA-N 380.351 3.702 0 40 GHAB COC(=O)c1cc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c(F)cc1F 24428345 WEZCZCRIBBRNHB-VOTSOKGWSA-N 387.791 3.817 0 40 GHAB COc1ccc(C(=O)NC(=S)N2CCc3ccccc32)cc1Br 1298567 DIQDSMMFCUIYEU-UHFFFAOYSA-N 391.290 3.535 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)c1cccc(Nc2ncccn2)c1 24757420 NWSCDYHUWXBRGS-UHFFFAOYSA-N 387.487 3.746 0 40 GHAB Cc1nc2ccc(C(=O)N3[C@@H]4CC[C@@H]3CC(O)(c3ccccc3F)C4)cc2[nH]1 100760260 QHLPOWFHMLIKOB-HZPDHXFCSA-N 379.435 3.665 0 40 GHAB C[C@@H](CC(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1ccccc1 25294185 QGXHBXPMROSMDO-HOTGVXAUSA-N 377.448 3.610 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C)c1 35268999 GSKKRJJBXKWQFI-OALUTQOASA-N 379.504 3.981 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)CCc1nc2ccccc2s1 3246892 RGZGKDKFXKBGJT-MRXNPFEDSA-N 396.512 3.910 0 40 GHAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 58033960 XUKASYONQWGCKS-LAUBAEHRSA-N 396.535 3.771 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccc1N1CCCCC1 58007246 QLNBKIDKEPTMQU-QGZVFWFLSA-N 381.476 3.981 0 40 GHAB CCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 27582834 CWKURMMZDNXFNW-QFIPXVFZSA-N 396.531 3.977 0 40 GHAB Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cnc(N)c(Cl)c3)c2)cc1 58315598 WITFEVINXNIJDJ-UHFFFAOYSA-N 394.862 3.808 0 40 GHAB CCNC(=O)COc1ccc(NC(=O)NCc2cccc(C(F)(F)F)c2)cc1 48361930 UKVCKKFRLKKFRJ-UHFFFAOYSA-N 395.381 3.542 0 40 GHAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)c1C 12880706 VKWAVSAGYKECQI-QGZVFWFLSA-N 385.489 3.648 0 40 GHAB CN(C)[C@H](CNC(=O)c1cc(F)ccc1Br)c1cccc(F)c1 12822229 BGXLRWRBVVQSPC-MRXNPFEDSA-N 383.236 3.760 0 40 GHAB Cc1ccc(-n2ncc(C(=O)N3CCN(Cc4ccccc4F)CC3)c2C)cc1 12997828 YKWJGRHCKJNKTK-UHFFFAOYSA-N 392.478 3.586 0 40 GHAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)CCCC2 12943354 UIQSQXZSNIEVED-IBGZPJMESA-N 378.472 3.727 0 40 GHAB CCOc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1OC 13071402 VCSLWOOATVKUMX-UHFFFAOYSA-N 388.895 3.705 0 40 GHAB O=C(NC(=S)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21)c1ccccc1 4051758 KNVFXCUPOOWGDC-OXJNMPFZSA-N 390.464 3.852 0 40 GHAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)c4ccccc4)[C@H]3C2=O)cc1 409371922 JWHUQKBNRDVHRQ-BLKABHOGSA-N 399.446 3.868 0 40 GHAB CCn1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1ccco1 8709304 GERANRZBWRFQIN-MRXNPFEDSA-N 386.452 3.809 0 40 GHAB COc1ccc(-c2n[nH]c(SCC(=O)N3CCCc4ccccc43)n2)cc1 6154598 VCBLRAIYOJNBOO-UHFFFAOYSA-N 380.473 3.552 0 40 GHAB CCc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)cc1 18223024 CPJPENYFMZUVIW-NRFANRHFSA-N 375.472 3.503 0 40 GHAB COc1ccc(CNC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1 8813154 ORSITZKSOLFWHP-UHFFFAOYSA-N 381.501 3.726 0 40 GHAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)NC1CCCC1 5396635 QBWZQPUBTDUKBW-LBPRGKRZSA-N 376.551 3.805 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 14167567 IVWSGYBULNLIST-YZKFCBKFSA-N 399.299 3.802 0 40 GHAB COc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCOCC3)cs2)cc1 19198109 XFNKWARWVATSIK-UHFFFAOYSA-N 395.484 3.908 0 40 GHAB COc1cccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)c1 4545651 BIFZBNMYMCTYOV-UHFFFAOYSA-N 389.835 3.802 0 40 GHAB Cc1cc(-c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 6590504 XMYAGQJCYKLAMV-UHFFFAOYSA-N 377.831 3.762 0 40 GHAB O=C(Cn1cnc2cc(-c3ccccc3)sc2c1=O)N1CCCCCCC1 14366302 OGRNOVGRHFWQHW-UHFFFAOYSA-N 381.501 3.918 0 40 GHAB COc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)cc1OC 8916919 JMEQLWFZUAKDNL-UHFFFAOYSA-N 397.431 3.895 0 40 GHAB CCN1CCN(c2c(Cl)cccc2NC(=O)c2cccnc2Cl)CC1 4747588 FOWDSFUFNDEZFP-UHFFFAOYSA-N 379.291 3.783 0 40 GHAB COc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1 4731930 SQWIJYMTULVBIU-ZDUSSCGKSA-N 381.457 3.605 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5672897 VXYZBJZWNBQCOS-HNNXBMFYSA-N 380.444 3.573 0 40 GHAB O=C(NC1CC1)[C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1 7861551 HLFBMWPFVIWTGA-IBGZPJMESA-N 391.496 3.843 0 40 GHAB O=C(O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 7884209 HBYHDOMBCRAOPH-JOCHJYFZSA-N 388.423 3.917 0 40 GHAB O=C1CCc2cc(-c3csc(NC(=O)c4cn5ccccc5n4)n3)ccc2N1 7987304 JLKIHWXEBIKUAY-UHFFFAOYSA-N 389.440 3.595 0 40 GHAB CCCCn1c(-c2cc3c(s2)CCC3)nc2cc(S(N)(=O)=O)ccc21 8166304 UGTUROQPSQTGBT-UHFFFAOYSA-N 375.519 3.701 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)Nc1cccc(CN2CCOCC2)c1 69349215 VQCPCCKVJWIEMR-UHFFFAOYSA-N 391.874 3.975 0 40 GHAB Cc1sc(-n2cccc2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C 84061949 IWLFJZZDXRAXIU-UHFFFAOYSA-N 389.521 3.849 0 40 GHAB CCn1c(SCC(=O)Nc2cccc3cccnc23)nnc1-c1ccco1 9864670 IICSDITZUSSNAT-UHFFFAOYSA-N 379.445 3.837 0 40 GHAB CCOC(=O)[C@@](C)(Cc1ccccc1)NC(=O)Cc1coc(-c2cccs2)n1 78877725 LCLYFJDGBFZJDZ-OAQYLSRUSA-N 398.484 3.626 0 40 GHAB COCc1ccc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1 97102764 BGOXGIABPXYPNX-QZTJIDSGSA-N 380.271 3.870 0 40 GHAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)C1 95350126 DGNGMZCVAFSFNH-QGZVFWFLSA-N 398.484 3.710 0 40 GHAB O=C(C[C@@H]1CC(=O)Oc2ccccc21)NCCc1c[nH]c2ccc(Cl)cc12 79192054 CFZOJBLYJJZQPI-CQSZACIVSA-N 382.847 3.963 0 40 GHAB biogenic Cc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)c(SCCC(=O)O)c1 95941735 GFMKOKLSOSUVLV-UHFFFAOYSA-N 379.503 3.979 0 40 GHAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1C 408604256 LPIUHTWEAQOIEM-UHFFFAOYSA-N 387.288 3.852 0 40 GHAB CC(C)c1c(C(=O)NO[C@@H]2CCCCO2)cnn1-c1ccc(C(F)(F)F)cn1 60333335 NSMHOLSCZWAEGI-OAHLLOKOSA-N 398.385 3.598 0 40 GHAB Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1C 30756195 VMVWOIQRPPYJHJ-UHFFFAOYSA-N 386.517 3.871 0 40 GHAB CC[C@H](C(=O)N(C)Cc1nnc(-c2ccc(OC)c(OC)c2)o1)c1ccccc1 408714199 LBIPMECRQWRFCN-KRWDZBQOSA-N 395.459 3.906 0 40 GHAB O=C1C[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N2NC=NC2=N1 409376218 WBFXHCNWBBDFJD-INIZCTEOSA-N 389.242 3.748 0 40 GHAB COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1 38753054 KTHWVNJXGVCZDM-GFCCVEGCSA-N 384.295 3.638 0 40 GHAB COc1ccc(/C=C/C(=O)NCc2cccc(CN3CCCC3)c2)cc1OC 32461902 FJVKFYRZIMAWMU-PKNBQFBNSA-N 380.488 3.629 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 72345908 UNHXXFYKSDHUCL-KRWDZBQOSA-N 376.435 3.885 0 40 GHAB COc1cccc(NC(=O)N2CCN(c3nc4c(F)cccc4s3)CC2)c1 38550875 VLPAVSPCKIOVBN-UHFFFAOYSA-N 386.452 3.798 0 40 GHAB CCOC(=O)C1(c2ccc(NC(=O)c3cnn(Cc4ccccc4)c3)cc2)CC1 225889062 ALFCGQMHUYTLRB-UHFFFAOYSA-N 389.455 3.778 0 40 GHAB COc1cc(C(=O)Nc2cc(C)c(O)c(Br)c2)cc(OC)c1OC 226242765 LGQOPZFMJMKIRG-UHFFFAOYSA-N 396.237 3.741 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(Cl)c1 224673948 SPIBJAOZKIEVLY-HNNXBMFYSA-N 390.886 3.964 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 222800243 OMSJXYVWLOKCBZ-ZWKOTPCHSA-N 383.908 3.913 0 40 GHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)c(OC)c1 224813165 NQODTWOQCYBMMM-WOJBJXKFSA-N 394.500 3.614 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@]1(O)CCc2ccccc21 77184932 JVCRLRYPBTUMPK-NRFANRHFSA-N 382.847 3.867 0 40 GHAB C[C@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)Cc1ccccc1 222762498 SPEVANLJPODVBA-GOSISDBHSA-N 376.456 3.556 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 222887526 DUPKHDNKKOOSNQ-OAHLLOKOSA-N 390.936 3.986 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 224619378 MJNDIXQCJVUAML-JOCHJYFZSA-N 396.531 3.832 0 40 GHAB CCCSc1ncc(Cl)c(C(=O)NCC(=O)Nc2cccc(C)c2C)n1 46086909 KBBLIMMNWLNJRB-UHFFFAOYSA-N 392.912 3.617 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1 225729815 PHDVJYUWFBRXRD-IYBDPMFKSA-N 377.554 3.518 0 40 GHAB COc1nc(SC)ncc1/C=C1/SCCN1C(=O)CCc1ccccc1 225240495 HKLWXMHDLFHKGN-SFQUDFHCSA-N 387.530 3.714 0 40 GHAB Cc1ccc(Nc2ncnc3c2cnn3C2CCNCC2)cc1Br 228933625 IOLUPBWNYYWGHG-UHFFFAOYSA-N 387.285 3.565 0 40 GHAB Cc1n[nH]c(-c2ccc(F)cc2)c1CC(=O)N1CCO[C@@H](c2ccccc2)C1 95474598 CNWKKCNWXKYSLY-HXUWFJFHSA-N 379.435 3.667 0 40 GHAB CC(=O)Nc1cc(Cl)c(NS(=O)(=O)c2cn(C(C)C)cn2)c(Cl)c1 585138539 ZCVHDRDWJXFTGX-UHFFFAOYSA-N 391.280 3.530 0 40 GHAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 257249300 JHPBQUQFLRXRBS-FIKGOQFSSA-N 397.567 3.941 0 40 GHAB Cc1c(Br)cccc1NC(=O)c1cccnc1O[C@@H]1CCOC1 253396237 DJPIIRFIRTWXHO-GFCCVEGCSA-N 377.238 3.573 0 40 GHAB COc1cccc(Nc2cc(C)nc([C@@H]3CCN(Cc4cnn(C)c4)C3)c2)c1 257333729 YCVCOCHUVXVDDL-GOSISDBHSA-N 377.492 3.865 0 40 GHAB O=C1CCCc2cc(S(=O)(=O)N3CCCCC[C@@H]3c3ccco3)ccc2N1 605805822 DEUVUIFBLYXDQE-GOSISDBHSA-N 388.489 3.860 0 40 GHAB CN(C)CC(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1ccccc1C(F)(F)F 65492170 LRBCKZQHPRSAHQ-HNNXBMFYSA-N 391.393 3.680 0 40 GHAB C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC[C@H]1C(=O)O 630569132 VUROMXUTMKBGSW-DGCLKSJQSA-N 391.374 3.727 0 40 GHAB CC1(C(=O)NC2CC3(CCN(Cc4ccc(OCC(F)F)cc4)CC3)C2)CC1 585102735 CJFDQHYXRBYYSL-UHFFFAOYSA-N 392.490 3.991 0 40 GHAB Cc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)O2 49114528 CHEUTPWOLURCHV-UHFFFAOYSA-N 389.455 3.820 0 40 GHAB C[C@H](CN1CCNC(=O)[C@@H]1Cc1cccc(-c2ccncc2)c1)c1ccccc1 72351656 CDMACZZYPLTCQZ-DVECYGJZSA-N 385.511 3.895 0 40 GHAB CCc1nc(COc2ccc(C(=O)Nc3cccc(C(F)(F)F)n3)cc2)no1 97002052 YLWHWBSUMGYUAD-UHFFFAOYSA-N 392.337 3.877 0 40 GHAB Cn1/c(=N\C(=O)CSc2nnc(-c3ccccc3)o2)sc2ccccc21 104991292 DGKJRHBSQUXDQZ-HTXNQAPBSA-N 382.470 3.509 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 1073738263 PYOKPORQYVBGKD-TWOQFEAHSA-N 384.501 3.714 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1Cl)OCCN1C(=O)c2ccccc2C1=O 3305696 ULENCNLLXGKXSO-SOFGYWHQSA-N 390.222 3.846 0 40 GHAB Cc1ccc2[nH]c(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)nc2c1 5071497 QBYINARBUSLUMB-CYBMUJFWSA-N 380.473 3.727 0 40 GHAB Cc1ccccc1CSCC(=O)N(C)CC(=O)Nc1ccccc1Cl 5368115 JDRPQYYUTPFKMY-UHFFFAOYSA-N 376.909 3.979 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(C)c3C)C2=O)cc1 5751720 HEHDBERODSXMTE-LICLKQGHSA-N 383.473 3.625 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 12198625 HVGHNRXBXZIGPQ-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NC1=NCCS1 14140803 PHJANQBVHHPSGJ-UHFFFAOYSA-N 376.279 3.652 0 40 GHAB Cc1sc2nc(C)n(C3CCN(C(=O)c4ccccc4F)CC3)c(=O)c2c1C 19561231 CPPKTDXTMWOQLM-UHFFFAOYSA-N 399.491 4.000 0 40 GHAB Cc1ccc(C2(C(=O)N(C)Cc3cc([C@H]4CCCNC4)nn3C)CCCC2)cc1 19709155 YOPOZJHPSTWINE-IBGZPJMESA-N 394.563 3.666 0 40 GHAB CC[C@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 19946941 IJSOSYJTIBSNFO-SFHVURJKSA-N 388.533 3.722 0 40 GHAB Cc1nc(C)c(C(=O)N2CC[C@H](COc3ccc(-c4ccccc4)nn3)C2)s1 1888904227 BRPDNJXTLJQHHB-INIZCTEOSA-N 394.500 3.758 0 40 GHAB O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CCC(F)(F)CC1 1889101140 ZOMZIKRJWWKAHE-UHFFFAOYSA-N 377.357 3.575 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NC[C@@]1(O)CCCc2sccc21 1889241340 XJKVPDMOUXXFIU-KRWDZBQOSA-N 386.300 3.774 0 40 GHAB COc1ccc(-c2nnc([C@@H](C)N3CCN(c4cccc(C)c4)CC3)o2)cc1 27385096 AAOLJBKEEZKUKR-QGZVFWFLSA-N 378.476 3.937 0 40 GHAB CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1cccs1 27379735 OJNYTXTVBDHBAF-WBVHZDCISA-N 397.500 3.863 0 40 GHAB O=C1N(c2ccccc2)CCCC[C@@]12CN(Cc1c(F)cccc1F)CCO2 2037984231 UTANQZRCNIEBRI-JOCHJYFZSA-N 386.442 3.753 0 40 GHAB COc1cccc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)c1 4377189 RCDXRUFVWLUGMG-UHFFFAOYSA-N 398.440 3.567 0 40 GHAB COc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)c(OC)c1 7574039 SORNEVDZOGVMPO-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB O=C(NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1)Nc1cccc(Cl)c1 9066717 QEAMURNJAMYWQL-AWEZNQCLSA-N 375.831 3.649 0 40 GHAB COc1ccc(-c2ccc(C)c(NC(=O)c3c(OC)cccc3OC)c2)nn1 11694185 IFQRTJBNMGKTMB-UHFFFAOYSA-N 379.416 3.730 0 40 GHAB O=C(CCCn1nc(-c2cccs2)ccc1=O)Nc1cc(F)ccc1F 13698659 LZIMXXCFUAENDN-UHFFFAOYSA-N 375.400 3.669 0 40 GHAB CN1CCN([C@H](CNC(=O)Nc2cccc(Cl)c2)c2ccsc2)CC1 22765474 BIZBXWULABNJFH-QGZVFWFLSA-N 378.929 3.512 0 40 GHAB Cc1nccc(OC2CCN(C(=O)c3ccccc3SC(F)F)CC2)n1 585147049 XDGPTWLGDPKHHW-UHFFFAOYSA-N 379.432 3.783 0 40 GHAB CSc1nc2n(n1)[C@@H](c1ccc(C)o1)C(C(=O)Nc1ccccc1)=C(C)N2 12289302 WHEKILLJAKULGH-INIZCTEOSA-N 381.461 3.829 0 40 GHAB Cc1ccc2nc(C)cc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)c2c1 40050318 XPAYLGKFMOTGHW-QGZVFWFLSA-N 385.471 3.914 0 40 GHAB CC(=O)c1ccc(OCC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1 40150984 DUWKBXZIIDTIOQ-UHFFFAOYSA-N 386.411 3.616 0 40 GHAB Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c(C)c(C)c1C 31745349 JQZNMMIJXZJBBB-UHFFFAOYSA-N 392.546 3.541 0 40 GHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccccc1SCC(=O)N(C)C 36866410 FQVNBEVTWYHLGN-OAHLLOKOSA-N 386.517 3.675 0 40 GHAB Cc1ccc(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1C(F)(F)F 11706002 PRRUVBZVKQLYFA-UHFFFAOYSA-N 391.393 3.957 0 40 GHAB CCn1c2ccccc2c2cc(/C=C/C(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)ccc21 69741299 HMJPHJWYOIEOLS-BSECCWRJSA-N 389.499 3.940 0 40 GHAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1 2636051 SZTPQNGCRMFOPW-UHFFFAOYSA-N 395.742 3.738 0 40 GHAB Cc1cc(C)c(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(Cl)c1 3550791 MHLGWHFTTHMHKK-UHFFFAOYSA-N 377.872 3.540 0 40 GHAB Cc1ccc2cc(CN(CCCO)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 4132433 FVNGQPNIYHCQJA-UHFFFAOYSA-N 399.491 3.557 0 40 GHAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)c1ccc2c(c1)NC(=O)CO2 32741738 VGFDDVXXMGLNAE-LLVKDONJSA-N 397.431 3.910 0 40 GHAB O=C(Nc1cc(F)ccc1F)[C@H]1CC(=O)N(c2ccccc2Br)C1 32796236 HAGXULLRNDJKKS-JTQLQIEISA-N 395.203 3.719 0 40 GHAB CCc1ccccc1NC(=S)N1CCC(NC(=O)c2cccc(F)c2)CC1 4857567 IPHCMYFNYRJMAY-UHFFFAOYSA-N 385.508 3.979 0 40 GHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccccc2Cl)cc1 6386296 SZZQVMVYDKCRRV-UHFFFAOYSA-N 391.880 3.581 0 40 GHAB CC(C)c1nn2c(=O)cc(COC(=O)C34CC5CC(CC(C5)C3)C4)nc2s1 6780094 XHIUKNRKDZTZHG-UHFFFAOYSA-N 387.505 3.534 0 40 GHAB COc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 7929481 FCEHUMHSBRMKFN-LLVKDONJSA-N 380.227 3.961 0 40 GHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(-n2cccn2)nc1 32802665 CVYUWHTYVTYLOS-UHFFFAOYSA-N 389.381 3.628 0 40 GHAB C[C@@H]1CN(c2ccc(CNC(=O)CCc3ccccc3Cl)cn2)C[C@@H](C)O1 32930462 FMKSEMAJMAUTSI-HZPDHXFCSA-N 387.911 3.598 0 40 GHAB Cc1c(O)ccc2c(COC(=O)c3ccc(C(F)(F)F)cn3)cc(=O)oc12 32903518 QLWWDPAWXHVBRA-UHFFFAOYSA-N 379.290 3.578 0 40 GHAB COc1ccc(OC)c(C(=S)N2CCN(c3cccc(Cl)c3)CC2)c1 9188007 NJKXURZXSUHTME-UHFFFAOYSA-N 376.909 3.855 0 40 GHAB CCc1c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cnn1-c1ccc(C)cc1 23108636 YTDIEDDUWGBPER-JOCHJYFZSA-N 394.494 3.915 0 40 GHAB CCOc1ccc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)cc1 938171 RQHZAIFBXPNOCT-ZDUSSCGKSA-N 376.453 3.923 0 40 GHAB C[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 12391579 UGDHDHOGAXGOAZ-SJORKVTESA-N 387.487 3.795 0 40 GHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccc(Br)s1 23732286 DMPHCHFREYTAOP-UHFFFAOYSA-N 378.295 3.769 0 40 GHAB O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccc(-n2cccn2)nc1 24968900 DIMCHLUNEKFATO-UHFFFAOYSA-N 397.410 3.845 0 40 GHAB O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc(N2CCCC2=O)cc1 47917528 ITLVHTKSLKPDET-UHFFFAOYSA-N 385.414 3.944 0 40 GHAB COc1ccc(NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)c(OC)c1 57524206 QVDXSGYEIJVSEG-UHFFFAOYSA-N 390.802 3.638 0 40 GHAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccccc1 3290361 TZPRCJUJFYDQOI-UHFFFAOYSA-N 389.278 3.965 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)CSCc2c(C)noc2C)cc1 27026211 HWCJGGXEYSYYJD-UHFFFAOYSA-N 375.494 3.645 0 40 GHAB COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)c1C 58055397 OTPUDZMHRNRCND-SFHVURJKSA-N 398.503 3.977 0 40 GHAB O=S(=O)(Cc1ccc(-n2cccn2)cc1)c1nc(-c2ccccc2)cs1 58166961 DVSPEJQETGQJBW-UHFFFAOYSA-N 381.482 3.970 0 40 GHAB Cc1ccn2cc(CNC(=O)N3CCC(OCCc4ccccc4)CC3)nc2c1 58173898 VXTALNHMMJDRIY-UHFFFAOYSA-N 392.503 3.576 0 40 GHAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCN(C)c2ccc(Cl)cc21 78971655 NSOAORQPKSOKRY-HXUWFJFHSA-N 397.906 3.659 0 40 GHAB Cc1ccc(NC(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)c(C)c1 58369746 CNAISWTVAHFLPA-HNNXBMFYSA-N 382.382 3.884 0 40 GHAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)NC(=O)C1CCCCC1 3357587 DVUYWYVWJLVLDV-VQHVLOKHSA-N 384.259 3.773 0 40 GHAB NC(=O)c1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1 2363266 AGTZKZVMFDYAFJ-UHFFFAOYSA-N 384.395 3.755 0 40 GHAB COc1ccc([C@]2(C)NC(=O)N(Cc3csc(-c4ccccc4)n3)C2=O)cc1 3314416 PYMKTADINBYYHC-NRFANRHFSA-N 393.468 3.786 0 40 GHAB CCOc1ccccc1NC(=O)CC[C@H]1N=C(O)N([C@@H](C)c2ccccc2)C1=O 36593344 BXOBVZDAZVGVAV-MAUKXSAKSA-N 395.459 3.690 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)c1 2409408 HNGAJXFZRYFWCE-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB C[C@H](c1ccccc1)N(C)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12780425 JWPTUMVNNMGUKZ-OAHLLOKOSA-N 395.528 3.947 0 40 GHAB COc1cc(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)cc(OC)c1 12893591 VGUCJEYJISLLFT-UHFFFAOYSA-N 398.488 3.962 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)o2)cc1 3459069 QUSDZORFLSZOMV-UHFFFAOYSA-N 377.372 3.754 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(Cl)cc1Cl 3592897 NJDIMLGFDRVGAQ-UHFFFAOYSA-N 384.263 3.577 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)c3cc(F)ccc3Br)ccc21 12934797 ONQKVPMNXSIYLS-UHFFFAOYSA-N 377.213 3.750 0 40 GHAB Cc1csc(SCC(=O)Nc2ccccc2C(=O)NCc2ccco2)n1 8505598 BSHBDLBUGIUHGH-UHFFFAOYSA-N 387.486 3.705 0 40 GHAB C[C@]1(CCc2ccccc2)NC(=O)N(Cc2cccc(Br)c2)C1=O 4288869 VZDBZEGVJGJQCI-LJQANCHMSA-N 387.277 3.892 0 40 GHAB CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccccc1)N2 65298503 VCODDYPNMSQXAW-IBGZPJMESA-N 393.487 3.865 0 40 GHAB biogenic CC1(C)CC(=O)C2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)C1 5274410 RMRCGCWMACQJGR-NRFANRHFSA-N 388.511 3.883 0 40 GHAB CCOC(=O)N[C@H]1CCCN(C(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)C1 65565507 CXWWDQDSDTYLHN-HOTGVXAUSA-N 395.503 3.710 0 40 GHAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CC1)N1CCc2sccc2C1 14238910 DJRJRMYXBRSVEE-UHFFFAOYSA-N 375.877 3.561 0 40 GHAB Cc1ccc([C@](O)(CC(=O)N(C)Cc2nc3ccccc3s2)C(F)(F)F)o1 14241804 XZDDIYGWQIXYJS-QGZVFWFLSA-N 398.406 3.996 0 40 GHAB Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)NCc1ccccc1 8752654 OETKBCIPRMPQIG-UHFFFAOYSA-N 395.509 3.811 0 40 GHAB Cc1cccc(C)c1OCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 19604163 SVAVBPARKHBOKG-UHFFFAOYSA-N 397.500 3.767 0 40 GHAB Cc1nnc(SCc2nc3ccccc3c(=O)n2Cc2ccco2)n1C1CC1 8939335 MGRXUZSLIGYLFS-UHFFFAOYSA-N 393.472 3.565 0 40 GHAB O=C(CSCc1cc(Cl)c2c(c1)OCO2)Nc1ccc2c(c1)OCO2 8936504 RTSMXZFSZOHUBB-UHFFFAOYSA-N 379.821 3.669 0 40 GHAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(Br)cc1F 7297285 DOOSCXQPPZORAV-SECBINFHSA-N 395.257 3.750 0 40 GHAB Cc1ccc([C@@H](CNC(=O)N2CC[C@H](Nc3ccccc3)C2)N2CCCC2)o1 67640320 FUYZIJKJLRWBDX-VQTJNVASSA-N 382.508 3.621 0 40 GHAB Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H](C)c4ccco4)c(=O)c23)s1 7307535 PCZRLOPGBGVSGZ-LBPRGKRZSA-N 399.497 3.965 0 40 GHAB O=C(c1ccc(F)c(C(F)(F)F)c1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 68332509 NFLSUAYHZIHYDL-OLZOCXBDSA-N 377.403 3.971 0 40 GHAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccc(Oc2ccccc2)cc1 16461846 QLUUFWZRWNJOKD-UHFFFAOYSA-N 393.424 3.996 0 40 GHAB COCCNC1=NN=C(c2c(-c3ccccc3)n(C)c3ccccc23)CS1 8193423 BEUIKDITBRMKHJ-UHFFFAOYSA-N 378.501 3.888 0 40 GHAB O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1ccc(-c2ccccc2)cc1 8281819 AXQYCRWOQNFAOJ-OAQYLSRUSA-N 389.407 3.675 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 9376596 ZCKDWOAODAGQKZ-UHFFFAOYSA-N 398.484 3.798 0 40 GHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(F)cc1F 71844431 KXOGISQYECNAAB-XLIONFOSSA-N 386.442 3.879 0 40 GHAB Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)N4CCCCC4)C3)nn2)cc1C 72328363 DMJCTMJPXZTURN-FQEVSTJZSA-N 378.520 3.989 0 40 GHAB O=C1CC[C@@H](C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CN1 84339062 FKNATWDNPXQNKX-SNVBAGLBSA-N 384.288 3.505 0 40 GHAB O=C(NC1CC1)c1ccccc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 84498032 LTBQHJVCYUXHJT-UHFFFAOYSA-N 399.299 3.828 0 40 GHAB CC(C)Oc1ncc(C(=O)NCCc2nc3c(s2)CCCC3)cc1Cl 84621943 AAFLBZLNTFMLLD-UHFFFAOYSA-N 379.913 3.830 0 40 GHAB CCOCCCn1/c(=N/C(=O)C[C@@H]2OCCc3ccsc32)[nH]c2ccccc21 84801330 RDSNASJTQVJZPI-SFHVURJKSA-N 399.516 3.589 0 40 GHAB COc1cc(C)nc2ccc(-n3c[n+]([O-])c(C(=O)Nc4ccccc4)c3C)cc12 1547201200 ZTCZONWYPHLTFE-UHFFFAOYSA-N 388.427 3.537 0 40 GHAB Cc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccccc2)cc1C 409272467 YZHMSYCBLZWQNJ-UHFFFAOYSA-N 388.533 3.661 0 40 GHAB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)o2)cc1 409158561 YIGNWWKBFNALIQ-UHFFFAOYSA-N 384.461 3.898 0 40 GHAB COc1ccc(C2(C(=O)NCCn3ccc4cc(C)ccc43)CCOCC2)cc1 72401596 LIOVZMHAOAQCOM-UHFFFAOYSA-N 392.499 3.823 0 40 GHAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)cc1 72346094 PXCNNDIVQOMABN-QGZVFWFLSA-N 380.492 3.631 0 40 GHAB COc1cc(Cc2cc(-c3ccc(Cl)cc3)nnc2O)cc2c1OCCO2 79487310 NDOQFLZMKGBKDH-UHFFFAOYSA-N 384.819 3.873 0 40 GHAB O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)c1ccc2c(c1)OCO2 32609905 UWNHTEQMZOMAEX-UHFFFAOYSA-N 389.770 3.693 0 40 GHAB N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 72227324 PKKVKQNBXWEMAA-ZIAGYGMSSA-N 385.183 3.883 0 40 GHAB CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1CSc1ccccc1 224655131 FOYPCXMUCDZCQW-UHFFFAOYSA-N 398.528 3.715 0 40 GHAB COc1ccc(CNC(=O)CCc2ncc(-c3ccc(OC)cc3OC)o2)cc1 224865631 NBVKIOIGPXANPL-UHFFFAOYSA-N 396.443 3.616 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 223486056 GTWMJVDFOMDCNZ-KRWDZBQOSA-N 388.533 3.509 0 40 GHAB Cc1cccc(OCCNC(=O)c2ccccc2I)c1C 223902565 HLVJCZWOXCYZOP-UHFFFAOYSA-N 395.240 3.717 0 40 GHAB O=C(CC1(Cn2cnc3ccccc3c2=O)CCCCC1)Nc1ccccn1 40286652 PNRDUENLEOVONH-UHFFFAOYSA-N 376.460 3.771 0 40 GHAB CCCCCN(Cc1nnc2n(C)c(=O)c3sccc3n12)[C@H](C)CCC 48341114 HSGNSZZZKVZKIS-CQSZACIVSA-N 375.542 3.824 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F 222730589 OIEAAQVXDPHNFY-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 222914478 OIIFAQAYIBVZEG-IAGOWNOFSA-N 388.533 3.589 0 40 GHAB Cc1cc(C)cc(CSCC(=O)NCc2cccc(CN3CCOCC3)c2)c1 224706572 XAJSAJKMFGZAOU-UHFFFAOYSA-N 398.572 3.685 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220637051 SCZGHEOPOJJJCN-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(OC)cc2C)c(C)c1 223464582 XJGHBYUSIRSUAE-UHFFFAOYSA-N 377.462 3.598 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 222996865 WZSSXNRCQXCNRQ-NRFANRHFSA-N 382.504 3.544 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224175197 WWQBFKNDXFPOIZ-IBGZPJMESA-N 382.504 3.563 0 40 GHAB CCOC(=O)[C@@]1(C#N)[C@H]2C=C[C@@H](C2)[C@@H]1c1ccc(N(C)C)c(Br)c1 140410036 OQHUDYLMEXVWOW-VBZWBGKMSA-N 389.293 3.878 0 40 GHAB CSc1ccccc1C(=O)c1ccccc1CN1CCC2(CC1)OCCO2 85651552 LMMFPFMGPCUCNR-UHFFFAOYSA-N 383.513 3.978 0 40 GHAB COc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccc(F)c(F)c1)C2 96269417 VPSXOKVVHPDPQQ-HNNXBMFYSA-N 385.414 3.526 0 40 GHAB biogenic,in-vitro Cc1ccc2c(-c3cc4c(CN(C)CCO)cnc(C)c4o3)cc(=O)oc2c1C 96114531 HEBYAWDJYZVZEP-UHFFFAOYSA-N 392.455 3.951 0 40 GHAB biogenic O=C(CCn1ccc2ccc(Br)cc21)NCc1nc2ccccc2[nH]1 96345202 GXMZFTSFSLCFEQ-UHFFFAOYSA-N 397.276 3.987 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cc(Cl)cc(Cl)c1 242497206 BSURWHJBAPRZSO-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB CN1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1nccn1C 257289269 PXWJLFBITRHSSX-NABGWTBKSA-N 392.547 3.509 0 40 GHAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2ocnc2C)o1 257257931 KRRMMBGTMPBMAI-QGZVFWFLSA-N 381.432 3.938 0 40 GHAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ccccc3)CCO2)n1 257217431 CYWXAUSPOUXZEW-FQEVSTJZSA-N 377.444 3.821 0 40 GHAB CCCN1CCN(C(=O)C2CCC2)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 257320232 VVWHMRJWXODOLP-QFIPXVFZSA-N 391.515 3.541 0 40 GHAB CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCN(Cc3cccc(C)c3)C2)nc1C 257266576 MDPHYOBVGPQBTL-OAQYLSRUSA-N 394.563 3.802 0 40 GHAB O=C(c1ncccc1O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257243463 IHBSBAJMEJBKCP-HNNXBMFYSA-N 381.407 3.525 0 40 GHAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1cccc(O)n1 618238189 STMZWMGREWLEPJ-GOSISDBHSA-N 380.366 3.923 0 40 GHAB CC(C)c1ccc(-n2ccnc2SCc2nc(Cc3cncn3C)no2)cc1 545134345 QQWIKQPTKFJQJC-UHFFFAOYSA-N 394.504 3.995 0 40 GHAB O=C(c1ccc(Cl)cc1)n1nc(-c2cccnc2)nc1NCc1ccco1 5002114 WEVGMCMRBLIWAP-UHFFFAOYSA-N 379.807 3.887 0 40 GHAB Nn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccco1 5335471 AORDKBKSUDNQMM-UHFFFAOYSA-N 391.456 3.650 0 40 GHAB COc1ccc2cc(C(=O)NCCc3cnn(-c4ccccc4)c3)c(C)nc2c1 11167777 UCFQEKFSDZAHRG-UHFFFAOYSA-N 386.455 3.710 0 40 GHAB COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 12329907 ZLQGCNQIYZJAPZ-VXKWHMMOSA-N 397.515 3.696 0 40 GHAB Cc1cc(OCC(=O)c2ccccc2)ccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 13856551 BAZQIEZAPXIYPD-NEAWWFDSSA-N 389.451 3.792 0 40 GHAB O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19406689 MEQXKUFFDTYKIN-UHFFFAOYSA-N 386.521 3.720 0 40 GHAB Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)C2CCCC2)c1C 19558353 JDVGDEQROVNHDW-QGZVFWFLSA-N 383.496 3.668 0 40 GHAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cc(Br)cs1 206713129 RKTOCIABGRQLAU-LLVKDONJSA-N 394.212 3.993 0 40 GHAB COc1cc(C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)on1 618238376 XQIVUKIZSRVLRB-QGZVFWFLSA-N 384.354 3.819 0 40 GHAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@](O)(c2ccc(F)cc2)CC1 19332932 HONBKJKKGXVSTJ-FPOVZHCZSA-N 389.854 3.683 0 40 GHAB FC(F)c1cc(N2CCN(c3cc(C4CCC4)ncn3)CC2)nc(C2CC2)n1 1888876235 RZOBPJGYLPZOMB-UHFFFAOYSA-N 386.450 3.676 0 40 GHAB CC(C)Oc1ccccc1CN1CCC2(CC1)CC(=O)NCc1ccccc1N2 2037978396 UTPGCXFPIPGIDU-UHFFFAOYSA-N 393.531 3.940 0 40 GHAB Cc1ncc(CN2CC[C@H]3NC(=O)COc4ccccc4CCCC[C@H]3C2)s1 2037989131 WRSQEJMUNOUSBC-AZUAARDMSA-N 399.560 3.564 0 40 GHAB COC(=O)[C@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1 2720886 PYRNJIQWJHMWGR-NSHDSACASA-N 397.431 3.660 0 40 GHAB Cc1ncnc(N(C)CC2CCN(c3nc(C(F)(F)F)cs3)CC2)c1F 2086861360 GXXYHHYDCZHLCZ-UHFFFAOYSA-N 389.422 3.752 0 40 GHAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCc2ccccc2C1 38500865 VIDPUDSAPISYLE-UHFFFAOYSA-N 379.435 3.999 0 40 GHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Oc4ccccc4OC)ccc1c23 11691596 NPRWFPIAWIVTLX-UHFFFAOYSA-N 383.425 3.596 0 40 GHAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2ccc(=O)oc2c1 2148991 PXANJEAGCYGCSY-HNNXBMFYSA-N 375.421 3.638 0 40 GHAB biogenic O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(Cn2ccnc2)cc1 40111906 UYPCKUDWKSVGOK-UHFFFAOYSA-N 389.377 3.803 0 40 GHAB COc1ccc(OC)c(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)c1 101014966 OOVUQSIFIRAAFK-OAHLLOKOSA-N 376.250 3.769 0 40 GHAB COc1cccc(-c2cnc(NCc3cc(OC)c(OC)c(OC)c3)n2C)c1 819121 ARPOVEDOXWFPEC-UHFFFAOYSA-N 383.448 3.734 0 40 GHAB Nc1nc(CSc2nnc([C@H](O)c3ccccc3)n2-c2ccccc2)cs1 1099701 UQNBLUAJZIUIGM-MRXNPFEDSA-N 395.513 3.680 0 40 GHAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)C(F)(F)F)cc2c1 1359569 NPBYYPMMUDTBJD-UHFFFAOYSA-N 378.350 3.829 0 40 GHAB Cc1ccc(-c2noc(COc3ccccc3C(=O)NC[C@H]3CCCO3)n2)cc1 32579113 BVHHNWGOPOVJIU-QGZVFWFLSA-N 393.443 3.533 0 40 GHAB CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O 4231004 KXWQZVWFQNIBNT-UHFFFAOYSA-N 392.455 3.812 0 40 GHAB Cc1ccc2cc(CN(CCN(C)C)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 4231312 ARHLQVRIRISOGW-UHFFFAOYSA-N 396.466 3.571 0 40 GHAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 4288521 YMJJHAIXFNYAGL-HKJGYYKBSA-N 394.515 3.715 0 40 GHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc(Br)c(Cl)c1 102093485 DDYBJACGNHZLCX-MVGTYIKUSA-N 396.668 3.810 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 6314545 CUARYQUGMYDMDN-SNVBAGLBSA-N 387.288 3.991 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1 6830942 CZBPNGIDSODQPW-UHFFFAOYSA-N 388.467 3.770 0 40 GHAB CCCCOc1ccc(-c2nonc2NC(=O)[C@H]2COc3ccccc3O2)cc1 11914152 VPBGHDOCGKTAJV-GOSISDBHSA-N 395.415 3.694 0 40 GHAB O=C1OC(c2ccccc2OC(F)F)=N/C1=C\c1c(Cl)nc2ccccn12 58162786 UGAPZTPIMPBKSB-LUAWRHEFSA-N 389.745 3.934 0 40 GHAB O=C(NCc1ccccc1OC(F)F)[C@@H]1CCCCN1C(=O)c1cccs1 32908439 CTIBPNSCQOJXSB-AWEZNQCLSA-N 394.443 3.661 0 40 GHAB COC(=O)C1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 52894390 NYWVVQVFLYECBH-UHFFFAOYSA-N 376.456 3.715 0 40 GHAB CC(C)NC(=O)CSc1ccccc1C(=O)NC[C@H](C)N(C)c1ccccc1 46949907 KGFBVOKXSPRQDG-KRWDZBQOSA-N 399.560 3.558 0 40 GHAB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3cccc(Cl)c3)cc21 9561459 UYBYKNNQZHOALC-UHFFFAOYSA-N 398.894 3.773 0 40 GHAB COc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC2=O)cc1 635621 BUEFOBUTDKXVBS-LLVKDONJSA-N 379.243 3.994 0 40 GHAB COc1ccc([C@H](CNc2ncnc3sc(C)c(C)c23)N2CCOCC2)cc1 22344298 VXYZWOIZFQZJMB-SFHVURJKSA-N 398.532 3.802 0 40 GHAB Cc1[nH]c2c(C)ccc(F)c2c1CCNC(=O)COc1ccc(F)cc1F 719852 UBGOUNBNUUWXKN-UHFFFAOYSA-N 376.378 3.940 0 40 GHAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1cc(Cl)ccc1F 22773585 RPEXYHUEJNPERG-QPJJXVBHSA-N 387.886 3.749 0 40 GHAB CC(C)c1noc2ncc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)cc12 22989000 HFBIJQMBNRTIOG-STQMWFEESA-N 399.422 3.908 0 40 GHAB COc1ncccc1NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 47553705 PJFHGEWNPZTUSJ-ZDUSSCGKSA-N 397.378 3.551 0 40 GHAB CCOC(=O)c1c(/C=C/C(=O)Nc2nnc(C(C)C)s2)c(C)n(CC)c1C 24706558 RAGNIUFEOHCQPU-MDZDMXLPSA-N 390.509 3.928 0 40 GHAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1 20508574 VGDSXUDTNUCUGP-AWNIVKPZSA-N 378.453 3.965 0 40 GHAB CCN(C(=O)COc1ccc(CC(=O)OC)cc1)c1cccc2ccccc12 24993257 NAFHVQHUJZMUIH-UHFFFAOYSA-N 377.440 3.987 0 40 GHAB Cc1nc2ccccc2n1CCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 12547752 UAYAXOQFRVZWMB-UHFFFAOYSA-N 380.492 3.529 0 40 GHAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 23296640 XFJSWEFRHRUXFA-KXBFYZLASA-N 396.516 3.566 0 40 GHAB C[C@H](NC(=O)c1cc(Br)ccc1I)C1CC1 25771211 CVFVESOBJSVSPG-ZETCQYMHSA-N 394.050 3.582 0 40 GHAB C[C@@H](C(=O)OC1CCCCC1)n1nnc2sc(-c3ccccc3)cc2c1=O 1785072 ZDCPVKQQQRRIMT-ZDUSSCGKSA-N 383.473 3.957 0 40 GHAB CC[C@H](C)N1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2C1=O 1962529 SIRMPTAPBADANO-UONOGXRCSA-N 379.412 3.509 0 40 GHAB CCSc1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 20492201 WOBJXHCPTLDVOV-UHFFFAOYSA-N 398.937 3.857 0 40 GHAB COc1cc(CNC(=O)Cc2ccc(F)cc2)ccc1OCc1cccnc1 27173941 WJFLVXRFQQBCDC-UHFFFAOYSA-N 380.419 3.667 0 40 GHAB COCCOc1ccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c(C)c1 57991367 WFBKFHGJOYABKW-UHFFFAOYSA-N 385.464 3.802 0 40 GHAB O=C(NCCc1ccc2c(c1)OCCO2)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 10053608 IUPDAQUTNGJXRP-SJORKVTESA-N 391.389 3.939 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1cccc2cccnc12 28226852 ILKGQXBNSNTYOC-UHFFFAOYSA-N 392.484 3.516 0 40 GHAB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)C(C)C 2100950 UYIWNHZGRKVYEM-SFQUDFHCSA-N 379.412 3.991 0 40 GHAB Nn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(F)cc1 2264075 RPQNZKYBJZRXIB-UHFFFAOYSA-N 393.447 3.682 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(NCc2ccccc2)s1 3361345 FXMULBLGDYLHPF-DZGCQCFKSA-N 376.551 3.937 0 40 GHAB Cc1ccc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c(C)c1 12767722 UZFUOKAGBSJUPK-ZHACJKMWSA-N 376.500 3.872 0 40 GHAB COc1cc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc(OC)c1 12819757 NPASTQNPCJAJEA-UHFFFAOYSA-N 398.488 3.962 0 40 GHAB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 12860512 ZMNBFMUIUOPOFC-HNNXBMFYSA-N 398.890 3.580 0 40 GHAB CC(=O)c1cccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c1 3411454 RTKBJMJYTYYIGF-UHFFFAOYSA-N 380.473 3.568 0 40 GHAB CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccccc1OC 3401227 JSRJBTSFLJDUMY-UHFFFAOYSA-N 396.516 3.691 0 40 GHAB O=C(CCCNC(=O)c1ccco1)Nc1ccc(Br)cc1Cl 12907114 VGHTYWPUEDKHQH-UHFFFAOYSA-N 385.645 3.844 0 40 GHAB COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1OC 12976308 SLAIIBVYLZOFDT-UHFFFAOYSA-N 399.871 3.850 0 40 GHAB CN(C)[C@H](CNC(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccccc1 12935335 WOBRUFSMZIFNFI-HXUWFJFHSA-N 382.895 3.618 0 40 GHAB CC[C@H](C)N1CCC(=O)N(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 13020345 IFJIVYUYNKVZEJ-FXAWDEMLSA-N 396.487 3.546 0 40 GHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccccc1OC(F)F 4286454 HIWSTJRIXOIGAP-UHFFFAOYSA-N 388.370 3.884 0 40 GHAB Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=O)CC(C)(C)C2 5246159 ZTUZUWOYKCMNKB-UHFFFAOYSA-N 384.451 3.845 0 40 GHAB Cc1ccnc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 6334792 RBRSLSDXXMOOCE-UHFFFAOYSA-N 380.439 3.928 0 40 GHAB Cc1cc(C)nc(NC(=O)c2cccc(CN(C)[C@H](C)c3ccncn3)c2)c1 65459197 XVGDIYKUDFKPRS-QGZVFWFLSA-N 375.476 3.934 0 40 GHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1ccc(-n2ccnc2)nc1 65492998 YRZBKCUNQATIRB-KRWDZBQOSA-N 379.464 3.682 0 40 GHAB COc1ccc(OC)c(CN(C2CC2)S(=O)(=O)c2ccc(C)cc2C)c1 28055999 ORXWFXKWSUKUID-UHFFFAOYSA-N 375.490 3.674 0 40 GHAB COc1cc(OC)c(N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1Cl 6638017 CLKLFRVLQUURCP-JTQLQIEISA-N 378.812 3.525 0 40 GHAB Cc1c(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)oc2ccccc12 8880460 SAZPREWVYPVAKJ-OAQYLSRUSA-N 394.452 3.769 0 40 GHAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2Br)cc1C 67197840 TYCKUQVHFKAIMO-UHFFFAOYSA-N 376.250 3.539 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)NC2CCC(C)CC2)nc2cc(C)[nH]c2c1=O 67239294 FRELBIMCXOYTLB-HNFVBEJKSA-N 390.553 3.791 0 40 GHAB COc1cccc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1 7109553 QCBHHDZXQVMHOH-UHFFFAOYSA-N 375.475 3.934 0 40 GHAB COc1ccc(C2(CNC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)CCCCC2)cc1 67873275 AFEXURRCCHBEMT-LJQANCHMSA-N 398.547 3.662 0 40 GHAB Cc1[nH]c(C(=O)OCc2nc(-c3cccs3)no2)c(C)c1C(=O)OC(C)C 7413779 YXFRUYRXVNGTMG-UHFFFAOYSA-N 389.433 3.665 0 40 GHAB Cc1cccc(-n2nnnc2S[C@H](C(=O)N2CCCC2)c2ccccc2)c1C 7686497 DSHXDTUSEPEAPM-IBGZPJMESA-N 393.516 3.735 0 40 GHAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3s2)c1 7767821 SRPBZHYJSVVQNL-UHFFFAOYSA-N 389.502 3.578 0 40 GHAB Cc1cccn2c(=O)cc(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)nc12 7989126 YVPNBDBEUQKYQG-LJQANCHMSA-N 391.471 3.501 0 40 GHAB CC(C)c1ccc(/C=C/C(=O)OCC(=O)NC(=O)Nc2ccccc2F)cc1 7985085 LNOWNZNIVLTWGR-FMIVXFBMSA-N 384.407 3.854 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 7988773 JNYXSTWCDRZPDH-NRFANRHFSA-N 379.481 3.804 0 40 GHAB C[C@H](NC(=O)CN1C(=O)CC2(CCCCC2)C1=O)c1ccc2ccccc2c1 8187932 SLYLGNGOLIULQY-INIZCTEOSA-N 378.472 3.726 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)NCCC2=CCCCC2)cc1OCC 72330895 XAVGJGRGHSAKQO-UHFFFAOYSA-N 389.492 3.576 0 40 GHAB COc1ccc(NC(=O)C[C@H](C)NC[C@H](c2cccs2)N2CCCC2)cc1 23249368 CEGXHAUTNCZCFV-QFBILLFUSA-N 387.549 3.901 0 40 GHAB COCCCN(C)C(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 95446416 SCHGTMDMXVCFJX-UHFFFAOYSA-N 395.301 3.752 0 40 GHAB CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C(F)(F)F)cn1 79108420 BZYWXKJAMFXNGY-LBPRGKRZSA-N 376.425 3.860 0 40 GHAB CN(C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)C1CCCCC1 30755529 GBPUPJPCQYEGCA-UHFFFAOYSA-N 393.336 3.551 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)NCc2ccccc2)nc2ccsc2c1=O 67335202 MRKLPHRIVBGIQF-CYBMUJFWSA-N 387.530 3.838 0 40 GHAB O=C1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)c2ccccc2N1 506660799 LDNRIUZQXCKWJA-UHFFFAOYSA-N 378.453 3.891 0 40 GHAB O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1c[nH]c2ncccc12 516250548 JGLRPGXNNHQDGO-ZDUSSCGKSA-N 399.292 3.582 0 40 GHAB CN1CCN(C(=O)CCCc2nc(-c3ccccc3)no2)[C@H](c2ccccc2)C1 30030361 XXTCXOZYIJIQKK-FQEVSTJZSA-N 390.487 3.575 0 40 GHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)Cc2ccccc2N2CCOCC2)o1 32215680 BVJUWXVQFWSNGP-TWWASOPWSA-N 380.488 3.911 0 40 GHAB Cc1ccc(NC(=O)[C@H]2[C@H](C)Nc3ncnn3[C@@H]2c2ccccc2F)c(C)c1 36701639 QXTCRIZODONMLD-ZOCIIQOWSA-N 379.439 3.692 0 40 GHAB CCN(CC)C(=O)CN1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72348764 ZZVZVEMVEHQRJS-IBGZPJMESA-N 383.511 3.859 0 40 GHAB CC(C)Oc1ccc(CCCNC(=O)c2cccc(CN3CCOCC3)c2)cc1 216359225 IGWMJOGIMJLZJC-UHFFFAOYSA-N 396.531 3.669 0 40 GHAB COc1cccc(CN2CCCC[C@@H]2c2nnc(-c3ccccn3)o2)c1OC 72344716 PPAKQXWNTJMLIV-QGZVFWFLSA-N 380.448 3.876 0 40 GHAB O=C(NCC(c1ccco1)c1ccco1)C(=O)Nc1ccccc1C(F)(F)F 675007763 OKPBGEOZCIHUDB-UHFFFAOYSA-N 392.333 3.778 0 40 GHAB COc1ccc2c(CN3CCC[C@@H]([C@H](NC(C)=O)c4nccs4)C3)c[nH]c2c1 72337756 HCLQHOFIPIWWFT-QRWLVFNGSA-N 398.532 3.722 0 40 GHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)cc1 210813026 NUMKSBLNFANOFE-HYZSBJHASA-N 394.452 3.926 0 40 GHAB CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 71280892 IXYSNJPFISXRPY-ABSDTBQOSA-N 384.520 3.633 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)NCc1cccc(CN2CCCC2)c1 224615397 XOCRGXXFSOMDCU-UHFFFAOYSA-N 378.925 3.555 0 40 GHAB CC(C)CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224429586 IQSJIXQPNYZLSU-UHFFFAOYSA-N 394.924 3.547 0 40 GHAB CO[C@@H]1CCN(c2ccc(C(=O)NCc3cccnc3-c3ccsc3)cc2)C1 225647622 WOJZWCXKMVXQFP-HXUWFJFHSA-N 393.512 3.965 0 40 GHAB Cc1ccc(C(=O)NCCOc2ccccc2C)c(I)c1 225029712 LUYHZDSUJYCOMR-UHFFFAOYSA-N 395.240 3.717 0 40 GHAB COc1ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC(C)C)ccc2c1 225710048 NEVXDXPZEBOTOI-UHFFFAOYSA-N 398.484 3.787 0 40 GHAB COc1nn(C)c2nc(C)c(CCC(=O)NC34CC5CC(CC(C5)C3)C4)c(C)c12 40074761 ROWGFHKOZZOSSL-UHFFFAOYSA-N 396.535 3.611 0 40 GHAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1 223609937 IKBMNABZTYXZRE-LEWJYISDSA-N 392.528 3.536 0 40 GHAB COc1ccc(C[C@](C)(O)CNC(=O)NCc2cccc3ccccc23)cc1 77184902 BTBVRLXNNPLHON-QHCPKHFHSA-N 378.472 3.641 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 224179039 GBYKNYVJNKYTSN-NRFANRHFSA-N 396.531 3.934 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)cc2)n1 225071362 JIAKYLIJDMGVPA-UHFFFAOYSA-N 392.484 3.714 0 40 GHAB Cc1nccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N[C@H]3Cc2ccccc2)n1 257321732 WCZROTXITIRNPH-QMDPOKHVSA-N 390.531 3.532 0 40 GHAB OC[C@H](c1ccc(Cl)cc1)N1CCN(c2cnc(-c3ccccc3)cn2)CC1 644118215 ZWQLFRBXRWWONB-OAQYLSRUSA-N 394.906 3.653 0 40 GHAB CON1CCC(CC(=O)N(Cc2cccs2)C2Cc3ccccc3C2)CC1 614591927 KDSRUAAGELISPK-UHFFFAOYSA-N 384.545 3.908 0 40 GHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O 7071050 RHOVYLIDNYFEPU-SEEODLKFSA-N 398.278 3.827 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c1 5626040 NNAOTIVEHHYXOE-UHFFFAOYSA-N 379.460 3.908 0 40 GHAB Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2c(Cl)cnn2C)cc1C 12145630 ILBNVIGRQLWNGG-QGZVFWFLSA-N 383.883 3.683 0 40 GHAB O=C(NCCNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 12391532 VPXUGUMUEBFNGT-UHFFFAOYSA-N 376.243 3.635 0 40 GHAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc(OC(F)F)cc3)ccc21 12561991 SVBUGAQCYIGDRZ-GFCCVEGCSA-N 389.402 3.636 0 40 GHAB CCCCn1c(S[C@H](C)C(=O)NCCC)nc2sc(C)c(C)c2c1=O 12765071 DFOFTVBXWBQJQI-CYBMUJFWSA-N 381.567 3.882 0 40 GHAB Cc1cc(OC(=O)COc2ccc(Cl)cc2)n(-c2nc3ccccc3[nH]2)n1 13639527 LGKHWSIYDGRLSN-UHFFFAOYSA-N 382.807 3.695 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 14225837 COZMDWYRIOINOC-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB O=c1cc(-c2ccccc2Cl)nc(N2CCN(c3ccccc3F)CC2)[nH]1 14608507 HBLJZQNLLPMGMH-UHFFFAOYSA-N 384.842 3.556 0 40 GHAB CCc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1 15951985 YMYNHUKHBYJTFO-UHFFFAOYSA-N 380.488 3.791 0 40 GHAB COc1ccc(CN(Cc2coc3ccc(C)cc3c2=O)C[C@H](C)O)cc1OC 19219788 QDIRJODIXDUWMQ-INIZCTEOSA-N 397.471 3.502 0 40 GHAB CN(C)c1nccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)CC2CCCCC2)n1 19585800 WIFKRSBJLRSNCO-SFHVURJKSA-N 382.512 3.567 0 40 GHAB Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 165725064 MKJZNIUEYGAASH-SNHGZMDHSA-N 386.451 3.867 0 40 GHAB CCc1ccc(OCC(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc1 226312982 VRJLDDDXTNMYHF-UHFFFAOYSA-N 376.869 3.815 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3N3CCCC3)CC2=O)cc1 15356766 OOZPLTZMGDUHTJ-QGZVFWFLSA-N 393.487 3.677 0 40 GHAB CCc1ccc([C@H](NC(=O)CCn2cnc3sccc3c2=O)C(C)C)cc1 21448786 WOPGMSCTGOFGNU-LJQANCHMSA-N 383.517 3.924 0 40 GHAB COC(=O)c1ccc(COc2ccccc2[C@H]2NC(=O)c3ccccc3N2)cc1 28910787 YXFDCOZPDFKODR-OAQYLSRUSA-N 388.423 3.906 0 40 GHAB CCOCc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 30179667 AXLQRSBOCXCCHK-KRWDZBQOSA-N 386.879 3.546 0 40 GHAB O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1Cl 22932632 PPRLHVPPVYVBKU-UHFFFAOYSA-N 375.875 3.626 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2ccc(I)cn2)cc1 408622632 PWAVHLCYOQJHGU-UHFFFAOYSA-N 382.201 3.726 0 40 GHAB Cc1ccc(NC(=O)Nc2nnc(SCC(=O)NC3CCCC3)s2)cc1 4851224 UEEWFDMVLZJNKP-UHFFFAOYSA-N 391.522 3.641 0 40 GHAB COc1ccc(-c2nc3c(C(=O)O)cc(-c4ccc(O)c(OC)c4)nc3[nH]2)cc1 11694748 CECHCMVLTWHIII-UHFFFAOYSA-N 391.383 3.713 0 40 GHAB CNC(=O)Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 13716849 OTLKZTHLZAWDTJ-UHFFFAOYSA-N 383.835 3.844 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(-c2ccc(S(C)(=O)=O)nn2)cc1)c1ccccc1 17269273 MHSJTPCGWGBZQD-GOSISDBHSA-N 395.484 3.679 0 40 GHAB Cc1cc(C)cc(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1 23211989 PRUPXUHFMZLLLT-FQEVSTJZSA-N 388.939 3.827 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575612199 JCMBCCOSVCNQSD-GOSISDBHSA-N 382.851 3.604 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)c2nccn2Cc2ccccc2)cc1 40134968 HZMQGTMYYDZIAE-JLHYYAGUSA-N 375.428 3.760 0 40 GHAB CN(Cc1cccs1)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 31347895 WMEFREDOGXOOMT-UHFFFAOYSA-N 390.464 3.817 0 40 GHAB O=C(O)C[C@@H]1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 8391836 PIDZXRXAOSMZRQ-LBPRGKRZSA-N 390.877 3.861 0 40 GHAB in-vitro COC(=O)c1cc(Oc2nc(C)nc3sc4c(c23)CCC4)cc(C(=O)OC)c1 948468 NFYRHNZKYPUHIL-UHFFFAOYSA-N 398.440 3.854 0 40 GHAB COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCCc2ccccc21 1333225 DVJCXKBTBXXIKT-HXUWFJFHSA-N 377.492 3.979 0 40 GHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nccs2)C12CCCCC2 20717201 REDCZMLFEPNOEE-KRWDZBQOSA-N 399.516 3.671 0 40 GHAB CC(C)c1ccc(-c2csc(NC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)O)n2)cc1 4180045 QGYBQIBQXQSKFO-TWMKSMIVSA-N 386.473 3.750 0 40 GHAB Cc1cc(C(=O)NCC(=O)Nc2ccccc2Br)c2ccccc2n1 8315184 ZSTUQYSXNHYTAG-UHFFFAOYSA-N 398.260 3.674 0 40 GHAB Cc1ccc2[nH]c(SCC(=O)c3cc4c5c(c3)CC(=O)N5CCC4)nc2c1 6607989 SDCROENIYPSGPT-UHFFFAOYSA-N 377.469 3.682 0 40 GHAB CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nnc1-c1ccccc1 7735269 WXCFGKNJLSDXRX-UHFFFAOYSA-N 377.473 3.574 0 40 GHAB COc1ccc(Cl)cc1CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C 32768543 RVKFEFUIAKPYHO-UHFFFAOYSA-N 399.878 3.565 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1c2c(nn1-c1ccccc1)CCC2)c1cccs1 21495777 YYXGIWCJBUVWAD-GOSISDBHSA-N 394.500 3.629 0 40 GHAB C[C@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccc(F)cc2)oc1=O 32855701 WSUCOXZDUCYDRW-GFCCVEGCSA-N 384.436 3.903 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 8216845 KPMISGIYXJHUKD-KRWDZBQOSA-N 380.444 3.553 0 40 GHAB C[C@@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1cccc2ncccc12 21641777 WJKYRUPEOBOBGB-CYBMUJFWSA-N 396.520 3.707 0 40 GHAB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccco3)[C@H]2C(=O)N1c1ccccc1 100563670 CWZHOIMVEOWUSX-QRVBRYPASA-N 394.814 3.984 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)c(C)c1 2796294 VEJUJUYMLODCOY-LLVKDONJSA-N 380.286 3.854 0 40 GHAB COc1cc(Br)cc2cc(C(=O)N(C)C3CCCCC3)c(=O)oc12 644552 JGPAELHJWCOECJ-UHFFFAOYSA-N 394.265 3.969 0 40 GHAB O=S(=O)(Nc1nnc(CCc2ccccc2)s1)c1ccc(Cl)cc1 28250727 RFUMJABJDUYCRU-UHFFFAOYSA-N 379.894 3.778 0 40 GHAB COc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10314924 ZDGFMNLWCFQEJJ-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB CCOC(=O)C1=C(N)Oc2ccc3ccc(O)cc3c2[C@@H]1c1ccc(F)cc1 692230 OYIOAABPCKBXJT-SFHVURJKSA-N 379.387 3.942 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1COc1cccc(S(C)(=O)=O)c1 47363989 UYPURCYSIVXDGY-UHFFFAOYSA-N 376.865 3.817 0 40 GHAB COC(=O)C1(C)[C@@H]2C3C4[C@@H]1[C@H]1CCC[C@@H]1[C@@H]4C(C)(C(=O)OC)[C@H]3[C@H]1CCC[C@@H]12 104294637 VLVOBUAZWXZPNE-HMOSHQQJSA-N 386.532 3.929 0 40 GHAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cccc(N2CCCCC2=O)c1 24942510 IYSAPLDKERZJQK-UHFFFAOYSA-N 389.455 3.659 0 40 GHAB COCC(=O)N(Cc1ccco1)C1(C(=O)Nc2c(C)cccc2C)CCCC1 974763 VTAIAKJIMSUWFQ-UHFFFAOYSA-N 384.476 3.823 0 40 GHAB O=C1C(=O)N(CN2CCc3sccc3[C@H]2c2cccs2)c2ccccc21 23855508 WFUDLTYEPHPIMJ-SFHVURJKSA-N 380.494 3.944 0 40 GHAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)Nc1ccc(Cl)cc1Cl 61721885 IFURSWFQAXDPSH-UHFFFAOYSA-N 392.217 3.995 0 40 GHAB COc1ccc(C(=O)CCC(=O)N(C)Cc2nc3ccccc3s2)cc1OC 24073484 ONFGWJAHDPCZDD-UHFFFAOYSA-N 398.484 3.935 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)Nc1cccc(-c2csc(C)n2)c1 12541717 GLHDXWDVAKIHCK-UHFFFAOYSA-N 394.499 3.767 0 40 GHAB COc1ccc2oc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(C)c2c1 25701859 HWYWBVAULWARKB-UHFFFAOYSA-N 386.492 3.515 0 40 GHAB COC(=O)c1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1Cl 44330190 MZLGELDXMWUEBR-UHFFFAOYSA-N 378.208 3.720 0 40 GHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 113970911 YFDRRCKZCLEUIG-IBGZPJMESA-N 393.487 3.897 0 40 GHAB CC(C)c1ccccc1N(CC(=O)N1CCCc2ccccc21)S(C)(=O)=O 22396189 HYTOHUIHZHIILY-UHFFFAOYSA-N 386.517 3.555 0 40 GHAB CCOc1cc(/C=C/C(=O)NC(C)(C)c2ccc3c(c2)OCCO3)ccc1OC 62581257 YYHZXQCSMWPOSA-YRNVUSSQSA-N 397.471 3.930 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1 10289927 RYWUGDUUPOGUEB-SFHVURJKSA-N 389.473 3.810 0 40 GHAB CC(C)n1ccc2c1CN(C(=O)c1ccncc1)Cc1cn(CC3CC3)nc1-2 306123571 AQNKYHZGZNBCIO-UHFFFAOYSA-N 375.476 3.894 0 40 GHAB CS(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)c1 12893325 JZEOQXZHVAEBBY-UHFFFAOYSA-N 390.461 3.534 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 12894946 ATIGBYGVPOXWNK-GJZGRUSLSA-N 398.956 3.633 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)COC(=O)/C=C/c1cccc2cccnc12 12824227 CIGGBDYRTVSXPX-CJTWTEFWSA-N 390.439 3.677 0 40 GHAB CCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nnc1-c1ccccc1OC 3401382 HHCJQPJVAHNSAG-HUUCEWRRSA-N 388.537 3.570 0 40 GHAB Cc1cccn2cc(-c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)c3)nc12 13211517 LCRUWXINYHDESZ-IYBDPMFKSA-N 383.517 3.976 0 40 GHAB CCCCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 13736340 NJFAGPCQYFHWTO-ZIAGYGMSSA-N 393.361 3.868 0 40 GHAB C[C@H](NC(=O)COc1ccc(Cl)cc1C(N)=O)C12CC3CC(CC(C3)C1)C2 6127865 FNQHQVACVWJAJK-PXRHCINRSA-N 390.911 3.539 0 40 GHAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 4308632 FJKDELKFVAVGJL-GOSISDBHSA-N 380.778 3.909 0 40 GHAB Cc1ccc(NC(=S)Nc2cccc(C)c2C)cc1S(=O)(=O)N(C)C 6334042 VZJNCAHKWWSMNG-UHFFFAOYSA-N 377.535 3.671 0 40 GHAB O=C1[C@H]2N=NN(Cc3ccc(F)cc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 4483412 DMAODUWHGHUAPL-LSDHHAIUSA-N 393.205 3.626 0 40 GHAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 5326722 BCJLKRJTYUHUOK-GKSGUAPZSA-N 394.537 3.810 0 40 GHAB Cc1cccc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)c1 6478889 LIPJVLBVPCAAEI-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB Cc1ccsc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 6413407 GCQSCXOYAIGINR-GXDHUFHOSA-N 390.461 3.662 0 40 GHAB COc1cc(C(=O)Nc2ccnn2Cc2cccs2)ccc1OC(F)F 8774634 LACRMOZLNMEIBD-UHFFFAOYSA-N 379.388 3.855 0 40 GHAB COc1cc(C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 6583250 AOCPBJBGYKFGJG-QGZVFWFLSA-N 375.852 3.836 0 40 GHAB COc1ccc([C@@H]2CC(c3ccco3)=NN2S(=O)(=O)c2ccccc2)cc1 6590561 MWGAUJOUGYLKHT-IBGZPJMESA-N 382.441 3.828 0 40 GHAB Cc1cc(C)cc(OCCNC(=O)c2ccc(I)cc2)c1 22480097 SIGMDNZFMKUDQK-UHFFFAOYSA-N 395.240 3.717 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc1OCC 4846104 NJZZBZWVBVNMPO-UHFFFAOYSA-N 375.396 3.727 0 40 GHAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C(C)=O)CC2)c1 4981758 YBEFORYZVBUCAO-NRFANRHFSA-N 391.471 3.577 0 40 GHAB CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1ccccc1C 8856640 KBOVAGYOCVGYFW-XOBRGWDASA-N 394.475 3.517 0 40 GHAB NC(=O)N[C@H](CC(=O)OCCSc1ccccc1F)c1ccc(Cl)cc1 7510979 GEWUZWNLEWGYBW-OAHLLOKOSA-N 396.871 3.914 0 40 GHAB Cc1cccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(Cl)cc2)c1 9237497 NKZDJPLQNPUNCC-IRXDYDNUSA-N 399.907 3.946 0 40 GHAB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1occc1-c1ccccc1 16537979 DPJACDCUJLVSJS-FQEVSTJZSA-N 391.423 3.704 0 40 GHAB COc1cc2cc(C(=O)N3CCc4c([nH]c5ccccc45)C3)n(C)c2cc1OC 96115274 MVGWKBXWYQZPOC-UHFFFAOYSA-N 389.455 3.875 0 40 GHAB biogenic COC(=O)[C@H]1c2ccccc2CCN1C(=O)CSCc1ccc(Cl)cc1 95404787 QYZSRCIHKWHMOH-LJQANCHMSA-N 389.904 3.872 0 40 GHAB COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccccc3)C2)c1 95532092 FTDBMULPGXAGKR-FQEVSTJZSA-N 396.443 3.636 0 40 GHAB CC(C)COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 408648480 WMMUSVRLWFIJRS-INIZCTEOSA-N 398.434 3.630 0 40 GHAB Cc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCCCCC1 408560361 YXZUVMWDIJEAHC-UHFFFAOYSA-N 378.538 3.622 0 40 GHAB CC(C)CCn1ccc2c(NC(=O)Cn3nc4c(cc3=O)CCCC4)cccc21 71286140 JGPOYTNFJYSEFW-UHFFFAOYSA-N 392.503 3.762 0 40 GHAB Cc1nc(C)c(C(=O)N2CCN(c3nc4c(C)c(C)ccc4s3)CC2)s1 36687931 BDRIIODODQEVCA-UHFFFAOYSA-N 386.546 3.949 0 40 GHAB COc1ccc(NC(=O)Nc2nc(SCC(=O)C(C)(C)C)ns2)cc1 35314707 QVAVYPPBKLNCAJ-UHFFFAOYSA-N 380.495 3.898 0 40 GHAB CCc1ccc([C@@H](CNC(=O)c2ccc3nc(C)c(C)nc3c2)N(C)C)cc1 32841483 IMIVXQFQMXASEA-JOCHJYFZSA-N 376.504 3.842 0 40 GHAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2C(=O)c2ccncc2)n1 72376960 AQJYLGLATKNYCJ-GOSISDBHSA-N 377.423 3.627 0 40 GHAB CC(=O)Nc1ccc(CC(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)cc1 32930268 DYEHVKGEBWXBHA-GOSISDBHSA-N 393.531 3.878 0 40 GHAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(F)c(F)c1 71980537 BTMCZAXLYVKNHS-WGAFOPHPSA-N 381.419 3.823 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCN(c3ccnc4ccccc34)CC2)c(C)c1 564293606 NIVNBUCJSUHOHE-UHFFFAOYSA-N 388.515 3.921 0 40 GHAB Cc1cccc(NC(=O)c2sc3ncn(C[C@@H]4CCCO4)c(=O)c3c2C)c1 35673363 DJMXBIGXAVHWNX-HNNXBMFYSA-N 383.473 3.506 0 40 GHAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 32750406 YATVJLIJIWMQPT-CYBMUJFWSA-N 378.266 3.884 0 40 GHAB Cc1cc(NC(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)cc2n[nH]cc12 565293610 VUPGVWFEPXALLW-OAQYLSRUSA-N 376.416 3.513 0 40 GHAB CSc1cccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)c1 220066224 NADHOJAOQXIEAQ-UHFFFAOYSA-N 392.546 3.738 0 40 GHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccccc1 223461357 LPIQYPQGBWDBNU-HXUWFJFHSA-N 384.545 3.516 0 40 GHAB Cc1cc(OCC(=O)NCCOc2ccc(Cl)cc2)ccc1Br 224241445 DHTYZPFCGLOUPI-UHFFFAOYSA-N 398.684 3.985 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 220299752 QBXGTPPJUNTPOM-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCCCCC3)n2)o1 225916864 UHVBRPQGVRQISP-UHFFFAOYSA-N 379.917 3.898 0 40 GHAB O=C(c1ccoc1)N1CCC(CNC(=O)C2(c3cccs3)CCCC2)CC1 77099705 LNLVTQMLDAPMEM-UHFFFAOYSA-N 386.517 3.822 0 40 GHAB CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccco1 223051407 DOAJRUNVPNHEBZ-QFIPXVFZSA-N 390.483 3.946 0 40 GHAB CCc1ccc(C2=NN(C(=O)c3ccc(OC)cc3)[C@@](O)(C(F)(F)F)C2)cc1 96580087 DSCDQFZVDYFMRR-IBGZPJMESA-N 392.377 3.759 0 40 GHAB CCC(CC)C(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 514289740 ZTZCIDFCZUBYQI-GJZGRUSLSA-N 389.471 3.620 0 40 GHAB biogenic,in-vitro O=C(c1ccno1)N1Cc2ccccc2C2(CCN(CC3CCCC3)CC2)C1 96242449 XBMVIWOJRSFQAG-UHFFFAOYSA-N 379.504 3.854 0 40 GHAB Cc1nc(N)sc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257342614 ZPLLQXVZXHACOI-HNNXBMFYSA-N 386.452 3.729 0 40 GHAB Cc1ccccc1[C@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)C1 664810311 MRGKEQSHQHHRAZ-RMEPHLEKSA-N 394.519 3.677 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)NCc1nn(C2CCCC2)c2c1CCCC2 96099247 WOHGCEHABXTDBC-CCEZHUSRSA-N 385.533 3.967 0 40 GHAB Cc1ccc(CCc2nc(N(C)CCc3ccccc3)ncc2C(=O)O)cc1 585266023 ZKTNBKXEXALUKC-UHFFFAOYSA-N 375.472 3.947 0 40 GHAB COc1ccc(CN2CCC(c3cc(O)nc(-c4ccncc4)n3)CC2)cc1 72392697 HVHISZJKOGCOKJ-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(c2ccc3cccnc3n2)CC1 655265819 LNNFREVDEIHIHT-UHFFFAOYSA-N 397.482 3.894 0 40 GHAB C[C@@H]1CCCCN1CCNc1ncc(-c2cnccn2)c(-c2cccs2)n1 12239918 MIMORLAVLJDNHO-OAHLLOKOSA-N 380.521 3.948 0 40 GHAB COc1cccc(CN2CCC[C@@]3(CCN(C(=O)Cc4ccsc4)C3)C2)c1 12476062 RJBCUWOCQGBJNU-JOCHJYFZSA-N 384.545 3.814 0 40 GHAB Cc1ccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1 14400719 DZZDARYKHFXRBK-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCCc2ccccc2)cc1 17357539 HHLKTDOMKZQPIE-UHFFFAOYSA-N 396.516 3.755 0 40 GHAB O=C(NCC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccccn3)C2)no1 19401679 AOZKHQNTNITMQI-SFHVURJKSA-N 382.508 3.759 0 40 GHAB Cc1cc(C)n(-c2cccc(C(=O)N3CCC(Oc4cccnc4)CC3)c2)n1 19574711 MYCHMJJVBAZMCI-UHFFFAOYSA-N 376.460 3.568 0 40 GHAB Cc1nc([C@H]2CCCCN2C(=O)CCc2ccccc2)nc2c1CCCN2C 19707088 GFJGZXGGGYBNSW-HXUWFJFHSA-N 378.520 3.854 0 40 GHAB CCOC(=O)c1sc(Nc2nc(-c3ccc(Cl)cc3)cc(=O)[nH]2)nc1C 19819596 IHUZHLIAVWTRPJ-UHFFFAOYSA-N 390.852 3.776 0 40 GHAB CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)cc1OCC 1780365 WMYBAUQHVKITCW-WUXMJOGZSA-N 396.487 3.973 0 40 GHAB COc1ccc(Cc2nnc(C3CCN(C(=O)NC(C)(C)C)CC3)s2)cc1 35597027 PTSJSMLVIAFNMF-UHFFFAOYSA-N 388.537 3.825 0 40 GHAB Cc1nccn1-c1ccc(CN2C[C@@H]3[C@@H](CCC[C@]3(O)c3cccnc3)C2)cc1 36719151 IMNASUCEEHLLKK-ZTCOLXNVSA-N 388.515 3.695 0 40 GHAB COCCCN1CC[C@@H]2CN(C(=O)Nc3ccccc3SC)C[C@@H]2CC1 2056223881 FXYLCDHVPZZQPU-CALCHBBNSA-N 377.554 3.621 0 40 GHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(N2C(=O)CCC2=O)cc1 4072528 NCJXZMXYBGIOCR-UHFFFAOYSA-N 395.415 3.855 0 40 GHAB COc1ccc(-c2noc(-c3nnn(-c4cc(Cl)ccc4C)c3N)n2)cc1 5043189 CFABNBURLNHDDY-UHFFFAOYSA-N 382.811 3.537 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1N1CCCC1=O 5329579 MSZRDIXLAOKBQC-UHFFFAOYSA-N 384.501 3.801 0 40 GHAB COc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)cc1C 10335581 CDLKKVRWHVVBOR-NRFANRHFSA-N 398.528 3.738 0 40 GHAB CCOc1cccc(N2C(=O)C[C@H](N3CCC(c4ccccc4)CC3)C2=O)c1 18222858 ATTUGCUEQXGPOY-NRFANRHFSA-N 378.472 3.597 0 40 GHAB O=C(NCc1cccs1)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 49030434 IVXJQNUXAFEDNI-HNNXBMFYSA-N 385.489 3.847 0 40 GHAB O=C(CCc1ccccc1Br)N1CC[C@@H](Oc2nccs2)C1 585320063 HBMKKUBAMANTIX-CYBMUJFWSA-N 381.295 3.518 0 40 GHAB C[C@@H]1CCc2sc(NC(=O)COc3ccc(Cl)cc3)c(C(N)=O)c2C1 4075769 DKVBRNNUYYHNQO-SNVBAGLBSA-N 378.881 3.643 0 40 GHAB COc1ccc(CN2C(=O)[C@@](O)(CC(C)=O)c3c(Cl)ccc(Cl)c32)cc1 4988096 DRANPXXPMMROKS-LJQANCHMSA-N 394.254 3.716 0 40 GHAB CCC[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1 40068861 DGYBMUOJTWZMEI-QFIPXVFZSA-N 381.520 3.859 0 40 GHAB O=C1Nc2cc(F)ccc2[C@@]12CC(O)=Nc1c2cnn1Cc1ccc(Cl)cc1 32102817 JUQWKDVMKTYTNI-HXUWFJFHSA-N 396.809 3.954 0 40 GHAB COc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@](O)(C(F)(F)F)C2)cc1 722553 HEGGQUXTOOENMF-QGZVFWFLSA-N 398.768 3.850 0 40 GHAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)O[C@@H](C)C(=O)NC(C)(C)C 46276635 QEJSSSIDSAZLEO-LBPRGKRZSA-N 378.469 3.641 0 40 GHAB COc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3Cc2ccc(F)cc2)cc1 32103765 YVKONGDDBYIOCV-UHFFFAOYSA-N 396.443 3.625 0 40 GHAB C[C@H]1CN(Cc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)C[C@H](C)O1 21548638 XDUYYHVIOXXGBU-RYUDHWBXSA-N 389.908 3.914 0 40 GHAB CC(C)Cn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCCC1 6327398 SWIQXJSGYVFQDY-UHFFFAOYSA-N 386.565 3.824 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)COc1c(Cl)cccc1Cl)OCO2 6918596 NMWVVOVIGLZIQY-UHFFFAOYSA-N 382.199 3.942 0 40 GHAB C[C@@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)C(=O)NC(C)(C)C 21605521 DTTHGQBSUUUGMD-FFHGMXDLSA-N 385.595 3.835 0 40 GHAB C[C@@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)c1ccc(Cl)cc1 32910799 XLLXDNGLNBCAAF-CYBMUJFWSA-N 384.819 3.637 0 40 GHAB Cc1c(C(=O)Nc2ccc(OCc3cccnc3)cc2)cnn1-c1ccccn1 103047284 XOHYOLVBTFYUIF-UHFFFAOYSA-N 385.427 3.802 0 40 GHAB Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1-c1ccncc1 603759 VAIBMQLMFYXTLJ-UHFFFAOYSA-N 397.417 3.720 0 40 GHAB in-man Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c(C)c1 653087 ILSFXUBUDMDKAF-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Nc2ccccc2)cc1 103580964 XMGFGFJYBTYVMS-BGYRXZFFSA-N 389.455 3.710 0 40 GHAB Cc1ccc(-c2noc([C@H](C)N3CCN(c4ccc(O)cc4)CC3)n2)cc1F 22514899 KFHBAGMOZZTIMY-HNNXBMFYSA-N 382.439 3.773 0 40 GHAB CC(=O)N(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccccc1C 991299 BAIBHHFWCVKLOO-UHFFFAOYSA-N 377.227 3.908 0 40 GHAB CCN1CCN(C(=O)c2c(C)oc3c2cc(OC(C)=O)c2ccccc23)CC1 54106056 LNRYKDIWOXHNGI-UHFFFAOYSA-N 380.444 3.597 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2C2CC2)C1 105704031 WKRCIJVNWJAHOZ-ZNMIVQPWSA-N 385.537 3.660 0 40 GHAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc4c(c3)CC(=O)N4)nnc12 100477051 FXRAXGSEVSJEBQ-LRTDBIEQSA-N 394.500 3.516 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)c2ccccc12 12523277 XLVLOOBEPXVERR-UHFFFAOYSA-N 389.455 3.734 0 40 GHAB O=C(CNc1ccc(-n2cccn2)c(F)c1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 55879945 PXQNUXOWVLVSRU-OCCSQVGLSA-N 384.377 3.661 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CS[C@H](C)c3nc4ccccc4[nH]3)ccc21 12556880 IMNPARMYRJIFIE-CYBMUJFWSA-N 394.500 3.905 0 40 GHAB CCCCc1nc2ccccc2c(NC(=O)CN2CCN(C)CC2)c1CCC 22863211 CDMNULRMLJMINY-UHFFFAOYSA-N 382.552 3.716 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2C)cc1 25812014 MIFPLLFCJNFFGA-UHFFFAOYSA-N 398.484 3.938 0 40 GHAB COc1cc(NC(=O)c2cc(F)cc(F)c2)ccc1NC(=O)c1cccnc1 26236997 UVCOPKIQIBXQHG-UHFFFAOYSA-N 383.354 3.873 0 40 GHAB CCCOc1ccc(CNC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)cc1 57477291 QFNTVNRHFMMIDB-UHFFFAOYSA-N 395.459 3.813 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cnc(Cl)c(Cl)c2)c1 3246909 COJNJHPMLCFKSQ-SNVBAGLBSA-N 381.215 3.775 0 40 GHAB CSc1nccn1-c1cccc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1 44491151 UKSBBXHQMCJFRO-UHFFFAOYSA-N 386.864 3.599 0 40 GHAB CCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 58148825 SIILBEQVRHLTQG-UHFFFAOYSA-N 394.906 3.970 0 40 GHAB CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@H]2c2ccccc2)ccc1Cl 58218562 SESRQPJTAYTVIF-KRWDZBQOSA-N 378.881 3.689 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)NCCCN2CCC(C)CC2)no1 28071019 PYYRWJQRAFHKHL-UHFFFAOYSA-N 388.537 3.522 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1cccnc1N1CCCC1 48172002 OBIRHJGIUYWSJU-UHFFFAOYSA-N 390.491 3.591 0 40 GHAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1 3370897 ICADLXJLDGEHAH-UHFFFAOYSA-N 381.215 3.747 0 40 GHAB Cc1noc(C)c1CN(C)C(=O)C1(NC(=O)OC(C)(C)C)CCC(C)CC1 58796374 JOLULCAFFINWPI-UHFFFAOYSA-N 379.501 3.723 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccc(F)cc2)c1 36446983 ARIWLJUERVTYDY-QRWLVFNGSA-N 386.467 3.857 0 40 GHAB Cn1cc(CN2CCC[C@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 306130239 IZUQZVLIQYQVMY-IBGZPJMESA-N 390.466 3.649 0 40 GHAB CCOc1ccc([C@@H]2C[C@H](c3ccc(OCC)cc3)n3nc(N)nc3N2)cc1 2472257 OUHDPOLNKRTPMQ-RBUKOAKNSA-N 379.464 3.804 0 40 GHAB Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4sccc4C)CC3)n2)cc1 36763199 SJXYMHCADGVUFQ-INIZCTEOSA-N 396.516 3.934 0 40 GHAB C[C@@H](Oc1ccc(C(=O)NCCCN2CCCCCC2=O)cn1)c1ccccc1 48374077 YDKVGCDNXNJVAI-GOSISDBHSA-N 395.503 3.744 0 40 GHAB COc1ccc(NC(=O)CN(C)C(=O)c2csc(-c3ccccc3)n2)cc1 12892210 MMZOHWTYKWZUOR-UHFFFAOYSA-N 381.457 3.529 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(C)cc2)c1 12915359 XTZQDULHLSDZKA-NRFANRHFSA-N 382.504 3.808 0 40 GHAB O=C(Nc1cccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)c1)C1CC1 12980368 QETBZJMSAJCCCC-UHFFFAOYSA-N 376.441 3.995 0 40 GHAB COc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc(OC)c1OC 8489975 WPXBWSUELBZUTK-LLVKDONJSA-N 394.265 3.966 0 40 GHAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1 13096541 UEDGYRWZHYEHNC-QCWPFBFRSA-N 399.535 3.518 0 40 GHAB COc1ccc(-c2nc(C(=O)Nc3nc4ccccc4[nH]3)cs2)cc1OC 17304404 GTDDQMTYMNTVTH-UHFFFAOYSA-N 380.429 3.956 0 40 GHAB CC[C@H](Oc1ccccc1)C(=O)N1CCCN(C)c2nc3ccccc3nc21 17364417 HIMNCLUECJEMHM-IBGZPJMESA-N 376.460 3.660 0 40 GHAB COc1ccc(-c2nn3c(-c4cc(OC)c(OC)c(OC)c4)nnc3s2)cc1 4113869 UFOMLEFWTAJMRM-UHFFFAOYSA-N 398.444 3.554 0 40 GHAB COc1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)CCCC3)cc1 5028980 BFJDNYMDOCHVHM-UHFFFAOYSA-N 380.473 3.525 0 40 GHAB O=C(NC1CCCCC1)[C@@H]1CCCN(Cc2cc(Cl)c3c(c2)OCO3)C1 69979686 KHBTWFFHGJSJBA-OAHLLOKOSA-N 378.900 3.730 0 40 GHAB C[C@@H](Sc1nc2cccc3cccc([nH]1)c32)C(=O)Nc1ccc(C(N)=O)cc1 5197017 DQOKYOWOACAGAQ-GFCCVEGCSA-N 390.468 3.934 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c1 13944861 UUQOYQIGTJMXAM-QGZVFWFLSA-N 393.462 3.954 0 40 GHAB Cc1ccccc1OCCn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 408570261 KPMDGQWJWONODF-UHFFFAOYSA-N 376.456 3.834 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 14165086 SOAVVSYCWMEMDA-OXJNMPFZSA-N 392.565 3.948 0 40 GHAB CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)c1 4554211 LNQAOWQXJCATLH-UHFFFAOYSA-N 385.391 3.563 0 40 GHAB COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O 5401933 IOIXLHLEUMQIJO-UHFFFAOYSA-N 397.862 3.828 0 40 GHAB CC(C)[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCCCO2 5453068 HFNBCIGPGYEQEP-RTWAWAEBSA-N 383.444 3.501 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1C 408576468 VOZVZCRRLYJCRR-UHFFFAOYSA-N 386.517 3.633 0 40 GHAB NC(=O)N[C@@H](CC(=O)Nc1cccnc1)c1cccc(Oc2ccccc2)c1 6650070 CDQWHMKVWLQZBK-IBGZPJMESA-N 376.416 3.612 0 40 GHAB CC[C@H](C)c1ccc(C(=O)COC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 5621800 UZKYSAYOIGBMCZ-HNNXBMFYSA-N 388.485 3.784 0 40 GHAB Cc1cccc(-n2c(SCC(=O)NC(C)C)nc3ccsc3c2=O)c1C 67217234 SUCSMFYXJKGOQW-UHFFFAOYSA-N 387.530 3.681 0 40 GHAB COc1ccc2cc(/C=C/C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)ccc2c1 15518921 MJXOFDHORMHTQW-ONNFQVAWSA-N 386.407 3.726 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 7654259 VFZFXCXHNBQYJG-SFHVURJKSA-N 392.908 3.830 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)NCc2ccc(CN(C)C)cc2)no1 16102350 GIUUPDNFIZTCPO-UHFFFAOYSA-N 396.516 3.662 0 40 GHAB Cc1ccc(N2C(=O)N=C(O)[C@@]3(Cc4ccccc4N4CCC[C@@H]43)C2=O)cc1 9009639 PTKLITULSWPWCX-GCJKJVERSA-N 375.428 3.630 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(C2CC2)nn1-c1ccccc1 8157299 PPCISSWJISGNKC-OAQYLSRUSA-N 390.487 3.910 0 40 GHAB COc1ccc(CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C2CC2)cc1 8165230 PXZPVBRIXJUROV-UHFFFAOYSA-N 398.528 3.800 0 40 GHAB CCC(=O)c1ccc(OCC(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)cc1 8191758 FSLZOHZKMKALKH-UHFFFAOYSA-N 383.444 3.837 0 40 GHAB COC(=O)c1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 71279431 LPVPOSIPSIMWBR-INIZCTEOSA-N 383.448 3.982 0 40 GHAB CC(=O)Nc1ccc(C(=O)COC(=O)c2nc(-c3ccccc3)oc2C)cc1 9717873 ZTWAAVCUPOGSDB-UHFFFAOYSA-N 378.384 3.648 0 40 GHAB COc1ccc(Cc2nc3c4c(C)c(C)n(Cc5cccnc5)c4ncn3n2)cc1 9304485 XGLYDDPXAQPEBD-UHFFFAOYSA-N 398.470 3.739 0 40 GHAB CC[C@@]1(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCC(=O)NC1=O 9306473 AGTSDCGHIZAPSA-QFIPXVFZSA-N 376.412 3.770 0 40 GHAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(OC)c(OC)c1 9462065 KFOIZEVSEAEQPR-UHFFFAOYSA-N 394.471 3.988 0 40 GHAB CO[C@@H](CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)c1ccc(Cl)cc1 72296786 VGOCPYFUHUMMOM-SFHVURJKSA-N 398.894 3.925 0 40 GHAB Cc1ccc(Cn2nc(C)c(C(=O)NC[C@H](CCO)CC(C)C)c2Cl)cc1 72311631 GGLXQEMGIVCVNC-GOSISDBHSA-N 391.943 3.976 0 40 GHAB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N(CC(F)(F)F)C1CC1 84569353 PQEVDCAQSXAHBE-UHFFFAOYSA-N 387.361 3.553 0 40 GHAB COc1ccc(CCNC(=O)[C@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1 25214035 MXDSPPNXRZYBAZ-ZDUSSCGKSA-N 382.382 3.753 0 40 GHAB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1Cl 408816542 UCFFDECDZUUCFQ-WDZFZDKYSA-N 390.244 3.601 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1NC(C)=O 408557280 GGUXPCFQLTWBBU-UHFFFAOYSA-N 398.868 3.507 0 40 GHAB COc1ccc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)cc1F 513239464 YPHLCTNYUJXNRH-UHFFFAOYSA-N 375.787 3.510 0 40 GHAB CN(C)CCCNC(=S)N(CCc1nc2ccccc2[nH]1)C1CCCCC1 35312930 SEWKFEUIOCBXJZ-UHFFFAOYSA-N 387.597 3.566 0 40 GHAB O=C(c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCSCC1 33595527 GLMMWDCTGCVXKM-UHFFFAOYSA-N 389.484 3.809 0 40 GHAB COc1cccc2sc(N(C)CC(=O)Nc3nc4c(s3)CCCC4)nc12 70640866 KSFBBDUMUUBNTE-UHFFFAOYSA-N 388.518 3.715 0 40 GHAB Cc1cccc(N2CCN(CCCNC(=O)c3cc(Cl)ccc3F)CC2)c1 31234357 PQJNOAWGFOKNCA-UHFFFAOYSA-N 389.902 3.730 0 40 GHAB COCc1nn2c(O)cc(-c3ccc(C)nc3)nc2c1-c1ccc(OC)cc1 72391440 XOZWEQQVHMJZSU-UHFFFAOYSA-N 376.416 3.627 0 40 GHAB Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359688 HDENPYVKHALTLB-OAHLLOKOSA-N 381.867 3.848 0 40 GHAB O=C1C[C@]2(CC(c3c(F)cccc3Cl)=NO2)C(=O)N1c1ccc(Cl)cc1 44920265 GVQKXPNNHSEEFA-GOSISDBHSA-N 393.201 3.959 0 40 GHAB C[C@@H]1CCCN(CCNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C1 48326580 WOVXVMNGIQGSTE-QGZVFWFLSA-N 378.476 3.594 0 40 GHAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NC[C@H]3CCCO3)o2)c1 224898324 ZQWDWGMUZZCTGT-QGZVFWFLSA-N 378.428 3.926 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1cc(C)ccc1C 224622538 HRIIDPBLOYYPMI-NRFANRHFSA-N 396.531 3.668 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3c(C)cccc3C)c(Cl)cc21 223361763 GGVGHOYVRYOUHT-UHFFFAOYSA-N 380.853 3.685 0 40 GHAB Cc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3ccco3)CC2)cc1 96037077 UVKBTHPKZAKLGT-UHFFFAOYSA-N 376.504 3.888 0 40 GHAB O=C(Cc1nsc2ccccc12)N1CCC[C@@H](c2ncc3n2CCCC3)C1 578860756 IRFMJPKFDFDNJB-OAHLLOKOSA-N 380.517 3.778 0 40 GHAB COc1cccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 243148050 JMUIVNPVQCYOIT-NSHDSACASA-N 379.243 3.994 0 40 GHAB CCc1c(COC(C)=O)c(CC)c(COC(C)=O)c(CC)c1COC(C)=O 1083805676 KXASNPPEEGBERG-UHFFFAOYSA-N 378.465 3.563 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)Cc2cccc(F)c2)c2ccccn2)CC1 257254101 KBOXTXOIPPTSKR-LYHRCORUSA-N 397.494 3.563 0 40 GHAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5nnc6nc[nH]n56)(C4)C2)C3)cc1C 614991742 VKGHLTHZKBAETQ-KILAXVPQSA-N 390.491 3.546 0 40 GHAB O=C(c1csc(-c2ccccc2)n1)N1CCCSC[C@@H]1CN1CCCC1 90608998 RSOXGENOKHLSJX-KRWDZBQOSA-N 387.574 3.854 0 40 GHAB COc1cccc2cc(C(=O)N3CCC[C@@](CO)(Cc4ccccc4)C3)oc12 643307792 RCVSIYADWOJNJD-HSZRJFAPSA-N 379.456 3.899 0 40 GHAB Cc1cccc(CSCC(=O)NCC2CCN(Cc3ccncc3)CC2)c1 598061715 GEVINLCGHVRQNK-UHFFFAOYSA-N 383.561 3.652 0 40 GHAB COc1cccc(CC(=O)NCCn2nc(-c3cccs3)cc2C2CC2)c1 96121601 XIUBEOBYGXLDKQ-UHFFFAOYSA-N 381.501 3.857 0 40 GHAB O=C(O)COC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 725240714 YGLISVAENVGYBU-INIZCTEOSA-N 395.455 3.749 0 40 GHAB C[C@H]1CN(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)C[C@@H](C)O1 58158430 MAEHFUYLAHEPMT-OKILXGFUSA-N 377.460 3.986 0 40 GHAB Cc1c(CN(C)C(=O)c2cnn(C3CCCC3)c2-c2ccccc2)cnn1C 575979454 MGHRKWCHUMSORU-UHFFFAOYSA-N 377.492 3.979 0 40 GHAB CCCn1nccc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615152571 ARTNULRNIRRCLA-APWZRJJASA-N 384.499 3.952 0 40 GHAB Cc1noc([C@H]2CCN(S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)C2)n1 1251283385 MQTHCUKIMYJWGO-QMMMGPOBSA-N 396.683 3.516 0 40 GHAB CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccc(OC)cc1 13479929 IMJHAFWJHCZBSV-UHFFFAOYSA-N 380.444 3.598 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3ccco3)c2)cc1 15617807 DNZPPOLTXONPAH-UHFFFAOYSA-N 384.457 3.661 0 40 GHAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)N1CCCCCC1 15922082 RFBPXCNKBFRQBA-INIZCTEOSA-N 394.475 3.523 0 40 GHAB CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4nccs4)cc3C2=O)cc1 16641149 JLIMKBUSFDUFRP-UHFFFAOYSA-N 393.424 3.595 0 40 GHAB C[C@H]1CN(C(=O)C2(Cc3ccccc3-c3cccnc3)CCOCC2)C[C@@H](C)O1 19497228 GDJIGDZHOHKLQL-KDURUIRLSA-N 394.515 3.724 0 40 GHAB CCC(=O)N1CCC[C@](Cc2ccc(-c3ccc(OC)cc3)cc2)(C(=O)NC)C1 19498584 QZEXNAPVMHEFAR-XMMPIXPASA-N 394.515 3.670 0 40 GHAB CCc1nnsc1C(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C 19521881 ADUDPYMDOQKEEY-BHIYHBOVSA-N 384.549 3.583 0 40 GHAB CCCc1cc2c(cc1NC(=O)c1cnc(N3CCC[C@@H](C)C3)nc1)OCO2 19525474 RKHOOTFWFDMOCD-CQSZACIVSA-N 382.464 3.646 0 40 GHAB C[C@H](NC(=O)c1ccccc1F)c1nc2cc(-c3ccc(F)cc3)ncn2n1 19574340 KZKDEZLAPARBJJ-LBPRGKRZSA-N 379.370 3.561 0 40 GHAB Cc1ccc(Cc2ccc([C@@H]3CN(Cc4cnn(C)c4C)CCO3)nc2)cc1 19692576 ICNBLTHKDGYYPO-QHCPKHFHSA-N 376.504 3.596 0 40 GHAB COc1cccc([C@@H]2CN(C(=O)C3CCCCC3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 19712859 ZJVRDXLFSPSGJL-VWPQPMDRSA-N 384.520 3.629 0 40 GHAB C=CCN1C(=O)/C(=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)SC1=S 8334468 JVRZJKWCLUNMSM-ATVHPVEESA-N 397.525 3.876 0 40 GHAB CSC1CCN(C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)CC1 601692668 SNFOBBWYMAHKKK-UHFFFAOYSA-N 376.913 3.766 0 40 GHAB Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2SC(F)F)CC1 240122633 WEEUTAKUQQAQKO-UHFFFAOYSA-N 392.475 3.575 0 40 GHAB O=C(NCc1cccc(F)c1)c1cc([C@@H]2CCCN(Cc3cccnc3)C2)no1 19293925 RDNOESVFLYSORX-GOSISDBHSA-N 394.450 3.518 0 40 GHAB CCc1ncnc(N(C)CC2CCN(c3nc4cnccc4s3)CC2)c1F 1888903862 BFDJLYYDRRKJGG-UHFFFAOYSA-N 386.500 3.536 0 40 GHAB O=C1N(CN2CCc3ccccc3C2)c2ccccc2C12O[C@H]1CCCC[C@H]1O2 19874140 HOKKPOQCBNXUBK-RIKCKFAHSA-N 390.483 3.560 0 40 GHAB COc1ccccc1NC(=O)N1CC[C@H](Oc2ccc(Br)cn2)C1 238825936 DTBPSIWJRJFHKD-ZDUSSCGKSA-N 392.253 3.538 0 40 GHAB CCOC(=O)[C@@](NC(=O)CC)(Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 2275283 PRQNJAJISBQTBA-ZDUSSCGKSA-N 387.185 3.753 0 40 GHAB COc1ccc2cc(CCNC(=O)Cc3cccc4ccccc34)c(=O)[nH]c2c1 4032876 OBROZWKGEWHGEA-UHFFFAOYSA-N 386.451 3.591 0 40 GHAB CCN(CC)CCN(C(=O)C1=COCCO1)c1nc2ccc(Cl)cc2s1 4359455 MEUQDIQSIRGCMR-UHFFFAOYSA-N 395.912 3.513 0 40 GHAB O=C(Nc1nc2ccccc2s1)[C@H]1CC=CC[C@@H]1C(=O)OC[C@@H]1CCCO1 4415946 KZZBVJOVYOZMPX-KKUMJFAQSA-N 386.473 3.539 0 40 GHAB C[C@](O)(CNC(=O)CCc1ccccc1Br)Cc1ccsc1 618257421 VVOGILQBENVHEL-QGZVFWFLSA-N 382.323 3.553 0 40 GHAB O=C(Cc1scnc1-c1cccs1)N1CCN(Cc2ccccc2)CC1 15840270 GLOBNMBCQUOWBA-UHFFFAOYSA-N 383.542 3.759 0 40 GHAB COc1ccc(CN[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1 19285168 QZSFTCPRDYWUQV-NRFANRHFSA-N 388.471 3.642 0 40 GHAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)C(C)C 10428951 AVAZLLRDHSXEOX-NRFANRHFSA-N 379.504 3.988 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 10429767 CTYPJXFCMGXCAK-HXUWFJFHSA-N 383.467 3.819 0 40 GHAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)C(C)(C)C)c1cccc(Br)c1 40074062 OCJZRDOBAIBFOD-SWLSCSKDSA-N 381.314 3.663 0 40 GHAB Cc1ccc(C(=O)OCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 40057236 MJVDOIKHJGQIGP-UHFFFAOYSA-N 375.428 3.854 0 40 GHAB CC(C)C(=O)Nc1nc(CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cs1 40141653 QWTIPUZIKVJYML-INIZCTEOSA-N 397.504 3.520 0 40 GHAB CCCc1nnc2sc(-c3ccc(CNC(=O)c4ccccc4F)cc3)nn12 30822842 XLHHZYJAESUDFU-UHFFFAOYSA-N 395.463 3.874 0 40 GHAB O=C(COC(=O)c1ccccc1Cl)NCc1ccccc1Br 51356222 UPBLCTGHWXOARO-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCCC3)cc2c1 888933 UXBMFGIGRUMXPG-FQEVSTJZSA-N 392.507 3.513 0 40 GHAB O=C(CCn1c(=O)oc2ccccc21)NCc1ccc(-c2ccc(F)cc2)o1 29673704 JSIUGRRXPWCKFM-UHFFFAOYSA-N 380.375 3.700 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 1003933 QCSDVIURBREBGY-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB CCN(CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12 1566133 ZMLZQKCBYPEYMG-UHFFFAOYSA-N 379.456 3.888 0 40 GHAB Cn1nccc1/C=C(/C(=O)NCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 32789516 CCSXILINWHMEDD-SFQUDFHCSA-N 391.862 3.807 0 40 GHAB CCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1-n1cccc1 4518504 JUXAAURLMUSAHK-UHFFFAOYSA-N 375.885 3.646 0 40 GHAB COc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1F 32863142 VONHIWVPMWFUFH-OAHLLOKOSA-N 399.466 3.956 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 6225657 ITVUTMSCCPCYDK-ZDUSSCGKSA-N 396.871 3.519 0 40 GHAB COc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1Br 6275140 JPEOPLKCKDTFBP-UHFFFAOYSA-N 379.279 3.513 0 40 GHAB CCN(CC)C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 6629805 XLMMDWACCOIBDQ-UHFFFAOYSA-N 380.517 3.819 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 7247584 RDTJXDFKMXKMOB-UHFFFAOYSA-N 382.485 3.716 0 40 GHAB O=C1CCc2cc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)ccc2N1 32836661 IKZBVLYHNKVSPX-UHFFFAOYSA-N 375.428 3.732 0 40 GHAB CCC[C@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10326253 YFXGIMCYZLKFPQ-JKSUJKDBSA-N 386.517 3.745 0 40 GHAB Cc1ccc(Cl)cc1N(CCCC(=O)NCc1ccccc1)S(C)(=O)=O 10358599 DHAXTINMSQYCJJ-UHFFFAOYSA-N 394.924 3.511 0 40 GHAB Cc1ccn2cc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)nc2c1 8013405 PYKUBJQWDWGERK-UHFFFAOYSA-N 386.459 3.880 0 40 GHAB CCOc1c(Cl)cc(CNn2c(-c3ccncc3)n[nH]c2=S)cc1OC 8253402 GVALLTOTRCJXJE-UHFFFAOYSA-N 391.884 3.807 0 40 GHAB CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(N)[nH]c(=O)c32)cc1 102667942 BIAXNYSMTPMMLF-OAHLLOKOSA-N 380.448 3.601 0 40 GHAB O=C(NCCCN1CCCCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 9062683 VMCZBFYEQXFOAR-UHFFFAOYSA-N 377.960 3.544 0 40 GHAB CCOC(=O)c1c(NC(=O)CN2CCC(C)CC2)sc2c1CC[C@H](C)C2 710241 LBJGYODXAYQBER-AWEZNQCLSA-N 378.538 3.720 0 40 GHAB O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1ccc(OC(F)(F)F)cc1 22760204 WRGINXKARQSLSI-UHFFFAOYSA-N 391.333 3.985 0 40 GHAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccco2)sc2c1CC[C@@H](C)C2 827362 MHHNMVKYMMQDOZ-SNVBAGLBSA-N 392.502 3.769 0 40 GHAB CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 22960052 LVBJCPOCPMHLRW-UHFFFAOYSA-N 384.860 3.808 0 40 GHAB Cc1ccc(C(C)C)cc1OCC(=O)NC1CCN(C(=O)c2ccoc2)CC1 22900522 OPOQSSQNFBSODW-UHFFFAOYSA-N 384.476 3.511 0 40 GHAB Clc1ccc(CN2CC[C@]3(COCc4cnc(-c5cccnc5)nc43)C2)cc1 107248564 ANNRKDDJFRFZTF-JOCHJYFZSA-N 392.890 3.866 0 40 GHAB COc1cccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)c1 991862 PJEBHQJNQWEKIY-UHFFFAOYSA-N 389.407 3.987 0 40 GHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccccc1Cl 950969 KMOKKCRTBOWPDL-GOSISDBHSA-N 380.835 3.921 0 40 GHAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)N1CCOCC1 1061482 CTQYNTZVKWERIN-UHFFFAOYSA-N 379.485 3.695 0 40 GHAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(Cc2ccc(Cl)s2)CC1 23640448 XJDMDZWBCJFMSP-UHFFFAOYSA-N 386.908 3.545 0 40 GHAB COc1cccc(F)c1-c1nc(C)c(C(=O)N=c2[nH]c3ccccc3[nH]2)s1 12322327 WLRKZZDFUNDUHE-UHFFFAOYSA-N 382.420 3.817 0 40 GHAB O=C(c1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1)N1CCCC1 55581188 KMGJRUQILRTVMZ-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB CCOC(=O)C1=C(C)NC(=S)N(C(=O)c2ccccc2)[C@@H]1c1ccccc1 1406520 FUUAFDKIIYGVOH-GOSISDBHSA-N 380.469 3.595 0 40 GHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)c1 108009721 IXRBNYGMKONZJL-UHFFFAOYSA-N 382.441 3.689 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(F)c(F)c2)cc1 26311634 REWMPLYUKBPRGP-AWEZNQCLSA-N 382.476 3.846 0 40 GHAB C[C@H](N[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@](C)=O)cc1 108114043 ALKRDWAKXJZOFO-NWBLWUIWSA-N 384.545 3.828 0 40 GHAB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1nccs1 103786215 MBFQWWKONYGRAL-UHFFFAOYSA-N 395.513 3.746 0 40 GHAB C[C@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2[nH]1 12547461 BHMWDXUGQXCWOV-LBPRGKRZSA-N 385.851 3.798 0 40 GHAB CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2ncnc3ccsc23)cc1 26963983 KYNVFXPQTREGSZ-LBPRGKRZSA-N 385.514 3.733 0 40 GHAB CC[C@@H]1CCc2c(sc(NC(=O)[C@]3(C)CC3(Cl)Cl)c2C(N)=O)C1 2088810 MNRXQLYVJIXGFM-GLEZIHRCSA-N 375.321 3.884 0 40 GHAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118930542 JKXQEBJVZBCFGF-SQSNUJQOSA-N 390.520 3.929 0 40 GHAB O=C(NCCC(=O)N1CCCCC1)NCC1(c2ccc(F)cc2)CCCCC1 58178976 FVBVALFYPFLPQA-UHFFFAOYSA-N 389.515 3.729 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(S(C)(=O)=O)ccc1C 23681251 CEKHMHBOTKGFMV-UHFFFAOYSA-N 375.490 3.957 0 40 GHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nncs2)cc1 3221903 MFUCLDFKMRIJIZ-UHFFFAOYSA-N 377.429 3.652 0 40 GHAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1 3238841 ZJFQLINYKKJLCS-UHFFFAOYSA-N 396.443 3.603 0 40 GHAB Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(C)c(F)c3)CC2)nc(C(C)C)n1 12778151 UKPFXDUEJQCRHB-KRWDZBQOSA-N 399.514 3.505 0 40 GHAB O=C(CCc1ccc(F)cc1)NCc1cccc(NC(=O)c2ccncc2)c1 48369077 JYOXXUFRQBMXRO-UHFFFAOYSA-N 377.419 3.722 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC(NC(=O)c3ccccc3C)CC2)cc1F 48367694 RFTGIEVAFUXWCU-QGZVFWFLSA-N 397.494 3.664 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 12809501 LHOVSYZVOQYPAP-OAHLLOKOSA-N 388.899 3.558 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2ccc(F)cc2)o1 3428668 HFGDTWIRSMALNR-GFCCVEGCSA-N 387.436 3.854 0 40 GHAB CC(C)c1ccccc1-n1c(SCC(=O)NC2CC2)nc2ccccc2c1=O 3482697 DBXVCQXTURRNTI-UHFFFAOYSA-N 393.512 3.880 0 40 GHAB COc1ccc2cc(/C=C/C(=O)N3CCS(=O)(=O)c4ccccc43)ccc2c1 12974005 ITYPWWIDCHSTSK-YRNVUSSQSA-N 393.464 3.682 0 40 GHAB COc1ccc([C@@H]2[C@@H](C(=O)N(C)C)CCC(=O)N2c2ccc(C)cc2)cc1OC 12996515 ZNOOETVSWMZDSA-PGRDOPGGSA-N 396.487 3.585 0 40 GHAB CC(=O)N1CC=C(c2ccc(OCC(=O)Nc3ccc4c(c3)CCC4)cc2)CC1 12939554 KVAQMRDKHVKLQD-UHFFFAOYSA-N 390.483 3.828 0 40 GHAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 13690552 PSXTXULLQJRZHC-UHFFFAOYSA-N 389.415 3.502 0 40 GHAB Cc1cc(Oc2cnccn2)ccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 49767763 JUYUXMGGVZVTQF-XVNBXDOJSA-N 375.384 3.958 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(CCCN(C)C)C3=O 4337795 GKLUMKSPEJGTAX-HXUWFJFHSA-N 376.456 3.598 0 40 GHAB CCCNC1=NN=C(c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)CS1 6274179 WDEXMXIIIUQIKN-UHFFFAOYSA-N 384.505 3.688 0 40 GHAB Cc1ccc(-c2noc(CN(C)C(=O)c3occc3Br)n2)cc1 13957937 CPPKYTUXTUPAHW-UHFFFAOYSA-N 376.210 3.673 0 40 GHAB O=C1O[C@H](C(=O)Nc2ncccc2OCC2CCCCC2)Cc2ccccc21 65548730 DADNGMITBSQCRW-IBGZPJMESA-N 380.444 3.761 0 40 GHAB COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)cc1 4524836 YSYYMAATHBZJDC-PKOBYXMFSA-N 391.423 3.760 0 40 GHAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cc2c(s1)CCCC2 8749758 IPVCNQONFFRSPL-HNNXBMFYSA-N 384.501 3.788 0 40 GHAB COc1ccc(-c2csc(NC(=O)Cc3ccc4c(c3)OCCO4)n2)cc1 5559017 LJZIAGZJTQLTEV-UHFFFAOYSA-N 382.441 3.771 0 40 GHAB COc1cccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)c1 4705323 VWWJDXLLZCEENR-FQEVSTJZSA-N 389.459 3.831 0 40 GHAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NCc1cccs1 5617220 OFLBCXMJRFVYFY-UHFFFAOYSA-N 378.453 3.594 0 40 GHAB O=C(COC(=O)c1ccc(Br)cc1)NCc1cccc(Cl)c1 5717286 QQQOTGQEZBPYJC-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2cccc(C)c2)cc1 4816428 FGUOEYAWLIWTEG-UHFFFAOYSA-N 399.454 3.958 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccc(C)c(C)c1)S2 6811805 KEXYCJCWAYOGTI-RBUKOAKNSA-N 393.516 3.855 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccccc1C)S2 6811868 UQVDZNDXNYSEFJ-RTBURBONSA-N 393.516 3.855 0 40 GHAB COc1cccc(CNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1 6887251 LIDHRFNTWFHTNA-UHFFFAOYSA-N 375.424 3.621 0 40 GHAB Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(NCCCN(C)C)o1 7003325 ZOHYJCWQJAJXAW-UHFFFAOYSA-N 399.516 3.846 0 40 GHAB COc1ccc(Nc2c(-c3cc(OC)c(O)c(OC)c3)nc3ncccn23)cc1 15414478 HJLHKQTXJUWNMQ-UHFFFAOYSA-N 392.415 3.871 0 40 GHAB CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 71281023 WDQPKXWSADLADE-RXVVDRJESA-N 398.547 3.880 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1NC(C)=O 7703963 ZGBPOKSPVZGFHW-SFHVURJKSA-N 390.505 3.719 0 40 GHAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)C3CCCCC3)cc2c1 9216345 SEVBWTUTICVCPS-UHFFFAOYSA-N 391.471 3.907 0 40 GHAB COc1cc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)ccc1NC(C)=O 78975240 WACGPMRSFXQTDB-UYAOXDASSA-N 397.475 3.774 0 40 GHAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Oc1ccccc1C(F)(F)F)C2=O 71814301 HTKHNEQXQFDKCF-UHFFFAOYSA-N 398.381 3.502 0 40 GHAB O=C(Nc1ncccc1OCc1ccncc1)c1ccc(NC(=O)C2CC2)s1 97001012 OUAZDNOUDZHMKQ-UHFFFAOYSA-N 394.456 3.718 0 40 GHAB CCN(CC)[C@@H](C(=O)NCCC(=O)OC(C)C)c1cccc(C(F)(F)F)c1 72284280 DSQQLVOKPHPMSX-QGZVFWFLSA-N 388.430 3.546 0 40 GHAB COc1cccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 21927787 NWWYOWJQJRGXBG-UHFFFAOYSA-N 378.394 3.672 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1 28233558 KZGJWVGZRWTTAO-UHFFFAOYSA-N 379.844 3.833 0 40 GHAB O=C1C[C@@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1cccc(Cl)c1 22607608 YBVGKEXEXVPLJK-LJQANCHMSA-N 379.847 3.512 0 40 GHAB biogenic COc1cccc(CN2CC[C@@]3(C2)CN(Cc2ccccn2)c2cccnc23)c1 306124657 BVUYVUDNYWEKTJ-XMMPIXPASA-N 386.499 3.649 0 40 GHAB CCc1c(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cnn1-c1ccccn1 174738939 QJSSCNNEOVCJSJ-MRXNPFEDSA-N 386.459 3.506 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3cccc(F)c3)C[C@H]2N1Cc1ccc(F)cc1 306135884 PDUYEIZEDZKVJX-FCHUYYIVSA-N 393.437 3.848 0 40 GHAB CC[C@H]1CCCCN1C(=O)CCn1c(=O)cc(C(F)F)c2c(C)n(CC)nc21 36621555 PPJSOYQAWIXEGC-AWEZNQCLSA-N 394.466 3.645 0 40 GHAB COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38835119 SZSLRPJJTNNHTJ-QGZVFWFLSA-N 386.879 3.977 0 40 GHAB CCSc1ccccc1NC(=O)CN(c1ccccc1CC)S(C)(=O)=O 30862361 YKNIPMTURHTEES-UHFFFAOYSA-N 392.546 3.766 0 40 GHAB CC(=O)Oc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@@]21CC(C)(C)NC(=S)N1 8578806 AYSYGLFCZRLLKZ-DENIHFKCSA-N 396.512 3.977 0 40 GHAB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 210931751 VZGSUUYGLOVQME-ZSAINHDTSA-N 399.424 3.788 0 40 GHAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nncs2)C12CCCC2 71280563 YVQQKAOEEFOVIM-XJKSGUPXSA-N 384.505 3.828 0 40 GHAB Cc1nc(N)c2ccc([C@@H]3CCCN3C(=O)CCCc3ccccc3)nc2n1 72377344 YTESLCXPGGZRRR-IBGZPJMESA-N 375.476 3.602 0 40 GHAB COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C2CC2)CO4)c(OC)c1 13692004 QRLKOBFTUPTEFJ-UHFFFAOYSA-N 379.412 3.792 0 40 GHAB biogenic O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 562610765 IRDNTSGBFUBNDY-YRRQLQLVSA-N 390.308 3.724 0 40 GHAB Cc1ccc2c(n1)N(C)[C@@H](c1ccc(NC(=O)[C@H]3CC=CCC3)cc1)NC2=O 72341178 CWCAFZPUQVBSMP-LPHOPBHVSA-N 376.460 3.563 0 40 GHAB Cc1cc(C(=O)N2CCC(Oc3nc4c(Cl)cccc4s3)CC2)no1 49432832 IBJLLSYIJFMOBU-UHFFFAOYSA-N 377.853 3.930 0 40 GHAB COc1ccc2oc(=O)c(C(=O)OCC(=O)c3ccc4ccccc4c3)cc2c1 41125372 BVNOTPDEWJAJCQ-UHFFFAOYSA-N 388.375 3.995 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CCC(C(=O)Nc2nccs2)CC1 44226954 MRNRYHRRIKMACR-UHFFFAOYSA-N 394.884 3.688 0 40 GHAB Cc1cccc(N(CCCC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1C 222631156 YENIXLLXKUWZQN-UHFFFAOYSA-N 392.565 3.856 0 40 GHAB O=C(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224029973 KFRUJKBZQUOXRC-UHFFFAOYSA-N 390.848 3.664 0 40 GHAB CCOc1ccc(-c2cnc(CCC(=O)NCc3ccc(OC)cc3)o2)cc1 224855778 HLWWBTRQVHAJJV-UHFFFAOYSA-N 380.444 3.998 0 40 GHAB O=C(Cc1noc(-c2ccc(-c3ccccc3C(F)(F)F)o2)n1)NC1CC1 576192435 CGANZTYCWJRBDY-UHFFFAOYSA-N 377.322 3.837 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 95482453 DLTVIZJEWFZYNY-GOSISDBHSA-N 381.432 3.527 0 40 GHAB Cc1ccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)C2)o1 96215934 YGJKVHDYJPEVRZ-HSZRJFAPSA-N 381.520 3.782 0 40 GHAB CCCCc1nc(C)sc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1 95472328 IDOYMWMYGZODPQ-UHFFFAOYSA-N 397.548 3.643 0 40 GHAB COC[C@H](C)NC(=O)C1(Cc2cccc(-c3ccc(OC)cc3)c2)CCOCC1 257198177 VFMUPQWVSDCUSY-SFHVURJKSA-N 397.515 3.853 0 40 GHAB COc1ccccc1CC(=O)N1CC[C@@H](c2c(C(N)=O)sc3ccccc23)C1 257305940 SSECLLOWAPWVQN-OAHLLOKOSA-N 394.496 3.567 0 40 GHAB CNc1cncc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)n1 257219366 DGNUTEVKBVLYBA-GOSISDBHSA-N 378.432 3.814 0 40 GHAB COc1cc(NC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)nn1C 654038030 BOZRUSFDXNQPKH-UHFFFAOYSA-N 378.423 3.584 0 40 GHAB O=C(N[C@@H](CO)Cc1cncs1)[C@H](c1ccccc1)c1ccc(Cl)cc1 1149832137 FQVLZFIOWRDJNF-IEBWSBKVSA-N 386.904 3.648 0 40 GHAB CCN1CCN(c2ccc(CN[C@@H](C)c3cc4ccncc4s3)cn2)CC1 657839686 YWFCBJJWVKWHKX-INIZCTEOSA-N 381.549 3.684 0 40 GHAB COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)c2c1 676876593 FUKAYMLXZMSNBR-MRXNPFEDSA-N 376.460 3.795 0 40 GHAB Cn1ccnc1SCC1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 90608205 JEYIVPWJMUGUSD-UHFFFAOYSA-N 382.489 3.720 0 40 GHAB O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1c(F)cccc1F 96121446 MMYJCVTUHRMDMX-UHFFFAOYSA-N 382.414 3.532 0 40 GHAB c1ccc2c(c1)OCCCCCCN=C(N1CCOCC1)c1cccnc1O2 1615079669 NGTMARRGJPASJP-UHFFFAOYSA-N 381.476 3.906 0 40 GHAB Cc1cc(CN2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)cc(C)c1O 1615123653 UOJNYRVVRGVPTP-DEOSSOPVSA-N 394.515 3.797 0 40 GHAB CC[C@@H]1CN(C(=O)Nc2ccccc2)[C@H](CO)[C@@H]1CN(C)CCc1ccccc1 1772594878 CSXZPCWGQSNVSQ-YMPZKCBVSA-N 395.547 3.712 0 40 GHAB CSc1nnc(CCNC(=O)Nc2ccccc2Br)n1C(C)C 5001752 OQCLZHALAABKSS-UHFFFAOYSA-N 398.330 3.708 0 40 GHAB O=C(c1cccc2nccnc12)N1CCC(c2ncncc2-c2ccncc2)CC1 12117241 GALPAKQAXPFYNI-UHFFFAOYSA-N 396.454 3.502 0 40 GHAB COc1cc(C(=O)NCc2coc(-c3cccs3)n2)ccc1OC(F)F 12803812 NFXRTHUQWPEYNI-UHFFFAOYSA-N 380.372 3.943 0 40 GHAB COC(=O)c1cc(NC(=O)CCCOc2ccc(OC)cc2)ccc1Cl 14396665 XRLZUFDGRVYSCS-UHFFFAOYSA-N 377.824 3.933 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(N3CCCC3=O)cc2)c1 15614358 QIKGDWFCVCASLC-UHFFFAOYSA-N 380.488 3.940 0 40 GHAB CCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(O)cc3s2)cc1 17079124 VTIXGRFZBKIBBH-UHFFFAOYSA-N 387.486 3.918 0 40 GHAB O=c1c2c(-c3ccccc3)c3c(nc2nc2[nH]nc(S)n12)-c1ccccc1CC3 17117759 VCBSEOHFTXIIDG-UHFFFAOYSA-N 397.463 3.687 0 40 GHAB COc1cccc(C(=O)N2CCCC[C@H]2c2nn(C)cc2-c2ccncc2)c1 19290084 MEPRFWTXKOKVOG-FQEVSTJZSA-N 376.460 3.858 0 40 GHAB CN1CC2(CCC(C(=O)N3CCCC(C)(C)C3)CC2)Oc2ccccc2C1=O 19461191 PIURHNDFTZCTDJ-UHFFFAOYSA-N 384.520 3.729 0 40 GHAB COCc1nn2c(O)cc(-c3cccnc3OC)nc2c1-c1ccc(Cl)cc1 19594261 VYOGIGMZRCBKEN-UHFFFAOYSA-N 396.834 3.972 0 40 GHAB O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cc(-c2ccc(F)cc2)no1 19659394 GAZXFXMBUVODHK-UHFFFAOYSA-N 393.418 3.533 0 40 GHAB Nc1n[nH]c2nc([C@H]3CCCCN3C(=O)C3CCCC3)cc(C(F)(F)F)c12 19695538 GSFZEULHVWIZJE-CYBMUJFWSA-N 381.402 3.803 0 40 GHAB CN1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1n[nH]c2c1CCC2 19713047 BZWJDJMPKCRXQU-QIJUGHKUSA-N 392.547 3.599 0 40 GHAB CC(C)c1csc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2)n1 19718217 HUSJUTIAQNKTGB-HNNXBMFYSA-N 396.516 3.778 0 40 GHAB Cc1ccc(-c2ccccc2CC2(C(=O)N[C@@H](C)CO)CCOCC2)c(C)c1 12231610 VMMDZOHYLLVTBG-IBGZPJMESA-N 381.516 3.807 0 40 GHAB CN(C)C(=O)[C@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 6929699 QSCXLDCMHLIFIT-MRXNPFEDSA-N 399.541 3.785 0 40 GHAB O=C1C[C@@H](Nc2ccc3c(c2)CCC3)C(=O)N1c1ccccc1Br 33039536 IBPSPVGTBMNNJP-MRXNPFEDSA-N 385.261 3.682 0 40 GHAB O=C(CCSc1ccccc1)NC[C@@H](c1ccco1)N1CCSCC1 244975248 IIAIAXQRPTWVGX-KRWDZBQOSA-N 376.547 3.668 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc2ccccc2oc1=O 4079232 LUXRKIBTKXVBCX-UHFFFAOYSA-N 392.392 3.898 0 40 GHAB COc1ccc([C@H]2c3cccn3CCN2C(=O)NCc2ccccc2)cc1OC 4854518 ZPSZCXPHCNYKEZ-QFIPXVFZSA-N 391.471 3.820 0 40 GHAB COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(Cl)cc3)c2=O)cc1 4905625 WIUMXOCRTDICII-UHFFFAOYSA-N 392.842 3.863 0 40 GHAB Cc1ccccc1NC(=O)CSc1ccc(NC(=O)c2ccccc2)nn1 11696287 BQPAIONWTPHTOO-UHFFFAOYSA-N 378.457 3.768 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)N(CCc1cccs1)C1CCOCC1 206677412 QORMHDKXRUZNTD-LFIBNONCSA-N 377.531 3.772 0 40 GHAB CCOc1ccc(-c2nnc(NC(=O)c3ccc(Br)o3)o2)cc1 35589986 BPYJHPGLKQDCEM-UHFFFAOYSA-N 378.182 3.743 0 40 GHAB O=C(CSc1ccc(Cl)cc1)NC(=S)Nc1ccc(C(=O)O)cc1 6615253 APYRSMGBUIODPZ-UHFFFAOYSA-N 380.878 3.644 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1 20012748 KSAVNGKFUNVASK-HNNXBMFYSA-N 375.428 3.637 0 40 GHAB Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 40145201 OBWVKVZSPHIXQS-CQSZACIVSA-N 399.516 3.842 0 40 GHAB Cc1c(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)oc2c1C(=O)CCC2 40133554 PCLKDZYNBYSIIJ-UHFFFAOYSA-N 380.444 3.524 0 40 GHAB O=C(NC1CCCCCCC1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 40115351 MBHAJLZDLRFQPQ-UHFFFAOYSA-N 393.484 3.797 0 40 GHAB COc1cccc(N2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)c1 30963865 XRJFZLRZCUBVMX-UHFFFAOYSA-N 384.867 3.721 0 40 GHAB C[C@@H](NC(=O)/C=C/c1ccccc1OC(F)F)c1ccc(NC(N)=O)cc1 45782031 QDRCJCFXBOUZTR-JATZPVMKSA-N 375.375 3.669 0 40 GHAB O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1cc(F)c(F)c(F)c1 2515259 RQTZRKRNSXVDHW-UHFFFAOYSA-N 391.389 3.674 0 40 GHAB CN1C(=O)c2ccc(C(=O)N(C)C(c3ccccc3)c3ccccc3)cc2C1=O 29235449 YKPILZQIXBAQQV-UHFFFAOYSA-N 384.435 3.774 0 40 GHAB CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)Cc1cc(C)ccc1C 59853371 KZDUAVLAMVDOKS-UHFFFAOYSA-N 385.489 3.564 0 40 GHAB COc1ccc(C2(C(=O)N[C@H](C)CCc3ccccc3)CCOCC2)cc1OC 20762521 OEJXXJQMKRMWLF-GOSISDBHSA-N 397.515 3.890 0 40 GHAB biogenic O[C@H](c1ccc(Br)cc1)[C@@H](CN1CCOCC1)c1ccccc1 20792210 RLTKQSKRESYILF-RBUKOAKNSA-N 376.294 3.599 0 40 GHAB Cc1ccc2cc(CN(CCN(C)C)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C 1378323 QFLLEBGZRHPJIH-UHFFFAOYSA-N 398.551 3.551 0 40 GHAB COc1ccc(C2N(c3ccccc3)NC(=O)NN2c2ccccc2)cc1OC 3162768 HIFHVYFYRXPVNQ-UHFFFAOYSA-N 390.443 3.858 0 40 GHAB CCCCn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O 3492779 UGTCASDBXNYRFA-UHFFFAOYSA-N 381.501 3.605 0 40 GHAB Cc1csc2nc(CSCCC(=O)Nc3ccc4c(c3)CCC4)cc(=O)n12 32778735 BMPVWVUOWGZKSN-UHFFFAOYSA-N 399.541 3.815 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 32779641 XCNBBYBJQQNIQP-IRXDYDNUSA-N 388.533 3.814 0 40 GHAB CCCNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1Cc1ccco1 32741833 QZRAGJUOOKZKGC-UHFFFAOYSA-N 395.488 3.686 0 40 GHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32843237 JFLYRROPNGQKOE-UVLALUNPSA-N 384.495 3.763 0 40 GHAB C[C@H]1CCC[C@@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H]1C 6435574 ZJJRCYIMEZXIEK-WOSRLPQWSA-N 381.314 3.510 0 40 GHAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1ccccc1Cl 6876377 CULJSRWUQDLUEK-UHFFFAOYSA-N 386.791 3.879 0 40 GHAB Nc1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2cccc(Cl)c2)n1 6925991 MWPQPWUZAXYCIS-UHFFFAOYSA-N 384.230 3.675 0 40 GHAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(=O)N(CC)CC 6948751 IXHIMXZMTHRKJA-QGOAFFKASA-N 394.471 3.825 0 40 GHAB CCc1nn2c(=O)cc(CSc3nnc(C)s3)[nH]c2c1-c1ccccc1 10338924 GTMFRXOIWVJRCY-UHFFFAOYSA-N 383.502 3.704 0 40 GHAB Cc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccccc2)c(C)c1 8368965 SSDDSWVQCHLATA-UHFFFAOYSA-N 388.533 3.661 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2csc(-c3cccnc3)n2)c1 57833952 XUPBDENLLIMHRQ-ZDUSSCGKSA-N 383.473 3.642 0 40 GHAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCCCCC3)c3ccccc32)s1 8569936 RYSGWZVGPOZSEY-JOCHJYFZSA-N 398.528 3.697 0 40 GHAB COc1ccc(F)cc1CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 22307915 VRLLIIYDDDNZLO-UHFFFAOYSA-N 386.511 3.695 0 40 GHAB COc1ccccc1-c1csc(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)n1 104024259 RBJXAQJTXZEQNG-AWEZNQCLSA-N 379.441 3.883 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 26527693 KQZBTAMKVDXIFR-UHFFFAOYSA-N 390.244 3.589 0 40 GHAB COc1cccc(NC(=O)CN2CCN(Cc3csc4ccccc34)CC2)c1 22931903 SRHVORBDDQRLTE-UHFFFAOYSA-N 395.528 3.666 0 40 GHAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c(C(F)(F)F)c1 42792753 PUHYJWCPWGTRFQ-UHFFFAOYSA-N 389.351 3.521 0 40 GHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(COc2ccccc2)o1 24002147 DCBGFJDKVKQLIO-UHFFFAOYSA-N 398.503 3.624 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)cc1 12554148 ZSGQYVNWGSHWSW-UHFFFAOYSA-N 394.519 3.706 0 40 GHAB CCOc1cc2c(cc1CSCCC(=O)Nc1cc(C)on1)O[C@@H](C)C2 24835179 PPYATHGJEDTHPZ-LBPRGKRZSA-N 376.478 3.967 0 40 GHAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc(-c2ccc(F)cc2)[nH]n1 25122064 HYZZKYFSYQBHEE-UHFFFAOYSA-N 378.407 3.591 0 40 GHAB Cc1c(C(=O)OC[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cnn1C 78822674 CIDCYMGAPMSHGH-CRAIPNDOSA-N 395.425 3.987 0 40 GHAB COc1ccccc1-c1cc(COC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)on1 26286389 WYHHXGFPIYNMNH-XCLFUZPHSA-N 381.384 3.622 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc(C)cc1 113957433 HXPPUYPLXRJZIZ-QAPCUYQASA-N 392.496 3.556 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 3288784 GFFNEEJQJKEHLO-XMHCIUCPSA-N 381.476 3.796 0 40 GHAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1cc(-c2ccco2)[nH]n1 28230245 MEIKBAUVMDNBPL-UHFFFAOYSA-N 385.786 3.959 0 40 GHAB Cc1cc(C)nc(SCC(=O)Nc2nc3c(F)c(F)c(F)cc3s2)n1 3275384 RUMYLZFMDATYNM-UHFFFAOYSA-N 384.408 3.851 0 40 GHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113951694 VEXCFDSFTXOIMG-OAQYLSRUSA-N 381.520 3.851 0 40 GHAB COC(=O)c1cc2cc(NS(=O)(=O)c3cc(C)ccc3OC)ccc2s1 20029838 CWODKMSQMGUYGJ-UHFFFAOYSA-N 391.470 3.806 0 40 GHAB O=C(NCc1cccs1)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 23142902 YYFAMAGEOGSKSB-AWEZNQCLSA-N 384.530 3.799 0 40 GHAB CCOC(CSc1nc(N)c2c3c(sc2n1)CO[C@@H](C(C)C)C3)OCC 2214756 QCRXDRGJOBFLQE-GFCCVEGCSA-N 397.566 3.862 0 40 GHAB COc1ccc(CCNc2cc(C)nc3c4c(C)cc(C)nc4nn23)cc1OC 2228491 CHIYFQYONZOMDR-UHFFFAOYSA-N 391.475 3.875 0 40 GHAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1 12753365 KPXONBARAHUPKJ-SFHVURJKSA-N 379.287 3.797 0 40 GHAB CSc1nc(N)nc2sc(C(=O)c3ccc(Br)cc3)c(N)c12 2340216 TWLZFCIQPJSNJA-UHFFFAOYSA-N 395.307 3.571 0 40 GHAB Cc1ccc(Sc2ncccc2C(=O)NCc2nnc3ccccn23)cc1C 12755780 XJHDDMCRZHHCDL-UHFFFAOYSA-N 389.484 3.822 0 40 GHAB C[C@H](c1ccccc1)n1cnnc1S[C@@H](C(=O)NC1CC1)c1ccccc1 48355995 LLEDYSMDXZOKJD-DNVCBOLYSA-N 378.501 3.999 0 40 GHAB CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 12857339 RPUDERFKSLGSDT-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB CSCC[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)O 12985883 ITSPMXNOBKYVNG-DLBZAZTESA-N 375.515 3.843 0 40 GHAB COc1ccc([C@H](CNc2cnn(-c3ccccc3)c(=O)c2Cl)N(C)C)cc1 13096045 YLVDRKDFAAICTQ-IBGZPJMESA-N 398.894 3.609 0 40 GHAB CCN(CC)[C@@H](CNC(=O)CCc1cc(OC)cc(OC)c1)c1ccccc1 13013115 IJJLVGPRNXDLCU-QFIPXVFZSA-N 384.520 3.836 0 40 GHAB O=C(OCc1cc(-c2cccs2)on1)c1ccc(CN2CCCC2=O)cc1 18378072 CMFCRABYWSDXMN-UHFFFAOYSA-N 382.441 3.883 0 40 GHAB CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCc1ccccc1 4064488 ICOJOLMSUJRHHA-FQEVSTJZSA-N 380.444 3.847 0 40 GHAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)c(OC)c1 5016655 ZXPXGCMZZGSDLB-UHFFFAOYSA-N 396.399 3.810 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 4285797 WDSBLRDJORDHQK-WCQYABFASA-N 391.562 3.650 0 40 GHAB Nc1c(Cl)cc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 65593840 ZRJLHZPTDMJLMO-UHFFFAOYSA-N 393.679 3.641 0 40 GHAB Oc1nc(CSc2n[nH]c(COc3ccc(Cl)cc3)n2)nc2ccccc12 408581582 JDCSGGCQRCAMMR-UHFFFAOYSA-N 399.863 3.978 0 40 GHAB COc1cc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cc(Cl)c1OC(C)C 5489242 NGKQATDJJZMMDR-CZUORRHYSA-N 397.899 3.988 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 6551903 YTGVUHPHBUCMAG-UHFFFAOYSA-N 383.473 3.696 0 40 GHAB COc1cccc(CNC(=O)CCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 4681848 LRBPMNSVYIDUJO-SGGRRFJASA-N 398.547 3.813 0 40 GHAB CCNC(=O)NC(=O)CNc1cc(C(F)(F)F)ccc1NC1CCCCC1 9218563 ROGVFLMVWJXRKZ-UHFFFAOYSA-N 386.418 3.708 0 40 GHAB COc1ccc([C@@H](C)NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1F 7077772 NOXZEWOCTXSMIF-LLVKDONJSA-N 392.814 3.663 0 40 GHAB Cc1ccc(NC(=O)CCc2ccco2)cc1S(=O)(=O)N1CCCCCC1 15312962 KFDUATANSXVFKB-UHFFFAOYSA-N 390.505 3.724 0 40 GHAB O=C(NC(C1CC1)C1CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 67591013 HNOQABHFWYWWCM-MRXNPFEDSA-N 379.298 3.721 0 40 GHAB CC(C)(CNC(=O)N1CC[C@@H](Nc2ccccc2)C1)c1ccc2c(c1)OCCO2 67637737 WACCVUDTDUGNFU-LJQANCHMSA-N 395.503 3.631 0 40 GHAB O=C(/C=C/c1ccccc1Br)N1CCCCC[C@H]1c1ncon1 96012146 NACYQDFHOAPCJT-FEAKQIBJSA-N 376.254 3.989 0 40 GHAB Cc1cc(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)no1 9313728 NZERKJVGDFRZQY-OAQYLSRUSA-N 390.443 3.902 0 40 GHAB CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1 16752306 CKUVALHSZFCVIO-HXUWFJFHSA-N 393.439 3.509 0 40 GHAB Cc1noc(C)c1CCC(=O)Nc1n[nH]c(CCCc2c[nH]c3ccccc23)n1 79490144 XYAYVVLSUVKGGF-UHFFFAOYSA-N 392.463 3.637 0 40 GHAB Cc1cc(Br)ncc1NC(=O)c1ccn(-c2cccc(F)c2)n1 72306575 WOIVWOCEBUXDNP-UHFFFAOYSA-N 375.201 3.730 0 40 GHAB COc1ccc(OC)c(N(Cc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 408625149 IFNLVZVSPMWAGA-UHFFFAOYSA-N 390.288 3.977 0 40 GHAB Cn1cncc1Cc1nc2ccc(-c3cccc(C(F)(F)F)c3)cc2c(=O)[nH]1 95466454 VGWLVQPXNKMCKZ-UHFFFAOYSA-N 384.361 3.933 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)Nc1cc(Cl)ccc1F 95461238 WPFJOGUPWLTMBP-UHFFFAOYSA-N 386.814 3.859 0 40 GHAB Cc1csc(N2CCCN(CC(=O)Nc3cccc(Cl)c3C)CC2)n1 60040029 FPACQVXESUGAQR-UHFFFAOYSA-N 378.929 3.564 0 40 GHAB CC(C)CN(C)S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 95993770 DFIWZUCSRQNQCG-UHFFFAOYSA-N 376.482 3.575 0 40 GHAB CCn1nc(C)c(CNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)c1C 95993183 NMVCQTROODAAMJ-GOSISDBHSA-N 383.540 3.643 0 40 GHAB Cc1ccc(OCCSCc2nc(N)nc(Nc3ccc(F)cc3)n2)cc1 9909606 TVESFGFEBOUNHD-UHFFFAOYSA-N 385.468 3.957 0 40 GHAB CN1CC2(CCN(Cc3cccs3)CC2)c2nn(-c3ccccc3)cc2C1=O 306132931 LWQVWGDDWJHXII-UHFFFAOYSA-N 392.528 3.553 0 40 GHAB COc1ccc(Cn2nc(I)c3c(Cl)ccnc32)cc1 117603382 KFOPCQPITVEHAB-UHFFFAOYSA-N 399.619 3.746 0 40 GHAB Cc1cc(OCC(=O)N2N=C(C(C)C)C[C@]2(O)C(F)(F)F)ccc1Cl 409055133 KBZOWVGZKKSKSO-HNNXBMFYSA-N 378.778 3.522 0 40 GHAB Cc1csc(NC2CCN(C(=O)[C@H](C)[C@@H]3OCCc4sccc43)CC2)n1 519439070 DFQKQNJNYYNFPO-DYVFJYSZSA-N 391.562 3.866 0 40 GHAB NC(=S)c1ccc2oc(-c3ccc(I)cc3)nc2c1 73634121 VVSLRKGRDOMJKO-UHFFFAOYSA-N 380.210 3.734 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1 32610022 WJWOVEIZXNGFKE-UHFFFAOYSA-N 395.843 3.533 0 40 GHAB CCCOc1ccc(C(=O)N[C@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1 218983199 YPAWTJIQUAPJQK-LJQANCHMSA-N 375.490 3.760 0 40 GHAB O=C(Nc1ccnc(-c2ccccc2)c1)N1CCC[C@H](N2CCCC2=O)CC1 562789892 IELPYDAKVYTNTK-IBGZPJMESA-N 378.476 3.757 0 40 GHAB COc1ccc(CNC(=S)Nc2ccc(Sc3ncccn3)nc2)cc1 223927590 HLRIYELYGKMQTL-UHFFFAOYSA-N 383.502 3.518 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C 223492225 XBHMQZUIVJNHLV-WOJBJXKFSA-N 377.517 3.605 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 44850137 ZXDKWWWUHPFVKQ-IBGZPJMESA-N 387.476 3.965 0 40 GHAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OCC)cc2)cc1Cl 224607086 CKVLHVHFNILTCY-UHFFFAOYSA-N 397.880 3.741 0 40 GHAB C[C@H]1CN(C(=O)C2CCN(C(=O)Nc3cccc4ccccc34)CC2)C[C@H](C)O1 47698178 SQQDOTDOLZJMAK-IRXDYDNUSA-N 395.503 3.720 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 224879734 XBUHAASTUDHSAA-GOSISDBHSA-N 384.495 3.929 0 40 GHAB Cc1ccc(C(=O)NCc2ccccc2)cc1N(C)S(=O)(=O)c1ccccc1 224287413 XZGPKYIWPRPCTD-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB CCO[C@@]1(C(=O)Nc2ccc(OCC(=O)N3CCCC3)cc2)CCC[C@H](C)C1 225713924 RZOFRZNWRZJGEK-JTSKRJEESA-N 388.508 3.612 0 40 GHAB O=C(Cc1csc(-n2cccc2)n1)NCCn1ccc2c(Cl)cccc21 95477981 VPOUHSIMBZJULZ-UHFFFAOYSA-N 384.892 3.901 0 40 GHAB CC(=O)N1CCC[C@@H]2N(C(=O)c3ccc(-c4scnc4C)nc3)CCC[C@@]21C 257275224 NOKPTIKFBDAAPN-RXVVDRJESA-N 398.532 3.519 0 40 GHAB C=CCOc1ccc(C=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 254617668 STUNMBYZIAEJDN-UHFFFAOYSA-N 395.871 3.584 0 40 GHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CCC(=O)O)N1c1cccc(C(F)(F)F)c1 257256765 KMTTZUNUOMUDDT-HOTGVXAUSA-N 398.425 3.919 0 40 GHAB Cn1cc([C@@H]2CN(C(=O)NCCc3ccc(C4CCCCC4)cc3)CCO2)cn1 661524365 OGGYICDZHHMLLG-QFIPXVFZSA-N 396.535 3.793 0 40 GHAB C[C@H](CNC(=O)c1cc(C(F)(F)F)ccn1)c1nc(-c2ccccc2)no1 1637593779 KUENOZHXFXTOGA-LLVKDONJSA-N 376.338 3.684 0 40 GHAB Cn1ncc(C2CCC2)c1C(=O)N1CCC([C@@H](CC(=O)O)c2ccccc2)CC1 621542731 MVKWNTGNRPPMFP-IBGZPJMESA-N 395.503 3.798 0 40 GHAB C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)C1 623221097 HTDFYUNWYINKME-ZWNOBZJWSA-N 398.454 3.957 0 40 GHAB Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)NCC(C)(C)c1ccc2ccccc2c1 585123260 NZQVSHLDSHSKDJ-FPOVZHCZSA-N 392.503 3.680 0 40 GHAB CC[C@@H](NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1 45404808 CRIXYSIXYPINPC-SWLSCSKDSA-N 377.838 3.975 0 40 GHAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 5075562 LOYFIHQGVZZJTM-UHFFFAOYSA-N 388.489 3.658 0 40 GHAB COc1ccc(C(=O)CSc2nnc3ccc(-c4ccc(F)cc4)nn23)cc1 5168055 RVDWOHMNBJGUFN-UHFFFAOYSA-N 394.431 3.914 0 40 GHAB Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4ccccc4)nnc12)OCO3 5986732 KUGXMSUIYVSPDV-UHFFFAOYSA-N 392.440 3.650 0 40 GHAB CC[C@@H](CN1CCCC1)NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 12362859 GAIRHVNEJHDYFO-INIZCTEOSA-N 377.941 3.997 0 40 GHAB CC[C@H](C(=O)Nc1cccc(SC)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713496 BNVHTDNVMJEPIB-GOSISDBHSA-N 392.546 3.900 0 40 GHAB CCOC(=O)/C(C(=N)SCc1ccccc1)=C1\NN=C(c2ccccc2)O1 16682000 FBKMMXMCJHPLFH-YSIWPPCISA-N 381.457 3.653 0 40 GHAB Fc1cccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 19293821 RSBDMLXXPRHKHD-VNQPRFMTSA-N 383.393 3.617 0 40 GHAB CCC(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CCN(CC1CCCCC1)C2 19498862 QRADERUOQQYNGU-IBGZPJMESA-N 386.540 3.584 0 40 GHAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1OC)N1CCc2ccccc2C1 19499725 YNNCQOYASQSNSS-NRFANRHFSA-N 391.519 3.975 0 40 GHAB Fc1ccccc1-c1ccccc1CN1CCC[C@H]1c1nnc2n1CCNC2 19705513 XGNGHYCMTRZFCD-FQEVSTJZSA-N 377.467 3.525 0 40 GHAB COc1ccc([C@@H](C)NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1 19937728 UUTNGVQEHYOIMV-CYBMUJFWSA-N 397.862 3.519 0 40 GHAB CCOc1ccc2[nH]c(C(=O)N3CCC[C@](O)(c4ccccc4OC)C3)cc2c1 12290427 HQRAARDMZLEDGL-HSZRJFAPSA-N 394.471 3.699 0 40 GHAB OCC[C@@H]1CCCCN1Cc1nc(-c2cccnc2OC2CCCCC2)no1 12365422 MPNRBPIYFFSNFQ-INIZCTEOSA-N 386.496 3.580 0 40 GHAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1ccc(F)cc1Cl 252485274 GPZAGXRRMUXSNK-UHFFFAOYSA-N 388.874 3.547 0 40 GHAB C[C@@]1(C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1(Cl)Cl 6059340 XIDJTQLJEHIVNE-LBPRGKRZSA-N 381.053 3.515 0 40 GHAB CN(CCOc1cccc(Cl)c1)C(=O)C[C@H]1Sc2ccccc2NC1=O 21709912 PVIKGOQYZNMDIJ-QGZVFWFLSA-N 390.892 3.680 0 40 GHAB O=C(NCc1cccc(C(F)(F)F)c1)N1CCN(Cc2cccs2)CC1 25987943 CFAUKSAZEPTVNS-UHFFFAOYSA-N 383.439 3.794 0 40 GHAB CCc1c(C)[nH]c2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc12 2037873312 YGVSAHVYWDHMLA-UHFFFAOYSA-N 376.865 3.811 0 40 GHAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3c(C(C)C)noc3C)C2)cc1C 2037913122 UNNYLQKBBJIPFI-JOCHJYFZSA-N 386.492 3.769 0 40 GHAB CC(C)n1cc(CN2CC[C@H]3[C@@H]2CC(=O)N3Cc2ccc(F)cc2Cl)cn1 1565553168 MPRNUWHUYCGVRE-OALUTQOASA-N 390.890 3.632 0 40 GHAB CCOc1ccccc1C(=O)Oc1coc(CSc2nccc(C)n2)cc1=O 4377195 YWNPIVCNLRBUMM-UHFFFAOYSA-N 398.440 3.648 0 40 GHAB CC(C)C(=O)N1CCCc2cc(NS(=O)(=O)c3cccc(F)c3)ccc21 5099656 CJEJWYXILMBVNX-UHFFFAOYSA-N 376.453 3.562 0 40 GHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc21 8840720 NRKZOADRYXZINQ-UHFFFAOYSA-N 394.443 3.845 0 40 GHAB CC(=O)c1cccc(NC(=O)Cn2c(C)nc3c(sc4ccccc43)c2=O)c1 16841909 NNYGMEHSTILGDP-UHFFFAOYSA-N 391.452 3.761 0 40 GHAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 585146961 KXPKDBKFYJXLHD-ZDUSSCGKSA-N 399.800 3.771 0 40 GHAB O=C(Cc1ccc(Br)cc1)N1CC[C@H](N2CCc3ccccc3C2)C1 225686328 MFYUNFIUVVHGHR-FQEVSTJZSA-N 399.332 3.651 0 40 GHAB CC[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1cccc(C(F)(F)F)c1 13572978 PTKBFZVQEHDQSR-LLVKDONJSA-N 381.383 3.881 0 40 GHAB COC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCCCCC3)nc2)c1 40151752 YLYBDKXRFVAJFD-UHFFFAOYSA-N 397.479 3.962 0 40 GHAB Cc1cc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c2c(C)noc2n1 50474208 VJEKXURTRBGXHQ-UHFFFAOYSA-N 378.432 3.604 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)c1C 17666706 RSJRJUMIAIWPGG-UHFFFAOYSA-N 393.823 3.590 0 40 GHAB COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(F)cc1 20733735 QGMXCKYWKKROBR-MRXNPFEDSA-N 380.379 3.869 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 1324847 GYYKMHUBSXRQNI-KBXCAEBGSA-N 392.546 3.535 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)no3)C2)cc1OC 1364490 IHYYOPBLSRNGSB-CQSZACIVSA-N 399.472 3.835 0 40 GHAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c(C)c1 2625433 BWKYCPGJOQXNGU-NRFANRHFSA-N 399.878 3.671 0 40 GHAB CC(C)(NC(=O)c1cccc(NC(N)=O)c1)c1ccc(Br)cc1 32398844 LMGWMCSRZHEFIA-UHFFFAOYSA-N 376.254 3.605 0 40 GHAB OCCOCCOCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1 4217313 SCMPXORBOTWFTI-UHFFFAOYSA-N 381.516 3.610 0 40 GHAB in-man CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N1CCCN(C(=O)c3ccsc3)CC1)C2 102137439 YESOOJLWPYZIDI-FVJLSDCUSA-N 389.565 3.820 0 40 GHAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)s1 6680082 KLWRKHBICHUWHG-UHFFFAOYSA-N 392.424 3.626 0 40 GHAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NCc1ccccc1OC(F)F 10115245 LXGMPUQIRVEDMF-UHFFFAOYSA-N 380.416 3.936 0 40 GHAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)CSc1ccccc1 10119910 FMVXRZUDKPPJNR-UHFFFAOYSA-N 397.485 3.592 0 40 GHAB Cc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 8605538 CXLBGSOYROJSIA-UHFFFAOYSA-N 383.473 3.864 0 40 GHAB Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 52638891 OVUZVEHHFDADTG-UHFFFAOYSA-N 382.508 3.913 0 40 GHAB CC(C)c1ccc(OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 10781990 KMJFCKDZRSDNOD-UHFFFAOYSA-N 380.488 3.610 0 40 GHAB O=C1c2ccccc2N[C@]2(C(=O)Nc3ccc(F)cc32)N1c1ccc(F)cc1 8428558 SZEJMEHAZYOUIE-NRFANRHFSA-N 377.350 3.842 0 40 GHAB O=C(Nc1cccc(N2CCCC2)c1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 47290014 UOOKEWULMXIPPC-HXUWFJFHSA-N 391.515 3.707 0 40 GHAB Cc1ccc(-c2nc(C)c(C(=O)N(C)Cc3nnc4n3CCCCC4)s2)o1 42359462 PMUCQLQKSPESJP-UHFFFAOYSA-N 385.493 3.610 0 40 GHAB CCOc1cc(/C=C2\NC(=O)NC2=O)cc(Cl)c1OCc1cccc(F)c1 12411435 ZRPZUBTZDPFYSY-NVNXTCNLSA-N 390.798 3.637 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(C)nc3c2c(C)nn3C)c1 25457188 ZPRLWAGSEANPOG-SFHVURJKSA-N 394.475 3.580 0 40 GHAB CCCS(=O)(=O)Nc1cccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 12544809 AAWTYUXGDOVVCH-KGLIPLIRSA-N 392.443 3.689 0 40 GHAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1 57355011 BJRFCGWYTDGIFA-QGZVFWFLSA-N 381.520 3.854 0 40 GHAB CSCC[C@H](N)c1nnc(SCC(=O)Nc2cccc(Cl)c2C)o1 1878587 RNNOKXICRPJXBD-NSHDSACASA-N 386.930 3.515 0 40 GHAB Cc1ccc(-n2c(-c3ccccc3)cnc2Sc2ccc3nnnn3n2)cc1 12534934 QALMFCYZXBMXCA-UHFFFAOYSA-N 385.456 3.832 0 40 GHAB C[C@H](Sc1nc2ncccn2n1)C(=O)NC(c1ccccc1)c1ccccc1 10073957 KPURYFSBBSGPMY-HNNXBMFYSA-N 389.484 3.511 0 40 GHAB O=C(c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1)N1CCOCC1 3239330 YWBMQYZXBOPVJF-UHFFFAOYSA-N 399.397 3.613 0 40 GHAB Clc1ccccc1CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 58147254 SLWBFRHRLFTEAH-IBGZPJMESA-N 384.955 3.769 0 40 GHAB O=C(Nc1cc(-c2cccc3c2OCCO3)no1)N(Cc1ccccn1)C1CC1 58293568 IQJZIVWAXYCPFK-UHFFFAOYSA-N 392.415 3.704 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2OC(C)C)c2ccc(Cl)cc21 10335459 OHXCBQNFUOVBLQ-NRFANRHFSA-N 387.863 3.841 0 40 GHAB CCCN1C(=O)[C@@](O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21 2347358 UGSRJFQFTFMALF-IBGZPJMESA-N 385.261 3.923 0 40 GHAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 12752526 BBLNWUPNPIBALF-VXGBXAGGSA-N 389.429 3.790 0 40 GHAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)NC2CC2)cc1 12786107 JEJCWVQXJZUNCE-UHFFFAOYSA-N 385.272 3.686 0 40 GHAB COc1ccc(C)cc1-n1nnnc1SCCOc1ccc(Cl)cc1 3536708 CCLFCOFQDQMMJO-UHFFFAOYSA-N 376.869 3.804 0 40 GHAB CSCC[C@H](NC(=O)Cc1coc2cc(C)ccc12)c1nnc2ccccn12 12926813 UKZRAVBYAWHSSU-KRWDZBQOSA-N 394.500 3.937 0 40 GHAB CCC1(C)CC(=O)N(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C(=O)C1 12997241 LKFRDPTXJBZVQZ-LJQANCHMSA-N 381.472 3.659 0 40 GHAB CC(C)OC(=O)[C@@H](C)n1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 5009922 YHQWNCWGQXMLFV-VXGBXAGGSA-N 377.510 3.517 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)N=c3[nH]c4ccccc4[nH]3)s2)cc1OC 13736443 GATNRJVLEOSPPF-UHFFFAOYSA-N 394.456 3.686 0 40 GHAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2cccc3ccccc23)C1=O 8777482 MMDDMVPEICNBSJ-VWLOTQADSA-N 398.462 3.978 0 40 GHAB C[C@@H](Oc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cn1)c1ccccc1 65477295 CPUOMOYCKFUXKJ-APWZRJJASA-N 379.460 3.847 0 40 GHAB COc1cc(OC)cc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 4414542 DKUZAKXAEPCSEZ-UHFFFAOYSA-N 389.411 3.837 0 40 GHAB CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2F)nnc1-c1ccco1 4516222 VPLMEZREWTUYFF-NSHDSACASA-N 392.431 3.806 0 40 GHAB CCOC(=O)c1sc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c(C(=O)OCC)c1C 4628341 ZHMMLVNRGGBWAS-XQQFMLRXSA-N 379.478 3.785 0 40 GHAB COc1ccc(C(=O)Oc2ccccc2C(C)=O)cc1I 4698694 ADBYENUVADUTIX-UHFFFAOYSA-N 396.180 3.722 0 40 GHAB C[C@H](NC(=O)CSc1nc2ccccc2c(=O)[nH]1)C12CC3CC(CC(C3)C1)C2 4607040 WIUYRYTXRYEOSB-QRYOHXEKSA-N 397.544 3.736 0 40 GHAB COc1ccc2c(C)c(CC(=O)NCc3ccccc3Cl)c(=O)oc2c1C 4742796 HNSLDNVVVCLUQZ-UHFFFAOYSA-N 385.847 3.931 0 40 GHAB CCN(Cc1nc(-c2ccccc2)no1)C(=O)/C=C/c1ccc(OC)c(OC)c1 6760162 LCIUIJHAAJRPFV-ACCUITESSA-N 393.443 3.816 0 40 GHAB O=C(Nc1ccccc1C(=O)NCc1nc(-c2ccccc2)no1)c1ccco1 6760063 TYZOALRTHCPJJT-UHFFFAOYSA-N 388.383 3.512 0 40 GHAB Cc1ccc(Nc2nnc(SCc3ccco3)n(-n3cccc3)c2=O)c(C)c1 28536192 MDVZHJGIKFTKIJ-UHFFFAOYSA-N 393.472 3.997 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccc(C)cc1)S2 6811785 PYQLDQLNCLLYPZ-ZWKOTPCHSA-N 379.489 3.547 0 40 GHAB Cn1c(=O)c2c(-c3ccccc3F)n(Cc3ccc(Cl)cc3)cc2n(C)c1=O 15082291 SSDMEPZTZQVXMZ-UHFFFAOYSA-N 397.837 3.547 0 40 GHAB O=c1c2ccccc2nc(SC[C@@H]2CC2(Cl)Cl)n1C[C@@H]1CCCO1 7171647 UXUBFFJJXQCDAI-RYUDHWBXSA-N 385.316 3.861 0 40 GHAB CC[S@@](=O)c1ccccc1C(=O)OCC(=O)Nc1ccc2ccccc2c1 7135401 HADCWYJHPYPJIS-MHZLTWQESA-N 381.453 3.763 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(SC)cc2)c1C 7412347 GNICRDAUTMRULG-CYBMUJFWSA-N 389.473 3.958 0 40 GHAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(C)Cc1ccc2c(c1)OCO2 7640850 YCWKDROLFYGQFS-GFCCVEGCSA-N 396.365 3.773 0 40 GHAB Cc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)cc1C 9237902 GVDNXBGSOJQSSI-MSOLQXFVSA-N 379.489 3.601 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 7917601 YFWRXEQHQJTKKR-UHFFFAOYSA-N 389.440 3.964 0 40 GHAB Cc1[nH]c2ccc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2c1C 9460399 YQNNYJKIRONYNC-UHFFFAOYSA-N 388.471 3.905 0 40 GHAB Cc1ccc(-c2csc(CN3C(=O)c4ccccc4S3(=O)=O)n2)s1 25862813 APFXYRLBNKEZQS-UHFFFAOYSA-N 376.484 3.525 0 40 GHAB Cc1ccccc1OCc1nn(CN2CCOCC2)c(=S)n1-c1ccccc1 19873242 XIEYTUNEYIIGHQ-UHFFFAOYSA-N 396.516 3.580 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1C 67322252 ZPGAJHAYRMKEPR-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB C[C@@H](NC(=O)N1CCO[C@H](c2ccccc2)C1)c1ccc(-n2ccnc2)cc1 95350795 BYNQRZLEZKRIPD-UTKZUKDTSA-N 376.460 3.716 0 40 GHAB CN(c1nn2c(=O)ccnc2s1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 95463633 XEFVROZEKGBRGU-ZIAGYGMSSA-N 394.422 3.942 0 40 GHAB O=C1CCCN1CC[C@H]1CN(Cc2cc3ccccc3c(=O)[nH]2)c2ccccc21 95945709 CJTSWCNAESTXBB-SFHVURJKSA-N 387.483 3.644 0 40 GHAB CCc1c(C(=O)N(C)Cc2ccc(OC)c(F)c2)cnn1Cc1ccccc1 95949263 FDZTXFQNRHFWHH-UHFFFAOYSA-N 381.451 3.914 0 40 GHAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(C)n3)C2=O)cc1 409182593 NBMZOZCABYPXRQ-GZTJUZNOSA-N 381.457 3.627 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1 89690599 PBFORRGEMDYCIO-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)n[nH]c3C)cc2)cc1 408623724 RQVCXXRIVNIRHB-UHFFFAOYSA-N 394.500 3.753 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=O)CSc1ccc(OC)c(OC)c1 30864228 JMRHYGWRXVFDAP-MRXNPFEDSA-N 380.554 3.567 0 40 GHAB CCOc1ccc(NC(=O)CSc2noc(-c3ccc(OC)cc3)n2)cc1 32612000 CEYXUFLELYBECV-UHFFFAOYSA-N 385.445 3.875 0 40 GHAB Cc1cc(CN2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)ccn1 527539992 URHVKPQTTPJNSM-UHFFFAOYSA-N 380.410 3.858 0 40 GHAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN([C@H](C)Cc2ccccc2F)C1 72395781 OVBSVHJFZZWAJS-WAIKUNEKSA-N 382.479 3.586 0 40 GHAB Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1cccnc1 33677161 GOPUSQNXPHRJEL-VCHYOVAHSA-N 390.399 3.584 0 40 GHAB COc1ccc(-c2csc(Nc3nc(=O)[nH]c4ccccc34)n2)cc1OC 35682869 GROBDXABVQORRV-UHFFFAOYSA-N 380.429 3.807 0 40 GHAB CCCOc1ccc(C(=O)N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1 218983171 YPAWTJIQUAPJQK-IBGZPJMESA-N 375.490 3.760 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccco1 39560672 ZYQHDAPHOFBVAS-DSKINZAPSA-N 394.494 3.787 0 40 GHAB biogenic,in-vitro CC1CCN(C(=O)CN2CCC[C@H](c3cccc(Nc4ccccn4)n3)C2)CC1 72375955 WVZVGTCQJVIAIG-IBGZPJMESA-N 393.535 3.658 0 40 GHAB O=C(Nc1ccccc1OCc1cccc(Cl)c1)N1C[C@H]2COC[C@@H](C1)O2 564741017 NEQRNGUTHKPNBF-CALCHBBNSA-N 388.851 3.551 0 40 GHAB Fc1cc(Br)ccc1-c1nnc2sc(-c3cccnc3)nn12 61720837 WFTOHQWWDKFCEW-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB CCc1ccc(N([C@H](C)C(=O)Nc2ccccc2SC)S(C)(=O)=O)cc1 220277043 PDYAXBVXZODAFF-CQSZACIVSA-N 392.546 3.764 0 40 GHAB CCCCOc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40312894 NHJMFUDVGLCNLG-QFIPXVFZSA-N 393.443 3.646 0 40 GHAB biogenic COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)c1 47212132 GCRIPYSRNMZJBN-UHFFFAOYSA-N 386.429 3.692 0 40 GHAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 47156266 JWMAKFKZUWGCLA-MRXNPFEDSA-N 380.469 3.978 0 40 GHAB CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 41076954 UOYQRBYCJCUOJT-UHFFFAOYSA-N 393.443 3.947 0 40 GHAB CCOc1cccc(NC(=S)NCc2nc(-c3ccc(OC)cc3)no2)c1 225824171 POTJDYBOHHTHPC-UHFFFAOYSA-N 384.461 3.631 0 40 GHAB O=C(Cn1cnc2ccccc21)N1CCC(c2nnc(-c3ccco3)s2)CC1 49362964 QSOQHJGHSGHQAW-UHFFFAOYSA-N 393.472 3.554 0 40 GHAB COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)C2CC2)cc1 40131345 PNFTXIFXCYLJJI-UHFFFAOYSA-N 387.501 3.682 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H](NCCc2cccc(Br)c2)C1 89212644 HIYHTVMFEBBJAI-MRXNPFEDSA-N 383.330 3.981 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 224557375 IUPCDYKPQGCUJU-OAQYLSRUSA-N 382.504 3.571 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c1N(C)C(=O)C2(C)C 96182162 HJNDUHXIFSLAAD-UHFFFAOYSA-N 378.881 3.703 0 40 GHAB COc1cccc(-c2noc(CNC(=O)c3ccc(Cl)cc3Cl)n2)c1 95482188 VEZODZBJARTPMR-UHFFFAOYSA-N 378.215 3.982 0 40 GHAB CCCOc1ccc(C=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 254496252 WMCIBRQNBXIUJL-UHFFFAOYSA-N 397.887 3.808 0 40 GHAB O=C(c1cncnc1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257327944 XDLYQDIGQQFXKY-HNNXBMFYSA-N 382.851 3.729 0 40 GHAB COc1ccc(/C=C/C(=O)N(Cc2cnc3ccccn23)C2CC2)cc1OC 96097122 VVXIWGSLSZCBBK-YRNVUSSQSA-N 377.444 3.556 0 40 GHAB Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)c1 96119841 CRWWMMMAPRZLAJ-UHFFFAOYSA-N 377.512 3.828 0 40 GHAB COc1ccc(CCNC(=O)NC[C@@](C)(OC)c2cccc(Cl)c2)cc1 96393282 CEGOTCWPUYXEON-HXUWFJFHSA-N 376.884 3.752 0 40 GHAB c1cc(-c2cnc3cc(CCC4CCNCC4)ccn23)nc([C@@H]2CCCNC2)c1 585263106 KMTXDSSKNIZADW-HXUWFJFHSA-N 389.547 3.796 0 40 GHAB C/C(Cl)=C/CNC(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1 72396920 DVFFTUNNTRRVLP-PQMHYQBVSA-N 377.897 3.519 0 40 GHAB CC(C)Oc1ccc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)cn1 655265847 MSFPHDXSBNJCLY-UHFFFAOYSA-N 376.460 3.832 0 40 GHAB COc1cc(/C=C2\NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OC(F)F 652927 YADCDBSGIWSJQX-ZROIWOOFSA-N 390.411 3.867 0 40 GHAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccccc2OC)C1=O 5304603 FMNFFXSRNPGSBO-QFIPXVFZSA-N 398.434 3.655 0 40 GHAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc(C(=O)OC)c2)C1=O 5307121 BVTYVRNMOKWYOC-JOCHJYFZSA-N 398.434 3.750 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)COc2cc(OC)cc(OC)c2)cc1 5497339 QOXFIBVBJIKHGC-UHFFFAOYSA-N 387.432 3.678 0 40 GHAB COc1ccccc1NC(=O)CN1CCC(c2nc3cc(C)ccc3[nH]2)CC1 5626067 KIAAGGYCNLIWAR-UHFFFAOYSA-N 378.476 3.698 0 40 GHAB Cc1cc(C)c2cc(CN(C[C@H]3CCCO3)C(=O)c3ccccc3)c(=O)[nH]c2c1 5941242 RVHCWAXLLFCHSC-HXUWFJFHSA-N 390.483 3.966 0 40 GHAB CCc1nc2ccc(C(=O)NCc3noc(-c4ccccc4)n3)cc2nc1CC 12203017 XLKNWJQHMZBPOD-UHFFFAOYSA-N 387.443 3.735 0 40 GHAB Cc1ccc(CC(=O)N2CCC[C@H](c3nc(O)cc(-c4ccccn4)n3)C2)cc1 12256783 DAFSWYDSUMVIKA-SFHVURJKSA-N 388.471 3.501 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)cc2n1 12258016 UUPAQOYORPEIRX-KGLIPLIRSA-N 378.398 3.729 0 40 GHAB COc1cccc([C@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1 12292520 BLHAWXNGVAHDFH-LJQANCHMSA-N 395.421 3.731 0 40 GHAB Cc1cc(C)cc(OCC(=O)OCc2nc(N)c3c4c(sc3n2)CCCC4)c1 18272807 FTLHGDMHVPXHPH-UHFFFAOYSA-N 397.500 3.891 0 40 GHAB CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cc(C(C)(C)C)nn1C 19083788 CLVONKPJLCVEEJ-DBXWQHBBSA-N 398.526 3.559 0 40 GHAB COc1ccc(-c2cc(NC(=O)c3cnn(-c4ccc(F)cc4)c3)n(C)n2)cc1 19288932 DOHKCAUIDYPFCQ-UHFFFAOYSA-N 391.406 3.673 0 40 GHAB NC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)C2CCC2)C1 19368353 JOUFQEQFECDWIL-DEOSSOPVSA-N 394.490 3.929 0 40 GHAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CC=CCC2)[nH]c(=O)c1Cc1ccccc1 19579172 JXTWTRFSKZJMIR-ICSRJNTNSA-N 377.488 3.689 0 40 GHAB C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(-c2nc[nH]n2)c1 19661619 XPYBPJPHAIZVFZ-LLVKDONJSA-N 376.338 3.897 0 40 GHAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccnc1 6355938 KQOUYKOZKLBWEB-KIHMUJGBSA-N 385.265 3.950 0 40 GHAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)C[C@H]2CCCCO2)C1 12221165 BBKKRHCVOWZRKQ-SJLPKXTDSA-N 380.492 3.628 0 40 GHAB Cc1nc2ccccc2nc1N1CCC(CN(C)c2ncnc(C)c2F)CC1 1888913113 OYXPEUJKDQZQAK-UHFFFAOYSA-N 380.471 3.529 0 40 GHAB O=C(c1ccc2cc[nH]c2c1)N1CC[C@H](Oc2ccc(Br)cn2)C1 238955750 XXWUUEVBOMUPLB-HNNXBMFYSA-N 386.249 3.619 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)N4CCCCCC4)ncnc32)c(C)c1 4341731 APGZOSWXWNWZTM-UHFFFAOYSA-N 395.532 3.927 0 40 GHAB Cc1csc(SCc2cc(=O)c(OC(=O)Cc3ccc(F)cc3)co2)n1 4518846 JTVWRGSTBHUPKK-UHFFFAOYSA-N 391.445 3.984 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)c(C)c1 5099544 WNHHIWBYRBQQFV-UHFFFAOYSA-N 384.501 3.793 0 40 GHAB CC1=CC(C)(C)N2C(=O)[C@@]3(CN(C)C[C@@H]3C(=O)c3cccs3)c3cccc1c32 1857657211 LXTWAQNGXDVFAZ-HXOBKFHXSA-N 392.524 3.973 0 40 GHAB Oc1c([C@H](c2ccc(F)cc2)N2CCc3ccccc3C2)sc2ncnn12 22609761 BFRCUVAYFFBWKT-KRWDZBQOSA-N 380.448 3.783 0 40 GHAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)c1ccc(C(F)(F)F)nc1 1775967748 BSBNIEKBZOITTO-LBPRGKRZSA-N 382.363 3.885 0 40 GHAB C[C@@H](NC(=O)C(=O)NCc1ccc(C(=O)c2ccsc2)s1)c1ccccc1 206681184 MEMCGTNCWGFTOY-CYBMUJFWSA-N 398.509 3.534 0 40 GHAB O=C(NCc1cccc2ccccc12)NCC1CCN(C2CCOCC2)CC1 225566546 GBHUXAKXSJSTBH-UHFFFAOYSA-N 381.520 3.530 0 40 GHAB COc1cc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)cc(OC)c1 49004609 FWTHXKVIZBXGEX-UHFFFAOYSA-N 392.459 3.935 0 40 GHAB CCOC(=O)Cc1ccc(NCCC(=O)c2cc3ccccc3oc2=O)cc1 55142511 NQRKVPYHMDZOEN-UHFFFAOYSA-N 379.412 3.584 0 40 GHAB biogenic,in-vitro C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cc(OC)c(Cl)cc1OC 10430853 CDZTXLUUFBGLRA-UHFFFAOYSA-N 386.835 3.813 0 40 GHAB CCN1CCN(c2ccc(NC(=O)Cc3c(C)[nH]c4ccc(F)cc34)cc2)CC1 40070103 ILTXWBGASFCJFV-UHFFFAOYSA-N 394.494 3.939 0 40 GHAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCCC3)N1CCOc2ccccc21 30577056 AOGDCCIVJZTFIV-UHFFFAOYSA-N 389.455 3.552 0 40 GHAB Cc1ccc(C)c(-c2nn(CN3C[C@H](C)OC[C@@H]3C)c(=O)c3ccccc23)c1 45723519 AKARJUDKGYSTBE-ROUUACIJSA-N 377.488 3.747 0 40 GHAB CCOC(=O)CSc1nnc(CNc2cccc(C)c2)n1-c1ccccc1 877949 CMEICJOCOOICOX-UHFFFAOYSA-N 382.489 3.843 0 40 GHAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2 20820532 HNZPHLMQWVWIOS-UHFFFAOYSA-N 393.226 3.500 0 40 GHAB CCN(CC)[C@@H](CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2)c1ccccc1 60213221 JFRWCGLAUDVJGW-FQEVSTJZSA-N 396.531 3.935 0 40 GHAB Clc1nc(Cl)nc(SCCSc2nc(Cl)nc(Cl)n2)n1 1737457 XYBJDFUEOZYPSS-UHFFFAOYSA-N 390.108 3.555 0 40 GHAB C[C@@H]1CCc2c(sc3ncnc(N4CCN(Cc5cccc(O)c5)CC4)c23)C1 60349570 ZXXDTQVRCPPUGF-OAHLLOKOSA-N 394.544 3.844 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc(Br)c3)ccc12 3605882 CJIRYIHAVJIMBS-UHFFFAOYSA-N 388.217 3.881 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 4538964 JOOQVLBMQYRFKJ-UHFFFAOYSA-N 386.502 3.997 0 40 GHAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 4905125 YUQNJZJASIQUIZ-KIZRIRGWSA-N 375.468 3.848 0 40 GHAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cnc2c(cnn2C(C)C)c1 32866004 QZMPXULZLZXYHC-UHFFFAOYSA-N 386.839 3.770 0 40 GHAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 32889205 WVKIYFGFCGRWMN-QFBILLFUSA-N 396.487 3.746 0 40 GHAB COc1ccccc1CNC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 7398085 DJWHHPCVIKQDPE-MHZGPWMTSA-N 398.547 3.669 0 40 GHAB Cc1ccc(-c2c(C)sc3nc(CN4C[C@H](C)O[C@@H](C)C4)[nH]c(=O)c23)cc1 21742887 JPCNPMACVHYJKA-KBPBESRZSA-N 383.517 3.878 0 40 GHAB CC(C)COc1ccc(-c2nonc2NC(=O)COc2ccc(F)cc2)cc1 11915521 GBBAUFGKUFKZGE-UHFFFAOYSA-N 385.395 3.928 0 40 GHAB COc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)OC(C)C)C1=O 106746407 YFVPLPCLOUEILP-YVLHZVERSA-N 385.441 3.836 0 40 GHAB CCOc1ccc(CCC2CCN(C(=O)CCCNc3ncccn3)CC2)cc1 32928381 OCUWIUYUPGPPAK-UHFFFAOYSA-N 396.535 3.939 0 40 GHAB C[C@@H]1Cc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2N1S(C)(=O)=O 10324205 QXHWBAHMJZBWNS-SNVBAGLBSA-N 399.299 3.956 0 40 GHAB O=CNn1cnc2c(oc3nc(-c4ccccc4)cc(-c4ccccc4)c32)c1=O 642393 HKJNMTVTRFRPSH-UHFFFAOYSA-N 382.379 3.572 0 40 GHAB COc1ccc(Nc2ccccc2C(=O)NCCC(=O)N2CCCCCC2)cc1 58157359 CEDJVUXBTWSNIG-UHFFFAOYSA-N 395.503 3.961 0 40 GHAB COc1ccccc1S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 102832580 PTMYRGQUYYVKSG-HNNXBMFYSA-N 392.274 3.882 0 40 GHAB COc1cc(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc(OC)c1 59605716 XDNOQVAIBPOCGE-RMKNXTFCSA-N 381.476 3.567 0 40 GHAB Cc1nc(NC(=O)c2ccc(Br)s2)sc1-c1nccn1C 12544507 MPHHKGGAMZLQBA-UHFFFAOYSA-N 383.296 3.928 0 40 GHAB O=C1NC2(CCCCC2)C(=O)N1CN1CCC[C@H]1c1nc2ccccc2s1 23805436 KDPVLMOOGQMCBZ-HNNXBMFYSA-N 384.505 3.645 0 40 GHAB CC[C@@H](NCc1nc(=O)c2sccc2[nH]1)c1ccc(Br)cc1 23996002 ZYPLASARCYKJGP-GFCCVEGCSA-N 378.295 3.988 0 40 GHAB Fc1ccc(CNc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1 24148780 MYSDSVJKBONBQW-UHFFFAOYSA-N 398.507 3.763 0 40 GHAB CSc1ncc(C(=O)Nc2cccc(NC(C)=O)c2)n1-c1ccc(F)cc1 12535406 HREPYJFDPWSULF-UHFFFAOYSA-N 384.436 3.944 0 40 GHAB COc1ccc(NCC(=O)Nc2ccccc2OC(F)F)cc1OC(F)F 12527060 CYBKQDNHTLVKOB-UHFFFAOYSA-N 388.317 3.949 0 40 GHAB O=C(NC[C@@H]1COCCO1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 55845974 YRFVWWKKGDSQEC-GFCCVEGCSA-N 388.876 3.762 0 40 GHAB Cc1c(C(=O)OC[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cnn1C 107137910 CIDCYMGAPMSHGH-QAPCUYQASA-N 395.425 3.987 0 40 GHAB Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)o1 100116077 FFZJWVNDKSSNQB-SQZWAXCWSA-N 393.487 3.582 0 40 GHAB CCc1cccc(NC(=O)Cn2c(Nc3ccc(F)c(C)c3)nc(C)cc2=O)c1 57507724 PJHYZZHWJDPUHI-UHFFFAOYSA-N 394.450 3.944 0 40 GHAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1 3299813 DZGZSQFQORVIBF-CYBMUJFWSA-N 399.497 3.535 0 40 GHAB COc1ccc(CC(=O)N[C@H](C)c2cccc(Br)c2)cc1OC 20025346 XEVDFKWIHNTKEB-GFCCVEGCSA-N 378.266 3.886 0 40 GHAB COc1cc(-c2nn3c(CCc4ccccc4)nnc3s2)cc(OC)c1OC 10311880 DTEWSKDOGKERFD-UHFFFAOYSA-N 396.472 3.664 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 36396959 ODPORAAOEZVTCU-QGZVFWFLSA-N 397.500 3.695 0 40 GHAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(F)c1 2415613 KRKFRNKOKUQFLQ-HXUWFJFHSA-N 394.446 3.819 0 40 GHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11255738 RERMJCYTWDUTJZ-BLVKFPJESA-N 386.835 3.634 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)NC2CC2)c1 12885610 ZMCPMVXARJQOQO-UHFFFAOYSA-N 379.243 3.903 0 40 GHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1cc(F)cc(F)c1 12890527 XNDHKMHYOCTVGD-UHFFFAOYSA-N 389.427 3.713 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CCc3ncc(-c4ccccc4F)o3)ccc21 12867977 LWHYWWXIXOLLNP-UHFFFAOYSA-N 393.418 3.961 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)NCc1ccc(Cl)cc1 3497369 NPYJYICQGOHHCU-UHFFFAOYSA-N 384.819 3.777 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2ccc(SC)cc2)c1 3559222 WLJHMDYKNKILAG-UHFFFAOYSA-N 393.530 3.796 0 40 GHAB CN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cc2C1=O 12986371 SLIFRBBDXGXVFV-UHFFFAOYSA-N 399.378 3.566 0 40 GHAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2Cc2ccccc2)c1)[C@@H]1CCCO1 12987513 JJXQWGOUALFFHV-SFTDATJTSA-N 378.472 3.651 0 40 GHAB COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccc(OC)c(OC)c2)cc1 8739872 AQKKSCJMQBCGJZ-QGZVFWFLSA-N 393.443 3.681 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nnc(N3CCCCC3)n2C2CC2)cc1 8704488 SSYRBDXVDITVJF-UHFFFAOYSA-N 399.520 3.537 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)on1 8745124 NXUXJRFWYIHYQV-UHFFFAOYSA-N 389.456 3.767 0 40 GHAB CC[C@H]1CCc2c(sc(NC(=O)c3c(OC)cccc3OC)c2C(N)=O)C1 6122333 OMQUCKOCOYWBAA-NSHDSACASA-N 388.489 3.631 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1ccnn1Cc1ccccc1 5256433 CCVUVCGQMQNEPD-UHFFFAOYSA-N 386.249 3.711 0 40 GHAB CC(C)(C)c1ccc(C(=O)Oc2ccc([C@H]3N[C@H](C(=O)O)CS3)cc2)cc1 4572006 WHVNNPAYVMRTLJ-ROUUACIJSA-N 385.485 3.992 0 40 GHAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc(F)c(Cl)c3)cc2O1 6661506 PGLLNVHCNVWTQL-UHFFFAOYSA-N 393.798 3.946 0 40 GHAB CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2)c2cc(Br)ccc21 4784308 MWSQWAPXDVDFMC-IBGZPJMESA-N 388.261 3.585 0 40 GHAB CNc1nnc(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)s1 7103022 AZPHKNHOODWSCG-HNNXBMFYSA-N 398.513 3.839 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 7406810 VNRSPXKKYKQNBZ-GOSISDBHSA-N 392.908 3.830 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc21 15867568 BYIJYIYKPHHYKN-UHFFFAOYSA-N 391.880 3.929 0 40 GHAB CCc1cc2oc(=O)cc(CSc3nnc(C(C)(C)C)n3N)c2cc1Cl 7780462 NNFHSQBURCTRKF-UHFFFAOYSA-N 392.912 3.904 0 40 GHAB CN(Cc1ccco1)C(=O)CSc1nnc(Cc2cccs2)n1C1CC1 7844214 KCCGKZBYTWPEOC-UHFFFAOYSA-N 388.518 3.609 0 40 GHAB COc1ccc(OCC(=O)Nc2nnc([C@@H]3CCCO3)s2)c(C(C)(C)C)c1 27912844 UWMJNZICNQPTDP-HNNXBMFYSA-N 391.493 3.713 0 40 GHAB CSc1ccccc1NC(=O)CN(C)C(=O)COc1cccc(Cl)c1 8292535 DVZBVXQXDCCAFM-UHFFFAOYSA-N 378.881 3.538 0 40 GHAB CCOc1ccc(C(=O)NCCc2ccc(OC(F)F)c(OC)c2)cc1OC 8360615 DZBOAROXCYLBDH-UHFFFAOYSA-N 395.402 3.676 0 40 GHAB COc1ccc(OCC(=O)Nc2cccc(Br)c2)c(C(C)=O)c1 8395014 VINMIKXYNFXESW-UHFFFAOYSA-N 378.222 3.678 0 40 GHAB Cc1ccc(-c2nnn(CC[S@@](=O)c3cc(Cl)ccc3Cl)n2)cc1 84174745 XHXLMQNSFNOJBF-DEOSSOPVSA-N 381.288 3.763 0 40 GHAB C[C@@H]1C[C@H](OC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1 95377701 WKXSXVSCBQJGHS-JMEBTWHASA-N 382.256 3.985 0 40 GHAB Cc1csc(Sc2ccc(NC(=O)N[C@H]3CCCC[C@@H]3C(N)=O)cc2)n1 79095836 JXZIRKBKZROYQY-GJZGRUSLSA-N 390.534 3.768 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 408559064 UGKOCHQPKQUDCK-NSHDSACASA-N 387.288 3.787 0 40 GHAB CCOc1cc(CO)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409113221 IPBWAJPGLXWYEM-UHFFFAOYSA-N 377.245 3.652 0 40 GHAB Cc1ccc(N2C(SCc3ccccc3C)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 32641047 WTQDAWZIZFFGJF-RTBURBONSA-N 386.542 3.578 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1cccs1 56945263 IMTREFVLTNSTMR-SFHVURJKSA-N 381.501 3.634 0 40 GHAB COc1ccc(-c2cccc([C@H]3CCCN(C(=O)c4c[nH]nc4C)C3)n2)cc1 72349750 HYJWWVFPGSCDLA-KRWDZBQOSA-N 376.460 3.809 0 40 GHAB CN(C)CCn1ncc2c1-c1ccccc1OC21CCN(Cc2ccoc2)CC1 306136469 PUHGYAJXOAPKEU-UHFFFAOYSA-N 392.503 3.588 0 40 GHAB Cc1cccc(Nc2ccc([C@H]3CCCN3C(=O)CCc3nc(C)no3)nc2)n1 72353229 NAXRJRGJHAWSMT-GOSISDBHSA-N 392.463 3.516 0 40 GHAB Cc1cc(=NC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)[nH]n1CC(F)(F)F 557147311 PALMXIFKPBWWNT-DZGCQCFKSA-N 384.377 3.773 0 40 GHAB CC(C)Oc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219718193 XMFBGVSGWRBVNK-UHFFFAOYSA-N 390.505 3.513 0 40 GHAB CC1(C)CC(NC(=O)c2cc3c([nH]c4ccccc43)c(=O)s2)CC(C)(C)N1 1565524854 QWSQKSPOQBOQNZ-UHFFFAOYSA-N 383.517 3.782 0 40 GHAB COc1ccc(S(=O)(=O)NCC(c2ccco2)c2ccco2)cc1Cl 670317879 BFZDGMFOQBFHMC-UHFFFAOYSA-N 381.837 3.645 0 40 GHAB CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)c2ccc3sccc3c2)s1 560804054 PKVQQGWZHLZULP-QWRGUYRKSA-N 388.518 3.708 0 40 GHAB O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCCn2c(cc3ccccc32)C1 561733586 AAEVYAYOOZXJCS-UHFFFAOYSA-N 391.862 3.922 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2ccc(SC(C)C)cc2)N2CCOCC2)o1 48296694 OZQVMMHQPKCLLF-LJQANCHMSA-N 388.533 3.892 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc(CN2CCCC2)cc1 44872257 WDRGFIQAGVVGMC-UHFFFAOYSA-N 378.925 3.555 0 40 GHAB CCCc1nnc(S)n1CC(=O)NCC1(c2cccc(C)c2)CCCCC1 48356246 CSGRTDNKPZCOFV-UHFFFAOYSA-N 386.565 3.846 0 40 GHAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 225698720 NSRQGMQGMRELPO-KRWDZBQOSA-N 386.923 3.867 0 40 GHAB CCCOc1ncc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C 225878107 ADTJAUUUJAWDST-UHFFFAOYSA-N 384.476 3.874 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(Cl)c1 223102884 BMOAMRXLAAVLKZ-IBGZPJMESA-N 388.895 3.581 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)cc2)c(OC)c1OC 224899081 ZKDNUHILPONTAR-NTUHNPAUSA-N 382.460 3.965 0 40 GHAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1N(C)S(C)(=O)=O 222448711 DPRUNUJQIIJFBA-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB CCCC[C@H](CC)CNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224626770 HIWQSGMHUYECNB-SFHVURJKSA-N 382.570 3.874 0 40 GHAB CC(=O)c1c(C)cc(NC(=O)c2cc(N3C[C@H](C)O[C@H](C)C3)ccn2)cc1C 1593632366 WGNPJUVTQALBOU-IYBDPMFKSA-N 381.476 3.767 0 40 GHAB Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1NS(C)(=O)=O 222943537 CKRSUENXMOHSSN-OAHLLOKOSA-N 386.517 3.736 0 40 GHAB Cn1c(CO[C@H]2CN(Cc3cnc4ccccc4c3)C[C@H]2F)nc2ccccc21 96112203 BMGQPDPFIMJYPD-GCJKJVERSA-N 390.462 3.861 0 40 GHAB biogenic,in-vitro CC(C)c1nc(-c2cc(C(=O)N3CC[C@H](N(C)C)C3)c3ccccn23)cs1 96154845 LTIHRQAUUZWDCX-HNNXBMFYSA-N 382.533 3.962 0 40 GHAB COc1ccc(CCC(=O)NC[C@@](O)(c2ccsc2)c2cccs2)cc1 253407217 VTDFCORTFOJZAV-HXUWFJFHSA-N 387.526 3.803 0 40 GHAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCCCCCC2)Nc2ccccc21 257287099 POMZJZODTPGLOA-PDPLOHQNSA-N 381.520 3.767 0 40 GHAB Cc1cc(N2CCO[C@H](c3cccc(Nc4nc(C)cs4)n3)C2)nc(C)n1 257235156 GWRPJRJOAUAEIB-INIZCTEOSA-N 382.493 3.575 0 40 GHAB O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccnc(O[C@@H]2CCOC2)c1 543462316 NBLBCQRDIZZRQS-LJQANCHMSA-N 377.400 3.689 0 40 GHAB CC(C)(CNC(=O)c1c(F)ccc(SCC2CC2)c1F)[C@@]1(O)CCCOC1 620120139 DTAJGVZDRKZYKR-HXUWFJFHSA-N 399.503 3.764 0 40 GHAB Fc1cc2[nH]cc(CCN=c3nc(C4CCOCC4)[nH]s3)c2cc1Cl 624715512 DYVCUJBDIQFJJY-UHFFFAOYSA-N 380.876 3.782 0 40 GHAB O=C1CCCN1C[C@H](N[C@@H]1COC2(CCC2)C1)c1cccc(C(F)(F)F)c1 657838345 RTARNBFDVHHKGU-IRXDYDNUSA-N 382.426 3.670 0 40 GHAB N[C@@H](C(=O)Nc1cccc(Oc2ccc(Br)cc2)c1)[C@@H]1CCCO1 685938865 PTBLQLIJUVBVLS-DLBZAZTESA-N 391.265 3.686 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N[C@H](C)c3ccccc3)o2)cc1 298268405 CMPHJQUEHPVKFI-OAHLLOKOSA-N 383.473 3.927 0 40 GHAB COc1ccc(CNC(=O)NC[C@](C)(OC)c2cccc(Cl)c2)cc1OC 96393309 DTVKRQXETCSZHR-FQEVSTJZSA-N 392.883 3.718 0 40 GHAB O=C(Nc1cccc(COc2ccc(F)cc2)c1)N1CC[C@@H](O)C(F)(F)C1 585101374 DFUIDHNYCGRFBR-QGZVFWFLSA-N 380.366 3.639 0 40 GHAB CC(=O)O[C@@H]1C=C(C(=O)O)[C@]2(CO)CC[C@H](C)[C@](C)(CCc3ccoc3)[C@H]2C1 72319933 NRNSOEIINXSQRA-QJSROQMMSA-N 390.476 3.590 0 40 GHAB biogenic,in-vitro O=C(COc1ccccc1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc(Cl)cc1 866251 YOPNXISXBBTBGM-KRWDZBQOSA-N 398.768 3.715 0 40 GHAB COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N[C@H]4CCCC[C@@H]4C)ccc32)cc1 5001837 DYKAIVVXFKJHPW-KXBFYZLASA-N 393.487 3.695 0 40 GHAB COc1ccc(C2=NO[C@]3(CC(=O)N(c4ccc5ccccc5c4)C3=O)C2)cc1 5396186 FXVQMOLCKSUKSK-QHCPKHFHSA-N 386.407 3.675 0 40 GHAB COc1ccc(C2(NC(=O)c3noc(C)c3Cn3cccn3)CCCCC2)cc1 12197863 XZLJDARPRGNZQU-UHFFFAOYSA-N 394.475 3.826 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)CCC(=O)Nc2ccc(F)c(F)c2)c(C)c1 12978493 SSJRLFOHCIMUQD-UHFFFAOYSA-N 389.446 3.789 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2C)cc1 14122067 QWXLNPONOGACCT-UHFFFAOYSA-N 396.516 3.996 0 40 GHAB Cc1ccc([C@@H]2CN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)C[C@H]2c2csnn2)cc1 19211946 MQBKVYMSVBLMOP-IZBJGVDFSA-N 398.576 3.534 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1CCC(c2noc(-c3ccncc3)n2)CC1 19333208 HVWWGMSUCKNISG-UHFFFAOYSA-N 382.851 3.734 0 40 GHAB C[C@H]1CCCCN1CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1 19496352 IGDFTOLEIPXART-RNQSCQIESA-N 399.579 3.525 0 40 GHAB COc1ccc2[nH]c(C)c(CCNCc3cc(OC)c(OC)c(OC)c3)c2c1 19848547 NYVWMHNDHNFRSV-UHFFFAOYSA-N 384.476 3.843 0 40 GHAB COc1cccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)c1 19564747 XVLDBZDJPGVSMJ-BDTNDASRSA-N 382.479 3.975 0 40 GHAB O=C(NC1CCCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3516971 XIJBXTPTIJGLSJ-UHFFFAOYSA-N 384.501 3.501 0 40 GHAB Cc1cccc(NC(=O)C(=O)NCCc2sc(-c3ccccc3)nc2C)c1 4392570 WCYIUPSCAJECBF-UHFFFAOYSA-N 379.485 3.724 0 40 GHAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)c1 10333803 KIQMRMBCVAMTQC-QFIPXVFZSA-N 389.499 3.814 0 40 GHAB CC(C)N(C(=O)CSc1ccc(NC(=O)c2cccc(F)c2)nn1)C(C)C 11738016 BAWLKOFQUGJPGI-UHFFFAOYSA-N 390.484 3.606 0 40 GHAB COc1ccc(OC)c(C(=O)Nc2nnc(Cc3ccc(Cl)s3)o2)c1 13653979 GIMVOBYFMNSVED-UHFFFAOYSA-N 379.825 3.645 0 40 GHAB Cc1cccc(NC(=S)N[C@@H](C)[C@H](c2ccccc2)N2CCN(C)CC2)c1C 22928311 YIIQGQGVJVFUGR-SIKLNZKXSA-N 396.604 3.967 0 40 GHAB O=C(Nc1c(F)cccc1F)N1CC[C@@H](Oc2ccncc2Br)C1 1775972689 RBWMIALUZGGLRF-SNVBAGLBSA-N 398.207 3.808 0 40 GHAB Cc1nc(-c2ccc(S(=O)(=O)NCc3ccc(-c4ccco4)o3)cc2)co1 618255102 KZFSECZOFWBCBH-UHFFFAOYSA-N 384.413 3.982 0 40 GHAB CC(C)(CNC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1CCOCC1 40095119 UJKOTGZMFIZOJE-UHFFFAOYSA-N 379.810 3.591 0 40 GHAB COc1cc(Br)cc2cc(C(=O)N[C@H]3CCCC[C@H]3C)c(=O)oc12 30769026 GWKULBFMVWFBPE-YGRLFVJLSA-N 394.265 3.873 0 40 GHAB O=C(CCCc1nc2ccccc2[nH]1)NCc1cccnc1OC1CCCC1 31993669 DPCBJOXXVNFDEF-UHFFFAOYSA-N 378.476 3.918 0 40 GHAB Nc1ccc(-c2nnn(CC(=O)Nc3ccc(C4CCCCC4)cc3)n2)cc1 1372678 LAHUUMPHVFJAHW-UHFFFAOYSA-N 376.464 3.609 0 40 GHAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 1379856 IGMLPBJYTPQJBV-QGZVFWFLSA-N 375.831 3.792 0 40 GHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2Cl)cc1 2383373 OUTJJDFTBFCRNS-UHFFFAOYSA-N 379.847 3.657 0 40 GHAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc1 2421968 SZWVNFRTOKXQDP-UHFFFAOYSA-N 399.495 3.826 0 40 GHAB CCn1c2ccccc2c2nnc(SCC(=O)N3CCc4ccccc43)nc21 3384028 JYHLYGXWPVPKDH-UHFFFAOYSA-N 389.484 3.681 0 40 GHAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1 3411162 KAYYBQKRCHGLLR-ZDUSSCGKSA-N 393.472 3.824 0 40 GHAB COc1ccccc1[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)N(C)C 3566590 VJROEDTXQOSCOI-GOSISDBHSA-N 398.894 3.609 0 40 GHAB O=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 4005365 YWHQYJNDMHIWAA-UHFFFAOYSA-N 389.434 3.695 0 40 GHAB COc1ccc(C(=O)NCc2nnc(SC)n2-c2ccccc2Cl)cc1 4059388 VQKFHQCXTHQWKX-UHFFFAOYSA-N 388.880 3.581 0 40 GHAB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3ncnn32)cc1 4086481 HVMSQDJZDYHOPY-LJQANCHMSA-N 375.432 3.523 0 40 GHAB Cc1ccc(-c2nsc(SCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 4167361 PJYJAFXIBMPORJ-UHFFFAOYSA-N 385.470 3.973 0 40 GHAB COC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1[C@H](C(=O)OC)CC2 4194033 DVNRIPKZCDGASS-LLVKDONJSA-N 399.424 3.736 0 40 GHAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)N[C@H]1CCCc2ccccc21 4251950 KYWGUCNSQLZNME-KXBFYZLASA-N 392.528 3.938 0 40 GHAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 4301408 MBEIPAAIJONRMZ-HKBOAZHASA-N 388.423 3.893 0 40 GHAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2c(C)[nH]c3ccccc23)C1=O 4305681 DCYGMCDJYSRDRX-QFIPXVFZSA-N 375.428 3.516 0 40 GHAB COc1cccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c1OC 4519925 QRRZDJIZSWAQDV-OAHLLOKOSA-N 399.830 3.689 0 40 GHAB COc1cc(C)c(Br)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C 4722316 MZWJWRMESNQRRO-GFCCVEGCSA-N 396.306 3.906 0 40 GHAB COc1cc(NC(=O)c2cccc(Br)c2)c(C(C)=O)cc1OC 4733194 FELSJFTUDJROFY-UHFFFAOYSA-N 378.222 3.921 0 40 GHAB COc1ccc(C2=C/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)O2)cc1OC 4832523 GZYPYNDTBBPYPD-NVNXTCNLSA-N 398.411 3.711 0 40 GHAB CCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@@H]1c1ccc(O)c(OC)c1 4909840 KLUADFOIKPUDCK-NRFANRHFSA-N 393.443 3.755 0 40 GHAB COCCNC(=O)CCc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O 5345338 KRYGKYDZXIADAA-UHFFFAOYSA-N 385.460 3.840 0 40 GHAB COc1ccc(C(=O)NC(=C(Cl)Cl)S(=O)(=O)c2ccccc2)cc1 5526886 NUNNVLFBOHUWOO-UHFFFAOYSA-N 386.256 3.503 0 40 GHAB CCOC(=O)C1=C(CSc2nc3cc(Cl)ccc3s2)NC(=O)N[C@@H]1C 5780553 JMTCWTVQUGUDTC-MRVPVSSYSA-N 397.909 3.560 0 40 GHAB COc1ccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1OC 6417580 FEYSPBXOJCVJCK-UHFFFAOYSA-N 379.460 3.897 0 40 GHAB O=C(Cc1ccc(Cl)cc1)Nc1nc2ccc(N3CCOCC3)cc2s1 6422987 YEVANJSQJDXNPC-UHFFFAOYSA-N 387.892 3.968 0 40 GHAB Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nnc(C)s3)[C@@H]2c2cccs2)cc1 6553680 HFKRFJZMRHYYMF-RHSMWYFYSA-N 398.513 3.949 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 6652422 UQOBWMUJNSVGOG-UZLBHIALSA-N 386.467 3.744 0 40 GHAB CCCCC(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 6757461 ZKOHGMGAZXYHLZ-QGZVFWFLSA-N 393.480 3.792 0 40 GHAB CCn1c(SCc2ccccc2Cl)nc2cc(S(N)(=O)=O)ccc21 6977190 PGACESRUHIPHRK-UHFFFAOYSA-N 381.910 3.649 0 40 GHAB O=S(=O)(NCCSCc1ccccc1)c1ccc(Br)s1 7689529 KSGJYUUVAIEOIY-UHFFFAOYSA-N 392.365 3.722 0 40 GHAB CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 7759853 DIWQHVPGGYKHOL-GOSISDBHSA-N 381.432 3.561 0 40 GHAB Cc1nc2cc(C(=O)NCc3cn4ccccc4n3)ccc2n1-c1ccccc1 8278833 CEWAFAIXPOAPGU-UHFFFAOYSA-N 381.439 3.912 0 40 GHAB COc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 8723410 WKDYSRXCQKRHFU-UHFFFAOYSA-N 393.468 3.885 0 40 GHAB COc1cc2cc(C(=O)NCCc3c[nH]c4ccccc34)n(C)c2cc1OC 8764829 JTRDUBCEVKQQQM-UHFFFAOYSA-N 377.444 3.649 0 40 GHAB biogenic COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(Cl)cn1 9061824 LEYDRDLFKZNMFZ-UHFFFAOYSA-N 391.674 3.615 0 40 GHAB COc1cc(OC)c2c(C)c(CC(=O)Nc3cccc(Cl)c3)c(=O)oc2c1 9348107 MOEDGDYSPVDBAL-UHFFFAOYSA-N 387.819 3.953 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1Cl 9590752 AKXLGNUORXZDHV-AWEZNQCLSA-N 389.810 3.567 0 40 GHAB O=C(C1CCCCC1)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O 12141842 OUTMOWUVMBOFDS-IBGZPJMESA-N 383.467 3.621 0 40 GHAB COc1ccc(NC(=O)c2nnn(-c3cc(Cl)ccc3C)c2C)cc1OC 12274286 HBHKBBJJUIGWAC-UHFFFAOYSA-N 386.839 3.807 0 40 GHAB O=C1CCc2cc(OCC(=O)Nc3ccc(Cl)c4cccnc34)ccc2N1 12527976 DZZXKSSIBZPAMX-UHFFFAOYSA-N 381.819 3.790 0 40 GHAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Nc2ccc3c(c2)OCCCO3)c(C)c1 12545041 WPIAWPWTVFOOHU-HNNXBMFYSA-N 383.448 3.613 0 40 GHAB CCOC(=O)c1sc2nc(CN(C)Cc3ccc(C)cc3)nc(N)c2c1C 12561758 GQMIJWGVIHYIET-UHFFFAOYSA-N 384.505 3.699 0 40 GHAB CCn1c(CNC(C)(C)CC)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12603381 IZXFNOBINOLCPG-UHFFFAOYSA-N 392.569 3.509 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12912569 WBMDBRHFSAUMSS-JKSUJKDBSA-N 386.879 3.985 0 40 GHAB Cc1nn(C)c2ncc(C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)cc12 12915249 GRGLEAWLHUAWRD-GOSISDBHSA-N 380.448 3.997 0 40 GHAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)O[C@@H]2CCOC2=O)cc1 12958410 LDFAUYQYOBHPQP-LJQANCHMSA-N 397.402 3.774 0 40 GHAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1cc(=O)c2ccccc2o1 14197291 MXCDNIIGORBUEC-UHFFFAOYSA-N 379.803 3.944 0 40 GHAB Cc1ccc(Nc2nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)s2)cc1Cl 14199528 QYJOQJSWIRQGME-LLVKDONJSA-N 399.929 3.555 0 40 GHAB O=C(c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)N1CCCC1 14253894 MFBVJIKBAZUQDP-UHFFFAOYSA-N 380.469 3.877 0 40 GHAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(C)cc1 14508176 RKDNDDCPEUUETK-SFHVURJKSA-N 390.936 3.816 0 40 GHAB CCc1cccc(NC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)c1 15582487 VCSXWLIWWMHCCU-UHFFFAOYSA-N 381.432 3.888 0 40 GHAB Cc1ccc2scc(CC(=O)N3CCc4nc([C@H]5CCCN5)ncc4C3)c2c1 19220658 IJBUUTZHSTZRDT-LJQANCHMSA-N 392.528 3.552 0 40 GHAB O=C(NCC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccncc3)C2)no1 19405238 SFQHBILQCDUTJC-IBGZPJMESA-N 382.508 3.759 0 40 GHAB CCCn1nc(C)c(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1C 19525841 IRRUWXLRSIDFIR-LAUBAEHRSA-N 380.540 3.562 0 40 GHAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCCN(CC2CC2)C1 19530019 HUWJZHSGLWBATD-JTSKRJEESA-N 388.483 3.764 0 40 GHAB COc1ccc(-c2n[nH]cc2CN(Cc2ccccn2)C[C@@H]2CCCO2)cc1 19557840 IHIHZRLIHIKESW-NRFANRHFSA-N 378.476 3.662 0 40 GHAB Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 19694874 RKVLYWJSCISCMY-UHFFFAOYSA-N 386.499 3.983 0 40 GHAB Cn1cc(C(=O)NC2CCCC2)c(CC2CCN(C[C@@H]3CC=CCC3)CC2)n1 19756729 PAGWTVWURRNCTO-LJQANCHMSA-N 384.568 3.703 0 40 GHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCc1ccc(Cl)cc1 19937577 YRKNVGQNAIKEKL-UHFFFAOYSA-N 388.254 3.603 0 40 GHAB COc1cc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc(Cl)c1OC 23149147 XXYCIKQSDTYCDX-UHFFFAOYSA-N 388.851 3.846 0 40 GHAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1cccc2ccccc12 23175296 RFZPOCRIXYCAEJ-ASNKMWSDSA-N 394.496 3.720 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 23224224 KUDZXSNNJVLPMD-LBPRGKRZSA-N 376.815 3.788 0 40 GHAB Cc1nnc(COC(=O)c2c(-c3ccccc3)csc2NC(=O)C2CC2)o1 24164696 RQZBDQIISFYVNE-UHFFFAOYSA-N 383.429 3.812 0 40 GHAB Cc1sc(-c2ccco2)nc1C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 24457293 RXLIWQGQFUGVGA-CQSZACIVSA-N 393.472 3.774 0 40 GHAB O=C(Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O)N1CCc2ccccc21 24990376 SBVHZTRDQYZSJV-UHFFFAOYSA-N 399.372 3.518 0 40 GHAB O=C(COc1ccccc1C(=O)NOCc1ccccc1)Nc1ccccc1F 25282791 NPQRKOZXZPCKTG-UHFFFAOYSA-N 394.402 3.705 0 40 GHAB O=C(CSc1nc2ccccc2s1)NCc1ccccc1Cn1cccn1 27254739 XDVGIGHAZNJYHH-UHFFFAOYSA-N 394.525 3.950 0 40 GHAB COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccccc2F)N2CCCC2)cc1 28232047 WEQRAIKPUZZDQQ-JXFKEZNVSA-N 386.467 3.555 0 40 GHAB CC(=O)N[C@H](C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C(C)C 29013270 AIZXNMVBODASNB-AWEZNQCLSA-N 385.411 3.928 0 40 GHAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(C(=O)C2CC2)CC1 30392063 OQBWYBUYNRRUHM-UHFFFAOYSA-N 396.462 3.992 0 40 GHAB CC[C@H]1CCCN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)C1 31682302 CYTVZIUNOHXTJN-KRWDZBQOSA-N 375.472 3.956 0 40 GHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccccc1O 32895964 BFOPEKSHRKIEIL-UHFFFAOYSA-N 377.322 3.858 0 40 GHAB Cc1cc2nnc(S[C@H](C(=O)N[C@@H](C)c3ccccc3)C(C)C)n2c(C)n1 33030493 DKFAKUDBCRDHGV-KSSFIOAISA-N 383.521 3.735 0 40 GHAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc2c(s1)CC[C@@H](C)C2 36185317 YTRZXIHPNWHZCW-CQSZACIVSA-N 386.517 3.982 0 40 GHAB Cc1ccc2c(c1)C(=O)CC1(CCN(CC(=O)Nc3ccc(F)cc3)CC1)O2 39227141 KVGMGQSLEPYCTM-UHFFFAOYSA-N 382.435 3.573 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](c1ccccc1)c1nccn1C 40012021 RMVVQHYWBDNMEV-KRWDZBQOSA-N 389.484 3.766 0 40 GHAB O=C(CCSc1nnc(-c2ccc[nH]2)o1)Nc1ccc(Br)cc1 40127740 RLJXWJQIFNGZOW-UHFFFAOYSA-N 393.266 3.948 0 40 GHAB CC(C)(C)c1csc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)n1 40140648 CKZVOQAOMCEMPN-UHFFFAOYSA-N 388.468 3.697 0 40 GHAB CCCc1nnsc1C(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 44204277 CYKHFYQCFQFKRM-NSHDSACASA-N 389.506 3.622 0 40 GHAB Cc1nc(C2(NS(=O)(=O)C3=Cc4ccccc4CC3)CCCCCC2)no1 46407684 GZIJYVVUHADPEL-UHFFFAOYSA-N 387.505 3.834 0 40 GHAB O=C(N[C@@H]1CCc2ccccc21)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1 48987934 ZPAUOTBYYLSNKS-HXUWFJFHSA-N 399.429 3.886 0 40 GHAB O=c1cc(CN2CCC3(CC2)OCCO3)c2cc(O)c(-c3ccccc3)cc2o1 54105962 ZJWRABQCKBPSDR-UHFFFAOYSA-N 393.439 3.505 0 40 GHAB biogenic O=C(NC1CC1)[C@@H](NCc1ccccc1OC(F)(F)F)c1ccc(F)cc1 57460505 CCUFCYZFGOZLBW-KRWDZBQOSA-N 382.357 3.834 0 40 GHAB O[C@@H](CSc1nnc(NC2CCCCC2)s1)c1ccc2c(c1)OCO2 58017391 PXYZPLWLLXNFAZ-ZDUSSCGKSA-N 379.507 3.837 0 40 GHAB O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)Nc3cccc(Cl)c3)cc21 64959256 FHABOFQDJCDFJP-LLVKDONJSA-N 382.803 3.786 0 40 GHAB C[S@@](=O)c1ccc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1 65492703 MAVNWGHYEMZHQP-VWLOTQADSA-N 394.949 3.883 0 40 GHAB O=S(=O)(CCN1CC[C@@H](c2ccccc2)C1)c1ccc(Br)cc1 69873821 LVJFBSWJALYWKC-MRXNPFEDSA-N 394.334 3.712 0 40 GHAB COc1ccc(-c2nc(-n3cccc3)sc2C(=O)NCc2ccccn2)cc1 71283423 CEFROGRDXYSUTR-UHFFFAOYSA-N 390.468 3.934 0 40 GHAB Cc1nc2cccnc2n1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 72365995 MHJHTAHESHSAQA-UHFFFAOYSA-N 377.423 3.837 0 40 GHAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72374841 OXJHQJMDHKCMGA-LJQANCHMSA-N 393.535 3.639 0 40 GHAB Oc1cc(C2CCN(Cc3cccc(F)c3F)CC2)nc(-c2cccnc2)n1 72392790 SKPCYQMKYAETOR-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB CC(C)(C)c1cc(C(=O)N2CCC[C@@H]([C@H]3CC(=O)c4ccccc4O3)C2)[nH]n1 72396476 XESZOUXLLGEZCW-AUUYWEPGSA-N 381.476 3.593 0 40 GHAB CN(C)[C@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1cccs1 79105773 HIBUUINSJFJKDY-CQSZACIVSA-N 393.361 3.777 0 40 GHAB CCOC(=O)CN(CCc1ccccc1)C(=O)c1cc(-c2ccc(C)cc2)no1 95394818 DPYUFXAMCBRAFG-UHFFFAOYSA-N 392.455 3.898 0 40 GHAB O=S(=O)(c1cccc(Cl)c1F)N1C[C@@H](n2ccnc2)Cc2ccccc21 95961691 YQTOBGGTJRHWEY-AWEZNQCLSA-N 391.855 3.668 0 40 GHAB CC(C)N1CCN(C(=O)c2cc3c(c4ccccc4n3CC3CC3)n2C)CC1 96037428 PQYKIWVDISUHGY-UHFFFAOYSA-N 378.520 3.709 0 40 GHAB COc1ccc(CC(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)cc1OC 96104083 YIJWWOBEHXPMNU-UHFFFAOYSA-N 383.492 3.752 0 40 GHAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc(C(F)(F)F)nc1 96224166 QRJQEDRVDCQSPT-UHFFFAOYSA-N 376.338 3.652 0 40 GHAB CCOC(=O)c1csc([C@H]2C[C@@H](C(C)C)N([S@@](=O)C(C)(C)C)CO2)n1 96503397 MJUCCZCSCZYKTM-KTTFQHEFSA-N 388.555 3.528 0 40 GHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCC(=O)Nc1ccccc1Cl 96743030 PZPJCNKILFNUNN-AWEZNQCLSA-N 394.924 3.765 0 40 GHAB Cn1c(S)nc2cc(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)ccc2c1=O 102180265 HALXJZFLQAEMJE-KRWDZBQOSA-N 399.903 3.757 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 170564511 JMCKENDUWJNLML-UHFFFAOYSA-N 376.416 3.876 0 40 GHAB O=C(NC[C@@H]1C[C@H]2C=C[C@@H]1C2)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 170613151 JOQVHQKFSVTBFJ-IMJJTQAJSA-N 384.863 3.549 0 40 GHAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 219296128 RQYCLECACXBWBH-BEFAXECRSA-N 389.517 3.687 0 40 GHAB COc1ccc(CNC(=O)COc2ccc3ccccc3c2)c(OC)c1OC 222833479 YENWEYVYLSIFBX-UHFFFAOYSA-N 381.428 3.561 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1 222983400 MLIISLATAFCSGP-IBGZPJMESA-N 396.531 3.961 0 40 GHAB CC(C)CCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224272086 HPBKRIQPZGDFLP-UHFFFAOYSA-N 394.924 3.941 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N3CCCCC3)ccc2C)cc1 224303767 UWFLTIDFUCYBBF-UHFFFAOYSA-N 386.517 3.755 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 224658391 YGJSECABVWQTLE-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCCc1ccco1 225779437 OVVIJIDXZJJDLY-HKWRFOASSA-N 378.428 3.701 0 40 GHAB COc1ccc(CNC(=S)Nc2nc(C)cc(N3CCC[C@@H](C)C3)n2)cc1 225932149 MPBZHRRFCDDKJK-CQSZACIVSA-N 385.537 3.517 0 40 GHAB COc1ccccc1[C@]1(O)CCC[C@H]2CN(Cc3cnc(C(C)C)nc3)C[C@H]21 248205043 ZMAOSUYZYDLIEB-JXHRLWIKSA-N 381.520 3.728 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccc(C)cc2)[C@@H]1c1ccccc1OC 257224515 FCDIPYZWHKDXMB-KNQAVFIVSA-N 380.488 3.620 0 40 GHAB CCn1ccc2cc(C[C@H]3CCCN(C(=O)c4cccc(O)n4)CC3)cnc21 257271384 MYBBRNCPJUYGKS-INIZCTEOSA-N 378.476 3.642 0 40 GHAB Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCCCc2ccccc2)n1 260712552 IXUDQWYFKPEBKS-INIZCTEOSA-N 383.565 3.941 0 40 GHAB Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12CN(CCC(C)(C)C)CCO2 306127659 GEFSAOIXOFACBJ-OXQOHEQNSA-N 379.570 3.631 0 40 GHAB COc1ccc(-c2cccc3nc([C@@H]4CN(C5CCC5)CCN4C)cn23)cc1 306130490 JHZGKANWSVPPCW-QFIPXVFZSA-N 376.504 3.851 0 40 GHAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(Br)cc1O 409022810 FYOFRKBNANIRHR-AWNIVKPZSA-N 386.267 3.998 0 40 GHAB O=S(=O)(NCC[C@H](CCO)c1cccs1)c1cccc2ccccc12 575607705 NMBQQUFCZWGZHZ-MRXNPFEDSA-N 375.515 3.736 0 40 GHAB O=C(NC[C@@H](OCCO)c1ccsc1)C(c1ccccc1)c1ccccc1 575622223 XXLXGDDRVPQMHK-HXUWFJFHSA-N 381.497 3.746 0 40 GHAB O=C(N1CC[C@@H](OCC2CCOCC2)[C@H](Cc2ccccc2)C1)C1(F)CCC1 585113418 DBJHQSXBUFFPMM-NHCUHLMSSA-N 389.511 3.782 0 40 GHAB O=C(c1cccc2ccccc12)N1CC[C@H](Oc2ncc(Br)cn2)C1 585147134 MIJNMNGRCHJRAT-HNNXBMFYSA-N 398.260 3.686 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccsc3)cc2)s1 585148206 ZPSGTOMGGMJGAG-INIZCTEOSA-N 379.528 3.797 0 40 GHAB Cc1nc(Nc2ccccn2)cc([C@H]2CCCN2C(=O)/C=C/c2cccnc2)n1 585293505 YHTZLHWZWFSTMI-JBVUFVISSA-N 386.459 3.696 0 40 GHAB Cc1cc(N2C[C@H](C(=O)N(C)c3ccc(F)c(Cl)c3)CC2=O)ccc1F 1537245518 AQTKZXHTQXXDOM-GFCCVEGCSA-N 378.806 3.943 0 40 GHAB Cn1cc(C(=O)N2CCC(COc3cc(C4CC4)ncn3)CC2)c2ccccc21 1565522956 CTOBMHWRNDWJDK-UHFFFAOYSA-N 390.487 3.777 0 40 GHAB Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccc(Cn4ccnc4)cc3)C2)n1 1775969778 KYRNGVMVODXDNY-FQEVSTJZSA-N 390.487 3.566 0 40 GHAB Cc1ccc(NC(=O)Cc2nc(CSc3nnc4ccccn34)cs2)cc1 8327936 INCHJDBGVDBQOW-UHFFFAOYSA-N 395.513 3.968 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Cl)cc1 790802 DCQIWTRCNFTOMS-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCC(C)CC2)cc1 1330504 NZDYFOWLISAGRE-OAQYLSRUSA-N 377.492 3.551 0 40 GHAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCc2ccccc21 1364535 MELVOKZTDCPYQY-UHFFFAOYSA-N 390.512 3.885 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1OC 1379575 VYNGSVLWDJHJNE-QGZVFWFLSA-N 383.448 3.647 0 40 GHAB CC(=O)c1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 3140686 OYNDEECCAVCYDR-UHFFFAOYSA-N 375.428 3.975 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2F)c1 3611905 FRJQJYOCGOHAPZ-UHFFFAOYSA-N 384.860 3.762 0 40 GHAB C[C@H](NC(=O)CNc1cccc(C(=O)N(C)C)c1)c1ccc2ccccc2c1 32754376 VXQUIYXLUXEKAK-INIZCTEOSA-N 375.472 3.831 0 40 GHAB Cn1ccnc1Sc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 32882925 DHTSXBVPTQNSOE-UHFFFAOYSA-N 377.425 3.930 0 40 GHAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(Cl)cc3)n2)cc1OC 4998151 GVVGVHBARINDAH-LLVKDONJSA-N 387.823 3.898 0 40 GHAB COc1cc(N[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c(OC)cc1Cl 6085334 KCWOFHPIXHJCKH-NSHDSACASA-N 391.855 3.755 0 40 GHAB CCCCOc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1OCC 6429742 XDXBLDWYKDIRHI-UHFFFAOYSA-N 391.489 3.799 0 40 GHAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 6648341 HFBOBOISHDKXJA-QPEQYQDCSA-N 387.288 3.946 0 40 GHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 56174105 SEKHDUPPGLSYFZ-UHFFFAOYSA-N 379.460 3.594 0 40 GHAB CCc1ccc(N2C(=O)N(c3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)cc1 8064214 LALCCKZGOYVADT-MSOLQXFVSA-N 390.892 3.515 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3cnn(-c4ccccn4)c3C(C)C)CC2)c1 32914275 STFVJHAZMZFKHM-UHFFFAOYSA-N 389.503 3.662 0 40 GHAB CNc1nc(C)ccc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 32928554 LUTOABLGAFKPBH-SNVBAGLBSA-N 382.247 3.923 0 40 GHAB CN(CC(=O)NC(C)(C)C)C(=O)Cn1c(-c2ccccc2)cc2ccccc21 9891656 WJUXQLPLFYTFIY-UHFFFAOYSA-N 377.488 3.681 0 40 GHAB O=C1Nc2c(Cl)cccc2[C@]12CC(O)=Nc1c2cnn1-c1cccc(F)c1 20746048 VSXIRNQTJIUAAF-IBGZPJMESA-N 382.782 3.895 0 40 GHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CC=C(c2ccc(O)cc2)CC1 46957568 FSQUZUNMHKIWLR-SFHVURJKSA-N 377.488 3.717 0 40 GHAB CCCCCCn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C 12437173 JYZVUKXNAOCTEJ-UHFFFAOYSA-N 386.521 3.604 0 40 GHAB CCCN(CCC)C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 24836032 HQNYMBVTZLBFIA-FQEVSTJZSA-N 378.472 3.543 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1Cl 12563729 SYEORNUAZVCBGJ-ZDUSSCGKSA-N 387.867 3.915 0 40 GHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 12526949 COZJBMZYUVLOEK-MRXNPFEDSA-N 387.911 3.806 0 40 GHAB Cc1ccc(-c2noc(CCC(=O)NC[C@H](c3ccco3)N3CCCC3)n2)cc1 27335273 GGAOESKFFNGRNI-GOSISDBHSA-N 394.475 3.524 0 40 GHAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(OCc2cccnc2)cc1 23129451 IXBHWWHABRMDAY-UHFFFAOYSA-N 380.419 3.951 0 40 GHAB CCn1cc2ccc(NC(=O)COc3ccc(Br)cc3F)cc2n1 58015986 XVPVXKUBWMYKEH-UHFFFAOYSA-N 392.228 3.975 0 40 GHAB O=C(c1cc(-c2ccccc2)on1)N1CCN(Cc2ccccc2Cl)CC1 23237079 QNDGQEULKGTAQF-UHFFFAOYSA-N 381.863 3.953 0 40 GHAB CCCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 27747868 NLDSSYRLMFGFBN-SFHVURJKSA-N 388.533 3.730 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 20107846 QZXZRSPOWWHSIX-ZDUSSCGKSA-N 380.897 3.819 0 40 GHAB O=S(=O)(c1ccc(SC[C@@H]2CC2(Cl)Cl)nc1)N1CCCCCC1 10992369 ZLMDPUKBAXJXOW-LBPRGKRZSA-N 395.377 3.932 0 40 GHAB CSCC[C@@H](NC(=O)Nc1cccc(Cl)c1)c1nnc2ccccn12 11008224 KXJZWRXTRDFESJ-CQSZACIVSA-N 375.885 3.999 0 40 GHAB CCCc1nnc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)s1 11226909 QEYOBBRXRRRXOK-UHFFFAOYSA-N 394.504 3.875 0 40 GHAB CC[C@H](C)N(Cc1ccccc1)C(=O)Cc1c(C)nc2nc(SC)nn2c1C 12779583 KMNKISLOJFVKCS-AWEZNQCLSA-N 397.548 3.833 0 40 GHAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NCc1ccccc1Cl 12817902 RCLYWGUHVWNBBC-UHFFFAOYSA-N 387.842 3.516 0 40 GHAB CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 12892028 MHLCCULMVNEKAF-UHFFFAOYSA-N 394.880 3.590 0 40 GHAB CCCCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O 13006605 KBYHDGPQFBHEOQ-UHFFFAOYSA-N 382.869 3.975 0 40 GHAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(OC)c(OC)c3)c(=O)oc2c1 13573459 SOLSOUNSVUKRSW-UHFFFAOYSA-N 397.427 3.699 0 40 GHAB COc1ccc(-c2nnc3sc(-c4cncc(Br)c4)nn23)cc1 13682706 NUTCHJQEFVPYOG-UHFFFAOYSA-N 388.250 3.686 0 40 GHAB CCOc1cccc(-c2nnc3sc(COc4ccc(OC)cc4)nn23)c1 4295351 GHDSKAPDMWLPNK-UHFFFAOYSA-N 382.445 3.839 0 40 GHAB COC[C@@H](C)n1c(C)cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1C 5253629 GFEAIMYCQPLUSX-CYBMUJFWSA-N 387.867 3.559 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(N3CCCC3=O)cc2)c1 8774284 QIILGGFJKBNQRK-FQEVSTJZSA-N 394.471 3.808 0 40 GHAB CC(C)(C)c1ccc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCCO3)cc1 5308301 PBKHYJNKHMFWHJ-VZUCSPMQSA-N 395.455 3.950 0 40 GHAB O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1cccc(Br)c1 4545057 XHTXODXFULOOLG-INIZCTEOSA-N 380.625 3.515 0 40 GHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)C[C@H](NC(N)=O)c1cccs1 14375784 ZOTNTLSLLDRSLP-ZDUSSCGKSA-N 386.304 3.813 0 40 GHAB CNc1nc(Nc2ccc(C)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 4663203 HELPQXXBPUFPBM-UHFFFAOYSA-N 381.280 3.837 0 40 GHAB COc1ccc(OCCCC(=O)NCc2ccccc2-n2ccnc2C)cc1 61624289 CNPPUKHUKTYINU-UHFFFAOYSA-N 379.460 3.665 0 40 GHAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4cccc(C)c4)c3C)ns2)cc1 6914436 YVXNAAHKYSCZPI-UHFFFAOYSA-N 390.472 3.963 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)COc1cccc(Cl)c1Cl)CC2 7005307 PSYLQRMBMGDZLL-UHFFFAOYSA-N 396.270 3.974 0 40 GHAB CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1 15349550 MFYSHXXLUCOFSQ-UHFFFAOYSA-N 380.469 3.788 0 40 GHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3)ccc21 15867620 NCQMTTJLFVEKJW-UHFFFAOYSA-N 385.489 3.975 0 40 GHAB CCCNC(=O)CN1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(OC)cc1 20529070 ZXINZSMUSVDPCH-HSZRJFAPSA-N 377.488 3.650 0 40 GHAB biogenic,in-vitro Cc1c(Cl)cccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccccc1 9237862 KOXFWHRCZCMWRN-SJORKVTESA-N 399.907 3.946 0 40 GHAB COc1ccccc1CN(C)C(=O)CNCCOc1ccc(C(C)(C)C)cc1 16695394 AEUDMHAVJJFSTC-UHFFFAOYSA-N 384.520 3.620 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)Cn1nc(-c2cccs2)[nH]c1=S 8187659 VMYDJFZTUMLUTO-UHFFFAOYSA-N 382.518 3.944 0 40 GHAB CCCN(CC1CC1)C(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 8274933 FNSNTNZBNVRMKG-UHFFFAOYSA-N 381.501 3.774 0 40 GHAB NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cl 8286774 QERZWUZPHWVUCV-UHFFFAOYSA-N 379.652 3.547 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NCc1ccccc1Cl 8319150 WDTQTOVKSIBRGV-GOSISDBHSA-N 386.879 3.565 0 40 GHAB Cn1ccnc1-c1sc(NC(=O)c2n[nH]c3c2CCC3)nc1-c1ccccc1 96998759 QGLLRUZVIKDUSK-UHFFFAOYSA-N 390.472 3.675 0 40 GHAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3CCC(c4ccccc4)=N3)cc2c1C 9552332 VAASGVBDXDSVGR-UHFFFAOYSA-N 375.428 3.578 0 40 GHAB O=C(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1NC(=O)[C@H]1CCCO1 78877721 YTOXPFTWJYFMDF-CQSZACIVSA-N 380.231 3.758 0 40 GHAB COCCNc1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1 9622761 COKFWBCHAHLITF-UHFFFAOYSA-N 378.411 3.757 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 22330483 XARVFOUEAJWPFT-HNNXBMFYSA-N 394.924 3.600 0 40 GHAB CCOC(=O)[C@@H]1CC[C@@H](NC(=O)/C=C/c2cc(Cl)c(OCC)c(OC)c2)C1 95418764 FOYLJSBLFMJUIW-VOTDVEDPSA-N 395.883 3.609 0 40 GHAB CC(C)[C@H](Oc1ccc(Br)cc1)c1noc(CN2CCCC2=O)n1 508606450 WOHBVJNNAQLGMB-INIZCTEOSA-N 394.269 3.731 0 40 GHAB COc1ccc(CCC(=O)Nc2cc3c(cc2Cl)OCCO3)cc1OC 39535765 CRQSVICFQXLHBF-UHFFFAOYSA-N 377.824 3.700 0 40 GHAB O=C(CCn1ccc2ccccc21)Nc1cccc(N2CCCCS2(=O)=O)c1 71283473 QLGHXTSUCZMYQX-UHFFFAOYSA-N 397.500 3.600 0 40 GHAB CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(F)cc3)N2C1=S 6654827 MQPJOMOPKZBFFW-IEBWSBKVSA-N 379.460 3.770 0 40 GHAB biogenic COc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(Br)cc1 219681831 PSQCAZPZOXZXQA-AWEZNQCLSA-N 392.293 3.974 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1 35558769 FIPXBYCXTFGALO-MRXNPFEDSA-N 379.435 3.645 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccccc1 30758458 COGQLTFGDCVZKG-FXAWDEMLSA-N 388.533 3.725 0 40 GHAB CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 72358585 MMRSSKIXSTZWMV-HXUWFJFHSA-N 387.487 3.877 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1Cl 30855418 AUTTTYKZNNKIMB-LBPRGKRZSA-N 377.824 3.931 0 40 GHAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)Cc2cccnc2)n1 72379009 CCLKCAKCAVXLMR-LJQANCHMSA-N 375.476 3.692 0 40 GHAB CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1 35292226 COJXWXSZSPOEPX-UHFFFAOYSA-N 385.439 3.651 0 40 GHAB O=C(c1cccs1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 38899727 MGXZIZHETQRURX-CYBMUJFWSA-N 383.429 3.547 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)n1 72362900 OCEZIFGPOHFFKN-GOSISDBHSA-N 381.476 3.710 0 40 GHAB CC(C)[C@@H](C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 225186838 QXKCBDDQHQANNU-OAHLLOKOSA-N 394.924 3.696 0 40 GHAB Cc1cc(C)c(C[C@H](C(=O)O)N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 225167761 GPHMTYKGYAEQKI-GOSISDBHSA-N 395.908 3.582 0 40 GHAB O=C(Oc1ccc(Cl)cc1Cl)C1=C(c2ccccc2)S(=O)(=O)CCO1 40286311 FZFITCOAWKTGIQ-UHFFFAOYSA-N 399.251 3.713 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCCCN2CCC[C@@H](C)C2)cc1Cl 225737463 FLVNSGBNUCLAKS-CQSZACIVSA-N 397.972 3.925 0 40 GHAB C[C@@]1(CCc2ccccc2)NC(=S)N(c2ccc(Br)cc2)N1 225348868 WLQBJNSNHDGNHM-QGZVFWFLSA-N 376.323 3.997 0 40 GHAB CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 222891035 VDACMNDJCITTSH-GOSISDBHSA-N 387.476 3.749 0 40 GHAB COC(=O)c1cc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)ccc1Cl 225729493 PYXSAZQSIVXRMX-KBPBESRZSA-N 397.972 3.781 0 40 GHAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCCOc1ccc(F)cc1 224214929 FSKBUUZOIRMYIT-UHFFFAOYSA-N 378.252 3.631 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 222584035 HJFWAEZGARLVAT-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1cccc(N2CCCC2=O)c1 225787967 SNAGLAZWEVRVJE-OAHLLOKOSA-N 399.516 3.576 0 40 GHAB COc1cc(CCC(=O)Nc2nc(-c3ccccc3)ns2)cc(OC)c1OC 42090617 QXNALFZOVHHZRX-UHFFFAOYSA-N 399.472 3.802 0 40 GHAB Nc1cccc(-c2nn3c(Cc4ccc(Br)cc4)nnc3s2)c1 226299924 IQLFQBCYPFHMEY-UHFFFAOYSA-N 386.278 3.788 0 40 GHAB COc1cccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(N)cc2)c1 225312532 MYBDZEARBQOSKD-UHFFFAOYSA-N 382.485 3.981 0 40 GHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(C)c2C)c1 224637586 WRSJIMKRWDOFMF-UHFFFAOYSA-N 377.462 3.598 0 40 GHAB O=C(c1ccco1)N1CC[C@@H](c2ccn(C[C@H]3CCCO3)n2)c2ccccc21 96260811 DMRYAIBOEWGLLV-IAGOWNOFSA-N 377.444 3.838 0 40 GHAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2cccs2)cc1 96375415 VZWXSNYBLLOGHE-SJPCQFCGSA-N 375.515 3.595 0 40 GHAB O=C(c1cccs1)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 96038258 FOEOREPGJKUOBE-UHFFFAOYSA-N 389.484 3.873 0 40 GHAB COc1cccc2c1OC1(CCN(Cc3ccccn3)CC1)[C@H]1CCCO[C@H]21 257222956 DVHFGFIBTBEEDE-PZJWPPBQSA-N 380.488 3.985 0 40 GHAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(Cc3ncc[nH]3)[C@H]1CCCC(=O)N2 257323721 WLPATUTYBDELFT-BXWFABGCSA-N 392.425 3.803 0 40 GHAB Cc1ccc(NC(=O)NCc2ccc3c(c2)CNC3)c(-c2nc(C3CC3)no2)c1 667163628 OWVDGEPYGJOEKO-UHFFFAOYSA-N 389.459 3.847 0 40 GHAB COc1ccc2c(c1)OCCN(C(=O)NCC1(Cc3ccc(F)cc3)CC1)C2 670021224 ZLQVCDMXURVPLF-UHFFFAOYSA-N 384.451 3.761 0 40 GHAB CC(C)c1nccn1CC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 90560536 ZRKSBSWOKMRLDL-UHFFFAOYSA-N 399.919 3.900 0 40 GHAB Cc1ccccc1CCC(=O)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96370753 QKMRJLSCOBHYIF-IBGZPJMESA-N 391.920 3.656 0 40 GHAB O=C1C[C@@]2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)C2)Oc2ccccc21 96367505 JYQMMWBQSWKUAY-LJQANCHMSA-N 391.345 3.835 0 40 GHAB Cc1ccc(COC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 5674528 VDDIFUBLBGVIOM-ZHZULCJRSA-N 386.411 3.983 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(F)ccc2F)cc1 18078931 CKEXDOUKJXBAEP-UHFFFAOYSA-N 396.459 3.567 0 40 GHAB Cc1cc(C)n(-c2cc(C(=O)NCCc3nc4ccccc4n3C)ccc2C)n1 19214735 YVQSNWOTWRINSD-UHFFFAOYSA-N 387.487 3.657 0 40 GHAB O=C(CC1CCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccc(F)cc1 19332440 HOJKPAAVNLQDMD-IBGZPJMESA-N 383.467 3.767 0 40 GHAB CCCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 19755621 IPQVBBNDOLXUGS-SFHVURJKSA-N 396.491 3.900 0 40 GHAB O=C(NCC1CCN(C2CCSCC2)CC1)c1ccccc1Br 245015181 LPHMDNXUFRTJKZ-UHFFFAOYSA-N 397.382 3.787 0 40 GHAB COc1ccccc1CNC(=O)c1cnc(C2CCN(CC(C)C)CC2)nc1C 19766547 BFQWYBQIPWKENE-UHFFFAOYSA-N 396.535 3.559 0 40 GHAB C[C@@H]1CC(=O)Nc2c1c(NC(=O)C1(c3ccc(Cl)cc3)CCCC1)nn2C 35597803 UPVWRZTUODZPLX-GFCCVEGCSA-N 386.883 3.970 0 40 GHAB CN1C(=O)N[C@@H](c2ccc(O)cc2)C2=C1CN(c1cccc3ccccc13)C2=O 1422339 QRZGCHRZBZOINZ-NRFANRHFSA-N 385.423 3.542 0 40 GHAB CCOC(=O)CSc1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1 2948996 OCSCHQKRPWFHCL-UHFFFAOYSA-N 397.456 3.626 0 40 GHAB COc1ccc(OC)c2sc(NC(=O)c3coc4ccccc4c3=O)nc12 4292228 QUWSVDSGPLLBHE-UHFFFAOYSA-N 382.397 3.672 0 40 GHAB O=C(c1c(F)cccc1F)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1 5070686 MJGJSZKLNLHYRM-ZDUSSCGKSA-N 383.803 3.576 0 40 GHAB CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc21 8840853 OASNQLJEIIJJTI-UHFFFAOYSA-N 394.443 3.701 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NC[C@@H]1CN(c2ccccc2)C(=O)O1 9067979 CNFVIJISQZUJSF-CQSZACIVSA-N 395.242 3.514 0 40 GHAB CC(C)c1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccn(C)n3)nc12 11695569 JUSWAGHDMHRCTI-CQSZACIVSA-N 384.505 3.979 0 40 GHAB CCC(CC)C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(C)c(=O)[nH]1 11854867 MWZHYZPEONWXCY-UHFFFAOYSA-N 385.493 3.676 0 40 GHAB COc1ccc(/C=C/C(=O)NC[C@@H](OC)c2cc3ccccc3o2)cc1OC 575415712 VNPOPXTULYDVEL-FKVRIVCVSA-N 381.428 3.967 0 40 GHAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1cccc(F)c1 6251166 DEYMBVUKMZWHAF-UHFFFAOYSA-N 387.219 3.958 0 40 GHAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242561 VYALILAIZNFLSX-LRSLUSHPSA-N 389.503 3.512 0 40 GHAB CN1C(=O)c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2C1=O 24020587 MYYGJAQKSZRMDM-UHFFFAOYSA-N 386.407 3.744 0 40 GHAB O=C(c1c(Cl)cccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20082709 AUBVPZCFXWFHKJ-UHFFFAOYSA-N 393.270 3.680 0 40 GHAB O=c1cc(CS(=O)(=O)c2ccc(C3CCCCC3)cc2)nc2ccccn12 40153119 WHFFYDFZKFOXTD-UHFFFAOYSA-N 382.485 3.716 0 40 GHAB CCN(CC)C(=O)[C@@H](Sc1nc2nc(C)c(C)c(C)n2n1)c1ccccc1 40119159 WMZYDXJCCXCVCZ-KRWDZBQOSA-N 383.521 3.751 0 40 GHAB CC(=O)Nc1nc(COC(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)cs1 31694325 BSBZTRCNUWWXOS-GORDUTHDSA-N 390.848 3.830 0 40 GHAB Cc1ccccc1-n1c2c(c(=O)[nH]c1=S)CN(CCc1ccccc1)CN2 20419204 PDKFIMWXZYGCJU-UHFFFAOYSA-N 378.501 3.631 0 40 GHAB O=C(CCCn1nnc(-c2ccc(Br)cc2)n1)c1ccc(F)cc1 31731462 IEPYEEKWFRQFEY-UHFFFAOYSA-N 389.228 3.905 0 40 GHAB C[C@@H]1CN(CCOc2ccc3c(=O)c(-c4ccccc4)coc3c2)C[C@@H](C)O1 20589874 SEGDXBOJTVZVCX-IAGOWNOFSA-N 379.456 3.948 0 40 GHAB biogenic COc1cc(OC)cc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)o2)c1 929493 ZMRKFBCXUZOFHH-STQMWFEESA-N 391.493 3.635 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)no3)C2)cc1OC 1364493 IHYYOPBLSRNGSB-AWEZNQCLSA-N 399.472 3.835 0 40 GHAB Cc1ccc2c(c1)cc(CN(C(=O)c1cccnc1)C1CCCC1)c1nnnn12 1376891 LAJQIGQEWWLTFK-UHFFFAOYSA-N 386.459 3.566 0 40 GHAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(c4ccc(C)cc4C)CC3)c2c1 20728763 VYSLWXWIRIVTEX-JOCHJYFZSA-N 393.487 3.741 0 40 GHAB CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)C)c1 2661367 IDBXKPLDOPMGEE-UHFFFAOYSA-N 398.887 3.833 0 40 GHAB Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)C(=O)Nc3ccc(F)cc3)cc2c1 4231235 ICVBTVRLOZGKBH-UHFFFAOYSA-N 397.450 3.701 0 40 GHAB Cc1cc2occ(CC(=O)Nc3ccccc3N3CCN(C)CC3)c2cc1C 32675956 XBXDBWFKTJNRGN-UHFFFAOYSA-N 377.488 3.983 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc3ccccc23)cc1 4996648 RDEGFWRXAMNNLR-UHFFFAOYSA-N 375.457 3.855 0 40 GHAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)cs1 6680648 SYKKVCSPDDXLPT-UHFFFAOYSA-N 378.519 3.729 0 40 GHAB CC[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 6767062 DRDLBJQIMKGEDU-ZDUSSCGKSA-N 392.908 3.620 0 40 GHAB Cc1cc2oc(=O)cc(COC(=O)c3cncc(Br)c3)c2cc1C 6916768 VLFSCBORFCMCGV-UHFFFAOYSA-N 388.217 3.924 0 40 GHAB C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 7608600 YTXSIKIZKKWRNG-CQSZACIVSA-N 392.908 3.616 0 40 GHAB C[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 7645422 QMHITYOLNPFDOS-GFCCVEGCSA-N 376.250 3.640 0 40 GHAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cc(C)ccc1C 7939818 DTPHUMJESUPOMS-UHFFFAOYSA-N 382.460 3.766 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)Cc3csc(-c4cccs4)n3)cc2NC1=O 32772921 JRXXQZBMQIIDQV-JTQLQIEISA-N 385.470 3.772 0 40 GHAB COc1ccc(C(=O)Nc2ccc(C(=O)Nn3c(C)ccc3C)cc2)cc1OC 8475621 HQLHKJNOXHAUBX-UHFFFAOYSA-N 393.443 3.758 0 40 GHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCCc3cccs3)c12 32888329 AXTCMRAPAFKDLN-UHFFFAOYSA-N 376.485 3.978 0 40 GHAB COc1ccccc1OCC(=O)Nc1nonc1-c1ccc(OCC(C)C)cc1 11917117 MAAVLVAESBPCLN-UHFFFAOYSA-N 397.431 3.798 0 40 GHAB COC(=O)C[C@@H](NC(=O)Cc1coc2cc(OC)ccc12)c1ccc(F)cc1 52867511 PVSVXEJJMMZHEY-GOSISDBHSA-N 385.391 3.544 0 40 GHAB CC(=O)Nc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1F 52960715 YFHQYSHGPWNEDP-GOSISDBHSA-N 384.407 3.533 0 40 GHAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccccc1NS(C)(=O)=O 46868551 SJTVWRPVKFRMGJ-UHFFFAOYSA-N 387.288 3.637 0 40 GHAB COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c(OC)cc1Cl 815508 SLFWIKUXBNLAGX-CYBMUJFWSA-N 388.851 3.657 0 40 GHAB COc1ccc(NC(=O)c2ccc(Cn3c(=O)n(C)c4ccccc43)cc2)cc1 22322609 DUARNWRJPLRBTD-UHFFFAOYSA-N 387.439 3.649 0 40 GHAB COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 1038004 OOPLUIJYDXEZHM-LBPRGKRZSA-N 381.881 3.665 0 40 GHAB CC(C)c1cc(C(=O)Nc2nc3c(s2)CN(C)CC3)c2cnn(C(C)C)c2n1 23608611 TZIGRLHYGQHJPX-UHFFFAOYSA-N 398.536 3.832 0 40 GHAB COC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl 3012377 SVCOGUKXXTVQKM-SNVBAGLBSA-N 384.716 3.642 0 40 GHAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2C)cc1 107912804 LODCTMANLJGCLM-UHFFFAOYSA-N 380.897 3.518 0 40 GHAB CCc1ccc(NC(=O)[C@@H](CC)N(c2ccccc2F)S(C)(=O)=O)cc1 113967930 FHULYMFFCOJUEK-QGZVFWFLSA-N 378.469 3.571 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 25254790 SVPLKFWYXJRBOV-GASCZTMLSA-N 387.549 3.736 0 40 GHAB CC(C)[C@@H](NC(=O)N1CCc2ccc(O)cc2C1)c1ccc2c(c1)OCCO2 43883830 JVYNLTGRKCLGAJ-OAQYLSRUSA-N 382.460 3.628 0 40 GHAB CCn1c(C2CC2)nn(CN2CCN(c3cccc(Cl)c3)CC2)c1=S 57405640 USIXTMNFTPWUEY-UHFFFAOYSA-N 377.945 3.744 0 40 GHAB O=C(CC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O)c1ccccc1O 104822276 IRBQIIYOGBVIPV-UHFFFAOYSA-N 399.402 3.858 0 40 GHAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)Cc4ccccc4F)CC3)n2n1 100159355 YHPBQIYFBXRTOH-CALCHBBNSA-N 380.467 3.810 0 40 GHAB COc1ccc2c(c1)CCCN2C(=O)CCC(=O)c1ccc(OC)c(OC)c1 27065157 CXGFRWQEYXLINA-UHFFFAOYSA-N 383.444 3.655 0 40 GHAB Cc1cccc2c(=O)n(CCCC(=O)Nc3ccc(OC(F)F)cc3)cnc12 10413683 HGDPYRPCIPRDIH-UHFFFAOYSA-N 387.386 3.725 0 40 GHAB O=S1(=O)CC[C@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 55155586 QTUDEVQBSLVVEC-QFIPXVFZSA-N 377.509 3.755 0 40 GHAB O=C1c2ccccc2N[C@H](c2cn3ccccc3n2)N1Cc1ccc2c(c1)OCO2 58159042 NVCIKUGCUWXAHE-QFIPXVFZSA-N 398.422 3.830 0 40 GHAB CC(=O)N(Cc1ccco1)c1nc(C)c(C(=O)Nc2ncc(C)s2)s1 44921649 YEVNFYAHWJWTGQ-UHFFFAOYSA-N 376.463 3.615 0 40 GHAB CO[C@@H](C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1 58378072 XIXPVKMGTRVIRB-HXUWFJFHSA-N 382.847 3.876 0 40 GHAB O=C(COc1ncnc2ccccc12)Nc1ccccc1C(=O)Nc1ccccc1 3372164 LNCBPBLZTUARBB-UHFFFAOYSA-N 398.422 3.900 0 40 GHAB O=C(NCc1ccccc1N1CCOCC1)c1cc(-c2ccccc2Cl)on1 58434280 GJZHZGDNJMEKNP-UHFFFAOYSA-N 397.862 3.762 0 40 GHAB Nc1c(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cnn1-c1ccccc1 3331686 GIGLFIHZUPCWTR-UHFFFAOYSA-N 389.440 3.576 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)NC2(CCCCC2)C1=O 3341197 UBMGNQQOWIFAOU-JTQLQIEISA-N 384.263 3.575 0 40 GHAB O=C(OCC(=O)N1CCCC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 3368770 YUGCZRFUBCYNQE-UHFFFAOYSA-N 391.345 3.678 0 40 GHAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cc(OC)ccc1OC 2366425 HZNJMBPNMDULHZ-CCLHPLFOSA-N 393.420 3.791 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)CCC2 12758334 GJAVJTWFLUVSOX-UHFFFAOYSA-N 381.863 3.728 0 40 GHAB COCCn1c(-c2ccccc2)nn(CN2CCc3sccc3C2)c1=S 12775774 WDBXONLZNVVUJB-UHFFFAOYSA-N 386.546 3.805 0 40 GHAB CCOc1ccc(-c2nsc(NC(=O)COc3ccc(C)cc3)n2)cc1OC 27994115 PXXQLEMJVLATFU-UHFFFAOYSA-N 399.472 3.938 0 40 GHAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(C(F)(F)F)nc1 48235674 BGTOMNNPDNAERR-UHFFFAOYSA-N 378.398 3.806 0 40 GHAB CN(Cc1csc(COc2ccccc2)n1)S(=O)(=O)c1ccc(F)cc1 48312305 OIROPSQRKAAIEY-UHFFFAOYSA-N 392.477 3.682 0 40 GHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1c(Cl)cccc1Cl 12887830 RRLZYFVOPAEUIJ-UHFFFAOYSA-N 382.178 3.588 0 40 GHAB COc1ccc(CN(Cn2nc3ccccn3c2=S)CC(F)(F)F)cc1 12819314 JHVVFSYFNPYYRR-UHFFFAOYSA-N 382.411 3.896 0 40 GHAB Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1Cc1cccs1 3419885 KZEBMWSQZDUSNM-UHFFFAOYSA-N 396.299 3.961 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C1CCN(c2cnccn2)CC1 12941356 VGUDYACWDDIHNA-UHFFFAOYSA-N 394.563 3.966 0 40 GHAB O=C(N[C@@H]1CCc2ccccc21)c1nn(Cc2ccccc2)c(=O)c2ccccc12 12977636 MFTYYVHXDHUJQK-JOCHJYFZSA-N 395.462 3.862 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2c(C)cc(C)cc21 9319505 VGXVCMAKFCJCTD-NRFANRHFSA-N 387.863 3.549 0 40 GHAB COc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1NC(C)=O 13058988 CBZQVPULMUSXPQ-UHFFFAOYSA-N 389.260 3.761 0 40 GHAB CC(=O)c1ccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)cc1 4029835 RTRPDZRDKJBVKU-IBGZPJMESA-N 387.439 3.999 0 40 GHAB biogenic Fc1ccc(CCNCc2cccc(Oc3nnnn3-c3ccccc3)c2)cc1 13717668 NQPAFAHJQTWZAB-UHFFFAOYSA-N 389.434 3.926 0 40 GHAB CCCc1ccc(C(=O)CN2C(=O)N[C@](CC)(c3ccc(F)cc3)C2=O)cc1 4308430 HRHAYXJOIKBVIM-JOCHJYFZSA-N 382.435 3.818 0 40 GHAB COC(=O)c1ccc(/C=C(/SCC(=O)O)c2nc3ccccc3s2)o1 65488564 FGKTUIIRFCHUHT-RIYZIHGNSA-N 375.427 3.992 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@@]1(CC(=O)O)CC(/C=C/c2ccccc2)=NO1 5451727 HCIFICMXSJYTOM-LEQVUBRHSA-N 378.428 3.945 0 40 GHAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Oc3ccccc3)ccc2Cl)C1 6552377 YGDAJNOEBVDPJT-AWEZNQCLSA-N 393.892 3.980 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc(C)c1CC 4652220 WNONPYXRQSNKDT-OSRDXIQISA-N 391.489 3.647 0 40 GHAB O=C(N[C@H](Cc1nc2ccccc2n1CCO)c1ccccc1)c1ccccc1 6694687 ZZEWPJYWYLGVEL-OAQYLSRUSA-N 385.467 3.742 0 40 GHAB CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cccc(OC)c1 4736503 LLLACOLSIXTBSF-UHFFFAOYSA-N 393.472 3.502 0 40 GHAB CSCC[C@H](NC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1)C(=O)O 6759553 GTVDYUJJBBUOKB-ACJLOTCBSA-N 375.465 3.919 0 40 GHAB Cc1c(NC(=S)NC23CC4CC(CC(C4)C2)C3)c(=O)n(-c2ccccc2)n1C 4889214 UYTBPHHQDFEULI-UHFFFAOYSA-N 396.560 3.740 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(Cl)cc2)c1 9237500 NKZDJPLQNPUNCC-DLBZAZTESA-N 399.907 3.946 0 40 GHAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1c1cccs1 7620717 SSEJRHGWAKHJNH-VQIMIIECSA-N 385.533 3.749 0 40 GHAB Cc1ccc(-c2cc(NC(=O)COC(=O)C3CC3)n(-c3ccccc3)n2)cc1 7780498 XMJBJKHZRKMSAX-UHFFFAOYSA-N 375.428 3.739 0 40 GHAB COC(=O)c1c(NC(=O)CN(C)Cc2cccc(F)c2)sc2c1CCCC2 7843484 YJAGJJDHBXJXGH-UHFFFAOYSA-N 390.480 3.623 0 40 GHAB CC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N(C)Cc1ccco1 7989755 PADPAAWKLOLDAB-JOCHJYFZSA-N 378.472 3.775 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 16502289 LLGDIQFGCQSAHD-UHFFFAOYSA-N 398.459 3.712 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)COC(=O)c1ccc(C)cc1C 8099123 PMKNQFHPSYTGTR-UHFFFAOYSA-N 385.460 3.526 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2Cc2cc(C)no2)cc1 8160031 HHEFLJXCEMRPDL-FQEVSTJZSA-N 390.443 3.648 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc([S@](C)=O)cc1 79024887 NCDNPEWWZFEVBB-YDGUKXNOSA-N 386.300 3.815 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3nc(-c4cccnc4)cs3)n(C)n2)cc1 72405540 DAKOEAZJJDDHNG-UHFFFAOYSA-N 391.456 3.867 0 40 GHAB O=C1C[C@@H](C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c2ccccc2N1 25001976 YXFMXPRQTHVAFO-MRXNPFEDSA-N 380.835 3.649 0 40 GHAB Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]c2c1 95400120 MCJCXVQTKPDPFJ-CRAIPNDOSA-N 398.507 3.792 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)n1ccc(=NCC(F)(F)F)cc1 89548097 PBXCPHZNSTUVGO-UHFFFAOYSA-N 375.350 3.797 0 40 GHAB O=C(Oc1ccc(Br)cc1/C=C/[N+](=O)[O-])c1ccc2c(c1)OCO2 408537999 YHESJKJFNZUGFC-AATRIKPKSA-N 392.161 3.644 0 40 GHAB Cc1nn(CCC(=O)Nc2nc3ccccc3s2)c(C)c1Br 27969304 JYMMDQWIVUJTNR-UHFFFAOYSA-N 379.283 3.901 0 40 GHAB COCCN(Cc1cccnc1)C(=O)CSCc1coc(-c2ccccc2)n1 68160188 MKCWLNGDUBHGFU-UHFFFAOYSA-N 397.500 3.645 0 40 GHAB CCOC(=O)c1c(NC(=O)c2cccc(C)c2OC)sc(C(=O)OC)c1C 408629319 WWUMBMWGDSMJJB-UHFFFAOYSA-N 391.445 3.589 0 40 GHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2CN(Cc3ccccc3F)C[C@@H]21 306138560 SAVKSTMRTRPJMA-RXVVDRJESA-N 383.444 3.841 0 40 GHAB CN(Cc1cccs1)C(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 31526084 ZEOZWJCHVHITFT-UHFFFAOYSA-N 375.453 3.719 0 40 GHAB CN(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCNC(=O)OC(C)(C)C 72214482 RIWJKCOGZIACLH-UHFFFAOYSA-N 393.484 3.941 0 40 GHAB COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(OC)c(OC)c3)c2C)c1 32609746 OJPHLKRDGZQDMD-UHFFFAOYSA-N 395.459 3.826 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC)c(OC)c1OC 216418487 GGFWIGJCZSXHTM-KRWDZBQOSA-N 387.476 3.803 0 40 GHAB COc1ccc(-c2cccc([C@H]3CCCN(C(=O)C4CCN(C)CC4)C3)n2)cc1 72350384 UVZGSISLJQKLJC-FQEVSTJZSA-N 393.531 3.805 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 222431532 HTPKKVQOSILTDM-SFHVURJKSA-N 382.504 3.661 0 40 GHAB O=c1c2c(-c3ccc(F)cc3)n3ncnc3nc2ccn1CCc1cccs1 40398315 AIPWCSJNSHHJRW-UHFFFAOYSA-N 391.431 3.550 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1Cl)N(c1cccc(C)c1)S(C)(=O)=O 220494754 YFVRSCBZAOSVSM-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C 223531648 JTEUXKNZQVZAQY-WOJBJXKFSA-N 377.517 3.605 0 40 GHAB CC[C@@H](NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccccc1 44900370 WRSKXUBLILCARE-QGZVFWFLSA-N 394.924 3.682 0 40 GHAB CCOc1ccc(CNC(=O)c2ccc(C)cc2I)cc1 225026989 DATRWTUCMBWILZ-UHFFFAOYSA-N 395.240 3.928 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2cccc3ccccc23)c(C)c1 223576218 YNHOCGWKWAFTCL-UHFFFAOYSA-N 385.485 3.823 0 40 GHAB COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222998102 YETRTPGQZGYMHP-OAHLLOKOSA-N 387.501 3.700 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 224694990 WMGFESKZJBQALD-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)c(I)c1 225023729 FRDOYEXRECYERW-UHFFFAOYSA-N 381.169 3.550 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3nccs3)CC2)Oc2ccccc21 96053316 KXPVVRPTTKALRJ-KRWDZBQOSA-N 399.560 3.959 0 40 GHAB CSCC[C@@H](NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)C(=O)O 98037987 PJGCEJBXBLECFB-QGZVFWFLSA-N 382.485 3.631 0 40 GHAB CNC(=O)C[C@H]1CC2(CCN(C(=O)NC3CCCCC3)CC2)Oc2ccccc21 96243056 JHNXXLBIHFFREL-KRWDZBQOSA-N 399.535 3.566 0 40 GHAB Cc1ncsc1CN1Cc2cccn2[C@H](CCOCC2CCOCC2)C1 248028337 LDWNRXLYUFYOQR-LJQANCHMSA-N 375.538 3.643 0 40 GHAB O=C(N[C@@H]1CCCc2ccccc21)C1CN(c2cc(-c3ccccc3)ncn2)C1 253472398 MAKJOAXBIKIDRI-OAQYLSRUSA-N 384.483 3.774 0 40 GHAB CCCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CC)CC1 257319059 VQMNRBZAGPQHIK-UHFFFAOYSA-N 393.531 3.836 0 40 GHAB CC(C)C(=O)N1CCO[C@@H](c2cc(CCOc3ccc(C(C)C)cc3)[nH]n2)C1 257321888 WDRQYPKBUBRGQR-OAQYLSRUSA-N 385.508 3.711 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)c1 260737682 NDQBECADPBWIPP-MRXNPFEDSA-N 397.544 3.991 0 40 GHAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)N(C)Cc1ccccc1 605400954 UMIDKRWBGQTQHD-KRWDZBQOSA-N 388.471 3.793 0 40 GHAB O=C(NCC1CCc2ccccc2CC1)N[C@@H]1CCO[C@@H](c2cccnc2)C1 624162480 BFHJZWMCPPILEF-FGZHOGPDSA-N 379.504 3.796 0 40 GHAB COc1nc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)co1 626397839 XBFMADQZSHJFBR-HNNXBMFYSA-N 386.383 3.630 0 40 GHAB C[C@@H](NC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccc(-n2cccn2)c(F)c1 654573315 ZHBGIHURHYFMBX-VOBQZIQPSA-N 386.471 3.719 0 40 GHAB CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cnnn2-c2ccccc2Cl)cc1 684774795 YUJQGNCHBJJFGO-DOTOQJQBSA-N 382.851 3.605 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NCCn1nc(C)c(-c2ccsc2)c1C 575614711 BYVVHENKGXDYQX-UHFFFAOYSA-N 393.509 3.654 0 40 GHAB Cc1cnc(N=c2cncc(C3CCN(CCc4ccccc4)CC3)[nH]2)s1 585262545 DVHRVZWTVAUUFQ-UHFFFAOYSA-N 379.533 3.829 0 40 GHAB O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21 668407705 CAOOGNCVZIUJKR-XDNAFOTISA-N 395.503 3.615 0 40 GHAB COc1ccc([C@@H]2OCC[C@H]2NC(=O)Nc2cc3c(cc2Cl)CCC3)cn1 585123716 QASFAFXJCAWLOH-APWZRJJASA-N 387.867 3.884 0 40 GHAB Cc1cccc(NC(=O)[C@H](C)n2nnc3sc4c(c3c2=O)CCCC4)c1C 5183394 GPZKONROSJLJKK-ZDUSSCGKSA-N 382.489 3.548 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)Cc1cccc(C(F)(F)F)c1 5246212 RSCXNVIZLFFMLV-UHFFFAOYSA-N 383.366 3.590 0 40 GHAB O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc(F)cc1 12292725 PCXVPJDVCBCGEO-RBUKOAKNSA-N 391.870 3.863 0 40 GHAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(C)c(C)c3)CC1)O2 12293547 HFIBPYNGULSOGC-YADHBBJMSA-N 381.516 3.996 0 40 GHAB COc1cccc(CN2CCC[C@]3(CCN(C(=O)Cc4ccsc4)C3)C2)c1 12476064 RJBCUWOCQGBJNU-QFIPXVFZSA-N 384.545 3.814 0 40 GHAB CC[C@H](C(=O)NC1CCCCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715892 NIHAFVYYFMVQQI-GOSISDBHSA-N 384.517 3.599 0 40 GHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 14000366 OYIPVKNMYISFPB-PXNSSMCTSA-N 396.487 3.700 0 40 GHAB COc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3Cc3cccs3)n2)cc1 15675699 RIAJBXSMUWAGDP-SFHVURJKSA-N 393.472 3.829 0 40 GHAB biogenic,in-vitro CC[C@@H]1C=CC[C@H]2C(=O)N(CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 18037173 LQRUMGGMHSEQQW-NSODJVPESA-N 381.259 3.519 0 40 GHAB C[C@H](CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C)n1cccn1 19455343 AQUOZXHNLLMIJK-DKOYFPBOSA-N 398.526 3.842 0 40 GHAB COc1ccccc1NC(=O)c1cc([C@H]2CCCN(Cc3ccncc3)C2)no1 19571335 NLMSVQPKDSOIAW-KRWDZBQOSA-N 392.459 3.710 0 40 GHAB CCn1cc(-c2cc(C(=O)NCCc3cn(C)c4ccc(Cl)cc34)no2)cn1 19665281 VBQDODIEOKBHJP-UHFFFAOYSA-N 397.866 3.676 0 40 GHAB CC(=O)N1CCC(c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)CC1 19705645 GVUICOHXCWEJHX-UHFFFAOYSA-N 378.520 3.506 0 40 GHAB COc1ccc(-c2cc(C(N)=O)c3cc(Br)ccc3n2)cc1OC 226360252 OIYGJBITLSYHRO-UHFFFAOYSA-N 387.233 3.780 0 40 GHAB NNc1nc2c(Br)cc(NC(=O)/C=C/c3ccccc3)cc2s1 226314329 SWVSVRGQSZSEEB-VOTSOKGWSA-N 389.278 3.996 0 40 GHAB CN1CCN(Cc2cccnc2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19589440 AIXGRPOGCBNRPZ-DEOSSOPVSA-N 385.511 3.882 0 40 GHAB COc1ccc(NC(=O)CN(C)C(=O)Cc2coc3cc(C)c(C)cc23)cc1 15968451 MDIXSDUHNOSHHG-UHFFFAOYSA-N 380.444 3.698 0 40 GHAB CS(=O)(=O)Nc1cccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1 31979708 IZUIUECOKMQLGX-UHFFFAOYSA-N 391.449 3.573 0 40 GHAB O=C(c1cc(Br)ccc1Cl)N1CC[C@H](Oc2ccccn2)C1 238928957 UXHHNBZUCDGYPL-LBPRGKRZSA-N 381.657 3.791 0 40 GHAB Nn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1Cl 4315475 DBCXPFUTEMUQAG-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB O=C(Nc1nccs1)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O 5270869 JVRIUAHFXJINBU-UHFFFAOYSA-N 380.256 3.912 0 40 GHAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)CCC4CCCCC4)cnc32)cc1C 10251912 YEPXOPPJHFQLNC-UHFFFAOYSA-N 393.491 3.630 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 15390759 CVJZIFKEADDOSL-LJQANCHMSA-N 386.517 3.875 0 40 GHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3cccc(F)c3)ccc21 17286877 WPZDYIWRUMCBSE-UHFFFAOYSA-N 376.453 3.570 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(Cc2ccccc2)CC1 23127455 PPQBVTHBFMDQSG-UHFFFAOYSA-N 399.922 3.615 0 40 GHAB CC(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1CCCC1 40071987 WKFHDACGISYEQU-GOTSBHOMSA-N 376.500 3.856 0 40 GHAB COc1ccc2c(CC(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)coc2c1 20016515 RILXNUOTHIERST-HNNXBMFYSA-N 390.443 3.784 0 40 GHAB O=c1oc2cc(Cl)ccc2n1CN1CCc2nc(-c3ccccc3)ncc2C1 40139224 YYOZUGSAXXFOPE-UHFFFAOYSA-N 392.846 3.721 0 40 GHAB COc1ccc(-c2nc(C(=O)N[C@H](CN(C)C)c3ccccc3)cs2)cc1 31496046 ZAIJDXFSVJLHJT-GOSISDBHSA-N 381.501 3.851 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)cc1 1343660 HJDIGECLALFPMI-HXUWFJFHSA-N 393.443 3.727 0 40 GHAB O=C(OCCCCOC(=O)n1cnc2ccccc21)n1cnc2ccccc21 1634187 SNMJHXFRMBIBSL-UHFFFAOYSA-N 378.388 3.836 0 40 GHAB O=C(Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc2c(c1)OCO2 2798851 PDQJZAYIVPFTCV-UHFFFAOYSA-N 391.214 3.614 0 40 GHAB CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 10153447 GWOPCEDGRIZJJM-MRXNPFEDSA-N 395.850 3.683 0 40 GHAB Cc1nn(CC(=O)NCC(c2ccccc2)c2ccccc2)c(=O)c2ccccc12 32904846 NCRBHTQKNGMPMY-UHFFFAOYSA-N 397.478 3.653 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)CSc1nc(C2CC2)nc(C)c1C(C)=O 32908170 LYEVBFLAGUOLJI-LBPRGKRZSA-N 399.516 3.843 0 40 GHAB COc1ccc(NC(=O)CN(C)C(=O)c2ccc(COc3ccccc3)o2)cc1 8313060 RBLLGADCJAZQRZ-UHFFFAOYSA-N 394.427 3.578 0 40 GHAB Cc1ccc(C(=O)COC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1 8372058 GRJRRGBIZHCJCQ-UHFFFAOYSA-N 385.423 3.828 0 40 GHAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)[C@H]1COCCO1 33151268 SZHYNEYXLBOJJY-SNVBAGLBSA-N 378.500 3.954 0 40 GHAB CCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCCc1ccccc1 674562 BSMIQSNQAUZQQG-FQEVSTJZSA-N 396.512 3.664 0 40 GHAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc(OC(F)F)cc1)CC3 33871303 BMWDXHGSVUDDRM-XFXZXTDPSA-N 384.338 3.640 0 40 GHAB Cc1nc(NC(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)c(Cl)cc1Cl 102182140 SNEYVVWRKABFBX-QWRGUYRKSA-N 399.274 3.574 0 40 GHAB COc1cc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc(OC)c1OC 12517599 WNSQGLRZISKYGK-JTQLQIEISA-N 389.477 3.800 0 40 GHAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cc(=O)[nH]c2ccccc12 24391468 WSYLEYKKTRNIEB-UHFFFAOYSA-N 375.472 3.791 0 40 GHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2N2CCCC2)CC1=O 12522485 FWKAVMMASGUWMX-KRWDZBQOSA-N 393.487 3.677 0 40 GHAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc2cc(Br)ccc2[nH]1 24843160 YLSZCZUBFXXQNP-KRWDZBQOSA-N 398.304 3.935 0 40 GHAB Fc1ccc(CSCc2nnnn2-c2ccccc2)c(Br)c1 25097833 PSSJIVFEOZWTRA-UHFFFAOYSA-N 379.258 3.997 0 40 GHAB O=C(CNc1ccc(-n2cccn2)c(F)c1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 55879942 PXQNUXOWVLVSRU-GXTWGEPZSA-N 384.377 3.661 0 40 GHAB C[C@@]1(C(=O)NC(=S)Nc2ccccc2Br)CC1(Cl)Cl 3258903 SOUJAUUWJCFYPJ-NSHDSACASA-N 382.110 3.846 0 40 GHAB CC(C)CCNC(=O)Cn1nc(C(F)(F)F)c(Br)c1C1CC1 28227106 KYQRDIQROULJKH-UHFFFAOYSA-N 382.224 3.704 0 40 GHAB Cc1cccc(C)c1NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2sccc21 57426648 QKZCXXDPDDRJLV-UHFFFAOYSA-N 399.516 3.526 0 40 GHAB COc1ccc(OC)c(NC(=O)CN2CCC(c3nc4ccccc4o3)CC2)c1 57872191 HJZOMWKAOIEBEH-UHFFFAOYSA-N 395.459 3.663 0 40 GHAB CCCc1nc(C)c(C(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)s1 57994262 OEROQGBSVUCWQA-OAHLLOKOSA-N 377.554 3.705 0 40 GHAB CC[C@@H](NC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O)c1ccc(C)cc1 20483266 OQJKZOZNIXZLHH-WOJBJXKFSA-N 388.533 3.807 0 40 GHAB Cc1ccoc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 58268692 GSJJANGZNCJQIV-GXDHUFHOSA-N 390.848 3.708 0 40 GHAB CCOC(=O)c1cc(NC(=O)Cc2c[nH]c3ccccc23)cc(C(=O)OCC)c1 12793950 UEZQFCSRCDMZLE-UHFFFAOYSA-N 394.427 3.703 0 40 GHAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(C)cc1)C2=O 36245555 VMWOBDMQUIGGHU-UHFFFAOYSA-N 385.508 3.851 0 40 GHAB Cc1cnc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)s1 36357856 PJBJUFSSOSTQSJ-UHFFFAOYSA-N 394.547 3.745 0 40 GHAB Cc1nc(C2(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)CCCCC2)no1 48354082 DCWHZUKMKJSWKL-UHFFFAOYSA-N 391.475 3.642 0 40 GHAB Cc1nc(CN2CCN(C(=O)c3sc(-c4ccccc4)nc3C)CC2)cs1 28959910 PJTQJAZHTJVKMX-UHFFFAOYSA-N 398.557 3.841 0 40 GHAB CCOC(=O)c1sc(NC(=O)CN(C)[C@@H](C)c2ccc(OC)cc2)cc1C 12911256 DXCQFPQBUFGOAC-AWEZNQCLSA-N 390.505 3.873 0 40 GHAB CC(=O)Nc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)s1 12928566 WYYUWKJQGAUQOR-LJQANCHMSA-N 388.489 3.995 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 13000263 KQQGUQCZNCKATM-JLHYYAGUSA-N 392.455 3.638 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CNc2ncnc3sc(C)c(C)c23)cc1C 6082764 GJYXWOFPSHWHMK-UHFFFAOYSA-N 398.488 3.519 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@@H]2CS[C@H](c3cccc4[nH]ccc34)N2)cc1 13573159 GUKJKVSZPXALBX-AZUAARDMSA-N 380.469 3.606 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](C)c1ccc(OCC)c(OCC)c1 39538857 IVOZFZHPLJRXMJ-OAHLLOKOSA-N 394.471 3.788 0 40 GHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 24710140 FXBFEWWHRWQJQT-UHFFFAOYSA-N 387.288 3.643 0 40 GHAB CCCCc1nc2sc3c(SC[C@H](O)CO)ncnc3c2c2c1CCC2 5245099 SDHBFYZBSQRSFN-LLVKDONJSA-N 389.546 3.516 0 40 GHAB C[C@H](NC(=O)c1cn(C)c2ccccc2c1=O)c1cccc(Br)c1 22234315 HUICAUQTRWGWQW-LBPRGKRZSA-N 385.261 3.792 0 40 GHAB Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)cc2)cc1 4593133 BLICVOYKBNDTER-JSJNYSNDSA-N 375.424 3.750 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(F)c1 4735636 FVHWKMRKNXKKBR-LJQANCHMSA-N 381.407 3.654 0 40 GHAB CC(C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(Br)cc1 5690185 AOECKCWGYHRVJH-CYBMUJFWSA-N 382.283 3.707 0 40 GHAB Cc1ccsc1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 5781849 AXRTVSUCOBZDKH-UHFFFAOYSA-N 378.759 3.919 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCCC1 4815450 XNDXWJHXQANDLJ-UHFFFAOYSA-N 379.869 3.769 0 40 GHAB Cc1ccc(CN(C)C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)c(C)c1 8777039 VHFWWCNADPLEAI-UHFFFAOYSA-N 381.259 3.821 0 40 GHAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)c(C)c2)c1C 67322220 LCZRTDLHQSDMIV-UHFFFAOYSA-N 391.475 3.657 0 40 GHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15541721 MRLAFEOYEJYLOJ-UHFFFAOYSA-N 386.770 3.864 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCc2cc3cc(C)ccc3nc21 15841896 XUJMQAJSUXHGKU-UHFFFAOYSA-N 382.485 3.920 0 40 GHAB C[C@@H](OC(=O)c1cc(=O)c2cc(Cl)ccc2o1)C(=O)N(C)c1ccccc1 7761761 KNCAGVIYECMQPB-GFCCVEGCSA-N 385.803 3.655 0 40 GHAB C[C@H](NC(=O)COc1ncnc2ccc(Br)cc12)c1ccccc1 7814664 ZPYYRJUSCUHBCI-LBPRGKRZSA-N 386.249 3.649 0 40 GHAB CSc1ccc(CN(C)[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 7918569 WYBHIKGAHDSVIZ-QGZVFWFLSA-N 399.560 3.601 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 8133293 WJBHEZSWFYWMFR-UHFFFAOYSA-N 390.480 3.997 0 40 GHAB COc1cccc(CNC(=O)c2ccccc2OCc2cn3ccccc3n2)c1 8278348 WAFYMVYYBZPBJR-UHFFFAOYSA-N 387.439 3.852 0 40 GHAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccn1 9224211 HYYBBHQPNAJNLR-CQSZACIVSA-N 399.447 3.513 0 40 GHAB CC(C)[C@@H]1C[C@@](CC(=O)NCCN(C)C)(Cc2ccccc2Cl)CCO1 9530759 STCBWTICJFUEFQ-FPOVZHCZSA-N 380.960 3.772 0 40 GHAB Cc1cc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)c(C)n1Cc1ccccc1 9762611 LEZMYQBQFNGXPY-UHFFFAOYSA-N 378.472 3.655 0 40 GHAB Nc1nnc(S[C@H](C(=O)Nc2ccc(F)c(F)c2)c2ccccc2)s1 72333682 CBBVFYFNEONDPS-ZDUSSCGKSA-N 378.429 3.871 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccccc2Cl)nn1C 72404039 ODONJHQZIFKSDY-UHFFFAOYSA-N 398.850 3.960 0 40 GHAB COc1ccc(OC)c(N2C[C@@H](c3nc(-c4ccc(C)cc4F)no3)CC2=O)c1 97377774 ONESSUHIMYTLQS-ZDUSSCGKSA-N 397.406 3.722 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)c1 95947282 AOILHVCWEXZZGR-HSZRJFAPSA-N 391.471 3.629 0 40 GHAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1cccc(Cl)c1 20151828 JHOYNVQIIHDRJK-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 27663552 YPUZNAKLWQCVIE-AABGKKOBSA-N 389.561 3.749 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)C1 29570065 QQIQPLVRWGWJNP-MRXNPFEDSA-N 393.443 3.614 0 40 GHAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 32750407 YATVJLIJIWMQPT-ZDUSSCGKSA-N 378.266 3.884 0 40 GHAB Cc1cccc(CN2CCN(C)[C@H](c3ncn4cc(-c5cccnc5)ccc34)C2)n1 306126683 FCBMGVYPTJGNSM-QHCPKHFHSA-N 398.514 3.588 0 40 GHAB CCCOc1ccccc1CCCNC(=O)c1cccc(N2CCCC2=O)c1 219214312 XFGQEEMVDHXYHQ-UHFFFAOYSA-N 380.488 3.965 0 40 GHAB CCOc1ccc(CNC(=O)CSc2ccc(OC)cc2)cc1OCC 216411022 LFEMDYPONZWZAS-UHFFFAOYSA-N 375.490 3.901 0 40 GHAB CCN1CCN(c2cc(NC(=O)c3ccccc3Cl)c(Cl)cc2N)CC1 72229221 QZBUSUBJXAMUGG-UHFFFAOYSA-N 393.318 3.970 0 40 GHAB CN(C(=O)c1ccc2c(c1)CCC=C2)[C@@H](C(N)=O)c1cccc(Br)c1 556951042 DMAKRXRKLVABKJ-GOSISDBHSA-N 399.288 3.707 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3ccc(Cn4ccnc4C)cc3)CC2)c1C 30945017 UMRQZVCCRMSJQI-UHFFFAOYSA-N 388.515 3.819 0 40 GHAB COC(=O)c1cc(OCC(=O)Nc2c(C)cccc2C)c2cc(F)ccc2n1 65033290 FYZKNLAKBZMKFK-UHFFFAOYSA-N 382.391 3.795 0 40 GHAB CC(C)CC(=O)N1CCC[C@@](Cc2cc(-c3ccccc3F)no2)(C(=O)O)C1 72395039 FHRLDMFCTUZPPD-NRFANRHFSA-N 388.439 3.763 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)NCCc2ccc(Cl)cc2)c1 40103300 RZDBSNHRDFFJNF-UHFFFAOYSA-N 387.288 3.761 0 40 GHAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 223090504 XXAUHSOOVWQKJG-VQTJNVASSA-N 384.549 3.835 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc12 222385669 JLOJGXONWYPHKH-SFHVURJKSA-N 390.483 3.690 0 40 GHAB COc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224200201 WPEMHTGBZDYSQN-IBGZPJMESA-N 396.531 3.736 0 40 GHAB Cc1cc(Br)ccc1NC(=O)C(=O)NCc1cccc(Cl)c1 42646254 OJIUTOJHFMUBKD-UHFFFAOYSA-N 381.657 3.666 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c(C)c1 222503600 LDORUFKXPDKUNH-CQSZACIVSA-N 394.924 3.844 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)cc1 225410537 AXSFOMASTQAECG-RBUKOAKNSA-N 396.531 3.878 0 40 GHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 223262146 CZBBIUXLKWXCEU-QFIPXVFZSA-N 396.531 3.817 0 40 GHAB O=C(NCCOc1ccccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 224552522 KJSDSSDULZCVLG-UHFFFAOYSA-N 390.886 3.886 0 40 GHAB Cc1cccc(C(=O)N2C[C@H](C(=O)Nc3ccccc3)C3(CCOCC3)C2)c1 96241117 AUFHKOMTDSJTLD-HXUWFJFHSA-N 378.472 3.503 0 40 GHAB O=C(Nc1ccc(F)cc1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97994282 LGKBZFNNAKSXFC-QGOAFFKASA-N 375.363 3.709 0 40 GHAB O=C(Nc1ccc(F)cc1F)N1C[C@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 96112396 NUPMBGSZISUCBZ-GUYCJALGSA-N 390.365 3.612 0 40 GHAB biogenic,in-vitro Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CCN(Cc2c(C)noc2C)C1 96244645 NHSKKNMUMCHBHR-QHCPKHFHSA-N 390.487 3.731 0 40 GHAB Cn1c(CO[C@H]2CN(Cc3c[nH]c4ccccc34)C[C@H]2F)nc2ccccc21 96112199 FRCDNIPSRDUZRM-UTKZUKDTSA-N 378.451 3.794 0 40 GHAB biogenic,in-vitro CC(C)c1cc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3)[nH]n1 257268821 MNIGFSGNTRHOSF-PHQLXWQESA-N 392.547 3.890 0 40 GHAB O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@H]1CCc2cncn2C1 655408094 OOTCZCNLWRCMLJ-AWEZNQCLSA-N 393.409 3.582 0 40 GHAB COc1ccccc1OCC(=O)Nc1cccc(NC(=O)N2CC3CC2(C)C3)c1 665794241 FOOQCWVHPCXARB-UHFFFAOYSA-N 395.459 3.729 0 40 GHAB CCOC(=O)CCC(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 96119730 MBSKXIBHLOJEMZ-UHFFFAOYSA-N 385.445 3.671 0 40 GHAB Cc1ccc(CC(=O)N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2)C3)cc1 585099782 VPEISAVHGPTOBM-UHFFFAOYSA-N 394.490 3.718 0 40 GHAB CCN(CC)C(=O)Cc1ccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cc1 585100500 ZEDKOGICQDOQTG-HRAATJIYSA-N 379.504 3.947 0 40 GHAB Cc1ncc(CN(C)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1 58166472 WEQHQXMCSMWDOE-BETUJISGSA-N 392.500 3.868 0 40 GHAB COc1ccc([C@@H](CNCc2c(F)cccc2Cl)N2CCOCC2)cc1 57681591 IEQJFNLIUIGWQK-HXUWFJFHSA-N 378.875 3.651 0 40 GHAB CC(C)N(C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1)C(C)C 5858809 NLQBDFHECOGDHH-UHFFFAOYSA-N 397.342 3.972 0 40 GHAB Cc1ccc(-c2ccccc2NC(=O)Cn2c(=O)n(C(C)C)c3ncccc32)o1 12117487 YYQIUSXMHXNRTK-UHFFFAOYSA-N 390.443 3.986 0 40 GHAB COC(=O)[C@H](CCSC)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 13000130 LMMVAXVQVHWPLE-ZWKOTPCHSA-N 389.542 3.931 0 40 GHAB CC[C@H](C(=O)Nc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712219 JPHHPPHOZHZUFQ-MRXNPFEDSA-N 384.860 3.662 0 40 GHAB Cc1cc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)ccc1Br 15293017 ODWPMIFGTNLXBJ-UHFFFAOYSA-N 390.281 3.510 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1F 15579510 LDNSASNAMQYVDW-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)c(OC)c1 19078694 HHAAINLAPPXQGR-KDOFPFPSSA-N 399.443 3.564 0 40 GHAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)CCn3ccnc3)C2)n1 19117687 NXAHJCSUBYJXLF-INIZCTEOSA-N 381.505 3.506 0 40 GHAB COc1ccc(CN(C)C(=O)c2ccccc2Cn2ccnc2C)cc1OC 19288219 MIZBQTQNIRGBTE-UHFFFAOYSA-N 379.460 3.529 0 40 GHAB Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)n1 19290058 IXNKNTAPXXZKKK-FQEVSTJZSA-N 378.451 3.918 0 40 GHAB CCc1nn(C)c(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)c1C 19521034 ZDGHKGQASDCYNQ-WPYKKVEZSA-N 394.563 3.774 0 40 GHAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)[C@@H]1CC(c2ccccc2Cl)=NO1 19662463 XVXNEHQGQBKMAS-IBGZPJMESA-N 398.825 3.856 0 40 GHAB COC(=O)c1cc2c(=O)n(-c3nc(-c4ccc(F)cc4)cs3)ccc2nc1C 19962806 WKRURZHYWPOWLP-UHFFFAOYSA-N 395.415 3.743 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 8477890 RUVRLAPQNSBVOT-VZOQVYJPSA-N 394.515 3.710 0 40 GHAB Cc1ccncc1CC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 614215018 OXYYOAJMFKHRJK-GOSISDBHSA-N 388.309 3.798 0 40 GHAB O=C(CCC1CCCC1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2 2456756 YNTUZWPPCZRSTN-SANMLTNESA-N 375.469 3.683 0 40 GHAB C[C@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3N)o2)C[C@H](C)O1 226301443 MKEOXHGZULUDFV-QWRGUYRKSA-N 379.254 3.541 0 40 GHAB OCC1CCC2(CC1)CN(Cc1ccc3nccnc3c1)Cc1ccccc1O2 12126520 BRQLESKZZDZRTE-UHFFFAOYSA-N 389.499 3.946 0 40 GHAB COc1cccc(CNC(=O)COC(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1 4778908 VITPMAMSFIFJNE-JXMROGBWSA-N 393.361 3.587 0 40 GHAB COc1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)c(C(C)=O)c1 6872154 ZYMKTBSVDJVVNG-UHFFFAOYSA-N 392.249 3.986 0 40 GHAB CC(C)c1ocnc1CN1CCN(c2cc(C(F)F)nc(C3CC3)n2)CC1 1888866671 DSJDDBZQXMNWPG-UHFFFAOYSA-N 377.439 3.725 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@@H](N(C)c3ncccc3C(F)(F)F)C2)s1 1889139351 QKOBWMFNUXXWAZ-CYBMUJFWSA-N 398.454 3.915 0 40 GHAB CCCOc1ccccc1CN1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037983974 MPDACROKWAMNPW-XMMPIXPASA-N 394.515 3.731 0 40 GHAB Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)cc1 4106022 NLVQYFQUNZKGOC-AREMUKBSSA-N 385.876 3.849 0 40 GHAB Cc1ccc(N2C(=O)N(c3ccccc3C)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 4393704 MMIUQXPPPICGSU-MSOLQXFVSA-N 390.892 3.569 0 40 GHAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2=O)cc1 4479603 YQIZFMBDBPMJQN-AWEZNQCLSA-N 393.365 3.641 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(Cl)cccc2s1 4585727 HETVVBXLQWAQJI-UHFFFAOYSA-N 380.878 3.996 0 40 GHAB Cc1ccc(NC(=O)CSc2nccn(-c3ccc(C)c(C)c3)c2=O)cc1 7615788 FHZUXSXHXSFRDK-UHFFFAOYSA-N 379.485 3.889 0 40 GHAB COc1ccc2nc(N(Cc3cccnc3)C(=O)c3cc(C)on3)sc2c1 9206552 GTQURJKFDPRTOT-UHFFFAOYSA-N 380.429 3.843 0 40 GHAB Cc1nn(Cc2ccc(C(F)(F)F)cc2)c(=O)c2c1cnn2-c1ccccc1 12228039 QEUJXTVWBMFQJK-UHFFFAOYSA-N 384.361 3.958 0 40 GHAB Cc1cc(C(=O)N(CCCN(C)C)c2nc3c(Cl)cccc3s2)n(C)n1 12229378 UPPRUDBPNZKGGV-UHFFFAOYSA-N 391.928 3.590 0 40 GHAB Cc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCOCC3)c2c1 12437940 LOSBKOCTRMSYIV-UHFFFAOYSA-N 396.512 3.829 0 40 GHAB O=C(Cc1cccc2ccccc12)NCCCN1CCO[C@@H](c2ccccc2)C1 17178552 VZTRVDVSLUKTTE-XMMPIXPASA-N 388.511 3.962 0 40 GHAB Cc1cnc(OC2CCN(C(=O)CCc3ccc(F)c(Cl)c3)CC2)nc1 1775973011 BXAOENVPBWAOBQ-UHFFFAOYSA-N 377.847 3.580 0 40 GHAB O=C(OCc1cc(-c2ccccc2)on1)c1ccccc1S(=O)(=O)C(F)F 36662581 CDHXZPCYVSMRPK-UHFFFAOYSA-N 393.367 3.695 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1 40050469 LOPLCBVBIOSXQA-OAQYLSRUSA-N 379.504 3.726 0 40 GHAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc(N2CCOCC2)cc1 40088792 ZUWTWPANJSSCDH-UHFFFAOYSA-N 393.512 3.752 0 40 GHAB CCN(CC)CCOc1ccccc1NC(=O)N1CCN(c2ccccc2)CC1 40104523 PGWZPKYIJFDJHZ-UHFFFAOYSA-N 396.535 3.761 0 40 GHAB CC(C)CNC(=O)c1ccccc1NC(=O)CN(C)[C@H]1CCc2ccccc21 29489538 LMQSJFZSTHESDZ-NRFANRHFSA-N 379.504 3.630 0 40 GHAB COc1cc(CNC(=O)c2cc(F)ccc2Br)cc(OC)c1OC 8361762 FFCXCFXHMXLVIN-UHFFFAOYSA-N 398.228 3.544 0 40 GHAB Brc1ccc(-n2nnnc2-c2ccccc2)c(Br)c1 779712 WQDDSBJUOMTQIC-UHFFFAOYSA-N 380.043 3.854 0 40 GHAB COc1ccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@@]2(O)C(F)(F)F)cc1 910724 DTJWBVPCHPOOAB-GOSISDBHSA-N 378.350 3.505 0 40 GHAB CSc1ncc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)n1-c1ccccc1 17741886 NRROIRYMEXGZQF-GOSISDBHSA-N 395.484 3.581 0 40 GHAB COc1ccccc1/C=C/C=c1/sc2nc(-c3ccc(Cl)cc3)nn2c1=O 2695602 JJLWXVBGVMWDIF-MLIFEPNPSA-N 395.871 3.693 0 40 GHAB COc1c(S(=O)(=O)Oc2ccccc2NC(C)=O)ccc(Cl)c1Cl 32602154 UCJOVDJRFIMKMQ-UHFFFAOYSA-N 390.244 3.728 0 40 GHAB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OCC(=O)c4ccccc4)cc3)C(=O)[C@@H]2C1 102083484 IBZHGKZJJFODPM-CDHQVMDDSA-N 377.440 3.874 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1=O)N[C@H]1CCSc2ccccc21 32795639 LWQVTVMHDAJVCS-IBGZPJMESA-N 395.528 3.845 0 40 GHAB CCOC(=O)c1cc2c(ccn2C)n1CC(=O)Nc1cccc(C(F)(F)F)c1 4968513 OTAJMZASPVAKAY-UHFFFAOYSA-N 393.365 3.814 0 40 GHAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 32869145 SAWRJBRHJKMKOP-ZDUSSCGKSA-N 377.466 3.659 0 40 GHAB CN1CCN(C(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1 6734501 PEYRVLMAZCMCQX-UHFFFAOYSA-N 391.559 3.529 0 40 GHAB COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N3CCCC3)no2)cc1 11905230 WNHZBZUPVSLWPU-GOSISDBHSA-N 381.432 3.510 0 40 GHAB O=C1[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2C(=O)N1c1ccc2ccccc2c1 102564851 DVUPAHROSSIUSQ-PKOBYXMFSA-N 376.799 3.786 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(C)c(C)c2)n1 8476967 FNKYHDUTJNHQGR-UHFFFAOYSA-N 398.894 3.971 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CC=C(c4ccccc4)CC3)n2)cc1 41252814 AOJWIIDUDGDFDB-UHFFFAOYSA-N 399.494 3.925 0 40 GHAB COc1cc2c(=O)n(C3CCCCC3)c(=O)n(Cc3ccccc3)c2cc1OC 9938657 KNVGQZHTFGUKQE-UHFFFAOYSA-N 394.471 3.734 0 40 GHAB COc1ccc(NC(=O)c2ccccc2NC(=O)Cc2ccccc2C)cn1 58438087 DAWCGGLWOHNABL-UHFFFAOYSA-N 375.428 3.832 0 40 GHAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccnn1C 28228815 YVNGHZYPKSZJFZ-UHFFFAOYSA-N 394.262 3.829 0 40 GHAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@@H](C)c1ccccc1 3018420 MHXHQIGCWWTWEK-IERDGZPVSA-N 378.472 3.952 0 40 GHAB O=C(c1cccnc1Nc1ccccc1F)N1CCN(c2ccccc2)CC1 24767728 QURDPITUGKTEQX-UHFFFAOYSA-N 376.435 3.927 0 40 GHAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccccc1 113942219 FYESZOFZBOYPSG-HXUWFJFHSA-N 386.517 3.661 0 40 GHAB COc1ccc(N[C@H](C(=O)NC(N)=O)c2ccccc2)cc1Cc1ccccc1 12516985 WQHOXRICFMORHN-NRFANRHFSA-N 389.455 3.634 0 40 GHAB Cc1c(C(=O)NCCc2ccc3c(c2)OCCO3)cnn1-c1ccc(Cl)cc1 12553576 VQHNREWLPXHQRO-UHFFFAOYSA-N 397.862 3.578 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NCCCOC 22530944 NEPIUZNBDXKRQI-FQEVSTJZSA-N 398.503 3.866 0 40 GHAB Cc1cc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)no1 57486783 NKQBACRMRLVZGN-UHFFFAOYSA-N 383.795 3.794 0 40 GHAB CC1(C)[C@@H](OC[C@H](O)CN2CCN(c3ccccc3F)CC2)[C@]2(C)CC[C@@H]1C2 100320004 HTSQZYKYGVUADL-SVVKQXANSA-N 390.543 3.540 0 40 GHAB COc1cc2ccccc2cc1C(=O)OCC(=O)NCCCc1ccccc1 3235849 DFLIGGBDHMVJRN-UHFFFAOYSA-N 377.440 3.754 0 40 GHAB O=C(O)CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 408613567 YDEDFQSWZXMGNV-LJQANCHMSA-N 386.879 3.704 0 40 GHAB CC(C)c1ccc(-n2nnnc2SCCC(=O)N2CCc3ccccc32)cc1 12749453 PEVQXFFGKWEXKN-UHFFFAOYSA-N 393.516 3.857 0 40 GHAB O=C(O)CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2Cl)CC1 408605782 GSPZQILRPLGKDM-IBGZPJMESA-N 386.879 3.704 0 40 GHAB O=C(Cn1nnc(-c2cccs2)n1)N[C@@H](Cc1ccccc1)c1ccccc1 8403538 BILRINPDLWTWFO-SFHVURJKSA-N 389.484 3.502 0 40 GHAB CN(C)c1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)s1 48304232 PRXXARYMGHKOQY-LCYFTJDESA-N 377.263 3.921 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)COc1cccc2c1OC(C)(C)C2 12866354 JACZCPCGDQRAOD-UHFFFAOYSA-N 382.460 3.557 0 40 GHAB COc1ccccc1CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3621603 VPFPBFJBHYYYGC-UHFFFAOYSA-N 376.460 3.861 0 40 GHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccc(F)c(F)c1 13006927 CYSBUGCUTZHITG-JSGCOSHPSA-N 378.444 3.756 0 40 GHAB Cc1cc(=O)oc2c(C)c(OC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc12 4045644 POKWCPFWSMCHFH-HNNXBMFYSA-N 387.432 3.715 0 40 GHAB biogenic CCn1c2ccccc2c2cc(/C=C/C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)ccc21 63843616 HMJPHJWYOIEOLS-RNQQZGMQSA-N 389.499 3.940 0 40 GHAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccccc1Cl 5316994 TXCGLWSJJPSHOO-UHFFFAOYSA-N 382.634 3.995 0 40 GHAB O=C(c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCCC1 6414651 VDDFTRXBDRQVTH-UHFFFAOYSA-N 398.406 3.742 0 40 GHAB O=C(COc1ccc2ccc(=O)oc2c1)n1cccc/c1=N\C1CCCCC1 14119578 KDMYDEBBSSDFKS-BSYVCWPDSA-N 378.428 3.547 0 40 GHAB CCOc1ccc(NC(=S)N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 4622948 VEXZOQDXSXFDOA-UHFFFAOYSA-N 389.565 3.753 0 40 GHAB COc1cc([C@@H]2CC(=O)Nc3ncn(-c4ccc(F)cc4)c32)cc(OC)c1OC 66091724 AHEUNHUGGBVVDO-HNNXBMFYSA-N 397.406 3.511 0 40 GHAB CCOC(=O)c1cc(OCc2nnc(-c3ccccc3)o2)cc(C(=O)OCC)c1 18255887 BQMDXUQEDHYLTM-UHFFFAOYSA-N 396.399 3.669 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 6787468 QDAGGQNETAJJJP-AWEZNQCLSA-N 391.874 3.993 0 40 GHAB COc1ccc(COCc2cccc(NC(=O)NCCCn3ccnc3)c2)cc1 66979480 BLQYXAMGUZXAGW-UHFFFAOYSA-N 394.475 3.820 0 40 GHAB Cc1cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(C)n1Cc1ccco1 5931838 GCROHWZQTZJMOR-UHFFFAOYSA-N 393.468 3.958 0 40 GHAB Cc1cc2nc(SCC(=O)Nc3ccccc3C)n(CC(C)C)c(=O)c2[nH]1 67237696 LCFNOKWCNGXLRH-UHFFFAOYSA-N 384.505 3.728 0 40 GHAB COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3cccc(C)c3)oc12 67293678 XOCPODNSKIZDSX-AIUXHPFZSA-N 392.455 3.891 0 40 GHAB Cc1cccc(C)c1NC(=O)C[C@H]1SC(Cc2nc3ccccc3[nH]2)=NC1=O 7041299 XPGYEYZZJULMND-MRXNPFEDSA-N 392.484 3.792 0 40 GHAB O=C(OCc1coc(-c2cccs2)n1)C1CCN(C(=O)c2ccco2)CC1 19483466 GIGMKUPTFDJRQC-UHFFFAOYSA-N 386.429 3.592 0 40 GHAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCCCn2nc(C)cc2C)CC1=O 7985311 FDKJRPFOFVFQTP-LPHOPBHVSA-N 396.535 3.573 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1ccc(C)cc1Br)c1ccccc1 7975396 NHWVXKFIAHJEGL-KRWDZBQOSA-N 375.266 3.964 0 40 GHAB O=C(NCc1ccccc1F)c1ccc(OCc2cn3ccccc3n2)cc1 8278260 UPRKJHLZEFFROH-UHFFFAOYSA-N 375.403 3.982 0 40 GHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)Cn2nnc3ccccc32)c1 8262596 UORAUHGRZYNLRG-UHFFFAOYSA-N 385.427 3.631 0 40 GHAB O=C(NCc1ccnc(OC2CCCCC2)c1)c1cc(-c2cccnc2)on1 70038259 YVQLXFVKMFVKMK-UHFFFAOYSA-N 378.432 3.773 0 40 GHAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Br 19822819 ALZGXAZTCJVBRN-UHFFFAOYSA-N 388.670 3.515 0 40 GHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(SC(F)F)cc2)n1 9562130 ASYBWPXSSHGJRP-UHFFFAOYSA-N 385.461 3.768 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 9856335 SFBGFBDJSFWUQN-UHFFFAOYSA-N 395.484 3.908 0 40 GHAB COc1cccc(F)c1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 83857629 IRMFPOUUTHOBMU-UHFFFAOYSA-N 385.222 3.852 0 40 GHAB CCN(C(=O)Nc1c(C)nn(C(C)C)c1C)[C@@H]1CCN(c2ccccc2)C1=O 72305788 PJZVIUGNBVYBRQ-GOSISDBHSA-N 383.496 3.740 0 40 GHAB O=C(C[C@H]1CCN(Cc2ccccc2)C1)N1CCN(c2cccc(Cl)c2)CC1 72306834 GAHRZTDTQJPNIA-HXUWFJFHSA-N 397.950 3.901 0 40 GHAB CC[C@H](NC(=O)c1ccc(OC(C)C)c(OC)c1)c1nnc2n1CCCCC2 72318847 QWNNJKGRRYHXNF-INIZCTEOSA-N 386.496 3.681 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCCCCOc2ccc(F)cc2)C1 79020593 SUHLOWWAIOQACE-NRFANRHFSA-N 394.487 3.748 0 40 GHAB CCC1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 408707154 HIMRBLZQCUQBGN-BBBYJDLNSA-N 393.325 3.887 0 40 GHAB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(F)c(Cl)c1F 95986363 YDNUNACQZDJOAA-UHFFFAOYSA-N 378.762 3.520 0 40 GHAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 95958255 ONHDXGRVCGYDIR-UHFFFAOYSA-N 384.386 3.978 0 40 GHAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCCOc1ccc2c(c1)OCO2 60269177 XUIMCABUVCFFTC-INIZCTEOSA-N 392.496 3.563 0 40 GHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OC(C)=O)c(OC)c3)S2)cc1 408769681 ZCNRGWOPESJQCV-JAORQVBISA-N 398.484 3.783 0 40 GHAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N([C@H](C)C(=O)OC)C1=O 409105102 JDSSPQCBTBQDQZ-PBSOMRJOSA-N 385.441 3.836 0 40 GHAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1nc(-c2cccc(OC)c2)no1 219315559 GDMUXAMVOIKDOT-QGZVFWFLSA-N 381.432 3.527 0 40 GHAB Cc1cc(C)cc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 33740649 MVXITAZJYKSSJZ-UHFFFAOYSA-N 384.860 3.501 0 40 GHAB Cc1[nH]c2ccccc2c1CCNC(=O)c1cn([C@@H](C)c2ccccc2F)nn1 72341649 IGOWGXLOFWSTGH-HNNXBMFYSA-N 391.450 3.789 0 40 GHAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)S1 222601004 VSUZGBJXGXKHDM-BEVDRBHNSA-N 375.501 3.916 0 40 GHAB COC(=O)[C@@H]1CC(=O)N(c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)C1 45887179 NEMDLHCGPMHTPC-CYBMUJFWSA-N 384.819 3.983 0 40 GHAB O=C(NCc1cccc(F)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 43746257 KQCSBLRFPLINHR-UHFFFAOYSA-N 390.461 3.618 0 40 GHAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 222868557 PILNQPAALUVJMB-OALUTQOASA-N 375.490 3.515 0 40 GHAB CCc1cccc(CC)c1NS(=O)(=O)c1cc2oc(=O)n(CC)c2cc1C 223358045 JSOSFEOVSCIOBA-UHFFFAOYSA-N 388.489 3.848 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)c(Cl)c1 224923600 FZGBSJMEELIINT-UHFFFAOYSA-N 393.896 3.564 0 40 GHAB CCc1cccc(C)c1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222655504 QGWGSRVHICMYGA-UHFFFAOYSA-N 392.496 3.881 0 40 GHAB Cc1ccc(CCCNC(=O)c2cccc(I)c2)cc1 224964839 RKIBBMZRZPHASY-UHFFFAOYSA-N 379.241 3.962 0 40 GHAB CCC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 224014091 MMSGJUNFJJUXBM-AVRDEDQJSA-N 396.531 3.960 0 40 GHAB COc1cccc(C(=O)Oc2ccccc2N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 96570028 FACZEUURUWUJOR-IRXDYDNUSA-N 379.412 3.594 0 40 GHAB CC(C)C[C@H](NC(=O)CCc1ccc2c(c1)CCO2)c1nnc2ccccn12 96118730 SJAYUXVOOIPMLH-SFHVURJKSA-N 378.476 3.500 0 40 GHAB COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c(O)ccc2nsnc12 96232343 GKWVCWTYSMVEOA-NSHDSACASA-N 380.372 3.693 0 40 GHAB Cc1nc2nnc3ccc(C(=O)NCc4ccncc4)cc3c2n1-c1ccccc1 96264297 QUWNRUAPGLUCTB-UHFFFAOYSA-N 394.438 3.602 0 40 GHAB CCc1nccn1CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257321494 WBXRZBOLNHLQBQ-KRWDZBQOSA-N 396.466 3.570 0 40 GHAB O=C(CCc1nc2ccccc2[nH]1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 253397493 FSFQYCOLWXJWQG-CYBMUJFWSA-N 393.472 3.623 0 40 GHAB O=C(NC[C@@H]1CCCN(Cc2ccc(C(=O)O)cc2)C1)Nc1cccc(F)c1 263581893 XTVSOMHNVWMNJQ-INIZCTEOSA-N 385.439 3.558 0 40 GHAB CN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1)S(C)(=O)=O 260808262 IAMMSROCAOFXRC-HNNXBMFYSA-N 387.288 3.565 0 40 GHAB Cn1cc(-c2ncccc2NC(=O)NC2(c3c(F)cccc3F)CCC2)cn1 626530674 WZLKXPBGVRPIJJ-UHFFFAOYSA-N 383.402 3.961 0 40 GHAB Cc1ccc([C@H](N[C@@H]2CCCn3ccnc32)c2cccc(S(C)(=O)=O)c2)cc1 655719888 ZWOFXDIBTINOBD-RTWAWAEBSA-N 395.528 3.809 0 40 GHAB O=S(=O)(NCc1nc(C2CCCCC2)cs1)c1cccc2nsnc12 390830041 IJSFCLBUEDBPFV-UHFFFAOYSA-N 394.547 3.674 0 40 GHAB Cc1noc(NC(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)n1 666602335 UZMANDJFXPJYHO-MRXNPFEDSA-N 384.358 3.906 0 40 GHAB CCn1nc(C)c(C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)n1 855683208 BHXWZIJBABZIPI-GOSISDBHSA-N 396.413 3.742 0 40 GHAB Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 100125540 YOGQEDNAPLBIMD-GASCZTMLSA-N 392.377 3.869 0 40 GHAB O=S(=O)(NCC1(c2ccsc2)CCOCC1)c1ccc2c(c1)CCCC2 952989595 JSTLDBHKMGFIQG-UHFFFAOYSA-N 391.558 3.654 0 40 GHAB Cc1cc(Br)cn2c(CNCC(C)(C)C3CCOCC3)cnc12 1179681562 MYIBIIMYEVZYBJ-UHFFFAOYSA-N 380.330 3.948 0 40 GHAB O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccncc2)C1)C1CCCC1 12089239 ROSVHNIZALBHPU-RTBURBONSA-N 384.549 3.798 0 40 GHAB O=C(Nc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1 5715342 ZKAZVDYMDVWOAR-UHFFFAOYSA-N 398.054 3.789 0 40 GHAB O=C(Cc1ccccc1F)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 12158319 VQFLUOZQZPRHLU-INIZCTEOSA-N 397.475 3.517 0 40 GHAB O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCC2 12330207 AKXALPNEXAIYSV-FCHUYYIVSA-N 397.490 3.699 0 40 GHAB CC(C)Oc1ccc(CN2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 19450576 WBGBTPDOVFLSLT-IBGZPJMESA-N 390.487 3.609 0 40 GHAB Nc1ncc(-c2ccc([C@H]3CCCN3C(=O)c3nccc4ccccc34)nc2)cn1 19691753 KRKBGCLFGCGKGX-HXUWFJFHSA-N 396.454 3.646 0 40 GHAB C/C(=C\c1ccccc1)CN1CCC(c2ccc(C(=O)N(C)C)c(N)n2)CC1 19765925 AMLNJMVIDVHBCI-BMRADRMJSA-N 378.520 3.649 0 40 GHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2C(=O)C2CCCC2)n1 19766657 JBCBCANDAHWXKB-IBGZPJMESA-N 384.524 3.701 0 40 GHAB COC(=O)c1c(C)nc2ccn(-c3nccs3)c(=O)c2c1-c1cccc(C)c1 19821626 PDWODEJWKBBJLK-UHFFFAOYSA-N 391.452 3.913 0 40 GHAB CCOc1ccc(CN2C[C@H]3N(CC)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1 19528287 WYDDAIOHZZXORQ-QPPBQGQZSA-N 392.499 3.634 0 40 GHAB COc1cccc(/C=C2\N=C(c3ccc(OC(F)F)c(OC)c3)OC2=O)c1 5703315 DNRDDYOJDJRULA-ZROIWOOFSA-N 375.327 3.650 0 40 GHAB O=C(CNc1ccccc1I)Nc1cccc(Cl)c1 20360630 XZEUCFMNUXVGRP-UHFFFAOYSA-N 386.620 3.995 0 40 GHAB CCC(=O)Nc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)s1 1381693 OCOASUUNLMLVOL-UHFFFAOYSA-N 390.412 3.636 0 40 GHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1 3517782 WTKQGWCMOOMLKR-GJZGRUSLSA-N 390.480 3.745 0 40 GHAB COc1ccc(-c2nc(CCNC(=O)c3ccc(OC)cc3OC)cs2)cc1 4167103 XHZPWRICTZNCES-UHFFFAOYSA-N 398.484 3.808 0 40 GHAB CC(C)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 23181414 RWGLNYQBGNIIPC-OXJNMPFZSA-N 389.540 3.911 0 40 GHAB Cc1nc(-c2ccccc2NC(=O)CCn2cnc3ccccc3c2=O)cs1 208008712 YZRXVLRCEWAFAL-UHFFFAOYSA-N 390.468 3.857 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 5394385 VEUPAQDUEDZUAM-UHFFFAOYSA-N 384.423 3.525 0 40 GHAB O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(O)cc1 13496625 LCLXIBQGTCSGBQ-GUSDSWBTSA-N 380.425 3.623 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2c(-c3ccc(F)cc3)noc2C)N(C)C)cc1 28838665 XZQKQDLGKOYYNM-LJQANCHMSA-N 397.450 3.830 0 40 GHAB CC(C)c1ccc(-n2nnnc2S[C@H](C)c2nnnn2-c2ccccc2)cc1 40127694 ASISPDMGXRRNEU-CQSZACIVSA-N 392.492 3.615 0 40 GHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc4c(c3)OCO4)c12 11608316 KZAXBJNXRSUXDN-UHFFFAOYSA-N 392.440 3.986 0 40 GHAB CN(C)Cc1ccc(CNC(=O)COc2ccc(Oc3ccccn3)cc2)cc1 29438903 WBTLYNMRHLVDDU-UHFFFAOYSA-N 391.471 3.631 0 40 GHAB COC(=O)c1ccc(C)c(NCC(=O)Nc2ccc(C)cc2Br)c1 7976826 OVBQMBIIXMYZCI-UHFFFAOYSA-N 391.265 3.903 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)o2)cc1 875843 YVNZUFVSBGQCDF-HUUCEWRRSA-N 375.494 3.839 0 40 GHAB CCCc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1Cc1ccco1 1355917 ZPPWPABKXZAQDT-GJZGRUSLSA-N 376.526 3.754 0 40 GHAB C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 32474825 AOLRMELZDJSCKB-AUUYWEPGSA-N 382.847 3.957 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)cc1 6656768 SLPGPUKMEUBCNQ-UHFFFAOYSA-N 378.837 3.564 0 40 GHAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 32809588 QKALHUVRFLMWKS-HOTGVXAUSA-N 378.350 3.875 0 40 GHAB O=C(Nc1cccc(NC(=O)[C@@H]2COc3ccccc3O2)c1)c1cccs1 32899813 MSMQOMIJVLBNFJ-KRWDZBQOSA-N 380.425 3.779 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)NCCCCc1ccccc1)c1cccc(F)c1 32802411 PWUHHTRENFAVSV-FQEVSTJZSA-N 380.467 3.971 0 40 GHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)c1C 8414752 ZLJXDTUPXQPMNG-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c(OC)c1 8072005 BMVNGXRHMOTLTD-UHFFFAOYSA-N 392.390 3.829 0 40 GHAB CSc1ccccc1NC(=O)CCN1CCN(C(=O)c2ccc(C)cc2)CC1 52751450 VRJCJYPVWJUZMZ-UHFFFAOYSA-N 397.544 3.504 0 40 GHAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1C 9063522 OFVZQXRPHUIFBQ-UHFFFAOYSA-N 384.451 3.771 0 40 GHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CN1CC=C(c2ccccc2)CC1 33530868 YEEZOWFXPOURKR-XMMPIXPASA-N 387.483 3.517 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)N1CCC(CCc2ccccc2)CC1 22413283 RPEYMMCOPPCVIR-UHFFFAOYSA-N 393.530 3.568 0 40 GHAB COc1cccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)c1 790146 PVONVEJFPBRALB-UHFFFAOYSA-N 391.456 3.555 0 40 GHAB O=C(COC(=O)c1cc2ccccc2s1)Nc1ccccc1C(=O)NC1CC1 23034267 HIJJKZZGCKKUNU-UHFFFAOYSA-N 394.452 3.589 0 40 GHAB Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1-c1cccc(O)c1 1270695 QNOVYPFVJDKYJB-UHFFFAOYSA-N 387.443 3.534 0 40 GHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 24843378 QOMJGZQOGVCUGA-IEBWSBKVSA-N 397.494 3.696 0 40 GHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2ccc(Cl)cc2Cl)c2ccccc21 100485420 LAFOOURCLAWFIG-SFHVURJKSA-N 393.270 3.986 0 40 GHAB Cn1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 107054343 FXYOLELHNLFUJQ-CYBMUJFWSA-N 386.843 3.535 0 40 GHAB O=C(Nc1cccc(CNC(=O)c2cccc3cccnc23)c1)c1ccncc1 55986805 KSBBNOJNHIQJKE-UHFFFAOYSA-N 382.423 3.812 0 40 GHAB CC(=O)c1ccc(OC[C@@H](O)CN(C)[C@@H](C)c2nc3ccccc3s2)cc1 35288644 QCWISTPWVGSXET-YOEHRIQHSA-N 384.501 3.932 0 40 GHAB Cc1cc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)n(Cc2ccccc2)n1 44075560 QWIITXFXCUSCEZ-LJQANCHMSA-N 393.491 3.791 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1Cl 20488465 MXRNGPPBRWFFBI-UHFFFAOYSA-N 383.853 3.635 0 40 GHAB CCc1cc(=O)n(CC(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc(Cl)c2)n1 57527577 NELKHMCVFGLKDY-GJZGRUSLSA-N 387.911 3.631 0 40 GHAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(c2nc3ccccc3o2)CC1 57552582 SCJIARQECCUUOU-CQSZACIVSA-N 393.443 3.763 0 40 GHAB CCCN(Cc1nnc(-c2ccco2)o1)Cc1cc(=O)oc2c(C)c(O)ccc12 57703771 VKQWTCXKRBAGGW-UHFFFAOYSA-N 395.415 3.862 0 40 GHAB CCCCOc1nc2ccccc2nc1NS(=O)(=O)c1ccc(F)cc1 3289803 HLTDXFVSSJKSAR-UHFFFAOYSA-N 375.425 3.749 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccccc3-n3ccnc3C)cc2)n1 116197134 PPFMRHZSRTZPMA-UHFFFAOYSA-N 399.498 3.972 0 40 GHAB O[C@H](CSc1nnc(NC2CCCCC2)s1)c1ccc2c(c1)OCO2 58017389 PXYZPLWLLXNFAZ-CYBMUJFWSA-N 379.507 3.837 0 40 GHAB CC(=O)Nc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1 10137143 QHUDNIXDXNLVQO-IBGZPJMESA-N 385.533 3.910 0 40 GHAB O=C(Nc1ccc(Cc2ccncc2)cc1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 58289442 FOKNGFNSEVCHOM-FGZHOGPDSA-N 395.503 3.864 0 40 GHAB Cc1ccc(CNC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 3326257 POBWPKQIRKVSGY-UHFFFAOYSA-N 389.484 3.532 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ccccc1Cl 58854077 FSKIKKKVPQQEMT-UHFFFAOYSA-N 386.835 3.529 0 40 GHAB COc1ccc(C)cc1-n1nnnc1SCc1nc2ccccc2nc1C 3363136 ULWPYDBVPYXJDV-UHFFFAOYSA-N 378.461 3.523 0 40 GHAB CCCCn1nc(C)c2c(C(=O)NCCn3nc(C)cc3C)cc(C3CC3)nc21 36616573 XKFDMHLEOADLPW-UHFFFAOYSA-N 394.523 3.661 0 40 GHAB Cc1ccc(-n2ncc3c2ncn2nc(-c4cccc(O)c4)nc32)cc1Cl 2419284 SFQVCKDLEBKALE-UHFFFAOYSA-N 376.807 3.798 0 40 GHAB CCC(CC)[C@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)N1CCOCC1 12773009 NACMSGTXVADOOT-KRWDZBQOSA-N 391.314 3.999 0 40 GHAB Cn1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1=O 48374518 PLKIBGBJRFVBJQ-QGZVFWFLSA-N 394.302 3.685 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1SC[C@@H]1CCCO1 48331555 DBVBUJOLESUGNQ-JKSUJKDBSA-N 385.485 3.528 0 40 GHAB O=C(COC(=O)c1ccc(Br)cc1)NCCc1ccc(Cl)cc1 3508591 RWBZEQUTSWJXDA-UHFFFAOYSA-N 396.668 3.618 0 40 GHAB COc1cc(/C=C/C(=O)Nc2ccc(NC(C)=O)c(C)c2)cc(OC)c1OC 12949804 YHRRJJQLDDZMIQ-RMKNXTFCSA-N 384.432 3.631 0 40 GHAB C[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2o1 12987074 QCURTPOKVUWWCH-LBPRGKRZSA-N 377.849 3.737 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCCOCc1ccccc1 12977475 ROBXPJNXJPYASP-UHFFFAOYSA-N 377.488 3.755 0 40 GHAB O=C(Nc1cccc2c1CCCC2)c1cccc(S(=O)(=O)N2CCCC2)c1 13011605 RVLKLWNUZSXUJL-UHFFFAOYSA-N 384.501 3.602 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)N2CCCC[C@@H]2C)cc1 8279354 HHLSFGKOBPTDBB-INIZCTEOSA-N 382.460 3.727 0 40 GHAB CCOC(=O)c1c(C)oc2ncn(Cc3ccc(C(F)(F)F)cc3)c(=O)c12 8252430 QFWJRRHIPQBWAW-UHFFFAOYSA-N 380.322 3.542 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(OC(C)C)cc2)c1C 4331860 KMXPXPJFDPEPCQ-CQSZACIVSA-N 387.432 3.634 0 40 GHAB Cc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4)C3)s2)cc1 13944220 SREUJMNIHVFADB-HNNXBMFYSA-N 378.457 3.619 0 40 GHAB Cc1cccc(C)c1-n1nnnc1S[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 14076014 XSCWTYQGOZWXIX-GOSISDBHSA-N 397.479 3.530 0 40 GHAB O=c1c2ccc(Cl)cc2ncn1C[C@H](O)COc1cccc2ccccc12 14183562 CQCGZWZTQLUSFS-INIZCTEOSA-N 380.831 3.643 0 40 GHAB C[C@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)OCC(N)=O)c2C1 20821597 HQMKCRRTFZEMAV-UQRISPGASA-N 376.412 3.593 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc(F)cc1 4555378 RCJPZTGOLODVTG-QHCPKHFHSA-N 393.389 3.972 0 40 GHAB Cc1c(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)oc2ccccc12 14252513 WJKCYGBKNRDMIO-UHFFFAOYSA-N 382.847 3.993 0 40 GHAB NC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1 6590613 IJNGTFWIHRASCX-GOSISDBHSA-N 386.883 3.678 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)c1 6628247 LDZWFJGFYNNBOJ-UHFFFAOYSA-N 375.354 3.614 0 40 GHAB Cc1nc(SCc2cc(Cl)c3c(c2)OCCO3)c(C(N)=O)c(C)c1C 8705332 ZHCSIYVBWNBBJX-UHFFFAOYSA-N 378.881 3.823 0 40 GHAB Fc1cccc(-n2c(SCCc3ccccc3)nnc2N2CCOCC2)c1 7067963 FHUQPBSWIINKRN-UHFFFAOYSA-N 384.480 3.578 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)/C=C/c1cnn(-c2ccccc2)c1 7117687 BJBDZYCZTPJRMI-INMULRNOSA-N 398.470 3.686 0 40 GHAB C[C@H](NC(=O)CSc1nnnn1-c1ccccc1)c1ccc2c(c1)CCCC2 7745255 PFNQQRLCPQKLPT-HNNXBMFYSA-N 393.516 3.511 0 40 GHAB Cc1ccc(-c2csc3ncnc(SCC(=O)N4CCOC4=O)c23)cc1 7821436 FIKMLTGWEOLHDE-UHFFFAOYSA-N 385.470 3.738 0 40 GHAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)S(=O)(=O)c1ccc(C)cc1 9233899 DOGPDFGKCUTSMC-UHFFFAOYSA-N 384.501 3.746 0 40 GHAB C[C@@H](Nc1ccc2c(c1)NC(=O)CS2)C(=O)Nc1ccc(F)cc1Cl 9322951 CEBZUTIJGMANGY-SECBINFHSA-N 379.844 3.962 0 40 GHAB CC(C)[C@@H](CCNC(=O)Cn1cnc2ccccc2c1=O)c1ccc(Cl)cc1 9418657 ZYHDUVWRQAPOBZ-GOSISDBHSA-N 397.906 3.996 0 40 GHAB CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)on1 9532489 FCSHCZPRKYPOQW-UHFFFAOYSA-N 398.492 3.691 0 40 GHAB Cc1nc(Cn2ccnc2[C@H]2CN(c3ncccn3)Cc3ccccc32)cs1 306123965 BBQCWFQUTGURGB-IBGZPJMESA-N 388.500 3.638 0 40 GHAB O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H]1CCCOc2ccc(F)cc21 95369421 OSNQTBAMPBEPNG-SECBINFHSA-N 376.335 3.731 0 40 GHAB COc1ccc2c(c1)OC[C@H](C(=O)NCc1ccc(Oc3ccccc3)nc1)C2 89467005 XMJWWAAHRFXAEN-GOSISDBHSA-N 390.439 3.750 0 40 GHAB COc1cccc(NC2CCN(C(=O)c3cnc(-c4cccnc4)s3)CC2)c1 89470251 ZRVHURZJIUYWTR-UHFFFAOYSA-N 394.500 3.930 0 40 GHAB O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1F 28977627 QOSLAIPRCZYZLP-ZSOIEALJSA-N 376.390 3.845 0 40 GHAB O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCO2 408623915 SRXGAYZSACKRMB-UHFFFAOYSA-N 383.256 3.891 0 40 GHAB CCCc1nc(C)sc1C(=O)/N=c1\[nH]c(C(=O)OC)c(CC(C)C)s1 72402370 RDFWCJMQFCPUOT-UHFFFAOYSA-N 381.523 3.520 0 40 GHAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1F 72377132 UXTCHNJHMUVQPG-INIZCTEOSA-N 397.479 3.997 0 40 GHAB COc1cccc2cc(C(=O)Nc3cccc(-c4ccc5nncn5n4)c3)oc12 38486304 IJQIGQFLGIOPHN-UHFFFAOYSA-N 385.383 3.798 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2cn(C3CC3)c(=O)c3ccccc23)nc1C 71284761 CNDNFIIUNGQZLG-UHFFFAOYSA-N 397.456 3.530 0 40 GHAB CCc1ccc(NC(=O)c2sc3ncn(C[C@@H]4CCCO4)c(=O)c3c2C)cc1 35673322 HSNFMJBKHILMAJ-INIZCTEOSA-N 397.500 3.760 0 40 GHAB COc1cccc(-c2noc(CNC(=O)c3cc4ccccc4cc3OC)n2)c1 219395410 UFZLFNJUWNTKLV-UHFFFAOYSA-N 389.411 3.837 0 40 GHAB Cc1cc(C(=O)N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)c(C)o1 36673268 NFTJWKVLOPUMMO-UHFFFAOYSA-N 377.416 3.747 0 40 GHAB CCn1ccc(C(=O)N2CCC[C@H](c3nccnc3Oc3cccc(F)c3)C2)n1 72362972 KOUFLWMWNIYCPU-HNNXBMFYSA-N 395.438 3.644 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nc(-c2cccn2C)no1 225765330 RKYQNFDSXBYGFN-UHFFFAOYSA-N 397.822 3.622 0 40 GHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 223497378 CJBHMICTIVVTDR-HXUWFJFHSA-N 386.923 3.869 0 40 GHAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)Cn1c(S)nnc1-c1cccs1 40113081 IHBFJUSBPJKKCT-NSHDSACASA-N 392.937 3.696 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1 225728982 LSQPZRDMFVBAKW-UHFFFAOYSA-N 398.887 3.691 0 40 GHAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1 222730746 MODHDIVVOUCGSC-ZDUSSCGKSA-N 395.286 3.536 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(CC)cc1 224731992 ZYCSJSFMLJJOCS-IBGZPJMESA-N 396.531 3.880 0 40 GHAB COc1ccc(C(=O)N2CCN(C)CC2)cc1COc1ccc(Cl)c(C)c1 224208978 QCCWGECRQJYBEF-UHFFFAOYSA-N 388.895 3.624 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2ccc(C(=O)C3CCCCC3)cc2)CC1 80340447 UANQCEJEPRIBAM-UHFFFAOYSA-N 386.492 3.800 0 40 GHAB COC(=O)C1CCN(C(=O)COc2ccc(Oc3ccc(C)cc3)cc2)CC1 40047140 MORNLUIWBPGFPL-UHFFFAOYSA-N 383.444 3.578 0 40 GHAB O=C(Nc1cnc(-c2ccccc2)nc1)c1nc(N2CCCCC2)ncc1Cl 40141649 TXNDGXSSJNRMPJ-UHFFFAOYSA-N 394.866 3.830 0 40 GHAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 222868372 PILNQPAALUVJMB-RTBURBONSA-N 375.490 3.515 0 40 GHAB CCOC(=O)c1cnc(NC(=S)N[C@H](C)c2ccc(Cl)cc2)nc1C 225198664 LIZADOKXZCLUJI-SNVBAGLBSA-N 378.885 3.663 0 40 GHAB CN1C(=O)CC[C@@H](C(=O)NCCCc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 223281942 RXLBWDSAGHTJJE-CTNGQTDRSA-N 386.442 3.623 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1 225419636 ZHJGBTODXSLJKC-OALUTQOASA-N 396.531 3.878 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=S)Nc1cccc(N2CCCC2=O)c1 225584610 IEWKDNKPYXOCTB-SFHVURJKSA-N 388.581 3.754 0 40 GHAB COc1ccc(NC(=O)c2ccc(C)cc2I)c(OC)c1 225010612 KRFHGUJLBYEPHY-UHFFFAOYSA-N 397.212 3.869 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCSCc1ccccc1 225434456 ZJZSAENLILPOSP-INIZCTEOSA-N 388.508 3.612 0 40 GHAB CC(C)CNC(=O)C[C@H]1CC2(CCN(C(=O)CC3CC3)CC2)Oc2ccccc21 96243342 XBVLNIRDVMVKSN-IBGZPJMESA-N 398.547 3.876 0 40 GHAB COC(=O)C[C@H](c1ccco1)c1oc(CSc2ccccc2)cc(=O)c1O 95477900 RFMHAOKALFHUAG-OAHLLOKOSA-N 386.425 3.926 0 40 GHAB Cc1cc(C)cc(OCC(=O)N2N=C3CC[C@H](C)C[C@@H]3[C@]2(O)C(F)(F)F)c1 245294933 CGHKVGYQAFNXNA-GYOIFBIXSA-N 384.398 3.568 0 40 GHAB CC(C)CC(=O)N1CCC(CNc2ccc(Cc3nnc4n3CCC4)cc2)CC1 585080782 YTBXPKDKCUHUFA-UHFFFAOYSA-N 395.551 3.512 0 40 GHAB CCO[C@@]1(C)C[C@H]1NC(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 529104659 APIJYMLHKQHBHY-OFNKIYASSA-N 393.487 3.507 0 40 GHAB CCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCCC[C@H]2C)n1 260733092 FEFFALXMUPMLEY-MRXNPFEDSA-N 390.601 3.788 0 40 GHAB COc1ccc2nc(N3CCC([C@H]4CCCCCN4C(C)=O)CC3)c(C)nc2c1 645036107 FJEJXCMIJKRRGG-JOCHJYFZSA-N 396.535 3.954 0 40 GHAB O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1ccccc1-n1ncc2c(O)ncnc21 668100701 VIRDOWMYOCPIOX-DNVCBOLYSA-N 399.401 3.675 0 40 GHAB O=C(c1ccnn1C1CCOCC1)N1CCSC[C@H]1c1ccc(Cl)cc1 668837608 RSHOLSWCMDMMRU-SFHVURJKSA-N 391.924 3.818 0 40 GHAB NCC[C@@H]1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C1 1263212949 HOMIJBSDTMVREQ-CQSZACIVSA-N 384.867 3.597 0 40 GHAB COCc1ccc(NC(=O)[C@](C)(OC)C(=O)OC(C)(C)C)cc1C(F)(F)F 598190077 GINDTRCJKAFACP-KRWDZBQOSA-N 391.386 3.537 0 40 GHAB Cn1nnc2c1CC[C@H](NC(=O)Nc1cccc(-c3cccc(Cl)c3)c1)C2 585090847 QRCNGWGZHRDGMA-KRWDZBQOSA-N 381.867 3.815 0 40 GHAB CN(CC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccccc1 58157356 YMENLVVXKWOJOS-UHFFFAOYSA-N 381.457 3.656 0 40 GHAB O=C(CSCc1ccccc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 77197707 ZSJISUUVRVMRDL-UHFFFAOYSA-N 385.411 3.728 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(C(=O)C3CCC3)C2)on1 12123508 HGQUBFBCEVAEID-MRXNPFEDSA-N 379.464 3.507 0 40 GHAB O=C1C[C@@H](c2cc(F)cc(F)c2)Cc2c1cnc1[nH]n(-c3ccccc3)c(=O)c21 13611278 ZEXISUMBIXWEDO-ZDUSSCGKSA-N 391.377 3.905 0 40 GHAB Cc1nc(NC(=O)COc2ccc(Cl)cc2Cl)nc2c1C(=O)C[C@@H](C)C2 13636171 FZLJHPKRQYOWIB-VIFPVBQESA-N 394.258 3.874 0 40 GHAB COc1ccc(Cc2n[nH]c(Nc3ccc(Cl)c(Cl)c3)nc2=O)cc1 16777420 BOLUILLCVJBQCZ-UHFFFAOYSA-N 377.231 3.815 0 40 GHAB O=C(c1cc(-c2ccncc2)c2cnccc2n1)N(Cc1cccnc1)C1CC1 19338544 HJCMSRNOFOCKQI-UHFFFAOYSA-N 381.439 3.892 0 40 GHAB COC(=O)c1ccc(C(Br)(Br)Br)cc1 16123920 JVGOHYPPKZFDAL-UHFFFAOYSA-N 386.865 3.768 0 40 GHAB CCOC(=O)COc1cccc(NC(=O)c2cc(F)ccc2Br)c1 36394403 GNVBNGJQZAIUDS-UHFFFAOYSA-N 396.212 3.782 0 40 GHAB COc1ccc(CN2CCC(COc3ncc(Br)cn3)CC2)cc1 1888869608 MREHDPTZQYCAQQ-UHFFFAOYSA-N 392.297 3.539 0 40 GHAB CCOC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(C)cc1 2720686 LJXRQWWSWQGNIR-UHFFFAOYSA-N 393.468 3.831 0 40 GHAB CCCn1cc(S(=O)(=O)c2ccc(OCC)cc2)c(=O)c2cc(F)ccc21 4193317 ALBWLABZYKYEFS-UHFFFAOYSA-N 389.448 3.782 0 40 GHAB CS(=O)(=O)N1CCCc2ccc(NC(=O)c3cccc4ccccc34)cc21 5136767 VAWDLXTWAPRPBJ-UHFFFAOYSA-N 380.469 3.804 0 40 GHAB COc1cccc(C(=O)N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)c1 1775965729 CLDAWKVZKSBQMC-UHFFFAOYSA-N 383.492 3.714 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3ccc(O[C@H]4CCSC4)nc3)CC2)c1C 225716515 YNSFHZZLRNZVAN-IBGZPJMESA-N 397.544 3.545 0 40 GHAB O=C(c1ccc2nsnc2c1)N1CCC(Oc2nc3ccccc3s2)CC1 49028606 IMGNOFYSPBKBGF-UHFFFAOYSA-N 396.497 3.985 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@@H](c2csc3ccccc23)N(C)C)cc1 575618678 AXJABULDMUXBRP-SFHVURJKSA-N 382.485 3.721 0 40 GHAB O=S(=O)(NCC[C@H](CCO)c1cccs1)c1ccc(C(F)(F)F)cc1 575608322 SKVGAXAHYGFBEM-GFCCVEGCSA-N 393.452 3.602 0 40 GHAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)Nc2cccc3ccccc23)C1 2087580 IUVMARZZCXRKGP-DOTOQJQBSA-N 375.497 3.818 0 40 GHAB biogenic Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 30030559 SIHVRONZYRNOFL-QGZVFWFLSA-N 383.517 3.534 0 40 GHAB COCc1nnc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)s1 40288480 AXKIFKVCEJISKB-UHFFFAOYSA-N 378.457 3.945 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N3)cc1 31814298 QERKVOPKASMNHA-INIZCTEOSA-N 395.850 3.737 0 40 GHAB O=c1c(Cl)c(NC2CCC(O)CC2)cnn1-c1cccc(C(F)(F)F)c1 51129478 XGKXSQJTPXCATO-UHFFFAOYSA-N 387.789 3.620 0 40 GHAB O=C1[C@H]2N=NN(Cc3c(F)cccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 101168124 DNBUATFXBNGHIX-GJZGRUSLSA-N 393.205 3.626 0 40 GHAB O=C1[C@H]2C(c3ccccc3Cl)=NO[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 101342497 VCGITXLYQZELCE-DZGCQCFKSA-N 395.629 3.939 0 40 GHAB CC1CCN(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)CC1 2626048 BHJISCCUPGUQFR-UHFFFAOYSA-N 378.428 3.910 0 40 GHAB CCOc1cc(CO)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 2554810 JYDXDLZOAJLVBH-UHFFFAOYSA-N 394.265 3.666 0 40 GHAB CC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1 3312556 UHVHJHCLJQDKMY-UHFFFAOYSA-N 388.423 3.722 0 40 GHAB COc1ccc(C(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1OC 21231231 GUZKGSSZYUXJGE-UHFFFAOYSA-N 394.427 3.546 0 40 GHAB C[C@H]1Oc2ccc(-c3csc(NC(=O)c4cccc(F)c4)n3)cc2N(C)C1=O 11967490 MVJXHOFFMOCDHH-LLVKDONJSA-N 397.431 3.945 0 40 GHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102151407 WLRKQGSQHHILMT-PDWMJMLSSA-N 381.472 3.946 0 40 GHAB CCOc1ccc(C(C)=O)cc1CN(C)S(=O)(=O)c1cccc(Cl)c1 21325397 ROCZDJIPIVAGSE-UHFFFAOYSA-N 381.881 3.762 0 40 GHAB CCc1nnc(NC(=O)c2cccnc2SCc2c(C)noc2C)s1 32727084 LZPUXFKZNFBVEU-UHFFFAOYSA-N 375.479 3.645 0 40 GHAB COc1cc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)ccc1OC(C)C 32898916 DYIMASBIDVDDQY-UHFFFAOYSA-N 397.471 3.923 0 40 GHAB CCn1c(SCC(=O)NC(C)(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 6544035 OVTRFCPKWRTIGV-LLVKDONJSA-N 393.578 3.610 0 40 GHAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)cc1 6880465 VZAPZOFBSCKNNE-UHFFFAOYSA-N 390.505 3.516 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 7504880 UVGCKVKFCNULSF-HXUWFJFHSA-N 388.895 3.855 0 40 GHAB C/C=C/C(=O)OCC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1 7737374 BSRSFJZWIZVNCW-XVNBXDOJSA-N 375.428 3.906 0 40 GHAB Cc1ccc2oc(C(=O)NC[C@H](c3ccc(C)o3)N3CCCC3)cc(=O)c2c1 21659783 KEVCBTCLLGPWLZ-QGZVFWFLSA-N 380.444 3.570 0 40 GHAB CCC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10326244 YFXGIMCYZLKFPQ-CVEARBPZSA-N 386.517 3.745 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cccc(C)c2)n1 8476911 NTEBSCSJIMWDTG-UHFFFAOYSA-N 384.867 3.662 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)CSc1nc2ncc(Cl)cc2[nH]1 8776675 JOYWCIGJHOWXHE-JTQLQIEISA-N 376.869 3.589 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)CC(C)C)o2)cc1 9062277 XEUNKFRRLIPQBX-UHFFFAOYSA-N 394.431 3.982 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)Cc1csc(-c2cccc(F)c2)n1 22464567 FSUDWYQTZMYGDN-CXAGYDPISA-N 390.480 3.730 0 40 GHAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCC(c2nc(-c3ccccn3)no2)CC1 43014306 IIPPFWIHUHXQNA-IEBWSBKVSA-N 389.459 3.577 0 40 GHAB in-vivo O=C(/C=C/c1nc2ccccc2s1)NC[C@H](c1cccs1)N1CCOCC1 24574638 IJCPMHKEXSKWMD-KXPUMZMLSA-N 399.541 3.561 0 40 GHAB O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccccc1Cl 1320406 IRTKFHNZUNUISQ-INIZCTEOSA-N 380.625 3.515 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3cccnc3)CC2)n1 100738809 YDEIEAJHVQKUAY-IZAXUBKRSA-N 387.487 3.946 0 40 GHAB Nc1c(Cl)cc(NC(=O)c2ccc(Cn3ccccc3=O)o2)cc1Cl 26024348 NTELYSIWCWTAPP-UHFFFAOYSA-N 378.215 3.631 0 40 GHAB CCCn1c(SCC(=O)Nc2ccccc2OC)nc2ccsc2c1=O 57425126 BBOSSVWLLPVJPW-UHFFFAOYSA-N 389.502 3.607 0 40 GHAB Cc1ccc(-c2csc3ncnc(SCC(=O)N4CCOCC4)c23)cc1C 1935943 COURRAPMMHNPKY-UHFFFAOYSA-N 399.541 3.926 0 40 GHAB Cc1c(Cl)cccc1N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 27530674 WFCOBAXSZWZQAF-UHFFFAOYSA-N 385.316 3.813 0 40 GHAB O=C1COc2ccc(C(=O)C3CCN(Cc4ccccc4Cl)CC3)cc2N1 58218536 NGMFDFXUAGSUFD-UHFFFAOYSA-N 384.863 3.766 0 40 GHAB O=C(COc1ccc(N2CCCC2=O)cc1)OCc1nc2ccccc2s1 25319050 FNYVQQYRPILOEM-UHFFFAOYSA-N 382.441 3.545 0 40 GHAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(OCC(F)(F)F)nc1 58313213 LJJMVRYBJMYFDU-UHFFFAOYSA-N 397.744 3.509 0 40 GHAB CC[C@@H](C)NC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2253288 SUQBIYUCMZQGQN-CYBMUJFWSA-N 391.450 3.882 0 40 GHAB Cc1nc2sc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2 2299674 XSRHMWOOKAOCMJ-LBPRGKRZSA-N 384.505 3.990 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)c(C)c1 10666995 HJEAQJWLNGAMDF-QFIPXVFZSA-N 395.480 3.967 0 40 GHAB CCCc1ccc([C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3=O)C(C)C)cc1 36395509 OKYOTDXFMNKUJZ-OAQYLSRUSA-N 380.488 3.974 0 40 GHAB O=C(O)c1ccc2c(c1)c([C@@H](C(=O)O)N1CCCCC1)cn2Cc1ccccc1 36354753 NUSWLXHLGSJUQK-NRFANRHFSA-N 392.455 3.999 0 40 GHAB O=C(CC1CC1)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 306136731 QBJXUHBPLOZSSG-UHFFFAOYSA-N 377.488 3.970 0 40 GHAB O=c1c2cc(-c3ccccc3)sc2ncn1C[C@@H](O)COCc1ccccc1 12788761 YQDPVQIQBVZHCL-GOSISDBHSA-N 392.480 3.703 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(Br)o2)cc1 48356296 YEROFMYBWJKZNL-NSHDSACASA-N 379.254 3.500 0 40 GHAB CCOc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 3482862 RAKGHEYSUQATAD-UHFFFAOYSA-N 377.444 3.774 0 40 GHAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cc(-c3ccco3)on2)CC1 48477706 SOQPWSNLAFUTPT-UHFFFAOYSA-N 386.354 3.948 0 40 GHAB O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3548461 WYIKMTVDULTYQW-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCCc1cccs1 12909889 CBIOLRAWPYCBIN-UHFFFAOYSA-N 380.469 3.629 0 40 GHAB C[C@@H](NCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)c1ccc2c(c1)OCCO2 12996601 XRTJIBQYZVOVRU-IAGOWNOFSA-N 394.515 3.865 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)O[C@@H](CC)C(=O)c3ccccc3)CC2=O)cc1 5002141 BIEFPAAWHADZIZ-XLIONFOSSA-N 395.455 3.643 0 40 GHAB CC(C)CCNC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 5047299 CYBURIHUYIBPHD-UHFFFAOYSA-N 387.487 3.991 0 40 GHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)c(OC)c1 4262965 WQVWBEJAKLWSPF-FQEVSTJZSA-N 395.459 3.587 0 40 GHAB CC1=NN(c2ccc(C(=O)NCc3ccc(OCC(F)(F)F)nc3)cc2)CC1 49749761 QBVGKLRIXHRKCJ-UHFFFAOYSA-N 392.381 3.539 0 40 GHAB CC(C)c1nc(Cn2nc(-c3ccc4c(c3)OCCCO4)ccc2=O)cs1 65504835 SBPSRTJFULCXQV-UHFFFAOYSA-N 383.473 3.700 0 40 GHAB COc1ccc(CC(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1OC 6424446 HAJUHXVKTVPZCO-UHFFFAOYSA-N 379.412 3.581 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc(Br)cc1 27298778 UBOBIEAJKFWSLE-CYBMUJFWSA-N 375.266 3.525 0 40 GHAB COc1ccc(CNC(=O)CN[C@@H](C)c2ccc3c(c2)CCCC3)cc1OC 14183631 AUMVENQVJZKHRK-INIZCTEOSA-N 382.504 3.550 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@H]2Cc3ccc(C)cc3C(=O)O2)sc(C)c1C 4540076 BBRJUNLTNUPQTI-OAHLLOKOSA-N 387.457 3.570 0 40 GHAB O=C(Nc1ccc2cn[nH]c2c1)c1cc2cc(Br)ccc2oc1=O 4594267 SMJZURBQXYMLKQ-UHFFFAOYSA-N 384.189 3.684 0 40 GHAB COc1ccc(S[C@H](C)C(=O)NCc2ccccc2-n2ccnc2)cc1OC 20487010 VCIVHMNYUDHWHJ-OAHLLOKOSA-N 397.500 3.687 0 40 GHAB COc1ccc(C(=O)N[C@@H](CCSC)C(=O)Nc2ccccc2Cl)cc1 9219346 ZHMAIDMOLRYAFC-KRWDZBQOSA-N 392.908 3.839 0 40 GHAB CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C2CC2)cc1 4704165 MTIHXVBBZYRQQL-FQEVSTJZSA-N 391.471 3.886 0 40 GHAB COC[C@@H](C)n1c(SCCOc2ccccc2F)nc2ccccc2c1=O 6784561 CDGXJKNJHRJYDX-CQSZACIVSA-N 388.464 3.914 0 40 GHAB CN1CCc2c(sc3c2C(O)=N[C@H](c2cc4c(cc2Cl)OCO4)N3)C1 6732677 VUMVLCKGZYNDIB-HNNXBMFYSA-N 377.853 3.547 0 40 GHAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1OC 14898763 BJCCIHLQVXUPEF-UHFFFAOYSA-N 392.415 3.806 0 40 GHAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)C1CCN(C(=O)C2CC2)CC1 14912235 QODNWCSZZKOQTE-UHFFFAOYSA-N 389.927 3.917 0 40 GHAB CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccc(OC)cc1 6847059 ONLBRAZIGAAXBV-SFHVURJKSA-N 396.516 3.895 0 40 GHAB Cc1ccc(-c2cc(NC(=O)CSc3nnc(-c4ccco4)n3C)on2)cc1 6880296 XESUSLOFCVRUQV-UHFFFAOYSA-N 395.444 3.769 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)COC(=O)CSc2nc3ccccc3o2)cc1C 5969371 ULQIGJFPYOWCEG-OAHLLOKOSA-N 398.484 3.957 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 15328575 ZQXRKJFDDRKNBG-JTQLQIEISA-N 388.272 3.820 0 40 GHAB CC(C)(C)c1ccc(OCCC(=O)Nc2ccccc2SCC(N)=O)cc1 15520170 OYDYNPCEEIHJPG-UHFFFAOYSA-N 386.517 3.969 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 15619253 XWAQNQIQFYYQPN-ZDUSSCGKSA-N 397.500 3.854 0 40 GHAB COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)no2)cc1 15859687 KRTQUYLPASGGLN-LJQANCHMSA-N 395.459 3.900 0 40 GHAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc(C(=O)NC)c2)CC1=O 7778017 MUPXCSJEPAXHHU-DOTOQJQBSA-N 393.487 3.551 0 40 GHAB O=C(CN1CCc2sccc2[C@H]1C1CC1)NCCc1c[nH]c2ccccc12 7880496 LGVDHQYSCYAFEO-JOCHJYFZSA-N 379.529 3.898 0 40 GHAB Cc1ccc(NC(=O)Cc2nc(-c3cc(C)n(-c4ncn[nH]4)c3C)cs2)cc1 7844209 CCJKFJDIGSKVDG-UHFFFAOYSA-N 392.488 3.825 0 40 GHAB COCCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)nc2ccccc21 7983019 FIIVTZIRZPAVEC-LBPRGKRZSA-N 390.896 3.850 0 40 GHAB O=c1c(-c2ccccc2)nnc2sc(-c3ccc(Br)cc3)nn12 8393672 TXWXDLIWWKNFGG-UHFFFAOYSA-N 385.246 3.643 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NC[C@H](c1ccccc1)N(C)C 8342356 ONQKLRLVYIZJDT-HSZRJFAPSA-N 390.531 3.841 0 40 GHAB Cc1ccc(-c2nc(C[S@@](=O)[C@@H](C)C(=O)Nc3cc(C)on3)cs2)cc1 71801247 IPHFQDZCLXFJLR-NRRJATNASA-N 389.502 3.691 0 40 GHAB O=c1c2c(-c3ccccc3)csc2ncn1C[C@@H](O)COCc1cccs1 9690500 JUGUUBXJPDTFKT-OAHLLOKOSA-N 398.509 3.764 0 40 GHAB COc1ccccc1-c1nnc(CN(C)[C@@H]2CCCN(c3ccccc3)C2)o1 78969227 DOIRDAAUBBXRMG-GOSISDBHSA-N 378.476 3.846 0 40 GHAB CCOC(=O)c1c(NC(=O)CN(CC)c2ccccc2)sc(C(C)=O)c1C 408545918 BMIHKZWBZUNDSF-UHFFFAOYSA-N 388.489 3.901 0 40 GHAB CN1CC2(CCN(Cc3cccc(F)c3)CC2)c2nc(C(C)(C)C)ncc2C1=O 306124860 CAYGCIMLXLBXTL-UHFFFAOYSA-N 396.510 3.533 0 40 GHAB CC(C)Cn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccncc1 409101560 YGXMZRCWDHWTFV-HOTGVXAUSA-N 387.553 3.878 0 40 GHAB Cn1cnc2c(C(=O)N3CCc4ccccc4[C@@H]3Cc3ccccc3)ccnc21 503231098 LMAZLTHJGXVMEM-NRFANRHFSA-N 382.467 3.951 0 40 GHAB O=C1NCCN(C(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)[C@@H]1c1ccccc1Cl 529017741 MAYAQEWEWMRKRZ-FRQCXROJSA-N 386.854 3.672 0 40 GHAB COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)n2)c1 219303942 NFRPJQLOGCURGT-MRXNPFEDSA-N 395.459 3.754 0 40 GHAB COc1cccc(-c2noc(CNC(=O)COc3cccc4ccccc34)n2)c1 218916152 BQHCUQWZZQJHPD-UHFFFAOYSA-N 389.411 3.594 0 40 GHAB C[C@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1)c1ccccc1 217444772 HIBMDIIQWBRQLQ-AWEZNQCLSA-N 388.489 3.779 0 40 GHAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NCCCOC)C12CCCCC2 70666662 LRCZQWFTWFLRIR-YLJYHZDGSA-N 386.536 3.880 0 40 GHAB biogenic Cn1ncc2c(=O)n(CCC(=O)OC3CCCCCCCCCCC3)cnc21 32878804 ZELKUUVSTHQGAP-UHFFFAOYSA-N 388.512 3.737 0 40 GHAB Ic1cccc(-c2nc3ccc(-n4cnnc4)cc3o2)c1 70461324 DMTZUDCAOLUXGL-UHFFFAOYSA-N 388.168 3.680 0 40 GHAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 219583371 TWHYYWADFYIFLP-MSOLQXFVSA-N 393.480 3.654 0 40 GHAB CN(c1ccc2sc(C(=O)Nc3ccc(F)cc3F)cc2c1)S(C)(=O)=O 46058053 KQTNNTRFEBVIMC-UHFFFAOYSA-N 396.440 3.828 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(CC)cc1 224257260 WVKNVQSOKJRNTD-JOCHJYFZSA-N 396.531 3.880 0 40 GHAB Cc1ccccc1OCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C 224484047 VRLGRPBNNWSLHB-HXUWFJFHSA-N 396.531 3.606 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)c1 224855004 JAXGKBDJDVRRKM-PMACEKPBSA-N 394.500 3.614 0 40 GHAB O=C(NC1Cc2ccccc2C1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 44903323 VEPKTALKGKPPCF-UHFFFAOYSA-N 395.842 3.769 0 40 GHAB COC(=O)C[C@H](NC(=O)c1csc(-c2ccccn2)n1)c1ccc(C)cc1 48362956 GGWXNRYPYFJXEK-INIZCTEOSA-N 381.457 3.548 0 40 GHAB COC(=O)C1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 45089834 MLIUNTSBGLYWQP-UHFFFAOYSA-N 376.305 3.638 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)c2cccnc12 223252107 ORAQRPHUJOMELC-UHFFFAOYSA-N 393.262 3.807 0 40 GHAB Cc1nccn1-c1ccccc1CNC(=O)Cc1cccc(Br)c1 225617667 HMZMBWKYRQKPGZ-UHFFFAOYSA-N 384.277 3.802 0 40 GHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 223289234 FMBLUBSTGDJFPA-RTWAWAEBSA-N 397.592 3.922 0 40 GHAB COc1cc(/C=C/C(N)=O)cc(Br)c1OCc1cccc(F)c1 226335838 RFNAXQLEGMLRQD-AATRIKPKSA-N 380.213 3.674 0 40 GHAB Cn1nc(OCCCC(=O)Nc2ccncc2)c2cc(Br)ccc21 226865246 UMNHCMFYRUZAAI-UHFFFAOYSA-N 389.253 3.529 0 40 GHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(-n2ccnc2)cc1 225118502 OOMSUTWXEHQUMH-KRWDZBQOSA-N 375.472 3.835 0 40 GHAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nc(-c2ccncc2)cs1 96118603 LXLICIRXGVVRTL-UHFFFAOYSA-N 391.456 3.757 0 40 GHAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)Nc1ccc(Cl)c(Cl)c1 244933197 CGXCOTBFCIXMDT-UHFFFAOYSA-N 398.269 3.961 0 40 GHAB O=C(Cn1c(C2CCCCC2)nc2ccccc21)N1CCOC[C@@H]1CC(F)F 585082622 TUKRNIVDDFZPFQ-INIZCTEOSA-N 391.462 3.967 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2csc(C)c2)c2ccccn2)CC1 257231618 GHMDMMCOVWNJKO-ZWOKBUDYSA-N 385.533 3.865 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCO[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257266281 MCHBWXCCJZLMQB-HXUWFJFHSA-N 398.409 3.686 0 40 GHAB O=C(Nc1cn[nH]c1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 619298329 CDIALTHIHOELMU-UHFFFAOYSA-N 398.263 3.936 0 40 GHAB O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)N[C@H](Cc1ccccc1)c1ncco1 654581607 FRLATIJKSPOZSU-VAMGGRTRSA-N 392.459 3.573 0 40 GHAB CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)NCCc1ccc(-c2ccccc2)cc1 665730609 UAUWAADXXVBZAV-NRFANRHFSA-N 379.504 3.595 0 40 GHAB Cc1ccc(C)n1CCC(=O)NCc1nc(-c2c(F)cccc2Cl)no1 604419479 CNATYVXSLPMFAP-UHFFFAOYSA-N 376.819 3.654 0 40 GHAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 585182449 WLQDGPMZCRYANV-IBGZPJMESA-N 386.459 3.563 0 40 GHAB Cc1ccc(-n2cnc3c2CCN(CCCn2c(O)nc4ccccc42)C3)cc1 683098290 UIHSMLZCZTWAKI-UHFFFAOYSA-N 387.487 3.684 0 40 GHAB O=C(NCc1ccco1)C1CCN(Cc2ccc(Br)cc2)CC1 58156980 PDYAGWPVLPBOQR-UHFFFAOYSA-N 377.282 3.571 0 40 GHAB O=C(Cc1csc(-c2ccsc2)n1)NCc1nc(Cc2ccccc2)no1 58182928 XZZGWHKRIKUCPT-UHFFFAOYSA-N 396.497 3.704 0 40 GHAB O=C(Nc1cccc(Cl)c1F)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 59273832 PPYZOSYXLNMOOW-UHFFFAOYSA-N 377.778 3.735 0 40 GHAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccnc(N2CCCC2=O)c1 675008355 UEGVDNZGAGBCQG-UHFFFAOYSA-N 392.286 3.764 0 40 GHAB CC(C)c1ccc(N(C(=O)[C@H](C)Oc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 5081114 FOEMJUWCYGOTSH-PXNSSMCTSA-N 399.512 3.921 0 40 GHAB Cc1oc(-c2ccc(F)cc2)nc1C(=O)NCc1noc(-c2ccccc2)n1 12203166 OEIFZBLEOSMRCZ-UHFFFAOYSA-N 378.363 3.769 0 40 GHAB CCOc1ccc(CN2CCc3nc4cc(C(C)(C)C)nn4c(O)c3C2)cc1 12275822 JRBWAEZMNKKRBD-UHFFFAOYSA-N 380.492 3.689 0 40 GHAB Nc1nc2n(n1)[C@@H](c1cccs1)C[C@@H](c1ccc(Br)cc1)N2 13127522 LQIHLRIYPKSCNX-NWDGAFQWSA-N 376.283 3.831 0 40 GHAB Cc1cc(N2CCCCC2)nc(N2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)n1 13561577 LWCCEVPIEREIJB-DETIRCLXSA-N 396.510 3.933 0 40 GHAB CCn1ccc(CN(C)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)C)n1 13961479 IZEIQIGAJPXTLE-UHFFFAOYSA-N 380.496 3.687 0 40 GHAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NCC1CCCCC1 14122894 HZZFAYZCGHFFMC-UHFFFAOYSA-N 381.501 3.822 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 14397434 MFYCBWVWQRQGHB-QGZVFWFLSA-N 377.824 3.931 0 40 GHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(F)c1F 16253438 JCLVAUXUTBFPPG-UHFFFAOYSA-N 378.378 3.960 0 40 GHAB O=c1cc([C@H]2CCCCN2Cc2c(F)cccc2F)nc(-c2ccncc2)[nH]1 19292652 BSWQBCHLMYHUNN-LJQANCHMSA-N 382.414 3.837 0 40 GHAB O=C(CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)N1CCC(Oc2ccccc2F)CC1 19350113 NJRSTVUWSFKMGY-WDXRGRCHSA-N 387.495 3.917 0 40 GHAB C[C@@H]1Cc2cc(CCC(=O)NCc3noc(-c4ccc(Cl)cc4)n3)ccc2O1 19498137 JDLJSHUPVSKSIR-CYBMUJFWSA-N 397.862 3.962 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccncc3)cc2N1 19520758 HIFVFOFOZJIDBG-FVQBIDKESA-N 393.413 3.953 0 40 GHAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)c1cccc(N(C)C)c1)C2 19585068 RSJHJZBOXHBPEK-QHCPKHFHSA-N 394.515 3.755 0 40 GHAB Cc1nn([C@H](C)CC(=O)NC2CCN(Cc3cccc(F)c3)CC2)c(C)c1C 12201676 NLNUFJSEOUVNCF-OAHLLOKOSA-N 386.515 3.679 0 40 GHAB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)ccc2c1 3409543 IPENNORLWLVOIR-JOCHJYFZSA-N 378.403 3.955 0 40 GHAB CC(C)(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1 1772607407 IMPXBWVTYSVBEU-UHFFFAOYSA-N 394.924 3.939 0 40 GHAB Cc1ccccc1-n1nnnc1-c1ccc(-c2nnnn2-c2ccccc2C)cc1 707142 XWFREWSCNFGTFY-UHFFFAOYSA-N 394.442 3.589 0 40 GHAB COc1ccc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)cc1 783258 VFDFCQFVCKBHHN-UHFFFAOYSA-N 378.457 3.930 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1 9037650 HONLCHDVIIOGGP-UHFFFAOYSA-N 378.472 3.561 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc3n2CCN3c2ccccc2)c(C)c1 9573896 YJAGUUJTQSPSQG-UHFFFAOYSA-N 379.489 3.777 0 40 GHAB O=C(C1CCCC1)N1CCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 13696295 RPCPKTBCEODDMU-UHFFFAOYSA-N 388.464 3.706 0 40 GHAB Cc1nc2sc([C@@H](c3ccccc3)N3CCc4ccccc4C3)c(O)n2n1 23156836 OCWAEYXEHNJJFQ-GOSISDBHSA-N 376.485 3.953 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C(=O)O 47949044 ZMIHAVMRACHSIV-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC[C@H](O)CN(C)C)cc12 3251771 YJLYTSUDDPXUPO-MRXNPFEDSA-N 383.444 3.578 0 40 GHAB COc1cc(CNC(=O)c2ccc(Cl)cc2F)ccc1OC[C@H]1CCCO1 36395486 ITOMJOUSPORIGI-OAHLLOKOSA-N 393.842 3.976 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)C[C@@H](NC(N)=O)c1ccccc1F 40069177 YALLLKKBFDYSEZ-MRXNPFEDSA-N 387.455 3.870 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 40011951 UDFVRAFXPJPCBF-QGZVFWFLSA-N 387.443 3.713 0 40 GHAB O=C(NCc1cccnc1OCc1ccccc1)Nc1nnc(C2CC2)s1 40119136 BTUGARYCLNTEFB-UHFFFAOYSA-N 381.461 3.711 0 40 GHAB COc1cc2cc(C(=O)Nc3ccc(N(C)C)cc3C)[nH]c2c(OC)c1OC 40111661 HODXKHFZDSIIBN-UHFFFAOYSA-N 383.448 3.820 0 40 GHAB CS(=O)(=O)Nc1ccc(NC(=O)/C=C/c2c(F)cccc2F)cc1Cl 40106561 JTGUQDRIVMVISL-SOFGYWHQSA-N 386.807 3.642 0 40 GHAB O=C(O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 20302027 QDZGOEHTPAJINH-UHFFFAOYSA-N 390.642 3.602 0 40 GHAB CCOc1ccc([C@@H]2C=C(c3ccc(OC)cc3OC)Nc3ncnn32)cc1 101027902 TUOSESIJUCDDKE-IBGZPJMESA-N 378.432 3.750 0 40 GHAB COc1ccc(CN2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 20543136 GJRHGDHZDMEXOQ-UHFFFAOYSA-N 377.847 3.837 0 40 GHAB CN1C(=O)CC[C@@H](C(=O)Nc2ccccc2Br)[C@@H]1c1ccccc1 20734622 CTWAIDRIMYTYKZ-KDOFPFPSSA-N 387.277 3.997 0 40 GHAB CC(C)NC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)s2)c1 46389105 ANAKHOIGDXSAAD-UHFFFAOYSA-N 380.853 3.971 0 40 GHAB O=C(NCc1ccc(COc2ccccc2)cc1)C1CCN(C(=O)C2CC2)CC1 32303688 OXSVQHUFRCSKPL-UHFFFAOYSA-N 392.499 3.530 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)cc1 1343617 ZLOLPAACIIIBMN-LJQANCHMSA-N 381.432 3.533 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C[C@H]2CCCO2)cc1 1364306 BQQGNRJLJFMZHX-MRXNPFEDSA-N 399.472 3.701 0 40 GHAB CCc1ccc2[nH]c(=O)c(CNC3CCN(Cc4ccccc4)CC3)cc2c1 4132795 DOABQNQIXPOLFH-UHFFFAOYSA-N 375.516 3.845 0 40 GHAB Cc1cc(C)c(OCC(=O)N2N=C(CC(C)C)C[C@@]2(O)C(F)(F)F)c(C)c1 4163548 CJPYYIANMRFNLG-GOSISDBHSA-N 386.414 3.876 0 40 GHAB COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3c(C)cc(C)cc3C)c2c1 41105569 SGTNDRQGACTIKM-UHFFFAOYSA-N 386.517 3.931 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 6629159 KECYSRCOPMAKSC-GOSISDBHSA-N 391.531 3.587 0 40 GHAB Cc1ccc(CSc2nnc(CNC(=O)c3ccccc3Cl)n2C)cc1 6845277 QRFJNUXVEAESJS-UHFFFAOYSA-N 386.908 3.999 0 40 GHAB COc1ccccc1-n1cnnc1S[C@H](C(=O)N1CCCC1)c1ccccc1 6979869 CEJUOIWAZCLPBJ-IBGZPJMESA-N 394.500 3.732 0 40 GHAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=S)Nc1ccc(Cl)cc1)C1CC1 100426969 IKJAYLHYGBDHES-IRXDYDNUSA-N 377.941 3.949 0 40 GHAB O=c1c2c3c(sc2ncn1C[C@H](O)c1ccccc1C(F)(F)F)CCC3 60522825 PJXOPMANCTUWQA-ZDUSSCGKSA-N 380.391 3.699 0 40 GHAB COC(=O)c1ccc(NC(=O)CSc2cc(-c3ccccc3)nc(C)n2)cc1 12016647 NMGHLSGHZUQENT-UHFFFAOYSA-N 393.468 3.969 0 40 GHAB CCc1ccc([C@H]2c3c(/C=C/c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10297942 FFGDPQXSIHCSLQ-YPNIWSFNSA-N 397.442 3.596 0 40 GHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccccc1F)S(C)(=O)=O 10367331 ARHHDFNSDQUYFT-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB COc1cc(NC(=O)COC(=O)c2ccc3c(c2)CCC3)c(OC)cc1Cl 10379580 QXIPCORXYJNKOA-UHFFFAOYSA-N 389.835 3.641 0 40 GHAB O=C(Oc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cccs1 103599811 FXESKKNNMUZRBR-BHWMQLMCSA-N 399.855 3.932 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)cc1 8924869 FJQGMEXOEXCICN-BYHUBBRMSA-N 388.489 3.742 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccccc4[n+]3C)cc2)cc1 631627 QWTHJJFSBWHVDD-UHFFFAOYSA-N 378.477 3.540 0 40 GHAB Cc1ccccc1CN1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 9062885 BVYNNKDSFFTGJJ-UHFFFAOYSA-N 377.532 3.556 0 40 GHAB O=C(CCC1CCCCC1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 22956767 GSRKGTLVAOUQAI-GOSISDBHSA-N 397.519 3.791 0 40 GHAB COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2cc(C)ccc2O)C1=O 937855 IBZINWJBNCIZDF-UHFFFAOYSA-N 393.226 3.798 0 40 GHAB COc1cccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)c1 903569 RZWVYFWOWYBKCX-UHFFFAOYSA-N 378.457 3.930 0 40 GHAB CCCc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)cc1 1320397 BASNLOYCXOUPHQ-LJQANCHMSA-N 388.261 3.814 0 40 GHAB COc1ccc(O)c(C(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)c1 25047275 NPEXHKFVNJIGCB-UHFFFAOYSA-N 386.429 3.748 0 40 GHAB O=C1Nc2ccc(F)cc2[C@@]12CCN[C@H]2c1cc(Br)ccc1F 61717730 WZJGEPHGIFLBJC-DOTOQJQBSA-N 379.204 3.652 0 40 GHAB Cc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102076534 YNWUYIJQIAYDOL-ZQMBKUMFSA-N 398.462 3.805 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCC[C@H]1C1CCCCC1 47734730 FSQNOUVCMCNUME-FQEVSTJZSA-N 380.492 3.868 0 40 GHAB Cc1ccc2nc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)cc(=O)n2c1 28869318 GFWXMQBBUAMIBA-UHFFFAOYSA-N 383.864 3.734 0 40 GHAB CSc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 57416461 FHBKEWFCDLDBJF-CYBMUJFWSA-N 392.883 3.870 0 40 GHAB Oc1nncc(N2CCN(Cc3ccc(-c4ccccc4)s3)CC2)c1Cl 26708925 OMSNJMDLOLABNZ-UHFFFAOYSA-N 386.908 3.886 0 40 GHAB NC(=O)CSc1ccccc1NCC(=O)Nc1ccc(Cl)cc1Cl 12522757 SYVGSPCYNYFRQH-UHFFFAOYSA-N 384.288 3.621 0 40 GHAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccccc1C(F)(F)F 12515302 NALKWYZVUXFGLG-UHFFFAOYSA-N 377.366 3.883 0 40 GHAB COc1ccc([C@H](CNCc2c(F)cccc2Cl)N2CCOCC2)cc1 57681592 IEQJFNLIUIGWQK-FQEVSTJZSA-N 378.875 3.651 0 40 GHAB NC(=O)NC(=O)CCN(Cc1ccc(-c2ccccc2Cl)s1)C1CC1 27269543 GMEXKYDMKOBVSM-UHFFFAOYSA-N 377.897 3.618 0 40 GHAB CC1(C)CC(=O)c2sc(NC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)nc2C1 44742607 USJVWBWCYCYOSK-HNNXBMFYSA-N 387.436 3.569 0 40 GHAB CCCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc5ccccc45)C(=O)[C@H]13)O2 2145783 MIJGALVNUOMISF-MDAIXWLXSA-N 391.467 3.860 0 40 GHAB biogenic Cc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1C 2394013 ZKDCNXSPUKLXIG-UHFFFAOYSA-N 387.530 3.959 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1cc(C)nc3c1cnn3C(C)C)CC2 10962736 VROKOPLZAVHTBV-UHFFFAOYSA-N 394.475 3.536 0 40 GHAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 3338126 GLYOVNOPZVYRJY-HSZRJFAPSA-N 387.439 3.554 0 40 GHAB COc1cc(OC)c(C2=CCN(C(=O)COc3cccc(C)c3)CC2)c(OC)c1 12778434 MKTJBAPBHMDOGW-UHFFFAOYSA-N 397.471 3.716 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccsc1 12765423 ZYXJWFSMKNVLEJ-UHFFFAOYSA-N 394.518 3.574 0 40 GHAB CCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)s1 48333120 CKSBDUHQUOKQIN-LBPRGKRZSA-N 399.303 3.651 0 40 GHAB O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48355873 KVYOUBULYSSMAL-MRXNPFEDSA-N 384.505 3.676 0 40 GHAB COc1ccc([C@H](C)O)cc1NC(=O)c1ccccc1I 12854778 ONNLMPRMEGMDNE-JTQLQIEISA-N 397.212 3.605 0 40 GHAB CC(C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 3490554 SUTLWEDGUYVEJX-UHFFFAOYSA-N 387.892 3.656 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CCCNC(=O)c1cccs1 12911727 MHGNSDVWOHJIMP-UHFFFAOYSA-N 381.295 3.968 0 40 GHAB O=C(NCCCCc1ccccc1)C(=O)Nc1cccc(Br)c1 408706809 DZKOOMUNIFAEPN-UHFFFAOYSA-N 375.266 3.527 0 40 GHAB Cc1nc(C(=O)N2CC[C@@]3(Cc4ncc(-c5ccc(F)cc5)n4C3)C2)cs1 306139651 TWPKEOKAWXMKHN-HXUWFJFHSA-N 382.464 3.543 0 40 GHAB Cc1cccc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)c1 306140889 VGEVRNGKYZLVRB-NHCUHLMSSA-N 392.528 3.643 0 40 GHAB CCN1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC1 6517639 ZVFDOSKMUYWAHW-UHFFFAOYSA-N 389.499 3.999 0 40 GHAB NC(=O)c1c(NC(=O)Cc2cccc(C(F)(F)F)c2)sc2c1CCCC2 6509499 DARDZCHKOFTDHX-UHFFFAOYSA-N 382.407 3.926 0 40 GHAB Cc1ccccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(Cl)cc1 9236497 BYPSKOKADVOEOX-IAGOWNOFSA-N 399.907 3.946 0 40 GHAB Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)NC[C@@H]1CCCO1 4676443 CNUJEVCUDNTCGS-IBGZPJMESA-N 378.472 3.893 0 40 GHAB CCc1ccc(OCC(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1 4677113 OVVSBQHHNNYIMT-UHFFFAOYSA-N 399.516 3.736 0 40 GHAB CNC(=O)[C@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccc(F)c(F)c1 8848511 CXNDLANVTUVKFT-OAQYLSRUSA-N 398.409 3.761 0 40 GHAB CCC1(C(=O)NC[C@@H](C)Nc2ccccc2)CCN(C(=O)c2ccccc2)CC1 96004802 AWLLQEJEFWTHAX-LJQANCHMSA-N 393.531 3.936 0 40 GHAB O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)Nc1ccc2c(c1)CCC2 6945902 YYKAGLIVFFUQOR-OAQYLSRUSA-N 395.455 3.529 0 40 GHAB Cc1cccc2c(=O)n(CCCC(=O)Nc3nc4ccc(F)cc4s3)cnc12 8924966 RFXIKEUVWUEGFE-UHFFFAOYSA-N 396.447 3.873 0 40 GHAB CCOC(=O)[C@H]1CCCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)C1 67284758 DYOUQROSGKHHKG-HNNXBMFYSA-N 384.867 3.829 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1F 7217983 JMGQUNVXGHYFGZ-UHFFFAOYSA-N 398.887 3.827 0 40 GHAB COc1ccc(CC[C@]2(C)NC(=O)N(Cc3nc4ccccc4s3)C2=O)cc1 7411173 RWFUFDVHDLGLFC-NRFANRHFSA-N 395.484 3.748 0 40 GHAB COc1cc(NC(=O)c2sc(-c3ccncc3)nc2C)cc(OC)c1OC 71283312 YITRXRZETSMBIL-UHFFFAOYSA-N 385.445 3.792 0 40 GHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](C)c1ccc2ccccc2c1 16087238 JPZAVUJYOOCRFU-CQSZACIVSA-N 398.484 3.846 0 40 GHAB CCOC(=O)c1c(C)oc2nc(COc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12 8134940 LAGGUBAPRKAXCB-UHFFFAOYSA-N 397.214 3.887 0 40 GHAB CCn1ncc(Br)c1C(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 28242237 NQNWDMSFHMFAHW-UHFFFAOYSA-N 394.660 3.757 0 40 GHAB C[C@H](NC(=O)N1CCc2cc(F)ccc2C1)c1nc(-c2cccc(F)c2)no1 93998316 FIZZLEMXUQUCJW-LBPRGKRZSA-N 384.386 3.844 0 40 GHAB O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 97075194 PUXZJQOCHLHFIH-UHFFFAOYSA-N 382.171 3.771 0 40 GHAB COc1ccccc1OCC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 9606789 RQYADIUYOWKNKU-UHFFFAOYSA-N 383.444 3.774 0 40 GHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 24752591 DLJWKHXLLDKAQW-UHFFFAOYSA-N 378.350 3.541 0 40 GHAB O=C(CN1CCOc2ccc(Cl)cc21)Nc1ccc2[nH]c(C(F)F)nc2c1 89807421 OKVWGLRTKVIDHF-UHFFFAOYSA-N 392.793 3.991 0 40 GHAB C[C@@H](NC(=O)c1ccc2nc(C(F)(F)F)cn2c1)[C@H]1OCCc2sccc21 553857903 RMRFKUFZLOQNRT-QLJPJBMISA-N 395.406 3.847 0 40 GHAB CCn1c(COc2ccccc2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C 409326685 DFHAZGQHTSYHFU-WBVHZDCISA-N 388.537 3.664 0 40 GHAB COc1ccc(-c2c(C)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1 631359 RZJXHCTYLNASNN-UHFFFAOYSA-N 395.411 3.608 0 40 GHAB biogenic O=C(COc1cccc2ccccc12)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 32117711 JTZUDACMMOZSKJ-BEFAXECRSA-N 392.377 3.858 0 40 GHAB Cc1ccccc1COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O 56949857 OUNZOVPVVHXZRI-UHFFFAOYSA-N 390.483 3.849 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)C1CCCCC1 56945224 GQOMAKAMRKKAPJ-OAQYLSRUSA-N 381.520 3.839 0 40 GHAB CC1=NN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)[C@](O)(C(F)(F)F)C1 32099984 ASCFZBHWZLEXAH-AMIZOPFISA-N 385.169 3.620 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCCC3)nc2)cc1 72215961 DVPVYXQFKHYPHF-FQEVSTJZSA-N 385.533 3.906 0 40 GHAB Cc1cccc(Nc2noc3c2CN(C(=O)C[C@H](C)n2ccnc2)CC3)c1C 72397203 CCKXCWYSJYJIQU-HNNXBMFYSA-N 379.464 3.768 0 40 GHAB CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCc3cc(Cl)ccc32)cs1 560738769 WDIXHJQGVCFAGZ-UHFFFAOYSA-N 377.897 3.913 0 40 GHAB CCc1nnc(NC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C(C)C)s1 48512847 PCAJSYVSAUMISY-SNVBAGLBSA-N 392.510 3.652 0 40 GHAB CSc1ncc(Cl)c(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)n1 46086575 LKTGFHIPXKTORE-UHFFFAOYSA-N 399.303 3.654 0 40 GHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)n1-c1cccnc1 222822312 YOEBAWCLRCLMNT-WOJBJXKFSA-N 377.517 3.957 0 40 GHAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC 223262016 VFRPPUXRGSJGBV-JOCHJYFZSA-N 396.531 3.961 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1 224661984 QVXZYZMCOUANFH-OAHLLOKOSA-N 390.886 3.964 0 40 GHAB Cc1cc(C)cc(OCCNC(=O)COc2ccc(Br)c(C)c2)c1 224084576 WEHSDNJOSZJCKY-UHFFFAOYSA-N 392.293 3.948 0 40 GHAB O=C(O)c1ccc(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)s1 570818367 RDZAYNVGDCTTFL-CQSZACIVSA-N 387.379 3.918 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC[C@@H](C)C2)n1 225891240 FCEHOBYBVUHVPZ-MRXNPFEDSA-N 390.601 3.646 0 40 GHAB COC(=O)c1cn(S(=O)(=O)c2cc3c(cc2OC)CCCC3)c2ccccc12 222648659 NNQSEIMPDJKOTA-UHFFFAOYSA-N 399.468 3.552 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)O)cc1 222798713 CZQNMIVJSSWFJR-OALUTQOASA-N 392.484 3.563 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1 225424270 ZDIABFFXHSRAJU-WOJBJXKFSA-N 380.532 3.994 0 40 GHAB CS(=O)(=O)N1CCCc2ccccc2[C@@H]1c1ccnc(Oc2cccnc2)c1 96087153 YQTKUJIJYBEBIQ-NRFANRHFSA-N 395.484 3.566 0 40 GHAB C[C@H](NC(=O)[C@H](C)c1ccc(C[C@H]2CCCC2=O)cc1)c1nnc2ccccn12 95474321 QOIVZYRJPZBZFV-JTDSTZFVSA-N 390.487 3.622 0 40 GHAB O=C(Nc1ccccc1)c1nc2c(s1)CCN(C(=O)Cc1ccccc1)CC2 96146881 HVGSIKGASPDRAM-UHFFFAOYSA-N 391.496 3.565 0 40 GHAB COCCn1c(C(=O)NCCc2nc3ccccc3[nH]2)cc2cc(Cl)ccc21 96117887 NCOHFXGUQGYRBG-UHFFFAOYSA-N 396.878 3.790 0 40 GHAB CN(C)C(=O)c1sc2nc([C@H]3CCCCN3Cc3cccnc3)ccc2c1N 257307320 SYEJBJHRMJKOGS-QGZVFWFLSA-N 395.532 3.703 0 40 GHAB Cn1cc(C(C)(C)NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)nn1 636106099 MANVEAZPSNEQSK-UHFFFAOYSA-N 395.410 3.623 0 40 GHAB Cc1nc(CO[C@H]2CSC3(C2)CN(C(=O)c2cc4ccccc4[nH]2)C3)cs1 575405624 SQZXTDPDVFNPIQ-MRXNPFEDSA-N 399.541 3.850 0 40 GHAB COC[C@@H]1CN(C(=O)c2ccsc2)CC12CCN(CC1CCCC1)CC2 585103284 OCLZTPPCGRCBPL-IBGZPJMESA-N 376.566 3.739 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc(I)cc2)cc1 3560150 KVZFUYKPKFCHHT-UHFFFAOYSA-N 381.213 3.871 0 40 GHAB COc1cc(CC(=O)N2CCC(c3ccc(F)cc3)CC2)cc(OC)c1OC 12113964 KRRMAJLBQVKLNF-UHFFFAOYSA-N 387.451 3.800 0 40 GHAB Cc1noc(C)c1C(=O)N1CCC[C@@H](n2nnc3cc(C(F)(F)F)ccc32)C1 12184893 DJHBDANOKKDZCV-CYBMUJFWSA-N 393.369 3.532 0 40 GHAB O=C(Nc1ccccc1Br)N1CCN(Cc2cccc(F)c2)CC1 13745414 YZBOEBXOUWVZBJ-UHFFFAOYSA-N 392.272 3.938 0 40 GHAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2cccs2)[nH]1 14182914 OFUNKSHRBOFDRW-UHFFFAOYSA-N 384.939 3.999 0 40 GHAB COc1ccc(C(=O)[C@H](C)n2cc(-c3ccc(OC)cc3)[n+]3c2CCC3)cc1 16956683 FZMIAIKMKFRCTH-INIZCTEOSA-N 377.464 3.850 0 40 GHAB Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)on1 19121299 DFOXTFDMGDGYTD-GOSISDBHSA-N 382.439 3.819 0 40 GHAB O=C(c1ccc(F)cc1)N1CCCC[C@H]1CCn1nc2c(cc1=O)CCCCC2 19332021 WHQXKGIGSFTYKJ-FQEVSTJZSA-N 397.494 3.736 0 40 GHAB CC(C)c1nccn1-c1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1 19454511 DNLITHZZGAITHH-UHFFFAOYSA-N 379.416 3.742 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(c3ccccn3)C2)c(OC)c1 19552088 IBWZRUFVUKRAMN-PXNSSMCTSA-N 395.503 3.679 0 40 GHAB COc1ccc(CN2C[C@@H](c3cc(F)ccc3F)[C@@]3(CCCC(=O)N3)C2)cc1 19555689 RPISLIQAOTUPDY-SIKLNZKXSA-N 386.442 3.612 0 40 GHAB COc1cccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)c1OC 19567701 PDJYSQKJVSCJQX-UHFFFAOYSA-N 380.448 3.528 0 40 GHAB Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(OCc2ccc(F)cc2)cc1 19572301 RCNBQTXCRPMFES-UHFFFAOYSA-N 380.419 3.973 0 40 GHAB CSCC[C@@H]1CN2CCC[C@H]2CN1Cc1coc2ccc(Cl)cc2c1=O 19574031 WERUBMKYLJZLGH-DLBZAZTESA-N 392.952 3.848 0 40 GHAB CCOc1ccc(/C=C(\Sc2nnc(CC)[nH]2)C(=O)O)cc1Br 7342416 HLWUQANLPNCNCV-WQLSENKSSA-N 398.282 3.746 0 40 GHAB C[C@H]1CN(C(=O)c2ccc(-c3ccc(N)cc3Br)o2)C[C@H](C)O1 226301752 KLYCHSRVOMPQPQ-QWRGUYRKSA-N 379.254 3.541 0 40 GHAB O=C(NC[C@@H]1CCC2(CCCC2)O1)NC1CCN(Cc2ccc(F)cc2)CC1 654387926 FCTWUFNBKLKPQL-FQEVSTJZSA-N 389.515 3.581 0 40 GHAB O=C(CCC(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1)c1cccs1 12669302 KXRUDBOARWBSLO-UHFFFAOYSA-N 396.472 3.562 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037911997 BAJUWFFFYSSDJF-JOCHJYFZSA-N 382.435 3.743 0 40 GHAB CCOC(=O)Cn1c([C@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 7543907 ZIURRURWHQALIL-KRWDZBQOSA-N 391.471 3.737 0 40 GHAB CCCC(=O)N(CCCN1CCOCC1)c1nc2ccc(Cl)cc2s1 22997672 PIACVFKIGQDYCM-UHFFFAOYSA-N 381.929 3.805 0 40 GHAB Cc1nc(C)c(CN2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)s1 1775975231 CZMSWTUINOZCTP-UHFFFAOYSA-N 383.496 3.678 0 40 GHAB O=C(NC[C@H](c1cccs1)n1cccn1)c1ccc(OC(F)(F)F)cc1 575612558 BDCFJQPUPUVUAK-CQSZACIVSA-N 381.379 3.863 0 40 GHAB Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cc1 9941287 YHZHZWCIELLGAO-GOSISDBHSA-N 397.500 3.922 0 40 GHAB CCCCC[C@@H](C)NC(=O)CCS(=O)(=O)c1ccc(Br)cc1 40128588 SNBXKFBHZMANMY-CYBMUJFWSA-N 390.343 3.698 0 40 GHAB C[C@@H](CNC(=O)Nc1cccc(Oc2ncccn2)c1)N(C)c1ccccc1 40105555 NGLALJZTVXVORY-INIZCTEOSA-N 377.448 3.915 0 40 GHAB COc1ccc(CN(C)C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1 11550311 KYAJQLLPEQJBLL-UHFFFAOYSA-N 393.443 3.882 0 40 GHAB CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2nnc(C3CC3)o2)CC1 69778298 GATMJQZKMYTVDO-GOSISDBHSA-N 389.544 3.522 0 40 GHAB COc1ccccc1OCCNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 46086492 JIRJGFKQNNOSGC-HNNXBMFYSA-N 377.868 3.928 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)c2cccc(CN3CCCC3=O)c2)c1 29765275 NLWCLULOZSDLHX-UHFFFAOYSA-N 382.460 3.859 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccccn2)c(C)c1 1362717 HPOJPHTXTQSDMM-UHFFFAOYSA-N 395.532 3.953 0 40 GHAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl 3397583 SNJMDLXMNBQRKE-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB CCN(CC)C(=O)CN(C)C(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C 32716338 WTOVCBCRJWOFIF-UHFFFAOYSA-N 390.553 3.546 0 40 GHAB COc1cc(C(=O)OCc2coc(-c3cccs3)n2)cc(OC)c1OC 6610809 OLIPDBCTPGENDL-UHFFFAOYSA-N 375.402 3.786 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(C)n1-c1ccc(C)c(C)c1 6966759 JSGJWAKBJVIBBW-UHFFFAOYSA-N 382.489 3.932 0 40 GHAB COc1cccc(-n2cnnc2S[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 6980081 AZXGMMQMJIQYNC-LJQANCHMSA-N 394.500 3.732 0 40 GHAB Cc1nnc2c(NCc3ccccn3)nc3ccc(C(=O)c4ccccc4)cc3n12 7504033 CAZKPOHOYMUJEB-UHFFFAOYSA-N 394.438 3.824 0 40 GHAB Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1C 8207457 QRIOCRZLHMKGTF-UHFFFAOYSA-N 382.485 3.764 0 40 GHAB COc1cc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)ccc1F 8477593 AOQDVLZZGQVLMR-UHFFFAOYSA-N 389.901 3.699 0 40 GHAB COc1ccc2oc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)c(C)c2c1 32910485 GGZASFGLASJTMG-UHFFFAOYSA-N 380.400 3.640 0 40 GHAB O=C(CSc1nnc(NC2CCCCC2)s1)NCCc1cccs1 8852973 OVCHHDXOUAJRPY-UHFFFAOYSA-N 382.580 3.795 0 40 GHAB O=C1c2ccc(Br)cc2C(=O)N1c1cc(Br)ccc1O 827835 SXYSRDSAUATRSD-UHFFFAOYSA-N 397.022 3.718 0 40 GHAB COCCn1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N/c1cc(C)cc(C)c1 105756447 POSRJOKQEIDOIV-XTQSDGFTSA-N 397.500 3.517 0 40 GHAB CCCn1c(S[C@@H](C)c2nc(N)nc(N(C)C)n2)nc2cc(Cl)ccc21 12535239 SVOFPVSLDSONAR-JTQLQIEISA-N 391.932 3.786 0 40 GHAB CCCCCOC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 1784984 PBKZULVJEYBOEM-ZDUSSCGKSA-N 391.537 3.737 0 40 GHAB Cc1ccc(C2=Nn3c(Cc4ccc(F)cc4)nnc3S[C@@H]2CC(=O)O)cc1 8391871 IEHXCRJMJUVNBZ-MRXNPFEDSA-N 396.447 3.518 0 40 GHAB CCN(CC)c1ccc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)cc1 12607802 CMWZVHGCTXTDKX-QFIPXVFZSA-N 381.520 3.855 0 40 GHAB O=C(Nc1ccc(Cl)cc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 27662970 RCYLLMFVGPCJBA-CQSZACIVSA-N 384.910 3.623 0 40 GHAB COc1ccccc1O[C@@H](C)C(=O)NCCc1csc(-c2ccccc2)n1 27993918 WLKGDDLQWLMCSC-HNNXBMFYSA-N 382.485 3.945 0 40 GHAB CONC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 10636021 BYHGHCRNMCWYOB-UHFFFAOYSA-N 376.391 3.577 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 36396958 ODPORAAOEZVTCU-KRWDZBQOSA-N 397.500 3.695 0 40 GHAB CCn1nc(C(=O)Nc2ccc(N3CCCCC3)cc2)c2ccccc2c1=O 12734636 ZWKGNTWARDDAJZ-UHFFFAOYSA-N 376.460 3.659 0 40 GHAB CC[C@@H](C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccn(C)n3)nc21 36617068 NVGXNEGZOWHXLU-MRVPVSSYSA-N 383.399 3.844 0 40 GHAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 113970400 BOFUGXLZKWGVGZ-QFIPXVFZSA-N 381.520 3.797 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(CCOc2ccccc2)CC1 28954705 IZYAEPYCOUOILB-UHFFFAOYSA-N 393.462 3.519 0 40 GHAB C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(C(N)=O)cc1 3437838 CSMZXILUXVKUGJ-INIZCTEOSA-N 390.439 3.771 0 40 GHAB CCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(F)c(F)c3F)ccc12 3579191 GBXXTCQKIGSWMO-UHFFFAOYSA-N 377.318 3.790 0 40 GHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccc(F)cc1F 12971461 GRHSAHLVQARPGI-QWHCGFSZSA-N 378.444 3.756 0 40 GHAB COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1c(C)noc1C 12984475 JZRGECYWBAJKQY-UHFFFAOYSA-N 392.502 3.753 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 12928639 PFYGWDGBWRDSAW-IYBDPMFKSA-N 375.472 3.812 0 40 GHAB C[C@@H](NC(=O)CCn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 12946975 NTTIVANOJMKJFH-CYBMUJFWSA-N 389.381 3.626 0 40 GHAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(OC)c(F)c4)cs3)ccc21 12981569 XXECOUADUSFJSQ-UHFFFAOYSA-N 397.435 3.975 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2c(C)oc(C)c2C)c1C 8420392 BTWIWCVNORPWAG-CQSZACIVSA-N 375.421 3.755 0 40 GHAB Cc1ccccc1CN(C)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 5018908 MNBISKOXTQTLRX-UHFFFAOYSA-N 397.456 3.524 0 40 GHAB CCOC(=O)N[C@H]1CCCN(C(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)C1 65565505 CXWWDQDSDTYLHN-CVEARBPZSA-N 395.503 3.710 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)cc1OC 6407328 KZCHTLZODDJXOA-VQHVLOKHSA-N 383.444 3.824 0 40 GHAB O=C(Cc1ccccc1)Nc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1Cl 18195046 CNVKMNYNGUBJLS-CALCHBBNSA-N 394.858 3.977 0 40 GHAB COc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OCc1c(F)cccc1Cl 4573320 JSSARJZMIKOZJM-WMLDXEAASA-N 397.855 3.855 0 40 GHAB CCOC(=O)c1sc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)nc1C 14245027 MABWRIXXBAIYDV-MRXNPFEDSA-N 399.472 3.531 0 40 GHAB CCC(=O)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCS(=O)(=O)C1 5485513 GWFZBQXSUJFTJU-HNNXBMFYSA-N 381.881 3.526 0 40 GHAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(C)cc1 6662338 NKXQEJWCCIMQHI-UHFFFAOYSA-N 391.880 3.909 0 40 GHAB C[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5776008 DINRRQKGHVYCND-ZDUSSCGKSA-N 386.498 3.607 0 40 GHAB CC(C)c1cc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)nc(C(C)C)n1 90070286 ZXHWIZCNXFVLRT-CQSZACIVSA-N 376.526 3.568 0 40 GHAB COc1ccc(-c2n[nH]c(SCc3nc(-c4ccccc4OC)no3)n2)cc1 7214645 OETBQDBYSLONND-UHFFFAOYSA-N 395.444 3.831 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1Br 7405113 WVZOGYOOVVLZJK-UHFFFAOYSA-N 378.194 3.537 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c1 8941047 NHNFXEWURGFJBH-ZDUSSCGKSA-N 382.489 3.886 0 40 GHAB CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2c(F)cccc2F)NC(=O)N1 7699023 RAVSSVLQKPSYPM-MRXNPFEDSA-N 377.778 3.885 0 40 GHAB CCCCc1nc2ccccc2n1CC(=O)Nc1ccnn1Cc1ccccn1 9217139 FKDLCCSFMMICML-UHFFFAOYSA-N 388.475 3.657 0 40 GHAB COc1cccc(OC)c1CC(=O)N[C@@]1(C(F)(F)F)CCc2ccccc21 96005878 GATKOWWDKICUPO-IBGZPJMESA-N 379.378 3.767 0 40 GHAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857099 BDKBLNIAJRXULL-MRXNPFEDSA-N 392.908 3.521 0 40 GHAB CN1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)CC1=O 83877380 PKHVUNXIGWXACZ-LBPRGKRZSA-N 378.350 3.915 0 40 GHAB CCCCc1noc(CSc2nnc(-c3ccc(OC)cc3OC)o2)n1 22762316 PWBQLVMQBQFRRQ-UHFFFAOYSA-N 376.438 3.772 0 40 GHAB O=C(C[C@@H]1C(=O)Nc2c(-c3ccc(F)cc3)cnn21)Nc1ccccc1Cl 72455370 OAOJSYAYGSLUGP-MRXNPFEDSA-N 384.798 3.865 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H]2C(C)(C)O)cc1NC(=O)c1ccccc1F 95432282 RRGHSOBXKDFYPW-IBGZPJMESA-N 384.451 3.762 0 40 GHAB Cc1ccc(Cl)c2ccc(N3CCC[C@@H]3C(=O)N3CCSCC3)nc12 95460617 VPDINVORSFBLML-MRXNPFEDSA-N 375.925 3.741 0 40 GHAB COc1ccc2cc(C(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)[nH]c2c1 95948241 UEMAOARSFIHNLB-IBGZPJMESA-N 378.407 3.569 0 40 GHAB CN(CCO)c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)nc1 89346284 BNFAAYAHIOMSOD-UHFFFAOYSA-N 399.498 3.975 0 40 GHAB O=Cc1cc(Br)c(Sc2n[nH]c(COc3ccccc3F)n2)o1 408550225 BRTSADSHDJGNLJ-UHFFFAOYSA-N 398.213 3.842 0 40 GHAB Cc1nc2sc(C(=O)OCC(=O)c3cc(C)c(C)c(C)c3C)c(C)c2c(=O)[nH]1 36245463 KGMAUDGCZLXTER-UHFFFAOYSA-N 398.484 3.875 0 40 GHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)cc1OC 36395366 QDIHEPZMVZVMDM-GOSISDBHSA-N 396.531 3.795 0 40 GHAB O=S(=O)(Nc1ccccc1OCC(F)(F)F)c1ccc2c(c1)CCCO2 540041570 SUFDSLOMGIQSFU-UHFFFAOYSA-N 387.379 3.754 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H]2c2nc(C)cc(Oc3ccccc3C)n2)cn1 72383971 MKTXNXLPIKZEPD-SFHVURJKSA-N 389.459 3.961 0 40 GHAB CN(Cc1c(C(=O)O)sc2cccc(F)c12)[C@@H]1CCCC[C@H]1S(C)(=O)=O 566363137 XASHCWXMWQRJTE-UKRRQHHQSA-N 399.509 3.526 0 40 GHAB COC(=O)c1ccc2nc(NC(=S)N(C)c3ccc(OC)cc3)sc2c1 33828267 ZOJVNBZXCLVOBO-UHFFFAOYSA-N 387.486 3.925 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 224353286 GGUJPRMRJCNHGV-LJQANCHMSA-N 388.508 3.861 0 40 GHAB CN(C)[C@@H](CNC(=O)COc1ccc(Cl)c2cccnc12)c1cccs1 43284971 GRAYQDUBWBGKEN-HNNXBMFYSA-N 389.908 3.748 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)/C(=C/c1cccs1)NC(=O)c1ccccc1 224044770 YMQYICKJUMSHPS-ATVHPVEESA-N 392.436 3.886 0 40 GHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1C1CCCC1 223573647 XCWVXUGOSVXWQB-VQTJNVASSA-N 384.549 3.580 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1Cl 220300227 YJYRWKKJVSTWCF-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 222767465 GHIPWZCPKRTPIZ-HXUWFJFHSA-N 396.531 3.579 0 40 GHAB COc1cccc(N([C@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1 220157300 JMZKYWLUTHBTEG-OAHLLOKOSA-N 398.484 3.642 0 40 GHAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)C1 40034529 IXUKJZNNQGFFBF-ZIAGYGMSSA-N 397.500 3.980 0 40 GHAB Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)c1ccccc1 42646389 DVJALUWMMSIYCM-ZDUSSCGKSA-N 375.266 3.616 0 40 GHAB Cc1cc(C(=O)N2CCCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 131510389 SPMSTSXIQBBVFW-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB COc1ccc(CNC(=O)CSCc2cccc(Cl)c2)c(OC)c1OC 45202820 VDKOVLDQQPXDQM-UHFFFAOYSA-N 395.908 3.915 0 40 GHAB CC(C)c1ccc(-c2noc(CNS(=O)(=O)Cc3ccccc3F)n2)cc1 223633008 WLBLVDSGDGUSHW-UHFFFAOYSA-N 389.452 3.619 0 40 GHAB COc1ccc2c(c1)C1(CCN(C(=O)c3ccccc3F)CC1)C[C@H]2CC(=O)O 96156868 GHMSAORYQXQYAG-OAHLLOKOSA-N 397.446 3.970 0 40 GHAB C[C@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 245228267 MHJOGDJMUSFXMV-VERFIZQUSA-N 381.419 3.774 0 40 GHAB CCOc1ccc(C(C)(C)C(=O)N2CC[C@@]3(CCCOC3)C2)cc1OCC 585081417 BSYWTZMHASMEKC-QFIPXVFZSA-N 375.509 3.791 0 40 GHAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)C[C@@H]3CC=CCC3)CC2)nn1C 257233059 GNNXCBYQKMCCHR-NJDAHSKKSA-N 386.584 3.960 0 40 GHAB O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 90612526 FJVLGSFLVWRVGL-FQEVSTJZSA-N 375.424 3.936 0 40 GHAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)C2c3ccccc3Oc3ccccc32)C1 96120069 ILRFBEYVMJKGDZ-OAHLLOKOSA-N 399.512 3.738 0 40 GHAB O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@@H](Oc2ncc(F)cn2)C1 390829004 VTOIGSWBUQLWQR-OAHLLOKOSA-N 391.402 3.533 0 40 GHAB O=S(=O)(c1cccs1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390828667 BOKJVGKYCQRSJB-UHFFFAOYSA-N 393.456 3.597 0 40 GHAB CS(=O)(=O)c1nc2ccccc2n1Cc1csc(Nc2ccccc2)n1 58680782 BHKSRNWERZSSIS-UHFFFAOYSA-N 384.486 3.688 0 40 GHAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2nccc3ccccc23)c1 58053602 GSADKBXUGYQIQS-UHFFFAOYSA-N 383.473 3.566 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1cccnc1)C[C@@H]1CCCO1 55800161 PKTFBQFQDJOWAJ-SFHVURJKSA-N 378.394 3.851 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(-c3ccc(C)cc3C)s2)c1C 65122786 KSCBSETUCMYBFY-UHFFFAOYSA-N 384.461 3.806 0 40 GHAB COc1ccc(CCN[C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OC 95996200 DSPCLZPFGAYNKN-WBVHZDCISA-N 378.513 3.624 0 40 GHAB CC(C)(C)c1ccc(CCC(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1 11360291 UUPVLNVXXYJPSN-UHFFFAOYSA-N 388.533 3.605 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)on1 12118506 KBRJOVQJFCJCFC-KRWDZBQOSA-N 394.450 3.836 0 40 GHAB O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1 12623917 FYTRSTHRILKJNR-ZDUSSCGKSA-N 380.341 3.514 0 40 GHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1OCC 13675606 IAJJELWXXPOHGF-AWEZNQCLSA-N 379.478 3.532 0 40 GHAB Cc1ccc(C)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 16959199 OVABAYBHFVNESD-UHFFFAOYSA-N 386.517 3.659 0 40 GHAB Cn1cc(-c2cc(C(=O)N[C@@H](c3ccc(Cl)cc3)c3cccnc3)no2)cn1 19290757 WYGANGGDSRWNKN-IBGZPJMESA-N 393.834 3.643 0 40 GHAB O=C(c1ccccc1Cn1ccnc1)N1CCCC[C@H]1CN1CCCCCC1 19349796 LOZZOSPQRZBOQJ-NRFANRHFSA-N 380.536 3.802 0 40 GHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)CC(C)C)C1 19446200 LJNAYLFBFREDJV-JOCHJYFZSA-N 384.545 3.968 0 40 GHAB C[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C)n1ccnc1 19455390 HAQIBTIQJBPTHJ-DXKRWKNPSA-N 380.536 3.703 0 40 GHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2C[C@@H]2C)C1 19528821 DJIXBWOOIWQXMQ-YBVWCTEOSA-N 396.556 3.968 0 40 GHAB COCCOc1ccc(C(=O)N2CC[C@H](c3cc4ccccc4cn3)C2)cc1 19593647 TZXCKXRJWYJPLU-FQEVSTJZSA-N 376.456 3.890 0 40 GHAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cn2cc(Cl)ccc2n1 19716749 UZCGWZLBXGUTFR-UHFFFAOYSA-N 391.258 3.730 0 40 GHAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 6296329 DDEXKIUIJOHLDG-VCHYOVAHSA-N 378.409 3.720 0 40 GHAB CCCC(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccccn2)cc1 12222097 IPUHTEDTBYXXSX-UHFFFAOYSA-N 375.476 3.688 0 40 GHAB C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(Br)c3cccnc23)C1 594963435 VLVSIEDJWMAHQB-SOHPYSCWSA-N 381.339 3.777 0 40 GHAB COc1cccc2cc(C(=O)NCCc3ccc(-c4cnn(C)c4)cc3)oc12 1889279046 PITKFXGPWIRKNB-UHFFFAOYSA-N 375.428 3.814 0 40 GHAB O=C(c1ccncc1F)N1CCC(COc2ncccc2C(F)(F)F)CC1 1775995869 LTJKMGWREIHYPR-UHFFFAOYSA-N 383.345 3.566 0 40 GHAB CN1C(=O)COc2ccccc2CCCC[C@H]2CN(Cc3cccnc3)CC[C@H]21 2037989090 VBTKVAFMPGLMFI-FCHUYYIVSA-N 393.531 3.536 0 40 GHAB CN1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 4087053 RHSMAWOZHAKNKT-UHFFFAOYSA-N 391.496 3.754 0 40 GHAB CCOc1ccc(-c2cn3c(CC(=O)NCc4ccccn4)csc3n2)cc1 5146977 JHWONSPZWMRGEK-UHFFFAOYSA-N 392.484 3.715 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O 5305221 LIOSGBZNDWUZKO-FOIQADDNSA-N 393.462 3.892 0 40 GHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc21 8840567 YUDFTTBPLBGDIE-UHFFFAOYSA-N 384.910 3.892 0 40 GHAB COc1ccccc1OCC(=O)NC[C@H](c1ccsc1)N1CCCCCC1 8863202 KSZBIWXMMWWKML-GOSISDBHSA-N 388.533 3.869 0 40 GHAB COc1ccc2nc(N(Cc3ccco3)C(=O)c3cc(C)nn3C)sc2c1 9200929 OYCYHGWYUSBIDW-UHFFFAOYSA-N 382.445 3.787 0 40 GHAB CC(C)c1ccc([C@H]2c3c(-c4cccs4)nnc(O)c3Nc3nnnn32)cc1 10297716 NFCPLQRZIXAESY-KRWDZBQOSA-N 391.460 3.715 0 40 GHAB Cn1cccc1[C@H](CNC(=O)Cc1ccc(F)cc1)N1CCc2ccccc2C1 21151589 AETIFRSGBZHHGI-QHCPKHFHSA-N 391.490 3.623 0 40 GHAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CSC(C)(C)C)cc1OC 575414269 XLBAZNKQJGOZFR-CQSZACIVSA-N 387.567 3.779 0 40 GHAB NC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 12050373 NQLVJBCUNXDTMF-QFIPXVFZSA-N 381.435 3.858 0 40 GHAB CC(C)=CC[C@H]1[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1(C)C 20161434 IIZCTMQLLDIIEZ-RXVVDRJESA-N 384.520 3.688 0 40 GHAB CCOC(=O)c1s/c(=N\C(=O)C(c2ccccc2)c2ccccc2)n(C)c1C 100837614 YCXAULLENCYRQH-FCQUAONHSA-N 394.496 3.831 0 40 GHAB CCCCOc1ccc(CNC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1OC 40134284 DGPDKWLVVCMZTA-KRWDZBQOSA-N 382.460 3.616 0 40 GHAB Cc1ccc(C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 31747073 KGKTZVOGIDZYRI-UHFFFAOYSA-N 390.530 3.540 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)c1 2570973 OCQJHDUXKOKOQX-UHFFFAOYSA-N 398.527 3.950 0 40 GHAB Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](CC(C)C)c1nnc2ccccn12 20739264 ZXEGXWGRLXIFAJ-IBGZPJMESA-N 375.476 3.965 0 40 GHAB O=C(c1ccc(COCC(F)(F)F)cc1)N1CCn2c1nc1ccccc12 29377561 OWDBVUBJZVYCPG-UHFFFAOYSA-N 375.350 3.776 0 40 GHAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3nc4c(s3)CCCC4)ccc12 935583 QMDLZAXXGRZVII-GFCCVEGCSA-N 384.457 3.843 0 40 GHAB O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)N1CCCCC1 4967160 UURAZDVOJYCGQR-UHFFFAOYSA-N 376.482 3.702 0 40 GHAB Cc1ccc(SCCN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 2639092 UEOIQKUYVHKASU-LJQANCHMSA-N 379.485 3.732 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 10039312 HLKIRGLPMMXZJW-NSHDSACASA-N 387.288 3.607 0 40 GHAB O=C(Cc1cccs1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 32904553 NCNGFIFAVFCBSE-UHFFFAOYSA-N 383.542 3.759 0 40 GHAB CCNc1nc(SCC(=O)N(C)Cc2ccc(F)cc2)nc2ccccc12 8545829 XFHIYNMPXVYPBO-UHFFFAOYSA-N 384.480 3.951 0 40 GHAB Cc1ccccc1C(=O)OCc1cc(=O)n2nc(-c3cccs3)sc2n1 8605616 RSVATSPTWQLEJJ-UHFFFAOYSA-N 383.454 3.545 0 40 GHAB O=C1OC(c2ccc(I)cc2)=N/C1=C/c1cccc(F)c1 682718 WIDFXGSOJFYSPH-NTEUORMPSA-N 393.155 3.775 0 40 GHAB CC(C)[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1 22424076 YZEFDSJAERRPNO-QFIPXVFZSA-N 381.520 3.715 0 40 GHAB COC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 9479289 NHGURJNMAAAOJX-UHFFFAOYSA-N 389.407 3.936 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N1CCCc2ccccc21 863563 ZSHDNHMDFXWITE-UHFFFAOYSA-N 382.279 3.599 0 40 GHAB COc1ccccc1N1CCN([C@@H](CC(C)C)c2nnnn2C2CCCC2)CC1 57669628 VKPYMYSQUGUFBJ-FQEVSTJZSA-N 398.555 3.706 0 40 GHAB O=C(CN1CCN(CCc2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 22917071 YUTYWYUJNFGTQG-UHFFFAOYSA-N 392.330 3.792 0 40 GHAB O=C(NCCCOc1ccccc1F)c1ccc(NC(=O)c2ccco2)cc1 12392211 ANXVNEMDRJWXRU-UHFFFAOYSA-N 382.391 3.870 0 40 GHAB O=C(C1CC1)N1CCC(C(=O)N(Cc2cccs2)Cc2cccs2)CC1 24465452 CVTXEXPYNGCAAQ-UHFFFAOYSA-N 388.558 3.987 0 40 GHAB Cc1ccc(Nc2nc(Nc3ccc4c(c3)OCO4)nc(N3CCCC3)n2)cc1 27546309 DIEUXUUGAXVKTP-UHFFFAOYSA-N 390.447 3.996 0 40 GHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2ccnc2)cc1 12547854 DJIUODHUZQPYFO-WMZOPIPTSA-N 398.507 3.697 0 40 GHAB Cc1ccc(CN(C)c2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)o1 25719874 LVKORKVMNIZHQO-UHFFFAOYSA-N 398.532 3.550 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c(C)c1 26843653 DFXBXCUETXTZBZ-UHFFFAOYSA-N 378.925 3.776 0 40 GHAB Cc1cccc(N2CCN(CCCCNC(=O)CCc3cccc(F)c3)CC2)c1 26959619 RJRNRPYMNSTVAE-UHFFFAOYSA-N 397.538 3.785 0 40 GHAB COc1ccc([C@@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3C2)cc1OC 2210449 GFHAFFBZMORLOE-UXLLHSPISA-N 395.503 3.889 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCc1c[nH]c2ccccc12 3330847 JTDQLNFACJTUAC-UHFFFAOYSA-N 385.414 3.866 0 40 GHAB Cn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1ccc(F)cc1 3395350 MVWXMVYWQLXSHN-UHFFFAOYSA-N 382.464 3.841 0 40 GHAB CCCN1C(=O)[C@@](O)(CC(=O)c2cccc(Br)c2)c2ccccc21 2488443 OQWPNRIBMYBODP-LJQANCHMSA-N 388.261 3.666 0 40 GHAB Cn1ncc2c(SCc3nc(N)c4c5c(sc4n3)CCCCC5)ncnc21 11495087 RUIPVVDLMPOJEZ-UHFFFAOYSA-N 397.533 3.511 0 40 GHAB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)NCc1ccncc1 12760756 WNLWMWMVFKSFAY-CMDGGOBGSA-N 395.466 3.718 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccnn3C3CCCC3)C2)cc1 48355991 NNCHSTYIBQBXRD-GOSISDBHSA-N 380.492 3.798 0 40 GHAB O=C(/C=C/c1cccc2ccccc12)Nc1nc(CN2CCOCC2)cs1 48353716 HLSVYCHQZFIYCR-CMDGGOBGSA-N 379.485 3.780 0 40 GHAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc3ccccc3oc2=O)c1 48356368 ZWVCOJXGKPZQSP-CQSZACIVSA-N 378.428 3.708 0 40 GHAB Cc1cc(C(=O)Cn2nc(-c3cccs3)oc2=O)c(C)n1Cc1cccs1 8327079 CACQMLOXSYCLJT-UHFFFAOYSA-N 399.497 3.976 0 40 GHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc2c(c1)OCO2 3418499 HHOQMALEMCCINL-UHFFFAOYSA-N 394.456 3.604 0 40 GHAB CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)c1 8325379 YPANFPDXIUHUJQ-HXUWFJFHSA-N 393.439 3.773 0 40 GHAB C[C@H]1C[C@@H](Sc2nnc(-c3c[nH]c4ccccc34)n2Cc2ccco2)C(=O)O1 12940190 VDIUJCWMUHRSGF-YVEFUNNKSA-N 394.456 3.864 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)CCc2ccc3c(c2)OCO3)cc1OC 12901156 QVBVIKMXIYVTKH-QGZVFWFLSA-N 383.444 3.729 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)N(C)CCOc3ccccc3F)o2)cc1 12919672 BKXUEGPPNJDRJG-UHFFFAOYSA-N 383.423 3.654 0 40 GHAB CC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)cc1 13015924 ARPNEVIRGJYDGA-LLVKDONJSA-N 377.238 3.814 0 40 GHAB CC(=O)O[C@@H]1[C@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 3809580 KLUTZDJBVDPOFE-WOJBJXKFSA-N 388.416 3.526 0 40 GHAB biogenic CCCc1cc(=O)oc2c(C(=O)[C@@H](C)CC)c3c(c(O)c12)C[C@H](O)C(C)(C)O3 13459465 IWAUBOJXTGEZNN-FZMZJTMJSA-N 388.460 3.754 0 40 GHAB endogenous,in-man O=C(Nc1ccc2[nH]ccc2c1)[C@H](Cc1ccccc1)NC(=O)N1CCCC1 49543530 QVGKKZXNXNOECX-FQEVSTJZSA-N 376.460 3.523 0 40 GHAB biogenic C[C@H](NC(=O)CN(C)Cc1csc(Br)c1)c1ccc(F)cc1 60040772 MAKVNSXZVBTQMU-NSHDSACASA-N 385.302 3.959 0 40 GHAB Cc1c(C(=O)NC2CCC(C)CC2)nnn1-c1cccc2c1CCN(C(C)C)C2 69951140 OYKDPNTWNYXJSR-UHFFFAOYSA-N 395.551 3.651 0 40 GHAB O=C(NCCC(=O)N1CCCCCC1)c1cc2c(s1)-c1ccccc1OC2 65474431 LUTIZSMBKOQQOA-UHFFFAOYSA-N 384.501 3.830 0 40 GHAB COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccc2c(c1)CCC2 6509183 DAVLDOUXSDEULZ-UHFFFAOYSA-N 394.500 3.804 0 40 GHAB CC1=NN(c2ccccc2)C(=O)[C@H]1CCC(=O)NCCOc1ccccc1Cl 4694087 OOPVGCYERJXBMK-KRWDZBQOSA-N 399.878 3.654 0 40 GHAB Cc1cc(OS(=O)(=O)c2ccc(Cl)cc2)c(C)cc1CN1CCOCC1 20218677 XGSZNMXZQGGOTM-UHFFFAOYSA-N 395.908 3.557 0 40 GHAB O=C(CSc1ccc(Br)cc1)NCCOc1ccc(F)cc1 29297621 KMMIIVQIIMGIAC-UHFFFAOYSA-N 384.270 3.876 0 40 GHAB COc1cc(OC)c(C(=O)OCc2coc(-c3cccs3)n2)cc1OC 5834680 VAIMOLUAJFSFRJ-UHFFFAOYSA-N 375.402 3.786 0 40 GHAB Cc1ccc(-c2nnn(Cc3nc(-c4cccc(Br)c4)no3)n2)cc1 6978940 AMGGPNNNXUUZFD-UHFFFAOYSA-N 397.236 3.509 0 40 GHAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1c1cccs1 7620712 SSEJRHGWAKHJNH-QFBILLFUSA-N 385.533 3.749 0 40 GHAB O=C(OCn1nnc2ccccc2c1=O)c1sc2cc(F)ccc2c1Cl 7654923 GCQCMVMUMFLXNW-UHFFFAOYSA-N 389.795 3.613 0 40 GHAB COc1ccccc1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408704396 MVMPJLTUEQMAJH-UHFFFAOYSA-N 396.468 3.776 0 40 GHAB COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 71327812 ULDWGVLYWOXQEO-UHFFFAOYSA-N 393.487 3.825 0 40 GHAB COc1ccc(NC(=O)Cc2c(C)c3ccc(OC)c(C)c3oc2=O)cc1OC 9302878 IAUHQYBQZSIYNZ-UHFFFAOYSA-N 397.427 3.617 0 40 GHAB CCCCNC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1CC 9390075 JTNDRAOUAAYYAC-UHFFFAOYSA-N 391.518 3.746 0 40 GHAB Cc1cccc(OCCCn2nc(Br)nc2Br)c1 71978765 MVSIRVFMHCQHLO-UHFFFAOYSA-N 375.064 3.581 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)N(C)c3ccccc3)c12 97134672 SWRXJKQONPBTRP-CYBMUJFWSA-N 379.416 3.617 0 40 GHAB CCSc1nnc(NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)s1 28286910 QBGOFMNNSVDYAE-VIFPVBQESA-N 388.474 3.881 0 40 GHAB COc1cccc([C@H](CNC(=O)c2ccc(C(C)=O)cc2F)N2CCCC2)c1 95464463 FSEIWBXFMNVBPN-NRFANRHFSA-N 384.451 3.604 0 40 GHAB Cn1c(Cn2nc(-c3cccs3)c3ccccc3c2=O)nnc1-c1ccccc1 95445284 DEZOVNZUMVJHIX-UHFFFAOYSA-N 399.479 3.969 0 40 GHAB CN1CC[C@@H]2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)[C@@H]2C1 95995532 AVRMOIRYWDGVQC-FOIQADDNSA-N 396.466 3.636 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC)ccc1OC 408698695 RLMQZUMWDJZDKB-UHFFFAOYSA-N 398.868 3.507 0 40 GHAB CCCCOc1ccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1OC 62715652 DAJOWGNTTIZYQK-BPOBUFBUSA-N 397.471 3.699 0 40 GHAB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nccs1 408736268 ADMRXQWDWVDXBR-INIZCTEOSA-N 386.477 3.556 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 408678872 JAIQQRYOZDKXDH-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cccc(Cl)c1 408646420 ODBYAKUQWQRBOB-UHFFFAOYSA-N 388.851 3.803 0 40 GHAB Cc1ccsc1/C=C1/SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 409310794 BXEUYMGWMZOTQY-LICLKQGHSA-N 398.509 3.678 0 40 GHAB CCN(CC(=O)Nc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 39985161 WMPOLGWUTUELMF-UHFFFAOYSA-N 387.288 3.643 0 40 GHAB COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 35289596 ILAHWMMSTYSIBT-SFHVURJKSA-N 387.867 3.661 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)[C@H](C)c2cccs2)c1 33235446 HFHUSEWPAVGURR-CYBMUJFWSA-N 398.525 3.751 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)cc1 78564407 HTCZVBFSPUCXJV-UHFFFAOYSA-N 382.489 3.878 0 40 GHAB Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cnn(C)c4C)C3)n2)c1 72362623 JWBQEEMTRIBPHK-QGZVFWFLSA-N 391.475 3.639 0 40 GHAB CC(=O)NCc1cnc([C@H]2CCCN2C(=O)c2ccccc2)cc1C(F)(F)F 72355988 TXIINDWIFHNJPT-GOSISDBHSA-N 391.393 3.714 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 224910652 ZHWPOBMTDBITJB-UHFFFAOYSA-N 385.441 3.826 0 40 GHAB CC(C)(C)CC(C)(C)NC(=O)CCCN(c1cccc(F)c1)S(C)(=O)=O 224799118 CUXGCSCKEBBDIL-UHFFFAOYSA-N 386.533 3.703 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 225007280 NYLNGMSWPUGYLR-UHFFFAOYSA-N 397.494 3.513 0 40 GHAB COc1cc(C(=O)N[C@@H](C)COc2ccc(Cl)cc2)cc(OC)c1OC 80344841 JQLPYGWTNJMLHG-LBPRGKRZSA-N 379.840 3.563 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 223084281 DSCGPAKGOSFOBC-LJQANCHMSA-N 396.531 3.880 0 40 GHAB Cc1cc(N2Cc3ccccc3C2)nc(NC(=S)NCc2ccc(F)cc2)n1 225949144 SYWNEDZESDFVSX-UHFFFAOYSA-N 393.491 3.931 0 40 GHAB CSc1ncccc1C(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225734013 YNKMWCCCVXESII-GFCCVEGCSA-N 383.395 3.511 0 40 GHAB CC(C)Sc1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1 225707397 QSWQDWAKWYUEAE-UHFFFAOYSA-N 394.341 3.602 0 40 GHAB Cc1nc2nc(SCC(=O)N[C@@H](C)c3ccccc3Cl)nn2c(C)c1C 40119243 KJUHUURXXDWULS-LBPRGKRZSA-N 389.912 3.672 0 40 GHAB CCCCOc1ccc(C(=O)N2CC(c3nc(-c4cccnc4)no3)C2)cc1 49483416 JXCVIWUMKIHCGV-UHFFFAOYSA-N 378.432 3.550 0 40 GHAB Nc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C(=O)O)c1 225323633 YOXHJUAZJOYPLQ-UHFFFAOYSA-N 387.483 3.879 0 40 GHAB COc1cc2ccccc2cc1C(=O)NCc1cccc(CN2CCOCC2)c1 224740030 DJAHDEMXSQZTHL-UHFFFAOYSA-N 390.483 3.611 0 40 GHAB CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224961936 OCPSDFIGPKYICX-UHFFFAOYSA-N 397.880 3.659 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)cc1C 96225188 JBNLIOUYOOXPTA-QHCPKHFHSA-N 391.471 3.693 0 40 GHAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc21 96183029 MBJOVRZJEVMGMY-UHFFFAOYSA-N 388.489 3.530 0 40 GHAB Cc1cccc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)N(C)C)c2ccccc23)n1 96052725 NNAOABKPOQRWAY-SFHVURJKSA-N 391.515 3.530 0 40 GHAB O=C(Nc1nccs1)[C@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 96196255 CXYZGIMWURVQEF-FQEVSTJZSA-N 392.528 3.641 0 40 GHAB O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)c1ccc(-c2ccsc2)cc1 253472664 OEGPOXDAWZPTRR-SFHVURJKSA-N 381.453 3.650 0 40 GHAB CC(C)c1nccn1Cc1cccc(NC(=O)C(F)(F)C2(O)CCCC2)c1 585080894 KCJJIFONZQHHCI-UHFFFAOYSA-N 377.435 3.934 0 40 GHAB C[C@H]1[C@@H](NC(=O)c2cccc(C(F)F)c2F)CC(=O)N1Cc1ccccc1 529261387 MXUBUFMZSMDGCG-LRDDRELGSA-N 376.378 3.683 0 40 GHAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3ccccn3)C2)o1 257250751 JNWMXSNTDXZUDV-KRWDZBQOSA-N 377.444 3.689 0 40 GHAB NC(=S)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516995 YQDFYVJNPRGXMG-RRFJBIMHSA-N 386.325 3.835 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257199826 AAYJAOFIQOZEJG-MRXNPFEDSA-N 395.434 3.828 0 40 GHAB C[C@]1(c2ccnc3ccnn23)CCCN1C(=O)c1ccnc(Cc2ccccc2)c1 257215719 CRIGFOJAJONZNZ-XMMPIXPASA-N 397.482 3.867 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N(CCc1cccs1)Cc1ccoc1 90612364 BCESPGXXZNEGBO-UHFFFAOYSA-N 382.441 3.521 0 40 GHAB O=C(O)C1(n2cnc3ccccc32)CCN(c2nc3ccccc3s2)CC1 72428693 GZOBQOGVPBZHCD-UHFFFAOYSA-N 378.457 3.726 0 40 GHAB COc1cccc2c1CN(C(=O)NC[C@@H]1CCCN(Cc3cccs3)C1)C2 623527193 LPUURLJHIWSTBL-INIZCTEOSA-N 385.533 3.694 0 40 GHAB CSc1cccc(C(=O)N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)c1 390831731 UKKWARKRIAYSAR-SFHVURJKSA-N 393.505 3.550 0 40 GHAB O=C1CCCC[C@]2(CN(Cc3ccc(C(=O)O)cc3)C[C@H]2c2ccccc2F)N1 585261672 RBRLLEYHSPLSGB-WMZHIEFXSA-N 396.462 3.552 0 40 GHAB NC(=O)NCCCCC(=O)Nc1ccc2oc(SCc3ccccc3)nc2c1 585079782 NKCMLDWXZRWZBZ-UHFFFAOYSA-N 398.488 3.897 0 40 GHAB COc1cc(-c2nnc(NC(=O)Cc3ccc(C)cc3C)o2)cc(OC)c1OC 5267978 DCIACAFPCYSIHY-UHFFFAOYSA-N 397.431 3.560 0 40 GHAB COc1ccc(NC(=O)CCc2c(C)c3ccc(OC)c(C)c3oc2=O)cc1 5347434 NXBGOTYBAGKXIS-UHFFFAOYSA-N 381.428 3.998 0 40 GHAB Cc1nc(COc2ccc(C(=O)OCc3nc4ccccc4s3)cc2)no1 11264794 KIUJYNXTXMIRPD-UHFFFAOYSA-N 381.413 3.924 0 40 GHAB COC(=O)C1=C(C)N(c2ccccc2OC)C(=S)N[C@H]1c1ccc(F)cc1 12554393 CNIWCSZDGAEBEK-SFHVURJKSA-N 386.448 3.717 0 40 GHAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c(F)c1 12822217 ZGFGABTUCRVNIZ-UHFFFAOYSA-N 386.448 3.594 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OC)c(O)c1 13635134 YQLJFGAIGKVBNL-IBGZPJMESA-N 379.416 3.603 0 40 GHAB COc1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCCCC1 14002831 KBUTVCPWRNSNEG-UHFFFAOYSA-N 382.460 3.729 0 40 GHAB O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(Cc2cccs2)C1 15675130 GLTGRPVMOOJLMR-CJNGLKHVSA-N 393.871 3.822 0 40 GHAB biogenic,in-vitro Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)c3snnc3C)C2)n1 19117753 DTTLZUPARYGFHB-CYBMUJFWSA-N 385.518 3.693 0 40 GHAB Cc1cccnc1[C@H](Cc1ccsc1)NCc1ccc(N2CCOCC2)nc1 19237644 BXDBZUKYNHNNNJ-FQEVSTJZSA-N 394.544 3.757 0 40 GHAB CCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(=O)NC)C1 19501065 AAOQWYOSLXDWCE-HSZRJFAPSA-N 382.479 3.800 0 40 GHAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)C(C)C)cc1 19694406 HEIIPTQENZDCNP-LJQANCHMSA-N 382.508 3.928 0 40 GHAB Cc1c(C(=O)N2CCOc3ccccc32)cnn1-c1cccc(Br)c1 105948196 JFKXRZFOSWMKPU-UHFFFAOYSA-N 398.260 3.982 0 40 GHAB FC(F)(F)[C@H]1C[C@@H]([C@H]2CCCN(CCc3ccccc3)C2)Nc2ncnn21 19371260 HIZFFJCGMQDKAJ-YESZJQIVSA-N 379.430 3.520 0 40 GHAB Cc1ccc2occ(CN3[C@H]4CC[C@H]3c3cnc5cc(C)nn5c3C4)c(=O)c2c1 257218962 DFAINMXKTOYSPO-LPHOPBHVSA-N 386.455 3.714 0 40 GHAB CCN(CC)C(=O)c1cncnc1[C@H]1CC[C@H](CNC(=O)C2CCCC2)CC1 257213120 CGFSVKRLPLWCSF-QAQDUYKDSA-N 386.540 3.539 0 40 GHAB CC(=O)c1c(C)cc(NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1C 1153700955 MWGIEPRJUZDLJW-UHFFFAOYSA-N 392.455 3.992 0 40 GHAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cccnc1O[C@H]1CCOC1 244983732 IOZSVMFFVVHBDU-NSHDSACASA-N 375.837 3.765 0 40 GHAB CCN1Cc2ccccc2NC2(CCN(Cc3cccc(C)n3)CC2)CC1=O 2037985386 ICVADDVJDLIMIV-UHFFFAOYSA-N 378.520 3.589 0 40 GHAB O=C1C[C@H]2[C@H](CCN2Cc2cccnc2)N1Cc1c(Cl)cccc1Cl 1565552683 SLAHRXBOOGJJPR-ROUUACIJSA-N 376.287 3.764 0 40 GHAB O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NCCc1ccccc1 2970204 NAEOBURDCJPCFW-UHFFFAOYSA-N 395.528 3.978 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)c1C 4077888 VNCZMCIKHDAVCX-UHFFFAOYSA-N 378.523 3.870 0 40 GHAB O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccccc1F 4164544 SGSHYZXWNOLSCH-UHFFFAOYSA-N 397.410 3.800 0 40 GHAB COc1ccc(SCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 10219236 GHGQLOGGMBVMMH-UHFFFAOYSA-N 388.470 3.807 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1cc(-c2ccc(F)cc2)on1 11613475 YEDBHXSSULHOSY-UHFFFAOYSA-N 377.375 3.770 0 40 GHAB O=C(Cc1cc(O)nc(SCc2ccccc2)n1)N1CCc2ccccc21 23242156 VLPDJZKVYCZBRN-UHFFFAOYSA-N 377.469 3.606 0 40 GHAB CC(C)(C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 23211752 ACFHTCRIURBIOX-FQEVSTJZSA-N 386.511 3.685 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ncc(-c4ccccc4)o3)sc2c1 206585939 WWARIPIGGYZKDZ-UHFFFAOYSA-N 399.453 3.607 0 40 GHAB O=C([C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1)N1CCOCC1 2043275 JLYFUFOHEMNAJQ-HSZRJFAPSA-N 387.479 3.565 0 40 GHAB O=C(CCc1ccccc1)Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 36705795 FBGQHHBCQBAGKZ-UHFFFAOYSA-N 384.443 3.977 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)NCc1ccccc1CN1CCCC1=O 40069069 AKULPRCKKDJSOG-UHFFFAOYSA-N 383.467 3.680 0 40 GHAB O=C1c2ccccc2C(=O)N1CCCCOC(=O)C1(c2ccccc2)CCC1 30342109 SLPYVQQILAZOMU-UHFFFAOYSA-N 377.440 3.728 0 40 GHAB O=S(=O)(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc2nc(O)oc2c1 2503652 SJRQJUBHOJLJQK-UHFFFAOYSA-N 390.751 3.502 0 40 GHAB CCOc1ccc(CCNC(=O)CCC(=O)c2cccs2)cc1OCC 7785858 MHJCPSVURJCIJY-UHFFFAOYSA-N 375.490 3.867 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(C(F)(F)F)cc1 3336790 VFFWVMLKNKTMQN-UHFFFAOYSA-N 379.306 3.954 0 40 GHAB O=C(CSc1nnc(-c2cccs2)n1-n1cccc1)Nc1ccc(F)cc1 4586057 JBQPXOCRYYTZOQ-UHFFFAOYSA-N 399.476 3.989 0 40 GHAB CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(C(F)(F)F)cc1 4944585 JWLPJOGSLWGDAY-LBPRGKRZSA-N 397.422 3.775 0 40 GHAB C[C@H]1CN(C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C2CC2)C[C@H](C)O1 6525691 LIJYTSIXEYONSM-LPEHRKFASA-N 379.810 3.630 0 40 GHAB CCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O 6656012 KRXJONYAJBWDKO-BJMVGYQFSA-N 387.211 3.509 0 40 GHAB COC(=O)c1c(COC(=O)c2ccc(OC)c(F)c2)nc2ccccc2c1C 6607355 AIVSMANXSUCDTL-UHFFFAOYSA-N 383.375 3.835 0 40 GHAB COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cc(C)ccc2C)cc1 8417680 ZLDDDOFMJLBBNU-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB Cc1c(NC(=O)c2cc3c(s2)-c2ccccc2OC3)cccc1-n1cnnn1 32969320 WIHDHHJQBQVVAP-UHFFFAOYSA-N 389.440 3.844 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2cc(C)oc2C)c(C(=O)OCC)c1C 2759257 LCRGUULXTGHHAT-UHFFFAOYSA-N 379.434 3.872 0 40 GHAB COc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)ccc1OC(=O)C(C)C 662728 GCRKOSPKXIXKNH-MHWRWJLKSA-N 383.375 3.740 0 40 GHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccccc2OC)CC1 20493874 IREQKGUNXCJAOA-LJQANCHMSA-N 388.895 3.855 0 40 GHAB COC(=O)c1ccc(NCC(=O)Nc2ccccc2Br)c(C)c1 22957729 NGUXOWFQJJHBIW-UHFFFAOYSA-N 377.238 3.595 0 40 GHAB CCn1c(SCc2cccc(C(=O)O)c2)nnc1-c1cc(OC)cc(OC)c1 107984620 FKGLPQFTCZZRSF-UHFFFAOYSA-N 399.472 3.973 0 40 GHAB COc1nnc(-c2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)c2ccccc12 781038 DRWXWIJHNMDJSK-UHFFFAOYSA-N 385.489 3.691 0 40 GHAB COc1ccc(NC(=O)c2cccc(I)c2)c(OC)c1 726723 VSNQAJBHPOQTNL-UHFFFAOYSA-N 383.185 3.561 0 40 GHAB COc1ccc(CCNC(=O)NCCc2ccc(Br)s2)cc1 22875641 KRQZNKYLPWFQRN-UHFFFAOYSA-N 383.311 3.604 0 40 GHAB COc1cc(CCNC(=O)c2cc(Cl)c(Cl)[nH]2)ccc1OC(F)F 23626291 QTMOVYDKFJLPFD-UHFFFAOYSA-N 379.190 3.904 0 40 GHAB CC(=O)c1cc(CCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)oc1C 23777933 UHLGDOZFKFLIQC-HXUWFJFHSA-N 383.423 3.502 0 40 GHAB CCOC(=O)c1ccc(OC[C@@H](O)CN2CCc3sccc3[C@H]2CC)cc1 34889307 NLCFKBADTDIDIV-QFBILLFUSA-N 389.517 3.674 0 40 GHAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)c1ccccc1 106376899 VCHBRSZUFNDEQN-UHFFFAOYSA-N 383.473 3.861 0 40 GHAB CC(C)[C@H](NCC(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc(C2CCCCC2)cc1 27452668 CDAUFLOZOPWVGS-GGAORHGYSA-N 399.579 3.745 0 40 GHAB CCn1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 10651328 FEFLQIOHCPYVMC-ZDUSSCGKSA-N 382.851 3.701 0 40 GHAB O=C(NCc1nc2ccccc2n1C[C@@H](O)c1ccc(F)cc1)c1ccccc1 12749094 BBOKXQAGNWAQHM-OAQYLSRUSA-N 389.430 3.839 0 40 GHAB CCOc1ncccc1C(=O)N(CC(=O)Nc1ccccc1)c1ccccc1 12751498 WNXJULCPMJDVIT-UHFFFAOYSA-N 375.428 3.766 0 40 GHAB CC(C)CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 11407395 YVPGGDMUNSVHKU-UHFFFAOYSA-N 394.475 3.836 0 40 GHAB COc1cc(OC)c(NC(=O)CN2CCc3sccc3[C@H]2C)cc1Cl 12853852 WYOMBLIOPVIHLZ-LLVKDONJSA-N 380.897 3.977 0 40 GHAB O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1NCc1ccco1 3496714 ZETDLAMIZPMSMV-UHFFFAOYSA-N 376.412 3.638 0 40 GHAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)[C@@H]1CC(=O)N(C2CCCC2)C1 8131699 ARYLRWRZPOTTKS-FOIQADDNSA-N 386.492 3.884 0 40 GHAB CCC[C@H](C)NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 12973237 PBDWPVQKAGPWPD-NSHDSACASA-N 378.826 3.774 0 40 GHAB NC(=O)C1CCN(C(=S)c2ccc(OCc3ccccc3Cl)cc2)CC1 3627653 MVTKWZVKIHHLBH-UHFFFAOYSA-N 388.920 3.792 0 40 GHAB Cc1ccc(F)cc1NC(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl 13038930 MUDLDRZOPYTTKL-UHFFFAOYSA-N 398.265 3.950 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)Cc2coc3cc(C)ccc23)c1C 6082442 DVRSLDBCUJVHHZ-UHFFFAOYSA-N 397.427 3.831 0 40 GHAB COc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2N)cc1 6100678 ZGPZYBIULHYLMR-UHFFFAOYSA-N 379.445 3.615 0 40 GHAB C[C@H]1CCc2c(sc3nnn(CC(=O)c4cc5ccccc5o4)c(=O)c23)C1 5183204 KGLXZHGWRNJXLH-NSHDSACASA-N 379.441 3.607 0 40 GHAB Cc1cc2occ(CC(=O)OCC(=O)NC(=O)Nc3ccccc3F)c2cc1C 4493500 KFKWMMCINMNUFS-UHFFFAOYSA-N 398.390 3.623 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(Cc4ccccc4F)CC3)c12 14069227 MZNKMNOEVBGCMX-UHFFFAOYSA-N 394.450 3.506 0 40 GHAB Cc1ccc(Sc2ccc(NC(=O)CCCN3C(=O)CNC3=O)cc2)cc1C 24987919 YHPANQAVWLCIQD-UHFFFAOYSA-N 397.500 3.725 0 40 GHAB COc1cc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)ccc1O 4735166 ASKCUNPJDLONSX-UHFFFAOYSA-N 376.372 3.583 0 40 GHAB CCCOCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)cc1)C2 4910181 ZEUDLCIDQMAGNI-MRXNPFEDSA-N 385.460 3.828 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)s1 23379348 STGJTMXMEKOIFZ-UHFFFAOYSA-N 395.528 3.724 0 40 GHAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(N2CCCC2=O)cc1 7433798 DUZVFDULXXODLO-UHFFFAOYSA-N 397.818 3.874 0 40 GHAB COc1cc(-c2nnc(COC(=O)c3cc(C)cc(C)c3)o2)cc(OC)c1OC 7439792 WQEUNDWDOVJDAM-UHFFFAOYSA-N 398.415 3.736 0 40 GHAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(N2CCOCC2)cc1 19198140 DKZKHRKBKVDLQE-UHFFFAOYSA-N 385.514 3.889 0 40 GHAB O=C([C@H]1CCCO1)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 96012487 OIZSMYALCXNHLL-NVXWUHKLSA-N 389.249 3.899 0 40 GHAB COc1ccc(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)O)c2C)cc1Cl 96007262 LMZKFCUDIBEQDO-UHFFFAOYSA-N 397.880 3.702 0 40 GHAB COc1ccc2cc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)cnc2c1 96115704 GLHUUUYWKRXCHJ-UHFFFAOYSA-N 390.395 3.676 0 40 GHAB biogenic CCc1noc(-c2cccnc2-n2cnc(C(=O)NCCC3=CCCCC3)c2)n1 71768553 WGIBXEDUKXPHSK-UHFFFAOYSA-N 392.463 3.500 0 40 GHAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCN(C)c2ccc(Cl)cc21 78971640 NSOAORQPKSOKRY-FQEVSTJZSA-N 397.906 3.659 0 40 GHAB COc1ccccc1C(=O)C[C@@]1(O)C(=O)N(Cc2cccs2)c2ccccc21 9547835 VKPGPDBNRYBSCY-QFIPXVFZSA-N 393.464 3.764 0 40 GHAB CCSc1ccc(NC(=O)c2nc(NC(C)=O)ccc2Br)cn1 79045971 BTHOWHDGQXXWHP-UHFFFAOYSA-N 395.282 3.562 0 40 GHAB Cc1cc(C)nc(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)c1 95972415 NDKGYUITVFSVNN-UHFFFAOYSA-N 395.912 3.681 0 40 GHAB O=C(C[C@H]1OCCc2ccsc21)/N=c1\[nH]ccn1Cc1ccccc1Cl 89814049 MRIMELMPUKLURV-MRXNPFEDSA-N 387.892 3.711 0 40 GHAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 409236161 ROMOLLSIQRUQDS-IAGOWNOFSA-N 398.528 3.797 0 40 GHAB CCn1nccc1CN(C)C(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1 28237254 LLJWJKXHDJSZSU-UHFFFAOYSA-N 385.899 3.690 0 40 GHAB Cn1ncc2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(Cl)cc5)C4)n3)cc21 544975214 BOKKJWAJVGFZKA-CQSZACIVSA-N 393.834 3.797 0 40 GHAB CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(OC(C)C)cc2)CC1 408629228 QUBTWIQHEHRQBD-UHFFFAOYSA-N 395.503 3.785 0 40 GHAB CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CCOc3cccc(F)c3C2)cc1 513126825 YVKWYDLLMSHMTK-INIZCTEOSA-N 385.435 3.536 0 40 GHAB NC(=O)[C@@H](NCC1(c2ccc(Br)s2)CCC1)c1ccc(F)cc1 556792367 AMDCDRILSOXATF-HNNXBMFYSA-N 397.313 3.888 0 40 GHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 219329521 KXQYKOMPIOHTSO-AWEZNQCLSA-N 375.425 3.753 0 40 GHAB CCC(=O)N1CCC(Oc2ncnc3c2c(C)c(C)n3Cc2ccccc2)CC1 72335991 WPRXMYYQDBMISP-UHFFFAOYSA-N 392.503 3.876 0 40 GHAB O=S(=O)(Cc1ccc(F)cc1)N(CCc1ccccc1)Cc1ccccn1 62017943 KAWXAXVIXNEEKB-UHFFFAOYSA-N 384.476 3.795 0 40 GHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC)c(OC)c1OC 30852627 MFXNULUVZGQFCJ-INIZCTEOSA-N 393.867 3.840 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)CCN1C(=O)COc2ccccc21 45887690 FLZHWZOHKNSZBN-UHFFFAOYSA-N 378.881 3.566 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)CCc3ccccc3Cl)n2)cc1 220021301 LNZRDDSDPHGLSF-UHFFFAOYSA-N 385.851 3.990 0 40 GHAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 222915546 AWOAFMJTEKXPAL-IBGZPJMESA-N 388.511 3.978 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1 223084562 MQNXHTJGYWBBHT-DLBZAZTESA-N 386.467 3.537 0 40 GHAB CC[C@H](Oc1cccc2ccccc12)C(=O)NC[C@H]1COc2ccccc2O1 225267352 ROGWYWZOMQEIIY-HKUYNNGSSA-N 377.440 3.953 0 40 GHAB C[C@H](Cc1cccc(Cl)c1)NC(=O)Cn1c(S)nnc1-c1cccs1 40113083 IHBFJUSBPJKKCT-LLVKDONJSA-N 392.937 3.696 0 40 GHAB O=C(NCc1ccccc1-c1ccc(Cl)cc1)N1CC[C@H](c2nc[nH]n2)C1 573559228 PMYYXRWHKLWPCX-INIZCTEOSA-N 381.867 3.824 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 223769420 NCVNCZSXPSKXFJ-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB COc1ccc(-n2nnnc2[C@H](NCCc2c[nH]c3ccccc23)C(C)C)cc1 575443916 WHYKLFHZXSKROL-OAQYLSRUSA-N 390.491 3.682 0 40 GHAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCOCC2)c(OC)c1 95472954 ZXAJLTBZVBJKRS-QGZVFWFLSA-N 389.477 3.844 0 40 GHAB CN(C)C(=O)[C@@]1(C)CCCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 257293415 QPJQXETVVRKYLC-QHCPKHFHSA-N 380.488 3.742 0 40 GHAB Cc1cccc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3)n1 257213222 CGQZSNDCMSCFBJ-PHQLXWQESA-N 375.516 3.746 0 40 GHAB Cc1ncc([C@@H](Nc2cccc(-c3ccc(C)o3)c2)[C@@H]2COCC[C@@H]2O)cn1 257263103 LOKAAKLFTYRBHR-RZUBCFFCSA-N 379.460 3.904 0 40 GHAB O=C(NCc1cc2c(nc1O)CCCC2)[C@@H](OC1CCCC1)c1ccccc1 1152356307 ACYFVMCDQMSVDS-NRFANRHFSA-N 380.488 3.983 0 40 GHAB CC1(C)CN(CC(=O)Nc2nccs2)[C@@H]1C1CCN(Cc2ccccc2)CC1 664836567 OQNAYMHUVCBVNB-HXUWFJFHSA-N 398.576 3.704 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1F 96098427 AYQYBFGCZHUQOD-UHFFFAOYSA-N 380.375 3.883 0 40 GHAB O=C(NCc1nn(C2CCCC2)c2c1CCCC2)c1ccc2nsnc2c1 96099225 NOERSZYMCGNRCF-UHFFFAOYSA-N 381.505 3.812 0 40 GHAB COc1ccc(CN2CCOC[C@@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)cc1 585104186 KKJLFSUVAXPZEG-DVECYGJZSA-N 394.515 3.507 0 40 GHAB O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1c(-c3cccs3)ccc(=O)n1C2 5437590 PMUWLRIWONPNCQ-GOEBONIOSA-N 394.471 3.975 0 40 GHAB biogenic,in-vitro CCOc1ccc2[nH]c(C(=O)NCc3noc(-c4ccccc4)n3)c(C)c2c1 12203091 OZSOAEJOBABLEP-UHFFFAOYSA-N 376.416 3.855 0 40 GHAB CCn1cc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c2ccccc21 12643021 MDHIBRJQZLRHOX-UHFFFAOYSA-N 388.431 3.529 0 40 GHAB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 13027031 QEZHKZSPRKTUBL-FQEVSTJZSA-N 387.501 3.709 0 40 GHAB COc1cccc(C(=O)OCc2cc(=O)n3c(-c4ccccc4)csc3n2)c1 15734241 OMJWYXZIBWQHLT-UHFFFAOYSA-N 392.436 3.789 0 40 GHAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@@H](C)Cc3cccs3)CC1)CC2=O 19457154 ZXOSTSUMBLEWJU-HNNXBMFYSA-N 399.512 3.962 0 40 GHAB CCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccc(OC)cc3)cc2)(C(N)=O)C1 19501184 VVAUACHNRLFRKJ-DEOSSOPVSA-N 394.515 3.799 0 40 GHAB COc1ccccc1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19568637 UPLBZXNXHLNRKR-UHFFFAOYSA-N 395.484 3.527 0 40 GHAB COc1ccc(-c2cc(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)on2)cc1 19660534 KLYWGBVATCXIDR-UHFFFAOYSA-N 390.399 3.672 0 40 GHAB O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21 5099591 HHCZFHVWMCIUJH-UHFFFAOYSA-N 382.441 3.673 0 40 GHAB CCOc1ccc(N2C[C@@H](NC(=O)Nc3nc4ccccc4s3)CC2=O)cc1 5192931 AKIWVQLYZAMDGM-ZDUSSCGKSA-N 396.472 3.622 0 40 GHAB CCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)NC(=O)OC)cc1 5145067 UDLVGUVTTUHYEH-UHFFFAOYSA-N 376.434 3.512 0 40 GHAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccsc1 8896822 LVWBDYOSUPEQHF-FQEVSTJZSA-N 386.542 3.996 0 40 GHAB CN1CCN([C@H](CNC(=O)c2cccc3ccccc23)c2ccsc2)CC1 22765611 OFHCTBQVYFQLLA-OAQYLSRUSA-N 379.529 3.620 0 40 GHAB CCc1ccc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)cc1 23119174 VZQBVSDWKDZDCO-UHFFFAOYSA-N 381.432 3.951 0 40 GHAB Cc1cccc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3)n2)c1C 23138022 JTBVVVPXTUOPGV-UHFFFAOYSA-N 379.485 3.860 0 40 GHAB COc1ccccc1S(=O)(=O)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219351923 BOSDLDGLQONINJ-QGZVFWFLSA-N 399.484 3.842 0 40 GHAB O=S(=O)(NCc1nccnc1-c1cccs1)c1ccccc1C(F)(F)F 575621384 WJZQYCAHBQLFGL-UHFFFAOYSA-N 399.419 3.702 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1OC)n1nc(-c2ccc(C)cc2)ccc1=O 20095382 IBHPREIWGGTRDH-IBGZPJMESA-N 377.444 3.817 0 40 GHAB CNC(=O)[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2F)c2ccccc2O1 40131737 BPPJMEYDKZXFQW-OAQYLSRUSA-N 390.414 3.647 0 40 GHAB O=C(Nc1ccc(-n2cc[nH]c2=O)cc1)c1ccc(C2SCCS2)cc1 40152537 HGFBOQORHPRFDD-UHFFFAOYSA-N 383.498 3.897 0 40 GHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 30668266 FATLWVIUFMSJRL-HNNXBMFYSA-N 393.418 3.557 0 40 GHAB CCCN1CCc2c(sc3ncn4nc(-c5ccccc5OC)nc4c23)C1 20566761 ZBLAGWSROLZXLM-UHFFFAOYSA-N 379.489 3.783 0 40 GHAB COc1ccc(C(=O)O[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1F 16133357 GVXQRSHDOVNCSW-SFHVURJKSA-N 384.363 3.668 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 32103979 KQAUZHXTINUSMG-QGZVFWFLSA-N 395.890 3.529 0 40 GHAB O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)NC[C@H]1CCCO1 883887 CBSKPQBRSQBJEA-CYBMUJFWSA-N 397.422 3.550 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1 20733757 DWYFTBYGCCHRKE-TZIWHRDSSA-N 394.471 3.802 0 40 GHAB COc1ccc(CN(C)CC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 3332908 QBZMHVZONDYRCM-UHFFFAOYSA-N 382.382 3.793 0 40 GHAB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N1CCc2ccccc21 3447209 AYXMODIZODJUQX-LBPRGKRZSA-N 395.440 3.535 0 40 GHAB COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3COC(=O)N32)cc(OC)c1OC 3803604 SCLLIEKCYQJGGW-RBZFPXEDSA-N 394.427 3.660 0 40 GHAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H]1c1cccc(Br)c1 52213851 AGPIIRVQZLVKKI-HNNXBMFYSA-N 377.286 3.565 0 40 GHAB CCN(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 6205050 NRXCZOHWFDFJSQ-UHFFFAOYSA-N 387.288 3.643 0 40 GHAB COc1ccc(COc2ccc(/C=C(\Sc3nnc(C)[nH]3)C(=O)O)cc2)cc1 6588259 HWWZLPMOGIHTIF-WQRHYEAKSA-N 397.456 3.919 0 40 GHAB CCCCCNC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 6597101 XCWDNIPZAOJXMV-UHFFFAOYSA-N 388.533 3.751 0 40 GHAB COc1ccc(CN(C)C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 21635361 MNVFXQCDKDHYEL-UHFFFAOYSA-N 384.476 3.992 0 40 GHAB O=C(CSc1ncn(-c2ccccc2)n1)NCc1ccc(Cl)cc1Cl 11941115 BZXUSIOUNZYZQV-UHFFFAOYSA-N 393.299 3.983 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4C)[C@H]3c3ccco3)C2=O)cc1 101997265 GNDIHGXIRKDVMJ-PCCBWWKXSA-N 388.423 3.948 0 40 GHAB COc1cccc(NC(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)c1 8167773 ZIZAFCCZWSYXRA-UHFFFAOYSA-N 382.386 4.000 0 40 GHAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1 8412503 XNBAOJGJZLVYBV-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(N2CCCC2=O)c1 8428654 RGSBMINJFZROJW-UHFFFAOYSA-N 381.863 3.921 0 40 GHAB CCOc1ccc(CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC 33047711 GOYKGXWDJCJSRG-UHFFFAOYSA-N 377.506 3.840 0 40 GHAB Cc1cccc(NC(=O)c2ccn(COc3ccc(Br)cc3)n2)n1 2788321 TVKYCRISJXSQDT-UHFFFAOYSA-N 387.237 3.638 0 40 GHAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1cccs1 23003731 LNQASLGNCBADAR-RHSMWYFYSA-N 380.469 3.786 0 40 GHAB CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 27474888 XHMRJHVSPUNHOH-UHFFFAOYSA-N 384.860 3.762 0 40 GHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC2(CC1)OCCO2 12323028 LQNYZYCTOPZITC-UHFFFAOYSA-N 378.881 3.751 0 40 GHAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccccc1F 2909780 RLOZRSRGNDZACK-UHFFFAOYSA-N 379.416 3.903 0 40 GHAB CCOC(=O)c1ccc(-n2c(C)nc3ccc(Br)cc3c2=O)cc1 1045957 XBSOYTNZFPBSHQ-UHFFFAOYSA-N 387.233 3.633 0 40 GHAB CC(C)CC[C@@]1(C)NC(=O)N(Cc2noc(-c3ccc(Cl)cc3)n2)C1=O 47347710 DTZWUFDOYRKBNA-GOSISDBHSA-N 376.844 3.637 0 40 GHAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3nc(SCc4ccccc4)nn32)cc1 102829381 SGJVNRFFNMJCNF-KRWDZBQOSA-N 394.456 3.562 0 40 GHAB CCn1nnc2cc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)ccc21 24695864 OBUHNJHPIRBZJZ-OAHLLOKOSA-N 375.432 3.612 0 40 GHAB O=S(=O)(C[C@@H](O)CSc1cccc(C(F)(F)F)c1)c1ccccc1 1385774 IXLBZFDFYGBDSS-ZDUSSCGKSA-N 376.421 3.632 0 40 GHAB CN(C)S(=O)(=O)c1ccc2[nH]c(/C(Cl)=C/c3ccccc3F)nc2c1 25049632 AQHVCTKPNSXBES-LCYFTJDESA-N 379.844 3.689 0 40 GHAB COc1cc(OC)cc([C@@H](NC(=O)Nc2cccc(C)c2)c2nccn2C)c1 12507643 RJOYMXBSDNRMEK-LJQANCHMSA-N 380.448 3.657 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 25936083 RZOXZHHTQHGJSU-LEWJYISDSA-N 394.471 3.790 0 40 GHAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Nc2ccc3c4c(cccc24)CC3)CC1 12593182 HFOZYOOABMSVTI-OAHLLOKOSA-N 380.488 3.541 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)cc1 27225590 GVCPJOJIXFXBJR-KRWDZBQOSA-N 384.501 3.912 0 40 GHAB O=C(CCc1nc(-c2ccccc2)no1)NCc1ccccc1CN1CCCC1 8012710 NZMSYNLGLZWSFS-UHFFFAOYSA-N 390.487 3.581 0 40 GHAB CS(=O)(=O)Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cc1 58192732 MPWDWBYQELLPIL-UHFFFAOYSA-N 375.465 3.570 0 40 GHAB CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccccc2)C1 44803707 JJJMQXLUWZCPOE-MRXNPFEDSA-N 376.460 3.884 0 40 GHAB NC(=O)[C@H](OC(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccccc1 10669214 MDSYJUPLBFGUKB-QGZVFWFLSA-N 386.860 3.776 0 40 GHAB Cc1cc2oc(C(=O)Nc3ccnn3Cc3cccs3)cc(=O)c2cc1C 28404876 KLYBZQQOTAYRJD-UHFFFAOYSA-N 379.441 3.968 0 40 GHAB COC(=O)c1cc(COC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)oc1C 3372683 IPRIQIYMSUINJF-ZHACJKMWSA-N 394.427 3.934 0 40 GHAB C[C@@H](C1CC1)N(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccccc1 3362506 PVKHDPAWZXCHNA-AWEZNQCLSA-N 397.544 3.575 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccncc2)ccc1F 12736472 LTRZEFZHTLWCQJ-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2cc(C(N)=O)ccc2Cl)c(C)c1C 12788145 QUMHZZUJYSZPEQ-UHFFFAOYSA-N 380.897 3.782 0 40 GHAB COc1cc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)cc(OC)c1C 3405866 CZLRDEQDLLVYOV-UHFFFAOYSA-N 380.343 3.653 0 40 GHAB O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc2c(c1)OCO2 3442060 DPYVHYLMSHSKLG-UHFFFAOYSA-N 392.506 3.742 0 40 GHAB CCC(=O)Nc1ccc(C(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 3437675 ZXNFHPPITABTGN-UHFFFAOYSA-N 394.500 3.958 0 40 GHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1Oc1ccccc1 3591088 QTZKRMNXVKAHQL-UHFFFAOYSA-N 393.443 3.672 0 40 GHAB CCc1cc2c(CNCc3ccccc3Cn3cccn3)cc(=O)oc2cc1O 12974140 YAUVVACITLXBKT-UHFFFAOYSA-N 389.455 3.596 0 40 GHAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)[C@@H]1COc2ccccc2O1 12900767 JRHNULMFVDHOHV-CQMMPMSNSA-N 397.500 3.784 0 40 GHAB Cc1cc(C)c(OCC(=O)Nc2ccc(C(=O)O)cc2)c(Br)c1 20144431 PKFKAQQTGHYWSL-UHFFFAOYSA-N 378.222 3.782 0 40 GHAB CC(C)N(Cc1ccccc1)CN1C(=O)C(=O)c2cc(Br)ccc21 13000033 KTSOTTWVZJHKBM-UHFFFAOYSA-N 387.277 3.847 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 22528944 VJXOLTHRGNTKLE-CYBMUJFWSA-N 380.897 3.978 0 40 GHAB Cc1ccc(-n2c(=O)c3c4c(sc3n3c(S)nnc23)CCCCC4)cc1 6199522 SSPPXDYOYQBTKS-UHFFFAOYSA-N 382.514 3.961 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1C 4548541 YQJOCTSPJWWRLF-UHFFFAOYSA-N 383.231 3.936 0 40 GHAB CCCC(=O)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1 5485649 SGKOJTROOXRFQL-MRXNPFEDSA-N 395.908 3.916 0 40 GHAB O=C(NC1CCCCC1)[C@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O 4680033 BBDDVUYKTZDDEI-SFHVURJKSA-N 390.842 3.514 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N[C@@H]3CCCc4ccccc43)n2)cc1 8735593 AXOMDEAERMIWEW-LJQANCHMSA-N 377.444 3.872 0 40 GHAB COC(=O)C1CCN(Cc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)CC1 6669511 HICRSYAROKGHRJ-UHFFFAOYSA-N 393.439 3.551 0 40 GHAB biogenic Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1c[nH]nc1-c1ccccc1 8719855 AGVBZFUOTRNLKQ-UHFFFAOYSA-N 385.471 3.868 0 40 GHAB COc1cc2oc(=O)c(CC(=O)NCc3ccc(F)cc3)c(C)c2cc1Cl 4742906 KAYKSEJAJZTPFM-UHFFFAOYSA-N 389.810 3.761 0 40 GHAB CCCCc1ccc(Nc2nnc(SCC(=O)NC(=O)NCC)s2)cc1 5701729 MKPGMWVZHIARDU-UHFFFAOYSA-N 393.538 3.562 0 40 GHAB COc1cc(SC)ccc1C(=O)N1CCCN(C)c2nc3ccccc3nc21 6998625 KBGMSVNTYDKBCQ-UHFFFAOYSA-N 394.500 3.847 0 40 GHAB COc1ccc(Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)cc1 67258331 WSCVMIAINUHKKY-UHFFFAOYSA-N 398.871 3.924 0 40 GHAB CSc1ccccc1NC(=O)[C@@H](C)N1CCC(c2nnc3ccccn23)CC1 67443079 JVTGWYPBJAMIPK-OAHLLOKOSA-N 395.532 3.658 0 40 GHAB C[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)c1ccc(-n2cncn2)cc1 15584120 PONIFDOYLUZVPX-OAHLLOKOSA-N 386.455 3.922 0 40 GHAB COc1cc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc(OC)c1OC 15571550 ATFAPPLTBBPCQT-LBPRGKRZSA-N 377.824 3.556 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)cc1OC 15589107 XFTBMZILUVKOLE-CQSZACIVSA-N 388.489 3.711 0 40 GHAB CCOC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 7781232 AKHOWMJBSZYTOM-UHFFFAOYSA-N 385.464 3.982 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccnc3)n2CC(C)C)cc1 72191463 BRNWNTLNBFPFDN-UHFFFAOYSA-N 397.504 3.736 0 40 GHAB COC(=O)COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409129388 GJCMALHOYORWMJ-GZTJUZNOSA-N 389.473 3.855 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)Nc4nncs4)c(C)c3cc12 95474994 JFWWZUMOEMTKID-UHFFFAOYSA-N 383.429 3.887 0 40 GHAB CC(C)[C@H](NC(=O)N(CCc1cccc(F)c1)C1CC1)c1nnc2ccccn12 95959550 DDRZDAOFKYLYAT-FQEVSTJZSA-N 395.482 3.982 0 40 GHAB COc1ccc(C(=O)Nc2c[nH]nc2[C@@H]2CCCN(C(=O)CCC(C)C)C2)cc1 95998772 YVBUANPUQMHSHB-QGZVFWFLSA-N 398.507 3.813 0 40 GHAB CCc1ccc2oc(C(=O)Nc3ccnn3Cc3cccs3)cc(=O)c2c1 28404848 IEVIYXPKEUNHLO-UHFFFAOYSA-N 379.441 3.914 0 40 GHAB CCCOC(=O)c1cc(NC(=O)COc2ccc(C=O)cc2)ccc1Cl 408600062 SNMHMRPLLFQNKJ-UHFFFAOYSA-N 375.808 3.737 0 40 GHAB C[C@@H](C(=O)Nc1cccc(F)c1)[S@@](=O)Cc1cccc(Br)c1 32800967 ATJCNPLRRUKRHA-KPWVOAKYSA-N 384.270 3.864 0 40 GHAB C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)N(c1ccccc1)S(C)(=O)=O 408577065 IDOVAEXWZMLYTL-NSHDSACASA-N 387.288 3.787 0 40 GHAB C[C@H](NC(=O)CNC(=O)c1ccccc1F)C(c1ccccc1)c1ccccc1 31382318 TWUWCNJYHUCPPS-KRWDZBQOSA-N 390.458 3.892 0 40 GHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccco2)CC1 32893776 PWRVVDYARWSXKO-INIZCTEOSA-N 398.503 3.765 0 40 GHAB Cc1ccc(-c2nc(NCCc3c(C)noc3C)ncc2-c2cnccn2)o1 72340321 ASXOOMMOIQZVKB-UHFFFAOYSA-N 376.420 3.761 0 40 GHAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(F)cc1F 71980530 AEEDVLPAIPQWLG-DBCMNUGHSA-N 381.419 3.823 0 40 GHAB O=C(CCc1ccccc1Br)N[C@H]1CCN(Cc2ccsc2)C1 1565523050 FKNWBAZOEMSAPM-INIZCTEOSA-N 393.350 3.834 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3snc(-c4cccc(F)c4)c3N)CC2)c1 62007045 OYZNASMJQDJRRL-UHFFFAOYSA-N 396.491 3.802 0 40 GHAB O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 562610752 IRDNTSGBFUBNDY-FPQZTECRSA-N 390.308 3.724 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)o1 72362698 XJFOPFKZXAJUMM-INIZCTEOSA-N 378.432 3.894 0 40 GHAB CN(c1cccc(C(=O)Nc2ccc(F)cc2)c1)S(=O)(=O)c1ccccc1 224252814 LMQKIFYDXIXQGV-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224636254 OZYFOJYGOSJFIX-UHFFFAOYSA-N 384.295 3.981 0 40 GHAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccc(Cl)s1 225724765 ADGGBOFNNGXZEX-UHFFFAOYSA-N 390.818 3.609 0 40 GHAB O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(Br)cc1F 225719166 BIAJBFIUUGWGEC-UHFFFAOYSA-N 375.197 3.542 0 40 GHAB CC(C)[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 225205822 LUIMWTMIINDDIJ-AWEZNQCLSA-N 386.945 3.679 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)N(CC)Cc1cc(=O)[nH]c2ccccc12 41076998 CMQTYCUOFQHFMX-UHFFFAOYSA-N 393.443 3.759 0 40 GHAB O=C(Nc1nc2ccc(Cl)cc2s1)c1coc(NC(=O)C2CCC2)n1 77101400 XMTMQJPLNZUWGP-UHFFFAOYSA-N 376.825 3.929 0 40 GHAB C[C@@H](NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(C(C)(C)C)cc1 45235314 JXDXTMIDTAFTLL-LZQZEXGQSA-N 382.504 3.503 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(C)cc(C)c3)ccc21 225721834 ZRGJIITVYQNPQN-UHFFFAOYSA-N 376.503 3.891 0 40 GHAB O=C(Nc1cccc(Br)c1)c1ccnc(O[C@H]2CCSC2)c1 225720150 FHPXENNUUGIJLQ-AWEZNQCLSA-N 379.279 3.981 0 40 GHAB COc1ccc(C)cc1-n1nnnc1SCCCc1nc2ccccc2o1 48343216 QALALUJUZSKPKD-UHFFFAOYSA-N 381.461 3.845 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1nc(-c2cccc(Cl)c2)no1 223629335 OHQNBFADYMEZLV-UHFFFAOYSA-N 398.271 3.663 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)NCCCc1cccc(C)c1 223251584 DWOMYAUROQCOSX-UHFFFAOYSA-N 398.322 3.677 0 40 GHAB CC(C)[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 225195941 IVUNLYZJUOQSJB-HNNXBMFYSA-N 394.924 3.696 0 40 GHAB Cc1cccc(Cc2cnc(NC(=O)C3CCN(c4ncccn4)CC3)s2)c1 40130940 YBMHTFWNPHCHDF-UHFFFAOYSA-N 393.516 3.687 0 40 GHAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(N2CCOCC2)on1 224075346 FNGHOMMMHLCLQK-UHFFFAOYSA-N 376.627 3.724 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 224619432 MJNDIXQCJVUAML-QFIPXVFZSA-N 396.531 3.832 0 40 GHAB O=C1N(C2CCCCC2)C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN12 96269140 SFXRSTCGBGPHDZ-QGZVFWFLSA-N 397.441 3.840 0 40 GHAB biogenic,in-vitro CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 95532908 VNMRXZNXEDNUMN-UOAUAQBLSA-N 390.543 3.540 0 40 GHAB CC1(C)[C@H](NC(=O)CCO)[C@@]23CCO[C@H](c4ccc(F)cc4Cl)[C@H]2C[C@@H]1C3 257343582 ZTOPJNRLORBPKY-COGQAXKNSA-N 395.902 3.860 0 40 GHAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCc3cnc[nH]3)c1O)OC2(C)C 257273597 NHIMEMYFMZVFIF-KBRIMQKVSA-N 383.492 3.779 0 40 GHAB CN1C[C@H](C(=O)Nc2scnc2-c2ccc(F)cc2)c2ccccc2C1=O 585140001 DMMKKXQYNUXVQG-INIZCTEOSA-N 381.432 3.757 0 40 GHAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC[C@H](N(C)CC(=O)O)CC1 263455407 BXSPNDLTZOWELG-HNNXBMFYSA-N 395.931 3.868 0 40 GHAB Cc1c(S(=O)(=O)NC[C@H](O)[C@H](C)c2ccccc2)sc2cccc(F)c12 1665228906 RLYIBSLRVKVQTP-WBMJQRKESA-N 393.505 3.792 0 40 GHAB O=C([C@H]1CCCO1)N1N=C(c2ccco2)C[C@H]1c1ccc(Br)cc1 96096341 IZRUFBCZENTZGV-DOTOQJQBSA-N 389.249 3.899 0 40 GHAB O[C@H](COCc1ccccc1F)CN1CC(Cc2ccccc2C(F)(F)F)C1 1254761632 QQJDVDSUIUPFCI-SFHVURJKSA-N 397.412 3.897 0 40 GHAB CO[C@](C)(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1F 96123587 BOFZZELWRORSIM-HXUWFJFHSA-N 377.481 3.545 0 40 GHAB COC(=O)N1CCc2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2C1 96120709 PPZQENKAKSXVJS-UHFFFAOYSA-N 376.815 3.785 0 40 GHAB CCCc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 96121823 ONVUNTWPGCZAOC-UHFFFAOYSA-N 389.492 3.857 0 40 GHAB COc1cc2c(Oc3ncc(F)c(O)n3)ncnc2cc1OCc1ccccc1 85650625 MYKVUMNRFQBJPJ-UHFFFAOYSA-N 394.362 3.644 0 40 GHAB O[C@@]1(C(F)(F)F)[C@@H]2COc3ccccc3C2=NN1c1nc2ccccc2s1 5275047 SJANWJHLGDYGHJ-PIGZYNQJSA-N 391.374 3.780 0 40 GHAB COc1ccccc1-c1cc(C(=O)N2CCC(O)(c3cccc(C)c3)CC2)no1 12290249 GOOYWYJAYARCSI-UHFFFAOYSA-N 392.455 3.782 0 40 GHAB COC(=O)C1CCN(C(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)CC1 13669743 JBCZGUOIBYZCLF-LTGZKZEYSA-N 379.456 3.647 0 40 GHAB CCn1nc(C(=O)OCc2nc3ccccc3n2C(F)F)c2ccccc2c1=O 14121304 OJYZGQHFJBYUFG-UHFFFAOYSA-N 398.369 3.518 0 40 GHAB CCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3F)cc2)(C(=O)NC)C1 19498601 GQOMYAJPFQIRCJ-QHCPKHFHSA-N 382.479 3.800 0 40 GHAB CCc1cc2c(=O)n(CC(=O)N(C)[C@@H](CC)c3ccc(F)cc3)cnc2s1 19714955 XHSLWNCLDBSLKW-KRWDZBQOSA-N 387.480 3.769 0 40 GHAB Nn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1ccccc1F 8427881 FWDSKFKIWBDBLN-UHFFFAOYSA-N 392.843 3.515 0 40 GHAB CC(C)(C)NC(=O)[C@H]1CCN(c2ncc(C(F)(F)F)cc2Br)C1 1888859523 KDAQFWPDBPJLPT-VIFPVBQESA-N 394.235 3.604 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)c1cc2ccccc2oc1=O 1889073867 XZNJDTPNCHQITC-AWEZNQCLSA-N 381.409 3.578 0 40 GHAB C[C@H](Sc1ncnc2sccc12)C(=O)N1CCN(Cc2ccccc2)CC1 22024901 YISOSHDXGSELGJ-HNNXBMFYSA-N 398.557 3.516 0 40 GHAB CC(C)c1ocnc1CN1CCC[C@@H](COc2ncc(Br)cn2)C1 1776000814 LJIQYXYSWUSDHU-CYBMUJFWSA-N 395.301 3.642 0 40 GHAB CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2Br)CC1 1776011063 WCHDHRDRUOOQKE-UHFFFAOYSA-N 376.682 3.555 0 40 GHAB COc1ccc([C@@H]2CCCN2CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 20953453 SHTZDAIPGWEORA-FQEVSTJZSA-N 394.471 3.527 0 40 GHAB O=C(NCc1nnc(S)n1-c1ccc(F)cc1)c1cccc2ccccc12 4059251 WTHZSIGJJAUQRW-UHFFFAOYSA-N 378.432 3.778 0 40 GHAB COc1ccccc1OCC(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 8863201 KSZBIWXMMWWKML-SFHVURJKSA-N 388.533 3.869 0 40 GHAB CCn1nc(C(=O)N(C[C@H]2CCCO2)c2nc3ccc(C)cc3s2)cc1C 13703608 GWEDIEMRSIPGOL-OAHLLOKOSA-N 384.505 3.955 0 40 GHAB CCOc1ccc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)cc1 17307946 VMOAZLZVQOHLMQ-UHFFFAOYSA-N 397.431 3.788 0 40 GHAB C[C@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=S)n2Cc2ccccc2)C1 19938893 RZKOPTQUGLYFBG-OAHLLOKOSA-N 378.501 3.900 0 40 GHAB COc1ccccc1NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3 21352247 SFIQJVZQVMLIAM-UHFFFAOYSA-N 397.500 3.833 0 40 GHAB COc1ccc([C@@H]2CCCCN(S(=O)(=O)c3ccc(OC)c(F)c3)C2)cc1 206887873 SDYBYRSINODGGA-MRXNPFEDSA-N 393.480 3.801 0 40 GHAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585147922 HUUKPZYEYHYYFM-GOSISDBHSA-N 398.846 3.697 0 40 GHAB COc1ccc(Br)c(C(=O)NCC[C@H](CCO)c2ccsc2)c1 575607744 ONWCXBJZYMICGG-GFCCVEGCSA-N 398.322 3.805 0 40 GHAB COC(=O)c1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(C)cc2)c1C 10271991 JFOGVVVCVHOQCV-UHFFFAOYSA-N 384.823 3.576 0 40 GHAB CCC(=O)N1C(=O)[C@@]2(SCC(=O)N2c2cc(C)cc(C)c2)c2ccccc21 12418275 KOICTWQZUBYDQE-NRFANRHFSA-N 380.469 3.519 0 40 GHAB CCC[C@@](C)(NC(=O)c1cc(-c2cccs2)nc2onc(C)c12)C(=O)OC 40068510 XMNZQOAIRWWBHC-LJQANCHMSA-N 387.461 3.721 0 40 GHAB CCCc1noc([C@H](C)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)n1 40071668 WKORQMXVLIRXCO-LBPRGKRZSA-N 384.402 3.507 0 40 GHAB CCc1ccc([C@H](C)NC(=O)C2CCN(C(=O)NCc3ccco3)CC2)cc1 40130305 PTRZXLNPWKAMJG-INIZCTEOSA-N 383.492 3.641 0 40 GHAB O=C(COc1ccc(Br)cc1)NCCCn1ccc2ccccc21 40161005 GNWIEZQIESEIOW-UHFFFAOYSA-N 387.277 3.989 0 40 GHAB Cc1ccc(C(=O)CCC(=O)NCCC(=O)N2CCCc3ccccc32)s1 40122544 VWLKVVOUUNVGQZ-UHFFFAOYSA-N 384.501 3.505 0 40 GHAB O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccccc1O 50278203 FALKNSZWVXVDHS-SSZFMOIBSA-N 381.391 3.584 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)O[C@H](C)C(=O)N3CCC(C)CC3)o2)cc1 11644907 SVLXAXYNVSRLCT-QGZVFWFLSA-N 384.476 3.773 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c1 806746 NNRPOYRSIWUIDZ-KRWDZBQOSA-N 380.444 3.668 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(C)n1-c1ccccc1 907543 CWEWQTMHIREHAB-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB CC1CCN([C@H](C)CNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 60156483 BEMKJAUXQSQJLY-OAHLLOKOSA-N 379.342 3.717 0 40 GHAB COc1ccccc1-c1cnn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(F)cc1 20733739 QGMXCKYWKKROBR-INIZCTEOSA-N 380.379 3.869 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(O)=Nc3cc(-c4ccccc4)nn32)cc1 20719672 SQJUFLOVHNLILB-GOSISDBHSA-N 389.415 3.680 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1 1311568 GVWWMQCDRJKSBD-UHFFFAOYSA-N 391.496 3.873 0 40 GHAB COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NC2CCCCC2)cc1OC 1381197 TYJZYWSKAPIXHL-LJQANCHMSA-N 387.432 3.644 0 40 GHAB Cc1cc(C)nc(SCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)n1 32525842 MLHUNQSGQJXKOB-UHFFFAOYSA-N 395.532 3.647 0 40 GHAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)NC1CCCC1 3534862 LJZLMBFSHCURKE-UHFFFAOYSA-N 382.489 3.737 0 40 GHAB CCCNC(=S)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 4216152 LDXAMKFDXVKFBD-UHFFFAOYSA-N 387.549 3.956 0 40 GHAB Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccc3c(c2)CCC3)CC1 4895423 VCSJFTBDPXEJBX-UHFFFAOYSA-N 389.503 3.504 0 40 GHAB CN(C)[C@@H](CNC(=O)c1ccc(N2CCCCCC2)nc1)c1cccc(F)c1 32809287 IZEKGROMEVAQRX-FQEVSTJZSA-N 384.499 3.634 0 40 GHAB S=C(NC1CCCCC1)N[C@H]1CCCC[C@@H]1NC(=S)NC1CCCCC1 6691836 ANSKRXUDBPKGQJ-ROUUACIJSA-N 396.670 3.891 0 40 GHAB CNS(=O)(=O)c1cc(NC(=O)c2oc3ccc(Cl)cc3c2C)ccc1C 7242864 ZSVJWUPKMSFKCQ-UHFFFAOYSA-N 392.864 3.863 0 40 GHAB COc1ccc(C)cc1NC(=O)COC(=O)c1cc(F)ccc1Br 7867249 RVERSTPPWJUQRN-UHFFFAOYSA-N 396.212 3.701 0 40 GHAB Cc1cccc(OC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1C 8587450 SCQJRQLBCZYCBJ-UHFFFAOYSA-N 384.413 3.780 0 40 GHAB C[C@]1(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)Cc2ccccc2C(=O)O1 32904467 MSRYDEZVIWNAEM-XMMPIXPASA-N 386.451 3.955 0 40 GHAB Cc1ccccc1OCC(=O)Nc1nonc1-c1ccc(Br)cc1 11917093 VKIFSSQZUXZYGK-UHFFFAOYSA-N 388.221 3.825 0 40 GHAB C[C@@H](OC(=O)c1c(Br)c2ccccc2n1C)C(=O)NC1CCCC1 46410558 AOLALSSTMZSQFY-LLVKDONJSA-N 393.281 3.545 0 40 GHAB COc1cc(C(=O)O)ccc1OCc1ccc(I)cc1 20447616 TULKPPNPZRZNIV-UHFFFAOYSA-N 384.169 3.577 0 40 GHAB CCn1nc(C)c(CNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1C 12323570 KZORYKCARHAFHD-UHFFFAOYSA-N 393.369 3.519 0 40 GHAB COc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ncccc2C)c(OC)c1 100149155 NCJRGAYLHHSTFT-OALUTQOASA-N 382.504 3.527 0 40 GHAB CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccccc2Cn2ccnc2)cc1 12525085 GXZRRNUXBPSCCH-KRWDZBQOSA-N 383.517 3.923 0 40 GHAB O=C(O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc(C(F)(F)F)c1 57769660 ZWUMAIVHJQQGDW-UHFFFAOYSA-N 385.363 3.693 0 40 GHAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 10364882 GIYBPDTWQCOLMB-UHFFFAOYSA-N 386.517 3.741 0 40 GHAB CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 10475784 ABEFGDYKMFMJTA-OEAKJJBVSA-N 392.411 3.736 0 40 GHAB CCCCn1nccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 58163100 DARSAIBFNJEBHL-UHFFFAOYSA-N 398.488 3.736 0 40 GHAB C[C@]1(C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)CC1(Cl)Cl 3385646 WZYPVILHGIRCPR-OAHLLOKOSA-N 383.256 3.536 0 40 GHAB COc1ccc(OC)c(NC(=O)c2ccc(SCc3nc(C)no3)cc2)c1 12738924 LLWQTBGEUMXRQG-UHFFFAOYSA-N 385.445 3.940 0 40 GHAB Cc1cccc(OCc2nn(CN3CCN(c4ccccc4)CC3)c(=S)o2)c1 28773761 SJFAGGCDPDPOQI-UHFFFAOYSA-N 396.516 3.873 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1OC 2440325 XUMXGCITYHVRLA-UHFFFAOYSA-N 398.488 3.539 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(-c2cc3ccccc3oc2=O)c1 2435748 WLMFLSHGSDHRJK-UHFFFAOYSA-N 397.390 3.882 0 40 GHAB COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(SC)cc1 2431659 DXBCPUKQNRCMTO-SFHVURJKSA-N 381.453 3.707 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Cl)c(Cl)c1 11228992 NIMUOOAHXPGIRB-UHFFFAOYSA-N 385.272 3.686 0 40 GHAB COC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12795678 AUGBCPMWHCPXJW-GOSISDBHSA-N 381.428 3.612 0 40 GHAB Cc1ccccc1-n1c(S[C@@H]2CCOC2=O)nc2sc(C)c(C)c2c1=O 3441860 XNGMYYGQWQVFDY-CQSZACIVSA-N 386.498 3.780 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cnc(C)cn1)c1ccccc1 3467229 AFNKRXVGHHVPRQ-FQEVSTJZSA-N 391.427 3.639 0 40 GHAB Cc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O 3421535 VWEXZTSCPSDVMK-HSZRJFAPSA-N 393.487 3.698 0 40 GHAB CN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2Cl)CC1 3553080 GRUBPFRPGFFWCD-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB COc1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1OC 13000876 STAWXTMJTGLARN-UHFFFAOYSA-N 384.461 3.572 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1)C1CCCCC1 3895744 DGCVIXNPVXPQRJ-JOCHJYFZSA-N 378.516 3.653 0 40 GHAB O=C(O)c1csc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 13300090 IKWMGRDSDUBUCA-UHFFFAOYSA-N 385.772 3.919 0 40 GHAB COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(Cl)s1 18115425 OGTIMGRLCHVJSK-UHFFFAOYSA-N 384.866 3.779 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccccc2N2CCOCC2)c(C)c(C)c1C 64197640 USQMKGZYEINEFN-UHFFFAOYSA-N 381.472 3.797 0 40 GHAB C[C@H](Cc1noc(-c2ccc3nsnc3c2)n1)N(C)C(=O)OC(C)(C)C 96003514 KSKSYDZLGKKFGD-SNVBAGLBSA-N 375.454 3.539 0 40 GHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cccc(C)c1 20151551 OYIGFINZRATVPB-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB COc1ccc(Cc2noc(Cc3nnc(-c4cccc(Cl)c4)o3)n2)cc1 65185569 TZYWAAGJHZARPH-UHFFFAOYSA-N 382.807 3.963 0 40 GHAB CN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1 4312961 OILQRYVUKMDUKO-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB Cc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CCCN(C)C)c(=N)c32)cc1 5349089 MWNKLCJRRUZKCY-HXUWFJFHSA-N 390.487 3.614 0 40 GHAB O=S(=O)(NCc1ccccc1CN1CCCC1)c1ccccc1C(F)(F)F 14245295 GOFCBBQYPGZVCC-UHFFFAOYSA-N 398.450 3.780 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 14242526 OIDUIGSDAOKAKN-UHFFFAOYSA-N 398.532 3.701 0 40 GHAB COc1cc(NC(=O)NCc2ccc(-n3ccnc3)cc2)c(OC)cc1Cl 66962944 PWVQRKGLTFWMRP-UHFFFAOYSA-N 386.839 3.865 0 40 GHAB COc1cc(OC)c(N[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1Cl 7092608 IHUKLTRSTWPLJO-NSHDSACASA-N 392.839 3.568 0 40 GHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 7593451 VDHSVNGFLSTPCO-JTQLQIEISA-N 384.766 3.522 0 40 GHAB CC(C)N(C(=O)CN(C)CC(=O)Nc1ccccc1Cl)C1CCCCC1 7728017 MIBZSKHUMUXFRU-UHFFFAOYSA-N 379.932 3.780 0 40 GHAB Cc1sc(NC(=O)CNCC(F)(F)F)nc1-c1ccc(OC(F)F)cc1 68417002 SJBBQIUARWYIRR-UHFFFAOYSA-N 395.353 3.810 0 40 GHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc(OC)c1O 9154755 JZAAKNBQJDXSCQ-FQEVSTJZSA-N 380.400 3.769 0 40 GHAB COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 16369217 MIPFCQWELFNNLI-AWEZNQCLSA-N 394.500 3.582 0 40 GHAB Cc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1Cl)S2 9236464 GTDDFSNPUCWCCX-HOTGVXAUSA-N 385.880 3.638 0 40 GHAB CC1=C(NC(=O)c2noc3c2CCCCC3)[C@H](C)NN1Cc1ccccc1C 20418471 MULOFLHNPDCUBP-HNNXBMFYSA-N 380.492 3.622 0 40 GHAB NS(=O)(=O)c1ccc(CCNCc2ccc(-c3cccc(Cl)c3)o2)cc1 19872503 XMININVRZMKODT-UHFFFAOYSA-N 390.892 3.580 0 40 GHAB CCOc1ccccc1NC(=O)c1sc2nc(CSC)[nH]c(=O)c2c1C 9833336 PQZLSHCIHWDYAM-UHFFFAOYSA-N 389.502 3.807 0 40 GHAB O=C(Nc1ccc(Cc2ccncc2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 96590505 IIPFDURHFNRRRX-OAQYLSRUSA-N 385.467 3.660 0 40 GHAB Cc1nc(CNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)ccc1[C@H](C)O 95455224 QYJOPLDPPWWBSE-LBPRGKRZSA-N 389.381 3.926 0 40 GHAB CCN(CC)c1c(S(=O)(=O)c2ccccc2)cnc2cc3c(cc12)OCCO3 21522540 KZPDMAZMPJQZPR-UHFFFAOYSA-N 398.484 3.685 0 40 GHAB Cc1cncc(C(=O)N2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 306123135 AFNFSNHMJVELHS-IBGZPJMESA-N 398.470 3.515 0 40 GHAB COc1ccccc1-c1cnc2n1C[C@@]1(CCN(Cc3cnn(C(C)C)c3)C1)C2 306138356 RVUPTIZMUJYJRE-QHCPKHFHSA-N 391.519 3.785 0 40 GHAB CCn1c(CN2CCC[C@H]2Cc2ccccc2OC)nc2cc(C(=O)O)ccc21 516776680 CPTCHGITZGVREC-SFHVURJKSA-N 393.487 3.970 0 40 GHAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 408621527 MPBONLFYGSRLQF-UHFFFAOYSA-N 382.464 3.883 0 40 GHAB Nc1nn(CC(=O)c2cc(Cl)ccc2Cl)c(=S)n1Nc1ccco1 36625668 CDZRUTUTNRRNQJ-UHFFFAOYSA-N 384.248 3.654 0 40 GHAB CCc1cc2c(N3CCN(C(=O)c4ccc(C)cc4)CC3)nc(C)nc2s1 31850244 MCQJLVQSITVYPP-UHFFFAOYSA-N 380.517 3.833 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1OC 30754808 DAHOMEWMXMVCJS-HNNXBMFYSA-N 397.500 3.687 0 40 GHAB Cc1nc(CC(=O)N2CCC[C@@H](c3nccnc3Oc3ccccc3)C2)cs1 72362833 GHDGADORKJNFGP-MRXNPFEDSA-N 394.500 3.983 0 40 GHAB CC(C)c1ccc2[nH]c3nc(SCC(=O)NCc4ccco4)nnc3c2c1 35312775 SZYHGGJYINTLFD-UHFFFAOYSA-N 381.461 3.631 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 72354875 UAOUEDCUVJTADM-HNNXBMFYSA-N 383.452 3.607 0 40 GHAB Cc1cc(-c2ccc(=O)n(C3CCN(C(=O)c4cccs4)CC3)n2)c(C)o1 72342425 UYMKBQTXOAPOAI-UHFFFAOYSA-N 383.473 3.659 0 40 GHAB CC[C@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(C)c(C)c1 224570726 SUEFYOKRXAISJJ-VQTJNVASSA-N 388.533 3.503 0 40 GHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 47156108 CWPAXGMJSVVXJC-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB CCn1c(=O)sc2cc(NC(=O)CSCc3ccc(OC)cc3)ccc21 225077042 OIXIQLPBJLNDAK-UHFFFAOYSA-N 388.514 3.963 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220521594 WTAZLPIIRCQDJG-PXNSSMCTSA-N 388.533 3.725 0 40 GHAB Cc1ccc(N(CC(=O)Nc2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 223620255 PCVZDHUUMAECBV-UHFFFAOYSA-N 394.496 3.652 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1ccccc1F)S(C)(=O)=O 220585631 SROUEJSKDLCQFS-HNNXBMFYSA-N 384.860 3.662 0 40 GHAB Cc1csc(N(CC(F)(F)F)C(=O)c2ccn(-c3ccccc3F)n2)n1 98105723 GQHRZFCBHJAZJO-UHFFFAOYSA-N 384.358 3.985 0 40 GHAB NCc1cc(NC(=O)N2CCC3(C2)Oc2ccccc2O3)cc(C(F)(F)F)c1 584161045 QVIHNESJBYDJQL-UHFFFAOYSA-N 393.365 3.569 0 40 GHAB Cc1ccc2c(n1)N(C)[C@H](c1ccc(NC(=O)[C@@H]3CC=CCC3)cc1)NC2=O 248329192 CWCAFZPUQVBSMP-VQIMIIECSA-N 376.460 3.563 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(Cc2ccc(F)cc2)C2CCCC2)C1 257209780 BRWAEZHNZUEZQT-RTBURBONSA-N 378.488 3.551 0 40 GHAB Cc1cc(NC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)c(N(C)C)nn1 626606300 ADUGKLGRLUSRKR-AWEZNQCLSA-N 375.423 3.541 0 40 GHAB COC1CCN(c2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2)CC1 96122392 PDALPOBSSMIHKW-UHFFFAOYSA-N 377.488 3.975 0 40 GHAB Cc1cc(C)c2nc(O)c(CNC[C@@H](O)COc3ccc(C)c(C)c3)cc2c1 585283795 HREGKUAZIQNRKM-HXUWFJFHSA-N 380.488 3.704 0 40 GHAB Cn1ccnc1CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 58203021 BFWRESFSMGVWEY-UHFFFAOYSA-N 386.864 3.717 0 40 GHAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCCN1C(=O)C(C)C 12085344 ZAHSKYTWRQQCGH-CQSZACIVSA-N 380.410 3.976 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)cc1 12471682 DPGMOWURDZXAGG-OAHLLOKOSA-N 383.448 3.586 0 40 GHAB COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccc3ccccc3c2)CC1 13689154 XAEANLUDMOFSLF-SFHVURJKSA-N 390.483 3.965 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc3c(c2)OCO3)cc1Cl 15029541 AHLKFHPBFMSCNP-GFCCVEGCSA-N 376.840 3.536 0 40 GHAB COc1ccc(-n2[nH]c3[nH]c(C)c(Cc4ccc(Cl)cc4)c(=O)c3c2=O)cc1 17080926 SWMUJNCUBFAONZ-UHFFFAOYSA-N 395.846 3.568 0 40 GHAB O=C(COc1cccc(F)c1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 19294228 WIXWXKLJYILAFW-CYBMUJFWSA-N 387.436 3.722 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1cc2cc(Cl)ccc2o1 19458500 IQFORJMMGXWITE-UKRRQHHQSA-N 397.862 3.707 0 40 GHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)CCC4CCCC4)nn3cn2)cc1 19575524 MZENTZUFYKMJAV-OAHLLOKOSA-N 393.491 3.948 0 40 GHAB CC(C)(C)n1nc2c(c1NC(=O)C13CC4CC(CC(C4)C1)C3)C[S@@](=O)C2 4105952 AITHZLRSRYLWOR-QARJCBMLSA-N 375.538 3.555 0 40 GHAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)c3scnc3C)cc2)on1 12158919 RTAGZYGSRZVLDN-UHFFFAOYSA-N 391.456 3.802 0 40 GHAB Cc1nn(CC(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)c(C)c1C 12336901 XZTODVPGGBQYEZ-UHFFFAOYSA-N 396.516 3.540 0 40 GHAB O=C(c1cc2c(Cl)c(Cl)ccc2[nH]1)N1CCC[C@@H](Cn2ccnn2)C1 676944007 UROGSGNLQYFLJY-LLVKDONJSA-N 378.263 3.619 0 40 GHAB O=C(Cc1ccccn1)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 257291811 QIRYLNWNQRKBGL-IYARVYRRSA-N 387.487 3.566 0 40 GHAB Cc1cc(CNC[C@H]2COc3ccccc3O2)c(C)n1-c1ccnn1C(C)C 24773576 FUNRWGKTSMWJQF-IBGZPJMESA-N 380.492 3.801 0 40 GHAB Cc1ccc2sc(N(CCN(C)C)C(=O)COc3ccccc3)nc2c1C 4359387 MCQJMDRGDLTZMS-UHFFFAOYSA-N 383.517 3.887 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC(c3cccs3)CC1)C(=O)C2 101323919 BDECHJBZAMYNKB-HNAYVOBHSA-N 381.563 3.653 0 40 GHAB O=C1OC2(CCN(C(=O)c3ccccc3Br)CC2)c2ccccc21 211109650 HUUNJTWCYKRMFF-UHFFFAOYSA-N 386.245 3.751 0 40 GHAB CCN(CC)[C@H](CNCc1cc(-c2ccccc2)cn2nnnc12)c1ccco1 19526305 OSPHPCQGKPGJGJ-HXUWFJFHSA-N 390.491 3.557 0 40 GHAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC(CN2CCCCCC2)CC1 40121845 MGYXQMBMOKYVKV-RBUKOAKNSA-N 389.588 3.769 0 40 GHAB CN(Cc1ccccc1)C(=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105936 PASFHHJUSWOUJO-UHFFFAOYSA-N 386.300 3.567 0 40 GHAB CC(C)N1CNC2=N[C@@H](c3ccc(Cl)cc3)n3c(nc4ccccc43)N2C1 20101308 RDLRIAVIFPSTCJ-GOSISDBHSA-N 380.883 3.641 0 40 GHAB COc1ccc([C@H]2Nc3ccccc3-c3nc(=O)c(-c4ccccc4)nn32)cc1 101087076 BIGSEJOSONETMX-NRFANRHFSA-N 382.423 3.953 0 40 GHAB O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1ccccc1F 51315174 ZGCFDHUDHDDGHC-UHFFFAOYSA-N 377.169 3.995 0 40 GHAB Cc1ccc(-c2nc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)cs2)cc1 11529914 PGLMAYHIEKCUJX-UHFFFAOYSA-N 395.484 3.746 0 40 GHAB Cc1ccc(C(=O)NCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1C 8279681 YHPPSQMDMKNWFC-OAHLLOKOSA-N 381.501 3.863 0 40 GHAB CC(C)OC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@H](C)CC4 929551 QAXGKGMSBFSLFD-SNVBAGLBSA-N 376.507 3.508 0 40 GHAB CCOC(=O)CSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4 1376580 ZLUWWMMIOBFFKL-UHFFFAOYSA-N 388.518 3.750 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)cc2)c1 3015273 GOCILIMSTONPGC-UHFFFAOYSA-N 380.897 3.931 0 40 GHAB O=C(CCc1cccc(F)c1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 29806669 HWHWOYSRJQUGOO-FQEVSTJZSA-N 390.886 3.601 0 40 GHAB Cc1nc(-c2cc(C)n(CC(=O)Nc3ccc(-n4cccn4)nc3)c2C)cs1 32753006 XHAHETVYGKPWMA-UHFFFAOYSA-N 392.488 3.756 0 40 GHAB Cc1cnc(C(=O)O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 3467261 VOKUWZMSMOVHLL-OAHLLOKOSA-N 377.400 3.761 0 40 GHAB O=C1COc2ccc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cc2N1 32754326 QUAPOVBSDZXXEC-UHFFFAOYSA-N 390.370 3.640 0 40 GHAB Cc1ccc(-c2nc(CC(=O)N3CC(=O)Nc4ccccc43)cs2)c(C)c1 32858022 WQYWIPFKWBDKGY-UHFFFAOYSA-N 377.469 3.955 0 40 GHAB CCOCCCNC(=O)CSc1ncccc1-c1nc2cc(C)c(C)cc2[nH]1 4898792 JYPJHXPKCSDLPE-UHFFFAOYSA-N 398.532 3.877 0 40 GHAB Cc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 6861120 YDZWELQSVSQLQG-LLVKDONJSA-N 387.288 3.607 0 40 GHAB CCc1nc(C)c2c(C)c(C(=O)N(C)C[C@H]3COc4ccccc4O3)sc2n1 32903403 SKVBHOAMNXIPMN-AWEZNQCLSA-N 397.500 3.783 0 40 GHAB COc1cc(C(=O)NCc2ccccc2CN2CCCCC2)cc(OC)c1OC 10281582 GLFCVKOFYGIBNQ-UHFFFAOYSA-N 398.503 3.628 0 40 GHAB COc1cc(OC)c(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1OC 10544578 BQMSTKTXNWKDCI-AWEZNQCLSA-N 395.459 3.609 0 40 GHAB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)c(OC)c1OC 102680655 YQRCLJRTYYEYNE-MRXNPFEDSA-N 384.436 3.612 0 40 GHAB O=C(COc1ccc(F)cc1Cl)N1CCN(c2ccccc2Cl)CC1 8070166 IJRRLCZKDYRMGC-UHFFFAOYSA-N 383.250 3.860 0 40 GHAB O=C(CCc1ccc2c(c1)OCCO2)NCCOc1ccc2ccccc2c1 10764564 IBVBZWGRVDFTBO-UHFFFAOYSA-N 377.440 3.739 0 40 GHAB O=C(COC(=O)COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1 10841159 FORNGKHKRKBRNV-UHFFFAOYSA-N 379.412 3.872 0 40 GHAB Cc1ccc(-c2nnc(S[C@H](C)c3nc(-c4ccccc4)no3)n2N)cc1 53047694 WLBYAGUVJCFQIF-CYBMUJFWSA-N 378.461 3.871 0 40 GHAB CCn1c(SCc2ccc(OC)cc2)nnc(NCc2ccc(C)cc2)c1=O 28536700 QEICNWPMYJZYBR-UHFFFAOYSA-N 396.516 3.880 0 40 GHAB Cc1nc(-c2c[nH]c(C(=O)NCCc3ccc(-n4cccn4)cc3)c2)cs1 22200549 NZPYZRPOBVZNMP-UHFFFAOYSA-N 377.473 3.605 0 40 GHAB Nc1c(Cl)cc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1Cl 46810409 POSOPVBKBQJYOX-UHFFFAOYSA-N 378.219 3.592 0 40 GHAB Cc1cc(N)nc(SCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 53561684 JVFFFKDIZRHVSG-LJQANCHMSA-N 390.512 3.634 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)n1 47238821 BKELLFIKHXFMPH-HNNXBMFYSA-N 391.393 3.900 0 40 GHAB COc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 887721 ILPVZSKYYWCVLC-UHFFFAOYSA-N 395.440 3.667 0 40 GHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104678951 SZFDPJXWBDBUPO-UMPQAUOISA-N 387.549 3.898 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(N3CCOCC3)ccn2)cc1 23995549 SSYULXUTPOPAAK-QFIPXVFZSA-N 395.503 3.684 0 40 GHAB O=C(c1cncn1-c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 12548031 YFSDDAXXGCQQTL-UHFFFAOYSA-N 398.869 3.623 0 40 GHAB CC(=O)Nc1ccc(C(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@@H]3C2(C)C)cc1 100476961 KCQBABKFYXVBHT-BTYIYWSLSA-N 396.516 3.980 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2csc(C)c2)CC1 100750134 WJENJPNNEFVCNO-FUHIMQAGSA-N 385.533 3.865 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cccc(OC)c2)c(-c2cccc(Cl)c2)n1 57527451 FXXKRGDBYPAVFB-UHFFFAOYSA-N 397.862 3.773 0 40 GHAB O=C(CCn1c(S)nnc1-c1cccs1)N[C@@H]1CCCc2ccccc21 12696823 BSCGVWZSNGFKLR-OAHLLOKOSA-N 384.530 3.879 0 40 GHAB COc1ccc(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c(OC)c1 27018260 YIBLOAWXTNFVEQ-HXUWFJFHSA-N 396.468 3.816 0 40 GHAB CCCCOC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 1973037 FLVIEMNHFILWIF-MNOVXSKESA-N 380.535 3.933 0 40 GHAB CC1CCN(C[C@@H]2CCCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)C2)CC1 58146819 ULZPHGMBYPXGSA-KRWDZBQOSA-N 384.499 3.800 0 40 GHAB COc1ccc(-c2nn3c(COc4ccc(C)cc4)nnc3s2)c(OC)c1 10311971 PUKLLOYFJLCUBZ-UHFFFAOYSA-N 382.445 3.757 0 40 GHAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cc(OC)c(O)c(OC)c2)cc1 36357258 SKFGLLLNCFDKNR-OAHLLOKOSA-N 395.415 3.727 0 40 GHAB Fc1ccc(Br)cc1-c1nnc2sc(-c3ccncc3)nn12 36359842 UDOYWKQARCQHNS-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB O=c1/c(=C/c2ccc(Cl)c(Cl)c2)sc2nc(-c3ccc(F)cc3)nn12 2396364 PJLJFUBETXBEOF-ZSOIEALJSA-N 392.242 3.812 0 40 GHAB COC(=O)/C=C/c1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)c(OC)c1 12770044 ASSQLUPKPAHBJF-RNVIBTMRSA-N 387.407 3.735 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)COc3ccc(C(F)(F)F)cc3)ccc21 12811290 FRQOKZLALUGMHL-UHFFFAOYSA-N 378.350 3.632 0 40 GHAB C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)c1ccccc1 12877233 QXIJYRHDLJPPFW-MRXNPFEDSA-N 393.512 3.826 0 40 GHAB Cc1ccc(CN(C)C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 12855650 QBMOQZYRYUHUBG-UHFFFAOYSA-N 395.528 3.694 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cncc(Br)c1 3488709 ZFDLQSBSGBJPGN-UHFFFAOYSA-N 383.629 3.601 0 40 GHAB COc1ccc(CN(C)C(=O)c2cnn(-c3cccc(C)c3)c2C)c(OC)c1 12912073 ALDDHZFMLDODCR-UHFFFAOYSA-N 379.460 3.779 0 40 GHAB COc1ccccc1CN(Cc1cccs1)C(=O)Cn1c(C)csc1=O 12980362 WRTZHBISHXEAFQ-UHFFFAOYSA-N 388.514 3.517 0 40 GHAB CCOc1ccc(NC(=O)NCC(=O)Nc2ccc3c(c2)CCC3)cc1OCC 12945487 OGVBRWVLAZVLBC-UHFFFAOYSA-N 397.475 3.733 0 40 GHAB CCOc1ccc(SCC(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)cc1 89991193 MFSUMFIELCAIJE-HNNXBMFYSA-N 382.489 3.636 0 40 GHAB CC(=O)c1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8310451 STIYAMVSOFRJTN-HXUWFJFHSA-N 394.471 3.826 0 40 GHAB Cc1csc(=O)n1CCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 13010863 YCZJBPRGXDUPJK-CQSZACIVSA-N 387.530 3.624 0 40 GHAB Cc1ccccc1-n1nc(-c2nc(-c3cccnc3)no2)c2ccccc2c1=O 38652085 NWLXVADJKOSZCE-UHFFFAOYSA-N 381.395 3.806 0 40 GHAB C1=NC2=NC3=C([C@@H](c4cccs4)Oc4ccccc43)[C@H](c3cccnc3)N2N1 13213818 POZMCLWWAHFHMU-VQTJNVASSA-N 385.452 3.947 0 40 GHAB CCCc1cc(=O)oc2c(C(=O)CC(C)C)c3c(c(O)c12)C[C@@H](O)C(C)(C)O3 13459469 IWXVZIMHJKPWIP-OAHLLOKOSA-N 388.460 3.754 0 40 GHAB endogenous,in-man COc1ccc(CNC(=O)[C@H](C)n2c(C(F)(F)F)nc3ccccc32)cc1 4025146 KYSXJIRGOOGCCP-LBPRGKRZSA-N 377.366 3.941 0 40 GHAB O=C(OC[C@H](O)CNC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 4021033 XHRPEIKGBFXGFV-XCSTUTTESA-N 387.564 3.665 0 40 GHAB COc1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 17988282 MIAXQIOJAYVPSR-IRXDYDNUSA-N 379.412 3.594 0 40 GHAB CCCN(C(=O)Cc1c(C)noc1C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 13986573 FGDVFCZQCOLAOP-ZDUSSCGKSA-N 377.872 3.753 0 40 GHAB CCOC(=O)C1=C(CSc2ccc(F)cc2)NC(=O)N[C@H]1c1cccs1 6497398 ZLNOKZAYYCPBPS-INIZCTEOSA-N 392.477 3.851 0 40 GHAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc2c(c1)OCCCO2 14126681 VPABRZAWJFVWGD-UHFFFAOYSA-N 388.851 3.590 0 40 GHAB CCOc1ccccc1C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F 14240377 ILDOXEAMJCQOKV-UHFFFAOYSA-N 380.366 3.815 0 40 GHAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 14239628 CSQMQKPTFKIQOF-HXUWFJFHSA-N 378.428 3.766 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccccc4F)ncnc32)cc1 5478714 CKQKLHZQSMOTJX-UHFFFAOYSA-N 393.447 3.994 0 40 GHAB CCc1cccc(NC(=S)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 6584041 OLZRLGFASNZVNE-UHFFFAOYSA-N 377.535 3.617 0 40 GHAB COc1ccc([C@@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3C2)cc1OC 4777151 GFHAFFBZMORLOE-ZOBUZTSGSA-N 395.503 3.889 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-n2cnc3ccccc32)cc1 8707717 PDFHLOKMMIGECZ-LJQANCHMSA-N 399.450 3.938 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)Cn1c(=O)cnc2ccccc21 14940587 PKKVZIXTXBMHHV-UHFFFAOYSA-N 391.515 3.670 0 40 GHAB CCc1ccccc1Nc1nc(N)nc(CSc2nnc(C3CC3)n2CC)n1 6993423 LCVDBJJRIZULLC-UHFFFAOYSA-N 396.524 3.541 0 40 GHAB CN(CC(=O)Nc1ccccc1-c1ccccc1)S(=O)(=O)c1cccs1 5936893 ADFYYNAIEJOWLH-UHFFFAOYSA-N 386.498 3.674 0 40 GHAB COc1ccc(-c2noc(CSc3nnc(-c4ccco4)o3)n2)c(OC)c1 7112527 CKUDJEPLDWFSFZ-UHFFFAOYSA-N 386.389 3.689 0 40 GHAB COC(=O)[C@](C)(NCc1cc(Cl)nc(Cl)c1)c1cc(F)ccc1F 68827246 KPFLSDUOMKRPEN-MRXNPFEDSA-N 375.202 3.845 0 40 GHAB Cn1c(CNC(=O)c2cccc(NC(=O)c3cccs3)c2)nc2ccccc21 9337976 HCKXHIKITAEFKK-UHFFFAOYSA-N 390.468 3.817 0 40 GHAB CCN1CCN(c2ccc(C(=O)N(C)Cc3c(F)cccc3Cl)cc2)CC1 72284234 WEKIXJNABVLCKC-UHFFFAOYSA-N 389.902 3.893 0 40 GHAB CCOCCCC(=O)Nc1cc(-c2nnc3n2CCCCC3)c(F)cc1F 95954794 DOUNEIGFUJLYAH-UHFFFAOYSA-N 378.423 3.705 0 40 GHAB COc1ccc(-c2c(C)nn3c(O)cc(CSc4nnc(C)s4)nc23)cc1 9936203 CQWWTSSYAGYSQG-UHFFFAOYSA-N 399.501 3.871 0 40 GHAB C[C@H](O)C[C@H]1CCCN1C(=O)Nc1cccc(COC[C@@H]2CCCCO2)c1 89895241 BZFQRPNBXIKNCX-DBVUQKKJSA-N 376.497 3.540 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)c1 20456302 YIVOSMZFJXCEIP-LBPRGKRZSA-N 377.462 3.840 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1Cl 69515895 IPKRDOMGJFQGCD-OAHLLOKOSA-N 392.908 3.688 0 40 GHAB COc1cccc([C@@H](C)N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)c1 505525312 BVOSAWRTEDFPAS-OAHLLOKOSA-N 388.895 3.876 0 40 GHAB O=C(NCCN1CCc2ccccc2C1)c1cc(C2CC2)nn1-c1ccccc1 30318363 YURCFFXYRNGMIX-UHFFFAOYSA-N 386.499 3.538 0 40 GHAB O=C(Nn1c(Cc2cccs2)nc2cc(Cl)ccc2c1=O)c1ccco1 35315601 ZITYGOYRYPCDPZ-UHFFFAOYSA-N 385.832 3.679 0 40 GHAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1cc(Cl)ccc1F 1561738491 QFJRPPZENJRHNY-QGZVFWFLSA-N 379.840 3.644 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)CCc3ccccc3)ccc21 35588153 UPDCIOHHRFFONF-UHFFFAOYSA-N 386.561 3.554 0 40 GHAB COc1ccccc1CCCNC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 38772254 IHFZMIJJJYIELZ-HNNXBMFYSA-N 389.517 3.942 0 40 GHAB CC(C)Cn1ncc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1C1CC1 558047346 HFZGLJAYFMQWJJ-CYBMUJFWSA-N 375.494 3.541 0 40 GHAB N[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Br)cc1 72227511 XLAHFWOGFNHAKF-KBPBESRZSA-N 385.183 3.883 0 40 GHAB CCC(CC)C(=O)Nc1cccc(OCc2cc(=O)n3cc(C)ccc3n2)c1 33068143 YLRBBJQDINKOAF-UHFFFAOYSA-N 379.460 3.957 0 40 GHAB Cn1ccnc1[C@@H]1C[C@H](NC(=O)Nc2ccc3c4c(cccc24)CC3)CCO1 562589446 VHCULAFDOVQBOL-APWZRJJASA-N 376.460 3.714 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 222490981 NTBITMUAHQWRDQ-HNNXBMFYSA-N 390.936 3.737 0 40 GHAB O=C1CN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)c2ccccc2N1 44899889 NFIQGAYYSSGTJI-UHFFFAOYSA-N 383.451 3.848 0 40 GHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(Cc2ccccc2)CC1 224299728 UXRRMTVSYUACBA-LJQANCHMSA-N 378.516 3.677 0 40 GHAB COc1ccc([C@H](C)NCC(=O)NCCc2cccs2)cc1Br 49580937 IZAQOGRHOQLKRG-LBPRGKRZSA-N 397.338 3.529 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 225043476 LUVXUSAROLZJPT-RTBURBONSA-N 396.531 3.878 0 40 GHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCCO2 194385776 JJZUNJDRXDDDTH-UHFFFAOYSA-N 382.460 3.557 0 40 GHAB Clc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4ccccn4)no3)c2CO1 97077689 BPZUSLSFCWELEY-INIZCTEOSA-N 379.807 3.920 0 40 GHAB Cn1cncc1-c1cccc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)n1 257327446 XBKFJWOHOVKUTN-UHFFFAOYSA-N 376.460 3.560 0 40 GHAB CO[C@@]1(c2nnc(COc3cnc4c(Cl)c(Cl)ccc4c3)o2)CCOC1 585089140 GXIXVDVDRGVUKD-KRWDZBQOSA-N 396.230 3.766 0 40 GHAB C[C@@H]1CCCN(c2cc(C(=O)N3CCCC[C@H]3CCN3CCCC3)ccn2)C1 253603247 CHOLBNBCTWXMEK-CTNGQTDRSA-N 384.568 3.799 0 40 GHAB Cc1cccc(Oc2ccccc2NC(=O)N2CCC(N(C)CC(=O)O)CC2)c1 263479849 KLKHTKAVGBLFLL-UHFFFAOYSA-N 397.475 3.800 0 40 GHAB Cc1ccc2oc(C(=O)N[C@H](C)c3cc(F)ccc3N3CCN(C)CC3)cc2n1 591016020 UDIVWTDWYSHCLY-OAHLLOKOSA-N 396.466 3.518 0 40 GHAB O=C(N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)N1C[C@H]2CC[C@H]1[C@H](CO)C2 664876320 JERMHWQQGLKYKA-OYYDLILQSA-N 398.425 3.839 0 40 GHAB CO[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(C)s1 96104808 JNERHUVKXYNEFG-CYBMUJFWSA-N 395.424 3.621 0 40 GHAB CC(C)C[C@H](NC(=O)c1ccc(F)c2ccncc12)C(=O)Nc1nccs1 585107793 UGAYYNFVPBUYHA-INIZCTEOSA-N 386.452 3.614 0 40 GHAB CCO[C@H](C)c1nc(C)c(C(=O)NCc2ccc(-c3ccnn3C)cc2)s1 685939835 ZUFIZZOFQCCJPD-CQSZACIVSA-N 384.505 3.880 0 40 GHAB Cc1ccccc1-c1nc2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2n1 2335676 GIGCXRLSBBPPQI-NVNXTCNLSA-N 388.279 3.981 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccco4)n3C)c2C)no1 5864678 QJXKWJIQXDANNY-UHFFFAOYSA-N 397.460 3.754 0 40 GHAB Cc1ccc2nc(C)c(NC(=O)c3sc(-c4ccccc4)nc3C)c(=O)n2c1 11027524 UJJJLQYCNRSYKX-UHFFFAOYSA-N 390.468 3.996 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@@H](C)Cn3nc(C)nc3C)[C@H]3CCCC[C@H]32)cc1 12162350 WLHWAEMDYALJLU-FSTATDAESA-N 396.535 3.628 0 40 GHAB C[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccncc2)cc1 12221997 NBHAQDDWJKFJNF-DNVCBOLYSA-N 387.487 3.544 0 40 GHAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(C)c(C)c3)CC1)O2 12293544 HFIBPYNGULSOGC-FGZHOGPDSA-N 381.516 3.996 0 40 GHAB COc1ccc(-c2ncc(CN3CCC(O)(c4ccc(F)cc4)CC3)cn2)cc1 12363597 AYHKRFLXJSIHEM-UHFFFAOYSA-N 393.462 3.775 0 40 GHAB O=C([C@@H]1CN(C(=O)/C=C/c2cccs2)c2ccccc2O1)N1CCCCC1 14067843 UVSXUVPKMAOHSW-VYENPZKTSA-N 382.485 3.568 0 40 GHAB Cc1nn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c(=S)n1-n1cccc1 16777087 GFZMPUWZTMFQRS-UHFFFAOYSA-N 382.276 3.781 0 40 GHAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1sc(C(C)C)cc1C(N)=O)[C@H]2C(=O)O 17079665 CMENHWNZDUNOFG-TZCMFKBTSA-N 390.505 3.602 0 40 GHAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)nc(C2CC2)n1 19086137 KUDIFRPJAIYORT-GOSISDBHSA-N 377.492 3.933 0 40 GHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(CCc2ccccc2)C1 19591658 PKAWLHNPLMORFL-AREMUKBSSA-N 399.538 3.972 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(-n3nnnc3C)c2)cc1 19662296 NKWSHGAMKXVMHF-NRFANRHFSA-N 391.475 3.737 0 40 GHAB CCN(C(=O)c1cc(-c2ccccc2OC)[nH]n1)[C@H]1CNC2(CCCCC2)C1 19703895 DWBJIJJBFWTSME-MRXNPFEDSA-N 382.508 3.612 0 40 GHAB CN1CC=CC[C@@]2(CCCN(C(=O)C3(c4cccc(F)c4)CCCC3)C2)C1=O 19742603 NDAMHCWFYCIQRL-QFIPXVFZSA-N 384.495 3.665 0 40 GHAB CCc1nn2c(nnc3c(=O)n(-c4ccccc4F)ccc32)c1-c1ccccc1 19818959 FSOVWETXGZCZTH-UHFFFAOYSA-N 385.402 3.797 0 40 GHAB COc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)ccc1O 19550066 QDYDBQGQCYOBGB-HNNXBMFYSA-N 397.500 3.592 0 40 GHAB CC(C)[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1 3420148 AVBBFQXADYKWHI-MRXNPFEDSA-N 395.528 3.698 0 40 GHAB C[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)CCn1ccc2ccn(C)c2c1=O 1889031978 UPGQASGYIASCGC-NXTQRVMMSA-N 395.547 3.841 0 40 GHAB Cc1cnccc1OCC1CCN(C(=O)c2ccc(Br)o2)CC1 1889138964 RYZNUSOSQWCYPJ-UHFFFAOYSA-N 379.254 3.677 0 40 GHAB CN([C@@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ncn(C)c1Cl 27968596 ZBHYDUKBEVMRRQ-INIZCTEOSA-N 393.871 3.623 0 40 GHAB O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](Oc2cccc3cccnc23)C1 240122712 WHUQGMKBVCRYHV-OAHLLOKOSA-N 387.361 3.942 0 40 GHAB O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(N2C(=O)CCC2=O)cc1 1518517 KOFAHLKSJIGYDW-UHFFFAOYSA-N 385.832 3.855 0 40 GHAB Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@](=O)C3)cc1 2724954 VFYIEOWCAHPWJE-MHZLTWQESA-N 379.485 3.812 0 40 GHAB Cc1cccc(N2C(=O)N(c3ccc(C)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 4393672 LTFHTZINTPCJPH-ROUUACIJSA-N 390.892 3.569 0 40 GHAB O=S(=O)(NCCc1csc(-c2cccc(F)c2)n1)c1ccc(F)cc1F 5166119 YLRHMYCEIQHPKA-UHFFFAOYSA-N 398.431 3.748 0 40 GHAB O=C(CCCn1nc(-c2cccs2)ccc1=O)NCc1ccc(Cl)cc1 13698619 GDXLOJAAJPUHQA-UHFFFAOYSA-N 387.892 3.722 0 40 GHAB COc1ccc(C)cc1NC(=O)Cn1c(C)nc2c(sc3ccccc32)c1=O 16841594 UKRUQNCLCPULAQ-UHFFFAOYSA-N 393.468 3.875 0 40 GHAB O=C(Cc1cc(O)nc(SCc2ccccc2F)n1)N1CCc2ccccc21 23243122 XYWJTCDBOLRHRS-UHFFFAOYSA-N 395.459 3.745 0 40 GHAB O=S(=O)(c1ccc(Cl)s1)N1CCC(c2nnc(-c3ccco3)o2)CC1 35597682 JHMSRVROZNWDLM-UHFFFAOYSA-N 399.881 3.613 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)NCc3ccc(-c4ccco4)nc3)CC2=O)cc1C 225751498 HMAPHLPHDFYNNJ-GOSISDBHSA-N 389.455 3.628 0 40 GHAB Cc1cc(OCC(=O)NC(=S)Nc2cccc(C(=O)O)c2)cc(C)c1Cl 5894567 IIULJCOTTJZHFO-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB Cc1ccc([C@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)nc2)nc1 19215510 CWCSNHSJGPKIJB-NRFANRHFSA-N 394.544 3.757 0 40 GHAB Cc1nc2ccc(NC(=O)CCNC(=O)c3ccc(F)cc3F)cc2s1 10404387 MGOKFZZKEAMKKX-UHFFFAOYSA-N 375.400 3.642 0 40 GHAB O=C(NCCc1ccc2ccccc2c1)NCc1ccc(Cn2cncn2)cc1 31104224 OWDHOPZQLSVXMA-UHFFFAOYSA-N 385.471 3.522 0 40 GHAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCOCC4)cn3)s2)o1 31275215 VSDBCMORAKVLIW-UHFFFAOYSA-N 384.461 3.504 0 40 GHAB COc1ccc2[nH]cc([C@@H](O)CN3CCN(C/C=C/c4ccccc4)CC3)c2c1 20324393 SPCHUMRESOMODO-LNJOJYBOSA-N 391.515 3.541 0 40 GHAB COC(=O)c1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)s1 16707973 WCMASWNBKBNOCO-UHFFFAOYSA-N 381.837 3.531 0 40 GHAB Cn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccncc1 815660 AEJVZAQPHAMSJW-UHFFFAOYSA-N 389.278 3.615 0 40 GHAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102043964 GMUBXYGFPJMNFP-YXUGBTPSSA-N 377.827 3.883 0 40 GHAB O=C(Oc1ccc(Cl)cc1)C1CCC(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 102082880 DRFFJAFFOMLLGK-RPJSYZBDSA-N 399.874 3.611 0 40 GHAB CC(C)COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 4332805 YTCUAIYMJMVAFB-CYBMUJFWSA-N 376.840 3.954 0 40 GHAB Cc1ccc(CCC2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4=O)CC2)cc1 32754619 RLQXSEJFKZPEJJ-UHFFFAOYSA-N 392.499 3.687 0 40 GHAB Cc1cc2c(cc(C(=O)O[C@@H](C(=O)NC(C)(C)C)c3ccncc3)n2C)s1 4924360 HFAOMTDAMLMINI-QGZVFWFLSA-N 385.489 3.756 0 40 GHAB O=C(CCNC(=O)Nc1ccccc1)NCc1ccc(-c2ccc(F)cc2)o1 32752935 YPFZTCCXGPTUFN-UHFFFAOYSA-N 381.407 3.914 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(F)cc1 6453773 ALMOFPWZDZHTSI-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)n1 6966532 JVYQXMZYJKHXGA-LICLKQGHSA-N 381.457 3.682 0 40 GHAB COc1ccccc1[C@@H](NC(=O)N[C@H](C)CCc1ccccc1)c1nccn1C 32802557 SVCGDQONSZZHDR-DYESRHJHSA-N 392.503 3.839 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2ccccc21)c1ccccc1 32843520 CYTIHFBOGOEXID-PKTZIBPZSA-N 384.479 3.831 0 40 GHAB Cc1c(NC(=O)[C@H](C)Sc2ccccc2F)c(=O)n(-c2ccccc2)n1C 8388655 ZEAZJXOSPKBAEL-AWEZNQCLSA-N 385.464 3.743 0 40 GHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)c1C 8413834 MJMZEXOELMNPPX-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CCOC(=O)C1=C(C)N(C)C(SC)=N[C@@H]1c1ccc(Br)cc1 107623528 KJDJGBVWMQWGIB-CQSZACIVSA-N 383.311 3.992 0 40 GHAB O=C(COC(=O)CCC(=O)c1ccccc1)Nc1ccc(Br)cc1 8433603 CQATVYHFNOIUIA-UHFFFAOYSA-N 390.233 3.594 0 40 GHAB CCOc1cc2c(cc1CSCc1nnnn1-c1ccccc1)O[C@H](C)C2 32909492 NYAIUPFKSLPUNT-CQSZACIVSA-N 382.489 3.818 0 40 GHAB CCCCOC(=O)c1ccc(OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 32986228 VOIBIFPOOHWRBI-UHFFFAOYSA-N 395.411 3.516 0 40 GHAB Cc1csc(C(=O)N2[C@H]3CC[C@H]2CC(S(=O)(=O)c2ccccc2)C3)c1 101323134 HEEDGZPBSWKCPC-GJZGRUSLSA-N 375.515 3.666 0 40 GHAB O=C1[C@@H]2N=NN(Cc3c(F)cccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 101168127 DNBUATFXBNGHIX-HUUCEWRRSA-N 393.205 3.626 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 33097538 MHDOJPDRHYUZBS-MRXNPFEDSA-N 378.259 3.940 0 40 GHAB O=C(NCc1nc(-c2cccc(Cl)c2)no1)C1(c2ccccc2)CCOCC1 172228881 LLLSZRXASJODMH-UHFFFAOYSA-N 397.862 3.755 0 40 GHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1OC[C@@H]1CCCO1 22870977 BSHFXUMRZZWSMC-UNMCSNQZSA-N 394.515 3.811 0 40 GHAB C[C@@H]1Cc2cc(S(=O)(=O)N3CCCCCC3)ccc2N1C(=O)c1ccccc1 28207052 JGBVMCXHQXZFNX-QGZVFWFLSA-N 398.528 3.843 0 40 GHAB COc1cccc([C@H](NC(=O)NCCSc2ccccc2)c2nccn2C)c1 29325747 HSHIUQYTTSMFGC-IBGZPJMESA-N 396.516 3.610 0 40 GHAB O=C1c2ccccc2C(=O)N1CCSc1ncnc2sc3c(c12)CCCC3 943186 JTFJOOKEQDTYCE-UHFFFAOYSA-N 395.509 3.958 0 40 GHAB CN1CCN(C(=O)/C=C/c2ccc(OC(F)F)cc2)c2nc3ccccc3nc21 25090379 YAVDURGWWLBWFO-DHZHZOJOSA-N 396.397 3.727 0 40 GHAB COc1ccc(C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1 1388013 HYYHDPAWPNRBJB-UHFFFAOYSA-N 378.215 3.940 0 40 GHAB O=C(Nc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1)NC1CC1 25090730 ILSMLTWXLMQBJD-UHFFFAOYSA-N 379.395 3.752 0 40 GHAB Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cn2)c(C)n1Cc1ccccc1 43484692 YGCUQEUZPDTDOU-UHFFFAOYSA-N 390.487 3.637 0 40 GHAB CCc1noc(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4)C3)cc2)n1 21792478 VJBLJXNPPOULCQ-INIZCTEOSA-N 390.443 3.599 0 40 GHAB Cc1nc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)nn1-c1ccc(F)cc1 12601237 ZUOVYLLKHZWSMZ-GOSISDBHSA-N 390.422 3.568 0 40 GHAB CC(=O)c1cccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)cc2=O)c1 57526887 YTWHDYONTKSULW-UHFFFAOYSA-N 395.846 3.713 0 40 GHAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)CC3CCCC3)n2)cc1 12630276 UPBXAMLCHVHNQX-UHFFFAOYSA-N 379.507 3.700 0 40 GHAB O=C(Nc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1)NC1CC1 24860071 GMWOODPDVVIKSZ-UHFFFAOYSA-N 388.431 3.756 0 40 GHAB CCc1nnc(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)s1 3308538 SIZCAHKKHRKDBC-UHFFFAOYSA-N 388.449 3.545 0 40 GHAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/C(=O)O)c2C(=O)OC)C1 2086123 UFCUVRGIXPGMDF-FBOQAHMBSA-N 379.478 3.655 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc(Br)s1)c1nnc2ccccn12 58244756 MTKNNZNQTLXTEK-ZDUSSCGKSA-N 379.283 3.680 0 40 GHAB O=C(NCCCN1c2ccccc2Sc2ccccc21)c1cccc[n+]1[O-] 58392086 AODWDNFGBDVOJW-UHFFFAOYSA-N 377.469 3.743 0 40 GHAB CSCC[C@@H](C(=O)N[C@@H](C)CCCC(C)C)N1C(=O)c2ccccc2C1=O 12755083 LYENUFRFDDXWHM-YJBOKZPZSA-N 390.549 3.735 0 40 GHAB COC(=O)c1cc(O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc(C(=O)OC)c1 11204730 XINODXSFXNXHQL-CYBMUJFWSA-N 395.411 3.700 0 40 GHAB O=C(CCc1nc(-c2cccnc2)no1)NCC1(c2ccc(F)cc2)CCCC1 48341731 TVYJEHLGUORIEG-UHFFFAOYSA-N 394.450 3.832 0 40 GHAB CCCCCOc1ccc(-c2nc3s/c(=C\c4cccs4)c(=O)n3n2)cc1 3649066 LHJHMAXOFFOMPO-LGMDPLHJSA-N 397.525 3.996 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C 18083935 LXMRQFPWRPQMHL-UHFFFAOYSA-N 392.459 3.637 0 40 GHAB O=C(CC1(C(=O)O)CCCCC1)Nc1ccccc1I 13250239 IUBYIJIDHNEVFS-UHFFFAOYSA-N 387.217 3.655 0 40 GHAB Cc1nc2nc3ccn(Cc4ccco4)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 38828869 HDYKAJROUKZDLT-UHFFFAOYSA-N 391.818 3.709 0 40 GHAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ncc(Cl)cc1Cl 6097647 NWOPQXBJKLJLJW-SECBINFHSA-N 386.308 3.826 0 40 GHAB COc1ccc(CCCc2nnc(SCC(=O)c3ccccc3)n2C)cc1 6234744 KHOZHFSFNQXNMV-UHFFFAOYSA-N 381.501 3.974 0 40 GHAB COc1cc(C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)cc(Cl)c1OC 5429763 RNUBRZHSALKYRR-GFCCVEGCSA-N 377.824 3.566 0 40 GHAB COc1cc(N[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c(OC)cc1Cl 6510054 RCQMYIWTYDGSRR-LLVKDONJSA-N 376.840 3.999 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccccc1O 8764951 RCRLDEFIHWQGFH-HGJFNOKFSA-N 399.446 3.913 0 40 GHAB biogenic O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1cccs1 18205502 ZMGKQUSQGXLVPI-HNNXBMFYSA-N 394.949 3.915 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@H]2c1ccc(Cl)cc1Cl 71281525 IPBVFICOOIUCOR-LBPRGKRZSA-N 382.247 3.536 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 15180782 LSRTYYSOTPGZAS-ISTRZQFTSA-N 386.835 3.810 0 40 GHAB CC(C)Oc1ccc(CNC(=O)c2sccc2NC(=O)c2cnccn2)cc1 67335687 NQLFMHAVGQQMLB-UHFFFAOYSA-N 396.472 3.508 0 40 GHAB CC(C)COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 7610815 LROXBTYRSUUDEB-LJQANCHMSA-N 396.487 3.883 0 40 GHAB CC(=O)Nc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1cccs1 7895635 OZUUZTHPANSUSU-NRFANRHFSA-N 380.469 3.991 0 40 GHAB O=C(c1ccc(COc2ccccc2)o1)N1CCN(C(=O)c2cccs2)CC1 7899871 HWLLPGCYGPDAEF-UHFFFAOYSA-N 396.468 3.518 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)Cc2coc3cc(C)c(C)cc23)c1C 9436587 HSVQJZYVUCRZPJ-UHFFFAOYSA-N 397.427 3.750 0 40 GHAB CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 95463189 NJQLFOLSKHKVRZ-FDFHNCONSA-N 381.472 3.929 0 40 GHAB CCOC(CSc1nc2sc3c(c2c(=O)n1CC)CCCC3)OCC 95941646 VCCNPSXALOKSCE-UHFFFAOYSA-N 382.551 3.848 0 40 GHAB O=C(Nc1ccccn1)C1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CC2)CC1 95953703 PUFIZYYUKYVDIN-HXUWFJFHSA-N 396.466 3.732 0 40 GHAB CCC[C@@H](NC1CCN(CCc2ccc(F)cc2)CC1)C(=O)OC(C)(C)C 95943398 FQRSOSOFIZWFIK-HXUWFJFHSA-N 378.532 3.933 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1ccc(F)c(Cl)c1 79485207 AEJJDCZTRIFQQV-MRXNPFEDSA-N 397.859 3.971 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)C1 75105080 DNANQYCHXXZIAH-HXUWFJFHSA-N 376.453 3.780 0 40 GHAB C[C@@]1(CCc2ccccc2)NC(=O)N(CN2CC=C(c3ccccc3)CC2)C1=O 22751673 KSFARNIVROSTGG-DEOSSOPVSA-N 389.499 3.677 0 40 GHAB CCCCN(CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@@H](C)CC 26649325 DWGQNKBKEXDEMJ-KRWDZBQOSA-N 397.585 3.556 0 40 GHAB COc1cc(/C=C/C(=O)NCCC(=O)O)ccc1OCc1ccc(Cl)cc1 62715138 RVPMQGPTXMMJRR-WEVVVXLNSA-N 389.835 3.532 0 40 GHAB CC(C)C1=NN(C(=O)COc2ccc(Cl)cc2Cl)[C@@](O)(C(F)(F)F)C1 409058597 TWAADENKKZLABR-AWEZNQCLSA-N 399.196 3.867 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 409407826 AFYZXMZCFXXDMD-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB COc1ccccc1-c1cccc([C@@H]2CCCN(C3CCN(C(C)=O)CC3)C2)n1 72350192 KNYNSKIRDUYSAR-LJQANCHMSA-N 393.531 3.948 0 40 GHAB CCc1nnc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4ccccc4)C3)n2)s1 72382440 GVIIYQXGVHLGAK-OAHLLOKOSA-N 394.504 3.572 0 40 GHAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)c2ccco2)c(C)c1 670164099 GJSGLUQLJYWHNQ-INIZCTEOSA-N 377.487 3.769 0 40 GHAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)C3CCN(C)CC3)n2)cc1 72358276 PUKWVKDLDKMYRY-QHCPKHFHSA-N 377.532 3.986 0 40 GHAB O=c1c2sccc2n(Cc2ccc(F)cc2Cl)c(=O)n1Cc1ccco1 71327727 XZMCSTYEGWKSEU-UHFFFAOYSA-N 390.823 3.707 0 40 GHAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 44848041 QUUVXROBKSWHBA-LFYBBSHMSA-N 397.431 3.673 0 40 GHAB COc1ccc(-c2ccc(C(=O)O)o2)c(NS(=O)(=O)c2ccc(F)cc2)c1 226353525 UCFXAOFECZSCRZ-UHFFFAOYSA-N 391.376 3.593 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 224694499 JWSSXPZQHIEIHL-QGZVFWFLSA-N 398.569 3.574 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 575444495 KGJMNHPXQXHXLU-BFUOFWGJSA-N 380.448 3.878 0 40 GHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCc1ccccc1Cl 222976414 RHUIHYBADRRAFF-OAHLLOKOSA-N 388.895 3.792 0 40 GHAB COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc3c(c1)OCCO3)CC(C)(C)O2 222645338 BWRYPZZRUUHPDT-SFHVURJKSA-N 397.471 3.818 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(CC)cc1 224695098 RIZICACGXRQDNY-LJQANCHMSA-N 396.531 3.880 0 40 GHAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2cc(OC)ccc2c1 223696932 OZVMAWVPFZKOBF-UHFFFAOYSA-N 398.484 3.789 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)NCc1ccccc1CN1CCCCC1 224828693 YPWGOSLITGKFMD-UHFFFAOYSA-N 392.952 3.946 0 40 GHAB Cc1cc(C)c(OCC(=O)N2N=C3CC[C@H](C)C[C@@H]3[C@]2(O)C(F)(F)F)c(C)c1 245297731 WSDOIVIDDHNPSL-LLJZQGTPSA-N 398.425 3.876 0 40 GHAB Cc1nc(-c2c(C)noc2C)cc([C@@H]2CCCN2C(=O)c2scnc2C)n1 257281554 OPTVVYWIJLXITI-INIZCTEOSA-N 383.477 3.799 0 40 GHAB O=C(c1nccc2ccccc12)N1CCC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 257258859 KVUQNQPLSIXLTD-MRXNPFEDSA-N 398.470 3.510 0 40 GHAB COc1ccc(Cl)cc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 257340296 ZFKFRZUOEWGLBT-AVYPCKFXSA-N 387.911 3.980 0 40 GHAB O=C(CCCCCOC(=O)c1ccccc1)OCC(=O)OCc1ccccc1 263583500 CEYQNNQMXLHZDS-UHFFFAOYSA-N 384.428 3.690 0 40 GHAB Fc1ccc(C[C@@H](NCc2cnn3c2CCC3)[C@H]2COc3ccccc3O2)cc1 657471857 IMNUUMYCJIKZKY-AUSIDOKSSA-N 393.462 3.509 0 40 GHAB CCC(=O)N1CCCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1 663408615 VIKRLMAPDUSXRB-UHFFFAOYSA-N 389.503 3.691 0 40 GHAB CO[C@@H]1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)C1 96381324 GTJWGJAEPJBWLM-OAQYLSRUSA-N 380.488 3.599 0 40 GHAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1cc(Cl)ccc1F 585111434 ANFAXCMMVPAXAG-IBGZPJMESA-N 399.853 3.768 0 40 GHAB COCCOc1cc(C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)nc2ccccc12 678649674 PBJNZNMSOIZPSU-ZWKOTPCHSA-N 398.503 3.539 0 40 GHAB Cc1ccsc1CN1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615126882 ALEDGGBNFUWOKD-NRFANRHFSA-N 388.508 3.984 0 40 GHAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc4c(c3)OCCO4)nnc12 5060022 LTYKBTICHGLVIU-ASSNKEHSSA-N 397.500 3.793 0 40 GHAB COc1cccc(NCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)c1 5738854 AANRDWSKCVHIPB-CAOOACKPSA-N 384.413 3.530 0 40 GHAB O[C@@H]1CCCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccs3)n2)C1 12185796 PTLSYMFPDDRAKL-CQSZACIVSA-N 381.457 3.562 0 40 GHAB CCOc1cc2c(cc1CNC(=O)[C@H]1Cc3cc(Cl)ccc3O1)O[C@H](C)C2 12936266 SNIZZUFNYLODEK-MPBGBICISA-N 387.863 3.682 0 40 GHAB CCOc1ccc(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)cc1 17307948 RXILUXCJJWASQX-UHFFFAOYSA-N 379.441 3.649 0 40 GHAB Cc1nc(-c2ccc(NC(=O)c3ccnc(N4CCOCC4)c3)cc2)cs1 19285634 ANKXHPXOZYWUTI-UHFFFAOYSA-N 380.473 3.602 0 40 GHAB O=C(CC[C@@H]1C(=O)Nc2ccccc21)NCc1cccc(N2CCCCC2)c1 19714409 UATVWUXNOPOFMW-FQEVSTJZSA-N 377.488 3.809 0 40 GHAB C[C@H](NC(=O)c1cnc(-c2ccccc2)[nH]c1=O)c1ccc(Br)cc1 19937337 LIOLAAAXZNWLJQ-LBPRGKRZSA-N 398.260 3.690 0 40 GHAB CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1C(C)C 8477430 DWYNNLBAWUBUFG-LDADJPATSA-N 384.476 3.922 0 40 GHAB C[C@@H](NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1)c1ccn(C)n1 654591138 UVCSWWAWJCIREN-CQSZACIVSA-N 376.451 3.814 0 40 GHAB Cc1cccc(CN2CC[C@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)n1 19236131 DPVKNFUEPRZDHN-RUZDIDTESA-N 385.511 3.977 0 40 GHAB COc1cc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc(OC)c1OC 7696853 LDVWGUVLXAEGII-UHFFFAOYSA-N 381.432 3.518 0 40 GHAB Cc1ccc(OCC2CCN(Cc3cccc(Br)c3)CC2)nn1 2087139487 ZMOBBSBGTFYLRJ-UHFFFAOYSA-N 376.298 3.839 0 40 GHAB Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 3481476 LPVNXQAWGWPTTF-HOTGVXAUSA-N 386.517 3.914 0 40 GHAB CC[C@@H](C(=O)N(c1ccc(OC)cc1)[C@@H]1C=CS(=O)(=O)C1)c1ccccc1 4165489 KCOITLUUOBCUGR-UYAOXDASSA-N 385.485 3.533 0 40 GHAB Cc1ccc2nc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)sc2c1 4496256 CYMQLEHWITVWQN-UHFFFAOYSA-N 378.450 3.546 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCCOc2cccc3ccccc23)c2ccccc21 4987867 BAFFSQZLUMMGGV-XMMPIXPASA-N 389.451 3.822 0 40 GHAB CC(C)CCNC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 8851821 IDNDVOMPWMUMOA-UHFFFAOYSA-N 395.525 3.718 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCN(c2nccs2)C1 206810328 QXSABPFLERHFMD-LBPRGKRZSA-N 388.880 3.769 0 40 GHAB c1ccc(Cn2c(CN3CCN(Cc4cccnc4)CC3)nc3ccccc32)cc1 36708003 BIUFRADRJXFTCT-UHFFFAOYSA-N 397.526 3.797 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@H](N2CCc3ccccc3C2)C1 225687457 PXHONLXVYZZRAL-FQEVSTJZSA-N 388.433 3.907 0 40 GHAB Cc1ccc(-c2noc(C3CCN(S(=O)(=O)c4cccs4)CC3)n2)cc1 12415395 YYXJAEAYNQUIQN-UHFFFAOYSA-N 389.502 3.675 0 40 GHAB CSc1ccc([C@H](O)CNC(=O)CCc2ccccc2Br)cc1 96103174 JISWAGRFUDULKP-QGZVFWFLSA-N 394.334 3.953 0 40 GHAB CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccccc3C)cc2)CC1=O 10462079 QOJUESKJTJCKLW-GOSISDBHSA-N 393.487 3.834 0 40 GHAB O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1cccnc1S 40112628 NOHHMRADMFPJPE-GOSISDBHSA-N 395.553 3.961 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CC[C@H](C(F)(F)F)NC1=O 36837643 JEPAMZNOKIBIMD-IAGOWNOFSA-N 392.377 3.661 0 40 GHAB Cc1ccc(-c2nc3ccccc3c(=O)n2CS(=O)(=O)c2ccccc2)cc1 844690 PNPSMTVRSFXWFW-UHFFFAOYSA-N 390.464 3.803 0 40 GHAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3nc4c(s3)CCCC4)ccc12 935582 QMDLZAXXGRZVII-LBPRGKRZSA-N 384.457 3.843 0 40 GHAB CCc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1 1265982 JZVCUXFZXLUNDD-UHFFFAOYSA-N 379.504 3.806 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1C 1362763 PERVERQHVRSHLJ-OAHLLOKOSA-N 381.505 3.645 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(NC(=O)C3CCC3)s2)cc1 1381426 BOVOSPKPONWGQN-UHFFFAOYSA-N 376.507 3.570 0 40 GHAB O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc2ccccc2c1 2777010 ZJQOKHCBKKKOPU-UHFFFAOYSA-N 398.875 3.934 0 40 GHAB COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1cscn1 32779767 MFVBWMRAEYSUPV-UHFFFAOYSA-N 398.440 3.754 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)C1 2633117 HWUHBHNZPIMNRK-HNNXBMFYSA-N 378.428 3.910 0 40 GHAB CCn1c(CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)nc2ccccc21 32891545 AZNNXXZMKQKEHK-UHFFFAOYSA-N 390.487 3.861 0 40 GHAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC[C@H](C(F)(F)F)NC1=O 32809591 QKALHUVRFLMWKS-HZPDHXFCSA-N 378.350 3.875 0 40 GHAB CC[C@H](C)NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 6707170 HKCBTBDXAZOHGL-HNNXBMFYSA-N 394.924 3.758 0 40 GHAB COc1ccc(CCCNC(=O)c2ccc(Br)cc2)cc1OC 59386037 ARUYMMMDKQMATE-UHFFFAOYSA-N 378.266 3.829 0 40 GHAB O=C(Nc1cc(N2CCCC2=O)ccc1Cl)[C@@H]1CC(c2ccccc2)=NO1 41930693 NTSDNHGKBOVIPV-SFHVURJKSA-N 383.835 3.599 0 40 GHAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1c(OC)ccc2ccccc12 28465958 DKHGVTJJOWYTAY-LJQANCHMSA-N 396.468 3.672 0 40 GHAB Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)/C=C/c1cnn(C)c1 1019029 FHYJMWCNQRIJFL-BQYQJAHWSA-N 387.846 3.726 0 40 GHAB C[C@@H](C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1)n1cncn1 24583155 DWFHMUWSEOUCCF-NSHDSACASA-N 387.802 3.523 0 40 GHAB Cc1ccccc1-n1cnn(CN2CCN(c3ccccc3F)CC2)c1=S 12563435 YVGXYFNRNLDCHN-UHFFFAOYSA-N 383.496 3.631 0 40 GHAB O=S(=O)(Cc1cc(Cl)nc(-c2ccccn2)n1)c1ccc(Cl)cc1 1405895 DZZMQTQHFUSLMP-UHFFFAOYSA-N 380.256 3.819 0 40 GHAB O=C1CSc2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)cc2N1 12573509 WNXGBENFXDSSJB-MRXNPFEDSA-N 378.457 3.584 0 40 GHAB COc1ccc(-c2nnc(SC[C@@H]3CN(Cc4ccccc4)CCO3)o2)cc1 25747092 RSRQELDBFXGXMC-IBGZPJMESA-N 397.500 3.738 0 40 GHAB CCN(CC)C(=O)[C@@H](NC(=O)N(Cc1cccc(O)c1)C1CC1)c1ccccc1 57112979 JZWIHZSAIJJRSP-NRFANRHFSA-N 395.503 3.676 0 40 GHAB O=C(NCc1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20047651 NZFDAGKVUIHPEA-UHFFFAOYSA-N 390.848 3.664 0 40 GHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](CCc2ccccc2)N1C(C)=O 2087425 MDGISEDFHJJVBF-SFTDATJTSA-N 376.456 3.788 0 40 GHAB biogenic Cc1ccc([C@H](NC(=O)c2cccc(NS(C)(=O)=O)c2)c2ccccc2)cc1 22510091 PROJMMKTIUDVNM-OAQYLSRUSA-N 394.496 3.886 0 40 GHAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1n[nH]c(=O)c2ccccc12 10290367 JWBQGTYSCQVYBY-QGZVFWFLSA-N 379.416 3.643 0 40 GHAB C[C@@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)OCC(N)=O)c2C1 20821594 HQMKCRRTFZEMAV-MBFWDRTGSA-N 376.412 3.593 0 40 GHAB CCN(CC)[C@H](CNC(=O)CSc1c(C)n[nH]c1C)c1ccccc1Cl 58305427 CGPGIXDHNGLFIX-QGZVFWFLSA-N 394.972 3.971 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1C 12683864 HFNRGXQPXCFBCA-QGZVFWFLSA-N 382.460 3.973 0 40 GHAB CSc1ccccc1NC(=O)CN(C)C(=O)Cc1c(F)cccc1Cl 3351215 QNOQEFVDTGMFEB-UHFFFAOYSA-N 380.872 3.841 0 40 GHAB CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc2c(c1)OCCO2 2460162 UVIVAHYTVKQEJQ-LEOMRAHMSA-N 388.508 3.754 0 40 GHAB Cn1c(=O)n(CC(=O)Nc2ccccc2SCC(F)(F)F)c2ccccc21 12742760 STRMZOJFAQPGRV-UHFFFAOYSA-N 395.406 3.633 0 40 GHAB COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3ccc(C(=O)O)cc3)nc2c1 12861941 MPPNYNWVLTVRRV-ZSOIEALJSA-N 384.775 3.557 0 40 GHAB COc1cc(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)ccc1OC(F)F 3489740 ZPABBGGCWJPMER-LBPRGKRZSA-N 379.359 3.505 0 40 GHAB COc1ccc(CCC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)cc1 3427554 QMTNWUXRQQCHJZ-UHFFFAOYSA-N 394.452 3.594 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2Cl)ccc1C 3562273 CRKSMIPAPDMGAY-UHFFFAOYSA-N 394.924 3.609 0 40 GHAB Cc1nc(-c2ccco2)nc2sc(C(=O)NC[C@@H](C(C)C)N(C)C)c(C)c12 12950103 ZYIYIXKHGSCNFP-AWEZNQCLSA-N 386.521 3.884 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12991700 PIUZCYCYAXVHHP-FQEVSTJZSA-N 391.489 3.532 0 40 GHAB Cc1ccc(NC(=O)c2c(O)n(-c3ccc(C)cc3)n[n+]2Cc2ccccc2)cc1 3765429 KPDRDFBVGLCGBM-UHFFFAOYSA-O 399.474 3.783 0 40 GHAB CSc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCCCCC3)n2)cc1 49545714 WFWZBARLUHCSII-UHFFFAOYSA-N 385.533 3.861 0 40 GHAB Cc1ccc2c(C)c(C(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)oc2c1 4183512 BWNHNJOUCIHTPY-SFHVURJKSA-N 397.496 3.879 0 40 GHAB CCN(CC)CCOc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1 69950371 FUPFQLTVGREXOW-UHFFFAOYSA-N 378.476 3.845 0 40 GHAB O=C(CCCn1cnc2ccccc2c1=O)Nc1ccccc1Br 5245039 YNHIJMXORACBNR-UHFFFAOYSA-N 386.249 3.578 0 40 GHAB O=C(COC(=O)c1cccc(Br)c1)N[C@H]1CCCc2ccccc21 6377262 IBUZDZXZFWZNEK-KRWDZBQOSA-N 388.261 3.800 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc21 4484484 XCTRMHMGUCMXDK-ZDUSSCGKSA-N 383.473 3.947 0 40 GHAB O=C1C[C@@H](c2ccccc2)N(C(=O)Nc2cccc(C(F)(F)F)c2)CCN1 65521924 OMRSXSSWRZDKLM-INIZCTEOSA-N 377.366 3.801 0 40 GHAB Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(Cl)cc1Cl)N(C)C=O 4568412 KMLOOJGRIQUYDE-KRWDZBQOSA-N 390.274 3.764 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc2c(c1)OCCCO2 14232935 IVXUNJQTGXQBCB-UHFFFAOYSA-N 382.441 3.797 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C(F)(F)F)cc1 5443778 REQHBUZKSDTSCY-UHFFFAOYSA-N 386.395 3.516 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)OCc1nc2ccccc2n1C(F)F 14902907 HHPQFODXGBTCTA-UHFFFAOYSA-N 398.369 3.983 0 40 GHAB Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C1CCCCC1 5865377 MFSKTZUCVOAHQG-UHFFFAOYSA-N 399.564 3.533 0 40 GHAB CCCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccncc1 6944827 QXWZJPGGEIQIBM-UHFFFAOYSA-N 395.488 3.684 0 40 GHAB CC(C)(C)NC(=O)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 408973383 APVXEIZACHYWBL-UHFFFAOYSA-N 379.441 3.625 0 40 GHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 7596184 PBMUQBWYKHRZEO-UHFFFAOYSA-N 392.480 3.760 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)COc1cc(C)ccc1C(C)C)N(C)C 7671222 DZALFGIYBJCLSO-HXUWFJFHSA-N 384.520 3.925 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1 16002070 FGNPRJBUNMNUIC-OAQYLSRUSA-N 396.531 3.514 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1 16181711 BLXLOOUYVUPUDK-UHFFFAOYSA-N 386.423 3.969 0 40 GHAB CC(C)c1nc(Cc2ccc(NC(=O)Cc3ccccc3C(=O)O)cc2)no1 71285078 OABUOHCBQOYZTN-UHFFFAOYSA-N 379.416 3.663 0 40 GHAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)N[C@H](C)c3cccs3)cnc12 9157616 MXVCPYUONKDABE-GFCCVEGCSA-N 398.513 3.562 0 40 GHAB Cc1nnc(SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)s1 8157333 NHSUTAWYBQLTBU-KRWDZBQOSA-N 393.534 3.613 0 40 GHAB O=c1/c(=C/C=C/c2ccccc2)sc2nc(/C=C/c3ccc(F)cc3)nn12 16750138 AUNKKNNEALCPGV-PBFDEZFCSA-N 375.428 3.673 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NCc1cc(=O)oc2c(C)c(C)ccc12 8212775 ZFYCHRAMXMKELK-UHFFFAOYSA-N 397.427 3.826 0 40 GHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)c(OC)c1 9320939 ZZWMXRCKRZQSLH-OAHLLOKOSA-N 393.443 3.891 0 40 GHAB O=C(CCC(=O)N1CCN(c2ccc(O)cc2)CC1)c1ccc2c(c1)CCCC2 9548535 ZEBLYAHFLXZKSJ-UHFFFAOYSA-N 392.499 3.583 0 40 GHAB COc1ccccc1OCCSc1nnc(COc2ccccc2C)n1C 9667599 CSDZKXMCDONCHK-UHFFFAOYSA-N 385.489 3.882 0 40 GHAB COC(=O)[C@@H](CNc1ncnc2ccc(Br)cc12)c1ccccc1 78903451 NBGMXZWZNGHOHK-HNNXBMFYSA-N 386.249 3.761 0 40 GHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCn2ncc(=O)c3ccccc32)o1 72303805 DYKFMHDBPCRSIY-KXBFYZLASA-N 379.460 3.688 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(COc3ccccc3)o2)c1 24589779 RWSHXQPLAUMXEW-UHFFFAOYSA-N 394.427 3.578 0 40 GHAB O=C(c1cnccn1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72358748 RAYLVMDAHIICBF-HNNXBMFYSA-N 379.851 3.607 0 40 GHAB CCSc1ccccc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 219173472 MVUNEQYFEJXGTP-UHFFFAOYSA-N 392.546 3.984 0 40 GHAB CC(C)Oc1ccc(CNC(=O)COc2ccc(Br)cc2)cc1 36559436 QRKSZANXPRPLDF-UHFFFAOYSA-N 378.266 3.932 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223753778 OBMNOSXUIWYPME-IBGZPJMESA-N 394.515 3.850 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 224553513 WPRKKMPQIUIXLC-OAQYLSRUSA-N 384.495 3.948 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 224691797 LQNRGSUBGYHKCH-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB CC[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccc(S(C)(=O)=O)cc1 225724292 PWUFVWJLAOWBMR-OAHLLOKOSA-N 384.473 3.806 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12 222430481 WTRLZYPOOJLBHP-GOSISDBHSA-N 390.483 3.690 0 40 GHAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2ccc(Br)cc2)no1 49006327 YIPWNPNAZMRIPH-UHFFFAOYSA-N 395.216 3.712 0 40 GHAB Cc1cccc(CN2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C)CC2)c1 225055485 YVYDIEUBDASYQV-UHFFFAOYSA-N 395.528 3.759 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(OC)cc1 223134127 WKIMSPIBHHODCQ-IBGZPJMESA-N 396.531 3.880 0 40 GHAB O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cncc(Br)c1 48344334 KBZBHMVMXYHRFB-UHFFFAOYSA-N 389.171 3.715 0 40 GHAB CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C1CCCCC1 44899667 PGWJSJKQMZGZDP-UHFFFAOYSA-N 398.956 3.919 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1cccc(CN2CCCC2)c1 224624748 XHQXYPIRVYTDBW-JOCHJYFZSA-N 382.504 3.765 0 40 GHAB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 193902240 OZQKXZFAXNZPAV-CVEARBPZSA-N 397.496 3.888 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)Oc2ccccc21 96053333 XTTJCRRMZKLQTP-GOSISDBHSA-N 396.487 3.735 0 40 GHAB Cn1cc(CN2C[C@H](OCc3nc4ccccc4[nH]3)[C@H](F)C2)c2ccccc21 96112178 AKNSDAKZCNRRML-UTKZUKDTSA-N 378.451 3.794 0 40 GHAB biogenic,in-vitro Cc1cnc(N2CCc3nc(-c4cccc(F)c4)nc(NC4CC4)c3C2)nc1 96254229 PMPRKPVQVLXOCZ-UHFFFAOYSA-N 376.439 3.518 0 40 GHAB O=C(N1CCC[C@@H](Cc2ccccn2)C1)C1(c2ccccc2F)CCOCC1 257280038 OJEZHFAAXLBHDB-SFHVURJKSA-N 382.479 3.750 0 40 GHAB Cc1nc(-c2c(C)noc2C)cc([C@H]2CCCN2C(=O)CC2CCOCC2)n1 257266004 MBEZEVQYJVSWOY-LJQANCHMSA-N 384.480 3.537 0 40 GHAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)Cc3ccccc3F)C2)cn1 257341585 ZKYQDBHUUKMPLK-MRXNPFEDSA-N 394.450 3.521 0 40 GHAB COC(=O)c1ccc(C)c(NC(=S)NCCCN2c3ccccc3C[C@H]2C)c1 260742619 XQFUTTJJSJRDTI-MRXNPFEDSA-N 397.544 3.909 0 40 GHAB CC[C@H](C)[C@H](CO)NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 606440438 MOTAEKAMWPOIPK-BUXKBTBVSA-N 399.487 3.920 0 40 GHAB biogenic C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCN(CC2CC2)c2ccccc21 1642184812 XSSBNXMNYDTZPV-INIZCTEOSA-N 399.485 3.749 0 40 GHAB Cn1ncc(NC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1-c1ccccc1 654083796 WSHLERMEEKRVTN-ZFWWWQNUSA-N 382.386 3.709 0 40 GHAB COCC1(C2CCC2)CN(C(=O)N[C@@H]2CCc3c(Br)cccc32)C1 663955786 UXHDVKQIDJPDQU-QGZVFWFLSA-N 393.325 3.895 0 40 GHAB COc1cccc(Nc2ccc(NC(=O)N3CCO[C@@](C)(C(F)F)C3)nc2)c1 667993930 PPVILJLWNVKMPN-LJQANCHMSA-N 392.406 3.722 0 40 GHAB COC(=O)[C@H](OC(=O)c1ccc2nc(N)sc2c1)c1ccccc1Cl 54373560 YUVBXRYASWJPSF-CQSZACIVSA-N 376.821 3.603 0 40 GHAB C[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 12391577 UGDHDHOGAXGOAZ-IAGOWNOFSA-N 387.487 3.795 0 40 GHAB CC(C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 12526004 OMLHABHEUAENQB-UHFFFAOYSA-N 382.432 3.542 0 40 GHAB Cc1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c2c(C)noc2n1 14372719 OLUYVVDTABJSTK-UHFFFAOYSA-N 386.839 3.582 0 40 GHAB Cc1ccc(NCc2c(-c3ccccc3)nn(C)c2C)cc1S(=O)(=O)N(C)C 19715894 KQURGBRWNDYFFL-UHFFFAOYSA-N 398.532 3.566 0 40 GHAB Cc1ccc(-n2ncc3c(=O)n(-c4ccc(CN5CCCC5)cc4)c(C)nc32)cc1 19908736 RKUOSBHBZPSPDU-UHFFFAOYSA-N 399.498 3.784 0 40 GHAB Cc1nccn1CC1(O)CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)CC1 12143532 AWCJDBITUCXTAD-UHFFFAOYSA-N 393.462 3.665 0 40 GHAB C/C=C(/C)C(=O)O[C@@H](C)[C@@H](OC(=O)/C(C)=C\C)c1cc(OC)c2c(c1)OCO2 14589646 YIFLQBNCXIFWEL-WGCFIGPNSA-N 390.432 3.872 0 40 GHAB biogenic,in-vitro CC(=O)N(c1nc(CSc2nnnn2C)cs1)c1c(C)cc(C)cc1C 6643462 OJRHOAIRHJZZBN-UHFFFAOYSA-N 388.522 3.569 0 40 GHAB Cc1noc(C)c1CSCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 27998778 LFAPUFIXTSCLJU-UHFFFAOYSA-N 384.505 3.807 0 40 GHAB O=C(c1ccc(F)c(Cl)c1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037913085 PZACPRNERYACDC-LJQANCHMSA-N 381.806 3.664 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H]2CCN(Cc3ccsc3)C2)c1C 1565523765 VBYKXMBQTGTHAV-SFHVURJKSA-N 378.563 3.535 0 40 GHAB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccccc3)C[C@H]21 810605 CRAYIXYYUPZUNM-HXUWFJFHSA-N 391.471 3.577 0 40 GHAB C[C@@H]1CCCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)C1 2723392 DYEOGTSJCKEJBO-GFCCVEGCSA-N 395.575 3.802 0 40 GHAB COc1ccc(SCCCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 15822879 KTDGXNJMFKCCMR-UHFFFAOYSA-N 390.530 3.855 0 40 GHAB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2cccc(Cl)c2)NC(=S)N1 17243065 UQGCHFQFJOZBGR-MRXNPFEDSA-N 375.856 3.911 0 40 GHAB O=C(CSc1ncnc2c1[nH]c1ccc(F)cc12)Nc1ccc2c(c1)OCO2 33172701 NGAWXEVZVJZYAD-UHFFFAOYSA-N 396.403 3.710 0 40 GHAB O=C(c1ccc2cc[nH]c2c1)N1CC[C@@H](Oc2ccc(Br)cn2)C1 238955751 XXWUUEVBOMUPLB-OAHLLOKOSA-N 386.249 3.619 0 40 GHAB Cc1ccc2nc(COC(=O)[C@@H](C)Sc3ccc(Cl)cc3)cc(=O)n2c1 7466046 JWBYRJLVHPMUAU-CYBMUJFWSA-N 388.876 3.880 0 40 GHAB Cc1ccc(OCCN(C)C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc1 40104612 HZCBLFFVDCKHSR-UHFFFAOYSA-N 392.463 3.526 0 40 GHAB CCCCOc1cc(C)ccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 11565853 VXRUNCQGARHMGJ-UHFFFAOYSA-N 388.533 3.685 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C[C@H]1CCCO1)Nc1ccccc1Cl 1364637 LLCYDHOCYMKUJV-CYBMUJFWSA-N 392.912 3.719 0 40 GHAB C[C@@H]1CCc2c(sc3nc(SCC(=O)N4CCCC[C@H]4C)[nH]c(=O)c23)C1 1368073 MGFJCJMAVFTRFN-VXGBXAGGSA-N 391.562 3.603 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1 2618988 QPZWNGJXBFLCGS-UHFFFAOYSA-N 393.516 3.789 0 40 GHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1cnn(Cc2ccccc2)c1 32768711 YHTHUNRJPIUJFH-UHFFFAOYSA-N 384.819 3.713 0 40 GHAB CC(C)c1ccc(-c2nnc(NC(=O)CCNC(=O)c3ccco3)s2)cc1 8073928 FBAYXXLSHIBKQH-UHFFFAOYSA-N 384.461 3.680 0 40 GHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccccc1 2632681 MIOCYUQPRAJHOV-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB CON(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(C(C)(C)C)cc2C)c1 8040026 IIYCOIYDDQJEFQ-UHFFFAOYSA-N 391.489 3.694 0 40 GHAB O=C(CSCC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccco1)Nc1ccccc1 59461545 TZRLBMOUNPNAHH-VQIMIIECSA-N 386.517 3.869 0 40 GHAB CC(C)N(C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 12284637 VRGJDSYWDHBWIU-LJQANCHMSA-N 379.504 3.779 0 40 GHAB C[C@@H]1CN(CCCNC(=O)c2cc3c(s2)-c2ccccc2CC3)C[C@@H](C)O1 23509017 VUTXEHARMAKYLU-HZPDHXFCSA-N 384.545 3.743 0 40 GHAB Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)cc1 23761074 GJQOQVWCWYGRKO-UHFFFAOYSA-N 393.443 3.590 0 40 GHAB COCCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1Cl 47708934 HVWXZZVWKAOBMU-LBPRGKRZSA-N 379.844 3.500 0 40 GHAB NNc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 1245528 DWFJYNDNNLLGNQ-UHFFFAOYSA-N 376.460 3.595 0 40 GHAB COc1ccc([C@@H](CNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)N2CCCCC2)cc1 110516174 MNUGDEHINUOVDO-XIGKFDRGSA-N 387.593 3.875 0 40 GHAB CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccc(OCCc2ccccc2)cc1 101709760 HRDDIXTYMWWPKU-GOSISDBHSA-N 377.440 3.501 0 40 GHAB O=C(COc1cccc(Oc2ccccn2)c1)NCCCOc1ccccc1 12544998 FNAPPZHHYIMASM-UHFFFAOYSA-N 378.428 3.838 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(-n2cncn2)c(F)c1 56085286 QZPAACHHWTYRIC-UHFFFAOYSA-N 377.379 3.633 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 113941669 XWBIDBQFVFJPNJ-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB CCc1noc(C)c1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 8981923 QEPXSAPBVYPLOS-UHFFFAOYSA-N 382.489 3.813 0 40 GHAB CCC(=O)N1CCc2cc(C(=O)N[C@@H]3CCCC[C@@H]3OC3CCCC3)ccc21 89941727 WUUHYKBBTDLTIJ-CTNGQTDRSA-N 384.520 3.986 0 40 GHAB COCCOc1ccc(NC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cn1 57507591 OXUFUYRNIQYFLW-ZDUSSCGKSA-N 386.477 3.941 0 40 GHAB C[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 173275968 MGJKONGAAPFJMB-INIZCTEOSA-N 386.517 3.571 0 40 GHAB COc1ccc(-c2nc(CSCC(=O)N3CCCC3)cs2)cc1OC 45023542 CIFNYKQTNIWYLF-UHFFFAOYSA-N 378.519 3.683 0 40 GHAB CSc1ncc(C(=O)NC[C@H]2COc3ccccc3C2)n1-c1ccccc1 28075344 YXSGDKGSPGXZSG-HNNXBMFYSA-N 379.485 3.575 0 40 GHAB O=C(Cn1nnc2ccccc21)Nc1ccc(Br)c(C(F)(F)F)c1 21896280 AHUUZKYGZIOXCP-UHFFFAOYSA-N 399.170 3.851 0 40 GHAB O=C(CN1C(=O)COc2ccccc21)N(Cc1cccs1)Cc1cccs1 24465472 ZNQINLKBHLHMIO-UHFFFAOYSA-N 398.509 3.764 0 40 GHAB O=C(COC(=O)c1ccc(Br)o1)c1ccc(OC(F)F)cc1 3332815 MFHOOESIAWNKQH-UHFFFAOYSA-N 375.121 3.683 0 40 GHAB O=C(NCC(F)(F)F)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 48250006 UXESTRVKJQUFEZ-UHFFFAOYSA-N 388.345 3.965 0 40 GHAB CN(C)[C@H](CNC(=O)c1cc(Br)ccc1F)c1cccc(F)c1 12772051 FDNIYOPLCXAWKU-MRXNPFEDSA-N 383.236 3.760 0 40 GHAB CCc1sc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 12852446 VEEKHLZKHNAQTM-UHFFFAOYSA-N 378.519 3.656 0 40 GHAB O=C1OC(c2cccc(OC(F)F)c2)=N/C1=C\c1cnn(-c2ccccc2)c1 12919689 IBHZEWJLMWVELV-MFOYZWKCSA-N 381.338 3.818 0 40 GHAB Cc1cc(=O)n2c3ccccc3nc2n1CC(=O)c1ccc(Br)cc1 13636998 HWPTXPHEOSWKRO-UHFFFAOYSA-N 396.244 3.603 0 40 GHAB CCN1CCn2c(nc3cc(NC(=O)c4cccc(Br)c4)ccc32)C1 13723702 HQWOZXMSTNQQDI-UHFFFAOYSA-N 399.292 3.887 0 40 GHAB Cc1sc2[nH]c(SCC(=O)NCCC3=CCCCC3)nc(=O)c2c1C 5266955 OQEYQQZRCASKOK-UHFFFAOYSA-N 377.535 3.700 0 40 GHAB COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3cccnc3)C[C@H]21 5297693 QOAXLBFJIDGZTP-HXUWFJFHSA-N 392.503 3.834 0 40 GHAB O=C(c1c2c(nc3ccccc13)CCC2)N1CCN(c2ccccc2F)CC1 5347020 VCGJTODZRXYLGZ-UHFFFAOYSA-N 375.447 3.825 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 14169079 QRTILNXYJMEWQI-OAHLLOKOSA-N 394.496 3.788 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C 4548454 IVGLRGXWOFFNLF-UHFFFAOYSA-N 392.839 3.600 0 40 GHAB CCOc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OC(F)F 6510021 XVUUBYOHFSXPEK-UHFFFAOYSA-N 394.393 3.788 0 40 GHAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 6657739 YCAMLOZMANFENF-UHFFFAOYSA-N 398.422 3.594 0 40 GHAB CCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1 67298470 OMGBXSKIOXZIQM-VWOFGYOZSA-N 392.455 3.842 0 40 GHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc2c(c1)OCO2 15640456 HPXQTJIOUZPBCW-UHFFFAOYSA-N 375.306 3.872 0 40 GHAB Cc1ccc(CNC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)cc1 7737846 QKXISMKOTHXSLB-UHFFFAOYSA-N 387.435 3.927 0 40 GHAB CCn1c(S[C@@H](C(N)=O)C(C)(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 97082082 NDPVMVVXIIQRMU-HZMBPMFUSA-N 393.578 3.595 0 40 GHAB O=C(COC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccccc1 9590917 KDWLAEKNFIPCFW-ZDUSSCGKSA-N 392.238 3.772 0 40 GHAB CCN(CC)[C@H](C(=O)NCCC(=O)OC(C)C)c1cccc(C(F)(F)F)c1 72284278 DSQQLVOKPHPMSX-KRWDZBQOSA-N 388.430 3.546 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1 79047661 PHBGBWXRXABOFV-UHFFFAOYSA-N 399.472 3.808 0 40 GHAB O=C(Nc1cccc(CCN2CCCC2)c1)c1ncccc1OCC(F)(F)F 95455893 FDVUKAQSXIEXAY-UHFFFAOYSA-N 393.409 3.913 0 40 GHAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCOCC2)cc1OC 95472142 BFQILWFITLEQMR-KRWDZBQOSA-N 389.477 3.844 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1NC(C)=O 408559418 WYGZVEQWCABNHW-UHFFFAOYSA-N 384.457 3.998 0 40 GHAB Cc1csc(Sc2ccc(NC(=O)[C@@]34CCC(=O)N3CCS4)cc2)n1 520374456 TWYMOUFCACZYDF-KRWDZBQOSA-N 391.543 3.607 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)COc2c[nH]c(C)cc2=O)c2ccccc12 524735642 PCSJYWHBGWOULB-LJQANCHMSA-N 392.455 3.588 0 40 GHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(F)c2)c(F)c1F 408628754 XBDKGYZUNXRENY-UHFFFAOYSA-N 376.306 3.518 0 40 GHAB Cc1csc(NC2CCN(C(=O)[C@@H](C)[C@@H]3OCCc4sccc43)CC2)n1 519439071 DFQKQNJNYYNFPO-GUYCJALGSA-N 391.562 3.866 0 40 GHAB O=C(Cn1ccccc1=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 32797019 JIVLQYIQIALFQT-UHFFFAOYSA-N 386.810 3.859 0 40 GHAB CCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2)C1=O 214647135 IVHZXEVQQPUECO-SFQUDFHCSA-N 382.441 3.760 0 40 GHAB COc1ccc(Oc2cncc(C3CCN(C(=O)c4ccccn4)CC3)n2)cc1 72362272 LDOBCXVJJWGWKT-UHFFFAOYSA-N 390.443 3.692 0 40 GHAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)ccc1Cl 223897733 XGXBILYHZPGBMX-UHFFFAOYSA-N 395.908 3.903 0 40 GHAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NCc3ccccn3)n2)cc1 225200503 LMYRIESWFLIIOP-UHFFFAOYSA-N 394.504 3.809 0 40 GHAB COC(=O)c1ccc(Cn2c(C)cc(=O)c3cc(Br)ccc32)o1 40175609 FOFWJZNWFYOSBD-UHFFFAOYSA-N 376.206 3.500 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl 225183051 VUQGRYPZVLPVCB-ZDUSSCGKSA-N 395.286 3.536 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 222518064 KDQWYSDKDATRND-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB CC(C)Sc1nnc(NC(=O)COc2ccc(Br)cc2)s1 223832320 WIGMPPBTHHOJRK-UHFFFAOYSA-N 388.312 3.819 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1C 222898478 IBCVUIAUDARWRV-QFIPXVFZSA-N 396.531 3.878 0 40 GHAB COc1ccccc1NC(=O)CS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 60928898 XNNWIMRORRDJDQ-UHFFFAOYSA-N 375.490 3.650 0 40 GHAB COc1cccc(-n2ccc(=O)c(-c3nc(-c4ccc(F)c(Cl)c4)no3)n2)c1 49006377 FPXDRRUULVZEPQ-UHFFFAOYSA-N 398.781 3.751 0 40 GHAB Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O 224875665 RHNFQHPGQVDJOP-MSOLQXFVSA-N 384.892 3.956 0 40 GHAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)c(I)c1 225013013 XTXXQLAGXFGYNZ-UHFFFAOYSA-N 381.169 3.581 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 225583014 UEXXMWFJKXTAJQ-SFHVURJKSA-N 388.581 3.754 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 224764672 AQGHXBSEMJPJBO-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB Cc1cc(C)cc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225691878 XVRCFVWCTNJHJK-HXUWFJFHSA-N 396.531 3.667 0 40 GHAB CC(C)C[C@H](NC(=O)c1cc(-c2cccs2)nn1C)c1nnc2ccccn12 96116914 QLKRPXIZACFBCK-HNNXBMFYSA-N 394.504 3.709 0 40 GHAB C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1[C@H](C(=O)O)c1cccnc1 629379898 ZEWCUGDDRDLEQI-PVUWLOKVSA-N 375.266 3.848 0 40 GHAB COC(=O)c1ccc(C(=O)NCc2nn(C3CCCC3)c3c2CCCC3)cc1 96099224 HAGAIJLQIUZNDB-UHFFFAOYSA-N 381.476 3.594 0 40 GHAB Cc1cc(C)c2nc(O)c(CNC[C@H](O)COc3ccc(Cl)cc3)cc2c1 585285175 OUXKNILAJWEONG-SFHVURJKSA-N 386.879 3.740 0 40 GHAB Cc1ncc(CN2CCC[C@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)s1 585099821 CXXBJXFPLIGIFK-FQEVSTJZSA-N 388.537 3.604 0 40 GHAB CCc1cc(NCCC(=O)N2CCc3sccc3C2)nc(-c2ccncc2)n1 68695450 BUTRMCQLOBBHKU-UHFFFAOYSA-N 393.516 3.549 0 40 GHAB CCOc1ccc(C[C@H](C)CNS(=O)(=O)c2cccc(Cl)c2O)cc1 1664302212 KKCFLENFZBCWRL-ZDUSSCGKSA-N 383.897 3.601 0 40 GHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(I)cc1 5944695 BDGMCDGILXNUFO-UHFFFAOYSA-N 381.257 3.990 0 40 GHAB C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CCOC)C1=O 8104445 JPSUJRSLMYZSHB-GXDHUFHOSA-N 398.278 3.697 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)cc2n1 12258008 UUPAQOYORPEIRX-KBPBESRZSA-N 378.398 3.729 0 40 GHAB O=C(CCC1CCCC1)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 12406917 FHRHQCITXSBJKT-AWEZNQCLSA-N 377.439 3.738 0 40 GHAB CSCC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1nnc2ccccn12 15972107 JCASVMVMTHVTKS-GOSISDBHSA-N 393.516 3.754 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccco3)c2)cc1 17791319 ARPDLYAJCPRXFV-UHFFFAOYSA-N 384.457 3.661 0 40 GHAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)C1CCCC1)Cc1ccccc1O2 19016313 DRXXIVKIOMBFKM-UHFFFAOYSA-N 384.520 3.758 0 40 GHAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccn2)C1)c1cccs1 19401613 MQAGNCNAZRSNQH-DYESRHJHSA-N 392.528 3.921 0 40 GHAB COc1ccc(CN2CCC(c3nc(O)cc(-c4cccnc4)n3)CC2)cc1 19555042 CSDWDNVRVHQUQD-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB Cc1ccc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)cc1N1CCCC1 19664005 IJDCPSSYOYUKBE-NRFANRHFSA-N 379.504 3.812 0 40 GHAB CC(C)N(C(=O)CN1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O)C(C)C 6327458 AWJZLYPWJVJVQY-NVNXTCNLSA-N 396.896 3.727 0 40 GHAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 245026691 NGVIPEXSSHYSRO-UHOFOFEASA-N 391.817 3.744 0 40 GHAB COc1ccc(C(=O)N2CC[C@@H](Oc3ccc4ccccc4n3)C2)c(OC)c1 245070556 QOUJZSMPDAZVEE-QGZVFWFLSA-N 378.428 3.546 0 40 GHAB Cc1cccc2sc(N(CCN(C)C)C(=O)CCOc3ccccc3)nc12 4359227 JMYMDJVSVWZUDU-UHFFFAOYSA-N 383.517 3.968 0 40 GHAB O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(c1ccccc1)c1ccccc1 4497436 MDDKIBQLDFNFAT-FQEVSTJZSA-N 388.442 3.879 0 40 GHAB COc1cccc(N2C[C@H](NC(=O)Nc3cccc4ccccc34)CC2=O)c1 5189732 HUFNFYHDVLELIL-MRXNPFEDSA-N 375.428 3.775 0 40 GHAB CCc1ccc(N2C(=O)N(c3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 6168781 SOQSIENAPBFTEU-QZTJIDSGSA-N 390.892 3.515 0 40 GHAB CCOc1ccc(N2C[C@@H](CNC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 9039454 MGRJYDOOEQJGJO-CQSZACIVSA-N 387.867 3.913 0 40 GHAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1cccs1)Nc1ccccc1F 101114010 ZUHYIXXFLFZYCP-HKOYGPOVSA-N 394.431 3.711 0 40 GHAB O=S(=O)(c1ccc2nncn2c1)N(Cc1cccc(Cl)c1)c1ccccc1 49408206 KCGLCLMAEBMMAS-UHFFFAOYSA-N 398.875 3.778 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)ccc1O 35592599 UQWYDZCIYINORK-UHFFFAOYSA-N 392.658 3.618 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 40042663 CIHWLVPPSWDIDW-HKUYNNGSSA-N 382.460 3.504 0 40 GHAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccnn1Cc1ccc(Cl)cc1 40131690 OGTHBJZZZUJQKW-UHFFFAOYSA-N 391.862 3.952 0 40 GHAB C[C@@H](NC(=O)CCC(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1 40156680 VKESIQWBCZQCRE-GFCCVEGCSA-N 378.444 3.569 0 40 GHAB O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc(N2CCOCC2)cn1 30975234 ZHHVOLOHOAXNPR-UHFFFAOYSA-N 397.862 3.742 0 40 GHAB Cc1ccc([C@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 101299780 TZLGMUVPUDBUIN-LJQANCHMSA-N 388.427 3.736 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 32147252 FGVYIDJETXUNNR-YOEHRIQHSA-N 392.546 3.786 0 40 GHAB COc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1Br 11566470 VTTJBLWCMFLAMC-UHFFFAOYSA-N 378.332 3.951 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1)c1cc2ccccc2o1 20722622 VJEKFJXUGFWYKO-SFHVURJKSA-N 385.423 3.808 0 40 GHAB O=C(O)[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc12)N1CCSCC1 20744704 APZQEAIFVRLAEH-FQEVSTJZSA-N 382.485 3.921 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc1 894309 LZUWPPPTTVJEJE-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB COc1ccc(CC(=O)Nc2nc(CN3CCCCCC3)cs2)cc1OC 29636025 BPBKKIYNYVELLT-UHFFFAOYSA-N 389.521 3.718 0 40 GHAB COc1ccc(NC(=S)NN2C(=O)CS[C@@H]2c2c[nH]c3ccccc23)cc1 1087397 JSDMNVUXWIYLFO-GOSISDBHSA-N 398.513 3.652 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 40930014 KAKXRCMQNKIJCC-APWZRJJASA-N 382.508 3.644 0 40 GHAB COC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 60387745 DACVRVGZWGQNPZ-XAUMDUMWSA-N 386.517 3.692 0 40 GHAB COc1ccc([C@H]2OC[C@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@@H]23)cc1OC 3996195 PEUUVVGQIVMSAW-AHWCRGGASA-N 386.444 3.796 0 40 GHAB COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@@](=O)C3)c1 4106126 GFNYUMVPSKLPNT-MUUNZHRXSA-N 395.484 3.512 0 40 GHAB C[C@H](C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)n1nnc(-c2cccc(F)c2)n1 32887830 DYBXNHXGRHSAJT-CYBMUJFWSA-N 395.438 3.908 0 40 GHAB COC(=O)c1ccoc1COC(=O)c1cc(Cl)c(OC(C)C)c(OC)c1 32894866 XQCMWQDWUHQWAF-UHFFFAOYSA-N 382.796 3.872 0 40 GHAB CCN(CC)C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)[C@H](COC)OC 4792382 SWYKAZJQKQLLEF-VXKWHMMOSA-N 399.531 3.734 0 40 GHAB COc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1Br 6276211 VUBMGAGHEAALBT-UHFFFAOYSA-N 379.279 3.893 0 40 GHAB O=C(CSc1nc2ccccc2s1)NC(=O)c1ccc(OC(F)F)cc1 2623585 YORQUKSRZOEEOJ-UHFFFAOYSA-N 394.424 3.946 0 40 GHAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1 6880494 ZMWBFNQGIWYSNM-UHFFFAOYSA-N 398.484 3.546 0 40 GHAB CCC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 6944653 MOZXLGKDFHTBAO-MRXNPFEDSA-N 380.554 3.535 0 40 GHAB CCOC(=O)COc1ccccc1/C=C(\Sc1nc2ccccc2o1)C(=O)O 7603092 JCDYVYJIYOMWGN-BOPFTXTBSA-N 399.424 3.988 0 40 GHAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(C#N)cc2)C1=O 8571316 XQDPDBPBRVFALM-LICLKQGHSA-N 377.425 3.542 0 40 GHAB COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 32910432 RWGMKRXBRIEBQR-RYUDHWBXSA-N 385.441 3.556 0 40 GHAB CCN1CCN(c2ccc(NC(=O)CN3CCC[C@H]3c3cccs3)cc2)CC1 8165679 KGIDAMYGLXBYLK-FQEVSTJZSA-N 398.576 3.666 0 40 GHAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1nc(-c2ccccc2)cs1 22801698 FLOLYZSBRQMSEF-UHFFFAOYSA-N 392.528 3.566 0 40 GHAB O=C(c1ccccc1)[C@H](CN1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 55107240 MKFUMTCGXFPFOF-IBGZPJMESA-N 391.920 3.851 0 40 GHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1 47589474 HPUVLOYKCNEXID-ACJLOTCBSA-N 393.915 3.949 0 40 GHAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2ccsc2)CC1 23873136 PVKRIAYWMXSBFX-UHFFFAOYSA-N 390.508 3.937 0 40 GHAB Cc1cc(CNC[C@@H]2COc3ccccc3O2)c(C)n1-c1ccnn1C(C)C 24773562 FUNRWGKTSMWJQF-LJQANCHMSA-N 380.492 3.801 0 40 GHAB CCn1cc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)c2ccccc21 56467670 QHKNIVSQYLQUON-UHFFFAOYSA-N 381.501 3.757 0 40 GHAB CCOc1ccc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)cc1 10119861 UOGDVNPYXZTIGC-UHFFFAOYSA-N 395.444 3.512 0 40 GHAB O=C(CN1CCn2cccc2[C@H]1c1ccccc1)N1CCc2sccc2C1 57991773 GMARUQHYELRWFL-JOCHJYFZSA-N 377.513 3.540 0 40 GHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12613595 FGADEGOURGBPEL-QGZVFWFLSA-N 396.535 3.537 0 40 GHAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc(-n2cncn2)cc1 58063304 TUNBEZZDAQZYKS-UHFFFAOYSA-N 389.390 3.524 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 20483089 DYFBZPZEUVYVLD-KBXCAEBGSA-N 394.924 3.762 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(-n2cnc3ccccc3c2=O)cc1 58152273 RMYWQTANDWLSAE-NRFANRHFSA-N 397.434 3.639 0 40 GHAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(F)cc2)sc2c1CCCC2 408705594 JFIFRJUNNDWHNL-NSHDSACASA-N 377.437 3.959 0 40 GHAB Cc1nc(S(=O)(=O)Cc2noc(CC(C)C)n2)n(C2CCCCC2)c1C 58406911 AHOCTRNRFHYTEM-UHFFFAOYSA-N 380.514 3.561 0 40 GHAB CC(C)c1csc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)n1 36391055 XXQJMGHXNCLWTK-UHFFFAOYSA-N 387.505 3.523 0 40 GHAB COc1ccccc1N(CCC(N)=O)C(=O)Cc1coc2cc(C)c(C)cc12 12774941 HSVCWDYECYXFGZ-UHFFFAOYSA-N 380.444 3.509 0 40 GHAB O=S(=O)(Cc1csc(-c2ccccc2)n1)c1nccn1-c1ccccc1 48364293 HCQAMFTYVISAPY-UHFFFAOYSA-N 381.482 3.970 0 40 GHAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(Br)cc2F)c1 12905994 QGWUGJCZMVFBPR-UHFFFAOYSA-N 377.213 3.733 0 40 GHAB O=C(/C=C/c1cccc2cccnc12)OCc1cc(=O)n2cc(Cl)ccc2n1 12974835 IIMCHBWBVWXGKO-RMKNXTFCSA-N 391.814 3.653 0 40 GHAB O=C(/C=C/c1ccccc1)NCCC(=O)NCC1(c2ccccc2)CCCC1 12920753 MMTGEEHEYQKZCC-BUHFOSPRSA-N 376.500 3.834 0 40 GHAB Cc1cccc(NC(=O)CN(C)C(=O)COCc2nc3ccccc3s2)c1C 12930276 BEJPIINOPWSLKO-UHFFFAOYSA-N 397.500 3.527 0 40 GHAB Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(C)c(C(=O)O)c3)cc2)cs1 13032144 GNPGMIAOCXXCEW-UHFFFAOYSA-N 388.470 3.926 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NCc1ccccc1Cl 8319160 WDTQTOVKSIBRGV-SFHVURJKSA-N 386.879 3.565 0 40 GHAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 25364058 JCMQLVIUOYAENW-INIZCTEOSA-N 391.374 3.793 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)COC2 64380610 ZBKDORPTAUQSTF-UHFFFAOYSA-N 379.243 3.734 0 40 GHAB CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1C(=O)Nc1ccccc1 64872021 IWDBYGKOGWISGH-UHFFFAOYSA-N 390.461 3.965 0 40 GHAB Cc1cccc(NC(=O)/C=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)c1 409171537 DEGRICFNEOQOCO-OUKQBFOZSA-N 396.468 3.718 0 40 GHAB O=C(COc1ncnc2ccc(Br)cc12)Nc1ccc(F)cc1 6881729 LDDNXITXBUJNDU-UHFFFAOYSA-N 376.185 3.549 0 40 GHAB CSc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 408605623 NDZOBLIGAPBPFW-UHFFFAOYSA-N 378.519 3.656 0 40 GHAB Cc1c(-c2nsc(NC(=O)c3ccccc3)n2)nnn1-c1cc(F)ccc1F 6914382 ATXJLVPFLAEETC-UHFFFAOYSA-N 398.398 3.625 0 40 GHAB CC(=O)Nc1cccc(C(=O)N(C)CC(=O)Nc2cccc3ccccc23)c1 8706053 JRNNAHYCOXXIOO-UHFFFAOYSA-N 375.428 3.509 0 40 GHAB O=C(/C=C/c1ccc(OC(F)F)cc1)O[C@H](C(=O)NC1CC1)c1ccccc1 7114041 VCGJJVPKSYZLIN-CWRQFWGNSA-N 387.382 3.864 0 40 GHAB O=C(COc1ccc(F)cc1Cl)Nc1cc(Cl)ccc1-n1cncn1 7107668 DZRWRSGOXMSFIA-UHFFFAOYSA-N 381.194 3.731 0 40 GHAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3nnc(C4CC4)o3)c2C)cc1 7289775 KWQUUHGLEZOYDE-UHFFFAOYSA-N 383.477 3.789 0 40 GHAB C[C@@H](C(=O)N[C@H](C)c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O 7407763 LCMDOFQHCFWCPP-MNOVXSKESA-N 391.254 3.855 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)N2CC=C(c3ccccc3)CC2)n1C 7693233 ZAPOQNHJDQJOBI-UHFFFAOYSA-N 394.500 3.792 0 40 GHAB COc1ccc(Cc2nc3c4c(C)c(C)n(-c5cccc(C)n5)c4ncn3n2)cc1 8993462 SOIQPMMUWBZILJ-UHFFFAOYSA-N 398.470 3.988 0 40 GHAB COc1cc2nc(SCc3ccc(C(C)(C)C)cc3)n(N)c(=O)c2cc1OC 71768849 WLSYNJHVQUUXLI-UHFFFAOYSA-N 399.516 3.717 0 40 GHAB CC(C)c1n[nH]c(-c2nn3c(-c4cccnc4)nnc3s2)c1Br 72403005 ARTSPLWWJMOJBG-UHFFFAOYSA-N 390.270 3.524 0 40 GHAB O=C(CCCOc1ccccc1Cl)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 95432782 UFIAQFWZJKXLOZ-QAPCUYQASA-N 390.911 3.501 0 40 GHAB Cn1cc(-c2csc(NC(=O)c3ccccc3NCc3cccnc3)n2)cn1 95964305 OSJZIGUYIZRVOA-UHFFFAOYSA-N 390.472 3.803 0 40 GHAB CC(C)(C)NC(=O)CC1(C(=O)OCC(=O)c2ccc(Cl)cc2)CCCC1 22747136 FKHOERRDNLNGAE-UHFFFAOYSA-N 379.884 3.931 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2cccc(Br)c2)cc1OC 408597421 ZECQYPRJYCMAOG-UHFFFAOYSA-N 395.278 3.593 0 40 GHAB Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O 529088320 BDGIVKLHCXGYLM-UHMYUZELSA-N 387.480 3.713 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H](c3nnc(Cc4ccc(F)cc4)o3)C2)cc1 35596886 WYFKYRQODABPMN-QGZVFWFLSA-N 395.434 3.828 0 40 GHAB CCOC(=O)c1cccc(NC(=O)c2nc3ccccc3nc2N2CCCC2)c1 32642875 JYSBQXYYYAYOMQ-UHFFFAOYSA-N 390.443 3.659 0 40 GHAB Cc1nn(COc2cccc(F)c2)c(C)c1NS(=O)(=O)c1ccc(F)cc1 32501699 JHWVMUZPPFMKCZ-UHFFFAOYSA-N 393.415 3.615 0 40 GHAB CC(=O)Nc1nc2c(s1)CN(C(=O)Nc1ccccc1C(F)(F)F)CC2 70638396 OGLHFMSDKRPGPO-UHFFFAOYSA-N 384.383 3.711 0 40 GHAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1Cc1cn(C)nc1C 72370354 AKSFPIFOUDXTAP-INIZCTEOSA-N 382.533 3.510 0 40 GHAB CCc1cccc(CC)c1NC(=O)COC(=O)CCC(=O)NC1CCCCC1 138707317 MXGNWCDBYADOEP-UHFFFAOYSA-N 388.508 3.522 0 40 GHAB CCCNC(=S)Nc1nc(N2C[C@@H](C)C[C@@H](C)C2)cc(C(F)(F)F)n1 225886998 GXCKOMYCCGPJHH-PHIMTYICSA-N 375.464 3.674 0 40 GHAB COc1cccc(CN(C(=O)Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 223059536 KJFLNPHHPAJOHK-SFHVURJKSA-N 396.531 3.878 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 225100901 JQVQSLDDTFOHHF-HXUWFJFHSA-N 386.467 3.538 0 40 GHAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1 225425246 LGKDIUUOHXNTSY-QFIPXVFZSA-N 380.532 3.995 0 40 GHAB COc1cc(C(=O)NCc2cn3cc(Cl)ccc3n2)ccc1OC(F)F 41789362 QBNVRMRKXBJNPY-UHFFFAOYSA-N 381.766 3.528 0 40 GHAB O=C1CCCN1c1cccc(NC(=S)NC2(c3ccccn3)CCCC2)c1 225870532 GIGUTRXUDWJMFA-UHFFFAOYSA-N 380.517 3.964 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 224579284 UFJQTDRMXQZOEX-QFIPXVFZSA-N 396.531 3.880 0 40 GHAB O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1ccc(Cn2cccn2)cc1 48064559 BISIGLCCYUDZAG-UHFFFAOYSA-N 389.377 3.689 0 40 GHAB COc1cc(CNC(=O)c2ccc(Cn3ccnc3C)cc2)ccc1OC(C)C 44905322 VVWOLNSFSFLLMW-UHFFFAOYSA-N 393.487 3.966 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 225253673 AACJCOFACUOLGA-FQEVSTJZSA-N 386.467 3.538 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1ccc(OC)cc1)S(C)(=O)=O 220636894 MXJURYRPUKOGPX-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](O)c1csc2ccccc12 225696268 BVHVVDLRMPFXPN-INIZCTEOSA-N 391.514 3.539 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cc(C)c1Cl 41014627 RUAZLHMGMPPGGD-CYBMUJFWSA-N 388.851 3.718 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)nc(N2CCCCCC2)n1 44170300 YPJCKPIWKJQHLP-UHFFFAOYSA-N 392.862 3.975 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(C)c(C)c2)ccc1Cl 223536317 QSWGYDHTXYZZQR-CYBMUJFWSA-N 381.881 3.783 0 40 GHAB COc1cc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)cc(OC)c1OC 226268546 XUWGDILALPNGCL-CQSZACIVSA-N 399.491 3.926 0 40 GHAB O=C(Cc1ccccc1F)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CCCCC2)C1 20868414 IYBKJQHSBFIAFZ-CTNGQTDRSA-N 384.495 3.708 0 40 GHAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4ncccc4C)C3)o2)cc1 257232121 GJMQHHFPNCJMNP-GOSISDBHSA-N 391.471 3.997 0 40 GHAB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)Cc4ccccc4)cc3)C(=O)[C@H]2C1 251754798 JXAHSHSWTHRZOW-YSGRDPCXSA-N 377.440 3.760 0 40 GHAB Cn1cc(CN2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)cn1 257295996 RAUARHFYNYWFBS-AZUAARDMSA-N 387.911 3.968 0 40 GHAB Cc1nc([C@H]2CCN(C(C)C)C2)nc2c1CCC(=O)N2CCc1ccccc1F 257273271 NFXKCDOPWYSNED-SFHVURJKSA-N 396.510 3.644 0 40 GHAB Cc1ccc(CN(c2ccc(C(=O)N[C@H](C)C(C)C)cc2)S(C)(=O)=O)cc1 260902839 WLQJCCDGKMOVTO-QGZVFWFLSA-N 388.533 3.736 0 40 GHAB CO[C@H](C(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(F)cc1 624532619 WJPHCGNJOPOMLM-SFHVURJKSA-N 376.815 3.932 0 40 GHAB Cn1c(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)nc2cc(F)ccc21 625905593 ZTXDGHDNZNFUAB-UHFFFAOYSA-N 381.333 3.516 0 40 GHAB COc1cc(C)ccc1CN1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615158206 QQKSOVMKYVGBIK-QHCPKHFHSA-N 398.478 3.541 0 40 GHAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1I 832217 LWIAXCXDZRPJAE-ZROIWOOFSA-N 393.155 3.775 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NCc1cc(-c2cccs2)nn1C 1775966408 BTMICCWSDNUHAQ-UHFFFAOYSA-N 381.910 3.589 0 40 GHAB O=C1C2=N[C@@H]3C(c4ccccc4)=NN=C(c4ccccc4)[C@@H]3N=C2c2ccccc21 5682154 MDOFTYIVXZNKGC-XZOQPEGZSA-N 388.430 3.771 0 40 GHAB O=C(c1ccco1)c1noc(-c2ccccc2)c1S(=O)(=O)c1ccccc1 5685006 SQSWBPCBJHEDAW-UHFFFAOYSA-N 379.393 3.998 0 40 GHAB CC[C@H]1Oc2nc3ccccc3cc2CN(Cc2ccc3c(c2)OCO3)C1=O 12115625 CQGANJHVNYGTHA-GOSISDBHSA-N 376.412 3.663 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(C(=O)c4ccc(C)s4)[C@H]23)cc1 19216946 QFTXIQFGYLAUHM-SFHLNBCPSA-N 398.528 3.684 0 40 GHAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)CC)C1 19498473 ZPVXBCIEAJXBOS-QHCPKHFHSA-N 382.479 3.800 0 40 GHAB COc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)cc1 19553102 ILHIZTOGUBOPLC-SFHVURJKSA-N 395.484 3.874 0 40 GHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)n1 19572802 WBQMYNLZCBQABA-PKOBYXMFSA-N 391.519 3.988 0 40 GHAB CC(=O)N1CC[C@@H]2[C@H]1CCCCN2Cc1c(C)nn(-c2ccccc2C)c1C 19712527 DBGIWASDSLORSO-DHIUTWEWSA-N 380.536 3.773 0 40 GHAB Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1NC(=O)c1ccccc1 8334439 FBNLHFMGUKXXKW-BOPFTXTBSA-N 383.473 3.934 0 40 GHAB CC(C)CC(=O)O[C@H](COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O 5360178 AEXJMQYVIPHZDJ-OAHLLOKOSA-N 388.416 3.647 0 40 GHAB endogenous,in-man Cc1cc(C(=O)N(C)Cc2nc(N(C)C)ncc2-c2onc(C)c2C)sc1C 19124652 MPPQMURHMXGOGA-UHFFFAOYSA-N 399.520 3.765 0 40 GHAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1cccc2ncccc12 2651998 ITYMWNIBRDALBY-UHFFFAOYSA-N 386.407 3.847 0 40 GHAB Cc1cnc(C)c(OC2CCN(c3ncnc4sc5c(c34)CCC5)CC2)n1 2087045474 DCVACZUULYDLGQ-UHFFFAOYSA-N 381.505 3.635 0 40 GHAB Cc1cccc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)c1 4304340 ZZNMUVFLEDMQMW-UHFFFAOYSA-N 390.439 3.528 0 40 GHAB COc1ccc(-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)nn1 5204188 ANRXTFVAFSZMFO-UHFFFAOYSA-N 375.837 3.606 0 40 GHAB CCOc1ccc(Nc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 9208785 MKGPSVWDOGMIBN-UHFFFAOYSA-N 397.456 3.944 0 40 GHAB Cc1cnc2c(c1SCc1ccc(Cl)cc1Cl)c(=O)n(C)c(=O)n2C 10216558 QGZVRBKIOZFSHF-UHFFFAOYSA-N 396.299 3.540 0 40 GHAB Cc1cccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c1C 22732435 KGHORRGZSLSSKK-INIZCTEOSA-N 392.546 3.937 0 40 GHAB Cc1cc(OC[C@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)ccn1 1775970137 CQFIDICSUAKDQL-SFHVURJKSA-N 376.460 3.507 0 40 GHAB Cc1nn(CCNC(=O)Cc2ccc(F)cc2F)c(C)c1-c1cccs1 575613080 UQLSHMNJWIUFQV-UHFFFAOYSA-N 375.444 3.866 0 40 GHAB O=C1CN(C2CCN(c3ccnc4ccccc34)CC2)C(=O)N1c1ccccc1 2298134472 PKVNLVZGMPCRSF-UHFFFAOYSA-N 386.455 3.672 0 40 GHAB COc1cccc2sc(N3CCC[C@H](C(=O)N4CCC(F)(F)CC4)C3)nc12 2298218141 HVWOFRUXADOYCG-ZDUSSCGKSA-N 395.475 3.779 0 40 GHAB Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 40143758 QVTHFDLCVAGZOE-INIZCTEOSA-N 393.487 3.781 0 40 GHAB CCOc1ccc(CN(C)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 40104387 CAAXMNHOAIVFJT-UHFFFAOYSA-N 392.463 3.738 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 20627764 QPESDZAFOWCEBN-GFCCVEGCSA-N 381.234 3.802 0 40 GHAB O=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 20628003 PXXRMJSOPPFNLF-GFCCVEGCSA-N 381.234 3.802 0 40 GHAB C[C@@H](NC(=O)Cc1csc(-c2ccco2)n1)c1ccc2c(c1)CCC(=O)N2 45981863 ULIUJHWZKGSLLI-GFCCVEGCSA-N 381.457 3.708 0 40 GHAB CN(C)C(=O)[C@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 7805884 OSMVGOAFVJDPKW-OAQYLSRUSA-N 389.455 3.736 0 40 GHAB Cc1cccc(OCc2nnc(SCc3cc(=O)n4ccc(C)cc4n3)o2)c1 20895288 GWKBRNZIZOOZRZ-UHFFFAOYSA-N 394.456 3.566 0 40 GHAB CC(C)c1nc2cc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)ccc2o1 46393577 PPPZEJXWCJWYIS-UHFFFAOYSA-N 379.416 3.853 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(C)cc3)n2N)cc1 3271196 YOUNQXSZDVZDBD-AWEZNQCLSA-N 381.505 3.649 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3cccc(OC)c3)C2)cc1 4981644 SJPSYWJHCCPMPW-HNNXBMFYSA-N 383.448 3.586 0 40 GHAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 32889209 WVKIYFGFCGRWMN-VQIMIIECSA-N 396.487 3.746 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1 6426756 DVIRPQCPXUUEQR-CQSZACIVSA-N 380.897 3.750 0 40 GHAB CCCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(C)c1 6629011 PQSKCIHVOLKJQE-UHFFFAOYSA-N 381.505 3.646 0 40 GHAB COc1ccc(Br)c(C(=O)OCC(=O)c2cc(F)ccc2OC)c1 7203523 PVYXUNJSDRKOGT-UHFFFAOYSA-N 397.196 3.645 0 40 GHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2F)CC1 7381834 MNTVGTGJEBEHCV-IBGZPJMESA-N 376.859 3.985 0 40 GHAB CCOCc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OC 7849551 CELNMAANIWYYHS-UHFFFAOYSA-N 382.504 3.811 0 40 GHAB CCc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 7940019 DCHKMANXXMJKGU-UHFFFAOYSA-N 394.349 3.545 0 40 GHAB CC(C)NC(=O)NCc1ccc(C(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 29885066 WYAHIKCPLHHICR-KXBFYZLASA-N 383.492 3.883 0 40 GHAB COc1ccc(C[C@@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1 8115210 RYMJTZONXDRWTJ-KRWDZBQOSA-N 375.421 3.650 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(F)cc3)C(=O)[C@H]2C1 8472843 JGZARESEVFCGGX-AEFFLSMTSA-N 378.403 3.924 0 40 GHAB C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)c1c[nH]c2ccccc12 9546771 BHCGMKMQUQGFLY-RYUDHWBXSA-N 388.518 3.974 0 40 GHAB CCc1ccc(Cn2nccc2NC(=O)C[C@@H](NC(C)=O)c2cccs2)cc1 22281478 CRPLQQFUHPVJMJ-GOSISDBHSA-N 396.516 3.761 0 40 GHAB Cc1oc(-c2cccs2)nc1C(=O)N[C@H](c1nnc2ccccn12)C(C)C 84052966 XGYOBFMDDUOZKM-HNNXBMFYSA-N 381.461 3.881 0 40 GHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2c3c(cccc13)CC2 22411371 NCPWFGWTSIOZCK-UHFFFAOYSA-N 378.516 3.703 0 40 GHAB COc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c(OC)cc1Cl 815507 SLFWIKUXBNLAGX-ZDUSSCGKSA-N 388.851 3.657 0 40 GHAB Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)Nc2nnc(C3CC3)s2)o1 28226874 KVRHBOOQBCHFNY-UHFFFAOYSA-N 397.382 3.833 0 40 GHAB CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccc(OC)c(C(=O)OC)c1 43079436 SYTRXIHQVAQOQH-INIZCTEOSA-N 388.489 3.762 0 40 GHAB CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccccc1 20798672 NCTBQHZAUNAAJV-LJQANCHMSA-N 392.455 3.511 0 40 GHAB Cc1ccc(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)c(C(C)(C)C)c1 26781105 XNYWUQYZSONDEQ-JOCHJYFZSA-N 396.575 3.850 0 40 GHAB CCc1c(C(=O)Nc2cccc(CN(C)C(C)=O)c2)cnn1-c1ccc(F)cc1 25963044 CZBZZBOTSORMOC-UHFFFAOYSA-N 394.450 3.804 0 40 GHAB CC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[nH]c1=O)c1cccc(Cl)c1 56762234 WABDVPVRQRUXNR-GOSISDBHSA-N 396.878 3.604 0 40 GHAB CCOc1ccc(NC(=S)N[C@H](NC(=O)CC)C(Cl)(Cl)Cl)cc1 1787030 JULCQOBRZWZJMK-LBPRGKRZSA-N 398.743 3.594 0 40 GHAB COc1cccc(N2CCN(CC(=O)Nc3cccc(Cl)c3Cl)CC2)c1 57450647 QGYICMJWWFFNQJ-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB Cc1ccc(OCCC(=O)O[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 8008485 TZKHHRIDLSXGPU-CYBMUJFWSA-N 386.473 3.983 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 27382227 HTVVIGQPOGFJBI-WBVHZDCISA-N 399.491 3.933 0 40 GHAB COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1 20274721 PSTQVKSJHAXVTH-UHFFFAOYSA-N 382.441 3.574 0 40 GHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)OCc1nc(-c2ccccc2)no1 27420935 MMHIZCCFGVQKBH-UHFFFAOYSA-N 394.362 3.602 0 40 GHAB CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 27663970 JFSUGJQUEDGOTI-QRVBRYPASA-N 393.524 3.580 0 40 GHAB O=C(Nc1cccc(NC(=O)N2CCC[C@H](N3CCCC3)C2)c1)c1ccco1 58216483 PHOSBJPNQCMYAI-SFHVURJKSA-N 382.464 3.624 0 40 GHAB CCO[C@@H](C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)c1ccccc1 58357910 ONZNEYRETNSYJS-HSZRJFAPSA-N 394.515 3.504 0 40 GHAB Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ncn(C)c2Cl)cc1 27970763 DHRJTKDYEFRFAC-UHFFFAOYSA-N 375.881 3.777 0 40 GHAB Cc1ccccc1CC(=O)N1CC[C@@]2(C1)Cn1c(-c3ccccc3)cnc1CO2 306142514 XBKYXWCJFVBSQI-XMMPIXPASA-N 387.483 3.603 0 40 GHAB O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@H]1c1nnc2ccccn12 12896997 JRJMEJXXFRTDAX-HNNXBMFYSA-N 375.259 3.942 0 40 GHAB CCc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1 12856436 LYKSEDJKRDJEGJ-UHFFFAOYSA-N 378.519 3.737 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1C 3479143 GIZDGZJXEWTGIA-UHFFFAOYSA-N 398.484 3.733 0 40 GHAB Cc1cc(F)ccc1NS(=O)(=O)c1c(F)cc(F)cc1Br 12999255 LISBRBWRNAQBPO-UHFFFAOYSA-N 380.185 3.976 0 40 GHAB O=C(CCc1nc2ccccc2s1)NCc1ccccc1Cn1cccn1 12903440 VDNLTSKBCUPDNP-UHFFFAOYSA-N 376.485 3.790 0 40 GHAB C[C@](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)(C(=O)O)c1ccccc1 12972014 BVKNNPHVIDDDMS-HSZRJFAPSA-N 394.471 3.730 0 40 GHAB CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)cc1 8338641 KYQBGRCZOIWXDQ-FQEVSTJZSA-N 377.440 3.855 0 40 GHAB Cc1ccn2c(=O)cc(COc3ccccc3C(=O)NCc3ccccc3)nc2c1 14086535 FNDHEXKQCDHZSK-UHFFFAOYSA-N 399.450 3.512 0 40 GHAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(F)cc2)no1 5322713 ATJATURUGYCNQY-GOSISDBHSA-N 376.343 3.978 0 40 GHAB COc1ccc(CCNCc2cc(Cl)c3c(c2)OCCCO3)cc1OC 17310921 SDHDCOMXQFDEIX-UHFFFAOYSA-N 377.868 3.851 0 40 GHAB C[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@H](C)O1 17324766 IJDGOKJRTGWZHX-BQBZGAKWSA-N 383.105 3.523 0 40 GHAB COc1ccc(-c2noc(COC(=O)C3(c4ccccc4)CC3)n2)cc1OC 8573368 LQDCTYLVMQXIKH-UHFFFAOYSA-N 380.400 3.529 0 40 GHAB CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCc3ccncc3)c12 6659495 OBVGDWKDFUSXCK-MRXNPFEDSA-N 394.471 3.923 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)Nc1cccc(C)n1 4710087 FUMAAMYSXDSVJI-UHFFFAOYSA-N 391.427 3.912 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)no1 18120145 IPAUEJZBRLETFH-UHFFFAOYSA-N 379.132 3.782 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)ccc21 14896701 BTOCCAXWFYLSKN-UHFFFAOYSA-N 386.835 3.663 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cccc(C)c1)S2 6811872 WTLXBHKSQBMABK-RTBURBONSA-N 393.516 3.855 0 40 GHAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(N2CCOCC2)cc1 4901679 BXWCOTKPKUXLSL-UHFFFAOYSA-N 379.485 3.828 0 40 GHAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(Br)cc2F)CC1=O 4975556 SILDVPXXLQUWBC-GFCCVEGCSA-N 391.240 3.888 0 40 GHAB Cc1ccc2c(CC(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)coc2c1 6947057 HHHKXQVIMCGBBR-CQSZACIVSA-N 395.411 3.625 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3Cl)c2C)cc1C 67322229 BDVHOUQLVOFOPC-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB COC(=O)c1ccccc1Nc1c(-c2ccc(O)c(OC)c2)nc2ncccn12 15414493 RRSZDGUHEQEYOS-UHFFFAOYSA-N 390.399 3.641 0 40 GHAB Cc1ccc2c(CC(=O)NCc3ccc(CN4CCOCC4)cc3)coc2c1C 18217107 CXDKTLQFGJFRDL-UHFFFAOYSA-N 392.499 3.741 0 40 GHAB Cc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)c1C 7283232 YLXLJNBRFCHTFM-NHYWBVRUSA-N 392.521 3.565 0 40 GHAB COc1ccc(-c2csc(NC(=O)[C@]3(C)Cc4ccccc4C(=O)O3)n2)cc1 7400631 UHXJIHQGGDIXOF-NRFANRHFSA-N 394.452 3.929 0 40 GHAB O=C(CCNC(=O)c1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 7688560 WTDSHBAIJROWMQ-UHFFFAOYSA-N 387.411 3.847 0 40 GHAB CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@H]1c1c(OCC)ccc2ccccc12 9296400 VIYPOKCPAZAHKP-SFHVURJKSA-N 393.443 3.528 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)N[C@H](c1ccc(F)cc1)c1cccs1 9499076 CFLQLANBBJQCEN-OAQYLSRUSA-N 393.443 3.503 0 40 GHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 20493626 AOTBZGWCXKEZBH-MECCDNJOSA-N 382.479 3.841 0 40 GHAB Cc1noc(CCNc2nc(CN(C)C)nc3scc(-c4ccccc4)c23)n1 95938943 RGSQPDNWBHVEMY-UHFFFAOYSA-N 394.504 3.766 0 40 GHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 89800369 UEJJXTMDLWOAQV-UHFFFAOYSA-N 392.308 3.855 0 40 GHAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(CC(=O)O)cc1 20152285 SYXMRVNVCXWMPK-UHFFFAOYSA-N 394.452 3.602 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(-n3cc(Br)cn3)cc2)cc1 28247309 GSFKKKCSCYXBFW-UHFFFAOYSA-N 386.249 3.825 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 30062929 ZNBBVBVLJHUHFO-UHFFFAOYSA-N 398.528 3.681 0 40 GHAB COc1ccc2c(c1)cc(C(=O)N[C@H]1CCc3cc(OC)c(OC)cc31)n2C 524732330 LXIXDGORQBHTCO-KRWDZBQOSA-N 380.444 3.621 0 40 GHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OCC)cc2)ccc1Cl 38753716 FMPSIUKYYRHRCM-UHFFFAOYSA-N 383.853 3.716 0 40 GHAB Cc1c(NC(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)nnn1C 565999425 UXGTVGUGGHEGHN-CQSZACIVSA-N 397.401 3.526 0 40 GHAB Cc1ccc(-n2c(C)nc3nc(N4CCC(C)CC4)[nH]c(=O)c3c2=S)c(C)c1 40386883 HDNNEYSWBFQHSA-UHFFFAOYSA-N 395.532 4.000 0 40 GHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 223492630 IKWZCVXPNKCDJC-OAQYLSRUSA-N 398.572 3.906 0 40 GHAB O=C(CCn1nc(-c2cccc(Cl)c2)ccc1=O)NCCC1=CCCCC1 41253617 TTYMGGJLQZTQKH-UHFFFAOYSA-N 385.895 3.961 0 40 GHAB CC[C@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccc2c(c1)CCCC2 223054402 ALMSFXRISISYTD-IBGZPJMESA-N 386.517 3.818 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)cc1 223593398 RYJKIHYVGCTDLI-INIZCTEOSA-N 388.895 3.581 0 40 GHAB Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)N(C)C)c2ccccc2O3)o1 96053153 ZAMBCTNNYUNRQH-SFHVURJKSA-N 382.504 3.967 0 40 GHAB Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1F 98212930 NGTYZAZLRWKTFU-UHFFFAOYSA-N 378.451 3.923 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 95482386 IAFAEWQEMRQANM-IBGZPJMESA-N 395.459 3.836 0 40 GHAB COCCN1CC2(CCC1=O)CCN(Cc1cccc(Cl)c1Cl)CC2 91441593 YDOANCKDEPYNOE-UHFFFAOYSA-N 385.335 3.844 0 40 GHAB COc1cccc(C(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)c1 257260593 LDMWXTFTKNUZFH-SPEDKVCISA-N 381.520 3.929 0 40 GHAB Cc1noc(C)c1-c1cc(CC2CCN(C(=O)c3cccc(F)c3)CC2)ncn1 257230369 GBZZQWOZXXPVAJ-UHFFFAOYSA-N 394.450 3.982 0 40 GHAB Cc1cc(Nc2cc(C)nc(CC3CCN(C(=O)OC(C)(C)C)CC3)n2)[nH]n1 257238208 HJZMXQNLPGKYRF-UHFFFAOYSA-N 386.500 3.750 0 40 GHAB CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CNC(=O)c2ccccc21 627837245 HPRDJLNQEIWBRT-SFHVURJKSA-N 390.405 3.624 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccc([C@H](O)c2cccs2)s1 90613681 YJFXNWWMROEBDJ-QGZVFWFLSA-N 397.518 3.817 0 40 GHAB Cn1cc(-c2ncccc2NC(=O)N2CCc3ccccc3C(C)(C)C2)cn1 666845467 NWWCQAIJZLPFQJ-UHFFFAOYSA-N 375.476 3.850 0 40 GHAB CCOc1ccc(NC(=O)N[C@@H](CC)c2ccccc2OCC(=O)NC)c(C)c1 48144572 CDOZOLCOIVVYPE-SFHVURJKSA-N 399.491 3.791 0 40 GHAB CCN1CCC(n2nccc2NC(=O)c2oc3c(OC)cccc3c2C)CC1 66662942 IUKBWIHNPGLERG-UHFFFAOYSA-N 382.464 3.855 0 40 GHAB CC(=O)NCc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)s1 67057664 QHGPNIZISKJKNR-UHFFFAOYSA-N 376.526 3.886 0 40 GHAB CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)n2)c1 67167198 MIFOZNBTIUHQFF-UHFFFAOYSA-N 392.786 3.800 0 40 GHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102151419 WLRKQGSQHHILMT-LVFSCSRESA-N 381.472 3.946 0 40 GHAB O=C(Cc1ccsc1)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1 12145192 VVLNDKUITGHUDE-MRXNPFEDSA-N 399.541 3.515 0 40 GHAB COc1ccc(/C=C2\N=C3SCN(c4ccccc4F)CN3C2=O)cc1OC 12324515 QQGIRWQOQHZVCA-DHDCSXOGSA-N 399.447 3.550 0 40 GHAB O=C(Nc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1)c1ccccc1 12814469 RNDPCIIMAAFKJN-HSZRJFAPSA-N 399.494 3.943 0 40 GHAB Cc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)c1 13368475 BXSRSXHZESEFRB-UHFFFAOYSA-N 389.411 3.736 0 40 GHAB O=C([C@@H]1CN(C(=O)/C=C/c2ccsc2)c2ccccc2O1)N1CCCCC1 14168259 ATTIBZRYMNMQFS-SGQUHAKNSA-N 382.485 3.568 0 40 GHAB Cn1ccc(C(=O)N2[C@H]3CC[C@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)n1 19290847 JIQHICKMYATYOC-HACGYAERSA-N 379.382 3.511 0 40 GHAB CC(C)c1[nH]c2ncccc2c1CN1CCN(C(=O)c2ccccc2F)CC1 19451516 NNLNFJQKVHXEKW-UHFFFAOYSA-N 380.467 3.783 0 40 GHAB CC(C)c1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 19454058 LRGAVFMOTZRCKH-INIZCTEOSA-N 395.532 3.791 0 40 GHAB C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)Cc1ccccc1F 19575464 IJLJFIWSTZOFOT-GFCCVEGCSA-N 379.357 3.942 0 40 GHAB O=C(CCN1CC=C(c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 26920673 HWEDNSBTUACBCT-UHFFFAOYSA-N 393.506 3.654 0 40 GHAB Cc1cccc(Cn2nccc2NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 30527045 KFCNNBUVXPNBRV-UHFFFAOYSA-N 388.471 3.548 0 40 GHAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2cnn(-c3ccccn3)c2C(C)C)c1 30835951 XLTOMJMKJWHYDJ-HNNXBMFYSA-N 391.475 3.840 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037911998 BAJUWFFFYSSDJF-QFIPXVFZSA-N 382.435 3.743 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2ccc(Br)s2)nc1C 2474340 UAADQTJCWDXXIU-UHFFFAOYSA-N 375.269 3.705 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2cnc3ccccc3n2)C1 9319824 HEGYCXMUDVHSQA-ICSRJNTNSA-N 388.515 3.984 0 40 GHAB CCOc1cccc2cc(-c3nc(-c4ccc(OC)cc4OC)no3)c(=O)oc12 9431166 SSEBRYGJXBJDEY-UHFFFAOYSA-N 394.383 3.926 0 40 GHAB Cc1ccc(-c2cc(=O)n(CC(=O)Nc3nc4ccc(C)cc4s3)cn2)cc1 13806965 HYPCRUMCOPBCAO-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB CN(C)[C@@H](CNC(=O)c1ccc(Br)o1)c1cc2ccccc2o1 575619290 CUYVYOANNISINK-LBPRGKRZSA-N 377.238 3.821 0 40 GHAB Fc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)n2nnnc2N3)c1 10336897 RUFASFSNAVDXJN-LEWJYISDSA-N 398.401 3.767 0 40 GHAB Cc1ccccc1NC(=S)N[C@@H](C)[C@@H](c1cccs1)N1CCOCC1 23182178 GAZVSJWYGOUUHF-YJBOKZPZSA-N 375.563 3.805 0 40 GHAB COc1ccc(C)cc1NC(=O)COC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 10948201 HHXRHRCXBIPMFN-SQGPQFPESA-N 391.508 3.963 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@@H]2CS[C@@H](c3cccc4[nH]ccc34)N2)c(C)c1 13573182 UXVQGPJZEIUESL-FPOVZHCZSA-N 394.496 3.914 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCC2)cc1 10429466 OWZZHSJZVSSKSQ-HXUWFJFHSA-N 383.467 3.819 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc2c1O[C@H](C)[C@H]2C 40009576 LKOAPALNYSFBNE-VXGBXAGGSA-N 385.416 3.627 0 40 GHAB CN(C)c1ccc(CCCNC(=O)c2cc3sc(N(C)C)nc3s2)cc1 40155444 YTOMRGGUTSSJPY-UHFFFAOYSA-N 388.562 3.852 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)c1C 31200959 WBRZUBCVGVVOLM-UHFFFAOYSA-N 381.520 3.996 0 40 GHAB COc1ccccc1-n1cnc2cc(C(=O)Nc3cccc(F)c3)ccc2c1=O 32095193 TVNWEBZQOADDQL-UHFFFAOYSA-N 389.386 3.786 0 40 GHAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccccc3Br)cnc21 32098006 RYDPZGCZDGBUIA-UHFFFAOYSA-N 395.282 3.576 0 40 GHAB Cn1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1cccc(F)c1 2523710 WUNCRWKLPZAWAH-UHFFFAOYSA-N 378.379 3.630 0 40 GHAB COc1ccc2cc(C)c3nnc(SCC(=O)N4CCCCCC4)n3c2c1 928468 MXBMZROGSKRKBT-UHFFFAOYSA-N 384.505 3.694 0 40 GHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1nn(-c2ccccc2F)c(C)cc1=O 32781372 GDLOMEPKODHGEI-MRXNPFEDSA-N 397.475 3.891 0 40 GHAB O=C(Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1Cl)c1cccs1 4755370 TXBZTQFGDQJAOS-YNHQPCIGSA-N 398.871 3.965 0 40 GHAB COc1ccc(CC(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1OC 6587889 AYSRQSAAFAJBRI-VDZJLULYSA-N 392.492 3.794 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680459 JMMXQHWATHQHSV-UHFFFAOYSA-N 384.910 3.828 0 40 GHAB O=C(C1CC1)N1CCC(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 29846554 BTFKUTKHGZBFAF-QHCPKHFHSA-N 388.511 3.809 0 40 GHAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(F)c1 8023307 QRHHSPRSXKMYQX-GOSISDBHSA-N 387.407 3.812 0 40 GHAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1 8433638 AWHCKGJTIFQRJJ-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB CCSc1ncc(Br)c(C(=O)Nc2ccc(OC)cc2OC)n1 27743143 RTTUPDKUIBPXOQ-UHFFFAOYSA-N 398.282 3.621 0 40 GHAB CC(C)COc1cccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 9710099 AJWOAMLDQWPJKE-UHFFFAOYSA-N 377.448 3.962 0 40 GHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)n2ncnc2N1 645533 YPJHHUFRILSHMQ-KRWDZBQOSA-N 383.814 3.998 0 40 GHAB CN(Cc1csc2ccccc12)C(=O)CN1C(=O)CSc2ccccc21 46920647 CTWMHZRQAVCHRR-UHFFFAOYSA-N 382.510 3.999 0 40 GHAB O=C(NCCc1ccc(O)cc1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 103730468 YDJBLEIRXCOAKH-QAQJPARQSA-N 378.310 3.785 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 20492025 UOYCBZPHJQRDLU-NRFANRHFSA-N 396.487 3.572 0 40 GHAB C[C@@H]1CN(Cc2ccccc2NC(=O)N2CCc3ccccc3C2)C[C@@H](C)O1 47569303 FADGCXSBFIJQAM-QZTJIDSGSA-N 379.504 3.886 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C[C@@H](O)COC(C)(C)C)CC2 24600995 KTNAMCPZFFKBAY-XXBNENTESA-N 399.531 3.827 0 40 GHAB CCCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 20140901 GLZNTKRMYFXVCL-JOCHJYFZSA-N 396.583 3.903 0 40 GHAB Cc1ccc(NC(=O)Cc2cccc3ccccc23)cc1S(=O)(=O)N(C)C 12551970 JVSXUAIYXUJMMV-UHFFFAOYSA-N 382.485 3.580 0 40 GHAB Cc1cc(C)cc(Nc2nnc(SCc3ccccc3Cl)n(N)c2=O)c1 28535646 ZUIVGLUFXCOXHW-UHFFFAOYSA-N 387.896 3.658 0 40 GHAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 100439074 ONBUIYNTGMIXGT-LPDIDSCSSA-N 396.512 3.972 0 40 GHAB C[C@H]1Cc2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2N1S(C)(=O)=O 10324166 RVGSGXURLVRDMP-JTQLQIEISA-N 399.299 3.956 0 40 GHAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NC(C)(C)C)cc3C[C@H]2C)cc1 10326418 NWKGGRCEOKONRF-OAHLLOKOSA-N 386.517 3.663 0 40 GHAB CN1CCC(N(C)C[C@@H](NC(=O)c2ccc3c(c2)CCC3)c2ccccc2)CC1 58440019 ITTRPGTWKLSZPM-XMMPIXPASA-N 391.559 3.672 0 40 GHAB Cc1nnc([C@H](C)Sc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)o1 48186679 VFEMXPCKTHTIAW-XHDPSFHLSA-N 389.456 3.808 0 40 GHAB CSc1ncc(Cl)c(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)n1 36390962 JQMXNMKKNXXALU-UHFFFAOYSA-N 376.869 3.761 0 40 GHAB CCOC(=O)c1ccccc1C(=O)c1cccc(I)c1 2392604 QGMNPDGUCSMKHT-UHFFFAOYSA-N 380.181 3.699 0 40 GHAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cc(OC)ccc1OC 2366429 HZNJMBPNMDULHZ-NFQMXDRXSA-N 393.420 3.791 0 40 GHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(F)c1 3341891 HWODJYUJPPHCGU-UHFFFAOYSA-N 388.439 3.712 0 40 GHAB Cc1nc2ccccc2c(=O)n1C[C@H](O)Cn1c2ccccc2c2ccccc21 28920508 QNKGTKNWZLQZTK-KRWDZBQOSA-N 383.451 3.874 0 40 GHAB CCCCN(C)S(=O)(=O)NCc1ccnc(Oc2ccc(C)c(C)c2)c1 48278597 SMAMCCLMRIMDJI-UHFFFAOYSA-N 377.510 3.557 0 40 GHAB CCc1ccc2c(CSc3nc4sccc4c(=O)n3C)cc(=O)oc2c1 36795708 OXOAEDYPNWHVIG-UHFFFAOYSA-N 384.482 3.956 0 40 GHAB Cc1ccc(CNC(=O)NCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 12897724 JDEPWZOZKQXSDO-UHFFFAOYSA-N 394.302 3.760 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)N[C@H](C)c3cc(C)ccc3C)C(=O)[C@H]2C)cc1 12980919 SIIGTEHIMBUZJG-QZTJIDSGSA-N 393.487 3.646 0 40 GHAB O=C(CNC(=O)c1ccc(Cl)cc1)Nc1nc(-c2cccs2)cs1 12942495 NHUCYWUCZSBARB-UHFFFAOYSA-N 377.878 3.894 0 40 GHAB CCCOc1ccc(-c2nc3s/c(=C\C=C\c4ccccc4)c(=O)n3n2)cc1 3636911 XLNCLDQALIZOFL-CAMSTOTOSA-N 389.480 3.820 0 40 GHAB Cc1cccnc1NC(=O)c1cc(=O)c(OCc2cccc(Cl)c2)cn1C 49551020 MXZDYECRWZYJGH-UHFFFAOYSA-N 383.835 3.573 0 40 GHAB Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1Cc1cccs1 4165603 YNMPPRWDPOEBOZ-UHFFFAOYSA-N 378.453 3.694 0 40 GHAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1 13690439 YQFFCQIHRDFTFE-UHFFFAOYSA-N 383.451 3.995 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(F)cc1F 6225083 UZXQBAZNFWAAFT-UHFFFAOYSA-N 395.431 3.783 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1 5237591 IGITWEQCXXPSEB-LLVKDONJSA-N 387.530 3.967 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c1 13944857 FFOIDCUBDOCCIR-MRXNPFEDSA-N 379.435 3.645 0 40 GHAB Cc1ccsc1C(=O)N1CC[C@]2(C1)CN(Cc1cccnc1)c1cccnc12 306131407 KDQYTJRPWJCDKA-QFIPXVFZSA-N 390.512 3.651 0 40 GHAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1 5465832 UJUFAZYNMMOBNN-HNNXBMFYSA-N 391.464 3.918 0 40 GHAB CCOC(=O)c1c(NC(=O)CN2CCC[C@@H]2c2cccn2C)sc(C)c1C 6561655 CRUUJIPDLIMTRC-MRXNPFEDSA-N 389.521 3.656 0 40 GHAB COc1ccc(NC2=N[C@H](c3cccc(Cl)c3)n3c(nc(C)cc3=O)N2)cc1 4736659 SLKAYMYYRRTSQE-SFHVURJKSA-N 395.850 3.654 0 40 GHAB COc1ccc(-c2nnc(SCc3nc(-c4cccs4)no3)n2C)cc1 7171718 ZDSMVUXLOWFULV-UHFFFAOYSA-N 385.474 3.895 0 40 GHAB CCOC(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 7542638 MVBZEJCOKZIJCT-AWEZNQCLSA-N 397.862 3.773 0 40 GHAB COc1ccc(-c2cnc(CN3CCCN(C(=O)OC(C)(C)C)CC3)o2)cc1 68474347 BSFBWPWGJAOBCW-UHFFFAOYSA-N 387.480 3.793 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCSc2ccc(Cl)cc2)c1C 18205483 AAHYHHBDQSCIJW-UHFFFAOYSA-N 380.897 3.984 0 40 GHAB CCOc1nnc(CSc2nc(-c3ccccc3Br)n[nH]2)s1 71849927 VCZLIMUPXUUQKU-UHFFFAOYSA-N 398.311 3.777 0 40 GHAB O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccccc1N1CCCC1=O 9685280 WUZKUOONEPZKAZ-UHFFFAOYSA-N 378.350 3.850 0 40 GHAB O=C(CCCc1nc2ccccc2s1)OCc1ccnc(-n2ccnc2)c1 72314155 YZBOBFYECQFXIG-UHFFFAOYSA-N 378.457 3.943 0 40 GHAB COc1ccc(CNC(=O)Nc2cncc(Br)c2Cl)c(F)c1 95452781 VVFRTRBLQZAODB-UHFFFAOYSA-N 388.624 3.967 0 40 GHAB c1cc(-c2nc(CN3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)no2)co1 95993111 YWGWRRMAPZINLH-HNNXBMFYSA-N 382.468 3.875 0 40 GHAB O=C(NCc1cccc(CN2CCCCCC2)c1)[C@H]1CCCN1c1nccs1 95957355 YOYVFYFTQUXRPE-HXUWFJFHSA-N 398.576 3.804 0 40 GHAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCc2ccc(O)cc2C1 41662200 WWYAMXIWJDUFDD-UHFFFAOYSA-N 384.382 3.843 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc3nc(O)[nH]c3c2)cc1Br 408622621 PSHSIABVPXKMIX-UHFFFAOYSA-N 376.210 3.682 0 40 GHAB CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 23623880 AJPGABAWMACDRU-UHFFFAOYSA-N 384.457 3.573 0 40 GHAB CCCCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NCC)c2)cc1 39986287 RBQZBZUITHHXCP-UHFFFAOYSA-N 390.505 3.588 0 40 GHAB Cc1nc(Cc2ccccc2)sc1C(=O)NCCc1ccc2c(c1)OCO2 32914251 XOMJOAVEUGASCO-UHFFFAOYSA-N 380.469 3.744 0 40 GHAB Cc1c(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)oc2ccc(F)cc12 555318631 ACFHAZNKXXUTEI-IBGZPJMESA-N 396.462 3.901 0 40 GHAB O=C(Cc1ccco1)N1CCC[C@@H](c2nc3ccc(-c4cccs4)cn3n2)C1 306138877 SJXONXUVTWSPOF-MRXNPFEDSA-N 392.484 4.000 0 40 GHAB CC(C)c1nnc2ccc(SCC(=O)Nc3ccc(F)c(Cl)c3)nn12 524732461 FSIMGDLMLLPVCY-UHFFFAOYSA-N 379.848 3.771 0 40 GHAB O=C(c1ccccn1)N1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 72362256 GMSCYIXAVNXYNJ-OAHLLOKOSA-N 378.407 3.823 0 40 GHAB CN(C)c1ccc(C(=O)N2[C@@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)cc1 71980547 QZFJYAAFQPVHOU-ASNBIDDJSA-N 388.508 3.611 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 30862636 BEVGVUPIDPUFEU-SFHVURJKSA-N 399.443 3.673 0 40 GHAB O=C(CCn1ccc2ccc(Cl)cc21)Nc1ccc(Cn2cncn2)cc1 72402042 NHYDCTXSPNQQIR-UHFFFAOYSA-N 379.851 3.963 0 40 GHAB CCN(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 39985566 PMYPESRLONFYDA-UHFFFAOYSA-N 378.469 3.598 0 40 GHAB CN(c1ccc(C(=O)NCC2=CCCCC2)cc1)S(=O)(=O)c1ccccc1 223744782 MJFDTLBCNZGCLZ-UHFFFAOYSA-N 384.501 3.742 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)NCc3ccc(C)cc3)o2)c(OC)c1 224865398 SWEIVTKFHMLVAQ-UHFFFAOYSA-N 380.444 3.916 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 224630574 WFJDKGRYTFIRJA-JOCHJYFZSA-N 396.531 3.953 0 40 GHAB COC(=O)c1cc(NC(=S)N[C@@H](C)COc2ccccc2)ccc1Cl 225783202 FKSPXZPSNMYJLG-LBPRGKRZSA-N 378.881 3.881 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 223637233 SMBWBOSBJCTJDQ-OAHLLOKOSA-N 390.886 3.883 0 40 GHAB Cc1ccc/c(=N/S(=O)(=O)c2cc(C)c(Br)cc2C(C)C)[nH]1 41096176 YISUVUSRQYPHBS-UHFFFAOYSA-N 383.311 3.807 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccccc3)c2)cc1 224276758 HPHCCVNDRMSGKY-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB CC(C)[C@H](C)NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225207368 PWCCAHNSPRVFGB-LBPRGKRZSA-N 395.352 3.700 0 40 GHAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21)NC1CC1 96053000 DMOKQNQUIBKGND-KRWDZBQOSA-N 378.472 3.610 0 40 GHAB CC(C)(C)Cc1nc2cc(NC(=O)N3CCC(n4cnnc4O)CC3)ccc2o1 577876526 DTGSGSJDIWHMCI-UHFFFAOYSA-N 398.467 3.583 0 40 GHAB COCCn1cc(CC(=O)Nc2nc(-c3ccncc3)cs2)c2ccccc21 96223407 QHNUYLHPOQLZGC-UHFFFAOYSA-N 392.484 3.987 0 40 GHAB CCN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)c1cccc(C)c1 96105490 JIRGIZNAWQJSME-UHFFFAOYSA-N 399.535 3.875 0 40 GHAB CCCCC[C@]1(O)CCN(C(=O)c2ccccn2)C[C@@H]1Oc1cccc(F)c1 257212039 CBRCWGSSLYYVBW-UNMCSNQZSA-N 386.467 3.826 0 40 GHAB COc1ccc2c(c1)[C@@H](C(=O)N[C@H](CCC(=O)O)Cc1ccccc1)CCC2 655540825 NMCDLILWJAMUGL-QUCCMNQESA-N 381.472 3.707 0 40 GHAB OC[C@H](N[C@@H]1COC2(CCC2)C1)c1ccc(Br)cc1C(F)(F)F 657999616 KWGBJGNLKJPKTO-FZMZJTMJSA-N 394.231 3.803 0 40 GHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1 665827284 ZKRGABPRSSLVQW-PXNSSMCTSA-N 391.462 3.930 0 40 GHAB CCOc1ccccc1C(=O)N1CCC[C@@]2(CCN2Cc2cnc(C)s2)C1 585101781 GDRIGBGNPMKHSL-OAQYLSRUSA-N 385.533 3.731 0 40 GHAB CCOc1ccccc1NC(=O)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 77197848 YALXMAQIDIWTOM-NSHDSACASA-N 384.358 3.899 0 40 GHAB Cc1ccn(CCC(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)n1 1615160382 QRIFHLCTYKOJDT-XLIONFOSSA-N 384.499 3.627 0 40 GHAB CC(C)(C)CN1CCC[C@H](N2CCO[C@@H](c3c(F)cccc3Cl)C2)C1=O 1559971484 NCYITWDWOZSZFZ-DLBZAZTESA-N 382.907 3.890 0 40 GHAB Cc1cc(S(=O)(=O)NCCCOC2CCCCC2)ccc1Br 15359808 YSBXXZPSBODDAW-UHFFFAOYSA-N 390.343 3.775 0 40 GHAB CCc1cccc(C)c1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 18114326 DHLIZXPYNPIVCI-UHFFFAOYSA-N 380.897 3.616 0 40 GHAB NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)C2CCC2)C1 19331533 KALPGOTYNDQNQJ-QFIPXVFZSA-N 382.529 3.852 0 40 GHAB c1cncc(-c2nc(NCc3ccncc3)ncc2-c2ccc3c(c2)OCO3)c1 19340194 WFYZWWZXAXPCHB-UHFFFAOYSA-N 383.411 3.941 0 40 GHAB Clc1cc2c(cc1CN1CC[C@@H](c3nc(-c4ccncc4)no3)C1)OCO2 19405877 DTIFUGCUOAGPNJ-CYBMUJFWSA-N 384.823 3.503 0 40 GHAB CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)n1 19525815 OHTODUKVRRMLMS-MRXNPFEDSA-N 379.508 3.882 0 40 GHAB CCOc1ccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1OC 19533863 ZLRUIFLWONTSRR-FQEVSTJZSA-N 396.535 3.599 0 40 GHAB O=C(c1cc(-c2cccs2)on1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220764350 XEKNCHDHZHOYTC-GFCCVEGCSA-N 384.461 3.758 0 40 GHAB COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@](C)(C(C)=O)C1 3824069 YTFBNFMILWHYAP-UWJYYQICSA-N 375.465 3.778 0 40 GHAB COCC1(C2CCC2)CN(C(=O)N[C@H]2CCc3c(Br)cccc32)C1 663955784 UXHDVKQIDJPDQU-KRWDZBQOSA-N 393.325 3.895 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OCC 4846270 UWNIBURFDCMRGH-HLLBOEOZSA-N 377.481 3.582 0 40 GHAB CN(Cc1cccs1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 6128886 HGJAYKWVRIUXAO-UHFFFAOYSA-N 384.530 3.957 0 40 GHAB O=C(C1CCN(c2nc(C(F)(F)F)cs2)CC1)N1CCC(F)(F)CC1 1889102940 ISFKCRFLRQXMDW-UHFFFAOYSA-N 383.386 3.636 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(C)n3)cc2)cc1 15952008 IKGRBBKLXYPWHC-UHFFFAOYSA-N 395.484 3.776 0 40 GHAB CCc1ccccc1N1C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)CC1=O 21872791 ZTVMEIVAPLPZBX-MRXNPFEDSA-N 390.405 3.937 0 40 GHAB O=C1COC2(CCN(Cc3ccc(Cl)cc3)CC2)CN1c1ccc(F)cc1 2037841118 WUGWFQYZVQFRFV-UHFFFAOYSA-N 388.870 3.877 0 40 GHAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CCc3ccc(F)cc3)C2)cc1C 2037913195 YPWSTQCQFPVUNM-HSZRJFAPSA-N 385.479 3.808 0 40 GHAB CCCCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 4460834 WCUKQXBTWNWPSN-JFRXWTBNSA-N 385.460 3.885 0 40 GHAB Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C(=O)c2ccccc2)c1 4517872 CSJIBFXYYQPYQN-UHFFFAOYSA-N 393.464 3.882 0 40 GHAB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)C1CCCC1 5136629 QKRCZYKUKGTFBY-UHFFFAOYSA-N 384.501 3.957 0 40 GHAB O=C(C1=COCCO1)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1 5299734 KWZFPQFGGHSVTL-UHFFFAOYSA-N 388.395 3.996 0 40 GHAB CCc1ccccc1NC(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1 11697090 RJYOEUWBRDGWLK-UHFFFAOYSA-N 391.479 3.720 0 40 GHAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(C(C)C)cc3)c2C)n1 16849588 NTZZWZLCLDNWRD-UHFFFAOYSA-N 393.491 3.576 0 40 GHAB COc1cccc2cc(-c3nnc(NC(=O)c4cc(-c5ccco5)on4)o3)oc12 36709528 IXJOJCWHHCUQIY-UHFFFAOYSA-N 392.327 3.992 0 40 GHAB O=C([C@H]1COc2ccccc2O1)N1CCC(Oc2nc3ccccc3s2)CC1 49028619 ZWWQZUACSYMMFP-GOSISDBHSA-N 396.468 3.506 0 40 GHAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)c1ccccc1Br 225581547 FIANHXMXFJASCS-UHFFFAOYSA-N 399.292 3.619 0 40 GHAB O=C(NC[C@@H](OCCO)c1cccs1)NC(c1ccccc1)c1ccccc1 575621526 PCXXHDWTSRSICW-LJQANCHMSA-N 396.512 3.887 0 40 GHAB Cc1ccc(C)c(NC(=S)N[C@@H](C)[C@H](c2ccccc2)N2CCN(C)CC2)c1 22928355 RGRSRLIVBRRLKQ-SIKLNZKXSA-N 396.604 3.967 0 40 GHAB O=S(=O)(Oc1ccc2c(-c3ccccc3)noc2c1)c1cccc2nonc12 32103701 MYMFXNWLPQKLOF-UHFFFAOYSA-N 393.380 3.799 0 40 GHAB CCc1c(C)sc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1C(=O)OC 997635 LQQWJMOEQVITOT-UHFFFAOYSA-N 389.399 3.568 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccco1 1364368 NMPDUTJTWBESOX-UHFFFAOYSA-N 384.461 3.882 0 40 GHAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)C3CCC3)c3nnnn3c12 1376808 CJKKXQRXZCSHCM-UHFFFAOYSA-N 391.500 3.976 0 40 GHAB CCn1c(S)nc2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2c1=O 102167414 LXFGNMWVBJVVEG-KRWDZBQOSA-N 379.485 3.513 0 40 GHAB CC(=O)N(Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2n2nnnc12 4879963 KDFFKGBXVDESEG-UHFFFAOYSA-N 377.423 3.582 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(-c3cccs3)n[nH]2)c1C 6035468 FUPOKLAWBYCZAG-JTQLQIEISA-N 390.490 3.628 0 40 GHAB CSc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCO)cc1 6743385 SGGIXDRZMZZCET-IBGZPJMESA-N 395.480 3.669 0 40 GHAB C[C@@H](C(=O)N1CCCc2ccccc21)N1c2cccc3cccc(c23)S1(=O)=O 10449603 WGEQCJWRNXIHHJ-HNNXBMFYSA-N 392.480 3.716 0 40 GHAB C[C@@H]1CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3ccc(O)cc3)c3cccc1c32 8215640 FHHJIBMLRXMWSM-MCMMXHMISA-N 394.496 3.957 0 40 GHAB O=C(Nc1ccc(Br)cc1F)C1=NN(c2ccccc2)C(=O)CC1 8427846 WRRRYMIRHMUQGB-UHFFFAOYSA-N 390.212 3.710 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N[C@H](C)c2ccc(F)cc2)c1 37210701 ARIWLJUERVTYDY-FOIQADDNSA-N 386.467 3.857 0 40 GHAB Cc1nc(-c2cc(C)n(CC(=O)Nc3ccc(C(N)=O)cc3C)c2C)cs1 41931967 RSGPFMTZZZZZAG-UHFFFAOYSA-N 382.489 3.583 0 40 GHAB C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1 22776657 RUTJTEWLVPBCGN-HNNXBMFYSA-N 377.941 3.571 0 40 GHAB NC(=O)c1cccc(NC(=O)c2cccnc2SCc2ccc(F)cc2)c1 42385666 DICVZDAWFLEVGF-UHFFFAOYSA-N 381.432 3.864 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(OCC(F)(F)F)cc1 23055187 LYKNGINAVZELMC-UHFFFAOYSA-N 381.350 3.605 0 40 GHAB Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)NCc3cccnc3)cc12 12324787 IBPPJGQMOIXIRC-UHFFFAOYSA-N 380.444 3.533 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3ccnc(-n4cncn4)c3)n2)c(C)c1 54673308 TYRQESKRRUZWBM-UHFFFAOYSA-N 376.445 3.655 0 40 GHAB O=C(CCn1cnc2ccccc21)N1CCN(Cc2cccc3ccccc23)CC1 23907505 WGAWUGUHAASGIV-UHFFFAOYSA-N 398.510 3.924 0 40 GHAB Cc1nc(-c2cccc(NC(=O)Cn3nnc(-c4ccccc4C)n3)c2)cs1 42981526 MXCKPJASRZOPIK-UHFFFAOYSA-N 390.472 3.719 0 40 GHAB C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1)n1cncn1 25296172 JHSRERNDXNPFSW-NSHDSACASA-N 387.802 3.523 0 40 GHAB C[C@H](C(=O)Nc1ccc(NC(=O)CCc2ccccc2Cl)cc1)n1cncn1 25294556 RXTMZDBFUKHYIX-CQSZACIVSA-N 397.866 3.703 0 40 GHAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1ccncc1 27921620 TUKJQZNESANQTI-UHFFFAOYSA-N 385.265 3.958 0 40 GHAB C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(-n2ccnc2)cc1 12507771 MLBVTUHAACWSSX-HNNXBMFYSA-N 389.484 3.811 0 40 GHAB O=S(=O)(c1cccc2nsnc12)N1CCC[C@@H]1c1ccccc1Cl 21150954 XMPXGEAATLBQNO-CQSZACIVSA-N 379.894 3.871 0 40 GHAB C[C@H](OC(=O)/C=C/c1ccc(Br)o1)C(=O)N[C@@H]1CCCC[C@@H]1C 107444000 FPNMRCDCKBEDQR-PBPLVEGFSA-N 384.270 3.682 0 40 GHAB Cc1ccccc1[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 20462056 MWBQKGCHKJFEET-OAQYLSRUSA-N 394.496 3.886 0 40 GHAB COc1ccccc1C(=O)NC[C@H]1CC[C@H]([C@@H](NC(C)=O)c2ccccn2)CC1 100750041 VHAYLWBQWGNZCD-KGVIQGDOSA-N 395.503 3.504 0 40 GHAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2c(C)cccc2CC)c1=O 57427225 IHHKFYUVWANHQD-UHFFFAOYSA-N 399.516 3.534 0 40 GHAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4CCCCC4)[C@@H]3C2=O)cc1 101204049 PCPBOQMHDAXSPD-JYBIWHBTSA-N 377.440 3.655 0 40 GHAB CS(=O)(=O)Cc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1 58255148 VVNUPBHTTTZDPV-UHFFFAOYSA-N 380.469 3.909 0 40 GHAB COc1cccc(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)c1 23126358 SWMFVAPFAUTKSP-UHFFFAOYSA-N 391.452 3.772 0 40 GHAB COc1ccccc1C(=O)NCC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 36393957 YTGVYWDEJKIICR-UHFFFAOYSA-N 381.432 3.502 0 40 GHAB CC(=O)Nc1ccc(C(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)s1 10810996 NCYYUIMPCCVEJG-SNVBAGLBSA-N 392.431 3.985 0 40 GHAB O=S(=O)(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(F)cc1F 12652111 XGELNWIVSJSMCW-UHFFFAOYSA-N 395.456 3.976 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1 2453620 PRWCXESKODBLAK-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)C1 3367235 NRXKMDGZQKELTD-IUCAKERBSA-N 379.671 3.703 0 40 GHAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c12 12752251 ZGTWRPASZGHSBQ-UHFFFAOYSA-N 391.412 3.682 0 40 GHAB Cc1ccc(-n2c(SCCCn3cncn3)nnc2-c2ccccn2)c(C)c1 48367717 VZJBNSAEAXENKF-UHFFFAOYSA-N 391.504 3.720 0 40 GHAB Cc1csc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)n1 12873696 CPQXCWPQDSJQPR-UHFFFAOYSA-N 376.441 3.711 0 40 GHAB COc1ccccc1NC(=O)c1ccc(NC(=O)CNCc2cccs2)cc1 13778056 FBVQTVSMVZACDI-UHFFFAOYSA-N 395.484 3.737 0 40 GHAB CN(C(=S)NC[C@@H]1CCCO1)[C@]1(c2ccccc2Cl)CCCCC1=O 5127203 NPBKRIYVMRTXJL-LIRRHRJNSA-N 380.941 3.664 0 40 GHAB Clc1ccc(CN(CCN2CCOCC2)Cc2cccnc2)cc1Cl 22931380 JCUMLSZLIHCNRU-UHFFFAOYSA-N 380.319 3.723 0 40 GHAB O=C(CCn1c(S)nnc1-c1cccs1)Nc1cccc(-c2ccn[nH]2)c1 65591089 XLPVKFWKMREJKY-UHFFFAOYSA-N 396.501 3.714 0 40 GHAB Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 5347767 RJQCATAJEQJNIE-FQEVSTJZSA-N 380.488 3.973 0 40 GHAB CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(F)c2)c(C(F)(F)F)c1 14205405 HQZXXDLUCJTSIJ-UHFFFAOYSA-N 376.331 3.604 0 40 GHAB Cc1ccc([C@@H](CNC(=O)Cc2coc3c(C)c(C)ccc23)N2CCOCC2)o1 14241194 VSLWXBHZSVEGFS-HXUWFJFHSA-N 396.487 3.683 0 40 GHAB Cc1cc(C)cc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)o2)c1 6589115 FVWAWWXKKPKGSD-CYBMUJFWSA-N 396.472 3.572 0 40 GHAB CC(=O)C1=NN(c2ccc(C)cc2)[C@]2(SCC(=O)N2c2ccccc2)S1 4670934 JWGOBKFVRPOTKS-LJQANCHMSA-N 383.498 3.842 0 40 GHAB Cn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccco1 4777230 VKMAYQSWKWAJDF-UHFFFAOYSA-N 397.485 3.929 0 40 GHAB CN(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)c2ccccc2)c1 5958297 GOTGLONCKWTWSH-UHFFFAOYSA-N 394.496 3.784 0 40 GHAB Cc1ccc(N2C(=O)N=C(O)[C@]3(Cc4ccccc4N4CCC[C@@H]43)C2=O)cc1 9009638 PTKLITULSWPWCX-XMSQKQJNSA-N 375.428 3.630 0 40 GHAB CCNc1nnc(SCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)s1 7248812 NEBZDHMSMOMSNE-UHFFFAOYSA-N 398.579 3.669 0 40 GHAB O=c1[nH]nc(SCCOc2ccccc2Cl)n1CCc1ccccc1 7345885 JVTGHQZQBJQABT-UHFFFAOYSA-N 375.881 3.639 0 40 GHAB O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)Nc1ccc(F)cc1F 71327979 JONOOBCBQRTPLK-UHFFFAOYSA-N 397.425 3.895 0 40 GHAB O=C(/C=C/c1ccc2ccccc2n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9218671 ZBZRLLZILVOERD-VAWYXSNFSA-N 398.466 3.755 0 40 GHAB COc1cc(CNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC)c1OC 8361460 GKMRQBPPGRJGRR-UHFFFAOYSA-N 384.259 3.878 0 40 GHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8395373 LUEACHJQODLANV-SFHVURJKSA-N 384.432 3.714 0 40 GHAB Cc1cc(CN(C)c2cn[nH]c(=O)c2Cl)cc(C)c1OCC(F)(F)F 84086243 ZBBUFPVCWWNLAI-UHFFFAOYSA-N 375.778 3.618 0 40 GHAB Cc1cc(C)c2c(c1)N(C(=O)c1cc3c([nH]c1=O)CC(C)(C)CC3=O)CCC2 78910642 GAMBWWIAGAXTIV-UHFFFAOYSA-N 378.472 3.740 0 40 GHAB C[C@H](CCO)C1(CNC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)CCC1 95987380 KLVVJWIFJVOPQU-OAHLLOKOSA-N 375.513 3.525 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 89292001 KUUQYBVOQIETQP-UHFFFAOYSA-N 377.444 3.843 0 40 GHAB C[C@@H](Oc1ccccc1Br)C(=O)NC1CC(C)(C)NC(C)(C)C1 27974881 IGEUFKDJQDDACR-GFCCVEGCSA-N 383.330 3.642 0 40 GHAB O=C(COc1ccc(C2SCCS2)cc1)Nc1cc(C(=O)O)ccc1O 408570447 VFYSHCLELJWRLP-UHFFFAOYSA-N 391.470 3.587 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)N(Cc1ccco1)Cc1cccs1 24460000 GWFADGPQULTRAR-UHFFFAOYSA-N 395.488 3.557 0 40 GHAB O=c1c2cnc(N3CCCCC3)nc2ccn1-c1cccc(OC(F)(F)F)c1 22608843 GSSVQBDODBXHBT-UHFFFAOYSA-N 390.365 3.670 0 40 GHAB CCc1c(C(=O)NCc2ccc3c(c2)OCO3)cnn1-c1cccc(Cl)c1 24478027 QYGZZKNBNPEUKD-UHFFFAOYSA-N 383.835 3.747 0 40 GHAB COc1ccc(CN2CC[C@@]3(C2)CN(Cc2ccccn2)c2cccnc23)cc1 306124718 BXODMCHKGILMOF-XMMPIXPASA-N 386.499 3.649 0 40 GHAB COc1cccc(-c2nnn(CC(=O)Nc3cc(Cl)c4oc(C)cc4c3)n2)c1 35317088 VLVDNRVSBIYVQK-UHFFFAOYSA-N 397.822 3.695 0 40 GHAB O=C(c1ccccc1F)N1CC[C@@]2(C1)Cn1c(-c3ccsc3)cnc1CO2 306126293 DRWKHASDKRDLFL-HXUWFJFHSA-N 383.448 3.566 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1c(-n2cnnn2)sc2c1CCCC2 36358907 BZHBNOYVHZOZHF-UHFFFAOYSA-N 389.868 3.517 0 40 GHAB O=C(Nc1csc(-c2ccc(Br)cc2)n1)N1CCC[C@H]1CCO 529167679 BFKJMYHPFRDHHR-ZDUSSCGKSA-N 396.310 3.951 0 40 GHAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc(OC(F)F)cc1 30177143 TWLDSQQXFMVKSW-INIZCTEOSA-N 376.359 3.658 0 40 GHAB Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1 36661698 QPTNBZCAHXWHBF-UHFFFAOYSA-N 392.499 3.819 0 40 GHAB O=S(=O)(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1ccccc1 36099885 FLPBGIBWPIJEEK-QGZVFWFLSA-N 382.888 3.595 0 40 GHAB CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)c3ccccn3)n2)s1 72375217 AILRJZROVYWZCA-HNNXBMFYSA-N 380.477 3.611 0 40 GHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1ccc(Br)s1 37132507 WCIJPJZSBRLIRF-BMIGLBTASA-N 382.279 3.698 0 40 GHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cn1nc(-c2ccccc2)ccc1=O 48369106 XNXMREXDFUKCDB-UHFFFAOYSA-N 391.515 3.585 0 40 GHAB FC(F)(F)c1nnc2ccc(N3CC4(CCOCC4)[C@@H]3c3ccccc3)nn12 562724636 HXIROFNAJMTIAW-INIZCTEOSA-N 389.381 3.501 0 40 GHAB Cc1ccc(C)c(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c1 44791228 QLYFHLCKIGGDHF-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(CCOC)c1C 222961265 PENQKWHOVZRALS-PMACEKPBSA-N 386.565 3.919 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2c(F)cccc2F)cc1 223047573 GGQSMVUWSOJEEC-UHFFFAOYSA-N 396.459 3.567 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1 224941900 OEAXQAVFVJTVLD-QFIPXVFZSA-N 380.532 3.851 0 40 GHAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1 225006647 TZQILHMXPWDSGD-UHFFFAOYSA-N 393.531 3.682 0 40 GHAB COc1ccc(NC(=O)c2ccc(C)cc2I)cc1OC 225010900 IVAZPIOXICLVGF-UHFFFAOYSA-N 397.212 3.869 0 40 GHAB CC(C)(Cc1ccccc1)NS(=O)(=O)Cc1ccc(Br)cc1 223250296 SUPRYWMQLXJKQF-UHFFFAOYSA-N 382.323 3.890 0 40 GHAB COc1ccc(N(CCCC(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1 222597814 RIMVIUSBERVQFC-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1Cl 222521864 HYCRFPMSTNVDQZ-CYBMUJFWSA-N 395.286 3.536 0 40 GHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225678454 HSLFYBOFHYYRDW-ZDUSSCGKSA-N 399.390 3.612 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 222487254 KUZNIWZJLJDWNT-SFHVURJKSA-N 382.504 3.661 0 40 GHAB COC(=O)c1cccc(NC(=S)NCc2nc(-c3ccccc3C)no2)c1C 225828868 JURFODLDHKFUQS-UHFFFAOYSA-N 396.472 3.627 0 40 GHAB O=C(c1cnc2ccccc2c1)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 96077424 OYMMASUASUFYNJ-QHCPKHFHSA-N 389.430 3.643 0 40 GHAB COc1ccc(C2=NO[C@@](C)(C(=O)NCC(C)(C)c3cccc(F)c3)C2)cc1 141569685 SKTCTNGNNISZBM-JOCHJYFZSA-N 384.451 3.811 0 40 GHAB CCS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1ccc(Cl)cc1Cl 96519904 QUHNAZVAPDPPOJ-UWVGGRQHSA-N 396.517 3.749 0 40 GHAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4F)OCC[C@@]31C2 257290164 QBVJRXBVYFQXFO-WLGVSOJHSA-N 393.474 4.000 0 40 GHAB COc1cccc2c1OC1(CCN(C(=O)c3ccncc3)CC1)[C@H]1CCCO[C@H]21 257285555 PHSBKMSLEAFDMF-AZUAARDMSA-N 394.471 3.625 0 40 GHAB COc1ccc(CNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)cc1 257206813 BEYXYISFZOMVKJ-UHFFFAOYSA-N 375.472 3.749 0 40 GHAB Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCN(C)C)CCOCC3)c2)c1 257292299 QKWFZNYHYJHWQK-UHFFFAOYSA-N 394.559 3.988 0 40 GHAB O=C(N=c1[nH]nc(Cc2ccc(C(F)(F)F)cc2)s1)N1CC(CC2CC2)C1 621474920 VPMNBWWBYIPZAE-UHFFFAOYSA-N 396.438 3.833 0 40 GHAB O=C1CCc2cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)ccc2N1 680425772 OTBVDSHNFZTGKT-HXUWFJFHSA-N 397.906 3.792 0 40 GHAB C[C@@H](c1ccccc1)n1ccc(NC(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)n1 682100637 GBYAKDBXYYENTB-AWEZNQCLSA-N 395.438 3.977 0 40 GHAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc2nccnc2c1 72396287 WUEZKUUSTJRQNE-IBGZPJMESA-N 383.455 3.682 0 40 GHAB COc1ccc(CN2Cc3cc(C)ccc3OC3(CCN(C)CC3)C2)c(OC)c1 72394183 XSABEJYYMLJOHM-UHFFFAOYSA-N 396.531 3.871 0 40 GHAB O=C(c1onc2c1CCCC2)N1CCC(COc2cc(C3CCC3)ncn2)CC1 1565523206 HVZDYSZLKDGERR-UHFFFAOYSA-N 396.491 3.542 0 40 GHAB Cc1ncc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)c(C)n1 1615121494 OFEZNBDSPRYAAJ-QFIPXVFZSA-N 382.483 3.896 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)c(O)n1 1615120109 KPHNPBDBZRLACL-QFIPXVFZSA-N 383.467 3.898 0 40 GHAB Cc1ccc(C)c(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615119468 GVBAXPRSGRRBCU-HSZRJFAPSA-N 382.479 3.841 0 40 GHAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc4c(c3)CC(=O)N4)nnc12 5060077 FXRAXGSEVSJEBQ-ASSNKEHSSA-N 394.500 3.516 0 40 GHAB COc1ccccc1OCC(=O)N1CCC(c2onc3c2C[C@H](C)CC3)CC1 12120322 MCJOLLJVRMBTKB-OAHLLOKOSA-N 384.476 3.593 0 40 GHAB Cc1cc2occ(CC(=O)N[C@H](C)c3nc(-c4cccnc4)n[nH]3)c2cc1C 12191802 WJNRCZHVMYABSN-CQSZACIVSA-N 375.432 3.650 0 40 GHAB Cc1c(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc2n1CCCO 12363539 CHFGHDXIAQBJLM-UHFFFAOYSA-N 396.506 3.955 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)c2ccc(F)cc2)cc1 12802801 RUPKJUDNDHWQEF-FQEVSTJZSA-N 384.451 3.708 0 40 GHAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)c(OC)c1 12938579 CTOKJQUIKGAJJV-OAHLLOKOSA-N 396.487 3.993 0 40 GHAB CC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 12940636 TXJMRHPJUMWZTP-OAHLLOKOSA-N 382.526 3.633 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712074 DGJWKJBQIGKLRK-MRXNPFEDSA-N 396.896 3.532 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1F)N(c1cccc(Cl)c1)S(C)(=O)=O 13712215 YCZULLWXKVYVAI-MRXNPFEDSA-N 384.860 3.662 0 40 GHAB CC[C@H](C(=O)NC(C(C)C)C(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716316 KIHXVROAOBSBNX-GOSISDBHSA-N 382.570 3.645 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)ccc1F 17320507 GPDQUPIIXYWTJT-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)c1 19078595 IZEOZLKQJYVFHR-KBXCAEBGSA-N 399.443 3.564 0 40 GHAB Cc1ccc2oc(C(=O)N3CC[C@@H](c4nnc(-c5cnc(C)cn5)o4)C3)cc2c1 19221272 HACRRRPCNWEMBT-CQSZACIVSA-N 389.415 3.519 0 40 GHAB CCN(Cc1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2F)c1)C(C)=O 158557422 XUIJXRRQOZDKJC-UHFFFAOYSA-N 398.413 3.771 0 40 GHAB Cc1cc(N2CCSCC2)ccc1NC(=O)c1cnn(-c2ccc(F)cc2)n1 152961822 SUBUWLCAAJJFFD-UHFFFAOYSA-N 397.479 3.520 0 40 GHAB CCC(=O)NC(=S)Nc1ccc(-c2ccc(C(=O)O)o2)c(Br)c1 226351396 NNZFUGMAUNFLIX-UHFFFAOYSA-N 397.250 3.630 0 40 GHAB CCN1CCN(c2c(C(=O)c3ccc(OC)cc3)cnc3ccccc23)CC1 4313798 HHGTZGAURBKQTF-UHFFFAOYSA-N 375.472 3.616 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)c1cccn(OCc2cccc(Cl)c2)c1=O 5054888 RVJFYTPQICLVRP-UHFFFAOYSA-N 390.773 3.661 0 40 GHAB CCCc1cnc2c(c1SCc1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C 10216902 SBOMRFOJRRMFBY-UHFFFAOYSA-N 389.908 3.530 0 40 GHAB COc1cccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)c1 13695480 IISQTARFTNPNJH-UHFFFAOYSA-N 392.411 3.509 0 40 GHAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1cccc2ccccc12 225792953 RQFNWXONWNCRMN-UHFFFAOYSA-N 386.499 3.907 0 40 GHAB O=C(Nc1ccccc1)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 15182261 FLQIXYLASITKIS-UHFFFAOYSA-N 375.472 3.978 0 40 GHAB COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCCC3)c2c1 215700017 AJYIORVVMXBWIZ-BKUYFWCQSA-N 389.455 3.570 0 40 GHAB Cc1ccccc1N(CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)S(C)(=O)=O 40068258 SRUBVXSVYUNSDZ-HNNXBMFYSA-N 394.924 3.634 0 40 GHAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc(OC)c1O 40288015 KFDUMKZJCNKBNM-AWEZNQCLSA-N 383.379 3.858 0 40 GHAB COc1ccc(CN2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c(OC)c1 20609850 YGQCXHLNGCIOCR-UHFFFAOYSA-N 393.439 3.651 0 40 GHAB biogenic CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2nc(SC)ncc2Cl)cc1 11574001 VZAZDWNVMOWESX-SNVBAGLBSA-N 380.853 3.679 0 40 GHAB CCOC(=O)Cn1c(SCCOc2cccc(OC)c2)nc2ccccc21 11667449 DJALWOBKNNLMNQ-UHFFFAOYSA-N 386.473 3.779 0 40 GHAB Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccccc1 925354 SUAQXXXKDCJWHS-UHFFFAOYSA-N 387.896 3.811 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 2651644 VMXWCQWGDPVQQQ-UHFFFAOYSA-N 395.772 3.959 0 40 GHAB C[C@H](NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc(-n2ccnc2)cc1 32787234 PAXOHJDNFKZWMK-KRWDZBQOSA-N 388.471 3.880 0 40 GHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 102241430 GGXAALFNHOXMQN-HLLBOEOZSA-N 398.459 3.630 0 40 GHAB O=C(OCc1ccccc1C(F)(F)F)c1ccc(N2CCCS2(=O)=O)cc1 32860346 VPEUYBHKBVAYIH-UHFFFAOYSA-N 399.390 3.602 0 40 GHAB CCOc1ccccc1CN(C[C@H](C)O)C(=O)CCn1ccc2ccccc21 32802974 ULEFQDLIKALZMN-SFHVURJKSA-N 380.488 3.840 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)c(C)c1 4895184 FTQSCNKYTMDZCS-UHFFFAOYSA-N 377.492 3.632 0 40 GHAB c1ccc(CC2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1 4966629 UIRWNTNTGQTUOK-UHFFFAOYSA-N 384.487 3.729 0 40 GHAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc(-c2ccccc2)n[nH]1 6178876 RUWYGYHTBWKNAE-NSHDSACASA-N 384.427 3.753 0 40 GHAB CC(C)Cn1c(CCc2ccccc2)nnc1SCC(=O)NCc1ccco1 6327430 RJZGUXFJZGDGCE-UHFFFAOYSA-N 398.532 3.721 0 40 GHAB CCOc1ccc([C@@H]2CCCN2CN2C(=O)NC3(CCCCCC3)C2=O)cc1 52584170 FDUOHTOHQHSLEZ-IBGZPJMESA-N 385.508 3.825 0 40 GHAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 6706902 CGOGNCGSSWNJML-JIIJFUIFSA-N 388.489 3.885 0 40 GHAB CCOc1ccc(C(=O)CCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 6987686 DZQGQSHFYKIURX-UHFFFAOYSA-N 380.444 3.814 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1C(=O)N1CCCCC1 7604448 IFOSSJGIVFYJRV-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(F)c(F)c2)c(OC)c1 7719579 WMYPJIDTEUEOKA-SFHVURJKSA-N 376.403 3.758 0 40 GHAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N(C)CCOc1ccc(Cl)cc1 8532434 GIFPENRIQYBZAL-HNNXBMFYSA-N 378.875 3.537 0 40 GHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O 8945767 KIJSTBRALFURFG-QFIPXVFZSA-N 397.450 3.619 0 40 GHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NCc4ccccc4)cc3c2C1 32945370 OSNXENGGPJXXKT-OAHLLOKOSA-N 376.456 3.766 0 40 GHAB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)c(OC)c1OC 102680652 YQRCLJRTYYEYNE-INIZCTEOSA-N 384.436 3.612 0 40 GHAB Cc1c(Br)c(C(F)F)nn1[C@@H](C)c1nnc(-c2ccncc2)o1 2803735 YQKZHHOCBQAGBA-QMMMGPOBSA-N 384.184 3.946 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1c[nH]ccc1=O 69351527 KARPKIJHEMUFHD-UHFFFAOYSA-N 391.258 3.665 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@@H]1c1ccccc1OC 956243 SSLWAABHTFAVNL-LJQANCHMSA-N 390.443 3.806 0 40 GHAB Cc1ccc(C(=O)OCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cn1 23519350 WQGNCMXMRGXRSG-UHFFFAOYSA-N 393.468 3.568 0 40 GHAB O=C(NCCSc1ccc(Br)cc1)c1n[nH]c2ccccc12 23805422 MHRDCDVLACWRKQ-UHFFFAOYSA-N 376.279 3.848 0 40 GHAB Cc1ccc(CNC(=O)C2CCN(C(=O)C[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1F 105657844 NYFXSJZXTQJOOR-FFZOFVMBSA-N 386.511 3.815 0 40 GHAB O=C(NC1CCN(C(=O)Nc2cccc3cccnc23)CC1)c1ccc(F)cc1 43529251 YEGMBHSTSNITLT-UHFFFAOYSA-N 392.434 3.800 0 40 GHAB O=C(OCC(=O)N1CCCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1 3254841 DMXRXFXFKNERHN-UHFFFAOYSA-N 393.365 3.623 0 40 GHAB O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)N1CCCCC1 57425503 AKZOGWYHXFBNCQ-UHFFFAOYSA-N 399.541 3.611 0 40 GHAB COC(=O)c1ccoc1CN1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 26605145 LQLYWDWZSFSZJA-HNNXBMFYSA-N 397.258 3.976 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCCO2 35511653 RJXPFWHHXRSHKV-OAQYLSRUSA-N 383.444 3.746 0 40 GHAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c(C)c1 113957988 TYYFEHMNMKXBOB-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB COc1cccc(Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)c1 67258123 BFPOGEKFEVMPNX-UHFFFAOYSA-N 378.453 3.579 0 40 GHAB CCc1cc2c(SCc3cc(=O)n4nc(CC)sc4n3)ncnc2s1 8328307 FUFZRMZKZFAMHX-UHFFFAOYSA-N 389.531 3.573 0 40 GHAB Cc1cc(OCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)ccc1Cl 12601425 DOZOGBJXGKMNSW-LJQANCHMSA-N 387.842 3.806 0 40 GHAB COc1ccc2c(c1)[nH]c1c(N3CCc4cc(OC)c(OC)cc4C3)ncnc12 2153700 LLXAADRMVBHRPP-UHFFFAOYSA-N 390.443 3.700 0 40 GHAB biogenic CCCCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1Cl 27823950 NHVFDRCMNFEBTN-UHFFFAOYSA-N 392.908 3.970 0 40 GHAB Cc1ccc(-c2csc(NC(=O)Cc3ccc(-n4cnnn4)cc3)n2)cc1C 23152784 CKCSAYVNOYXAQR-UHFFFAOYSA-N 390.472 3.584 0 40 GHAB COc1cc(Cl)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 10584917 ILLGPWGHZAGRCP-UHFFFAOYSA-N 381.812 3.635 0 40 GHAB O=c1c2c3c(sc2n2c(S)nnc2n1CCc1ccccc1)CCCC3 2304564 YWDAJGCLKLBRFL-UHFFFAOYSA-N 382.514 3.516 0 40 GHAB CCCCc1c(C)nc2nc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nn2c1C 59419839 ZOYCMQZTZOBIBG-SUMWQHHRSA-N 389.569 3.871 0 40 GHAB CCC[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccccc1 12813549 STPFRTPLESOQNI-IBGZPJMESA-N 386.517 3.670 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 3515858 HWKVAVCQNFCQNA-UHFFFAOYSA-N 388.367 3.849 0 40 GHAB CSc1cccc(NC(=O)CSc2ccc3nnc(C(F)(F)F)n3n2)c1 61719367 IGHYCQAUEAMOMC-UHFFFAOYSA-N 399.423 3.596 0 40 GHAB O=C(Nc1ccnn1Cc1ccccc1)c1cc(=O)c2cc(Cl)ccc2o1 13691045 FVMFJMBAQZNMMW-UHFFFAOYSA-N 379.803 3.944 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)c1nc2ccccc2c(=O)[nH]1 6082748 BQLIQQZQUUOGLI-HNNXBMFYSA-N 388.427 3.644 0 40 GHAB Cc1ccc(OCCn2c(CCNC(=O)c3ccco3)nc3ccccc32)cc1 4386819 DQAZDISOYWVUDP-UHFFFAOYSA-N 389.455 3.989 0 40 GHAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1 4373486 DDOWEKOMJWMOSE-LJQANCHMSA-N 375.432 3.604 0 40 GHAB Cc1cc(C(=O)NCc2csc(-c3ccccc3)n2)c2c(C)nn(C)c2n1 26795716 DGTGYEAHASWPKD-UHFFFAOYSA-N 377.473 3.639 0 40 GHAB O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1cc(Cl)ccc1Cl 5388143 SQFGVEOPANKJRA-UHFFFAOYSA-N 380.256 3.917 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)N[C@H](C)c3ccc(C)c(C)c3)C(=O)[C@H]2C)cc1 14264138 ZLEBBHOMWJFLSX-QZTJIDSGSA-N 393.487 3.646 0 40 GHAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1Br 6850093 MYMOARJKWDCRAC-NSHDSACASA-N 382.279 3.598 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 6811807 KEXYCJCWAYOGTI-OALUTQOASA-N 393.516 3.855 0 40 GHAB Cc1ccc(S(=O)(=O)c2cc3cc(Br)ccc3oc2=O)cc1 4936751 PFBJOWKIKGOTPK-UHFFFAOYSA-N 379.231 3.697 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2[nH]nnc2Nc2ccc(C)c(C)c2)cc1OC 67283964 PVSWXPWJUHACFY-AWEZNQCLSA-N 395.463 3.673 0 40 GHAB CCCN(CC1CC1)C(=O)Cn1cnc2cc(-c3ccc(F)cc3)sc2c1=O 8848482 FMIIMSWYEFXPQN-UHFFFAOYSA-N 399.491 3.913 0 40 GHAB COc1ccc(Cc2cnc(NC(=O)[C@@H]3COc4ccccc4C3)s2)cc1 8843789 YHCHIWJSQSLXJM-INIZCTEOSA-N 380.469 3.932 0 40 GHAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C(C)C)cc1OC 9185567 YDCVCQUQSZOFAR-UHFFFAOYSA-N 380.444 3.596 0 40 GHAB COc1ccc(CN(C(=O)c2ccc(CN3CCCC3=O)cc2)C2CC2)cc1 8165119 LVTWULFDLXXAEN-UHFFFAOYSA-N 378.472 3.622 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)c1C 9237928 LHAUHUSHFHQVPK-QZTJIDSGSA-N 379.489 3.601 0 40 GHAB CCCn1c(NC(=O)c2cc3cccc(OC)c3oc2=O)nc2ccccc21 9367286 YFPMWWREBNMTPR-UHFFFAOYSA-N 377.400 3.814 0 40 GHAB CCc1ccc(C2=NN(C(=O)COc3ccccc3)[C@@](O)(C(F)(F)F)C2)cc1 20035450 KILYXEZTWYPKIW-IBGZPJMESA-N 392.377 3.515 0 40 GHAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OC 409246106 FAIGVEJGMUCVKR-CXUHLZMHSA-N 386.835 3.759 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2CC)cc1OCC 72330898 XOMOIYNIOMOZEI-UHFFFAOYSA-N 385.460 3.771 0 40 GHAB CC(=O)Nc1ccc(Cl)cc1NC(=O)c1nc(N2CCCC2)ncc1Cl 84796815 OYPHEHYGKNUEJI-UHFFFAOYSA-N 394.262 3.594 0 40 GHAB O=C(CCc1ccc(OC(F)(F)F)cc1)N1CCO[C@@H](Cc2ccccc2)C1 95463825 BLFLLFJKXQVSNV-IBGZPJMESA-N 393.405 3.988 0 40 GHAB CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 79055044 DNBAHKMUKCHSLF-JKSUJKDBSA-N 390.480 3.870 0 40 GHAB Cc1occc1C(=O)Nc1nn(Cc2ccccc2F)cc1Br 28573799 YZOQWUASXNIFNS-UHFFFAOYSA-N 378.201 3.987 0 40 GHAB C[C@@H](c1ccccc1Cl)N1CCN(CCCNC(=O)C2CCCC2)CC1 75094083 GCLYSRXEIDALNM-KRWDZBQOSA-N 377.960 3.715 0 40 GHAB Cc1cn2c(n1)CC[C@@H](N[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C2 89702175 BJYBYQYJLAVTJY-TZIWHRDSSA-N 378.451 3.615 0 40 GHAB O=C(Nc1nc2ccc(NS(=O)(=O)c3ccccc3)cc2s1)c1ccco1 20411064 VUGIDSRMCDFWHH-UHFFFAOYSA-N 399.453 3.942 0 40 GHAB COc1ccc(-c2nnn(CSC)c2C(=O)Nc2ccc(C)cc2)cc1OC 32611823 VYTAAXLFLNEGLM-UHFFFAOYSA-N 398.488 3.844 0 40 GHAB CCCCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2c1=O 38655372 NPKPNGAKAUCXLK-UHFFFAOYSA-N 390.443 3.905 0 40 GHAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1-c1noc(C(C)(C)C)n1 33013379 QVYILIBUGBNCCE-CYBMUJFWSA-N 393.509 3.606 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 223682010 ISNCWFVTZGZPEG-OAHLLOKOSA-N 390.886 3.883 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 222490923 NTBITMUAHQWRDQ-OAHLLOKOSA-N 390.936 3.737 0 40 GHAB CS(=O)(=O)N(CCCC(=O)NCC1CCCCC1)c1cccc(Cl)c1 224631721 UYCRDKQLXJSXIC-UHFFFAOYSA-N 386.945 3.583 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1 223579876 PTDXYSXZVYUWOE-UHFFFAOYSA-N 385.489 3.989 0 40 GHAB Cc1ccc(Cn2ccc3nc4nc(C)nn4c(-c4ccc(F)cc4)c3c2=O)cc1 40398567 UHGYOWPYJHZOHF-UHFFFAOYSA-N 399.429 3.910 0 40 GHAB CCCC[C@H](CC)CNC(=O)CCCN(c1cccc(F)c1)S(C)(=O)=O 224799368 GWJVYTSQQSAPHA-INIZCTEOSA-N 386.533 3.705 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 224738792 OOBZIZBHSQCCOO-IBGZPJMESA-N 382.504 3.626 0 40 GHAB COc1cc(CCNC(=O)c2c(C)nn(C(C)(C)C)c2C)ccc1OC(F)F 40144214 FCHKTAKOWVPYPI-UHFFFAOYSA-N 395.450 3.837 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1Cl 44900577 ZCVOKNXIAPAXQS-UHFFFAOYSA-N 388.851 3.606 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1Cl 223669973 YHBCYQWKLUVUOG-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1 223133001 KPTLJXDIKTTXST-FQEVSTJZSA-N 382.504 3.788 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 225600389 ZINUSXZGMWQJKO-UHFFFAOYSA-N 395.843 3.658 0 40 GHAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(OCC)cc2)c1C 224605856 APUSNSPGWJRTGW-UHFFFAOYSA-N 391.489 3.786 0 40 GHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCc1ccccc1OC 222982567 YHVDPJOGPXFHKN-KRWDZBQOSA-N 398.503 3.537 0 40 GHAB O=S(=O)(c1ccccc1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1 96046624 PDWJXHKWAMWZOD-UHFFFAOYSA-N 388.508 3.503 0 40 GHAB Cc1ccccc1CN(C)c1nnc([C@@H]2COCCO2)n1CCc1ccccc1 578911698 KFJGKBJWHXQZRO-NRFANRHFSA-N 392.503 3.554 0 40 GHAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccc(Br)c(C)c3)C2)nn1 90592246 CKSMMLMNWDWGPT-CQSZACIVSA-N 389.297 3.711 0 40 GHAB CCNC(=O)C[C@@H]1CCCCN1Cc1cn(C)nc1-c1cc2ccccc2o1 585081453 MLHRPZXIUVPHLH-SFHVURJKSA-N 380.492 3.714 0 40 GHAB CCC(=O)N1CCC(Cc2ccccc2-c2ccncc2)(C(=O)NC(C)C)CC1 257319552 VSZNXYVTDMIRFK-UHFFFAOYSA-N 393.531 3.835 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 260790527 FYUPIMNZUJXLIX-ZWKOTPCHSA-N 382.570 3.791 0 40 GHAB COCCOc1ccccc1CNc1nccc(N2Cc3ccccc3C2)n1 623882749 HINYCNZWABIMJU-UHFFFAOYSA-N 376.460 3.634 0 40 GHAB COC(=O)c1ccnc(C(=O)N2CC[C@H](c3cc(F)c(F)c(F)c3)C2(C)C)c1 1134180275 NDXIJQJRVBCQIQ-CYBMUJFWSA-N 392.377 3.694 0 40 GHAB CC(=O)Nc1cc(NC(=O)N(C)Cc2ccc3c(c2)OC(F)(F)O3)ccc1C 653944486 PIBYLBWGFIELSW-UHFFFAOYSA-N 391.374 3.939 0 40 GHAB CN1CCC(CNC(=O)NCc2ccc3cccnc3c2)(c2ccccc2)CC1 1684634681 CVRBSZVJGOAFBK-UHFFFAOYSA-N 388.515 3.698 0 40 GHAB CCCOc1ccc(O[C@H]2CCCC[C@H]2N2C(=O)N3CC4CC3(C4)C2=O)cc1 656804719 HHCLLNISWXEPTO-ZUOPCTPKSA-N 384.476 3.592 0 40 GHAB O=C(c1cc2ccccc2o1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96103458 BBOMFKPEDXWVQV-INIZCTEOSA-N 389.860 3.775 0 40 GHAB CC(C)C[C@@H](O)C(=O)N1CCC[C@@]2(CCCN2Cc2cccc(F)c2)CC1 585100800 WYQOAOGINDSTOL-IFMALSPDSA-N 376.516 3.580 0 40 GHAB C[C@H](NC(=O)NC[C@@H]1C(C)(C)C1(F)F)c1ccc(N2CCCCC2=O)cc1 852347303 CJAQBGRTGDUXRS-XJKSGUPXSA-N 379.451 3.855 0 40 GHAB C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2nccc3ccsc23)C1=O 952994745 JWIGZCOJLKHHLH-SUMWQHHRSA-N 397.475 3.917 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COc1ccc2c(c1)CCC2 12905033 IEHRPTXKSKVUBV-UHFFFAOYSA-N 380.488 3.740 0 40 GHAB Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)n2nc(-c3ccco3)nc2n1 15780321 UTCMUNKLRRBHPH-UHFFFAOYSA-N 394.866 3.673 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)c(C)c1 19132754 TXEFJFLYKSZROJ-CYBMUJFWSA-N 382.489 3.665 0 40 GHAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)C3[C@H]4CCCC[C@@H]34)n2)cc1 19211123 BKOLJWUZXOUIPH-SJPCQFCGSA-N 390.530 3.800 0 40 GHAB Cc1ccnn1Cc1cc(C(=O)NCCN(C)c2ccccc2)c2ccccc2n1 19238538 IUJHBQRUJAMHKD-UHFFFAOYSA-N 399.498 3.654 0 40 GHAB O=C1NCCN(Cc2ccc(F)cc2)C[C@@H]1Cc1cccc(-c2cccnc2)c1 19331502 CJAXNIZYYZIDQH-QFIPXVFZSA-N 389.474 3.678 0 40 GHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)CC)C1 19498438 TYNXRANHACSUHD-HSZRJFAPSA-N 382.479 3.800 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cc(C)no3)cc2n1 19522298 IIWIQEQDLZHXRE-CYBMUJFWSA-N 393.369 3.584 0 40 GHAB C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)COc1ccccc1F 19575451 BPZJNDHZVZRVFF-GFCCVEGCSA-N 395.356 3.778 0 40 GHAB COc1ccc(-c2nccnc2[C@@H]2CN(CCc3ccccc3)CCO2)cc1 19693160 QMLMJVMAAKRBFE-NRFANRHFSA-N 375.472 3.768 0 40 GHAB CCCN1CCCC[C@H]1c1nc(C)ncc1C(=O)NCc1ccc(OC)cc1 19766530 QJYLNIPXFVNFBZ-FQEVSTJZSA-N 382.508 3.661 0 40 GHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cnc(-c2ccccc2)[nH]c1=O 19937358 MOAWEVUOXCEFSO-UHFFFAOYSA-N 377.297 3.847 0 40 GHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CN1CCc2sccc2[C@H]1c1cccs1 36512199 DGRKTMXSUDOWDZ-IYOUNJFTSA-N 386.542 3.890 0 40 GHAB Cc1cc(OC[C@H]2CCCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)ccn1 1776001087 YKORUACVGZENQC-AWEZNQCLSA-N 379.382 3.735 0 40 GHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3c(F)cccc3F)C2)cc1C 2037913039 MGGJBGCIPNQIGF-NRFANRHFSA-N 375.415 3.628 0 40 GHAB COc1ccc2ncc(C(=O)c3ccc(C)cc3)c(N3CCN(C)CC3)c2c1 2694213 QVGQACLOIPYFPP-UHFFFAOYSA-N 375.472 3.535 0 40 GHAB O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)c1ccccc1 2719721 YHOGGKFNMCRYNH-UHFFFAOYSA-N 380.494 3.856 0 40 GHAB CCCCCCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 3097250 WCUKQXBTWNWPSN-NEPXVJNWSA-N 385.460 3.885 0 40 GHAB COCCn1cc(NC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21 5266297 DFLKRODZVXXQFW-UHFFFAOYSA-N 396.466 3.781 0 40 GHAB CCc1ccc(-c2csc(NC(=O)CN3C(=O)c4ccccc4C3=O)n2)cc1 6356365 WFXZMKMLHGQSIC-UHFFFAOYSA-N 391.452 3.607 0 40 GHAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)nn1C 9002427 KMHOVNLSCWXKKR-UHFFFAOYSA-N 399.426 3.858 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1 9036718 TWDCLMMBZSJQSV-UHFFFAOYSA-N 390.439 3.804 0 40 GHAB CCC(=O)Nc1ccc(SCC(=O)Nc2ccccc2C(F)(F)F)nn1 11027499 UXEYIFCHOCDJKM-UHFFFAOYSA-N 384.383 3.575 0 40 GHAB COc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCC2)c(OC)c1 13804503 GUJNQYUHONBLKI-UHFFFAOYSA-N 381.519 3.556 0 40 GHAB Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@@H](n2cnc3ccccc32)C1 575615304 CWCCZHMCECAMKA-CQSZACIVSA-N 377.473 3.586 0 40 GHAB CC[C@H](Sc1ncnc2[nH]cnc12)C(=O)Nc1ccc(Br)cc1 13572012 RKVGNNWVEWDNSK-NSHDSACASA-N 392.282 3.625 0 40 GHAB COc1ccc(OCCNC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc1 15480477 VWDDUDAFOBEYHF-UHFFFAOYSA-N 395.455 3.546 0 40 GHAB CC(C)CC(=O)N[C@@H]1C[C@@H](c2nc(-c3ccccc3)nn2C(C)C)CC[C@H]1O 2332241446 MQXSVOYQDCDJOQ-IPMKNSEASA-N 384.524 3.685 0 40 GHAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(c3ccc(C)cc3)[C@@]1(C)Oc1ccccc12 100029641 PSQLDKTWHXXTDB-WFXMLNOXSA-N 382.485 3.719 0 40 GHAB COc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)cc1 100646745 WYPWQSBEZYAKAI-SBNAJNSHSA-N 379.412 3.624 0 40 GHAB CN1C(=O)CC[C@@H](C(=O)Nc2ccccc2Br)[C@H]1c1ccccc1 20734626 CTWAIDRIMYTYKZ-RDTXWAMCSA-N 387.277 3.997 0 40 GHAB Cc1ccc(CNC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 3519281 DGMQOSAELBWUHI-UHFFFAOYSA-N 378.457 3.935 0 40 GHAB CCCCOc1ccc(-c2nnn(CC(=O)c3c[nH]c4ccccc34)n2)cc1 4213473 MARFFMOVSWJYAG-UHFFFAOYSA-N 375.432 3.883 0 40 GHAB O=C(CSc1nnc(-c2ccccc2)n1-n1cccc1)Nc1ccccc1F 4518570 QABJXWPWANRRFC-UHFFFAOYSA-N 393.447 3.928 0 40 GHAB CC[C@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NC1CCCC1)c1ccccc1 4965188 PNDBDNBDPNMQEK-KSSFIOAISA-N 386.521 3.579 0 40 GHAB CCCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 6320223 BHXCFLKXHPGDSA-UHFFFAOYSA-N 394.924 3.842 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)NC[C@H](c1ccccc1Cl)N1CCOCC1 29804594 GWEXTDQKDYTFRX-OAQYLSRUSA-N 397.906 3.554 0 40 GHAB O=C(NCCSCc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 7504795 IZMYHLLPJBWMBV-UHFFFAOYSA-N 390.936 3.840 0 40 GHAB O=C(Nc1ccccc1F)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 7670133 DRIGKGKCPLOXOS-UHFFFAOYSA-N 387.436 3.559 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1nc2ccsc2c(=O)[nH]1 7986657 BGEGFGQSZJXDPA-UHFFFAOYSA-N 378.837 3.539 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)C1 29900042 MLJJWWQUTGTMNQ-SFHVURJKSA-N 391.471 3.749 0 40 GHAB CCCCOC(=O)c1ccc(OC(=O)c2cc(C)nc3c2c(C)nn3C)cc1 32900235 QGKJSDRZVJTVOM-UHFFFAOYSA-N 381.432 3.761 0 40 GHAB CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 102726860 CHDOAUOMIZFFEO-KRWDZBQOSA-N 384.480 3.980 0 40 GHAB COc1cc(N[C@H](C)C2=N[C@H]3SC(C)=C(C)[C@H]3C(=O)N2)c(OC)cc1Cl 57369825 FGBBVJYNQHQRIF-OETHJERPSA-N 395.912 3.669 0 40 GHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)c2)n1 53469550 WPVOOTVBKMLGRA-UHFFFAOYSA-N 399.454 3.800 0 40 GHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)OCCOc1ccccc1Cl 22982626 WJOYFQCVTFDTBG-UHFFFAOYSA-N 386.835 3.521 0 40 GHAB Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)[nH]c2c1C(=O)CC(C)(C)C2 23043431 BQQWXCCHFYTYOV-INIZCTEOSA-N 383.492 3.638 0 40 GHAB CC(C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1ccc(Br)cc1 23819615 GDRQOIUQHWVKIZ-CYBMUJFWSA-N 379.302 3.686 0 40 GHAB CCN(CCCNC(=O)[C@H](NC(=O)Nc1ccccc1)C(C)C)c1ccccc1 12526582 LHBWTIQWOCCGJV-OAQYLSRUSA-N 396.535 3.866 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 24968867 UBQHMWZNMGUURU-KRWDZBQOSA-N 392.459 3.573 0 40 GHAB Cc1nc(C2(NC(=O)Cc3nc(-c4ccccc4)oc3C)CCCCC2)no1 25088227 HWDAWEGGONDVPG-UHFFFAOYSA-N 380.448 3.860 0 40 GHAB COc1ccc(CN2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1OC 61997660 GRSAJHSUTGBSLG-UHFFFAOYSA-N 381.428 3.779 0 40 GHAB biogenic O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCCC1=CCCCC1 3249619 WTFWTOBKJYFFTC-UHFFFAOYSA-N 377.868 3.853 0 40 GHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 113969933 XLGHJAXZPPLFDS-NRFANRHFSA-N 396.487 3.572 0 40 GHAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(OC)c1 12601837 HYEWUXUPEJTEGM-SQUSKLHYSA-N 377.444 3.957 0 40 GHAB CN(CCOc1ccccc1F)C(=O)C1CCN(c2nc3ccccc3o2)CC1 10357900 JJCRLDJMIZXCIT-UHFFFAOYSA-N 397.450 3.721 0 40 GHAB COc1cccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)c1 2258359 DINXKFQZZUQTGH-UHFFFAOYSA-N 390.443 3.977 0 40 GHAB Cc1cc(C(C)(C)C)ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 3354103 TYJHPGGUVVOBRD-UHFFFAOYSA-N 375.490 3.762 0 40 GHAB C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1c(Cl)cccc1Cl 36396425 DJFVBGIAPRSTHT-GFCCVEGCSA-N 386.300 3.960 0 40 GHAB CSc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 10763767 WRRXYOJUALEDKQ-ZDUSSCGKSA-N 396.559 3.509 0 40 GHAB CCCCn1c(N)c(C(=O)NCCCOC(C)C)c2nc3ccccc3nc21 2440390 WECJULPHLYYFEI-UHFFFAOYSA-N 383.496 3.512 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1OCC 12784878 RQJXQCQMPKVMHT-UHFFFAOYSA-N 384.476 3.778 0 40 GHAB CCC(=O)c1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 3505902 JJUQFQUKFSTONC-UHFFFAOYSA-N 386.879 3.660 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1OC 12999391 ZTQUUIZSKQMQRJ-OAHLLOKOSA-N 383.448 3.586 0 40 GHAB CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCCC1=O 12906850 ZSQMTSLIZROUGA-UHFFFAOYSA-N 386.835 3.687 0 40 GHAB O=C1C[C@H](C(F)(F)F)N(C(=O)CN2CCCCCCC2)c2ccccc2N1 13002785 PMSDTAWBTHRIMS-MRXNPFEDSA-N 383.414 3.559 0 40 GHAB COc1ccccc1NC(=O)N1CCN(Cc2nc3ccccc3s2)CC1 18175600 HVRLZYUHKMYJIG-UHFFFAOYSA-N 382.489 3.655 0 40 GHAB O=c1/c(=C/c2c(F)cccc2Cl)sc2nc(/C=C/c3ccccc3)nn12 5185377 UXBJIFFBKQYBNJ-MDHDVOIXSA-N 383.835 3.662 0 40 GHAB CC(C)OC(=O)c1cccc(Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 5183145 VRWDWNGFHVAEDQ-ZDUSSCGKSA-N 397.500 3.591 0 40 GHAB C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccc(N2CCOCC2)cc1 6381840 XSELCLSEXQTJJN-HNNXBMFYSA-N 396.516 3.529 0 40 GHAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(NC(C)=O)cc3)c(=O)oc2c1 5348937 QELGBZIODMTRAX-UHFFFAOYSA-N 394.427 3.640 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3ccccc3c3nc(C)nn23)c(F)c1 8704146 FAZCPGSRXDKKPD-UHFFFAOYSA-N 381.436 3.764 0 40 GHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)Cc2ccsc2)c1C 6609858 UBNJXSDORALPMS-GOSISDBHSA-N 386.517 3.554 0 40 GHAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc(Br)c2)C1=O 5792392 OKYZUFCENAQLBE-KRWDZBQOSA-N 395.203 3.695 0 40 GHAB COc1ccc2c(CN(C)CCCc3ccc(OC)c(OC)c3)cc(=O)oc2c1 15034352 KOHRCDNWDQYDRO-UHFFFAOYSA-N 397.471 3.883 0 40 GHAB COc1cccc(CC(=O)N2CCN(Cc3cnc(C4CCCC4)s3)CC2)c1 92536124 STQDMHLHFRBUNW-UHFFFAOYSA-N 399.560 3.696 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)s2)cc1 80329179 JOLXPCXTAYUSQX-IERDGZPVSA-N 386.517 3.894 0 40 GHAB O=C(COC(=O)c1ccc2ccccc2c1O)NCCc1c[nH]c2ccccc12 7358234 MVCUNTGXRVZTDZ-UHFFFAOYSA-N 388.423 3.542 0 40 GHAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1CCSc1ccc(F)cc1 8943403 UZVWQGHDVBRLNT-GOSISDBHSA-N 376.478 3.763 0 40 GHAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1cc(Cl)ccc1Cl 15879781 XFTPDUPFPJTCKX-UHFFFAOYSA-N 391.210 3.630 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3nc(-c4ccc(Cl)s4)cs3)nc2n1 28604999 AFVHIGODGGQSAW-UHFFFAOYSA-N 390.881 3.832 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 7802177 YONVNXHMBASBID-UHFFFAOYSA-N 397.399 3.502 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)OCc1cc(-c2cccs2)on1 7853955 QTSGDUCHBAFFBB-UHFFFAOYSA-N 377.443 3.554 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c1 8058956 DVCZZRVDFNVKQY-SFHVURJKSA-N 375.490 3.846 0 40 GHAB COc1cc(Br)c(CCNC(=O)c2ccc(C)cc2)cc1OC 8117129 BRFMYCHVMWUMAV-UHFFFAOYSA-N 378.266 3.747 0 40 GHAB COc1ccccc1C1(c2nnc(-c3ccc4c(c3)OCCO4)o2)CCOCC1 71889802 NKHHAODDBXYYRL-UHFFFAOYSA-N 394.427 3.613 0 40 GHAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)n1 84102221 QIDDJTUJZJIRTR-MRXNPFEDSA-N 391.519 3.694 0 40 GHAB CC(=O)Nc1cccc2c1CCN(S(=O)(=O)/C=C/c1ccc(Cl)cc1)C2 83815590 JJJFHWIBBYWECT-ZRDIBKRKSA-N 390.892 3.657 0 40 GHAB O=C(CCc1ccc(Cl)s1)Nc1ccccc1-n1ccc(C(=O)O)n1 95424657 YNZABOAYYBOIRN-UHFFFAOYSA-N 375.837 3.857 0 40 GHAB O=C(CC1(C(F)(F)F)SCCS1)N1CCC(Nc2cccnc2)CC1 95449277 UEMBVEMVOZZSHW-UHFFFAOYSA-N 391.484 3.613 0 40 GHAB Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)CCc2ccc3ccccc3c2)cn1 95452757 CUCKZBYUXVGXIM-YADHBBJMSA-N 377.488 3.621 0 40 GHAB Cc1nc(COc2cccc(C(=O)Nc3cccc(OCC(=O)O)c3)c2)cs1 95425129 VQKOLQHIMYWXMW-UHFFFAOYSA-N 398.440 3.746 0 40 GHAB COC(=O)c1cc(CNC(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1OC 9958643 HWSWDJFJQFKLCS-ZDUSSCGKSA-N 382.416 3.788 0 40 GHAB COc1cc(NC(=O)c2nn(CC(C)C)cc2C(F)F)cc(OC)c1OC 89856687 BZRZDTTYUQGIRQ-UHFFFAOYSA-N 383.395 3.755 0 40 GHAB C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)CS2 23042305 BXYGQPVNWSPSAS-LJHODMEESA-N 390.505 3.547 0 40 GHAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2sccc2C)C1=O 409337093 WQQUUVONARDNCQ-OQLLNIDSSA-N 388.470 3.740 0 40 GHAB CSc1cc(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)ccc1F 500137457 NPKPQLMCSDBRJU-UHFFFAOYSA-N 392.883 3.686 0 40 GHAB c1ccc(-c2noc(CSc3n[nH]c(-c4ccc5c(c4)OCCO5)n3)n2)cc1 502485481 GSOATLPWQTZFKG-UHFFFAOYSA-N 393.428 3.585 0 40 GHAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(O)c3)C2=O)cc1 409182330 JYRHQWKSWAEDRV-GZTJUZNOSA-N 382.441 3.630 0 40 GHAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 72356173 SXBOADPDDCFJAT-GOSISDBHSA-N 378.451 3.863 0 40 GHAB Cc1ccc(OCCNC(=O)COc2ccc(Br)cc2Cl)cc1 218945330 JARCIDACJRZTLT-UHFFFAOYSA-N 398.684 3.985 0 40 GHAB Cc1nn(-c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cn2)c(C)c1Cl 72404619 ZMIBEPPTJIGHBQ-UHFFFAOYSA-N 394.818 3.896 0 40 GHAB CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(OC)cc3)CC2)cc1 35292224 WOIOXOVGCLBAPM-UHFFFAOYSA-N 397.475 3.520 0 40 GHAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)c(C)c1 72333934 HQCBUXKMGMQFDI-UHFFFAOYSA-N 376.250 3.539 0 40 GHAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(O)c(OC)c3)N21 222654012 IALOODGXRPQBSF-FSPWUOQZSA-N 385.489 3.784 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1Cl 223580833 WKHOLPPPENVVIG-INIZCTEOSA-N 388.895 3.581 0 40 GHAB O=C(NCc1cc(-c2ccccc2)no1)NC[C@@H]1CCCN1Cc1ccccc1 523705649 VJNNVZYRQRHFAY-FQEVSTJZSA-N 390.487 3.805 0 40 GHAB CCCSc1nnc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)s1 225200802 XMTQWTFUDICBCJ-UHFFFAOYSA-N 399.563 3.728 0 40 GHAB Cc1cc(C)c(S(=O)(=O)NCC2CCN(Cc3ccsc3)CC2)cc1C 43953886 CNMXTJGIHGXBOJ-UHFFFAOYSA-N 392.590 3.864 0 40 GHAB COc1ccc(OCCNC(=O)[C@@H](C)c2ccc(C[C@H]3CCCC3=O)cc2)cc1 575443988 JODBQEHWZDTTKW-FXAWDEMLSA-N 395.499 3.906 0 40 GHAB COc1cc(NC(=O)[C@@H]2CCc3cccc(O)c32)cc(OC)c1Br 571827047 XBKGCENKAVDWJF-GFCCVEGCSA-N 392.249 3.840 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 223535829 FLPLAHIIDIIDJH-GOSISDBHSA-N 390.483 3.772 0 40 GHAB Cc1cc(C)cc(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1 222837520 AQOAAEWKUDBKJU-UHFFFAOYSA-N 396.512 3.539 0 40 GHAB O=C(c1snnc1-c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 225771221 WSPZWDCUUZTUPT-UHFFFAOYSA-N 384.892 3.821 0 40 GHAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1cccc(OC(F)(F)F)c1 225622015 JAZRUEPZQUZBRM-QGZVFWFLSA-N 380.366 3.878 0 40 GHAB O=S(=O)(c1ccccc1Cl)N1CC[C@H](c2noc(-c3cccs3)n2)C1 238811748 AMANTUZRQLLLBK-NSHDSACASA-N 395.893 3.630 0 40 GHAB Cc1cc(C)c2[nH]c(C[C@@H](c3nc4cc(C)cc(C)c4[nH]3)S(=O)(=O)O)nc2c1 255187854 HEOZVUWVMAQUJI-INIZCTEOSA-N 398.488 3.844 0 40 GHAB Cc1ncncc1C(=O)N1CCC[C@]1(C)c1ncc(Cc2cccc(F)c2)o1 257253869 KAPCWWYFAYFKEH-OAQYLSRUSA-N 380.423 3.654 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cn1 257277205 NWWLDAMOBOFFKD-KRWDZBQOSA-N 395.434 3.828 0 40 GHAB COc1ccc(C)cc1-n1ccc(C(=O)N[C@H]2CCCOc3cc(F)ccc32)n1 540777185 AIXYYRSRSRLKTN-KRWDZBQOSA-N 395.434 3.972 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257266280 MCHBWXCCJZLMQB-FQEVSTJZSA-N 398.409 3.686 0 40 GHAB CC1(C)CN(C(=O)C2(N)CC3(CCC3)C2)[C@@H]1C1CCN(Cc2ccccc2)CC1 663022827 PTWQNAOUBNANPG-OAQYLSRUSA-N 395.591 3.797 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)sc1C(=O)O 47201576 ZOIALRIHMFMTBC-UHFFFAOYSA-N 379.431 3.870 0 40 GHAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccccc1OC(F)F 5952746 WLCNBFHQUWVKNC-KRWDZBQOSA-N 388.370 3.616 0 40 GHAB Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 19136087 HQSNGCVGYDNRSF-LAUBAEHRSA-N 378.520 3.630 0 40 GHAB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cl)cc2)C1=O 8278243 VKSWEBFAAYFFMM-UKTHLTGXSA-N 375.211 3.968 0 40 GHAB O=C1COc2ccccc2CCCC[C@H]2CN(Cc3ccc(F)cc3)CC[C@H]2N1 2037844306 SKSNZLLEMWBSJJ-RBBKRZOGSA-N 396.506 3.938 0 40 GHAB Cc1cc(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)no1 5270873 IXHIVSHCVMPHIJ-UHFFFAOYSA-N 378.215 3.752 0 40 GHAB Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2ccc(F)c(F)c2)c1 7509015 DYHWFTUUZRPCDB-UHFFFAOYSA-N 392.365 3.620 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1 10326113 ZIIIRTUHIKLPGL-UHFFFAOYSA-N 390.458 3.780 0 40 GHAB Cc1ccccc1-c1ccc(N2CCN(Cc3nc4c(s3)CCC4)CC2)nn1 1775975556 JYQXFLLOSHYBON-UHFFFAOYSA-N 391.544 3.719 0 40 GHAB C[C@H]1Cc2cc(-c3cc(CNC(=O)Cc4noc5ccccc45)no3)ccc2O1 36662316 PAOIYVTUXGOWOQ-ZDUSSCGKSA-N 389.411 3.665 0 40 GHAB Cc1nc(COc2ccc(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)cc2)no1 40050802 GLNQEVACWYFBJN-KGLIPLIRSA-N 383.370 3.808 0 40 GHAB Cc1nc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)sc1C 40130484 MFDVQMHYDPCHRR-CYBMUJFWSA-N 397.422 3.766 0 40 GHAB O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@H]1CC=CC[C@H]1C(=O)O 30521579 QJXJCQFHRSYVSM-JKSUJKDBSA-N 386.835 3.920 0 40 GHAB COc1ccc(OCCn2c([C@H]3CCCN3C(C)=O)nc3ccccc32)cc1 31903380 KDXBSEGGXRBETK-OAQYLSRUSA-N 379.460 3.807 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 15329078 UDYQSNNDOQVGJS-UHFFFAOYSA-N 388.272 3.601 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1 1262983 SPRYHNUFJVMGOS-UHFFFAOYSA-N 375.450 3.961 0 40 GHAB CCOC(=O)c1csc(-n2nc(-c3ccc(Cl)cc3)cc2NC(C)=O)n1 1415805 HXSKZRJBNCECKX-UHFFFAOYSA-N 390.852 3.784 0 40 GHAB COc1ccc(OC[C@@H](O)CN(Cc2cccc(F)c2)Cc2ccco2)cc1 32593891 APDGWQGYWZJILY-IBGZPJMESA-N 385.435 3.869 0 40 GHAB CCn1cc(Br)c(CN(C)C(=O)c2cc(-c3cccs3)on2)n1 2803077 ULYUVEBZIMYDQQ-UHFFFAOYSA-N 395.282 3.654 0 40 GHAB COc1ccc2c(CSc3nncn3-c3ccccc3OC)cc(=O)oc2c1 2643224 JGIFRWRDRJFPEJ-UHFFFAOYSA-N 395.440 3.683 0 40 GHAB C[C@@H](Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1)C(=O)c1ccccc1 4545020 ITUYFYWRVXXPMH-HUOSYWTJSA-N 389.451 3.872 0 40 GHAB Cc1ccc(C)c(CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC4CC4)cc32)c1 4965786 YCUDQESLQAWONF-UHFFFAOYSA-N 378.472 3.900 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)N1CCCC1 6432179 PWZWTKRGZUWHKP-INIZCTEOSA-N 382.382 3.631 0 40 GHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cccc(C(C)=O)c2)CC1=O 7881872 WCOMTVIYRDGTCP-AWEZNQCLSA-N 386.835 3.543 0 40 GHAB CN(C)S(=O)(=O)c1ccc(CNc2ncc(C(F)(F)F)cc2Cl)s1 32869728 PCQCVJHPEOZCKM-UHFFFAOYSA-N 399.847 3.678 0 40 GHAB COc1cc(C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC 8110444 NHVIELFUIWIVCJ-QGZVFWFLSA-N 387.457 3.519 0 40 GHAB COc1ccccc1OCC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 32930252 QSASVPKEISMEPK-UHFFFAOYSA-N 390.439 3.643 0 40 GHAB Cc1cccc2c(=O)[nH]c(CSc3nnc(C4CC4)n3-c3ccccc3)nc12 7154164 MIRDRHXVLVWKEB-UHFFFAOYSA-N 389.484 3.982 0 40 GHAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc2c(c1)OCO2)CO3 54278256 AKCXTMWECZUUGV-UHFFFAOYSA-N 379.412 3.745 0 40 GHAB biogenic O=C(Nc1ccc(Br)cc1Cl)N1CCN(c2ccccn2)CC1 20534370 PKKXLXRQARQDDE-UHFFFAOYSA-N 395.688 3.852 0 40 GHAB C[C@@H](NC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1Cl 105123252 AFEGMHVVRFRZAW-HZPDHXFCSA-N 397.910 3.791 0 40 GHAB C[C@@H](C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1)n1cncn1 24584202 JMLAFMSJSZSAAR-AWEZNQCLSA-N 383.477 3.501 0 40 GHAB O=C(c1ccccc1OCc1ccccc1)N1CCN(Cc2cccnc2)CC1 24601356 ZTFRACJMCKPZNS-UHFFFAOYSA-N 387.483 3.619 0 40 GHAB Cc1nc(C2(NS(=O)(=O)c3ccc4c(c3)CCCC4)CCCCCC2)no1 24689353 LKUWQNLOPKDLTI-UHFFFAOYSA-N 389.521 3.785 0 40 GHAB CNC(=O)C1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 24781989 XTOQTZJNVNXADS-NRFANRHFSA-N 375.472 3.550 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)c2C)c(Cl)c1 24751411 WRPNAKBECAGAIV-UHFFFAOYSA-N 380.897 3.524 0 40 GHAB CCN1C[C@@H](CN(C)C(=O)c2cnc3onc(C(C)C)c3c2)Oc2ccccc21 25396919 LJQRIOHHJVBNQB-MRXNPFEDSA-N 394.475 3.706 0 40 GHAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3N3CCCN23)cc1 101309877 YBTVMJIMSMRMBB-XPWALMASSA-N 397.478 3.684 0 40 GHAB COC(=O)c1cccc(CS[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)c1 25689444 UPBOKBCCJSOYMV-ZDUSSCGKSA-N 389.473 3.751 0 40 GHAB CCOC(=O)N[C@H](CC(=O)Nc1ccc2c(C)cc(=O)oc2c1)c1ccccc1 107680329 RRUXZWQLTCXVSV-GOSISDBHSA-N 394.427 3.917 0 40 GHAB COC(=O)c1cn(CC(=O)N(Cc2ccc(F)cc2)C2CC2)c2ccccc12 21068980 PCJVATAPWKRGTI-UHFFFAOYSA-N 380.419 3.758 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 23140306 BNBDFECNQAMUMI-HNNXBMFYSA-N 383.473 3.755 0 40 GHAB CCCc1cc(=O)oc2cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc12 2147553 FJGHLAJVQQLQAS-LBPRGKRZSA-N 375.421 3.564 0 40 GHAB biogenic CN(CCCNC(=O)N[C@@H]1CCSc2ccc(F)cc21)CC(F)(F)F 45233485 PAZWSABHBVOQQY-CYBMUJFWSA-N 379.423 3.546 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C 78934675 QPPODUQULFVCKV-HIFRSBDPSA-N 382.888 3.623 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccccc1F 12746902 NGUZVJGXVYRHQC-LJQANCHMSA-N 398.390 3.662 0 40 GHAB Cc1ccccc1CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 12789329 DPAGVTYCGXKFTP-UHFFFAOYSA-N 381.501 3.731 0 40 GHAB CCn1cc(CNc2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)n2)cn1 36613710 KWVLKANTBXOXTI-UHFFFAOYSA-N 389.406 3.927 0 40 GHAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(Cn2cncn2)cc1 11213284 UQWOJERWPAJABE-KRWDZBQOSA-N 384.892 3.947 0 40 GHAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3517531 COEVVSFHUSOQQZ-UHFFFAOYSA-N 384.501 3.602 0 40 GHAB Cn1c(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)n[nH]c1=S 12981091 HHAXXRJRNXQSHC-UHFFFAOYSA-N 383.861 3.570 0 40 GHAB CCOC(=O)[C@](NC(=O)Nc1ccccc1)(c1ccc(F)cc1)C(F)(F)F 4208163 CACCNRXJHBKPLU-QGZVFWFLSA-N 384.329 3.968 0 40 GHAB Cc1nc(NC(=O)C(c2ccccc2)c2ccccc2)sc1C(=O)N(C)C 6254984 SBDDDRBXHIAHOG-UHFFFAOYSA-N 379.485 3.924 0 40 GHAB O=C(CSc1nnnn1-c1cccc(F)c1)c1ccc(Br)cc1 5219942 LLARPSGONCWOPK-UHFFFAOYSA-N 393.241 3.539 0 40 GHAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1nnc2ccccn12 14197118 IISJFOBBZISXEK-AWEZNQCLSA-N 397.287 3.562 0 40 GHAB C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1Cl 14248227 DOWRTKPHTZMJOZ-GFCCVEGCSA-N 393.270 3.986 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)NCCc3nc4ccccc4s3)c2O1 6548443 JRLSMKYLZKCIFM-UHFFFAOYSA-N 382.485 3.748 0 40 GHAB COc1cc(/C=C/C(=O)NCCOc2ccc(C)cc2)ccc1OC(F)F 6509855 QGKACXGNDDHFOU-UXBLZVDNSA-N 377.387 3.813 0 40 GHAB CCN(C(=O)COn1nnc2ccc(Cl)cc21)c1cccc2ccccc12 14352122 PUNSMPYICGWDQA-UHFFFAOYSA-N 380.835 3.720 0 40 GHAB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(c(C(=O)O)cn2-c2ccc(F)cc2)N1 66087843 HVTMBIFIUFZFCC-AWEZNQCLSA-N 394.358 3.517 0 40 GHAB Cn1c(SC[C@H](O)COc2ccc3ccccc3c2)nc2sccc2c1=O 66238943 PMZISMFQGQPGCQ-OAHLLOKOSA-N 398.509 3.680 0 40 GHAB C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1 14777497 FVHGZXQLPRCRKU-ZDUSSCGKSA-N 392.850 3.802 0 40 GHAB C[C@@H](c1ccc(Cl)cc1)n1c(Cn2ncc3ccccc3c2=O)n[nH]c1=S 6719633 ZHABJSYLGZNAKP-LBPRGKRZSA-N 397.891 3.962 0 40 GHAB Cc1sc2nc(CSc3nc(-c4cccs4)n[nH]3)[nH]c(=O)c2c1C 4829910 FZWFXQDTCGUKMD-UHFFFAOYSA-N 375.504 3.740 0 40 GHAB Cc1ccc2c(COC(=O)/C=C/c3ccc4c(c3)OCO4)cc(=O)oc2c1C 4836420 UKIADOTZMGXPQF-VMPITWQZSA-N 378.380 3.895 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)Cc1ccc2c(c1)OCCO2 6945608 JVVJXFVXIXNGGR-AWEZNQCLSA-N 379.412 3.605 0 40 GHAB CCCOc1ccc(CNC(=O)c2n[nH]nc2Nc2ccc(C)c(C)c2)cc1 67283897 OICNLRXTJCKTDG-UHFFFAOYSA-N 379.464 3.884 0 40 GHAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc2[nH]ccc2c1 8764561 AVGIEKXENZINDW-UHFFFAOYSA-N 380.835 3.600 0 40 GHAB biogenic CN(C)c1cc(C(F)(F)F)nc(N2CCC(OCc3ccccc3)CC2)n1 97043090 MERPFSCOBPHVKD-UHFFFAOYSA-N 380.414 3.747 0 40 GHAB Cc1ccc(-n2nccc2-c2nc(C(=O)NCC(C)(C)C)c3cnccn23)cc1 306124759 BYNLOQJHCLNCNW-UHFFFAOYSA-N 388.475 3.666 0 40 GHAB Cc1c(C)n(Cc2cccnc2)c2ncn3nc(COc4ccccc4)nc3c12 9061029 SPHUDSCBBUZYTP-UHFFFAOYSA-N 384.443 3.718 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(F)cc2)c(C)c1 9237543 RXMGXAKKIWODBA-ZWKOTPCHSA-N 397.479 3.740 0 40 GHAB CCN(CC)C(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 9239037 VUKKSQHLQDSKMP-ROUUACIJSA-N 393.516 3.573 0 40 GHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1cn2ccsc2n1 84795657 IAOOTTYYNXROQQ-UHFFFAOYSA-N 375.475 3.693 0 40 GHAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2cccc(Cl)c2)CC1 408678951 LCWAZOVFKIABBU-GOSISDBHSA-N 376.859 3.985 0 40 GHAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ccccc1Cl 35476461 VKYPTJPBXXAXEZ-INIZCTEOSA-N 379.865 3.637 0 40 GHAB C[C@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C[C@H](C2CC2)O1 547764901 RXSCWJAXSKHHPS-OXJNMPFZSA-N 388.471 3.574 0 40 GHAB CC[C@@H]1CCC[C@H](CCCNC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)N1 1505840647 LCDSFEBAJCEZQM-BFGFKNPTSA-N 393.616 3.771 0 40 GHAB CCN(CC)[C@H](CNC(=O)/C=C/c1cc(OC)cc(OC)c1)c1ccccc1 32902457 HTJCVZFNUUAYET-CHHLAKQQSA-N 382.504 3.916 0 40 GHAB COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H](C(C)C)n1cccc1 524731367 UKIPKTSOEJSXEW-BHDDXSALSA-N 389.584 3.815 0 40 GHAB biogenic O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)[C@H]1CCCC[C@H]1C(=O)O 32610029 PCULGVGHWNMKOC-UONOGXRCSA-N 379.819 3.553 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCCc1ccc(OC)c(OC)c1 219563944 AWYGXNIUIRDBHL-QGZVFWFLSA-N 387.476 3.619 0 40 GHAB Cc1cc2nc(C3CCN(Cc4ccncc4)CC3)cc(C(F)(F)F)n2n1 72340754 OBQHCWKSRFINJZ-UHFFFAOYSA-N 375.398 3.831 0 40 GHAB Cc1ccc(-c2nnc3sc(NC(=O)COc4ccc(C)c(C)c4)nn23)cc1 41076456 MTBFSGTYPXRUEH-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB CC[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1)c1ccc(C)c(C)c1 222485398 ZKEBNUAOOZPVSR-IBGZPJMESA-N 388.533 3.889 0 40 GHAB CC(C)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224227291 QDKAKGWGVSBYLN-UHFFFAOYSA-N 380.897 3.551 0 40 GHAB CCCSc1nnc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)s1 225685055 RLKXNALEXRDYMQ-UHFFFAOYSA-N 387.552 3.973 0 40 GHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cc1 223006439 ZFKLOUKJJVBMQL-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB Cc1ccccc1N(CCCC(=O)NC1CCCCCCC1)S(C)(=O)=O 222557920 UFFXQBIPONVACD-UHFFFAOYSA-N 380.554 3.770 0 40 GHAB COc1cccc(CCC(=O)N2CCC(C(=O)c3ccccc3)CC2)c1OC 40039020 ZYGIGWPQDAREQR-UHFFFAOYSA-N 381.472 3.758 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 220129891 XIWZYDUQOOBBJQ-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB Cc1ccccc1CN(c1cccc(F)c1)S(=O)(=O)c1ccc2nncn2c1 49408433 SMTNKLPJBAWYBO-UHFFFAOYSA-N 396.447 3.572 0 40 GHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc21 225704881 DOGKDJFLFDUTOH-UHFFFAOYSA-N 396.921 3.776 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccccc2F)cc1NC(=O)C(C)C 225724804 MBZZWORLUJVDKE-UHFFFAOYSA-N 382.482 3.943 0 40 GHAB CCOC(=O)/C=C/c1cc(Br)ccc1I 83291638 NRIUVMZSQXMKEV-ZZXKWVIFSA-N 381.007 3.630 0 40 GHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(CN2CCOCC2)cc1 224572920 CRNFKBUVOJPEEI-JOCHJYFZSA-N 396.531 3.609 0 40 GHAB Cc1cccc(-c2noc(CNC(=O)COc3cccc(C(F)(F)F)c3)n2)c1 225814954 MTLUUDPVVXPZSS-UHFFFAOYSA-N 391.349 3.759 0 40 GHAB COc1ccccc1OC[C@@H](C)NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 149865781 JEUGOXHZRCPJHT-QGZVFWFLSA-N 393.487 3.754 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 244423988 YVFSZCRNDRFGMH-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB Cc1cc(-c2ccc(C(=O)O)cc2)nc(CC2CCN(C(=O)C(C)(C)C)CC2)n1 257231876 GINDWYKEOSQHHQ-UHFFFAOYSA-N 395.503 3.977 0 40 GHAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)c1cc(-c2ccco2)on1 253406400 UKXCNBKYIAWRBV-GOSISDBHSA-N 386.454 3.724 0 40 GHAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cccc(O)n3)o2)c1 257304466 SLUKDGOBFOTDLO-LJQANCHMSA-N 393.443 3.742 0 40 GHAB CN(C)CC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1ccccc1C(F)(F)F 65492167 LRBCKZQHPRSAHQ-OAHLLOKOSA-N 391.393 3.680 0 40 GHAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)c1ccccc1Br 390828975 VMAQWPUCJLYIBZ-KRWDZBQOSA-N 392.274 3.770 0 40 GHAB O=C(c1ccoc1)N1CCC[C@]12CCCN(c1ncnc3ccsc13)CC2 585100780 WHGPUEAJDFJQSY-FQEVSTJZSA-N 382.489 3.950 0 40 GHAB Cc1ccc(-n2nc(C(=O)Nc3ccc(N(C)C)cc3C)ccc2=O)cc1Cl 47182552 XEVYCFUVANXOHF-UHFFFAOYSA-N 396.878 3.821 0 40 GHAB Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](c4nc[nH]n4)C3)cn2)c1C 644999282 ALEISEWAZZVBQF-OAHLLOKOSA-N 378.436 3.630 0 40 GHAB CCN1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2Cl)CC1 5644237 WPJLNFBKOAGAOJ-UHFFFAOYSA-N 385.122 3.791 0 40 GHAB O=C(CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1)NCc1ccccc1 5219143 MIALHLQCIHKELS-NHTMILBNSA-N 396.506 3.810 0 40 GHAB COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3OC)[C@@H](C)C(=O)[C@H]2C)c(OC)c1 5487267 CDLFHAJPNMKGLG-IETVQMFBSA-N 399.487 3.948 0 40 GHAB Cc1ccc(-c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)cc1C 11695295 FYGTXKZSJKONNB-UHFFFAOYSA-N 378.501 3.784 0 40 GHAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)N1CCCCC1 15673315 VXXKGJZMRNEQRQ-ROUUACIJSA-N 385.483 3.652 0 40 GHAB biogenic,in-vitro Cc1ccc(OCC(=O)N2N=C(c3ccccc3)C[C@]2(O)C(F)(F)F)cc1C 16312571 GIOFYWCCZGWBKN-IBGZPJMESA-N 392.377 3.570 0 40 GHAB Cc1ccc([C@H](NC(=O)c2cc(C(F)(F)F)nn2C)c2ccncc2)cc1C 19213604 PKAANASGVCOBOS-GOSISDBHSA-N 388.393 3.970 0 40 GHAB COc1c(C)cccc1CN1CCC([C@@H](NC(=O)C2CC2)c2ccccn2)CC1 19235923 KOGBJVLSLOBOPB-JOCHJYFZSA-N 393.531 3.878 0 40 GHAB O=C(NCc1nc(-c2ccncc2)n[nH]1)C1(c2ccc(Cl)cc2)CCCC1 19332919 WNMYMLOSFZLBFG-UHFFFAOYSA-N 381.867 3.648 0 40 GHAB CCc1nn(C)c(C(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2C)c1C 19521023 CKVGGFHWNFXKEO-LJQANCHMSA-N 392.507 3.752 0 40 GHAB COc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)C2CC2)c2ccccn2)C1 19570206 AOBDGEUISKTNJI-DENIHFKCSA-N 379.504 3.570 0 40 GHAB Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)n1 19573044 HVKXRRCIOOBWAB-IEBWSBKVSA-N 383.492 3.640 0 40 GHAB COc1ccc(/C=C/C(=O)OCCOC(=O)/C=C/c2ccc(OC)cc2)cc1 1633881 IMOSGDDWXALCOH-FNCQTZNRSA-N 382.412 3.517 0 40 GHAB O=C(Nc1nnc(C2CCCCC2)s1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 12928697 KDTSLQKASVMIHF-MRXNPFEDSA-N 384.505 3.573 0 40 GHAB O=C(CSc1nnc(NC(=O)c2cccs2)s1)Nc1ccccc1F 4078075 QNEQSEAWIJVWTR-UHFFFAOYSA-N 394.478 3.722 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc2c(c1)OCCO2 4194611 MWBUJTUQKMCWOF-UHFFFAOYSA-N 382.397 3.562 0 40 GHAB Cc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccc(Cl)cc3)c2=O)cc1 5055070 OHLGLIXMVCDEGN-UHFFFAOYSA-N 391.858 3.617 0 40 GHAB CCc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 5252892 GBZWVSOCHVMYOO-UHFFFAOYSA-N 391.471 3.515 0 40 GHAB O=C(NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1c(F)cccc1F 9040254 HATKLHIDOWCSJC-NSHDSACASA-N 379.794 3.793 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC[C@@H](n2cnc3ccccc32)C1 575615279 CSCZNPNZMJMCBC-QGZVFWFLSA-N 389.434 3.663 0 40 GHAB CCC(CC)C(=O)N1CCC(c2nc3cc(OC)c(OC)cc3cc2N)CC1 12087936 MZJMGRMHHVGTIQ-UHFFFAOYSA-N 385.508 3.976 0 40 GHAB COC(=O)[C@H](c1ccccc1Cl)N(C)Cc1ccccc1N1CCOCC1 40051355 UHOFSDAQGXUKGE-FQEVSTJZSA-N 388.895 3.523 0 40 GHAB Cc1ccn2c(NC(=O)COCC(F)(F)F)c(-c3ccc(F)cc3)nc2c1 40130986 LGYMUDIXUBMQEH-UHFFFAOYSA-N 381.329 3.966 0 40 GHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3nnc(C4CC4)s3)c12 30611741 UPSDJJVSYZSPOO-UHFFFAOYSA-N 390.472 3.925 0 40 GHAB CC(C)COCCC(=O)Nc1ccnn1Cc1ccc(Br)cc1 31745863 YQPFRPKOLBALKT-UHFFFAOYSA-N 380.286 3.695 0 40 GHAB CC(=O)c1c(C)cc(C)c(CN2C[C@H](C(=O)N(C)C)Oc3ccccc32)c1C 29147354 LBMJJJYIUTVRGJ-OAQYLSRUSA-N 380.488 3.670 0 40 GHAB CCC[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(N)=O)C1 2503069 PGUVBNVKYICMFT-NSHDSACASA-N 386.473 3.733 0 40 GHAB CCOC(=O)c1nnn(Cc2ccccc2Cl)c1NC(=O)Nc1ccccc1 2507073 ALKFAUNEBBXSGX-UHFFFAOYSA-N 399.838 3.801 0 40 GHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CCC(c3ccccc3)CC1)C2=O 32367202 QRGDPKYXIGIPHF-UHFFFAOYSA-N 390.483 3.777 0 40 GHAB COc1ccc(CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1OC 1465461 LQEOEIGJHUOJSY-UHFFFAOYSA-N 396.468 3.712 0 40 GHAB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl 3436908 ULRPFPLAIVDKQA-SECBINFHSA-N 382.199 3.906 0 40 GHAB O=C(COC(=O)CCc1ccccc1)Nc1nc2c(F)c(F)c(F)cc2s1 2634993 FHHPQYMJHYMIJL-UHFFFAOYSA-N 394.374 3.828 0 40 GHAB O=C(Nc1ccc(OC[C@@H](O)Cn2cnc3ccccc32)cc1)c1ccccc1 4933070 VORGCTCTAAVHMN-IBGZPJMESA-N 387.439 3.729 0 40 GHAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(Br)o1 32871765 BTHQXXNWYGYCLY-UHFFFAOYSA-N 387.237 3.838 0 40 GHAB Cc1cc(=O)n2c(n1)NC(Nc1ccc(C(C)C)cc1)=N[C@@H]2c1ccc(O)cc1 7495794 HLFKVBPJEAGZMR-FQEVSTJZSA-N 389.459 3.821 0 40 GHAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 7987078 UNFYHMUGUMYVLP-FQEVSTJZSA-N 397.496 3.912 0 40 GHAB COc1ccc(-c2nn3c(O)cc(CCc4c(C)n[nH]c4C)nc3c2C)cc1 100775733 HBCCCYLGOMFKPT-UHFFFAOYSA-N 377.448 3.544 0 40 GHAB COc1cc(OC)c(C2=CCN(C(=O)c3cccc(N(C)C)c3)CC2)c(OC)c1 11918562 IHUCJMCPCZRTSV-UHFFFAOYSA-N 396.487 3.708 0 40 GHAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(OC)c(OC)c2)cc1OCC 8294705 ZUSIHWBDNBRKAM-HNNXBMFYSA-N 387.476 3.921 0 40 GHAB CC(C)C(=O)NC(=S)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 8902875 YEDGNHIWVNGCGE-UHFFFAOYSA-N 388.474 3.611 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3ccc(OC[C@@H]4CCCO4)cc3)CC2)c1 21841012 CUKMWXRDQNTMHP-QFIPXVFZSA-N 380.488 3.515 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3F)n2C)c1 687623 PPYALDBQMSWULB-UHFFFAOYSA-N 386.452 3.572 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)c1nc(C(F)(F)F)nc2ccccc12 60846719 GZQNZLBTBPPFFX-GFCCVEGCSA-N 375.350 3.925 0 40 GHAB O=C(NC1CCCCCC1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 20889063 IXPSDBAMOLHBSU-UHFFFAOYSA-N 398.528 3.891 0 40 GHAB CC(=O)c1cccc(NC(=O)CCS[C@H]2CCc3ccccc3NC2=O)c1 12391427 WRZPSJIKXKLFIK-IBGZPJMESA-N 382.485 3.905 0 40 GHAB O=C1OC(c2ccc(F)c(F)c2)=N/C1=C/C=C/c1cn(Cc2ccccc2)nn1 57996519 DRTBDSSVLYIVEF-SIARZVSRSA-N 392.365 3.505 0 40 GHAB CC(C)CC(=O)N1CC2(C(C)C)CN(C(=O)CC(C)C)CC(C(C)C)(C1)C2=O 910043 UHWIZBQCCXNFKQ-UHFFFAOYSA-N 392.584 3.617 0 40 GHAB biogenic COc1cccc(C(=O)NC(=S)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1 20152616 BFEUMANUUKCBRE-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB CCC(CC)c1nnc(NC(=O)CCCn2cnc3c(C)cccc3c2=O)s1 24694122 WYIDSINAKHNVBM-UHFFFAOYSA-N 399.520 3.879 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC[C@H]3c3ccncc3)C2)cc1 25094446 WOYHFVIIKYKEOX-RTWAWAEBSA-N 377.488 3.606 0 40 GHAB CCCn1nccc1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 28245403 VPFJUOFBKXBXIC-UHFFFAOYSA-N 377.370 3.809 0 40 GHAB COc1ccccc1-c1nn2c(O)cc([C@H](C)Cn3nccc3C)nc2c1C 100775741 BNQNDFCBECZBSZ-CYBMUJFWSA-N 377.448 3.728 0 40 GHAB Cc1ccc(N(CCCC(=O)Nc2cccc(F)c2)S(C)(=O)=O)cc1C 10369744 UVGOJTLAVMXSFW-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB C[C@@H]1C[C@@H](Sc2nnc(Cc3cccs3)n2CCc2ccccc2)C(=O)O1 57709754 VHTAWNVRRZUTPW-RHSMWYFYSA-N 399.541 3.969 0 40 GHAB CS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 44838322 SSHZPCHCHQKJSZ-UHFFFAOYSA-N 391.452 3.886 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)CC[C@@H]2CCCO2)no1 58217851 XKEMPPHKUSIBKU-BBRMVZONSA-N 375.494 3.748 0 40 GHAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2c(c1)OCCO2 408628782 XNNKOCGCUVFGST-UHFFFAOYSA-N 399.255 3.597 0 40 GHAB CCc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4 2208044 NRJFTMQVNLKKLE-UHFFFAOYSA-N 394.500 3.568 0 40 GHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1ccc(C(=O)OC)cc1 12685874 IYKOLNUCELNHLY-DHZHZOJOSA-N 395.415 3.568 0 40 GHAB Cc1cc(=O)oc2cc(OC(=O)CCNC(=O)OC(C)(C)C)c(Cl)cc12 2387612 OJILQAOLORKLNP-UHFFFAOYSA-N 381.812 3.575 0 40 GHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(F)cc1F)CC3 45312681 GNYXXEHOFWUTEI-UHFFFAOYSA-N 385.370 3.823 0 40 GHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C)ccc1OCc1ccncc1 28923077 NWGIXEGSTHZOAG-OAQYLSRUSA-N 375.428 3.866 0 40 GHAB NC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1 12758680 XMVNHNPPPIGMJI-FCHUYYIVSA-N 387.483 3.886 0 40 GHAB Cc1cc(C)cc(CN2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)c1 306132116 KZBHBOROIMSMNP-HSZRJFAPSA-N 399.498 3.982 0 40 GHAB Cc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1C 8583062 RITYWKJPZMUFOD-UHFFFAOYSA-N 384.487 3.759 0 40 GHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)C(C)C)C1=O 3596131 BWZDSDVNKMGORL-QHCPKHFHSA-N 393.487 3.675 0 40 GHAB O=C(N[C@H]1CCc2ccccc21)c1nn(-c2ccccc2)c(=O)c2ccccc12 12988166 HMKMEKUMVBTPBL-NRFANRHFSA-N 381.435 3.803 0 40 GHAB O=C1C[C@@H](C(=O)Nc2ncc(Cc3ccccc3)s2)c2ccc(F)cc2N1 12923792 JLIYNZYCHDHLIT-MRXNPFEDSA-N 381.432 3.938 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NCc2ccccc2Cl)c1 12902399 QESYJOGHPHTBJI-LJQANCHMSA-N 388.895 3.811 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3)C2)s1 13012477 ODUSYHRJWNRFMM-ZDUSSCGKSA-N 398.937 3.749 0 40 GHAB O=C(Nc1cccc(Cl)c1)[C@H]1CSCN1C(=O)OCc1ccccc1 408736413 BWDYJBQTNSSOQW-MRXNPFEDSA-N 376.865 3.990 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)[C@H]1COc2ccc(Cl)cc2C1 8012098 DPGBQSQNXNILFX-LJQANCHMSA-N 384.907 3.803 0 40 GHAB C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-n2ccnc2)cc1 8012685 MSSLBDVYBPIQMK-VGSWGCGISA-N 391.471 3.921 0 40 GHAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cnc2ccccc2n1 8037667 HNNGEAPTTTWRTQ-UHFFFAOYSA-N 379.445 3.794 0 40 GHAB Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)c(C)c1 20236726 NTQDZILXJSNZJT-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB O=C(COc1ccc(Cl)cc1Br)Oc1ccc2c(c1)OCO2 6212760 JJBUSEGXFHLUOY-UHFFFAOYSA-N 385.597 3.816 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 8393891 BVTMDOGIEHNDPF-XLIONFOSSA-N 386.904 3.547 0 40 GHAB c1ccc(SCc2nnc3sc(Cc4ccc5c(c4)OCCO5)nn23)cc1 8393287 GAOXTLSQTVJWRA-UHFFFAOYSA-N 396.497 3.840 0 40 GHAB C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1cc(F)c(Cl)cc1Cl 14183245 XFDQWLPIUCXBBX-SECBINFHSA-N 394.233 3.789 0 40 GHAB O[C@H](CSc1nnc(-c2ccncc2)n1CC(F)(F)F)c1ccccc1F 65695083 UVEPBLXJEUCVTN-CQSZACIVSA-N 398.385 3.867 0 40 GHAB CCOCCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 4664544 JIUSEBDGEGFCHS-QFIPXVFZSA-N 398.528 3.617 0 40 GHAB CCc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2)cc1 6811924 KXUPZCOUFRXALC-RTBURBONSA-N 393.516 3.801 0 40 GHAB COC(=O)c1cn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12 6832013 IAMOFIAMMWXHBC-UHFFFAOYSA-N 392.333 3.965 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccccc2Cl)c2ccc(Cl)cc21 4988084 JAVHWMIZCHSTIV-IBGZPJMESA-N 394.254 3.586 0 40 GHAB Cc1ccc(Cn2cnc3c(cnn3-c3ccc(Br)cc3)c2=O)cc1 67257905 DAIJJDSVMKATLX-UHFFFAOYSA-N 395.260 3.701 0 40 GHAB CCCn1nc(C(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc2c1=O 7263275 SJCWMHGAPIOQHQ-UHFFFAOYSA-N 389.377 3.755 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)O[C@@H](C)C(=O)Nc1ccccc1 18746835 JBUIAXPVAHOTAC-YWZLYKJASA-N 378.428 3.521 0 40 GHAB CCOc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 61646466 BNGCPRNUNGPODT-CYBMUJFWSA-N 378.266 3.932 0 40 GHAB COc1ccc2[nH]/c(=N/C(=O)c3cc(=O)c4cc(C)c(C)cc4o3)sc2c1 9089622 QZMMQTSIXLFUGV-UHFFFAOYSA-N 380.425 3.702 0 40 GHAB CCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1c1cccc(OC)c1OC 9111524 QRWLYUYVMALVOW-LJQANCHMSA-N 393.443 3.884 0 40 GHAB O=S1(=O)N[C@H](Cc2ccc(-c3cccc(Cl)c3)o2)[C@H](O)c2ccccc21 9530873 OXOQJMFWMFMSDI-VQIMIIECSA-N 389.860 3.537 0 40 GHAB O=S(=O)(NC[C@H](c1cccs1)N1CCCC1)c1ccc(F)cc1Cl 71849025 TYFJTMSWSMBNGJ-CQSZACIVSA-N 388.917 3.656 0 40 GHAB CN(Cc1csc(Br)c1)C(=O)c1c[nH]c2ccccc2c1=O 83862041 HEZGFZFBVMRFHD-UHFFFAOYSA-N 377.263 3.624 0 40 GHAB CC(C)CN1C[C@H](C(=O)Nc2ccc(Oc3cccc4[nH]ccc34)nc2)CC1=O 72402818 AJIIZBFFMZUHFY-OAHLLOKOSA-N 392.459 3.798 0 40 GHAB C[C@H]1Sc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2NC1=O 9656767 JMKVACLMQNWKIL-SNVBAGLBSA-N 382.470 3.890 0 40 GHAB CC(C)COC1CCN(c2ccc(C(=O)N3CCc4ccccc43)cn2)CC1 95958798 OLDOMTPIAXUYEE-UHFFFAOYSA-N 379.504 3.926 0 40 GHAB COc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@@H](c2cccc(Cl)c2)C1 79106094 DRBTXDAJIHORAH-QGZVFWFLSA-N 386.835 3.891 0 40 GHAB NC(=O)c1cnc(NCC2(c3ccc4c(c3)OCCO4)CCCC2)c(Cl)c1 89800402 JILIKBKMXBLEHE-UHFFFAOYSA-N 387.867 3.529 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20485149 FTTBPVUPSFATHJ-QGZVFWFLSA-N 398.528 3.594 0 40 GHAB COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(C(=O)C4CC4)C3)nn2c1 306137519 QYTWDUQWZQPNFL-INIZCTEOSA-N 394.450 3.660 0 40 GHAB Cc1ccc(-c2noc(CCNC(=O)[C@@H](C)Oc3cccc(C)c3C)n2)cc1 32623912 KISKHCIFTZIPJV-QGZVFWFLSA-N 379.460 3.788 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccccc3[nH]2)c1 408580881 FDFQQIZLORXULW-UHFFFAOYSA-N 375.837 3.734 0 40 GHAB NC(=O)c1cn(CC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c2ccccc12 516695089 UROGDMHALLIPBA-XLIONFOSSA-N 375.472 3.583 0 40 GHAB N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 72227280 RNIIVAGDINZTNI-ZIAGYGMSSA-N 396.082 3.627 0 40 GHAB COc1cccc(C2=NN(C(=O)c3cccc(C)c3)[C@@](O)(C(F)(F)F)C2)c1 32101319 MXDUGJTVRSSOFQ-SFHVURJKSA-N 378.350 3.505 0 40 GHAB COC(=O)c1cccc(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 32775996 PVVQVGAOTZHMHV-QGZVFWFLSA-N 381.472 3.722 0 40 GHAB COc1ccc2oc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cn3)c(C)c2c1 32910483 SLFIMESEZUPYOL-NSHDSACASA-N 388.807 3.982 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(F)ccc2Cl)cc1OC 72330821 BVXBCAGGYVLYRQ-XBXARRHUSA-N 393.798 3.691 0 40 GHAB O=C(Cc1cccc(F)c1)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 72334957 IPRFCQGGIQLLNB-QGZVFWFLSA-N 397.475 3.517 0 40 GHAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCNC(=O)c2ccc(Br)cc21 425566147 HPRSDXNKPOXICN-DLBZAZTESA-N 399.288 3.638 0 40 GHAB CC[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(OC)c(OC)c1 225719380 SBWBQVUBNXHMBJ-OAHLLOKOSA-N 388.489 3.913 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 225440913 JGEIWMIPYHQJDA-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc3ccccc3c2)cc1 222773742 NBXUBWUXHCICCR-UHFFFAOYSA-N 382.485 3.556 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NC3CCCC3)ccc2C)cc1 224303370 PDMMGISBXZURLJ-UHFFFAOYSA-N 386.517 3.801 0 40 GHAB Cc1cc(=O)c(O)c(C(c2ccc(OC(C)C)cc2)c2oc(C)cc(=O)c2O)o1 85878282 MLORFUOCCQYOBZ-UHFFFAOYSA-N 398.411 3.588 0 40 GHAB biogenic Cc1ccc(S[C@@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224707439 GTMIZUBLHWRVQM-SFHVURJKSA-N 384.545 3.624 0 40 GHAB CCCCOc1ccc(NC(=O)N2CCN(CCn3nc(C)cc3C)CC2)cc1 77190870 JEKYOZDDGSTLDX-UHFFFAOYSA-N 399.539 3.529 0 40 GHAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 224571613 HCFNXULIRVATBM-IBGZPJMESA-N 396.531 3.726 0 40 GHAB CCS(=O)(=O)[C@@](Cl)(Br)C(=O)c1ccc(Cl)cc1Cl 96518209 XSHTYMWKPNLZQV-SNVBAGLBSA-N 394.501 3.898 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NC1CCN(c2ncnc3c2CCCC3)CC1 244950790 FLTNTJKADLNBHP-UHFFFAOYSA-N 396.922 3.807 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H]3C)CC2)on1 257317736 VKXXBBFFXCIHKQ-HJWJTTGWSA-N 397.523 3.552 0 40 GHAB C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)C(=N)NC3 252516344 SDIGNZADDDFEPI-OPLSMLHISA-N 384.520 3.728 0 40 GHAB biogenic,in-vitro FC(F)(F)c1ccc([C@H]2CCCCN2Cc2nnc3n2CCOCC3)cc1 1614994941 YRPZYUXACHYJAT-MRXNPFEDSA-N 380.414 3.597 0 40 GHAB O=C([C@H]1Cc2ccccc2S1)N1CCN(Cc2cc3ccccc3[nH]2)CC1 629384633 AYBSLZUTJUVSAT-OAQYLSRUSA-N 377.513 3.529 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@]1(C)Cc1ccccc1F 648524273 APQXLTZYTAWXLM-NRFANRHFSA-N 389.492 3.775 0 40 GHAB O=C(COc1ccccc1F)NCC1(Sc2ccccc2)CCOCC1 96119001 SIIZDPZTRDHRFI-UHFFFAOYSA-N 375.465 3.662 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@@H](Oc2ncc(F)cn2)C1 390828539 RUAKMPQFPTXASY-LJQANCHMSA-N 392.434 3.568 0 40 GHAB CCCOc1cccc(C(=O)Nc2ccc(I)cn2)c1 105867178 XATYDONIDZCMDB-UHFFFAOYSA-N 382.201 3.727 0 40 GHAB CC(C)(C)c1ncc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)cn1 12088082 GLMOFLWUDLJRJR-INIZCTEOSA-N 389.503 3.924 0 40 GHAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(C)c(C)c3)CC1)O2 12293549 HFIBPYNGULSOGC-FCHUYYIVSA-N 381.516 3.996 0 40 GHAB CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)c1 12907218 XISMWJKMLLAKGA-MRXNPFEDSA-N 397.450 3.899 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1 13549386 JDGONMNNYHTKNM-QGZVFWFLSA-N 377.444 3.667 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)OCc1cc(F)cc2c1OCOC2 14801283 GKKXGKRDBBNZSH-UHFFFAOYSA-N 386.404 3.876 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(C(=O)CCC4CCCC4)[C@H]23)cc1 19019300 CAWZQIQCXVRLJV-CQOQZXRMSA-N 398.547 3.971 0 40 GHAB CC(C)C(=O)N1CCC[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1 19085398 WPBGWRLOWQWMKD-HSZRJFAPSA-N 382.479 3.785 0 40 GHAB COc1ccccc1-c1noc(C)c1C(=O)Nc1ccc(Cn2cncn2)cc1 19579689 BZPOIAJBQGYRAR-UHFFFAOYSA-N 389.415 3.551 0 40 GHAB CCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 19755635 DSUXFRUDKWYEBV-QGZVFWFLSA-N 382.464 3.510 0 40 GHAB O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc2c(c1)CCO2 156939064 VWYWZPOHTZXJBM-UHFFFAOYSA-N 375.215 3.761 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H]3C)CC2)on1 100743959 VKXXBBFFXCIHKQ-LLLHUVSDSA-N 397.523 3.552 0 40 GHAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(NCc3ccc(C)cc3)n2)c1 12337961 RZBVTYANZJBSAF-VQTJNVASSA-N 390.487 3.582 0 40 GHAB CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc(-n3ccnc3)cc2)cc1 23889314 LKZOKFHTTMXFIX-UHFFFAOYSA-N 390.487 3.928 0 40 GHAB CC(=O)Nc1cc(C(=O)CSc2nccn2Cc2ccccc2)ccc1O 26043160 DQKDUSGPCJXQDU-UHFFFAOYSA-N 381.457 3.570 0 40 GHAB O=C(CCn1nc(-c2cccs2)oc1=O)OCc1ccccc1C(F)(F)F 29746490 KPXLFBPIEZMQHH-UHFFFAOYSA-N 398.362 3.717 0 40 GHAB CCCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(CC)ccc21 4193391 LPMLIURHUDFORP-UHFFFAOYSA-N 385.485 3.815 0 40 GHAB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(Cl)c3)co2)n1 4377252 RSJUVUUXFGNOHH-UHFFFAOYSA-N 388.832 3.903 0 40 GHAB CCOc1cccc2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)c(=O)oc12 6867981 AUUQRVCHKOUESB-UHFFFAOYSA-N 378.340 3.637 0 40 GHAB O=C(NCc1cccc2ccccc12)NC[C@@H]1CN(c2ccccc2)C(=O)O1 8839157 RWCQAHFSJPGVNS-LJQANCHMSA-N 375.428 3.664 0 40 GHAB COc1ccc(N2C[C@H](C(=O)OCc3cc(-c4cccs4)on3)CC2=O)cc1 12236756 RAAHELJXGHVJJL-CYBMUJFWSA-N 398.440 3.508 0 40 GHAB COc1ccc(/N=c2/scc(-c3ccc(C)cc3)n2N2CCN(C)CC2)cc1 16739952 MLMQOZCVGOENFV-GHVJWSGMSA-N 394.544 3.649 0 40 GHAB Cc1nc2sc([C@H](c3ccccc3Cl)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 17144228 IQSWARWUUVMLHU-RWSFTLGLSA-N 392.912 3.657 0 40 GHAB COc1cccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)c1OC 1775975218 CKRQUTLRBHGKMH-KBPBESRZSA-N 375.856 3.562 0 40 GHAB CCc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)s2)s1 1775968242 ADEQVZPDYHBKJT-LBPRGKRZSA-N 383.516 3.644 0 40 GHAB Cc1nn(CCNC(=O)c2ccc3nsnc3c2)c(C)c1-c1cccs1 575612493 FVBGIKLWJSGKAI-UHFFFAOYSA-N 383.502 3.663 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OC(F)F)cc2)n2ncnc2N1 6849177 GSARNTPLGNCZET-KRWDZBQOSA-N 397.385 3.807 0 40 GHAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1 40158104 BIAFHMLWTBSCIV-UHFFFAOYSA-N 376.460 3.717 0 40 GHAB CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1 40112788 SHXHPDJBARATJS-INIZCTEOSA-N 377.444 3.511 0 40 GHAB OCCCNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 20327714 VNMQLIFSHHZFDN-UHFFFAOYSA-N 397.548 3.903 0 40 GHAB CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCCN2CCOCC2)CO1 20393371 WSTTVPCWHZZWSJ-UHFFFAOYSA-N 399.560 3.853 0 40 GHAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)c(C(N)=O)c1 31986120 BAKZSSREBIXXOS-CQSZACIVSA-N 378.403 3.998 0 40 GHAB O=C(Nc1cccc(CNc2cc(=O)n3ccccc3n2)c1)C1CCCCC1 68999137 VSWXZJKQFMTACM-UHFFFAOYSA-N 376.460 3.825 0 40 GHAB O=C(NCc1ccccc1OC(F)F)[C@@H]1CCCN(C(=O)c2cccs2)C1 32755457 JOPGTBLRHOPAKN-CQSZACIVSA-N 394.443 3.518 0 40 GHAB COc1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c(OC)c1OC 32754669 LDVUDJQKNVCUDU-UHFFFAOYSA-N 393.443 3.518 0 40 GHAB COc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)c(OC)c1 4909300 ZQBLWFFZMCNIIZ-LJQANCHMSA-N 383.835 3.922 0 40 GHAB CC(C)CC(=O)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 6563629 XCWPMMZKXWVRLO-UHFFFAOYSA-N 387.896 3.933 0 40 GHAB O=S(=O)(NCCc1ccc(F)cc1)c1ccc(Br)cc1Cl 7376539 KRLONNGVDKYLKC-UHFFFAOYSA-N 392.677 3.763 0 40 GHAB CCn1c(S)nc2cc(C(=O)Nc3ccc4ccccc4n3)ccc2c1=O 102404056 AOOPRKROUKVKPD-UHFFFAOYSA-N 376.441 3.506 0 40 GHAB CC(=O)Nc1ccc(F)c(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 52954294 ISRQXUCDFBOXBZ-UHFFFAOYSA-N 391.830 3.526 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1F)c1cccc(Cl)c1 8810174 KDSJVTRGSDNGGZ-UHFFFAOYSA-N 396.871 3.952 0 40 GHAB C[C@@H](Cc1cc(O)n2nc(-c3ccc(F)cc3)cc2n1)n1nnc2ccccc21 100775909 QTCHBTOPFDARHP-ZDUSSCGKSA-N 388.406 3.789 0 40 GHAB O=C(CN1CCOCC1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 21822378 WDPGDMJGEBMHRU-XMMPIXPASA-N 399.494 3.850 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN2c2ncnc3sccc23)c(Cl)c1 103002923 NUKIYMQOQZMRNB-OAHLLOKOSA-N 388.880 3.961 0 40 GHAB CS(=O)(=O)Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 8271240 PWVQXHUZXISQDK-SFHVURJKSA-N 377.893 3.766 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@H]3Cc4ccc(C)cc4S3)C2)nc1 46819697 UQONUDWFYFJHCO-PKOBYXMFSA-N 395.528 3.593 0 40 GHAB CCOc1ccc(-c2cc(C)n3nc(C(=O)NCc4ccco4)cc3n2)cc1 862860 DLGUPTADWWGMEC-UHFFFAOYSA-N 376.416 3.626 0 40 GHAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)[nH]n1 100750237 PBUXOSXRSYECEW-FVJLSDCUSA-N 383.540 3.767 0 40 GHAB Cc1cc(C)cc(NC(=O)CN(C)c2cccc3cccc(S(C)(=O)=O)c23)c1 101204568 WPDOSAAXPGDURF-UHFFFAOYSA-N 396.512 3.935 0 40 GHAB CCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)CC1 58148982 NDDOSXCZROIDEO-UHFFFAOYSA-N 388.515 3.934 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(SCC)nn2[C@@H]1c1ccc(Cl)cc1 938861 IXFLEDXFINIIJX-CQSZACIVSA-N 378.885 3.896 0 40 GHAB CNC(=O)C1(NC(=O)c2ccc(C3SCCCS3)cc2)CCCCC1 54319529 DYTAIDRYEQSMPW-UHFFFAOYSA-N 378.563 3.734 0 40 GHAB COc1cc(C(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc(OC)c1OC 1016819 OBXYOJFQRZOOIO-HNNXBMFYSA-N 396.399 3.890 0 40 GHAB O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCN(Cc2ccccn2)CC1 23882759 BITSZYHQWPAMMZ-UHFFFAOYSA-N 391.496 3.661 0 40 GHAB Cc1[nH]c2ccc(C(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)cc2c1C 23846918 KIAHNGZBMZFOHA-UHFFFAOYSA-N 389.499 3.678 0 40 GHAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 24259059 YYSAXHGXOIGRIE-GOSISDBHSA-N 379.287 3.797 0 40 GHAB Cc1nc(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)c(C(N)=O)c(C)c1C 24748858 KNIZIUNKCCDRGE-AWEZNQCLSA-N 397.500 3.821 0 40 GHAB O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@@H](O)COc1ccc(Cl)cc1 24969939 LMICDQCPULRMBY-GFCCVEGCSA-N 399.661 3.797 0 40 GHAB Cc1cc(CN2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)no1 12552646 GWKHTZYZEQELGP-UHFFFAOYSA-N 385.471 3.915 0 40 GHAB COc1ccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)cc1OC 3248075 GKWRDKNGWXNNSU-UHFFFAOYSA-N 393.468 3.752 0 40 GHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)OCC(=O)c1ccccc1 3262745 SIAAGICWGNJSQG-UHFFFAOYSA-N 388.832 3.908 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 10840120 RXIDSTIXRPETMG-DOMZBBRYSA-N 391.468 3.977 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(/NC(=O)c1ccccc1)C(=O)O 68606626 XCORADJBNMKYMZ-SFQUDFHCSA-N 381.819 3.690 0 40 GHAB CCCn1c(O)nnc1SC[C@H](O)COc1ccc(-c2ccccc2)cc1 10124575 IQDIMVOSRRDWCE-QGZVFWFLSA-N 385.489 3.593 0 40 GHAB O=C(NCc1ccccc1C(F)(F)F)c1ccn(COc2ccccc2)n1 27971728 GNILZEIXKPWRAC-UHFFFAOYSA-N 375.350 3.868 0 40 GHAB NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 27597965 RJOPGHQKQNKDFI-UHFFFAOYSA-N 379.652 3.547 0 40 GHAB Cc1ccc([C@@H](NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 2227151 HVERMCHFBRXIGA-JTSKRJEESA-N 398.462 3.885 0 40 GHAB O=C(COC(=O)c1[nH]c2ccccc2c1Cl)Nc1cccc2nsnc12 36394037 CSCJSONWPNYQBY-UHFFFAOYSA-N 386.820 3.622 0 40 GHAB COc1cc2c(cc1OC)-c1cc(Nc3ccc(Cl)cc3)nc(=O)n1CC2 2445933 VFIFHAAFXFJFRV-UHFFFAOYSA-N 383.835 3.881 0 40 GHAB Cc1cc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c2c(C)noc2n1 12777828 GJNRZNVVELHVME-NSHDSACASA-N 385.493 3.780 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnnn2C2CCCCC2)c1C 12801846 UIVRLQAHKISVGU-CYBMUJFWSA-N 375.498 3.689 0 40 GHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 3412116 QHPQPWXXRINYOL-NRFANRHFSA-N 399.878 3.753 0 40 GHAB CCc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 3553097 XXZJMHXJOOCWAS-UHFFFAOYSA-N 387.911 3.672 0 40 GHAB O=C(CCn1nnc(-c2cccc(F)c2)n1)Nc1cc(Cl)ccc1Cl 12916478 LEAUATBNQLRAMS-UHFFFAOYSA-N 380.210 3.815 0 40 GHAB Cc1cccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 12995783 BROLGTOWOMCYET-VMPITWQZSA-N 392.455 3.614 0 40 GHAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2Cc2ccccc2)c1)[C@H]1CCCO1 12987517 JJXQWGOUALFFHV-LEWJYISDSA-N 378.472 3.651 0 40 GHAB CC(C)c1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 3623145 FWBBHXVFWUSFJY-UHFFFAOYSA-N 378.925 3.974 0 40 GHAB Cc1ccc(NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCCC1 8316117 UVNIHCZVIBFTBK-UHFFFAOYSA-N 390.480 3.951 0 40 GHAB CC[C@H](C)c1c(O)nc(SCC(=O)Nc2cccc3ccccc23)[nH]c1=O 17086370 WUXFZVGQPXQEBS-LBPRGKRZSA-N 383.473 3.873 0 40 GHAB CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)NC[C@@H]1CCCO1 13426933 ZOUNMCZFYSIBQP-KZIRDTCISA-N 392.455 3.973 0 40 GHAB Cc1ccc(N(C(=O)CCCc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1C 4165407 OTXASVMCSNHWPB-OAQYLSRUSA-N 383.513 3.970 0 40 GHAB O=C1CCc2cc(C(=O)COC(=O)c3ccccc3C(F)(F)F)ccc2N1 8449152 LLOLUYBCOZCUAN-UHFFFAOYSA-N 377.318 3.630 0 40 GHAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H]3OC(C)(C)OC[C@]32C)[C@]12CC[C@@](CO)(CCO)O2 6183187 VKCTYACKTCTDRG-WUYUHMRZSA-N 396.568 3.653 0 40 GHAB biogenic O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1C[C@@H]1CCCO1 5215816 PQESHIPHIIOERK-DJJJIMSYSA-N 379.387 3.656 0 40 GHAB Cc1nc(C(=O)NCC2(N3CCCCC3)CCCCC2)nn1-c1ccc(F)cc1 14128667 BTDNYXUFTUITEQ-UHFFFAOYSA-N 399.514 3.633 0 40 GHAB O=C(Cc1ccccc1Cl)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 14186507 ZFPWGTHDYPQAJV-UHFFFAOYSA-N 398.846 3.740 0 40 GHAB O=C(CCCOc1ccc(Cl)cc1Cl)NCCc1nnc2ccccn12 5451254 IWTVITATYLYQCQ-UHFFFAOYSA-N 393.274 3.554 0 40 GHAB CCC(=O)Nc1ccc(C2=Nn3c(nnc3-c3ccccc3F)SC2)cc1 6507857 XSBWETGWQKCYPJ-UHFFFAOYSA-N 381.436 3.791 0 40 GHAB Cc1cccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1 4676913 QFJMTDOLYLLZDD-UHFFFAOYSA-N 395.522 3.695 0 40 GHAB Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1nccs1 5652283 XJBHODBYWAHNAI-UHFFFAOYSA-N 396.501 3.501 0 40 GHAB Cc1ccc(-n2c(C)nnc2S[C@H](C(=O)NC2CC2)c2ccccc2)cc1 6975606 HJMKHAYJJZSRPZ-IBGZPJMESA-N 378.501 3.996 0 40 GHAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Oc1ccc(-c2ccccc2)cc1 15190861 GWYMGSKZYFESJU-UHFFFAOYSA-N 392.455 3.904 0 40 GHAB Cc1cc(C)cc(N2C(=O)N(Cc3cc(C)ccc3C)[C@H]3CS(=O)(=O)C[C@@H]32)c1 7005789 ARMVPEUROMOTIZ-SFTDATJTSA-N 398.528 3.528 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc3ncccc23)c1 7263927 WEAHZRQCLFTMEN-UHFFFAOYSA-N 383.473 3.518 0 40 GHAB CCc1ccc(Cn2nccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 15613417 YMQHKPLRXCZQRY-UHFFFAOYSA-N 395.459 3.772 0 40 GHAB Cc1cccc(OCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1C 7824262 UEOJXCNJJGHCHT-UHFFFAOYSA-N 377.488 3.860 0 40 GHAB O=C(O)CCN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)c2ccccc2C1=O 96889696 ISGHVQCUOVHWAL-LFIBNONCSA-N 389.329 3.703 0 40 GHAB COCc1n[nH]c(-c2ccc(NC(=O)CCc3cn(C)c4ccccc34)cc2)n1 79492847 SFMMMDUWYNUALC-UHFFFAOYSA-N 389.459 3.681 0 40 GHAB CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccs4)s3)CC2=O)cc1 9197988 NJIQSVLJXSUPDX-ZDUSSCGKSA-N 398.513 3.935 0 40 GHAB Cc1ccc(Nc2nc(CSc3nnnn3C[C@@H]3CCCO3)cs2)cc1 9836783 BFGMRYRXPLVICJ-HNNXBMFYSA-N 388.522 3.653 0 40 GHAB c1csc(-c2cnc3n2CC[C@@]32CCN(Cc3ccc4c(c3)OCO4)C2)c1 306140115 UKKVCSBXYMLJBM-OAQYLSRUSA-N 379.485 3.888 0 40 GHAB CCc1nc2ccccc2n1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9377487 DQFSCEWHKZNPRU-SFHVURJKSA-N 391.471 3.734 0 40 GHAB CC(C)n1nc(CC(=O)Nc2ccc(F)c(F)c2F)c2ccccc2c1=O 72401095 SJPUKXVMCDSGNW-UHFFFAOYSA-N 375.350 3.576 0 40 GHAB O=C(COc1ccc2ccccc2c1)NC[C@H]1CCN(CCc2ccccc2)C1 95349626 QCCSIICVWFQTFZ-OAQYLSRUSA-N 388.511 3.899 0 40 GHAB COc1ccc(-c2cc(N3CCC(NC(=O)c4ccccc4F)CC3)[nH]n2)cc1 98212746 RTGCSQVZKUELHR-UHFFFAOYSA-N 394.450 3.623 0 40 GHAB COc1cccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccs3)c3ccccc32)c1 9926020 TYHSUGBXEKVYPS-QFIPXVFZSA-N 393.464 3.764 0 40 GHAB CN(C1c2ccccc2-c2ccccc21)S(=O)(=O)c1ccc(C(=O)O)c(F)c1 545558897 JJDIITFSHVYXEI-UHFFFAOYSA-N 397.427 3.914 0 40 GHAB COc1ccc(-n2ccnc(SCC(=O)Nc3ccc(C)c(C)c3)c2=O)cc1 4484299 PXODIUXNEFVYID-UHFFFAOYSA-N 395.484 3.589 0 40 GHAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)N2CCCCC2)cc1 408777051 UIOQUPNNUYJILL-UHFFFAOYSA-N 380.554 3.615 0 40 GHAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1Br 70636433 INBLJFVLMFSPLY-HNNXBMFYSA-N 388.183 3.629 0 40 GHAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1nn(-c2ccccc2)c2c1CCC2 32764869 UFJQGGFNLUSGAH-UHFFFAOYSA-N 386.455 3.962 0 40 GHAB O=C(CC1(N2Cc3ccccc3C2=O)CCSCC1)NCc1ccccc1F 1565524205 AYPHUQPMXFEPCI-UHFFFAOYSA-N 398.503 3.754 0 40 GHAB Cc1nc(C(=O)N2CCC(c3cccc(-n4ccnc4C(C)C)n3)CC2)co1 72378830 KQSPCOBABACFFZ-UHFFFAOYSA-N 379.464 3.707 0 40 GHAB Cc1ccc(C2(C(=O)N3CCN(c4ccc(F)cc4)CC3)CCOCC2)cc1 72265207 YOQYCXYIPWZETR-UHFFFAOYSA-N 382.479 3.531 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 223084336 DSCGPAKGOSFOBC-IBGZPJMESA-N 396.531 3.880 0 40 GHAB CNC(=O)Cn1ccc2ccc(NC(=O)N3CCc4cccc(F)c4[C@H]3C)cc21 525741661 AXEPVICUTOSQSL-CQSZACIVSA-N 394.450 3.678 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)c1C 225729960 GKZUZUIVAXKDKV-HOTGVXAUSA-N 391.581 3.826 0 40 GHAB COc1cccc(-c2cnc(CCC(=O)Nc3cccc(NC(C)=O)c3)o2)c1 224850603 VLQNGTXTKQZVOT-UHFFFAOYSA-N 379.416 3.880 0 40 GHAB COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222998044 YETRTPGQZGYMHP-HNNXBMFYSA-N 387.501 3.700 0 40 GHAB CCOc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc2ccccc2c1 225047616 OFCJDEPOEMSFDE-UHFFFAOYSA-N 399.468 3.607 0 40 GHAB Cc1cc2ccccc2n1CCNC(=O)c1ccc(OCCOC(C)(C)C)nc1 225728169 NMSOIRFIONDTLV-UHFFFAOYSA-N 395.503 3.969 0 40 GHAB CC(C)c1ccc2c(c1)CCCN2C(=O)CCn1cnc2ccccc2c1=O 40090496 NIFJRLIZDKTMFP-UHFFFAOYSA-N 375.472 3.889 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 225718585 VDPPGZBHTAHLIL-FQEVSTJZSA-N 386.467 3.537 0 40 GHAB COc1ccccc1CC(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220920475 KZBNRIOKCSMPIP-OAHLLOKOSA-N 397.500 3.831 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223706354 UUZVHQHFCPQGDI-UHFFFAOYSA-N 375.490 3.620 0 40 GHAB COc1ccc(N2N[C@@](C)(c3cccc(Br)c3)NC2=S)cc1 225342447 JJUPINYCEASNOV-INIZCTEOSA-N 378.295 3.530 0 40 GHAB CCOC(=O)Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccccc3)on1)CC2 77196339 HDLDRPDNVZJYQG-UHFFFAOYSA-N 398.444 3.565 0 40 GHAB COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(F)cc3)n2)cc1OC 98212271 GJVWQIFTQFVCHU-INIZCTEOSA-N 397.406 3.870 0 40 GHAB CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1 96318785 BBXHSRXYOIJXEQ-UHFFFAOYSA-N 383.492 3.504 0 40 GHAB C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)Cc1cccnc1 257221405 DOXYLVNVQWMXSX-QFIPXVFZSA-N 379.435 3.880 0 40 GHAB FC(F)Oc1ccc(CN2CC[C@@]3(CCCNC3)C2)cc1Br 583381417 KFAGQYKMGZITOR-MRXNPFEDSA-N 375.257 3.626 0 40 GHAB Cc1ccc2c(c1)OC1(CCN(C(=O)C3CCOCC3)CC1)[C@H]1CCCO[C@H]21 257282914 OVWHRKJANFJGFL-PZJWPPBQSA-N 385.504 3.643 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)Cc2ccc(F)cc2)c2ccccn2)CC1 257220997 DNDBZLNKUHOWCV-YDHSSHFGSA-N 397.494 3.563 0 40 GHAB COc1cccc(OCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 260846284 JZNDVOWDHJLFQS-SFHVURJKSA-N 382.504 3.736 0 40 GHAB NC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)CC[C@H]1C(F)(F)F 627048242 VWXFCMSPJUOVBJ-XWTMOSNGSA-N 383.458 3.739 0 40 GHAB CS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H](CC1CCCCC1)c1ccccc1 663921399 VBXPCCYBQOVPRD-WOJBJXKFSA-N 392.565 3.917 0 40 GHAB O=C1C[C@H](C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)[C@H]2CCCC[C@H]2N1 666456819 XDNKPFJNYLOVLY-HSALFYBXSA-N 392.503 3.520 0 40 GHAB COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccc3ccc(=O)n(C)c3c1)C2 685647047 OZZVZTMSBITBLW-UHFFFAOYSA-N 389.455 3.626 0 40 GHAB C[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(Br)c3cccnc23)C1 594963434 VLVSIEDJWMAHQB-QLEMLULZSA-N 381.339 3.777 0 40 GHAB Cc1ccc(N2CCOCC2)cc1NC(=O)NCc1cccc(OC2CC2)c1F 585101427 MJUAZFFFSMUCGO-UHFFFAOYSA-N 399.466 3.834 0 40 GHAB O=C1CC[C@]2(CCCN(Cc3ccc4c(c3)CCC4)CC2)N1C[C@H]1CCCO1 585099818 CLQKNKRDZVNVIB-VWNXMTODSA-N 382.548 3.701 0 40 GHAB Cn1nccc1CCC(=O)N1CCC[C@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615124581 YIYQFCQCXBLEKD-QFIPXVFZSA-N 384.499 3.542 0 40 GHAB Cc1ccc(C)c(NC(=O)COc2ccc(I)cc2)c1 5050549 LECDOPHIWSGYIL-UHFFFAOYSA-N 381.213 3.926 0 40 GHAB COCc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 5254602 PNXLNBLUZLTCKV-UHFFFAOYSA-N 383.322 3.527 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1N1CCCCC1 11168160 KGNDNVUNRLORFD-KRWDZBQOSA-N 392.503 3.853 0 40 GHAB COc1cc(CNc2ncc(-c3nccn3C)c(-c3ccco3)n2)cc(OC)c1 12087746 ODTSFSINKBFUTO-UHFFFAOYSA-N 391.431 3.766 0 40 GHAB CSc1ncc(C(=O)Nc2cccc(C(=O)N(C)C3CCCCC3)c2)cn1 12196435 IBLAOWBCUZIWFY-UHFFFAOYSA-N 384.505 3.856 0 40 GHAB O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(-c2cn3ccsc3n2)cc1 12540156 CIBQNXTXLIATNN-UHFFFAOYSA-N 394.431 3.570 0 40 GHAB O=C(C[C@@H]1C(O)=Nc2nc(SCc3ccccc3)nn21)Nc1ccc(F)cc1 13691057 YTLAFMCNAQCFHV-OAHLLOKOSA-N 397.435 3.881 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716666 AEWRSSFPYKNXOF-SFHVURJKSA-N 396.459 3.765 0 40 GHAB O=C(CSc1nc(/C=C/c2cccs2)n[nH]1)NCCc1ccc(F)cc1 14809486 SHMMAXKMABULJR-BQYQJAHWSA-N 388.493 3.627 0 40 GHAB Cc1ccn2c(NC(=O)Cn3c(C)csc3=O)c(-c3ccc(F)cc3)nc2c1 17366853 OILFARLBKQZIMQ-UHFFFAOYSA-N 396.447 3.619 0 40 GHAB CC(C)C(=O)N1CCC[C@@H](c2nc(-c3ccccn3)ncc2-c2ccncc2)C1 19085451 PQJDIQFQZZVJNN-GOSISDBHSA-N 387.487 3.963 0 40 GHAB CC(C)(C)C(=O)N1CCN(c2nc3ccc(Br)cc3s2)CC1 5181369 DFUCCAVFTXNGRW-UHFFFAOYSA-N 382.327 3.754 0 40 GHAB O=C(Nc1cccc(Cn2cccn2)c1)C1CN(Cc2ccc(Cl)cc2)C1 19661920 PDQYPANXUCWCMQ-UHFFFAOYSA-N 380.879 3.655 0 40 GHAB COc1ccc(C(=O)N2CC(n3c(C(C)C)nc4ccccc43)C2)c(OC)c1 1888956282 JMBCPYCIZXJWLB-UHFFFAOYSA-N 379.460 3.874 0 40 GHAB O=C(C1CC(F)(F)C1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1775995254 KIDBDJSEVRRJSO-UHFFFAOYSA-N 378.341 3.763 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)c(C)c1 1148247158 FDVUZDVRIPGJLO-UHFFFAOYSA-N 376.500 3.741 0 40 GHAB CCCCc1ccc(NC(=O)CN2C(=O)[C@@H](CC)S[C@H](CC)C2=O)cc1 2711039 ZTEBLEUUXGUCHM-IAGOWNOFSA-N 376.522 3.627 0 40 GHAB COc1cccc(-c2cs/c(=N\c3ccccc3C)n2N2CCOCC2)c1 7572747 SUQQZOVIKDGTEC-DQRAZIAOSA-N 381.501 3.734 0 40 GHAB CCC(=O)N1CCc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2C1 8977038 FNSWJRCGKXOPGY-UHFFFAOYSA-N 392.908 3.577 0 40 GHAB CC1=CC(C)(C)N2C(=O)[C@]3(CN(C)C[C@@H]3C(=O)c3cccs3)c3cccc1c32 1857657213 LXTWAQNGXDVFAZ-UZUQRXQVSA-N 392.524 3.973 0 40 GHAB COc1cc(CN[C@H]2CN3CCC2CC3)ccc1OCc1ccc(Cl)nc1 19932223 OGFMEUJIVRADJO-SFHVURJKSA-N 387.911 3.506 0 40 GHAB CC(C)(C)c1ccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 35598270 UNIYWUJFTGJZSB-UHFFFAOYSA-N 376.504 3.818 0 40 GHAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 575615134 BMJPOQLPEFVHIR-LKUPDRCFSA-N 375.428 3.560 0 40 GHAB C[C@H](O)C[C@@H](CNC(=O)NC1(c2noc(C3CC3)n2)CCCC1)c1ccccc1 95413642 RQWVCPHNMLHKEQ-YJBOKZPZSA-N 398.507 3.570 0 40 GHAB Cc1cc([C@H](C)NC(=O)[C@H](NC(=O)COc2ccccc2)C(C)C)c(C)s1 40080916 UAYPFNLOWNUYCW-MGPUTAFESA-N 388.533 3.762 0 40 GHAB COc1ccc(C(C)(C)C)cc1N[C@H](C)C(=O)Nc1sccc1C(N)=O 40001138 WTEOKFQEAVRJRX-LLVKDONJSA-N 375.494 3.592 0 40 GHAB O=C1CCc2cc(C(=O)COC(=O)c3csc4c3CCCC4)c(F)cc2N1 50759353 QTEJIYDTNOBSBI-UHFFFAOYSA-N 387.432 3.690 0 40 GHAB CS(=O)(=O)Nc1cccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 31980295 CBOHQAKVPOZUMU-CMDGGOBGSA-N 384.379 3.729 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1cc(Cl)c2c(c1)OCCO2)c1ccsc1 31986818 ZHOUZHYDAQPYEJ-MRXNPFEDSA-N 394.924 3.986 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21 51316196 QCBQCWWOTOHMTR-QGZVFWFLSA-N 394.515 3.847 0 40 GHAB Cc1ccccc1NC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 8207207 XQZILOPMZXBDTN-JLHYYAGUSA-N 396.468 3.718 0 40 GHAB Cc1ccc(C2=NN(C(=O)c3ccc(N(C)C)cc3)[C@@](O)(C(F)(F)F)C2)cc1 877735 GWVWSTUVKHSLOR-IBGZPJMESA-N 391.393 3.562 0 40 GHAB CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccco3)cc2[nH]1 32466012 WERAMKWJKREKBU-INIZCTEOSA-N 380.448 3.697 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 3274718 TXTXQQWHLHMRDA-UHFFFAOYSA-N 381.505 3.905 0 40 GHAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)NC(C)C)cc12 4836288 RCQADBUTUVIIQC-UHFFFAOYSA-N 391.880 3.730 0 40 GHAB COc1cccc(C(=O)NC(=S)Nc2ccc(CN3CCCCC3)cc2)c1 6235331 VXKQBICNHNRKAI-UHFFFAOYSA-N 383.517 3.808 0 40 GHAB CCCCNC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 6648182 HAJPWBXDFYYTSQ-KRWDZBQOSA-N 388.533 3.575 0 40 GHAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C 84028545 ORYORQSOEDENGR-INIZCTEOSA-N 391.924 3.626 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1 8600921 VRFGDSQVPGGSGZ-UHFFFAOYSA-N 389.477 3.514 0 40 GHAB CCOc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2C)cc1 2713301 MKJVLUAVORYREA-UHFFFAOYSA-N 386.839 3.889 0 40 GHAB c1ccc(-c2nnc(CN3CCN(Cc4nc5ccccc5s4)CC3)o2)cc1 22780019 QWZHDOMIJYSQJZ-UHFFFAOYSA-N 391.500 3.664 0 40 GHAB CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1C 862351 OAIOBHZFJIUGBR-IBGZPJMESA-N 386.448 3.651 0 40 GHAB COC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2 994017 IUWBGMKVJJONJN-UHFFFAOYSA-N 375.446 3.683 0 40 GHAB CC(=O)N(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1cccc(C)c1 991340 PUTFNQQRBBLIAE-UHFFFAOYSA-N 377.227 3.908 0 40 GHAB CCOc1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)cs2)cc1 23408495 FJJCPWJXHIFFAR-UHFFFAOYSA-N 397.500 3.760 0 40 GHAB CC[C@@H]1CCc2c(sc3ncn4nc(CCn5cc(Cl)cn5)nc4c23)C1 2803683 ZZADLNQNFJUNCV-LLVKDONJSA-N 386.912 3.947 0 40 GHAB CC(C)(CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCOCC1 22202952 DGUCTWNMBCCVAY-UHFFFAOYSA-N 396.409 3.806 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccs2)c1 24755013 IFBBLVWDPGRXCV-SFHVURJKSA-N 387.482 3.603 0 40 GHAB O=C(NC1CCCCC1)[C@@H]1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 3044439 SIJHCFMTFGFHOB-NRFANRHFSA-N 392.455 3.561 0 40 GHAB Cc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)c(C)n1Cc1ccco1 25452235 FECWXDLIRIOPFV-UHFFFAOYSA-N 399.535 3.511 0 40 GHAB O=C(Cc1ccc(Cl)cc1Cl)NC1CCN(C(=O)c2ccoc2)CC1 22955187 NXZBHIUGJUMWSO-UHFFFAOYSA-N 381.259 3.550 0 40 GHAB Cc1cccc(-n2c(C)nn(CN3CCN(c4ccccc4O)CC3)c2=S)c1 12517614 FJVCVUHTBFQWJK-UHFFFAOYSA-N 395.532 3.505 0 40 GHAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O 106757271 ZHWRCTZFTZCRBA-ATVHPVEESA-N 388.489 3.523 0 40 GHAB COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(sc3ccccc32)c1=O 57508044 XFXCYLNTMACTBC-UHFFFAOYSA-N 399.859 3.912 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccnc2)c1 12536304 WOFOOJZKEVTYTM-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB Cc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)C3(C)C)C2=O)cc1 2087346 RIJBGGMYBALXNE-FQEVSTJZSA-N 387.483 3.507 0 40 GHAB biogenic C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 69370110 CCUIFVHWBYNNBZ-ZBFHGGJFSA-N 390.405 3.978 0 40 GHAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 58124069 XOGSCCWLNOPWCM-OAHLLOKOSA-N 388.309 3.598 0 40 GHAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1n[nH]c(=O)c2ccccc12 10290364 JWBQGTYSCQVYBY-KRWDZBQOSA-N 379.416 3.643 0 40 GHAB NC(=O)CSc1nnc(SCc2ccc(SC(F)F)cc2)s1 58208960 DZKXLWNLCATAHE-UHFFFAOYSA-N 379.504 3.723 0 40 GHAB O=C1CC2(CCCCC2)C(=O)N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 21576574 VWLDBFKCCRZWAH-HXUWFJFHSA-N 393.483 3.803 0 40 GHAB CCOC(=O)c1c(C)nc(Nc2nc(C)c3cc(OCC)ccc3n2)nc1C 20634100 ILAZJYQUTVASKC-UHFFFAOYSA-N 381.436 3.664 0 40 GHAB O=C(NCCc1nc2ccccc2[nH]1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12693012 GOZNSTGQSGHDPE-GOOCMWNKSA-N 387.574 3.834 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 28293272 NANQBUHUVYHQBW-AWEZNQCLSA-N 385.851 3.999 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)c1 26529549 IOJOFCMJHXONMT-UHFFFAOYSA-N 390.244 3.589 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)CSc2ccc(OC)c(OC)c2)c1 20106083 MKPJICJJROUURV-UHFFFAOYSA-N 395.864 3.875 0 40 GHAB O=C(CCc1nc(-c2ccco2)no1)Nc1ccnn1Cc1ccccc1Cl 12791128 NVZRILFZFSQCBG-UHFFFAOYSA-N 397.822 3.799 0 40 GHAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccccc1 20611153 RMEHPFDCDRMMML-UHFFFAOYSA-N 376.391 3.886 0 40 GHAB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@H]2CCCO2)cc1 12852350 NAMBGZIFRBDGFF-LJQANCHMSA-N 379.435 3.896 0 40 GHAB COc1ccc(OCC(=O)Nc2nnc([C@H]3CCCO3)s2)c(C(C)(C)C)c1 27912850 UWMJNZICNQPTDP-OAHLLOKOSA-N 391.493 3.713 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)CCNC(=O)c1ccc(Cl)cc1 8312559 NSUPYGSHUVHPAA-UHFFFAOYSA-N 383.250 3.911 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2-c2ccccc2)ccc1O 63848565 BFRUVBFDGYRHDN-UHFFFAOYSA-N 397.452 3.671 0 40 GHAB COC(=O)C1CCN(C(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC1 13726121 PZTSUUQINSVLBX-UHFFFAOYSA-N 380.819 3.941 0 40 GHAB COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@H]4CC[C@H](C)C[C@H]4C3=O)cc2)c1 18125971 BOZIWKLEYKRMHR-PNHOKKKMSA-N 393.439 3.840 0 40 GHAB C[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)c1c[nH]c2ccccc12 5289144 XRLSDFCTSPOYAT-XIKOKIGWSA-N 394.452 3.785 0 40 GHAB COc1cc(C(=O)Nc2ccc3oc(C)nc3c2)cc(Br)c1O 14201355 ITIHISWYIJGCDS-UHFFFAOYSA-N 377.194 3.865 0 40 GHAB COc1ccc(Nc2ccc(NC(=O)c3cnc4sccn4c3=O)cc2)cc1 17593515 RUICCRBBTLDSGB-UHFFFAOYSA-N 392.440 3.761 0 40 GHAB CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(O)c(OC)c1 6753243 IFIWJLPYGXVQQQ-OAQYLSRUSA-N 393.443 3.760 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc(F)cc1F 6942939 NTSJLFZEOMTRCB-UHFFFAOYSA-N 385.370 3.563 0 40 GHAB COc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1Br 6988590 OUFUWXKXGYHBBS-UHFFFAOYSA-N 389.249 3.837 0 40 GHAB Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)c4cccs4)s3)CC2=O)c1 9199396 PSPQNCDJSVHZGL-ZDUSSCGKSA-N 398.513 3.989 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 18698889 IMKFNPHYOHKWAJ-UHFFFAOYSA-N 393.487 3.543 0 40 GHAB CCn1cc(S(=O)(=O)c2ccc(C)cc2C)c(=O)c2cc(F)c(F)cc21 67340595 WMWXADASMWSUFD-UHFFFAOYSA-N 377.412 3.749 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)CSc1nc2nc(C)cc(C)n2n1 7321259 LZCYZGGPQAYWFY-UHFFFAOYSA-N 395.941 3.597 0 40 GHAB CC(C)c1nnc(NC(=O)c2cc(=O)c3cc(Br)ccc3o2)s1 8995364 IUOJUVXJLDQCBU-UHFFFAOYSA-N 394.250 3.783 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1cn(-c2ccccc2)nc1-c1cccnc1 7911543 ZIWVTZPNXXNMGY-UHFFFAOYSA-N 398.422 3.593 0 40 GHAB O=C(COc1cccc2ccccc12)Nc1ccc(CN2CCOCC2)cc1 19376390 XPYQGJNJTBYJNA-UHFFFAOYSA-N 376.456 3.690 0 40 GHAB Cc1cc(C)c(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1 408706026 SZSRAZDDLOYZPU-UHFFFAOYSA-N 392.496 3.936 0 40 GHAB Cc1ccc(NC(=O)Cc2nnc(SCCOc3ccccc3)n2C)cc1C 9699050 ORVYJDROQVLSPK-UHFFFAOYSA-N 396.516 3.784 0 40 GHAB COC(=O)C(C)(C)C(C)(C)NC(=O)c1cc(C)n(Cc2cccs2)c1C 72301354 IFKUWPIPWBRBLB-UHFFFAOYSA-N 376.522 3.922 0 40 GHAB COC(=O)Nc1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1 72314309 VGPHLELJHRCRAQ-UHFFFAOYSA-N 396.491 3.993 0 40 GHAB O=C(NCCSCc1ccnc(Cl)c1)[C@H]1CCCN1Cc1ccccc1 95458532 YFFNOVSEBMETAN-GOSISDBHSA-N 389.952 3.749 0 40 GHAB C[C@H](CCc1ccc(Br)cc1)NC(=O)CCN(C)c1ccncc1 95468171 DRYLMCSGWGHELQ-OAHLLOKOSA-N 390.325 3.808 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 20236909 OEWVYEICQKLYKN-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB CCCCCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 26119039 MZJQUXISHWSKCH-UHFFFAOYSA-N 398.594 3.749 0 40 GHAB COC(=O)c1cc(NC(=O)[C@@H](C)SCc2ccccc2)cc(C(=O)OC)c1 22904345 PRCUTCCOOVHVMR-CYBMUJFWSA-N 387.457 3.520 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 408560837 FFOSCQSLYIKNSS-UHFFFAOYSA-N 375.494 3.978 0 40 GHAB Cc1ccsc1C(=O)N1CC[C@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306132845 LUDGDMBUUZBRJC-NRFANRHFSA-N 397.475 3.874 0 40 GHAB O=C(c1ccccc1F)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 35596910 XGUJTFQZMCCAIS-CQSZACIVSA-N 395.390 3.624 0 40 GHAB O=C(c1ccc(O)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 32101179 QIHSDHIITYPNSY-MRXNPFEDSA-N 384.741 3.547 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C(C)C 71281306 GHUBROXGDVLXDI-INIZCTEOSA-N 379.464 3.743 0 40 GHAB CN(C(=O)Cn1ccc(C(F)(F)F)n1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 1535080176 JXRKEDZDQIODKV-HZPDHXFCSA-N 381.398 3.606 0 40 GHAB O=C(NCCCN1CCCCC1)C1CCN(Cc2ccc(Cl)cc2F)CC1 189129067 SJTCTTFQKUIIJK-UHFFFAOYSA-N 395.950 3.683 0 40 GHAB Cc1nc2c(c(=O)[nH]1)[C@@H](c1c(F)cccc1Cl)c1cc3c(cc1O2)OCO3 72408134 CRXVQUGMZZRQGZ-OAHLLOKOSA-N 386.766 3.885 0 40 GHAB Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2CCOCc2ccccc2)ccn1 72357470 LACCEMMZDYVVJB-FQEVSTJZSA-N 377.492 3.798 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3cc(C)ccc3C)ccc21 225695797 RAOGGQTZRUAWGH-AWEZNQCLSA-N 390.530 3.739 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccccc1C 225841465 KQUZGEFOMKJBFZ-HXUWFJFHSA-N 398.528 3.724 0 40 GHAB COc1cc(OC)cc(C(=O)NCCNc2ccnc3cc(Cl)ccc23)c1 222932860 HXOFIRWBQZTVFH-UHFFFAOYSA-N 385.851 3.747 0 40 GHAB O=C(OCc1cnc(-c2cccc(F)c2)nc1)c1snnc1-c1cccnc1 223852825 RUNWBWFASHXCBT-UHFFFAOYSA-N 393.403 3.553 0 40 GHAB COc1cccc(NC(=O)CN2CCC(c3nc(-c4cccs4)no3)CC2)c1 49403517 SKLXTNNKNBLTNB-UHFFFAOYSA-N 398.488 3.625 0 40 GHAB COc1ccccc1-c1csc(C2CCN(C(=O)c3ccncn3)CC2)n1 569526403 YQQIKMIOAGDBPI-UHFFFAOYSA-N 380.473 3.629 0 40 GHAB O=S(=O)(NCCOCc1ccccc1)c1ccc(Oc2ccccc2)cc1 224481192 LBPIIZFIBMKUCG-UHFFFAOYSA-N 383.469 3.974 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 223197925 WXCGAOKUBKHWCS-LJQANCHMSA-N 388.508 3.861 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccccc1 225040593 TYPOYFDHWWKWKZ-IBGZPJMESA-N 398.572 3.906 0 40 GHAB COc1ccccc1Cc1noc(C2CN(C(=O)c3ccccc3SC)C2)n1 77191311 OJBHVLMGADRGOB-UHFFFAOYSA-N 395.484 3.631 0 40 GHAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cncs4)C3)o2)cc1 257242319 IBWZYVDWVHQJEQ-OAHLLOKOSA-N 383.473 3.750 0 40 GHAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccn(Cc2ccccc2)c1 542857674 CVAMDMOIVZFNST-UHFFFAOYSA-N 375.472 3.621 0 40 GHAB O=C(Cc1c(F)cccc1Cl)NC[C@@](O)(c1ccsc1)c1ccco1 253473875 ZKPQECJARJSDJV-GOSISDBHSA-N 379.840 3.728 0 40 GHAB Cc1ccc(C(=O)N2CCC(c3cc(-c4c(C)noc4C)nc(C)n3)CC2)cn1 257278336 OBVSGUJMXCXCGE-UHFFFAOYSA-N 391.475 3.780 0 40 GHAB C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3N2)C1 253589820 ACHZRINMTVBHMB-DTIITPDDSA-N 381.520 3.623 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1 260455430 PKHGGAAZHHTFJD-QZTJIDSGSA-N 388.533 3.644 0 40 GHAB C[C@H](NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1)c1ccn(C)n1 654591137 UVCSWWAWJCIREN-AWEZNQCLSA-N 376.451 3.814 0 40 GHAB O=C(c1cccs1)c1ccc(CNS(=O)(=O)Cc2cccc(F)c2)s1 90610592 FXAQVWUWXRPNCN-UHFFFAOYSA-N 395.502 3.799 0 40 GHAB C[C@@H](C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@H]1CCC(=O)N1 624376514 UCRTTZBFIZEUMC-QMTHXVAHSA-N 397.422 3.606 0 40 GHAB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)C2c3ccccc3Oc3ccccc32)C1 96120070 ILRFBEYVMJKGDZ-HNNXBMFYSA-N 399.512 3.738 0 40 GHAB CC(C)(C)C(=O)N1CCO[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585262776 DXWSEQUMKYNCIR-SFHVURJKSA-N 398.894 3.996 0 40 GHAB COc1ncccc1NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 47553704 PJFHGEWNPZTUSJ-CYBMUJFWSA-N 397.378 3.551 0 40 GHAB CC1CCN(C(=O)c2ccccc2NC(=O)Cc2noc3ccccc23)CC1 55926096 HMWDENCLVLNQFT-UHFFFAOYSA-N 377.444 3.881 0 40 GHAB COc1ccc2c(c1)CN(Cc1ccccc1OC)C[C@]1(CCCN(C)CC1)O2 72394503 ZCQVRABQLBCGJH-XMMPIXPASA-N 396.531 3.953 0 40 GHAB CCOc1ccccc1CN1CCC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 72392905 VHYKVSVHKOBRQP-GOSISDBHSA-N 390.487 3.610 0 40 GHAB CCOc1cc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c(OCC)cc1C 96305794 BHXIIYKEXMUUIG-UHFFFAOYSA-N 388.489 3.996 0 40 GHAB CCC1(C(=O)N2CCOC3(CCN(C(=O)C[C@H](C)C4CC4)CC3)C2)CCCC1 1615611023 IJVVJZWZPAJWTP-SFHVURJKSA-N 390.568 3.613 0 40 GHAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 5215502 ZXVCFMVHYPOKLV-OXJNMPFZSA-N 391.423 3.526 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)OCC(=O)N1CCC(Cc2ccccc2)CC1 5401093 PGZLFZXSDTUNSF-UHFFFAOYSA-N 390.483 3.735 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(Br)cc1F 5678774 UWQWNGZTYIJXEW-UHFFFAOYSA-N 396.212 3.817 0 40 GHAB CCCCC(=O)N(CCc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1 5977962 VOXBLFDPYDIBIT-UHFFFAOYSA-N 393.487 3.693 0 40 GHAB Cc1ccc([C@@H](C)C(=O)N2CCC3(CC2)NC(=O)c2cc(Cl)ccc2N3)cc1 12146341 YFGGOEOGUASQTG-OAHLLOKOSA-N 397.906 3.926 0 40 GHAB COc1cc(C)c(CNC(=O)Cn2cnc3sc(C)cc3c2=O)cc1C(C)C 12193871 QINQUDRZYPHTQI-UHFFFAOYSA-N 399.516 3.523 0 40 GHAB O=C(CCC1CCCC1)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 12406914 FHRHQCITXSBJKT-CQSZACIVSA-N 377.439 3.738 0 40 GHAB CSc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1N1CCOCC1 16424300 DRKODZJEMOOIOT-QGZVFWFLSA-N 399.560 3.704 0 40 GHAB CCOc1cc(S(=O)(=O)NCc2ccccc2Cl)c(OCC)cc1C 16780196 FTUGCZPOCAZKAZ-UHFFFAOYSA-N 383.897 3.924 0 40 GHAB CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2CC(C)(C)CN(C)C 19017591 GSZPBBMFDRTOPB-DNVJHFABSA-N 385.596 3.833 0 40 GHAB C[C@@H](Cc1ccccn1)N(C)C(=O)c1cc(-c2ccncc2)c2cnccc2n1 19456934 RHZPOZYTHBQTKV-INIZCTEOSA-N 383.455 3.790 0 40 GHAB COCCn1cnc2cc(C(=O)N3CCCC[C@H]3CN3CCCCCC3)ccc21 19594219 LXMULRLIWGTILF-FQEVSTJZSA-N 398.551 3.553 0 40 GHAB COc1ccc(CN2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)cc1 19712634 GXBFKNHKBMVYLU-XJUOHMSHSA-N 382.479 3.861 0 40 GHAB Cn1c(CCCC(=O)N2CCC[C@H](N3CCCC3)C2)nc2cc(Cl)ccc21 19714228 PSFMFFABHODOLQ-KRWDZBQOSA-N 388.943 3.636 0 40 GHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1 19909407 USEGESZKDHWQQG-UHFFFAOYSA-N 383.300 3.947 0 40 GHAB COc1ccc(-c2nc(O)cc(C3CCN(Cc4ccccn4)CC3)n2)cc1 12222623 BXMQZVODFMKWRP-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB COc1ccc(CN(C)CC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1OC 3403476 OYCYVYRNOHKDGU-UHFFFAOYSA-N 396.846 3.575 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)c1cc(=O)c(OCc2ccc(F)cc2)co1 11856848 CZUOVOPLIVWVBA-UHFFFAOYSA-N 375.302 3.888 0 40 GHAB CCSc1ccccc1C(=O)NCCn1ccn2nc(-c3ccco3)cc12 206750046 OTKINJZGKYZKSF-UHFFFAOYSA-N 380.473 3.938 0 40 GHAB O=C(c1ccccc1SC(F)F)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575613211 PQYAMPGGLHGMJT-GFCCVEGCSA-N 383.395 3.614 0 40 GHAB Cc1ccsc1CCC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 585304613 BYOWQPDOKGIDEP-AWEZNQCLSA-N 383.439 3.798 0 40 GHAB Cn1cc([C@@H]2CN(C(=O)c3cc(-c4ccccc4)on3)Cc3ccccc32)cn1 585409078 PLIDKFBXVIXGME-FQEVSTJZSA-N 384.439 3.863 0 40 GHAB Cc1ccc(Nc2nc(N3CCN(C)CC3)nc3c2cnn3-c2ccccc2)cc1 17042425 XUGVVEWETMNBQV-UHFFFAOYSA-N 399.502 3.619 0 40 GHAB Cc1nc(N2CCC(N3CCO[C@H](C)C3)CC2)c2c3c(sc2n1)CCCC3 40135270 GSNKPBAUWXGUHO-CQSZACIVSA-N 386.565 3.568 0 40 GHAB O=C(NCCOc1ccc(Cl)cc1)NCc1cccnc1OC1CCCC1 31100821 BTUGTEXRUVIDBJ-UHFFFAOYSA-N 389.883 3.935 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2cccnc2)cc1 905191 NSGLCHSRFRMXNU-UHFFFAOYSA-N 381.505 3.645 0 40 GHAB COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)cc1 1362716 VEGIZVRWSGVFCI-MRXNPFEDSA-N 381.407 3.904 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)cc1 3292120 CWWFFVDHQVDREU-UHFFFAOYSA-N 396.226 3.966 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC(C)C)nc3ccccc3c2=O)c(C)c1 3463470 TZAYRDXYTIJWAP-UHFFFAOYSA-N 381.501 3.619 0 40 GHAB COc1ccc(NC(=O)c2nnc(CN(C)Cc3sccc3C)s2)cc1 32769863 LBLODGGBOAIRHU-UHFFFAOYSA-N 388.518 3.801 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 4610541 WIEGNCNILRUAAH-GOSISDBHSA-N 394.471 3.862 0 40 GHAB CCOc1ccc(C(=O)Nc2cccc(I)c2)cc1OC 6155797 AAHSKJBEDOAMHM-UHFFFAOYSA-N 397.212 3.951 0 40 GHAB C[C@@H](NC(=O)CCn1c(=S)[nH]c2ccccc2c1=O)c1cccc(Cl)c1 17908645 VITCZBLDCWZYCD-GFCCVEGCSA-N 387.892 3.980 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3F)c2)cc1 6981695 FFRFGRSTTXAJRF-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(COc2ccccc2)cc1 7756848 RRPMTJLQKGOFTG-FQEVSTJZSA-N 375.424 3.835 0 40 GHAB CCCCCn1c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nc2ccccc21 32910728 AALFYBLHKDXOKE-IYBDPMFKSA-N 375.538 3.954 0 40 GHAB COc1cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc(OC)c1OC 10456682 IPVKVFWYTNMAIM-UHFFFAOYSA-N 398.503 3.628 0 40 GHAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c(C)c1 10899072 GHCXRNHHPGBTOU-TZZQJPOUSA-N 378.472 3.864 0 40 GHAB O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCN(c2ccc(O)cc2)CC1 22010222 DIYYCMXMRZACON-QHCPKHFHSA-N 387.483 3.894 0 40 GHAB Cc1cccc(N2CCN([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1C 57669756 WPOMXLRYENLAMV-FQEVSTJZSA-N 384.572 3.954 0 40 GHAB CCn1c(-c2ccc(C)cc2)nn(CC(=O)NCCc2ccccc2)c1=S 639408 FYLQQXNREZWACS-UHFFFAOYSA-N 380.517 3.768 0 40 GHAB CCc1ccc(OCC(=O)Nc2ncc(I)cc2C)cc1 725027 QHYQYQMZWSHGRF-UHFFFAOYSA-N 396.228 3.575 0 40 GHAB COc1cc(NC(=O)c2ccccc2I)cc(OC)c1 3093783 JVMXBZLHUIMKNO-UHFFFAOYSA-N 383.185 3.561 0 40 GHAB O=C(COC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccc2c(c1)OCO2 24852399 XYJONPXMGJUNSJ-UHFFFAOYSA-N 398.342 3.766 0 40 GHAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1 47589481 HPUVLOYKCNEXID-SCLBCKFNSA-N 393.915 3.949 0 40 GHAB COCc1nnc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)s1 61719921 JJSJKOPZEMGGEW-UHFFFAOYSA-N 391.456 3.790 0 40 GHAB C[C@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccncc2)CC1 100738964 UFYAFKDMWKPDSR-RNIPGJKVSA-N 393.535 3.651 0 40 GHAB C[C@H]1CCCN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)C1 25285909 FMGJYZNGFGEOTC-HNNXBMFYSA-N 386.565 3.639 0 40 GHAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(C)c(OC)c2)CC1 58438491 VBJLCAWWMINUAY-QGZVFWFLSA-N 399.510 3.776 0 40 GHAB CCOC(=O)c1[nH]c2ccc(C)cc2c1CCCN1C(=O)c2ccccc2C1=O 1509177 LCGVYGLDLGTJAP-UHFFFAOYSA-N 390.439 3.882 0 40 GHAB Cc1csc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)n1 22991833 QGVAWXGUZCRNRU-UHFFFAOYSA-N 380.395 3.894 0 40 GHAB Cc1cc(NCC(=O)N2c3ccccc3CC[C@H]2C)ccc1N1CCCC1=O 57653116 PJOTYNKFLFFUIQ-QGZVFWFLSA-N 377.488 3.902 0 40 GHAB CCN1C(=O)[C@@](O)(CC(=O)c2ccc3cc(OC)ccc3c2)c2ccccc21 3235245 MTTPJCUAMHSNJC-HSZRJFAPSA-N 375.424 3.676 0 40 GHAB C[C@@H]1[C@@H](NC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)CCC[C@H]1C 103142378 UDHRNHSAWUGIFW-DYEKYZERSA-N 387.307 3.889 0 40 GHAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1C 20492903 NNNWKEGYZMSBOA-UHFFFAOYSA-N 395.484 3.680 0 40 GHAB C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cc(Cl)cc(Cl)c1 3246303 BYUICFGQUVMWCU-JTQLQIEISA-N 396.226 3.949 0 40 GHAB Cn1cc(-c2nc(C(=O)NCCOc3ccc4ccccc4c3)cs2)cn1 44909861 FLEADGPDYXYXOV-UHFFFAOYSA-N 378.457 3.506 0 40 GHAB CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2cnc(C(C)(C)C)nc2)CC1 58368779 DACYNBWPYSODBJ-UHFFFAOYSA-N 376.501 3.750 0 40 GHAB Cc1cnc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Br)c2C)s1 28227516 HEDYGRNRRYETRH-SSDOTTSWSA-N 397.220 3.937 0 40 GHAB Cc1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)c1 408726865 VNGOYNUFEWLWIA-UHFFFAOYSA-N 398.484 3.726 0 40 GHAB CCCn1c(SCC(N)=O)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2360549 ASCPPQNJQWFHAP-UHFFFAOYSA-N 397.544 3.656 0 40 GHAB CCOC(=O)c1oc2ccccc2c1CSc1nnc2nc(C)cc(C)n12 3355081 PVEKHXUETOPMBH-UHFFFAOYSA-N 382.445 3.956 0 40 GHAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3Br)CC2=O)cc1 28404899 OTBOXTIMFNFUDF-HNNXBMFYSA-N 387.277 3.745 0 40 GHAB Cc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1ccc(F)cc1 12755166 FTOODSCAVPKVCN-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB CC[C@H](C(=O)Nc1cc(C)ccc1OC)n1nnc(-c2ccc(Cl)cc2)n1 13004156 ABSMZQNJSALESO-MRXNPFEDSA-N 385.855 3.900 0 40 GHAB O=S(=O)(CCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1 13055838 YMEADUDDAGFVKE-UHFFFAOYSA-N 399.343 3.589 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C)cc1 4176983 ISXZZURSDWRPNB-LJQANCHMSA-N 375.432 3.523 0 40 GHAB Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)Cc3cccs3)s2)CC1=O 9199813 JINSAFHGAZJHNA-ZDUSSCGKSA-N 398.513 3.610 0 40 GHAB COc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)c1 18157688 LBEJLKFWOWFLSF-JSNMRZPZSA-N 392.455 3.873 0 40 GHAB CCC1=NN(C(=O)CSCc2ccccc2Cl)[C@](O)(C(F)(F)F)C1 20058529 OSPMPDSAZPNSEW-CQSZACIVSA-N 380.819 3.822 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c(C)c1 13944897 FBGDYUUDRYOEIO-QGZVFWFLSA-N 393.462 3.954 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 6449876 FRBZRTDZYDXHNK-UHFFFAOYSA-N 386.860 3.949 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2NC(=O)NC(C)C)cc1 14190216 JBDNHKROZIQDTA-HNNXBMFYSA-N 383.448 3.709 0 40 GHAB O=C1CCSc2ccc(C(=O)NCc3ccc(CN4CCCC4)cc3)cc2N1 14168444 ZMMNUWPFXLSFGL-UHFFFAOYSA-N 395.528 3.647 0 40 GHAB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(CC)C4)N2)cc1OC 4556408 KFZIQYRCRZQKGY-SFHVURJKSA-N 387.505 3.962 0 40 GHAB Fc1ccc(-c2nnn(CN3CCC[C@@H]3c3nc4ccccc4s3)n2)cc1 14248595 VUHLSSTYAZLTJV-MRXNPFEDSA-N 380.452 3.884 0 40 GHAB Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1-c1nccs1 6549547 MHCSHVUIZPYHEN-UHFFFAOYSA-N 380.425 3.919 0 40 GHAB COc1ccc(C(=S)N2CCOCC2)cc1OC(=O)c1ccc(Cl)cc1 5514123 XUYMQVRFZYYIML-UHFFFAOYSA-N 391.876 3.576 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2C)cc1 9237256 KJJXMVZLTINCFC-ROUUACIJSA-N 379.489 3.601 0 40 GHAB COc1ccccc1NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C 4938456 VYQVLBGRSXNERL-UHFFFAOYSA-N 376.338 3.855 0 40 GHAB CCN(C(=O)COC(=O)/C=C/c1ccc(Br)o1)C1CCCCC1 9138173 DHZGDNWXZZUWNE-PKNBQFBNSA-N 384.270 3.780 0 40 GHAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCC2)cc1OC 8852852 VQGRLNASJIEJIC-ZRDIBKRKSA-N 389.455 3.802 0 40 GHAB O=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 7053725 MYSJZHLEUFMKGZ-UHFFFAOYSA-N 379.743 3.858 0 40 GHAB Cc1ccc(-c2csc3nc(CSc4nnc(N)s4)[nH]c(=O)c23)s1 7286721 BRFOMUQBKXFKBX-UHFFFAOYSA-N 393.544 3.748 0 40 GHAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)NC12CC3CC(CC(C3)C1)C2 7798751 AWDJHHVKXSSXEM-UHFFFAOYSA-N 393.516 3.683 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 8056789 BRASVTJWXDZYHM-CYBMUJFWSA-N 392.546 3.812 0 40 GHAB COc1cc(OC)c(C(=O)N(C)CCOc2ccccc2Cl)cc1OC 16966669 DAGJEBVHPDOUKY-UHFFFAOYSA-N 379.840 3.517 0 40 GHAB O=C(c1cccc(-n2cnnn2)c1)N1CCc2sccc2[C@H]1c1cccs1 9549908 DSWBDENIERIDOJ-SFHVURJKSA-N 393.497 3.573 0 40 GHAB CCOC(=O)C[C@H](c1ccc(F)c(F)c1F)c1c(O)[nH]c2ccccc2c1=O 72405411 ZLZNOMFPHOZNBV-GFCCVEGCSA-N 391.345 3.736 0 40 GHAB CC(C)CCO[C@@H]1CCCC[C@@H]1Nc1ccc(S(N)(=O)=O)c2cccnc12 95442269 LATJXGXGPISQIP-FUHWJXTLSA-N 391.537 3.668 0 40 GHAB O=C1CCCN1C[C@H]1CCCCN1Cc1csc(COc2ccccc2)n1 95957587 ULDOYWOQAKFYQR-GOSISDBHSA-N 385.533 3.699 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NCc2ccn(-c3ccccc3)n2)c1 95994879 RPWSGVMUUQAIQY-UHFFFAOYSA-N 384.505 3.515 0 40 GHAB Fc1ccc(CN2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 306131155 JXWQUYHXOSDJJK-NRFANRHFSA-N 389.434 3.504 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2C)c(C)c1 408547792 MZZXRLHVQADWSL-UHFFFAOYSA-N 398.484 3.936 0 40 GHAB C[C@H](C(=O)Nc1cccc2ccccc12)N(c1ccc(F)cc1)S(C)(=O)=O 408559916 XDMVRMPJLGTDAD-CQSZACIVSA-N 386.448 3.772 0 40 GHAB COc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 409181430 CILGDGSEDDUZHS-UHFFFAOYSA-N 379.368 3.563 0 40 GHAB Cn1c(=O)oc2cc(CN[C@@H](c3cncc(Br)c3)C3CC3)ccc21 513634052 VEBIBQVAGYVKBJ-QGZVFWFLSA-N 388.265 3.530 0 40 GHAB Cc1cccc(N2CCN([C@H](c3ccccc3)c3nnnn3C(C)C)CC2)c1C 35290675 BYHKRSDAIDVNCJ-JOCHJYFZSA-N 390.535 3.782 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1Cl 30753793 ULDZRWQBRCUBSQ-GFCCVEGCSA-N 377.824 3.931 0 40 GHAB Cc1ccc(N2C(SCc3ccccc3C)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 32641048 WTQDAWZIZFFGJF-MOPGFXCFSA-N 386.542 3.578 0 40 GHAB O=C(Nc1ccccc1OC(F)(F)F)[C@@H]1CC(=O)N(CCc2ccccc2)C1 36883276 RHWMLPGMFMKSKU-OAHLLOKOSA-N 392.377 3.615 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 36107389 ZJVLPVTXIDABCG-BEFAXECRSA-N 392.496 3.556 0 40 GHAB COC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224938470 SZSKYRGFGNJHEE-CQSZACIVSA-N 396.443 3.791 0 40 GHAB COc1ccccc1-c1nnc([C@H]2CCN(c3nccc(C(F)(F)F)n3)C2)o1 49171320 SNSXRDHFEXGOTF-NSHDSACASA-N 391.353 3.548 0 40 GHAB biogenic,in-vitro Cc1ccc(C)c(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)c1 223620152 MYQSGQBRDXGBJX-UHFFFAOYSA-N 385.489 3.955 0 40 GHAB Ic1cccc(-c2nc3cc(-n4cnnc4)ccc3o2)c1 45920401 NSJNSERVLZWZHJ-UHFFFAOYSA-N 388.168 3.680 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N(C)Cc3ccco3)c2)cc1 224502730 CGXQKTKBCZRIRI-UHFFFAOYSA-N 398.484 3.685 0 40 GHAB CS(=O)(=O)N1CCCc2ccccc2[C@H]1c1ccnc(Oc2cccnc2)c1 96087154 YQTKUJIJYBEBIQ-OAQYLSRUSA-N 395.484 3.566 0 40 GHAB O=C(c1ncccn1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257279166 OFHKTAPTYOIIOT-OAHLLOKOSA-N 382.851 3.729 0 40 GHAB Cn1nccc1C(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257224231 FAWSHNVWAWDVFN-HNNXBMFYSA-N 384.867 3.672 0 40 GHAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccc(Cc2ccccc2)nc1 257280146 OJRCHFOLXQXCDY-UPVQGACJSA-N 391.515 3.678 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)cn1 257337734 YUDOEGGHJAUFFJ-SFHVURJKSA-N 381.407 3.785 0 40 GHAB CNc1cc([C@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCOCC2)ccn1 257293150 QOIUMXDBVRECNI-HXUWFJFHSA-N 397.494 3.965 0 40 GHAB O=C(Nc1nc2ccccn2n1)N1CCC(CCc2ccc(F)cc2F)CC1 654030489 LUODGGUHNZOATR-UHFFFAOYSA-N 385.418 3.884 0 40 GHAB Cc1ccc(-n2ncc(NCCc3cccnc3)c(Cl)c2=O)cc1Cl 613404516 TUZWGLDFYURLFP-UHFFFAOYSA-N 375.259 3.897 0 40 GHAB Cc1ccc(-n2[nH]c(C(=O)N(C)[C@@H](CCc3ccccc3)C(F)F)cc2=O)cc1 629754630 YQPYSMJXITYTCI-IBGZPJMESA-N 399.441 3.813 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN1CCC(Cn2nc(C)cc2C)CC1 77099450 KEZBLWPXSXCPIF-UHFFFAOYSA-N 390.915 3.513 0 40 GHAB COc1cc2nc(N3CC[C@H](C(F)(F)F)C4(CCC4)C3)[nH]c(=N)c2cc1OC 509475099 GNRZWVQCPVZTNQ-HNNXBMFYSA-N 396.413 3.618 0 40 GHAB CC[C@@H]1C[C@H](C(=O)N(C)CCN(C)c2cc(C(C)C)nc(C(C)C)n2)CCO1 1615610565 DPZYSYFHRCVFEZ-QZTJIDSGSA-N 390.572 3.823 0 40 GHAB Cc1occc1-c1nc(N2CCN(c3ccccc3)CC2)ncc1-c1cnccn1 12222841 CWMCVBPMXQKBFE-UHFFFAOYSA-N 398.470 3.829 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 12605278 YWMGYRIVPWEDDQ-UHFFFAOYSA-N 394.924 3.942 0 40 GHAB Cc1cccc(CCCNC(=O)c2ccc(I)cc2)c1 13670967 ZUEOVPBOZPBFQR-UHFFFAOYSA-N 379.241 3.962 0 40 GHAB Cc1ccc2c(C)c(CCC(=O)N(C)Cc3ccc4c(c3)OCO4)c(=O)oc2c1 16234284 FMDLRLUDBQULJZ-UHFFFAOYSA-N 393.439 3.730 0 40 GHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)CC)C1 19498411 TYTTYJHQJZMIIL-DEOSSOPVSA-N 394.515 3.670 0 40 GHAB COc1cccc([C@@H](NC(=O)c2nn3cccnc3c2Cl)c2ccccc2)c1 19564937 SVILLAIPNLFFAJ-SFHVURJKSA-N 392.846 3.911 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccncc2)C1 19591629 NQSNWMAOWTXOAX-VWLOTQADSA-N 399.494 3.570 0 40 GHAB CNc1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)nc(-c2cccnc2)n1 19592158 IGKJNEUDRIXXEL-SFHVURJKSA-N 379.508 3.867 0 40 GHAB CN1CCCc2cc(C(=O)N3CCC[C@H]3c3ccc(-c4cncnc4)cn3)ccc21 19688655 LPQYBDLRUVWIQK-QHCPKHFHSA-N 399.498 3.898 0 40 GHAB CCN(C(=O)Cc1c[nH]c2ccccc12)[C@H]1CN(C(C)=O)C2(CCCCC2)C1 19695648 FECNRWPRKAJPQW-LJQANCHMSA-N 381.520 3.883 0 40 GHAB CCn1c(=O)n(CC)c2cc(-c3cncn3C[C@@H](C)N3CCCCC3)ccc21 19719631 NDAGXYWUFYUPQN-QGZVFWFLSA-N 381.524 3.581 0 40 GHAB Cc1ccccc1[C@H]1CC(=O)c2cnc3nc(N4CCCCC4)[nH]c(=O)c3c2C1 19973988 ZUQVZBBLVOYJKC-OAHLLOKOSA-N 388.471 3.530 0 40 GHAB C/C=C(/C)C(=O)O[C@@H](c1cc(OC)c2c(c1)OCO2)[C@@H](C)OC(=O)/C(C)=C\C 14589644 YIFLQBNCXIFWEL-XLULLIBISA-N 390.432 3.872 0 40 GHAB biogenic,in-vitro Cc1cnccc1OCC1CCN(C(=O)c2cc(-c3ccccc3)nn2C)CC1 1889224536 IRZIIYRRRCTCJR-UHFFFAOYSA-N 390.487 3.722 0 40 GHAB Cc1ccc(CN2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1 2037839889 DGDAOQQPYLMIFG-QHCPKHFHSA-N 382.479 3.922 0 40 GHAB Cc1cccc(N2C(=O)N(c3ccc(C)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 4393671 LTFHTZINTPCJPH-MSOLQXFVSA-N 390.892 3.569 0 40 GHAB COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@@H]3c4ccccc4OC(=O)[C@H]32)cc1 4594575 RNGXRKMCDCIEIL-OAGGEKHMSA-N 397.477 3.959 0 40 GHAB CCOc1ccc(N2C[C@@H](NC(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 5195952 CQXHABFYXNDYBU-ZDUSSCGKSA-N 392.377 3.639 0 40 GHAB CSc1cccc2sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)nc12 5299282 MFNDOYSXQNATRR-UHFFFAOYSA-N 396.490 3.570 0 40 GHAB CSc1ncccc1C(=O)OCc1cc(-c2ccc3c(c2)OCCO3)on1 36662655 IHHNCUJVKGFTIN-UHFFFAOYSA-N 384.413 3.587 0 40 GHAB O=C(NCC1CCN(C(=O)/C=C/c2ccco2)CC1)Nc1c(F)cccc1F 44002295 PZKYFRLMARUIGX-VOTSOKGWSA-N 389.402 3.631 0 40 GHAB COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(N3CCCCCC3)nc2c1 49006414 PLRRSEKQXFVZRI-UHFFFAOYSA-N 377.444 3.553 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1nc(C2CC2)ccc1=O 575619236 IVLSMAKOAZDPCQ-VIFPVBQESA-N 385.773 3.993 0 40 GHAB COC(=O)c1cccc2c1CCCN2C(=O)c1cc(Cl)c(OC)c(OC)c1 25191874 UQTUWQUANCDQBT-UHFFFAOYSA-N 389.835 3.737 0 40 GHAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cc(F)ccc2F)CC1 40122005 ZCHOOGNRSAQLMH-UHFFFAOYSA-N 398.331 3.582 0 40 GHAB CCn1c(=N)n(C[C@@H](O)COc2ccc(Cl)cc2Cl)c2ccccc21 20064696 VJOLMVIDUNDJQX-CYBMUJFWSA-N 380.275 3.689 0 40 GHAB O=C(NCc1ccccc1)C1CCN(c2ncnc3c2oc2ccccc23)CC1 30775495 DLQXILXINVIBGS-UHFFFAOYSA-N 386.455 3.909 0 40 GHAB CC/C(NCCC1=CCCCC1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 101033517 AHOPONKDROLDDH-HTXNQAPBSA-N 381.476 3.722 0 40 GHAB Cn1c(SCC(=O)N2CCCCC2)nc2c(-c3ccccc3)csc2c1=O 16844903 RAZRTLMNOSSEPA-UHFFFAOYSA-N 399.541 3.767 0 40 GHAB O=C(O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1041560 XSBGREUPZKIBNU-VQTJNVASSA-N 376.387 3.786 0 40 GHAB CCN(CC)CCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 11922070 ZWPPULHGCQXGQY-UHFFFAOYSA-N 376.504 3.670 0 40 GHAB CCn1ncc(CN(C)C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c1C 2779099 VHQFDRAJBVPYNL-LLVKDONJSA-N 391.825 3.608 0 40 GHAB CCOc1cccc2cc([C@H](C)NC(=O)c3cccc(S(C)(=O)=O)c3)oc12 32744962 GKYYYKRUMMJCHO-ZDUSSCGKSA-N 387.457 3.726 0 40 GHAB COc1ccc(CCC(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc1 32735960 YLLCOVMAJOJKIR-UHFFFAOYSA-N 378.350 3.632 0 40 GHAB O=C(C[S@](=O)CCCc1ccccc1)Nc1ccccc1Br 32801025 YSKGOMCLEQSVCI-QFIPXVFZSA-N 380.307 3.769 0 40 GHAB COc1ccc(C2(C(=O)Nc3ccc(C(C)=O)cc3)CCOCC2)cc1OC 6822503 XYZZUYWCUAFVJC-UHFFFAOYSA-N 383.444 3.593 0 40 GHAB C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 6900840 CDZUOXLDTJBNAM-ZFVQJCRESA-N 380.532 3.756 0 40 GHAB CC(C)C[C@@H](NC(=O)CSc1nnc(C(F)(F)F)n1C)c1ccccc1 7442734 OPKYPLTZGSDAGX-CYBMUJFWSA-N 386.443 3.830 0 40 GHAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NCc4ccccc4)cc3c2C1 32945371 OSNXENGGPJXXKT-HNNXBMFYSA-N 376.456 3.766 0 40 GHAB C[C@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 108833133 MHJOGDJMUSFXMV-IYSBERIVSA-N 381.419 3.774 0 40 GHAB CN1CCN(/N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)CC1 33294566 IMNQMXPSVPWRMC-XDOYNYLZSA-N 384.936 3.922 0 40 GHAB Cc1ccccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1 10150682 ORDGDFJLFNLXML-UHFFFAOYSA-N 391.515 3.584 0 40 GHAB COc1ccccc1OCC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 8276388 XFNLYFYUPQIGBO-QFIPXVFZSA-N 385.460 3.749 0 40 GHAB COCCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2cccc(C)c2C)n1 8476608 ZOQJOIPGTMMDOR-UHFFFAOYSA-N 378.476 3.626 0 40 GHAB O=C(COC(=O)Cc1csc(-c2ccccn2)n1)Nc1ccc(Cl)cc1 22372824 YRIUAWQULLVRMI-UHFFFAOYSA-N 387.848 3.583 0 40 GHAB O=C(CC[C@H]1C(=O)Nc2ccccc21)NCc1cccc(N2CCCCC2)c1 100778564 UATVWUXNOPOFMW-HXUWFJFHSA-N 377.488 3.809 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)c(C)c1 101057376 FVAZHGFOSSHRCS-FSSWDIPSSA-N 399.450 3.750 0 40 GHAB O=c1[nH]c(CN2CCN(c3cccc(Cl)c3)CC2)nc2cc(Cl)ccc12 24527409 QNPBCVSHABABHJ-UHFFFAOYSA-N 389.286 3.552 0 40 GHAB NC(=O)c1ccccc1NC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 44681379 VLBOCNMDLYSQHK-OAQYLSRUSA-N 384.439 3.732 0 40 GHAB CC(C)c1ccc(CN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C2CC2)cc1 10257990 RNUVSPGBSYNAHN-UHFFFAOYSA-N 375.472 3.780 0 40 GHAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(OCC)cc2)c1C 58277434 SATXZXDEJBSJAY-UHFFFAOYSA-N 376.478 3.798 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(OC(F)(F)F)cc1 58337639 FARYEJJCHMAKNX-LBPRGKRZSA-N 393.365 3.761 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 28019064 DWMOPNPDOYWOJS-UHFFFAOYSA-N 395.290 3.956 0 40 GHAB O=C(Cc1ccc(Cl)cc1Cl)OCC(=O)c1ccc2c(c1)OCCO2 3371872 OQVGQNAJJYMQNB-UHFFFAOYSA-N 381.211 3.733 0 40 GHAB CCCC(=O)Nc1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)c(C(C)=O)c1 3384450 YCUYMYNHXRVGFU-OAHLLOKOSA-N 394.471 3.984 0 40 GHAB COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC(F)F)c(Cl)c1 3329680 GCCRIYBEJSCRLI-UHFFFAOYSA-N 391.779 3.529 0 40 GHAB COc1ccc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1OC 12745319 AUBRQDKCFPWJNP-CYBMUJFWSA-N 375.446 3.832 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1ccccc1S(=O)(=O)N1CCCCC1 12784209 WCEGQXSJQCBIHU-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB COc1ccccc1NC(=O)C1CCN(Cc2cc(-c3ccco3)on2)CC1 48363718 ZCXOWUXXOAIQJI-UHFFFAOYSA-N 381.432 3.794 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(CS(=O)(=O)c2ccccc2)o1 12902045 FXQOQIPEMKLJLT-SFHVURJKSA-N 397.452 3.507 0 40 GHAB Cc1n[nH]c2nc3nc4c(c(-c5ccccc5)c3c(=O)n12)CCc1ccccc1-4 17117749 BKPDYWHJRMFCJR-UHFFFAOYSA-N 379.423 3.707 0 40 GHAB COc1ccc2[nH]c(=O)c(CN(C(=O)[C@H]3CCCO3)c3ccc(C)cc3)cc2c1 8619761 DRLFLUODRXODNK-OAQYLSRUSA-N 392.455 3.557 0 40 GHAB Clc1ccc(Cc2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)cc1 5032370 DPZHEJQXVLVUSA-UHFFFAOYSA-N 384.848 3.868 0 40 GHAB Cc1cc(Cl)ccc1Nc1nc(N2C[C@H](C)O[C@H](C)C2)nc2c1cnn2C 18125110 LVUFGFYDJHVQFV-BETUJISGSA-N 386.887 3.682 0 40 GHAB CCCn1c(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)nc2ccccc21 18183632 SGMYZCQNFPGXQH-OAHLLOKOSA-N 392.459 3.589 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cccn1C)c1ccccc1 4564202 WAWADQLKVVXTHN-HXUWFJFHSA-N 378.428 3.879 0 40 GHAB O=S(=O)(NCc1ccccc1OC(F)F)c1cccc(C(F)(F)F)c1 14208399 QTCKCNCLPCLWKG-UHFFFAOYSA-N 381.322 3.785 0 40 GHAB COc1ccc(-n2ccc(=O)c(C(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 5483779 XGWQODJLTXXCEG-UHFFFAOYSA-N 389.333 3.512 0 40 GHAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)NCc1ccc(F)cc1 6536744 AJEDSISVRVNWCG-UHFFFAOYSA-N 383.492 3.931 0 40 GHAB Cc1nc(N2CCN(C[C@@H]3CCCO3)CC2)c2c(-c3ccccc3)csc2n1 6581480 HDHMMVORWMKFSD-SFHVURJKSA-N 394.544 3.968 0 40 GHAB CCOC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)c(OC)c1 4659776 MKFOKLCEJXNOJM-UHFFFAOYSA-N 379.206 3.854 0 40 GHAB COc1cc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc(OC)c1OC 5550016 WEFNZNZFPKAEMG-UHFFFAOYSA-N 396.468 3.992 0 40 GHAB CN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccs1 5562639 FZORPVXTBYNVQA-CYBMUJFWSA-N 376.231 3.792 0 40 GHAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)NCCc1cccs1 8735190 IQDCNUWZJYJXQE-CYBMUJFWSA-N 399.545 3.576 0 40 GHAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)N[C@@H]1CCCc2ccccc21 6643029 FSWYAKJTALPPLU-OAHLLOKOSA-N 379.243 3.739 0 40 GHAB CCn1nnc2cc(C(=O)N[C@H](CCSC)c3nc4ccccc4[nH]3)ccc21 6650542 QUNGDGGGQVEBDG-MRXNPFEDSA-N 394.504 3.552 0 40 GHAB c1cc(-c2nc3c4cn[nH]c4ncn3n2)ccc1COc1ccc2c(c1)CCC2 6829086 NOGZPIMHHZUCJI-UHFFFAOYSA-N 382.427 3.735 0 40 GHAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccc1SCc1ccco1 8771552 NVPUBKQDWZBPOW-UHFFFAOYSA-N 377.429 3.800 0 40 GHAB COc1ccc(C(=O)[C@H](C)OC(=O)CCc2c(C)nc(SC)nc2C)cc1 7437399 NHFLNPIGOJZLHA-AWEZNQCLSA-N 388.489 3.571 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)Nc1ccccc1F 7777128 PURQSMHSOKTDEG-UHFFFAOYSA-N 389.408 3.541 0 40 GHAB CCCOc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 8014599 MTQYFZHSPRKTDP-CQSZACIVSA-N 396.443 3.796 0 40 GHAB COc1ccc(C)cc1[C@@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 8128586 PQPKJFLIYXQQLW-GFCCVEGCSA-N 395.286 3.918 0 40 GHAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1oc2c(F)cccc2c1C 9217580 UNLZNIPIVFIQDT-GOSISDBHSA-N 394.402 3.876 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(Cl)ccc1N1CCCCC1 9376270 LNEWDOVCWKWVBF-UHFFFAOYSA-N 396.878 3.679 0 40 GHAB Cc1ccnc(SCc2nc3cc(NC(=O)c4ccco4)ccc3n2C)n1 9421316 XYEHBFQHYPTTRZ-UHFFFAOYSA-N 379.445 3.809 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 9591099 BQNDLZXNFTYGTL-LJQANCHMSA-N 387.435 3.927 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](c1noc([C@@H]2CC(c3ccccc3)=NO2)n1)C1CC1 71905134 NMAFZUFXGHJUQN-JKSUJKDBSA-N 384.436 3.911 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2Cl)cc1OCC 72330887 PNXMYJRYNVVLMM-UHFFFAOYSA-N 391.851 3.862 0 40 GHAB Brc1cc2c(cc1COc1nnc(-c3ccccc3)o1)OCCO2 84569230 MDLYULFQJKSKOM-UHFFFAOYSA-N 389.205 3.849 0 40 GHAB Cc1ncc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)s1 97726962 UCVNNMQZWVMDOX-OAHLLOKOSA-N 398.315 3.679 0 40 GHAB O=C(CCc1ccccn1)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 77357755 WMLIILVBEMXLEK-KRWDZBQOSA-N 378.451 3.950 0 40 GHAB Cc1ccc(CC(=O)Nc2ccc(-n3ncc(C(=O)O)c3C(F)(F)F)cc2)o1 95989483 FUYODZMEIMNORD-UHFFFAOYSA-N 393.321 3.672 0 40 GHAB COCCCCCSc1nc2sc3c(c2c(=O)n1CCOC)CCCC3 95947685 IZDUHYTXEMDLGH-UHFFFAOYSA-N 396.578 3.892 0 40 GHAB COCc1ccc(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)cc1OC 95966400 RFRQDASZZMITGT-HNNXBMFYSA-N 384.259 3.612 0 40 GHAB CC(C)CC(=O)OCc1ccccc1C1(O)CCN(C(=O)OC(C)(C)C)CC1 79110430 GPHPLYQLAUXEFT-UHFFFAOYSA-N 391.508 3.994 0 40 GHAB c1ccc2c(c1)nc(NCCCN1CCCCC1)n1nc(-c3ccncc3)nc21 6805476 YTRQNFQBZKNMMC-UHFFFAOYSA-N 387.491 3.627 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2CC)ccc1OC 408585685 IDLBLUFPAVOKDU-UHFFFAOYSA-N 378.450 3.627 0 40 GHAB COC(=O)c1c(NC(=O)[C@H](C)Sc2ccccc2)sc2c1CCN(C)C2 408563387 MGQFJWLKRVJDRX-LBPRGKRZSA-N 390.530 3.642 0 40 GHAB O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCC[C@@H]1c1nnc2ccccn12 524735598 MMXHULVSPGTVEG-MSOLQXFVSA-N 391.500 3.936 0 40 GHAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 30847660 LBPARQWERJPCKL-UHFFFAOYSA-N 380.897 3.931 0 40 GHAB COC(=O)c1c(C)nc(O)nc1S[C@H](C)c1nc2ccccc2n1C(F)F 556319567 NUOIGPDDBREQTB-SECBINFHSA-N 394.403 3.875 0 40 GHAB CN1CCC(Oc2ccc(CNc3cncc(Br)c3)cc2)CC1 557686725 GNTIKQQCMJZLID-UHFFFAOYSA-N 376.298 3.929 0 40 GHAB Cc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)cc1F 36394627 YSOBCOZAFOBDQJ-OAHLLOKOSA-N 394.244 3.635 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)NCC1CCN(c2nc3ccccc3o2)CC1 70932128 YBWNWQQGCPBKAK-MRXNPFEDSA-N 379.460 3.628 0 40 GHAB Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349757 FYRWTAPZWREKAD-KRWDZBQOSA-N 378.451 3.863 0 40 GHAB COc1cccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44906848 LMJKEEQFSOORRJ-FQEVSTJZSA-N 384.495 3.795 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 223578613 MAXBOHAMARGUKO-IBGZPJMESA-N 382.504 3.544 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)c(C)cc21 223354353 UVEZPRMRROPFLJ-UHFFFAOYSA-N 380.853 3.685 0 40 GHAB COC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc2ccccc2c1 225052085 BVWHOJAFURULNU-UHFFFAOYSA-N 383.469 3.825 0 40 GHAB S=C(NCc1ccco1)Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1 225913988 MLMUMSLBAOZGGK-UHFFFAOYSA-N 399.907 3.772 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1Cl 220360994 LOUAXZIUMAKEKF-OAHLLOKOSA-N 398.956 3.810 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCCOc1cccc(C)c1C)CCCC2 223969751 YEPQHYGGQHYYJR-UHFFFAOYSA-N 389.517 3.548 0 40 GHAB Cc1cccc(-c2noc(CN(C)S(=O)(=O)Cc3cccc(Cl)c3)n2)c1 223643831 IYYHSZSOEYYLDC-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB CCOc1ccc(C(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1Cl 223753014 YFSFYGUWGMMYNW-UHFFFAOYSA-N 387.823 3.727 0 40 GHAB COc1cccc(Cn2ccc3ccc(NC(=O)[C@H]4CCCN(C)C4=O)cc32)c1 577585710 HHRLYPFVDPEUDC-HXUWFJFHSA-N 391.471 3.505 0 40 GHAB O=C1C[C@@H](c2ccco2)c2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1 96115522 HRRFAKFSTOZHRZ-ZDUSSCGKSA-N 390.347 3.905 0 40 GHAB biogenic CCN(Cc1ccncc1)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccccc1C 257317113 VILWMCJGJVKZDC-IRLDBZIGSA-N 379.504 3.738 0 40 GHAB CNC(=O)c1sc2nc([C@H]3CCCN3Cc3ccc(F)cc3)ccc2c1N 257288508 PUKKBDAHCNWABQ-MRXNPFEDSA-N 384.480 3.714 0 40 GHAB O=C(COc1cccnc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257203227 APDMTFINZGJNDO-FQEVSTJZSA-N 377.444 3.793 0 40 GHAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4ccccn4)C3)o2)c1 257212801 CEZKDWDBPSWLAP-QGZVFWFLSA-N 377.444 3.689 0 40 GHAB O=C(CCc1nnc(-c2cc3ccccc3o2)o1)N1CCc2ccc(O)cc2C1 586839203 LXHVPFKPYCJMDE-UHFFFAOYSA-N 389.411 3.706 0 40 GHAB CCC1(N2CCCC2)CCN(C(=O)N[C@H](C)c2ccc3nc(O)oc3c2)CC1 633508354 WKPBFDJXLWBGNX-OAHLLOKOSA-N 386.496 3.644 0 40 GHAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC[C@H](Cc2ccncc2)C1 645646336 WMQKYZJUAUWFRK-QGZVFWFLSA-N 388.533 3.641 0 40 GHAB O=C(N[C@H]1COc2cc(F)cc(F)c21)c1c[nH]nc1-c1ccc(Cl)s1 681745825 UDOYXDKZRKWIDU-JTQLQIEISA-N 381.791 3.933 0 40 GHAB CC(C)Sc1ccc(CC(=O)N2CC[C@H](Oc3ncc(Cl)cn3)C2)cc1 575608379 YANABJKAOUBIHE-INIZCTEOSA-N 391.924 3.853 0 40 GHAB Cc1ccc(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)cc1C 585111407 SLBVIBWIBCRACE-NRFANRHFSA-N 375.472 3.592 0 40 GHAB CSc1cccc(NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)c1 169768660 SLCYTGLMJZBCLW-UHFFFAOYSA-N 399.545 3.565 0 40 GHAB Cc1nc(NC(=O)N2CC[C@@H](n3cccn3)C2)sc1Cc1ccc(F)cc1 583247040 VVVNTJRJQJSVFI-MRXNPFEDSA-N 385.468 3.857 0 40 GHAB Fc1cc(F)cc(Cc2nnc3sc(-c4cnn(-c5ccccc5)c4)nn23)c1 12389371 TUMAMQRLFGPEOK-UHFFFAOYSA-N 394.410 3.908 0 40 GHAB C[C@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13676588 HGSIMIKVWUOIQA-OKILXGFUSA-N 393.380 3.781 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Cl)C2)cc1 14022765 ARFPHZQRKCFDKS-OAHLLOKOSA-N 392.908 3.688 0 40 GHAB Cc1ccc([C@H](NC(=O)Cn2cnc3ccccc3c2=O)c2ccccc2)cc1C 14596812 VNYSSOKPGWUPAV-XMMPIXPASA-N 397.478 3.919 0 40 GHAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3sc4c(c3C(N)=O)CCCCC4)C(=O)[C@H]21 16226114 HDCVDXPMWRFFCF-DLTLXFJOSA-N 398.528 3.598 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)o1 19559332 IBDKPOKCZVYMBQ-BIGNPOOSSA-N 397.401 3.773 0 40 GHAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)CO2 19562389 CUXZTDSPICNBGT-UZLBHIALSA-N 397.471 3.627 0 40 GHAB COc1cccc2c1OC[C@@H](C(=O)N1CCC[C@H](COc3ccccc3F)C1)C2 19568276 JUMIOGVRJPCSLW-WMZOPIPTSA-N 399.462 3.703 0 40 GHAB O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1ccccc1Cl 19958985 YHGKQSNWJBZRFA-UHFFFAOYSA-N 388.858 3.997 0 40 GHAB COc1ccc(NCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 5335373 CGFHUGJISRAMMJ-RQZCQDPDSA-N 384.413 3.530 0 40 GHAB COc1cc2ncnc(N3CCC[C@@H](COc4ccnc(C)c4)C3)c2cc1OC 1889213080 RMOPFRTZBFMFGR-MRXNPFEDSA-N 394.475 3.646 0 40 GHAB O=C(c1occc1COc1ccccc1)N1CCN(Cc2cccs2)CC1 22692016 WYYFOYFGBHHFET-UHFFFAOYSA-N 382.485 3.878 0 40 GHAB CCCNc1nnc(S[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)s1 22762639 OHTWHIQJEXCEDF-LBPRGKRZSA-N 393.538 3.806 0 40 GHAB Cc1cc(N2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)nc(C(C)C)n1 31493919 ZHZUSCKACGEYBV-UHFFFAOYSA-N 377.492 3.661 0 40 GHAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc2c(c1)OCO2 2468257 VAELRBCXMVKJJI-UHFFFAOYSA-N 387.848 3.985 0 40 GHAB COc1ccc(OC)c(-c2ccc(SCC(=O)NCc3ccccc3)nn2)c1 5411369 ZIONDHKVKXJHNY-UHFFFAOYSA-N 395.484 3.569 0 40 GHAB O=C1C[C@H](n2nc(-c3ccccc3)n(C3CCCCC3)c2=S)[C@H]2CO[C@@H]1O2 6658514 SPGLAQXGFDMRLF-KVSKMBFKSA-N 385.489 3.842 0 40 GHAB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc1 8843847 DXMMLLVGGNFTTC-FQEVSTJZSA-N 379.460 3.969 0 40 GHAB Cc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)Nc1ccccc1F 12230351 CKILZMIHXDMRLJ-UHFFFAOYSA-N 384.382 3.653 0 40 GHAB COc1ccc([C@@H]2c3c(C)n[nH]c3C(=O)N2CCc2c[nH]c3ccccc23)cc1 13549462 QCNKPPRRJHXHEO-JOCHJYFZSA-N 386.455 3.996 0 40 GHAB FC(F)(F)c1cccnc1OC[C@@H]1CCCN(c2ncnc3cnccc23)C1 1775971911 XYRHXVFIYRYNMG-CYBMUJFWSA-N 389.381 3.734 0 40 GHAB COc1ccccc1C1(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)o2)CC1 1775967273 KMXWFEDDOSYWLS-OAHLLOKOSA-N 383.469 3.898 0 40 GHAB O=C(CSc1ccc(-c2nc(-c3ccccc3)no2)cn1)NCc1ccco1 49405639 LQTFFGLKEXGTDK-UHFFFAOYSA-N 392.440 3.800 0 40 GHAB CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@H](c2ccccc2)C1 30030587 SKFLDVSBRUDEBW-FQEVSTJZSA-N 380.879 3.859 0 40 GHAB CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)C)cc2)s1 30008667 ASINDDRVQSOKCQ-CYBMUJFWSA-N 380.535 3.547 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)OCc3cn4cc(C)ccc4n3)o2)cc1 40011915 IAFOWWBGQFTVPJ-UHFFFAOYSA-N 376.416 3.677 0 40 GHAB O=C(CSCc1ccc(Cl)cc1)NCc1ccc(N2CCCC2)nc1 40068233 CKKXOHFQAVDVDN-UHFFFAOYSA-N 375.925 3.885 0 40 GHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCc1nc2ccccc2[nH]1 40049366 IZLQKNQZHFWCLY-UHFFFAOYSA-N 379.420 3.577 0 40 GHAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2C(c3ccccc3Cl)=NO[C@H]2C1=O 101359181 YQFQEEHBPLXGRA-GOEBONIOSA-N 375.211 3.594 0 40 GHAB Cc1cccc(-c2noc(CSc3nnnn3CCc3cccs3)n2)c1 32330536 VDNDHTVTHFJKGV-UHFFFAOYSA-N 384.490 3.628 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1 29765823 WRMHJTOVHCECJX-JSGCOSHPSA-N 375.852 3.786 0 40 GHAB Cn1c(SCc2cc(=O)n3c(n2)sc2ccccc23)nnc1-c1ccco1 32721565 CBEFHFQGKCUIMY-UHFFFAOYSA-N 395.469 3.590 0 40 GHAB CCCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 7263368 UXRDAJDUBPCYEP-UHFFFAOYSA-N 387.871 3.936 0 40 GHAB Cc1nnc(S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)O)o1 7603498 ZQGQGZHTTQVMQG-OQFOIZHKSA-N 391.630 3.717 0 40 GHAB COCCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(C)c(C)c2)n1 8476960 IQHZAKXFPHSKEL-UHFFFAOYSA-N 378.476 3.626 0 40 GHAB CC[C@@]1(N2CCCCC2)COc2c(I)cc(C)cc2C1=O 55124403 DWUHPBNOKKPMGI-QGZVFWFLSA-N 399.272 3.809 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)n2nc(C)cc2C)c2ccccc2)cc1 634123 RAJHUJATIPKYTD-FQEVSTJZSA-N 397.500 3.558 0 40 GHAB CCc1ccc(NC(=O)CSc2nc3ccccc3c3nc(C)nn23)cc1 2969123 YEAFDDDABJTAAC-UHFFFAOYSA-N 377.473 3.879 0 40 GHAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc3c(c2)OCO3)cc1 9512958 MOYFZUXFGAJZDX-LJQANCHMSA-N 382.460 3.980 0 40 GHAB O=c1oc2c(cc(NS(=O)(=O)c3ccc(F)cc3)c3ccccc32)s1 793389 BVNUXBFJKISTIP-UHFFFAOYSA-N 375.402 3.948 0 40 GHAB COc1cc(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)cc(OC)c1 9876953 MNIINHMNVVGFGC-UHFFFAOYSA-N 385.533 3.840 0 40 GHAB O=C(Cc1ccccc1)Nc1cc(NC(=O)NCc2ccncc2)ccc1F 47627678 QOQJWBFEEDLYIJ-UHFFFAOYSA-N 378.407 3.724 0 40 GHAB CN1C(=O)c2ccc(NC(=O)Cc3coc4ccc5ccccc5c34)cc2C1=O 23386291 OXCDRLTZZAEKLM-UHFFFAOYSA-N 384.391 3.993 0 40 GHAB O=C(Nc1nccs1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 23143236 PYLRWMLHQNIZOO-UHFFFAOYSA-N 383.452 3.594 0 40 GHAB CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(C)c(C)c2)CC1 22460115 CZMIZBYRPHMXEY-WIYYLYMNSA-N 385.577 3.862 0 40 GHAB Cn1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccccc21 24941401 QUAKOSJYAQMQNX-UHFFFAOYSA-N 388.393 3.555 0 40 GHAB COc1ccc(OC)c(NC(=O)COC(=O)c2cc(SC)ccc2Cl)c1 3237703 ASMXRFSOTRIYPQ-UHFFFAOYSA-N 395.864 3.875 0 40 GHAB O=C(Nc1ccc(F)c(F)c1F)c1cnn(-c2ccccn2)c1C(F)(F)F 24574583 UDIHSOQETRHUNQ-UHFFFAOYSA-N 386.255 3.956 0 40 GHAB CC(C)c1ccc(Nc2nnc(SCC(=O)NC[C@@H]3CCCO3)s2)cc1 3373682 CKGYUECDDQOWER-HNNXBMFYSA-N 392.550 3.792 0 40 GHAB CC(C)Sc1nc(N2CCOCC2)c2c3c(sc2n1)COC(C)(C)C3 2425543 QEMYDNXLURQCAU-UHFFFAOYSA-N 379.551 3.880 0 40 GHAB Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)n1 48255123 RJBZKLOCOFPCCG-AWEZNQCLSA-N 385.512 3.861 0 40 GHAB O=C(CSc1nc(C2CC2)n[nH]1)Nc1ccccc1C(=O)Nc1ccccc1 11472417 DDYQTOAPHOPXBT-UHFFFAOYSA-N 393.472 3.665 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccnn1Cc1ccccc1 12775819 BOWTZHOCLDUXDA-OAQYLSRUSA-N 386.455 3.834 0 40 GHAB CCOc1cc(CNCCCCN2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OC 62253114 HYUGKXWPCQCSBS-HOTGVXAUSA-N 384.948 3.726 0 40 GHAB NS(=O)(=O)c1ccc(CNc2nc(-c3ccccc3)c3ccccc3n2)s1 12983044 LSMZRHWOVXOIOD-UHFFFAOYSA-N 396.497 3.618 0 40 GHAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1cc2ccccc2o1 12932054 GNJFUBHUFMBEFS-UHFFFAOYSA-N 390.361 3.997 0 40 GHAB COc1ccc(CCC(=O)Nc2nc(C(C)=O)cs2)cc1Br 12907037 JDTVPUABWYUDEO-UHFFFAOYSA-N 383.267 3.688 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1 12927255 KDRISBWGSZHHRQ-HUUCEWRRSA-N 389.521 3.792 0 40 GHAB COc1ccc(-c2c(C)s/c(=N\c3ccccc3)n2N2CCOCC2)cc1 4280267 CLBMYLJPDACFGN-DQRAZIAOSA-N 381.501 3.734 0 40 GHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1cccc(Br)c1 8624307 KLIRBXGWFDFYMG-LJQANCHMSA-N 385.261 3.733 0 40 GHAB O=C(CSc1nc2cc(Br)cnc2[nH]1)NCCC1=CCCCC1 8417953 ASZSTNGYDFVZDL-UHFFFAOYSA-N 395.326 3.819 0 40 GHAB Clc1cccc(OCc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)c1 6402401 RLLLEJMSLCSPSX-UHFFFAOYSA-N 376.807 3.900 0 40 GHAB O=C(CSc1nc(=O)c2ccccc2s1)NC12CC3CC(CC(C3)C1)C2 4520360 XRGGGCSESDNLMF-UHFFFAOYSA-N 386.542 3.834 0 40 GHAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)NC(=O)Nc1ccccc1F 5533142 MULOWNNOYRJHKE-UHFFFAOYSA-N 385.178 3.638 0 40 GHAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(Cl)cc1 4782851 FENIPNIWTGSUJD-UHFFFAOYSA-N 398.271 3.864 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1C 4735637 GIZANSHNTXZOBT-HXUWFJFHSA-N 377.444 3.823 0 40 GHAB Cc1cc(Br)ccc1NC(=O)Cn1c(=O)sc2ccccc21 6720884 CYVIDPXPEDJMJG-UHFFFAOYSA-N 377.263 3.773 0 40 GHAB Cc1nc(Cc2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)o2)cs1 5832765 HEUUHAOFVUNJPN-UHFFFAOYSA-N 386.502 3.645 0 40 GHAB Fc1ccccc1N1CCN(c2nccn3nc(-c4cccs4)cc23)CC1 67285258 HJDBAWAAVIXWRY-UHFFFAOYSA-N 379.464 3.924 0 40 GHAB CC[C@H]1CCCCN1C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[C@@H](C)CC 67238778 SVJZXVHSIZVHLH-GJZGRUSLSA-N 390.553 3.887 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(NCc2ccco2)s1 7161626 JUMGHJZOIUKRMC-LBPRGKRZSA-N 386.502 3.813 0 40 GHAB Cc1nnc(SCc2cc3c(cc2Br)OCCO3)n1C1CC1 8777506 ANSILTQJXWGOBE-UHFFFAOYSA-N 382.283 3.747 0 40 GHAB COc1cc2[nH]cc(C(=O)c3cccc(Br)c3)c(=O)c2cc1OC 67340942 OOJMFECJAJALKB-UHFFFAOYSA-N 388.217 3.539 0 40 GHAB CCn1c(SCC(=O)c2ccc(CCNC(C)=O)cc2)nc2ccccc21 7901324 MGNXVZYSXVJTQA-UHFFFAOYSA-N 381.501 3.710 0 40 GHAB O=C(CSc1nnnn1C[C@@H]1CCCO1)c1ccc(C2CCCCC2)cc1 9478150 YHKPCYQWPYQJDJ-SFHVURJKSA-N 386.521 3.875 0 40 GHAB COc1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)nn1 95960601 AGQXCFLAVNVNRX-UHFFFAOYSA-N 392.387 3.771 0 40 GHAB CCc1ccc(CN2C[C@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)cc1 306138317 RUTOLGOODDLMPX-XZOQPEGZSA-N 386.499 3.527 0 40 GHAB COc1cccc(NC(=O)Nc2ccc3c(c2)CN(C(=O)C(C)C)CC3)c1OC 38489863 QERJFZPNZYQZIV-UHFFFAOYSA-N 397.475 3.889 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)ccc1OCC 408585317 DHBLLFNQLQOWJZ-CQSZACIVSA-N 392.477 3.693 0 40 GHAB COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3F)n2)cn1 35425405 HGFOJNLATWTZKO-SFHVURJKSA-N 398.438 3.633 0 40 GHAB biogenic,in-vitro Cc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)Cc2cccnc2)C1 72362367 XVMPCJZFCWBQOQ-IBGZPJMESA-N 388.471 3.921 0 40 GHAB O=C(O)c1ccc(N2CCCCC2)c(S(=O)(=O)NCCC2=CCCCC2)c1 217455545 JPTNCVFUJKERCO-UHFFFAOYSA-N 392.521 3.544 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1cccc(OC)c1)CCCC3 35079611 SCKWNQRIZNNYFA-LJQANCHMSA-N 393.487 3.946 0 40 GHAB COC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 39759301 ZXEHVMHLGBXCCY-UHFFFAOYSA-N 386.879 3.977 0 40 GHAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)on1 70762350 ZYHKIHTYDCYBJI-SFHVURJKSA-N 376.334 3.522 0 40 GHAB CCCn1c(=O)c2cc(F)ccc2n2c(SCc3cccc(OC)c3)nnc12 33256543 KPWMEEBQUGNFRA-UHFFFAOYSA-N 398.463 3.894 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)NCc2ccc(COc3ccccc3)cc2)cc1 32303642 MHILBHKQXYNPSJ-UHFFFAOYSA-N 395.480 3.599 0 40 GHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)C1 39759943 ZXUNPLOGHDPGLQ-OALUTQOASA-N 389.559 3.522 0 40 GHAB COc1ccc(CN(C(=O)CCc2nnc(-c3ccsc3)o2)C2CC2)cc1 30875928 LRWZKMAETYXFOE-UHFFFAOYSA-N 383.473 3.931 0 40 GHAB O=C1CC[C@H](c2cccc(N[C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)c2)N1 561235252 WAHCLGOKTZRSGU-UXHICEINSA-N 399.441 3.519 0 40 GHAB COc1cccc(-c2c3c(=O)n([C@H]4CCCC[C@@H]4C)ccc3nc3ncnn23)c1 40398234 GBUVEDYQWHPAJD-KSSFIOAISA-N 389.459 3.866 0 40 GHAB CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1)c1ccc(C)cc1C 222485479 JXOQCKHFFGVSDW-LJQANCHMSA-N 388.533 3.889 0 40 GHAB Cc1cccc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)c1C 223949058 UIQAXVBNFPQYTO-UHFFFAOYSA-N 384.495 3.850 0 40 GHAB C[C@H]1C[C@@H](OC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1 60895925 WKXSXVSCBQJGHS-RIXPRVDDSA-N 382.256 3.985 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 224393903 ZWHQCCNJHABHGL-OAQYLSRUSA-N 384.495 3.929 0 40 GHAB CCOC(=O)c1oc2c(c(C)nc3ccc(I)cc32)c1O 195770217 BHOYDFMKUCCIIQ-UHFFFAOYSA-N 397.168 3.776 0 40 GHAB Cc1cc(C)c(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c(C)c1 220305734 WVNUOAIEMYUJLR-OAHLLOKOSA-N 378.469 3.544 0 40 GHAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19369501 YTPBYBOXURFVCX-QFIPXVFZSA-N 398.510 3.618 0 40 GHAB CN(C)C(=O)C[C@H]1CC2(CCN(Cc3nccs3)CC2)Oc2ccccc21 96053152 YMHOBWZORXYZFG-INIZCTEOSA-N 385.533 3.522 0 40 GHAB CN([C@H](C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1)S(C)(=O)=O 260761925 FDTVAMXCHRAFQO-HNNXBMFYSA-N 387.288 3.565 0 40 GHAB Cc1cc(NC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)cc(C(N)=O)c1 667189858 YZHZKNCGXSTHLD-UHFFFAOYSA-N 377.444 3.566 0 40 GHAB CCc1ccc(CN2CCc3oc(C(=O)N4CCC(F)(F)CC4)nc3C2)cc1 585112578 RKEYGNBZOXYIQE-UHFFFAOYSA-N 389.446 3.667 0 40 GHAB CC(C)c1ccc(OCC(=O)N2CCC[C@@H](c3nnc(C(F)(F)F)o3)C2)cc1 77197800 ARQSCRLHAMQZJJ-CQSZACIVSA-N 397.397 3.997 0 40 GHAB CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 95998689 ZUVZFIIHCOOJGQ-CQSZACIVSA-N 389.887 3.533 0 40 GHAB Cc1ccc(C)c(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615159017 UDMAAECEFMGXFS-UHFFFAOYSA-N 382.479 3.841 0 40 GHAB O[C](CNCCOc1ccccc1O)COc1cccc2[nH]c3ccccc3c12 1560406102 RVCMTLNUAHHDTQ-UHFFFAOYSA-N 391.447 3.979 0 40 GHAB Cc1cccc(-c2cc3nc(C)c(C)c(N4CCC5(CC4)OCCO5)n3n2)c1 5001341 DSOJNKBSVDKBEL-UHFFFAOYSA-N 378.476 3.665 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1 12557116 PHXMUQCVMVNQTQ-UHFFFAOYSA-N 388.489 3.559 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2cc(C)cc(C)c2)cc1 12920553 BVBBXASTLQOFKY-NRFANRHFSA-N 380.488 3.796 0 40 GHAB Cc1csc(NC(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)n1 13227947 KNJXORCRCWUDTL-UHFFFAOYSA-N 386.502 3.664 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711935 JXQRRHPFMSJVPX-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB O=C1NCCN(C(=O)C2CCCC2)C[C@H]1Cc1ccccc1-c1ccccc1 19374303 WXNGHCVOILTCEG-OAQYLSRUSA-N 376.500 3.661 0 40 GHAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@@H](COc3ccccc3F)C1)CO2 19562335 DQWFAYVBXNENKH-SJLPKXTDSA-N 399.462 3.703 0 40 GHAB COc1cccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CCN(Cc4ccsc4)C[C@H]23)c1 19566389 KIRFERUAAOCWPC-YPAWHYETSA-N 396.556 3.983 0 40 GHAB COc1cccc(C(=O)N[C@H](C)Cn2c(C(F)(F)F)cc3cccnc32)c1 19575477 QPQNDRIKSBXCNU-GFCCVEGCSA-N 377.366 3.882 0 40 GHAB CC(C)OCC(=O)N1CCC[C@@H](c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 19706050 SBHSBBFDXNRYOM-QGZVFWFLSA-N 399.466 3.604 0 40 GHAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccn1 6355935 UVYJAAWFJKQNJQ-KIHMUJGBSA-N 385.265 3.950 0 40 GHAB CC1=C(C(N)=O)[C@H](c2cccc(C)c2)n2nc(-c3cccc(Cl)c3)nc2N1 4574542 GGDBFSPRGZPLRK-KRWDZBQOSA-N 379.851 3.681 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Nc2ccccc2F)c1 6085862 ZVXYCULZHNIISA-UHFFFAOYSA-N 395.456 3.509 0 40 GHAB O=C(CCc1ccccc1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888866514 XVVUBPFSRVREHW-IRXDYDNUSA-N 389.421 3.628 0 40 GHAB Cn1cc(-c2ccc(CCNC(=O)c3cc(Br)cs3)cc2)cn1 1889215592 XGELOGISLOFOSG-UHFFFAOYSA-N 390.306 3.884 0 40 GHAB Cn1ccnc1[C@H](NC(=O)/C=C/c1ccc(Br)o1)c1ccccc1 23773790 UBRXKOOLOIKLEF-SYJIQKIWSA-N 386.249 3.695 0 40 GHAB Cc1ccc(C)c(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C)C(=O)N23)c1 7616067 JQMHHAHISLEOCH-AWEZNQCLSA-N 392.484 3.654 0 40 GHAB COc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(F)cc3)n2)cc1OC 49006929 SUGDOHUCFJXTBU-UHFFFAOYSA-N 397.406 3.626 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCOc2ccc3ccccc3c2)c2ccc(C)cc21 4987925 AHEDCWYFZFKYLL-XMMPIXPASA-N 389.451 3.741 0 40 GHAB O=C(/C=C/c1ccc(Br)s1)NCc1ccnc(N2CCCC2)c1 30012361 CFORJEGQKQZGKT-GQCTYLIASA-N 392.322 3.835 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 40074357 CXQOMLXZJAKDNX-WUXMJOGZSA-N 399.468 3.784 0 40 GHAB C[C@@H]1CN(Cc2ccc(CNC(=O)CCc3ccccc3F)cc2)C[C@@H](C)O1 40087469 IYSVGIYQIQPONC-QZTJIDSGSA-N 384.495 3.684 0 40 GHAB CC(C)NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2c(F)cccc2F)c1 40150859 HUGQQARWUCRBTF-UHFFFAOYSA-N 388.823 3.557 0 40 GHAB Cc1n[nH]c(C)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 40156417 NZJFASSZBPKTLH-FQEVSTJZSA-N 376.416 3.522 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NOCc2ccccc2)cc1 31615962 IEVANKHCYUBTFP-UHFFFAOYSA-N 385.423 3.556 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(SCC(=O)c2cc(C)ccc2C)nc1 31746215 YIWASSFNDOKJDU-UHFFFAOYSA-N 392.546 3.704 0 40 GHAB COc1ccc(CNC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 11760331 CAPPVDSANIZFMD-SFHVURJKSA-N 384.505 3.865 0 40 GHAB CC(=O)c1ccccc1OCCN(c1ccncc1)S(=O)(=O)c1ccccc1 11887618 MLQQYKIOWYGDPO-UHFFFAOYSA-N 396.468 3.559 0 40 GHAB O=C(c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCCC1 980817 OFEHBFIBLVXPJC-JOCHJYFZSA-N 380.513 3.739 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(C(C)(C)C)ccc2O)no1 21006614 GVPHYBLOPZABMQ-GFCCVEGCSA-N 391.493 3.685 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)C1 21277190 MGIMBSBCOIRPMG-TXEJJXNPSA-N 383.366 3.695 0 40 GHAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1O[C@H](C)C(=O)OC 3121514 QTZURCMSQWKDHN-GFCCVEGCSA-N 396.395 3.691 0 40 GHAB C[C@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 3316574 GASAFGRDRSPZLM-LBPRGKRZSA-N 380.366 3.955 0 40 GHAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccc(Cl)cn1 3471150 UUDYMCDQUQPIRV-UHFFFAOYSA-N 376.894 3.959 0 40 GHAB COc1ccc2nc(NC(=O)CCc3c(C)nc4cc(C)nn4c3C)sc2c1 32738547 XARLSLOXATYGGR-UHFFFAOYSA-N 395.488 3.844 0 40 GHAB O=C(Oc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4544938 PFWBGXFUCLCCQU-QXUMQBBKSA-N 393.826 3.871 0 40 GHAB Cc1cc(C)cc(OCC(=O)NC(=S)Nc2ccccc2N2CCCC2)c1 6571482 APLSQDCHEICUMY-UHFFFAOYSA-N 383.517 3.796 0 40 GHAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccccc1Cc1ccccc1 6650114 MCGUSPJXEBDYEO-UHFFFAOYSA-N 394.496 3.585 0 40 GHAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCc3ccccc3)o2)c1 7540524 WLQFUCKUAPRSKR-UHFFFAOYSA-N 379.412 3.810 0 40 GHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cccc2ccccc12 32999536 RVEMCLPCQLBPGO-UHFFFAOYSA-N 389.455 3.899 0 40 GHAB COc1cc(C(=O)OCc2nnc(C)o2)ccc1OCc1ccccc1Cl 32910650 HFCHBHHGDYDZPH-UHFFFAOYSA-N 388.807 3.976 0 40 GHAB CSCC[C@@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)c1nc2ccccc2[nH]1 32990902 BPZSKSMRKUXRCA-QZTJIDSGSA-N 395.484 3.775 0 40 GHAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCc1ccccc1 10314400 GRDRWFCVSFGNCY-UHFFFAOYSA-N 394.496 3.768 0 40 GHAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3ccccc3s2)cc1OC 57996780 OKJQZCIUPKVWAZ-UHFFFAOYSA-N 390.486 3.924 0 40 GHAB CC[C@@H]1C=CC[C@@H]2C(=O)N(CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 100639513 LQRUMGGMHSEQQW-RSAASHCRSA-N 381.259 3.519 0 40 GHAB Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C3CCCC3)C(C)C)CC2)c1 57669591 PZIBEPXOXXNQOA-NRFANRHFSA-N 382.556 3.924 0 40 GHAB CN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(Cl)cc2)CC1 12531823 HYYAORWXVISCBX-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](Cc3ncc[nH]3)c3ccccc3)cc2)n1 12507521 MFPXETKDFJJWEU-NRFANRHFSA-N 385.471 3.926 0 40 GHAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)nc1 24764854 IWONZWLQRDZRHA-UHFFFAOYSA-N 387.505 3.596 0 40 GHAB C[C@H](O)CN1CCC(CN(C)Cc2c(-c3ccccc3)nc3ccccn23)CC1 106125960 YCDCRNJTXIJYFS-IBGZPJMESA-N 392.547 3.526 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)c1 1393171 DHXNICYUGPHUTC-UHFFFAOYSA-N 392.908 3.986 0 40 GHAB Cc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)c(C)c1 24926079 IEUUDYLWLWGEFS-HSZRJFAPSA-N 391.471 3.629 0 40 GHAB S=C(c1cn(Cc2ccccc2)nn1)N1CCC(Cc2ccccc2)CC1 1417904 RJJYYYYDPYKTHZ-UHFFFAOYSA-N 376.529 3.957 0 40 GHAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ncc(Cl)cc1Cl 3260765 KMMIOCZLBJAONT-UHFFFAOYSA-N 376.199 3.732 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(F)c(N(C)C)c(F)c1 55953394 BOGVNNLBEPCLEQ-LJQANCHMSA-N 385.414 3.934 0 40 GHAB CCOC(=O)C[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1cccc(OC)c1 55536706 XECWBGLHZRPYIO-QGZVFWFLSA-N 393.386 3.721 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)N(C)C[C@H]2COc3ccccc3O2)n1 44208554 LGIBSAYTZLWURI-KRWDZBQOSA-N 392.459 3.793 0 40 GHAB CSc1ccc([C@H]2[C@@H]3C(=O)N(CC(C)C)C(=O)[C@H]3ON2c2ccccc2)cc1 101130001 LCXVJDNUTWFYDK-UFYCRDLUSA-N 396.512 3.911 0 40 GHAB CSCc1nc2ccccc2n1CC(=O)NCc1ccccc1OC(F)F 10115065 ILJINOGTQAODLL-UHFFFAOYSA-N 391.443 3.817 0 40 GHAB O=C([C@H](F)C(F)(F)F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 25868729 IUGWFAGUFNIPTR-SFHVURJKSA-N 380.385 3.821 0 40 GHAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)s1 306140670 VAHZUBYTCQIYFS-JOCHJYFZSA-N 390.512 3.651 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 64475430 VSCOAQCFLQHYFV-UHFFFAOYSA-N 378.519 3.738 0 40 GHAB O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cc(-c2ccco2)[nH]n1 48299203 QFPVTMNFVQAXRV-UHFFFAOYSA-N 378.363 3.926 0 40 GHAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(N(C)C)cc1 2371396 FWDHEXSLYOOVST-FQRUVTKNSA-N 376.437 3.838 0 40 GHAB COc1cccc(-c2cc(C(F)(F)F)nc(N(C)Cc3ccnn3C)n2)c1 36613882 TVDZQKUYRYKMQV-UHFFFAOYSA-N 377.370 3.541 0 40 GHAB CC(C)[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)OCCCO2 12771386 CHBQFWBHPDASRS-HXUWFJFHSA-N 375.490 3.665 0 40 GHAB C[C@@H](CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)NC(=O)c1ccccc1 11418298 QHNYKMURGZQCTB-AWEZNQCLSA-N 399.878 3.614 0 40 GHAB O=C(COCc1ccccc1Cl)NCc1ccnc(OCC(F)(F)F)c1 48355615 UBQAJUUXPNCRDX-UHFFFAOYSA-N 388.773 3.509 0 40 GHAB Cc1ccc(CNC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1F 11551601 IVXGAHPHADTJTM-UHFFFAOYSA-N 381.407 3.979 0 40 GHAB CC[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CCO1 29153736 OBFQIFHBTIZZBT-HXUWFJFHSA-N 375.472 3.849 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C3CC3)n2Cc2ccco2)c1C 12810604 PHHMYXRDNJPEQG-UHFFFAOYSA-N 398.488 3.919 0 40 GHAB CC(C)C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N1C(=O)c2ccccc2C1=O 3440008 WIJMKVCYDZSSSP-LEWJYISDSA-N 390.483 3.891 0 40 GHAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1Cc2ccccc2[C@H](c2ccccc2)C1 12947312 QAYIWKFISHDWBR-GGAORHGYSA-N 398.510 3.867 0 40 GHAB Cc1cccc(NC(=O)[C@@H](C)SCc2cccc(S(=O)(=O)N(C)C)c2)c1 13012727 SSRCEFKYXITSKY-OAHLLOKOSA-N 392.546 3.506 0 40 GHAB CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)/N=c1\[nH]c2ccccc2s1 13552482 HZXBJUOLTPGRPM-QAPCUYQASA-N 395.509 3.705 0 40 GHAB Cc1ccc2nsnc2c1S(=O)(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4127548 UOGUERLATFLADA-XUXNNNHQSA-N 391.562 3.883 0 40 GHAB O=C(Nc1ccnn1Cc1cccs1)c1ccc(OC[C@H]2CCCO2)cc1 9336841 BBVLOGOGDFKMLE-QGZVFWFLSA-N 383.473 3.803 0 40 GHAB Cc1cccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)c1 5388349 IORSTOZQVJTVSO-UHFFFAOYSA-N 398.260 3.620 0 40 GHAB CS(=O)(=O)/N=C(\O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 65764015 SFFQXLGPSAIULN-UHFFFAOYSA-N 398.271 3.926 0 40 GHAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(COc2ccc(Cl)cc2)o1 5486865 ZHHOSRPURYUOAA-UHFFFAOYSA-N 395.806 3.740 0 40 GHAB CC(=O)N1CCC(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)CC1 6590675 WTAWWMKNQWHBQC-UHFFFAOYSA-N 376.460 3.507 0 40 GHAB COC(=O)c1ccccc1NCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 4620675 KFYDVMBRCAETEY-MHWRWJLKSA-N 386.404 3.718 0 40 GHAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1OC 4734714 HNSXVTUERIRPQE-GOSISDBHSA-N 379.416 3.515 0 40 GHAB CCN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)CC1 4738626 OJQNUUUFAFZMMQ-UHFFFAOYSA-N 387.911 3.808 0 40 GHAB Nc1nc(COC(=O)c2ccc(C(F)(F)F)cc2)nc(Nc2ccccc2)n1 5701968 OUZSFARKJBERKO-UHFFFAOYSA-N 389.337 3.573 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)c3cccc(Cl)c3)n2)cc1OC 4943490 SEJZJFQCSUKWLU-UHFFFAOYSA-N 387.823 3.679 0 40 GHAB CN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1nc2ccccc2s1 7245257 JUHRUJFOYPUFNG-UHFFFAOYSA-N 380.517 3.967 0 40 GHAB C[C@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NC(=O)NC(C)(C)C 15695620 MUTPJJYMUVWANW-AWEZNQCLSA-N 384.432 3.649 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)c(Cl)c2)cc1 20489131 HHNPUXGYTYNPHO-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB COc1cc(OC)cc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 24560093 UVERKFWHZORLKO-NRFANRHFSA-N 391.471 3.756 0 40 GHAB O=C(c1cnc2ccccc2n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8279461 SWFPIKTYRGQSMA-LJQANCHMSA-N 375.428 3.768 0 40 GHAB C[C@@H](NC(=O)NCc1cccc(CN2CCCC2)c1)c1ccc2c(c1)OCCO2 70007191 KDJXMMLAGVLVGJ-QGZVFWFLSA-N 395.503 3.614 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1cccnc1 9481263 SERUNDFOCHLDEE-REXAPNPKSA-N 384.435 3.602 0 40 GHAB O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)NCc2ccco2)cc1 17079119 AZYGRNJRLHUZOV-UHFFFAOYSA-N 387.486 3.567 0 40 GHAB CC(C)c1ccc(OCc2nnc(SCc3cn4ccccc4n3)n2N)cc1 9516765 APOQHUGTVZRKKG-UHFFFAOYSA-N 394.504 3.634 0 40 GHAB Clc1ccc(OCCn2nnc(-c3ccsc3)n2)c(Br)c1 84341346 GGYGBHIDEVSGRC-UHFFFAOYSA-N 385.674 3.897 0 40 GHAB O=C(c1cc2cc(Br)ccc2o1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F 84451749 LYLOEEXBOPIASL-ZWNOBZJWSA-N 392.171 3.723 0 40 GHAB CC(C)C(=O)Nc1ccc(C(=O)Nc2ncccc2OCc2ccncc2)cc1 95947016 HDQXGBABWBYLOZ-UHFFFAOYSA-N 390.443 3.902 0 40 GHAB Cn1ncc2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)n3)cc21 544975213 BOKKJWAJVGFZKA-AWEZNQCLSA-N 393.834 3.797 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 408563436 VVFZDINNQLFXCK-UHFFFAOYSA-N 375.494 3.978 0 40 GHAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCC(=O)OC 409136454 URYFLUISEMRNRR-ATVHPVEESA-N 381.428 3.544 0 40 GHAB COc1ccccc1C1(CNC(=O)CN2C(=O)CCc3ccccc32)CCCC1 520324308 NVHDEOYQTZOBPK-UHFFFAOYSA-N 392.499 3.603 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)cc(C)c3)n2)c1 219553798 AJODCDVBQXLCDT-INIZCTEOSA-N 395.459 3.788 0 40 GHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1C 214496208 ABHKLGMFKACDCR-GZTJUZNOSA-N 382.441 3.679 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@H]2CCCCN2C(=O)c2cnccn2)n1 72383776 NPCRNUDYLLWSLC-GOSISDBHSA-N 375.432 3.735 0 40 GHAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H](c3ccccc3)n3cccc3)nc21 62021925 YHRZGLJNJCTQQV-CRAIPNDOSA-N 395.484 3.766 0 40 GHAB Cc1ccc([C@@H]2CN(CC(=O)N3CCC[C@@H](C)[C@@H]3C)C[C@H]2c2csnn2)cc1 72341403 OKXDKRMWHYEUNX-LCLWPZTBSA-N 398.576 3.677 0 40 GHAB CCOc1ccc(C(=O)N2CCN=Cc3cc(N)ccc32)cc1Br 73642387 OXNRYYRYAPHVFJ-UHFFFAOYSA-N 388.265 3.509 0 40 GHAB O=C(CN1C(=O)c2cccc3cccc1c23)NCc1cccc(CN2CCCC2)c1 224604470 DUGYWCXPQDKQIA-UHFFFAOYSA-N 399.494 3.712 0 40 GHAB COc1ccccc1-c1ccc(=O)n(CC(=O)c2ccc(Br)cc2)n1 40288263 BZGMRHVXWZDQQK-UHFFFAOYSA-N 399.244 3.564 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1cccc(C(=O)OC)c1C 225582194 WEEUCHCECHLNQC-MRXNPFEDSA-N 377.554 3.723 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CCn1ccc3cccc(OC)c31)CC2 49543505 NQVJVINHSBPMQS-UHFFFAOYSA-N 394.471 3.642 0 40 GHAB biogenic CCCCNC(=O)C1CCN(c2ccc(Sc3cccc(F)c3)nn2)CC1 45922784 ZRWZQIONDVNIOS-UHFFFAOYSA-N 388.512 3.900 0 40 GHAB O=C(Oc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)c1cccs1 227115788 XHGZYNLGRJNQFF-FMTANCSMSA-N 391.448 3.525 0 40 GHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 224540009 KEZVTRZTYKTHBV-UHFFFAOYSA-N 388.470 3.810 0 40 GHAB CC(=O)Nc1ccc([C@@H]2CC(=O)c3cc4c(cc3-n3cccc32)OCCO4)cc1 225381092 BLKPKQDZCRDTLN-KRWDZBQOSA-N 388.423 3.925 0 40 GHAB CCOc1ccc(-c2noc(CNC(=O)c3cc4ccccc4s3)n2)cn1 225816612 ZRVIRZYEGFUHKV-UHFFFAOYSA-N 380.429 3.675 0 40 GHAB O=C(CCN1C(=O)COc2ccccc21)Nc1cc(-c2ccccc2)ns1 84560179 AAHOPSTTWFTOKL-UHFFFAOYSA-N 379.441 3.564 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3cccc(F)c3)c2)cc1 224078677 RRCYGVFJKCSCKN-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 222918870 DOKDVZQXOUENFY-CQSZACIVSA-N 393.314 3.742 0 40 GHAB CCc1ccc(-c2ccc(=O)n(CCC(=O)NCCC3=CCCCC3)n2)cc1 41253958 SUFSCBZHKNMPAK-UHFFFAOYSA-N 379.504 3.870 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 222402256 RICCTZAZRHIUAP-JOCHJYFZSA-N 396.531 3.878 0 40 GHAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2cc(Cl)ccc21 44049365 INDRQZOTLLHTLW-UHFFFAOYSA-N 389.864 3.729 0 40 GHAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(N3CCCC3)cc1)CCCC2 224938031 OELSVWUHCXJJNY-UHFFFAOYSA-N 386.517 3.975 0 40 GHAB Cc1cc(NC(=S)NC(=O)c2ccc(F)cc2)cc(Br)c1O 226243757 BWIJWHIIFADKTI-UHFFFAOYSA-N 383.242 3.729 0 40 GHAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 223220303 WECUKFLBUCXNBE-LEWJYISDSA-N 397.592 3.922 0 40 GHAB COc1cccc(CN(C(=O)Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)c1 224446960 HEQRDXLYFGCJLJ-LJQANCHMSA-N 396.531 3.736 0 40 GHAB CS(=O)(=O)N[C@H](CC(=O)Nc1cccc2ccccc12)c1ccc(F)cc1 225945700 PUJZJDKPBLPLLY-LJQANCHMSA-N 386.448 3.598 0 40 GHAB CN1CCC(Oc2ccc(CNC(=O)CSCc3ccccc3)cc2)CC1 95481677 CGJDHTRTEQDRSF-UHFFFAOYSA-N 384.545 3.709 0 40 GHAB COCCn1cc(CCC(=O)N2CCO[C@@H](c3ccccc3)C2)c2ccccc21 95480505 AOFAYSYYYROPJU-HSZRJFAPSA-N 392.499 3.820 0 40 GHAB Cc1cc(OC2CN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc(=O)n1C1CC1 245060710 PXKUEUMTJYSXFV-UHFFFAOYSA-N 393.270 3.702 0 40 GHAB O=C(C1CC1)N1CCCc2cc([C@H](O)CN3CC[C@@H]4CCCC[C@H]4C3)ccc21 247757061 FCLGTCLZAQCHJG-JWNTYJGQSA-N 382.548 3.921 0 40 GHAB COc1cccc2cc(C(=O)NC[C@H](c3ccco3)N3CCSCC3)oc12 253406446 UMLJHGCAKDOECH-OAHLLOKOSA-N 386.473 3.554 0 40 GHAB COc1cccc(CN2CCC(c3n[nH]cc3C(=O)N3CCCCCC3)CC2)c1 257237774 HIDDQLRJONUZER-UHFFFAOYSA-N 396.535 3.814 0 40 GHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCCN(Cc2cscn2)C1 257205312 AYLUVRGJJFEPPS-ZDUSSCGKSA-N 386.546 3.834 0 40 GHAB COc1ccccc1C(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2 257268660 MMPKWXQKICDODC-LJQANCHMSA-N 380.488 3.595 0 40 GHAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCN(C(=O)Cc3ccccc3)C2)n1 257323308 WJPOHTWNKSPSAJ-QGZVFWFLSA-N 393.516 3.852 0 40 GHAB CN(C)c1ncccc1CN1CCO[C@@H](c2cccc(Cc3ccccc3)n2)C1 257266556 MDNJPVYIBTYCNL-HSZRJFAPSA-N 388.515 3.707 0 40 GHAB Cc1nccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)n1 257286294 PLBGDHXPLJVFQL-IBGZPJMESA-N 380.423 3.870 0 40 GHAB C[C@@]12C[C@H]3CN[C@@H]1CCCC[C@@H]2N3C(=O)c1ccnc(Cc2ccccc2)c1 257211363 BYPJZCGNDPCLPP-HYVLGVRCSA-N 375.516 3.808 0 40 GHAB C[C@]12CCCN(C(=O)c3ccc(Cc4ccccc4F)nc3)[C@H]1CCCCN2 257213176 CGLWJJNGLARWKM-GMAHTHKFSA-N 381.495 3.948 0 40 GHAB O=C(c1ccc2c(c1)CCOC2)N(CCn1ccnc1)Cc1cccc(Cl)c1 614360027 FXYORLZCOWLOMX-UHFFFAOYSA-N 395.890 3.952 0 40 GHAB O=S(=O)(CCc1cc(Cl)c2c(c1)OCCCO2)C[C@@H]1CC[C@@H]2C[C@H]2C1 621996235 PSHMKGPQUNMAJB-BZUAXINKSA-N 384.925 3.895 0 40 GHAB COc1ccc(C(=O)N2CCCCCC2)cc1NCc1cc2n(n1)CCCC2 650114129 JEKBZMJLCYTOOJ-UHFFFAOYSA-N 382.508 3.856 0 40 GHAB O=C(NCc1ccc(OCc2ccccc2F)cc1)N1CC2(C1)CC2(F)F 654533692 TXCNDURCQNEWPG-UHFFFAOYSA-N 376.378 3.955 0 40 GHAB N[C@@H](C(=O)N1CCC(c2ccc3cccnc3n2)CC1)c1cccc(Cl)c1 655492942 IJJSKLQANNTSAF-LJQANCHMSA-N 380.879 3.689 0 40 GHAB COc1cccc(C(=O)NCc2ccc([C@@H](O)c3cccs3)s2)c1OC 90613590 YJXNTAWZRUQDOX-KRWDZBQOSA-N 389.498 3.839 0 40 GHAB CC(C)c1ccc(CN2CCc3oc(C(=O)N[C@@H]4CC[C@@H](F)C4)nc3C2)cc1 585112555 RHICXODJFVTLES-QZTJIDSGSA-N 385.483 3.977 0 40 GHAB O=C(CSc1ncnc2ccsc12)NCC1(c2ccccc2)CCOCC1 48369125 ZGUNTTZNMVZHCM-UHFFFAOYSA-N 399.541 3.648 0 40 GHAB COC(=O)C[C@@H]1c2cc(OC)c3cccc(OC)c3c2CC[C@]1(C)C(=O)OC 5732168 RIUTZYSUTYGRHE-ZHRRBRCNSA-N 386.444 3.629 0 40 GHAB COc1ccc(C(=O)Nc2cc3c(C)nn(-c4ccccc4)c3oc2=O)cc1 14291661 PSVPYNVGRXVEPT-UHFFFAOYSA-N 375.384 3.548 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2sccc2C)c1 18092618 NZSGBNXMBZBKAF-UHFFFAOYSA-N 380.535 3.956 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1[N+](=O)[O-] 8165961 DFEMSRXSAJKMHT-RQZCQDPDSA-N 395.396 3.712 0 40 GHAB CC1=C(C(=O)OC(C)(C)C)C(c2ccccn2)C(C(=O)OC(C)(C)C)=C(C)N1 19418526 KUAFXMITFTVGSO-UHFFFAOYSA-N 386.492 4.000 0 40 GHAB COc1cc(C)c(CN2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)cc1C 19567261 ALEWXPPXXSTKKP-HSZRJFAPSA-N 381.520 3.796 0 40 GHAB Cc1onc(C(=O)NC(C)(C)CN2CCC[C@H](C)C2)c1CN1CCCCCC1 19579538 LTQXITAEXKBACB-KRWDZBQOSA-N 390.572 3.599 0 40 GHAB COc1ccc(CCN2CCO[C@H](c3nccnc3-c3cccc(F)c3)C2)cc1 19693129 WVNVXDSPLSQPEB-NRFANRHFSA-N 393.462 3.907 0 40 GHAB CSc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 19935689 MFBHQOFTXNHSTP-UHFFFAOYSA-N 394.493 3.584 0 40 GHAB COc1cc(/C=C2/S/C(=N\c3ccccc3F)NC2=O)cc(OC)c1OC 5558402 CTYCUXFGXYWVCG-MHWRWJLKSA-N 388.420 3.743 0 40 GHAB O=C(NCC1CCN(C2CCOCC2)CC1)Nc1ccccc1C(F)(F)F 225566588 AJHQZYSKCVUOSG-UHFFFAOYSA-N 385.430 3.718 0 40 GHAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)C1CCC1 643584651 SDRFPTZFJATLNJ-IBGZPJMESA-N 386.536 3.975 0 40 GHAB O=C(Nc1ccnc(Oc2ccccc2Cl)c1)N1CC[C@@H]2CNC[C@@H]2CC1 556974458 QERDRIPBOBNUSB-GASCZTMLSA-N 386.883 3.991 0 40 GHAB CSCc1nnc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)o1 23184799 OEMABAZKGMGRDE-LLVKDONJSA-N 381.548 3.942 0 40 GHAB O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1ccc2ccccc2c1 4166891 NHKFQJDNZYVPMZ-UHFFFAOYSA-N 395.509 3.879 0 40 GHAB Cc1ccccc1NC(=O)C(=O)NCCc1csc(-c2cccc(F)c2)n1 4375529 RUFMDNOUUQHDFG-UHFFFAOYSA-N 383.448 3.555 0 40 GHAB O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1cccc(F)c1 4374699 NDMXLNOMYDUJLB-UHFFFAOYSA-N 384.411 3.709 0 40 GHAB CC(=O)c1s/c(=N\c2cc(C)cc(C)c2)n(CCCN2CCOCC2)c1C 5299021 YEWFACXNSLKHPW-DQRAZIAOSA-N 387.549 3.632 0 40 GHAB CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1 5441491 UVRQYHWXDGIEAJ-UHFFFAOYSA-N 382.460 3.792 0 40 GHAB COc1ccccc1NC(=O)CSc1nccn(-c2ccc(C)c(C)c2)c1=O 7615789 CQRJWGTWMLZBFH-UHFFFAOYSA-N 395.484 3.589 0 40 GHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@@H]1C[C@@H]2[C@H]2ON=C(c3ccc(Cl)cc3)[C@H]12 100204737 MAAYCDPIHURLKL-XUBKROCYSA-N 392.842 3.515 0 40 GHAB O=S(=O)(NCc1ccc([C@@H](O)c2ccccc2)s1)c1ccc(F)c(F)c1 211090831 DBZYTTVAHUTVIT-SFHVURJKSA-N 395.452 3.587 0 40 GHAB O=S(=O)(NCC[C@H](O)c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 225611906 DQQKZVUJWDFVOD-HNNXBMFYSA-N 393.814 3.761 0 40 GHAB O=C(Nc1cccc(Br)c1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4373882 YETLYBVKTMZXNZ-AWEZNQCLSA-N 392.228 3.515 0 40 GHAB O=C(NCc1cccc(Oc2ccccn2)c1)c1cncc(Br)c1 96122536 YMPOYQVFZAXIMT-UHFFFAOYSA-N 384.233 3.961 0 40 GHAB COC(=O)C[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1ccccc1 40071207 MDEGWWCVFOYJTA-MRXNPFEDSA-N 380.366 3.809 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)/N=c1\ccccn1Cc1ccc(C)cc1 29386446 FHELPGXMLPLESS-YYDJUVGSSA-N 398.466 3.780 0 40 GHAB O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@H](c2cccnc2)O1 1027093 AOYAKMISEMNJLY-IRLDBZIGSA-N 376.412 3.632 0 40 GHAB O=C(COc1ccccc1)N(c1nnc(-c2ccncc2)s1)C1CCCC1 1345660 KABQZFQPHBIJDP-UHFFFAOYSA-N 380.473 3.955 0 40 GHAB COc1cc(OC)cc(C(=O)N(CC(C)C)c2nnc(-c3ccncc3)s2)c1 1356721 NVYJXOYPGZBXJO-UHFFFAOYSA-N 398.488 3.920 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 1948913 UHQIJCCVKLTUQZ-UHFFFAOYSA-N 383.444 3.956 0 40 GHAB O=C(c1noc2c1CCc1ccccc1-2)N1CCN(c2ccc(F)cc2)CC1 2465938 HWCDLJBYVGTCBQ-UHFFFAOYSA-N 377.419 3.542 0 40 GHAB Cc1cc(S(=O)(=O)/N=c2\[nH]cccc2C)c(C(C)C)cc1Br 41096148 YZVDHKDZULOAFZ-UHFFFAOYSA-N 383.311 3.807 0 40 GHAB Cc1ccc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C 3605515 SRUSABISLKCTJC-UHFFFAOYSA-N 381.501 3.832 0 40 GHAB CCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccncc1 4161391 YOBKXIBZVYHJHV-UHFFFAOYSA-N 397.504 3.880 0 40 GHAB CCCc1ccc([C@@H](NC(=O)c2cnn(-c3ccc(O)nn3)c2C)C(C)C)cc1 32754815 CUPWWYPRBOOBTE-NRFANRHFSA-N 393.491 3.756 0 40 GHAB COc1cccc([C@H]2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C[C@H]2O)c1 4984622 TZKUEONYTUSAIP-NWXPRMMHSA-N 384.520 3.524 0 40 GHAB CCOc1ccc(C(=O)Nc2nn3c(-c4ccccc4C)nnc3s2)cc1 6818153 ULLHJSWRRAJQRV-UHFFFAOYSA-N 379.445 3.812 0 40 GHAB O=C(Cc1csc(COc2ccc(F)cc2)n1)NCCc1cccc(F)c1 32891596 JOLHZLBGHRYQPE-UHFFFAOYSA-N 388.439 3.902 0 40 GHAB COc1cc(Cl)c(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1OC 32883022 FPIWOUMEWRLCCT-CYBMUJFWSA-N 394.880 3.662 0 40 GHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 8041116 FNZKCSBADKLVOD-ROUUACIJSA-N 396.487 3.618 0 40 GHAB O=C(Nc1nc2c(s1)CCCCC2)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 100770455 BOMLIJOBOPJEMS-VKFLQFAXSA-N 397.548 3.938 0 40 GHAB Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 102623396 BXOPICYHPPSHOH-LVNJIZSUSA-N 386.451 3.867 0 40 GHAB COc1ccc(S(=O)(=O)NCC(c2ccccc2)c2ccccc2)cc1OC 8392598 UQWKCOWFTLMUCG-UHFFFAOYSA-N 397.496 3.814 0 40 GHAB O=C(COC(=O)CCC(=O)Nc1cccc2ccccc12)Nc1ccccc1 8415680 KBCRAZOICPWABZ-UHFFFAOYSA-N 376.412 3.740 0 40 GHAB COc1ccc(CN(C)CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc1 32934513 BQQFPIDTVUCZOU-UHFFFAOYSA-N 392.381 3.661 0 40 GHAB CC(=O)c1ccc(OC[C@@H](O)CN2CCC(c3c[nH]c4ccccc34)CC2)cc1 8726788 UAAJDJRCRCVQTA-FQEVSTJZSA-N 392.499 3.990 0 40 GHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc(F)cc3)ccc21 8958700 JLBVCLWFGCDLDO-UHFFFAOYSA-N 386.423 3.615 0 40 GHAB Cc1ccc(NC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1Cl 58107458 HPGLTPDUKXLTEQ-UHFFFAOYSA-N 381.904 3.576 0 40 GHAB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCN(Cc2ccc(Cl)cc2)CC1 10382274 ZEDFDAOFUGMMTO-UHFFFAOYSA-N 388.855 3.988 0 40 GHAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 21919306 JXOBEZAUXAXVRQ-DSQUVOCVSA-N 386.511 3.532 0 40 GHAB O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc2c(c1)OCCO2 8313648 UXJQMGOTGASYPK-SFHVURJKSA-N 379.865 3.541 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 109016779 MAMJCSITLXOTFM-JYJNAYRXSA-N 393.553 3.524 0 40 GHAB Cc1ccc(CN2C[C@H](C(=O)Nc3nc4c(s3)CCCCC4)CC2=O)cc1 21902067 TYAGALUBOBEKOQ-MRXNPFEDSA-N 383.517 3.708 0 40 GHAB O=C(NCCCn1cnc2ccccc21)c1nn(-c2ccccc2)c2c1CCC2 12508767 MRSGVUOGPSWKLR-UHFFFAOYSA-N 385.471 3.531 0 40 GHAB O=C1CCCN1c1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 12508049 PULXMAIWLANMSU-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB C[C@@H]1CCc2c(sc3nnn(Cc4ccc(Br)cc4)c(=O)c23)C1 958784 LHXJGKUMHFVZQU-SNVBAGLBSA-N 390.306 3.789 0 40 GHAB COc1ccc(CCNC(=O)Cc2c(SC)c3ccccc3n2C)cc1OC 1071894 QMBGLQRZJIQQPF-UHFFFAOYSA-N 398.528 3.819 0 40 GHAB CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 3245087 GAKHJIMGNZLPNG-INIZCTEOSA-N 382.460 3.919 0 40 GHAB CC(=O)Nc1cc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)ccc1F 24459194 GJLIGWIBXRUPKB-UHFFFAOYSA-N 399.451 3.652 0 40 GHAB COc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc(Cl)cc3F)c(C)c12 24574627 AXOMSXDZTADYQI-UHFFFAOYSA-N 390.846 3.958 0 40 GHAB O=c1c(-c2nc(C3CC3)no2)cccn1Cc1noc(-c2ccccc2Cl)n1 77100839 KYTJZPMRNVFUBS-UHFFFAOYSA-N 395.806 3.527 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCSc3ccccc32)cc1 57394733 CNZCOSPOUMSRCL-UHFFFAOYSA-N 390.530 3.516 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)N(C2CC2)[C@H](C)C(C)C)cs1 48275891 NLICXHSMSIFCPD-GFCCVEGCSA-N 375.494 3.875 0 40 GHAB COc1ccc(OC)c(CCC(=O)Nc2ccc(Oc3ncccn3)cc2)c1 48201846 KEDSZBHROBTGMB-UHFFFAOYSA-N 379.416 3.857 0 40 GHAB CCOC(=O)c1nc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)cs1 58167393 STOWOTPQQTUGIZ-UHFFFAOYSA-N 394.443 3.693 0 40 GHAB COc1cc(OC)c(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl 12770802 DSEFEGICDPNJPB-UHFFFAOYSA-N 398.887 3.943 0 40 GHAB Cc1nc(NC(=S)NC(=O)c2ccc(Cl)cc2)ccc1Br 2263393 MKZXRRMJSPOETI-UHFFFAOYSA-N 384.686 3.933 0 40 GHAB O=C(Nc1ccc(CNS(=O)(=O)c2ccccc2C(F)(F)F)cc1)C1CC1 10670016 LZUWIQZWPYMSBO-UHFFFAOYSA-N 398.406 3.532 0 40 GHAB Cc1cc(C(=O)CSc2nncn2-c2ccccc2)c(C)n1C[C@@H]1CCCO1 3546111 XCLOPYQIHZAAAI-SFHVURJKSA-N 396.516 3.840 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 12928403 QMBUAXHXNYRIPC-UHFFFAOYSA-N 396.299 4.000 0 40 GHAB COc1ccc(-c2nc(CC(=O)Nc3ccccc3C(=O)O)cs2)cc1OC 12990878 GCTQZNMXYLMKFK-UHFFFAOYSA-N 398.440 3.707 0 40 GHAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)cc2O)cc1 13000611 OFRFTKOEISOYNP-UHFFFAOYSA-N 384.461 3.659 0 40 GHAB COc1ccc(CCN(C)C(=O)C2CCN(Cc3ccccc3)CC2)cc1OC 13451797 HBGHPKRNAKAITG-UHFFFAOYSA-N 396.531 3.617 0 40 GHAB Cc1ccn2cc(-c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)nc2c1 6147832 YVRRAAJVEIJMOT-IAGOWNOFSA-N 383.517 3.976 0 40 GHAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)C1=Cc2cc(Cl)ccc2OC1 8519958 VYTBFHVZRLMMHV-LJQANCHMSA-N 383.831 3.679 0 40 GHAB COc1cccc(NC(=O)[C@H](Oc2ccc(C(N)=O)cc2)c2ccccc2)c1 14183808 BVAZLRXPVYJXKT-HXUWFJFHSA-N 376.412 3.553 0 40 GHAB CCOCCCNC(=O)c1cc(C)nc2c1cnn2Cc1ccc(CC)cc1 14197398 CTAVFKWHNCCDBX-UHFFFAOYSA-N 380.492 3.507 0 40 GHAB O=C(CN1CCN(Cc2ccsc2)CC1)Nc1cc(Cl)cc(Cl)c1 22913813 QRNKFAWUJXPYLE-UHFFFAOYSA-N 384.332 3.811 0 40 GHAB Cc1ccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccccc2)cc1 4592042 QDZPZEIKCAZSHK-UHFFFAOYSA-N 398.459 3.968 0 40 GHAB O=C(Oc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1)c1cccc2ccccc12 4556446 KRLDULOSHQRRFI-OALUTQOASA-N 379.437 3.847 0 40 GHAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 6549672 DHUNTEPXPUASTL-DEOSSOPVSA-N 388.467 3.532 0 40 GHAB COc1ccc(-c2n[nH]c3c2[C@H](c2cccc(OC)c2OC)CC(=O)O3)cc1 4626330 BEYAUUTZQGVKKK-HNNXBMFYSA-N 380.400 3.544 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc(OC)c(OC)c3)s2)cc1 5500127 YWYICZCJYFITAM-IZZDOVSWSA-N 397.456 3.883 0 40 GHAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(Cl)cc2Cl)C1=O 6653262 KGCSOHNAPMFHFT-GOSISDBHSA-N 377.227 3.643 0 40 GHAB C[C@H](Sc1nncn1C)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 5667173 JVMGYCIVVAPZGQ-QMMMGPOBSA-N 375.504 3.695 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ncccc23)cc1 6881971 BUATYKUDCNVOQI-UHFFFAOYSA-N 383.473 3.518 0 40 GHAB CCSCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(Cl)c1 4987089 AFIBFVYAHPWBIO-OAHLLOKOSA-N 378.885 3.517 0 40 GHAB O=c1c2cc(-c3ccc4c(c3)OCO4)nn2ccn1Cc1ccc(F)cc1Cl 67260789 JXHGQUZBZADIHR-UHFFFAOYSA-N 397.793 3.733 0 40 GHAB C[C@H]1CCc2c(sc(NC(=O)Cc3c(F)cccc3Cl)c2C(N)=O)C1 7006525 VYQJENLOEFZVCH-VIFPVBQESA-N 380.872 3.946 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 15330283 DJOFEQYUUYJBEC-LLVKDONJSA-N 387.379 3.532 0 40 GHAB CN(CC(=O)Nc1ccccc1Br)C(=O)c1cc2ccccc2o1 15478240 YXYMEQCAPDAVFV-UHFFFAOYSA-N 387.233 3.906 0 40 GHAB CC(C)CCNC(=O)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 71283337 BKJVOEBLYOXHBN-UHFFFAOYSA-N 394.519 3.817 0 40 GHAB O=C(COC(=O)C1(c2ccccc2)CCCC1)NC(=O)Nc1ccccc1F 7512152 YLAPIAFXWRGMIW-UHFFFAOYSA-N 384.407 3.529 0 40 GHAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc2c(ccc3ccccc32)s1 7670818 KDDCDTRBXFRISA-UHFFFAOYSA-N 387.420 3.684 0 40 GHAB O=C(CSc1ccc2c(c1)OCCCO2)c1ccc(N2CCCC2=O)cc1 7773605 MFMLTTRHMCXURU-UHFFFAOYSA-N 383.469 3.950 0 40 GHAB O=C(Cc1noc2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1 8192416 ZZRLCEUYVRSCEB-UHFFFAOYSA-N 387.443 3.994 0 40 GHAB COc1ccc(OC)c2c1CN(C(=O)Cc1cc(Cl)ccc1Cl)C[C@H]2O 78718445 SEILEDRGWUSCNR-OAHLLOKOSA-N 396.270 3.629 0 40 GHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1nc(-c2ccccn2)cs1 9658223 QSTHVHDJTAPILH-HNNXBMFYSA-N 382.470 3.647 0 40 GHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)N[C@H]1COc2ccccc21 84579164 KJGITLLLZMPDFC-INIZCTEOSA-N 380.366 3.698 0 40 GHAB COc1cc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)cc(OC)c1OC 79189069 PYZZKMIICIRASO-UHFFFAOYSA-N 385.460 3.997 0 40 GHAB biogenic CC(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cnn(C)c2)CC1 95482704 PDXIBFNEIYICGG-GRERDSQWSA-N 396.535 3.549 0 40 GHAB COc1ccc(C(=O)Nc2c[nH]nc2[C@@H]2CCCN(C(=O)CC(C)(C)C)C2)cc1 95998770 GOJVCSSKHDDBQW-MRXNPFEDSA-N 398.507 3.813 0 40 GHAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccc4c(c3)CCO4)CC2)cc1 9985576 DSJWDBMHFRVPPT-YCRREMRBSA-N 391.467 3.765 0 40 GHAB O=C(c1ccc2c(n1)CCCC2)N1CCN(Cc2nc3ccccc3s2)CC1 89875076 MCMQFMOCTDNCRZ-UHFFFAOYSA-N 392.528 3.528 0 40 GHAB CCOc1cc2c(cc1CNC(=O)c1cc(OC)c(C)c(OC)c1)O[C@@H](C)C2 24318186 UMQLWZLRCRIATC-ZDUSSCGKSA-N 385.460 3.664 0 40 GHAB O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 9232411 FEBOTPHFXYHVPL-UHFFFAOYSA-N 381.451 3.769 0 40 GHAB biogenic,world Cc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)C(C)C)cc3n2)cc1 408621805 OBSRWXBLSUPPJP-UHFFFAOYSA-N 387.896 3.851 0 40 GHAB COc1ccc(NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)cc1OC 409411317 FWLRXZYTIRIMHO-ZDUSSCGKSA-N 376.412 3.844 0 40 GHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCCC[C@H]2C)cc1OC 32930741 OBVPSOPTWWYKFH-GOSISDBHSA-N 396.531 3.937 0 40 GHAB O=S(=O)(NCc1cccnc1Oc1cccc(F)c1)c1ccc(F)cc1F 32437741 KSLABDOMAKCYTF-UHFFFAOYSA-N 394.374 3.770 0 40 GHAB Cc1cc(-c2nnc(NC(=O)Cc3c(F)cccc3Cl)o2)nn1C(C)C 70653067 XJXNKBJXNQJSOA-UHFFFAOYSA-N 377.807 3.796 0 40 GHAB Cc1ccccc1CN1CCN(c2c(F)cccc2[C@@H](O)c2ccccn2)CC1 72340702 KFNCZCUGSSLLHR-XMMPIXPASA-N 391.490 3.933 0 40 GHAB COc1ccc(-c2cn(CC(=O)Nc3c(C)cccc3C)nc2N(C)C)cc1 62006994 WXFKYUCATDPEAG-UHFFFAOYSA-N 378.476 3.880 0 40 GHAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(C(=O)c2ccco2)CC1 30146050 ITGSTHDLBPJPFS-ZDUSSCGKSA-N 386.839 3.502 0 40 GHAB Cc1ccc(CNC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)cc1 71327967 UBNDJXRNGRWFLH-UHFFFAOYSA-N 389.499 3.603 0 40 GHAB CN(CC(=O)N1CCc2sccc2C1)Cc1ccc(OC(F)(F)F)cc1 40063159 HKVAILSTWRWECU-UHFFFAOYSA-N 384.423 3.663 0 40 GHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 223999381 YWWPQFFURAIBRS-OALUTQOASA-N 379.441 3.889 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)c(C)c2)ccc1C 223798672 HKYILHPHUTUTCG-UHFFFAOYSA-N 398.278 3.653 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1C 222505688 OEOGEYMGYAJIHW-AWEZNQCLSA-N 394.924 3.844 0 40 GHAB COc1cccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 224014737 NPBLKPWILKWSAA-SFHVURJKSA-N 394.515 3.714 0 40 GHAB CCOc1ccc(-c2nnc3sc(NC(=O)CCc4ccccc4)nn23)cc1 41108804 DPSOOFDHYWKVTA-UHFFFAOYSA-N 393.472 3.823 0 40 GHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 223211356 IEIBHNQFCJPTHB-CVEARBPZSA-N 380.970 3.721 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 223020199 XQPDKSSZVXIVKB-PMACEKPBSA-N 396.491 3.630 0 40 GHAB Cc1nc(COC(C)(C)C)oc1C(=O)N[C@@H](C)c1ccc(Br)cn1 575874515 ARNYXRDTHVUJJC-JTQLQIEISA-N 396.285 3.947 0 40 GHAB COc1cccc(CNC(=O)c2cc3c(s2)CCN3C(=O)c2ccccc2)c1 96146786 NQDGFRJPCPWVFC-UHFFFAOYSA-N 392.480 3.890 0 40 GHAB COc1cccc(-c2nc3c(s2)N(C(C)C)[C@@H](C(=O)N2CCCCC2)C3)c1 96146767 OTEWBHIEOUXYDA-GOSISDBHSA-N 385.533 3.971 0 40 GHAB CS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1ccc(-c2ccccc2)cc1 96519710 QEJSOYSWGAGFPY-LSDHHAIUSA-N 389.698 3.719 0 40 GHAB O=S(=O)(c1ccccc1)N1CC[C@@]2(CCN(Cc3ccc(Cl)cc3)C2)C1 96071103 HAMQJCMEXXUCPC-HXUWFJFHSA-N 390.936 3.627 0 40 GHAB Cc1noc(C)c1COc1ccc(CN(C)C[C@@H](O)COc2ccccc2)cc1 257284667 PDSMXPYNYHSFFN-HXUWFJFHSA-N 396.487 3.742 0 40 GHAB Cc1nn(C)c(OC[C@@H]2CCCCO2)c1C(=O)NCc1ccc2sccc2c1 585085615 ALYSABFEGYHWQR-KRWDZBQOSA-N 399.516 3.821 0 40 GHAB CCc1nccn1Cc1cc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCC[C@H]3O2)ccc1OC 257225175 FFEALYXMYMLHCH-YVNJGZBMSA-N 397.519 3.637 0 40 GHAB Cn1nccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257294901 QWEWPAZQMOFPDW-HNNXBMFYSA-N 384.867 3.672 0 40 GHAB O=C(CN1CCCCCC1)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257340812 ZHPRAHCNGMKLLF-HXUWFJFHSA-N 385.483 3.944 0 40 GHAB CN(CC(=O)O)[C@@H]1CCCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 263487864 NKZFNDDYCHZRHI-GOSISDBHSA-N 381.476 3.756 0 40 GHAB CO[C@H](C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)[C@H]1CCOC1 612755744 MEQQBXBSRYPAJL-SGTLLEGYSA-N 384.457 3.659 0 40 GHAB C[C@H](NC(=O)c1cc(C(F)(F)F)cnc1O)c1ccc(NC(=O)C2CC2)cc1 635224452 YXEQWZOOKOFLOQ-JTQLQIEISA-N 393.365 3.646 0 40 GHAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)Nc3ccccc3C(F)(F)F)C2)n1 390829537 ZQODJRWLKJKAKB-ZDUSSCGKSA-N 380.370 3.797 0 40 GHAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(OC(F)F)cc1 57851664 DTIIAHHVFRWMCP-UHFFFAOYSA-N 395.837 3.702 0 40 GHAB C[C@@H]1CN(C(=O)c2oc3ccccc3c2CSc2ncccn2)C[C@@H](C)O1 58418152 PIIFSMLJIYWMPL-ZIAGYGMSSA-N 383.473 3.765 0 40 GHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NCCc1cccs1 5317065 QMWGOJPMFCJKKL-UHFFFAOYSA-N 384.530 3.657 0 40 GHAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)on1 12118433 QKRGWMJFTQKCMY-CQSZACIVSA-N 383.477 3.533 0 40 GHAB OCCOc1ccc(CNc2ccccc2-c2nnc(-c3ccncc3)o2)cc1 12238315 DGOCIGLUGCQPMQ-UHFFFAOYSA-N 388.427 3.782 0 40 GHAB CCc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)no1 12276634 FZNXOZGMXMXEHV-GOSISDBHSA-N 377.448 3.533 0 40 GHAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCCCNCCCN)c1 12620893 LGSLAPLXBBVASH-UHFFFAOYSA-N 395.576 3.587 0 40 GHAB COc1ccc([C@H](NC(=O)c2ccccc2OC(F)F)c2nccn2C)cc1 16473969 RDQZGDGGPGAAJN-KRWDZBQOSA-N 387.386 3.550 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)on1 19119797 GCCJDFLNMNNTNE-LLVKDONJSA-N 376.363 3.785 0 40 GHAB COCCn1c(C)cc2cc(NC(=O)c3ccc(C(C)(C)C)[nH]c3=O)ccc21 19126314 ZVVCYDVAQLKKRS-UHFFFAOYSA-N 381.476 3.834 0 40 GHAB CCc1nccn1[C@@H](C)C(=O)N1CCC(COc2ccc(Cl)cc2)CC1 19666308 PHVJVQBVIXFIIO-HNNXBMFYSA-N 375.900 3.978 0 40 GHAB CCN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1CN(C(C)=O)C2(CCCCC2)C1 19695647 FECNRWPRKAJPQW-IBGZPJMESA-N 381.520 3.883 0 40 GHAB CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4cccnc4)sc3C)cc21 19796530 ZXIHSUBLDHRAML-UHFFFAOYSA-N 394.456 3.511 0 40 GHAB COC(=O)c1c(C)nc2ccn(-c3nccs3)c(=O)c2c1-c1ccc(F)cc1 19819244 LDGQQSOJKUKCCY-UHFFFAOYSA-N 395.415 3.743 0 40 GHAB CCC(=O)N1CCC2(CCCCc3ccccc3O[C@H](C)C(=O)N(C)C2)CC1 643564630 WZAYJTDRIQSQKE-GOSISDBHSA-N 386.536 3.658 0 40 GHAB CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1CCCC1 21874146 NKLNPUACEXNUOK-GOSISDBHSA-N 376.566 3.894 0 40 GHAB O=C1C[C@H]2[C@H](CCN2Cc2cccc(F)c2F)N1Cc1cccc(F)c1F 1565551274 LISQEZQVDSWMIY-IRXDYDNUSA-N 378.369 3.618 0 40 GHAB CCc1ccccc1NC(=O)Cn1cnc2c(sc3cccc(F)c32)c1=O 23119172 VEIVTWFRXQTDLA-UHFFFAOYSA-N 381.432 3.951 0 40 GHAB CC(C)n1nccc1-c1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)o1 36701473 BODGENJZJVKVRF-UHFFFAOYSA-N 389.843 3.964 0 40 GHAB Cn1cc(-c2ncccc2CNC(=O)C(c2ccccc2)c2ccccc2)cn1 575618033 GYCAJDIWPAZINF-UHFFFAOYSA-N 382.467 3.930 0 40 GHAB O=C(NC[C@H](c1cccs1)n1cccn1)c1cc(Br)cs1 575614572 XAVZUAWCADIZNP-LLVKDONJSA-N 382.308 3.788 0 40 GHAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40131544 SHZWRTRDWKFFQV-GJZGRUSLSA-N 388.899 3.541 0 40 GHAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)c1c[nH]c2ccc(F)cc12 20443723 FTJKJYHOGPXZJK-QPJJXVBHSA-N 377.463 3.821 0 40 GHAB CCOc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 839901 PWSYVFQLXLTNIZ-UHFFFAOYSA-N 390.505 3.613 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(Cl)c(Cl)c1 2627216 YUTOYIOZVWOUGF-UHFFFAOYSA-N 384.263 3.577 0 40 GHAB O=C(C[C@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1ccccc1O 1320585 ZFXRBJSASSGAEN-HSZRJFAPSA-N 391.398 3.539 0 40 GHAB CCN1C(=O)c2cccc3c(S(=O)(=O)NCCC4=CCCCC4)ccc1c23 1463309 UQRJRZAMCOTYKP-UHFFFAOYSA-N 384.501 3.989 0 40 GHAB CC[C@@H](CO)NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 4139843 IASAZPVIHDOTBO-GJZGRUSLSA-N 381.303 3.823 0 40 GHAB CCOc1ncccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 32854649 SXKTVANWYPMQFA-UHFFFAOYSA-N 375.428 3.663 0 40 GHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1 6709347 NJXDIJRQGHOSGS-UHFFFAOYSA-N 391.880 3.824 0 40 GHAB CCOc1ccc(CNC(=S)Nc2ccc(OC)cc2OC)cc1OCC 6935375 XGIRBJOZHYFSJI-UHFFFAOYSA-N 390.505 3.988 0 40 GHAB Cc1cc(=O)n2c(n1)NC(Nc1ccc(C(C)C)cc1)=N[C@H]2c1ccc(O)cc1 7495798 HLFKVBPJEAGZMR-HXUWFJFHSA-N 389.459 3.821 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 101244358 DBSDEURTFPMJNX-BNDYYXHWSA-N 392.971 3.584 0 40 GHAB CCC[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10326245 YFXGIMCYZLKFPQ-HOTGVXAUSA-N 386.517 3.745 0 40 GHAB COc1ccc(C(=O)Nc2cccc(C(=O)Nn3c(C)ccc3C)c2)cc1OC 8475642 HLOFUPMBIRPRLJ-UHFFFAOYSA-N 393.443 3.758 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2cccc(F)c2)c(C(=O)OCC)c1C 688816 VCVYZHAQIWYCHE-UHFFFAOYSA-N 379.409 3.801 0 40 GHAB CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)OC)cc1 89950285 WWQMKGPGADHZKV-OAHLLOKOSA-N 379.457 3.887 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCCNc1nc2ccccc2s1 47476331 RLFRWXWLRFGZGT-UHFFFAOYSA-N 385.537 3.536 0 40 GHAB COCCn1c(SCc2csc(C)n2)nc2sc(C)c(C)c2c1=O 22534976 QVEOLMUCQZVTCJ-UHFFFAOYSA-N 381.548 3.778 0 40 GHAB CN1CCN(c2nc(-c3ccc(Br)cc3)nc3ccccc23)CC1 753819 KBSNAMBDMHEKOW-UHFFFAOYSA-N 383.293 3.811 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)N2CCN(Cc3ccc(OC)c(F)c3)CC2)cc1 22788333 BEWNVRZFNFITNC-KRWDZBQOSA-N 399.510 3.542 0 40 GHAB CCCOc1ccccc1OCC(=O)Nc1cc(Cl)ccc1-n1cncn1 23078745 LFDRGNQFHPKFFL-UHFFFAOYSA-N 386.839 3.727 0 40 GHAB Cc1sc2ncnc(NC[C@H](c3ccc(F)cc3)N3CCOCC3)c2c1C 23381274 HMJPLHFOCBVOPJ-QGZVFWFLSA-N 386.496 3.933 0 40 GHAB CCCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1OC 23408668 FQVHKBLJCJRCPD-INIZCTEOSA-N 376.522 3.968 0 40 GHAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc(N3CCCCC3)nc2)cc1 24045420 HVMXWLXHTJDRHO-UHFFFAOYSA-N 384.505 3.761 0 40 GHAB COC(=O)[C@H](C)N(C#N)c1nc(C)cc(Oc2ccc(Cl)cc2Cl)n1 27644261 HXMLNBKHQADIGZ-JTQLQIEISA-N 381.219 3.733 0 40 GHAB O=C(NC[C@@H]1C[C@@H]2C=C[C@@H]1C2)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 170613146 JOQVHQKFSVTBFJ-BMFZPTHFSA-N 384.863 3.549 0 40 GHAB NC(=O)[C@H]1C[C@H]2CCCC[C@H]2N1c1ncnc2scc(-c3ccccc3)c12 58161446 WDBLGKMKELIUNG-DJIMGWMZSA-N 378.501 3.981 0 40 GHAB O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)N1CCOCC1 1406392 UFUMTODVNFEMMK-RMKNXTFCSA-N 375.827 3.930 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)C1 105369623 SBBCQMGYCCNVDO-UGLIKIROSA-N 389.536 3.720 0 40 GHAB biogenic COc1ccc(/C=C/c2nnc(NC(=O)COc3ccc(F)cc3)s2)cc1 9358551 DCTQPQFVJUQUSO-NYYWCZLTSA-N 385.420 3.874 0 40 GHAB CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)c4ccccc4)cc3C2=O)cc1 1517375 ZIHBWIIJOKIVCN-UHFFFAOYSA-N 384.391 3.677 0 40 GHAB C[C@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1cccc2ccccc12 57478057 ODTYXTCQVQNGSF-ZDUSSCGKSA-N 393.512 3.778 0 40 GHAB O=C(COC(=O)c1c(F)cccc1F)Nc1ncc(C(F)(F)F)cc1Cl 3269975 OOHMMSJAGJYFFF-UHFFFAOYSA-N 394.683 3.828 0 40 GHAB CCOC(=O)[C@H](CNC(=O)c1c(C)oc2ccc(OC)cc12)Cc1ccccc1 58022981 DJTSZUJURCQMJF-KRWDZBQOSA-N 395.455 3.902 0 40 GHAB Cc1ccn2cc(C(=O)Nc3nc(CN4C[C@@H](C)C[C@H](C)C4)cs3)nc2c1 58139080 SKDVIURDVWHCDP-GJZGRUSLSA-N 383.521 3.829 0 40 GHAB O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)[C@H]1CC=CC[C@H]1C(=O)O 58167785 JIZMXTWBCYYWJQ-SOUVJXGZSA-N 379.840 3.503 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CSc1ccc(F)c(F)c1 24395691 FGTJEUGDSDRJLG-UHFFFAOYSA-N 387.455 3.960 0 40 GHAB CN1CCN(Cc2ccncc2)C[C@@H]1c1ncn2cc(-c3ccccc3)ccc12 306131381 KCVZXRSNABQBSS-HSZRJFAPSA-N 383.499 3.885 0 40 GHAB Cc1ccc2c(=O)cc(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)oc2c1 27989518 CRXAVCSKPNVETI-OAHLLOKOSA-N 383.469 3.984 0 40 GHAB Cc1noc([C@H](C)NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)n1 58421728 GLTZAOHIUMRXFG-IFXJQAMLSA-N 375.432 3.563 0 40 GHAB O=C(/C=C/c1ccccc1Cl)Nc1nc2n(n1)[C@@H](c1ccccc1)CC(=O)N2 2329969 NSDLPPYSIVRUEK-SIFUEBAJSA-N 393.834 3.515 0 40 GHAB O=S(=O)(NCc1ccccc1Cn1cccn1)c1cc(Cl)cc(Cl)c1 10959168 JDDUBOPBVGRDPT-UHFFFAOYSA-N 396.299 3.717 0 40 GHAB CC(C)n1ncc2cc(C(=O)NCC3(N4CCCCC4)CCCCC3)cnc21 12738901 HGEIWIUOCJLJHD-UHFFFAOYSA-N 383.540 3.931 0 40 GHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccc(OC)cc1 2439304 DVGQOFKSDPLWJO-RHSMWYFYSA-N 388.537 3.761 0 40 GHAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1cccc(C(F)(F)F)c1 12761611 FYNGDSPNSDFGOO-UHFFFAOYSA-N 383.351 3.612 0 40 GHAB COc1cccc([C@H](NC(=O)Cc2ccc3c(c2)CCCC3)c2nccn2C)c1 29093580 HONOTYLHFGUJOF-QHCPKHFHSA-N 389.499 3.756 0 40 GHAB COCCn1cc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c2ccccc21 48302668 CWOOOUZUVPEBBS-OAQYLSRUSA-N 399.922 3.974 0 40 GHAB NC(=O)c1ccsc1NC(=O)CSc1nc(-c2ccccc2)cs1 3405613 ZLPMQFRECFUBOA-UHFFFAOYSA-N 375.500 3.701 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CN3CCC[C@@H]3c3ccc(C)cc3)ccc21 13009024 HODJNHBATSMRFG-OAQYLSRUSA-N 377.488 3.680 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 13019841 FLWIYOHIDOYRNS-HNNXBMFYSA-N 383.883 3.861 0 40 GHAB CSc1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 13002319 XDCKXKYGIIACKX-UHFFFAOYSA-N 385.514 3.767 0 40 GHAB C[C@@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NC1CCCC1 17275506 LDBFZSUOOONABY-CYBMUJFWSA-N 383.517 3.666 0 40 GHAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCCCCC3)c3ccccc32)s1 8569935 RYSGWZVGPOZSEY-QFIPXVFZSA-N 398.528 3.697 0 40 GHAB Cc1cc(C)c(NC(=O)CSc2nnc3nc(C)cc(C)n23)c(Cl)c1 6325971 BBLVXGOPZNETRY-UHFFFAOYSA-N 375.885 3.742 0 40 GHAB CN(Cc1nnc2n1CCCCC2)C(=O)c1ccc(C2SCCS2)cc1 14084089 SZOMACSYFICVLG-UHFFFAOYSA-N 388.562 3.755 0 40 GHAB COCc1nnc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 4503007 MJQHBEXILWFVNC-UHFFFAOYSA-N 378.306 3.863 0 40 GHAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)c1 5490246 AECWGIKCLPBJTR-NRFANRHFSA-N 398.418 3.942 0 40 GHAB O=C(Nc1ccc(OC(F)F)cc1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 14302628 MGSGUSUITQNXBO-UHFFFAOYSA-N 387.342 3.702 0 40 GHAB Cc1noc(C)c1COC(=O)[C@@H](NC(=O)Cc1cccc2ccccc12)C(C)C 6778989 WPASTALSSVOMQC-QFIPXVFZSA-N 394.471 3.871 0 40 GHAB CCc1ccccc1NC(=O)[C@H]1Sc2nnc(CC)n2N[C@H]1c1ccccc1 6811832 XQZMPXKNBNHZFT-OALUTQOASA-N 393.516 3.801 0 40 GHAB COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(F)c(C)c1 5927695 WXISLKUKKUYPNZ-UHFFFAOYSA-N 376.409 3.511 0 40 GHAB O=c1c2sccc2n(Cc2cc(F)cc(F)c2)c(=O)n1-c1cccc(F)c1 67258288 GYHZWIGDWJPVCP-UHFFFAOYSA-N 388.370 3.680 0 40 GHAB COc1ccc(-c2nc(NC(=O)CCCNC(=O)c3ccco3)sc2C)cc1 19167910 HAFWCUUFZUUVPH-UHFFFAOYSA-N 399.472 3.869 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sccc1-c1ccccc1 8987943 WRDFSJGJSDTICO-UHFFFAOYSA-N 375.453 3.924 0 40 GHAB O=C(COC(=O)c1ccccc1Oc1ccccc1)NC(=O)c1cccs1 7129091 PUZSMHVIBWVTGF-UHFFFAOYSA-N 381.409 3.654 0 40 GHAB COc1cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c(OC)cc1Cl 7312891 OVPMWISHVMQVSM-UHFFFAOYSA-N 388.851 3.732 0 40 GHAB COc1ccc([C@H](CNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)N2CCCCC2)cc1 110516170 MNUGDEHINUOVDO-YRLHULLVSA-N 387.593 3.875 0 40 GHAB O=C1CCCN1c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 7726740 FNTKJIYYAZARLZ-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 9115951 CPONVLITZGNCSG-FQEVSTJZSA-N 395.459 3.780 0 40 GHAB COc1ccc(Cn2nnnc2SCCOc2ccc(Cl)cc2)cc1 16368809 UFJXIZTXUXSZQM-UHFFFAOYSA-N 376.869 3.555 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(F)cc2)c(OC)c1 16382329 VMGNISGCRKABAB-FQEVSTJZSA-N 386.467 3.638 0 40 GHAB COc1ccc2nc(SCC(=O)N(Cc3ccco3)CC(F)(F)F)[nH]c2c1 7901439 KGCQCYJGUYTHPX-UHFFFAOYSA-N 399.394 3.848 0 40 GHAB COc1ccc(CN2C(=O)/C(=C\Nc3ccncc3)c3ccccc3C2=O)cc1 16757134 BSIPCSIFXUWNTA-STZFKDTASA-N 385.423 3.726 0 40 GHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N[C@@H]1CCCc2ccccc21 8279978 VIYGDQPPGIOTCP-OAQYLSRUSA-N 375.472 3.597 0 40 GHAB Cc1ccccc1-c1cnc(NC(=O)c2cc(S(C)(=O)=O)ccc2F)s1 97011768 ZLDXRQBDZAHVPW-UHFFFAOYSA-N 390.461 3.913 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)N1CCC(c2nc3ccccc3o2)CC1 9577450 GGSKHQISNVHVFM-UHFFFAOYSA-N 392.455 3.988 0 40 GHAB O=C1S/C(=C/c2ccccc2)C(=O)N1CCNC(=O)C1(c2ccccc2)CC1 96585714 ZSGQKYIXQIHOJJ-OBGWFSINSA-N 392.480 3.571 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc4c(n3)CCCC4)n2)o1 89962727 HSRKWZYFBABHQP-UHFFFAOYSA-N 396.472 3.565 0 40 GHAB O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 408622900 QEFGQHQHFPIZDA-UHFFFAOYSA-N 383.256 3.891 0 40 GHAB CC(C)c1c(C(=O)Nc2ccc3nncn3c2)cnn1-c1cccc(Cl)c1 95458295 LOJJALNCIIMDEM-UHFFFAOYSA-N 380.839 3.944 0 40 GHAB FC(F)[C@@H](CCc1ccccc1)NC[C@H](c1cccs1)N1CCOCC1 95467435 AJWRVBOUCYTQQD-QZTJIDSGSA-N 380.504 3.978 0 40 GHAB CCOC(=O)[C@](C)(Cc1ccccc1)NC(=O)Cc1coc(-c2cccs2)n1 78877730 LCLYFJDGBFZJDZ-NRFANRHFSA-N 398.484 3.626 0 40 GHAB CC(=O)N[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CCCC1 9953853 YYXDFBJAPCGFIS-MRXNPFEDSA-N 379.432 3.722 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CCCCCC1 408588689 XUGSIFNGZKFEEV-UHFFFAOYSA-N 399.516 3.846 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)CCc1ccccc1F 21581827 GFSUGFRFUVDJAJ-UHFFFAOYSA-N 379.815 3.911 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577203 YVGCYTNQJOBTJL-UHFFFAOYSA-N 387.480 3.951 0 40 GHAB COCCOC(=O)c1c(C)oc2ccc(OCc3ccc(C(=O)OC)cc3)cc12 4009149 KTWUMVHLEULTFA-UHFFFAOYSA-N 398.411 3.910 0 40 GHAB biogenic CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2noc3c2COCC3)cc1 527604636 RFUZPXAHLIMJHT-JOCHJYFZSA-N 391.471 3.956 0 40 GHAB Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CCN(C(=O)c3coc(C)n3)C2)n1 72384497 XBYKGYBSFVDTJC-CQSZACIVSA-N 382.395 3.643 0 40 GHAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(CC(=O)N(C)C)C2)n1 72356134 RCKUUNRFVIFISS-IBGZPJMESA-N 385.939 3.902 0 40 GHAB Cc1ccccc1C(=O)Nc1nnc(SCC(=O)Nc2ccccc2)s1 56934211 DCQPQYVWOKUZKG-UHFFFAOYSA-N 384.486 3.830 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 38851861 MDULKIRJYZNTNK-SFHVURJKSA-N 384.451 3.771 0 40 GHAB COc1cccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 219306666 OGXUOJDEILRRJL-AUUYWEPGSA-N 385.460 3.890 0 40 GHAB Cc1ccc(-c2noc(CNC(=O)C3CCN(c4ccc(C)cc4)CC3)n2)cc1 219865967 VDVRWKPRPVQAGL-UHFFFAOYSA-N 390.487 3.886 0 40 GHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCC 224611798 MJFNZZJMLPDBMW-QFIPXVFZSA-N 396.531 3.961 0 40 GHAB COC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225045568 UJYPYECIHGILRG-UHFFFAOYSA-N 389.860 3.862 0 40 GHAB COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223404377 WDGUXRMZGOFCCI-HXUWFJFHSA-N 388.895 3.583 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 223636207 BTZFHMWBMXDNJD-LJQANCHMSA-N 382.504 3.544 0 40 GHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 224079042 RQYWMYDYFFNOPR-FQEVSTJZSA-N 396.531 3.750 0 40 GHAB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1cccc(C(F)(F)F)c1 40478636 UZJBZQAIJHRTIF-UHFFFAOYSA-N 375.350 3.616 0 40 GHAB CCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2OC)c(O)c2sccc21 49409511 FDOGWGQWJAFCHB-UHFFFAOYSA-N 378.837 3.703 0 40 GHAB O=C(CSc1ccc(F)cc1)N1CCC(c2nnc(-c3ccco3)o2)CC1 44098917 VVVUKZRLKULRQV-UHFFFAOYSA-N 387.436 3.967 0 40 GHAB CCSc1ccccc1NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220148358 NMUNCJVUOGQXNR-HNNXBMFYSA-N 392.546 3.900 0 40 GHAB O=C(O)c1coc(CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)n1 576473032 MXSBOERRFHSJOF-UHFFFAOYSA-N 385.247 3.861 0 40 GHAB O=C(c1ccc2nc(O)n(CC(F)(F)F)c2c1)N1CCc2ccc(F)cc2C1 612688219 NSZPXMFKGCXTMZ-UHFFFAOYSA-N 393.340 3.642 0 40 GHAB CCCN(C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[C@@H]1CCc2ccccc21 642210974 PDZVXPQAMGIIBX-OAQYLSRUSA-N 391.446 3.911 0 40 GHAB COc1ccccc1N1CCN(Cc2cc(=O)oc3cc(C)cc(C)c23)CC1 54147581 JINHJQCLFRAFQM-UHFFFAOYSA-N 378.472 3.741 0 40 GHAB biogenic C[C@@H](C(=O)N1CCC[C@H]1COc1ccc(F)cc1)n1ccc(C(F)(F)F)n1 1179319090 JCWYWCJUBZOVIJ-JSGCOSHPSA-N 385.361 3.672 0 40 GHAB O=C(/C=C/c1ccco1)N1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 585292310 KOGOKUCQUQJEEM-LLYBFZRZSA-N 395.488 3.764 0 40 GHAB COc1cccc(CNC(=O)c2c(F)cccc2NCCN2CCCCC2)c1 66089363 YTEFETPHPTVWSO-UHFFFAOYSA-N 385.483 3.662 0 40 GHAB O=C(C1CC1)N1CCC(Nc2ncc(-c3ccco3)c(-c3ccco3)n2)CC1 72396880 DYVGGIMGXQOUKC-UHFFFAOYSA-N 378.432 3.810 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)cc1F 1615159507 VRTHGEUKWARACB-HSZRJFAPSA-N 396.462 3.562 0 40 GHAB CCC(=O)N1CC[C@H]2CC(=O)Nc3cc(-c4cccnc4)ccc3OCC[C@H]2C1 1534646946 XRPAOLQOCIMQBW-HKUYNNGSSA-N 393.487 3.734 0 40 GHAB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)cc1 7071130 YOTZUJOUDOZLPD-KWWJGWKXSA-N 375.446 3.629 0 40 GHAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1F 5702111 MNYDKPFHDUKQHD-UHFFFAOYSA-N 396.871 3.824 0 40 GHAB CCCN1C(=S)N[C@H](c2ccc(F)cc2)C(C(=O)Nc2cc(C)on2)=C1C 11202753 VJWVJHKKMQAEIA-QGZVFWFLSA-N 388.468 3.676 0 40 GHAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)cc1 12161487 HEUGLDBSXOLDLJ-IBGZPJMESA-N 378.476 3.656 0 40 GHAB Cc1cc(C)c2c(CC(=O)N(CCN(C)C)Cc3cccnc3)c(C)[nH]c2c1 12222965 IHQHOZVWIIKJNF-UHFFFAOYSA-N 378.520 3.621 0 40 GHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)c1 12327343 VBZSYSJIJVEURO-CYBMUJFWSA-N 382.489 3.665 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1CCC[C@H](C)C1 12526447 OSZFJDHYDRESBZ-AWEZNQCLSA-N 390.480 3.807 0 40 GHAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)cc1F 12903979 SBRCDTQPXVDMBK-CLUXPMKYSA-N 382.435 3.617 0 40 GHAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)noc2n1 19521990 ZOZGBDDKRXVPNY-JTQLQIEISA-N 393.369 3.547 0 40 GHAB CCOC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCN(CC2CC2)CC1 19530189 YFQABOLDNNXYNL-IBGZPJMESA-N 388.483 3.764 0 40 GHAB Cc1ncsc1C(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 19561975 GDZFLTFNCVYYCN-UHFFFAOYSA-N 385.533 3.729 0 40 GHAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)C(F)F)nc(C2CC2)n1 19592084 PORYOGBZMZKNPU-HNNXBMFYSA-N 385.418 3.542 0 40 GHAB CCn1ccnc1CN1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 19713432 AQEQTBULTCHAAS-NFBKMPQASA-N 398.526 3.978 0 40 GHAB CC1CCN(c2ncc(CN(Cc3ccccc3)C3CCN(C)CC3)cn2)CC1 19715734 MEROWXKXGMPYNS-UHFFFAOYSA-N 393.579 3.809 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)o2)cc1C 19928024 AHVMMSQYIZOQTK-UXLLHSPISA-N 387.505 3.662 0 40 GHAB Cc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1C 165725993 RDZCSELZJKQOPH-LRGYGIHKSA-N 386.451 3.867 0 40 GHAB O=C1NC[C@]2(CCCCCOc3ccccc31)CCCN(C(=O)CC1CC1)C2 643559527 OJYTWNFNCBPMFT-QHCPKHFHSA-N 384.520 3.778 0 40 GHAB CC(=O)c1c(C)nn(CC(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)c1C 12188132 FORYPBCQZRVECO-FQEVSTJZSA-N 390.487 3.657 0 40 GHAB Cc1ccc2c(c1)[C@@H](NC(=O)CCc1cccc(C)n1)CC1(CCOCC1)O2 12337445 VUMODGHIZCYSOY-FQEVSTJZSA-N 380.488 3.820 0 40 GHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(CCc2ccccc2)C1 19591662 SCRWGRORYAVGRO-AREMUKBSSA-N 399.538 3.972 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCN(CC2=CCCOC2)C1 19591649 NBTTXKMKOLPFQE-VWLOTQADSA-N 390.527 3.681 0 40 GHAB O=C1CCCc2cc(C(=O)N(CCCO)Cc3cccc(Cl)c3)ccc2N1 677460584 TZJDDSTWYAPYAA-UHFFFAOYSA-N 386.879 3.640 0 40 GHAB O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6651846 UOCVCGFUFNRYLR-UHFFFAOYSA-N 396.871 3.519 0 40 GHAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 7726617 PYCYWRFHKKZHTC-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB COc1ccccc1[C@@H]1[C@H](C(=O)N(C)OC)CCC(=O)N1c1ccc(C)cc1 36037336 LJJHVFUZZVXSLD-WIYYLYMNSA-N 382.460 3.508 0 40 GHAB Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 9069224 MHRMGYRLCZWWDS-UHFFFAOYSA-N 387.430 3.562 0 40 GHAB CSc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3C)n2)cc1 17144335 PNUNLZZTPJYGDM-UHFFFAOYSA-N 396.497 3.998 0 40 GHAB CN1CCN([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)CC1 22579394 LFYRKDLSKCQEHQ-JOCHJYFZSA-N 397.538 3.842 0 40 GHAB O=C(c1cncc(Br)c1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775970771 QSODWMGOXZMCRA-UHFFFAOYSA-N 397.276 3.768 0 40 GHAB COc1cccc([C@@H](CNC(=O)c2cccc3ccccc23)N2CCOCC2)c1 23106053 CLFWOZIDSACBGB-HSZRJFAPSA-N 390.483 3.652 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)c1nnn(Cc2ccccc2)c1-c1ccncc1 206642695 DFIHUFLDAVTCMS-QFBILLFUSA-N 375.476 3.697 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220723367 BLRXJIKJICQDKZ-INIZCTEOSA-N 376.460 3.833 0 40 GHAB Brc1cnc2nc3c(cc2c1)CN(CCOc1ccccc1)CC3 2298099649 DPBSQZNQWBMTRI-UHFFFAOYSA-N 384.277 3.829 0 40 GHAB O=C(NCc1ccc(O)cc1)c1nc(-c2cccs2)n(-c2ccccc2)n1 40051082 MMJYHFSQTYGKQY-UHFFFAOYSA-N 376.441 3.631 0 40 GHAB CCCCCn1c(=N)n(C[C@@H](O)COc2ccc(OC)cc2)c2ccccc21 20266888 WAGHQEIGIYWMMH-QGZVFWFLSA-N 383.492 3.561 0 40 GHAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2ccccc2OC)cc1 20738549 RWCNZTMAGZYWRH-QGZVFWFLSA-N 392.415 3.739 0 40 GHAB COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(F)c2)cc1 20718582 NJWQMSJWTWCLJC-IBGZPJMESA-N 394.406 3.515 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)c1C 7976418 KJYBNVCPXFWLMI-LBPRGKRZSA-N 377.824 3.890 0 40 GHAB COc1ccc(C)cc1N(CC(=O)Nc1cccc2ccccc12)S(C)(=O)=O 821317 YSDNSGXYCGYSLO-UHFFFAOYSA-N 398.484 3.562 0 40 GHAB O=C(c1ccccc1SCc1ccccc1)N1CCN(c2ncccn2)CC1 1068698 JSAGLGMFQQALFP-UHFFFAOYSA-N 390.512 3.731 0 40 GHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N(Cc1ccc(F)cc1)C1CC1)C2=O 32744775 OYVCILBJMQIRPT-UHFFFAOYSA-N 394.446 3.702 0 40 GHAB O=C(NC[C@H](O)c1ccc(Cl)cc1)c1cnn(Cc2ccccc2Cl)c1 32760852 QJFCCKWWZCRYFP-SFHVURJKSA-N 390.270 3.702 0 40 GHAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1NC(=O)c1ccco1 2650708 IBHYYUQSRDPPEV-UHFFFAOYSA-N 378.384 3.636 0 40 GHAB CCOc1ccccc1NC(=S)N1CCC(NC(=O)c2cccc(C)c2)CC1 4857653 OWJRKMRILMGFQB-UHFFFAOYSA-N 397.544 3.985 0 40 GHAB COc1cc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc(OC)c1 6999919 HMGZEMUZSVBKDE-UHFFFAOYSA-N 376.840 3.506 0 40 GHAB CC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 7077099 IZXRYYHXRRBNMH-IRXDYDNUSA-N 388.533 3.573 0 40 GHAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CCc1nc2ccccc2s1 2623839 HJDSTUMDMQNQMV-ZDUSSCGKSA-N 384.457 3.808 0 40 GHAB COc1cc2c(cc1C[C@H]1SC(=O)N(CCCc3ccccc3)C1=O)OCO2 8114085 FLWULPCHXDXZQK-LJQANCHMSA-N 399.468 3.663 0 40 GHAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cc(C)cc(C)c1 8433743 OHHHGJVNWGGXSE-UHFFFAOYSA-N 382.460 3.766 0 40 GHAB Cc1cc(N2CCCCC2)nc(N2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)n1 100456722 LWCCEVPIEREIJB-WOJBJXKFSA-N 396.510 3.933 0 40 GHAB O=C(NCCCC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1cccs1 21915583 AOXAWFPMPLTFDY-UHFFFAOYSA-N 397.500 3.806 0 40 GHAB CCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 55648954 VTSAIFKBSWPFCJ-UHFFFAOYSA-N 376.503 3.508 0 40 GHAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccccc3)C2)cc1OC 890360 RIFZUSGVPPRSQG-GOSISDBHSA-N 396.443 3.636 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@H]1c1ccccn1 955237 IIQAOBCZXYJGDC-KRWDZBQOSA-N 395.850 3.846 0 40 GHAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(C(=O)OC)cc1 953668 KHQVGGOKFNBEJZ-UHFFFAOYSA-N 380.400 3.950 0 40 GHAB O=C(NCCCn1cnc2ccccc21)c1ccc(NC(=O)c2ccco2)cc1 8129793 XTRBEEOYCWUDTQ-UHFFFAOYSA-N 388.427 3.702 0 40 GHAB COC(=O)[C@](NC(=O)Nc1ccc(C)cc1)(Oc1ccccc1)C(F)(F)F 3029146 CQWSLQYHOAZFJP-KRWDZBQOSA-N 382.338 3.627 0 40 GHAB C[C@H](Nc1ccc(N2CCCCCC2)cc1)C(=O)NCc1ccc2c(c1)OCO2 8135897 DSMAYHVSSCCJDQ-KRWDZBQOSA-N 395.503 3.913 0 40 GHAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1)c1ccc(F)cc1 25051090 DESJVJJUNSYSQK-OAQYLSRUSA-N 393.462 3.707 0 40 GHAB O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 43740442 YMBYOHNZKARBBF-GFCCVEGCSA-N 398.875 3.850 0 40 GHAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1cc(C)cc(C)c1 12580731 ACUDBWAFISIUJN-GOSISDBHSA-N 386.517 3.802 0 40 GHAB CN(C)c1ccc(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 3272029 ANJFTHDCHUMLGE-UHFFFAOYSA-N 384.451 3.885 0 40 GHAB COc1ccc(OC)c(C(=O)COC(=O)c2ccccc2Br)c1 3277387 TWVWHLVUHKSKCB-UHFFFAOYSA-N 379.206 3.506 0 40 GHAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)Cc1ccc(Cl)cc1 10119908 KIBZTUGZVCEKQB-UHFFFAOYSA-N 399.863 3.696 0 40 GHAB COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(N3CCCC3)cc2)C(C)C)cc1 10429469 FYZFSSTUTQYUSJ-OAQYLSRUSA-N 395.503 3.689 0 40 GHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(Br)s2)cc1 10675399 BOZRPXQFNILEJK-JTQLQIEISA-N 390.324 3.949 0 40 GHAB CC(C)(C)C(=O)NCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 25246154 XZBHMCBVUSZHSZ-UHFFFAOYSA-N 385.430 3.797 0 40 GHAB Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 28239125 WANMUAVLTOQLDA-UHFFFAOYSA-N 397.788 3.747 0 40 GHAB CN(CCOc1ccc(F)cc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 10280939 GUJKMNJCHSTRHY-UHFFFAOYSA-N 397.425 3.790 0 40 GHAB O=C(Cn1nnc(-c2ccccc2)n1)OCc1cccc(Oc2ccccc2)c1 3321444 HCJMYQKUMUCWGY-UHFFFAOYSA-N 386.411 3.876 0 40 GHAB Cc1nc(NCCCN(C)C)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 2237787 KAQGPAPEVIFYSH-UHFFFAOYSA-N 385.537 3.763 0 40 GHAB COc1ccc(NC(=O)c2ccc(COC(=O)Cc3c(C)noc3C)cc2)cc1 11008625 RKNXZCKODRLUFN-UHFFFAOYSA-N 394.427 3.838 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CN[C@H](C)c2ccc(Br)cc2)c1 12891731 WTCIEMTZRPEUFQ-GFCCVEGCSA-N 390.281 3.697 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(Nc3ccccc3F)s2)no1 12806907 SDHFKMSRJZHBKU-SECBINFHSA-N 379.442 3.837 0 40 GHAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc(N2CCOCC2)nc1 12930329 BTVOKPCHQIAHPA-FQEVSTJZSA-N 397.475 3.638 0 40 GHAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(C)cc2Br)Oc2ccccc21 12986043 BKBZIXHPFWVIBY-KRWDZBQOSA-N 389.249 3.510 0 40 GHAB CC(=O)c1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12922798 KSYKLCYRHJPJEP-UHFFFAOYSA-N 382.504 3.941 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)CCCc3nc4ccccc4s3)cc2NC1=O 13002744 JDQUFAVZBCUFRR-GFCCVEGCSA-N 381.457 3.977 0 40 GHAB COc1ccc(CCNC(=O)c2oc3c(c2C)[C@@H](O)CC(C)(C)C3)cc1OC 4088889 CPFUFDGQRVCIEK-HNNXBMFYSA-N 387.476 3.584 0 40 GHAB biogenic CCNC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2)c(C)c1 64394214 CEEVECGWHSDPTB-UHFFFAOYSA-N 382.851 3.836 0 40 GHAB O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 13655016 MCNSPUOVZMVGAB-SFHVURJKSA-N 381.520 3.788 0 40 GHAB Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccc2c(c1)OCCCO2 64987208 YKSWYHVSJJOVOT-UHFFFAOYSA-N 381.457 3.618 0 40 GHAB Cc1cc(C(=O)N2CCC(C)CC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C 14189604 YVJULMKXUKBUIK-UHFFFAOYSA-N 392.565 3.596 0 40 GHAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccncc1 8725662 RGFONTXLKYAFJX-CQSZACIVSA-N 399.447 3.513 0 40 GHAB C[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 4548816 YMNBJUUDVMNEGN-CJAUYULYSA-N 385.463 3.983 0 40 GHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1 65621624 BIMPPBRMARZGCD-ZRPUOBAXSA-N 380.488 3.936 0 40 GHAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1N=CC[C@]1(O)C(F)(F)F 5445512 GLWBTEZTYYNTDS-IBGZPJMESA-N 385.345 3.984 0 40 GHAB Cc1[nH]c2ccccc2c1/C=C1\SC(=N)N(c2nonc2-n2cccc2)C1=O 4654003 QHENJWIFFZIUEG-BOKMQSFHSA-N 390.428 3.706 0 40 GHAB Cc1cnc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)s1 14662453 PRBQYNJYYVXEPY-UHFFFAOYSA-N 385.420 3.860 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1c(F)cccc1Cl 5872030 VPMSTSIWHDTLOR-UHFFFAOYSA-N 381.787 3.640 0 40 GHAB CC[C@H](C)n1c(SCC(=O)N(C)Cc2ccccc2)nc2cc(C)[nH]c2c1=O 67238641 PGOUIWNUYURWTF-HNNXBMFYSA-N 398.532 3.755 0 40 GHAB COc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1OC 8982051 DPQMDJOUSMAVIQ-MRXNPFEDSA-N 382.460 3.621 0 40 GHAB O=S(=O)(NCc1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1Cl 8986998 DEWMBNUIWBMDGU-UHFFFAOYSA-N 382.272 3.658 0 40 GHAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)N[C@H](C)CCc1ccccc1 7057945 VMVWTADVFMEMNE-HZPDHXFCSA-N 383.492 3.592 0 40 GHAB O=c1c2ccccc2nc(SC[C@@H]2CC2(Cl)Cl)n1C[C@H]1CCCO1 7171651 UXUBFFJJXQCDAI-NWDGAFQWSA-N 385.316 3.861 0 40 GHAB O=C(CCSc1ccccc1Cl)OCCN1C(=O)c2ccccc2C1=O 7784184 QPONHCPHICTDQT-UHFFFAOYSA-N 389.860 3.662 0 40 GHAB Cc1ccc(C(=O)NCC(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)cc1 9336798 PUYYEFOHLYUGOV-LJQANCHMSA-N 378.476 3.505 0 40 GHAB COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccc(C)nc1 84190244 TXTYSXIKQQLZHV-UHFFFAOYSA-N 381.259 3.555 0 40 GHAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 9637746 OSZSLPSSWCTTKV-MRXNPFEDSA-N 381.476 3.935 0 40 GHAB C1=C(c2cccnc2)Nc2nnnn2[C@H]1c1ccc(OCc2ccccc2)cc1 9683160 PMXJGQKBHGLIJL-OAQYLSRUSA-N 382.427 3.703 0 40 GHAB CSc1cccc(NC(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)c1 72306898 VMMVARQLCZKSMD-UHFFFAOYSA-N 389.420 3.997 0 40 GHAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccnc(Br)c1 84404915 JQQFKVWUKQILIO-UHFFFAOYSA-N 391.656 3.995 0 40 GHAB CC[C@H](O)CN1CCN(c2ncnc3scc(-c4ccc(C)c(C)c4)c23)CC1 84733553 ZIOAJVOPTOWJAH-SFHVURJKSA-N 396.560 3.868 0 40 GHAB Cc1ccncc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br 95453621 ZVMORSMGGZQHHP-UHFFFAOYSA-N 379.638 3.746 0 40 GHAB CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)O)cc1 95424904 CYQHLXKIAIQEGB-LZJOCLMNSA-N 397.471 3.554 0 40 GHAB C[C@@H](c1cccnc1)N1CCN(C(=O)c2ccc(F)cc2Br)CC1 79353564 JBRFCDHMBBEXQX-ZDUSSCGKSA-N 392.272 3.502 0 40 GHAB COc1ccc(NC(=O)CCc2nc(-c3ccc4cc[nH]c4c3)no2)c(OC)c1 79488861 NBLAIKKOVVQRQK-UHFFFAOYSA-N 392.415 3.806 0 40 GHAB Cc1cc2c(cc1CNC(=O)Cn1c(C)c(C=O)c3ccccc31)OCCCO2 64987187 LOPRCAYCSGXTTG-UHFFFAOYSA-N 392.455 3.548 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)c1 408688190 WKKYFEOCNABBNN-PKOBYXMFSA-N 390.439 3.793 0 40 GHAB O=C1CCCc2cc(S(=O)(=O)N3CCCC[C@H]3Cc3ccccc3)ccc2N1 508151494 PTMGAOXOZVDLOF-IBGZPJMESA-N 398.528 3.747 0 40 GHAB O=C(CN1CCc2ccccc2C1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 35380164 CUWXNCMFCKSONL-LJQANCHMSA-N 375.428 3.609 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)c1ccccc1 217429254 QJYZNUCMVCFUMF-UONOGXRCSA-N 376.478 3.635 0 40 GHAB COc1ccc(-c2csc(-c3cc(NC(=O)C(C)C)n(C)n3)n2)cc1OC 35683125 RAFAZBRMFFISED-UHFFFAOYSA-N 386.477 3.822 0 40 GHAB Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(CN3CCOCC3)c1)CC(C)(C)O2 219246593 JIZJAQPEAOJWME-OAQYLSRUSA-N 394.515 3.859 0 40 GHAB CC(C)Cn1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c2ccccc2c1=O 79492089 NSHAFZZYKRDTFY-JOCHJYFZSA-N 390.483 3.871 0 40 GHAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1Cl 224659186 JBPLMEJTVJLWJJ-UHFFFAOYSA-N 397.880 3.659 0 40 GHAB COc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223093753 KQVMKAUJADVDMF-SFHVURJKSA-N 396.531 3.878 0 40 GHAB Cc1ccnc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1 40086546 DWPHYGFUHMMAAM-OAHLLOKOSA-N 378.259 3.940 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)c1C 225729934 GKZUZUIVAXKDKV-HZPDHXFCSA-N 391.581 3.826 0 40 GHAB COc1ccc(-c2ncc(C(=O)Nc3cccc(NC(C)=O)c3)c(C)n2)cc1 222577018 QRGGWRPQTUVRNW-UHFFFAOYSA-N 376.416 3.671 0 40 GHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCCOC1CCCC1 224405809 JBJAONAYRIYRSA-PGMHBOJBSA-N 396.487 3.824 0 40 GHAB CC[C@@H](C)NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225986485 IMUBBEFSONTRSA-CQSZACIVSA-N 394.924 3.622 0 40 GHAB CCc1cc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1OC 223686892 ZVDGECGBLCJGQQ-UHFFFAOYSA-N 390.505 3.587 0 40 GHAB Cc1cc(N2CCCCC2)nc(NC(=S)NCc2ccccc2Cl)n1 225938193 ISIJOJJKLIXCAR-UHFFFAOYSA-N 375.929 3.915 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 225009329 RCUDAIZNDJNSHJ-IAGOWNOFSA-N 386.467 3.537 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C 224516671 APKSNFCZSJPMST-OAQYLSRUSA-N 396.531 3.953 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl 222983483 AIRXAZZDAQULCG-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB C[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 222717458 UWLIPSNJFACVHB-INIZCTEOSA-N 398.478 3.686 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl 225440826 PASSFTWTYRTYNX-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(C)cc1 224051492 OWWPTOPIVTWMAJ-IBGZPJMESA-N 398.572 3.824 0 40 GHAB COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(-n2cccc2)c1 226245788 KLCNCCZUZDNGIQ-UHFFFAOYSA-N 375.472 3.586 0 40 GHAB COC(=O)CC1CCN(C(=O)c2sc(-c3cccc(OC)c3)nc2C)CC1 96117916 FAUXURGVVNOMOH-UHFFFAOYSA-N 388.489 3.542 0 40 GHAB CN1CCN(c2ccc(NC(=O)CSCc3cccc(Cl)c3)cc2)CC1 95482548 HQCHOCFOJRKSRX-UHFFFAOYSA-N 389.952 3.964 0 40 GHAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccc(OC(F)(F)F)cc1 238957801 YDJMLOHYTHPYAX-UHFFFAOYSA-N 394.397 3.585 0 40 GHAB CCOC[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242688599 VUMLLWYHCNZSSR-VAMGGRTRSA-N 393.936 3.570 0 40 GHAB C[C@]12C[C@@H]3N[C@H]1CCCC[C@H]2N(C(=O)c1cccnc1)[C@H]3Cc1ccccc1 257321744 WDAWATVPIRPWFX-CHSSDKTLSA-N 375.516 3.828 0 40 GHAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(Cc3ccnn3C)CC2)n1 257273046 NEZIZBVJDKCNCR-UHFFFAOYSA-N 380.471 3.781 0 40 GHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)S1 260769282 LHPOKNCOWZPSLN-CDHQVMDDSA-N 375.501 3.916 0 40 GHAB O=S(=O)(c1cccc(F)c1)N1CC(Oc2cccc(Cl)c2Cl)C1 1664917832 SPYDUYOFQJNSFT-UHFFFAOYSA-N 376.236 3.584 0 40 GHAB COc1ccccc1N1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1 54220016 QFXVLUDTMZIRJE-UHFFFAOYSA-N 384.863 3.777 0 40 GHAB biogenic COc1ccc(NC(=O)N2CCC[C@]3(CCOC3)C2)cc1Oc1ccc(C)nn1 652791718 FLKQLGCQDAJGSW-NRFANRHFSA-N 398.463 3.620 0 40 GHAB Cc1cccc(C)c1NC(=O)CN1CCN(c2nc3c(C)cccc3s2)CC1 1611739861 NWMXKWGPOJUZEP-UHFFFAOYSA-N 394.544 3.982 0 40 GHAB CC1(C)Oc2c(C(=O)c3ccccc3)c(O)cc3c2[C@@H]2[C@H](O3)[C@@](C)(O)CC[C@H]21 1534685663 NYTKAZDWAQTEPR-SJWQJLCWSA-N 380.440 3.800 0 40 GHAB O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)NCc1ccc(Cl)cc1 3283075 HJLOTCCWAYRDCE-BJMVGYQFSA-N 395.789 3.814 0 40 GHAB Cc1c(-c2ccccc2)sc(NC(=O)[C@@H]2C[C@@H]2C)c1C(=O)N1CCOCC1 14389883 OBIMNTYSYHZCBX-XJKSGUPXSA-N 384.501 3.790 0 40 GHAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)c(O)n2)cc1 16806881 QHHCZTLLESEHFF-UHFFFAOYSA-N 396.472 3.804 0 40 GHAB Cc1c(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)oc2c(C)cccc12 19236742 MPSHUDMLFFDZLS-LJQANCHMSA-N 390.487 3.805 0 40 GHAB Cc1nccn1Cc1ccccc1C(=O)NCCc1nc2cc(Cl)ccc2[nH]1 19288246 IKUUZCHBMDTXHM-UHFFFAOYSA-N 393.878 3.742 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)[C@@H]2C[C@@H]2C)C1 19463044 LTZSBJXRIKQKHE-QUZZAMIASA-N 396.556 3.968 0 40 GHAB Cc1cc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c2ncccc2c1 19655089 GEKQBXSJTXERSL-UHFFFAOYSA-N 388.876 3.999 0 40 GHAB O=C(c1ccc2nsnc2c1)N1CCC(COc2ccncc2Cl)CC1 1889224985 LFYKKWMSRVXZSX-UHFFFAOYSA-N 388.880 3.671 0 40 GHAB O=S(=O)(c1cccc(-c2nnc(-c3ccccc3)o2)c1)N1CCCCCC1 837447 UCJKGCCXZGKXDI-UHFFFAOYSA-N 383.473 3.968 0 40 GHAB Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 3481479 LPVNXQAWGWPTTF-HZPDHXFCSA-N 386.517 3.914 0 40 GHAB COc1ccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)c2ccccc12 10620738 INHDFKVSGMZQGX-UHFFFAOYSA-N 383.469 3.792 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NCc1ccc(Cl)cc1 17297394 XBNZVIMOESHYBS-UHFFFAOYSA-N 397.862 3.983 0 40 GHAB CCOC(=O)N1CCN([C@H](c2ccncc2)c2c(C)[nH]c3ccccc23)CC1 20192860 BNGMVERCLCNOFB-OAQYLSRUSA-N 378.476 3.735 0 40 GHAB O=C(NC[C@H]1CCCN(c2nccs2)C1)c1cc(-c2ccc(F)cc2)c[nH]1 206833512 UIEBKFVBVBHIAM-CQSZACIVSA-N 384.480 3.924 0 40 GHAB COC(=O)c1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)cc1 49004593 XDHPVVNJEVCBOE-UHFFFAOYSA-N 390.443 3.704 0 40 GHAB Cc1ccc(CCC(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)cc1F 585408833 KIAAUAJKGOKQMD-NRFANRHFSA-N 377.463 3.975 0 40 GHAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1cc(C)ccc1C 5255071 QKPDEEWMBDTMGH-UHFFFAOYSA-N 396.418 3.744 0 40 GHAB CO[C@H]1C[C@@H]2CN(Cc3nccs3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242745 NDKDVABZYOHVSA-JSJNYSNDSA-N 382.533 3.899 0 40 GHAB C[C@H](Sc1nnnn1C(C)(C)C)C(=O)N(c1nccs1)C1CCCCC1 10421990 NBYXTZYNLQZJPX-LBPRGKRZSA-N 394.570 3.731 0 40 GHAB Cc1cccc(-c2nnc(CSc3nnc(N4CCCC4)n3C3CC3)o2)c1 11823952 CIUBZUOOODXYHS-UHFFFAOYSA-N 382.493 3.864 0 40 GHAB COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)c1 862528 QFRXPPSKKQIMTL-KRWDZBQOSA-N 387.892 3.780 0 40 GHAB O=C(N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)C(F)(F)F 889807 OPQXXGZHFQHCRK-UHFFFAOYSA-N 386.377 3.508 0 40 GHAB CC(C)CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2)C1=O 2147495 XENJKSRIIWALAV-REWPJTCUSA-N 387.483 3.509 0 40 GHAB biogenic Cc1ccccc1[C@H](OC[C@@H](O)CN1CCCC[C@H]1CCO)c1ccccc1 102306568 VESGNTBUUJOFAR-WPFOTENUSA-N 383.532 3.699 0 40 GHAB CCOc1cc2c(cc1NS(=O)(=O)c1c(F)cc(F)cc1F)O[C@H](C)C2 60442019 YCBOZQLJJYCMRB-SECBINFHSA-N 387.379 3.627 0 40 GHAB CCCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)cc1 6636263 GLLYUELREXQWFN-UHFFFAOYSA-N 392.864 3.954 0 40 GHAB Cc1ccc(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)c1 6917072 JMORMIPPMORVDN-UHFFFAOYSA-N 377.531 3.617 0 40 GHAB Cc1ccccc1NC(=O)CSc1nnc(NC(=O)c2cccs2)s1 7388296 PMWHQVFWPATPAR-UHFFFAOYSA-N 390.515 3.891 0 40 GHAB CCCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 2971976 PYFFCZVSDHRJPO-UHFFFAOYSA-N 399.516 3.779 0 40 GHAB c1ccc(-n2ncc3c2ncn2nc(CSc4nc5ccccc5o4)nc32)cc1 794136 HXECNXHNYQAFMP-UHFFFAOYSA-N 399.439 3.897 0 40 GHAB COc1ccc([C@H](CNC(=S)Nc2cc(C)ccc2C)N2CCOCC2)cc1 21194027 PQIFBAQHHVZNLD-NRFANRHFSA-N 399.560 3.672 0 40 GHAB O=C(c1cc2ccccc2o1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 22917551 XUQLOGCFQXXHLR-UHFFFAOYSA-N 375.350 3.809 0 40 GHAB Cn1cnnc1Sc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1 12520879 GAICCBIGCJBIEY-UHFFFAOYSA-N 398.872 3.560 0 40 GHAB C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12557058 JGRAXBLMPRJTSP-AWEZNQCLSA-N 376.453 3.641 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)c3cccnc23)C[C@H]1C(=O)O 42783161 VZFDILBIBFZFIF-FZMZJTMJSA-N 392.839 3.730 0 40 GHAB COCCN(Cc1cc(-c2ccco2)on1)Cc1nnc(-c2cccs2)o1 24498335 YCFGWOZVHHHJDB-UHFFFAOYSA-N 386.433 3.695 0 40 GHAB CC(C)[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NC[C@H]1CCCO1 43052068 XNGPUYNTHNTSRV-WBVHZDCISA-N 378.469 3.893 0 40 GHAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)cc1C 1320396 WOTBGMDZCXXFJS-IBGZPJMESA-N 388.261 3.787 0 40 GHAB O=C(NC1CC1)[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccccc1 24992692 UUXSBLZJRXDEHM-HXUWFJFHSA-N 383.879 3.899 0 40 GHAB COc1cc(CNC(=O)N(C)Cc2ccc(F)cc2F)ccc1OC(F)F 25079868 DMPKCBBEZSOQSG-UHFFFAOYSA-N 386.345 3.916 0 40 GHAB COc1ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1OC(F)F 43995392 RUXYFLXEEXTBBX-LBPRGKRZSA-N 385.436 3.783 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C2CC2)C1 26581587 WKRCIJVNWJAHOZ-QLFBSQMISA-N 385.537 3.660 0 40 GHAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)NCc1ccccc1 57486640 AUKGUSPFXFQGEN-UHFFFAOYSA-N 376.391 3.661 0 40 GHAB O[C@H](COc1ccccc1Cl)CN1CCN(Cc2ccc(Cl)cc2)CC1 26919781 WXMUXZMPUHSZBW-SFHVURJKSA-N 395.330 3.551 0 40 GHAB COc1ccc(CCNC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1OC 58015743 VDEJQLIRGJBSOD-UHFFFAOYSA-N 393.487 3.538 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NCc2ccc(C)c(F)c2)c1 10130559 ISFDLYNJCMXUDS-FQEVSTJZSA-N 386.467 3.605 0 40 GHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)N(C)C1CCCCC1)S(C)(=O)=O 20490884 MUQXBFYGLVSDPZ-CQSZACIVSA-N 386.945 3.594 0 40 GHAB Cc1ccc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCCC(=O)O)cc1 58196707 RUAVRSPATDTBLB-GOSISDBHSA-N 394.427 3.656 0 40 GHAB CCCCN1C[C@H](c2nc3ccccc3n2CC(=O)N(C(C)C)C(C)C)CC1=O 27792504 AFNLUHKMSZZFAZ-GOSISDBHSA-N 398.551 3.798 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 306143047 XRQFVPCEWFNEGT-LJQANCHMSA-N 398.470 3.515 0 40 GHAB C[C@@H]1CCCC[C@@H]1Nc1nnc(SCC(=O)NCc2ccccc2)s1 3337724 PTJUBCGQXGUQBK-HIFRSBDPSA-N 376.551 3.937 0 40 GHAB Cc1oc2nc(SCC(=O)NC(C)C)nc(NC(=O)c3ccccc3)c2c1C 12733999 RINRZSJVLLEHMJ-UHFFFAOYSA-N 398.488 3.709 0 40 GHAB Cc1cc(OCC(=O)N2CCN(c3nccs3)CC2)c(C(C)C)cc1Cl 10673676 VTEONTBVYYXQQU-UHFFFAOYSA-N 393.940 3.956 0 40 GHAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CC(=O)N(Cc2ccco2)C1 28437085 OWTYMWNKQGONLJ-HNNXBMFYSA-N 398.846 3.858 0 40 GHAB CC(C)NC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccco2)nc2ccccc12 12777246 WMOOQIDTEYHVQL-LBPRGKRZSA-N 384.461 3.605 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cc3ccccc3oc2=O)cc1 2425933 IKYWPHHJZJBXDR-UHFFFAOYSA-N 397.390 3.882 0 40 GHAB COCCN1CCC(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 48375460 SIOIOCYHWSZKTO-UHFFFAOYSA-N 396.409 3.806 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(C)c(O)n2)c2ccccc2)c1 11419588 NZUYIAGWPFVAQZ-QGZVFWFLSA-N 380.473 3.975 0 40 GHAB O=C(COC1CCCC1)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 48369019 HCYORHZUUWKFNE-UHFFFAOYSA-N 384.442 3.745 0 40 GHAB O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1ccc(Br)cc1 12859365 PYIUBUQIEWARMN-UHFFFAOYSA-N 386.233 3.849 0 40 GHAB CC[C@@H](Oc1ccccc1)C(=O)N(CC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 12894884 XQFSEVHOWIOQKK-GOSISDBHSA-N 399.878 3.783 0 40 GHAB CSc1ccccc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 8480719 ZXPKGPRAZUEYPS-UHFFFAOYSA-N 378.519 3.593 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1 13018114 WKWJYKFSTNWTKS-OAHLLOKOSA-N 380.469 3.993 0 40 GHAB CC(C)c1ccc([C@H](C)NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1 13040294 HUPUQPWQOLYRDP-INIZCTEOSA-N 385.483 3.697 0 40 GHAB COCCCN1CN(c2cc(Cl)cc(Cl)c2)c2nc(C)c(C)c(=O)n2C1 38830199 DVDPLWYTBKMQKN-UHFFFAOYSA-N 397.306 3.572 0 40 GHAB COC(=O)C(=Cc1ccc(OCc2ccccc2Cl)c(OC)c1)C(=O)OC 408725649 LYNOBDOAGPIPSX-UHFFFAOYSA-N 390.819 3.657 0 40 GHAB COc1cccc(/N=c2\oc3ccccc3cc2C(=O)NC[C@@H]2CCCO2)c1 13426925 MXJAWLGSASZGND-LWVPEANGSA-N 378.428 3.583 0 40 GHAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C)ccc1OCc1c(C)noc1C 49550379 LMROSHSKURBXFR-CQSZACIVSA-N 382.420 3.736 0 40 GHAB COc1ccc(-c2cc(C(=O)N3CCOCC3(C)C)nn2-c2ccccc2)cc1 64812093 DSHKZQHSVKMJHW-UHFFFAOYSA-N 391.471 3.799 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCC[C@@H](C)C1 13805140 GBZFOGVNOLRSEP-CHWSQXEVSA-N 375.444 3.543 0 40 GHAB CCc1nnc2sc(-c3ccc(CNC(=O)c4ccc(Cl)cc4)cc3)nn12 13954841 NDEUDLLXFTYZIP-UHFFFAOYSA-N 397.891 3.999 0 40 GHAB COc1cc(NC(=O)/C=C/c2ccccc2OC(F)F)cc(OC)c1OC 8755974 KBSUHWYDHIQSNZ-CMDGGOBGSA-N 379.359 3.966 0 40 GHAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccc(OC)cc2)CC1=O 6378106 SGROADNCDWXVIW-SJLPKXTDSA-N 380.488 3.878 0 40 GHAB COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1ccc(F)cc1F)CC2 5352948 CIGDKUXWTJJOBK-LBPRGKRZSA-N 376.403 3.540 0 40 GHAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)c1ccc(Br)cc1 6423488 MTGPYRIJHMVWJI-UHFFFAOYSA-N 387.185 3.595 0 40 GHAB C[C@@H](NCc1ccccc1CN1CCCCC1)C(=O)N1CCc2ccccc21 14183609 XKTGELOMLAYMIQ-LJQANCHMSA-N 377.532 3.740 0 40 GHAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)NCCSCc2ccccc2)cc1 14246176 MKXGJOLXUCBUCY-UHFFFAOYSA-N 398.557 3.966 0 40 GHAB CCOC(=O)c1c(COn2nnc3ccc(Cl)cc32)nc2ccccc2c1C 5458733 DKULRLNFMSTUMA-UHFFFAOYSA-N 396.834 3.747 0 40 GHAB Cc1csc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)n1 4691555 UFXIQXRRIYKTDX-UHFFFAOYSA-N 390.490 3.761 0 40 GHAB CC[C@H](C)N1C(=O)S/C(=C\c2cc(Br)cc(OC)c2O)C1=O 5554615 RYTYLTZFLKPWFA-QJZKUFFDSA-N 386.267 3.998 0 40 GHAB C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCc1cccc(Cl)c1 6779550 FVIOXQZCKWETBO-NSHDSACASA-N 395.684 3.537 0 40 GHAB CCCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(C)c1)S2 6812166 UQEUXTQLMDACJK-MOPGFXCFSA-N 393.516 3.937 0 40 GHAB CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2)c1 6906256 JXOXXOBUFMACOR-UHFFFAOYSA-N 388.395 3.968 0 40 GHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)Cc1coc2cc3c(cc12)CCC3 6947718 RXLZFKNLAZWHRW-UHFFFAOYSA-N 380.419 3.700 0 40 GHAB O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccc(Cl)cc1 67298660 IBXWKCKODAJKAW-JOGXUEJDSA-N 398.846 3.933 0 40 GHAB O=C(NC1CCCC1)c1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 71280731 BWYOPSIUQHHOSR-UHFFFAOYSA-N 392.503 3.713 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 7474203 AMDFGNNFZFZLON-AWEZNQCLSA-N 390.361 3.900 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCCCC1 7604446 BUORCPLQMAZLIR-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC)c(Cl)c2)NC(=S)N1 408603151 AYXCIAVYEYUBEY-INIZCTEOSA-N 382.913 3.875 0 40 GHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1ccc(F)cc1 9484645 FWJJJQXIILXFJS-UHFFFAOYSA-N 398.356 3.711 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(OC(F)F)c3)C2)nc1 72308194 XPILXJAUTYRREV-INIZCTEOSA-N 375.419 3.842 0 40 GHAB CCO[C@H]1C[C@H](NC(=O)NCc2ccc(OC)c(OC)c2)C12CCCCC2 72306085 BCKLWVAOCHTANI-OALUTQOASA-N 376.497 3.631 0 40 GHAB O=C1CC[C@]2(C(=O)NCC3CCSCC3)Sc3ccc(Cl)cc3N12 95396666 JGNIRPKPPFVVOE-QGZVFWFLSA-N 382.938 3.528 0 40 GHAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ccc(-c2ccccn2)cn1 95977622 NKCURUVLMJMPNK-UHFFFAOYSA-N 390.834 3.938 0 40 GHAB Cc1ccc([C@@H]2CN(C(=O)c3cccc(OCc4cscn4)c3)CCO2)o1 89652680 DFYWPSKTIJSWKA-IBGZPJMESA-N 384.457 3.837 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 20766152 TXJTUILBNDTMRK-UHFFFAOYSA-N 386.517 3.619 0 40 GHAB COc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 61997035 NBWDOUOXINLXBM-OAHLLOKOSA-N 377.868 3.928 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cc1C 408713042 HTXYNMIRQPWLPX-UHFFFAOYSA-N 377.853 3.848 0 40 GHAB Cn1ncc(NC(=O)c2ccc3c(Br)cnn3c2)c1-c1ccccc1 1556536894 ZMJYIERQTNQLCF-UHFFFAOYSA-N 396.248 3.750 0 40 GHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 408627113 KHGUNXQYKIBLQW-JLHYYAGUSA-N 381.501 3.822 0 40 GHAB O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cnc2ccc(F)cc2c1 535394193 PWRASKVKIPJNPX-SFHVURJKSA-N 383.810 3.563 0 40 GHAB O=C(Cc1ccccc1F)N1CCC(c2ncncc2-c2ccncc2)CC1 72389421 LXGGHVVRIOHQBY-UHFFFAOYSA-N 376.435 3.626 0 40 GHAB CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1 30868987 SEXQMVRLXKETCN-GOSISDBHSA-N 394.924 3.682 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1Cl 216389092 RMEXEFUWXZNRMS-UHFFFAOYSA-N 383.853 3.716 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H]2c2cccc(Nc3nc(C)c(C)s3)n2)cn1 72375305 GLCRYDUWMZILNG-QGZVFWFLSA-N 394.504 3.974 0 40 GHAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)C3CCCC3)C2)cc1 72346095 PXCNNDIVQOMABN-KRWDZBQOSA-N 380.492 3.631 0 40 GHAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 219202675 LDFMIORIRZQESJ-UHFFFAOYSA-N 380.488 3.963 0 40 GHAB CCCCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 40070270 KNZNONRMERLLGL-IAGOWNOFSA-N 392.565 3.758 0 40 GHAB C[C@@H](NC(=S)Nc1nc(N2CCCC2)cc(N2CCCC2)n1)c1ccccc1 225957462 AQTHYAXKRZBSCT-MRXNPFEDSA-N 396.564 3.725 0 40 GHAB COc1cc(N2CCC(C)CC2)nc(NC(=S)NC2CCCCCC2)n1 226009621 VCOJDLCTUNCFOL-UHFFFAOYSA-N 377.558 3.731 0 40 GHAB CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223488462 NYEKTBBBGNCULM-HSZRJFAPSA-N 390.458 3.884 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 223727405 ZTYQTZPAJNIYSY-HNNXBMFYSA-N 390.936 3.986 0 40 GHAB CCCOCc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC 224411291 RXDMKFVQVSVTFN-UHFFFAOYSA-N 387.476 3.612 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)N[C@H](C)c3ccc4c(c3)OCO4)o2)cc1 40037657 NUWXFCXGMVZPDO-CQSZACIVSA-N 379.416 3.584 0 40 GHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 96235935 AQQYFNZHLJGZHV-SFHVURJKSA-N 399.422 3.700 0 40 GHAB Cc1cc(NC(=O)C[C@@H](CC(=O)O)c2cccs2)ccc1N1CCCC1=O 96024578 BOHJEUHXLNBDTF-AWEZNQCLSA-N 386.473 3.770 0 40 GHAB Cc1sc(CCNC(=O)c2cn(C)nc2C(F)F)nc1-c1ccccc1 535101549 VCEOHBRDIOBSLQ-UHFFFAOYSA-N 376.432 3.762 0 40 GHAB CN(C(=O)c1ccccn1)[C@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257276742 NUXZHKQOPAJQTB-YYFMOJMFSA-N 394.515 3.789 0 40 GHAB CNC(=O)c1sc2nc([C@H]3CCCCN3C(=O)CC(C)(C)C)ccc2c1N 257261508 LHQMLCFSWUKEJR-CQSZACIVSA-N 388.537 3.728 0 40 GHAB O=C(COc1cccnc1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257214771 CNJLUIYKYSNTDP-QGZVFWFLSA-N 395.434 3.585 0 40 GHAB COc1ccc(C2CCC(N[C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 541539561 ATGZUIXNDYMEIT-CNBHCMJISA-N 396.535 3.549 0 40 GHAB COc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 260710221 FARRQSIGYLUJPJ-HUUCEWRRSA-N 385.537 3.769 0 40 GHAB CN(c1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(Cl)c1)S(C)(=O)=O 260504089 CSSUWQDEKUUVGA-SFHVURJKSA-N 392.908 3.543 0 40 GHAB C[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1ccc2c(c1)CCCO2 621185680 UDAFIPHTTWGIPW-INIZCTEOSA-N 375.472 3.827 0 40 GHAB FC(F)(F)COCc1ccc(-c2noc(-c3ccc4c(n3)OCCO4)n2)cc1 655960810 YTJAIJYNILYYPN-UHFFFAOYSA-N 393.321 3.649 0 40 GHAB CC(=O)Nc1nc(CN2Cc3ccc(Br)cc3C[C@H]2C)cs1 1232287303 PMAGWOWNWAZIAU-SNVBAGLBSA-N 380.311 3.811 0 40 GHAB CC(C)(C)c1ccc(CC(=O)NS(=O)(=O)c2cccc3cccnc23)cc1 1254877285 SULTWEOBAKADHQ-UHFFFAOYSA-N 382.485 3.580 0 40 GHAB O[C@@H](c1ccccn1)c1cccc(F)c1N1CCN(Cc2cccc(F)c2)CC1 72340705 MGBGDUFKQLJBKA-HSZRJFAPSA-N 395.453 3.764 0 40 GHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1ccc(-n2ccnc2)nc1 65493001 YRZBKCUNQATIRB-QGZVFWFLSA-N 379.464 3.682 0 40 GHAB Cc1cc(OC2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc(=O)n1C 585326494 NTWBVRDXOLMNJI-UHFFFAOYSA-N 398.547 3.670 0 40 GHAB Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)c(O)n1 1615117247 BCYNCMRGMUBXGG-BEFAXECRSA-N 383.467 3.754 0 40 GHAB CCOCc1cccc(S(=O)(=O)N2CCSC[C@H]2c2ccccc2)c1 1654170045 FMFBLVOUAFPILL-IBGZPJMESA-N 377.531 3.702 0 40 GHAB O=C1OC(c2ccccc2F)=N/C1=C/c1cccc(I)c1 811459 XIZXZLCBQSLWLM-NTEUORMPSA-N 393.155 3.775 0 40 GHAB COc1cc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc(Cl)c1OC 5310639 GTINJHKXHSMEAV-SNVBAGLBSA-N 388.807 3.512 0 40 GHAB CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc1OC 5533774 KKPWYJYQAWDXHH-IBGZPJMESA-N 379.412 3.765 0 40 GHAB COc1ccc2nc(CN3CCC[C@@H](n4c(=O)oc5ccccc54)C3)ccc2c1 12089317 JSMMXHSDFSRFGA-GOSISDBHSA-N 389.455 3.988 0 40 GHAB COc1ccc(CCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1OC 13708307 RSDUCBLQCRPBJJ-INIZCTEOSA-N 379.456 3.983 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 14398884 SXCSXMXQYHQARU-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCCN(Cc3ccc(C)o3)C1)O2 19216599 XBGUJROYZQFNJX-MBSDFSHPSA-N 398.503 3.618 0 40 GHAB COc1c(C)cccc1C(=O)NCCn1cc(-c2ccncc2)c(C2CC2)n1 19235882 LXXZXJZVCILRQA-UHFFFAOYSA-N 376.460 3.570 0 40 GHAB O=c1cc([C@H]2CCCCN2Cc2cccc(F)c2F)nc(-c2ccncc2)[nH]1 19292741 LZNBSQGJWLHTKZ-GOSISDBHSA-N 382.414 3.837 0 40 GHAB Cc1nc2cc(C3CCOCC3)nn2c(NCC2(N(C)C)CCCCC2)c1C 19555724 HSSISWICCWFUIE-UHFFFAOYSA-N 385.556 3.917 0 40 GHAB Cc1cc(=O)cc([C@H]2CCCN(C(=O)c3ccc4[nH]c(C(C)C)nc4c3)C2)[nH]1 19570261 MLWSRNATQNEEER-INIZCTEOSA-N 378.476 3.703 0 40 GHAB O=C(Cc1cccc2cccnc12)NCc1cc(Cl)c2c(c1)OCCCO2 19716232 DSTIGPVUZWERRN-UHFFFAOYSA-N 382.847 3.908 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)N1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21 19373893 GQVXXQDXLGAKCR-TXTKFYIRSA-N 392.499 3.598 0 40 GHAB COc1ccc(CN2CCC(c3cc4ncccc4c(O)n3)CC2)c(OC)c1 19552228 DILAOOPQHVBRSH-UHFFFAOYSA-N 379.460 3.732 0 40 GHAB O=c1c2nnc(SCc3ccc(Cl)cc3)n2ccn1-c1cccc(F)c1 35510522 NLTLVJJPZSYVIG-UHFFFAOYSA-N 386.839 3.965 0 40 GHAB Cc1c(Cl)cccc1C(=O)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 1614930629 KSXOHWSVVTVYHS-AABGKKOBSA-N 386.879 3.632 0 40 GHAB COc1ccc(NC(=O)CSc2nc3ccc(NC(C)=O)cc3s2)cc1 1063066 RMGJZEUJPJUUGF-UHFFFAOYSA-N 387.486 3.994 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2ccncc2)nn1 4358273 YJBQMAXQLYUCSQ-UHFFFAOYSA-N 386.864 3.931 0 40 GHAB COc1cc(Br)cc2cc(C(=O)OCc3ccccc3)c(=O)oc12 5043310 ITKSDOQLNKVWOB-UHFFFAOYSA-N 389.201 3.921 0 40 GHAB COc1cccc(C(=O)N2CCN(c3nc4c(Cl)cccc4s3)CC2)c1 5181908 CDOYZHVRTYIXHS-UHFFFAOYSA-N 387.892 3.921 0 40 GHAB CC(C)C(=O)N1CCc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2C1 9035748 ILDVTVIUXZWWQC-UHFFFAOYSA-N 386.879 3.898 0 40 GHAB CC(C)c1ccc(OCC(=O)NCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 16838591 GPPHALJNTPBXOC-UHFFFAOYSA-N 394.427 3.889 0 40 GHAB CCCCOc1ccc(NC(=O)NCc2cc(-c3ccncc3)nn2C)cc1 1775966758 XRLMZIIVGCMZJZ-UHFFFAOYSA-N 379.464 3.983 0 40 GHAB Cc1cc(N2CCC(n3nc(-c4ccccc4)ccc3=O)CC2)nc(C2CC2)n1 1775970842 SJTSHPLLUDWYEO-UHFFFAOYSA-N 387.487 3.728 0 40 GHAB O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(Cl)s1 585305104 QLEPUAFDKLERTM-SNVBAGLBSA-N 375.803 3.824 0 40 GHAB COc1ccc(CNC(=O)NCc2ccc([C@H](O)c3ccsc3)s2)cc1 207968236 NIRXCZNDWDQNOU-GOSISDBHSA-N 388.514 3.899 0 40 GHAB Cc1cc(C)cc(OCC(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)c1 16269290 BWOPIDAGAMCULY-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB O=C(Nc1cccc2ncccc12)c1cccc(CN2C(=O)CSC2=O)c1 40050036 INDHUDBYBPJMHY-UHFFFAOYSA-N 377.425 3.683 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)N(Cc2cnn(C)c2)C(C)C)c(Br)c1 40157046 VMMPYDQOKAAMIP-CQSZACIVSA-N 394.313 3.696 0 40 GHAB Cc1ccccc1N1CCN(CN2C(=O)S/C(=C/c3cccs3)C2=O)CC1 20265886 FDTLCEGQZFDEEO-QGOAFFKASA-N 399.541 3.873 0 40 GHAB COc1cc(OC)c(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)cc1Cl 20427370 GSBWDYRZJFGQIM-YJYMSZOUSA-N 388.851 3.515 0 40 GHAB Cc1cc2oc(=O)cc(CN3CCN(C(=O)CC4CCCC4)CC3)c2cc1C 29664298 WLEUOSCVJGNERC-UHFFFAOYSA-N 382.504 3.634 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(O)cc1 886708 XUFRDMBFHLPBGE-UHFFFAOYSA-N 396.472 3.604 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccco1)NC1CCCC1 904470 GUOHQQVAMZJYCT-UHFFFAOYSA-N 396.516 3.661 0 40 GHAB CCOC(=O)C1CCN(c2cc(C)nc3cc(-c4cccc(F)c4)nn23)CC1 1332041 ZZVPDNHZSJXCLH-UHFFFAOYSA-N 382.439 3.623 0 40 GHAB N[C@](CC(=O)O)(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 21301414 KGUHHPRYBKNVGO-DEOSSOPVSA-N 387.435 3.671 0 40 GHAB O=C(CCC(=O)OCC(F)(F)C(F)F)Nc1ccccc1Br 3155351 FZQJLMGURKVVBK-UHFFFAOYSA-N 386.139 3.611 0 40 GHAB O=C(NC[C@H]1OCCc2ccccc21)c1ccc(NC(=O)c2ccccc2)cc1 3635451 GSXOMGMNSPSGTB-JOCHJYFZSA-N 386.451 3.983 0 40 GHAB Cc1sc2nc([C@H](C)OC(=O)Cn3ccc4ccccc43)[nH]c(=O)c2c1C 52376593 DKUKOWGMXFRPGX-LBPRGKRZSA-N 381.457 3.861 0 40 GHAB O=C(CCCOc1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 7504823 WTGMLCWBCXGRHO-UHFFFAOYSA-N 376.859 3.987 0 40 GHAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Cl)no1 12028751 HWOAUGQTFDWNRW-KRWDZBQOSA-N 383.835 3.616 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CCc1nc(C(C)C)no1 32936206 WIJAHVHOZMONNS-GFCCVEGCSA-N 379.844 3.658 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)o1 33147590 ORUYDWXXYLDFDL-UHFFFAOYSA-N 391.276 3.916 0 40 GHAB O=C(CN1CCCCCCC1=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 53406411 SCXRXUXQIWVUAA-UHFFFAOYSA-N 383.467 3.715 0 40 GHAB CCn1ncc2c(C(=O)OCc3nnsc3Cl)cc(-c3ccccc3)nc21 23203080 XSKKQTPLONLUIZ-UHFFFAOYSA-N 399.863 3.980 0 40 GHAB O=C(Cc1cnn(-c2ccccc2)c1)OCc1cc(Cl)c2c(c1)OCCO2 26427600 VYFDGYNMZZABFR-UHFFFAOYSA-N 384.819 3.583 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1Cl 20495109 XYMFLJPYUXEBAQ-INIZCTEOSA-N 378.881 3.519 0 40 GHAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)c4ccccc4)c(=O)c23)C1 1331861 KVIGNOKGNRUKFR-CQSZACIVSA-N 381.501 3.887 0 40 GHAB COC(=O)c1cnc(NC(=O)/C=C/c2cc(Cl)ccc2OC(F)F)s1 24913885 KVBUBFXSMVUEGM-GORDUTHDSA-N 388.779 3.836 0 40 GHAB O=C(CN1CCC[C@H]1c1cccc(F)c1)NC[C@@H]1CCN(c2ccccc2)C1 106569763 XPEIDVALRBKKRD-AVRDEDQJSA-N 381.495 3.605 0 40 GHAB CC(C)Oc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCOCC2)cc1 57216645 JFMFNXIIZWMVKT-UHFFFAOYSA-N 383.444 3.889 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)c1C 56132107 FNTIRXCQLQCTQO-KRWDZBQOSA-N 394.475 3.672 0 40 GHAB CCCn1c(SCC(=O)NCc2ccc(C)cc2)nc2ccsc2c1=O 57425169 PWNDWBITVBWYGW-UHFFFAOYSA-N 387.530 3.585 0 40 GHAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCN(c2ccc(F)cc2)CC1 57413257 JOLUQUHXQXSIRW-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB COc1ccc(-c2nsc(NC(=O)COc3cc(C)cc(C)c3)n2)cc1OC 27664643 PNMPEBCKNQBZJS-UHFFFAOYSA-N 399.472 3.857 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 27222251 INVIAHBYJKZQCH-GOSISDBHSA-N 397.500 3.610 0 40 GHAB O=C(COc1ccc(F)cc1)NC[C@H](c1ccccc1Cl)N1CCCC1 27662190 XFQINLMYTGXQRW-LJQANCHMSA-N 376.859 3.811 0 40 GHAB COc1ccccc1OCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 27664298 NJNJKXGHPGIVFU-GOSISDBHSA-N 388.895 3.681 0 40 GHAB O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccc(Cl)s1 62165924 XALWLWXCCUZOIF-SNVBAGLBSA-N 388.836 3.557 0 40 GHAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1cc(-c2ccco2)[nH]n1 28239549 BSPPIZANBPXWEP-UHFFFAOYSA-N 380.448 3.787 0 40 GHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)N(C(C)C)C(C)C 10837656 NGKSCWLWLMOQSF-UHFFFAOYSA-N 382.526 3.843 0 40 GHAB O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N(Cc1cccnc1)C1CC1 28517457 BOKNEPHOJBDJPS-QGZVFWFLSA-N 387.892 3.729 0 40 GHAB CN(CCC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccccc1C(F)(F)F 12793291 CQHJBBDBEBZRTC-UHFFFAOYSA-N 397.372 3.744 0 40 GHAB COc1ccccc1C(=O)NCC(=O)Nc1ccccc1Oc1ccccc1 12852657 RKGGWNNGHXFJCT-UHFFFAOYSA-N 376.412 3.856 0 40 GHAB COc1ccccc1NC(=O)Cc1nc(CSc2nnc(C)s2)cs1 3411168 AANWYFRDRQNBJZ-UHFFFAOYSA-N 392.531 3.785 0 40 GHAB COc1cccc(OC)c1C(=O)OCC(=O)c1ccc(Br)s1 3529776 DXWOLWACJQZFMZ-UHFFFAOYSA-N 385.235 3.568 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)N(C)Cc2ccccc2Cl)c1 12935242 ZSDLJQTVCQHCMY-UHFFFAOYSA-N 386.908 3.854 0 40 GHAB C[C@H](OC(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)N(C)Cc1ccccc1 8518722 YWNCSVYOILDBAZ-AWEZNQCLSA-N 385.847 3.706 0 40 GHAB Cc1ccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)CC(C)C)cc1 13557583 SAUDCSVFVJDTKU-UHFFFAOYSA-N 398.528 3.992 0 40 GHAB COC(=O)CCSc1nc2c(c(=O)[nH]1)[C@@H](C1CCCC1)Cc1ccccc1-2 8769134 PEGLGYPOVDLDQQ-MRXNPFEDSA-N 384.501 3.922 0 40 GHAB Cc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2cccs2)c1 13857287 NWYGEEQEQRTOEM-UHFFFAOYSA-N 376.437 3.957 0 40 GHAB C[C@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccc2ccccc2c1 14186464 JFXDHPKEPLDJJF-ZDUSSCGKSA-N 385.261 3.641 0 40 GHAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]21 306127011 FLJLGRLPYUUMSH-UNMCSNQZSA-N 394.471 3.643 0 40 GHAB COc1cccc(CNC(=O)CCCC(=O)N[C@@H](C)CCc2ccccc2)c1 4680887 RNUSJRKYIPTNKX-SFHVURJKSA-N 382.504 3.619 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(C)C)cc2)C1=O 4704835 MGJLWAFEHQGWAC-BVTUPMQUSA-N 377.462 3.709 0 40 GHAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccccc1F 6744951 GFTVSBQOFBIBBW-NRFANRHFSA-N 395.434 3.893 0 40 GHAB Cn1cc(C(=O)Nc2ccc3c(c2)CCC3)c(-c2ccc3c(c2)OCCCO3)n1 14887726 LTUNNRXDNIMDQC-UHFFFAOYSA-N 389.455 3.989 0 40 GHAB CCOc1ccc(NC(=O)/C(=C\c2cccnc2)NC(=O)c2cccs2)cc1 4811359 QLJXTVDGUSRLMY-QGOAFFKASA-N 393.468 3.951 0 40 GHAB COc1ccc(-c2nc(CN3CCN(c4ccccn4)CC3)cs2)cc1OC 6949099 YRIAYRNKECVCAM-UHFFFAOYSA-N 396.516 3.545 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c(C)c1 22340920 LZHRXWDGZBCYFB-GOSISDBHSA-N 388.533 3.564 0 40 GHAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCN(c2ccccc2Cl)CC1 7715338 KAKKFKYUSYRASZ-UHFFFAOYSA-N 376.859 3.985 0 40 GHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1CCC(C)CC1 16226827 YFGUKDGFTGTUOE-UHFFFAOYSA-N 393.409 3.949 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 8074449 FSWFLMAQADAKEV-UHFFFAOYSA-N 378.457 3.658 0 40 GHAB Cc1cc(C)c(N(CC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)c(C)c1 22386981 SIWRSUMLGYMYOY-UHFFFAOYSA-N 394.924 3.978 0 40 GHAB C[C@@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)NCc2cccc(Cl)c2)N=C1O 9547450 NBVMJOPWTOJCLR-KSSFIOAISA-N 399.878 3.622 0 40 GHAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2nnnn2-c2ccccc2)o1 9516310 OOVBHIULJNTHEN-LBPRGKRZSA-N 398.423 3.617 0 40 GHAB C[C@@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(-n2ccnc2)cc1 9549695 OJBCHHFVZJZGAR-OAHLLOKOSA-N 389.484 3.811 0 40 GHAB O=S(=O)(NCCc1csc(-c2ccccn2)n1)c1ccc2c(c1)CCCC2 19942369 QRMOYGMFVXCIKL-UHFFFAOYSA-N 399.541 3.605 0 40 GHAB COc1ccc2c(=O)c(C(=O)N(C)Cc3ccccc3C(F)(F)F)c[nH]c2c1 83865540 GXKLUSIHIKTCBJ-UHFFFAOYSA-N 390.361 3.828 0 40 GHAB COCCn1cc(NC(=O)Nc2cc(Cl)c(C)cc2Br)cn1 97143628 BLCWSGVFKRTHQG-UHFFFAOYSA-N 387.665 3.898 0 40 GHAB C[C@@H](CNC[C@H](O)COc1ccc(F)cc1)c1cccc(Br)c1 84640033 DQURLFNALPQALH-GUYCJALGSA-N 382.273 3.721 0 40 GHAB CCOc1ccc(OC(=O)[C@@H](C)n2c(S)nnc2-c2cccs2)cc1 95958493 VWCZDRAEEXAISB-LLVKDONJSA-N 375.475 3.861 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1Cc1nnc(C2CC2)o1 89662122 LRGIYYNINPPMOC-HZPDHXFCSA-N 376.501 3.701 0 40 GHAB O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)Nc3ccccc3F)ccc21 28206569 XQNAOHZQVZLFSG-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB Cc1cncc(C(=O)N2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 306133201 MEVJXPOTKPJACO-IBGZPJMESA-N 398.470 3.515 0 40 GHAB COc1cc([C@@H](c2c(C)[nH]c3ccccc23)N2CCOCC2)cc(OC)c1OC 21670515 ZXFMWBLSMWEDIZ-QFIPXVFZSA-N 396.487 3.924 0 40 GHAB CCCCn1c(SCC(=O)NC2CCC(C)CC2)nc2cc(C)[nH]c2c1=O 67239333 SFWBQHUUNVZCCT-UHFFFAOYSA-N 390.553 3.620 0 40 GHAB COc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 408709038 OIQNPFCUFJXMQN-UHFFFAOYSA-N 386.757 3.622 0 40 GHAB O=C(c1ccccn1)N1CCC[C@@H](c2nc3ccc(-c4cccs4)cn3n2)C1 306137330 QTDDHNCVTJHYKS-MRXNPFEDSA-N 389.484 3.873 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1F 35289555 RAUFSEYZLOASML-QGZVFWFLSA-N 396.871 3.579 0 40 GHAB Cc1nc([C@@H]2CCCN(C(C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F 72371924 OGQNZTIQRQBDAS-GOSISDBHSA-N 396.510 3.644 0 40 GHAB CC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 39563689 DJHOOSVXTKVZIP-IOMDMTNGSA-N 381.428 3.510 0 40 GHAB Cc1ccc(C(=O)Cn2nc(N)n(Nc3cccs3)c2=S)cc1Cl 36625645 XBBFEDWSTVLWIK-UHFFFAOYSA-N 379.898 3.778 0 40 GHAB COCC(=O)N1CCC[C@@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1 72390237 ZWEHFRIQYNJBSM-LLVKDONJSA-N 385.386 3.717 0 40 GHAB O=C(c1ccccn1)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 72362249 JJBFZEQRJYBOKF-OAHLLOKOSA-N 378.407 3.823 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(F)cc1 40484592 ZXYIZMQWUYVEPV-IBGZPJMESA-N 393.422 3.744 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1cccc(CN2CCCCC2)c1 224644077 LWCZOBXLHCXLON-CSKARUKUSA-N 378.472 3.731 0 40 GHAB Cc1cc(C)c([C@@H](C)NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1C 223411818 NGWRQANSXOTVBD-GOSISDBHSA-N 388.533 3.564 0 40 GHAB Cc1ccccc1OCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 222626772 FNBYBHPMWVAFRM-GOSISDBHSA-N 382.504 3.706 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 222978359 DYXKNKDYIQCJQZ-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc21 225708208 YPCNVCUTWBNJFW-UHFFFAOYSA-N 396.921 3.776 0 40 GHAB COc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1N 226269167 NRLHQXXGZJFWCX-UHFFFAOYSA-N 396.228 3.751 0 40 GHAB COc1ccc(CCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 225319167 GDAAZOSNEDKUCE-UHFFFAOYSA-N 385.851 3.990 0 40 GHAB CC(C)c1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1 223343271 WUAYMKVGBKVKLV-UHFFFAOYSA-N 380.853 3.709 0 40 GHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 222672484 ZEUAJNFQWNJVES-MRXNPFEDSA-N 386.467 3.537 0 40 GHAB COc1ccc(/C=C/C(=O)NCCOc2ccc(C)c(C)c2)c(OC)c1OC 223452087 JJROJEQRHXEALA-DHZHZOJOSA-N 385.460 3.538 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1 222562646 CLBBJGXXYKJKPH-SIKLNZKXSA-N 380.532 3.994 0 40 GHAB Cc1cc(C)c(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c(C)c1 225952673 HIDMFIUBTDUPHS-KRWDZBQOSA-N 394.924 3.884 0 40 GHAB Cc1cc(C)cc(N([C@@H](C)C(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c1 223893312 QCSJIZLWXOVWGL-INIZCTEOSA-N 382.570 3.789 0 40 GHAB COc1cc(Cc2noc([C@@H]3[C@@H](C)[C@H]3c3ccccc3)n2)ccc1S(C)(=O)=O 583228939 GHHPXPLHRMSINC-QTJFZDIUSA-N 398.484 3.590 0 40 GHAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1cc2cc(Cl)ccc2[nH]1 238914416 SKRQUPUDLGKLIV-UHFFFAOYSA-N 383.883 3.821 0 40 GHAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)CC3CCCC3)CC2)Oc2ccccc21 96242943 PSKOJDDMPYHSEI-LJQANCHMSA-N 398.547 3.973 0 40 GHAB COc1ccc(NC(=O)NC[C@H]2Cn3cc(-c4ccc(C)cc4)nc3CO2)cc1 96269244 UKQHVJNCVMMTCB-IBGZPJMESA-N 392.459 3.588 0 40 GHAB biogenic,in-vitro CN(C)Cc1cccc(-c2cccnc2C(=O)NCCc2ccc(F)cc2)c1 257266174 MBWJJEMBHXVSLD-UHFFFAOYSA-N 377.463 3.922 0 40 GHAB C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2-c2c(F)cccc2F)CS1(=O)=O 666813131 TXLQJBWYOOHTLQ-CHWSQXEVSA-N 394.443 3.719 0 40 GHAB Cc1nc(-c2cnn(C)c2)oc1C(=O)N(C(C)C)[C@@H]1CCCc2cccnc21 606445880 CLCQMXIOYAUTHV-QGZVFWFLSA-N 379.464 3.707 0 40 GHAB COc1ccccc1NC(=O)Cc1noc(C[C@]23CCCC[C@H]2C3(F)F)n1 585091634 ADMBVFXEFGYVDX-RDTXWAMCSA-N 377.391 3.627 0 40 GHAB COc1ccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)cc1OC 5527289 CBLPVPFWOIPOCD-UHFFFAOYSA-N 394.456 3.880 0 40 GHAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2cccnc2)cc1 12145573 OVYBANPPHAWTKP-IBGZPJMESA-N 376.460 3.719 0 40 GHAB Cc1noc(C)c1C(=O)N1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 12181413 SMNGJEAKKQTBJA-BIGNPOOSSA-N 397.401 3.773 0 40 GHAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(F)cc1 14291299 JSTRDYQTHIUPFN-UHFFFAOYSA-N 383.408 3.561 0 40 GHAB Cc1sc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)nc1-c1ccc(F)cc1 15940403 ZMDBBRZGNBAGSH-FZKQIMNGSA-N 391.493 3.650 0 40 GHAB Cc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)cc1C 19946778 IHSSOAAPEMJSEY-UHFFFAOYSA-N 386.517 3.511 0 40 GHAB CC(C)NC(=O)C1(C[C@@H]2CC(c3ccc(C(F)(F)F)cc3)=NO2)CCOCC1 12226517 HBYLPVJZXOYDFU-INIZCTEOSA-N 398.425 3.910 0 40 GHAB COc1ccccc1CCC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 257240942 HVUQLTFTCOLGJQ-LTMIRXACSA-N 381.520 3.645 0 40 GHAB O=c1c2ccc(F)cc2ncn1CC1CCN(Cc2ccc(F)c(F)c2)CC1 1888964209 DLMZKFFLJNFJJD-UHFFFAOYSA-N 387.405 3.726 0 40 GHAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(N2CCCCC2=O)cc1 27822663 JSBZJAGOEHEITR-UHFFFAOYSA-N 383.835 3.862 0 40 GHAB O=C(c1cc(C2CC2)on1)N1CCC(COc2ncccc2C(F)(F)F)CC1 1775995940 OCFNCZBGPQYSFB-UHFFFAOYSA-N 395.381 3.897 0 40 GHAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1C 2723065 UFNHLRLDRIRAEH-UHFFFAOYSA-N 381.457 3.949 0 40 GHAB CCCSc1nnc(CNC(=O)c2ccccc2)n1-c1ccccc1OC 4059315 BEEMKQCIHWDDHH-UHFFFAOYSA-N 382.489 3.708 0 40 GHAB COc1ccc(C(=O)NCCSc2ncc(-c3ccccc3)[nH]2)cc1OC 4315522 YTUPCIMSQQVPGB-UHFFFAOYSA-N 383.473 3.616 0 40 GHAB COc1cc2nc(NC(=O)COc3ccc(Cl)cc3)sc2cc1OC 4479911 DRBFHPMCCKYHON-UHFFFAOYSA-N 378.837 3.984 0 40 GHAB COc1ccc([C@H]2Sc3[nH]c(=O)sc3[C@@H]3c4ccccc4OC(=O)[C@@H]23)cc1 4594573 RNGXRKMCDCIEIL-BZUAXINKSA-N 397.477 3.959 0 40 GHAB CCOc1ccc(-c2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)nn1 4939983 UXTAYFQNDZQJIU-UHFFFAOYSA-N 379.416 3.812 0 40 GHAB COc1cccc2sc(N(Cc3ccccn3)C(=O)c3cc(C)n(C)n3)nc12 9002397 OKAUVIUHZCAKPN-UHFFFAOYSA-N 393.472 3.589 0 40 GHAB Cn1/c(=N\C(=O)[C@@H]2COc3ccccc3O2)sc2c3ccccc3ccc21 11726305 VKJHDXWFMRBKBQ-VEGAHXMMSA-N 376.437 3.660 0 40 GHAB O=C(Cc1ccc2c(c1)OCO2)N1CCS[C@H](c2cc(F)ccc2F)CC1 219327272 OWKUWLZOICZEJX-IBGZPJMESA-N 391.439 3.943 0 40 GHAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575613195 POPMCXJQMYKZTH-HXUWFJFHSA-N 377.419 3.966 0 40 GHAB O=C(c1ccccc1Br)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575613189 PNKOQIXVMPBMKS-LBPRGKRZSA-N 396.672 3.576 0 40 GHAB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)ccc1O 9109319 APWVSSJLYLYSHO-FQEVSTJZSA-N 395.459 3.674 0 40 GHAB CCOc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc3cc[nH]c3c2)cc1 13576984 MRYLTXZJIUKSNQ-UHFFFAOYSA-N 394.427 3.711 0 40 GHAB COc1ccccc1C(=O)OCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 40057223 WNOKPGATRXIEQD-UHFFFAOYSA-N 391.427 3.554 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1ccccc1C(=O)N1CCOCC1 40120242 GPHRRMMAZRMHSA-FUHIMQAGSA-N 387.524 3.741 0 40 GHAB CC(C)Cn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cccnc1 20171530 GVXYGIDFWDSLHJ-RDJZCZTQSA-N 387.553 3.783 0 40 GHAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(F)c(C(N)=O)c3)cs2)cc1 31986562 HXSATRZNUYPCLO-UHFFFAOYSA-N 385.420 3.521 0 40 GHAB CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cc2)cc1 29600892 WZXOTDOJLLOJQF-OAHLLOKOSA-N 380.444 3.827 0 40 GHAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C)o2)cc1 873458 FRFHCELCRWSFOV-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)C(F)(F)F)c(=O)[nH]c2c1C 1359440 IVXJEWQYGQRSBP-UHFFFAOYSA-N 378.350 3.829 0 40 GHAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(N4CCN(C(=O)C5CC5)CC4)c23)C1 1377090 ZBXAWKQORJLBOX-ZDUSSCGKSA-N 396.560 3.752 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)c1ccc(Cn2cc(Br)cn2)o1 2762080 PVZBZHFESXNDAL-UHFFFAOYSA-N 382.164 3.817 0 40 GHAB COc1cccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)no2)c1 4176512 YDPINVAUNBTRQW-UHFFFAOYSA-N 397.456 3.642 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1C 32899739 BXSZBPWIYZJVTB-JOCHJYFZSA-N 375.472 3.906 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC2CCCCCCC2)cc1 6300510 DNLFKIFIVSJDLA-FQEVSTJZSA-N 394.581 3.917 0 40 GHAB COc1ccc(C2=NO[C@H](C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)C2)cc1OC 6738569 YLYXNLWJZSDRHL-QOEFQVSFSA-N 386.492 3.624 0 40 GHAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cccnc4)c3C)C2=O)c1 6967228 QUPVUHGOKYDZEK-CIAFOILYSA-N 386.455 3.890 0 40 GHAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(Cl)c3C)ccc21 8587155 CSFHBDOLUATZBJ-UHFFFAOYSA-N 378.881 3.613 0 40 GHAB CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)cc1C(=O)NC 102989290 CUHMRLSANSWPQU-UHFFFAOYSA-N 398.850 3.536 0 40 GHAB Cc1cc(S(=O)(=O)n2c(C)nc3ccccc32)c(C)cc1Br 644575 JDQJUIKXCMSAQL-UHFFFAOYSA-N 379.279 3.961 0 40 GHAB O=C(C1CC1)N1CCC(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CC1 41999591 AVYWLWFTLGINQE-UHFFFAOYSA-N 378.875 3.619 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2=O)cc1 53636249 UCMGFSSEFRIKPU-SFHVURJKSA-N 388.471 3.789 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccccc2)n(-c2cc(C)c3ccccc3n2)n1 12251409 YIDNJWOGZVMHSY-UHFFFAOYSA-N 378.457 3.838 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 23042052 HHYDBWVTPCJBSG-FQEVSTJZSA-N 379.481 3.804 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 24336090 ZRMSXFJFGLSFKT-UHFFFAOYSA-N 393.512 3.777 0 40 GHAB O=C(c1ccc(I)cc1)c1ccc(C2OCCO2)s1 43210409 IVUFECODFWKOGF-UHFFFAOYSA-N 386.210 3.629 0 40 GHAB C=C1c2ccccc2NC(=O)N1Cc1ccccc1S(=O)(=O)N1CCCCC1 25055620 MQDIVYHSZSSYND-UHFFFAOYSA-N 397.500 3.880 0 40 GHAB CCOc1cccc(N2C(=O)C[C@@H](SCc3nc4ccccc4[nH]3)C2=O)c1 1441806 IRKMZSDJPAMOKF-QGZVFWFLSA-N 381.457 3.527 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 25254786 SVPLKFWYXJRBOV-HUUCEWRRSA-N 387.549 3.736 0 40 GHAB CCc1ccc(NC(=O)CCc2nc(-c3cc4ccccc4[nH]c3=O)no2)cc1 64790037 VCOLIRXEELNAQL-UHFFFAOYSA-N 388.427 3.712 0 40 GHAB CCc1cccc2c(C(=O)COC(=O)CSc3nc(C)cc(C)n3)c[nH]c12 12590916 ULIPBDYYGPSZFH-UHFFFAOYSA-N 383.473 3.655 0 40 GHAB CC(C)CN(CC(C)C)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 57708937 CTULRSRYXIJJKC-UHFFFAOYSA-N 384.307 3.844 0 40 GHAB Cc1nc(-c2ccc(CCN3C(=O)c4ccccc4S3(=O)=O)cc2)cs1 44645322 QVSZZBRNKHFPOD-UHFFFAOYSA-N 384.482 3.506 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCC[C@H]1c1ccccc1 10088707 LCDSUUFVYAPMRI-IBGZPJMESA-N 385.895 3.574 0 40 GHAB COc1cc(CCC(=O)OCC(=O)c2ccc(Cl)cc2)cc(OC)c1OC 3296367 SFBAUZDJDLIYFK-UHFFFAOYSA-N 392.835 3.725 0 40 GHAB CC(C)c1c(C(=O)N[C@H](C)COCC(F)(F)F)cnn1-c1ccc(F)cc1 58229487 MHWVZINTAHAIFK-GFCCVEGCSA-N 387.377 3.832 0 40 GHAB Cc1cc(C)cc(OCCN(C)C(=O)c2cccc(Nc3ncccn3)c2)c1 28065295 PBJMUNFLNPALFS-UHFFFAOYSA-N 376.460 3.988 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N2CCC(CCc3ccccc3)CC2)cc1 10680760 NXIFFZSEYAIVFZ-UHFFFAOYSA-N 387.501 3.507 0 40 GHAB CN(Cc1ccccc1)C(=O)CSc1ncnc2c1cnn2-c1ccccc1 3323657 YFXBKXWVYXSPGQ-UHFFFAOYSA-N 389.484 3.566 0 40 GHAB CCCn1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2cnn3C)n1 36613594 VCJUSAHYPGTTNI-UHFFFAOYSA-N 390.447 3.503 0 40 GHAB Cc1ccc(CNC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1 3369748 XCZSXWCHAWPUDG-UHFFFAOYSA-N 376.243 3.940 0 40 GHAB O=C(CSc1nnnn1CCc1cccs1)N(C1=CCCCC1)C1CC1 48354738 BKWQTUGIHGNYOA-UHFFFAOYSA-N 389.550 3.518 0 40 GHAB O=C(NCCc1nnc2n1CCCCC2)c1ccc(Oc2ccc(F)cc2)cc1 12897827 CBFRWEVECNRPOB-UHFFFAOYSA-N 394.450 3.908 0 40 GHAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc(SC(F)F)cc1 12916950 HUWLTMZTHAFRCJ-UHFFFAOYSA-N 378.322 3.821 0 40 GHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)c12 12910868 LZQHEAFASRJHLW-HXUWFJFHSA-N 391.519 3.529 0 40 GHAB CN(Cc1ccccc1F)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 13007735 CLLUICTXQURVBU-JOCHJYFZSA-N 390.458 3.825 0 40 GHAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)Cn1nnc2ccccc21 28236850 BJTDQFFJJKEKER-UHFFFAOYSA-N 394.866 3.585 0 40 GHAB CCN1CCN(c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)CC1 4123062 YULWLIKREUMTEL-UHFFFAOYSA-N 387.911 3.808 0 40 GHAB O=C(O)CCCN1C(=O)/C(=C/C2=Cc3cc(Cl)ccc3OC2)SC1=S 69974814 TXLNBGJCFTUBLR-AUWJEWJLSA-N 395.889 3.725 0 40 GHAB Clc1ccc(-n2ncc3c2ncn2c(-c4cccnc4)nnc32)cc1Cl 5218477 LQPIIYWWQZYRFE-UHFFFAOYSA-N 382.214 3.832 0 40 GHAB O=C(OCc1cc(=O)n2ccsc2n1)c1cc2c(s1)-c1ccccc1CC2 5303024 HKNGIMMTERHOTL-UHFFFAOYSA-N 394.477 3.940 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NC(C)C)c(Cl)cc1Cl 14231710 QHQSYRBUBFNGFX-SNVBAGLBSA-N 381.325 3.599 0 40 GHAB CCOC(=O)c1c(/C=C/C(=O)N2CCc3ccccc3C2)c(C)n(CC)c1C 27026457 FYNUDEJNASIHQA-VAWYXSNFSA-N 380.488 3.900 0 40 GHAB O=C(CSc1n[nH]c(C23CC4CC(CC(C4)C2)C3)n1)N[C@@H]1C[C@H]2CC[C@H]1C2 408582682 OWZQXXUFNSLRHI-MNEUYUFRSA-N 386.565 3.669 0 40 GHAB CC(C)CC(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 6661528 DMJZCVGSLXZQMR-QGZVFWFLSA-N 393.480 3.648 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2cc(F)ccc2C)n1C 4736514 BNGWBUKHNANLNG-UHFFFAOYSA-N 386.452 3.669 0 40 GHAB Cc1ccc(-c2ccc3c([C@H]4CN(Cc5cccnc5)CCN4C)nnn3c2)cc1 306125381 COBVWZCWYFCZHL-HSZRJFAPSA-N 398.514 3.588 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(NC(C)C)c2ccccc23)c1 6804972 VQURISKBBLELLP-UHFFFAOYSA-N 395.488 3.547 0 40 GHAB COc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)NC3CC3)c3ccccc3n2)cc1 5889716 OBOLCYKQIFVAOI-AWEZNQCLSA-N 390.439 3.734 0 40 GHAB O=c1cc(COc2ccc(F)c(Cl)c2)nc2ccc(Br)cn12 4958004 DJWOVFVKFNNNLP-UHFFFAOYSA-N 383.604 3.829 0 40 GHAB O=C(NC1CCCCC1)c1ccc(Oc2nccnc2N2CCSCC2)cc1 67324001 SLYBBOJCHLHTAW-UHFFFAOYSA-N 398.532 3.885 0 40 GHAB Cc1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCCO3)c2ccccc2n1 7480096 VWQKKGACWAOSJT-UHFFFAOYSA-N 377.396 3.744 0 40 GHAB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 7436541 XWIIZZNJNMVLTP-RXVVDRJESA-N 394.515 3.556 0 40 GHAB CCOC(=O)c1ccoc1CN(C)CC(=O)Nc1c(Cl)cccc1Cl 8936791 IFJNPIKTWAGUQJ-UHFFFAOYSA-N 385.247 3.834 0 40 GHAB CCOc1cc(C(=O)OCC(=O)N[C@H](C)c2ccco2)ccc1OCC(C)C 19317277 JZDBHSXONGUUOI-OAHLLOKOSA-N 389.448 3.747 0 40 GHAB CCOc1cc(CNC2CCCC2)ccc1Oc1nnnn1-c1ccccc1 9356189 HSWSLCPRYBMKOS-UHFFFAOYSA-N 379.464 3.886 0 40 GHAB CCCNC(=O)C1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C)CC1 97077470 XAYVZGVTMSEEFF-UHFFFAOYSA-N 389.883 3.682 0 40 GHAB COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4cccs4)C[C@@H]32)cc1 306131839 KQRFNWHLWDTITL-RTWAWAEBSA-N 393.512 3.640 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2oc3ccc(OC)cc3c2C)c1C 9513506 KQQZRLLOTZDKEE-UHFFFAOYSA-N 399.399 3.521 0 40 GHAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 83969984 RCAQUYUHBJWHCI-PWHSHALESA-N 382.548 3.981 0 40 GHAB Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28238009 SLGNXCYUOOSZSB-AWEZNQCLSA-N 376.382 3.878 0 40 GHAB Cc1ccc2nc(COC(=O)c3ccc(OCCC(C)C)cc3)cc(=O)n2c1 21991165 GNZTZBBPJQPMEX-UHFFFAOYSA-N 380.444 3.785 0 40 GHAB CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)ccc1OCc1ccccc1 409008040 VBFLSJDYQDKEKY-ATVHPVEESA-N 382.485 3.742 0 40 GHAB Cc1ccc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4cccnc4)ccc2S3(=O)=O)s1 306127791 GHRPBCLNQXBDAO-PZJWPPBQSA-N 396.537 3.874 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)NCc3ccc(CC)cc3)CC2=O)cc1 408706761 DFZODOJLJSMKRA-LJQANCHMSA-N 380.488 3.707 0 40 GHAB CN(C)c1ncn(-c2cccc(NC(=O)[C@H]3C[C@@]34CCCc3ccccc34)c2)n1 506119856 BAPQLJAMLAHQQS-NFBKMPQASA-N 387.487 3.566 0 40 GHAB Cc1cc(C(=O)N2CC[C@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)c(C)o1 306134892 OAXLECPFYJPQAA-QFIPXVFZSA-N 395.434 3.714 0 40 GHAB O=C(CN1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1)N1CCCCC1 72374165 GPGFFJLRICPREB-UHFFFAOYSA-N 397.498 3.551 0 40 GHAB O=C(CCCN1CCCC1)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 72363110 HHSAHFYVMVQBOV-IBGZPJMESA-N 394.519 3.851 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 216285195 UXJBXCSFXZIRFT-KDOFPFPSSA-N 394.924 3.762 0 40 GHAB CC(=O)c1cnc2sc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c1 31660247 FXVMAIRBWJCGDH-UHFFFAOYSA-N 395.484 3.896 0 40 GHAB CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccccc1 30850467 KPUXVDSVSSCCJA-QGZVFWFLSA-N 394.924 3.682 0 40 GHAB COc1ccc(CN2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)cc1 72380593 ARTSNMGTCNXPQZ-NRFANRHFSA-N 382.508 3.818 0 40 GHAB C[C@@H](Nc1nc(NCCO)c2cnn(-c3ccc(F)cc3)c2n1)c1ccccc1 38486262 OEXRMNDLGWTWJM-CQSZACIVSA-N 392.438 3.532 0 40 GHAB CCOC(=O)C1CCN(c2ncc(-c3cc(C)no3)c(-c3cccs3)n2)CC1 72336735 MFIZDZDLRIYLTE-UHFFFAOYSA-N 398.488 3.948 0 40 GHAB COC(=O)c1cccc(NC(=S)NCCCSCc2ccco2)c1C 225594016 OUOBWVWJSAIRQF-UHFFFAOYSA-N 378.519 3.985 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1c(F)cccc1F 45829722 OJQRQLMSESHUJG-UHFFFAOYSA-N 394.443 3.700 0 40 GHAB Cc1cccc(C)c1NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225950578 JKPJIFDIOYWNHM-INIZCTEOSA-N 380.897 3.576 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 222444672 UHXKADPWKRGHIL-GOSISDBHSA-N 384.545 3.700 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CSc2nc3nc(C)c(C)c(C)n3n2)cc1C 40119172 OOSDFMLVVOZQGY-HNNXBMFYSA-N 383.521 3.636 0 40 GHAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O 223261268 HVLCTMPHTFYEAB-QHCPKHFHSA-N 396.531 3.961 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 220299811 QBXGTPPJUNTPOM-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1NC(=O)C(C)C 223827809 BQSCNVDOLWSNDS-UHFFFAOYSA-N 392.546 3.824 0 40 GHAB CCOc1cc(CN2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)ccc1O 199431342 VRQMRKUJSATIFJ-NRFANRHFSA-N 394.515 3.730 0 40 GHAB Cn1c([C@@H]2CCOC2)nnc1N(Cc1cccs1)C1Cc2ccccc2C1 571328502 FXZQXLKAHJDTCC-QGZVFWFLSA-N 380.517 3.555 0 40 GHAB COc1ccc(NC(=S)NCc2nc(-c3cccs3)no2)cc1Cl 225826929 PVXPESCQXHHMCI-UHFFFAOYSA-N 380.882 3.947 0 40 GHAB CSc1cccc(N(CCCC(=O)NCC2=CCCCC2)S(C)(=O)=O)c1 224802949 XMKZYFPGSJTNQO-UHFFFAOYSA-N 396.578 3.571 0 40 GHAB O=C(CCn1cnc2ccccc2c1=O)N[C@H](c1ccc(F)cc1)C1CCCC1 40117474 QZUTVHBFMPMOAV-QFIPXVFZSA-N 393.462 3.973 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225212547 RRSJYWGWEHYTME-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3ccc(C)cc3C)ccc21 225693606 WKCHXJCBFRMOFO-AWEZNQCLSA-N 390.530 3.739 0 40 GHAB O=S(=O)(N[C@H]1CCC12CCN(Cc1ccc(F)cc1)CC2)c1ccccc1 96051633 AAHDCUJLLFJGGC-FQEVSTJZSA-N 388.508 3.549 0 40 GHAB Cc1nc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c(C)o1 585085930 XKHMTHKGORZHMA-QGZVFWFLSA-N 391.899 3.527 0 40 GHAB O=C(c1ccnnc1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257292801 QMZMYNSGTSDXIC-PKOBYXMFSA-N 399.878 3.665 0 40 GHAB COc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)NCCc1ccccc1 585139054 HCSFGMHLGGSQEE-OALUTQOASA-N 380.488 3.799 0 40 GHAB Cc1noc(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 257198654 FNTZOFACFLKARG-KLJZETAQSA-N 383.536 3.646 0 40 GHAB C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1cccc(NS(C)(=O)=O)c1 658252229 HVMIHWWRTGCTJU-BMGDILEWSA-N 380.554 3.835 0 40 GHAB COc1ccc(C(=O)N2[C@H](C(=O)O)CC[C@H]2c2ccccc2)cc1OC(F)F 621587991 NRQZWRCOOWHKJK-GJZGRUSLSA-N 391.370 3.727 0 40 GHAB CC(=O)Nc1ccc(CC(=O)N2CCOc3c2cccc3C(F)(F)F)cc1 653932101 YUNIYCMMVKHVBJ-UHFFFAOYSA-N 378.350 3.632 0 40 GHAB COc1ccc(CCC(=O)NCCn2nc(C)c(-c3ccsc3)c2C)cc1 575612360 CGQHMEXBMIGMTN-UHFFFAOYSA-N 383.517 3.986 0 40 GHAB CN(C)[C@H](CNCc1cc(Br)c2c(c1)OCO2)c1cccc(F)c1 58171957 MNHYZZGTKYUNEV-MRXNPFEDSA-N 395.272 3.709 0 40 GHAB CC(=O)N1c2ccc(NC(=O)c3nn4c(C)cc(C)nc4c3Cl)cc2C[C@H]1C 12204491 HYXUZYDPNWSTBJ-LLVKDONJSA-N 397.866 3.549 0 40 GHAB C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)C1 13010758 FXLUQUUCLFVPJY-QGZVFWFLSA-N 398.528 3.700 0 40 GHAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)n2c(nc3ccccc32)N1 17076739 IJCIROWZVYDTLD-AWEZNQCLSA-N 375.215 3.865 0 40 GHAB C[C@@H]1C[C@@H](C)CN(Cc2c3cccn(CC(=O)N(C)C)c-3nc2C(F)(F)F)C1 19462576 DFWHBCZURRWXHU-ZIAGYGMSSA-N 396.457 3.573 0 40 GHAB Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)c1C 165725739 OCTWCNDIWCNAII-LRGYGIHKSA-N 386.451 3.867 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 6441674 CWHGEYSLWKAMJE-WEVVVXLNSA-N 375.808 3.796 0 40 GHAB CC(C)[C@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2 28794123 IKVFKCDFUHYOPV-QFIPXVFZSA-N 379.460 3.780 0 40 GHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC(=O)NCc1ccccc1 1775964362 JMQNTKGZYCTQRV-VRXWPRPYSA-N 383.536 3.692 0 40 GHAB biogenic,in-vitro CC(C)c1ccc(CN2CCC[C@@]3(CC(C(=O)NCC(F)(F)F)=NO3)C2)cc1 2056226137 LIDIZZUWVJDMRQ-LJQANCHMSA-N 397.441 3.599 0 40 GHAB Cc1ccc(NC(=O)NC(=O)N(C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 4031956 SIIWTVXBYGNONW-UHFFFAOYSA-N 389.477 3.644 0 40 GHAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)C[S@](=O)C3)c1 4224863 NCLBEZNQDRDBHE-NDEPHWFRSA-N 395.484 3.512 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(=O)n(Cc2ccccc2Cl)c1 7574180 BRBWAVNGQASLHX-UHFFFAOYSA-N 396.830 3.574 0 40 GHAB COc1ccc(NC(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)c(OC)c1 9573819 KGQCPKHMDLBCME-UHFFFAOYSA-N 392.415 3.656 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 11612525 PBBGLBQILPFKHE-QGZVFWFLSA-N 392.908 3.912 0 40 GHAB C[C@H](NC(=O)Cc1cc(O)nc(SCc2ccccc2)n1)c1ccccc1 23138004 QGXGRWOWYPLRHB-HNNXBMFYSA-N 379.485 3.894 0 40 GHAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccc(C(F)(F)F)cc2)c1 40097827 IGBMHEQMXAQYHK-OAHLLOKOSA-N 384.354 3.578 0 40 GHAB CCc1ccc(N/C=C(/C(=O)OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 100025827 CHLIDSLGOWNQLG-ATVHPVEESA-N 379.865 3.803 0 40 GHAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C(=O)N1CCOCC1 40104694 CNJNCJHALRLRFX-IEBWSBKVSA-N 387.524 3.885 0 40 GHAB C[C@H]1C(=O)N(Cc2nc3cc(Cl)ccc3n2C)C(=O)N1c1ccc(F)cc1 40116451 XFCGFNIKHQPDCO-NSHDSACASA-N 386.814 3.723 0 40 GHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2ccc(Cl)cc2)c2c(C)cc(C)cc21 100485694 HHCDMDHLPWYYFM-IBGZPJMESA-N 386.879 3.950 0 40 GHAB COc1ccc([C@@H]2Nc3ccccc3-c3nc(=O)c(-c4ccccc4)nn32)cc1 101087074 BIGSEJOSONETMX-OAQYLSRUSA-N 382.423 3.953 0 40 GHAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccccc1 779216 ARNZXTGSVWEBMG-UHFFFAOYSA-N 382.489 3.916 0 40 GHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 2630728 GKTRMAPQLRAYFY-MRXNPFEDSA-N 395.459 3.936 0 40 GHAB C[C@@H]1CCc2c(sc3nc(SCC(=O)NC4CCCCC4)[nH]c(=O)c23)C1 1368053 FVDONLZCDATMCG-LLVKDONJSA-N 391.562 3.650 0 40 GHAB O=C(NC1CCCC1)[C@@H](c1ccco1)N(Cc1ccco1)C(=O)c1ccco1 1382752 GYELYCKFRYIYLY-LJQANCHMSA-N 382.416 3.908 0 40 GHAB COc1ccc(CCNC(=O)COC(=O)c2c(Cl)cccc2Cl)cc1 3371233 GZWQHGXKAVJXKT-UHFFFAOYSA-N 382.243 3.518 0 40 GHAB O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 32747807 CNVGQANOULPZJZ-UHFFFAOYSA-N 397.740 3.814 0 40 GHAB CCOC(=O)c1sc(N[C@H]2OC(=O)c3ccccc32)c(C(=O)OCC)c1C 4384832 ZTHRZXDREFFEMP-HNNXBMFYSA-N 389.429 3.691 0 40 GHAB O=C(Nc1ccccc1OC(F)F)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 102441569 LLTYJMQWTYOKTB-NILVNCKXSA-N 388.418 3.814 0 40 GHAB O=c1c2c(nc(SCc3ccccn3)n1CCc1ccccc1)CCS2 7446783 ZVRXUKWLZAZHJY-UHFFFAOYSA-N 381.526 3.822 0 40 GHAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc(Cl)c1 8412545 ABBMAAZKRHEIJG-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB C[C@H](OC(=O)c1ccc(Br)s1)c1nc2ccccc2c(=O)[nH]1 8757933 GSJZLAXHCRJCSH-QMMMGPOBSA-N 379.235 3.665 0 40 GHAB CCOC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)c1 32900899 JNFKLXDJUCSAMU-PZJWPPBQSA-N 387.451 3.579 0 40 GHAB Cc1nn2c(=O)cc(C(=O)Nc3nc(C(C)C)cs3)[nH]c2c1-c1ccccc1 100780099 QTFFKXSGGIRMPG-UHFFFAOYSA-N 393.472 3.830 0 40 GHAB COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)ccc1O 103158315 PYOYKWGLTCKUAR-JMUQELJHSA-N 381.472 3.909 0 40 GHAB COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2C)c1 641274 ZIQFSAQRCYGJKS-LJQANCHMSA-N 381.501 3.744 0 40 GHAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1 9621728 XZEOFLXWRVVMFW-UHFFFAOYSA-N 382.279 3.884 0 40 GHAB O=C(c1ccncc1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 22592137 ODQKCFMCDAYXDB-UHFFFAOYSA-N 384.789 3.501 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 23023700 DWPKDSZEWLTHGT-PKOBYXMFSA-N 398.528 3.973 0 40 GHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)Cc3c(F)cccc3F)c12 54575227 SDFAEESSZFSEKO-NSHDSACASA-N 384.430 3.793 0 40 GHAB CCc1nn2c(=O)cc(CSc3ccccc3NC(=O)C(C)C)nc2s1 20982959 OVOCWJCPUQCNGS-UHFFFAOYSA-N 388.518 3.600 0 40 GHAB C[C@H](Sc1ncc(-c2ccccc2)n1C1CC1)c1nc(N)nc(N(C)C)n1 12535468 CFHQKFFQOGAKBZ-LBPRGKRZSA-N 381.509 3.572 0 40 GHAB CNC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCCC[C@@H]1C 26472856 SONRTKQEEMOWOJ-GRDNDAEWSA-N 388.537 3.932 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)N(CC)Cc2ccc(Cl)s2)cc1 26859927 PXNBFNBOISPRNS-UHFFFAOYSA-N 380.897 3.579 0 40 GHAB CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1OC 35783802 GFLGVBYICQBKCE-OAQYLSRUSA-N 395.503 3.723 0 40 GHAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(Br)c2)N1 36025430 BCRWILRGPQSYPJ-IAGOWNOFSA-N 385.261 3.707 0 40 GHAB biogenic CNC(=O)c1ccc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2O)cc1 58264802 XLHSVRJCCTUDDC-UHFFFAOYSA-N 388.467 3.615 0 40 GHAB COc1cc(CCN2CCN(C/C=C\c3ccccc3)CC2)cc(OC)c1OC 22859098 ZSVPHOXHJOQHKV-YFHOEESVSA-N 396.531 3.586 0 40 GHAB COc1cccc(NC(=O)CN(Cc2nc(C3CC3)no2)c2ccccc2)c1 58227051 BXCGMQUEMWWJQF-UHFFFAOYSA-N 378.432 3.601 0 40 GHAB CC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)O 2103935 IAIBVCIXXTYFKN-KRWDZBQOSA-N 399.443 3.685 0 40 GHAB biogenic O=C(c1ccccc1)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 27746036 YNKHELLRDQQULO-MRXNPFEDSA-N 398.311 3.823 0 40 GHAB Clc1ccc(OCCCn2c(CN3CCOCC3)nc3ccccc32)cc1 27757745 BSLCGVOUCGTPFP-UHFFFAOYSA-N 385.895 3.991 0 40 GHAB Cc1cccc(C)c1Nc1nnc(SCc2ccccc2Cl)n(N)c1=O 28535572 YMVAMMALCVOZRM-UHFFFAOYSA-N 387.896 3.658 0 40 GHAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCCC2)o1 36392481 KIOKUHOVNBGJLJ-UHFFFAOYSA-N 389.260 3.623 0 40 GHAB Cc1cc(C)c2oc(C(=O)Nc3ccnn3Cc3cccs3)cc(=O)c2c1 28404863 JVHSQEYIWQZFJL-UHFFFAOYSA-N 379.441 3.968 0 40 GHAB COc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1 10970338 FGDRJYBPPIZIFX-UHFFFAOYSA-N 395.484 3.908 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H](C)Oc1ccc(F)cc1 10902828 DWBTYRJSLKPUEQ-KRWDZBQOSA-N 381.451 3.771 0 40 GHAB CC(=O)N1CCN(c2ccc(Nc3ncnc4c3oc3ccccc34)cc2)CC1 2424387 LQNLOXZBIOAZOQ-UHFFFAOYSA-N 387.443 3.788 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 12812487 NEMAGKXOYLMQIJ-MRXNPFEDSA-N 381.476 3.773 0 40 GHAB COc1cc(CNC(=O)CCn2nc(C)cc2C)ccc1OCc1ccccc1 12865866 QYNHODZGNXCSRC-UHFFFAOYSA-N 393.487 3.794 0 40 GHAB O=C(CCn1nnc(-c2cccc(F)c2)n1)Nc1c(Cl)cccc1Cl 12897283 PYWBKAREDIYXKK-UHFFFAOYSA-N 380.210 3.815 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)nc2n1 3467007 VOKMJWIRXXTQAM-UHFFFAOYSA-N 383.521 3.661 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 408706006 SOHNSTMNPLCWIN-HXUWFJFHSA-N 382.460 3.727 0 40 GHAB C[C@H](NCC(=O)Nc1ccccc1N1CCOCC1)c1ccc2ccccc2c1 13041897 KQDXJBKYJICGRD-SFHVURJKSA-N 389.499 3.966 0 40 GHAB Cc1cc(C)cc(OCCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 61192020 SRYFOLIJKAAFRI-UHFFFAOYSA-N 377.488 3.974 0 40 GHAB O=C(N[C@@H](C(=O)O)c1nccs1)OCC1c2ccccc2-c2ccccc21 38528726 WSMJGKBXDVPSJT-QGZVFWFLSA-N 380.425 3.808 0 40 GHAB Cc1cc(C)cc(-c2nnc(S[C@H](C)C(=O)Nc3c(C)nn(C)c3C)o2)c1 18961254 YKBQIIKDAIBJMG-CQSZACIVSA-N 385.493 3.823 0 40 GHAB Cc1ccc(C2=NN(C(=O)CSC3=NCCS3)[C@H](c3ccco3)C2)o1 8935603 QWXLBOPAFJIYQL-ZDUSSCGKSA-N 375.475 3.695 0 40 GHAB Cc1cc(=O)oc2cc3occ(CCNC(=O)c4ccccc4C(=O)O)c3cc12 8991564 CJBAHDJHMQWDMC-UHFFFAOYSA-N 391.379 3.518 0 40 GHAB Cc1cccc(OCc2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)c1 4384010 DFKMACFTTSDVHP-INIZCTEOSA-N 380.429 3.586 0 40 GHAB Cc1nc2c(cc(OCC(=O)NO[C@H]3CCCCO3)c3ccsc32)s1 65500042 KJRQITIRDRNEGN-HNNXBMFYSA-N 378.475 3.773 0 40 GHAB Cc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCCO)cc1 5343744 ZCJHUAWYCFTZTO-OAQYLSRUSA-N 391.471 3.635 0 40 GHAB COc1ccc(/C=C/c2nn3c(Cc4ccc(OC)cc4)nnc3s2)cc1 4538931 AAMKYRBVHFGQRZ-KPKJPENVSA-N 378.457 3.964 0 40 GHAB CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1cccs1 4516439 JGLUAYIUYVKQNC-UHFFFAOYSA-N 387.486 3.773 0 40 GHAB Cc1ccc(C(=O)NCC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1C 14200383 NPJQMHHDPWFJGI-UHFFFAOYSA-N 379.287 3.999 0 40 GHAB C=Cc1ccc(CSc2nc3ccc(Br)cc3c(=O)n2N)cc1 71327684 FCJUSLZHJXJWSN-UHFFFAOYSA-N 388.290 3.808 0 40 GHAB Cn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1F 4816070 YKQYJEDBIKINRC-UHFFFAOYSA-N 399.476 3.962 0 40 GHAB COCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@H]1c1ccc(Cl)cc1 4816551 ZMDJJGUKRXUIOB-OALUTQOASA-N 396.878 3.954 0 40 GHAB Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1Cc1ccccc1 4932001 PUINNHSIFWVCJO-UHFFFAOYSA-N 390.270 3.900 0 40 GHAB COc1cc2c(cc1OC)CN(Cn1nc(-c3ccccc3)[nH]c1=S)CC2 7076525 LEQKTDRUJXXDEN-UHFFFAOYSA-N 382.489 3.641 0 40 GHAB O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(C(=O)[C@@H]1CCCO1)C2 67339241 JCDOPPKZSIKTEU-IBGZPJMESA-N 383.423 3.533 0 40 GHAB O=C(NCc1ccccc1Cl)c1ccc(Cn2cc(Br)cn2)o1 27981015 QXOUMCJTYOVMHL-UHFFFAOYSA-N 394.656 3.870 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSc1ccc(F)c(F)c1 7807001 GULAGTBGAAJUJC-UHFFFAOYSA-N 378.444 3.771 0 40 GHAB CC[C@@H](C)NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 22274099 KBUBXZOPAJWWRO-QGZVFWFLSA-N 388.533 3.920 0 40 GHAB COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 9482060 GOASWZQDIKLDBA-MRXNPFEDSA-N 391.471 3.596 0 40 GHAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1nnc2n1CCC2 84667968 PBTHAKDXMHDKRW-BREXMAIKSA-N 384.789 3.787 0 40 GHAB COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1scnc1C 95962520 AJZMXGCLRSFQCC-HNNXBMFYSA-N 375.425 3.617 0 40 GHAB C[C@](NS(=O)(=O)Cc1ccc(F)cc1F)(c1ccccc1)C(F)(F)F 95944117 KOPMKYKMHDKVOX-HNNXBMFYSA-N 379.350 3.862 0 40 GHAB CC(=O)c1cn(CCC(=O)Nc2ccc(Cn3cncn3)cc2)c2ccccc12 79480639 YLQAQQVIAKQLMX-UHFFFAOYSA-N 387.443 3.513 0 40 GHAB Cc1cc(C)cc(CN2CCC3(CC2)CN(C)C(=O)c2cn(CC4CC4)nc23)c1 306133581 MQELGUMYNUMJNZ-UHFFFAOYSA-N 392.547 3.529 0 40 GHAB Cc1cc(C)c2nc(NC3=NCN(Cc4ccc(Cl)cc4)CN3)nc(C)c2c1 20634445 MYOWSUGFUYRGFC-UHFFFAOYSA-N 394.910 3.997 0 40 GHAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 409139653 CLHNSYCWHBRWGZ-UHFFFAOYSA-N 390.244 3.589 0 40 GHAB CCn1cc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c(=O)c2cc(C)ccc21 22234778 JVEUWTDLOKWVPH-OAHLLOKOSA-N 394.471 3.838 0 40 GHAB Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 21143482 LPZIGJUFPQKWRX-GOSISDBHSA-N 398.528 3.776 0 40 GHAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccccc2C(C)C)cc1 67198662 HSQZWKYPILPYLL-UHFFFAOYSA-N 391.471 3.989 0 40 GHAB COc1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 36635883 OPBZRYCBUJUDNA-AWEZNQCLSA-N 395.242 3.755 0 40 GHAB Cc1nc2ccc3nc(NC(=O)Cn4c(=O)oc5ccccc54)sc3c2s1 36689001 IBYYBSHBKAWGOZ-UHFFFAOYSA-N 396.453 3.761 0 40 GHAB COc1cc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc(OC)c1OC 32870394 QOWMPCNPHMCJLC-UHFFFAOYSA-N 383.404 3.687 0 40 GHAB CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C1=C[C@H]2CC[C@@H](C1)N2C 4256739 LZYMPGNBBKVSQZ-SJORKVTESA-N 388.508 3.705 0 40 GHAB biogenic COc1cc(-c2nc3ccccc3[nH]2)cc(I)c1OC 535362880 UPTIRQYNZRBBPI-UHFFFAOYSA-N 380.185 3.852 0 40 GHAB CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@H](C(=O)OC[C@H](C)O)C1)[C@@H]32 72266867 WCFTYXWKCDJUFP-NCNURKBJSA-N 382.504 3.600 0 40 GHAB in-man Cc1cccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3Cl)c2C)c1C 71327384 PRHQIGLEEVPQLF-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCCc1ccccc1 217638222 HCJPDMRLLLTMBM-UHFFFAOYSA-N 396.468 3.840 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2cncc(Oc3cccnc3C)n2)o1 72384119 MPBKOTUBZHTDLB-MRXNPFEDSA-N 379.420 3.554 0 40 GHAB CS(=O)(=O)c1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 71761673 NGRUTVCCNONWEX-UHFFFAOYSA-N 390.408 3.798 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCC(=O)N(Cc2cccc(F)c2)CC1 72342957 GVGJELMKNOJKSA-UHFFFAOYSA-N 393.462 3.533 0 40 GHAB CC[C@@H](C(=O)NCc1ccccc1Cl)N(c1cccc(C)c1)S(C)(=O)=O 220508524 QGCKKAOGGYXWPA-SFHVURJKSA-N 394.924 3.509 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1Cl 224020823 HDQPXLSMFOSMLY-GFCCVEGCSA-N 396.896 3.678 0 40 GHAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)c1 225590266 ZIKHLBLRYZJNHZ-GOSISDBHSA-N 384.495 3.927 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 224666716 RXNHIEVXMWSIMK-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB CCOC(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224720489 NCHIUQAHKYJMLO-UHFFFAOYSA-N 388.272 3.995 0 40 GHAB COc1ccc([C@@H]2[C@H](C(=O)Nc3cccnc3)c3ccccc3C(=O)N2C)cc1 40287376 XNBIGFDQAOFDGM-NHCUHLMSSA-N 387.439 3.639 0 40 GHAB COc1ccc(/C=C/c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1OC 531750443 PGERQRVFUQIHCS-VQHVLOKHSA-N 398.415 3.950 0 40 GHAB CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 514288509 GSIMZBSQODFSPZ-KBPBESRZSA-N 389.471 3.620 0 40 GHAB biogenic,in-vitro Cc1ccccc1N1C[C@]2(CCN(C(=O)c3cnc4ccccc4c3)C2)CC1=O 96238604 UTGNUCWXPDBYLQ-XMMPIXPASA-N 385.467 3.812 0 40 GHAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccccc1Br)CC3 97993527 KFUPTKHCLQUXND-XFXZXTDPSA-N 397.228 3.802 0 40 GHAB Cc1ccc(-n2nc(NC(=O)[C@@H]3CCCN(C(=O)NCC(C)C)C3)cc2C)cc1 539450768 TYKKTECTLWZZBS-GOSISDBHSA-N 397.523 3.505 0 40 GHAB CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1)S(=O)(=O)CC 260504344 HAYIFGKKILQMSK-QGZVFWFLSA-N 388.533 3.970 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)c(Cl)c1 1212462266 DEFBGBDDASRAKK-GOSISDBHSA-N 375.877 3.814 0 40 GHAB COc1c(C)cnc(Cn2ccn3nc(-c4ccccc4Cl)cc3c2=O)c1C 90610203 JCZFHKCALQSOAY-UHFFFAOYSA-N 394.862 3.885 0 40 GHAB CN1CCNC[C@H](Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)C1 585263241 ROJPMGWDQTVWAH-KRWDZBQOSA-N 379.533 3.642 0 40 GHAB CC(C)(C)CC(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945871 TUNFACUCHUBKDA-IBGZPJMESA-N 387.499 3.834 0 40 GHAB CCCCN(C)C[C@@H]1[C@H](CC)CN(C(=O)Nc2ccc(F)cc2F)[C@@H]1CO 1772594972 LYCADMLJNNJRSP-IDHHARJASA-N 383.483 3.548 0 40 GHAB O=C([C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12)N1CCc2ccccc2C1 1772595555 FPEJFMUDPYZCKS-GPXNEJASSA-N 388.511 3.663 0 40 GHAB Cc1ccccc1OCC(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 5198187 PTKBIPUVJKIFJM-UHFFFAOYSA-N 376.391 3.886 0 40 GHAB CC1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)CC1 5607857 DGBZQDBHPJFWRZ-SFHVURJKSA-N 377.488 3.915 0 40 GHAB CCC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583618 QWESRARTLKPFLO-MRXNPFEDSA-N 386.517 3.747 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2S(=O)(=O)c2ccccc2)on1 19122009 LPBDOBZUJHHQQN-GOSISDBHSA-N 398.488 3.664 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c1 19595054 VQWQHFKXZBLRRA-NRFANRHFSA-N 396.418 3.605 0 40 GHAB CCc1cc2c(=O)n(CC(=O)Nc3cc(C)cc4cccnc34)cnc2s1 19665637 ALRJWHNJKDIRDR-UHFFFAOYSA-N 378.457 3.516 0 40 GHAB COc1cccc(Cn2cc(NC(=O)c3cc(-c4ccc(C)cc4)n[nH]3)cn2)c1 19718246 AMIKQTQBANZCNR-UHFFFAOYSA-N 387.443 3.891 0 40 GHAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC(C(=O)N2CCCC2)CC1 12916046 NUZIFFSYPLDFGO-CYBMUJFWSA-N 398.334 3.655 0 40 GHAB Clc1ccc(O[C@H]2CO[C@]3(CCCN(c4ncnc5[nH]ccc45)C3)C2)cc1 2037843338 BSXCMIPTXGMTPP-OXQOHEQNSA-N 384.867 3.818 0 40 GHAB CC(=O)N[C@@H](Nc1nnc(-c2ccc(C)cc2)s1)C(Cl)(Cl)Cl 4248226 BLQOUUOASSZVOG-NSHDSACASA-N 379.700 3.758 0 40 GHAB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(F)c(F)c3)co2)n1 4377263 WKKCKVHOQFVKGS-UHFFFAOYSA-N 390.367 3.528 0 40 GHAB Cc1ccc(-n2nnc3c(=O)n(Cc4cccc5ccccc45)cnc32)cc1C 5057184 VYECRVNQGXLSHM-UHFFFAOYSA-N 381.439 3.796 0 40 GHAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCCCC1)c1cccc(F)c1 8901375 XSPVVHLBKZVYOT-SFHVURJKSA-N 382.526 3.783 0 40 GHAB Cc1cc(-c2nnc(NC(=O)c3cccc(Oc4ccccc4)c3)o2)n(C)n1 13614700 WAVKTPGHNBXXCK-UHFFFAOYSA-N 375.388 3.823 0 40 GHAB O=C(Nc1ccccc1-c1cn2ccccc2n1)c1cnn(-c2ccccc2)n1 206898030 YKONKHDHNGCZFZ-UHFFFAOYSA-N 380.411 3.834 0 40 GHAB CSc1ccccc1C(=O)Nc1nn(C)c2c1[C@H](c1ccccc1)CC(=O)N2 35597867 IAENUUFTVYPQSV-HNNXBMFYSA-N 392.484 3.868 0 40 GHAB COc1ccc(-c2noc(-c3cn(C)c4ccc(C)cc4c3=O)n2)cc1OC 38487631 RDAQSXPADXAYNM-UHFFFAOYSA-N 377.400 3.581 0 40 GHAB COc1cccc(OCC(=O)N[C@@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)c1 77200139 VSOPQIXBSGCTOA-XLIONFOSSA-N 398.459 3.750 0 40 GHAB O=C1CCc2cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)ccc2N1 40012208 ACCQZSFEFTXECO-UHFFFAOYSA-N 392.455 3.885 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)N2CCN(Cc3cccs3)CC2)n1 40104890 AFSSNWIQNYKVTC-UHFFFAOYSA-N 395.532 3.900 0 40 GHAB CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccccc2C(F)(F)F)CC(=O)N1 20154620 SIVPCHNQMWLUPD-AWEZNQCLSA-N 385.382 3.551 0 40 GHAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc2c(c1)OCCO2 101353132 TWYDKNLGTDZSAL-VFNWGFHPSA-N 382.416 3.626 0 40 GHAB O=C1CCS[C@H]2CCCC[C@@]2(C(=O)NC2CCCCC2)N1Cc1ccco1 17172997 KSTDDNXHTUFING-GHTZIAJQSA-N 390.549 3.875 0 40 GHAB CSc1nc(C)c(CCC(=O)N[C@H](c2cccs2)C2CCCC2)c(=O)[nH]1 32397419 TVJHIAYGWAPGOM-KRWDZBQOSA-N 391.562 3.842 0 40 GHAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nc3c(s2)CCCCC3)CC1 21138262 HQLRJUSCMJXZAX-UHFFFAOYSA-N 379.526 3.998 0 40 GHAB O=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1ccccc1C(F)(F)F 32632504 UCFJMUQUMZZZKP-UHFFFAOYSA-N 393.770 3.931 0 40 GHAB O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1c(Cl)cccc1Cl 3460024 FRAMEIAMOCFUMC-UHFFFAOYSA-N 382.199 3.560 0 40 GHAB CCOC(=O)c1c(NC(=O)COc2ncnc3sccc23)sc(C)c1C 2662297 OXBHRQJFJVJJRL-UHFFFAOYSA-N 391.474 3.564 0 40 GHAB CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2ccc(F)cc2)cc1Cl 6348862 CEYUSYDHELHGGA-UHFFFAOYSA-N 393.798 3.876 0 40 GHAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)c1 6616746 ADHVDKHIYKRVEG-UHFFFAOYSA-N 392.864 3.952 0 40 GHAB CCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OCC 7598559 CXWAGCYSOGLYOQ-UHFFFAOYSA-N 395.459 3.534 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1cccc(Cl)c1 7824498 HUQQPARLQAYSDA-UHFFFAOYSA-N 383.879 3.897 0 40 GHAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc(OC)c1 7939855 AEIWXEPSCYGTEV-UHFFFAOYSA-N 398.459 3.548 0 40 GHAB Cc1cc(COC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)on1 21830049 HDHMEYRIBNQOAC-UHFFFAOYSA-N 396.365 3.597 0 40 GHAB C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)C1 10544057 NVIOCQOGJZGUAS-STQMWFEESA-N 379.353 3.640 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(c2nc3ccccc3s2)CC1 8071546 YTFIAYQKWNTQGV-UHFFFAOYSA-N 393.468 3.610 0 40 GHAB CC(C)(C)c1ccc(OCCNC(=O)c2cccc(N3CCCC3=O)c2)cc1 8157961 BMNGJCYNTLZAPT-UHFFFAOYSA-N 380.488 3.920 0 40 GHAB CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1 687296 GTUFIKDVCAEPMI-UHFFFAOYSA-N 384.480 3.953 0 40 GHAB Cc1ccc(-c2csc3ncnc(SCC(=O)N4CCOCC4)c23)cc1 955553 MLFHYQNIBQVORP-UHFFFAOYSA-N 385.514 3.618 0 40 GHAB C[C@H]1CCc2c(sc3nnn(Cc4ccc(Br)cc4)c(=O)c23)C1 958783 LHXJGKUMHFVZQU-JTQLQIEISA-N 390.306 3.789 0 40 GHAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(C[C@@H]2CCCO2)C4)cc1 54313339 VLUPFUALBGMCBR-KRWDZBQOSA-N 393.439 3.800 0 40 GHAB biogenic CN1CCN(c2ccccc2NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 42712496 OMBFUXRGWVLAJG-UHFFFAOYSA-N 381.524 3.520 0 40 GHAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2cccs2)CC1 23873215 XTVBZNRYXIHMGG-UHFFFAOYSA-N 390.508 3.937 0 40 GHAB CCCCn1cc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c(C)n1 100725846 VMFQWWOJGILXQH-WIYYLYMNSA-N 380.540 3.644 0 40 GHAB Cc1ccnc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)c1 12536649 SXFAAJSJIFQGBO-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB COC(=O)c1ccc(OCc2nc(-c3cccs3)no2)c(Br)c1 24987684 SIAHMWSEZQDEGN-UHFFFAOYSA-N 395.234 3.926 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC(C2CC2)C2CC2)CC1 24918461 FMSIFFLAQPYTPH-UHFFFAOYSA-N 390.911 3.506 0 40 GHAB O=C(COCc1nc2ccccc2s1)N1CCC(c2ccc(O)cc2)CC1 24991033 VXNUQFNBRPIALX-UHFFFAOYSA-N 382.485 3.925 0 40 GHAB C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 24929561 QQWCEPMSDVVAES-TUKZGULFSA-N 390.527 3.951 0 40 GHAB Cc1nc(C)c(C(=O)N[C@H](C)c2cc(O)n3nc(-c4cccs4)cc3n2)s1 100769337 JLWJGDTVTYCIHE-SECBINFHSA-N 399.501 3.728 0 40 GHAB O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 106758994 UVKOTZXHBPXPJP-MPGHIAIKSA-N 375.900 3.842 0 40 GHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(OC)cc4)ccc1c23 1463015 HAPAOBSXLVJEMG-UHFFFAOYSA-N 382.441 3.629 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2C)cc1OC 1447519 XHQYKMJKORDQIW-UHFFFAOYSA-N 387.436 3.613 0 40 GHAB Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCCc3cnn(C)c3)c2c1 107142744 ACRZZOOEGRQCJU-UHFFFAOYSA-N 385.471 3.701 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1 100403460 OIGPFCBNKUJPEC-MDYRTPRTSA-N 384.501 3.714 0 40 GHAB COc1ccccc1N1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)CC1 57985231 FDYDCYFOSGDGPS-UHFFFAOYSA-N 388.515 3.692 0 40 GHAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20493126 DIHWHOMOHBNVRO-UHFFFAOYSA-N 387.288 3.637 0 40 GHAB CCOc1ncccc1C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 3393514 MRFJPOHFUBDEKR-UHFFFAOYSA-N 391.427 3.994 0 40 GHAB Cc1cccc(C)c1NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2 3310514 ARZOVIHIURDWDK-UHFFFAOYSA-N 383.444 3.578 0 40 GHAB Cn1cc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cn1 58267997 KPGHIUCKENIYMA-UHFFFAOYSA-N 375.885 3.871 0 40 GHAB O=C(CCC(=O)c1cccs1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 58218791 YXMICGXKHVWTFQ-ZDUSSCGKSA-N 378.444 3.632 0 40 GHAB CCc1ccccc1N(CC(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O 20236842 WJUAZFJOCRFUMB-UHFFFAOYSA-N 380.897 3.616 0 40 GHAB CCCCNC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 2291077 RTENJZWWKIDWOY-UHFFFAOYSA-N 377.423 3.825 0 40 GHAB COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cccc(O)c1 2341235 FEGPYENDHQCFAT-GOSISDBHSA-N 399.830 3.652 0 40 GHAB CC(C)c1ccc(-c2nnn(CC(=O)N(C)Cc3ccc(Cl)s3)n2)cc1 12755533 DGNPHHLVIRYHGH-UHFFFAOYSA-N 389.912 3.837 0 40 GHAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc(C(F)(F)F)cc1 12759974 JUHNMUJERZSKJB-ACCUITESSA-N 398.406 3.624 0 40 GHAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCC(C)(C)N1CCOCC1 12899184 QSJJWBLUZVQWFE-UHFFFAOYSA-N 393.940 3.613 0 40 GHAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)CCc1ccccc1 12884861 BLTWIKOAYCILGZ-UHFFFAOYSA-N 378.394 3.570 0 40 GHAB CN1CCN(c2ccc(NC(=O)COc3ccccc3Cl)cc2Cl)CC1 408628811 BETIWVVOFVFURW-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1OC 8780448 QNOHFYGSZJEDLE-VFNWGFHPSA-N 382.460 3.839 0 40 GHAB COc1ccc(C(=O)N2CN(C[C@H]3CCCO3)Cc3c2sc(C)c3C)cc1 19880832 VQZUIAUFUBZGFW-GOSISDBHSA-N 386.517 3.972 0 40 GHAB COc1cc2oc(=O)c(CC(=O)Nc3ccc4cc[nH]c4c3)c(C)c2cc1OC 13691814 REUGXADHENIYJN-UHFFFAOYSA-N 392.411 3.781 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c1 6144580 LQUJDOQDBCVUME-IRXDYDNUSA-N 386.517 3.914 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2C)c1 5121357 PCLZUMDUGSKWLJ-UHFFFAOYSA-N 386.267 3.576 0 40 GHAB Cc1ccc(N2C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 4393680 NLZDKFGNWVQPCC-ZWKOTPCHSA-N 390.892 3.569 0 40 GHAB Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)n1 6238619 DBGFDTJLXXXHBA-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB COc1ccc([C@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)N(C)C)cc1 5290421 MYTDKCYIMXIGCF-MZYRPWKCSA-N 377.828 3.684 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Br)cc3)n2)cc1 5396605 NQKUQETUDYYIJK-UHFFFAOYSA-N 398.260 3.620 0 40 GHAB COc1ccc2c(c1)CCc1cc(C(=O)O[C@H](C)C(=O)N3CCCC3)sc1-2 5435690 MCIKJMAZSDICTC-CYBMUJFWSA-N 385.485 3.690 0 40 GHAB COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1cc(C)ccc1C)CC2 5423580 QUMGNSPSZVYJGS-HNNXBMFYSA-N 375.490 3.629 0 40 GHAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3ccc(C)cc3C)ccc21 5429163 AUAMYABVOBQGPK-UHFFFAOYSA-N 389.542 3.991 0 40 GHAB CCOC(=O)[C@H](Sc1cc(C)nc2c(-c3ccccc3)c(C)nn12)C(C)=O 5576443 DBSINLIINXCFBD-GOSISDBHSA-N 383.473 3.626 0 40 GHAB O=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl 24522417 BQKSEAUDQMFSEF-UHFFFAOYSA-N 377.227 3.906 0 40 GHAB CCOc1ccc(Br)cc1/C=C1/NC(=O)N(c2ccccc2)C1=O 4702375 WSLDXROCGKFNHG-RVDMUPIBSA-N 387.233 3.945 0 40 GHAB CCCNC(=O)[C@H](C)Nc1nc(-c2cccnc2)nc2sc3c(c12)CCC3 9154080 BLJKHEMLYWTZCA-LBPRGKRZSA-N 381.505 3.569 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N(C)c1ccccc1 6849129 CNMVVSHXXBZSEA-UHFFFAOYSA-N 380.275 3.527 0 40 GHAB CN(Cc1ccc(Cl)s1)C(=O)CN1CCO[C@H](c2ccccc2F)C1 66846721 OKTFVABSTYPKQM-INIZCTEOSA-N 382.888 3.573 0 40 GHAB Cc1ccccc1[C@H]1CN(C(=O)Nc2cccc(-n3ccnn3)c2)[C@H](C)CO1 96013217 ZGRRDPVAGMFMHA-OXQOHEQNSA-N 377.448 3.570 0 40 GHAB CN(C)C(=O)[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccccc1 7799988 YTZMHTGEXMTNNK-QGZVFWFLSA-N 379.489 3.597 0 40 GHAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cccc(F)c1 7729028 FQSCMLRHYYVPLO-UHFFFAOYSA-N 385.342 3.831 0 40 GHAB O=C(COC(=O)C1CCC1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 7735775 QWDKSORBVBXDQU-UHFFFAOYSA-N 375.428 3.821 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1Br 7706142 SWAFABOCONQZKQ-ZDUSSCGKSA-N 385.265 3.863 0 40 GHAB Cc1nc(-c2cccs2)sc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1 9376273 JFMBBTNKOZWWDL-UHFFFAOYSA-N 393.440 3.827 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1n[nH]c(=O)n1Cc1ccccc1 16803093 HRIVXLFDRNSVCS-AWEZNQCLSA-N 392.484 3.773 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(F)c(F)c1 8310309 PYPHHFACBOGJHP-GOSISDBHSA-N 388.414 3.902 0 40 GHAB O=C(Cc1ccc2ccccc2c1)NCC(=O)Nc1ccccc1Br 8315167 IHEJIHWGHXADQK-UHFFFAOYSA-N 397.272 3.900 0 40 GHAB CC(C)n1cnc([C@@H]2CN(Cc3ccsc3)C[C@]23CCN(CC2CC2)C3=O)c1 306139065 SOJBMFGFNBFBSR-SIKLNZKXSA-N 398.576 3.754 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20176346 JEWRZHHUFNGKHY-UHFFFAOYSA-N 396.468 3.964 0 40 GHAB CC(C)COC(=O)N1CCC(N[C@H](C)c2nc(-c3cccc(F)c3)no2)CC1 97102671 YRWPLQLAISXWCL-CQSZACIVSA-N 390.459 3.783 0 40 GHAB Cc1cccc(OC2CCN(C(=O)C3CCN(Cc4ccccc4)CC3)CC2)n1 95464891 AJIGKEJQNASDFW-UHFFFAOYSA-N 393.531 3.672 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1 408681890 VEZQDCLASWPNMK-CLNPQZTCSA-N 378.516 3.928 0 40 GHAB Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)nc2n1 89700933 VZKYSJNNSJMERI-UONOGXRCSA-N 375.259 3.764 0 40 GHAB Cn1ncc(C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)c1Cc1ccccc1 1533005097 VMPBTUQOIQTSPB-INIZCTEOSA-N 385.389 3.846 0 40 GHAB C[C@H](NC(=O)c1ncsc1Nc1ccccc1)c1ccc(NC(N)=O)cc1 1544043824 LCPMUUJCASWNHY-LBPRGKRZSA-N 381.461 3.868 0 40 GHAB CC(C)c1noc(COC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)n1 36692741 ZEWRZAJCUKPMFB-IRXDYDNUSA-N 397.475 3.632 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2cncc(Oc3ccc(F)cc3)n2)o1 72384124 RRVBWZIGXWRQBY-KRWDZBQOSA-N 382.395 3.990 0 40 GHAB CCN(CC)C(=O)CN1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72348765 ZZVZVEMVEHQRJS-LJQANCHMSA-N 383.511 3.859 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 32740971 WIIBNRAGJJVVLQ-AWEZNQCLSA-N 375.494 3.654 0 40 GHAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 72377128 ZOIXZUPCNFYUKL-INIZCTEOSA-N 397.479 3.997 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 225008705 FOVDSKMNQBHWLF-MOPGFXCFSA-N 382.504 3.706 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1F 223544241 UCFDQRADTZMMMS-MRXNPFEDSA-N 388.508 3.612 0 40 GHAB Cc1nnc(C2CCN(CC(=O)Nc3cccc(Cl)c3Cl)CC2)s1 49365843 RAHYDPWSVLJOOO-UHFFFAOYSA-N 385.320 3.971 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 220139781 YGEQOKJBYCDESR-ROUUACIJSA-N 388.533 3.644 0 40 GHAB COc1ccc(NC(=S)NCc2ccc(OC(C)C)c(OC)c2)c(OC)c1 225530593 ACFBTYXDSYGQBO-UHFFFAOYSA-N 390.505 3.986 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 223238779 ZHQZTCYOCAQKLE-GOSISDBHSA-N 376.859 3.575 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)cc1C(C)C 224030240 SDTSAQMGAHYNPY-UHFFFAOYSA-N 377.506 3.793 0 40 GHAB Cc1nc([C@H]2CCN(C(=O)Nc3ccccc3N3CCc4ccccc43)C2)n[nH]1 583488904 TWAUIKHUJBCWED-KRWDZBQOSA-N 388.475 3.829 0 40 GHAB COc1cccc(N[C@H]2COC3(CCN(C(=O)c4ccccc4F)CC3)C2)c1 96221450 OAOURXMMJDVBKR-QGZVFWFLSA-N 384.451 3.710 0 40 GHAB CN(C(=O)CCN[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1 96004751 XXWRUWGTPKPTDN-OEMFJLHTSA-N 391.559 3.930 0 40 GHAB CC(C)N(CC(=O)N1CCCCCC1)C(=O)c1cc2c(F)ccc(F)c2[nH]1 585082665 BTFOSEJXZPRZIJ-UHFFFAOYSA-N 377.435 3.699 0 40 GHAB Cc1cc(-c2nc(C)c[nH]2)nc(CC2CCN(Cc3scnc3C)CC2)n1 257311836 ULEVETHQYDBNSE-UHFFFAOYSA-N 382.537 3.703 0 40 GHAB CCCCOc1ccccc1C=c1sc2nc(-c3ccc(F)cc3)nn2c1=O 254760499 ZFYOUBGFYUCJFH-UHFFFAOYSA-N 395.459 3.684 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)C(C)C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 260905658 RKVRRQDSGZSJDK-ABAIWWIYSA-N 395.352 3.699 0 40 GHAB COc1ccccc1[C@H](CNC(=O)c1cc(Br)ccc1F)N(C)C 42670282 JQJZDYBANSWXPF-INIZCTEOSA-N 395.272 3.630 0 40 GHAB Cc1ccc(-c2ncc(C(=O)N=c3ccn(Cc4ccncc4)[nH]3)s2)c(C)c1 623331641 HORNIAQQIFFKBQ-UHFFFAOYSA-N 389.484 3.741 0 40 GHAB CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N2CCCC3(CC2)CC3)c1 626464580 SOZCSDCNZIPKEX-MRXNPFEDSA-N 393.553 3.703 0 40 GHAB O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@H]1CCn2ccnc2C1 655254076 YPPQHJIWBSUOAN-AWEZNQCLSA-N 393.409 3.582 0 40 GHAB O=C(c1cc2c(s1)CCC2)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 575403317 HSQAZNIHERLVCB-INIZCTEOSA-N 386.542 3.549 0 40 GHAB O[C@@H](c1cccnc1)c1ccccc1N1CCN(Cc2ccc(F)cc2F)CC1 72340660 LQWQCQNHLPINTG-QHCPKHFHSA-N 395.453 3.764 0 40 GHAB COCCCn1c(SC[C@H]2CCCOC2)nc2cc(Cl)ccc2c1=O 79109730 MVYLKFYLDCSXNS-ZDUSSCGKSA-N 382.913 3.605 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2)c(C)c1 5598788 NRLBJYHVTZIVJH-UHFFFAOYSA-N 387.242 3.709 0 40 GHAB CC(C)(C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 5837781 AEWLKRYYEKOJEW-UHFFFAOYSA-N 386.945 3.578 0 40 GHAB CC[C@@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1ccc(OC)cc1 11238028 JUEKRGCDHGHZFY-LJQANCHMSA-N 395.459 3.954 0 40 GHAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)[C@H](C)c3ccccc3)C2)on1 12118423 TVIDWDJYRHWQHB-AEFFLSMTSA-N 376.460 3.950 0 40 GHAB CN(CCCN1CCCCC1)C(=O)c1ccc2c(c1)nnn2C1CCCCC1 12206126 ZRFYXPZDSFBKTG-UHFFFAOYSA-N 383.540 3.885 0 40 GHAB COc1ccc([C@H]2CN(Cc3ccccc3OC)[C@@H]3CCCN(C(C)=O)[C@H]23)cc1 19017776 KDMUSPSLVFZBIM-CQOQZXRMSA-N 394.515 3.683 0 40 GHAB Cc1nn(CC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)c(C)c1C 19556498 KZFAKZUDCXXNIW-CQOQZXRMSA-N 394.563 3.677 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CC[C@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19704508 IHMTUUNQKUUJIF-INIZCTEOSA-N 397.425 3.826 0 40 GHAB CCc1nc2ccccc2n1[C@@H](C)C(=O)N1CCC(Cn2ccnc2C)CC1 19718449 RZDWVXOGOHZJHF-INIZCTEOSA-N 379.508 3.603 0 40 GHAB Cc1cc(C)nc(N2CCC(CC(=O)N(C)C[C@@H](C)c3ccccc3)CC2)n1 19748796 OOMBPVZLUOBTAH-QGZVFWFLSA-N 380.536 3.962 0 40 GHAB COc1ccc(CCNC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1 169890456 PBFHDLAZUUHABV-UHFFFAOYSA-N 385.851 3.690 0 40 GHAB CCOc1ccc(NC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 206790022 BAKRBSXOFOFJGB-HNNXBMFYSA-N 394.397 3.900 0 40 GHAB C[C@H](Cc1ccccn1)N(C)C(=O)CCn1c(C(F)(F)F)cc2cccnc21 12220806 NZXNCYLOMZGGLU-CQSZACIVSA-N 390.409 3.930 0 40 GHAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N1CCCSc3ccccc31)C2=O 25129299 RQWRIYTWDPLZEQ-UHFFFAOYSA-N 380.469 3.510 0 40 GHAB CC(=O)NCCc1ccc(-c2csc(Cc3csc(C)n3)n2)cc1F 30447144 HIHAYSVTEGRJGH-UHFFFAOYSA-N 375.494 3.984 0 40 GHAB COCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2C)oc2ccccc12 33186630 DQZVNVNGJLVDJT-UHFFFAOYSA-N 380.444 3.977 0 40 GHAB CN(Cc1ccccc1)C(=O)C[C@@H]1OC[C@H]2CN(CC3CCCCC3)CC[C@@H]12 1565552495 XINVTONZJFSJQN-ZLNRFVROSA-N 384.564 3.952 0 40 GHAB COc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccnn3C)sc2c1 13655642 YIWACCIAKFBKJX-UHFFFAOYSA-N 378.457 3.885 0 40 GHAB Cc1ccc(NC(=O)CSc2ccc(NC(=O)C(C)C)nn2)cc1Cl 13702190 VDXGTJOWQYFUPR-UHFFFAOYSA-N 378.885 3.764 0 40 GHAB Cc1cccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c1 15391288 RCJZOSITKRUIEA-INIZCTEOSA-N 378.519 3.629 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 2055819415 LCDLAYMEDPZZIQ-UHFFFAOYSA-N 383.879 3.532 0 40 GHAB COc1cc(CNC(=O)c2cc(-c3ccc(F)cc3)c[nH]2)cc(OC)c1OC 42384362 NPIOUYMYTIFMSZ-UHFFFAOYSA-N 384.407 3.777 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCC1CCN(Cc2ccsc2)CC1 43971889 SFPYCLPZANSLMT-DUXPYHPUSA-N 384.501 3.518 0 40 GHAB O=C(NC[C@@H](c1ccco1)n1cccn1)c1cc(Br)ccc1Cl 575614235 QCJJGQZKYYKNOO-AWEZNQCLSA-N 394.656 3.911 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccccc2Cl)c2c(C)cc(C)cc21 9319498 QOQIDCPGBLRUID-NRFANRHFSA-N 387.863 3.549 0 40 GHAB Cn1nc(C2CC2)cc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19288845 ZUOLYRZAYXTENM-DWLFOUALSA-N 396.510 3.577 0 40 GHAB CC(C)c1cccc(N2C[C@H](C(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2=O)c1 32759278 XRZCXFPBMWAHIK-GOSISDBHSA-N 393.487 3.503 0 40 GHAB CN(C)C(=O)COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)cc1 40104843 ZZBYHMJEQPYCTL-QZTJIDSGSA-N 375.513 3.880 0 40 GHAB COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2ccc(F)cc2)cc1 32095316 MNIZCAFXCOSWFZ-QGZVFWFLSA-N 394.406 3.528 0 40 GHAB COc1ccccc1N1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)CC1 20745205 ZZDBJRDRKUCNTB-HXUWFJFHSA-N 399.878 3.778 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CCc3c(C)nc4ncnn4c3C)n2)s1 29311410 PXKFPIMHRHWUAV-UHFFFAOYSA-N 398.517 3.806 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2c[nH]c3ccccc3c2=O)c1 46017685 CVFFJGUDGJYKNH-IBGZPJMESA-N 378.428 3.523 0 40 GHAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ccc2c(c1)NC(=O)CS2 29772794 KGAHWTPQFFVRKQ-UHFFFAOYSA-N 399.863 3.526 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)c3ccc4c(c3)OCCO4)c(C)c2c1 2616846 FNAIHHDARUKRLP-UHFFFAOYSA-N 382.368 3.561 0 40 GHAB aggregator O=C(CSc1nnc(Cn2cnc3ccccc32)o1)Nc1ccc(Cl)cc1 873588 PSVJQVVFJLLIGB-UHFFFAOYSA-N 399.863 3.852 0 40 GHAB COc1ccc(Cn2c(C3CC3)nc3ccc(NC(=O)C4CC4)cc3c2=O)cc1 1363112 FUQIDMBYRBVIOB-UHFFFAOYSA-N 389.455 3.679 0 40 GHAB Cc1nc(NC(=O)c2ccncc2)sc1C(=O)Nc1ccc2c(c1)CCC2 1379080 HVGILQZZDHVPMO-UHFFFAOYSA-N 378.457 3.840 0 40 GHAB Cc1ccccc1NC(=O)[C@@H]1C(=O)N[C@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 4029868 SJGLYUNTUZHSCL-NNHNJENNSA-N 376.456 3.742 0 40 GHAB biogenic O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(Cl)cccc2s1 4348046 UCMWPAOFNZQLNM-UHFFFAOYSA-N 380.878 3.752 0 40 GHAB CC(C)(C)n1nnnc1[C@@H](c1ccccn1)N1CCC(Cc2ccccc2)CC1 4618589 BDFCRHDZIPSASK-OAQYLSRUSA-N 390.535 3.867 0 40 GHAB C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc2c(c1)NC(=O)CO2 32815079 QHPXRSXVGPPAFO-NSHDSACASA-N 399.497 3.622 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 4725840 CEPJBEGWTLDWBV-UGFPPAMCSA-N 376.522 3.528 0 40 GHAB COc1ccccc1CC(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 32832211 NHQLMOOFCYHMAO-UHFFFAOYSA-N 378.428 3.859 0 40 GHAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(N2CCCC2=O)cc1 7448138 IGSLTKARRGQGJU-UHFFFAOYSA-N 391.515 3.729 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 7872032 AFTMASOUJIWXEU-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB COC(=O)c1cccc(NC(=O)c2cccc(NC(=O)Cc3ccccc3)c2)c1 8471383 XYXYKTOBTIQJFW-UHFFFAOYSA-N 388.423 3.907 0 40 GHAB C[C@H](C(=O)NCCc1ccc(F)cc1)N(C)CCOc1ccc(Cl)cc1 8532436 GIFPENRIQYBZAL-OAHLLOKOSA-N 378.875 3.537 0 40 GHAB COc1ccc(-c2nnc(SCCCOc3ccc(C=O)cc3)n2C)cc1 8731729 NOXIDSAMMOPVQM-UHFFFAOYSA-N 383.473 3.864 0 40 GHAB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)C(C)(C)C)c1 56272515 GOJTYLFUAHDVLC-IBGZPJMESA-N 396.487 3.575 0 40 GHAB COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O 627680 JAMCNYIBSTYVKI-UHFFFAOYSA-N 390.395 3.898 0 40 GHAB CSc1ccc(CN(C)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 22436676 GTOYZCSAAIYMTK-UHFFFAOYSA-N 399.560 3.582 0 40 GHAB Cc1nn(C[C@H](C)c2nc3c4ccccc4ncn3n2)c(C)c1Br 2806451 APBWEADHRDDPPI-JTQLQIEISA-N 385.269 3.657 0 40 GHAB C[C@@H](c1ccccc1)N(C)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 22981588 QIQIKXVXKDWCSU-LBPRGKRZSA-N 390.270 3.923 0 40 GHAB COc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1OC 24864519 XBLRUAZMRFTYAD-NRFANRHFSA-N 385.460 3.992 0 40 GHAB CC(C)c1cccc(O[C@@H](C(=O)N2CCC(C(N)=O)CC2)c2ccccc2)c1 107101570 ZGYTZLNDCVDZLP-OAQYLSRUSA-N 380.488 3.654 0 40 GHAB Cc1ccc2c(C)nc(Nc3nc(CSc4ccccn4)cc(=O)[nH]3)nc2c1 17879271 QNNZGZJYRPTYKA-UHFFFAOYSA-N 390.472 3.761 0 40 GHAB CC(C)[C@@H](NCc1ccccc1F)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769445 VKBOJYGVADTPBM-JOCHJYFZSA-N 398.482 3.955 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)NCCc1ccc(C(F)(F)F)cc1 26520629 RIEZVBIVAXKUQI-UHFFFAOYSA-N 394.393 3.861 0 40 GHAB O=C(NC1CCCCCC1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3292889 KKUQSRPJAKZXIL-UHFFFAOYSA-N 375.472 3.897 0 40 GHAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 20139915 WWKVORDRSPNWKS-NRFANRHFSA-N 396.583 3.858 0 40 GHAB CC(C)[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 58017737 NAAILAPHVKCXCD-HNAYVOBHSA-N 394.899 3.626 0 40 GHAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(OC[C@H]2CCCO2)cc1 3366588 VWBNOSNODFZDJS-QGZVFWFLSA-N 379.412 3.765 0 40 GHAB C[C@H](NC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1Cl 36385885 AFEGMHVVRFRZAW-JKSUJKDBSA-N 397.910 3.791 0 40 GHAB CC(C)c1ccccc1OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 10776447 JUCGSSGPMMRLPO-UHFFFAOYSA-N 380.488 3.610 0 40 GHAB Cc1cc(C(=O)CSc2nnnn2C(C)(C)C)c(C)n1Cc1ccccc1 12781631 ZJKARSHPCKIKTP-UHFFFAOYSA-N 383.521 3.870 0 40 GHAB CN(C)[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1Cl 28751894 UUKGJIIULQOQDL-GFCCVEGCSA-N 384.793 3.511 0 40 GHAB O=C(/C=C/c1ccccc1OC(F)F)Nc1cc2c(cc1Cl)NC(=O)CO2 36752400 AHLYIMVABFJYSA-AATRIKPKSA-N 394.761 3.924 0 40 GHAB COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1OC 20143239 SFFJWVWQFKKHBH-UHFFFAOYSA-N 383.400 3.717 0 40 GHAB O=C(CN1CC=C(c2c[nH]c3ccccc23)CC1)Nc1ccc2c(c1)OCO2 12853898 CDERYVGNSZINPX-UHFFFAOYSA-N 375.428 3.624 0 40 GHAB COc1ccc([C@H]2CCCCCN2Cc2nn3c(=O)cc(C)nc3s2)cc1 12807022 VYMKAGKJBLLDRR-QGZVFWFLSA-N 384.505 3.585 0 40 GHAB O=C(CCCNC(=O)NC1CCCCC1)NCc1cccc(C(F)(F)F)c1 12897207 ODXLWUJSMVFVLZ-UHFFFAOYSA-N 385.430 3.734 0 40 GHAB COC(=O)c1ccc(C(=S)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 3419269 ZHYOBNNDZMDWIZ-FQEVSTJZSA-N 398.528 3.584 0 40 GHAB CN(C)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)cc1 7782558 IMSMESLGMPKDAN-LJQANCHMSA-N 393.512 3.794 0 40 GHAB Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)OCO3)c(C)n1Cc1ccco1 7781950 IULMSSYMCKAPJT-OAHLLOKOSA-N 395.411 3.903 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1 3501422 LEOHSYPDDVQLHF-ZDUSSCGKSA-N 396.472 3.813 0 40 GHAB CC(C)c1cccc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)c1 12946764 YBJKZGJINYMLOV-IBGZPJMESA-N 399.516 3.512 0 40 GHAB Cc1cc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)ccc1F 12923410 XTUXHEZYSYVQKL-QFIPXVFZSA-N 390.458 3.792 0 40 GHAB COC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccccc1Cl 12950540 BDWIWQFLEVHQSJ-AWEZNQCLSA-N 399.855 3.783 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 7882496 BNAWQLUWOWHHKJ-INIZCTEOSA-N 390.439 3.849 0 40 GHAB O=C(O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 408637757 BAPAZCXBBZCDPZ-NSHDSACASA-N 393.226 3.683 0 40 GHAB CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1C 39477104 GQBXYAPEVRKDDU-UHFFFAOYSA-N 393.439 3.825 0 40 GHAB COCCCn1c(N)c(C(=O)Nc2ccc(C)cc2)c2nc3ccccc3nc21 5100410 BWJACPKICVFVBZ-UHFFFAOYSA-N 389.459 3.764 0 40 GHAB COc1cc([C@@H]2C[C@H](NC(C)=O)C[C@H](CCc3ccccc3)O2)cc2c1OCO2 65374277 ZFIPKPCDRFDDTI-AABGKKOBSA-N 397.471 3.782 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)o2)c(OC)c1 5392018 QDGOFRMUJLAIAA-UHFFFAOYSA-N 389.408 3.624 0 40 GHAB CCn1nc(NS(=O)(=O)c2ccc(C(C)=O)cc2)c2cc3ccccc3nc21 5352435 JAAWAGJUZFIYDI-UHFFFAOYSA-N 394.456 3.608 0 40 GHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1CCSc2ccc(F)cc21 14230024 ZYSYXOJIEBSPAZ-DYVFJYSZSA-N 388.489 3.982 0 40 GHAB Cc1ccc(Nc2nc(N3CCOCC3)nc3c2cnn3-c2ccccc2)cc1 5451154 UOTRCOZOXNCJLZ-UHFFFAOYSA-N 386.459 3.704 0 40 GHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2nn(-c3ccccc3)cc2OC)cc1 6539574 SUNLZGYNKUSIAS-OAHLLOKOSA-N 394.427 3.708 0 40 GHAB CC(C)[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)nc1)c1ccc(Cl)cc1 14520443 SWMSEDBIKSRERG-FQEVSTJZSA-N 386.927 3.865 0 40 GHAB CCCN(CC)C(=O)c1nc([C@@H]2CCCN2Cc2ccccn2)n2ccccc12 306124709 BXHJIOYNRKIQQR-FQEVSTJZSA-N 391.519 3.939 0 40 GHAB O=C(NCc1ccco1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 5773390 BISKIRQBTQCJCW-QFIPXVFZSA-N 392.480 3.984 0 40 GHAB CCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1 6810475 QQAWNEHOXQIBBR-UHFFFAOYSA-N 396.925 3.534 0 40 GHAB COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)ccc1O 8738240 YPEWRPKZWXTFJK-HXUWFJFHSA-N 393.443 3.991 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)NCc2nc(Cc3ccccc3)no2)c(C)c1C 84008107 BEJYCBBUHRDXFB-UHFFFAOYSA-N 399.516 3.681 0 40 GHAB Cc1cc(C)c2cc(C(=O)OCC(=O)N3CCC[C@@H](C(F)(F)F)C3)[nH]c2c1 84083258 RZYIZPDTKVNZMN-CYBMUJFWSA-N 382.382 3.742 0 40 GHAB COc1ccc(CNc2nnc(SCC(=O)N(C(C)C)C(C)C)s2)cc1 8942663 ZEWMPFXTGJFIKT-UHFFFAOYSA-N 394.566 3.896 0 40 GHAB CC(C)CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9421118 WWIVVDIYTSEGQN-UONOGXRCSA-N 392.935 3.554 0 40 GHAB COc1cccc(NC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)c1 22606356 CAQNOSFSIZITKO-UHFFFAOYSA-N 398.488 3.761 0 40 GHAB COc1cc(/C=C2/N=C(c3ccc(OC(C)C)cc3)OC2=O)cc(OC)c1OC 96635155 TWVLEYWASXNDPT-LICLKQGHSA-N 397.427 3.844 0 40 GHAB O=c1c(Cl)c(NC[C@@H]2Cc3ccccc3O2)cnn1-c1ccc(F)cc1F 84581777 FQBDWKQIWLSSBX-ZDUSSCGKSA-N 389.789 3.580 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3ccc(N(C)C)nc3)sc2C)cc1OC 95957115 ANBSDHSPIZWORP-UHFFFAOYSA-N 398.488 3.849 0 40 GHAB COC(=O)Nc1cc(C(=O)Nc2cc(CN(C)C)ccn2)cc(C(F)(F)F)c1 95966923 QTNVUELIRXWDBO-UHFFFAOYSA-N 396.369 3.593 0 40 GHAB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1ccc(Br)cn1 28234734 USYXCZOEDTYDBP-QMMMGPOBSA-N 391.191 3.643 0 40 GHAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 175956630 YQPSFKOBDRGUTN-DYVFJYSZSA-N 395.908 3.778 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1CCC[C@H](OC)C1 36719370 PLPXYYGEVCSCJQ-QRFRQXIXSA-N 397.519 3.639 0 40 GHAB Cc1ccc(S(=O)(=O)/N=c2\sc(C)c(-c3ccc(F)cc3)n2C)cc1 409204712 IPZKKJMCFGVVMY-ZZEZOPTASA-N 376.478 3.799 0 40 GHAB C[C@@H]1O[C@H](C)[C@@H](NCc2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)[C@H]1C 528759076 SKWCQOLKLIHBGM-JKCQUFRZSA-N 387.480 3.692 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](Br)C[C@H]1C(=O)OCc1ccccc1 34383006 BZRCQFJSGVBVKN-KBPBESRZSA-N 384.270 3.503 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)NCCC(=O)N1CCCc2ccccc21 40122536 HUYQPEOBRGEJNJ-UHFFFAOYSA-N 375.472 3.586 0 40 GHAB COc1ccc(C2=CCN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 40119681 ZCCSHFFNZMLWNW-UHFFFAOYSA-N 397.471 3.579 0 40 GHAB O=C(CCc1ccccc1)NC1CCN(CC(=O)c2c[nH]c3ccccc23)CC1 48366997 ASVKQGNPTYFROC-UHFFFAOYSA-N 389.499 3.564 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 44883217 BOBLZQYGPATSBR-ZDUSSCGKSA-N 380.897 3.978 0 40 GHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CC2)c1C 223044052 GXMHCWNRHGKTHH-UXHICEINSA-N 384.549 3.844 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccccc2F)CC1 225007218 BGAHLUIBAYBLGN-UHFFFAOYSA-N 397.494 3.513 0 40 GHAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccc(OC)cc2)c1 225267101 JQIWLDQPOCXYAT-AWEZNQCLSA-N 388.489 3.626 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222492825 XBALJTMVWSSMHS-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB O=C(NC[C@H]1CCCO1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078863 RTGAICQBJAIJCU-LJQANCHMSA-N 398.890 3.842 0 40 GHAB COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344295 CIOHGOMOEGKMHB-MCIONIFRSA-N 376.305 3.508 0 40 GHAB CCOc1ccc(N([C@@H](C)C(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1 223707076 PWGRTBDICIGTCH-HNNXBMFYSA-N 398.569 3.571 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccc(Cl)cc1 223645438 OIOGQXUOFKNJPF-UHFFFAOYSA-N 397.909 3.803 0 40 GHAB CC(C)C[C@@H]1N[C@H](C(=O)N2CCOCC2)Cc2cn(CC3CC3)c3cccc1c23 49171552 YWHLQOUBSGIMLE-SFTDATJTSA-N 395.547 3.512 0 40 GHAB biogenic,in-vitro Cc1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1Cl 222653175 HHQRQSXCAVGSHR-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1 574904189 BKTMGPFZJLUSIM-FQEVSTJZSA-N 388.471 3.752 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220451989 YUMSUDRFCUWAKR-CYBMUJFWSA-N 396.459 3.629 0 40 GHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccco2)cc1 225395693 XCXMFSLQLBITNL-HKWRFOASSA-N 378.428 3.701 0 40 GHAB COc1cc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(C)C)ccc1OC(C)C 95473075 MIGBLYYEESSBMA-KRWDZBQOSA-N 391.493 3.977 0 40 GHAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(Cc3ncccc3F)CC2)n1 257312647 UOYZFADIQLKJOX-UHFFFAOYSA-N 381.455 3.971 0 40 GHAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](Cc2cc(-c3ncc[nH]3)ncn2)C1 257305627 SQVHEYCPAWACQF-INIZCTEOSA-N 398.470 3.510 0 40 GHAB COc1ccccc1NC(=O)C[C@H]1C(=O)Nc2c(C)c(-c3ccc(F)cc3)nn21 90594450 FQPVAYMMFKPWEE-INIZCTEOSA-N 394.406 3.528 0 40 GHAB Cn1cnc2ccc(C(=O)Nc3cccc(CSc4ccccn4)c3)nc21 1627207954 BPKRUVRCGUFLRI-UHFFFAOYSA-N 375.457 3.908 0 40 GHAB CCOC(=O)c1ccc(-c2ccc(CN3CCC(O)(C(F)F)CC3)o2)cc1 614662883 OBGZIADVWMJZKZ-UHFFFAOYSA-N 379.403 3.715 0 40 GHAB O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 652445450 HVUDDTKJZHPLRN-QGZVFWFLSA-N 390.890 3.677 0 40 GHAB CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2CCCc3cc(Cl)ccc32)cc1 59266142 WAIDIANLHNBORY-IZZDOVSWSA-N 390.892 3.704 0 40 GHAB CCC(=O)Nc1cccc(C(=O)N2c3ccccc3C[C@@H]2C(=O)OC(C)(C)C)c1 84718700 CPGSFEGBSKPFBP-LJQANCHMSA-N 394.471 3.948 0 40 GHAB COc1cc(/C=C/C(=O)NC[C@H]2CCCO2)ccc1OCc1ccccc1C 956387 CGUJRCPDVLIZSD-ZAHGZRRWSA-N 381.472 3.891 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 5257329 RSZAEYVRYUOFMC-UHFFFAOYSA-N 387.896 3.606 0 40 GHAB Cc1nccc(-c2sc(C3CCN(C(=O)c4oc(C)nc4C)CC3)nc2C)n1 12186204 OEHIQPMNIMHREH-UHFFFAOYSA-N 397.504 3.842 0 40 GHAB CN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 13038614 ZKNCALGJYIUBTB-UHFFFAOYSA-N 399.800 3.868 0 40 GHAB O=C1CCCN1CCCNc1ncc(-c2cccs2)c(-c2nccs2)n1 13266534 QDNDBADAQUNMKB-UHFFFAOYSA-N 385.518 3.753 0 40 GHAB COc1ccc(OC)c(NC(=O)Cc2c(C)c3c(OC)cc(C)cc3oc2=O)c1 13571999 XMPVQPJWWDWKGA-UHFFFAOYSA-N 397.427 3.617 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC(=O)N3)cc1 14607330 AXWWETZEFIJASW-INIZCTEOSA-N 395.850 3.737 0 40 GHAB CCOc1ccc(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2cc(C)no2)cc1 19532877 HFWLUGUKIQQMCU-GOSISDBHSA-N 380.448 3.678 0 40 GHAB COc1ccc(-c2cc(C(=O)NCCc3nc4cc(C)c(C)cc4[nH]3)on2)cc1 19718930 ZBZYXBVNUSELJL-UHFFFAOYSA-N 390.443 3.816 0 40 GHAB CCn1cc(-c2cc(C(=O)Nc3ccc(C)cc3-c3cc(C)n[nH]3)no2)cn1 19719308 SVPBJDGWGNAKPF-UHFFFAOYSA-N 376.420 3.817 0 40 GHAB Cc1nc2c(c(N3CCC(NC(=O)OCc4ccccc4)CC3)n1)CCCC2 238870854 MWCPZPZPSOXTGM-UHFFFAOYSA-N 380.492 3.559 0 40 GHAB NC(=O)c1cc2cc(F)ccc2nc1[C@H]1CCCN(C(=O)C2CCCCC2)C1 13266618 FMSHZPGDUXYRFT-HNNXBMFYSA-N 383.467 3.759 0 40 GHAB COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@H]1CCOC1(C)C 661058313 LEWOPYKNFLVDDP-NWDGAFQWSA-N 385.302 3.633 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(OC)c(OC)c1 31494363 IVOBUJCDFRCYEO-OAHLLOKOSA-N 395.814 3.531 0 40 GHAB O=C(c1cc(-c2ccco2)on1)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1 238816463 BOVLCMBYIXMNRW-LLVKDONJSA-N 382.401 3.676 0 40 GHAB Cc1cnc(C)c(OC2CCN(c3ncc(Br)cc3C)CC2)n1 2086968233 WEIBJRXLOHVMGS-UHFFFAOYSA-N 377.286 3.607 0 40 GHAB O=S(=O)(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc(F)cc1 4305169 KNSGOVROIOTLQL-LJQANCHMSA-N 386.448 3.501 0 40 GHAB CC(=O)N(CC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 4573568 VKZMZOXIVBIYIZ-SXYIGIQMSA-N 398.478 3.523 0 40 GHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](COc2ccncc2)C1 1775970637 HFNUWGDENUIVAS-AWEZNQCLSA-N 380.366 3.911 0 40 GHAB CN(CC1CCN(c2ccnc(C3CC3)n2)CC1)c1ncnc(C2CC2)c1F 2086864939 UDXVSIACDNFVKE-UHFFFAOYSA-N 382.487 3.513 0 40 GHAB CO[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccccc1Cl 206851520 JLWOYJAXGRPHHR-IBGZPJMESA-N 387.842 3.997 0 40 GHAB CCSc1ccccc1C(=O)NCCn1nc(-c2cccs2)ccc1=O 43999821 OIGFABMTAHRBDB-UHFFFAOYSA-N 385.514 3.514 0 40 GHAB Cc1oc(-c2cccs2)nc1CC(=O)N1c2ccccc2[C@H](C(N)=O)C[C@H]1C 40069821 SLIMISOSGXUWFE-IUODEOHRSA-N 395.484 3.648 0 40 GHAB CC(C)CNC(=O)[C@H]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)C1 40121284 SECDJHWOMGGYLT-HNNXBMFYSA-N 385.335 3.937 0 40 GHAB CN(c1ccc(Br)cn1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 40139352 JKYWJJZWMRLCPN-UHFFFAOYSA-N 383.311 3.967 0 40 GHAB Cc1sc2c(c1C)c1nc(-c3cccnc3)nn1c(=O)n2Cc1ccccc1 32093905 WGTGPMKZXTYSFP-UHFFFAOYSA-N 387.468 3.833 0 40 GHAB CCc1ccc(-c2csc3ncn(CC(=O)NCc4ccco4)c(=O)c23)cc1 2549565 ZJKODXGBLALXNM-UHFFFAOYSA-N 393.468 3.597 0 40 GHAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 69737576 SGNVXWHKCXHDRJ-UHFFFAOYSA-N 383.496 3.890 0 40 GHAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)NCCc1ccc(Cl)cc1 45942856 YJEKUCXRSPFKDG-UHFFFAOYSA-N 397.887 3.624 0 40 GHAB O=C(CCS[C@H]1CCc2ccccc2N=C1O)NCc1ccc2c(c1)OCO2 11865952 XRNYXKCWUUQDEK-IBGZPJMESA-N 398.484 3.758 0 40 GHAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)C[C@H]1CCCO1 908038 VBMIWWSQAFRLMR-GOSISDBHSA-N 381.403 3.754 0 40 GHAB O=C(CSc1nnc(NC(=O)c2ccccc2Cl)s1)NC1CCCC1 1381530 BZHXRGWSCFQMPW-UHFFFAOYSA-N 396.925 3.595 0 40 GHAB COc1ccc(-c2noc(CCc3nc(-c4ccc(OC)cc4)no3)n2)cc1 41097898 IEMKTOPSODSFNJ-UHFFFAOYSA-N 378.388 3.589 0 40 GHAB O=C(COCc1nc2ccccc2s1)Nc1ccc2c(c1)OC(F)(F)O2 32747620 YURKLNJABLIGOY-UHFFFAOYSA-N 378.356 3.773 0 40 GHAB COCCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccco1 4161478 ROXHRLYMCXWLNJ-UHFFFAOYSA-N 386.477 3.614 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)nc3onc(C)c23)C1 32878719 YRNDNCQINWOJAU-CYBMUJFWSA-N 399.472 3.675 0 40 GHAB O=C(/C=C1\SC(=O)NC1=O)Nc1ncc(Cc2cccc3ccccc23)s1 6550516 QCLUMKRIWJACLY-DHDCSXOGSA-N 395.465 3.693 0 40 GHAB Cc1nnc(S/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)O)[nH]1 6866815 MIWCPOAZAWEPKV-NVNXTCNLSA-N 386.389 3.808 0 40 GHAB CCOc1ccc(CCNC(=O)COCc2cc(-c3cccs3)on2)cc1 6876545 VGQZETIVQFYOLO-UHFFFAOYSA-N 386.473 3.677 0 40 GHAB CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccc(C#N)cc1 6961192 PXUMCBWLXQBNTF-YBFXNURJSA-N 387.439 3.722 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 7667774 HLZKYFRDDURYRI-GFCCVEGCSA-N 378.881 3.611 0 40 GHAB CC(C)c1ccc(CNC(=O)CCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 41254571 AQSVAJOJEGFSCI-UHFFFAOYSA-N 393.462 3.879 0 40 GHAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(C)c(C)c1 10119824 QBDHMTWQHAYSAS-UHFFFAOYSA-N 379.445 3.731 0 40 GHAB C[C@@H]1Cc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2N1S(C)(=O)=O 10324170 HLYIITYMUWUGTH-SNVBAGLBSA-N 399.299 3.956 0 40 GHAB Cc1ccccc1OCc1nn(CC(=O)N[C@H]2CCCC[C@@H]2C)c(=S)o1 8571589 CERKIGRULPWGEX-ZFWWWQNUSA-N 375.494 3.788 0 40 GHAB CC(C)(C)OC(=O)Nc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 8699147 XDYRQXPKQWQRQK-AWEZNQCLSA-N 380.441 3.554 0 40 GHAB in-vitro O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1 54672217 OBDCPWFMKYIRKF-KRWDZBQOSA-N 393.270 3.750 0 40 GHAB CC(C)Sc1ccccc1C(=O)NCc1cccc(CN2CCOCC2)c1 56019146 GISFRMXVPGPGQD-UHFFFAOYSA-N 384.545 3.949 0 40 GHAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc2c(c1)OCCO2 702220 WRZAHOLHCLGZJH-UHFFFAOYSA-N 380.400 3.935 0 40 GHAB CCOc1ccc(N2C[C@](O)(c3ccc(OCC)cc3)[N+]3=C2CCCC3)cc1 2966383 VXBKRWHWDAWJEI-QHCPKHFHSA-N 381.496 3.744 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2c(C)cccc2CC)c(-c2ccccc2)n1 57527263 OSRPXVMBKLHXQN-UHFFFAOYSA-N 375.472 3.982 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 823453 MSCGGBDPBZXJNZ-HXUWFJFHSA-N 380.444 3.845 0 40 GHAB O=C(CCN1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccc(F)c(F)c1 22931643 PQRLJPMCBLNIQY-UHFFFAOYSA-N 399.894 3.826 0 40 GHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1C(F)(F)F 23039867 LSBGFBBTTDELGH-UHFFFAOYSA-N 375.350 3.604 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)Cn2cnc3sc(CC)cc3c2=O)cc1 57954147 SGBAINXYUUBKCP-UHFFFAOYSA-N 383.473 3.642 0 40 GHAB CCOC(=O)c1cnc2ccccc2c1Nc1ccc(N2CCOCC2)cc1 953622 YFUOAISWAWACPJ-UHFFFAOYSA-N 377.444 3.992 0 40 GHAB COc1c(C)cccc1C(=O)Nc1ccccc1-c1nn2c(C)nnc2s1 57315738 NHXPPVLQGWWSPM-UHFFFAOYSA-N 379.445 3.731 0 40 GHAB C[C@H](OC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)N1C[C@@H](C)O[C@H](C)C1 24222045 XTHHFPZNZVZEMS-MCIONIFRSA-N 391.851 3.781 0 40 GHAB O=C(NCCc1nc2ccccc2[nH]1)c1c[nH]c2ccc(Br)cc12 12525624 QBLUPPLASQQMES-UHFFFAOYSA-N 383.249 3.779 0 40 GHAB COC(=O)C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1cccs1 24987277 ZMOWLZQFNCJXNC-HNNXBMFYSA-N 384.457 3.756 0 40 GHAB Cc1cn2c(/C=C3\N=C(c4ccccc4OC(F)F)OC3=O)c(C)nc2s1 12549635 MIVWHOPODCFOSS-GHXNOFRVSA-N 389.383 3.959 0 40 GHAB COc1ccc(NC(=O)c2cc[nH]n2)cc1NC(=O)c1ccc(Cl)cc1F 55781694 ORDBCRNVOAJRHX-UHFFFAOYSA-N 388.786 3.715 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)Cc2ccc(Br)cc2)cc1 3241969 ZAEFFCKPEADCBO-UHFFFAOYSA-N 392.249 3.572 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)c(OC)c1 59294301 BLALLRIBKMVXCR-UHFFFAOYSA-N 395.278 3.593 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1OC 20759917 ABPBNPNXPDQSJJ-UHFFFAOYSA-N 399.472 3.717 0 40 GHAB CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)O 2097900 ZFHLUKRCGRUOQZ-QGZVFWFLSA-N 399.443 3.685 0 40 GHAB biogenic CCOc1ccc(-c2noc(-c3nnn(-c4cc(C)cc(C)c4)c3N)n2)cc1 10273102 BQYYQAYRUVEWQB-UHFFFAOYSA-N 376.420 3.582 0 40 GHAB COc1ccccc1CCn1cnc2c([nH]c3ccc(Br)cc32)c1=O 2283525 IIPOHMNSMJKYRG-UHFFFAOYSA-N 398.260 3.892 0 40 GHAB O=C(COc1ncnc2scc(-c3ccccc3)c12)NC(=O)NC1CCCC1 3365966 IBHTVZZIURXIKM-UHFFFAOYSA-N 396.472 3.506 0 40 GHAB NC(=O)C1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1 3303644 YOXBEFQDYADLIN-UHFFFAOYSA-N 393.874 3.893 0 40 GHAB Brc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2OC3)cc1 2314509 WGYUVTZIHQLYBS-KRWDZBQOSA-N 381.233 3.512 0 40 GHAB C[C@@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(S(C)(=O)=O)cc1 10969173 HVSVIZBWLVZGNS-LLVKDONJSA-N 392.527 3.766 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)nc2ccccc2c1=O 12780855 PTJALXKJVAFTMB-NSHDSACASA-N 389.427 3.814 0 40 GHAB Cc1ccc(Nc2nc(CSc3nnnn3C[C@H]3CCCO3)cs2)cc1 9836784 BFGMRYRXPLVICJ-OAHLLOKOSA-N 388.522 3.653 0 40 GHAB CC(C)N(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1 3477681 QQPXPZVROFZFKQ-UHFFFAOYSA-N 397.456 3.999 0 40 GHAB COc1cccc(CN(C)CC(=O)NCCc2ccc(Cl)cc2Cl)c1 3433711 GVKJBZCUTNDXPX-UHFFFAOYSA-N 381.303 3.793 0 40 GHAB C[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1cccc(S(N)(=O)=O)c1 12974855 WQASSWVKFYELSS-HNNXBMFYSA-N 396.468 3.617 0 40 GHAB CCCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)CCC)c(Cl)cc1Cl 12924838 JGPZUAKOZOCMHF-JTQLQIEISA-N 381.325 3.600 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1cccc(Cl)c1 12995627 ZRKPBIAWIGASMN-UHFFFAOYSA-N 389.908 3.680 0 40 GHAB COc1cc(C(=O)N[C@H](C)CCc2cn(C)c3ccccc23)cc(OC)c1OC 3765599 IVDKGDPVCDDENG-OAHLLOKOSA-N 396.487 3.955 0 40 GHAB CCCc1cc(=O)oc2c(C(=O)[C@@H](C)CC)c3c(c(O)c12)C[C@@H](O)C(C)(C)O3 13459461 IWAUBOJXTGEZNN-SMDDNHRTSA-N 388.460 3.754 0 40 GHAB endogenous,in-man COc1ccc(CCNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1OC 6083480 VIMZGAFJPNJNES-UHFFFAOYSA-N 399.878 3.824 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 4251165 SVGDNPCKQIYQAG-UHFFFAOYSA-N 391.452 3.886 0 40 GHAB CC[C@@H]1CCc2c(sc(NC(=O)c3c(OC)cccc3OC)c2C(N)=O)C1 6119419 OMQUCKOCOYWBAA-LLVKDONJSA-N 388.489 3.631 0 40 GHAB O=C(CSc1cccc[n+]1[O-])N1c2ccccc2OC[C@@H]1c1ccccc1 8511161 RJIRFAQDIQBRBK-GOSISDBHSA-N 378.453 3.579 0 40 GHAB COC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OC)C1c1ccc(F)cc1 4576128 ILSXABAHXDUBKC-UHFFFAOYSA-N 381.403 3.539 0 40 GHAB CC1CCN(C(=O)[C@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 14239622 NYGFBUNQVDFMDL-HNNXBMFYSA-N 390.480 3.837 0 40 GHAB CCC[C@@H](NC(=O)c1ccccc1)C(=O)OCc1coc(-c2ccccc2)n1 4699183 NAXCPKLJQBKSDU-LJQANCHMSA-N 378.428 3.984 0 40 GHAB NS(=O)(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 4702908 INZLEAFHAGMQMP-HKWRFOASSA-N 378.453 3.513 0 40 GHAB COc1ccccc1CNC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 67013452 CZHLFFWHDGJVLX-SFHVURJKSA-N 378.831 3.771 0 40 GHAB O=C(CSCc1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 4906322 HCFXCXDASHKWTC-UHFFFAOYSA-N 383.542 3.878 0 40 GHAB CCC1CCC2(CC1)NC(=O)N(Cc1cc(Cl)c3c(c1)OCCCO3)C2=O 7088474 UIURVWIVFZNKDP-UHFFFAOYSA-N 392.883 3.892 0 40 GHAB CC(C)N(C(=O)CSc1nc(-c2ccccc2Br)n[nH]1)C(C)C 7251970 JWKOZZUYRNCYPS-UHFFFAOYSA-N 397.342 3.972 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 7477743 KJOHSEZUARUWRS-POZUXBRTSA-N 383.492 3.729 0 40 GHAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(Br)cc1 7552467 FAFISMNIVWBELU-HNNXBMFYSA-N 379.254 3.515 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1NC(C)=O 7703966 ZGBPOKSPVZGFHW-GOSISDBHSA-N 390.505 3.719 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 8061696 QOOFJKFZVRZZMI-UHFFFAOYSA-N 376.460 3.981 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCCC3)cc2)cc1 8033334 WZXCCELSRIJCFD-UHFFFAOYSA-N 388.489 3.559 0 40 GHAB CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 409105691 NYCFVDVFUWKBGC-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB Cn1nc(C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)ccc1=O 72240587 NCTLFNDAVUVARS-UHFFFAOYSA-N 390.374 3.512 0 40 GHAB CN(C)CC[C@H](NC(=O)c1cccc(OCc2cscn2)c1)C(C)(C)C 72286471 ZXPBIGXUMSJSFU-SFHVURJKSA-N 375.538 3.818 0 40 GHAB Cc1csc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)n1 19911224 GKOIGODUAHVKMO-GOSISDBHSA-N 395.484 3.928 0 40 GHAB Cc1cnc2c(c1)NC(=O)CN2C(=O)c1sc(-c2ccc(F)cc2)nc1C 79095075 XOQRTEICHGRATE-UHFFFAOYSA-N 382.420 3.560 0 40 GHAB COc1ccnc(C(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)c1 95959973 PUIRVOAGDDCWKA-LBPRGKRZSA-N 396.472 3.663 0 40 GHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 20450996 PTYRNZTZWIDGKL-GOSISDBHSA-N 399.443 3.673 0 40 GHAB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3)o2)cc1 409010678 DFNQBICRKYIVKP-UHFFFAOYSA-N 383.473 3.984 0 40 GHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(C)cc(C)c2)c(F)c1F 408628424 SUQANOQFBANENN-UHFFFAOYSA-N 386.370 3.995 0 40 GHAB Cc1cc(S(=O)(=O)N2CC(c3nc4ccccc4[nH]3)C2)c(Cl)cc1Cl 56924262 PBZZOVXTNZFAPA-UHFFFAOYSA-N 396.299 3.966 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 219600498 LXYPZFRARKUWPY-LJQANCHMSA-N 395.459 3.870 0 40 GHAB CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1csnn1)c1ccccc1 35290931 QSCLEYYWCVZPIY-GOSISDBHSA-N 394.500 3.841 0 40 GHAB C[C@H](C(=O)Nc1ccccc1OC(F)(F)F)n1nc(-c2ccco2)ccc1=O 62012639 HOBJUZAPKAMVRT-LLVKDONJSA-N 393.321 3.602 0 40 GHAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cccc2Cl)c1=O 44840738 ZALVVSXWELHIOH-CQSZACIVSA-N 399.878 3.735 0 40 GHAB CCOC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(OCC)cc1 44508433 YQJGLQIVERPWQR-UHFFFAOYSA-N 397.500 3.912 0 40 GHAB COc1ccc(-n2cnc3c(C(=O)c4ccccc4)n4ccccc4c3c2=O)cc1 41105043 JOOSFCVUAXIFQH-UHFFFAOYSA-N 395.418 3.878 0 40 GHAB CN(C)C(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224345346 YMPGVGWBRDYIJV-UHFFFAOYSA-N 387.288 3.520 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 83263388 GFBINBZELWIJOS-GZTJUZNOSA-N 382.441 3.679 0 40 GHAB Cc1ccc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c(C)c1 224256718 FPCGEOAPWVNTAH-UHFFFAOYSA-N 387.487 3.672 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(OC3CCCC3)cc2)cc1OC 224817759 YKFHNDDZLPIJPH-UHFFFAOYSA-N 391.489 3.850 0 40 GHAB CC(C)c1ccc(CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 224512713 OVKCMZIXSUPXRU-UHFFFAOYSA-N 386.517 3.670 0 40 GHAB c1ccc(CN2CCC(N3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)CC2)cc1 96245633 HAGHCXQFZKADLR-ZEQRLZLVSA-N 375.560 3.715 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21 96241971 CUSGSXYVUCTTFY-GOSISDBHSA-N 383.536 3.638 0 40 GHAB CN(Cc1cccnc1)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)C1 96220870 DOGRMEQXAKJMJO-HXUWFJFHSA-N 399.922 3.631 0 40 GHAB CCOc1ccc([C@H](N)c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1OC 95534288 KDXDUYQJODEXCF-INIZCTEOSA-N 392.381 3.946 0 40 GHAB CCOCCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96038075 JORIYQJAOGTKIF-UHFFFAOYSA-N 388.471 3.948 0 40 GHAB Cn1ccnc1C[C@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C1 257275924 NROJIRWDXXJZNF-MRXNPFEDSA-N 379.460 3.833 0 40 GHAB Cc1cc(Nc2cccc(C3CCN(C(=O)COc4ccccc4)CC3)n2)[nH]n1 257323570 WKYDDBLUIWUQRZ-UHFFFAOYSA-N 391.475 3.642 0 40 GHAB Cc1cc(C)cc(OCc2nnc(SCC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)o2)c1 260483379 SWZREEUKDUCTED-YQQAZPJKSA-N 387.505 3.662 0 40 GHAB Cc1ccc(O)cc1C(=O)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 1630663336 MXDOQWBMSBYANK-NRFANRHFSA-N 387.439 3.996 0 40 GHAB Cc1cccc(F)c1-n1nc(C(=O)Nc2cnc3c(c2)COCC3)c2c1CCC2 643312028 GNHUQAPNLULQFI-UHFFFAOYSA-N 392.434 3.529 0 40 GHAB Cn1ncc(C2CCC2)c1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 666216126 BKDZPCWDFXBWKD-UHFFFAOYSA-N 381.461 3.649 0 40 GHAB C=CC(=O)Nc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 1638869216 IYBQZUMEXDPSNF-GOSISDBHSA-N 388.826 3.817 0 40 GHAB CCCN1C(=S)N[C@H](c2cccc(F)c2)C(C(=O)Nc2cc(C)on2)=C1C 11202741 AQWICKPTHIDJKC-QGZVFWFLSA-N 388.468 3.676 0 40 GHAB CCOc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccccn2)cc1OC 12135089 JZYNCVGSJGEKOE-LIMIJEPZSA-N 382.504 3.609 0 40 GHAB Cc1cc(OCC(=O)N[C@H](c2cccc(F)c2)c2nccn2C)ccc1Cl 12549834 IJQIHRWOPRAUAH-LJQANCHMSA-N 387.842 3.806 0 40 GHAB COc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1 14222399 HPQVQHGXKMHAJV-UHFFFAOYSA-N 385.489 3.666 0 40 GHAB CC(C)(C)c1cc(/C=C2\SC(=O)N(CC(N)=O)C2=O)cc(C(C)(C)C)c1O 16322996 BDAFVKLMUGOWJV-ZROIWOOFSA-N 390.505 3.509 0 40 GHAB COc1cccc(CN(C)[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1OC 16378232 PWBMIHVNFWWGEG-SCUMNGBJSA-N 386.536 3.609 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2C)cc1 19239632 CIZHDDSIGFPWQW-FQEVSTJZSA-N 376.460 3.695 0 40 GHAB O=C(Cn1ccc2ccc(F)cc21)N1CCC(c2nnc3n2CCCCC3)CC1 19331850 VDYGVSRWJHZEPM-UHFFFAOYSA-N 395.482 3.505 0 40 GHAB CCOC(=O)C1(C[C@H]2CC(c3ccccc3F)=NO2)CCN(CC2CC2)CC1 19530199 VSTOZCHUFPGUAK-QGZVFWFLSA-N 388.483 3.764 0 40 GHAB Cc1cc(C)n(-c2cccc(C(=O)N3CCCC[C@@H]3CCN3CCCC3)c2)n1 19574720 NXPDEGRLVVEYSA-OAQYLSRUSA-N 380.536 3.970 0 40 GHAB Cc1cccc(CN(Cc2ccccc2)Cc2cnc(N3CCOCC3)s2)n1 19664425 QCAHUUNOUFBJCP-UHFFFAOYSA-N 394.544 3.886 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3cccc(-n4cccn4)c3)[nH]n2)c(OC)c1 19716297 YUPZJCOIHAIEAX-UHFFFAOYSA-N 389.415 3.532 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(CC(C)(C)C)o3)C2)cc1C 23140390 DUZSYXKFQZGJII-INIZCTEOSA-N 391.537 3.843 0 40 GHAB CCOC(=O)c1c(NC(=O)CSc2nc(C)cs2)sc(C(C)=O)c1C 3413697 DNWYMVRXTSAHOX-UHFFFAOYSA-N 398.531 3.932 0 40 GHAB CNc1nc(S[C@H](C)C(=O)Nc2cc(OC)ccc2OC)nc2ccccc12 24599283 LDMAPIXTYDPXRF-GFCCVEGCSA-N 398.488 3.808 0 40 GHAB O=C(CCc1ccc(C(F)(F)F)cc1)N[C@@H](Cn1nccn1)c1ccccc1 245053534 OYQRXPHXULTTPX-SFHVURJKSA-N 388.393 3.787 0 40 GHAB O=C(c1cccs1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@]21CCOC1 1565542711 WWSMMGRNTOLOMZ-QHCPKHFHSA-N 396.556 3.893 0 40 GHAB CCOC(=O)[C@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 2720650 UKUSQFLKBFSKRO-ZDUSSCGKSA-N 393.468 3.911 0 40 GHAB O=S(=O)(NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 5137587 RXBRIYKOIXAJOG-UHFFFAOYSA-N 378.906 3.985 0 40 GHAB Cc1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1 7616040 NROHTDIDBVSBKI-UHFFFAOYSA-N 383.451 3.688 0 40 GHAB O=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)NCc1ccco1 13654323 OTGMMRPBDCJRII-UHFFFAOYSA-N 390.461 3.709 0 40 GHAB CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(C)c(C)c2)CC1 22460120 CZMIZBYRPHMXEY-NQIIRXRSSA-N 385.577 3.862 0 40 GHAB O=C(c1ccccc1F)N1CCC[C@H](c2nnc(Cc3ccc(F)cc3)o2)C1 35596875 DYTOWAQSPMBTDY-HNNXBMFYSA-N 383.398 3.958 0 40 GHAB O=C(CCSc1ccccc1)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 44002057 AFHHXFPFOQLPNY-CMDGGOBGSA-N 398.528 3.830 0 40 GHAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@@H](Oc2ccncc2Cl)C1 575612748 MDYGUHPZVJRPPF-CQSZACIVSA-N 384.819 3.525 0 40 GHAB COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(N)s2)cc1 12895458 HVMSWAMFJXANHW-UHFFFAOYSA-N 399.497 3.910 0 40 GHAB Cc1nc2c(c(N3CCC(NC(=O)c4ccccc4Cl)CC3)n1)CCCC2 225739368 CDJZZFKOBDGEFL-UHFFFAOYSA-N 384.911 3.716 0 40 GHAB O=C(Cc1csc(-c2cccs2)n1)NCc1cccc(N2CCOC2=O)c1 40146830 MQLCSHAIQXYRRP-UHFFFAOYSA-N 399.497 3.687 0 40 GHAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1ccc(Cl)cc1 40288477 AUKRYFQSJOCENL-NRFANRHFSA-N 397.862 3.666 0 40 GHAB CNC(=O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12 17942480 JPOYEIIGFOQRNW-UHFFFAOYSA-N 394.319 3.959 0 40 GHAB Cc1cc(=O)oc2c(C)c(OC(=O)CCNC(=O)OCc3ccccc3)ccc12 2148293 KSDYNVDIGYARNC-UHFFFAOYSA-N 395.411 3.632 0 40 GHAB biogenic CS(=O)(=O)c1cccc(C(=O)Oc2ccc(C3SCCS3)cc2)c1 32738089 MWYDIIVURNEPIQ-UHFFFAOYSA-N 380.512 3.788 0 40 GHAB COCc1ccccc1CNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 32803416 QJVKOVRQFKIOGZ-OAQYLSRUSA-N 384.476 3.801 0 40 GHAB CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 4944584 JWLPJOGSLWGDAY-GFCCVEGCSA-N 397.422 3.775 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(F)cc2F)c1C 6354658 BRSIEVUHRNFWKJ-NSHDSACASA-N 379.359 3.515 0 40 GHAB CC(C)[C@H](NC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)O 6364845 ANOBEDCFCCAPEU-RWENRRORSA-N 385.504 3.759 0 40 GHAB CCc1nnc2sc(-c3ccc(NC(=O)c4cccc(C)c4OC)cc3)nn12 6710866 KICVXXBDJPMPGJ-UHFFFAOYSA-N 393.472 3.985 0 40 GHAB COc1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 7400705 RPHPLSRXZAHEJS-LZGZYFLISA-N 384.520 3.991 0 40 GHAB COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 7564646 OMHNOUHTJIMBFP-LLVKDONJSA-N 386.498 3.590 0 40 GHAB COc1cccc(CNn2cn[nH]c2=S)c1OCc1ccc(Cl)cc1 8495336 FIGDQWOLOVPKAI-UHFFFAOYSA-N 376.869 3.925 0 40 GHAB C/C=C/c1cc(C(=O)NCc2cn3cc(Cl)ccc3n2)cc(OC)c1OC 32902303 QMEOVJQPIUSVCE-SNAWJCMRSA-N 385.851 3.968 0 40 GHAB Cc1nc(C(=O)NCCCO[C@@H](C)c2ccccc2)nn1-c1ccc(F)cc1 32907578 FRBPVGBJGHADNW-HNNXBMFYSA-N 382.439 3.613 0 40 GHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2cccc(O)c2)n2ncnc2N1 8610026 RONNXEJWFVRVDZ-QGZVFWFLSA-N 381.823 3.565 0 40 GHAB Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 22191046 FQCZEHGQDIIRIX-UHFFFAOYSA-N 385.445 3.757 0 40 GHAB COc1ccc([C@H]2SCCN2S(=O)(=O)c2cc(OC)c(C)cc2C)cc1 629462 XBTJJRZKUWITEP-LJQANCHMSA-N 393.530 3.757 0 40 GHAB COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 679002 JOOLEBAUFOLWJD-UHFFFAOYSA-N 383.256 3.907 0 40 GHAB O=C(NCc1ccncc1)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1 22572712 VOPSEKAHIGOCEW-UHFFFAOYSA-N 377.835 3.641 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCC[C@@H]1c1nc2ccccc2s1 42294833 YBXZNRMPQPCHAH-GDBMZVCRSA-N 395.484 3.983 0 40 GHAB Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H]1C[C@H]1c1ccccc1Br 104585692 CDSVHFGKMLSTEN-DZGCQCFKSA-N 398.251 3.872 0 40 GHAB CC(=O)N1C[C@@H](C(=O)N(Cc2ccco2)c2ccc(C)cc2)Oc2ccccc21 23293207 BZHCXIBHUWVBMC-QFIPXVFZSA-N 390.439 3.935 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)cc1 28236215 OUAUVEFCQPMKLG-UHFFFAOYSA-N 380.370 3.767 0 40 GHAB Cc1nc(NC(=O)CN2C(=O)c3ccccc3N[C@@H]2c2ccccc2)sc1C 61719166 IRSLRBBNGVMIEK-IBGZPJMESA-N 392.484 3.965 0 40 GHAB Cc1nc(-c2cccc(F)c2)sc1C(=O)N1CCN(c2ccccn2)CC1 61720380 GYDYPAMAPIKZAY-UHFFFAOYSA-N 382.464 3.615 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1c1cc(C)on1 24583924 CHIINPJYXIWZSQ-QGZVFWFLSA-N 391.374 3.758 0 40 GHAB COc1cccc2c1OC1(CCNCC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 1282591 SDUHVCHWOOSZBD-SFHVURJKSA-N 383.879 3.972 0 40 GHAB Cc1nc2ccccc2n1CN1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 12540017 ZZMUXEUFCVJNHD-UHFFFAOYSA-N 396.363 3.820 0 40 GHAB CCNC(=O)COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 24992755 JXAUTXQQBXYDHX-GFCCVEGCSA-N 395.286 3.999 0 40 GHAB C[C@H](Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)c1ccco1 25581389 SAFIMSMSOYHJPQ-ZDUSSCGKSA-N 384.505 3.778 0 40 GHAB COc1ccc([C@H](NC(=O)Nc2ccccc2N2CCC(O)CC2)C2CC2)cc1 58155658 QOFJUTSQWOGYTF-JOCHJYFZSA-N 395.503 3.929 0 40 GHAB Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 36613697 BACCCAVQOZOASU-NSHDSACASA-N 393.422 3.870 0 40 GHAB Cc1ccc(C)c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 12775753 LOMITFKJVJOOIZ-UHFFFAOYSA-N 381.501 3.982 0 40 GHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2cccc(Br)c2)c1 3424140 CEYOZEVSAAOXQK-CMDGGOBGSA-N 390.233 3.653 0 40 GHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc2c(c1)OCCO2 3477314 LMZWQNJHCVQHNI-UHFFFAOYSA-N 390.443 3.695 0 40 GHAB Cc1ccc(-c2csc(=O)n2CC(=O)N[C@H]2CCOc3ccccc32)cc1 12984665 UKXZRROYIUIELX-KRWDZBQOSA-N 380.469 3.525 0 40 GHAB CCn1cc(C(=O)N[C@@H](C)c2ccc(OC)cc2)c(=O)c2cc(OC)ccc21 22236053 RYEMFGAUCZRXNA-AWEZNQCLSA-N 380.444 3.530 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 12980324 HTWLPKYYWCYQSD-SFHVURJKSA-N 377.462 3.964 0 40 GHAB COc1ccc(C2(CNC(=O)/C=C(/C)c3ccccc3)CCOCC2)cc1OC 4025594 LRWPDBRMEHCULC-SDXDJHTJSA-N 395.499 3.972 0 40 GHAB biogenic Cc1ccc(C)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 5298939 LDKNQPFJUSDXBB-CQSZACIVSA-N 398.937 3.810 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1C 13944838 LMHSAUWHQGMYCM-KRWDZBQOSA-N 393.462 3.954 0 40 GHAB CC(=O)Nc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc1 5345471 YWZNFLKOISQXGR-UHFFFAOYSA-N 390.439 3.905 0 40 GHAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)[C@@H]4CCCO4)cc3)sc2c1 6566345 PGUUGJCKKBMAIB-KRWDZBQOSA-N 396.468 3.932 0 40 GHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 6530452 IAVDYRSSNHTRMX-CQSZACIVSA-N 375.852 3.546 0 40 GHAB Cc1cc(=O)oc2c(C)c(OCC(=O)NCCc3c[nH]c4ccccc34)ccc12 6623798 AJDIUPJHEINICI-UHFFFAOYSA-N 390.439 3.629 0 40 GHAB biogenic COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)c(OC)c1 4880913 QTPSSAVYLORKCQ-UHFFFAOYSA-N 384.388 3.628 0 40 GHAB CC(=O)Nc1nc(CSc2ncnc3c2cnn3-c2ccccc2)cs1 6879119 MTOMCTCHKWWAPS-UHFFFAOYSA-N 382.474 3.523 0 40 GHAB COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 15014000 BFBLHAWTSSAWKO-IOFSEFHDSA-N 396.531 3.519 0 40 GHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Br)cc2F)CC1=O 4975557 SILDVPXXLQUWBC-LBPRGKRZSA-N 391.240 3.888 0 40 GHAB Nn1c(SC[C@H]2CC2(Cl)Cl)nnc1-c1ccc(OC(F)F)cc1 15355567 UBEGAJOOLBJZJL-MRVPVSSYSA-N 381.235 3.546 0 40 GHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O 8891459 UUATZJNKNCRXAX-HSZRJFAPSA-N 394.446 3.745 0 40 GHAB CN(C)c1cccc(CNC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 67413792 IINWPJSKIPIQJP-IBGZPJMESA-N 391.874 3.828 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 20457359 LLRPHHKAUBKEDH-OAHLLOKOSA-N 394.924 3.600 0 40 GHAB COc1ccc(-c2csc(NC(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)n2)cc1 7400628 UHXJIHQGGDIXOF-OAQYLSRUSA-N 394.452 3.929 0 40 GHAB O=C(COC(=O)c1nc(Cl)ccc1Cl)NC12CC3CC(CC(C3)C1)C2 7651615 WFSSRBTWYUUIDG-UHFFFAOYSA-N 383.275 3.630 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 113941661 PWQPFFXINGCXLH-CQSZACIVSA-N 380.897 3.750 0 40 GHAB O=C(Cc1ccc2c(c1)CCC2)Nc1cc2c(cc1Br)OCCO2 7734820 CPGCEZJEMYQDCT-UHFFFAOYSA-N 388.261 3.890 0 40 GHAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1Oc1ccccc1 7778139 HEEKWQSUNZLOEV-UHFFFAOYSA-N 393.443 3.672 0 40 GHAB O=C(c1ccc(-c2ccccc2F)o1)N1CCN(C(=O)c2cccs2)CC1 7899894 MDOSUKUYQGYEQL-UHFFFAOYSA-N 384.432 3.745 0 40 GHAB COc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cn1 16206356 PLRJANJJQGPMPX-UHFFFAOYSA-N 389.864 3.960 0 40 GHAB O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(F)c(F)c1 7977846 BQPSTIIIKFCAAA-UHFFFAOYSA-N 395.409 3.945 0 40 GHAB CCc1nnc(NC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)s1 8114595 IZLJINWXTWRGAD-UHFFFAOYSA-N 392.488 3.763 0 40 GHAB COc1ccc(N2C(=O)C(O)=C(C(=O)OC(C)(C)C)[C@@H]2c2ccccc2)cc1 19830985 UAZSLQYLTGBUCC-SFHVURJKSA-N 381.428 3.937 0 40 GHAB O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@H]1N=Nc2ccc(Br)cc21 96343492 RNLGCJWJPBHFKV-HOCLYGCPSA-N 385.221 3.536 0 40 GHAB COc1ccc(C(=O)N(C)C)cc1NCc1cc(Cl)cc2c1OCOC2 95364899 ABMXJXGHBLLFLC-UHFFFAOYSA-N 376.840 3.529 0 40 GHAB CC(C)(C)c1ncc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cn1 95454946 BIPVCKLHUGLNHK-MRXNPFEDSA-N 391.479 3.928 0 40 GHAB CC(C)(C)OC(=O)[C@H](Cc1ccccc1)Nc1ncnc2c1cnn2C(C)(C)C 95460489 LFCGJASMYBHIQD-KRWDZBQOSA-N 395.507 3.946 0 40 GHAB CCCCc1noc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)n1 22757052 MEVLQMWUAUAJPW-UHFFFAOYSA-N 399.307 3.984 0 40 GHAB Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3o2)cc1F 79025074 MUYNFZFMWTXRPQ-CYBMUJFWSA-N 391.402 3.917 0 40 GHAB COc1ccc(-c2csc(CN3CCN(C(=O)c4cccs4)CC3)n2)cc1 21687812 UMBFBYOWEGCGKW-UHFFFAOYSA-N 399.541 3.838 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCCCCc2ccccc2)c(Br)c1 408707724 CXOZOLAUMCCDFX-UHFFFAOYSA-N 389.293 3.835 0 40 GHAB CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 25811522 MNRMJFLWLMNRKY-UHFFFAOYSA-N 380.469 3.760 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2c(CC)cccc2CC)cc1NC(C)=O 408553968 AMNLHDIWWWFMBN-UHFFFAOYSA-N 390.505 3.969 0 40 GHAB CN(C(=O)Cn1cc(C(N)=O)c2ccccc21)[C@@H]1CCCC[C@H]1c1ccccc1 1528612564 SJFDPFVRCJIGHV-GHTZIAJQSA-N 389.499 3.925 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32967702 MTNYCPMOZRHXCX-KRWDZBQOSA-N 386.517 3.849 0 40 GHAB Cc1c(C(=O)Nc2nc3ccccc3s2)nnn1-c1nc2c(s1)CCCC2 56934060 BTIOQNAUDLLINC-UHFFFAOYSA-N 396.501 3.773 0 40 GHAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1 32610740 GRSDYVJMYIEISQ-KGLIPLIRSA-N 395.818 3.542 0 40 GHAB COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(-n3ccnc3C)n2)cc1 72378490 PMCVCUZETUYEGP-NRFANRHFSA-N 390.487 3.881 0 40 GHAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccccc2)n1 35424851 BJFITXVNBYYRLJ-SFHVURJKSA-N 379.464 3.527 0 40 GHAB biogenic,in-vitro Fc1cccc(-c2cnc([C@@H]3CCCCN3c3nccc(-n4cccn4)n3)[nH]2)c1 79017488 IYDOLXJWUMBIFO-SFHVURJKSA-N 389.438 3.923 0 40 GHAB CCOC(=O)Nc1ccc(C(=O)N(CC)Cc2ccc(OC)c(OC)c2)cc1 39995557 SCHZJMYCMAHSET-UHFFFAOYSA-N 386.448 3.935 0 40 GHAB CCc1ccc(NC(=O)COc2cc(C(=O)OC)nc3ccc(C)cc23)cc1 64775164 XIOAYSNOKPVENV-UHFFFAOYSA-N 378.428 3.910 0 40 GHAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 226916277 ONBUIYNTGMIXGT-UNEKCQOXSA-N 396.512 3.972 0 40 GHAB CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1COc1ccc(C)cc1 224472128 RFJABXOUMODVIT-UHFFFAOYSA-N 382.504 3.750 0 40 GHAB O=C(Cn1nnc2ccccc21)Nc1cccc(COc2cccc(F)c2)c1 40089018 XFYPBOJSYPGDIC-UHFFFAOYSA-N 376.391 3.788 0 40 GHAB CCc1nn2c(nnc3c(=O)n(CCC(C)C)ccc32)c1-c1ccc(F)cc1 40391605 XBMFLSFHWHRBLL-UHFFFAOYSA-N 379.439 3.854 0 40 GHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 223630762 BZLZPBWFDNFPQH-OAQYLSRUSA-N 396.531 3.960 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 223014529 IGYAUCGOKDBDPV-HXUWFJFHSA-N 384.545 3.949 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 49936963 AVBDYAUVBSMVAN-HNNXBMFYSA-N 378.394 3.822 0 40 GHAB CCCc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)s1 40141372 OJAQXCJVVJNLJI-SNVBAGLBSA-N 384.299 3.968 0 40 GHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)[nH]1 224034656 SZBPLLUMFQPBFH-OALUTQOASA-N 378.457 3.624 0 40 GHAB CCN1CCN(c2ccc(N)cc2NC(=O)COc2ccc(C(C)C)cc2)CC1 226260179 QEZGSWCJMHUYDD-UHFFFAOYSA-N 396.535 3.552 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O 96562257 MQVLUYIRNWCZDK-PILJQMSFSA-N 388.420 3.604 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1cccc(Cl)c1 95482478 FYVMBOARRFFPQV-UHFFFAOYSA-N 377.853 3.879 0 40 GHAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)Cc3ccccc3F)[C@@H]1CCC[C@H](O)[C@@H]2O 257280154 OJSHNZFPFKIOQJ-PEKPJSAASA-N 397.490 3.622 0 40 GHAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1nccc2ccccc12 257253375 JYPSCGCTCSUSHJ-JBYGMCGMSA-N 377.488 3.629 0 40 GHAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C(=O)CCCn2cccn2)nc1 257232467 GKZDXQLHNVMRSG-IBGZPJMESA-N 379.464 3.694 0 40 GHAB O=C1C[C@H](c2ccccc2C(F)(F)F)c2c(O)nc(N3CCCCC3)nc2N1 585655796 OCVGESDUOLWYPN-GFCCVEGCSA-N 392.381 3.665 0 40 GHAB CC1(C)CN(C(=O)c2cc(C(F)(F)F)cnc2O)CCN1Cc1ccccc1 635506890 CRXNITDZSISEKW-UHFFFAOYSA-N 393.409 3.543 0 40 GHAB O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@H]1CCCN(CC(F)(F)F)C1=O 1139016156 OIWDGSCGIYHHIZ-BPLDGKMQSA-N 388.817 3.503 0 40 GHAB O=S(=O)(Cc1ccccc1)Cc1cccc(N[C@@H]2CCCn3ccnc32)c1 655752603 ROGFDPLDGNZZMA-HXUWFJFHSA-N 381.501 3.945 0 40 GHAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NC[C@@H]2C(C)(C)C2(F)F)C1 660546437 UANONHNVNFUJOC-SWLSCSKDSA-N 387.858 3.518 0 40 GHAB COc1ccc([C@@H](NC(=O)c2nnn(C(C)(C)C)n2)c2ccccc2Cl)cc1 669050220 MUQXBUNZLSYYRM-QGZVFWFLSA-N 399.882 3.610 0 40 GHAB O=C(c1cc2ccccc2o1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96103459 BBOMFKPEDXWVQV-MRXNPFEDSA-N 389.860 3.775 0 40 GHAB Cc1cnc(Nc2ccnc(CC3CCN(Cc4cccnc4)CC3)n2)s1 585262524 CUTNGJVGMAGTDB-UHFFFAOYSA-N 380.521 3.835 0 40 GHAB Cc1csc(CN2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)n1 585103846 DDZIJBCEKUZEAC-LJQANCHMSA-N 387.549 3.825 0 40 GHAB Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1ccc(-c2cc[nH]n2)cc1 685939929 IOLGDVKSKIGCNB-INIZCTEOSA-N 382.489 3.666 0 40 GHAB Cc1ncc(CNC(=O)Nc2cccc(N3CCCC3=O)c2)n1-c1ccccc1 72305596 JBTJWURWGNKLQH-UHFFFAOYSA-N 389.459 3.629 0 40 GHAB CSc1nc(C)c(CCC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)c(=O)[nH]1 64323942 XJRMGNNOFHLKGD-SFHVURJKSA-N 385.533 3.713 0 40 GHAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(SC)cc2)cc1 5866887 RWCRAHRXEWYLSW-SFHVURJKSA-N 383.473 3.684 0 40 GHAB c1coc(-c2nc(NCc3ccccc3-n3ccnc3)ncc2-c2cnccn2)c1 12087659 UQFXGWHYFWIYEP-UHFFFAOYSA-N 395.426 3.991 0 40 GHAB Cc1ccc(Oc2ccccc2NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 12808676 OPBGWPBOKJLEHV-UHFFFAOYSA-N 393.443 3.590 0 40 GHAB CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O 13711261 HGKUGRDDCBJPPO-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB CN1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)c2nc3ccccc3nc21 14900974 DMHUUYRTXOTPLP-UHFFFAOYSA-N 386.377 3.674 0 40 GHAB CCc1n[nH]c(C(=O)N2CCCC[C@H]2c2nn(C)cc2-c2onc(C)c2C)c1C 19520948 WCAAVWDAABUWCW-KRWDZBQOSA-N 396.495 3.653 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 6237661 XBEKGEMMSPXBAX-IAGOWNOFSA-N 386.517 3.914 0 40 GHAB O=C(CN1CCCCCOc2ccccc2Oc2ncccc2C1)N1CCCC1 643575136 CEPMQPILGIJHRJ-UHFFFAOYSA-N 395.503 3.861 0 40 GHAB O=C(CC1CCCCC1)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 13265663 WXWKCLCOJZLJLP-UHFFFAOYSA-N 377.439 3.738 0 40 GHAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](COc2ccncc2)C1 1776000985 SOZJSJVDEBVMCE-MRXNPFEDSA-N 378.394 3.961 0 40 GHAB O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccccc1 2719672 RBOIZFAZNUQEIU-UHFFFAOYSA-N 395.509 3.612 0 40 GHAB COc1ccc(C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)cc1 4374734 JRPOCAJLFMPYAL-UHFFFAOYSA-N 396.447 3.578 0 40 GHAB C[C@H](NC(=O)c1cccc(Cl)c1)[C@@H](c1cccs1)N1CCN(C)CC1 22460000 CBSHKRGBEYFKGH-KSSFIOAISA-N 377.941 3.509 0 40 GHAB Cc1cc(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)c(C)o1 1889133969 XLBPBPOGWKDBLS-BBRMVZONSA-N 379.382 3.661 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N(CCc1cccs1)C1CCOCC1 206675481 DXNVADPLXMQVDT-GQCTYLIASA-N 385.485 3.740 0 40 GHAB COCCNC(=O)Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 38716635 LIXQRDPBLWUAQY-UHFFFAOYSA-N 395.381 3.655 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CCCn1cnc(-c2ccccc2)cc1=O 49028170 SSLYGJZNQNKBKV-UHFFFAOYSA-N 397.862 3.991 0 40 GHAB O=C(c1ccc(Br)o1)N1CCN=C1SCc1ccccc1F 4120564 RNQYFTLTAMARGR-UHFFFAOYSA-N 383.242 3.926 0 40 GHAB CCn1cc([C@@H](NC(=O)[C@H](N)CC(C)C)c2ccc(F)cc2)c2ccncc21 19524811 APMNGZJCEGBCIP-CTNGQTDRSA-N 382.483 3.774 0 40 GHAB CCc1cc(=O)oc2cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)c(Cl)cc12 2092496 KDCNMAPQODSKGT-JTQLQIEISA-N 395.839 3.827 0 40 GHAB biogenic O=Cc1cn(C(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)c2ccccc12 13575979 IDFZEAJOHZXXMT-UHFFFAOYSA-N 397.814 3.954 0 40 GHAB COC(=O)/C(=C/Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C(C)C)cc1 100025899 OGSQJZLLXOHQGI-PDGQHHTCSA-N 377.437 3.849 0 40 GHAB C[C@@H](CNC(=O)NCc1cccnc1OC1CCCC1)N1CCc2ccccc21 31124999 JCJYFITXPOIKLL-KRWDZBQOSA-N 394.519 3.653 0 40 GHAB Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)c1 100623302 BXOPICYHPPSHOH-LRGYGIHKSA-N 386.451 3.867 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 31953571 QSHLSQADZVFZEW-FQEVSTJZSA-N 391.471 3.618 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccccc4OC)cnn32)cc1 20723044 CVFRJMZDPPWGHR-KRWDZBQOSA-N 392.415 3.739 0 40 GHAB CC1=NN(c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC(=O)N4)cc2)CC1 45986212 VTXMAHJXHCLRLK-HNNXBMFYSA-N 376.460 3.648 0 40 GHAB COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCCCCC3)n12 928532 IVAHGMJFMQFLMO-UHFFFAOYSA-N 384.505 3.694 0 40 GHAB CSCC[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1 2642429 GETIVOYRCWLEAY-INIZCTEOSA-N 383.473 3.558 0 40 GHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)NCCNC(=O)c1ccccc1 32802982 BHAFMWWMMWIWON-UHFFFAOYSA-N 380.275 3.565 0 40 GHAB CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)Nc1ccccc1F 6022877 GFPVUEBDECMPJQ-GOSISDBHSA-N 388.439 3.874 0 40 GHAB O=C(CSc1cccc[n+]1[O-])N1Cc2ccccc2[C@H](c2ccccc2)C1 29839844 JNQKDZXDCHLTKP-FQEVSTJZSA-N 376.481 3.586 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1 7361722 PGJSBFDJPNQYQZ-UHFFFAOYSA-N 396.468 3.813 0 40 GHAB COc1ccc(OCc2nnc(Sc3ccc(C=O)cc3[N+](=O)[O-])o2)cc1 7610277 QSRLKFQTFNHXFY-UHFFFAOYSA-N 387.373 3.529 0 40 GHAB O=C(COc1ccccc1F)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 7688316 YDVHLFYISZOXTL-UHFFFAOYSA-N 386.404 3.738 0 40 GHAB COc1ccc(COC[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 32907305 WVCOTGCNJHKJCN-AWEZNQCLSA-N 380.366 3.641 0 40 GHAB Cc1csc(=O)n1CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 32900637 RGERDCJABPXNPJ-UHFFFAOYSA-N 382.445 3.501 0 40 GHAB Fc1ccc(-c2nnc(N3CCN(C[C@@H]4CCCO4)CC3)c3ccccc23)cc1 33010801 BYJKSPXXQRSREJ-IBGZPJMESA-N 392.478 3.737 0 40 GHAB Cc1ccc(C)c(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccccc2)c1 8369850 YUSAQRSPGJGHKO-UHFFFAOYSA-N 388.533 3.661 0 40 GHAB COc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)ccc1OC(C)C 2766059 XSQRHECHQUSESB-YLJYHZDGSA-N 380.444 3.652 0 40 GHAB biogenic COc1ccc2nc(CN3C[C@@H]4CCC[C@@H](C3)C4(O)c3cccnc3)ccc2c1 100148534 MTCQNXWQBVCNSH-PMACEKPBSA-N 389.499 3.758 0 40 GHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(F)c(F)c1F)cn2C 22237456 MGXYSDXLNSBWOU-UHFFFAOYSA-N 376.334 3.607 0 40 GHAB CC(=O)c1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2cccs2)c1 851270 MJJQMZXFPRSPKB-ATVHPVEESA-N 380.425 3.953 0 40 GHAB C[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1cccc(Br)c1 20029760 JGYVKJGBLIIWOK-GFCCVEGCSA-N 376.250 3.640 0 40 GHAB O=C(Cc1cn2ccsc2n1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 23388954 NFMAEUAICUIABH-FQEVSTJZSA-N 387.468 3.720 0 40 GHAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2ccccn2)CC1 23424571 RIBFDFODSVYHDF-ZDUSSCGKSA-N 379.291 3.538 0 40 GHAB COc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 59960834 SPLSKGZGQLIVQI-UHFFFAOYSA-N 376.412 3.965 0 40 GHAB COc1ccccc1CNC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 56544879 BAMIJTPRTXSQOD-UHFFFAOYSA-N 381.476 3.572 0 40 GHAB COc1ccc(CN2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)cc1OC 1277650 PZCXLRXZYLOQLL-NRFANRHFSA-N 394.515 3.501 0 40 GHAB O=C(CCN1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc2c(c1)CCC2 24856807 ASLBWNNRFNGVIK-UHFFFAOYSA-N 391.515 3.855 0 40 GHAB COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@H]2C3)cc1 100519920 JSRSHQJCNXRJKF-PBFVBANWSA-N 392.455 3.719 0 40 GHAB CC(=O)c1c(Nc2ccc(-c3nnc4n3CCCCC4)cc2)oc(C)cc1=O 27525953 FHLUCYPKHFJNLS-UHFFFAOYSA-N 378.432 3.879 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 24974370 RBQRNLYXHZKZJD-OAQYLSRUSA-N 397.438 3.802 0 40 GHAB COc1ccc(CN(C(=O)c2ccc(C(F)(F)F)nc2)C2CC2)c(OC)c1 25292639 SVVWQQOEFADBKE-UHFFFAOYSA-N 380.366 3.922 0 40 GHAB COc1c(Cl)cccc1NC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 56755916 RODGURQZDKQKBK-UHFFFAOYSA-N 391.855 3.548 0 40 GHAB CC[C@H](NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C)cc1C 22327667 YESPULGTNWKRFP-FQEVSTJZSA-N 388.533 3.645 0 40 GHAB Cc1ccc(CN2C[C@@H](C(=O)Nc3nc4c(s3)CCCCC4)CC2=O)cc1 21902064 TYAGALUBOBEKOQ-INIZCTEOSA-N 383.517 3.708 0 40 GHAB CC(C)c1noc([C@H](C)N2CCN(CCOc3ccc(Cl)cc3)CC2)n1 44585340 RBUFJBHBRKCZBK-HNNXBMFYSA-N 378.904 3.604 0 40 GHAB Cc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)cc1 23125693 FRGSZYWILZSXBO-UHFFFAOYSA-N 386.411 3.512 0 40 GHAB Cc1cc(SCC(=O)NCc2ccc3c(c2)OCO3)nc2c(C)cccc12 3381945 UNPLSJUTRUGMFR-UHFFFAOYSA-N 380.469 3.989 0 40 GHAB Cc1ccc(C)c(NC(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)c1 3338142 LUTNQEDCQSWEAX-UHFFFAOYSA-N 399.516 3.541 0 40 GHAB C[C@@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)N1CCc2sccc2C1 58329244 XARVHMWIUNYUCC-INIZCTEOSA-N 399.564 3.702 0 40 GHAB O=C(OCc1ccccc1F)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3322515 QHNGIXKNFJRRNE-UHFFFAOYSA-N 396.395 3.560 0 40 GHAB C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(OCc2ccccc2)cc1 8187035 TUNMHOVYVLMYJT-CQSZACIVSA-N 395.488 3.706 0 40 GHAB Cc1cc(C)c(C)c(SCCN2C(=O)c3ccccc3S2(=O)=O)c1C 10560512 TVWZKDMZABNNKE-UHFFFAOYSA-N 375.515 3.857 0 40 GHAB COc1ccc(CNC(=O)CCOc2cccc(Br)c2)cc1OC 12754195 TWDWDKYKBPMKFY-UHFFFAOYSA-N 394.265 3.552 0 40 GHAB O=C(COc1ccc2ccccc2c1)Nc1ccc(-c2nnnn2C2CC2)cc1 12787392 DSCDLZGIDVHELN-UHFFFAOYSA-N 385.427 3.846 0 40 GHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1c(F)cc(F)cc1Br 12817141 SGXVUQANYVODMT-VIFPVBQESA-N 388.233 3.867 0 40 GHAB C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1Cl 12822529 QGXKXUNLSZHRDB-SECBINFHSA-N 387.213 3.879 0 40 GHAB CC(=O)Nc1ccccc1OCC(=O)NCCc1ccc(Cl)cc1Cl 3429577 ZVMGGJVZJBZMHK-UHFFFAOYSA-N 381.259 3.690 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)N(C)Cc2ccc3ccccc3c2)cc1 12976062 HYVJICCAQNSYTG-UHFFFAOYSA-N 376.456 3.627 0 40 GHAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc2c(c1)OCO2 8261843 BWICMPRZFAVBRN-AWEZNQCLSA-N 395.484 3.843 0 40 GHAB COc1ccc2cc([C@H]3CC(O)=Nc4c3cnn4C(C)(C)C)c(=O)n(C)c2c1 49545490 XLLRHAWGSFCKIJ-CQSZACIVSA-N 380.448 3.622 0 40 GHAB Cc1c(C(=O)N(C)Cc2ccccc2F)sc2nc3n(c(=O)c12)CCCCC3 49929367 CVCDDYZNENMBIL-UHFFFAOYSA-N 399.491 3.904 0 40 GHAB CCn1cc(C(=O)Nc2ccnn2C2CCCCC2)c(=O)c2ccc(C)nc21 6606429 ATRDWAPNOMEYLL-UHFFFAOYSA-N 379.464 3.679 0 40 GHAB Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 6868413 WNISFGUUFUGGSF-UHFFFAOYSA-N 387.288 3.561 0 40 GHAB CC[C@H](C)Sc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)s1 4975610 MGCVWGOAMMZYIM-STQMWFEESA-N 390.534 3.729 0 40 GHAB O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)NC[C@H]1CCCO1 5969166 MNNVWFNZNJDEBS-MRXNPFEDSA-N 394.500 3.761 0 40 GHAB CCc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)c1 67298462 CXGURCWEPVHICD-APPAOHSRSA-N 392.455 3.842 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC(c3nnc4ccccn34)CC2)c(C)c1 70754351 FFTNDPGZGOTEAY-QGZVFWFLSA-N 377.492 3.553 0 40 GHAB C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)N1CCCC1 7702413 OVWJAJYHEOHSKY-OAHLLOKOSA-N 395.484 3.769 0 40 GHAB COc1ccc([C@@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc1 409112044 JTJXCXZUCUYXAV-SFHVURJKSA-N 379.412 3.761 0 40 GHAB O=C(Nc1ccccc1)c1ccc(Cn2nc(-c3cccs3)oc2=O)cc1 9376163 QMDVYXDRCQAXOU-UHFFFAOYSA-N 377.425 3.865 0 40 GHAB Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)c1 26882617 ROALELLNHFXHIO-UHFFFAOYSA-N 375.465 3.726 0 40 GHAB COc1ccc(NC2=N[C@H](c3ccccc3OC)N3C(O)=CC(C)=NC3=N2)cc1 19922011 ZPQSPYVHMYOZSN-IBGZPJMESA-N 391.431 3.716 0 40 GHAB COc1c(C)cnc(CN2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)c1C 95993121 SIHHBDQHZYHMCR-SFHVURJKSA-N 377.492 3.872 0 40 GHAB C[C@H](NCc1cccc(-c2ccccn2)c1)c1cccc(S(=O)(=O)N(C)C)c1 95972489 FXRWOABHIWXOSA-KRWDZBQOSA-N 395.528 3.850 0 40 GHAB CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)OCN2C(=O)OCc2ccccc2)cc1 408738906 WWDJINOGAXUUQQ-LJQANCHMSA-N 396.443 3.660 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 408678997 HLFYLVIHEHTLBJ-AWEZNQCLSA-N 387.432 3.513 0 40 GHAB CCc1s/c(=N\S(=O)(=O)c2ccccc2)n(C)c1-c1ccc(OC)cc1 409205911 QWECLVXKSUYWNI-VXPUYCOJSA-N 388.514 3.614 0 40 GHAB CCOc1ccc(CN2CCC(c3nnc4ncc(C5CC5)cn34)CC2)cc1 306140469 UULRGZYZYOQTSH-UHFFFAOYSA-N 377.492 3.780 0 40 GHAB Cc1ccsc1CN1C[C@H]2[C@@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 306125906 DFIISWSQUMNZNS-VQTJNVASSA-N 377.513 3.940 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1OCC 408585945 LNHVACBDRJCLCZ-UHFFFAOYSA-N 378.450 3.763 0 40 GHAB Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)c3cnc(C)nc3C)n2)n1 72375484 WMRFHKZPQHTIHA-QGZVFWFLSA-N 394.504 3.974 0 40 GHAB O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCN(c2ccccc2)CC1 38835989 MTYADSZMVPSHNI-FQEVSTJZSA-N 397.950 3.901 0 40 GHAB CN(C)C(=O)c1cc([C@@H]2CN(CCc3ccccc3)CCO2)nc2ccccc12 72352698 CHOFYMLBEDBMLX-QHCPKHFHSA-N 389.499 3.553 0 40 GHAB CC1=C[C@@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1 30882099 YNFKPRKGBZOYSQ-FHWLQOOXSA-N 386.540 3.972 0 40 GHAB biogenic,in-vitro CC(C)c1ccc(OCc2nnc(SCC(=O)NC3CCCC3)o2)cc1 33689397 ZESZFLDJZMIHEX-UHFFFAOYSA-N 375.494 3.923 0 40 GHAB O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(NC(=O)C(F)(F)F)c1 39754938 RJNOSMHWPIXLPE-UHFFFAOYSA-N 392.362 3.958 0 40 GHAB COc1ccccc1NC(=O)[C@@H]1CC(O)=Nc2c(-c3ccccc3OC)cnn21 32091523 QAKFXZNCDBVKKX-INIZCTEOSA-N 392.415 3.739 0 40 GHAB Cc1nc(-c2ccccn2)sc1-c1nn2c(C(F)(F)Cl)nnc2s1 61720737 XLUFTVYXWBROLS-UHFFFAOYSA-N 384.824 3.968 0 40 GHAB Cc1cc(OCC(=O)NCCN(C)c2ccccc2)cc(C)c1Br 218842599 AHWWAFVAOLLLGQ-UHFFFAOYSA-N 391.309 3.697 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2N2CCCC2)cc1 72216021 QMZBINYQVUYGFC-FQEVSTJZSA-N 385.533 3.906 0 40 GHAB CC1CCN(Cc2ccc(C(=O)NCc3nc(-c4cccs4)no3)cc2)CC1 219236133 DCXJBVPVOWGNPV-UHFFFAOYSA-N 396.516 3.960 0 40 GHAB CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccs3)cc2s1 41091634 VRUVQEHMDVZKFL-UHFFFAOYSA-N 390.515 3.833 0 40 GHAB CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCN1c1ncccn1 72370536 NWWUCXRIPWATJS-OAHLLOKOSA-N 380.517 3.995 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220521904 XOXZHNJQGQVESH-KXBFYZLASA-N 392.496 3.556 0 40 GHAB COc1ccc(CN(C)C(=O)c2ccc(C)cc2I)cc1 225023453 HVAHXJZZRCZBTM-UHFFFAOYSA-N 395.240 3.880 0 40 GHAB O=C1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)Oc2cc(Cl)ccc21 225826619 DGFUNNUSPIPNMI-UHFFFAOYSA-N 399.830 3.709 0 40 GHAB Cc1nc(C2CC2)ncc1C(=O)Nc1ccc(I)cc1 222563293 BOVBSGQYOYOXNU-UHFFFAOYSA-N 379.201 3.519 0 40 GHAB CNS(=O)(=O)c1cccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1 40088150 JBKLQBXCJFHJBS-AATRIKPKSA-N 385.272 3.553 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1F 48354341 PWDQZYBOAXEQKN-UHFFFAOYSA-N 380.441 3.538 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 40930021 KAKXRCMQNKIJCC-VQIMIIECSA-N 382.508 3.644 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2Cl)cc1OC 224802644 GWTKMRLFEVFFHP-UHFFFAOYSA-N 376.261 3.836 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OC)cc1 222797633 QBLYCBUJEAVIPH-PMACEKPBSA-N 378.501 3.873 0 40 GHAB COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@H](c4ccccc4)C3)n(C)n2)c1 77200663 BWZQDVWTKNVTBS-KRWDZBQOSA-N 391.471 3.734 0 40 GHAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1 223227247 BIHFGWUHBOJJFT-LBPRGKRZSA-N 381.881 3.729 0 40 GHAB CC(C)CCC[C@@]1(C)Oc2c(O)cccc2[C@H]2OC[C@]3(CNCCO3)C[C@@H]21 257324847 WQLHDMNRNMQEAG-RGMHLJPOSA-N 375.509 3.806 0 40 GHAB Cc1cc(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)c(Cl)cc1Cl 253471329 BVTGDJXNDMPFBR-ZDUSSCGKSA-N 387.288 3.539 0 40 GHAB O=C(c1nccc2ccccc12)N1CCC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 257258858 KVUQNQPLSIXLTD-INIZCTEOSA-N 398.470 3.510 0 40 GHAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3scnc3C)CCO2)n1 257248356 JDIACIVSYYHLCE-KRWDZBQOSA-N 398.488 3.586 0 40 GHAB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 96103405 DGIGUOOPDNCVPA-IBGZPJMESA-N 385.529 3.633 0 40 GHAB NC(=O)c1cc(Br)c(OCc2ccccc2)c(Br)c1 575415167 VXWCFSJCLOKMRU-UHFFFAOYSA-N 385.055 3.890 0 40 GHAB Cc1ccccc1CN1CCOC[C@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 585104817 ULILCLOYLJCCFZ-HYBUGGRVSA-N 378.516 3.807 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)nc1C 54922282 HHGQUQFODAJBEB-UHFFFAOYSA-N 390.852 3.720 0 40 GHAB O=C(CNc1ccc(-n2cccn2)c(F)c1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 55879944 PXQNUXOWVLVSRU-TZMCWYRMSA-N 384.377 3.661 0 40 GHAB COCCOc1ccc(NC(=O)c2cn(-c3ccccc3Cl)nn2)c(C)c1 58689318 XHCZTBXWHHZBPI-UHFFFAOYSA-N 386.839 3.507 0 40 GHAB C[C@@H]1c2cccn2CCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 84718186 QPSRBFUFTFYSLI-LLVKDONJSA-N 386.805 3.961 0 40 GHAB COc1ccc(CN2C[C@@H]3C[C@H](C2)c2c(-c4ccco4)ccc(=O)n2C3)cc1 5411593 GOQKRKYXUUWIMW-ZWKOTPCHSA-N 376.456 3.736 0 40 GHAB biogenic,in-vitro CSc1ccccc1NC(=O)C[C@H]1CSc2nc(C(C)C)cc(=O)n21 11613572 ZSISXJXMVZNRER-LBPRGKRZSA-N 375.519 3.764 0 40 GHAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc3c(c2)C[C@@H](C)O3)CC1 12293069 XYJJCAFVXLVZMO-MRXNPFEDSA-N 382.479 3.777 0 40 GHAB Cc1oc(-c2ccccc2)nc1CSc1nnc(Cc2ccccc2F)n1N 12476006 HNMKUXSQMGHTLE-UHFFFAOYSA-N 395.463 3.978 0 40 GHAB COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3N2C(=O)Cc2cccc(C)c2)cc1 19713929 WKJLMOMWCRVHLB-BHDDXSALSA-N 392.499 3.557 0 40 GHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc(F)cc1F 19937628 YVIRTXVXZOXLCN-UHFFFAOYSA-N 375.762 3.550 0 40 GHAB CCCc1nnc(SCC(=O)N2CCc3ccccc32)n1Cc1ccco1 35312396 WZLSDCGRJPCVAP-UHFFFAOYSA-N 382.489 3.553 0 40 GHAB Cc1noc(C)c1C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 12736880 UZOQAGDODWOLJA-KRWDZBQOSA-N 377.448 3.587 0 40 GHAB O=C(NCC1(c2ccccc2Cl)CC1)N1CC[C@H](n2cc(Cl)cn2)C1 558604923 DTXJJCXPMWCIGZ-AWEZNQCLSA-N 379.291 3.878 0 40 GHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1C 2037912985 JFPZDJDJXOLFPW-QHCPKHFHSA-N 378.472 3.831 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)c2ccccc12 1089972 UHYZYQSYSRZDHK-UHFFFAOYSA-N 385.441 3.666 0 40 GHAB CCOC(=O)c1c(CN2CCN(c3ccccc3)CC2)oc2ccc(O)cc12 1080463 XBLLSSKIZVFONM-UHFFFAOYSA-N 380.444 3.637 0 40 GHAB COc1ccc(C(=O)CSc2nnc3ccc(-c4ccccc4)nn23)cc1 5167334 NMFDFXRCBCHSGU-UHFFFAOYSA-N 376.441 3.775 0 40 GHAB O=C(NC1CC1)C1(Nc2nccs2)CCN(Cc2cccc(Cl)c2)CC1 2055746097 JZJWBSUBCAVLGW-UHFFFAOYSA-N 390.940 3.522 0 40 GHAB O=C(NCC(=O)N1CCc2cc(-c3ccncc3)ccc21)OCc1ccccc1 225639696 LLLCBSNZCCZEIW-UHFFFAOYSA-N 387.439 3.564 0 40 GHAB CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccc(F)c3)cc2)CC1=O 10461902 ZHQVRAQAVLIUTB-INIZCTEOSA-N 397.450 3.665 0 40 GHAB O=C(NCc1ccc(Cn2cncn2)cc1)N[C@@H]1CCSc2ccc(F)cc21 40068899 GNXFRCCPYQDCNS-GOSISDBHSA-N 397.479 3.502 0 40 GHAB O=C1COc2cc(NC(=O)c3cccc(Br)c3)c(Cl)cc2N1 40081542 SOWBZQYQJHAACG-UHFFFAOYSA-N 381.613 3.686 0 40 GHAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccc(C(F)(F)F)cc2)c1 40097830 IGBMHEQMXAQYHK-HNNXBMFYSA-N 384.354 3.578 0 40 GHAB COc1cc(C(=O)NCc2ccc(-n3cccn3)nc2)ccc1OC1CCCC1 40145398 UYTIRMDZUZTDNB-UHFFFAOYSA-N 392.459 3.527 0 40 GHAB Nc1cc(C(=O)OCc2nc(O)c3ccc(C(F)(F)F)cc3n2)ccc1Cl 40161674 XRKHOIOMNBOKBE-UHFFFAOYSA-N 397.740 3.947 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2csc(-n3c(C)ccc3C)n2)c1 40131423 UFCXERCKQPBYOH-OAHLLOKOSA-N 399.516 3.988 0 40 GHAB CCOC(=O)c1sc(NC(=O)N(C)[C@H](C)C2CC2)c(C(=O)OCC)c1C 31087806 DALDRXMEXBZWOX-LLVKDONJSA-N 382.482 3.672 0 40 GHAB CCSc1nnc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)s1 46086716 WSWSHCNSRPZNFU-UHFFFAOYSA-N 392.462 3.575 0 40 GHAB O=C(c1n[nH]c2ccccc12)N1CCO[C@H](c2ccc(Br)cc2)C1 60065625 ZFEZTSQJWQMGLF-INIZCTEOSA-N 386.249 3.539 0 40 GHAB COc1cccc([C@@]2(C)NC(=O)N(Cc3csc(-c4ccccc4)n3)C2=O)c1 7814760 OTLVKTYTQKVRKW-OAQYLSRUSA-N 393.468 3.786 0 40 GHAB CNC(=S)N(Cc1ccc(Cl)cc1)Cc1cc2cc(C)ccc2[nH]c1=O 920042 GOFXKLNXWOTPDL-UHFFFAOYSA-N 385.920 3.996 0 40 GHAB O=c1c2ccccc2nc(-c2cccnc2)n1-c1ccc(Br)cn1 1081658 QJKZOSXRWXOYNF-UHFFFAOYSA-N 379.217 3.605 0 40 GHAB CC(C)Cn1c(SCC(=O)NCCc2ccccc2)nc2ccccc2c1=O 2635988 LDVWPVJEWPKXCU-UHFFFAOYSA-N 395.528 3.504 0 40 GHAB O=c1c2sccc2ncn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 21550692 FISUVNOUFMHGNV-UHFFFAOYSA-N 378.335 3.575 0 40 GHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccc2c(c1)OCCO2 4947831 WBKVOWUVLGHLCM-YXJHDRRASA-N 376.449 3.619 0 40 GHAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N1CCCC1 6080688 YWAGZBQJKPMSPZ-QMMMGPOBSA-N 378.807 3.505 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1OCC 6097966 UHIGDUGTDVHXFC-UHFFFAOYSA-N 390.509 3.533 0 40 GHAB Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1NS(C)(=O)=O 10370488 GKVOEHDNEKDOIX-UHFFFAOYSA-N 387.288 3.603 0 40 GHAB Cc1ccccc1CN1CCC(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)CC1 9062550 LQQVXGPYXWRNTF-PMACEKPBSA-N 385.596 3.691 0 40 GHAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2Cl)CC1 623972 ICLTYBHUJCBFDD-UHFFFAOYSA-N 399.922 3.826 0 40 GHAB CN(Cc1ccccc1Cl)C(=O)NCc1ccc(CN2CCOCC2)cc1 22436609 CCGVMRUQWMXFMN-UHFFFAOYSA-N 387.911 3.514 0 40 GHAB C[C@@H](NC(=O)[C@]1(C)CC1(Br)Br)[C@H]1C[C@@H]2CC[C@@H]1C2 101986685 NAIUYHATLLRLEU-CJJWORHMSA-N 379.136 3.823 0 40 GHAB COc1cc(OC)c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1OC 23534456 VEWOPBHTDAQNLO-UHFFFAOYSA-N 396.443 3.873 0 40 GHAB CCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 2971963 GKTJUPLSFRATIL-UHFFFAOYSA-N 399.516 3.779 0 40 GHAB Cc1csc(SCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 7986126 FALOSNYEDSVHDO-UHFFFAOYSA-N 396.559 3.601 0 40 GHAB O=S(=O)(C[C@H](O)CSc1cccc(C(F)(F)F)c1)c1ccccc1 1385773 IXLBZFDFYGBDSS-CYBMUJFWSA-N 376.421 3.632 0 40 GHAB CN(C)C(=O)COc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 25992053 NVXNJAPQOJARLF-UHFFFAOYSA-N 392.455 3.570 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(O)c(OC)c1 20823868 PILJYUAFVOKLSJ-IBGZPJMESA-N 398.484 3.674 0 40 GHAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(c(Cl)cc12)OCN(CCCO)C3 57140890 FWQGUZRDESFMAT-UHFFFAOYSA-N 399.874 3.880 0 40 GHAB CSc1ccc(N2C[C@H](C(=O)N(C)Cc3ccc(F)cc3F)CC2=O)cc1 26312074 HNYJVKCOAKLYDT-CQSZACIVSA-N 390.455 3.698 0 40 GHAB C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCN(c2ccc(F)cc2)CC1 57291679 GAFTZKSGAXIKEE-CQSZACIVSA-N 384.480 3.585 0 40 GHAB O=C(CN1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl)NC1CCCCC1 26602710 ZZWMWGCWVXDXJQ-QGZVFWFLSA-N 398.334 3.845 0 40 GHAB O=C(COC(=O)/C=C/c1ccco1)Nc1nc2c(F)c(F)c(F)cc2s1 3274677 GRHXCPDKEICDPV-ONEGZZNKSA-N 382.319 3.502 0 40 GHAB O=C(NCc1ccnc(N2CCOCC2)c1)N1CCC[C@H]1CC1CCCCC1 57990710 SKGYSGJWVABARP-FQEVSTJZSA-N 386.540 3.563 0 40 GHAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NCCC1=CCCCC1 3244830 PRYQCNCLAMLYFY-UHFFFAOYSA-N 396.443 3.695 0 40 GHAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC[C@H]3CCCO3)cc12 8133473 ZZLYUVSZZHNEPO-GFCCVEGCSA-N 375.881 3.958 0 40 GHAB O=C(COc1ccc(F)cc1)Nc1ccccc1C(=O)NCCc1ccccc1 21247419 PWORFFBQTGUCQQ-UHFFFAOYSA-N 392.430 3.816 0 40 GHAB Cc1cccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)n1 23143234 XXQCEIAFDHFDPB-UHFFFAOYSA-N 391.450 3.841 0 40 GHAB COc1ccccc1-c1n[nH]c(NC(=O)CCCc2c[nH]c3ccccc23)n1 48012103 PCMCYFBMZXDQAW-UHFFFAOYSA-N 375.432 3.923 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)no1 3364590 YRPMOFAWGCWVRQ-UHFFFAOYSA-N 392.411 3.626 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(C)n2C)c2ccccc2)c1 3386717 PENPXMKLKIZFHM-GOSISDBHSA-N 380.473 3.798 0 40 GHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 10951606 HFQXPDLYVNAQJA-DMZKTXOQSA-N 392.407 3.553 0 40 GHAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CCOc2ccccc2Cl)C1=O 3353597 ZFJGBKBJNSUWCN-SFHVURJKSA-N 379.243 3.839 0 40 GHAB O=S(=O)(c1cccc(-c2cn3cc(Cl)ccc3n2)c1)N1CCCCC1 2431390 QSSYOUMVZNYLDE-UHFFFAOYSA-N 375.881 3.829 0 40 GHAB CC[C@@H](C)c1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 12732187 WQKFNMSNRBBHQR-OAHLLOKOSA-N 377.506 3.738 0 40 GHAB CCOC(=O)CSc1nnc(NC(=O)Cc2cccc3ccccc23)s1 12817930 VBNUDTSJDJBHGV-UHFFFAOYSA-N 387.486 3.528 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 12861149 JNZQZWNIMYXESI-UHFFFAOYSA-N 395.434 3.819 0 40 GHAB CN(Cc1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc(F)cc1 12846918 ACUKQKGPODUBJZ-UHFFFAOYSA-N 380.828 3.955 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2C(C)C)cc1 3481622 URVOQMVHITVTIT-UHFFFAOYSA-N 387.465 3.562 0 40 GHAB O=C(Cc1ccc2ccccc2c1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 12978901 GYIWXTPJASCQJX-IBGZPJMESA-N 399.537 3.660 0 40 GHAB Cc1ccc(OCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c(C)c1 12981212 KSDKGTUYABOUIJ-UHFFFAOYSA-N 377.488 3.860 0 40 GHAB CCOC(=O)c1sc2ncn(Cc3nc4ccccc4s3)c(=O)c2c1C 8242845 KRBYGRILTMTSBQ-UHFFFAOYSA-N 385.470 3.601 0 40 GHAB Cc1ccc(CC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1 8250043 KMZJXZOWFWBPAE-UHFFFAOYSA-N 389.293 3.706 0 40 GHAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccnn1C1CCCC1)C(C)C 8345621 GZPIHFPNUDMYLA-FQEVSTJZSA-N 398.507 3.790 0 40 GHAB CCOc1ccc(-c2ccc(OC(=O)c3ccc(OC)c(OC)c3)nn2)cc1 408531508 MCBQGELOMLZJDI-UHFFFAOYSA-N 380.400 3.779 0 40 GHAB COc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2OC)c1 13842816 MJZWHIBGKLEWNC-UHFFFAOYSA-N 390.439 3.886 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(CCCN(C)C)C3=O 4337799 GKLUMKSPEJGTAX-FQEVSTJZSA-N 376.456 3.598 0 40 GHAB O=C(CSc1ccc2ccccc2n1)N1CCN(c2ccc(F)cc2)CC1 4372076 UDSMVOHQHCUORM-UHFFFAOYSA-N 381.476 3.815 0 40 GHAB O=C(c1ccc(F)cc1)N1CC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306130354 JDJUPHFPYCALBN-SFHVURJKSA-N 387.418 3.560 0 40 GHAB FC(F)(F)c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1 19117215 NWJPVXBIUDRQLH-UHFFFAOYSA-N 376.304 3.841 0 40 GHAB COc1cccc([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)c1OC 4519927 XEJVDRVZVCNCQC-HNNXBMFYSA-N 399.830 3.689 0 40 GHAB CCOc1ccc(NC(=O)c2c(O)c3c(n(CC(C)C)c2=O)CCCC3)cc1 5565219 FIDOTBZBYJSQAH-UHFFFAOYSA-N 384.476 3.740 0 40 GHAB COc1cccc(-c2noc(COC(=O)c3ccc(SC)cc3OC)n2)c1 6612234 MRXNYDXMNSCHBE-UHFFFAOYSA-N 386.429 3.833 0 40 GHAB Cc1ccc(C2=NN(C(=O)CSc3cccc[n+]3[O-])[C@@H](c3ccco3)C2)cc1 5780141 WDZGPZYWLBTEDL-GOSISDBHSA-N 393.468 3.691 0 40 GHAB CCOc1ccccc1CNC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 67064638 CBXYGXRTGONVSJ-GOSISDBHSA-N 382.460 3.903 0 40 GHAB Cc1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n1Cc1ccccc1 5982333 OYKUFZWVMSLERP-CYBMUJFWSA-N 377.473 3.725 0 40 GHAB COc1ccc(OCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1 7670578 UWXIVTBWFWJHBW-QGZVFWFLSA-N 398.484 3.896 0 40 GHAB COc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7777183 VDGVSAXINZJPJZ-KRWDZBQOSA-N 386.879 3.517 0 40 GHAB CCSc1nnc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)s1 8972927 DJEMUVFHABHIGK-UHFFFAOYSA-N 375.479 3.615 0 40 GHAB COc1ccc2c(C)c(CC(=O)Nc3ccc(F)c(F)c3)c(=O)oc2c1OC 9483614 AOGWPTFIEWJTKO-UHFFFAOYSA-N 389.354 3.578 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)CCSc2ccc(C)c(C)c2)n1 24864025 VHLCGGHFMLTTDG-UHFFFAOYSA-N 378.519 3.986 0 40 GHAB O=C(CSc1nnc(-n2cccc2)n1Cc1ccccc1)Nc1ccccc1 28534736 CXYNABMSTPMKLC-UHFFFAOYSA-N 389.484 3.848 0 40 GHAB Cc1ccccc1C1(CNC(=O)N2CCC[C@H]2c2cccn2C)CCOCC1 84235238 WTELCXPGMZDQQO-NRFANRHFSA-N 381.520 3.928 0 40 GHAB CC[C@H](C)c1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)n[nH]2)cc1 97104216 KADOVTTZWPSWII-HNNXBMFYSA-N 384.505 3.506 0 40 GHAB CC[C@H](CO)N(CCCO[C@@H]1CCOC1)Cc1ccc(Cl)cc1Cl 72308527 JJASTCMBNUTBMJ-IAGOWNOFSA-N 376.324 3.762 0 40 GHAB CC(C)CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)cc1 84510745 CNBNFYPLSJDZIR-PXNSSMCTSA-N 389.540 3.871 0 40 GHAB COc1cccc(-c2nsc(NC(=O)C[C@@H]3OCCc4ccsc43)n2)c1 95349311 NVHQHHMIAMBSAK-AWEZNQCLSA-N 387.486 3.918 0 40 GHAB O=C(NCCCCc1ccccc1)C(=O)Nc1ccc(Br)cc1F 408707628 POISMXVANAKCIJ-UHFFFAOYSA-N 393.256 3.666 0 40 GHAB CC(C)(C)c1ccccc1OCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 78241636 CKJQGSDYBIPGFD-QGZVFWFLSA-N 392.503 3.812 0 40 GHAB O=C(CCSc1ccc(F)c(F)c1)N1CCN(c2ccc(O)cc2)CC1 89788180 AAIKKFUQBJNERM-UHFFFAOYSA-N 378.444 3.501 0 40 GHAB COc1ccccc1Cn1cc(C(=O)Nc2ccccn2)c2ccccc2c1=O 79486089 RKGDHHNFIXBBNX-UHFFFAOYSA-N 385.423 3.706 0 40 GHAB COc1cccc(OCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 110936462 MVQRPWUKMLJSMO-UHFFFAOYSA-N 390.288 3.500 0 40 GHAB CCCOc1ccc(C(=O)NC(=S)Nc2c(C)ccc3nsnc23)cc1 408575411 UTUIVCINMJIAJS-UHFFFAOYSA-N 386.502 3.915 0 40 GHAB Cc1cccc(OCc2nn(CC(=O)N[C@H]3CCCC[C@H]3C)c(=S)o2)c1 409151715 IQJLHBMSQJECAN-ZBFHGGJFSA-N 375.494 3.788 0 40 GHAB c1cncc(-c2ccc3nc([C@@H]4CCN(Cc5ccc6c(c5)OCO6)C4)nn3c2)c1 306132530 LLOJLWBKFIZQTI-LJQANCHMSA-N 399.454 3.510 0 40 GHAB O=C(COc1ccc2c(c1)CCCC2)NCC1(c2ccccc2)CCOCC1 39756180 HQQXRTGLLIGQER-UHFFFAOYSA-N 379.500 3.809 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)CCn1ncc(=O)c2ccccc21 32820106 JMQYNYMZZYXPBG-UHFFFAOYSA-N 379.460 3.731 0 40 GHAB COC[C@H](C)N(C(=O)c1ccc(C(=O)OC)cc1F)[C@H]1CCc2ccccc21 1543616074 CPOOCDYFVQIUEF-XOBRGWDASA-N 385.435 3.777 0 40 GHAB COc1cccc(-c2csc(-c3nnn(-c4cccc(OC)c4)c3N)n2)c1 33265147 BLKKGHZFDPOHCE-UHFFFAOYSA-N 379.445 3.657 0 40 GHAB CCOc1ccc(NC(=O)COc2ccc(Br)cc2C(=O)O)cc1 217719200 ZAUWAWBOQQOMBT-UHFFFAOYSA-N 394.221 3.564 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C)cc3C)n2)c1 219538228 VCOPYYKLDGAIQX-INIZCTEOSA-N 395.459 3.788 0 40 GHAB COc1ccc(OC)c(CNC(=O)c2sc(Cc3ccccc3)nc2C)c1 30847168 SSOCFHOZJJYFNU-UHFFFAOYSA-N 382.485 3.990 0 40 GHAB CCOC[C@]1(N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218648981 CFQISRVUFFPHTG-AABGKKOBSA-N 393.936 3.576 0 40 GHAB COC(=O)c1cc(NC(=S)Nc2ccc(F)cc2C)cc(C(=O)OC)c1 71761173 MEZAHKUKPBOGHT-UHFFFAOYSA-N 376.409 3.516 0 40 GHAB Cc1nc(CCNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cs1 40049918 CBRCOJLOAOZBAL-UHFFFAOYSA-N 384.505 3.916 0 40 GHAB CCc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc2ccccc2c1 225044572 IZQIBHCIENKOHE-UHFFFAOYSA-N 383.469 3.771 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccccc1CN1CCCCC1 45866237 ITVBQNJYHOYASU-UHFFFAOYSA-N 376.497 3.599 0 40 GHAB O=C(c1snnc1-c1cccs1)N1CCN(c2cccc(Cl)c2)CC1 225789888 SHTHOAXZILKYIV-UHFFFAOYSA-N 390.921 3.882 0 40 GHAB CSc1cccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c1 220063675 JTFSIAIIHRRBOM-UHFFFAOYSA-N 398.937 3.775 0 40 GHAB O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccc(CN2CCCC2)cc1 44872276 HKYVAMRZCUTHIF-UHFFFAOYSA-N 396.915 3.695 0 40 GHAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)CC3CCCC3)CC2)Oc2ccccc21 96242944 PSKOJDDMPYHSEI-IBGZPJMESA-N 398.547 3.973 0 40 GHAB COCCC(=O)N1CC2(CCN(Cc3ccc(-c4ccccc4)cc3)CC2)C1 96089448 KONWXYNDVOHUEP-UHFFFAOYSA-N 378.516 3.815 0 40 GHAB Cc1cccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(C)(=O)=O)c1 244278519 WSRXPGVWVOQMBV-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB COc1cccc([C@@](C)(CC(=O)O)NC(=O)c2nsc3ccc(C)cc23)c1 1599653750 YBIVMMONLAUFDW-HXUWFJFHSA-N 384.457 3.733 0 40 GHAB Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)Cc3cccnc3)CC2)c1 257256019 KJTPGNMLWGOWIH-UHFFFAOYSA-N 376.460 3.697 0 40 GHAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ccnc(O)c1 585113724 WEWOZSFXTNMQQE-GOSISDBHSA-N 380.366 3.923 0 40 GHAB C[C@H]1CN(c2ccnc(C(=O)Nc3cccc(-n4cccc4)c3)c2)C[C@@H](C)O1 1629575918 JOCMGXPZTXVAEU-CALCHBBNSA-N 376.460 3.738 0 40 GHAB COCc1cc(Cl)ccc1NC(=O)NCc1c(C(F)(F)F)cnn1C 626592923 AAGSUBPVCYGRES-UHFFFAOYSA-N 376.766 3.560 0 40 GHAB Cc1cccc(-n2cnc3cc(C(=O)N4CCC[C@@H]([C@@H]5CCNC5)C4)ccc32)c1 662522602 MGTLUZBCDYIVFA-WOJBJXKFSA-N 388.515 3.796 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cnc(-n2cccn2)nc1 90584041 XDGGZSXYOYHSTO-UHFFFAOYSA-N 380.795 3.531 0 40 GHAB CC[C@](CNS(=O)(=O)c1ccc(OC)c(Cl)c1)(OC)c1ccccc1 96123779 OSFQHRXRSIDMOC-GOSISDBHSA-N 383.897 3.579 0 40 GHAB CC(C)N1C(=O)C2(CCN(C(=O)Cc3cccc(F)c3)CC2)c2ccccc21 585104084 LIZRDUHAHWWRBA-UHFFFAOYSA-N 380.463 3.684 0 40 GHAB CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)c2cccc(F)c2)CC1 49796776 PEWOBLFMZYHGDH-SFHVURJKSA-N 398.526 3.524 0 40 GHAB COc1ccc(CC(=O)Nc2ccc3c(c2)CCN3C(=O)c2ccoc2)cc1F 58168350 ICOJIXMONYLFRE-UHFFFAOYSA-N 394.402 3.811 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C)cc1 873985 PVTWPMLWOOQYQD-UHFFFAOYSA-N 385.468 3.606 0 40 GHAB CC(=O)Nc1cccc(C(=O)OCC(=O)c2cc(C)ccc2OC(F)F)c1 11407290 WGPPEZUGKDCPKU-UHFFFAOYSA-N 377.343 3.595 0 40 GHAB CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715619 BSMKUZHFWBCQCN-SFHVURJKSA-N 392.496 3.934 0 40 GHAB CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C/C(C)=C/c1ccccc1)C2 19014430 JFTDXAHMHZMPTE-OEHGHSTBSA-N 376.504 3.622 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1 19162502 PTYBYPDAPCUSFB-UHFFFAOYSA-N 388.489 3.854 0 40 GHAB Cc1cccc(C)c1Nc1noc2c1CN(C(=O)C[C@@H](C)n1ccnc1)CC2 19235754 ZBBJSGWCLCRGOG-MRXNPFEDSA-N 379.464 3.768 0 40 GHAB CC(=O)N[C@@H]1CN(C)C2(CCN(Cc3ccc(-c4ccccc4)cc3)CC2)C1 19704155 NIZWLXJAEWQOJR-QHCPKHFHSA-N 377.532 3.528 0 40 GHAB O[C@H](COc1cccc2[nH]ccc12)CN1CCC(COc2ccccc2)CC1 1846111 ARFNSMYWLYZEPU-IBGZPJMESA-N 380.488 3.699 0 40 GHAB in-man COc1ccccc1CNC(=O)c1csc(-c2cccc(OC)c2OC)n1 29506967 ATCSQLBYPJZZFU-UHFFFAOYSA-N 384.457 3.766 0 40 GHAB COc1ccccc1CN1CCCCN(C(C)=O)Cc2ccccc2OCC1 2037985329 GAYQRWMYHGQYAJ-UHFFFAOYSA-N 382.504 3.719 0 40 GHAB CSc1ccccc1NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374321 KQCMSPSSWZIHAO-ZDUSSCGKSA-N 375.881 3.989 0 40 GHAB Cc1c(Cl)ccc2sc(NC(=O)c3ccccc3S(C)(=O)=O)nc12 4517796 YJZJILZUOFCYGN-UHFFFAOYSA-N 380.878 3.914 0 40 GHAB O=C(CCCSc1ccc(NC(=O)C2CC2)nn1)Nc1ccc(F)cc1F 11793816 UEPMKJLNNIZTAF-UHFFFAOYSA-N 392.431 3.614 0 40 GHAB CN1c2ccccc2Oc2ccc(C(=O)Nc3ccccc3)cc2S1(=O)=O 15109641 IDMLNNPDSWJJEW-UHFFFAOYSA-N 380.425 3.870 0 40 GHAB O=S(=O)(NC[C@H]1COc2ccccc21)c1ccc(Cl)c(C(F)(F)F)c1 514687694 UPHPMNPCFAKXQQ-JTQLQIEISA-N 391.798 3.813 0 40 GHAB CCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3OCC)coc2c1 1983991 QXOVKUUOSLTMQM-UHFFFAOYSA-N 384.384 3.926 0 40 GHAB biogenic COc1ccc(OCCNC(=O)c2cc3cc(Br)ccc3[nH]2)cc1 40058770 NJZWJFKCMBRVSP-UHFFFAOYSA-N 389.249 3.748 0 40 GHAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(c3ccccc3C)[C@@]1(C)Oc1ccccc12 100029649 XLBXVFNMJVGBKI-LQWHRVPQSA-N 382.485 3.719 0 40 GHAB Cc1cc(C(=O)Nc2cccc(N3CCNC3=O)c2)c(C)n1Cc1ccco1 40108554 WMEOGGNIHVGRNW-UHFFFAOYSA-N 378.432 3.528 0 40 GHAB COC(=O)C1CCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 40160203 AVMALHBULJCIPY-UHFFFAOYSA-N 381.350 3.991 0 40 GHAB Cc1ccc(-n2ncc3c(N(CCO)Cc4ccccc4)ncnc32)cc1Cl 20661973 PEPTUFXRVLGFCW-UHFFFAOYSA-N 393.878 3.776 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2C[C@@H]2CCCO2)cc1 1364596 NEQGBXVRTVNETL-KRWDZBQOSA-N 386.521 3.628 0 40 GHAB O=C(CCCC(=O)OCC(F)(F)C(F)F)Nc1ccc(Cl)c(C(=O)O)c1 2750382 DTERUPCHDZFSAK-UHFFFAOYSA-N 399.724 3.591 0 40 GHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NCCSc1ccccc1 32779663 SLFLBKJXBPEDGQ-HNNXBMFYSA-N 392.546 3.585 0 40 GHAB COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N(C)c3ccccc3)cc2)c1C 32738555 VGTNDHBCNRIWRR-UHFFFAOYSA-N 391.471 3.871 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C 21453248 KJOHSEZUARUWRS-LSBZLQRGSA-N 383.492 3.729 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2CC)cc1 4289590 CTCQXTLDRSOKQA-UHFFFAOYSA-N 383.473 3.964 0 40 GHAB COc1ccc(CC(=O)Nc2cc(OC)ccc2NC(=O)c2ccco2)cc1 8190005 ZVILKKCSEUQCNQ-UHFFFAOYSA-N 380.400 3.730 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(COc2ccccc2)o1 6583272 LQEZERITAFWBGS-UHFFFAOYSA-N 378.428 3.844 0 40 GHAB O=C(CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1ccc[nH]1 6994676 JZHAFUWACSQCAL-UHFFFAOYSA-N 387.896 3.824 0 40 GHAB O=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc2c(c1)OCCCO2 7056750 HGPXDEVEGDDENL-UHFFFAOYSA-N 388.489 3.639 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 2636862 RGZZJTNXSNEZSK-UHFFFAOYSA-N 382.489 3.781 0 40 GHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2C)c1 8413196 YRKKSNGAFZNFSO-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 33156341 SCQXWWLJIAABDZ-UHFFFAOYSA-N 391.452 3.520 0 40 GHAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3c(F)c(F)c(F)c(F)c3F)C2=O)cc1 8644082 RIMDASQAJUQQOT-GOSISDBHSA-N 384.304 3.658 0 40 GHAB Cc1nnc2sc(-c3ccccc3NC(=O)COc3ccccc3Cl)nn12 59294072 YYOFDRZGKIKGGM-UHFFFAOYSA-N 399.863 3.832 0 40 GHAB Cc1ccc(O)c(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)n1 103342434 HJQMNWOIIJXWAB-KRWDZBQOSA-N 393.409 3.568 0 40 GHAB CCOc1ccc(NC(=O)CSc2nccc(-c3cn(CC)nc3C)n2)cc1 2731185 TUWLVAHMYQGIFZ-UHFFFAOYSA-N 397.504 3.798 0 40 GHAB Clc1cccc(-n2ncc3c(Nc4ccc5c(c4)OCCO5)ncnc32)c1 646801 GWWSADPQZRNDLW-UHFFFAOYSA-N 379.807 3.984 0 40 GHAB CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCCCCC1 22618518 ZLZLDZSFURGCPT-HXUWFJFHSA-N 388.533 3.545 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc(Br)cc1)C(=O)C2 100890760 FLEWWQHYBILAML-MEDUHNTESA-N 386.311 3.586 0 40 GHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccccn1 23074317 GOROFSLCGRMURD-UHFFFAOYSA-N 388.349 3.724 0 40 GHAB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(F)cc3)C[C@@H]21 934806 NOCOQTQWJUBFJX-IBGZPJMESA-N 381.451 3.800 0 40 GHAB COc1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1OC(F)F 103569609 WPBHMMVBWNVNJY-CJKMCJCZSA-N 381.419 3.957 0 40 GHAB Cc1ccc2nc(NC(=O)CS(=O)(=O)CCCc3ccccc3)sc2c1 42882864 UPFVIBXUPZJLDW-UHFFFAOYSA-N 388.514 3.591 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 22329027 USYCHVJFLOJNKE-SFHVURJKSA-N 388.533 3.564 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1 1457821 ZLUNBVCXWQHWKZ-LJQANCHMSA-N 382.891 3.777 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)CC1 12555871 AMJJCFVIPVXIQW-UHFFFAOYSA-N 397.475 3.920 0 40 GHAB Cc1cc(C(=O)CSc2ccc(CN3CCOCC3)cn2)c(C)n1C1CC1 12540787 JMSQKHLCRBEQKW-UHFFFAOYSA-N 385.533 3.642 0 40 GHAB CCCCN(C)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 57428353 LFIBEFOAXHIDDY-UHFFFAOYSA-N 387.530 3.798 0 40 GHAB C[C@H](C(=O)NCCC1=CCCCC1)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 105888928 SUUXLLBBSOHMBH-QZTJIDSGSA-N 381.524 3.655 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O)N1CCCCC1 106756196 YDMDBLUCDWAWFO-AQTBWJFISA-N 380.469 3.889 0 40 GHAB Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1NS(C)(=O)=O 10314505 UZQQIADMQRMLAM-UHFFFAOYSA-N 394.496 3.886 0 40 GHAB CCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(C)cc1 10326406 KXPOACPDSTXOKB-INIZCTEOSA-N 386.517 3.665 0 40 GHAB CN(Cc1cccc(F)c1)C(=O)COC(=O)CCc1ccc2ccccc2n1 24194151 ADNLMTLRXNIHSG-UHFFFAOYSA-N 380.419 3.508 0 40 GHAB Cc1cccc(N2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)c1 10262479 HJMBLPZBVLDEAL-UHFFFAOYSA-N 375.472 3.931 0 40 GHAB CCc1ccc(OCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 27747933 OKNXTWJGXMHCMZ-JOCHJYFZSA-N 382.504 3.590 0 40 GHAB COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl 3269820 QPSPPCRLTQQGLM-UHFFFAOYSA-N 383.231 3.978 0 40 GHAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccc[n+]1[O-] 45039410 GNRASQNWSBJOJT-UHFFFAOYSA-N 379.363 3.638 0 40 GHAB O=C(CN1CCC(c2cc3ccccc3[nH]2)CC1)N[C@@H]1CCOc2ccccc21 58433824 AEWJMRWJQYXZPG-OAQYLSRUSA-N 389.499 3.987 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(OC)c1 59017464 PYUXUUVWCHOFQB-SOFGYWHQSA-N 386.473 3.967 0 40 GHAB C[C@H](NC(=O)CNC(=O)NCc1ccccc1)c1ccc(Cl)c(Cl)c1 12770374 DKXVSXRHMDYBPP-LBPRGKRZSA-N 380.275 3.670 0 40 GHAB CCOc1ccc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 12883209 FPYYDUQXHUKTNI-JLHYYAGUSA-N 378.472 3.520 0 40 GHAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1N1CCCC1=O 69818159 PYKGQIOQFACEAD-UHFFFAOYSA-N 394.805 3.998 0 40 GHAB C[C@@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 3537496 VGAHNRVZEUKAQI-OAHLLOKOSA-N 389.484 3.785 0 40 GHAB CC[C@H](C)NC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc12 5100892 XWXLDTORVUOGPE-LBPRGKRZSA-N 377.423 3.823 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N3CCc4ccccc43)o2)c1 5294644 FJTNVGRRHHCORJ-UHFFFAOYSA-N 381.457 3.638 0 40 GHAB Cc1c(C)c2cc(Cl)c(O[C@H](C)C(=O)NCc3ccncc3)cc2oc1=O 5245771 RTHQIKVNACUKEJ-CYBMUJFWSA-N 386.835 3.542 0 40 GHAB CC(=O)N[C@H](C)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1F 6381979 TYLJMXALWIVQHP-LLVKDONJSA-N 388.830 3.665 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)O)c2ccccc12 65516310 JCKFUHUOZNQIKE-UHFFFAOYSA-N 389.404 3.877 0 40 GHAB CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)c1cnccn1)c1ccccc1 4571474 CNXQJTMOZOGQTO-JOCHJYFZSA-N 380.492 3.741 0 40 GHAB NC(=O)c1ccccc1OCC(=O)NCCC(c1ccccc1)c1ccccc1 4550251 DITLNWCYMFDMRO-UHFFFAOYSA-N 388.467 3.503 0 40 GHAB Cc1ccc(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1F 14255147 KNOMJPJEJZYOMN-MRXNPFEDSA-N 378.856 3.907 0 40 GHAB Cc1cccc(C(=O)N[C@H](C)C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1 6553413 WBQVLTHNMNYCEN-BEFAXECRSA-N 378.476 3.503 0 40 GHAB Oc1ccc(N2CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)cc1 6510637 IRLMJRGIISLQEM-UHFFFAOYSA-N 383.455 3.724 0 40 GHAB COc1c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)ccc(Cl)c1Cl 4660793 FTDZTURIYFQODZ-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB COc1ccc(-c2nc(NCc3ccco3)n(C(=O)c3cccs3)n2)cc1 4777291 YZLVQJMSOPBTNK-UHFFFAOYSA-N 380.429 3.909 0 40 GHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 5778593 YQRXVTGQRPUYKT-BJMVGYQFSA-N 379.334 3.909 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)c1ccc(O)cc1O 18322522 BVEONIBBGRWIAH-SECBINFHSA-N 385.199 3.598 0 40 GHAB CC(C)c1cc(C(=O)Nc2ccc(Cn3cncn3)cc2)n(-c2ccccc2)n1 71286429 JLRLEHMACJGLLD-UHFFFAOYSA-N 386.459 3.888 0 40 GHAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)c1ccc(F)c(C(F)(F)F)c1 67034441 LGLCSZFMEKBCFX-GWCFXTLKSA-N 380.341 3.852 0 40 GHAB Cc1cccn2c(=O)cc(CSc3nnc(C4CC4)n3-c3ccccc3)nc12 6985311 IBWYEPDBSADTMG-UHFFFAOYSA-N 389.484 3.753 0 40 GHAB COc1ccccc1N1CCN(c2nccn3nc(-c4cccs4)cc23)CC1 67285247 IGCGYLKCJFACGR-UHFFFAOYSA-N 391.500 3.793 0 40 GHAB O=S(=O)(NCc1ccc(CN2CCCC2)cc1)c1ccc2c(c1)CCCC2 15336075 UKXFJIXMVWDLCH-UHFFFAOYSA-N 384.545 3.640 0 40 GHAB Cc1cc(C)n2c(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)nnc2n1 7820997 WFOFEMCLXFDLSL-OAHLLOKOSA-N 395.532 3.589 0 40 GHAB O=c1c2ccccc2nc2n1CCCN2CCOc1ccc(Cl)cc1Cl 9420918 CSMGMQDMDRNKJB-UHFFFAOYSA-N 390.270 3.992 0 40 GHAB CC(=O)N[C@H](CC(=O)NCCc1ccc(C(F)(F)F)cc1)c1ccccc1 9454592 QZDZGPQHQAOFMF-GOSISDBHSA-N 378.394 3.632 0 40 GHAB COc1cccc([C@@H](O)CN(Cc2ccccc2)Cc2nc(C)ccc2O)c1 93866590 KRSGPTFGWIQJLE-QHCPKHFHSA-N 378.472 3.840 0 40 GHAB COc1cccc(C(=O)N2CCC(C(=O)Nc3cccc(SC)c3)CC2)c1 408969500 OXBKUMBKLRWHIZ-UHFFFAOYSA-N 384.501 3.908 0 40 GHAB C[C@]1(CCc2ccccc2)CCN(C(=O)CCn2ncc(=O)c3ccccc32)C1 79050061 CCHPODQKAXKOSO-DEOSSOPVSA-N 389.499 3.658 0 40 GHAB OC[C@H]1CCCN1C[C@H]1CCCN1c1ncnc2scc(-c3ccccc3)c12 79016303 RHGCYRYBGZAZFQ-QZTJIDSGSA-N 394.544 3.784 0 40 GHAB O=C(Cc1cccs1)N1CCC[C@@]2(CC1)CN(Cc1cccs1)CCO2 306128129 GQVUPCUNRYYQSB-HXUWFJFHSA-N 390.574 3.636 0 40 GHAB CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)OCC(C)C)C1=O 408601484 KEXROUBWOLUEFG-MHWRWJLKSA-N 377.462 3.711 0 40 GHAB COC(=O)c1cc2c(=O)n(CCc3c[nH]c4ccc(C)cc34)ccc2nc1C 38784237 OFVOGENEDPOBMG-UHFFFAOYSA-N 375.428 3.524 0 40 GHAB Cc1ccc(-c2noc(Cn3nc(-c4ccccc4Cl)ccc3=O)n2)cc1 38652158 ZFZDFZXJGKZPKW-UHFFFAOYSA-N 378.819 3.970 0 40 GHAB O=C(NCc1ccco1)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 408736865 JQTCMWWFUZBACL-OAQYLSRUSA-N 390.439 3.660 0 40 GHAB O=C(Nc1cccc(NC(=O)c2cc(Cc3ccccc3)[nH]n2)c1)c1ccncc1 518801632 WGGXNMRZABVEQG-UHFFFAOYSA-N 397.438 3.900 0 40 GHAB CCOc1ccc(CCC(=O)NCc2nc(-c3ccccc3)no2)cc1OCC 219280268 VYJSLEGYWLIMBB-UHFFFAOYSA-N 395.459 3.783 0 40 GHAB CC(=O)N1CCC(N2CCC[C@H](c3nccnc3Oc3ccc(C)cc3)C2)CC1 72363022 GBAWDYWPHGJTRK-IBGZPJMESA-N 394.519 3.768 0 40 GHAB Cc1cc(C)c2cc3c(nc2c1)O[C@H](C)C(=O)N(Cc1ccc2c(c1)OCO2)C3 72346421 CWSWCIPDDBAZGQ-OAHLLOKOSA-N 390.439 3.890 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)ccc3C)n2)cc1 219077310 JBAFCFUPDLQMSC-MRXNPFEDSA-N 395.459 3.788 0 40 GHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ccccc1C(F)(F)F 32854434 IZVXNMCEHOLDIG-UHFFFAOYSA-N 378.350 3.848 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)NCCCc1ccc(OC)c(OC)c1 219564000 AWYGXNIUIRDBHL-KRWDZBQOSA-N 387.476 3.619 0 40 GHAB C[C@H]1CN(Cc2ccccc2NC(=O)c2cc(-n3cccc3)ccn2)C[C@@H](C)O1 561719021 SNIQAHIEUQCCSK-HDICACEKSA-N 390.487 3.734 0 40 GHAB Cc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)cc1 72363247 YUCMQQILWXIEBR-IBGZPJMESA-N 394.519 3.625 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 44904790 DTGZTIKBISVIDO-LJQANCHMSA-N 399.443 3.673 0 40 GHAB C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(NS(C)(=O)=O)c1 41675754 RBNCOBIDYOQLKP-JTQLQIEISA-N 387.288 3.856 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2cccc3ccccc23)cc1C 223576134 SMJDESOXWZSSJZ-UHFFFAOYSA-N 385.485 3.823 0 40 GHAB CC[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccccc1)S(C)(=O)=O 222789223 JEZOFYPNFAUVLM-OAQYLSRUSA-N 396.512 3.701 0 40 GHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C 224599404 ICWVCKPPZGOCNL-PMACEKPBSA-N 378.501 3.920 0 40 GHAB CN(c1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1)S(C)(=O)=O 223862237 MZNLQWOMEJSNBS-UHFFFAOYSA-N 380.469 3.587 0 40 GHAB COc1cccc2cc(C(=O)NCCc3nc(C)cc(C(F)(F)F)n3)oc12 77101092 YHIPCKXDFARQAI-UHFFFAOYSA-N 379.338 3.531 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(F)cc1 222388892 HXRXQZYFMANXGK-INIZCTEOSA-N 388.508 3.531 0 40 GHAB c1ccc([C@@H](OC2CCOCC2)c2nc(Cn3cnc4ccccc43)no2)cc1 581462493 ZIRSFOQFUQLWAF-OAQYLSRUSA-N 390.443 3.753 0 40 GHAB c1cc(-c2ccc3nc(C4CCN(Cc5nccs5)CC4)nn3c2)ccn1 96038245 FTPRDODKTYGSJC-UHFFFAOYSA-N 376.489 3.627 0 40 GHAB Cc1ccc(CN2CCC[C@@]3(CCN(C(=O)c4cccc(N(C)C)c4)C3)C2)o1 96215904 LVZBGWABXOXCSZ-HSZRJFAPSA-N 381.520 3.782 0 40 GHAB Cc1c(NC(=O)Cc2cscn2)cccc1C(=O)N1CCc2sccc2C1 585100180 DQXOPCLZNJUGNK-UHFFFAOYSA-N 397.525 3.893 0 40 GHAB COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 253612338 JKXQEBJVZBCFGF-BPQQDWBXSA-N 390.520 3.929 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H]2CCc2cnc(-c3c(C)noc3C)cn2)cn1 257235263 GXCJMBIDKJGAFK-LJQANCHMSA-N 391.475 3.689 0 40 GHAB Cc1nc(N)sc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257342615 ZPLLQXVZXHACOI-OAHLLOKOSA-N 386.452 3.729 0 40 GHAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H]2c2cc(CO)[nH]n2)cc1 257280892 OMVIJHAXTFBTNW-OAQYLSRUSA-N 377.444 3.604 0 40 GHAB O=C(O)[C@H](c1ccc(F)cc1)N1CCC(c2nc(-c3ccccc3)no2)CC1 652410044 WEEYOLJCLWMNBO-SFHVURJKSA-N 381.407 3.881 0 40 GHAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc(C2CCNCC2)no1 662368432 APOWLFQJGUFVQO-HXUWFJFHSA-N 375.472 3.855 0 40 GHAB COc1cc(NC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)cc(Cl)c1OC 667287935 VAOUPQZSWMOYMI-RRQGHBQHSA-N 376.815 3.956 0 40 GHAB O=C(c1cccs1)N1CCC2(CC1)CN(C(=O)C1CC1)c1ccc(F)cc12 585103365 FWJICBHOFIOBDP-UHFFFAOYSA-N 384.476 3.818 0 40 GHAB NC(=O)c1c(NC(=O)c2cnc(-c3ccccc3)nc2)sc2c1CCCCC2 67657821 USQUUZTYKKJAKZ-UHFFFAOYSA-N 392.484 3.825 0 40 GHAB O[C@@H](c1cccnc1)c1ccccc1N1CCN(Cc2ccc(F)cc2)CC1 72340638 VAUCDPYHGFKQAD-QHCPKHFHSA-N 377.463 3.625 0 40 GHAB Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NC[C@@H]2CCCO2)cc1 825044 BOOJMJZLMHCDGE-XAJRUKRBSA-N 398.890 3.715 0 40 GHAB CCCN1C(=S)N[C@@H](c2ccccc2F)C(C(=O)Nc2cc(C)on2)=C1C 11202718 LCJNDVHVZYSNIX-KRWDZBQOSA-N 388.468 3.676 0 40 GHAB CCN(Cc1ccco1)c1nc(N(C)C)nc2c1CN(Cc1ccccc1)CC2 12274926 JGEOJDYABSCACC-UHFFFAOYSA-N 391.519 3.720 0 40 GHAB CCn1cc(C(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c(=O)c2ccc(C)nc21 12408402 PXSXQABEBGBSFL-HNNXBMFYSA-N 388.471 3.567 0 40 GHAB O=S(=O)(NCCc1cnn(-c2ccccc2)c1)c1ccc2ccccc2c1 12849645 HTIPSTFKPQASOB-UHFFFAOYSA-N 377.469 3.547 0 40 GHAB CCOc1ccc(NC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 13713120 VAKVQXFDJQQFPX-IBGZPJMESA-N 390.505 3.577 0 40 GHAB C[C@]12C[C@@H](Cc3ccccc3)N[C@H]1CCCCCN2C(=O)Cc1ccccn1 19713441 GYOIXQLNDXPPSO-GPXNEJASSA-N 377.532 3.759 0 40 GHAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccn1C 6356089 STYICFWLXXHLHE-DQAKUKQTSA-N 387.281 3.893 0 40 GHAB Cc1ccc(C(=O)O)cc1N1C(=O)C[C@H](Nc2ccc(Cl)c(Cl)c2)C1=O 101275043 LOMJMFCBNCBOET-AWEZNQCLSA-N 393.226 3.744 0 40 GHAB O=C(CSc1ccc(F)cc1)NCc1nc(C2CCC(F)(F)CC2)no1 575607703 ORRORXHBCFMEON-UHFFFAOYSA-N 385.411 3.910 0 40 GHAB COc1cccc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1 5334742 FFCDNEVCIKZCHW-XMMPIXPASA-N 386.451 3.885 0 40 GHAB Cc1nn(C)c(C)c1C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1888890728 SIPWBXNAYBUSIN-UHFFFAOYSA-N 383.883 3.653 0 40 GHAB O=S(=O)(NCC1(c2ccsc2)CC1)c1ccccc1OC(F)(F)F 1889040388 SBZUBQQNVRUVGP-UHFFFAOYSA-N 377.409 3.657 0 40 GHAB Cc1ccsc1CCC(=O)N1CC[C@H](Oc2ccncc2Br)C1 1776001944 UQBKOOMIOXDHPX-ZDUSSCGKSA-N 395.322 3.827 0 40 GHAB O=C(CCc1ccccc1F)N1CC[C@@H](Oc2ccncc2Br)C1 1776001924 SQKSBCIIHJWGQF-CQSZACIVSA-N 393.256 3.596 0 40 GHAB COc1ccccc1C(=O)NCCc1csc2nc(-c3cccc(C)c3)nn12 4374722 QZVFBDCMUIGCLI-UHFFFAOYSA-N 392.484 3.747 0 40 GHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cnn(-c2ccccc2)n1 8278069 WITUVBLGDVZCST-UHFFFAOYSA-N 386.440 3.896 0 40 GHAB O=S(=O)(NCc1ccc([C@H](O)c2ccccc2)s1)c1ccc(F)c(F)c1 211090874 DBZYTTVAHUTVIT-GOSISDBHSA-N 395.452 3.587 0 40 GHAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)cc1C(=O)O 16401345 HMNNOPQQRPSMLR-UHFFFAOYSA-N 383.256 3.747 0 40 GHAB CC(C)[C@@H](C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)n1cncn1 40151303 LCQHWZKXNIZZTG-FEQYIJDPSA-N 386.499 3.889 0 40 GHAB CSCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1nc(C)cs1 20716798 PZSXMLOPFKENEV-ZDUSSCGKSA-N 389.502 3.688 0 40 GHAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc2[nH]cnc2c1 11763889 ZNNVSTASHUTGLC-UHFFFAOYSA-N 389.484 3.830 0 40 GHAB C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@@H]1COc2ccccc2O1 59967436 OJQRTCMFNDTXJN-UGSOOPFHSA-N 390.277 3.726 0 40 GHAB C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 17962998 AXXGQGVSPYRUFM-NSHDSACASA-N 391.254 3.857 0 40 GHAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1C 899339 YVWFEEAETBDKPN-UHFFFAOYSA-N 382.489 3.789 0 40 GHAB CSc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1 2643404 AFXACOWZTDHDGP-UHFFFAOYSA-N 394.499 3.590 0 40 GHAB Cc1ccc2c(c1)c1nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)nc1n2C 1366130 XXNRTGYADRPQFJ-ZIAGYGMSSA-N 383.521 3.707 0 40 GHAB CC[C@H](C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 32818687 RJRIUJQONRIONQ-XZOQPEGZSA-N 379.548 3.675 0 40 GHAB CN(CCOc1ccc(Cl)cc1)CCC(=O)Nc1ccnn1C1CCCC1 32870792 XNDDBABAPXGLJD-UHFFFAOYSA-N 390.915 3.991 0 40 GHAB Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2cccc(F)c2)cc1 7050804 BWEKIQBTQFTDKI-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 7070262 IZXRYYHXRRBNMH-IAGOWNOFSA-N 388.533 3.573 0 40 GHAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 103715722 FNTYQOCNFGEYGT-OAHLLOKOSA-N 399.288 3.929 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 8169448 AOTJLLPGHSCANN-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 8335589 MXCAXGWZNVXFPA-UHFFFAOYSA-N 386.517 3.552 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c(C)c1 8414207 DVZGXOVIRGYRFM-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB Cc1cccc(N(CCCC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1 8497037 QINYQGOMHQCMIV-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB CCCc1cc(C(=O)OCC(=O)NC(=O)Nc2ccc(OC)cc2)sc1C 12175889 IQWDQNVZPLECGM-UHFFFAOYSA-N 390.461 3.523 0 40 GHAB O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1Sc1ccccc1 9184239 RZMQOSLRWYACBH-JENIJYKNSA-N 395.528 3.566 0 40 GHAB COCCn1c(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2ccccc21 104105204 MMSHLOPLBBIOIH-LUKYLMHMSA-N 387.549 3.716 0 40 GHAB COc1ccc(OC[C@H](O)CN(C)Cc2c(C3CC3)[nH]c3ncc(C)cc23)cc1 57773792 PGGQAIYTQMIECZ-QGZVFWFLSA-N 395.503 3.629 0 40 GHAB Cc1ccc(-n2ncc3c(N4CCN(Cc5ccccc5)CC4)ncnc32)cc1C 54302603 XSXRFYAGFZGJJM-UHFFFAOYSA-N 398.514 3.755 0 40 GHAB COc1ccc2[nH]cc(CCNC(=O)c3sc(-n4cccc4)nc3C)c2c1 12409262 NWXXZHJNUUYXDM-UHFFFAOYSA-N 380.473 3.705 0 40 GHAB CCCc1nc([C@H](NC(=O)COc2ccc(F)cc2F)c2ccccc2)no1 78823529 SAJNLNDYCIMMAG-LJQANCHMSA-N 387.386 3.585 0 40 GHAB CN(Cc1ccsc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 24383872 VDYXWOZYXJVODV-HXUWFJFHSA-N 378.497 3.748 0 40 GHAB O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1 3049238 CPYFAWGWQQXPOS-UHFFFAOYSA-N 392.889 3.876 0 40 GHAB Fc1cc(Br)ccc1-c1nnc2sc(-c3ccncc3)nn12 61719183 KQAADUJCLDEBAB-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB Cc1cc(=O)n2nc(CN[C@@H](Cc3ccccc3)c3ccccc3)sc2n1 24734513 ZXMJTCXFOPLBID-SFHVURJKSA-N 376.485 3.533 0 40 GHAB Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(C)cc4)CC3)ncn2)cc1 27663626 ZIRNIHAJSUQSOP-UHFFFAOYSA-N 387.487 3.799 0 40 GHAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCOc1ccc(F)cc1 111211567 UBMQVGJKWYQFBX-UHFFFAOYSA-N 378.252 3.631 0 40 GHAB CC(C)(C)OC(=O)N1CCC(C(=O)OCc2ccc(-n3cccn3)cc2)CC1 24424477 RLIXQAIVQFXGHX-UHFFFAOYSA-N 385.464 3.563 0 40 GHAB Cc1c(Cl)c(=O)oc2cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc12 2300701 GAQUMWUXAHTUSJ-JTQLQIEISA-N 381.812 3.573 0 40 GHAB C[C@H]1CCc2sc(C(=O)N(C)Cc3ccccc3N3CCOCC3)cc2C1 10900433 AZNZOYPBFMVDNX-INIZCTEOSA-N 384.545 3.982 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Cl)c(C)c3)CC2)cc1 3323888 ZYLJJAVILSHMJU-UHFFFAOYSA-N 386.879 3.579 0 40 GHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@H](C)CCc3ccco3)c12 36616234 LYNKISWUDNRMMY-CYBMUJFWSA-N 378.432 3.881 0 40 GHAB CCn1c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 36741625 DEAOSMBDIPNZCX-ZDUSSCGKSA-N 382.851 3.701 0 40 GHAB COc1cc([C@@H](C)NC(=O)Cn2nnc3ccccc32)ccc1OC1CCCC1 48340428 FKNNQGYWQPEOEE-OAHLLOKOSA-N 394.475 3.639 0 40 GHAB COc1cc(C(=O)NC2CCN(C(C)C)CC2)ccc1OCc1ccccc1 12821496 KZKKYFIGPMPJPY-UHFFFAOYSA-N 382.504 3.877 0 40 GHAB O=C(CCc1nnc(-c2ccsc2)o1)N1CCC(c2ccc(O)cc2)CC1 12912987 NQVRANHJRBWIPU-UHFFFAOYSA-N 383.473 3.843 0 40 GHAB O=C1NCc2cccc(NCc3ncc(-c4ccccc4Br)o3)c21 172870694 KIXAEVGIZIJOMO-UHFFFAOYSA-N 384.233 3.960 0 40 GHAB Cc1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c(O)c1 17410097 RDKVLXAEUGFYAW-UHFFFAOYSA-N 388.423 3.869 0 40 GHAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(CCO)Cc4ccccc4)[C@H]3C=C12 4045492 OZOHJRMQAJVXAU-ZWADJFLLSA-N 383.532 3.795 0 40 GHAB biogenic Cc1ccccc1[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 64745349 VCDXCPSZVDAHRL-MGPUTAFESA-N 384.426 3.990 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(O)c2)N1Cc1ccco1 5150072 QMUOGUWCCJAGOB-LJQANCHMSA-N 391.354 3.976 0 40 GHAB CCOc1ccccc1C(=O)OCC(=O)NCCSc1ccc(Cl)cc1 5281202 DVEMWCUESNAIPJ-UHFFFAOYSA-N 393.892 3.804 0 40 GHAB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Oc2ccccc2)c1 4481593 HPDDJJUYTGSGFE-UHFFFAOYSA-N 398.396 3.615 0 40 GHAB Cc1noc(C)c1CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 14238966 IKOSCZARGYDYPD-UHFFFAOYSA-N 384.457 3.900 0 40 GHAB CN(Cc1nnc(-c2ccc(Cl)cc2)o1)S(=O)(=O)/C=C/c1ccccc1 6590394 BCVJQPMAKWSXKS-VAWYXSNFSA-N 389.864 3.823 0 40 GHAB C[C@H](CC(=O)NCc1ccccn1)CC(=O)Nc1cccc(Br)c1 4682618 XOQUMMANAWZZOP-CYBMUJFWSA-N 390.281 3.515 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O)C(=O)O 6624183 LFXJQJAFJZHZLF-DGIBIBHMSA-N 399.443 3.622 0 40 GHAB biogenic Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)c(C)n1Cc1ccco1 6788533 JNFJXEPXEXGUDR-UHFFFAOYSA-N 398.410 3.869 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)N1CCCC1 4835020 QXARYDKMOSBDFZ-UHFFFAOYSA-N 379.869 3.769 0 40 GHAB Cc1cc(C)cc(OCCN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)c1 6849630 FGRBPOJMUHROJQ-QHCPKHFHSA-N 378.472 3.638 0 40 GHAB COc1ccc(-c2cc3c(=O)n(Cc4ccc(F)c(F)c4)ccn3n2)cc1OC 67260828 QZOMNQVMXLCOIC-UHFFFAOYSA-N 397.381 3.507 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(=O)OC 9052955 CJJUBXQHWLHSMO-DYVFJYSZSA-N 389.521 3.773 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc1 7483999 RFMYAAVHDJULHJ-UHFFFAOYSA-N 383.231 3.891 0 40 GHAB O=C(c1ccc(F)c(C(F)(F)F)c1)N(C[C@H]1CCCO1)[C@H]1CCSC1 68332513 NFLSUAYHZIHYDL-QWHCGFSZSA-N 377.403 3.971 0 40 GHAB NC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1cccs1)c1ccc(Cl)cc1 7986024 APMZPGCDAWISKI-HUUCEWRRSA-N 377.897 3.865 0 40 GHAB CCOc1cc(C(=O)N(C)CC(=O)Nc2cccc3ccccc23)ccc1OC 7990374 CHMNOHVLLAFVTJ-UHFFFAOYSA-N 392.455 3.958 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 7947289 UQGLUEANKMUXFA-CYBMUJFWSA-N 398.937 3.749 0 40 GHAB CN(Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@@H]1COc2ccccc2O1 16628397 SRZSMLPTBZGQAJ-GOSISDBHSA-N 377.440 3.554 0 40 GHAB COc1cc(Cl)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Cl 8131867 YUISJGWPRHLYEU-UHFFFAOYSA-N 395.352 3.590 0 40 GHAB CCc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc1 16751349 NOEOKUWQYADGFM-LJQANCHMSA-N 377.440 3.510 0 40 GHAB CN(C(=O)c1ccccc1C(=O)O)c1ccccc1C(=O)NC1CCCCC1 8375232 HQYGFUUZGQNWQF-UHFFFAOYSA-N 380.444 3.724 0 40 GHAB Cc1ccc(Cn2nccc2NC(=O)c2cccc(OC[C@H]3CCCO3)c2)o1 84195463 OXFDSKRMLPPSHQ-LJQANCHMSA-N 381.432 3.643 0 40 GHAB CC(=O)N[C@H](CC(=O)NCc1ccccc1OC(F)(F)F)c1cccs1 9735124 ZYCVOJBDHOPHCV-CYBMUJFWSA-N 386.395 3.530 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)N(C)c3ccccc3)c12 97134670 SWRXJKQONPBTRP-ZDUSSCGKSA-N 379.416 3.617 0 40 GHAB COC(=O)[C@@H](C)[C@@H](NCCCc1nc(-c2ccccc2)no1)c1ccccc1 79025884 SQQFSAMLVNNPLK-OXJNMPFZSA-N 379.460 3.809 0 40 GHAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2ncccc2c1 79192417 OBXGNYNHWMFVBS-RXVVDRJESA-N 387.391 3.797 0 40 GHAB biogenic Cn1ccnc1COc1ccc(CN[C@H](CN2CCCC2)c2ccccc2)cc1 95352958 IIQLZRAPLCCEQS-HSZRJFAPSA-N 390.531 3.926 0 40 GHAB Cc1cc(N[C@H](CC(C)C)C(=O)OC(C)(C)C)n2nc(C(F)(F)F)nc2n1 95450187 SHUKNWNUFPQKAT-LLVKDONJSA-N 387.406 3.620 0 40 GHAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccn2)cc1 95959627 NOTXNUQHJMNNCV-CYBMUJFWSA-N 393.896 3.550 0 40 GHAB O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCN(Cc2ccc(Cl)s2)CC1 89774937 AENGTHJNJZCLRO-DLBZAZTESA-N 378.900 3.989 0 40 GHAB CCOc1ccccc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 113968586 YRUNFINYBAUCLA-UHFFFAOYSA-N 390.505 3.579 0 40 GHAB COc1cccc(-c2csc3ncc(C(=O)NC4CCCCCC4)c(=O)n23)c1 64787907 LHGTUQRUDPJNMS-UHFFFAOYSA-N 397.500 3.884 0 40 GHAB CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cccc(Cl)c21 32094908 JQVWPOWBSLJRKH-FQEVSTJZSA-N 378.819 3.780 0 40 GHAB Cc1ccccc1C(=O)N1CC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306143730 YKRDUFJIXZBJCH-IBGZPJMESA-N 383.455 3.729 0 40 GHAB CC(C)CCn1cnc2ccc(NC(=O)Cc3ccc4c(c3)OCC4)cc2c1=O 524735738 VTEZNVDXBWUVID-UHFFFAOYSA-N 391.471 3.559 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)C1 33005376 MCWGJXZDLJTUNQ-HZPDHXFCSA-N 380.488 3.775 0 40 GHAB CN1CCN(C2(CNC(=O)c3ccc(Cl)cc3Cl)CCCCC2)CC1 32501869 HZHVXTDYWAXGSL-UHFFFAOYSA-N 384.351 3.674 0 40 GHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCCCCCC1 32968978 UYMHZIKVWHUYKH-KRWDZBQOSA-N 382.957 3.984 0 40 GHAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(Nc2ccccc2)cc1 32720172 OAANFYHCKILWMF-WOJBJXKFSA-N 391.471 3.934 0 40 GHAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 72401602 KQURYBOREYMFMZ-ZDUSSCGKSA-N 398.875 3.850 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 223044320 PQWLLNIYMJSICD-LJQANCHMSA-N 382.504 3.707 0 40 GHAB CCOC(=O)C1(c2ccc(NC(=O)c3ccc4c(c3)nc(CC)n4C)cc2)CC1 225895265 WGZRCXHLHZZEQB-UHFFFAOYSA-N 391.471 3.983 0 40 GHAB Cc1cc2nc(COc3ccc(NC(=O)c4cccc(F)c4)cc3)cc(=O)n2o1 41085653 ALVNYTDFWXTFEI-UHFFFAOYSA-N 393.374 3.566 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1Cl 220360915 LOUAXZIUMAKEKF-HNNXBMFYSA-N 398.956 3.810 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 220350776 LMZXHMZBNUSXBW-GJZGRUSLSA-N 394.924 3.680 0 40 GHAB COc1cccc(OCCNC(=O)c2cc(Br)ccc2Cl)c1 225074921 VTFASFNFENWZPR-UHFFFAOYSA-N 384.657 3.920 0 40 GHAB O=C(Nc1cc(F)c(F)cc1N1CCCCC1)N(CCO)[C@H]1CCCSC1 571099231 JSPBXECQLYVIAJ-AWEZNQCLSA-N 399.507 3.677 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(Cl)c(C)c1 222954122 FUXRYPZHFMSUJU-LJQANCHMSA-N 388.895 3.581 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(Cl)c(C)c1 222954060 FUXRYPZHFMSUJU-IBGZPJMESA-N 388.895 3.581 0 40 GHAB CSCC[C@@H](C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)n1cccc1 575443154 LECFNUZNDCXEPE-SFHVURJKSA-N 392.952 3.946 0 40 GHAB COC(=O)c1cc(NC(=S)N[C@H](C)COc2ccccc2)ccc1Cl 225783224 FKSPXZPSNMYJLG-GFCCVEGCSA-N 378.881 3.881 0 40 GHAB CN(c1cccc(C(=O)NCc2ccccc2F)c1)S(=O)(=O)c1ccccc1 224499756 ATORHBNZNFMIMX-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB Cc1ccc(OCCNS(=O)(=O)Cc2c(F)cccc2Cl)cc1Cl 224152098 FWGJBPISAOVADW-UHFFFAOYSA-N 392.279 3.939 0 40 GHAB Cc1cccc(OCCNC(=O)c2ccc(I)cc2)c1C 223902488 QDKHNBCHOINNIW-UHFFFAOYSA-N 395.240 3.717 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 225715776 SEEYVMZIAPRANC-OAQYLSRUSA-N 382.504 3.570 0 40 GHAB O=C(O)[C@H](c1ccsc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 582731020 ZFWJNKJSZJLZGN-CJNGLKHVSA-N 387.436 3.943 0 40 GHAB COc1ccc2cc([C@@H]3SCC(O)=Nc4c3cnn4C(C)C)c(=O)n(C)c2c1 95480731 ODIWFWVMCMNABY-SFHVURJKSA-N 398.488 3.749 0 40 GHAB COc1ccc([C@@H]2CCCN2[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 245237012 BGAXKRSESCBXSC-PMACEKPBSA-N 398.890 3.813 0 40 GHAB O=C(c1cc(-c2cccs2)n[nH]1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 253471687 DYGNCFQGJMYOTI-HUUCEWRRSA-N 391.456 3.545 0 40 GHAB CCCCC[C@]1(O)CCN(C(=O)c2ccc(O)cc2)C[C@@H]1Oc1ccccc1 257321914 WDVHSMLALCQTJA-GMAHTHKFSA-N 383.488 3.997 0 40 GHAB C[C@H](O)c1cccc(NC(=O)CCCCC(=O)Nc2cccc([C@@H](C)O)c2)c1 255187732 GMAGTDWBGPKONC-IYBDPMFKSA-N 384.476 3.931 0 40 GHAB CCN(c1ccc(C(=O)N2CCC[C@H](C)C2)cc1)S(=O)(=O)c1ccccc1 260561472 GCFPWCQFUFNECX-KRWDZBQOSA-N 386.517 3.774 0 40 GHAB C=CC(=O)Nc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 1638869217 IYBQZUMEXDPSNF-SFHVURJKSA-N 388.826 3.817 0 40 GHAB Cc1nc2ccc(NC(=O)NC3(c4cccc(OC(F)(F)F)c4)CC3)cn2n1 654060941 ZLSSVTOPDWEWNF-UHFFFAOYSA-N 391.353 3.747 0 40 GHAB O=C(c1ccncc1)N1CCC[C@@]2(CCCN2c2ncnc3ccsc23)CC1 585100023 CKVZQTIAZNBCCL-OAQYLSRUSA-N 393.516 3.752 0 40 GHAB CC(=O)Nc1ccc(NC(=O)N2CCC(c3ccccc3C(=O)O)CC2)cc1 669494302 MBUOCVRKQFQOTR-UHFFFAOYSA-N 381.432 3.755 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)c3ccccc3)cc2c1 790361 NNWCGEGGDJPDNL-HXUWFJFHSA-N 376.456 3.658 0 40 GHAB COc1ccccc1NC(=O)CN1CCC(c2ccc(OC)c(OC)c2)CC1 12113966 WPGOCNGMSMDPEP-UHFFFAOYSA-N 384.476 3.531 0 40 GHAB COc1cc(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)cc(OC)c1OC 12115911 PHPKXXDUKZKULF-UHFFFAOYSA-N 396.369 3.923 0 40 GHAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 12221932 NIVZWCVAFNONNX-UHFFFAOYSA-N 394.500 3.633 0 40 GHAB CCCOc1cc2c(cc1CN1CCC(O)(c3ccc(F)cc3)CC1)OCO2 12363609 ZIHISPTYIQZNBL-UHFFFAOYSA-N 387.451 3.827 0 40 GHAB CC(C)CN(C(=O)/C=C/c1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 12756492 LVARAUZUQOOVGE-UZYOAWRESA-N 390.332 3.678 0 40 GHAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccccc4C)CC3=O)c2c1 12866507 AJSPMQPZXUYDBT-SFHVURJKSA-N 375.472 3.814 0 40 GHAB Cc1csc2nc(COc3ccc(NC(=O)c4ccccc4)cc3)cc(=O)n12 13368375 WFTFHKDJQHNHNV-UHFFFAOYSA-N 391.452 3.896 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CC(C)(C)CC(=O)O)C1 15673899 YAYPFVMGQHXPBU-QZTJIDSGSA-N 395.503 3.908 0 40 GHAB biogenic,in-vitro Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[C@H]3C=CCC3)CC1)N2 19128580 QUQJNQJVXVXHDK-BHYGNILZSA-N 378.467 3.777 0 40 GHAB CN1CCN(C(=O)C2CCC2)C[C@@H](Cc2ccccc2-c2cccc(F)c2)C1=O 19589577 MDBQMGCVECYGAM-HXUWFJFHSA-N 394.490 3.752 0 40 GHAB CCn1nc([C@@H](C)C(=O)NCC(C)(C)c2cccc(F)c2)c2ccccc2c1=O 19716934 KKKWNRQUGLPCIR-OAHLLOKOSA-N 395.478 3.753 0 40 GHAB Cc1nc([C@H]2CCCN2C(=O)C2CCCC2)ncc1C(=O)Nc1ccccc1 19753525 DTVKVRCESUYWFP-LJQANCHMSA-N 378.476 3.891 0 40 GHAB Cc1ccccc1OC1CCN(CC(=O)Nc2ccc(-n3ccnc3)cc2)CC1 19657958 IBSKUVYJNQEITK-UHFFFAOYSA-N 390.487 3.663 0 40 GHAB Cc1cc(OC[C@@]2(O)CN([C@H]3CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)ccc1F 2037949809 YSXQHMBPWNRPSV-CFFRYYMNSA-N 393.543 3.916 0 40 GHAB CCSc1nc2ccsc2c(=O)n1C[C@@H]1CC(=O)N(Cc2ccccc2)C1 2087151715 VBOAKUPFXHBDPU-OAHLLOKOSA-N 399.541 3.619 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 7573858 WSFSKDXRCOHQBP-UHFFFAOYSA-N 386.810 3.950 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NCc1ccccc1Cl 17297399 IVQXMHJQKIRTPO-UHFFFAOYSA-N 397.862 3.983 0 40 GHAB COc1ccc(CCNC(=O)NC[C@@H](O)c2ccc(-c3cccs3)o2)cc1 1775967622 YJDRSTTYUUSQKE-MRXNPFEDSA-N 386.473 3.592 0 40 GHAB CSc1ccccc1C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 44006411 OOZJHPPOQACOOM-UHFFFAOYSA-N 386.492 3.830 0 40 GHAB C[C@@](O)(CNS(=O)(=O)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1 77184236 XYILZSSMPKTABK-OAQYLSRUSA-N 385.460 3.679 0 40 GHAB CC(C)c1ccc(Nc2nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)s2)cc1 5624485 WFLWXWROTIJRHR-CYBMUJFWSA-N 393.538 3.717 0 40 GHAB CC(C)(C)[C@H](NC(=O)NCc1ccc(N2CCOCC2)nc1)c1cccs1 40150023 SPUIUVLSXMLYCA-GOSISDBHSA-N 388.537 3.566 0 40 GHAB CCCCn1c(=O)c(C(=O)Nc2nnc(C(C)C)s2)c(O)c2ccccc21 100512710 FBRDKGJFQONYFQ-UHFFFAOYSA-N 386.477 3.734 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1 20368486 ZDVJVPJZKJYWLC-UHFFFAOYSA-N 389.499 3.662 0 40 GHAB CCc1ccccc1NC(=O)CNC(=O)c1ccccc1OCc1ccncc1 32083532 ZOYTXRYGDVYGEH-UHFFFAOYSA-N 389.455 3.592 0 40 GHAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)N1CCC[C@@H]1c1ccsc1 45987290 HOAFCQGSQCTYKK-QGZVFWFLSA-N 391.518 3.657 0 40 GHAB O=C(CNC(=O)C1CCCCC1)OCC(=O)c1ccc(-c2ccccc2)cc1 2636399 GITCWBSPOQDMBY-UHFFFAOYSA-N 379.456 3.776 0 40 GHAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)c1ccc2c(c1)OCCO2 2617241 YSRDKVNXRJMVAB-UHFFFAOYSA-N 396.255 3.782 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)N1CCCCC1 779232 XBVXJJVTQWUMRH-UHFFFAOYSA-N 397.479 3.573 0 40 GHAB COC(=O)[C@@H](C)Sc1nnc(COc2ccccc2)n1-c1ccc(C)cc1 887629 BRATXIIJOIELKI-OAHLLOKOSA-N 383.473 3.808 0 40 GHAB COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)cc1 1330058 OMFBRRBEXDSIJC-SFHVURJKSA-N 387.867 3.661 0 40 GHAB O[C@H]1CCCN(c2c3c(nc4cc(-c5ccc(Cl)cc5)nn24)CCCC3)C1 1341509 CQILNDNZQIGOTP-INIZCTEOSA-N 382.895 3.890 0 40 GHAB O=C(NCCC(=O)N1CCCC1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 32716759 NZDLBYNHBCPOHP-UHFFFAOYSA-N 380.366 3.708 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)c1cn(-c2cccc(Br)c2)nn1 32815555 IFJUKIZCYKXSJR-LBPRGKRZSA-N 383.249 3.621 0 40 GHAB COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 32863151 PJGINCGENCJWRQ-QGZVFWFLSA-N 395.503 3.669 0 40 GHAB O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 4475771 NBQDJJCJUAQUHE-UHFFFAOYSA-N 398.956 3.580 0 40 GHAB CCc1ccc(N2C(=O)C[C@H](c3cccc(OC)c3OC)C3=C2COC3=O)cc1 4944650 PHTBHBFLYCFDJG-QGZVFWFLSA-N 393.439 3.598 0 40 GHAB Cc1nc(NC2C3CC4CC(C3)CC2C4)c2nnn(Cc3ccc(F)cc3)c2n1 4985559 DTUSPUCSOYVNDH-UHFFFAOYSA-N 392.482 3.954 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)o2)cc1 6595753 YFFRKJLLMFXPMS-UHFFFAOYSA-N 385.445 3.875 0 40 GHAB Cc1c(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)c2ccccc2n1C 6959666 SGGFBAXGNKSHSF-MFOYZWKCSA-N 386.473 3.722 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1C 8414745 FYGVGMXTNHUZRY-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CCCCn1nnnc1COC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 22000536 AJNKASJKQWPTTL-UHFFFAOYSA-N 391.884 3.916 0 40 GHAB COc1ccc(CCNC(=O)Cc2csc(COc3ccccc3)n2)cc1 33326168 HPKIRULPUQTESW-UHFFFAOYSA-N 382.485 3.632 0 40 GHAB biogenic Cc1nc(Nc2ccc3c(c2)OCCO3)c2cnn(CCc3ccccc3)c2n1 646859 NFSRTHVATZEKTJ-UHFFFAOYSA-N 387.443 3.892 0 40 GHAB O=S(=O)(CCNc1nc(-c2ccncc2)nc2ccccc12)c1ccccc1 53573387 MRTOBSZMFDZBSN-UHFFFAOYSA-N 390.468 3.578 0 40 GHAB O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@H](c2cccc(O)c2)O1 710011 PFXLZTNQSFWTIG-GMAHTHKFSA-N 391.423 3.943 0 40 GHAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1OCc1ccccc1 727588 IZQWYRTXQNCJNC-HXUWFJFHSA-N 380.444 3.799 0 40 GHAB O=C(COC(=O)c1ccc(C2SCCS2)cc1)NCc1cccs1 9792154 RCTHRWLTDDNFIJ-UHFFFAOYSA-N 379.528 3.700 0 40 GHAB Cc1nc(SCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)oc1C 47558933 ASBRHXZGGJUJCL-UHFFFAOYSA-N 388.489 3.740 0 40 GHAB COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1OC 20609921 OZNYHURZHNEOOE-UHFFFAOYSA-N 388.427 3.998 0 40 GHAB CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCN2CCOCC2)cc1 12521811 UMCGUEQTUSZABJ-OAQYLSRUSA-N 397.544 3.697 0 40 GHAB O=C(Nn1cnc2ccccc21)c1cnn(-c2ccccc2F)c1-n1cccc1 24448737 KIKVFCABKSZCEJ-UHFFFAOYSA-N 386.390 3.536 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1 1273472 ZLNAEBDHOVVFIM-INIZCTEOSA-N 382.489 3.605 0 40 GHAB aggregator O=C1CSc2ccc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)cc2N1 12593245 YRHLPBBUNHSKFI-UHFFFAOYSA-N 393.468 3.892 0 40 GHAB CCOc1cc(/C=C(/NC(=O)C2CCCCC2)C(=O)O)ccc1OC(F)F 24829394 FWLZJBXPILCVAF-GXDHUFHOSA-N 383.391 3.809 0 40 GHAB CC(=O)N(c1nnc(SCc2cc(=O)oc3cc(C)ccc23)s1)C1CC1 25771750 WVGKSICPCLNCCT-UHFFFAOYSA-N 387.486 3.761 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3n2)cc1 58378697 OPFLNTLFUBOTLJ-AWEZNQCLSA-N 383.473 3.564 0 40 GHAB Cc1ccc(CNC[C@H]2CN(c3ccc(C(F)(F)F)cn3)[C@H]3CCN2C3)s1 108367165 ONASCAHBETVHEP-HOTGVXAUSA-N 396.482 3.523 0 40 GHAB O=C(CCOc1ccccc1-c1ccccc1)Nc1ccc(-n2cncn2)nc1 24921012 NERJGYJIRWIVER-UHFFFAOYSA-N 385.427 3.737 0 40 GHAB CSc1ncccc1C(=O)OCC(=O)Nc1ccc(C)cc1Br 3345308 WGZWPTQCANEWRB-UHFFFAOYSA-N 395.278 3.670 0 40 GHAB CCc1cccc(C)c1NC(=O)Cn1c(=O)n([C@@H](C)CC)c(=O)c2ccccc21 44840313 HFRYUYAXIGASON-INIZCTEOSA-N 393.487 3.644 0 40 GHAB Cc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CO[C@@H](C(C)C)C4)cc1 2248599 TXICBMHRTHLCFK-MRXNPFEDSA-N 394.500 3.809 0 40 GHAB CCCNC(=O)c1c(N)n(-c2cc(C)ccc2OC)c2nc3ccccc3nc12 2437843 GHPPNRLUXICBFP-UHFFFAOYSA-N 389.459 3.613 0 40 GHAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 11205691 PTZGOWNISMOPRC-NRFANRHFSA-N 398.528 3.742 0 40 GHAB COC(=O)COc1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1Cl 83891310 UCMGCPSZEUAPPS-UHFFFAOYSA-N 392.820 3.861 0 40 GHAB O=C(COC(=O)c1ccc(Br)s1)Nc1cccc2ncccc12 11474000 JVGRJOMCJSAJSR-UHFFFAOYSA-N 391.246 3.854 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCSCC2)cc1 48302711 PQPDIVVUMIPHQD-FQEVSTJZSA-N 398.528 3.982 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 12927733 CFPZJTBFCFDXCE-OAHLLOKOSA-N 376.909 3.613 0 40 GHAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F 8746399 RJBWXKKETIAJGS-HXUWFJFHSA-N 395.459 3.780 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)CCc1nc2ccccc2s1 9595349 IWMCFCQWPCULET-UHFFFAOYSA-N 395.528 3.724 0 40 GHAB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 4357331 FUVNCIRLFOBUSV-UHFFFAOYSA-N 396.350 3.920 0 40 GHAB O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1cccs1 14068789 HZKZCKQORMILLV-AWEZNQCLSA-N 383.300 3.976 0 40 GHAB COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(Cl)cc1 5343996 OQZIEEHFTSULOX-LJQANCHMSA-N 383.835 3.627 0 40 GHAB CC1CCN(C(=O)CSc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)CC1 14249546 XXVNSGHGDJTEAM-CYBMUJFWSA-N 379.457 3.699 0 40 GHAB CN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 6566332 ABLACBIWNFFMLI-UHFFFAOYSA-N 375.457 3.571 0 40 GHAB CC[C@H]1CCc2c(sc3nc(Cc4nc5ccccc5n4C)[nH]c(=O)c23)C1 6550577 LGCNESWLTDPPPW-LBPRGKRZSA-N 378.501 3.977 0 40 GHAB COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(C)CC2)c1 4812430 DJJSHJVVVOQEAO-HXUWFJFHSA-N 393.487 3.669 0 40 GHAB COc1cc2c(cc1OC)CN([C@@H](C)C(=O)Nc1ccc(F)c(F)c1F)CC2 6839721 RPEWTVVLNVHHOT-NSHDSACASA-N 394.393 3.506 0 40 GHAB COc1ccc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccc2)cc1 306124527 BSTPALZEQXEODV-DHIUTWEWSA-N 387.483 3.578 0 40 GHAB Cc1c(CC(=O)Nc2cccc([C@H](C)O)c2)c(=O)oc2cc(O)c(Cl)cc12 9530505 CZAOXLXXLZXXIN-NSHDSACASA-N 387.819 3.695 0 40 GHAB COc1cccc(-n2cnnc2S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 7371299 BWOAXTIIVBJTPW-AWEZNQCLSA-N 398.488 3.787 0 40 GHAB CCOC(=O)Cn1c(C)c(/C=C2/N=C(c3ccccc3)OC2=O)c2ccccc21 408816594 LWQPKANMEBCXNW-CPNJWEJPSA-N 388.423 3.857 0 40 GHAB CC[C@@H]1CCCCN1C(=O)COc1ncnc2ccc(Br)cc12 7779888 YRFHFAYZJZCVEF-CYBMUJFWSA-N 378.270 3.562 0 40 GHAB COc1ccc(C2=NN(C(=O)CN(C)Cc3ccco3)[C@H](c3ccco3)C2)cc1 8197738 QAUQRZLJMUSIPF-FQEVSTJZSA-N 393.443 3.691 0 40 GHAB CCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1 8290530 KYYGDDQYPLMUNI-HXUWFJFHSA-N 386.517 3.994 0 40 GHAB CN(C(=O)Cn1cnc2sccc2c1=O)c1ccc(Oc2ccccc2)cc1 69349626 MWMVWPRFLNONEM-UHFFFAOYSA-N 391.452 3.913 0 40 GHAB COc1c(C)cnc(CN2CCC(N(C)CCc3scnc3C)CC2)c1C 91708812 LVCXASURSBPLMD-UHFFFAOYSA-N 388.581 3.611 0 40 GHAB COc1ccc(C2(C(=O)NCCn3ccc4c(C)cccc43)CCOCC2)cc1 72325774 NTNVQPJPKXZJIC-UHFFFAOYSA-N 392.499 3.823 0 40 GHAB biogenic CSc1nc(=O)[nH]c(C)c1C(=O)Nc1cccc(OCc2cccc(F)c2)c1 78985144 POUXMYDYGMYZLG-UHFFFAOYSA-N 399.447 3.771 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(F)cc4)cc3)C(=O)[C@H]2C1 408684561 PCDTYPFMCOIRHF-OALUTQOASA-N 378.403 3.924 0 40 GHAB Cc1ccsc1C(=O)N1CC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306134975 ODMUJNUFJVZLDF-QGZVFWFLSA-N 389.484 3.791 0 40 GHAB O=C(NCc1ccncc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408970379 GZSPPWKQUSLVSB-UHFFFAOYSA-N 392.286 3.557 0 40 GHAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 408584890 WFPAXCLAIMFNQB-OAHLLOKOSA-N 375.494 3.504 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c(C)c1 38752903 ATSLTEDBBFJXTN-ZDUSSCGKSA-N 380.897 3.819 0 40 GHAB CC(C)CN1C(=O)S/C(=C\c2cn(CC(=O)NC3CC3)c3ccccc23)C1=O 409128408 FIWCKIBVTOWSPC-NVMNQCDNSA-N 397.500 3.612 0 40 GHAB Cc1c(CC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)nnn1-c1ccccc1 532245615 KOONSTXQCFRUDJ-IBGZPJMESA-N 394.450 3.676 0 40 GHAB COc1ccccc1CCNC(=O)CSCCOc1ccc(Cl)cc1 32042159 BGJYEIYVRUBUAC-UHFFFAOYSA-N 379.909 3.820 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2cccc(OC)c2)no1 219371229 SRMMTGWCZKPOCT-SFHVURJKSA-N 395.459 3.836 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3nc4ccccc4s3)[nH]2)cc1 123781047 ZYRREXAJXWKEQF-UHFFFAOYSA-N 397.485 3.821 0 40 GHAB O=C(COc1ccc(Br)cc1C(=O)O)Nc1cccc(Cl)c1 217718357 BKARQMLZILTWJL-UHFFFAOYSA-N 384.613 3.818 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(N2CCCC2=O)cc1 219204861 PBQSISWZGKTKGJ-IBGZPJMESA-N 394.471 3.854 0 40 GHAB COc1ccccc1CCn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387682 RNVDTQQNQBMCKC-UHFFFAOYSA-N 396.450 3.963 0 40 GHAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N4C[C@@H]5[C@H]6C=C[C@@H](O6)[C@H]5C4)cc3)o2)c1 564776896 FEWXHIPJNVXBFA-UWHLTILDSA-N 399.450 3.737 0 40 GHAB COc1cc(C(=O)Oc2ccc3ccccc3c2)ccc1OCC(=O)NC(C)C 40140178 WVOJWTRIMYJRSB-UHFFFAOYSA-N 393.439 3.971 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225660584 JRZUQSVMMPOSOD-UHFFFAOYSA-N 399.443 3.953 0 40 GHAB Cc1ccc(CN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224206117 CRDZJWVXWINFLK-SFHVURJKSA-N 384.495 3.866 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 223044097 VKNXWHLYKOANDR-OAQYLSRUSA-N 382.504 3.707 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)cc1 225379332 STTFYBYQCDOXGT-CYBMUJFWSA-N 395.286 3.536 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1Cl 223092407 XEJDALPQUOXLPN-SFHVURJKSA-N 388.895 3.581 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 225245117 GLEVMXPZGSUDLD-CVEARBPZSA-N 388.458 3.839 0 40 GHAB CCSc1nnc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)s1 224838380 IRPBNDAHFCIEQK-UHFFFAOYSA-N 376.551 3.809 0 40 GHAB CC(C)n1c2ccccc2c2c1cc(C(=O)N1CCCCC1)n2S(C)(=O)=O 96146388 BDJNGOSADHUXCD-UHFFFAOYSA-N 387.505 3.611 0 40 GHAB O=C(CC1CC1)N1CCC2(CC1)C[C@@H](CC(=O)N1CCCC1)c1ccccc12 96242105 MCFMUTCEPVKXAC-LJQANCHMSA-N 380.532 3.847 0 40 GHAB COc1ccc(OC)c(NC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)c1 243244919 KOUSWZLRFFYUIY-UHFFFAOYSA-N 382.460 3.503 0 40 GHAB CC[C@@H](O)Cn1nc(-c2cc(C(=O)O)ccc2OC)cc1-c1cccc(F)c1 257224411 FBSFTLLHFKIUNJ-MRXNPFEDSA-N 384.407 3.834 0 40 GHAB Cc1cc(Nc2cc(CC3CCN(C(=O)C4CCCCC4)CC3)ncn2)[nH]n1 257224469 FBYWOOSQOWCVFZ-UHFFFAOYSA-N 382.512 3.613 0 40 GHAB Cc1cc(CC2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)ccn1 257251561 JRGFHLVZBUKHDH-UHFFFAOYSA-N 378.516 3.920 0 40 GHAB CO[C@H](C(=O)Nc1ccc2c(Cl)ccc(Br)c2n1)[C@H]1CCOC1 622094280 HOOOJOQDNGFQEY-VFZGTOFNSA-N 399.672 3.641 0 40 GHAB Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1cn(-c2ccccc2)cn1 651578047 BJQPZSGRTNRLCQ-IBGZPJMESA-N 385.471 3.835 0 40 GHAB Cc1ccccc1CN1CCC(NC(=O)CN(C)C2CCC(C)(C)CC2)CC1 1167658435 GWUZKSBDYXPWRD-UHFFFAOYSA-N 385.596 3.976 0 40 GHAB Cc1ccc(C(=O)c2ccc(CC(=O)N[C@H]3CCCc4cnccc43)n2C)cc1 1177246718 YCKBCQJKAFPACC-NRFANRHFSA-N 387.483 3.696 0 40 GHAB Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)c1 1212463439 SBRIDWUWYOUEMF-GOSISDBHSA-N 375.877 3.814 0 40 GHAB COc1ccccc1-c1cc(C(=O)Nc2ccc(N3CC[C@H](OC)C3)cc2)[nH]n1 96122309 QIGTUIURUUOCDK-KRWDZBQOSA-N 392.459 3.563 0 40 GHAB COCCN1CCC[C@]12CCCN(C(=O)c1cc3cccc(OC)c3o1)CC2 585100212 HRBNSSOKTYVHJH-QFIPXVFZSA-N 386.492 3.549 0 40 GHAB CCN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)Cc1ccsc1)c1ccccc1O2 72327859 PJSWSQNYJOBTAS-AVRDEDQJSA-N 398.528 3.702 0 40 GHAB CC(C)[C@H](Oc1ccc(Br)cc1)c1noc([C@@H]2CCN(C)C2=O)n1 671670763 RRKDTTPJHSUUON-KBPBESRZSA-N 394.269 3.554 0 40 GHAB CCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1Br 5002868 QVROYWLYFKFIGF-OAHLLOKOSA-N 381.270 3.810 0 40 GHAB Cc1ccc(-c2nc(C(=O)OCC(=O)N3CCc4ccccc43)cs2)cc1 5564401 ROVJQXVBDJOFHI-UHFFFAOYSA-N 378.453 3.865 0 40 GHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2c(F)cccc2F)NC(=S)N1 5835060 VDFMWGYSZSYGMF-INIZCTEOSA-N 377.391 3.535 0 40 GHAB CCC(CC)C(=O)N[C@@H]1CC(C)(C)Cc2nc(N3C[C@H](C)O[C@H](C)C3)ncc21 12241882 QAJSTZKCKDPPAO-RVKKMQEKSA-N 388.556 3.656 0 40 GHAB Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2ccccc2OCC#N)NC1=S 14201915 JGLSRRBDUHPKAZ-RVDMUPIBSA-N 383.860 3.813 0 40 GHAB O=C(Nc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1)c1ccco1 15865547 LIJBDCKAHBLVRB-UHFFFAOYSA-N 395.802 3.772 0 40 GHAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1cc(=O)[nH]c2ccccc12 16046730 GGKGDJUDHMKIEM-UHFFFAOYSA-N 391.379 3.808 0 40 GHAB Cc1nc(C)c(CCC(=O)Nc2nc3c(ccc4ccccc43)s2)c(=O)[nH]1 16468571 SLTZLNVBUHDYRC-UHFFFAOYSA-N 378.457 3.721 0 40 GHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1COc2ccccc2O1 16628940 CDLAQAMBCXLTED-GFCCVEGCSA-N 381.259 3.704 0 40 GHAB CCCn1c([C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 16769900 ZAWYFTUIJDLUPR-AWEZNQCLSA-N 397.475 3.963 0 40 GHAB Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)c3ccco3)CC2)on1 19123089 QTSBJQMCHFKINN-UHFFFAOYSA-N 395.463 3.873 0 40 GHAB COc1ccc([C@H]2CN(C)[C@@H]3CCCN(C(=O)Cc4cccc(C)c4)[C@H]23)cc1 19234775 PFSRJVKZDMAKFB-CQOQZXRMSA-N 378.516 3.635 0 40 GHAB Cc1nccn1CCCC(=O)N1CCC[C@H](c2nc(C)n3c(C)csc23)C1 19240408 QDKYGXBNIZOMRM-KRWDZBQOSA-N 385.537 3.704 0 40 GHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc2c(c1)OCCO2 19372891 NARIRFRGEMODOO-LJQANCHMSA-N 389.455 3.510 0 40 GHAB COCCCN(Cc1nc(-c2cccnc2Cl)no1)[C@@H](C)c1ccccn1 19459536 RQLJQBHVUNZWLC-AWEZNQCLSA-N 387.871 3.780 0 40 GHAB Cc1cc(Cc2ccc(Cl)cc2)cc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 19690923 TYKZBAXEHWHNAE-IBGZPJMESA-N 393.940 3.578 0 40 GHAB COc1ccc(CNC(=O)[C@@H](OC(=O)c2ccco2)c2ccc(C)cc2)cc1 1381041 HUTIRMWOBHQKHQ-FQEVSTJZSA-N 379.412 3.811 0 40 GHAB COc1ccc(-c2nc(O)cc(C3CCN(Cc4cccnc4)CC3)n2)cc1 12222624 KDVUJGHRXVHASI-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB C[C@H]1c2cccn2CCN1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 37207191 MMPBJCQRMVUHDO-IRXDYDNUSA-N 394.544 3.881 0 40 GHAB O=C(CSc1nnc2ccc3ccccc3n12)c1ccc2c(c1)OCCO2 1924229 RWCGIBCIGIVGKQ-UHFFFAOYSA-N 377.425 3.629 0 40 GHAB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)cc3)co2)n1 4377255 OQGZHUFXDMTGPI-UHFFFAOYSA-N 388.832 3.903 0 40 GHAB COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1ccc(F)c(Cl)c1 7458137 HHICUHDMVJWWGS-UHFFFAOYSA-N 387.798 3.594 0 40 GHAB CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccccc2Cl)n1 12126088 JZTPHSBDYIRPQF-UHFFFAOYSA-N 397.866 3.862 0 40 GHAB O=c1c2sccc2nc(SCc2nc(-c3ccccn3)no2)n1C1CC1 16843588 GSYJHPPXBDQFAB-UHFFFAOYSA-N 383.458 3.530 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2c(F)cccc2Cl)N2CCN(C)CC2)cc1 22582568 BSAJXWQWNMPXAX-LJQANCHMSA-N 389.902 3.506 0 40 GHAB CN(C)[C@@H](CNC(=O)c1ccc(Br)o1)c1cn(C)c2ccccc12 23239918 JBIKMXRCCPFCIG-HNNXBMFYSA-N 390.281 3.567 0 40 GHAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccccc1N1CCCCCC1 40051085 LDBFXWNNMVEKCS-FQEVSTJZSA-N 379.460 3.795 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 40040419 OVVREQMAWSYCBZ-QGZVFWFLSA-N 378.407 3.693 0 40 GHAB O=C(c1ccoc1)N1CCC(NC(=O)C2(c3cccc(F)c3)CCCC2)CC1 40057745 NMZITZRKYRQEHZ-UHFFFAOYSA-N 384.451 3.652 0 40 GHAB O=C(CCc1cccs1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 40071861 MVKUVHYBUMSZEZ-UHFFFAOYSA-N 398.450 3.924 0 40 GHAB O=C(Nc1ccc(Br)cc1F)c1ccc(CN2CCCC2=O)cc1 20492703 MPGXCJPMLZKVDM-UHFFFAOYSA-N 391.240 3.963 0 40 GHAB CCCc1nnc(S)n1CC(=O)Nc1ncc(Cc2ccc(C)cc2)s1 29793236 HMDLLDPMETUFAG-UHFFFAOYSA-N 387.534 3.514 0 40 GHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1CC(=O)N(Cc2ccccc2)C1 2630727 GKTRMAPQLRAYFY-INIZCTEOSA-N 395.459 3.936 0 40 GHAB CC(C)(C)c1ccc(C(=O)N2N=C(c3ccncc3)C[C@@]2(O)C(F)(F)F)cc1 871864 NADITVUDVSYICA-LJQANCHMSA-N 391.393 3.880 0 40 GHAB COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4OC)C3)n2)cc1 1362737 FANISAIEXKFZTL-INIZCTEOSA-N 393.443 3.774 0 40 GHAB COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1OC 1363150 RLQKSLMCAHHVLJ-QGZVFWFLSA-N 393.443 3.774 0 40 GHAB CC(C)(C)CC(=O)Nc1nnc(SCC(=O)Nc2ccccc2F)s1 1381673 WWLZBJGXJYULMD-UHFFFAOYSA-N 382.486 3.783 0 40 GHAB COc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 1973117 VTNGUXCXJIINSG-UHFFFAOYSA-N 389.407 3.722 0 40 GHAB O=C1/C(=C\Nc2ccncc2)c2ccccc2C(=O)N1c1ccc(Cl)cn1 102256263 QCFLNAFYRLHESN-ATVHPVEESA-N 376.803 3.770 0 40 GHAB Cc1sc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N(C)C 6679562 UOYVYUZPWUDPTH-UHFFFAOYSA-N 392.424 3.578 0 40 GHAB CN1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 7105756 YHXGOPRMKNTRCO-UHFFFAOYSA-N 378.303 3.926 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7718161 MOCZADYFZREQHH-CQSZACIVSA-N 386.835 3.560 0 40 GHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc(C(=O)OC)cc2)CC1=O 7929340 GCWANDSZGIGWSD-SFHVURJKSA-N 395.455 3.557 0 40 GHAB CCOc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 8413904 ANQSTKGURMOVPD-UHFFFAOYSA-N 396.487 3.762 0 40 GHAB O=C1CN(C(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc2N1 9063352 LVVVFNIWZIQEHP-UHFFFAOYSA-N 383.879 3.537 0 40 GHAB CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(C)c(OC)c1 1080919 BZEAMUHXFQSTIU-UHFFFAOYSA-N 391.431 3.800 0 40 GHAB COCc1cc(C)nc2c1C(=O)N[C@H](c1ccc(C)o1)N2Cc1ccccc1 12462500 HKBNUENOIPKYFM-FQEVSTJZSA-N 377.444 3.887 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1F 1252509 QELBCAWJPMNYKU-GOSISDBHSA-N 385.464 3.656 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2ccccc2I)cc1 3155968 SMQWPJLMGQZEGL-LLVKDONJSA-N 381.213 3.791 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCN(c2cccc(C)c2C)CC1 20045207 PWRFOQKYPGZZHQ-JOCHJYFZSA-N 382.504 3.818 0 40 GHAB Brc1ccc(CN2CCN(c3ncnc4sccc34)CC2)s1 57270828 TWGHJCRZOMZGLU-UHFFFAOYSA-N 395.351 3.838 0 40 GHAB CSc1ccccc1NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1 3251094 BRJGPBATWLHRHB-UHFFFAOYSA-N 375.421 3.692 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 48065048 LBPNZMUJSZCTCX-LVMGUKCRSA-N 396.443 3.567 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)CNC(=O)c2ccccc2F)cc1 25056400 IMLPNZUMLOUNDJ-HXUWFJFHSA-N 384.451 3.708 0 40 GHAB CCc1nnc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)s1 9167596 LPGFNKYLRBOIDU-UHFFFAOYSA-N 390.472 3.660 0 40 GHAB CSc1nc2ccc(NC(=O)CSc3nncn3C3CC3)cc2s1 12687392 DIXAPCVYYRADBV-UHFFFAOYSA-N 377.520 3.675 0 40 GHAB Cc1n[nH]c(-c2ccccc2NC(=O)c2ccn(-c3cccc(Cl)c3)n2)n1 58249744 SWIMPUNKUKONLK-UHFFFAOYSA-N 378.823 3.872 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 20457681 DURZBHZOOLMHHJ-MSOLQXFVSA-N 388.533 3.644 0 40 GHAB Cc1nc(C2(NS(=O)(=O)c3c(Cl)cccc3Cl)CCCCC2)no1 45097198 UFLDVQAYSMVDPT-UHFFFAOYSA-N 390.292 3.823 0 40 GHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1CCN2CCCC[C@H]12 48238159 TYZDEDBUAGJCHI-LSDHHAIUSA-N 377.847 3.799 0 40 GHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1C 408610040 UOLADLJYKPJOGR-UHFFFAOYSA-N 380.897 3.897 0 40 GHAB CCS(=O)(=O)c1ccc(NCc2nc(-c3ccc(Cl)cc3)no2)cc1 11040029 FEBMHONBBLAPFA-UHFFFAOYSA-N 377.853 3.796 0 40 GHAB C[C@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(F)cc1 12774228 NQJREQLQRIKRJR-LBPRGKRZSA-N 399.491 3.813 0 40 GHAB NC(=O)Nc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 12745533 YCFPKWJUORPEDT-UHFFFAOYSA-N 392.440 3.977 0 40 GHAB COc1ccc(C2=NN(C(=O)CN[C@@H](C)c3ccco3)[C@@H](c3ccco3)C2)cc1 12772947 HOHPVAPRNMPMIN-HNAYVOBHSA-N 393.443 3.910 0 40 GHAB C[C@H]1CCN(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c2ccccc2S1 8326109 SFCUFKFMIDBIJT-ZDUSSCGKSA-N 399.447 3.560 0 40 GHAB Cc1nccn1-c1cc(CNC(=O)c2ccc(Oc3ccccc3)nc2)ccn1 48313512 MKTQPLMYVDWZRE-UHFFFAOYSA-N 385.427 3.693 0 40 GHAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](C)Oc1cccc(C)c1 12849574 LMQJRDQLMKRECW-KRWDZBQOSA-N 393.487 3.828 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)CNC(=O)N[C@H]1CCCC[C@H]1C 12930205 BISRAKINAKYAGJ-ZBFHGGJFSA-N 375.513 3.809 0 40 GHAB CCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)cc1 12926256 WPMPMSJCGOEATH-UHFFFAOYSA-N 391.452 3.851 0 40 GHAB O=C(/C=C/c1cccs1)N1CCN(C(=O)c2cccc3ccccc23)CC1 12916233 ONWJJAYEGWWQEG-ZHACJKMWSA-N 376.481 3.899 0 40 GHAB Cc1cc(NC(=O)CCCNC(=O)c2ccsc2)ccc1Br 12997644 PSFFCGYYZFZKMJ-UHFFFAOYSA-N 381.295 3.968 0 40 GHAB CCOc1ccc(CCNC(=O)COc2ccc(Cl)cc2)cc1OCC 3608985 JGQNRUFOCMSRAE-UHFFFAOYSA-N 377.868 3.875 0 40 GHAB CC(C)n1nccc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 6128940 JWOSVUYNXVEWIG-UHFFFAOYSA-N 382.493 3.653 0 40 GHAB Cc1nnc(SCC(=O)Nc2ccnn2C2CCCC2)n1-c1ccccc1 6109076 MSHDECAJTAPQIL-UHFFFAOYSA-N 382.493 3.618 0 40 GHAB CCn1c(COc2ccccc2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 409326681 DFHAZGQHTSYHFU-NVXWUHKLSA-N 388.537 3.664 0 40 GHAB CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)C(CC)CC)s2)CC1=O 13944502 BMBIWYOGVWLLOS-HNNXBMFYSA-N 386.521 3.996 0 40 GHAB CC1CCN(Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)CC1 20485625 JLCVDBDGCJKGHI-UHFFFAOYSA-N 391.559 3.877 0 40 GHAB Cc1ccc(-c2nnc(S)n2CC(=O)N2CCCc3cc(C)ccc32)cc1 65554853 JSBYSRRAGWYSBM-UHFFFAOYSA-N 378.501 3.830 0 40 GHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc2c3c(cccc13)CC2 14249814 ZGWLNBMLVSQLIG-HXUWFJFHSA-N 392.524 3.803 0 40 GHAB CC(C)(C)c1ccc([C@H](CC(=O)O)NS(=O)(=O)Cc2ccccc2)cc1 4698454 UKXMBPYSLYIHHU-SFHVURJKSA-N 375.490 3.620 0 40 GHAB Cc1ccc2nc3c(c(C(=O)N4CCN(c5ccccn5)CC4)c2c1)CCCC3 70666835 HMERSMODMBSNIY-UHFFFAOYSA-N 386.499 3.779 0 40 GHAB O=C(OCN1C(=O)c2ccccc2C1=O)C1c2ccccc2Oc2ccccc21 6890468 VWBJTEPTYNVBFY-UHFFFAOYSA-N 385.375 3.721 0 40 GHAB CCc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccccc2)cc1 6811927 KXUPZCOUFRXALC-OALUTQOASA-N 393.516 3.801 0 40 GHAB COc1ccc([C@H]2CC(=O)Nc3nc(N)sc32)cc1OCc1ccccc1F 15082057 RVEDUZHGCUBBSF-CYBMUJFWSA-N 399.447 3.926 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3cccc(F)c3)n2C)cc1OC 4993373 PIZGEBGNSPDJJL-UHFFFAOYSA-N 387.436 3.613 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2n[nH]c3ccccc23)cc1 6975555 RPMBSMHRXYMDME-ZDUSSCGKSA-N 379.416 3.730 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccc(-n2ccnc2)cc1 7738332 RAFOTPAHCXIFGC-UXBLZVDNSA-N 389.455 3.705 0 40 GHAB COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1ccccc1)C3 8991827 SRQGEQMUBSCIRZ-QGZVFWFLSA-N 384.439 3.850 0 40 GHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc4c(c3)OCCCO4)o2)cc1 19352610 HIXWHJKPQYJNOU-CYBMUJFWSA-N 396.399 3.825 0 40 GHAB Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1C 408670305 IMERZWGFLTUWBX-ZCLUNYJNSA-N 386.451 3.867 0 40 GHAB S=C(NCCN1CCOCC1)c1cccc(OCc2ccc(Cl)cc2)c1 408572729 HYHYBBLYEGWXEI-UHFFFAOYSA-N 390.936 3.516 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)CN[C@@H](c2ccccc2)C(C)(C)C)cc1 71822707 WLRCPFXMDIRDDT-QFIPXVFZSA-N 381.520 3.769 0 40 GHAB CC(C)CN1CC[C@H](C(=O)NCc2cccc(COCc3ccccc3)c2)C1 79107655 JQHOBCZAGWBTKR-QHCPKHFHSA-N 380.532 3.998 0 40 GHAB CC(C)CN1CC[C@@H](C(=O)NCc2cccc(COCc3ccccc3)c2)C1 79107658 JQHOBCZAGWBTKR-HSZRJFAPSA-N 380.532 3.998 0 40 GHAB CC(C)n1ccc2c(C(=O)N3CCN(CCc4ccncc4)CC3)cccc21 79485314 REFUJUWBIWWNQF-UHFFFAOYSA-N 376.504 3.618 0 40 GHAB CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3ccsc3)CC2)C1 306126951 FJUWJGBHQXCHQL-UHFFFAOYSA-N 397.523 3.582 0 40 GHAB CCCOc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccccc3OC)no2)cc1 32623643 BABQNPUFUZXZNC-CQSZACIVSA-N 397.431 3.940 0 40 GHAB O=C1NCCN(Cc2c[nH]c3ccccc23)[C@@H]1Cc1cccc(-c2ccncc2)c1 72351652 NLWQUMCPIGUZSO-XMMPIXPASA-N 396.494 3.773 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CNc3ccccc3F)C2=O)cc1OC 408728277 YYQAANKQTWYQIP-LICLKQGHSA-N 388.420 3.949 0 40 GHAB O=C(N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1ccc(-n2ccnc2)nn1 523776365 HLQNRQIINGKUSG-IBGZPJMESA-N 397.438 3.583 0 40 GHAB CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(CC[C@H](C)c1ccccc1)C2 72390850 RZJOEOAPSTZYRM-JTSKRJEESA-N 378.520 3.712 0 40 GHAB COc1c(S(=O)(=O)Oc2ccc(NC(C)=O)cc2)ccc(Cl)c1Cl 32602128 GLIKXVWJMZETJE-UHFFFAOYSA-N 390.244 3.728 0 40 GHAB COc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1Br 37383610 ICKKDTQXOMTSQR-UHFFFAOYSA-N 376.316 3.849 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 31813052 UZXOEZWWYHJUOY-SECBINFHSA-N 397.287 3.714 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)c(C(=O)O)c1 217559844 ZEQKPSKBTRNEDO-UONOGXRCSA-N 376.478 3.635 0 40 GHAB CCCCNC(=O)c1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 219210431 WGALQDLGCHZEEI-UHFFFAOYSA-N 379.460 3.596 0 40 GHAB NC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 72352545 SRTFOVMKJFEPIA-MRXNPFEDSA-N 388.496 3.933 0 40 GHAB O=C(c1cc2c([nH]1)CCCC2)N1CCC[C@H]1[C@H](O)c1nc2ccccc2s1 72324180 WYWNTEGKHMZKCX-HKUYNNGSSA-N 381.501 3.841 0 40 GHAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(I)cc2)cc1 48816847 NEVAVIIDCSZJNS-ZDUSSCGKSA-N 395.240 3.797 0 40 GHAB O=C(NCC1CCN(c2ncccn2)CC1)Nc1cccc(C(F)(F)F)c1 43977925 YSFOZJXAKQZYLJ-UHFFFAOYSA-N 379.386 3.534 0 40 GHAB Cn1c([C@@H]2CCCN2C(=O)c2ccc3c(c2)C(C)(C)CO3)nc2c1CCCC2 574445590 LEGPWTSXQFXJIK-IBGZPJMESA-N 379.504 3.946 0 40 GHAB COc1ccccc1OCCNC(=O)CSCc1ccc(Cl)cc1F 225141385 BVHHXFOCIICQFU-UHFFFAOYSA-N 383.872 3.916 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCC2 223059113 ADCIUODKGQCDRB-LJQANCHMSA-N 387.501 3.766 0 40 GHAB O=C(COc1ccc2c(c1)CCCC2)NCc1ccc(CN2CCCC2)cc1 224516596 LWYXITKXLNOJII-UHFFFAOYSA-N 378.516 3.856 0 40 GHAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccccc1 225682391 SRHCNZQBILRQCN-IBGZPJMESA-N 398.572 3.904 0 40 GHAB Cc1c(Br)cnc(NC(=S)NCC(C)C)c1Br 223877336 BLQVKQYMNMPJMW-UHFFFAOYSA-N 381.137 3.857 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 224265190 PBMHCQDJLCLBPG-OAQYLSRUSA-N 382.504 3.626 0 40 GHAB Cc1cc(NC(=O)C[C@H](CC(=O)O)c2cccs2)ccc1N1CCCC1=O 96024580 BOHJEUHXLNBDTF-CQSZACIVSA-N 386.473 3.770 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NC(C)C 95471321 ZJWKDEMRLJPISO-KBXCAEBGSA-N 398.532 3.756 0 40 GHAB Fc1ccc(OC(F)F)cc1-c1noc([C@@H]2COCCN2C2CCCC2)n1 585085723 FMQCSPYOOPTGBY-HNNXBMFYSA-N 383.370 3.793 0 40 GHAB Cc1noc(C)c1-c1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2)nc1 257275995 NRXRBKOYWHGAMW-LJQANCHMSA-N 383.473 3.879 0 40 GHAB COc1cccc(N2CCC(N(CC(=O)O)Cc3cccc(Cl)c3)CC2)c1 257340143 ZETDSSDQKFRSLK-UHFFFAOYSA-N 388.895 3.904 0 40 GHAB CC(C)CCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(F)cc4)no3)ccc2c1=O 85601952 FAJLTEIWEVZBEY-UHFFFAOYSA-N 394.406 3.592 0 40 GHAB Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](c4nc[nH]n4)C3)cn2)c1C 644999281 ALEISEWAZZVBQF-HNNXBMFYSA-N 378.436 3.630 0 40 GHAB CC1(C)C[C@@]2(CCCN2C(=O)CCc2cc(O)no2)CN1c1cccc(F)c1 1615152569 ARRGZXFYZIVTEK-NRFANRHFSA-N 387.455 3.502 0 40 GHAB CCO/C=C(\C(=O)OCC)C(=O)c1cc(F)c(F)c(Br)c1F 34141699 QKALLHLEBYAROM-VURMDHGXSA-N 381.144 3.533 0 40 GHAB C[C@@H](CO)NC(=O)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 12220750 BTGMNJSEFZGXSG-KRWDZBQOSA-N 393.483 3.936 0 40 GHAB O=S(=O)(c1cccs1)N1CCc2[nH]c3c(Br)cccc3c2C1 12407309 CALJGQOJINFXCL-UHFFFAOYSA-N 397.319 3.739 0 40 GHAB Cn1cc(/C=C/C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cn1 12902238 MLYARLOBKYOQEC-OUKQBFOZSA-N 383.455 3.602 0 40 GHAB CCn1c(SCc2nc(-c3cccs3)no2)nc2ccsc2c1=O 12949383 AXCIUAAKHAIUNP-UHFFFAOYSA-N 376.488 3.882 0 40 GHAB C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13676584 HGSIMIKVWUOIQA-ZIAGYGMSSA-N 393.380 3.781 0 40 GHAB O=C(CNC(=O)c1cccc(Cl)c1)NC(c1ccccc1)c1ccccc1 16636753 JSMIRTBYWIWQGS-UHFFFAOYSA-N 378.859 3.976 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H](c3nc(C)cc(-c4cccs4)n3)C2)cn1 19117869 BCWUTQSICSHPII-OAHLLOKOSA-N 379.489 3.632 0 40 GHAB O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)C1CCOCC1 19332829 XWYXBXWDUJDTSF-UHFFFAOYSA-N 390.955 3.769 0 40 GHAB O[C@@H](c1ccccn1)c1ccccc1N1CCN(Cc2ccc(F)c(F)c2)CC1 19347805 MDFCRTXESKNMCB-HSZRJFAPSA-N 395.453 3.764 0 40 GHAB Cc1nc(C)c(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)o1 19559380 GWVXYLODEHHWMM-GOSISDBHSA-N 378.476 3.980 0 40 GHAB COc1cccc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c1 19565090 MVUVMOPJEYWDHR-HNNXBMFYSA-N 394.924 3.527 0 40 GHAB Cc1ccc2c(c1)cc(C(=O)Nc1cccc(N3CCCCS3(=O)=O)c1)n2C 19655352 CSLCPCOKPZWFSU-UHFFFAOYSA-N 397.500 3.669 0 40 GHAB Cc1cc(N2CCO[C@H](c3ccc(Cc4ccccc4F)cn3)C2)nc(C)n1 19692927 ZXMRGNMLTNMXIC-NRFANRHFSA-N 378.451 3.796 0 40 GHAB CCc1nnc2n1C[C@H](c1ccc(NC(=O)c3sc(C)nc3C)cc1)CC2 19698994 PSJFLVVNCGIYOY-OAHLLOKOSA-N 381.505 3.896 0 40 GHAB COc1cccc(CC(=O)N2[C@H](Cc3ccccc3)C[C@@H]3NCCCCC[C@H]32)c1 19712907 LXYGGJIDDXLABC-YFNKSVMNSA-N 392.543 3.982 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)Nc3ccc(N4CCOC4=O)cc3)c2C)no1 155740349 AVZUXZVGXIUYEQ-UHFFFAOYSA-N 380.404 3.599 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(C)c2ccccc2)n1 6464134 OXZYTMOWKDZAGX-UHFFFAOYSA-N 388.880 3.889 0 40 GHAB CCOc1ccc2[nH]c(=O)c(-c3nc4cc(C)ccn4c3NCCOC)cc2c1 35315120 VZIAVYJTMUAAML-UHFFFAOYSA-N 392.459 3.608 0 40 GHAB O=S(=O)(c1ccc(Nc2ccc(-c3ccccc3)nn2)cc1)N1CCCC1 4859031 WNKKCHIURDWNGT-UHFFFAOYSA-N 380.473 3.672 0 40 GHAB COc1c(Br)cc(CN[C@H](C)[C@H]2CCCO2)cc1Br 36325302 WABWGAIOYKYRMC-NOZJJQNGSA-N 393.119 3.877 0 40 GHAB Cc1ccc(N2C[C@@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2=O)cc1 5123536 XTKDHOVUQIHQBI-AWEZNQCLSA-N 393.365 3.821 0 40 GHAB CCOc1cccc2cc(-c3nc(-c4ccc(OC)c(OC)c4)no3)c(=O)oc12 6868047 VQTUYPRUZFCPDN-UHFFFAOYSA-N 394.383 3.926 0 40 GHAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(-c2ccccc2)cc1 9570899 ZKJHXDIVZJKNMZ-UHFFFAOYSA-N 391.381 3.538 0 40 GHAB Cc1nc2ccc(C(=O)N3CCC[C@@]4(C3)OC(=O)c3ccccc34)cc2s1 207986519 NLEOBRSHTDVHOA-NRFANRHFSA-N 378.453 3.907 0 40 GHAB COc1ccc(Cl)cc1C(=O)NCCCN1CCO[C@H](c2ccccc2)C1 35592977 HQANPXVYKQNSAH-FQEVSTJZSA-N 388.895 3.542 0 40 GHAB O=C(c1nc2ccccc2s1)N1CCC(c2nnc(-c3ccco3)o2)CC1 44098914 GJSLIVCKWTXSRS-UHFFFAOYSA-N 380.429 3.959 0 40 GHAB c1cc(N2CCN(Cc3csc(C4CCCC4)n3)CC2)nc(-n2ccnc2)c1 2298082517 OWOYIZGBPBWNSV-UHFFFAOYSA-N 394.548 3.704 0 40 GHAB CCOC(=O)[C@@H](CC)Sc1ncnc2c1cnn2-c1ccc(Cl)cc1 4341672 DWOTYDDODXZMGV-CQSZACIVSA-N 376.869 3.903 0 40 GHAB Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1C 100547721 GZGMWAVBOPDFJB-USNOLKROSA-N 387.435 3.834 0 40 GHAB CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1Cl 31721496 OGEZGZLWCZEAKZ-UHFFFAOYSA-N 375.855 3.688 0 40 GHAB COc1ccccc1N1CCN([C@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)CC1 20745206 ZZDBJRDRKUCNTB-FQEVSTJZSA-N 399.878 3.778 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)s1)C1CC1 11740768 TVJCJCBVLLCYJZ-HNNXBMFYSA-N 397.500 3.588 0 40 GHAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(OC)c3)nc2)cc1 1353068 SMOCTQJCUFQREX-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB O=S1(=O)c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1Cc1ccccc1 1462409 BMTPUCBHMCENCL-OAQYLSRUSA-N 394.452 3.731 0 40 GHAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2ncnc3c2[nH]c2ccc(Cl)cc23)C1 2115339 XDQAALVUSWITTP-OLZOCXBDSA-N 391.862 3.550 0 40 GHAB O[C@@]1(c2ccc(F)cc2)CN(c2ccc(Br)cc2)C2=[N+]1CCCC2 2966170 PLKRHGIHJSYZAM-LJQANCHMSA-N 390.276 3.848 0 40 GHAB C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 32854802 DYWYEALJIOIXIJ-HNNXBMFYSA-N 380.444 3.875 0 40 GHAB Cc1cn2c(CN(C)S(=O)(=O)c3ccc(F)c(Cl)c3)c(C)nc2s1 32843641 KBYRDICXCNZYKP-UHFFFAOYSA-N 387.889 3.626 0 40 GHAB Cc1cc(OCCCC(=O)N2CCS(=O)(=O)c3ccccc32)ccc1Cl 32865901 ALOUMOLQRLUEKU-UHFFFAOYSA-N 393.892 3.628 0 40 GHAB Cc1cc(C)cc(NC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c1 4328968 CUYZRTVQNKKCQI-UHFFFAOYSA-N 389.451 3.721 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1C 7881607 OEPPLPIERVGRAZ-MRXNPFEDSA-N 385.847 3.736 0 40 GHAB Cc1noc(CCCC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)n1 102823616 ZQUSPGRMMHTDIM-UHFFFAOYSA-N 375.432 3.560 0 40 GHAB CCn1c(S)nc2cc(C(=O)N[C@H]3CCCC[C@H]3C(F)(F)F)ccc2c1=O 102832520 DYQLTDZMIDBUKP-OLZOCXBDSA-N 399.438 3.556 0 40 GHAB Cc1cccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@@H]3c2ccccc2F)c1 102820707 RIIAJZGQYBWQOV-GOSISDBHSA-N 392.390 3.566 0 40 GHAB CCn1nnnc1NCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 8339926 OZEYOCSAXKBVAN-UHFFFAOYSA-N 391.834 3.685 0 40 GHAB COc1cccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)CCc2ccccc2)c1 663121 BMYNTSNTXDOMDS-LJQANCHMSA-N 392.377 3.624 0 40 GHAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)[C@@H]1CCCN1C(=O)C1CCCCC1 53369543 UDIHWFVOBPDDOA-MOPGFXCFSA-N 388.483 3.727 0 40 GHAB O=C(OCCCn1cnc2ccccc2c1=O)c1ccc(Cl)cc1Cl 22468686 CKAJCHMENYAVFZ-UHFFFAOYSA-N 377.227 3.950 0 40 GHAB COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)C(C)C 12321902 PDFIXWFGLIXSIV-UHFFFAOYSA-N 392.521 3.569 0 40 GHAB C[C@@H](C(=O)NC[C@H](C)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 22772764 UPGIELPGEYXOKG-DYXITNMZSA-N 391.559 3.626 0 40 GHAB CCOc1ccc(NC(=O)CN(C)C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1OCC 104730733 XTNYHNVZUVZFCG-YESZJQIVSA-N 388.508 3.707 0 40 GHAB COc1cc(NC(=O)c2cc(C3CC3)nn2C(C)(C)C)ccc1N1CCCC1=O 59037980 ULGLJEGPYZJZBN-UHFFFAOYSA-N 396.491 3.903 0 40 GHAB CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O 23969146 CVSLBESRTDYUPO-GFCCVEGCSA-N 378.457 3.506 0 40 GHAB COc1ccccc1CC(=O)NC[C@H]1CC[C@H]([C@H](c2ccccn2)N(C)C)CC1 100750204 XNPUCJFAWGCFNP-YDIMBITNSA-N 395.547 3.858 0 40 GHAB C[C@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N2 101368301 CTPFQTOWZIWMNG-ZSZQSSIHSA-N 390.361 3.672 0 40 GHAB CN1C(=O)N(C)[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1 106570566 SYNNHNSRVKJSLG-JKIFEVAISA-N 398.406 3.536 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(=O)c2ccccc2o1 12591147 RJHGEEQLPQEMNT-VCBZYWHSSA-N 386.444 3.954 0 40 GHAB COC(=O)c1ccccc1NCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O 1434839 VSBVGPOZINZDIY-YBEGLDIGSA-N 386.404 3.718 0 40 GHAB COc1ccc(CN(C)C(=O)CCc2ccccc2Br)cc1O 83862060 BNOQHIJDSWJXNJ-UHFFFAOYSA-N 378.266 3.755 0 40 GHAB C[C@H]1[C@@H](c2ccccc2)C[C@H]1NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 108390261 RCCSECDDTADPIZ-KEIZBESESA-N 378.516 3.877 0 40 GHAB CNC(=O)c1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 57911552 HOYNCYBOAUBGNI-UHFFFAOYSA-N 387.483 3.687 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 20457361 LLRPHHKAUBKEDH-HNNXBMFYSA-N 394.924 3.600 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1c(C)nsc1NC)c1ccccc1Cl 27580174 FEZUIOLSYMKBAQ-HNNXBMFYSA-N 380.945 3.960 0 40 GHAB COc1cc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc(Cl)c1OC 10222424 SULOLHJAWUHLIP-UHFFFAOYSA-N 385.851 3.515 0 40 GHAB C[C@@H]1CCCN(Cc2ccc(CNC(=O)Cc3n[nH]c4ccccc34)cc2)C1 58393542 DOTCIQILURRUNW-QGZVFWFLSA-N 376.504 3.654 0 40 GHAB O=C(CCSc1nnc(NC[C@H]2CCCO2)s1)Nc1cccc(Cl)c1 36393193 UVZHMFSFTBYITR-CYBMUJFWSA-N 398.941 3.903 0 40 GHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccccc1O 12770685 UBBGDYNRSODOQP-UHFFFAOYSA-N 383.454 3.531 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(Cn2c(=O)oc3cc(Cl)ccc32)C1 28816997 BEUWQXPVMIISNW-AWEZNQCLSA-N 385.851 3.556 0 40 GHAB CN(C(=O)C1CCN(C(=O)C2CC2)CC1)C(c1ccccc1)c1ccccc1 36751415 UIQWRUVXJYFVKR-UHFFFAOYSA-N 376.500 3.883 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccco2)CC1 11555732 IZCSJVQXNAYQKV-UHFFFAOYSA-N 390.867 3.511 0 40 GHAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1F 12803605 MMXSOQAETOZOLC-UHFFFAOYSA-N 376.378 3.903 0 40 GHAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Oc2ccccc2)cc1 3406847 WSQSKNOEZJVSJH-UHFFFAOYSA-N 390.395 3.576 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1OCC 3441702 ZHRAEJJEFPXRES-UHFFFAOYSA-N 379.359 3.558 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2)NN3Cc2ccccc2)cc1 19169118 LJNAFHHGVTUUSJ-ZLNRFVROSA-N 397.478 3.615 0 40 GHAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CNc3ccccc3)cc12 13479813 UOSNUIQVFINEND-QGZVFWFLSA-N 382.460 3.515 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)N[C@@H](C)c3cc(C)oc3C)CC2)c(F)c1 67727001 GVXLSOHIQNCTRX-AWEZNQCLSA-N 387.455 3.831 0 40 GHAB CC(=O)Nc1cccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 8984238 HAEKGCZWGDKMEB-UHFFFAOYSA-N 380.366 3.654 0 40 GHAB C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cc1Cl 6051726 WSYQNRPMAUCXMJ-VIFPVBQESA-N 382.199 3.906 0 40 GHAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 5020510 NJIHYWMNWBJGKB-UHFFFAOYSA-N 397.302 3.817 0 40 GHAB COc1ccc([C@@H]2CC(c3cc(Cl)ccc3OC(C)=O)=NN2C(C)=O)cc1 5047284 SVBBZDNIILDWPY-IBGZPJMESA-N 386.835 3.972 0 40 GHAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2O)nnc1-c1ccco1 13956022 LZQSGRJOJRVLAP-UHFFFAOYSA-N 378.841 3.648 0 40 GHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(Cl)(Cl)Cl 6441656 XTPNGVQLKKVGKB-UHFFFAOYSA-N 377.611 3.849 0 40 GHAB O=C(Nc1ccccc1F)OCCN1C(=O)c2cccc3cccc(c23)C1=O 20031687 LJUZXDRQYKNTGY-UHFFFAOYSA-N 378.359 3.824 0 40 GHAB Cc1ccn2c(=O)cc(CN3CCC[C@H](c4nc5ccccc5s4)C3)nc2c1 14244579 HHGUKCJXNBEKTK-INIZCTEOSA-N 390.512 3.992 0 40 GHAB Cc1c(NC(=O)c2cc3cc(Cl)ccc3n2C)c(=O)n(-c2ccccc2)n1C 4675626 ZZBGWLMGCBZTCT-UHFFFAOYSA-N 394.862 3.882 0 40 GHAB CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCCC[C@@H]1C 5500083 BPIYYUWPZSBKJV-AWEZNQCLSA-N 387.480 3.556 0 40 GHAB CC(C)n1c(=O)n(Cc2ccccc2)c(=O)c2sc3c(c21)COC(C)(C)C3 6759700 LPBBJWAGOIVDEU-UHFFFAOYSA-N 384.501 3.705 0 40 GHAB COc1cccc(CC(=O)N2CCc3ccc(NC(=O)C4CCCC4)cc32)c1 66412506 BONMQYJCRHFXMN-UHFFFAOYSA-N 378.472 3.956 0 40 GHAB COc1ccccc1NC(=O)c1nnn(-c2ccccc2C(F)(F)F)c1C 4938458 OOGDHAKQGOLDPM-UHFFFAOYSA-N 376.338 3.855 0 40 GHAB O=C(COC(=O)c1ccc(F)cc1Cl)NCc1cccc(C(F)(F)F)c1 67198207 IAMBHZDBCQSCHH-UHFFFAOYSA-N 389.732 3.971 0 40 GHAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc3ncsc3c2)CC1 15317857 QARCTPYPFPSHHS-UHFFFAOYSA-N 386.908 3.954 0 40 GHAB COc1cccc(NC(=O)Cn2nc(COc3ccc(C)cc3)oc2=S)c1 409164879 PBMKWFFNSHJUNQ-UHFFFAOYSA-N 385.445 3.740 0 40 GHAB C[C@@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1ccco1 7546628 VVFKHEBNPUMRLJ-GFCCVEGCSA-N 388.518 3.828 0 40 GHAB COc1ccc(C(=O)N2CN(C[C@@H]3CCCO3)Cc3c2sc(C)c3C)cc1 19880830 VQZUIAUFUBZGFW-SFHVURJKSA-N 386.517 3.972 0 40 GHAB CS[C@H]1CC[C@H](N(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 78947783 FSDANPVQGVNPJO-STQMWFEESA-N 382.378 3.983 0 40 GHAB CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1nnc(C2CC2)s1)c1ccccc1 84240527 YZJQFGZIELZRIS-CQSZACIVSA-N 388.493 3.663 0 40 GHAB CN(Cc1nccn1CC(F)(F)F)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 72304089 FQESARYJHTXQRL-LPHOPBHVSA-N 377.410 3.698 0 40 GHAB COCCn1cc(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 79188720 OJSIAUJYOUKWFK-UHFFFAOYSA-N 375.472 3.670 0 40 GHAB biogenic O=C(Cn1cnc(-c2ccccn2)n1)Nc1cc(Cl)c(Cl)cc1Cl 95447125 IIMCRENLGNFXEM-UHFFFAOYSA-N 382.638 3.939 0 40 GHAB C[C@@]1(c2cccnc2Cl)NC(=O)N(CCCOc2cccc(Cl)c2)C1=O 95419345 NDSHOXSMFJMAEO-SFHVURJKSA-N 394.258 3.625 0 40 GHAB CCOc1ccc(OCCCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 84809324 HKSIODZOXZFCAX-UHFFFAOYSA-N 382.504 3.589 0 40 GHAB Cc1c(C(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)oc2c(C)cccc12 89689061 UJGRRIFRVDEKFT-AWEZNQCLSA-N 394.435 3.735 0 40 GHAB O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(-c2cn3ccsc3n2)cc1 89793823 CZTRLQCKPAVRJB-UHFFFAOYSA-N 377.425 3.973 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 306134511 NPOOKVZSJPFBSU-IBGZPJMESA-N 398.470 3.515 0 40 GHAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)COc2ccccc2)n1 72379020 XJCCKXVETTYJDZ-IBGZPJMESA-N 376.460 3.572 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccc(F)cc3)C2)cn1 72362493 OOSIFEJXGUONJH-OAHLLOKOSA-N 393.422 3.526 0 40 GHAB Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN2CC(=O)N2CCC(C)CC2)n1 72372494 DXQQIZJKHKGFNS-NRFANRHFSA-N 393.535 3.924 0 40 GHAB O=S(=O)(Cc1cc(F)ccc1F)NC[C@H](c1ccsc1)c1ccco1 670902870 LDSAEGYOESJHSG-OAHLLOKOSA-N 383.441 3.871 0 40 GHAB COc1ccc(NC(=O)C[C@@H](Cc2ccc(Br)cc2)C(=O)O)cc1 35142360 NOHJINFMEWJLMB-CYBMUJFWSA-N 392.249 3.730 0 40 GHAB O[C@@H](c1cccnc1)c1cccc(F)c1N1CCN(Cc2ccccc2F)CC1 72340662 MYBPKDFURXOIRK-QHCPKHFHSA-N 395.453 3.764 0 40 GHAB CCCCCCn1ccc2nc3ncnn3c(-c3cccc(OC)c3)c2c1=O 40398243 GBMLJZRCSAURRN-UHFFFAOYSA-N 377.448 3.695 0 40 GHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 223211473 IEIBHNQFCJPTHB-HZPDHXFCSA-N 380.970 3.721 0 40 GHAB O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCN(c2ccccc2F)CC1 44260750 WDAQEPFIZWERQV-UHFFFAOYSA-N 384.842 3.627 0 40 GHAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 222914540 OIIFAQAYIBVZEG-DLBZAZTESA-N 388.533 3.589 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 225100660 SCEVTLNITUPTQA-NRFANRHFSA-N 382.504 3.707 0 40 GHAB Cc1cnccc1OC1CCN(C[C@@H](O)COc2ccccc2C(C)C)CC1 571451048 IXFVJXFSFXGWCQ-LJQANCHMSA-N 384.520 3.797 0 40 GHAB COc1ccc2oc(C)c(C(=O)NCc3ccccc3Cn3cccn3)c2c1 44919570 QABSJOGELNDCIO-UHFFFAOYSA-N 375.428 3.925 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1F 223754037 OJVZUFQWWNQNCC-KRWDZBQOSA-N 398.478 3.681 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225973437 MXVNYSRGKIKCHV-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB COc1cc(N2CCC(C)CC2)nc(NC(=S)NCc2ccc(C)cc2)n1 225942531 SHEJDURCWVSLOA-UHFFFAOYSA-N 385.537 3.517 0 40 GHAB COc1ccccc1C(=O)NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 96112906 CFHZABUXCGBMSM-INIZCTEOSA-N 397.862 3.541 0 40 GHAB biogenic,in-vitro CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccccc3F)CC2)Oc2ccccc21 96243019 KLYXXHBSWAPUHJ-MRXNPFEDSA-N 396.462 3.503 0 40 GHAB O=C(NC1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1)c1ccccn1 98212632 GAJMVJKBFLHLBJ-UHFFFAOYSA-N 381.867 3.524 0 40 GHAB CCC(CC)C(=O)N1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(N)=O)C1 257240027 HRTCNADYGKORIF-OAQYLSRUSA-N 394.943 3.948 0 40 GHAB Cc1c(C(=O)N2CCC(c3n[nH]c(=N)o3)CC2)oc2c1ccc1ccccc12 636129688 NEBANRDTKWJJAS-UHFFFAOYSA-N 376.416 3.710 0 40 GHAB O=C(Nc1nc(C2CCCCCC2)cs1)N(CCOCCO)C1CCC1 1664041323 PWFGUOWPLWXUGI-UHFFFAOYSA-N 381.542 3.976 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)cnn1 585113700 QFZAGCCJBMDEJB-SFHVURJKSA-N 379.382 3.921 0 40 GHAB O=S(=O)(Cc1ccccc1)Nc1cccc(N[C@@H]2CCCn3ccnc32)c1 585091248 ZCQMLLVYOYAAGD-LJQANCHMSA-N 382.489 3.772 0 40 GHAB COc1cccc([C@H](C)N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)c1 505525311 BVOSAWRTEDFPAS-HNNXBMFYSA-N 388.895 3.876 0 40 GHAB CCCc1ccc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)o1 1615121098 MVKVDIRCUBWLKF-JOCHJYFZSA-N 386.467 3.769 0 40 GHAB O=C1COc2ccc(Cl)cc2N1Cc1ccc(I)cc1 105867773 SFSZVEMNEAXBCZ-UHFFFAOYSA-N 399.615 3.870 0 40 GHAB O=c1[nH]c2cc3c(cc2cc1CNc1ccc(N2CCC[C@@H](O)C2)cc1)CCC3 13563487 BSUOTJQCROWVEH-JOCHJYFZSA-N 389.499 3.590 0 40 GHAB CC[C@H](C(=O)Nc1cccc(F)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712342 YCEGAKCOOQCLSR-MRXNPFEDSA-N 384.860 3.662 0 40 GHAB CC[C@@H](C(=O)NC1CCCCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715894 NIHAFVYYFMVQQI-SFHVURJKSA-N 384.517 3.599 0 40 GHAB Cc1c(Cl)ccc(S(=O)(=O)N2CCN=C2Cc2ccccc2)c1Cl 16780274 HIQFSRCOJKVYTI-UHFFFAOYSA-N 383.300 3.947 0 40 GHAB Clc1cc2c(cc1CN1CCO[C@@H](c3nc(-c4ccccc4)no3)C1)OCO2 19374354 OJZUSGXPAPEHRY-GOSISDBHSA-N 399.834 3.692 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C3CCN(CC)CC3)cc2n1 19522325 PYAUCOOZRYPAFA-QGZVFWFLSA-N 395.473 3.932 0 40 GHAB CCn1cnc2sc(C(=O)NCC(C)(C)c3cccc(F)c3)c(C)c2c1=O 19717378 UPSOEAVVDSVNPV-UHFFFAOYSA-N 387.480 3.633 0 40 GHAB CCn1cnc2sc(C(=O)N[C@@H](c3ccc(OC)cc3)C3CC3)c(C)c2c1=O 19717382 FUPBGKRGWZBDFY-QGZVFWFLSA-N 397.500 3.676 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O)N1CCCC1 983048 LRHRQIVKSTZZOA-SFQUDFHCSA-N 382.441 3.605 0 40 GHAB O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1Cl 4716458 ALIGILQSIFVGIY-UHFFFAOYSA-N 376.661 3.942 0 40 GHAB COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc(OC)c1OC 7342948 GVFNROUWJPQNII-YBEGLDIGSA-N 386.429 3.807 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1cc2cc(Br)ccc2oc1=O 5770013 OZHIXKJDJUPBNY-UHFFFAOYSA-N 388.173 3.537 0 40 GHAB Brc1ccc(-c2csc3ncnc(N4CCOCC4)c23)cc1 1000347 AEFDODGYVZBVQQ-UHFFFAOYSA-N 376.279 3.957 0 40 GHAB Fc1cccc(F)c1CSc1nnc(-c2cnccn2)n1Cc1ccco1 16807830 SXIISQUQPLUVSE-UHFFFAOYSA-N 385.399 3.947 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(N2CCCC2=O)cc1 31461410 OOVKLFURRXJMQA-UHFFFAOYSA-N 393.487 3.613 0 40 GHAB NC(=O)N[C@@H](CC(=O)N1CCC(CCc2ccccc2)CC1)c1ccccc1F 32470531 NYGYHOQSZMXKJE-NRFANRHFSA-N 397.494 3.797 0 40 GHAB O=C(c1cc2c(s1)CCC2)N1CCC2(CCCN(c3ncccn3)C2)CC1 1565554288 MYOSXWJWFVMAFW-UHFFFAOYSA-N 382.533 3.550 0 40 GHAB COc1cc(C(=O)Nc2c(Cl)ccc3nsnc23)cc(OC)c1OC 2331632 RVSUNLHTZKWYKX-UHFFFAOYSA-N 379.825 3.623 0 40 GHAB O=C(CSCC(=O)N1CCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1 2723366 BLRUKAMNPVUJHQ-UHFFFAOYSA-N 395.937 3.758 0 40 GHAB COc1ccc(CC(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 4079394 HXSCJNGDKLTFEX-UHFFFAOYSA-N 399.497 3.703 0 40 GHAB Cc1ccc(N(C(=O)Cc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1Cl 4165278 VZTALRFSHPJHNM-KRWDZBQOSA-N 375.877 3.535 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1cccc(Cl)c1 4328042 NGARPTQVLMVEIM-UHFFFAOYSA-N 396.863 3.571 0 40 GHAB CCn1/c(=N/C(=O)CCOc2ccccc2)sc2c(OC)ccc(OC)c21 100908822 BRJMLOFNPGKNII-MRCUWXFGSA-N 386.473 3.636 0 40 GHAB C/C(=C\c1ccccc1)C(=O)N1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 575614600 YESUNZGTFSUPRC-WYMLVPIESA-N 390.409 3.556 0 40 GHAB CC(C)CCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 6906733 FGAZKNHZUPTQHS-IFMALSPDSA-N 387.483 3.800 0 40 GHAB biogenic CCC(=O)N1N=C(c2ccc(OC)c(OC)c2)C[C@H]1c1cc(OC)ccc1OC 40158765 JLXDJLOQWDNSLU-SFHVURJKSA-N 398.459 3.809 0 40 GHAB COC(=O)c1sccc1NS(=O)(=O)c1ccc(Cl)c2ncccc12 40152687 FKBUSFMINNUZNP-UHFFFAOYSA-N 382.850 3.537 0 40 GHAB COc1ccc(Oc2ccc(CNC(=O)[C@H]3COc4ccccc4C3)cn2)cc1 40142401 OKODZJYMBKZRKR-GOSISDBHSA-N 390.439 3.750 0 40 GHAB COc1ccc2c(ccn2CC(=O)Nc2nnc(Cc3ccccc3)s2)c1 40268660 CTJZXQASKPLTQO-UHFFFAOYSA-N 378.457 3.731 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1C 31815356 ZECYZUUYBDZKMX-MRXNPFEDSA-N 395.850 3.737 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc(F)cc1)NC[C@H]1CCN(c2ccccc2)C1 51375806 FXRJDFUISBOYPZ-XMSQKQJNSA-N 381.495 3.605 0 40 GHAB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1ccc(F)cc1 1914205 WFAQQQJZKLVEEP-RGFVMQALSA-N 380.419 3.611 0 40 GHAB biogenic Cc1ccc(Nc2nc(CN3Cc4ccccc4C[C@@H]3C(N)=O)cs2)cc1 32738514 LJJQKGPNSQNZEN-LJQANCHMSA-N 378.501 3.607 0 40 GHAB Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1CCc1ccc(F)cc1 2725925 COLPEPUIHDKUNM-UHFFFAOYSA-N 390.509 3.895 0 40 GHAB COc1ccc(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cn1 21534938 WJBUNLZSOIEHOW-UHFFFAOYSA-N 379.294 3.516 0 40 GHAB COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)O[C@@H]1CC[C@H](C)[C@@H](C)C1 4595253 HUYGQRAVZXPWSL-CTQRGLTFSA-N 388.533 3.856 0 40 GHAB CCCNC(=S)N(Cc1cc2cc(CC)ccc2n2nnnc12)C1CCCC1 4910965 YTUUEBZWVLUIEX-UHFFFAOYSA-N 396.564 3.869 0 40 GHAB Cc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)c1 4965070 ALRSFVJXSPKAEP-IBGZPJMESA-N 398.532 3.641 0 40 GHAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(Cl)cn1 6344269 KHWGTOMBEWXYSL-UHFFFAOYSA-N 391.909 3.929 0 40 GHAB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccccc1C(=O)O 6962321 GZLXYLIRCSILGE-FSJBWODESA-N 379.391 3.695 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)N[C@H](C)c3ccc(F)cc3)n2)cc1C 41254986 RHEWISHKFWMNIB-QGZVFWFLSA-N 393.462 3.934 0 40 GHAB O=C(Nc1cccc(-c2n[nH]c3c2CCC3)c1)C1=NN(c2ccccc2)C(=O)CC1 32933570 QFYWHMRHBJJUQE-UHFFFAOYSA-N 399.454 3.687 0 40 GHAB O=C(OCC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)c1cccc(O)c1 8447538 GDVYPIPJUSRQHK-HXUWFJFHSA-N 389.407 3.716 0 40 GHAB Cc1ccc([C@@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4cccc(F)c4)cnn32)cc1 102810827 HGFHVNKAJIARSW-SFHVURJKSA-N 392.390 3.566 0 40 GHAB O=C(NCc1ccco1)[C@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33169578 ABPAMVUDJCDAMC-AWEZNQCLSA-N 376.416 3.502 0 40 GHAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccccc1N1CCCCC1 679117 PAZQQCBKCBTSJO-UHFFFAOYSA-N 383.517 3.877 0 40 GHAB O=C(/C=C/c1ccc(-c2ccccc2F)o1)N1CCN(C(=O)c2ccco2)CC1 9053524 PELHHUQDTWSXTK-CSKARUKUSA-N 394.402 3.677 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 104022329 PWRDREKPXBQYHO-LDDOYCOJSA-N 388.489 3.635 0 40 GHAB COC[C@@H](C)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 2799882 HCQAIHCFWLPMPS-VXGBXAGGSA-N 399.438 3.794 0 40 GHAB O=C(CSCC(=O)N[C@@H]1CCCC[C@H]1Cc1ccco1)Nc1ccccc1 59461547 TZRLBMOUNPNAHH-QFBILLFUSA-N 386.517 3.869 0 40 GHAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=O)c2cccs2)cc1 7988801 PJGKOUUMVXWJGW-INIZCTEOSA-N 394.452 3.570 0 40 GHAB C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(NC(N)=O)cc1 104256879 JRGAUMFRKBWMDR-NSHDSACASA-N 383.839 3.712 0 40 GHAB Cc1ccc(N(Cc2ccco2)C(=O)Cn2cnc3ccc(F)cc3c2=O)cc1 23113058 GKKVMSFPEOQFEI-UHFFFAOYSA-N 391.402 3.670 0 40 GHAB COc1ccc(OCCN(C)C(=O)c2ccc(OC)c(Br)c2)cc1 8095125 NGFSXBXUTRQPKS-UHFFFAOYSA-N 394.265 3.617 0 40 GHAB CC[C@@H]1CCc2c(sc3ncn4nc(CCn5nc(C)cc5C)nc4c23)C1 2803791 VUOXNDQRGORTGS-CQSZACIVSA-N 380.521 3.910 0 40 GHAB CN(CCOc1ccc(Br)cc1)C(=O)[C@H]1COc2ccccc2C1 24352363 VPHYBITXBNUHID-OAHLLOKOSA-N 390.277 3.538 0 40 GHAB COc1ccc2c(c1)CCCN2C(=O)Cn1c(CSC)nc2ccccc21 24876431 BNLBZCCNEFTIDD-UHFFFAOYSA-N 381.501 3.887 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 113940041 PCPOTPLUTPBHHX-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc2c(c1)CCCC2 25321331 QKKPBVZDKATYEW-JXFKEZNVSA-N 380.488 3.888 0 40 GHAB CCOCCOCc1cccc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)c1 47604197 YZVGBGATSKQHRQ-UHFFFAOYSA-N 377.529 3.670 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N(C)c3ccccc3)o2)cc1 10045043 AQBXPYVRLCNLHB-UHFFFAOYSA-N 378.428 3.789 0 40 GHAB COCCn1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc21 57419305 UBRMGPWLZBSSHH-UHFFFAOYSA-N 391.515 3.682 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Sc2nccn2-c2cccc(OC)c2)cc1 23050635 HHPZDRLJHZGBIG-HNNXBMFYSA-N 397.500 3.687 0 40 GHAB COc1ccccc1-c1nn(Cc2ccccc2)cc1CNCCN1CCCC1 22925152 ACGMNOHHQKAPEF-UHFFFAOYSA-N 390.531 3.792 0 40 GHAB CC(C)n1ncc2cc(NC(=O)CCc3nc(-c4cccs4)no3)cnc21 27022845 BUDLQBTYBZERLF-UHFFFAOYSA-N 382.449 3.695 0 40 GHAB O=C(CCSc1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 21600671 SPIFBUZRGQUPDV-INIZCTEOSA-N 384.501 3.716 0 40 GHAB CCCOc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1 20528603 VHZDFWPFVGVYHU-UHFFFAOYSA-N 379.445 3.894 0 40 GHAB Cc1ccccc1[C@@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 20037483 RIFCZCUTZJHPJS-NRFANRHFSA-N 394.496 3.886 0 40 GHAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1 12654910 NHMAUDLNFYVJIE-JWGURIENSA-N 386.451 3.783 0 40 GHAB biogenic CCCCCn1c(-c2cccc(OC)c2)nc2c1c(=O)[nH]c(=O)n2CCCC 12603717 JRYHYXLAAWNXSC-UHFFFAOYSA-N 384.480 3.552 0 40 GHAB CC[C@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccc(Cl)cc1 58953253 ZVVKMLVYYOUZQX-SFHVURJKSA-N 377.916 3.835 0 40 GHAB CCOc1cccc(C(=O)Nc2nnc(Cc3ccc(OC)c(OC)c3)s2)c1 2454114 NRTLIMXJYHSDLG-UHFFFAOYSA-N 399.472 3.797 0 40 GHAB C[C@@H](NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 45624951 OQHXXBKCZUEUIO-VXGBXAGGSA-N 397.363 3.950 0 40 GHAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)N2CCc3ccccc3C2)cc1 3334835 URPUEFNCGGVTTC-UHFFFAOYSA-N 395.499 3.881 0 40 GHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCCN1CCOCC1 48285326 HVVBVUWKPRYVRA-UHFFFAOYSA-N 393.940 3.614 0 40 GHAB CC[C@H](NC(=O)CNC(=O)Cc1cccc2ccccc12)c1ccc(OC)cc1 12814925 MYCDENWROBFZDQ-QFIPXVFZSA-N 390.483 3.775 0 40 GHAB COC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccc(OC)cc1 3492334 YYNKDYWPASOWES-UHFFFAOYSA-N 389.864 3.861 0 40 GHAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@@H]1Cc2ccccc2O1 12918076 WBIAHQKPLXSTTR-QFIPXVFZSA-N 386.451 3.601 0 40 GHAB O=C(c1cccc2ncccc12)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 12983205 VDHAOKQUQWMGQH-UHFFFAOYSA-N 399.494 3.672 0 40 GHAB O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)NCc1ccco1 21524580 WKLPRKVZNQULNI-UHFFFAOYSA-N 375.384 3.692 0 40 GHAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)ccc1Cl 20482361 HDDGLCYEPYQVMW-GFCCVEGCSA-N 377.824 3.931 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 17077142 WXMJQYDLFYIBAG-BLLLJJGKSA-N 377.282 3.911 0 40 GHAB CC1(C)Cc2c(sc3[nH]c(=O)n4nc(-c5ccccc5Cl)nc4c23)CO1 13550425 JEIKKADHODPELO-UHFFFAOYSA-N 386.864 3.804 0 40 GHAB CC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)n1cnc2ccccc2c1=O 13723759 SCLHCURQLCDBIM-MRXNPFEDSA-N 391.349 3.885 0 40 GHAB Cc1ccc(/C=c2/sc3nc(-c4ccc(OCC(C)C)cc4)nn3c2=O)cc1 6283770 PMAKRSZKVAQUIL-XDHOZWIPSA-N 391.496 3.709 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)c1C 408576242 WLOQLFXZCIEGEP-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB COc1ccc(-c2nc3c(s2)CN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 5428235 IMMOWVPUDWEEFD-UHFFFAOYSA-N 394.452 3.746 0 40 GHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)Cn1c(C)cc2ccccc21 14671282 JDABSDQIYQBMGK-UHFFFAOYSA-N 397.906 3.768 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Br)ccc2O)cc1 4807980 NEVROHDRGNUQMQ-NSHDSACASA-N 378.222 3.647 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4[nH]cnc4c3)n2)cc1 8718770 PFEUFKSGLLPSDS-UHFFFAOYSA-N 377.429 3.897 0 40 GHAB Cc1cc2nc(SCC(=O)N[C@H]3CCc4ccccc43)n(C(C)C)c(=O)c2[nH]1 67236172 MVSMNAYSTVPLJY-INIZCTEOSA-N 396.516 3.510 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)CSc1nc(C(F)(F)F)nc2ccccc12 7074044 YAWPKGRLEYBFHT-UHFFFAOYSA-N 395.410 3.730 0 40 GHAB COc1ccc(-c2nnc(S[C@H](C(=O)NC3CC3)c3ccccc3)n2C)cc1 7180257 FUAYAPHNHFJLOI-SFHVURJKSA-N 394.500 3.603 0 40 GHAB Cc1nc2nc(SCC(=O)Nc3cccc(F)c3)[nH]c2cc1Br 15880036 XQRXDTQLZUZWGY-UHFFFAOYSA-N 395.257 3.899 0 40 GHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc21 15867629 HOJVELIMKFRCKX-UHFFFAOYSA-N 389.452 3.805 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)NC(C)(C)C2 19874498 VMSUUWJLPVLAJW-HXUWFJFHSA-N 387.476 3.743 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(CCc2ccccc2)CC1 95352918 PGUXNRJHAMAYIR-UHFFFAOYSA-N 376.422 3.635 0 40 GHAB COCCn1cc(CCC(=O)Nc2cccc(NC(C)=O)c2)c2ccccc21 79480603 HXEJGOBSJXDGTD-UHFFFAOYSA-N 379.460 3.817 0 40 GHAB Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1 98212904 RYKSNGZRHSLFES-UHFFFAOYSA-N 378.451 3.923 0 40 GHAB CCCN1CCC(N2CCN(Cc3csc(-c4ccc(C)o4)n3)CC2)CC1 95958666 ZBDYJEFQWYOVAD-UHFFFAOYSA-N 388.581 3.704 0 40 GHAB O=C(CC1(CC(=O)c2ccc(Cl)s2)CCCCC1)N[C@@H]1CCCNC1=O 89800109 BPBQJTONEKAZRH-CYBMUJFWSA-N 396.940 3.710 0 40 GHAB COC(=O)CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 65090613 UXVOGLKHLSGQNH-UHFFFAOYSA-N 382.891 3.904 0 40 GHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCCC2)C12CCCC2 32103987 AFLVIHDXCHPGRV-FQEVSTJZSA-N 384.520 3.634 0 40 GHAB O=C(/C=C\c1ccc(OC(F)F)cc1)N1CCN(Cc2cccc(F)c2)CC1 33580351 DJZQJXSBMBRNDI-TWGQIWQCSA-N 390.405 3.785 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H](c3nccnc3Oc3cccnc3C)C2)cn1 72384106 WXAVLDIOPJVBLL-GOSISDBHSA-N 389.459 3.696 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN(Cc3ccccc3)C1)CC2 48260763 JJHZHQDDLFGAMX-FQEVSTJZSA-N 394.515 3.501 0 40 GHAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 219328482 RALJYDADXKALEL-RBUKOAKNSA-N 393.480 3.654 0 40 GHAB COCCN(Cc1cccn1C(C)C)C(=O)c1ccc2c(c1)nc(Cl)n2C 222559851 KELIOSRWFLHNOM-UHFFFAOYSA-N 388.899 3.898 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)C(C)C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225225936 KZPPFAYCHMIPAZ-NHYWBVRUSA-N 395.352 3.699 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 225468291 RJYIZMBPPCQCDK-LJQANCHMSA-N 382.504 3.788 0 40 GHAB CCOC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(SC)cc1 224972949 GAIXELLJKAQBOC-UHFFFAOYSA-N 393.530 3.784 0 40 GHAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc21 223069976 VZPPKOUFBBORNU-UHFFFAOYSA-N 385.272 3.568 0 40 GHAB CCCCc1ccc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 220087806 HZZBUTTZIIYSCW-UHFFFAOYSA-N 396.459 3.712 0 40 GHAB CCOc1ccc(CNC(=O)CCc2ccc3c(c2)OCCO3)cc1OCC 222641662 UTMNHBYVJVGVOJ-UHFFFAOYSA-N 385.460 3.504 0 40 GHAB CN(C)CCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 82230490 PPMFMAOFTZHACB-FSSNKTKLSA-N 389.580 3.562 0 40 GHAB in-vitro CCCC(=O)Nc1nc(-c2ccc(Br)cc2)c(CC(=O)O)s1 85397389 RFWCXGQRJWEIBI-UHFFFAOYSA-N 383.267 3.938 0 40 GHAB COc1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1-c1ccc(C(=O)O)o1 226352828 QYKWRYGVSWCYTD-UHFFFAOYSA-N 391.376 3.593 0 40 GHAB O=C(c1ccc2ccccc2n1)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238750 SLLIDMVOAAWSGH-HSZRJFAPSA-N 389.430 3.643 0 40 GHAB CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cnco1 257310006 UDHZZGSAXZHBDL-SLIDZQALSA-N 379.504 3.763 0 40 GHAB Cn1cncc1CN1CCC2(CC1)CO[C@@H]1c3ccccc3OC(C)(C)[C@H]1C2 257219797 DIFGROPIFYUYFJ-PZJWPPBQSA-N 381.520 3.951 0 40 GHAB CC[C@@H](NC(=O)Nc1ccnn1[C@@H](C)CC(C)C)C(=O)NCc1cccs1 646354827 RAADSDQMIDTBDH-GOEBONIOSA-N 391.541 3.768 0 40 GHAB C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)c3ccc(C(F)F)nc3)CC2)n1 585090839 QJDRJWGBZHLFQI-FZMZJTMJSA-N 376.407 3.621 0 40 GHAB CC(C)(NCc1c(O)nnn1-c1ccccc1)c1ccc(Br)cc1 50898710 VAEQLQDUQPGSAK-UHFFFAOYSA-N 387.281 3.760 0 40 GHAB CC(=O)Nc1ccc(SCCCC(=O)Nc2ccc(F)c(Cl)c2)nn1 11793387 MXNLZEGNLZWYKY-UHFFFAOYSA-N 382.848 3.739 0 40 GHAB CC(C)n1c(CN2CCC3(CC2)NC(=O)c2ccccc2O3)nc2ccccc21 12146025 CCBNCAQNMCCUIH-UHFFFAOYSA-N 390.487 3.732 0 40 GHAB CCc1cc2c(CN(CC)C[C@@H]3COc4ccccc4O3)cc(=O)oc2cc1O 12803237 GYBAOZHXMRDMAG-QGZVFWFLSA-N 395.455 3.723 0 40 GHAB Cc1sc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)nc1-c1ccc(F)cc1 15940399 ZMDBBRZGNBAGSH-ACJLOTCBSA-N 391.493 3.650 0 40 GHAB COc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1Br 19359368 YYBQGKNCXLPPSM-BPQIPLTHSA-N 391.353 3.788 0 40 GHAB CCCC[C@@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 19502164 HQHPYWFZAPQPGI-IBGZPJMESA-N 388.585 3.574 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Cn2nc(C)c(C)c2C)c(OC)c1 19556767 MQJCPKMGAKOSMV-XOBRGWDASA-N 385.508 3.825 0 40 GHAB CC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)C1 19706791 NRYVOWQTUXYDPM-SFHVURJKSA-N 382.483 3.603 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4ccncc4)C3)cc2N1 12182464 MSAKNRHVKQFYBI-SQWLQELKSA-N 393.413 3.605 0 40 GHAB CC(=O)Nc1cccc(C(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)c1 7706819 MAJRKDURYUZOOS-AWEZNQCLSA-N 398.484 3.719 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(OC)c1OC 10544474 ROBGZYBOMWKAFW-AWEZNQCLSA-N 395.459 3.609 0 40 GHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(CC)s3)cc21 22666553 WJOHISJZNQWWOC-UHFFFAOYSA-N 378.519 3.801 0 40 GHAB CSc1ccccc1C(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 44035498 QUZIXWFTGVPUHR-UHFFFAOYSA-N 382.407 3.882 0 40 GHAB Cc1nccc(O[C@H]2CCN(C(=O)c3c(-c4ccccc4Cl)noc3C)C2)n1 575611132 AOKHHGJQDRMBTJ-AWEZNQCLSA-N 398.850 3.695 0 40 GHAB CC(=O)NCCCCCC(=O)NCc1ccnc(Oc2cc(C)cc(C)c2)c1 40107653 VAUZUSXSWJKQHK-UHFFFAOYSA-N 383.492 3.803 0 40 GHAB O=C(O)C1CCN([C@H]2C(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)CC1 20102539 ZZCBMVDTMVTKTJ-RTBURBONSA-N 384.863 3.589 0 40 GHAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(C(=O)O)cc2)c1 40268094 IXJVJGATSMAYFZ-OAHLLOKOSA-N 393.399 3.711 0 40 GHAB CC(=O)N[C@H]1C(=O)N(CCOc2ccc(Cl)cc2Cl)c2c(C)cccc21 100485577 YKIMNJJDCXJXTL-QGZVFWFLSA-N 393.270 3.905 0 40 GHAB COc1ccc(C(C)=O)cc1COC(=O)COc1cccc(Br)c1 20791771 BSYIZDXVWAGYTE-UHFFFAOYSA-N 393.233 3.783 0 40 GHAB CCN(Cc1cc(=O)n2ccsc2n1)Cc1ccc(Br)s1 20814867 OARVMFIASQAWOA-UHFFFAOYSA-N 384.324 3.602 0 40 GHAB Cc1nnc(SCC(=O)Nc2nc3c(F)c(F)c(F)cc3s2)n1C1CC1 8341827 JMOVAWYTYAQBDD-UHFFFAOYSA-N 399.423 3.679 0 40 GHAB CC(C)(C(=O)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1)c1ccccc1 32771113 OVODCKGMWXAFAS-UHFFFAOYSA-N 393.462 3.569 0 40 GHAB COc1cccc(-c2noc(CSCC(=O)N[C@H]3CCCC[C@@H]3C)n2)c1 32779079 CYYKOXLZAFPLJR-BBRMVZONSA-N 375.494 3.673 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)C1CCN(C(=O)C(C)(C)C)CC1 21511447 COBMIWMOQXJDCL-OAHLLOKOSA-N 398.503 3.875 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc[nH]2)cs1)c1ccc(Cl)cc1 32879955 CVBOUCSVBITUCH-HNNXBMFYSA-N 388.880 3.998 0 40 GHAB CC(C)[C@@H](C(=O)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 4360198 NJSDEBIPJDEQOB-GOSISDBHSA-N 385.847 3.919 0 40 GHAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccccn2)cc1 7499659 WGVNCMZZTOGBFY-UHFFFAOYSA-N 399.450 3.899 0 40 GHAB COCCN(Cc1ccccc1)C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 37117629 POWKPWXYUVMRQF-QFIPXVFZSA-N 378.472 3.626 0 40 GHAB COc1cc([C@@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ncnn32)ccc1O 102725024 ODSPIWBYCZGRBF-CWTRNNRKSA-N 378.388 3.651 0 40 GHAB COc1cc(CCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc(OC)c1 10446703 FSAUPFFQJFUASD-UHFFFAOYSA-N 396.487 3.514 0 40 GHAB CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 56298732 VRZGEZPWSHWSJW-UHFFFAOYSA-N 392.286 3.633 0 40 GHAB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1c(C)cccc1C 8417334 QQEVJBBZRUJHOB-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(C)cc2C)n1 8476448 IXJUJOVEHNVLIB-UHFFFAOYSA-N 378.476 3.626 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CCOc1ccccc1F 8852615 VNMGQAFGTMNKOY-ZDUSSCGKSA-N 380.847 3.826 0 40 GHAB C[C@@H](NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)c1ccc(F)cc1F 22277296 NLMVRNOTKCCEQI-CQSZACIVSA-N 393.455 3.929 0 40 GHAB C[C@H]1CCN(C(=O)CCn2cnc3ccccc3c2=O)c2ccccc2S1 22258217 CXIIAMJIUFROEO-HNNXBMFYSA-N 379.485 3.704 0 40 GHAB Cc1cc(C(F)(F)F)n2nc(-c3nnc(-c4ccc5c(c4)OCO5)o3)cc2n1 2803618 VKRHYBXZMBWIHF-UHFFFAOYSA-N 389.293 3.502 0 40 GHAB CCc1ccccc1NC(=O)CN1CCN(CCSc2ccc(C)cc2)CC1 22787189 FLUAUCSGPWQUMR-UHFFFAOYSA-N 397.588 3.906 0 40 GHAB CC(C)c1ccc(CN2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 22771407 SVSIKNZVGMHZBI-GOSISDBHSA-N 390.531 3.925 0 40 GHAB COc1ccc(Br)cc1CN1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 103816942 HZIUADIWXDMZDB-RKVPGOIHSA-N 379.342 3.764 0 40 GHAB COc1cccc(CNc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)c1 23908204 LAENOUPZZWQFKO-UHFFFAOYSA-N 398.532 3.761 0 40 GHAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nccc(C(F)(F)F)n2)c(C)c1 25053474 GPMZXCBNIIGQSW-LLVKDONJSA-N 398.410 3.941 0 40 GHAB CCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 113937276 QACDPEJRMRJQMP-UHFFFAOYSA-N 380.897 3.695 0 40 GHAB O=C(CSc1nncn1-c1ccccc1)Nc1cccc(Br)c1 3291468 OSLKTSJHHCYGDN-UHFFFAOYSA-N 389.278 3.761 0 40 GHAB C[C@@H](CN1CCN(C[C@H](C)C(=O)c2ccccc2)CC1)C(=O)c1ccccc1 22581566 GIGZBFNCAMWHDI-PMACEKPBSA-N 378.516 3.642 0 40 GHAB CC(C)CN1CCO[C@H](CNC(=O)c2cnc(-c3ccccc3Cl)s2)C1 78718346 ITGBXGSZKANIBV-CQSZACIVSA-N 393.940 3.550 0 40 GHAB CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 57121135 LVYJPTKNDNVDSX-UHFFFAOYSA-N 387.288 3.934 0 40 GHAB CCn1cnnc1CNC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 58228185 VLYCTPSLUMTSOW-MRXNPFEDSA-N 375.885 3.602 0 40 GHAB CCN1CCN(C2(CNC(=O)c3ccc(OC(C)C)cc3)CCCCC2)CC1 28293515 LDPZQGIQWRUJMU-UHFFFAOYSA-N 387.568 3.544 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N(C)C)cc1 28289778 ZYDFDJVCSSRHQS-LJQANCHMSA-N 378.472 3.751 0 40 GHAB CNC(=O)CN(C)c1nc(-c2ccccn2)nc2sc(-c3ccccc3)cc12 12783590 HSVQENXVZQEIAN-UHFFFAOYSA-N 389.484 3.603 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCc2ccccc2)cc1 409180238 XGOYTCCAJDQEKI-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccccc1Oc1ccccc1 12812628 KGWJETHCVBSCHD-UHFFFAOYSA-N 393.424 3.996 0 40 GHAB O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(Cc2ccccc2)C1 3409646 FDOYLIONKVWWFS-INIZCTEOSA-N 391.298 3.701 0 40 GHAB CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccccc2-c2ccccc2)C1 13010511 IAEHSBOBCSPEPJ-IBGZPJMESA-N 380.488 3.957 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(F)cc2)N1C[C@@H]1CCCO1 13126949 BEHLPQAYVRALQI-YCRPNKLZSA-N 393.418 3.646 0 40 GHAB CC[C@H](NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(C)cc1 20041448 IIWKOPJXEJKGSP-IBGZPJMESA-N 388.533 3.645 0 40 GHAB CCN(C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O)C1CCCCC1 6087202 FKVZGVRQMSKBOR-UHFFFAOYSA-N 382.291 3.885 0 40 GHAB COc1ccc([C@H](CNC(=S)c2ccc(NC(C)=O)cc2)N2CCCC2)cc1 6084756 CAAIIZBFWZPWIA-NRFANRHFSA-N 397.544 3.756 0 40 GHAB CC[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1OC 49700365 IEURSORKMPIFNY-GOSISDBHSA-N 380.404 3.670 0 40 GHAB Cc1cc(C)c(C(=O)[C@H](C)OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1C 39476767 CGQLKGDAZKZVRI-INIZCTEOSA-N 393.439 3.693 0 40 GHAB CC(C)Cc1ccc(S(=O)(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)cc1 79105715 AKDPHSIAUYLZSK-YLJYHZDGSA-N 375.534 3.718 0 40 GHAB CCCCN(C(=O)/C=C/c1cnn(C)c1C)c1nc(C)c(C(=O)OCC)s1 13961429 MLVZQZFOKMYNER-MDZDMXLPSA-N 390.509 3.517 0 40 GHAB C[C@@H](Oc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cn1)c1ccccc1 65477303 CPUOMOYCKFUXKJ-VQIMIIECSA-N 379.460 3.847 0 40 GHAB O=C(OCC(=O)N1CCC(c2ccccc2)=N1)c1cc2c(s1)CCCCC2 5362487 YTMWZGIVTNPHFJ-UHFFFAOYSA-N 382.485 3.810 0 40 GHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCCc1cccc2cccnc12 14198713 ZAKQLAAUISURIC-UHFFFAOYSA-N 395.846 3.545 0 40 GHAB Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)N(CC(C)C)C2=O)c1 4704121 ZNRGDIDPUVMJHJ-LJQANCHMSA-N 397.450 3.956 0 40 GHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)C(C)(C)C)nc1 5689269 CGVIIBAFWUSPFV-UHFFFAOYSA-N 384.567 3.742 0 40 GHAB COCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1Cl 9010409 JMQBMFLTNGNREF-UHFFFAOYSA-N 384.863 3.779 0 40 GHAB Cc1cc(OCCCC(=O)NC[C@@H]2COc3ccccc3O2)ccc1Cl 6946308 PKLNNPRCRBEBMM-MRXNPFEDSA-N 375.852 3.764 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2n[nH]c3ccccc23)cc1 6975553 RPMBSMHRXYMDME-CYBMUJFWSA-N 379.416 3.730 0 40 GHAB COC(=O)Cc1ccc(OC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 15356354 NIEOYLKONAXYPK-UHFFFAOYSA-N 385.416 3.813 0 40 GHAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c(OC)c1OC 67774115 CHIGHJBUOVZXCB-UHFFFAOYSA-N 393.443 3.639 0 40 GHAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccc(Br)c1 7683473 LPDAWZBCTRQZER-UHFFFAOYSA-N 377.629 3.936 0 40 GHAB CC(C)NC(=O)NCc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 8026945 DHNFQFURQKUFQY-UHFFFAOYSA-N 392.503 3.669 0 40 GHAB Cc1ccc(Cl)c(NC(=O)CN(C)CC(=O)Nc2ccc(F)cc2)c1Cl 8121377 OTYNXGNPSCITBY-UHFFFAOYSA-N 398.265 3.950 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(-c3nc(C)no3)cc2)c1C 22829763 UZJFGXNZJGDLCF-ZDUSSCGKSA-N 395.415 3.621 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccccc1 9236368 RACGIKVLNWRPQQ-IAGOWNOFSA-N 399.907 3.946 0 40 GHAB COc1cc(-c2ccccc2)sc1C(=O)N(C)Cc1nnc2ccccn12 83867912 IDCWBSLUJDXJRT-UHFFFAOYSA-N 378.457 3.739 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](C(=O)OC(C)(C)C)C(C)C 95415957 IAEKXOCKABMAFA-KRWDZBQOSA-N 384.904 3.551 0 40 GHAB CCc1nn(C)c(Cl)c1C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 95981743 VLDAOUSQBLNFCN-UHFFFAOYSA-N 398.850 3.721 0 40 GHAB O=c1[nH]c2ccccc2n1C1CCN(Cc2csc(-c3ccoc3)n2)CC1 95953635 UUYJDNKXYVFGLB-UHFFFAOYSA-N 380.473 3.883 0 40 GHAB CCOc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)OCO3)cc1OCC 26942378 GIIANSDMEROIHQ-UHFFFAOYSA-N 385.416 3.814 0 40 GHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2CN(Cc3ccncc3)C[C@@H]21 306128573 HFDWTPMKFKDOPS-PXNSSMCTSA-N 382.510 3.565 0 40 GHAB CCCCC(=O)Nc1ccc(NC(=O)COc2ccc(OC)cc2)cc1OC 408622694 QRERADVJGFVLMY-UHFFFAOYSA-N 386.448 3.850 0 40 GHAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccsc1C(F)(F)F 529519191 HZNBUDQAVPQELF-SNVBAGLBSA-N 378.441 3.607 0 40 GHAB O=C(Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1)c1ccco1 33068244 BWFXUKAHQBKGHG-UHFFFAOYSA-N 395.802 3.772 0 40 GHAB O=C(CCn1ccc2c(Br)cccc21)N=c1[nH]c2ccccc2[nH]1 39977085 JKWFELCSYFCLNV-UHFFFAOYSA-N 383.249 3.731 0 40 GHAB CN1C(=O)/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)NC1=S 39556835 VPVOHTONELIXHF-RGEXLXHISA-N 391.496 3.798 0 40 GHAB COc1cccc(-c2cc(C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)n[nH]2)c1 72328235 PGXRFIPMSSLLAT-ZDUSSCGKSA-N 381.432 3.594 0 40 GHAB Cc1cccc(-n2nc(-c3nc(-c4ccncc4)no3)c3ccccc3c2=O)c1 38652078 STCYZACQQPUYOQ-UHFFFAOYSA-N 381.395 3.806 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1C(=O)O 32097447 HBWBHVYPZNUPSW-UHFFFAOYSA-N 388.445 3.933 0 40 GHAB CCc1cccc(NC(=O)COc2cc(C(=O)OC)nc3ccc(F)cc23)c1 65033297 CVYLUKKFKJCVAS-UHFFFAOYSA-N 382.391 3.740 0 40 GHAB O=C(c1cccc(-n2cnnn2)c1)N1CCS[C@H](c2ccccc2Cl)CC1 211145592 SHPZZRVOKHVHGO-SFHVURJKSA-N 399.907 3.636 0 40 GHAB Cc1ccsc1CN(C(=O)c1ccc(=O)n(C)n1)c1ccc(F)c(Cl)c1 60638946 RWGXAWDHLQEZFO-UHFFFAOYSA-N 391.855 3.790 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225869994 PBJDTDMSUALFLM-OAHLLOKOSA-N 390.505 3.612 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 224702804 OYNQUCYBSNELPH-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB CC[C@@H](NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccccc1OC 40133742 VKCANAUHGLRZIF-GOEBONIOSA-N 388.899 3.623 0 40 GHAB CO[C@@]1(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)CCC[C@H](C)C1 225634446 NUHHPCPZTRPWRZ-JTSKRJEESA-N 388.508 3.612 0 40 GHAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)cc1 223825197 IROXVBQORFFOME-VQTJNVASSA-N 378.501 3.996 0 40 GHAB CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224811890 BFNXKMDJRCJPIY-UHFFFAOYSA-N 389.395 3.938 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1F 224112514 HGWNROBTJICSEE-SFHVURJKSA-N 396.506 3.887 0 40 GHAB CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccc(Cl)cc1 49007660 LPWSDTYFIDYQSY-UHFFFAOYSA-N 386.864 3.747 0 40 GHAB O=C(CNC(=O)Nc1ccccc1OC(F)(F)F)Nc1ccc(F)c(F)c1 48325151 HHEILIDZOIGXMG-UHFFFAOYSA-N 389.280 3.624 0 40 GHAB C[C@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)N1CCCCCC1 227153259 SJSFYWGKFUVTNI-AWEZNQCLSA-N 392.297 3.805 0 40 GHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCOc2ccccc2)cc1 225105892 HTFGQALWGCZXKS-PGMHBOJBSA-N 390.439 3.554 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 575444496 KGJMNHPXQXHXLU-ORAYPTAESA-N 380.448 3.878 0 40 GHAB COc1cc2cc(C(=O)Nc3nc(-c4ccncc4)cs3)[nH]c2cc1OC 96118638 VMDJGUBJZMAJDY-UHFFFAOYSA-N 380.429 3.956 0 40 GHAB COCCn1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21 95478230 OGWLKBAEEWDFKD-UHFFFAOYSA-N 379.435 3.881 0 40 GHAB COc1ccccc1C(=O)NC[C@H]1CC[C@H]([C@H](NC(C)=O)c2ccccn2)CC1 257316802 VHAYLWBQWGNZCD-SPEDKVCISA-N 395.503 3.504 0 40 GHAB CCn1ccnc1CN(C)[C@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257233812 GQVNKQNMVOATRW-VMYYHUPOSA-N 397.563 3.970 0 40 GHAB CC(C)c1csc([C@@H]2CCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)n1 675332652 FIAFNCUNVURIKC-OAHLLOKOSA-N 381.505 3.867 0 40 GHAB O=C(NCC(F)(F)c1cccc(F)c1)Nc1ccccc1C(=O)N1CCCC1 665372061 YTNQQNFQISVMNC-UHFFFAOYSA-N 391.393 3.975 0 40 GHAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)N[C@@H]2CCc3ccc(F)c(F)c32)cn1 685939004 RVQAYWAPYQFBPS-MDZRGWNJSA-N 390.434 3.559 0 40 GHAB O=C(NCC1(c2ccc(F)cc2)CC1)C1CCN(C(=O)c2ccsc2)CC1 58014287 RWPUWXVHFAKGKD-UHFFFAOYSA-N 386.492 3.587 0 40 GHAB CO[C@@H](CC(C)C)C(=O)N(C)CCN(C)C(=O)CCCc1cc(C)ccc1C 1615612447 YNGGLAGRJILYMP-NRFANRHFSA-N 390.568 3.604 0 40 GHAB CCN(CC)CCOc1cc2c(cc1OCCN(CC)CC)[C@H](C)CC(=O)O2 1570003497 UQXUBQDJDRYCOH-QGZVFWFLSA-N 392.540 3.540 0 40 GHAB Cc1cc2nnc(SCC(=O)NCc3ccccc3)n2c2c(C)cccc12 11907683 WCBXCNRHEZAPTR-UHFFFAOYSA-N 376.485 3.908 0 40 GHAB CCOc1ccc(C(=O)N2CCC(c3nc(C)ncc3-c3cc(C)no3)CC2)o1 12118356 OXTIQIQDEVALAO-UHFFFAOYSA-N 396.447 3.760 0 40 GHAB Cc1cc(C(=O)N2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)sc1C 13226754 JYSAFUCYVXPMJF-UHFFFAOYSA-N 394.500 3.942 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O 13715197 GPVZUWOOZMBWMW-MRXNPFEDSA-N 384.860 3.662 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)cc1 14083139 SLGMMICKELLPPW-ZDUSSCGKSA-N 380.366 3.693 0 40 GHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)OCc1cccc2ccccc12 19353060 SYYBVXWYJYDZKH-UHFFFAOYSA-N 378.359 3.539 0 40 GHAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1nc2ccccc2s1)c1ccc(F)cc1 19459833 ISXUCMPZCWUOIO-SJCJKPOMSA-N 385.464 3.880 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)C[C@@H]3CC(C)(C)OC3=O)[C@H]3CCCC[C@H]32)cc1 19460971 UVODLVCEAXGFHQ-UTYXMITFSA-N 385.504 3.815 0 40 GHAB Cc1ncc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)c(C)n1 19552518 BQNLKABRNSVNHX-BDTNDASRSA-N 378.520 3.576 0 40 GHAB O=C(O)[C@@H]1CS[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)N1 6221514 JAWYWKORNJPRCR-JKSUJKDBSA-N 394.290 3.816 0 40 GHAB O=C(Nc1ccccc1F)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 1888950865 BTDPWBQDNRIYLU-UHFFFAOYSA-N 393.466 3.602 0 40 GHAB COc1cccc(F)c1CN1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037983813 HARYCZGFKGXCMZ-QHCPKHFHSA-N 398.478 3.622 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccccc2Cl)cc1 2961131 XMXURXODSLRPFJ-UHFFFAOYSA-N 394.924 3.616 0 40 GHAB O=S(=O)(Cc1ccccc1)NC[C@H](c1ccsc1)N1CCCCCC1 8901743 FEAKSYCFJCHWCW-LJQANCHMSA-N 378.563 3.785 0 40 GHAB COc1ccc(-c2nc3c(C(=O)O)cc(-c4ccc(OC)c(O)c4)nc3[nH]2)cc1 11694751 IEYPRIGXPFIRAM-UHFFFAOYSA-N 391.383 3.713 0 40 GHAB O=C(Nc1sccc1-c1nc(C2CC2)no1)c1cnn(-c2ccccc2)n1 206890499 KZXBPHZDPVJWGF-UHFFFAOYSA-N 378.417 3.509 0 40 GHAB Cc1ccc(-c2cn3c(CC(=O)Nc4ccc(C(N)=O)cc4)csc3n2)cc1 5147208 URGOILDFWDKUPC-UHFFFAOYSA-N 390.468 3.651 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 30220704 BJXGMFKCIZZKAD-UHFFFAOYSA-N 377.488 3.924 0 40 GHAB Cc1ccc(-n2ncc(C(=O)NCc3ccc(Cn4ccnc4)cc3)c2C)cc1 30216897 DVCNTMGDXCOPJK-UHFFFAOYSA-N 385.471 3.664 0 40 GHAB O=C(NCc1ccc(N2CCCC2)nc1)c1cc(F)ccc1Br 30298069 MPQKLRFYFMKKSX-UHFFFAOYSA-N 378.245 3.513 0 40 GHAB O=C(C[C@H]1C=CCC1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40107828 QEQQUIBMNXNKEG-WMLDXEAASA-N 380.410 3.841 0 40 GHAB CC(C)c1c(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cnn1Cc1ccccc1 32160973 PTMKULKAFWAPGY-UHFFFAOYSA-N 376.416 3.742 0 40 GHAB Fc1cc(F)cc(Cc2nnc3sc([C@@H]4COc5ccccc5O4)nn23)c1 20737199 ZAQGESPUJWKKSL-HNNXBMFYSA-N 386.383 3.567 0 40 GHAB O=c1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccccn12 29593585 LZGCZBJYEVOQIF-UHFFFAOYSA-N 396.494 3.606 0 40 GHAB O=C(CCN1C(=O)COc2ccccc21)NCc1ccc(-c2ccc(F)cc2)o1 29673789 JEJKVSYKURUZGL-UHFFFAOYSA-N 394.402 3.518 0 40 GHAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CCc1nc2ccccc2s1 2623840 HJDSTUMDMQNQMV-CYBMUJFWSA-N 384.457 3.808 0 40 GHAB O=C1O[C@H](C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)Cc2ccccc21 21047540 LXTSFXSJFXQDHF-IBGZPJMESA-N 379.412 3.838 0 40 GHAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1cccc(C(F)(F)F)c1 2623484 HSBIAGBONUBDKJ-UHFFFAOYSA-N 376.334 3.911 0 40 GHAB CCOc1ccc2[nH]c3nc(SCC(=O)NCC4CCCCC4)nnc3c2c1 1366305 UHRPQCMKKXGBSP-UHFFFAOYSA-N 399.520 3.693 0 40 GHAB O=C(NCc1ccccc1F)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 1379854 HLDHXFNWRLKSAD-QGZVFWFLSA-N 375.831 3.792 0 40 GHAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCCO)C(=O)Nc3ccccc3F)cc12 4231244 HMIVQSCNEZEEIZ-UHFFFAOYSA-N 397.450 3.701 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(-c2nc3ccccc3o2)cc1 21530931 FQTQXIZOMQAFMB-UHFFFAOYSA-N 396.406 3.843 0 40 GHAB CCC(=O)c1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccc(CC)cc2)cc1 6029008 HWUZGTJPUNQIKJ-OAHLLOKOSA-N 383.444 3.791 0 40 GHAB Cc1ccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1C 6205665 LVGBCVDLUYLNNX-UHFFFAOYSA-N 384.860 3.501 0 40 GHAB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Cl)cc1 6326715 LYDMGFAQSHNHFA-UHFFFAOYSA-N 394.924 3.846 0 40 GHAB Cc1cc(OCC(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)ccc1Cl 6500922 QRAPJMZJBCYYTM-UHFFFAOYSA-N 392.952 3.987 0 40 GHAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(OCC)c2)C1=O 6655059 ITXAIDUFKANNBO-MDWZMJQESA-N 399.852 3.648 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccc(NC(C)=O)c1 7605318 GOTPVDWKPFMVKN-UHFFFAOYSA-N 395.488 3.654 0 40 GHAB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)CCCC1=O 7881769 SROMWKSYELBXFV-CQSZACIVSA-N 398.846 3.508 0 40 GHAB COc1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2c2nc(C)nn12 105422061 LYWRSSAIBPNSJK-LBPRGKRZSA-N 393.472 3.714 0 40 GHAB CC(=O)c1csc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)n1 21676268 IECOUJVDUABMFZ-UHFFFAOYSA-N 385.445 3.711 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1C 12284526 XIXNYMLXDHIEDG-CTNGQTDRSA-N 393.531 3.831 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2ccc3nc(-n4cccc4)sc3c2)CC1 9052916 YOFVFCUYXIOCBS-UHFFFAOYSA-N 383.473 3.502 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)CC1 9597925 NXVIVVUATKYGPD-INIZCTEOSA-N 397.519 3.797 0 40 GHAB COc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)no1 53802042 FBECYVFPMHESEL-ZDUSSCGKSA-N 391.427 3.726 0 40 GHAB O=C(CN1CCC[C@H](C(=O)Nc2ccccc2)C1)N[C@H]1CCCc2ccccc21 104100162 LIEJHWVAFAYFQV-UGKGYDQZSA-N 391.515 3.531 0 40 GHAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCN(C)CC2)cc1 934802 BTIQMISUSDDOHP-FQEVSTJZSA-N 393.487 3.669 0 40 GHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cncn1-c1ccccc1 8340104 SGYOEHJZWSFVQE-UHFFFAOYSA-N 377.404 3.568 0 40 GHAB Cc1nn(C)cc1CNC(=O)c1ccc(COc2cccc3ccccc23)o1 28237925 SGQQLDOHZHWWOB-UHFFFAOYSA-N 375.428 3.984 0 40 GHAB CN1CCN(Cn2nc(-c3ccccc3F)n(C)c2=S)[C@H](c2ccccc2)C1 106082638 XSUHGLPSZNXDPX-IBGZPJMESA-N 397.523 3.703 0 40 GHAB COc1ccc(CN(C)C(=O)NCc2ccc(C)c(F)c2)c(OC)c1OC 24988178 BZPQTKSCZLBYGN-UHFFFAOYSA-N 376.428 3.502 0 40 GHAB C[C@@H](OC(=O)COc1ccccc1C=O)C(=O)Nc1cccc(Cl)c1Cl 3280828 TZLZKPGCPKOCPF-LLVKDONJSA-N 396.226 3.755 0 40 GHAB CN1C(=O)N(C)[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1 106570573 SYNNHNSRVKJSLG-JJRVBVJISA-N 398.406 3.536 0 40 GHAB C[C@@H](OC(=O)C1(c2ccccc2)CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 25054183 MADWDLUGDPXSKR-MRXNPFEDSA-N 395.455 3.840 0 40 GHAB Cc1nn(CN2CCN(c3ccc(F)cc3)CC2)c(=S)n1-c1ccccc1 56552635 HBTYPWDOBPISQF-UHFFFAOYSA-N 383.496 3.631 0 40 GHAB Cn1cc(NC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)cn1 56915689 JTTHKNOGRRADBC-KRWDZBQOSA-N 386.249 3.941 0 40 GHAB O=C(CNC(=O)Nc1cccc(OC(F)(F)F)c1)Nc1ccc(F)c(F)c1 44017761 MNQLLTKWCOLVID-UHFFFAOYSA-N 389.280 3.624 0 40 GHAB CC(C)C(=O)N1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 35379987 SCJKQVJNBUHTAZ-UHFFFAOYSA-N 397.544 3.577 0 40 GHAB CCOC(=O)C1CCN(Cn2nc3cc(C)c4ccccc4n3c2=S)CC1 3343232 RJHCRQIOWPTSJF-UHFFFAOYSA-N 384.505 3.560 0 40 GHAB CSc1cccc(N2C[C@@H](C(=O)NCCCOC3CCCCC3)CC2=O)c1 27141586 HNPREMYIZCDOOT-INIZCTEOSA-N 390.549 3.617 0 40 GHAB CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1nncs1 57996951 HQTQJTCFCUSYED-UHFFFAOYSA-N 388.324 3.831 0 40 GHAB COC(=O)c1cc(-c2cc(OC)ccc2OC)nc2onc(-c3ccco3)c12 8337871 AJYWGUXGGLMUBL-UHFFFAOYSA-N 380.356 3.954 0 40 GHAB Cc1cc2c(=O)[nH]c(CSCC(=O)Nc3ccc4cc[nH]c4c3)nc2s1 44893514 XIALYZPQYGIFCZ-UHFFFAOYSA-N 384.486 3.646 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 58323943 GXUYSYAMHXFBPF-QFIPXVFZSA-N 393.531 3.622 0 40 GHAB CSc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 10763761 WRRXYOJUALEDKQ-CYBMUJFWSA-N 396.559 3.509 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)c2sc(NC(=O)C3CC3)cc2C)c1 12796107 XCGDROQMKPPCQK-LBPRGKRZSA-N 388.489 3.913 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)N[C@H](C)c3ccc4ccccc4c3)nc2n1 11020102 VCFBPAQUUZAHOD-OAHLLOKOSA-N 391.500 3.864 0 40 GHAB CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 408628975 GQHURPJOPVIHSF-UHFFFAOYSA-N 389.883 3.880 0 40 GHAB Cc1sc(NC(=O)CCCNC(=O)c2ccco2)nc1-c1ccc(F)cc1 12808279 AYKFBIQMTJPDOD-UHFFFAOYSA-N 387.436 3.999 0 40 GHAB O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1 3408211 UAKUKPUFPLDLEI-UHFFFAOYSA-N 386.451 3.586 0 40 GHAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)N1CCc2ccccc2C1 3404056 UTCYURIMXXGFFO-UHFFFAOYSA-N 393.299 3.713 0 40 GHAB c1csc(-c2nnc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)o2)c1 3447162 BQVZWDLCCKNXQZ-UHFFFAOYSA-N 386.414 3.869 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 3532826 OOZNKZHPVOVBLI-KRWDZBQOSA-N 378.881 3.522 0 40 GHAB Cc1ccc(SCCNC(=O)[C@@H](C)NC(=O)OCc2ccccc2)cc1C 13011853 NITWKORBNRUSOL-QGZVFWFLSA-N 386.517 3.827 0 40 GHAB COc1ccc([C@@H](CNc2cnn(-c3ccccc3)c(=O)c2Cl)N(C)C)cc1 13096044 YLVDRKDFAAICTQ-LJQANCHMSA-N 398.894 3.609 0 40 GHAB Cc1ccc(F)cc1NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 13016344 NWUZZWMOLVEYDS-UHFFFAOYSA-N 382.482 3.623 0 40 GHAB Cc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccc(Br)cc23)cc1 4112047 NDJUAYAZRHVOLU-QGZVFWFLSA-N 389.274 3.642 0 40 GHAB COC(=O)c1cc(CNC(=O)c2ccc(-c3ccccc3F)o2)ccc1OC 18069447 NXIQQNARURSTKX-UHFFFAOYSA-N 383.375 3.811 0 40 GHAB Cc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)no1 6146665 LBWZHJRVRKEFSO-UHFFFAOYSA-N 391.836 3.690 0 40 GHAB Cc1cccc(C(=O)NCC(=O)OCc2nc3ccccc3c(C)c2Cl)c1 8538543 DORMUJNWIZQAHS-UHFFFAOYSA-N 382.847 3.978 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 22273591 XZGPUCJNEFNTEG-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB O=C(N[C@@H]1CCc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 14189057 HWZKAKANOFWDNL-YLJYHZDGSA-N 382.891 3.996 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408648170 JSDWCNWQRUCGNV-HOCLYGCPSA-N 385.847 3.816 0 40 GHAB CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 6540512 DWCDQRFSCKWEAC-HNNXBMFYSA-N 384.505 3.839 0 40 GHAB Cc1ccn2c(=O)cc(CSc3nnc(-c4ccccc4Cl)n3C)nc2c1 8772424 ORWMFKVTCJHFHF-UHFFFAOYSA-N 397.891 3.744 0 40 GHAB Cc1nnc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)n1-c1ccccc1 8709088 DKRXQRGUGLHRFH-SFHVURJKSA-N 382.464 3.827 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(F)cc1)S2 6811848 IPGCLRNORRLPGZ-QZTJIDSGSA-N 397.479 3.686 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(Cl)c1 5880681 YGIWQOANCTYONX-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB C[C@H](OC(=O)COc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cn1 5990707 UIXLBUQDZIRFPM-ZDUSSCGKSA-N 384.819 3.837 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(NCc3ccccc3)s2)C1 15912854 UARSDRRQMSOSQT-OKILXGFUSA-N 376.551 3.747 0 40 GHAB Cc1ccccc1[C@@H](CC(=O)N(C1CC1)[C@H]1CCc2ccccc21)NC(N)=O 68379332 MCZVTBLTTYLXIQ-RTWAWAEBSA-N 377.488 3.773 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)CC2=O)cc1 7737657 LBUNNVXAVNNLIL-DZGCQCFKSA-N 398.425 3.628 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2nnc(CCc3ccc(OC)cc3)s2)cc1 9196846 CIIXKVJRCJNZKW-NTUHNPAUSA-N 395.484 3.992 0 40 GHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCC[C@H](C(F)(F)F)C1 16694815 PPRQKXXGMQDGTL-LBPRGKRZSA-N 394.422 3.961 0 40 GHAB O=C(Cc1cn2ccsc2n1)N1CCC(c2nc3ccccc3s2)CC1 8216739 CZEMNUATNNSQJT-UHFFFAOYSA-N 382.514 3.954 0 40 GHAB Cc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(F)cc2)c(C)c1 9237545 RXMGXAKKIWODBA-MSOLQXFVSA-N 397.479 3.740 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1 9875512 DEYAYQQTIPDLLC-QFIPXVFZSA-N 377.488 3.872 0 40 GHAB COc1ccc(NC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)cc1OC 9575275 LFYYUSPZISUAQE-UHFFFAOYSA-N 397.427 3.704 0 40 GHAB Cc1csc(NC(=O)COC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 71886872 GPXGBIXRSLSVPA-NWDGAFQWSA-N 384.379 3.756 0 40 GHAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccnn2Cc2ccc(F)cc2)c1 97164575 BUUYNWPBXRKWHY-AWEZNQCLSA-N 395.438 3.912 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)Nc3cccnc3)n2CC(C)C)c1 72191583 WWWGNADXVRXSQP-UHFFFAOYSA-N 397.504 3.736 0 40 GHAB COC(=O)[C@@H](C)[C@H](NCCCc1nc(-c2ccccc2)no1)c1ccccc1 79025871 SQQFSAMLVNNPLK-JXFKEZNVSA-N 379.460 3.809 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(F)cc4cccnc34)C2)nc1 95453322 LQSCEMJEBNDXJG-INIZCTEOSA-N 392.434 3.568 0 40 GHAB CCC(=O)[C@H]1CCCCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 95979895 OZHCOTKITZVXDR-LJQANCHMSA-N 388.471 3.908 0 40 GHAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(Br)cc1F 408629118 ZNOZSZUABDCFSL-UHFFFAOYSA-N 397.269 3.789 0 40 GHAB CCOc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c2ccccc12 409068891 UJTPAXTYTABUOJ-PBSOMRJOSA-N 385.441 3.836 0 40 GHAB c1cnc(Oc2ccc(Cc3noc(Cc4c[nH]c5ncccc45)n3)cc2)nc1 546387166 PYVWCPXJGSVXCA-UHFFFAOYSA-N 384.399 3.710 0 40 GHAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 216256555 ACGNOQODQAPMRU-UHFFFAOYSA-N 387.288 3.637 0 40 GHAB COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cc3ccccc3o2)c1C 36390746 IDOHHHXDQMVKPI-CYBMUJFWSA-N 384.432 3.672 0 40 GHAB O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1c2c(nc3ccccc13)CCC2 32909970 PTNRPUTUJQQZHZ-UHFFFAOYSA-N 399.494 3.758 0 40 GHAB COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@](O)(C(F)(F)F)C2)cc1 32100945 AUHDMJZONJNSNC-QGZVFWFLSA-N 398.768 3.850 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@H]2CCCCN2C(=O)c2ccn(C)n2)n1 72384160 UVJYOQGDYVHJFE-GOSISDBHSA-N 377.448 3.678 0 40 GHAB CC(C)C[C@@H](NC(=O)N1CCC2(CC1)CCS(=O)(=O)CC2)c1cccs1 562349255 VWJGFHZNTXJNTO-MRXNPFEDSA-N 398.594 3.836 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1 44899718 YRZHUABUMCPIHQ-YLJYHZDGSA-N 388.533 3.725 0 40 GHAB CCN(Cc1ccccc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222852741 JSTXCWWBZGDWDF-UHFFFAOYSA-N 388.533 3.590 0 40 GHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 222842375 VAOSBYCURMFCPS-UXHICEINSA-N 378.501 3.959 0 40 GHAB CSc1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222497187 WFPNBBOLTKXPKI-UHFFFAOYSA-N 384.910 3.710 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)Cc2cccc(Br)c2)cc1 225611675 QUMPOHXYWZTCDP-CYBMUJFWSA-N 378.266 3.584 0 40 GHAB CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1)c1ccccc1 224158951 GPWZZPXSHOOLOQ-UHFFFAOYSA-N 398.459 3.927 0 40 GHAB Cc1cc(C(=O)NCCCc2ccco2)ccc1NS(=O)(=O)c1ccccc1 224000692 SXPMGXQELUCNOM-UHFFFAOYSA-N 398.484 3.751 0 40 GHAB CN(c1ccc(C(=O)NCc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 44948813 OPMBAMVLCCKLCD-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB COc1cccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)c1 224453713 LHTQLZJNIPAGPY-LJQANCHMSA-N 396.531 3.736 0 40 GHAB C[C@H]1CCCN(C(=O)C2CCN(Cn3c(=S)n(C)c4ccccc43)CC2)C1 45801748 YMWSKWFURULIRR-INIZCTEOSA-N 386.565 3.637 0 40 GHAB CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 223054561 JZAQHIJRPDRAII-FQEVSTJZSA-N 386.517 3.818 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(-n2ccnc2SC)c1 40141016 QDLPVGIKKOPEHO-UHFFFAOYSA-N 394.500 3.986 0 40 GHAB COc1ccc(-c2nc(C3CCN(C(=O)N(C)C)CC3)cc3c2ncn3C)cc1 96155608 TUCHFTRJZZOTFJ-UHFFFAOYSA-N 393.491 3.505 0 40 GHAB O=C(c1ccc(F)cc1F)N1CCCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211530 ACVVTNPXBQKKMX-UHFFFAOYSA-N 382.414 3.707 0 40 GHAB CC(C)(C)[S@](=O)Cc1cccc(NC(=O)CC2CCC(C(=O)O)CC2)c1 582303708 JUPONQDNAGTIMR-NLOLPMQXSA-N 379.522 3.953 0 40 GHAB CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)C2CCC2)CC1)c1ccccc1 257218704 DEEOMUMKLVMWJZ-UHFFFAOYSA-N 380.492 3.583 0 40 GHAB O=S(=O)(NC[C@@](O)(c1ccsc1)c1cccs1)c1cccc(Cl)c1 253394077 ABDPWQZDFYZYAQ-MRXNPFEDSA-N 399.946 3.677 0 40 GHAB O=C(c1cccc(O)n1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257288214 PTJKJFDMWXULSF-OAHLLOKOSA-N 381.407 3.525 0 40 GHAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(Cc1cncn1C)CCO2 257237632 HHJUEYLPBPCMBS-FKBYEOEOSA-N 387.499 3.564 0 40 GHAB CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2ccc(-c3ccccc3)c(C)n2)C1 626569265 RTDXHCPPXIKVPC-SESVDKBCSA-N 394.519 3.820 0 40 GHAB Cc1ccnn1-c1ccccc1NC(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 654037859 ZNQWMKIMUPXWSJ-BBRMVZONSA-N 382.386 3.802 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc([C@@H](O)c2cccs2)s1 90613629 DRCNMQGMDWYKAP-BFSLETRISA-N 399.493 3.950 0 40 GHAB Cc1cccnc1Nc1nc(C2CCN(C(=O)/C=C/c3cnc[nH]3)CC2)cs1 585291183 LIRZGBGXYQTJEP-SNAWJCMRSA-N 394.504 3.733 0 40 GHAB CS(=O)(=O)c1ccc(OCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 58006270 IEVOKPOEXSJVLZ-UHFFFAOYSA-N 378.449 3.923 0 40 GHAB Cc1nc(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c(Cl)cc1Cl 13098370 SNEYVVWRKABFBX-FOSCPWQOSA-N 399.274 3.574 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1C)N(c1ccccc1)S(C)(=O)=O 13711251 FEPXDHPZUBECPR-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB CCOC(=O)c1c(NC(=S)N2CCOCC2)sc(C)c1-c1ccccc1 13825946 DLILFZHJTJDTRV-UHFFFAOYSA-N 390.530 3.929 0 40 GHAB Cc1ccc(C(C)C)cc1OCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 14169993 NZFTYSUDPWKBNN-QGZVFWFLSA-N 378.476 3.955 0 40 GHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@H]3CCOc4ccccc43)c12 14900696 BBLAPZIAGMSBMN-INIZCTEOSA-N 388.427 3.790 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCSc2ccccc21 16339465 LLABMOFFPGBZKH-QGZVFWFLSA-N 396.512 3.734 0 40 GHAB CC(=O)Nc1cc2nc(NC(=O)c3cn4cccc(C)c4n3)sc2cc1C 19718842 MJPDBWNDCZJBNN-UHFFFAOYSA-N 379.445 3.772 0 40 GHAB C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O 8477362 JWKXIYPYDCXDCY-XMHGGMMESA-N 390.439 3.809 0 40 GHAB O=C(O)[C@H](CNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)Cc1ccc2ccccc2c1 630140747 NLIKIJYQDZLUQR-XXTHSBEZSA-N 385.463 3.785 0 40 GHAB O=C(Nc1ccccc1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888918066 MVZSPVNEGDSIHP-UHFFFAOYSA-N 391.475 3.930 0 40 GHAB Cc1ccccc1NC(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 1888947740 VNDBURYMHODAKU-UHFFFAOYSA-N 389.503 3.772 0 40 GHAB O=C(c1ccc(Cl)cc1Cl)N1CC(Cn2cc(Br)cn2)C1 1889186905 PZAHDOCYNPMWIN-UHFFFAOYSA-N 389.080 3.725 0 40 GHAB c1ccc(-n2nnnc2CN2CCC[C@H](c3nc4ccccc4s3)C2)cc1 23937014 DSYOBWFCBITEJB-HNNXBMFYSA-N 376.489 3.652 0 40 GHAB O=C(NCCCn1cccn1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 30168959 YPUWZIGBXITRFL-UHFFFAOYSA-N 397.788 3.561 0 40 GHAB CCOc1cccc2sc(N(CCN(C)C)C(=O)Cc3ccccc3)nc12 4359270 FISIMJAPVKWQMX-UHFFFAOYSA-N 383.517 3.832 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 13657155 IGPBCGFBWNCTSD-UHFFFAOYSA-N 378.863 3.759 0 40 GHAB COc1ccc(OC)c(-c2cc(C(=O)Nc3nc4c(s3)CCCC4)n(C)n2)c1 38488948 BXYCHRIHZLXHIG-UHFFFAOYSA-N 398.488 3.692 0 40 GHAB Cc1c(C(=O)NCC2(c3cccs3)CCOCC2)cnn1-c1ccccc1 49521384 OOAJFEDQIRICDM-UHFFFAOYSA-N 381.501 3.720 0 40 GHAB Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)N2 5015936 BLDWADXZEFHTOS-MRXNPFEDSA-N 393.365 3.963 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)N3CCc4sccc4[C@@H]3C)CC2=O)cc1 30548001 NXXRTDZAMVZTFX-LSDHHAIUSA-N 384.501 3.646 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1ccc(OCC(C)C)cc1)CC(O)=N2 31820782 ORRAWNTZAZVVSH-MRXNPFEDSA-N 393.447 3.835 0 40 GHAB O=C(CSc1nc2ccccc2s1)Nc1cccc(C(=O)NC2CC2)c1 8074530 QMZBOILBMOWBES-UHFFFAOYSA-N 383.498 3.919 0 40 GHAB CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(OC)cc1OC 1338098 DRIRBTLYNFBGJY-UHFFFAOYSA-N 388.445 3.535 0 40 GHAB Cc1nc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)nn1-c1ccc(F)cc1 32776662 NTBQCJCFFAODPM-LJQANCHMSA-N 396.422 3.525 0 40 GHAB O=C(NCCC1=CCCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 32731024 ONMZYSKCTZVPLU-UHFFFAOYSA-N 376.447 3.824 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2C)c(C)c1 3259146 LSZIZESVVYKZAS-UHFFFAOYSA-N 387.896 3.972 0 40 GHAB COc1ccc(-n2cnnc2S[C@H](C)C(=O)NCCC2=CCCCC2)cc1 2631493 YLFYBBPHNKEQMO-OAHLLOKOSA-N 386.521 3.763 0 40 GHAB Cc1nc2sc3c(c2c2nnc(SCC(=O)OC(C)C)n12)CC[C@H](C)C3 4848043 MOQHPFNDQDASDX-JTQLQIEISA-N 390.534 3.816 0 40 GHAB CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccccc3)C3CC3)ccc2c1=O 102602511 XQUFHLWSNMKOCF-SFHVURJKSA-N 379.485 3.586 0 40 GHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 6386283 YNCKUKLFLXERSZ-UHFFFAOYSA-N 391.880 3.581 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)cc1 6914213 SNYAQVGWFNELKV-UHFFFAOYSA-N 386.452 3.751 0 40 GHAB CCOc1cc([N+](=O)[O-])cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1O 6958563 BETCZXBIEXUCNQ-MHIFHRFWSA-N 393.465 3.788 0 40 GHAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2CC)cc1 8415347 YZVZPRIDNHXPCA-UHFFFAOYSA-N 398.459 3.548 0 40 GHAB COc1cc(CNn2cn[nH]c2=S)ccc1OCc1cccc(Cl)c1 8471960 BYNYFMDBDCFIGL-UHFFFAOYSA-N 376.869 3.925 0 40 GHAB CC(=O)N[C@@H](C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F)C1CCCC1 53464866 DDIONAHTKFCANU-BDJLRTHQSA-N 379.407 3.731 0 40 GHAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1COc2ccc(Cl)cc2C1 22639973 IRIDNLYHKCAPTR-SFHVURJKSA-N 399.874 3.871 0 40 GHAB CCCc1cc(C(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C)nn43)CC2)no1 100159397 RXTWZMHIZFUMOK-IYBDPMFKSA-N 381.480 3.682 0 40 GHAB CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 55703723 JJKYYUFSHJCILJ-UHFFFAOYSA-N 390.530 3.835 0 40 GHAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(NC(=O)NC2CC2)c1 54820714 KACCJALEZALBMU-UHFFFAOYSA-N 392.503 3.843 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Nc2ncccn2)c1 24859880 QXIYEWWCIWCQHR-UHFFFAOYSA-N 387.443 3.709 0 40 GHAB COc1ccc([C@@H](CNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)N2CCCCC2)cc1 102971532 MNUGDEHINUOVDO-KRZXBLKESA-N 387.593 3.875 0 40 GHAB CCNC(=O)NC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1Cc1ccco1 12539598 IUEWAVDRJQWXHA-CQSZACIVSA-N 398.488 3.518 0 40 GHAB Cc1ccoc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 25321308 YNVXBNFIDNDGGE-KBPBESRZSA-N 376.478 3.507 0 40 GHAB COc1ccc2cc(CN(C)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)ccc2c1 35399865 HLCFZKOCNUDAGW-MWTRTKDXSA-N 395.503 3.738 0 40 GHAB O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCCN(c2ccc(Cl)nn2)C1 47990713 WZXMOEPQCVBLIV-LBPRGKRZSA-N 391.928 3.711 0 40 GHAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 8206533 VAGJYDJVBXLFKW-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB COc1ccc(-c2cc3c(SCC(=O)Nc4nccs4)nccn3n2)cc1 16954738 IBJBPSTXBSNPTC-UHFFFAOYSA-N 397.485 3.592 0 40 GHAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1C 58014460 NGKRJGGQNSYOHG-UHFFFAOYSA-N 382.869 3.671 0 40 GHAB CC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 10092375 DYYAOFHEINWXRM-FQEVSTJZSA-N 385.895 3.865 0 40 GHAB COc1ccc(CCNC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 20457471 GOWXDVOMRATUJD-AWEZNQCLSA-N 375.490 3.552 0 40 GHAB O=C(Nc1cccnc1N1CCCC1)c1ccc(Cl)c(N2CCCC2=O)c1 48236568 LDPGHVVVUZPWLE-UHFFFAOYSA-N 384.867 3.714 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2ccc(F)cc2Cl)cc1 36396418 DGIGSKYTKTUBGJ-LBPRGKRZSA-N 383.872 3.984 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)n2)s1 10894872 KHMULNXLCWKDLD-UHFFFAOYSA-N 393.515 3.804 0 40 GHAB O=C(O)c1cccc(CN2C(=O)S/C(=C\c3ccccc3[N+](=O)[O-])C2=O)c1 2352843 UIEKPGCTBLUXNF-DHDCSXOGSA-N 384.369 3.530 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)CC(=O)Nc1cccc(F)c1 12752844 AAQXWJHBEVCIBM-LLVKDONJSA-N 399.249 3.997 0 40 GHAB CCc1sc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1C 36447067 NWJGUWBSUIGVHN-UHFFFAOYSA-N 399.560 3.632 0 40 GHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccccc1SC(F)F 12779361 YXOICPNOIZUGSE-UHFFFAOYSA-N 392.471 3.764 0 40 GHAB O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccc(O)nc1 12755579 ODTUARRAZHNZID-UHFFFAOYSA-N 390.262 3.849 0 40 GHAB COCc1nc2nc(SCc3ccccc3)nn2c(N)c1-c1cccs1 20676208 USNQAAXVPSGSBJ-UHFFFAOYSA-N 383.502 3.874 0 40 GHAB COc1ccc([C@@H]2CCCN2Cn2nnn(Cc3ccccc3)c2=S)cc1 12819922 HYXAZRHKNXWHFZ-IBGZPJMESA-N 381.505 3.661 0 40 GHAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1 3411160 KAYYBQKRCHGLLR-CYBMUJFWSA-N 393.472 3.824 0 40 GHAB CN(CCOc1ccccc1F)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 12919293 SEALNYSWCYRDAC-VOTSOKGWSA-N 391.826 3.801 0 40 GHAB Cc1ccc([C@@H](NCC(=O)N2c3ccccc3NC(=O)C2(C)C)C2CC2)cc1 12937104 XJTLVNAMTPLJPL-OAQYLSRUSA-N 377.488 3.800 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4s3)n2)cc1 3957715 JDTLLLHNZJXPOO-UHFFFAOYSA-N 380.429 3.926 0 40 GHAB aggregator COc1ccc(-c2nnc(NC(=O)C3(c4ccccc4)CCOCC3)s2)cc1 179400741 KRRIWJKOAKBXCY-UHFFFAOYSA-N 395.484 3.901 0 40 GHAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1ccccc1 13690173 CVHUITYZXIZWOG-APWZRJJASA-N 375.472 3.898 0 40 GHAB Cc1cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(C)n1C[C@@H]1CCCO1 5084400 AWTBJAOEADVNEZ-INIZCTEOSA-N 399.878 3.530 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)[C@@]3(C)CC3(Cl)Cl)c2C)no1 5031726 RKDBICSXCHHLNR-MRXNPFEDSA-N 385.247 3.700 0 40 GHAB CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CCCc2occc21 69548870 YSLDWGPDCXSKBB-PMACEKPBSA-N 380.488 3.773 0 40 GHAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(F)cc2)c1 65311033 SOALMIDGKAEISX-UHFFFAOYSA-N 380.423 3.690 0 40 GHAB Cc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c(C)c1 4460048 ISSQEVRWDDOKRU-UHFFFAOYSA-N 386.517 3.511 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c1 6419038 ZXQMMRNLNFKULS-MRXNPFEDSA-N 382.485 3.762 0 40 GHAB COC(=O)c1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1 4554105 OWUQDERAXHSTTC-QGZVFWFLSA-N 385.489 3.730 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C 14673543 WKAFFKVDHUEWJD-JTQLQIEISA-N 387.407 3.899 0 40 GHAB COc1ccc2c(C)c(CCC(=O)NCCc3ccccc3)c(=O)oc2c1C 4743552 AUKPGFIMZVOETC-UHFFFAOYSA-N 379.456 3.710 0 40 GHAB COc1ccc2c(C)c(CCC(=O)NCc3ccc(F)cc3)c(=O)oc2c1C 4743500 PYNONJLPOHODNH-UHFFFAOYSA-N 383.419 3.807 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccc(F)cc1)S2 6812141 OCQGAQPDAUMAMR-ZWKOTPCHSA-N 397.479 3.768 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(C)cc1)S2 6812093 SGEKFHNVZUHPPW-ZWKOTPCHSA-N 397.479 3.686 0 40 GHAB CCCCn1c(SCC(=O)N2CCc3ccccc32)nc2cc(C)[nH]c2c1=O 67238544 HTRABPXZWLLGHF-UHFFFAOYSA-N 396.516 3.515 0 40 GHAB O=S(=O)(NCCSCc1ccccc1)c1cccc(Br)c1 15518801 ZVOPVTANCBCYIY-UHFFFAOYSA-N 386.336 3.661 0 40 GHAB CC(=O)[C@H](C)OC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 8888417 NWDWROHUJYRGOO-HNNXBMFYSA-N 380.396 3.815 0 40 GHAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060457 JVQRLEQLBJNGSV-JTQLQIEISA-N 391.262 3.515 0 40 GHAB CN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1 60657368 PXJVAJXPYLKMIX-UHFFFAOYSA-N 394.906 3.639 0 40 GHAB NC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1cccs1)c1ccc(Cl)cc1 7986021 APMZPGCDAWISKI-GJZGRUSLSA-N 377.897 3.865 0 40 GHAB O=C1COc2cc(NC(=O)N[C@H]3CCCc4cn(C5CCCC5)nc43)ccc2N1 96002803 UBVOCJCYKVNHDK-KRWDZBQOSA-N 395.463 3.528 0 40 GHAB Cc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)n1 96993549 GPBATYYQRCZZIP-UHFFFAOYSA-N 386.499 3.965 0 40 GHAB CCN(C(C)=O)c1nc(CSc2nc(Cc3cccs3)n[nH]2)cs1 71793392 DRZFNDXNQGMETF-UHFFFAOYSA-N 379.536 3.579 0 40 GHAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(c2nccs2)CC1 9513622 VWKIXOBBWJDTMB-UHFFFAOYSA-N 391.562 3.702 0 40 GHAB O=C(NCCSCc1cccs1)Nc1ccccc1N1CCC(O)CC1 71808679 UPVHYSWPMNSWJF-UHFFFAOYSA-N 391.562 3.764 0 40 GHAB CCC(CC)(NC(=O)Nc1cnn(CC(N)=O)c1)c1ccc(Cl)c(Cl)c1 72271037 INXXLBCOMYADCQ-UHFFFAOYSA-N 398.294 3.512 0 40 GHAB C[C@H](Sc1nnnn1Cc1cccs1)c1nnc(-c2cccs2)o1 9607107 JGOBVALLOMTQEF-VIFPVBQESA-N 376.492 3.748 0 40 GHAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3ccccc3F)C[C@@H]21 306137116 QLYNBRQTCOZIBL-KNQAVFIVSA-N 394.471 3.643 0 40 GHAB CCNC(=O)c1cc(S(=O)(=O)Nc2c(Cl)cccc2Cl)ccc1C 408610821 WAKGLAPNHQXNNX-UHFFFAOYSA-N 387.288 3.852 0 40 GHAB Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)N4CCCCC4)C3)nn2)cc1C 72328364 DMJCTMJPXZTURN-HXUWFJFHSA-N 378.520 3.989 0 40 GHAB COC(=O)C[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2ccc(C)o2)n1 72309951 FIXOTRCHSLMBKH-INIZCTEOSA-N 398.484 3.545 0 40 GHAB O=C(NC1CCOCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1 95364835 MKMAFLAHRLUMIE-UHFFFAOYSA-N 380.275 3.965 0 40 GHAB Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)ccc1NS(=O)(=O)c1ccccc1 408711467 ZKFMCJFMGOKIQQ-TWOQFEAHSA-N 384.501 3.714 0 40 GHAB COc1ccc(N2C[C@@](O)(c3ccc(C)cc3)[N+]3=C2CCCCC3)c(OC)c1 27525161 FYPFSQDJAQMJNA-HSZRJFAPSA-N 381.496 3.663 0 40 GHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)cc1Cl 409317115 OENXLZNRJQWQMP-RIYZIHGNSA-N 392.820 3.617 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)NCc1cccnc1 61240220 JKMLPODNHYROPR-UHFFFAOYSA-N 395.846 3.926 0 40 GHAB C[C@@H](NC(=S)NC(=O)c1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 32127605 ASYYSKGXCCMTCR-CSNVJCEJSA-N 386.517 3.625 0 40 GHAB O=C(NCCC12C[C@@H]3CC1C[C@@H]3C2)[C@@H]1CCCC[C@H]1C(=O)OCC(F)(F)F 32581176 XOIMGDQMWJINKH-HQHFAHTISA-N 387.442 3.841 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccccc3F)ccc21 35588104 PSPACSSHQXLNRO-UHFFFAOYSA-N 376.497 3.509 0 40 GHAB COc1ccc(CN(C)C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1F 36874550 VJEWJBDPTCSSSX-FQEVSTJZSA-N 382.435 3.757 0 40 GHAB CCn1cc(C(=O)Nc2cccc(NC(C)=O)c2)c(=O)c2cc(Cl)ccc21 186629423 XCJSAVQPIFWIKJ-UHFFFAOYSA-N 383.835 3.886 0 40 GHAB COc1ccccc1-c1c2c(=O)n(C3CCCCC3)ccc2nc2ncnn12 40398141 JXYGYEIIXMTVTP-UHFFFAOYSA-N 375.432 3.620 0 40 GHAB CCC(CC)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1 224062877 GLLHQSRSZAUJNI-UHFFFAOYSA-N 390.505 3.723 0 40 GHAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccccc2)cc1N1CCCC1=O 225784177 KFRHXCZZPKLYCM-INIZCTEOSA-N 383.517 3.876 0 40 GHAB COc1ccccc1OCCNS(=O)(=O)Cc1ccc(Cl)cc1Cl 224177975 INADUYWJPJEFFE-UHFFFAOYSA-N 390.288 3.500 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 225730060 AZRGLOVDEHRBBK-HOTGVXAUSA-N 391.581 3.826 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(OC)cc3)n2)cc1 225822535 XEUXJRWIPGILLH-CQSZACIVSA-N 381.432 3.564 0 40 GHAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4cc(-c5cccc(F)c5)[nH]n4)cn1c23 223098160 UJYMNEPRWYCTQE-GFCCVEGCSA-N 388.402 3.900 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1 224631519 NGYGFDSFBKLVGH-MRXNPFEDSA-N 388.895 3.662 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 44946533 FJPWDJBHPGZOFD-KRWDZBQOSA-N 377.824 3.931 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@H](CNCCc2ccc(Br)cc2)C1 89223575 KVQRGIKKXQIIGT-OAHLLOKOSA-N 383.330 3.838 0 40 GHAB O=C(Nc1cc(-c2cccc(F)c2)[nH]n1)c1cn2c3c(cccc3c1=O)CCC2 223091621 PLPGTCQKORBFNZ-UHFFFAOYSA-N 388.402 3.729 0 40 GHAB Cc1ccc2nc(C3CN(C(=O)c4cc(-c5ccc(F)cc5)nn4C)C3)[nH]c2c1 77099566 JWLJKHOGMOIRDR-UHFFFAOYSA-N 389.434 3.651 0 40 GHAB CC1CCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 96170926 ZXROWUBONHHDIP-UHFFFAOYSA-N 386.233 3.889 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21 96241950 FLNHDTJLHNTPNN-IBGZPJMESA-N 391.515 3.658 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)C)no2)CC1 257210206 BTQNSDKQEFHXHE-CBGDNZLLSA-N 398.507 3.607 0 40 GHAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 260572539 ARMABDOYHZUBGT-NJSLBKSFSA-N 388.464 3.545 0 40 GHAB CC(C)(C)OC(=O)c1cccc(N2CCN(Cc3cc4ccccc4[nH]3)CC2)n1 599178193 CWTNCTTXEUNXCX-UHFFFAOYSA-N 392.503 3.840 0 40 GHAB Cc1cccc(CN2CC3(CCN(C(=O)c4cccc(F)c4)CC3)CC2=O)c1 585099783 WZNJOWXUYIRNSS-UHFFFAOYSA-N 380.463 3.789 0 40 GHAB COCCN1CCC[C@]12CCCN(C(=O)CCCc1c[nH]c3ccccc13)CC2 585100692 SYEVAOMKDAHUIJ-DEOSSOPVSA-N 397.563 3.984 0 40 GHAB COc1ccccc1C(=O)N(c1ccc(C(C)C)cc1)[C@H]1C=CS(=O)(=O)C1 5081605 SASJONXWQAPZRJ-SFHVURJKSA-N 385.485 3.776 0 40 GHAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1)C(N)=O 5209348 FUDJENRIZXNBAN-CYBMUJFWSA-N 384.505 3.850 0 40 GHAB Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1N1CCCCS1(=O)=O 5439647 DBWRHORJCBIKBP-INIZCTEOSA-N 384.501 3.516 0 40 GHAB CC(C)Cc1cc(C(=O)N2CCC([C@H]3CC(=O)c4ccccc4O3)CC2)no1 12154484 NIVXDMJGHALYLQ-OAQYLSRUSA-N 382.460 3.759 0 40 GHAB O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cc2c([nH]c1=O)CCCCC2 12197160 HBRNYMZCEKSDHC-UHFFFAOYSA-N 393.487 3.522 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)N1CCCCCC1 12603284 BJNJPMXKNKUEIC-PTNGSMBKSA-N 378.881 3.779 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1 13494915 BIUWQNCRXMBYDA-JTQLQIEISA-N 381.816 3.569 0 40 GHAB CCOc1ccc(C(=O)NC(=S)NCc2ccccc2)cc1Br 14770588 NAAVYAKQVZBDMI-UHFFFAOYSA-N 393.306 3.652 0 40 GHAB CN(C(=O)COc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCc2ccccc21 16961173 XSIMEEUMOOZQSH-OAQYLSRUSA-N 378.472 3.728 0 40 GHAB COc1cc(OC)c2cc(C(=O)N3CCC(N4CCC(C)CC4)CC3)[nH]c2c1 19496836 YTWPZLYEHJDGBR-UHFFFAOYSA-N 385.508 3.522 0 40 GHAB CN1CCCc2ccc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)cc21 19716068 FPKRGOUMYXPQTA-UHFFFAOYSA-N 392.908 3.525 0 40 GHAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1nc[nH]n1 19849935 VYEZWXJZUFTVOY-UHFFFAOYSA-N 377.429 3.858 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)cc1 19932800 SENSPGJBZVWRRO-BEFAXECRSA-N 392.496 3.556 0 40 GHAB CO[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1Cl 158471297 UDQDDHVSAKSIJZ-HNNXBMFYSA-N 385.222 3.575 0 40 GHAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1C 5259327 FKCVKMKOKFHBQQ-MDWZMJQESA-N 397.456 3.744 0 40 GHAB CC(C)C[C@@H](NC(=O)CCN1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1 606440374 XZNGMNAICGGZGK-HXUWFJFHSA-N 390.487 3.812 0 40 GHAB Oc1ccc(-c2n[nH]cc2CN2CCC[C@](O)(c3ccc(F)cc3)CC2)cc1 12143567 VZEVPGUJLWCYOY-JOCHJYFZSA-N 381.451 3.795 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(COc3ccncc3Cl)CC2)s1 1889191943 CROAULTZSRBGSB-UHFFFAOYSA-N 386.926 3.585 0 40 GHAB O=C(c1ccc(OCC2CCOCC2)nc1)N1CCC(Cc2ccccc2)CC1 252493113 MZMCMTMTGXRALE-UHFFFAOYSA-N 394.515 3.982 0 40 GHAB CCO[C@@H]1CC2(CCN(C(=O)CCc3cncnc3)CC2)c2cc(F)ccc21 1614930092 SAXLGKZYNQBKKR-HXUWFJFHSA-N 383.467 3.590 0 40 GHAB Cc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C(C)C)cc1 4036072 GZSBYNUJVMPMGU-HXUWFJFHSA-N 399.516 3.700 0 40 GHAB CCOc1ccc2nc(SCC(=O)Nc3cc(C(=O)O)ccc3C)[nH]c2c1 5799668 SRPBBDYRZNUGHH-UHFFFAOYSA-N 385.445 3.699 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3)cc2)cc1 7608931 GUYHQMRMGJDGEX-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB Cc1cccc(Nc2ccc(NCCNC(=O)Nc3ccc(C)c(F)c3)nn2)n1 11697108 VHTXKCQFNNDHDR-UHFFFAOYSA-N 395.442 3.605 0 40 GHAB CCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2c(C)ccc(OC)c21 13810626 OJTYKTJZWWKXNX-MRCUWXFGSA-N 384.457 3.552 0 40 GHAB O=C(COc1ccccc1F)N1CCC(Oc2nc3ccccc3s2)CC1 49028609 VQOSZPVQWDEFMO-UHFFFAOYSA-N 386.448 3.884 0 40 GHAB Cc1ccccc1NC(=O)[C@@H](C)Sc1ccccc1NC(=O)CCC(=O)O 13578918 OJPXPVKRIYMWNK-CQSZACIVSA-N 386.473 3.918 0 40 GHAB CCN(CC)C[C@@H](NC(=O)NCc1ccc(OC)c(OC)c1)c1ccccc1 30995971 ATYHVOGRAFZCAA-LJQANCHMSA-N 385.508 3.586 0 40 GHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 20311685 HZLQQCBXJIDXQG-YOCVDRLZSA-N 384.907 3.965 0 40 GHAB CN(C)C(=O)COc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 29230208 ZTVWXNQFRQKRAR-UHFFFAOYSA-N 381.259 3.642 0 40 GHAB COc1ccccc1CCN1C(=O)c2ccccc2N[C@]12C(=O)Nc1ccccc12 101645768 ASLBQHSTYMQDKW-DEOSSOPVSA-N 399.450 3.611 0 40 GHAB CCc1ccc(-n2c(SCC(=O)N[C@H](C)CC)nnc2-c2ccccn2)cc1 1362752 BJDMSNLQZWMOQY-OAHLLOKOSA-N 395.532 3.899 0 40 GHAB CCOc1cc(S(=O)(=O)N2CCCC[C@@H]2CC)ccc1Br 41096759 WQPRBXVBJYJKRZ-LBPRGKRZSA-N 376.316 3.801 0 40 GHAB CC1=C(C(=O)O[C@H]2CCC[C@H]2C)[C@@H](c2ccc(Br)cc2)NC(=O)N1 4084001 CUEQWSUTMGMXNL-FUEDEBDSSA-N 393.281 3.809 0 40 GHAB COc1ccc(-c2nnc(COC(=O)c3cccc4c3O[C@H](C)[C@H]4C)o2)cc1 32842816 IXNJMQBDYGHXKE-CHWSQXEVSA-N 380.400 3.987 0 40 GHAB Cc1nc(NC2C3CC4CC(C3)CC2C4)c2nnn(Cc3ccccc3F)c2n1 4985564 SUIKOCCNOWXEBP-UHFFFAOYSA-N 392.482 3.954 0 40 GHAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1 6629900 KIDSLYSWZXYVOT-UHFFFAOYSA-N 385.533 3.972 0 40 GHAB O=S(=O)(N[C@H]1Cc2ccccc2[C@H]1N1CCCCCCC1)c1ccccc1 6651962 WKXSTHYPYVTLJS-FCHUYYIVSA-N 384.545 3.897 0 40 GHAB Cc1cccc(OCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 6860491 CQEQKYXYIPOQHT-UHFFFAOYSA-N 386.407 3.813 0 40 GHAB Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1-c1ccccc1C(=O)O 6962343 TYGXCFVUIPCZAB-FSJBWODESA-N 379.391 3.695 0 40 GHAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O 7882126 LLPPEXVAIWLYJS-HIFRSBDPSA-N 387.277 3.997 0 40 GHAB O=Cc1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7929469 FNOBKWSQVIZVPM-GFCCVEGCSA-N 378.211 3.764 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1 2662172 CYJIRIFMTRYFQB-JLHYYAGUSA-N 376.453 3.508 0 40 GHAB COc1ccc(-c2cc(C(=O)OCC(=O)NCC(C)C)c3ccccc3n2)cc1 2627492 SQAAQPZMPUXRNG-UHFFFAOYSA-N 392.455 3.839 0 40 GHAB Cc1ccccc1OCc1nn(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(=S)o1 8571586 CERKIGRULPWGEX-DZGCQCFKSA-N 375.494 3.788 0 40 GHAB Cc1nn(Cc2nnc(Nc3ccn(Cc4ccccc4)n3)s2)cc1Cl 2731220 XWZUEEVVNBGWDX-UHFFFAOYSA-N 385.884 3.733 0 40 GHAB Cc1cc(=O)c(C(=O)N2CCCCCC2)nn1-c1ccccc1C(F)(F)F 7754205 PHQITBVSBMAHLC-UHFFFAOYSA-N 379.382 3.576 0 40 GHAB C[C@@H]1[C@@H](NC(=O)CCC(=O)NCc2cccc(Br)c2)CCC[C@H]1C 103140237 SDVLUQRCQQGHKQ-KEYYUXOJSA-N 395.341 3.786 0 40 GHAB C[C@@H](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccccc1 7779387 XMTLXOTVZPQQCX-ZDUSSCGKSA-N 380.897 3.723 0 40 GHAB CC(=O)N1CCc2cc(C(=O)N[C@@H](CC(C)C)c3nc4ccccc4[nH]3)ccc21 53305877 WFRWAFLXFJWGSB-FQEVSTJZSA-N 390.487 3.989 0 40 GHAB Cc1ccc(-n2nnnc2-c2cnc(N)nc2-c2cccc(C(F)(F)F)c2)cc1 721440 VQKUWANIDGEJHA-UHFFFAOYSA-N 397.364 3.696 0 40 GHAB Cc1ccc(Cn2cc(-n3c(S)nnc3[C@@H](C)n3cc(Cl)cn3)cn2)cc1 2809425 RHMFGLZGUWCLIS-CYBMUJFWSA-N 399.911 3.568 0 40 GHAB O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@H]1C[C@@H]2CC[C@@H]1C2 102105859 VDWNSTPJAKLJJH-NFAWXSAZSA-N 379.298 3.660 0 40 GHAB CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ncnc2sccc12 54389177 WKJCZTJJTOTSRE-LBPRGKRZSA-N 383.395 3.586 0 40 GHAB Cc1ccc(O)c(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 24229741 CMLFEZDWZWUQJC-UHFFFAOYSA-N 378.394 3.677 0 40 GHAB O=C(Cc1c(Cl)cccc1Cl)NC[C@H]1CN(Cc2ccccc2)CCO1 24498157 DLCUNDZQOUTRNE-INIZCTEOSA-N 393.314 3.553 0 40 GHAB O=C(NCCCOC1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 24481042 BFDBUGIHMFQAFP-OAHLLOKOSA-N 378.900 3.549 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)c2cccc(F)c2)CC1 12407617 OKOGNXHXZAZQSU-UHFFFAOYSA-N 393.462 3.614 0 40 GHAB CCN(CCNC(=O)c1ccccc1SCc1csc(C)n1)C1CC1 78454385 SYFDGFPSBQLLCV-UHFFFAOYSA-N 375.563 3.958 0 40 GHAB CCOc1ccc(CN2CCN(C(=O)c3sccc3-n3cccc3)CC2)cc1 24837920 IZMSLSCIDHBGGS-UHFFFAOYSA-N 395.528 3.896 0 40 GHAB COc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccco3)n2C)C(C)C)cc1 12471233 KBNPRVZBIGVBBK-INIZCTEOSA-N 386.477 3.839 0 40 GHAB CCN(c1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1)C(C)C 12521824 CAAAAALLHQCECX-UHFFFAOYSA-N 381.398 3.741 0 40 GHAB C[C@H](NC(=O)c1coc(=O)c(Br)c1)[C@@H]1[C@H]2C[C@@H]3C[C@@H]2CC[C@@H]1C3 102760007 PGLXEDMYMQAPFM-JYXMKJBCSA-N 380.282 3.593 0 40 GHAB CCCOc1ccc(/C=C/C(=O)NCc2ccc(NC(C)=O)cc2)cc1OC 25554141 VKIGMSRPVGQZSI-XYOKQWHBSA-N 382.460 3.772 0 40 GHAB C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)N(C)Cc1ccccc1 57645152 QYDKVEKVVMSZBJ-OAHLLOKOSA-N 385.895 3.926 0 40 GHAB Cc1cc(=O)oc2c(C)c(OCC(=O)c3ccc4c(c3)OCCCO4)ccc12 35686368 OKUDHFMQDAQZPJ-UHFFFAOYSA-N 380.396 3.833 0 40 GHAB C[C@H](NC(=O)c1cn(C)c2ccccc2c1=O)c1ccc(Br)cc1 22234286 ZLMVFELKPWVGEP-LBPRGKRZSA-N 385.261 3.792 0 40 GHAB COc1cc(N[C@H](C)C(=O)Nc2c(F)cccc2F)ccc1N1CCCC1=O 10185237 JNDOIUZPUMMMBK-GFCCVEGCSA-N 389.402 3.539 0 40 GHAB CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 58222989 YGFHRLARZJDXIQ-IAGOWNOFSA-N 378.900 3.959 0 40 GHAB CN(C)C(=O)[C@H]1CN(Cc2ccc(SC(F)F)cc2)c2ccccc2O1 58407023 CVPAVVSDRFEWOQ-QGZVFWFLSA-N 378.444 3.857 0 40 GHAB COc1cc(C(=O)N[C@@H](C)c2ccccn2)ccc1OCc1c(C)noc1C 10557409 KXYICTIIKFUFLI-AWEZNQCLSA-N 381.432 3.765 0 40 GHAB CCOc1ccc(NC(=O)N[C@H](CC)c2ccccc2OCC(=O)NC)c(C)c1 48144573 CDOZOLCOIVVYPE-GOSISDBHSA-N 399.491 3.791 0 40 GHAB CCCc1nc2oc3c(N[C@H](CC)CO)ncnc3c2c2c1COC(C)(C)C2 2364496 QJYCPEJGXJOUNM-GFCCVEGCSA-N 384.480 3.758 0 40 GHAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccc(N)cc2)c2ccccc21 2309644 VXDWRAGYKFOSQV-XMMPIXPASA-N 386.451 3.585 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccccc3F)n2)cc1 3330506 RUKSWNDDKFWLGP-UHFFFAOYSA-N 385.420 3.925 0 40 GHAB O=C(Nc1ccc(Br)cc1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 28580742 ZQHJCRUFDUMVCH-ZDUSSCGKSA-N 391.240 3.575 0 40 GHAB O=C1CCCC[C@H]1Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 3309331 NMGQHUJRVSGYJM-GOSISDBHSA-N 390.468 3.637 0 40 GHAB CCOc1ccc(CCC2CCN(C(=O)[C@@H](C)NC(=O)c3ccoc3)CC2)cc1 48361867 CFOHZQIXDKCHCW-QGZVFWFLSA-N 398.503 3.668 0 40 GHAB Cc1ccc(C)c(-n2ccnc2S(=O)(=O)CC(=O)Nc2c(C)cccc2C)c1 62565923 PYPBEVQOSJAIHZ-UHFFFAOYSA-N 397.500 3.518 0 40 GHAB Cc1ccc(Cl)c(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1Cl 3592879 RJBUSNMGBHZLOR-UHFFFAOYSA-N 398.290 3.885 0 40 GHAB CCOc1ccc(C2=N/C(=C/c3ccc4c(c3)OCCO4)C(=O)O2)cc1OCC 3577926 ABVDSHBGOVTSNA-LFIBNONCSA-N 395.411 3.600 0 40 GHAB CCc1ccc(-c2nc(CC(=O)NC3(C(=O)OC)CCCCC3)cs2)cc1 12922522 QGCCEONCNYMTNK-UHFFFAOYSA-N 386.517 3.907 0 40 GHAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)C12CC3CC(CC(C3)C1)C2 12900074 GJNIAFHTZGQXLZ-VKGHLNKFSA-N 384.520 3.853 0 40 GHAB Cc1csc(N(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c2ccccc2)n1 13070950 IVENGAHBUVOSKA-IAGOWNOFSA-N 397.500 3.682 0 40 GHAB CCC(C)(C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 13018720 GOUZSWYNRHIYTI-UHFFFAOYSA-N 378.469 3.853 0 40 GHAB Cc1sc(NC(=O)c2n[nH]c(=O)c3ccccc23)nc1-c1ccc(F)c(F)c1 8134291 HYMTUZYURVAKBL-UHFFFAOYSA-N 398.394 3.886 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCc4cccnc4)c(C)c3cc12 4000365 XDHPWVVPIQGXQW-UHFFFAOYSA-N 376.412 3.718 0 40 GHAB biogenic Cc1ccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1Cl 408703828 YSFNNGJHJJXSLN-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB Cc1ccccc1-c1noc(COC(=O)C[C@@H]2Sc3ccccc3NC2=O)n1 5289129 ZHPDZZPNCLFFSG-INIZCTEOSA-N 395.440 3.591 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1 6315309 BCMSOSDFCOLRFY-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCC(=O)Nc1c(F)cccc1F 14345067 KDCAHMJPWWASAW-KEYYUXOJSA-N 383.435 3.924 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCc3sccc3C2)nc1 14324506 JMYPZBLNBWPFSO-UHFFFAOYSA-N 399.541 3.921 0 40 GHAB Cc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](c3ccccc3)C2=O)cc1 6754901 PDRMMGFHSMEUPX-QFIPXVFZSA-N 385.419 3.980 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Cl)cc1)S2 6811765 UECVJNKRKKJIRA-DLBZAZTESA-N 399.907 3.892 0 40 GHAB O=C(CSc1ncccc1Cl)Nc1cc(Cl)ccc1-n1cncn1 8706040 YAWJZABQDSEHMC-UHFFFAOYSA-N 380.260 3.700 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1)c1cccs1 24577810 OKXWIQDOLXVGSL-SFHVURJKSA-N 382.460 3.545 0 40 GHAB COCc1cccc(CNC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 67062690 QFQICTRQSKDGMI-LJQANCHMSA-N 392.858 3.909 0 40 GHAB Cc1nc(N2CCN(C[C@@H]3CCCO3)CC2)c2cc(-c3ccccc3)sc2n1 15130014 LUSKLHVCQODZGW-SFHVURJKSA-N 394.544 3.968 0 40 GHAB Cc1c(NC(=O)Cc2ccc3c(c2)CCCC3)c(=O)n(-c2ccccc2)n1C 7038689 XIUHYZFPRGDEKY-UHFFFAOYSA-N 375.472 3.544 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1cc(Cl)ccc1F 8884573 YWUICRSNHAFEAB-CYBMUJFWSA-N 387.846 3.691 0 40 GHAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ncc(Cl)cc1Cl 7577509 KMGKITYADPPEOQ-ZCFIWIBFSA-N 390.321 3.934 0 40 GHAB Cc1sc(NC(=O)c2cc(C(N)=O)cs2)nc1-c1c(F)cc(F)cc1F 97001144 QNWRMGWQJUZSEW-UHFFFAOYSA-N 397.403 3.949 0 40 GHAB Cc1c(C(=O)Nc2cccc3ncccc23)nnn1-c1ccc(OC(F)F)cc1 19911407 DWKGMKMPXHKMRV-UHFFFAOYSA-N 395.369 3.978 0 40 GHAB CC(C)(C)OC(=O)NC[C@@H](Nc1cncc(-n2cccn2)n1)C1CCCCC1 72275431 SZUBSHZGWMLKFL-MRXNPFEDSA-N 386.500 3.548 0 40 GHAB C[C@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@](C)=O)cc1 95421209 ALKRDWAKXJZOFO-SJQPRBQBSA-N 384.545 3.828 0 40 GHAB CCN(Cc1nc(-c2ccccc2)no1)C(=O)/C=C/c1ccc(OC)cc1OC 28218470 RFHZKRMUNMVQSG-ACCUITESSA-N 393.443 3.816 0 40 GHAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl 32610352 WOUODCRKTKJBMK-OLZOCXBDSA-N 394.258 3.844 0 40 GHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2CN(Cc3ccccn3)C[C@@H]21 306125074 CGGADPSHNCPTJG-XLIONFOSSA-N 382.510 3.565 0 40 GHAB O=C(O)C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(F)F 521394233 HLWYGQIIVSTAGK-GFCCVEGCSA-N 375.371 3.881 0 40 GHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Br)cc2)N1 35183142 UUKPOUWUKZFGJZ-IRXDYDNUSA-N 385.261 3.707 0 40 GHAB Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1 56945381 XNHCFNXPXFDQNG-QFIPXVFZSA-N 389.499 3.881 0 40 GHAB Oc1cc(C2CCN(Cc3c(F)cccc3F)CC2)nc(-c2cccnc2)n1 72392772 WZTFICRGELJURN-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB CC(C)c1c(C(=O)N2CCC3(CC2)OCCO3)cnn1-c1ccc(Cl)cc1 37170865 IGIKFANWGPSCPT-UHFFFAOYSA-N 389.883 3.628 0 40 GHAB CCN(CC)C(=O)CN1CCC[C@H](c2cccc(-c3ccc(OC)cc3)n2)C1 72348753 RNJVUGOMMWTFGW-IBGZPJMESA-N 381.520 3.805 0 40 GHAB CCn1c(Cl)nc2cc(C(=O)NCCC(=O)Nc3ccc(F)cc3)ccc21 222550015 GPXQCKONMDFBGU-UHFFFAOYSA-N 388.830 3.607 0 40 GHAB COC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 48008676 NLXAJXWXVWHLBB-OAHLLOKOSA-N 378.432 3.761 0 40 GHAB CN(c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1)S(C)(=O)=O 222514058 MHESOLXFJJAAAS-UHFFFAOYSA-N 391.251 3.781 0 40 GHAB COc1cc2c(cc1C(=O)Nc1ccc(Br)cc1)OCCCO2 46077930 SHUVJLUJKHTIBG-UHFFFAOYSA-N 378.222 3.871 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 225476221 PEOZEAKPAGMEAJ-HNNXBMFYSA-N 390.886 3.964 0 40 GHAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 225676223 HDKPUJFWPOODDH-UHFFFAOYSA-N 389.285 3.708 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCCC2)cc(N2Cc3ccccc3C2)n1 225891114 MJPZXJPDIGDERX-UHFFFAOYSA-N 396.564 3.539 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccc2ccccc2c1 223644338 PHDDHKACSYDHFK-UHFFFAOYSA-N 391.876 3.859 0 40 GHAB COC(=O)c1c(NS(=O)(=O)c2ccc(F)c(C)c2)sc2c1CCCC2 225603295 UZDUUODXSKWUKX-UHFFFAOYSA-N 383.466 3.662 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 222654398 DGDZVWIZCVLMES-HXUWFJFHSA-N 388.458 3.839 0 40 GHAB COc1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1 222973091 PRPGPIXWNIJQFX-STZFKDTASA-N 390.439 3.684 0 40 GHAB COc1ccc(CNC(=O)C2CCN(Cc3ccccc3C)CC2)cc1OC 224527265 QEXHAGCFUCZLFG-UHFFFAOYSA-N 382.504 3.541 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)c(C)c1 225630552 WOGJVSTVODMPRO-UHFFFAOYSA-N 390.505 3.641 0 40 GHAB Cc1ccc(CN(C(=O)COc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)cc1 225533462 MKZXCLXNEULPBH-LJQANCHMSA-N 382.504 3.624 0 40 GHAB CC[C@@H]1C[C@H](NC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)CCO1 572508289 CVSJGYZYYFPWHR-HZPDHXFCSA-N 375.444 3.814 0 40 GHAB O=C(Cc1cccc2ccccc12)NCC1CCN(C(=O)c2ccoc2)CC1 77099696 CBWGEHOPMMBULJ-UHFFFAOYSA-N 376.456 3.644 0 40 GHAB CC(C)[C@H](C)NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 225203848 SWVGCKBNLJLJBR-HNNXBMFYSA-N 392.496 3.566 0 40 GHAB COc1ccc(CN2CCC(NC(=O)c3ccc4[nH]ccc4c3)CC2)cc1OC 96116670 APPDPPWNQZJEDD-UHFFFAOYSA-N 393.487 3.580 0 40 GHAB Fc1ccc(-c2cnc3n2C[C@H](CNCc2c[nH]c4ccccc24)OC3)cc1 96112939 LBBAYZHDZHWVOH-SFHVURJKSA-N 376.435 3.859 0 40 GHAB biogenic,in-vitro CN(C)C1CCN(C(=O)c2ccc3onc(-c4coc(C5CC5)n4)c3c2)CC1 96088131 VNZAEEHCLJPPJQ-UHFFFAOYSA-N 380.448 3.526 0 40 GHAB CCOC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 96627965 VZGCDGGXDGHKPU-HXUWFJFHSA-N 380.488 3.643 0 40 GHAB COCC(=O)N1CCC2(CC1)CN(Cc1ccsc1)C[C@@H]2c1ccccc1 257279791 OIEQZRRRIZTIJH-HXUWFJFHSA-N 384.545 3.603 0 40 GHAB Cc1cccc(Nc2cncc(C3CCN(C(=O)c4oc(C)nc4C)CC3)n2)n1 257341721 ZLPLDJJFZRPASQ-UHFFFAOYSA-N 392.463 3.548 0 40 GHAB COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccco1)N1CCSCC1 253406934 VHBIWFYFOKAYAW-HNNXBMFYSA-N 395.912 3.853 0 40 GHAB CC(C)N(C(=O)c1ccc(CN2CCOCC2)cc1)[C@@H]1CCCc2cccnc21 585079997 MBRIIEOHHYEBQS-JOCHJYFZSA-N 393.531 3.842 0 40 GHAB O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cc(F)c2ncccc2c1 1126544789 VGBRLSMAGWGGDU-UHFFFAOYSA-N 378.382 3.671 0 40 GHAB O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)N[C@]12CCC[C@@H]1C2 664702129 OFDPWEDNRLVGIF-YJYMSZOUSA-N 395.425 3.552 0 40 GHAB COC(=O)c1ccc(C(=O)NCc2ccc(C(=O)c3cccs3)s2)cc1 90610568 SFHAZFIGVJVOAW-UHFFFAOYSA-N 385.466 3.757 0 40 GHAB Cc1cc(C)cc(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)c1 585111234 KOEBPQFQSXUFDS-NRFANRHFSA-N 375.472 3.592 0 40 GHAB COc1ccccc1Oc1ccc(CNC(=O)N2C[C@H](C)[C@@](C)(CO)C2)cc1 664072628 RTTIEGXLWOQGIB-KSFYIVLOSA-N 384.476 3.647 0 40 GHAB COc1ccc(CN2CCOC[C@@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)cc1 585104183 KKJLFSUVAXPZEG-CYFREDJKSA-N 394.515 3.507 0 40 GHAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc(Oc2cnccn2)cc1 47187358 WAJOYHFYNONUOW-OAHLLOKOSA-N 386.411 3.723 0 40 GHAB CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 58158152 JDFSQLACKUZNMD-HKUYNNGSSA-N 386.448 3.691 0 40 GHAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C1 96120085 PBUMZMIMCCBVOD-CYBMUJFWSA-N 392.348 3.740 0 40 GHAB CCC[C@H]1CCCN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CC1 84740702 LDFKDGBOSHEUBN-LBPRGKRZSA-N 378.822 3.949 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(F)c(F)c1 5499675 MKPDGRHHOZCRFM-UHFFFAOYSA-N 397.410 3.825 0 40 GHAB Cc1scc(C(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c1C 12407016 DUOTVMHOZUZTFM-LBPRGKRZSA-N 391.447 3.760 0 40 GHAB CC(=O)c1ccc(O[C@H](C)C(=O)OCc2nc(-c3ccc(C)cc3)no2)cc1 12805081 NSIPDLHZXKQQGV-OAHLLOKOSA-N 380.400 3.758 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 12913146 CITVHCSMZPUASE-AWEZNQCLSA-N 377.444 3.558 0 40 GHAB COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2cccc3ccccc23)CC1 13708990 YSYAAXYPXPGRGI-SFHVURJKSA-N 390.483 3.965 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)on1 19119791 IFRLHTKSYLSMCR-LLVKDONJSA-N 394.353 3.866 0 40 GHAB O=c1cc([C@@H]2CCCCN2Cc2c(F)cccc2F)nc(-c2ccncc2)[nH]1 19292651 BSWQBCHLMYHUNN-IBGZPJMESA-N 382.414 3.837 0 40 GHAB O=C(Cc1cccs1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19343172 SKARTUUYBQJSST-UHFFFAOYSA-N 385.514 3.509 0 40 GHAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 19688312 ACOGJXDGJJOUFP-LJQANCHMSA-N 392.478 3.873 0 40 GHAB COc1ccc(C(=O)Nc2ccc3ncn(C)c3c2)cc1OCc1ccccn1 19714322 ZCNOUDBBBNEESN-UHFFFAOYSA-N 388.427 3.808 0 40 GHAB Cc1cc(C)c2cc(C)c3nnc(SCC(=O)NCc4ccco4)n3c2c1 877235 HQTULRXIGWTHPY-UHFFFAOYSA-N 380.473 3.809 0 40 GHAB CCCCN1C(=O)/C(=C\c2cccc(Br)c2)C(C(=O)OC)=C1C 6428030 SSHCRIYXSUPNPH-PTNGSMBKSA-N 378.266 3.922 0 40 GHAB NC(=O)CSc1nc(COc2ccccc2)nc2sc3c(c12)CCCC3 1339829 LCIJRMINXVEWDB-UHFFFAOYSA-N 385.514 3.727 0 40 GHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)o1 9905892 UHUXUQMBTISQBJ-MXLWSZSJSA-N 379.460 3.754 0 40 GHAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2 3536743 SIOIOGPJRCUPPR-UHFFFAOYSA-N 385.880 3.535 0 40 GHAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)CCCN2CCCC2=O)sc1C 12228103 UFBLEXDHJZTYMD-MRXNPFEDSA-N 391.562 3.624 0 40 GHAB Cc1cc2nc([C@H]3CCCN(Cc4ccc(OC(C)C)cc4)C3)cc(N)n2n1 12667564 FNFWEPCOBCHDLN-SFHVURJKSA-N 379.508 3.787 0 40 GHAB C[C@@H](NC(=O)NCc1c(C2CC2)cnn1C)c1ccc(Br)cc1F 661178680 IODBYMKCEPQUED-SNVBAGLBSA-N 395.276 3.760 0 40 GHAB Cc1cccc(-n2c(SCCC(N)=O)nnc2-c2c[nH]c3ccccc23)c1 15234433 ZDGNLPJQGOFTAC-UHFFFAOYSA-N 377.473 3.692 0 40 GHAB C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc(C=O)c(C=O)c1O2 3823557 WIGGVNIABVHHCS-QJAXDWLUSA-N 386.488 3.924 0 40 GHAB biogenic,in-vitro COc1ccc(C)c2sc(N(CCN(C)C)C(=O)COc3ccccc3)nc12 4359413 SMFLYVDVWHSCRM-UHFFFAOYSA-N 399.516 3.587 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)N4CCC(C)CC4)ncnc32)c(C)c1 4341733 QBMXYWFYCQYNEB-UHFFFAOYSA-N 395.532 3.783 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 4585405 JHBPJBGPUHGRTE-UHFFFAOYSA-N 399.450 3.884 0 40 GHAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1 10253421 KEZMLYYOEAVGLE-UHFFFAOYSA-N 387.486 3.640 0 40 GHAB O=C(N[C@@H]1CCN(c2nccs2)C1)c1ccc2noc(-c3ccccc3)c2c1 206814045 IPLUYUXKGJWTAP-MRXNPFEDSA-N 390.468 3.960 0 40 GHAB O=C(CSc1cc(-c2ccccc2)ncn1)Nc1ccc2c(c1)OCCO2 36709712 PQKUFUMIBMKTQA-UHFFFAOYSA-N 379.441 3.646 0 40 GHAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCS[C@H](c2ccco2)CC1 219446005 OANJVAXEBLHNKA-HNNXBMFYSA-N 375.874 3.941 0 40 GHAB CCCOc1cc(S(=O)(=O)n2cnc3ccccc32)ccc1Br 27822649 HIIDQSSHEMKTOP-UHFFFAOYSA-N 395.278 3.825 0 40 GHAB CCC(=O)Nc1cccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 40059887 WMQKGLBVJQYUQW-HXUWFJFHSA-N 377.444 3.938 0 40 GHAB Cc1cc([C@H](C)NC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)c(C)s1 40080920 UAYPFNLOWNUYCW-YWZLYKJASA-N 388.533 3.762 0 40 GHAB O=C(CSc1nc2ccccc2[nH]1)N1CCN(C/C=C/c2ccccc2)CC1 20031994 OXAVTVZNEASHQP-RMKNXTFCSA-N 392.528 3.513 0 40 GHAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)Nc1cccc(Br)c1)C(=O)C2 100098355 HCGSDWMMJYKWLJ-BZNIZROVSA-N 386.311 3.586 0 40 GHAB Cc1cccc([C@@H](CNC(=O)[C@@H](C)SCc2ccccc2)N2CCOCC2)c1 40142094 PUEQCTSQXLQKCN-DENIHFKCSA-N 398.572 3.806 0 40 GHAB COc1cccc2sc(NC(=O)c3ccc(OCc4nccn4C)cc3)nc12 40119421 KKSVRQQPCCVRPS-UHFFFAOYSA-N 394.456 3.870 0 40 GHAB COC(=O)[C@@H]1C(=O)[C@@H](Sc2ccc(Cl)cc2)C(=O)C[C@@H]1c1ccccc1 101034467 GDCAUZKTHGMTTM-AYBZRNKSSA-N 388.872 3.916 0 40 GHAB COC(=O)[C@@H](C)NC(=O)c1cc(-c2cccnc2)nc2ccc(C(C)C)cc12 32123944 RNGDEWWRBYQWRX-CQSZACIVSA-N 377.444 3.712 0 40 GHAB biogenic COc1ccc(-c2cc(C(=O)Nc3ccc4nsnc4c3)no2)cc1OC 46086922 MIPWLHRUAPLQQA-UHFFFAOYSA-N 382.401 3.616 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCc1ccccn1 21183553 XOVGAPPOJVKXSZ-UHFFFAOYSA-N 389.286 3.914 0 40 GHAB Brc1cccc(OCCSc2nnnn2-c2ccccc2)c1 3504003 SICBBXLUCQOHRN-UHFFFAOYSA-N 377.267 3.596 0 40 GHAB CCc1ccc(NC(=S)N2CCC(NC(=O)c3ccccc3OC)CC2)cc1 4857592 YGPRQQQUYBMVMJ-UHFFFAOYSA-N 397.544 3.849 0 40 GHAB CCOc1ccc(NC(=O)N2CCC(NC(=O)c3ccc(OC)cc3)CC2)cc1 4888441 MAHDUWHCVBZOAT-UHFFFAOYSA-N 397.475 3.520 0 40 GHAB CCCCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 6597017 QRBSWOZFGJZEKZ-UHFFFAOYSA-N 388.533 3.805 0 40 GHAB CCc1ccc2c(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)coc2c1 7718124 DTWBQHBECICLKZ-UHFFFAOYSA-N 389.455 3.974 0 40 GHAB CCOC(=O)c1cccc(NC(=O)c2ccc(OC)c(Br)c2)c1 8097817 JETMPZVSPTZBAS-UHFFFAOYSA-N 378.222 3.887 0 40 GHAB COc1cc(NC(=O)CCc2ccc(OC)c(OC)c2)c(OC)cc1Cl 8313523 DRFXONHRDWMHAS-UHFFFAOYSA-N 379.840 3.946 0 40 GHAB COc1cc(NC(=O)c2cc(Cl)c(Cl)n2C)ccc1N1CCCC1=O 32921122 IBLABGBWQZPEMO-UHFFFAOYSA-N 382.247 3.720 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)cc1 8924864 FJQGMEXOEXCICN-PQLSAKJCSA-N 388.489 3.742 0 40 GHAB CCNc1c(NS(=O)(=O)c2cc(C)cc(C)c2C)c(=O)oc2ccccc12 101094307 KYYWCYBMDNIIKR-UHFFFAOYSA-N 386.473 3.951 0 40 GHAB O=S(=O)(CCSc1nnc(Nc2ccc(F)cc2)s1)c1ccccc1 29902166 NCOLLQQJCPCBFH-UHFFFAOYSA-N 395.506 3.987 0 40 GHAB COc1cc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)cc(OC)c1 9436333 RMLNHXMQMALVAE-UHFFFAOYSA-N 386.379 3.653 0 40 GHAB O=C1OCC[C@H]1Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 9469064 DCZKXAFQAILJFN-MRXNPFEDSA-N 385.876 3.919 0 40 GHAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 22314080 UNIDNMDNTVKMTG-AWEZNQCLSA-N 397.504 3.989 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@H]1c1ccncc1 955239 JVVWMMVBLSCOLF-KRWDZBQOSA-N 395.850 3.846 0 40 GHAB O=C(c1cccc(OCc2cn3ccccc3n2)c1)N(C[C@H]1CCOC1)C1CC1 46937953 UZHYRTJBEOLXHR-QGZVFWFLSA-N 391.471 3.554 0 40 GHAB CCOc1ccccc1NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1 113964478 LPLSITLCNZBEAQ-UHFFFAOYSA-N 376.478 3.514 0 40 GHAB COc1cccc(CN2CCN(C(=O)Cc3c(F)cccc3Cl)[C@@H](C)C2)c1 57729041 WWXNAVUHJZTWMR-HNNXBMFYSA-N 390.886 3.763 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1F 1252508 QELBCAWJPMNYKU-SFHVURJKSA-N 385.464 3.656 0 40 GHAB O=c1[nH]c(CNc2ccc(Br)cc2)nn1C/C=C/c1ccccc1 61718225 AYFJCRQERGBCHV-QPJJXVBHSA-N 385.265 3.659 0 40 GHAB CC1CCC(NC(=O)CN2CCC(C(=O)c3cc(F)ccc3F)CC2)CC1 47797580 VELPAYQNFXOLLF-UHFFFAOYSA-N 378.463 3.554 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1F 57487506 OWLJKIBJGPUAPP-LLVKDONJSA-N 391.493 3.593 0 40 GHAB CCCOc1ccc([C@H]2N[C@H](C(=O)OC)Cc3c2[nH]c2ccccc32)cc1OC 35828017 NWWCSUHMXMMXGJ-GHTZIAJQSA-N 394.471 3.742 0 40 GHAB biogenic CC(C)(C)OC(=O)N1CCC(CN2CCO[C@H](c3ccc(F)cc3)C2)CC1 58161276 IGEQMOYOYDUGLA-IBGZPJMESA-N 378.488 3.846 0 40 GHAB Cn1ncc(Br)c1CNC(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2 102620485 YCZVCIFVIUQLIW-MZWUQJOJSA-N 380.330 3.795 0 40 GHAB CC(C)n1ncc2c(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc(-c3ccco3)nc21 11046731 RXIIHAIMMMYPKL-ZDUSSCGKSA-N 398.463 3.732 0 40 GHAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(Br)c2)NC(=S)N1 23716369 YEWLJNHMYRSSTA-AWEZNQCLSA-N 383.311 3.585 0 40 GHAB Cc1cc(CC(C)C)n(-c2nc3ccccc3c(=O)n2OCc2ccccc2)n1 2427031 XEUGSJOOZAROIL-UHFFFAOYSA-N 388.471 3.718 0 40 GHAB COc1ccc(CC(=O)NC2(c3ccc(Br)cc3)CC2)cc1F 48206632 YOAVFTCFFVZADF-UHFFFAOYSA-N 378.241 3.945 0 40 GHAB C[C@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 12769290 NRTJDDXXOSMKHB-ZDUSSCGKSA-N 381.501 3.673 0 40 GHAB Cc1ccccc1CCNC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 12770449 DWZQNMYOJYDMLV-UHFFFAOYSA-N 386.908 3.555 0 40 GHAB Cc1cc(C(=O)Cn2nnc(-c3ccccc3Cl)n2)c(C)n1Cc1ccco1 8491181 QMGAKGAUMQOTSI-UHFFFAOYSA-N 395.850 3.936 0 40 GHAB Cc1ccccc1/C=C/c1nc(SCC(=O)NCCc2ccccc2)n[nH]1 12844763 IRRKIRURGJYQEO-VAWYXSNFSA-N 378.501 3.735 0 40 GHAB O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1c[nH]c2ccccc12 12854261 KFUFTILZTOVUIN-QHCPKHFHSA-N 387.439 3.524 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1C 12878504 QVTXNNMLJQRYFH-UHFFFAOYSA-N 376.840 3.579 0 40 GHAB COc1cc(OC)c(NC(=O)CCCn2c(=O)oc3ccccc32)cc1Cl 3405990 CHTKPRPVDILYKF-UHFFFAOYSA-N 390.823 3.684 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1 12945149 DRCVSRRKGVBWFA-UHFFFAOYSA-N 392.546 3.583 0 40 GHAB CCN(CCO)c1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 17288122 ILDYBPOXCQMWKR-UHFFFAOYSA-N 388.475 3.686 0 40 GHAB CC(C)CC(=O)NC(=S)Nc1ccccc1C(=O)N(C)C1CCCCC1 8559959 JIGANNRZAQEPNL-UHFFFAOYSA-N 375.538 3.950 0 40 GHAB COc1ccc(CCc2nnc3sc(-c4cccc(F)c4)nn23)cc1OC 13690230 MTFZIXLDUYXAHI-UHFFFAOYSA-N 384.436 3.794 0 40 GHAB NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc(F)c2)cc1 4317061 AOUHEBALMWXJRC-OAQYLSRUSA-N 395.459 3.829 0 40 GHAB COc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3F)c2C)cc1Cl 4316334 TZDOFXNFJWPZSS-UHFFFAOYSA-N 378.766 3.768 0 40 GHAB Cc1ccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 14014296 OFQLCZJREGEISW-UHFFFAOYSA-N 393.534 3.553 0 40 GHAB Cn1c(SCc2cc(-c3ccco3)on2)nnc1[C@@H]1COc2ccccc2O1 14109226 KZISQAOVNFKHEH-KRWDZBQOSA-N 396.428 3.868 0 40 GHAB CCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 4547471 VTCYORZLJQFCRH-UHFFFAOYSA-N 387.892 3.657 0 40 GHAB Cc1cccc(NC(=O)c2c(NC(=O)CN3CCCC3)sc3c2CCC3)c1 4554482 RFEFQJXSMNBRNK-UHFFFAOYSA-N 383.517 3.832 0 40 GHAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccccc1 5570270 VJVLCPXNGKDMKR-CQSZACIVSA-N 375.380 3.994 0 40 GHAB CC(=O)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)c(Cl)c1 6673397 KKWQXBVTCFUWMQ-JXMROGBWSA-N 383.879 3.660 0 40 GHAB Cc1ccc(CNC(=O)CN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)o1 4827718 WMLWWVNLHBFIQH-QHCPKHFHSA-N 399.450 3.931 0 40 GHAB COCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(C)cc1 4816674 VEPDYZRKCHNILC-RTBURBONSA-N 396.878 3.954 0 40 GHAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1cc(F)ccc1F 6890547 AQSMLLOYVQOWCR-UHFFFAOYSA-N 382.366 3.797 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)cc1Cl 15009642 YLOFROSLKLMRPE-DLBZAZTESA-N 399.907 3.946 0 40 GHAB CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)C1CCN(c2nc(C)cs2)CC1 92558167 LSIWAIMDLIVHNO-UAGQMJEPSA-N 379.570 3.624 0 40 GHAB C[C@@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 15695604 XCQBZXIGIYHBOR-SNVBAGLBSA-N 386.320 3.591 0 40 GHAB CCc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)s1 24444995 HEZPNONGNWCFSS-ZETCQYMHSA-N 390.690 3.922 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2csc(C)n2)cn1C 16205258 GMIMRYZPHUWMCK-UHFFFAOYSA-N 384.461 3.676 0 40 GHAB NC(=O)c1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 8277877 UDRYAAQGVRVLID-OAQYLSRUSA-N 394.858 3.724 0 40 GHAB Cc1c([C@H](C)NC(=O)CN2CCc3sccc3C2)cnn1-c1ccc(F)cc1 70018969 QGURIICJIOUXLA-AWEZNQCLSA-N 398.507 3.617 0 40 GHAB Cc1cccc(O[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1C 20493024 RWHSJUSNKZUSGT-NBILRRPASA-N 378.516 3.928 0 40 GHAB CSc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 8377176 INFUBWOSBJOWEK-UHFFFAOYSA-N 384.910 3.565 0 40 GHAB O=C1[C@@H](NCc2ccc(-n3cccn3)cc2)CCCN1c1ccccc1Cl 97009635 DYIGSKYEHSITAR-IBGZPJMESA-N 380.879 3.811 0 40 GHAB Cc1cc(=O)c(O)c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 79477408 PTGVIVFRZALKJH-UHFFFAOYSA-N 390.483 3.561 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2ccccc2Cl)CC1 26919775 JNMDGRILXYOEHS-KRWDZBQOSA-N 395.330 3.864 0 40 GHAB COc1ccccc1CN1C[C@@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@@H]2C1 306140750 VDDYUMUYIOPAIU-DENIHFKCSA-N 395.480 3.711 0 40 GHAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 409381500 MRKOANVXCHBFST-UKTHLTGXSA-N 385.416 3.541 0 40 GHAB COc1ccc(C(=O)NC2(c3nc(-c4cccnc4)no3)CCCCC2)cc1F 65257796 VFAXIIKEGJGPKR-UHFFFAOYSA-N 396.422 3.869 0 40 GHAB O=C1C[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)N2NC=NC2=N1 409378718 QRRZUXGOCRFEJG-OAHLLOKOSA-N 389.242 3.748 0 40 GHAB Cc1ccc2c(c1)cc(CN(CCc1ccccc1)C(=O)C1CC1)c1nnnn12 35312121 RSFMMTBOOGKPCZ-UHFFFAOYSA-N 385.471 3.567 0 40 GHAB Cc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)c1 32125138 SJFLBTZDRQTUMV-UHFFFAOYSA-N 387.530 3.551 0 40 GHAB CCn1cc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)cn1 32604077 MEGKLACXSDSOGC-UHFFFAOYSA-N 377.857 3.646 0 40 GHAB CN(C)C(=O)CN1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357962 NEPJQTCXBJADBS-LJQANCHMSA-N 391.437 3.916 0 40 GHAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 30755901 RTIZUEPJUMYLHG-UHFFFAOYSA-N 394.880 3.585 0 40 GHAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 72362807 CBRMXOICFDDCKM-KRWDZBQOSA-N 391.475 3.558 0 40 GHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(OC)c(OC)c1 219327206 FINPEVCRAVSLBQ-SFHVURJKSA-N 375.440 3.749 0 40 GHAB CCn1cc(CN2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 72371659 BPAWNPZKOPEHRN-KRWDZBQOSA-N 399.926 3.891 0 40 GHAB CC[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(S(C)(=O)=O)cc1 218941759 VKZFVZMXQICMAM-GOSISDBHSA-N 395.908 3.698 0 40 GHAB COc1ccc(CCCNC(=O)c2ccc(Cn3ccnc3C)cc2)cc1OC 44851801 XRTGQJUMQPRXFS-UHFFFAOYSA-N 393.487 3.620 0 40 GHAB NC(=O)c1ccc2[nH]c(-c3cc(I)ccc3Cl)nc2c1 226236354 ZEZVJBFJGFVLTD-UHFFFAOYSA-N 397.603 3.587 0 40 GHAB C[C@H]1CCCN(CCNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C1 48326581 WOVXVMNGIQGSTE-KRWDZBQOSA-N 378.476 3.594 0 40 GHAB O=C(NCCOc1ccccc1Cl)C1CCN(Cc2ccccc2F)CC1 224550863 IWBOZGQMFJXIGT-UHFFFAOYSA-N 390.886 3.886 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3ccc(F)cc3)ccc21 225729065 WBTHCKCZLXQZPY-LBPRGKRZSA-N 394.493 3.652 0 40 GHAB COc1ccc(C(=O)N2CCOCC2)cc1COc1ccc(Cl)c(C)c1 224208896 JQXTXSPXCUDYIT-UHFFFAOYSA-N 375.852 3.708 0 40 GHAB O=S(=O)(Cc1cccc(Br)c1)Nc1ccc(N2CCCC2)cc1 224935849 MAGGAEWDDVXVPA-UHFFFAOYSA-N 395.322 3.991 0 40 GHAB CCN1CCN(Cc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)CC1 40107958 DNMRKUIFYGJGPK-UHFFFAOYSA-N 375.875 3.869 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 220300064 ZROTWQPMMGZGQA-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 222431793 LPZJYBZGZVBWJD-SFHVURJKSA-N 384.545 3.782 0 40 GHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCC(C)C)c1ccccc1 223544668 XNXJKSDLRZQHHP-QFIPXVFZSA-N 382.504 3.947 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223678543 AEASMRFESKGSEI-OAHLLOKOSA-N 388.961 3.747 0 40 GHAB Cc1c(C(=O)N[C@H](CO)c2cccc(C(F)(F)F)c2)nc(O)c2ccccc12 1587355373 DQUBOFMVSFAIDK-MRXNPFEDSA-N 390.361 3.731 0 40 GHAB Clc1ccc(CN2CC[C@]3(COCc4cnc(NCC5CC5)nc43)C2)cc1 96244102 CUTXCCRLRSDARH-OAQYLSRUSA-N 384.911 3.626 0 40 GHAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCc1cccs1)[C@@]1(C2)NC(=O)c2ccccc2O1 253596594 TUBSUMCPLNXBMM-BFCZSIMMSA-N 396.512 3.709 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)O)c(CN2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)c1 257278864 ODYPPPRJXZMKPW-JUXOCIIHSA-N 375.509 3.573 0 40 GHAB Cc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3N2)o1 253595496 FFZJWVNDKSSNQB-OIBKDOCCSA-N 393.487 3.582 0 40 GHAB C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)CN1CCCCC1 257335968 YMPRAJPLOINJQK-JOCHJYFZSA-N 385.483 3.728 0 40 GHAB O=C(c1cc(-c2cccnc2)on1)N1CCCN(c2ccccc2Cl)CC1 673500838 OBDVBRLLKWQNIW-UHFFFAOYSA-N 382.851 3.743 0 40 GHAB Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)O)O1 630168565 JNZUVGZTDWCWQA-YOENINGUSA-N 388.489 3.516 0 40 GHAB O=C(NC1CC1)[C@H](NCc1ccccc1OC(F)(F)F)c1ccc(F)cc1 57460506 CCUFCYZFGOZLBW-QGZVFWFLSA-N 382.357 3.834 0 40 GHAB Oc1cc(C2CCN(Cc3cc(F)ccc3F)CC2)nc(-c2ccncc2)n1 72392717 NBUCCSLOVWEBMY-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB Cc1ccc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c(C)c1 1615131357 UEXJZFAYTWBTJV-HSZRJFAPSA-N 382.479 3.841 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](C)n2nnc3sc4c(c3c2=O)CCCC4)c1 5183385 VQQNCTOGNIPIPC-ZDUSSCGKSA-N 382.489 3.548 0 40 GHAB CCOc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OCC(N)=O 16688902 SVBRAIKKEFVHLZ-QGZVFWFLSA-N 390.439 3.577 0 40 GHAB O=C(Cn1nc(-c2ccccc2)n(-n2cccc2)c1=S)Nc1ccccc1F 16807017 IPZJDSAVJOJICX-UHFFFAOYSA-N 393.447 3.972 0 40 GHAB CCn1nc(C)c(NC(=O)CN2CCC[C@@H](COc3cccc(C)c3)C2)c1C 19523855 BHONTIMCZSMDGR-LJQANCHMSA-N 384.524 3.558 0 40 GHAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cccc(Cn4cncn4)c3)c2C1 19715638 ZQGOVHITXMPEHY-OAHLLOKOSA-N 379.464 3.718 0 40 GHAB CCN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)c1ccccc1F)c1ccccc1O2 12086484 KRQDLQKVUZKODH-AUSIDOKSSA-N 396.462 3.851 0 40 GHAB COc1cccc(CN2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)c1 1889041400 XZOSPKNXNYZLIG-UHFFFAOYSA-N 395.478 3.765 0 40 GHAB O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@H](Oc2cccc3cccnc23)C1 240122711 WHUQGMKBVCRYHV-HNNXBMFYSA-N 387.361 3.942 0 40 GHAB CC[C@H]1C(=O)N=C(SCC(=O)Nc2ccc(C)cc2)N(c2ccccc2)C1=O 1089450 LLSZEZFIRXITRT-KRWDZBQOSA-N 395.484 3.622 0 40 GHAB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F 5250630 JPFZWBIJMKLVLE-UHFFFAOYSA-N 398.406 3.888 0 40 GHAB CCCn1cc(C(=O)Nc2ccc(F)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 10062653 KIUPFTLGGDIJLI-UHFFFAOYSA-N 390.418 3.940 0 40 GHAB FC(F)(F)c1cccnc1OC[C@H]1CCCN(c2ncnc3cnccc23)C1 1775971912 XYRHXVFIYRYNMG-ZDUSSCGKSA-N 389.381 3.734 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)N1CCC(c2nnc(-c3ccco3)o2)CC1 38519018 CMTCXDVSHDCHDW-GXDHUFHOSA-N 385.445 3.510 0 40 GHAB Cc1c(NC(=S)NC(=O)COc2ccc(C(C)C)cc2)cccc1C(=O)O 6571296 GHHVNWGVSQDOLQ-UHFFFAOYSA-N 386.473 3.709 0 40 GHAB CC(C)CN1C[C@@H](C(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1=O 30165590 FYCZTNCBAOUCFO-LAUBAEHRSA-N 382.529 3.727 0 40 GHAB C[C@H](NC(=O)c1cn(C)nc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 40146634 MHDQGPITCNLDMJ-QMMMGPOBSA-N 381.276 3.829 0 40 GHAB Cc1cccc(OC[C@H](O)Cn2c(=N)n(Cc3ccccc3)c3ccccc32)c1 20266371 IGVSAJYPJYGRQM-HXUWFJFHSA-N 387.483 3.719 0 40 GHAB COc1ccc(CN([C@@H](C)C2CC2)S(=O)(=O)c2ccc(F)cc2F)cc1 31656807 OCRTZEIBQFWFRX-ZDUSSCGKSA-N 381.444 3.963 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)c2nc(-c3ccccc3)oc2C)c(C)c1 17960667 XENVFUQATBIBNP-UHFFFAOYSA-N 377.444 3.944 0 40 GHAB CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 1377556 KMUMPSUHJSWJDW-UHFFFAOYSA-N 394.471 3.793 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 1962021 PQCPFGLLZYOCGZ-UHFFFAOYSA-N 396.226 3.966 0 40 GHAB O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccccc1 4601040 KGKUZIZVOJAUFJ-XMMPIXPASA-N 384.435 3.559 0 40 GHAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1nccs1)OCCO3 4849597 HLOZAMRCQHURHI-UHFFFAOYSA-N 387.486 3.756 0 40 GHAB CC(=O)Nc1cccc(OC(=O)c2ccc(Cn3nnc4ccccc43)cc2)c1 6296126 WVPOZFCSYXJGBE-UHFFFAOYSA-N 386.411 3.657 0 40 GHAB O=C(COC(=O)CCC(=O)c1ccccc1)Nc1ccccc1C(F)(F)F 7396203 LEEZPWYEQNRKEO-UHFFFAOYSA-N 379.334 3.850 0 40 GHAB CCn1nccc1CN(Cc1ccccc1)C(=O)c1cc2ccccc2oc1=O 2786544 PXBXLEXKIBVGNS-UHFFFAOYSA-N 387.439 3.852 0 40 GHAB O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)N1CCC[C@H]1c1ccc[nH]1 32912088 DRCZUVXTAQLTSR-HNNXBMFYSA-N 387.896 3.579 0 40 GHAB Cc1oc(-c2cccs2)nc1CC(=O)N(C)C[C@@H]1COc2ccccc2O1 32900177 SEHCWGNJNIKJNG-CQSZACIVSA-N 384.457 3.552 0 40 GHAB CN1C(=O)[C@]2(OCc3ccccc3N2C(=O)c2ccccc2F)c2ccccc21 10157768 BLYMZJCIJJJLDL-HSZRJFAPSA-N 388.398 3.832 0 40 GHAB CC(C)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 2780866 UBPOLZBGPFAVSY-UHFFFAOYSA-N 383.926 3.836 0 40 GHAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)NC(C)C 8475881 GDGZCQWKARBAOL-UHFFFAOYSA-N 396.896 3.596 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810108 ODGYOAICTKPTPC-UHFFFAOYSA-N 384.860 3.762 0 40 GHAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1nc(-c2cccc3[nH]ccc23)no1 12390787 POLLKJVZPCQOKJ-UHFFFAOYSA-N 389.390 3.811 0 40 GHAB COC(=O)c1cccc(CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c1 9585608 BOXKBVPRIHKORN-HSZRJFAPSA-N 388.423 3.594 0 40 GHAB Cc1ccc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)o1 829637 NHOWDBPVQXMZDD-JYRVWZFOSA-N 379.153 3.537 0 40 GHAB C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2ccsc2)CC1 23264665 KRDZOHBFAMSEPB-AWEZNQCLSA-N 397.466 3.912 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 100750069 RPTBUMQSMWNENC-IXFSTUDKSA-N 397.494 3.563 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)Nc2cnc3c(c2)c(C)nn3C)no1 24033066 JLSGFCJDWBKSEA-UHFFFAOYSA-N 394.460 3.513 0 40 GHAB O=C([C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1)N1CCCCC1 12557433 ZYPXHESJPBCYOX-QFIPXVFZSA-N 377.488 3.979 0 40 GHAB Cc1cc(N(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)n2ncnc2n1 12528407 PUFFDGXHORXDBJ-MRXNPFEDSA-N 383.459 3.969 0 40 GHAB COc1ccc(-n2cnn(CN3CCN(c4cccc(C)c4)CC3)c2=S)cc1 12564551 VENVCBFXHRRPMM-UHFFFAOYSA-N 395.532 3.500 0 40 GHAB O=C1CCCc2[nH]c(=O)c(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cc21 25623930 FXTVHDMUOGFBRZ-NRFANRHFSA-N 386.451 3.608 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1C 25975417 YMJRWMAXYZGRNR-OAHLLOKOSA-N 385.489 3.506 0 40 GHAB CCN1CCC(CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)CC1 57001551 XTYMDAITUXUMOP-UHFFFAOYSA-N 379.863 3.904 0 40 GHAB O=C(Nc1cc2c(cc1Cl)OCCO2)C1(c2ccc(F)cc2)CCOCC1 57253603 BKPSSDBHHDVYFF-UHFFFAOYSA-N 391.826 3.937 0 40 GHAB O=C(Nc1ccc(OC[C@@H](O)COCc2ccccc2F)cc1)c1ccco1 27213322 FLCKZMVNOGSYKC-KRWDZBQOSA-N 385.391 3.628 0 40 GHAB CC(=O)c1cccc(OC[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)c1 12629907 ZUIYGHRYTQEMSF-AWEZNQCLSA-N 378.350 3.698 0 40 GHAB CCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 27662057 LBUJPNDKAHVLLR-LJQANCHMSA-N 388.895 3.542 0 40 GHAB COCC(=O)Nc1cccc(NC(=O)c2ccccc2-c2nc(C(C)C)no2)c1 58277989 JTVGEJMCMJITMU-UHFFFAOYSA-N 394.431 3.697 0 40 GHAB O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1ccc(Cl)cc1Cl 3317644 WDIZKHKDEWTRRJ-UHFFFAOYSA-N 392.194 3.895 0 40 GHAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1cc(Cl)c2c(c1)OCCCO2 58424451 XUFLGGHRZGAJAD-CZUORRHYSA-N 386.879 3.869 0 40 GHAB CC[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(C)cc1 12796345 NSDJYIPPKKRNPF-IBGZPJMESA-N 386.517 3.588 0 40 GHAB CC(C)N(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccccc1 10931011 ATSUCUNLQIFVLG-UHFFFAOYSA-N 383.883 3.770 0 40 GHAB Cc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1C 12779674 KDKNRMCMXTZIND-UHFFFAOYSA-N 381.501 3.982 0 40 GHAB CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3cccc(F)c3)N2C1=O 2463463 ISCKENMNYZYBPH-ZBFHGGJFSA-N 376.453 3.816 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 12809507 LHOVSYZVOQYPAP-HNNXBMFYSA-N 388.899 3.558 0 40 GHAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1ccc2c(c1)CCC2 12880241 KEYDZBQLUXXAOY-LJQANCHMSA-N 398.528 3.674 0 40 GHAB Cc1nc2cc(C(=O)OCC(=O)NCc3ccccc3)ccc2n1-c1ccccc1 3475198 XCAGMDJUIFOVNZ-UHFFFAOYSA-N 399.450 3.807 0 40 GHAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(Br)cc1 48957021 AKYLLSCYTLQMKD-QGZVFWFLSA-N 387.277 3.543 0 40 GHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2Br)c1C 5132631 LZBBLFFSQKOQNA-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB CCOC(=O)c1sc2ncn(Cc3coc(-c4ccccc4)n3)c(=O)c2c1C 14198851 VTCKWIMSXMAKLE-UHFFFAOYSA-N 395.440 3.646 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 14166063 BHJFJGGPSWBIBT-INIZCTEOSA-N 394.496 3.843 0 40 GHAB CCCS(=O)(=O)CC(=O)N1CC[C@H](C)Sc2ccc(C(F)(F)F)cc21 65796291 ALEBYEUYUOTRIZ-NSHDSACASA-N 395.468 3.748 0 40 GHAB O=S(=O)(NCc1ccccc1OC(F)F)c1ccc(Br)s1 14208453 HWILCGHRYDOLLF-UHFFFAOYSA-N 398.250 3.591 0 40 GHAB CCc1ccc(Nc2nnc(SCC(=O)NC(=O)N[C@@H](C)CC)s2)cc1 6559255 XLTCJTHAIUWYQZ-NSHDSACASA-N 393.538 3.561 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccco1 8708989 LUHKWMNOILJIQF-OAHLLOKOSA-N 384.505 3.517 0 40 GHAB COc1ccc([C@@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)N(C)C)cc1 8778325 TVJWHHIQCOQSBD-GOSISDBHSA-N 380.410 3.676 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccncc2)cc1 8707809 YKRKAGGXQYBZKS-DHZHZOJOSA-N 387.439 3.672 0 40 GHAB CC(C)CC(=O)NC(=S)N(C)c1ccccc1C(=O)NC1CCCCC1 6858882 RYDKSETXKVVTSG-UHFFFAOYSA-N 375.538 3.633 0 40 GHAB COc1cc(OC)c(C(=O)OCc2ccccc2Br)cc1OC 5835293 JMQQWFANMGFNFH-UHFFFAOYSA-N 381.222 3.832 0 40 GHAB CN(CCOc1ccccc1Cl)C(=O)C[C@@H]1Sc2ccccc2NC1=O 16175748 GUOOKJXJHWWEIB-KRWDZBQOSA-N 390.892 3.680 0 40 GHAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NCCc1cccs1 7816386 FMTWBSFGEGNTMI-UHFFFAOYSA-N 383.444 3.856 0 40 GHAB COc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4ccc(F)cc4)nnc23)cc1 9225438 XRPXTUIRVFDEBU-UHFFFAOYSA-N 391.406 3.808 0 40 GHAB CC(C)OC(=O)c1cccc(OC(=O)COc2ccc(Br)cc2)c1 9868520 ITHGOPMMIDLMBZ-UHFFFAOYSA-N 393.233 3.999 0 40 GHAB COC(=O)[C@H]1CC(=O)[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118927146 LBPKNGBNCCAHKH-RXLYENIOSA-N 390.520 3.929 0 40 GHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(OC)c(Cl)c4)C3)n2)cc1 9318485 XHKDDJYXNUVFSO-ZDUSSCGKSA-N 399.834 3.928 0 40 GHAB Cc1nc(NC(=O)COc2nc3ccccc3s2)nc2c1C(=O)CC(C)(C)C2 9577348 OLDZGONJCLCZDU-UHFFFAOYSA-N 396.472 3.567 0 40 GHAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)c1ccc2c(c1)CCCC2 9548609 QWRFZHOSIZSLFT-INIZCTEOSA-N 389.546 3.983 0 40 GHAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cc(Cl)c2c(c1)OCCCO2 9762470 ZWYBHJYSCWUOBY-UHFFFAOYSA-N 386.835 3.646 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)NCc2nccn2CCc2ccccc2)c1 79048436 PKAIUZVSKJDCIZ-UHFFFAOYSA-N 392.459 3.543 0 40 GHAB COC(=O)Cn1ncc2c(N3CCCC[C@@H]3c3ccc(C(C)C)cc3)ncnc21 95449531 XPDNBHJPWILDSN-LJQANCHMSA-N 393.491 3.854 0 40 GHAB CCCC[C@H](NC(=O)NCC)C(=O)N[C@@H](C)c1cccc(Br)c1 89950216 FCTMSWHQRWYHNT-WFASDCNBSA-N 384.318 3.504 0 40 GHAB CCn1nc(C)c2c(C(=O)Nc3ccn(Cc4ccc(F)cc4)n3)cc(C)nc21 28245813 HBRFESFVJDFFHI-UHFFFAOYSA-N 392.438 3.704 0 40 GHAB Cc1ccc2cccc(OCC(=O)Nc3cccc(N4CCCC4=O)c3)c2n1 26777686 ZHVIWDAFKVWFDA-UHFFFAOYSA-N 375.428 3.688 0 40 GHAB COc1ccccc1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 170363862 YCJFAWLQNPAWSZ-UHFFFAOYSA-N 386.757 3.622 0 40 GHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2CN(Cc3ccccn3)C[C@H]21 306125075 CGGADPSHNCPTJG-YLJYHZDGSA-N 382.510 3.565 0 40 GHAB COc1cc(OC)c(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1Cl 409086053 PYGACTWVJWCJHC-ZROIWOOFSA-N 380.897 3.748 0 40 GHAB COc1ccc(CCNc2nc(Nc3ccc(F)cc3)c3nccnc3n2)cc1 35681974 AMFXPMWRADLMHD-UHFFFAOYSA-N 390.422 3.966 0 40 GHAB CN1CCC[C@@H](c2cccc(CC3(C(=O)Nc4nccs4)CCOCC3)c2)C1 72372240 WFIBNKCJALTPHC-LJQANCHMSA-N 399.560 3.930 0 40 GHAB COc1ccc(/C=C/C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1OC 70640022 UFNJDGJHSIOKNV-IGKXFLDPSA-N 395.377 3.586 0 40 GHAB biogenic COc1ccc(NC(=O)COc2c(C)cc(C)cc2Br)c(N)c1 70462922 NMIJZOFMCGBVRW-UHFFFAOYSA-N 379.254 3.674 0 40 GHAB Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)c4scnc4C)C3)n2)nc1 72377999 MJEYLLGEVXGUFH-HNNXBMFYSA-N 394.504 3.708 0 40 GHAB O=C(NCCCn1ccnc1)c1cc2occc2n1Cc1ccc(Cl)cc1 36365210 VMRNIXUNHGLITF-UHFFFAOYSA-N 382.851 3.953 0 40 GHAB CCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2F)(C(=O)N(C)C)C1 72391073 YPENBMNTALRKJH-QHCPKHFHSA-N 382.479 3.752 0 40 GHAB CN(CCCC(=O)NCc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 222803226 USKJOJYQZVWTJT-UHFFFAOYSA-N 396.512 3.557 0 40 GHAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2o1 135639912 BBXIDRKIWUWSMC-UHFFFAOYSA-N 393.635 3.882 0 40 GHAB CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 220305960 QMFSFKYCPZMKND-AWEZNQCLSA-N 392.496 3.744 0 40 GHAB COc1cc2c(cc1OC)CCN(Cc1cccc(C(=O)O)c1Cl)CC2 570457028 VZEHNUACBZNKOT-UHFFFAOYSA-N 375.852 3.656 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1 225102596 UNYZGVJIYQYYEX-NRFANRHFSA-N 382.504 3.707 0 40 GHAB Cc1ccc(Cn2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1 40390900 MBTBAQBIUYLHSL-UHFFFAOYSA-N 381.439 3.771 0 40 GHAB O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1c(F)cccc1F 43990000 ZQKIRRDRPRRXGE-UHFFFAOYSA-N 398.409 3.993 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 223578766 GKQMDAWLRLMGTC-IBGZPJMESA-N 382.504 3.544 0 40 GHAB CCCC[Sn]1(CCCC)OC[C@@H](CN2CCCCC2)O1 195998288 HVGIUPJHENJJGG-VFIYQRISSA-N 390.156 3.930 0 40 GHAB Cc1cccnc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N[C@@H]2Cc1ccccc1 257336325 YNXXRBSZLKLIJB-FPFQSLQCSA-N 375.516 3.746 0 40 GHAB CCN(CC)C(=O)CN1CCC(c2cccc(Nc3ncccc3C)n2)CC1 257286537 PLYYSXPUULBHAS-UHFFFAOYSA-N 381.524 3.576 0 40 GHAB Cc1cc(O)c(-c2c(-c3ccc4c(c3)CCO4)oc3cc(C)oc(=O)c23)c(=O)o1 604404074 BNYMDOAXIKVXIM-UHFFFAOYSA-N 392.363 3.931 0 40 GHAB biogenic C[C@H](NC(=O)N1C[C@@H](C(=O)O)[C@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl 263243700 OCYNRQDVSVZNNV-FXBDTBDDSA-N 399.196 3.959 0 40 GHAB C[C@@]1(CNC(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)CC1(F)F 666058524 WFNMZOQZGHRKKE-SFHVURJKSA-N 394.443 3.827 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2ccccc2)c2ccccc2)cc1 68605171 ISISGLWHAAGRRN-NRFANRHFSA-N 395.480 3.758 0 40 GHAB biogenic COc1ccc2nc(N3CCC([C@@H]4CCCCCN4C(C)=O)CC3)c(C)nc2c1 645036110 FJEJXCMIJKRRGG-QFIPXVFZSA-N 396.535 3.954 0 40 GHAB CC(C)CS(=O)(=O)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 96374507 FEYZRPYKSPREHM-UHFFFAOYSA-N 399.556 3.880 0 40 GHAB Cc1ccncc1CC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 585107750 GPDUZSFLIZRTAV-OAQYLSRUSA-N 387.474 3.943 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@H](C)CC(=O)c2ccco2)c2ccccc12 95443879 XQLCYJPLDMRWFZ-CQSZACIVSA-N 387.457 3.771 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(Br)o1 6066241 FPNMRCDCKBEDQR-ZZMUIRLSSA-N 384.270 3.682 0 40 GHAB Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1Cl 5047455 WTXXXMGFRQYIJM-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB CCCN1C(=S)N[C@@H](c2cccc(F)c2)C(C(=O)Nc2cc(C)on2)=C1C 11202734 AQWICKPTHIDJKC-KRWDZBQOSA-N 388.468 3.676 0 40 GHAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)n(C)n1 12088031 GEDYBPNBWQZEIX-MRXNPFEDSA-N 377.492 3.694 0 40 GHAB O[C@H]1CC2(CCN(C[C@H](O)c3ccc4c(c3)CCC4)CC2)Oc2ccccc21 12330147 PLUDDOXJYPWKRH-VXKWHMMOSA-N 379.500 3.559 0 40 GHAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2cccs2)C4)cc1 13634371 BJFFNSRSSNOCRS-ZDUSSCGKSA-N 376.441 3.774 0 40 GHAB CCc1nn(CC(=O)Nc2cc(Cl)ccc2C)c(=S)n1-n1cccc1 16777754 OVBUTQWWMRPTKC-UHFFFAOYSA-N 375.885 3.690 0 40 GHAB COc1cc(C(=O)NCCSCc2ccc(C)cc2)cc(OC)c1OC 18202104 XODMKHBLYLXIEQ-UHFFFAOYSA-N 375.490 3.684 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccsc3)cc(=O)[nH]2)C1 19333252 JCJPHULWGMVXIG-HNNXBMFYSA-N 397.475 3.586 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)Cc1cccs1 19570936 KXXLXKVVTANSBQ-GOSISDBHSA-N 381.501 3.738 0 40 GHAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1cccc(-n2nnnc2C)c1 19714478 FNNKAIDEWYBSCL-UHFFFAOYSA-N 394.435 3.794 0 40 GHAB O=C(OCN1C(=O)c2ccccc2C1=O)c1cc(-c2ccco2)nc2ccccc12 5890429 JHDLBTAZVRDOQA-UHFFFAOYSA-N 398.374 3.905 0 40 GHAB Cc1ccccc1-c1cc2c(=O)n(C[C@@H](O)c3ccc(Cl)cc3)ccn2n1 1889083304 MLZYAADLSJXBHX-HXUWFJFHSA-N 379.847 3.858 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 16503659 DOLGWLUSIQIBRI-UHFFFAOYSA-N 394.452 3.942 0 40 GHAB C[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1 36447649 HJZYCACOLSZWPM-KRWDZBQOSA-N 399.922 3.617 0 40 GHAB NC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1 1775964643 UMTWXZNVNBBFLC-SHTZXODSSA-N 399.366 3.733 0 40 GHAB in-vitro CC(C)(C)[C@H]1CC[C@H](N2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)CC1 2037949781 IIJXNFDCAHKAQG-UZSDIVCKSA-N 379.516 3.607 0 40 GHAB NC(=O)c1c(NC(=O)CSc2nc3ccccc3o2)sc2c1CCCC2 2276581 TXAMPCGWSVHJHT-UHFFFAOYSA-N 387.486 3.598 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)o1 4174134 UQYJFZVUKFBBAB-UHFFFAOYSA-N 381.413 3.617 0 40 GHAB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3ccc(F)cc3F)c(=O)c12 9316354 YMTVZBZDPYBBHV-UHFFFAOYSA-N 380.354 3.553 0 40 GHAB CCc1ccccc1NC(=O)c1cn(CC)cc2c(=O)n(-c3ccccc3)nc1-2 9661433 DTBFCKBABJJUJD-UHFFFAOYSA-N 386.455 3.973 0 40 GHAB Cc1cnc(OC2CCN(Cc3cc(F)ccc3Br)CC2)nc1 653801240 CEZWNVMVQLSFCV-UHFFFAOYSA-N 380.261 3.730 0 40 GHAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(C(C)C)C[C@H]2C[C@@H]1Oc1cnccn1 2332242637 DXQMNRCYMJTVCG-UDKICSLYSA-N 391.519 3.874 0 40 GHAB O=S(=O)(Nc1cccc(C2OCCCO2)c1)c1ccc(Br)cc1 30836282 QNHUEFJXLBGZIT-UHFFFAOYSA-N 398.278 3.685 0 40 GHAB O=S(=O)(c1ccccc1)C1[C@H]2CCC[C@H]1C2(Br)Br 100708670 IIAPSHKZISHKOG-GHMZBOCLSA-N 394.128 3.745 0 40 GHAB O=C(NCCc1ccccc1F)C1CCN(C(=O)c2ccccc2Cl)CC1 40142357 YIDDTRKGLILZLW-UHFFFAOYSA-N 388.870 3.690 0 40 GHAB O=C(NCCCc1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 29572280 NLIGLWMVHPCARH-NRFANRHFSA-N 388.467 3.596 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 917184 BYBGEJNYHOUYLP-UHFFFAOYSA-N 377.473 3.864 0 40 GHAB CCNC(=S)N(Cc1cc2cc(C)ccc2n2nnnc12)C1CCCCC1 1346559 GFBZFPQJYQIMQB-UHFFFAOYSA-N 382.537 3.615 0 40 GHAB COc1ccc(C(=O)N2CCN(c3nc(C)nc4sc(C)c(C)c34)CC2)cc1 1377227 ZEXMKPKZVHUATL-UHFFFAOYSA-N 396.516 3.588 0 40 GHAB C[C@@H](NC(=O)COc1cccc(N2CCCC2=O)c1)C12CC3CC(CC(C3)C1)C2 32765158 UISOJSAKICARJA-NXTQRVMMSA-N 396.531 3.913 0 40 GHAB CC[C@H]1c2ccsc2CCN1C(=O)c1nn(-c2ccccc2F)c(C)cc1=O 32781370 GDLOMEPKODHGEI-INIZCTEOSA-N 397.475 3.891 0 40 GHAB Cc1ccc2cc(CN(C(=O)c3cnccn3)C3CCCCC3)c(=O)[nH]c2c1 4230938 HWCKFBCNXGLIRH-UHFFFAOYSA-N 376.460 3.602 0 40 GHAB CCN(CC)Cc1ccccc1CNS(=O)(=O)C1=Cc2ccccc2CC1 32814193 OPJWNQKESYLYRX-UHFFFAOYSA-N 384.545 3.935 0 40 GHAB CC(C)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 6346973 GBENEMJGBUXPOF-ZDUSSCGKSA-N 380.897 3.769 0 40 GHAB COc1ccc(Br)cc1COC(=O)COc1ccc(C(C)=O)cc1 7692451 KPDAZUHWBCATCC-UHFFFAOYSA-N 393.233 3.783 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(OC)c1 2726525 UGZGLYDHDORUSA-UHFFFAOYSA-N 386.267 3.657 0 40 GHAB O=C(NCc1ccccc1)NC1(C(=O)NCC2(c3ccccc3)CC2)CCCC1 32907966 UURXUQOCIDQXRH-UHFFFAOYSA-N 391.515 3.647 0 40 GHAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(OC)c(Br)c1 109760116 VXAUFFFBKCOWRH-LBPRGKRZSA-N 378.332 3.952 0 40 GHAB CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccccc3OC)nc21 2746255 JVAXUCJDJHEMMA-UHFFFAOYSA-N 393.472 3.739 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1C 8412640 WKQSWAVHEDSUAS-UHFFFAOYSA-N 398.459 3.684 0 40 GHAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1C 687655 HDOVVBCKMHAUGU-UHFFFAOYSA-N 382.489 3.916 0 40 GHAB Cc1nn(C)c(Cl)c1/C=C/C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 22286248 QOWQCWRVLRXUNL-SNAWJCMRSA-N 397.258 3.953 0 40 GHAB COCCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccccc1C 9322863 GLUJZOOFFKPNBB-HXUWFJFHSA-N 396.512 3.894 0 40 GHAB O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCOc2ccccc21 25312717 MQLCIDNJZXGNAG-UHFFFAOYSA-N 394.452 3.527 0 40 GHAB CC(C)c1nnc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)s1 956511 ITNWAHVQIOCAGC-UHFFFAOYSA-N 392.440 3.714 0 40 GHAB O=C(Nc1ccccc1)n1ccc(-c2nn(-c3ccc(Cl)cc3)ccc2=O)n1 1392534 MSNVHRMDTNQYFL-UHFFFAOYSA-N 391.818 3.830 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 12507816 DOAODFKURQHLFL-IBGZPJMESA-N 391.862 3.779 0 40 GHAB CN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1nc2ccccc2[nH]1 55550905 QNDMDVTZDDGSSF-UHFFFAOYSA-N 390.468 3.831 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 12554727 FFHVCXOVQFYLBT-UHFFFAOYSA-N 391.496 3.975 0 40 GHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccccc1 20151465 WWYXUJKAMODESX-UHFFFAOYSA-N 382.441 3.574 0 40 GHAB C[C@H](C(=O)OC1c2ccccc2-c2ccccc21)N1C(=O)[C@H]2CCCC[C@H]2C1=O 103060249 HIAGTSFPMOTBDR-XMCHAPAWSA-N 389.451 3.863 0 40 GHAB CCOc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416414 FKSDGDWDVTZGAZ-CQSZACIVSA-N 390.842 3.547 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1ccc(F)c(F)c1F 3238937 QXACZZSZFAPZCG-UHFFFAOYSA-N 387.741 3.626 0 40 GHAB CN1CCC(Nc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)CC1 57825633 ZWMIPZVPTNYLID-UHFFFAOYSA-N 380.521 3.533 0 40 GHAB CC(C)(C)N1CCCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 58174143 QRQJQLJLGUHPAB-NRFANRHFSA-N 386.584 3.557 0 40 GHAB O=C(NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)C1CCCCC1 58225376 VGTMGEXTVWZHES-UHFFFAOYSA-N 379.504 3.778 0 40 GHAB N[C@@H](Cc1ccccc1)c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 2193561 PNSJBYMIDQDWNK-HNNXBMFYSA-N 388.880 3.696 0 40 GHAB COc1cc2c(cc1OC)-c1cc(N[C@H](C)c3ccccc3)nc(=O)n1CC2 2152522 HQEBDFUASOJPSD-CQSZACIVSA-N 377.444 3.657 0 40 GHAB biogenic Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 27825417 DYRQKDGRCBUKLQ-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 3311554 AOZKDIFVRSGLIQ-UHFFFAOYSA-N 381.215 3.747 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 12783315 XMHYEWGOYOFQAE-TZIWHRDSSA-N 394.471 3.929 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)cc1OCC 11358847 OEZQPTKVTUOEFI-UHFFFAOYSA-N 379.359 3.558 0 40 GHAB O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)c1cnccn1 12779858 SCJWPNIJINDORZ-UHFFFAOYSA-N 380.351 3.675 0 40 GHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)nc3ccccc23)no1 12806412 LGIGKPXSWWHBNV-ZDUSSCGKSA-N 391.383 3.975 0 40 GHAB COc1ccc([C@H](O)C2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1 12869082 YWTZINGILZZRHN-IBGZPJMESA-N 376.403 3.951 0 40 GHAB Cc1ccc(NC(=O)NC(=O)COC(=O)C2(c3ccc(F)cc3)CCC2)c(C)c1 12891141 IEGWNCGEUTZWNA-UHFFFAOYSA-N 398.434 3.756 0 40 GHAB O=C(COc1ccccc1F)Nc1ccccc1C(=O)NCCc1ccccc1 3426034 KOSDDLKPYCAPAE-UHFFFAOYSA-N 392.430 3.816 0 40 GHAB Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 3481398 MYUOEHBCCIWLRB-UHFFFAOYSA-N 392.908 3.688 0 40 GHAB CN(CCC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F 12902111 CMOXYQUINBNVPY-UHFFFAOYSA-N 379.382 3.605 0 40 GHAB COc1cc(C(=O)O[C@H](C)c2ccccc2Cl)cc(Cl)c1OCC(N)=O 12901228 UIAZDSHMFLDTPN-SNVBAGLBSA-N 398.242 3.784 0 40 GHAB O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1ccc2c3c(cccc13)CC2 12980572 YBBXXXUDYANYEO-UHFFFAOYSA-N 377.469 3.925 0 40 GHAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(CN2C(=O)CNC2=O)c1 12929585 XEZVOQPFTJCSGU-UHFFFAOYSA-N 397.434 3.562 0 40 GHAB CC(C)c1ccc(CNC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 13235400 XWICQSYSXLIOJW-FQEVSTJZSA-N 379.460 3.786 0 40 GHAB CCOc1ccc2c(c1)CN(C(=O)c1[nH]nc(C3CC3)c1Br)CC2 64088290 SRRXEVTVCCHZAZ-UHFFFAOYSA-N 390.281 3.647 0 40 GHAB C[C@@H](Sc1nccn1-c1cccc(F)c1)C(=O)Nc1ccc2c(c1)OCCO2 5174763 VFJYMOOJXDKFAL-CYBMUJFWSA-N 399.447 3.902 0 40 GHAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccnc2)no1 5321610 IXDZGBBAVBOJIA-IBGZPJMESA-N 387.395 3.851 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)o2)c1C 6462881 IZCVGOHWQOVHIY-SNVBAGLBSA-N 391.474 3.893 0 40 GHAB CC(C)CN1CCO[C@@H](CNC(=O)c2cc3c(s2)-c2ccccc2CC3)C1 14189864 PWAITEITMKBBOF-SFHVURJKSA-N 384.545 3.600 0 40 GHAB CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 14245360 ZFOUDBJIUBNJTM-AWEZNQCLSA-N 394.924 3.689 0 40 GHAB Cc1cccn2cc(-c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)nc12 5461056 LCRUWXINYHDESZ-HOTGVXAUSA-N 383.517 3.976 0 40 GHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1nc2ccc(F)cc2s1 6583474 BOYBMRJFOBOXIX-UHFFFAOYSA-N 382.420 3.633 0 40 GHAB Cc1ccc2c(CSc3nnc(-c4ccc(F)cc4)n3N)cc(=O)oc2c1C 6532605 XVWUSMQMLBAFNX-UHFFFAOYSA-N 396.447 3.814 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCCCC3)cc2)cc1 5602557 CFLROMZYSCLTKV-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)NC(C)C)n3C)cc2C1 5776273 IWPUZFUIZUZANO-GFCCVEGCSA-N 378.567 3.675 0 40 GHAB Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cnn(C)c3-n3cccc3)cc2)n1 173196239 QCAZIBAEFQWNQY-KRWDZBQOSA-N 388.475 3.504 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(C)c1)S2 6812167 UQEUXTQLMDACJK-OALUTQOASA-N 393.516 3.937 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2F)c1 6938905 WEAVQXSKYOGVDM-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB CC[C@H](C)n1c(SCC(=O)N2CCCC[C@H]2CC)nc2cc(C)[nH]c2c1=O 67238775 SVJZXVHSIZVHLH-LSDHHAIUSA-N 390.553 3.887 0 40 GHAB Cc1cc(C)nc(NC2=NCN(Cc3ccccc3)CN2Cc2ccccc2)n1 19320327 ZKSJDJCDPAHDEZ-UHFFFAOYSA-N 386.503 3.794 0 40 GHAB CCCSc1nnc(S[C@H](C)C(=O)NCc2ccc(OC)cc2)s1 7397591 RLDAALWUSLTPOL-LLVKDONJSA-N 383.564 3.846 0 40 GHAB CC(=O)c1cccc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c1 68002842 XYCZSHRFRRZFLC-HXUWFJFHSA-N 377.444 3.518 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2N1Cc1ccccc1 306138002 RMKDPPYETDNTHO-VXKWHMMOSA-N 375.447 3.709 0 40 GHAB COc1ccc(C(=O)Nc2nnc(CCCc3ccccc3)s2)c(OC)c1 9095402 GDVMSYQTAYKJGH-UHFFFAOYSA-N 383.473 3.983 0 40 GHAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nncs2)C12CCCC2 71281845 CNLCXWQVNAVRBI-INIZCTEOSA-N 384.505 3.829 0 40 GHAB COc1ccc(CC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1OC 8009531 UJPQXDUIFKGFNS-UHFFFAOYSA-N 393.487 3.707 0 40 GHAB CC(C)[C@H](NCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 8004083 AIBGAKZPHBZJFR-QFIPXVFZSA-N 383.467 3.878 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)COc2ccccc2C)cc1OCC 16753300 LGHJRSDICFRNCM-UHFFFAOYSA-N 397.431 3.860 0 40 GHAB CCn1c2ccccc2c2cc(/C=C/C(=O)N[C@@]3(C)CCS(=O)(=O)C3)ccc21 70040815 PHXHOVFJXRIQKU-CRWWQRIJSA-N 396.512 3.521 0 40 GHAB COc1cc(CN2CCC[C@@H]([C@H](C)O)C2)cc(Br)c1OC(F)F 96003590 VWSKEIQOCBJHMX-CMPLNLGQSA-N 394.256 3.652 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C)cc1Br 19680084 DXKXTEXOJADGRB-UHFFFAOYSA-N 382.279 3.803 0 40 GHAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnnn2C(C)C)o1 9516969 WDLDHTVQAZBZOJ-UHFFFAOYSA-N 383.437 3.560 0 40 GHAB CCOc1ccc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)cc1 97108891 QTJRSCLFBGUDNG-INIZCTEOSA-N 390.365 3.742 0 40 GHAB Cc1cccc(CC(=O)OCC(=O)Nc2ccc(C)cc2Br)c1 72331185 PRNWUCDPUVQZFE-UHFFFAOYSA-N 376.250 3.790 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)OCc1cccc(F)c1F 84339129 IRZGHRIULYCMBH-UHFFFAOYSA-N 381.684 3.542 0 40 GHAB CSC[C@H](NC(=O)N1CCN(c2ccc(Cl)cn2)CC1)c1ccccc1 95960528 BJVIOZAJNNXMQZ-KRWDZBQOSA-N 390.940 3.671 0 40 GHAB Cc1csc(=O)n1CCC(=O)N(c1ccc2c(c1)OCO2)C1CCCCC1 89702589 BURPXQABMHOCKR-UHFFFAOYSA-N 388.489 3.703 0 40 GHAB O=S(=O)(Nc1ccc(Br)c2cccnc12)c1ccc(F)cc1 27930349 BPMDPWIXDPLGGU-UHFFFAOYSA-N 381.226 3.937 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(-n2ccnc2C)cc1 20451651 XDFNOOIIKVZKNJ-NRFANRHFSA-N 379.460 3.663 0 40 GHAB CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)c1cc(-c3ccco3)n[nH]1)C2 56907364 YIPKWIZRSBVHEN-UHFFFAOYSA-N 390.447 3.568 0 40 GHAB O=C1[C@@H]2C[C@@H](CN2Cc2c[nH]nc2-c2ccccc2)N1c1ccccc1Cl 12242601 PKJSZGOZLYVYMV-LPHOPBHVSA-N 378.863 3.720 0 40 GHAB CCN(CC)C(=O)CN1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72348762 HCXWMSRQPHEAIE-UHFFFAOYSA-N 383.511 3.859 0 40 GHAB Cc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 72362600 FOSPAKHLHQZBOC-QGZVFWFLSA-N 391.475 3.639 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)c2n[nH]nc2Nc2ccc(OC)cc2)c1 38487167 HYYQNJVTHUTGLH-UHFFFAOYSA-N 397.435 3.607 0 40 GHAB COc1ccc(C2(CNC(=O)Cn3ccc4ccc(F)cc43)CCOCC2)cc1 72402590 ZJKIUIAQUQXNMP-UHFFFAOYSA-N 396.462 3.654 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C 38755703 QSDDOYIOHHAARN-HXUWFJFHSA-N 384.476 3.877 0 40 GHAB COC(=O)c1cccc(Cn2cc(/C=C3/SC(=O)NC3=O)c3ccccc32)c1 33732163 HCANHBUTXQPLHE-VCHYOVAHSA-N 392.436 3.800 0 40 GHAB CC(C)C[C@H](NC(=O)N1CCC2(CC1)CCS(=O)(=O)CC2)c1cccs1 562349254 VWJGFHZNTXJNTO-INIZCTEOSA-N 398.594 3.836 0 40 GHAB Cc1nc(-c2ccccc2NC(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)cs1 562904128 FQMPCZGRJRDMRH-NVXWUHKLSA-N 393.534 3.596 0 40 GHAB CCC(=O)N(Cc1cccc(OC)c1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 224014140 MMSGJUNFJJUXBM-PGRDOPGGSA-N 396.531 3.960 0 40 GHAB NC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Br)nc2c1 226344061 DEYXJGDTAHSFJM-UHFFFAOYSA-N 395.054 3.854 0 40 GHAB COc1ccc(CN(C(=O)C(C)C)[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1 222984761 JARSQGJGSYSBLX-SFHVURJKSA-N 382.504 3.693 0 40 GHAB O=C(NC[C@H]1CCCO1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078777 AUDMBLJHCAPYMC-LJQANCHMSA-N 398.890 3.842 0 40 GHAB COc1cc(N2CCCCC2)nc(NC(=S)NCc2ccc(Cl)cc2)n1 225933084 ZODQSEMGZPDJMI-UHFFFAOYSA-N 391.928 3.616 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccc4c(c3)OCO4)o2)cc1 40037654 NUWXFCXGMVZPDO-AWEZNQCLSA-N 379.416 3.584 0 40 GHAB COc1ccc(C[C@@](C)(O)CNC(=O)Nc2ccccc2C(F)(F)F)cc1 77184904 RXRPHXZKDMQYPX-GOSISDBHSA-N 382.382 3.829 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 224656714 AYVITRASEICXAQ-INIZCTEOSA-N 388.895 3.662 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1F 225457628 ZRSVDGXCSLGFGO-MSOLQXFVSA-N 384.495 3.743 0 40 GHAB CCN1C[C@H]2C3(CCN(Cc4ccc(C)o4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 97952838 ACQYSMLCSCBKFT-XUZZJYLKSA-N 399.579 3.525 0 40 GHAB O=C(Nc1ccc(OC(F)F)cn1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 582709604 JAGUEZAZRXPNEE-IXDOHACOSA-N 389.402 3.719 0 40 GHAB CCOC(=O)CN(C)Cc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 91695407 PKGMJVKFZXPBNU-UHFFFAOYSA-N 395.425 3.828 0 40 GHAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)[C@H]3CCCCO3)CC2)n1 257309039 TZHBHCDMLIEBHC-HXUWFJFHSA-N 383.492 3.883 0 40 GHAB C[C@@H]1CCC[C@H](N2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@H]2C)C1 252427040 SNIZDVPEJYDTHR-GGPKGHCWSA-N 390.535 3.905 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCCCN2CCC[C@H](C)C2)c(C)c1 260735145 FTEQNUBJOMENJP-HNNXBMFYSA-N 377.554 3.580 0 40 GHAB COCC1(C2CCC2)CN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C1 664208880 ANACNORFYICFNZ-QFBILLFUSA-N 391.581 3.589 0 40 GHAB Cc1ccc2c(c1Br)CN(C(=O)Nc1ncn(C(C)(C)C)n1)C2 666670495 MMMGVRBOZLMCKA-UHFFFAOYSA-N 378.274 3.652 0 40 GHAB O=C(NCC[C@@H]1CC1(F)F)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 621418751 JPCCMNMZQPDFFF-UKRRQHHQSA-N 389.849 3.788 0 40 GHAB O=C(NCC1CCN(c2ccncc2)CC1)c1ncsc1Nc1ccccc1 646952221 GXHOBHDYJUHZRI-UHFFFAOYSA-N 393.516 3.928 0 40 GHAB COc1ccc2c(c1)N(CNC1(c3ccc(Cl)cc3)CCCC1)C(=O)C2=O 58182271 GMSVLESWFRINPH-UHFFFAOYSA-N 384.863 3.895 0 40 GHAB N[C](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O 1560411670 NKUXOSIKGLFVHW-UHFFFAOYSA-N 396.470 3.841 0 40 GHAB COCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1 5045860 RYPMCUGKPPUNTK-UHFFFAOYSA-N 396.516 3.939 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 12017533 GNDIHGXIRKDVMJ-ACRUOGEOSA-N 388.423 3.948 0 40 GHAB COc1ccc(C(=O)OCc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 15734240 TWWGTQHVOVXJFO-UHFFFAOYSA-N 392.436 3.789 0 40 GHAB CCOc1cc(C(=O)NCC(=O)Nc2ccccc2CC)ccc1OC(F)F 16013964 CBYXWMDRWBGWSB-UHFFFAOYSA-N 392.402 3.618 0 40 GHAB CCc1cc2c(=O)n(NC(=O)c3csc(-c4ccc(C)cc4)n3)cnc2s1 17245401 PCXQXEXCJPASEX-UHFFFAOYSA-N 396.497 3.836 0 40 GHAB Cc1nccn1CCCC(=O)N1CCC[C@@H](c2nc(C)n3c(C)csc23)C1 19240407 QDKYGXBNIZOMRM-QGZVFWFLSA-N 385.537 3.704 0 40 GHAB O=C(N[C@@H](Cc1ccsc1)c1cccnc1)[C@@H]1CSC(c2ccncc2)=N1 19338014 NRRSFCKSSPZGQV-ROUUACIJSA-N 394.525 3.500 0 40 GHAB c1ccc2c(c1)NC1(CCN(Cc3ccnc4ccccc34)CC1)N1CCN=C21 19376074 FIFMCTKGYXHLDR-UHFFFAOYSA-N 383.499 3.715 0 40 GHAB C[C@H](Cn1cnc2ccccc21)C(=O)NCc1noc(-c2ccc(Cl)cc2)n1 19457768 MOWGCLKJIYYQGY-CYBMUJFWSA-N 395.850 3.692 0 40 GHAB CC(C)(C)c1csc(CCNC(=O)C2(c3ccccc3F)CCOCC2)n1 19662204 OIKVRWAHIMCVRE-UHFFFAOYSA-N 390.524 3.987 0 40 GHAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)c2)cc1 19691093 PXZXVTONGSMBQS-QFIPXVFZSA-N 380.488 3.951 0 40 GHAB CCN(CC)CC(=O)N1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccccc1C 19713698 GUCKRKMPGHDBNU-ZJSXRUAMSA-N 399.579 3.599 0 40 GHAB CC(=O)NC1(c2ccccc2)CCN(C[C@H](O)c2ccc3c(c2)CCCC3)CC1 12188482 ISHOFTFWUJPENM-DEOSSOPVSA-N 392.543 3.726 0 40 GHAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 4308631 FJKDELKFVAVGJL-SFHVURJKSA-N 380.778 3.909 0 40 GHAB C[C@@H]1CCC[C@@H](CNC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)[C@@H]1C 1227437663 JSDGYTHFTSZLBJ-KURKYZTESA-N 392.588 3.865 0 40 GHAB c1ccc(-c2ccc(N3CCN(Cc4csc(C5CC5)n4)CC3)nn2)cc1 1888901339 UKLNSISZQBDENM-UHFFFAOYSA-N 377.517 3.800 0 40 GHAB Cn1cc(-c2ccc(F)cc2)nc1Nc1cc(C2CCN(CCO)CC2)ccn1 2037846007 KZMYAIGSPDGQJF-UHFFFAOYSA-N 395.482 3.537 0 40 GHAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@@](O)(COc2ccccc2)CC1 2037913095 QQSHOPWHXITNJI-NRFANRHFSA-N 391.870 3.844 0 40 GHAB CC1(C)Cc2cccc(OCc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)c2O1 7454056 BMFUXALAUKBAIA-IBGZPJMESA-N 381.472 3.888 0 40 GHAB Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3c(F)cc(F)cc3s2)no1 9206885 AELONMCBJYOHJU-LLVKDONJSA-N 379.388 3.697 0 40 GHAB COc1cccc(CN2CCn3c(COCc4ccccn4)cnc3[C@@H]2C)c1 2055729802 OAGPTKACEFDISM-KRWDZBQOSA-N 378.476 3.580 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207013603 DKIXMUCNZIIZHF-CYBMUJFWSA-N 397.456 3.622 0 40 GHAB O=C(CCSc1ccccc1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575612217 JKMGSMYWKDBQRE-HNNXBMFYSA-N 377.897 3.682 0 40 GHAB C=Cn1ncc(CN2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)c1C 12123203 GSAHVALBFHUVGP-UHFFFAOYSA-N 393.539 3.594 0 40 GHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(OCc2nccn2C)cc1 40119428 QCLSRIWQCRJQRA-MRXNPFEDSA-N 379.460 3.807 0 40 GHAB CCc1ccc(N2C[C@H](c3nnc(NC(=O)CC(C)(C)C)s3)CC2=O)cc1 20579817 TWLOWBIERRVZAK-CQSZACIVSA-N 386.521 3.996 0 40 GHAB COc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)N2CCCC2)cc1 17911337 BTYVBKJDZLGXNY-NRFANRHFSA-N 382.504 3.644 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC(C)C)ccc2Cl)cc1 1006531 IBRQQWZHZGWBLA-UHFFFAOYSA-N 396.896 3.535 0 40 GHAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)c3ccco3)cc2c1 1359536 JJWOSWPNAOMTIB-GOSISDBHSA-N 380.444 3.559 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 3441648 QXUYYPOXVASWCA-UHFFFAOYSA-N 393.306 3.882 0 40 GHAB CCc1cccc2c(SCC(=O)NCCOC)nc(-c3ccc(F)cc3)nc12 4895313 FABYSYSWPGXANL-UHFFFAOYSA-N 399.491 3.853 0 40 GHAB O=C(COc1ccccc1)NC(=S)Nc1cccc(Cl)c1N1CCCC1 6257974 GMCWUWTYCGZDNH-UHFFFAOYSA-N 389.908 3.832 0 40 GHAB Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1CCc1ccccc1 6383819 DWJSOTWSVPYMFF-UHFFFAOYSA-N 386.451 3.827 0 40 GHAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccc2ccccc2n1 6558429 XWPNYCZMZJYUJQ-SZGUKTLCSA-N 376.412 3.827 0 40 GHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1C(F)(F)F 6954723 ZGIMFVGZSBFPAN-UHFFFAOYSA-N 384.379 3.849 0 40 GHAB C[C@H](NC(=O)CCNC(=O)c1ccccc1Cl)c1ccc(-n2ccnc2)cc1 10051944 JKTCJOQNBKAKBL-HNNXBMFYSA-N 396.878 3.523 0 40 GHAB Cc1nc(SCc2c(Cl)ccc(Cl)c2Cl)[nH]c(=O)c1CCO 11905788 FHGHSQQWENFXMJ-UHFFFAOYSA-N 379.696 3.866 0 40 GHAB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)c1ccc(OC)cc1 8203083 NXVQUSIXRWXEED-UHFFFAOYSA-N 397.500 3.881 0 40 GHAB CCC(CC)C(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 100158980 QYUVNNPBMJSQSA-XBXGTLAGSA-N 397.445 3.969 0 40 GHAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2Nc3cccc4cccc(c34)NC2=O)cc1 646837 QJFUPNCWTKRSMK-IBGZPJMESA-N 388.427 3.560 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2noc(Cc3ccccc3)n2)cc1 28527366 VGHGWPGWECZJDA-UHFFFAOYSA-N 397.456 3.568 0 40 GHAB COC(=O)c1cc(NC(=O)C2CCN(Cc3ccccc3)CC2)ccc1Cl 9062841 DLULNABNBNIYDM-UHFFFAOYSA-N 386.879 3.977 0 40 GHAB CCOC(=O)c1sc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1C 9871148 PUVJCYPVNZQOKY-ZDUSSCGKSA-N 390.486 3.675 0 40 GHAB CC(C)(C)C(=O)N[C@@H](n1cnc2c(Cl)ncnc21)C(Cl)(Cl)Cl 879763 NKISBMWYNJHMDE-VIFPVBQESA-N 385.082 3.511 0 40 GHAB O=C1NC2(CCCC2)C(=O)N1CCCNCc1cc(-c2ccccc2)cs1 54153390 PVGLJGWUPGEJEP-UHFFFAOYSA-N 383.517 3.759 0 40 GHAB CN1CCN(c2ccc(CNC(=O)c3ccc(C4CCCCC4)cc3)cn2)CC1 24193270 XWAOKFCEFGWOBT-UHFFFAOYSA-N 392.547 3.811 0 40 GHAB O=C(O)c1cccc(S(=O)(=O)N(Cc2ccco2)c2cccc(F)c2)c1 55621746 HUDLOAKCDJJMDN-UHFFFAOYSA-N 375.377 3.512 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)c(C)c1 35378082 RIQDSXYHHUGTRN-UHFFFAOYSA-N 389.864 3.508 0 40 GHAB O=C(CCn1cnc2ccccc21)NCc1ccc(NC(=O)c2ccco2)cc1 12535355 IFFJFPHWJFWHSJ-UHFFFAOYSA-N 388.427 3.588 0 40 GHAB Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 102593609 OVUWNCFGSFNZFK-BGJURXJTSA-N 398.462 3.805 0 40 GHAB CC(C)c1noc(CCCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)n1 58107031 PWAWSCQOAOIIGP-HZPDHXFCSA-N 386.496 3.768 0 40 GHAB Cc1nnc2n1N[C@@H](c1ccc(O)cc1)[C@@H](C(=O)c1ccc(Cl)cc1)S2 27525582 GYWVLUSIEKVPGP-RDJZCZTQSA-N 386.864 3.588 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1C 22338782 RXNMHZYWJHVDOP-SFHVURJKSA-N 388.533 3.564 0 40 GHAB Cc1nc(CC(=O)N[C@@H](C)CCc2ccccc2)[nH]c1Cc1ccc(O)cc1 36235026 DEOIDSQCNUFQNY-INIZCTEOSA-N 377.488 3.695 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N[C@H](c1ccccc1)C1CC1 10677696 UIMOWTQALZZXQC-QGZVFWFLSA-N 396.306 3.887 0 40 GHAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2449015 JZOVRICZXKZXSJ-OXQOHEQNSA-N 391.423 3.526 0 40 GHAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4cc(C)ccc4C)CC3)n2)cc1 12759835 LYIVZNZIWSFCLI-UHFFFAOYSA-N 390.487 3.620 0 40 GHAB COc1cccc(NC(=S)NC(=N)Nc2nc(C)c3cc(C)ccc3n2)c1 17208455 WKYJZIUHRIFHJQ-UHFFFAOYSA-N 380.477 3.589 0 40 GHAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CC1)NCc1ccc(Cl)cc1 3447523 TUSRPBKGPHKDOW-UHFFFAOYSA-N 378.255 3.885 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccc4ccccc34)ccc21 63764495 PABYTVFKHWMNKJ-UHFFFAOYSA-N 394.496 3.617 0 40 GHAB CCCCN1CCCC[C@H]1CNc1nn2c(=O)cc(-c3ccccc3)nc2s1 62580944 HMXYVTRNINUAMT-KRWDZBQOSA-N 397.548 3.885 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C)c(Cl)c1 12914716 IJKQEHUBFUHKPQ-UHFFFAOYSA-N 380.897 3.524 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4)o3)cc2NC1=O 13002733 DPNYUQJVWWINCI-CYBMUJFWSA-N 377.400 3.632 0 40 GHAB Cc1ccn(-c2ccc(NC(=O)c3ccc(Cn4cc(Cl)cn4)o3)cc2)n1 28245563 JOGMCWBSHHYXJT-UHFFFAOYSA-N 381.823 3.924 0 40 GHAB Cc1ccc(OCC(=O)N2N=C3CCCCC[C@@H]3[C@@]2(O)C(F)(F)F)cc1C 5024391 AXQKTTYQSLEIPV-MAUKXSAKSA-N 384.398 3.712 0 40 GHAB Cc1cccc(-n2nnc(-c3nn4c(Cc5ccccc5)nnc4s3)c2C)c1 5032553 HZOXAPCDLMNXQJ-UHFFFAOYSA-N 387.472 3.641 0 40 GHAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(C2CC2)C4)cc1OC 13731967 KRVZMJUZRJVOTE-UHFFFAOYSA-N 379.412 3.792 0 40 GHAB biogenic Clc1cccc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 65185561 XLRDIGLCTKLZQY-UHFFFAOYSA-N 382.763 3.760 0 40 GHAB O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1CCOc2ccccc21 65578426 YPKZXKSDFJXRBE-PZJWPPBQSA-N 379.504 3.722 0 40 GHAB CC(C)(C)c1ccc(OCCOc2ccc(/C=C3/NC(=S)NC3=O)cc2)cc1 4503477 JMOHKAOMAGPRLG-XMHGGMMESA-N 396.512 3.787 0 40 GHAB CCOC(=O)c1sc2nc([C@@H](C)Nc3cccc(OC)c3)[nH]c(=O)c2c1C 6651682 MQFKOXJNAAQKNC-LLVKDONJSA-N 387.461 3.651 0 40 GHAB CC(C)CC(=O)Nc1ccc(NCC(=O)Nc2cccc3nsnc23)cc1 19079400 AECTYKAQTKUAFS-UHFFFAOYSA-N 383.477 3.727 0 40 GHAB CCc1cccc(C)c1NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 409204209 CNUVMFBQKRCDFU-UHFFFAOYSA-N 388.533 3.815 0 40 GHAB O=C(CCc1ccccc1O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 8993933 GAFIILLZBXESSN-UHFFFAOYSA-N 376.460 3.948 0 40 GHAB COc1ccc(SCCNC(=O)c2cc(-c3ccc(OC)cc3)on2)cc1 80345396 FIIYSEBPAFPAOF-UHFFFAOYSA-N 384.457 3.881 0 40 GHAB CC1=NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2N1CC(C)C 15867687 LKJYNXBCMMQQLV-UHFFFAOYSA-N 385.489 3.830 0 40 GHAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cc(=O)c2c1 15859917 GYIUASFEYSZDMS-KRWDZBQOSA-N 380.444 3.570 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)CCCSc2nc3ccccc3[nH]2)cc1 7986730 QEQCBVQKRLNBEP-UHFFFAOYSA-N 396.516 3.841 0 40 GHAB COC(=O)CCCCCNCC(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 8150680 DQWCXNSZKZDIQN-UHFFFAOYSA-N 380.794 3.620 0 40 GHAB NC(=O)c1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)ccc1O 9376493 URHOGWCHWAOPTA-UHFFFAOYSA-N 379.441 3.630 0 40 GHAB COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 9482065 GOASWZQDIKLDBA-INIZCTEOSA-N 391.471 3.596 0 40 GHAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)no1 9503268 OXLVNDWYQSZNMI-ZDUSSCGKSA-N 383.477 3.620 0 40 GHAB CC(=O)N1C[C@@H](C(=O)Nc2nc(-c3ccccc3)c(C)s2)Oc2ccccc21 9738080 NOLSGTOXONEGMU-SFHVURJKSA-N 393.468 3.871 0 40 GHAB Cc1csc(N2CCC(NCc3ccnc(N4CCCCCC4)c3)CC2)n1 97016836 USPDKOHRYJLPJT-UHFFFAOYSA-N 385.581 3.986 0 40 GHAB CC(C)Cn1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc2c1=O 79492084 NSHAFZZYKRDTFY-QFIPXVFZSA-N 390.483 3.871 0 40 GHAB COc1ccc(-c2oc3c(O)c4oc(=O)cc(C)c4cc3c2CC(=O)O)cc1 1547138832 UBTMFDNRCGLNCA-UHFFFAOYSA-N 380.352 3.856 0 40 GHAB biogenic O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[C@H]1CCCNC1=O 60211903 MTTQTQADGJMYAR-PKOBYXMFSA-N 388.920 3.557 0 40 GHAB O=C(c1cccs1)N1CC[C@@]2(C1)Cn1c(-c3cccc(F)c3)cnc1CO2 306125581 CUPYLHDYHHZKAG-HXUWFJFHSA-N 383.448 3.566 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc2c(c1)N(C)CCO2 173965496 JSBIHZIVIMKBKL-UHFFFAOYSA-N 382.851 3.915 0 40 GHAB Cc1cccc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2cccs2)c1 306133691 MSWGGYWXTQSPKU-NHCUHLMSSA-N 377.513 3.940 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cc4ccccc4[nH]3)n2)C1 35598432 HOJJRWJLFRMHES-AWEZNQCLSA-N 383.473 3.707 0 40 GHAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2cccs2)n1 35424918 LYNMIVXXJSJHCL-INIZCTEOSA-N 385.493 3.589 0 40 GHAB biogenic,in-vitro O=C(Cc1cccnc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72358817 OYRWGZABSHPOEY-SFHVURJKSA-N 376.435 3.626 0 40 GHAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72345988 TZJYCNCCVIQKHC-SFHVURJKSA-N 390.462 3.814 0 40 GHAB Cc1nc(CN2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)cs1 31259860 JIRZDAWTOFKTQV-UHFFFAOYSA-N 388.295 3.855 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)c1cnc2sc3c(n2c1=O)CCCC3 35373141 KAQZMCIJIRPQPJ-UHFFFAOYSA-N 377.828 3.680 0 40 GHAB CCCCNS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(C(=O)O)c1 217550411 LVRLEIIVJMDEIB-AWEZNQCLSA-N 376.478 3.636 0 40 GHAB CCOC(=O)N1CCN(Cn2c(=S)sc3cc(OCC)ccc32)CC1 32109929 OVFRQXVZQOHPPN-UHFFFAOYSA-N 381.523 3.563 0 40 GHAB CN(C)c1cccc(C(=O)Nc2ccc3c(N4CCCCC4)ncnc3c2)c1 65135009 TVSIICPFDGCZAH-UHFFFAOYSA-N 375.476 3.938 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219568438 JASJUMHZUSNBFJ-INIZCTEOSA-N 381.432 3.527 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(Cl)c1 223590595 NPAFVJRPPIPVTA-INIZCTEOSA-N 388.895 3.581 0 40 GHAB CCCC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)N[C@@H](C)CC 223255133 PAKKSGGARCRPOX-UONOGXRCSA-N 383.330 3.881 0 40 GHAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@@H](Oc2cccc3cccnc23)C1 238922820 UGIREWJRNJPUAQ-MRXNPFEDSA-N 388.876 3.730 0 40 GHAB CCOCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OCC 224699045 VPHKADXBCLKJCL-UHFFFAOYSA-N 386.467 3.723 0 40 GHAB CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224953714 UQMFSJUJSPTWEC-UHFFFAOYSA-N 385.869 3.581 0 40 GHAB O=C(NCCCOC1CCCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 225884875 GQSZXCOFTVCBIE-SILNSSARSA-N 398.528 3.985 0 40 GHAB CCCCC[C@](C)(O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)OC 220442059 QQCOAAFKJZXJFP-TWZRNWMUSA-N 382.541 3.521 0 40 GHAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1CCCNc1ccccc1 225034673 LNBXIOJXIDFQBZ-WOJBJXKFSA-N 377.517 3.884 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCCN2CCC(C)CC2)c1C 225436893 VBEWNUQMCJKKHZ-UHFFFAOYSA-N 377.554 3.580 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCCOc1cc(C)ccc1C)CCCC2 224048743 SCAMQRHNPSIBLO-UHFFFAOYSA-N 389.517 3.548 0 40 GHAB CCOc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(C)cc3C)n2)cc1 225106089 FKTIOGYJUJPROD-UHFFFAOYSA-N 379.460 3.953 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 220150737 ZLJCXEDONXABKO-ZWKOTPCHSA-N 388.533 3.644 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1C 225070219 NOPRWGBDGWEBBS-FQEVSTJZSA-N 396.531 3.668 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccccn3)CC2)Oc2ccccc21 96053325 DHQJVQDYQXSBSW-LJQANCHMSA-N 393.531 3.897 0 40 GHAB CCC(CC)N1C[C@@H](C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)CC1=O 591171182 LIJRMOAMDAXBLD-AWEZNQCLSA-N 388.899 3.810 0 40 GHAB CC[C@@H]1COCCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 607834116 CIGCFQVUFHGCPO-LLVKDONJSA-N 382.247 3.827 0 40 GHAB COCCOc1ccc(-c2noc([C@@]3(C)COc4ccccc4O3)n2)cc1F 624534419 DJQRDSSUOGEEPZ-HXUWFJFHSA-N 386.379 3.588 0 40 GHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)cc1 96119036 HBGXKEUFBRGPFP-HNNXBMFYSA-N 396.472 3.776 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN(C)Cc2cccnc2)C3)cc1 585104889 VYKKWUVXVNGLPY-JOCHJYFZSA-N 393.531 3.533 0 40 GHAB Cn1cc(CCNC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cn1 53971039 HXIZEWBEQICRQC-UHFFFAOYSA-N 390.462 3.999 0 40 GHAB COCc1ccc(C(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 5085133 RVLSNHKDEFRTPE-MBAYWBQQSA-N 385.504 3.711 0 40 GHAB COc1cccc(CN2CCC(c3cc4ncccc4c(O)n3)CC2)c1OC 12232123 OKZIORZAOUGDCH-UHFFFAOYSA-N 379.460 3.732 0 40 GHAB COc1ccccc1CN(CCN(C)C)C(=O)Cc1c(C)[nH]c2c(C)cccc12 12238270 GVNMLTFUIOIZJR-UHFFFAOYSA-N 393.531 3.926 0 40 GHAB Fc1cccc(-n2nnnc2SCc2nnc(-c3ccccc3Cl)o2)c1 12972183 KIKHQHMGXQDZFD-UHFFFAOYSA-N 388.815 3.797 0 40 GHAB COc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 13991595 AOTVBBOBSDEXHK-UHFFFAOYSA-N 390.439 3.643 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3ccc(C)s3)o2)cc1 19211462 BCQVZAYBRJDJFD-OAHLLOKOSA-N 389.502 3.941 0 40 GHAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4cccnc4)C3)noc2n1 19568832 QQFCZODBCGBXPI-ZDUSSCGKSA-N 390.365 3.965 0 40 GHAB CCn1nc(C)c(-c2cc(C(=O)NCC(C)(C)c3cccc(F)c3)[nH]n2)c1C 19660909 WQLXTQNKPXQRAU-UHFFFAOYSA-N 383.471 3.757 0 40 GHAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3cnn(C)c3)c2)cc1 19690717 GHPOGYANKULKMJ-NRFANRHFSA-N 376.460 3.776 0 40 GHAB CC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 19901418 HHLFSEBDSQQYPL-NRFANRHFSA-N 386.511 3.685 0 40 GHAB C[C@@H]1CN(C(=O)c2ccc(-c3ccc(N)cc3Br)o2)C[C@@H](C)O1 226301738 KLYCHSRVOMPQPQ-GHMZBOCLSA-N 379.254 3.541 0 40 GHAB Cc1ccc(C)c(CN2C(=O)N(c3cc(C)ccc3C)[C@@H]3CS(=O)(=O)C[C@H]32)c1 4484227 NNFRPDXKFJGFRU-NHCUHLMSSA-N 398.528 3.528 0 40 GHAB COc1ccc(C2(C(=O)N[C@H](C)Cn3c(=O)oc4ccccc43)CCCC2)cc1 12141977 KSEYRZQNFQFPOY-MRXNPFEDSA-N 394.471 3.620 0 40 GHAB CCn1cc(CN2CCC[C@@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)cn1 1565541921 RTCQNUHXGRAAHU-HSZRJFAPSA-N 380.536 3.759 0 40 GHAB COc1ccccc1-c1ccc(SCC(=O)NCCc2ccccc2)nn1 5107970 CSQYXBOLYFQMMO-UHFFFAOYSA-N 379.485 3.603 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-n2cccc2)cc1C 5242374 ALJLPBIBFPSKEC-UHFFFAOYSA-N 393.472 3.999 0 40 GHAB CCOCCNC(=O)C(=O)c1cn(Cc2ccccc2Cl)c2ccccc12 6659305 ZZACPMHSGDQCKT-UHFFFAOYSA-N 384.863 3.678 0 40 GHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2Cl)NC(=S)N1 8767117 HPWGAHGBAJRVOM-MRXNPFEDSA-N 375.856 3.911 0 40 GHAB CCOc1ccc(NC(=O)CSc2nccn(-c3ccc(C)cc3)c2=O)cc1 9320371 UPBFQDOLAXUAQD-UHFFFAOYSA-N 395.484 3.670 0 40 GHAB CCCc1cnc2c(c1SCc1cccc(Cl)c1)c(=O)n(C)c(=O)n2C 10216914 JFLHTGBCXAIYMG-UHFFFAOYSA-N 389.908 3.530 0 40 GHAB CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1cccs1 49007752 AVHRAHGLCBFXEW-UHFFFAOYSA-N 386.502 3.791 0 40 GHAB COc1cc(CNC(=O)CCc2ccccc2)ccc1OCc1ccncc1 40121661 FWJOCZHVZKYFPD-UHFFFAOYSA-N 376.456 3.918 0 40 GHAB CC(=O)N[C@@H](C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CCCC1 40071990 WKFHDACGISYEQU-DHIUTWEWSA-N 376.500 3.856 0 40 GHAB COc1ccc(NC(=O)c2ccc(CN(C[C@H]3CCOC3)C3CC3)cc2)cc1 40105896 HCQXIXAJAHMMKS-GOSISDBHSA-N 380.488 3.948 0 40 GHAB Cc1c(C(=O)Nc2ccc(OCc3nccn3C)cc2)cnn1-c1ccccc1 40135164 OKUGLIOIMSZMEG-UHFFFAOYSA-N 387.443 3.746 0 40 GHAB Cc1cc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)c2c(C)nn(C)c2n1 50379559 HEEIYHSNOMNVKL-GOSISDBHSA-N 396.466 3.546 0 40 GHAB Cc1cc(C)cc(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c1 8194011 MUDMFDJRNFMVMD-UHFFFAOYSA-N 383.444 3.578 0 40 GHAB CCOC(=O)c1cc2sc(C)cc2n1CCCN1C(=O)c2ccccc2C1=O 1338247 DSODBNUHVWRYGD-UHFFFAOYSA-N 396.468 3.874 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCCOC(=O)c1cccnc1 1846400 AYJVGKWCGIYEAK-UHFFFAOYSA-N 377.824 3.683 0 40 GHAB in-man Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCC(C)CC1 2778344 NDTHQXXJKGPJQU-JTQLQIEISA-N 382.224 3.792 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)C2 102133653 PPVXAUGRUKQYJA-GDKCJGSASA-N 390.833 3.852 0 40 GHAB CC(=O)[C@H]1C[C@@H](CC(=O)NC(=O)Nc2ccc(Br)cc2)C1(C)C 3171949 HOWPMEDKYHYTGO-SMDDNHRTSA-N 381.270 3.739 0 40 GHAB Cc1cc(=O)c(C(=O)Nc2cccc3ncccc23)nn1-c1ccccc1Cl 32739240 ZDYIAUZCDNIYHN-UHFFFAOYSA-N 390.830 3.995 0 40 GHAB CCCc1ccc([C@@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c2cccs2)cc1 32745053 PPJUGAWQKRUPIA-DYESRHJHSA-N 382.529 3.917 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@H](C)c1ccc2c(c1)OCO2 32802102 UARFAXWVLHZDPF-CQSZACIVSA-N 392.459 3.778 0 40 GHAB CCc1ccc(NC(=O)c2ccc3c(=O)n(CCCOC)c(S)nc3c2)cc1 32843846 AGKKMDLQWDDPTJ-UHFFFAOYSA-N 397.500 3.536 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c1 102422499 AUGUGOVRIIYGRI-TWOQFEAHSA-N 382.485 3.662 0 40 GHAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc(C)c1C 8412603 AJBNEWKKGDWNLL-UHFFFAOYSA-N 382.460 3.903 0 40 GHAB CC(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 12138850 IKFOQXICTJFDCZ-LJQANCHMSA-N 396.487 3.736 0 40 GHAB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 10889780 OGJKWOSRVFSADE-SJORKVTESA-N 395.532 3.589 0 40 GHAB CCn1c(-c2ccc(S(=O)(=O)N(C)C)cc2)cs/c1=N\c1ccccc1 16806546 CTTPSLJMZPKQAQ-VXPUYCOJSA-N 387.530 3.719 0 40 GHAB COc1ccc(CCNC(=S)Nc2c(Cl)cncc2Cl)cc1OC 629057 BSNHTUALXBUYIR-UHFFFAOYSA-N 386.304 3.935 0 40 GHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H]1CCC[C@H](C(F)(F)F)C1 41902715 YUGYCSCUTMQFOO-RLLCIZMQSA-N 386.458 3.556 0 40 GHAB FC(F)(F)C1(C(F)(F)F)N=C(c2cccnc2)OC(N2CCCCC2)=N1 721371 GCPZCSOGTCRJRM-UHFFFAOYSA-N 380.292 3.521 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCC[C@H]1c1nc2ccccc2s1 42294829 YBXZNRMPQPCHAH-ZBFHGGJFSA-N 395.484 3.983 0 40 GHAB COc1ccc2c(c1)NC(=O)[C@]21Nc2ccccc2C(=O)N1Cc1ccc(C)cc1 54679972 CIDCBPOYEBKGNH-DEOSSOPVSA-N 399.450 3.877 0 40 GHAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)Cc3ccc(C)c(C)c3)n(C)n2)CC1 100687695 YQZPLISGUAAGJI-TYKWCNGQSA-N 396.579 3.731 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccncc3)C2)c2ccccc12 12527295 SATGGUOTRZMCHW-MRXNPFEDSA-N 389.455 3.734 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCCCCCC2)CC1 78307666 PPICSPCGEAQAHS-UHFFFAOYSA-N 392.927 3.994 0 40 GHAB COc1ccccc1COC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 8231086 MXFKZPMTCCNGQB-INIZCTEOSA-N 387.863 3.944 0 40 GHAB CC1(C)CC(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)CC(C)(C)N1 57129008 NCIOHDQWUHDCCZ-UHFFFAOYSA-N 382.504 3.743 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 44356509 QNNZEHMWUMFNLI-HUUCEWRRSA-N 379.526 3.702 0 40 GHAB Cc1noc([C@H](C)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)n1 26984169 VPXAZXCHBDZBKD-KRWDZBQOSA-N 377.492 3.873 0 40 GHAB Cc1cc2nc(NC[C@H](O)COc3c(C)cccc3C)c3ccccc3n2n1 58412823 WZNNCEDJKPVKGM-KRWDZBQOSA-N 376.460 3.660 0 40 GHAB C[C@H](C(=O)Nc1ccccc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 12750787 AYCPFDMLJOBAJE-OAHLLOKOSA-N 392.425 3.640 0 40 GHAB NC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1 10577534 MTKYYVOTVOGCRS-KRWDZBQOSA-N 395.459 3.856 0 40 GHAB COc1cccc(-c2nc(COC(=O)c3cc(CO)oc3C)cs2)c1OC 10725322 WIFSIFFVQMVEAV-UHFFFAOYSA-N 389.429 3.578 0 40 GHAB CC(C)(C)c1cn2nc(N3CCC[C@H](C(=O)Nc4ccccc4)C3)sc2n1 12740778 BSNMXJLFHSMZJX-AWEZNQCLSA-N 383.521 3.943 0 40 GHAB CC[C@@]1(C)Cc2ccccc2-c2nc(NCCCO)n(-c3ccccc3)c(=O)c21 2394795 MZPINEFXPDPYQS-DEOSSOPVSA-N 389.499 3.918 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccccc1OC(F)(F)F 10996699 CWGIJDVVAYOPLL-UHFFFAOYSA-N 392.377 3.571 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N(C)C2CCCC2)cc1 20034879 FTKGVJTWNJKGOA-UHFFFAOYSA-N 386.517 3.835 0 40 GHAB CCOc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccc2Cl)cc1 2442700 YJSAXYNQSNZMPB-UHFFFAOYSA-N 388.880 3.564 0 40 GHAB CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc2c(c1)OCCO2 12870923 WVZJQRCHCHCGIP-UHFFFAOYSA-N 383.429 3.790 0 40 GHAB CCc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)N(C)C)cc1 12883864 GCMCWJOWLKICHX-KUHUBIRLSA-N 397.544 3.714 0 40 GHAB CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nccs1 3415055 BMRNTVRERVFHMN-OAHLLOKOSA-N 391.562 3.931 0 40 GHAB CCc1ccc2nc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)sc2c1 12915288 JPRBVSDGPAGFQY-UHFFFAOYSA-N 393.468 3.760 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1NC(C)=O 408556414 IHDUONWVDGALSZ-UHFFFAOYSA-N 376.478 3.770 0 40 GHAB C1=NN2C(=NC3=C([C@@H](c4ccccc4)Oc4ccccc43)[C@H]2c2cccnc2)N1 13213601 RBLHCPMTICONNZ-FGZHOGPDSA-N 379.423 3.886 0 40 GHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCCN(CC(F)(F)F)CC1 60092591 ZYCOWPBKASUWQO-ZDUSSCGKSA-N 378.822 3.512 0 40 GHAB Cc1cccc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@H]2C)c1 13647280 QIUBBZIOZFIKGJ-GOSISDBHSA-N 384.487 3.839 0 40 GHAB COc1ccc2c(CCNc3nc(=O)c(-c4ccc(Cl)cc4)n[nH]3)c[nH]c2c1 27526460 YHLAFUHMKKLBKL-UHFFFAOYSA-N 395.850 3.630 0 40 GHAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2OC)cc1 6318378 KZQSEVPXGZEZFE-UHFFFAOYSA-N 390.867 3.990 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 14019683 BOAOIMUHCGXKMO-UHFFFAOYSA-N 381.520 3.774 0 40 GHAB O=C(Cn1nnc2ccccc21)N(CCc1ccccc1)Cc1cccs1 14129404 PLENKPXIFOMCJT-UHFFFAOYSA-N 376.485 3.764 0 40 GHAB COc1ccc(NC(=O)COc2ccc3c(C(C)C)cc(=O)oc3c2)c(OC)c1 5466457 QWNUYCGSBVLBEZ-UHFFFAOYSA-N 397.427 3.951 0 40 GHAB COc1ccc2[nH]c(=O)c(CN(C(=O)[C@@H]3CCCO3)c3ccc(C)cc3)cc2c1 8579954 DRLFLUODRXODNK-NRFANRHFSA-N 392.455 3.557 0 40 GHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN(C)c2ccccc2)cc1 6553499 LOWSMMJJDQOBHJ-UHFFFAOYSA-N 387.483 4.000 0 40 GHAB CC(C)=CCOc1cc2oc(=O)c(CC(=O)NC3CC3)c(C)c2cc1Cl 6669388 QQZMNIUHPZZYFJ-UHFFFAOYSA-N 375.852 3.921 0 40 GHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C/c1ccco1 6790510 QYLQXOZPEHIAQF-BQYQJAHWSA-N 386.448 3.566 0 40 GHAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)c1ccc(F)c(C(F)(F)F)c1 67034439 LGLCSZFMEKBCFX-MFKMUULPSA-N 380.341 3.852 0 40 GHAB COc1ccc(C)cc1-n1c(SC[C@@H]2CCCO2)nc2ccccc2c1=O 5937353 ANGBFBRMCXEJGI-HNNXBMFYSA-N 382.485 3.974 0 40 GHAB CCCNC(=O)[C@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 7190159 YPBZSBHMHOTBME-ZDUSSCGKSA-N 393.944 3.528 0 40 GHAB CCOc1cccc2cc([C@H](C)NC(=O)CNC(=O)c3cccc(C)c3)oc12 9254531 OPQDYNQJKAKRCT-HNNXBMFYSA-N 380.444 3.747 0 40 GHAB O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCN(c2nccs2)CC1 23009830 LJLFDYZUBLOALL-UHFFFAOYSA-N 381.526 3.933 0 40 GHAB N=c1sccn1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 7239081 PQTHNVTUOIGFTN-HNNXBMFYSA-N 386.864 3.653 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCC(C)CC2)o1 15860492 NRQPFGQCNXFWJA-LJQANCHMSA-N 394.471 3.897 0 40 GHAB CCOc1ccc([C@H](C)NC(=O)c2cc(=O)[nH]c3ccccc23)cc1OCC 16045304 JERJBJRZXWDMFX-AWEZNQCLSA-N 380.444 3.817 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CC1 9118025 HTZNZNUDWAOWEH-UHFFFAOYSA-N 379.291 3.783 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 9379527 IHVBCBFOPRXCDR-UHFFFAOYSA-N 379.504 3.732 0 40 GHAB COc1cccc([C@H](CNc2ncnc3c2cnn3-c2ccccc2)N(C)C)c1 9453943 ULAOHBZQDQHDPA-FQEVSTJZSA-N 388.475 3.539 0 40 GHAB Fc1ccc(-c2nnc3sc(-c4cncc(Br)c4)nn23)cc1 9486266 WCBCXIRUVUUJRU-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB CCc1ccc(-c2csc(NC(=O)CNC(=O)Cc3ccccc3)n2)s1 9479262 VALTWOONCVOSMA-UHFFFAOYSA-N 385.514 3.731 0 40 GHAB C[C@@H](Nc1cnn(Cc2ccccc2)c(=O)c1Cl)c1ccc2c(c1)OCO2 71793331 PUXSOLFOPKKMTF-CYBMUJFWSA-N 383.835 3.847 0 40 GHAB COc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)cc1F 83957111 MHPNFZDZANBHGF-UHFFFAOYSA-N 395.312 3.997 0 40 GHAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCCC(=O)NCc1ccccc1 84636989 APJXXALRUULUMT-SFHVURJKSA-N 381.520 3.749 0 40 GHAB CCN(CCC1CCN(CC(=O)Nc2cc(F)ccc2F)CC1)CC1CC1 95458279 HPQFKAMGQOCIGV-UHFFFAOYSA-N 379.495 3.737 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)NCCCN(C)c3ccccc3)o2)cc1 24925071 UHCCJHSVSSNZST-UHFFFAOYSA-N 378.476 3.620 0 40 GHAB Cc1c(C(=O)Nc2ccc3oc(=O)ccc3c2)nnn1-c1cccc(Cl)c1 9970580 HLRNNBBWEPZDEN-UHFFFAOYSA-N 380.791 3.588 0 40 GHAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)c2ccccc2)CC1=O 408640932 BQKVBWQKXUIBJG-ZBFHGGJFSA-N 385.847 3.816 0 40 GHAB O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cc2ccccc2o1 38486366 UHTDIGJTGQYDBT-UHFFFAOYSA-N 377.375 3.838 0 40 GHAB Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N1CC2(CCOC2)C1 516401684 FNGFFVRZUZTJOK-UHFFFAOYSA-N 394.450 3.942 0 40 GHAB COc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)c(OC)c2c1OCO2 35324997 SSBSRCKVAPPNHE-BQYQJAHWSA-N 379.368 3.849 0 40 GHAB O=C(c1cc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c[nH]1)N1CCCC1 524245142 LPAUFLGHOBEKOV-NRFANRHFSA-N 377.488 3.933 0 40 GHAB CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)OC(C)C 34536756 FPABVZYYTCHNMK-HTHDWVONSA-N 396.568 3.910 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1C)N(c1ccccc1)S(C)(=O)=O 36067895 WBVFPHZMASZLEF-XLIONFOSSA-N 388.533 3.725 0 40 GHAB Cc1cccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2ccccc2)CC1 72340671 XRIBKPOUWULPSN-XMMPIXPASA-N 391.490 3.933 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Cl)c2)C1=O)Nc1ccccc1 214511847 ASNTUYBOWGLXGN-OQLLNIDSSA-N 388.832 3.721 0 40 GHAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 225698468 QDSYUDOTYVGNIR-NRFANRHFSA-N 376.497 3.612 0 40 GHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NCCCOC 222989575 FTEAXWAOMNQKPH-NRFANRHFSA-N 398.503 3.866 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 225002598 QVTSBWPHHYBJFB-ZWKOTPCHSA-N 382.504 3.570 0 40 GHAB COc1ccc(CC(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1C 225631955 KCTMUFWXMWLXRQ-UHFFFAOYSA-N 385.851 3.908 0 40 GHAB Cc1cccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)C)c1 225507979 XXHHALRAILTMKV-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB CCCC[C@H](CC)CNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223632352 FXDHYZZIEWYRSZ-KRWDZBQOSA-N 382.570 3.909 0 40 GHAB C[C@@H]1CN(C(=O)C2CCN(C(=O)Nc3cccc4ccccc34)CC2)C[C@@H](C)O1 47698179 SQQDOTDOLZJMAK-IAGOWNOFSA-N 395.503 3.720 0 40 GHAB FC1(F)C(F)(F)[C@@](F)(Br)C1(Br)Br 86860973 CBLRSOIUUWXHBU-UWTATZPHSA-N 382.746 3.817 0 40 GHAB CC(C)n1c(Cl)nc2cc(C(=O)N(CC(=O)O)Cc3ccco3)ccc21 222557252 QQPQDWIVLONZRC-UHFFFAOYSA-N 375.812 3.591 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc1 223001332 RKMRZAFMOIDFGX-UHFFFAOYSA-N 382.279 3.599 0 40 GHAB CS(=O)(=O)[C@](Cl)(Br)C(=O)c1ccc(-c2ccccc2)cc1 96518148 SNVBKZJWUKFKPK-HNNXBMFYSA-N 387.682 3.868 0 40 GHAB CC(C)N1CCN(c2ccc3ccc(C(=O)NCc4cccc(F)c4)cn23)CC1 96156086 WSHPLVSWNZDYJC-UHFFFAOYSA-N 394.494 3.539 0 40 GHAB N=c1scc(-c2ccc(Oc3ccccc3)cc2)n1CCCS(=O)(=O)O 334157859 NLAZYDOCGVPKFJ-UHFFFAOYSA-N 390.486 3.766 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3ccoc3)CC2)Oc2ccccc21 96053334 XTTJCRRMZKLQTP-SFHVURJKSA-N 396.487 3.735 0 40 GHAB Cc1ccc(CN2CCC3(CC2)Oc2c(O)cccc2[C@H]2OCCC[C@@H]23)cn1 257226444 FKPXTENIBHIVIH-PZJWPPBQSA-N 380.488 3.991 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cccc(-c3cnc4n3CCC4)c2)cc1C 90607225 RSOURZUNFWVZBG-UHFFFAOYSA-N 383.473 3.614 0 40 GHAB CC(=O)c1ccc(OCC(=O)Nc2cc(-n3ccc4ccccc43)ncn2)cc1 90614298 CVXZNLGUFJCKOL-UHFFFAOYSA-N 386.411 3.641 0 40 GHAB O=C(c1cccc2ncnc(O)c12)N1CC(Cc2ccccc2C(F)(F)F)C1 1621995400 PMSASJSOWJSNQV-UHFFFAOYSA-N 387.361 3.669 0 40 GHAB Cc1nnc2c3ccccc3c(N3CCC[C@]4(CC(=O)c5ccccc5O4)C3)nn12 624535557 ONYRRCWUHBYFAY-QHCPKHFHSA-N 399.454 3.590 0 40 GHAB Cc1ccc(OC[C@H](O)CNCc2cc3cc(C)cc(C)c3nc2O)c(C)c1 585284500 LMPMCUAFXOAARZ-HXUWFJFHSA-N 380.488 3.704 0 40 GHAB O=C([C@@H]1CCCn2cc(C(F)(F)F)nc21)N1CCC(c2cscn2)CC1 585123910 NBNRQVRIBFJOAM-GFCCVEGCSA-N 384.427 3.642 0 40 GHAB CC(C)c1noc(CCCC(=O)NCc2ccc(N3CCCCCC3)nc2)n1 48261575 NERCLIIQGQEPSC-UHFFFAOYSA-N 385.512 3.608 0 40 GHAB c1ccc(-c2n[nH]cc2CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1 72327157 FOJNYXKPZWHYJT-UHFFFAOYSA-N 398.514 3.557 0 40 GHAB CCn1c(O)c(C(=O)Nc2ccc(Br)cc2)c(=O)c2ccccc21 5445125 ZBKMUJNXWATCCH-UHFFFAOYSA-N 387.233 3.742 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 5560599 ZOEXEABLPHSTAP-ZOCIIQOWSA-N 375.465 3.806 0 40 GHAB COc1cccc(NC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 11562715 NTXHVGUHOINKFT-UHFFFAOYSA-N 396.443 3.593 0 40 GHAB CO[C@H](C(=O)N1CCC[C@H](c2ncncc2-c2cc(C)no2)C1)c1ccccc1 12118418 ZWBKPSROYNQVAN-UWJYYQICSA-N 392.459 3.534 0 40 GHAB C[C@@H]1C(c2ccc(F)cc2)=NO[C@@H]1C(=O)N[C@@H](c1ccccc1)c1cccnc1 12148264 IYYDYLUMERKHEI-YDFBLROQSA-N 389.430 3.866 0 40 GHAB O[C@H]1CC2(CCN(C[C@H](O)c3ccc4c(c3)CCCC4)CC2)Oc2ccccc21 12330241 OXSDXEJQZORRNL-GOTSBHOMSA-N 393.527 3.950 0 40 GHAB CC(=O)c1ccc(O[C@@H](C)C(=O)OCc2nc(-c3ccc(C)cc3)no2)cc1 12805089 NSIPDLHZXKQQGV-HNNXBMFYSA-N 380.400 3.758 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)c1 13612333 DHQSVVMGXXMFEP-UHFFFAOYSA-N 388.423 3.924 0 40 GHAB c1ccc(-c2nnc([C@@H](c3ccccc3)N3CCC4(CC3)OCCO4)o2)cc1 16493554 ZVHBEFMMGQNEBW-LJQANCHMSA-N 377.444 3.665 0 40 GHAB O=C(c1ccccc1F)N1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 19347608 VNNITNJCVJSAOW-GOSISDBHSA-N 397.277 3.624 0 40 GHAB CC(C)CC(=O)N1CCC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 19446283 ZCPSICDLNIQUTI-QHCPKHFHSA-N 397.519 3.627 0 40 GHAB COc1cc(C)c(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)cc1OC 19567033 XVDHBKUQURBWAX-FXAWDEMLSA-N 394.519 3.664 0 40 GHAB Cc1noc(C)c1Cc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCC2)o1 19581034 ORXWJTBGOHDOEM-GOSISDBHSA-N 385.508 3.956 0 40 GHAB COc1cccc(-c2cc(C(=O)NCc3ccccc3N3CCCC3)on2)c1 19718106 BGEGQKHSFDZZMB-UHFFFAOYSA-N 377.444 3.880 0 40 GHAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 1889176642 COYJESOENNOWJM-HNNXBMFYSA-N 381.373 3.981 0 40 GHAB Cc1ccc(OCC2(O)CCN(C(=O)c3c(F)cccc3F)CC2)cc1C 2037916166 RVZPYVOPGQHJHN-UHFFFAOYSA-N 375.415 3.628 0 40 GHAB Cc1ccc(C(=O)N2CCC(F)(F)[C@]3(CCN(Cc4csc(C)n4)C3)C2)o1 1565555253 DEBNCAMVMDEQQO-SFHVURJKSA-N 395.475 3.726 0 40 GHAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)s1)c1ccc(Cl)s1 1775968635 IAVHJYLLYJCUFU-VIFPVBQESA-N 389.907 3.735 0 40 GHAB COP(=O)(OC)[C@@H](NC(=O)c1ccccc1)c1nnc(-c2ccccc2)o1 26842562 GOPHIYRHVIUBSA-GOSISDBHSA-N 387.332 3.651 0 40 GHAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccc(Br)cc1 5154075 HNNNIZATXXDHMR-UHFFFAOYSA-N 385.261 3.927 0 40 GHAB O=C(Cc1csc(Nc2ncccn2)n1)N1CCC(Cc2ccccc2)CC1 49029379 MXDQUGWGOANOSP-UHFFFAOYSA-N 393.516 3.701 0 40 GHAB COc1cc(OC)c(NC(=O)CCc2ccc3c(c2)OCCO3)cc1Cl 11604655 DNULAXQPSMOVJM-UHFFFAOYSA-N 377.824 3.700 0 40 GHAB COc1ccc(OCC(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cc1 724441 YSUWNQFHBDYJDA-UHFFFAOYSA-N 392.480 3.839 0 40 GHAB aggregator CCOc1ccc(NC(=O)c2sc(NC(=O)CC)c(C(=O)OC)c2C)cc1 871247 XZFGELPOWZKLAJ-UHFFFAOYSA-N 390.461 3.843 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)o2)c(OC)c1 929426 SNFXEPGNHDLZKG-BETUJISGSA-N 391.493 3.635 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc(OC)cc2OC)cc1 1983981 IRQMHSYESMCIRN-GLNPCMGASA-N 383.444 3.850 0 40 GHAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc(Br)c[nH]1 32747427 SGEIOWPMSWETHN-UHFFFAOYSA-N 393.281 3.761 0 40 GHAB CCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(CC)cc1 3426048 RHDXRVGABJKXJD-UHFFFAOYSA-N 381.505 3.510 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc2nc(C)cc(C)n2n1 3428433 UQWYVZGSPRIVPA-NSHDSACASA-N 391.884 3.522 0 40 GHAB Cc1ccc(-n2nc(C)cc2NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 32859976 RUFMDGBQYMLYAN-UHFFFAOYSA-N 388.471 3.797 0 40 GHAB CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(NC(=O)C3CC3)c2)C1 4581392 UIIAODUJUMDQCH-OXQOHEQNSA-N 376.522 3.624 0 40 GHAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2cccc(-n3cccc3)c2)cc1 6589551 LJRUPZOXUNLDNP-UHFFFAOYSA-N 376.412 3.866 0 40 GHAB CCCCCNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 6597055 HQCHUEYTCDLZRL-UHFFFAOYSA-N 388.533 3.805 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 7504879 UVGCKVKFCNULSF-FQEVSTJZSA-N 388.895 3.855 0 40 GHAB NS(=O)(=O)c1cccc(NC(=O)/C=C/c2sc3ccccc3c2Cl)c1 7940929 BTTLHPKHRWAQAU-CMDGGOBGSA-N 392.889 3.854 0 40 GHAB CC(C)(C)NC(=O)c1ccc(NCC(=O)N[C@H]2CCCc3ccccc32)cc1 32909062 LGKDUMSMIWAADH-FQEVSTJZSA-N 379.504 3.821 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)o2)cc1 10475575 GROZBKBBABDJDS-UHFFFAOYSA-N 397.456 3.890 0 40 GHAB CN(Cc1ccccc1)C(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 8091288 ZOIASKYTDDBSDP-DEOSSOPVSA-N 386.495 3.978 0 40 GHAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(c1ccccc1)S(C)(=O)=O 8220360 DBBJPOPTOGUPSD-NSHDSACASA-N 387.288 3.787 0 40 GHAB CCOc1cc(CNc2nnnn2CC)ccc1OCc1ccc(Cl)cc1 8340029 IYDJBOCNBSLJEK-UHFFFAOYSA-N 387.871 3.936 0 40 GHAB COCCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2C)n1 8476452 UEPSWQUSYMJOJO-UHFFFAOYSA-N 398.894 3.971 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810426 PQOQLNNZZSSHBK-UHFFFAOYSA-N 384.860 3.762 0 40 GHAB CC(C)C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccccn2)CC1 100152729 VEWSPXVSAGSAEN-CALCHBBNSA-N 381.524 3.651 0 40 GHAB CC1CCN(Cc2ccccc2CNC(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 46897792 XVIHBULPIBRRPC-NRFANRHFSA-N 391.515 3.661 0 40 GHAB CN1CCN([C@@H](CNC(=O)Nc2ccc(Cl)cc2)c2cccs2)CC1 22424463 IOXWULBWANHKOX-INIZCTEOSA-N 378.929 3.512 0 40 GHAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccccc1-n1ccnc1 20105927 UTUHBFZUNHDLIF-UHFFFAOYSA-N 396.299 3.799 0 40 GHAB c1ccc(-c2cc(-c3nn4c(-c5ccc6c(c5)OCO6)nnc4s3)no2)cc1 12389180 VGYRIKDRBBTZCM-UHFFFAOYSA-N 389.396 3.904 0 40 GHAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN(C)[C@H](C)c1ccc(F)c(F)c1 104649668 UHYIAKMAELRXKH-CXAGYDPISA-N 393.430 3.609 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC1 1059651 BQHQSVHEKKUNAK-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1 21038727 ABULUZCSHCFQAB-UHFFFAOYSA-N 383.448 3.567 0 40 GHAB Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)CN2CCCCCC2)[C@H]3CCC1 55065788 DWUJFNMLPXHGHA-XXBNENTESA-N 381.564 3.880 0 40 GHAB O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1 54672218 OBDCPWFMKYIRKF-QGZVFWFLSA-N 393.270 3.750 0 40 GHAB O=C(NC1CCCCCC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 3070613 LRLMISWFJSYYAY-NRFANRHFSA-N 390.483 3.733 0 40 GHAB O=C(CSc1nncc2ccccc12)Nc1cc(Cl)ccc1-n1cncn1 24834307 VVGFGUXCQFHYBI-UHFFFAOYSA-N 396.863 3.595 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 24968863 UBQHMWZNMGUURU-QGZVFWFLSA-N 392.459 3.573 0 40 GHAB Cc1nc(CN2CCN(C(=O)Nc3cccc(N4CCCCC4)c3)CC2)cs1 56741621 VAZFZFJKXWGREG-UHFFFAOYSA-N 399.564 3.792 0 40 GHAB COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1[C@H](C(=O)OC)CC2 1744097 SMJOXQCRTUDUDG-LLVKDONJSA-N 393.848 3.643 0 40 GHAB CC(=O)Nc1cccc(-n2cnn(CN(C)[C@@H]3CCc4ccccc43)c2=S)c1 26554571 BKHCMHXVLYQLIX-HXUWFJFHSA-N 393.516 3.938 0 40 GHAB COc1ccc(-n2cnnc2SCC(=O)N2CCCc3cc(C)ccc32)cc1 26934268 XSBROUSYUJFHMY-UHFFFAOYSA-N 394.500 3.656 0 40 GHAB CCCCCOc1ccc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 2250165 WPKVJFBDWZGTAD-UHFFFAOYSA-N 389.540 3.620 0 40 GHAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 36397728 NMDGUYSQPZUYSU-IBGZPJMESA-N 387.505 3.573 0 40 GHAB C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 12789632 VOILBQJDEWPWOX-CMKODMSKSA-N 379.504 3.603 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](C)c1ccc(Br)cc1 12901369 DNTNMZVBRKDZDR-GFCCVEGCSA-N 385.261 3.753 0 40 GHAB CC(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 4245877 VLYLRJADSHHLMD-UHFFFAOYSA-N 388.876 3.962 0 40 GHAB CCc1ccc(CN(C(=O)c2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 5176032 HHCFFJYZCUGNHX-KRWDZBQOSA-N 391.920 3.732 0 40 GHAB COc1cc2c(C(=O)NCc3ccco3)c(C)n(C)c2cc1Br 5354569 QSBBNIQESRFXIU-UHFFFAOYSA-N 377.238 3.781 0 40 GHAB Oc1ccc2c(c1)Oc1ncn3nc(-c4cccnc4)nc3c1[C@@H]2c1cccnc1 5347190 PUCMKKKFXCEHHC-GOSISDBHSA-N 394.394 3.573 0 40 GHAB CCCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 14183152 PMGGXRUHYXQZPQ-JYRVWZFOSA-N 387.288 3.946 0 40 GHAB COc1cccc(C(=O)COC(=O)CCC(=O)Nc2cccc3ccccc23)c1 4543938 ULJFMHMVTIWSEF-UHFFFAOYSA-N 391.423 3.993 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)Nc3cc(Cl)ccc3-n3cncn3)c2O1 6551745 SFIJXLYCGZZMCA-UHFFFAOYSA-N 398.850 3.652 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 17303646 LDPYEECCIQISIY-UHFFFAOYSA-N 382.851 3.707 0 40 GHAB CC[C@@H](C)Nc1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccccc12 6804957 KZFCAGBBMGDZTR-CQSZACIVSA-N 395.488 3.629 0 40 GHAB CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)on1 8395639 IFTUIYIFAZPYML-UHFFFAOYSA-N 398.492 3.691 0 40 GHAB Cc1cc(F)ccc1/N=c1\oc2cc(O)ccc2cc1C(=O)NC[C@H]1CCCO1 67298763 VQJAOKLTPQGSTO-JUZPYSENSA-N 396.418 3.727 0 40 GHAB CCn1nccc1CN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)C 17077813 WMVIXYCCTGOITP-UHFFFAOYSA-N 380.496 3.687 0 40 GHAB Cc1ccc(CC(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1 7069528 BGBYDOZJUFBXFU-UHFFFAOYSA-N 380.213 3.621 0 40 GHAB COc1ccccc1CNC(=O)Cc1csc(COc2ccc(C)cc2)n1 18185117 SNRZFRCCSPQUCY-UHFFFAOYSA-N 382.485 3.898 0 40 GHAB CCc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1-c1ccccn1 8715246 GFTHTCBOVDDJBF-UHFFFAOYSA-N 376.338 3.981 0 40 GHAB CCCOc1cc(S(=O)(=O)N2CCC[C@@H](C)C2)ccc1Br 8714705 YMQSKIINJPWQPF-GFCCVEGCSA-N 376.316 3.659 0 40 GHAB c1cncc(-c2noc([C@H]3CC34CCN(c3ncnc5sccc35)CC4)n2)c1 71890522 PQRHZPKXJDIAAR-OAHLLOKOSA-N 390.472 3.910 0 40 GHAB Cc1ccc(NC(=O)c2cccn3c(I)cnc23)cc1C 79021715 SSNJCSJBGNQDHQ-UHFFFAOYSA-N 391.212 3.808 0 40 GHAB CC(C)c1nnc2sc(-c3c(Br)c(C(C)(C)C)nn3C)nn12 72400495 LDQJTRNWALPZOI-UHFFFAOYSA-N 383.319 3.770 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 79075867 PMTKDRWOXIKQPA-WIYYLYMNSA-N 390.443 3.705 0 40 GHAB Cc1cc2nnc(SC[C@@H]3CO[C@H](c4ccc(Cl)cc4)O3)n2c(C)n1 89610801 YPGIOYOGGRIBIQ-HOCLYGCPSA-N 376.869 3.601 0 40 GHAB O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)OCO2 32127226 GQAKRJJBMJAWRO-UHFFFAOYSA-N 383.454 3.666 0 40 GHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]21 306132616 LNWROMASFRUGQM-PZJWPPBQSA-N 383.444 3.841 0 40 GHAB O=C(Nc1ccnc(Oc2ccccc2Cl)c1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 515369335 ZAHRGPVADICDCC-MUIFIZLQSA-N 383.835 3.944 0 40 GHAB CC(C)COC(=O)c1ccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 33795583 WCEVZIOBVWJCGC-MFOYZWKCSA-N 393.395 3.573 0 40 GHAB CC1CCC(NC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 30513040 ZCTABKHTUJPPMU-UHFFFAOYSA-N 392.546 3.786 0 40 GHAB Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4cnc(C)cn4)C3)n2)c1 72362508 YXABUCVVLDJQJG-KRWDZBQOSA-N 389.459 3.696 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 39772610 UYNDWHMNQCQIOV-IBGZPJMESA-N 396.531 3.799 0 40 GHAB O=C(CN1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1)Nc1nccs1 72358598 KJPAPYBUBKSJLD-HNNXBMFYSA-N 397.479 3.557 0 40 GHAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2NS(C)(=O)=O)cc1 30860421 SGBAGVJXWLVYFB-LJQANCHMSA-N 390.505 3.584 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2ccccc2Cl)C1 38858730 GKRFVQVFQQJLSF-KRWDZBQOSA-N 386.879 3.597 0 40 GHAB CCC(=O)N1CCC[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC(C)C)C1 72391251 NFNILFFWYRQDCH-DEOSSOPVSA-N 393.531 3.835 0 40 GHAB CSc1ccc(CNC(=O)CSc2cc(N3CCCCC3)ncn2)cc1 38654866 GENREPFLXQGYJP-UHFFFAOYSA-N 388.562 3.597 0 40 GHAB CCc1ccc(OCCNC(=O)c2ccc(I)cc2)cc1 223459762 PUPJIYDXCCNQEX-UHFFFAOYSA-N 395.240 3.662 0 40 GHAB COC(=O)c1cc(S(=O)(=O)NCc2ccc3ccccc3c2)ccc1Cl 222816668 ITNKVZXFNWXHJV-UHFFFAOYSA-N 389.860 3.758 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 225373543 RZBGRAVYRJEFKT-OALUTQOASA-N 396.531 3.878 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 224731839 MFDVIJVWYQHWMC-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB CCc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225694681 VIRWDCANIKDSCH-IBGZPJMESA-N 396.531 3.612 0 40 GHAB CCOc1cc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)ncn1 77100990 ZUSSFBUCXSAXRZ-UHFFFAOYSA-N 382.656 3.636 0 40 GHAB O=S1(=O)CC[C@@H](N(Cc2ncc(-c3ccccc3)o2)Cc2cccs2)C1 40012095 DOWXAQMYRWFLID-MRXNPFEDSA-N 388.514 3.592 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1nccc(N2CCCCC2)n1 49399659 BJRCQHUJLVEKOT-UHFFFAOYSA-N 392.912 3.860 0 40 GHAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 223090389 XXAUHSOOVWQKJG-WOJBJXKFSA-N 384.549 3.835 0 40 GHAB Cc1nc([C@H](C)NCc2ccc(-c3ccn(CCn4cccn4)n3)o2)cs1 20865236 JREMXOJJIWBKHR-AWEZNQCLSA-N 382.493 3.656 0 40 GHAB COc1ccc([C@H]2C[C@@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1CO 257295932 RAMSMDFSHCYYKY-CWLVUKNRSA-N 389.536 3.985 0 40 GHAB CCN1CCN(C(=O)C2CCCC2)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 257342165 ZNJYZKULWDJTLW-JOCHJYFZSA-N 391.515 3.541 0 40 GHAB O=C(CN1CCCCCC1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257339302 ZBDUUPSJNFLFIE-HXUWFJFHSA-N 385.483 3.944 0 40 GHAB O=C(Cn1cccn1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257203663 ARASQOXWBNAXKZ-SFHVURJKSA-N 384.867 3.869 0 40 GHAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cnccn4)C3)c2)cc1 257293774 QRDWACPAFRZRCG-GOSISDBHSA-N 388.471 3.875 0 40 GHAB O=c1/c(=C/N(c2ccccc2)c2ccccc2)sc2nc(-c3ccncc3)nn12 256055846 WHOBGUMTBZKUSV-CYVLTUHYSA-N 397.463 3.508 0 40 GHAB COc1ccc(C[C@](C)(O)CNC(=O)Cc2ccc(SC(C)C)cc2)cc1 90595586 WWRGTYSMQNCPEG-QFIPXVFZSA-N 387.545 3.848 0 40 GHAB Cc1ccc(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)c(C)c1 585111147 GRISTLKKHNWPJD-OAQYLSRUSA-N 375.472 3.592 0 40 GHAB Cc1csc(N2CCCN(C(=O)c3cccnc3SC(C)C)CC2)n1 55760402 DMENVVVOGMDMCX-UHFFFAOYSA-N 376.551 3.700 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1565523557 SNOHWBGUWMWUNX-UHFFFAOYSA-N 399.922 3.869 0 40 GHAB O=C(c1cccs1)N1C[C@@H]2C[C@H](C1)c1c(-c3cccs3)ccc(=O)n1C2 5437562 RJPXWCDVGQMADO-UONOGXRCSA-N 382.510 3.898 0 40 GHAB biogenic,in-vitro Cc1nc(C)c(C(=O)N[C@H](Cc2ccccc2)c2n[nH]c3ncccc23)s1 12088234 CBZTXCGSUULWFE-MRXNPFEDSA-N 377.473 3.745 0 40 GHAB CCOc1ccc2[nH]c(C(=O)N[C@@H](C)c3nc(-c4cccnc4)no3)c(C)c2c1 12202387 HAUOCASDQRMSLH-ZDUSSCGKSA-N 391.431 3.811 0 40 GHAB CC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715184 SUJQTMJKCNOMDH-GOSISDBHSA-N 378.469 3.626 0 40 GHAB Cc1cccc2c(=O)cc(CSCC(=O)Nc3nnc(C(C)C)s3)[nH]c12 15865283 HLIFLPLOQNQKDA-UHFFFAOYSA-N 388.518 3.683 0 40 GHAB CCOc1ccc(NC(=N)Nc2nc(=O)c(Cc3ccccc3)c(C)[nH]2)cc1 17077209 JTJMTDKFSQCAQC-UHFFFAOYSA-N 377.448 3.527 0 40 GHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CC2)C1 19528807 VPBZYAJNRZLMMZ-DEOSSOPVSA-N 376.500 3.661 0 40 GHAB COc1cc2c(cc1CN1C[C@@H]3[C@@H](CC[C@@]3(O)c3ccccn3)C1)CCCC2 19550514 BJWQFPAZMYPLJD-LEEZEASISA-N 378.516 3.699 0 40 GHAB COc1ccc(CCNC(=O)[C@H](C)Nc2ncnc3sc(C)c(C)c23)cc1C 19571325 FWZGZKGUHDXCDH-AWEZNQCLSA-N 398.532 3.784 0 40 GHAB Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](c2c(C(N)=O)sc3ncccc23)C1 19702581 GHKJUBMWABNGJX-OAHLLOKOSA-N 397.548 3.779 0 40 GHAB CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2cccc3cccnc23)C1 12157655 SHSIGWCZXIHBGH-ICSRJNTNSA-N 380.517 3.781 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1 5538390 BSRPYCDQZHHLPK-GFCCVEGCSA-N 385.807 3.882 0 40 GHAB CN(C)c1cccc(C(=O)N2CC[C@@H](COc3cccc(C(F)(F)F)n3)C2)c1 1888870049 DCAKOOPAUUJTSF-CQSZACIVSA-N 393.409 3.708 0 40 GHAB O=C(Nc1ccccc1N1CCCC1=O)c1nn(-c2ccccc2)c2c1CCC2 28751019 LLFJOEKKBDKTDX-UHFFFAOYSA-N 386.455 3.740 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc3ccc(-c4ccccc4)nn23)cc1F 5167383 YJFZEJXXSFBDNC-UHFFFAOYSA-N 393.447 3.970 0 40 GHAB COc1cccc(NC(=O)Cn2c(C)nc3c(sc4ccccc43)c2=O)c1 16841915 ROTFHTYJLQNZAP-UHFFFAOYSA-N 379.441 3.567 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)NC1CCCCCC1 22732386 XXSVIOPSRRXDLB-MRXNPFEDSA-N 384.567 3.520 0 40 GHAB C[C@@H](NC(=O)C(=O)NCc1ccc(OCc2ccccc2)cc1)c1ccccc1 38490223 PUNNJRHQRMCDMS-GOSISDBHSA-N 388.467 3.759 0 40 GHAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)cc1 6616726 RJCAJPOIMXZBCE-UHFFFAOYSA-N 392.864 3.952 0 40 GHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1 2093335 BQQRQUQCMRJRHT-FQEVSTJZSA-N 395.411 3.649 0 40 GHAB biogenic O=C(Cn1cnc2ccccc2c1=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117344 SXXOODLXABBYLE-OAQYLSRUSA-N 379.435 3.583 0 40 GHAB CCOC(=O)N1CCC(NC(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 32042022 WHPGLVZNTWXPQP-UHFFFAOYSA-N 378.900 3.889 0 40 GHAB O=C(CCCNC(=O)c1cc2ccccc2o1)NCCc1c[nH]c2ccccc12 20762131 PTCVZKLYDOOSGB-UHFFFAOYSA-N 389.455 3.783 0 40 GHAB biogenic Cc1cccc(C)c1-n1nnnc1SCc1nccn1Cc1ccccc1 32778946 DRGQKTOPEFMNQD-UHFFFAOYSA-N 376.489 3.816 0 40 GHAB CC1CCN(C(=O)CSc2nnc3scc(-c4ccc(F)cc4)n23)CC1 4967166 RKYQVXJWKQDHJZ-UHFFFAOYSA-N 390.509 3.948 0 40 GHAB COC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CCN(C)C2 6379390 XREFTZMCOAPGIR-UHFFFAOYSA-N 390.530 3.644 0 40 GHAB O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680767 PACQENOTLCZZKQ-UHFFFAOYSA-N 382.482 3.704 0 40 GHAB CCOc1ccc(C(=O)Nc2nn3c(-c4ccc(OC)cc4)nnc3s2)cc1 6818155 SJFYZXONIRTZDW-UHFFFAOYSA-N 395.444 3.512 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)cc1 2759906 PFCQLNPFBCJWCT-UHFFFAOYSA-N 386.498 3.932 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1F)N1CCN(c2ccc(F)cc2)CC1 52635609 ICBYKPOVVGAYKE-CYBMUJFWSA-N 379.838 3.767 0 40 GHAB Cc1cc(NC(=O)COc2ccc(F)cc2Br)n(C(C)(C)C)n1 32931767 FNCUNUMFDRNRCJ-UHFFFAOYSA-N 384.249 3.866 0 40 GHAB COc1cccc([C@@H](CNC(=O)CSC)c2c[nH]c3ccccc23)c1OC 22689536 JVVYUNFZRZWPPS-QGZVFWFLSA-N 384.501 3.796 0 40 GHAB COc1ccc(CC(=O)NCCSc2ccc(Br)cc2)cc1 9882706 HOUZNKNYWCBSNC-UHFFFAOYSA-N 380.307 3.909 0 40 GHAB COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCCC4)c3N2)c1 884209 VCUQYMPHIATLAO-HOTGVXAUSA-N 394.397 3.788 0 40 GHAB O=C(/C=C/c1ccccc1F)N1CCN(Cc2nc3ccccc3s2)CC1 24207857 JAFWKXUCSXGZFJ-MDZDMXLPSA-N 381.476 3.793 0 40 GHAB C[C@H](Sc1nnnn1C1CC1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 8391606 TWPZNQMNTCFFDG-BDAKNGLRSA-N 386.308 3.673 0 40 GHAB CCCCOc1ccc(NC(=O)CN2CCN(c3cccc(OC)c3)CC2)cc1 57720107 ZXHYMIIIMPRDIU-UHFFFAOYSA-N 397.519 3.635 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2 12583186 ZDQDUNOQMVKBSL-UHFFFAOYSA-N 385.466 3.907 0 40 GHAB O=C(NCc1ccccc1)c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 100756230 AMYDYBNJVAGEPH-OALUTQOASA-N 394.858 3.639 0 40 GHAB CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)c3ccccc23)cc1 3281713 BIMCLZGODZJQEY-UHFFFAOYSA-N 389.860 3.963 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)[C@@H](C(=O)N1CCCC1)c1ccccc1 57369501 HXPAILYZGCOGBY-HSZRJFAPSA-N 388.515 3.727 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 57958645 JQRGRKKUIOSSJT-QZTJIDSGSA-N 395.400 3.732 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc3c(cc2O)CCCC3)c1C 84005476 DNVDRRAVNZZUPI-CQSZACIVSA-N 383.444 3.847 0 40 GHAB Cc1c(C)c2ccc(OC(=O)CCCNC(=O)OC(C)(C)C)cc2oc1=O 2094844 YKZJUWKNEBJGCR-UHFFFAOYSA-N 375.421 3.620 0 40 GHAB biogenic CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@@H]2c2ccccc2C)c1 58066043 MKXNRLLHFACLAN-OAQYLSRUSA-N 379.460 3.889 0 40 GHAB CC1CCN(CCCNC(=O)[C@H](C(C)C)n2cnc3cc(F)c(F)cc32)CC1 58217929 NFKVTODZIVTGNQ-FQEVSTJZSA-N 392.494 3.750 0 40 GHAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(C)cc2)C1=O 2108346 RSOCZCIKLJDAHG-REWPJTCUSA-N 387.483 3.571 0 40 GHAB biogenic COc1cccc(Cn2cc(NC(=O)c3ccccc3Br)cn2)c1 28220655 KQQUJMRXHRRFRL-UHFFFAOYSA-N 386.249 3.955 0 40 GHAB Cc1nc(C2(NC(=O)c3cc4c(C)nn(CC(C)C)c4s3)CCCC2)no1 48271981 ZJBRGFIFBNEXJW-UHFFFAOYSA-N 387.509 3.953 0 40 GHAB Cc1ccc2c(COC(=O)Cc3ccc(N4CCCC4=O)cc3)cc(=O)oc2c1 25114260 WJVTUAOZAQXODN-UHFFFAOYSA-N 391.423 3.514 0 40 GHAB Cc1ccc(C)c(-c2csc(NC(=O)Cn3cnc4sccc4c3=O)n2)c1 12747347 NMAMXHYPAXBIRI-UHFFFAOYSA-N 396.497 3.837 0 40 GHAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2N)cc1 2415400 QHQMJFSYDFHTNU-UHFFFAOYSA-N 399.495 3.826 0 40 GHAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc2c(c1)OCO2 3420816 XSWBTLZZASVQAK-UHFFFAOYSA-N 393.468 3.908 0 40 GHAB C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NCCc1cccs1 8325113 UDXCMFBRQJMXBN-LLVKDONJSA-N 376.482 3.512 0 40 GHAB Cc1cccc(CN2CCN(C)[C@H](c3cn4c(N5CCCC5)cccc4n3)C2)c1 306135958 PFEDJRCSXJHMFF-QFIPXVFZSA-N 389.547 3.732 0 40 GHAB Cc1cccc(C)c1N(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl 113881997 UUQDQULTDVUVTP-UHFFFAOYSA-N 388.272 3.890 0 40 GHAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CC=C(c3ccccc3)CC2)c1 13067880 JYWFQPNAHDBIPX-UHFFFAOYSA-N 377.849 3.516 0 40 GHAB COc1ccccc1/C=C/c1nn2c([C@@H]3COc4ccccc4O3)nnc2s1 4384014 NCUJLUKDXQWZNK-DVQDXYAYSA-N 392.440 3.877 0 40 GHAB COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(C)cc1 8550542 RBAHFZJLIUEJDM-FQEVSTJZSA-N 377.440 3.992 0 40 GHAB CC(C)n1c(CN2CCOCC2)nc2cc(NC(=O)c3ccccc3)ccc21 65322408 NHTHBDCIIXXACE-UHFFFAOYSA-N 378.476 3.702 0 40 GHAB CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCc3ccccn3)c12 5244526 DSYLGIADTBXOGY-HNNXBMFYSA-N 380.444 3.533 0 40 GHAB CNC(=O)COC(=O)Cc1nc(-c2ccccc2)sc1-c1ccc(C)cc1 6359459 ULBSUEYATLWJAV-UHFFFAOYSA-N 380.469 3.617 0 40 GHAB COc1cc2[nH]c(C(=O)Nc3cnc4ccccc4c3)cc2c(OC)c1OC 5345439 HWGGQRVCAQZBQT-UHFFFAOYSA-N 377.400 3.994 0 40 GHAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OC(F)F 4878892 JBTYYUVLOPKYSE-OAHLLOKOSA-N 378.379 3.512 0 40 GHAB CCn1nnc2cc(C(=O)OCC(=O)Nc3c(Cl)cccc3Cl)ccc21 5805366 NUTBWOSRQOQBPW-UHFFFAOYSA-N 393.230 3.554 0 40 GHAB CCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 4984244 ZPTICASODZXYLI-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB CCn1c2ccccc2c2nnc(SCC(=O)N(C)Cc3ccsc3)nc21 7096698 KKGJYJXGTIVOKF-UHFFFAOYSA-N 397.529 3.812 0 40 GHAB O=C(CN(Cc1ccco1)Cc1ccco1)NCCc1c[nH]c2ccccc12 15448619 RZWGNTKIVOVTEU-UHFFFAOYSA-N 377.444 3.715 0 40 GHAB COc1ccc([C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)N(C)C)cc1 8778324 TVJWHHIQCOQSBD-SFHVURJKSA-N 380.410 3.676 0 40 GHAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCN(c2ccccc2Cl)CC1 7216242 SNAKNURQGRQQSB-GOSISDBHSA-N 389.952 3.887 0 40 GHAB COCCCN1C(=O)c2[nH]nc(-c3cccc(OC)c3)c2[C@@H]1c1ccccc1 15920943 JEKGWTAEIRBEEI-NRFANRHFSA-N 377.444 3.667 0 40 GHAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cnc(C)n2-c2ccccc2)c1 78903206 XBLJBVWTSHVJDJ-INIZCTEOSA-N 390.487 3.639 0 40 GHAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(Nc2ccccc2)nc1 84553465 VOOSVZTXBLRMEM-UHFFFAOYSA-N 390.468 3.903 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3cc(C)nc4c3cnn4C)sc2C)cc1 95963413 BLUHIVRVUBEAHA-UHFFFAOYSA-N 393.472 3.970 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCCC(C)C)cc2)cc1 409363794 IYCXNRVPZBMZJI-UHFFFAOYSA-N 388.533 3.891 0 40 GHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)S2)cc1 408778902 ZKIYYNHTTYEINZ-ZZODWALSSA-N 386.473 3.571 0 40 GHAB Fc1ccccc1CN1CCC[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 306136617 PYLFAUBEWBXDDF-SFHVURJKSA-N 379.483 3.848 0 40 GHAB CCOc1ccc(NC(=O)[C@H]2CSCN2C(=O)OCc2ccccc2)cc1 408736674 FEADHSGSRXIDOG-GOSISDBHSA-N 386.473 3.736 0 40 GHAB CC(C)CC(=O)N1CCC[C@](Cc2cc(-c3ccccc3F)no2)(C(=O)O)C1 72395040 FHRLDMFCTUZPPD-OAQYLSRUSA-N 388.439 3.763 0 40 GHAB CC(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)(c2ccccc2)CC1 32656913 ZRGLFTLMNAPZOP-JOCHJYFZSA-N 376.500 3.761 0 40 GHAB O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1Br 32912078 GDRRSNVRKKJLSV-INIZCTEOSA-N 391.284 3.983 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCC1=CCCCC1 217427939 AYEPPJSIUXOUES-CQSZACIVSA-N 380.510 3.764 0 40 GHAB COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)C2CCCC2)c1 72377059 ACZNNNMVCYLSGF-IBGZPJMESA-N 380.492 3.978 0 40 GHAB O=C([C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2)N1CCOCC1 72402166 IYIOTLKDOJEWCL-OAQYLSRUSA-N 396.531 3.730 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 30939103 IQFXHWLNANWETH-UHFFFAOYSA-N 383.835 3.932 0 40 GHAB CCOC(=O)COc1cccc(NC(=O)c2ccc(Br)cc2F)c1 36393980 PBSDRZKPJHGMGJ-UHFFFAOYSA-N 396.212 3.782 0 40 GHAB COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4ccn(C)n4)c23)cc1 36619314 WVLFZWZLUBUWDO-UHFFFAOYSA-N 389.415 3.762 0 40 GHAB Cc1nnc(NC(=O)C2CN(c3nc4c(C(F)(F)F)cccc4s3)C2)s1 77191803 ASEJVOGYQFLSEJ-UHFFFAOYSA-N 399.423 3.550 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1ccc(F)c(F)c1F 79481099 NNPAAEBNYYAMML-MRXNPFEDSA-N 399.394 3.596 0 40 GHAB Cc1ccc(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)c(Cl)c1 49404206 PKNAEESGCLYRAM-UHFFFAOYSA-N 387.896 3.972 0 40 GHAB CC(C)N(C)C(=O)C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 40090956 OXDXJHCTRSAJDE-RMKNXTFCSA-N 393.325 3.568 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccc(C)cc2C)[C@H](C)C(=O)NC(C)C)cc1 225534075 KTFDJFHNZYBXHV-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB CS(=O)(=O)N[C@H](CC(=O)NC1CCCCCCC1)c1ccc(Cl)cc1 225952861 RXUHEZXDWZPGIF-QGZVFWFLSA-N 386.945 3.550 0 40 GHAB Cc1cc(C)nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)n1 225997241 YXDHMHOXTBBGPV-UHFFFAOYSA-N 390.940 3.782 0 40 GHAB C[C@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NCc2ccco2)n1 225913571 PVDUOOKWVOZIHH-NSHDSACASA-N 399.442 3.954 0 40 GHAB Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1ccc(C(F)(F)F)cc1)C2 225494857 YYJMZHUGOXHEKG-SFHVURJKSA-N 379.426 3.612 0 40 GHAB biogenic,in-vitro CC1(C)Cc2cccc(OCC(=O)NC[C@H](O)c3csc4ccccc34)c2O1 225693830 ZFLWQLPFIMARIL-KRWDZBQOSA-N 397.496 3.843 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 222490683 OJNCDNRQXFNNIK-HNNXBMFYSA-N 390.936 3.904 0 40 GHAB COc1cccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@H](C)C(=O)NC(C)C)c1 225660724 MSFZHKRWCXBYGF-LJQANCHMSA-N 396.531 3.796 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCC(C)C)ccc2C)cc1 224061215 YVTRNENMBQLFHF-UHFFFAOYSA-N 390.505 3.580 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 223896580 BLBURBWMNJRLHI-HUUCEWRRSA-N 388.961 3.827 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 223151755 QZTLRTPRTFSUTO-SFHVURJKSA-N 390.936 3.986 0 40 GHAB S=C(Nc1nc(N2CCCCC2)cc(N2CCCCC2)n1)NC1CCCC1 226005357 GRUNWNVLAUAMNZ-UHFFFAOYSA-N 388.585 3.686 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccccc2)[C@@H]1c1cccc(OC)c1 257294327 QTQIBEJJUSIAGV-IRLDBZIGSA-N 380.488 3.653 0 40 GHAB COc1cccc(N2[C@H]3CCCN(C(=O)CCCc4cn[nH]c4)[C@H]3CC2(C)C)c1 257205629 AZYKVUJDHYRYGD-SFTDATJTSA-N 396.535 3.790 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 260796122 VPVIZOYKMUOLQE-ROUUACIJSA-N 382.570 3.791 0 40 GHAB Cc1ccnc2ccc(C(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)cc12 96372169 MKXVIKRGAXJYKB-UHFFFAOYSA-N 394.496 3.622 0 40 GHAB COc1ccc(CN2C(=O)N[C@@](C)(c3ccc4cc(OC)ccc4c3)C2=O)cc1 578089493 PIYXGNJXQDNQNR-QHCPKHFHSA-N 390.439 3.824 0 40 GHAB COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N(C)Cc1cn(C)nn1 585100220 JLSVWCJUQXXNAW-UHFFFAOYSA-N 399.426 3.727 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 58124064 XOGSCCWLNOPWCM-HNNXBMFYSA-N 388.309 3.598 0 40 GHAB O=C(Cn1c(=O)n2nc(-c3cccc(F)c3)nc2c2ccccc21)c1ccccc1 69321288 ZJFHAUWAVHASBV-UHFFFAOYSA-N 398.397 3.733 0 40 GHAB Cc1nn(C)cc1CCC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615160659 SFQCVYYHKRXBAX-NQIIRXRSSA-N 398.526 3.706 0 40 GHAB CC1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)CC1 5607825 DGBZQDBHPJFWRZ-GOSISDBHSA-N 377.488 3.915 0 40 GHAB O=C(C[C@H](NCCc1ccccc1)C(=O)O)Nc1cccc(Cl)c1Cl 5647052 GFULNRADMVOYRC-HNNXBMFYSA-N 381.259 3.608 0 40 GHAB O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 5736358 LRAHTUJEDXYNSW-UHFFFAOYSA-N 384.432 3.808 0 40 GHAB Cc1nccc(-c2sc(C3CCN(C(=O)c4cscn4)CC3)nc2C)n1 12186191 PFSDIYQCRWUREB-UHFFFAOYSA-N 385.518 3.693 0 40 GHAB COc1ccc(Oc2cc(NC(=O)C3CCN(C(C)=O)CC3)ccc2OC)cc1 12674233 NTXKGTCEROQYEM-UHFFFAOYSA-N 398.459 3.693 0 40 GHAB CC1CCN(c2nnc(SCC(=O)Nc3cccc(F)c3)n2C2CC2)CC1 14086620 GOFPBARRPFPVDK-UHFFFAOYSA-N 389.500 3.719 0 40 GHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](C)C3)c2)cc1 15419476 NRNQZMQEWITLGN-QGZVFWFLSA-N 386.517 3.692 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)c2ccccc2)on1 19121943 KLOBGIIWTKZEGJ-GOSISDBHSA-N 391.475 3.873 0 40 GHAB Cc1ccc([C@@H]2CN(CC(=O)N3CCC[C@@H](C)[C@H]3C)C[C@H]2c2csnn2)cc1 19211971 OKXDKRMWHYEUNX-IZBJGVDFSA-N 398.576 3.677 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cn1 19214868 NVYZNFCKIWYMAY-UHOFOFEASA-N 393.413 3.871 0 40 GHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)C2CC2)C1 19528805 FRBBNOMZTGRMPE-DEOSSOPVSA-N 394.490 3.800 0 40 GHAB COCc1c(C(=O)Nc2ccc3[nH]c(Cc4ccccc4)nc3c2)noc1C 19718603 LEBUBEVUCCQTHH-UHFFFAOYSA-N 376.416 3.849 0 40 GHAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)C[C@@H]2CCCCO2)C1 12221163 BBKKRHCVOWZRKQ-FUHWJXTLSA-N 380.492 3.628 0 40 GHAB O=C(c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl)N1CCCC1 17356425 BZSSVXQTSXSORZ-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB COc1ccc(CN2CCN(Cc3nc(-c4ccccc4C)no3)CC2)cc1F 28725097 GUHCYTXLDUOYHR-UHFFFAOYSA-N 396.466 3.511 0 40 GHAB O=C(NCCN1CCc2ccccc2C1)C1(c2ccc(Br)cc2)CC1 30317529 SBNVUTYWDUFXGE-UHFFFAOYSA-N 399.332 3.655 0 40 GHAB Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N[C@H](C)c1ccccc1 794662 NWKGZJKQFYZPLF-SECBINFHSA-N 390.203 3.850 0 40 GHAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)CSC3)cc1 4087604 ZHFFKVRJFSSMBQ-UHFFFAOYSA-N 379.441 3.909 0 40 GHAB C[C@H]1CCc2sc(NC(=O)COc3ccc(Cl)cc3)c(C(N)=O)c2C1 4075770 DKVBRNNUYYHNQO-JTQLQIEISA-N 378.881 3.643 0 40 GHAB Cc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)c(C)c1 4326923 YLCJDVLCXBGLDA-UHFFFAOYSA-N 390.472 3.534 0 40 GHAB COc1ccc2sc(N(Cc3ccccn3)C(=O)c3cc(C)n(C)n3)nc2c1 9002410 MUORPKGJGOLGSL-UHFFFAOYSA-N 393.472 3.589 0 40 GHAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1 5897348 JAHOFJCVSMMBAQ-UHFFFAOYSA-N 386.473 3.855 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2cccc(C(=O)O)c2)cc1 6563519 KRGFJIXGZPLVLU-UHFFFAOYSA-N 386.473 3.574 0 40 GHAB CC(C)CCn1c(O)c(C(=O)Nc2ccccc2C#N)c(=O)c2ccccc21 5817264 LECQULWBCZYJDR-UHFFFAOYSA-N 375.428 3.877 0 40 GHAB CCc1cccc(C)c1N1C(=O)C[C@H](SC(=S)N2CCCCC2)C1=O 13576668 REKRIRICDWJSSQ-HNNXBMFYSA-N 376.547 3.693 0 40 GHAB Cc1nc(CCNC(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)cs1 29548651 MSSOJLZPSARMGC-UHFFFAOYSA-N 385.537 3.685 0 40 GHAB COc1cccc(C(=O)NCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1 7987912 BIBLMQCNIAQWGE-QFIPXVFZSA-N 388.467 3.525 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3F)cc2)n1 2628883 VBADZMYLQYQDGX-UHFFFAOYSA-N 385.370 3.563 0 40 GHAB CC(C)N(Cc1ccccc1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O 2637123 FTDZTYLGLLFHKG-UHFFFAOYSA-N 394.496 3.786 0 40 GHAB CCc1ccc(NC(=O)c2cc(C(=O)c3cc(OC)ccc3O)coc2=N)cc1 2646472 NLLHUXKUWMBAQI-UHFFFAOYSA-N 392.411 3.519 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccccc2Cl)CC1 7990425 DVCRLFJVTYISKC-UHFFFAOYSA-N 395.890 3.739 0 40 GHAB COc1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 1359818 WZIOHWYXWURNGB-OAHLLOKOSA-N 381.407 3.904 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3cccs3)n2)o1 12052497 VBZUOBMTRGRSRC-UHFFFAOYSA-N 375.475 3.672 0 40 GHAB CC(=O)c1ccccc1OCCOC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 32776469 XLSNGTUCYMAUOD-OAQYLSRUSA-N 393.439 3.775 0 40 GHAB COc1ccc2cc(CCNC(=S)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 4225503 XZYLLIFSJAOMNE-UHFFFAOYSA-N 387.892 3.719 0 40 GHAB CCc1ccc(N2C(=O)C[C@H](c3ccc(OC)cc3OC)C3=C2COC3=O)cc1 4944716 OPMBKLFHXOPVGQ-GOSISDBHSA-N 393.439 3.598 0 40 GHAB C[C@H](NC(=O)c1cccc(C[S@](C)=O)c1)c1ccc(OC(F)(F)F)cc1 32818437 JYJXKGRCKJPSJL-GWQKEKGPSA-N 385.407 3.955 0 40 GHAB C[C@@H](NC(=O)CCNC(=O)c1ccccc1Cl)c1ccc(-n2ccnc2)cc1 10051945 JKTCJOQNBKAKBL-OAHLLOKOSA-N 396.878 3.523 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl 8413750 JTHZNOHYWFKLFK-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB CC(C)c1c(C(=O)Nc2ccc(N3CCCC3)nc2)cnn1-c1ccccn1 32912208 RUPZNFIOMZGECT-UHFFFAOYSA-N 376.464 3.638 0 40 GHAB C[C@@H](NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103130351 CQXMBIFZBHZLIH-SYQHCUMBSA-N 397.924 3.849 0 40 GHAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Br)cc1 813068 TWXJGBLSYIKULN-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3cccc(Br)c3)CC2)C1 819249 PLJRZVWOCDYMOI-OAHLLOKOSA-N 379.342 3.920 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc23)cc1OC 858536 MBLUKDOTNIPQET-UHFFFAOYSA-N 381.457 3.687 0 40 GHAB COc1cc(Br)c(CCNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 104690631 RGNCAANBYCWVOY-YDHLFZDLSA-N 396.325 3.951 0 40 GHAB CCOc1ccc(CCN2C(=O)C[C@H](Cc3ccccc3)C2=O)cc1OCC 1075281 PVBIGRMLVGEHMQ-IBGZPJMESA-N 381.472 3.644 0 40 GHAB Cc1cc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(C)o1 23761046 OKPXHRUOMIISLE-UHFFFAOYSA-N 387.789 3.926 0 40 GHAB CC(C)[C@@H](NC(=O)CN1CCCc2ccccc21)c1ccc2c(c1)OCCO2 21578301 JBRYFXLMGOBYRN-HSZRJFAPSA-N 380.488 3.724 0 40 GHAB CCCNC(=O)[C@H](C)Sc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 53841398 WPVNKKJKLYXHLH-INIZCTEOSA-N 395.532 3.953 0 40 GHAB Cc1csc(-n2c(C)cc(-c3csc(CCN4CCOC4=O)n3)c2C)n1 55049623 WOBSQCDRFCNBHN-UHFFFAOYSA-N 388.518 3.977 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)c(Br)c1 12521403 YDYPQODHNIILSJ-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccccc3)[C@@H]2C1=O 100799254 RJSQHGJCDADIRW-FHWLQOOXSA-N 384.863 3.987 0 40 GHAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 23296637 XFJSWEFRHRUXFA-HNAYVOBHSA-N 396.516 3.566 0 40 GHAB Cc1cnc([C@@H](C)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)o1 108158632 JTYLGRGAFTWYAT-CHWSQXEVSA-N 393.285 3.552 0 40 GHAB CN(CCNC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 12606473 UHHZBZHQDUYSNU-UHFFFAOYSA-N 379.485 3.867 0 40 GHAB CN(C(=O)c1cccc(NC(=O)NCC2(N(C)C)CCCC2)c1)c1ccccc1 58175639 SCFRVDBXDXSQFF-UHFFFAOYSA-N 394.519 3.959 0 40 GHAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1c2ccccc2Sc2ccccc21 3300331 BOLLYIWLWILYRE-UHFFFAOYSA-N 393.468 3.681 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)cc1Cl 3346681 WJQNYFGTODSXQZ-GFCCVEGCSA-N 389.814 3.583 0 40 GHAB CCOC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)cc1 28280961 VHEHDALIKARWGC-TZIWHRDSSA-N 387.451 3.579 0 40 GHAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2C)cc1 12735129 SHFSXIFJBILPSO-LBPRGKRZSA-N 384.461 3.705 0 40 GHAB O=C(NC1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 12896902 NTXVIRIYNLCVRS-UHFFFAOYSA-N 391.298 3.957 0 40 GHAB C[C@@H]1Oc2ccccc2N(CC(=O)N(Cc2ccco2)c2ccccc2)C1=O 12855729 YOWNBRCEZGVZHQ-INIZCTEOSA-N 376.412 3.627 0 40 GHAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2C)c1 3400402 KNNQBZKBONSBMM-CYBMUJFWSA-N 396.472 3.639 0 40 GHAB O=C(CSc1ccc(Cl)cc1)NC(=O)Nc1ccc2c(c1)OCCO2 3515027 TTXVZOHJCPFPKX-UHFFFAOYSA-N 378.837 3.552 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1 3608857 WNFJFNPSFRBQNQ-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB O=C(Nc1ccc(-c2csnn2)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 70012789 GRSFYPMGEWLBFC-CQSZACIVSA-N 398.513 3.758 0 40 GHAB CCOP(=O)(N[C@@H](c1ccccc1)c1nc2ccccc2[nH]c1=O)OCC 16994740 ZTWHWYVZPLZYIC-KRWDZBQOSA-N 387.376 3.783 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 20152787 WZOGYIXNFHFTSP-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2C)sc1C 8365508 XODYFVKVDCBKAS-LLVKDONJSA-N 391.497 3.814 0 40 GHAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)NCCCc1ccccc1 6344172 OWJXKBQZVNXUEI-UHFFFAOYSA-N 383.463 3.930 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(C(=O)OCc2ccc(F)cc2Cl)cc1 14066550 IFAIADOBTPILLR-UHFFFAOYSA-N 385.844 3.523 0 40 GHAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 6433653 YKQNCZFERMGBRT-MRXNPFEDSA-N 380.872 3.969 0 40 GHAB CCCCN1CCC(NC(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 65610174 PRSKXBQBTYVRRO-AWEZNQCLSA-N 383.330 3.597 0 40 GHAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)[nH]c2C)C1=O 14200339 RBOOHNWAHZKYPR-NRFANRHFSA-N 385.439 3.591 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 6544286 BDQFZZXSYSGGOB-HSZRJFAPSA-N 398.418 3.564 0 40 GHAB COc1cc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc(OC)c1 6639391 ANHNUCMTHHMOMW-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 8714849 HTRKOYBJNFVRKV-DGCLKSJQSA-N 376.316 3.705 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1S(=O)(=O)NC(C)C 408701017 QCBVEWWHOXBWER-UHFFFAOYSA-N 390.505 3.641 0 40 GHAB CCOc1c(Br)cc(C(=O)Nc2nnc(C3CC3)s2)cc1OC 6847654 FSFRVOSWWLOGSD-UHFFFAOYSA-N 398.282 3.838 0 40 GHAB C[C@@H](NC(=O)COc1ccccc1Cc1ccccc1)c1nnc2ccccn12 8745002 GMVVKIQDUHXPHB-QGZVFWFLSA-N 386.455 3.576 0 40 GHAB COc1ccc2c(c1)CCc1cc(C(=O)OCC(=O)N[C@@H](C)C(C)C)sc1-2 4949644 XWZREVOCPROMHY-ZDUSSCGKSA-N 387.501 3.840 0 40 GHAB CC[C@@H]1CCCCN1CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 6996506 LKFDRYBQPWAZAE-ZJSXRUAMSA-N 391.515 3.898 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1F 6942640 SYYNRMZGGWCWTM-UHFFFAOYSA-N 381.407 3.732 0 40 GHAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CNC(C)(C)C 15584437 SJYBNLRDYQTXPY-UHFFFAOYSA-N 390.505 3.927 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CSc1ccc(F)cc1 7771587 QRZZKOJNATXSNN-UHFFFAOYSA-N 396.871 3.677 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@@H](C)c2ccc(OC)c(F)c2)c1C 9076938 ZOAYNKBEHQIIHD-JSGCOSHPSA-N 390.455 3.878 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1 408588152 CQRBSJOIAHGPSX-OAHLLOKOSA-N 390.505 3.514 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)ccn3n2)cc1 9321071 LHYLNEJJUDQWIL-UHFFFAOYSA-N 392.846 3.764 0 40 GHAB O=C(COc1ccc2ccccc2c1)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 20083512 NAZVMRKYJCRHEF-COPCDDAFSA-N 376.500 3.575 0 40 GHAB O=S(=O)(NNc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1Cl 9469688 TYAKEXHYAVNTAI-UHFFFAOYSA-N 386.182 3.713 0 40 GHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1ccn(COc2ccc(F)cc2)n1 28239663 VKJHYBUZIVNHNP-UHFFFAOYSA-N 377.379 3.701 0 40 GHAB C[C@@H](OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)C(=O)NC1CCCC1 9703052 FCPBDIABNUFYEO-MRXNPFEDSA-N 394.471 3.567 0 40 GHAB Cc1ccc2nc(CNc3ccccc3C(=O)NCc3ccccc3)cc(=O)n2c1 9914579 OTKMTAFRKOWVMO-UHFFFAOYSA-N 398.466 3.545 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)c2)cc1 408711239 KVDOSQVOXBDGBE-TWOQFEAHSA-N 384.501 3.714 0 40 GHAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccccc1OC 408614552 DPFUUFKGHKMWTB-UHFFFAOYSA-N 390.439 3.886 0 40 GHAB CCc1nnsc1C(=O)N1CCC[C@H](c2ccc(Nc3ccccn3)cn2)C1 72353390 QNFWSHVLCDCKLU-AWEZNQCLSA-N 394.504 3.654 0 40 GHAB C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccnc1 408736701 FULXALRQKSDJQC-QAPCUYQASA-N 385.464 3.519 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 32902624 UIVKKRBODDBCCI-OVQGTLEDSA-N 384.524 3.922 0 40 GHAB COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 78873567 PLJXRCXRFZVUSY-UHFFFAOYSA-N 376.478 3.958 0 40 GHAB Cc1cccc(COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)c1 32910746 ZTPHGVVSVYFKIU-GOSISDBHSA-N 395.908 3.695 0 40 GHAB CCCCCN[C@@H](CC(=O)Nc1nc(-c2ccc(C)cc2)cs1)C(=O)O 72439276 OXDPDXVMRAJDPS-HNNXBMFYSA-N 375.494 3.680 0 40 GHAB C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cn2)C[C@@H](C)O1 30016180 CSICJJPFXPLSER-CHWSQXEVSA-N 377.391 3.549 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219366152 FQXBGFZKLXYZIM-KRWDZBQOSA-N 387.476 3.803 0 40 GHAB COc1cccc(-c2ccc(=O)n(CC(=O)c3ccc(Br)cc3)n2)c1 44889843 OIHMMHYNKJNYAI-UHFFFAOYSA-N 399.244 3.564 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 225030178 XZJBKYOFWFOMLD-LJQANCHMSA-N 396.531 3.798 0 40 GHAB Cc1ccccc1N(CCCC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O 222554397 RFERBKJYUBYQSH-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 225469409 KXEZRYUKZMAHLD-INIZCTEOSA-N 388.895 3.661 0 40 GHAB O=C(NCc1ccncc1)Nc1cc(Br)ccc1Br 48476542 UYVKZWHDTBDJPY-UHFFFAOYSA-N 385.059 3.928 0 40 GHAB C[C@@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NC3CC3)n2)C1 226003724 UIJHRZAMXRBCDI-OAHLLOKOSA-N 388.585 3.542 0 40 GHAB COc1ccc(CC(=O)N2CCS/C2=C/c2csc(C)n2)cc1OC 225257992 PUPJEDYDTBBGOY-VCHYOVAHSA-N 376.503 3.585 0 40 GHAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OCC 223257712 DGIFQTYKBVWHAG-UHFFFAOYSA-N 383.853 3.716 0 40 GHAB COC(=O)c1nc(NC(=O)[C@H](CCSC)n2cccc2)sc1C(C)C 575443110 JBVXSUKGURALOD-LBPRGKRZSA-N 381.523 3.788 0 40 GHAB O=C(Cn1ccc2ccc(Br)cc21)NCc1nc2ccccc2[nH]1 96116868 NEWZLFAKACEACY-UHFFFAOYSA-N 383.249 3.597 0 40 GHAB COc1cccc(CCc2nnc(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C43CC3)s2)c1 247915929 MMXYOZHQCCTOJQ-HYVNUMGLSA-N 381.501 3.873 0 40 GHAB Cc1cccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 243417432 MRRZPRPQIMMHCR-AWEZNQCLSA-N 377.271 3.971 0 40 GHAB C[C@H](CCc1ccccc1)Nc1cc(-c2c3c(nn2C)CCCC3)nc(N)n1 257261839 LIYXSCZFGXPUDL-OAHLLOKOSA-N 376.508 3.771 0 40 GHAB CN(C)c1nc([C@H]2CCCN2C(=O)c2ccc3ccccc3n2)cn2cccc12 257286911 PNPYKDAUKCYAKS-HXUWFJFHSA-N 385.471 3.926 0 40 GHAB COc1ncccc1C(=O)N1CCC(C)(c2ncc(Cc3ccccc3)o2)CC1 257338494 YXRHSKGMJWXQMN-UHFFFAOYSA-N 391.471 3.863 0 40 GHAB Cc1ncc(-c2cncc(C[C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)n1C 257241988 IANZBJDTWWHPRY-KRWDZBQOSA-N 381.524 3.547 0 40 GHAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N=c3nc[nH]n3C(C)(C)C)c12 585080743 JRYNAOVBWCQOHY-UHFFFAOYSA-N 397.527 3.639 0 40 GHAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCN(C(=O)c3ccccc3)C2)n1 257218580 DDPZNIWDDNZQDZ-INIZCTEOSA-N 379.489 3.923 0 40 GHAB Cc1cc([C@H](C)NC(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)c(C)s1 663642981 ZBKYRXUJJOUGDG-BOFPYLFWSA-N 388.537 3.862 0 40 GHAB Cc1c(Cl)cccc1C(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585112745 UWMXUKZMNJMPRV-HXUWFJFHSA-N 395.890 3.937 0 40 GHAB Cc1nnc([C@H](C)Sc2nnc(N3CCC(C)CC3)n2Cc2ccco2)o1 48189084 JWHSAEHCFHKENZ-ZDUSSCGKSA-N 388.497 3.700 0 40 GHAB CCc1noc(CS(=O)(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)n1 58379731 QXSAONKXYTUNHZ-UHFFFAOYSA-N 378.400 3.615 0 40 GHAB CC1CCN(c2ccnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)n2)CC1 1554502616 UAFCNLREDYPSNN-YESZJQIVSA-N 376.570 3.746 0 40 GHAB CN(C)S(=O)(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 5867791 CQYNQYOTNJLJRQ-UHFFFAOYSA-N 394.496 3.708 0 40 GHAB Clc1ccc(CSc2nnnn2-c2ccc3c(c2)OCO3)cc1Cl 5889890 BMMFHWUSXMNSDK-UHFFFAOYSA-N 381.244 3.990 0 40 GHAB CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12327886 ITWQTUAEYNADGC-OAQYLSRUSA-N 393.531 3.774 0 40 GHAB CC(C)CC(=O)N1CCN([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 12862498 SQCAKFZUTLZBJP-CQSZACIVSA-N 376.888 3.641 0 40 GHAB Cc1ccc(CC(=O)N2CCC[C@@H](c3nc(O)cc(-c4ccncc4)n3)C2)cc1 13227045 MHMPZIHQYATXAS-LJQANCHMSA-N 388.471 3.501 0 40 GHAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)Cc3ccncc3)CC2)C1 19019959 FSAWDPPKCZCWAS-UHFFFAOYSA-N 379.504 3.636 0 40 GHAB Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)nn2C)C1 19237364 DAPNGUIUCLZCDR-CQSZACIVSA-N 381.398 3.679 0 40 GHAB O=C(Nc1cnc(-c2ccccc2)nc1)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 653948675 CXMCZLCWDFDEMA-LSDHHAIUSA-N 380.370 3.765 0 40 GHAB O=C(Cc1ccccc1F)N1CCC[C@@H](c2ccnc(-c3cccnc3)n2)C1 12119353 HHRWARWIFHBHDB-GOSISDBHSA-N 376.435 3.626 0 40 GHAB Cc1cc(C(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)sc1C 12408001 LUEAIWQOTSFNEJ-UHFFFAOYSA-N 384.461 3.535 0 40 GHAB COc1ccc(Cl)cc1C(=O)NCc1nc(C2CCC(F)(F)CC2)no1 575605180 AQBLFKIFSIPUFT-UHFFFAOYSA-N 385.798 3.955 0 40 GHAB C[C@H]1CC(=O)Nc2c1c(NC(=O)C1(c3ccc(Cl)cc3)CCCC1)nn2C 35597804 UPVWRZTUODZPLX-LBPRGKRZSA-N 386.883 3.970 0 40 GHAB O=C(CCc1ccccc1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888866512 XVVUBPFSRVREHW-CALCHBBNSA-N 389.421 3.628 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 31722799 XTGNNDMLXSCBEJ-UHFFFAOYSA-N 397.493 3.651 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H]1CCCS(=O)(=O)CCCC(F)(F)F 953091193 KXVPRDIZQWETNC-ZDUSSCGKSA-N 387.464 3.923 0 40 GHAB COc1cc(N[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc(OC)c1OC 33040198 BCAQVLMVTJNDPO-KBXCAEBGSA-N 384.476 3.707 0 40 GHAB Cc1ccc(OCC2CCN(C(=O)c3cc(Br)cs3)CC2)nn1 1775995396 SJAOPVUSHBDGEU-UHFFFAOYSA-N 396.310 3.540 0 40 GHAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3cc(F)cc(F)c3)C2)cc1C 2037913165 XDCGXGSGCHHVFK-OAQYLSRUSA-N 375.415 3.628 0 40 GHAB O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)c1ccc(Cl)cc1 4354237 YXDJMPJMGKLCIC-UHFFFAOYSA-N 387.848 3.628 0 40 GHAB CCOc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3F)c2=O)cc1 4853261 GKAVICUYCYWCJC-UHFFFAOYSA-N 399.447 3.501 0 40 GHAB O=C(CSc1nnc2ccc(-c3ccc(F)cc3)nn12)Nc1cccc(F)c1 5168057 JPJCJFJZBVRTIV-UHFFFAOYSA-N 397.410 3.800 0 40 GHAB Cc1nn2c(nnc3c(=O)n(-c4ccc(F)c(F)c4)ccc32)c1-c1ccccc1 19818914 ZGEUNXLFPOFCJC-UHFFFAOYSA-N 389.365 3.682 0 40 GHAB CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2cccc(Cl)c2)CC1 22460202 KFOGXLJGVWEUII-KXBFYZLASA-N 391.968 3.899 0 40 GHAB COc1ccc(C(=O)N2CCS[C@@H](c3ccc4c(c3)OCO4)CC2)cc1F 219229560 QUYRHHDFKLQASN-LJQANCHMSA-N 389.448 3.883 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN(c2ccccn2)CC1 43976160 RFEBOMVMKXZLNH-UHFFFAOYSA-N 387.911 3.925 0 40 GHAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)c3cccc(OC(F)(F)F)c3)C2)n1 585340022 MIILDKWLWCPZBC-MRXNPFEDSA-N 395.381 3.676 0 40 GHAB Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC(C)CC3)c(O)n2n1 22626195 KKFIOOCFRZAMTO-OAHLLOKOSA-N 378.448 3.904 0 40 GHAB O=C(Cc1cnc(-c2ccc(F)cc2)s1)NC[C@H]1CCCN2CCCC[C@H]12 36585409 FVRBDNNBYUJKHE-VQIMIIECSA-N 387.524 3.872 0 40 GHAB biogenic C[C@H]1CN(c2ccccc2NC(=O)NCCCOCc2ccco2)C[C@@H](C)O1 40151790 IBTACHYJDSEJLZ-CALCHBBNSA-N 387.480 3.622 0 40 GHAB CCCCCOc1ccc(C(=O)N2CCN(CCc3ccncc3)CC2)cc1 20896936 SKSHDNLQENFIHU-UHFFFAOYSA-N 381.520 3.651 0 40 GHAB Cc1ccccc1-n1ncc2c(SCC(=O)Nc3ccccc3)ncnc21 1346302 VITRKBOQKGQWEM-UHFFFAOYSA-N 375.457 3.855 0 40 GHAB CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2cccc(C)c2[nH]c1=O 1346794 GRMSSTUBMXSOBK-UHFFFAOYSA-N 378.428 3.504 0 40 GHAB CCC(=O)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 1377573 RWKDNLMDJOUUSW-UHFFFAOYSA-N 398.434 3.623 0 40 GHAB CN(CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(Br)cc1 3540469 IFVBNWKCSSMWTG-UHFFFAOYSA-N 381.701 3.851 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCC1(c2ccccc2)CC1)c1ccccc1 21524342 XVWZSJKYTINMTJ-QHCPKHFHSA-N 398.506 3.876 0 40 GHAB C[C@H](NC(=O)CNc1cccc(C(=O)N(C)C)c1)c1ccc(Cl)cc1Cl 29966454 DAPWJANSPYAKOS-LBPRGKRZSA-N 394.302 3.985 0 40 GHAB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 32994810 QPXKERRFDGECSG-NSHDSACASA-N 384.785 3.794 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1cccc2c1OCCO2 55156564 TYEBDMKHLGQJPB-LBPRGKRZSA-N 376.840 3.867 0 40 GHAB Cc1c(NC(=O)c2cc(F)c(F)cc2Cl)c(=O)n(-c2ccccc2)n1C 783487 OAPVKLNQYGMJGI-UHFFFAOYSA-N 377.778 3.668 0 40 GHAB Cc1c(-c2ccccc2)nn2c(O)cc(C[C@H](C)n3nnc4ccccc43)nc12 100775827 RXYUNVMYGZNQMM-AWEZNQCLSA-N 384.443 3.959 0 40 GHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 16322409 SFCNGTXKQKARIO-GFCCVEGCSA-N 398.937 3.855 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4cccc(C)c4)CC3)no2)cc1 23237090 VNXLWNLTGFUXKH-UHFFFAOYSA-N 375.472 3.916 0 40 GHAB CC(=O)OCc1c(OC(C)=O)ccc2c(=O)c(-c3ccc(F)cc3)c(C)oc12 57312202 JDEUNUWZUYDVBU-UHFFFAOYSA-N 384.359 3.896 0 40 GHAB CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C)nc3c2nc2n3CCCCC2)c1 24831968 WMLTXRZKCHVZJE-UHFFFAOYSA-N 395.438 3.816 0 40 GHAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cccc(Cl)c1 24984198 VBSLFWNHGFLCTP-UHFFFAOYSA-N 377.853 3.740 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2)CC1 34858971 CTWLITNZDAJUKX-QGZVFWFLSA-N 375.472 3.506 0 40 GHAB CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(Br)cc1F 7961493 MIQKNSAMKKWAAS-UHFFFAOYSA-N 393.256 3.861 0 40 GHAB Cc1cc(C)c2nnc(SCC(=O)Nc3ccc(SC(F)F)cc3)n2n1 27526387 HTNATWFLBXBXGE-UHFFFAOYSA-N 395.460 3.787 0 40 GHAB O=C(Cc1ccc(Br)cc1)Nc1nnc(-c2ccncc2)s1 28304066 DEIDBPMMWWRUDV-UHFFFAOYSA-N 375.251 3.544 0 40 GHAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)NCc1ccccc1Cl 57369446 IQOYQUSNIFZETD-INIZCTEOSA-N 378.925 3.699 0 40 GHAB Cc1cc(F)ccc1-n1c(SCC(=O)NC(C)C)nc2ccsc2c1=O 57488881 IZXBHZLDKDJQEL-UHFFFAOYSA-N 391.493 3.511 0 40 GHAB CCN(C(=O)CSc1nc2ccsc2c(=O)n1CC)c1cccc(C)c1 57425000 CGHMZDFGRAXHTO-UHFFFAOYSA-N 387.530 3.932 0 40 GHAB Cc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)C(=O)c2ccccc2)cc1 26771227 JCYRTVNKBBVVME-UHFFFAOYSA-N 386.451 3.672 0 40 GHAB CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1)S(=O)(=O)CC 113971556 IDAATYGRDIDZKO-QGZVFWFLSA-N 388.533 3.970 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCCC(=O)N3CCCC3)c3ccccc3n2)o1 7985679 QZOLDCKDQBGJTD-UHFFFAOYSA-N 377.444 3.546 0 40 GHAB C[C@@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 3371101 JPKRVODXZOTNLL-SNVBAGLBSA-N 396.226 3.584 0 40 GHAB CCCCOc1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 27664145 PLMBVYLXZSMRCS-UHFFFAOYSA-N 379.460 3.916 0 40 GHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1oc2ccccc2c1C 3353215 UEKKOWXAVRJHFI-UHFFFAOYSA-N 394.427 3.613 0 40 GHAB Cc1ccccc1SCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 36392228 HHFOTCZBFGCMLM-UHFFFAOYSA-N 396.556 3.827 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 12796091 CMGODFTVNMFWDR-NSHDSACASA-N 379.243 3.994 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)COc3cccc(C(F)(F)F)c3)ccc21 12773444 SBDAJDVCRBGBBL-UHFFFAOYSA-N 378.350 3.632 0 40 GHAB COc1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1C(=O)O 12775489 KIKUWAQYTHVZKC-ZDUSSCGKSA-N 392.455 3.930 0 40 GHAB COc1ccc(N2CCCN=C2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 28527682 SCAQAKMMKHBHCI-UHFFFAOYSA-N 378.259 3.998 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)Nc3cnc4c(cnn4C(C)C)c3)CC2=O)cc1 12808243 SYAVBELPUWXFAH-QGZVFWFLSA-N 391.475 3.566 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 12819549 DMOLEYABUFZKDV-OAHLLOKOSA-N 381.906 3.710 0 40 GHAB COCCn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccccc21 3499209 QTDAIRUTFVKROV-UHFFFAOYSA-N 389.908 3.745 0 40 GHAB Cc1ccc(C(=O)NCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1C 8279680 YHPPSQMDMKNWFC-HNNXBMFYSA-N 381.501 3.863 0 40 GHAB Cc1ccn2c(NC(=O)CCNC(=O)c3ccco3)c(-c3ccccc3)nc2c1 8229786 TYQTZWWRQMMWRJ-UHFFFAOYSA-N 388.427 3.661 0 40 GHAB O=C(Nc1cccnc1Cl)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 18173572 ZVSXGPZFLHYFCX-GJZGRUSLSA-N 383.835 3.667 0 40 GHAB COCCCNC(=O)CCc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4 4089735 KLDBCQLUSJHRLA-UHFFFAOYSA-N 397.471 3.812 0 40 GHAB biogenic CCC(CC)COC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12 5047329 UEVXEYXUGUEYRU-UHFFFAOYSA-N 384.480 3.796 0 40 GHAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc(C(=O)Nc3ccccc3)cc1)C2=O 4308730 QJJYQTYBOAKKQH-HJPURHCSSA-N 391.471 3.940 0 40 GHAB O=C(NCCc1ccccc1F)/C(=C/c1ccco1)NC(=O)c1ccccc1 6222716 GOMIZIIMVGLZTB-HKWRFOASSA-N 378.403 3.549 0 40 GHAB CC[C@@H](C)NC(=O)COC(=O)c1cc2c(C)nn(Cc3ccc(C)cc3)c2s1 6397183 QLHICEKAYJUHOQ-CQSZACIVSA-N 399.516 3.834 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 20029809 QFOSXTLVTDHHHQ-UHFFFAOYSA-N 379.331 3.663 0 40 GHAB COc1ccccc1/C=C\C=c1/sc2nc(-c3cccc(Cl)c3)nn2c1=O 6452637 VSVQINRSMLVCBJ-UNLGUSMZSA-N 395.871 3.693 0 40 GHAB O=C(c1c[nH]c2ccccc12)[C@@H](NCCC(=O)N1CCCC1)c1ccccc1 14121569 IUHNHGHUYYDKKK-QFIPXVFZSA-N 375.472 3.694 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)Cn1nc(-c2ccccc2)[nH]c1=S 14187238 CXPZGCWCXMJCDR-UHFFFAOYSA-N 390.516 3.942 0 40 GHAB O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5439391 XHXWECZJORMMFF-UHFFFAOYSA-N 382.844 3.661 0 40 GHAB COc1ccc(NC(=O)[C@H](Sc2n[nH]c(N)n2)c2ccccc2)cc1Cl 6605813 BTRXRHSMXDDDDG-CQSZACIVSA-N 389.868 3.521 0 40 GHAB COc1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 4739667 QEEPLWAQXUZMSO-KGENOOAVSA-N 387.439 3.887 0 40 GHAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 5606501 JYKGRIOCQBEBSI-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB Fc1cccc(-n2nnnc2SCCOc2ccc(Br)cc2)c1 5795829 WPSDQENOEWRWCK-UHFFFAOYSA-N 395.257 3.735 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 17304290 CEVHPCOJLXFIGJ-UHFFFAOYSA-N 392.440 3.616 0 40 GHAB Cc1ccc(C)c(OCCC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 15095501 ARQSWYYDCZGTQF-GOSISDBHSA-N 378.476 3.873 0 40 GHAB Clc1ccc(-n2ncc3c2ncn2c([C@@H]4CCCO4)nnc32)cc1Cl 6925882 FDXGDIHGUKZMPD-ZDUSSCGKSA-N 375.219 3.622 0 40 GHAB Cn1cc(CNC[C@@H](O)c2ccc(F)c(F)c2)c(-c2cc3ccccc3o2)n1 67185836 SINSUYJNXQJHIL-GOSISDBHSA-N 383.398 3.935 0 40 GHAB COc1ccc(Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)cc1 67258049 PIRJRPGRHBSHIN-UHFFFAOYSA-N 378.453 3.579 0 40 GHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 7306429 MSOSDKBZGBXBNJ-SNVBAGLBSA-N 386.757 3.939 0 40 GHAB O=C1CC[C@@H](Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)C1 8750582 XSMAWMCXZCMGTH-QGZVFWFLSA-N 393.468 3.936 0 40 GHAB COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccsc5)no4)c3CO2)cc1 97077948 MTXPGYBKSANICT-INIZCTEOSA-N 380.429 3.942 0 40 GHAB CCCn1c(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)nc2ccccc21 9338139 JZJZJUKTCFJYBG-INIZCTEOSA-N 382.489 3.751 0 40 GHAB COc1c(C(=O)Nc2ccccc2C(N)=O)cc2ccccc2c1Br 9427043 RVOBSPULRFEQIJ-UHFFFAOYSA-N 399.244 3.962 0 40 GHAB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(C(=O)N2CCCCCC2)CC1 9501271 FEEUSTYVZQTIOK-GOSISDBHSA-N 397.563 3.617 0 40 GHAB COc1cc(OC)c(NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)cc1Cl 72306879 FPHKIJWKOWJASE-UHFFFAOYSA-N 384.860 3.553 0 40 GHAB O=C(Nc1ccc(-c2ccccc2)cn1)c1cccc(N2CCCS2(=O)=O)c1 84562687 VPQPTTNYDWQNTF-UHFFFAOYSA-N 393.468 3.541 0 40 GHAB COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(C)cc4C)CC3)[nH]n2)cc1 98212536 LZDLKPUBSPALTM-UHFFFAOYSA-N 390.487 3.665 0 40 GHAB Cc1nc([C@H]2CCCN(C(=O)CCc3cccc(OC4CCCC4)c3)C2)n[nH]1 95966353 VBUHJLOVYLVLBJ-SFHVURJKSA-N 382.508 3.773 0 40 GHAB CCN(C)c1ccccc1NC(=O)NCc1ccc(Cn2ccccc2=O)cc1 95958302 GXPLZQSCAALFCR-UHFFFAOYSA-N 390.487 3.674 0 40 GHAB CN(Cc1ccccc1NC(=O)c1n[nH]c(=O)c2ccccc12)C1CCCCC1 32904217 UZZMJSLMBBPXCW-UHFFFAOYSA-N 390.487 3.940 0 40 GHAB Fc1cc(N2CC[C@@H](NC3CCN(Cc4ccccn4)CC3)C2)ccc1Cl 552577622 AJBWCOWWGLOEON-GOSISDBHSA-N 388.918 3.707 0 40 GHAB O=C(c1ccncc1)N1CCC[C@@H](c2cncc(Oc3cccc(F)c3)n2)C1 72362118 YTJBQTDHIJNDKW-MRXNPFEDSA-N 378.407 3.823 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 39757690 BJCGCMMVSIUFMT-UHFFFAOYSA-N 393.531 3.986 0 40 GHAB COc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3coc(C)n3)C2)cc1 72363253 WAPMIKIZOZDPKT-OAHLLOKOSA-N 394.431 3.594 0 40 GHAB COc1cc(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc(OC)c1OC 219027723 ICMKKXVBXARQGP-OAHLLOKOSA-N 395.455 3.949 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 35289541 ATRYBFUBRKEEOD-UHFFFAOYSA-N 381.866 3.668 0 40 GHAB O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)N1CCCC1 35289517 NCESTMGIKKFIFR-UHFFFAOYSA-N 399.907 3.697 0 40 GHAB O=C(Cc1csc(-c2cccs2)n1)Oc1ccc(N2CCOC2=O)cc1 40119331 MRCDEDOAGQYDNF-UHFFFAOYSA-N 386.454 3.976 0 40 GHAB CNC(=O)c1ccc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 47389285 ONDJYFGKJRDUKW-UHFFFAOYSA-N 382.851 3.771 0 40 GHAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3nccn3C)C2)n1 72356222 MGUXFAGSNNOPLF-IBGZPJMESA-N 392.478 3.873 0 40 GHAB O=C(CCN1C(=O)COc2ccccc21)Nc1cccc(OC2CCCC2)c1 40060394 INYZQROCFPJWQG-UHFFFAOYSA-N 380.444 3.762 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(-n4ccnc4C)cc3)cc2)n1 225288985 ORXHWIIVTGNOMB-UHFFFAOYSA-N 399.498 3.972 0 40 GHAB COc1cc(CN(C)C(=O)c2conc2-c2ccccc2)cc(OC)c1OC 225869388 QFZHXEPOOPYWKA-UHFFFAOYSA-N 382.416 3.640 0 40 GHAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2cc(Cl)cc(Cl)c2)c1=O 225969306 JDXUPZUQOMFDMG-UHFFFAOYSA-N 397.258 3.945 0 40 GHAB COc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(F)cc2)n1 225946988 PVKXOWWOZGOZOQ-UHFFFAOYSA-N 384.436 3.903 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(C)c(C)c1 225682356 NRKRSELXJGVBHD-INIZCTEOSA-N 390.530 3.646 0 40 GHAB Cc1cccc(CC2CN(C(=O)NCC3(c4ccccc4)CCOCC3)C2)c1 84432064 QEOQSUKIIJADML-UHFFFAOYSA-N 378.516 3.927 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C 224665875 JUEXAMTVSLKXJW-IBGZPJMESA-N 382.504 3.626 0 40 GHAB CCOC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 224687394 UDVHTOOOKVSXBN-UHFFFAOYSA-N 381.881 3.715 0 40 GHAB COc1cc(C(=O)Nc2nnc(SCC(C)C)s2)cc(OC)c1OC 224883823 ANMRJZMFTVMFSP-UHFFFAOYSA-N 383.495 3.564 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OC)cc1 222797840 QBLYCBUJEAVIPH-WOJBJXKFSA-N 378.501 3.873 0 40 GHAB CN(c1ccc(CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(C)(=O)=O 225977248 ONPLRMDRWBJCJF-UHFFFAOYSA-N 387.288 3.570 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cc(Cl)ccc1Cl 243762205 QCLDZDFXHIPHBF-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB O=C(Cc1cccc(F)c1)N1CCC2(CC1)OCC[C@@H]2CCOCC1CC1 247878879 UVRAHLORGGUENQ-IBGZPJMESA-N 375.484 3.583 0 40 GHAB COc1cccc2c1OC1(CCN(Cc3cnc(C)nc3)CC1)[C@H]1CCCO[C@H]21 257279470 OGVBEQNCZOJFIJ-PZJWPPBQSA-N 395.503 3.689 0 40 GHAB CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)CN1CCCCCC1 257277974 OAFFBCSYYGXLGE-RJGXRXQPSA-N 397.563 3.606 0 40 GHAB O=C(c1cnc2ccccc2c1)N1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257303742 SIMSKBXDJYHOAO-MRXNPFEDSA-N 398.470 3.510 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1 260842694 RCYOYYCYLYUXNH-LPHOPBHVSA-N 398.569 3.572 0 40 GHAB CO[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)C1 626375373 ROWWNUAEEVSYAR-NJDAHSKKSA-N 393.487 3.963 0 40 GHAB COC(=O)[C@H](NC(=O)[C@H](C)c1ccccc1C(F)(F)F)c1ccccc1F 610692644 HKKRUKLSYMPALR-BDJLRTHQSA-N 383.341 3.979 0 40 GHAB O=C(Nc1ncccc1-c1ccccc1)[C@H](C[C@H]1COCCO1)C(F)(F)F 622835890 GJHDOXSKKPUMEY-HOCLYGCPSA-N 380.366 3.671 0 40 GHAB Cc1nc(NC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)sc1Cc1ccc(F)cc1 626565538 UDBKLXPITIVMJR-YSVLISHTSA-N 375.469 3.559 0 40 GHAB O=C(N[C@H](c1ccc(F)cc1)c1ncc[nH]1)c1ccc(N2CCCCCC2)nc1 628773713 MUDYASYQFWBGBQ-HXUWFJFHSA-N 393.466 3.844 0 40 GHAB Cc1nccc(C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)n1 681707406 DSDHPSNCUODPKW-MRXNPFEDSA-N 378.245 3.958 0 40 GHAB COc1cccc(Cn2ccc3ccc(NC(=O)[C@@H]4CCCN(C)C4=O)cc32)c1 577585709 HHRLYPFVDPEUDC-FQEVSTJZSA-N 391.471 3.505 0 40 GHAB Cc1cccc(C)c1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 11612682 JLXAPACUUNLNKA-SFHVURJKSA-N 386.517 3.875 0 40 GHAB O=C(NCc1ccccc1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 12115754 FDAGGJSHLGXSJH-GOSISDBHSA-N 379.439 3.581 0 40 GHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ncoc2-c2cccs2)c1 12338285 ZILXHSFRIZXRDH-UHFFFAOYSA-N 396.472 3.745 0 40 GHAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1 12775348 AZRRUWXVKWGIGE-UHFFFAOYSA-N 394.515 3.610 0 40 GHAB CCOc1ccc(NC(=O)C[C@@H]2SC(Nc3ccc(OC)cc3)=NC2=O)cc1 12786549 WMZIMONWLCCYSI-KRWDZBQOSA-N 399.472 3.533 0 40 GHAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl 13996550 ZCMQMPSQRPCETP-UHFFFAOYSA-N 379.243 3.718 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)/C=C/c3ccccc3)sc2c1 16321448 DHMNUJHLEPIDSW-JXMROGBWSA-N 396.497 3.781 0 40 GHAB Cc1ccccc1Nc1nc(N2CCN(C)CC2)nc2c1cnn2-c1ccccc1 17136010 SBBAOSJCZAEIKC-UHFFFAOYSA-N 399.502 3.619 0 40 GHAB COc1ccc2[nH]cc(-c3csc(NC(=O)c4ccc(C)n(C)c4=O)n3)c2c1 19131889 KWMQRRMIXXYRLO-UHFFFAOYSA-N 394.456 3.559 0 40 GHAB Cc1ncc(CNC(=O)Cc2ccc(F)cc2)c(-c2cn(C)c3ccccc23)n1 19287161 NGKKCDRSMWCNRO-UHFFFAOYSA-N 388.446 3.942 0 40 GHAB COc1ccccc1CN1CCCC[C@@H]1c1cc(O)nc(-c2ccccn2)n1 19570401 WLWOVSAWFOVHSB-LJQANCHMSA-N 376.460 3.980 0 40 GHAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C2CCCC2)n1 19697373 VWDMOOHQBJTBOO-HNNXBMFYSA-N 397.498 3.552 0 40 GHAB Cc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 19946256 BDAZVSIMECPCPC-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB O=C(Nc1cc(F)ccc1F)N1CCC[C@H](c2nc(-c3ccncc3)no2)C1 1888906765 ORGYUPCCDSTTNC-ZDUSSCGKSA-N 385.374 3.821 0 40 GHAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)c2cccc3c2OCCO3)C1 1889278294 ZZZUZSSJEGRHLK-UHFFFAOYSA-N 391.471 3.802 0 40 GHAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@@H](c1ccccc1)N1CCOCC1 23761891 QGJXJXQCLPMZSU-BEFAXECRSA-N 392.421 3.897 0 40 GHAB C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](c1ccccc1)N1CCOCC1 23761887 QGJXJXQCLPMZSU-HNAYVOBHSA-N 392.421 3.897 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCCC1 793054 KYYGWNUVFSBGOM-UHFFFAOYSA-N 390.480 3.951 0 40 GHAB Cc1cccc(-c2nsc(SCC(=O)Nc3ccc4c(c3)OCO4)n2)c1 2917540 FEQIVHMIQBNQLA-UHFFFAOYSA-N 385.470 3.973 0 40 GHAB C[C@@H](c1ccc(F)cc1)n1c(CCn2ncc3ccccc3c2=O)n[nH]c1=S 4511360 FNYSWUGDFNCACH-ZDUSSCGKSA-N 395.463 3.642 0 40 GHAB CCN(CC)C(=O)Cn1cc(SCC(=O)NCc2ccco2)c2ccccc21 6867071 IGRIHDCQZBNNDZ-UHFFFAOYSA-N 399.516 3.511 0 40 GHAB CN1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(Cl)cc2)CC1 30828899 AMESBWIPGXVSNJ-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB O=C1[C@H]2[C@@H]3C[C@H]([C@H]4C(c5ccc(Cl)cc5)=NO[C@H]34)[C@H]2C(=O)N1c1ccccc1 100204733 MAAYCDPIHURLKL-HHVJRXKPSA-N 392.842 3.515 0 40 GHAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)c1cccc(C(F)(F)F)c1 35592966 RBLRSZGVFGIHRG-LJQANCHMSA-N 392.421 3.899 0 40 GHAB Cc1nccc(O[C@H]2CCCN(C(=O)c3csc(-c4ccccc4)n3)C2)n1 575609868 RCFKQDKQSMUXQR-INIZCTEOSA-N 380.473 3.592 0 40 GHAB COc1cc2cc(N)c(C3CCN(C(=O)C4CCCC4)CC3)nc2cc1OC 12230860 FEESIVXSNLYTSB-UHFFFAOYSA-N 383.492 3.730 0 40 GHAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2c2nc(C)nn12 105422066 LYWRSSAIBPNSJK-GFCCVEGCSA-N 393.472 3.714 0 40 GHAB O=C(c1ccccc1NS(=O)(=O)Cc1ccccc1Cl)N1CCCCC1 645915 QPANMRKQSFRFCJ-UHFFFAOYSA-N 392.908 3.908 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C)cc1 40484586 HIUWQVKMBQJKBS-HXUWFJFHSA-N 389.459 3.913 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)o1 51276540 TYSBKNPCPOUASL-CQSZACIVSA-N 375.494 3.623 0 40 GHAB COc1cccc(OCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1 11667191 HZRVGGIOEATKGM-UHFFFAOYSA-N 391.427 3.647 0 40 GHAB Cc1cnc2c(S(=O)(=O)NCc3ccccc3CN3CCCC3)cccc2c1 29349821 RBDFDMHZBVWPQK-UHFFFAOYSA-N 395.528 3.618 0 40 GHAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3c(C)nn(C)c3C)n2)cc1 7764408 GVWWXLHSHRCZSJ-CYBMUJFWSA-N 384.509 3.504 0 40 GHAB CCC(=O)Nc1ccc(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 8631723 XWMNUMMMLHGLON-UHFFFAOYSA-N 386.757 3.752 0 40 GHAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)[C@@H]3CCCO3)c(=O)[nH]c2c1 790326 URDZXJUJRNOBGC-NRFANRHFSA-N 376.456 3.544 0 40 GHAB O=C(NO[C@@H]1CCCCO1)c1csc(-c2cc(Br)cs2)n1 60333359 RZNWVDCUGLZBMR-LLVKDONJSA-N 389.296 3.822 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(C)c2)cc1OC 1343059 MKWDGIFLGOAIOU-KRWDZBQOSA-N 383.448 3.647 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)N4CCCC[C@H]4C)ncnc32)cc1C 1346405 HDYJBAWOPWVCJF-MRXNPFEDSA-N 395.532 3.925 0 40 GHAB Cc1ccc(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 2621627 JVPKQUANILERTP-LJQANCHMSA-N 378.403 3.933 0 40 GHAB O=C(COC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccc(F)cc1 6238153 SYAFPLWCSPVFOM-UHFFFAOYSA-N 389.386 3.658 0 40 GHAB COc1cc2c(cc1NC(=O)[C@@H]1CS[C@]3(C)CCC(=O)N13)oc1ccccc12 6945702 VRJOQLCNKQSRKM-YCRPNKLZSA-N 396.468 3.987 0 40 GHAB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCC3)cc2)cc1 6950392 UACBWSNKYOHSFN-NBVRZTHBSA-N 375.428 3.619 0 40 GHAB COc1ccc(/C=C/C(=O)NCCSCc2ccccc2F)cc1OC 7637845 WTQDXUFYHHGQGO-CSKARUKUSA-N 375.465 3.906 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 7724545 MLKQDRXDTLOHLH-SOFGYWHQSA-N 385.851 3.919 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 7882056 WDXITKGRSOVNTI-LPHOPBHVSA-N 394.471 3.802 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(F)cc3F)n2)cc1OC 7951401 MFERPHLYDXZJIZ-UHFFFAOYSA-N 389.358 3.603 0 40 GHAB COc1cccc(NC(=O)CSc2nc(-c3ccco3)nc(C)c2C(C)=O)c1 32902131 REGQXBPHJWUSKV-UHFFFAOYSA-N 397.456 3.987 0 40 GHAB CC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2cccc(C)c2C)CC1 57670550 ZQVVSGQIDKSQTP-NRFANRHFSA-N 390.535 3.612 0 40 GHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H]3C)ccc2Cl)cc1 33026194 SMLXCGDRFIWYLD-XHDPSFHLSA-N 394.880 3.744 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2sc(-c3ccsc3)nc2C)CC1 21970680 OHUPKAFZNZQEPU-UHFFFAOYSA-N 379.507 3.531 0 40 GHAB CNS(=O)(=O)c1ccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1 102443477 PYFNZWLQUAVPPC-VWQZVHOKSA-N 376.522 3.530 0 40 GHAB COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(=O)O)cc1 627683 UPBLVUJDXARXED-UHFFFAOYSA-N 390.395 3.898 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 940449 OLDZJJZGNVJIEE-GOSISDBHSA-N 395.850 3.868 0 40 GHAB Cc1nc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)sc1-c1ccccn1 23502898 SJIRZPMGLBWWCN-CYBMUJFWSA-N 382.420 3.717 0 40 GHAB Cc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)c(C)c1 1288465 NWPIQOOLXJHLKP-UHFFFAOYSA-N 384.487 3.759 0 40 GHAB O=c1[nH]c(CN2CCN(c3cccc(Cl)c3)CC2)nc2ccc(Cl)cc12 12527427 WOTTYAOMRZUAPQ-UHFFFAOYSA-N 389.286 3.552 0 40 GHAB O=C(C[C@@H]1C=CCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 25043402 OENMKMUMRPWFLP-CQSZACIVSA-N 382.913 3.809 0 40 GHAB CCN(c1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1)S(C)(=O)=O 10008621 RJDQNQZOELGZRO-UHFFFAOYSA-N 376.478 3.512 0 40 GHAB CCc1ccc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)cc1 10119826 FBBFBLPOVISXFT-UHFFFAOYSA-N 379.445 3.676 0 40 GHAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCC(C)C)cc3C[C@H]2C)cc1 10326412 LCNNSTANIYYMCR-MRXNPFEDSA-N 386.517 3.521 0 40 GHAB C[C@H]1CCC[C@@H](N2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@@H]2C)C1 10587794 SNIZDVPEJYDTHR-CMKODMSKSA-N 390.535 3.905 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nc(C)no3)cc2)c1C 22829759 UZJFGXNZJGDLCF-CYBMUJFWSA-N 395.415 3.621 0 40 GHAB S=c1n(CN2CCN(c3cccc(Cl)c3)CC2)nc2n1CCCCC2 57395049 SDKXTWLAVRHZQU-UHFFFAOYSA-N 377.945 3.574 0 40 GHAB O=C(/C=C/c1ccccc1)Nc1ccc(N2CCOCC2)c(Br)c1 20611592 LCAXASXCXUTWFI-RMKNXTFCSA-N 387.277 3.938 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)CCc3nc(-c4cccs4)no3)ccc12 57679753 ASHGBTLZXNDLQS-UHFFFAOYSA-N 381.413 3.784 0 40 GHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\SC(=O)N(c2ccccc2)C1=O 408818200 ZRDAKJWYCUNWJR-WISAJEAXSA-N 377.425 3.809 0 40 GHAB Cc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 113955251 QVNUWWITYJKCLR-INIZCTEOSA-N 392.496 3.558 0 40 GHAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(Cl)cc1Cl 2247412 IHXBUPHBLFXUTA-AMIZOPFISA-N 385.272 3.815 0 40 GHAB O=C(NCc1nnc2ccccn12)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 36396807 XEUONFRHWJIIAF-CABCVRRESA-N 389.484 3.705 0 40 GHAB O=C(NCc1ccc(OC(F)F)cc1)[C@H](c1ccccc1)N1CCSCC1 48302831 JNIVXXIBJPGTBC-SFHVURJKSA-N 392.471 3.694 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnnn2C2CCCCC2)c1C 12801847 UIVRLQAHKISVGU-ZDUSSCGKSA-N 375.498 3.689 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(-c2ccc(F)cc2)oc1=O 12812863 SNOFIESXTFKMHG-LLVKDONJSA-N 375.787 3.804 0 40 GHAB COc1ccc(Br)cc1CN(C)C(=O)COc1cccc(C)c1 3454271 AJSXRAWHEHFBJS-UHFFFAOYSA-N 378.266 3.804 0 40 GHAB N#CCCn1cc(C(=O)OCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 3415884 SQCZACBYLQMCPD-UHFFFAOYSA-N 376.372 3.729 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)o2)cc1 8298846 YEFNGAWHSVOVQA-UHFFFAOYSA-N 397.456 3.602 0 40 GHAB Cc1csc(=O)n1CCC(=O)OCc1csc(-c2ccc(F)cc2)n1 8395324 BCLQXUIEXBNUOT-UHFFFAOYSA-N 378.450 3.614 0 40 GHAB COc1ccc([C@H](CNC(=O)Cc2c[nH]c3ccccc23)N2CCCC2)cc1 8327423 HELUMCCLJVMRBM-QFIPXVFZSA-N 377.488 3.672 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CN3CCC(Cc4ccccc4)CC3)n2)cc1 4168468 YLFQRIAJDAGQSL-UHFFFAOYSA-N 388.519 3.961 0 40 GHAB COc1ccc(NC(=O)CSc2nnnn2-c2ccc(C(C)C)cc2)cc1 5015295 DVKYEKXSIXWJFN-UHFFFAOYSA-N 383.477 3.525 0 40 GHAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 5134985 MMGUJFCTJSJBJZ-UHFFFAOYSA-N 383.853 3.773 0 40 GHAB CCCCN1C(=O)CC[C@H](C(=O)NCc2ccco2)[C@@H]1c1ccc(OC)cc1 8429037 CMRPEOXBNXOTQM-FPOVZHCZSA-N 384.476 3.684 0 40 GHAB O=C1[C@@H]2[C@@H](N=NN2Cc2c(F)cccc2Cl)C(=O)N1c1ccc(Cl)cc1 4483747 DNBUATFXBNGHIX-CABCVRRESA-N 393.205 3.626 0 40 GHAB O=C(NCc1ccccc1CN1CCCCC1)c1cccnc1N1CCCC1 14235306 UPFIRNNLVHPUIE-UHFFFAOYSA-N 378.520 3.598 0 40 GHAB CCc1cccc(NC(=O)COc2cccc(I)c2)c1 5452898 BJSYXKRNYRDTCQ-UHFFFAOYSA-N 381.213 3.871 0 40 GHAB CC(C)c1ccc(-n2nnnc2SCC(=O)N2c3ccccc3C[C@H]2C)cc1 5492485 OLRGTTCNKQQSBV-OAHLLOKOSA-N 393.516 3.856 0 40 GHAB COc1ccccc1N1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 6830402 LGXHXHXCYHNFSV-UHFFFAOYSA-N 379.287 3.893 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccs2)N1Cc1cccnc1 8845473 DCMBMBATYFZIKD-FQEVSTJZSA-N 388.452 3.984 0 40 GHAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 4988768 ZEBKIWPPYDAPIY-QRWLVFNGSA-N 384.428 3.681 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)NC2CCCC2)nc2ccsc2c1=O 67209075 VTWJKIMAIYFKMP-UHFFFAOYSA-N 399.541 3.907 0 40 GHAB COc1ccc2c(CC(=O)OCC(=O)Nc3ccc4c(c3)CCC4)coc2c1 7006672 PTEIFVSGMLJVTG-UHFFFAOYSA-N 379.412 3.655 0 40 GHAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccc2c(c1)OCO2 8762024 DDDRMLCOQFQCRL-UHFFFAOYSA-N 384.819 3.973 0 40 GHAB COC(=O)c1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 15578339 MANUBHNFQIKKAX-UHFFFAOYSA-N 384.432 3.750 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1OC(F)F 15993768 OFZVMYQDFGONPR-UHFFFAOYSA-N 389.807 3.744 0 40 GHAB CCc1ccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 113966189 OUGYMALDEKADEC-UHFFFAOYSA-N 396.459 3.712 0 40 GHAB CC[C@@H](C)[C@@H](C(=O)Nc1nc2ccccc2s1)N1C(=O)c2ccccc2C1=O 9009525 KXJFMNCKOOEVRA-PXAZEXFGSA-N 393.468 3.946 0 40 GHAB O=C(CCCc1nnc2ccccn12)N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 96118116 NIIMOFAXJPMUTO-GOSISDBHSA-N 391.450 3.866 0 40 GHAB CCN(CC)CCNC(=O)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 19793977 FDESWHHGKDFPOV-UHFFFAOYSA-N 390.487 3.588 0 40 GHAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1c[nH]nc1-c1ccccn1 97117220 IMIKPCYBBRNNPN-UHFFFAOYSA-N 383.260 3.720 0 40 GHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c1 408584369 OUVJVMZFFAFSQY-UHFFFAOYSA-N 375.494 3.882 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 408560190 CLPLMGGIDAJRAK-UHFFFAOYSA-N 375.494 3.978 0 40 GHAB O=C([C@H]1COc2ccccc2O1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 32594233 MBCURHADQURWIL-FXAWDEMLSA-N 387.863 3.688 0 40 GHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)NCc1ccc(F)cc1Cl 72330069 JQWYNQRAOYQVBR-UHFFFAOYSA-N 389.732 3.971 0 40 GHAB CC1(C)C[C@@H](c2nc(-c3ccc(N4CCOCC4)nc3)no2)c2ccccc2O1 557353768 TVLCTCJDVCLMRP-QGZVFWFLSA-N 392.459 3.661 0 40 GHAB COC(=O)c1cccc(-c2ccc(/C=C(\Sc3nnc(C)o3)C(=O)O)o2)c1 211527257 JZIBXZFNBHXNEM-DHDCSXOGSA-N 386.385 3.642 0 40 GHAB O=C(O)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1NCc1ccco1 217583476 RMTBEFUAAUKALK-UHFFFAOYSA-N 392.477 3.591 0 40 GHAB CCCc1cc(=O)[nH]c(SCc2nc(-c3ccc(OC(C)C)cc3)no2)n1 44168960 CBZGOPXFIDAIKM-UHFFFAOYSA-N 386.477 3.852 0 40 GHAB C[C@H]1CN(Cc2csc(NC(=O)/C=C/c3ccccc3F)n2)C[C@H](C)O1 40040105 DEISOAPRHQEXQD-SWICKSTGSA-N 375.469 3.543 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 222992170 IKMVNDWSAJWJNF-LJQANCHMSA-N 382.504 3.707 0 40 GHAB CCCc1ccc(OCCNS(=O)(=O)c2ccc(Br)cc2)cc1 223975320 XXCHUFDPTYWXSI-UHFFFAOYSA-N 398.322 3.759 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 223094577 ZNQOMILOJCCBBE-OAQYLSRUSA-N 396.531 3.852 0 40 GHAB COc1ccc(OC)c(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 224931729 GQGZZRWPWJMIOR-UHFFFAOYSA-N 376.261 3.836 0 40 GHAB O=C(C[C@H]1CC2(CCN(Cc3ccccn3)CC2)Oc2ccccc21)NC1CC1 96053433 LABPRZYCFGZWBJ-SFHVURJKSA-N 391.515 3.651 0 40 GHAB O=C(NCCc1ccncc1)c1csc(Nc2cccc3ncccc23)n1 95478680 XBTIRCPFMGSVCU-UHFFFAOYSA-N 375.457 3.802 0 40 GHAB Cc1cc(C(=O)N2CCC3(CC2)CN(C)C[C@H]3COCC2CC2)sc1C 248092807 WAQCPIUIHVHIMI-SFHVURJKSA-N 376.566 3.576 0 40 GHAB COc1cccc(C(=O)N2CCC[C@H]2c2cncc(-c3c(C)noc3C)n2)c1 257302926 SFAGJIDUJZGIDP-IBGZPJMESA-N 378.432 3.734 0 40 GHAB C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(C(=O)CN2CCCCC2)C1 257275499 NPRAYKKQAWTIAH-HSZRJFAPSA-N 399.510 3.771 0 40 GHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(Cc1ccncc1)C3 257337566 YTILOZMFOAJRNH-AZUAARDMSA-N 380.488 3.841 0 40 GHAB COc1ccc2oc([C@@H](C)NC(=O)c3ccnc(NC(=O)C4CC4)c3)c(C)c2c1 585081648 ACKFKQXXWLHTFD-CYBMUJFWSA-N 393.443 3.984 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)c1csc(-c2ccccc2)n1 253395345 BVKPVPGGDGZHMI-KRWDZBQOSA-N 399.541 3.923 0 40 GHAB C[C@H]1CN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C[C@H](C)C1(F)F 585123193 LRKMHFABAGXIAL-IRXDYDNUSA-N 395.494 3.594 0 40 GHAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 257226203 FJQFACDMEYHYAX-IBGZPJMESA-N 384.455 3.553 0 40 GHAB O=C(CN1CCCC1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257273397 NGKADXDHAYMXPT-QGZVFWFLSA-N 387.911 3.721 0 40 GHAB CCOC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC(=O)c1ccccc1F 41292590 YBGWYCXHLUOEQB-UHFFFAOYSA-N 398.386 3.955 0 40 GHAB biogenic COc1ccc(-c2cncc(C(=O)Nc3cnc4c(c3)C[C@H](N)CC4)c2)c(C)c1 638154550 LTRQXVYCUYGFJQ-GOSISDBHSA-N 388.471 3.529 0 40 GHAB COC(=O)c1cn(Cc2ccc(Br)cc2)c2cc(F)ccc2c1=O 390823178 VJZLAXZVXYFAAI-UHFFFAOYSA-N 390.208 3.738 0 40 GHAB Cc1sc2nc([C@@H](C)OC(=O)Cn3ccc4ccccc43)[nH]c(=O)c2c1C 52376591 DKUKOWGMXFRPGX-GFCCVEGCSA-N 381.457 3.861 0 40 GHAB COc1cccc(-c2c[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3)n2)c1 79105658 SESGGYRTTWPMED-LJQANCHMSA-N 383.473 3.611 0 40 GHAB CCCN1CCN(c2ccccc2CN2CCC(c3c[nH]nc3C)CC2)CC1 585081474 VARRPDRYQBAFGQ-UHFFFAOYSA-N 381.568 3.630 0 40 GHAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1ccc(Cl)cc1F 1664379065 NTTOLMVJTZEVKL-QGZVFWFLSA-N 379.840 3.644 0 40 GHAB C[C@H]1CCc2c(sc3ncn(CC(=O)N4c5ccccc5C[C@@H]4C)c(=O)c23)C1 5318877 AARLXQNDNHZMEJ-KBPBESRZSA-N 393.512 3.561 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(C(=O)C3CCCC3)C2)on1 12123501 SYJLCBZNWFIADW-KRWDZBQOSA-N 393.491 3.897 0 40 GHAB CCCc1cc(OC(=O)Cc2ccc(OC)cc2)n(-c2nc3ccccc3[nH]2)n1 13639579 RIQCCIWSUAWVKA-UHFFFAOYSA-N 390.443 3.858 0 40 GHAB Cc1nn(Cc2c(F)cccc2Cl)c(C)c1N1C(=O)[C@H]2CC=CC[C@H]2C1=O 17079180 NZCJMZNBLGLGAI-OKILXGFUSA-N 387.842 3.796 0 40 GHAB CC(C)(C)[C@@H]1CCc2onc(C(=O)NCc3nc(Cc4ccccc4)no3)c2C1 19664285 CNXDRXFPLXZKSR-OAHLLOKOSA-N 394.475 3.729 0 40 GHAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)c12 19714745 VDGQJDIEXASXFY-UHFFFAOYSA-N 382.449 3.764 0 40 GHAB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1C(C)C 19818585 RCRKSMQBCNHLPT-PMACEKPBSA-N 391.471 3.960 0 40 GHAB C[C@@H]1OCc2cc(=O)n(CC(=O)N3c4ccccc4Sc4ccccc43)nc21 105776356 CIMHYYFQRJPWMM-ZDUSSCGKSA-N 391.452 3.664 0 40 GHAB CC(C)C(=O)N1CCC2(CCCCc3ccccc3OC[C@@H](C)NC2=O)CC1 643571428 MDHZCQDLFLKSRJ-GOSISDBHSA-N 386.536 3.561 0 40 GHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccc(C)o1 29271661 WAHYRTZJTRWBLY-KRWDZBQOSA-N 394.924 3.752 0 40 GHAB O=C(C1CC(F)(F)C1)N1CCC(COc2ncccc2C(F)(F)F)CC1 1775995757 HNIHLPARXXNGEK-UHFFFAOYSA-N 378.341 3.763 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@H](c2noc(-c3ccco3)n2)C1 245180722 ZHTRANBPUWAPDO-ZDUSSCGKSA-N 395.444 3.515 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3ccccc3F)CC2)CN1c1cccc(F)c1 2037839952 GIRIRLRIQJJYMY-QFIPXVFZSA-N 386.442 3.753 0 40 GHAB COc1ccc(C)cc1CC(=O)N1CCC[C@](COc2ccccc2)(OC)C1 2037916092 MYAHINPGGWMUQU-QHCPKHFHSA-N 383.488 3.633 0 40 GHAB COc1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)c1OC 4479389 CTQMWHDIZGXAEN-UHFFFAOYSA-N 379.416 3.885 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(F)cc(F)cc2s1 4585761 GJFMBGFVVHBITH-UHFFFAOYSA-N 382.413 3.620 0 40 GHAB Cc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 11612821 PVCJTNWJASYFBV-GOSISDBHSA-N 390.480 3.706 0 40 GHAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccccc1C(F)(F)F 36699952 RLLSWYZCGGSZRD-LJQANCHMSA-N 392.421 3.899 0 40 GHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cc(-c2cc3ccccc3o2)on1 38754570 ZHAXFHKTKJBSFI-LRTDBIEQSA-N 390.395 3.933 0 40 GHAB O=C(c1ccccc1Br)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618255548 SKMOVBAHRAGETA-CYBMUJFWSA-N 398.260 3.686 0 40 GHAB FC(F)(F)c1cc(N2CCC(Nc3ncnc4sccc34)CC2)ncn1 575616757 MNQNZPJJVNSQAH-UHFFFAOYSA-N 380.399 3.581 0 40 GHAB Cn1c(Cc2ccccc2)nnc1SCCCOc1ccc(C(=O)O)cc1 8731726 ANXCXVRPTMEVCW-UHFFFAOYSA-N 383.473 3.665 0 40 GHAB Cc1ccc2scc(CC(=O)N3CCc4nc([C@@H]5CCCN5)ncc4C3)c2c1 19220656 IJBUUTZHSTZRDT-IBGZPJMESA-N 392.528 3.552 0 40 GHAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@H]2C[C@@H]1O 2332242658 GLSWPZCLAXOBEY-YVCBRDFCSA-N 390.487 3.821 0 40 GHAB Cc1nc(COc2ccc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc2)no1 40050800 GLNQEVACWYFBJN-KBPBESRZSA-N 383.370 3.808 0 40 GHAB Cc1cc(-c2cc(C(=O)NC[C@H]3CCCO3)c3cnn(C(C)C)c3n2)c(C)o1 40040826 LERTZMCDFUGROP-OAHLLOKOSA-N 382.464 3.798 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)N[C@H](c1ccc(F)cc1)C1CCCC1 40117346 SXXOODLXABBYLE-NRFANRHFSA-N 379.435 3.583 0 40 GHAB O=C(c1cc(Br)c[nH]1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 50661809 SCOABZHSEAQEIP-OAHLLOKOSA-N 381.245 3.738 0 40 GHAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(c4ccc(C)cc4C)CC3)c2c1 20728767 VYSLWXWIRIVTEX-QFIPXVFZSA-N 393.487 3.741 0 40 GHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(F)ccc1-n1cnnn1 20717860 KRNQJBAMVCRHKL-UHFFFAOYSA-N 385.708 3.726 0 40 GHAB O=C(C1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1)N1CCCCCC1 16694707 LQDJFMUEDGZYMP-UHFFFAOYSA-N 392.927 3.821 0 40 GHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CNc1ccc(Br)cc1 8189874 SPERXNODUDFVRI-UHFFFAOYSA-N 388.265 3.625 0 40 GHAB COc1ccc(-c2noc(-c3ccc(OCC(=O)NC(C)(C)C)cc3)n2)cc1 32579127 INWXSWVKRKXWAF-UHFFFAOYSA-N 381.432 3.706 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)o2)cc1 875840 YVNZUFVSBGQCDF-GASCZTMLSA-N 375.494 3.839 0 40 GHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(C)cccc2CC)C1=O 2619981 ABIWCMKJFBZPCP-QHCPKHFHSA-N 393.487 3.743 0 40 GHAB COc1ccc(CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1OC 1048718 ZGVDOTDQANNXNW-UHFFFAOYSA-N 391.533 3.767 0 40 GHAB O=C(Nn1cnnc1)c1cc(-c2cccc(Br)c2)nc2ccccc12 3372701 JDPNWYVEZNOUKW-UHFFFAOYSA-N 394.232 3.640 0 40 GHAB O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 21468496 ZZEDXOVZOQPCKG-QGZVFWFLSA-N 395.484 3.790 0 40 GHAB C[C@@H](C(=O)NCC1CCCCC1)n1nnc(-c2cccc(C(F)(F)F)c2)n1 32910146 VZBZWPZTSPVDLO-LBPRGKRZSA-N 381.402 3.616 0 40 GHAB Cc1cccc(-c2nnc(NC(=O)CC[C@H]3C(=O)Nc4ccccc43)s2)c1 100778579 WFJPBJFFYYSAHU-OAHLLOKOSA-N 378.457 3.968 0 40 GHAB COc1ccc(CCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC 8024731 ADDRZTXONYIMMF-UHFFFAOYSA-N 382.504 3.602 0 40 GHAB CN1c2ccc(C(=O)Nc3cccc(F)c3)cc2-c2ccccc2S1(=O)=O 33088679 CENQNGFRQVTANP-UHFFFAOYSA-N 382.416 3.884 0 40 GHAB Cc1ccc(-n2nc(C)c(NC(=O)CNC(=O)c3cc(C)cc(C)c3)c2C)cc1 24923681 PQEKYXZIKFUAMF-UHFFFAOYSA-N 390.487 3.783 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 9062608 BNLQPPYSVCFOFT-QHCPKHFHSA-N 385.596 3.978 0 40 GHAB CC(C)C(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccc2nccnc2c1 12420906 JYFRZWPMVJJCDZ-LJQANCHMSA-N 388.427 3.692 0 40 GHAB O=C(CN1CCN(CCc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl 22914166 WCUHGQOKAGPILF-UHFFFAOYSA-N 392.330 3.792 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N(C)Cc1ccc(Cl)cc1Cl 23039261 VOEXAHWJFADOKW-MRXNPFEDSA-N 383.275 3.999 0 40 GHAB COc1ccc2nc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)sc2c1 22024695 CCHDXCKAHAAWFC-UHFFFAOYSA-N 385.470 3.992 0 40 GHAB CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccccc3OC)c(C)c2)CC1 56170191 YPUURXMZEJXIPN-GOSISDBHSA-N 396.535 3.585 0 40 GHAB O=S(=O)(CCN1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Cl 24164951 AKGJLQHPBXPJEU-UHFFFAOYSA-N 399.343 3.589 0 40 GHAB O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1cnccn1 12548102 KEJARIMKAHTDHM-UHFFFAOYSA-N 387.321 3.739 0 40 GHAB O=C(CCc1ccco1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 24989075 XTNNBOFXWZYWBJ-UHFFFAOYSA-N 396.896 3.679 0 40 GHAB O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2cccc3cccnc23)CC1 25045615 BGQFYVQIFGBBHE-VAWYXSNFSA-N 399.494 3.803 0 40 GHAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)c1nc(-c2ccccc2C)no1 107507955 VVTJLUYIGMNWRI-BHIYHBOVSA-N 382.508 3.971 0 40 GHAB O=C(CSc1nncc2ccccc12)Nc1ccc2c(c1)OC(F)(F)O2 44156701 GVFVPHNGZMYEBI-UHFFFAOYSA-N 375.356 3.682 0 40 GHAB O=C(COC(=O)/C=C/c1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl 3286013 YOBXIPDEMSOOBS-VOTSOKGWSA-N 384.741 3.949 0 40 GHAB CSc1ccc(CN(C)CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)cc1 26552612 HBBPKLIAFXNPEH-UHFFFAOYSA-N 378.856 3.820 0 40 GHAB COC(=O)c1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)cc1 1896192 XLHOPDBZTCCPIG-UHFFFAOYSA-N 399.497 3.697 0 40 GHAB COc1ccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc1Cl 26803500 BRLQYSJUIWVKSK-UHFFFAOYSA-N 387.867 3.635 0 40 GHAB Cc1cc(OCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)ccc1Cl 12601422 DOZOGBJXGKMNSW-IBGZPJMESA-N 387.842 3.806 0 40 GHAB CC(C)[C@@H](C(=O)NCc1ccc(OC(F)F)cc1)N1CCc2ccccc2C1 58154371 SDCGTJLHDQMQMX-FQEVSTJZSA-N 388.458 3.987 0 40 GHAB Cc1ncsc1CN1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306128913 HOGDWFJITCZMBD-SFHVURJKSA-N 390.516 3.936 0 40 GHAB O=c1[nH]c(CNc2ccc(Cl)cc2)nn1Cc1ccc(OC(F)(F)F)cc1 44919826 GVJASMBCYGOJTE-UHFFFAOYSA-N 398.772 3.784 0 40 GHAB CCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 3371092 WZEKZCJBDYJTQT-FQEVSTJZSA-N 390.439 3.884 0 40 GHAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Br)c(C)n1 2397867 ORPZBQFYSLFJON-UHFFFAOYSA-N 394.294 3.596 0 40 GHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 11055962 WEZBECUEGSKMIQ-UHFFFAOYSA-N 377.452 3.899 0 40 GHAB CN(C)C(=O)[C@H](OC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 11493832 OMILKGGDMQRSSG-GOSISDBHSA-N 383.835 3.716 0 40 GHAB NC(=O)c1cn(CC(=O)NCC(c2ccccc2)c2ccccc2)c2ccccc12 48354115 PPLALNXWBUFCEK-UHFFFAOYSA-N 397.478 3.689 0 40 GHAB CC1=NN(c2ccc(C(=O)NCc3cccnc3OC3CCCC3)cc2)CC1 48344020 NCSQJHBDGHFUIL-UHFFFAOYSA-N 378.476 3.919 0 40 GHAB Cc1ccc([C@@H](NC(=O)CCNC(=O)c2ccco2)c2ccccc2)cc1C 12801534 SOSLIZJGTFJPRU-QFIPXVFZSA-N 376.456 3.922 0 40 GHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)COc1ccc2ccccc2c1 12894959 FPVSGJACHYFIFO-INIZCTEOSA-N 397.496 3.842 0 40 GHAB Cc1sc2ncn(C[C@@H](O)COc3cc(Cl)ccc3Cl)c(=O)c2c1C 12893522 MBIVGVIDRYAPSR-GFCCVEGCSA-N 399.299 3.822 0 40 GHAB COc1ccc(Cl)cc1C(=O)O[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 3497606 JQFGUPWRBQHTIW-LBPRGKRZSA-N 375.808 3.735 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 3519994 CVKXEFKONHOLQO-UHFFFAOYSA-N 380.429 3.957 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@H]1c1ccc(F)cc1 13095766 RLKFBLWNXBVTPV-SFHVURJKSA-N 398.390 3.632 0 40 GHAB CCS(=O)(=O)N1c2ccc(C(=O)NC3CCCCCCC3)cc2C[C@@H]1C 20449273 HZHQQUGVHRJSDN-HNNXBMFYSA-N 378.538 3.630 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)O[C@@H](CC)C(=O)c3ccccc3)CC2=O)cc1 5002143 BIEFPAAWHADZIZ-PXNSSMCTSA-N 395.455 3.643 0 40 GHAB CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)C1 69417922 AKNKOKGSXQYWLC-PBHICJAKSA-N 378.900 3.602 0 40 GHAB C[C@H]1CN(c2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 4354707 VJGBHENYXOXKNI-PHIMTYICSA-N 378.263 3.736 0 40 GHAB COc1ccc(NC(=O)c2nnn(-c3cccc(SC)c3)c2C)cc1OC 4316184 YQONPULAEPCWDG-UHFFFAOYSA-N 384.461 3.567 0 40 GHAB CCCCc1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1 6294237 GZAWHQHQIRQURL-UHFFFAOYSA-N 378.428 3.666 0 40 GHAB O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccc(CN2CCOCC2)cc1 22517214 VKFWEVMLJCEOSL-UHFFFAOYSA-N 395.286 3.843 0 40 GHAB CN1C(=O)[C@@](O)(CC(=O)c2cccc(Br)c2)c2cc(Cl)ccc21 4555353 QJSXBNHBEVUXOH-QGZVFWFLSA-N 394.652 3.540 0 40 GHAB Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1nc2ccccc2n1C 28234239 YRNOQUOITAPSIA-VIFPVBQESA-N 385.777 3.950 0 40 GHAB CC[C@@H](O)c1cc2c(cc1NC(=O)c1cccc(Br)c1)OCCO2 4699545 NRCBFJDDCDJHEQ-OAHLLOKOSA-N 392.249 3.916 0 40 GHAB C[C@@H](c1cccs1)n1[nH]cc/c1=N\C(=O)CC1(CC(=O)O)CCCCC1 6847376 MEGFSEWXGCARRF-IKBYJFNHSA-N 375.494 3.730 0 40 GHAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(F)cc1)N(CCN(C)C)C3=O 8549478 MAGQJXNSSIEDPP-FQEVSTJZSA-N 394.446 3.656 0 40 GHAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccn3)C3CCCCC3)cc2c1 8579666 URECCJSFDABKOE-UHFFFAOYSA-N 391.471 3.907 0 40 GHAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)NCCc1ccccc1 5900101 PQEAEANAEBIPCI-UHFFFAOYSA-N 387.435 3.826 0 40 GHAB COc1ccc(OC)c(COC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 7078781 RKXNFUTWQCDTNZ-UHFFFAOYSA-N 381.384 3.906 0 40 GHAB c1cc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)cs1 306127389 FXKGHKUYFMOZKV-NRFANRHFSA-N 395.484 3.515 0 40 GHAB Cc1ccsc1C(=O)N1CC[C@]2(C1)Cn1c(-c3ccsc3)cnc1CO2 306134682 NVFLNUQFBOWQIC-IBGZPJMESA-N 385.514 3.797 0 40 GHAB O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCOCC1 16449254 XBVRYRLVFAWJRR-UHFFFAOYSA-N 390.892 3.543 0 40 GHAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1cccc(C[S@@](C)=O)c1 92645402 MIKXRFZZALIWSP-SANMLTNESA-N 387.892 3.965 0 40 GHAB Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4cccs4)s3)CC2=O)cc1C 9199383 DVJQDSQDDDLFCN-CYBMUJFWSA-N 398.513 3.989 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(F)cc2)c1 9237671 LWNYAJZTPZZSKO-ZWKOTPCHSA-N 397.479 3.740 0 40 GHAB c1cncc(-c2cnc3n2CC2(CCN(Cc4ccc5c(c4)OCO5)CC2)C3)c1 306130224 IZLKCAXSBUQGEH-UHFFFAOYSA-N 388.471 3.512 0 40 GHAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccccc1Cl)CO3 9422263 ZOMXMGAFNMZQAI-UHFFFAOYSA-N 399.830 3.827 0 40 GHAB CCC(=O)N(c1nnc(SCc2nc(-c3cccs3)no2)s1)C1CC1 9516718 OSVYRSBGLWBTRE-UHFFFAOYSA-N 393.519 3.847 0 40 GHAB CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 408703244 QCVNZDHVVPFZNB-UHFFFAOYSA-N 387.288 3.685 0 40 GHAB Cc1ccc(Br)cc1NC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@@H]2C1 72295053 TVPPPPDLSLODHU-YSVLISHTSA-N 378.314 3.706 0 40 GHAB Cc1nnsc1-c1nnc2sc(-c3ccc(Br)cc3F)nn12 72404827 OLQUBJKXQATQIC-UHFFFAOYSA-N 397.258 3.581 0 40 GHAB Cc1cc(Br)c2c(c1)[C@@]1(CC(O)=Nc3c1cnn3C(C)C)C(=O)N2 79492660 QSNBZOGDNWEBPQ-QGZVFWFLSA-N 389.253 3.765 0 40 GHAB O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCCN1C(=O)c1ccnc(Cl)c1 84613377 YWQYKNLPSIFIBB-OAHLLOKOSA-N 379.794 3.647 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)[C@H](O)Cc2ccccc2)c1 95431421 XIYJQVFUXOUDOY-OPAMFIHVSA-N 394.471 3.592 0 40 GHAB C[C@H]1C[C@@H]1c1cc(NC(=O)c2cccc3c2oc(=O)n3C)n(-c2ccccc2)n1 95975770 RGAQPIFFCBRBIF-BBRMVZONSA-N 388.427 3.693 0 40 GHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CCOc2ccccc21 9913554 VBXFOXAFVGCKNT-OAHLLOKOSA-N 390.468 3.800 0 40 GHAB CSc1ccccc1C(=O)N1CCN([C@@H](CCC(=O)O)c2ccccc2)CC1 408613622 YXSWQTNUCCKUDM-IBGZPJMESA-N 398.528 3.772 0 40 GHAB CCc1c(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)cnn1-c1ccccn1 174738925 QJSSCNNEOVCJSJ-INIZCTEOSA-N 386.459 3.506 0 40 GHAB COc1cc(COc2ccc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)cc2)ccc1C 62715722 BYBQBUKECVYLQW-RUCTVCJSSA-N 397.471 3.821 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)c1 32469744 YFGYQOBMKSFPKI-UHFFFAOYSA-N 399.468 3.975 0 40 GHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCN(C(=O)c2ccoc2)CC1 30134139 BLTDKLXFNZQDER-UHFFFAOYSA-N 384.520 3.807 0 40 GHAB Cc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1Cl 219712807 NXIZHEGIVWIVDA-UHFFFAOYSA-N 380.897 3.688 0 40 GHAB COc1ccccc1CNC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 31028912 RFQXQUAUZPAIEZ-UHFFFAOYSA-N 387.911 3.766 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nnc(-c3ccco3)o2)CC1 35597689 MNRNOABHEJLALJ-UHFFFAOYSA-N 393.852 3.551 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)[C@H](CCSC)NC(=O)c1ccccc1 32722627 QPAQEWGZLLBNHS-IBGZPJMESA-N 388.508 3.726 0 40 GHAB O=C(COc1ccc(Cl)cc1)NC(=S)NC1C2CC3CC(C2)CC1C3 32118881 MPGKUMQMJVABCW-UHFFFAOYSA-N 378.925 3.534 0 40 GHAB O=C(CN1CCC(c2cncc(-c3cccc(F)c3)n2)CC1)NC1CCCCC1 72359411 PEFPMLUASYEZEG-UHFFFAOYSA-N 396.510 3.911 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 219363480 LASXUCLUWCNIRW-LJQANCHMSA-N 395.459 3.870 0 40 GHAB O=C(OCc1ccccc1)[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1 35315342 IZGCKWHDNJEEAX-HSZRJFAPSA-N 375.468 3.793 0 40 GHAB in-vitro CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CC[S@@](=O)C(C)(C)CC1 560584397 SKSIMPAJGMQSAU-HHHXNRCGSA-N 388.537 3.896 0 40 GHAB CC(=O)N1CC[C@H](c2c(C(=O)NCCc3ccccn3)sc3ccccc23)C1 72352620 ZMIOYHDXOGDFMF-INIZCTEOSA-N 393.512 3.605 0 40 GHAB CCCc1noc(-c2cc(S(=O)(=O)Nc3ccccc3C)ccc2OC)n1 46020178 PKEYZOJANAYNAL-UHFFFAOYSA-N 387.461 3.807 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(F)cc3)n2)cc1OC 138555626 RQPHVOUMNFZIJX-CYBMUJFWSA-N 399.422 3.703 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1 222943982 ULSBCVXEUDACIO-QFIPXVFZSA-N 396.531 3.748 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 224655054 QEHAOMIRFNQONI-IBGZPJMESA-N 382.504 3.789 0 40 GHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1cccc(CN2CCOCC2)c1 224739694 DHRPDZCZUFOCAL-JOCHJYFZSA-N 396.531 3.609 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 225363097 VGAABTDHYLWIJV-NRFANRHFSA-N 382.504 3.571 0 40 GHAB CCCCC(C)(C)[C@H](O)/C=C\[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 195780964 YMRWVEHSLXJOCD-SWSKFZOXSA-N 382.541 3.679 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)ccc1Cl 223890913 WUGRAROWRSFOAJ-CYBMUJFWSA-N 381.881 3.783 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1 222562568 CLBBJGXXYKJKPH-DENIHFKCSA-N 380.532 3.994 0 40 GHAB CCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)Nc1cccnc1)c1ccccc1O2 96242990 IRNZWZXKLXIIJB-QGZVFWFLSA-N 393.487 3.748 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)c1ccc(C(F)(F)F)cc1 253409146 ZOAYPHTYGVLSEN-HNNXBMFYSA-N 384.423 3.818 0 40 GHAB Cc1ncsc1-c1cc(C(=O)N2[C@@H]3CN[C@@H]4CCCC[C@H]2[C@]4(C)C3)ccn1 257240623 HUIZSSNNERCTJT-CQSHLORDSA-N 382.533 3.649 0 40 GHAB CC1(C(=O)N[C@H]2COc3ccc(F)cc3C2)CCN(Cc2ccccc2)CC1 585085091 DYEDUAZYIRUMCB-HXUWFJFHSA-N 382.479 3.548 0 40 GHAB c1cnc(Nc2ccc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)nc2)nc1 257305560 SQOCXAIHNUAJLV-QFIPXVFZSA-N 398.470 3.737 0 40 GHAB CN1Cc2cc(-c3csc(NC(=O)[C@@H]4CC45CCOCC5)n3)ccc2NC1=O 684538219 QDJFTYRHHPGXKP-AWEZNQCLSA-N 398.488 3.543 0 40 GHAB C[C@@H]1CCCCN1Cc1ccc(CNC(=O)Cn2ccc(C(F)(F)F)n2)cc1 46615578 GDFTUEPROAQSLM-OAHLLOKOSA-N 394.441 3.593 0 40 GHAB CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1 58494471 VZXWDWTWEQUZHS-UHFFFAOYSA-N 396.198 3.795 0 40 GHAB COCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 3055361 DYDHSYCNXZYFPN-BOPFTXTBSA-N 393.270 3.527 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2sc(-c3ccccc3F)nc2C)CC1 12408510 KPHSGOCMWSXQKG-UHFFFAOYSA-N 391.468 3.608 0 40 GHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(Cl)cc3)ccc21 13584024 XNRHZDLFGDNDIH-UHFFFAOYSA-N 378.881 3.695 0 40 GHAB Cc1[nH]c2ccc(CNC(=O)c3cc(-c4ccc5c(c4)OCO5)n[nH]3)cc2c1C 19576854 YZLMPIZKNQTQKI-UHFFFAOYSA-N 388.427 3.834 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3c(Cl)cccc3Cl)ccc21 19936775 KRLYFJQJWTVCAD-UHFFFAOYSA-N 387.244 3.722 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@@H](c3cc4cnccc4[nH]3)C2)cc1OC 19560424 DKDGHOIQCQVVQC-MRXNPFEDSA-N 379.460 3.529 0 40 GHAB CCn1nc(C(C)C)cc1C(=O)N1CCC[C@](COc2ccccc2)(OC)C1 2037909346 VZDDKZWYAVYRTC-QFIPXVFZSA-N 385.508 3.727 0 40 GHAB CC1CCC(C(=O)N2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)CC1 1565542387 UJXKGXXNRZROEA-ZRDBQHMHSA-N 386.536 3.822 0 40 GHAB COc1ccc([C@@]2(O)CN(c3cc(C)ccc3C)C3=[N+]2CCCC3)cc1OC 2966287 TWWXHEMMPNABHL-QHCPKHFHSA-N 381.496 3.581 0 40 GHAB Cc1nc(-c2ccccc2)sc1CCNS(=O)(=O)c1cc(F)ccc1F 4392327 VQEZJKQMUWIJSN-UHFFFAOYSA-N 394.468 3.918 0 40 GHAB Cc1ccc(C)c(CN2C(=O)N(c3cc(C)ccc3C)[C@H]3CS(=O)(=O)C[C@@H]32)c1 4484226 NNFRPDXKFJGFRU-SFTDATJTSA-N 398.528 3.528 0 40 GHAB Cc1ccc(OCC2CCN(C(=O)Cc3cccc4ccccc34)CC2)nn1 1775966471 GNHNXFMUVCVXGP-UHFFFAOYSA-N 375.472 3.798 0 40 GHAB Cc1sc2nc(SCC(=O)N3c4ccccc4C[C@H]3C)[nH]c(=O)c2c1C 1368204 CBXBBHUNZFJYQZ-SNVBAGLBSA-N 385.514 3.671 0 40 GHAB Cc1cc(NC(=O)CSc2cnc3ccccc3n2)n(-c2ccccc2)n1 40049297 PUKPMOUQCNSCRW-UHFFFAOYSA-N 375.457 3.855 0 40 GHAB C[C@H](NC(=O)CNc1ccc(C(=O)N(C)C)cc1)C12CC3CC(CC(C3)C1)C2 30494248 NYJFVOIYRVEQML-SCUMNGBJSA-N 383.536 3.521 0 40 GHAB COc1ccc(NC(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 40119898 SPGNCZZIDWWAIJ-UHFFFAOYSA-N 386.427 3.652 0 40 GHAB O=c1c([C@H]2NCCc3ccccc32)c(O)[nH]c(=S)n1CCC1=CCCCC1 20149656 LWDWSQAXOLKUTE-SFHVURJKSA-N 383.517 3.737 0 40 GHAB O=C(O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(F)c2F)cc1 40288112 CVASUAOHIAUWID-SFHVURJKSA-N 398.369 3.566 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)Cc1c(F)cccc1Cl 31506598 JYIRNKBLXAOUDG-UHFFFAOYSA-N 376.859 3.517 0 40 GHAB CC(C)(C)n1ncc(NCC2CCN(Cc3ccccc3)CC2)c(Cl)c1=O 60244204 YZLNGZFQNDQDSR-UHFFFAOYSA-N 388.943 3.976 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 17302696 NUODDKDXKKCYLR-INIZCTEOSA-N 380.448 3.528 0 40 GHAB CCOc1cc(C=O)ccc1OC(=O)c1ccccc1I 725298 VLIQQADLMQCXJQ-UHFFFAOYSA-N 396.180 3.722 0 40 GHAB CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl 69653223 BAVGWUFLOHILNX-RISCZKNCSA-N 389.348 3.899 0 40 GHAB O=C(Nc1ncccc1Cl)c1ccc(C(=O)Nc2ncccc2Cl)nc1 2748934 XBLWCIAOVKDQDC-UHFFFAOYSA-N 388.214 3.683 0 40 GHAB O=C(CCNC(=O)N1CCC[C@@H]1c1ccsc1)N1CCc2sccc2C1 52330684 QIXDPFAVYABDAZ-MRXNPFEDSA-N 389.546 3.631 0 40 GHAB O=C(CN1CCC[C@@H]1c1cccc(F)c1)NC[C@H]1CCN(c2ccccc2)C1 52456197 XPEIDVALRBKKRD-XMSQKQJNSA-N 381.495 3.605 0 40 GHAB O=C(CC[S@](=O)Cc1ccccc1Br)Nc1ccccc1F 32800958 UIPFCADPKRSWOK-JOCHJYFZSA-N 384.270 3.866 0 40 GHAB O=C(COC(=O)CSCc1ccc(Cl)c(Cl)c1)NC1CCCC1 4799986 CSXULKYLXDSULK-UHFFFAOYSA-N 376.305 3.829 0 40 GHAB O=C(Nc1ccc(F)cc1F)NC1(C(=O)NCc2cccnc2)CCCCC1 4927488 SVFWJTLZYHOMPF-UHFFFAOYSA-N 388.418 3.501 0 40 GHAB CCCCN(CCCC)CCCNC(=O)c1cn(Cc2ccccc2)nc1N 6592321 XBZLKECYMGSFOI-UHFFFAOYSA-N 385.556 3.536 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)NC2CCCCC2)c1 6681112 CAOXYVHQVKAKNA-UHFFFAOYSA-N 378.519 3.636 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 6946669 DQQBCWSPRCEVQU-SFHVURJKSA-N 388.533 3.804 0 40 GHAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)c1 7882424 VGZHQQZHMSNBGJ-SFHVURJKSA-N 394.471 3.799 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c(C)c1 8041675 XUIQZVZTGMMCHT-ZWKOTPCHSA-N 396.487 3.618 0 40 GHAB COc1ccccc1N1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1 8200547 JJRFDWOCKHPIFJ-UHFFFAOYSA-N 386.879 3.660 0 40 GHAB COc1cc([C@@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)ccc1O 102725031 ODSPIWBYCZGRBF-HXPMCKFVSA-N 378.388 3.651 0 40 GHAB COc1ccc(CCc2nnc(NC(=O)C3[C@H]4CCCC[C@H]34)s2)cc1OC 100771066 HEDRVXVCBBQWQG-KBPBESRZSA-N 387.505 3.715 0 40 GHAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCO[C@H](c2ccc(Cl)cc2)C1 53369443 VIFFKKBZTZZWNG-YOEHRIQHSA-N 376.888 3.518 0 40 GHAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(F)c(Cl)c1 52537372 UZJUBCVRHOYFBW-UHFFFAOYSA-N 382.266 3.893 0 40 GHAB COc1cccc(C(=O)OCc2nc(-c3ccc(Br)cc3)no2)c1 51315189 YPIZQHAZECNOFA-UHFFFAOYSA-N 389.205 3.865 0 40 GHAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccn(Cc2ccccc2)c1=O 3041327 HHUPTTZUKVADLW-UHFFFAOYSA-N 386.373 3.845 0 40 GHAB C[C@@H](NC(=O)CN1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 54173011 ATKLHBPGIJNDJU-SDOQWUHBSA-N 381.564 3.530 0 40 GHAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)N[C@@H](C)c1ccccc1 8604967 WOVFFEDXKUEJGT-NSHDSACASA-N 393.461 3.867 0 40 GHAB O=C(NCCCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccsc1 24828943 GJEYFCWSXWQVLJ-UHFFFAOYSA-N 396.516 3.541 0 40 GHAB O=C(CSc1nnc2n1CCCCC2)Nc1nc(-c2ccccc2)cs1 12567614 RIYVPFOHRTVFGE-UHFFFAOYSA-N 385.518 3.859 0 40 GHAB CCCNc1nnc(S[C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)s1 26976693 VPRIOCDPEZUEKT-LBPRGKRZSA-N 389.550 3.681 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)NC3CCCCCC3)o2)cc1 10045106 RZYKKUORICMGFQ-UHFFFAOYSA-N 384.476 3.965 0 40 GHAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 58165268 NCIDMIAEFIZBGD-KRWDZBQOSA-N 383.923 3.830 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(Cn2c(=O)oc3ccc(Cl)cc32)C1 44849205 LVRGOGDQDRECNG-AWEZNQCLSA-N 385.851 3.556 0 40 GHAB O=C(CCc1cccc(F)c1)NCCNC(=O)c1ccc(Cl)c(Cl)c1 27455633 UPOQKWDADSRCJI-UHFFFAOYSA-N 383.250 3.611 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 21321528 BLKFOSQJIUYUQG-UHFFFAOYSA-N 380.366 3.863 0 40 GHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2F)c(F)c1F 408624049 ASBDKFBLDHHQNJ-UHFFFAOYSA-N 376.306 3.518 0 40 GHAB CCOC(=O)[C@@](NC(=O)[C@@H](C)CC)(Nc1cccc(Cl)c1)C(F)(F)F 2311848 CUKRKFBZOHBYGL-BONVTDFDSA-N 380.794 3.736 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 12846543 GFBLHCMLYGYXTD-UHFFFAOYSA-N 383.835 3.536 0 40 GHAB Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1 3493839 XAQGNSRATQGQGF-UHFFFAOYSA-N 395.528 3.769 0 40 GHAB O=C(COc1ccc(Cl)cc1)Nc1cc2c(cc1Br)OCCO2 3554383 VFHUEWRCOBIVSL-UHFFFAOYSA-N 398.640 3.891 0 40 GHAB Cc1cc(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)c(C)n1C 3533240 LCEAMPMIZCPICT-UHFFFAOYSA-N 377.473 3.746 0 40 GHAB CNC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 12916475 RYEMDBPGCZGQST-UHFFFAOYSA-N 386.411 3.744 0 40 GHAB COc1ccc(N2C(=O)C[C@H](Nc3ccc(OC(F)(F)Cl)cc3)C2=O)cc1 3672127 VBRQSSDZXCCVRA-HNNXBMFYSA-N 396.777 3.607 0 40 GHAB C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc(-c2ccccc2)cc1 13002750 RSYJWNLUFYWJMK-KRWDZBQOSA-N 383.451 3.941 0 40 GHAB CC(C)[C@H](C)N(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccc(F)c1 8772403 YFRDCYHRSHJVMD-HNNXBMFYSA-N 389.446 3.889 0 40 GHAB COc1ccc(OCc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 13684363 XJBLUYCCGKGBLI-UHFFFAOYSA-N 377.429 3.922 0 40 GHAB CC(C)(C)c1ccc(C(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 4351424 QRNRBEXXXYRNTB-UHFFFAOYSA-N 393.439 3.677 0 40 GHAB Cc1c(C(=O)NC2CCCC2)cnn1-c1ccc(-c2nc(C(C)(C)C)no2)cn1 65251532 XYZKXWVUOVUNKN-UHFFFAOYSA-N 394.479 3.596 0 40 GHAB COc1cc(CCC(=O)Nc2cc3c(cc2Cl)OCO3)cc(OC)c1OC 14188848 HTQGOYJTAICKFM-UHFFFAOYSA-N 393.823 3.666 0 40 GHAB O=S1(=O)N(Cc2ccccc2)c2ccccc2C12CCN(C1CCC1)CC2 306124485 BRAHFEOBKPBHAC-UHFFFAOYSA-N 382.529 3.880 0 40 GHAB COc1cc(CC(=O)N(C)Cc2c(F)cccc2Cl)cc(OC)c1OC 6559475 OTBRAXBPNZXILA-UHFFFAOYSA-N 381.831 3.706 0 40 GHAB CCCOC(=O)c1cc(NC(=O)c2cccc(C)c2)ccc1N1CCOCC1 4711623 BKHKIBWJFYDDTL-UHFFFAOYSA-N 382.460 3.651 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(NC(C)=O)c1 6784398 CJYOEJWWAPANBY-UHFFFAOYSA-N 396.365 3.941 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3F)n[nH]2)cc1 4877789 CZTAXVCMNGDKCD-LLVKDONJSA-N 399.451 3.689 0 40 GHAB C[C@@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)N(C)c1ccccc1 7233182 OGYIPIDQDJTJDD-MRXNPFEDSA-N 389.455 3.958 0 40 GHAB C[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)NCc1cccs1 7207875 OJPFGMGIZQTJRX-NSHDSACASA-N 378.910 3.779 0 40 GHAB CCCSc1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)s1 7397610 BIXXOQAUKRGNKY-VIFPVBQESA-N 383.520 3.888 0 40 GHAB C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)N1CCCC1 7702406 OVWJAJYHEOHSKY-HNNXBMFYSA-N 395.484 3.769 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)Nc3nc(C(C)(C)C)cs3)CC2=O)cc1 7814051 KZYMYPPBXSGBDX-CYBMUJFWSA-N 387.505 3.831 0 40 GHAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 7878772 QTAHCXZXCWWKAU-GFCCVEGCSA-N 387.896 3.540 0 40 GHAB CCN(CC)Cc1ccccc1CNC(=O)c1cccc(N2CCCC2=O)c1 7946746 XSVGUTQHIDGYNN-UHFFFAOYSA-N 379.504 3.585 0 40 GHAB c1ccc(-n2cc(CNC[C@@H]3COc4ccccc4O3)c(-c3cccnc3)n2)cc1 8315154 HAZFNMBNCBDBHC-OAQYLSRUSA-N 398.466 3.864 0 40 GHAB Cn1c(SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)nnc1-c1ccc(F)cc1 8473128 NLGRFMMWTZDOMO-WMLDXEAASA-N 388.512 3.895 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)N(CCc3ccccc3)[C@H]3CCOC3)c2C)no1 79053942 VHXPJNZSEBLDIY-FQEVSTJZSA-N 393.487 3.864 0 40 GHAB O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 79112537 QJTHMVULEGAUSB-CQSZACIVSA-N 391.221 3.585 0 40 GHAB O=C(NCCc1nnc(-c2ccccc2)o1)Nc1nc(-c2cccnc2)cs1 79100349 UQPHLBZKLGTMLQ-UHFFFAOYSA-N 392.444 3.619 0 40 GHAB Cc1ccc(N2C(=O)CC[C@H](C(=O)NC3CCOCC3)[C@H]2c2cccs2)cc1 95364831 AGMORENQKQMWHV-RXVVDRJESA-N 398.528 3.836 0 40 GHAB Cc1nc([C@H]2CCCN(C(=O)c3sc4nc(C5CC5)nc(C)c4c3C)C2)n[nH]1 95966370 YAUVPIOXBQRZOB-AWEZNQCLSA-N 396.520 3.632 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc3[nH]ncc3c2)cc1 89729932 KIFRHQZISNUYKC-UHFFFAOYSA-N 395.422 3.823 0 40 GHAB Cc1ccc(CC(=O)N2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 306130127 IWXDJLRZHFFZMK-NRFANRHFSA-N 397.482 3.658 0 40 GHAB CC(C)Oc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 32288046 HXAJFILIMMJQNT-UHFFFAOYSA-N 388.489 3.511 0 40 GHAB Cc1ccccc1C1(C(=O)N2CCC(OCCN3CCCC3)CC2)CCCC1 515932497 OPAZZBFZSGDCCM-UHFFFAOYSA-N 384.564 3.910 0 40 GHAB O=C(Nc1ccccc1Cl)c1cn(-c2cccc(Br)c2)nn1 31872595 OZMSCTPXBGKAPO-UHFFFAOYSA-N 377.629 3.936 0 40 GHAB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@H](C)C2)cc1 33730764 WWATUSHQVSRAIO-DCGLDWPTSA-N 386.521 3.881 0 40 GHAB CN(C)c1ccc([P@](=O)(OCc2ccccc2)[C@H](O)c2ccncc2)cc1 37866293 OAMJWCBJGHKXJM-IDISGSTGSA-N 382.400 3.959 0 40 GHAB O[C@@H](COC(c1ccccc1)c1ccccc1)Cn1cnc(-c2ccncc2)n1 534397848 SHZWXRBBHPPVCB-OAQYLSRUSA-N 386.455 3.507 0 40 GHAB CC(C)(C)[C@@H]1CCc2sc(C(=O)NCc3ccnc(-n4cncn4)c3)cc2C1 1544257226 RAVJOYANQHVMPA-MRXNPFEDSA-N 395.532 3.805 0 40 GHAB CC[C@H](C(=O)Nc1c(C)cccc1C)n1cccc(-c2nc(C3CC3)no2)c1=O 77100845 JRFZYURZTRNJDS-QGZVFWFLSA-N 392.459 3.982 0 40 GHAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc2ccccc2s1 32707874 BHTKUXZZPDGRPL-UHFFFAOYSA-N 380.469 3.555 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)o2)cc1C 216030994 AHVMMSQYIZOQTK-BFYDXBDKSA-N 387.505 3.662 0 40 GHAB COC(=O)[C@@H]1C[C@@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21 35644594 MJIVTEQYUJILHQ-JPYJTQIMSA-N 385.463 3.567 0 40 GHAB in-vitro COCCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 70666391 SSQWMEIREALGRY-HXUWFJFHSA-N 386.536 3.738 0 40 GHAB biogenic Cc1ccnc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)c1 60657470 NXRGBFULXBRYSS-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Br)cc1 224736751 DLLNBFLOYBTIKG-UHFFFAOYSA-N 376.222 3.943 0 40 GHAB COc1ccc(C2(C(=O)Nc3ccc(OC)c4ncccc34)CCOCC2)cc1 225878225 DBWDGXUXNJOZGP-UHFFFAOYSA-N 392.455 3.939 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCN2CCC[C@@H](C)C2)c1 225737041 DMCRUJSQBMKEMA-CYBMUJFWSA-N 383.945 3.535 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c(C)c1 224109473 ZTELSRSOOWXJGZ-FQEVSTJZSA-N 396.531 3.872 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@H](CNCCc2cccc(Br)c2)C1 89223568 LFLCLGISMPCQMA-OAHLLOKOSA-N 383.330 3.838 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)[C@@H](c1ccccc1)n1cccc1)CC2 49030860 GFZMJAHSRREQBJ-JOCHJYFZSA-N 376.456 3.680 0 40 GHAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(C)C)c2)c1=O 44840696 UMFNFMFYRVMGFM-INIZCTEOSA-N 393.487 3.896 0 40 GHAB O=S(=O)(c1cccc2cnccc12)N1CC2(CCOCC2)[C@@H]1c1ccccc1 570693187 TZODUWMJTYIXRF-NRFANRHFSA-N 394.496 3.777 0 40 GHAB COc1ccccc1S(=O)(=O)NC[C@@](C)(O)c1ccc(-c2ccccc2)cc1 77184250 VSVWSWPNIOLBKO-JOCHJYFZSA-N 397.496 3.548 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1cccc(CN2CCCC2)c1 224626837 WAQOKKJADPTRTQ-HXUWFJFHSA-N 382.504 3.765 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 224652132 DBDUKYMCPGFSJP-OAQYLSRUSA-N 395.480 3.850 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 96589033 NVWXMKVBMRWYQP-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB Cc1ccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn3c2=O)cc1 98086596 IOSGONNQVWOVAE-UHFFFAOYSA-N 378.501 3.989 0 40 GHAB COC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253612373 LBPKNGBNCCAHKH-QXNBJYNPSA-N 390.520 3.929 0 40 GHAB Cc1cccc(Nc2cccc(C3CCN(Cc4cn(C)nc4C)CC3)n2)n1 257298578 RMIUBGVSCCMNDI-UHFFFAOYSA-N 376.508 3.950 0 40 GHAB Cc1nc[nH]c1CN1CCO[C@]2(CO[C@@H](c3ccc(F)cc3)[C@H](C(C)C)C2)C1 257261745 LIQREJVQINONSP-BVSLBCMMSA-N 387.499 3.862 0 40 GHAB C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(Br)c3cccnc23)C1 594963436 VLVSIEDJWMAHQB-VVYDWRJNSA-N 381.339 3.777 0 40 GHAB O=S(=O)(Cc1ncc(Br)cc1Cl)C[C@@H]1CC[C@@H]2C[C@@H]2C1 621995521 CEAOBDQXOLRPEI-MXWKQRLJSA-N 378.719 3.849 0 40 GHAB COC(=O)c1cc(NC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)nn1C 1674229819 KJUONHLWPJTZAY-VIFPVBQESA-N 397.262 3.665 0 40 GHAB COC(=O)c1c(C)nsc1NC(=O)N1CCC(Cc2cccc(F)c2)CC1 89532596 JYXITDDWBXJNSG-UHFFFAOYSA-N 391.468 3.864 0 40 GHAB O=C(NCC1CCN(CC(F)(F)F)CC1)c1ccc(OC(F)(F)F)cc1 189289352 UEZHXEPZNHSRKU-UHFFFAOYSA-N 384.320 3.589 0 40 GHAB CCN(Cc1ccccc1)C(=O)COC(=O)/C=C/c1ccc(Br)o1 3247214 TUWRFJZLQAJCTE-PKNBQFBNSA-N 392.249 3.647 0 40 GHAB CCOc1ccc(CC(=O)N[C@H]2CCCc3nc(-c4ccncc4)ncc32)cc1 12254316 HTVQRNHARURCBF-FQEVSTJZSA-N 388.471 3.674 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccncc3)cc2n1 12276528 JHWJWDABEPDKBU-OAHLLOKOSA-N 389.381 3.683 0 40 GHAB CN(Cc1cccc2ncccc12)C(=O)CCCOc1ccc2c(c1)OCO2 12325641 YSZADMCOMPHXGW-UHFFFAOYSA-N 378.428 3.781 0 40 GHAB CC(=O)N1C(=O)[C@]2(S[C@H](C)C(=O)N2c2ccc(Cl)cc2)c2ccccc21 12416883 IABITACYUQTLID-NSPYISDASA-N 386.860 3.554 0 40 GHAB COc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2C)c(OC)c1OC 14000949 WALMVGPXNVPFFN-HNNXBMFYSA-N 393.443 3.681 0 40 GHAB CCCCOC(=O)c1ccc(OC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 15196142 KNORCOKUANIITA-UHFFFAOYSA-N 397.406 3.891 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=S)n(-c3ccccc3OC)c2c1 16678172 XVLNXOOGAAATLM-UHFFFAOYSA-N 391.518 3.727 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2C)c(OC)c1 19239642 ZDJBNMYYZPAZQQ-IBGZPJMESA-N 392.459 3.775 0 40 GHAB Cc1cc(CN2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)C[C@@H]32)cc(C)c1O 19570014 DLMNOYLPQDCXDQ-CTNGQTDRSA-N 382.479 3.885 0 40 GHAB COCc1nn2c(O)cc(COc3ccc(OC)cc3)nc2c1-c1ccccc1 19594223 YGSSVEUSKBKNKZ-UHFFFAOYSA-N 391.427 3.836 0 40 GHAB CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(Cc2ccnc3ccccc23)C1 19739194 MHCMIALISSRTFU-QHCPKHFHSA-N 392.503 3.527 0 40 GHAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)C[C@@H]2CCCCO2)C1 12221164 BBKKRHCVOWZRKQ-WMZOPIPTSA-N 380.492 3.628 0 40 GHAB COC(=O)c1ccc(CCC2CCN(C(=O)c3cnn(C(C)C)c3)CC2)cc1 12220638 OVEKQYQJILYYLF-UHFFFAOYSA-N 383.492 3.736 0 40 GHAB C/C=C(/C)C(=O)O[C@H](C)[C@H](OC(=O)/C(C)=C\C)c1cc(OC)c2c(c1)OCO2 14589643 YIFLQBNCXIFWEL-SZJRRGNISA-N 390.432 3.872 0 40 GHAB biogenic,in-vitro Cc1cc(NC(=O)COC(=O)COc2ccccc2C)ccc1Br 6886889 NFDKUXKQLPIRCP-UHFFFAOYSA-N 392.249 3.627 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 4854365 FAPVHROMXQFROK-FQEVSTJZSA-N 379.391 3.993 0 40 GHAB c1cc(-c2cnc3nc(C4CCN(CCN5CCCC5)CC4)ccc3c2)ccn1 2086889792 GVAOLZHAHKIOIE-UHFFFAOYSA-N 387.531 3.967 0 40 GHAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1OCC(=O)O 4024309 FTSRBGKLGZGENQ-UHFFFAOYSA-N 396.395 3.913 0 40 GHAB biogenic O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1)c1ccccc1 40049322 QGJOYBUBISGHDB-NRFANRHFSA-N 384.439 3.543 0 40 GHAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1 40050407 WXIVEXNYZLQPJI-BJMVGYQFSA-N 388.832 3.787 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40129702 JQGBOQISAJEHKT-LBPRGKRZSA-N 397.281 3.798 0 40 GHAB Cc1ccccc1CCNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 30995131 ARIKCERIPWELOV-UHFFFAOYSA-N 380.275 3.782 0 40 GHAB CCOc1ccc(N2C(=O)C[C@@H](Cc3ccc(Br)cc3)C2=O)cc1 100538943 UDVACDMBVMFRSO-CQSZACIVSA-N 388.261 3.970 0 40 GHAB COc1ccc(C2=C[C@H](c3ccccc3Cl)n3nc(CCCO)nc3N2)cc1 100806508 IUAIGXRURCACJM-LJQANCHMSA-N 396.878 3.921 0 40 GHAB COc1ccc(C)cc1NC(=O)CSc1nnc(NCc2ccco2)s1 17982820 SXEHRENJCTZQOO-UHFFFAOYSA-N 390.490 3.791 0 40 GHAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cccc3cccnc23)CC1=O 7979553 IBJJDCMCPSFCQN-INIZCTEOSA-N 375.428 3.543 0 40 GHAB Cc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 829792 AHZQJULNUKACTJ-UHFFFAOYSA-N 394.496 3.507 0 40 GHAB O=C(CCS(=O)(=O)Cc1csc(-c2ccccc2)n1)Nc1ccccc1 32796924 UACDMWSMSMIQBJ-UHFFFAOYSA-N 386.498 3.754 0 40 GHAB CC1CCN(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)CC1 102239182 JUQUNVMYLWJKLP-QAQJPARQSA-N 398.341 3.522 0 40 GHAB C[C@H]1CN(Cc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)C[C@@H](C)O1 21548636 XDUYYHVIOXXGBU-TXEJJXNPSA-N 389.908 3.914 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1C(=O)N[C@@]2(c3ccccc3)C[C@@H]1c1ccccc1O2 4368191 FTBQIMXPMGDEID-ZYKOEDHHSA-N 384.435 3.790 0 40 GHAB O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 7398707 CCUOKOIXDNOCSJ-CYBMUJFWSA-N 380.341 3.514 0 40 GHAB Cc1ccc(-n2c(SC[C@@H]3CNC(=O)O3)nnc2-c2ccccc2)cc1C 2656118 ZHUCHFCHNVYIMZ-KRWDZBQOSA-N 380.473 3.752 0 40 GHAB Cc1ccc(SCCN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 2639093 UEOIQKUYVHKASU-IBGZPJMESA-N 379.485 3.732 0 40 GHAB CCc1ccccc1NC(=O)CNC(=O)c1cc(C2CC2)nn1-c1ccccc1 8073047 XJBACBCBHVMBDD-UHFFFAOYSA-N 388.471 3.681 0 40 GHAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NC[C@H](c1cccs1)N1CCCC1 29929536 DGWMLYIXPPHHPD-CTDFXDFQSA-N 392.528 3.900 0 40 GHAB CCCOc1ccc(N2C(=O)[C@H]3[C@H](CCC)N(c4ccccc4)O[C@H]3C2=O)cc1 102698319 GQPKHYLBDZZBAC-PCCBWWKXSA-N 394.471 3.954 0 40 GHAB CC(=O)c1cc2c(N)c(C(=O)Nc3cccc4nsnc34)sc2nc1C 32929444 CUICZSPYUPVUDV-UHFFFAOYSA-N 383.458 3.647 0 40 GHAB O=C(CSc1ccc(Cl)cc1)OCC(=O)c1ccc2c(c1)OCCO2 8039321 CQGXAYWJMFWMIT-UHFFFAOYSA-N 378.833 3.629 0 40 GHAB COc1ccc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)cn1 10368153 IHCWPZAXHBNSEQ-UHFFFAOYSA-N 377.429 3.652 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc(Br)cc2)c1 8355339 MNCOQFHJWMYLNX-LBPRGKRZSA-N 394.265 3.723 0 40 GHAB CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)Cc3ccc(C)c(C)c3)CC2)nn1C 100687635 LSVNAUDWXKDJBM-TYKWCNGQSA-N 396.579 3.731 0 40 GHAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(Cl)cc2)n2nnnc2N1 646474 GDBRZJLNZGAIGO-KRWDZBQOSA-N 380.839 3.563 0 40 GHAB Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1ccc(Cl)cc1F 55595508 QPBMEDDQQPBBTD-UHFFFAOYSA-N 382.844 3.937 0 40 GHAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)[C@H]1CC(=O)N(C2CCCC2)C1 8131703 ARYLRWRZPOTTKS-MGPUTAFESA-N 386.492 3.884 0 40 GHAB CN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccc(F)c(F)c1 55021456 ZBSJFIYYBVLGCT-UHFFFAOYSA-N 392.406 3.522 0 40 GHAB COc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1F 56811147 OGZCBNIZWHOSAF-OAHLLOKOSA-N 391.462 3.808 0 40 GHAB CCCCn1c(SCC(=O)c2ccc(S(C)(=O)=O)cc2)nc(C)c1C 26122030 CMCFCOUGYDPSRT-UHFFFAOYSA-N 380.535 3.679 0 40 GHAB C[C@@H](NC(=O)c1cccs1)C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 58224996 XTFJHHKKQQIDFD-BEFAXECRSA-N 379.485 3.509 0 40 GHAB C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)C2(c3ccc(Br)cc3)CC2)C1 58430567 ONNHNLNWPYAMJC-OWCLPIDISA-N 393.369 3.963 0 40 GHAB O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccc(Cl)c(Cl)c1 10959006 CKEIOPPBGJZJOP-UHFFFAOYSA-N 396.299 3.717 0 40 GHAB COc1cc2c(cc1OC)C(=O)[C@H](S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 20723190 QDSINYAFMNAQKN-LJQANCHMSA-N 388.485 3.583 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1F 12809523 SGWOTDFKCFXPOJ-DLBZAZTESA-N 383.467 3.812 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CSc3nnc4ccccn34)n2)cc1 3417981 XFQJAMGLQQPBIV-UHFFFAOYSA-N 381.486 3.892 0 40 GHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O 12976236 VWWWBHWJRFUMDZ-LPHOPBHVSA-N 393.270 3.884 0 40 GHAB O=C(Nc1cccc2ncccc12)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12933946 XYBCIWMWRXSTOE-MRXNPFEDSA-N 377.419 3.865 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ncc(-c2ccccc2)o1 12972185 DQVMAXBCAOTOQH-UHFFFAOYSA-N 381.407 3.510 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CCCC3)c2)cc1 20481967 ZZRKEQORXFTLLQ-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB Cc1coc2cc3oc(=O)c(CC(=O)NC[C@H](O)c4ccccc4)c(C)c3cc12 4086577 HPPGCGBDWWGGOV-IBGZPJMESA-N 391.423 3.548 0 40 GHAB biogenic O=C(NCc1cccnc1)c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1 49546569 MBBPMFSCWVGCDC-UHFFFAOYSA-N 395.825 3.781 0 40 GHAB COc1ccc(CCc2nn3c(-c4ccccc4F)nnc3s2)cc1OC 13690335 XLGWHYJEONLTRY-UHFFFAOYSA-N 384.436 3.794 0 40 GHAB CCOc1ccc(CC(=O)N(c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)cc1 5071152 GSDXULCKOXHWIH-FQEVSTJZSA-N 399.512 3.589 0 40 GHAB O=C1C[C@]2(CC(c3ccc(Cl)cc3Cl)=NO2)C(=O)N1c1ccc(F)cc1 5071161 WPGUYPJHDYSWBY-GOSISDBHSA-N 393.201 3.959 0 40 GHAB COc1cc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)cc(OC)c1 6180696 OZMYCGMPTAVXBP-XSFVSMFZSA-N 392.411 3.706 0 40 GHAB O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)N1CCNC1=O 5255518 BPGZSTBNOMHPFP-UHFFFAOYSA-N 390.515 3.511 0 40 GHAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1C1CC1 4468544 AYNGQDOLIDLHJZ-OAQYLSRUSA-N 399.878 3.743 0 40 GHAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)c(C(=O)O)c1 4550499 LFCVNZIIPIVZFK-UHFFFAOYSA-N 383.256 3.747 0 40 GHAB COc1cc(C)c(CN2CCN(C(=O)/C=C/c3ccccc3C)CC2)cc1OC 14238137 HDMZCNKRMCXYLH-MDZDMXLPSA-N 394.515 3.678 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)c2ccc[nH]2)nnc1-c1cccnc1 6547650 QDQZBYWORAEBPH-UHFFFAOYSA-N 375.457 3.941 0 40 GHAB CCOC(=O)c1cc(NCc2ccccc2OCC)ccc1N1CCOCC1 4705558 OLJMXWXXYWHSGS-UHFFFAOYSA-N 384.476 3.711 0 40 GHAB O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1C1CCCC1)Nc1ccccc1 4738712 FNJFYVSYHPNTDL-IBGZPJMESA-N 377.444 3.795 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccc(C)cc1 4736453 OZSCHGVDXSWCOL-LLVKDONJSA-N 388.522 3.553 0 40 GHAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1CCOc1ccc(Cl)cc1 5679329 PYLHGOMZCLNTEO-SFHVURJKSA-N 376.865 3.564 0 40 GHAB CCOc1ccc(-n2c(=O)c3sccc3n(Cc3ccc(C)cc3)c2=O)cc1 4877834 HOQMVCXJJGYVLX-UHFFFAOYSA-N 392.480 3.969 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCc1ccc2c(c1)OCO2 8704527 GLGFDHOJMKMQRQ-UHFFFAOYSA-N 387.798 3.632 0 40 GHAB CCc1ccc(-n2c(S[C@H](C)C(=O)NC3CC3)nc3ccccc3c2=O)cc1 5994507 FAMMJAIEXZGLCW-CQSZACIVSA-N 393.512 3.707 0 40 GHAB Cc1ccc(CSc2nnc(-c3cc(-c4ccc(C)cc4)n[nH]3)n2N)cc1 9015509 OTJYTEJRQJCKOS-UHFFFAOYSA-N 376.489 3.958 0 40 GHAB CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(C)cc(C)c2)c1 7389909 YYMZFXAHFAVZCZ-UHFFFAOYSA-N 382.460 3.569 0 40 GHAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCc2ccccc2C1 7779750 WCUOPLIPKYLVBC-UHFFFAOYSA-N 381.447 3.766 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 9237402 ZYTIPDGQRYGXDR-RTBURBONSA-N 393.516 3.910 0 40 GHAB Cc1cc(=O)c(C(=O)Nc2cc(F)ccc2F)nn1-c1ccccc1Cl 19678948 MYMKVXGIFLNLHA-UHFFFAOYSA-N 375.762 3.725 0 40 GHAB NC(=O)c1cccc(CN2CCC3(CC2)C[C@@H]3c2nnc(-c3ccccc3)o2)c1 84569098 AITZKMGYSIPQTI-LJQANCHMSA-N 388.471 3.605 0 40 GHAB COCCOc1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)cc1F 95458197 LMLCABSTQRRWIB-UHFFFAOYSA-N 387.455 3.733 0 40 GHAB COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)Nc2cccc(C(C)C)c2)C1 95999231 JEVWSNKZWJETER-MRXNPFEDSA-N 399.495 3.530 0 40 GHAB O=C(O)COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1 214323202 MPSNLNGIZXZKCX-CXUHLZMHSA-N 387.388 3.526 0 40 GHAB O=S1(=O)C[C@H]2N=C(SCc3ccccc3Cl)N(c3ccccc3)[C@H]2C1 32640445 RSDOBKJPGAIIIA-SJORKVTESA-N 392.933 3.615 0 40 GHAB COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCF 60239065 BEMJANRMADTXFH-UHFFFAOYSA-N 386.511 3.794 0 40 GHAB O=c1c(-c2nc(-c3ccncc3)no2)cccn1Cc1c(F)cccc1Cl 77100853 GLNUCQKYTPRRGP-UHFFFAOYSA-N 382.782 3.801 0 40 GHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@@H]2C[C@H]2C)C1 72388987 RMHZSVVLFVSZEP-HFXUHXBXSA-N 396.556 3.968 0 40 GHAB COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 72362122 BQWGIEWKWACCNL-QGZVFWFLSA-N 390.443 3.692 0 40 GHAB CCN(c1ccc2sc(C(=O)O)cc2c1)S(=O)(=O)c1ccc(OC)cc1 40350787 NRXAQVDJMSZAFX-UHFFFAOYSA-N 391.470 3.823 0 40 GHAB COc1ccccc1-c1csc(-c2nnn(-c3cc(F)ccc3F)c2N)n1 49001845 PNLJMXTYBSURFR-UHFFFAOYSA-N 385.399 3.927 0 40 GHAB COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)o2)cc1 222767015 NKWVEWZXEAUVLH-RBUKOAKNSA-N 393.468 3.731 0 40 GHAB CN(c1cccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c1)S(C)(=O)=O 222419784 RBTSACWFOCJYLW-UHFFFAOYSA-N 388.489 3.656 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 225008613 FOVDSKMNQBHWLF-RTBURBONSA-N 382.504 3.706 0 40 GHAB Cc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)c(F)c1)CC3 49003220 GUJLVXLALNZJLF-UHFFFAOYSA-N 393.462 3.589 0 40 GHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1Cl 224768341 VRNYRXBWXUMSMW-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)ccc1C 225661725 BPQAFHFVPFZRBO-LJQANCHMSA-N 375.490 3.847 0 40 GHAB O=C(CCc1ccc2c(c1)OCCO2)NCc1cccc(CN2CCCCC2)c1 224695536 KIIZOXJGUHJSQG-UHFFFAOYSA-N 394.515 3.693 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1C 224629836 AVXGLVFIAJEHPP-NRFANRHFSA-N 396.531 3.668 0 40 GHAB O=C(COc1cccc2c1CCCC2)NCC1(c2ccccc2)CCOCC1 222943523 QKYXNEHXRANQEO-UHFFFAOYSA-N 379.500 3.809 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2snnc2-c2cccc(OC)c2)cc1 225766909 LVGSSLYYEYOLEJ-UHFFFAOYSA-N 383.429 3.643 0 40 GHAB CC(C)N(C)Cc1ncn2c1CN(C(=O)c1cccc(C(F)(F)F)c1)CCC2 96259245 NMHRRVONAPJASI-UHFFFAOYSA-N 394.441 3.788 0 40 GHAB O=C(NCc1ccco1)c1ccnn1-c1ccc2ccc(-c3ccncc3)cn12 96155261 YEWDYORIUMZQBS-UHFFFAOYSA-N 383.411 3.710 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)nc(N)n1 257241305 HXOMWXDEEBXQTF-KRWDZBQOSA-N 397.866 3.577 0 40 GHAB Cc1cccc2nc(C(=O)N3C[C@H]4[C@@H](Oc5cccc(F)c5)CC[C@H]4C3)cn12 257286239 PKVQSYFTOOSTSV-CVAIRZPRSA-N 379.435 3.711 0 40 GHAB O=C(N1CCC[C@H](Cc2ccccn2)C1)C1(Cc2ccccc2)CCOCC1 257326872 WYYNHUWPALUALM-OAQYLSRUSA-N 378.516 3.902 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)cn1 257325762 WUHKKOLAOYDJPF-QGZVFWFLSA-N 395.434 3.828 0 40 GHAB COc1ccc([C@@H](CNC(=O)[C@H]2CCCN2C)c2c[nH]c3ccccc23)cc1 588921787 ZKYBIOIWJFTICI-DENIHFKCSA-N 377.488 3.519 0 40 GHAB CN1C(=O)N[C@](C)(c2ccc(NCc3csc(C(F)(F)F)c3)cc2)C1=O 623560849 UUEFHFKHGPRQEK-MRXNPFEDSA-N 383.395 3.776 0 40 GHAB Cn1cc(-c2ccco2)nc1CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 90606988 CENLSWNORHPSIQ-UHFFFAOYSA-N 387.867 3.850 0 40 GHAB COCc1cnc(NC(=O)N2CC(Cc3ccccc3Br)C2)s1 626560835 OSOBJEAVRNFWPA-UHFFFAOYSA-N 396.310 3.758 0 40 GHAB O=C(NC[C@@H](C[C@@H]1CCOC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 685944994 NFNSQJCGCBLTDW-JKSUJKDBSA-N 395.455 3.653 0 40 GHAB Cc1cccc(NC(=O)CN2CCC(c3nnc(C(F)(F)F)o3)CC2)c1C 77198035 DOVPWONNELKKNT-UHFFFAOYSA-N 382.386 3.523 0 40 GHAB O=C(Nc1ccc(F)cc1)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549160952 CENURKPWQYLSNI-UHFFFAOYSA-N 383.423 3.556 0 40 GHAB COc1ccc(OC)c(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1 5252962 MVPFIESEBRFTDT-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB O=C(NC1CCCCC1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583434 SOZGCSLJULZKAZ-UHFFFAOYSA-N 398.528 3.891 0 40 GHAB Cc1ccc(C(=O)NC(=S)/N=c2\[nH]c3ccc(O)cc3s2)cc1Cl 17077303 AWHJSICWFDRFLL-UHFFFAOYSA-N 377.878 3.512 0 40 GHAB COc1cc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc(OC)c1OC 17335660 SVSQZVZBCKOWEG-UHFFFAOYSA-N 393.823 3.779 0 40 GHAB CC(C)(C)NC(=O)CC1(C(=O)OCC(=O)Nc2ccc(Cl)cc2)CCCC1 19357026 JDQYHWPOHLGMNE-UHFFFAOYSA-N 394.899 3.687 0 40 GHAB CC(C)S(=O)(=O)N1[C@H](COc2cccc(C(F)(F)F)c2)[C@H]2CC[C@@H]1C2 19450982 GYWFUMLDKAOKGH-JGGQBBKZSA-N 377.428 3.675 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(CC2CC2)C1 19591653 WHNCHZXUDOFINP-DEOSSOPVSA-N 378.516 3.753 0 40 GHAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2Cc2cnn(C)c2)n1 19690120 KVIZXDDEOLWRFE-IBGZPJMESA-N 396.926 3.934 0 40 GHAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(NCc3ccccc3C)n2)c1 12337962 HTSGPMBKPVXWBP-VQTJNVASSA-N 390.487 3.582 0 40 GHAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)C1(c2cccs2)CCCC1 390831928 WAPUBSSJTVIAIO-LBPRGKRZSA-N 398.454 3.593 0 40 GHAB CC(C)CN1C(=O)C2(CCN(C3CCOCC3)CC2)C[C@H]1Cc1ccccc1 2037846161 SDOXUHJGINLMDJ-JOCHJYFZSA-N 384.564 3.747 0 40 GHAB O=C1OCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1cccc(Br)c1 1430750 BSHDYKOPGLPZBT-CYBMUJFWSA-N 390.258 3.842 0 40 GHAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccc(Cl)cc3)C2)cc1 4175729 MPBFIDDFCGZAMS-SFHVURJKSA-N 386.835 3.891 0 40 GHAB O=C(Nc1ccc(Br)cc1F)N[C@H]1CC(=O)N(c2ccccc2)C1 4359911 FDFGKADLOYKYFX-LBPRGKRZSA-N 392.228 3.515 0 40 GHAB CC(=O)c1s/c(=N\c2cccc(Cl)c2)n(CCCN2CCOCC2)c1C 4940156 JFBLFIHNNKOKOX-VZCXRCSSSA-N 393.940 3.669 0 40 GHAB COc1cc(OC)cc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)c1 5137442 BHMRYPATKNZMAJ-UHFFFAOYSA-N 386.448 3.939 0 40 GHAB CCOc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc(C)cc2)cc1 11024013 JSTPRXSSVZBUCN-JOCHJYFZSA-N 396.512 3.989 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c1 23321600 COAUBONFHFVYAG-UHFFFAOYSA-N 397.500 3.922 0 40 GHAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1c(F)cccc1Cl 207998406 HSOZATLOPHAPAM-ZDUSSCGKSA-N 387.798 3.768 0 40 GHAB CCOc1ncccc1C(=O)OCc1cc(-c2ccc3c(c2)C[C@H](C)O3)on1 38758118 AZUANFIQGNHKIR-ZDUSSCGKSA-N 380.400 3.816 0 40 GHAB O=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccc2nsnc2c1 43939707 NGZWFWNOHQGFFQ-UHFFFAOYSA-N 379.470 3.913 0 40 GHAB Cc1cc(O[C@H]2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C2)nc(C)n1 585147316 APROKILJXNPHHU-KRWDZBQOSA-N 389.883 3.584 0 40 GHAB COC(=O)c1ccc(CS[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 15490334 RPBSBBIRGWOBNH-CYBMUJFWSA-N 389.473 3.751 0 40 GHAB CCCCn1c(=O)c(C(=O)Nc2nnc(CCC)s2)c(O)c2ccccc21 100707734 KZSVKKYMYYVWHY-UHFFFAOYSA-N 386.477 3.564 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)C[S@@](=O)Cc1csc(-c2ccc(F)cc2)n1 71801145 UQWXRKCMCGZKLU-FRUQJNMISA-N 394.537 3.893 0 40 GHAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N1CCCC[C@@H]1C 905043 LUHDOCLLGPYTNX-INIZCTEOSA-N 387.553 3.712 0 40 GHAB CN(C)c1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)cc1 933075 ZODCDJJQDNRISI-UHFFFAOYSA-N 384.530 3.977 0 40 GHAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)NCc1ccccc1)c1ccc(F)cc1 1377998 NBOHAIAHSJRJSW-NHCUHLMSSA-N 395.478 3.851 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(NC(=O)C2CCC2)s1 1381628 KIEMIOWCFPGGIO-UHFFFAOYSA-N 376.507 3.570 0 40 GHAB O=C(Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12)c1ccccc1 21486901 OORGOYKNVOPPRY-UHFFFAOYSA-N 382.847 3.940 0 40 GHAB CC(C)Cn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1ccco1 3428756 UWEGKJRATPRING-UHFFFAOYSA-N 385.445 3.898 0 40 GHAB CCCSc1nnc2n(Cc3ccccc3OC)c(=O)c3ccccc3n12 3473482 LNMHMCNOFWEORR-UHFFFAOYSA-N 380.473 3.603 0 40 GHAB CCOc1ccccc1CN(C[C@@H](C)O)C(=O)CCn1ccc2ccccc21 32802972 ULEFQDLIKALZMN-GOSISDBHSA-N 380.488 3.840 0 40 GHAB CCOc1ccc2nc(NS(=O)(=O)c3cc(OC)ccc3OC)sc2c1 2685040 MBRONUPFNOKXQZ-UHFFFAOYSA-N 394.474 3.513 0 40 GHAB CCCOc1ccc(/C=C2\C(=O)N(CCC)C(C)=C2C(=O)OC)cc1OCC 6654658 ZJOZHQJCBIJMTL-LGMDPLHJSA-N 387.476 3.957 0 40 GHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nn2c(-c3ccccc3)nnc2s1 6818248 QFLXFYWBTWCHLD-OAHLLOKOSA-N 379.445 3.649 0 40 GHAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc(N)s1 7535309 HKYLQIZQTXJQHC-UHFFFAOYSA-N 390.534 3.840 0 40 GHAB COc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccccc2)cc1 8476305 IWMKCGZDVUEHLB-UHFFFAOYSA-N 384.439 3.873 0 40 GHAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1)NC1CCCCC1 8623605 WUJIFJIBDWLYHB-OALUTQOASA-N 381.520 3.949 0 40 GHAB biogenic,in-vitro Cc1cccc(NC(=O)[C@H](C)n2ncc(-c3ccc(Cl)cc3)nc2=O)c1C 33324668 BJUHTFIICQWXQJ-AWEZNQCLSA-N 382.851 3.775 0 40 GHAB CCc1c(C)sc2ncn3nc(-c4c(Br)c(C)nn4C)nc3c12 2809035 DKZPVWDUUYEHQX-UHFFFAOYSA-N 391.298 3.681 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2coc3ccccc3c2=O)C1=O)c1ccccc1 9233946 RBWQPQDCBWRGNP-VCHYOVAHSA-N 391.404 3.712 0 40 GHAB CC(C)NC(=O)c1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23 802975 MSNSYJPXALMOPZ-UHFFFAOYSA-N 387.439 3.577 0 40 GHAB C[C@H]1CN(CCCNC(=O)c2cc3c(s2)-c2ccccc2CC3)C[C@H](C)O1 23509025 VUTXEHARMAKYLU-HOTGVXAUSA-N 384.545 3.743 0 40 GHAB COc1ccc(S[C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 28298840 DCCIDZXBLIGULU-CQSZACIVSA-N 375.490 3.852 0 40 GHAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)CCc2ccccc2)CC1 24820260 NZMGMPONVPNLKS-GOSISDBHSA-N 390.487 3.575 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](Cc1ncc[nH]1)c1ccccc1 12506775 KELYGALCHBIJHW-QGZVFWFLSA-N 389.484 3.950 0 40 GHAB COCc1cccc(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)c1 25334859 KHEZZWRIMZZOOV-SFHVURJKSA-N 376.403 3.504 0 40 GHAB CN(C)[C@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccsc1 25330487 MWQYUEVZENGFPU-HXUWFJFHSA-N 380.517 3.844 0 40 GHAB COc1cccc(C(=O)OCCOc2ccc(Br)cc2)c1OC 3288425 BOWFNHQOFCTEBD-UHFFFAOYSA-N 381.222 3.702 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 113950894 BECPOGPABPMASL-HXUWFJFHSA-N 396.487 3.572 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230774 BCEJPYYNFFNAMJ-UHFFFAOYSA-N 390.505 3.532 0 40 GHAB COc1ccc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OC 20488476 WDYYUHSAXMRDGW-UHFFFAOYSA-N 386.473 3.561 0 40 GHAB CCOc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c(OCC)cc1C 27824192 YJTNTVRBOWEWMP-OAHLLOKOSA-N 375.490 3.932 0 40 GHAB CCOc1cccc(NC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)c1 113950117 AIOCEPLKRCWEOT-LJQANCHMSA-N 390.505 3.577 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCOCC2)cc1 28286814 CPOJCCYKKBYFCQ-FQEVSTJZSA-N 396.462 3.992 0 40 GHAB COC(=O)c1ccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)cc1 3311334 BUTBBAAJLYFAIN-UHFFFAOYSA-N 382.199 3.576 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)COc1ccc2ccccc2c1 10900855 XIQXUZFIRBFNFF-UHFFFAOYSA-N 390.483 3.714 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nnc(-c2ccco2)s1 48260333 WLCZZQNXYYPDGU-HNNXBMFYSA-N 380.429 3.701 0 40 GHAB Oc1cccc(-c2nc(N3C[C@@H]4CC[C@H](C3)O4)c3cnn(-c4ccccc4)c3n2)c1 59254998 XHIBKBRCVQLOJC-KDURUIRLSA-N 399.454 3.556 0 40 GHAB Cc1ccc(NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c(Cl)c1 12747163 OQEODHWCTKIILD-UHFFFAOYSA-N 376.247 3.933 0 40 GHAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccc(OC(F)(F)F)cc1 29286111 LNKTYMXIFPPSII-UHFFFAOYSA-N 378.350 3.960 0 40 GHAB O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@@H]1COc2ccccc2O1 12788850 PTFKOOUQSVEVOE-FCHUYYIVSA-N 385.423 3.609 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCCN(C(C)C)C(C)C 48342285 LXHITOYMJMTUAM-UHFFFAOYSA-N 390.959 3.920 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)Nc3cnc4c(cnn4C(C)C)c3)CC2=O)cc1 12808240 SYAVBELPUWXFAH-KRWDZBQOSA-N 391.475 3.566 0 40 GHAB CCN(CC)[C@H](CNC(=O)NCCc1cccc(F)c1)c1cccc(OC)c1 12979184 NSDNFEIBZBUKNG-OAQYLSRUSA-N 387.499 3.759 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)cc1 13259958 UBUQBALQWUPQND-KRWDZBQOSA-N 396.468 3.553 0 40 GHAB biogenic Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)N(c2cc(C)ccc2C)C(=O)N=C1O 9089667 MUHMMJUVRRXXHY-QFIPXVFZSA-N 377.444 3.714 0 40 GHAB C[C@@H](OC(=O)/C=C/c1nc2ccccc2s1)C(=O)N1CCc2ccccc21 6174564 JZALKOWTBNPCLY-PLSXKVAHSA-N 378.453 3.831 0 40 GHAB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 5234803 ZEUFTMUJVVNNTH-HNNXBMFYSA-N 387.443 3.598 0 40 GHAB CC1CCN([C@@H](C)CNC(=O)N(C)Cc2cc(Br)cs2)CC1 65479527 CZKYVSNSVJEJIQ-ZDUSSCGKSA-N 388.375 3.772 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)CCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 24523023 UJNBMDBZMWBQHZ-PHIMTYICSA-N 383.275 3.769 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(F)c1 14319351 QFAVWJNRYXMGRC-UHFFFAOYSA-N 378.806 3.783 0 40 GHAB O=C(/C=C/c1cccs1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 14678567 QYLBAVHXWBBXOS-ONEGZZNKSA-N 386.786 3.793 0 40 GHAB O=C(O)C[C@H](c1ccc(OC2CCCC2)cc1)N1C(=O)c2ccccc2C1=O 4745761 DVLCDOBNADJOKY-LJQANCHMSA-N 379.412 3.820 0 40 GHAB CCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(CC)cc3)nc2cc1C 408626553 ICLVROGKKOKHSD-UHFFFAOYSA-N 381.505 3.904 0 40 GHAB Cc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c2c1 5932048 VKJCQOMTRBPLMG-HNNXBMFYSA-N 396.516 3.827 0 40 GHAB Fc1ccc(-c2cc3c(N4CCN(C5CCCCC5)CC4)nccn3n2)cc1 67284995 DAUBKHBLZYGJSF-UHFFFAOYSA-N 379.483 3.990 0 40 GHAB CCOC(=O)Cn1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 7542946 WLYLGBUBZDWPSN-CQSZACIVSA-N 397.862 3.773 0 40 GHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCc4cc(=O)n5ccsc5n4)cc3c2C1 7778484 FIQNONMLDPYNHF-GFCCVEGCSA-N 393.468 3.719 0 40 GHAB O=C([C@H](Sc1nnnn1-c1cccc(Cl)c1)c1ccccc1)N1CCCC1 7745530 FUSJHGIIRLUFAD-QGZVFWFLSA-N 399.907 3.772 0 40 GHAB O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 7777359 NSLUGHLXLMWTRH-UHFFFAOYSA-N 399.497 3.537 0 40 GHAB COC(=O)c1sc(NC(=O)CSc2ccc(C)cc2)c(C(=O)OC)c1C 16484121 BMHPXRSXEXQPDJ-UHFFFAOYSA-N 393.486 3.669 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)ccc1Br 8105751 PRUXBOGTGCZNHY-UHFFFAOYSA-N 398.278 3.576 0 40 GHAB Cc1ccc(/C=C/c2nc3s/c(=C\c4ccc(Cl)cc4)c(=O)n3n2)cc1 16750616 MMSDPZXEVPQEJF-JUBDITTISA-N 379.872 3.831 0 40 GHAB Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 84012367 ULHSLABBGZJHGE-BQYQJAHWSA-N 391.859 3.615 0 40 GHAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCc2ccccc2[C@@H]1CO 95444589 ZFPGZKVNLQBNER-IBGZPJMESA-N 380.419 3.532 0 40 GHAB CCCCC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccc(OC)cc2)C1 95998766 ISVWJPJJKUYHPE-MRXNPFEDSA-N 384.480 3.567 0 40 GHAB Cc1sc(Br)cc1S(=O)(=O)N1CCOc2cccc(F)c21 95965576 DFIBTUIBOXBFMW-UHFFFAOYSA-N 392.271 3.546 0 40 GHAB CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C(C)C)cc3n2)cc1 408619056 FTDGNFMDXFAYEO-UHFFFAOYSA-N 397.504 3.597 0 40 GHAB CC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(c1ccccc1F)S(C)(=O)=O 113967195 VHTLGQZLGWCQOY-QGZVFWFLSA-N 378.469 3.626 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)N1CCCC1 408590465 GYMQRCWJHOBXGY-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB Cc1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)c1C 32893276 NFDDKMBDZVECKL-UHFFFAOYSA-N 396.516 3.795 0 40 GHAB CCCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 408555732 FUDMMOBJEPWHJD-UHFFFAOYSA-N 390.505 3.724 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@H]1c1cncc(-n2ccnc2C(C)C)n1 72378615 KRZFADGHDGNBMV-HNNXBMFYSA-N 382.493 3.528 0 40 GHAB Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2CC(=O)N2CCCC2)n1 72376840 RBMSNULJAFLWNC-GOSISDBHSA-N 399.926 3.529 0 40 GHAB C[C@@H]1CC(=O)c2c(OCC(=O)NCc3ccc(OC(F)F)cc3)ccc(F)c21 32883691 KTUHEJVFERVZLI-LLVKDONJSA-N 393.361 3.812 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 225083043 YPONFCMXTUWKGO-MOPGFXCFSA-N 396.531 3.878 0 40 GHAB Cc1cc(C)c(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c(C)c1 222655135 XVKLFARQYYMFDY-UHFFFAOYSA-N 392.496 3.936 0 40 GHAB CCOCCCC(=O)Nc1nc(-c2ccc([C@H](C)NC(C)=O)cc2)cs1 47064755 MIFOPWXAMNMSEA-ZDUSSCGKSA-N 375.494 3.762 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(SCC(C)C)s2)cc1Cl 225287329 DAYMZOVVBVBVCB-UHFFFAOYSA-N 393.943 3.749 0 40 GHAB CC[C@H](Oc1cccc2ccccc12)C(=O)NC[C@@H]1COc2ccccc2O1 225267282 ROGWYWZOMQEIIY-MJGOQNOKSA-N 377.440 3.953 0 40 GHAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(F)c2)c(Cl)c1Cl 223718071 ZXFACUXIQCJGBK-UHFFFAOYSA-N 378.252 3.962 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223753826 OBMNOSXUIWYPME-LJQANCHMSA-N 394.515 3.850 0 40 GHAB Cc1cc(C)cc(CSCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 223839389 SZNKIEBSYVJWSN-MRXNPFEDSA-N 391.558 3.818 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CN(C(=O)Nc2cccc(F)c2)CC12CCOCC2 96078704 QAFOFSADBKJVHN-IBGZPJMESA-N 397.450 3.725 0 40 GHAB Cc1ccccc1CN1CC[C@@]2(COCc3cnc(NCc4ccco4)nc32)C1 96080361 MYRFXKFUSRBYHS-QHCPKHFHSA-N 390.487 3.664 0 40 GHAB COCCn1c(C(=O)NCCc2cccc(F)c2)cc2c1c1ccccc1n2C 96146244 IMQAXLHXUBYSTC-UHFFFAOYSA-N 393.462 3.891 0 40 GHAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1ccc(C(F)(F)F)nc1 253402365 OEBKWAFTBPLQLI-INIZCTEOSA-N 398.431 3.889 0 40 GHAB CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cnccn1 257341944 ZMNAQLPEQKITAI-CFKFVRPNSA-N 390.531 3.565 0 40 GHAB C[C@@H](CC(=O)O)[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 253610272 KFMBVCVREUOCAU-WHMYBLBKSA-N 376.537 3.864 0 40 GHAB Cc1cc(Nc2cc(CC3CCN(C(=O)OC(C)(C)C)CC3)nc(C)n2)[nH]n1 257285649 PIDJRAKIQABRNT-UHFFFAOYSA-N 386.500 3.750 0 40 GHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1C1CC1 260918204 LFNGBGOPMADCPB-JRGCBEDISA-N 396.560 3.986 0 40 GHAB O=C(NCCn1ccc(-c2ccccn2)n1)C1c2ccccc2Oc2ccccc21 96098905 JVMFFTAZMZGYCQ-UHFFFAOYSA-N 396.450 3.999 0 40 GHAB N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)CCSc3ccccc3Cl)C2)C1 653191557 XRHJCXIPNOKFKW-INMHGKMJSA-N 382.957 3.567 0 40 GHAB COc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)c2cccnc12 56305716 KRVVISPOQYMRFE-UHFFFAOYSA-N 383.839 3.539 0 40 GHAB Cc1ccc(C2=N/C(=C\c3ccc(I)cc3)C(=O)O2)cc1 5002638 BMZBLQBEBBDZEQ-GDNBJRDFSA-N 389.192 3.944 0 40 GHAB Cc1cc(Br)c(NC(=O)CN2CCCCC2)c(Br)c1 5724702 CFXKXXXHQQKTLK-UHFFFAOYSA-N 390.119 3.944 0 40 GHAB COc1cc(-c2nc(C(=O)NCc3ccco3)c(C)s2)cc(OC)c1OC 11865744 FDHVQCIFUVWCCC-UHFFFAOYSA-N 388.445 3.667 0 40 GHAB CCCc1cc(C(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)no1 12242145 QSQCYKHXSZXSRD-UHFFFAOYSA-N 383.473 3.972 0 40 GHAB Cc1ccc(CN2CCc3nc4cc(-c5ccoc5C)nn4c(O)c3C2)s1 12667167 VVYQUUYAENTLLC-UHFFFAOYSA-N 380.473 3.932 0 40 GHAB C[C@H]1C=CC[C@H]2C(=O)N(c3ccc(OCC(=O)c4ccccc4)cc3)C(=O)[C@H]12 17987200 BCVYHLCHQZPGKH-NYSBEXSLSA-N 375.424 3.650 0 40 GHAB O=C(O)Cn1cc(C(=O)c2ccccc2F)c2ccnc(-c3cccnc3)c21 19347795 ZAAHZMDHUQNHPU-UHFFFAOYSA-N 375.359 3.553 0 40 GHAB CCCn1cc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)c(C)n1 19526034 BMSUZBGCNICWHU-KRWDZBQOSA-N 377.492 3.752 0 40 GHAB COc1cccc2ccc(CN[C@@H]3CCC(=O)N[C@H]3c3cc(F)cc(F)c3)nc12 19568481 ARITXJUDHAHPQF-NQIIRXRSSA-N 397.425 3.631 0 40 GHAB COc1cc(NC(=O)[C@H](c2ccc(F)cc2)N(C)C)ccc1-n1nc(C)cc1C 19655358 VGFHIOPHIOLCDL-NRFANRHFSA-N 396.466 3.878 0 40 GHAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 19693515 VBDBKXRUDXVRKD-QFIPXVFZSA-N 392.507 3.506 0 40 GHAB COc1cc2c(cc1-c1cncn1CCCn1nc(C)cc1C)OCCCO2 19720036 PJSVNLIICJMSQB-UHFFFAOYSA-N 382.464 3.624 0 40 GHAB Cc1cc(OC2CCN(C(=O)CCc3c(F)cccc3Cl)CC2)cc(=O)o1 206972297 HPCKSXBDPLXFMI-UHFFFAOYSA-N 393.842 3.743 0 40 GHAB CCc1cccc(C)c1NC1=NN=C(c2ccc3c(c2)CC(=O)N3C)CS1 12554730 HDJLOPBBOGMOSS-UHFFFAOYSA-N 378.501 3.995 0 40 GHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C(=O)CC2CCCC2)CC1 1888865763 SNGFPLBSINOMHY-UHFFFAOYSA-N 385.483 3.663 0 40 GHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C)c2nc3ccccc3nc21 14814912 ZCLHEOFFKIGRML-ZDUSSCGKSA-N 382.851 3.534 0 40 GHAB CCc1ccc2nc(N(Cc3cccnc3)C(=O)C3=COCCO3)sc2c1 4273210 KPSQNCQDDOYVBT-UHFFFAOYSA-N 381.457 3.675 0 40 GHAB Cc1ccc2sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)nc2c1C 4496289 JOOLBLHYJUQWSF-UHFFFAOYSA-N 392.477 3.855 0 40 GHAB CC(=O)Nc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)cc1 4689752 AJRDTVPAPAMIKF-IBGZPJMESA-N 382.460 3.888 0 40 GHAB Cc1cc(C)cc(C(=O)Nc2cccc(-n3c(C)nc4ncccc4c3=O)c2)c1 7509106 OAPFMCSSVNXOBX-UHFFFAOYSA-N 384.439 3.958 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1 15391281 ZKFHAQXAADTNAQ-HNNXBMFYSA-N 398.937 3.974 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CC 27818664 LQGROWJAGTXCKK-UHFFFAOYSA-N 389.502 3.607 0 40 GHAB CC(C)Oc1ccc(C(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)cc1 575612365 LZMXJFPEWCYYPZ-QHCPKHFHSA-N 383.488 3.518 0 40 GHAB O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1cccc(C(F)(F)F)c1 575613437 SASWVVJWRJGRFX-HXUWFJFHSA-N 393.405 3.750 0 40 GHAB CC(C)(C)c1cn2nc(OC[C@H]3CCN(c4nnc(C5CC5)s4)C3)ccc2n1 2298094963 KLJBYSQHSXPQLV-ZDUSSCGKSA-N 398.536 3.661 0 40 GHAB NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1cc(F)ccc1F 1514174 VFWNVDXHSVAIQV-PGMHBOJBSA-N 379.160 3.805 0 40 GHAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Br)o1 5252331 SDETVKGBXCPGKB-UHFFFAOYSA-N 389.249 3.984 0 40 GHAB CN1CCc2cc([C@@H](O)CNC(=O)C3(c4ccc(Cl)cc4)CCCC3)ccc21 96362475 IOQQWNYZZFPTKU-NRFANRHFSA-N 398.934 3.994 0 40 GHAB O=C1[C@@H]2[C@@H](N=NN2Cc2ccc(F)cc2Cl)C(=O)N1c1ccc(Cl)cc1 101167014 DMAODUWHGHUAPL-CABCVRRESA-N 393.205 3.626 0 40 GHAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)CCc2ccccc2)CC1 40086713 PYOYOARPKBQCBF-UHFFFAOYSA-N 394.559 3.943 0 40 GHAB O=C(N[C@H](CC(=O)N(C[C@H]1CCOC1)C1CC1)c1ccccc1)c1ccccc1 40107940 WGNCHRLKJAJTAZ-XMSQKQJNSA-N 392.499 3.575 0 40 GHAB CC(C)[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccccc1 1381299 PKPUXTHHTYYRQY-CYBMUJFWSA-N 387.288 3.948 0 40 GHAB CCOc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3nc(N)nc(O)c32)cc1 101916070 KVPHCJRMTGESDF-OAHLLOKOSA-N 386.411 3.712 0 40 GHAB Cc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2656518 OLANNXHNTSRHTE-UHFFFAOYSA-N 394.393 3.868 0 40 GHAB O=C(Nc1ccccc1C(=O)NCCCc1nc2ccccc2[nH]1)c1ccco1 21528410 XFHGCQDWHSLEPL-UHFFFAOYSA-N 388.427 3.771 0 40 GHAB O=S(=O)(Nc1ccc(-c2nnc3n2CCC3)cc1)C1=Cc2ccccc2CC1 32803700 GFGHILQPDQEDQN-UHFFFAOYSA-N 392.484 3.620 0 40 GHAB CC(=O)Nc1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 4349943 NNGSIRYZTNCUJO-UHFFFAOYSA-N 381.201 3.564 0 40 GHAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](CCC)[C@H]3C2=O)cc1 4936169 GQPKHYLBDZZBAC-HBMCJLEFSA-N 394.471 3.954 0 40 GHAB CCc1nnc2sc(-c3ccc(NC(=O)c4cccc(OC)c4)cc3)nn12 6169068 DKMJGVSEYKSXML-UHFFFAOYSA-N 379.445 3.676 0 40 GHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)c(Cl)c2)cc1 6880295 GEIVGJWJJJBNQY-UHFFFAOYSA-N 394.924 3.908 0 40 GHAB CCOC(=O)c1cccc(NS(=O)(=O)Cc2ccc(Br)cc2)c1 10112278 IRUMEYYDALFIJH-UHFFFAOYSA-N 398.278 3.568 0 40 GHAB Cc1ccccc1OCCCC(=O)N1CCC(c2nnc3ccccn23)CC1 32906369 JGAUCSIWJVIDJZ-UHFFFAOYSA-N 378.476 3.603 0 40 GHAB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)CC(C)(C)O4)C2=O)cc1C 10298656 BZCTZNKNUYPBGR-WQRHYEAKSA-N 390.439 3.683 0 40 GHAB C[C@@H](NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O)c1ccccc1 10360824 MOEZKLCWMHXISS-MRXNPFEDSA-N 388.533 3.628 0 40 GHAB CC[C@]1(c2ccc(C)cc2)NC(=O)N(Cc2nc(-c3ccccc3C)no2)C1=O 8075913 JYJMLTOANXDINT-JOCHJYFZSA-N 390.443 3.711 0 40 GHAB CC(C)NC(=O)c1ccc(COc2ccc(I)cc2)o1 675779 PMFCYFZCBASBMV-UHFFFAOYSA-N 385.201 3.601 0 40 GHAB COc1ccc(OC)c(CN2[C@H]3CC[C@H]2CC(NC(=O)c2cccc(F)c2)C3)c1 101256716 ULPGWWFRWJQMBZ-PMACEKPBSA-N 398.478 3.768 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H](c1ccccc1)c1nccn1C 29987004 ZJEKPRWSZLUBIP-QHCPKHFHSA-N 399.498 3.671 0 40 GHAB CCC(=O)Nc1ccc2nc(SCC(=O)NCc3ccco3)sc2c1 1063124 FLFNZWZOUYBROK-UHFFFAOYSA-N 375.475 3.646 0 40 GHAB O=C1[C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl 102897780 TYPSJEUQZVJDSR-ZFWWWQNUSA-N 395.629 3.939 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1ccccc1Br)c1cccc(F)c1 12549562 DCSPOBHLIKJBOW-MRXNPFEDSA-N 388.240 3.841 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cc(=O)[nH]c2ccccc12 55741959 HRWFBYZLHZRPNR-UHFFFAOYSA-N 389.455 3.797 0 40 GHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2cccs2)no1 176199134 XNUCKQXJRQVLTK-GFCCVEGCSA-N 377.853 3.925 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2ccsc2c1=O 26098971 LSXYURSQIJBMIG-UHFFFAOYSA-N 383.857 3.518 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=S)NC(=O)c1cccc(Br)c1 3281417 WWEGGMVJPPJCGT-LLVKDONJSA-N 375.291 3.915 0 40 GHAB Cn1cc(N2CCC[C@@H](N[C@H](c3ccc(Br)cc3)C3CC3)C2)cn1 108398679 GIBBAZVXLDNFTF-MJGOQNOKSA-N 389.341 3.892 0 40 GHAB CCc1ccc([C@@H](NCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)C(C)C)cc1 57661318 GDWQATQOGWZNEB-FQEVSTJZSA-N 396.491 3.621 0 40 GHAB NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 27226364 NEBLVFYLZVDDAX-HNNXBMFYSA-N 394.500 3.616 0 40 GHAB CSc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCCCCC1 26119510 QWVSXRAYCZXZJG-UHFFFAOYSA-N 396.578 3.599 0 40 GHAB Clc1ccc(-c2noc(CSc3nnnn3Cc3cccs3)n2)cc1 21738306 MPENFAMZIDXTIQ-UHFFFAOYSA-N 390.881 3.779 0 40 GHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1Cc2ccccc2O1 58412535 VBDPSNRHAFENFE-MRXNPFEDSA-N 393.270 3.784 0 40 GHAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1cncn1-c1ccc(F)cc1 48249392 LGASUPGIMBWULB-UHFFFAOYSA-N 393.466 3.717 0 40 GHAB CCOc1ccc([C@H](C)NC(=O)Cn2c(S)nnc2-c2cccs2)cc1 10978661 ZSIZDEXAEQRAFP-LBPRGKRZSA-N 388.518 3.571 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1 12766596 ZOOCCQWXYLBXCO-AWEZNQCLSA-N 383.517 3.905 0 40 GHAB O=C(Nc1ccncc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 12749116 KDDVXQNBYAYRPL-UHFFFAOYSA-N 393.877 3.850 0 40 GHAB Cc1nn(CCC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1Br 27969318 AOJSUXUXBNRWCM-MRXNPFEDSA-N 376.298 3.846 0 40 GHAB COCCn1c(C)cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)c1C 409126616 LQMVJRDFSCSZTC-UNOMPAQXSA-N 398.484 3.671 0 40 GHAB Cn1c(Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)n[nH]c1=S 12945790 HKLXGGPQLAUATH-UHFFFAOYSA-N 383.861 3.570 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 12985086 FBWXHDUQQRVSOZ-UHFFFAOYSA-N 381.234 3.731 0 40 GHAB O=C(NCc1ccccc1)C1CCN(C(=O)CCCOc2ccc(F)cc2)CC1 12980719 MPAWTUZZIOPTEE-UHFFFAOYSA-N 398.478 3.540 0 40 GHAB CC(=O)c1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 13004159 ILXAQLVCXSBHOY-UHFFFAOYSA-N 395.484 3.568 0 40 GHAB O=C(Nn1cnc2ccccc21)C1(c2cccc(C(F)(F)F)c2)CCOCC1 64786783 MNWICIOFHAUEOB-UHFFFAOYSA-N 389.377 3.874 0 40 GHAB COCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 6126477 NSMPXHVFFFTJPT-UHFFFAOYSA-N 380.444 3.685 0 40 GHAB COc1ccc(/C=C/C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1OC 408714404 PZZIALCCFUOBBQ-XYOKQWHBSA-N 393.443 3.734 0 40 GHAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944863 ASIDOIWFWVQRCY-QGZVFWFLSA-N 393.462 3.899 0 40 GHAB O=C(Nc1nnc(SCc2cccs2)s1)[C@@H]1COc2ccccc2O1 8755555 CRBJHFXJQVZEFH-ZDUSSCGKSA-N 391.499 3.670 0 40 GHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)N[C@@H]1CCCc2ccccc21 14136330 QFFOAEDRUNKROA-MRXNPFEDSA-N 381.457 3.725 0 40 GHAB CCCCn1c(S[C@H](C)C(=O)N[C@H](CCC)c2ccccc2)n[nH]c1=O 14247909 YKCTXZLJUXCLQN-GDBMZVCRSA-N 376.526 3.510 0 40 GHAB O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)c1ccc(O)cc1 9339158 GQLTWVPQQPGBCB-UHFFFAOYSA-N 394.500 3.544 0 40 GHAB Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)N(CCO)C3=O)c1 6753207 DNAHFMPBQQUHDA-JOCHJYFZSA-N 391.471 3.752 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccccc1C)S2 6812086 ISCBEURCXZPEKT-MSOLQXFVSA-N 397.479 3.686 0 40 GHAB COC(=O)c1c(CSc2nnnn2C)nc2ccccc2c1-c1ccccc1 6988198 BNUCVVLAZRHQFP-UHFFFAOYSA-N 391.456 3.504 0 40 GHAB COc1ccc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)cc1 306126158 DONRQFITDPYLNX-XMMPIXPASA-N 386.499 3.649 0 40 GHAB O=C(NC[C@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccc(Cl)cc1 67298664 IBXWKCKODAJKAW-PJXFJRINSA-N 398.846 3.933 0 40 GHAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccccc1N1CCCC1=O 16261640 BTVRCCKHBGUUQM-UHFFFAOYSA-N 384.304 3.690 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc3c(c2)OCCO3)c1C 8327419 DTBDWNQQJGOJOX-CYBMUJFWSA-N 389.473 3.943 0 40 GHAB O=C(CCCCC(=O)Nc1nc2ccccc2[nH]1)Nc1nc2ccccc2[nH]1 17076951 XGNYYHJCSHHAPI-UHFFFAOYSA-N 376.420 3.577 0 40 GHAB O=C(Nc1ccnn1Cc1cccs1)c1cc(Cl)c2c(c1)OCCO2 9575389 VVOIFQZGLKQXAY-UHFFFAOYSA-N 375.837 3.670 0 40 GHAB COc1ccc(C(=O)Nc2ccc3sc(C(=O)N4CCOCC4)cc3c2)cc1 408713378 VSXGTJWPIUGLAJ-UHFFFAOYSA-N 396.468 3.635 0 40 GHAB CCOc1ccc(-c2nsc(NC(=O)c3cccc(OC)c3)n2)cc1OC 28286756 UDSZAUOHXXTCOE-UHFFFAOYSA-N 385.445 3.873 0 40 GHAB CN(CC(=O)NCc1cccc(CN2CCCCCC2)c1)C(=O)OC(C)(C)C 60378379 JZKYYDYMEYUTOZ-UHFFFAOYSA-N 389.540 3.546 0 40 GHAB C[C@H](C(=O)NC1CCCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 408628680 ZYGLEWXRIQBXKS-CQSZACIVSA-N 386.945 3.724 0 40 GHAB CS(=O)(=O)Nc1cccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)c1 30231349 NQKBQYSJRDCEIT-UHFFFAOYSA-N 383.473 3.671 0 40 GHAB COc1cccc(/C=C/C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)c1 32859681 XDSYYWNMZXPGMS-MDZDMXLPSA-N 392.436 3.674 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2csc(-c3ccc(C)o3)n2)CC1 32633894 OOXOFLCPYOSVMD-UHFFFAOYSA-N 383.473 3.683 0 40 GHAB CCc1ccc(NC(=O)CSCc2cc(=O)n3cc(Cl)ccc3n2)cc1 33026827 NJFMXLZJPZMPNS-UHFFFAOYSA-N 387.892 3.782 0 40 GHAB Cc1cc(Nc2ncccc2C)nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 72360009 BTYPQRRAEIGBCZ-GOSISDBHSA-N 388.475 3.647 0 40 GHAB CC(C)Oc1ccc(CCCNC(=O)CCc2ccc3c(c2)OCCO3)cc1 222643542 SENLPSFXCNJUEX-UHFFFAOYSA-N 383.488 3.927 0 40 GHAB Cc1cccc(N2CCN(C(=O)COc3cccc4cccnc34)CC2)c1C 193338788 FMXHTYJSAHZWSD-UHFFFAOYSA-N 375.472 3.579 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)c1 46895295 IJMHMQIRTUQNKE-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB O=C(CNC(=O)c1ccc(COc2ccccc2)o1)Nc1ccc(Cl)cc1 47080973 JEONYUMYZHKUQR-UHFFFAOYSA-N 384.819 3.881 0 40 GHAB COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)o2)cc1 222766953 NKWVEWZXEAUVLH-MOPGFXCFSA-N 393.468 3.731 0 40 GHAB CSc1nnc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)s1 224446901 ULOZJVNKZSQMFW-UHFFFAOYSA-N 382.942 3.764 0 40 GHAB Cc1cc(NC(=O)CCNC(=O)c2ccc3nc(Cl)oc3c2)ccc1F 225980115 AFWYWJAVNNVWIL-UHFFFAOYSA-N 375.787 3.687 0 40 GHAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1C 223506127 GDCHZFKZXOHTDK-CQSZACIVSA-N 390.530 3.565 0 40 GHAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cc(OC)ccc1OC 41076999 WFLRLYDLZUTBDY-UHFFFAOYSA-N 381.432 3.599 0 40 GHAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1cc(Cl)ccc1Cl 244986173 JIZHJOOKQSCODI-UHFFFAOYSA-N 383.254 3.569 0 40 GHAB COc1ccccc1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 242805373 FGHXPQPPLQIFEQ-UHFFFAOYSA-N 386.757 3.622 0 40 GHAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)CC2)c1 257277202 NWWCHGXHUOQODA-SHTZXODSSA-N 397.504 3.909 0 40 GHAB CN(C)C(=O)c1sc2ncccc2c1C1CCN(Cc2ccccn2)CC1 257317443 VJTRXTZXPVRYRR-UHFFFAOYSA-N 380.517 3.773 0 40 GHAB CCCc1cc(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)sc1C 1597401018 AJXOSPJNSAYQIA-JCNLHEQBSA-N 377.531 3.744 0 40 GHAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3ocnc3C)o2)c1 257248909 JFTVLHHBKWOWIU-GOSISDBHSA-N 381.432 3.938 0 40 GHAB O=C1CCCCCN1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257202100 AKKQTRXIYPWJQZ-HXUWFJFHSA-N 395.503 3.722 0 40 GHAB CCn1cnc2c(N[C@H]3CCCCCN(C(=O)[C@H](C)CC(C)C)C3)ncnc21 1615610095 AEDYLADRLKLSMJ-SJORKVTESA-N 386.544 3.712 0 40 GHAB CC1(C)CNC(=O)[C@H]1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 1640899489 AGQSXCXIOZSHOO-OAQYLSRUSA-N 393.462 3.547 0 40 GHAB O=C(Cc1cn2cc(F)ccc2n1)N1CC(Cc2cccc(C(F)(F)F)c2)C1 1160424929 HCAHXIUVFDOBRE-UHFFFAOYSA-N 391.368 3.736 0 40 GHAB O=C(NC1CCN(Cc2ccccc2F)CC1)N[C@@H]1CCOc2ccccc21 56442983 HWVLWIAMAPVGGJ-HXUWFJFHSA-N 383.467 3.613 0 40 GHAB O=C(O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1 68250431 GKMLFBRLRVQVJO-ZDUSSCGKSA-N 396.369 3.755 0 40 GHAB investigational O=C1N[C@]2(COC3(CCN(Cc4ccccc4Cl)CC3)C2)Nc2ccccc21 72325403 XHOIOWPBASMRQG-JOCHJYFZSA-N 397.906 3.647 0 40 GHAB COc1c(C(=O)CC(C)C)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)O 1549187762 PPIWGLZMVXGWMX-UHFFFAOYSA-N 388.416 3.921 0 40 GHAB Cc1cs/c(=N\c2c(C)n(C)n(-c3ccccc3)c2=O)n1Cc1ccccc1 12590076 NRTMVMXNIYORIQ-FCQUAONHSA-N 390.512 3.937 0 40 GHAB COc1ccc(-c2cc(CC(=O)N3c4ccccc4C[C@H]3C)no2)cc1OC 13574387 SERZATYSTDNKKW-CQSZACIVSA-N 378.428 3.879 0 40 GHAB CCN(CC)C(=O)C(=O)c1cn(CCOc2ccccc2F)c2ccccc12 14136071 HMPXBOKQEKZNHN-UHFFFAOYSA-N 382.435 3.911 0 40 GHAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 16554200 VETXKDVOJATQAE-QMMMGPOBSA-N 388.276 3.984 0 40 GHAB Cc1ccc2oc(C(=O)N[C@@H](C)c3cc(=O)[nH]c(-c4ccccn4)n3)c(C)c2c1 19220438 NLUQIXATYBOUBS-AWEZNQCLSA-N 388.427 3.686 0 40 GHAB Cc1ccccc1[C@@H]1CN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)C[C@H]1c1csnn1 19237418 WDZDTILSWMYKDN-ACZWYYKOSA-N 398.576 3.534 0 40 GHAB CCn1nc(C)c([C@@H](C)NC(=O)c2noc(C)c2Cc2c(C)noc2C)c1C 19523751 ZCCOMVAHAYADNK-LLVKDONJSA-N 385.468 3.503 0 40 GHAB CCOc1ncccc1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C 19531527 YICOITHBCNSSSU-BDTNDASRSA-N 393.531 3.963 0 40 GHAB CN1CCN(C(=O)C2CCC2)C[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 19589505 YNJGDYRSWKXMCN-OAQYLSRUSA-N 394.490 3.752 0 40 GHAB CCOc1ccc(NCc2cc3c(OC)c(OC)c(OC)cc3[nH]c2=O)cc1 12144310 BBFZIIWLQOVYLF-UHFFFAOYSA-N 384.432 3.565 0 40 GHAB CC(=O)c1ccc(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)cc1 2474270 KZGUQLVJCBSEMK-UZYVYHOESA-N 385.217 3.729 0 40 GHAB COc1cccc(OC)c1C(=O)NCCc1csc(-c2cccc(F)c2)n1 4375380 RZQWTOISRNWFHC-UHFFFAOYSA-N 386.448 3.939 0 40 GHAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCc1ccc(Cl)cc1 5255101 HBDVHJVQEUIEDP-UHFFFAOYSA-N 398.846 3.950 0 40 GHAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)CC(c1ccccc1)c1ccccc1 10255939 BJQKWHDKNHHXSN-QHCPKHFHSA-N 384.479 3.913 0 40 GHAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cc2ccccc2o1)N(C)C 575621054 NIPIYIPYDNJBJI-QGZVFWFLSA-N 399.878 3.752 0 40 GHAB COc1ccc(CNC(=O)N2CCC(COCc3ccccc3)CC2)cc1OC 49447554 RLJJSJFUFVVBOG-UHFFFAOYSA-N 398.503 3.842 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 40011949 UDFVRAFXPJPCBF-KRWDZBQOSA-N 387.443 3.713 0 40 GHAB CCCCOCCCNC(=O)Nc1cc2c(cc1Br)OCCO2 40023800 UJPYCVLNQFGXTP-UHFFFAOYSA-N 387.274 3.549 0 40 GHAB C[C@@H](c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 40157194 DMFSIUAGWOAXLJ-AWEZNQCLSA-N 382.888 3.547 0 40 GHAB O=C(Nc1ccc(-c2csnn2)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 40157867 ZMXNAYXSGIKSLH-ZDUSSCGKSA-N 398.875 3.850 0 40 GHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Oc3ccc4c(c3)OCO4)cc1)[C@H]1C=C[C@H]2C1 100221772 QQPYDLFOXKZNHL-QCQDVHPSSA-N 375.380 3.519 0 40 GHAB C[C@@H]1CCN(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c2ccccc2S1 8326107 SFCUFKFMIDBIJT-CYBMUJFWSA-N 399.447 3.560 0 40 GHAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)Nc3nccs3)n12 929766 KREZWFYUNBLKTL-UHFFFAOYSA-N 383.502 3.995 0 40 GHAB COc1cccc2cc(C(=O)N(Cc3ccccc3)C[C@H]3CCCO3)c(=O)oc12 1342143 RSZGXZBKXKJXRZ-GOSISDBHSA-N 393.439 3.623 0 40 GHAB O=C(Oc1ccc(Cl)cc1)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 102082885 DRFFJAFFOMLLGK-ACXAXXDSSA-N 399.874 3.611 0 40 GHAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C(=S)Nc2ccc(C(F)(F)F)cc2)C1 4135130 LALFGEJDABZXOM-OLZOCXBDSA-N 393.434 3.683 0 40 GHAB C[C@H](C(=O)Nc1cccc(NC(=O)Cc2ccccc2Cl)c1)n1cccn1 32832821 IHZYYHOLWROWMU-CQSZACIVSA-N 382.851 3.917 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1OC 4385356 QFQVQKLKYYSKJG-UHFFFAOYSA-N 390.486 3.937 0 40 GHAB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccn3)SC2=S)c(Cl)c1 6965024 HZVCAVOMUBSFOU-ZROIWOOFSA-N 389.889 3.590 0 40 GHAB CN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccco1 22381615 ZZCICAPPZLTLDN-INIZCTEOSA-N 389.402 3.565 0 40 GHAB COc1cc(C(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)ccc1C 17172321 GQSVTPVGQGWUEY-UHFFFAOYSA-N 391.452 3.826 0 40 GHAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1cccc2ccccc12 23175299 RFZPOCRIXYCAEJ-STTHAQSSSA-N 394.496 3.720 0 40 GHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@@H](C)c1ccc(F)cc1F 23546134 VTFGPYPGJWOIED-VOJFVSQTSA-N 396.384 3.875 0 40 GHAB O=C(CCc1nc(-c2ccccc2)no1)NC[C@H](c1ccccc1)N1CCCC1 23740102 CLODNOXZGJSSAQ-HXUWFJFHSA-N 390.487 3.623 0 40 GHAB CCN1CCc2nc3ccccc3c(C(=O)NCc3ccc(OC)cc3)c2C1 23873138 HMGBKMSHXJORFA-UHFFFAOYSA-N 375.472 3.551 0 40 GHAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)Cc1ccccc1OC(F)(F)F 106138158 LTMZFMRMGZBBPA-CABCVRRESA-N 387.446 3.847 0 40 GHAB C[C@@H]1CCCCN1C(=O)CNc1cc(Cl)ccc1C(=O)N1CCCCC1 55851887 YURGBCBEEHSNHU-OAHLLOKOSA-N 377.916 3.779 0 40 GHAB Cc1ccc(CNC(=O)CSc2nnc(NC3CCCCC3)s2)cc1 3290871 YGDNPYOWOIHDMQ-UHFFFAOYSA-N 376.551 4.000 0 40 GHAB CC(C)(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc(O)cc3)CC2)cc1 3295219 SFQUXQIZEGMEPQ-UHFFFAOYSA-N 397.544 3.527 0 40 GHAB COC(=O)c1ccccc1NC(=O)CN[C@H](C)c1ccccc1Br 57315523 XRBGYQYGUSQSQG-GFCCVEGCSA-N 391.265 3.525 0 40 GHAB CSc1ccc([C@H]2[C@H]3C(=O)N(CC(C)C)C(=O)[C@@H]3ON2c2ccccc2)cc1 103187961 LCXVJDNUTWFYDK-HSALFYBXSA-N 396.512 3.911 0 40 GHAB Cc1cc(C(=O)OCc2nnc(-c3ccccc3)o2)c2cnn(C(C)C)c2n1 10206320 RPKBDMZJJLMPAQ-UHFFFAOYSA-N 377.404 3.728 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(Cc3ccco3)C3CC3)C2)c1 44979024 KEXJYISUDKUNDW-GOSISDBHSA-N 380.488 3.940 0 40 GHAB CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@H]21 67665324 NCKMUHPTJJCVPV-YUDIKBHMSA-N 388.504 3.726 0 40 GHAB in-vitro O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ccccc1Cl 3300814 NJPNZBWVUJRWHS-UHFFFAOYSA-N 398.802 3.981 0 40 GHAB CC(=O)NCCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 12779863 UKNXVFKSXKVEAO-UHFFFAOYSA-N 377.238 3.706 0 40 GHAB COc1cc(OC)c2[nH]c(C(=O)N(C)CCOc3cc(C)cc(C)c3)cc2c1 12793989 HSBKXVDQWYJJHX-UHFFFAOYSA-N 382.460 3.953 0 40 GHAB COc1ccc2c(c1)c(C(=O)CNC1=NCCS1)c(C)n2Cc1ccccc1 2304680 UEISJHGCPXVBJU-UHFFFAOYSA-N 393.512 3.882 0 40 GHAB Nn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1 2337302 VLDLWWQYBHZOQA-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccco4)s3)CC2=O)cc1C 8654684 KZGWERRVILTFGP-CYBMUJFWSA-N 382.445 3.521 0 40 GHAB C[C@@H](NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1)c1ccc(Br)cc1 12815966 WYLGQZFYQWXMHT-BLVKFPJESA-N 388.261 3.798 0 40 GHAB CC[C@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)Nc1cc(C)on1 12812804 LMVWLDAJMRLXIK-SFHVURJKSA-N 394.431 3.620 0 40 GHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc(F)c1 3564057 VPJXHIPMDUAVGH-UHFFFAOYSA-N 398.459 3.655 0 40 GHAB CC(C)C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccccc1 12992974 GMPHEIQHAQGWHU-LJQANCHMSA-N 386.517 3.526 0 40 GHAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 12914084 YJWNMBIVAWPKRN-CYBMUJFWSA-N 376.888 3.540 0 40 GHAB COC(=O)c1ccc(CN(C)C(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 13018319 LFDLMYWPOANJMY-UHFFFAOYSA-N 396.418 3.859 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Br)cc2)c(N)c1 3886703 PFDWMGSJMBMWBS-UHFFFAOYSA-N 399.310 3.854 0 40 GHAB CCc1cc(=O)oc2cc(OC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc12 4046697 JAACMJIEKILESZ-INIZCTEOSA-N 387.432 3.660 0 40 GHAB O=C(NCc1ccccc1N1CCCC1)c1ccc2c(O)[nH]c(=S)nc2c1 63811147 ZSOINJQYAKWLIM-UHFFFAOYSA-N 380.473 3.528 0 40 GHAB CN(C(=O)c1ccccc1NC(=S)NC(=O)C(C)(C)C)C1CCCCC1 8556035 CITRLEYXTIKQBI-UHFFFAOYSA-N 375.538 3.950 0 40 GHAB O=C(Cn1ccccc1=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 24982453 FKRSZGXABLEKNH-UHFFFAOYSA-N 394.283 3.841 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCc1ccco1 14182846 NAXCLXAGNYLACR-UHFFFAOYSA-N 388.773 3.982 0 40 GHAB COc1ccc(Cl)cc1C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 4580994 BFVREPXLNUKGHX-UHFFFAOYSA-N 377.868 3.590 0 40 GHAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1 4676324 KOYYYTQRELJTQS-MRXNPFEDSA-N 387.439 3.696 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cc(OC)ccc1OC 4741608 GUYWUIGTUGZXTG-HXUWFJFHSA-N 393.443 3.906 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc(CS(C)(=O)=O)cc2)c(C)c(C)c1C 5621926 YYFGUYQKOKOAOO-UHFFFAOYSA-N 388.485 3.505 0 40 GHAB CCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1 6786187 ZAFRUCWFOCBPJB-UHFFFAOYSA-N 381.520 3.556 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)NCc2cccc(Cl)c2)cc1OCC 4846102 IVOHBUGFAWAJFF-UHFFFAOYSA-N 391.851 3.611 0 40 GHAB COC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 6831980 WPUHLYMEDISBMG-CQSZACIVSA-N 383.473 3.905 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 6811806 KEXYCJCWAYOGTI-MOPGFXCFSA-N 393.516 3.855 0 40 GHAB COc1cc2nc(CN3CCC(Cc4ccccc4)CC3)nc(O)c2cc1OC 5931639 WIIGNNUIICEZPU-UHFFFAOYSA-N 393.487 3.807 0 40 GHAB O=C(NCc1ccc(F)c(Cl)c1)c1[nH]nnc1Nc1ccc(Cl)cc1 67283655 NWZHMBKWDGDEIZ-UHFFFAOYSA-N 380.210 3.924 0 40 GHAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cc(Cl)c3c(c1)OCCCO3)C2=O 7084195 QQLUIGFEOFMOAQ-HXPMCKFVSA-N 378.856 3.502 0 40 GHAB COC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)c1 15371098 XBWDKPCWRATOGU-NSHDSACASA-N 378.222 3.642 0 40 GHAB Cc1ccc2nc(SCC(=O)Nc3ccc(Cl)c(C(=O)O)c3)[nH]c2c1 7344441 MAYHWAPSFRYHEK-UHFFFAOYSA-N 375.837 3.954 0 40 GHAB O=C(C1CC1)N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 8072395 RYDQNBLVHAHWPN-UHFFFAOYSA-N 382.464 3.556 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 8279671 UWULHZFPZKPZSG-AWEZNQCLSA-N 397.500 3.644 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 8289686 ISJHVMONJQBPEA-UHFFFAOYSA-N 385.529 3.640 0 40 GHAB CC(C)OC(=O)CCNC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 9808233 AGJFSQVASWSDRK-UHFFFAOYSA-N 387.461 3.697 0 40 GHAB CC[C@@H](NC(=O)c1ccc(OC)c(OC(F)F)c1)[C@H](O)c1ccccc1F 72311579 PKLXWTZKRYUCJN-RHSMWYFYSA-N 383.366 3.678 0 40 GHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)C(=O)Nc1ccc(Cl)cc1F 95365153 LAHRRHGYIRPCDX-UHFFFAOYSA-N 386.757 3.678 0 40 GHAB Cc1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2cnn(C3CCCC3)c2n1 79193984 PUIOPTNHALFCFL-LAUBAEHRSA-N 395.551 3.849 0 40 GHAB biogenic CN1CCN(Cc2ccoc2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306124845 CATDSYPIDBTXFA-NRFANRHFSA-N 391.450 3.617 0 40 GHAB CCc1cccc(NC(=O)C[C@H](NC(N)=O)c2ccc(Br)cc2)c1 36397651 OVZHIUASZXBRAK-INIZCTEOSA-N 390.281 3.750 0 40 GHAB COc1cccc(C[C@@H](C)NC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)c1 527749332 ZEQZZPWGMDBDBO-QGZVFWFLSA-N 392.503 3.639 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70640119 CAZAJIVJVACSGV-CQSZACIVSA-N 393.814 3.679 0 40 GHAB CCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 39985861 DFZXAJOWZRIIEE-UHFFFAOYSA-N 386.945 3.580 0 40 GHAB COC(=O)c1cc(NC(=S)Nc2cc(C)ccc2F)cc(C(=O)OC)c1 71325943 BCNFNPXXUIAHSL-UHFFFAOYSA-N 376.409 3.516 0 40 GHAB CCN1CCC[C@@H]1CNC(=O)CC1(CN2Cc3ccccc3C2=O)CCCCC1 1565524462 IGRMFTMZQGHEJJ-HXUWFJFHSA-N 397.563 3.584 0 40 GHAB COc1ccc(-c2nc(-c3cccc(OCC(=O)N4CCCCC4)c3)no2)cc1 33327405 DFSVQWQKHVXGKJ-UHFFFAOYSA-N 393.443 3.804 0 40 GHAB Cc1ccc(C)c(OCCNC(=O)c2ccc(I)cc2)c1 223982065 PNQFSXLXWWZJRO-UHFFFAOYSA-N 395.240 3.717 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(OC(C)C)c2)c1 223842657 QRAZLSUOESJPSD-UHFFFAOYSA-N 383.853 3.715 0 40 GHAB Cc1nc(S[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)n(CC(C)C)c1C 45527716 MYSHMFHJOGSMSG-AWEZNQCLSA-N 387.505 3.850 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 225484090 BIFPIQUEWHNHKU-XMSQKQJNSA-N 396.531 3.960 0 40 GHAB Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225058734 ZJKOZIUFLSSAHX-LEWJYISDSA-N 391.544 3.895 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)C(C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225225748 LPFGRRHVXIROHP-FZMZJTMJSA-N 395.352 3.699 0 40 GHAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 223634988 OONHHHHROXTKDR-UXHICEINSA-N 384.549 3.743 0 40 GHAB O=C1CCCN1c1ccc(NC(=S)NCCSCc2ccco2)cc1 225348508 LRBCNDORYNTNOW-UHFFFAOYSA-N 375.519 3.626 0 40 GHAB O=S(=O)(NCC[C@H](O)c1cccc2ccccc12)c1cccc(Cl)c1 77117758 YTNHOXZJAJJLAW-IBGZPJMESA-N 375.877 3.895 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 223103659 ARLFGZVXYUBWPW-HXUWFJFHSA-N 382.504 3.544 0 40 GHAB CCCCOCc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1OC 224441055 YOIBDAXSZPRUKI-UHFFFAOYSA-N 382.504 3.974 0 40 GHAB CC(C)c1ccc2oc(=O)cc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2c1 85880062 HNQQIZKIRWUJKQ-APWZRJJASA-N 390.483 3.697 0 40 GHAB biogenic Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 582648684 KVRGFRMCQHQIJR-HXUWFJFHSA-N 391.475 3.615 0 40 GHAB Cc1ccc(CN2CCC[C@]3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)C2)o1 96215930 YGJKVHDYJPEVRZ-QHCPKHFHSA-N 381.520 3.782 0 40 GHAB COCc1nnc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)s1 95475584 JDJDHGFNTLOZTL-CQSZACIVSA-N 390.896 3.952 0 40 GHAB CCC[C@]1(CO)CCN(C(=O)C(CC)(CC)c2ccc(OC)c(OC)c2)C1 585085086 DRXYBEAJBCMEGB-NRFANRHFSA-N 377.525 3.773 0 40 GHAB Cc1cc(Cn2nnc(C(=O)N3c4ccccc4[C@]4(C)CCCC[C@H]34)c2C)on1 585139773 RZAVRKNCPUIJPS-UGKGYDQZSA-N 391.475 3.792 0 40 GHAB Cn1ncc(C2CCC2)c1C(=O)NCc1nc2ccc(Br)cc2o1 585113028 ZWMOUWNZMHJKDK-UHFFFAOYSA-N 389.253 3.521 0 40 GHAB COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 253612339 JKXQEBJVZBCFGF-WDVWFTEASA-N 390.520 3.929 0 40 GHAB Cn1cnnc1[C@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 257213175 CGLVWFFDWZIRAS-SFHVURJKSA-N 376.460 3.560 0 40 GHAB CSc1ncccc1C(=O)N1C[C@H](c2ccccc2)[C@@H](c2nc(C)no2)C1 253471837 FYWNOIKUZDNWCD-SJORKVTESA-N 380.473 3.518 0 40 GHAB Cc1cccc(-c2nc3sc(=Cc4c(Cl)cccc4Cl)c(=O)n3n2)c1 254622748 CVGOEAMMKDSFNL-UHFFFAOYSA-N 388.279 3.981 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCCC[C@H]2C)cc(C(F)(F)F)n1 260737630 MPANRNHKALFFQG-LLVKDONJSA-N 375.464 3.817 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCC[C@H](C)C2)n1 260733072 DYUCBIHHMZPVOQ-HOTGVXAUSA-N 390.601 3.644 0 40 GHAB COc1cccc([C@H]2CC(c3ccco3)=NN2S(=O)(=O)c2ccccc2)c1 95115900 KAAQWKPSMJIPKK-LJQANCHMSA-N 382.441 3.828 0 40 GHAB O=C(O)[C@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)[C@H]1c1ccccc1 567021662 VABGHRJSLVYTHS-BBRMVZONSA-N 399.390 3.542 0 40 GHAB O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)N1CCC(O)(C2CC2)CC1 585098923 RTCCYOOVWSXASW-OAQYLSRUSA-N 378.516 3.959 0 40 GHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2nccc3ccsc23)c1 585123282 VTZWUTFIRXCADX-UHFFFAOYSA-N 380.473 3.638 0 40 GHAB CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@]2(C)CCCc3ccccc32)c1 58344192 HGLKDOXHHYLZEN-NRFANRHFSA-N 386.517 3.820 0 40 GHAB COc1ccc(CN2CCC3(CC2)CC(=O)N(C)Cc2ccccc2N3)c(C)c1 1615530319 UZHNOEPNHOXDNZ-UHFFFAOYSA-N 393.531 3.812 0 40 GHAB O=C1C2=N[C@H]3C(c4ccccc4)=NN=C(c4ccccc4)[C@@H]3N=C2c2ccccc21 5682159 MDOFTYIVXZNKGC-GOTSBHOMSA-N 388.430 3.771 0 40 GHAB CN1CCN(c2nc(-c3ccc(Cl)cc3)c3c(n2)-c2ccccc2C3=O)CC1 17079820 HDLBEFASMBHNDR-UHFFFAOYSA-N 390.874 3.760 0 40 GHAB CC(=O)N1CCc2nc(C3CCN(CC[C@H](C)c4ccccc4)CC3)ncc2C1 19455636 BEEFFXZQARXIPR-SFHVURJKSA-N 392.547 3.754 0 40 GHAB CCn1cc(-c2cc(O)n3nc(COC)c(-c4ccc(Cl)cc4)c3n2)cn1 19525119 FQGRSMDVEINPAE-UHFFFAOYSA-N 383.839 3.785 0 40 GHAB Cc1nc(SCC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)oc1C 19559417 BMHNHIVHNIKAIL-MRXNPFEDSA-N 383.477 3.532 0 40 GHAB CCc1cc(C(=O)N[C@@H](C)c2nc(-c3cccc(C)c3)no2)c2c(C)noc2n1 19663341 HVCCGKXSOCHHOC-ZDUSSCGKSA-N 391.431 3.943 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1[N+](=O)[O-] 8165949 PHZRGZZFCIXXRF-LICLKQGHSA-N 398.396 3.523 0 40 GHAB Cn1ccc(C(=O)N2[C@H]3CC[C@@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)n1 100112762 JIQHICKMYATYOC-JDFRZJQESA-N 379.382 3.511 0 40 GHAB Fc1ccc2c(c1)Cc1cccc(c1)CN(C1CCOCC1)CCOCCO2 643563521 YWEMYRIRWOBGIM-UHFFFAOYSA-N 385.479 3.807 0 40 GHAB CC(=O)NCCC(=O)Nc1nc(-c2cc(C)n(Cc3ccccc3)c2C)cs1 6589646 XXHMLJQGMZBEOT-UHFFFAOYSA-N 396.516 3.741 0 40 GHAB O=C(Nc1ccc(CNC(=O)c2c[nH]nc2-c2ccccc2)cc1)c1ccco1 11147010 CAQWSDGEFMFRIC-UHFFFAOYSA-N 386.411 3.852 0 40 GHAB CCCc1cc(O)nc(SCC(=O)c2ccc(OC)c(Br)c2)n1 11443312 QIJLHTRKINUIBN-UHFFFAOYSA-N 397.294 3.881 0 40 GHAB CCc1ccc(NC(=O)CN2CCC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 1888962002 QNZVVWPWDJAQKK-GOSISDBHSA-N 391.475 3.512 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CCN1C(=O)c2ccc(C)cc2C1=O 25126803 HFWXUYRFPCAINU-UHFFFAOYSA-N 386.835 3.590 0 40 GHAB O=C(COc1ccccc1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 5181265 RRPMFDWNRMFPAZ-UHFFFAOYSA-N 387.892 3.677 0 40 GHAB O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccc(-c2ccccc2)cc1 8954642 HHULRYATCCHTCG-UHFFFAOYSA-N 385.423 3.600 0 40 GHAB O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)NCc2ccc(F)cc2)cs1 9818448 NYZVIVXPFCIFRZ-DHZHZOJOSA-N 395.459 3.793 0 40 GHAB O=C(Nc1cccc(Cl)c1)Nc1nc(CCC(=O)N2CCCC2)cs1 16849143 RNLFTJWDRCLXOP-UHFFFAOYSA-N 378.885 3.996 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1cc(=O)c2ccccc2o1 1775967149 HDIUYYNMCSUJIC-CQSZACIVSA-N 381.409 3.578 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C)C(=O)Nc1ccc(N(C)C)cc1 10489130 SCMVSLZMKOQXLV-CQSZACIVSA-N 395.434 3.932 0 40 GHAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(OCc2ccccc2)cc1 40128013 COJHTNCCHBHUOH-UHFFFAOYSA-N 387.501 3.952 0 40 GHAB COc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 20717722 AHTYCIHSBOIWJP-HXUWFJFHSA-N 394.818 3.764 0 40 GHAB CCOC(=O)[C@@H](CC)Sc1nnc(COc2ccc(Cl)cc2)n1CC 898568 XNFCFHHVDPFMNC-CQSZACIVSA-N 383.901 3.964 0 40 GHAB CCOC(=O)c1c(C=O)c2sc(C)cc2n1CC(=O)c1ccc(OC)cc1 1350576 ZVEYSBCNXQVJQT-UHFFFAOYSA-N 385.441 3.892 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)N2CCCC2)n1-c1ccc(F)cc1 1361227 OCVJEDXUSILJKK-UHFFFAOYSA-N 386.452 3.689 0 40 GHAB O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)C(F)(F)F)C1CC1 1365911 XPALCFSRYBRPIB-INIZCTEOSA-N 386.389 3.869 0 40 GHAB CC(C)N(C(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(C)C 1368020 LPNJCYRFEFWAPP-UHFFFAOYSA-N 379.551 3.601 0 40 GHAB COc1ccc(Sc2cc(CS(=O)(=O)c3ccccc3)nc(C)n2)cc1 1392266 XECYPVPAJSWUSE-UHFFFAOYSA-N 386.498 3.919 0 40 GHAB CCCOC(=O)c1ccc(OC[C@H](O)Cn2c(CCC)nc3ccccc32)cc1 2054353 WQYIZIRYYRFPAL-GOSISDBHSA-N 396.487 3.996 0 40 GHAB CCCOc1ccc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)cc1OC 2172485 XGAMLZSXGGNHOT-UHFFFAOYSA-N 378.513 3.807 0 40 GHAB COCCn1c(SCC(=O)c2cc(C)ccc2C)nc2ccccc2c1=O 2616526 MSJRBPIPVMHGPZ-UHFFFAOYSA-N 382.485 3.635 0 40 GHAB COc1cccc2c(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)ccc12 2712180 YBDCJPNYNTYJKN-UHFFFAOYSA-N 376.334 3.668 0 40 GHAB O=c1c2cc3c(cc2[nH]c(=S)n1C1CCN(Cc2ccccc2)CC1)OCO3 2974132 FICSRDABMSGKOG-UHFFFAOYSA-N 395.484 3.625 0 40 GHAB CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 3375717 LNINCESRVZCYNC-UHFFFAOYSA-N 399.491 3.591 0 40 GHAB O=C(NCc1nnc(S)n1-c1ccc(F)cc1)c1ccc(Cl)cc1Cl 4059228 YPFIYYNZTGETFV-UHFFFAOYSA-N 397.262 3.932 0 40 GHAB Cc1cc(Cl)cc2sc(NC(=O)c3ccccc3S(C)(=O)=O)nc12 4517801 MTDWMPUZYJODPN-UHFFFAOYSA-N 380.878 3.914 0 40 GHAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 4659703 GMUBXYGFPJMNFP-FTUNRGFVSA-N 377.827 3.883 0 40 GHAB CCCc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)sc1C 4928674 LNYBAYJERJHSLT-UHFFFAOYSA-N 375.446 3.576 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1C 5097622 MSYNCCZXTFMDGQ-UHFFFAOYSA-N 378.881 3.749 0 40 GHAB Cc1cccc2sc(N3CCN(C(=O)CCOc4ccccc4)CC3)nc12 5181470 FDWDSGNTWDPDOK-UHFFFAOYSA-N 381.501 3.722 0 40 GHAB C[C@@H](On1nnc2ccc(Cl)cc21)C(=O)Nc1ccc(N2CCCCC2)cc1 5198544 FZCSLHKCTOWCEV-CQSZACIVSA-N 399.882 3.531 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(C)c(C)c2)cc1 5392163 GWUALHPCKNYPKU-HNNXBMFYSA-N 395.488 3.601 0 40 GHAB CC(=O)Nc1cccc(OCC(=O)N[C@@H](C)c2ccccc2Br)c1 5462178 DSUGQJKROPYJHE-LBPRGKRZSA-N 391.265 3.664 0 40 GHAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc4c(c3)OCCCO4)n2)cc1 5865594 NHMZZNIIAGGCHU-UHFFFAOYSA-N 396.472 3.672 0 40 GHAB Cc1cc(SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)nc2ccccc12 5934914 YXOKYSAJJNHQBU-UHFFFAOYSA-N 397.475 3.872 0 40 GHAB Clc1ccc(OCc2ccc(-c3nc4c5cn[nH]c5ncn4n3)cc2)cc1 6448208 QAMUAWZCKQMRGU-UHFFFAOYSA-N 376.807 3.900 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)OCC(=O)Nc3ccc(C)c(C)c3)c2C)no1 7002759 ANFREDOIONRACS-UHFFFAOYSA-N 381.432 3.803 0 40 GHAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2)NC(=O)N1 7141151 VOWLBLFAYSEWEV-INIZCTEOSA-N 375.350 3.972 0 40 GHAB COc1ccc([C@@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 7653932 SMLUNDCVEQPTBS-GOSISDBHSA-N 379.243 3.969 0 40 GHAB COc1ccc(OC)c(C[C@@H]2SC(=O)N(CCCc3ccccc3)C2=O)c1 8114544 AIUGGSQRWWAXNB-IBGZPJMESA-N 385.485 3.943 0 40 GHAB COc1cc(OC)cc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3C=O)o2)c1 8206633 HOIICQLMKLMXHI-UHFFFAOYSA-N 387.373 3.626 0 40 GHAB O=C(Cc1ccc2c(c1)CCC2)Nc1cc(C(F)(F)F)ccc1-n1cncn1 8768972 KIGQCUIGMHAZDK-UHFFFAOYSA-N 386.377 3.956 0 40 GHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 8840725 LTUDQIFSOKMNLB-UHFFFAOYSA-N 376.453 3.706 0 40 GHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc21 8840755 LVWMZKAHJOUDPA-UHFFFAOYSA-N 394.443 3.845 0 40 GHAB C/C=C/C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)o2)c1 9062253 CFEFCIGIVBTVEI-HWKANZROSA-N 378.388 3.512 0 40 GHAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)n(C)n1 9200600 HRVBIFYEKQQLFG-UHFFFAOYSA-N 381.436 3.719 0 40 GHAB COc1cc(CNC(=O)CCC(=O)c2ccc(Cl)s2)cc(OC)c1OC 9888374 PPLRXRFAUGRLMS-UHFFFAOYSA-N 397.880 3.707 0 40 GHAB COc1ccc(-c2nnc(NC(=O)Cc3ccc(SC)cc3)o2)c(OC)c1 10252384 MCSZNFOTFQQJCM-UHFFFAOYSA-N 385.445 3.657 0 40 GHAB CC(=O)c1ccc(C)cc1OS(=O)(=O)c1ccc(Br)s1 10761590 PFDHCAUJAKMGAS-UHFFFAOYSA-N 375.265 3.789 0 40 GHAB C[C@H]1CCc2nc3ccccc3c(C(=O)N3CCN(c4nccs4)CC3)c2C1 11188312 PAWTWHQTHSLALH-HNNXBMFYSA-N 392.528 3.779 0 40 GHAB COc1ccccc1O[C@@H](C)C(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 11913734 AKHBUPLIUJTQRC-AWEZNQCLSA-N 397.431 3.938 0 40 GHAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)NCc1cccs1 11971770 AFIYHIQJEJHAFH-AWEZNQCLSA-N 386.546 3.747 0 40 GHAB C[C@H](NC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1)c1ccncn1 12073113 SQHKNJBMGPNHCP-NSHDSACASA-N 392.337 3.553 0 40 GHAB COCC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 12327018 XPRPXAUSRMBLHW-UHFFFAOYSA-N 399.516 3.864 0 40 GHAB CN(Cc1cccc(Cl)c1Cl)C(=O)CCN1C(=O)COc2ccccc21 13012633 ZKPCDRBOUWQEIM-UHFFFAOYSA-N 393.270 3.768 0 40 GHAB CCC1(C)CC(=O)N(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C(=O)C1 13020338 GYMVHARACNZWGF-QGZVFWFLSA-N 397.471 3.784 0 40 GHAB Cc1noc(C)c1Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)o1 13641028 KDKQZLIUTYFXEK-UHFFFAOYSA-N 397.450 3.572 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1ccccc1F)N(C(=S)NC1CC1)CC2 13689796 DOXYVLIUPAHRQG-FQEVSTJZSA-N 386.492 3.827 0 40 GHAB CC[C@H](C(=O)Nc1cccc(F)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714501 NGUNRNADSWDNQB-MRXNPFEDSA-N 384.860 3.662 0 40 GHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N(Cc1ccco1)C1=CCCCC1 14067985 LPLRHCSJYUVTBJ-UHFFFAOYSA-N 397.406 3.722 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(-n3nccc3C)cc2)c1 14095610 UYUQXDDRRWJBLZ-UHFFFAOYSA-N 376.460 3.915 0 40 GHAB Cc1nc(C)c(CCC(=O)Nc2nc(-c3cc(C)sc3C)cs2)c(=O)[nH]1 16470539 YLTIMYXEBNJYNX-UHFFFAOYSA-N 388.518 3.760 0 40 GHAB C[C@@H](NC(=O)Cn1c(S)nnc1-c1cccs1)c1ccccc1Cl 17908303 YLCLFJLFCHYKOD-SNVBAGLBSA-N 378.910 3.826 0 40 GHAB Cc1csc2c([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc(C)n12 19240479 NRGMSNYACDUFMT-AWEZNQCLSA-N 393.509 3.720 0 40 GHAB O=C(Cc1ccccc1F)N1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 19348083 MFVGQIDELZQCIG-UHFFFAOYSA-N 388.826 3.793 0 40 GHAB Cc1cnc(C(=O)N2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)cn1 19692618 DBNXTQJDZXDBHZ-HXUWFJFHSA-N 394.862 3.714 0 40 GHAB CCc1nn2c(C)c(C(=O)Nc3ccccc3OC)nnc2c1-c1ccccc1 20633696 KJWBPSMENZZPGR-UHFFFAOYSA-N 387.443 3.923 0 40 GHAB COc1cccc(CN(C)C(=O)c2ccc(I)cc2)c1 21333042 OEAWALMKEOUBOE-UHFFFAOYSA-N 381.213 3.572 0 40 GHAB C[C@]1(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)CC1(Cl)Cl 21711386 IUMAHZSOTFOSCG-QGZVFWFLSA-N 381.259 3.831 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1C 22331436 HBLHWXWGSRRQRJ-OAHLLOKOSA-N 394.924 3.600 0 40 GHAB COc1ccccc1NC(=O)CN1CCN(Cc2csc3ccccc23)CC1 22933015 BBAKMSPBEDUWDA-UHFFFAOYSA-N 395.528 3.666 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 24357472 OOMFDWSWXGGGFF-JTQLQIEISA-N 388.272 3.820 0 40 GHAB Cc1csc(N2CCN(c3nc(C)nc4sc5c(c34)CCCC5)CC2)n1 24659134 RIBLLRWDYPFXIS-UHFFFAOYSA-N 385.562 3.970 0 40 GHAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)c1 28206539 HFMQARMEVZZXGG-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N(C)Cc3ccsc3)o2)cc1 31621303 WRJVXNVMIXVYSS-UHFFFAOYSA-N 389.502 3.769 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl 32764585 WSENMXYFIAGRDV-UHFFFAOYSA-N 395.286 3.941 0 40 GHAB Cc1ccc(C(=O)OCc2nccn2C(F)F)cc1NC(=O)c1ccco1 32853954 IWRLDJMKDFUJMT-UHFFFAOYSA-N 375.331 3.789 0 40 GHAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)c1 32859947 MELYNFPFJLRONO-HXUWFJFHSA-N 394.475 3.784 0 40 GHAB O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1OC(F)(F)F 32895548 ZWUQVAJLJKZXJG-UHFFFAOYSA-N 397.277 3.708 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)c(O)c(C)c3)C2=O)cc1 33404753 POAVUYKDMFTNBO-YVLHZVERSA-N 396.468 3.992 0 40 GHAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2cccc(F)c2)cc1 35685029 XKYVGJCYNBBVDX-QGZVFWFLSA-N 380.379 3.869 0 40 GHAB CC(C)(C)c1ccc(CCC(=O)NCc2ccc(Cn3cncn3)cc2)cc1 36392981 FXOBRTRIMBKFKM-UHFFFAOYSA-N 376.504 3.873 0 40 GHAB Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1N1CCCC1=O 38696934 UZRYHTMFFMGXNO-UHFFFAOYSA-N 378.472 3.809 0 40 GHAB CCOc1ccc(CN(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 40103818 CENSDQCHYMTTAN-UHFFFAOYSA-N 396.535 3.809 0 40 GHAB Cc1ccc(CN(C(=O)Nc2ccccc2C(=O)N2CCOCC2)C2CC2)cc1 40104696 XAULQKQEKDDVIQ-UHFFFAOYSA-N 393.487 3.664 0 40 GHAB CCOC(=O)c1sc(NC(=O)COc2ccc(C(F)(F)F)cc2)nc1C 40140717 OTBRWXLWCHVRQG-UHFFFAOYSA-N 388.367 3.665 0 40 GHAB Cc1c(C(=O)NCCCS(=O)(=O)Cc2ccccc2)oc2ccc(F)cc12 41653589 OQYFQKAPNQLKRK-UHFFFAOYSA-N 389.448 3.615 0 40 GHAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 47081074 NVVYHMJLWTWAGW-SJLPKXTDSA-N 398.528 3.856 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(Br)o2)cc1 48356295 YEROFMYBWJKZNL-LLVKDONJSA-N 379.254 3.500 0 40 GHAB Cn1ccnc1CN1CCC(C(=O)N[C@@H](c2cccs2)C2CCCC2)CC1 53108548 JMFVLFAZGYZVJA-HXUWFJFHSA-N 386.565 3.741 0 40 GHAB Nc1c(Cl)cc(NC(=O)CCC(=O)N2CCc3sccc3C2)cc1Cl 55208193 HQLCTNJCJJFCSU-UHFFFAOYSA-N 398.315 3.941 0 40 GHAB O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccc2c(c1)OCO2 55833545 FNQLQWVLDFZNSD-UHFFFAOYSA-N 392.386 3.737 0 40 GHAB Cc1cc2nn(-c3ccc(Br)cc3)nc2c(Br)c1N 57353821 ZYMNINKSWYZHCQ-UHFFFAOYSA-N 382.059 3.836 0 40 GHAB CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3n3c(C)nnc23)c1 64948980 SWNOMPDWAGPSHX-UHFFFAOYSA-N 391.456 3.519 0 40 GHAB O=S(=O)(c1cccnc1N1CCC[C@H]1c1cccs1)N1CCCCC1 68659532 GQEBUSSCCQOWMF-HNNXBMFYSA-N 377.535 3.659 0 40 GHAB COc1ccc2cc(C(=O)N[C@H](C)c3cccc(N4CCOC4=O)c3)[nH]c2c1 68664103 HHVGJHFJOQHWPX-CYBMUJFWSA-N 379.416 3.624 0 40 GHAB CC(C)(C)OC(=O)N[C@H](c1noc([C@H]2CC(c3ccccc3)=NO2)n1)C1CC1 71905139 NMAFZUFXGHJUQN-CVEARBPZSA-N 384.436 3.911 0 40 GHAB CCc1nccn1-c1cncc([C@@H]2CCCN(Cc3ccc(OC)cc3)C2)n1 72355485 YZDNCOJTTLNXGC-GOSISDBHSA-N 377.492 3.613 0 40 GHAB COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)CN2CCCCCC2)c1 72380345 XKIQKYHNCBNGDQ-FQEVSTJZSA-N 382.508 3.625 0 40 GHAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)C(O)=Nc1cccnc1O2 79483958 UDKSDZAESYQNFU-UHFFFAOYSA-N 391.383 3.850 0 40 GHAB COCCn1ccc2c(C(=O)NC3CCN(Cc4ccccc4)CC3)cccc21 79485898 XVGWRBJXHDWZOA-UHFFFAOYSA-N 391.515 3.682 0 40 GHAB O=C(c1csc2c(Cl)cccc12)N1CCn2c(nnc2C(F)(F)F)C1 94993221 WUCGWLCFJFDFSF-UHFFFAOYSA-N 386.786 3.821 0 40 GHAB C[C@H](Cc1cccnc1)OC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 95463459 PYPPOHMIIWUURS-QGZVFWFLSA-N 395.480 3.844 0 40 GHAB O=C(O)COc1ccc(S(=O)(=O)Nc2csc(-c3ccccc3)c2)cc1 95466054 GFCIBCLEHNFZLA-UHFFFAOYSA-N 389.454 3.679 0 40 GHAB COCCN(C)c1ccc(NC(=O)c2csc(-c3ccc(OC)cc3)n2)nc1 95966963 RKTANJBLCNAELA-UHFFFAOYSA-N 398.488 3.549 0 40 GHAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)cn1 96062669 BHELVTHSAUIJOT-UHFFFAOYSA-N 382.427 3.868 0 40 GHAB O=C(CCCc1nnc2ccccn12)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21 96118117 NIIMOFAXJPMUTO-SFHVURJKSA-N 391.450 3.866 0 40 GHAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)Oc2ccccc21 96243022 VCQYDLCMRAKSBU-QGZVFWFLSA-N 396.487 3.574 0 40 GHAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C/c1ccc(F)c(Br)c1 96635098 POZNAJAJQZWVQQ-AWNIVKPZSA-N 390.164 3.661 0 40 GHAB O=C(Nc1nc2c(s1)CCCCC2)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 100770456 BOMLIJOBOPJEMS-LDSOLPTJSA-N 397.548 3.938 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)NCc1ccccc1CN1CCCCC1 105282033 WZZWPKCBMGBCHR-UHFFFAOYSA-N 380.488 3.650 0 40 GHAB C[C@H](NC(=O)COC(=O)/C=C/c1ccc(Br)o1)[C@@H]1C[C@H]2CC[C@H]1C2 108335300 KJFXYJGNXRYXOF-NNRBJKAJSA-N 396.281 3.539 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 138407643 GRKHPOLSJMDPKX-UHFFFAOYSA-N 380.469 3.977 0 40 GHAB Cc1cc(N2CCC(NC(=O)Nc3cccc(-c4ncco4)c3)CC2)nc(C)n1 152431101 VITDHHFIOHBITI-UHFFFAOYSA-N 392.463 3.539 0 40 GHAB COc1ccc([C@H]2CCCCN(C(=O)c3cnn(-c4ccccc4)n3)C2)cc1 206882423 GUWKETRHSIKVSE-SFHVURJKSA-N 376.460 3.686 0 40 GHAB CC(C)CCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccccc1 217480366 FIIJSWMPXKZUGF-OAHLLOKOSA-N 390.505 3.882 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222521917 PPIBFXBTWAEDGI-CYBMUJFWSA-N 380.897 3.535 0 40 GHAB CC(C)Oc1cccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 222583319 YALOACQJZQFXGM-UHFFFAOYSA-N 388.489 3.656 0 40 GHAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223868784 QNYHKUUZUJJFRT-JKSUJKDBSA-N 389.517 3.858 0 40 GHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223869279 URZRFXZUQGNBOT-SCLBCKFNSA-N 395.908 3.778 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C 224136037 ZACPFSMUDKICCQ-FQEVSTJZSA-N 382.504 3.626 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 224266102 UZWHWEWBNOQBFE-OAQYLSRUSA-N 396.531 3.934 0 40 GHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 224457233 KBUHONHWFUPTKD-LJQANCHMSA-N 396.531 3.817 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 224690703 KNUQOBRTYGFREU-QGZVFWFLSA-N 398.569 3.574 0 40 GHAB CCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224974707 IDJRZGBTIUZBFK-UHFFFAOYSA-N 399.921 3.820 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC)c3ccc(C)cc3)ccc21 225395807 XBIJGRZFTABUCG-LJQANCHMSA-N 386.517 3.724 0 40 GHAB OC1(c2csc(CN3CCc4ccccc4C3)n2)CCN(C2CCCC2)CC1 225473549 HKYKGMRAGINNBY-UHFFFAOYSA-N 397.588 3.927 0 40 GHAB biogenic,in-vitro O=C(CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1)Nc1ccccc1 225496360 GZDVIGHHFCWQOV-MOPGFXCFSA-N 394.525 3.754 0 40 GHAB CC(=O)Nc1ccc(C(=O)N2CCC(Oc3cccc4cccnc34)CC2)cc1 225705626 HCCGPJKSUZQIIA-UHFFFAOYSA-N 389.455 3.877 0 40 GHAB Cc1ccccc1C(=O)Nc1cc(Br)c2nc(NN)sc2c1 226309518 UWCUATVFQJPMJJ-UHFFFAOYSA-N 377.267 3.905 0 40 GHAB C[C@H]1C[C@@H]1C(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)CC1 257223670 DYKCBWRZISJALL-JXFKEZNVSA-N 394.490 3.785 0 40 GHAB CC(C)C(=O)N1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1C(F)(F)F 257338191 YWJDIXAPSMJSRO-IAGOWNOFSA-N 382.426 3.843 0 40 GHAB COc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCc2ccc(C)cc2)n1 260724323 ZCHNBMVEMHIINY-HNNXBMFYSA-N 385.537 3.517 0 40 GHAB CCc1ccccc1NC(=O)N1CC[C@]2(CC[C@@H](C(=O)NCC3CC3)O2)[C@@H](C)C1 306128021 GNWLNBUCZNCVOW-ITSWEJNFSA-N 399.535 3.567 0 40 GHAB Cc1ccc(C(=O)N2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)o1 306131367 KCORGNDBMGDYPC-FQEVSTJZSA-N 388.427 3.511 0 40 GHAB O=S(=O)(Nc1ccccc1O[C@H]1CCOC1)c1csc2ccccc12 507969940 YKDVUIWGBPTVGW-ZDUSSCGKSA-N 375.471 3.870 0 40 GHAB CCCNC(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H](OC)c2ccc(OC)cc2)cc1 536815368 KSJNICJTLHZWRQ-MGPUTAFESA-N 399.491 3.733 0 40 GHAB Cc1ccccc1CS(=O)(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 546563604 NJWVDNXMNBAQEQ-UHFFFAOYSA-N 397.287 3.824 0 40 GHAB CO[C@H](CNC(=O)Nc1ccc(N(C)C(C)=O)cc1)c1cccc(Cl)c1 608294034 QFINYNKVONXFNW-GOSISDBHSA-N 375.856 3.832 0 40 GHAB CO[C@@H](C(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(C)cc1)[C@@H]1CCOC1 622845991 WPEQRHUQHUFNEH-VQIMIIECSA-N 387.501 3.894 0 40 GHAB COc1cccc2c1CC[C@@H]2NC(=O)N[C@H](Cc1ccccc1)c1ncco1 654490752 RWISLRIEWDGBDH-RBUKOAKNSA-N 377.444 3.954 0 40 GHAB COCc1cc(N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c2cc(F)ccc2n1 685914294 YZETYZFWVWJLDT-QFIPXVFZSA-N 377.419 3.621 0 40 GHAB Cc1cc(NC(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)O3)ccc1F 1549161992 MAKXKFXRNICSQI-UHFFFAOYSA-N 397.450 3.865 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)c(O)n1 1615119483 INOJORRHTBNUAP-QFIPXVFZSA-N 383.467 3.898 0 40 GHAB CCc1ccc2c(c1)CN(Cc1nnnn1-c1ccc(C(F)(F)F)cc1)CC2 1655931119 BTYBBPICOLMZCR-UHFFFAOYSA-N 387.409 3.802 0 40 GHAB Cc1cc(OC[C@H]2CCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)ccn1 1775972206 CVSWUEYRZBJRGM-KRWDZBQOSA-N 376.460 3.711 0 40 GHAB COC(=O)c1cnc(SCC(C)C)n(-c2ccc(C(F)(F)F)cc2)c1=O 2087109172 DHXIYZYTLMLOKX-UHFFFAOYSA-N 386.395 3.786 0 40 GHAB O=C(NCCCc1ccccc1)c1cc(=O)[nH]c2ccc(Br)cc12 71328473 TUKARQWDAHTWNP-UHFFFAOYSA-N 385.261 3.653 0 40 GHAB COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NCc2ccc(C)cc2)cc1 1328889 ZFSQTMICJQTPOJ-HXUWFJFHSA-N 379.412 3.811 0 40 GHAB O=Cc1cc(Br)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 2658960 HJKHQZOJHMSWIA-KRWDZBQOSA-N 388.261 3.834 0 40 GHAB CCOc1ccc(CN(C)C(=O)c2ccc3nc(C)c(C)nc3c2)cc1OC 32740680 NKYROKOUGNORHZ-UHFFFAOYSA-N 379.460 3.926 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(CCC3CCCCC3)n2N)c(C)c1 7140257 DZZRYHKSLNFUGV-UHFFFAOYSA-N 387.553 3.852 0 40 GHAB CCc1nc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cs1 53020565 YLEUDHYSYUBEPP-UHFFFAOYSA-N 379.913 3.915 0 40 GHAB CCOc1ccc(NC(=O)c2nnn(-c3cc(Cl)ccc3OC)c2C)cc1 2715839 KKEOEBDBNJAFKS-UHFFFAOYSA-N 386.839 3.889 0 40 GHAB Cc1ccc(CSCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 10967503 BHXXIEJEPNRQSG-HNNXBMFYSA-N 377.531 3.509 0 40 GHAB CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1C(=O)OC(C)C 2748631 PYBWIVRQHRNOEB-UONOGXRCSA-N 379.478 3.790 0 40 GHAB CCCOc1ccc(C(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc1 12352258 PZIQBYYHUGDYRS-UHFFFAOYSA-N 393.472 3.572 0 40 GHAB CCN(C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1nc2ccccc2s1 23053978 OPPBVVXDYRFRHX-AWEZNQCLSA-N 383.473 3.795 0 40 GHAB CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1c(Cl)cccc1Cl 989114 QWKGFZZTZICWPZ-CQSZACIVSA-N 396.226 3.513 0 40 GHAB C[C@H]1CN(S(=O)(=O)c2ccc(-c3nc4ccccc4s3)cc2)C[C@H](C)O1 3183157 ZMVSSGNWNQCKSA-KBPBESRZSA-N 388.514 3.761 0 40 GHAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(Br)s1 58195244 WWIZSFINZOKHTE-UHFFFAOYSA-N 375.194 4.000 0 40 GHAB Cc1nn(C)c2ncc(CNCC3(c4ccccc4Cl)CCOCC3)cc12 106251472 MVYMYMYEKVYIHU-UHFFFAOYSA-N 384.911 3.768 0 40 GHAB Cc1ccc(Cl)c(OCC(=O)N[C@H](c2ccccc2F)c2nccn2C)c1 12507515 VHAASGJNLULIDU-LJQANCHMSA-N 387.842 3.806 0 40 GHAB Cc1ccc(C)c(SCC(=O)OCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 103076242 IGIORBKYTVMXGL-BRSBDYLESA-N 375.534 3.880 0 40 GHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 57766334 AFLPAWMJGMGHBV-MRXNPFEDSA-N 389.455 3.970 0 40 GHAB O=C(NCCc1nc(-c2cccs2)no1)c1ccccc1Br 35673170 ATFDMDPZBQZFTD-UHFFFAOYSA-N 378.251 3.533 0 40 GHAB NC(=O)C1CCN([C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)CC1 20509631 ZHRXXKHEQQGSDW-SFHVURJKSA-N 396.878 3.677 0 40 GHAB COc1ccc(N(C(=O)c2ccc(Cn3cncn3)cc2)[C@@H](C)C2CC2)cc1 58370608 VMRNOEUVBNDSRW-INIZCTEOSA-N 376.460 3.780 0 40 GHAB CC1(C)NC(=O)N(CCSc2nc(-c3cccs3)nc3ccccc23)C1=O 28007504 IEIXPZNEQAEFCC-UHFFFAOYSA-N 398.513 3.781 0 40 GHAB O=C(CSc1nc(=O)n(Cc2ccccc2)c2c1CCC2)c1ccc(F)cc1 28286735 UDIDFXSAIQRRGU-UHFFFAOYSA-N 394.471 3.894 0 40 GHAB Cc1nnc([C@@H](C)Sc2nnc(N3CCC(C)CC3)n2Cc2ccco2)o1 48189081 JWHSAEHCFHKENZ-CYBMUJFWSA-N 388.497 3.700 0 40 GHAB CCc1nc2ccccc2c(C(=O)OCC(=O)N(C)Cc2ccccc2)c1C 3301762 WPRJHOKCLOICJJ-UHFFFAOYSA-N 376.456 3.921 0 40 GHAB Cn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1C(F)(F)F 3337821 DEKORXPJCAAHDE-UHFFFAOYSA-N 375.763 3.830 0 40 GHAB COc1ccc2cc(CNC(=O)[C@H](C)NC(=O)c3ccccc3Cl)ccc2c1 11123624 JFRVITGAAQIUBB-AWEZNQCLSA-N 396.874 3.937 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1C 3321709 IMYCCQMCLHEPMP-UHFFFAOYSA-N 383.231 3.936 0 40 GHAB COC(=O)C[C@H](NC(=O)c1cc(F)ccc1Br)c1cccs1 45793629 XARGXEBJTCQWQE-LBPRGKRZSA-N 386.242 3.684 0 40 GHAB Cc1ccc(-n2c(SCc3nccn3C)nc3ccccc3c2=O)cc1F 48355215 VAAROOQOKGYXDL-UHFFFAOYSA-N 380.448 3.859 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)c2ccc(F)cc2n1 48365026 UAGBJMATLJHNTN-ZDUSSCGKSA-N 398.463 3.630 0 40 GHAB C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)NC(=O)NC(C)(C)C 12861770 RXNWXBBEWQAMJU-LBPRGKRZSA-N 398.488 3.995 0 40 GHAB CCCOc1ccc(C(=O)CCC(=O)NCC(=O)Nc2ccccc2CC)cc1 12904378 FUEPWNJABGHFJT-UHFFFAOYSA-N 396.487 3.756 0 40 GHAB COc1ccc(CN(C)[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1F 12923865 UABHTEZXIDUIFU-HXUWFJFHSA-N 383.423 3.943 0 40 GHAB COc1cc2c(cc1OC)CN(C[C@H](O)COc1cccc3ccccc13)CC2 12904141 XTMOHFIHFNGVFG-FQEVSTJZSA-N 393.483 3.655 0 40 GHAB O=C(NC1CCCC1)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl 13039736 LZPIQQNXVSUQJO-UHFFFAOYSA-N 396.871 3.952 0 40 GHAB CC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3nc(-c4ccccc4)no3)C2=O)cc1 13096644 CRYUDSHWRAYNAD-JOCHJYFZSA-N 390.443 3.827 0 40 GHAB COc1cc(CN(C)CC(=O)NCc2cccc(Cl)c2)ccc1OC(F)F 13095720 DZYTYEMFYDQTKJ-UHFFFAOYSA-N 398.837 3.698 0 40 GHAB CCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 28209018 FVALFLJJQYASHH-UHFFFAOYSA-N 392.477 3.615 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)N1CCc2ccccc21 5211671 CVECEMVCSMXDQA-UHFFFAOYSA-N 395.846 3.580 0 40 GHAB COc1ccccc1NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1 6353622 PELADUWZDSAAQH-UHFFFAOYSA-N 377.824 3.688 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc2c(c1)NC(=O)CCS2 14200541 LXKHDXONKWNRBR-UHFFFAOYSA-N 392.484 3.579 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 14398464 NNFOKHJMLXPYSD-MOTZXUDYSA-N 384.907 3.965 0 40 GHAB O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccco1)Nc1ccccc1 4738803 JYBJVAJZUUUUAK-LJQANCHMSA-N 389.411 3.646 0 40 GHAB O=C(c1cccc2c1OCCO2)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66708235 VOVOIRQTXUPHEL-KRWDZBQOSA-N 394.254 3.978 0 40 GHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccc(C)cc1 4943474 HTXXKBIBSSQRBE-UHFFFAOYSA-N 381.432 3.725 0 40 GHAB O=C(COc1ncnc2ccc(Br)cc12)Nc1ccccc1F 7779894 SMSSKFIBNLJBBR-UHFFFAOYSA-N 376.185 3.549 0 40 GHAB O=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1F)N1CCCCC1 16121571 WSUIXTPDRNGDAO-UHFFFAOYSA-N 396.871 3.906 0 40 GHAB Cc1cccn2c(=O)cc(CN3CCC[C@H]3c3nc4ccccc4s3)nc12 8076505 KQXGNYHEFIJHIG-KRWDZBQOSA-N 376.485 3.950 0 40 GHAB COc1ccc(CCNC(=O)CCCc2nc3ccccc3s2)cc1OC 16601263 XHQHHSSCHGZNQB-UHFFFAOYSA-N 384.501 3.995 0 40 GHAB CCc1ccc(N(CCCC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1 113962239 BCSSTJQVAPZMSJ-UHFFFAOYSA-N 396.459 3.712 0 40 GHAB CC(CNC(=O)Cc1n[nH]c(=O)c2ccccc12)(c1ccccc1)c1ccccc1 9156443 WHJKCNFJHFNVOA-UHFFFAOYSA-N 397.478 3.588 0 40 GHAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)NCCc1ccccc1 8177062 UYCHAVBHRUANGU-CYBMUJFWSA-N 388.518 3.583 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(-c4ccccc4)on3)sc2c1 27793338 CZECORRHRTUQHM-UHFFFAOYSA-N 399.453 3.607 0 40 GHAB CCN(CC)CCSc1nnc(CN2CCCCC2)n1Cc1ccccc1 96003412 UNQDLBOOIYZUQY-UHFFFAOYSA-N 387.597 3.746 0 40 GHAB COc1cc(C(=O)N2CC[C@H](CSc3ccccc3)C2)cc(OC)c1OC 72303139 BOVHKBFALFFSMC-HNNXBMFYSA-N 387.501 3.967 0 40 GHAB CCNC(=O)c1cc(NC(=O)c2c(F)c(F)cc(F)c2F)nc2ccccc12 95979653 GBWYDFADTMURKP-UHFFFAOYSA-N 391.324 3.793 0 40 GHAB CCc1nc(C2(NC(=O)c3cc4ccc(OC)cc4nc3C)CCCC2)no1 89289987 URJUQXHENUFLCW-UHFFFAOYSA-N 380.448 3.697 0 40 GHAB CCC(=O)N1CCc2cc(C(=O)N[C@H]3CCCC[C@H]3OC3CCCC3)ccc21 89941730 WUUHYKBBTDLTIJ-PZJWPPBQSA-N 384.520 3.986 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22397511 MOOVQCBDYYMFNB-QGZVFWFLSA-N 388.533 3.762 0 40 GHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)o3)C2=O)cc1 409115034 JTZFNPCEGAESSB-MHWRWJLKSA-N 386.429 3.662 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(F)cc3)C(=O)[C@H]2C1 408681400 JGZARESEVFCGGX-WMZOPIPTSA-N 378.403 3.924 0 40 GHAB Cc1ccc(CC(=O)N2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)cc1 306133630 MRTLDPRVDHVXNV-VWLOTQADSA-N 398.510 3.518 0 40 GHAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 409343259 DFXBTGWSDHUIIB-BOPFTXTBSA-N 396.468 3.987 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc(O)c(OC)c1 408730166 FXOBQYSAXADEEC-IBGZPJMESA-N 382.416 3.509 0 40 GHAB O=C(C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 39964095 OCIJLBCPZCRQKY-KRWDZBQOSA-N 380.835 3.769 0 40 GHAB Cc1nccn1-c1cccc(C2CCN(C(=O)CCOc3ccccc3)CC2)n1 72379256 OZECSZCAFHDISD-UHFFFAOYSA-N 390.487 3.751 0 40 GHAB O=C(Nc1cc(Cl)ccc1Cl)C1=C(c2ccccc2)S(=O)(=O)CCO1 32092425 ZILHCXIHYQLZAC-UHFFFAOYSA-N 398.267 3.746 0 40 GHAB Cc1nc(NC(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)sc1C 36359545 VCKPBNYFRFMXQQ-UHFFFAOYSA-N 394.547 3.547 0 40 GHAB CC(C)Oc1ccccc1CNc1cc(COc2ccccn2)nc(N(C)C)n1 72373199 SNAAMXPELOXRCR-UHFFFAOYSA-N 393.491 3.916 0 40 GHAB CC(C)OCCCNC(=O)CC1(CN2Cc3ccccc3C2=O)CCCCC1 1565524898 SKPPFHZKJRZQBG-UHFFFAOYSA-N 386.536 3.914 0 40 GHAB Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)c3cnc(C)nc3C)n2)n1 72375483 WMRFHKZPQHTIHA-KRWDZBQOSA-N 394.504 3.974 0 40 GHAB CCc1nc2ccccc2n1CC(=O)NC1CCN(Cc2cccc(C)c2)CC1 48363954 QPTZYWZWEVXWTE-UHFFFAOYSA-N 390.531 3.688 0 40 GHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1N1CCCCS1(=O)=O 222574798 ZIKGYPXKGLACOD-HNNXBMFYSA-N 390.480 3.555 0 40 GHAB O=C(CCCNC(=O)c1nc2ccccc2s1)Nc1cccc2cccnc12 49030716 PEZRLVRLYGFUAH-UHFFFAOYSA-N 390.468 3.993 0 40 GHAB Fc1ccc(Nc2ncnc3c2cnn3C2CCNCC2)c(C(F)(F)F)c1 228919909 XZCXLQBLXKHLOZ-UHFFFAOYSA-N 380.349 3.652 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)c1 224828360 GNRABOZJACTRSP-RTBURBONSA-N 380.473 3.604 0 40 GHAB Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 224295772 HYXBCWHNTXKODA-UHFFFAOYSA-N 382.489 3.627 0 40 GHAB COc1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 225863762 JBOFYXUHWMOVPD-UHFFFAOYSA-N 394.518 3.812 0 40 GHAB Cc1nc(Cn2cc(-c3cc(C(=O)NC4CC4)c4ccccn34)nc2C)cs1 96154960 SGAOERSETHJSGK-UHFFFAOYSA-N 391.500 3.817 0 40 GHAB O=C(NC[C@@H]1CCCOC1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257276048 NSDSCTITRDTMPD-FQEVSTJZSA-N 394.515 3.631 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)c2csc(C)c2)c2ccccn2)CC1 257231617 GHMDMMCOVWNJKO-MBOZVWFJSA-N 385.533 3.865 0 40 GHAB Cn1cc(-c2nc(C(=O)N[C@H]3CC(C)(C)Oc4cc(F)ccc43)cs2)cn1 675820652 PKFVDKHUDQLGKT-AWEZNQCLSA-N 386.452 3.715 0 40 GHAB CNC(=O)N(C)c1ccc(NC(=O)Nc2cc(C)n(-c3ccccc3)n2)cc1 1216286546 NOGRVUNBPLQHLJ-UHFFFAOYSA-N 378.436 3.600 0 40 GHAB CCOc1ncccc1CNC(=O)N1CCC(c2ccc3cccnc3n2)CC1 654370555 PFELTJUBGFNBEQ-UHFFFAOYSA-N 391.475 3.513 0 40 GHAB COCc1cccc(-c2cnc3n2CCN(C(=O)c2cccc(F)c2C)CC3)c1 585111374 QZUAZJSFJJWIGL-UHFFFAOYSA-N 393.462 3.843 0 40 GHAB Cc1nnc(NC(=O)c2cc(Br)c(Br)s2)s1 14714952 VCXJUVHKTXEFOY-UHFFFAOYSA-N 383.090 3.685 0 40 GHAB COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCCC(=O)O)cc1 5794179 BZTQOGCCYWZUPG-HXUWFJFHSA-N 380.444 3.936 0 40 GHAB Cc1nc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)nn1-c1ccc(F)cc1 13021214 ZGERQDVNHKMPGB-LLVKDONJSA-N 390.365 3.807 0 40 GHAB Cc1nc2ccccc2c(=O)n1CCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 19286610 PBZNKIKNKVOWQD-OAQYLSRUSA-N 381.451 3.748 0 40 GHAB O=C(C[C@H](c1ccccc1)N1CCOCC1)N1CCc2[nH]c3ccccc3c2C1 19656338 SSEFRZFAEKLTNE-HSZRJFAPSA-N 389.499 3.516 0 40 GHAB O=C(CSc1ccc2ccccc2n1)N1CCN(Cc2ccccc2)CC1 19691381 NFQCOBUQSBDTGU-UHFFFAOYSA-N 377.513 3.671 0 40 GHAB COC(=O)c1c(C)nc2ccn(-c3ccccn3)c(=O)c2c1-c1ccc(F)cc1 19819240 DPPWCPTZWIXKSL-UHFFFAOYSA-N 389.386 3.682 0 40 GHAB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Br 5360918 AVFNTOHSJZQTLT-LZYBPNLTSA-N 395.169 3.720 0 40 GHAB CCc1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)O)[nH]1 7342385 CXQPCLIWEORHHO-ZROIWOOFSA-N 386.389 3.753 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1ccc(C(F)(F)F)nc1 1888944484 OTIHYJFTVKJQBO-LLVKDONJSA-N 382.363 3.885 0 40 GHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCc1cccs1 25147473 QAZGNILIKPUVAW-UHFFFAOYSA-N 381.379 3.891 0 40 GHAB CCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)c1nc2ccccc2s1 31625381 OSHKRUFJNYCOSP-UHFFFAOYSA-N 381.379 3.530 0 40 GHAB O=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]1 4250501 VPHBRNHHGGXYBC-UHFFFAOYSA-N 391.452 3.642 0 40 GHAB CCCCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2N)cc1 4855272 FPTMSPFZAKVFJT-UHFFFAOYSA-N 395.532 3.656 0 40 GHAB COc1ccc(-n2nc3c(c2NC(=O)COc2ccc(F)cc2)CSC3)cc1 5077511 NCGMVEUTCJZQIP-UHFFFAOYSA-N 399.447 3.784 0 40 GHAB O=C(NCc1nnnn1C1CCCCC1)c1cc(Br)ccc1Cl 10594205 IJPSCVQLUBNSBW-UHFFFAOYSA-N 398.692 3.524 0 40 GHAB Cc1ccccc1CC(=O)N1CCC(COc2ccc(C(C)(C)C)nn2)CC1 1775965985 OMMWJYTXMTYCQD-UHFFFAOYSA-N 381.520 3.943 0 40 GHAB CCN1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(N)=O)C1 4087077 ZJXDKSAWKJFGJM-UHFFFAOYSA-N 398.315 3.784 0 40 GHAB C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)cc1 40115608 GMVSWYRHCVKMNZ-ZDUSSCGKSA-N 380.897 3.522 0 40 GHAB Cc1nc(C(F)(F)F)ccc1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 31158625 UFXPHVIVSYWLNJ-INIZCTEOSA-N 378.350 3.586 0 40 GHAB Cc1nc(COc2ccc(C(=O)N3CCCc4cc(F)c(F)cc43)cc2)no1 46222864 JPMBSSRWPWZAPQ-UHFFFAOYSA-N 385.370 3.828 0 40 GHAB Cc1c(C(=O)Nc2ccc(Br)cc2)nnn1-c1cccc(F)c1 2692813 DIPBYQMTKVHBOI-UHFFFAOYSA-N 375.201 3.730 0 40 GHAB O=C(Nc1nc(CN2CCOCC2)cs1)C(c1ccccc1)c1ccccc1 21128677 HPZCMJMSBLHKHQ-UHFFFAOYSA-N 393.512 3.746 0 40 GHAB COc1ccc(CNC(=O)[C@@H](OC(=O)c2ccco2)c2ccc(OC)cc2)cc1 1381060 DJZLBBJELRQAAH-FQEVSTJZSA-N 395.411 3.511 0 40 GHAB Cc1ccc(NC(=O)CSc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 2717759 VBYXLZCZQHEWPP-UHFFFAOYSA-N 391.456 3.560 0 40 GHAB COCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1 3507832 PJBWVIGOTSFZJO-UHFFFAOYSA-N 382.489 3.631 0 40 GHAB CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(Cl)cc3)n2)cc1 4973946 BPMOUIVXNBQBAM-UHFFFAOYSA-N 385.855 3.811 0 40 GHAB CCOC(=O)c1sc(NC(=O)Cn2cc(C=O)c3ccccc32)c(C#N)c1C 6711914 IIYWUQZKYZNSCL-UHFFFAOYSA-N 395.440 3.511 0 40 GHAB Cc1cccc(N(CC(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)c1C 6728308 DUCCBQVBIBYCBZ-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB CCOc1cc(C(=O)Nc2cccc(I)c2)ccc1OC 7264814 MNPDYTNOPRTJSA-UHFFFAOYSA-N 397.212 3.951 0 40 GHAB O=C(CCNC(=O)c1ccc(Br)cc1)OCc1ccccc1Cl 7476770 TVTQCKJWWQTPKY-UHFFFAOYSA-N 396.668 3.966 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)N3CCCCC[C@H]3c3cccn3C)cnc12 32902677 IWWCMLFKOOYQKB-FQEVSTJZSA-N 392.503 3.577 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)N1CCCC1 8041628 RGRRGLAGGVUCTN-GOSISDBHSA-N 382.460 3.727 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2C)cc1Cl 8415855 RCJQVHWPGWRYNK-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)cc2)c1 8417502 QFIUZKSILBNALX-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB COc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cc(C)ccc1C 8433438 JSFRJGRRVMMCBM-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB CCCCc1ccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 8480790 DVJMQLFKGZGSBA-UHFFFAOYSA-N 396.459 3.712 0 40 GHAB Cc1cc2oc(=O)cc(COC(=O)C(=O)c3c(C)nn(C)c3C)c2cc1C(C)C 8778236 ZXUQAXAGJVCMNB-UHFFFAOYSA-N 396.443 3.501 0 40 GHAB CCOc1ccccc1N(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O 628896 RWPMYBASWKWQLQ-UHFFFAOYSA-N 390.505 3.613 0 40 GHAB C[C@H](NC(=O)[C@@H](C)N1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 23248941 VLFYJEQKEWNILC-ZWKOTPCHSA-N 385.939 3.724 0 40 GHAB COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCC(C)C)cc(Cl)c1O 728759 SVHKRDIJWTUUEY-INIZCTEOSA-N 396.871 3.614 0 40 GHAB CN(Cc1cccs1)C(=O)CN1CCN(Cc2cccc3ccccc23)CC1 22790590 KZLDGCVFZBOWJV-UHFFFAOYSA-N 393.556 3.678 0 40 GHAB O=C(c1ccccc1Oc1ccccc1)N1CCC(C(=O)N2CCCC2)CC1 22991659 BUASNTGQJGCGEO-UHFFFAOYSA-N 378.472 3.954 0 40 GHAB COC(=O)C(C)(C)NC(=O)c1ccc(-c2cccc(Br)c2)nc1C 23176676 QXLCCCQRKSUNEQ-UHFFFAOYSA-N 391.265 3.501 0 40 GHAB COc1cccc2c1N(C(=O)CSc1nc(C)cc(O)n1)C(C)(C)C=C2C 9938239 FPUYECQAQSJBKV-UHFFFAOYSA-N 385.489 3.820 0 40 GHAB COC(=O)c1cc(NC(=O)CSc2nc3ccccc3[nH]2)ccc1Cl 983244 PXSFIJHWWKDLGU-UHFFFAOYSA-N 375.837 3.734 0 40 GHAB Cc1ccc(Nc2nc(N(C)CCO)nc3c2cnn3-c2ccccc2)cc1C 17052898 JQXXEEDNQWWUIP-UHFFFAOYSA-N 388.475 3.604 0 40 GHAB Cc1cc(C(=O)COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c(C)c(C)c1C 24280963 KOZOVCQELXXMRK-UHFFFAOYSA-N 387.520 3.931 0 40 GHAB CC(C)C[C@H](N)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 1260691 SBWKGVAFLBYPCG-LBPRGKRZSA-N 399.314 3.609 0 40 GHAB CCOc1ccc(NC(=S)N[C@@H](NC(=O)CC)C(Cl)(Cl)Cl)cc1 1787029 JULCQOBRZWZJMK-GFCCVEGCSA-N 398.743 3.594 0 40 GHAB Cc1c(-c2ccccc2)nn2c(O)cc([C@H](C)n3ncc4ccccc4c3=O)nc12 100223784 RKRZVZMIBQDTEZ-HNNXBMFYSA-N 397.438 3.730 0 40 GHAB O=C(CCCc1nc(-c2cccs2)no1)NCCN1CCCc2ccccc21 47924376 FCONSOJTGIBXPI-UHFFFAOYSA-N 396.516 3.690 0 40 GHAB CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1cccc2ccccc12 58024569 AEVXHJMDGQOMML-FQEVSTJZSA-N 383.469 3.731 0 40 GHAB CCN(c1ccc(NC(=O)CSc2nnc3nc(C)cc(C)n23)cc1)C(C)C 3221380 BBZMBBZTQFYXCB-UHFFFAOYSA-N 398.536 3.707 0 40 GHAB COc1cc(N[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1N1CCCC1=O 10185138 SXILVKWJILVWJV-YFHUEUNASA-N 387.524 3.563 0 40 GHAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)Cc1ccc(OC(F)(F)F)cc1 58228025 ADMOLUGVZAELLD-UHFFFAOYSA-N 376.338 3.860 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccccc1F 2194750 CXDZVQYQMUTOTD-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB COc1ccc(OC)c(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)c1 36366503 OBWHKVYIMZSJNM-UHFFFAOYSA-N 399.374 3.627 0 40 GHAB Cc1cc(CN2CCN(C(=O)c3cc4c(s3)-c3ccccc3OC4)CC2)no1 36396327 MDNDRFNSZYTYSH-UHFFFAOYSA-N 395.484 3.562 0 40 GHAB O=C(CNc1ccccc1C(=O)NC1CC1)Nc1ccc(Cl)cc1Cl 10754929 OOOQNKQDGADEEM-UHFFFAOYSA-N 378.259 3.936 0 40 GHAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)C2=O 3362569 SKOHIRINWGGPIS-UHFFFAOYSA-N 391.471 3.793 0 40 GHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@H]3COc4ccccc43)c12 58728199 JKDQZLNNDZXWNJ-IBGZPJMESA-N 384.439 3.807 0 40 GHAB Cc1nc(NC(=O)CCS(=O)(=O)C2CCCC2)sc1-c1ccccc1 48231556 FCUHCKOWAHMXTG-UHFFFAOYSA-N 378.519 3.805 0 40 GHAB O=C(Nc1ccccc1)c1ccc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 11292562 QQHNXOIEKQMEAF-NRFANRHFSA-N 399.450 3.602 0 40 GHAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 48302587 XYJVNGQVWLVCCV-IJEWVQPXSA-N 390.471 3.731 0 40 GHAB O=C(CCn1c(=O)oc2ccccc21)N1CCc2[nH]c3ccc(Cl)cc3c2C1 48365290 TXTCGXJJUCZRFI-UHFFFAOYSA-N 395.846 3.704 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NNc1ncc(C(F)(F)F)cc1Cl 12895433 RASGQFXIBAPQRI-UHFFFAOYSA-N 383.754 3.507 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)c2nc(SC)ncc2Cl)c1 12817609 MXBTYPLCTQMCML-UHFFFAOYSA-N 378.885 3.586 0 40 GHAB O=C1CN(C(=O)CSc2ccc(Br)cc2)c2ccccc2N1 3525002 QUTHLTZYBGXHHC-UHFFFAOYSA-N 377.263 3.527 0 40 GHAB O=C1CC[C@@]2(C(=O)OCc3nc4ccccc4s3)Sc3ccccc3N12 3567889 JNVMFPMNHMFPFZ-IBGZPJMESA-N 382.466 3.969 0 40 GHAB Cc1cc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)ccc1F 12923404 XTUXHEZYSYVQKL-JOCHJYFZSA-N 390.458 3.792 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)c1 12910946 XWXRIWLIUVJLSI-INIZCTEOSA-N 382.460 3.819 0 40 GHAB Cn1c(=O)c2sccc2n2c(CSCc3cccc(Cl)c3)nnc12 63128853 XDKLVVXTDOJISI-UHFFFAOYSA-N 376.894 3.730 0 40 GHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 8428986 HAHGIWVAQVMLFB-UHFFFAOYSA-N 394.302 3.841 0 40 GHAB CCOc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(CC)cc2)cc1 5034086 GLECMUZRZYFEIU-AWEZNQCLSA-N 397.504 3.743 0 40 GHAB CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccs1 4337790 OSWNWMHKDDFXMF-INIZCTEOSA-N 388.876 3.615 0 40 GHAB Cc1csc([C@](O)(CC(=O)N2CCC(c3ccccc3)CC2)C(F)(F)F)n1 65479483 URZPFYOOHRXJDN-GOSISDBHSA-N 398.450 3.998 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(CCCN(C)C)C3=O 8590458 RLEGBVSFNLTTCM-HXUWFJFHSA-N 394.446 3.737 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(C)cc(C)c2)cc1 26534365 KTRSIKABQCUZJV-UHFFFAOYSA-N 388.533 3.905 0 40 GHAB Cc1nc(-c2ccc(NC(=O)Nc3c(C)nn(C(C)C)c3C)cc2)cc(=O)[nH]1 69741211 WEUISYLAGQIGBV-UHFFFAOYSA-N 380.452 3.784 0 40 GHAB CN1C(=O)N(C)[C@@]2(c3ccccc3)NC(=O)N(c3ccccc3)[C@]12c1ccccc1 4762857 ODQIUXKUOIJIPS-RPWUZVMVSA-N 398.466 3.919 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccccc1C)S2 6811871 UQVDZNDXNYSEFJ-OALUTQOASA-N 393.516 3.855 0 40 GHAB Cc1ccccc1NC(=S)Nc1cccc(S(=O)(=O)N2CCCC2)c1 5898489 ONPXWHJJPOGQJX-UHFFFAOYSA-N 375.519 3.588 0 40 GHAB C[C@H](Sc1nc2ccccc2o1)C(=O)c1ccc(NS(C)(=O)=O)cc1 7026257 KMCGEBMVHSVIBH-NSHDSACASA-N 376.459 3.563 0 40 GHAB Cc1c(N2C(=O)[C@@H](C)S[C@H]2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 8716656 ZVFAEGAKCSDRSQ-SZNDQCEHSA-N 397.475 3.791 0 40 GHAB CCc1cc2c(CSc3nncn3-c3ccccc3)cc(=O)oc2cc1O 7677870 WICRYVYSMHXXNE-UHFFFAOYSA-N 379.441 3.934 0 40 GHAB Cc1nc([C@H](NC(=O)Nc2cccc(Cl)c2N(C)C)c2ccccc2)n[nH]1 69292346 IKJIPCLSZJRSKO-MRXNPFEDSA-N 384.871 3.744 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc(-c2cccc(C(=O)O)c2)o1 71283699 GPAYFGRVDPVINU-CYBMUJFWSA-N 381.388 3.839 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(-n4cnc5ccccc54)cc3)cc2NC1=O 9379337 BTMKLCQVYDEIIZ-AWEZNQCLSA-N 398.422 3.997 0 40 GHAB C[C@@H]1CCc2c(sc3ncnc(S[C@H](C)C(=O)NC[C@@H]4CCCO4)c23)C1 9643466 GBRAFFJMSGOOER-UPJWGTAASA-N 391.562 3.592 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(NC(=O)C2CC2)cc1 28045295 PQTHHHODBNHLFS-AWEZNQCLSA-N 384.501 3.563 0 40 GHAB C[C@H]1CCN(C(=O)c2cccc[n+]2[O-])c2ccccc2N1C(=O)OC(C)(C)C 72303176 FVYSRBSJHBMFLT-HNNXBMFYSA-N 383.448 3.501 0 40 GHAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 408554768 UHAFYIBEIIJPOI-UHFFFAOYSA-N 399.266 3.818 0 40 GHAB C[C@H](CNC(=O)Cc1ccc(-n2cccn2)cc1)c1nc2ccccc2s1 84638337 DHRDIMZOUQLZEN-OAHLLOKOSA-N 376.485 3.944 0 40 GHAB CC(C)(C)n1cc(C(=O)Nc2cccc(C(N)=O)n2)c(-c2ccccc2Cl)n1 95972195 OODUWAQZNFZSQD-UHFFFAOYSA-N 397.866 3.705 0 40 GHAB C[C@H](NCc1ccc(Cn2cncn2)cc1)[C@H]1CCCCN1C(=O)OC(C)(C)C 95996226 WUYUBSFUXRSZCJ-FXAWDEMLSA-N 399.539 3.594 0 40 GHAB Cc1ccc(OCc2nc(CN[C@@H]3CCCN(c4ncccn4)C3)cs2)cc1 95959235 FCVLNBHKBQHJOF-QGZVFWFLSA-N 395.532 3.579 0 40 GHAB CCn1cnnc1CCNc1nc(COC)nc2scc(-c3ccccc3)c12 95960351 METJKLYLCDVHGZ-UHFFFAOYSA-N 394.504 3.771 0 40 GHAB COC(=O)c1cc(OCC(=O)NC2CCCCC2)c2cc(Cl)ccc2n1 65033363 MSZJTPQGAGBIAP-UHFFFAOYSA-N 376.840 3.503 0 40 GHAB CSc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)c1 408596162 SZHWFLICODQRBD-UHFFFAOYSA-N 392.546 3.904 0 40 GHAB Cc1ccc(NC(=O)c2nc(-c3ccnn3C3CCCC3)n3ccncc23)nc1 306125966 DHOBXFDHAJNOGV-UHFFFAOYSA-N 387.447 3.664 0 40 GHAB Cc1nc(COc2ccccc2C(=O)Nc2ccc3c(c2)CC(=O)N3)cs1 505941261 MTQUEFFCTKWGPF-UHFFFAOYSA-N 379.441 3.777 0 40 GHAB Cc1nc2ccc(C(=O)O[C@H](C)c3nc(-c4cccnc4)no3)cc2nc1C 32901637 SFILRVQABHLHCR-CYBMUJFWSA-N 375.388 3.610 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 35289354 MFPZWWPXWQNIEA-QGZVFWFLSA-N 396.871 3.579 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 60350808 HZRLWXZTUXRVKB-DOMZBBRYSA-N 377.366 3.885 0 40 GHAB O=C(C1CCOCC1)N1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 72362888 GIIJAEKNOYXTMT-INIZCTEOSA-N 385.439 3.541 0 40 GHAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C4CCCC4)nc32)c1 72371025 BODVSPXFIHOPOA-UHFFFAOYSA-N 394.519 3.647 0 40 GHAB O=C(O)c1ccc(NCc2ccco2)c(S(=O)(=O)NC2CCCCCC2)c1 217451768 OIOIITNIIPJSPZ-UHFFFAOYSA-N 392.477 3.591 0 40 GHAB O=C(CCc1ccccc1)Nc1nnc(SCCN2CCCCC2)s1 35316083 AGQLXORMXVUPEH-UHFFFAOYSA-N 376.551 3.687 0 40 GHAB O=C(O)c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1N1CCCCC1 217587336 VDOWXQCKRMWOBU-UHFFFAOYSA-N 392.521 3.544 0 40 GHAB CC1=C[C@@H](CNC(=O)CN(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 72320802 XGLILAULCYYTFS-FHWLQOOXSA-N 382.552 3.638 0 40 GHAB biogenic,in-vitro COc1ccc(OC)c([C@H](C)NC(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 48063511 STHRLAPEPIEFFL-ZDUSSCGKSA-N 383.452 3.912 0 40 GHAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCC[C@H](n2c(=O)oc3ccccc32)C1 72347845 XAGSJYHYDVUZIM-WMZOPIPTSA-N 394.471 3.839 0 40 GHAB COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)C2CCCC2)c1 72377060 ACZNNNMVCYLSGF-LJQANCHMSA-N 380.492 3.978 0 40 GHAB CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 224894998 MZLOWRLHXCZEBJ-UHFFFAOYSA-N 382.869 3.522 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 220350845 LMZXHMZBNUSXBW-LSDHHAIUSA-N 394.924 3.680 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 224847952 ZXRJCHLKJLZPKT-MRXNPFEDSA-N 388.508 3.861 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(CC)cc1 224169526 UDODOZGUXBDWCQ-JOCHJYFZSA-N 396.531 3.880 0 40 GHAB O=C(CC1CCCC1)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 40096083 GJZSKBSGUVSYSQ-UHFFFAOYSA-N 383.414 3.962 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1N(C)S(=O)(=O)c1ccccc1 224197929 KQXGIAINKJFKMI-MRXNPFEDSA-N 386.517 3.692 0 40 GHAB CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224932731 HGFYTKGBJQRSFZ-UHFFFAOYSA-N 388.272 3.995 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)NCc3ccccc3OC)o2)c(OC)c1 224871609 AAMBCCNPNHKYTE-UHFFFAOYSA-N 396.443 3.616 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2cc(C)ccc2C)cc1Br 224874200 MGIZIGSPXJJWAD-UHFFFAOYSA-N 384.295 3.900 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 225373480 RZBGRAVYRJEFKT-RBUKOAKNSA-N 396.531 3.878 0 40 GHAB COc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 225712030 SGLVYMNSWZYBBS-NOEYKIMYSA-N 390.439 3.937 0 40 GHAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1 244468721 ZFSQSCKBXJJSOA-UHFFFAOYSA-N 379.504 3.548 0 40 GHAB O=C1N(Cc2cccc(Cl)c2)[C@@H](c2ccccc2)[C@H](O)CC12CCNCC2 257302534 SDFUYTCNDXBFBM-UXHICEINSA-N 384.907 3.544 0 40 GHAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)[nH]n1 257284229 PBUXOSXRSYECEW-CBGDNZLLSA-N 383.540 3.767 0 40 GHAB C[C@@H](CCc1ccccc1)Nc1cc(-c2c3c(nn2C)CCCC3)nc(N)n1 257261838 LIYXSCZFGXPUDL-HNNXBMFYSA-N 376.508 3.771 0 40 GHAB C[C@@H](CC(=O)Nc1cccc(-n2cc(C(=O)O)nn2)c1)c1c[nH]c2ccccc12 1604070047 BAIGOKUXWMTGFN-ZDUSSCGKSA-N 389.415 3.579 0 40 GHAB CC[C@@H](CNC(=O)C(=O)c1ccc(O)cc1)Cc1cccc(Br)c1 1136859003 YAHKVVLTCAEZIE-CYBMUJFWSA-N 390.277 3.723 0 40 GHAB Cc1ccc(CNC(=O)NCc2cnc(C(F)(F)F)nc2)c(OCC2CC2)c1 660872021 HIWHOHVYHKHIPG-UHFFFAOYSA-N 394.397 3.592 0 40 GHAB Cc1ccc(C2(CNC(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CCC2)cc1C 683987252 DGYMESGBSODQEG-OAQYLSRUSA-N 397.563 3.815 0 40 GHAB Cc1cc(C2(C(=O)N[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)CCOCC2)on1 625038994 GHDNZIRYZMALQD-GDBMZVCRSA-N 394.393 3.722 0 40 GHAB Cc1noc(C)c1CN1CC[C@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 585102028 OHCCBTITCWHADA-FQEVSTJZSA-N 391.874 3.965 0 40 GHAB FC(F)(F)c1nc(-c2ccc([C@@H]3CCCN(Cc4cscn4)C3)nc2)no1 585290732 VYXAHNDUYJZWQE-GFCCVEGCSA-N 395.410 3.987 0 40 GHAB Cc1ccc(C(C)(C)CC(=O)NC2(c3nc(C(C)C)no3)CCOCC2)cc1 585142314 SUBLARGUWGGKAL-UHFFFAOYSA-N 385.508 3.991 0 40 GHAB O=C(COc1ccc(Oc2ccccc2)cc1)Nc1cccc2c1OCC(=O)N2 685806968 PGRJHHIWLFPVMK-UHFFFAOYSA-N 390.395 3.827 0 40 GHAB Cn1c([C@@H]2CCCCN2Cc2ccnc(N3CCCC3)n2)nc2ccccc21 72348138 SHPSCSNZSMXQEW-FQEVSTJZSA-N 376.508 3.691 0 40 GHAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OC(C)C 1015709 BFENBUAJTCYBPP-LICLKQGHSA-N 384.407 3.714 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)cc1Cl 5153993 VCBXENGGWGLZRS-LBPRGKRZSA-N 390.892 3.846 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1C[C@H]1CCCO1 5215821 PQESHIPHIIOERK-YJYMSZOUSA-N 379.387 3.656 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2C)c1 5960407 ZYHOFFBDCCGSFX-UHFFFAOYSA-N 378.222 3.562 0 40 GHAB Cc1ccc2cc(CNc3ccc(N4CCC(O)CC4)cc3)c(=O)[nH]c2c1C 12088295 ORHUXVOKDVCDMW-UHFFFAOYSA-N 377.488 3.718 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3ccncc3)cc2N1 12182411 AFKRCPNMQBYNER-DAXOMENPSA-N 393.413 3.953 0 40 GHAB COc1ccccc1NC(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1 12222707 BQHUKBFPEFLZRG-UHFFFAOYSA-N 395.484 3.908 0 40 GHAB CCOc1ccccc1NC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13713115 HUZPODZQINVZLL-SFHVURJKSA-N 390.505 3.577 0 40 GHAB O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3ccc(F)cc3)C2)no1 19334050 GZSYVDCWMNDNQN-SFHVURJKSA-N 394.450 3.518 0 40 GHAB O=C(c1ccccc1-c1ccccc1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19374243 IBNFAZZBGXAOAF-QFIPXVFZSA-N 384.483 3.767 0 40 GHAB COc1cccc(OC)c1OC(=O)COc1ccc(C)cc1Br 19679721 HDJFRBWEJGRUDI-UHFFFAOYSA-N 381.222 3.759 0 40 GHAB Cc1ccc2c([C@H](O)CN3CCC4(CC3)C[C@@H](O)c3ccccc3O4)c[nH]c2c1 19219733 ZYDWBRSMUBUSOY-FGZHOGPDSA-N 392.499 3.860 0 40 GHAB O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc(-c2ccccc2Cl)no1 19716752 IYJNXJPGRVQBEQ-GFCCVEGCSA-N 399.809 3.669 0 40 GHAB Cc1cc(SCC(=O)OCC(=O)c2ccc3c(c2)OCO3)nc2ccccc12 6832133 JKFFQHNQJYWVAA-UHFFFAOYSA-N 395.436 3.790 0 40 GHAB CN(Cc1cccc(Cl)c1)C(=O)NCc1ccccc1CN1CCCC1=O 40069064 UGYYKXYTJSLPBM-UHFFFAOYSA-N 385.895 3.804 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037908975 JJKDNELOSPPEMA-HXUWFJFHSA-N 377.843 3.915 0 40 GHAB O=C(CCCc1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2 4224579 HRTXYGHPXPYQOF-NDEPHWFRSA-N 397.475 3.735 0 40 GHAB COc1ccc(-c2noc(CCC(=O)NCCc3ccc(Cl)cc3)n2)cc1 4933256 XHYCOHJTYKLGBX-UHFFFAOYSA-N 385.851 3.690 0 40 GHAB CCOc1ccccc1NC(=O)Cn1nc(-c2ccc(CC)cc2)ccc1=O 5397449 QIKKOIQWBVGANX-UHFFFAOYSA-N 377.444 3.510 0 40 GHAB COc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1N1CCCC1=O 5329637 RMDYNLZLEREINI-UHFFFAOYSA-N 388.489 3.548 0 40 GHAB COc1ccc(NC(=O)N2CCN3C(=O)c4ccccc4[C@@]23c2ccccc2)cc1 6668411 WBHOAXZOIMZZNO-XMMPIXPASA-N 399.450 3.900 0 40 GHAB CCn1cc(C(=O)Nc2ccc(F)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661439 XCCANIDANRZFCS-UHFFFAOYSA-N 376.391 3.550 0 40 GHAB CC[C@H](C)NC(=O)Cc1csc(SCC(=O)c2ccc(OC)cc2)n1 11695014 UFYZNQQHMCCXKU-LBPRGKRZSA-N 378.519 3.584 0 40 GHAB CCCc1nnsc1C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 36709449 LRTXYHJHTFXKGO-UHFFFAOYSA-N 390.490 3.884 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@H](c3cccs3)CC2)cc1 219540676 CYYLXWJGDCNNSH-KRWDZBQOSA-N 396.559 3.575 0 40 GHAB O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1nc2ccccc2s1 44006454 XRKKKEBJCCZIFT-UHFFFAOYSA-N 397.475 3.718 0 40 GHAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C(=S)Nc2ccc(C(F)(F)F)cc2)C1 100628931 LALFGEJDABZXOM-STQMWFEESA-N 393.434 3.683 0 40 GHAB biogenic O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(I)cc1 10407688 ACSJQFQAZNSLIS-UHFFFAOYSA-N 395.196 3.591 0 40 GHAB CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 40096355 HTVNAPDGQJVDGF-LJQANCHMSA-N 387.524 3.789 0 40 GHAB CC[C@@H]1CN(C(=O)COc2ccc3ccccc3c2Br)CCO1 30849069 LEQFVDLCQMPUJS-CQSZACIVSA-N 378.266 3.619 0 40 GHAB COC[C@H](C)NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 60387746 DACVRVGZWGQNPZ-KNBMTAEXSA-N 386.517 3.692 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(C(F)(F)F)cc1 32787523 XGPPBLVCPPUYPW-UHFFFAOYSA-N 376.378 3.758 0 40 GHAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(F)c(F)c1F 3359696 MDGKRBPCAKPSHX-UHFFFAOYSA-N 394.374 3.828 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccoc1C 4851988 UHWCFVKEEGYHOR-UHFFFAOYSA-N 385.493 3.663 0 40 GHAB COc1ccc([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C3=C2C(=O)OC3)cc1OC 4944671 ZDXWLUUPUBECMJ-KRWDZBQOSA-N 393.439 3.652 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1cccc(OC)c1OC 32960970 DIQYVLCMNKLXLI-BUHFOSPRSA-N 396.487 3.903 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCC2=O)cc1 7640174 URHXMKWVCTZHTP-UHFFFAOYSA-N 378.350 3.850 0 40 GHAB CCOc1cc(C(=O)Nc2ccccc2I)ccc1OC 10002984 BRVNCKRAXHDEJT-UHFFFAOYSA-N 397.212 3.951 0 40 GHAB COC(=O)c1ccc2nc(NC(=O)c3ccc(OC)c(Cl)c3)sc2c1 8904223 KPIUVNNABNDMRF-UHFFFAOYSA-N 376.821 3.997 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 12198629 VATDUNIUQURXHG-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)SCc1ccccc1 57557608 MMXQFRLZSWSRFS-CYBMUJFWSA-N 389.473 3.751 0 40 GHAB COc1ccc(NC(=O)[C@H]2C[C@@H](CC(C)C)N[C@]23C(=O)Nc2ccccc23)cc1 9044933 HXEBBNTUZKJLOZ-HFXUHXBXSA-N 393.487 3.506 0 40 GHAB COc1ccc(CNC(=O)Cc2cnc(-c3ccccc3F)s2)cc1OC 12321599 NRUZREWWSNYUCR-UHFFFAOYSA-N 386.448 3.825 0 40 GHAB C[C@@H]1CCc2c(sc3nnn(Cc4cccc(Br)c4)c(=O)c23)C1 958828 DKGCZIHCWQWFDD-SNVBAGLBSA-N 390.306 3.789 0 40 GHAB C[C@H]1CCc2nc(NC(=O)[C@H]3CCCN3C(=O)Cc3cccs3)sc2C1 55160564 QFBQJIZGQVTBOU-SWLSCSKDSA-N 389.546 3.502 0 40 GHAB O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)Nc1nncs1 55185427 CMLLCDHXFXNOOC-UHFFFAOYSA-N 378.413 3.718 0 40 GHAB CCOc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc(CCCO)nn32)cc1 100806462 JJJPBOJGHJGQDL-FQEVSTJZSA-N 376.460 3.658 0 40 GHAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3N3CCCN23)cc1 100639823 YBTVMJIMSMRMBB-VJBWXMMDSA-N 397.478 3.684 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)sc2c1 25172905 ZYBYUEFRKPXEBX-UHFFFAOYSA-N 382.445 3.663 0 40 GHAB COc1ccc(C2(CNC(=O)c3nc(Cl)ccc3Cl)CCOCC2)cc1 56452082 AQUYOZGMPNBYHA-UHFFFAOYSA-N 395.286 3.875 0 40 GHAB COc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccc(OC)c(OC)c2)C3)cc1 100766751 JVYFPZZCJBKULN-PMACEKPBSA-N 397.515 3.832 0 40 GHAB CC(C)CCN(CCC(C)C)C(=O)CSc1nnnn1-c1ccccc1 3297118 VNGPHTHROPEFAD-UHFFFAOYSA-N 375.542 3.675 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1C 3263112 XLQPDLFMAHXUBA-NRFANRHFSA-N 397.471 3.980 0 40 GHAB COc1ccc(CCNC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1OC 26519368 SSHXXHCTCQDSJV-UHFFFAOYSA-N 394.418 3.689 0 40 GHAB O=C(Nc1cccc2cccnc12)N1CCOC[C@H]1C[C@@H](O)c1cccs1 79058471 HYHFERKSRRMIQE-NVXWUHKLSA-N 383.473 3.653 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)CNC(=O)NCc2ccccc2)cc1 27161271 MEVIDVJPRTWNLX-OAQYLSRUSA-N 395.503 3.638 0 40 GHAB Cc1nnc(SCC(=O)Nc2cccc3ncccc23)n1-c1ccccc1 10100504 GNXQJPAGWQWVSZ-UHFFFAOYSA-N 375.457 3.855 0 40 GHAB COc1cc(OC)c(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC 3362178 PCHANUMOSNSNID-LLVKDONJSA-N 393.823 3.550 0 40 GHAB CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccccc2Br)CC1 58162597 SIMWDDIGCORYGG-UHFFFAOYSA-N 397.313 3.826 0 40 GHAB O=C(NC(=S)Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1 2136909 OBUDELBZERCQHP-UHFFFAOYSA-N 381.501 3.876 0 40 GHAB COc1cc(C(C)=O)ccc1OS(=O)(=O)c1cc(Cl)ccc1Cl 21821462 VEMGOYFXBHRLIT-UHFFFAOYSA-N 375.229 3.972 0 40 GHAB COc1cc(CCN2CCN([C@H](C)c3ccccc3)CC2)cc(OC)c1OC 22859362 AEEUODCKQZIBMJ-GOSISDBHSA-N 384.520 3.634 0 40 GHAB COc1cccc2cc(-c3csc(-c4cccc(C(N)=O)c4)n3)c(=O)oc12 58366740 UXADLKKNUAZFHI-UHFFFAOYSA-N 378.409 3.691 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)cc1 2216177 ZJYZCLPQFGKUEF-UHFFFAOYSA-N 379.416 3.793 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2N)c1 2349123 JIIRHPUNJSOHLP-UHFFFAOYSA-N 381.505 3.822 0 40 GHAB COc1ccc(OC[C@H](O)CN(Cc2ccc(F)cc2)Cc2ccco2)cc1 28580907 CCJMMUIWDDVQHQ-LJQANCHMSA-N 385.435 3.869 0 40 GHAB COc1cc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)ccc1OCc1ccncc1 48325069 IYASNQFGWLOTHF-GOSISDBHSA-N 395.286 3.869 0 40 GHAB Cc1nc2sccc2c(=O)n1NC(=O)Cc1ccc(-c2ccccc2)cc1 12823423 YXCSHIPOAJNDDF-UHFFFAOYSA-N 375.453 3.746 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 12890390 SYAHVTXTLXCWKG-UHFFFAOYSA-N 399.491 3.594 0 40 GHAB Cc1ncsc1CN1CC[C@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306143275 XXQHZCPSAYJRKX-FQEVSTJZSA-N 384.480 3.629 0 40 GHAB CNC(=O)c1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1 12913007 YCCGEHSYRBLQRX-JOCHJYFZSA-N 398.466 3.992 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(c3ccccc3Cl)CC2)c1 13061771 XKXSWPUHBUUSHH-UHFFFAOYSA-N 392.952 3.553 0 40 GHAB CC(=O)N[C@@H](C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)C(C)C 13006578 YXBIOVLBGUHLEG-OAHLLOKOSA-N 399.438 3.852 0 40 GHAB COc1cccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c1 27969796 ZFXKRORZVWZEQN-UHFFFAOYSA-N 386.249 3.955 0 40 GHAB C[C@@H](NC(=O)CSc1ccc2c(c1)CCC2)c1ccc(S(C)(=O)=O)cc1 8774728 IQPSRIFCWBCUKC-CQSZACIVSA-N 389.542 3.548 0 40 GHAB CC(=O)Oc1cccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)O)cs3)n2)c1 5274810 CQAKKWMELHTDFI-UHFFFAOYSA-N 397.334 3.638 0 40 GHAB C[S@](=O)c1ccc(C(=O)Nc2ccc(Sc3nncs3)cc2)cc1 65492397 STCNLCMOTSRSLB-XMMPIXPASA-N 375.500 3.679 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N(Cc1ccco1)C1=CCCCC1 5320228 RRHAPVCWTPOJBT-UHFFFAOYSA-N 399.491 3.711 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(Br)cc1)CC2 5306093 WTHZJDQVFGARKC-UHFFFAOYSA-N 376.250 3.665 0 40 GHAB COc1cc(C2=N/C(=C\c3ccc(Cl)s3)C(=O)O2)cc(OC)c1OC 14176562 MMVXEGTUVILKAW-FLIBITNWSA-N 379.821 3.772 0 40 GHAB COC(=O)C[C@H](NC(=O)c1oc2ccccc2c1C)c1ccc(OC)c(OC)c1 14380828 JVEUGGWXJMEWBM-INIZCTEOSA-N 397.427 3.793 0 40 GHAB Cc1ccc(N2C(=O)N(Cc3nnc(-c4ccc(F)cc4)o3)C(=O)[C@H]2C)cc1 6653081 NBPMCLFAWXFBMM-CYBMUJFWSA-N 380.379 3.541 0 40 GHAB COc1ccc(C(=O)Nc2nc([C@H]3COc4ccccc4O3)cs2)c(OC)c1 20462950 KGRVPWCBEYYVMW-GOSISDBHSA-N 398.440 3.925 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCO[C@@H](c2ccccc2F)C1 67257040 MVCUWHLQHFBBDF-HXUWFJFHSA-N 397.450 3.667 0 40 GHAB O=C(NCc1ccncc1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323958 QFELCLBFONKTSK-UHFFFAOYSA-N 389.459 3.584 0 40 GHAB COc1ccc(Cn2cnc3sc4c(c3c2=O)CCC4)cc1Br 7121431 FHUZISPOGPFWFN-UHFFFAOYSA-N 391.290 3.766 0 40 GHAB CCOCc1cc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1OC 7117656 MLWJHWFYYNKEBV-INIZCTEOSA-N 394.475 3.646 0 40 GHAB Cc1cccc2nc(COC(=O)c3cc(F)c(Cl)cc3Cl)cc(=O)n12 7550095 MAJZXBLPVZWLMX-UHFFFAOYSA-N 381.190 3.806 0 40 GHAB Cn1c(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cc(Cl)c1Cl 68029724 RMJLMHBPPBGLIY-LBPRGKRZSA-N 386.323 3.633 0 40 GHAB Cn1c(=O)cc(C(=O)NCCn2ccc3ccc(Cl)cc32)c2ccccc21 72403395 LZENGWIFOQPAAX-UHFFFAOYSA-N 379.847 3.577 0 40 GHAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 89518914 YRNGCHOFIOKSSY-ZHZWEUQESA-N 389.370 3.988 0 40 GHAB Cc1cccc(C)c1OCc1nnc(SCC(=O)NC2CCCCC2)n1C 409347681 QSOKTDYEMFRREJ-UHFFFAOYSA-N 388.537 3.552 0 40 GHAB Clc1ccc(COc2cccc(CNCCN3CCOCC3)c2)c(Cl)c1 23263517 CMJVVEKSDWDTOJ-UHFFFAOYSA-N 395.330 3.994 0 40 GHAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]21 306139998 UGKFTUPZUOJXOQ-RBBKRZOGSA-N 394.471 3.643 0 40 GHAB Cc1cc(=O)[nH]c2cc(Cl)c(S(=O)(=O)Nc3cccc(Cl)c3)cc12 217428857 AFBJFLPWOFWBOG-UHFFFAOYSA-N 383.256 3.944 0 40 GHAB CCCc1c(C(=O)NCCCn2ccnc2)nnn1-c1ccc(C(C)(C)C)cc1 525008199 ULOABDRTEMJKPK-UHFFFAOYSA-N 394.523 3.534 0 40 GHAB C[C@@H](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1nc2ccccc2c(=O)[nH]1 35313955 OTPPREYODGAMKO-KWJFTMPMSA-N 379.504 3.577 0 40 GHAB Cc1ccc(N2C(SCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1C 32640570 AADSQZCFZRSCGT-OALUTQOASA-N 386.542 3.578 0 40 GHAB CC(C)Cn1c(S[C@@H](C)C(=O)NC2CCCCC2)nnc1-c1ccncc1 32579429 ZHWKPJOPLLVLAJ-HNNXBMFYSA-N 387.553 3.926 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl 219203492 DCCSUDHQTUNLBF-UHFFFAOYSA-N 386.835 3.896 0 40 GHAB COc1ccccc1O[C@H](C)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875422 IRGWMRNEUDWEST-GOSISDBHSA-N 382.504 3.765 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1C 222524287 YESYECYKVJXXKL-CQSZACIVSA-N 394.924 3.844 0 40 GHAB COc1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)c2cccnc12 225732329 VODKAACKBDCRNE-IYBDPMFKSA-N 386.565 3.898 0 40 GHAB NC(=O)COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)c1 40284388 XAZAIZMJVYLVNZ-INIZCTEOSA-N 396.834 3.513 0 40 GHAB CC[C@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(OC)c(C)c1 223288702 ICFMXFRTFZTRQX-KRWDZBQOSA-N 390.505 3.565 0 40 GHAB COc1ccc2nc(C[C@H]3CN(C4CCCCC4)CC[C@H]3CC(=O)O)[nH]c2c1 514289092 NYHJTSBZNYSUOS-HOTGVXAUSA-N 385.508 3.860 0 40 GHAB biogenic,in-vitro Cc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)c2ccc(Cl)cc2)C3)cc1 96269231 SUOPYVJTAPXPGJ-SFHVURJKSA-N 381.863 3.841 0 40 GHAB biogenic,in-vitro Cc1ccc2occ([C@@H]3CC(=O)Oc4ccc5c(C)cc(=O)oc5c43)c(=O)c2c1 96220961 QFIPSPQZGQNRLQ-AWEZNQCLSA-N 388.375 3.957 0 40 GHAB biogenic CC1(C)Oc2cc(O)ccc2[C@H]2OCC3(CCN(C(=O)c4ccon4)CC3)C[C@@H]21 257264452 LULDUXTYVMCEAL-QFBILLFUSA-N 398.459 3.551 0 40 GHAB Cc1nc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)sc1C 257249527 JIUBTQDPOUSQCC-RWYMCCIASA-N 396.516 3.686 0 40 GHAB Cc1ccc(C)c(CN2CCOC[C@@]3(CC(=O)N(Cc4ccccc4)C3)C2)c1 585103976 HTNOKFGHGKMTGV-DEOSSOPVSA-N 378.516 3.555 0 40 GHAB CCCc1cnc(Nc2cccc(C3CCN(C(=O)CN(C)C)CC3)n2)s1 585262884 CGFYSPIWLVUAOP-UHFFFAOYSA-N 387.553 3.502 0 40 GHAB COC(=O)[C@@](C)(NCc1cc(Cl)nc(Cl)c1)c1cc(F)ccc1F 68827250 KPFLSDUOMKRPEN-INIZCTEOSA-N 375.202 3.845 0 40 GHAB Cc1csc(N(C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c2ccccc2)n1 101099330 IVENGAHBUVOSKA-CALCHBBNSA-N 397.500 3.682 0 40 GHAB COc1cc(C2=C/C(=C3/N=C(C)OC3=O)c3ccccc3O2)cc(OC)c1OC 2137903 AETFPRYYXBAUSS-HKWRFOASSA-N 393.395 3.832 0 40 GHAB biogenic COc1cc(NC(=O)/C=C/c2ccco2)ccc1N1C(=O)c2ccccc2C1=O 8111560 NKVZMMACYOKKNR-PKNBQFBNSA-N 388.379 3.741 0 40 GHAB Cc1cc(-c2cncnc2C2CCN(C(=O)Nc3ccccc3F)CC2)on1 12118309 XGYMZROOGPFQEH-UHFFFAOYSA-N 381.411 3.991 0 40 GHAB O=C(CCc1ccccc1)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 12129458 BAMDUGJPENGAEE-GOSISDBHSA-N 393.512 3.768 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12751353 HYXUIXUQEOTSAG-RBUKOAKNSA-N 379.504 3.523 0 40 GHAB CCCn1c(=O)n(CCC(=O)Nc2cc(OC)c(OC)cc2C)c2ccccc21 16231650 VQEAIXOTDKNYSP-UHFFFAOYSA-N 397.475 3.567 0 40 GHAB COc1cc(CN2CCC[C@H](c3nn(C)c4nccnc34)C2)ccc1OC(C)C 19450764 QLSGQKAXCQXEJP-KRWDZBQOSA-N 395.507 3.539 0 40 GHAB CCc1ncc(CN2CCC[C@@H]2c2cc(CCOc3ccccc3F)[nH]n2)cn1 19703757 PHEOCRUSNGGWNF-HXUWFJFHSA-N 395.482 3.860 0 40 GHAB O=C(CCc1nc2ccccc2oc1=O)Nc1nnc(C2CCCCC2)s1 19715612 NYKVBDZDHGECPM-UHFFFAOYSA-N 384.461 3.659 0 40 GHAB Cn1cc(C(N)=O)c(CC2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)n1 19756296 NRGMGDIKKPCOBI-UHFFFAOYSA-N 388.515 3.641 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccco2)C(=O)O)[nH]1 7342181 AXBKZBQTKLNUFA-JYRVWZFOSA-N 377.809 3.945 0 40 GHAB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 8325778 KRLJBJDTZMANLB-VUBLIPMDSA-N 386.292 3.514 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCCCC[C@@H]1c1nn(C)cc1Cl 12120213 HOGVUMJYMSNZBA-CQSZACIVSA-N 377.872 3.848 0 40 GHAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)CCC2CCCCC2)[nH]c(=O)c1C 12126803 XGWZJTHXCXNGPB-UHFFFAOYSA-N 383.496 3.749 0 40 GHAB Cc1ccc2c([C@@H](O)CN3CCC4(CC3)C[C@H](O)c3ccccc3O4)c[nH]c2c1 19219736 ZYDWBRSMUBUSOY-VXKWHMMOSA-N 392.499 3.860 0 40 GHAB CCOc1ccccc1-n1nnnc1SCC(=O)c1c(C)[nH]c2ccccc12 3571471 BQTXPJDXHUTYTO-UHFFFAOYSA-N 393.472 3.826 0 40 GHAB COCCO[C@@H]1CCC2(CCN(C(=O)C3(F)CCC3)CC2)c2ccccc21 1614928755 RBSSSQMWUCZFGC-LJQANCHMSA-N 375.484 3.937 0 40 GHAB COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)c1 4279487 GFDGUOMKCSLAKP-HXUWFJFHSA-N 395.459 3.587 0 40 GHAB CC(C)CC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 5136670 GSPJIAVLSZPIRA-UHFFFAOYSA-N 390.480 3.952 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 5268535 ZHKHYGSZGWGMQB-UHFFFAOYSA-N 389.883 3.980 0 40 GHAB COc1c(Br)cc(Br)cc1CNCc1ccncc1 7274794 FYHDNWWRGRKEBF-UHFFFAOYSA-N 386.087 3.905 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2c(F)cccc2Cl)N2CCOCC2)cc1 23105763 XDGBDUUNSXFUTI-GOSISDBHSA-N 376.859 3.591 0 40 GHAB CCOc1ccccc1NC(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 206845426 KXHRQPIFBKYXHO-MRXNPFEDSA-N 394.431 3.766 0 40 GHAB COc1nn(C)cc1C(=O)Nc1nc2ccc3nc(SC)sc3c2s1 36640471 DRJCJNRZCGPDHI-UHFFFAOYSA-N 391.503 3.622 0 40 GHAB CC(C)CS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2ccc(SC(C)C)cc2)C1 585146919 MXJGTXFUOLSZTJ-LJQANCHMSA-N 397.606 3.791 0 40 GHAB C[C@](O)(CNS(=O)(=O)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1 77184243 XYILZSSMPKTABK-NRFANRHFSA-N 385.460 3.679 0 40 GHAB CCCc1nnc(NC(=O)CCCc2nc(-c3ccc(OC)cc3)no2)s1 30571064 FNOPBURROWQEBM-UHFFFAOYSA-N 387.465 3.511 0 40 GHAB O=C1CC(c2ccccc2)CC(=O)C1C(=O)Nc1cccc(C(F)(F)F)c1 100684103 QQAOUPFDIPIDJL-UHFFFAOYSA-N 375.346 3.976 0 40 GHAB COc1cccc(-n2cnc3cc(C(=O)N[C@H](C)c4ccccc4)ccc3c2=O)c1 32072948 QSDPYXJMHDGSSW-MRXNPFEDSA-N 399.450 3.885 0 40 GHAB O=C(Nc1ccncc1)c1ccc2c(c1)C(=O)N(CCCc1ccccc1)C2=O 32070165 FCETWKKXSJAXDM-UHFFFAOYSA-N 385.423 3.563 0 40 GHAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 32094765 QNEOUKYGYHRGQP-MECCDNJOSA-N 375.472 3.625 0 40 GHAB Cc1n[nH]c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)n1 11706201 CDBNMPBMEMPOCQ-UHFFFAOYSA-N 399.442 3.853 0 40 GHAB CN(C)[C@H](CNC(=O)NCc1ccccc1OC(F)(F)F)c1cccs1 29655255 ABUZDGSAXHIDGL-CYBMUJFWSA-N 387.427 3.749 0 40 GHAB Cc1cc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)ccc1Br 32655603 VWXQCCPLVBYNBE-UHFFFAOYSA-N 392.644 3.639 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(C3CCCCC3)o2)c(OC)c1 1223394 UWDLJRGDLFBGHI-UHFFFAOYSA-N 377.466 3.865 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)c1cccs1 21495986 IBNDFYVLKVZDFB-QGZVFWFLSA-N 382.489 3.757 0 40 GHAB CCCCCCOC(=O)OCCNC(=O)[C@H](C)OC(=O)OCCCCCC 4416869 HSMLJLDRTDMWRF-INIZCTEOSA-N 389.489 3.958 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c(F)c1 6113491 YANFPWYNFJNMCB-UHFFFAOYSA-N 396.212 3.701 0 40 GHAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4ccco4)C3=C(O)C2)cc1OC 102675061 GYAZCLMAIWSGJW-XCLFUZPHSA-N 392.415 3.954 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 6945111 XOQHDUJXKJQADF-GOSISDBHSA-N 388.533 3.804 0 40 GHAB C[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 7645419 QMHITYOLNPFDOS-LBPRGKRZSA-N 376.250 3.640 0 40 GHAB CCc1ccccc1N1C[C@@H](C(=O)Oc2ccc(Br)cc2)CC1=O 7928772 SCHLLCBVMRZINL-AWEZNQCLSA-N 388.261 3.970 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718355 GJYBCBFKESOKIT-LLVKDONJSA-N 379.243 3.994 0 40 GHAB COC[C@H](C)n1c(S[C@H](C)C(=O)c2ccccc2)nc2ccccc2c1=O 12003160 BFBFXYJDLGNBBO-LSDHHAIUSA-N 382.485 3.967 0 40 GHAB CC1CCN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)CC1 10326076 BSLQNAQCQWCZKQ-KRWDZBQOSA-N 398.528 3.699 0 40 GHAB COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)ccc1OC(C)C 2766058 XSQRHECHQUSESB-XLIONFOSSA-N 380.444 3.652 0 40 GHAB biogenic Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C)c1 10958389 OGCBIOUFZYDUSD-GOSISDBHSA-N 386.517 3.651 0 40 GHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 46829807 LPGWGSAUFOCETG-LSTHTHJFSA-N 376.497 3.961 0 40 GHAB Cc1nnc(SCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)n1Cc1ccccc1 102761461 JPNXWUXTYKWEKI-JEDBISTDSA-N 384.549 3.668 0 40 GHAB Cc1c(Br)c(C(F)F)nn1[C@H](C)c1nnc(-c2ccncc2)o1 2803736 YQKZHHOCBQAGBA-MRVPVSSYSA-N 384.184 3.946 0 40 GHAB CCNC(=S)Nc1ccc2c(c1)nc(CSc1nc(C)cc(C)n1)n2C 12322914 IJRBYEXFHNVHBS-UHFFFAOYSA-N 386.550 3.579 0 40 GHAB CN(C)[C@@H](CNC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1Cl 23080285 BTUACYKXCSSONW-SGWGQVFISA-N 380.879 3.716 0 40 GHAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)[C@H](C)c3ccccc3)n(C)n2)CC1 100687697 ZRPGULSCSIITAH-GGPKGHCWSA-N 382.552 3.675 0 40 GHAB COc1ccc2cc(CN(C)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)ccc2c1 23760991 HLCFZKOCNUDAGW-HJPURHCSSA-N 395.503 3.738 0 40 GHAB Cc1cccc(N2C(=O)/C(=C\Nc3ccccc3C(=O)O)c3ccccc3C2=O)n1 24204301 OOGSRMRHYZTVPH-AQTBWJFISA-N 399.406 3.728 0 40 GHAB Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-n2cccn2)cc1 24577626 UOXNVJQQWPPGQS-UHFFFAOYSA-N 392.278 3.744 0 40 GHAB Cc1ccc(C)c(SCC(=O)OCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 103076232 IGIORBKYTVMXGL-MLHJIOFPSA-N 375.534 3.880 0 40 GHAB O=C(Cn1nnc2ccccc21)N1CCC[C@H]1c1cccc(Br)c1 55785300 SHHBQVNGRDEWJQ-INIZCTEOSA-N 385.265 3.558 0 40 GHAB COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c1 25538822 QHVOQEUCAPZAMA-UHFFFAOYSA-N 382.504 3.785 0 40 GHAB O=C(CNc1ccccc1N1CCCC1=O)Nc1cccc(Br)c1 12514879 LEGQUMGNYAXWQP-UHFFFAOYSA-N 388.265 3.627 0 40 GHAB O=C(NC1CCCCC1)NC1C[C@H]2CC[C@H](C1)N2C(=S)NC1CCCCC1 100433903 ASSISOVLAIKDBR-RTBURBONSA-N 392.613 3.821 0 40 GHAB CCCCOC(=O)c1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 1801408 WYCRXBHKUSYSPT-UHFFFAOYSA-N 387.432 3.922 0 40 GHAB biogenic CC(=O)c1cccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@@H]3C2(C)C)c1 100251765 WUSGXUBAWGNOOR-BTYIYWSLSA-N 396.516 3.980 0 40 GHAB CCOc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)c1 27664645 DEXRGSVRJLIZKU-UHFFFAOYSA-N 385.445 3.873 0 40 GHAB CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(OC)cc3OC)NC(=O)CN21 2122504 CAGIDCZCAHBXQS-LCJITAHGSA-N 392.499 3.903 0 40 GHAB biogenic CCCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 28290271 RQUTVMWMMGDAMB-GOSISDBHSA-N 392.521 3.620 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2ccc(F)cc2Cl)cc1 36396417 DGIGSKYTKTUBGJ-GFCCVEGCSA-N 383.872 3.984 0 40 GHAB COc1ccc(CN2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 28404943 KRWSSFDOGLTEBU-CYBMUJFWSA-N 393.270 3.989 0 40 GHAB C[C@H](SCc1ccc(Br)cc1)C(=O)Nc1ccccc1C(N)=O 12787128 LYVCHCVIKSNWBI-NSHDSACASA-N 393.306 3.808 0 40 GHAB Cc1cc(C)c2cc(C(=O)OCC(=O)N3CCC(c4ccccc4)=N3)[nH]c2c1 36626479 PXRHMEJSMBDRQC-UHFFFAOYSA-N 375.428 3.578 0 40 GHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(Br)cc1 12747218 DZEJJVFMNMDYMU-UHFFFAOYSA-N 384.237 3.690 0 40 GHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1cccc(Cl)c1 11557749 CPBLMUZIUYDDMU-UHFFFAOYSA-N 383.761 3.595 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1OC 12795652 MCHYRAXOQLTUGR-KRWDZBQOSA-N 383.444 3.842 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)CCNC(=O)c2cccc(C)c2)cc1OCC 12773950 ZKPDNSIENBKMRU-QGZVFWFLSA-N 398.503 3.790 0 40 GHAB CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 48343416 CTSSOLWHTUXGES-UHFFFAOYSA-N 375.472 3.808 0 40 GHAB O=C(COc1ccc2ccccc2c1)N1CCC[C@H](c2nnc3ccccn23)C1 12801520 AQCNGULMGXAHGS-IBGZPJMESA-N 386.455 3.668 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1ccc(Br)c(C)c1)c1ccccc1 3562169 FCVRNXBCLVCEEM-QGZVFWFLSA-N 375.266 3.964 0 40 GHAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(OC(F)F)c2)CC1 3553033 QANHMEMHDLEBDV-UHFFFAOYSA-N 395.837 3.946 0 40 GHAB O=C(NCCc1cccc2cccnc12)[C@H]1CC(=O)N(c2ccccc2Cl)C1 12974891 OTIZMPZBBDOFNK-KRWDZBQOSA-N 393.874 3.600 0 40 GHAB C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)c1ccc(Cl)cc1 12995548 MMHUZOJXQDSZHA-STQMWFEESA-N 392.908 3.542 0 40 GHAB Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1C 12995606 UNNYWXREOQCGEB-UHFFFAOYSA-N 378.519 3.792 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)c2cncc(Br)c2)c(OC)c1 13009176 ODNOUNDOPQTPDV-MRXNPFEDSA-N 391.265 3.839 0 40 GHAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)OCc2cc(F)cc3cccnc23)cc1 63997025 DMXMADUPCDQOBR-UHFFFAOYSA-N 377.375 3.518 0 40 GHAB Clc1cccc(-c2nc(CN3CCC[C@@H](CN4CCOCC4)C3)co2)c1 69855911 JMCQCNZHLZWMMU-INIZCTEOSA-N 375.900 3.539 0 40 GHAB O=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1cc2ccccc2[nH]1 13692666 BZTOLUCOOLNENK-UHFFFAOYSA-N 376.243 3.635 0 40 GHAB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1ccc(Br)cc1 13943342 UVGWELIDSGMDNB-UZYVYHOESA-N 385.217 3.704 0 40 GHAB O=C(NC1CCCCCC1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944846 AHEPPHKAWGPZHP-INIZCTEOSA-N 385.483 3.537 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CSc3ccc(F)cc3)CC2)c(F)c1 8720939 QIYUFQYHANWQDL-UHFFFAOYSA-N 390.455 3.608 0 40 GHAB Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccn(Cc2ccccc2Cl)n1 28304680 AIVYOELWGSGMAJ-UHFFFAOYSA-N 397.788 3.747 0 40 GHAB Cc1ccc(CNC(=O)COCC(=O)N(c2ccccc2)c2ccccc2)o1 4681164 XWCLQWXGQMZDNV-UHFFFAOYSA-N 378.428 3.586 0 40 GHAB CC[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(OC(C)C)c(F)c2)C1=O 6662693 DRRBTNXJWOGFOH-SFHVURJKSA-N 399.418 3.636 0 40 GHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CCCC2)cc2c1OCCO2 8720749 VIYOFGTZLDEMQY-NRFANRHFSA-N 380.444 3.976 0 40 GHAB CCCCc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2N)cc1 5676341 YMEBSQPLMAVUSP-UHFFFAOYSA-N 399.495 3.871 0 40 GHAB CCN(CC)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 4995458 DQNSYXCAHBOJCV-UHFFFAOYSA-N 394.924 3.712 0 40 GHAB COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccccc3F)oc12 67293873 SERAIARZJJGRBF-APDGPGDQSA-N 396.418 3.722 0 40 GHAB COc1ccccc1N1CC(=O)N(c2ccccc2F)[C@H](c2ccccc2)C1=O 15413576 XCLZVZJTTJBQSA-JOCHJYFZSA-N 390.414 3.955 0 40 GHAB Cc1occc1-c1nnc(SCc2cc(=O)oc3c(C)c(O)ccc23)n1C 7236350 IQIXUTDGFVVNAK-UHFFFAOYSA-N 383.429 3.796 0 40 GHAB O[C@@H](COc1ccccc1Cl)CN1CCN(Cc2ccc(Cl)cc2)CC1 26919778 WXMUXZMPUHSZBW-GOSISDBHSA-N 395.330 3.551 0 40 GHAB O=C(NC1CCCCC1)[C@H](Sc1nnnn1-c1ccccc1)c1ccccc1 9027077 LLZZXTVNLUOILC-LJQANCHMSA-N 393.516 3.945 0 40 GHAB O=C(Nc1cccc2cnccc12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 7655338 QUNSVRZNRFZHTK-UHFFFAOYSA-N 395.484 3.662 0 40 GHAB CN(C)[C@H](CNC(=O)CSc1nccn1-c1cccc(F)c1)c1ccccc1 8230589 BQHKKGMLYMALFL-LJQANCHMSA-N 398.507 3.523 0 40 GHAB CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1ccc(-n2cccn2)cc1)C1CC1 96010475 ZYNDSVQBXVBLRM-GOSISDBHSA-N 385.464 3.609 0 40 GHAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(-n2cnnn2)cc1 9446495 MGIZOHAHMJHIDT-UHFFFAOYSA-N 397.438 3.931 0 40 GHAB CCc1c(C(=O)Nc2cccc(OC(F)(F)F)c2)nnn1-c1ccccc1 19910927 VGSNZBJZAUJOHH-UHFFFAOYSA-N 376.338 3.981 0 40 GHAB COC(=O)c1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)nc1C 84064487 HMLZOCNOXFEXAK-MNOVXSKESA-N 384.379 3.999 0 40 GHAB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1)C(=O)c1ccccc1 408640123 ALLOUROEBRJNLD-AZUAARDMSA-N 379.456 3.861 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1OCC 72330972 RVZLDCCPTAYSIX-UHFFFAOYSA-N 397.471 3.697 0 40 GHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(-n2cncn2)cc1 9996126 IPVREZGOAWXHLX-UHFFFAOYSA-N 399.458 3.505 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)c(C)c1C(=O)O 89626541 JTWCLWVVNUNXEV-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB CC[C@@H]1CN(c2nccc3c(Br)cccc23)CCN1CCOC 89949229 ZIRRXNQSMBYJIJ-CQSZACIVSA-N 378.314 3.544 0 40 GHAB COc1cc2ccccc2cc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 21842076 QMMOZERNZRIOHJ-IBGZPJMESA-N 396.512 3.713 0 40 GHAB Cc1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C)n(-c2ccccc2F)n1 36614328 HYJRMFMGSWMZCF-UHFFFAOYSA-N 390.422 3.731 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 39758084 JIMIPWSFSHUUGX-LJQANCHMSA-N 396.531 3.799 0 40 GHAB CC(C)c1cccc2c(=O)c(C(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)c[nH]c12 526052605 UBRKBSVIKOHDBK-JXFKEZNVSA-N 381.520 3.646 0 40 GHAB biogenic CCc1nnc(Nc2cc([C@H]3CCCN3Cc3cccnc3)nc(C)n2)s1 72360216 TYAGJAMBHXAYHO-MRXNPFEDSA-N 381.509 3.675 0 40 GHAB Cn1ncc(C(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@H]32)c1Cc1ccccc1 529684972 MYHTYGDLYNJLTH-IOMROCGXSA-N 377.875 3.732 0 40 GHAB C[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(OC(F)(F)F)cc1 32817069 SAKNCFAHIPMEBJ-SECBINFHSA-N 381.276 3.678 0 40 GHAB CCn1ccc([C@H](C)NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)n1 36616634 UBUUDVVNPCCKIL-LBPRGKRZSA-N 394.504 3.713 0 40 GHAB O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N(Cc1ccccc1)C1CC1 31069185 NXRUUVRLEFJICV-UHFFFAOYSA-N 398.528 3.666 0 40 GHAB O=c1c2nnc(SCc3ccc(Cl)cc3)n2ccn1-c1ccc(F)cc1 64593294 KTCCLYQZGVBFIC-UHFFFAOYSA-N 386.839 3.965 0 40 GHAB CCC(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(=O)NC)CC1 72345130 QQKHORUKZIVFCF-UHFFFAOYSA-N 378.516 3.969 0 40 GHAB CSc1nc2ccc3nc(NC(=O)c4c(C)cnn4C)sc3c2s1 38506381 DVMSMWNOWXRSSE-UHFFFAOYSA-N 375.504 3.922 0 40 GHAB CC(C)(C)[C@H](NC(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)c1ccccc1 566714692 PLNLFDAXWBGEBM-KJWQJXICSA-N 380.532 3.582 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N2CCCCC2)cc1 72216112 WOAJVYPLBBPYMF-FQEVSTJZSA-N 385.533 3.906 0 40 GHAB CC[C@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(C)cc1C 225850431 HQKMPWKQEPCGHG-VQTJNVASSA-N 388.533 3.503 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cccc(Cl)c1 44949636 YPBIEOXAKFAUJF-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 224547373 RVUAMGWPGOKGQB-QFIPXVFZSA-N 396.531 3.817 0 40 GHAB CCc1ccc(OCCNC(=O)COc2ccc(Br)c(C)c2)cc1 224242302 MHTPXWOSPRNLAC-UHFFFAOYSA-N 392.293 3.894 0 40 GHAB CCOc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1Cl 224366792 PUFDLPJASMYRSC-UHFFFAOYSA-N 388.895 3.501 0 40 GHAB O=C(COc1ccccc1F)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200148 WGPHHWOSMLSOLI-IRXDYDNUSA-N 386.423 3.881 0 40 GHAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 225447484 SLCUZTFRHFRCBS-QFIPXVFZSA-N 396.531 3.614 0 40 GHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccccc1F 224087404 CEWHRQVBHCRMID-OAHLLOKOSA-N 388.458 3.839 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 224386314 UARDJODTJAFHJX-OAQYLSRUSA-N 384.495 3.929 0 40 GHAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1 223428746 LNSGDUMHPMNSJW-UHFFFAOYSA-N 378.208 3.720 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 222518133 KDQWYSDKDATRND-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 225024411 KAEJONWCMWGJQX-DLBZAZTESA-N 383.488 3.925 0 40 GHAB CSc1ccccc1C(=O)NCc1nnc2ccc(-c3cccs3)nn12 225763241 OBEIZMZVCQTYIA-UHFFFAOYSA-N 381.486 3.505 0 40 GHAB COc1cc(C=O)ccc1OCc1nc(-c2ccccc2Br)no1 89262991 BJYRVOVGLSUZET-UHFFFAOYSA-N 389.205 3.899 0 40 GHAB Cc1noc(C)c1-c1cc(C2CCN(C(=O)CCCn3cccn3)CC2)ccn1 257212926 CFLHUDPQHGOXKD-UHFFFAOYSA-N 393.491 3.736 0 40 GHAB COc1c(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)[nH]c2ccccc12 585081766 YHONOWBRSAUSOD-CYBMUJFWSA-N 385.414 3.711 0 40 GHAB COc1ccccc1-c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCCN3C)[nH]n1 257222677 DUGWKWFZTWCPNZ-UNMCSNQZSA-N 382.508 3.564 0 40 GHAB C[C@@]12C[C@H]3CN(C(=O)c4cccc(Cc5cccc(F)c5)n4)[C@@H]1CCCC[C@@H]2N3 257330939 XQRWVZICLMFWOX-KZDDHRSZSA-N 393.506 3.947 0 40 GHAB C=CC(=O)N(CC)CC(=O)N1CCCc2cc(N3CCCC[C@H]3CC)ccc21 1632647386 MTISVBMLYVIOGB-LJQANCHMSA-N 383.536 3.769 0 40 GHAB CN(C(=O)Nc1ccc(Cl)cc1OCc1ccccc1)[C@H]1C[C@@H](C(N)=O)C1 626578010 QLBHEXMESVHGBK-FZNQNYSPSA-N 387.867 3.647 0 40 GHAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc(F)cc2)C1 585260829 BZIIYOSLEVNLJN-QHCPKHFHSA-N 393.462 3.662 0 40 GHAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cccc(C2SCCCS2)c1 47443140 QIGPVFXZCMFMIA-UHFFFAOYSA-N 397.529 3.712 0 40 GHAB O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)C1CCCC1 5375116 LQDYJWGIMIOSRQ-UHFFFAOYSA-N 384.501 3.957 0 40 GHAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)n1 12201100 JPWOFXZNJGUMNN-QRQCRPRQSA-N 390.443 3.806 0 40 GHAB C[C@H](C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1)c1ccccc1 12220856 FPRSODSWOQNQQC-DZGCQCFKSA-N 385.418 3.572 0 40 GHAB Cc1ccc([C@@H](C)C(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)cc1 12407985 ODXXBEQQKJKAHD-OAHLLOKOSA-N 392.459 3.655 0 40 GHAB CC(C)(C)NC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1 14291510 UWRRRDWGRBNZIL-UHFFFAOYSA-N 380.897 3.810 0 40 GHAB Cc1ccc(CN(C)C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)o1 19216410 TZFHRTYJEZPZCY-UHFFFAOYSA-N 397.500 3.820 0 40 GHAB COc1ccc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2)cn1 19286805 ZCLNOKYAEWMEFC-IBGZPJMESA-N 389.459 3.618 0 40 GHAB COc1ccc(CC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2ccncc2)cc1 19290054 OQYNCMNBHOMLCQ-NRFANRHFSA-N 390.487 3.787 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C4CC4)CC3)cc2n1 19452420 DNMACBMTZWOGBB-UHFFFAOYSA-N 380.414 3.988 0 40 GHAB Cc1cc(C)nc(NCCC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)n1 19666374 VYGCWKYHOQBOLP-UHFFFAOYSA-N 395.488 3.593 0 40 GHAB Cc1ccc(-n2cc(CN(C)Cc3ccccc3N3CCOCC3)cn2)cc1 19715469 OGBUOTFNPNFIPW-UHFFFAOYSA-N 376.504 3.649 0 40 GHAB COC(=O)c1ccc(COc2ccccc2[C@@H]2NC(=O)c3ccccc3N2)cc1 28910784 YXFDCOZPDFKODR-NRFANRHFSA-N 388.423 3.906 0 40 GHAB C[C@H](NC(=O)c1cccs1)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 31392831 TUBZUZBRQUJFGN-JSGCOSHPSA-N 385.514 3.840 0 40 GHAB Cc1cc(C)nc(N2CCC[C@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)n1 1614948542 MNCAVFTYFRAMFY-QFIPXVFZSA-N 382.483 3.784 0 40 GHAB CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2F)sc(C(C)=O)c1C 1102469 NMKMICJWUNFHDO-UHFFFAOYSA-N 397.399 3.732 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 2188091 QZTWLVIQIZCBRN-MRXNPFEDSA-N 398.434 3.774 0 40 GHAB Cc1ccc(CN2CCC(Nc3cccc(F)c3)(C(=O)NC3CC3)CC2)s1 2055739114 LPZAMTYADMWOKN-UHFFFAOYSA-N 387.524 3.921 0 40 GHAB COc1ccc(CNC(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)cc1 1775977502 IROILWVSRBGNJZ-LJQANCHMSA-N 382.485 3.957 0 40 GHAB Cn1cc(CC(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)c2ccccc21 206774169 IUARUGSOGFHNCG-QGZVFWFLSA-N 388.471 3.647 0 40 GHAB CCCCc1ccc(N2C(=O)CS[C@@]23C(=O)N(C(C)=O)c2ccccc23)cc1 12410927 PJCRIBJUSQPDDS-QFIPXVFZSA-N 394.496 3.855 0 40 GHAB C[C@@H](NC(=O)c1cn(C)nc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 40146635 MHDQGPITCNLDMJ-MRVPVSSYSA-N 381.276 3.829 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccccc2NC(=O)c2ccncc2)cc1C 40139114 FYTKLKRNAWCNOD-UHFFFAOYSA-N 375.428 3.968 0 40 GHAB O=C(COc1ccccc1)N1CCC(C(=O)N2CCCCc3ccccc32)CC1 40133963 PJLAIPDFXJAXEN-UHFFFAOYSA-N 392.499 3.674 0 40 GHAB CCCCCCn1c(=N)n(C[C@@H](O)COc2ccccc2OC)c2ccccc21 20289496 OZAZFSGPXKTKCK-GOSISDBHSA-N 397.519 3.951 0 40 GHAB COc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CCCCCC1 1335849 WVPAFEGFDRXJFX-OAQYLSRUSA-N 377.492 3.695 0 40 GHAB Cc1nc(N2C[C@H](C)C[C@@H](C)C2)c2nnn(Cc3c(F)cccc3Cl)c2n1 1338259 DYPVIGQOMZLGOM-VXGBXAGGSA-N 388.878 3.853 0 40 GHAB CC(C)N(C(=O)CSc1nnc(NC(=O)c2ccccc2F)s1)C(C)C 1371436 YCLZBWGMHLUNQM-UHFFFAOYSA-N 396.513 3.667 0 40 GHAB CCc1ccc(OCCNC(=O)c2ccccc2I)cc1 3000642 XCBUKWWWZLRKAU-UHFFFAOYSA-N 395.240 3.662 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(N2CCCCC2=O)cc1 32787541 GXDTZNHKJMDFKB-UHFFFAOYSA-N 396.487 3.883 0 40 GHAB COc1ccccc1CNC(=O)CSc1nncc2c1[nH]c1ccc(F)cc12 32752886 VAAOSAYYSXHMMK-UHFFFAOYSA-N 396.447 3.667 0 40 GHAB Cc1cc(-c2cc(C(=O)O[C@@H]3C[C@@H](C)OC3=O)c3cnn(C(C)C)c3n2)c(C)o1 32883693 OQLFPCDMVGDAJK-KZULUSFZSA-N 397.431 3.750 0 40 GHAB O=C(CCC(=O)c1cccs1)NCCOc1cccc(Br)c1 58060972 KMOMDGZVHBBBJP-UHFFFAOYSA-N 382.279 3.669 0 40 GHAB Cc1ccccc1C(=O)N[C@H](C(=O)NCc1cc(-c2ccccc2)no1)C(C)C 32927975 QCKGWJFVVGCYRR-NRFANRHFSA-N 391.471 3.721 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1 8333573 JCOLFDAFWJMDOH-UHFFFAOYSA-N 386.517 3.651 0 40 GHAB COc1cccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 22182824 JYBOFTDBWYQEJD-UHFFFAOYSA-N 393.512 3.777 0 40 GHAB COc1ccc(F)cc1CN1CCN(CC(=O)c2cc(C)n(C3CC3)c2C)CC1 22803763 DILFCSQXJUWZMX-UHFFFAOYSA-N 399.510 3.588 0 40 GHAB Clc1cc(CN2CCN(Cc3ccsc3)CC2)cc2c1OCCCO2 22808427 OSDWKALPHGHZPV-UHFFFAOYSA-N 378.925 3.881 0 40 GHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NC2CCCCC2)cc1 835277 BTYHITIOQSVGFE-UHFFFAOYSA-N 386.517 3.715 0 40 GHAB CCN(CC)CCNC(=O)C[C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 23207968 FHGXFPBVAOBTJU-CQSZACIVSA-N 387.446 3.518 0 40 GHAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2ccccc2c1 23106274 KFHWZSZTJYWKBH-QFIPXVFZSA-N 378.447 3.782 0 40 GHAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1N1CCOCC1 12526584 UIQNZFGNTMSBBP-UHFFFAOYSA-N 398.894 3.859 0 40 GHAB CN(C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2cccs2)cc1 24445208 KIZQZOHMHVZYDD-UHFFFAOYSA-N 386.542 3.955 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCOCC2)o1 24573459 UPVHAOOLRQMLHR-QGZVFWFLSA-N 386.423 3.585 0 40 GHAB C[C@@H]1CCCCN1C(=O)Cn1nc(C(F)(F)F)c(Br)c1C1CC1 27937167 KKVGEOPVNNQCBE-SECBINFHSA-N 394.235 3.943 0 40 GHAB CC1CCN(CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 24834528 ORZYXIDOJYQMCQ-UHFFFAOYSA-N 389.540 3.814 0 40 GHAB CC(C)c1ccccc1N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O 22380167 XURQEYPHADUJTO-UHFFFAOYSA-N 380.897 3.868 0 40 GHAB CCCC(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccccn2)CC1 100152766 ZMCWQVGEBGHCFK-CALCHBBNSA-N 381.524 3.795 0 40 GHAB Cc1nn(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c(=O)c2ccccc12 25286129 UKROIXVYNHJTNU-HSZRJFAPSA-N 397.478 3.805 0 40 GHAB CC(C)Oc1ccc(CNC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc1 44016474 RUETUPRMWLZRBC-UHFFFAOYSA-N 392.463 3.784 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)n1c(C)nc2ccccc21 48044471 CKZFBQHQHDAEIB-UHFFFAOYSA-N 395.278 3.743 0 40 GHAB C[C@H](Cn1cc(Cl)cn1)C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 28229487 ZNJVDLORXXACSI-GFCCVEGCSA-N 378.263 3.710 0 40 GHAB COc1ccc(NC(=O)CSCC(=O)Nc2ccc(SC)cc2)cc1 16833271 FNIYSPXUUUOXMP-UHFFFAOYSA-N 376.503 3.728 0 40 GHAB Cc1nc(C(=O)NCc2ccc(C(F)(F)F)cc2)nn1-c1ccc(F)cc1 12624319 VNECOONIQNAZJC-UHFFFAOYSA-N 378.329 3.664 0 40 GHAB CCC(=O)c1ccc(OCC(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 12619262 XERLHDYZUABOOR-UHFFFAOYSA-N 384.457 3.999 0 40 GHAB O=C(C[S@](=O)Cc1c(Cl)cccc1Cl)N1CCc2sccc2C1 58171748 OCYUTLWSXMYYGY-QHCPKHFHSA-N 388.341 3.889 0 40 GHAB C[C@H](NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1cc2ccccc2o1 10289704 QJIKURYFCMOKQQ-KGLIPLIRSA-N 386.473 3.958 0 40 GHAB Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)nc2n1 3390430 FSOGGTSNFLLVSI-SECBINFHSA-N 397.291 3.562 0 40 GHAB Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)NCc1ccc(F)cc1 3351454 BXDYTINEOUDAHG-UHFFFAOYSA-N 393.842 3.806 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccc(F)cc3nc2C)cc1 10926774 YOHHDEUNHLFKJZ-CYBMUJFWSA-N 382.391 3.875 0 40 GHAB CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 27663972 JFSUGJQUEDGOTI-GUDVDZBRSA-N 393.524 3.580 0 40 GHAB COc1cc2nc(C3CC3)n(CCOc3ccc(C)cc3C)c(=O)c2cc1OC 12817765 ZRWBUFBDHGEOIX-UHFFFAOYSA-N 394.471 3.987 0 40 GHAB CC(=O)c1[nH]c2c(c1C)C(=O)NC(=O)/C2=C/c1ccc(-c2ccccc2F)o1 13004641 HDJZWVAKLADGRU-NTEUORMPSA-N 378.359 3.735 0 40 GHAB CCCNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 113934743 ZZPLBEXQKVOOJC-UHFFFAOYSA-N 394.924 3.678 0 40 GHAB COc1cccc([C@@H]2c3c(n[nH]c3C)C(=O)N2CCc2c[nH]c3ccccc23)c1 13720304 SCZDVXTXFVYNEN-JOCHJYFZSA-N 386.455 3.996 0 40 GHAB Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c(C(N)=O)c1-c1ccccc1 5127425 XHEKOUWCXUFASW-ZIAGYGMSSA-N 386.473 3.652 0 40 GHAB Cc1ccccc1-c1nnn(CC(=O)N(Cc2ccccc2)Cc2ccccc2)n1 5326948 VAJWQYQXNXDEGX-UHFFFAOYSA-N 397.482 3.878 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc3c(cc2O)CCCC3)c1C 65687064 DNVDRRAVNZZUPI-AWEZNQCLSA-N 383.444 3.847 0 40 GHAB CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)N(C)C1=S 4567520 BHECRWBCUNKHIB-PTNGSMBKSA-N 380.498 3.630 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 14251535 URIHQSMOQABZTA-KRWDZBQOSA-N 397.500 3.515 0 40 GHAB CC(C)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 6537820 CUXNOKAHTCPCBU-UHFFFAOYSA-N 381.523 3.659 0 40 GHAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nnc(C2CCCCC2)s1 4731557 GBBVUTAMZSTWDN-UHFFFAOYSA-N 393.534 3.529 0 40 GHAB O=C(CSc1nc2ccccc2[nH]1)NCCOC12CC3CC(CC(C3)C1)C2 4705493 WUOFSMKPJKNOCZ-UHFFFAOYSA-N 385.533 3.757 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(Br)cc1 6778622 MRURMPADARWITB-INIZCTEOSA-N 393.256 3.981 0 40 GHAB O=C(Cn1nc(-c2ccccc2)c2c(c1=O)CCCC2)Nc1cc(F)ccc1F 6767395 FNBJLMNJMAUXBZ-UHFFFAOYSA-N 395.409 3.706 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(Cl)cc1C(F)(F)F 6881176 SYLVNDOLGKAAMT-UHFFFAOYSA-N 381.741 3.707 0 40 GHAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(Cl)cc2)c1C 67322433 NXXQBRPPKABGRX-UHFFFAOYSA-N 397.866 3.693 0 40 GHAB Cc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)c1C 7283238 YLXLJNBRFCHTFM-ABAIWWIYSA-N 392.521 3.565 0 40 GHAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(N2CCCC2)cc1 15806826 CWCZRBRDKDGJFT-UHFFFAOYSA-N 379.489 3.598 0 40 GHAB CC(=O)N[C@@H](CC(=O)N(C)CCOc1ccc(F)cc1)c1ccc(Cl)cc1 16173766 CBWDZQIIANICCN-IBGZPJMESA-N 392.858 3.584 0 40 GHAB Cc1ccc(-c2nnc3sc(-c4ccccc4Br)nn3c2=O)cc1 8991852 SDOGGFSMPGQNHH-UHFFFAOYSA-N 399.273 3.951 0 40 GHAB CCCn1nc(C(=O)Nc2nc3ccc(F)cc3s2)c2ccccc2c1=O 9536472 NSRUJWPZJQDTAS-UHFFFAOYSA-N 382.420 3.808 0 40 GHAB Brc1ccc(C2(c3nnc([C@H]4CCCO4)o3)CCOCC2)cc1 71889914 WGCHCEYGJPWBCA-CQSZACIVSA-N 379.254 3.780 0 40 GHAB CC(C)c1nccn1CC1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 62017624 MDNBWKNIOJBYQW-UHFFFAOYSA-N 395.547 3.994 0 40 GHAB CCCCCNC(=O)C1=C(c2ccccc2)c2ccccc2N(C)S1(=O)=O 20063447 ODGFOALQPFWVGE-UHFFFAOYSA-N 384.501 3.532 0 40 GHAB CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C)cc(OC)c1O 72304790 HVRZBDYZRDENLJ-LJQANCHMSA-N 382.504 3.693 0 40 GHAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@@H]1C[C@H]1c1ccccc1Br 84502220 FVJMHVACXJXKDS-CWRNSKLLSA-N 390.281 3.567 0 40 GHAB C[C@H]1c2cccn2CCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 84718187 QPSRBFUFTFYSLI-NSHDSACASA-N 386.805 3.961 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 409380519 FYRFOMKLYHIEJB-LLVKDONJSA-N 387.288 3.787 0 40 GHAB CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 33534409 VNMRXZNXEDNUMN-MDFGKDKASA-N 390.543 3.540 0 40 GHAB CCc1cc(-c2cc(NC[C@H](c3ccc(C)cc3)N(C)C)nc(C)n2)n(C)n1 72373249 CECXBWDOXQRZQR-OAQYLSRUSA-N 378.524 3.771 0 40 GHAB COc1ccc2[nH]cc(C(=O)CN3CCN(c4cccc(Cl)c4)CC3)c2c1 36006821 FJAGAZYZGZNXTF-UHFFFAOYSA-N 383.879 3.835 0 40 GHAB O=S(=O)(Cc1ccccc1)Nc1cnn(COc2ccc(F)cc2Cl)c1 32610414 CSNISYXMLVIMCC-UHFFFAOYSA-N 395.843 3.654 0 40 GHAB Cc1sc2nc([C@H]3CCCN(C(=O)Cc4ccsc4)C3)[nH]c(=O)c2c1C 72334902 FTXYENUJXYJEAT-AWEZNQCLSA-N 387.530 3.612 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@H]2CCCN(C(=O)C3CCOCC3)C2)n1 72362901 OCEZIFGPOHFFKN-SFHVURJKSA-N 381.476 3.710 0 40 GHAB COc1ccc(N[C@H](C)C(=O)NCCc2ccc(F)cc2)cc1OC(F)F 40049978 STRMWMFZPADUCH-GFCCVEGCSA-N 382.382 3.595 0 40 GHAB CSc1ccc(S(=O)(=O)NCCCc2ccco2)cc1NC(=O)C(C)C 223872366 KMQPONAWHVPRGV-UHFFFAOYSA-N 396.534 3.507 0 40 GHAB O=S(=O)(Cc1ccccc1)N1CCC(Oc2nc3ccccc3s2)CC1 49443693 FUKBRPHXRYJXKN-UHFFFAOYSA-N 388.514 3.670 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)cc1 223506618 FHOVBYMSMKXFFA-LJQANCHMSA-N 396.531 3.880 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cn2ccnc2)cc1 44855715 LIHSTILLYMHUQH-FQEVSTJZSA-N 391.471 3.972 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(OC)cc1C 223139768 UMIZPPZFARSGKH-HNNXBMFYSA-N 390.505 3.641 0 40 GHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccccc1C 224051372 VJFQQAOHSAODMQ-IBGZPJMESA-N 398.572 3.824 0 40 GHAB C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N=c1cc(C2(C)CCCC2)o[nH]1 573351507 OHLQNRNOBALSSQ-AWEZNQCLSA-N 398.511 3.786 0 40 GHAB COc1ccccc1NC(=O)CN1CCC(c2nnc(-c3ccsc3)o2)CC1 96024408 XQPQSVNZNUYKMY-UHFFFAOYSA-N 398.488 3.625 0 40 GHAB C[C@]1(O)CN(C(=O)CCc2ccc(Cl)cc2)CC[C@@H]1Oc1cccc(F)c1 257306810 SWAHNYUDEOAEMR-FPOVZHCZSA-N 391.870 3.843 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(C(=O)c2ccoc2)CC1 43159947 GOZVAAHXNBLFSB-UHFFFAOYSA-N 381.354 3.725 0 40 GHAB Cn1ncc(C2CC2)c1C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 616798564 CXHJGYFZJDQDHA-UHFFFAOYSA-N 392.282 3.764 0 40 GHAB O=C(O)c1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c(OCC(F)F)c1 630255480 JKVZRSNYGPBZNE-OAHLLOKOSA-N 391.370 3.785 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@]1(C)Cc1ccccc1F 648524274 APQXLTZYTAWXLM-OAQYLSRUSA-N 389.492 3.775 0 40 GHAB O=S(=O)(c1ccccc1F)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119150 DOVICYPQULYTSX-LBPRGKRZSA-N 393.465 3.506 0 40 GHAB CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Cl)sc1Cl 97013987 ADOCFVSFGAOLCV-MRVPVSSYSA-N 395.337 3.583 0 40 GHAB O=C(O)c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1 98210730 VHYDUBKCYZPDSV-MRVPVSSYSA-N 383.038 3.951 0 40 GHAB Cc1ccc(-c2nnn(CC(=O)N3CC[C@@H](C)Sc4ccccc43)n2)cc1 5036207 CAERCDXEMDGAQW-OAHLLOKOSA-N 379.489 3.566 0 40 GHAB CC(C)c1ccc(N(C(=O)Cc2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 5080997 VRDJPFQNXBAWLY-HXUWFJFHSA-N 387.476 3.836 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)C1 5304860 VCEJLDMKFWLFLD-HZPDHXFCSA-N 393.462 3.702 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(N2CCCCS2(=O)=O)c1 5439147 QPRTUSCCSUVWBS-UHFFFAOYSA-N 382.844 3.661 0 40 GHAB COC(=O)c1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1 5660513 RZADTIIODCBPKY-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)NCc3ccccc3)C2)on1 12118373 CVKWQELHLCVUKA-QGZVFWFLSA-N 377.448 3.529 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)Cc3ccccc3F)C2)on1 12118504 DBPBWAPUZBQYLJ-KRWDZBQOSA-N 394.450 3.836 0 40 GHAB COc1ccccc1CN(Cc1coc2ccccc2c1=O)C[C@H]1CCCO1 12187576 OMVCFPYWQHIKKK-LJQANCHMSA-N 379.456 3.983 0 40 GHAB COC(=O)c1c(NC(=O)c2cnccn2)sc2c1CC[C@H](c1ccccc1)C2 12980674 MKEUKWYFICRPNY-AWEZNQCLSA-N 393.468 3.850 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCCO3)Nc1ccccc1 14000708 AKVWTLXGDUXADD-UHFFFAOYSA-N 391.349 3.855 0 40 GHAB Cc1cc(C(F)(F)F)nn1CCC(=O)NCc1ccc(CN2CCCC2)cc1 19119295 KECVAVZTBJXFNI-UHFFFAOYSA-N 394.441 3.513 0 40 GHAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3noc4c3CCCC4)CC1)O2 19218262 FQPLDHNADCZMQK-UHFFFAOYSA-N 380.444 3.502 0 40 GHAB COc1cc(CCC(=O)N[C@@H](Cc2ccsc2)c2nc(C)cs2)on1 19240166 WJIOXXRNBGRKGE-AWEZNQCLSA-N 377.491 3.542 0 40 GHAB O=C1NCCN(C(=O)c2ccccc2)C[C@H]1Cc1cccc(-c2ccccc2)c1 19374233 RLNGRMYENUVEAQ-HSZRJFAPSA-N 384.479 3.785 0 40 GHAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C(\Cl)c1ccc(C)c(C)c1 19691793 POBIYNJTBGCDEX-YVLHZVERSA-N 389.879 3.997 0 40 GHAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(O)c1 6325069 BWHHSBKFWHOFDM-RGVLZGJSSA-N 386.249 3.699 0 40 GHAB O=C(CCN1Cc2ccccc2C1=O)N[C@@H](Cc1ccsc1)c1nccs1 19375571 ZHYKKDRURWXPKG-KRWDZBQOSA-N 397.525 3.651 0 40 GHAB CCOC(=O)c1ccccc1NS(=O)(=O)c1c(F)cc(F)c(Cl)c1F 5927400 LVSSEKCASVZJMB-UHFFFAOYSA-N 393.770 3.735 0 40 GHAB CCOc1ncccc1C(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 6882300 VGHCBFYZSMJMCZ-UHFFFAOYSA-N 398.850 3.989 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)CC1=O 7986433 RHPLCBCMZDICIW-OAHLLOKOSA-N 393.468 3.810 0 40 GHAB O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(-n2cnnn2)cc1 14111352 NAFWLTMEUNRPDO-UHFFFAOYSA-N 394.822 3.542 0 40 GHAB Cc1ccc(-c2nc(C(=O)N[C@H](C)c3ccc4c(c3)NC(=O)CO4)cs2)o1 31370841 VLKWPCYYAWGURJ-LLVKDONJSA-N 383.429 3.533 0 40 GHAB O=C1CC2(CCN(CCCc3ccccc3)CC2)Nc2ccccc2CCN1 2037985802 WRAQAWWLLGFFIF-UHFFFAOYSA-N 377.532 3.628 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc2c(=O)n(Cc3ccccc3OC)c(=S)[nH]c2c1 3043676 NLNWFFBIDFUUHZ-CYBMUJFWSA-N 397.500 3.644 0 40 GHAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@@](=O)C3)cc1 4106154 KNOCECRMMBVAOR-MUUNZHRXSA-N 395.484 3.594 0 40 GHAB Cc1cccn2cc(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc12 4248425 YELMSASLBYTVGS-UHFFFAOYSA-N 377.469 3.788 0 40 GHAB CCCCc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2OC)cc1 7459088 DYRUOIFRHLXYAH-UHFFFAOYSA-N 395.434 3.975 0 40 GHAB COc1cc(CSc2nc(CC(=O)NCC(C)C)cs2)cc(OC)c1 8853589 MRKCBJORDBXHNM-UHFFFAOYSA-N 380.535 3.767 0 40 GHAB O=C(NCc1ccccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 10327577 PPYGHZYISJQVNZ-UHFFFAOYSA-N 378.859 3.862 0 40 GHAB Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)Nc1ccccc1F 12230490 WQAYKFIDYUQKQZ-UHFFFAOYSA-N 384.382 3.653 0 40 GHAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)c(F)c3)n2)cc1 12441016 TVDGXSXKTOQCFC-UHFFFAOYSA-N 395.434 3.785 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220723297 BLRXJIKJICQDKZ-MRXNPFEDSA-N 376.460 3.833 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc(Oc2ccc(C)nn2)cc1 44213790 FPCSKVGSPLXKLB-UHFFFAOYSA-N 399.472 3.719 0 40 GHAB O=C(CCc1ccncc1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19294291 GTZNUCRWFDRPOB-XJUOHMSHSA-N 381.495 3.680 0 40 GHAB CC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(C)c(Br)c1 5746816 KPEDKMZBVWMPQM-UHFFFAOYSA-N 375.222 3.537 0 40 GHAB C[C@H](C(=O)Nc1ccc(F)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 22019119 UDHRKQKDBOKZHG-OAHLLOKOSA-N 375.875 3.624 0 40 GHAB COc1ccc(C)cc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1F 40484508 IVMHUALZAFGVNG-IBGZPJMESA-N 393.422 3.662 0 40 GHAB C[C@@H](C(=O)N[C@H](c1cccs1)C1CCCC1)N1C(=O)c2ccccc2C1=O 31805951 LASWBIQDJQYQRS-UGSOOPFHSA-N 382.485 3.780 0 40 GHAB COc1ccc(CCN2CCn3c(nc4cc(NC(=O)C(C)C)ccc43)C2)cc1 20676081 AWVNMJILEGBFSL-UHFFFAOYSA-N 392.503 3.698 0 40 GHAB CCc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)nc(Cl)nc2s1 40702254 FEGPYSYIMDREIG-UHFFFAOYSA-N 382.917 3.964 0 40 GHAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(Cc3ccccc3)o1)C2 32101417 RRYMUTPFZSHUBB-QGZVFWFLSA-N 382.441 3.577 0 40 GHAB CC(C)N1CNC2=N[C@H](c3ccc(Cl)cc3F)n3c(nc4ccccc43)N2C1 20721829 UPSKIXJXZYMXAU-SFHVURJKSA-N 398.873 3.780 0 40 GHAB O=C(Nc1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1)[C@H]1CCCO1 32367396 OLSUCDURYFSYFQ-OAQYLSRUSA-N 378.472 3.824 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(F)cc2)c1 16352119 ZZKHXHCDNKBOGX-FQEVSTJZSA-N 386.467 3.638 0 40 GHAB C[C@H]1C(c2ccccc2)=NO[C@](C)(C(=O)c2ccc(Br)cc2)N1O 7974804 XYYVAPJVQWLUIM-KPZWWZAWSA-N 389.249 3.862 0 40 GHAB Cc1cc(-c2csc(NC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)n2)c(C)s1 29778197 WNBDKQWWLOEZGP-CYBMUJFWSA-N 377.535 3.931 0 40 GHAB COC(=O)c1sc(NC(=O)CSc2nc3ccccc3cc2C)nc1C 902902 QULMVCWXORHMSE-UHFFFAOYSA-N 387.486 3.826 0 40 GHAB CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)C2CC2)cc1 1378515 YLWDWZKMWOYYNF-LJQANCHMSA-N 398.532 3.505 0 40 GHAB COc1cc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC 2636003 CVEQZHWYKGIZCL-UHFFFAOYSA-N 379.478 3.747 0 40 GHAB COc1ccc(-c2nc(Nc3nc(C)cc(C)n3)sc2CCC(=O)O)cc1 3202625 JBCMDBZSQHPRQK-UHFFFAOYSA-N 384.461 3.986 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)c1C 21675686 MUHVBXZMXJVXIA-LRDDRELGSA-N 382.460 3.747 0 40 GHAB CCCCC(=O)NC(=S)Nc1cc(C)c(I)cc1C 6593828 GSGXRSLFBGSVHH-UHFFFAOYSA-N 390.290 3.911 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccc(F)cc3)n2)cc1 7406615 WTDRBLLGWUBQGU-UHFFFAOYSA-N 385.420 3.925 0 40 GHAB COc1ccc([C@H]2N=C(Nc3cccc(C)c3C)Nc3nc(C)cc(=O)n32)cc1 7495773 MUTMVQFQVZPEHR-FQEVSTJZSA-N 389.459 3.618 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(c3cccc(Cl)c3)CC2)c1 16481929 RXDDQMWJAMDNMD-UHFFFAOYSA-N 392.952 3.553 0 40 GHAB CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)N4CCCCCC4)cc3C2=O)cc1 8471706 DLTZVRMJVRWPDZ-UHFFFAOYSA-N 390.439 3.706 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(C)n2C2CCCCC2)cc1 10014849 VLAFRVZCHSJVSM-UHFFFAOYSA-N 387.509 3.781 0 40 GHAB Cc1cccc(-c2nnc3s/c(=C\c4c(Cl)cccc4Cl)c(=O)n23)c1 9189354 DIIUKMDFMUWONB-DHDCSXOGSA-N 388.279 3.981 0 40 GHAB COc1cc(CN(C(=O)c2n[nH]c3ccccc23)C2CC2)ccc1OC(F)F 22877353 SRPFNZSRLYWZEB-UHFFFAOYSA-N 387.386 3.978 0 40 GHAB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CN1CCN(C)CC1 22814967 CSPNRPRMFDQPMJ-UHFFFAOYSA-N 387.742 3.947 0 40 GHAB Cc1ccn2c(NC(=O)CCNC(=O)c3ccco3)c(-c3cccs3)nc2c1 8013774 UZCKVBYEJPJNHV-UHFFFAOYSA-N 394.456 3.723 0 40 GHAB C[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 23039714 WFEWJRNFBOEZJE-QZTJIDSGSA-N 379.504 3.603 0 40 GHAB O=C(NC1CC1)c1ccc(N[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 23055088 JFLKNGQIMATCRO-OAQYLSRUSA-N 377.488 3.745 0 40 GHAB Cc1ccc(NC(=O)c2nnc(COC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)s2)cc1 104864524 BTHJHPKTZUWDRK-KKUMJFAQSA-N 385.489 3.968 0 40 GHAB COc1ccc(CN(Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)c(OC)c1 53536275 PZERTMSSSVQXRM-GOSISDBHSA-N 381.476 3.761 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccccc2OCc2ccncc2)ccc1F 24434850 OJOVBOPCHYPQDH-UHFFFAOYSA-N 380.375 3.839 0 40 GHAB COc1ccc2c(c1)CCN2C(=O)c1cnn(-c2cccc(Br)c2)c1 106637790 SIXOTFZDOCWXIK-UHFFFAOYSA-N 398.260 3.846 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 1421220 YPSPCXMLTNMARK-UHFFFAOYSA-N 394.924 3.558 0 40 GHAB C[C@@H](C(=O)Nc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1)n1cncn1 25294187 QGXHBXPMROSMDO-CVEARBPZSA-N 377.448 3.610 0 40 GHAB Cc1nc(NC(=O)CN2C(=O)c3ccccc3N[C@H]2c2ccccc2)sc1C 61719165 IRSLRBBNGVMIEK-LJQANCHMSA-N 392.484 3.965 0 40 GHAB Cc1cccc(-n2ccnc2S[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)c1 26046539 LSGKFOBXZQSFGE-CQSZACIVSA-N 393.468 3.875 0 40 GHAB O=C(C1CCCC1)N1C[C@@H]2CCC[C@@H](C1)C2n1nc(-c2ccccc2)ccc1=O 100762764 MUOJHTVXQVYHBU-PMACEKPBSA-N 391.515 3.900 0 40 GHAB CCc1ccc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc(=O)c2c1 28288449 LBDFHXWIUDJIFB-KRWDZBQOSA-N 396.512 3.984 0 40 GHAB COc1cc(C(=O)OCc2c(C)noc2C)ccc1OCc1c(C)noc1C 3280110 ILTWIRDRAWKXHV-UHFFFAOYSA-N 386.404 3.841 0 40 GHAB CCOc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 3377083 APHYUAKAQKJVIG-JTQLQIEISA-N 383.231 3.971 0 40 GHAB CCc1ccc2nc(NC(=O)Cn3nc(C)c4ccccc4c3=O)sc2c1 12762167 XBTQUXXSUPQVPS-UHFFFAOYSA-N 378.457 3.516 0 40 GHAB CSc1nc(C)c(CCC(=O)Nc2cc3c(cc2Cl)OCO3)c(C)n1 12805060 IZAWZFDRBQGTGL-UHFFFAOYSA-N 379.869 3.769 0 40 GHAB Cc1cnc(C(=O)OCC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)cn1 3421663 GKAAQQLMSRMWEO-UHFFFAOYSA-N 395.434 3.625 0 40 GHAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1cccs1)N1CCOCC1 23182601 KXFMHIHVGCYSHZ-CXAGYDPISA-N 379.913 3.985 0 40 GHAB Fc1ccccc1-c1nn2c(-c3cncc(Br)c3)nnc2s1 13689170 AXFYDPCRHYPTIB-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB Cc1ccc(NC(=O)COC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)cc1C 6084747 JIODQWZCPPNUCQ-UHFFFAOYSA-N 388.508 3.650 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)c(C)c1 5009858 FEVDONXQJIQKAI-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB CC(C)Cn1c(SCC(=O)N2CCc3ccccc32)nc2ccccc2c1=O 6159747 YBCSXEHIUAPDPY-UHFFFAOYSA-N 393.512 3.734 0 40 GHAB Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccncc2)n1 5324094 NQDPITQHIJYUHY-IBGZPJMESA-N 387.370 3.780 0 40 GHAB CC(C)[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCCCO2 5453065 HFNBCIGPGYEQEP-LEWJYISDSA-N 383.444 3.501 0 40 GHAB COc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1OC(=O)C(C)C 4647037 SBYKURHJYKAEFF-MHWRWJLKSA-N 383.375 3.740 0 40 GHAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2C)cc1 4736075 GLWDGSQBYWFYLD-CYBMUJFWSA-N 396.472 3.639 0 40 GHAB C[C@H](OC(=O)c1ccc(OCc2cscn2)cc1)C(=O)N(C)c1ccccc1 14753417 BMHBUVKPGMONJZ-HNNXBMFYSA-N 396.468 3.930 0 40 GHAB Cn1cnnc1C1CCN(Cc2cccc(OCc3ccccc3F)c2)CC1 91795592 JIFVVMYYENGTJA-UHFFFAOYSA-N 380.467 3.913 0 40 GHAB Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(-n4cncn4)cc3)o2)cc1 6990254 XWIGUBLNCVSCEA-AWEZNQCLSA-N 375.388 3.544 0 40 GHAB CC[C@H](C)n1c(SCC(=O)NC2CCC(C)CC2)nc2cc(C)[nH]c2c1=O 67239297 FRELBIMCXOYTLB-BLZCZZARSA-N 390.553 3.791 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)N2CCc3ccccc32)nc2cc(C)[nH]c2c1=O 67239140 MNNCSTXXOWALKZ-CQSZACIVSA-N 396.516 3.685 0 40 GHAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 7652677 OYOFPDAQSVEEJA-QGZVFWFLSA-N 378.881 3.522 0 40 GHAB COc1ccc(CCc2nnc(NC(=O)[C@H](C)Oc3ccccc3)s2)cc1 9196808 FETAQJMIFWDJAA-AWEZNQCLSA-N 383.473 3.738 0 40 GHAB C[C@H](CCc1ccco1)NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 9256351 FWHSLURAXXBOQM-QGZVFWFLSA-N 392.455 3.939 0 40 GHAB CC[C@@H](C)C(=O)Nc1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 22416154 JWJZDXAWKMAYOF-GFCCVEGCSA-N 380.441 3.620 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)ccc1F 20957060 LPXYQWUMJWMEIV-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB Nn1c(SCc2ccccc2)nnc(Nc2cccc(Cl)c2Cl)c1=O 28535575 AWCFROYXLXTMMD-UHFFFAOYSA-N 394.287 3.695 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccn(Cc4ccccc4F)n3)o2)n1 28238088 RBFWZWRREBGDNV-UHFFFAOYSA-N 393.422 3.777 0 40 GHAB Cc1ncsc1-c1nc(CNc2cc3c(cc2Cl)OCCCO3)no1 95414815 GAMSSCFZPYLQLX-UHFFFAOYSA-N 378.841 3.928 0 40 GHAB C[C@H](C(=O)N1CCN(Cc2cccc(Cl)c2)CC1)n1cnc2ccccc21 89420170 ZMEYDSWHQIWGOG-MRXNPFEDSA-N 382.895 3.595 0 40 GHAB O=C(CCc1ccc2ccccc2c1)NC[C@H]1CN(Cc2ccccc2)CCO1 89834961 ABHVCVWELGSYIC-DEOSSOPVSA-N 388.511 3.790 0 40 GHAB Cc1ccc(CN2CCC(n3cnc4ncc(-c5ccc(F)nc5)nc43)CC2)o1 306129697 IKJLCSPSVITNAT-UHFFFAOYSA-N 392.438 3.766 0 40 GHAB CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(F)c2)sc2c1CCC2 408625249 XAJBWAJLJHAYPT-UHFFFAOYSA-N 392.477 3.679 0 40 GHAB O[C@]1(c2nc(Cc3cccs3)no2)CCc2cc(Br)ccc2C1 1548451660 ZRNOPTZFYKTDAU-QGZVFWFLSA-N 391.290 3.861 0 40 GHAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(C)c1ccccc1 409370460 RFRFLAWLLIAAQU-GPHNJDIKSA-N 399.446 3.868 0 40 GHAB Cc1ccc(C2=NC3(CCN(Cc4ccc(Cl)cc4)CC3)NC2=O)cc1C 35430871 HMJVQGQRBVUANO-UHFFFAOYSA-N 381.907 3.868 0 40 GHAB biogenic COc1ccc(-c2nc(CC(=O)OCC(=O)C(C)(C)C)cs2)cc1OC 39576454 YJJVEXPMKDNCNA-UHFFFAOYSA-N 377.462 3.528 0 40 GHAB O=C(c1ccsc1)N1CC([C@@H]2CN(C(=O)c3ccncc3)c3ccccc32)C1 306135059 OGKINBIZTGLRNR-IBGZPJMESA-N 389.480 3.659 0 40 GHAB COCCn1cc(C(=O)N[C@@H]2CCc3cc(OC)c(OC)cc32)c2ccccc21 524734614 VDJBUDKJZOLKAC-LJQANCHMSA-N 394.471 3.722 0 40 GHAB O=C(Nc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2)c1ccco1 70638464 OHWKVZNLIQPBSQ-UHFFFAOYSA-N 392.440 3.668 0 40 GHAB Cc1ccc(N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 219853187 RDMGFRQVLNCETL-UHFFFAOYSA-N 377.532 3.556 0 40 GHAB O=C(Nc1nnc(CCc2ccccc2)s1)c1ccnc(N2CCCC2)c1 36752407 RFXDHERHZHZCPV-UHFFFAOYSA-N 379.489 3.571 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nccn(-c3cccc(F)c3)c2=O)c1 10272995 PQSJTUNXXPHMAL-UHFFFAOYSA-N 383.448 3.719 0 40 GHAB CC(=O)N1CCC(N2CCC[C@@H](c3cncc(Oc4cccc(C)c4)n3)C2)CC1 72363023 VSCIMMOSBYPWGW-LJQANCHMSA-N 394.519 3.768 0 40 GHAB O=C(CCCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)Nc1nccs1 71285761 YFSOUUWSARLGET-UHFFFAOYSA-N 397.504 3.534 0 40 GHAB CCn1ccnc1CN1CCC[C@H](c2cncc(Oc3ccccc3OC)n2)C1 72363222 GALJSVSJUFAVGG-KRWDZBQOSA-N 393.491 3.874 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)ccc1C 223493769 OKUOAYFWYKOXND-MRXNPFEDSA-N 375.490 3.746 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccnc2)c1C 222774414 OWTNSQSFMMJTMI-VQTJNVASSA-N 377.517 3.877 0 40 GHAB CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224655981 XNKSSYRXJTUIIF-UHFFFAOYSA-N 397.880 3.659 0 40 GHAB Cc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccc(Br)cc1 45891065 FDXLGEHYSNXJPQ-UHFFFAOYSA-N 378.295 3.974 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cc1 48017778 VSODVYCNQIHYCZ-UHFFFAOYSA-N 397.475 3.703 0 40 GHAB CCOc1cccc(NC(=S)NCc2cc(OC)c(OC)c(OC)c2)c1 225573596 DUYPEZVHXRUDHP-UHFFFAOYSA-N 376.478 3.598 0 40 GHAB CC(C)[C@@H](C)NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 225186751 LYVGDHUHZOUGQD-OAHLLOKOSA-N 394.924 3.696 0 40 GHAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1C(=O)N1CCCC1 225855528 KVVKNLNYBYIJNJ-UHFFFAOYSA-N 378.472 3.819 0 40 GHAB COc1ccc(NC(=O)CSc2cc(-c3ccccn3)nc(C)n2)cc1OC 49007105 VVEKYCKLGPEIOG-UHFFFAOYSA-N 396.472 3.595 0 40 GHAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1 222561004 HQDYOABWXYBIRR-UGKGYDQZSA-N 396.531 3.830 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 225379690 QEJWREZIHUVIHT-CQSZACIVSA-N 376.909 3.595 0 40 GHAB O=C(CN1CCC(c2nnc(-c3ccsc3)o2)CC1)OCc1ccccc1 96024436 IZRBPHBEPIQOST-UHFFFAOYSA-N 383.473 3.721 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1ccc(OC)c(OC)c1 96222422 CJJXYRQRVQZXCQ-LJQANCHMSA-N 394.471 3.930 0 40 GHAB biogenic O=C1C[C@H](c2ccco2)c2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1 96115523 HRRFAKFSTOZHRZ-CYBMUJFWSA-N 390.347 3.905 0 40 GHAB biogenic C[C@]1(O)CN(C(=O)c2cc(-c3cccc(F)c3)no2)CC[C@@H]1Oc1ccccc1 257251668 JRQMOPMSLMUAEP-UNMCSNQZSA-N 396.418 3.525 0 40 GHAB O=C(N1CCC[C@H](c2cnccn2)C1)C1(c2ccc(Cl)cc2)CCOCC1 257334515 YGGSLVQAYVDCGO-INIZCTEOSA-N 385.895 3.584 0 40 GHAB Cc1nc(-c2ncc[nH]2)cc(C2CCN(C(=O)c3nccc4ccccc34)CC2)n1 257312103 UMNYQYBAMCXMJS-UHFFFAOYSA-N 398.470 3.743 0 40 GHAB Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 648968134 TURXRRUOTFVTBK-KBPBESRZSA-N 382.895 3.648 0 40 GHAB Cc1cccc(C)c1[C@H]1CCCN1C(=O)NCC1(S(C)(=O)=O)CCCC1 661178346 UYJFECDWCOGAHC-QGZVFWFLSA-N 378.538 3.507 0 40 GHAB CC(=O)c1cccc(CNS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1 1191935147 MEXJODZHONJSJE-UHFFFAOYSA-N 382.485 3.587 0 40 GHAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCC(c2ccsc2)CC1 96120609 RDSDYMGLNCOBMS-UHFFFAOYSA-N 385.457 3.764 0 40 GHAB Cn1ncc(C2CC2)c1CNC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 665950509 PFZJIYZFHMCJAX-UHFFFAOYSA-N 388.378 3.607 0 40 GHAB C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)CNC(=O)c1cc2ccccc2[nH]1 1627228934 NOQHCNBPPWWXTG-HSZRJFAPSA-N 393.462 3.661 0 40 GHAB O=C(NO)[C@@H](c1ccc(-c2ncc(C(F)(F)F)cn2)cc1)c1ccccc1F 211367715 LMGDHGQJJLEAPQ-INIZCTEOSA-N 391.324 3.939 0 40 GHAB O=C(/C=C/c1ccc(Br)o1)OCC(=O)N1CCCc2ccccc21 3245958 ZHPBBHJSWNAKSQ-CSKARUKUSA-N 390.233 3.578 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)Cc1c[nH]c2ccccc12 5399800 XKJQMFWZWPHMBI-LBPRGKRZSA-N 386.835 3.943 0 40 GHAB CCCCCCNC(=O)N[C@@H](CCSC(=O)NCCCCCC)C(=O)O 5418022 GPCVNCYMJWQNPP-HNNXBMFYSA-N 389.562 3.732 0 40 GHAB Cc1ccc(-c2cc(CC3(C(=O)NCc4ccccn4)CCOCC3)on2)cc1 12132285 BSBPHFJDEOWNCL-UHFFFAOYSA-N 391.471 3.701 0 40 GHAB COc1ccccc1[C@@]1(O)CCCN(C(=O)c2c(C)oc3ccc(O)cc23)C1 12325447 YDTYBGDNNZADCJ-JOCHJYFZSA-N 381.428 3.579 0 40 GHAB O=c1c2cccnc2n(-c2ccccc2)c(=O)n1Cc1cccc(C(F)(F)F)c1 12377145 LAZMSFITSNZFLV-UHFFFAOYSA-N 397.356 3.615 0 40 GHAB Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H](COc3ccccc3F)C2)c(C)c1C 19556729 KDMJWJZFLWJHOJ-BEFAXECRSA-N 387.499 3.901 0 40 GHAB COc1ccc(CN2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)C[C@@H]32)cc1OC 19561042 UCJZGNWKAPZNMS-QUCCMNQESA-N 398.478 3.580 0 40 GHAB CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)[nH]n2)c1C 19660961 GGWYSTDTEOQCSL-SFHVURJKSA-N 393.491 3.942 0 40 GHAB COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1cc(C)on1)c1ccccc1 3484779 NDYYENOSANHWLQ-QGOAFFKASA-N 392.411 3.714 0 40 GHAB O=C(c1ccc(-n2ccnc2)c(-n2cccc2)c1)N1CCN(c2ccccc2)CC1 12088120 BJIBQWIHNGGLRK-UHFFFAOYSA-N 397.482 3.625 0 40 GHAB CC1=CC=CC2=NC(=O)C[C@](C)(C(=O)NCC(c3ccccc3)c3ccccc3)N12 12185316 MKEKEFPNZJIBCM-RUZDIDTESA-N 399.494 3.798 0 40 GHAB N[C@@H](C(=O)Nc1cccc(Oc2ccc(Br)cc2)c1)[C@H]1CCCO1 685938866 PTBLQLIJUVBVLS-IAGOWNOFSA-N 391.265 3.686 0 40 GHAB CC(C)CNC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 2661163 ONMBLLDPBUTICT-UHFFFAOYSA-N 398.507 3.997 0 40 GHAB COc1ccc(OC)c(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)c1 1888869627 WTXWBJZUJRHDOJ-UHFFFAOYSA-N 397.397 3.556 0 40 GHAB Cc1cc(C)c2nc(N3CC[C@H](COc4ccc5nccn5n4)C3)sc2c1 2087067293 YUHXRJULXFRGFO-HNNXBMFYSA-N 379.489 3.861 0 40 GHAB COc1ccc(OC)c2sc(NC(=O)COc3ccc(Cl)cc3)nc12 2713925 IRVZNHMAKASVSN-UHFFFAOYSA-N 378.837 3.984 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)c2cc3cccnc3n(CC)c2=O)cc1 5304055 WEAMYCDWKZXPTR-UHFFFAOYSA-N 393.443 3.626 0 40 GHAB COc1cccc2cc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)oc12 8960443 TYHQOJAWHYYRCS-SNVBAGLBSA-N 384.457 3.979 0 40 GHAB CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=S)Nc2ccccc2)CC1 22457019 KRADHUQCGOYLCW-LPHOPBHVSA-N 388.606 3.802 0 40 GHAB COc1ccccc1CCNC(=O)c1ccc(Cn2c(C)nc3ccccc32)o1 35597048 OXSCACGDEXLBIW-UHFFFAOYSA-N 389.455 3.967 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3F)CC2)cc1 219154573 HNBIEOCZSRQOBX-LJQANCHMSA-N 393.505 3.897 0 40 GHAB CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCC(C)C)s3)c2C)cc1 38487653 KUUZKMKJNSZORT-UHFFFAOYSA-N 399.520 3.792 0 40 GHAB O=C(Nc1nccs1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 44226633 GJJMKWFBKHCZMB-UHFFFAOYSA-N 383.395 3.653 0 40 GHAB C[C@H](c1ccccc1Cl)N(C(=O)CCn1nnc2ccccc2c1=O)C1CC1 40070294 JGQZOXGHIDCYDP-CQSZACIVSA-N 396.878 3.587 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCc3c(F)cc(F)cc32)c1 40090397 IWSKVBJJZMBQAE-UHFFFAOYSA-N 385.819 3.615 0 40 GHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(c2ncccn2)CC1 40129790 CXSVVECUNBQPHI-UHFFFAOYSA-N 379.291 3.658 0 40 GHAB Cc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)o1 40119929 AQCLXFSUYUTLJC-OAHLLOKOSA-N 394.393 3.614 0 40 GHAB C[C@H](NC(=O)c1cccs1)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 31392820 TUBZUZBRQUJFGN-GXTWGEPZSA-N 385.514 3.840 0 40 GHAB COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCC[C@H](C)C3)n12 928509 OVZDFSFAQDYGAL-ZDUSSCGKSA-N 384.505 3.550 0 40 GHAB Cc1ccc(C)c(OC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1C 21336800 JPKDDCUWLCNOSJ-DMZKTXOQSA-N 386.492 3.654 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 32722149 OHWUSNVKTSUHGD-VQIMIIECSA-N 398.890 3.832 0 40 GHAB CCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)Cc2ccccc2)cc1 4564987 LWEBEKYLDWIDAZ-LJQANCHMSA-N 376.378 3.787 0 40 GHAB Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)c2ccc(Cl)cc2)CC1=O 7881612 KSPUYVNKAPBCIR-INIZCTEOSA-N 385.847 3.736 0 40 GHAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(F)cc1 7939846 CCIFYDZVFIHEQT-UHFFFAOYSA-N 386.423 3.679 0 40 GHAB CN(C(=O)COC(=O)/C=C/c1cc(Br)ccc1F)C1CCCCC1 7979171 DVRHVAFULUXNJQ-JXMROGBWSA-N 398.272 3.936 0 40 GHAB COc1ccc(CCN(C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1OC 33014935 UTXJDGSIRZYDJO-IFMALSPDSA-N 399.531 3.633 0 40 GHAB Cc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3=O)c2c1 8570167 SADQQPUWKZWRTI-NRFANRHFSA-N 375.472 3.557 0 40 GHAB O=C(CSc1nnc(N2CCCCC2)n1C1CC1)Nc1ccc(Cl)cc1 9053780 OWEUDCBRSYTOSN-UHFFFAOYSA-N 391.928 3.988 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)OCc3ccccn3)cc2)cc1 12467902 GHWWNGXNIRVYFQ-UHFFFAOYSA-N 396.468 3.572 0 40 GHAB O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccc2nsnc2c1 21595455 RUVYYPQYUHDCCR-UHFFFAOYSA-N 397.529 3.808 0 40 GHAB O=C1CCc2cc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)ccc2N1 24753257 QHFRQMBSLFGBPS-UHFFFAOYSA-N 383.791 3.632 0 40 GHAB O=C1COc2cc(C(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)ccc2N1 24840799 PUTQDVLYPXNPIV-HXUWFJFHSA-N 384.435 3.805 0 40 GHAB CCCc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)cc1 1320398 BASNLOYCXOUPHQ-IBGZPJMESA-N 388.261 3.814 0 40 GHAB O=C(c1ccc(CSc2nnc(N3CCCC3)n2C2CC2)cc1)N1CCCC1 25645759 CIRANYAJMGEHJM-UHFFFAOYSA-N 397.548 3.742 0 40 GHAB Cc1cccc(N2CCN(Cc3nc(O)c4ccc(Cl)cc4n3)CC2)c1C 25060939 CBRUCFOQPFIHPG-UHFFFAOYSA-N 382.895 3.928 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(Sc3nncn3C)cc2)c(Cl)c1 12525775 JJRHOPNCNJEBQW-UHFFFAOYSA-N 394.909 3.729 0 40 GHAB Cn1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 107054340 FXYOLELHNLFUJQ-ZDUSSCGKSA-N 386.843 3.535 0 40 GHAB CCOc1ccc2oc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c(C)c2c1 3279921 IQTAYUUSUQTUIH-UHFFFAOYSA-N 397.383 3.664 0 40 GHAB Cc1cc(NC(=O)c2cnc(C)s2)n(-c2cccc(Br)c2)n1 58114653 VEIBXUORESNTKJ-UHFFFAOYSA-N 377.267 3.960 0 40 GHAB C[C@H](NC(=O)c1cccs1)C(=O)N(C)[C@H](c1ccccc1)c1ccccn1 58224997 XTFJHHKKQQIDFD-HNAYVOBHSA-N 379.485 3.509 0 40 GHAB C[C@H](NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1)c1ccc(F)cc1 12600891 KHMFAOUYXQZMSN-ZDUSSCGKSA-N 397.479 3.784 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 20483824 BEHQXIXCIZQDGI-IBGZPJMESA-N 393.487 3.897 0 40 GHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3cccc(F)c3)N2C1=O 2463466 ISCKENMNYZYBPH-GOEBONIOSA-N 376.453 3.816 0 40 GHAB COC(=O)C1(NC(=O)/C=C/c2ccc(Br)s2)CCCCCC1 12739261 ZECONBFEFQLAHE-VQHVLOKHSA-N 386.311 3.906 0 40 GHAB O=C(Nc1c(F)cc(F)cc1Br)[C@H]1CC(c2ccccc2O)=NO1 12846302 ZEWJIHOFKLTJDF-CQSZACIVSA-N 397.175 3.565 0 40 GHAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc(F)cc1 3459059 HABTUFRWAXXYGJ-DHZHZOJOSA-N 380.341 3.955 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1cccc(C(F)(F)F)c1 3415391 TXMOMIXINUHTCS-UHFFFAOYSA-N 393.409 3.831 0 40 GHAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)c(Cl)c1 20481302 JCWKRPZZFMJRFI-UHFFFAOYSA-N 377.824 3.715 0 40 GHAB COc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)c(OC)c1 3521547 IYILMRUEMXQGFO-UHFFFAOYSA-N 391.423 3.780 0 40 GHAB COc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1NC(=O)c1ccccc1 18194876 XHACIKLPOXZIDP-IAGOWNOFSA-N 378.428 3.627 0 40 GHAB COc1ccc2cc(C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)c(C)nc2c1 12995376 NRYIHPBNOWKACP-UHFFFAOYSA-N 391.471 3.846 0 40 GHAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1F 12935491 QLROTVCVZKJNGV-DZGCQCFKSA-N 390.480 3.625 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 12912142 RATVCXNHLXKGFD-SPYBWZPUSA-N 383.492 3.587 0 40 GHAB O=c1[nH]c(CCSc2nnc(-c3cccs3)n2C2CC2)nc2ccccc12 63534255 JMDQXLASQDCFJL-UHFFFAOYSA-N 395.513 3.913 0 40 GHAB COc1c2c(cc3c1[C@H](C[C@@H](OC(C)=O)c1ccccc1)N(C)CC3)OCO2 4029530 HOJWQTIDNXZUOL-ZWKOTPCHSA-N 383.444 3.647 0 40 GHAB biogenic Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1c(F)cccc1F 4089184 ZMQBSFHEVYKYRW-UHFFFAOYSA-N 390.699 3.677 0 40 GHAB COc1ccc(CC(=O)NCCc2ccc(C(F)(F)F)cc2)c(OC)c1OC 14180780 QSJZSZZPILEYAH-UHFFFAOYSA-N 397.393 3.633 0 40 GHAB Cc1cccc(C2=N/C(=C\c3cc4c(cc3Br)OCO4)C(=O)O2)c1 4578034 CXUDEMINJQDBRY-NSIKDUERSA-N 386.201 3.831 0 40 GHAB COc1cc(C(=O)NCC(=O)Nc2cccc(C)c2C)ccc1OCC(C)C 14232565 AKNQFYDPQDZVOM-UHFFFAOYSA-N 384.476 3.715 0 40 GHAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1 5465842 UJUFAZYNMMOBNN-OAHLLOKOSA-N 391.464 3.918 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc2C1)c1ccccc1 6560913 LGFFKTQHKRLZCA-HSZRJFAPSA-N 384.479 3.613 0 40 GHAB COc1ccccc1C1=NO[C@@H](COC(=O)c2ccc(Br)cc2)C1 5526285 JJEZDPCOPZNUOC-CQSZACIVSA-N 390.233 3.808 0 40 GHAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(-c2ccco2)n1C 8940800 ZRCZKSPSJPPYRY-UHFFFAOYSA-N 396.428 3.755 0 40 GHAB Clc1ccc(-n2ncc3c2ncn2c([C@H]4CCCO4)nnc32)cc1Cl 6925883 FDXGDIHGUKZMPD-CYBMUJFWSA-N 375.219 3.622 0 40 GHAB Cn1c(SCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)nnc1C1CC1 7427005 BYKHXGOBIAQZKE-IBGZPJMESA-N 392.528 3.885 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc21 15867550 RMLDFFGGYDCEKC-AWEZNQCLSA-N 385.489 3.515 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(CC)cc3)ccc21 15867564 URZUNDMRGCVDBS-UHFFFAOYSA-N 385.489 3.838 0 40 GHAB Cc1nc(COc2cccc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)c2)cs1 16707608 SUQYXCFCSATOFV-UHFFFAOYSA-N 395.484 3.985 0 40 GHAB C[C@@H]1Oc2c(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cccc2[C@H]1C 8267388 SYLRVFVCXBHGQR-GJZGRUSLSA-N 391.471 3.691 0 40 GHAB O=c1cc(CN2CCc3sccc3[C@H]2c2ccccc2)nc2sccn12 8323791 ZJCOLABKGSAXCJ-LJQANCHMSA-N 379.510 3.965 0 40 GHAB CN(C(=O)c1cccs1)c1ccccc1C(=O)N[C@H]1COc2ccccc21 83869705 CTQGBNDURSSCOB-INIZCTEOSA-N 378.453 3.888 0 40 GHAB Oc1nc(SC[C@@H]2Cc3ccccc3O2)nc2c1cnn2-c1ccccc1 84572775 USWBSTVNQOVPKB-HNNXBMFYSA-N 376.441 3.617 0 40 GHAB Cc1ccc(-c2ccc3c([C@H]4CN(Cc5ccccn5)CCN4C)nnn3c2)cc1 306131369 KCRBATCTEKGJOK-HSZRJFAPSA-N 398.514 3.588 0 40 GHAB CSc1cccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 22389335 XVIQHXJUZAZSGT-UHFFFAOYSA-N 392.546 3.937 0 40 GHAB Cc1cccc(C(=O)N2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 306142838 XMDBZMFWVFQAQQ-FQEVSTJZSA-N 383.455 3.729 0 40 GHAB CN1CCN(C(=O)/C=C/c2ccccc2OC(F)F)c2nc3ccccc3nc21 32900588 MNKUPBYKLWWTIG-ZHACJKMWSA-N 396.397 3.727 0 40 GHAB CC[C@H](C)[C@H](C(=O)N1CCC[C@H]1c1ccc(OC)c2ccccc12)n1cnnn1 1565520533 VFQZORLQSGDKDK-PAXLWEDBSA-N 393.491 3.786 0 40 GHAB CCO[C@@H](CC(=O)Nc1cc(F)c(N2CCOCC2)cc1F)C1=CCCC1 561457719 WWJDMGJXOVEDBB-IBGZPJMESA-N 380.435 3.645 0 40 GHAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)Cc2cccnc2)n1 72357913 CKECOMSGMJENPU-JOCHJYFZSA-N 387.483 3.982 0 40 GHAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cn3ccnc3)cc1)CC(C)(C)O2 44855573 BMZPBEXZDJQNIF-FQEVSTJZSA-N 391.471 3.972 0 40 GHAB COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2Cl)=C(C)Nc2ncnn21 40484540 MLQGNWXDMSBIFV-GOSISDBHSA-N 395.850 3.868 0 40 GHAB COCc1c(Br)cccc1NC(=O)CC1CCC(C(=O)O)CC1 573922558 HOZNDSJCXKVTIC-UHFFFAOYSA-N 384.270 3.815 0 40 GHAB Cc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 222941607 WVFPFGDEYKMSLE-QFIPXVFZSA-N 386.451 3.719 0 40 GHAB Cc1cc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)ccc1F 225610526 ZGYSWDKGSLNYHJ-UHFFFAOYSA-N 395.843 3.658 0 40 GHAB CCc1ccc(O[C@H](CC)C(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1 222901148 NLDMDLXRQVYVKH-LJQANCHMSA-N 395.459 3.781 0 40 GHAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccnc(O[C@H]2CCSC2)c1 225723187 DYKPVDWCNVCBEN-HNNXBMFYSA-N 398.406 3.795 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 225729867 PHDVJYUWFBRXRD-HOTGVXAUSA-N 377.554 3.518 0 40 GHAB O=c1[nH]cccc1[C@@H]1SCC(O)=Nc2c1cnn2Cc1ccccc1Cl 95480320 LEGBOBBNVHRXTH-INIZCTEOSA-N 386.864 3.697 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3cccc4c3ccn4C)n[nH]2)cc1OC 95476251 NSNPZVGBRGVJKP-UHFFFAOYSA-N 376.416 3.838 0 40 GHAB Cc1cnccc1OC1CCN(CC(=O)N(C)Cc2ccc(Cl)cc2)CC1 585084850 XQCJKHAHISZTDF-UHFFFAOYSA-N 387.911 3.545 0 40 GHAB COc1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1CN(C)C 257318670 VOYLCFAHHOTYAH-PEAKKCBMSA-N 388.552 3.918 0 40 GHAB c1cc(Nc2cnccn2)nc([C@@H]2CN(Cc3cccc4ncccc34)CCO2)c1 257208820 BNSCDRSIUGKWPL-NRFANRHFSA-N 398.470 3.737 0 40 GHAB O=C(O)c1ccc(CCC(=O)N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 652122937 RNMYSQXSAVLGAL-ACRUOGEOSA-N 379.456 3.839 0 40 GHAB O=C(NCCOc1ccccc1)NCC1(Sc2ccccc2)CCOCC1 96331397 XOXXKLDXRQIPEB-UHFFFAOYSA-N 386.517 3.706 0 40 GHAB CCOc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1 72393061 UGIGLVWZMDTSGC-LJQANCHMSA-N 390.487 3.610 0 40 GHAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 1268873 KBJCLUXZEPCVLI-GORDUTHDSA-N 378.215 3.824 0 40 GHAB O=c1c(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)coc2ccccc12 12119245 ZXOCRBWBTPEGNQ-INIZCTEOSA-N 376.412 3.538 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCCN(Cc2ccccc2)CC1 12738886 LXXQQWXLPKLTSA-UHFFFAOYSA-N 389.499 3.927 0 40 GHAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1 16322693 BYKIKRHWEVDPTR-UHFFFAOYSA-N 389.883 3.880 0 40 GHAB O=C(Nc1cc(Br)c[nH]c1=O)C(c1ccccc1)c1ccccc1 16477710 OHUGXGDTYXTORU-UHFFFAOYSA-N 383.245 3.908 0 40 GHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCCC2)cc(=O)[nH]1 19240970 IALHGSZJZXGEHZ-LJQANCHMSA-N 378.476 3.540 0 40 GHAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccn2)C1)c1cccs1 19401610 MQAGNCNAZRSNQH-UTKZUKDTSA-N 392.528 3.921 0 40 GHAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)CCOC)CC3)noc2n1 19522049 JUXAFAGAHLFTLB-UHFFFAOYSA-N 385.386 3.547 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2nc3cnccc3s2)CC1 1888914039 KADLMPGHDPEYKU-UHFFFAOYSA-N 391.500 3.626 0 40 GHAB CCc1ccc([C@H](CNC(=O)CCc2nnc(-c3ccccc3)o2)N(C)C)cc1 22684183 MIXLBDRQHYFKED-FQEVSTJZSA-N 392.503 3.651 0 40 GHAB O=C(Nc1ccc(Br)cc1)c1ccc(OC[C@H]2CCCO2)nc1 245015200 LQIVELAVAVYTCJ-OAHLLOKOSA-N 377.238 3.654 0 40 GHAB O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1cccc(F)c1 4164548 IYOMGLFJRXTWEG-UHFFFAOYSA-N 397.410 3.800 0 40 GHAB COc1ccc(NC(=O)CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1 4356590 QSCTWMBKKUZFJA-UHFFFAOYSA-N 395.440 3.612 0 40 GHAB O=C(Nc1ccc(OC(F)F)cc1)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5201346 IIKQAFLXJHREJJ-CYBMUJFWSA-N 395.793 3.868 0 40 GHAB COc1ccccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2ccccc21 7616015 UEXKATPWZWKYKS-UHFFFAOYSA-N 385.423 3.711 0 40 GHAB Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 8840893 VKQYDXFJKDMBLV-UHFFFAOYSA-N 386.517 3.872 0 40 GHAB CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2c(OC)ccc(OC)c21 100908777 ZLKIRGFEELLDCG-MRCUWXFGSA-N 384.457 3.684 0 40 GHAB O=C(CN1CCC(Oc2nccs2)CC1)Nc1cccc(C(F)(F)F)c1 2086881906 AVUJZYKOHZNPHN-UHFFFAOYSA-N 385.411 3.644 0 40 GHAB O=C(COc1ccc(F)cc1)NCc1ccc([C@@H](O)c2ccsc2)s1 207965137 MTLUAPCNNLBKJF-SFHVURJKSA-N 377.462 3.726 0 40 GHAB O=C(CSc1nccnc1N1CCSCC1)Nc1ccc(Cl)cc1F 48987240 OHVGGRMTPYFMAN-UHFFFAOYSA-N 398.916 3.553 0 40 GHAB Cn1cc(-c2ccc(CNC(=O)c3cccc(Oc4ccccn4)c3)cn2)cn1 575617187 TUQDCXXGULHTHT-UHFFFAOYSA-N 385.427 3.599 0 40 GHAB CCOC(=O)[C@H]1CCc2sc(NC(=O)c3ncc(-c4ccccc4)o3)nc21 206586679 RLCXGOWBEAPHTF-LBPRGKRZSA-N 383.429 3.643 0 40 GHAB O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@H](Oc2ncc(F)cn2)C1 390829003 VTOIGSWBUQLWQR-HNNXBMFYSA-N 391.402 3.533 0 40 GHAB COc1cc(OC)c(NC(=O)COc2nc(C)nc3ccccc23)cc1Cl 33287287 LOSMFHCTFHGROT-UHFFFAOYSA-N 387.823 3.626 0 40 GHAB COc1cccc(C(=O)N[C@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)c1OC 77200100 IUXIKRUSWDKIEA-IRXDYDNUSA-N 398.459 3.994 0 40 GHAB c1ccc2[nH]c(-c3nn4c(COc5ccc6c(c5)OCO6)nnc4s3)cc2c1 20733795 HOGLYKUMGDPAED-UHFFFAOYSA-N 391.412 3.642 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)c(Br)c2)NC(=O)N1C 729877 KYPLONYLBWBQFL-AWEZNQCLSA-N 385.233 3.510 0 40 GHAB O=C(COc1ccc(Br)cc1F)NCCc1c[nH]c2ccccc12 2646814 CYRRCCPYBZQLLT-UHFFFAOYSA-N 391.240 3.807 0 40 GHAB O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)N1CCCC1 916476 ALCYXNNURKOIGR-UHFFFAOYSA-N 394.500 3.561 0 40 GHAB O=C(O)C1=C[C@H](c2ccc(Cl)cc2)n2ncc(C(=O)Nc3ccccc3)c2N1 101836329 LVECFUFWEINQAZ-QGZVFWFLSA-N 394.818 3.772 0 40 GHAB CCOC(=O)c1c(C)[nH]c(CN(C)Cc2[nH]c(C)c(C(=O)OCC)c2C)c1C 1679631 ZVHIXVMSRNRJLZ-UHFFFAOYSA-N 389.496 3.562 0 40 GHAB O=C(c1ccco1)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 32721902 XGPDWRRMVXJPEB-UHFFFAOYSA-N 384.819 3.791 0 40 GHAB CCOC(=O)c1c(NC(=O)CN2c3ccccc3C[C@H]2C)sc2c1CCC2 2649383 XGXNGELZHKKMKG-CYBMUJFWSA-N 384.501 3.803 0 40 GHAB CC(=O)c1cccc(N2C(=O)C[C@@H](Nc3cccc(C(F)(F)F)c3)C2=O)c1 102248304 HWHRTDLQWKVVSX-MRXNPFEDSA-N 376.334 3.652 0 40 GHAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N 3282296 YAFNHQKRXRWPJA-UHFFFAOYSA-N 395.532 3.823 0 40 GHAB COCCNC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 4503487 KKWJOTGFSWWYJO-UHFFFAOYSA-N 378.388 3.918 0 40 GHAB Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2)o1 4890017 XGIHKVVUVVZMBB-KRWDZBQOSA-N 398.488 3.742 0 40 GHAB CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 6543886 GVLIAJIRJFXSTI-UHFFFAOYSA-N 386.517 3.597 0 40 GHAB Cc1sc(C(N)=O)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 6679944 CTBVWMCYRWKVSV-UHFFFAOYSA-N 388.470 3.749 0 40 GHAB C[C@@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1cccc2ccccc12 102909250 OYSNCLCQGAKQEO-YSGRDPCXSA-N 378.472 3.582 0 40 GHAB Cc1cnc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4ccccc4C)CC3)o2)cn1 100156158 FBGPWYQIQSCOHV-CALCHBBNSA-N 391.475 3.847 0 40 GHAB COc1ccc(C(=O)NCCCCN2CCC[C@H](C)C2)cc1Br 46991416 NMTSULUIFCFJEF-AWEZNQCLSA-N 383.330 3.700 0 40 GHAB COc1ccc(CC(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)cc1 22462197 JILGOKQBUAQUAX-UHFFFAOYSA-N 386.411 3.988 0 40 GHAB C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc(Cn4ccnc4)c3)n2)C1 47297182 NSBBXGMDGCHGOM-INIZCTEOSA-N 395.532 3.872 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)CCC(=O)N4)c(Cl)cc12 23263683 ILEGVBDRLQOGMH-UHFFFAOYSA-N 397.814 3.901 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1cc(C(C)C)no1 24240792 LHIARYCAOAGMKN-UHFFFAOYSA-N 381.480 3.671 0 40 GHAB COc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2C(C)C)CC1 20452837 BMMKQMAKORXLNZ-GOSISDBHSA-N 382.504 3.935 0 40 GHAB O=C1N=C(O)[C@]2(Cc3cccc(F)c3N3CCCC[C@H]32)C(=O)N1c1ccccc1 25185077 QTDAMFATORMQAT-HTAPYJJXSA-N 393.418 3.850 0 40 GHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 55842427 XRCLVEWSOBDYBU-UHFFFAOYSA-N 398.459 3.706 0 40 GHAB O=C(COCc1ccccc1Cl)Nc1cc(N2CCOC2=O)ccc1F 56211129 QKTMLQQDFLAYJY-UHFFFAOYSA-N 378.787 3.591 0 40 GHAB O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1cc(F)ccc1Cl 57476986 RWVSSFCDDMSTID-UHFFFAOYSA-N 376.727 3.615 0 40 GHAB CCCCn1c(=S)n(CN2CCN(c3cnccn3)CC2)c2ccccc21 26664976 BPSFUVYMCNZNEJ-UHFFFAOYSA-N 382.537 3.542 0 40 GHAB Cn1ccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1ccc(Cl)c(Cl)c1)C2 100149889 NEWARMKUVZKCRX-GJZGRUSLSA-N 380.319 3.847 0 40 GHAB O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccc(OC(F)F)cc1 3294872 LGIDYHRXKNAFNB-UHFFFAOYSA-N 391.157 3.785 0 40 GHAB COc1ccc(/C=C2\NC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc1 3260564 UQBZFNQHDUZFFR-GDNBJRDFSA-N 376.384 3.559 0 40 GHAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNc2cncc(-n3cccn3)n2)C1 57992286 DUBNLWVKSSSOCH-HDICACEKSA-N 376.508 3.752 0 40 GHAB C[C@@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 8310357 LXFQLTIZBZXSHH-YLJYHZDGSA-N 380.488 3.862 0 40 GHAB Cc1cc(CNC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)ccc1F 10552675 IHCDHKXJBOGUOT-UHFFFAOYSA-N 384.838 3.928 0 40 GHAB CCOC(=O)c1sc(NC(=O)CN(C)Cc2cc(C)ccc2OC)cc1C 10131481 XJSKXOGKHNOTOS-UHFFFAOYSA-N 390.505 3.621 0 40 GHAB CCOC(=O)CN(CC(C)C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 58159293 SXYNMMGAPKHGQA-UHFFFAOYSA-N 378.469 3.695 0 40 GHAB C[C@@H](NC(=O)c1cccs1)C(=O)N(C)[C@H](c1ccccc1)c1ccccn1 58224998 XTFJHHKKQQIDFD-DNVCBOLYSA-N 379.485 3.509 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc4cn[nH]c34)C2)c1 44958777 XTDMMTBFFMQXOG-QGZVFWFLSA-N 376.460 3.671 0 40 GHAB CCc1noc([C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 58646752 BUDCUGVOWGWJPH-SECBINFHSA-N 390.793 3.936 0 40 GHAB CSCC[C@@H](NC(=O)c1cc(-c2ccco2)[nH]n1)c1nc2ccccc2[nH]1 28509161 WJPNJRRWJRGLBY-CQSZACIVSA-N 381.461 3.770 0 40 GHAB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCO[C@H](C)C2)cc1 11454824 CUFCEQMJHCRKDW-MRXNPFEDSA-N 379.435 3.848 0 40 GHAB Cc1cc2occ(CC(=O)NCCNC(=O)c3ccccc3)c2cc1C(C)C 12794118 UKQKUSQMVFQZNJ-UHFFFAOYSA-N 378.472 3.953 0 40 GHAB COc1cccc([C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)c2nccn2C)c1 29093574 HONOTYLHFGUJOF-HSZRJFAPSA-N 389.499 3.756 0 40 GHAB Cc1cc(C)cc(-n2ncc3c(=O)n(C[C@@H](O)c4ccc(Cl)cc4)cnc32)c1 12890435 GPFPNVSIKNLEOG-LJQANCHMSA-N 394.862 3.586 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 12894929 ATIGBYGVPOXWNK-HUUCEWRRSA-N 398.956 3.633 0 40 GHAB COC(=O)c1ccc(COC(=O)c2ccccc2NC(=O)Cc2ccccc2)o1 3451240 YNUYHWHDPDNSNK-UHFFFAOYSA-N 393.395 3.604 0 40 GHAB C[C@@](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)(C(=O)O)c1ccccc1 12972012 BVKNNPHVIDDDMS-QHCPKHFHSA-N 394.471 3.730 0 40 GHAB C[C@H](C(=O)Nc1cccc(Cl)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 408553627 ARLYCKFGFWONHN-LLVKDONJSA-N 387.288 3.787 0 40 GHAB COC(CSc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3)OC 5204749 AVUIUMFRNVIPCR-UHFFFAOYSA-N 386.564 3.976 0 40 GHAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 65505065 KBKGZTUPDZCSCQ-UCGRDJOYSA-N 396.453 3.819 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(F)cc2F)cc1 6432766 JFZDVVNEQPXUAO-GOSISDBHSA-N 396.459 3.605 0 40 GHAB O=C(Cn1nnc(-c2ccccc2)n1)NCCC(c1ccccc1)c1ccccc1 4549154 UCUXBIXEJGNBDF-UHFFFAOYSA-N 397.482 3.679 0 40 GHAB C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1Cl 14248229 DOWRTKPHTZMJOZ-LBPRGKRZSA-N 393.270 3.986 0 40 GHAB Cc1noc(C)c1COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 6558092 LNVPZTKKDVQDFC-QGZVFWFLSA-N 378.856 3.833 0 40 GHAB Cc1ccc(-c2c[n+]([O-])c3nc(-c4ccc(Br)cc4)cn3n2)cc1 4629517 GONBAOTUWBVHHS-UHFFFAOYSA-N 381.233 3.768 0 40 GHAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1 5558254 TZJOQAUBHZXCBD-OAHLLOKOSA-N 387.277 3.745 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)cc1OC 5752477 UMXHPLAZDYFZNQ-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB CCCCCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 4979984 JRCXLKVSXRRKFV-UHFFFAOYSA-N 390.505 3.758 0 40 GHAB CCc1ccccc1N1C(=O)N=C(O)[C@@]2(Cc3cc(C)ccc3N(C)C2)C1=O 8974601 XXZBSQNGJLCVFZ-QFIPXVFZSA-N 377.444 3.659 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)Cn3c(=O)oc4cc(Cl)ccc43)c2C)no1 7866783 YSWYPBGMVZQRPW-UHFFFAOYSA-N 385.807 3.835 0 40 GHAB COc1cc(CN2CCC[C@H]([C@H](C)O)C2)cc(Br)c1OC(F)F 96003592 VWSKEIQOCBJHMX-JQWIXIFHSA-N 394.256 3.652 0 40 GHAB Cc1nc2sccn2c1CN(C)CC(=O)Nc1ccccc1Br 79094750 JLWRAXZUQPIWAI-UHFFFAOYSA-N 393.310 3.537 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1 9667711 TYLCYYXXLJDANH-MRXNPFEDSA-N 382.485 3.941 0 40 GHAB COCCn1c(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc2ccccc21 72302732 POWXMJXZOXQJCK-UHFFFAOYSA-N 384.432 3.566 0 40 GHAB O=C(Nc1ccc(OC(F)F)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 84436830 SKERYFDUIYAJEP-LBPRGKRZSA-N 380.416 3.840 0 40 GHAB Cc1c(C(=O)N2C[C@@H](C)OCC2(C)C)cnn1-c1cccc(C(F)(F)F)c1 95459612 LLJWIXZGHFUONG-GFCCVEGCSA-N 381.398 3.839 0 40 GHAB COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@H]2CCC[C@H]2C1 95965049 OEIBZPYPNRCBQS-AOOOYVTPSA-N 394.718 3.532 0 40 GHAB Cn1cc(C(=O)Nc2ccc(Br)cc2F)c(=O)c2cc(F)ccc21 22236303 SFGYWHXXJNYFEK-UHFFFAOYSA-N 393.187 3.832 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Br)c2)c1 409205185 ADLHQJQZZUVPST-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB COc1ccc2[nH]/c(=N/C(=O)c3cn(C(C)C)c(=O)c4ccccc34)sc2c1 71288349 AKYVNHCPVGHIMR-UHFFFAOYSA-N 393.468 3.875 0 40 GHAB COc1cccc(CN2CCC[C@@H]2c2cncc(Nc3nnc(C)s3)n2)c1 72376264 KDPOIENDKCTDPD-QGZVFWFLSA-N 382.493 3.726 0 40 GHAB COc1ccc(OC)c(C(=O)N2CCC[C@@H]2c2nnc(-c3ccsc3)o2)c1 72390161 QSMFXRWBGRFTTE-OAHLLOKOSA-N 385.445 3.793 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)Oc1ccccc1 56945388 ISOWKHORMBGNLE-OAQYLSRUSA-N 391.471 3.932 0 40 GHAB O=C(CSCc1ccc(Br)cc1)NCCOc1ccccc1 30835687 HTDBWDGOIZGFSC-UHFFFAOYSA-N 380.307 3.878 0 40 GHAB O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)NCc1ccco1 33012312 AGTJSYXXBVUGFG-UHFFFAOYSA-N 375.384 3.692 0 40 GHAB Cc1cc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)c(C)s1 72340529 JEQZFBFHNAGGQO-NRFANRHFSA-N 396.560 3.502 0 40 GHAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1 44916547 ZTXYWLBBJPKBSF-UHFFFAOYSA-N 396.531 3.669 0 40 GHAB Cn1c(=O)sc2cc(NC(=O)c3ccc(CN4CCCCC4)cc3)ccc21 225041279 VQUHMSGMBUJIGX-UHFFFAOYSA-N 381.501 3.838 0 40 GHAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(C)c2)cc1Br 223729552 LORPFTZIHJURHA-UHFFFAOYSA-N 384.295 3.587 0 40 GHAB O=C(Cn1ccc2ccccc21)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225728476 SHJYKOUIPABOHS-INIZCTEOSA-N 389.377 3.735 0 40 GHAB CCOC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(SC)cc1 224973636 JGTYSSZQLURMNG-UHFFFAOYSA-N 393.530 3.729 0 40 GHAB CCc1ccc2oc(-c3cc(N4C[C@@H](C(N)=O)CC4=O)ccc3Cl)nc2c1 45887642 PWCGMMMZHHDXKV-LBPRGKRZSA-N 383.835 3.549 0 40 GHAB COc1ccc2cc(S(=O)(=O)NCCOc3ccc(C)c(C)c3)ccc2c1 225179569 ZKSYCWGHDMOTIT-UHFFFAOYSA-N 385.485 3.823 0 40 GHAB CCN1CCN(C(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)CC1 225833308 RUSNXEGPUUWDJK-UHFFFAOYSA-N 390.487 3.500 0 40 GHAB CS(=O)(=O)N[C@@H](CC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1 225950840 PFTCQEUYVNOZGN-HNNXBMFYSA-N 387.288 3.613 0 40 GHAB COC(=O)c1ccc(Cl)c(N(C)S(=O)(=O)c2ccc(SC)cc2)c1 224992081 VJEBGXUGWDSPRC-UHFFFAOYSA-N 385.894 3.674 0 40 GHAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NC[C@H]1CCCN2CCCC[C@H]12 96343560 DTIIDUXSMLUFKY-VQIMIIECSA-N 386.927 3.735 0 40 GHAB CCn1c(CN2CC[C@H](c3ccc(OC)cc3)C2)nc2cc(C(=O)O)ccc21 582612229 RHENPXFOGZATHY-KRWDZBQOSA-N 379.460 3.753 0 40 GHAB Cc1ccccc1CN1CC[C@@]2(COCc3c(C)nc(NCC4CC4)nc32)C1 96244515 JKQIGUSFTJLNBT-QHCPKHFHSA-N 378.520 3.589 0 40 GHAB Cc1cccc(CN2CC[C@@]3(COCc4cnc(NCc5ccco5)nc43)C2)c1 96244221 CCIMVUOBAWXKFC-QHCPKHFHSA-N 390.487 3.664 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)NCc1ccc([C@H](O)c2cccs2)s1 90613669 USCAYAIOMQJKGM-NCUBBLFSSA-N 391.539 3.982 0 40 GHAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cc(Cl)c(Cl)cc2F)C1 626553699 YNZCHMRHRCRWSH-FUEDEBDSSA-N 390.286 3.896 0 40 GHAB COCc1ccnc(NC(=O)N2CC(Cc3ccccc3Br)C2)c1 626600261 JVRHMOKFXYZDSF-UHFFFAOYSA-N 390.281 3.697 0 40 GHAB CC1(C)CN(C(=O)c2ccc(-c3ccccn3)nc2)CCN1Cc1ccccc1 651265192 IVCBYFWYANTIFR-UHFFFAOYSA-N 386.499 3.880 0 40 GHAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)C1CN(c2cc(-c3ccccc3)ncn2)C1 390828748 TZLOJIPDFZXHQA-UHFFFAOYSA-N 396.454 3.609 0 40 GHAB Cc1c(Cl)cccc1C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585112744 UWMXUKZMNJMPRV-FQEVSTJZSA-N 395.890 3.937 0 40 GHAB COc1ccc(CNC(=O)NC[C@H](c2ccsc2)n2nc(C)cc2C)cc1 824671186 OXTQNYVDSJSVHC-LJQANCHMSA-N 384.505 3.659 0 40 GHAB COc1cc(OC)c(CNc2nc3cc(C)nn3c3ccccc23)c(OC)c1 52433993 BHUMKCXKOYYNBG-UHFFFAOYSA-N 378.432 3.829 0 40 GHAB O=C(Nc1cc(Cl)ccc1O)C1CCN(c2cnc3ccccc3n2)CC1 52427755 YTULCXFQGSGUII-UHFFFAOYSA-N 382.851 3.844 0 40 GHAB O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1ccc(N2CCCC2)cc1 11886112 HRXAXXPKXHPAML-UHFFFAOYSA-N 385.537 3.868 0 40 GHAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)[C@@H](C)c3ccccc3)C2)on1 12118422 TVIDWDJYRHWQHB-FUHWJXTLSA-N 376.460 3.950 0 40 GHAB CC(=O)Oc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)cc1 13994453 QHKSVXZNRMXWKT-HXUWFJFHSA-N 383.444 3.522 0 40 GHAB COc1ccccc1CC(=O)N1CCC[C@@H]1c1ccnc2cc(C(C)(C)C)nn12 19084326 FIZYMRUQPCHNNH-QGZVFWFLSA-N 392.503 3.942 0 40 GHAB Cn1cc(-c2csc(NC(=O)c3cc(-n4cccn4)ccc3Cl)n2)cn1 19715189 VRANSVBQGCAJBM-UHFFFAOYSA-N 384.852 3.635 0 40 GHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)cc1OC)C3 19816973 WJYHTLGDBAJEKJ-GFCCVEGCSA-N 398.488 3.556 0 40 GHAB C[C@@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)OCC(N)=O)c2C1 4340758 WRERGYHCBIBLOB-OVGFGYAMSA-N 386.451 4.000 0 40 GHAB O=C1CCCN1CCNCc1cc(-c2cccc(F)c2)cnc1-c1ccncc1 12337346 OFZMOZJXPUNNFD-UHFFFAOYSA-N 390.462 3.662 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2cc(C3CCC3)ncn2)CC1 1888897823 DTCPHWQCAXPGOK-UHFFFAOYSA-N 389.503 3.679 0 40 GHAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccccc4Cl)CC3)n2)cc1 23865753 FHUFAZIEMFKUFS-UHFFFAOYSA-N 396.878 3.656 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2-n2cccc2)c1 5242297 JQHAFVDSXHOVSW-UHFFFAOYSA-N 379.445 3.690 0 40 GHAB Cc1cccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1 8592334 HUUMGBZXHVCXLQ-UHFFFAOYSA-N 379.485 3.708 0 40 GHAB Cc1cnc2c(c1SCc1ccc(Cl)c(Cl)c1)c(=O)n(C)c(=O)n2C 10216548 ZAGWODSSCUQVOE-UHFFFAOYSA-N 396.299 3.540 0 40 GHAB O=C(C1CCCCC1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 22998299 DYHPCYPZBASXIE-UHFFFAOYSA-N 391.512 3.681 0 40 GHAB COc1cc(C(=O)/N=c2\sc3c(C)ccc(C)c3n2C)cc(OC)c1OC 100908709 OQBOIHOBHWHCEK-MRCUWXFGSA-N 386.473 3.624 0 40 GHAB COc1cccc2cc(C(=O)N3CCC[C@@H](Oc4ncc(Cl)cn4)C3)oc12 575611953 HIZAIAJXNIMCPD-CQSZACIVSA-N 387.823 3.568 0 40 GHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccc(F)c(Cl)c1 585148300 XJRSZKYLNDHMRD-QGZVFWFLSA-N 395.839 3.751 0 40 GHAB O=C(NCCOc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)Nc1ccccc1 20436557 YOEMSLPXRQSJNF-SFHVURJKSA-N 387.867 3.532 0 40 GHAB CN(C(=O)CN1CCO[C@H](c2ccc(F)cc2)C1)[C@@H]1CCCc2ccccc21 40060996 RCIWSKURDWTLDH-YADHBBJMSA-N 382.479 3.735 0 40 GHAB O=C(c1c(F)cccc1Cl)N1CCC[C@H](c2nnc3n2CCCCC3)C1 40059592 BJMVAGKYQKFIDS-ZDUSSCGKSA-N 376.863 3.817 0 40 GHAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)Cc1ccc(N2CCCC2=O)cc1 40150196 UGLVCJKDAUFKKX-LJQANCHMSA-N 394.519 3.501 0 40 GHAB O=S(=O)(c1ccc(CN2CCC[C@H]2c2cccc(F)c2)o1)N1CCCC1 40153839 RCHSYGYSIBFMNG-SFHVURJKSA-N 378.469 3.540 0 40 GHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc4c(c3)OCCCO4)c12 30679129 WUGHSRYUCWOIIP-UHFFFAOYSA-N 380.448 3.814 0 40 GHAB O=C(O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1F 40267581 UMQWGLAXMOIUQS-GOSISDBHSA-N 398.369 3.566 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1ccncc1 17585853 SBXLIRMOCIFWHQ-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)N4CCCC[C@@H]4C)ncnc32)cc1C 1346406 HDYJBAWOPWVCJF-INIZCTEOSA-N 395.532 3.925 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C[C@@H]1CCCO1)Nc1ccc(Cl)cc1 1364633 GZWOACYVJIREAZ-HNNXBMFYSA-N 392.912 3.719 0 40 GHAB COC(=O)c1c(N)n(-c2cccc(Br)c2)c2nc3ccccc3nc12 3281626 MVBAHSJZMYWMDV-UHFFFAOYSA-N 397.232 3.705 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 7055243 MASDLQXTOOQLMP-UHFFFAOYSA-N 375.475 3.672 0 40 GHAB COC(=O)c1c(NC(=S)NC(=O)c2ccccc2C)sc2c1CCCC2 2774575 YINVLOBDXRFBGL-UHFFFAOYSA-N 388.514 3.849 0 40 GHAB CC(=O)Nc1cccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)[nH]2)c1 7604811 PEHJEEODORRNOI-UHFFFAOYSA-N 392.444 3.772 0 40 GHAB Cc1ccccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)CC1=O 7881479 KDMANUJJMANUCI-GOEBONIOSA-N 385.847 3.816 0 40 GHAB O=C(O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 7881999 QTDFELTUUSBFLH-LLVKDONJSA-N 393.226 3.683 0 40 GHAB Cc1ccc(Cc2sc(NC(=O)CSc3cccc[n+]3[O-])nc2C)cc1 53356741 VEVCESMURWKMGH-UHFFFAOYSA-N 385.514 3.715 0 40 GHAB COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1 783411 BHCVPTKNIYLGBB-UHFFFAOYSA-N 397.500 3.792 0 40 GHAB Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)CC2)cc1 102081761 YNAYHSXPRXUTNL-OSIUHVRWSA-N 380.488 3.523 0 40 GHAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCCCn1ccc2ccccc21 12537026 IZLPRTZWHCJMKU-HSZRJFAPSA-N 391.515 3.531 0 40 GHAB O=C(COc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccccc1 102083538 OVVNDCMXEBIVJG-ZNUTWUMQSA-N 399.446 3.506 0 40 GHAB COC(=O)C12C[C@@H]3C[C@H](CC(NC(=O)c4cc(-c5ccccc5)on4)(C3)C1)C2 101415518 SVQYJHFXZNKJAA-RNXMBNEDSA-N 380.444 3.583 0 40 GHAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cccnc1-n1cncn1 24935927 NNJZXZNROBOMHQ-UHFFFAOYSA-N 396.863 3.615 0 40 GHAB CC(C)(C)c1ccc(OCCOC(=O)CCn2cnc3ccccc3c2=O)cc1 26126541 VCHAKNPYBFFNBN-UHFFFAOYSA-N 394.471 3.706 0 40 GHAB O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)C(F)(F)F 57270637 NPADZCNGPPCUHF-UHFFFAOYSA-N 381.373 3.649 0 40 GHAB CN(CCn1nc2ccccn2c1=O)Cc1ccc(-c2ccc(Cl)cc2)o1 26905221 DJCYTLFIUGTQCX-UHFFFAOYSA-N 382.851 3.541 0 40 GHAB CCOc1ccccc1CNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 22529964 SORPVTYWCTYHJN-UHFFFAOYSA-N 390.288 3.879 0 40 GHAB COc1cccc(C2=N/C(=C/c3ccc(OC(F)F)c(OC)c3)C(=O)O2)c1 3373174 MPNMKDGMALXBOS-RIYZIHGNSA-N 375.327 3.650 0 40 GHAB COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1 48331767 AIHKMNVAGQGTCT-UHFFFAOYSA-N 377.462 3.553 0 40 GHAB Cc1cccc(NC(=O)CSCC(=O)NCc2ccc(OC(F)F)cc2)c1 11508950 JTVLUINUGSPNMO-UHFFFAOYSA-N 394.443 3.585 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1(c2ccccc2)CCCC1 2512622 YJQPAVYBCVLREH-UHFFFAOYSA-N 383.444 3.941 0 40 GHAB O=C(Cc1noc2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12898635 YEDFTNQKRVCEEV-SFHVURJKSA-N 378.428 3.895 0 40 GHAB CC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)s1 12999379 AFPNZVQXADKEJN-ZDUSSCGKSA-N 387.457 3.973 0 40 GHAB CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1OC 8780447 QNOHFYGSZJEDLE-QVKFZJNVSA-N 382.460 3.839 0 40 GHAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C)CC1 9320566 MQKZMJJPSSJEHT-UHFFFAOYSA-N 393.530 3.931 0 40 GHAB Nn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1cccs1 8748641 GEBORIJQMXGBDI-UHFFFAOYSA-N 390.881 3.716 0 40 GHAB CCOc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(C)=O)c(=O)[nH]c2c1 4033959 VAUNDSAONDNYBX-OAQYLSRUSA-N 375.428 3.624 0 40 GHAB CCCOC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 18274322 VXTHZIHWTQQDDZ-UHFFFAOYSA-N 379.865 3.658 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cc4ccccc4[nH]3)c2C)no1 5037223 DQECWRPMJFQDMK-UHFFFAOYSA-N 377.400 3.912 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 5126915 UTQPFUJRWKJJEN-UHFFFAOYSA-N 387.476 3.751 0 40 GHAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC(=O)O)cc1 8867826 BGXSICORJDETLJ-IBGZPJMESA-N 377.396 3.511 0 40 GHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 29740114 ATTWHXKLMBKDEN-UHFFFAOYSA-N 387.423 3.679 0 40 GHAB Cc1nnc(SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)n1-c1ccccc1 6309534 HDTHFMHEZHSAFP-UHFFFAOYSA-N 395.513 3.655 0 40 GHAB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)Nc1ccc(F)cc1 408659812 POCUPYYIBQVUJS-LVNJIZSUSA-N 395.430 3.853 0 40 GHAB CCS(=O)(=O)c1ccc2oc(S[C@@H](C)C(=O)N3CCCCCC3)nc2c1 9448251 WMXGVUOCEWJRGW-ZDUSSCGKSA-N 396.534 3.505 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C 4778478 OIXIWDZSEKCHAH-NSKBAKJYSA-N 393.616 3.724 0 40 GHAB Cn1nc(C(=O)Nc2ccc(Br)cn2)c(Cl)c1C(F)(F)F 6790293 MRFNRZXDYATCSY-UHFFFAOYSA-N 383.555 3.502 0 40 GHAB CCOc1cccc(C(=O)/N=c2\[nH]c3ccccc3n2CCN2CCCCC2)c1 28305482 PQZSKDFEVPTEEO-UHFFFAOYSA-N 392.503 3.595 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccccc1F)S2 6811852 OEPQNAWCUVVNEX-QZTJIDSGSA-N 397.479 3.686 0 40 GHAB C[C@H](Nc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1Cl 5827625 NJDAMNYRXDVREQ-ZDUSSCGKSA-N 377.847 3.755 0 40 GHAB COc1cc(COC(=O)/C=C/c2ccc3c(c2)OCCO3)ccc1OC(F)F 7393786 SOWFCVRROBVLIQ-QPJJXVBHSA-N 392.354 3.824 0 40 GHAB COc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCN(C(C)C)C4)cc1 19596622 UPMSRTAMWBPUGH-UHFFFAOYSA-N 387.530 3.885 0 40 GHAB C[C@@H](c1ccccc1)N(C)C(=O)CSc1nnc(-c2ccncc2)n1C1CC1 7617128 ZVUUBMVIRXLJEE-HNNXBMFYSA-N 393.516 3.987 0 40 GHAB Cc1nc(COc2ccc(CNCCCN3CCCCCC3=O)cc2)cs1 7736197 NDBLKEPFJLDQSM-UHFFFAOYSA-N 387.549 3.913 0 40 GHAB CCN(CC)C(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 9226981 JPQVGDRXWWFPSX-QFIPXVFZSA-N 375.472 3.972 0 40 GHAB C[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-n2ccnc2)cc1 8012691 MSSLBDVYBPIQMK-HTAPYJJXSA-N 391.471 3.921 0 40 GHAB O=C(Cc1ccc(F)c(Br)c1)Nc1cc2c(cc1F)NC(=O)CC2 97165451 OQSPSUUHPWHSKX-UHFFFAOYSA-N 395.203 3.793 0 40 GHAB O=C(O)/C(=C/c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)s1 96792191 KUBVSZWMHTUISS-SDNWHVSQSA-N 397.905 3.811 0 40 GHAB Cc1ccc([C@H](NC(=O)c2ccccc2NS(C)(=O)=O)c2ccccc2)cc1 20104538 DQLXIQJFCIQUKT-OAQYLSRUSA-N 394.496 3.886 0 40 GHAB Cc1ccc(NC(=O)c2ccccc2SCC(=O)NCc2ccco2)c(O)c1 9749620 WSPWASPLLMPUSY-UHFFFAOYSA-N 396.468 3.954 0 40 GHAB NC(=O)NC1CCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c23)CC1 72312252 LCJNEAMCXLVFHU-UHFFFAOYSA-N 393.516 3.873 0 40 GHAB O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(COc2ccccc2)o1 95459032 SDDVFARABLEFEE-UHFFFAOYSA-N 391.471 3.900 0 40 GHAB CC[C@H](NC(=O)Nc1cccc(NC(=O)C(C)C)c1)c1nnc2n1CCCCC2 79019545 PIFAXOUWFPSGHN-KRWDZBQOSA-N 398.511 3.872 0 40 GHAB CCc1cnc(NC(=O)[C@H]2CCC[C@H]2C(=O)Nc2ncc(CC)s2)s1 89289670 NIGWAYJAZYQJMI-BETUJISGSA-N 378.523 3.718 0 40 GHAB Cc1cccc(C)c1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccs1 22732450 PXYHSHHASZNLIZ-MRXNPFEDSA-N 392.546 3.937 0 40 GHAB CCc1noc(-c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 21792200 QAWCQOIUJOKWKT-HNNXBMFYSA-N 390.443 3.599 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)NCC(C)C 408586964 AKBHDGBRWFMIRM-UHFFFAOYSA-N 398.887 3.974 0 40 GHAB Fc1cc(N2CCOCC2)c(F)cc1NCc1nccn1Cc1ccccc1 506222472 ZCDJIHCZOYONBO-UHFFFAOYSA-N 384.430 3.658 0 40 GHAB NC(=O)c1cn(CC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c2ccccc12 516695090 UROGDMHALLIPBA-YLJYHZDGSA-N 375.472 3.583 0 40 GHAB O=C(O)[C@@H](c1cccc(Cl)c1Cl)N1CCC(CN2CCCCC2=O)CC1 518199642 AXVJQJDSXQIVHW-GOSISDBHSA-N 399.318 3.844 0 40 GHAB Cn1nc(C2CCOCC2)cc1C(=O)N1CCCSC[C@H]1c1ccccc1 1521715391 LHQWKKMBOAHVEB-FQEVSTJZSA-N 385.533 3.635 0 40 GHAB O=C(Cn1nnc2ccccc21)N1CCc2sccc2[C@@H]1c1cccs1 39536383 YYBBVPRDOZKORA-LJQANCHMSA-N 380.498 3.729 0 40 GHAB O=C(NC[C@@H](O)c1ccccc1)c1cc2occc2n1Cc1ccccc1F 36360005 BBAMODHPQQGEOB-HXUWFJFHSA-N 378.403 3.885 0 40 GHAB CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O 13527994 OYZRSSFZJCMFLQ-NFBKMPQASA-N 387.483 3.653 0 40 GHAB biogenic CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cc(OC)cc(OC)c1 41077011 CNFPCBUHEDQNFC-UHFFFAOYSA-N 381.432 3.599 0 40 GHAB CN1CCC(C(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)CC1 72350375 UPVNLASLZHYCFK-LJQANCHMSA-N 381.495 3.936 0 40 GHAB Cc1cc(NC(=O)CN(C)C(=O)CCCc2ccc(Cl)c(Cl)c2)no1 48282356 WSLFFHPJAMXOHJ-UHFFFAOYSA-N 384.263 3.710 0 40 GHAB Cc1cccc(OCCNC(=O)COc2ccc(Br)cc2Cl)c1 224262563 YQTOFFFKZXMKGR-UHFFFAOYSA-N 398.684 3.985 0 40 GHAB O=C(CSc1nccc(N2CCCC2)n1)Nc1ccccc1Br 49399606 XFJDMSWMZVAEJR-UHFFFAOYSA-N 393.310 3.570 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1Cl 225238147 XRZRFSOHQHCUQQ-UHFFFAOYSA-N 395.893 3.976 0 40 GHAB CC[C@@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccc(S(C)(=O)=O)cc1 225092247 IHUCWFYOIZVKSR-LJQANCHMSA-N 389.517 3.607 0 40 GHAB COc1cccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 223025622 RIGOVVFBSRRVIW-QGZVFWFLSA-N 382.504 3.570 0 40 GHAB Cc1cc(C)n(-c2ccc(CCC(=O)N3CCn4c3nc3ccccc34)cc2)n1 225604770 WPLJCVXQIHIKBF-UHFFFAOYSA-N 385.471 3.818 0 40 GHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224002089 OLUCRZUEWRNMQX-UHFFFAOYSA-N 394.496 3.977 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Br)c(C)c3)nn2)n1 77197149 ZLHZCZLVHSVSRT-UHFFFAOYSA-N 386.253 3.602 0 40 GHAB CCOc1cc(C(=O)NC[C@](C)(O)c2cccs2)cc(OCC)c1OCC 77184974 VCGDQEAGPOYFKQ-FQEVSTJZSA-N 393.505 3.582 0 40 GHAB COc1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 223272159 XQOFQLRQQSGAGC-STZFKDTASA-N 390.439 3.684 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 223622537 JDQOQWQJTYOMNK-LJQANCHMSA-N 382.504 3.544 0 40 GHAB COc1cccc2[nH]cc([C@H](CC(=O)NCc3nc(C)no3)c3ccsc3)c12 95473906 NAIPVMBUARUMIE-CQSZACIVSA-N 396.472 3.768 0 40 GHAB Cc1nc([C@@H]2CCN(C(=O)Nc3ccnc(Oc4ccccc4Cl)c3)C2)n[nH]1 579210631 GFNKIZULPPQPIA-CYBMUJFWSA-N 398.854 3.975 0 40 GHAB COCCn1c(C(=O)NCc2nc3ccccc3[nH]2)cc2cc(Cl)ccc21 96116879 VEAIAWNPDQJAQQ-UHFFFAOYSA-N 382.851 3.747 0 40 GHAB Cc1ccc(C(C)(C)CN(C)C(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)cc1 583795859 AZRPEWURVWMAAP-RTBURBONSA-N 384.524 3.568 0 40 GHAB Cc1noc(C)c1-c1cc(CC2CCN(C(=O)c3ccc(F)cc3)CC2)ncn1 257328213 XERSJZUXUNSNKA-UHFFFAOYSA-N 394.450 3.982 0 40 GHAB Cc1nn(C)cc1CN1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 257288385 PTZWQWYIKKIXOE-JOCHJYFZSA-N 396.922 3.941 0 40 GHAB CN1CCN(C(=O)C2CCCCC2)[C@H](Cc2ccccc2-c2cccnc2)C1=O 257269609 MQRDKXMWIFIXNC-JOCHJYFZSA-N 391.515 3.541 0 40 GHAB COC(=O)[C@@H]1CN(Cc2nnc(-c3cccc(Cl)c3)o2)Cc2ccccc21 599671641 ZYTJRXZRVOBGRS-QGZVFWFLSA-N 383.835 3.662 0 40 GHAB CC(C)OCc1ccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 49134092 RCXKBIJXCSGRGD-UHFFFAOYSA-N 380.488 3.597 0 40 GHAB COc1cc(C)ccc1CN1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615127400 GIZHQGJGJFNHGK-HSZRJFAPSA-N 398.478 3.541 0 40 GHAB COc1ccccc1-c1cc(NC(=O)c2cccc(Nc3cnccn3)c2)n[nH]1 1637011710 XBNWJGAVYKXUCT-UHFFFAOYSA-N 386.415 3.871 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1c(=O)[nH]c2ccccc2c1=O 11867243 SRYUHCCLNLLHSX-HNNXBMFYSA-N 392.242 3.586 0 40 GHAB COc1ccccc1-n1cccc1CN(Cc1ccc2c(c1)OCO2)C[C@H](C)O 12118144 HMULMWFPIVUHFO-KRWDZBQOSA-N 394.471 3.598 0 40 GHAB O=C(CCNC(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12582748 NKLRNPXQKCEUAC-UHFFFAOYSA-N 384.439 3.989 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1 12764394 RTNZYPKWKAHTPM-UHFFFAOYSA-N 390.480 3.573 0 40 GHAB O=C(c1ccco1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 12974398 HRKNKFOUCLRYMZ-UHFFFAOYSA-N 390.468 3.914 0 40 GHAB CC(C)(C)OC(=O)NCc1ccc(C(=N)NC(=O)OCc2ccccc2)cc1 14000604 OZNDDRXXDJXMPL-UHFFFAOYSA-N 383.448 3.963 0 40 GHAB Cc1cccc(-n2ccnc2SCc2nc(N)nc(Nc3ccccc3)n2)c1 16126624 UODIQGFIHWHKIM-UHFFFAOYSA-N 389.488 3.984 0 40 GHAB Cc1cnc2[nH]c(C3CC3)c(CN3CCN(C(=O)c4cccc(F)c4)CC3)c2c1 19124952 JHPZINPMSVGDLY-UHFFFAOYSA-N 392.478 3.846 0 40 GHAB CNc1cc(CN(C)Cc2cccc3ncccc23)nc([C@H]2CCCCN2)n1 19709942 KFNKINDUYUYQBE-HXUWFJFHSA-N 376.508 3.513 0 40 GHAB CC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)C/C=C\CCC(=O)OC 207090842 WUKVAFWBFGABJN-ZXQGQRHTSA-N 390.520 3.550 0 40 GHAB in-vitro CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1 786851 DIUSYPYHAUQVOS-UHFFFAOYSA-N 397.504 3.650 0 40 GHAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)CCc1ccc(S(C)(=O)=O)cc1 390831055 PIBDDAKXRYDUFH-KRWDZBQOSA-N 397.606 3.936 0 40 GHAB Cn1cc(-c2cnc(OC3CCN(c4nccc5sccc45)CC3)nc2)cn1 1889218186 DNJBYSRWNVDCOE-UHFFFAOYSA-N 392.488 3.535 0 40 GHAB O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccsc2)cc1 238884890 PVVVDJOJIXXGLF-DFNIBXOVSA-N 394.496 3.700 0 40 GHAB COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H](C)Nc2ncnn21 247976117 VFSIWQINXIDRHZ-UYHISHBKSA-N 397.866 3.598 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2ccc(F)cc2s1 5189367 INHQUHLYLLIBGC-UHFFFAOYSA-N 398.868 3.891 0 40 GHAB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3ccn(C)n3)nc12 13667744 IDTFWHSRZQVSTH-UHFFFAOYSA-N 393.472 3.589 0 40 GHAB C[C@H]1Cc2cc(-c3cc(CC(=O)NCc4c(F)cccc4F)no3)ccc2O1 35592876 TXYYSCRNCVFJNN-LBPRGKRZSA-N 384.382 3.802 0 40 GHAB COc1ccccc1S(=O)(=O)NCC1(c2ccc([C@@H](C)O)s2)CCCC1 225683853 LQMNEUNIEXKITN-CQSZACIVSA-N 395.546 3.600 0 40 GHAB Cc1cccc(C(=O)Nc2sc(SCC(N)=O)nc2-c2ccccc2)c1 12442838 DNFMLVWCLWUCQV-UHFFFAOYSA-N 383.498 3.948 0 40 GHAB Cc1nc(C(=O)O[C@H](C)c2nnc(-c3cccs3)o2)nn1-c1ccc(F)cc1 21732652 NAVWBAGHWSOLIY-SNVBAGLBSA-N 399.407 3.744 0 40 GHAB O=C(C[C@H]1C=CCC1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40107829 QEQQUIBMNXNKEG-YOEHRIQHSA-N 380.410 3.841 0 40 GHAB CCc1ccc(CNC(=O)c2nnn(-c3cc(Cl)ccc3OC)c2C)cc1 51317551 WYCREYBXFCZMEU-UHFFFAOYSA-N 384.867 3.730 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3cc(-c4ccc(OC)cc4)nn32)cc1 20722423 RICLQLBLDSIXDS-GOSISDBHSA-N 392.415 3.739 0 40 GHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)[C@H]1Cc2ccccc2S1 11673517 NCDVVXZMQDHKNK-GOSISDBHSA-N 397.525 3.788 0 40 GHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)o2)cc1 7732579 WEBPMFHDZHUGGA-SLHHOWHOSA-N 384.432 3.745 0 40 GHAB CN(Cc1ccco1)C(=O)COC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 46316511 PLBGRKSZNRESDD-UHFFFAOYSA-N 381.215 3.883 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(OC)c1 780928 JMXJUDOUAIXOEO-UHFFFAOYSA-N 389.408 3.624 0 40 GHAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c(C)c1 2625434 BWKYCPGJOQXNGU-OAQYLSRUSA-N 399.878 3.671 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(Nc3ccccc3)s2)cc1 2644445 HBLIEYNPURYYQW-UHFFFAOYSA-N 399.501 3.971 0 40 GHAB O=C(CCN1C(=O)c2ccccc2C1=O)N(Cc1ccccc1)Cc1ccccc1 896497 IASBTVRZVLKHKP-UHFFFAOYSA-N 398.462 3.902 0 40 GHAB CN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 1447671 BULMODKVYZUWGQ-UHFFFAOYSA-N 387.462 3.978 0 40 GHAB COc1cc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc(OC)c1OC 2344141 PEROBXPELZSVDL-UHFFFAOYSA-N 385.445 3.792 0 40 GHAB Cc1nn(C)c(C(=O)NCc2ccc(Cl)cc2Cl)c1Br 2762457 BHRRHBUXXMCTQJ-UHFFFAOYSA-N 377.069 3.728 0 40 GHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)Cc2coc(-c3ccccc3)n2)CC1 32898952 VWMSDJNIHLBXDL-UHFFFAOYSA-N 390.439 3.711 0 40 GHAB O=C(CN1CCC(N2CCCCC2)CC1)Nc1ccccc1N1CCCCC1 4926767 YEEBKFKARUOMBI-UHFFFAOYSA-N 384.568 3.566 0 40 GHAB COc1cc(OC)cc(-c2nc(SCC(=O)Nc3ccc(C)cc3)n[nH]2)c1 6204764 CSIQKAZEIPBTQA-UHFFFAOYSA-N 384.461 3.528 0 40 GHAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCC(=O)C(C)(C)C)cc2)cc1 6479882 VQHRPDJNTTUQAP-UHFFFAOYSA-N 388.485 3.741 0 40 GHAB C=CCc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(OCC)c1O 6958656 UNGHDATVSPBVTP-XDHOZWIPSA-N 392.455 3.921 0 40 GHAB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)CCCC1=O 7881768 SROMWKSYELBXFV-AWEZNQCLSA-N 398.846 3.508 0 40 GHAB CCCn1nc(C)c(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1C 100755927 IRRUWXLRSIDFIR-DYESRHJHSA-N 380.540 3.562 0 40 GHAB O=C(COC(=O)CCC(=O)Nc1cccc2ccccc12)Nc1ccc(F)cc1 8415665 XHXUAUZLDKNVGE-UHFFFAOYSA-N 394.402 3.880 0 40 GHAB Cc1nc(-c2ccc(OCC(=O)Nc3cccc(Br)c3)cc2)no1 61112258 PDPHDJOMSPUSOA-UHFFFAOYSA-N 388.221 3.825 0 40 GHAB O=C(Nc1ccccn1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 22492424 YVMDKCHMIDWBLF-UHFFFAOYSA-N 377.423 3.533 0 40 GHAB CCOC(=O)c1c(NC(=O)CSc2nccn2C)sc2c1CC[C@H](C)C2 709265 PSBXBJHISSBMTE-NSHDSACASA-N 393.534 3.514 0 40 GHAB CCC1(COC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)COC1 721341 AKFTVGCBIPTMHH-UHFFFAOYSA-N 385.304 3.681 0 40 GHAB CC[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 22618682 CXETXBXHSOPDLH-KKSFZXQISA-N 393.487 3.920 0 40 GHAB CCCCN1C(=O)C[C@@H](C(=O)Nc2ccccc2O)[C@H]1c1ccc(OC)cc1 22699106 RHBANXRPENRQEC-DYESRHJHSA-N 382.460 3.729 0 40 GHAB O=c1cc(Cn2c(C(F)(F)F)nc3ccccc32)nc2ccc(Cl)cn12 23107745 INPQQUHYYOCZCS-UHFFFAOYSA-N 378.741 3.765 0 40 GHAB Cc1ccc2nc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)cc(=O)n2c1 23805266 DNWDXQMKSOZODM-MRXNPFEDSA-N 390.512 3.992 0 40 GHAB O=C(Nc1ncccc1O)c1ccc(SCc2cn3ccccc3n2)cc1 24469384 FKCVWRMFEKZXQU-UHFFFAOYSA-N 376.441 3.980 0 40 GHAB CC(C)[C@@H](CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)N1CCOCC1 25327457 FSKGHHLWDYYQQQ-OAQYLSRUSA-N 386.467 3.705 0 40 GHAB O=C(Cc1ccccc1Cl)NC1(c2nc(-c3cnccn3)no2)CCCCC1 77197504 OTLDSKMOHRSZJL-UHFFFAOYSA-N 397.866 3.698 0 40 GHAB CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NC[C@@H]2CCOC2)cc1 56713892 KPZSSHXZKMOLSY-AWEZNQCLSA-N 387.867 3.775 0 40 GHAB COc1ccc(Cl)cc1CC(=O)N(C)CC(=O)Nc1ccccc1SC 7962379 YKEDLAIEHVZITB-UHFFFAOYSA-N 392.908 3.710 0 40 GHAB Cc1ccccc1N(CC(=O)c1ccc2c(c1)OCCO2)C1=NCCCS1 27027412 LKKOUCYOKPCAIL-UHFFFAOYSA-N 382.485 3.948 0 40 GHAB COc1ccc(OCc2nnc3sc(CCCc4ccccc4)nn23)cc1 10312316 QZCUIDJNGQNRSU-UHFFFAOYSA-N 380.473 3.949 0 40 GHAB O=C(Nc1ccc(Br)cc1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 28580744 ZQHJCRUFDUMVCH-CYBMUJFWSA-N 391.240 3.575 0 40 GHAB CCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 3318103 MFSHTCWCPOEFOQ-UHFFFAOYSA-N 399.541 3.554 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 36837645 JEPAMZNOKIBIMD-IRXDYDNUSA-N 392.377 3.661 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 12786869 VTDSDAMZOOZXEY-UHFFFAOYSA-N 394.424 3.744 0 40 GHAB NC(=O)N[C@H](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1 12758693 XMVNHNPPPIGMJI-FGZHOGPDSA-N 387.483 3.886 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc1 16468982 OLGIVCLRJGZTJL-LJQANCHMSA-N 396.487 3.979 0 40 GHAB Cc1nc(C)c2c(C)c(C(=O)Nc3ncn(Cc4ccccc4)n3)sc2n1 48333086 ZYAGQULKHXMCMN-UHFFFAOYSA-N 378.461 3.509 0 40 GHAB Cc1ccc(C(=O)NCC2(N(C)C)CCCC2)cc1NC(=O)c1ccccc1 48365484 KOABDXLAXRRRSQ-UHFFFAOYSA-N 379.504 3.852 0 40 GHAB Cc1occc1-c1nnc(SC[C@H](O)COCc2ccc(Cl)cc2)n1C 48368005 FRFDBKDNQFHAML-OAHLLOKOSA-N 393.896 3.707 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(OC)cc1 3554803 ZRKZACBXBSEBII-UHFFFAOYSA-N 383.366 3.920 0 40 GHAB Cc1ccc(CN(C)c2cnn(CCOc3ccccc3)c(=O)c2Cl)cc1 12916083 VQLGBKARANCAHD-UHFFFAOYSA-N 383.879 3.921 0 40 GHAB Cc1nc(-c2ccco2)nc2sc(C(=O)NC[C@H](C(C)C)N(C)C)c(C)c12 12950098 ZYIYIXKHGSCNFP-CQSZACIVSA-N 386.521 3.884 0 40 GHAB O=C(CSc1cc(Cl)ccc1Cl)N1CCN(c2ccccn2)CC1 13095639 BTXMQYNHVAYPDZ-UHFFFAOYSA-N 382.316 3.829 0 40 GHAB CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N[C@H](C)c2ccc3ccccc3c2)c1 48801416 XBZLYBXUQQSWAI-OAHLLOKOSA-N 389.455 3.923 0 40 GHAB Cc1ccc(-c2nc(COC(=O)Cn3c(=O)oc4ccccc43)cs2)cc1 8157052 QJOPBWHWDWYNKN-UHFFFAOYSA-N 380.425 3.770 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1C 39621343 BSUYZMKJXPBFKC-MRXNPFEDSA-N 396.439 3.852 0 40 GHAB C[C@H]1Oc2ccccc2C=C1/C=c1\sc2nc(/C=C/c3ccccc3)nn2c1=O 5163172 RBAQVQAWEZFIHZ-WICHHIKHSA-N 399.475 3.685 0 40 GHAB C[C@@H](NC(=O)c1csc(-c2ccsc2)n1)c1ccc(-n2cncn2)cc1 14198237 KXCLEJKDBUAESM-GFCCVEGCSA-N 381.486 3.943 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2CN(Cc3cccnc3)C[C@@H]21 306133549 MPGUMEQEFRZYBW-UNMCSNQZSA-N 394.471 3.643 0 40 GHAB C[C@@H](NC(=O)CCNC(=O)NC1CCCCC1)C12CC3CC(CC(C3)C1)C2 14898499 IDRJLRXSRCVOGR-NOCBQHASSA-N 375.557 3.730 0 40 GHAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cc2cc(F)ccc2s1 8429581 DERGCPURSFBAHB-INIZCTEOSA-N 382.416 3.947 0 40 GHAB O=C(COc1cccc(Cl)c1)Nc1cc2c(cc1Br)OCCO2 6879724 YAPJTEJYYNOUPA-UHFFFAOYSA-N 398.640 3.891 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccccc1)S2 6812058 UZWCJLFXMGKJOR-SJORKVTESA-N 399.907 3.892 0 40 GHAB O=C1Nc2ccccc2/C1=C1/SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 409313441 BZNFPAMXYADNMY-NXVVXOECSA-N 398.827 3.582 0 40 GHAB Cc1cc2nc(SCC(=O)Nc3ccc(F)cc3F)n(C(C)C)c(=O)c2[nH]1 67235999 FEOXOALZZJETSV-UHFFFAOYSA-N 392.431 3.623 0 40 GHAB CC(C)n1cnc([C@H]2CN(Cc3cccs3)C[C@]23CCN(CC2CC2)C3=O)c1 306124225 BJVXEPXYYFNYCE-DENIHFKCSA-N 398.576 3.754 0 40 GHAB CC(=O)c1sc(NC(=O)c2cccc(I)c2)nc1C 8993730 RPGKNTKGHAWORT-UHFFFAOYSA-N 386.214 3.511 0 40 GHAB Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3nc(-c4ccccc4)no3)cnc12 9322910 YMCJXWSCUYLLEW-UHFFFAOYSA-N 389.440 3.721 0 40 GHAB Cc1nn2c(ncc3c(=O)n(-c4nccs4)ccc32)c1-c1ccc(F)cc1 19821355 XUAPWWMZXLLTGS-UHFFFAOYSA-N 377.404 3.604 0 40 GHAB COc1ccc(-c2noc(CCCC(=O)Nc3cc(OC)ccc3OC)n2)cc1 19816407 DODSTRIGNYQKJI-UHFFFAOYSA-N 397.431 3.724 0 40 GHAB O=C(/C=C/c1ccccc1Br)Nc1ccn(Cc2cccnc2)n1 84494416 KAZAIBGIQAUKRR-BQYQJAHWSA-N 383.249 3.741 0 40 GHAB CN(C)[C@@H](CNc1ncnc2scc(-c3ccc(F)cc3)c12)c1cnn(C)c1 95960175 WTCRJLAUHRQCMR-KRWDZBQOSA-N 396.495 3.946 0 40 GHAB O=C(OCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1cc(Cl)c[nH]1 95954541 BFHSUUKZKPMRKS-LJQANCHMSA-N 394.858 3.999 0 40 GHAB CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408668794 FFTVJOGKRKNTLB-ZCLUNYJNSA-N 386.451 3.813 0 40 GHAB Cc1cc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)n(-c2ccc(F)cc2)n1 28246652 TVMNSBYTZLWZTM-FQEVSTJZSA-N 378.451 3.923 0 40 GHAB CNc1ncc(CN(Cc2ccccc2F)C2CC(C)(C)NC(C)(C)C2)cn1 36740479 YZYOSZORPLGGGA-UHFFFAOYSA-N 385.531 3.969 0 40 GHAB Cc1ccn2c(=O)cc(COc3cc(NC(=O)c4ccco4)ccc3C)nc2c1 33068050 KUUSVDPFCXHXJO-UHFFFAOYSA-N 389.411 3.736 0 40 GHAB CCn1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3onc(C)c23)n1 36614136 OQPRHZJERUIWFQ-UHFFFAOYSA-N 377.404 3.676 0 40 GHAB CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ncnc2cc(Cl)ccc12 548347773 OOZAYNAGGGULGL-IFXJQAMLSA-N 384.915 3.536 0 40 GHAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1C 39758105 CGQTVTHHZYXAMJ-UHFFFAOYSA-N 384.451 3.771 0 40 GHAB Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Cc2noc3ccccc23)C1 523271422 VXKJRONANNOHFJ-HNNXBMFYSA-N 383.879 3.975 0 40 GHAB Fc1c(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)cccc1C(F)F 528111782 VXHJZDDYMHBXCZ-UHFFFAOYSA-N 376.338 3.712 0 40 GHAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cc1Br 22961362 KQCCZIKNXKDHBR-UHFFFAOYSA-N 396.306 3.811 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 36121635 MEMQITQFYKCDMQ-BODMPHMZSA-N 399.878 3.663 0 40 GHAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2C[C@H](CO)OC[C@@H]2C)c(C(C)C)c1 1561349886 QTUSWCVNQRZJOP-FUHWJXTLSA-N 397.581 3.827 0 40 GHAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38834522 OFEAXHRVZLDPFV-INIZCTEOSA-N 386.879 3.977 0 40 GHAB O=C(N1CCC(c2ncncc2-c2ccncc2)CC1)C1(c2ccccc2)CC1 72389423 WZARFGMYMYXRAL-UHFFFAOYSA-N 384.483 3.976 0 40 GHAB Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3coc(C)n3)CC2)cc1 72363270 PVBMQCNGCZUNCE-UHFFFAOYSA-N 378.432 3.894 0 40 GHAB CCCn1nc(C(=O)Nc2ccccc2N2CCc3sccc3C2)ccc1=O 40134151 SLKZXFCJFKVBRE-UHFFFAOYSA-N 394.500 3.530 0 40 GHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)n1C 223890272 CTBPJOLXNYEHIL-NHCUHLMSSA-N 391.544 3.972 0 40 GHAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(N)c2)cc1 226263869 HQNYBGIDFPQHTH-UHFFFAOYSA-N 396.535 3.842 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c1 40059969 MAMJCSITLXOTFM-ARFHVFGLSA-N 393.553 3.524 0 40 GHAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1ccc(Cl)cc1Cl 224351828 IJHLAHHLXZUFSC-UHFFFAOYSA-N 380.279 3.702 0 40 GHAB CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220475238 YSYAEHNHTQCVAB-CQSZACIVSA-N 392.496 3.744 0 40 GHAB CC[C@H](C)[C@H](NC(C)=O)c1nc(-c2cc(Cl)c3c(c2)OCCCO3)no1 570604889 VHKSBMGICKSEBL-BONVTDFDSA-N 379.844 3.775 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1F 224973216 PWBNKCIDIAIDFL-JOCHJYFZSA-N 398.522 3.990 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(c1cc(C)ccc1C)S(C)(=O)=O 220540971 PSLZJNNINBEWMA-KRWDZBQOSA-N 396.459 3.765 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)NCCN2CCC(c3cccs3)CC2)c1 77104141 UCVIGHLQNKRXEY-UHFFFAOYSA-N 378.563 3.523 0 40 GHAB C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccc(F)cc3)n2)C1 225949619 VQSHSAYZOVTCAL-GFCCVEGCSA-N 393.919 3.992 0 40 GHAB O=S(=O)(NCc1ccnc(-c2ccco2)c1)c1ccc(OC(F)(F)F)cc1 225658834 BRPDHMWFPRCKOF-UHFFFAOYSA-N 398.362 3.719 0 40 GHAB COc1ccc(-c2ncc(C(=O)Nc3cc(OC)ccc3OC)c(C)n2)cc1 223143115 DNNBEHCFTZMUNP-UHFFFAOYSA-N 379.416 3.730 0 40 GHAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223378108 QHCPLTIIHVVKQQ-SFTDATJTSA-N 392.528 3.702 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 223591396 MTSWJGWHTIALCJ-IBGZPJMESA-N 382.504 3.544 0 40 GHAB CCOc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1OC 85384347 XZZLJPCJCAKRBI-UHFFFAOYSA-N 385.420 3.572 0 40 GHAB C[C@H](NC(=O)c1cc(-n2cccc2)ccc1Cl)c1ncc(C(=O)O)s1 1593145284 BTSHMXODFCVXMH-JTQLQIEISA-N 375.837 3.776 0 40 GHAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN([C@H](C)Cc2ccc(F)cc2)C1 247917485 BNBNWBMDHVTXPC-MWTRTKDXSA-N 382.479 3.586 0 40 GHAB CC(C)C[C@H]1CN(C(=O)CCc2cnn(C)c2)CC[C@H]1Nc1cccc(F)c1 257339538 ZCDOYZKSVMSYEH-GHTZIAJQSA-N 386.515 3.867 0 40 GHAB C[C@@H](NC(=O)N1CCC(Oc2cnccn2)CC1)c1cc2cccc(F)c2o1 585140003 MVWBXJIYWIPGKR-CYBMUJFWSA-N 384.411 3.676 0 40 GHAB Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccccc23)c1 85568829 GOZJCCZYHATOAF-UHFFFAOYSA-N 394.496 3.920 0 40 GHAB Cn1cc([C@@H]2CCCN(C(=O)c3[nH]c4ccc(Cl)cc4c3Cl)C2)nn1 1606959390 JKXLBTGIWOZCCC-SNVBAGLBSA-N 378.263 3.623 0 40 GHAB Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)c3cccs3)s2)c1 90610589 UTGJDWYVTKYIJN-UHFFFAOYSA-N 377.512 3.828 0 40 GHAB O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1nc2ccccc2s1 96121549 MFLSCEDFBCDRJN-UHFFFAOYSA-N 394.422 3.820 0 40 GHAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cc4c(s2)CCC4)C3)c1 575404837 PCNQCEFURPUDTC-GOSISDBHSA-N 398.528 3.531 0 40 GHAB O=c1c(C(F)(F)F)cc(C2CC2)nn1Cc1coc(-c2cccc(F)c2)n1 70038224 ZDHJJELTZYBCQS-UHFFFAOYSA-N 379.313 3.982 0 40 GHAB CCn1c(S[C@@H](C)C(=O)OC)nc2scc(-c3cccs3)c2c1=O 5583436 XSKAJIOCNRXWKP-VIFPVBQESA-N 380.516 3.860 0 40 GHAB CCn1c(N2CCC(C(=O)NCc3ccc(OC)cc3)CC2)nc2ccccc21 12116374 ULNLTIHBUMKULM-UHFFFAOYSA-N 392.503 3.598 0 40 GHAB COc1ccccc1CCNC(=O)c1ccc(NC(=O)c2cccs2)cc1 17845642 CYHMGONEYLFXLV-UHFFFAOYSA-N 380.469 3.982 0 40 GHAB COc1cc2cc(C3CCN(C(=O)CCn4ccc(C)n4)CC3)ncc2cc1C 19238051 HQSYYKRDDVNOKH-UHFFFAOYSA-N 392.503 3.853 0 40 GHAB Cc1cccc(NC(=O)C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)c1 4375193 RLPLTPHRQYIFCN-UHFFFAOYSA-N 397.475 3.863 0 40 GHAB Cc1ccc(Cl)c2sc(N(C[C@H]3CCCO3)C(=O)c3ccn(C)n3)nc12 11695567 UJICINARLICULK-GFCCVEGCSA-N 390.896 3.817 0 40 GHAB O=C1[C@H]2[C@@H](c3ccc4ccccc4n3)N3CCC[C@@H]3[C@@H]2C(=O)N1c1ccccc1 33821678 RKOONEMLJYTHIL-CIAFKFPVSA-N 383.451 3.560 0 40 GHAB C[C@@](O)(CNC(=O)CCc1ccccc1Br)Cc1ccsc1 618257420 VVOGILQBENVHEL-KRWDZBQOSA-N 382.323 3.553 0 40 GHAB O=C([C@@H]1CCCN(c2ncc(Cl)cc2Cl)C1)N1CCC(F)(F)CC1 2298047637 XKMCMBVKNKZXMQ-LLVKDONJSA-N 378.250 3.863 0 40 GHAB CCOC(=O)[C@](O)(c1ccc(NC(=S)Nc2ccccc2)cc1)C(F)(F)F 2250719 HVNGOJHBUOQLAS-QGZVFWFLSA-N 398.406 3.809 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c(C)c1 22475586 AUWZQCADESFPPI-UHFFFAOYSA-N 381.501 3.966 0 40 GHAB CC(C)c1noc2ncc(C(=O)N[C@H]3CCC[C@H](OCC(F)(F)F)C3)cc12 40081017 UCBGEBRLOVVLGI-STQMWFEESA-N 385.386 3.966 0 40 GHAB CN(CCN(C)S(=O)(=O)c1cccc(C(F)(F)F)c1)C1CCCCC1 40151494 FXAXCTHRNZLYST-UHFFFAOYSA-N 378.460 3.590 0 40 GHAB Cc1c(C(=O)NCCc2cnn(-c3ccccc3)c2)oc2c1C(=O)CC(C)(C)C2 40141793 CKHNAXBRACXUGO-UHFFFAOYSA-N 391.471 3.901 0 40 GHAB CSc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1ccccc1Cl 31278500 BQRRZVVDOJHTPN-CYBMUJFWSA-N 392.908 3.926 0 40 GHAB O=C(NCc1ccccc1)c1ccc(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 100756226 AMYDYBNJVAGEPH-MOPGFXCFSA-N 394.858 3.639 0 40 GHAB COC(=O)Cn1cnc2c(sc3nc(C4CCCCC4)c4c(c32)CCC4)c1=O 31818400 FWHAQHPNABRTOM-UHFFFAOYSA-N 397.500 3.716 0 40 GHAB COc1cc(O)ccc1NC(=O)c1cccc(-c2ccnn2[C@H]2CCCCO2)n1 1857793400 YDMJAVBZWDIJIJ-HXUWFJFHSA-N 394.431 3.611 0 40 GHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@H](C(N)=O)c1ccc(F)cc1 11657105 QDOAGCCBIPCROR-AWEZNQCLSA-N 392.452 3.564 0 40 GHAB Cc1cc(NC(=O)Cc2csc(NC(=O)C3CC3)n2)ccc1Br 17011073 JQYVBPCLPFOFSK-UHFFFAOYSA-N 394.294 3.744 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)cc(C)c3)C2)cc1 791712 HMFLEVDAPXRGSG-GOSISDBHSA-N 386.517 3.651 0 40 GHAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2F)sc(C)c1C 863625 HOUIJMDPWRIHAM-UHFFFAOYSA-N 380.466 3.808 0 40 GHAB C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccccc1 1948902 KRCPIUMKKZOEPW-LLVKDONJSA-N 380.227 3.538 0 40 GHAB CC(=O)c1cccc(NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 32718883 TYBLLJUDJJHIRJ-FQEVSTJZSA-N 394.471 3.826 0 40 GHAB CSc1nccc(O[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)n1 3124356 VSFBZUBSTYDKLK-GFCCVEGCSA-N 392.695 3.704 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)c1nn(-c2ccccc2)c(C)cc1=O 69454325 YACLBRYHJTXVLC-UHFFFAOYSA-N 383.835 3.764 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3nnc(SC(C)C)s3)no2)cc1 11916064 BVUBAVDTXGRRDR-UHFFFAOYSA-N 376.463 3.955 0 40 GHAB COc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)cc1OC 4909293 BOSGMMXKTWQDGJ-IBGZPJMESA-N 383.835 3.922 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 6352276 NFNLKPMNBBPGGA-LBPRGKRZSA-N 396.896 3.678 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1C 7005486 KMPUKJCRIUXDLE-UHFFFAOYSA-N 392.242 3.734 0 40 GHAB COC(=O)c1ccc(OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c(OC)c1 7033482 KWCXBUICIVFXHZ-UHFFFAOYSA-N 399.365 3.724 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](NCCC(=O)N2CCCC2)c2ccccc2)c1 21793582 YRORMOKWBOMJQA-JOCHJYFZSA-N 379.504 3.585 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(SC)cc2)c1 12038451 JBYKSXPYLNLOGX-UHFFFAOYSA-N 378.519 3.691 0 40 GHAB COc1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)c(OC)c1 2725273 YKSBSOCEHRZQPC-UHFFFAOYSA-N 384.310 3.513 0 40 GHAB COc1ccc(OC[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 10543585 AJYCLKLBPRCBAT-NSHDSACASA-N 390.288 3.748 0 40 GHAB COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)c(OC)c1 8072147 CAKNJODJOZDVPE-UHFFFAOYSA-N 388.427 3.998 0 40 GHAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1S(=O)(=O)NC(C)C 8475883 JCTRZUAEVKWOIL-UHFFFAOYSA-N 396.896 3.596 0 40 GHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 8500036 NUZQFJWKKUJCNU-CLNPQZTCSA-N 378.516 3.928 0 40 GHAB CCCCCC(=O)N[C@H](Oc1ccccc1C(N)=O)C(Cl)(Cl)Cl 2702015 JZZHWRUMXSSCFO-CQSZACIVSA-N 381.687 3.557 0 40 GHAB COc1ccc(-c2cc(-c3nn4c(-c5cccnc5)nnc4s3)no2)cc1F 12391355 JJAAEIMSFRELNR-UHFFFAOYSA-N 394.391 3.718 0 40 GHAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N[C@@H]2CCSc3ccccc32)CC1=O 23732184 BZZWZNOLJJUNOT-HHXXYDBFSA-N 380.513 3.949 0 40 GHAB COc1ccccc1-c1nn2c(O)cc(CCc3c(C)noc3C)nc2c1C 100776363 ISMWQECDGGRGCK-UHFFFAOYSA-N 378.432 3.809 0 40 GHAB O=C(CCN1CCSC1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 12520057 ULBZRIIBKGEHPR-SFHVURJKSA-N 394.500 3.522 0 40 GHAB CCc1noc([C@H](C)N2CCN(Cc3ccccc3Oc3cccnc3)CC2)n1 106136410 QMCITPIUTBKRSY-KRWDZBQOSA-N 393.491 3.698 0 40 GHAB CCc1nn2c(O)cc(-c3cccnc3)nc2c1-c1ccc(OC)c(OC)c1 100219671 YNUQNIIIVLGDSQ-UHFFFAOYSA-N 376.416 3.744 0 40 GHAB CC(C)(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c1 25511195 MGCOIXLTAHGVGU-INIZCTEOSA-N 383.448 3.508 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2ccc(OC)c(-c3ccc(OC)cc3)c2)nc1 25767170 YUWPACMEAVEZCE-UHFFFAOYSA-N 392.411 3.805 0 40 GHAB O=C(NC[C@@H]1COCCO1)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 56749027 VTEQGKBLHBUSGD-OAHLLOKOSA-N 380.366 3.909 0 40 GHAB COCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccncc1 3221994 JNXYZQTYUDHGLT-UHFFFAOYSA-N 388.880 3.615 0 40 GHAB Cc1ccc(C)c(-n2cnn(CN3CCN(c4ccc(F)cc4)CC3)c2=S)c1 57438950 SZDPDGIYVURQEV-UHFFFAOYSA-N 397.523 3.939 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2ccc(F)cc2C)c(Nc2cccc(F)c2)n1 57506353 UYRBQTSYOBINSZ-UHFFFAOYSA-N 384.386 3.521 0 40 GHAB CC(=O)NCCc1ccc(C(=O)[C@@H](C)Sc2ncnc3ccsc23)cc1 26963973 KYNVFXPQTREGSZ-GFCCVEGCSA-N 385.514 3.733 0 40 GHAB Cn1ccnc1[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 12629349 GVCWRYMAZIHZPI-GOSISDBHSA-N 389.377 3.724 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1cccc2c1CCC[C@@H]2O 10022203 AZEFLXCSMPWQDX-FQEVSTJZSA-N 391.471 3.876 0 40 GHAB Cc1ncc(CN(C)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 58166475 WEQHQXMCSMWDOE-STQMWFEESA-N 392.500 3.868 0 40 GHAB CCn1nc(C)c2c(C(=O)Nc3ccn(Cc4ccccc4C)n3)cc(C)nc21 28245233 FWONZHFXJCQRNT-UHFFFAOYSA-N 388.475 3.874 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)Cc1c(F)cccc1Cl)N1CCCC1 22679847 VGPSAZCZTQRAPU-LJQANCHMSA-N 390.886 3.984 0 40 GHAB COc1cccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)cc3)cs2)c1 12795772 RNSXDZZMLXEQEZ-UHFFFAOYSA-N 388.514 3.577 0 40 GHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccc(F)cc3)N2C1=O 2487204 UKWVHLXSOSFSRZ-GOEBONIOSA-N 376.453 3.816 0 40 GHAB CC(CNC(=O)c1cccc(-c2nnn[nH]2)c1)(c1ccccc1)c1ccccc1 12751685 DMWZACZBKUIQMY-UHFFFAOYSA-N 383.455 3.603 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@@H]3C)c12 45682738 IPSFXOSQTMWAQA-STQMWFEESA-N 397.431 3.738 0 40 GHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1ccc(Cl)cc1 3407490 OIQNNTNCTAJAFJ-AWNIVKPZSA-N 399.878 3.799 0 40 GHAB Cc1ccc(C(=O)CCC(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)s1 8409112 FFSGVLGNFZXSSH-UHFFFAOYSA-N 386.425 3.883 0 40 GHAB CCOc1ccc(OCCN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)cc1 12978103 JUORJTHXICZFJA-HSZRJFAPSA-N 394.471 3.638 0 40 GHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@@H](O)c2ccc(Cl)cc2)C1=O 12976233 VWWWBHWJRFUMDZ-APWZRJJASA-N 393.270 3.884 0 40 GHAB COc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc(-n3cccc3)c2)cc(OC)c1 18025118 VWXQJGSEDLFPJK-OAHLLOKOSA-N 394.427 3.679 0 40 GHAB CN(CC(=O)OC(C)(C)C)C(=O)CCCOc1ccc(Cl)cc1Cl 69918704 RDHYJVBUGUMZKN-UHFFFAOYSA-N 376.280 3.953 0 40 GHAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccc(N2CCOCC2)cc1 6381963 XSELCLSEXQTJJN-OAHLLOKOSA-N 396.516 3.529 0 40 GHAB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc(-c2ccccc2)cs1 18222306 IBKSMXXAZRXJKC-UHFFFAOYSA-N 396.491 3.710 0 40 GHAB O=C(O)CC1=C2CN(C1=O)[C@H](c1ccccc1)c1cc(Br)ccc1N2 4561173 VWTZSNCNIJWNTG-GOSISDBHSA-N 399.244 3.535 0 40 GHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)Nc1cccnc1Cl 65770771 CXMSLZCEYOMFAT-UHFFFAOYSA-N 389.868 3.825 0 40 GHAB O=C([C@@H](Sc1nnnn1Cc1ccccc1)c1ccccc1)N1CCCCC1 14245606 VIRBLIXISIGLAF-IBGZPJMESA-N 393.516 3.567 0 40 GHAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@@H]2CCCO2)c1 6583242 YQCBOKVKMAEZGB-IBGZPJMESA-N 395.434 3.596 0 40 GHAB Cc1ccccc1NC(=O)C[C@@H]1SC(c2cc3ccccc3oc2=O)=NC1=O 18992428 NOAOYPBWSVOBIN-KRWDZBQOSA-N 392.436 3.519 0 40 GHAB COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)N1CCc2ccccc2C1 5666965 IGYBUZHBAKRVME-INIZCTEOSA-N 389.451 3.979 0 40 GHAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C)CC2)cc1OC 4811400 HHSCXQURKZDLJL-IBGZPJMESA-N 393.487 3.669 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 4855571 WWTWYYQCYSEIST-UHFFFAOYSA-N 395.532 3.907 0 40 GHAB CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(Cl)cc1 6881393 FSSZAZPQVADYQC-UHFFFAOYSA-N 390.274 3.645 0 40 GHAB CCOC(=O)c1c(NC(=S)NC[C@@H]2CCCO2)sc2c1CCCCC2 6955801 PAQBEQRMBAXKOS-LBPRGKRZSA-N 382.551 3.659 0 40 GHAB COc1cc(/C=C/C(=O)OCCOC(=O)c2ccccc2)ccc1OC(F)F 6942090 MLQGYSRMFBJUKU-CSKARUKUSA-N 392.354 3.710 0 40 GHAB CCOc1ncccc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 5965971 VYTHJAQBYSFXNO-CQSZACIVSA-N 383.473 3.916 0 40 GHAB CCC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccccc1 7037534 FTQOYFMOXMIIIC-SFHVURJKSA-N 394.924 3.862 0 40 GHAB CC(C)[C@@H](N[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 7255770 PILWGXDCBMTIIU-XMSQKQJNSA-N 381.520 3.837 0 40 GHAB CNc1nnc(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)s1 7383216 FXXMWAOTWQJFCB-AWEZNQCLSA-N 394.522 3.778 0 40 GHAB CCOc1ccc2nc(NS(=O)(=O)c3cc(C)ccc3OC)sc2c1 7422624 XZVZYZFLPRSQKM-UHFFFAOYSA-N 378.475 3.813 0 40 GHAB CCN(CC)C(=O)[C@@H](Sc1nnnn1-c1ccc(C)cc1C)c1ccccc1 7912652 VBAJSZXOTLNPDQ-IBGZPJMESA-N 395.532 3.981 0 40 GHAB CCOC(=O)c1s/c(=N/C(=O)c2sc(-c3ccccc3)nc2C)[nH]c1C 7996084 LQYFNAXDAGMDHF-UHFFFAOYSA-N 387.486 3.734 0 40 GHAB COc1ccc(C(=O)NC[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)c2ccccc12 96002228 JYUVRDNZZKRQEJ-UZUQRXQVSA-N 388.467 3.798 0 40 GHAB CCOc1ccccc1NS(=O)(=O)c1c(C(=O)OC)sc2ccccc12 9646368 NUJBZBCHTSYCPZ-UHFFFAOYSA-N 391.470 3.887 0 40 GHAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(O)c(OC)c1 9764308 IEQQBSPAIFMABD-LJQANCHMSA-N 379.412 3.771 0 40 GHAB Cc1cccc(OC2CCN(CCCc3nc(-c4ccccc4)no3)CC2)n1 95462515 VHBMAMXKMQZIQL-UHFFFAOYSA-N 378.476 3.916 0 40 GHAB COC(=O)N1CCCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 89913673 FXPHIEALISQRSU-GFCCVEGCSA-N 398.385 3.591 0 40 GHAB CCN(CC)CCn1/c(=N/C(=O)c2c(F)cccc2Cl)[nH]c2ccccc21 28305541 OELBZCPBTWTZDM-UHFFFAOYSA-N 388.874 3.845 0 40 GHAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2OC)o1 21545437 HLBNGXFKEZIVSG-UHFFFAOYSA-N 385.445 3.875 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccccc2)cc1-c1noc(C(C)(C)C)n1 64789587 LZOGJHNHAUAHNB-UHFFFAOYSA-N 387.461 3.844 0 40 GHAB O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)N[C@H]1CC12CCOCC2 514842765 FFIMSNCEHMCPCL-HNNXBMFYSA-N 380.370 3.582 0 40 GHAB c1cc(-c2ccc3nc([C@@H]4CCN(Cc5ccc6c(c5)OCO6)C4)nn3c2)ccn1 306144088 YVTZYCBDAHXZQV-LJQANCHMSA-N 399.454 3.510 0 40 GHAB CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccccc1-n1cccc1 1524516114 NSWMHWWHIUGZSU-UHFFFAOYSA-N 377.444 3.830 0 40 GHAB Cc1nn2c(ncc3c(=O)n(CCCC(=O)O)ccc32)c1-c1ccc(Cl)cc1 40397663 QUYMXEPTCLCKRV-UHFFFAOYSA-N 396.834 3.538 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 225341025 TUVRRYHAPRFALQ-QGZVFWFLSA-N 388.533 3.509 0 40 GHAB CS(=O)(=O)Cc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)cc1 40071151 ALJPUBXFYIPCEM-UHFFFAOYSA-N 381.906 3.637 0 40 GHAB O=C(COc1ccccc1F)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200147 WGPHHWOSMLSOLI-DLBZAZTESA-N 386.423 3.881 0 40 GHAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(N2CCOCC2)nc1 223910821 LBCZESHOFZULCB-UHFFFAOYSA-N 394.500 3.665 0 40 GHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(N4CCCC4=O)cc3)s2)cc1 225567063 OHWHQSKJURHRTP-UHFFFAOYSA-N 378.457 3.893 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1 223931840 FSKXJWQMQFZUGV-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB O=C(Cn1ccc2c(Br)cccc21)Nc1ccc2c(c1)OCCO2 40266257 JLFBZUVFJWATQJ-UHFFFAOYSA-N 387.233 3.814 0 40 GHAB CC(C)NC(=S)Nc1nc(N2C[C@@H](C)C[C@@H](C)C2)cc(C(F)(F)F)n1 225890040 APNPXXFYXAJTAY-PHIMTYICSA-N 375.464 3.673 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 224352326 JWFDWYBKZAPVKP-IBGZPJMESA-N 390.886 3.965 0 40 GHAB COc1cc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc(OC)c1OC 223640335 LDOCSEJJAJYTDH-HNNXBMFYSA-N 399.487 3.675 0 40 GHAB O=C(c1ccc(F)c(F)c1)N1CCC2(CC1)OCC[C@H]2CCOCC1CC1 247822718 IBKVMDVRYVJUAB-QGZVFWFLSA-N 379.447 3.793 0 40 GHAB NC(=O)C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)c2ccccc2)C1 257212694 CEOXLQIVSSPASV-NRFANRHFSA-N 386.879 3.517 0 40 GHAB CN1CCN(C(=O)CCC2CCCC2)C[C@H](Cc2ccnc3cccnc23)C1 257333746 YCXJNYKGJPCBAE-LJQANCHMSA-N 380.536 3.533 0 40 GHAB CC1(c2ncc(Cc3ccccc3F)o2)CCN(C(=O)C2CCOCC2)CC1 257320705 VYDUSXRSIYUSON-UHFFFAOYSA-N 386.467 3.711 0 40 GHAB O=C(NCC1CCOCC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257232599 GLPBKSKUTRPSPR-UHFFFAOYSA-N 394.515 3.631 0 40 GHAB O=C(COc1cccnc1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257214770 CNJLUIYKYSNTDP-KRWDZBQOSA-N 395.434 3.585 0 40 GHAB COc1ccc([C@H](CNC(=O)[C@@H]2CCCN2C)c2c[nH]c3ccccc23)cc1 588921793 ZKYBIOIWJFTICI-UGKGYDQZSA-N 377.488 3.519 0 40 GHAB COc1cc(N2CCC[C@H](C)C2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 260710222 FARRQSIGYLUJPJ-LSDHHAIUSA-N 385.537 3.769 0 40 GHAB COc1cc(OC)cc(C(=O)NCc2ccc([C@@H](O)c3cccs3)s2)c1 90613585 WNLNREZPPHONBX-SFHVURJKSA-N 389.498 3.839 0 40 GHAB CCCN(Cc1cnc2ccccc2n1)C1CCN(c2cc(C)nc(C)n2)CC1 660073263 CKJKGRDBXIKAMF-UHFFFAOYSA-N 390.535 3.918 0 40 GHAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(-c3cccs3)cc2)C1 96120109 VFCQRMIJEJJVOJ-MRXNPFEDSA-N 377.531 3.843 0 40 GHAB COc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccccc1 585139055 HCSFGMHLGGSQEE-RBUKOAKNSA-N 380.488 3.799 0 40 GHAB Cc1noc(C)c1CN1C(=O)CC[C@@]12CCCN(CC1CC(F)(F)C1)CC2 585099855 KCMDXLHUJOECPU-LJQANCHMSA-N 381.467 3.684 0 40 GHAB CC(C)(CNC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccc(F)cc1 1528423217 SQVNNDLXDRHDDI-SFHVURJKSA-N 398.478 3.878 0 40 GHAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1C 60093612 SDKMNGUFCMHVKP-FQEVSTJZSA-N 386.517 3.961 0 40 GHAB COc1cc(CN2C[C@@H](N(C)C)[C@H](c3cn(C)c4ccccc34)C2)cc(OC)c1 72395145 MOIBDDJSBWGEAF-LADGPHEKSA-N 393.531 3.725 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549168770 ZCQOQIOBIHTXBL-UHFFFAOYSA-N 384.863 3.679 0 40 GHAB Cc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3ccccn3)CC2)o1 12089657 PRQIVVYQZNKFFA-JOCHJYFZSA-N 381.451 3.526 0 40 GHAB Cn1ncc2c1CCc1sc(NC(=O)c3ccccc3C(F)(F)F)nc1-2 12327186 LJQWGKYCMXKFHM-UHFFFAOYSA-N 378.379 3.913 0 40 GHAB COc1ccc2c(CN3CCC(O)(c4ccccc4OC)CC3)cn(C)c2c1 12328837 ONTPOCDLMAGHKC-UHFFFAOYSA-N 380.488 3.679 0 40 GHAB COc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(C)cc3)CC2)c(OC)c1 12470767 FGCUDDHIUHOEQF-UHFFFAOYSA-N 396.487 3.546 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccc(C)cc3)n2)s1 12765100 NTMJUJWVXBSVSU-UHFFFAOYSA-N 385.514 3.997 0 40 GHAB Cc1cccc(OCCCC(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)c1 12926884 KFZPFFIBCUOOLT-LJQANCHMSA-N 384.501 3.694 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1nc(-c2ccccc2)oc1C 17973146 RSHQDYGEVDEXOM-UHFFFAOYSA-N 377.444 3.978 0 40 GHAB Cc1ccc([C@H](C)N2CCN(C(=O)c3c(-c4ccncc4)noc3C)CC2)cc1 19136409 INGGISXUFDWDDF-KRWDZBQOSA-N 390.487 3.872 0 40 GHAB Cc1ccc(CN2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc1C 19214027 RCNJTKQPSKMHAQ-UHFFFAOYSA-N 380.536 3.612 0 40 GHAB Cc1ccc2oc(CN3C[C@@H]4CCC[C@H](C3)C4(O)c3nccn3C)c(C)c2c1 19220489 SRHBVUFWHMYBLU-NHJWOMDBSA-N 379.504 3.903 0 40 GHAB Cc1nc([C@@H]2CCCCN2C(=O)C2CCC2)ncc1C(=O)NCc1ccccc1 19766340 UKKNVUASBQTEPM-FQEVSTJZSA-N 392.503 3.569 0 40 GHAB C[C@@H](NC(=O)N[C@H](C)C1CCC(F)(F)CC1)c1ncc(Br)cn1 654573445 FAONQMXBKQMQCU-NXEZZACHSA-N 391.260 3.813 0 40 GHAB O=C(O)/C=C/c1cccc(NC(=O)c2ccc(I)cc2)c1 157789311 RIWPPUOOMVKUPK-RUDMXATFSA-N 393.180 3.641 0 40 GHAB CCN(CC)CCn1/c(=N/C(=O)Cc2ccccc2Cl)[nH]c2ccccc21 14651219 OVRHBWSUIMWFCE-UHFFFAOYSA-N 384.911 3.635 0 40 GHAB CC[C@@H](C(=O)Oc1coc(CSc2ncccn2)cc1=O)c1ccccc1 4377354 BCWFLYPUKILOBW-MRXNPFEDSA-N 382.441 3.821 0 40 GHAB CCOc1ccc(CC(=O)Nc2cccc(-c3ccc4nnc(C)n4n3)c2)cc1 5168872 XGGAPZMPEYXJQC-UHFFFAOYSA-N 387.443 3.680 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)c1 5270141 WBJZHFQJGBSFEJ-UHFFFAOYSA-N 389.455 3.724 0 40 GHAB Cc1ccc(NC(=O)Cn2cnc3c(sc4ncccc43)c2=O)c(Cl)c1 16842839 SUTKXPCGPJGDRJ-UHFFFAOYSA-N 384.848 3.607 0 40 GHAB O=C(COc1ccc2c(c1)OCO2)Nc1ccccc1-c1cn2ccsc2n1 206893086 HZLRPTCNPKLTKR-UHFFFAOYSA-N 393.424 3.809 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@H](c2cccc3ccccc23)N(C)C)cc1 42381913 RZUTYZWRBIKNTJ-OAQYLSRUSA-N 376.456 3.659 0 40 GHAB COc1ccc(Cc2nnc(SCCCOc3ccccc3C=O)n2C)cc1 8731746 PCOJSAXQQZIJSV-UHFFFAOYSA-N 397.500 3.788 0 40 GHAB COc1ccc([C@@H]2CN(C(=O)c3csc4c3CCCC4)C[C@H]2C(=O)O)cc1 12181371 OAZPDSRZLWMHQS-DLBZAZTESA-N 385.485 3.576 0 40 GHAB Clc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1Cl 5075220 AKVGDCSDHQWUBP-UHFFFAOYSA-N 391.287 3.822 0 40 GHAB Cc1c(F)cccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 12372498 AOENRWXHXMXVJO-UHFFFAOYSA-N 390.480 3.951 0 40 GHAB C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2Br)C[C@@H](C)O1 40098270 FQLYFAQYPYXTQQ-RKDXNWHRSA-N 392.091 3.853 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 40104614 KHYYWSCXJCFYLX-UHFFFAOYSA-N 380.427 3.868 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCCO3)NC1CCCCC1 101151938 CAVXISQFXRSPQQ-UHFFFAOYSA-N 397.397 3.665 0 40 GHAB CCCCc1ccc(N2C(=O)[C@H]3ON=C(c4ccccc4Cl)[C@H]3C2=O)cc1 101288697 ILUGBQGQEXLMFQ-MJGOQNOKSA-N 382.847 3.975 0 40 GHAB CN1C(=O)CC[C@H](C(=O)Nc2ccccc2Br)[C@H]1c1ccccc1 20734618 CTWAIDRIMYTYKZ-KBXCAEBGSA-N 387.277 3.997 0 40 GHAB O=C(NCC1(c2ccccc2)CC1)c1ccccc1I 11749992 GLNVJIXEQBIHHV-UHFFFAOYSA-N 377.225 3.753 0 40 GHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)c(C)cc2C)C1=O 2625661 NAEWFCTZFRWJJO-JOCHJYFZSA-N 382.435 3.791 0 40 GHAB CC(=O)c1cccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)c1 886777 WUSGXUBAWGNOOR-YCRPNKLZSA-N 396.516 3.980 0 40 GHAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)cc1 1378487 WPEFRXDTJUANAO-IBGZPJMESA-N 398.532 3.641 0 40 GHAB O=C1C[C@H](Nc2ccccc2Br)C(=O)N1c1ccc(Cl)cc1 1510848 QCFGPFHOAPRGAF-AWEZNQCLSA-N 379.641 3.847 0 40 GHAB CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C1C[C@H]2CC[C@H](C1)N2C 2024836 UOCBXPLPHJNAKG-IAGOWNOFSA-N 390.524 3.580 0 40 GHAB CCOc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2ccc(C)cc2)cc1 41157142 YYGOHFKZPFDZNP-IBGZPJMESA-N 386.517 3.884 0 40 GHAB COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC 4077193 DOYDIEWICLNTSA-UHFFFAOYSA-N 384.388 3.628 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc[nH]2)cs1)c1ccc(Cl)cc1 32879956 CVBOUCSVBITUCH-OAHLLOKOSA-N 388.880 3.998 0 40 GHAB O=C(c1ccccc1)N1CC(=O)N(OCc2ccccc2)[C@@H]1c1cccs1 4536076 AFNIYLUZGOLGGU-HXUWFJFHSA-N 378.453 3.863 0 40 GHAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 4885020 UZJIUMXRRMFMPZ-UHFFFAOYSA-N 386.517 3.911 0 40 GHAB COc1ccc(-c2cc3nc4c(c(NCCCn5ccnc5)n3n2)CCC4)cc1 4902480 YVSADOBJPLKOJU-UHFFFAOYSA-N 388.475 3.592 0 40 GHAB CCOc1ccccc1OCCCC(=O)Nc1cc2c(cc1C(C)=O)OCO2 6260387 QZSONAXBKWQUGY-UHFFFAOYSA-N 385.416 3.814 0 40 GHAB CCOc1cc([C@@H]2CC(=O)Nc3ncnn32)ccc1OCc1ccccc1Cl 6351102 MKGUPPFUUHLZPC-INIZCTEOSA-N 398.850 3.841 0 40 GHAB Cc1ccc2nc(S[C@@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1 6975472 XWQWJNRMPQZLAA-LBPRGKRZSA-N 389.502 3.606 0 40 GHAB CCCN(Cc1ccccc1)C(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1 32906554 MIBIIQRRTUZFAR-SDNWHVSQSA-N 398.528 3.679 0 40 GHAB CCc1ccc(N2C(=O)N(c3ccccc3Cl)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 8064216 LALCCKZGOYVADT-QZTJIDSGSA-N 390.892 3.515 0 40 GHAB Cc1nc(SCC(=O)N2c3ccccc3C[C@@H]2C)n(C[C@@H]2CCCO2)c1C 22091952 BKXHUDHZEGBKED-KSSFIOAISA-N 385.533 3.749 0 40 GHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1ccccc1 8181782 ZFKSPIRJMFXDBK-SJORKVTESA-N 386.517 3.741 0 40 GHAB CCc1cc(Br)ccc1NC(=O)CS(=O)(=O)c1ccc(C)cc1 8475383 NYGMNSBYFWYOEG-UHFFFAOYSA-N 396.306 3.732 0 40 GHAB CCCCc1nn2c(=O)cc(COC(=O)c3cccc(Cl)c3)nc2s1 8605658 FDRUKXBTOKZJLF-UHFFFAOYSA-N 377.853 3.504 0 40 GHAB O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1ccccc1F 678949 VIMSDDYOHIKWLS-UHFFFAOYSA-N 389.196 3.993 0 40 GHAB CCOc1ccc2nc(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)sc2c1 694671 NNYIRDJOXSCVJS-KRWDZBQOSA-N 386.429 3.993 0 40 GHAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)cc2)cc1 643228 ZYZKVFFOQFVQKQ-UHFFFAOYSA-N 390.505 3.758 0 40 GHAB c1ccc(-n2nnnc2CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 23937011 DSYOBWFCBITEJB-OAHLLOKOSA-N 376.489 3.652 0 40 GHAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@H]1COc2ccc(Cl)cc2C1 24217530 YMPZBSVAHBCUIO-CQSZACIVSA-N 385.876 3.972 0 40 GHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12328604 QOMJGZQOGVCUGA-HKUYNNGSSA-N 397.494 3.696 0 40 GHAB COc1ccccc1N1CCN(C(=O)CCn2ccc3ccc(F)cc32)CC1 12322517 VQXUWVUZXVKDHY-UHFFFAOYSA-N 381.451 3.528 0 40 GHAB COC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(F)cc1 113884191 UXXSICZTYBUCAT-UHFFFAOYSA-N 392.235 3.501 0 40 GHAB COC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2F)c(Br)c1 24841959 OGDZUJUGYOKFAB-SNVBAGLBSA-N 396.212 3.781 0 40 GHAB Cc1cnc(C(=O)NCCCCOc2ccc(OCc3ccccc3)cc2)cn1 24832039 MXZBIDSBDGWLLK-UHFFFAOYSA-N 391.471 3.953 0 40 GHAB COc1ccc2c(c1)CCCN2C(=O)COc1ccc(F)cc1Br 24875277 WJSFKPBYDJVCTN-UHFFFAOYSA-N 394.240 3.955 0 40 GHAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CCc2ccccc21 1367971 OBOAOCGLWNWTKQ-UHFFFAOYSA-N 397.525 3.545 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)o1 25043346 USYZHZACONHPFZ-HROPXGJHSA-N 399.512 3.632 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCC[C@@H]1C1CCCC1 56034191 JROXQTUQNNGCSG-CQSZACIVSA-N 376.806 3.702 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)cc1 26120934 VOOWTNHNBSIBEA-UHFFFAOYSA-N 392.503 3.885 0 40 GHAB COc1cc2c(cc1NC(=O)CSc1cccc[n+]1[O-])oc1ccccc12 3298087 QTMTZRCYKWCNGW-UHFFFAOYSA-N 380.425 3.959 0 40 GHAB O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 55642377 YYJQHYZPYPNQOC-UHFFFAOYSA-N 378.881 3.813 0 40 GHAB CCCn1c(SCC(=O)N(C)c2cccc(C)c2)nc2ccsc2c1=O 57425282 RIZSGSOJQQAFAM-UHFFFAOYSA-N 387.530 3.932 0 40 GHAB CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3ccccc3)cc2oc1=O 2129672 DPYDGUSNGHWZMV-UHFFFAOYSA-N 394.423 3.859 0 40 GHAB biogenic COc1ccc([C@H](CNC(=O)c2ccc3[nH]cnc3c2)N2CCCCC2)cc1 12603140 RILYDGJDVWDLBZ-NRFANRHFSA-N 378.476 3.529 0 40 GHAB C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccc(-c2ccccc2)cc1 28036543 HOUCLZBBVFOQBV-ZDUSSCGKSA-N 375.881 3.780 0 40 GHAB C[C@@]1(c2ccccc2Br)NC(=O)N(Cc2ccccc2F)C1=O 3346748 LSWNWVQZHHDXFY-KRWDZBQOSA-N 377.213 3.555 0 40 GHAB O=C(NCc1coc(-c2cccs2)n1)N1CCO[C@@H](c2ccc(F)cc2)C1 45345530 MXUQBQZUTQNBGI-MRXNPFEDSA-N 387.436 3.825 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2ccc(OC(C)C)cc2)cc1Cl 3330565 ZBTUTSXDCJUIAY-UHFFFAOYSA-N 377.824 3.931 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(F)cc4s3)CC2=O)cc1 12786475 YWFKRQHEJSBLKK-CYBMUJFWSA-N 383.448 3.989 0 40 GHAB O=C1CCC(=O)N1Cc1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1 48375037 FVVSFJIEDZPCGO-OAQYLSRUSA-N 390.483 3.573 0 40 GHAB O=C(c1ccc(-n2cc(Br)cn2)cc1)N(Cc1ccncc1)C1CC1 48332481 BQPOXHVHMQLZDP-UHFFFAOYSA-N 397.276 3.835 0 40 GHAB COC(=O)c1ccoc1COC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 48331889 YHTGHFXPRZONAO-UHFFFAOYSA-N 389.404 3.699 0 40 GHAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)c1 12932975 PHHBCSXAJCOZFJ-HXUWFJFHSA-N 388.533 3.845 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)Cn1c(S)nnc1-c1cccs1 12938385 CNOYPIMPUXKNGR-UHFFFAOYSA-N 396.900 3.746 0 40 GHAB CCOc1cc(CNCc2cc(OC)c3c(c2)OCO3)ccc1OC(F)F 48745766 NFPRWOOHLAQGRS-UHFFFAOYSA-N 381.375 3.714 0 40 GHAB CCOC(=O)CCN(Cc1cccnc1)C(=O)c1ccc(OC(F)(F)F)cc1 64360977 MTGXWVUFVUFTTM-UHFFFAOYSA-N 396.365 3.576 0 40 GHAB CC(=O)c1cn(CC(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)c2ccccc12 39768175 UXQFDKRHVLAQDF-OAHLLOKOSA-N 392.455 3.883 0 40 GHAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(OCc2ccccc2)cc1 28464409 DMFCDJXMMSBHLH-HXUWFJFHSA-N 396.512 3.964 0 40 GHAB COc1ccc(NC(=O)CSc2nc(C)c(C)n2CC(C)C)c(OC)c1 5262855 SBBHDHNKSWGVBG-UHFFFAOYSA-N 377.510 3.904 0 40 GHAB CNC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)ccc3o2)sc2c1CCCC2 5346441 BPBHQUBLGYCISG-UHFFFAOYSA-N 396.468 3.654 0 40 GHAB CC1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CC1 14186498 LJYSNDWWJGNTND-UHFFFAOYSA-N 378.538 3.512 0 40 GHAB Cc1ccc([C@@](O)(CC(=O)NCCSCc2ccccc2)C(F)(F)F)o1 14241798 JOKXWKYUUPPGKG-KRWDZBQOSA-N 387.423 3.778 0 40 GHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)c2ccc(C)c(C)c2)cc1 6586013 RLLSAEJOTKKXPV-AZUAARDMSA-N 394.500 3.854 0 40 GHAB Cn1nc(-c2cccs2)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 4630032 JHGKABQEZCTIAY-UHFFFAOYSA-N 386.908 3.764 0 40 GHAB COC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 6610274 LRIBQEGKUISQOA-UHFFFAOYSA-N 394.374 3.670 0 40 GHAB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1C 4816304 TWXRZGDSIBNJNF-HNNXBMFYSA-N 394.500 3.637 0 40 GHAB COc1ccc2cc(-c3nc(-c4cccc(OC)c4OC)no3)c(=O)oc2c1 6868050 YVJBPUOZYHLPKY-UHFFFAOYSA-N 380.356 3.536 0 40 GHAB COc1ccc(CCN(C)C[C@@H](O)COc2c(C)ccc(C)c2C)cc1OC 6940159 IDMYKBZPXFQCOW-HXUWFJFHSA-N 387.520 3.543 0 40 GHAB Brc1ccc(-c2ccc(CN3CCN(c4ncccn4)CC3)o2)cc1 9049589 SAJJXXOWLRWACN-UHFFFAOYSA-N 399.292 3.821 0 40 GHAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1Br 7419907 DEDVOOUTLKEGNY-CYBMUJFWSA-N 377.282 3.917 0 40 GHAB Cc1ccc(N2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)c(C)c1 71279465 ILWKWXBOJBUXLP-UHFFFAOYSA-N 378.516 3.700 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Br)cc1 7706146 QYSIVDOPCHWOFS-ZDUSSCGKSA-N 385.265 3.863 0 40 GHAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 7878821 RXJBKWILEPVPJK-HNNXBMFYSA-N 397.544 3.978 0 40 GHAB C[C@@H](NC(=O)COc1cccc2c1OC(C)(C)C2)c1ccc(-n2ccnc2)cc1 8013795 PPGVTRYVYAJZJQ-MRXNPFEDSA-N 391.471 3.842 0 40 GHAB COc1ccc(NC(=O)Cc2cc(OC)c(OC)cc2Br)cc1 8060462 YCARNMMFNGAXPT-UHFFFAOYSA-N 380.238 3.656 0 40 GHAB O=C(NCc1cccc(NC(=O)C2CCC2)c1)N[C@@H]1CCOc2ccc(F)cc21 69062678 BKGOOLQWWBCNRZ-LJQANCHMSA-N 397.450 3.887 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2ccc(Br)cc2)c1 8355185 LZTZUXWMPAPAEA-LBPRGKRZSA-N 378.266 3.886 0 40 GHAB C[C@H](Sc1nnnn1C1CC1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 8391603 TWPZNQMNTCFFDG-IUCAKERBSA-N 386.308 3.673 0 40 GHAB COc1c(C)cnc(CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)c1C 71907303 WSAHUYAFPMVZDT-HSZRJFAPSA-N 389.455 3.827 0 40 GHAB COc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)c(Cl)c1 28184030 NXXWHCPVBVMRAE-UHFFFAOYSA-N 378.881 3.967 0 40 GHAB COCc1ccccc1CNc1c(F)cc([N+](=O)[O-])c(N)c1Br 78903762 ZXUWJZDVJSVQHW-UHFFFAOYSA-N 384.205 3.837 0 40 GHAB CC[C@H]1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)C1 79070427 NXWLCOFULWHPHT-KRWDZBQOSA-N 386.517 3.692 0 40 GHAB COc1ccc(CN2C[C@@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)cc1 306132389 LHIMZLGTCFCALH-KNQAVFIVSA-N 395.480 3.711 0 40 GHAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C(C)C)cc3)C2=O)c1 409086197 GJUXLCXGKKJARI-XDHOZWIPSA-N 377.444 3.650 0 40 GHAB COc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1 408953107 WVKBBKBRZOUZPS-UHFFFAOYSA-N 378.428 3.873 0 40 GHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)C1 39759944 ZXUNPLOGHDPGLQ-RTBURBONSA-N 389.559 3.522 0 40 GHAB O=C(CSc1ccc(-c2ccc3c(c2)OCCO3)nn1)Nc1ccccc1F 35315418 CAPSYRGMJQDIQZ-UHFFFAOYSA-N 397.431 3.785 0 40 GHAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCc1ccc2c(c1)OCO2 219461629 XUODIPMSNGDZIR-UHFFFAOYSA-N 388.423 3.625 0 40 GHAB Cc1nc2c(-c3cccs3)c(C)nn2c(NCCCN2CCOCC2)c1C 72341723 QACWLJGUSGAXHR-UHFFFAOYSA-N 385.537 3.517 0 40 GHAB Cc1cc(N2C[C@@H](C(=O)N(C)c3ccc(F)c(Cl)c3)CC2=O)ccc1F 1537245524 AQTKZXHTQXXDOM-LBPRGKRZSA-N 378.806 3.943 0 40 GHAB Cn1cc(/C=C/C(=O)Nc2cc(Br)ccc2Br)cn1 31950526 OHTAUOJKXIVBBP-GORDUTHDSA-N 385.059 3.597 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)Cc3cc(C)ccc3C)n2)c(OC)c1 219278033 CXOYQSVOHZFLBJ-UHFFFAOYSA-N 395.459 3.572 0 40 GHAB COc1ccc(NC(=O)CSc2nccc3c(OC)cccc23)c(OC)c1 36708182 UOKIYVXPLCRGIC-UHFFFAOYSA-N 384.457 3.991 0 40 GHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)NCc2coc(-c3cccs3)n2)c1 32870468 LPWKBJMCJNAXHI-UHFFFAOYSA-N 398.488 3.800 0 40 GHAB Cc1ccc2nc(NC(=O)CN3CCN(c4ccccc4F)CC3)sc2c1 36003615 JIUZPWXPIQOMDH-UHFFFAOYSA-N 384.480 3.505 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc3ccc(-c4ccccn4)nn23)cc1C 38786157 XHWSXJSSEGLVNE-UHFFFAOYSA-N 390.472 3.534 0 40 GHAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@@H](c2ccsc2)C1 670890601 UHEMUSDADFZQFX-LLVKDONJSA-N 377.409 3.825 0 40 GHAB CCn1ncc(NC(=O)c2sc([C@@H](C)Cn3cc(Cl)cn3)nc2C)c1C 36613993 SUNQPNNXGGDYST-JTQLQIEISA-N 392.916 3.882 0 40 GHAB CCOC(=O)c1s/c(=N\C(=O)c2cc(C(C)C)nn2-c2ccccc2)[nH]c1C 71284614 XDJJNEDHONXFCI-UHFFFAOYSA-N 398.488 3.612 0 40 GHAB CC[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccccc1C 224393700 BRSGXJFMOWZQFO-HXUWFJFHSA-N 386.517 3.806 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c(OC)c1OC 222842231 QIMOOCALSWVTTG-OAHLLOKOSA-N 399.487 3.675 0 40 GHAB COc1ccccc1-c1c2c(=O)n(C3CCCCC3)ccc2nc2nc(C)nn12 40398429 SXHDIAAXJSHCRS-UHFFFAOYSA-N 389.459 3.928 0 40 GHAB CCCCNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225986443 ITAULDBTIFKCJJ-UHFFFAOYSA-N 394.924 3.624 0 40 GHAB O=C(NCc1cccc(CN2CCOCC2)c1)C1(c2ccccc2)CCCC1 194608108 RARNTNLVIJRETQ-UHFFFAOYSA-N 378.516 3.647 0 40 GHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C(C)C 223263806 QGIFHVCJTHMERA-VQTJNVASSA-N 385.581 3.615 0 40 GHAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1)c1ccc(S(C)(=O)=O)cc1 222868434 PILNQPAALUVJMB-RBUKOAKNSA-N 375.490 3.515 0 40 GHAB CCN1CCN(c2ccc(N)cc2NC(=O)c2cc(Cl)ccc2Cl)CC1 226259317 ZQYYVOLLHGRXCV-UHFFFAOYSA-N 393.318 3.970 0 40 GHAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCCc1ccc(OC)cc1 222753268 KFCLXCMLNPTUHY-SFHVURJKSA-N 382.504 3.571 0 40 GHAB COC(=O)c1ccc([C@@H]2CC(=O)c3cc(OC)c(OC)cc3-n3cccc32)cc1 225380459 NNRFLNYDLVJWCX-INIZCTEOSA-N 391.423 3.999 0 40 GHAB O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(Cl)cc1 224286984 JHKYIIGRUBYALI-UHFFFAOYSA-N 379.800 3.862 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCN2CCCCCC2)c1 225400645 GOPHAMYCJJAWDI-UHFFFAOYSA-N 377.554 3.724 0 40 GHAB CN(C)CCCn1cnc2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc21 95480246 AOORBOBOZNRMHG-UHFFFAOYSA-N 375.476 3.651 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)Oc2ccccc21 96053332 ZYPPNEOJOLEAMD-KRWDZBQOSA-N 396.487 3.735 0 40 GHAB COc1ccc2nc(C[C@H]3CN(Cc4ccccc4)CC[C@H]3CC(=O)O)[nH]c2c1 514289335 QNIHRFCGWJMIEC-ROUUACIJSA-N 393.487 3.727 0 40 GHAB biogenic,in-vitro CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2ccccc2F)CCO1 96117615 IEVNHGLIIHHBHO-BZNIZROVSA-N 391.468 3.633 0 40 GHAB Cn1cnc2c(-c3cccnc3)nc(C3CCN(Cc4cccnc4)CC3)cc21 96099951 KPNGFQSJYNJYAH-UHFFFAOYSA-N 384.487 3.805 0 40 GHAB C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4ncccc4Cl)CC3)cc2NC1=O 528419339 ZFEVBCOKDXCCAO-ZDUSSCGKSA-N 399.878 3.549 0 40 GHAB C[C@H]1CN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C[C@@H](C)C1(F)F 585123191 LRKMHFABAGXIAL-CALCHBBNSA-N 395.494 3.594 0 40 GHAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2C(=O)C2CCCC2)c1 257272052 NAXBKPQHUWQRQL-JTAQYXEDSA-N 384.520 3.976 0 40 GHAB Cc1cncc([C@@H]2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)C2)n1 257243161 IFRHRCCFFNLAFJ-QGZVFWFLSA-N 399.922 3.893 0 40 GHAB Cc1noc(C)c1-c1nc([C@@H]2CCCN(Cc3ncccc3F)C2)ccc1CO 257297010 RFJNBBLPOACTDA-MRXNPFEDSA-N 396.466 3.759 0 40 GHAB CON(C[C@@H]1CCCc2ccccc21)C(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 1156009584 VCERTFZZEXBPKG-HIFRSBDPSA-N 381.398 3.973 0 40 GHAB Cc1ccnc(Nc2cc(NCCNC(=O)Nc3ccccc3F)nc(C)n2)c1 90608015 JXGBGUALSBDJRY-UHFFFAOYSA-N 395.442 3.605 0 40 GHAB CCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cccs1)C2 585106633 DCPJHQIBUPWWJI-NRFANRHFSA-N 378.501 3.905 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccccc1C(C)C 5578901 KJJDIJZWABMZEZ-UHFFFAOYSA-N 387.432 3.631 0 40 GHAB CC(C)c1ccccc1OCC(=O)Nc1nc2c(s1)CCc1c-2cnn1C 12220495 QAPFWKYFHXVQEY-UHFFFAOYSA-N 382.489 3.783 0 40 GHAB O=C(c1cc2ccccc2o1)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 12406849 VQXOZCJLLMERNE-CYBMUJFWSA-N 397.385 3.828 0 40 GHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1CCC[C@H](C)C1 12780915 GJLFKXOLVIQNTO-LBPRGKRZSA-N 393.409 3.949 0 40 GHAB CC[C@H](C(=O)Nc1cccc(SC)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715562 KYZVZWUOFDSQNN-QGZVFWFLSA-N 396.509 3.731 0 40 GHAB CCN(Cc1cncn1C)c1cccc(OCCOc2ccccc2OC)c1 14000301 FRSIASLQNJGQMB-UHFFFAOYSA-N 381.476 3.913 0 40 GHAB CCc1ccccc1-n1ncc2c1NC(=O)C[C@@H]2c1ccc(OC)cc1OC 14000901 MNBNZTFLFDSKLF-QGZVFWFLSA-N 377.444 3.926 0 40 GHAB COc1cccc(Cn2nc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2C)c1 14234287 XOXCVJZQPDNUQL-UHFFFAOYSA-N 385.489 3.666 0 40 GHAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(S(N)(=O)=O)cc3)ccc21 15595207 MFDRIKBKCJVENI-UHFFFAOYSA-N 393.468 3.714 0 40 GHAB COc1ccccc1C(=O)N1CCCC[C@H]1c1nn(C)cc1-c1cc(C)no1 19121417 ZMUXSQXRVQUOFS-KRWDZBQOSA-N 380.448 3.760 0 40 GHAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)c3ccccn3)CC2)C1 19712750 YVJHVKVIIHSTCG-FPOVZHCZSA-N 379.504 3.586 0 40 GHAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220699177 SVFRGRPHFQPFKW-UIBIWLFHSA-N 381.451 3.869 0 40 GHAB Cc1ccc(C(=O)O)cc1N1C(=O)C[C@@H](Nc2ccc(Cl)cc2Cl)C1=O 16901180 OBKLFIFFSCIARE-CQSZACIVSA-N 393.226 3.744 0 40 GHAB COc1ccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(OC)cc2)CN3C(C)=O)cc1 19019422 KOJIZLBUYGNURZ-WXFUMESZSA-N 394.515 3.540 0 40 GHAB O=C(CCc1ccccc1)N[C@@H]1CCC12CCN(C(=O)C1CC(F)(F)C1)CC2 1614937201 KFJNJYYSZBMRQN-GOSISDBHSA-N 390.474 3.552 0 40 GHAB COc1ccc2oc(=O)c(C(=O)NCCc3c(C)[nH]c4ccc(C)cc34)cc2c1 720852 MJTUYGZBAOLHLI-UHFFFAOYSA-N 390.439 3.872 0 40 GHAB CNC(=O)c1c(NC(=O)c2ccc(OC)cc2OC)sc2c1CCCCC2 4326503 CYDPZERIBVVWGM-UHFFFAOYSA-N 388.489 3.646 0 40 GHAB Cc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3)s2)cc1 4392748 HCDQAMDJYJMAJV-UHFFFAOYSA-N 379.485 3.724 0 40 GHAB CCOC(=O)C(=O)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 5106897 DSVCURHKVOPMGP-UHFFFAOYSA-N 386.791 3.840 0 40 GHAB COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccnc2)c(OC)c1 5256457 MNIBZRWOWGOJQQ-FQEVSTJZSA-N 378.432 3.537 0 40 GHAB CN1CCN([C@@H](CNC(=O)Nc2cccc(Cl)c2)c2ccsc2)CC1 22765471 BIZBXWULABNJFH-KRWDZBQOSA-N 378.929 3.512 0 40 GHAB O=S1(=O)N(Cc2ccc(Br)cc2)c2ccccc2N1C1CC1 585147775 AKBSROCWGGZBDA-UHFFFAOYSA-N 379.279 3.683 0 40 GHAB Cc1cc(C)cc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)c1 4329735 ANOHYIVGSQQQFV-UHFFFAOYSA-N 394.454 3.951 0 40 GHAB Cc1cccc(Cn2nccc2NC(=O)CCc2nc(-c3cccs3)no2)c1 30527006 OSFOLGSYGUYWCO-UHFFFAOYSA-N 393.472 3.923 0 40 GHAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NCc1ccc(Cn2cccn2)cc1 10406305 OYTRYDZTJAWYQR-UHFFFAOYSA-N 394.500 3.580 0 40 GHAB CC[C@H]1c2ccsc2CCN1C[C@@H](O)COc1ccc(C(C)=O)cc1OC 30224114 WKIHARWFHLFMAR-AEFFLSMTSA-N 389.517 3.708 0 40 GHAB CCSc1nsc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)n1 32593827 IILPYLMCYRZRGL-UHFFFAOYSA-N 381.866 3.971 0 40 GHAB CCc1ccc(OCc2nnc(SCC(=O)NC3CCCCC3)o2)cc1 876474 KUPUTWYNOFRRLF-UHFFFAOYSA-N 375.494 3.752 0 40 GHAB COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCC(C)C)c3N2)c1 884286 SAYQUWDKUXMVQM-CVEARBPZSA-N 396.413 3.938 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCC[C@H]1c1cccs1 8040183 HQDMFONBAZGCLP-LBPRGKRZSA-N 390.814 3.946 0 40 GHAB Cc1ccc(CNC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc1 1368698 CUJDJFPAIBYNMQ-UHFFFAOYSA-N 392.528 3.953 0 40 GHAB CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CNC(=O)c1ccsc1 1532369 NPGABYHTDVGGJK-INIZCTEOSA-N 393.487 3.973 0 40 GHAB in-man CCN(CC)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 2064894 PXVVNFIDBHBVEJ-UHFFFAOYSA-N 388.533 3.676 0 40 GHAB CCOC(=O)c1c(NC(=O)CN2c3ccccc3C[C@@H]2C)sc2c1CCC2 2649384 XGXNGELZHKKMKG-ZDUSSCGKSA-N 384.501 3.803 0 40 GHAB Cc1ccc([C@@H](CNC(=O)CCCc2c[nH]c3ccccc23)N2CCOCC2)o1 32842180 AZXPEBORAHNGGE-OAQYLSRUSA-N 395.503 3.582 0 40 GHAB CSc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 4884717 LVPYDMAJDPVRHR-UHFFFAOYSA-N 388.514 3.508 0 40 GHAB COc1ccc(Cl)cc1CS(=O)(=O)CC(=O)N(c1ccccc1)C(C)C 32929854 YWPAMOCVQSSDBI-UHFFFAOYSA-N 395.908 3.705 0 40 GHAB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 873311 QMOUBAJUCQQEEL-UHFFFAOYSA-N 379.504 3.905 0 40 GHAB CC(C)NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3 809362 YAOGYAYDKMECJV-UHFFFAOYSA-N 386.546 3.733 0 40 GHAB COc1ccccc1CNc1nc(-c2cc(C)n(-c3ncn[nH]3)c2C)cs1 8156066 RTOYQRSFIDBQHU-UHFFFAOYSA-N 380.477 3.956 0 40 GHAB CCCCOc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3cc(C)ccc32)cc1OC 103215564 IXDZVQGIEAYLGD-QFIPXVFZSA-N 396.487 3.907 0 40 GHAB COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1Br 983916 ZNFMHGZLFKFHBO-XNTDXEJSSA-N 387.233 3.551 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)N3CCN(Cc4ccncc4)CC3)ccc2c1 23846588 LMIYKHCAVULSCR-SFHVURJKSA-N 389.499 3.691 0 40 GHAB CCC(CC)(CNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)N(C)C 58163325 WCEAFLVMGPOGOY-HZPDHXFCSA-N 394.535 3.681 0 40 GHAB CCCCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 22987973 WBBRXCQQOBLIPE-FQEVSTJZSA-N 382.435 3.991 0 40 GHAB CCn1cc(C(=O)N[C@H](C)c2ccc(OC)cc2)c(=O)c2cc(OC)ccc21 22236055 RYEMFGAUCZRXNA-CQSZACIVSA-N 380.444 3.530 0 40 GHAB COc1ccccc1[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1nccn1C 25053174 SNQDTMNECPOBFA-KUHUBIRLSA-N 399.878 3.755 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(C)c3nc4ccccc4nc32)c1 25090063 SRSSYCZLGBDDIV-UHFFFAOYSA-N 390.487 3.923 0 40 GHAB CC(=O)c1ccc(N2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)cc1 57449703 HNOWTKKUVARTFA-UHFFFAOYSA-N 386.879 3.731 0 40 GHAB Cc1cc2ccccc2n1CC(=O)OCc1ccc(C(=O)N2CCCC2)cc1 25191096 FDKCSEYHMORBSH-UHFFFAOYSA-N 376.456 3.929 0 40 GHAB COc1ccc2c(C)c(CCC(=O)Nc3nc4c(s3)CCC4)c(=O)oc2c1 25769249 XJGBOPZFLVMEBJ-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 107348515 LWJGAWYYACFCMU-TXDAXLQXSA-N 375.534 3.957 0 40 GHAB CCc1nc2ccccc2n1C[C@H](O)COc1cccc(Br)c1 12602782 DVYBYHYYQGYDEW-AWEZNQCLSA-N 375.266 3.801 0 40 GHAB C[C@H]1c2cccn2CCN1C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 44356175 YLNROXDQWUUOHT-HNNXBMFYSA-N 387.505 3.813 0 40 GHAB CC(=O)c1ccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)cc2=O)cc1 57526910 NEWFLEXAXQCCLI-UHFFFAOYSA-N 395.846 3.713 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2ccc3ccccc3c2)cc1 1858140 IXKRAUDKOSNZJJ-UHFFFAOYSA-N 396.464 3.738 0 40 GHAB COc1ccccc1CCN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 35931849 IRNRORGARKHMAG-UHFFFAOYSA-N 391.496 3.573 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C)CC(C)(C)c1ccccc1 58181942 GSRMSLAJKHJJCV-OAHLLOKOSA-N 379.508 3.546 0 40 GHAB CC(C)(C)c1nc(CS(=O)(=O)CC(=O)c2c[nH]c3ccccc23)cs1 58439333 QEZFOLXGYNCXQH-UHFFFAOYSA-N 376.503 3.720 0 40 GHAB O=C(CCCCC(=O)c1ccccc1)NCc1ccc(Cn2ccnc2)cc1 48347673 HVLOVPGCQDSRDI-UHFFFAOYSA-N 375.472 3.991 0 40 GHAB COc1ccc(C2=CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 36397324 LJGULYJJJFJIBN-UHFFFAOYSA-N 376.456 3.752 0 40 GHAB Cc1c(Cl)cccc1Nc1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)s1 12809345 CEGQHAFLCSDMOE-LLVKDONJSA-N 399.929 3.555 0 40 GHAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1F 12935504 QLROTVCVZKJNGV-ZFWWWQNUSA-N 390.480 3.625 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12912565 WBMDBRHFSAUMSS-HZPDHXFCSA-N 386.879 3.985 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)CNC(=O)N[C@@H]1CCCC[C@H]1C 12930199 BISRAKINAKYAGJ-GDBMZVCRSA-N 375.513 3.809 0 40 GHAB COc1ccc([C@H]2[C@@H](C(=O)Nc3ccccn3)c3ccccc3C(=O)N2C)cc1 3657658 AXOLPJNJXJQFIO-SFTDATJTSA-N 387.439 3.639 0 40 GHAB Cc1nc2ccc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2nc1C 8366805 MWRMAYKLNWMSGZ-FQEVSTJZSA-N 389.455 3.995 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCCC(C)C 13002933 AZNQEPYUOYHJLH-UHFFFAOYSA-N 378.469 3.711 0 40 GHAB O=C(NCc1ccco1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 5002203 CQNYPNKBRVFWQM-HXUWFJFHSA-N 382.441 3.577 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2O)nnc1[C@H](C)Oc1ccccc1 13956015 YZDBXSYCOBTGRN-AWEZNQCLSA-N 398.488 3.874 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)CSc2ncnc3ccsc23)c1 14085919 SPAKLQIPXIGXSH-NSHDSACASA-N 389.502 3.678 0 40 GHAB CN(Cc1nnc2n1CCCCC2)C(=O)/C=C/c1cc(Cl)cc(Cl)c1 65552637 BZBBSQLEHKBPEU-VOTSOKGWSA-N 379.291 3.983 0 40 GHAB COc1ccc(-c2nc3c(s2)CN(C(=O)COc2ccccc2)CC3)cc1 6719746 OYWHXHYHXVHSNM-UHFFFAOYSA-N 380.469 3.782 0 40 GHAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 15040749 BSZIVYJPTNXVLU-LPQFERQCSA-N 398.484 3.509 0 40 GHAB CSc1nc2ccc(NC(=O)c3nn(C)c(=O)c4ccccc34)cc2s1 6946635 HDTFTERRJAOFAF-UHFFFAOYSA-N 382.470 3.517 0 40 GHAB Cc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c2c1 5932049 VKJCQOMTRBPLMG-OAHLLOKOSA-N 396.516 3.827 0 40 GHAB CCOc1ccc(-n2c(=O)c3sccc3n(Cc3ccccc3F)c2=O)cc1 67260252 UZTKYPBEVJHVTL-UHFFFAOYSA-N 396.443 3.800 0 40 GHAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 7006804 SVGZIZOUFRUJAQ-SNVBAGLBSA-N 378.803 3.926 0 40 GHAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccccc1Nc1ccccc1 8720389 MXYYSKGNZXUTAX-UHFFFAOYSA-N 388.471 3.592 0 40 GHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 8716534 RCQHMEUZNZHXAN-CYBMUJFWSA-N 384.457 3.532 0 40 GHAB COc1ccccc1C(=O)Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 18203653 MXOHBYVLFGGLKK-IAGOWNOFSA-N 379.412 3.594 0 40 GHAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060456 JVQRLEQLBJNGSV-SNVBAGLBSA-N 391.262 3.515 0 40 GHAB CCCN(CC)c1ccc(C(=O)OCc2nccn2Cc2ccccc2)cn1 97000654 VPFARFFWVLWABQ-UHFFFAOYSA-N 378.476 3.920 0 40 GHAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9884610 HUZZOACGYJDANR-HXUWFJFHSA-N 379.456 3.689 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)NC(C)C 408701465 YJRLHWGLGLVTPR-UHFFFAOYSA-N 396.896 3.678 0 40 GHAB CC(C)OC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n1C 408672093 ZIRNIPHIUOTWDN-UHFFFAOYSA-N 383.473 3.869 0 40 GHAB CCCCNC(=O)C1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 26983532 RSXVFILMGJOPMP-UHFFFAOYSA-N 392.499 3.686 0 40 GHAB COc1ccccc1-c1cnc2n1C[C@]1(CCN(Cc3scnc3C)C1)C2 306124388 BOFBTERMWXMKJC-OAQYLSRUSA-N 380.517 3.772 0 40 GHAB COCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccccc3OC)cc12 2203041 AGEWIIXABJUEBI-UHFFFAOYSA-N 397.427 3.518 0 40 GHAB biogenic CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCC[C@H](C)C3)c(O)n2n1 36104752 SFPWLMHEFAJCJB-GUYCJALGSA-N 386.521 3.889 0 40 GHAB CCCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1 32996161 UWOZITOJASJEQZ-UWJYYQICSA-N 392.565 3.806 0 40 GHAB Cc1c(C(=O)Nc2cccnc2Cl)nnn1-c1cccc(Br)c1 123153832 QXDNQTHIFPTXCB-UHFFFAOYSA-N 392.644 3.639 0 40 GHAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccc(C)cc1 223461563 MFUYYEPPIZTJFF-NRFANRHFSA-N 398.572 3.824 0 40 GHAB COc1ccccc1[C@@H](C)NS(=O)(=O)Cc1ccc(Br)cc1 224411382 QXZWFXNRQJTHBA-GFCCVEGCSA-N 384.295 3.638 0 40 GHAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc4ccccc4c3)ccc21 225864023 OVYXCPPQHGRPPQ-UHFFFAOYSA-N 392.480 3.940 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccnc2)c1C 222774287 OWTNSQSFMMJTMI-PMACEKPBSA-N 377.517 3.877 0 40 GHAB Cc1nnc(NC(=O)CN(C)c2nc3c(C(F)(F)F)cccc3s2)s1 77196821 QSJGIARUZBTWLS-UHFFFAOYSA-N 387.412 3.550 0 40 GHAB Cc1cccc(C)c1NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225950568 JKPJIFDIOYWNHM-MRXNPFEDSA-N 380.897 3.576 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NCCSCc1cccc(C)c1 224830392 DEKALKHGGBIPGJ-UHFFFAOYSA-N 385.938 3.869 0 40 GHAB O=S(=O)(NC[C@@H](O)c1csc2ccccc12)c1ccc(F)c(Cl)c1 225696029 QNBLOCIFINDXRN-OAHLLOKOSA-N 385.869 3.706 0 40 GHAB COc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NC2CCCCCC2)n1 226009639 NJZKPXCXXWPUMV-CQSZACIVSA-N 377.558 3.731 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)c1 220125031 UTYVIJTYCSPYLZ-CQSZACIVSA-N 380.897 3.750 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 223061051 RQBIXTFYWHCUBK-HXUWFJFHSA-N 384.545 3.949 0 40 GHAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1cccc(C(F)(F)F)c1 77099699 HVKWTBBCTGQCNN-UHFFFAOYSA-N 380.366 3.581 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 223011017 VUGDUVYYKFHQBC-FQEVSTJZSA-N 382.504 3.544 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 222622191 FBJFRBODBYQBRW-MRXNPFEDSA-N 388.508 3.612 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2CN(CCCc3ccccc3)C[C@@H]2C1 96080946 JTHNRDBHUACLLY-OYRHEFFESA-N 382.935 3.906 0 40 GHAB CC1(C)OC[C@@H]2C[C@]21NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 528984956 ZETFYJBJRUUYNY-ZTQUAGCESA-N 398.528 3.825 0 40 GHAB CC(C)NC(=O)N1CCC2(CC1)CC(=O)N(c1cccnc1)c1ccccc12 96080233 VZDVVADPOSWTAR-UHFFFAOYSA-N 378.476 3.602 0 40 GHAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(-c2ccccc2F)no1 257333066 XZZKKWLSDYRTGD-COWZOJLOSA-N 383.467 3.958 0 40 GHAB CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)C(C)C)CC1 257327907 XDHHWHWBFUPBGB-UHFFFAOYSA-N 393.531 3.692 0 40 GHAB O=C(N=c1cc[nH]cc1)c1cccc(CNC(=O)c2cccc(C(F)(F)F)c2)c1 604265131 QJPINEWSYAHGND-UHFFFAOYSA-N 399.372 3.705 0 40 GHAB CC1(C)CN(C(=O)Nc2cn(Cc3ccccc3)nn2)CCc2ccccc21 666807200 IKEAPSZVVMGWDE-UHFFFAOYSA-N 375.476 3.694 0 40 GHAB COc1ccc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c(C)c1 1615117365 BGXHESLIOMIDIX-UHFFFAOYSA-N 398.478 3.541 0 40 GHAB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CCc2ccccc2)C1=O 8159776 MKYQGAHEZHXPPO-SFQUDFHCSA-N 384.413 3.882 0 40 GHAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](C)c1ccccc1 5984803 CNISWZKXTMQEFL-ABSDTBQOSA-N 388.533 3.565 0 40 GHAB COc1ccccc1NC(=O)c1cc([C@H]2CCCN(Cc3ccccn3)C2)no1 19571318 IBIDAMQRYSOYRM-INIZCTEOSA-N 392.459 3.710 0 40 GHAB COc1cc2c(cc1CN1CCCC[C@H]1c1ncc3c(n1)CCN(C)C3)CCC2 19590323 CEMKSSMTNLBHHJ-QFIPXVFZSA-N 392.547 3.689 0 40 GHAB Cc1nc([C@H]2CCCCN2C(=O)C2CCC2)ncc1C(=O)NCc1ccccc1 19766341 UKKNVUASBQTEPM-HXUWFJFHSA-N 392.503 3.569 0 40 GHAB CC(C)c1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 19855544 BYTRADHAMZPXOH-UHFFFAOYSA-N 380.897 3.868 0 40 GHAB Cn1cccc1[C@H](CNC(=O)c1ccc(Br)o1)N1CCCCCC1 11846305 DGFQOMAZQXUFIK-HNNXBMFYSA-N 394.313 3.728 0 40 GHAB CCOc1ccc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 12275675 IBICDRADZNXLJS-UHFFFAOYSA-N 378.432 3.550 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)cc3F)sc2c1 14183783 ZJMBCYKECIPLDI-UHFFFAOYSA-N 384.841 3.745 0 40 GHAB O=C(O)[C@@H](CC1CCOCC1)NCc1cc2ccccc2nc1N1CCCCC1 1262163784 HNCCJBBORRESDX-OAQYLSRUSA-N 397.519 3.585 0 40 GHAB CCCn1c(=O)n(CC(=O)N[C@@H](C)c2cc3ccccc3o2)c2ccccc21 14350337 ZNFWXPIZZCJOFU-HNNXBMFYSA-N 377.444 3.837 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(F)cc2)sc(C(C)=O)c1C 1102489 BBPQUHIDGLMQMJ-LBPRGKRZSA-N 393.436 3.981 0 40 GHAB Cc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C)C(=O)N23)c(C)c1 7616065 PDYJKTGGEDRNLT-AWEZNQCLSA-N 392.484 3.654 0 40 GHAB CCOc1ccccc1NC(=O)NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9040295 SEPVAAZVWVCVHO-CQSZACIVSA-N 387.867 3.913 0 40 GHAB CN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 9165571 PCDWEXSCORJYTJ-UHFFFAOYSA-N 394.880 3.522 0 40 GHAB O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 12443434 MZKMJGYHBGKNBF-UHFFFAOYSA-N 395.466 3.654 0 40 GHAB COc1ccc(-c2cn3c(CCC(=O)Nc4nnc(C)s4)csc3n2)cc1 16848833 IXXJENQCMOVGMD-UHFFFAOYSA-N 399.501 3.803 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H](O)c1ccc(-c2ccco2)s1 1775968920 PBJIRNZBPCLKDE-YOIVXCQUSA-N 383.425 3.600 0 40 GHAB Cc1nnc2ccc(S(=O)(=O)N(Cc3ccccc3)c3ccc(F)cc3)cn12 49408515 CYHBNUFQWKDPMM-UHFFFAOYSA-N 396.447 3.572 0 40 GHAB Cc1cc(S(=O)(=O)N2CCC[C@@H](c3ccn(C)n3)C2)c(Cl)cc1Cl 585389446 ABIRASFTSCKRDP-GFCCVEGCSA-N 388.320 3.604 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)N2CCCN(C3CCSCC3)CC2)cc1 618256803 XIZCCYJQKMDVDO-UHFFFAOYSA-N 390.593 3.793 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCc1cccc2cccnc12 40040050 WKXLNPSFHXELGF-JOCHJYFZSA-N 385.467 3.858 0 40 GHAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H]1c1nnc2ccccn12 40005278 JCWOJJYVLHPJAG-MRXNPFEDSA-N 375.457 3.830 0 40 GHAB Cc1cccc(C)c1OCc1nc2c3c4c(sc3ncn2n1)CN(C)CC4 20548662 XDPIUMUMLRPISR-UHFFFAOYSA-N 379.489 3.523 0 40 GHAB COc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1 2643094 RFUDVIFFHGIZNL-UHFFFAOYSA-N 376.412 3.965 0 40 GHAB CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 2646751 ONAALHACVPHFBI-HSZRJFAPSA-N 393.487 3.692 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cc3C)C2)cc1 792342 NWIXFOKGDSESQX-SFHVURJKSA-N 386.517 3.651 0 40 GHAB CCc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccccn2)cc1 1362754 OMYNTDUIKNOYSC-UHFFFAOYSA-N 395.532 3.756 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)N(C)Cc1ccc(Cl)cc1Cl 32876598 IMJBRVMZAYYTFF-UHFFFAOYSA-N 394.301 3.662 0 40 GHAB C[C@@H](NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 4469110 VRHJVSYIFUXDDW-GFCCVEGCSA-N 399.541 3.833 0 40 GHAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 102443676 UEDGYRWZHYEHNC-UDNQCKOASA-N 399.535 3.518 0 40 GHAB CN1[C@H]2CC[C@H]1CC(NC(=O)c1ccc(COc3ccc4c(c3)CCC4)o1)C2 102442780 LBJLHYKZEUQJPY-OALUTQOASA-N 380.488 3.702 0 40 GHAB COc1ccccc1NC(=S)N1[C@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 4857393 NOODTIOFATXPEJ-MQVJKMGUSA-N 389.565 3.940 0 40 GHAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccccc2OC)CC1=O 6288683 QPZQAOMSYDCPFR-WMZOPIPTSA-N 380.488 3.878 0 40 GHAB CCCCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCC)cc2)cc1 6635967 HJWPFFORYKTXNC-UHFFFAOYSA-N 388.533 3.899 0 40 GHAB COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)NCc1ccco1 2725941 KVKHEXUDRKQGFJ-OUKQBFOZSA-N 376.412 3.870 0 40 GHAB CCc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 7669755 DDMCCBBTWFCNLF-GOSISDBHSA-N 392.908 3.694 0 40 GHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)O[C@H](C)C(=O)c2ccccc2)CC1=O 7881502 AOJAQIRWBILRNC-UZLBHIALSA-N 393.483 3.979 0 40 GHAB CCC[C@@](C)(CO)NC(=O)Nc1ccc(Cl)cc1I 97015333 KSPJXMGEASOOGR-ZDUSSCGKSA-N 396.656 3.617 0 40 GHAB Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2C)c1 8417638 GIESAOVCEROZMF-UHFFFAOYSA-N 382.460 3.903 0 40 GHAB O=C1c2ccc(I)cc2C(=O)N1c1ccc(Cl)cc1 649716 HUKBYBMXDXPNTJ-UHFFFAOYSA-N 383.572 3.745 0 40 GHAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1Cl 679040 IGPZAILFUAGEOV-UHFFFAOYSA-N 389.908 3.612 0 40 GHAB Cc1ccc(NC(=O)CN2CCN(Cc3ccc(Cl)s3)CC2)c(C)c1 22772561 CILHVPXIOWFISO-UHFFFAOYSA-N 377.941 3.775 0 40 GHAB CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1 22328097 FALKBNHLHJMHCE-FQEVSTJZSA-N 388.533 3.645 0 40 GHAB C[C@@H](NC(=O)CSc1nnc(NCc2ccco2)s1)[C@H]1C[C@H]2CC[C@H]1C2 104106066 HNCHGABBPUPJPL-UKTARXLSSA-N 392.550 3.776 0 40 GHAB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccccc1 809994 YIVFDBNCPQYJPM-UHFFFAOYSA-N 391.496 3.963 0 40 GHAB Cc1ccc(CNC(=O)C2CCN(C(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1F 105657841 NYFXSJZXTQJOOR-VDGAXYAQSA-N 386.511 3.815 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=S)SCc2nc(N)nc(Nc3ccccc3)n2)C1 1261919 UGTKQAOGUXSKKV-CHWSQXEVSA-N 388.566 3.693 0 40 GHAB C[C@@H](NC(=O)NCCOc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 12567723 MYYXSVTXKATGLG-CYBMUJFWSA-N 376.840 3.550 0 40 GHAB CCN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)[C@H](C)c1ccc(F)cc1 55444190 SBFGRBSQTDYXFY-MRXNPFEDSA-N 379.435 3.659 0 40 GHAB COc1ccc(-c2csc(NC(=O)c3cc(=O)[nH]c4ccccc34)n2)cc1 3293217 MCTYPDCUABVIIT-UHFFFAOYSA-N 377.425 3.913 0 40 GHAB O=C(Nc1cc(O)nc2nc(CCc3ccccc3)nn12)c1ccc(Cl)cc1 16996332 SKUKEVGYGDMVPB-UHFFFAOYSA-N 393.834 3.521 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccncc3)C2=O)c(C)c1 102731266 FVAZHGFOSSHRCS-FDFHNCONSA-N 399.450 3.750 0 40 GHAB CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 10371534 WKCYHFBTLJGBQD-UHFFFAOYSA-N 386.517 3.605 0 40 GHAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1cccc(C[S@@](C)=O)c1 109033892 XWHOJLBYICDVBV-JMQGSBJISA-N 398.572 3.870 0 40 GHAB COCCn1c(S[C@H](C)c2nnc(C)o2)nnc1-c1ccc(Cl)cc1 58173221 ZGLRABOMCPQPBO-SNVBAGLBSA-N 379.873 3.790 0 40 GHAB c1ccc(-c2nnc(SCCN3CCOCC3)nc2-c2ccccc2)cc1 21371282 ALYVSXXHPBHYQN-UHFFFAOYSA-N 378.501 3.630 0 40 GHAB COc1cccc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)c1 306134577 NSNAJGBSDAMFQW-XMMPIXPASA-N 386.499 3.649 0 40 GHAB CC[C@H](C)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 3313886 XLTNDJREKVTSSI-WNSKOXEYSA-N 391.471 3.532 0 40 GHAB COc1ccc(CCN(C)S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1OC 3319189 YYSLNEDLBZTMDA-UHFFFAOYSA-N 391.533 3.801 0 40 GHAB O=C(COc1ccc2c(c1)CCC2)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 48273240 JECLLNVPQLTEGI-HSZRJFAPSA-N 379.456 3.593 0 40 GHAB Cc1cc(Br)ccc1SCC(=O)O[C@@H](C(N)=O)c1ccccc1 11238458 HPEIYAUGWYSEIG-MRXNPFEDSA-N 394.290 3.619 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CN2C(=O)CCC2=O)cc1 12748102 RCYNKGASHUCZFN-UHFFFAOYSA-N 377.227 3.895 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1Oc1ccccc1 12788978 ODIZCIQYBMMOCI-HDICACEKSA-N 390.439 3.759 0 40 GHAB CC(C)N(C(=O)Cn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21)C(C)C 11692473 BYZCPYZNFLHJBL-INIZCTEOSA-N 396.491 3.766 0 40 GHAB CNC(=O)c1ccc(CN(C)C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc1 12855491 DDPWARWRBHESIW-MRXNPFEDSA-N 390.483 3.970 0 40 GHAB COc1cccc(C(=O)COC(=O)c2cccc(C)c2NC(=O)c2ccco2)c1 12838593 QKWVDXYVQBAOCG-UHFFFAOYSA-N 393.395 3.889 0 40 GHAB Cc1ccc(CN(C)C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)o1 8312865 RMAFIVSSDDLUFS-UHFFFAOYSA-N 399.497 3.747 0 40 GHAB COc1ccc(-c2nc(CSCC(=O)Nc3cc(C)on3)cs2)cc1 12983466 QAUNBIACJFMGFD-UHFFFAOYSA-N 375.475 3.987 0 40 GHAB Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 22514787 QZYFWOMZRUHPNM-HXUWFJFHSA-N 398.528 3.587 0 40 GHAB CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1 4089701 VDECLAHIMZTALZ-UHFFFAOYSA-N 376.434 3.605 0 40 GHAB O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)Nc1nc2ccccc2s1 4276231 QCZKWWCNQWDUFD-UHFFFAOYSA-N 387.420 3.684 0 40 GHAB C[C@@H](C(=O)NC1CCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 113940408 IVZZGCOIIXFGCL-NSHDSACASA-N 393.336 3.597 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCC(OCc3ccccc3)CC2)cc1 14095578 XRWLRPPXTUCTGI-KRWDZBQOSA-N 395.503 3.653 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)cc1 5357334 QSECLKZEZBPIMI-UHFFFAOYSA-N 392.411 3.515 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c1C 4548420 CXCXXQZLTDVVQL-UHFFFAOYSA-N 396.415 3.944 0 40 GHAB CC(C)c1nnc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)s1 14227466 IZYVGQVEEXMAQN-UHFFFAOYSA-N 378.461 3.707 0 40 GHAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(F)cc1 6587679 CUQSBYJYIVHHFX-UHFFFAOYSA-N 388.398 3.504 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C)c(C)c(C)c2C(N)=O)c1C 8705340 ORLGEDVOZVQYSL-CQSZACIVSA-N 387.505 3.617 0 40 GHAB CCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1Br)OCCO2 4723237 SZQQMNKFYUXBQB-UHFFFAOYSA-N 390.233 3.800 0 40 GHAB CCCSc1nnc2c(n1)O[C@@H](c1cccnc1)N(C(C)=O)c1ccccc1-2 5736003 NOBLBGJPHXLBLU-IBGZPJMESA-N 393.472 3.880 0 40 GHAB Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(C)n1Cc1ccco1 4823159 NEQQNKUIRTWVIR-UHFFFAOYSA-N 377.400 3.662 0 40 GHAB COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 15014002 BFBLHAWTSSAWKO-ZNKOEICNSA-N 396.531 3.519 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3ccc(OCC(=O)c4ccccc4)cc3)C(=O)[C@H]2C1 5854634 FLWMRVNWDBWABL-UXHICEINSA-N 375.424 3.794 0 40 GHAB O=C(C1CCCCC1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 67205795 XPKYRRYRXGYFDX-UHFFFAOYSA-N 383.448 3.752 0 40 GHAB CCOC(=O)N1CCC(NC(=O)Cc2coc3ccc4ccccc4c23)CC1 8984985 IWBVLRIPQVATNT-UHFFFAOYSA-N 380.444 3.866 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)N[C@@H](CC(C)C)c3ccccc3)nc2n1 7426412 ULVPOHMPZWHPDJ-KRWDZBQOSA-N 383.521 3.737 0 40 GHAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 24571916 KJZLFPQKEMLPOM-UHFFFAOYSA-N 392.786 3.718 0 40 GHAB COc1ccc(C)cc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 8073226 FULHLAPHNOJFIJ-IBGZPJMESA-N 396.487 3.941 0 40 GHAB COc1ccc(OCCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 8190513 IDLFYFREHKPJLW-UHFFFAOYSA-N 394.475 3.707 0 40 GHAB Cc1c(Br)cccc1NC(=O)CNC(=O)c1c(F)cccc1Cl 72271347 SSLQHUQKTBNMGV-UHFFFAOYSA-N 399.647 3.919 0 40 GHAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(CCO)C3=O 16751327 VJBARBNKXOUGLX-KRWDZBQOSA-N 383.831 3.601 0 40 GHAB O=C(NC[C@H]1CCCN(C[C@H](O)CCc2ccccc2)C1)Nc1cccc(F)c1 96013751 JQANWUVUDCLUIN-DENIHFKCSA-N 399.510 3.653 0 40 GHAB CC(C)CCO[C@H]1CCCC[C@@H]1Nc1ccc(S(N)(=O)=O)c2cccnc12 95442270 LATJXGXGPISQIP-WMZOPIPTSA-N 391.537 3.668 0 40 GHAB Cc1sc(NC(=O)c2ccc(C(N)=O)cc2)nc1-c1c(F)cc(F)cc1F 95947871 KPQNIKRLDQDKCU-UHFFFAOYSA-N 391.374 3.887 0 40 GHAB Cc1sc(NC(=O)c2cn(Cc3cccnc3)nn2)nc1-c1ccc(F)cc1 95962073 JPMDHZJQCRHBIQ-UHFFFAOYSA-N 394.435 3.545 0 40 GHAB O=C(c1ccccc1)C1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1 9989962 MDVRCDVJIMMELD-UHFFFAOYSA-N 392.377 3.758 0 40 GHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(F)c2)cc1OCC 20450713 HLFOOONTAALRNN-ZDUSSCGKSA-N 397.468 3.671 0 40 GHAB Cc1ccc(N2CCN(C[C@H](O)COc3cccc4ccccc34)CC2)cc1 29589837 LPYULKPFEZXRTH-QFIPXVFZSA-N 376.500 3.710 0 40 GHAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 408583820 KPJBCAQHMCKLJO-UHFFFAOYSA-N 381.885 3.918 0 40 GHAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(C(=O)O)cc1 408569287 MUCSGOBJCSRUMR-UHFFFAOYSA-N 375.471 3.881 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C(N)=O 33594291 NBDXUGIOXALLES-UHFFFAOYSA-N 393.679 3.855 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cc2ccccc2cc1O 32942923 UHQNXNNJHPQAJY-INIZCTEOSA-N 377.440 3.840 0 40 GHAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)c3nccn3C)C2)n1 72356220 RKLSZWCXJVXZAC-IBGZPJMESA-N 392.478 3.873 0 40 GHAB CC(C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 216407337 OJPUQESENMDVTL-UHFFFAOYSA-N 380.897 3.917 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)[C@H](c3ccccc3)N3CCCC[C@H]3C)cc2NC1=O 36748682 LDIYXNVMTYBEDU-XFQAVAEZSA-N 393.487 3.960 0 40 GHAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 219051989 WDHYNHYSMVLFDP-GOSISDBHSA-N 389.499 3.998 0 40 GHAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 219314649 OWJFUKBQASWAQA-RTBURBONSA-N 389.517 3.823 0 40 GHAB Cn1nc(-c2cccs2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccccn1 35415792 YDYGSWAFEQWGOB-UHOSZYNNSA-N 393.560 3.511 0 40 GHAB biogenic,in-vitro CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1=O 225969236 CUCDOXCNJPPYEH-UHFFFAOYSA-N 397.258 3.945 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(SC(C)C)s2)cc1Cl 223011252 DXRWIVLJDOTKDQ-UHFFFAOYSA-N 379.916 3.501 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCCC3)cc2C)cc1 224204311 CSXWTUCJQHAQQC-UHFFFAOYSA-N 386.517 3.755 0 40 GHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1C 223117137 VLMSLXLNBDBCLT-MRXNPFEDSA-N 398.528 3.642 0 40 GHAB CN(C)C(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1Cl 41116968 FIVHKFHVRDGXLN-UHFFFAOYSA-N 387.288 3.637 0 40 GHAB CCN(c1ccc(C(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccccc1 224358049 MGXBJWQUUYASDS-UHFFFAOYSA-N 381.457 3.549 0 40 GHAB CN(Cc1ccccc1Cl)C(=O)c1cccc(N2CCCCS2(=O)=O)c1 224513177 ZYMLLFPECWYVEI-UHFFFAOYSA-N 392.908 3.542 0 40 GHAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1 225451213 IYALQGUIVNRXPD-QFIPXVFZSA-N 396.531 3.750 0 40 GHAB COc1ccc(Br)cc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@@H]2C3)CC1 224084610 FRJUIIYCYYSTGB-ZACQAIPSSA-N 391.353 3.788 0 40 GHAB Cc1cccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224314896 LCXMHRHATSNFBN-SFHVURJKSA-N 384.495 3.866 0 40 GHAB Cc1cccc(CN(C(=O)COc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224143246 GBZXPAJGSKMBOM-IBGZPJMESA-N 382.504 3.563 0 40 GHAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 223429357 XMTLGGGMZUCQHM-UXHICEINSA-N 378.501 3.601 0 40 GHAB CCc1ccccc1NC(=O)N1CCc2nc(N3CCCC3)nc(C)c2CC1 96254692 BHRJOURBFADGPI-UHFFFAOYSA-N 379.508 3.580 0 40 GHAB C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(CN(Cc1ccc(F)cc1F)C1CC1)C2=O 245225209 PRWYNPLCPDIRNL-JORQVXCQSA-N 391.462 3.633 0 40 GHAB C[C@@H](O)CC(C)(C)NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257271329 MXWGUGOEKSPRGN-GOSISDBHSA-N 396.531 3.754 0 40 GHAB CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1 617466269 BKBMLFVDEWALFN-SECBINFHSA-N 392.424 3.765 0 40 GHAB N[C@H](C(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1)[C@@H]1CCCO1 1616035227 SVEQCDTXAMVWKR-WMZOPIPTSA-N 395.286 3.908 0 40 GHAB CN1Cc2ccccc2[C@@H](NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 655741197 CEBUJPXEHSDSRA-VQTJNVASSA-N 385.895 3.610 0 40 GHAB Cc1ccc(C)c2nc(O)c(CNC[C@@H](O)COc3ccc(Cl)cc3)cc12 585284992 MVJVYXAHJAZMMD-QGZVFWFLSA-N 386.879 3.740 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1NS(C)(=O)=O 43966275 SHUULDGCKNTXKY-UHFFFAOYSA-N 386.395 3.946 0 40 GHAB COc1ccc(CN(C)Cc2nc(N3CCCC3)ncc2-c2ccncc2)cc1 72337806 AQNBVHSEXZFMSC-UHFFFAOYSA-N 389.503 3.779 0 40 GHAB CC(C)c1ccc(N(C(=O)Cc2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 5080985 VRDJPFQNXBAWLY-FQEVSTJZSA-N 387.476 3.836 0 40 GHAB CSC1=NC(=O)[C@H](Cc2ccc(OC(C)C)cc2)C(=O)N1c1ccccc1 5633330 KKWIQJOWDQXBOF-SFHVURJKSA-N 382.485 3.925 0 40 GHAB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)o2)c1 12172827 CMIKOYJSWFECKQ-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB NC(=O)CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1cccs1 12809736 ABINCVKFWZPWTI-UHFFFAOYSA-N 396.900 3.967 0 40 GHAB CCCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(OC)cc1 13479909 GKGLSEQDCCGLFN-UHFFFAOYSA-N 380.444 3.879 0 40 GHAB Cc1nn(C(=O)Cc2ccccc2)c2c1[C@@H](c1ccc(O)cc1)SC(N)=N2 16958307 KZIIHHQRCNRCIL-GOSISDBHSA-N 378.457 3.562 0 40 GHAB C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2)n1cccn1 19455410 BIHVFJAETURYKS-PXNSSMCTSA-N 391.471 3.706 0 40 GHAB CC(C)(C)c1csc(CCNC(=O)[C@H]2CC(c3ccccc3Cl)=NO2)n1 19662461 VXKOIMZVRWMWKT-OAHLLOKOSA-N 391.924 3.946 0 40 GHAB Cc1nn(C)cc1-c1cc(C(=O)NCC2(N(C)C)CCCC2)c2ccccc2n1 19716415 OKJXQFVZHIXLGM-UHFFFAOYSA-N 391.519 3.548 0 40 GHAB O=C(O)c1cc(Br)ccc1NC(=S)NC(=O)C1CCCCC1 226353696 LUZKTANLVGYTIF-UHFFFAOYSA-N 385.283 3.541 0 40 GHAB CCn1ccnc1CNC(=O)N[C@H]1CCCCc2cc(Br)ccc21 661261546 JFOVOUYFRARJST-INIZCTEOSA-N 391.313 3.932 0 40 GHAB Cc1cc(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)no1 2623112 SDZJBGFEYOTBIA-UHFFFAOYSA-N 391.474 3.647 0 40 GHAB Cc1ccc(-c2nnn(CC(=O)N[C@H](C)c3ccc(Cl)cc3Cl)n2)cc1 5491871 WHBZJYPPDCLPTE-GFCCVEGCSA-N 390.274 3.833 0 40 GHAB CC(C)N(C(=O)CN(c1ccc(Cl)cc1F)S(C)(=O)=O)c1ccccc1 8187525 TTXPHAUDAHCUNR-UHFFFAOYSA-N 398.887 3.687 0 40 GHAB O=C(c1cncnc1)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1889024321 FMJQKSYRUALVSL-UHFFFAOYSA-N 396.454 3.502 0 40 GHAB CSc1nc2ccc(NC(=O)CN3C(=O)[C@@H](C)Oc4ccccc43)cc2s1 26752975 VXYSAEUNDXAGAE-LLVKDONJSA-N 399.497 3.771 0 40 GHAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccc3c(c2)OCCO3)no1 27354742 AUXYPAFSEYDJAT-OAQYLSRUSA-N 393.443 3.566 0 40 GHAB COc1ccc(CN2CC3(CCN(C(=O)c4cc(C)cs4)CC3)CC2=O)cc1 1565553793 JMPRKMBTUQEJRI-UHFFFAOYSA-N 398.528 3.720 0 40 GHAB CCOC(=O)[C@H](CC)Sc1nnc(NC(=O)Nc2ccc(F)cc2)s1 4851282 UZXOROIRNSPOIF-NSHDSACASA-N 384.458 3.755 0 40 GHAB Cc1nc2cc(NC(=O)NCc3cncc(-c4cnn(C)c4)c3)ccc2s1 575617669 ZKTGXRSPYKVPKJ-UHFFFAOYSA-N 378.461 3.722 0 40 GHAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccc(F)c(Cl)c1 70636137 HZGYREVROQQFHS-SFHVURJKSA-N 379.840 3.644 0 40 GHAB COc1cc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc(OC)c1OC 2286501 INZGOVVMDUHFGU-UHFFFAOYSA-N 390.280 3.717 0 40 GHAB COc1ccc(OC)c2c1CN(Cc1nc(-c3cccs3)oc1C)C[C@H]2O 40072410 RIEJPQVQVAUGRL-OAHLLOKOSA-N 386.473 3.778 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c1C 40059895 JLITZRHWRBGESO-LLVKDONJSA-N 380.391 3.901 0 40 GHAB O=C(Cc1csc(-c2ccccn2)n1)NC[C@H](c1ccccc1)N1CCCC1 40012820 RPIHLHAQUKMIAM-HXUWFJFHSA-N 392.528 3.701 0 40 GHAB O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 100047774 XVNWHYCHGXRDLO-DZOHQFGASA-N 385.341 3.665 0 40 GHAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(OC[C@@H]2CCCO2)cc1 40145782 XLALOADGNCDHBH-KRWDZBQOSA-N 399.472 3.927 0 40 GHAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCC(CN2CCCCCC2)CC1 40121847 MGYXQMBMOKYVKV-OALUTQOASA-N 389.588 3.769 0 40 GHAB COC(=O)c1cc(CN(C)C(=O)c2cccc(OCc3cccnc3)c2)oc1C 40141665 JAYFUTMYJMCTMS-UHFFFAOYSA-N 394.427 3.621 0 40 GHAB Cc1ccn2c(=O)cc(CSc3nc(NC4CC4)c4ccccc4n3)nc2c1 31784477 WMQQFKABIPGDTD-UHFFFAOYSA-N 389.484 3.813 0 40 GHAB CCC[C@@H]1[C@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@H]2ON1c1ccccc1 101146495 DYGSNVAEYHBMBN-RLLQIKCJSA-N 380.444 3.564 0 40 GHAB CC(C)(C)n1ncc2c1N=C(O)C[C@@]21C(=O)Nc2ccc(Br)cc21 32095161 UITFOLATHDXUFR-KRWDZBQOSA-N 389.253 3.631 0 40 GHAB Cc1cc(C(=O)Nc2ccc(Cn3cc(Cl)cn3)cc2)c2c(C)nn(C)c2n1 17080732 QRFPFHDWBDYFCH-UHFFFAOYSA-N 394.866 3.736 0 40 GHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCc2ccccc2)cc1 835272 AGMBOWLKHLHECT-UHFFFAOYSA-N 394.496 3.583 0 40 GHAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCCC3)cc2c1 888935 UXBMFGIGRUMXPG-HXUWFJFHSA-N 392.507 3.513 0 40 GHAB C[C@@H]1[C@@H](NC(=O)COc2ncnc3ccc(Br)cc23)CCC[C@H]1C 102362970 TZRNYRDXGUGTBP-XUJVJEKNSA-N 392.297 3.712 0 40 GHAB CCOc1ncccc1CNC(=O)N[C@@H](C)c1cnn(-c2ccc(C)cc2)c1C 32803591 JDBDDIPWJJNOCY-INIZCTEOSA-N 393.491 3.843 0 40 GHAB Cc1ccc(C(=O)NCCNC(=O)N2CCC(Cc3ccccc3)CC2)cc1F 32803076 TWUGPNZKTXAUFL-UHFFFAOYSA-N 397.494 3.528 0 40 GHAB CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(F)cc1 3187942 GJWSJLVTFBMYLT-GOSISDBHSA-N 393.418 3.578 0 40 GHAB O=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3439999 WMRMUTBRVYQYHG-UHFFFAOYSA-N 394.443 3.782 0 40 GHAB CCN(CC)C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)[C@H](COC)OC 4792383 SWYKAZJQKQLLEF-YADHBBJMSA-N 399.531 3.734 0 40 GHAB CCOc1ccc(C(=O)CSc2nnc(-c3ccco3)n2CCOC)cc1 4861154 OCICPGMVZHGVRD-UHFFFAOYSA-N 387.461 3.558 0 40 GHAB O=C(CCC(=O)OCC(F)(F)C(F)F)Nc1ccc(Br)cc1 6883275 MCNNFRRKDYGOBG-UHFFFAOYSA-N 386.139 3.611 0 40 GHAB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1C1CCCCC1 6961455 AZRJTLZGHYRSTG-XDHOZWIPSA-N 392.459 3.672 0 40 GHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 17078312 JCRFRYJFDJWCPE-QGZVFWFLSA-N 383.473 3.934 0 40 GHAB COc1ccc2c(OC(C)=O)c(-c3ccc4c(c3)OCCCO4)c(=O)oc2c1 636551 QBCZDYZPEVJGJY-UHFFFAOYSA-N 382.368 3.555 0 40 GHAB COc1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1F 8041497 CNSZUBDYORDKDB-UHFFFAOYSA-N 378.194 3.537 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=S)Nc2ccccc2)CC1 10846325 BCNCPXCEMHVQTG-UHFFFAOYSA-N 382.485 3.750 0 40 GHAB C[C@@H](c1cccs1)N(C)CCS(=O)(=O)c1ccc(Br)cc1 24114102 VQUKPVPXSLJXSF-LBPRGKRZSA-N 388.352 3.977 0 40 GHAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ccc(O)cc2)CC1 57024290 XOGMMJOMCSIGGW-CYBMUJFWSA-N 394.302 3.848 0 40 GHAB O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCc2[nH]c3ccccc3c2C1 26360211 GBPUHISPINOFJY-SFHVURJKSA-N 376.456 3.924 0 40 GHAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccco1 12541880 GBIXVMJNKPRKLT-GFCCVEGCSA-N 376.459 3.633 0 40 GHAB CN(Cc1nc(-c2ccco2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108339417 PBVAIXKIINJLRL-CJNGLKHVSA-N 380.231 3.727 0 40 GHAB CC(C)C(NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)C(C)C 2070502 DYXCQDLNSSSHBI-UHFFFAOYSA-N 388.533 3.679 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)NCCNc3ccccn3)ccc2s1 58007919 LWWBVDBLGGFGMR-UHFFFAOYSA-N 384.461 3.707 0 40 GHAB CC(C)[C@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)N(C)C 58143987 CLJHKIPYLFQIBU-HKUYNNGSSA-N 387.549 3.934 0 40 GHAB CCOc1ccc(-c2noc(-c3nnn(-c4cccc(CC)c4)c3N)n2)cc1 10273117 LFCSVGQAVKGCKT-UHFFFAOYSA-N 376.420 3.528 0 40 GHAB O=C(COC(=O)Cc1ccc(Br)cc1)NCc1ccc(Cl)cc1 3249133 WOMZWSOGJJNHIT-UHFFFAOYSA-N 396.668 3.505 0 40 GHAB CCCn1nc(C(=O)Nc2ccccc2Br)c2ccccc2c1=O 3292553 LIMKQYMMMGXNJF-UHFFFAOYSA-N 386.249 3.821 0 40 GHAB CN(Cc1cccnc1)C(=O)/C=C/c1ccc(OCc2cn3ccccc3n2)cc1 12603993 UKOXFQRVGIVKET-FMIVXFBMSA-N 398.466 3.980 0 40 GHAB O=C(N1CCN(c2ccc(Cl)cc2)CC1)C1(c2ccccc2)CCOCC1 58470029 PVVQPDMUHAWDEE-UHFFFAOYSA-N 384.907 3.737 0 40 GHAB CCCCCNC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 10741863 RYVSCVNEJCFUDF-UHFFFAOYSA-N 397.928 3.741 0 40 GHAB CCCCCn1c(N)c(C(=O)NCCCOC(C)C)c2nc3ccccc3nc21 2417873 HRSANYCBXJPFGC-UHFFFAOYSA-N 397.523 3.902 0 40 GHAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NCC(OC)OC)c23)CO1 2422610 HJHPKMNNBPRNHO-KRWDZBQOSA-N 383.539 3.685 0 40 GHAB CC(C)C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1C(=O)c2ccccc2C1=O 3440010 WIJMKVCYDZSSSP-RTWAWAEBSA-N 390.483 3.891 0 40 GHAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCCc1ccc(C(F)(F)F)cc1 12931263 MNXQPYCISRNWFZ-INIZCTEOSA-N 390.405 3.955 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 13141911 TXFRKUKYKDTADV-CALCHBBNSA-N 379.456 3.864 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 8709111 PFRZETVOXJDHMJ-QRWLVFNGSA-N 393.487 3.818 0 40 GHAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(I)cc1 6219282 CBRHIJJWRXVSAO-UHFFFAOYSA-N 393.224 3.797 0 40 GHAB C[C@H]1c2cccn2CCN1CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 14241989 OXYACDZGAPAPLL-BTYIYWSLSA-N 383.492 3.971 0 40 GHAB CCCn1nc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)c2ccccc2c1=O 6560588 HYCQTXMEYRQJMI-UHFFFAOYSA-N 392.455 3.771 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2 4680316 HEKJORIOOVCLDH-XXAPSYRMSA-N 382.548 3.989 0 40 GHAB O=C(COCC(=O)NC1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 4682634 NPHDVEFTNYWJKB-UHFFFAOYSA-N 382.460 3.883 0 40 GHAB COc1cc2oc(=O)c(CC(=O)NCc3ccc(C)cc3)c(C)c2cc1Cl 4742901 URDQRUXZHRYEQZ-UHFFFAOYSA-N 385.847 3.931 0 40 GHAB O=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 6751953 UVUKYASQQLORPR-UHFFFAOYSA-N 381.863 3.706 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(SCCOc3ccc(F)cc3)nnc12 6910387 LTZQKNYAUXWXSW-UHFFFAOYSA-N 398.463 3.764 0 40 GHAB O=S(=O)(c1ccccc1)c1ccc(Oc2ncc(Br)cn2)cc1 67368400 FHJWYAFSBYBETI-UHFFFAOYSA-N 391.246 3.864 0 40 GHAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c1 113966690 LEZIPIXEWGXQCM-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccccc1 409384844 FJHHTBGVKZXJAD-UHFFFAOYSA-N 386.452 3.747 0 40 GHAB COc1ccc(Br)c(C(=O)Nc2cc(NC(C)=O)ccc2OC)c1 7758297 OIDZHFDOBQHXJI-UHFFFAOYSA-N 393.237 3.677 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21)c1ccco1 68713104 HSQWMLTVTOFHJB-NRFANRHFSA-N 381.815 3.940 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1CCCc2ccccc21 8072075 YNQONZUKVXJOED-UHFFFAOYSA-N 391.500 3.747 0 40 GHAB Cc1cc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2O)c2ccccc2)no1 16814774 MMBHPBXIIPPSKR-KRWDZBQOSA-N 386.791 3.879 0 40 GHAB O=C(COC(=O)c1ccc(COc2ccccc2)cc1)NC(=O)C1CCCCC1 9480582 HGBQTSSRVFLORZ-UHFFFAOYSA-N 395.455 3.646 0 40 GHAB O=c1[nH]c(CNc2ccc3c(c2)OCCO3)nc2scc(-c3ccco3)c12 9643045 VESYAKZKTHECBD-UHFFFAOYSA-N 381.413 3.628 0 40 GHAB COCc1cccc(C(=O)OCc2cc(=O)c(OCc3ccccc3)co2)c1 95407863 XYOYNWUZIWTKIN-UHFFFAOYSA-N 380.396 3.722 0 40 GHAB OCCCc1cn(Cc2cc(F)ccc2Br)nc1C(F)(F)F 95460301 APLMLIFKDGUKOK-UHFFFAOYSA-N 381.167 3.777 0 40 GHAB COCc1cccc(CNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 95951186 BWFMUFNENMABTQ-UHFFFAOYSA-N 391.349 3.832 0 40 GHAB C[C@H]1c2cccc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c2O[C@@H]1C 9954343 QFOWVEIUPYRXSR-IAGOWNOFSA-N 384.520 3.826 0 40 GHAB COc1ccc(COCCCNC(=O)/C=C/c2ccc(-n3ccnc3)cc2)cc1 67192088 FFLVUJYOHLVRHZ-KPKJPENVSA-N 391.471 3.617 0 40 GHAB CCCNC(=O)C1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 42687089 YUMFTYQJEIZTSR-GFCCVEGCSA-N 386.323 3.559 0 40 GHAB CCC1CCN(CCCNC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)CC1 1505840657 MBJQQBQYARUVAO-MNLRITNHSA-N 393.616 3.582 0 40 GHAB COc1ccc(CNS(=O)(=O)c2cccc(COc3ccccc3)c2)cc1 72265356 XZPYSOPTKAMTSD-UHFFFAOYSA-N 383.469 3.753 0 40 GHAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc(F)c1C 33740460 SRTMOMATIGHTJK-IFXJQAMLSA-N 392.496 3.774 0 40 GHAB Cc1nc(-c2ccncc2)sc1C(=O)N1CCN(c2ccc(F)cc2)CC1 31864734 KFHIHCAWDZHYEQ-UHFFFAOYSA-N 382.464 3.615 0 40 GHAB Fc1cccc(-c2ccc(CN3CCn4c(nnc4[C@H]4CCCCN4)C3)cc2)c1 72374061 PCEFFWMUGFSHHV-OAQYLSRUSA-N 391.494 3.915 0 40 GHAB COc1cccc(OCCc2cc([C@H]3CCN(C(=O)C4CCCC4)C3)n[nH]2)c1 72371374 HWSYVZOTYLBWHG-KRWDZBQOSA-N 383.492 3.546 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 219061591 VHUNWWRUTBQNMO-SUMWQHHRSA-N 395.908 3.778 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2C(=O)Cc2ccccc2)n1 72354682 AQNGWFXYGCWHDD-LJQANCHMSA-N 376.435 3.771 0 40 GHAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 222935102 WGHUKMUXZSRDJW-SFTDATJTSA-N 391.544 3.955 0 40 GHAB COC(=O)c1ccc(CN(C)c2nn3cc(-c4ccccc4)nc3s2)cc1 48149685 VZRSSQLSKRKCOI-UHFFFAOYSA-N 378.457 3.881 0 40 GHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1nc(-c2cccs2)no1 224132974 DYUTZQHAJVDWPV-ZDUSSCGKSA-N 383.473 3.761 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12 222430538 WTRLZYPOOJLBHP-SFHVURJKSA-N 390.483 3.690 0 40 GHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 223220606 MVYRFMALIVAWMH-RTBURBONSA-N 385.581 3.562 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225177966 JZPYDJKRRQJLSL-UHFFFAOYSA-N 396.465 3.592 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1ccccc1F)S(C)(=O)=O 220585781 MDACRMXMWNGLHV-HNNXBMFYSA-N 384.860 3.662 0 40 GHAB COc1ccc(CNC(=S)Nc2nc(C)cc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 225932236 LOKKEEYAMRDMOY-GJZGRUSLSA-N 399.564 3.763 0 40 GHAB Cc1sc(C(=O)O)cc1CN(C)[C@H]1CCN(c2ccccc2Cl)C1=O 582008137 ANGDANLFQJBMIG-HNNXBMFYSA-N 378.881 3.645 0 40 GHAB Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3cc(-n4cccc4)ccn3)C2)s1 578633982 GKCJYBIQVZMNDG-SFHVURJKSA-N 394.544 3.836 0 40 GHAB O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 529088708 DNLVZFBVKIRPJV-UXGGDIESSA-N 395.937 3.981 0 40 GHAB O=C(Cn1ccnc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257210396 BULBWXGNFUBDHI-SFHVURJKSA-N 384.867 3.869 0 40 GHAB Cc1cc(O[C@@H]2C[C@@H](N)[C@H](N(C)CCc3ccccc3)[C@H]2O)cc(C(C)C)c1 257291645 QHYIOGBAJCMDPR-LWSSLDFYSA-N 382.548 3.501 0 40 GHAB Cc1nccc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)n1 257303883 SJDUGCFKOFVYAY-MRXNPFEDSA-N 380.423 3.523 0 40 GHAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(C(=O)c1cccnc1)CCO2 257259306 KXSPECWQYMKXNP-FUDKSRODSA-N 398.478 3.866 0 40 GHAB COc1ccc(OC)c(-c2cc3ccc4c(c3oc2=O)CN(C2CC2)CO4)c1 32502125 JMNISAPVOPAILS-UHFFFAOYSA-N 379.412 3.792 0 40 GHAB biogenic O=C(N[C@H](CO)Cc1cncs1)[C@H](c1ccccc1)c1ccc(Cl)cc1 1149832139 FQVLZFIOWRDJNF-PKOBYXMFSA-N 386.904 3.648 0 40 GHAB COc1ccccc1NC(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 90504333 DXNDESGTPHOUOB-UHFFFAOYSA-N 392.459 3.842 0 40 GHAB Cc1ccccc1OCC(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96096585 YLONISDCYCVVSX-UHFFFAOYSA-N 383.473 3.892 0 40 GHAB Cc1nc(/C=C/C(=O)N2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)cs1 585289407 FTOBSMCUZBSWQN-OFPNUDFGSA-N 398.528 3.832 0 40 GHAB Cc1cc(CCC(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)ccc1Cl 96374468 PFIWGWGXZBETHA-UHFFFAOYSA-N 385.957 3.643 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc(N3CCCCC3)n2C2CC2)c1 11369882 COTTYYZXMANTTH-UHFFFAOYSA-N 385.537 3.951 0 40 GHAB COc1ccc(CC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1OC 12116158 NJYUDTMHNVAKQR-SFHVURJKSA-N 379.460 3.876 0 40 GHAB CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)[nH]n2)c1C 12147234 CRGQTYYGBLMGHS-ZDUSSCGKSA-N 377.492 3.890 0 40 GHAB Cc1cccc(CNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1 13649420 NHUGMHVDUVQGGD-UHFFFAOYSA-N 394.496 3.754 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 14091609 KMKAGMKZRHEARY-UHFFFAOYSA-N 396.516 3.762 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)c2ccccc2C)cc1 14410828 DPJHYUHDBPLOLE-UHFFFAOYSA-N 388.533 3.661 0 40 GHAB O=c1cc(-c2ccc(F)cc2)nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]1 14606941 ZGJOULGUAGHNFE-UHFFFAOYSA-N 384.842 3.556 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2C)c(C)c1 16267531 ZFUVLBSQLYWYCN-UHFFFAOYSA-N 394.924 3.833 0 40 GHAB CC(C)(C)CC(=O)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(N)=O)C1 19082599 PCTVWKFFSRSWDQ-DEOSSOPVSA-N 393.531 3.821 0 40 GHAB COc1cccc(CN2CCC[C@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)c1 19565102 COAYCCVUFLGWGO-AWEZNQCLSA-N 391.397 3.531 0 40 GHAB COc1cccc(-c2csc(N3CCN(C(=O)c4cccc(F)c4)CC3)n2)c1 1349988 JDYVBPQIVLGBHE-UHFFFAOYSA-N 397.475 3.920 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](c3nnc(CC(C)(C)C)o3)C2)c1 23140396 GWSQGHHGVHLENA-INIZCTEOSA-N 391.537 3.843 0 40 GHAB O=C(COn1nnc2ccc(Cl)cc21)Nc1ccc(-c2ccccc2)cc1 5458177 WWGJKSORJVTRDV-UHFFFAOYSA-N 378.819 3.819 0 40 GHAB O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc2[nH]c3c(c2c1)CCCC3 21128094 LMTHSMHIPRFSNM-UHFFFAOYSA-N 396.516 3.588 0 40 GHAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(CSc2ncn[nH]2)cc1 21466241 TWYDYFLKWKZCTA-UHFFFAOYSA-N 390.415 3.628 0 40 GHAB CCn1c(SCc2noc(-c3cccs3)n2)nc2ccsc2c1=O 28192616 YBLAOXDVRAPVAI-UHFFFAOYSA-N 376.488 3.882 0 40 GHAB CCOC(CCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1N2)OCC 2958702 YXXGGKMHTADXTL-UHFFFAOYSA-N 383.448 3.515 0 40 GHAB COc1ccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)cc1 4358314 KIJQPKRZQNNYFT-UHFFFAOYSA-N 386.502 3.956 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)c1cc(=O)c2ccccc2o1 1775967148 HDIUYYNMCSUJIC-AWEZNQCLSA-N 381.409 3.578 0 40 GHAB O=C(c1cc2ccccn2c1)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1775971497 QJRSZBZKXHWVCA-UHFFFAOYSA-N 398.466 3.640 0 40 GHAB Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)NCc3cccs3)cc12 36709092 CCADKVHHATVULU-UHFFFAOYSA-N 395.532 3.678 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38728440 WCFMOSAYUULVGY-DHIUTWEWSA-N 399.494 3.565 0 40 GHAB COc1ccc(-c2nnc(CC(=O)NCc3cccc(C(F)(F)F)c3)o2)cc1 49405733 OAQGWYSXCLMSGO-UHFFFAOYSA-N 391.349 3.623 0 40 GHAB O=C(Nc1cnn(CC2CCOCC2)c1)c1cc(Br)ccc1Cl 206836577 NDKLGTIHLVAOMJ-UHFFFAOYSA-N 398.688 3.978 0 40 GHAB O=C(c1ccc(Br)o1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225738304 JXKKDTNDHKFRML-ZDUSSCGKSA-N 387.233 3.884 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 40042665 CIHWLVPPSWDIDW-PKOBYXMFSA-N 382.460 3.504 0 40 GHAB O=C(NCCNc1ncccn1)c1cc(-c2cccs2)nc2ccccc12 40088539 DQQDBUCTILLNBO-UHFFFAOYSA-N 375.457 3.595 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CSCN1C(=O)c1ccccc1 40157374 YDTMCMXPVYOOBM-HNNXBMFYSA-N 380.391 3.859 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCC(N4CCCCC4)CC3)c12 40158568 UQVIJFGXYSEUQM-UHFFFAOYSA-N 394.475 3.882 0 40 GHAB O=C(Nc1nc(-c2ccco2)cs1)C1CCN(C(=O)c2cccs2)CC1 40111453 ULGIOVWEQOUWNT-UHFFFAOYSA-N 387.486 3.956 0 40 GHAB CC1CCN(CCCCNC(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)CC1 40108375 XSIZQBUQCTXAJJ-SNAWJCMRSA-N 392.927 3.753 0 40 GHAB O=C1C[C@H](N2CCc3c([nH]c4ccc(F)cc34)C2)C(=O)N1c1cccc(Cl)c1 30904015 SBLZTLNFDIMPQO-IBGZPJMESA-N 397.837 3.651 0 40 GHAB COc1ccc(/C=C2/NC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc1 100352842 UQBZFNQHDUZFFR-XNTDXEJSSA-N 376.384 3.559 0 40 GHAB O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1)c1ccco1 32098228 UWYVGLYKJSMRRU-UHFFFAOYSA-N 376.821 3.986 0 40 GHAB Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)cc1 20733932 JFRAVPGIOCQCFA-KRWDZBQOSA-N 380.469 3.853 0 40 GHAB O=C(NCc1ccccc1)c1cc2ccccc2cc1OCc1nnnn1C1CC1 29376872 SRCMUYDZRBXMRB-UHFFFAOYSA-N 399.454 3.670 0 40 GHAB O=C(NCCOc1ccccc1F)c1ccc(NC(=O)c2cccs2)cc1 8395801 YNPBACXRSMQPCZ-UHFFFAOYSA-N 384.432 3.948 0 40 GHAB COc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1ccc(Cl)cc1 807737 GXEOVRJANCPJDZ-RHSMWYFYSA-N 379.865 3.716 0 40 GHAB COc1cccc(-c2nnc(S[C@@H]3CCOC3=O)n2-c2ccc(C)cc2)c1 2652857 YKPDOZHHTOLPOB-QGZVFWFLSA-N 381.457 3.659 0 40 GHAB COc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)c2ccc(Cl)cc2)c1 820294 QXQWJQFXOFCAFV-KRWDZBQOSA-N 398.768 3.958 0 40 GHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)o1 862988 VJDHOFXCJJBYEG-UHFFFAOYSA-N 383.429 3.562 0 40 GHAB CN(C)S(=O)(=O)c1cccc(NC(=S)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1 102191194 PDYQAPFHXKRBLU-BEFAXECRSA-N 395.594 3.534 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccccn2)c(C)c1 1362723 HFMRATAOVPKNCC-UHFFFAOYSA-N 395.532 3.810 0 40 GHAB CCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccccn1 1362812 DXUMFAFEJZIBAG-UHFFFAOYSA-N 397.504 3.798 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c(c1=O)S[C@@H](C)C2 4107870 AAOFNMHFAXXNOC-LBPRGKRZSA-N 389.546 3.648 0 40 GHAB COCCN(C(=O)CCc1ncc(-c2ccc(C)c(C)c2)o1)[C@@H]1CCSC1 32817450 ZVWARABDXZOSED-GOSISDBHSA-N 388.533 3.872 0 40 GHAB COc1ccc2nc(SCC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[nH]c2c1 4252239 PSDGEGOKQAXCQO-UHFFFAOYSA-N 399.472 3.868 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 32909941 NNRGBQJIPWPIKQ-UHFFFAOYSA-N 381.234 3.731 0 40 GHAB O=C(/C=C/c1nc2ccccc2s1)OCCCn1c(=O)[nH]c2ccccc21 7989263 GXYWTHSMCGTUPL-ZHACJKMWSA-N 379.441 3.586 0 40 GHAB O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(F)cc1 8417043 OWXAMNAMCIIINT-UHFFFAOYSA-N 392.814 3.770 0 40 GHAB Cc1ccc(C2=N/C(=C/c3ccccc3I)C(=O)O2)cc1 33397688 HEBPQSHMQVHOJX-XNTDXEJSSA-N 389.192 3.944 0 40 GHAB CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCCSCc1ccccc1 72280885 TWSKEYIKKLTVOM-HXUWFJFHSA-N 384.545 3.564 0 40 GHAB O=C(Cc1cccs1)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1 693042 LXEUBHSFTPRADX-UHFFFAOYSA-N 380.425 3.880 0 40 GHAB Cc1ccc(-n2nnnc2-c2cnc(-c3ccncc3)nc2C(F)(F)F)cc1 721449 HKGXEZJYUIMSQI-UHFFFAOYSA-N 383.337 3.509 0 40 GHAB CN(C)C[C@H]1CCCCN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 103976433 SENSNBJXDVCSRB-QGZVFWFLSA-N 395.532 3.552 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F 24738473 QONRFRCMJGTBJL-UHFFFAOYSA-N 375.350 3.604 0 40 GHAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N4CCN(C)CC4)cc3)sc2c1 22794941 OHGOGKWWFPWSMM-MRXNPFEDSA-N 394.544 3.846 0 40 GHAB O=C(Cc1csc(COc2ccc(F)cc2)n1)N1CCc2ccccc2C1 23234738 BPZOKEFHBZBCME-UHFFFAOYSA-N 382.460 3.989 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)OCc1nc(COc2ccc(F)cc2)no1 23372192 QVCRAMFRQCVZAD-UHFFFAOYSA-N 395.390 3.945 0 40 GHAB Cc1occc1-c1nnc(SC[C@@H]2CSc3nnc(-c4ccncc4)n32)o1 26033741 FEAURARPIBZEOM-LBPRGKRZSA-N 398.473 3.731 0 40 GHAB CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1F 57487507 OWLJKIBJGPUAPP-NSHDSACASA-N 391.493 3.593 0 40 GHAB CON(C)S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)C)cc2)cc1 44354367 VHJNAQVBPLXRLV-UHFFFAOYSA-N 390.505 3.563 0 40 GHAB CN(C)C(=O)c1ccc(NCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 10174866 MLQSHCGRYBTTGT-NRFANRHFSA-N 393.512 3.768 0 40 GHAB COc1ccc(CCNC(=O)N2CCc3cc(Br)ccc32)cc1 58171990 HVSYTCCYYCJSMA-UHFFFAOYSA-N 375.266 3.773 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)OCC(=O)N1CCc2ccccc21 3305720 VZFZKGJMKRQWKE-UHFFFAOYSA-N 380.227 3.505 0 40 GHAB COc1ncccc1CNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 58366948 RHXZDLQYHJOERU-UHFFFAOYSA-N 376.460 3.610 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(CC(=O)N[C@H]2CCCc3ccccc32)CC1 58447215 VTOWZCKBJXTYMT-NRFANRHFSA-N 397.950 3.964 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccccc2Cl)cc1 3370723 HLBOYRIRBBACIW-BWODNOAJSA-N 386.835 3.882 0 40 GHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(Br)cc1F 2203151 RONZZIINVKPAAM-HNNXBMFYSA-N 382.185 3.887 0 40 GHAB Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1Cc1ccccc1 2291552 GLXCJKQXUKHFLI-UHFFFAOYSA-N 397.438 3.738 0 40 GHAB CC1CCN([C@@H](CNC(=O)COc2ccc(F)cc2)c2cccs2)CC1 28293505 RHFPTNARIBBXCT-SFHVURJKSA-N 376.497 3.855 0 40 GHAB CCOc1cc2c(cc1N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)O[C@@H](C)C2 11037806 ITBZCWQEWMUTLF-ZSEKCTLFSA-N 384.451 3.980 0 40 GHAB CCOc1cc2c(cc1CNC(=O)CCc1nc3ccccc3[nH]1)O[C@H](C)C2 28794142 HKHUWSBQZHRSFS-CQSZACIVSA-N 379.460 3.534 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 12793110 KBGTYNDUPDCRPX-ZRDIBKRKSA-N 378.881 3.567 0 40 GHAB O=C(CCSc1nc(C2CC2)nc2ccccc12)NC(=O)NC1CCCC1 12738296 KPXHUKPMNRXYFH-UHFFFAOYSA-N 384.505 3.758 0 40 GHAB C[C@@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccc(F)cc1 12768896 QIPKCIASUOLEJH-CYBMUJFWSA-N 399.491 3.743 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccc(OC(F)(F)F)cc1 12755570 RNZUXLBPOISBAB-HNNXBMFYSA-N 396.365 3.567 0 40 GHAB COCc1cccc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)c1 48374845 FVNPUCVKJINVIS-NRFANRHFSA-N 382.504 3.799 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H](NC(=O)C1CCC(C)CC1)C(C)C 12867306 OIXIWDZSEKCHAH-VFUGHAIPSA-N 393.616 3.724 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)COc3cc(Cl)ccc3Cl)ccc21 12853827 ATYFBKGPCAJNLL-UHFFFAOYSA-N 379.243 3.920 0 40 GHAB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc2c(c1)OCO2 3474885 BXACXUUABJGDJN-SECBINFHSA-N 375.431 3.646 0 40 GHAB O=C(COC(=O)c1ccccc1Br)NCc1ccc(Cl)cc1 3506941 SMNZVXIBRIALKN-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB CS(=O)(=O)Cc1cccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1 12926028 LBQJKHWQKKNMTO-JOCHJYFZSA-N 393.508 3.945 0 40 GHAB CSc1ccc(N2C[C@@H](C(=O)N(C)Cc3ccc(F)c(F)c3)CC2=O)cc1 12978996 VFYKVMHHRCBSCB-AWEZNQCLSA-N 390.455 3.698 0 40 GHAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cc(Br)ccc1F 12993858 NTLDXAJYSSWMJD-UHFFFAOYSA-N 391.240 3.867 0 40 GHAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 5032775 UFGLZFFWZOQTAQ-UHFFFAOYSA-N 390.848 3.808 0 40 GHAB Cc1cccc(-n2c(S[C@@H](C)C(=O)N3CCOCC3)nc3ccccc32)c1 8725484 LEUCVSFLQHMLSQ-INIZCTEOSA-N 381.501 3.673 0 40 GHAB COC(=O)C[C@H](NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)c1ccccc1 8726545 IOGZCVLNZZDYSB-NRFANRHFSA-N 385.419 3.932 0 40 GHAB Cc1cc(OCC(=O)NC(C)C)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 5349217 MEDGUHSBEFJROX-UHFFFAOYSA-N 379.456 3.904 0 40 GHAB CC[C@@H](C(=O)NCc1ccccc1)N(C)Cc1ccc(Br)cc1 14124078 PMLWUNCPERPGAA-SFHVURJKSA-N 375.310 3.976 0 40 GHAB Cc1nc(CN2CCCN(CCc3cccc(Br)c3)CC2)cs1 96003727 RZGZGTHQBOQPSU-UHFFFAOYSA-N 394.382 3.964 0 40 GHAB COc1cc(/C=C\C(N)=O)cc(Br)c1OCc1cccc(F)c1 409416250 RFNAXQLEGMLRQD-WAYWQWQTSA-N 380.213 3.674 0 40 GHAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)N4CCC(O)CC4)c(C)c3cc2c1C 6624503 DDVTVRWNWWNRBV-UHFFFAOYSA-N 397.471 3.689 0 40 GHAB biogenic COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1sccc1C 4735621 MWFYKEJJSWTJCT-QGZVFWFLSA-N 383.473 3.885 0 40 GHAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(OC[C@H]2CCCO2)cc1 5982395 NTMLJTGFMSOIHY-GOSISDBHSA-N 386.835 3.903 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cnc4ccccc4n3)n2)cc1 7213276 UKKXBBMXTYEAII-UHFFFAOYSA-N 389.440 3.964 0 40 GHAB COc1cc(C)c(S(=O)(=O)N2CCc3cc4cc(C)ccc4nc32)cc1C 15841898 XCALAJZEWQIEFY-UHFFFAOYSA-N 382.485 3.920 0 40 GHAB CC(C)CCNC(=O)c1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 71282706 ZHTMAFJADMMEFW-UHFFFAOYSA-N 394.519 3.817 0 40 GHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)c1ccc(C)o1 7977664 FOAFWTBVRUHNBQ-UHFFFAOYSA-N 379.434 3.745 0 40 GHAB Cc1cc(C)n(CCCNC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)n1 9116019 KWFVMPOQVNQIFN-UHFFFAOYSA-N 387.487 3.967 0 40 GHAB NC1C[C@@H]2CCC[C@H](C1)N2C1CCN(Cc2ccccc2Br)CC1 97102800 QDPUTCLPVJTWEZ-JLYLLQBASA-N 392.385 3.758 0 40 GHAB Cc1nnc(SCC(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)n1Cc1ccccc1 9593420 YOOKDCLBJOMXRF-ZDUSSCGKSA-N 392.484 3.665 0 40 GHAB Cn1ccc2cc(C(=O)Nc3ccc(-n4cc(Br)cn4)nc3)ccc21 72403698 CCIYQKCSWTYJCD-UHFFFAOYSA-N 396.248 3.774 0 40 GHAB COc1cc(OC)c(NC(=O)COC(=O)c2ccccc2Cl)cc1Cl 9765909 LGUNKZYKMRBVDO-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB C[C@H](NC(=O)Nc1ccccc1OC[C@H]1CCCCO1)C(C)(C)CN(C)C 79062320 HBXWYUWTEBNARM-DLBZAZTESA-N 377.529 3.732 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 79075881 PMTKDRWOXIKQPA-NQIIRXRSSA-N 390.443 3.705 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2sc(N)nc2CC(C)C)cc1 89284931 HHPLRDVHOVSVOV-LBPRGKRZSA-N 375.494 3.670 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)NCCSC2CCCCC2)cc1Cl 20453021 QMGNNNLSNAPPPR-UHFFFAOYSA-N 390.958 3.507 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cc(C3CC3)nc3c2cnn3C)n1 36615939 IVSIXOHWIWNJEC-UHFFFAOYSA-N 386.459 3.901 0 40 GHAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccc(C)cc2)n1 35424921 NMQGBENRRGHKSC-IBGZPJMESA-N 393.491 3.835 0 40 GHAB biogenic,in-vitro O=C(c1cccnc1)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 72378144 BUUPGTBIIOVSKF-INIZCTEOSA-N 396.878 3.709 0 40 GHAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 211887471 ZFLJONKXURBACL-SFQUDFHCSA-N 382.441 3.760 0 40 GHAB O=C(NCc1ccc(CN2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 38831178 FJOHRHPOHZVCDS-UHFFFAOYSA-N 391.559 3.811 0 40 GHAB Cc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4cccs4)no3)ccn2n1 38652152 RHWHUVVBSIOMJA-UHFFFAOYSA-N 389.440 3.631 0 40 GHAB CC(=O)N1CCC(N2CCC(c3nccnc3Oc3cccc(F)c3)CC2)CC1 72363008 OATCDIVARJZYOC-UHFFFAOYSA-N 398.482 3.598 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 219293062 QBMKIHBOYWDDDG-SCLBCKFNSA-N 395.908 3.778 0 40 GHAB O=C(c1cncc(O)c1)N1CCC[C@H](n2cnc3cc(C(F)(F)F)ccc32)C1 72342107 ZKKUUPBFOZTTHU-AWEZNQCLSA-N 390.365 3.633 0 40 GHAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1Cl 48567796 ZMVXGFAUOUBYCU-UHFFFAOYSA-N 390.642 3.602 0 40 GHAB COC(=O)c1ccc(NC(C)(C)C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223409619 QSPYQJVYSWKOBB-UHFFFAOYSA-N 376.478 3.793 0 40 GHAB CCn1cccc1-c1noc(CNC(=O)Cc2ccc(SC(C)C)cc2)n1 225768890 UZXFLQQDGRKDDT-UHFFFAOYSA-N 384.505 3.917 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C 223879793 YOOWLAWIROOVMZ-SFHVURJKSA-N 384.495 3.929 0 40 GHAB COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(Cl)cc3)s2)cc1 135986708 FHJONJJIQDGHKS-UHFFFAOYSA-N 381.866 3.668 0 40 GHAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1cc(F)c(F)c(F)c1 49547011 UGWDDMNVMILDQZ-UHFFFAOYSA-N 388.345 3.634 0 40 GHAB COc1cccc([C@H](CNC(=O)c2ccc(Br)cc2F)N(C)C)c1 40012807 FAUNRZDWHMUSEW-KRWDZBQOSA-N 395.272 3.630 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCCCN2CCC[C@@H](C)C2)c(C)c1 225737256 FTEQNUBJOMENJP-OAHLLOKOSA-N 377.554 3.580 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc4c(c3)CCCC4)n2)cc1 225635602 CKQNNHIAZHSFLY-UHFFFAOYSA-N 377.444 3.896 0 40 GHAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 47081072 NVVYHMJLWTWAGW-AEFFLSMTSA-N 398.528 3.856 0 40 GHAB CCN(Cc1ccc(C(=O)NCCC(C)C)cc1)S(=O)(=O)c1ccccc1 224448744 BEXVTTGALUCVRT-UHFFFAOYSA-N 388.533 3.673 0 40 GHAB COc1ccc(C(=O)N2CCOCC2)cc1COc1ccc2ccccc2c1 224316884 SFSABRSBVFPNND-UHFFFAOYSA-N 377.440 3.900 0 40 GHAB O=C(CCNC(=O)c1ccc2sc(Cl)nc2c1)Nc1ccccc1F 225979664 YMINWANQFNOAIE-UHFFFAOYSA-N 377.828 3.847 0 40 GHAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 223289242 RYNQCOCGTFADRL-RUDMXATFSA-N 385.272 3.553 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NCCSCc1ccccc1C 224551121 TVKWXXDYJWMEMM-UHFFFAOYSA-N 385.938 3.869 0 40 GHAB CCOC(=O)c1cn(Cc2ccccn2)c2cc(C(F)(F)F)c(F)cc2c1=O 199801850 POHKSQPVZVFOOX-UHFFFAOYSA-N 394.324 3.779 0 40 GHAB O=C(NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)c1ccc(F)c(F)c1 98212925 GWEDSISWINZIKU-UHFFFAOYSA-N 382.414 3.754 0 40 GHAB O=C(c1cccnc1)N1CCC[C@@H]1c1nnn2cc(Nc3ccccc3)ccc12 96156576 XMPGPBLTJKUUSP-LJQANCHMSA-N 384.443 3.845 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CC12CCOCC2 96078684 PCKWJKXGFHHWMD-IBGZPJMESA-N 397.450 3.725 0 40 GHAB O=C(N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 247777870 YQFKPLSZLFKERW-IMOWGURISA-N 379.504 3.600 0 40 GHAB Cc1ccc([C@H](O)CN2[C@H]3CC[C@H]2CC(O)(c2ccc4c(c2)OCO4)C3)c(C)c1 247890966 VJSAVHCQKDQINS-IRFCIJBXSA-N 395.499 3.580 0 40 GHAB CCn1ccc2cc(C[C@@H]3CCCN(C(=O)c4cccc(O)n4)CC3)cnc21 257271385 MYBBRNCPJUYGKS-MRXNPFEDSA-N 378.476 3.642 0 40 GHAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 257291714 QIHYOIQIBJECQL-YDHSSHFGSA-N 383.511 3.989 0 40 GHAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)cn1 257238647 HLXMJNMWHLDUHQ-OAHLLOKOSA-N 395.438 3.984 0 40 GHAB Cc1cccc(-c2ccc(-c3nc([C@@H]4CC(=O)N(CC5CC5)C4)no3)n2C)c1 650221914 XUONXBZZOAPFGJ-QGZVFWFLSA-N 376.460 3.776 0 40 GHAB CCSc1ccccc1C(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96099503 KYKHUXGBMNFZJK-UHFFFAOYSA-N 393.530 3.611 0 40 GHAB COc1cccc(NC(=O)Nc2ccc(N3CCC[C@H](OC)C3)cc2)c1OC 96122514 DNGDLZKFAAQFMN-KRWDZBQOSA-N 385.464 3.963 0 40 GHAB CSc1nc(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)c2ccccn12 58760512 YBLXYGYETUMEHB-UHFFFAOYSA-N 397.500 3.535 0 40 GHAB Cc1cc(CN2CCC(c3cc(O)nc(-c4cccnc4)n3)CC2)cc(C)c1O 72392794 DPDSVKBFAZAJGL-UHFFFAOYSA-N 390.487 3.946 0 40 GHAB O=C(Nc1csnc1-c1cccc(C(F)(F)F)c1)[C@@H]1OC[C@H]2COCC[C@H]21 567466202 WCACCMOOPWBAGP-AXAPSJFSSA-N 398.406 3.819 0 40 GHAB O=C1C[C@@H]2CCN(C(=O)c3cccs3)C[C@@H]2CCOc2ccc(F)cc2N1 1534646426 LLABMJCNIQGSOE-KBPBESRZSA-N 388.464 3.777 0 40 GHAB C[C@H](OC(=O)CSc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cn1 5268278 PTDHPFBWUHFFIW-LBPRGKRZSA-N 390.892 3.886 0 40 GHAB CCn1c(N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)nc2ccccc21 12145798 RRZRAYZDPMFCDL-UHFFFAOYSA-N 394.494 3.771 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC1CCCC1 12818045 ODUIJZZZFVWIHB-UHFFFAOYSA-N 376.453 3.607 0 40 GHAB CSc1nc2nc(C)c(CC(=O)Nc3cc(Cl)cc(Cl)c3)c(C)n2n1 12871586 FLGISOKUZDYBKQ-UHFFFAOYSA-N 396.303 3.951 0 40 GHAB Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c(C)c1 13761827 CDMHSMOZNZFYIK-UHFFFAOYSA-N 395.406 3.822 0 40 GHAB O=C(NCCc1cccs1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 17909790 NZZHGDYYKCUOEG-UHFFFAOYSA-N 386.498 3.521 0 40 GHAB O=C(N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1)C1(c2ccccc2F)CC1 19347886 KPTBIZHZVAUOEP-UHFFFAOYSA-N 391.446 3.500 0 40 GHAB Fc1ccccc1OCCCN1CCC(c2nnc(-c3cccnc3)o2)CC1 19368110 MOCSZIHJAPJRKE-UHFFFAOYSA-N 382.439 3.919 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 164954748 FBXQRPKINTXKCC-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB COc1ccc2oc(=O)c(C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)cc2c1 4745125 HZUHIXGZCVINQX-LLVKDONJSA-N 386.787 3.883 0 40 GHAB biogenic C[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccccn2)cc1 12221992 PDKFGSBDDQLORA-YJBOKZPZSA-N 387.487 3.544 0 40 GHAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cc3ccccc3[nH]2)C[C@H](C)O1 27986156 KGNJDBRHRMJBQL-GJZGRUSLSA-N 377.444 3.670 0 40 GHAB CCOC(=O)c1ccc(N[C@H](C)CCN2CCN(c3cccc(C)c3)CC2)nc1 29621014 IXJYNCZAYZNKEM-LJQANCHMSA-N 396.535 3.579 0 40 GHAB CCCn1nc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)ccc1=O 31969010 FGCYLNYKSVNABR-FQEVSTJZSA-N 381.863 3.826 0 40 GHAB O=C(c1cncc(F)c1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1775995314 NMIINPCNSGWXPC-UHFFFAOYSA-N 383.345 3.566 0 40 GHAB CCCOc1ccccc1CN1CCC2(CC1)CC(=O)NCc1ccccc1N2 2037978397 UXIMBGRFNXGFCM-UHFFFAOYSA-N 393.531 3.942 0 40 GHAB Cc1cc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(C)c1Cl 1085576 NHZJWRWLAUYXTG-UHFFFAOYSA-N 399.878 3.772 0 40 GHAB CC(=O)c1s/c(=N\c2ccc(C)c(C)c2)n(CCCN2CCOCC2)c1C 5299004 GKTIFDASCYEFDS-DQRAZIAOSA-N 387.549 3.632 0 40 GHAB Cc1ccc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)c(C)c1 6915291 OTFWLZCIHRNYHW-UHFFFAOYSA-N 383.448 3.719 0 40 GHAB O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc2ccccc2s1 10218873 SBQULOVKLBHYSB-UHFFFAOYSA-N 378.450 3.628 0 40 GHAB Cc1ccc(-n2ccnc2N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 11695664 NMOWAUSLSSOMFV-UHFFFAOYSA-N 394.906 3.725 0 40 GHAB O=C(Nc1ccccn1)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 22483478 LAXOIPMSDFVZIY-MRXNPFEDSA-N 377.423 3.533 0 40 GHAB COc1cc(NC(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc(OC)c1 22766969 NKNZUDOXOMDAHV-SFHVURJKSA-N 375.494 3.724 0 40 GHAB Cc1ccc(-n2ncc3c(C)nnc(SCC(=O)NC4CCCCC4)c32)cc1 38488212 HWINAIAWBLSPIG-UHFFFAOYSA-N 395.532 3.973 0 40 GHAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccccc3Br)cc12 4032915 IVPCSKYYPKVGNI-UHFFFAOYSA-N 399.288 3.880 0 40 GHAB COc1cc(C(=O)Nc2ccn(-c3ccncc3)n2)ccc1OC1CCCC1 71027402 RFQIFILPHZNQLP-UHFFFAOYSA-N 378.432 3.850 0 40 GHAB O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)[C@H]1CC=CCC1 40107810 XFCCSONPKDGERX-WMLDXEAASA-N 380.410 3.841 0 40 GHAB COCc1cccc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1 31785534 PSZJGHVIKZVQSC-UHFFFAOYSA-N 376.859 3.584 0 40 GHAB O=C1Nc2ccc(F)cc2[C@@]12CC(O)=Nc1c2cnn1-c1ccc(Cl)cc1 20735694 LAXPYIKUILOCLC-LJQANCHMSA-N 382.782 3.895 0 40 GHAB O=C(O)[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc12)N1CCSCC1 20726865 SEKMWZMPAMZBNQ-HXUWFJFHSA-N 382.485 3.921 0 40 GHAB CCOc1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 2639454 VWQAGFRDDPHPIB-UHFFFAOYSA-N 384.413 3.839 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N1CCCCC1 779300 OVTUQXOXDRVSGQ-UHFFFAOYSA-N 382.489 3.691 0 40 GHAB COc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)c1 1343612 QQUFNPGWARLHCC-LJQANCHMSA-N 381.432 3.533 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)c(C)c1 1362559 ZHARCFUWIVWBQF-UHFFFAOYSA-N 395.532 3.907 0 40 GHAB O=C(NC1CCCCC1)[C@H](c1ccco1)N(Cc1ccco1)C(=O)C(F)(F)F 1366025 BVJDTXXFFPWQDU-INIZCTEOSA-N 398.381 3.954 0 40 GHAB CC[C@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 1368029 XZPAVEZOLHXTHF-LBPRGKRZSA-N 391.562 3.747 0 40 GHAB Cc1cc2nnc(SCC(=O)CC(=O)Nc3ccccc3)n2c2ccccc12 2072197 ALAFHTGQLCMMOH-UHFFFAOYSA-N 390.468 3.881 0 40 GHAB CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Cl)cc1Cl)C[S@](=O)C2 4106176 FDORYNXUCFJSAU-XMMPIXPASA-N 386.304 3.960 0 40 GHAB CC(C)COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 4332804 YTCUAIYMJMVAFB-ZDUSSCGKSA-N 376.840 3.954 0 40 GHAB CC(=O)c1cc(Br)ccc1OCC(=O)N(C)Cc1ccc(F)cc1 6784651 HCJYOOIHQNDQSE-UHFFFAOYSA-N 394.240 3.828 0 40 GHAB C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C)c1ccc2c(c1)CCCC2 7191833 LWWWALFTNWZXEK-CQSZACIVSA-N 396.516 3.923 0 40 GHAB Cc1ccc2cccc(NC(=S)NC(=O)c3ccc4nsnc4c3)c2n1 7388834 VANMNKKASSTWET-UHFFFAOYSA-N 379.470 3.675 0 40 GHAB CCCn1nc(C(=O)Nc2cccc(Cl)c2N(C)C)c2ccccc2c1=O 32925789 VVWYEYLTQAAOMJ-UHFFFAOYSA-N 384.867 3.778 0 40 GHAB Cc1c(C(=O)N[C@H](C)c2ccccc2)nnn1-c1ccc(Br)cc1 51318011 GRWRBHUCKBFKHU-GFCCVEGCSA-N 385.265 3.829 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 8414420 IBTVDDWYEBUQNQ-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB CCOc1ccc2nc(NC(=O)c3cc(OC)c(OC)cc3OC)sc2c1 683136 UAKHBAMMNCJNLX-UHFFFAOYSA-N 388.445 3.973 0 40 GHAB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 59513564 LLMCKCPEWWTCNX-UHFFFAOYSA-N 386.502 3.914 0 40 GHAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1 835216 GZTAZMVPDMRJHQ-UHFFFAOYSA-N 380.469 3.905 0 40 GHAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccncc1 897220 OQVOZXCWIVZXTQ-UHFFFAOYSA-N 375.457 3.761 0 40 GHAB Cc1cc(OCC(=O)OCC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)ccc1Cl 103086213 GYOXBQBCIJQOTO-YCRPNKLZSA-N 393.911 3.998 0 40 GHAB COCc1c(C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)oc2ccccc12 42674084 MZZWPLKDOPPBKF-IBGZPJMESA-N 382.460 3.621 0 40 GHAB C[C@@H](NC(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccc(F)c(F)c1 24094006 QVEMBYNLJPCDHJ-LLVKDONJSA-N 382.357 3.630 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3oc4ccccc4c3C)CC2)cc1OC 24601767 UTGHOLKVERQQDY-UHFFFAOYSA-N 394.471 3.716 0 40 GHAB C[C@H](NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1)[C@H]1C[C@H]2CC[C@H]1C2 108833676 CQXMBIFZBHZLIH-XDQVBPFNSA-N 397.924 3.849 0 40 GHAB COc1ccc(C(=O)NCCc2nc3ccccc3n2CC(C)C)cc1OC 12538677 KWHZBSCSBYCLJP-UHFFFAOYSA-N 381.476 3.682 0 40 GHAB CCC[C@@H](C)NC(=O)CSc1nc(-c2ccco2)nc(C)c1C(=O)OCC 25044738 QIINFQYUSPXTKP-GFCCVEGCSA-N 391.493 3.619 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 20491283 PYHXNBRBUKPOJH-HNNXBMFYSA-N 399.443 3.591 0 40 GHAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)Cc4ccc(F)cc4)CC3)n2n1 100159359 XMFUMWUYNVJBMQ-HDICACEKSA-N 380.467 3.810 0 40 GHAB CN(C)CCN(Cc1cccnc1)Cc1ccccc1OCc1ccccn1 22931564 KNQKDNXAQOZTNP-UHFFFAOYSA-N 376.504 3.619 0 40 GHAB COC(=O)[C@H]1C(=O)[C@@H](Sc2ccc(Cl)cc2)C(=O)C[C@@H]1c1ccccc1 101034466 GDCAUZKTHGMTTM-SUMDDJOVSA-N 388.872 3.916 0 40 GHAB CN(Cc1ccccc1F)C(=O)CN1CCO[C@@H](c2ccc(Cl)cc2)C1 52247689 DGMPQWGLIUFRRK-LJQANCHMSA-N 376.859 3.511 0 40 GHAB COc1cc(N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)ccc1N1CCCC1=O 57963080 NTPTYIBSXDWGFT-HZPDHXFCSA-N 393.487 3.600 0 40 GHAB COc1cccc2cc(-c3csc(CCn4nc(C)cc4C)n3)c(=O)oc12 3253426 IROZFOBRQVDEGQ-UHFFFAOYSA-N 381.457 3.981 0 40 GHAB Cc1ccnc(NC(=O)c2ccn(COc3ccc(-c4ccccc4)cc3)n2)n1 27972058 YHWMFKJONNADJK-UHFFFAOYSA-N 385.427 3.937 0 40 GHAB CCC(CC)(NS(=O)(=O)c1ncn(C)c1Cl)c1ccc(Cl)cc1 58278757 ZNLKHFGGMCYPFK-UHFFFAOYSA-N 376.309 3.721 0 40 GHAB Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 12630765 BVVRGCDEXXWVJE-UHFFFAOYSA-N 396.497 3.920 0 40 GHAB CCOc1ccc([C@H](C)NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 10978787 FYDHDUZUFUJUHB-HNNXBMFYSA-N 391.471 3.948 0 40 GHAB CCSc1nc(N2CCOCC2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2402981 FGUQDHLITNPGLP-SFHVURJKSA-N 379.551 3.881 0 40 GHAB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(-c3ccccc3)cc2n(C)c1=O 2409754 MZDUJSRNINITEF-UHFFFAOYSA-N 387.483 3.992 0 40 GHAB CCCOc1ccc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)cc1 12794085 SZXHMGNMSZLBMQ-UHFFFAOYSA-N 376.460 3.905 0 40 GHAB C[C@H]1Cc2cc(C(=O)N[C@H](C)c3cccc(Cl)c3)ccc2N1S(C)(=O)=O 12776380 RSYFOUSNQKJFJD-QWHCGFSZSA-N 392.908 3.542 0 40 GHAB O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2c[nH]c3ccccc23)o1 3519967 QXHDEVHYKRZONG-UHFFFAOYSA-N 390.424 3.606 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 12928423 GKYJDBFKRNUGBP-UHFFFAOYSA-N 396.299 4.000 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1 12932286 XTOGTMIYOSAZKC-UHFFFAOYSA-N 396.871 3.791 0 40 GHAB CN(C)C(=O)CNc1ncnc2scc(-c3ccc(Br)cc3)c12 8728467 DPMOFECLYXPHTR-UHFFFAOYSA-N 391.294 3.621 0 40 GHAB Cc1nnc(COC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)o1 39190050 BWQKBBVTPSVPGP-KRWDZBQOSA-N 399.834 3.636 0 40 GHAB O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)[C@H]1COCCO1 65092562 ZWSPKDHFIAIUOT-MRXNPFEDSA-N 385.313 3.991 0 40 GHAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)N(c2ccccc2Cl)C(=O)N=C1O 9015975 ARKBBELJGYVKFG-HXUWFJFHSA-N 383.835 3.750 0 40 GHAB CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccs1 4516590 MKEKOJBQIIVXAF-UHFFFAOYSA-N 384.530 3.704 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1 4571986 IXCQNLZGTMKMHI-CQSZACIVSA-N 395.484 3.995 0 40 GHAB COc1cc(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)cc(Cl)c1OC 5429761 RNUBRZHSALKYRR-LBPRGKRZSA-N 377.824 3.566 0 40 GHAB O=C(/C=C/c1cccs1)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 5451369 OLJSDADLVQRKGP-ONEGZZNKSA-N 386.786 3.793 0 40 GHAB Cc1ccccc1[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 20043463 FDMXUNOFTYCVAX-OAQYLSRUSA-N 394.496 3.886 0 40 GHAB CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl 6664025 YPHSIKZPEAKRHI-IBGZPJMESA-N 383.879 3.689 0 40 GHAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1F 6608881 RXWDJOHHZNULOO-INIZCTEOSA-N 380.872 3.969 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccccc2)N1C[C@H]1CCCO1 6752750 FEBVRARWOYOJEP-VFNWGFHPSA-N 375.428 3.507 0 40 GHAB COc1ccc(-c2nc(CC(=O)NCCc3ccccc3)cs2)cc1OC 6760040 YIEFNIWCFSPTLT-UHFFFAOYSA-N 382.485 3.729 0 40 GHAB Brc1cccc([C@H]2CN(Cc3cccc4c3OCCO4)CCO2)c1 60320651 WNMFIAQQTKWBQH-GOSISDBHSA-N 390.277 3.794 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N3c4ccccc4C[C@H]3C)cc2)n1 6887093 CPFGSWOZMUFSPM-MRXNPFEDSA-N 389.455 3.624 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 9237235 QQLTZVPOVWVYOW-MOPGFXCFSA-N 393.516 3.910 0 40 GHAB CCN(CC)C(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 9239039 VUKKSQHLQDSKMP-MSOLQXFVSA-N 393.516 3.573 0 40 GHAB CCOc1cc(CNC(=O)c2n[nH]nc2Nc2ccc(C)c(C)c2)ccc1OC 67284004 RVWICUKJVILJED-UHFFFAOYSA-N 395.463 3.502 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 7348692 MPXJNBCCWSRBHC-UHFFFAOYSA-N 383.835 3.565 0 40 GHAB CC(=O)N1CCC(NC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)CC1 68178055 GCHQHSRIFRUJBS-HXUWFJFHSA-N 386.879 3.587 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccn2)N1c1nccs1 9328194 XSVMCTMLENZQND-OAHLLOKOSA-N 379.372 3.533 0 40 GHAB O=Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)cc1 409179349 QPCPCINVLCMTEU-UHFFFAOYSA-N 396.624 3.711 0 40 GHAB Cc1cccc(N(CCCC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 8050295 UKEWKZFJNPAGSJ-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB NC(=O)CSc1nnc(SCCOc2ccc(Cl)cc2Cl)s1 16856918 FHHCLRZQJHFFEU-UHFFFAOYSA-N 396.346 3.593 0 40 GHAB CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(Cl)s1 9485299 MDULIGBZHMHVFZ-UHFFFAOYSA-N 394.880 3.583 0 40 GHAB Cc1cc(NC(=O)Nc2ccn(CC(F)F)n2)nn1-c1ccccc1Cl 97164760 PDDUELUNXAHYDX-UHFFFAOYSA-N 380.786 3.940 0 40 GHAB Cc1nc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)sc1CC(N)=O 9579164 MPXAHILXMQXVMU-MRVWCRGKSA-N 384.567 3.575 0 40 GHAB CN(Cc1ccco1)C(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 72306889 DUOMLRHUZKHTRF-QGZVFWFLSA-N 377.282 3.838 0 40 GHAB COc1cccc(-c2nsc(NC(=O)C[C@H]3OCCc4ccsc43)n2)c1 95349310 NVHQHHMIAMBSAK-CQSZACIVSA-N 387.486 3.918 0 40 GHAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2cccnc2)c1 89522734 HKAGVILCXMHJGD-LJQANCHMSA-N 389.459 3.651 0 40 GHAB S=C(NCCN1CCOCC1)c1cccc(OCc2ccccc2Cl)c1 408575246 NJRNLDKWPWHTJY-UHFFFAOYSA-N 390.936 3.516 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38834594 PXCAXGRELGJKCN-QGZVFWFLSA-N 384.451 3.853 0 40 GHAB CC1=NN=C(Cc2ccccc2)CN=C1S(=O)(=O)Nc1ccc(Cl)cc1 32611930 KDCHREICDFFBCD-UHFFFAOYSA-N 388.880 3.553 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@H]2CCN(C(=O)c3oc(C)nc3C)C2)n1 72384115 JESBUIRLSDPLRE-INIZCTEOSA-N 378.432 3.812 0 40 GHAB COc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3cscn3)C2)n1 72362645 YYBFKBJKNLHSAG-CQSZACIVSA-N 396.472 3.754 0 40 GHAB Cc1cccn2cc(CC(=O)N3CCC[C@H](c4nc5c(s4)CCCC5)C3)nc12 532874224 BDDLRTBDQVQAPN-INIZCTEOSA-N 394.544 3.927 0 40 GHAB COc1ccccc1Nn1c(N)nn(CC(=O)c2c(C)cc(C)cc2C)c1=S 36625693 MNHWJBUJTFVLCA-UHFFFAOYSA-N 397.504 3.688 0 40 GHAB CC(C)CNS(=O)(=O)c1cc(C(=O)O)ccc1NCCC1=CCCCC1 217423470 BDXJNTZCGWQYNA-UHFFFAOYSA-N 380.510 3.622 0 40 GHAB CC[C@H](C(=O)N(C)C1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 216483197 WCAKXYYVQHDNBO-QGZVFWFLSA-N 386.945 3.676 0 40 GHAB COc1cccc(-c2cc(C(=O)N3CCC(c4nnc(C(C)C)o4)CC3)[nH]n2)c1 38518109 ITXNOBSJOCCQMY-UHFFFAOYSA-N 395.463 3.612 0 40 GHAB CC(C)CCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1 217452473 ZDCYLKCJTGLPKK-UHFFFAOYSA-N 382.526 3.844 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 222950591 PLPOZYBQPJYTOI-NRFANRHFSA-N 382.504 3.707 0 40 GHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)[nH]1 223916303 IZMHHTYIXNANSZ-VQTJNVASSA-N 377.517 3.961 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCC(C)C)c2)cc1 224068590 LQPTVWZVXQIXHF-UHFFFAOYSA-N 396.896 3.535 0 40 GHAB Cc1ccc(-c2nnc3sc(NC(=O)CCc4ccccc4)nn23)cc1F 41076574 GLBVANHZXVCOLU-UHFFFAOYSA-N 381.436 3.872 0 40 GHAB Cc1cc(N)c(N2CCOCC2)cc1NC(=O)c1ccc(Cl)cc1Cl 226264293 YOIQNYNHGHQPMA-UHFFFAOYSA-N 380.275 3.973 0 40 GHAB CSc1ncc(-c2nnsc2C(=O)O[C@H](C)CCc2ccccc2)cn1 223854783 OQLHDSXRYPHSGE-GFCCVEGCSA-N 386.502 3.895 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 222394472 AQYBHLIRAXJPTO-GOSISDBHSA-N 384.545 3.700 0 40 GHAB COCc1cc(Cl)cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)c1 576274002 RZCUDKKTRHITBW-UHFFFAOYSA-N 380.775 3.701 0 40 GHAB O=C(Cn1ccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257210395 BULBWXGNFUBDHI-GOSISDBHSA-N 384.867 3.869 0 40 GHAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 257218581 DDPZNIWDDNZQDZ-MRXNPFEDSA-N 379.489 3.923 0 40 GHAB C[C@@H](c1cccnc1)N(Cc1ccc(-n2ccnc2)nc1)CC1CCOCC1 585084645 APNWLRLQXTXMNU-SFHVURJKSA-N 377.492 3.652 0 40 GHAB COc1cccc2c1OC[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C2 590623123 FNZFFNGTQQPRHQ-ZDUSSCGKSA-N 382.338 3.719 0 40 GHAB Cn1cc(CNc2cccc([C@@H]3CNC(=O)C3)c2)c(-c2cc(F)ccc2F)n1 1655956907 MNCBGXNMTAXDFV-AWEZNQCLSA-N 382.414 3.581 0 40 GHAB C[C@H](CNC(=O)c1cc(F)c2ncccc2c1)c1nc(-c2ccccc2)no1 1137926240 LSFUBZGHJDVPHP-CYBMUJFWSA-N 376.391 3.957 0 40 GHAB O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)N[C@@]12CCC[C@@H]1C2 664702126 OFDPWEDNRLVGIF-BFUOFWGJSA-N 395.425 3.552 0 40 GHAB O=C(NCCc1ccccc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607591 BHXJVLHQRLUGIM-UHFFFAOYSA-N 393.409 3.896 0 40 GHAB Cc1cn2c(CNC[C@@H]3CCc4nc(C(F)(F)F)cn4C3)c(C)nc2s1 681916079 LOVXVLMYPOWSLT-LBPRGKRZSA-N 383.443 3.580 0 40 GHAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CCN(CC(F)F)CC1 58406299 GUUPQKHHCHVHDY-SNVBAGLBSA-N 381.250 3.606 0 40 GHAB CCOc1ccccc1CN1CCC[C@H](c2cc(=O)[nH]c(-c3cccnc3)n2)C1 72393058 WJADEZTWNRYRHC-SFHVURJKSA-N 390.487 3.610 0 40 GHAB CCN(C(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O)c1ccc2[nH]ccc2c1 1616608447 RIGPWFCUXPWBKE-AWEZNQCLSA-N 375.428 3.514 0 40 GHAB CC(C)OCCCNCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O 12186386 CKXCGIGFPJVJMS-UHFFFAOYSA-N 396.535 3.916 0 40 GHAB CCc1cccc(C)c1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 14396752 YWWRPMWDFNHUBU-UHFFFAOYSA-N 392.496 3.881 0 40 GHAB O=S(=O)(c1cccc2nsnc12)N1CCC[C@@H]1c1ccc(Cl)cc1 15836344 IDTLIPHMGVASAW-CQSZACIVSA-N 379.894 3.871 0 40 GHAB COc1ccc(-c2cc(=O)[nH]c(NC(=N)Nc3cccc(Cl)c3C)n2)cc1 17078389 HNZYHTNYOPPHHA-UHFFFAOYSA-N 383.839 3.866 0 40 GHAB Cc1nccn1CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C 19288108 WPOFDQKEKQZMCO-ZDXQCDESSA-N 394.563 3.841 0 40 GHAB O=C(C1CC1)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 19293991 LOYVXIFYPZNJAK-UHFFFAOYSA-N 389.434 3.716 0 40 GHAB CC1(C)CC(O)CC(C)(C)N1C[C@@H](O)COc1ccc(Cl)cc1Cl 1473405 NYSLINFQAHKANM-CQSZACIVSA-N 376.324 3.747 0 40 GHAB Cc1ccc([C@H](C)C(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 12187456 PRIBYUCCGKUZOJ-INIZCTEOSA-N 391.475 3.653 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)NC12CC3CC(CC(C3)C1)C2 244947563 DMFTXRDEANJMMN-QQABJKMWSA-N 389.565 3.638 0 40 GHAB CO[C@]1(c2nnc(COc3cnc4c(Cl)c(Cl)ccc4c3)o2)CCOC1 585089141 GXIXVDVDRGVUKD-QGZVFWFLSA-N 396.230 3.766 0 40 GHAB CC(=O)c1c[nH]c(C(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)c1 39994120 OQWOBUGHYNGBPE-UHFFFAOYSA-N 383.429 3.554 0 40 GHAB O=C(c1cc2ccccc2oc1=O)N1CC[C@H](Oc2cccc3cccnc23)C1 244983858 IUEIFZSKOKRKSJ-KRWDZBQOSA-N 386.407 3.635 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3cc(F)cc(F)c3)C2)CN1c1ccc(F)cc1 2037977967 BFOGAGCNOQBSQL-NRFANRHFSA-N 390.405 3.502 0 40 GHAB COc1ccc([C@@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCCC3)cc1OC 2974511 SNLLKAPQNKPXSD-DEOSSOPVSA-N 395.523 3.971 0 40 GHAB CCOC(=O)[C@@H](C)Sc1nnc(NC(=O)c2c(F)cccc2Cl)s1 4079377 GNWVSZZQFVVRKE-SSDOTTSWSA-N 389.861 3.627 0 40 GHAB Cc1ccc(N2C(=O)N(c3ccccc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 4393701 MMIUQXPPPICGSU-ZWKOTPCHSA-N 390.892 3.569 0 40 GHAB Cc1c(C(=O)Nc2ccc(Br)cc2)nnn1-c1ccccc1F 4315720 XOJGZPSAEDPQAV-UHFFFAOYSA-N 375.201 3.730 0 40 GHAB CCOC(CNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1)OCC 10386334 IUVKRLZSQHCYQD-UHFFFAOYSA-N 375.860 3.588 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c(C)c1 11612709 JMGGEIKXCIOVNZ-GOSISDBHSA-N 386.517 3.875 0 40 GHAB COc1cccc(-c2cc(CNC(=O)C(=O)c3c(C)[nH]c4ccccc34)no2)c1 11613517 QYHDXZIMSOTZBL-UHFFFAOYSA-N 389.411 3.639 0 40 GHAB Cc1cc(C)c(OC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)c(C)c1 20347334 KJDBZXZSZPDGBP-OAQYLSRUSA-N 388.939 3.827 0 40 GHAB Cc1ccc(OC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 23115071 XPTPHCWVFYDMLF-IBGZPJMESA-N 394.437 3.576 0 40 GHAB CCC(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2OC)CC1 23181666 WNUHFYDYCLADRY-HRAATJIYSA-N 387.549 3.535 0 40 GHAB O=C(c1cccc2ccccc12)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 38727955 AULMGXWNAOLRRN-WOJBJXKFSA-N 390.508 3.989 0 40 GHAB C[C@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 225602690 GNVRMIGPZBDORS-GFCCVEGCSA-N 385.407 3.550 0 40 GHAB Cc1nn(CCNC(=O)Cc2ccc(F)cc2F)c(C)c1-c1ccsc1 575614828 JRFRMNYDYORMKS-UHFFFAOYSA-N 375.444 3.866 0 40 GHAB COC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc12 6275629 LWKPIMOOAORDIV-UHFFFAOYSA-N 383.400 3.510 0 40 GHAB biogenic O=C(Cc1scnc1-c1cccs1)N1CCN(c2ccc(F)cc2)CC1 15840274 QABRLJAMVPYCOZ-UHFFFAOYSA-N 387.505 3.902 0 40 GHAB O=C(CCc1ccccc1Cl)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30258436 GHUHEKQCUJRXBO-UHFFFAOYSA-N 389.858 3.788 0 40 GHAB CCCCC[C@H](C)NC(=O)CCS(=O)(=O)c1ccc(Br)cc1 40128590 SNBXKFBHZMANMY-ZDUSSCGKSA-N 390.343 3.698 0 40 GHAB O=C(N[C@@H](CC(=O)N(C[C@@H]1CCOC1)C1CC1)c1ccccc1)c1ccccc1 40107939 WGNCHRLKJAJTAZ-AVRDEDQJSA-N 392.499 3.575 0 40 GHAB O=C(Nc1ccc(Cl)cn1)c1ccc(F)cc1I 31702252 UYZYENPMWQIFAM-UHFFFAOYSA-N 376.556 3.731 0 40 GHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cccc(C(=O)OCC(C)C)c1 20719423 FTNSQYTVUNPQEP-LJQANCHMSA-N 385.416 3.798 0 40 GHAB C[C@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)C12CC3CC(CC(C3)C1)C2 18079747 XCOHEVDCHHIRND-SCUMNGBJSA-N 384.520 3.853 0 40 GHAB CC(C)NC(=O)NCc1ccc(C(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)cc1 29885068 WYAHIKCPLHHICR-BEFAXECRSA-N 383.492 3.883 0 40 GHAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccnc2Cl)c1C 2631176 NGRARFZMXGLLEM-UHFFFAOYSA-N 383.835 3.950 0 40 GHAB CSCC[C@H](C(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O 2634727 LSCIKRZBFSORME-MRXNPFEDSA-N 388.876 3.696 0 40 GHAB Cc1nc2ccc(NC(=O)Nc3ccc(N4CCOCC4)cc3)cc2nc1C 780579 QOWHJYPFJWOKOZ-UHFFFAOYSA-N 377.448 3.727 0 40 GHAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)NC5CC5)(C4)C2)C3)cc1C 101920810 QVJOSFIUVLWDRK-RDNZODCXSA-N 381.516 3.963 0 40 GHAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C(C)C)cc2)n2nnnc2N1 1291805 DRWPYIUZTCAQBN-IBGZPJMESA-N 381.480 3.961 0 40 GHAB CCC(C)(C)N1CC(=O)N(Cc2ccccc2)[C@H](c2ccc(OC)cc2)C1=O 1376127 FHELSWDWKFGFTP-OAQYLSRUSA-N 380.488 3.796 0 40 GHAB Cc1csc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)n1 2487626 KFAUNGFCLDJVOD-UHFFFAOYSA-N 395.282 3.921 0 40 GHAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(S(=O)(=O)NC)o3)ccc21 32801247 XYHISAHVMDGVAX-UHFFFAOYSA-N 397.456 3.568 0 40 GHAB COc1ccc([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C3=C2C(=O)OC3)cc1OC 4944670 ZDXWLUUPUBECMJ-QGZVFWFLSA-N 393.439 3.652 0 40 GHAB CC1=C(C(=O)Nc2cccc(Cl)c2C)[C@H](c2ccc(O)cc2)NC(=S)N1 4953340 OJQVBTBUGIVUTH-KRWDZBQOSA-N 387.892 3.786 0 40 GHAB COc1ccc(SCCC(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1 32847945 OXLMXQJMAAMLFP-UHFFFAOYSA-N 379.503 3.528 0 40 GHAB COc1ccc([C@@H]2N=C(Nc3cccc(C)c3C)Nc3nc(C)cc(=O)n32)cc1 7495777 MUTMVQFQVZPEHR-HXUWFJFHSA-N 389.459 3.618 0 40 GHAB O=C(c1ccccc1Oc1ccccc1)N1CCN(C(=O)N2CCCCC2)CC1 32900294 YPQCCMNNZJOZMZ-UHFFFAOYSA-N 393.487 3.843 0 40 GHAB Cc1ccc(CN(C)C(=O)COC(=O)COc2ccc(Cl)c(C)c2)cc1 8276726 HRGGNXBKDNBLKB-UHFFFAOYSA-N 375.852 3.537 0 40 GHAB Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCCCCC3)c(=O)[nH]c2c1 8578927 LILPEJIQTKKVCJ-LJQANCHMSA-N 394.523 3.543 0 40 GHAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1C 22200745 NANBEGVVMMQRTB-UZLBHIALSA-N 385.483 3.979 0 40 GHAB COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1O 646244 QQMGLZWNGLKDJC-UHFFFAOYSA-N 396.365 3.509 0 40 GHAB O=C1CN(C(=O)C2CCN(Cc3ccccc3Cl)CC2)c2ccccc2N1 9063256 MHVDBLFPKCPNEX-UHFFFAOYSA-N 383.879 3.537 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)c2csc(-c3ncccn3)n2)cc1OC 47246860 BJABJPFQRWOROR-OAHLLOKOSA-N 396.472 3.595 0 40 GHAB O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)N1CCCCCC1 2908566 KDZZFBDLRVSNTA-UHFFFAOYSA-N 399.541 3.942 0 40 GHAB CCOC(=O)c1cnn(-c2nnc(-c3ccc(C)c(C)c3)c3ccccc23)c1N 952922 VZHFGEUHGXHATG-UHFFFAOYSA-N 387.443 3.858 0 40 GHAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N[C@@H]2CCSc3ccccc32)CC1=O 23732190 BZZWZNOLJJUNOT-SZVBFZGTSA-N 380.513 3.949 0 40 GHAB Cc1sc2nc(SCc3cc(=O)n4c(C)csc4n3)nc(N)c2c1C 12539395 CIGBPCNEOBCTHZ-UHFFFAOYSA-N 389.531 3.560 0 40 GHAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccccc1 21595591 RJZBZIXMGGQLKP-UHFFFAOYSA-N 379.441 3.967 0 40 GHAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)o1 28242993 UAABCRCYEMLOIS-UHFFFAOYSA-N 376.416 3.972 0 40 GHAB Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 102139539 UAFQWEXSJXVBLA-BGJURXJTSA-N 399.446 3.772 0 40 GHAB COc1ccc([C@H](NC(=O)Cn2c(C)cc3ccccc32)c2nccn2C)cc1 12506885 ALQYGYCKXBTKBD-QFIPXVFZSA-N 388.471 3.598 0 40 GHAB Cc1nc(C2(NC(=O)Cc3nc(-c4cccs4)oc3C)CCCCC2)no1 25088245 IGNSRHIVBCXJCK-UHFFFAOYSA-N 386.477 3.921 0 40 GHAB Nc1nc(SCCn2c(=O)oc3ccccc32)nc2sc3c(c12)CCCC3 26029125 SFYYLTAPFCXDSK-UHFFFAOYSA-N 398.513 3.853 0 40 GHAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1cc(Cl)cc(Cl)c1 3316702 PBVRTWKUKFBEDS-UHFFFAOYSA-N 392.194 3.895 0 40 GHAB O=C(c1ccc(COc2cccc3ccccc23)o1)N1CCN2CCC[C@H]2C1 28226789 ONBFDJYVKJUZPK-SFHVURJKSA-N 376.456 3.932 0 40 GHAB CCN(CC)c1ccc(CNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cn1 58105801 JUKVSUDNFOFXBS-UHFFFAOYSA-N 383.883 3.901 0 40 GHAB Cc1ccc(-c2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)n2C)cc1 10264579 BPYIFIYETNQFLO-ZDUSSCGKSA-N 377.473 3.880 0 40 GHAB Cc1sc(=O)n(CC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1-c1ccc(F)cc1 58292302 GROIITDDWOSQFY-QZTJIDSGSA-N 382.460 3.697 0 40 GHAB CC(C)[C@H](NC(=O)NCc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)no1 58244433 ZZNUMMFUEBUULT-SFHVURJKSA-N 394.431 3.662 0 40 GHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 20109156 CCIQEWAWHBJPJM-IBGZPJMESA-N 379.460 3.589 0 40 GHAB COc1ccc(OCC(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 27991917 OQEWMAYINLPFEW-UHFFFAOYSA-N 382.485 3.865 0 40 GHAB O=C(Nc1cccc(I)c1)c1cc(O)nc2ccccc12 12766898 GXUHJGIJRNWYQV-UHFFFAOYSA-N 390.180 3.797 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CS[C@@H](C)C(=O)Nc3ccccc3)n2)cc1 11040330 DSXGZPCFFMOUJL-AWEZNQCLSA-N 394.504 3.766 0 40 GHAB Cc1cnc(C(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)cn1 12786827 AVINCZHUEDTJGX-UHFFFAOYSA-N 379.260 3.997 0 40 GHAB COC(=O)c1cc(-c2cccc(OC)c2)nc2cc(-c3ccc(F)cc3)nn12 36615658 CJYBMJSBEJYGRX-UHFFFAOYSA-N 377.375 3.998 0 40 GHAB CCc1ccc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 2428984 VSZBGXDEBVKXSC-UHFFFAOYSA-N 377.444 3.790 0 40 GHAB biogenic C[C@H]1CCCCN1CCCNC(=O)c1nccnc1-c1nc2ccccc2s1 8777408 PLMXEMSNJAKVNK-HNNXBMFYSA-N 395.532 3.748 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1OC 12925229 WWFMNECCHUJUNL-UHFFFAOYSA-N 381.375 3.885 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c1 408554515 SQASIAHDGWZEHI-MRXNPFEDSA-N 382.485 3.762 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2C)cc1 9584094 DNIZQIAALMMVEQ-BXWFABGCSA-N 395.569 3.656 0 40 GHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2Cl)N1C(C)=O 4044929 INLQEXNBBIYWNK-AZUAARDMSA-N 382.847 3.857 0 40 GHAB biogenic COc1ccc(CNCc2cccc(Oc3nnnn3-c3ccccc3)c2)cc1 13717693 ZCEQZLTYLBSMDR-UHFFFAOYSA-N 387.443 3.753 0 40 GHAB Cc1cccc(-n2ccnc2S[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 19298535 UFPUCBHIEZPFSD-HXUWFJFHSA-N 393.512 3.873 0 40 GHAB Cc1ccccc1-n1c(S[C@@H]2CCOC2=O)nc2cc(Cl)ccc2c1=O 5212518 DRBNNXXAMUCORS-MRXNPFEDSA-N 386.860 3.755 0 40 GHAB COc1ccc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)cc1OC 4519937 SYHFHGPHXLGOPF-HNNXBMFYSA-N 399.830 3.689 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)cc1 4590868 GEXSLAUCIGGGTE-UHFFFAOYSA-N 389.901 3.699 0 40 GHAB CC(=O)Nc1ccc(CC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1 14227326 BLSDWQVTLZOWLQ-HXUWFJFHSA-N 399.560 3.838 0 40 GHAB COC(=O)c1cc(=O)n(CCC(C)C)/c(=N/c2ccc(F)c(Cl)c2)s1 4698024 MTNHYTHINTZPRQ-JZJYNLBNSA-N 384.860 3.767 0 40 GHAB O=S(=O)(c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19597025 OCDSUQYYFNWFDM-UHFFFAOYSA-N 392.524 3.783 0 40 GHAB Cc1ccccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 4996659 QVYJVGQMKLZZMU-UHFFFAOYSA-N 392.411 3.944 0 40 GHAB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N[C@@H](C)c1ccccc1 5966364 JPNGYJJAORCCTF-STQMWFEESA-N 397.456 3.823 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O 7024034 RALYUHAFKBQRJY-WMLDXEAASA-N 381.501 3.820 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 7055707 ZXYDZKKPDDNNMD-UHFFFAOYSA-N 391.445 3.546 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)cc1 7509645 IPDIVWWXOQYENE-DYVFJYSZSA-N 388.851 3.563 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NC2CCCCC2)cc1 409177669 HSFSHQYNXFCNJN-UHFFFAOYSA-N 386.517 3.883 0 40 GHAB Cc1cc(OCC(=O)OCC(=O)Nc2ccc(F)c(F)c2)ccc1C(C)C 7974368 UWOYWQBGNNEQMK-UHFFFAOYSA-N 377.387 3.957 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC(F)F)cc3)sc2c1 8194412 JPHQSVRGINFMDZ-UHFFFAOYSA-N 398.412 3.554 0 40 GHAB CCCn1c(=O)n(CCC(=O)Nc2ccccc2N2CCCC2)c2ccccc21 16700209 MRRURIMWUQWQTB-UHFFFAOYSA-N 392.503 3.842 0 40 GHAB CC(=O)c1c[nH]c(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 8258474 UFMCKKJVXWZINA-UHFFFAOYSA-N 390.439 3.603 0 40 GHAB CC(C)[C@H](C)NC(=O)CSc1nnc(SCC(=O)c2ccccc2)s1 8419520 HOQQNIROBOHXOJ-LBPRGKRZSA-N 395.575 3.766 0 40 GHAB Cc1cc(=O)c(C(=O)O[C@H](C)c2c(F)cccc2F)nn1-c1ccccc1F 84072179 VLVAUSIYPTVMMZ-GFCCVEGCSA-N 388.345 3.876 0 40 GHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1ncc(-c2ccc(F)cc2)o1 9861591 KLEWABGFKJRCOY-JOCHJYFZSA-N 391.402 3.764 0 40 GHAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)c1c[nH]c2ccccc12 96923348 AQCFDBOQHRIKCQ-UHFFFAOYSA-N 390.512 3.778 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)cc1Cl 72301170 JVHFFGRNAMEQSA-UHFFFAOYSA-N 381.759 3.874 0 40 GHAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1ncc(C(C)(C)C)o1 72309347 SYNJOYYDOHGTLJ-SNVBAGLBSA-N 398.290 3.714 0 40 GHAB Cc1ccc(-c2nc(CN(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)co2)c(C)c1 29976202 IXOCFEROHFVVLE-MRXNPFEDSA-N 399.516 3.799 0 40 GHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@@H]1CSc2ccccc2O1 84583021 YTDGDZRQCQMXTI-INIZCTEOSA-N 397.418 3.935 0 40 GHAB O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1[nH]nc2c1CCCC2 97712283 VQZGFFXKZXVJTR-ZDUSSCGKSA-N 375.856 3.752 0 40 GHAB CC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN1CCN(C)CC1 22576631 DQVIJOCOLCADKE-RDPSFJRHSA-N 380.532 3.571 0 40 GHAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1C 409171393 AJURNIGTKRVSNG-UHFFFAOYSA-N 388.533 3.809 0 40 GHAB Cc1cc(=O)c(OCC(=O)N[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)co1 524734927 JYDKDAXVOIYWKV-INIZCTEOSA-N 386.835 3.656 0 40 GHAB Cc1sc2nc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)[nH]c(=O)c2c1C 72334899 AFPMGDAXQZDEHE-OAHLLOKOSA-N 399.491 3.689 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 35289353 MFPZWWPXWQNIEA-KRWDZBQOSA-N 396.871 3.579 0 40 GHAB C=CCOc1ccccc1/C=C1/SC(=S)N([C@H](CCC)C(=O)O)C1=O 35648509 NFSZRSHHXQDTKQ-WDGDVPDHSA-N 377.487 3.706 0 40 GHAB COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3C(=O)c3cccnc3)n2)cc1 72383759 CQVVLEXRORCPRI-IBGZPJMESA-N 390.443 3.958 0 40 GHAB CCOc1ccc(CNC(=O)COc2ccc(Br)c(C)c2)cc1 218826997 IRVOVHAYJUNISI-UHFFFAOYSA-N 378.266 3.851 0 40 GHAB COc1ccc(S[C@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 30848017 RKIMFAJAVVPBHY-MRXNPFEDSA-N 386.517 3.533 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(N2CCCC2=O)c1 219215526 JILYATGXJCIKDA-IBGZPJMESA-N 394.471 3.854 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1Cl 219214115 GRSJDSFGPHOJSD-UHFFFAOYSA-N 386.835 3.896 0 40 GHAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1 72377130 XAPDGZMSTAFINE-INIZCTEOSA-N 379.489 3.858 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 222729094 XUJVXNYLBGEFGK-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB COc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 224179864 NAPIUHNKSGOQQK-UHFFFAOYSA-N 390.288 3.500 0 40 GHAB Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c(C)c1 44850388 TULOTKTVFVNDHA-UHFFFAOYSA-N 386.517 3.871 0 40 GHAB Cc1cc(N)cc(Br)c1NS(=O)(=O)c1ccc(Cl)cc1 227144584 JVTYAPXXHSTDPF-UHFFFAOYSA-N 375.675 3.794 0 40 GHAB O=C(c1ccc2ccccc2n1)N1CCC(N2CCc3sccc3C2)CC1 225689452 VFDIWJMCNYFJOC-UHFFFAOYSA-N 377.513 3.959 0 40 GHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCCOC(C)C 222831963 OTXHZJMTPJQHIL-INIZCTEOSA-N 382.932 3.789 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2ccc(OCC)c(COCC(C)C)c2)CC1 224740348 MCXYQGDWSDRPEK-UHFFFAOYSA-N 391.508 3.673 0 40 GHAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CN=c1ccc2c(Cl)cccc2[nH]1 568812257 UXGPPSGMNBLZLU-GJZGRUSLSA-N 388.874 3.939 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2N)CC1 226263541 BHWCKYSKZNMHFD-UHFFFAOYSA-N 393.318 3.970 0 40 GHAB Cc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)cc1C 44792144 VKQVVVAKERYZEM-UHFFFAOYSA-N 395.484 3.532 0 40 GHAB C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc2c(c1)CCC2 223216618 FNMHNQNWEZKFEF-LBPRGKRZSA-N 392.908 3.691 0 40 GHAB COc1cc(C)c(S(=O)(=O)N[C@H]2CCCc3cc(OC)ccc32)c(C)c1 225436687 HPMJFUUJGRSUDQ-IBGZPJMESA-N 375.490 3.677 0 40 GHAB Cc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)c(Br)c1 223094237 RYMODHGZFXXLLD-UHFFFAOYSA-N 383.245 3.881 0 40 GHAB CN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1)S(C)(=O)=O 223113224 IAMMSROCAOFXRC-OAHLLOKOSA-N 387.288 3.565 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1nccc(N2CCCCC2)n1 224161339 BDISZPOJWKBBAC-UHFFFAOYSA-N 393.516 3.829 0 40 GHAB CN(CCOc1ccc(F)cc1)C(=O)[C@H]1CC(c2ccccc2Cl)=NO1 141581071 MDWULBWJTNHRCV-GOSISDBHSA-N 376.815 3.510 0 40 GHAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)c(OC)c1 95477081 BPSCGQBDYSPNIO-KRWDZBQOSA-N 389.477 3.733 0 40 GHAB Cc1cc(N2CCC(CNC(=O)c3ccc(OC(F)(F)F)cc3)CC2)ccn1 245171673 XPIANDKGOJPZPC-UHFFFAOYSA-N 393.409 3.935 0 40 GHAB O=C(Cc1cccs1)N1CCO[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257232626 GLRRMBNICABFIV-GOSISDBHSA-N 386.448 3.609 0 40 GHAB C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)c2ccncc2)C1 257207196 BGTHYXVCFVONDW-JOCHJYFZSA-N 379.435 3.993 0 40 GHAB Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3O2)o1 257207279 BHBTVKSATJLZAR-JKZBKNAJSA-N 394.471 3.549 0 40 GHAB CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNC(=O)c4cnccn4)CC3)n2n1 257311599 UKGPFLFXOMREMY-WKILWMFISA-N 392.507 3.521 0 40 GHAB Cc1ccccc1Cc1cccc([C@H]2CN(Cc3cnn(C)c3C)CCO2)n1 257327980 XDQYCNBLKXXWPU-HSZRJFAPSA-N 376.504 3.596 0 40 GHAB CN(C)c1cc([C@H]2CCCN2C(=O)C2(Cc3ccccc3)CCOCC2)ccn1 257242785 IECYMHXFDXEITK-OAQYLSRUSA-N 393.531 3.851 0 40 GHAB Cc1c(CNC(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)oc2ccccc12 664132549 LBQJYPDLTIYQMY-DYESRHJHSA-N 394.475 3.677 0 40 GHAB Cn1nc(C(F)F)c2cc(C(=O)N[C@@H]3CCc4cc(O)ccc4C3)sc21 684331028 LSYHMHQPOBEWMO-LLVKDONJSA-N 377.416 3.565 0 40 GHAB O=C(NC[C@@](O)(c1ccoc1)c1ccco1)c1csc(-c2ccccc2)n1 390826475 MEDOBVATQNXZKA-HXUWFJFHSA-N 380.425 3.662 0 40 GHAB CC(C)C[C@@H](O)C(=O)N1CCC[C@]2(CCCN2Cc2ccc(F)cc2)CC1 585100399 OWRHDWLJQHEVPC-IRLDBZIGSA-N 376.516 3.580 0 40 GHAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)NCc1ccoc1 47776175 WJHWNQOYXYUEMO-UHFFFAOYSA-N 395.415 3.871 0 40 GHAB CC(=O)N1CC2(CCN(C3CCN(C(C)C)CC3)CC2)C[C@H]1Cc1ccccc1 1615154001 COKXMJZLKAUCSA-XMMPIXPASA-N 397.607 3.805 0 40 GHAB C[C@]1(C(=O)NCc2nc(-c3ccccc3Cl)no2)CC(c2ccccc2)=NO1 12201285 ZZQWNELOSYNOCV-HXUWFJFHSA-N 396.834 3.590 0 40 GHAB COc1ccccc1C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 14689924 WSNLDQJWLUMBOS-UHFFFAOYSA-N 397.452 3.740 0 40 GHAB COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 15197203 MZXPHHCGOPZEHJ-AWEZNQCLSA-N 383.469 3.743 0 40 GHAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Br)o3)ns2)cc1 15859947 IIDSNLCAVNRHRQ-UHFFFAOYSA-N 394.250 3.887 0 40 GHAB CCN(CC)Cc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 16784027 IFPFULSEMQJMHQ-HNNXBMFYSA-N 397.544 3.891 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@@H](c2nc(N3CCCC3)ncc2-c2ccncc2)C1 19081183 RRDNERQGYMUFSS-GOSISDBHSA-N 393.535 3.891 0 40 GHAB Cc1ncncc1C(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19552929 HRXBYZIFACVQPO-UHFFFAOYSA-N 389.381 3.700 0 40 GHAB COc1ccc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 19555129 XLHNLPIHPNTDQE-OAHLLOKOSA-N 394.924 3.527 0 40 GHAB Cc1ccc(-c2cnc(NC(=O)c3cc(=O)n(C)c4ccccc34)n2C)cc1C 19666225 UGORKXXDKPRYNS-UHFFFAOYSA-N 386.455 3.808 0 40 GHAB CCn1cc(-c2cc(C(=O)N[C@H](C)Cc3cn(C)c4ccc(F)cc34)no2)cn1 19719263 HBHUYPJVBZKFTH-CYBMUJFWSA-N 395.438 3.550 0 40 GHAB COc1ccc2c(c1)OCC(c1cncn1Cc1ccccc1CN(C)C)=C2 19719409 HAHZNNGDSJGUTD-UHFFFAOYSA-N 375.472 3.935 0 40 GHAB O=C(COc1ccc2ccccc2c1)N1CCN(C[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1 169313257 NAZVMRKYJCRHEF-STZQEDGTSA-N 376.500 3.575 0 40 GHAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\C=C\c2ccco2)C1=O 8169280 KFXSIKFKZRRGHH-FEHKTJPBSA-N 384.413 3.519 0 40 GHAB O=C(NCc1ccccc1)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156622 JBWAXINFUUZSLE-HXUWFJFHSA-N 396.462 3.822 0 40 GHAB COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(CC(C)C)C1 19447181 LUPFJILEWCZZOH-PGRDOPGGSA-N 381.520 3.929 0 40 GHAB O=C(NC[C@H]1CC[C@H]([C@H](NC(=O)C2CC2)c2nccs2)CC1)c1ccccc1 257255868 KJFIQCWGJSHXAD-BXWFABGCSA-N 397.544 3.947 0 40 GHAB O=C(NCc1ccncc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 6709843 PKNNKCJTBBQNDY-UHFFFAOYSA-N 380.757 3.870 0 40 GHAB CCc1ccc(Cn2nccc2NC(=O)/C=C/c2ccc(C(=O)OC)cc2)cc1 29766173 QBZAZNRXBUXYMG-JLHYYAGUSA-N 389.455 3.932 0 40 GHAB CCOC(=O)[C@H](CC)Sc1nnc(NC(=O)CCc2ccccc2)s1 4087890 RJWBSHJJFIYCMT-ZDUSSCGKSA-N 379.507 3.543 0 40 GHAB O=S(=O)(NC[C@H](c1cccs1)N1CCc2ccccc21)c1cccs1 4305583 FTQGAYHYFCKCFD-MRXNPFEDSA-N 390.555 3.892 0 40 GHAB COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc(F)c(Cl)c1 7457081 WPNXAEIKUPCSQK-UHFFFAOYSA-N 387.798 3.594 0 40 GHAB O=C(Cc1ccccc1)NC(Nc1cccnc1)(C(F)(F)F)C(F)(F)F 12376209 WZPSOEAZSQIQLZ-UHFFFAOYSA-N 377.288 3.673 0 40 GHAB CNC(=O)C[C@@H]1CC2(CCN(Cc3cccc(OC)c3)CC2)c2cc(F)ccc21 2055812437 WFLDQARXWCKSJJ-GOSISDBHSA-N 396.506 3.992 0 40 GHAB O=C(c1ccc(-c2cccs2)cc1)N1CCC(N2C(=O)CSC2=O)CC1 206981889 JQJNCDWBIPZFBJ-UHFFFAOYSA-N 386.498 3.715 0 40 GHAB CCOc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCOCC2)cc1 101552210 VZVJQGFVJUXNDY-UHFFFAOYSA-N 380.419 3.840 0 40 GHAB COc1cccc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c1 40106389 NEUWKEDXHIDWPK-ZDUSSCGKSA-N 381.881 3.599 0 40 GHAB C[C@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 40112968 IMHYGGCYOIOXRC-CYBMUJFWSA-N 393.318 3.747 0 40 GHAB CN(c1ccccc1)c1ccccc1NC(=O)CN1C(=O)COc2ccccc21 40114514 MOPZKRDTMHBWTI-UHFFFAOYSA-N 387.439 3.819 0 40 GHAB CCOC(=O)c1ccoc1CN(CC)Cc1nc(O)c2ccc(Cl)cc2n1 31464640 YFFJEYJJYVMXFZ-UHFFFAOYSA-N 389.839 3.781 0 40 GHAB COC(=O)[C@@]12CC[C@](C)([C@@H](OC(=O)c3cc4ccccc4oc3=O)C1)C2(C)C 100753680 HRLPOZCJNLVAKW-KNXBSLHKSA-N 384.428 3.708 0 40 GHAB O=C(O)[C@H]1CS[C@H](c2ccc(F)cc2)N1C(=O)Cc1ccc(Cl)cc1 729555 PZWGTZHCYVYLRW-NVXWUHKLSA-N 379.840 3.749 0 40 GHAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1 873450 UEDBRZOEICACCM-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB COc1ccc(OCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)o2)cc1 876124 WSBPAFWPZNBYDM-OKILXGFUSA-N 391.493 3.539 0 40 GHAB Cc1ccc2nc3sc(C(=O)Nc4ccccc4C(N)=O)c(N)c3cc2c1 976953 XOONNXCKSMDOMD-UHFFFAOYSA-N 376.441 3.691 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 1009461 LJOJCLDXSFVSFY-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB COC(=O)c1c(NC(=O)c2cn(C)nc2C)sc2c1CC[C@@H](C(C)(C)C)C2 1097824 MIOFBPMIWXJEIP-GFCCVEGCSA-N 389.521 3.980 0 40 GHAB COc1ccc(Cc2nnc(NC(=O)CCc3ccccc3)s2)cc1OC 1275835 VHAHPNCXOUFTPC-UHFFFAOYSA-N 383.473 3.717 0 40 GHAB CC(=O)Nc1ccc(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 1632439 FOLKQFNGSXXVGY-UHFFFAOYSA-N 394.452 3.677 0 40 GHAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1OCC(=O)OC 2129595 XTSOOIAQTYIDFS-UHFFFAOYSA-N 396.395 3.611 0 40 GHAB biogenic C[C@H]1CCc2sc3nc(NCCO)n(-c4ccc(Cl)cc4)c(=O)c3c2C1 2366802 SWHYODJLMHVHOE-NSHDSACASA-N 389.908 3.630 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2(c3ccccc3)CCCC2)c1 2512680 KRMMONFWYDSPTH-UHFFFAOYSA-N 381.428 3.710 0 40 GHAB COc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)cc1 3285826 YZGJDMWQNCUULF-LEWJYISDSA-N 392.499 3.707 0 40 GHAB O=C(NC1CCCCCC1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3294323 VQEMTXRLMFMVIK-UHFFFAOYSA-N 383.469 3.516 0 40 GHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)N[C@H]1CCCc2ccccc21 3457399 CDDUKEICCMTJED-NRFANRHFSA-N 376.456 3.838 0 40 GHAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 3477262 ORKNZVKFMKYBGH-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB O=C(Nc1ccccc1F)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3608830 HPHMAXRVVOVYOI-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)nc2O)cc1 4317381 ATDBFWOEPZWJPR-UHFFFAOYSA-N 394.500 3.824 0 40 GHAB NC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCCCCCCC2 4646409 MJRYERHSCVVTDL-VAWYXSNFSA-N 378.494 3.646 0 40 GHAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1OC 4731446 BNLHOKZNZSOFJM-IBGZPJMESA-N 379.416 3.515 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1cccc(C)c1 4736463 QJHOXSXMICWHQH-NSHDSACASA-N 388.522 3.553 0 40 GHAB CC(=O)O[C@H]1OC[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1SCc1ccccc1 5080476 BEQMQIJYJMGIHC-YDZRNGNQSA-N 378.490 3.652 0 40 GHAB CCCOc1ccccc1OCC(=O)O[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 5769210 IGWCAUSZMHHYPB-INIZCTEOSA-N 399.443 3.627 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)CSc1nncn1-c1ccccc1F 6129395 SRFVLLVUMSHJBF-OAHLLOKOSA-N 384.480 3.636 0 40 GHAB CCCCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1 6240895 QNOUTZJSXCLPMI-UHFFFAOYSA-N 385.489 3.951 0 40 GHAB COC(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 6497722 QOHQNMMXUHOVKE-UHFFFAOYSA-N 393.770 3.946 0 40 GHAB O=c1[nH]c(CSc2nc3ccccc3o2)nc2c1cnn2-c1ccccc1 6498332 GXSQPNONQTYTEC-UHFFFAOYSA-N 375.413 3.542 0 40 GHAB COc1ccc(C(C)=O)cc1CN(C)S(=O)(=O)c1ccc2ccccc2c1 6507358 SRODFDLHVBZVAH-UHFFFAOYSA-N 383.469 3.872 0 40 GHAB CCCn1c(C)cc(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1C 6602003 WSYCLRQQDQHCRZ-UHFFFAOYSA-N 382.913 3.672 0 40 GHAB CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1ccccc1C 6914586 VMCXNWRDKMQEIT-UHFFFAOYSA-N 375.446 3.591 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1ccco1)N1CCCC1 7780515 DBTMAMWNRCJJCX-KRWDZBQOSA-N 398.894 3.994 0 40 GHAB C[C@H](OC(=O)c1ccc2nc(N)sc2c1)C(=O)N[C@H]1CCCc2ccccc21 7981280 ZORIYBLLIWFLEK-LRDDRELGSA-N 395.484 3.618 0 40 GHAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(COc2ccccc2)o1 8036485 GCGWVNWCIFPSKT-UHFFFAOYSA-N 379.412 3.602 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)Cn2cnc3sccc3c2=O)cc1 8074444 PEXUAMRGADXWML-SFHVURJKSA-N 397.500 3.611 0 40 GHAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1 8075175 PDGJBDPMCQEXQQ-UHFFFAOYSA-N 395.484 3.615 0 40 GHAB COc1ccc([C@H]2CCCCCN2CC(=O)N2CC(=O)Nc3ccccc32)cc1 8157006 BJIBWBXADJULFF-HXUWFJFHSA-N 393.487 3.598 0 40 GHAB COc1cc(CNc2nn[nH]n2)cc(Cl)c1OCc1ccccc1Cl 8470440 XWQVVTQDRMGEEY-UHFFFAOYSA-N 380.235 3.706 0 40 GHAB CC(C)[C@@H]1C[C@@](CC(=O)N2CCOCC2)(Cc2ccccc2Cl)CCO1 9547940 MPWFRYDAKBWWJY-FPOVZHCZSA-N 379.928 3.953 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccccc2)cc1 9891787 HHZVYMCWVCSKQY-UHFFFAOYSA-N 380.469 3.829 0 40 GHAB CC(C)c1noc2ncc(C(=O)NCc3ccc(Cn4cccn4)cc3)cc12 10276441 DLFKELMQWQQNMQ-UHFFFAOYSA-N 375.432 3.521 0 40 GHAB CCC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10326251 YFXGIMCYZLKFPQ-HZPDHXFCSA-N 386.517 3.745 0 40 GHAB O=C(COc1cc(Cl)ccc1Cl)NCc1cnn(-c2ccccc2)c1 10498788 KXCBMJLCTGGVCZ-UHFFFAOYSA-N 376.243 3.874 0 40 GHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccccc3C)ccc21 10972356 CUCHOVARPPDGCZ-UHFFFAOYSA-N 382.460 3.784 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@H](c2nc(N3CCCC3)ncc2-c2cccnc2)C1 12119433 HPNYACIHCGJTLN-SFHVURJKSA-N 393.535 3.891 0 40 GHAB CC[C@H]1c2ccc(C)n2CCN1C(=O)c1cc(-c2cc(OC)ccc2OC)n[nH]1 12147503 CLKMJFANVPCQOK-IBGZPJMESA-N 394.475 3.811 0 40 GHAB O=C(c1cccc(-n2cccc2)c1)N1CCC(C(=O)N2CCCCCC2)CC1 12549316 OVXUKPBKEFKIRQ-UHFFFAOYSA-N 379.504 3.732 0 40 GHAB CN(CC(=O)Nc1ccc(N(C)C)cc1)Cc1ccccc1N1CCCCC1 12587074 HRHBXQPIEZYAIY-UHFFFAOYSA-N 380.536 3.813 0 40 GHAB COc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1F 12770893 LEFINWWQBFCWKD-UHFFFAOYSA-N 387.436 3.533 0 40 GHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Br 12802644 OKBAXXHHYCMDIN-UHFFFAOYSA-N 390.642 3.602 0 40 GHAB CN(C)C1(CNC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)CCCCCC1 12935245 ARUYZQXEBLXJQD-SDNWHVSQSA-N 383.536 3.597 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)N(C)[C@H](C)c3cc4ccccc4o3)cnc12 13020478 FRTQXLNZXURPDM-OAHLLOKOSA-N 375.428 3.671 0 40 GHAB CC(=O)NCc1ccc(C(=O)[C@@H](C)Sc2cc(C)nc(C(C)C)n2)s1 14019079 ZEKKNAMPZJYZKJ-GFCCVEGCSA-N 377.535 3.970 0 40 GHAB COc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)ccc1OCC(C)C 14109958 SCDQOWCIGHDPAK-UHFFFAOYSA-N 398.503 3.815 0 40 GHAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(C3SCCS3)cc2)c1 14516817 VDKIPJRMOITDHD-UHFFFAOYSA-N 383.502 3.608 0 40 GHAB COc1ccc(-c2noc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 15301261 HNXWSUWDWWBJKV-SFHVURJKSA-N 393.443 3.854 0 40 GHAB COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)NC2CCCC2)n1 17026346 WUOSJGWCNOGNIO-UHFFFAOYSA-N 388.493 3.705 0 40 GHAB CCc1ccc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 17198155 GQECUBCDGRBCJT-JOCHJYFZSA-N 393.512 3.825 0 40 GHAB O=S(=O)(c1ccc(CNCc2ccc(Cl)cc2)cc1)N1CCCCC1 17317611 JKEVNCULBXLRJV-UHFFFAOYSA-N 378.925 3.804 0 40 GHAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 17959981 GAPWOLOJPQIXQS-MRXNPFEDSA-N 394.496 3.800 0 40 GHAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C/C(C)=C/c2ccccc2)C3)C1 19014424 PUVBLLONDPUBOJ-DOIQENQNSA-N 390.531 3.664 0 40 GHAB Cc1ccc(CC(=O)N2CCC(c3nnc(-c4scnc4C)o3)CC2)cc1 19209382 LULUQAWEVMXKRV-UHFFFAOYSA-N 382.489 3.759 0 40 GHAB Cc1nc2ccccc2n1[C@H](C)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 19286671 VSEKKMAVHARQDC-VLIAUNLRSA-N 391.450 3.684 0 40 GHAB CC(C)c1nccn1CC(=O)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1 19454429 GGEKXHQTMSOKHH-UHFFFAOYSA-N 396.413 3.501 0 40 GHAB CCCC(=O)N[C@H](Cc1ccccc1)c1cc(N(C)C)nc(-c2cccnc2)n1 19501723 UAIWPDZSLSKETC-LJQANCHMSA-N 389.503 3.805 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cn1 19688173 MZXJFJQPCWLSGB-LJQANCHMSA-N 390.462 3.930 0 40 GHAB Cc1ccc(F)cc1NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 20023579 LQKCSVHSPDYQPF-UHFFFAOYSA-N 392.496 3.640 0 40 GHAB CC(C)CCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20454619 CDURXIJPHRVBGJ-UHFFFAOYSA-N 380.897 3.917 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)cc1 20722166 DUXSSMMTAICURQ-GOSISDBHSA-N 389.415 3.680 0 40 GHAB Cc1cccc(OCCNC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c1 22277119 DNMFEBWTKVEFEA-UHFFFAOYSA-N 391.515 3.851 0 40 GHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 22511421 SWWSTBUJKCDVBT-AEFFLSMTSA-N 396.487 3.564 0 40 GHAB Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)sc1-c1ccccn1 23500460 ZLQZXJCMEFRCLU-AWEZNQCLSA-N 398.513 3.818 0 40 GHAB O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCO[C@@H](c2ccccc2)C1 23898157 DRFLOIUPSZYRCA-HXUWFJFHSA-N 381.863 3.799 0 40 GHAB CC(C)[C@H](CNC(=O)CCc1ccc2c(c1)OCO2)N1CCc2ccccc2C1 25539307 JEEFXNINGDBGJZ-NRFANRHFSA-N 394.515 3.547 0 40 GHAB C[C@H]1CCCCN1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 27962378 XIYAXQJBRLWNKT-GOEBONIOSA-N 379.551 3.943 0 40 GHAB O=C(c1sc2cccc(Cl)c2c1Cl)N1CCN(c2ncccn2)CC1 28225787 RMOWISJEVWWNTP-UHFFFAOYSA-N 393.299 3.961 0 40 GHAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 29331455 ZQESYRKECGZCBP-UHFFFAOYSA-N 394.475 3.860 0 40 GHAB CC(C)[C@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccc(F)cc1 29448325 AIJPUJXEMBAMDK-IBGZPJMESA-N 393.418 3.795 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N3)cc1 31812777 VGKRRGAZVSQZOU-SFHVURJKSA-N 389.459 3.899 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1C 31815361 ZECYZUUYBDZKMX-INIZCTEOSA-N 395.850 3.737 0 40 GHAB COc1cccc(-n2cnc3cc(C(=O)N[C@@H](C)c4ccccc4)ccc3c2=O)c1 32072946 QSDPYXJMHDGSSW-INIZCTEOSA-N 399.450 3.885 0 40 GHAB O=C(Nc1ccnn1Cc1ccncc1)c1cc(Br)ccc1Cl 32676340 KFAXYWRAJTXQKA-UHFFFAOYSA-N 391.656 3.995 0 40 GHAB CN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1cccc(F)c1 32730168 LIDIJTFPTXJOQS-IBGZPJMESA-N 399.441 3.972 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)CCCOc1ccc(F)cc1 32929857 RVEQVVIQROFQFY-ZDUSSCGKSA-N 399.871 3.690 0 40 GHAB Cc1n[nH]c(-c2ccccc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 32932350 OLZIUVHUZZUIJI-UHFFFAOYSA-N 383.260 3.888 0 40 GHAB Cc1cc2nnc(S[C@@H](C(=O)N[C@H](C)c3ccccc3)C(C)C)n2c(C)n1 33030494 DKFAKUDBCRDHGV-RDTXWAMCSA-N 383.521 3.735 0 40 GHAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1nnc([C@@H]2CCCO2)s1 36357694 SBRRSSMWCAGJMO-ZDUSSCGKSA-N 390.465 3.833 0 40 GHAB CN1CCN(C(=O)CCC(=O)c2ccc(Cl)s2)[C@@H](c2ccccc2)C1 40050491 URDBSIDYZVMLAX-OAHLLOKOSA-N 376.909 3.880 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1ccc(-n2cc[nH]c2=S)cc1)c1ccc(C)cc1 40119573 CIVVJFIDLADWGV-GOSISDBHSA-N 395.484 3.878 0 40 GHAB CN(CCc1ccccn1)C(=O)c1ccccc1OCc1cn2ccccc2n1 42035286 GCYAANISYWWQPE-UHFFFAOYSA-N 386.455 3.623 0 40 GHAB CN(C)C(=O)c1cccc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1 43990973 PKIGIUPFAFRYQE-INIZCTEOSA-N 392.459 3.941 0 40 GHAB COc1ccc(CN2CCC(NC(=O)Nc3ccccc3F)CC2)cc1F 47326176 PCVZZEWYWFWVDP-UHFFFAOYSA-N 375.419 3.760 0 40 GHAB COC(=O)c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 48008674 NLXAJXWXVWHLBB-HNNXBMFYSA-N 378.432 3.761 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)N1CCN(c2c(N)cccc2Cl)CC1 57332176 MDSSTDFPDUTYSQ-UHFFFAOYSA-N 394.302 3.612 0 40 GHAB CCOC(=O)C1CCN([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1 57406149 WKULKHLBQIVALR-NRFANRHFSA-N 380.488 3.950 0 40 GHAB Cc1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O 64591294 RUZQKFBIDPUXKC-UHFFFAOYSA-N 392.846 3.764 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3c(C)cc(C)cc3C)ccc21 64947107 OMPORXKWVKHTMB-UHFFFAOYSA-N 376.503 3.809 0 40 GHAB O[C@H](c1cccnc1)c1ccccc1N1CCN(Cc2cccc(F)c2)CC1 72340647 PVCKZFGBIMQOBD-HSZRJFAPSA-N 377.463 3.625 0 40 GHAB CN1CCN(C(=O)C2CCC2)[C@@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 72351630 ZMJDBCLPRDUFDH-NRFANRHFSA-N 380.463 3.505 0 40 GHAB COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3scnc3C)C2)c1 72359035 IRPFRVBNPFBXCW-INIZCTEOSA-N 394.500 3.937 0 40 GHAB Cc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)C[C@H]2C=CCC2)cn1 72389848 LAEUDUOZJWVDBR-SFHVURJKSA-N 387.487 3.788 0 40 GHAB CCN(CC1CCN(C(=O)Cc2ccc(F)cc2)CC1)C(=O)OC(C)(C)C 73252503 YOBANAWGKSNTFE-UHFFFAOYSA-N 378.488 3.864 0 40 GHAB CCCc1nnsc1C(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200219 JVOKYIZUPOIMFC-CABCVRRESA-N 388.493 3.780 0 40 GHAB O=C(c1cc(F)c(Cl)cc1Cl)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 84334835 NVRWCMRACPRZJO-TXEJJXNPSA-N 376.255 3.933 0 40 GHAB CC(C)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)n1cnc2cc(F)c(F)cc21 84409329 WQAKIHGZSUPCIJ-IBGZPJMESA-N 387.386 3.557 0 40 GHAB C[C@H](C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)n1cccc1 89573872 QKCIZXZBHLEGRT-CQSZACIVSA-N 377.400 3.669 0 40 GHAB Cc1ccnc(Nc2cc(NCCNC(=O)c3ccccc3Cl)nc(C)n2)c1 90607949 FJJATOQWZMOCIE-UHFFFAOYSA-N 396.882 3.727 0 40 GHAB O=C1NCCCN1C1CCN(Cc2ccccc2OCc2ccccc2)CC1 93669209 NOTIYPRWKJFJLD-UHFFFAOYSA-N 379.504 3.645 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(F)cc4cccnc34)C2)nc1 95453321 LQSCEMJEBNDXJG-MRXNPFEDSA-N 392.434 3.568 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2c(C)noc2-c2ccccc2)cc1 95939649 OOXOGISUTXNYQH-UHFFFAOYSA-N 386.429 3.628 0 40 GHAB Cn1cc(CCOC(=O)c2csc(-c3cc(Br)cs3)n2)cn1 95959807 IHSJLEAPQDSSMO-UHFFFAOYSA-N 398.307 3.767 0 40 GHAB O=C([C@@H]1CCn2c(cnc2C(F)(F)F)C1)N(Cc1cccc(O)c1)CC1CC1 95993203 ILEHIMYQTPWPJI-OAHLLOKOSA-N 393.409 3.609 0 40 GHAB O=C1[C@H]2C(c3ccccc3Cl)=NO[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 101359498 WSMQNLKUIRGZOC-DZGCQCFKSA-N 395.629 3.939 0 40 GHAB CCc1ccccc1NC(=O)c1cnn2c1NC(C(=O)O)=C[C@H]2c1cccs1 102810611 SENZBXYBAXBIOH-INIZCTEOSA-N 394.456 3.743 0 40 GHAB Cc1ccccc1-c1csc(NC(=O)c2ccc(C(=O)N(C)C)nc2C)n1 103756721 WEBSROCFDPDFSM-UHFFFAOYSA-N 380.473 3.776 0 40 GHAB CCCCNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 113963453 HBBCMEWQBPNISL-UHFFFAOYSA-N 388.533 3.800 0 40 GHAB O=C(CCc1ccccc1Br)NC[C@](O)(c1ccccc1)C1CC1 217578869 YQPLQYKXGOLGLG-FQEVSTJZSA-N 388.305 3.796 0 40 GHAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N3CCCC3=O)cc1)CC(C)(C)O2 219204695 VONYYRRMGWKCLW-IBGZPJMESA-N 394.471 3.854 0 40 GHAB C[C@H](C(=O)Nc1cccc2ccccc12)N(c1cccc(F)c1)S(C)(=O)=O 220465620 XPENNFXNDHNMPH-CQSZACIVSA-N 386.448 3.772 0 40 GHAB COC(=O)c1cn(C(=O)CN2C(=O)c3cccc4cccc2c34)c2ccccc12 222588889 HWFVHWQBMQLYEC-UHFFFAOYSA-N 384.391 3.882 0 40 GHAB COc1cc(NC(=O)COc2ccc(Cl)cc2C)cc2sc(N)nc12 226312510 FNQOINNQCUZZRY-UHFFFAOYSA-N 377.853 3.866 0 40 GHAB O[C@]1(c2cccnc2)CCC[C@H]2CN(Cc3cc4c(cc3Cl)OCO4)C[C@H]21 248005603 SSUXVZYXEZIFCA-OXTHUFEASA-N 386.879 3.583 0 40 GHAB O=C(O)CN(Cc1cccc(F)c1)C(=O)c1ccc(Cc2ccc(F)cc2)nc1 257257101 KOCWTBASISGVAY-UHFFFAOYSA-N 396.393 3.678 0 40 GHAB CNc1cc(C(=O)N2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)ccn1 257322955 WIFPXWXOTYUTKI-HXUWFJFHSA-N 392.434 3.538 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1cccs1 306133571 MPWQADSKGGGCPP-WOJBJXKFSA-N 381.476 3.770 0 40 GHAB O=C(/C=C/c1cccs1)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1 306142002 WMKVLCRFEZGSFV-IHHMQQGQSA-N 379.485 3.586 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C 408622395 NNZUOLBEHQDVPY-UHFFFAOYSA-N 386.517 3.597 0 40 GHAB O=C(C(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575613124 PCKFPAJTNKAXLJ-IBGZPJMESA-N 393.874 3.942 0 40 GHAB COc1ccc(NC(=O)N2CC(C)(C)[C@H]2c2ccncc2)cc1N1CCCC1=O 581347747 VFWUZVDEFKQHSC-HXUWFJFHSA-N 394.475 3.832 0 40 GHAB CC(C)[C@H](CNC(=O)CSc1ncc2c(n1)CCCC2=O)c1ccccc1 629199192 MRMOCDSORYJPAD-INIZCTEOSA-N 383.517 3.644 0 40 GHAB CCCCN1CCOc2ccccc2Oc2ncccc2C(=O)N(CC)CC1 643571592 FLYNXKVUZDHHHZ-UHFFFAOYSA-N 383.492 3.831 0 40 GHAB COc1nn(C)cc1NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 654046982 KIBOLBVICPCBRL-UHFFFAOYSA-N 378.423 3.584 0 40 GHAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)c3ccccn3)CC2)cc(C)c1Cl 2037912532 OAKXBWFLDKREGZ-OAQYLSRUSA-N 388.895 3.788 0 40 GHAB COc1cc(OC)c(C(=O)COC(=O)c2oc3ccccc3c2C)c(OC)c1 2652207 FHFHLCQYRLQEQP-UHFFFAOYSA-N 384.384 3.807 0 40 GHAB COc1ccccc1OCC(=O)OCc1cc(=O)oc2cc(C)c(Cl)cc12 2654198 ZKTSAOLAHJWLCF-UHFFFAOYSA-N 388.803 3.886 0 40 GHAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N1CCCC[C@H]1C 905042 LUHDOCLLGPYTNX-MRXNPFEDSA-N 387.553 3.712 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1 32678861 UQPJBWOODRUAPQ-UHFFFAOYSA-N 392.908 3.743 0 40 GHAB COc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1OC 2623236 JHRAGRFDTXAZDJ-UHFFFAOYSA-N 392.459 3.941 0 40 GHAB O=C(CN1CCC[C@@H]1c1cccc(F)c1)NC[C@@H]1CCN(c2ccccc2)C1 52456199 XPEIDVALRBKKRD-PGRDOPGGSA-N 381.495 3.605 0 40 GHAB Cc1ccc(CN(C)c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1 32837517 FPDULPGRMIYVJP-UHFFFAOYSA-N 375.472 3.652 0 40 GHAB O=c1c2sccc2n(Cc2cccc(F)c2)c(=O)n1Cc1ccc(F)cc1 6679357 ZXFLBFBSDDNKBE-UHFFFAOYSA-N 384.407 3.600 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 10314729 SHEJZVMCELKNSB-UHFFFAOYSA-N 396.468 3.889 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1cccc(Cl)c1 8413925 IIHVMQKFRRKCHF-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c(C)c2c1 101850157 JFVXXFIRLHPRNA-BORJPKMPSA-N 385.460 3.848 0 40 GHAB O=C(CCC1CCCC1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 671243 VJLNGUYRFWWOFN-UHFFFAOYSA-N 379.507 3.853 0 40 GHAB CCOc1ccc(N2C[C@@](O)(c3ccc(OCC)cc3)[N+]3=C2CCCC3)cc1 2966386 VXBKRWHWDAWJEI-HSZRJFAPSA-N 381.496 3.744 0 40 GHAB C[C@@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1ccc2c(c1)CC(=O)N2 53964536 YFJWVYZKLVROGP-OAHLLOKOSA-N 387.439 3.646 0 40 GHAB CCSc1nnc2n(-c3ccccc3OC)c(=O)c3c4c(sc3n12)CCC4 986196 JPRQRAMAWZAPIK-UHFFFAOYSA-N 398.513 3.704 0 40 GHAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccccc1C(=O)O 939375 YKAJNLOEROKVMW-UHFFFAOYSA-N 399.497 3.999 0 40 GHAB C[C@H](NC(=O)[C@H](C)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1 22929537 UGKUHBUHVTWWFU-HOTGVXAUSA-N 391.968 3.785 0 40 GHAB COc1ccccc1-c1c(C)nc2nc(SCc3ccccc3)nn2c1N 20676200 DSVBSEQULUSLHA-UHFFFAOYSA-N 377.473 3.983 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1ccc(Br)cc1)c1ccccc1F 12507146 CPKIOYOORAYWAN-INIZCTEOSA-N 388.240 3.841 0 40 GHAB COC(=O)N(C)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 56448686 AFVSOVXRRHIPLL-LLVKDONJSA-N 385.445 3.574 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)OCc3nc4ccccc4s3)CC2=O)cc1F 26364872 HFMUZYQGSNGRHP-CYBMUJFWSA-N 384.432 3.840 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102817015 MAMJCSITLXOTFM-BZUAXINKSA-N 393.553 3.524 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)cc1C 103716878 SBMCWDHTTQXGQL-GOSISDBHSA-N 394.471 3.860 0 40 GHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(C)oc1C 3371754 QPNVAQZXNYBJBX-UHFFFAOYSA-N 388.464 3.783 0 40 GHAB O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1ccc(N2CCOCC2)cc1 58386051 MLKQHRFXVPOWCV-UHFFFAOYSA-N 399.834 3.584 0 40 GHAB Cc1cccc(N2C[C@H](C(=O)NCc3coc(-c4cccs4)n3)CC2=O)c1C 10872093 UOLJDRHHDZMRQF-OAHLLOKOSA-N 395.484 3.689 0 40 GHAB CC(C)c1ccccc1OC[C@@H](O)Cn1cnc2sc3c(c2c1=O)CCCC3 12854799 UMXNVLIMEDMUKF-HNNXBMFYSA-N 398.528 3.900 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 8714847 HTRKOYBJNFVRKV-WCQYABFASA-N 376.316 3.705 0 40 GHAB CC1CCN(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)CC1 3596409 ZMTYJNBNJGIJIM-UHFFFAOYSA-N 396.516 3.937 0 40 GHAB COc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc1OC(F)F 12920521 FKBQAUNMGJBFDG-KRWDZBQOSA-N 392.402 3.690 0 40 GHAB O=c1c2c(-c3ccccc3)csc2ncn1C[C@@H](O)COc1ccccc1 13002142 VVJOHTOFVPKIFF-MRXNPFEDSA-N 378.453 3.565 0 40 GHAB C[C@H](NC(=O)[C@@H](C)N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 22788065 FNRSOHSFDYESQC-ZWKOTPCHSA-N 385.939 3.724 0 40 GHAB CC(=O)Nc1ccc(Sc2ncccc2C(=O)Nc2ccc(F)cc2)cn1 4053043 GZKSGGUOGSWEIA-UHFFFAOYSA-N 382.420 3.978 0 40 GHAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC(C)(C)CC(C)(C)C 64856058 PMYCCFARENLVDA-UHFFFAOYSA-N 390.553 3.774 0 40 GHAB COc1cc2s/c(=N\C(=O)COc3ccccc3Cl)[nH]c2c2cccnc12 13735786 ODBQBVDJDYAKHE-UHFFFAOYSA-N 399.859 3.946 0 40 GHAB Cc1ccc(-c2nc(CSc3nnc(SCC(N)=O)s3)cs2)cc1 6107584 KNZRZMWWLYMOEP-UHFFFAOYSA-N 394.572 3.840 0 40 GHAB CCN(CC)c1ccc2cc(-c3c(O)[nH]c4ccccc4c3=O)c(=O)oc2c1 8974083 ZWYWAVSVXUITRO-UHFFFAOYSA-N 376.412 3.853 0 40 GHAB biogenic O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1cc(F)ccc1F 6473394 ISJIYDFBBLJOBT-UHFFFAOYSA-N 376.340 3.719 0 40 GHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1OC 20460751 FXNOFBJFMWFYSJ-UHFFFAOYSA-N 384.476 3.803 0 40 GHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc(Br)c2)C1=O 4514474 ZIALLGLACPPNFT-GOSISDBHSA-N 391.240 3.946 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2C)cc1 9190280 KMVJWQIKYIZEJE-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB O=C(c1cccc(Cl)c1)N1N=C(c2ccc(F)cc2)C[C@]1(O)C(F)(F)F 4614970 YSSLZKZGTCSXSY-INIZCTEOSA-N 386.732 3.980 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(F)cc3Cl)sc2c1 6610628 JAJVXCMCTVSMBL-UHFFFAOYSA-N 384.841 3.745 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1cccc(F)c1 4736300 YVBVWFLLKXCSAA-NSHDSACASA-N 391.497 3.988 0 40 GHAB CCC1CCC(C(=O)N[C@@H](C(=O)NCCCN2CCCC[C@@H]2C)C(C)C)CC1 4778482 PHMYQMYDBRMTEN-GKYDQMIMSA-N 393.616 3.724 0 40 GHAB Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1 5620704 ZXIVPYTVIOWCOM-UHFFFAOYSA-N 382.460 3.546 0 40 GHAB O=C(/C=C/c1ccc(Br)o1)OCc1nnc(-c2ccccc2)o1 6881737 BKJLPCPCEIETEV-VQHVLOKHSA-N 375.178 3.849 0 40 GHAB COc1ccc(C(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)cc1OC 6947034 HFXHZVIYUNMUKR-UHFFFAOYSA-N 394.423 3.907 0 40 GHAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(Br)cc1 7552465 FAFISMNIVWBELU-OAHLLOKOSA-N 379.254 3.515 0 40 GHAB CN(CCOc1ccc(F)cc1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 16173757 KETOLZNXSHLKJX-FARCUNLSSA-N 377.799 3.758 0 40 GHAB O=C(CSc1nccn1Cc1ccccc1)N1CCC(c2ccccc2)=N1 8136307 UGXYIHKLCLSCGB-UHFFFAOYSA-N 376.485 3.660 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(-c2cn3ccsc3n2)cc1 8280403 ALFZRGHZUOAWSM-UHFFFAOYSA-N 390.424 3.609 0 40 GHAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1)N(CCCN(C)C)C3=O 8549512 FMASBJQVZZYFBT-OAQYLSRUSA-N 390.483 3.907 0 40 GHAB O=C(CSc1nc(-c2cccs2)n[nH]1)NCC12CC3CC(CC(C3)C1)C2 8514723 KYGHOPCAKTURLA-UHFFFAOYSA-N 388.562 3.958 0 40 GHAB CCOc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1 35684119 ZMFKOOINGGUWDT-UHFFFAOYSA-N 387.237 3.681 0 40 GHAB Cc1ccnc(C(=O)N2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 306130831 JQTJOZCDCLHADZ-IBGZPJMESA-N 398.470 3.515 0 40 GHAB COCCN1CCC(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CC1 79110300 NYLYWSNFMGCFTM-VBKFSLOCSA-N 390.833 3.513 0 40 GHAB COCC[C@@H](Nc1nc(C2CC2)nc2scc(-c3ccccc3)c12)C(N)=O 95463020 RBMXYYBGDBFAOY-OAHLLOKOSA-N 382.489 3.538 0 40 GHAB Cc1cc([C@@H](NCC(=O)Nc2cccc(C(=O)N(C)C)c2)C(C)C)c(C)s1 95462602 ZKMZSBGKVUYRIR-FQEVSTJZSA-N 387.549 3.992 0 40 GHAB COCCn1ccnc1[C@H]1CN(Cc2ccc(OC)cc2)Cc2ccccc21 306125258 CKQWNXZCUFSWJO-QFIPXVFZSA-N 377.488 3.686 0 40 GHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccccc2OC)CC1 20488397 SORMWYINMOCBHT-GOSISDBHSA-N 388.895 3.855 0 40 GHAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1OC 409141859 KKGRKQCEKSFIEW-PBJWJZLWSA-N 399.852 3.647 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)cc1Cl 409178160 GWODXUYETAAJDU-RIYZIHGNSA-N 376.821 3.916 0 40 GHAB COc1ccc(Cl)cc1NC(=O)COc1c(C)n(CCC(C)C)ccc1=O 524734119 ZCMPHWFTBDCPCH-UHFFFAOYSA-N 392.883 3.882 0 40 GHAB CC(C)c1ccc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)cc1 32642997 DUTQYVAODSYUBP-UHFFFAOYSA-N 376.460 3.842 0 40 GHAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(Cl)cc(Cl)c1 32247948 RCEJHOIABURRML-GOSISDBHSA-N 379.287 3.624 0 40 GHAB COc1cccc(CCN2CCOc3nc4c(C)cccc4cc3C2)c1OC 72392270 HZCMJZSCPOYZHW-UHFFFAOYSA-N 378.472 3.998 0 40 GHAB COc1cccc2sc(N(C)CC(=O)NCCc3c[nH]c4ccccc34)nc12 70973232 LRWHQSBYBFEYGJ-UHFFFAOYSA-N 394.500 3.581 0 40 GHAB Cc1nc([C@@H]2CCN(C(=O)Nc3ccc(C(C)(C)C(F)(F)F)cc3)C2)n[nH]1 561130357 BVBMQHNSNSLHHJ-GFCCVEGCSA-N 381.402 3.974 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc(CN2CCCC2)cc1 44873146 FHAOKRQUYABRAS-FQEVSTJZSA-N 382.504 3.765 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225700283 SEUHWWGAIOMFAS-GOSISDBHSA-N 388.533 3.727 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)cc1 223506678 FHOVBYMSMKXFFA-IBGZPJMESA-N 396.531 3.880 0 40 GHAB CCC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC1CCCC1 224732174 KHDWXVPTVPBSJY-ZDUSSCGKSA-N 381.314 3.635 0 40 GHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 44948079 XXXHEHHLVNOKAG-QGZVFWFLSA-N 387.432 3.595 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 222427719 OMXZGRFUNZJBRN-IBGZPJMESA-N 382.504 3.626 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC3CCCC3)cc2)cc1 224700500 ZZLLPVJPWHKFDP-UHFFFAOYSA-N 389.473 3.596 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC2=CCCCC2)c2ccccc2)cc1 223539154 LOXTUZGDNMRDQK-UHFFFAOYSA-N 398.528 3.807 0 40 GHAB O=C(Cn1cccc(C(F)(F)F)c1=O)NCCc1ccc(Cl)cc1Cl 43587991 VGUOBLMKUGKSFM-UHFFFAOYSA-N 393.192 3.533 0 40 GHAB CN(Cc1ccccc1)C(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 46058080 ZNZYANOPPQRIKX-UHFFFAOYSA-N 388.514 3.569 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 220136111 ZDXFTLOJAZQBEN-INIZCTEOSA-N 390.505 3.575 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)NCCCc1ccc(C)cc1 225620488 GSMREBOVUZKXGO-UHFFFAOYSA-N 398.322 3.677 0 40 GHAB Cc1cccc(NC(=S)c2c(N)nc(N3c4ccccc4C[C@H]3C)[nH]c2=O)c1 40385620 GFOSSJAMHFVBDZ-CYBMUJFWSA-N 391.500 3.531 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cl)cc3F)n2)cc1 225644607 SMGSRVMDNJEUKA-UHFFFAOYSA-N 375.787 3.810 0 40 GHAB C[C@H]1CCCN(c2cc(N3CCCCC3)nc(NC(=S)NC(C)(C)C)n2)C1 225894324 AQXDNCOFRMCDJF-HNNXBMFYSA-N 390.601 3.788 0 40 GHAB CC(C)[C@@H](C)NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225207325 PWCCAHNSPRVFGB-GFCCVEGCSA-N 395.352 3.700 0 40 GHAB COC(=O)c1cccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)c1 225740799 BKSZGVOJVVOMMR-HNNXBMFYSA-N 383.517 3.601 0 40 GHAB CC(C)NC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CCC1)c1ccccc12 96242166 LQIAZRDUIREBHR-QGZVFWFLSA-N 383.536 3.684 0 40 GHAB CN(C)CCCn1cnc2cc(NC(=O)Cc3cc(F)c(F)cc3F)ccc21 95479772 ZJWPGKSXXANAHJ-UHFFFAOYSA-N 390.409 3.587 0 40 GHAB COc1cccc(C(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c1 243831385 QYYBBUOBRRETQB-UHFFFAOYSA-N 386.879 3.517 0 40 GHAB O=C(NCc1ccc(-c2ccccc2)o1)[C@@H](c1ccccc1)N1CCC(O)CC1 543255087 HRHJYPTXOWLXSU-HSZRJFAPSA-N 390.483 3.761 0 40 GHAB CC(=O)N[C@]1(C)C[C@@H](c2ccc(Br)cc2)O[C@@H]2[C@H]1CC=C(C)[C@H]2O 257245554 IQBSGGLDWNMAIY-RHQZKXFESA-N 394.309 3.501 0 40 GHAB CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)Cc2ccccc2O1 585083967 CRGYWDFGCMJHJX-INIZCTEOSA-N 384.501 3.553 0 40 GHAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)Nc1cc(C)nc(-c2ccccc2)n1 622858182 DPSNOVQYNLRVNN-IEBWSBKVSA-N 391.475 3.775 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3c(N)ncnc3c2)cc1 665613655 INQFIRBVCXRFEB-FQEVSTJZSA-N 376.460 3.978 0 40 GHAB C[C@H](O)C(=O)O[C@](CCN1CCCCC1)(c1ccccc1)[C@H]1C[C@H]2C=C[C@@H]1C2 299754618 ATZOURLUNRGDHW-MJRVOHGCSA-N 383.532 3.894 0 40 GHAB Cc1csc(C(=O)N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)c1 575414715 LNNYSQYBXZINGQ-INIZCTEOSA-N 383.922 3.712 0 40 GHAB O=C(N1CC2(C[C@@H](OCc3ccccn3)CCO2)C1)C12CC3CC(CC(C3)C1)C2 575403770 JRYDZARDJWXIEL-FCSDKFEESA-N 396.531 3.575 0 40 GHAB Cc1nc(CN2C(=O)CC[C@]23CCCN(CC2CC(F)(F)C2)CC3)cs1 585100823 YBZUWWTUOOPJJI-SFHVURJKSA-N 383.508 3.844 0 40 GHAB O[C@H](c1ccccn1)c1cccc(F)c1N1CCN(Cc2ccccc2F)CC1 72340703 QKGBRDPYAADQCJ-QHCPKHFHSA-N 395.453 3.764 0 40 GHAB O=c1c2ccccc2cnn1CN1CCCc2cc(Br)cc(F)c21 103265889 ABWZITXRFQAUAS-UHFFFAOYSA-N 388.240 3.708 0 40 GHAB CC(C)c1c(NC(=O)CO[C@@H]2CCCC[C@@H]2C)c(=O)n(-c2ccccc2)n1C 78808605 KYRPBBLINNOOLP-FUHWJXTLSA-N 385.508 3.833 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2C)o1 5435121 JIFDUIUNXZMFNW-UHFFFAOYSA-N 397.456 3.953 0 40 GHAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 11531719 CTHHINIEPYNOLL-UHFFFAOYSA-N 377.629 3.639 0 40 GHAB COc1cccc(CC(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 11706644 CGXKDVKFMHQSBA-UHFFFAOYSA-N 381.428 3.723 0 40 GHAB CCOc1ccc(C(=O)N2CCC[C@H](c3nc(C)ncc3-c3ccncc3)C2)o1 12117229 OHWTUNBZCANJNG-KRWDZBQOSA-N 392.459 3.859 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3cccnc3)cc2n1 13225481 NIBLWOIQIDCYQC-HNNXBMFYSA-N 389.381 3.819 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Oc1ccccc1Cl 13710019 LKFFBARQZXIMGL-NSHDSACASA-N 393.823 3.550 0 40 GHAB COc1ccc(S(=O)(=O)NCc2ccc(-c3csc(C)n3)s2)cc1 15358223 HCZZYMPMGDBCNS-UHFFFAOYSA-N 380.516 3.667 0 40 GHAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCCN(C(C)C)C1 19529961 UXGLKXVVYVXPLK-HRAATJIYSA-N 376.472 3.763 0 40 GHAB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccco3)SC2=S)c(Cl)c1 8369838 KMUHNRBGNOMFNZ-MDWZMJQESA-N 378.862 3.788 0 40 GHAB Cn1cnnc1C1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1 642660025 IDNYYSVONWPRLV-UHFFFAOYSA-N 378.263 3.623 0 40 GHAB NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccc(F)cc2)C1 19331706 UZGFQULJKLTQFE-XMMPIXPASA-N 389.474 3.808 0 40 GHAB Cc1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)c(Br)c1 3493840 DQACXNJNAWRUDF-UHFFFAOYSA-N 388.217 3.881 0 40 GHAB CCc1cccc(C)c1NC(=O)COc1ccc(Br)cc1CO 5468488 JFRQMBJSLMZTOY-UHFFFAOYSA-N 378.266 3.830 0 40 GHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H]3C)ccc2Cl)cc1 33026196 SMLXCGDRFIWYLD-NHYWBVRUSA-N 394.880 3.744 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1cccc(Cl)c1)NC1CCCC1 4341698 NHLIZPXJEBUZOK-UHFFFAOYSA-N 387.896 3.620 0 40 GHAB Cn1cc(-c2nccnc2CNC(=O)c2ccc(-c3cccs3)cc2)cn1 575618626 DMWUZRPXZKDQFM-UHFFFAOYSA-N 375.457 3.536 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(Oc2ccsc2)CC1 575617881 APKZLPIUQDHDFN-UHFFFAOYSA-N 377.531 3.859 0 40 GHAB C[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(NC(=O)C2CC2)cc1 30395886 YWQWZILHGBNKSS-ADLJWPQSSA-N 378.428 3.654 0 40 GHAB CC(=O)N[C@H]1C(=O)N(CCCOc2ccccc2Cl)c2c(C)cc(C)cc21 100485692 JPPNQYGBDAIOAZ-LJQANCHMSA-N 386.879 3.950 0 40 GHAB O=C(NCc1cccnc1OC1CCCC1)c1c[nH]nc1-c1ccc(F)cc1 31982396 DJRZSHCQCRTFJL-UHFFFAOYSA-N 380.423 3.862 0 40 GHAB O=C(CSc1nnnn1C1CC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 8231296 OVFMEBQNEAWHGX-GOSISDBHSA-N 399.907 3.659 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 8270571 QMPZKGCRFPEAEV-MRXNPFEDSA-N 395.484 3.953 0 40 GHAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc4c(c3)OCCO4)cc2)n1 32578599 QXZJVZRRALOLGF-UHFFFAOYSA-N 395.415 3.649 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)NC3CCCCC3)n2C)c1C 778473 KVVOMCJOJPIGJW-UHFFFAOYSA-N 388.537 3.552 0 40 GHAB COc1ccc2ccccc2c1[C@H]1C(C(=O)OC(C)C)=C(C)Nc2ncnn21 959047 OQNXHUVCCCORFQ-LJQANCHMSA-N 378.432 3.680 0 40 GHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCN1CCSC1=O 32784617 VQJPZYMSUDEEMQ-UHFFFAOYSA-N 376.400 3.992 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)cc1 2523573 XJJCSBRFCNMBAW-UHFFFAOYSA-N 388.880 3.875 0 40 GHAB Cc1nn(-c2ccccc2)c2c1CN1C(=N2)C(N2CCOCC2)=Nc2ccccc21 4882467 IGSGZYINXWYETJ-UHFFFAOYSA-N 398.470 3.607 0 40 GHAB Cc1ccc(-c2nc(COC(=O)Cn3cnc4ccccc4c3=O)cs2)cc1 6546574 DEROHXCNRPVALV-UHFFFAOYSA-N 391.452 3.572 0 40 GHAB COc1ccc(O[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 7504961 GOEBFTDYOFLXJN-INIZCTEOSA-N 388.895 3.773 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 7881621 UTLSUGWEXLNJPD-MJGOQNOKSA-N 379.456 3.779 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCc2ccc(C(C)C)cc2)c1 10434173 MGRPVOVJZVZVMN-UHFFFAOYSA-N 383.444 3.955 0 40 GHAB CCCC/N=c1/sc(C(=O)Nc2ccc(OC)cc2)cc(=O)n1CCCC 102962115 SGHLHLPSCACDKR-QZQOTICOSA-N 389.521 3.672 0 40 GHAB COc1cc(C(=O)/N=c2\sc(C)c(-c3ccccc3)n2C)cc(OC)c1OC 687695 VUXGVMBMHZDDBO-DQRAZIAOSA-N 398.484 3.829 0 40 GHAB CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccco1 22381619 ZZCICAPPZLTLDN-MRXNPFEDSA-N 389.402 3.565 0 40 GHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H]1CCC[C@H](C(F)(F)F)C1 41902712 YUGYCSCUTMQFOO-XANRMCGBSA-N 386.458 3.556 0 40 GHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 804696 KDSIYPAUESUJLO-UHFFFAOYSA-N 392.908 3.696 0 40 GHAB C[C@@H]1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)c2ccccc2S1 22917688 ZVICSIOBRPNQEU-LJQANCHMSA-N 395.572 3.722 0 40 GHAB COc1cc(Cl)cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c1O 100316334 ASVCLLSSHIFUCS-MLPAPPSSSA-N 379.199 3.805 0 40 GHAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(SC(F)(F)F)cc2)C[C@@H](C)O1 21061716 WBESNEKSJWHIPX-BETUJISGSA-N 390.471 3.916 0 40 GHAB O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(N2CCCCCC2)cc1 12553960 NUMWBRWVSOLWTO-UHFFFAOYSA-N 392.459 3.522 0 40 GHAB C[C@H](C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1)n1cncn1 25296174 JHSRERNDXNPFSW-LLVKDONJSA-N 387.802 3.523 0 40 GHAB O=C(CN1CCCCCCC1=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 56274934 KIGXXYCAWRNCOY-MRXNPFEDSA-N 394.899 3.629 0 40 GHAB O=C(NC[C@H]1CCN(CC(F)(F)F)C1)N[C@@H](c1ccc(Cl)cc1)C1CC1 43717551 UUVAWHXXIDBZSJ-MLGOLLRUSA-N 389.849 3.975 0 40 GHAB COc1ccc(C)cc1Nc1nnc(SCc2cn3cccnc3n2)s1 12659196 XPSYEXJAOVRCOI-UHFFFAOYSA-N 384.490 3.934 0 40 GHAB Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccccc4)s3)CC2=O)cc1C 9197917 LRCFTCFFPQTDPQ-MRXNPFEDSA-N 392.484 3.928 0 40 GHAB O=c1cc(Cc2ccccc2)[nH]c2nc(SCc3ccccc3Cl)nn12 101981588 ZQDIDWWHUBQDMW-UHFFFAOYSA-N 382.876 3.954 0 40 GHAB O=C(Cc1cccs1)Nc1ccnn1Cc1cccc(Br)c1 44532471 FJOGQYMTSCEYIS-UHFFFAOYSA-N 376.279 3.937 0 40 GHAB O=C(NCC1(N2CCOCC2)CCCCC1)C(c1ccccc1)c1ccccc1 23486942 YAMGXXXDGUQEFO-UHFFFAOYSA-N 392.543 3.970 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1 3347851 RXCAVYGZWZOGFZ-UHFFFAOYSA-N 388.729 3.558 0 40 GHAB COc1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)C(C)(C)N2C1=O 2114849 CUTSSPFOQWPKQD-KRWDZBQOSA-N 375.428 3.805 0 40 GHAB biogenic Cc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 27826194 WMCDEGVWHMNFHA-UHFFFAOYSA-N 379.504 3.515 0 40 GHAB Cc1nc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)sc1C 45032555 IGGCSIXVWDFPFX-UHFFFAOYSA-N 393.515 3.875 0 40 GHAB O=C([C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)N1CCc2ccccc2C1 48234417 LPVQJOZWLLEBJR-INIZCTEOSA-N 388.389 3.643 0 40 GHAB O=C(CCCNC(=O)c1ccc(F)cc1F)NCC12CC3CC(CC(C3)C1)C2 12785214 ZRUHAFSWCVXMLC-UHFFFAOYSA-N 390.474 3.807 0 40 GHAB COc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c(-n2cccc2)cc1OC 36357731 JLNLYXIBLHZNFT-UHFFFAOYSA-N 379.416 3.705 0 40 GHAB NC(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1 12758675 XMVNHNPPPIGMJI-VXKWHMMOSA-N 387.483 3.886 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3C)C2)c1 48353802 HCXNLIDEUOUDKY-OAQYLSRUSA-N 378.516 3.823 0 40 GHAB CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccc(F)cc3)N2C1=O 2487202 UKWVHLXSOSFSRZ-ZBFHGGJFSA-N 376.453 3.816 0 40 GHAB CC(C)N(CCn1cnc2c([nH]c3ccc(Br)cc32)c1=O)C(C)C 2412608 JHICSEAKIXZFKM-UHFFFAOYSA-N 391.313 3.759 0 40 GHAB CC(C)[C@@H](NC(=O)Cn1nnc(-c2ccccc2Cl)n1)c1cccs1 12804519 OPHNVCRNWFDQPJ-MRXNPFEDSA-N 375.885 3.569 0 40 GHAB CCc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)N(C)C)cc1 12883862 GCMCWJOWLKICHX-AUUYWEPGSA-N 397.544 3.714 0 40 GHAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CCSc2ccccc2F)C1=O 8345150 PKZFWVYPNAHRSY-NRFANRHFSA-N 384.476 3.874 0 40 GHAB Cc1cc(C(=O)Cn2c(CO)nc3ccccc32)c(C)n1Cc1cccs1 3445297 VRCRQXAATBXRMY-UHFFFAOYSA-N 379.485 3.940 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CS[C@]2(c3cccs3)CCC(=O)N12 3442310 FUVOXYWXDFPRBY-KDOFPFPSSA-N 392.933 3.609 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(-n2cnnn2)cc1 8314026 WSCYFVDQCQPBMU-UHFFFAOYSA-N 383.455 3.614 0 40 GHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1Br 3550503 VLESKERERJMEQR-UHFFFAOYSA-N 389.278 3.965 0 40 GHAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(Cl)cn3)n2C)cs1 17077673 MFRPFOMLTZEBMZ-UHFFFAOYSA-N 379.898 3.631 0 40 GHAB COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccsc5)no4)c3CO2)cc1 97077949 MTXPGYBKSANICT-MRXNPFEDSA-N 380.429 3.942 0 40 GHAB Cc1ccccc1Nc1nc(NCCN(C)C)nc2c1cnn2-c1ccccc1 17136028 LYGCDCDJNAWDIL-UHFFFAOYSA-N 387.491 3.841 0 40 GHAB CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)cc1 4089135 GXNZTPGEXQMFAD-UHFFFAOYSA-N 391.880 3.824 0 40 GHAB O=C(/C=C/c1c(Cl)nc2sccn12)OCC(=O)c1cc(F)ccc1F 39607817 RTMXYCJMKCBXLN-ONEGZZNKSA-N 382.775 3.767 0 40 GHAB O=C(COC(=O)/C=C/c1nc2ccccc2s1)NC12CC3CC(CC(C3)C1)C2 5185538 XTXOYZOKBROORA-AATRIKPKSA-N 396.512 3.938 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccccc1Cl 8519639 BIWHTCRLEHXNMH-UHFFFAOYSA-N 389.908 3.963 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3nccs3)n2-n2cccc2)cc1 5224182 YFMLHITXPVPDBO-UHFFFAOYSA-N 396.501 3.554 0 40 GHAB Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1Cc1ccco1 4469439 BIIZUJQCGDDNTC-UHFFFAOYSA-N 397.475 3.574 0 40 GHAB Cn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1cccnc1 14077495 COVRFSKTIUUXFH-GOSISDBHSA-N 393.516 3.723 0 40 GHAB Cc1cccc(-n2c(S[C@H](C)C(=O)N3CCOCC3)nc3ccccc32)c1 8725485 LEUCVSFLQHMLSQ-MRXNPFEDSA-N 381.501 3.673 0 40 GHAB O=C(NCCC1=CCCCC1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5439385 RSWYDPMMQJVUFB-UHFFFAOYSA-N 396.940 3.890 0 40 GHAB COc1cc(C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 6583246 AOCPBJBGYKFGJG-KRWDZBQOSA-N 375.852 3.836 0 40 GHAB NS(=O)(=O)c1ccc(CNc2nc(-c3cccs3)nc3ccccc23)cc1 6548250 KHQZHHIESXPCLQ-UHFFFAOYSA-N 396.497 3.618 0 40 GHAB CCOc1ccccc1/C=C/C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 15175394 OVNAIAUGIGRCRF-OUKQBFOZSA-N 392.499 3.654 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)NCC(c2ccccc2)c2ccccc2)cc1 15330031 LYFUTNDZNXYQCA-UHFFFAOYSA-N 395.480 3.584 0 40 GHAB COc1ccc(-c2nnc(SCc3cn4cccnc4n3)n2CC(C)C)cc1 15911891 WNNRLZVMPNWBCH-UHFFFAOYSA-N 394.504 3.945 0 40 GHAB CNC(=O)c1sc(N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccco2)nc1C 7844383 CYZBRGOWNVZCBY-MRXNPFEDSA-N 396.472 3.768 0 40 GHAB O=C(/C=C/c1ccccc1Br)N1CCCCC[C@@H]1c1ncon1 96012145 NACYQDFHOAPCJT-BOLDSZDNSA-N 376.254 3.989 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(C)cc(C)c2)c1 9441793 DVJWFCYOERGATG-UHFFFAOYSA-N 393.480 3.830 0 40 GHAB CCn1nnc2cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)ccc21 9514716 KEBSEXBQJYNAET-GOSISDBHSA-N 392.459 3.590 0 40 GHAB Cc1cccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4C)n3)c2C)c1 9638813 GWKMHYSIEDWUQJ-UHFFFAOYSA-N 390.472 3.963 0 40 GHAB COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)COC(=O)C1CC1 9686729 IOMGNAPZTAZMPW-UHFFFAOYSA-N 393.848 3.747 0 40 GHAB CC(C)Oc1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)s1 84622075 LPJBVYUHWVPJOI-UWVGGRQHSA-N 383.461 3.655 0 40 GHAB Cc1nc(CNS(=O)(=O)c2ccccc2F)oc1-c1ccc(Cl)cc1 79092382 OSSMVOGUXJYKSM-UHFFFAOYSA-N 380.828 3.921 0 40 GHAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccc3c(c2)CCC(=O)N3C)c1 95976069 SLPCXPZMTOUMCE-UHFFFAOYSA-N 388.471 3.959 0 40 GHAB CC(C)(C)c1csc(CCNC(=O)c2ccc(Nc3ncccn3)cc2)n1 79495228 PPMUCGUBNMZJLZ-UHFFFAOYSA-N 381.505 3.947 0 40 GHAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3C)CC2)cc1 89644408 ZFXKLRVWHNOZAN-UHFFFAOYSA-N 385.895 3.612 0 40 GHAB O=C1S[C@H](Cc2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1Cl 409149978 XACBNGMRMXRLHX-MRXNPFEDSA-N 375.833 3.875 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1OC 408586249 MTODFQRSLSTZBA-UHFFFAOYSA-N 392.477 3.990 0 40 GHAB COc1cc(Br)cc2cc(C(=O)Nn3c(C)cc(C=O)c3C)oc12 408567987 RFUOYNUXQIZDRM-UHFFFAOYSA-N 391.221 3.819 0 40 GHAB O=C(c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12)N1CCCC1 306142035 WNKMUWJEVWBBLW-IBGZPJMESA-N 388.471 3.548 0 40 GHAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)ccc1C 408601331 FQTBTKRNHCLFEE-UHFFFAOYSA-N 387.288 3.852 0 40 GHAB Cn1cc(CN2CCC[C@@H](c3nc4ccc(-c5cccs5)cn4n3)C2)cn1 306134857 NZXAOSXIHIAFHP-QGZVFWFLSA-N 378.505 3.571 0 40 GHAB Cc1ccc(NC(=O)c2sc3ncn(C[C@H]4CCCO4)c(=O)c3c2C)cc1C 35673385 UKRBTTDJAFHLCR-MRXNPFEDSA-N 397.500 3.815 0 40 GHAB CC(C)c1c(C(=O)NCc2ccccc2OC(F)F)cnn1-c1ccccn1 32912207 KYYVYHVMWCTPFA-UHFFFAOYSA-N 386.402 3.922 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 408574654 BASBLTUPMPIXQI-INIZCTEOSA-N 386.517 3.881 0 40 GHAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 32601666 SNXIVJVQEZHCIP-UHFFFAOYSA-N 377.462 3.882 0 40 GHAB COc1ccc(-c2[nH]ncc2C(=O)NCCc2ccc(Cl)cc2)cc1OC 72329285 DXSVNYQUPBXJOE-UHFFFAOYSA-N 385.851 3.720 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1C 39621344 BSUYZMKJXPBFKC-INIZCTEOSA-N 396.439 3.852 0 40 GHAB C=Cc1ccc(CSc2nnc3c(=O)n(-c4cccc(OC)c4)ccn23)cc1 64593701 ZWEJOUIHWZFTLW-UHFFFAOYSA-N 390.468 3.824 0 40 GHAB CN1CCC(C(=O)N2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)CC1 72350376 KMGRUOIYCFMLDD-SFHVURJKSA-N 381.495 3.936 0 40 GHAB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(/Sc1nc2ccccc2o1)C(=O)O 211513018 VWGIZPYUXXYGPL-MPMPPSQCSA-N 393.424 3.927 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1 225419526 ZHJGBTODXSLJKC-RTBURBONSA-N 396.531 3.878 0 40 GHAB O=C(Nc1ccccc1C(F)F)N1CCOC[C@H]1c1ncnn1-c1ccccc1 567261622 ADQLMTPJGWDGIX-KRWDZBQOSA-N 399.401 3.810 0 40 GHAB Cc1ccnc(-c2ccc(NC(=O)N[C@H]3CCCO[C@@H]3c3ccncc3)cc2)n1 567409401 ZSLIAEDYIWXOBQ-VQTJNVASSA-N 389.459 3.889 0 40 GHAB CCOc1ccc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220496213 OZQZHXAVOROQJL-IBGZPJMESA-N 390.505 3.577 0 40 GHAB O=C(OCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cc2ccccc2cc1O 61085600 VANLUVVJSZZEAW-AWEZNQCLSA-N 381.350 3.503 0 40 GHAB Cc1ccc2nc(NC(=O)CN3CCC(c4nnc(C)s4)CC3)sc2c1 49365682 RSNGGSSBACZMJO-UHFFFAOYSA-N 387.534 3.583 0 40 GHAB COc1ccc([C@H](CC(C)C)NC(=O)COc2cc(OC)cc(OC)c2)cc1 44886504 SYRRBNWRNXXKCG-NRFANRHFSA-N 387.476 3.995 0 40 GHAB COc1ccc(-c2ccc(C(=O)O)o2)cc1NS(=O)(=O)c1ccc(F)cc1 226353114 XJQXQDRFCJIFLA-UHFFFAOYSA-N 391.376 3.593 0 40 GHAB CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COCC(C)C 224741399 VRLBXVZJWGTAJQ-UHFFFAOYSA-N 385.460 3.917 0 40 GHAB CCCCc1ccc(-n2nc(C(=O)C(C)(C)C)cc(C(=O)OCC)c2=O)cc1 225969633 OCUBSVJDZPQFHW-UHFFFAOYSA-N 384.476 3.981 0 40 GHAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21)NCC1CC1 96241986 HGDREFFSDHLBEA-IBGZPJMESA-N 392.499 3.857 0 40 GHAB COc1ccc([C@@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)c(OC)c1OC 96221757 GOCFMQBARDVESO-AWEZNQCLSA-N 396.395 3.568 0 40 GHAB biogenic CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnn1C 257271100 MWVZUWCCLIDRMA-CFKFVRPNSA-N 392.547 3.509 0 40 GHAB CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C3CCCCC3)CCN21 253396089 CZUDMPHTFVVCML-FQEVSTJZSA-N 389.971 3.893 0 40 GHAB biogenic,in-vitro Cc1ccnc(Oc2cc(NC(=O)N3CCO[C@@H](C(F)F)C3)ccc2C)c1 585080349 UEMAXAMDNMHKDV-MRXNPFEDSA-N 377.391 3.989 0 40 GHAB CCc1ccc([C@@H]2COCCN2C(=O)c2ccnc(-c3ccccc3)c2N)o1 585080838 PTPYVMYBPNMLSE-SFHVURJKSA-N 377.444 3.700 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC[C@H]2C)n1 260743158 ZCSMPVUXRXJMRH-MRXNPFEDSA-N 390.601 3.931 0 40 GHAB CC(C)Oc1ccc(CNC(=O)N2C[C@@H](C)[C@](C)(CO)C2)c(C(F)(F)F)c1 663932031 RWLZMKKRUZEYTK-ACJLOTCBSA-N 388.430 3.653 0 40 GHAB COC(=O)Nc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCC2)cc1 96120216 ZHEOBZYURMMQSQ-UHFFFAOYSA-N 394.518 3.717 0 40 GHAB Cc1ccc(OC[C@H](O)CNCc2cc3c(C)ccc(C)c3nc2O)c(C)c1 585283085 BMWLZFDHYBEACP-LJQANCHMSA-N 380.488 3.704 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccccc2N2CCCCC2)sc1C(=O)O 45946733 VUUFEQAUCWRXEI-UHFFFAOYSA-N 380.491 3.546 0 40 GHAB NC(=O)c1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 54277030 PQGNHAFGXSKUPO-UHFFFAOYSA-N 377.425 3.585 0 40 GHAB Cc1cc(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)c2c(C)nn(C)c2n1 50379558 HEEIYHSNOMNVKL-SFHVURJKSA-N 396.466 3.546 0 40 GHAB COC(=O)[C@@H]1CCCN1c1ccc(NCc2cc3cccc(C)c3[nH]c2=O)cc1 72396100 RDKBTRYOGMTVLK-FQEVSTJZSA-N 391.471 3.590 0 40 GHAB COc1ccc(CNC(=O)COc2ccc(C3SCCS3)cc2)cc1 5584431 UQCJULHIDBPSHU-UHFFFAOYSA-N 375.515 3.869 0 40 GHAB Cc1nc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)sc1C 12142494 JIUBTQDPOUSQCC-BEZKYQLSSA-N 396.516 3.686 0 40 GHAB COc1ccc(-c2n[nH]cc2CN2CCC(O)(c3ccccc3OC)CC2)cc1 12147627 YNBAJSXIFWSEKD-UHFFFAOYSA-N 393.487 3.578 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 12398095 NKQJXZVEJMQNMZ-UHFFFAOYSA-N 375.534 3.687 0 40 GHAB O=C(COc1cccc(F)c1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 12807245 LUMYYNZHZDCVHD-UHFFFAOYSA-N 398.413 3.967 0 40 GHAB O=C(CSCc1ccc(Br)cc1)NCCCN1CCCCC1 13647432 VNGCLQCAIUOODU-UHFFFAOYSA-N 385.371 3.675 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc4c(c3)OCCO4)c12 14179578 CLWMIGAOUBMRSG-UHFFFAOYSA-N 377.356 3.815 0 40 GHAB O=C(Nc1nc(-c2ccc(F)cc2F)cs1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 15746574 FMOYQCTWRYPGEZ-XNYCMSQESA-N 378.400 3.774 0 40 GHAB CC(C)[C@@H](NC(=O)c1cc(O)nc2ccccc12)c1ccc2c(c1)OCCO2 17368058 XYHGVHUTADEMJY-OAQYLSRUSA-N 378.428 3.839 0 40 GHAB COc1ccc(-c2n[nH]cc2CN(Cc2ccccn2)C[C@H]2CCCO2)cc1 19557844 IHIHZRLIHIKESW-OAQYLSRUSA-N 378.476 3.662 0 40 GHAB c1ccc(CN2CC[C@H](c3ccc4c(NCc5ccccn5)[nH]nc4n3)C2)cc1 19704412 ALTNUSHYSRFLDW-SFHVURJKSA-N 384.487 3.955 0 40 GHAB O=C(CC1CCC(C(F)(F)F)CC1)N[C@H]1CS(=O)(=O)Cc2ccccc21 623003652 SLYPTCGAXXYHHI-PXCJXSSVSA-N 389.439 3.531 0 40 GHAB O=C1c2ccccc2C(=O)N1CCN1CCC[C@H]1c1nc2ccccc2s1 23016254 YMEOODRXIFTCRE-KRWDZBQOSA-N 377.469 3.729 0 40 GHAB CC(C)(C)OC(=O)N1CCO[C@@H](c2cccc(-c3cnc4ccc(F)cn34)n2)C1 2037846136 PXRSCPGEKBZADK-GOSISDBHSA-N 398.438 3.844 0 40 GHAB C[C@H]1CC[C@H](C(=O)N2CCC3(CC2)CN(Cc2cccs2)CCO3)CC1 1565553218 OSLRQXRODBLSIG-IYARVYRRSA-N 376.566 3.768 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC2(C)C)cc1C 2713165 XRVBICXYXSBYSN-UHFFFAOYSA-N 383.879 3.963 0 40 GHAB Cc1cc2cc(CCNC(=O)c3ccccc3Br)c(=O)[nH]c2cc1C 4032756 VSZHSZXBBKNRRS-UHFFFAOYSA-N 399.288 3.880 0 40 GHAB CCSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1ccccc1OC 4059332 JLECVIAZUKOELI-UHFFFAOYSA-N 382.489 3.626 0 40 GHAB COc1ccc2nc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)sc2c1 5181102 LIMBFBHJVFHIJT-UHFFFAOYSA-N 393.921 3.982 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)c1cccn(Cc2ccccc2Cl)c1=O 5269900 UXBWGOSQXLTNFZ-UHFFFAOYSA-N 396.830 3.574 0 40 GHAB Cc1c(Cl)cccc1-n1nnc(-c2nc(-c3ccc4c(c3)OCO4)no2)c1C 8673311 WGRRKBUYVSSRBO-UHFFFAOYSA-N 395.806 3.983 0 40 GHAB O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1ccc(F)cc1 8893289 WSBFAJPJBBLUSC-SFHVURJKSA-N 389.496 3.559 0 40 GHAB Cc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1cccnc1)n1nnnc1N2 10336866 OCHVKAABMKPPQK-FGZHOGPDSA-N 394.438 3.936 0 40 GHAB Cc1ccc(NC(=O)[C@H]2[C@@H](c3ccccc3F)n3ncnc3N[C@@H]2C)c(C)c1 11694865 QXTCRIZODONMLD-NIKGAXFTSA-N 379.439 3.692 0 40 GHAB Cc1ccc(/C=C/S(=O)(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cc1 217822930 CJHVOXRRTQRNOG-DPCFLFMUSA-N 387.505 3.511 0 40 GHAB COCc1ccc(OC)c(CN2CCC[C@H]3NC[C@H](c4ccc(F)cc4)[C@H]32)c1 19594351 ZASXKCABCPSWED-MQSCRBSSSA-N 384.495 3.701 0 40 GHAB O=C(Cc1ccc(F)cc1)Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 36705848 LLDNGNXTAAZWTR-UHFFFAOYSA-N 388.406 3.726 0 40 GHAB CC(=O)N[C@H](C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CCCC1 40071989 WKFHDACGISYEQU-PKTZIBPZSA-N 376.500 3.856 0 40 GHAB C[C@@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105934 UAQHUXRHUKGKKZ-LBPRGKRZSA-N 386.300 3.613 0 40 GHAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)CCNC(=O)OC(C)(C)C 40108131 BWNYKMGONZPUJK-KRWDZBQOSA-N 389.540 3.592 0 40 GHAB COc1ccc(C2=C[C@@H](c3ccccc3Cl)n3nc(CCCO)nc3N2)cc1 100806510 IUAIGXRURCACJM-IBGZPJMESA-N 396.878 3.921 0 40 GHAB CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3Cc2ccc(Cl)cc2)c2ccccc21 32072052 LEVRCYRTFVBFPL-NRFANRHFSA-N 392.846 3.839 0 40 GHAB Cc1cccc(N2C(=O)/C(=C\Nc3ccc4c(c3)OCO4)c3ccccc3C2=O)n1 101234153 AUYLCSAYDFMSIK-PDGQHHTCSA-N 399.406 3.759 0 40 GHAB C[C@H]1C(=O)N(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)C(=O)[C@@H]1C 101444793 JUTQTKXKKGZHFC-CHWSQXEVSA-N 386.835 3.712 0 40 GHAB O=C(Nc1cccc(CNC(=O)c2c[nH]nc2-c2ccccc2)c1)c1cccnc1 29677422 PMUAOLOYNMTWCV-UHFFFAOYSA-N 397.438 3.654 0 40 GHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc2c(c1)OCCO2 2661752 FLABSQYRRNQRQG-UHFFFAOYSA-N 393.468 3.891 0 40 GHAB COc1ccccc1-n1c(SCC(=O)NC2CCCC2)nnc1-c1ccco1 905308 HERBAQLDEWUFHO-UHFFFAOYSA-N 398.488 3.687 0 40 GHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCC1(N(C)C)CCCCCC1 21201283 PPLVGXFYKDJDCI-UHFFFAOYSA-N 399.583 3.597 0 40 GHAB COc1cc(OC)c([C@@H]2C[C@@](C)(OC)Oc3cc4c(cc32)OCO4)c(OC)c1 1611566 HWYLZHKWPDVNBJ-SZNDQCEHSA-N 388.416 3.718 0 40 GHAB C[C@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)Nc1cccc(Cl)c1 21498714 WOZGJWYCUUYCQM-JTQLQIEISA-N 396.226 3.949 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc2nc(C)cc(C)n2n1 3428436 UQWYVZGSPRIVPA-LLVKDONJSA-N 391.884 3.522 0 40 GHAB Cc1ccc(CN(C)C(=O)c2cn(-c3ccccc3Br)nn2)cc1 32816060 GFKNBQHVYLZAMI-UHFFFAOYSA-N 385.265 3.610 0 40 GHAB CCCn1c(=O)n(CCC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc21 21742122 RRSKBGSKRQZKPZ-LJQANCHMSA-N 377.488 3.797 0 40 GHAB O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102634196 RJOHIGKKFMIAKP-OYUDYFSCSA-N 394.402 3.539 0 40 GHAB Cc1cccc(NC2=N[C@@H](c3c[nH]c4ccccc34)n3c(nc(C)cc3=O)N2)c1 7495831 NZTPIGHHQUELOT-HXUWFJFHSA-N 384.443 3.782 0 40 GHAB Cc1c(NC(=O)COc2ccccc2C(C)C)c(=O)n(-c2ccccc2)n1C 7598492 QNBVPEYNWMAVAQ-UHFFFAOYSA-N 379.460 3.625 0 40 GHAB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1nc(-c2ccccc2)cs1 32915841 NNNIWRCJMXXQED-UHFFFAOYSA-N 391.452 3.711 0 40 GHAB CN(C)[C@@H](CNC[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 22038821 JTOVVEPINSSAND-NOZRDPDXSA-N 390.527 3.986 0 40 GHAB CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccccc1 2890445 AGFOKCPQFCOTEL-GOSISDBHSA-N 382.847 3.553 0 40 GHAB O=C(COc1ccc(-c2cc3ccccc3oc2=O)cc1)NCc1ccccn1 12321199 YXYJRMVMQUTUJZ-UHFFFAOYSA-N 386.407 3.550 0 40 GHAB O=C(CSc1nc(C2CC2)nc2ccccc12)Nc1ccc2c(c1)OCO2 10838583 WEBWYTDXVHPQEI-UHFFFAOYSA-N 379.441 3.967 0 40 GHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)c2)n1 47317631 VCAMYWPGEBHJKD-CYBMUJFWSA-N 383.835 3.805 0 40 GHAB Cc1ccc(CSc2nnc(NC(=O)[C@H]3COc4ccccc4O3)s2)cc1 702355 JUBTUCHFILCWNY-MRXNPFEDSA-N 399.497 3.917 0 40 GHAB aggregator O=C(NCc1ccccc1CN1CCCC1)c1ccccc1OC[C@@H]1CCCO1 22872538 BCGIYZYRTJVSJP-NRFANRHFSA-N 394.515 3.770 0 40 GHAB CC(C)c1cccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCCCO4)CC2=O)c1 23039822 OXVKATLWXJLERZ-QGZVFWFLSA-N 394.471 3.963 0 40 GHAB Cc1cccc(NC(=O)c2cccnc2Sc2ccc3c(c2)OCCO3)n1 12586942 MRHJPFCHZCLTAL-UHFFFAOYSA-N 379.441 3.960 0 40 GHAB COc1cc(N2CC(O)=C(c3nc(C)c(C)s3)C2=N)cc(OC)c1OC 102729925 ZNLFKGJWRQPQEJ-UHFFFAOYSA-N 375.450 3.552 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)C1(c2ccc(Br)cc2)CCC1 24256202 KICTWOXSRJFGPY-UHFFFAOYSA-N 388.261 3.916 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 12574415 WTCRSJCYZRUCLU-INIZCTEOSA-N 388.240 3.841 0 40 GHAB CN(C)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 3203458 WOGYPQQJOXKKKY-UHFFFAOYSA-N 393.409 3.860 0 40 GHAB COc1ccc(CSCC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 20453849 SMTLWFCFMQFEMR-UHFFFAOYSA-N 381.501 3.739 0 40 GHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cccs1 24990900 LVAUXHNBRQCNSE-UHFFFAOYSA-N 376.434 3.940 0 40 GHAB CCN(c1ccc(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1)C(C)C 3219485 HTYDVNXLBDIOKZ-UHFFFAOYSA-N 397.475 3.675 0 40 GHAB Cc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102076528 YNWUYIJQIAYDOL-GLRKZIRRSA-N 398.462 3.805 0 40 GHAB C[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 57335629 ROXAGBVOEWVBLJ-SECBINFHSA-N 375.400 3.637 0 40 GHAB CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 101889464 QAOBBBBDJSWHMU-JDDLESQYSA-N 380.525 3.887 0 40 GHAB O=C(COC(=O)c1ccc(Br)o1)Nc1ccc(Cl)cc1F 3312999 AVQPOVXDIABVIW-UHFFFAOYSA-N 376.565 3.630 0 40 GHAB Cc1occc1C(=O)NCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 58003263 VGUPMHFIQXIVRO-UHFFFAOYSA-N 375.837 3.733 0 40 GHAB C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1nc(-c2ccccc2)c[nH]1 58161768 LAUOOYAAWLVQRB-QFBILLFUSA-N 393.491 3.867 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c(C)c1 22328550 XNGLGNVLDUPXPS-GOSISDBHSA-N 388.533 3.564 0 40 GHAB Cc1csc(NC(=O)C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 58163747 HYDRJZNTIQNMCB-UHFFFAOYSA-N 377.897 3.525 0 40 GHAB O=C(COc1ccccc1)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 27602714 LVCCKWQBOHNHAS-UHFFFAOYSA-N 390.395 3.685 0 40 GHAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c1 58358132 VLRDPLKPIJDYRK-UHFFFAOYSA-N 392.433 3.537 0 40 GHAB Cc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1C 12750442 QSATXWFVVPXQHV-UHFFFAOYSA-N 379.456 3.810 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C)c1 12789532 GSKKRJJBXKWQFI-RTBURBONSA-N 379.504 3.981 0 40 GHAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 2364886 UPKCXHYHTNWZLB-FQEVSTJZSA-N 384.391 3.946 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)s1 11109484 VONKUMDASASNAR-UHFFFAOYSA-N 383.425 3.659 0 40 GHAB CCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(OC)cc1 2422557 LKOCBHSQIAZKIS-UHFFFAOYSA-N 386.477 3.651 0 40 GHAB CC(=O)Nc1ccc(CNC(=O)Cn2c(C)cc(-c3csc(C)n3)c2C)cc1 12889059 BJZBLMKGNWXZJQ-UHFFFAOYSA-N 396.516 3.812 0 40 GHAB COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OC)cc3)n2)cc1 8474003 CKMHLVJZASPQHN-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB CCc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1 12927406 PMENEOFJAOVJFI-UHFFFAOYSA-N 382.485 3.709 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)n2c(C(F)(F)F)nc3ccccc32)cc1 4025149 KYSXJIRGOOGCCP-GFCCVEGCSA-N 377.366 3.941 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)NCc3ccc(OC(C)C)cc3)CC2=O)cc1 408708640 RVJKGQZCOLXIHP-GOSISDBHSA-N 396.487 3.542 0 40 GHAB CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2ccc(Cl)c(Cl)c2)CC1 4241856 HPZXIWOTSJKSMY-CQSZACIVSA-N 389.279 3.672 0 40 GHAB COc1cc(Cl)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1O 14009341 ASVCLLSSHIFUCS-AWNIVKPZSA-N 379.199 3.805 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)nc2n1 14375760 GGNGEBPIRWYTOP-UHFFFAOYSA-N 384.852 3.770 0 40 GHAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(C2SCCS2)cc1 6787869 FHQIUKINRQLOHY-UHFFFAOYSA-N 385.466 3.576 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCCOc2cccc(Br)c2)c1C 6836683 YPGGSNBKOPZPMG-UHFFFAOYSA-N 380.238 3.832 0 40 GHAB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2Cl)C1=O 6879271 UEIFGIVEPWDWJO-KRWDZBQOSA-N 386.279 3.679 0 40 GHAB O=C(CSc1nccn1-c1cccc(F)c1)Nc1ccc2c(c1)OCCCO2 6972940 IKBFYXPMNUOSFG-UHFFFAOYSA-N 399.447 3.904 0 40 GHAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)Cc2ccccc2)c1 408626982 JXKGYFJJTJASJY-UHFFFAOYSA-N 375.881 3.744 0 40 GHAB COC[C@@H](C)n1c(C)cc(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)c1C 7383698 IKIPQWRVQUCKKE-GFCCVEGCSA-N 387.505 3.583 0 40 GHAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Cl)cc1 9041607 FLEVFETYLNGLOV-UHFFFAOYSA-N 385.851 3.542 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H]2CCSc3ccccc32)c1 7988516 AYFKCHXHDAIAGV-SFHVURJKSA-N 383.473 3.570 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)no1 8184654 JKRSAAKDVTXSEL-SNVBAGLBSA-N 375.479 3.757 0 40 GHAB COc1ccc(C2(c3nnc([C@H]4COc5ccccc5O4)o3)CCOCC2)cc1 71889822 GSMPJPIAXQWDKZ-LJQANCHMSA-N 394.427 3.687 0 40 GHAB Clc1ccc(N2CCOCC2)c(NCc2nc(Cc3ccccc3)no2)c1 71981866 DHIUMUIIRPBFCQ-UHFFFAOYSA-N 384.867 3.763 0 40 GHAB CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 78934697 WHGBPVQSJJDFCF-IHRRRGAJSA-N 380.435 3.584 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C 78934648 QPPODUQULFVCKV-DZGCQCFKSA-N 382.888 3.623 0 40 GHAB CN(C)S(=O)(=O)c1ccc(CN2CCCCC[C@H]2/C=C/c2ccccc2)o1 79058702 HUNHTACSSPVVDU-HYSAVQALSA-N 388.533 3.988 0 40 GHAB Cc1ccc(-c2nc(NC(=O)c3ccc(CS(C)(=O)=O)o3)sc2C)cc1 95958447 SGZFTOBGPHVAEN-UHFFFAOYSA-N 390.486 3.817 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1 408597141 XERVPQIDDJPESX-UHFFFAOYSA-N 383.242 3.724 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)c(C)c1C 35597979 MYHBLSQGRWNMRQ-UHFFFAOYSA-N 398.488 3.955 0 40 GHAB CCn1c(=O)n(CC)c2cc(NC(=O)c3cccc(Br)c3)ccc21 408530836 MVBKRVVMNPZZOZ-UHFFFAOYSA-N 388.265 3.858 0 40 GHAB O=C(CCCn1cccc1)NCC1(Cc2nnc3ccccn23)CCCCC1 524735596 MIZDKXVKNRDZNE-UHFFFAOYSA-N 379.508 3.620 0 40 GHAB CC[C@@H](C(=O)N[C@H]1CCCC[C@@H]1C)n1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)n1 36617864 BANKRJPHTSEQJT-JNIAIEOXSA-N 388.556 3.838 0 40 GHAB O=C(Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1)c1ccccc1F 33268509 QJVHMOUYYDRJFY-UHFFFAOYSA-N 389.386 3.665 0 40 GHAB CCOc1ccc(-c2cc3c(=O)n(Cc4cccc(OC)c4)ccn3n2)cc1 64977459 NSMGHNCRTWSIFK-UHFFFAOYSA-N 375.428 3.619 0 40 GHAB CN(Cc1ccccc1)C(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1 72396915 XYADZLXIEUYDEB-UHFFFAOYSA-N 393.512 3.919 0 40 GHAB CCOCCCNC(=O)Nc1ccc(Br)cc1Br 40098246 XXZPGKZYMLBLQK-UHFFFAOYSA-N 380.080 3.760 0 40 GHAB CS(=O)(=O)N(CCCC(=O)NCC1=CCCCC1)c1ccc(Cl)cc1 224631876 PSTWSKLFMVQYHU-UHFFFAOYSA-N 384.929 3.503 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220528560 ZORMTXPOOIPUCN-MJGOQNOKSA-N 388.533 3.725 0 40 GHAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1 225699695 VPHBCOWCMIUNFP-JOCHJYFZSA-N 392.540 3.712 0 40 GHAB CCC[C@@]1(CO)CCN(C(=O)C(CC)(CC)c2ccc(OC)c(OC)c2)C1 585085089 DRXYBEAJBCMEGB-OAQYLSRUSA-N 377.525 3.773 0 40 GHAB Cc1noc(C)c1-c1cc(CC2CCN(C(=O)c3ccc(O)cc3)CC2)ncn1 257200670 AEKKTHCKKZPWRX-UHFFFAOYSA-N 392.459 3.549 0 40 GHAB O=C(O)CN(Cc1ccc(Cl)cc1)Cc1nc(-c2ccc(F)cc2)no1 1602059518 UQUXNKVNJICIGF-UHFFFAOYSA-N 375.787 3.616 0 40 GHAB Cc1ccc2c(CCNC(=O)N3Cc4cnn(C)c4CC(C)(C)C3)cn(C)c2c1 663196573 CVELMQZINKVIPN-UHFFFAOYSA-N 393.535 3.557 0 40 GHAB C[C@@H](Nc1ncnc2[nH]cnc12)c1ccc(NC(=O)c2ccc(F)cc2)cc1 54125138 TUWMXXYRJBYKFN-GFCCVEGCSA-N 376.395 3.917 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2cccs2)o1 5270997 HFWIOYAKXPEJKG-UHFFFAOYSA-N 391.474 3.895 0 40 GHAB COc1ccc(OCC(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 5444656 WMJBMNBISBTQLR-ZYSHUDEJSA-N 378.465 3.621 0 40 GHAB COc1ccc(C(=O)COC(=O)CCC(=O)c2cc(C)sc2C)c(OC)c1 5768490 UDDRVBRTCHRAIJ-UHFFFAOYSA-N 390.457 3.771 0 40 GHAB CCOc1ccc(CCNC(=O)COC(=O)c2ccc(C)cc2C)cc1OCC 5780680 ARNPFDLJFLWFJK-UHFFFAOYSA-N 399.487 3.617 0 40 GHAB COc1cc(CCC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)on1 12145625 UCPDKMQLNPMJTF-LJQANCHMSA-N 394.475 3.612 0 40 GHAB COc1cc2c(cc1CN1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)CCC2 12292958 APIOCSKPBQTSDV-UHFFFAOYSA-N 396.506 3.950 0 40 GHAB Cc1ccc(C(=O)NCC(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 12771461 KSFKKJKLJFJXKL-UHFFFAOYSA-N 379.485 3.719 0 40 GHAB O=C(Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1)c1cccs1 13368334 YEIPSDQRRCGEPF-UHFFFAOYSA-N 383.454 3.649 0 40 GHAB CCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@H](O)C4)cc3)cc2c1 13563050 PZWRXHOQUQRDLX-NRFANRHFSA-N 377.488 3.664 0 40 GHAB COc1ccc(-c2nn3c(-c4cncc(Br)c4)nnc3s2)cc1 13730188 PZDPSVYYFRJBDF-UHFFFAOYSA-N 388.250 3.686 0 40 GHAB Cc1cccc(C)c1Nc1noc2c1CN(C(=O)CCc1ccncc1)CC2 19235774 JGVYDYPZTVQHQY-UHFFFAOYSA-N 376.460 3.948 0 40 GHAB CCc1noc(C)c1C(=O)N1CCC(CC(=O)N[C@@H](C)c2ccccc2)CC1 19748548 DCIUXLUIQQICOB-HNNXBMFYSA-N 383.492 3.665 0 40 GHAB COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(OC)c1O 6478700 AEZSRJOVKSLJOR-LICLKQGHSA-N 385.441 3.954 0 40 GHAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@H]1CCOC(=O)c1cccnc1Cl 4276841 KUNTVFFWKIHCJG-AWEZNQCLSA-N 392.242 3.974 0 40 GHAB COc1ccc(C2(CN3CCC(NC(=O)c4cc[nH]n4)CC3)CCCCC2)cc1 19553836 ICWQPHKUPHVHRS-UHFFFAOYSA-N 396.535 3.515 0 40 GHAB Cc1cccc(NC(=O)C[C@H](NC(N)=O)c2ccc(Br)cc2)c1C 36390595 VRGPXRKUMZTGJB-INIZCTEOSA-N 390.281 3.804 0 40 GHAB COc1ccc(CC(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 4305011 BOFSOTCOLJBRKU-OAQYLSRUSA-N 376.456 3.751 0 40 GHAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nc2c(c1=O)SCC2 4339334 YFUPSYUBBUMXPS-UHFFFAOYSA-N 397.525 3.795 0 40 GHAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 44204216 UCXWKPJXTPOVOU-AWEZNQCLSA-N 386.477 3.742 0 40 GHAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1csc(-c2ccccc2)n1 225752799 JEJGPRFLGVMLRN-UHFFFAOYSA-N 393.516 3.809 0 40 GHAB COc1ccc(-c2nnc(SCCCOc3ccccc3C(=O)O)n2C)cc1 8731736 BTLXLZVZOXUMCW-UHFFFAOYSA-N 399.472 3.750 0 40 GHAB O=C(CCC(=O)OCC(=O)c1ccc(Cl)cc1)Nc1ccc2cc[nH]c2c1 13577133 IDIMPYUCSSHDKO-UHFFFAOYSA-N 384.819 3.966 0 40 GHAB CCOC(=O)N1CCC[C@H](C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)C1 40060279 UYSDVIAEYXKAQI-KRWDZBQOSA-N 383.492 3.742 0 40 GHAB Nc1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1C1CC1 31453615 SFHMHAJPRRLXGB-UHFFFAOYSA-N 377.558 3.781 0 40 GHAB CCCOC(=O)c1ccccc1NC(=O)c1c(O)c2ccccc2n(CC)c1=O 100672025 RKPCFOSNELXUGL-UHFFFAOYSA-N 394.427 3.546 0 40 GHAB Cc1c(C(=O)NCc2ccc(F)c(Cl)c2)nnn1-c1ccc(Cl)cc1 51318123 OISOXTALGOONIY-UHFFFAOYSA-N 379.222 3.952 0 40 GHAB CCc1ccccc1NC(=O)CNC(=O)c1ccccc1C(=O)c1cccs1 8366736 ZZNJWYHRHKYIOK-UHFFFAOYSA-N 392.480 3.910 0 40 GHAB CCn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1-c1ccccc1 2626297 OYWOIAKIYJOISD-UHFFFAOYSA-N 384.480 3.555 0 40 GHAB C[C@@H]1Oc2ccc(-c3csc(NC(=O)c4cccc(F)c4)n3)cc2N(C)C1=O 11967481 MVJXHOFFMOCDHH-NSHDSACASA-N 397.431 3.945 0 40 GHAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)NC[C@H]1CCCO1 924425 RQAKUWMCFUKVMJ-CQSZACIVSA-N 385.514 3.746 0 40 GHAB CN(C)[C@@H](CNC(=O)/C=C/c1cnn(-c2ccccc2)c1)c1ccccc1Cl 29930090 KHBMENUXVJIRHX-IWGBCORSSA-N 394.906 3.958 0 40 GHAB CCN(CC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12)C1CC1 29913288 YRGGMWFHELXKLN-NRFANRHFSA-N 391.515 3.909 0 40 GHAB COc1cc(C)c(C(=S=O)S(=O)(=O)c2ccccc2)c(C)c1C(C)C 1000245 VGFGHAQOKPBALE-UHFFFAOYSA-N 378.515 3.600 0 40 GHAB O=C(O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccnc1 1041561 XSBGREUPZKIBNU-PMACEKPBSA-N 376.387 3.786 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)NC(C)(C)C)n1-c1ccc(F)cc1 1361164 YVARCKCTEWTZFA-UHFFFAOYSA-N 388.468 3.982 0 40 GHAB CC[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccc(F)cc1 1381341 UBBOVOSUNGHJQQ-SNVBAGLBSA-N 391.251 3.841 0 40 GHAB C[C@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc2ccccc2[nH]1 32744691 HPAXYMSHEJHJIO-LBPRGKRZSA-N 382.851 3.834 0 40 GHAB CCc1ccc(-c2nc(CC(=O)NC[C@H]3COc4ccccc4O3)cs2)cc1 32722106 BRKCXRZEJATGPF-SFHVURJKSA-N 394.496 3.871 0 40 GHAB COc1ccc(OC)c(COC(=O)CCc2nnc(-c3ccc(C)cc3)o2)c1 32768961 DIENSOBFXKFWJI-UHFFFAOYSA-N 382.416 3.738 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)OCc2ccccc2)CC1 32891433 KXKXPXFRCUCQIX-UHFFFAOYSA-N 381.428 3.689 0 40 GHAB Cc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1-n1cccc1 4518584 RPQVVESDFWFAMS-UHFFFAOYSA-N 396.501 3.554 0 40 GHAB COc1ccc(Cl)cc1-n1nnc(C(=O)NCc2ccc(Cl)cc2)c1C 51317579 HUXKJRMACXQDRV-UHFFFAOYSA-N 391.258 3.821 0 40 GHAB C[C@H]1Cc2cc(C(=O)N3CCCCCC3)ccc2N1S(=O)(=O)c1ccccc1 10326105 GOYUPPJKKHAPEW-KRWDZBQOSA-N 398.528 3.843 0 40 GHAB CC(C)CC(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 100158905 NAJPYMACQCFKRK-BETUJISGSA-N 383.418 3.579 0 40 GHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)c1C 8433717 SBRJLDSBZPFEGY-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1F)c1ccc(Cl)cc1 8810015 OFDOPXRASOHYRL-UHFFFAOYSA-N 396.871 3.952 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cc1 55629864 ZOUQWTDGGQNDCJ-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCc1cccc(OC(C)C)c1 47393629 FKIPPBWNKUIUDK-UHFFFAOYSA-N 376.478 3.507 0 40 GHAB C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(Cl)cc1Cl 21918047 ICTIPBODDJXCFP-SNVBAGLBSA-N 387.288 3.856 0 40 GHAB C[C@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccccn2)CC1 100152734 XCHJHTDYPXUMNH-WNRNVDISSA-N 393.535 3.651 0 40 GHAB CCCCN1C(=O)c2ccc(C(=O)N(C)Cc3ccc(F)cc3F)cc2C1=O 22900941 FEVSHPGPVYOVAP-UHFFFAOYSA-N 386.398 3.633 0 40 GHAB CCCN(C(=O)/C=C/c1cccc(OC)c1OC)[C@H](C)C(=O)Nc1ccccc1 58172034 MBPPFJQEAYCVTB-IAOULYHDSA-N 396.487 3.983 0 40 GHAB O=C(O)c1csc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)c1 12508054 KWYKIKPQYFDSGI-BQYQJAHWSA-N 386.454 3.813 0 40 GHAB COc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cn1 12551383 FOYDXGCAYQGLEF-UHFFFAOYSA-N 385.427 3.649 0 40 GHAB O=C(CSc1nnnn1C1CCCCC1)Nc1ccccc1C(F)(F)F 1068751 LWUUFIYRZUATQF-UHFFFAOYSA-N 385.415 3.928 0 40 GHAB O=C(COC(=O)c1ccc(Br)o1)Nc1cccc(C(F)(F)F)c1 3239056 PTLFNPPPYXUKEX-UHFFFAOYSA-N 392.127 3.856 0 40 GHAB COC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccccc3C)sc2c1 20412416 UHWOOFVYZRMQHZ-UHFFFAOYSA-N 385.470 3.518 0 40 GHAB COc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1-c1ccc(CO)o1 20151585 UVTSFHQSUNNILV-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB O=C(CNC(=O)NCc1ccccc1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 25933962 FKCHNSOGRNOITO-UHFFFAOYSA-N 390.443 3.657 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 26474913 GNIFHUYKVIWZDL-QHCPKHFHSA-N 389.499 3.898 0 40 GHAB COc1cc(CC(=O)OCC(=O)c2cc(C)c(C)cc2C)cc(OC)c1OC 3370596 FCBHAHGYCIZREL-UHFFFAOYSA-N 386.444 3.606 0 40 GHAB COc1ccc(N2C[C@H](c3nc(-c4ccccc4C)no3)CC2=O)cc1OC 9318185 CDTYAVKAYHIJKK-CQSZACIVSA-N 379.416 3.583 0 40 GHAB Cc1ccc(Nc2nnc(SCC(=O)NC(=O)NC(C)(C)C)s2)c(C)c1 3315665 HATVAHPNDVZHRU-UHFFFAOYSA-N 393.538 3.615 0 40 GHAB Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(NC2CCCCC2)cc1 58157896 XWXOBLYVAIBIFI-UHFFFAOYSA-N 387.505 3.639 0 40 GHAB CN(Cc1nc2ccccc2s1)CN1C(=O)C(=O)c2c(Cl)ccc(F)c21 26553402 OMAXEWWBFFLTDD-UHFFFAOYSA-N 389.839 3.708 0 40 GHAB CSc1nc2ccsc2c(=O)n1CC(=O)Nc1cc(F)ccc1Cl 57505186 ZVPZQGZVVNWPSI-UHFFFAOYSA-N 383.857 3.611 0 40 GHAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)cc1Cl 9318551 HOSPOKFWXMHWFZ-ZDUSSCGKSA-N 397.818 3.948 0 40 GHAB Cc1cccc(N2C[C@H](C(=O)NCc3ccc(OC(C)C)cc3)CC2=O)c1C 105635729 FSNBWRZYOAZBLH-LJQANCHMSA-N 380.488 3.760 0 40 GHAB CCCc1c(C(=O)OCC)nnc2c(-c3ccc(Cl)cc3)c(COC)nn12 21006174 ZMUYEQJIIWQRSI-UHFFFAOYSA-N 388.855 3.720 0 40 GHAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(Br)c2)N1 36025428 BCRWILRGPQSYPJ-SJORKVTESA-N 385.261 3.707 0 40 GHAB biogenic COC(=O)c1cc(NC(=O)c2ccc(Br)s2)c(F)cc1F 12764581 AJEIUAABWIXRDL-UHFFFAOYSA-N 376.178 3.828 0 40 GHAB Cc1cc(C(=O)N2CC[C@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)c(C)o1 306139221 SSJARPQVSOIBDQ-QFIPXVFZSA-N 395.434 3.714 0 40 GHAB CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc(C(=O)OC)c1C 2223536 DGFAYKCCFUCBLB-UHFFFAOYSA-N 395.864 3.854 0 40 GHAB CCOc1ccccc1/C=C/C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12764208 WKWABVOZNZKKJE-JUWJPQTCSA-N 378.472 3.976 0 40 GHAB COC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cn2)o1 48356250 NLTIZLVRNPDMIK-QGZVFWFLSA-N 383.791 3.886 0 40 GHAB CC(C)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1 10929359 UGSAQKRUWIPAIV-UHFFFAOYSA-N 385.533 3.575 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(F)cc1Br 12878322 VZOHLQQHZCLAFZ-LLVKDONJSA-N 382.229 3.853 0 40 GHAB O=C1COc2cc(C(=O)N3CCc4sccc4[C@@H]3c3ccccc3)ccc2N1 12978209 FUYOITHKPLPDHN-NRFANRHFSA-N 390.464 3.867 0 40 GHAB CC(C)C1=NN(C(=O)c2ccc(Br)cc2)[C@@](O)(C(F)(F)F)C1 409061368 WMNDMVSOEHIJGK-ZDUSSCGKSA-N 379.176 3.558 0 40 GHAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(c2ccccc2F)CC1 13323398 GNGPXKGYLHKYIT-IEBWSBKVSA-N 375.532 3.669 0 40 GHAB CCC(=O)c1ccc(OCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 6029010 PLENTSRUOZCGRI-UHFFFAOYSA-N 384.472 3.987 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 8745959 OVIDBUGUPRAYNE-ZUOKHONESA-N 386.883 3.835 0 40 GHAB O=C(NC1CCCCC1)[C@H]1CCCN(C[C@H](O)c2cccc(C(F)(F)F)c2)C1 65554684 ZTCZIXZBNSDFHI-LPHOPBHVSA-N 398.469 3.900 0 40 GHAB O=C1C[C@]2(CC(c3ccc(Cl)cc3)=NO2)C(=O)N1c1ccc(Cl)cc1 5338927 ZUDKCPJWQDGADW-GOSISDBHSA-N 375.211 3.820 0 40 GHAB COc1ccc2cc(CN(C)C(=O)CCNC(=O)c3ccccc3)ccc2c1 14186696 BYOFZENYTMKAAD-UHFFFAOYSA-N 376.456 3.627 0 40 GHAB Cc1ccccc1-c1nnc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)o1 5505541 BPLIMBUEYADTNM-GOSISDBHSA-N 395.484 3.737 0 40 GHAB O=C(CCC(=O)c1cccs1)Nc1ccc(I)cc1 5560684 QCIMLZDDYFLTET-UHFFFAOYSA-N 385.226 3.954 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1C[C@H]1CCCO1 6752765 YQNRGVWBGDRCEP-LRTDBIEQSA-N 393.418 3.646 0 40 GHAB CCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@H]1c1ccc(OC)cc1 4816983 MOFCTCKTOPCRAO-OALUTQOASA-N 392.459 3.773 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(C)cc1)S2 6812171 NRXJATIPNDKIQE-OALUTQOASA-N 393.516 3.937 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)S2 6811810 NMZDATMDADRZHC-MOPGFXCFSA-N 393.516 3.855 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N2CCCC2=O)cc1 7116628 WXNZNVZETHXMKN-OAQYLSRUSA-N 389.455 3.716 0 40 GHAB CCCn1c(=O)n(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 15573778 NJAQDLUJCLUGGC-UHFFFAOYSA-N 393.365 3.750 0 40 GHAB CCOC(=O)C1CCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 7386392 BEPGEFJMLAUQHJ-GOSISDBHSA-N 394.515 3.556 0 40 GHAB COc1ccc(C2(C(=O)Nc3nc(-c4ccccn4)cs3)CCOCC2)cc1 71285858 GCIJETJVULNBIY-UHFFFAOYSA-N 395.484 3.901 0 40 GHAB CCCC(=O)Nc1ccc(OCc2cc(=O)n3cc(C)ccc3n2)c(C(C)=O)c1 7718942 FRJKRCSBMSLZDR-UHFFFAOYSA-N 393.443 3.523 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 9154122 IHYMWRFBXISHFN-UGSOOPFHSA-N 387.842 3.886 0 40 GHAB CCN(C(=O)Cn1cnc2cc(F)ccc2c1=O)c1cccc2ccccc12 16543780 ULBZUEMUHSWGOA-UHFFFAOYSA-N 375.403 3.742 0 40 GHAB Cc1c(-c2csc(NC(=O)[C@@H]3CC(=O)OC3(C)C)n2)c2ccccc2n1C 96231071 GAEAHRMPVAKKDJ-ZDUSSCGKSA-N 383.473 3.890 0 40 GHAB CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1N1CCCC1 9547768 UYDHZJZKGJBICU-UHFFFAOYSA-N 381.524 3.669 0 40 GHAB O=S(=O)(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc(F)cc1F 72273200 GGEOKCVOSAJSEP-UHFFFAOYSA-N 375.356 3.902 0 40 GHAB Cc1n[nH]c(C)c1[C@H](C)C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 97164536 LNSMBXOPSPEUOB-LBPRGKRZSA-N 385.464 3.541 0 40 GHAB OCCN(CCO)c1nc(-c2ccccc2)nc2scc(-c3ccccc3)c12 84564663 DJZYOPYYWBSQBF-UHFFFAOYSA-N 391.496 3.816 0 40 GHAB CS(=O)(=O)Nc1ccccc1NC(=O)CCCc1nc2ccccc2s1 24883166 WQHJKDXEIVYQPI-UHFFFAOYSA-N 389.502 3.629 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C(N)=O 408554636 CWYRBDCFYNUJOR-UHFFFAOYSA-N 392.786 3.567 0 40 GHAB Nn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 409090585 RJXPJKBPGYPJSI-UHFFFAOYSA-N 379.272 3.941 0 40 GHAB COc1ccc(-c2nnc(S[C@H]3CCCCC3=O)n2C[C@H]2CCCO2)cc1 68735360 LXNYNEHXXIFULM-AEFFLSMTSA-N 387.505 3.737 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1cc2c(C)cc(=O)[nH]c2cc1Cl 217438601 NTMCCKNFYPWBIK-UHFFFAOYSA-N 376.865 3.705 0 40 GHAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1 38855173 UKISAGWKLLUOQF-UHFFFAOYSA-N 376.460 3.570 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2)cc1 35290998 LMMDKXBWWNPDPF-SFHVURJKSA-N 399.422 3.637 0 40 GHAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 219583299 TWHYYWADFYIFLP-ZWKOTPCHSA-N 393.480 3.654 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1C 222899263 JDCWLRDGZACUCO-OAQYLSRUSA-N 396.531 3.748 0 40 GHAB CCOc1ccc(-c2nc(NC(=O)CC)sc2CC(=O)O)cc1OCC 85397437 ZCRSTDGGQRTDKJ-UHFFFAOYSA-N 378.450 3.583 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 223103751 TVQUCZAHZMEEGG-FQEVSTJZSA-N 382.504 3.544 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 222630849 MNRJGJUBCSOVBZ-INIZCTEOSA-N 388.508 3.531 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 225409934 NWHPEDDXKVPYAP-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB CCSc1ccccc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 225452872 PAMBOKNKMGUVNG-UHFFFAOYSA-N 392.546 3.507 0 40 GHAB COc1ccc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 44846833 KRMHHCXGZCNGNU-GFCCVEGCSA-N 375.446 3.594 0 40 GHAB Cc1cc(C(=O)Nc2ccc(Nc3ccccc3)nc2)n(C2CCOCC2)n1 528329857 IBUNDVZUQFOPTF-UHFFFAOYSA-N 377.448 3.934 0 40 GHAB O=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1ccc2c(c1)OCCO2 77101364 WRVFFAULGGQCTG-UHFFFAOYSA-N 382.351 3.823 0 40 GHAB O=C(CCc1nc(-c2cccnc2)no1)NC(c1ccccc1)c1ccccc1 225835301 IKMQVMFWMDAPKX-UHFFFAOYSA-N 384.439 3.970 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 41781298 VCCQATSVHDROSM-LLVKDONJSA-N 387.288 3.607 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 223982358 FRNFRWGDSPZXSS-UXHICEINSA-N 391.500 3.556 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NC13CC4CC(CC(C4)C1)C3)CCCC2 224737423 NIEHADWHTLLLPA-UHFFFAOYSA-N 375.534 3.821 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1C 222817215 WTKUGGZYJLADNC-UHFFFAOYSA-N 389.455 3.646 0 40 GHAB Cc1c(C(=O)N[C@@H](CO)c2cccc(C(F)(F)F)c2)nc(O)c2ccccc12 1587355372 DQUBOFMVSFAIDK-INIZCTEOSA-N 390.361 3.731 0 40 GHAB CN(C)c1cccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)c1 98212212 DKWPXIZIZCCHCN-SFHVURJKSA-N 380.423 3.919 0 40 GHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(OC)cc2OC)CC1=O 243995237 SFCXEPBXHMVEKU-QGZVFWFLSA-N 396.487 3.820 0 40 GHAB CCc1nnsc1C(=O)N1CCC[C@H](c2ccc(-c3c(C)noc3C)cn2)C1 257240016 HRSKBEIDTGWOSQ-HNNXBMFYSA-N 397.504 3.787 0 40 GHAB CC(C)[C@@H]1COC(=O)N1c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)cn1 257225570 FGTQXDWRPDCZAX-INIZCTEOSA-N 390.484 3.572 0 40 GHAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4cccnc4)C3)o2)c1 257333874 YDMCULXBNCWESM-SFHVURJKSA-N 377.444 3.689 0 40 GHAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(C(=O)c1ccncc1)CCO2 257280940 OMZUCENOOTVBOL-FUDKSRODSA-N 398.478 3.866 0 40 GHAB CCCC[C@H]1Oc2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2NC1=O 252488844 JAFYNTXLBAXZIX-QGZVFWFLSA-N 378.425 3.516 0 40 GHAB Cc1nc(-c2ccc(C(=O)N3CCNC(=O)[C@H]3c3ccccc3F)cc2)cs1 685046939 FFUMXFYPPJWEBS-LJQANCHMSA-N 395.459 3.571 0 40 GHAB CO[C@@](C)(C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1)C(=O)OC(C)(C)C 596893924 JNRGIILRJLWZMN-IBGZPJMESA-N 394.468 3.943 0 40 GHAB O=C(Cn1c(=O)c(-c2ccccc2)nc2ccccc21)Nc1cc(F)ccc1F 90610104 WVUNCIWBWLXCLQ-UHFFFAOYSA-N 391.377 3.980 0 40 GHAB CO[C@@](C)(CNS(=O)(=O)Cc1cc(F)ccc1F)c1cccc(Cl)c1 96392979 DFKFDIASTXTIRB-KRWDZBQOSA-N 389.851 3.599 0 40 GHAB CC(=O)Nc1ccc(CN2CCC[C@@](O)(COc3ccccc3F)CC2)cc1 585270164 HJIIRNOLPDFLPA-QFIPXVFZSA-N 386.467 3.580 0 40 GHAB Cc1cc(N=c2[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)cn3cccc23)n[nH]1 585263085 JJTAMFXFCNVUAS-UHFFFAOYSA-N 396.495 3.646 0 40 GHAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)o1 53642903 RXMQDYMXXZLCCM-LPHOPBHVSA-N 393.487 3.778 0 40 GHAB O=S(=O)(Nc1ccc(OC2CCCC2)cc1)c1cnn(-c2ccccc2)c1 58358231 VUZVBGFWRLRFMQ-UHFFFAOYSA-N 383.473 3.995 0 40 GHAB C[C@H](C(=O)N[C@H](CC(=O)O)Cc1cc(F)c(F)cc1F)c1ccccc1F 666370088 JHQDSXKTUZJGFG-JQWIXIFHSA-N 383.341 3.549 0 40 GHAB COc1ccc(Cn2cccc(NC(=O)Nc3ccc(F)cc3F)c2=O)cc1 5000878 XUAZFDSQGGCBRK-UHFFFAOYSA-N 385.370 3.827 0 40 GHAB CCc1cc(C(F)(F)F)n2nc(C3CCN(C[C@H]4CCOC4)CC3)cc2n1 12160597 PIXLKHSBZOBUEV-CYBMUJFWSA-N 382.430 3.526 0 40 GHAB CC1CCN(CCCNC(=O)CSCc2ccc(Br)cc2)CC1 13670866 LUDWRHBXTJUMCB-UHFFFAOYSA-N 399.398 3.921 0 40 GHAB COCc1ccc(-c2cc(O)n3ncc(C(=O)Nc4ccc(C)cc4)c3n2)cc1 19210726 KVKYFBCVJVIGAZ-UHFFFAOYSA-N 388.427 3.809 0 40 GHAB O[C@H](c1nccs1)c1cccc(F)c1N1CCN(Cc2ccsc2)CC1 19292782 APQCMMPRQKKKJM-SFHVURJKSA-N 389.521 3.748 0 40 GHAB CCc1s/c(=N\c2ccc(Br)cc2)n(C(C)=O)c1OC(C)=O 5375739 GOBMOFLBZJWBMM-ICFOKQHNSA-N 383.267 3.692 0 40 GHAB COc1ccc(C)cc1CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 257247828 JASBZPIQGMDCNE-BSRJHKFKSA-N 381.520 3.564 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccnc2)cc1 6244606 WWJKUOIVFBPZEE-UHFFFAOYSA-N 397.456 3.533 0 40 GHAB Fc1cc(F)c2nc(N3C[C@@H]4CN(c5ncccc5F)C[C@@H]4C3)sc2c1 2087048839 FZOVBFVNPMCASM-PHIMTYICSA-N 376.407 3.681 0 40 GHAB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Br)s2)NC(=O)N1 717813 SAHBMNOKGVFJKQ-ZDUSSCGKSA-N 385.283 3.624 0 40 GHAB Cc1ccc(C[C@H]2SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 3671609 LDTRIHFEIKUUCM-HXUWFJFHSA-N 379.529 3.666 0 40 GHAB CCc1ccc2nc(N(CCN(C)C)C(=O)COc3ccccc3)sc2c1 5115409 MBFZHWSKWYTAIM-UHFFFAOYSA-N 383.517 3.832 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 11612818 GISCIRSRHYZMHM-SFHVURJKSA-N 390.480 3.706 0 40 GHAB COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)cc1 21684360 GSRSXVWPMPUSTH-UHFFFAOYSA-N 378.457 3.980 0 40 GHAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCS[C@@H](c2ccco2)CC1 219458675 OOIRIWQSWPZXIU-MRXNPFEDSA-N 383.539 3.543 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cn1 40073464 FAKDPPLFOOEMBQ-OAHLLOKOSA-N 394.258 3.640 0 40 GHAB COc1cccc([C@H]2CCCN2C(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 40038975 CHKFLXCWXHIMQD-MJGOQNOKSA-N 382.485 3.862 0 40 GHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)n[nH]2)s1 40154856 OJWQNECZNKXEMO-CHWSQXEVSA-N 397.504 3.708 0 40 GHAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccnc3)c3ccccc3C(=O)N2C)cc1 40287378 XNBIGFDQAOFDGM-LEWJYISDSA-N 387.439 3.639 0 40 GHAB CN1C(=O)CC[C@@H](C(=O)Nc2cccc(Br)c2)[C@@H]1c1ccccc1 20720503 IOPDKNLCEGXIIX-AEFFLSMTSA-N 387.277 3.997 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N3)cc1 20720479 SWLKKYDOXJHBKR-MRXNPFEDSA-N 395.850 3.737 0 40 GHAB COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2cccc(OC)c2)CC(O)=N3)cc1 20739901 ZKYIJJYBOCXWRO-GOSISDBHSA-N 392.415 3.739 0 40 GHAB CON(C)C(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 32315912 HNGSDKGQAHDUNW-UHFFFAOYSA-N 390.505 3.663 0 40 GHAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c(C)n1C 2616289 NHTRYZOZVMFGAT-QHCPKHFHSA-N 395.503 3.589 0 40 GHAB CCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccccc2c1=O 2634763 TWXDTYDHGYOLBZ-UHFFFAOYSA-N 383.473 3.546 0 40 GHAB O=C(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)NCc1ccco1 882214 JKDHTDFDURQXBZ-UHFFFAOYSA-N 378.428 3.894 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCS(=O)(=O)c1ccc3c(c1)CCC3)C2 102165786 GPXJQKRGKOGWTC-KPLVRAHFSA-N 389.561 3.670 0 40 GHAB Cc1ccc(-c2noc(CSCc3cc(=O)n4ccsc4n3)n2)cc1F 32778683 RNRSHMOKRRJUNI-UHFFFAOYSA-N 388.449 3.687 0 40 GHAB CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccccc1 3501321 HKBJVPDJLAKKLI-UHFFFAOYSA-N 383.473 3.957 0 40 GHAB COc1ccc(CCN(C)C(=O)NCc2nc3ccccc3s2)cc1OC 32863412 SGOGKRBCKIGEFL-UHFFFAOYSA-N 385.489 3.698 0 40 GHAB Cc1nc2c(c(SCC(=O)Nc3ccc(Br)cc3)n1)CCC2 12016610 UBAMSDNDXXCKOI-UHFFFAOYSA-N 378.295 3.767 0 40 GHAB NC(=O)c1ccsc1NC(=O)CSc1nc2cc(Cl)ccc2s1 6322640 UKMVALGUJBNEFJ-UHFFFAOYSA-N 383.907 3.841 0 40 GHAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S 6635805 XTWYRRIJMBWDTD-NCPSJORJSA-N 395.502 3.548 0 40 GHAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(Nc2ccc(C(C)C)cc2)s1 6821366 WLGGOUOPFWLNSB-LLVKDONJSA-N 393.538 3.731 0 40 GHAB CCOc1ccccc1/C=C1/SC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 6933688 IMGKGBJEMOOGFU-MHWRWJLKSA-N 387.413 3.701 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)o2)c1C 7195374 SVWYQWHVISYMRL-LLVKDONJSA-N 389.433 3.733 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N(C)Cc2ccccc2Cl)cc1 7929666 YVXFUHRKQNYMSJ-MRXNPFEDSA-N 387.911 3.566 0 40 GHAB COc1ccccc1C(=O)OCC(=O)Nc1cc(C)c(Br)c(C)c1 8433643 TUNDJXJLNQGGCC-UHFFFAOYSA-N 392.249 3.870 0 40 GHAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1S(=O)(=O)NC(C)C 8475884 SMHKSFKOTHYLMY-UHFFFAOYSA-N 396.896 3.596 0 40 GHAB CCCCCOc1ccc(/C=C2/SC(=O)N(CN3CCOCC3)C2=O)cc1 20265865 FARYVLLSIVCCFQ-NBVRZTHBSA-N 390.505 3.582 0 40 GHAB Cc1cc(C)cc(-n2ncc3c(=O)n(Cc4nc5ccccc5s4)cnc32)c1 22878834 LUHTVLPLEUPTJO-UHFFFAOYSA-N 387.468 3.857 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1 104355661 UWWLVXIHRIMBNN-CQSZACIVSA-N 380.469 3.938 0 40 GHAB COc1ccc([C@H](C)NC(=O)NCCCCN2C[C@@H](C)C[C@@H](C)C2)c(OC)c1 58159825 MSSRICLKSTZNHL-KSZLIROESA-N 391.556 3.822 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)cc1 27525761 OELFRKBQPIMGOU-UHFFFAOYSA-N 385.445 3.778 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2C)c(C)c1 71327204 BAALVVCBWZLOOK-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 113943377 BKHFDEVVGZLSEG-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB Cn1c([C@@H]2CCCCN2C(=O)c2ccc([S@](C)=O)cc2)nc2ccccc21 56132442 PCEFBOKTIBBPIX-UZTOHYMASA-N 381.501 3.678 0 40 GHAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Cl)cc1OC 104052600 VBKDFTLYNGVNJU-MFOYZWKCSA-N 386.860 3.518 0 40 GHAB CCc1cc(=O)n(CC(=O)N(C)c2cccc(Cl)c2)c(-c2cccc(F)c2)n1 57508300 BZZDPJBDSHJXHC-UHFFFAOYSA-N 399.853 3.928 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cc(C)ccc2C)c(-c2cccc(F)c2)n1 57508222 NNTGYHUKKRWJOK-UHFFFAOYSA-N 379.435 3.867 0 40 GHAB CC(C)(C)c1ccc(N(CC(=O)Nc2cccc(F)c2)S(C)(=O)=O)cc1 10336828 PFWSQBATKWMYBC-UHFFFAOYSA-N 378.469 3.528 0 40 GHAB O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)Nc1cc(F)ccc1F 28918491 YBOVJXRTHPOVEO-UHFFFAOYSA-N 385.366 3.924 0 40 GHAB OC1=Nc2nc(N3CCOCC3)sc2[C@H](c2cccc(Br)c2)C1 36360046 PRXRKFAOLBXZTE-LBPRGKRZSA-N 394.294 3.866 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)N(C)[C@@H](C)c3ccccc3)c12 28477905 NEKOGDJRLLVMPB-AWEZNQCLSA-N 393.443 3.785 0 40 GHAB O=C(Cn1c(CNC(=O)c2cccs2)nc2ccccc21)Nc1ccccc1 12639726 KRXCDPRZSTWTSR-UHFFFAOYSA-N 390.468 3.667 0 40 GHAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(I)cc1 12619164 YIVHTRNIDVESLE-LBPRGKRZSA-N 392.240 3.681 0 40 GHAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(/C=C/C(=O)O)cc1 28913865 JOWBUNOXSWKYSC-VMPITWQZSA-N 381.837 3.556 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)c3cc(C)n(C[C@H]4CCCO4)c3C)ccc12 3364967 INPBOVQYYFBMKO-GOSISDBHSA-N 395.455 3.960 0 40 GHAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(-n2cccn2)cc1 48261922 IRXLWBZJOKXFSX-UHFFFAOYSA-N 375.476 3.578 0 40 GHAB CC(C)CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12782299 OFQGFAVCPLMXLB-INIZCTEOSA-N 398.544 3.557 0 40 GHAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccc(-n2cnnn2)c1 12765193 RQEXXUNLXKIGAZ-UHFFFAOYSA-N 382.836 3.692 0 40 GHAB O=C(CCCNC(=O)c1cccs1)Nc1ccc(Br)cc1F 12892131 SNYIEMFIIBEWEY-UHFFFAOYSA-N 385.258 3.798 0 40 GHAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(-n2cnnn2)cc1 12810967 HQBGCNQVOBPIHP-KRXBUXKQSA-N 393.756 3.986 0 40 GHAB CC[C@H](NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccccc1 20040420 SMGVHKKRNXYLMP-PXNSSMCTSA-N 388.533 3.725 0 40 GHAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 13323447 LFEXKAZBKSPLLE-WOJBJXKFSA-N 375.532 3.669 0 40 GHAB CCCNC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 5017866 AKQSVLOYWFGEPW-UHFFFAOYSA-N 381.423 3.879 0 40 GHAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)c1 4373476 OLMOPOXHMMZUSB-IBGZPJMESA-N 375.432 3.523 0 40 GHAB Cc1ccc(O[C@H](C(=O)N2CCOCC2)c2ccccc2)c(Br)c1 14086546 WNNJCDJNIFSKDU-SFHVURJKSA-N 390.277 3.736 0 40 GHAB O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1ccc2c(=O)[nH]c(S)nc2c1 65595611 NOSIXYVQSAUYOI-AWEZNQCLSA-N 393.390 3.635 0 40 GHAB C[C@H](C(=O)Nc1ccc(Br)cc1F)n1cc(Br)cn1 28224086 IJNQRVASYUHTOW-SSDOTTSWSA-N 391.038 3.747 0 40 GHAB CCCCNC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 4689708 ISPPFJSIAULEMF-INIZCTEOSA-N 390.505 3.550 0 40 GHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 5557623 XRWBMVOSLHJYJH-KRWDZBQOSA-N 386.517 3.742 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccs1 5637891 GFXRVNWFQIOVEJ-UHFFFAOYSA-N 394.518 3.574 0 40 GHAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1CCCC[C@@H]1C 4871411 NSBQCKQJQJLXKJ-KBPBESRZSA-N 387.480 3.555 0 40 GHAB CCOc1ncccc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 4980053 VKQSFMWWWJPILD-UHFFFAOYSA-N 377.448 3.718 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6968562 OHOQUYOMXLIIPC-CYBMUJFWSA-N 382.441 3.987 0 40 GHAB CN(C)c1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1 7002845 WAASIAFBYHLQHA-UHFFFAOYSA-N 397.250 3.596 0 40 GHAB CC(C)(C)c1cc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)on1 7684398 XHYIQSGFBQQYLM-INIZCTEOSA-N 399.491 3.909 0 40 GHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CC=C(c2ccccc2)CC1 7650956 PRIZSKIJHPSUPJ-UHFFFAOYSA-N 375.472 3.540 0 40 GHAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nccs3)cc2)c1C 16641435 UOHNFPOTKLCCSR-UHFFFAOYSA-N 387.486 3.813 0 40 GHAB O=C([C@@H]1CN(C(=O)c2cc3ccccc3o2)c2ccccc2O1)N1CCCCC1 8189720 YWHSPOKXFDDVJG-NRFANRHFSA-N 390.439 3.853 0 40 GHAB O=C(CSCc1ccccc1)Nc1ccccc1C(=O)NCc1cccnc1 408562608 DDSAWIDCDQRMAG-UHFFFAOYSA-N 391.496 3.884 0 40 GHAB CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CCCS(C)(=O)=O 96012097 HTWREWOZPALJCZ-GOSISDBHSA-N 392.565 3.560 0 40 GHAB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)[C@@H]2CCCO2)cc1 9308177 LMJHXQDABIGFHT-FQEVSTJZSA-N 392.455 3.557 0 40 GHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)C1(n2cnnn2)CCCCC1 96223481 PPFHTEZXZKOEEI-QGZVFWFLSA-N 398.898 3.661 0 40 GHAB COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccc(F)c4)C2)OC3)c1 306130448 JGNWBHNDDDJTJZ-QHCPKHFHSA-N 393.462 3.873 0 40 GHAB COC(=O)Cn1ccc(NC(=O)Nc2ccccc2Oc2cccc(F)c2)n1 97164669 SPQWLIPVSOWKCI-UHFFFAOYSA-N 384.367 3.632 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1 20030054 HZWYRGGXXJBHES-SNVBAGLBSA-N 388.258 3.636 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1cccc(Cl)c1 79491747 HZEQIKGLCGCXAP-MRXNPFEDSA-N 379.869 3.832 0 40 GHAB O=C(c1ccc2ccccc2n1)N1CCc2c(ncn2CCc2ccccc2)C1 95456446 SNTXNZHGIXIQQN-UHFFFAOYSA-N 382.467 3.873 0 40 GHAB Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H]3CCn4cncc4C3)cn2)c1 95972821 FJHZFXCVZHVHHB-GOSISDBHSA-N 376.460 3.566 0 40 GHAB CC(C)Cc1nnc([C@@H](C)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)o1 95957579 SPOAWEZTGSDDKL-QGZVFWFLSA-N 392.507 3.608 0 40 GHAB Cc1ccnc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Br)c2C)c1 28234639 QNDOJWLMTQQVAQ-SECBINFHSA-N 391.191 3.876 0 40 GHAB CCCC[C@@H](NC(=O)NCC)C(=O)N[C@@H](C)c1cccc(Br)c1 89950217 FCTMSWHQRWYHNT-SWLSCSKDSA-N 384.318 3.504 0 40 GHAB CCCn1nccc1C(=O)Nc1c(C)nn(COc2ccc(F)cc2F)c1C 28240302 WOVGSQLPLBPKMO-UHFFFAOYSA-N 389.406 3.673 0 40 GHAB Cc1cc(C)n(Cc2nn3c(Cc4c(Cl)cccc4Cl)nnc3s2)n1 36366290 ULGXYLMMBRVIBX-UHFFFAOYSA-N 393.303 3.945 0 40 GHAB CCC[C@@H](c1nnnn1C(C)C)N1CCN(c2cc(Cl)ccc2C)CC1 35291446 CFVUBJYMUHUNSE-KRWDZBQOSA-N 376.936 3.879 0 40 GHAB CC(C)(C)c1ccccc1OCCNC(=O)Nc1ccc(-n2cncn2)cc1 1521769921 JIATVTWYZJQWMJ-UHFFFAOYSA-N 379.464 3.765 0 40 GHAB Cc1cc(Oc2ccc(F)cc2)nc(C2CCN(C(=O)c3cnccn3)CC2)n1 72362174 GGBJELGMPOOOGB-UHFFFAOYSA-N 393.422 3.526 0 40 GHAB Cc1sc2nc(CSCC(=O)Nc3ccc4cc[nH]c4c3)[nH]c(=O)c2c1C 36352577 RICXMPADDCAELG-UHFFFAOYSA-N 398.513 3.955 0 40 GHAB O=C(CCc1ccccc1)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 33268522 FOLBVTZQWZMWOZ-UHFFFAOYSA-N 399.450 3.845 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)N(C)Cc1nc(-c2cccs2)no1 219570596 LIQGCMCXFRCQKE-CYBMUJFWSA-N 387.461 3.623 0 40 GHAB Cc1nc2oc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2 37866377 QMVLPVPRXHAUAW-UHFFFAOYSA-N 375.432 3.938 0 40 GHAB CCSc1nnc(NC(=O)CN(C)c2nc3c(C)ccc(C)c3s2)s1 70973927 XMINWAJPALYQKA-UHFFFAOYSA-N 393.563 3.952 0 40 GHAB COc1ccc(CNC(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)cc1 70637138 HHVFJZIGSWVMGE-UHFFFAOYSA-N 398.850 3.708 0 40 GHAB COc1cccc(-c2cc(C(=O)Nc3nc4c(s3)[C@H]3CC[C@@H](C4)N3C)no2)c1 72325667 UEKKDJOEZHXFSL-BLLLJJGKSA-N 396.472 3.750 0 40 GHAB CCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCc1ccccc1 217516027 KUGPAQMZMAFMHO-UHFFFAOYSA-N 390.505 3.508 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 225291750 VIKQHYJXEXIIIQ-JOCHJYFZSA-N 382.552 3.933 0 40 GHAB C[C@@]1(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)CC1(Cl)Cl 44657113 CFAFXEFVTNGAQQ-KRWDZBQOSA-N 378.259 3.534 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 224701926 UHOUICXFASFAAW-IBGZPJMESA-N 382.504 3.626 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 225839265 JNZYAWPNTJIPJD-NYMSWMIGSA-N 396.512 3.832 0 40 GHAB CCCCCn1ccc2c(nnc3c(-c4ccc(F)cc4)c(CC)nn32)c1=O 40391602 NIHGNPDOJHOATG-UHFFFAOYSA-N 379.439 3.998 0 40 GHAB CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1)c1ccccc1 40130928 HJCHLVMHHCBXAP-KRWDZBQOSA-N 390.505 3.644 0 40 GHAB COc1cc(-c2noc([C@@H]3C[C@H]3c3csc(Br)c3)n2)ncn1 528214879 PTQWIBRGYFONGD-DTWKUNHWSA-N 379.239 3.630 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 224764527 MZYNFWPVBPELSK-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)nc1 222818289 QVCSGLHWWCGIAZ-PMACEKPBSA-N 377.517 3.957 0 40 GHAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3cc(C)oc3C)c2C(=O)O)cc1 96296934 HHENWZRQNDMGRH-LLVKDONJSA-N 384.388 3.749 0 40 GHAB biogenic,in-vitro C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)c2cccc(O)n2)C1 257231309 GGDCWCNGSHFHQI-JOCHJYFZSA-N 395.434 3.699 0 40 GHAB O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2c(O)nc(N3CCCCC3)nc2N1 585655769 FZAJVMLLMMOKBI-ZDUSSCGKSA-N 392.381 3.665 0 40 GHAB C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3N2)C1 253589824 ACHZRINMTVBHMB-UUWCXCJTSA-N 381.520 3.623 0 40 GHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)S1 260769284 LHPOKNCOWZPSLN-UIAACRFSSA-N 375.501 3.916 0 40 GHAB CN(Cc1ccc(OCc2ccccn2)cc1)C[C@H](O)COC1CCCCC1 585262525 KRCQHOZYFUJNJQ-NRFANRHFSA-N 384.520 3.803 0 40 GHAB O=C(OCc1nc(-c2ccsc2)no1)[C@H]1CC(c2ccc(Cl)s2)=NO1 52152162 RFCAXHQBCFGOSP-SNVBAGLBSA-N 395.849 3.749 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2ccc(-c3cccs3)[nH]c2=O)c(OC)c1 69163259 RMJKXZBNKGPFHS-GFCCVEGCSA-N 384.457 3.612 0 40 GHAB Cc1cc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cc(C)c1O 1615152743 CXZHCDBEAQTGHJ-QHCPKHFHSA-N 398.478 3.546 0 40 GHAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccnc1 5687524 NUWGUNPUZGOKEK-OAHLLOKOSA-N 398.315 3.879 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1 5872929 BQWXYZWFIOMZQQ-UHFFFAOYSA-N 385.489 3.807 0 40 GHAB COc1ccc(O[C@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 11716385 MKPPPAOOAPVUGE-GOSISDBHSA-N 382.504 3.765 0 40 GHAB COc1ccc(-c2nc(NCCCN3CCCCC3)ncc2-c2ncc[nH]2)cc1 12221395 KVLHPWDBKZYABE-UHFFFAOYSA-N 392.507 3.830 0 40 GHAB O=C(Cc1ccccc1Cl)N1CCC(c2noc(-c3ccncc3)n2)CC1 12669030 FVCMTARWNOOISC-UHFFFAOYSA-N 382.851 3.734 0 40 GHAB NS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1 15630033 OIHJJUMEKMFQSY-UHFFFAOYSA-N 392.889 3.968 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC(=O)c2cccs2)cc1 17320750 UDJDGTRWNVRCAD-UHFFFAOYSA-N 380.425 3.659 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cc[nH]n3)cc2n1 19452326 ZGUHUEHNWSAGON-CQSZACIVSA-N 392.385 3.572 0 40 GHAB CN1CCN(Cc2ccccc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O 19589692 XFCMBNMSPWPHRQ-QHCPKHFHSA-N 385.511 3.882 0 40 GHAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)s1 5099572 NKYXUQUMYLAUBF-UHFFFAOYSA-N 390.530 3.801 0 40 GHAB O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)C1c2ccccc2Oc2ccccc21 5193471 IVYFDFYADNHIHE-INIZCTEOSA-N 384.435 3.846 0 40 GHAB CCOCC(=O)Nc1c(C(=O)Nc2cc(OC)ccc2OC)oc2ccccc12 5107058 MSKUDTOACBJAKN-UHFFFAOYSA-N 398.415 3.677 0 40 GHAB CC1(C)COc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2NC1=O 9173494 CYCREDBAZPHFLF-UHFFFAOYSA-N 386.882 3.559 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1ccccc1Cl 22732489 OYCGEFJCIPMTNK-CYBMUJFWSA-N 398.937 3.974 0 40 GHAB COc1ccc(-c2nc(CCNS(=O)(=O)c3ccc(C)cc3)cs2)cc1 4166922 XHRPISOSEIRSPG-UHFFFAOYSA-N 388.514 3.648 0 40 GHAB CN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2F)[C@@H]1c1ccccc1 20427377 WVPYJSSJSQHSOK-GUYCJALGSA-N 391.240 3.746 0 40 GHAB COc1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1OC 8344560 VZTABVGZOMGCJN-UHFFFAOYSA-N 394.475 3.837 0 40 GHAB CCOc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccccc3OC)no2)cc1 32624319 JONMBEPMUHNIJU-ZDUSSCGKSA-N 383.404 3.550 0 40 GHAB CCc1ccc2c(c1)c1nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)nc1n2C 1366172 XXYINPRZQUYFMZ-ZIAGYGMSSA-N 397.548 3.961 0 40 GHAB Cc1ccc(C)c(N2N=C(C(=O)NCC3(c4ccccc4)CC3)CCC2=O)c1 21523839 QLHRNMNOMSQWQN-UHFFFAOYSA-N 375.472 3.634 0 40 GHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 32898919 JQIJPVWFPLUCKQ-UHFFFAOYSA-N 375.827 3.849 0 40 GHAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1csc(-c2cccs2)n1 32823471 WUTVOPJAPZTWFK-INIZCTEOSA-N 399.541 3.675 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)NC(C)C)n2-c2ccc(C)cc2)cc1 4837929 QSZSGLWCRRFVBA-UHFFFAOYSA-N 396.516 3.868 0 40 GHAB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1cccc(Cl)c1Cl 6962074 DEPQHYSXXIFCJE-GHXNOFRVSA-N 377.231 3.503 0 40 GHAB CCOCCCNC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604424 DVVROKQHIYSCBL-UHFFFAOYSA-N 384.863 3.985 0 40 GHAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(C)c(C)c1 7939829 DULJJXVJSMDCBS-UHFFFAOYSA-N 382.460 3.766 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 10314791 CJWLTZPUYBFLGD-UHFFFAOYSA-N 380.469 3.578 0 40 GHAB C[C@H](C(=O)Nc1cccc(Cl)c1)n1ncc(-c2ccc(Cl)cc2)nc1=O 33324647 NVPZTLBFJVJTBI-LLVKDONJSA-N 389.242 3.812 0 40 GHAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 103219228 ONBUIYNTGMIXGT-JLHDJQRBSA-N 396.512 3.972 0 40 GHAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)NC(C)(C)C 679380 USNILIXQNPQMCV-UHFFFAOYSA-N 386.492 4.000 0 40 GHAB CCn1nc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c2ccccc2c1=O 47221206 CGGMBENKPPUKHU-UHFFFAOYSA-N 377.231 3.558 0 40 GHAB O=C1C[C@@H](Nc2ccccc2Br)C(=O)N1c1ccccc1Cl 101111294 OBBREDCSXLIGPU-CYBMUJFWSA-N 379.641 3.847 0 40 GHAB O=C(CCN1CCN(Cc2cccs2)CC1)Nc1ccc(Cl)cc1F 22932274 ULXQFGJCTLLZCB-UHFFFAOYSA-N 381.904 3.687 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1 21379868 MPMOYVHIFQESEY-OAHLLOKOSA-N 380.469 3.993 0 40 GHAB COc1ccc(CCNC(=O)c2csc(-c3cccc(OC)c3OC)n2)cc1 23075002 KLQLRRUAIONWJQ-UHFFFAOYSA-N 398.484 3.808 0 40 GHAB Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)N1CCCCCC1 28234170 NBAOXFQTHOMGJK-UHFFFAOYSA-N 382.224 3.766 0 40 GHAB Cc1cnc2c(S(=O)(=O)Oc3ccc(-c4noc(C)n4)cc3)cccc2c1 12588897 GPIYHLVPAXWCIQ-UHFFFAOYSA-N 381.413 3.669 0 40 GHAB Cc1ccn(-c2ccc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)cc2)n1 28246846 LMAPBLTVGAXGKJ-UHFFFAOYSA-N 386.459 3.901 0 40 GHAB Cc1csc([C@](O)(CC(=O)Nc2cc(Cl)ccc2O)C(F)(F)F)n1 57550152 NBSFAOFUIYVJGB-CYBMUJFWSA-N 380.775 3.589 0 40 GHAB COC(=O)C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1cccs1 24485615 GJRMTNXZBLPVNJ-LLVKDONJSA-N 394.301 3.638 0 40 GHAB O=C(NC[C@H]1CCN(CC(F)(F)F)C1)N[C@H](c1ccc(Cl)cc1)C1CC1 43717553 UUVAWHXXIDBZSJ-WBMJQRKESA-N 389.849 3.975 0 40 GHAB Cc1nn(C)c(C)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 29506386 HEBVCGRWCACECG-UHFFFAOYSA-N 388.515 3.584 0 40 GHAB COc1ccc(-c2cc(CN3CCN(c4ccc(C(C)=O)cc4)CC3)on2)cc1 57478207 QXMZTXUFTUAXLC-UHFFFAOYSA-N 391.471 3.875 0 40 GHAB CCSc1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 55648951 CEOVIFOYNHRGTK-UHFFFAOYSA-N 376.503 3.726 0 40 GHAB COC(=O)c1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 57970349 WWPLBLVMIQSTJA-UHFFFAOYSA-N 378.394 3.814 0 40 GHAB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OCC(C)C)cc3)cc2)CC1 20977850 XQTPCJPIEKFHFG-UHFFFAOYSA-N 395.503 3.642 0 40 GHAB CCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(Cl)s1 12683562 HHBDHZHZLOKUFB-UHFFFAOYSA-N 391.924 3.754 0 40 GHAB C[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(-n2ccnc2)cc1 10164049 DWVOTJRCCWJEDJ-CQSZACIVSA-N 397.862 3.717 0 40 GHAB Cc1sc2nc(S[C@H](C(N)=O)c3ccccc3)n(C(C)C)c(=O)c2c1C 10286646 LSRASULCDQMTCE-HNNXBMFYSA-N 387.530 3.974 0 40 GHAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(F)c1)N(CCN(C)C)C3=O 10233100 VVSUTMOWFLIFNY-HXUWFJFHSA-N 394.446 3.656 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 20493913 ZGQQEVMPZUSPFZ-KRWDZBQOSA-N 377.824 3.931 0 40 GHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(Cl)ccc1OC)cn2C 22237262 UWJNBKCNIKNSAF-UHFFFAOYSA-N 386.835 3.852 0 40 GHAB CCCCCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 2310978 DFGWAESETGSVFB-UHFFFAOYSA-N 377.448 3.728 0 40 GHAB COc1cc(-c2ccccc2)sc1C(=O)NCCC(=O)Nc1ccccn1 48235071 DLXAXIHLDJKNGT-UHFFFAOYSA-N 381.457 3.577 0 40 GHAB COc1ccc(-c2cc(COC(=O)c3ccc(N4CCCC4=O)cc3)on2)cc1 12778968 HYUIHHIJWXCSPR-UHFFFAOYSA-N 392.411 3.834 0 40 GHAB CC/C(Nc1ccccc1F)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 18153740 GYLFPTDEYXSSON-JQIJEIRASA-N 387.798 3.838 0 40 GHAB CCC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 3562801 CHDXBEITRRAIFT-UHFFFAOYSA-N 394.471 3.923 0 40 GHAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(C(=O)O)(c2ccccc2)CC1 13185150 YLROHNNBQREDNZ-UHFFFAOYSA-N 377.362 3.964 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 4121566 VNXNNBKWLYKDBX-UHFFFAOYSA-N 382.416 3.580 0 40 GHAB O=C(CSc1n[nH]c2nc3ccccc3n12)Nc1nc2ccccc2s1 13638501 WNXZYOXHNWAMFB-UHFFFAOYSA-N 380.458 3.551 0 40 GHAB O=C(c1cccc(Cl)c1)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 5119573 KOCZZQQBOJPYMN-INIZCTEOSA-N 398.311 3.823 0 40 GHAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1 8746180 JUZWIQWGVSHJQQ-FQEVSTJZSA-N 395.459 3.780 0 40 GHAB CC(=O)Nc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 5350748 FCEQRVYWZRWEKY-UHFFFAOYSA-N 376.412 3.597 0 40 GHAB C[C@@H]1CCc2ccccc2N1C(=O)CN1CCC(C(=O)Nc2ccccc2)CC1 14140674 JAGYAIVVJVZOOD-GOSISDBHSA-N 391.515 3.705 0 40 GHAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1cc(C(F)(F)F)ccc1Cl 4549292 WVKCZEDHEGIRAB-UHFFFAOYSA-N 381.745 3.651 0 40 GHAB Cc1ccc(F)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 6510425 FWUDDMRTFYIVPX-UHFFFAOYSA-N 386.448 3.547 0 40 GHAB COc1ccc(CC(=O)N[C@@H](C)c2ccccc2Br)cc1OC 14425929 HEWIWSXBWJNFJM-LBPRGKRZSA-N 378.266 3.886 0 40 GHAB CCn1nnc2cc(C(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)ccc21 6650536 QUNGDGGGQVEBDG-INIZCTEOSA-N 394.504 3.552 0 40 GHAB Cc1ccc(SCCNC(=O)CSc2nncn2-c2ccccc2)cc1 5702165 FACGEMTXZWRICK-UHFFFAOYSA-N 384.530 3.576 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1C)S2 6812161 ZYTIRMMVWMYNGX-RBUKOAKNSA-N 393.516 3.937 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(-n2ccnc2)cc1 7050234 HNRODBCVCYNGIH-GFCCVEGCSA-N 379.844 3.704 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 7104832 VCOKTXFFXLBZKR-MRXNPFEDSA-N 381.451 3.808 0 40 GHAB O=C(CCn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccccc1F 15525147 YPFBUHHDMXWDNS-UHFFFAOYSA-N 379.317 3.527 0 40 GHAB O=C(COc1ccc(Br)cc1F)Nc1nnc(-c2ccccc2)o1 7200607 CCLZZSBAHRBUHE-UHFFFAOYSA-N 392.184 3.656 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(Cc2ccccc2)CC1 7341737 JRUNCCCZMGPBST-GOSISDBHSA-N 391.515 3.705 0 40 GHAB O=S(=O)(Nc1ccccc1OC(F)F)c1ccccc1Br 7409142 GRIDNXKBBVVAKE-UHFFFAOYSA-N 378.194 3.851 0 40 GHAB COc1ccc(C(C)=O)cc1CSCc1nc(N)nc(Nc2ccccc2)n1 7851349 KXONPERQSMTKQK-UHFFFAOYSA-N 395.488 3.842 0 40 GHAB C[C@@H]1CCc2ccccc2N1CC(=O)N(C)CC(=O)Nc1ccccc1Cl 16339063 KQJCVFPKGSXTEM-OAHLLOKOSA-N 385.895 3.578 0 40 GHAB O=C(CN1CCc2sccc2C1)N1CCC[C@H](c2nc3ccccc3o2)C1 70022200 VKPHEJNHPOUHIB-INIZCTEOSA-N 381.501 3.654 0 40 GHAB Cc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)o1 69348533 IXQMHPKGYAWPST-ZDUSSCGKSA-N 380.366 3.618 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 24234990 QUMVSXCFCJLITP-KRWDZBQOSA-N 398.459 3.532 0 40 GHAB CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)c1ccc(Cl)cc1 78698983 ZXXNBUICKPAQMG-FQEVSTJZSA-N 398.934 3.968 0 40 GHAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCc2[nH]c3ccccc3c2C1 9455826 HJZLBARNZZVSDR-UHFFFAOYSA-N 380.391 3.934 0 40 GHAB COc1ccc(-c2oncc2-c2cc(OC)c3c(c2OC)OCO3)cc1OC 96336890 BVUOUDDJBPLNJA-UHFFFAOYSA-N 385.372 3.772 0 40 GHAB NC(=O)NCc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 95381806 RBUGSPKEESLCIV-LSDHHAIUSA-N 377.366 3.616 0 40 GHAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(C)c2OC)c1 408624428 TWMFTDVURQGFLI-UHFFFAOYSA-N 385.489 3.869 0 40 GHAB O=C(/C=C/c1nc2ccccc2o1)NCc1cn2cc(Br)ccc2n1 84600258 CZHVIICBBBXUSU-BQYQJAHWSA-N 397.232 3.568 0 40 GHAB O=C(Nc1cccc2[nH]ccc12)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 95423239 OXRRAOZXGZJUPW-LJQANCHMSA-N 390.468 3.803 0 40 GHAB Cc1cc(SCC(=O)N[C@H](C)[C@H](O)c2ccc(O)cc2)nc2ccccc12 9912307 KHZGSTZCACIPMG-SZNDQCEHSA-N 382.485 3.579 0 40 GHAB COc1ccc(CN2[C@H]3CC[C@H]2[C@@]2(CCN(CCc4ccccc4)C2=O)C3)cc1 306139897 UDOADUDTQPUQFQ-UMXIMWEHSA-N 390.527 3.893 0 40 GHAB CCN(CC)[C@@H](C(=O)NCCCn1ccnc1)c1cc(Cl)cc(Cl)c1 89967853 GOKJCOIBBIYEIK-QGZVFWFLSA-N 383.323 3.779 0 40 GHAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CN1CCC(C)CC1 89958965 PZJPUHHZADDPGS-UHFFFAOYSA-N 390.915 3.861 0 40 GHAB CCN(C(=O)CSc1nnc(-c2ccccc2O)n1CC)c1ccccc1 409411940 NYWUQAZUXMWKGG-UHFFFAOYSA-N 382.489 3.816 0 40 GHAB Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccc(CO)o2)C1 20503220 YUYQGQITWSFIOW-ZWKOTPCHSA-N 390.483 3.528 0 40 GHAB biogenic,in-vitro COc1ccccc1-c1cnc2n1CC[C@@]21CCN(C(=O)c2csc(C)n2)C1 306140967 VHTYEAHUVXFEFZ-OAQYLSRUSA-N 394.500 3.511 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1NC(=O)CC 408699519 XLXGOGNOOOGHHQ-UHFFFAOYSA-N 376.478 3.851 0 40 GHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)C1 39759942 ZXUNPLOGHDPGLQ-KDURUIRLSA-N 389.559 3.522 0 40 GHAB NC(=O)COc1ccc(Cl)cc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408558607 RYUBWDPVXSLJIC-KRWDZBQOSA-N 397.283 3.636 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)cc1 36352825 JRDYOAVEEBFROZ-UHFFFAOYSA-N 377.448 3.712 0 40 GHAB CCc1nc(-c2cncnc2[C@@H]2CCCN(CCCc3ccccc3)C2)no1 72356135 FTKWBMDQRROGQR-GOSISDBHSA-N 377.492 3.901 0 40 GHAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(OC)c(OC)c1 32604067 AMVRQQDGEPBHKD-UHFFFAOYSA-N 383.473 3.957 0 40 GHAB O=S(=O)(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2 70640128 SBVVOTNFNSLQQH-GOSISDBHSA-N 399.434 3.596 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CCc1ncc(-c3ccccc3)o1)CC2 79486191 XPEJOOVYCRXCJQ-UHFFFAOYSA-N 392.455 3.876 0 40 GHAB O=S1(=O)C[C@H](N2CCCCC2)[C@]12CC1c3ccccc3C2c2ccccc21 31716406 WIBBDCVETMOSAZ-ZWDXQAFOSA-N 379.525 3.689 0 40 GHAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)c2ccncc2)n1 72354734 JOCKXIBRPLYENB-KRWDZBQOSA-N 379.851 3.752 0 40 GHAB Cc1cc(C(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)c2cnn(C)c2n1 36616077 GQBKSLSRGLXJIC-UHFFFAOYSA-N 398.829 3.566 0 40 GHAB COCCn1ccc2c(NC(=O)Cn3ccc4c(OC)cccc43)cccc21 70666510 PLPLJTVZZWQKJI-UHFFFAOYSA-N 377.444 3.890 0 40 GHAB biogenic CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 225476187 PEOZEAKPAGMEAJ-OAHLLOKOSA-N 390.886 3.964 0 40 GHAB Cc1cccc(CS(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 223640646 LIOIDHOVGSRWNT-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB O=C1CCCN1c1cccc(NC(=S)NC2(c3ccncc3)CCCC2)c1 225870566 RDIDAEKEVXPGGS-UHFFFAOYSA-N 380.517 3.964 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)NCc1cccc(CN2CCCC2)c1 224642103 ZDCDKZRHTZJZJW-UHFFFAOYSA-N 392.421 3.996 0 40 GHAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)COc2ccc(OC)cc2)c1 225265996 GAMYJDDJWKYCTF-CQSZACIVSA-N 388.489 3.544 0 40 GHAB CCOCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c(C)n1 225873788 HFLFEVIRNFSGRZ-UHFFFAOYSA-N 398.503 3.801 0 40 GHAB COc1ccc2cc(S(=O)(=O)NCCOc3cc(C)ccc3C)ccc2c1 224048576 OSXBLGOMAPHCDW-UHFFFAOYSA-N 385.485 3.823 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(OC)c(C)c3)n2)cc1 222585730 IRGBCEPFUQKNSZ-UHFFFAOYSA-N 395.459 3.653 0 40 GHAB COc1ccc(-c2nc(-c3nnn(Cc4cccc(F)c4)c3C)no2)cc1OC 49410248 NGSCUBGAXIKYJL-UHFFFAOYSA-N 395.394 3.508 0 40 GHAB CN1CCN(C(=O)c2ccc(OCc3cccnc3)cc2)[C@@H](c2ccccc2)C1 40069894 JIMFSLHIQCMZPE-HSZRJFAPSA-N 387.483 3.790 0 40 GHAB CC(=O)Nc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 224548091 QYHGWXMSEXYAEK-ZHZULCJRSA-N 389.411 3.648 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(OC)c(OC)c1 224225057 ISRXUWWGKXLQLW-MRXNPFEDSA-N 393.505 3.759 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)NCCc1nc(C2CC2)cc(C(F)(F)F)n1 77101179 DDASWPRVGSKAFQ-PKNBQFBNSA-N 397.422 3.506 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 223778686 CMRWPVLPXHYYBE-UHFFFAOYSA-N 391.880 3.828 0 40 GHAB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1NC(C)=O 224492108 ZSCSEKZOYLBXTP-NSHDSACASA-N 382.482 3.546 0 40 GHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2cccs2)no1 224005095 PXGYXCOESJUJKD-ZDUSSCGKSA-N 383.473 3.761 0 40 GHAB Fc1ccc2nc(CO[C@H]3CN(Cc4cnc5ccccc5c4)C[C@H]3F)[nH]c2c1 96112236 MVXXCNPMCHADFK-UTKZUKDTSA-N 394.425 3.989 0 40 GHAB biogenic,in-vitro O=C(Cc1nsc2ccccc12)N1CCC[C@H](c2ncc3n2CCCC3)C1 578860755 IRFMJPKFDFDNJB-HNNXBMFYSA-N 380.517 3.778 0 40 GHAB Cn1ccc2c(NC(=O)COc3cc(O)c4c(c3)OC(C)(C)CC4=O)cccc21 96114060 QDPYMEXURYYRET-UHFFFAOYSA-N 394.427 3.645 0 40 GHAB biogenic CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccccc2F)CCO1 96117618 IEVNHGLIIHHBHO-MEDUHNTESA-N 391.468 3.633 0 40 GHAB Cc1nc(NC(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)ccc1-c1ccccc1 582888848 RIWQBRIPNVICBH-HKUYNNGSSA-N 391.475 3.832 0 40 GHAB O=C(c1cc(O)nc(C2CC2)c1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 580066363 CDSOGGXPJPOJIM-UHFFFAOYSA-N 376.460 3.636 0 40 GHAB CCOC(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3Cl)o2)CC1 96182540 ZUPDQWALOBCLSU-UHFFFAOYSA-N 378.812 3.640 0 40 GHAB Cc1cc(F)ccc1C(=O)N1CCC2(CC1)OCC[C@H]2CCOCC1CC1 247854103 WYTVSRPSZSPHPY-GOSISDBHSA-N 375.484 3.962 0 40 GHAB O=C(N1CCC[C@@H](Cc2ccccn2)C1)C(O)(c1ccccc1)c1ccccc1 257206493 BDSIKIFKGVQTON-FQEVSTJZSA-N 386.495 3.799 0 40 GHAB CO[C@H](C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@@H]1CCOC1 622830207 CNWUULHJDBJMAH-XLIONFOSSA-N 378.428 3.999 0 40 GHAB O=C(O)c1ccccc1CN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 659795877 JAXDOGWHCQKBCZ-QGZVFWFLSA-N 381.350 3.857 0 40 GHAB N[C@H](C(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1CCCO1 685938861 DOGITAQWGMFSER-BGTYHANMSA-N 384.442 3.744 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC(N2CCc3sccc3C2)C1 390828289 PVDHUXDJHDEBEP-UHFFFAOYSA-N 381.476 3.765 0 40 GHAB Cc1cccc(-n2c(C)nn(CN3CCN(c4ccc(F)cc4)CC3)c2=S)c1 56552642 SRCDSTNGTQODPY-UHFFFAOYSA-N 397.523 3.939 0 40 GHAB COc1ccc(CN2CCC(c3cc(O)nc(-c4cccnc4)n3)CC2)cc1 72392747 ASPSVCDXGCMSQA-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(N(C)C)cc1 5404145 DQKCZCZHDPURLK-UHFFFAOYSA-N 391.265 3.619 0 40 GHAB Cc1nc(NC(=O)c2cccc(C(=O)Nc3nc(C)c(C)s3)n2)sc1C 5749352 UOZKARFVCWSSBY-UHFFFAOYSA-N 387.490 3.733 0 40 GHAB CC(C)C(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(C)(=O)=O)C[C@@H]1C 14607290 HZGNBFCYRNEQEU-JXFKEZNVSA-N 386.517 3.975 0 40 GHAB COc1ccccc1Oc1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 18238774 PUJWXQNNKVMTNV-UHFFFAOYSA-N 389.415 3.794 0 40 GHAB Cc1ccc([C@@H](C)C(=O)N2CCc3nc([C@H]4CCCCN4C)ncc3C2)cc1 19136134 GWIBRNVPNKFWLL-DYESRHJHSA-N 378.520 3.630 0 40 GHAB Cc1ccc(CC(=O)N2CCC(c3nnc(-c4ccc(C)nc4)o3)CC2)cc1 19209388 CGJASPWVKDYAPG-UHFFFAOYSA-N 376.460 3.697 0 40 GHAB COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3ccc(C)o3)C1)O2 19216596 XBGUJROYZQFNJX-FDDCHVKYSA-N 398.503 3.618 0 40 GHAB Cc1ccccc1-c1ocnc1C(=O)N1CCN(CCn2c(C)ccc2C)CC1 19237427 IIRHDDSJYYURJO-UHFFFAOYSA-N 392.503 3.526 0 40 GHAB Cc1nccn1CCCC(=O)N1CCC(c2nc(C)n3c(C)csc23)CC1 19240545 STZFBPULKHDQIY-UHFFFAOYSA-N 385.537 3.704 0 40 GHAB CC(=O)N1CCc2nc([C@@H]3CCCN(CC[C@H](C)c4ccccc4)C3)ncc2C1 19455664 YPRZMOMGEDIHOP-GHTZIAJQSA-N 392.547 3.754 0 40 GHAB CCOc1cccc([C@@H](O)CN(C)Cc2c([C@H]3CCCO3)[nH]c3ncccc23)c1 19519995 QLRDMBLRRULLAD-LEWJYISDSA-N 395.503 3.979 0 40 GHAB Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 165724545 YWTJKKQEZHNOIA-IDPBPBMLSA-N 386.451 3.867 0 40 GHAB COc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)c1ccccc1 8112642 XHFDFGOWYBBJFS-FOWTUZBSSA-N 389.363 3.852 0 40 GHAB O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2)CC1 102674437 LMWQSLDJOFGWBI-GASCZTMLSA-N 396.878 3.890 0 40 GHAB CN1CCN(Cc2cccnc2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19589534 YBUYNJFGTLCFJI-DEOSSOPVSA-N 385.511 3.882 0 40 GHAB CCOCc1ccc(C(=O)N2C[C@H](c3cccc(OC)c3)[C@H]3NCCC[C@H]32)cc1 19531298 TVHPNHYVKXEWCG-DNVJHFABSA-N 394.515 3.592 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1C 5289655 HXZAYHHICVKPHO-RDTXWAMCSA-N 383.469 3.921 0 40 GHAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CCCN([C@H]2CCSC2)CC1 1888854646 LYRSDRWGXOTSKJ-KRWDZBQOSA-N 386.483 3.678 0 40 GHAB CCc1ncnc(N(C)CC2CCN(Cc3sc(C)nc3C)CC2)c1F 1888873322 BCQCGDZEGGHDCD-UHFFFAOYSA-N 377.533 3.600 0 40 GHAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1nnc2cc(Cl)ccc21 1889053497 VVSNZORJVGPBNH-UHFFFAOYSA-N 379.869 3.762 0 40 GHAB CN(CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCc2ccccc21 29810954 BGMVWMXKTIBIAA-SFHVURJKSA-N 394.334 3.842 0 40 GHAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(-c2ccccc2F)s1 32816474 INKYISATQKELIK-UHFFFAOYSA-N 397.475 3.716 0 40 GHAB Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3cccc4cccnc34)C2)ccc1F 245020881 MLOWVUVEFGTUMY-MRXNPFEDSA-N 386.448 3.524 0 40 GHAB O=C(CC1CCCCC1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840258 KRAHPHCYKNLJMT-UHFFFAOYSA-N 388.483 3.521 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Cl)cc2)cc1 800830 OKYLPGGTLCEBKE-QGZVFWFLSA-N 396.921 3.735 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc1 4940390 NJXXYYAZPCPBDP-UHFFFAOYSA-N 390.439 3.634 0 40 GHAB Cc1cccc2sc(NC(=O)N[C@H]3CC(=O)N(c4cccc(F)c4)C3)nc12 5194060 OTPREHIUZGYRFT-ZDUSSCGKSA-N 384.436 3.671 0 40 GHAB Cc1nc2nnc(SCc3ccccc3Cl)n2c(C)c1CCC(=O)O 7636247 LVAXCQHMZJXQHR-UHFFFAOYSA-N 376.869 3.704 0 40 GHAB O=C(CCCSc1ccc(NC(=O)C2CC2)nn1)Nc1ccccc1Cl 11793872 AULPHMMJNIWDPB-UHFFFAOYSA-N 390.896 3.990 0 40 GHAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3Cl)n2)cc1 12441011 PBUDFAHDJCJVIV-UHFFFAOYSA-N 397.862 3.991 0 40 GHAB COc1ccc(-c2cc(COC(=O)Cc3ccc(OC)c(OC)c3)no2)cc1 12726460 DMDVKLGGKXCDSH-UHFFFAOYSA-N 383.400 3.653 0 40 GHAB CC(C)NC(=O)NCc1cc2c(s1)CCN(C(=O)/C=C/c1cccs1)C2 2055782105 MHDSTWKUQYUKQX-AATRIKPKSA-N 389.546 3.615 0 40 GHAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(=O)n(Cc2ccc(F)cc2)n1 38884380 BBWCAFFPFHSPHT-UHFFFAOYSA-N 392.217 3.990 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nn2C)cc1 42383515 YPHUFAAKXOXBKH-UHFFFAOYSA-N 379.416 3.525 0 40 GHAB Cc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1cccc(Cl)c1C)CC3 48987866 KAJSCZQDXRSXPV-UHFFFAOYSA-N 395.890 3.795 0 40 GHAB Cc1ccccc1NC(=O)[C@H](C)Sc1ccccc1NC(=O)CCC(=O)O 13578919 OJPXPVKRIYMWNK-AWEZNQCLSA-N 386.473 3.918 0 40 GHAB Cc1nnc(SCC(=O)Nc2cccc3ncccc23)n1Cc1ccccc1 10412485 JOFKCKNGXKBJJO-UHFFFAOYSA-N 389.484 3.914 0 40 GHAB O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cc2c(cc1F)CCC(=O)N2 40133615 XKFYCFRMVLOFRI-UHFFFAOYSA-N 382.313 3.790 0 40 GHAB Cc1cc(N2CCN(C(=O)[C@H](C)SCc3ccccc3)CC2)nc(C(C)C)n1 40144538 BUDCKKAKLICQAC-SFHVURJKSA-N 398.576 3.879 0 40 GHAB O=C(c1ccnc(Cl)c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 40122393 SNRHAHMKWDMUMO-UHFFFAOYSA-N 398.677 3.640 0 40 GHAB O=C(c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1F)N1CCCC1 40135002 GDUYULJAOAWDRV-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1N1CCCC1=O 30502756 DADAWVOJZGWJKS-INIZCTEOSA-N 381.476 3.878 0 40 GHAB O=C(CSc1cccc[n+]1[O-])N1Cc2ccccc2[C@@H](c2ccccc2)C1 29839851 JNQKDZXDCHLTKP-HXUWFJFHSA-N 376.481 3.586 0 40 GHAB CS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1SCc1ccccc1 729692 OWIHSWHMZYMEMP-UHFFFAOYSA-N 379.894 3.699 0 40 GHAB O=C(/C=C/c1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 11971182 GNFTVIDHTHMEKP-FPYGCLRLSA-N 395.415 3.932 0 40 GHAB Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccncc2)cc1 897269 GJNWPVMSEOUXLT-UHFFFAOYSA-N 393.516 3.742 0 40 GHAB CC(C)C[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1 1381331 SOOVLYUFXWHQNE-SNVBAGLBSA-N 391.276 3.931 0 40 GHAB COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 2502038 ZLBLSQMWULVMDP-SFHVURJKSA-N 388.489 3.545 0 40 GHAB COc1ccc([C@H]2CCCCCN2CCN2C(=O)c3ccccc3C2=O)cc1 21673075 HXPQOLOUUMEYFU-OAQYLSRUSA-N 378.472 3.909 0 40 GHAB CCOc1ccc2[nH]c(=O)c(-c3nc4ccc(C)cn4c3NCCOC)cc2c1 4847650 GFPQGRIQUFTCLT-UHFFFAOYSA-N 392.459 3.608 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 6035623 CGUGIXNZYRWFPC-UHFFFAOYSA-N 383.429 3.759 0 40 GHAB CCn1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2c1=O 6372633 QORHJURPXATDIJ-UHFFFAOYSA-N 377.322 3.567 0 40 GHAB Cc1c(C(=O)Nc2ccc(N3CCCC3)nc2)cnn1-c1ccc(F)cc1F 32934164 IDUAJKBEILOUJC-UHFFFAOYSA-N 383.402 3.706 0 40 GHAB O=C1CSc2ccc(C(=O)Nc3ccc(Oc4cnccn4)cc3)cc2N1 46721222 RMQWZJOXRLRZJF-UHFFFAOYSA-N 378.413 3.565 0 40 GHAB COC(=O)c1cc(NC(=O)CCc2ccc(C(C)C)cc2)cc(C(=O)OC)c1 10362854 PRWSNRNNLYQNJD-UHFFFAOYSA-N 383.444 3.955 0 40 GHAB Cc1cc(-n2nc3ccccc3n2)c2oc(SCC(=O)N3CCCC3)nc2c1 8816530 WNARMJDJGTZNFM-UHFFFAOYSA-N 393.472 3.585 0 40 GHAB CN(C)[C@H](CNC[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 22038824 JTOVVEPINSSAND-ILBGXUMGSA-N 390.527 3.986 0 40 GHAB COc1cc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1O 9188004 BFGWQLGNYJRIQK-UHFFFAOYSA-N 392.908 3.561 0 40 GHAB Cc1nc2ccc(C(=O)N3[C@H]4CC[C@H]3CC(O)(c3ccccc3F)C4)cc2[nH]1 100760262 QHLPOWFHMLIKOB-HOTGVXAUSA-N 379.435 3.665 0 40 GHAB CC(C)c1ccc(CCNC(=O)CNC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 104742889 AMQLDWFANUUESD-BVPXEZJJSA-N 385.552 3.593 0 40 GHAB COCc1c(C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)oc2ccccc12 42674085 MZZWPLKDOPPBKF-LJQANCHMSA-N 382.460 3.621 0 40 GHAB Cc1nn(CC(C)C)c2sc(C(=O)NC[C@@H]3COc4ccccc4O3)cc12 24578264 UNOTXQFHNGKOHR-CQSZACIVSA-N 385.489 3.632 0 40 GHAB Cn1cc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)n1 100744268 OJWJGORHKXVRFL-MAEOIBBWSA-N 375.476 3.581 0 40 GHAB COc1ccc(/C(=C/C(=O)O)c2nccc3cc(OC)c(OC)cc23)cc1OC 61996979 LZVIVIHUEWKDLV-VBKFSLOCSA-N 395.411 3.786 0 40 GHAB biogenic C[C@@H](OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1nnc(-c2ccccc2)o1 26426581 XFEFTNDOURHLGW-ABAIWWIYSA-N 381.363 3.606 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)CC2=O)cc1 103717766 UEYJNAURDUHMGB-GOSISDBHSA-N 378.472 3.956 0 40 GHAB O=C1C(=O)N(CN2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc21 23873431 OUJJENWCZFOSOI-AWEZNQCLSA-N 377.469 3.663 0 40 GHAB COc1cccc(CCCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 66434398 YPBJJVFCRKGJPJ-UHFFFAOYSA-N 377.488 3.919 0 40 GHAB Cc1ccccc1N(CCCC(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O 113967087 YTHRMFZCENVESL-MRXNPFEDSA-N 392.496 3.558 0 40 GHAB COCCCCN1C(=O)[C@H](Oc2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 58202326 AQNINABNYSAJQJ-FCHUYYIVSA-N 399.487 3.770 0 40 GHAB CCc1cc(=O)oc2c(C)c(OC(=O)CCCNC(=O)OC(C)(C)C)ccc12 2147582 RGCIAGROYNMOOO-UHFFFAOYSA-N 389.448 3.874 0 40 GHAB biogenic COc1ccc(CN(C(=O)COc2ccc(OC)cc2)c2ccccn2)cc1 27744981 UCLMSECOTXLDBM-UHFFFAOYSA-N 378.428 3.711 0 40 GHAB CCOc1ccc([C@@]2(O)CN(c3ccc(OC)cc3)C3=[N+]2CCCCC3)cc1 22408622 QPAXDTOGGZZFBW-QHCPKHFHSA-N 381.496 3.744 0 40 GHAB CSc1ccccc1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 58449065 ZECOCMGFBJQHTR-UHFFFAOYSA-N 375.925 3.823 0 40 GHAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 118928184 PEANADIJRKRMOK-DPBFHNKMSA-N 390.520 3.929 0 40 GHAB Cc1c(C(=O)N(C)Cc2ccccc2Cl)sc2nc3n(c(=O)c12)CCC3 12753902 VSIWVJQFEAEKRH-UHFFFAOYSA-N 387.892 3.638 0 40 GHAB O=C(CNc1ccccc1C(=O)NC1CC1)Nc1ccc(OC(F)(F)F)cc1 10759893 DTYUDRTZTWENSW-UHFFFAOYSA-N 393.365 3.528 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CS[C@H](C)C(=O)Nc3ccccc3)n2)cc1 11040334 DSXGZPCFFMOUJL-CQSZACIVSA-N 394.504 3.766 0 40 GHAB COC1CCN(Cc2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2)CC1 48310309 NBNSBDDOMPICAB-NRFANRHFSA-N 380.488 3.551 0 40 GHAB COc1cc(NC(=O)CCc2c[nH]c3ccccc23)ccc1N1CCCC1=O 11445954 SSCUNTDQIODTLC-UHFFFAOYSA-N 377.444 3.875 0 40 GHAB COc1ccc(Cn2nnnc2SCCOc2ccccc2Cl)cc1 11622068 SAPNOOQPLFHUII-UHFFFAOYSA-N 376.869 3.555 0 40 GHAB Cc1cc(-c2csc(NC(=O)c3ccc(CNC(N)=O)cc3)n2)c(C)s1 12810393 HBCFXJIQOVHPMK-UHFFFAOYSA-N 386.502 3.909 0 40 GHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 3454040 FBPLCORNSTXOCF-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB COc1ccccc1CC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3524254 JCAFGTZJSLJCBG-UHFFFAOYSA-N 393.512 3.891 0 40 GHAB COc1cc2c(cc1NC(=O)COC(=O)c1ccncc1)oc1ccccc12 3508924 ICWSQOPIGFQUOC-UHFFFAOYSA-N 376.368 3.785 0 40 GHAB CCOCCCn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O 3500332 LVNOCAGNOWBKGE-UHFFFAOYSA-N 397.500 3.554 0 40 GHAB COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2csc(C)n2)c(O)c1 13125534 XOCTVVVJFQYCGO-UHFFFAOYSA-N 382.367 3.891 0 40 GHAB CC[C@@H](C)c1ccc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 8890023 JBNISZQBZIWBMX-IQMFZBJNSA-N 376.456 3.776 0 40 GHAB O=C(O)C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccccc1 13427768 QGPZHAQVIGVDJP-GOSISDBHSA-N 383.375 3.944 0 40 GHAB Cc1ccc(N2C(=O)N(c3ccccc3Cl)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 4393486 BVEMVJDBQMLNOC-ZWKOTPCHSA-N 390.892 3.569 0 40 GHAB C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)C(=O)NC1CC1 4491196 DSOGOQVWQMTDDH-AWEZNQCLSA-N 396.491 3.756 0 40 GHAB COc1ccc(-c2nc3c4cnn(-c5ccccc5Cl)c4ncn3n2)cc1 5324172 WZPMUZQCQPZHNB-UHFFFAOYSA-N 376.807 3.792 0 40 GHAB COC(=O)CCn1c(C)cc(C(=O)CSc2nc3cc(C)ccc3[nH]2)c1C 5357923 FLSPMBJSXHHVDI-UHFFFAOYSA-N 385.489 3.828 0 40 GHAB CCn1nc(C(=O)OCc2csc(-c3ccccc3)n2)c2ccccc2c1=O 4525278 OTAZLHQVKKUHRY-UHFFFAOYSA-N 391.452 3.897 0 40 GHAB Cc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1Cl 14202375 QOVGGHKOMUMQRK-UHFFFAOYSA-N 392.908 3.660 0 40 GHAB CSc1cccc(NC(=O)COc2ccc(Br)cc2CO)c1 5468388 GYVQSPDCKLNXAS-UHFFFAOYSA-N 382.279 3.681 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 4682296 QPYWKWULKUSYAZ-LLVKDONJSA-N 387.288 3.607 0 40 GHAB Cc1cccn2c(=O)cc(CSc3nc(C4CC4)n(-c4ccccc4)n3)nc12 7216170 JKQFFBVUTQCYJU-UHFFFAOYSA-N 389.484 3.753 0 40 GHAB Cc1noc(C2CC2)c1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 96012106 RBPRNWCNJVZXHP-UHFFFAOYSA-N 397.456 3.914 0 40 GHAB O=C(CSc1nc(-c2cccs2)n[nH]1)c1ccc(N2CCCC2=O)cc1 7725897 UVHZHWWNVBQLQV-UHFFFAOYSA-N 384.486 3.635 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCCCC3)cc2)CC1=O 7950105 ORMCFRQGPGXMDB-KRWDZBQOSA-N 393.487 3.677 0 40 GHAB CCOc1cc(/C=C/C(=O)NCCCC(=O)O)ccc1OCc1ccccc1 62715435 RGXKLIIQHOIBGY-ACCUITESSA-N 383.444 3.659 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2cc(C)n(-c3cccnc3)c2C)c(OC)c1 84081414 KXVHYKRDZQHWHI-OAHLLOKOSA-N 379.460 3.997 0 40 GHAB CCn1cnnc1CCNc1ccc2cc(Br)cc(Cl)c2n1 95463614 NOMOFMFXEUAUEH-UHFFFAOYSA-N 380.677 3.917 0 40 GHAB Cc1noc(C)c1CSCC(=O)N[C@@H](CC(=O)O)c1ccc(Cl)s1 95463978 LDYZKTWCWAWEAZ-NSHDSACASA-N 388.898 3.572 0 40 GHAB O=C(CCc1ccc2c(c1)CCO2)N1CCC(O)(c2ccc(Cl)cc2)CC1 95480234 UIAMSMGNQYDEOW-UHFFFAOYSA-N 385.891 3.718 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3c(F)cccc3F)co2)C1 95965066 GROYUWDBBCOZMC-LBPRGKRZSA-N 391.418 3.843 0 40 GHAB Cc1cc(-c2cc(C(=O)NC[C@@H]3CCC[C@@H]3O)c3cnn(C(C)C)c3n2)c(C)o1 78902711 NNXBUMZEYKBDJH-YWZLYKJASA-N 396.491 3.780 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccc2ncccc2c1 79478739 OEHUVVJVIIHGPJ-IBGZPJMESA-N 396.472 3.727 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)n1 79475446 MWDCXNGCBKKTPB-UHFFFAOYSA-N 388.489 3.534 0 40 GHAB Cc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)c1 67237700 RCJDBILZLSILAX-UHFFFAOYSA-N 384.505 3.728 0 40 GHAB CN(C)CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915701 PPMFMAOFTZHACB-FMWKKIILSA-N 389.580 3.562 0 40 GHAB in-vitro Cc1ccc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccc2)s1 306136026 PGWWMKSKCKFEBC-SFTDATJTSA-N 377.513 3.940 0 40 GHAB CCOc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1Br 409128434 IIMDURYXGKHDKZ-UKTHLTGXSA-N 386.267 3.531 0 40 GHAB Cc1ccc(N2CCN(C[C@@H](O)COc3cccc4ccccc34)CC2)cc1 29589835 LPYULKPFEZXRTH-JOCHJYFZSA-N 376.500 3.710 0 40 GHAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1 29376866 BXEQQHKXZUMTQO-UHFFFAOYSA-N 392.459 3.721 0 40 GHAB CCOc1ncccc1C(=O)OCc1cc(-c2ccc3c(c2)C[C@@H](C)O3)on1 38758119 AZUANFIQGNHKIR-CYBMUJFWSA-N 380.400 3.816 0 40 GHAB Cc1ccc2[nH]c3nc(SCC(=O)Nc4ccc(N(C)C)cc4)nnc3c2c1 35312200 WHIXQIBMOUUFLN-UHFFFAOYSA-N 392.488 3.611 0 40 GHAB CC[C@H](NC(=O)CCS(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 36611245 JVCFGLILCSNLLI-BUMILGAPSA-N 389.561 3.962 0 40 GHAB CN1CC2=C(NC(=S)N[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 55174858 RSSCIJGJORVHLT-XATQLNLPSA-N 383.467 3.767 0 40 GHAB O=C(COc1ccccc1Cl)NCc1nc(-c2ccccc2Cl)no1 218851903 DDDNPGGKWMHMRL-UHFFFAOYSA-N 378.215 3.739 0 40 GHAB Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)NCCc2ccccc2)ccn1 72360785 PTTFPDPHQWPLBA-LJQANCHMSA-N 390.491 3.533 0 40 GHAB O=S(=O)(c1c(F)cccc1F)N(CCc1ccccc1)Cc1ccccn1 62017946 YMPMDJPLQFCWNG-UHFFFAOYSA-N 388.439 3.793 0 40 GHAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc2ccccc2o1 32751386 IVUITJDOOZOLJM-QGZVFWFLSA-N 396.443 3.508 0 40 GHAB CC(C)CC(=O)N[C@@H](c1nccs1)C1CCC(CNC2CCOCC2)CC1 72373171 ZJSRVIIBLJLJOM-LBXVMSDZSA-N 393.597 3.922 0 40 GHAB CC[C@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 219319625 SJGOMGPISPDSGE-IBGZPJMESA-N 395.459 3.870 0 40 GHAB Cc1cc(C)c2c(=O)[nH]c([C@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)cc2c1 72350710 RSICWTSHSWCMFC-HKUYNNGSSA-N 382.504 3.810 0 40 GHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC(C)(C)CC(C)(C)C 225107727 SWSPWUHVBVHNMF-QGZVFWFLSA-N 398.569 3.571 0 40 GHAB CC(C)N(C(=O)CS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 40106082 LUYYOIZIDARGRX-UHFFFAOYSA-N 383.872 3.836 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)c(C)c2)cc1Br 224875087 PWRXHSPDICRBBA-UHFFFAOYSA-N 384.295 3.900 0 40 GHAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(OC)nc2)cc1OCC 225752476 PDBUFMBNTUWCIL-CYBMUJFWSA-N 375.494 3.935 0 40 GHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NS(=O)(=O)Cc2ccccc2)C1 77100740 JYHJLNDBNODPAG-RBUKOAKNSA-N 388.489 3.666 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C 224704501 DGPFVGWGSKRYCS-LJQANCHMSA-N 382.504 3.626 0 40 GHAB CCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4c(c3)OCO4)CC1)O2 225817789 JHEMODDQOZVJGH-UHFFFAOYSA-N 393.439 3.618 0 40 GHAB C[Si](C)(C)CCOCn1c(C=O)nc(Br)c1Br 198447684 YKPIEPMBEKJABL-UHFFFAOYSA-N 384.144 3.533 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223870987 SJQTUUHFLNYWPF-QFBILLFUSA-N 389.517 3.742 0 40 GHAB COc1ccc(CC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)cc1 230276340 IAPMNCLXHMIOJP-QDNNMPSSSA-N 380.532 3.659 0 40 GHAB biogenic Cc1cc(C)c(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c(C)c1 242974536 HOYKPVDISBGFFZ-UHFFFAOYSA-N 394.924 3.978 0 40 GHAB O=C(c1ncccn1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257232632 GLSSFUFKFKWYNW-HNNXBMFYSA-N 382.851 3.729 0 40 GHAB COc1cccc(S(=O)(=O)N2CCC(CSCc3ccco3)CC2)c1 90608429 QZNOUUGJJGYOOH-UHFFFAOYSA-N 381.519 3.622 0 40 GHAB Cn1ccc2cccc(NS(=O)(=O)c3c(F)cccc3Br)c21 1116748612 TYGPAPCEFZMSGL-UHFFFAOYSA-N 383.242 3.881 0 40 GHAB C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2CC(=O)OC23CCCCC3)cc1 5274455 VCDROTZKUUDCHO-VQIMIIECSA-N 398.503 3.906 0 40 GHAB Cc1ccc(-c2cc(CC3(C(=O)Nc4c[nH]nc4C)CCOCC3)on2)cc1 12126568 POERDSGNZJRXIU-UHFFFAOYSA-N 380.448 3.660 0 40 GHAB Cc1ccc(CNCc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)cc1 12290152 WJTWAXQHUOUYHI-UHFFFAOYSA-N 376.435 3.760 0 40 GHAB Cc1cc(C)c(-c2csc(NC(=O)c3cccc(OCC(N)=O)c3)n2)c(C)c1 12552108 DYXNVDXHZWSIGK-UHFFFAOYSA-N 395.484 3.852 0 40 GHAB CN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)C1CCCCC1 15396863 RHNGVNKHDIQGSY-UHFFFAOYSA-N 386.517 3.673 0 40 GHAB CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N(C)Cc2ccccc2)no1 15673339 FPJNSTVBOWJFAB-PMACEKPBSA-N 383.536 3.834 0 40 GHAB biogenic,in-vitro CCn1nc(C(=O)Nc2nnc(C3CCCCC3)s2)c2ccccc2c1=O 16722363 MGWBGCNGXMWOQO-UHFFFAOYSA-N 383.477 3.568 0 40 GHAB CCCn1c(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ccccn3)C2)nc2ccccc21 19526004 FGOCNLILXJCZIE-IXFSTUDKSA-N 376.504 3.571 0 40 GHAB COc1cc2sc(NC(=O)c3nn4cccnc4c3Cl)nc2cc1Cl 19550669 JXVJSENDAJZKFL-UHFFFAOYSA-N 394.243 3.907 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc21 19936772 AKXGIDOYDVAAGR-UHFFFAOYSA-N 387.244 3.722 0 40 GHAB Cc1nccn1-c1ccc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3cccnc3)C2)cc1 19288258 IMNASUCEEHLLKK-TUACAJSNSA-N 388.515 3.695 0 40 GHAB COCC(=O)N1CCc2sccc2[C@@H]1c1ccc(NCc2cccnc2)cc1 19592942 NVLNGCFKTMFJEO-QFIPXVFZSA-N 393.512 3.876 0 40 GHAB Cc1nc2c3ccccc3nc(SCC(=O)Nc3ccc(C)c(F)c3)n2n1 2969398 KNRXFBCBQPNTOV-UHFFFAOYSA-N 381.436 3.764 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCn4c3nc3ccccc34)c12 30661828 QHPRVJZTMRGFOL-UHFFFAOYSA-N 385.383 3.801 0 40 GHAB CN1C(=O)COc2ccccc2CCCC[C@H]2CN(Cc3ccncc3)CC[C@H]21 2037988632 BNJNQZOHCMTQLO-FCHUYYIVSA-N 393.531 3.536 0 40 GHAB CSc1ccccc1NC(=O)N1C[C@H]2CCN(c3ncccn3)CC[C@H]2C1 2056223367 HTJXRRLKLAPYTN-IYBDPMFKSA-N 383.521 3.579 0 40 GHAB Cc1nc(C)c(CN2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)s1 2087128258 RRTYLIGWUMJXCH-ZFWWWQNUSA-N 382.455 3.884 0 40 GHAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCCCC1 4746995 VRXJWSOEZTVMDO-UHFFFAOYSA-N 376.478 3.918 0 40 GHAB COc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)n(C)n3)nc12 9002415 IMLMEOKPAHPYLF-UHFFFAOYSA-N 393.472 3.589 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)NCC2(c3cccs3)CCCC2)c1 13804393 OMQULQNPEGVJPE-UHFFFAOYSA-N 381.519 3.556 0 40 GHAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(=O)n(Cc2ccc(F)cc2)c1 15882959 COBPMWOFBJQDDP-UHFFFAOYSA-N 376.309 3.705 0 40 GHAB CCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccccc3Cl)ccc21 17316490 GGRFPRLALIXRJY-UHFFFAOYSA-N 378.881 3.695 0 40 GHAB O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1cc(-c2ccccc2)on1 206771780 YETZTCDWRXVGEM-MRXNPFEDSA-N 388.427 3.882 0 40 GHAB O=C(c1cccs1)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 38899725 MGXZIZHETQRURX-ZDUSSCGKSA-N 383.429 3.547 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NCc1ccnc(-c2ccsc2)c1 225758028 WSDJEPNTTBAAIC-UHFFFAOYSA-N 394.905 3.951 0 40 GHAB CSc1ccccc1NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 585173540 YEDYOAZFJGNYIZ-UHFFFAOYSA-N 385.876 3.924 0 40 GHAB COC[C@H](C)Oc1ccc2nc(NC(=O)C(C)(C)Br)sc2c1 20133253 JTWRXQVWHDFYOH-VIFPVBQESA-N 387.299 3.822 0 40 GHAB CCc1nn2c(=O)cc(CNc3ccc(OC(C)C)c(Cl)c3)nc2s1 40083270 MKTYCCHAICMGRM-UHFFFAOYSA-N 378.885 3.766 0 40 GHAB CC(C)C(=O)Nc1nc(CC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cs1 40141651 QWTIPUZIKVJYML-MRXNPFEDSA-N 397.504 3.520 0 40 GHAB Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 100623300 BXOPICYHPPSHOH-SNHGZMDHSA-N 386.451 3.867 0 40 GHAB CCc1cccc(NC(=O)CSc2[nH]c3ccccc3c(=O)c2C(=O)OC)c1 20981941 XYBYDATVCFKXRA-UHFFFAOYSA-N 396.468 3.608 0 40 GHAB CCC(CC)c1nnc(NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)s1 2646091 PUTUHPNBLBMFJU-UHFFFAOYSA-N 385.493 3.732 0 40 GHAB COc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3C)o2)cc1 870384 XILJLZZYRBWHPL-UHFFFAOYSA-N 384.461 3.730 0 40 GHAB Cc1nnc(SCC(=O)Nc2cccc3ccccc23)n1C[C@@H]1CCCO1 915404 WBLIVWHLYTVGAH-INIZCTEOSA-N 382.489 3.650 0 40 GHAB CN(C)CCN1C(=O)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21 1589593 MLHPUCAUZPCWLF-UHFFFAOYSA-N 376.287 3.739 0 40 GHAB O=C(NCCCOCC1CC1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 32823499 YXWNXRUZCOWOAE-OAQYLSRUSA-N 379.456 3.687 0 40 GHAB CC(C)n1nnnc1SCCC(=O)N[C@@H](c1ccccc1)c1cccs1 32871282 WETPUKVCQPDAIS-KRWDZBQOSA-N 387.534 3.704 0 40 GHAB O=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCc3ccccc32)cs1 6681389 POQVQWVNDQKNSY-UHFFFAOYSA-N 399.497 3.537 0 40 GHAB CCOc1ccc2nc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)[nH]c2c1 7676181 LDHIXDQCJCJBPB-LJQANCHMSA-N 397.500 3.654 0 40 GHAB CCn1c(S)nc2cc(C(=O)N[C@H]3CCCC[C@@H]3C(F)(F)F)ccc2c1=O 102832515 DYQLTDZMIDBUKP-STQMWFEESA-N 399.438 3.556 0 40 GHAB COc1ccc([C@H](CNC(=O)COc2ccccc2Cl)N2CCCC2)cc1 21911973 AZVHNWFZEJPIEE-IBGZPJMESA-N 388.895 3.681 0 40 GHAB O=C(C1CCN(Cc2ccccc2F)CC1)N1CCN(c2ccc(F)cc2)CC1 9063489 JWXBPDOBTXHPNK-UHFFFAOYSA-N 399.485 3.526 0 40 GHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c(OC)c1OC 12543906 GXRWRGFLPJKLBD-QGZVFWFLSA-N 396.365 3.841 0 40 GHAB Cc1ccc(CNC(=O)c2nnc(CN3CCCc4ccccc43)s2)cc1 12540279 MBXMPILSRFAKFY-UHFFFAOYSA-N 378.501 3.729 0 40 GHAB CC(=O)c1ccc(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)cc1 12554996 SKKKQCJILZZWGR-UHFFFAOYSA-N 379.504 3.950 0 40 GHAB Cc1nn(C[C@@H](C)C(=O)Nc2cc(Cl)ccc2O)c(C)c1Br 28236113 HVUNRZMRSMEACL-MRVPVSSYSA-N 386.677 3.896 0 40 GHAB Cc1ccc2c(CC(=O)NCc3ccccc3CN3CCOCC3)coc2c1C 24045690 CKHCTZXHWRQSBH-UHFFFAOYSA-N 392.499 3.741 0 40 GHAB COc1ccc(CC(=O)NCCSCc2cccc(Cl)c2)cc1OC 20240098 OIELOKYDUCLXKZ-UHFFFAOYSA-N 379.909 3.949 0 40 GHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc4c(c3)OCCCO4)c12 24860008 ASZWPVIARNTXGH-UHFFFAOYSA-N 378.432 3.568 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)NCCCSc1ccc(F)cc1 24857725 RTNBDCVMYIFVNB-UHFFFAOYSA-N 381.494 3.532 0 40 GHAB Cc1ccc(S(=O)(=O)CC(=O)CSc2ccc(Br)cc2)cc1 1385791 ISQIIMZLQRIYRX-UHFFFAOYSA-N 399.331 3.893 0 40 GHAB CC(C)n1ncc2cc(C(=O)NCc3ccc(OCC(F)(F)F)cc3)cnc21 25149620 KYTIBEJFRDPFMD-UHFFFAOYSA-N 392.381 3.883 0 40 GHAB Cc1c(NC(=O)C2c3ccccc3Oc3ccccc32)cccc1-n1cnnn1 3336642 FCGSIIHAPRIOTC-UHFFFAOYSA-N 383.411 3.847 0 40 GHAB CCc1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1 102550015 YVLRKMGZPCJNLD-USNOLKROSA-N 387.435 3.780 0 40 GHAB COc1cc(N[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)ccc1N1CCCC1=O 10185307 KQVMOWLUNKDGOI-OAHLLOKOSA-N 393.487 3.750 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)N[C@H](C)CC[C@@H]2CCCO2)no1 58217852 XKEMPPHKUSIBKU-CJNGLKHVSA-N 375.494 3.748 0 40 GHAB COc1ccc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1N1CCCC1=O 28039903 SPIKDOSXPOFCSZ-UHFFFAOYSA-N 396.472 3.834 0 40 GHAB O=C(CN1CCC[C@H](C(=O)Nc2ccccc2)C1)N[C@@H]1CCCc2ccccc21 12797492 LIEJHWVAFAYFQV-SIKLNZKXSA-N 391.515 3.531 0 40 GHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(C)c(Cl)c2)cc1 2368149 ARYUVKBDLYWWGN-UHFFFAOYSA-N 393.874 3.965 0 40 GHAB CCC[C@@H](NC(=O)[C@H](C)OC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1 36437857 AVINPAHSNUFHGZ-BJYDCXRDSA-N 385.504 3.971 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CCc1nc3ccccc3s1)CC2 3413078 KSAVVKDZKANAFU-UHFFFAOYSA-N 382.485 3.831 0 40 GHAB O=C(Nc1cccc2ncccc12)[C@@H]1CS[C@@]2(c3cccs3)CCC(=O)N12 3405305 CVGBSQZLOBIVGW-OXJNMPFZSA-N 395.509 3.826 0 40 GHAB CC(C)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 3469630 RJTUKAPNYMZMJP-UHFFFAOYSA-N 388.443 3.829 0 40 GHAB CCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1CC(C)C 36812863 UBEYCUWMRYWBSF-UHFFFAOYSA-N 396.582 3.744 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccncc2)C1=O 409317602 RBZUSHCQNUTCOW-OVCLIPMQSA-N 387.848 3.718 0 40 GHAB CCOc1cc2c(cc1NC(=O)CSc1ccccc1C(=O)O)O[C@H](C)C2 12937276 YFRWEXKZQZDURY-GFCCVEGCSA-N 387.457 3.838 0 40 GHAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)c3ccccc3)n2C)cc1C 9699006 QDPBLFUAABFNRP-UHFFFAOYSA-N 394.500 3.588 0 40 GHAB O=C(CSc1nnc2ccccn12)Nc1ccc2c(c1)OC1(CCCCC1)O2 5142688 BVJKWXDZGVFARV-UHFFFAOYSA-N 396.472 3.892 0 40 GHAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 5206185 URJOKRZVBQSRID-BOPFTXTBSA-N 397.818 3.610 0 40 GHAB C[C@@H]1CCc2c(sc3ncn(CC(=O)c4ccc5c(c4)CCC5)c(=O)c23)C1 5319246 IVTRIAJDTVACML-CYBMUJFWSA-N 378.497 3.954 0 40 GHAB Fc1ccc(OCc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)c(F)c1 6413959 QVDBJLBATBRDFJ-UHFFFAOYSA-N 378.342 3.525 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN3c4ccccc4C[C@H]3C)nc2c1 9115845 LHKXPOZYEIWBBT-OAHLLOKOSA-N 398.532 3.545 0 40 GHAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC3CC3)ccc2Cl)c1 6553284 BBFSTYBKXKSZMJ-UHFFFAOYSA-N 378.881 3.650 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(C)cc3)n[nH]2)cc1 5865857 YBRJATLSUTXCOZ-ZDUSSCGKSA-N 395.488 3.858 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 408706005 SOHNSTMNPLCWIN-FQEVSTJZSA-N 382.460 3.727 0 40 GHAB O=C(COc1ccccc1F)Nc1n[nH]c(SCc2ccc(Cl)cc2)n1 5937347 FOZBPJROCHGKSO-UHFFFAOYSA-N 392.843 3.907 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O 7023901 SHCZSAAZBPMRQD-HUUCEWRRSA-N 381.501 3.915 0 40 GHAB CCc1ccc(-c2noc(CSc3nnc(-c4ccccc4F)n3N)n2)cc1 7113202 JOEVYFFHXPNXRR-UHFFFAOYSA-N 396.451 3.703 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(C)oc2C)c1 7159955 ZJIXHHAWONYFRI-UHFFFAOYSA-N 384.885 3.833 0 40 GHAB COC(=O)c1sc2[nH]c(/C(Cl)=C/c3ccc(OC)cc3)nc(=O)c2c1C 7488917 PZLCGVOYTNGWOX-WQLSENKSSA-N 390.848 3.825 0 40 GHAB CCNC(=O)[C@@H](C)NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 7645149 STQAJXUOZJDWDK-AUUYWEPGSA-N 390.936 3.803 0 40 GHAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)Cc3c(F)cccc3Cl)ccc21 8268011 UDSRTWPKUHITEP-UHFFFAOYSA-N 387.842 3.790 0 40 GHAB O=C(NCCc1ccc(F)cc1F)Nc1cccc(Cn2ccccc2=O)c1 70051655 PVUMIUBKQCKJRX-UHFFFAOYSA-N 383.398 3.539 0 40 GHAB COc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8310358 DDASODWOWAUYTL-GOSISDBHSA-N 382.460 3.632 0 40 GHAB O=C1CCCN1c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 9516058 MNRVGHFFCVKABU-LJQANCHMSA-N 392.455 3.562 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]2N1Cc1ccccn1 306142309 WVUWSWBQLAEWLW-LEWJYISDSA-N 392.890 3.618 0 40 GHAB CC(C)C(=O)Nc1cccc(NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 97102168 FKGUGDKBDCZEGV-HNNXBMFYSA-N 389.496 3.867 0 40 GHAB COC(=O)CCCc1nc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)no1 78806193 VRBFIQKAHUZGDT-SFHVURJKSA-N 382.464 3.774 0 40 GHAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc(OC)c2)ccc1Cl 20485481 YRMQQZHYDHQNID-LBPRGKRZSA-N 377.824 3.931 0 40 GHAB CCOC(=O)[C@H]1CC[C@H](NC(=O)/C=C/c2cc(Cl)c(OCC)c(OC)c2)C1 95418763 FOYLJSBLFMJUIW-AOEIMKSNSA-N 395.883 3.609 0 40 GHAB Cc1ccc(OCc2ccc(C(=O)/N=c3\[nH]nc4cc(C)ccn34)o2)c(C)c1 79071550 PYGBUZJKYSKIJT-UHFFFAOYSA-N 376.416 3.501 0 40 GHAB CCCCc1ccc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2F)cc1 98073083 RVCASUZVBVHPNC-UHFFFAOYSA-N 384.860 3.721 0 40 GHAB Cc1cccc(NC(=O)CN(C)c2ccc(C(=O)N3CCC[C@H](C)C3)cn2)c1C 95958750 FAQZFSSBMWXPRI-INIZCTEOSA-N 394.519 3.645 0 40 GHAB CCOc1ccc([C@H](O)CCN[C@H](CC(=O)O)Cc2c[nH]c3ccccc23)cc1 27517066 PWGVXUZCZYESMS-PGRDOPGGSA-N 396.487 3.666 0 40 GHAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccncc3)[C@](O)(C(F)(F)F)[C@H]2C1 409352403 YSDQEZCFTNNIMK-QWQRMKEZSA-N 383.414 3.997 0 40 GHAB Cc1ccc(CNC(=O)Cn2c(Nc3cc(C)cc(C)c3)nc(C)cc2=O)cc1 67246360 NAOKIADXCFDJOB-UHFFFAOYSA-N 390.487 3.537 0 40 GHAB COc1cc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)ccc1OCc1ccccc1C 62715168 UIWIEDNRKXVULJ-RSNBEDGSSA-N 397.471 3.821 0 40 GHAB Cc1cc(C(=O)NCCOC2CCCC2)c2cc(Br)ccc2n1 511807703 NXIIKQHYSJXURU-UHFFFAOYSA-N 377.282 3.995 0 40 GHAB CC(=O)c1sc(NC(=O)Cn2c(=O)oc3ccccc32)nc1-c1ccccc1 9156173 SHIZUTXIVZTPOI-UHFFFAOYSA-N 393.424 3.559 0 40 GHAB O=C(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)c2ccccc2)o1 526052224 GBBYLMYVWSONEE-UHFFFAOYSA-N 378.409 3.913 0 40 GHAB Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)c3ccccc3)nc12 33067820 GCPWLOCIJDRCMR-UHFFFAOYSA-N 385.423 3.834 0 40 GHAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)CN4CCCC4)C3)n2)c1 72349727 ACIQWJXBBVHIQU-LJQANCHMSA-N 379.504 3.559 0 40 GHAB COC(=O)c1ccccc1NC(=O)CCc1nc(-c2ccccc2Cl)no1 225811122 XXIZGOLTAFQDQP-UHFFFAOYSA-N 385.807 3.748 0 40 GHAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 223635065 OONHHHHROXTKDR-WOJBJXKFSA-N 384.549 3.743 0 40 GHAB COCc1cc(C(=O)Nc2ccc(I)cc2)ccc1OC 224396827 JORISYXOQBKPKA-UHFFFAOYSA-N 397.212 3.699 0 40 GHAB Cc1ccccc1CN(C(=O)COc1cccc(C)c1C)[C@@H](C)C(=O)NC(C)C 225495252 UJAIRGACYSTZQI-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 224169452 HQCNASQBSGEKAI-NRFANRHFSA-N 396.531 3.934 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC[C@@H]2C)n1 225888105 OCSXETRCINWVEI-HNNXBMFYSA-N 376.574 3.541 0 40 GHAB O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)Nc3cccc(F)c3)ccc21 223264086 MYJHOQVXJXBVBN-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB CCCn1cc(-c2nc(-c3ccc4c(c3)OCO4)no2)c(=O)c2cc(F)ccc21 49001942 XHNHKFXOAHNCMP-UHFFFAOYSA-N 393.374 3.996 0 40 GHAB CCCCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1 224061147 SYAMIGHWKWMHLW-UHFFFAOYSA-N 390.505 3.724 0 40 GHAB O=C(/C=C/c1c(F)cccc1F)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 40131802 WVMWWAXUAWSGHR-VNDWYCCKSA-N 386.398 3.526 0 40 GHAB CCOc1ccc(C(=O)N2CCN(C)CC2)cc1COc1cc(C)cc(C)c1 224535946 HFXRJARMIOAXRW-UHFFFAOYSA-N 382.504 3.669 0 40 GHAB O=C(NCc1ccco1)c1cccc(-c2noc(Cc3ccc4n[nH]cc4c3)n2)c1 576019367 BHAHVBNTEQZQMR-UHFFFAOYSA-N 399.410 3.727 0 40 GHAB COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)c(OC)c1 242752734 DHTVPQVTNKOYJF-UHFFFAOYSA-N 382.460 3.503 0 40 GHAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1Cn1cccn1 257283883 PAHQDGIGFNGPTD-OPYGSTPGSA-N 382.504 3.815 0 40 GHAB CCOc1ccccc1-c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCCN3C)[nH]n1 257236005 HAKYLIDYPIJJTQ-GMAHTHKFSA-N 396.535 3.954 0 40 GHAB COc1ccccc1NC(=O)c1ccc(NC(=O)N(C)CC2=CCCOC2)cc1 665329634 MAWYKLWWBITLAS-UHFFFAOYSA-N 395.459 3.758 0 40 GHAB COc1ccc(CN2CCOC[C@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)cc1 585104188 KKJLFSUVAXPZEG-YADARESESA-N 394.515 3.507 0 40 GHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc2nccnc2c1 72396286 WUEZKUUSTJRQNE-LJQANCHMSA-N 383.455 3.682 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1O 3226107 QKQRCEAUXQWYIB-HWKANZROSA-N 396.226 3.903 0 40 GHAB O=C(c1ccccc1Cl)n1nc(-c2cccnc2)nc1NCc1ccco1 5002115 YSSAPNDQXPAYFI-UHFFFAOYSA-N 379.807 3.887 0 40 GHAB O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(OC(F)F)cc1 11941119 GTRDRKXOHPIZAW-UHFFFAOYSA-N 376.388 3.600 0 40 GHAB CC(=O)N1c2ccc(NC(=O)c3c(-c4ccncc4)noc3C)cc2C[C@@H]1C 12204347 ZQPYJONGXPUAAT-LBPRGKRZSA-N 376.416 3.595 0 40 GHAB COc1ccc2cc(COC(=O)[C@H]3COc4ccccc4O3)c(Cl)nc2c1 12757338 SFCNKMXPLGHKRX-GOSISDBHSA-N 385.803 3.780 0 40 GHAB O=C(CNc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12777815 JGEAIBYPKIETMU-UHFFFAOYSA-N 395.772 3.990 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C)ccc1OC 13581357 ZAZCTOUSOVWLOJ-UHFFFAOYSA-N 390.505 3.595 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 13713117 VAKVQXFDJQQFPX-LJQANCHMSA-N 390.505 3.577 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 13996586 HCVWLDVKFHCUAL-UHFFFAOYSA-N 396.487 3.608 0 40 GHAB S=C(Nc1ccc(Cl)cc1Cl)N1CCN(Cc2ccccn2)CC1 16704502 AWNGBOIBDDOBEY-UHFFFAOYSA-N 381.332 3.903 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1 18086606 XLKLFRPBJTYIMF-UHFFFAOYSA-N 379.460 3.548 0 40 GHAB NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)C2CCC2)C1 19374139 XXMXMQNYXZOHBJ-XMMPIXPASA-N 376.500 3.790 0 40 GHAB CCn1ccc(C(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)n1 19525150 VILORXGZQRJZCS-HXUWFJFHSA-N 390.491 3.739 0 40 GHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccncc2)C1 19591628 NQSNWMAOWTXOAX-RUZDIDTESA-N 399.494 3.570 0 40 GHAB NC(=O)/C=C/c1ccc(OCc2ccccc2F)c(I)c1 226333267 XNWHYUNJSHXRCP-SOFGYWHQSA-N 397.187 3.508 0 40 GHAB CC(C)[C@H](N)C(=O)N1CCC(c2cccc(Nc3ncc(Cl)s3)n2)CC1 643550369 DFDJRLPBQMWEMS-INIZCTEOSA-N 393.944 3.624 0 40 GHAB O=C(NCCO)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 12366508 TWQPFEBDDXRYBX-UHFFFAOYSA-N 379.456 3.548 0 40 GHAB O=C(c1n[nH]c2ccccc12)N1CC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 1848353195 WSBHMFBPRUHJTN-OAHLLOKOSA-N 390.418 3.911 0 40 GHAB CCCOc1ccc(C(=O)CCC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 27674827 XQNWFQDJQVYVCY-SFHVURJKSA-N 388.533 3.919 0 40 GHAB Cc1ccn2cc(C(=O)NCc3ccc(C(=O)N4CCCCCC4)cc3)nc2c1 28341500 OTLGJADGNDJBTH-UHFFFAOYSA-N 390.487 3.589 0 40 GHAB COc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)ns2)cc1 3007375 UWDGMBHPKUSETE-UHFFFAOYSA-N 387.486 3.953 0 40 GHAB COc1ccc2cc(CCNC(=O)c3ccc(C(F)(F)F)cc3)c(=O)[nH]c2c1 4032894 GXTTWVMYCBSQGP-UHFFFAOYSA-N 390.361 3.528 0 40 GHAB COC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CCN(C(C)C)C2 4086930 DOJDZGXWLLIBTE-UHFFFAOYSA-N 394.443 3.832 0 40 GHAB COc1ccc(-c2nnc(NC(=O)CSc3ccccc3)s2)c(OC)c1 4174451 MFQPSVWOFIRDFY-UHFFFAOYSA-N 387.486 3.953 0 40 GHAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)[C@@H]1COc2ccccc2O1 5169594 KKJOQGVPQLYULP-AWEZNQCLSA-N 392.198 3.822 0 40 GHAB COc1ccc(OC)c([C@H]2c3cccn3CCN2C(=O)NC2CCCCC2)c1 5256313 WZEHNGAAVVOLKY-NRFANRHFSA-N 383.492 3.953 0 40 GHAB CC(C)(C)C(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc21 13696510 LMUVDPPHWZWAGR-UHFFFAOYSA-N 394.443 3.701 0 40 GHAB C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1ccccc1)N1CCN(C)CC1 22031468 LJIDKAQCRUFBLE-JXFKEZNVSA-N 386.927 3.839 0 40 GHAB Cc1nc(C)c(-c2nnc(S[C@H](C)C(=O)N(C)Cc3ccccc3)o2)s1 40050097 VFSZXXCGCVKWQZ-GFCCVEGCSA-N 388.518 3.949 0 40 GHAB O=C(O)CC1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 20064824 IKQFQTHASNTFMG-MRXNPFEDSA-N 388.217 3.824 0 40 GHAB C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105917 SJEZCLCQSQAIQM-NSHDSACASA-N 378.321 3.746 0 40 GHAB CCCN(CC(=O)Nc1cc(C(C)(C)C)no1)CC(=O)Nc1ccccc1C 31003731 DCCHVNBHWNFTFD-UHFFFAOYSA-N 386.496 3.570 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CC(=O)Nc1ccc(Cl)cc1 31570924 VGSCNGJPSCZOED-UHFFFAOYSA-N 397.862 3.943 0 40 GHAB COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(Cc3ccccc3)o1)C2 32101422 RRYMUTPFZSHUBB-KRWDZBQOSA-N 382.441 3.577 0 40 GHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 2622486 SHGDRYDLALKNMB-LJQANCHMSA-N 376.815 3.715 0 40 GHAB COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3COC(=O)N32)cc(OC)c1OC 1638582 SCLLIEKCYQJGGW-RNODOKPDSA-N 394.427 3.660 0 40 GHAB Cc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 32754415 WQLFBDBVCFWRJR-NRFANRHFSA-N 377.488 3.663 0 40 GHAB Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)C(=O)Nc3ccccc3F)cc2c1 4231237 NODWMQNNKGOQCS-UHFFFAOYSA-N 397.450 3.701 0 40 GHAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N[C@@H]1C[C@H]2CC[C@@H]1C2 4385300 VBGSDXCUDCUKCY-YWPYICTPSA-N 393.896 3.699 0 40 GHAB C[C@H](NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 4469108 VRHJVSYIFUXDDW-LBPRGKRZSA-N 399.541 3.833 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 6502190 FDMMTSPSOJMIMK-UHFFFAOYSA-N 387.288 3.561 0 40 GHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 6939106 SUNBDNGBUBUDAN-IQGJIOQQSA-N 388.489 3.665 0 40 GHAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCCCC1 10041637 WKVIGJZENLJRLF-XLIONFOSSA-N 394.581 3.917 0 40 GHAB COC(=O)C1=C(CSCc2ccco2)NC(=O)N[C@H]1c1ccc(C)cc1C 8306815 OHMMGZCPRWZPRK-SFHVURJKSA-N 386.473 3.611 0 40 GHAB O=C(NCc1ccccc1Cn1cncn1)c1cc(F)c(Cl)cc1Cl 33107032 BDZUODXFXUOROV-UHFFFAOYSA-N 379.222 3.702 0 40 GHAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cncc(Br)c1 22418006 CFOFSNUWNHOOPJ-UHFFFAOYSA-N 389.171 3.715 0 40 GHAB O=C(c1occc1COc1ccccc1)N1CCN(Cc2ccsc2)CC1 22696796 LMBUOAZJUWEWEU-UHFFFAOYSA-N 382.485 3.878 0 40 GHAB Cc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)c(Br)c1 24968442 PMNFAZIKJQMZEM-UHFFFAOYSA-N 389.171 3.577 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)C1 100117193 RDEPUWQJWMJRGU-KZRFCZBWSA-N 395.547 3.869 0 40 GHAB COC(=O)c1cccc(COC(=O)CCc2nnc(-c3ccc(C)cc3)o2)c1 25821728 WUKJUAONTMFMKK-UHFFFAOYSA-N 380.400 3.508 0 40 GHAB Cc1ccc(-c2noc(COC(=O)c3ccc(OC[C@H]4CCCO4)cc3)n2)cc1 26134465 XEZSDCHHRJZBEF-LJQANCHMSA-N 394.427 3.960 0 40 GHAB CCOc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(CC)cc2=O)cc1 57508469 UVMFSGTYPJUGQU-UHFFFAOYSA-N 395.434 3.649 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CCn1cnc2c(C)cccc2c1=O 27067615 OZPQVEDXVQEDMG-UHFFFAOYSA-N 385.851 3.704 0 40 GHAB Cc1ccccc1OCCCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 58004757 QIGPVDFEJMYXEH-UHFFFAOYSA-N 386.536 3.795 0 40 GHAB O=c1nc(SCc2ccc(Cl)cc2)c2c(n1C[C@H]1CCCO1)CCC2 10255424 WNQMULDXYWTZCS-OAHLLOKOSA-N 376.909 3.857 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2nccs2)cc1 58225077 IXIPVDWDNCGXCR-UHFFFAOYSA-N 379.488 3.566 0 40 GHAB CC(C)N(C)CC1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 58324978 VPHQYBNJBGJGAE-UHFFFAOYSA-N 379.353 3.734 0 40 GHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)c1 20458224 CYFRMBPJCYJLQY-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 408574656 BASBLTUPMPIXQI-MRXNPFEDSA-N 386.517 3.881 0 40 GHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 10985424 FDZHDGWXNQVRQH-QWHCGFSZSA-N 399.468 3.946 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 48275339 MXVAXUNPZPEYTE-AWEZNQCLSA-N 379.888 3.523 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1OC 36614173 GIKMHAILODUVTP-LLVKDONJSA-N 381.432 3.917 0 40 GHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccc(OC)cc1 2439309 DVGQOFKSDPLWJO-WMLDXEAASA-N 388.537 3.761 0 40 GHAB CCCCn1c(=O)n(Cc2ccco2)c(=N)c2c3c(sc21)COC(C)(C)C3 2447178 PYTMZGDADJAHKH-UHFFFAOYSA-N 387.505 3.637 0 40 GHAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 12799723 CLOQZXUOWOEUAD-NRFANRHFSA-N 399.878 3.869 0 40 GHAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCc3ccccn3)c2)c1 11402408 SAPDOHYYBMDSBL-UHFFFAOYSA-N 396.468 3.856 0 40 GHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(F)cc1F 12785339 BISRXSVPRUDMBX-UHFFFAOYSA-N 389.427 3.644 0 40 GHAB Cc1ccc(Cn2nc(C)c(C(=O)NCc3cnn(-c4ccccc4)c3)c2C)cc1 11565314 GTTULQYBPRWAIS-UHFFFAOYSA-N 399.498 3.972 0 40 GHAB CCc1nnsc1C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 48338774 KOOFYMCWQDRHNW-GFCCVEGCSA-N 375.494 3.922 0 40 GHAB CC(=O)c1ccc(OC[C@H](O)CN(C)[C@@H](C)c2nc3ccccc3s2)cc1 12814086 QCWISTPWVGSXET-WMLDXEAASA-N 384.501 3.932 0 40 GHAB C[C@H]1c2cccn2CCN1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 12985705 JZZJESQTNBVDPC-INIZCTEOSA-N 394.544 3.881 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)Nc3cc(Cl)cc4cccnc34)cnc12 12981534 FJSNUKIZFXMFST-UHFFFAOYSA-N 392.846 3.935 0 40 GHAB CCCCn1nnnc1CSc1ncc(-c2ccc(Br)cc2)[nH]1 19299203 QWSVAQAUNQQAPI-UHFFFAOYSA-N 393.314 3.918 0 40 GHAB O=C(COC(=O)COc1ccc2c(c1)CCC2)Nc1ccccc1C(F)(F)F 5241844 SFPKMEPIAOFILS-UHFFFAOYSA-N 393.361 3.755 0 40 GHAB COc1ccc(CCNC(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 6314284 XNOZJPAHSGCYNN-UHFFFAOYSA-N 375.881 3.676 0 40 GHAB CC(=O)Nc1ccc(OCc2cc3c(cc2Br)OCCO3)cc1 14199734 PFICLXLIQMHLHB-UHFFFAOYSA-N 378.222 3.758 0 40 GHAB Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nnc(C)s3)[C@H]2c2cccs2)cc1 6553679 HFKRFJZMRHYYMF-PBHICJAKSA-N 398.513 3.949 0 40 GHAB COc1ccc(CN(C)CC(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1OC 6589118 DVAPRXTVUJNRJY-UHFFFAOYSA-N 395.459 3.738 0 40 GHAB COc1ccc([C@H]2C[C@H](c3cccc(Br)c3)Nc3nnnn32)cc1 6662644 BYJSSNPRGKAJJW-HZPDHXFCSA-N 386.253 3.591 0 40 GHAB CCCCO[C@H]1C[C@H](N(C)C(=O)c2sc(-c3cnn(C)c3)nc2C)C1(C)C 72310270 FXSBTWBHIZKQEX-HOTGVXAUSA-N 390.553 3.908 0 40 GHAB Cc1c(CC(=O)NCCc2ccc(F)cc2)c(=O)oc2cc(O)c(Cl)cc12 4742991 COAABWNIDVEXLF-UHFFFAOYSA-N 389.810 3.501 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(CN2CCC(Cc3ccccc3)CC2)n1 6831507 QKOJDIYRPLDLHB-UHFFFAOYSA-N 388.519 3.961 0 40 GHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2c(C)[nH]c3ccccc23)C1=O 5956495 VYZZOTXRKHBDMH-QHCPKHFHSA-N 389.455 3.906 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1 9237251 ZENZXYLKEJSZTK-MOPGFXCFSA-N 393.516 3.910 0 40 GHAB CCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)s1 9224797 OUDOBZHGXUGNFL-LLVKDONJSA-N 378.885 3.759 0 40 GHAB COc1cc(C(=O)NC[C@H]2CCCO2)ccc1OCc1ccccc1Cl 15934608 XOBQIEUVOJIPRK-MRXNPFEDSA-N 375.852 3.836 0 40 GHAB COc1ccc(-n2nnc(-c3nc(-c4ccccc4C)no3)c2C)cc1OC 7615734 UNQFLOOLNONXEO-UHFFFAOYSA-N 377.404 3.618 0 40 GHAB COc1ccc(CCN(C)CC(=O)N2CCC[C@@H]2c2cccs2)cc1OC 16338771 PKMYMEMPWFQGNO-QGZVFWFLSA-N 388.533 3.603 0 40 GHAB CC[C@@H](NC(=O)c1ccc(OC(C)C)c(OC)c1)c1nnc2n1CCCCC2 72318848 QWNNJKGRRYHXNF-MRXNPFEDSA-N 386.496 3.681 0 40 GHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nc2ccccc2o1 8075686 VNMMDEYJIIIQDU-UHFFFAOYSA-N 383.407 3.823 0 40 GHAB Cc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCO)cc1 16806659 SSUXYHTZRKWJKR-LJQANCHMSA-N 377.440 3.646 0 40 GHAB CCOC(=O)c1c(CSc2nnnn2C(C)(C)C)nc2ccccc2c1C 8252759 MEXGAGJLCVHHNZ-UHFFFAOYSA-N 385.493 3.754 0 40 GHAB Cc1ccc(-c2ccc3c([C@@H]4CN(Cc5cccc(C)n5)CCO4)nnn3c2)cc1 306128503 HCJRLXOMINORPK-QHCPKHFHSA-N 399.498 3.982 0 40 GHAB CN1C(=O)[C@@]2(SCC(=O)N2c2cccc(C(F)(F)F)c2)c2ccccc21 8594664 MWXCGDVAISAMSY-KRWDZBQOSA-N 378.375 3.615 0 40 GHAB O=C(NCCc1ccccn1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 24584213 WUBWAQWYXCRSDE-UHFFFAOYSA-N 393.512 3.619 0 40 GHAB COc1cccc(CNC(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)c1 89470036 MROWPYZLSWMYJH-UHFFFAOYSA-N 375.472 3.582 0 40 GHAB Cc1cccc([C@@H]2CC(c3cccc(Br)c3)=NN2S(C)(=O)=O)c1 89669360 XRSUCUZPODAACI-KRWDZBQOSA-N 393.306 3.868 0 40 GHAB CC(C)c1ccc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2N2C(=O)CSC2=O)cc1 28284091 REOTXWRPBBFBFK-HDDQXRTFSA-N 386.517 3.946 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 23140303 BNBDFECNQAMUMI-OAHLLOKOSA-N 383.473 3.755 0 40 GHAB CC(C)Oc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408706899 DVRJOIGHXPESSV-MRXNPFEDSA-N 386.879 3.797 0 40 GHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccccc3N3CCCC3)c12 36616217 IBNWIVADONLPKB-UHFFFAOYSA-N 389.503 3.684 0 40 GHAB O=C(N[C@H](CC(=O)N1CCOc2ccccc21)c1ccccc1)c1ccccc1 512310831 ZSEJTTNKZPTVKF-HXUWFJFHSA-N 386.451 3.973 0 40 GHAB COc1cc2c(cc1OC)[C@@H](NC(=O)C1(c3ccccc3)CCOCC1)CC2 524735403 AQCBMNXRMHZWCL-IBGZPJMESA-N 381.472 3.556 0 40 GHAB COc1ccc(F)c2[nH]c(C(=O)NCc3ccc(C)cc3O[C@H]3CCOC3)cc12 527250121 HLQPSVXEWQDXGW-HNNXBMFYSA-N 398.434 3.722 0 40 GHAB CC(C)(C)OC(=O)c1cc(I)c(C(F)(F)F)cc1N 39951668 XHTULNFTRMOALE-UHFFFAOYSA-N 387.139 3.848 0 40 GHAB O=C(NCc1cccnc1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849964 QKMHSQUGNYARBX-INIZCTEOSA-N 378.303 3.917 0 40 GHAB CCn1ncc(-c2cc(C(F)F)nc(N[C@@H](C)CN3CCCCC3)n2)c1C 36613722 XIGDUSVNHGZGDK-ZDUSSCGKSA-N 378.471 3.892 0 40 GHAB CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc(Cl)cc1 33654704 FXYMKKZBIPHHHT-UHFFFAOYSA-N 380.897 3.606 0 40 GHAB O=C1CN(C(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2N1 39745045 OMABCALFFVJZAI-UHFFFAOYSA-N 383.879 3.537 0 40 GHAB O=C(OCc1ccccc1)[C@H](CO)N(Cc1ccccc1)Cc1ccccc1 35315339 IZGCKWHDNJEEAX-QHCPKHFHSA-N 375.468 3.793 0 40 GHAB in-vitro O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)[C@H]1CCCC[C@H]1C(=O)O 32610363 IPLKGIOSBCGCBO-JKSUJKDBSA-N 395.381 3.780 0 40 GHAB CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CCCC3)cc2)c1C(F)(F)F 48306899 GCXOSSWHUDFDAU-UHFFFAOYSA-N 396.369 3.696 0 40 GHAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)Cc1cccc(Br)c1 225622350 IDIWKQXEMRVNJE-OAHLLOKOSA-N 387.321 3.949 0 40 GHAB O=S(=O)(NCc1ccco1)c1cc(Br)c2cccc3c2c1CC3 41105698 PLGCHHCMVMDQIM-UHFFFAOYSA-N 392.274 3.772 0 40 GHAB CCc1ccc(O[C@H](CC)C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1 222895633 BWGZZTHDWVPSPB-GOSISDBHSA-N 387.476 3.749 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 44883214 BOBLZQYGPATSBR-CYBMUJFWSA-N 380.897 3.978 0 40 GHAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 223684238 KECRFCCXWIQQOX-VQTJNVASSA-N 398.532 3.534 0 40 GHAB CCOc1cc(C(=O)NC[C@@](C)(O)c2cccs2)cc(OCC)c1OCC 77184976 VCGDQEAGPOYFKQ-HXUWFJFHSA-N 393.505 3.582 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 225594295 QYRCNIVPSTYLBO-OAHLLOKOSA-N 390.886 3.964 0 40 GHAB CCn1nc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Cl)cc1C 227159846 IGVHXOLBNGVSKJ-UHFFFAOYSA-N 387.871 3.847 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1F 223842700 MCSJXRIETVQLCO-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccco2)c1 225279960 WUSLKYXYGQEFBR-HKWRFOASSA-N 378.428 3.701 0 40 GHAB Cc1cc(NC(=O)c2ccc(O[C@@H]3CCOC3)nc2)ccc1Br 225708951 JPQDXJBCLNNZNC-CQSZACIVSA-N 377.238 3.573 0 40 GHAB O=C1[C@@H]2C[C@@H](CN2C(=O)c2ccc(Cl)cc2)Oc2ccccc2N1CC1CC1 96111636 JOLNGQHVTKPLLY-HKUYNNGSSA-N 396.874 3.759 0 40 GHAB biogenic,in-vitro CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccccc1Br 95476369 PECYJAQMJFMRBW-ZDUSSCGKSA-N 382.283 3.944 0 40 GHAB CCN(C[C@@H](C)O)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 585082426 SERXJFPVIVXBRR-LLVKDONJSA-N 382.291 3.511 0 40 GHAB COc1cccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3cn(C)nc3C)nc2)c1 649131100 VWPAFUUTAYSQOK-OAQYLSRUSA-N 392.459 3.902 0 40 GHAB Cc1nc(-c2cccc(NC(=O)N[C@H](C[C@H]3CCCO3)C(F)(F)F)c2)no1 653953966 XTPOAKVCGHPSFA-ZIAGYGMSSA-N 384.358 3.667 0 40 GHAB COc1cccc(C2(NC(=O)N[C@H](C)c3cn(-c4ccccc4)nn3)CCC2)c1 664440006 CVBDNTMYZYOKED-MRXNPFEDSA-N 391.475 3.716 0 40 GHAB Cc1nc(N)c2c(C)c(C(=O)Nc3ncc(-c4ccccn4)s3)sc2n1 672101068 BBHUBLPTPBFBCZ-UHFFFAOYSA-N 382.474 3.661 0 40 GHAB O=C(c1ccc2nc(O)oc2c1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 677812336 WYYPCMOSIQCXEB-UHFFFAOYSA-N 391.471 3.662 0 40 GHAB O=C(NCCc1cnc(C2CC2)nc1)N1CC[C@]2(c3ccccc3)[C@H](C1)C2(F)F 606444768 LPIRXRYBXYWDKA-RXVVDRJESA-N 398.457 3.515 0 40 GHAB Cc1cnc(N=c2[nH]ccnc2[C@H]2CCCN2C(=O)/C=C/c2ccccc2)s1 585293321 ZPZUTRFNAOTYSK-OAGJVSPASA-N 391.500 3.784 0 40 GHAB C[C@@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1cc2ccccc2o1 56422028 LKOIFSNBRSDGME-MRXNPFEDSA-N 378.476 3.853 0 40 GHAB O=C(NC[C@H]1COCCO1)c1sc(-c2ccccc2)nc1-c1ccccc1 55846413 IDJUJBIJFOMNLE-KRWDZBQOSA-N 380.469 3.622 0 40 GHAB CCOc1ccccc1CN1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615154481 HUDSRVCGLCRKPC-UHFFFAOYSA-N 398.478 3.622 0 40 GHAB COc1ncccc1CN1CC[C@H]2CC(=O)Nc3cc(C)ccc3OCC[C@H]2C1 1534646265 HBDMCBKFWXPVCG-ROUUACIJSA-N 395.503 3.648 0 40 GHAB COc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(=O)c1ccccc1 5836109 LIMDMUDBAFXEQB-UHFFFAOYSA-N 389.407 3.722 0 40 GHAB C[C@@H]1CCc2noc(C3CCN(C(=O)c4cc(-c5ccco5)n[nH]4)CC3)c2C1 12119895 XSBNPLBSRRUMMM-CYBMUJFWSA-N 380.448 3.802 0 40 GHAB O=C(Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1)c1ccccc1F 13368353 BRXFKJFQMYEZCT-UHFFFAOYSA-N 395.415 3.726 0 40 GHAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC[C@@H](O)C4)cc3)cc12 13563058 LRRYKQISDRHQSB-HXUWFJFHSA-N 377.488 3.718 0 40 GHAB O=C(c1cc(-c2ccncc2)c2cnccc2n1)N(Cc1ccccn1)C1CC1 19401374 FYZQBXHRGVONOF-UHFFFAOYSA-N 381.439 3.892 0 40 GHAB COc1ccccc1[C@]1(O)CCC[C@H]2CN(Cc3cnc(C(C)C)nc3)C[C@@H]21 19453962 ZMAOSUYZYDLIEB-GREBRCKQSA-N 381.520 3.728 0 40 GHAB CCCC(=O)N1CCC[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)NCC)C1 19501232 YLFXQZUIVCFCQC-DEOSSOPVSA-N 393.531 3.836 0 40 GHAB CCc1cc(C(=O)N2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCCN3C)on1 19713055 MBNFZALXWCNHON-NJYVYQBISA-N 381.520 3.937 0 40 GHAB Cc1c(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)sc2nc[nH]c(=O)c12 19717819 OLQLCVMNDYYTHV-LBPRGKRZSA-N 395.488 3.715 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@]1(O)CCCc2sccc21 1889240335 BTTVHROSQMDXCC-IBGZPJMESA-N 379.909 3.899 0 40 GHAB O=C1C[C@H]2[C@H](CCN2Cc2cccc(F)c2F)N1Cc1cc(F)cc(F)c1 1565553048 IHBPTJRFSHGEDK-ROUUACIJSA-N 378.369 3.618 0 40 GHAB CC(C)C(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc21 5099669 SMBOIRKYPPWPAV-UHFFFAOYSA-N 394.443 3.701 0 40 GHAB Cc1ccc(-n2nnnc2CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1C 9570327 JJLVMIJDKJHTBO-UHFFFAOYSA-N 397.482 3.805 0 40 GHAB O=C(Cc1csc(SCC(=O)c2ccccc2)n1)NCc1ccccc1 11027456 ZCGFMHDMHSQPSU-UHFFFAOYSA-N 382.510 3.977 0 40 GHAB COc1ccc(-c2nc(CNS(=O)(=O)c3ccc(C)c(C)c3)cs2)cc1 17053123 OQSWILQZRISEGS-UHFFFAOYSA-N 388.514 3.914 0 40 GHAB O=C(CCC1CCCCC1)NCCn1ncc2c(N3CCCCCC3)ncnc21 17149671 GLFSDXJANUXKGL-UHFFFAOYSA-N 398.555 3.683 0 40 GHAB O=C(COc1ccccc1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 21688148 FBPBGHFDVHZLKA-UHFFFAOYSA-N 393.512 3.533 0 40 GHAB Cn1cc([C@H]2CN(C(=O)c3cc(-c4cccs4)on3)Cc3ccccc32)cn1 585407519 FRWQPHFPKHLRAX-QGZVFWFLSA-N 390.468 3.925 0 40 GHAB CCCn1c(SCc2nc(-c3ccccn3)no2)nc2ccccc2c1=O 363215660 LGFZCAPOOOHYPZ-UHFFFAOYSA-N 379.445 3.544 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2C(=O)N[C@]34CCCC[C@@H]3[C@H]2c2ccccc2O4)c1 4030011 SPSIPKWKABOJQM-CFKGEZKQSA-N 376.456 3.742 0 40 GHAB biogenic COC(=O)CCCCN(CCc1ccccc1O)Cc1ccc(C(=O)OC)cc1 136811291 REXQBEYYHXLNSO-UHFFFAOYSA-N 399.487 3.567 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1 40119454 WDWKUSCUJFWSFU-UHFFFAOYSA-N 389.477 3.514 0 40 GHAB Cc1noc(C)c1CSc1ncccc1C(=O)NCC1(N(C)C)CCCC1 40121154 OKWUKEWTYWQFCO-UHFFFAOYSA-N 388.537 3.583 0 40 GHAB O=C(NCc1ccc(F)cc1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 31081078 MUGMNOVILMYBNT-UHFFFAOYSA-N 384.451 3.908 0 40 GHAB COc1cc(OC)c(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1Cl 31482485 MILOHPKQCNZSGD-UHFFFAOYSA-N 375.787 3.934 0 40 GHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 46004542 CSCFBJJARIRYTK-LZQZEXGQSA-N 389.496 3.521 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(OCc2ccccc2)cc1 2632299 MMZZMVAMUOZGFB-UHFFFAOYSA-N 385.423 3.614 0 40 GHAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)NC1CCCCC1 1238118 WVBDBSNRYKLOMS-UHFFFAOYSA-N 397.450 3.807 0 40 GHAB CC(=O)[C@H]1C[C@@H](CC(=O)NC(=S)Nc2ccc(Br)cc2)C1(C)C 3101753 AJXAZWSGDCCIBF-SMDDNHRTSA-N 397.338 3.904 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 3386727 KOHFXNIPMFKJQQ-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB CCOc1ccc2[nH]c(=O)c(-c3nc4cccc(C)n4c3NCCOC)cc2c1 4847651 CUEDHNFSZJJUHQ-UHFFFAOYSA-N 392.459 3.608 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccc(F)cc2)c1 6681095 AVGAFJNCSOXJPC-UHFFFAOYSA-N 390.461 3.965 0 40 GHAB COCCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(C)cc1 21782779 UWJFYTGSERXEHU-QFIPXVFZSA-N 391.471 3.981 0 40 GHAB COc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4)CC3)cs2)cc1 7372567 HVTQMGKERHTVJG-UHFFFAOYSA-N 379.485 3.781 0 40 GHAB COc1ccc(CCNC(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 7983369 QDUOTLAYPIPBSQ-UHFFFAOYSA-N 389.952 3.588 0 40 GHAB Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 102617829 BLICVOYKBNDTER-CPLUKWAASA-N 375.424 3.750 0 40 GHAB Cc1c(C)c(C)c(C(=O)COC(=O)c2ccccc2S(C)(=O)=O)c(C)c1C 21867519 IKBXUNUKVYHJPR-UHFFFAOYSA-N 388.485 3.672 0 40 GHAB C[C@H]1Cc2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2N1S(C)(=O)=O 10324193 OERGJZZRHUDENW-JTQLQIEISA-N 399.299 3.956 0 40 GHAB Cc1sc2nc([C@@H](C)Sc3nnnn3C3CCCC3)[nH]c(=O)c2c1C 8013637 AHHDFQLGLOUEBO-SNVBAGLBSA-N 376.511 3.556 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl 8105529 ZYHUNZZSDUWCGQ-UHFFFAOYSA-N 392.908 3.588 0 40 GHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc21 8959421 NZZNDWAXPUMQCX-UHFFFAOYSA-N 398.459 3.728 0 40 GHAB C[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 10968642 FZPADKJXWOKASU-OAHLLOKOSA-N 389.517 3.644 0 40 GHAB COc1ccc(CCNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 723847 OESBYBVSLGDMQP-UHFFFAOYSA-N 387.530 3.768 0 40 GHAB Cc1cnc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)s1 23055227 QSQKRHGHMHZEAE-UHFFFAOYSA-N 391.449 3.644 0 40 GHAB Cc1ccc(OCc2nc(Cn3ncc(Cl)c(Cl)c3=O)cs2)cc1 54236455 KWDMNMCZSGECKV-UHFFFAOYSA-N 382.272 3.942 0 40 GHAB O=C(CSc1nnc2sc3ccccc3n12)c1ccc2c(c1)OCCO2 952672 DKUSBENTYHJTPR-UHFFFAOYSA-N 383.454 3.690 0 40 GHAB CCC(C)(C)n1nnnc1[C@H](CC(C)C)N1CCN(c2ccccc2F)CC1 57669937 FEVKRJGKIWQAKA-IBGZPJMESA-N 388.535 3.867 0 40 GHAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1 1018479 SLFSZKSJQWBNQY-UHFFFAOYSA-N 398.459 3.655 0 40 GHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101690643 YGPYPLBLTBVAPJ-WSVVRNJXSA-N 378.463 3.660 0 40 GHAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)Nc1cccc(C(F)(F)F)c1)C(=O)C2 100843576 ZLPFVDXUEVRGBT-BZNIZROVSA-N 375.412 3.843 0 40 GHAB Clc1ccccc1CN1CCO[C@@H](CSc2nnc(NC3CC3)s2)C1 24601888 LOSOGFFWHVOCPV-CQSZACIVSA-N 396.969 3.759 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3c(F)cccc3Cl)sc2c1 3236725 QCPHJLWAMNVJGW-UHFFFAOYSA-N 384.841 3.745 0 40 GHAB O=C(Nc1cccc(OCc2cscn2)c1)N[C@H]1COc2ccccc2C1 107377820 ZHJYAZYLLDMHGO-MRXNPFEDSA-N 381.457 3.847 0 40 GHAB Cc1nnc(SCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)n1Cc1ccccc1 102761463 JPNXWUXTYKWEKI-UTRMSSBJSA-N 384.549 3.668 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1Br 20142353 AUWQENHFYPGULT-UHFFFAOYSA-N 378.222 3.727 0 40 GHAB Cc1ccc(NCc2c(C)noc2C)cc1S(=O)(=O)N1CCCCCC1 26781590 HBHAYIWRCJOKNF-UHFFFAOYSA-N 377.510 3.777 0 40 GHAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 57577136 VDAQKXPIBKVQLI-UHFFFAOYSA-N 379.504 3.773 0 40 GHAB Cc1ccccc1Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1 3304135 KDKYAPNXWNWOCB-UHFFFAOYSA-N 387.515 3.952 0 40 GHAB Cc1c(C(=O)N[C@@H]2CCN3CCCC[C@H]23)sc2nc(C(F)(F)F)ccc12 58299381 VETOKOSLQXQGBG-CHWSQXEVSA-N 383.439 3.980 0 40 GHAB Cc1ccc(CNC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1 3367191 VNFRAGSDJVCWLK-UHFFFAOYSA-N 387.650 3.823 0 40 GHAB CCOc1ccccc1OCc1nn2c(CCc3ccccc3)nnc2s1 10311919 JUNSYPZPDLTALD-UHFFFAOYSA-N 380.473 3.949 0 40 GHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 3363781 BKMGCPLOOMRCBU-ZDUSSCGKSA-N 381.259 3.594 0 40 GHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(O)c3)[C@@](O)(C(F)(F)F)[C@H]2C1 409098684 JHYCOBQUJZSHJX-IAISJRAMSA-N 384.398 3.917 0 40 GHAB COc1cc(OC)c2[nH]c(C(=O)N(C)CCOc3ccccc3Cl)cc2c1 12791255 VZABRAKZKPLYAG-UHFFFAOYSA-N 388.851 3.990 0 40 GHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccc(F)c(Cl)c1 12766513 SPSAWIOPBZXFKX-UHFFFAOYSA-N 391.855 3.837 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(=O)OCC(C)C)c3)CC2=O)cc1 28580645 GICUGRIVTVIQEY-GOSISDBHSA-N 394.471 3.799 0 40 GHAB O=C(CN1CCN(c2ccccc2Cl)CC1)N[C@@H]1CCCc2ccccc21 59785450 XCOBWSXJZRXPRS-HXUWFJFHSA-N 383.923 3.656 0 40 GHAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1OC(F)(F)F 12887230 HAISVROEKUKFEF-UHFFFAOYSA-N 387.379 3.735 0 40 GHAB CSc1ccc(N2C[C@H](C(=O)N(C)Cc3ccc(F)c(F)c3)CC2=O)cc1 12978998 VFYKVMHHRCBSCB-CQSZACIVSA-N 390.455 3.698 0 40 GHAB CCNC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 3600254 SXCADHVDUZIXFD-UHFFFAOYSA-N 391.562 3.680 0 40 GHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)COc1cccc(C)c1 13039650 TZEWRXIVVSQAHB-UHFFFAOYSA-N 394.393 3.668 0 40 GHAB CSc1ccc(N2C[C@@H](C(=O)Nc3ccc(NC(C)=O)c(C)c3)CC2=O)cc1 13022402 GCVUMHZFGUZSNE-HNNXBMFYSA-N 397.500 3.667 0 40 GHAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCOC(C)C)c(C)c12 4089388 WJEOERQAUNQPDL-UHFFFAOYSA-N 385.460 3.938 0 40 GHAB biogenic CCOc1ccc([C@]2(O)C[N+]3=C(CCCCC3)N2c2ccc(OC)cc2)cc1 13510443 JSRDODSZELYCPC-HSZRJFAPSA-N 381.496 3.744 0 40 GHAB O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)Nc1ccc(Cl)cc1 5009854 MLMXWXILJSFUOV-UHFFFAOYSA-N 396.859 3.812 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)o1 65540516 GAAOQJHHUSVHNN-RISCZKNCSA-N 381.881 3.732 0 40 GHAB O=C(Nc1cccc(Cl)c1)C1CCC(Cn2nnc3ccccc3c2=O)CC1 5325444 HJFWVVBRWOELNC-UHFFFAOYSA-N 396.878 3.890 0 40 GHAB O=C(COc1ccccc1Br)Nc1ccc2c(c1)OCCCO2 6785027 GCVSJKNXTPOEIE-UHFFFAOYSA-N 378.222 3.628 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1)S2 6812139 YAIHBKIIWMETAJ-ROUUACIJSA-N 379.489 3.628 0 40 GHAB C[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NC(=O)NC(C)(C)C 15695618 MUTPJJYMUVWANW-CQSZACIVSA-N 384.432 3.649 0 40 GHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc2c(c1)CCC2 8187482 FHJRWJQIOFWYPN-UHFFFAOYSA-N 379.485 3.874 0 40 GHAB Cc1ccc(-c2cc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)on2)cc1 9482195 WWMFYFJXLPRJGR-GOSISDBHSA-N 375.428 3.637 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H](Sc1nnnn1C1CC1)c1ccccc1 8232284 WUQGRFOZYGKTSQ-SFHVURJKSA-N 395.488 3.879 0 40 GHAB Cc1ccc(NC(=O)c2ccc(Nc3ccncc3)cc2)cc1NS(C)(=O)=O 78821904 VJYFJZPGBBPSPS-UHFFFAOYSA-N 396.472 3.757 0 40 GHAB CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)ccc1OC 408606582 ITCHSBGAYZUUJK-LJQANCHMSA-N 397.500 3.525 0 40 GHAB COc1cccc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 95998717 JCOMWKJHCVQDFN-KRWDZBQOSA-N 396.491 3.567 0 40 GHAB O=C(c1ccn(-c2ccccc2Cl)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 95980246 QZVAZFUFEOXNCK-AWEZNQCLSA-N 396.882 3.541 0 40 GHAB CSc1ccc(Cl)c(C(=O)Nc2cccnc2N2CCC(CO)CC2)c1 79358645 VMDWGVPRJTWKGW-UHFFFAOYSA-N 391.924 3.918 0 40 GHAB CC(=O)N[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CCCC1 9953851 YYXDFBJAPCGFIS-INIZCTEOSA-N 379.432 3.722 0 40 GHAB Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 409233535 GEOAWOYSKGRKDD-RIYZIHGNSA-N 376.434 3.871 0 40 GHAB CCc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 22361791 JWHPPDDMMPRHIG-QGZVFWFLSA-N 388.533 3.509 0 40 GHAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)cc1 35685105 SGRBDBXABPKGLD-KRWDZBQOSA-N 390.399 3.508 0 40 GHAB CC(C)c1ncsc1C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 515135966 FKYLQAPNEVVFQO-QWHCGFSZSA-N 376.482 3.868 0 40 GHAB O=C(C[C@]1(O)C(=O)Nc2c(Cl)cccc21)c1ccc(Br)s1 32087647 BTFNMJWHRTXPAG-CQSZACIVSA-N 386.654 3.577 0 40 GHAB Cc1n[nH]cc1C(=O)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72359013 LUNDTHUOCPUEBN-HNNXBMFYSA-N 381.867 3.848 0 40 GHAB COc1ccc(OC)c(NC(=O)CSCc2cc(=O)c3cccc(C)c3[nH]2)c1 33063989 YUBDTCIMAPOCLG-UHFFFAOYSA-N 398.484 3.726 0 40 GHAB Cc1ccc(C2(C(=O)N3CCN(Cc4ccccc4C)CC3)CCOCC2)cc1 72265180 QXQXUPIPGSRHGZ-UHFFFAOYSA-N 392.543 3.696 0 40 GHAB O=c1n(Cc2ccccc2F)nc2nnc(-c3ccccc3)c(-c3ccccc3)n12 72339933 VNPKRNPVUMSLHD-UHFFFAOYSA-N 397.413 3.807 0 40 GHAB COc1cccc(CC(=O)N2CCC[C@H]2c2cccc(Nc3nncs3)n2)c1 72375248 YNAMJIYYSVCJNN-KRWDZBQOSA-N 395.488 3.592 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C)c(C)c1 219220488 REGPQLFIRUBLJS-FQEVSTJZSA-N 386.517 3.860 0 40 GHAB O=C(NCC1CCN(c2cnccn2)CC1)Nc1ccc(Cl)c(Cl)c1 70930772 OZOWWHWKPWUJOU-UHFFFAOYSA-N 380.279 3.822 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1C 219979425 UFQZRLZUBYNHHH-QGZVFWFLSA-N 386.517 3.579 0 40 GHAB O=S(=O)(Cc1c(F)cccc1Cl)NCc1cccc(CN2CCCC2)c1 224615663 QHPQXUNDLWEFPR-UHFFFAOYSA-N 396.915 3.695 0 40 GHAB CCc1ccccc1NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 47075673 FRZCFYNWBULQLN-UHFFFAOYSA-N 396.487 3.757 0 40 GHAB O=C(N[C@H](c1cccnc1)C1CCOCC1)c1cccc(OC(F)(F)F)c1 225622043 JAZRUEPZQUZBRM-KRWDZBQOSA-N 380.366 3.878 0 40 GHAB CCOc1ccc(S(=O)(=O)NCc2cncc(-c3cccs3)c2)cc1F 225668892 RLXUDHIKVQPEOZ-UHFFFAOYSA-N 392.477 3.826 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1Cl 223828954 WPLLZTPVOMDBFS-UHFFFAOYSA-N 378.208 3.720 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)c2)c1 223947673 JUCBQMRYSKEMFD-RZQQEMMASA-N 384.501 3.714 0 40 GHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1C1CCCC1 223573611 XCWVXUGOSVXWQB-UXHICEINSA-N 384.549 3.580 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1 222560810 HQDYOABWXYBIRR-DENIHFKCSA-N 396.531 3.830 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C(C)C 225652411 MFVILSBEWKSOJH-UHFFFAOYSA-N 377.462 3.699 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)nc2O)cc1 40163763 HYAYHZAMUPKHIA-UHFFFAOYSA-N 387.848 3.881 0 40 GHAB O=C(CC1CCCCC1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 40121992 SLJOHXCKESQTQU-UHFFFAOYSA-N 382.426 3.960 0 40 GHAB COC(=O)c1ccsc1NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 40146320 SAXFEIVDVANIIF-UHFFFAOYSA-N 392.440 3.580 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1Cl 223624709 WUMIBWARVWRMTO-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223868741 QNYHKUUZUJJFRT-HOTGVXAUSA-N 389.517 3.858 0 40 GHAB CC(C)N(C)Cc1ncn2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CCC2 96259246 VSRZACWQWXKYAX-UHFFFAOYSA-N 394.441 3.788 0 40 GHAB FC(F)(F)c1ccc([C@@H]2CN(c3nccc(-c4cnccn4)n3)CCO2)cc1 583481305 YGKMMEGLZWSAGP-KRWDZBQOSA-N 387.365 3.530 0 40 GHAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 243148049 JMUIVNPVQCYOIT-LLVKDONJSA-N 379.243 3.994 0 40 GHAB Cc1cccc(Nc2cccc(C3CCN(C(=O)C4CCOCC4)CC3)n2)n1 257247630 IZVMWBZXNOABKW-UHFFFAOYSA-N 380.492 3.661 0 40 GHAB Cc1cccc(N2C[C@H](c3cc(O)nc(N4CCC[C@@H](C)C4)n3)CC2=O)c1C 253603645 IXXSWFWJYPTZNN-RHSMWYFYSA-N 380.492 3.556 0 40 GHAB CN(C)[C@@H]1CCCN(C(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)C1 592377081 XWKPNPRWXSEDHG-OAQYLSRUSA-N 392.478 3.845 0 40 GHAB C[C@]1(C2CC2)CN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CCO1 617401971 AJPWZRXXZYCLJY-OAQYLSRUSA-N 394.500 3.637 0 40 GHAB Cc1nc(O)c2c(n1)CN(c1nc(C)nc3scc(-c4ccccc4)c13)C2 1120546402 BGTYWMOYLSQIPN-UHFFFAOYSA-N 375.457 3.991 0 40 GHAB Cc1ncc(C(=O)N2CC(C)(C)Oc3cc(Br)ccc32)c(C)n1 585114433 QCIWMYZILRGSBP-UHFFFAOYSA-N 376.254 3.674 0 40 GHAB O=C(/C=C/c1ccco1)N1CCC(Cc2cc(Nc3nccs3)ncn2)CC1 585291405 CHERDUJLDGIXNR-ONEGZZNKSA-N 395.488 3.764 0 40 GHAB Cc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)c1C 876835 VPRMGWWXSZCVQE-LIJORCRASA-N 392.455 3.896 0 40 GHAB Cc1ccccc1-c1noc([C@H](C)NC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)n1 12201094 JPWOFXZNJGUMNN-OYHNWAKOSA-N 390.443 3.806 0 40 GHAB COC(=O)c1ccc(CS[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 13017977 IPRZTKKQUFWTQV-CYBMUJFWSA-N 387.457 3.505 0 40 GHAB CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)CC(C)(C)C)s2)CC1=O 13944376 AWZMCJUFHXFBIZ-AWEZNQCLSA-N 386.521 3.996 0 40 GHAB O=C(CCc1ccccc1)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 15734163 NGMOHOUBCAEHQE-UHFFFAOYSA-N 397.500 3.875 0 40 GHAB CC(C)(C)c1csc(CCNC(=O)[C@@H]2CC(c3ccccc3Cl)=NO2)n1 19662458 VXKOIMZVRWMWKT-HNNXBMFYSA-N 391.924 3.946 0 40 GHAB Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1 2635430 LNMRLTJZXFGSKH-UHFFFAOYSA-N 398.919 3.813 0 40 GHAB C[C@@H](OC(=O)c1ccc(OC(F)(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 5361340 RZPBOAWFEUZBQT-SNVBAGLBSA-N 378.306 3.740 0 40 GHAB Cc1ccc(C)c(SCC(=O)N[C@H](C)[C@H](c2ccccc2)N2CCOCC2)c1 25337109 VDGZDNGPJSFVNO-AUSIDOKSSA-N 398.572 3.974 0 40 GHAB OCCOc1ccc(CN[C@H]2CCCc3ccccc32)c(Br)c1 29656405 AESPREAYGSLOFG-IBGZPJMESA-N 376.294 3.987 0 40 GHAB CO[C@@H]1CCN(c2ccc(C(=O)NCc3cccc(Br)c3)cc2)C1 245131302 VODQOROEGSURMY-GOSISDBHSA-N 389.293 3.604 0 40 GHAB O=C(Nc1ccccc1I)c1ccc2nsnc2c1 57315664 NEKSSQSKBIFHIL-UHFFFAOYSA-N 381.198 3.548 0 40 GHAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)Nc1ccc2c(c1)OCO2 253408738 YSFSYCITWJIFPS-GOSISDBHSA-N 388.470 3.596 0 40 GHAB COc1ccc(-n2ncc3c(Nc4ccc(OC)c(OC)c4)ncnc32)cc1 756753 DWFKVYWSRMPZRL-UHFFFAOYSA-N 377.404 3.585 0 40 GHAB CCc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc1 1072202 QYYONUIDNCXHFH-UHFFFAOYSA-N 378.925 3.722 0 40 GHAB Cc1cc(Cl)cc2sc(NC(=O)c3cccc(S(C)(=O)=O)c3)nc12 4517969 WSSYOLJJUUKYMC-UHFFFAOYSA-N 380.878 3.914 0 40 GHAB Cc1nnc2ccc(-c3cccc(NS(=O)(=O)c4ccccc4Cl)c3)nn12 5150927 RTSOJBUTJHIPTP-UHFFFAOYSA-N 399.863 3.554 0 40 GHAB Cc1ccc(NC(=O)Cn2nc(-c3cccs3)c3sc(C)nc3c2=O)cc1 8955978 MAAFBXQSLRIIND-UHFFFAOYSA-N 396.497 3.837 0 40 GHAB COc1cccc2cc(-c3nnc(NC(=O)c4ccc5c(c4)OCCO5)o3)oc12 9167079 GYNRGVGIOKJTDI-UHFFFAOYSA-N 393.355 3.515 0 40 GHAB CNC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1 44088108 MZTICTJMTLLYON-UHFFFAOYSA-N 389.427 3.979 0 40 GHAB O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575613128 PCKFPAJTNKAXLJ-LJQANCHMSA-N 393.874 3.942 0 40 GHAB O=C(NCCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 10110285 UPJWUVCFEMTCKZ-UHFFFAOYSA-N 394.496 3.850 0 40 GHAB CCCCOc1ccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1 12614294 PSUHXKDNVGBAOK-JXAWBTAJSA-N 377.469 3.545 0 40 GHAB O=C(Nc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1)[C@H]1CCCO1 24426410 VOSSXAVLQYTSHX-JOCHJYFZSA-N 392.499 3.899 0 40 GHAB CSc1sc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)nc1C 101663362 JBYKERCAILQFQH-UHFFFAOYSA-N 390.317 3.849 0 40 GHAB COc1cccc([C@H](CNC(=O)c2cc(Cl)c(Cl)n2C)N2CCCC2)c1 30671603 VDUDIXXQTMMYIU-KRWDZBQOSA-N 396.318 3.907 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)c1 32095172 CBSZMJKLFIUSSK-UHFFFAOYSA-N 391.383 3.865 0 40 GHAB CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1 32466130 ZDFAONGFJOFBQY-KPKJPENVSA-N 376.460 3.872 0 40 GHAB Cc1ccccc1[C@@H](CC(=O)N1CCC(CCc2ccccc2)CC1)NC(N)=O 32470543 HSILPFZOHKHLSS-JOCHJYFZSA-N 393.531 3.966 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 8649471 CACSSYHJYKGKIQ-AWEZNQCLSA-N 393.443 3.629 0 40 GHAB CCc1cccc2c(C(=O)COC(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c12 2662012 GBOZTKILEJELSC-UHFFFAOYSA-N 397.427 3.796 0 40 GHAB COc1ccc(OCC(=O)Nc2noc(-c3cccc4ccccc34)n2)cc1 32624304 JHZQMOKWCSAFQX-UHFFFAOYSA-N 375.384 3.916 0 40 GHAB COc1cccc(C(=O)NCCCC(=O)Nc2ccc(Br)cc2)c1 41157359 ZBGINCDMYASTMI-UHFFFAOYSA-N 391.265 3.606 0 40 GHAB Cc1ccc(C)c(OC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 102550022 IDKYBZMYPHBREK-SNHGZMDHSA-N 387.435 3.834 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 6560929 GTVWMQXHQHCCBZ-UHFFFAOYSA-N 390.505 3.757 0 40 GHAB Cc1nnc(S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C(=O)O)o1 7603720 VMZMFTYCSZKWMQ-NVNXTCNLSA-N 386.385 3.862 0 40 GHAB Cn1cc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc21 7702232 UCGQHZCVQHHIFE-UHFFFAOYSA-N 390.483 3.816 0 40 GHAB O=C(OCCOc1cccc(Cl)c1)c1ccc(S(=O)(=O)C(F)F)cc1 7779231 MGAHQXUIYNKMPF-UHFFFAOYSA-N 390.791 3.572 0 40 GHAB CCOc1cc(C=O)c(Br)cc1OCC(=O)Nc1ccccc1 2767746 IKFHCJTVOGVYSR-UHFFFAOYSA-N 378.222 3.678 0 40 GHAB COc1ccc(-c2nsc(NC(=O)COc3ccc(Cl)cc3)n2)cc1 12111376 WDQPRSORDKILPS-UHFFFAOYSA-N 375.837 3.885 0 40 GHAB COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1OC 803123 SMSJEYKCKFKCJJ-CABCVRRESA-N 385.855 3.677 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)c1 57785731 NIYXPOISSIZUHU-UHFFFAOYSA-N 385.470 3.631 0 40 GHAB CCNc1nnc(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)s1 54155889 UWHHSYAYNIZCCD-UHFFFAOYSA-N 398.362 3.843 0 40 GHAB Cc1nc(-c2cccs2)sc1C(=O)N1CCN(Cc2ccncc2)CC1 23881922 NGJKVXDUTSVHCO-UHFFFAOYSA-N 384.530 3.533 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OC 1241071 SHSLDETXCHJWBW-IBGZPJMESA-N 397.500 3.525 0 40 GHAB CCCn1cc(C(=O)Nc2ccc(-n3cnc(Cl)c3Cl)nc2)c(C)n1 61720071 TYDLVIOTPHHSGW-UHFFFAOYSA-N 379.251 3.741 0 40 GHAB COc1ccc2ccc(OC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2c1 55557211 YSGIOIVARKTCQH-UHFFFAOYSA-N 377.396 3.718 0 40 GHAB CCCN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 21027761 AUMULQHKTZXAEQ-UHFFFAOYSA-N 384.860 3.519 0 40 GHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCn1c(=O)oc2ccccc21 55735888 DBTVTONKPWQVDS-CQSZACIVSA-N 375.428 3.612 0 40 GHAB O=C(CCNC(=O)c1ccco1)Nc1c(-c2ccc(F)cc2)nc2sccn12 12549854 ZUNQMULRVSZAQA-UHFFFAOYSA-N 398.419 3.554 0 40 GHAB O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1cccs1 57328268 VSEAKOBTRAYOQO-UHFFFAOYSA-N 394.481 3.756 0 40 GHAB c1ccc2oc(CCCSc3nnc(NC[C@@H]4CCCO4)s3)nc2c1 58016474 QYWCMWBBCHVGGH-LBPRGKRZSA-N 376.507 3.995 0 40 GHAB Cn1ccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)n1 58068328 QCBCFCNZRJNFHI-UHFFFAOYSA-N 389.278 3.981 0 40 GHAB CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cc1 10329736 OXEQQWWPUCIGMP-UHFFFAOYSA-N 396.459 3.667 0 40 GHAB CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cn2ccccc2n1 58248749 YHWQWLOZJNBUOK-UHFFFAOYSA-N 377.423 3.568 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 12607286 IGJOZIUOPNLLRX-UHFFFAOYSA-N 390.480 3.619 0 40 GHAB CS(=O)(=O)Nc1cccc(CNC(=O)CCc2ccc(-c3ccccc3)o2)c1 10548454 YMRSHUDOPTWZBB-UHFFFAOYSA-N 398.484 3.567 0 40 GHAB Cc1csc(CCNC(=O)CCCOc2ccccc2Br)n1 48123367 MELUVARAUBMJAS-UHFFFAOYSA-N 383.311 3.732 0 40 GHAB CN(CCCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)OC(C)(C)C 36398194 YOPLGEJTYJEMEZ-UHFFFAOYSA-N 384.542 3.519 0 40 GHAB COCc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)nnn1-c1ccccc1 36636041 LMXAFBBFEISBTO-UHFFFAOYSA-N 377.231 3.973 0 40 GHAB CN(CN1CCC[C@@H](C(F)(F)F)C1)S(=O)(=O)c1ccc2ccccc2c1 12894248 BRGIVINOTMHKFF-MRXNPFEDSA-N 386.439 3.692 0 40 GHAB COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(Cl)c1OC 3454084 VSFUVYBCBYAQFL-UHFFFAOYSA-N 388.895 3.752 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 3532851 XANNVEAYCWYUAC-QGZVFWFLSA-N 396.871 3.661 0 40 GHAB Cc1ccc(NC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1 12933969 GQCATDYTHTUAHO-UHFFFAOYSA-N 386.498 3.703 0 40 GHAB CNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)c1 12932968 PHHBCSXAJCOZFJ-FQEVSTJZSA-N 388.533 3.845 0 40 GHAB Cc1ccc(CN(C)C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12989947 UPNYCAKOCGNAKE-OAQYLSRUSA-N 394.515 3.952 0 40 GHAB COc1ccc(Nc2nc(CCN3C(=O)c4ccccc4C3=O)cs2)cc1 3855960 QSDFIGUETRXILW-UHFFFAOYSA-N 379.441 3.734 0 40 GHAB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1cccc(F)c1 8748143 LYAXDGYUEYHTIT-HNNXBMFYSA-N 397.427 3.658 0 40 GHAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 8705739 IGBYALFDWPDOFK-UHFFFAOYSA-N 387.436 3.559 0 40 GHAB Sc1nnc(-c2cccc(Br)c2)n1Cc1ccc2c(c1)OCO2 13689233 RVQATUMLBGKUKE-UHFFFAOYSA-N 390.262 3.773 0 40 GHAB CC(C)OC(=O)[C@H](C)n1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 5009923 YHQWNCWGQXMLFV-NWDGAFQWSA-N 377.510 3.517 0 40 GHAB CCOC(=O)c1c(C)oc2ncn(CC(=O)c3ccc4ccccc4c3)c(=O)c12 8980759 BWTINZXABJCLLC-UHFFFAOYSA-N 390.395 3.511 0 40 GHAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1cccc(Br)c1)C(=O)C2 5249319 HCGSDWMMJYKWLJ-ZBEGNZNMSA-N 386.311 3.586 0 40 GHAB CCc1cc(=O)oc2cc(Oc3ccc4nnc(C(F)(F)F)n4n3)ccc12 14213061 MEZRKURGUXPDMK-UHFFFAOYSA-N 376.294 3.604 0 40 GHAB CCCCc1c(C)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O 9095249 LLPLNKVPTJEMLO-UHFFFAOYSA-N 394.441 3.766 0 40 GHAB O=C(COc1ccccc1)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 4741139 DCWZHLROBYHCBI-UHFFFAOYSA-N 389.407 3.706 0 40 GHAB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccc2ccccc12 20637662 ZAFOCJUYJMKFGN-VQTJNVASSA-N 385.423 3.910 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(F)cc1)S2 6812143 OCQGAQPDAUMAMR-ROUUACIJSA-N 397.479 3.768 0 40 GHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccc(F)cc1 20108575 NFEAFOCTEFNXPR-UHFFFAOYSA-N 398.459 3.584 0 40 GHAB CCCc1cc(=O)[nH]c(SCC(=O)NC(c2ccccc2)c2ccccc2)n1 6995387 GONCGHSIRKVLRK-UHFFFAOYSA-N 393.512 3.720 0 40 GHAB Cc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 9237890 XOQYIEMKVYYXSA-JKSUJKDBSA-N 385.880 3.638 0 40 GHAB CCN([C@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1Cl 7218982 AWWQABGZCIFWCE-CQSZACIVSA-N 380.897 3.686 0 40 GHAB Clc1cccc(CNCCSc2nnnn2-c2ccccc2)c1Cl 7540299 NRORYZBGSFFAQM-UHFFFAOYSA-N 380.304 3.851 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 16005162 ZIVOQAVTYFHBIY-UHFFFAOYSA-N 375.780 3.597 0 40 GHAB Cc1cc(C)cc(-n2nnnc2SCC(=O)N2CCC[C@H]3CCCC[C@H]32)c1 7714336 JJZPAVWVXWWRPK-SJLPKXTDSA-N 385.537 3.552 0 40 GHAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(OC)cc4)c3)nn12 8071421 PPFGGZUFFKDRMS-UHFFFAOYSA-N 379.445 3.676 0 40 GHAB O=c1c(Br)c(Br)cnn1-c1ccc(F)c(Cl)c1 62709306 ZNUFTYAFHHDQKV-UHFFFAOYSA-N 382.414 3.550 0 40 GHAB Cc1ccc(-c2nc(C[S@@](=O)CC(=O)NCc3cccs3)cs2)cc1 71801251 BXQLLSKXRQRGGQ-VWLOTQADSA-N 390.555 3.745 0 40 GHAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc(OC)c1OC 72405035 UJSAMADFKLTDCV-AWEZNQCLSA-N 383.404 3.674 0 40 GHAB CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)O)cc1 95424905 CYQHLXKIAIQEGB-CSODHUTKSA-N 397.471 3.554 0 40 GHAB CCN1C[C@@H](C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)CC1=O 95959119 DPEJBSOTWDSLKU-HNNXBMFYSA-N 375.428 3.834 0 40 GHAB CCOc1ccccc1C(=O)N1CCC(N[C@@H](COC)Cc2ccccc2)CC1 95967487 VCJPGQUNUHNMCB-OAQYLSRUSA-N 396.531 3.537 0 40 GHAB O=C(c1cccc2[nH]cnc12)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 95972348 XHXIHOSLEVDCNL-UHFFFAOYSA-N 388.393 3.540 0 40 GHAB CC(C)[C@H](OC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)N1CCOCC1 89775829 ZBYSXOAYXRMLFX-INIZCTEOSA-N 399.274 3.515 0 40 GHAB CC(C)(C)c1noc(-c2cccnc2-n2cnc(C(=O)NC3CCCCC3)c2)n1 65250823 NCCLUYZACLSDIT-UHFFFAOYSA-N 394.479 3.677 0 40 GHAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cnn(C)c3C)c12 36616271 YNSANLJYQSYIFG-UHFFFAOYSA-N 386.459 3.901 0 40 GHAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O 409319479 GXSCIXAWNBADED-MHWRWJLKSA-N 386.404 3.509 0 40 GHAB Cc1ccc2cc(CNc3ccc(N4CCN(C)CC4)cc3)c(=O)[nH]c2c1C 72396115 RXIDHIIIGHMQFR-UHFFFAOYSA-N 376.504 3.509 0 40 GHAB Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4coc(C)n4)C3)n2)c1 72363273 BXAFLGRCJJBPJT-MRXNPFEDSA-N 378.432 3.894 0 40 GHAB CC(C)[C@@H](Sc1nnc(N)s1)C(=O)Nc1ccccc1C(F)(F)F 32322520 OYYYJUWOULDGGZ-SNVBAGLBSA-N 376.429 3.895 0 40 GHAB O=C(Cc1ccccn1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 72358858 QDSNVHUZUKPHMJ-QGZVFWFLSA-N 376.435 3.626 0 40 GHAB COc1ccc(NC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 32611412 NARLVARDVROJRQ-UHFFFAOYSA-N 377.847 3.837 0 40 GHAB COc1ccccc1-n1ccn2c(SCc3cccc(Cl)c3)nnc2c1=O 64593050 JMBYXOWHVXZGHN-UHFFFAOYSA-N 398.875 3.835 0 40 GHAB COc1ccc(NC(=O)N2CC3(CCCC3)[C@@H]2C(C)C)c(S(C)(=O)=O)c1 562626244 OOKUTGIAZYSQMA-KRWDZBQOSA-N 380.510 3.531 0 40 GHAB CCCCNC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1Cl 224072090 GOBBJGCDROOIAD-UHFFFAOYSA-N 396.896 3.679 0 40 GHAB COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2cccc3c2CCCC3)CC1 225824916 CENBPNSPVRORIW-SFHVURJKSA-N 394.515 3.690 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 223043818 RDSNDQMYFKOBCL-OAQYLSRUSA-N 382.504 3.544 0 40 GHAB CCOC(=O)Cc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 225873009 YQNLOBFPOIGXFV-UHFFFAOYSA-N 397.406 3.553 0 40 GHAB COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1 40140235 VVKAHTADMCYJDG-UHFFFAOYSA-N 399.397 3.909 0 40 GHAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 223442639 UFZMOLUWNKBEFD-WOJBJXKFSA-N 378.501 3.601 0 40 GHAB CC[C@H](C(=O)N1CC(c2nc(Cc3ccccc3OC)no2)C1)c1ccccc1 77191299 BHBLXLJZFHRUBG-IBGZPJMESA-N 391.471 3.789 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCCc2ccco2)c1 223946217 JXBYGZUSFGQJLO-UHFFFAOYSA-N 398.484 3.751 0 40 GHAB O=C(NCCc1ccccc1)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 199407415 HHHCYMSCKIHLLQ-DEOSSOPVSA-N 386.495 3.678 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)NCCc2cccc(Cl)c2)c1 48303411 ZNFKHDFYHLOYND-UHFFFAOYSA-N 387.288 3.761 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@](O)(c1ccco1)c1cccs1 225589669 KAXMBPWGBRAFLH-QGZVFWFLSA-N 397.905 3.517 0 40 GHAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccc(F)cc1 225739166 DACPSCCUHNLTSC-UHFFFAOYSA-N 375.197 3.542 0 40 GHAB CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1 143871607 NEAJPGSFDYOXKS-SFTDATJTSA-N 382.504 3.669 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)C3CCC3)CC2)Oc2ccccc21 96243096 KNKYFVSBYTUGJL-SFHVURJKSA-N 384.520 3.629 0 40 GHAB COc1ccc(-c2cc(N3CCC(NC(=O)c4ccsc4)CC3)[nH]n2)cc1 98212779 GCFOUEBXWBANGY-UHFFFAOYSA-N 382.489 3.546 0 40 GHAB Cc1cccnc1C(=O)N1CCC[C@@H]1CCc1cncc(-c2c(C)noc2C)n1 257340460 ZGFWJCIXCLIDIQ-GOSISDBHSA-N 391.475 3.689 0 40 GHAB COC(=O)CC[C@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1ccccc1 609266886 IRKOLADUYPKOBU-IBGZPJMESA-N 390.443 3.645 0 40 GHAB CC(C)OCc1ccccc1CNS(=O)(=O)c1ncccc1C(F)(F)F 645458556 WTINOKLLQHQWQV-UHFFFAOYSA-N 388.411 3.504 0 40 GHAB C[C@H](NC(=O)N[C@]1(c2ccccc2)CC1(C)C)c1ncc(Br)cn1 664955761 NOEGXYJXNSPBET-SGTLLEGYSA-N 389.297 3.925 0 40 GHAB CN(C)[C@H](CNC(=O)NCc1cccc2ccccc12)c1ccc2c(c1)CCO2 90607317 RZJYQEFFKLZMCU-JOCHJYFZSA-N 389.499 3.877 0 40 GHAB C[C@H](NC(=O)[C@@H](C)OC(=O)c1csc(-c2ccccn2)n1)c1ccccc1 58191558 XLRCGXQJJGXYCW-UONOGXRCSA-N 381.457 3.628 0 40 GHAB O=C1N[C@@]2(COC3(CCN(Cc4cccc(Cl)c4)CC3)C2)Nc2ccccc21 72325406 KDDOMCISSWTDKG-QFIPXVFZSA-N 397.906 3.647 0 40 GHAB O=C(COc1ccccc1Cl)Nc1ccc(I)cc1 3514934 GVXGOGYRIXFCNH-UHFFFAOYSA-N 387.604 3.962 0 40 GHAB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(CC)cc3)ccc21 11613020 UTCXDKGTHRILKD-UHFFFAOYSA-N 393.531 3.709 0 40 GHAB CCOC(=O)C1CCN(C(=O)Cn2c(-c3cccs3)cc3cccnc32)CC1 12148102 LMJYGKSCLILCEA-UHFFFAOYSA-N 397.500 3.567 0 40 GHAB O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccccc1F 12900037 PYGOLVRIOPEYCF-UHFFFAOYSA-N 376.840 3.740 0 40 GHAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1 13267651 OPUPURIIXWIHRN-UHFFFAOYSA-N 395.409 3.632 0 40 GHAB Cc1ccccc1CC(=O)N1CCC(c2nnc(-c3scnc3C)o2)CC1 19237043 SWDUVWAFRKWCIN-UHFFFAOYSA-N 382.489 3.759 0 40 GHAB O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)no1 19334046 GZSYVDCWMNDNQN-GOSISDBHSA-N 394.450 3.518 0 40 GHAB CC[C@H](NC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)c1ccc(OC)cc1 19500498 XXLCKJLEOYKHBN-HNNXBMFYSA-N 397.500 3.602 0 40 GHAB COCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 19694473 YMDVUEGMRPLCBJ-QGZVFWFLSA-N 388.899 3.563 0 40 GHAB NC(=O)c1cn(C(=O)c2cc(Br)ccc2Cl)c2ccccc12 226366895 PMCGLFANNWNUAZ-UHFFFAOYSA-N 377.625 3.845 0 40 GHAB CC(=O)N1CCCCCCCN(C(=O)CCn2ccnc2)Cc2ccccc21 643553231 DTDFWWGHWKZYDU-UHFFFAOYSA-N 382.508 3.619 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)Cn3nc(C)c(C)c3C)[C@H]3CCCC[C@H]32)cc1 12366625 UIAMEQAMHBNZPP-VAPSRWTKSA-N 381.520 3.906 0 40 GHAB CCn1c(SCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)nc2ccccc21 4289624 VHWICXXQEUDPIH-UHFFFAOYSA-N 397.456 3.718 0 40 GHAB Cc1ccc(OCC2(O)CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1C 2037916108 OJNRSFGIQSJNEZ-UHFFFAOYSA-N 378.472 3.831 0 40 GHAB CC[C@@H](C)Sc1nc2c(c(=O)n1-c1ccc(OC)c(OC)c1)SCC2 4358948 MAEOUVWANBGMGX-LLVKDONJSA-N 378.519 3.789 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)n2)cc1 4496405 PSEGDGWAMWOJRP-UHFFFAOYSA-N 390.461 3.670 0 40 GHAB CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccccc3F)ccc21 8840894 QJIDOIBZFYQWTO-UHFFFAOYSA-N 390.480 3.703 0 40 GHAB O=C(CSc1nnc(NC(=O)Nc2ccccc2)s1)NCc1ccccc1 9744120 PAXGHHSCMZIEBC-UHFFFAOYSA-N 399.501 3.591 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N(CCn1cccn1)c1nc2ccccc2s1 23144706 VNDXEWFGRDUWHG-UHFFFAOYSA-N 392.440 3.569 0 40 GHAB CCc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1 30999796 NGJVAVSETVCAMI-LJQANCHMSA-N 390.487 3.661 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1F 40485075 SIMFEXGJXRUNGO-IBGZPJMESA-N 393.422 3.744 0 40 GHAB Cn1cc(C(=O)NCCNC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 32074376 QYKXMTVPZPAINF-UHFFFAOYSA-N 390.270 3.645 0 40 GHAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2cccc(OC)c2)cc1 20744893 YZPOWLVHARBISS-SFHVURJKSA-N 392.415 3.739 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3F)n2C)c1 32579536 CYFVBGTVZJVYBU-UHFFFAOYSA-N 386.452 3.669 0 40 GHAB COc1cc(C(=O)OCC(=O)c2c[nH]c3ccccc23)ccc1OC(F)F 4389653 JIGSUVUWPKPCHW-UHFFFAOYSA-N 375.327 3.818 0 40 GHAB CC(=O)Nc1ccc(Nc2ncnc3c2nnn3Cc2ccccc2Cl)cc1 4922190 IXHQOKGGCXYCFI-UHFFFAOYSA-N 393.838 3.625 0 40 GHAB CCOc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccc(OC)c(OC)c2)no1 4998135 BUEFYEGVDLIHRY-CYBMUJFWSA-N 397.431 3.644 0 40 GHAB CCc1ccc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 6225174 DLXSIBMWBUQZAM-UHFFFAOYSA-N 398.462 3.927 0 40 GHAB COc1ccc(-c2n/c(=N\C(=O)c3ccco3)sn2-c2ccccc2)cc1 102962652 HTHNGQIHJWTVJC-LSDHQDQOSA-N 377.425 3.944 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)cc1Cl 8412802 DLAYHFGDAQPSNZ-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(OC)cc1 8517760 IKEJBTSWQQJIFQ-INIZCTEOSA-N 384.295 3.887 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)o1 53642900 RXMQDYMXXZLCCM-APWZRJJASA-N 393.487 3.778 0 40 GHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cn2cncn2)cc1 23176066 DKXKUINYPADPQO-UHFFFAOYSA-N 391.406 3.692 0 40 GHAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3nnc(C4CCC4)s3)ccc12 61721127 VWXIJVUWVJFEAQ-UHFFFAOYSA-N 399.472 3.882 0 40 GHAB CN(c1ccc(-c2csc(NC(=O)C[C@@H]3C=CCC3)n2)cc1)S(C)(=O)=O 25046192 IKXYSZBTEHKIIE-CYBMUJFWSA-N 391.518 3.501 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)c1cc(C)ccc1C)N(c1ccccc1)S(C)(=O)=O 113945776 QZZQCRZFELWMBJ-FXAWDEMLSA-N 388.533 3.725 0 40 GHAB COC(=O)c1nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c(C)c1Cl 48275782 JPCWOCOGFMAPTO-UHFFFAOYSA-N 375.778 3.740 0 40 GHAB CSc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)N1CCC(C)CC1 26118076 DWGAOSLBKYHQGD-UHFFFAOYSA-N 396.578 3.502 0 40 GHAB CCOC(=O)c1sc2[nH]c([C@H](C)NC3CCCCCC3)nc(=O)c2c1C 58158068 QDPZHAJCOKJCDF-LBPRGKRZSA-N 377.510 3.843 0 40 GHAB COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N[C@H](C)c2ccccc2)C1 44803474 WVMLDCJOIMGYNG-SJLPKXTDSA-N 390.487 3.732 0 40 GHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)NC1CCN(CC2CCCCC2)CC1 58378550 DOFLJPZCJFMUKZ-OAQYLSRUSA-N 398.595 3.857 0 40 GHAB CCc1ccc([C@@H](CNC(=O)c2cc3cnn(C(C)C)c3nc2C)N(C)C)cc1 45520603 JBZSEGDNEPWJTK-OAQYLSRUSA-N 393.535 3.916 0 40 GHAB COc1cccc(CC(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)c1 12776840 XTGGFINALFLSBF-UHFFFAOYSA-N 396.468 3.961 0 40 GHAB CCn1c(=O)c2ccccc2n2c(COc3cccc(Cl)c3Cl)nnc12 29277561 NOHPMCJILQRBAA-UHFFFAOYSA-N 389.242 3.950 0 40 GHAB CC(=O)N(c1nnc(SCc2nc3cc(Cl)ccc3n2C)s1)C1CC1 48355611 WIFKEIFRVMYTMK-UHFFFAOYSA-N 393.925 3.886 0 40 GHAB Cc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 84235442 VCDXCPSZVDAHRL-YWZLYKJASA-N 384.426 3.990 0 40 GHAB COc1ccc2oc(C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)c(C)c2c1 12906085 QDIQMHMULKUNJQ-FQEVSTJZSA-N 394.471 3.553 0 40 GHAB Cc1c(C(=O)N2CC=C(c3ccccc3)CC2)sc2nc3n(c(=O)c12)CCC3 12993864 BRGLAFBOGFPQJE-UHFFFAOYSA-N 391.496 3.642 0 40 GHAB COC(=O)c1ccc2nc(NC(=O)CSc3nc4ccccc4[nH]3)sc2c1 3667196 GFJPDUMPOMYPCX-UHFFFAOYSA-N 398.469 3.690 0 40 GHAB Cn1c(SCc2ccc(Br)cc2)nnc(-c2ccccc2)c1=O 28536616 XDQRPGRLINWLPQ-UHFFFAOYSA-N 388.290 3.897 0 40 GHAB C1=NN2C(=NC3=C([C@H](c4ccccc4)Oc4ccccc43)[C@H]2c2cccnc2)N1 13213603 RBLHCPMTICONNZ-YADHBBJMSA-N 379.423 3.886 0 40 GHAB O=C(c1ccc(Cl)cc1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 5100917 DCNASUKDINPVJM-QGZVFWFLSA-N 398.311 3.823 0 40 GHAB C[C@H](Sc1nc2cccc3cccc([nH]1)c32)C(=O)Nc1ccc(C(N)=O)cc1 5197014 DQOKYOWOACAGAQ-LBPRGKRZSA-N 390.468 3.934 0 40 GHAB COC(=O)c1cccc(CN2C(=O)S/C(=C\c3ccc(OC)cc3)C2=O)c1 4302058 XPCARGRTCWYFFB-BOPFTXTBSA-N 383.425 3.718 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1 65531763 QOFCXWSCTPUIJA-HUUCEWRRSA-N 387.455 3.874 0 40 GHAB Cn1c(SCC(=O)Nc2ccccn2)nnc1-c1ccc(Cl)cc1Cl 409163447 RREVDBBMRATZFD-UHFFFAOYSA-N 394.287 3.915 0 40 GHAB COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2C)cc1 4777312 XQWJKFAHRGDGGA-UHFFFAOYSA-N 399.454 3.958 0 40 GHAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc(CN2CCOCC2)c1 110601591 RLSKQWNFPGMQJH-UHFFFAOYSA-N 387.483 3.757 0 40 GHAB CSc1ncccc1C(=O)OCC(=O)Nc1nc(C)c(Cl)cc1Cl 6902088 PPIZYYOPAKIUKP-UHFFFAOYSA-N 386.260 3.609 0 40 GHAB CCc1ccc(N/C=C(\C(=O)OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 67340313 CHLIDSLGOWNQLG-SFQUDFHCSA-N 379.865 3.803 0 40 GHAB COc1ccc(NC(=O)c2cnc(N(Cc3ccccc3)C(C)C)nc2N)cc1 67336524 CQLZDNLDRQOIRO-UHFFFAOYSA-N 391.475 3.735 0 40 GHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)Cc1ccc(C(F)(F)F)cc1 7266975 XGPGQZGNKGMDGE-LBPRGKRZSA-N 380.366 3.893 0 40 GHAB C[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl 7407762 LCMDOFQHCFWCPP-QWRGUYRKSA-N 391.254 3.855 0 40 GHAB Cc1ccc(C)c(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)c1 71327321 FJSLHBJLZNWLHJ-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccco2)cc1 8172512 RQIFWVIXELJATN-HNNXBMFYSA-N 384.457 3.880 0 40 GHAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(OCc2cscn2)cc1 8193083 UWJCTUKSLCFBGA-IBGZPJMESA-N 393.512 3.726 0 40 GHAB CCCNC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1CC(C)C)CCC3 16835392 AFJPGSNQGZRULE-GFCCVEGCSA-N 393.578 3.610 0 40 GHAB CC(C)[C@@H]1C[C@](CC(=O)N2CCOCC2)(Cc2ccccc2Cl)CCO1 9547937 MPWFRYDAKBWWJY-PZJWPPBQSA-N 379.928 3.953 0 40 GHAB CC(C)(C)[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1cccc(F)c1 95408095 NUUZPQRNHSGBRG-OAQYLSRUSA-N 384.451 3.845 0 40 GHAB CC(C)Oc1ccc(N2C[C@@H](C(=O)NCc3cccc(Cl)c3)CC2=O)cc1 408709084 XFIOZAJJKBHJBI-INIZCTEOSA-N 386.879 3.797 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)NCCc3nc4c(s3)CCCC4)c2C)no1 89578070 JIUIDRAYCYPYKP-UHFFFAOYSA-N 384.505 3.698 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C(=O)[C@@H]2C1 408676036 CPDMQLHHJRTHAR-RBUKOAKNSA-N 378.403 3.924 0 40 GHAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccccc1O 408561395 IVAVHDBPZVVLSV-UHFFFAOYSA-N 384.819 3.915 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1C(F)(F)F 500604297 DULHGYLAMVVHBB-SFHVURJKSA-N 398.450 3.691 0 40 GHAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(NC(=O)C(C)C)c1 408624269 BWZARIVRFREPAG-UHFFFAOYSA-N 385.489 3.725 0 40 GHAB COc1ccccc1/C=C1/NC(=O)N(Cc2ccc(Br)cc2)C1=O 408930556 YPLVJICXHBEYIB-XNTDXEJSSA-N 387.233 3.551 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H](c3nccnc3Oc3cccc(F)c3)C2)cn1 72362497 OQYLEQPRMTVTOG-HNNXBMFYSA-N 393.422 3.526 0 40 GHAB O=C(CCSc1nnc2sc3ccccc3n12)NCc1ccc(F)cc1 536300742 SOOXTEPUGPLQGO-UHFFFAOYSA-N 386.477 3.882 0 40 GHAB COc1ccc(Oc2cncc([C@H]3CCCN3C(=O)c3cscn3)n2)cc1 72384085 VUBIKCNCYAGBOV-QGZVFWFLSA-N 382.445 3.711 0 40 GHAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1 72377129 XAPDGZMSTAFINE-MRXNPFEDSA-N 379.489 3.858 0 40 GHAB Cc1cccc(Oc2nccnc2C2CCN(C(=O)c3cn(C)nc3C)CC2)c1 72362598 JYKRPXKMSZDMHB-UHFFFAOYSA-N 391.475 3.639 0 40 GHAB Cc1csc(C(=O)Nc2ccc(N3CCCN(C(=O)C4CC4)CC3)cc2)c1 42382834 VUCYPAJGJVVMJW-UHFFFAOYSA-N 383.517 3.758 0 40 GHAB COC(=O)c1c(NCc2ccccc2C(F)(F)F)c2ccccc2[nH]c1=O 49001577 YMGDTPAFPWDGPH-UHFFFAOYSA-N 376.334 3.946 0 40 GHAB Fc1ccccc1-c1nnc([C@H]2CCN(c3nccc(C(F)(F)F)n3)C2)o1 49171347 GQFKXZRQXLIBPP-JTQLQIEISA-N 379.317 3.678 0 40 GHAB biogenic,in-vitro COc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1C(C)C 223950378 HSRCTZIKKPUHNN-UHFFFAOYSA-N 377.506 3.793 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)Cc1cccc(Br)c1 225616486 WZQSTMAPAAMWJM-UHFFFAOYSA-N 375.266 3.770 0 40 GHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 224533080 OJVKOUQBIMXBNB-UHFFFAOYSA-N 396.468 3.677 0 40 GHAB O=C(NCC1CCNCC1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 568368500 WHGXQASHGWUBCM-UHFFFAOYSA-N 398.454 3.874 0 40 GHAB COc1cc(C(F)(F)F)nc(NC(=S)NCc2ccccc2Cl)n1 225938432 BNRTWXCXVZCDGQ-UHFFFAOYSA-N 376.791 3.644 0 40 GHAB Cc1cccc(N2CCN(CCCCNC(=O)c3cc(F)ccc3F)CC2)c1 40089592 FAOJSCPIRYQJLX-UHFFFAOYSA-N 387.474 3.605 0 40 GHAB CN(c1cc(C(=O)Nc2ccc3sncc3c2)ccc1Cl)S(C)(=O)=O 225971530 NXXCLLCEWHUPHX-UHFFFAOYSA-N 395.893 3.598 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC(NC(=O)OC(C)(C)C)CC2)c1 47539723 AULGQQFVAGBONG-INIZCTEOSA-N 375.513 3.620 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 225449354 XQJNWUDMQUDTKX-OALUTQOASA-N 396.531 3.612 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 220306365 FMFFYBGOOKTFDD-CQSZACIVSA-N 378.469 3.742 0 40 GHAB C[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc2c(c1)OCCO2 222743672 AOPIEVZXAIXTGA-GFCCVEGCSA-N 376.250 3.640 0 40 GHAB O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CC12CCN(C(=O)C1=CCCC1)CC2 19772247 MOEFDZWQFCVMEB-FQEVSTJZSA-N 390.487 3.550 0 40 GHAB COc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1C 224204692 ZIVLYXQBRUIXGM-UHFFFAOYSA-N 378.428 3.708 0 40 GHAB COCCn1cc(C(=O)NCCn2ccc3c(OC)cccc32)c2ccccc21 95480723 ZRJDKYDZMFRQAP-UHFFFAOYSA-N 391.471 3.681 0 40 GHAB C[C@]12C[C@@H]3N[C@H]1CCCC[C@H]2N(C(=O)c1ccc(O)nc1)[C@H]3Cc1ccccc1 257271230 MXKRFVPUDVVYBN-ROLQDKDTSA-N 391.515 3.534 0 40 GHAB CN1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ncccn1 257279496 OGXBUTHLEFYYDZ-NABGWTBKSA-N 390.531 3.565 0 40 GHAB O=C(CN1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257227701 FQMSQDPUDWOMMW-LJQANCHMSA-N 399.510 3.987 0 40 GHAB CN1CCCCC[C@@H]2N(C(=O)c3ccn(C)n3)[C@H](Cc3ccccc3)C[C@@]21C 257247398 IYWMVNKSONRECE-NWSQWKLXSA-N 380.536 3.510 0 40 GHAB O=C(Nc1ccc(Oc2ccnc3ccccc23)cc1)c1ccc2nn[nH]c2n1 543432318 FHMJILFUGJYRCA-UHFFFAOYSA-N 382.383 3.946 0 40 GHAB Cc1ncsc1CN1CCC2(CC1)OCC[C@H]2CCOCc1cccnc1 585103960 FCDGUGNOKUFNOA-LJQANCHMSA-N 387.549 3.825 0 40 GHAB COc1ccccc1NC(=O)Cc1noc(C[C@@]23CCCC[C@@H]2C3(F)F)n1 585091633 ADMBVFXEFGYVDX-KSSFIOAISA-N 377.391 3.627 0 40 GHAB O=c1cc(CSc2nnc(-c3cccc(Cl)c3)o2)nc2sccn12 5170445 KPSNSQLCTLFOQR-UHFFFAOYSA-N 376.850 3.752 0 40 GHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)c4csc(C)c4)nn3cn2)cc1 12085186 YOIRZFDSBNFLQF-ZDUSSCGKSA-N 393.472 3.661 0 40 GHAB CCc1c(C)sc2ncn(C3CCN(C(=O)c4ccccc4F)CC3)c(=O)c12 12145450 QGPYZVLTQISXAH-UHFFFAOYSA-N 399.491 3.945 0 40 GHAB CC[C@@H]1c2ccc(C)n2CCN1C(=O)c1cc(-c2cc(OC)ccc2OC)n[nH]1 12147504 CLKMJFANVPCQOK-LJQANCHMSA-N 394.475 3.811 0 40 GHAB CCOc1ccc2[nH]c(C(=O)N[C@H](C)c3nc(-c4cccnc4)no3)c(C)c2c1 12202392 HAUOCASDQRMSLH-CYBMUJFWSA-N 391.431 3.811 0 40 GHAB CC[C@H](C(=O)Nc1ccc(C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711932 JXQRRHPFMSJVPX-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)c1cc(C(C)(C)C)n[nH]1)Cc1ccccc1O2 19083700 YYIZSSFFRNVVNM-UHFFFAOYSA-N 396.535 3.643 0 40 GHAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1cnc(C(C)C)nc1 19454120 BGFPKHMCSOKLRN-YPAWHYETSA-N 396.510 3.718 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)NCCC1=CCCCC1 3550284 RJSUXDMDZPWEGF-UHFFFAOYSA-N 393.516 3.914 0 40 GHAB Cc1cnccc1OCC1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1 1889224533 FKLPUWWTDYMMAD-UHFFFAOYSA-N 377.488 3.742 0 40 GHAB Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)Nc3ccccc3)c2n1 8583880 IPEKLNUVWJMGLG-UHFFFAOYSA-N 397.434 3.575 0 40 GHAB Cc1nnc(NC(=O)[C@H]2CCCc3sc(NC(=O)c4ccccc4)nc32)s1 9072358 RQVDHSZJZCFWCK-LBPRGKRZSA-N 399.501 3.614 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)n1-n1cccc1)NC1CCCCC1 9737860 AGOLKTRNEYFVQV-UHFFFAOYSA-N 395.532 3.523 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2cccc(C)c2)cc1 15390764 ZGJXGLHUHIPLMQ-LJQANCHMSA-N 386.517 3.875 0 40 GHAB O=C(Cc1csc(NC(=O)NC2CCCC2)n1)NCc1ccccc1Cl 17177707 JXJSROAOKYNSJD-UHFFFAOYSA-N 392.912 3.720 0 40 GHAB O=C(Cc1cc(O)nc(SCc2cccc(Cl)c2)n1)Nc1cccnc1 23138253 ZVSSLMMICMARBW-UHFFFAOYSA-N 386.864 3.704 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)NCCc1ccc(-c2ccsc2)s1 575413980 AXNAJWUVUYPHMB-UHFFFAOYSA-N 384.482 3.743 0 40 GHAB O=C(OCc1ccccc1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 585396757 BEWLPXUYDMISPW-GOSISDBHSA-N 393.892 3.838 0 40 GHAB O[C@@H](COc1cccc2ccccc12)CN1CCN(c2ccc(F)cc2)CC1 17201194 YLBSTOOHBMKFMY-OAQYLSRUSA-N 380.463 3.541 0 40 GHAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242515 DMQNHJVKEDSJIM-HNJRGHQBSA-N 395.532 3.574 0 40 GHAB O=C(NCc1ccccc1CO)c1nn(-c2ccccc2)c2c1CCCCC2 50003997 REMWYONMBNAVCL-UHFFFAOYSA-N 375.472 3.564 0 40 GHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@H]1CCCN1C(=O)C1CCCCC1 40120190 YOIDFUMGDHHZBP-GOSISDBHSA-N 394.462 3.818 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)OCc1csc(-c2cnn(C)c2)n1 40150474 OHBCXCYDQXTTDO-UHFFFAOYSA-N 397.485 3.728 0 40 GHAB COc1ccc(-c2nc3c4c5c(sc4ncn3n2)CN(C(C)C)CC5)cc1 20267304 KMXFELWDOHUGNQ-UHFFFAOYSA-N 379.489 3.781 0 40 GHAB CSc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Oc1ccccc1Cl 31278502 BQRRZVVDOJHTPN-ZDUSSCGKSA-N 392.908 3.926 0 40 GHAB CCN(CC)C(=O)COc1ccc(NC(=O)Nc2cc(C)on2)cc1Cl 31663557 BNUWKOVUZDPEEW-UHFFFAOYSA-N 380.832 3.528 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCc1ccc(Cl)cc1Cl)C(=O)C2 100918855 VONGRVODEJPXJD-YVEFUNNKSA-N 390.332 3.808 0 40 GHAB O=S(=O)(NCCSCc1ccc(Cl)cc1)c1ccc(Cl)nc1 32444993 FQNSLLJSZTWCCD-UHFFFAOYSA-N 377.318 3.600 0 40 GHAB Cc1ccnc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c1 724297 ASPBAEXHCWDAGB-UHFFFAOYSA-N 384.686 3.933 0 40 GHAB COC(=O)[C@H](C)Sc1nnc(COc2ccccc2)n1-c1ccc(C)cc1 887627 BRATXIIJOIELKI-HNNXBMFYSA-N 383.473 3.808 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(C)nc3ccccc23)c1C 2616783 VVBOIXCHZDWCQB-UHFFFAOYSA-N 394.427 3.705 0 40 GHAB O=C(C1CC1)N(Cc1ccccc1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 1339762 LYGQAGSEYMNWBX-UHFFFAOYSA-N 393.512 3.802 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)N(C)C)cc2c1 1367138 BGPCDAQHRIQJMV-UHFFFAOYSA-N 379.460 3.611 0 40 GHAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)NC2(CCCCC2)C1=O 2640067 QVZQBOYKMPIIFI-JTQLQIEISA-N 384.263 3.575 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)c1 4355166 CYTYSUNFSYMJFF-QGZVFWFLSA-N 398.507 3.746 0 40 GHAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccccc2OC)CC1=O 6288681 QPZQAOMSYDCPFR-FUHWJXTLSA-N 380.488 3.878 0 40 GHAB CN(Cc1ccccc1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6343635 GAFZVYWMVZLUOP-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1C 7610001 BAHHXOUFTPHFDS-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)Nc1n[nH]c(-c2ccc(F)cc2)n1 8116474 OKASVIKDNZPEHF-UHFFFAOYSA-N 381.194 3.935 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)ccc2C)c(C)c1 8414426 MDGPOQDNAJPDCI-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB C[C@@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1 22436625 OYFGXGIKTPHNAL-MRXNPFEDSA-N 387.911 3.733 0 40 GHAB CCCn1ccc2cc(NC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)ccc21 58162979 HWNPPTGHZWGHQF-SFHVURJKSA-N 382.508 3.918 0 40 GHAB COc1ccc(-c2nc3s/c(=C\c4ccc(C(C)(C)C)cc4)c(=O)n3n2)cc1 955995 QAXFNZLGIKOUFY-AQTBWJFISA-N 391.496 3.672 0 40 GHAB Cc1cc(C)n(-c2cccc(-c3nn4c(C(F)(F)Cl)nnc4s3)c2)n1 61718293 ZSLOVLCGBZGBQU-UHFFFAOYSA-N 380.811 3.943 0 40 GHAB O=C(c1ccc(F)cc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 23314486 RDJVMZNTYMMHID-UHFFFAOYSA-N 395.390 3.624 0 40 GHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccccc1N1CCCCC1)C2=O 23653857 DCSMMPSNQWRKAJ-WZONZLPQSA-N 398.551 3.567 0 40 GHAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc(OC)c1O 101175233 CFBIVVPQSCMBOS-BFPICOTCSA-N 391.514 3.812 0 40 GHAB CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1 59423902 KHXDNXXMWBYUNP-UHFFFAOYSA-N 387.432 3.737 0 40 GHAB O=C(/C=C/c1cccc(F)c1)N1CCN(Cc2nc3ccccc3s2)CC1 24148728 GFQAIEGRVUMTSA-CMDGGOBGSA-N 381.476 3.793 0 40 GHAB C[C@H](SCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1nc2ccccc2[nH]1 12556576 ZXCRABPVAHLFHP-ZDUSSCGKSA-N 394.500 3.888 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccccc1F 105093399 JMKSCCMGUMTWNO-INIZCTEOSA-N 376.840 3.582 0 40 GHAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)N1CCc2ccccc21 57486586 GHUCCWIYKGYEBQ-UHFFFAOYSA-N 388.402 3.934 0 40 GHAB Cc1ccc([C@H](NC(=O)N2CCN(C)CC2)C(Cl)(Cl)Cl)cc1F 57531543 MNCYCMKREROVDB-ZDUSSCGKSA-N 382.694 3.502 0 40 GHAB CC(C)c1c(C(=O)NO[C@H]2CCCCO2)cnn1-c1ccc(C(F)(F)F)cn1 60333336 NSMHOLSCZWAEGI-HNNXBMFYSA-N 398.385 3.598 0 40 GHAB O=C(C[S@@](=O)Cc1c(Cl)cccc1Cl)N1CCc2sccc2C1 58171749 OCYUTLWSXMYYGY-HSZRJFAPSA-N 388.341 3.889 0 40 GHAB COc1ccccc1OCCC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11140262 TURUYERVZJAYJP-UHFFFAOYSA-N 388.851 3.883 0 40 GHAB C[C@@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2 12742145 MFFPNSRORCIWFN-GFCCVEGCSA-N 380.366 3.766 0 40 GHAB Cc1cccc2sc(NC(=O)CCNC(=O)c3ccc(F)cc3F)nc12 12756905 WSHOIKMPTRFTNI-UHFFFAOYSA-N 375.400 3.642 0 40 GHAB CCc1ccc([C@H](CNC(=O)c2cc3cnn(C(C)C)c3nc2C)N(C)C)cc1 45520604 JBZSEGDNEPWJTK-NRFANRHFSA-N 393.535 3.916 0 40 GHAB Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ncnn23)nn1C(C)C 36618912 PPKJIARBQYNDCQ-UHFFFAOYSA-N 395.854 3.783 0 40 GHAB COc1ccccc1C(=O)NCCC(=O)OCc1ccccc1C(F)(F)F 12792610 LNXHMQUVWBYACF-UHFFFAOYSA-N 381.350 3.577 0 40 GHAB CS(=O)(=O)N(CCCC(=O)NCCC1=CCCCC1)c1cccc(Cl)c1 8498856 YCZCTUZOTSOHPO-UHFFFAOYSA-N 398.956 3.893 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1CCCCC[C@H]1c1ccncc1 45984566 WTEDTISWJLSEOB-IBGZPJMESA-N 387.505 3.943 0 40 GHAB CC(=O)c1sc(NC(=O)c2cnn(-c3ccccc3)n2)nc1-c1ccccc1 12912725 XOTVBEFRLBWCLH-UHFFFAOYSA-N 389.440 3.846 0 40 GHAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1Cl 6285579 NIOZSOUEZCMPGQ-CQSZACIVSA-N 389.883 3.624 0 40 GHAB COc1ccc(CNc2nccn(Cc3ccc(Cl)cc3)c2=O)cc1OC 9320300 FABUQMOFDOHIIM-UHFFFAOYSA-N 385.851 3.574 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cccnc3Cl)c(Cl)cc12 6365483 VDJVHTJTLJPTDK-UHFFFAOYSA-N 379.199 3.821 0 40 GHAB O=C1OC(c2ccccc2OC(F)F)=N/C1=C\c1cnn(-c2ccccc2)c1 14176943 RIVLGRHVNAYOTD-YBEGLDIGSA-N 381.338 3.818 0 40 GHAB O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NCCC1=CCCCC1 20063149 DSJKNEFTWKBOMG-UHFFFAOYSA-N 396.512 3.869 0 40 GHAB Cc1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)C(C)(C)C)cc3C2=O)c1 4545228 HCFNOHGFQUGGAM-UHFFFAOYSA-N 379.412 3.568 0 40 GHAB CC(C)n1cnnc1SCC(=O)N[C@H](C)c1ccc(Br)cc1 5416642 RSXWDULJSHYDQT-LLVKDONJSA-N 383.315 3.591 0 40 GHAB CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 6533154 BQTMAANSUSSDOL-OAHLLOKOSA-N 399.516 3.601 0 40 GHAB O=C(Cn1cc(/C=C2/SC(=O)NC2=O)c2ccccc21)Nc1ccccc1 4688389 XABSOMJZRVAEGS-LICLKQGHSA-N 377.425 3.604 0 40 GHAB COc1cc(C)cc2oc(=O)c(CC(=O)NCCc3ccc(Cl)cc3)c(C)c12 4742703 LENFWWPTASFVLK-UHFFFAOYSA-N 399.874 3.973 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1 409314128 DUFWPCSRGAVZTD-WOJGMQOQSA-N 396.468 3.987 0 40 GHAB Cc1ccsc1C(=O)N1CC[C@@]2(C1)CN(Cc1cccnc1)c1cccnc12 306131406 KDQYTJRPWJCDKA-JOCHJYFZSA-N 390.512 3.651 0 40 GHAB CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccccc1)S2 6812286 AVATXUXWTYNTNW-MSOLQXFVSA-N 397.479 3.768 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1nnn(Cc2cccc(Cl)c2)c1N 4933879 JGMHORKUNPNJSS-UHFFFAOYSA-N 376.247 3.776 0 40 GHAB Cc1ccc(NC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)c(Cl)c1 4934164 QJKAMWLCAKURKG-UHFFFAOYSA-N 376.247 3.776 0 40 GHAB Cc1sc2nc([C@@H](C)Sc3nnc(NC4CC4)s3)[nH]c(=O)c2c1C 6973178 NVLDTCIDXHUIAA-MRVPVSSYSA-N 379.536 3.881 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(CN2CCOCC2)cc1 19312641 JVKMDAQMPNCPNK-UHFFFAOYSA-N 395.286 3.843 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1OC 22277388 VICJTOGIXQXRED-FQEVSTJZSA-N 397.496 3.966 0 40 GHAB Cc1csc([C@@](O)(CC(=O)N2CCc3sccc3[C@@H]2C)C(F)(F)F)n1 67705930 LPZKTGBUGCFXMI-BONVTDFDSA-N 390.452 3.799 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(C)ccc2OC)cc1OCC 7604994 QFTRKRVIUGICIG-UHFFFAOYSA-N 387.432 3.597 0 40 GHAB COc1ccc(-n2nc3ccc(NC(=O)c4cccc(C)c4OC)cc3n2)cc1 16362377 OYXFSPMRYXJIMW-UHFFFAOYSA-N 388.427 3.998 0 40 GHAB CCc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)cc1 9236445 QDPMKOVNETZMIV-MSOLQXFVSA-N 379.489 3.547 0 40 GHAB Cc1cc(NC(=O)CN2C(=O)CCOc3ccccc32)ccc1Br 8076767 UZJMIDSHIAKXND-UHFFFAOYSA-N 389.249 3.512 0 40 GHAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N(C)Cc3ccc4c(c3)OCO4)c2C)no1 8231993 QUKFFPNZNUOHLQ-SOFGYWHQSA-N 393.443 3.791 0 40 GHAB O=C(OC[C@@H]1CCCO1)c1ccc(COc2ccccc2Br)o1 9434603 IBGLGRIPRFZBGF-LBPRGKRZSA-N 381.222 3.957 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 9550311 FIROUCYKLGHZJX-GOSISDBHSA-N 389.411 3.557 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)Cc1csc(NC(=O)c2ccco2)n1 9819637 RRXRODCPGGPCLO-AWEZNQCLSA-N 383.473 3.668 0 40 GHAB CCN(CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)C[C@H](O)c1ccc(C)cc1 72304970 PYIYUMSDBPBNDI-LADGPHEKSA-N 398.547 3.872 0 40 GHAB NC(=O)c1cccc2c1CCCN2C(=O)CCc1ccc(OC(F)(F)F)cc1 97212262 FKNVCOGEGZYKFY-UHFFFAOYSA-N 392.377 3.596 0 40 GHAB CC(=O)Nc1cc(C(=O)O[C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1F 95468925 HDJRRJKUABLNOA-HNAYVOBHSA-N 384.451 3.852 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)c1 20105283 GINQVMFWZIHEAK-ZDUSSCGKSA-N 389.473 3.918 0 40 GHAB COCc1c(Br)cccc1NC(=O)NCC1([C@@H](C)CCO)CCC1 95987411 FBKALNOOUWRWTF-ZDUSSCGKSA-N 399.329 3.906 0 40 GHAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(C)Cc1ccc2ccccc2c1 26857197 XZIGYOCRYNLWCS-INIZCTEOSA-N 376.456 3.705 0 40 GHAB O=C(Cc1ccccc1)N1CCO[C@@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306131432 KECHJWZRUAARQA-JOCHJYFZSA-N 398.466 3.539 0 40 GHAB Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 28237930 GTXHMBRIYSNSJN-UHFFFAOYSA-N 383.761 3.589 0 40 GHAB COc1cc(OC)cc(OCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 218898113 NEWIONKYYGLMHJ-IBGZPJMESA-N 385.460 3.810 0 40 GHAB COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 72362091 IUXSUWVBAGBWAY-KRWDZBQOSA-N 390.443 3.692 0 40 GHAB Cc1ccccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 33671939 SVMHXFRSSQERMM-UHFFFAOYSA-N 394.924 3.758 0 40 GHAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccc(C(F)(F)F)cc1 70636174 PBFJUDYREQHPLK-SFHVURJKSA-N 395.402 3.871 0 40 GHAB Cc1c(C(=O)N[C@H](Cn2nc(C3CC3)ccc2=O)C(C)C)oc2ccccc12 72324211 HFSFZQQGMVQEBN-GOSISDBHSA-N 379.460 3.630 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Sc2ccc(C)cc2)c(OC)c1OC 45203008 KLAMCKCWHIHVAY-AWEZNQCLSA-N 375.490 3.818 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1cccc(C)c1 1583083576 ALLSIVMXXIGDQG-LJQANCHMSA-N 397.862 3.868 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C 224181075 RHRZVPLUNYGHBA-HXUWFJFHSA-N 382.504 3.626 0 40 GHAB CCc1ccc([C@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 225849299 VOKTYCVQPCIMAV-INIZCTEOSA-N 386.517 3.670 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 223001200 RRJDDJHAPBCHQQ-HXUWFJFHSA-N 382.504 3.544 0 40 GHAB CCCc1ccc(OCCNC(=O)CCCc2ccc3c(c2)OCCO3)cc1 224946180 FNOYBDKCZDSFAI-UHFFFAOYSA-N 383.488 3.928 0 40 GHAB O=C(O)C[C@@H]1CCN(C(=O)NC2CCCCC2)C[C@@H]1Cc1nc2ccccc2[nH]1 514289518 NBUYVEFRBRYFMP-HOTGVXAUSA-N 398.507 3.561 0 40 GHAB biogenic,in-vitro O=C(c1ccncc1)N1C[C@@H]2CN(Cc3ccc(-c4ccccc4)cc3)C[C@H]2C1 96245557 ZZHAEMLSMFOZCD-ZEQRLZLVSA-N 383.495 3.953 0 40 GHAB CC(C)CCN1[C@@]2(CCN(Cc3ccccc3)C2)c2ccccc2S1(=O)=O 96143267 HMKBRGNAVDKLCI-JOCHJYFZSA-N 384.545 3.838 0 40 GHAB CCOc1ccccc1-c1cc(C(=O)N2[C@@H]3CN[C@@H]4CCCC[C@H]2[C@]4(C)C3)[nH]n1 257259796 LABGNMYXCPNJGR-HJIBZVINSA-N 394.519 3.611 0 40 GHAB COc1coc(C(=O)Nc2nc(-c3c(C)n(C)c4ccccc34)cs2)cc1=O 604419340 BLJUNVKYHFYEBT-UHFFFAOYSA-N 395.440 3.824 0 40 GHAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(-c2nc3c4ccccc4ncn3n2)cc1 1615056149 VIMWCEKNECSRCH-IRXDYDNUSA-N 397.438 3.624 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)N[C@H](c1ccsc1)c1cccs1 390826899 QZBJCPZCIVQLBR-GOSISDBHSA-N 391.539 3.879 0 40 GHAB CC1(C)C[C@@]2(CCCN2C(=O)c2cnn3cccnc23)CN1c1ccc(F)cc1 1615117735 CAEAOQIQWQRWCE-QFIPXVFZSA-N 393.466 3.532 0 40 GHAB CCN(CC)CCCN/C=C1/C(=O)N(c2ccccc2C)C(=O)c2ccccc21 2217746 JBVLVSHUGOAURW-HEHNFIMWSA-N 391.515 3.844 0 40 GHAB COc1ccc([C@H](O)CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)cc1 12292488 JUIMGUNYGANURK-LJQANCHMSA-N 395.421 3.731 0 40 GHAB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C/C(=O)O 12357559 GZOVZELTPKDNLF-RMKNXTFCSA-N 390.233 3.873 0 40 GHAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)cc1OC 12918913 ZGJFBICAHROOCS-OAHLLOKOSA-N 396.487 3.993 0 40 GHAB CC[C@H](C(=O)N(C)Cc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711897 VVRMWZNQMRMXEC-GOSISDBHSA-N 394.924 3.543 0 40 GHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 14022819 SRFRBIUWJDUKTK-RXVVDRJESA-N 396.487 3.700 0 40 GHAB COc1cc(C(=O)N[C@@H](c2ccc(C)cc2)c2cccnc2)cc(OC)c1OC 15839684 XHCBMMLDECCPSM-NRFANRHFSA-N 392.455 3.935 0 40 GHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2C(=O)CCC2=O)cc1 18115226 VEGGHZNFLQDQKV-UHFFFAOYSA-N 376.334 3.607 0 40 GHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cc3ncccc3c(O)n2)CC1 19077996 IDEVUVPDBSIMMP-CQSZACIVSA-N 395.434 3.648 0 40 GHAB CN(CCc1ccccn1)c1ncc(-c2ccc(F)cc2)c(-c2nccn2C)n1 19291575 CPXIPQMOMYVTNI-UHFFFAOYSA-N 388.450 3.757 0 40 GHAB Cc1nn(C[C@H](C)C(=O)NCc2c(C)nn(-c3ccc(F)cc3)c2C)c(C)c1C 19556926 IWXWEEIDRRMSQK-ZDUSSCGKSA-N 397.498 3.703 0 40 GHAB Cc1nn(C[C@H](C)C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c(C)c1C 19556983 XLVZXCAXOWFKMB-KRWDZBQOSA-N 398.551 3.948 0 40 GHAB O=C(NCc1nnc(-c2ccccc2)o1)c1cc(-n2cccn2)ccc1Cl 19715188 NZEQRBYHYHZYIX-UHFFFAOYSA-N 379.807 3.506 0 40 GHAB CCc1c(C(=O)Nc2cccnc2Cl)nnn1-c1ccc(OC(F)F)cc1 19911153 RIWZXTYDDTXEPI-UHFFFAOYSA-N 393.781 3.732 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)/C=C/c1ccc2c(c1)OCCO2 5307127 XDFXFBXDAMCJGP-VQHVLOKHSA-N 377.396 3.687 0 40 GHAB Cn1nc(C2CC2)cc1N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 225570562 IGAUCUCCYJDXAR-UHFFFAOYSA-N 393.413 3.670 0 40 GHAB CC(=O)NC1(c2ccccc2F)CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 12188425 BCCJISZKEZHPHQ-FQEVSTJZSA-N 390.886 3.640 0 40 GHAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2ncc(Cl)cc2Br)C1 2087051400 QAQDEXOZWPFSCZ-GFCCVEGCSA-N 388.737 3.971 0 40 GHAB Cc1ccc(N2C(=O)N(c3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1C 4393430 LSUZKQQZEAXSQJ-ROUUACIJSA-N 390.892 3.569 0 40 GHAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCC3)cc2)cc1 5373330 IYQOVXOIWGBNSO-UHFFFAOYSA-N 388.489 3.511 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3ccc(OC(C)C)cc3)o2)cc1OC 5372501 HMDVUFRDNWZCRK-UHFFFAOYSA-N 383.404 3.793 0 40 GHAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccc2ncsc2c1 575616269 JDWHPHKZLTUPNN-UHFFFAOYSA-N 378.404 3.902 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1C 5598813 PZDWJFRUDVVZLW-UHFFFAOYSA-N 387.242 3.709 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 10464620 QXXAFAPWOPRWSG-UHFFFAOYSA-N 384.407 3.724 0 40 GHAB CN1CCN(C(=O)c2cc3c(nc4sccn43)s2)[C@@H](c2ccccc2)C1 30030428 AANVWNVCRFSJLT-OAHLLOKOSA-N 382.514 3.739 0 40 GHAB O=C(c1ccccc1)N1CCN(C(=O)c2[nH]c3ccc(F)cc3c2Cl)CC1 40144657 GLIZQZKKZNKDMA-UHFFFAOYSA-N 385.826 3.559 0 40 GHAB COc1ccc(NC(=O)N2CCN(Cc3ccsc3)CC2)cc1OC(F)F 40104546 RTOHSKZJNNDALT-UHFFFAOYSA-N 397.447 3.708 0 40 GHAB CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cc(Cl)ccc21 32091959 GJFHXHONSAJRCE-HXUWFJFHSA-N 378.819 3.780 0 40 GHAB CSc1n[nH]c(N2[C@@H](c3ccc(C)cc3)C(c3ccccc3)=C(O)[C@H]2O)n1 101353767 UIHODZHMOFGMHW-FUHWJXTLSA-N 380.473 3.684 0 40 GHAB CC1(C)C[C@@H](n2c(=O)[nH]c3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1 20723652 IFXKSYARHRZMFX-INIZCTEOSA-N 380.488 3.702 0 40 GHAB O=C1C[C@@H](N2CCc3[nH]c4ccccc4c3C2)C(=O)N1c1cccc(Cl)c1 20760083 KZFWOIOFQPGJRP-LJQANCHMSA-N 379.847 3.512 0 40 GHAB biogenic COc1cc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc(OC)c1OC 2664200 HCBGCGTTYFYBJN-UHFFFAOYSA-N 385.338 3.792 0 40 GHAB O=C(CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)NCC(F)(F)F 2629335 PQVMINWRDCGCPQ-UHFFFAOYSA-N 385.198 3.549 0 40 GHAB O=C(COc1ccc(Cl)c(Cl)c1)NCCN1CCc2ccccc2C1 29957921 KMMOCIKOVQTJBC-UHFFFAOYSA-N 379.287 3.547 0 40 GHAB CC[C@@H](C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc12 883736 XDQGYDJSOKEQKX-LLVKDONJSA-N 392.381 3.952 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1 1343621 VEWYZYXRQHNOOW-IBGZPJMESA-N 395.459 3.923 0 40 GHAB Cc1cc(C)cc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccccn2)c1 1362776 RGHURMOGUZRJRW-UHFFFAOYSA-N 395.532 3.810 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C(F)(F)F)cc1 32755836 MWMXZBRSYKWISQ-KRWDZBQOSA-N 378.394 3.776 0 40 GHAB CCc1noc(C)c1C(=O)O[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 32776242 JUXSSORNESBIIN-MRXNPFEDSA-N 384.476 3.572 0 40 GHAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccccc1F 2620504 AADPRMCIXPWHPM-UHFFFAOYSA-N 388.398 3.504 0 40 GHAB Cc1cc(C)n(CCc2nnc(Nc3ccn(Cc4ccccc4)n3)s2)n1 2731512 GLNNCOLTTDJRAI-UHFFFAOYSA-N 379.493 3.583 0 40 GHAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nc2ccccc2s1 6467833 OTZUGHTVFVUZEZ-PXRHCINRSA-N 383.517 3.956 0 40 GHAB CCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1-c1ccccc1 6510774 QAYOHYCJWDQBEH-UHFFFAOYSA-N 383.473 3.957 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1ccccc1NC(=O)CCCC(=O)O 8434590 HTXKJVVYCLIHES-UHFFFAOYSA-N 390.823 3.794 0 40 GHAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1OCC 8478832 VTTPZHNSXYSRIJ-UHFFFAOYSA-N 398.488 4.000 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810267 TWDXKGGROZXLRH-UHFFFAOYSA-N 384.860 3.762 0 40 GHAB O=C(CCS(=O)(=O)c1ccc2ccccc2c1)NC1C2CC3CC(C2)CC1C3 2809189 DWQLLPQKBRNHJV-UHFFFAOYSA-N 397.540 3.945 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(Br)c2)cc1 672549 FJELXEYZCXYZEX-UHFFFAOYSA-N 378.222 3.887 0 40 GHAB CCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1C(C)C 12409766 LVTNGBWUYJPULA-UHFFFAOYSA-N 378.494 3.876 0 40 GHAB COC(=O)c1cccc(CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)c1 9638398 VTRKIOYGZIFJNW-QHCPKHFHSA-N 388.423 3.594 0 40 GHAB CCOc1ccccc1N1C(=O)C[C@H](Nc2ccccc2Br)C1=O 101276213 RNCSSZNQDJPEHC-AWEZNQCLSA-N 389.249 3.592 0 40 GHAB Cc1cccc2nc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cn12 12550860 MDMXZIVOYHHIJN-UHFFFAOYSA-N 391.258 3.660 0 40 GHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@H](C)c1ccc(F)cc1F 23546136 VTFGPYPGJWOIED-ZMZPIMSZSA-N 396.384 3.875 0 40 GHAB Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H](c2ccccc2)c2nccn2C)c1 12525454 BYXDSCBPUAFCNY-QFIPXVFZSA-N 375.472 3.906 0 40 GHAB Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)NCCc2ccc(O)cc2)o1 27934833 QOCGIDAGDDSSIH-UHFFFAOYSA-N 393.365 3.530 0 40 GHAB O=C(Cc1c(Cl)cccc1Cl)OCCCN1C(=O)c2ccccc2C1=O 24695819 ZYECWFFLFUACIU-UHFFFAOYSA-N 392.238 3.765 0 40 GHAB CCn1c(SCC(=O)N[C@H](C)c2cccs2)nc2ccsc2c1=O 24766291 OUTYBUOPBYNMMP-SNVBAGLBSA-N 379.532 3.509 0 40 GHAB CSCc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1 24706512 OBKHXDZWBASMMT-CQSZACIVSA-N 395.488 3.593 0 40 GHAB C=C1c2ccccc2NC(=O)N1Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 24833098 LVXUZCNDUOOXRR-UHFFFAOYSA-N 397.500 3.880 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3cc(OC)ccc3n2)cc1 24873898 SKHLWBQXQATFGY-UHFFFAOYSA-N 377.444 3.978 0 40 GHAB CCCCn1c(SCC(=O)N2CCc3ccccc32)nc2ccsc2c1=O 57426423 ZEBPBHRTYDUDEU-UHFFFAOYSA-N 399.541 3.940 0 40 GHAB CCc1cc(=O)n(CC(=O)N(CC)c2cccc(C)c2)c(-c2ccccc2)n1 57527089 UZZLRCOUZORBRW-UHFFFAOYSA-N 375.472 3.834 0 40 GHAB CCCC(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2cc(C)no2)CC1 100743924 GGZASFKCADMLMI-IYBDPMFKSA-N 385.512 3.696 0 40 GHAB COc1ccc(N(CC(=O)C(C)(C)C)S(=O)(=O)c2ccccc2F)cc1 3339114 VVZBRTBRUWZEAJ-UHFFFAOYSA-N 379.453 3.645 0 40 GHAB CCCOC(=O)c1cc(Br)ccc1NC(=O)c1ccc(C)nc1 58137135 JGYWXSZNHYMZKT-UHFFFAOYSA-N 377.238 3.972 0 40 GHAB Cc1nc(C)c(-c2nnc(S[C@@H](C)C(=O)N3CCc4ccccc43)o2)s1 58155162 DVHAAZSXPOHEMF-NSHDSACASA-N 386.502 3.880 0 40 GHAB CC(C)(C)OC(=O)CN[C@@H](CSCc1ccccc1)C(=O)OC(C)(C)C 22051494 CXNYTEAMBHKWNF-INIZCTEOSA-N 381.538 3.561 0 40 GHAB in-vitro CC(C)Oc1ccccc1CC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 58263879 SVLMOGNQVBGYIY-UHFFFAOYSA-N 376.497 3.532 0 40 GHAB O=C(Nc1ccc(F)c(F)c1F)c1cccc(S(=O)(=O)NC2CCCC2)c1 45169181 WRKUYFNTKQQKRK-UHFFFAOYSA-N 398.406 3.577 0 40 GHAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)NC[C@@H]2CCCO2)cc1 12705943 NDQBCCOMXFOCGH-LWVPEANGSA-N 378.428 3.583 0 40 GHAB CCC(CC)NS(=O)(=O)c1cc(Br)ccc1Br 12755347 TWUUZYDMMPJTAE-UHFFFAOYSA-N 385.121 3.679 0 40 GHAB CC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)n1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)n1 36617863 BANKRJPHTSEQJT-WRMBXCAGSA-N 388.556 3.838 0 40 GHAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN(C)C1CCCCC1 2447682 NXIJSMJOXVJASK-UHFFFAOYSA-N 377.872 3.811 0 40 GHAB NC(=O)c1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1 12854696 QCHOQEVYIOXMDN-OAQYLSRUSA-N 384.439 3.732 0 40 GHAB COc1cccc2cc(/C=C/C(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)oc12 11580013 XYWUEVIBZOFVQK-NKSUMMKUSA-N 391.423 3.976 0 40 GHAB O=C(Cc1csc(-c2ccccn2)n1)NCc1ccc(OC(F)F)cc1 11512262 FGKSEBQXCAVOQK-UHFFFAOYSA-N 375.400 3.665 0 40 GHAB Cn1ncc2c(SCC(=O)Nc3ccc(-c4ccccc4)cc3)ncnc21 11677393 SSSJHYTVNYEKGT-UHFFFAOYSA-N 375.457 3.761 0 40 GHAB Cc1cc(SCC(=O)OCC(=O)c2ccc[nH]2)c(C)cc1Br 3428611 BMTZMUFYILESLA-UHFFFAOYSA-N 382.279 3.912 0 40 GHAB CCOc1ccc(C(=O)/N=c2\[nH]c3ccccc3n2CCN2CCCCC2)cc1 28305485 ALPFPKPCDBAOBN-UHFFFAOYSA-N 392.503 3.595 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC[C@H](C)CC2)cc1 62924107 ZKQZVBKTPDTNAT-INIZCTEOSA-N 375.472 3.956 0 40 GHAB CCCS(=O)(=O)N1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1 49461990 TWDQTNAMBWBDAS-UHFFFAOYSA-N 387.501 3.711 0 40 GHAB COc1ccc(OC)c(C2=Nn3c(nnc3-c3cccc(Cl)c3)SC2)c1 5092941 JQVMHVATMDTVTQ-UHFFFAOYSA-N 386.864 3.974 0 40 GHAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccc(F)cc4F)CC3=O)c2c1 13944652 LWILUHDRISHURA-HNNXBMFYSA-N 397.425 3.784 0 40 GHAB O=S(=O)(Nc1ccccc1I)c1ccc(Cl)cc1 5260252 SCJGUNMBVVVYMI-UHFFFAOYSA-N 393.633 3.745 0 40 GHAB O=C1[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1C1CCCCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]31 5398320 ADBFFFZOCDLIKY-PYCASWLRSA-N 398.890 3.643 0 40 GHAB C[C@H]1CCc2c(sc3ncn(CC(=O)c4ccc5c(c4)CCC5)c(=O)c23)C1 5319249 IVTRIAJDTVACML-ZDUSSCGKSA-N 378.497 3.954 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1OC 408588074 XDFIBBQTTSPEBC-UHFFFAOYSA-N 378.450 3.681 0 40 GHAB CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]3CCCN32)cc1 14944326 QHRYYIWWVCYYGL-MTQWCTHYSA-N 378.497 3.733 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)CSc3ccccc3)n2)cc1OC 4943756 DCNKZVNBGNOTDE-UHFFFAOYSA-N 399.472 3.505 0 40 GHAB CCn1c(CSc2ccccc2F)nc2cc(S(=O)(=O)N(C)C)ccc21 6908108 WTJACWZQGVLNOM-UHFFFAOYSA-N 393.509 3.738 0 40 GHAB C[C@H]1CCCN(C(=O)CSc2nc3sccc3c(=O)n2-c2ccccc2)C1 6907568 KPGDTFZYOQTVQV-AWEZNQCLSA-N 399.541 3.798 0 40 GHAB Cc1cccc(C(=O)Nc2nc(-c3nnn(-c4cccc(F)c4)c3C)ns2)c1 67225365 MJVJOOLDRWIABB-UHFFFAOYSA-N 394.435 3.794 0 40 GHAB CCCCn1c(SCC(=O)Nc2cccc(C)c2)nc2cc(C)[nH]c2c1=O 67238384 CYUSEIJFZKBEKI-UHFFFAOYSA-N 384.505 3.872 0 40 GHAB Cc1ccc(F)cc1NC(=O)c1nnn(CC(=O)Nc2c(C)cccc2C)c1C 67323605 SFGDYXJZPQQUFA-UHFFFAOYSA-N 395.438 3.542 0 40 GHAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 7197895 LZYFBFAMDRQIOQ-DYESRHJHSA-N 397.471 3.843 0 40 GHAB COc1cc(C=O)ccc1OCC(=O)Nc1nc(-c2ccccc2)c(C)s1 408599047 DBGZUCXVHQLWBL-UHFFFAOYSA-N 382.441 3.957 0 40 GHAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 21600784 GHWBUZXFSFOPOF-HZPDHXFCSA-N 384.501 3.715 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccc(-n2cccc2)c1 8164285 LMINCSOOMYWQMS-UHFFFAOYSA-N 375.472 3.586 0 40 GHAB COc1ccc(NC(=O)c2ccc(NC(=O)Cc3c(C)noc3C)cc2)cc1 8276693 AZITXURLYDNOSC-UHFFFAOYSA-N 379.416 3.734 0 40 GHAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8369091 KQDGXOBISKRVBT-LJQANCHMSA-N 377.440 3.987 0 40 GHAB Cc1ccc2c(COC(=O)[C@H]3CCCCN3Cc3cccnc3)cc(=O)oc2c1 97164522 RZCQTVMAYWMDJA-HXUWFJFHSA-N 392.455 3.594 0 40 GHAB O=C(NCCC(=O)N1CCc2sccc2[C@@H]1c1cccs1)c1ccco1 9217093 KXQJSFOCLCHOFS-GOSISDBHSA-N 386.498 3.697 0 40 GHAB COc1ccccc1Nc1ncccc1C(=O)OCC(=O)Nc1cccc(F)c1 9248983 JJBGRMABCLSQPU-UHFFFAOYSA-N 395.390 3.768 0 40 GHAB Cc1ccc(CC(=O)NCc2ncccc2NC(=O)Cc2ccc(C)cc2)cc1 96010831 SZOKNBOFKNIATE-UHFFFAOYSA-N 387.483 3.739 0 40 GHAB O=C(COC(=O)[C@H]1C[C@H]1c1ccco1)Nc1ncc(C(F)(F)F)cc1Cl 84432297 LNEAJZUBQARHET-ZJUUUORDSA-N 388.729 3.632 0 40 GHAB Nc1nc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)nc2ccccc12 84593277 MOCJRRCSHDHISU-UHFFFAOYSA-N 382.414 3.585 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)Nc3cnn(Cc4ccccc4)c3)cc2NC1=O 71819996 DNFABHKSFQWHAC-ZDUSSCGKSA-N 378.457 3.616 0 40 GHAB O=C(NCc1cccs1)[C@@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 23142899 YYFAMAGEOGSKSB-CQSZACIVSA-N 384.530 3.799 0 40 GHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCC(=O)Nc1ccccc1Cl 96743031 PZPJCNKILFNUNN-CQSZACIVSA-N 394.924 3.765 0 40 GHAB COc1ccc(CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1F 95348531 NXJLPYIFNLZFDJ-NRFANRHFSA-N 384.451 3.614 0 40 GHAB CCn1ncc(Br)c1C(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28237160 XIEGSBOBVWMSOK-CYBMUJFWSA-N 387.281 3.947 0 40 GHAB O=S1(=O)C[C@@H]2N=C(SCc3ccccc3Cl)N(c3ccccc3)[C@H]2C1 32640446 RSDOBKJPGAIIIA-IRXDYDNUSA-N 392.933 3.615 0 40 GHAB Cc1cccc(Nc2noc3c2CN(C(=O)C[C@@H](C)n2ccnc2)CC3)c1C 72397202 CCKXCWYSJYJIQU-OAHLLOKOSA-N 379.464 3.768 0 40 GHAB CCCn1c(=O)n(CC(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc21 30887069 AVJRVGHGUVIJOD-UHFFFAOYSA-N 393.365 3.750 0 40 GHAB Cc1cc(C)nc(Nc2ccc(C(=O)NC[C@H]3CCCN4CCCC[C@H]34)cc2)n1 526052350 AQKPYBIWXSAEIA-TZIWHRDSSA-N 393.535 3.831 0 40 GHAB biogenic C[C@H](NC(=O)[C@@H]1C[C@H]1c1csc(Br)c1)C(=O)Cc1ccccc1 528879570 ZMMLVYSZDSYKKI-TUKIKUTGSA-N 392.318 3.931 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(F)cc1 72396937 OSKQHCSFEYQSRC-IBGZPJMESA-N 379.435 3.887 0 40 GHAB O=C(Nc1nn(Cc2ccccc2F)cc1Cl)[C@H]1CCCC[C@H]1C(=O)O 32610010 FJOPBXAUYGSMRZ-QWHCGFSZSA-N 379.819 3.553 0 40 GHAB O=C1NC2(CCCCC2)C(=O)N1CN(Cc1ccccc1C(F)(F)F)C1CC1 48374140 JCUHBABNDHPTSW-UHFFFAOYSA-N 395.425 3.882 0 40 GHAB C[C@H](c1ccc(F)cc1)N1CC[C@@H](Nc2cccc([C@@H]3CCC(=O)N3)c2)C1=O 568491855 UDVSPEUENVBPKU-VOBQZIQPSA-N 381.451 3.551 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 224222994 YKRDJZXGCQCLRK-NRFANRHFSA-N 396.531 3.934 0 40 GHAB COC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 225045273 IGTPZXGULNIYDL-UHFFFAOYSA-N 389.860 3.862 0 40 GHAB Cc1ccc(Cl)cc1N(CCCC(=O)NCC1=CCCCC1)S(C)(=O)=O 224049008 ULIBQUFUONEBNU-UHFFFAOYSA-N 398.956 3.811 0 40 GHAB C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N1CCC(c2ccncn2)CC1 569908648 LXFJHBBQZFDPBI-HNNXBMFYSA-N 395.482 3.628 0 40 GHAB O=C(c1ccc(C2OCCO2)s1)c1ccccc1I 43210407 JQBVFOJQSKDUII-UHFFFAOYSA-N 386.210 3.629 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222927256 AERXIEYFVCVUDJ-CYBMUJFWSA-N 394.924 3.789 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)n1 40141712 KWIFXHCZSKTAOD-CYBMUJFWSA-N 390.505 3.952 0 40 GHAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccc(OC)cc2)c1 225267131 JQIWLDQPOCXYAT-CQSZACIVSA-N 388.489 3.626 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 224213522 UGYQOFOSLLYYPQ-NRFANRHFSA-N 396.531 3.934 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 222477072 SUUDUQHTUXLSCK-SFHVURJKSA-N 396.531 3.835 0 40 GHAB CC(C)n1cnc2cc(C(=O)N(CC(=O)O)Cc3cc(F)cc(F)c3)ccc21 257201145 AGMMKPIDFXCKIW-UHFFFAOYSA-N 387.386 3.622 0 40 GHAB CNC(=O)c1sc2nc([C@H]3CCCCN3Cc3cccc(C)n3)ccc2c1N 257332359 XWYOURDVUQZKPR-QGZVFWFLSA-N 395.532 3.669 0 40 GHAB COc1ncc(CN2CCC(c3ccnc(-c4c(C)noc4C)c3)CC2)cn1 257206633 BEHDWBZFHVQJES-UHFFFAOYSA-N 379.464 3.532 0 40 GHAB Cc1cccc(Nc2cncc(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)n2)n1 257291550 QHMUGSBNDNNQDQ-SFHVURJKSA-N 377.492 3.986 0 40 GHAB COc1ccc([C@H](NC(=O)c2nnn(C(C)(C)C)n2)c2ccccc2Cl)cc1 669050219 MUQXBUNZLSYYRM-KRWDZBQOSA-N 399.882 3.610 0 40 GHAB O=C(c1ccccc1C(F)(F)F)N1CCC(N[C@H]2COC3(CCC3)C2)CC1 657980346 BXFNMJXVLNMGBX-OAHLLOKOSA-N 382.426 3.611 0 40 GHAB Cc1noc(CC(=O)N2CCC3(CCc4cc(-c5ccoc5)ccc43)CC2)n1 585105635 MKTKRPYYEABGTL-UHFFFAOYSA-N 377.444 3.687 0 40 GHAB Cc1cc(Cl)ccc1C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111271 MDWXLEZJOIYFQC-FQEVSTJZSA-N 395.890 3.937 0 40 GHAB CN(CCOc1ccccc1F)C(=O)c1cc(Cl)c2c(c1)OCCCO2 48248730 KSLOJGIPUFGYNQ-UHFFFAOYSA-N 379.815 3.791 0 40 GHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NC(C)(C)c1ccc2c(c1)OCCO2 60241466 ZPQYSHIZCMBORS-ZDUSSCGKSA-N 375.852 3.930 0 40 GHAB CCCCC1CCC(C(=O)N(C)CCN(C)C(=O)CCc2cccnc2)CC1 1615611780 QOGGKEQAQDHTOK-UHFFFAOYSA-N 387.568 3.928 0 40 GHAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3ccc4ncsc4c3)CC2)n1 1775967847 DWYCGELUVJCNIQ-UHFFFAOYSA-N 396.516 3.628 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2cccc(C)c2)c(C(=O)OCC)c1C 5473828 QTTDJGLCOUANMV-UHFFFAOYSA-N 375.446 3.971 0 40 GHAB COCCCNC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12 5738287 YDFVKQOFTFUNHM-DEDYPNTBSA-N 398.466 3.621 0 40 GHAB COc1ccc(CN2CCC(O)(c3cccc(C)c3)CC2)cc1Cn1cccn1 12328286 XUZOSNIJHBKXOO-UHFFFAOYSA-N 391.515 3.732 0 40 GHAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1C 13672331 GWDWVABEVZDEDY-UHFFFAOYSA-N 383.853 3.635 0 40 GHAB CCN(CC)CCn1c(NC(=O)Cc2ccccc2OC)nc2ccccc21 14651236 UVSJXDJHYHIMMW-UHFFFAOYSA-N 380.492 3.568 0 40 GHAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1ccccc1 16489318 DILKGWLECFBHGI-UHFFFAOYSA-N 382.441 3.505 0 40 GHAB CC(C)(C)c1cc(C(=O)Nc2ncc(Cc3ccccc3)s2)nc2ncnn12 19083889 STIDZUNJIHEQKQ-UHFFFAOYSA-N 392.488 3.721 0 40 GHAB Cc1nnc([C@H]2CCCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)s1 23140647 CGNZAQDSMDDORA-AWEZNQCLSA-N 379.551 3.712 0 40 GHAB CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccccc1 904364 CIEPHHGXZVCJKB-UHFFFAOYSA-N 398.488 3.713 0 40 GHAB Cc1cc(N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)nc(C2CC2)n1 1888897678 BJNMLLLEVRWDGE-UHFFFAOYSA-N 389.503 3.597 0 40 GHAB FC(F)(F)c1ccnc(N2C[C@H]3CCN(c4nc5cnccc5s4)[C@H]3C2)c1 1889202466 YEJOVKJHSQCYMC-RISCZKNCSA-N 391.422 3.820 0 40 GHAB O=C(c1cncc(F)c1)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1775996116 WCWSMUOYNURNBS-GFCCVEGCSA-N 383.345 3.566 0 40 GHAB O=C(NC[C@]1(O)CSCc2ccccc21)c1csc(-c2ccccc2)n1 2087175593 RQXKWWQELGLJOT-FQEVSTJZSA-N 382.510 3.675 0 40 GHAB Cc1ccc2cc(CCNC(=O)c3ccccc3Br)c(=O)[nH]c2c1C 4032952 GOZLKOBQBTVIIC-UHFFFAOYSA-N 399.288 3.880 0 40 GHAB CSc1ccccc1NC(=O)c1cccn(OCc2ccccc2F)c1=O 4326108 JZSPTSVRKIISJM-UHFFFAOYSA-N 384.432 3.590 0 40 GHAB Cc1ccc(-c2nc3scc(CCNC(=O)Cc4ccccc4)n3n2)cc1 4479885 ZLZOGWDIBLVRCR-UHFFFAOYSA-N 376.485 3.668 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1OCC 5440311 UJGLZPSYJANBEP-UHFFFAOYSA-N 398.459 3.872 0 40 GHAB O=C(NCc1ccc(Cl)cc1)c1cc(=O)c(OCc2ccc(F)cc2)co1 11856804 INHCRBFEVLHEKB-UHFFFAOYSA-N 387.794 3.941 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)c1cc(=O)c(OCc2ccccc2)co1 11856532 ZJSFVNLLPXMODB-KRWDZBQOSA-N 377.440 3.970 0 40 GHAB Cc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)Nc1cccc(F)c1 12230356 ZPEXVTAXKADNPS-UHFFFAOYSA-N 384.382 3.653 0 40 GHAB CCCCc1[nH]c(SCC(=O)Nc2ccc(Br)cn2)nc1C 15083738 CFKSCYKUAYPXAT-UHFFFAOYSA-N 383.315 3.949 0 40 GHAB Cc1ccccc1NC(=O)[C@@H](C)SC1=Nc2ccccc2C2=N[C@H](C)C(=O)N12 21935665 MOCDTCRIANAOHI-ZIAGYGMSSA-N 392.484 3.734 0 40 GHAB O=C(NC[C@](O)(c1ccco1)c1cccs1)c1ccccc1Br 225586896 TZRMAKPWFHMDDA-KRWDZBQOSA-N 392.274 3.770 0 40 GHAB COc1cccc(CN2C[C@H]3C[C@H](O)[C@@H](n4c(C)nc5ccccc54)C[C@H]3C2)c1 2332242742 MYGIQSVAPFJTEZ-PLWWPAAYSA-N 391.515 3.797 0 40 GHAB O=C(Cn1cc(Br)ccc1=O)Nc1ccc2c(c1)-c1ccccc1C2 40087601 CUMPCIDDFYADLT-UHFFFAOYSA-N 395.256 3.821 0 40 GHAB CCn1c(=N)n(C[C@H](O)COc2ccc(Cl)cc2Cl)c2ccccc21 20064697 VJOLMVIDUNDJQX-ZDUSSCGKSA-N 380.275 3.689 0 40 GHAB COc1cc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccc(F)cc4)c32)ccc1O 40288439 WLZNFEXISJNKNK-CQSZACIVSA-N 396.374 3.503 0 40 GHAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C2 100946534 ZFGVLKRKUBYNBG-BZNIZROVSA-N 391.411 3.722 0 40 GHAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N[C@H]1C[C@H]2CC[C@H]1C2 101323261 VBGSDXCUDCUKCY-HUBLWGQQSA-N 393.896 3.699 0 40 GHAB Cc1nc(S)sc1CC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 46397914 SCFHCKKEMHEPEB-INIZCTEOSA-N 398.557 3.721 0 40 GHAB COc1cc(CC(=O)Nc2nc3ccc(F)cc3s2)cc(OC)c1OC 2629206 KODAAQKRAUJKDD-UHFFFAOYSA-N 376.409 3.642 0 40 GHAB COc1cccc2cc(C(=O)N(C)CCOc3cccc(Cl)c3)c(=O)oc12 32788216 GUIRNTLRJRPJEQ-UHFFFAOYSA-N 387.819 3.606 0 40 GHAB O=C(NCC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 3549782 OADZUDWYLJUEJQ-UHFFFAOYSA-N 398.956 3.825 0 40 GHAB COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)O[C@H]1CC[C@@H](C)[C@@H](C)C1 4595250 HUYGQRAVZXPWSL-QUHUKJRKSA-N 388.533 3.856 0 40 GHAB COc1ccc([C@H](CC(=O)N2CCC[C@H]2c2ccc(F)cc2)NC(C)=O)cc1 32901534 QFQHQOILKSPPAM-SFTDATJTSA-N 384.451 3.765 0 40 GHAB O=C(Nc1ccccc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 6766705 XARBFCHAJXKBFJ-UHFFFAOYSA-N 378.453 3.690 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccccc1CC 7939837 DIYVGOZJGOGVIP-UHFFFAOYSA-N 398.459 3.548 0 40 GHAB NC(=O)c1ccccc1NC(=O)c1ccccc1COc1ccc(F)cc1F 2788248 BZANTNOWEUXHOW-UHFFFAOYSA-N 382.366 3.895 0 40 GHAB CCc1ccc(N2C(=O)N(c3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 8064215 LALCCKZGOYVADT-ROUUACIJSA-N 390.892 3.515 0 40 GHAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 8288979 RGLDWXYUSPKTTD-UHFFFAOYSA-N 396.468 3.786 0 40 GHAB O=C1CCSc2ccc(C(=O)NCCSCc3ccsc3)cc2N1 21962994 KPWRJBSSGPERSR-UHFFFAOYSA-N 378.544 3.846 0 40 GHAB COc1ccc(C(=O)C2CCN(C(=S)Nc3cccc(OC)c3)CC2)cc1 10845198 BKCARVSTZNNBBC-UHFFFAOYSA-N 384.501 3.996 0 40 GHAB CN1C(=O)c2ccc(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)cc2C1=O 33216079 DEOYUMFMSPAOEX-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB O=C(COc1nc2c3c4c(sc3ncn2n1)CCC4)c1ccc(Cl)cc1 12322393 JDOBYZOTZDCJLY-UHFFFAOYSA-N 384.848 3.743 0 40 GHAB COc1ccc2cc(CN(C)CN3C(=O)NC4(CCCCCC4)C3=O)ccc2c1 23732874 NHQFYFCVQUXJQQ-UHFFFAOYSA-N 395.503 3.883 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)ccc21 52781213 JVDCBBJXDYGCRL-UHFFFAOYSA-N 398.406 3.805 0 40 GHAB Cc1ccc(-n2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2C)cc1 12526831 UDVCYCZQHVEXHX-UHFFFAOYSA-N 376.460 3.578 0 40 GHAB O=C(Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1)c1ccco1 12552246 YMOHLEKDTGUQSI-UHFFFAOYSA-N 382.441 3.821 0 40 GHAB Cc1cc(C)cc(N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 22329386 YOZIPQOLEKOFTI-GOSISDBHSA-N 388.533 3.564 0 40 GHAB Cc1nc(-c2ccco2)nc2sc(C(=O)NCCc3ccccn3)c(C)c12 22507808 YDMVIQGBOJSDRG-UHFFFAOYSA-N 378.457 3.936 0 40 GHAB CN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1cccc(F)c1 24778213 SQDQNJTZDBIWCX-UHFFFAOYSA-N 378.451 3.959 0 40 GHAB Cc1ccccc1-c1ccc(N2CCC(C(=O)NCc3ccco3)CC2)nn1 23143300 LEAQKESDJDKHFL-UHFFFAOYSA-N 376.460 3.578 0 40 GHAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)OCc1ccc(F)cc1Cl)(C3)C2 101469282 YGLPQPAKIPESAQ-NILVNCKXSA-N 379.859 3.997 0 40 GHAB CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H](c2ccccc2)C1 25909843 UJBPIJCFOOMAHW-MRXNPFEDSA-N 385.316 3.671 0 40 GHAB Cc1c(Cl)cccc1C(=O)Cn1nc(N)n(Nc2cccs2)c1=S 28535027 GWYDFUDASKWGQD-UHFFFAOYSA-N 379.898 3.778 0 40 GHAB Cc1ccccc1[C@@H]1CCCN1C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 84235423 SOHPQCMYMIBQBL-IXDOJHRFSA-N 384.501 3.743 0 40 GHAB Cc1cc(OC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c2c(C)cc(=O)oc2c1 2095281 NRHSOZXQJXONIV-CQSZACIVSA-N 387.432 3.715 0 40 GHAB biogenic COCc1cccc(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 58201266 ARLJNAUMFVGLHV-KRWDZBQOSA-N 376.497 3.552 0 40 GHAB O=C(Oc1ccccc1Br)C1CCN(C(=O)c2cccs2)CC1 25732246 DPNKBBFQIZWMHL-UHFFFAOYSA-N 394.290 3.968 0 40 GHAB CCOc1ccc(-c2nn3c(Cc4ccc(OC)c(OC)c4)nnc3s2)cc1 10311777 KMFPTQANPNFGGL-UHFFFAOYSA-N 396.472 3.860 0 40 GHAB CCCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 27989219 PQDDMBGURRWNLL-IBGZPJMESA-N 388.533 3.730 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)COc1cccc(NC(=O)c2ccco2)c1 36394619 HFRIFXROUPGZEH-HNNXBMFYSA-N 376.412 3.889 0 40 GHAB CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 408545671 MCWYMVVGIIRSPQ-UHFFFAOYSA-N 380.897 3.897 0 40 GHAB O=C(CNc1ccccc1OC(F)(F)F)Nc1cccc(C(=O)NC2CC2)c1 10855869 YIUDWRIJQNFQLK-UHFFFAOYSA-N 393.365 3.528 0 40 GHAB CN(C)C(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C 12795016 UFOPNILMXNJUAA-CYBMUJFWSA-N 392.594 3.875 0 40 GHAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc(-c3cccc(O)c3)nc21 2393242 TXDJDUJIRVJZML-UHFFFAOYSA-N 376.807 3.798 0 40 GHAB C[C@H](NC(=O)CCCNC(=O)c1ccsc1)c1ccccc1Br 12798166 AENGAIANLYGOGR-LBPRGKRZSA-N 395.322 3.898 0 40 GHAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCCOc1ccc(Cl)cc1 3455448 XXNRECSNNQFDTN-LBPRGKRZSA-N 382.243 3.734 0 40 GHAB CC1(C)C[C@H](NC(=O)CCn2ccc3ccc(Br)cc32)CCO1 70666425 WCZWNCNOQGHZTP-OAHLLOKOSA-N 379.298 3.868 0 40 GHAB biogenic Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1C 408652488 OSYFXQXOQLSRIU-LJQANCHMSA-N 379.456 3.699 0 40 GHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCC1(c2cccc(F)c2)CCCCC1 63082310 OECWQRWQWSRLTH-UHFFFAOYSA-N 383.423 3.596 0 40 GHAB O=C(CCc1ccccn1)Nc1cc(-c2ccc(Br)s2)n[nH]1 63340361 OGMGCHBCEFTCTI-UHFFFAOYSA-N 377.267 3.867 0 40 GHAB CC(C)NC(=O)c1cccc2c1CCCN2Cc1cc(F)cc2c1OCOC2 8706806 VDWBRWTUEFPMQU-UHFFFAOYSA-N 384.451 3.783 0 40 GHAB CCOc1ccc2nc(NC(=S)NC(=O)c3ccc(OC)cc3)sc2c1 4520388 GWHMKUKZDUKDCW-UHFFFAOYSA-N 387.486 3.830 0 40 GHAB COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccc(F)cc4)c32)c1 66087846 HODZCLPEWUWACM-INIZCTEOSA-N 380.375 3.797 0 40 GHAB COc1ccc(OCC(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc1 9052429 MVDNFLPGOYKLSJ-UHFFFAOYSA-N 379.416 3.642 0 40 GHAB COc1cccc(-c2nnn(CC(=O)Nc3ccccc3-c3ccccc3)n2)c1 15554851 BFWSPURUZMPOCR-UHFFFAOYSA-N 385.427 3.654 0 40 GHAB Cc1cc(OC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl 7308782 RSTSPYPMTRQWTG-UHFFFAOYSA-N 379.865 3.652 0 40 GHAB Cc1cc(Nc2cccc(S(N)(=O)=O)c2)c2ccc(C(F)(F)F)cc2n1 7572335 ZBIATEBWKWFRQC-UHFFFAOYSA-N 381.379 3.953 0 40 GHAB CCN(CC)CCCC1CCN(CC(=O)N[C@@H](C)c2ccccc2OC)CC1 96007903 ZVQGJGNESRDJQM-IBGZPJMESA-N 389.584 3.706 0 40 GHAB O=C(O)CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc2nccnc12 72314696 QEWVHDUFNFLFDO-IBGZPJMESA-N 388.427 3.562 0 40 GHAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl 7726644 HMVXKBSCFFCQRO-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)NCc1ccco1 7844060 RCUTXUXGPPAKOL-LBPRGKRZSA-N 388.518 3.655 0 40 GHAB CCN(Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@@H]1COc2ccccc2O1 16628182 SCQJIKNZDDEJTH-LJQANCHMSA-N 391.467 3.944 0 40 GHAB CN(C)CCCn1cnc2cc(NC(=O)c3cccc4c3ccn4C)ccc21 96223682 DQYCUDFONUBLFS-UHFFFAOYSA-N 375.476 3.732 0 40 GHAB O=C(Nc1nncs1)c1cc(O)c(OCc2ccc(Cl)cc2Cl)cn1 61717993 YZNXJKQBVORQSA-UHFFFAOYSA-N 397.243 3.777 0 40 GHAB COc1cccc2[nH]cc([C@@H](CC(=O)NCc3nc(C)no3)c3ccsc3)c12 95473905 NAIPVMBUARUMIE-AWEZNQCLSA-N 396.472 3.768 0 40 GHAB CCOc1ccccc1Oc1ccc(CNC(=O)c2cnc(C)nc2C)cn1 95464315 MUDFBSXTVBKETG-UHFFFAOYSA-N 378.432 3.609 0 40 GHAB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 95943276 CJIICQFJPNXGOA-PZGXJPJSSA-N 392.927 3.558 0 40 GHAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Br)s3)C2=O)cc1 409238350 NCQFDUFYOAPSBX-MDWZMJQESA-N 377.263 3.912 0 40 GHAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]21)c1ccccc1 409370755 AYCVRTMVAKYHHR-QCFAMHMHSA-N 385.419 3.780 0 40 GHAB O=C(Nc1ccccc1)N1CC[C@H]2[C@H](CC1)CCN2C(=O)NCc1ccccc1 306133370 MJTMLAOYCPTTRM-CTNGQTDRSA-N 392.503 3.915 0 40 GHAB Cc1cccnc1NC(=O)[C@@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 23142911 XNXHTERFFAZHTB-OAHLLOKOSA-N 379.489 3.764 0 40 GHAB C[C@@H](NC(=O)N1CCOC[C@H]1c1nc(-c2ccccc2)c[nH]1)c1ccccc1 67898834 FPFZYFLJAJXUGX-UZLBHIALSA-N 376.460 3.921 0 40 GHAB biogenic,in-vitro CC(C)Oc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408707559 KKPFAEUNEHMCKA-MRXNPFEDSA-N 386.879 3.797 0 40 GHAB O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(CCCc1ccccc1)C2=O 32093743 AJLYQMGAYDKWAU-UHFFFAOYSA-N 385.423 3.563 0 40 GHAB Cc1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)cc1Cl 38561226 KYJVJBWDNBCJRZ-UHFFFAOYSA-N 389.952 3.967 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NCCCOC 30751513 DBBKXDVIHPUARO-FQEVSTJZSA-N 398.503 3.866 0 40 GHAB O=C(Cc1ccccc1)N1CCC[C@H](c2nnc(Cc3ccc(F)cc3)o2)C1 35596881 WPUCDELJBOKYQR-SFHVURJKSA-N 379.435 3.748 0 40 GHAB Cc1ccc2c(c1)c1nnc(SCC(=O)Nc3ccc(F)cc3)nc1n2C 35313017 KZBDWYRXWBOIEQ-UHFFFAOYSA-N 381.436 3.695 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccccc3Cl)oc2c1 32127810 GWIHABIKVFTEKN-UHFFFAOYSA-N 388.836 3.566 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)Nc1nn2c(-c3ccc(Cl)cc3)nnc2s1 41108757 ODTRPNPXYLYWIZ-LLVKDONJSA-N 399.863 3.912 0 40 GHAB COc1ccc2cc(S(=O)(=O)NCc3ccc(-n4ccnc4)cc3)ccc2c1 225841325 MZTRRBINSQIOEV-UHFFFAOYSA-N 393.468 3.513 0 40 GHAB CCCNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(N2CCC[C@@H](C)C2)n1 225885793 LXLRYVOIUSJSQY-HZPDHXFCSA-N 390.601 3.646 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(C)c(C)c1 224619263 CXICQXQVUAHEMT-JOCHJYFZSA-N 396.531 3.668 0 40 GHAB CC1CCN([C@H](CNC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)C(C)C)CC1 40090772 WSDVVNWQLLCZKL-YVWYTEFXSA-N 397.563 3.699 0 40 GHAB COc1ccc(NC(=S)NCCCc2ccc(OC)c(OC)c2)c(OC)c1 225626994 IJIYAICKHDKPTG-UHFFFAOYSA-N 390.505 3.640 0 40 GHAB CC(=O)c1cccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)c1 225729532 KOMHDGWWBGCKBH-UHFFFAOYSA-N 399.244 3.605 0 40 GHAB CCOc1ccc(-c2noc(CNC(=O)c3ccc(OC)c(Cl)c3)n2)cc1 224991949 PSYULGZWLUBHAB-UHFFFAOYSA-N 387.823 3.727 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 225510142 XXQVUVGYJAGOBM-IBGZPJMESA-N 396.531 3.878 0 40 GHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223874515 DVDXDJNVWUGLIM-SCLBCKFNSA-N 395.908 3.778 0 40 GHAB CCOC(=O)c1sc(NC(=O)[C@H](Cc2ccccc2)n2cccc2)nc1C 575443124 JQZLCCKTZMEMKZ-INIZCTEOSA-N 383.473 3.852 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 220299960 WJNFGHREVGZIGR-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB COc1cccc(C(=O)Nc2nc(CCCc3c[nH]c4ccccc34)n[nH]2)c1 95479020 ISLQDSJJVHBFFI-UHFFFAOYSA-N 375.432 3.722 0 40 GHAB Cc1c[nH]c(-c2cc([C@H]3CCCCN3C(=O)c3cccc(F)c3)nc(C)n2)n1 257228982 FWCCHHNUAKOEGO-LJQANCHMSA-N 379.439 3.990 0 40 GHAB O=C(c1ccccc1C(F)(F)F)N1CCC(N[C@@H]2COC3(CCC3)C2)CC1 657980345 BXFNMJXVLNMGBX-HNNXBMFYSA-N 382.426 3.611 0 40 GHAB COC(=O)[C@@H]1CN(C(=O)Nc2ccc(-c3ncco3)cc2)Cc2ccccc21 1215942009 KZXBSCFSIYFYBC-GOSISDBHSA-N 377.400 3.646 0 40 GHAB Cc1cc(CN2CCc3oc(C(=O)N4C[C@H](C)C[C@@H](C)C4)nc3C2)ccc1F 585112862 WEJMANGFYFTIMZ-HUUCEWRRSA-N 385.483 3.799 0 40 GHAB CC(C)C(=O)Nc1nc(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cs1 44412144 YOPFPYCYYCOHNJ-MRXNPFEDSA-N 375.469 3.783 0 40 GHAB Cn1nc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)c2c1CCC2 1615122758 AOAZQZMNVZGOOE-QHCPKHFHSA-N 396.510 3.712 0 40 GHAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)cc2)cc1OCC 944579 DLMKNNHUUOBZQV-UKTHLTGXSA-N 383.444 3.988 0 40 GHAB OCCSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 5332117 KCOGVJLDVJFKRJ-UHFFFAOYSA-N 376.279 3.781 0 40 GHAB CCn1c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nnc1-c1ccncc1 5505244 AVAGYIHXDIEDIS-GOSISDBHSA-N 393.516 3.816 0 40 GHAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(Br)cc1 5558284 APIYYDCAOIAUKX-UHFFFAOYSA-N 381.657 3.861 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5980770 BDWZTLVNDGNXSU-CQSZACIVSA-N 379.378 4.000 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c1 11615560 DAIAYUZQKIHLID-UHFFFAOYSA-N 384.866 3.768 0 40 GHAB O=C(CCC1CCCC1)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O 12144953 FXAUURLJWNMSHJ-QGZVFWFLSA-N 385.533 3.933 0 40 GHAB COc1ccccc1CN(Cc1coc2ccccc2c1=O)C[C@@H]1CCCO1 12187574 OMVCFPYWQHIKKK-IBGZPJMESA-N 379.456 3.983 0 40 GHAB CCC(=O)N(c1nnc(SCc2cc(F)cc3c2OCOC3)s1)C1CC1 14678757 GENSQTOHNTUEKX-UHFFFAOYSA-N 395.481 3.741 0 40 GHAB Cc1ccc(O)c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1 16920279 CBUQCMVWHBOSOZ-SXGWCWSVSA-N 386.404 3.515 0 40 GHAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cccc(F)c1 19017723 VIBXXDGITYOKLY-NJDAHSKKSA-N 384.426 3.584 0 40 GHAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)c3ccc(C)[nH]c3=O)C2)n1 19131449 QKAMDDMZTDGFPD-HNNXBMFYSA-N 394.500 3.530 0 40 GHAB CCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 19530134 SSJBCOCGAHALTC-LPHOPBHVSA-N 396.487 3.712 0 40 GHAB Cc1nc([C@@H]2CCCCN2Cc2ccc3[nH]ccc3c2)ncc1C(=O)N(C)C 19753694 NGNZSYYWURGSSU-FQEVSTJZSA-N 377.492 3.695 0 40 GHAB FC(F)(F)c1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C(F)(F)F)c1 200829682 LDFXTRYMMZGKIC-UPHRSURJSA-N 375.232 3.994 0 40 GHAB Cn1nnnc1SCC(=O)c1ccc(-c2ccc(Br)cc2)cc1 20817012 BUOMZBBTDXUJEZ-UHFFFAOYSA-N 389.278 3.615 0 40 GHAB CCN1Cc2ccccc2NC2(CCN(Cc3ccc(Cl)cn3)CC2)CC1=O 2037985211 BMPUXRSRIDWQIQ-UHFFFAOYSA-N 398.938 3.934 0 40 GHAB CC(C)N1Cc2ccccc2CC2(CCN(C(=O)c3ccccc3)CC2)C1=O 1565550661 DQIZYGMHJFPLHS-UHFFFAOYSA-N 376.500 3.902 0 40 GHAB C[C@H]1CCc2sc(NC(=O)c3ccc(Br)cc3)c(C(N)=O)c2C1 1518466 ZDCUQJZIWZDMGR-VIFPVBQESA-N 393.306 3.987 0 40 GHAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1ccccc1 4305820 AMYOZYSZZODAGP-IBGZPJMESA-N 391.496 3.607 0 40 GHAB O=C(CSc1ccc2nnc(-c3cccs3)n2n1)Nc1ccccc1F 4326610 FBDQODIXFVKLJZ-UHFFFAOYSA-N 385.449 3.723 0 40 GHAB Cc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1C 11612677 PVBSHJXSUPHNEI-GOSISDBHSA-N 386.517 3.875 0 40 GHAB O=C(Cn1cnc2c(sc3cccc(F)c32)c1=O)Nc1ccc(F)c(F)c1 17149814 IREOQXCMNQPHOK-UHFFFAOYSA-N 389.358 3.667 0 40 GHAB CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2ccc(-c3ccoc3)nc2)CC1 575615301 DBJQWCUAWHGAKI-UHFFFAOYSA-N 399.491 3.995 0 40 GHAB CN(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc(C(C)(C)C)cc1 40024997 BQZCSKWFNMXGPT-UHFFFAOYSA-N 380.492 3.614 0 40 GHAB O=C(NCCC12C[C@@H]3CC1C[C@@H]3C2)[C@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F 32581175 XOIMGDQMWJINKH-WRTCUPQESA-N 387.442 3.841 0 40 GHAB COc1ccc(NC(=O)CS[C@@H]2CCc3ccccc3N=C2O)c(OC)c1 11865836 PMHQHPGABXFFSC-GOSISDBHSA-N 386.473 3.979 0 40 GHAB COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)cs2)c1 11972136 SWRHDWCMPFURDM-NSHDSACASA-N 395.440 3.790 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)c(C)c1 917179 FAWXAYOGCNFFHU-UHFFFAOYSA-N 377.473 3.864 0 40 GHAB CCOc1cc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1Cl 32601653 OIKPDPCYZDKLMO-UHFFFAOYSA-N 390.244 3.891 0 40 GHAB Cc1ccccc1NC(=O)[C@H]1C(=O)N[C@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 1321463 SJGLYUNTUZHSCL-DCSJCSGWSA-N 376.456 3.742 0 40 GHAB biogenic CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2cc(-c3ccccc3)on2)c1 32745405 XKQCYUUFJDSDEA-UHFFFAOYSA-N 393.399 3.615 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1C[C@@H](C)C[C@H](C)C1 4860318 WAUKQBSIVYNPOP-MELADBBJSA-N 389.471 3.789 0 40 GHAB CCCCOc1cccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)c1 6240928 PVIFXYPPDOXVNZ-UHFFFAOYSA-N 385.489 3.951 0 40 GHAB CCCCCNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 6596984 IQPNCTXORBFHJO-UHFFFAOYSA-N 390.505 3.551 0 40 GHAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccc(N2CCCCCC2)cc1 7047048 QLYXTXPWIGJXTN-UHFFFAOYSA-N 397.519 3.715 0 40 GHAB COc1cc(NC(=O)CCCOc2ccccc2C)ccc1N1CCCC1=O 32906425 QAXFFBOIRDBSOD-UHFFFAOYSA-N 382.460 3.928 0 40 GHAB COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7928406 BIJBXHWFTGISDF-NSHDSACASA-N 379.243 3.994 0 40 GHAB CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cccc2ncccc12 32902587 RZOXIDMAUIXOMH-FQEVSTJZSA-N 394.450 3.836 0 40 GHAB CCOc1cc2c(cc1CSCc1nnnn1-c1ccccc1)O[C@@H](C)C2 32909493 NYAIUPFKSLPUNT-AWEZNQCLSA-N 382.489 3.818 0 40 GHAB COCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 12138081 KUCDWABDLNEJAI-UHFFFAOYSA-N 389.473 3.691 0 40 GHAB COc1ccccc1CC(=O)NC[C@H]1CC[C@H](c2ccnc3cc(C)nn32)CC1 100159337 ULCCQDBABMKOJL-HDICACEKSA-N 392.503 3.679 0 40 GHAB CC(=O)Nc1ccc(NC(=O)C[C@H]2Nc3cccc4cccc(c34)NC2=O)cc1 646838 QJFUPNCWTKRSMK-LJQANCHMSA-N 388.427 3.560 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2c(C)cc(C)cc2C)cc1 8626041 TWOKEPLBPFVLAC-UHFFFAOYSA-N 388.485 3.510 0 40 GHAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N1CCCCC1 829969 QMACTDMBXMWFHB-UHFFFAOYSA-N 392.908 3.548 0 40 GHAB O=C(CSc1nncn1C1CC1)N[C@H](c1ccc(F)cc1)c1cccs1 9983728 FKMBHVVLRMEGGJ-QGZVFWFLSA-N 388.493 3.812 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C 22991094 SJEAXSYQUNBYNJ-OAHLLOKOSA-N 380.492 3.712 0 40 GHAB CC(C)Oc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 20456631 ULJWMXQRWREHMZ-UHFFFAOYSA-N 382.869 3.751 0 40 GHAB Cc1ccc(C(=O)NCCN2CCC(C)CC2)cc1NC(=O)c1ccccc1 47672127 PTSWQJDHXKPGEQ-UHFFFAOYSA-N 379.504 3.709 0 40 GHAB COc1ccc(Nn2c(N)nn(CC(=O)c3c(C)cc(C)cc3C)c2=S)cc1 28535161 NDINNUCFSHOAQR-UHFFFAOYSA-N 397.504 3.688 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)c1cc(F)c(Cl)cc1Cl 25166555 WARVHPNYOOUSSD-UHFFFAOYSA-N 385.222 3.761 0 40 GHAB COc1ccc(/C=C/c2nc3s/c(=C\c4ccccc4Cl)c(=O)n3n2)cc1 27022194 ZBAWLMMGVMRVNH-JUBDITTISA-N 395.871 3.531 0 40 GHAB NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 10407901 JLVXVGKKCQUJOC-UHFFFAOYSA-N 379.441 3.549 0 40 GHAB O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)Nc1ccc(F)cc1 58176670 NCIJMROIYXFEOF-UHFFFAOYSA-N 398.869 3.788 0 40 GHAB O=C(Nc1ccn(Cc2ccccc2)n1)N(Cc1cccnc1)C[C@H]1CCCO1 58268890 RXFKRDKAOJKRLO-HXUWFJFHSA-N 391.475 3.540 0 40 GHAB O=C(COC(=O)COc1ccc(-c2ccccc2)cc1)NCc1cccs1 3321023 QMJJAXWRIVNMMN-UHFFFAOYSA-N 381.453 3.654 0 40 GHAB C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 10322528 QCOOFMZGGVSSKU-CQSZACIVSA-N 390.468 3.820 0 40 GHAB O=C(c1ccccc1Nc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1 45075320 VHOGTMAEEBVTHF-UHFFFAOYSA-N 377.488 3.905 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1F 12733760 NLLHUUODLNBDJD-ZDUSSCGKSA-N 393.409 3.513 0 40 GHAB O=C(CCc1nnc(-c2ccsc2)o1)NCc1ccccc1OC(F)(F)F 12747498 GEEIAIUMYCUASU-UHFFFAOYSA-N 397.378 3.946 0 40 GHAB CCC(=O)Nc1ccc(-c2csc(NC(=O)Cc3c(C)nn(C)c3C)n2)cc1 10820789 GVVSRAXWCLKVGC-UHFFFAOYSA-N 397.504 3.690 0 40 GHAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)NCc1ccccn1 9422692 MVPZRDRZBBEGKW-UHFFFAOYSA-N 386.407 3.550 0 40 GHAB biogenic CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1 12934899 MYHIOWDBSDMWDN-UHFFFAOYSA-N 379.441 3.956 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N(C)C(c2ccccc2)c2ccccc2)c1 12923100 PCBLENJQQQHCEO-UHFFFAOYSA-N 395.480 3.883 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 13100789 WIBZUXUJOMWDQO-UHFFFAOYSA-N 396.896 3.546 0 40 GHAB CCOc1ccccc1C(=O)NCCCC(=O)Nc1nc2c(s1)CCCC2 18946582 KWEPWMVFJOQFAO-UHFFFAOYSA-N 387.505 3.569 0 40 GHAB C[C@H](C(=O)N1CCCC1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 6043828 DXCOVXIXSICLHC-OPAMFIHVSA-N 387.483 3.734 0 40 GHAB Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccc(C)c(C)c3)nc2)cc1 64942592 DNDMQBBOGYKLBQ-UHFFFAOYSA-N 394.496 3.770 0 40 GHAB Cc1ccc(OCc2nn3c([C@H]4COc5ccccc5O4)nnc3s2)cc1 4384013 ZFBVBLNJIQZTBE-MRXNPFEDSA-N 380.429 3.586 0 40 GHAB COc1ccccc1NC(=O)Cc1noc(CN[C@H](c2ccccc2)C(C)C)n1 39992558 RNTJZHWPEFQTNA-QFIPXVFZSA-N 394.475 3.746 0 40 GHAB Cc1ccc(-c2nc(C(=O)Nc3cc(F)cc(N4CCOCC4)c3)cs2)o1 65478156 RTHXQYQQFVZNDS-UHFFFAOYSA-N 387.436 3.940 0 40 GHAB CC1CCC(NC(=O)COc2ccccc2C(=O)NCc2ccccc2)CC1 6462478 KLZWSRLLCUFZNS-UHFFFAOYSA-N 380.488 3.690 0 40 GHAB COC(=O)c1cc(CNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC 14229024 QDRHDWPRHSFRMD-UHFFFAOYSA-N 389.451 3.930 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H](NCc2nnc3ccccn23)c2ccccc2)c1 14242555 DLBQLAPYKALQRB-JOCHJYFZSA-N 385.471 3.816 0 40 GHAB CCOC(=O)C1=NN(c2ccccc2)[C@]2(SCC(=O)N2c2ccccc2)S1 4670928 MPFKCWIQIGLIHV-LJQANCHMSA-N 399.497 3.508 0 40 GHAB Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c(C)c1 14574380 SPURKKPQZIJWTN-UHFFFAOYSA-N 390.365 3.920 0 40 GHAB CC(C)CC(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 6661529 DMJZCVGSLXZQMR-KRWDZBQOSA-N 393.480 3.648 0 40 GHAB CCC1CCC(C(=O)N[C@H](C(=O)NCCCN2CCCC[C@@H]2C)C(C)C)CC1 4778480 PHMYQMYDBRMTEN-HAMDTZRPSA-N 393.616 3.724 0 40 GHAB COc1ccc(-c2csc(NC(=O)CCC(=O)O)c2C(=O)OC(C)C)cc1 5727275 UNRKFGKRTSENOS-UHFFFAOYSA-N 391.445 3.792 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2cc(C)ccc2N)cc1Br 4865433 NNQXUOYYEFMWOX-UHFFFAOYSA-N 385.283 3.539 0 40 GHAB C[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2cccc(C(F)(F)F)c2)C1=O 4811506 LSOOPFQAHVSZKC-BTDLBPIBSA-N 378.375 3.979 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3c(C)noc3C)n2)cc1 6881886 FDMRQCXJIRSOIR-UHFFFAOYSA-N 384.461 3.945 0 40 GHAB CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)nc1C 4911081 AUNFBNTWQWALFL-SNVBAGLBSA-N 390.490 3.624 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2C)cc1 9237253 KJJXMVZLTINCFC-QZTJIDSGSA-N 379.489 3.601 0 40 GHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2C[C@@H]1C 20449244 HYKQBOUVQLKZAT-INIZCTEOSA-N 386.517 3.965 0 40 GHAB O=C1N/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1ccccc1 409206520 KLLKCPWTTALPDE-OQLLNIDSSA-N 375.197 3.681 0 40 GHAB C[C@H](NC(=O)c1cc2c(nc3sccn32)s1)c1ccc2c(c1)OCCO2 7138543 BRWJWZOHFSVGOA-JTQLQIEISA-N 385.470 3.873 0 40 GHAB C[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1cc(F)c(Cl)cc1Cl 7139310 KJRJZXBPGCGZEE-MRVPVSSYSA-N 380.206 3.860 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)cc2OC)c1 15619214 UPAFSXUSEABCIE-ACCUITESSA-N 382.460 3.838 0 40 GHAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccccc1Br 7552514 HJHYLXIAGKUVEF-OAHLLOKOSA-N 379.254 3.515 0 40 GHAB CCOc1ccc(CN2Cc3cc(Br)ccc3OCC2=O)cc1 65184425 YUPDSRAZAXLYIQ-UHFFFAOYSA-N 376.250 3.769 0 40 GHAB Cc1ccc(CN(C)C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)o1 7692133 YXTUNQJMLDZJAG-UHFFFAOYSA-N 382.489 3.797 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 7670023 QMUPYXLTDXJGPY-SFHVURJKSA-N 392.908 3.830 0 40 GHAB CN1CCCc2cc(NC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3)ccc21 68313975 HTEVENKTZOTFAW-FQEVSTJZSA-N 378.476 3.704 0 40 GHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1coc(-c2cccs2)n1 8133696 KQUQTUQFFNBTQN-FQEVSTJZSA-N 379.441 3.687 0 40 GHAB Cc1ccc(-c2noc(Cn3ccn4nc(-c5cccs5)cc4c3=O)n2)cc1 16842789 FXPDDILHIQFQHW-UHFFFAOYSA-N 389.440 3.631 0 40 GHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(OC)c(F)c2)C1=O 9500821 UPFFREKUFUQMKJ-IBGZPJMESA-N 376.815 3.845 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(N2CCCC2=O)cc1 9534693 OOBLJMXDHBQGBU-UHFFFAOYSA-N 392.484 3.570 0 40 GHAB COc1ccc(CNC(=O)CSc2ncnc3c2[nH]c2ccc(C)cc23)cc1 72331970 PTFIRGMBXYWSNZ-UHFFFAOYSA-N 392.484 3.837 0 40 GHAB CCc1nsc(N2CCCN(C3CCC(C(=O)OC(C)(C)C)CC3)CC2)n1 95457141 JRNOWZLKTFROEL-UHFFFAOYSA-N 394.585 3.513 0 40 GHAB Cc1ccccc1-n1cnnc1SCC(=O)c1ccc2c(c1)OCCCO2 9944388 IFBJLZJWIWWJKH-UHFFFAOYSA-N 381.457 3.712 0 40 GHAB C[C@H](CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccccc1 22832722 NHRVBNQURRAXTF-DYESRHJHSA-N 388.467 3.767 0 40 GHAB COc1c(C)cc(Br)cc1C(=O)Nc1cc(C)c(O)c(C(=O)O)c1 20143119 IAAHLRJCYSAMMN-UHFFFAOYSA-N 394.221 3.731 0 40 GHAB C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 1557941830 OYIQBJUYZUSMDZ-MJGOQNOKSA-N 388.826 3.864 0 40 GHAB Cc1nc(NCc2cccc(NC(=O)C3CCCCC3)c2)c2cnn(C)c2n1 68999079 PBEWQBNCNLLQPT-UHFFFAOYSA-N 378.480 3.803 0 40 GHAB COc1ccc(Cc2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 35288768 UPWLLYBBSMTJJL-UHFFFAOYSA-N 378.453 3.873 0 40 GHAB O=C(Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1)c1cccs1 33067755 KVQSBAKZTXNIJF-UHFFFAOYSA-N 377.425 3.587 0 40 GHAB O=C1C[C@H](C(=O)Nc2ccccc2Cl)n2ncc(-c3ccc(F)cc3)c2N1 32088825 JNAOOCMMZBCQID-MRXNPFEDSA-N 384.798 3.865 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCSc2ccc(F)cc21 31499008 BJCHZOKVJDEECA-HNNXBMFYSA-N 379.478 3.586 0 40 GHAB O=S(=O)(c1cccs1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219345933 LJFIQGSUXIQAFF-AWEZNQCLSA-N 375.487 3.895 0 40 GHAB Cc1nc([C@H]2CCN(C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)c3)C2)n[nH]1 564188402 NNFFNEWVBSEURK-SFHVURJKSA-N 389.459 3.736 0 40 GHAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 223665258 IGMQNCLHMCPXQO-UHFFFAOYSA-N 389.473 3.768 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C 225699353 PMGYQMLXNPHOTF-HXUWFJFHSA-N 382.504 3.706 0 40 GHAB COc1ccc([C@@H](C)NC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)cc1F 527636853 YBWGZNNNKHNDSN-OAHLLOKOSA-N 396.466 3.908 0 40 GHAB CCc1ccc(N([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 220273121 RDIPHRHOKAPXDM-GFCCVEGCSA-N 398.887 3.835 0 40 GHAB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)Cc1cccs1 224567522 ZNSRNWVPWFJNBR-UHFFFAOYSA-N 392.278 3.762 0 40 GHAB CC[C@H](C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224265106 ICHKWAOZWLTTJF-ZDUSSCGKSA-N 380.897 3.693 0 40 GHAB Cc1nc(NC(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)ccc1-c1ccccc1 582888851 RIWQBRIPNVICBH-PKOBYXMFSA-N 391.475 3.832 0 40 GHAB O=C1CS[C@H](c2ccc(F)c(Cl)c2)c2c(O)nn(C3CCOCC3)c2N1 96117266 IHPGZVFAECKMRP-OAHLLOKOSA-N 397.859 3.507 0 40 GHAB O=C(Nc1cccnc1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 96037669 UNILHCSKVVIZGY-UHFFFAOYSA-N 388.475 3.603 0 40 GHAB CNc1nccnc1[C@H]1CCCN1Cc1ccc(-c2ccccc2C(=O)O)o1 257205564 AZQSONVUEIEEON-QGZVFWFLSA-N 378.432 3.814 0 40 GHAB CC(C)c1ccc(NC(=O)c2cc(=O)[nH]n3c(N)nc(-c4ccccc4)c23)cc1 253495638 LZNVVOMYBCWCOI-UHFFFAOYSA-N 387.443 3.648 0 40 GHAB Cc1cc(Cc2ccccc2)cc([C@@H]2CN(Cc3cn(C)nc3C)CCO2)n1 257344733 ZYLRGWYVHNNCHZ-QHCPKHFHSA-N 376.504 3.596 0 40 GHAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 260828168 LXMKQEITZPNBNN-CYBMUJFWSA-N 380.897 3.617 0 40 GHAB O=C(Cc1nsc2ccccc12)N1CCC(n2ccc(C(F)(F)F)n2)CC1 644699690 ZAVPWFUNFBKBQF-UHFFFAOYSA-N 394.422 3.918 0 40 GHAB COc1ccc(Br)c(C(=O)NC[C@](C)(OC)c2ccccc2F)c1 96123522 WENCZBJNEAIDNZ-SFHVURJKSA-N 396.256 3.888 0 40 GHAB O=S(=O)(c1ccc(Cl)s1)N1CCC(CSc2ccccn2)CC1 90608071 VOGRHISCGPKJAT-UHFFFAOYSA-N 388.967 3.990 0 40 GHAB Cc1ccc([C@@H](O)c2cccc(F)c2N2CCN(Cc3cccs3)CC2)nc1 72340726 CWSTXQATYILZMI-QFIPXVFZSA-N 397.519 3.995 0 40 GHAB Cc1ccc(C)c(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615125098 YWRIGASCQQCYCU-UHFFFAOYSA-N 382.479 3.841 0 40 GHAB CCn1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1C 982443 LMDSNGDIEHFFDM-GZTJUZNOSA-N 383.473 3.800 0 40 GHAB Cc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 5163559 GWWOGPRNWFCWKK-NRFANRHFSA-N 385.529 3.948 0 40 GHAB CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 5215410 RRCKMQLZGKWNPR-HNNXBMFYSA-N 387.501 3.668 0 40 GHAB c1csc(-c2nc(NCCN3CCCCCC3)ncc2-c2cnccn2)c1 12337061 BUKWWLGGUPUAHA-UHFFFAOYSA-N 380.521 3.950 0 40 GHAB CC[C@H](C(=O)Nc1cccc(Cl)c1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715432 PNDWBQCSKKHCRW-QGZVFWFLSA-N 398.887 3.971 0 40 GHAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1C(=O)NC2(CCCC2)C1=O 14164309 ZUTDCZPASCKXAJ-OAHLLOKOSA-N 377.444 3.545 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)c(Br)c1 15332155 YOARPIYUTGVJGR-LLVKDONJSA-N 378.222 3.892 0 40 GHAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 18074897 DINODFRDOHSZLD-CQSZACIVSA-N 378.266 3.720 0 40 GHAB C[C@H]1CC[C@@H]2C(=O)N(c3ccccc3OCC(=O)c3ccccc3)C(=O)[C@@H]2C1 18241494 NQUSDZVGNBFUCT-RYQLBKOJSA-N 377.440 3.874 0 40 GHAB CCc1nccn1[C@H](C)C(=O)N1CCC(COc2ccc(Cl)cc2)CC1 19666311 PHVJVQBVIXFIIO-OAHLLOKOSA-N 375.900 3.978 0 40 GHAB CCN(C(=O)c1ccccn1)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C)CC2)C1 19712637 WGNKCOXQELRGEP-UNMCSNQZSA-N 393.531 3.928 0 40 GHAB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1C(C)C 19818583 RCRKSMQBCNHLPT-VQTJNVASSA-N 391.471 3.960 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cc(C)no3)cc2N1 12181336 RKJVSLPTRAHBGU-OSAQELSMSA-N 397.401 3.854 0 40 GHAB Cc1nccn1CC1CN(c2ncc(C(F)(F)F)cc2Br)C1 1889091607 TUOHYYUARGDQEA-UHFFFAOYSA-N 375.192 3.504 0 40 GHAB Cc1cccc2c(CC(=O)N3CCC4(CC3)C[C@@H](N)c3ccccc3O4)c[nH]c12 1122319503 JCPZRLJVOLFEQY-HXUWFJFHSA-N 389.499 3.863 0 40 GHAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)CCc1ccccc1 28198532 FYVMNBACBIBIFV-XLIONFOSSA-N 384.545 3.676 0 40 GHAB CSc1nc2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2s1 5721425 QEZRQHCUQRZVMK-UHFFFAOYSA-N 397.481 3.924 0 40 GHAB CCCN1C(=O)CCc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc21 9107164 BXBHOGVOJYAGME-UHFFFAOYSA-N 376.412 3.735 0 40 GHAB O=C(NCc1ccc(F)cc1)N1CCC[C@H](COc2ncccc2Cl)C1 1890298557 XKDGYGIPAXGZCI-HNNXBMFYSA-N 377.847 3.875 0 40 GHAB O=C(c1ccccc1)c1ccc(CNS(=O)(=O)c2cccc(F)c2)s1 211085871 ABWFNWWUGDQTLN-UHFFFAOYSA-N 375.446 3.597 0 40 GHAB Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1F)=NC2 33827243 VOZDBDBHBXLWCG-UHFFFAOYSA-N 377.242 3.890 0 40 GHAB O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1C[C@H]1CCCO1 40024916 CJVUTLGRYZUFLH-IIBYNOLFSA-N 392.434 3.961 0 40 GHAB CC[C@@H](C(=O)Nc1cc(OC)cc(OC)c1)n1nc(-c2ccccc2)ccc1=O 20095662 JVTBDCASTMKUCF-FQEVSTJZSA-N 393.443 3.517 0 40 GHAB CN1c2ccsc2C(O)=C(C(=S)Nc2ccc(Cl)cc2)S1(=O)=O 100911006 OIXDGQDMKITYHV-UHFFFAOYSA-N 386.907 3.847 0 40 GHAB O=C(NC1CCCC1)N(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1 32642683 ZBTDWUYSQLCWSB-UHFFFAOYSA-N 393.896 3.578 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2C)c1 2720116 YERSOEJRZOQFDW-UHFFFAOYSA-N 392.484 3.762 0 40 GHAB Cc1ccc(N2C(=O)N(Cc3nc(-c4ccc(F)cc4)no3)C(=O)[C@H]2C)cc1 32731666 BEIFNSSQROZYEG-CYBMUJFWSA-N 380.379 3.541 0 40 GHAB O=C1C(=O)N(Cc2ccccc2Br)c2ccc(Br)cc21 4554846 SMBSOMYSSCZXRU-UHFFFAOYSA-N 395.050 3.941 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1-c1cc(C)ccc1C 4855028 AUASQHSPPJMITQ-UHFFFAOYSA-N 395.532 3.907 0 40 GHAB CC(=O)c1sc(NC(=O)Cc2ccc3c(c2)OCCO3)nc1-c1ccccc1 6235238 CJPYOHULJXOZHN-UHFFFAOYSA-N 394.452 3.965 0 40 GHAB COc1ccc(CC(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1OC 6566066 AYSRQSAAFAJBRI-SUMDDJOVSA-N 392.492 3.794 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 6640438 OADLYCUAWYTPBF-UHFFFAOYSA-N 381.306 3.531 0 40 GHAB O=C(Nc1ccc2oc(C3CC3)nc2c1)C(=O)N[C@@H](c1ccccc1)C1CC1 41217474 XJEYQLQEDKNCGX-IBGZPJMESA-N 375.428 3.911 0 40 GHAB CCCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)cc1 7668879 ORRKJKUKVQZDJR-UHFFFAOYSA-N 381.432 3.806 0 40 GHAB O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)Nc1cccc2ccccc12 7940201 UAEHOGYARIMCGF-KRWDZBQOSA-N 394.471 3.503 0 40 GHAB COCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2C)n1 8476462 XGIRCCHHXSVERA-UHFFFAOYSA-N 384.867 3.581 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O)N1CCCCC1 106756136 UOLUJGKROPEPDB-UVTDQMKNSA-N 398.406 3.754 0 40 GHAB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1 812030 XBVGDRIGMKFMES-UHFFFAOYSA-N 385.895 3.897 0 40 GHAB Cc1cc(C(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)c(C)c1C 23541135 BDUYFSYCMGFXDA-UHFFFAOYSA-N 395.377 3.527 0 40 GHAB CCN(c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1)C(C)C 23053526 VQTXYGIGALKCND-UHFFFAOYSA-N 390.487 3.779 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)nc1)c1cccc(Oc2ccccc2)c1 24903762 MVYDXIVYMCOPIB-UHFFFAOYSA-N 375.428 3.963 0 40 GHAB Cc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)c(C)c1 24926083 IEUUDYLWLWGEFS-QHCPKHFHSA-N 391.471 3.629 0 40 GHAB Cc1cccc(OCCC(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1C 25085817 YTCJIWWAKKKUCX-UHFFFAOYSA-N 399.466 3.588 0 40 GHAB CC[C@H](NC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O)c1ccc(C)cc1 20483268 OQJKZOZNIXZLHH-VQTJNVASSA-N 388.533 3.807 0 40 GHAB O=C(Nc1ccc(Br)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 25506091 XOUAKEUTCRBTJX-MRXNPFEDSA-N 389.249 3.819 0 40 GHAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O 57427194 QPTJJMXROKDITL-UHFFFAOYSA-N 399.516 3.589 0 40 GHAB CC(=O)N1CCc2cc(C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)n3)ccc21 108312382 SCRORSHKJCWOCL-UHFFFAOYSA-N 399.450 3.845 0 40 GHAB Cc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 12796563 JGKCSVXYEAWARV-UHFFFAOYSA-N 386.517 3.741 0 40 GHAB CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 2151809 OFFLAFFMIABAGV-OAHLLOKOSA-N 375.421 3.700 0 40 GHAB biogenic CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cccc(F)c1 20798556 VNRXGOFELYRHJD-SFHVURJKSA-N 396.418 3.654 0 40 GHAB Cc1cccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)c1 2290718 AUPAZKGADRLKID-UHFFFAOYSA-N 397.438 3.987 0 40 GHAB COc1ccc(OC)c(CCN2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)c1 2283347 WWSGBYITWMDXNJ-MRXNPFEDSA-N 387.863 3.518 0 40 GHAB CCCn1nc(C(=O)N2CCC(c3cccc4ccccc34)CC2)ccc1=O 58725398 LJBXLPUPCUQGIP-UHFFFAOYSA-N 375.472 3.826 0 40 GHAB CCCCCN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 2421371 VOMZMCCQWPREAO-UHFFFAOYSA-N 388.518 3.854 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 11215614 UDITWBYJRAIXRD-HNNXBMFYSA-N 390.487 3.709 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 12762038 ADPWMQDDANDZDX-CQSZACIVSA-N 383.473 3.539 0 40 GHAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(-n2cncn2)cc1 11406925 DOYCRINXOBVBFM-INIZCTEOSA-N 387.443 3.732 0 40 GHAB CCOc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(OCC)c1 409231849 KZRZKOKPLLTSEJ-XDHOZWIPSA-N 380.444 3.885 0 40 GHAB Cc1sc2ncn(C[C@@H](O)CO[C@H](C)c3ccc(Cl)cc3)c(=O)c2c1C 29333174 FRSIHCGMWFJONV-MLGOLLRUSA-N 392.908 3.867 0 40 GHAB C[C@]1(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1(Cl)Cl 3502076 MNUYZWZNSAWPOC-GFCCVEGCSA-N 386.153 3.651 0 40 GHAB Cc1nc(-c2ccc(CNC(=O)c3cccc(S(C)(=O)=O)c3)s2)cs1 12942187 GMMUKRZSOYWSHP-UHFFFAOYSA-N 392.527 3.514 0 40 GHAB COc1ccc(Br)cc1COC(=O)c1cccc(NC(C)=O)c1 8371837 FQLWNWGLTPYJAT-UHFFFAOYSA-N 378.222 3.773 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccnc(N2CCCC2)c1 13012837 ZRYJYLGDLZPAAU-UHFFFAOYSA-N 393.466 3.553 0 40 GHAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCCSc1ccccc1 8361223 YLIHYBMNLUENRC-UHFFFAOYSA-N 386.561 3.618 0 40 GHAB C[C@H](C(=O)Nc1cccc2ccccc12)N1CCN(c2ccccc2O)CC1 13137520 NXKYWMFULCEQNC-QGZVFWFLSA-N 375.472 3.695 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2cc(N)ccc2C)cc1Br 3885631 RYDJUQGNBWTTCU-UHFFFAOYSA-N 385.283 3.539 0 40 GHAB CCCCc1nc(-n2cccc2)sc1C(=O)Nc1nnc(COC)s1 49544323 CHEFLQROPQKHQQ-UHFFFAOYSA-N 377.495 3.527 0 40 GHAB CC(=O)c1cccc(OCCN2CCN(c3nsc4ccccc34)CC2)c1 13735797 NETIWIZYQPNGFX-UHFFFAOYSA-N 381.501 3.700 0 40 GHAB CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1CCCc2occc21 69548859 YSLDWGPDCXSKBB-WOJBJXKFSA-N 380.488 3.773 0 40 GHAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NCc1ccccc1F 6260677 HWHJKRNAEZBQQK-UHFFFAOYSA-N 390.414 3.672 0 40 GHAB COc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OCc1c(F)cccc1Cl 4573321 JSSARJZMIKOZJM-YOEHRIQHSA-N 397.855 3.855 0 40 GHAB O=C([C@H](Sc1nnnn1Cc1ccccc1)c1ccccc1)N1CCCCC1 14245607 VIRBLIXISIGLAF-LJQANCHMSA-N 393.516 3.567 0 40 GHAB O=C(COc1ccc(F)cc1)Nc1nonc1-c1ccc(Br)cc1 27583034 KFBVJRAFVQLXMT-UHFFFAOYSA-N 392.184 3.656 0 40 GHAB COc1ccc(Nc2nc(OC)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 4618922 XRJQPAXEKDAPCG-UHFFFAOYSA-N 398.263 3.504 0 40 GHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccsc3)C2=O)cc1 409089531 MVBIZAXCRCEULS-OQLLNIDSSA-N 388.470 3.822 0 40 GHAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1ncc(-c2ccccc2)o1 6605858 KZKOLNVDLVIOOW-FQEVSTJZSA-N 379.441 3.687 0 40 GHAB COc1ccc2c(C)c(CCC(=O)NCCc3ccc(F)cc3)c(=O)oc2c1C 4743556 NBBKCEUJHOSWBR-UHFFFAOYSA-N 397.446 3.849 0 40 GHAB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(C)cc3)C[C@@H]21 4862918 VNFGRVKZTKMKQK-FQEVSTJZSA-N 377.488 3.969 0 40 GHAB CCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@H]1c1ccc(OC)cc1 4816984 MOFCTCKTOPCRAO-RBUKOAKNSA-N 392.459 3.773 0 40 GHAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nnc(C(C)(C)C)s1 4815774 ZNXLILTYFBCLEX-UHFFFAOYSA-N 382.873 3.708 0 40 GHAB COc1cccc(CNC(=O)CSc2nnc3cc(C)c4ccccc4n23)c1 5885175 QWMYVLOAVOPTEY-UHFFFAOYSA-N 392.484 3.608 0 40 GHAB Ic1ccccc1-c1nn2c(-c3ccco3)nnc2s1 4938810 KCVOSCLWORCSTL-UHFFFAOYSA-N 394.197 3.717 0 40 GHAB COc1ccccc1-n1c(SCC(=O)c2ccc[nH]2)nnc1N1CCCCC1 8720499 NGQMRXSRSCPYEC-UHFFFAOYSA-N 397.504 3.569 0 40 GHAB Cc1csc(C2(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)CCC2)n1 72286071 ZSIUKYYPVAJTDK-UHFFFAOYSA-N 378.501 3.935 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1F 18237142 DQOFZSQBJQLMTE-INIZCTEOSA-N 375.350 3.680 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1nnc(-c2ccccc2)o1 7315615 DRFUUISHSQLTPB-LJQANCHMSA-N 389.411 3.744 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)c1 9237888 KSVKNHBQJWQSSO-QZTJIDSGSA-N 379.489 3.601 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCCc1ccc2c(c1)OCCO2 9337162 ZMTWYCQBMACUBN-UHFFFAOYSA-N 393.483 3.658 0 40 GHAB C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C(F)(F)F 118911145 WDBDMOCINHCAEN-GOSISDBHSA-N 379.334 3.931 0 40 GHAB Cc1csc(-c2ccc(NC(=O)c3ccc(OCCN(C)C)nc3)cc2)n1 78869176 FCUZHVZIIBXFOW-UHFFFAOYSA-N 382.489 3.706 0 40 GHAB CC(C)(C)n1ncc(NC[C@H](O)c2ccccc2C(F)(F)F)c(Cl)c1=O 71846819 WOUUAECAPDZFAP-ZDUSSCGKSA-N 389.805 3.816 0 40 GHAB O=C(NCC1(c2ccc(F)cc2)CCCCC1)c1n[nH]c(=O)c2ccccc12 72021379 IKFWAHFSNSPCAN-UHFFFAOYSA-N 379.435 3.694 0 40 GHAB COc1cc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)cc(OC)c1OC 9899917 ZEPMYPPUUGRZEM-CMDGGOBGSA-N 392.455 3.792 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC(C)(C)C)cc1 95460464 RAJOSZXODNWDQU-UHFFFAOYSA-N 375.446 3.645 0 40 GHAB C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(c2nnc[nH]2)CC1 95964368 GADUYZMUQCSPRX-NSHDSACASA-N 392.385 3.814 0 40 GHAB CC(=O)Nc1nc(CN2CCC[C@@H]2[C@@H]2CCCN2Cc2ccccc2)cs1 89265667 KMSPXAHGCLQCDC-VQTJNVASSA-N 384.549 3.731 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC(C)C)ccc1Cl 409384024 WNKMHSMWABLPHT-UHFFFAOYSA-N 380.897 3.835 0 40 GHAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(O)c(C(=O)O)c1 408569301 MZTMZSROLIGFSB-UHFFFAOYSA-N 391.470 3.587 0 40 GHAB Cc1ccc(-c2cnc3n2C2(CCN(C(=O)c4ccoc4)CC2)COC3)cc1 306131111 JWYLWHSAJSECKF-UHFFFAOYSA-N 377.444 3.613 0 40 GHAB O=C(c1ccccc1F)N1CC[C@@]2(C1)Cn1c(-c3cccc(F)c3)cnc1CO2 306139550 TTWDKXAPJWBENT-JOCHJYFZSA-N 395.409 3.643 0 40 GHAB COC(=O)CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N1 408986694 CYOSJJKUBRHMNN-LJQANCHMSA-N 395.484 3.506 0 40 GHAB CCOC(=O)C1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@](O)(C(C)(C)C)C1 408977313 VHHSTUCRTITFPC-QHCPKHFHSA-N 394.471 3.853 0 40 GHAB CNC(=O)Cn1ccc2ccc(NC(=O)N3CCc4cccc(F)c4[C@@H]3C)cc21 525741660 AXEPVICUTOSQSL-AWEZNQCLSA-N 394.450 3.678 0 40 GHAB C=CCN1CC(=O)N2[C@@H](CCc3ccccc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 6303602 UIBZHDCBERELPA-FCHUYYIVSA-N 399.494 3.623 0 40 GHAB biogenic Cc1nc(-c2ccc(NC(=O)c3cc(-c4ccc(C)o4)[nH]n3)cc2Cl)n[nH]1 539413250 JCYMPQWRECYKAF-UHFFFAOYSA-N 382.811 3.977 0 40 GHAB C[C@@H](Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)O)c1ccccc1 217565034 NJDBECKHCUUVIP-CYBMUJFWSA-N 376.478 3.635 0 40 GHAB C[C@@H]1OCc2cc(=O)n([C@H](C)C(=O)Nc3ccccc3-c3ccccc3)nc21 72342392 DZQQZDCDZUXDCK-CABCVRRESA-N 375.428 3.701 0 40 GHAB CCOC(=O)[C@@H]1C[C@@H]2C(=O)CCCC[C@@H]2N1C(=O)Nc1cccc(Cl)c1 219775564 MCABGNJYIIYVCI-JYJNAYRXSA-N 378.856 3.637 0 40 GHAB Cc1nc(NC(=O)c2ccc(-n3cccc3)cc2)sc1-c1nnc(S)n1C 44380274 VIKAJPSZFCFTRG-UHFFFAOYSA-N 396.501 3.579 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1C 225457252 FCWJHAIWQBNKHX-UXHICEINSA-N 380.532 3.912 0 40 GHAB Cc1ccccc1CN(C(=O)COc1cccc(C)c1C)[C@H](C)C(=O)NC(C)C 225495287 UJAIRGACYSTZQI-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)c(Br)c1 42646397 AMCYKWJLPICSNH-UHFFFAOYSA-N 381.657 3.666 0 40 GHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3ccc(F)cc3)ccc21 225712648 ATUWHMBLKYTFRF-LBPRGKRZSA-N 394.493 3.823 0 40 GHAB COc1ccc(Br)cc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1 224084666 FRJUIIYCYYSTGB-BRWVUGGUSA-N 391.353 3.788 0 40 GHAB Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1Cl 48279002 RYYPVIFCBDPMED-ZIAGYGMSSA-N 395.908 3.697 0 40 GHAB Cc1ccccc1OC[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44852532 XAJDMVMWLBNLBV-ICSRJNTNSA-N 384.495 3.930 0 40 GHAB CC(C)c1nocc1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 528651361 GICXCBXFVBCVIP-UHFFFAOYSA-N 377.750 3.674 0 40 GHAB O=C1CCCN1Cc1ccc(CNC(=S)Nc2ccc(F)cc2F)cc1 225649021 ZPZGBXJQOOLCLA-UHFFFAOYSA-N 375.444 3.574 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc21 223111969 STXIUSULWSNQMH-UHFFFAOYSA-N 393.415 3.554 0 40 GHAB Cc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1 223644863 MBGHTNWNNYATMZ-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 223994591 RHQWOWSNRODWMD-VQTJNVASSA-N 391.500 3.556 0 40 GHAB CCC(=O)N(Cc1cccc(OC)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 223024168 JHRDWRBPEPCPDC-JOCHJYFZSA-N 396.531 3.817 0 40 GHAB O=C(c1cccc(C(F)(F)F)c1)N1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 96238383 SUVQNFMQEMMWCW-FQEVSTJZSA-N 388.389 3.975 0 40 GHAB Cc1noc(C)c1CN1CCC[C@@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 96216037 LQHAJEZZABWAEI-HSZRJFAPSA-N 392.503 3.901 0 40 GHAB Cc1occc1C(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CC1)c1ccccc12 96242290 UQGBGFQEKKRUBO-QGZVFWFLSA-N 392.499 3.918 0 40 GHAB C[C@@H](NC(=O)Nc1cccnc1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 96297069 DFQMDGUARSJORI-SNVBAGLBSA-N 386.795 3.971 0 40 GHAB biogenic,in-vitro Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2sc(C(C)C)nc2C)cc1 642362381 BUJKWAXQVOYAKH-GOSISDBHSA-N 387.549 3.687 0 40 GHAB CO[C@@H](CN(c1ccc(Br)cc1Cl)S(C)(=O)=O)C1CCC1 663985490 UJHKIWIHHKIVHV-AWEZNQCLSA-N 396.734 3.684 0 40 GHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1cnc2ccccn12)C1CC1 96097144 XWBBAKJCBXLWJC-UHFFFAOYSA-N 395.406 3.706 0 40 GHAB COc1ccc(CNC(=O)Nc2ccc(N3CCC(OC)CC3)cc2)cc1OC 96104525 ZPJJJPBRMQVTMA-UHFFFAOYSA-N 399.491 3.641 0 40 GHAB COC1CCN(c2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2)CC1 96382313 UODLKKWLJKDLRQ-UHFFFAOYSA-N 394.924 3.897 0 40 GHAB O=S(=O)(N[C@H](c1ccsc1)c1cccs1)c1ccc2c(c1)CCO2 390826380 JLGHRLXKRDBODK-QGZVFWFLSA-N 377.512 3.812 0 40 GHAB COc1ccc(C2(CNC(=O)C3(N)CC4(CCC4)C3)CCCCC2)cc1OC 659259273 LBDTVABJQVFWSQ-UHFFFAOYSA-N 386.536 3.684 0 40 GHAB Cc1ccc(C)c(CN2CCOC[C@]3(CC(=O)N(Cc4ccccc4)C3)C2)c1 585103978 HTNOKFGHGKMTGV-XMMPIXPASA-N 378.516 3.555 0 40 GHAB Cc1cccc(OC[C@@]2(O)CN([C@H]3CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)c1 585284250 WGFLYQPMEXEKOC-TWVZQSRDSA-N 395.543 3.898 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC(O)CC4)cc3)cc2c1 72396150 ZIVJKRVUWJNZDW-UHFFFAOYSA-N 393.487 3.500 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615157911 OQTCSQXWSYDFBR-JOCHJYFZSA-N 383.467 3.893 0 40 GHAB COc1ccc(-n2ccnc2SCC(=O)N2CCC(c3ccccc3)=N2)cc1 5262967 JQPBJKINWJHNPN-UHFFFAOYSA-N 392.484 3.610 0 40 GHAB CCOc1ccc(NC(=O)CSc2nc(CNc3ccc(C)cc3)n[nH]2)cc1 5444515 LVVMBUSVUIWWQD-UHFFFAOYSA-N 397.504 3.855 0 40 GHAB Cn1ncc2c1CCc1sc(NC(=O)c3nsc(Cl)c3Cl)nc1-2 12291885 IKCZPCCUKSBYEB-UHFFFAOYSA-N 386.289 3.658 0 40 GHAB CC(C)(OC(=O)/C=C/c1ccc(O)cc1)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 13480104 YPULLITUOWRRPG-PHRJPNOBSA-N 392.407 3.837 0 40 GHAB biogenic,in-vitro CC[C@@H](C(=O)Nc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714396 NDTVCVRFDQMDKQ-INIZCTEOSA-N 384.860 3.662 0 40 GHAB Cc1c(-c2ccccc2)sc(NC(=O)[C@H]2C[C@@H]2C)c1C(=O)N1CCOCC1 14389879 OBIMNTYSYHZCBX-BBRMVZONSA-N 384.501 3.790 0 40 GHAB COc1cc(CN(C)C(=O)c2ccc(-n3cccn3)cc2)ccc1OC(F)F 17958131 IESIQTWSNOUQRR-UHFFFAOYSA-N 387.386 3.755 0 40 GHAB Cc1cc(C)n(Cc2c(C(=O)N3CCC[C@@H](Cc4ccccc4)C3)noc2C)n1 19574314 PCHBPHVSSHLQST-FQEVSTJZSA-N 392.503 3.940 0 40 GHAB Cc1c(CN(Cc2ccccn2)C[C@@H]2CCCO2)c(-c2ccccc2)nn1C 19662900 SPXAFAZNENUNHA-NRFANRHFSA-N 376.504 3.972 0 40 GHAB O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2o1 19936377 ACSMAROJPNEFAS-UHFFFAOYSA-N 393.635 3.882 0 40 GHAB CO[C@H](C(=O)N(c1cc2c(cc1Cl)OCO2)C1CCCCC1)[C@@H]1CCOC1 622834092 ZFKHKJHNYQFFAP-YJYMSZOUSA-N 395.883 3.786 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccccc3cc2O)cc1 5079201 PZELBNKWLJEFLS-CQSZACIVSA-N 377.396 3.932 0 40 GHAB CC(C)c1n[nH]c(SCc2csc(CC(=O)NCc3ccccc3)n2)n1 28188348 MVCMFMUTPIBZCN-UHFFFAOYSA-N 387.534 3.536 0 40 GHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 29597780 TXUKVVDUCZWXEL-OXJNMPFZSA-N 398.478 3.953 0 40 GHAB O=C1OCCN1c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 31720074 LIKFVQTZLSJPAS-UHFFFAOYSA-N 387.244 3.751 0 40 GHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3cc(F)cc(F)c3)C2)cc1C 2037913164 XDCGXGSGCHHVFK-NRFANRHFSA-N 375.415 3.628 0 40 GHAB O=C(CC1CCCCC1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984726 LMSZJLUYCIKIPO-HSZRJFAPSA-N 384.520 3.772 0 40 GHAB Cc1ncnc(OCC2CCN(C(=O)c3ccc4ncccc4c3)CC2)c1C 1565523217 IAPMKOSRMNGBBW-UHFFFAOYSA-N 376.460 3.573 0 40 GHAB CCSc1nnc(CNC(=O)c2cccc(OC)c2)n1-c1cccc(C)c1 4059347 XEBMMMPPNPDHTA-UHFFFAOYSA-N 382.489 3.626 0 40 GHAB O=C(/C=C/c1cccs1)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 2055793242 DXLZAIRPRDPZHK-SNAWJCMRSA-N 395.528 3.588 0 40 GHAB O=C(CN1CCN(Cc2nc(-c3cccs3)cs2)CC1)Nc1ccccc1 23145390 IJVCFZQFDGVDMB-UHFFFAOYSA-N 398.557 3.628 0 40 GHAB Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 23143510 IXLRRQSVINPCHP-UHFFFAOYSA-N 389.395 3.559 0 40 GHAB Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2csc3ccccc23)cc1Cl 225698372 MWDYLBOTIBVKKO-INIZCTEOSA-N 388.876 3.651 0 40 GHAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4nc5ccccc5s4)ccc1c23 19923877 ZAMKILOAOLWNBA-UHFFFAOYSA-N 395.465 3.840 0 40 GHAB Cc1nnsc1-c1nn2c(-c3cc(Br)ccc3F)nnc2s1 40266845 XPTNLGUOTHRYFW-UHFFFAOYSA-N 397.258 3.581 0 40 GHAB CC1CCN(Cc2ccc(CNC(=O)CCc3ccc4c(c3)OCO4)cc2)CC1 31201846 MQXZGSUPRCGODH-UHFFFAOYSA-N 394.515 3.896 0 40 GHAB O=C1/C(=C\Nc2ccc(Cl)cc2)S(=O)(=O)CN1c1ccc(Cl)cc1 100916599 VCFYFBHSMZCUSS-OQLLNIDSSA-N 383.256 3.666 0 40 GHAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C(=O)NCc1ccccc1)c1ccccc1 1377995 UGADSFKSGRBVIL-SEJPIABJSA-N 377.488 3.712 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N3CCC[C@H]3c3ccncc3)o2)cc1 32754732 AYXXVVIPDCIYDD-KRWDZBQOSA-N 396.472 3.596 0 40 GHAB CCCc1ccc(-c2nc(NC(=O)CCN3C(=O)CCC3=O)sc2C)cc1 21598358 BMYYCEZKJDWRMI-UHFFFAOYSA-N 385.489 3.549 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccccc2O)c1 6681102 GZQHTBPIAXQKFY-UHFFFAOYSA-N 388.470 3.531 0 40 GHAB CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2OC)cc1 6935143 ITWFDTAJDTUJPP-UHFFFAOYSA-N 398.488 3.714 0 40 GHAB C[C@@H]1Cc2cc(C(=O)NC3CCCCC3)ccc2N1S(=O)(=O)c1ccccc1 10324857 XEEAJFYLEOZCPH-MRXNPFEDSA-N 398.528 3.889 0 40 GHAB Cc1cccn2c(=O)c3cc(C(=O)N4c5ccccc5C[C@@H]4C)sc3nc12 2722948 SABQMUWBTRVXDW-ZDUSSCGKSA-N 375.453 3.809 0 40 GHAB O=C([C@H](Sc1nncn1Cc1ccco1)c1ccccc1)N1CCCCC1 22193823 UBTLIZYZGAOOCC-GOSISDBHSA-N 382.489 3.765 0 40 GHAB COCc1c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)oc2ccccc12 22550433 ZNDPVWKCEASDEV-UHFFFAOYSA-N 389.415 3.820 0 40 GHAB CC(=O)Oc1cccc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2)c1 707347 FNWBFXSAUQWSCW-UHFFFAOYSA-N 381.413 3.573 0 40 GHAB CCCCN1C(=O)C[C@H](C(=O)Nc2cccc(C)n2)[C@@H]1c1ccc(OC)cc1 22691221 ADCWGIBOKJOBCL-RXVVDRJESA-N 381.476 3.727 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)cc1 872597 VHTZDZMRNUSOLP-UHFFFAOYSA-N 398.488 3.714 0 40 GHAB CC(=O)N1C[C@H](C(=O)N(Cc2ccco2)c2ccc(C)cc2)Oc2ccccc21 23293210 BZHCXIBHUWVBMC-JOCHJYFZSA-N 390.439 3.935 0 40 GHAB O=C(N[C@H]1CCSC1=O)c1ccc(Oc2ccc(Cl)cc2Cl)nc1 3104798 TWLKFHNREZURNV-LBPRGKRZSA-N 383.256 3.943 0 40 GHAB Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(OC[C@@H]3CCCO3)c2)c1C 24742176 CNQQXYNMWQJGRD-FQEVSTJZSA-N 396.487 3.572 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1 55541947 FTEHJMQIYGGOFG-UHFFFAOYSA-N 393.770 3.736 0 40 GHAB Cc1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)n(Cc2ccccc2)n1 44075557 QWIITXFXCUSCEZ-IBGZPJMESA-N 393.491 3.791 0 40 GHAB COc1cc(F)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 26527688 PVDFQRBGRIGFNN-UHFFFAOYSA-N 379.331 3.663 0 40 GHAB O=C(NCc1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416484 PJBLFQOGLGWUQF-LBPRGKRZSA-N 381.234 3.802 0 40 GHAB COc1cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)ccc1OCC(C)C 18158596 NKKWWRRSIGSHIQ-MRXNPFEDSA-N 394.475 3.802 0 40 GHAB CC(C)[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 58017748 NAAILAPHVKCXCD-DNVCBOLYSA-N 394.899 3.626 0 40 GHAB CCOc1cccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 113968738 LTVHWERCDNPBGF-UHFFFAOYSA-N 390.505 3.579 0 40 GHAB Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1cccnc1 44842213 WDHWUXXYJOVPLV-UHFFFAOYSA-N 385.265 3.577 0 40 GHAB CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1 28043670 PNOWQMKDAHGNTK-UHFFFAOYSA-N 398.322 3.853 0 40 GHAB COc1ccc([C@H](O)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)c(OC)c1 2361610 HVUKZBBMUHJLSL-NFQMXDRXSA-N 393.420 3.789 0 40 GHAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cc(O)nc2ccccc12 10913531 GLZISTFISRYUBA-UHFFFAOYSA-N 385.427 3.736 0 40 GHAB O=C(C[C@@H]1C=CCC1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 12740784 BSBTYOYRTBJAEE-HXUWFJFHSA-N 388.511 3.846 0 40 GHAB O=C(Nc1ccc(-c2nccs2)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 48355874 KVYOUBULYSSMAL-INIZCTEOSA-N 384.505 3.676 0 40 GHAB C[C@H]1c2cccn2CCN1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 12850337 MMPBJCQRMVUHDO-DLBZAZTESA-N 394.544 3.881 0 40 GHAB C[C@H](NC(=O)Cn1c(S)nnc1-c1cccs1)c1ccc(Cl)cc1 12860131 NRXUOGOUABUFAI-JTQLQIEISA-N 378.910 3.826 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@@H](C)Oc1ccc(C)cc1 12933437 ILXNAWVBEKDCMY-CQSZACIVSA-N 399.878 3.701 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 113955169 BPXJWTICFGZEKO-SFHVURJKSA-N 388.533 3.727 0 40 GHAB CC(C)n1ncc2cc(NC(=O)Cc3csc(-c4ccccn4)n3)cnc21 13001004 RBFIZZYKNDDAER-UHFFFAOYSA-N 378.461 3.712 0 40 GHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N[C@H]1C[C@H]1c1cccc(F)c1 63351682 XBDWYXIHXSXBAV-RDJZCZTQSA-N 390.842 3.996 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)[C@H](O)c1ccc(F)cc1 49625227 CSXCFLIOJGWGKJ-LEWJYISDSA-N 389.430 3.836 0 40 GHAB Cc1ccccc1NC(=O)Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3 64814361 DCFPYOKMAPVKDH-UHFFFAOYSA-N 391.349 3.773 0 40 GHAB COC(=O)[C@@H](C)Sc1nnc(COc2ccccc2F)n1-c1ccccc1 6128985 JDWLSUYDHUARDZ-CYBMUJFWSA-N 387.436 3.639 0 40 GHAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(F)cc3)c2c1=O 65113375 UEOSYYOXHFPMMJ-UHFFFAOYSA-N 390.418 3.663 0 40 GHAB CCC(CC)NC(=O)[C@@H](C)SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 14231703 HULIJPWTYBHVDX-LLVKDONJSA-N 393.578 3.790 0 40 GHAB C[C@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccc(-c2ccccc2)cc1 14388856 QXXVULUFEPQHJO-KRWDZBQOSA-N 386.451 3.956 0 40 GHAB CSc1ccccc1NC(=O)CN(C)CC(=O)c1c(C)[nH]c2ccccc12 6600124 HKASQEHPNCAYRD-UHFFFAOYSA-N 381.501 3.951 0 40 GHAB CCOc1ccc(CCNC(=O)Cc2cn(C)c3ccccc23)cc1OCC 4901855 PTIQUFJKWIDADA-UHFFFAOYSA-N 380.488 3.877 0 40 GHAB O=C(CCCc1nc(-c2cccnc2)no1)Nc1cccc(Br)c1 15669643 RRBSMMBEXWHGNV-UHFFFAOYSA-N 387.237 3.856 0 40 GHAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccccc1C(=O)c1ccccc1 7490412 XABCPELWUJTFOY-UHFFFAOYSA-N 398.462 3.974 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2Cl)cc1 9237324 XMNXZKYRQFADIP-SJORKVTESA-N 399.907 3.946 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7738519 DKAMLCIYGUFPRD-CQSZACIVSA-N 382.851 3.707 0 40 GHAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)n2)cc1 16104449 RDAUYLSVULOKII-UHFFFAOYSA-N 387.342 3.938 0 40 GHAB Cc1ccc(-n2nc(C)cc2NC(=O)CN2CCC[C@H]2c2cccn2C)cc1 7855719 LIVTXTHJMRHQRR-FQEVSTJZSA-N 377.492 3.603 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2ccc(OC)cc2OC)N2CCCCC2)cc1 7990327 NQNXKGIMHIYQBR-OAQYLSRUSA-N 398.503 3.669 0 40 GHAB C[C@@H]1C(c2ccccc2)=NO[C@](C)(C(=O)c2ccc(Br)cc2)N1O 7974800 XYYVAPJVQWLUIM-KZULUSFZSA-N 389.249 3.862 0 40 GHAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCC[C@H](C)C4)c(=O)c23)s1 8132186 IZKGVSFJILDWDK-LBPRGKRZSA-N 387.530 3.753 0 40 GHAB O=C(CS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)s1 19849369 NIGPUUJBEFEZHF-UHFFFAOYSA-N 379.684 3.821 0 40 GHAB COc1cc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)ccc1OC(F)F 9690494 CQRJPFIMJNVPMW-UHFFFAOYSA-N 376.403 3.560 0 40 GHAB C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cnc(-c2cnn(C)c2)s1 78806388 PSAFBEKBRGEUDL-NSHDSACASA-N 383.502 3.514 0 40 GHAB COc1cccc2c1ccn2CCNC(=O)c1cc(-c2cccs2)nn1C 79493769 JMYFPKWQDJZRFG-UHFFFAOYSA-N 380.473 3.542 0 40 GHAB Cc1c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cnn1-c1ccccc1 79493566 ZPUOSNYOKVTHFK-UHFFFAOYSA-N 395.890 3.958 0 40 GHAB O=C(CCc1ccccc1F)Nc1ccccc1C(=O)NCc1cccnc1 61239523 SNWGYWHKLPMCEW-UHFFFAOYSA-N 377.419 3.722 0 40 GHAB Cc1cccc(C(=O)N2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 306124839 CARYHUKGLQCKQU-FQEVSTJZSA-N 383.455 3.729 0 40 GHAB Nc1nn(CC(=O)c2cccc(Cl)c2Cl)c(=S)n1Nc1ccco1 36625679 ZKMAZZDXUODFEC-UHFFFAOYSA-N 384.248 3.654 0 40 GHAB COc1ccc(CCN2CCCC[C@H]3CN(C(=O)Cc4ccccc4)C[C@H]32)cc1 72330658 WHRKBPNTEMOLCX-LADGPHEKSA-N 392.543 3.793 0 40 GHAB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)/C=C/c3ccccc3)cc21 408529113 GYRYYHFZZBSYGK-VAWYXSNFSA-N 390.487 3.519 0 40 GHAB CN(C(=O)Cc1ccc2c[nH]nc2c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 526011565 HFPCYUTUDALWKS-HKUYNNGSSA-N 390.270 3.529 0 40 GHAB Cc1ccccc1Cc1cccc(C2CCN(CC(=O)N3CCCC3)CC2)n1 72348777 LYBSBLWJUZGRTF-UHFFFAOYSA-N 377.532 3.783 0 40 GHAB COc1ccc(CC(=O)N2CCC(c3cccc(-n4ccnc4C)n3)CC2)cc1 72378848 IHVLATPBYIXPSI-UHFFFAOYSA-N 390.487 3.533 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCCCN(C)C)c3cnn(C(C)C)c3n2)cc1 71822857 PGFINUYUIXSIJI-UHFFFAOYSA-N 379.508 3.669 0 40 GHAB CCCCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 32752747 WBBRXCQQOBLIPE-HXUWFJFHSA-N 382.435 3.991 0 40 GHAB Cc1cccc(-n2nc(-c3nc(-c4cccnc4)no3)c3ccccc3c2=O)c1 38652077 OEVWRPUCWWKTFX-UHFFFAOYSA-N 381.395 3.806 0 40 GHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 219598155 BFSNDEDSEBNJOU-UXHICEINSA-N 389.517 3.823 0 40 GHAB O=C(Nc1nc(CN2CCOCC2)cs1)N1CC2(CCC2)[C@H]1c1ccccc1 562584098 GWOZTRUOGMPEOJ-GOSISDBHSA-N 398.532 3.734 0 40 GHAB CCCCc1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 225018283 JWBPAMKYPOSINW-UHFFFAOYSA-N 396.538 3.666 0 40 GHAB Cc1cc(Cl)ccc1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 223344208 MTCDWOBAGZKKKZ-UHFFFAOYSA-N 387.244 3.548 0 40 GHAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 225703075 QVOLTXNBKYMVGV-QFIPXVFZSA-N 392.540 3.712 0 40 GHAB Cc1cc(C)n(-c2cc(SCC(=O)Nc3cccc(Cl)c3C)ncn2)n1 49404196 MXIDTNSNRWVBFF-UHFFFAOYSA-N 387.896 3.972 0 40 GHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)cc1 225700733 MGTCOJYCHSILGG-CYBMUJFWSA-N 390.530 3.685 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 224593119 DMCGHMJYVLVCHM-JOCHJYFZSA-N 396.531 3.953 0 40 GHAB O=C(Cc1cccc(Br)c1)NCc1ccccc1CN1CCCC1 194774230 LIMYVCRPYYVGPI-UHFFFAOYSA-N 387.321 3.904 0 40 GHAB CC1CCN(c2cc(C(F)(F)F)nc(NC(=S)NC3CCCC3)n2)CC1 226006924 FMVJLKBYSQFQBN-UHFFFAOYSA-N 387.475 3.961 0 40 GHAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1C(F)(F)F 77099700 HOGDMEQSBHYCPB-UHFFFAOYSA-N 380.366 3.581 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3cccc(F)c3)c2)c1 224077704 RLKPURBIMKNRGV-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 224870290 QACVNCRIMAKQED-SFHVURJKSA-N 384.495 3.929 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220136292 UPYFRUSFPWBWAU-INIZCTEOSA-N 390.505 3.575 0 40 GHAB Cc1nc2cc(C(=O)NCCNc3ccnc4cc(Cl)ccc34)ccc2n1C 225893344 VHEYYDZGTYWAAX-UHFFFAOYSA-N 393.878 3.925 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2nccs2)c1C 222773193 VJMZOCLRIYMWPJ-IAGOWNOFSA-N 383.546 3.938 0 40 GHAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cnn(C(C)C)c2)S1 96116650 IDGNWFWFGBWZNU-HOCLYGCPSA-N 389.525 3.970 0 40 GHAB COc1ccc(CC(=O)N[C@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)cc1 96296965 HLQXNRJOSMESCS-GFCCVEGCSA-N 398.390 3.607 0 40 GHAB biogenic,in-vitro CCCOc1c(Cl)cc(C(=O)N2CCC([C@H]3CCNC3)CC2)cc1OCC 585089121 MUNFMCRKISLXOR-INIZCTEOSA-N 394.943 3.989 0 40 GHAB O=C(CN1CCC[C@@H](C(=O)N2Cc3cccc(Cl)c3C2)C1)Nc1ccccc1 585083339 RXPGBHAMMMBDHE-QGZVFWFLSA-N 397.906 3.533 0 40 GHAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(C)=O)CC1 257223127 DVYNPFLXOZTBLG-WKILWMFISA-N 388.533 3.687 0 40 GHAB O=C(Cn1cccn1)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257263461 LPZXSKDGFCZCCO-SFHVURJKSA-N 384.867 3.869 0 40 GHAB COCCN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1ccccc1 257270021 MSMINCPCAWHAIW-WXFUMESZSA-N 380.532 3.632 0 40 GHAB O=C(NCCc1ccccc1)Nc1cc2c(cc1Br)OCCO2 43455873 DDZLTAKJEOVCNZ-UHFFFAOYSA-N 377.238 3.585 0 40 GHAB CC(C)Cn1ccnc1CNC(=O)N1CCC2(C=Cc3ccccc3O2)CC1 664210588 NFFCMIQXXGNGRA-UHFFFAOYSA-N 380.492 3.689 0 40 GHAB O=C(Nc1cccc(CNC(=O)N2CCOc3cc(F)ccc3C2)c1)C1CCC1 623411519 FLFSFPUBYIPIDM-UHFFFAOYSA-N 397.450 3.669 0 40 GHAB C[C@H](NC(=O)NC[C@H]1C(C)(C)C1(F)F)c1ccc(N2CCCCC2=O)cc1 852347293 CJAQBGRTGDUXRS-BBRMVZONSA-N 379.451 3.855 0 40 GHAB Cc1ncc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)c(C)n1 1615153290 BPKHQJQAJPQSPY-UZLBHIALSA-N 382.483 3.752 0 40 GHAB Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H](O)c1cccc2ccccc12 1664980373 JMPBFEXXEJYZOY-SFHVURJKSA-N 375.877 3.814 0 40 GHAB N#CCCn1cc(/C=C2/NC(=S)N(c3ccccc3)C2=O)c(-c2ccccc2)n1 5738336 HQILKFVMRWJWFC-XMHGGMMESA-N 399.479 3.726 0 40 GHAB COc1ccc2c(CN3CCC[C@H]([C@@H](NC(C)=O)c4nccs4)C3)c[nH]c2c1 12365811 HCLQHOFIPIWWFT-MGPUTAFESA-N 398.532 3.722 0 40 GHAB O=C(Nc1ccc(F)cc1F)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 12759792 IXHCOKNZNJTBES-PDGQHHTCSA-N 393.353 3.848 0 40 GHAB Cc1csc(NC(=O)CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)n1 13692829 BPINZJIYURRAKN-UHFFFAOYSA-N 392.440 3.628 0 40 GHAB CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 14427967 FUVIPNQQOOTHGM-UHFFFAOYSA-N 386.517 3.903 0 40 GHAB Cn1nc(C(=O)N2CCC[C@H]2c2nnc(-c3ccsc3)o2)cc1C(F)(F)F 19288746 BLXCQBIXCXLWDS-NSHDSACASA-N 397.382 3.528 0 40 GHAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)CC(C)C)CCNC1=O 19446489 LGBARKBNGSDQMS-LJQANCHMSA-N 394.515 3.525 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cc[nH]n3)cc2n1 19452324 ZGUHUEHNWSAGON-AWEZNQCLSA-N 392.385 3.572 0 40 GHAB C[C@H](NC(=O)CCCc1nc(-c2cccnc2)no1)c1nc2ccccc2s1 19459845 AZANRBAVCKXOLT-ZDUSSCGKSA-N 393.472 3.941 0 40 GHAB CC1(C)Cc2c(cnn2Cc2ccccc2Cl)[C@@H](NC(=O)c2cnccn2)C1 19461713 QYWSUHZKVKTYAZ-KRWDZBQOSA-N 395.894 3.818 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccncc3)cc2N1 19574812 VQAJUZOAAYSSSD-BYCMXARLSA-N 379.386 3.563 0 40 GHAB Cc1ccc([C@@]2(O)CCN(C(=O)c3ccc(-n4nc(C)cc4C)cc3)C2)cc1 19660009 HLTMZMVSGSARON-HSZRJFAPSA-N 375.472 3.531 0 40 GHAB Cc1cc(-c2cncnc2)cc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)n1 19691006 JGNUBAJJISKTQC-NRFANRHFSA-N 392.434 3.729 0 40 GHAB Cc1ncc(CN2CC[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)s1 19702522 IPGBTDKNVGGISG-CYBMUJFWSA-N 386.546 3.753 0 40 GHAB O=C(Nc1ccccc1OCc1ccccn1)c1ccc(N2CCOCC2)cc1 19717343 JNGXGIDRLNSLBP-UHFFFAOYSA-N 389.455 3.750 0 40 GHAB Cc1nc2sc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)c(C)c2c(=O)[nH]1 19718949 BVNWXXNVUHKFDR-ZDUSSCGKSA-N 383.473 3.634 0 40 GHAB CC(C)C(=O)N1CCC(CC(=O)Nc2cc(F)ccc2N2CCCC2)CC1 19748161 PRZWBNQPXZTNBU-UHFFFAOYSA-N 375.488 3.649 0 40 GHAB C=CCOc1ccc(/C=C(\Sc2nnc(CC)[nH]2)C(=O)O)cc1OCC 7342567 IJGSDWHESFHZGD-PTNGSMBKSA-N 375.450 3.548 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)NC3(c4cccs4)CCOCC3)c2O1 390827913 LWAFDISQSOIIOJ-UHFFFAOYSA-N 387.501 3.663 0 40 GHAB Cc1nc2ccccc2nc1N1CCN(c2cc(C(F)F)nc(C3CC3)n2)CC1 1888918042 BWWWEFSGDQFWDO-UHFFFAOYSA-N 396.445 3.870 0 40 GHAB CN(CCCNC(=O)CCc1ncc(-c2ccccc2)o1)Cc1ccccc1 22276650 LSIKDLQLHAMBGT-UHFFFAOYSA-N 377.488 3.913 0 40 GHAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)c4ccccc4)CCO3)n2)s1 2037834382 AJXOIRCFGZEAMV-QGZVFWFLSA-N 380.473 3.804 0 40 GHAB CCCCCn1c(S)nc2cc(C(=O)NCc3ccccc3)ccc2c1=O 3630045 PCSRPFWJBQADJW-UHFFFAOYSA-N 381.501 3.805 0 40 GHAB CSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 4087463 MCNXEKWYKJCTBE-UHFFFAOYSA-N 396.560 3.881 0 40 GHAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c(OCC)c1 4189411 CURYJKHQQXVXAU-GOSISDBHSA-N 376.453 3.542 0 40 GHAB COc1cccc([C@H](CNC(=O)Nc2ccc(Cl)cc2)N2CCOCC2)c1 23105933 RBJBYYANZJKSOP-IBGZPJMESA-N 389.883 3.544 0 40 GHAB CN(C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 38629182 QYARIOIYWQZOBC-LBPRGKRZSA-N 379.334 3.636 0 40 GHAB CCOC(=O)Nc1ccc(NC(=O)c2ccccc2N2CCCC2=O)cc1OC 19625303 IPVIHXVRTWRISQ-UHFFFAOYSA-N 397.431 3.643 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2nc3ccccc3s2)C1 40114650 BLOYYGFPAMBVFB-OAHLLOKOSA-N 395.484 3.558 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCO[C@H](c2ccc(Cl)cc2)C1 40154705 XMOJOBTYYZKSBH-LRDDRELGSA-N 380.275 3.789 0 40 GHAB CN1C(=O)C[C@@H](C(=O)Nc2ccc(Br)cc2F)[C@H]1c1ccccc1 20427389 WVPYJSSJSQHSOK-CXAGYDPISA-N 391.240 3.746 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)c1ccc(Cl)s1)(C3)C2 18044905 ZFCNKVRJEFTHTA-NFAYLAGKSA-N 395.908 3.603 0 40 GHAB CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 2630153 YEYALGCRLWIGOY-QFIPXVFZSA-N 386.495 3.682 0 40 GHAB CCOC(=O)c1c(NC(=O)CCOc2ccc(OC)cc2)sc(C)c1C 2660063 GBPPZFOWXXJWQB-UHFFFAOYSA-N 377.462 3.958 0 40 GHAB COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)c(OC)c1 1102109 AORGVRDUPXTLQW-UHFFFAOYSA-N 397.456 3.667 0 40 GHAB CCC[C@@H](NC(=O)[C@H](C)Sc1nnc(C(F)(F)F)n1C)c1ccccc1 21335191 BGYVHXJYYXLNAZ-WCQYABFASA-N 386.443 3.972 0 40 GHAB CCOc1ccccc1NC(=O)CSCC(=O)Nc1ccccc1OCC 1290528 VUJNQCATJJSSJR-UHFFFAOYSA-N 388.489 3.794 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1 1368241 ABJUMMUXBKNDPE-UHFFFAOYSA-N 389.502 3.731 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(OC(F)F)cc1 3293716 OCUIQZALFQTMIR-UHFFFAOYSA-N 396.699 3.761 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1OC 3385522 FGZWOMCJZORBCV-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB CCN(CC)C[C@@H](OC)[C@@H](COC)OC(=O)C(c1ccccc1)c1ccccc1 4792376 LZLUKZHCUAXOJV-FGZHOGPDSA-N 399.531 3.734 0 40 GHAB CSc1ccccc1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 32925763 YELQZXZLWGNUDQ-UHFFFAOYSA-N 390.468 3.519 0 40 GHAB C[C@H]1CN(c2ncnc3c2cnn3-c2ccccc2)CCN1[C@H]1CCC[C@@H](C)C1 10587780 SNIZDVPEJYDTHR-HBFSDRIKSA-N 390.535 3.905 0 40 GHAB COc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)C)ccc3o2)cc1OC 8904007 MJBFZPKEBQMXTM-UHFFFAOYSA-N 399.472 3.981 0 40 GHAB O=C(NCCOc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1F 59417404 RVRPIUPEJWCGMA-UHFFFAOYSA-N 378.403 3.626 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1 652611 QNHCPBONXHFOBU-UHFFFAOYSA-N 381.354 3.513 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2C(=O)N[C@]34CCCC[C@@H]3[C@@H]2c2ccccc2O4)c1 100747918 SPSIPKWKABOJQM-JWRIFHQMSA-N 376.456 3.742 0 40 GHAB Cc1cc(C)n(CCc2nnc(NC(=O)N3CC[C@@H]3c3ccccc3)s2)n1 103526044 DQDFJVHYKWNWPI-MRXNPFEDSA-N 382.493 3.573 0 40 GHAB C[C@H](NC(=O)CN1CCN(Cc2cccc3ccccc23)CC1)c1cccs1 22803531 KBOCUFFRUBPLAI-SFHVURJKSA-N 393.556 3.896 0 40 GHAB Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1-n1cccc1 9906087 FJTBUKBFQXZJMH-UHFFFAOYSA-N 388.471 3.737 0 40 GHAB COC(=O)c1ccc([C@H]2CC(=O)c3c(C)cc4oc(=O)cc(C)c4c3O2)cc1 12296992 HVWXPTMRELPHGA-MRXNPFEDSA-N 378.380 3.903 0 40 GHAB biogenic COc1cc(C)c(S(=O)(=O)N(C)c2cccc(Br)c2)c(C)c1 58439918 IDXMAZJYKDGOKB-UHFFFAOYSA-N 384.295 3.900 0 40 GHAB CCn1c(SC[C@H](O)COCc2cccc(OC)c2)nnc1-c1ccccc1 24095981 MUUHYLPMMZSITM-GOSISDBHSA-N 399.516 3.643 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccc(F)cc2F)CC1 55087868 XCHLGLVKKAICOV-UHFFFAOYSA-N 379.838 3.687 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccc(C)cc2C)cc1 22275307 FYDYDEUHTILEHI-UHFFFAOYSA-N 388.533 3.579 0 40 GHAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(NC(=O)C2CC2)cc1 25167870 ANGONLAMWUBQAT-UHFFFAOYSA-N 392.455 3.628 0 40 GHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc2cc(O)ccc12 107957102 DHRWSGFRZSVMPL-UHFFFAOYSA-N 382.441 3.689 0 40 GHAB CSCc1nc2ccccc2n1CC(=O)NCCc1cccc2cccnc12 12551907 LYWODVWDLUJJFM-UHFFFAOYSA-N 390.512 3.806 0 40 GHAB COC(=O)c1n[nH]c2ccc(NC(=O)c3cc4ccccc4cc3OC)cc12 12525439 VXMOSLNNYBPMCN-UHFFFAOYSA-N 375.384 3.764 0 40 GHAB CN(C)C(=O)c1cccc(CSc2nnc(-c3cccnc3)n2C2CC2)c1 58202704 BGCIYUNGEXTBQK-UHFFFAOYSA-N 379.489 3.669 0 40 GHAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NCc1ccc(Cn2cccn2)cc1 48064550 NUNATAJEYDQNQJ-UHFFFAOYSA-N 377.492 3.690 0 40 GHAB COc1cc(C(=O)NCc2ccc(F)c(C)c2)cc(OC)c1Br 10552369 REEXFFYNCPUGNI-UHFFFAOYSA-N 382.229 3.844 0 40 GHAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccncc2)c1 8728821 HRISXCCTKXYKEC-UHFFFAOYSA-N 398.466 3.932 0 40 GHAB O=C(O)c1cnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)n1-c1ccccc1 12627649 RGVQMIMRTJRCIW-GOSISDBHSA-N 393.468 3.683 0 40 GHAB COc1cc(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc(OC)c1OC 36632700 FHLMKCZHOAZQOA-UHFFFAOYSA-N 381.432 3.767 0 40 GHAB COc1ccc([C@H]2CC(=O)c3cnc(NC(=O)Cc4ccccc4)nc3C2)cc1 2401316 IAXAPYDDJDLXCO-QGZVFWFLSA-N 387.439 3.579 0 40 GHAB COc1ccc2cc(CNC(=O)CCc3nc(-c4ccncc4)no3)ccc2c1 11282953 YPCAPMFCONRZAL-UHFFFAOYSA-N 388.427 3.542 0 40 GHAB Cc1cc(C(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)c2ccccc2n1 3331777 DLIJWRIVAVHOEE-INIZCTEOSA-N 376.456 3.838 0 40 GHAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(-c2ccco2)nc2ccccc12 12766293 XJKBLATZODYNRI-UHFFFAOYSA-N 382.383 3.723 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(C(=O)c2ccoc2)C1 12825047 KJCLAIYEACQIDL-LBPRGKRZSA-N 382.338 3.669 0 40 GHAB CCOC(=O)c1c(NC(=O)CN(C)Cc2ccc(F)cc2)sc(C)c1C 3542002 FWLJGRCYKZVROE-UHFFFAOYSA-N 378.469 3.751 0 40 GHAB CC(=O)Nc1cccc(-n2nnnc2SCc2coc(-c3ccccc3)n2)c1 12925937 CUAKNYFRURDUNO-UHFFFAOYSA-N 392.444 3.568 0 40 GHAB O=C(NCc1ccccc1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 38487350 OEUYSOQRYFPMMX-UHFFFAOYSA-N 389.846 3.913 0 40 GHAB O=C(OCCCc1cccnc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 49960522 ABRMPLGYVPCTIN-PJVWNMJMSA-N 396.531 3.765 0 40 GHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1ccc(C(C)(C)C)cc1)C2=O 6368214 VCPMOYUDSXVNLM-IVZQSRNASA-N 386.492 3.528 0 40 GHAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 21600782 GHWBUZXFSFOPOF-HOTGVXAUSA-N 384.501 3.715 0 40 GHAB O=C(COC(=O)COc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 6460104 OLSIRVOZPLUUSH-UHFFFAOYSA-N 387.741 3.920 0 40 GHAB CN(CCCNC(=O)Cc1csc(-c2ccccc2)n1)Cc1ccccc1 14236127 KGUPKNODUGBKSN-UHFFFAOYSA-N 379.529 3.991 0 40 GHAB Cc1ccc(NC(=O)Cn2c(=O)n(C3CCCCC3)c(=O)c3ccccc32)cc1 5488811 YKKAXNWGHNMODK-UHFFFAOYSA-N 391.471 3.616 0 40 GHAB COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)Cc1ccccc1 4732576 KQQSWPHBEJLTHS-UHFFFAOYSA-N 399.454 3.844 0 40 GHAB O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccon1 14706451 POZXFBWCWBXBQQ-UHFFFAOYSA-N 382.216 3.508 0 40 GHAB O=C1COc2ccc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2N1 17960227 AMEUKZRZCNKWKS-UHFFFAOYSA-N 393.468 3.647 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1 15009363 RZCJDLLWNCOSIK-WOJGMQOQSA-N 396.468 3.987 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)c1 4976644 VSHGLWAPQPDERN-UHFFFAOYSA-N 381.436 3.993 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccc(F)cc1 6914131 VERAZZRJKFDUQH-UHFFFAOYSA-N 396.369 3.769 0 40 GHAB CC(C)(C)OC(=O)NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 67143369 YRMAJCMKUOUMRK-UHFFFAOYSA-N 387.402 3.769 0 40 GHAB CC[S@](=O)c1ccccc1C(=O)OCC(=O)Nc1ccc2ccccc2c1 7135407 HADCWYJHPYPJIS-HHHXNRCGSA-N 381.453 3.763 0 40 GHAB C[C@H](NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1 15550878 VAXQCFDNVFYYIM-DLBZAZTESA-N 397.494 3.742 0 40 GHAB COc1ccc(-c2nc(C(=O)NCCc3ccccc3F)cs2)cc1OC 7241392 FQYHHNKPIKXZTA-UHFFFAOYSA-N 386.448 3.939 0 40 GHAB O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccc(Cl)s1 7782735 IPWAPEYSSOEBFY-KRWDZBQOSA-N 393.873 3.756 0 40 GHAB Cc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N1CCCCC1 7872230 QWHBCOHPWNVWAM-UHFFFAOYSA-N 390.549 3.790 0 40 GHAB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21 7920508 VRYWJFKANQMSNI-QGZVFWFLSA-N 376.378 3.629 0 40 GHAB O=C(CNc1ccc(I)cc1)N1CCCc2ccccc21 7957167 QOZUTROWUZKTOC-UHFFFAOYSA-N 392.240 3.683 0 40 GHAB COc1ccccc1Nc1ncccc1C(=O)OCC(=O)Nc1ccccc1C 9249522 JURMPPOCNYQZMD-UHFFFAOYSA-N 391.427 3.938 0 40 GHAB O=C(O)CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc2nccnc12 72314697 QEWVHDUFNFLFDO-LJQANCHMSA-N 388.427 3.562 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 95482394 ADEWCRQXVINAJW-SFHVURJKSA-N 381.432 3.527 0 40 GHAB COc1cc(N[C@H]2CCCN(C(=O)Nc3ccccc3OC)C2)cc(OC)c1 79111417 LIRFCAZQJXBTTO-HNNXBMFYSA-N 385.464 3.821 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2CC)cc1NC(=O)CC 408699234 VQJKQDLNEVVBCY-UHFFFAOYSA-N 376.478 3.797 0 40 GHAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(C(=O)O)cc2)S1 408796091 DLGGQXFJIQRRKR-UHFFFAOYSA-N 389.840 3.810 0 40 GHAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1 95998697 CYJGSZONDWGJQF-QGZVFWFLSA-N 392.434 3.821 0 40 GHAB COCCOc1c(Cl)cc(NC(=O)c2cnc(N)c(Cl)c2)cc1Cl 95983824 FYMHRWNZRNSUCL-UHFFFAOYSA-N 390.654 3.902 0 40 GHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccccc2C(C)=O)CC1=O 408650889 BVSGSCQMPJEWSD-GOSISDBHSA-N 379.456 3.973 0 40 GHAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(SC(F)(F)F)cc2)C[C@H](C)O1 21061723 WBESNEKSJWHIPX-STQMWFEESA-N 390.471 3.916 0 40 GHAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1S(=O)(=O)NC(C)C 408701390 XFJJWBTXWIVIOW-UHFFFAOYSA-N 390.505 3.641 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1OC 408585362 FPVOVAZYOHUKMS-UHFFFAOYSA-N 378.450 3.681 0 40 GHAB Cc1ccc(CN(Cc2cc3cc(C)ccc3n3nnnc23)C(=O)C2CC2)cc1 35311763 SNHZEAAFUIMLEC-UHFFFAOYSA-N 385.471 3.833 0 40 GHAB Cn1c(=O)n(C)c2cc(NC(=O)CSCc3c(F)cccc3Cl)ccc21 408564955 GUIAKNCGFGRQDR-UHFFFAOYSA-N 393.871 3.541 0 40 GHAB CN(C)c1ncn(-c2cccc(NC(=O)[C@@H]3C[C@]34CCCc3ccccc34)c2)n1 506119859 BAPQLJAMLAHQQS-REWPJTCUSA-N 387.487 3.566 0 40 GHAB O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 35291051 GYQZUXXYBUDZFN-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB COc1cc2c(=O)[nH]c(Cc3csc(C(C)C)n3)nc2cc1OC(F)F 60639202 IAQHEPCHYOZZPL-UHFFFAOYSA-N 381.404 3.704 0 40 GHAB COc1ccc(CNc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 6805427 DFVHAYYMPBWQFI-UHFFFAOYSA-N 382.427 3.960 0 40 GHAB O=C(N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1c[nH]c2ncccc12 540124541 LMMKZUVFCIJYQK-HXUWFJFHSA-N 397.438 3.859 0 40 GHAB COc1ccc(CN2CCC[C@H]([C@H](NC(=O)C(C)C)c3nccs3)C2)cc1 72341415 DWROQQOWBDCFDS-HKUYNNGSSA-N 387.549 3.877 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCCN3CCSCC3)c3ccccc3n2)cc1 1565685813 PFTLOOQZVIZXFI-UHFFFAOYSA-N 391.540 3.989 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H](c3nccnc3Oc3ccccc3)C2)cn1 72363171 ZJFXNJKMIBJFCM-KRWDZBQOSA-N 390.443 3.692 0 40 GHAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1C[C@@H]1CCCO1 223294688 YYYNEWBYJBSKPU-UVBJJODRSA-N 379.938 3.948 0 40 GHAB COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccs1 225140100 RWIOEUMLVZEEKJ-UHFFFAOYSA-N 387.482 3.783 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1 225454541 YZMHSMSIHXUYHS-VQTJNVASSA-N 396.531 3.748 0 40 GHAB COc1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 223137395 BGQKTPBVNCGKTP-ZHZULCJRSA-N 390.439 3.684 0 40 GHAB CC[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C 224385154 LFMZJIDLRIWWTO-HXUWFJFHSA-N 386.517 3.806 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCC 225230794 YFMOSUGOFUHHEA-CQSZACIVSA-N 383.330 3.883 0 40 GHAB O=C(NCc1ccccc1F)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 40286542 KXYOVGFBUBRTGZ-UHFFFAOYSA-N 387.794 3.941 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)N(CC)Cc3ccccc3)ccc21 225735071 CGJIXNIXEPGJLN-UHFFFAOYSA-N 390.530 3.684 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(F)(F)F)ccc21 225884074 IYXFNMOBUDVDLZ-UHFFFAOYSA-N 398.406 3.805 0 40 GHAB COc1cc2c(cc1S(=O)(=O)Nc1nnc(SC(C)C)s1)CCCC2 225155149 OXRYMGIYTYBEMU-UHFFFAOYSA-N 399.563 3.727 0 40 GHAB COc1ccc(NC(=O)[C@H](CCSC)n2cccc2)cc1-c1nnc(C)o1 575443172 KGXVIPPORUQYRR-INIZCTEOSA-N 386.477 3.788 0 40 GHAB CCN(C(=O)COC(=O)Cc1ccccc1Br)c1cccc(C)c1 95471770 CYSNFYPNTHTWDI-UHFFFAOYSA-N 390.277 3.896 0 40 GHAB Cc1ncsc1CN1CCC2(CC1)OCC[C@@H]2CCOCc1ccncc1 248066995 XIKRTKUQVMPESL-IBGZPJMESA-N 387.549 3.825 0 40 GHAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3cccc(C)n3)CCO2)n1 257258823 KVRPREBOEMFDHX-HXUWFJFHSA-N 392.459 3.525 0 40 GHAB CNc1cc([C@@H]2CCCN2C(=O)C2(Cc3ccc(F)cc3)CCOCC2)ccn1 257267905 MJJMPCXUJHDMRC-FQEVSTJZSA-N 397.494 3.965 0 40 GHAB Cc1ccc(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c(OC[C@@H]2CCOC2)c1 660872685 FMXNCFVVWDUODB-NJNPRVFISA-N 394.515 3.938 0 40 GHAB O=C([C@@H]1COc2cc(F)ccc2C1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 626273910 MLMQNKZVHILXFO-FUHWJXTLSA-N 392.434 3.526 0 40 GHAB O=C1NC[C@H](C(=O)N2CCCCc3cc(Br)ccc32)c2ccccc21 626347474 WXQYBVFBZZUZBB-KRWDZBQOSA-N 399.288 3.646 0 40 GHAB O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N[C@@H]1CO[C@@H](C2CC2)C1 626547536 KVXAIRXCIIWVFW-GXFFZTMASA-N 380.313 3.996 0 40 GHAB CCCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccccn1)C2 585106834 JGSXGDPGBZGFJT-QHCPKHFHSA-N 387.487 3.629 0 40 GHAB Cc1ccc(C(=O)O)cc1NC(=O)c1cccc(I)c1 13169648 QEKNHKCKSVNLCR-UHFFFAOYSA-N 381.169 3.550 0 40 GHAB CC1(C(=O)N2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)CCCCC1 1615123544 SVNZRHHTBRDQCL-JOCHJYFZSA-N 388.483 3.521 0 40 GHAB COc1ccc(OCC(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1 12621022 MXESGVCEVRCTAX-UHFFFAOYSA-N 382.485 3.865 0 40 GHAB O=C(NCc1cccs1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 13655251 XRVXKLIKBDKHLI-KRWDZBQOSA-N 395.528 3.717 0 40 GHAB COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(C)c(F)c3)no2)cc1 15674296 RDKXPCIRJLAIRJ-APWZRJJASA-N 383.423 3.501 0 40 GHAB biogenic,in-vitro O=C(CN1CCC(N2CCCC2)CC1)Nc1ccc(N2CCCCCC2)cc1 19715455 FCYWNNNAQGBZMV-UHFFFAOYSA-N 384.568 3.566 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1Cl 156869890 VZPVVCUPTANJNH-UHFFFAOYSA-N 393.770 3.946 0 40 GHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 19661382 SUXAKXUNFHGWGZ-GFCCVEGCSA-N 379.815 3.724 0 40 GHAB O=C(NC1CCC(n2nc(C3CC3)ccc2=O)CC1)C1CCC(F)(F)CC1 1776000521 NDJMGNWKOWYHMU-UHFFFAOYSA-N 379.451 3.546 0 40 GHAB COc1cccc(C(=O)N2CCC(Oc3cccc4cccnc34)CC2)c1OC 238853995 JTENEUWYWVWHEU-UHFFFAOYSA-N 392.455 3.936 0 40 GHAB COc1ccccc1-n1ccnc(SCC(=O)Nc2ccc(C)cc2C)c1=O 4853159 XEIHSFQNWSEEIR-UHFFFAOYSA-N 395.484 3.589 0 40 GHAB CC(C)CS(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5099628 PXAYIVBFMFMUSA-UHFFFAOYSA-N 378.519 3.739 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 5268544 ZDEGHMSTRZVPCJ-UHFFFAOYSA-N 391.418 3.605 0 40 GHAB COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)c1OC 5252280 KKTOSFDVLYQMAE-UHFFFAOYSA-N 380.444 3.645 0 40 GHAB Cc1cc(S(=O)(=O)[C@@H](CNC(=O)C(C)(C)C)c2cccs2)ccc1F 8768813 DMQIXFICZKIYCG-INIZCTEOSA-N 383.510 3.873 0 40 GHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(F)cc3)ccc21 8840798 CKCZAUZJQJRBHX-UHFFFAOYSA-N 390.480 3.847 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 10812138 SDFKVXHDBJOBGD-CYBMUJFWSA-N 384.910 3.583 0 40 GHAB COc1ccc(N2C[C@@H](C(=O)OCc3cc(-c4cccs4)on3)CC2=O)cc1 12236751 RAAHELJXGHVJJL-ZDUSSCGKSA-N 398.440 3.508 0 40 GHAB COc1cccc(Cn2c(C)c(C)c(S(=O)(=O)c3ccc(F)cc3)c2N)c1 12372598 YXQTWXBODURXPP-UHFFFAOYSA-N 388.464 3.716 0 40 GHAB COC(=O)c1ccc(-c2csc(NC(=O)COc3ccccc3F)n2)cc1 14659059 DHUQDEKZQWLCKS-UHFFFAOYSA-N 386.404 3.753 0 40 GHAB CCc1ccc(NC(=O)CSc2nc3ccccc3n3c(C)nnc23)cc1 35426673 OOIOXQLPHLCSNL-UHFFFAOYSA-N 377.473 3.879 0 40 GHAB O=C(NCc1cncc(-c2cccs2)c1)c1ccc(N2CCOCC2)cc1 225667484 FQPUNXXKOPZZAT-UHFFFAOYSA-N 379.485 3.577 0 40 GHAB CN(C)[C@H](CNC(=O)c1ccc2nsnc2c1)c1csc2ccccc12 575620006 HJRBYGIWRHXYNO-QGZVFWFLSA-N 382.514 3.939 0 40 GHAB Cc1cc(C)cc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 9708962 BARBFLJWCGYYKX-UHFFFAOYSA-N 376.464 3.812 0 40 GHAB CCc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCN(C)CC3)c(O)n2n1 22577902 LXYYTZOWMMZQSJ-GOSISDBHSA-N 399.564 3.519 0 40 GHAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)C[C@@H](C)C2)cc1 23157280 WWATUSHQVSRAIO-PBFPGSCMSA-N 386.521 3.881 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccccc1N1CCCC1=O 31495845 XDDOEIOQMKEERY-UHFFFAOYSA-N 382.508 3.854 0 40 GHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1COc2ccccc2O1 2653828 XQZXIXWNLSMLER-SFHVURJKSA-N 377.425 3.841 0 40 GHAB C[C@@]1(C(=O)C2=NNC[C@H]2c2ccc(Br)cc2)O[C@@H]1c1ccccc1 1269208 JYTSIWCJAPORSQ-IPELMVKDSA-N 385.261 3.591 0 40 GHAB O=C(Nc1cccc2c1CCCC2)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1363268 JUQGEICMSXVULK-SFHVURJKSA-N 398.528 3.605 0 40 GHAB O=C(Nc1cccc(F)c1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccco3)c(=O)n1C2 4237178 GQLBFQIOSMKLRL-LSDHHAIUSA-N 393.418 3.899 0 40 GHAB biogenic,in-vitro COc1ccccc1CC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6790634 PWFNPWPOKWXSMD-UHFFFAOYSA-N 382.441 3.771 0 40 GHAB CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCCCCC2)C1=O 6965162 BQGPPAWPVFYJET-LGMDPLHJSA-N 388.489 3.524 0 40 GHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)O[C@@H](C)C(=O)c2ccccc2)CC1=O 7881500 AOJAQIRWBILRNC-JXFKEZNVSA-N 393.483 3.979 0 40 GHAB CCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(Cl)cc3)n2)cc1 41253983 OJYFHNXRANZKQS-UHFFFAOYSA-N 395.890 3.833 0 40 GHAB CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c1 10112201 PLRRTCYKJGRHQV-UHFFFAOYSA-N 386.267 3.657 0 40 GHAB COc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1ccccc1C 8571356 YUEBCYQWIWNXMP-UHFFFAOYSA-N 384.501 3.792 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1/C=c1\sc2nc3ccccc3n2c1=O 628027 SJACWJWGUPTGKB-BOPFTXTBSA-N 392.871 3.604 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 17305946 PEFBRQCUWIQJSS-OAHLLOKOSA-N 383.883 3.861 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccc(F)cc1 9366379 OLGDHZFEFKQPME-MRXNPFEDSA-N 375.350 3.680 0 40 GHAB O=c1[nH]c(=S)ccn1[C@H](NC(=S)c1ccccc1)C(Cl)(Cl)Cl 941247 RCMVOZXRJXSTQG-NSHDSACASA-N 394.736 3.740 0 40 GHAB Cc1cc(C)n(CCCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n1 24865951 KYHURRRRCIXEMM-UHFFFAOYSA-N 376.460 3.572 0 40 GHAB CCS(=O)(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 56198685 UCSDOBKGKSVPMJ-HNNXBMFYSA-N 375.494 3.504 0 40 GHAB O=C(NCc1ccc(F)cc1)c1cnc(-c2ccccn2)nc1C(F)(F)F 1387158 PUNMEJBRTBMMMD-UHFFFAOYSA-N 376.313 3.627 0 40 GHAB O=C(NCc1cccs1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 1400119 ZTOOZUHAZKKNBG-UHFFFAOYSA-N 392.402 3.907 0 40 GHAB CC(C)C(=O)Nc1ccc(NC(=O)N2CCN(Cc3ccsc3)CC2)cc1 43674772 IFFFDCYRCNXLJJ-UHFFFAOYSA-N 386.521 3.692 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(-n2ccnc2)cc1 115994852 ZEAVOYPIRGZICG-UHFFFAOYSA-N 375.350 3.586 0 40 GHAB CCc1c(C(=O)N2CCC(c3nc(C)no3)CC2)cnn1-c1cccc(Cl)c1 54664783 UFKFKDVCJJODTK-UHFFFAOYSA-N 399.882 3.799 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)NC2(CCCCC2)C1=O 3341199 UBMGNQQOWIFAOU-SNVBAGLBSA-N 384.263 3.575 0 40 GHAB COCCCOc1cc(CN[C@H](C)c2nc3ccccc3n2C)ccc1OC 72289954 MLEHGJRWCWMYSH-MRXNPFEDSA-N 383.492 3.848 0 40 GHAB Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 101724683 CSNFQULZPKOOSB-BGJURXJTSA-N 398.462 3.805 0 40 GHAB O=C(NCCSCc1cccs1)Nc1ccc(CN2CCOC2=O)cc1 58224631 WAGSXCIBWRSWFS-UHFFFAOYSA-N 391.518 3.755 0 40 GHAB Cc1cc(C)nc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)n1 2259921 QQRWSRQIXSNZBW-UHFFFAOYSA-N 389.531 3.801 0 40 GHAB CC(C)Cn1c(N)c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc21 2219797 YDJXFYODTDVKGE-UHFFFAOYSA-N 387.487 3.795 0 40 GHAB CCOc1ccc(-c2nnc3sc(-c4c(OC)cccc4OC)nn23)cc1 2388903 RNQBUBWZTZMSEA-UHFFFAOYSA-N 382.445 3.936 0 40 GHAB CC(C)CN1CCC(NC(=O)NCc2cc(Br)ccc2F)CC1 45462401 GVMRVIVUOLZWNM-UHFFFAOYSA-N 386.309 3.508 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)N(C)Cc3ccccc3)c12 36713039 ATQRIXUUKHGMNC-CQSZACIVSA-N 393.443 3.613 0 40 GHAB Cc1cc(C)n(-c2ccc(CNCc3c[nH]nc3-c3ccc(F)cc3)cn2)n1 48743467 FJIMSASBMCORDB-UHFFFAOYSA-N 376.439 3.703 0 40 GHAB Cc1ccc(-c2c(C)sc3nc(CN4C[C@H](C)O[C@H](C)C4)[nH]c(=O)c23)cc1 13096519 JPCNPMACVHYJKA-OKILXGFUSA-N 383.517 3.878 0 40 GHAB COc1ccc2[nH]c(=O)c(CN(C(=O)[C@@H]3CCCO3)c3cccc(C)c3)cc2c1 8762761 WOXZCNKNJVFYPG-NRFANRHFSA-N 392.455 3.557 0 40 GHAB COc1ccc(CCCNC(=O)CCCc2nc3ccccc3[nH]2)cc1OC 65123033 ZHFCHMHXFWRCHG-UHFFFAOYSA-N 381.476 3.652 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2OC)cc1Cl 5245307 SOXKJMIISRCMJC-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2cccs2)cs1 4496164 PABJOKTVYGGMOF-UHFFFAOYSA-N 398.918 3.937 0 40 GHAB COc1ccc(-c2csc(NC(=O)CNC(=O)c3cc(C)cc(C)c3)n2)cc1 14226504 MBCRYYUIOBQDAX-UHFFFAOYSA-N 395.484 3.804 0 40 GHAB CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1nc2ccccc2s1 6580888 NPEFGRBZKITBIO-MDZDMXLPSA-N 385.514 3.536 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc2c(c1)OCCO2 6786680 ZUHCOGNPAGYAIA-UHFFFAOYSA-N 381.259 3.835 0 40 GHAB CC(C)(C)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1 6753022 XCGNWYLWYNZTDT-NRFANRHFSA-N 391.471 3.617 0 40 GHAB COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(SC)cc1 6752830 LNJBXEMPNJHEPB-FQEVSTJZSA-N 395.484 3.696 0 40 GHAB CCCCOc1ccc(-c2nc3sc4c(c3c(=O)n2N)CC(C)(C)OC4)cc1 5713218 WAHKKWGBXFOCSX-UHFFFAOYSA-N 399.516 3.869 0 40 GHAB Cc1c(C(=O)N2CCC[C@@H]2C2CCCC2)nnn1-c1ccc2ncccc2c1 66765441 SGQSRRSTXOMEHM-HXUWFJFHSA-N 375.476 3.919 0 40 GHAB O=C(COc1ccc(N2CCCC2=O)cc1)NCc1ccc(Cl)cc1Cl 7062916 DRRZZKIBCRQPHA-UHFFFAOYSA-N 393.270 3.815 0 40 GHAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(F)c(Br)c1 7552517 FEYFUDNJVNPKGO-OAHLLOKOSA-N 397.244 3.654 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)[C@H]1CC=CCC1 7987570 UBAQCWRJQITYNF-INIZCTEOSA-N 378.428 3.640 0 40 GHAB Cc1ccc(-c2noc(CCC(=O)Nc3cccc(C(=O)NC4CC4)c3)n2)cc1 8074075 KFKIYYHUJNFYFM-UHFFFAOYSA-N 390.443 3.509 0 40 GHAB O=C(N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1)[C@H]1CCCCS1(=O)=O 96011201 BBUVGCFEKLRHQU-RBUKOAKNSA-N 397.968 3.915 0 40 GHAB CCS(=O)(=O)c1ccc2oc(S[C@H](C)C(=O)N3CCCCCC3)nc2c1 9448257 WMXGVUOCEWJRGW-CYBMUJFWSA-N 396.534 3.505 0 40 GHAB Cc1ccc(Cc2cnc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)s2)cc1 9487243 HLVZFXBKTNMWLM-SFHVURJKSA-N 378.453 3.763 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H]1CCSc2c(F)cccc21 83859353 XKKCIOPBGXAORZ-CZUORRHYSA-N 388.464 3.844 0 40 GHAB Cc1ccc(S(=O)(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)cc1 71924176 DKRXVHSCQMWNHG-UHFFFAOYSA-N 385.407 3.757 0 40 GHAB CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccc(Oc2ccccc2)cc1 89761708 BMEBILAFDQMGAZ-UHFFFAOYSA-N 382.504 3.909 0 40 GHAB CSc1nccn1-c1cccc(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)c1 89894441 SDYHSIRFLFVAMG-KDOFPFPSSA-N 379.485 3.889 0 40 GHAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)c1 408626538 HZZFJMACJPJKHC-UHFFFAOYSA-N 396.468 3.955 0 40 GHAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C)ccc1OC 409003873 VRIAHRQORTUAHM-LJQANCHMSA-N 395.459 3.781 0 40 GHAB CCN(Cc1ccc(OC)c(F)c1)c1cc(C)nc2nc(C(F)(F)F)nn12 26695603 KWBOJULQHYXVAZ-UHFFFAOYSA-N 383.349 3.626 0 40 GHAB COc1cc(OC)cc(C(=O)/N=c2\sc3c(n2C)-c2ccccc2CC3)c1 409193496 DTQRHMLJLHFJIU-DQRAZIAOSA-N 380.469 3.611 0 40 GHAB COc1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)c(OC)c1 408628344 XHSKWWPVCBHQND-UHFFFAOYSA-N 390.288 3.977 0 40 GHAB CCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 408559993 NYPMSDNVUCRZRK-HNNXBMFYSA-N 398.484 3.544 0 40 GHAB Cn1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1=O 32764546 WVIQHVITMFJETJ-NRFANRHFSA-N 378.497 3.845 0 40 GHAB COc1cccc(CC(=O)N2CCC[C@@H]2c2cccc(Nc3nncs3)n2)c1 72375247 YNAMJIYYSVCJNN-QGZVFWFLSA-N 395.488 3.592 0 40 GHAB COc1cc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)N(C)C)cc1OC 40082412 WFEKALBHQSVEJO-UHFFFAOYSA-N 397.258 3.965 0 40 GHAB Cc1cc(C)cc(C(=O)NCC(=O)Nc2cccc(-c3nc(C4CC4)no3)c2)c1 40153011 QZCJSHDTMSWKOX-UHFFFAOYSA-N 390.443 3.599 0 40 GHAB COc1ccc(NC(=O)N2CC[C@H]3COC(=O)N3c3cc(F)ccc3C2)cc1 225485219 JFQVSHBEJGRDCB-INIZCTEOSA-N 385.395 3.597 0 40 GHAB biogenic,in-vitro Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C 223456502 MEKMAFBBEHTZFP-VQTJNVASSA-N 377.517 3.605 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc12 222476737 HQODIOVWQJAQDL-GOSISDBHSA-N 390.483 3.690 0 40 GHAB COc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225957227 FARRQSIGYLUJPJ-CABCVRRESA-N 385.537 3.769 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C 223853203 MMEQALRGKXDVKF-WOJBJXKFSA-N 378.501 3.920 0 40 GHAB COC(=O)c1cccc(NC(=S)NCc2nc(-c3ccc(C)cc3)no2)c1C 225817355 VTXPEPOEHIRHEB-UHFFFAOYSA-N 396.472 3.627 0 40 GHAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223378011 QHCPLTIIHVVKQQ-RTWAWAEBSA-N 392.528 3.702 0 40 GHAB Cc1sc2nc(S[C@H](C)C(=O)N3CCc4ccccc4C3)nc(N)c2c1C 40063010 XBVFHPSDPNKDDC-CYBMUJFWSA-N 398.557 3.956 0 40 GHAB COC(=O)c1ccc(CS(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222963798 RKEMXFMZTQQEGV-OAHLLOKOSA-N 387.501 3.533 0 40 GHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 223063072 WWSUEIAINXGTHQ-LEWJYISDSA-N 392.528 3.881 0 40 GHAB CC(C)(CNC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)c1cccnc1 576958873 XUOYKPKLDQYTMQ-QHAWAJNXSA-N 379.504 3.573 0 40 GHAB COCCn1c(C(=O)N2CCCN(C)CC2)cc2c1c1ccccc1n2C(C)C 96146359 ALBABJSPVKCAMN-UHFFFAOYSA-N 396.535 3.601 0 40 GHAB O=C(Nc1nccs1)[C@@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 96196258 CXYZGIMWURVQEF-HXUWFJFHSA-N 392.528 3.641 0 40 GHAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N(C)Cc2ccccc2)cc1OC 253394075 AAHHNZIAIKFVPF-AWEZNQCLSA-N 396.443 3.684 0 40 GHAB biogenic,in-vitro CN1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1nccn1C)[C@H]2Cc1ccccc1 257254898 KFELEZJWAAPFFX-ROLQDKDTSA-N 392.547 3.509 0 40 GHAB CN(Cc1ccc2c[nH]nc2c1)[C@H]1CCCN(Cc2ccc3c[nH]nc3c2)CC1 660124831 KXQKQJJQGJOUDF-NRFANRHFSA-N 388.519 3.926 0 40 GHAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O 7071528 DQXMFYQXFCIRSY-RFRKOGIWSA-N 388.489 3.523 0 40 GHAB COCCCn1c(C)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl 5018123 GSNCPFAQKLWOEB-UHFFFAOYSA-N 389.308 3.661 0 40 GHAB COc1ccc(-c2ccc(NS(=O)(=O)c3cc(C)c(OC)cc3C)cc2)nn1 5150715 FWEZNNFNXIKOJD-UHFFFAOYSA-N 399.472 3.578 0 40 GHAB Cc1nc(NCCc2ccccc2)c2nnn(Cc3ccccc3Cl)c2n1 12481809 YMSDXFWAUQDRNR-UHFFFAOYSA-N 378.867 3.886 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CCc2ncc(-c3ccccc3)o2)c(C)c1 12922726 VALYYSIZMKFOIU-UHFFFAOYSA-N 391.471 3.954 0 40 GHAB CCC[C@@H](C)NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 14396842 SJYCETYURXDWBW-GFCCVEGCSA-N 395.352 3.844 0 40 GHAB COc1cc(CCC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc(OC)c1 15610304 FOSIVMYIJSKUBH-UHFFFAOYSA-N 396.487 3.948 0 40 GHAB CNc1cc(C2CCN(C(=O)c3ccccc3F)CC2)nc(-c2ccncc2)n1 19592291 ZTJCKJZGDJHNHZ-UHFFFAOYSA-N 391.450 3.739 0 40 GHAB Cc1ccc(C)c(-c2nc(CSc3nc4c(=O)[nH]c(C)nc4n3C)c(C)o2)c1 19625920 JWIGUZQBIOPHNJ-UHFFFAOYSA-N 395.488 3.838 0 40 GHAB Cc1cc(C)c(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c(C)c1 19930718 MFKXQYCNCHNYEE-UHFFFAOYSA-N 386.517 3.624 0 40 GHAB C[C@@H](NC(=O)c1cnc(-c2ccccc2)[nH]c1=O)c1ccc(Br)cc1 19937336 LIOLAAAXZNWLJQ-GFCCVEGCSA-N 398.260 3.690 0 40 GHAB CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1 6346370 APADSNRINHJQDP-YVLHZVERSA-N 384.457 3.756 0 40 GHAB O=C(Cc1cc(O)nc(SCc2ccccc2F)n1)Nc1cccc(F)c1 23243022 FFYQCZCLOZXIJL-UHFFFAOYSA-N 387.411 3.934 0 40 GHAB Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1 1133855787 KYOVNKRERCTNJL-HXUWFJFHSA-N 392.434 3.913 0 40 GHAB Cc1nc(C)c(CN2CCC[C@@H](COc3ncc(Br)cn3)C2)s1 1775995993 QFEDNZSZKWUJOW-CYBMUJFWSA-N 397.342 3.603 0 40 GHAB CCN(CC)C(=S)S[C@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O 1465930 DHXHSOCQYKJUHK-HNNXBMFYSA-N 382.526 3.707 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1c(C)nc2sccn2c1=O 8931655 MFHZJVBHYMYBSF-UHFFFAOYSA-N 382.470 3.749 0 40 GHAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2ccc(Cl)cc2)CC1 2055747570 ISTFFXHDDBALID-UHFFFAOYSA-N 387.911 3.541 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1cc(-c2ccco2)cs1 1775971300 ILJMNZUNPVUBML-AWEZNQCLSA-N 397.905 3.982 0 40 GHAB CCOC(=O)CCNC(=O)Nc1ccccc1NC(=O)c1ccccc1Cl 36709615 KRBLXJXGOULOMQ-UHFFFAOYSA-N 389.839 3.667 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCCN(Cc2ccccc2)CC1 40017420 WXSHZTHEVRGGFF-UHFFFAOYSA-N 375.472 3.998 0 40 GHAB O=C(Nc1ccc(-n2cccn2)c(F)c1)C1CCN(C(=O)c2cccs2)CC1 40150939 JSKFPTJSJGAWKK-UHFFFAOYSA-N 398.463 3.564 0 40 GHAB Cc1cc(C)n(Cc2cccc(NC(=O)[C@]3(C)Oc4ccccc4N=C3O)c2)n1 40286022 VLBKOPSMJMVUQI-QFIPXVFZSA-N 390.443 3.926 0 40 GHAB CC/C(N[C@@H](C)c1ccccc1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 20290821 IPWWTMZCTITZLW-UHHPSXQGSA-N 377.444 3.593 0 40 GHAB COC(=O)CCCN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 32278725 IAEICLLQGIHGNY-UHFFFAOYSA-N 394.880 3.679 0 40 GHAB CCCN(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@@H]1CCS(=O)(=O)C1 20815611 FXPACYZDWDGXEV-CYBMUJFWSA-N 381.881 3.639 0 40 GHAB O=C(NCCc1cccc(F)c1)NC[C@@H]1CCCN(Cc2cccs2)C1 60244747 LTHJRCCCJZGBTK-KRWDZBQOSA-N 375.513 3.641 0 40 GHAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)NC1CC1 878006 LCGOZLKDMLJBDG-UHFFFAOYSA-N 383.498 3.919 0 40 GHAB CC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 2665192 YCXJDXSWDDIUPA-NSHDSACASA-N 394.349 3.848 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2C)cc1 899412 MCWFNNBZLUPFCY-UHFFFAOYSA-N 398.488 3.620 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 2644742 KFKCCQLZCUAASE-UHFFFAOYSA-N 397.500 3.524 0 40 GHAB CC[C@@H]1[C@@H](OC(=O)CC(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 1641782 LGCQVJSQUJNJEC-GGAORHGYSA-N 379.500 3.729 0 40 GHAB Brc1cccc(Nc2nc3nonc3nc2NCc2ccco2)c1 3066399 WPRLPYITOQWXEW-UHFFFAOYSA-N 387.197 3.724 0 40 GHAB COC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1 3510339 WSLPQKCBDMIFTO-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 3602563 CYTCGLACDUVBIM-UHFFFAOYSA-N 383.429 3.759 0 40 GHAB Cc1ccc2cc(CN(CCCO)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1C 4231198 JKWQYRZZBKXQCZ-UHFFFAOYSA-N 397.450 3.701 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1 4410393 FTZCRFSVPYTWDD-GHMZBOCLSA-N 396.563 3.734 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 4610542 WIEGNCNILRUAAH-SFHVURJKSA-N 394.471 3.862 0 40 GHAB Fc1ccccc1Cn1nnc2c(NC3C4CC5CC(C4)CC3C5)ncnc21 4985554 UAXOCFJBMXPCEK-UHFFFAOYSA-N 378.455 3.645 0 40 GHAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(Br)c2)cc1 6238432 ZCXSYQYHBARBKM-UHFFFAOYSA-N 392.278 3.534 0 40 GHAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCc2sccc2[C@@H]1c1ccccc1 52611489 PNVRPYZUCZTLIT-LIRRHRJNSA-N 380.469 3.634 0 40 GHAB Cc1cc(C[S@@](=O)[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)on1 84124415 ZMIXQCNJVSKQNY-IJRMKIOGSA-N 394.802 3.931 0 40 GHAB Cc1ccccc1CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 7109178 BDUYXKWVNGJZIC-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB CC(C)(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 32911871 OYHKIDPHWRMGTG-LJQANCHMSA-N 375.490 3.914 0 40 GHAB Cc1cccc(N2C(=O)N(c3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)c1C 8064210 FYYSYSMIRGHJST-MSOLQXFVSA-N 390.892 3.569 0 40 GHAB C[C@H](NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1)c1ccccc1 8221561 SMKFPWZFNLOPLR-HNNXBMFYSA-N 377.396 3.793 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 9062733 PGOBKBREPGMVJI-QFIPXVFZSA-N 389.559 3.809 0 40 GHAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 3186064 FALCSNQWIXSHNC-UHFFFAOYSA-N 379.743 3.858 0 40 GHAB COc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)ccc2OC)c1 23050736 MQIJKPTXDWVTKJ-UHFFFAOYSA-N 383.473 3.929 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1C 12599163 OTIJUUUESUJSLG-UHFFFAOYSA-N 376.459 3.530 0 40 GHAB COc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1 101277063 NXQPMCFVKKERRF-CYBMUJFWSA-N 395.242 3.755 0 40 GHAB Cc1cnc(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)cn1 3251256 HMOOSSSNHYMAJG-UHFFFAOYSA-N 379.441 3.732 0 40 GHAB CN(C)C(=S)Oc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 1434615 VCJUUOAWFMIBDA-UHFFFAOYSA-N 379.279 3.927 0 40 GHAB CC[C@H](NC(=O)c1ccc(OC)c(OC(F)F)c1)[C@H](O)c1ccccc1F 72311578 PKLXWTZKRYUCJN-WMLDXEAASA-N 383.366 3.678 0 40 GHAB CCCn1c(SCCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccncc1 58177920 RSPLUXXJUACQEF-UHFFFAOYSA-N 397.504 3.880 0 40 GHAB CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)O 2103214 GBVFPGPXTHTWFB-KRWDZBQOSA-N 399.443 3.767 0 40 GHAB biogenic CCc1cccc(NC(=O)CNc2ccccc2CN2CCC(CO)CC2)c1 58316596 NOTXEKXBCFZOKS-UHFFFAOYSA-N 381.520 3.504 0 40 GHAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(C(=O)O)c(O)c1 408566896 BIRCBCKFFPWKLY-UHFFFAOYSA-N 391.470 3.587 0 40 GHAB CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 12748670 MTHAHAZVHYTJDR-LBKOFNPBSA-N 378.472 3.976 0 40 GHAB CCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(-n4cnnn4)cc3)s2)cc1 12768093 SSLYVJPRMSCENN-UHFFFAOYSA-N 390.472 3.909 0 40 GHAB Cc1sc2nc([C@H](C)Sc3nncn3Cc3ccco3)[nH]c(=O)c2c1C 12782076 IXVNELQUTRODSR-NSHDSACASA-N 387.490 3.688 0 40 GHAB CCOC(=O)c1c(NC(=S)NC(=O)c2cccs2)sc2c1CCCC2 2363247 DUVQSNWGXGABAI-UHFFFAOYSA-N 394.543 3.992 0 40 GHAB CC(C)CCn1c(N)c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc21 2435287 DFJPGXRYMDUTBY-AWEZNQCLSA-N 382.464 3.549 0 40 GHAB C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)N1CCOCC1 36795363 JXKCKEFRXYGMHP-AWEZNQCLSA-N 397.475 3.775 0 40 GHAB CCC(=O)N(c1nnc(SCc2nc(-c3ccsc3)no2)s1)C1CC1 12805805 WCQCHTUUEBPMQP-UHFFFAOYSA-N 393.519 3.847 0 40 GHAB C[C@H](CNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)N1CCc2ccccc2C1 45866570 GCPICPLBEMZIJD-JLSDUUJJSA-N 383.458 3.854 0 40 GHAB COc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c1 3509989 KWLDKJNMXLOWAN-UHFFFAOYSA-N 390.439 3.918 0 40 GHAB O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12993875 MVGAKTPXHSTSMS-CSNYQSHPSA-N 387.439 3.778 0 40 GHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113950504 HIJFJUJNBZSLJM-HXUWFJFHSA-N 387.911 3.888 0 40 GHAB COc1cccc(-n2nnnc2SCC(=O)c2ccc(Cl)c(Cl)c2)c1 28047799 UTBAPDCOGMGJMG-UHFFFAOYSA-N 395.271 3.953 0 40 GHAB CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCO2)c2c[nH]c3ccccc23)cc1 9469821 MADVDVQICRSPOV-SIKLNZKXSA-N 377.488 3.661 0 40 GHAB CCN1c2ccc(C(=O)NC3CCCCC3)cc2-c2ccccc2S1(=O)=O 64762047 XXGZYNRHZYLHAP-UHFFFAOYSA-N 384.501 3.945 0 40 GHAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc(-n2cnnn2)cc1 5034649 AOKXOGMYLAKJKO-UHFFFAOYSA-N 396.863 3.615 0 40 GHAB CCn1c(SCc2cccc(Cl)c2)nc2cc(S(N)(=O)=O)ccc21 5071578 QBKHBFSKVBLJBH-UHFFFAOYSA-N 381.910 3.649 0 40 GHAB C[C@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 5279007 RVHOEBOKIDOQQC-ZDUSSCGKSA-N 378.444 3.921 0 40 GHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(OC)c1 6376225 CTEXLZGIFPGVGY-UHFFFAOYSA-N 380.366 3.815 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCCO3)N1CCCCCC1 14000755 YXKYBYVIPCQLJP-UHFFFAOYSA-N 397.397 3.619 0 40 GHAB O=C(C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccccc1O 4556208 VBSRHPQCGNYJJR-HSZRJFAPSA-N 391.398 3.539 0 40 GHAB Cc1ccc(-c2nnn(CC(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)n2)cc1 5491870 WHBZJYPPDCLPTE-LBPRGKRZSA-N 390.274 3.833 0 40 GHAB CCOc1ccc(N/C(C)=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 9111614 APJTVBURQAUPTE-ATVHPVEESA-N 399.834 3.708 0 40 GHAB CN(CCOc1ccc(Br)cc1)CC(=O)Nc1ccccc1F 6882306 HUQLBWMELWJBNX-UHFFFAOYSA-N 381.245 3.538 0 40 GHAB CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)nc1C 4911087 AUNFBNTWQWALFL-JTQLQIEISA-N 390.490 3.624 0 40 GHAB CN(CC(=O)N(Cc1ccco1)C1=CCCCC1)C[C@@H]1COc2ccccc2O1 15297200 ZRRZFUWBJXOWQB-HXUWFJFHSA-N 396.487 3.838 0 40 GHAB CCc1ccc2c(CC(=O)Nc3cc(OC)c(OC)cc3C(=O)OC)coc2c1 7058634 FXIITYMFXJEIKR-UHFFFAOYSA-N 397.427 3.980 0 40 GHAB O=S(=O)(NCCSc1ccc(Br)cc1)c1ccc(F)cc1 7216031 CINGQVKHRUXKNT-UHFFFAOYSA-N 390.299 3.659 0 40 GHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCSCc1cccs1 7271900 YGTJYPUNMAABDY-HNNXBMFYSA-N 378.544 3.601 0 40 GHAB Cc1cc(NC(=O)c2csc(Cc3ccccc3F)n2)ccc1OCCO 96008212 KWVZWMAYMWECKI-UHFFFAOYSA-N 386.448 3.805 0 40 GHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(C(F)(F)F)c1 7654524 NDCAEQGNGKNHNF-UHFFFAOYSA-N 375.350 3.903 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H](C)Sc2ccccc2)n1 7814616 VYJCKWVYINHTFQ-CQSZACIVSA-N 395.488 3.730 0 40 GHAB O=C(CSc1nnc2ccc3ccccc3n12)Nc1nc2c(s1)CCCC2 7997289 PJWDMRSITQZQDD-UHFFFAOYSA-N 395.513 3.949 0 40 GHAB Cc1ccccc1-n1cnnc1SCC(=O)c1cccc(N2CCCC2=O)c1 9339355 AFSLMCMNVQZXDR-UHFFFAOYSA-N 392.484 3.678 0 40 GHAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3O)C2=O)c1 409245710 XZACJVKJXLUTAM-OQLLNIDSSA-N 387.233 3.556 0 40 GHAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)c1ccc2c(c1)CCCC2 9548610 QWRFZHOSIZSLFT-MRXNPFEDSA-N 389.546 3.983 0 40 GHAB Cc1cc(C)n(CCC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)n1 77781857 FLMWTMWHMCEAFF-HDICACEKSA-N 382.552 3.684 0 40 GHAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccsc2)CC1 79095693 ZHFCIGRHJBYJFE-CQSZACIVSA-N 376.501 3.912 0 40 GHAB Cc1ccc(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1 22432262 WUVDGJKHJWMAAW-FQEVSTJZSA-N 388.533 3.665 0 40 GHAB COc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccccc3C)o2)cc1 408562241 OIAWJDRQEKWXFU-UHFFFAOYSA-N 394.427 3.544 0 40 GHAB c1cc(N2CCCC2)n2cc([C@H]3CN(C4CCC4)CCN3CC3CC3)nc2c1 306141246 VPODVXDWODDIOT-OAQYLSRUSA-N 379.552 3.556 0 40 GHAB O=C(NC[C@H](O)c1ccccc1)c1cc2occc2n1Cc1ccccc1F 36360006 BBAMODHPQQGEOB-FQEVSTJZSA-N 378.403 3.885 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)[C@H](c3ccccc3)N3CCCC[C@@H]3C)cc2NC1=O 36748683 LDIYXNVMTYBEDU-QYWGDWMGSA-N 393.487 3.960 0 40 GHAB CCn1ncc(CNC(=O)Nc2nc(C)c(Cc3cccc(Cl)c3)s2)n1 529113935 HVABGYOWXVNSHF-UHFFFAOYSA-N 390.900 3.629 0 40 GHAB COc1cc(CN2CC[C@H](NC(=O)Nc3ccc4c(c3)CCC4)C2)cc(OC)c1 531039412 YOGFLZGLGWZUSQ-FQEVSTJZSA-N 395.503 3.589 0 40 GHAB O=C(C1CCC(OC[C@@H]2CCCO2)CC1)N1CC[C@]2(CCc3ccccc3O2)C1 552776227 ZRMPJUWJFYVKQN-AUDFTCOISA-N 399.531 3.737 0 40 GHAB CCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 39743493 WTNRMPBCOOYZSE-UHFFFAOYSA-N 382.445 3.815 0 40 GHAB COc1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1OC 30551841 PPROKFKXHPEYEI-UHFFFAOYSA-N 396.531 3.939 0 40 GHAB O=C(Nc1ccccc1F)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 48355459 LVSMIKJXMAEOSH-UHFFFAOYSA-N 395.356 3.834 0 40 GHAB Cc1cc(C)c(NC(=O)COc2cc(C)nc(N3CCC[C@H](C)C3)n2)c(C)c1 44168385 XTRAPSRLYQXDSU-AWEZNQCLSA-N 382.508 3.964 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl 223239203 QHWCOZMZUYMZQE-GOSISDBHSA-N 394.849 3.714 0 40 GHAB O=C(COCCOc1ccccc1)Nc1ncc(Cc2cccc(F)c2)s1 40133536 CQVKNGOLCSQYSU-UHFFFAOYSA-N 386.448 3.907 0 40 GHAB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)C2CCCCC2)c2ccccc2O1 222973012 KVYCAJIUTCCXHB-QFIPXVFZSA-N 392.499 3.720 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 224125442 KXVQAWYXZJCRJM-OAQYLSRUSA-N 396.531 3.934 0 40 GHAB CCc1ccc(O[C@H](CC)C(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1 222901288 YBUBZDFFUZPZSC-LJQANCHMSA-N 395.459 3.781 0 40 GHAB COc1cccc(OCCNC(=O)CSCc2c(F)cccc2Cl)c1 223456403 BEANNVQHMBJPPR-UHFFFAOYSA-N 383.872 3.916 0 40 GHAB CC[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccccc1C 224393747 BRSGXJFMOWZQFO-FQEVSTJZSA-N 386.517 3.806 0 40 GHAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1C 225706691 HJXAQAQBOFVPTH-HNNXBMFYSA-N 391.562 3.747 0 40 GHAB Cc1noc(C)c1CSc1ccccc1C(=O)NCC(C)(C)CN(C)C 40159677 XKQKJOKTXUIIBQ-UHFFFAOYSA-N 375.538 3.901 0 40 GHAB CC(C)(CNC(=O)N[C@@H]1c2ccccc2CC12CCOCC2)c1cccnc1 577203683 IBXVIUXQJHAYFA-HXUWFJFHSA-N 379.504 3.753 0 40 GHAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](CN3C3CCC3)Oc3ccccc32)cc1 96111875 OAZXJWVHROAYBQ-FPOVZHCZSA-N 378.472 3.616 0 40 GHAB biogenic,in-vitro CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@H]1O 248272290 QQCOAAFKJZXJFP-FTPCGKMYSA-N 382.541 3.521 0 40 GHAB CN(C)C(=O)c1sc2nc([C@@H]3CCCN3C(=O)OC(C)(C)C)ccc2c1N 257275336 NOXHRMAUMCTHDM-ZDUSSCGKSA-N 390.509 3.652 0 40 GHAB Cc1cc(=NC(=O)N2CC(Cc3ccccc3Br)C2)[nH]n1C(C)C 585123678 KURSAABXRFWXGU-UHFFFAOYSA-N 391.313 3.663 0 40 GHAB O=C(COc1cccnc1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257318731 VPDJYBUEBYWQLH-IBGZPJMESA-N 381.407 3.542 0 40 GHAB CC(C)(C)C(=O)N1CCC(Cc2cccnc2-c2cncc(C(=O)O)c2)CC1 257223060 DVTAOLNGMLZWOU-UHFFFAOYSA-N 381.476 3.669 0 40 GHAB c1cc(-c2cncnc2)nc([C@H]2CN(Cc3ccnc4ccccc34)CCO2)c1 257254518 KDLRJMYUPWVDSH-HSZRJFAPSA-N 383.455 3.660 0 40 GHAB O=C(O)c1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)c(OCC(F)F)c1 630255479 JKVZRSNYGPBZNE-HNNXBMFYSA-N 391.370 3.785 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)cc2)cnc1Br 97083578 BEZOSDHQMLDDCD-UHFFFAOYSA-N 385.283 3.741 0 40 GHAB Cc1cc(CN2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)cc(C)c1O 1615123659 UOJNYRVVRGVPTP-XMMPIXPASA-N 394.515 3.797 0 40 GHAB O=C1OC(c2ccccc2)=N/C1=C/c1ccccc1I 1084819 BNLRJIBRLZANNH-GXDHUFHOSA-N 375.165 3.636 0 40 GHAB COc1cc(/C=C/c2cccc[n+]2C)ccc1OCC(=O)Nc1ccccc1 5002328 UPRACGLACOKYPM-ACCUITESSA-O 375.448 3.708 0 40 GHAB Cc1cccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 11612820 PVCJTNWJASYFBV-SFHVURJKSA-N 390.480 3.706 0 40 GHAB CC[C@@H](CN1CCCC1)NC(=O)Cc1csc(Nc2ccccc2F)n1 12362853 JOYCFDVCFQLQGW-AWEZNQCLSA-N 376.501 3.559 0 40 GHAB CCn1c(C)cc(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)c1C 12567216 OJUANDUQUCMTTC-CYBMUJFWSA-N 380.539 3.542 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)cc1 15176731 UVBIKKISJRLJCR-LJQANCHMSA-N 399.878 3.673 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)[C@H]2C[C@@H]2C)C1 19463048 LTZSBJXRIKQKHE-NVVBAYIOSA-N 396.556 3.968 0 40 GHAB CCc1nn(C)c(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)c1C 19521025 CPIMECVIZGCCBN-KJXAQDMKSA-N 394.563 3.774 0 40 GHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)C2CC2)C1 19528804 FRBBNOMZTGRMPE-XMMPIXPASA-N 394.490 3.800 0 40 GHAB CN1CCC(n2nccc2NC(=O)c2cc(-c3ccccc3Cl)no2)CC1 19660875 CGLUOYXZMSZZCM-UHFFFAOYSA-N 385.855 3.711 0 40 GHAB Cc1nc(C2CCN(CC(C)C)CC2)ncc1C(=O)NCc1ccc(F)cc1 19763903 ZDBVBGQOVIWDRZ-UHFFFAOYSA-N 384.499 3.690 0 40 GHAB Cc1cccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3ccccn3)CC2)c1 12337166 CDXVUAMWGHTTIA-XMMPIXPASA-N 391.490 3.933 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)c1ccccc1OC)Cc1ccccc1O2 19592006 LMLHKUJBLOLMCI-UHFFFAOYSA-N 380.488 3.631 0 40 GHAB COc1cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc(OC)c1OC 19549755 JDWWLDOTWBTOGS-KRWDZBQOSA-N 381.476 3.968 0 40 GHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccccc2CN2CCOCC2)o1 32210388 CHXLHXDXBPJACA-LMYPLALOSA-N 380.488 3.565 0 40 GHAB Cc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 4263997 YVEBDETWMREOII-OAHLLOKOSA-N 386.517 3.976 0 40 GHAB CN(C)CCN(C(=O)c1ccc(F)cc1)c1nc2c(F)cc(F)cc2s1 4359417 VCUKDKCSCSBRSU-UHFFFAOYSA-N 379.407 3.922 0 40 GHAB Cc1ccc(N(C(=O)c2cccc(Cl)c2)[C@H]2C=CS(=O)(=O)C2)cc1C 5071197 HKVZKGYNDVYPLM-SFHVURJKSA-N 375.877 3.914 0 40 GHAB Cc1ccc(N2C[C@H](NC(=O)Nc3ccc(Br)cc3)CC2=O)cc1 5123519 FAZUOZLDXOPWCL-OAHLLOKOSA-N 388.265 3.685 0 40 GHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc21 8840613 POMHWMFCKRSJJP-UHFFFAOYSA-N 392.908 3.971 0 40 GHAB COc1ccc(-c2nc3c(sc(=S)n3Cc3ccccc3)c(=O)[nH]2)cc1O 9669205 XWSVFHOUJAVUIP-UHFFFAOYSA-N 397.481 3.945 0 40 GHAB CC(C)c1cc(C(=O)NCc2cccnc2)nn1-c1nc2ccccc2s1 12223588 ZTAQIMWNCDOODB-UHFFFAOYSA-N 377.473 3.930 0 40 GHAB O=c1cc(-c2ccc(F)cc2)nc(SCc2nc(-c3ccccc3)no2)[nH]1 12414997 FTCQICUSGNJPOT-UHFFFAOYSA-N 380.404 3.918 0 40 GHAB COc1ccc(C)cc1NC(=O)CCCn1nc(-c2ccc(C)cc2)ccc1=O 12441129 ADIXVOSORIEVCN-UHFFFAOYSA-N 391.471 3.955 0 40 GHAB CS(=O)(=O)c1ccc(Nc2nc(C(=O)NCC3CCCCC3)cs2)cc1 35596799 YHFXTHOHJPUQRP-UHFFFAOYSA-N 393.534 3.600 0 40 GHAB FC(F)(F)c1ccc(N2CCN(c3ccc(Br)cn3)CC2)cn1 2298048645 POGPPWBBKOCMPR-UHFFFAOYSA-N 387.203 3.585 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(Oc3ccccn3)c2)cc1 40050427 BWNNPMWOJXRBDY-UHFFFAOYSA-N 384.413 3.600 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1ccc(OC(C)C)cc1)CC(O)=N2 31819048 AKBGBQAWHIPEBI-HNNXBMFYSA-N 379.420 3.587 0 40 GHAB CCN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 20732966 BWWIFDMCFOQEGK-QFIPXVFZSA-N 393.487 3.510 0 40 GHAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)Oc1ccc(NC(C)=O)cc1 32602136 RUYHZAXICSYJDB-UHFFFAOYSA-N 383.853 3.773 0 40 GHAB Cc1ccccc1-n1c(=O)c2c3c(sc2n2c(S)nnc12)COC(C)(C)C3 2198881 KYZQUJDZAPZLNF-UHFFFAOYSA-N 398.513 3.543 0 40 GHAB CCCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccoc1C 4388545 YWKNNZFBCODQSL-UHFFFAOYSA-N 392.510 3.537 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)cc1 6892446 UMWDGCKBGMDBOF-UHFFFAOYSA-N 378.837 3.564 0 40 GHAB COc1ccc(-n2ccnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 6935146 PVVXZYUAZWPLQZ-LJQANCHMSA-N 379.485 3.993 0 40 GHAB COC(=O)[C@]12CC[C@@](C)([C@H](OC(=O)c3cc4ccccc4oc3=O)C1)C2(C)C 101528226 HRLPOZCJNLVAKW-XGRCMKMKSA-N 384.428 3.708 0 40 GHAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccccn1 32906616 UEGUKIWEMUXLAL-UHFFFAOYSA-N 385.467 3.801 0 40 GHAB COc1cc(OC)cc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 18132358 UNTSZEHZIFBAFZ-UHFFFAOYSA-N 379.460 3.779 0 40 GHAB Cc1cccc(N2C(=O)N(c3ccccc3Cl)[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 8064213 FYYSYSMIRGHJST-ZWKOTPCHSA-N 390.892 3.569 0 40 GHAB CCCn1c(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)nc2ccccc21 22324364 ANVZNRDWXICNFT-INIZCTEOSA-N 376.460 3.976 0 40 GHAB Fc1cccc(-c2nnc3sc(-c4cnn(-c5ccccc5)c4)nn23)c1F 12321099 QQVZMNGSDBZUIJ-UHFFFAOYSA-N 380.383 3.984 0 40 GHAB COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccco3)cc2)c1 992955 NAERALLZBCQYIG-UHFFFAOYSA-N 380.352 3.547 0 40 GHAB Cn1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c2ccccc21 1012828 XKEYIUYWCSCMTA-WOJGMQOQSA-N 391.452 3.853 0 40 GHAB C[C@H]1CN(Cc2ccccc2NC(=O)N2CCc3ccccc3C2)C[C@H](C)O1 47569301 FADGCXSBFIJQAM-ROUUACIJSA-N 379.504 3.886 0 40 GHAB COCCn1c(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nc(C)c1C 47560877 YAYAPVIRTUMBSH-ZDUSSCGKSA-N 392.550 3.914 0 40 GHAB COc1cc(C(=O)NCCSc2ccc(Cl)cc2)cc(OC)c1OC 3133760 CRELAKYOFRUKTN-UHFFFAOYSA-N 381.881 3.888 0 40 GHAB O=c1c2ccccc2c(-c2cccs2)nn1C[C@H](O)COCc1cccs1 24992046 VTFCGHCYLCGFOF-AWEZNQCLSA-N 398.509 3.764 0 40 GHAB Cc1ccc(C(=O)Nc2ccncc2)cc1S(=O)(=O)Nc1ccc(F)cc1 12545574 XJHJJFUCDYPJKF-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB CCSc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 55648965 LAQHUMHOECBUFT-UHFFFAOYSA-N 380.491 3.566 0 40 GHAB O=C1COc2ccc(C(=O)CSc3nccn3-c3ccc(Cl)cc3)cc2N1 26042202 DLNUOOZIBNEFLI-UHFFFAOYSA-N 399.859 3.832 0 40 GHAB CCCn1c(SCc2nnnn2-c2ccccc2)nnc1-c1cccc(C)c1 9514650 PSWSRSNFBBXPDR-UHFFFAOYSA-N 391.504 3.932 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 27571247 QCOKDFHRSWSQOQ-GHTZIAJQSA-N 393.531 3.777 0 40 GHAB CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cc(OC)ccc3OC)NC(=O)CN21 2125827 CUYYICLGBBNNAK-LCJITAHGSA-N 392.499 3.903 0 40 GHAB biogenic COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1 2319222 XZYMRRLIBSVLTM-UHFFFAOYSA-N 398.415 3.541 0 40 GHAB CCOC(=O)[C@@](NC(=O)c1ccccc1)(OCc1ccc(F)cc1)C(F)(F)F 2322770 HPIVOIQGTGSIEG-GOSISDBHSA-N 399.340 3.594 0 40 GHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1c(F)cccc1Cl 3327925 HHEXHJLDXRIGCY-LBPRGKRZSA-N 378.831 3.709 0 40 GHAB COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1COc1cccc(Cl)c1 36624026 AURFSVHFWJKDET-WBVHZDCISA-N 379.865 3.716 0 40 GHAB CCCOC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12 2416533 LWZPNIGHDYVXMN-UHFFFAOYSA-N 376.416 3.731 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 12777971 VARBDPXYYBMUCC-CQSZACIVSA-N 395.528 3.982 0 40 GHAB CCSc1nnc(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)s1 11429522 OQGWYWNAGNZFQX-GFCCVEGCSA-N 384.914 3.510 0 40 GHAB O=C(CCc1nc2ccccc2[nH]1)NC[C@H]1CCCN(Cc2ccccc2)C1 62230978 VXNLMYKGOFPQNF-LJQANCHMSA-N 376.504 3.524 0 40 GHAB COc1ccc(C)cc1NC(=O)Cn1cnc2c(sc3ccccc32)c1=O 45942817 LGUIIUUPCMLRPB-UHFFFAOYSA-N 379.441 3.567 0 40 GHAB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC3CC3)c2C1 3464992 XMKUWHBRSJHETN-CQSZACIVSA-N 380.488 3.821 0 40 GHAB COC(=O)NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3441548 NAFKORXPVRRQCD-UHFFFAOYSA-N 398.802 3.595 0 40 GHAB COCCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccc(Cl)cc1 3529301 IBPXAKACZXOZMI-UHFFFAOYSA-N 396.944 3.642 0 40 GHAB COc1ccc(NC(=O)[C@@H](NC(=O)Cc2cccs2)c2ccccc2)cc1 3615206 FVIFUHYJBMLUAX-FQEVSTJZSA-N 380.469 3.795 0 40 GHAB aggregator COC(=O)c1cnc(NC(=O)c2cc(Br)ccc2Cl)s1 13003415 GJMMYTIURKJEPZ-UHFFFAOYSA-N 375.631 3.598 0 40 GHAB Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c(Cl)c1 8705134 HIRUDNLTGQJWJX-UHFFFAOYSA-N 380.897 3.896 0 40 GHAB COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4cccs4)C[C@@H]32)cc1 306131840 KQRFNWHLWDTITL-SFTDATJTSA-N 393.512 3.640 0 40 GHAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)c1 49083765 JKQLANMWDANMRZ-OAHLLOKOSA-N 393.487 3.510 0 40 GHAB O=C(/C=C/c1cccs1)N1Cc2cccn2C[C@H](OCc2ccncc2)C1 306127059 FNJFHYRYWZJUCF-UEKDZROGSA-N 379.485 3.586 0 40 GHAB Cc1ccnc(NC(=O)CN(C)c2ncnc3sc4c(c23)CC[C@@H](C)C4)c1 65613646 FPNCXBHEYPOOOL-GFCCVEGCSA-N 381.505 3.594 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2)c1 5447163 NTBUHGPFLCPSQO-UHFFFAOYSA-N 380.897 3.552 0 40 GHAB C/C=C/C(=O)OCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 6559117 MOGDGORAPFJOGM-VBAWXRRRSA-N 393.892 3.869 0 40 GHAB C[C@@H]1CCC[C@H](NC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)[C@@H]1C 4699105 UDHRNHSAWUGIFW-BZPMIXESSA-N 387.307 3.889 0 40 GHAB COc1ccc(Br)cc1CSc1nnc2nc(C)cc(C)n12 7188146 GWFSBGIKHQIUGU-UHFFFAOYSA-N 379.283 3.805 0 40 GHAB CCSc1nc2n(n1)[C@@H](C(C)C)C(C(=O)Nc1ccccc1OC)=C(C)N2 80324743 YXUQSUOGZMIJNH-INIZCTEOSA-N 387.509 3.934 0 40 GHAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 7306956 BQBSTGOWSQWZOW-AWEZNQCLSA-N 388.514 3.873 0 40 GHAB O=C(O)COc1ccc(NC(=O)c2ccco2)cc1-c1nc2ccccc2o1 20158053 BFGLLEDHFREAMX-UHFFFAOYSA-N 378.340 3.804 0 40 GHAB CC(C)Oc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 408709170 YICDFNKQEWLRBX-MRXNPFEDSA-N 386.879 3.797 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3nc(-c4ccccn4)cs3)CC2=O)cc1 7974013 SNQJTZSYVMXWFG-CQSZACIVSA-N 378.457 3.505 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(OCc2cscn2)cc1 8429344 HILHXBRRFGBPNI-UHFFFAOYSA-N 382.441 3.723 0 40 GHAB COc1ccc(CSc2nnc(Nc3cccc(Cl)c3)c(=O)n2C)cc1 28538941 PHCQOEVMUADFII-UHFFFAOYSA-N 388.880 3.873 0 40 GHAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc4C3)cc2c1C 9551926 NIGFGXSGBKKFBK-INIZCTEOSA-N 376.456 3.915 0 40 GHAB O=C(Cc1ccn(-c2ccc(F)cc2)n1)OC[C@H]1CCN(c2ccccc2)C1 78989473 YBMPHFDGFLJLMO-KRWDZBQOSA-N 379.435 3.624 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3cc(C)nc4c3c(=O)[nH]n4C)n2)c(C)c1 95959859 SXVRVWRIOVXERR-UHFFFAOYSA-N 393.472 3.563 0 40 GHAB CCOc1ccccc1N1CCN(C(=O)c2c(F)ccc(OCC)c2F)CC1 89271994 HXOWWYMFTCJKQS-UHFFFAOYSA-N 390.430 3.725 0 40 GHAB CC(C)CONC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 89840299 XLKWFAZXIKLUMV-UHFFFAOYSA-N 378.538 3.887 0 40 GHAB CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 27662016 WCDNRWJSUDQKEQ-HXUWFJFHSA-N 388.895 3.542 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2cccc(Cl)c2)cc1F 408693202 KIXJKZHWBPALEQ-UHFFFAOYSA-N 389.901 3.699 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 28207102 ZKRVLCPTRWQKNO-CVEARBPZSA-N 386.517 3.745 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCn4cccc4)c(C)c3cc12 524731244 PUNDFPKDSVBEMI-UHFFFAOYSA-N 378.428 3.625 0 40 GHAB biogenic Cc1ccc(N2C(=O)CCC2=O)cc1NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 528380844 OOTCHCXDGPOPOJ-MSOLQXFVSA-N 380.419 3.920 0 40 GHAB Cn1ncc2cc(C(=O)NCc3ccc(-c4ccc5c(c4)CCO5)cc3)cnc21 530615198 ZFMGIVOSOMZKMW-UHFFFAOYSA-N 384.439 3.500 0 40 GHAB Cc1cc(Oc2ccccc2C)nc([C@H]2CCCN2C(=O)c2nccn2C)n1 72384420 RJKBGKKJSOTABM-MRXNPFEDSA-N 377.448 3.597 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC2(CC1)OCCS2 70637324 MXFHHOMYPYTDJN-UHFFFAOYSA-N 378.881 3.999 0 40 GHAB COCCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccc(OC)cc1 1565520421 RGLAPJIXASBEOH-NQIIRXRSSA-N 389.540 3.830 0 40 GHAB biogenic CCCCn1nc(C)c2c(C(=O)N[C@H](C)c3cnn(C)c3C)cc(C3CC3)nc21 36615793 WVZKPLSWCPUASN-CYBMUJFWSA-N 394.523 3.950 0 40 GHAB O=C(NCCCc1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 71834843 WGZGUIYEHZEKOF-UHFFFAOYSA-N 386.495 3.684 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H](NCCc2ccccc2Br)C1 89212639 DXNWTQGPXBXAAR-OAHLLOKOSA-N 383.330 3.981 0 40 GHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccccc1OC 222909493 GRPWYJYJBVCFJN-MRXNPFEDSA-N 386.467 3.668 0 40 GHAB CSc1ncc(-c2nnsc2C(=O)OCc2ccc(Cl)cc2)cn1 223856366 MJBPSGDVONHQBH-UHFFFAOYSA-N 378.866 3.727 0 40 GHAB O=C(NCCCn1ccnc1)c1cc2sccc2n1Cc1ccccc1F 44901622 NYMJQOWYCHYWLJ-UHFFFAOYSA-N 382.464 3.907 0 40 GHAB Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCCCc2ccccc2)n1 225966261 IXUDQWYFKPEBKS-MRXNPFEDSA-N 383.565 3.941 0 40 GHAB CC(C)(C)NC(=S)Nc1nc(N2CCCCC2)cc(N2CCCCC2)n1 225894234 AECIAQRTBQLQDS-UHFFFAOYSA-N 376.574 3.542 0 40 GHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 223289297 FMBLUBSTGDJFPA-LEWJYISDSA-N 397.592 3.922 0 40 GHAB O=C(O)c1csc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 573331309 UYALLICGICLEDY-MRVPVSSYSA-N 377.413 3.696 0 40 GHAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 223591729 ZEWYFOHHRYXAIN-RTBURBONSA-N 399.903 3.960 0 40 GHAB O=C(NC[C@@](O)(c1ccco1)C1CC1)C1c2ccccc2Oc2ccccc21 77099459 SONPUTVAYRZRFC-QHCPKHFHSA-N 375.424 3.931 0 40 GHAB COc1cccc(OCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 224138825 IBIRNNYQEBJUJZ-HNNXBMFYSA-N 377.868 3.928 0 40 GHAB O=S(=O)(c1ccccc1Cl)N1CC[C@@H](Oc2cccc3cccnc23)C1 252551757 UGRAEXNZNPOYHY-OAHLLOKOSA-N 388.876 3.730 0 40 GHAB O=C(CCc1nc(O)c2ccccc2n1)N1CCC(OC2CCCCC2)CC1 622737445 JWEZLKJDYSVPLS-UHFFFAOYSA-N 383.492 3.608 0 40 GHAB COc1ccc(CN(C)C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cn1 676643896 RAILOLSAJSTJAI-LBPRGKRZSA-N 389.406 3.738 0 40 GHAB O=C(C1c2ccccc2Oc2ccccc21)N1CCC(Oc2cnccn2)CC1 90607675 LFLFPPZFNSIXAX-UHFFFAOYSA-N 387.439 3.784 0 40 GHAB O=C(CN1CCn2cccc2[C@@H]1c1ccccc1)N1CCc2sccc2C1 57991776 GMARUQHYELRWFL-QFIPXVFZSA-N 377.513 3.540 0 40 GHAB Cc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3ccccn3)CC2)s1 72340717 QWRHAPVVFLOFSD-QFIPXVFZSA-N 397.519 3.995 0 40 GHAB O=C1[C@H](C(=O)N(Cc2ccsc2)C2CC2)CCN1c1ccc(F)c(F)c1 67329698 MPVJQKOFVZHLLA-OAHLLOKOSA-N 376.428 3.570 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1 655641320 FNHIFMSLOSRFGU-UHFFFAOYSA-N 397.500 3.597 0 40 GHAB O=C(NCCn1cc(-c2ccccc2)nn1)c1cc(F)cc(C(F)(F)F)c1 1607778616 DVZSIHFELCGIFS-UHFFFAOYSA-N 378.329 3.533 0 40 GHAB Cc1nc2ccccn2c1/C=C1\N=C(c2cccc(Br)c2)OC1=O 5266606 XJMWEMVKFSQQPO-UVTDQMKNSA-N 382.217 3.750 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C(F)(F)F)cc1 5578915 RAUSJKXVOGLROS-UHFFFAOYSA-N 383.322 3.762 0 40 GHAB C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc(-c2ccncc2)n[nH]1 12144627 MGOAXOXDAIMWLK-MRXNPFEDSA-N 383.455 3.954 0 40 GHAB CCCN(C(=O)c1cc(C2CC2)on1)c1nc2c(s1)CCc1c-2cnn1C 12146065 IDDGSPPDLUUYEE-UHFFFAOYSA-N 383.477 3.564 0 40 GHAB Cc1cccc2c(C(=O)NCc3nc(-c4ccccc4Cl)no3)cc(O)nc12 12201258 TVLOBIBBUUJRMJ-UHFFFAOYSA-N 394.818 3.882 0 40 GHAB O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc(Cl)cc1 12329803 FDLIAMLIJIYFHF-RBUKOAKNSA-N 391.870 3.863 0 40 GHAB CCOc1ccc2oc(=O)cc(CSc3nc4ccccc4c(=O)[nH]3)c2c1 12412303 IVVZLZKSGWCDFM-UHFFFAOYSA-N 380.425 3.721 0 40 GHAB biogenic,in-vitro Cc1ccc(C)c(O[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 13710847 ITSIMYGRDIXZPL-TYOLEZHBSA-N 378.516 3.928 0 40 GHAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)[nH]1)Nc1nccs1 14152524 AMNKAVNYPVGVTI-UHFFFAOYSA-N 386.289 3.966 0 40 GHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 14399231 SYKDASWZGKJJRD-UHFFFAOYSA-N 386.395 3.744 0 40 GHAB O=c1c2sccc2nc2n1CCN(Cc1c(Cl)cccc1Cl)CC2 19292593 UDZROQUYWAWYEF-UHFFFAOYSA-N 380.300 3.823 0 40 GHAB CC(=O)N1c2ccc(NC(=O)[C@@H]3CC(c4ccc(Cl)cc4)=NO3)cc2C[C@H]1C 19497806 GPQRFUDHYMCPBD-ODXCJYRJSA-N 397.862 3.769 0 40 GHAB Cc1c([C@@H](C)NC(=O)c2ccc(Cl)c(NCc3ccccn3)c2)cnn1C 19714898 XICMJFPEFCXVQO-CYBMUJFWSA-N 383.883 3.880 0 40 GHAB COc1ccc(CC(=O)N2CC[C@H](c3ccccc3)[C@H]3NCCCC[C@H]32)cc1 19554293 BMLIIMDJKQMXOD-CQOQZXRMSA-N 378.516 3.765 0 40 GHAB O=C([C@@H]1CCc2ccccc2O1)N1CCC(COc2ccncc2Cl)CC1 1889166629 LAPAJLCDGIMQTB-FQEVSTJZSA-N 386.879 3.746 0 40 GHAB O=C(COc1ccccc1F)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13695477 VUVKRJVSOJTFCA-UHFFFAOYSA-N 380.375 3.639 0 40 GHAB CCCC(=O)N(CCCN1CCOCC1)c1nc2c(C)c(C)ccc2s1 22997936 ZNNIPWUXRYXCCH-UHFFFAOYSA-N 375.538 3.769 0 40 GHAB COc1ccc(C(=O)/N=c2\sc3c(Cl)ccc(C)c3n2C)cc1OC 100908799 IVNWVZJXYAMISS-ZZEZOPTASA-N 376.865 3.960 0 40 GHAB O=C(NCc1cc(F)cc(F)c1)c1nn(-c2ccccc2)c2ccccc2c1=O 49410112 QTJRAAFIZDEHEP-UHFFFAOYSA-N 391.377 3.594 0 40 GHAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccco1)c1cccs1 585146688 CLVWGRJVQNOXPT-AWEZNQCLSA-N 384.457 3.545 0 40 GHAB CCOc1ccccc1CCC(=O)N1Cc2ccccc2[C@@H](c2cnn(C)c2)C1 585408535 JPBLUTGMQXTXFC-JOCHJYFZSA-N 389.499 3.926 0 40 GHAB Cc1ccc(-c2nnc3s/c(=C/c4ccc(Cl)c(Cl)c4)c(=O)n23)cc1 5119678 RTCDXVKECYBBQF-OQLLNIDSSA-N 388.279 3.981 0 40 GHAB COc1cccc([C@H](CNC(=O)c2cc3cc(OC)ccc3nc2C)N(C)C)c1 40043230 MGYHBGOGCOQYHK-QFIPXVFZSA-N 393.487 3.593 0 40 GHAB O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)CSc2ccc3c(c2)CCC3)C1 40150272 AOXXUCSFNOUSGY-SFHVURJKSA-N 395.528 3.540 0 40 GHAB O=C(N[C@@H](CC(=O)N(C[C@H]1CCOC1)C1CC1)c1ccccc1)c1ccccc1 40107941 WGNCHRLKJAJTAZ-GCJKJVERSA-N 392.499 3.575 0 40 GHAB CCN(CC)CCN(CC(C)C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 40122166 FQDQEKKLWSCKGH-UHFFFAOYSA-N 382.552 3.801 0 40 GHAB O=C1[C@H]2[C@H]3CSCN3[C@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccccc1 100910777 KRCZASBHGOCUQV-XMTFNYHQSA-N 384.888 3.575 0 40 GHAB O=C(COc1ccc(C2SCCS2)cc1)Nc1cccc(-n2cnnc2)c1 32044260 RAOPCFMVDJQLPH-UHFFFAOYSA-N 398.513 3.763 0 40 GHAB CCc1ccc([C@@H](NC(=O)Cn2cnc3ccc(F)cc3c2=O)C(C)C)cc1 32411934 DOMKTLPBQLLDKC-NRFANRHFSA-N 381.451 3.612 0 40 GHAB CS(=O)(=O)Nc1ccccc1CNc1ncnc2sc3c(c12)CCCC3 52189967 CFNNURYMKJRKJC-UHFFFAOYSA-N 388.518 3.554 0 40 GHAB O=C(Nc1ccccc1)C1CCN(C(=O)CN2CCC[C@H]2C2CCCCC2)CC1 52131693 ZGDYZSJJNRTHSM-QFIPXVFZSA-N 397.563 3.908 0 40 GHAB O=C(c1ccc(F)cc1)c1ccc(OCN2C(=O)c3ccccc3C2=O)cc1 32666593 ORULWVBXXWGPTK-UHFFFAOYSA-N 375.355 3.689 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc3c(C)nn(C)c3s2)c1C 11975302 UWNHRMRVJBQSKR-GFCCVEGCSA-N 387.461 3.519 0 40 GHAB Cc1cc(NC(=O)CSc2nnc3c(C)cc4c(C)ccc(C)c4n23)no1 929713 JRAUGMRLZNEWNP-UHFFFAOYSA-N 381.461 3.835 0 40 GHAB C[C@H]1CCCCN1Cc1ccc(CNC(=O)Cn2ccc(C(F)(F)F)n2)cc1 46615580 GDFTUEPROAQSLM-HNNXBMFYSA-N 394.441 3.593 0 40 GHAB CCOC(=O)c1c(C)n(C)c2ccc(O)c(S(=O)(=O)c3ccc(C)cc3)c12 1082464 XKJHSPMPGWWFEE-UHFFFAOYSA-N 387.457 3.510 0 40 GHAB CCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)c1 1312041 ISTUEPMVHSUGQW-UHFFFAOYSA-N 375.450 3.961 0 40 GHAB COCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccoc1C 4860381 WWTGSYSMPLDIGZ-UHFFFAOYSA-N 386.477 3.532 0 40 GHAB CCN(CC)c1ccc(NC(=S)NC(=O)c2c(OC)cccc2OC)cc1 6630073 GVCNPOIFEZXMKB-UHFFFAOYSA-N 387.505 3.677 0 40 GHAB O=C(Oc1ccc2c(c1)OCO2)c1cn(-c2ccccc2)nc1-c1cccnc1 6646416 FHMLTVJSLXQPSZ-UHFFFAOYSA-N 385.379 3.882 0 40 GHAB O=C(Oc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1)c1ccccc1F 8436441 RELXDJIUJFBROV-UHFFFAOYSA-N 396.399 3.606 0 40 GHAB Cc1ccc(-c2cnn([C@@H](C)C(=O)Nc3ccc(F)c(Cl)c3)c(=O)n2)cc1 33324582 MSZLTCAAILGPRQ-LBPRGKRZSA-N 386.814 3.606 0 40 GHAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 102593114 OLVATNZGYMJPKK-HJEMKOJISA-N 398.462 3.805 0 40 GHAB CC(=O)N1CCN(c2ccc(NCc3ccc(Br)cc3)cc2)CC1 679209 YXJLGYSFQCUWCQ-UHFFFAOYSA-N 388.309 3.730 0 40 GHAB CCOc1cc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)ccc1O 785825 LCXXMQKQRPCWNC-UHFFFAOYSA-N 382.504 3.662 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1 9196557 XFKXEBIUYODFRU-UHFFFAOYSA-N 379.416 3.875 0 40 GHAB Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1 810014 NPAOIHOLGHORQL-UHFFFAOYSA-N 389.455 3.803 0 40 GHAB C[C@@]1(CN2C(=O)c3ccccc3C2=O)Nc2ccccc2C(=O)N1c1ccccc1 9477669 AZPOIGLUGPSVBR-XMMPIXPASA-N 397.434 3.771 0 40 GHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N(C)Cc1ccc(Cl)cc1Cl 23039262 VOEXAHWJFADOKW-INIZCTEOSA-N 383.275 3.999 0 40 GHAB CCN(CC)[C@H](CNC(=O)[C@@H]1Cc2ccccc2S1)c1cccc(OC)c1 23074404 OMKHLHCXFROAKY-CTNGQTDRSA-N 384.545 3.911 0 40 GHAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(N2CCNC2=O)cc1 54324070 PUFGLFPUIIRRHI-RUDMXATFSA-N 375.350 3.887 0 40 GHAB COCc1nn2c(O)cc(Cc3ccc(OC)cc3)nc2c1-c1ccccc1 100776115 RNBFMCXOOHKNLB-UHFFFAOYSA-N 375.428 3.848 0 40 GHAB CC(C)N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 34132801 AAXYDPZWMRAAPL-UHFFFAOYSA-N 379.913 3.540 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1 57810456 VQFFCVKVYHAQST-UHFFFAOYSA-N 381.457 3.953 0 40 GHAB Cc1ccc(-c2nc(NC(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)sc2C)cc1C 102207890 SFTDCKXIQFVVIG-VGWMRTNUSA-N 386.473 3.552 0 40 GHAB Cn1ccnc1C(=O)c1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1 12525554 ITSCLELISXBKMX-UHFFFAOYSA-N 381.407 3.588 0 40 GHAB COc1ccc2cc(CNC[C@@H](c3ccc(C)o3)N3CCOCC3)ccc2c1 53602199 NCDJMGKPBWIPSR-QFIPXVFZSA-N 380.488 3.913 0 40 GHAB COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 1448349 VNBAQMZZZBWBIB-ZDUSSCGKSA-N 393.270 3.671 0 40 GHAB C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1N)c1nc(-c2cccnc2)no1 48287553 SGFPHBXHXFEKMK-QMMMGPOBSA-N 379.203 3.939 0 40 GHAB O=C(COC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1)Nc1ccc(O)cc1 57896492 VRJKAYKWJPHMPO-UNXLUWIOSA-N 385.803 3.560 0 40 GHAB COc1ccc(CN(Cc2ccc(F)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 27650745 VFHNLNMRZAHBLJ-QGZVFWFLSA-N 397.899 3.677 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)c(Cl)c1 20050997 ZYYVUZGKUYZKSU-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB CCn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccsc2c1=O 27818413 DSIWFAVXPQJUEY-UHFFFAOYSA-N 393.921 3.540 0 40 GHAB CCc1cc2c(=O)n(CCCOC)c(SCc3cc(C)no3)nc2s1 12785814 BVGKVKHXHXELSQ-UHFFFAOYSA-N 379.507 3.646 0 40 GHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 10985418 FDZHDGWXNQVRQH-STQMWFEESA-N 399.468 3.946 0 40 GHAB Cc1ccc(-c2nc(CSc3nnc(NC[C@@H]4CCCO4)s3)no2)cc1 12812039 VYAQAHNHTPCFBC-ZDUSSCGKSA-N 389.506 3.780 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)N[C@@H](CC(C)C)c3ccccc3)cnc12 12822380 VMXLJJKEBPIERE-FQEVSTJZSA-N 377.488 3.999 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c1 3434089 ICEAOFIURZPSJZ-UHFFFAOYSA-N 380.429 3.957 0 40 GHAB COc1ccc(CCN(C)C(=O)/C=C/c2c(Cl)nc3ccccn23)cc1OC 3414571 IGRWVMALLCAXOK-CSKARUKUSA-N 399.878 3.719 0 40 GHAB C[C@@H](OC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)C(N)=O 3468721 ARHVTHAGQPOVDN-LLVKDONJSA-N 399.244 3.695 0 40 GHAB Cc1cccc(C)c1OCCN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 12908664 ODOWIFWBJFLVIT-HSZRJFAPSA-N 378.472 3.856 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cc(Cl)ccc1F 8631650 PKVHEKRMAQIBHT-UHFFFAOYSA-N 383.128 3.952 0 40 GHAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2CCC2)ccc1Cl 8706595 YFWCOSOEZFMYPN-UHFFFAOYSA-N 394.880 3.888 0 40 GHAB C[C@H](NC(=O)CSc1nnc(SCC(=O)c2ccccc2)s1)C1CC1 8719593 TYIDSJFEKOKIHS-NSHDSACASA-N 393.559 3.520 0 40 GHAB Cc1cc(Cl)ccc1Nc1nc(N2C[C@@H](C)O[C@H](C)C2)nc2c1cnn2C 4374893 LVUFGFYDJHVQFV-CHWSQXEVSA-N 386.887 3.682 0 40 GHAB COc1cc(C(C)=O)ccc1Oc1ncnc2c1cnn2-c1ccc(F)cc1 4355270 MGLSBJMDYZQUAT-UHFFFAOYSA-N 378.363 3.958 0 40 GHAB Cc1ccccc1COC1CCN(C(=O)c2ccc(C(F)(F)F)nc2O)CC1 92510606 PGYVBIAIXDSPHI-UHFFFAOYSA-N 394.393 3.936 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)O[C@@H]1CCCCC1=O 5233319 XNIKTQVCFXMUDT-CVEARBPZSA-N 386.275 3.803 0 40 GHAB O=C(OCc1cc2ccccc2o1)c1cccc(S(=O)(=O)N2CCCC2)c1 14185957 LOJGNSFSNFXKOJ-UHFFFAOYSA-N 385.441 3.574 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1c[nH]c2ccccc12 14157994 WDOYQXOBFQVMHX-UHFFFAOYSA-N 386.249 3.607 0 40 GHAB CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)c1cnccn1)c1ccccc1 4571471 CNXQJTMOZOGQTO-QFIPXVFZSA-N 380.492 3.741 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)N[C@@H](C)CCc2ccccc2)c(C)c1 5415103 NIRPRBDXAWCEPZ-KRWDZBQOSA-N 395.532 3.509 0 40 GHAB Cc1cc(OCC(=O)N[C@H](C)CCc2ccccc2)c2c(C)cc(=O)oc2c1 6660056 RRWPOJZQIDXNLL-QGZVFWFLSA-N 379.456 3.926 0 40 GHAB Fc1ccccc1-c1ccc(CNCCSc2nnnn2-c2ccccc2)o1 6669510 GACXDNUWSFAXQJ-UHFFFAOYSA-N 395.463 3.943 0 40 GHAB CC(C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 5673309 AKYTYKRDMRHFKE-UHFFFAOYSA-N 392.546 3.911 0 40 GHAB COc1ccc(-c2nn3c(COc4ccc(F)cc4)nnc3s2)c(OC)c1 6755634 WMLNHIXKUXPMLI-UHFFFAOYSA-N 386.408 3.588 0 40 GHAB CCCCc1ccc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 4836434 YVGYEOYGHQLHSA-XYOKQWHBSA-N 381.428 3.953 0 40 GHAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3cn4c(C)cccc4n3)o2)cc1 7241077 GGTCLEBIWJCCTQ-ZDUSSCGKSA-N 378.388 3.619 0 40 GHAB C[C@H]1CCc2ccccc2N1Cc1cc(=O)n2cc(Br)ccc2n1 7494491 UOGCKLFGMAFDHU-ZDUSSCGKSA-N 384.277 3.798 0 40 GHAB Cc1cccc(N2N=C(C(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)CCC2=O)c1 7737096 HKBSWLLSQBRNCT-ZDUSSCGKSA-N 381.398 3.667 0 40 GHAB CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)ccc1Cl 16110504 AXOPENQHSVDVRH-CQSZACIVSA-N 399.896 3.850 0 40 GHAB COc1ccc(F)cc1[C@H](C)NC(=O)c1cc(-c2ccc(O)cc2)c(C)[nH]c1=O 96004304 XRMFACCQNYWNBK-ZDUSSCGKSA-N 396.418 3.695 0 40 GHAB Cc1cc(NC(=O)[C@H](OC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c2ccccc2)no1 16812229 QHQSFKZMWCXBLK-YUBNGQEKSA-N 396.443 3.601 0 40 GHAB O=C(c1cnc2c(cnn2C2CCCC2)c1)N1CCN(c2ccc(F)cc2)CC1 70010644 UYVGYLWJCXPAGE-UHFFFAOYSA-N 393.466 3.648 0 40 GHAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(NC(=O)c2ccco2)cc1 8324629 BOXVOVAMWRRWSF-UHFFFAOYSA-N 378.384 3.946 0 40 GHAB Cc1[nH]c(C(=O)NCCSCc2ccccc2F)c(C)c1C(=O)OC(C)C 8368979 IHMIRFGIUXEGAS-UHFFFAOYSA-N 392.496 3.999 0 40 GHAB O=C(NC1CCCCCC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O 72280445 XYIDATXMLVYMPM-FQEVSTJZSA-N 380.488 3.989 0 40 GHAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)COc1ccc(C(C)(C)C)cc1 84686482 USJIFVNSFOOLMC-KXBFYZLASA-N 380.488 3.757 0 40 GHAB COC(=O)[C@@H]1c2ccccc2CCN1Cc1cccc(C(=O)N2CCCCC2)c1 95405178 IULDUHDNNIGZSK-QFIPXVFZSA-N 392.499 3.585 0 40 GHAB CCSCc1ccnc(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)c1 95976913 CMIOQBUUFOMNJG-UHFFFAOYSA-N 390.896 3.770 0 40 GHAB CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)/C=C/c2cccc(C)c2)c1 89942309 YIPNTAACSWTNCA-FLVLSHQESA-N 386.517 3.865 0 40 GHAB Cc1noc(C)c1CN1CCO[C@H](c2nc3ccc(-c4ccccc4)cn3n2)C1 306142195 WSLADMXQVROTIN-FQEVSTJZSA-N 389.459 3.575 0 40 GHAB COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc(F)cc4)C2)OC3)c1 306125877 DENGQRAYJLWPOL-HSZRJFAPSA-N 393.462 3.873 0 40 GHAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccnc3)[C@](O)(C(F)(F)F)[C@H]2C1 409359961 OKYPQKTUWXSONL-QWQRMKEZSA-N 383.414 3.997 0 40 GHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 20457859 NSLLTGIXDUTDDE-SFHVURJKSA-N 393.487 3.816 0 40 GHAB CCc1ccc(C2=NN(C(=O)c3cccc(C)c3O)[C@](O)(C(F)(F)F)C2)cc1 409100977 WGEIJSFJMPGWPX-LJQANCHMSA-N 392.377 3.764 0 40 GHAB O=C(O)Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 409140165 FIYMDLQVYMPCFF-ZDLGFXPLSA-N 392.436 3.962 0 40 GHAB Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)N3CCOCC3)c2c1 35311604 MYACIZZMUIBQFW-UHFFFAOYSA-N 397.475 3.695 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2C[C@H]2C)C1 72388964 RJCHLFOPPYKXKL-LDJQZATESA-N 382.529 3.578 0 40 GHAB COCCn1ccc2c(C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)cccc21 524733910 COQLSKMSVIQNHP-LJQANCHMSA-N 394.471 3.722 0 40 GHAB O=C(NCCCN1CCc2ccccc21)C1CCN(Cc2ccc(F)cc2)CC1 39753884 LUJXXXYWKCBGNG-UHFFFAOYSA-N 395.522 3.607 0 40 GHAB Cc1ccc(-n2[nH]c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)cc2=O)cc1 530569162 TXRFANKYHBBSDV-QGZVFWFLSA-N 375.350 3.507 0 40 GHAB CCc1ccc2c(CC(=O)NCC(=O)Nc3cc(C)ccc3OC)coc2c1 32754002 WPQNQAMTNNGGNR-UHFFFAOYSA-N 380.444 3.610 0 40 GHAB O=C(O)c1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(F)cc3F)c[nH]2)cc1 72322017 IBWLXIWREZDUCN-IBGZPJMESA-N 399.397 3.627 0 40 GHAB biogenic,in-vitro C[C@H]1CCCN(Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C1 38836091 GSWVZUOEOVWGCB-FQEVSTJZSA-N 377.532 3.881 0 40 GHAB O=C(c1cscn1)N1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 72362633 NESOORTYTCBBHZ-CYBMUJFWSA-N 384.436 3.884 0 40 GHAB Cc1cc(C)n2ncc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)c2n1 72397229 CWLILJNXHGQMFL-UHFFFAOYSA-N 392.438 3.775 0 40 GHAB CCSc1ccccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 44886128 VTCQCIZMSRZPCR-UHFFFAOYSA-N 398.937 3.857 0 40 GHAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cn4ccnc4)cc3)n2)cc1 223615961 VAWSVLDORDDCQA-UHFFFAOYSA-N 387.443 3.562 0 40 GHAB COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(SC)cc1 224973870 WDCMERZSINXSKO-UHFFFAOYSA-N 393.530 3.900 0 40 GHAB Cc1ccc(C(=O)NCc2cccc(F)c2)cc1NS(=O)(=O)c1ccccc1 224098697 SIEUECVNSDWSAJ-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CCOc1ccc(S(=O)(=O)NCc2ccc(-c3ccccc3F)o2)cc1 46086465 GMXUOZRYNJNPNF-UHFFFAOYSA-N 375.421 3.963 0 40 GHAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)COc1ccc(C)cc1)CCCC2 225202369 XQXHQWHWQKOKCD-MRXNPFEDSA-N 389.517 3.628 0 40 GHAB CCOc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 44903868 BVSABBYBHDHCMZ-LBPRGKRZSA-N 396.896 3.601 0 40 GHAB CC(C)CCNC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224334572 NVJXKCQPWUAGER-UHFFFAOYSA-N 394.924 3.941 0 40 GHAB Cn1c(-c2cc(Br)cc(I)c2)n[nH]c1=S 228978235 INHYGPDSKDPKET-UHFFFAOYSA-N 396.051 3.512 0 40 GHAB COc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 47156110 IBPGLZNSCHLRKN-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB Cc1cccnc1[C@]1(O)CC[C@@H]2CN(Cc3cc(Cl)c4c(c3)OCO4)C[C@H]21 247935204 RWQSLEIHKWWOHZ-ZOCZFRKYSA-N 386.879 3.502 0 40 GHAB COc1ccc([C@H]2C[C@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1CO 257295933 RAMSMDFSHCYYKY-QDUYCGMJSA-N 389.536 3.985 0 40 GHAB Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)CC3CCOCC3)C2)nc1 257241007 HWGAKCFIASZCBM-IBGZPJMESA-N 383.492 3.876 0 40 GHAB CCOc1ccc(S(=O)(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1 260731420 FCDYMHPYKTUXTF-GFCCVEGCSA-N 396.306 3.988 0 40 GHAB CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)c1cccc(-n2ccnc2O)c1 1642271189 CIXNNADIHMCQIK-GOSISDBHSA-N 388.471 3.821 0 40 GHAB CC[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(-c2nc(C)co2)ccc1C 656960109 FZXSZVPZRQFRNB-CYBMUJFWSA-N 376.400 3.968 0 40 GHAB Cc1ccc(-c2nc(C(=O)Nc3cn(C)nc3-c3ccccn3)cs2)n1C 677571170 XYPFECMQEDGLOZ-UHFFFAOYSA-N 378.461 3.505 0 40 GHAB COc1cccc(NC(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)c1OC 96103783 VFSLZOYYHUHLSC-UHFFFAOYSA-N 398.385 3.618 0 40 GHAB COc1ccc(CNC(=O)NC[C@H](OC)c2ccccc2Cl)cc1OC 133390555 HRNLXXIYCCRVSW-SFHVURJKSA-N 378.856 3.544 0 40 GHAB Cc1cccc(C)c1OC[C@@H](O)CNCc1cc2c(C)ccc(C)c2nc1O 585283910 IQLFESUDJUSRGT-IBGZPJMESA-N 380.488 3.704 0 40 GHAB Cc1cc(N2CCC(COc3cc4c(nn3)CCCC4)CC2)nc(C2CC2)n1 1565522272 FQWOQPXANPQFFB-UHFFFAOYSA-N 379.508 3.627 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)ccc1O 6049531 ZDMQZORUEYUTAQ-MKTLMPOASA-N 390.476 3.961 0 40 GHAB O=C(c1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1 5626333 VNVRSDHKAVTMTN-UHFFFAOYSA-N 375.453 3.827 0 40 GHAB C[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccn1-c1ccc(F)cc1 12147967 GUPJAPMFTYHZPV-INIZCTEOSA-N 382.435 3.728 0 40 GHAB COc1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 12759746 ZCAHZWBGCNLVNH-RGEXLXHISA-N 387.399 3.579 0 40 GHAB CC(C)CC(=O)N1CCN([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 12862492 SQCAKFZUTLZBJP-AWEZNQCLSA-N 376.888 3.641 0 40 GHAB CCn1/c(=N\C(=O)Cc2ccc(C)c(C)c2)sc2cc3c(cc21)OCCO3 13962995 ULFWNTCWLNGGIL-QURGRASLSA-N 382.485 3.781 0 40 GHAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc4ccccc34)ccc21 15599796 RUNGACNLSRBEBU-UHFFFAOYSA-N 380.469 3.804 0 40 GHAB COc1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)c1 15935905 WGUOFGWSQCWWOU-SFHVURJKSA-N 383.448 3.647 0 40 GHAB COc1cccc(C(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c1OC 19567362 KUJUIWQHXLYOSL-FQEVSTJZSA-N 396.418 3.605 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cn1 19688175 MZXJFJQPCWLSGB-IBGZPJMESA-N 390.462 3.930 0 40 GHAB CCc1nnc2n1C[C@H](c1ccc(NS(=O)(=O)c3ccc(C)cc3)cc1)CC2 19699015 IBMZWHSDJZIMMF-QGZVFWFLSA-N 396.516 3.680 0 40 GHAB CNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)CCC2CCCC2)C1 19702455 JTEWJCGFFPKJMO-HNNXBMFYSA-N 385.533 3.942 0 40 GHAB Cc1cc(C)cc(OCc2nnc(SCC(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)o2)c1 19928339 SWZREEUKDUCTED-UXLLHSPISA-N 387.505 3.662 0 40 GHAB Cc1cc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)c(C)c1 19935695 ZSLGUONCOVYFPB-UHFFFAOYSA-N 390.480 3.788 0 40 GHAB COc1cccc(C2=N/C(=C\c3cc(Br)ccc3OC)C(=O)O2)c1 4588423 CKJLQCCPBRQJCY-GDNBJRDFSA-N 388.217 3.811 0 40 GHAB COCC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)O)ccc21 643582954 AQJDUDGUHQWTKY-UHFFFAOYSA-N 390.524 3.786 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccccn3)cc2n1 12230539 IQZQEXVOQPOVFT-OAHLLOKOSA-N 389.381 3.683 0 40 GHAB COc1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc(OC)c1OC 19549753 JDWWLDOTWBTOGS-QGZVFWFLSA-N 381.476 3.968 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 27488004 NNZYEWAJMOGKLC-UHFFFAOYSA-N 387.443 3.936 0 40 GHAB O=C(Nc1cccnc1)c1cc(C(=O)c2c(F)cccc2Br)c[nH]1 1774020779 ATKCERYALDNMPL-UHFFFAOYSA-N 388.196 3.795 0 40 GHAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037912923 DLLGXCKOFSOOKZ-HXUWFJFHSA-N 395.833 3.593 0 40 GHAB Cc1csc(CN2CC[C@H]3NC(=O)COc4ccccc4CCCC[C@H]3C2)n1 2037988956 OXPOWHSQLWDIOY-RBUKOAKNSA-N 399.560 3.564 0 40 GHAB COc1ccc(-c2nnc(NC(=O)CCSc3ccccc3)o2)c(OC)c1 4330090 CEGBSARNYLJUEV-UHFFFAOYSA-N 385.445 3.875 0 40 GHAB CCOC(=O)[C@@](NC(=O)Nc1cccc(C)n1)(c1ccccc1)C(F)(F)F 12412346 DHFZGHPGLHHCHG-KRWDZBQOSA-N 381.354 3.532 0 40 GHAB CCCN1C(=O)CCc2cc(NC(=O)NCc3ccc(OC)c(OC)c3)ccc21 22507493 VYNSMRQBUBOIBC-UHFFFAOYSA-N 397.475 3.715 0 40 GHAB Cc1ccc(-c2ccc(=O)n(Cc3nc(-c4cccc(Cl)c4)no3)n2)cc1 23126863 RCBOLXVTWQHNPX-UHFFFAOYSA-N 378.819 3.970 0 40 GHAB O=C(c1ccc2nsnc2c1)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219212780 LIMFWAKNJLWOIC-SFHVURJKSA-N 399.497 3.740 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC[C@H](Oc2ncccn2)C1 575612263 KMQVZJQKTPSUPA-FQEVSTJZSA-N 388.471 3.819 0 40 GHAB O=C(Nc1cccc(N2CCNC2=O)c1)c1csc(Cc2ccccc2)n1 40142347 BELDGBAPETUYMN-UHFFFAOYSA-N 378.457 3.516 0 40 GHAB O=C(CSCc1cccs1)NCc1ccc(OC[C@@H]2CCCO2)cc1 40107513 SKPNAUSBVWCFMU-KRWDZBQOSA-N 377.531 3.856 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 60387958 SDQBISXMZNBNFS-UHFFFAOYSA-N 398.484 3.560 0 40 GHAB COc1ccccc1-c1noc(COC(=O)c2csc(-c3ccco3)n2)n1 32754642 RHFBVBUEXHPFRW-UHFFFAOYSA-N 383.385 3.819 0 40 GHAB COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(C)cs4)n3c2c1 877286 HWLAICWLLLNRCY-UHFFFAOYSA-N 399.501 3.695 0 40 GHAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3nccs3)n12 903019 WKSIXBAWFUPMOJ-UHFFFAOYSA-N 383.502 3.995 0 40 GHAB COc1ccc(C)cc1[C@H](C)NC(=O)C1CCN(C(=O)c2cccs2)CC1 8130255 QLGBJLCNXATGQX-HNNXBMFYSA-N 386.517 3.795 0 40 GHAB CCc1ccccc1N1C[C@H](C(=O)N(C)Cc2nc3ccccc3s2)CC1=O 32740985 KSPUOJMLSKDZBM-MRXNPFEDSA-N 393.512 3.870 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=O)CC)cc2c1 1366959 VERMWGZVCMORDV-UHFFFAOYSA-N 394.471 3.874 0 40 GHAB Cc1ccc(S(=O)(=O)NCCCCCC(=O)OCc2ccccc2)cc1 1720829 OTJSWGKNEODEBF-UHFFFAOYSA-N 375.490 3.577 0 40 GHAB Cn1cc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cn1 102525840 REZSJWSBAZOHAE-ZDUSSCGKSA-N 386.843 3.535 0 40 GHAB CCN(CC)C(=O)c1ccc(N[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 8191625 NCWTWPKEOWJZIT-HNNXBMFYSA-N 381.476 3.810 0 40 GHAB Cc1cc(C)c(NC(=O)Cn2c(=O)c3ccccc3n3nc(C)cc23)c(Cl)c1 32909173 TTXGKAGRCNQCBM-UHFFFAOYSA-N 394.862 3.867 0 40 GHAB CCn1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc21 32902342 OHOZRXULYQTDRN-IBGZPJMESA-N 383.517 3.526 0 40 GHAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 32910433 RWGMKRXBRIEBQR-VXGBXAGGSA-N 385.441 3.556 0 40 GHAB CCSc1nnc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2Cl)s1 32922311 XKMMXKKFPJNRSO-GFCCVEGCSA-N 384.914 3.510 0 40 GHAB CCc1nnc(NC(=O)CSc2nc3ccc(OC)cc3cc2CC)s1 4849364 JIKRNIWQTGMYPG-UHFFFAOYSA-N 388.518 3.951 0 40 GHAB CCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccncc1 4860979 PXDRPTQRRQTDFH-UHFFFAOYSA-N 397.504 3.798 0 40 GHAB Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)n1 4966090 DNUBFASXHGUIAK-UHFFFAOYSA-N 389.297 3.711 0 40 GHAB O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)Nc1nccs1 4967169 CIAIDAHLGNZNRI-UHFFFAOYSA-N 391.478 3.784 0 40 GHAB CCCC[C@@H](OC(=O)c1cc2occc2n1C(C)C)C(=O)NC[C@@H]1CCCO1 4967177 VSGVKSBOKPENNL-MAUKXSAKSA-N 390.480 3.826 0 40 GHAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2cccnc2Cl)cc1 6033045 HOSXALFFZRKLFF-UHFFFAOYSA-N 390.867 3.983 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)NC34CC5CC(CC(C5)C3)C4)CC2=O)cc1 6530274 MYRQGQAOWHCSBR-WMVQRKQLSA-N 382.504 3.523 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)NCc2cccs2)c1 6681173 KGVPOECWAHYGKI-UHFFFAOYSA-N 392.527 3.565 0 40 GHAB COc1ccc(-c2cc3c(N4CCN(Cc5ccccc5)CC4)nccn3n2)cc1 33266285 FKSJLAFIWMEZNG-UHFFFAOYSA-N 399.498 3.727 0 40 GHAB O=C(COC(=O)CN(Cc1ccccc1)Cc1ccccc1)Nc1ccccc1 8433915 RLHHZIBBNNCKQJ-UHFFFAOYSA-N 388.467 3.871 0 40 GHAB CC(C)Oc1cccc(-c2nnc(Nc3ccc(N4CCOCC4)cc3)[nH]2)c1 8928349 WUPRUSWAQRYIEZ-UHFFFAOYSA-N 379.464 3.839 0 40 GHAB C[C@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1ccc(Cl)cc1 109494469 STZCLCZMZNRYDS-JTQLQIEISA-N 387.288 3.856 0 40 GHAB Cc1cc(C(F)(F)F)c2c(N)nn(C(=O)c3c(C)oc4c3CCCC4)c2n1 57731459 NVFHODWGCJHKOA-UHFFFAOYSA-N 378.354 3.809 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1 22457777 VFIQXSGROQALJL-UHFFFAOYSA-N 385.427 3.690 0 40 GHAB CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2ccc(C)cc2)=N1 57401702 QRUBYLLCCCVDIW-UHFFFAOYSA-N 382.489 3.751 0 40 GHAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 104016189 VLQSNDFGVIUZGP-DFHZNHDVSA-N 390.474 3.758 0 40 GHAB CCOc1cc(C(=O)NCCc2csc(C)n2)ccc1OCc1cccnc1 23110964 VLCFSOJDZFACNL-UHFFFAOYSA-N 397.500 3.797 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc1C 1073114 NFGIHVAXQWRKNF-UHFFFAOYSA-N 378.925 3.776 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(F)ccc4C)ccn3n2)cc1 12414422 GSKGSRMVWXVMSR-UHFFFAOYSA-N 390.418 3.558 0 40 GHAB COc1ccc(Br)cc1CN1CCC[C@H](C(=O)N2CCCCC2)C1 1277861 POCCWDXEMQOTQF-HNNXBMFYSA-N 395.341 3.682 0 40 GHAB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1C(C)C 108141656 JIXLCYWXRGAZHQ-BOPFTXTBSA-N 389.521 3.735 0 40 GHAB CN1CCN(c2ccc(NC(=O)COc3cccc(C(C)(C)C)c3)cc2)CC1 12522287 LQABKVYFKFVTLV-UHFFFAOYSA-N 381.520 3.753 0 40 GHAB COc1ccc(NC(=O)c2ccc(N[C@@H](C)C(=O)N3CCCCC3)cc2)cc1 12553112 RCMOIUOGZFYWSC-INIZCTEOSA-N 381.476 3.760 0 40 GHAB Cc1ccc2c(c1)C(=O)N(CCC(=O)Oc1cccc(Cl)c1Cl)C2=O 25126660 ZUOJTUJMEBYZSE-UHFFFAOYSA-N 378.211 3.894 0 40 GHAB CCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(OCC)cc1Cl 16780712 OTBYKYSVAYYDET-STQMWFEESA-N 375.918 3.804 0 40 GHAB COC(=O)c1ccccc1NC(=O)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 35684651 BAFZLAWGSNBCSI-QGZVFWFLSA-N 390.399 3.508 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)o1 16724059 HQTGKCUNTYTKME-UHFFFAOYSA-N 377.372 3.570 0 40 GHAB O=C(c1ccc(NC2CC2)nc1)N1CCN(Cc2cccc3ccccc23)CC1 48299280 NSSIWXQAKZVFDY-UHFFFAOYSA-N 386.499 3.767 0 40 GHAB Cc1csc(CCNC(=O)[C@H](C(C)C)n2cnc3cc(F)c(F)cc32)n1 58299956 NTCZBXXZCGSKST-KRWDZBQOSA-N 378.448 3.635 0 40 GHAB Cc1cccc(OCCNC(=O)N2CCN(c3nc4ccccc4s3)CC2)c1 36397591 OPIFFCHDCOEZLT-UHFFFAOYSA-N 396.516 3.515 0 40 GHAB O=C(CSc1nc2ccccc2nc1-c1ccccc1)NC[C@H]1CCCO1 2479658 CCPCGRFRTCCPPO-MRXNPFEDSA-N 379.485 3.684 0 40 GHAB COc1ccc2c(c1)[nH]c1c(N3CCN(C/C=C/c4ccccc4)CC3)ncnc12 2418913 ZMJHVFZSVJFWGP-VMPITWQZSA-N 399.498 3.955 0 40 GHAB CCC(C)(C)C1CCC(NS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 48374054 BEZCGRPPJOUACC-UHFFFAOYSA-N 386.583 3.658 0 40 GHAB O=C([C@H]1CCCO1)N1CCN(Cc2c(-c3ccccc3)[nH]c3ccccc23)CC1 12885857 REEWEYLNAQSGSA-JOCHJYFZSA-N 389.499 3.658 0 40 GHAB Cc1ccc(-n2nnnc2SCc2cc(=O)oc3c(C)c(C)ccc23)cc1 3498836 FTERMCSHJGEMTJ-UHFFFAOYSA-N 378.457 3.986 0 40 GHAB CCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)C1=O 3428381 MDKRRBLCYDVPOT-LJQANCHMSA-N 379.888 3.868 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C)c3ccc(Cl)cc3)ccc21 12935641 SPUNBLDQDLIHPV-ZDUSSCGKSA-N 392.908 3.679 0 40 GHAB O=C1C[C@@H](C(=O)Nc2ccccc2)SC(Nc2ccc(F)c(Cl)c2)=N1 16971196 FSZAFQRWCPVYCD-AWEZNQCLSA-N 377.828 3.918 0 40 GHAB c1ccc(CNc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1 12980636 SKPGHYVSIUGVDB-UHFFFAOYSA-N 380.517 3.624 0 40 GHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2CN(Cc3cccnc3)C[C@@H]21 306141141 VMCLTYFXCYAYDP-XLIONFOSSA-N 382.510 3.565 0 40 GHAB CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)c1 8325444 PPRXHKZXXUJZJC-FQEVSTJZSA-N 393.439 3.692 0 40 GHAB Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCc3ccccc3Cl)cc1)CC(=O)N2 17044016 VHFMRHHAMUSNOR-MRXNPFEDSA-N 395.846 3.785 0 40 GHAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)NCCOc1ccccc1 8727717 LSUJQLJPXWTJRZ-KRWDZBQOSA-N 395.528 3.671 0 40 GHAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1nnc2ccccn12 14251061 LYXPRQBTGUKZCJ-HNNXBMFYSA-N 375.259 3.942 0 40 GHAB CCc1cccc2c(C(=O)CSc3nnnn3-c3cccc(C)c3)c[nH]c12 6620012 PRCPIZDPEODGEP-UHFFFAOYSA-N 377.473 3.989 0 40 GHAB COCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1cccc(OC)c1 6743352 UMACSXPCBYHZLP-HXUWFJFHSA-N 393.439 3.610 0 40 GHAB Cc1ccc(C)c(-n2c(SCC(=O)NC(C)C)nc3ccsc3c2=O)c1 67217004 PQUUGJVKZLMJHA-UHFFFAOYSA-N 387.530 3.681 0 40 GHAB CC(C)[C@H](N[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 7255767 PILWGXDCBMTIIU-AVRDEDQJSA-N 381.520 3.837 0 40 GHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(C(C)C)cc1)CC(O)=N2 71279840 QTXPSLXQQHJHOV-SJORKVTESA-N 387.505 3.798 0 40 GHAB CCn1c(SCC(=O)Nc2cccc3nsnc23)nnc1-c1ccccc1 19077853 LHEWKPASSDMNMM-UHFFFAOYSA-N 396.501 3.701 0 40 GHAB Cc1ccc(NC2=NC(=O)[C@H](CC(=O)NCc3ccc(Cl)cc3)S2)cc1 7784889 YCSXKHBFMCOMLN-INIZCTEOSA-N 387.892 3.765 0 40 GHAB CNC(=O)c1ccc(CN(C)C(=O)CCSc2ccc(Cl)cc2)cc1 7846262 GUXGLDDXOUACKS-UHFFFAOYSA-N 376.909 3.840 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)o2)c1C 7985408 KAOKDOFUDCPNIS-GFCCVEGCSA-N 385.445 3.832 0 40 GHAB Cc1sc(NC(=O)c2nc3nccc(C)n3n2)nc1-c1ccc(Cl)cc1 7967389 CCBCHNLMGUFQOR-UHFFFAOYSA-N 384.852 3.770 0 40 GHAB Cc1ccccc1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 408628327 WVKAKTFITSDYNL-UHFFFAOYSA-N 378.453 3.809 0 40 GHAB CCc1ccc(N2C[C@H](c3nnc(NC(=O)c4cccs4)s3)CC2=O)cc1 9197981 NJIQSVLJXSUPDX-CYBMUJFWSA-N 398.513 3.935 0 40 GHAB NC(=O)c1ccc(CN2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)cc1 71889679 TVRAXRHLRLXLOR-IBGZPJMESA-N 388.471 3.605 0 40 GHAB COc1ccc([C@@H](CNc2nc(C(F)(F)F)cs2)N2CCOCC2)cc1 83938019 XMYCOZJFJFARBF-CQSZACIVSA-N 387.427 3.656 0 40 GHAB O=C(CSc1ncnc2sccc12)Nc1ccccc1N1CCCC1=O 9748674 ZIGZRTMEXQVQIQ-UHFFFAOYSA-N 384.486 3.549 0 40 GHAB COCCN(C)c1ccc(NC(=O)c2csc(-c3ccccc3OC)n2)nc1 95966959 BPHVSPFGEGOQSR-UHFFFAOYSA-N 398.488 3.549 0 40 GHAB COc1ccc(-n2ncc3c2N=C(O)CS[C@@H]3c2c(C)nn(C)c2C)cc1 79482799 BRBZSKNNHLWOQC-SFHVURJKSA-N 383.477 3.655 0 40 GHAB CN1CCN(Cc2cccs2)C[C@H]1c1nnn2cc(-c3ccccc3)ccc12 306130811 JQBCPRSSFGETGL-NRFANRHFSA-N 389.528 3.947 0 40 GHAB O=C(O)[C@H]1CCCN([C@H](C(=O)O)c2c(-c3ccccc3)[nH]c3ccccc23)C1 35083505 MXFKKMXYRDBUCK-YWZLYKJASA-N 378.428 3.757 0 40 GHAB CCc1ccccc1Nc1noc2c1CN(C(=O)CCc1ccncc1)CC2 72397208 ATFQEBQGXZFBGM-UHFFFAOYSA-N 376.460 3.893 0 40 GHAB CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)c1 72358955 KJRPSSFNZQDLBV-LJQANCHMSA-N 392.503 3.998 0 40 GHAB O=C(NCCO)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc(F)cc2)C1 72352382 RWVOSAXBNXEMHH-MRXNPFEDSA-N 398.503 3.752 0 40 GHAB Cc1ccc2c(Nc3ccc(C)c(C)c3)c(C(=O)N3CCOCC3)cnc2n1 49004814 OUADUYCOOWKLOY-UHFFFAOYSA-N 376.460 3.771 0 40 GHAB CN(c1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1)S(C)(=O)=O 224985724 ILAZQFCADQORIO-UHFFFAOYSA-N 396.896 3.532 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2ccccc2C)cc1C(C)C 225131788 UGJRWCDIMARGTP-UHFFFAOYSA-N 377.506 3.793 0 40 GHAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccccc1 223461297 LPIQYPQGBWDBNU-FQEVSTJZSA-N 384.545 3.516 0 40 GHAB O=C(Nc1ccccc1Br)c1cccc(CN2CCOCC2)c1 44883688 QJGLTHYYEDLFPJ-UHFFFAOYSA-N 375.266 3.534 0 40 GHAB Cc1ccccc1C(=O)NC(=S)Nc1cc(C(=O)O)ccc1Br 85342790 BEHDIDDADXMKDJ-UHFFFAOYSA-N 393.262 3.583 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1 222943905 UZGWPJMUSTZVHI-JOCHJYFZSA-N 396.531 3.748 0 40 GHAB CC(=O)N(Cc1c[nH]c2ccccc12)[C@H](Cc1c[nH]c2ccccc12)C(=O)O 199424574 VVLGREVKXJSUPF-OAQYLSRUSA-N 375.428 3.694 0 40 GHAB CC[C@@H](C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224265060 ICHKWAOZWLTTJF-CYBMUJFWSA-N 380.897 3.693 0 40 GHAB CC[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(OC)c(OC)c1 222646129 BGTYJAXNBRIBBQ-QGZVFWFLSA-N 385.460 3.675 0 40 GHAB COc1ccc(-c2cc(N3CCC(NC(=O)c4cccs4)CC3)[nH]n2)cc1 98212740 HBMZCEJEOJKBDG-UHFFFAOYSA-N 382.489 3.546 0 40 GHAB CSCC[C@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1nc2ccccc2[nH]1 96232675 MUEUZMJZFCTQPJ-INIZCTEOSA-N 392.488 3.572 0 40 GHAB O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCCN2CCCc2ccccc2)C1 96071290 HJPNLSWHUPFDGQ-QHCPKHFHSA-N 398.572 3.939 0 40 GHAB Cc1ccccc1Nc1oc2c(c1-c1ccc(F)cc1)c(=O)n(C)c(=O)n2C 95116748 IAJPBTZZRZZVKO-UHFFFAOYSA-N 379.391 3.688 0 40 GHAB COc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1OCC[C@@H]1C(C)C 585083238 FCNDDSQYLGCUFI-FOIQADDNSA-N 382.460 3.947 0 40 GHAB CCc1ccccc1N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c1ccccc1 260899696 POSOFAOVOSZFJM-QGZVFWFLSA-N 388.533 3.605 0 40 GHAB Cn1ncc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1C(F)F 589290186 BDAAQISPWHSCNE-OAHLLOKOSA-N 382.842 3.578 0 40 GHAB CC1(CNC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)CCOCC1 649819923 MMYKWLKTZYGTGM-UHFFFAOYSA-N 394.397 3.786 0 40 GHAB O=C(/C=C/c1cccc(-c2ccc(Cl)cc2)c1)NCCN1CCCOCC1 1138406294 WFLHWECXYKNTTQ-BJMVGYQFSA-N 384.907 3.859 0 40 GHAB CCN1CCC(N(c2ccccc2)S(=O)(=O)c2cccc(OC)c2F)CC1 656183790 JSGAEFBWBMXTNW-UHFFFAOYSA-N 392.496 3.514 0 40 GHAB CCN(C(=O)Cc1ccc(NC(=O)N[C@H]2COC(C)(C)C2)cc1)c1ccccc1 665412996 GEVWBMNNSAMCGZ-LJQANCHMSA-N 395.503 3.971 0 40 GHAB CCCCC(C)(C)[C@@H](O)/C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 299888608 QAOBBBBDJSWHMU-SODSYMBMSA-N 380.525 3.887 0 40 GHAB COc1c2ccc(C(=O)NCc3cccc(Oc4ccccn4)c3)cc2nn1C 96104543 NCENVVHMUIEAES-UHFFFAOYSA-N 388.427 3.699 0 40 GHAB CC(C)C[C@@H](NC(=O)c1ccc(F)c2ccncc12)C(=O)Nc1nccs1 585107794 UGAYYNFVPBUYHA-MRXNPFEDSA-N 386.452 3.614 0 40 GHAB O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[C@@H]1CCCNC1=O 60211901 MTTQTQADGJMYAR-IEBWSBKVSA-N 388.920 3.557 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2I)cc1OC 3055303 ZDDZKHMZUVWNLR-UHFFFAOYSA-N 383.185 3.561 0 40 GHAB Cc1ccc(-c2ccc3nnc(SCC(=O)Nc4ccc(F)cc4)n3n2)cc1 5167832 GISBYGGYYLTRSC-UHFFFAOYSA-N 393.447 3.970 0 40 GHAB CCCCNc1nnc(SCC(=O)c2c(C)[nH]c(C(=O)OCC)c2C)s1 11429004 KHTKERSCNBOYEY-UHFFFAOYSA-N 396.538 3.847 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3ncncc3-c3ccncc3)C2)s1 12088555 YXUHNDVWPAGFLO-INIZCTEOSA-N 379.489 3.632 0 40 GHAB CCc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 16960817 XLBMLMMYUWTBRJ-UHFFFAOYSA-N 386.517 3.605 0 40 GHAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccccc1Cl)C2 19017412 HEIADNWWCJCKDK-HXUWFJFHSA-N 384.911 3.762 0 40 GHAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc2c(c1)nnn2C1CCCCC1 19659428 KBDVBVKBXPAPOG-CQSZACIVSA-N 394.523 3.648 0 40 GHAB Cc1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)s1 23140644 CGNZAQDSMDDORA-CQSZACIVSA-N 379.551 3.712 0 40 GHAB CSc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1 247984449 YJVFSZXYNJBFPS-MORSLUCNSA-N 379.489 3.658 0 40 GHAB Cc1nc(OC(C)C)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 12224190 AZYCCYJZMVTUEK-UHFFFAOYSA-N 389.887 3.580 0 40 GHAB COc1ccc(OC)c(Nc2nc(CC(=O)NCc3cccs3)cs2)c1 23136635 VPBWIQOVGMIIFA-UHFFFAOYSA-N 389.502 3.824 0 40 GHAB O=C(CCn1c(=S)[nH]c2c(oc3ccccc32)c1=O)NCc1ccc(F)cc1 101270114 NZKBCWVNOBDJKD-UHFFFAOYSA-N 397.431 3.651 0 40 GHAB Cn1nc(NC(=O)c2ccc(F)cc2Cl)c2c1NC(=O)C[C@@H]2c1ccco1 38520060 RBMJGIOUYUMCJD-LLVKDONJSA-N 388.786 3.532 0 40 GHAB COc1ccc(CNC(=O)N2CCC(Oc3cccc4cccnc34)CC2)cc1 225706187 SKFWVADNCNUVTJ-UHFFFAOYSA-N 391.471 3.996 0 40 GHAB COc1cccc(NC(=S)N2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)c1 4033725 WVTPHILXAMCCKS-LJQANCHMSA-N 382.464 3.902 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 4275385 FCJOWBBNCPTAMA-UHFFFAOYSA-N 396.424 3.620 0 40 GHAB O=C(NCC1(c2ccsc2)CCOCC1)c1ccccc1Br 952989747 KTCFJNOFXZYBFN-UHFFFAOYSA-N 380.307 3.989 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1F 40005764 QXLCASWVKARHAN-CYBMUJFWSA-N 384.432 3.823 0 40 GHAB CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1ncc(-c2ccccc2)o1 50040752 IVFWPTKGNLZEPJ-UHFFFAOYSA-N 394.456 3.594 0 40 GHAB Cc1cc(N(C)C)ccc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 40111685 LEJFNSQYSSJQHK-UHFFFAOYSA-N 384.461 3.544 0 40 GHAB Cc1ccc(Oc2ccc(NC(=O)CCNC(=O)c3ccco3)cn2)cc1C 40122693 WKTXUOILUOAGKI-UHFFFAOYSA-N 379.416 3.842 0 40 GHAB O=C(CNC(=O)c1cc(-c2ccc(Cl)s2)on1)Nc1cccc(F)c1 50640626 RMICEUXGDZHVQO-UHFFFAOYSA-N 379.800 3.564 0 40 GHAB CCOc1cc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)ccc1O 32092904 XIVINSXBXGHNHT-GFCCVEGCSA-N 399.838 3.852 0 40 GHAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCN(Cc2cccc(Cl)c2)CC1 20676407 SGWIFXILOMTSIZ-HXUWFJFHSA-N 383.879 3.765 0 40 GHAB CCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2OC)cc1 783923 IKKFSFOKIYWWPX-IBGZPJMESA-N 392.377 3.867 0 40 GHAB COc1cccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(F)(F)F)c1 910743 KFKKMUHZUSKGMK-KRWDZBQOSA-N 398.768 3.850 0 40 GHAB CCOC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 1225102 UNYSMRRGTSKFFW-AWEZNQCLSA-N 383.473 3.987 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(OC)c1 1379787 ZWZDKUDBNFWPQT-SFHVURJKSA-N 383.448 3.729 0 40 GHAB CC(=O)NCc1ccc(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 32736659 GRZJCIAOUGZSFF-XOSYACGYSA-N 383.488 3.654 0 40 GHAB COc1ccccc1[C@H](CNC(=O)c1coc(Br)c1)N1CCCC1 32779872 MGAQPSYQYZUAFB-HNNXBMFYSA-N 393.281 3.618 0 40 GHAB CCN(CC)C[C@@H](C)NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2778844 ITJLMXSFRIROFC-MNOVXSKESA-N 394.869 3.840 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ccc(F)cc2)CC1 3100471 KFTPSYQUGWISQV-UHFFFAOYSA-N 383.250 3.860 0 40 GHAB COc1ccc(-c2cc(NC(=O)CCNC(=O)c3ccco3)ccc2OC)cc1 12034696 RRUSGLQWBYAXCP-UHFFFAOYSA-N 394.427 3.722 0 40 GHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc3c(C)nn(CC(C)C)c3s2)on1 32876097 WFKWVSJGOAWDTQ-LBPRGKRZSA-N 390.465 3.543 0 40 GHAB CCC(=O)N(Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 4231123 WLWOZAPBDXUZIP-UHFFFAOYSA-N 386.473 3.546 0 40 GHAB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc(C(C)=O)c3)n2)cc1 6141463 BDAUDLCWYSQZEJ-CYBMUJFWSA-N 396.472 3.802 0 40 GHAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1 6169094 VZFZDDFXNCPFEL-UHFFFAOYSA-N 382.489 3.916 0 40 GHAB CC(=O)COC(=O)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 6304096 CAKPVKPUUKCYMA-UHFFFAOYSA-N 392.194 3.540 0 40 GHAB CCOC(=O)c1cc(NC(=O)COC(=O)c2ccc(C)cc2)ccc1Cl 6956104 AJUAWYYLWYFKCP-UHFFFAOYSA-N 375.808 3.621 0 40 GHAB Cc1ccc(C)c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)c1 8417070 MMBMFDRWRKXOME-UHFFFAOYSA-N 386.423 3.733 0 40 GHAB CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1OC 8417423 GGIPUUDTCDOUQP-UHFFFAOYSA-N 398.459 3.548 0 40 GHAB CCN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C1=CCCC1 23273538 AJCVXWCGSISOGT-UHFFFAOYSA-N 399.564 3.965 0 40 GHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCC[C@@H]2CCC[C@@H]21 72296894 RCAODMVKNVGYPV-ZFWWWQNUSA-N 399.541 3.978 0 40 GHAB C[C@@H](NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1)[C@@H]1C[C@H]2CC[C@H]1C2 108833667 CQXMBIFZBHZLIH-RFGFWPKPSA-N 397.924 3.849 0 40 GHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2O)CC1 26528543 SISWYYSCJGHMMS-CQSZACIVSA-N 376.909 3.875 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCCn1cnc2ccccc21 12517119 PAGNYUYPDODHIU-UHFFFAOYSA-N 391.450 3.798 0 40 GHAB CC[C@@H](C(=O)N[C@H](CC)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 20108562 LXQAPKXSSIZWRA-MOPGFXCFSA-N 392.496 3.638 0 40 GHAB Cc1nn(Cc2ccc(C(=O)Nc3ccncc3)cc2)c(C)c1Br 27970289 OUVMWCMFCWRVSE-UHFFFAOYSA-N 385.265 3.958 0 40 GHAB Cc1cc(C)c(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)c(C)c1 12619418 QBEMCFLCSVRYPH-UHFFFAOYSA-N 380.535 3.713 0 40 GHAB COc1ccc(CCNC(=O)[C@H](C)N2CCC[C@@H]2c2ccsc2)cc1OC 48276846 VWRYVJUQGLGPGK-MAUKXSAKSA-N 388.533 3.650 0 40 GHAB Cc1cnc2c(S(=O)(=O)Nc3ccc(Oc4ncccn4)cc3)cccc2c1 48230379 CTNVZPMOYZQEJC-UHFFFAOYSA-N 392.440 3.926 0 40 GHAB CC(C)NC(=O)c1cccc2c1CCCN2C(=O)COc1ccc2c(c1)CCC2 11076631 KSWCPFPCWJKNMK-UHFFFAOYSA-N 392.499 3.672 0 40 GHAB Nc1nc(COC(=O)Cc2csc(-c3ccccc3)n2)nc2ccccc12 11396562 BRWMDWXNINBWCV-UHFFFAOYSA-N 376.441 3.621 0 40 GHAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(C3CCCC3)CC2)o1 28966792 RXQUWUHEEICVCX-UHFFFAOYSA-N 393.491 3.760 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C)c1 12789535 GSKKRJJBXKWQFI-RBUKOAKNSA-N 379.504 3.981 0 40 GHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Br)ccc1F 12820861 SDFPDKMYWDGHNR-UHFFFAOYSA-N 391.284 3.983 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)CNC(=O)N[C@@H]1CCCC[C@@H]1C 12930192 BISRAKINAKYAGJ-GOEBONIOSA-N 375.513 3.809 0 40 GHAB O=C(O)CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 38528779 WNGQUSSMDLUWLH-LJQANCHMSA-N 397.427 3.623 0 40 GHAB O=c1[nH]nc(SCc2nc(-c3ccc(Cl)cc3)no2)n1Cc1ccccc1 13109555 HRMUPFNDDLEHDD-UHFFFAOYSA-N 399.863 3.615 0 40 GHAB CCOC(=O)c1cn2c(n1)C=C[C@@H]1C(C(F)(F)F)=CC(C(F)(F)F)=N[C@@H]12 3883249 SQSDNQBEMPGWDM-JMCQJSRRSA-N 379.260 3.707 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1Cc1ccccc1 18100227 GVOFDYOAYAGUTE-UHFFFAOYSA-N 383.451 3.786 0 40 GHAB CC(C)c1ccc(CNC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 13235404 XWICQSYSXLIOJW-HXUWFJFHSA-N 379.460 3.786 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 8519633 PINIVEZPKNMQQZ-UHFFFAOYSA-N 397.500 3.512 0 40 GHAB COc1ccc(-c2cc3c(=O)n(Cc4ccc(Cl)cc4)ccn3n2)cc1OC 64977539 MGCZPUXJQPEHHL-UHFFFAOYSA-N 395.846 3.882 0 40 GHAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc2c(c1)OCCO2 5173126 BGXBZNPPFKZYLV-UHFFFAOYSA-N 392.249 3.501 0 40 GHAB O=C(CSc1nc2ccccc2[nH]1)N1CCN(c2ccc(Cl)cc2)CC1 5286508 PPQLZLANYQNDBR-UHFFFAOYSA-N 386.908 3.657 0 40 GHAB CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccn1)N(c1cc(C)on1)C3=O 5269785 AJJDICDQUNGESK-LJQANCHMSA-N 387.395 3.797 0 40 GHAB O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 14190446 CSCNSJYVIYFOKB-UHFFFAOYSA-N 393.325 3.704 0 40 GHAB COC(=O)c1c(NC(=O)CNc2cc(OC)c(OC)cc2C)sc(C)c1C 6623604 NGVKAULERAVKEI-UHFFFAOYSA-N 392.477 3.528 0 40 GHAB O=C(COc1ccc2ccc(=O)oc2c1)NCCc1c[nH]c2ccc(Cl)cc12 6670018 FLEWXTZERALFOL-UHFFFAOYSA-N 396.830 3.665 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)c2ccccc2SCC(=O)N(C)C)cc1C 6654601 QZUPFBPWDQGVKY-UHFFFAOYSA-N 399.512 3.832 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)OCCOc2c(Cl)cccc2Cl)cc1 5620665 PJYLQFNKFBERIT-UHFFFAOYSA-N 389.256 3.633 0 40 GHAB CCNC(=O)NC(=O)[C@@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 6932000 FEABRLKMOXNXBW-LLVKDONJSA-N 386.502 3.685 0 40 GHAB CCN(CC)C(=O)CN(C)c1nc(-c2cccnc2)nc2sc(C)c(C)c12 15129100 JYJPLJGFCLNHNG-UHFFFAOYSA-N 383.521 3.675 0 40 GHAB C[C@@]1(c2ccccc2)NC(=O)N(CCOc2c(Cl)cccc2Cl)C1=O 7001350 NVJUMAQPTMOUEJ-SFHVURJKSA-N 379.243 3.839 0 40 GHAB Cc1nc2cc(C(=O)OCC(=O)N[C@H](C)C(C)C)ccc2n1-c1ccccc1 7141502 ZTNNFWYALCMNJH-OAHLLOKOSA-N 379.460 3.651 0 40 GHAB O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCc2ccccc21 15563633 QWPSROJFWFICBA-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)cc1OC 9185486 PWTFOXYBAWLRLY-UHFFFAOYSA-N 394.471 3.905 0 40 GHAB O=C(Nc1nc(CN2CCCCC2)cs1)c1cc(Cl)c2c(c1)OCCO2 7779601 VTFFDFIUTFJDPG-UHFFFAOYSA-N 393.896 3.806 0 40 GHAB CCCNC(=O)Nc1cccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c1 68430234 HTVHIBNDURRNLU-HXUWFJFHSA-N 381.476 3.791 0 40 GHAB CNC(=O)c1ccc(CN(C)C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 7848131 DDPWARWRBHESIW-INIZCTEOSA-N 390.483 3.970 0 40 GHAB Fc1cc(F)cc(-c2nc(C3CC3)ncc2-c2nnnn2-c2ccccc2)c1 16523902 NHPABIDGNLTZKM-UHFFFAOYSA-N 376.370 3.942 0 40 GHAB O=C(Nc1cc(Cl)ccc1C(=O)NC1CCC(O)CC1)c1cccs1 9217134 LILJSCXXMKPSLN-UHFFFAOYSA-N 378.881 3.687 0 40 GHAB CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1 8297936 WKEJDTIXRIDJQY-UHFFFAOYSA-N 380.473 3.724 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 8217793 FKIWPXUQBZFEPG-MRXNPFEDSA-N 382.460 3.566 0 40 GHAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc3ccccc3c1)C2=O 8231485 HWXMRLNGZSCEPG-CMJOXMDJSA-N 393.487 3.915 0 40 GHAB O=C(CN1CCc2sccc2C1)N1CCC[C@@H](c2nc3ccccc3o2)C1 70022194 VKPHEJNHPOUHIB-MRXNPFEDSA-N 381.501 3.654 0 40 GHAB O=C(Cn1ccc2ccc(Br)cc21)NCCc1nc2ccccc2[nH]1 96117143 NGRAXKCGZIOHBY-UHFFFAOYSA-N 397.276 3.639 0 40 GHAB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCOCC1 9586051 AZJCUNIIMJPITM-CMDGGOBGSA-N 379.485 3.532 0 40 GHAB C[C@H](NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1nnc2n1CCC2 84667967 PBTHAKDXMHDKRW-STUBTGCMSA-N 384.789 3.787 0 40 GHAB C[C@@H](NCc1ccc(Cn2cncn2)cc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 95996225 WUYUBSFUXRSZCJ-XLIONFOSSA-N 399.539 3.594 0 40 GHAB Cc1csc([C@H](OC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C(F)(F)F)n1 95964220 LXUKFEISJPLYLY-ZJUUUORDSA-N 390.349 3.872 0 40 GHAB Cc1c(C(=O)Nc2ccccc2)[n+]([O-])cn1-c1ccc2nc(CC(C)C)[nH]c2c1 1547201046 RPLGIMQNNBLBPS-UHFFFAOYSA-N 389.459 3.746 0 40 GHAB CCc1n[nH]c(SCc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)n1 20611456 APXNBBCJKXIALZ-UHFFFAOYSA-N 396.472 3.683 0 40 GHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)s3)C2=O)cc1 409170137 TYINTYSMUFXNRV-OQLLNIDSSA-N 388.470 3.740 0 40 GHAB CC(=O)N1c2ccc(-c3csc(NC(=O)c4ccncc4)n3)cc2C[C@@H]1C 35315609 XBCUMXXSUABADZ-LBPRGKRZSA-N 378.457 3.755 0 40 GHAB Cc1ccc(N2CCC(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2)cc1 219867178 FKHNHXWWRPPMAF-UHFFFAOYSA-N 392.547 3.602 0 40 GHAB Nc1nnc(-c2ccc(OCc3ccccc3)c(I)c2)o1 216817087 RKJIBZFDUSZHLT-UHFFFAOYSA-N 393.184 3.502 0 40 GHAB COc1cccc(CNC(=O)c2ccccc2NC(=O)c2cccc(OC)c2)c1 408615851 TUFYGJMRFURNSP-UHFFFAOYSA-N 390.439 3.886 0 40 GHAB COc1cccc(NC(=O)Nc2nnc(-c3ccc(Br)o3)o2)c1 38551279 HFJBZEZSBPCRRY-UHFFFAOYSA-N 379.170 3.745 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2ccnc(Nc3ncccn3)n2)C1 72377542 VAQHOARDOPSBOT-OAHLLOKOSA-N 394.866 3.683 0 40 GHAB CCOc1c(Cl)cc(/C=C/C(=O)NCCN2CCC(C)CC2)cc1OC 36393449 RUMKESNOPIXLRG-AATRIKPKSA-N 380.916 3.609 0 40 GHAB COc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2coc(C)n2)C1 72363257 TYYWSPPUVYFAAZ-OAHLLOKOSA-N 394.431 3.594 0 40 GHAB COc1ccccc1-c1noc(CN2CCC(C(=O)c3ccccc3)CC2)n1 32888381 CQXPMIOILJDTJG-UHFFFAOYSA-N 377.444 3.840 0 40 GHAB Cn1cc(-c2nnc(SCc3ccccc3Cl)n2C[C@@H]2CCCO2)cn1 32604296 IBAAHKYWUHHDLB-HNNXBMFYSA-N 389.912 3.803 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2cc3occc3n2Cc2ccccc2F)CC1 35474980 LJQQWSZRKMRELA-UHFFFAOYSA-N 398.434 3.837 0 40 GHAB CCOC[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 218515795 KFKQMMJQLBWYJP-UFYCRDLUSA-N 393.936 3.570 0 40 GHAB CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 224241545 CNHUBOCSIFXSLM-UHFFFAOYSA-N 380.897 3.613 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 222583973 HJFWAEZGARLVAT-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2cccc(Br)c2)cc1Cl 224950698 GHBZIAMVSNTJOQ-UHFFFAOYSA-N 390.686 3.936 0 40 GHAB CC[C@H](NC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccccc1 44886317 TVDKBQRTYIWLSQ-PMACEKPBSA-N 388.533 3.807 0 40 GHAB COc1ccc(CCC(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1 225319472 SNLASRGDLZQXQW-UHFFFAOYSA-N 385.851 3.990 0 40 GHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC[C@H]1COc2ccccc2O1 225267466 FFRIVFBORPHCFX-VQTJNVASSA-N 377.440 3.953 0 40 GHAB CCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc2ccccc2c1 225041962 CGNPZCXRQJICBY-UHFFFAOYSA-N 383.469 3.907 0 40 GHAB COc1ccccc1NC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 40158431 IGSKQQZQROSNBI-HNNXBMFYSA-N 377.485 3.806 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc2c(c1)OCCCO2 40130173 NIBXPEBAIZJLOK-UHFFFAOYSA-N 395.434 3.971 0 40 GHAB CC[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(OC)c(OC)c1 225719403 SBWBQVUBNXHMBJ-HNNXBMFYSA-N 388.489 3.913 0 40 GHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 225667892 PMDRJTWTQZBGJE-GOSISDBHSA-N 382.504 3.570 0 40 GHAB O=C(NC1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1ccccc1F 98212898 BWURDZIMZKCLAW-UHFFFAOYSA-N 382.414 3.754 0 40 GHAB Cc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC2(C3)CC2(F)F)cc1S(C)(=O)=O 529035817 LRNISKBYQSXEJY-KBPBESRZSA-N 384.448 3.583 0 40 GHAB C[C@H](NC(=O)Cc1coc2ccccc12)c1cc(F)ccc1N1CCC(O)CC1 585081886 UXPCONAWHHYJRV-HNNXBMFYSA-N 396.462 3.953 0 40 GHAB Cc1c(CNC(=O)N2CCO[C@@]3(CCCOC3)C2)sc2ccc(Cl)cc12 585082877 FIYOZFLZRRPKFF-IBGZPJMESA-N 394.924 3.954 0 40 GHAB COc1cccc(C(=O)N2CCC[C@@H]2c2cncc(-c3c(C)noc3C)n2)c1 257302927 SFAGJIDUJZGIDP-LJQANCHMSA-N 378.432 3.734 0 40 GHAB O=C(N[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)O)c1sccc1Cl 1601422782 VMPHBOVEKJCUFU-LLVKDONJSA-N 393.770 3.726 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CC(CN(C)C)C3)c3cnn(C(C)C)c3n2)cc1 615512889 VOURQFVCTXTRTD-UHFFFAOYSA-N 391.519 3.621 0 40 GHAB CC(C)CCOc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1F 599800634 XNMQSHXYUJXNJM-YQHYCNIYSA-N 382.501 3.768 0 40 GHAB Cc1ccc2nc(O)c(CNC[C@@H](O)COc3ccc(Cl)c(C)c3)cc2c1 585292687 NGWLJAFHAWLVAV-QGZVFWFLSA-N 386.879 3.740 0 40 GHAB Cn1cnnc1[C@@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)O)cc1 585177741 ZJDMUNZNPROCCR-FQEVSTJZSA-N 376.460 3.908 0 40 GHAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3cccc4cccnc34)C[C@@H]12 72395846 SDPJWBLLSPGQHQ-BWKNWUBXSA-N 399.494 3.784 0 40 GHAB COc1ccc(OC)c(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)c1 2308289 GTSDIGDBZWPUKL-XNTDXEJSSA-N 388.217 3.811 0 40 GHAB Fc1cccc(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1 12407913 FZYIFAZKXHFXRQ-JKSUJKDBSA-N 383.393 3.617 0 40 GHAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccccc1Br 12513695 NZNNHMBGSHWVOQ-UHFFFAOYSA-N 388.265 3.627 0 40 GHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc(SC)c3)ccc21 13610451 NXIQMNZBHVSSQZ-UHFFFAOYSA-N 390.530 3.763 0 40 GHAB C[C@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)c1cccc(C(F)(F)F)c1 14845890 LZEINFUUXPZBOE-ZDUSSCGKSA-N 391.393 3.626 0 40 GHAB CCN(CC)c1nc(Cl)nc(NCCOC(=O)Nc2ccc(Cl)cc2)n1 16855438 NIUJIGJYRMOCTP-UHFFFAOYSA-N 399.282 3.685 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(C)c(-n2cccn2)c1)CC3 19214755 GODRPZGYRWNCNK-UHFFFAOYSA-N 386.455 3.869 0 40 GHAB Fc1ccc(CN2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc1F 19344953 LTMYJVFLTFCUAN-CQSZACIVSA-N 375.448 3.592 0 40 GHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)CC(C)C)C1 19446339 NCZVQRQWPZRFRX-XMMPIXPASA-N 393.531 3.692 0 40 GHAB CCn1ncc(-c2cc(C(=O)NC3(CN4CCCCC4)CCCCC3)on2)c1C 19524066 ZVTZOARFVDYREG-UHFFFAOYSA-N 399.539 3.785 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)c1cnn2c(C(F)F)cc(C3CC3)nc12 19665708 FMYLBTVUSQIERZ-AWEZNQCLSA-N 384.386 3.798 0 40 GHAB Cc1ccc(C)c([C@H]2CCCN2C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1 19718340 ORHGNRRPCNTFCO-LJQANCHMSA-N 397.519 3.612 0 40 GHAB CCOc1cccc2cc(-c3nnc(S)n3-c3cccc(OC)c3)c(=O)oc12 1888987351 CXODQQZLPUMOAU-UHFFFAOYSA-N 395.440 3.737 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC1CCN(Cc2csc(C3CC3)n2)CC1 1889205626 HYFKMFBQLSDVAR-UHFFFAOYSA-N 394.544 3.951 0 40 GHAB O=C(c1ccncc1F)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1775995684 DTNVIQQWUYPYTG-GFCCVEGCSA-N 383.345 3.566 0 40 GHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3cc(F)ccc3F)C2)cc1C 2037912885 BLQVQSGWZPOHFD-NRFANRHFSA-N 375.415 3.628 0 40 GHAB Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)c2ccccc2)c1C(N)=O 4087346 ZTVYLOYMGFEOFJ-UHFFFAOYSA-N 394.452 3.727 0 40 GHAB COc1ccc(CC(=O)N2CCN=C2SCc2cccc(C)c2)cc1OC 4120231 TUMADADRADDCQJ-UHFFFAOYSA-N 384.501 3.686 0 40 GHAB Cc1cccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)c1 5137684 XHYNLTJYMSRXFA-UHFFFAOYSA-N 376.478 3.779 0 40 GHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc21 12180600 HWUZXSNASMKNRY-UHFFFAOYSA-N 392.908 3.971 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2cccc(C)c2)cc1 15390765 ZGJXGLHUHIPLMQ-IBGZPJMESA-N 386.517 3.875 0 40 GHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2F)n2ncnc2N1 40484542 MLEDDSUKJBGQES-KRWDZBQOSA-N 383.814 3.998 0 40 GHAB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3nc4ccc(F)cc4o3)CC2)cn1 2298088996 AYELUURVJMVVEV-UHFFFAOYSA-N 397.454 3.673 0 40 GHAB O=C(NC[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1 103248639 OLXORYGPSOHOPZ-LJQANCHMSA-N 390.487 3.913 0 40 GHAB Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc(C(=O)NC3CC3)cc2)cs1 40132244 IUJAYMBXKIOBGP-UHFFFAOYSA-N 394.500 3.624 0 40 GHAB CSc1nccn1-c1cccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 40135757 WKHQUXQPOKQQND-GFCCVEGCSA-N 394.456 3.566 0 40 GHAB O=C(NCCc1ccccc1F)c1ccccc1SCC(=O)N1CCCC1 32484530 ZYFAIBZPKRWAQE-UHFFFAOYSA-N 386.492 3.513 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)Cc2csc(-c3ccccc3)n2)n1 11767240 FITLHYDBKOHBBF-UHFFFAOYSA-N 387.486 3.553 0 40 GHAB CN1CCN(c2nnc3n2-c2cc(Cl)ccc2Sc2ccccc2-3)CC1 717621 BDJFBVMOWCOZNU-UHFFFAOYSA-N 383.908 3.804 0 40 GHAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1ccc2c(c1)OCO2 2622985 BJTOBDCLOKCZNG-LBPRGKRZSA-N 398.440 3.528 0 40 GHAB COc1cccc(-c2noc(CSCC(=O)N[C@@H]3CCCC[C@@H]3C)n2)c1 32779078 CYYKOXLZAFPLJR-XJKSGUPXSA-N 375.494 3.673 0 40 GHAB COc1ccc2nc(C(=O)NCc3ccc(CN4CCCC4)cc3)ccc2c1 32865876 VIOWONBNVVAUFT-UHFFFAOYSA-N 375.472 3.769 0 40 GHAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 7977841 LGKKYIDUWRVBBV-UHFFFAOYSA-N 399.299 3.995 0 40 GHAB CC(=O)N[C@H](CC(=O)OCc1cc(=O)oc2cc(C)c(C)cc12)c1ccccc1 4220042 KMRZAFGBONAUBW-HXUWFJFHSA-N 393.439 3.721 0 40 GHAB O=C(CNC(=O)c1cc2c(s1)CCCC2)Nc1ccccc1Br 6330329 JZEVRPJKDHFSKL-UHFFFAOYSA-N 393.306 3.758 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1 6601142 MHLVJFNHTLRDHH-UHFFFAOYSA-N 393.472 3.944 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc4ccccc4c3)ccc21 7323267 JUEPTHGHKPHQSV-UHFFFAOYSA-N 380.469 3.940 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)Nc3cccc(C(=O)NC4CC4)c3)o2)cc1 8230123 NJHCSBIBKNEDHW-UHFFFAOYSA-N 390.443 3.509 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCc2ccccc21 779171 JXMMGMBHKBRSGF-UHFFFAOYSA-N 378.501 3.570 0 40 GHAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc2c(ccc3ccccc32)s1 23152792 IBERBQRNMQAFCF-UHFFFAOYSA-N 386.440 3.606 0 40 GHAB O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)O1)N1CC[C@H]2CCCC[C@@H]2C1 105299532 HSGZKDYRIRBUMC-FCPHTXGTSA-N 396.516 3.734 0 40 GHAB CCOc1ccc(NC(=S)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)cc1 100427016 KJGJABPWMKFICH-QZTJIDSGSA-N 387.549 3.694 0 40 GHAB Cc1[nH]c2ccccc2c1CC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 68928832 VMTVQCZMLKWQFV-HNNXBMFYSA-N 383.442 3.940 0 40 GHAB Cc1ccc(F)cc1NC(=O)CSc1nc(C)c(C)n1C[C@H]1CCCO1 24514529 FRHSNFISCVEMQL-MRXNPFEDSA-N 377.485 3.857 0 40 GHAB CCOc1ccccc1N1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 12589911 KXIAZTRPHHOHIJ-QHCPKHFHSA-N 393.531 3.571 0 40 GHAB Cc1nc(NC(=O)COc2ccc(F)cc2Cl)sc1-c1nccn1C 12577824 BCGSUQAXQJSYDX-UHFFFAOYSA-N 380.832 3.662 0 40 GHAB COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S@@](=O)Cc2ccccc2)cn1 1383599 XNTUIWIKFGPDFS-DKUDOZJNSA-N 385.272 3.624 0 40 GHAB CCOc1ccc(Nc2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1 24985203 HRECFXWBBDQJBT-UHFFFAOYSA-N 377.444 3.850 0 40 GHAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1c[nH]c2ccccc12 24927620 IKCHPIYQNPOVGQ-UHFFFAOYSA-N 394.500 3.837 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1OC 25618333 LRFBMIIGLIYQHN-FUHWJXTLSA-N 398.434 3.632 0 40 GHAB COc1ccc(OC)c(NC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 27925950 WGLCOAMHHYMCSD-UHFFFAOYSA-N 380.448 3.828 0 40 GHAB COc1cc(OC)c(C2=CCN(C(=O)c3ccnc(Cl)c3)CC2)c(OC)c1 26003170 WHWZCUMZCGHDCY-UHFFFAOYSA-N 388.851 3.690 0 40 GHAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)NCc4ccc(Cl)cc4)cnc3c2c1 35423950 XXHDXSRDSTYINM-UHFFFAOYSA-N 394.862 3.546 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccccc2Cl)c(-c2ccc(F)cc2)n1 57508506 JGUCBDFFQXVUJT-UHFFFAOYSA-N 385.826 3.904 0 40 GHAB CC(C)Cc1nnc(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)s1 27995238 RYZLMSHNICOKPY-LLVKDONJSA-N 384.461 3.967 0 40 GHAB COc1cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc(OC)c1 58420580 YXJCFEAECJWFQL-UHFFFAOYSA-N 379.331 3.663 0 40 GHAB CCCCN(C)C(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 58626505 HCOCFANNQMYXCI-UHFFFAOYSA-N 381.398 3.949 0 40 GHAB COc1ccc(CN(C(=O)Cn2ccc(C(F)(F)F)n2)[C@@H](C)C2CC2)cc1 58642810 YAUSXHTWYNXDOZ-ZDUSSCGKSA-N 381.398 3.738 0 40 GHAB CCOC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 113880649 PYSKWZSUTMGAJF-UHFFFAOYSA-N 381.881 3.715 0 40 GHAB CCCOc1ccc(C(F)(F)F)cc1N[C@@H](C)C(=O)NC(=O)NC(C)(C)C 28809677 CLCHBZXMASQCJS-NSHDSACASA-N 389.418 3.919 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2c(-n3cccc3)sc(C)c2C)CC1 45861596 WPVJOGRBJRTOPB-UHFFFAOYSA-N 375.494 3.506 0 40 GHAB CCOc1cccc(-c2c(Nc3ccccc3)oc3c2c(=O)n(C)c(=O)n3C)c1 11614774 KTIIWSFNXPSHFZ-UHFFFAOYSA-N 391.427 3.640 0 40 GHAB O=C(c1ccc(F)cc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 12816979 HHTBNJWTUXPFED-UHFFFAOYSA-N 381.476 3.907 0 40 GHAB O[C@H](COc1ccc(Cl)cc1)Cn1cc[n+](Cc2ccccc2Cl)c1 12848714 RGOBSRXVPXZUCA-KRWDZBQOSA-N 378.279 3.571 0 40 GHAB O=C(COC(=O)c1ccccn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3433541 JTBBVXBUTLXIRR-UHFFFAOYSA-N 392.255 3.915 0 40 GHAB CS(=O)(=O)Cc1ccccc1NC(=O)N[C@@H]1CCc2cc(Cl)ccc21 69822766 HVWIPOHZLDZECK-QGZVFWFLSA-N 378.881 3.694 0 40 GHAB C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 12910357 TYGLXAYSVSZKQK-NSHDSACASA-N 384.785 3.966 0 40 GHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@]1(C)Cc2ccccc2C(=O)O1 69349072 JMELSCGVKZUBBG-IBGZPJMESA-N 377.362 3.836 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(F)cc1F 8310314 JLECLUJJHIFWIZ-SFHVURJKSA-N 388.414 3.902 0 40 GHAB COc1ccc2cc(CN(C)C(=O)c3ccc(S(C)(=O)=O)cc3)ccc2c1 8360914 WLISIVCNGHODHP-UHFFFAOYSA-N 383.469 3.524 0 40 GHAB Cc1cc(OCC(=O)NCc2ccccc2Cl)nc(N2CCCCCC2)n1 65101765 GXWFTTYOYASNPW-UHFFFAOYSA-N 388.899 3.514 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccccc2F)cc1I 6315386 LLYZLYUFCHCTET-UHFFFAOYSA-N 391.205 3.540 0 40 GHAB O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCN(c2ncccn2)CC1 6340614 CROQGHQGPLUWHE-HXUWFJFHSA-N 390.512 3.659 0 40 GHAB COC(=O)[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1cc(F)ccc1F 69568922 PZUZZXAFZMPMEN-OAHLLOKOSA-N 378.762 3.744 0 40 GHAB O=C(NC[C@H]1CCN(CC(F)(F)F)C1)C1c2ccccc2Oc2ccccc21 69580847 VBGPACUJLWIKSW-CQSZACIVSA-N 390.405 3.925 0 40 GHAB Cn1cc([C@H]2c3ccccc3C(=O)N2CC(=O)Nc2cccnc2)c2ccccc21 4734532 PWNUDSZZEZMFHY-HSZRJFAPSA-N 396.450 3.757 0 40 GHAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1C[C@@H]1CCCO1 4828294 LNSGKAXQXXIBII-AWEZNQCLSA-N 387.461 3.902 0 40 GHAB Cc1cc2nc(SCC(=O)Nc3ccc(F)cc3)n(CC(C)C)c(=O)c2[nH]1 67237692 DDQUVOIAXBSBEU-UHFFFAOYSA-N 388.468 3.559 0 40 GHAB CCN(CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)Cc1ccc(Cl)s1 15305337 SHAYMLCNOSVUKM-ZDUSSCGKSA-N 391.924 3.987 0 40 GHAB CCOC(=O)c1ccoc1Cn1cnc2scc(-c3ccccc3)c2c1=O 18276729 AJEZLETZQCYAFZ-UHFFFAOYSA-N 380.425 3.943 0 40 GHAB COc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)cc1 71327969 AIBKOYGIVKPXGU-UHFFFAOYSA-N 391.471 3.626 0 40 GHAB COc1ccc2c(CC(=O)N[C@H](c3ccccc3)c3nccn3C)coc2c1 9512964 FWKNFDODXCITGI-OAQYLSRUSA-N 375.428 3.623 0 40 GHAB COCCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21 9549751 SGRCYGLUWGQDCG-CYBMUJFWSA-N 399.472 3.531 0 40 GHAB COC(=O)C1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CC1 83884553 JHRWSGITOCKBIY-UHFFFAOYSA-N 383.410 3.929 0 40 GHAB CCc1nnc(SCC(=O)Nc2cccc(Br)c2)n1CC(C)C 9615028 WJQNZAZYURZFNC-UHFFFAOYSA-N 397.342 3.990 0 40 GHAB CN(C)Cc1ccnc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)c1 95963631 MSKPAFWGJYSTDZ-UHFFFAOYSA-N 390.274 3.888 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2cc(Cl)ncn2)CC1 95986299 SWCZXPVDYAOFQN-UHFFFAOYSA-N 386.670 3.791 0 40 GHAB O=C(CCC1CCCC1)N1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1 79109586 OQEVHSCIJMLICH-UHFFFAOYSA-N 399.457 3.637 0 40 GHAB CCCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 89954699 VREMIBRVNLUNCL-LBPRGKRZSA-N 379.309 3.815 0 40 GHAB Cc1cccc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)c1 306140891 VGEVRNGKYZLVRB-SFTDATJTSA-N 392.528 3.643 0 40 GHAB CN(C)CCn1ccc(-c2nc(C(=O)NC3CCCCCC3)c3ccccn23)c1 306139381 SVULDLHKVHECAW-UHFFFAOYSA-N 393.535 3.817 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)ccc1Cl 31055347 KLEPPHOXCSCQSA-UHFFFAOYSA-N 386.835 3.501 0 40 GHAB O=C1COc2ccc(/C=C/c3nc(O)c4cc(Br)ccc4n3)cc2N1 530528764 NXSKIOMJYMPUBF-QHHAFSJGSA-N 398.216 3.599 0 40 GHAB O[C@@H](c1ccccn1)c1cccc(F)c1N1CCN(Cc2cccs2)CC1 72340697 VGILOYDLWYRZEQ-OAQYLSRUSA-N 383.492 3.686 0 40 GHAB CCc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CCN(CC)CC2)cc1 30999065 PCBXNNWXUUTGGZ-UHFFFAOYSA-N 393.531 3.993 0 40 GHAB CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1NC(=O)OC(C)(C)C 72214362 ISSSKVSWUMBHRZ-UHFFFAOYSA-N 379.457 3.916 0 40 GHAB Cn1nc(C2CC2)nc1COc1cccc(-c2nc3cc(F)ccc3n2C)c1 563136557 WRLFVCZZXRLUCU-UHFFFAOYSA-N 377.423 3.964 0 40 GHAB CN([C@@H](C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1)S(C)(=O)=O 225044681 FDTVAMXCHRAFQO-OAHLLOKOSA-N 387.288 3.565 0 40 GHAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1CC(=O)N(C2CCCC2)C1 40018314 LRNZKDOAOWGDMH-OAHLLOKOSA-N 384.476 3.848 0 40 GHAB Cc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1C 222759233 MFXKBNGEPKNCOB-UHFFFAOYSA-N 396.512 3.539 0 40 GHAB Cc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1NS(C)(=O)=O 224087726 VQCOBNDVPMATFH-UHFFFAOYSA-N 395.484 3.605 0 40 GHAB COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)c1 49544015 XDVYSAICNIBMFV-INIZCTEOSA-N 396.468 3.664 0 40 GHAB Cc1ccccc1CN(C(=O)Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C 224141798 KUHGPFJGWKQZKD-GOSISDBHSA-N 384.495 3.866 0 40 GHAB COc1ccc(S[C@H](C)C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 44899962 VZPQFDLBKRTFSO-CYBMUJFWSA-N 391.489 3.518 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 223827132 KQNDKOPGCRKSDA-UHFFFAOYSA-N 393.770 3.946 0 40 GHAB C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc(OC(F)F)cn1 575331712 KBDPNYRQIBDTRE-NSHDSACASA-N 392.410 3.541 0 40 GHAB CCOc1cc(CNS(=O)(=O)c2ccc(OC)c(C(C)C)c2)ccc1OC 223703334 MCZUKWLLTGARKD-UHFFFAOYSA-N 393.505 3.704 0 40 GHAB CCCCc1ccc(NC(=S)NC2CCN(C3CCOCC3)CC2)cc1 225213351 GGPNASSBKOUABG-UHFFFAOYSA-N 375.582 3.959 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)cc1 222966461 WDNUVOPJCZSXHN-LJQANCHMSA-N 388.895 3.581 0 40 GHAB O=C1C[C@H](Nc2ccccc2Cl)C(=O)N1c1ccccc1Br 96248382 IWUVLKLPGUHJSN-ZDUSSCGKSA-N 379.641 3.847 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2 257228236 FSYVOFPNXANJSG-WGVRVLLMSA-N 382.533 3.649 0 40 GHAB CN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1)C1CCCCC1 257315537 VBWMVTDZCYQMLK-PMKZCDPUSA-N 381.520 3.766 0 40 GHAB CC(C)N1CCC(Cc2nccnc2N2C(=O)OC[C@@H]2Cc2ccccc2)CC1 257261011 LFKDJVNRVCAVKK-FQEVSTJZSA-N 394.519 3.707 0 40 GHAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)CN3CCCCC3)o2)c1 257213325 CHBHRNKQDXOFQF-OAQYLSRUSA-N 397.519 3.814 0 40 GHAB CCc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccccc2)cc1 260895255 JNELEDRFCKXROS-QGZVFWFLSA-N 388.533 3.605 0 40 GHAB O=C(c1cccc2cc(O)ccc12)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 633116864 CRGNSAZEVONVIT-QHCPKHFHSA-N 379.431 3.752 0 40 GHAB C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)C[C@H]1NC(=O)c2ccccc21 1152158449 RYZXNRYSHJBTIH-DENIHFKCSA-N 384.426 3.763 0 40 GHAB O=C(c1cc(=O)c2ccccc2o1)N1CCC(CSc2ccccn2)CC1 90608052 OETXAPFBGBZHTK-UHFFFAOYSA-N 380.469 3.833 0 40 GHAB CCOc1ccc2ccccc2c1C(=O)NCCn1ccc(C(F)(F)F)n1 96098997 KKOFFOMINKWOME-UHFFFAOYSA-N 377.366 3.884 0 40 GHAB O=C(Nc1cn(Cc2ccccc2)nn1)N(Cc1ccc(F)cc1F)C1CC1 574341918 MRPZNKHCIBXCIX-UHFFFAOYSA-N 383.402 3.801 0 40 GHAB CCc1ccc2c(CNc3cccc(CN4CCOC4=O)c3)cc(=O)oc2c1 56160995 DQLXXDZWYFHQRC-UHFFFAOYSA-N 378.428 3.920 0 40 GHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)NCCc1ccc(Cl)cc1 5979419 NBMLQHLCUKOQAA-UHFFFAOYSA-N 385.769 3.875 0 40 GHAB CCOc1ccc(C(=O)N2CCC[C@@H](c3nc(C)ncc3-c3ccncc3)C2)o1 12117228 OHWTUNBZCANJNG-QGZVFWFLSA-N 392.459 3.859 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2)c2nc3c(cc12)CN(C[C@@H]1CCCO1)C(=O)O3 12251545 MRVLLBAPLOJZHT-INIZCTEOSA-N 398.850 3.876 0 40 GHAB Cc1nc(C)c(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)o1 12749026 AOMOJIIGXWGYGN-QGZVFWFLSA-N 377.448 3.587 0 40 GHAB COc1ccc(CCCNC(=O)c2ccc(I)cc2)cc1 13632580 WWXRNUSNXATHHE-UHFFFAOYSA-N 395.240 3.662 0 40 GHAB CCN(CC)CCn1/c(=N/C(=O)Cc2ccc(Cl)cc2)[nH]c2ccccc21 14651455 IAQACXQCRPHTFO-UHFFFAOYSA-N 384.911 3.635 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 17078029 NREVVAOCAYKIAH-DACLVMHWSA-N 381.863 3.513 0 40 GHAB COc1ccc(CCC(=O)N2CCCC[C@@H]2c2ccnc3cc(C)nn23)cc1 19130572 NBTYCRKNLUMQKM-LJQANCHMSA-N 378.476 3.733 0 40 GHAB Cc1ccccc1CN1CCN(c2c(F)cccc2[C@@H](O)c2nccs2)CC1 19237234 PSSSXIWMAQTJKS-OAQYLSRUSA-N 397.519 3.995 0 40 GHAB NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccc2)C1 19374293 UGESTGWGZVXEEU-RUZDIDTESA-N 384.479 3.914 0 40 GHAB C[C@@H]1Cc2cc(CCC(=O)NCCCc3nc4ccc(F)cc4[nH]3)ccc2O1 19498131 AWWPCMBCWDDEFE-CQSZACIVSA-N 381.451 3.707 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(c3ccccn3)C2)c(OC)c1 19552084 IBWZRUFVUKRAMN-XLIONFOSSA-N 395.503 3.679 0 40 GHAB CCCc1nnc(S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)O)[nH]1 7342316 SVWSOTWHDAUORL-PTNGSMBKSA-N 399.432 3.674 0 40 GHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)/C=C/C(=O)O 8429672 JGXPIUHNAVJFRW-VAWYXSNFSA-N 395.846 3.792 0 40 GHAB CN(C)CC(C)(C)CNC(=O)Cn1c(-c2ccc(F)cc2)cc2cccnc21 12219981 DETHMIZOSSKJHT-UHFFFAOYSA-N 382.483 3.546 0 40 GHAB C[C@@H](CCc1ccccc1)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1 19455820 DLHUFMAQXGKVEB-IBGZPJMESA-N 390.531 3.638 0 40 GHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2cccc(F)c2)NC(=S)N1 85409714 KDMHSBXXCCBJDC-INIZCTEOSA-N 375.856 3.911 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1coc2ccccc2c1=O 4194610 GKUKIOJYXXWULY-UHFFFAOYSA-N 392.392 3.898 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)c1 4327640 XDRRXVWSPRYPPI-UHFFFAOYSA-N 390.472 3.534 0 40 GHAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2ccc3ccccc3c2)o1 4585644 OWDVVYKMUDKQRU-UHFFFAOYSA-N 393.424 3.546 0 40 GHAB COc1ccc(N2C[C@@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)c(OC)c1 12414352 QSOQGJUUVHJIFK-ZDUSSCGKSA-N 399.834 3.928 0 40 GHAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)Nc1ccc(Cl)cc1 22505940 RXOYCPMKXASDNI-UHFFFAOYSA-N 379.869 3.832 0 40 GHAB Cc1cc(C)n([C@H](CNC(=O)c2ccc3nsnc3c2)c2ccsc2)n1 575613485 HZAOJFATCFRRQX-QGZVFWFLSA-N 383.502 3.586 0 40 GHAB COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 100580360 SROYVBSRTNKJEG-DKSSEZFCSA-N 393.439 3.840 0 40 GHAB Brc1ccccc1OCc1nc(-c2ccc3c(c2)OCO3)no1 72084395 GTFUIVCCSOKQDB-UHFFFAOYSA-N 375.178 3.807 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)NCC(C)C)nnc1-c1cccnc1 796449 CGSLSSHNTYGOGX-UHFFFAOYSA-N 381.505 3.502 0 40 GHAB CCOc1cc(C(=O)Nc2ccc(N(C)C)nc2)ccc1OCc1ccncc1 32795935 DTLVZKKTNAXYAK-UHFFFAOYSA-N 392.459 3.773 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(NC(=O)C2CCCCC2)s1 1381581 IVLHWVZELOVFDO-CHWSQXEVSA-N 396.582 3.939 0 40 GHAB O=C(O)CC[C@]1(C(=O)O)NC[C@H](c2ccccc2Cl)c2c1[nH]c1ccccc21 2661564 FWJAXMZGUCUFFB-SZNDQCEHSA-N 398.846 3.701 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 3528791 UQACXQFRHUTLRN-UHFFFAOYSA-N 395.532 3.996 0 40 GHAB O=c1c2c3n(c(SC[C@H]4CCCO4)nc-2nn1-c1ccccc1)CCCCC3 2658862 AOWPDVKMIYTEJJ-MRXNPFEDSA-N 396.516 3.531 0 40 GHAB COCCCn1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1cccs1 4161517 DSUJNOLHYSFTBY-CQSZACIVSA-N 394.566 3.536 0 40 GHAB C[C@H](Oc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C(=O)c1ccccc1 102593065 RZWDZOBCJKFJNC-CCTJXGJQSA-N 387.435 3.648 0 40 GHAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)O[C@H](C)C(C)=O)cc1OC 32903481 XKZVIRFGOHLKLE-OAHLLOKOSA-N 394.427 3.691 0 40 GHAB Cc1cccc2sc(NC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)nc12 32994683 QEDVDKBZZOKPHG-INIZCTEOSA-N 379.485 3.634 0 40 GHAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)C(Cl)(Cl)Cl 6234804 NAJBUGVGAQSABD-UHFFFAOYSA-N 382.483 3.882 0 40 GHAB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)s2)c1 6679697 QNGUSRBGGLHWJE-UHFFFAOYSA-N 378.519 3.710 0 40 GHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 6993791 HKGOCKPWEFMLEH-HNNXBMFYSA-N 388.920 3.805 0 40 GHAB Cc1cc(C)cc(COC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)c1 46440873 BSBVUCVOSKXZEV-UHFFFAOYSA-N 397.500 3.803 0 40 GHAB CCc1ccccc1N1C[C@@H](C(=O)N[C@H]2CCSc3ccccc32)CC1=O 8315302 QSIRIWNIUYUMSI-WMZOPIPTSA-N 380.513 3.955 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(C)cc2C)n1 8476455 BHWZVIDISYMDFP-UHFFFAOYSA-N 398.894 3.971 0 40 GHAB C[C@@H]1CN(Cc2csc(NC(=O)CCCc3cccs3)n2)C[C@@H](C)O1 22297169 GMHLTALCQVVERF-ZIAGYGMSSA-N 379.551 3.775 0 40 GHAB CC1CCN(c2nnc(S[C@@H](C)C(=O)Nc3ccccc3)n2C2CC2)CC1 9054430 DRPULVLBQPVOQB-HNNXBMFYSA-N 385.537 3.969 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1cc2nccc(-c3cnn(C)c3C)n2n1 2795514 NGFUQKMBLQLUKQ-UHFFFAOYSA-N 380.839 3.652 0 40 GHAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)cc1 876819 SZEQWTJQFLPAGZ-FNWSHLARSA-N 378.428 3.588 0 40 GHAB CCOc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 27531254 CGTKDDMPBWUMKL-YBEGLDIGSA-N 386.860 3.518 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)c(OC(C)C)c(OC)c2)C1 23979671 ZGHOVYABDZQZCJ-CYBMUJFWSA-N 383.872 3.551 0 40 GHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc2c(cc1Cl)OCCCO2 26987110 COKYUDJMWSVXEV-ZMZPIMSZSA-N 375.808 3.668 0 40 GHAB COc1ccc(S[C@H](C)C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1OC 20456213 AFWAYDLARAHQEL-BRWVUGGUSA-N 394.581 3.669 0 40 GHAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@@H](C)c1ccccc1 3018423 MHXHQIGCWWTWEK-IIBYNOLFSA-N 378.472 3.952 0 40 GHAB Cc1nn(C)c2ncc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc12 55396587 NUEVYSZEGJGOLD-UHFFFAOYSA-N 397.385 3.781 0 40 GHAB CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccccc3)[C@@H]2C1=O 100799259 RJSQHGJCDADIRW-OTWHNJEPSA-N 384.863 3.987 0 40 GHAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@H]3c3ccccc3Cl)ccc2N1 56123930 ZWQHCVUCQJGIMC-SFHVURJKSA-N 390.892 3.751 0 40 GHAB Cc1nn(-c2ccccc2)nc1C(=O)N(C)Cc1nc2ccccc2n1C(F)F 12525639 ANSBHVOJZQPQGG-UHFFFAOYSA-N 396.401 3.593 0 40 GHAB O=C(CCn1cnc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12549919 RDLWNTOVVMWTHP-IBGZPJMESA-N 391.471 3.951 0 40 GHAB CCn1nc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccccc2c1=O 3287831 DOKWAWROFPADEX-UHFFFAOYSA-N 382.470 3.854 0 40 GHAB CC[C@H](C(=O)Nc1ccc(Cl)cc1)n1ncc(-c2ccc(OC)cc2)nc1=O 44804308 XCGCQTMXJKYHQX-GOSISDBHSA-N 398.850 3.557 0 40 GHAB Cc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)c2c(C)nn(C)c2n1 58201207 JFTCZGPRAXQKAS-UHFFFAOYSA-N 377.370 3.812 0 40 GHAB O=C(CCc1ccc(F)c(F)c1)NCC[C@@](O)(c1ccccc1)C(F)(F)F 58343342 GXOBNDCERCUIOY-GOSISDBHSA-N 387.348 3.854 0 40 GHAB CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O 113967952 UWUBZXXMKODHQA-CRAIPNDOSA-N 392.496 3.556 0 40 GHAB CC(=O)c1cccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c1 3301996 ZECFRLACPGSEIY-UHFFFAOYSA-N 378.428 3.875 0 40 GHAB Cc1cnc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cn1 12774971 WNARIDXJKQJFEZ-UHFFFAOYSA-N 383.455 3.627 0 40 GHAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 12752531 BBLNWUPNPIBALF-NWDGAFQWSA-N 389.429 3.790 0 40 GHAB Cc1[nH]c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc2c1C 12762558 AYPIGVSGBWFRAC-IBGZPJMESA-N 383.517 3.650 0 40 GHAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCCC3=CCCCC3)C2=O)cc1 12784371 DBTDCBMOVOQSPI-QHCPKHFHSA-N 397.519 3.584 0 40 GHAB C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N1CCCCC1 12886681 MNIUMYBRMKFXFU-CQSZACIVSA-N 376.551 3.686 0 40 GHAB O=S(=O)(c1ccccc1Br)N(Cc1ccccc1F)C1CC1 12811472 XWQRCJIEFJEEDI-UHFFFAOYSA-N 384.270 3.942 0 40 GHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1cc(Br)ccc1F 12864572 WLYFIVMTUHDFRH-UHFFFAOYSA-N 391.240 3.867 0 40 GHAB Cc1ccc(C(=O)OCC(=O)N(C)c2ccccc2)cc1NC(=O)c1ccco1 3488153 WCXNZVJMDXODAB-UHFFFAOYSA-N 392.411 3.660 0 40 GHAB CC(=O)c1ccc(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)cc1 3497489 AFXWIPOVRQEMIP-UHFFFAOYSA-N 378.384 3.648 0 40 GHAB O=C(NCc1ccnc(-n2ccnc2)c1)c1ccc(COc2ccc(F)cc2)o1 62580683 SFRYXXIZHXXJEN-UHFFFAOYSA-N 392.390 3.508 0 40 GHAB CCCOc1ccc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1 8768619 KBCFGBZLXGVUNP-QGZVFWFLSA-N 375.428 3.700 0 40 GHAB Cc1cc(C)cc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)nn(C)c3C)o2)c1 18961256 YKBQIIKDAIBJMG-AWEZNQCLSA-N 385.493 3.823 0 40 GHAB Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)nc2n1 8984293 UTEBUSVVSNSBDX-LLVKDONJSA-N 395.410 3.879 0 40 GHAB CCCCOc1ccc(C2=N/C(=C\c3ccc(C(=O)OC)cc3)C(=O)O2)cc1 409005773 VQEHJBOOVVTPAB-RGEXLXHISA-N 379.412 3.997 0 40 GHAB O=c1nc(NCc2ccco2)c(SCc2ccc(Cl)cc2Cl)n[nH]1 5009571 UBJUKXILQFWDAH-UHFFFAOYSA-N 383.260 3.969 0 40 GHAB Cc1ccc(SCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)cc1C 5016989 XEJLFPHFGSRSMO-SFHVURJKSA-N 395.590 3.744 0 40 GHAB Brc1cncc(-c2nn3c(CCc4ccccc4)nnc3s2)c1 13719116 PNHALWJINGDJEB-UHFFFAOYSA-N 386.278 3.796 0 40 GHAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(O)n(Cc2ccccc2)c(=O)n1 6161324 MNBMJQCFDLQQSO-UHFFFAOYSA-N 390.226 3.556 0 40 GHAB CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccnc1)N(c1cc(C)on1)C3=O 5267581 JBWGTHQWIFXFHL-IBGZPJMESA-N 387.395 3.797 0 40 GHAB COc1cc(F)ccc1NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 25312015 DGPIEDHCHYSMPC-UHFFFAOYSA-N 378.403 3.870 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1Cl 14251276 JXZNJPMKAKCSMG-CQSZACIVSA-N 390.842 3.979 0 40 GHAB COc1cc(/C=C/C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)ccc1O 5463009 MWBFHIGEJITWJK-UFSNDUKISA-N 395.455 3.711 0 40 GHAB O=c1oc2cc(OS(=O)(=O)c3ccccc3)c(Cl)cc2c2c1CCC2 4749051 WVPGFJLUADIWIL-UHFFFAOYSA-N 376.817 3.703 0 40 GHAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1 14777494 FVHGZXQLPRCRKU-CYBMUJFWSA-N 392.850 3.802 0 40 GHAB CCCCOc1ccc(C(=O)OCC(=O)N[C@@H](C)c2cccc(OC)c2)cc1 67197674 AQJGPARFXFAOLF-INIZCTEOSA-N 385.460 3.908 0 40 GHAB Cc1cc2nc(SCC(=O)Nc3cc(F)ccc3F)n(C(C)C)c(=O)c2[nH]1 67236040 OBVHOQHSKXHLBY-UHFFFAOYSA-N 392.431 3.623 0 40 GHAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 67567194 GGNLJFUBRKRBNR-OXJNMPFZSA-N 381.476 3.691 0 40 GHAB O=C(COc1ncnc2ccc(Br)cc12)Nc1cccc(F)c1 7653236 YBNZINGXTZWDQQ-UHFFFAOYSA-N 376.185 3.549 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccc(F)cc2)cc1 9436249 QZCWZLACIVJINV-IBGZPJMESA-N 379.391 3.784 0 40 GHAB CCc1sc2nnn(CC(=O)Nc3cccc4ccccc34)c(=O)c2c1C 9485845 JNTOGYAAPOPOOF-UHFFFAOYSA-N 378.457 3.516 0 40 GHAB CC(C)Cc1ccc([C@H](C)NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 8031636 RBCXZQHHKGQOQH-HNNXBMFYSA-N 397.450 3.718 0 40 GHAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCC[C@@H](C)C3)c2C1 8008068 KGIIXDUTNFXNPC-JKSUJKDBSA-N 380.488 3.775 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc2c(c1)OCCO2 8009563 NZBNRYHESUHYPF-UHFFFAOYSA-N 377.444 3.533 0 40 GHAB CCN1CCC[C@H]1CN/C=C1/C(=O)N(c2ccccc2C)C(=O)c2ccccc21 19881263 BZULJISVOWCXJN-SAGAUJLNSA-N 389.499 3.597 0 40 GHAB Cc1cc(C)c(OCC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 8349520 CYHVUAXDRVXTRI-GOSISDBHSA-N 378.476 3.791 0 40 GHAB CCN(CC)CCO[C@@H]1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 72309463 UWXCYLVKTQQDTC-HSZRJFAPSA-N 395.547 3.872 0 40 GHAB C[C@H](NC(=O)N1CCO[C@H](c2ccccc2)C1)c1ccc(-n2ccnc2)cc1 95350794 BYNQRZLEZKRIPD-UWJYYQICSA-N 376.460 3.716 0 40 GHAB O=S(=O)(Cc1ccccc1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 95410464 LIZRSZYIKYVJGL-LJQANCHMSA-N 387.526 3.814 0 40 GHAB CCOc1ccccc1C(=O)NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98212583 UDDNZLHIHUYAAP-UHFFFAOYSA-N 390.487 3.874 0 40 GHAB O=C(Nc1ccnc(Sc2ccccn2)c1)N1CCN(c2ccccc2)CC1 79306172 IWNHIRHHCZULFR-UHFFFAOYSA-N 391.500 3.982 0 40 GHAB CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)COCO3)CC1 95962873 JRQOYVQVEFWKJA-UHFFFAOYSA-N 380.444 3.678 0 40 GHAB COc1ccc2ccn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)c2c1 89467171 FABDLBJGXJOJAV-UHFFFAOYSA-N 377.227 3.956 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(CN2CCOCC2)cc1 23731109 XDOJZBUVZPCSAK-UHFFFAOYSA-N 378.394 3.719 0 40 GHAB Cc1nn(C)c(C)c1[C@H](C)c1nc([C@@H]2CN(Cc3ccccc3)[C@@H](C)CO2)no1 547227253 GVKOHHQHQFXKEA-DOXZYTNZSA-N 395.507 3.534 0 40 GHAB O=C(NCc1ccc(F)cc1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 21538822 NHBRAAONKSMWSY-UHFFFAOYSA-N 396.491 3.877 0 40 GHAB CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc4nc(O)oc4c3)ccc2o1 32097534 RKRWOCSFZWUJLW-UHFFFAOYSA-N 387.417 3.773 0 40 GHAB CCc1ccc(C2=NN(C(=O)c3cccc(C)c3O)[C@@](O)(C(F)(F)F)C2)cc1 409100975 WGEIJSFJMPGWPX-IBGZPJMESA-N 392.377 3.764 0 40 GHAB C[C@@H](NC(=O)N1CC[C@H](N2CCCC2=O)C1)C(c1ccccc1)c1ccccc1 558726620 WMVIYZAWNRHHQY-NQIIRXRSSA-N 391.515 3.613 0 40 GHAB COc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 30860562 OZFHOLDDEWPLHX-CQSZACIVSA-N 375.490 3.852 0 40 GHAB O=C(NCc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 30850671 CKOAEEICUYBKNE-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB O=C(Cc1cccc(F)c1)NC1(c2nc(-c3cccnc3)no2)CCCCC1 77197450 JYLFQQVGCHAUHL-UHFFFAOYSA-N 380.423 3.789 0 40 GHAB O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)c1ccncc1 35314923 ULORIOBEFSSGNR-UHFFFAOYSA-N 376.435 3.800 0 40 GHAB Cc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)o1 72326506 FFZJWVNDKSSNQB-BZHLCIIWSA-N 393.487 3.582 0 40 GHAB CC[C@@H](CNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1)OC 72344837 CKXPIQANVAAFSA-NRFANRHFSA-N 382.504 3.629 0 40 GHAB CC[C@H](C)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)O 217608030 QFXSCLODYHITTI-KBPBESRZSA-N 376.478 3.635 0 40 GHAB Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C(=O)c1ccccc1 72224697 NQLNLXGXAXBHCT-UHFFFAOYSA-N 381.476 3.678 0 40 GHAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c(C)c1 224553339 KNJYLPCRBFQBGI-UHFFFAOYSA-N 384.495 3.850 0 40 GHAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 223945966 APUAHNYUFZWMPT-JOCHJYFZSA-N 396.531 3.961 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)NCCc3ccccc3)o2)c(OC)c1 224865795 AGFBSQBCYDTMJF-UHFFFAOYSA-N 380.444 3.650 0 40 GHAB COCc1cccc(CNC(=O)[C@@H](C)Oc2ccc(F)cc2Br)c1 40114026 HLIMSHDOJSAKHQ-GFCCVEGCSA-N 396.256 3.818 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(Cl)c1 224673902 SPIBJAOZKIEVLY-OAHLLOKOSA-N 390.886 3.964 0 40 GHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(C)(C)C)cc1 225420059 VNHCFSSAGFJASO-HNNXBMFYSA-N 388.533 3.725 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1C(C)C 224636173 IAUXEMOFCDUNDH-UHFFFAOYSA-N 383.897 3.829 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 225574890 MOBCKBAWFIKWDQ-INIZCTEOSA-N 388.508 3.860 0 40 GHAB Cc1c(Cl)cccc1N(CCCC(=O)NCC1=CCCCC1)S(C)(=O)=O 224773192 WJINKMRBDXKBSN-UHFFFAOYSA-N 398.956 3.811 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222521989 PPIBFXBTWAEDGI-ZDUSSCGKSA-N 380.897 3.535 0 40 GHAB COC(=O)c1ccc(OCc2ccc(I)cc2)c(OC)c1 226360863 ZEYLZGIUGVUXJL-UHFFFAOYSA-N 398.196 3.665 0 40 GHAB O=C1[C@@H]2C[C@@H](CN2C(=O)c2ccccc2)Oc2ccccc2N1Cc1ccccc1 225478295 CYCMGAMWTXTXTL-UNMCSNQZSA-N 398.462 3.896 0 40 GHAB biogenic,in-vitro Cc1cccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3ccc4c(c3)OCO4)C2)c1 96075118 RNXHWZGMMBBFAE-VGSWGCGISA-N 393.443 3.606 0 40 GHAB O=C1[C@@H]2C[C@@H](CN2Cc2nccs2)Oc2ccccc2N1Cc1ccccc1 96111794 CZNGUWPYILPGCQ-HKUYNNGSSA-N 391.496 3.712 0 40 GHAB biogenic,in-vitro COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccc(OC)c4)C3)C2)c1 96215657 RCWULEUEKRFAIO-DEOSSOPVSA-N 394.515 3.832 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)CC1CCCCC1)C1CCS(=O)(=O)CC1 584906869 GZJUHXQHYYABPF-FQEVSTJZSA-N 377.550 3.509 0 40 GHAB CC(C)c1ncc(Cl)c(C(=O)Nc2c(-c3nc4ccccc4[nH]3)cnn2C)n1 581303758 BMOFYCIMFBOIKU-UHFFFAOYSA-N 395.854 3.783 0 40 GHAB O=S(=O)(Nc1cccnc1)c1cc(Cl)c(Br)cc1Cl 1614623352 QOCPKUPKXNKLGV-UHFFFAOYSA-N 382.066 3.952 0 40 GHAB Cn1ccnc1[C@H](NC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1)C1CC1 644955305 URJXEZYFPHTYPK-GOSISDBHSA-N 399.564 3.796 0 40 GHAB O=C1C[C@@]2(CCc3ccccc32)C(=O)N1Cc1cc(F)ccc1OC(F)F 664006197 XXIJWRGYNPCHCU-HXUWFJFHSA-N 375.346 3.570 0 40 GHAB Cc1ccc(OC2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)nn1 96119415 ICWXJCMYEXIWPF-UHFFFAOYSA-N 389.883 3.666 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NCC1(c2ccsc2)CCOCC1 952989333 BQJFOBITXVTFHZ-UHFFFAOYSA-N 385.938 3.737 0 40 GHAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1cc(F)ccc1Cl 1655975335 LJSSPANRHWXIDT-KRWDZBQOSA-N 379.840 3.644 0 40 GHAB CC[C@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)Nc1nccs1 5415175 WEMGMPKTWSLSHM-GJZGRUSLSA-N 378.542 3.862 0 40 GHAB biogenic,in-vitro O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(N2CCCC2=O)c1 12197169 DCQZKRNUZIQXSF-UHFFFAOYSA-N 391.471 3.692 0 40 GHAB Cc1ccc(C(=O)NCC(=O)OCc2nc(-c3ccccc3)oc2C)cc1C 12472438 CNJJFASWOMIPIQ-UHFFFAOYSA-N 378.428 3.740 0 40 GHAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 13684591 APXPTVMHSSCSQC-GOSISDBHSA-N 396.487 3.538 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)CCSCc1ccccc1 13684907 QJCDXAHPASLPPK-UHFFFAOYSA-N 386.517 3.715 0 40 GHAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1cccc(Cl)c1 16330460 UUMITOYZOITECU-LBPRGKRZSA-N 384.914 3.513 0 40 GHAB Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C 16959365 ZCKJCQOAJPWPML-UHFFFAOYSA-N 386.517 3.659 0 40 GHAB O=C(NC1C2CC3CC(C2)CC1C3)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 18128497 GANIKCINJQMYPH-ABJBDXPDSA-N 380.536 3.515 0 40 GHAB Cc1ccc(CN(C)C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)o1 19216408 UDKFEWHDRWQQKV-UHFFFAOYSA-N 397.500 3.820 0 40 GHAB CCC(=O)N1CC[C@@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)N(C)C)C1 19498434 HTGMZWJQTOMNCK-QHCPKHFHSA-N 382.479 3.752 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)cc2N1 19574914 RWYRVQXWHZYZKJ-HGTKMLMNSA-N 382.430 3.863 0 40 GHAB COc1ccc(CN2CCC[C@H](c3noc(-c4cnccn4)n3)C2)c(C)c1C 19577370 CSITZRKBZZTMEO-KRWDZBQOSA-N 379.464 3.532 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)cc2)n1 19656075 JJLAPGBZJVPFSI-JOCHJYFZSA-N 390.487 3.706 0 40 GHAB Cc1nc2ccc(NC(=O)CC3CCN(C(=O)Cc4ccccc4)CC3)cc2[nH]1 19748598 JCRPIVBZRACBQY-UHFFFAOYSA-N 390.487 3.681 0 40 GHAB CCc1cccc(C)c1NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930516 FLOWDSFXAKVHAH-UHFFFAOYSA-N 386.517 3.569 0 40 GHAB CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC 5367226 NIIJJISQEZFEFE-FQOCCVISSA-N 389.492 3.734 0 40 GHAB Cc1ccc(C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)s1 12188556 UMWSGJVYQSXNNV-UHFFFAOYSA-N 395.410 3.533 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 3605381 QOWYVYUGJSZSNQ-JTQLQIEISA-N 389.238 3.567 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)NC[C@@H](c2cccs2)N(C)C)c1 21321842 DWDIHQNJJJWZGS-IBGZPJMESA-N 399.516 3.965 0 40 GHAB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2c(C)cc(OC)cc2C)c1 29047269 VHPGKWFJSRWJGU-UHFFFAOYSA-N 390.505 3.595 0 40 GHAB Cc1ccc(Cc2c(F)cccc2Cl)c(CC(=O)OCCOCC(=O)O)c1 2060993158 XMHNPMDUMVEQDH-UHFFFAOYSA-N 394.826 3.565 0 40 GHAB COc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1ccc(C)cc1 4033234 RLVSPRHNELICEJ-UHFFFAOYSA-N 394.456 3.514 0 40 GHAB CCOC(=O)[C@@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)oc1C)C(C)C 4501615 ZNCBOXSDTMSIFN-IBGZPJMESA-N 389.448 3.590 0 40 GHAB CCSc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 5241655 KMUHVKYUSJVDIC-UHFFFAOYSA-N 383.429 3.872 0 40 GHAB O=C(C[C@H](NCc1ccco1)C(=O)O)Nc1ccc(Nc2ccccc2)cc1 5257993 JUFREVLYXHOVNK-IBGZPJMESA-N 379.416 3.595 0 40 GHAB NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)CCc2ccccc2)s1 12442879 SJHXVMVEAMHJRX-UHFFFAOYSA-N 397.525 3.959 0 40 GHAB O=C1C[C@@H](c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc2c(c1)OCO2 12416018 XUBBQKXTMCMRQD-GFCCVEGCSA-N 383.791 3.639 0 40 GHAB Cc1ccccc1-c1ccc(N2CCC(NC(=O)/C=C/c3cccnc3)CC2)nn1 1775967528 VKNKOCXBISLPEV-DHZHZOJOSA-N 399.498 3.645 0 40 GHAB Cc1nc2cc(NC(=O)Cn3cnc(-c4cccs4)cc3=O)ccc2s1 49028328 FJPZPEQFBXOZIU-UHFFFAOYSA-N 382.470 3.529 0 40 GHAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2cncc(Br)c2)C1 575618914 XJJBLYARKSGBQT-OAHLLOKOSA-N 385.265 3.589 0 40 GHAB C=CCn1c(O)c(C(=O)Nc2cc(Cl)ccc2OC)c(=O)c2ccccc21 5911112 BRSVFUUAPOLIRV-UHFFFAOYSA-N 384.819 3.807 0 40 GHAB Cc1nc(C2(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)CCCCC2)no1 40040094 VEJBBIACDCBGRG-GOSISDBHSA-N 385.464 3.525 0 40 GHAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2ccc(O)c(OC)c2)c1 40266648 LVCZUTICWRRVAW-AWEZNQCLSA-N 395.415 3.727 0 40 GHAB COc1ccc(CCN(C)C(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1OC 30866149 PXDXCVHLAOOLGQ-UHFFFAOYSA-N 397.475 3.722 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)Cc1csc(-c3ccco3)n1)CC2 31036524 VHRFWZRZNNMNBH-UHFFFAOYSA-N 384.457 3.548 0 40 GHAB Cc1ccc2nc(NC(=O)CN3CCN(c4ccc(F)cc4)CC3)sc2c1 20591373 GVASVSMBLHOJHP-UHFFFAOYSA-N 384.480 3.505 0 40 GHAB COc1ccc(C(=O)CSc2nc3ncc(Br)cc3[nH]2)cc1 8657137 FNROORKARHFDEP-UHFFFAOYSA-N 378.251 3.704 0 40 GHAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4nncs4)cc3)ccc12 21212910 KQUULRQJJOKMAF-UHFFFAOYSA-N 393.424 3.784 0 40 GHAB O=C(Oc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 102083380 PFWBGXFUCLCCQU-BIPCEHGGSA-N 393.826 3.871 0 40 GHAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccc(O)cc3)n21 882910 FGXAEQCZDDCIQC-UHFFFAOYSA-N 380.473 3.673 0 40 GHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)cc1 894712 SXOGTYCMTUUBSA-UHFFFAOYSA-N 396.516 3.996 0 40 GHAB O=C(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 990802 CHBUBPAJSRQOKU-UHFFFAOYSA-N 398.956 3.967 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cc2cc(C(C)=O)ccc2OC)c1 32741070 HPPJRTCVYZGYTQ-FQEVSTJZSA-N 397.471 3.821 0 40 GHAB O=C(NCc1ccc(Cn2cncn2)cc1)c1cccc2c3c([nH]c12)CCCC3 32795824 VGUTZZFFMHYUFU-UHFFFAOYSA-N 385.471 3.617 0 40 GHAB CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)c1ccc2c(c1)CCC2 21468731 VHZDREWXLHSLGP-AWEZNQCLSA-N 394.500 3.913 0 40 GHAB Cc1ccc(F)c(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1 32856060 ANODOJPVMPKPMM-UHFFFAOYSA-N 382.482 3.623 0 40 GHAB O=C(NC[C@@H](CO)Cc1ccsc1)C1c2ccccc2Oc2ccccc21 32803161 OWYWIDKDXKPTQJ-INIZCTEOSA-N 379.481 3.953 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC)cc1 4860543 WAKOGFJJNZNHLG-UHFFFAOYSA-N 386.477 3.996 0 40 GHAB CC(C)(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 32906486 JCLHCRKXGVUTJE-MRXNPFEDSA-N 383.423 3.875 0 40 GHAB COc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 6314857 IDHYBNWZUMTXRG-UHFFFAOYSA-N 393.814 3.888 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Br)cc2)cc1 7305777 HCDRRHSFJNFCRL-GFCCVEGCSA-N 384.295 3.887 0 40 GHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)c2ccc(F)cc2)CC1=O 7881498 RAKKCIQVLWNYGH-SFHVURJKSA-N 397.446 3.730 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)c1 8709293 UMBARFSEGNLFEW-UHFFFAOYSA-N 385.537 3.889 0 40 GHAB O=C(NCc1ncc(-c2ccccc2)o1)N1CCO[C@@H](c2ccc(F)cc2)C1 47041746 RZWUSUMOSLZQSL-LJQANCHMSA-N 381.407 3.764 0 40 GHAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccc2c(c1)OCO2 8704487 ZSGNLPWQVITQEV-UHFFFAOYSA-N 384.819 3.973 0 40 GHAB Cc1nn(-c2ccc(C(=O)NCCc3cn4ccccc4n3)cc2)c(C)c1Cl 12577912 VPPDROKWUYMJEM-UHFFFAOYSA-N 393.878 3.763 0 40 GHAB Cc1nc(-c2c[nH]c(C(=O)NCc3cccc(Cn4ccnc4)c3)c2)cs1 24749584 VYUBHYRODODEMF-UHFFFAOYSA-N 377.473 3.621 0 40 GHAB O=C(Nc1nc2c(F)cc(F)cc2s1)[C@@H]1CC(=O)N(c2ccccc2F)C1 24843129 LRIXXUUEBFJEMN-SECBINFHSA-N 391.374 3.705 0 40 GHAB COc1ccc(-c2cc3ccc(OCC(=O)OC(C)C)cc3oc2=O)cc1OC 1317719 QEWXLJGOVUFSSE-UHFFFAOYSA-N 398.411 3.808 0 40 GHAB biogenic O=C(Nc1ccccc1N1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 12521942 ITSLSXKNTKURBU-UHFFFAOYSA-N 395.478 3.917 0 40 GHAB COc1cc(OC)c2[nH]c(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cc2c1 43730480 RBSYYXXFLJUPLF-LJQANCHMSA-N 384.407 3.538 0 40 GHAB C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)c1cccc(Cl)c1 26266934 OKJKFTBDXFSMCW-ZDUSSCGKSA-N 387.892 3.831 0 40 GHAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 102680778 XOLVWCSAOKQGPM-IUHNQTRMSA-N 386.234 3.953 0 40 GHAB CSc1nc2ccsc2c(=O)n1CC(=O)Nc1ccc(F)c(Cl)c1 57505031 IOTVDOFKRGLSMU-UHFFFAOYSA-N 383.857 3.611 0 40 GHAB Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)cc1 102139544 UAFQWEXSJXVBLA-HJEMKOJISA-N 399.446 3.772 0 40 GHAB O=C(NCc1nnc2n1CCCCC2)c1ccc(-c2nc3ccccc3s2)o1 57606637 BHYLDRRSMRYSBN-UHFFFAOYSA-N 393.472 3.804 0 40 GHAB CCOC(=O)c1c(C)[nH]c2ccc(OC(=O)[C@H](C)c3c(C)nn(C)c3C)cc12 57742364 JLGZCDYGPIIVJW-LLVKDONJSA-N 383.448 3.712 0 40 GHAB CCOC(=O)c1c(C)[nH]c2ccc(OC(=O)[C@@H](C)c3c(C)nn(C)c3C)cc12 57742358 JLGZCDYGPIIVJW-NSHDSACASA-N 383.448 3.712 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 57767322 LEVAYFZKXDKJRO-UHFFFAOYSA-N 385.407 3.771 0 40 GHAB O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(-n2cccc2)cc1 12635316 SHDYYVRZEOVQJT-UHFFFAOYSA-N 388.471 3.904 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 20111234 XQQSFZCCVLDHKQ-GJZGRUSLSA-N 375.490 3.768 0 40 GHAB O=C(NCc1cccs1)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 3366740 NDHXTQRIQGPBPB-HXUWFJFHSA-N 376.481 3.632 0 40 GHAB O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1nnsc1Cl 59017138 HQPRCIHZJQKUBZ-MRXNPFEDSA-N 398.875 3.897 0 40 GHAB Cc1ccc(CN2CCN(C(=O)c3cc(C4CC4)nc4onc(C)c34)CC2)cc1 36613713 IATPPRDERIXLHO-UHFFFAOYSA-N 390.487 3.675 0 40 GHAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2ccc(F)cc2)o1 28872699 HPUXEOFJLZKVOC-FQEVSTJZSA-N 394.446 3.889 0 40 GHAB COc1ccc([C@@H]2CCCN2c2ccc3nnc(C(F)(F)F)n3n2)c(OC)c1 12871892 OPCLUGXKYRPHEQ-ZDUSSCGKSA-N 393.369 3.502 0 40 GHAB Cn1c(=O)c2ccccc2n2c(CNc3ccc(SC(F)F)cc3)nnc12 11618229 GDYNLEAQALGKEZ-UHFFFAOYSA-N 387.415 3.508 0 40 GHAB O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3598468 IELMLCGOGCHAFE-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB Cc1cccc(NC(=O)CN(C)C(=O)Cc2csc(-c3ccco3)n2)c1C 12918861 AQSVIHTXCKDAOV-UHFFFAOYSA-N 383.473 3.660 0 40 GHAB CCn1c(Sc2nc(C)nc3scc(-c4cccs4)c23)n[nH]c1=O 4198376 KDEMIOZWVOAGJT-UHFFFAOYSA-N 375.504 3.784 0 40 GHAB CCN1CCN(Cc2ccccc2CNC(=O)N[C@H](C)c2cccc(F)c2)CC1 49796777 PEWOBLFMZYHGDH-GOSISDBHSA-N 398.526 3.524 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c(C)c1 13944896 FBGDYUUDRYOEIO-KRWDZBQOSA-N 393.462 3.954 0 40 GHAB COc1ccc(C)cc1NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O 5278956 IIPJMCGRWNMKMF-UHFFFAOYSA-N 383.835 3.764 0 40 GHAB O=C(NC1CCC(O)CC1)c1cn(Cc2ccccc2)nc1-c1cccs1 9056587 VVAICWAYLBECIN-UHFFFAOYSA-N 381.501 3.693 0 40 GHAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)c(OC)c3)s2)cc1 9088164 MNYVHOICGWPTQF-UHFFFAOYSA-N 385.445 3.873 0 40 GHAB CCN(CC)[C@H](CNc1nn2c(=O)cc(C)nc2s1)c1ccccc1Cl 14246803 OKFLFJKUQWFQCX-OAHLLOKOSA-N 391.928 3.608 0 40 GHAB Cc1c(CC(=O)O)c(-c2ccc3c(c2)OCCCO3)nc2cc3c(cc12)OCO3 19413914 RSACMECDPKMRTC-UHFFFAOYSA-N 393.395 3.727 0 40 GHAB O=C(/C=C/c1cccc(F)c1)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 5483175 LGSKRTMXZYRCDB-SNAWJCMRSA-N 398.747 3.870 0 40 GHAB COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]21 5535015 GWEKWJOSBYDYDP-YJVUYORZSA-N 398.499 3.913 0 40 GHAB CC(C)[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 6657462 QPIHEMXOROXLJE-LJQANCHMSA-N 379.464 3.588 0 40 GHAB COc1ccc(Nc2c(Cc3ccccc3)c(C)nc3ncnn23)c(OC)c1 6673049 WTUWIMJWMCHSLK-UHFFFAOYSA-N 375.432 3.784 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)COc1ccc(Cl)cc1Cl 5655788 GMBYKBDBWAAVJJ-UHFFFAOYSA-N 398.242 3.953 0 40 GHAB CC(C)(C)c1nnc2sc(SCCOc3ccccc3Cl)nn2c1=O 6787683 GEENLVUPITYHHU-UHFFFAOYSA-N 396.925 3.668 0 40 GHAB Cc1ccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)c1 5750462 FFDYCBRWEQXIAI-UHFFFAOYSA-N 382.485 3.861 0 40 GHAB CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)N3CCC[C@@H](C)C3)cc2)cc1 4827707 CVVYMZZOCZWHLU-MRXNPFEDSA-N 395.455 3.694 0 40 GHAB C[C@H](CC(=O)[C@H]1CC(c2ccccc2)=NO1)C(=O)[C@@H]1CC(c2ccccc2)=NO1 4826608 MHGINERDKHNSHR-RTOPAQNCSA-N 390.439 3.537 0 40 GHAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc21 15867511 CFIAPBRNRKCRIJ-UHFFFAOYSA-N 377.853 3.539 0 40 GHAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cccc(C(=O)NC)c2)CC1=O 7778018 MUPXCSJEPAXHHU-WBVHZDCISA-N 393.487 3.551 0 40 GHAB Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12 95367678 BODWICVXPMYDRA-UHFFFAOYSA-N 377.400 3.788 0 40 GHAB COc1ccc(C(=O)Oc2ccccc2/C=C2\N[C@H]3CCCCCN3C2=O)cc1 27525743 ICWKZBQBTTXPMD-OHUBLEDJSA-N 392.455 3.587 0 40 GHAB COCc1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)no1 95962333 PSTBJTZTUOMXSQ-UHFFFAOYSA-N 395.444 3.597 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 9990152 BJAMJUGARFBHMX-FPYGCLRLSA-N 395.430 3.732 0 40 GHAB Fc1cccc(CN2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)c1 306128772 HKESCAGTCSACRO-UHFFFAOYSA-N 388.450 3.865 0 40 GHAB O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)OCCO2 408617659 AZBPFTBOCDCPNO-UHFFFAOYSA-N 397.481 3.708 0 40 GHAB COc1cccc(-c2noc(Cc3nnc(-c4ccc(C)c(F)c4)o3)n2)c1OC 65185536 FCSIWEGDWIVUEW-UHFFFAOYSA-N 396.378 3.842 0 40 GHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)cc(C)cc2C)C1=O 409234016 VMEFLPFJCVEZHN-UDWIEESQSA-N 391.471 3.706 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C 38755701 QSDDOYIOHHAARN-FQEVSTJZSA-N 384.476 3.877 0 40 GHAB COc1cccc(C(=O)NC2CCN(C(=S)Nc3cccc(C)c3C)CC2)c1 35311165 WMYQIZFBBJKRCW-UHFFFAOYSA-N 397.544 3.903 0 40 GHAB CC(C)Oc1cccc(CCCNC(=O)c2cccc(N3CCCC3=O)c2)c1 219213074 DIABBLVAWSJDJI-UHFFFAOYSA-N 380.488 3.963 0 40 GHAB CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(C)cc1 30755149 SSPSUKRFIXAVIV-KRWDZBQOSA-N 380.897 3.901 0 40 GHAB COc1cccc(CCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 39755578 WFMAWUUEYINKHA-UHFFFAOYSA-N 380.532 3.965 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635418 ODFNSPUYWXHDLS-QGZVFWFLSA-N 379.334 3.648 0 40 GHAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 36779221 KLVFVSLJRHQYDC-UHFFFAOYSA-N 378.476 3.719 0 40 GHAB Cc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@]2(C)C[C@@]32NC(=O)c3ccccc3O2)o1 72338773 BHBTVKSATJLZAR-BZHLCIIWSA-N 394.471 3.549 0 40 GHAB O=C(Nc1ccc(OCC(F)(F)F)nc1)N1CCN(c2ccc(F)cc2)CC1 48199443 YFYMQEBBJABUKK-UHFFFAOYSA-N 398.360 3.516 0 40 GHAB COc1cc(CNS(=O)(=O)c2ccc(OC)c(C)c2C)ccc1OC(C)C 222700822 SYNCRGHMVXAJSC-UHFFFAOYSA-N 393.505 3.586 0 40 GHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1C1CC1 223216826 YXRSYWQDIPPBOI-LEWJYISDSA-N 397.592 3.759 0 40 GHAB CCN(C(=O)CN(CC)[C@H]1CCOC(C)(C)C1)c1nc2ccccc2s1 585084868 KPFRSGQXXZGHOA-HNNXBMFYSA-N 375.538 3.929 0 40 GHAB COc1cccc2cc(C(=O)NC[C@@](O)(c3ccoc3)c3cccs3)oc12 253472946 QRYZAAFSMAGYBF-HXUWFJFHSA-N 383.425 3.762 0 40 GHAB Cc1noc([C@H]2CN(C(=O)Nc3cc(Cl)c(C)cc3Cl)C[C@@H](C)O2)n1 626456216 NPYRYKJHIDQMDG-YMTOWFKASA-N 385.251 3.987 0 40 GHAB C[C@@H]1CN(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CC[C@H]1C(=O)O 630555654 FXMMNOQYDPYZKT-ZWNOBZJWSA-N 395.431 3.587 0 40 GHAB Cc1cccc2c1N(C1CC1)CCN2C(=O)CCc1c(C)nc2ccnn2c1C 681358452 FTWRIWFDRVAPHX-UHFFFAOYSA-N 389.503 3.603 0 40 GHAB CC[C@H](C)[C@H](CO)NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 606440333 CZTIPEWRGAMLAT-VOJFVSQTSA-N 385.460 3.530 0 40 GHAB biogenic O=C(c1cc2ccccc2[nH]1)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1 575404958 GACSIDSNXKUSAD-HXUWFJFHSA-N 386.455 3.606 0 40 GHAB Cc1c(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)[nH]c2c1C(=O)CCC2 50661777 YDBRBFHMBLWLKW-KRWDZBQOSA-N 384.451 3.803 0 40 GHAB O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC(F)(F)CC1 684520656 YTYBWLGHIRUZNO-UHFFFAOYSA-N 377.357 3.575 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)Sc2nncn2-c2cccc(OC)c2)cc1 5894956 LDQJSLIXJAUEOF-CQSZACIVSA-N 382.489 3.958 0 40 GHAB CN(C)CCCN(Cc1ccccn1)Cc1cc2ccccc2nc1N(C)C 12147899 VLVVBBIQBOVOPX-UHFFFAOYSA-N 377.536 3.650 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(Cl)cc1Cl 13583214 ZVAIOUUNOTYDHK-UHFFFAOYSA-N 387.288 3.804 0 40 GHAB CCOC(=O)CCc1c(-c2ccccc2)nn(-c2nc3ccccc3[nH]2)c1O 13611272 PGIFOXRCAAZPGN-UHFFFAOYSA-N 376.416 3.617 0 40 GHAB COc1ccccc1-c1nn2c(-c3cncc(Br)c3)nnc2s1 13721030 VTHFLUWEWJAPBP-UHFFFAOYSA-N 388.250 3.686 0 40 GHAB CC(=O)c1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1 17077632 DOUMANHLGBMNAV-VMPITWQZSA-N 379.529 3.917 0 40 GHAB COc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccc(C)cn2)c(OC)c1 19215712 VORCYJXEDRDUQI-LIMIJEPZSA-N 382.504 3.527 0 40 GHAB COc1ccc([C@H]2CN(Cc3cccc(C)c3)[C@@H]3CCCN(C(C)=O)[C@H]23)cc1 19235079 SBTPYEDBKUMJKL-WXFUMESZSA-N 378.516 3.983 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H](c2nnc(-c3cccs3)o2)C1 19344865 GOQDDTOPVIUWNG-NSHDSACASA-N 395.893 3.630 0 40 GHAB CCc1n[nH]c(C(=O)N2CCCC[C@@H]2c2nn(C)cc2-c2onc(C)c2C)c1C 19520947 WCAAVWDAABUWCW-QGZVFWFLSA-N 396.495 3.653 0 40 GHAB CCc1oc2ccccc2c1CN1C[C@@H]2CCC[C@H](C1)C2(O)c1nccn1C 19521351 WAJVHZRJDLSQMP-NWMVZANLSA-N 379.504 3.848 0 40 GHAB COc1ccc(CN2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c(F)c1 19551769 QCLHTFVPTCGQQD-ZDUSSCGKSA-N 391.397 3.589 0 40 GHAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2)cc1F 19559571 FSKPPTXYDLHLPV-LJQANCHMSA-N 394.450 3.916 0 40 GHAB COc1cccc(N2CCN(C(=O)/C=C/c3cc(C)n(C4CC4)c3C)CC2)c1 7220123 PURJOUWFIUQPKS-JXMROGBWSA-N 379.504 3.810 0 40 GHAB O=C(Cc1cccs1)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1 225630677 QKBPKHXDXXGJDG-NRFANRHFSA-N 398.572 3.963 0 40 GHAB CC(=O)N1CCCCCCCN(CC(=O)NC2CCCC2)Cc2ccccc21 643575151 CUJCLYXXIBCURF-UHFFFAOYSA-N 385.552 3.864 0 40 GHAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)CSc3ccccc3C)ccc21 21760663 ZCTHHHYMWUOYHE-HNNXBMFYSA-N 397.496 3.811 0 40 GHAB COc1ccccc1[C@@H]1[C@@H](C(=O)N(C)OC)CCC(=O)N1c1ccc(C)cc1 36037340 LJJHVFUZZVXSLD-GHTZIAJQSA-N 382.460 3.508 0 40 GHAB CN1CCN(Cc2ccc(Cl)cc2)C[C@@H](Cc2ccnc3cccnc23)C1 2037838686 WFPAXWKGRWMXLB-SFHVURJKSA-N 380.923 3.890 0 40 GHAB O=C(CC(F)(F)F)N1CCC2(CC1)Cc1ccccc1CN(CC1CC1)C2=O 1565552671 SAJJHWINZNBWLI-UHFFFAOYSA-N 394.437 3.543 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1 4288082 VRUSOANGISIASZ-UHFFFAOYSA-N 387.896 3.606 0 40 GHAB CC(C)C(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc21 5136589 AIOVXIWPECDHLU-UHFFFAOYSA-N 394.443 3.701 0 40 GHAB COc1ccc(NC(=O)CSc2nccn2Cc2ccccc2)c(OC)c1 7391560 MVWWYPRKHHVDHO-UHFFFAOYSA-N 383.473 3.679 0 40 GHAB Cc1[nH]c2ccccc2c1S(=O)(=O)CCNC(=O)Nc1ccc(Cl)cc1 8923833 YOATWWVAZLHGAA-UHFFFAOYSA-N 391.880 3.725 0 40 GHAB COc1cccc(C(=O)Nc2nnc(-c3ccc(Br)s3)o2)c1 11695439 SUYIISAZKIUOBP-UHFFFAOYSA-N 380.223 3.822 0 40 GHAB C[C@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1cccs1)N1CCOCC1 13878803 BVBLEVQRZNEENQ-SUMWQHHRSA-N 379.526 3.636 0 40 GHAB COc1ccccc1CCNC(=O)Cc1csc(Nc2ccc(F)cc2)n1 16850184 RWHFNFFYGIKNHW-UHFFFAOYSA-N 385.464 3.936 0 40 GHAB CCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(C)c(Cl)c3)ccc21 22732799 ZOHKLJJLKSORHY-UHFFFAOYSA-N 399.922 3.718 0 40 GHAB Cc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)c1C 22732438 KGHORRGZSLSSKK-MRXNPFEDSA-N 392.546 3.937 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CC[C@@H](Oc2ccncc2Cl)C1 575610215 FEEQWFIGXBODCK-CQSZACIVSA-N 386.814 3.558 0 40 GHAB O=C([C@H]1CCCN(c2ncc(Cl)cc2Cl)C1)N1CCC(F)(F)CC1 2298047638 XKMCMBVKNKZXMQ-NSHDSACASA-N 378.250 3.863 0 40 GHAB CCOC(=O)[C@@H](CC)Sc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2 2719790 JASIYLCIZIQSEO-OAHLLOKOSA-N 390.530 3.623 0 40 GHAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1cccc(NC(=O)c2cccs2)c1 20096619 ULDLKNLHMCYNKY-UHFFFAOYSA-N 382.397 3.657 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NC[C@H]4CCCO4)c(C)c3cc12 20427640 HLIYSILLOLNEIQ-OAHLLOKOSA-N 383.444 3.692 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccsc1 31983043 KVZALCXTQXXUNI-LJQANCHMSA-N 385.533 3.836 0 40 GHAB COC(=O)c1c(C)[nH]c(-c2ccccc2OC)c1[C@@H]1C(=O)Nc2ccccc21 32124088 ZKWVQIVRDLBXBY-GOSISDBHSA-N 376.412 3.869 0 40 GHAB biogenic CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N(C)Cc1ccc(Cl)s1 20911161 YNZDTTAWGYZKAZ-SFHVURJKSA-N 378.925 3.743 0 40 GHAB O=C1C[C@@H](N2CCc3c([nH]c4ccc(Cl)cc34)C2)C(=O)N1Cc1ccccc1 101625453 BWDDCUUGNHOPHA-HXUWFJFHSA-N 393.874 3.507 0 40 GHAB O=S(=O)(NCc1ccc(OC(F)F)cc1)c1ccc(Br)cc1 21178507 OWJHXKOANGZSMW-UHFFFAOYSA-N 392.221 3.529 0 40 GHAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cnn(Cc2cccc3ccccc23)c1 102023301 WBIAQXPKFLTJSW-AFMUBRCDSA-N 387.439 3.546 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2CC)cc1 886699 XUXYVQNFYITNHX-UHFFFAOYSA-N 398.488 3.800 0 40 GHAB COC[C@H](C)n1c(S[C@@H](C)C(=O)c2ccccc2)nc2ccccc2c1=O 12003150 BFBFXYJDLGNBBO-GJZGRUSLSA-N 382.485 3.967 0 40 GHAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C(C)C)cc1 3334764 CPXYGKYNNADCDO-UHFFFAOYSA-N 383.492 3.636 0 40 GHAB O=C(Oc1ccccc1Cl)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 102549966 WCXLMFRKQVALBF-LSOMNZGLSA-N 393.826 3.871 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3ccc(F)cc3)cc2c1 4132431 LBTTYQKTFYLWEL-UHFFFAOYSA-N 399.491 3.557 0 40 GHAB Cc1ccc(CC(=O)N2N=C(C(F)(F)F)C[C@]2(O)c2ccc(F)cc2)cc1 4893197 YWWZGRYPJFBVFB-SFHVURJKSA-N 380.341 3.673 0 40 GHAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O 6650288 SIJLDSOVRCZPBZ-UKTHLTGXSA-N 398.278 3.829 0 40 GHAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 6629519 OYUISVPFMGMRFU-GZTJUZNOSA-N 383.473 3.639 0 40 GHAB O=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1nn2cccnc2c1Cl 2794514 DESJRBBSKFPLRX-UHFFFAOYSA-N 387.230 3.533 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)sc2C)c1 7987597 BMAHRWCFKKXKFF-UHFFFAOYSA-N 396.534 3.656 0 40 GHAB CCN(C(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccccc1 102994263 NQHBZRVTDRYOET-ZCLUNYJNSA-N 386.451 3.665 0 40 GHAB O=C(CCCNC(=O)c1cc2ccccc2[nH]1)Nc1nc2ccccc2s1 12389856 SUMIKPVPYLCVIX-UHFFFAOYSA-N 378.457 3.926 0 40 GHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)cc1)c1cccc(Cl)c1 8558289 QLVPXJURBHLQKQ-UHFFFAOYSA-N 384.860 3.664 0 40 GHAB COc1ccc(-c2nnc3sc(CCc4ccc(OC)c(OC)c4)nn23)cc1 12406717 BUMBJSHTEOHJQK-UHFFFAOYSA-N 396.472 3.664 0 40 GHAB O=C(Nc1ccc(OC2CCCC2)cc1)c1c[nH]n2c1nc(=O)c1ccccc12 103467820 NQIXYWQKVLZFQN-UHFFFAOYSA-N 388.427 3.750 0 40 GHAB COc1ccc(CCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 9063205 DEANZBCSKLCZOX-UHFFFAOYSA-N 386.923 3.920 0 40 GHAB O=C(CSc1nc2ccccc2s1)OCC(=O)c1ccc2c(c1)OCO2 9515638 NMYKOKXFEMXNDW-UHFFFAOYSA-N 387.438 3.543 0 40 GHAB O=C(CSc1nnc(N2CCCCC2)n1Cc1ccco1)c1ccccc1 8704526 HGEXOHHXHAMRAP-UHFFFAOYSA-N 382.489 3.885 0 40 GHAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCCCC1 876351 IUDXOOZZKXCEES-UHFFFAOYSA-N 394.928 3.635 0 40 GHAB Cc1cccnc1NC(=O)c1sc2nc(Cc3ccccc3)[nH]c(=O)c2c1C 12554421 ZHEDVJBKJOYMBI-UHFFFAOYSA-N 390.468 3.840 0 40 GHAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nc(-c3ccc(Cl)s3)cs1)CS2 23681849 VTWZTGIMMBIBDE-VFZGTOFNSA-N 399.950 3.918 0 40 GHAB Oc1nc(CN2CCN(c3ccccc3F)CC2)nc2c1oc1ccccc12 23697812 OCSUANKUURIXHL-UHFFFAOYSA-N 378.407 3.543 0 40 GHAB Cc1ccc2oc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc(=O)c2c1 23739361 ICJFSIMMJDITJK-IBGZPJMESA-N 376.456 3.668 0 40 GHAB COC(=O)c1cccc2c1CCCN2C(=O)CSc1nc2ccccc2o1 95348759 HEDOTGDZUOMLCS-UHFFFAOYSA-N 382.441 3.686 0 40 GHAB CC(=O)N(C(C)=O)c1ncnc2c1c(-c1ccc(Cl)cc1)nn2C(C)(C)C 1404532 JRMNCHPFMIBHKT-UHFFFAOYSA-N 385.855 3.801 0 40 GHAB Cc1cc2oc(=O)cc(CN3CCN(c4nccs4)CC3)c2cc1Cl 57681195 RBDQDPWTOSOEEZ-UHFFFAOYSA-N 375.881 3.534 0 40 GHAB CCOc1ccc2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)sc2c1 3218451 LFLYJKMIZWJBKK-UHFFFAOYSA-N 388.445 3.973 0 40 GHAB CCCN1CC[C@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 56986665 KYEBCVNPTHLOJV-CYBMUJFWSA-N 381.307 3.641 0 40 GHAB CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C)c1)c1ccc(C)cc1 26919526 XJLLZIDRJCKZBO-GOSISDBHSA-N 395.908 3.930 0 40 GHAB C[C@H](NC(=O)C1CCN(C(=O)c2ccoc2)CC1)C12CC3CC(CC(C3)C1)C2 44667437 QOKVUSWJAOEGKT-SCUMNGBJSA-N 384.520 3.853 0 40 GHAB CN(C)[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1cccs1 27677279 SCWDTFGBFAZEFY-CYBMUJFWSA-N 376.865 3.541 0 40 GHAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCSc2ccccc21 10224630 OWOAEUVCCPPQLB-WOJBJXKFSA-N 393.512 3.568 0 40 GHAB CC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 3329876 BLCXZWFEOHVEQQ-NSHDSACASA-N 394.349 3.848 0 40 GHAB COc1cc(N[C@H](C)C2=N[C@@H]3SC(C)=C(C)[C@H]3C(=O)N2)c(OC)cc1Cl 57369823 FGBBVJYNQHQRIF-AHRODOEDSA-N 395.912 3.669 0 40 GHAB CCOC(=O)c1sc2nc(CNc3ccc(Cl)cc3)[nH]c(=O)c2c1C 8715517 FKVLBDCJYWTNGN-UHFFFAOYSA-N 377.853 3.735 0 40 GHAB O=C(c1snnc1-c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 44901892 WOHINLMQXQUILR-JXMROGBWSA-N 390.512 3.676 0 40 GHAB COc1ccc([C@H](NC(=O)Cc2ccc(N3CCCC3=O)cc2)C(C)C)cc1 12788361 JPKQHSRLXPQMEY-HSZRJFAPSA-N 380.488 3.878 0 40 GHAB Cc1ccc(Oc2ccc(NC(=O)CNC(=O)COc3ccccc3)cc2)cc1 10632702 WUHROTXQEJSVAA-UHFFFAOYSA-N 390.439 3.921 0 40 GHAB O=c1c2sccc2ncn1C[C@H](O)COc1ccc(-c2ccccc2)cc1 10768481 AGZYNDBQNRZTCB-KRWDZBQOSA-N 378.453 3.565 0 40 GHAB CC(C)[C@@H](OC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)N1CCOCC1 58712385 ZBYSXOAYXRMLFX-MRXNPFEDSA-N 399.274 3.515 0 40 GHAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccn3)n2C)c(Cl)c1 2382245 WWZCHBCDFUWTGK-UHFFFAOYSA-N 387.896 3.878 0 40 GHAB COc1ccc(C2(C(=O)N3CCCN(CC(F)(F)F)CC3)CCCC2)cc1 58874475 ZHWSEYVLEXBDEI-UHFFFAOYSA-N 384.442 3.604 0 40 GHAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccccc3)cc2)C1=O 18206527 GOGLLQQCZLYIBA-DEOSSOPVSA-N 399.450 3.856 0 40 GHAB COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1COc1ccccc1Cl 2472498 JCMVSVKBDLONRR-RHSMWYFYSA-N 379.865 3.716 0 40 GHAB Cc1ccc2nc(C)c(C(=O)N3CCC[C@H](C(=O)Nc4nccs4)C3)cc2c1 48363813 IBUBDXGEBJWNKX-HNNXBMFYSA-N 394.500 3.799 0 40 GHAB Cc1cccc(OCCC(=O)Nc2cc3c(cc2Br)OCCO3)c1 3458580 AODLUZSKOFXOSY-UHFFFAOYSA-N 392.249 3.936 0 40 GHAB Cc1nc(-c2ccc(CCNC(=O)[C@@H]3Cc4ccccc4C(=O)O3)cc2)cs1 12903350 CQRJYRUDPVLBPQ-FQEVSTJZSA-N 392.480 3.559 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3ccc4c(c3)OCC(=O)N4)sc2C)cc1 13011692 VKZIDEQROKXNDE-UHFFFAOYSA-N 395.440 3.710 0 40 GHAB COc1ccc(Cn2nnnc2SCC(=O)c2cccc3ccccc23)cc1 8882707 VKUXIWBRZCMWNT-UHFFFAOYSA-N 390.468 3.858 0 40 GHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(OC[C@H]2CCCO2)cc1 19358463 WLOQPCJAEXCSIC-OAHLLOKOSA-N 377.343 3.818 0 40 GHAB Cc1occc1-c1nnc(S[C@H](C(=O)NCc2ccccc2)C(C)C)n1C 9048605 CQNWIDKQPNKKQP-KRWDZBQOSA-N 384.505 3.817 0 40 GHAB C[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)NCc1ccccc1 4220924 ASQCBQVUIIOLPQ-MRXNPFEDSA-N 375.424 3.921 0 40 GHAB CCOC(=O)C[C@H](NS(=O)(=O)c1cc(C)c(C)cc1C)c1ccc(C)cc1 4594066 TZZWTKHCGGTLTI-IBGZPJMESA-N 389.517 3.893 0 40 GHAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1csc(-c2ccsc2)n1 14245123 HYAJFCNCZALWBB-IBGZPJMESA-N 397.481 3.601 0 40 GHAB O=C(NCCc1ccc2c(c1)OCCO2)c1cc(Br)ccc1Cl 6509525 LIDZWMCAXBILBC-UHFFFAOYSA-N 396.668 3.846 0 40 GHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 4601819 INEWBVUNLSLRNH-CTEACUEPSA-N 399.512 3.818 0 40 GHAB O=C(CSc1nn2c(=O)c3ccccc3nc2s1)c1ccc(Cl)cc1 4603033 LLGNXHVDXQLAJU-UHFFFAOYSA-N 387.873 3.933 0 40 GHAB NC(=O)c1c(NC(=O)N2CCC(Cc3ccccc3)CC2)sc2c1CCC2 6669779 RAHZRJNXCDMHCO-UHFFFAOYSA-N 383.517 3.822 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2Cl)c1C 5692311 RVQJNUDRSDEROC-GFCCVEGCSA-N 377.824 3.890 0 40 GHAB COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 4988769 ZEBKIWPPYDAPIY-MGPUTAFESA-N 384.428 3.681 0 40 GHAB CC(=O)Nc1nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2s1 15861923 IIMSXNVKIYZHPI-UHFFFAOYSA-N 379.397 3.613 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)NCc2ccccc2Cl)c(OC)c1 7719590 YCCAXQUNHAJKJU-LJQANCHMSA-N 388.895 3.811 0 40 GHAB C[C@@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 7875618 RYUPSGJLIZITQG-LLVKDONJSA-N 386.542 3.944 0 40 GHAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)CCC3)cc1 7801574 OLNQHHMEFRUKKY-UHFFFAOYSA-N 393.483 3.629 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)cc1 7848321 NZFDGJZMMKGEHI-ZDUSSCGKSA-N 387.867 3.915 0 40 GHAB O=C(C[C@H]1CCCO1)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 68748495 ODCFMHXPPMWIGY-GOSISDBHSA-N 384.863 3.937 0 40 GHAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)c1C 8180777 SDVTWHKRFANSQH-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB COc1ccccc1NC(=O)C1CCN(Cc2cnc3c(C)cccn23)CC1 91918756 PGJOAXBEJLJWDX-UHFFFAOYSA-N 378.476 3.502 0 40 GHAB CCc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)OC)CCC4)cc(=O)c2c1 9764317 JRNRHBOOJVOQEP-UHFFFAOYSA-N 397.452 3.945 0 40 GHAB CCCCC/C(=C\c1ccccc1)CNC1CCN(CC(=O)NC2CC2)CC1 75092257 HAGBRHHZPRSZBI-HEHNFIMWSA-N 383.580 3.983 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cn(CC)c3ccc(C)cc3c2=O)cc1 408713362 VJBCHCCLCFGEDY-UHFFFAOYSA-N 378.428 3.759 0 40 GHAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(F)c3)c2c1=O 65113374 DNMSABWKZZGMMP-UHFFFAOYSA-N 390.418 3.663 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2c(C)cccc2CC)ccc1OC 408697927 MWGDXRGFOKJTPY-UHFFFAOYSA-N 376.478 3.715 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2CN(Cc3ccoc3)C[C@@H]21 306134767 NXTOUFDGIQVKTC-FPOVZHCZSA-N 383.444 3.841 0 40 GHAB CN1CN(c2ccccc2)C2(CCN(Cc3nc4ccccc4s3)CC2)C1=O 31860713 KSCWQKPVPYSSJQ-UHFFFAOYSA-N 392.528 3.567 0 40 GHAB Cc1cccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1C 33795472 MGGINWWWPOOQTQ-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Nc2ccccn2)n1 72375202 HQEKILZUTRUESA-GOSISDBHSA-N 398.463 3.885 0 40 GHAB COc1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3C)no2)cc1OC 35316283 JOZZKPTVXLBRFY-UHFFFAOYSA-N 387.823 3.897 0 40 GHAB Cc1ccc(C)c2sc(N(C)CC(=O)NCc3c(F)cccc3F)nc12 70973930 RDXSRHHZZYLMTB-UHFFFAOYSA-N 375.444 3.944 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 33572056 FAIYANDMGAQEEF-WIYYLYMNSA-N 396.487 3.700 0 40 GHAB COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)C4CCN(C)CC4)C3)n2)cc1 72350385 UVZGSISLJQKLJC-HXUWFJFHSA-N 393.531 3.805 0 40 GHAB CCCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 30752297 YVVSDZILJONFAO-UHFFFAOYSA-N 380.897 3.979 0 40 GHAB CCOC[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 218571776 WSBPFZSUIWBSBP-UFYCRDLUSA-N 393.936 3.570 0 40 GHAB CCOc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 44899895 VCBBGJUHNDJAPH-CQSZACIVSA-N 375.490 3.900 0 40 GHAB COc1ccc(-c2ccc(=O)n(CC(=O)c3c(C)n(C)c4ccccc34)n2)cc1 40266657 UNPHJFGLRUYCFD-UHFFFAOYSA-N 387.439 3.602 0 40 GHAB CCC(=O)N(Cc1cccc(OC)c1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 224014243 MMSGJUNFJJUXBM-XMSQKQJNSA-N 396.531 3.960 0 40 GHAB Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1N(C)S(C)(=O)=O 222462761 KQCOFONOWNTCPJ-LJQANCHMSA-N 388.533 3.908 0 40 GHAB CC1(C)[C@@H]2CC=C(COC[C@@H](O)CN3CCO[C@@H](c4ccc(F)cc4)C3)[C@H]1C2 195528969 HCTQBABQZRDQQK-FVTFTPSCSA-N 389.511 3.569 0 40 GHAB COCc1cccc(CNC(=O)[C@H](C)Oc2ccc(C)cc2Br)c1 44573961 XNNBUDOWJWXNBO-AWEZNQCLSA-N 392.293 3.988 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(-c4csc(C)n4)c3)nn2)n1 77197132 WRPKNOYOOJTUBV-UHFFFAOYSA-N 390.472 3.963 0 40 GHAB Cc1ccccc1CN(c1ccc(F)cc1)S(=O)(=O)c1cccn2cnnc12 49404899 GHUXUUZWYKUHNE-UHFFFAOYSA-N 396.447 3.572 0 40 GHAB Cc1ccc([C@@H](NC(=O)CSc2nc3nc(C)c(C)c(C)n3n2)C2CC2)cc1 40119189 YQCKJGWRRGRZGF-LJQANCHMSA-N 395.532 3.718 0 40 GHAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCOc1ccccc1Cl 223828427 TZWJOKKVSASNJC-UHFFFAOYSA-N 380.831 3.649 0 40 GHAB C[C@H](O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C 98091494 LMRQPSBMLDCJGN-VBKZILBWSA-N 397.471 3.616 0 40 GHAB CC1(C)[C@@H](C(=O)N2CCNC(=O)CC2)[C@@H]1/C=C(\Cl)c1ccc(Cl)cc1 585138612 NOQHLFZPRMNXQY-HQGHZWMDSA-N 381.303 3.540 0 40 GHAB Cc1cnc(C(=O)N2CCCC[C@@H]2c2cc(C)nc(-c3c(C)noc3C)n2)cn1 257226622 FLJUIADWIGUWBU-GOSISDBHSA-N 392.463 3.523 0 40 GHAB C[C@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccncc2)CC1 257310635 UFYAFKDMWKPDSR-PBWTXFEYSA-N 393.535 3.651 0 40 GHAB CNC(=O)[C@]1(c2cccc(C)n2)CCCN1Cc1ccccc1N1CCCCC1 257303379 SGZDWKYRGKQZGD-XMMPIXPASA-N 392.547 3.618 0 40 GHAB COC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC(=O)c1ccc(F)cc1 41292226 BXGBNMHJAJQENW-UHFFFAOYSA-N 384.359 3.565 0 40 GHAB biogenic Cc1ccc([C@H](CNC(=O)c2cc(C(F)(F)F)cnc2O)N2CCCC2)cc1 635454504 XBGDAQBOYSGGCJ-KRWDZBQOSA-N 393.409 3.681 0 40 GHAB C[C@H](NC(=O)c1ccc(C2CC2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 667827698 ZJUDIUMGBJNHJZ-INIZCTEOSA-N 377.488 3.921 0 40 GHAB CC[C@H](Nc1nc(-c2ccncc2)nc2c1CCNC2)c1ccc(OC)cc1 67650733 MWMGGGOGIYQISJ-IBGZPJMESA-N 375.476 3.756 0 40 GHAB CC(C)(C)c1nnc2ccc(NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)nn12 681379330 NGQBFBGHZWVZIC-ZDUSSCGKSA-N 386.450 3.638 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)N[C@H](c1ccsc1)c1cccs1 390826921 RNFRPWAFPQCLBD-CYBMUJFWSA-N 399.540 3.726 0 40 GHAB Cc1ncsc1CN1CCC2(CC1)OCC[C@@H]2CCOCc1cccnc1 585103959 FCDGUGNOKUFNOA-IBGZPJMESA-N 387.549 3.825 0 40 GHAB CCOc1ccccc1C(=O)N1CCC[C@@]2(CCN2Cc2c(C)noc2C)C1 585102069 QDJVVBAPBBLWDM-JOCHJYFZSA-N 383.492 3.571 0 40 GHAB COc1ccccc1Oc1ccc(CNC(=O)N2CCC(O)(C3CC3)CC2)cc1 585098124 LQNFFIDDVAJENZ-UHFFFAOYSA-N 396.487 3.934 0 40 GHAB COc1ccccc1CN1CCC(c2cc(O)nc(-c3ccncc3)n2)CC1 72392695 GRYRBNSABAFBHG-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB CN(CC[S@](=O)c1ccccc1)CC1CCN(C(=O)Nc2ccccc2)CC1 89346419 NWHZCAHXAPWAHK-MUUNZHRXSA-N 399.560 3.670 0 40 GHAB CCc1nccn1CCC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615153666 DUHQMEDQRLWQQR-XLIONFOSSA-N 398.526 3.881 0 40 GHAB O=C(NCC(=O)N1CCC(CCc2ccccc2)CC1)c1ccc(Cl)cc1 12731184 QQIAEVIRSNPCQC-UHFFFAOYSA-N 384.907 3.941 0 40 GHAB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C)c1 14091721 WQVLPSWCSQQKDI-UHFFFAOYSA-N 396.516 3.937 0 40 GHAB CCn1cc(-c2cc(C(=O)NCCc3c(C)[nH]c4ccc(C)cc34)on2)c(C)n1 19524721 DNINBOMSZFXDKF-UHFFFAOYSA-N 391.475 3.937 0 40 GHAB C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)Cc1ccc(F)cc1 19574251 GAGBJTIVRMCGDA-LBPRGKRZSA-N 379.357 3.942 0 40 GHAB O=C(N[C@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 19799970 WNICOZKZQYTYHJ-AAEUAGOBSA-N 386.106 3.535 0 40 GHAB Cc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1C 19946769 DIWNGWSCBVBZFA-UHFFFAOYSA-N 386.517 3.558 0 40 GHAB O=C(CC1CCCCC1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 12181903 BGGCJTMGVQVFMC-OWCLPIDISA-N 399.461 3.775 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CCC(N(C)c2cc(C)ncn2)CC1 1888879069 NZYNGCNHSZDNLT-UHFFFAOYSA-N 389.887 3.580 0 40 GHAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccc(C(F)(F)F)cc1 5075955 IOQBOMKFPGPSJK-UHFFFAOYSA-N 398.406 3.806 0 40 GHAB O=C(NC[C@@H]1CN(c2ccc(F)cc2)C(=O)O1)Nc1cccc(C(F)(F)F)c1 8839378 WAWHMHBZRYTAHJ-OAHLLOKOSA-N 397.328 3.991 0 40 GHAB Cc1ccc(-c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nn2)cc1 11695238 WYDAREBWIPEWDF-UHFFFAOYSA-N 376.435 3.554 0 40 GHAB CCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 17316440 DFQJSZCGZRYWAN-UHFFFAOYSA-N 378.881 3.695 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3cc(C)ccc3C)ccc21 35588154 MFHDQAJRBPSQDP-UHFFFAOYSA-N 386.561 3.987 0 40 GHAB COc1cccc(CC(=O)NCC2CCN(Cc3ccccc3SC)CC2)c1 43991224 BZDDIFQZDOGJKE-UHFFFAOYSA-N 398.572 3.988 0 40 GHAB Cc1nc2ccccc2n1[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 585149226 QDXNAEWJCFRMCJ-IBGZPJMESA-N 395.528 3.859 0 40 GHAB O=C(NCc1ccc(Cl)cc1)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618254905 GPBTXJAZSUZAHE-MRXNPFEDSA-N 382.851 3.646 0 40 GHAB CCCCOc1ccc(-c2nc3s/c(=C\c4cccs4)c(=O)n3n2)cc1 1799769 VNTHPNIGAPAXFN-VBKFSLOCSA-N 383.498 3.606 0 40 GHAB CCOc1cccc2c1OCC(C(=O)Nc1cccc(C(=O)NC(C)C)c1)=C2 40133698 GAOXXTFDEUGUDH-UHFFFAOYSA-N 380.444 3.638 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2cnc(-c3ccccc3)s2)N2CCOCC2)o1 40108640 PZBITKRJXCSKIZ-QGZVFWFLSA-N 397.500 3.515 0 40 GHAB O=C(Cc1csc(Cc2ccccc2)n1)N1CCO[C@H](c2ccccc2)C1 30860760 MEOFFGOMSFPVAG-FQEVSTJZSA-N 378.497 3.877 0 40 GHAB O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCCC1 20218735 JDACSCPSZNUHIB-UHFFFAOYSA-N 375.822 3.983 0 40 GHAB O=C1[C@H]2ON(Cc3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 100920577 HZMSYRZEXJWYIO-ZLNRFVROSA-N 398.462 3.729 0 40 GHAB C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC[C@@H]1c1cccs1 8185982 BZRACGCDWLJXBO-DGCLKSJQSA-N 389.546 3.561 0 40 GHAB COCc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 32672315 LCDWDLKNUXDKCZ-UHFFFAOYSA-N 382.441 3.752 0 40 GHAB Cc1nc(NC(=O)c2cc3cc(Br)ccc3oc2=O)sc1C 814822 OAMWSJRJGMCYLU-UHFFFAOYSA-N 379.235 3.881 0 40 GHAB CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(C)=O 976616 ZIDASROIYANVTP-UHFFFAOYSA-N 380.473 3.898 0 40 GHAB CSCC[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1nc2ccccc2[nH]1 2628788 GUHQABCSYSAAGY-SFHVURJKSA-N 382.489 3.746 0 40 GHAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1cccs1 32794772 VTFMLXAOAQIMOB-RYUDHWBXSA-N 393.306 3.741 0 40 GHAB CC(=O)c1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)c(F)c1 52686913 KMRQKQAPUGIVFS-UHFFFAOYSA-N 378.451 3.536 0 40 GHAB Cc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2ccco2)c1 4964640 GWCXVVFAUIINQQ-QGZVFWFLSA-N 398.488 3.742 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)C)ccc2Cl)cc1C 6235016 OTNHUDWRWSGJCK-UHFFFAOYSA-N 380.897 3.896 0 40 GHAB O=C(COc1ccc(Cl)cc1Br)NCCc1ccc(F)cc1 6435136 IVHLNWJBDDRBSW-UHFFFAOYSA-N 386.648 3.979 0 40 GHAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 32966741 RAFNPRMQXYRNEF-HXUWFJFHSA-N 391.471 3.791 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3C)CC2)cc1 6841742 BDJAUHNNNAVAEN-UHFFFAOYSA-N 386.517 3.651 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 6866374 BJSNQRIIAVZHGC-UHFFFAOYSA-N 392.908 3.688 0 40 GHAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cc2c(s1)CCC2 32983434 JTAMDNIQRXYXDK-UHFFFAOYSA-N 389.502 3.637 0 40 GHAB Cc1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 8049517 MWTUTGDGDQHIPL-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB COCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cccc(C)c2C)n1 8476626 WHUQXABSGVDQLS-UHFFFAOYSA-N 384.867 3.581 0 40 GHAB C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc2ccccc2c1 102876085 FIELINNQUIMLND-RYGJVYDSSA-N 378.472 3.582 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NC1CCCCC1 2970190 HLVSPIGBYKRULL-UHFFFAOYSA-N 397.500 3.579 0 40 GHAB CCOC(=O)c1cccc(NC(=O)c2cc(-c3ccc(OCC)cc3)[nH]n2)c1 51315451 VQEMSJAKCMUWKS-UHFFFAOYSA-N 379.416 3.904 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C)n2)c1 24748227 RFNPIFRTURAZRM-UHFFFAOYSA-N 395.484 3.858 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)Nc3cccc(Cn4ccnc4)c3)c2O1 25182764 LFUCYNVFBXVZPJ-UHFFFAOYSA-N 377.444 3.662 0 40 GHAB CC(C)[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)N1CCc2ccccc2C1 25537501 POFKZEILYRWJFY-QFIPXVFZSA-N 390.531 3.695 0 40 GHAB CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1cnn(CC)c1 43646202 UBPGHFXIPIGGTB-UHFFFAOYSA-N 396.495 3.623 0 40 GHAB O=C(NCCCc1nc2ccccc2[nH]1)c1cc(Cl)c2c(c1)OCCCO2 28940990 KMFSWIKCESMFMN-UHFFFAOYSA-N 385.851 3.740 0 40 GHAB COCc1nn2c(O)cc(Cc3ccccc3F)nc2c1-c1ccc(OC)cc1 100776162 AWDQJORZWPQZEQ-UHFFFAOYSA-N 393.418 3.987 0 40 GHAB C[C@H](NC(=O)[C@H](Cc1ccccc1)n1cnnn1)c1ccc(Cl)cc1Cl 25537570 RLERULFUZVGTEF-SJCJKPOMSA-N 390.274 3.641 0 40 GHAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 24705550 NSFDTEXKSUGKJN-QGZVFWFLSA-N 386.879 3.820 0 40 GHAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2nccs2)CC1 57463459 VWZHPIBGTOKVJA-LLVKDONJSA-N 385.320 3.599 0 40 GHAB Cc1cc(OCC(=O)N(C)Cc2ccccc2N2CCOCC2)ccc1Cl 12553906 PKQVOEBZAOXIKY-UHFFFAOYSA-N 388.895 3.522 0 40 GHAB Cc1nc(SCC(=O)N(C)[C@H](C)c2ccccc2)n(C[C@H]2CCCO2)c1C 12556699 BYEKJLVUXPQYPL-IEBWSBKVSA-N 387.549 3.991 0 40 GHAB Cc1c(C)c2ccc(OC(=O)CCNC(=O)OC(C)(C)C)c(C)c2oc1=O 2093832 HUZNOPJVVWALGY-UHFFFAOYSA-N 375.421 3.538 0 40 GHAB biogenic CSc1ncc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)n1-c1ccccc1 12575369 KZLRUKWPQSVBDB-UHFFFAOYSA-N 394.500 3.613 0 40 GHAB CCCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 20140904 GLZNTKRMYFXVCL-QFIPXVFZSA-N 396.583 3.903 0 40 GHAB COc1cc(C(=O)NCc2ccccc2Cn2cccn2)cc(Cl)c1OC 10234747 WRLKQTJHPBGYBX-UHFFFAOYSA-N 385.851 3.532 0 40 GHAB Cc1nn(CC(=O)N[C@H]2CCC(C)(C)c3ccccc32)c(=O)c2ccccc12 58213234 OSLSQIPTGOPVDM-FQEVSTJZSA-N 375.472 3.634 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(C)cc1 10326413 WRXDAGPLLIHEGH-CVEARBPZSA-N 386.517 3.663 0 40 GHAB Cc1cccc(N(Cc2ccc(C(=O)NC3CCCC3)cc2)S(C)(=O)=O)c1 10433878 DWYGRGGAEVLDOC-UHFFFAOYSA-N 386.517 3.634 0 40 GHAB COc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)cc1 3285831 YZGJDMWQNCUULF-SFTDATJTSA-N 392.499 3.707 0 40 GHAB Cc1cc(NC(=O)CCSc2cc(C(=O)NC3CC3)c3ccccc3n2)no1 10583333 WCASBFGGXOHFOK-UHFFFAOYSA-N 396.472 3.544 0 40 GHAB CCOc1cccc(-c2nnc3sc(-c4c(OC)cccc4OC)nn23)c1 2234368 GXCQRMRVFBJPRM-UHFFFAOYSA-N 382.445 3.936 0 40 GHAB C[C@]1(c2ccccc2Br)NC(=O)N(Cc2ccccc2F)C1=O 3346746 LSWNWVQZHHDXFY-QGZVFWFLSA-N 377.213 3.555 0 40 GHAB Cn1cc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)c2ccccc21 29252211 IMHWVWMDCUSZCE-UHFFFAOYSA-N 397.478 3.930 0 40 GHAB O=c1c2cc(-c3ccccc3)sc2ncn1C[C@@H]1COc2ccccc2O1 12796316 FKQUQPRFGDNQAP-OAHLLOKOSA-N 376.437 3.965 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(NCc3ccccc3)s2)cc1 3490891 ZGENOKWYXHOXLI-UHFFFAOYSA-N 386.502 3.890 0 40 GHAB CC(C)(C)C(=O)NCCCC(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 12920833 PHMOULFDXIDTIE-UHFFFAOYSA-N 395.475 3.893 0 40 GHAB O=C1C2=C(C(c3ccccc3)=NCCN2)[C@@H](c2ccccc2)N1c1ccccn1 26841134 IJEPQPAOUPTNGN-HSZRJFAPSA-N 380.451 3.516 0 40 GHAB COc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)ccc1C 13002692 KGPHGPZIIXBUFD-UHFFFAOYSA-N 383.473 3.702 0 40 GHAB CN(Cc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 8498850 KDQFSJRFYZCCDJ-UHFFFAOYSA-N 394.924 3.545 0 40 GHAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)C1 65565504 CXWWDQDSDTYLHN-HZPDHXFCSA-N 395.503 3.710 0 40 GHAB Cc1ccc(C)c(C(=O)C[C@@]2(O)C(=O)N(C)c3ccc(Br)cc32)c1 4554990 MUMVQVZNEOXUDE-IBGZPJMESA-N 388.261 3.503 0 40 GHAB CC[C@@H]1CCc2c(sc(NC(=O)CCc3ccc(OC)cc3)c2C(N)=O)C1 5476584 LXBVAARHQCMNAH-CYBMUJFWSA-N 386.517 3.942 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CSc1nc2ncccc2[nH]1 5454215 QNHCAYOUAFNCKS-UHFFFAOYSA-N 377.267 3.760 0 40 GHAB CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 5466222 PUPNIRUGVFCOLY-UHFFFAOYSA-N 386.517 3.848 0 40 GHAB O=C(Nc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1)c1ccco1 4677198 WHFPVNOPAPSBAP-UHFFFAOYSA-N 383.404 3.798 0 40 GHAB O=C(COc1ccc2c(c1)CCC2)Nc1ccccc1I 5573691 IVVORABNGGDBMN-UHFFFAOYSA-N 393.224 3.797 0 40 GHAB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)NC1CC1 4836099 YBXWPQQZBMBROP-UHFFFAOYSA-N 380.831 3.991 0 40 GHAB CN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 4950018 HMOIUSXZEAEWLG-MDZDMXLPSA-N 398.406 3.608 0 40 GHAB Cc1nc2cc(C(=O)OCC(=O)N3CCCCCC3)ccc2n1-c1ccccc1 6909046 YSMLLYUVZOJGMQ-UHFFFAOYSA-N 391.471 3.893 0 40 GHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cc(=O)[nH]c2ccccc12 15640492 OLDDXNPFYOKHNX-UHFFFAOYSA-N 398.344 3.985 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC(=O)N1CC[C@@H](C)Sc2ccccc21 7391046 IHFPGWXTQFXWLB-CQSZACIVSA-N 379.485 3.622 0 40 GHAB C[C@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 7875616 RYUPSGJLIZITQG-NSHDSACASA-N 386.542 3.944 0 40 GHAB Cc1ccccc1CN(C)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 16343927 YYHLELJWHOSZTD-OAQYLSRUSA-N 394.515 3.952 0 40 GHAB CN(C)[C@@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 8036770 VLFKFDDIMJNEED-QFIPXVFZSA-N 378.516 3.947 0 40 GHAB CC(C)(C)OC(=O)NCC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 64440516 ZHPUIHYSRMONRG-UHFFFAOYSA-N 375.465 3.985 0 40 GHAB CC(=O)N[C@@H](CC(=O)NCCc1ccc(C(F)(F)F)cc1)c1ccccc1 9454587 QZDZGPQHQAOFMF-SFHVURJKSA-N 378.394 3.632 0 40 GHAB O=C(NCc1ccc(-c2nn3cnnc3s2)cc1)c1cccc2ccccc12 19894055 DLCOFQYPDXUXFS-UHFFFAOYSA-N 385.452 3.936 0 40 GHAB CC(C)c1ccc(-n2cc(O)c(C(=O)NCCc3nc4ccccc4[nH]3)n2)cc1 78939027 JFQPXMGMMXTZNU-UHFFFAOYSA-N 389.459 3.550 0 40 GHAB Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H](Nc4ccccc4)C3)cc2)co1 84271910 YBRNZSZHFBAXSS-IBGZPJMESA-N 397.500 3.915 0 40 GHAB COc1cccc(OCc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)o2)c1 28226365 HQQDDYXCJTZNIQ-UHFFFAOYSA-N 381.384 3.891 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20481728 FQKJYNNIJOLJOS-UHFFFAOYSA-N 394.443 3.533 0 40 GHAB O=C(NCC[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1Cc2ccccc2S1 95408290 XVMHEUFUKQUOGR-WMZOPIPTSA-N 381.419 3.660 0 40 GHAB Cn1ccnc1COc1ccc(CN(CCCO)[C@@H]2CCc3ccccc32)cc1 95959699 UUHCTHKGHUTXGR-HSZRJFAPSA-N 391.515 3.871 0 40 GHAB CSc1ccccc1NC(=O)c1nnn(-c2nc3c(s2)CCCC3)c1C 56933979 WUENKDPWJCITMN-UHFFFAOYSA-N 385.518 3.885 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=O)CCc3ccc4c(c3)OCO4)sc2c1 24923560 KYEOBOZFWRDIRG-UHFFFAOYSA-N 383.429 3.555 0 40 GHAB C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)Cn1cc(C(N)=O)c2ccccc21 545905547 UWXFYWDNGWELKG-IVZQSRNASA-N 375.472 3.570 0 40 GHAB CCS(=O)(=O)Nc1ccc(NC(=O)CCc2ccccc2Cl)cc1C 62582157 WHPODMXDSRCMKJ-UHFFFAOYSA-N 380.897 3.981 0 40 GHAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc(C)c1 408644432 FQXMTJLJSAQLSA-UHFFFAOYSA-N 382.460 3.848 0 40 GHAB CCOc1ccc(-c2nc(-c3ccccc3OCC(=O)NC(C)C)no2)cc1 33325195 VOZOASMTPWKSEX-UHFFFAOYSA-N 381.432 3.706 0 40 GHAB CN(C(=O)c1ccc2c(c1)CCC=C2)[C@H](C(N)=O)c1cccc(Br)c1 556951043 DMAKRXRKLVABKJ-SFHVURJKSA-N 399.288 3.707 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1ccc(-n2ccnc2)cc1 30756784 VALXWFSENHUJSG-UHFFFAOYSA-N 396.299 3.799 0 40 GHAB Cn1ncc(C(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)c1Cc1ccccc1 1533005098 VMPBTUQOIQTSPB-MRXNPFEDSA-N 385.389 3.846 0 40 GHAB COc1ccccc1-n1ccn2c(SCc3ccccc3Cl)nnc2c1=O 64593047 UDZXQJGCHYGHOK-UHFFFAOYSA-N 398.875 3.835 0 40 GHAB CC(C)c1ncc(Cl)c(C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)n1 121117498 IXBMJMPOFPXWRR-LBPRGKRZSA-N 388.855 3.701 0 40 GHAB Cn1cc(C(=O)N2CCc3nc(-c4ccc(C(F)(F)F)cc4)sc3C2)cn1 36752135 MVQVGAQPCLIBPG-UHFFFAOYSA-N 392.406 3.761 0 40 GHAB Cc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)n1 72362371 FZMKKWNOMJZUNW-LJQANCHMSA-N 388.471 3.921 0 40 GHAB COCc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1OC 224401186 YAZQEYFCWGBTNM-UHFFFAOYSA-N 388.895 3.766 0 40 GHAB CCN1CCN(C(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)CC1 224295065 GFMYCQAZQGRORM-UHFFFAOYSA-N 382.504 3.669 0 40 GHAB CCOC(=O)[C@@H]1CC(=O)N(Cc2ccc(-c3nc4ccccc4s3)cc2)C1 45886861 HVVACDRQAZSCSM-MRXNPFEDSA-N 380.469 3.875 0 40 GHAB Cc1cccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)c1 225494740 VOUQMTIJFKTDEE-LJQANCHMSA-N 382.504 3.624 0 40 GHAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1cccc(N2CCCC2=O)c1 225638279 QMPHNIIRYSLJIJ-MRXNPFEDSA-N 383.517 3.876 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 223468916 CNQNWEKAPXITBA-QGZVFWFLSA-N 388.533 3.527 0 40 GHAB CC[C@@H](C(=O)NCC1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 224302863 IFZBVHZYDNVFOR-KRWDZBQOSA-N 386.945 3.581 0 40 GHAB O=C1N/C(=C\c2cc(Cl)c(O)c(Br)c2)C(=O)N1c1ccccc1 95483078 FFSCDGAYHYLNDQ-JYRVWZFOSA-N 393.624 3.905 0 40 GHAB O=C(Nc1ccccc1)C1=NO[C@@]2(CCCN(C(=O)Nc3cccc(F)c3)C2)C1 96225207 VFXFESWOHIWOMQ-NRFANRHFSA-N 396.422 3.607 0 40 GHAB CCc1ccc(NC(=O)N2CC[C@]3(CC[C@H](C(=O)NCC4CC4)O3)[C@H](C)C2)cc1 96261026 HREKXMKSSUAJEH-AYPBNUJASA-N 399.535 3.567 0 40 GHAB Cn1cncc1-c1cc(CC2CCN(C(=O)c3cccc(F)c3)CC2)ccn1 257250517 JMVXWJDLYFAUMN-UHFFFAOYSA-N 378.451 3.716 0 40 GHAB Cn1cncc1-c1nccnc1C[C@H]1CCCN(C(=O)CC2CCCCC2)C1 257335878 YMGSDZRSSWKTBA-GOSISDBHSA-N 381.524 3.629 0 40 GHAB Cc1cccnc1C(=O)N1[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@H]1[C@]3(C)C2 257204261 ATTCJKJKEFUCTO-DVSDUFGPSA-N 385.508 3.783 0 40 GHAB Cc1cnn(CC(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)c1 257278157 OBBKTCMDFNJRCW-KRWDZBQOSA-N 398.894 3.830 0 40 GHAB C[C@H]1CCn2ncc(C(=O)N3CCC([C@H](CC(=O)O)c4ccccc4)CC3)c2C1 621544414 WDXPTECZTFZOKQ-QFBILLFUSA-N 395.503 3.576 0 40 GHAB O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N[C@H]1CO[C@H](C2CC2)C1 626547537 KVXAIRXCIIWVFW-MFKMUULPSA-N 380.313 3.996 0 40 GHAB Cc1cc(C)cc(-n2nc(NC(=O)N3CC(=O)Nc4ccccc4C3)cc2C)c1 1216217951 IRSLQWDBCNDOGB-UHFFFAOYSA-N 389.459 3.784 0 40 GHAB Cc1cc(C(=O)N2CCC(COc3ccccc3)CC2)c2c(C)nn(C)c2n1 55424947 LUBHRRDEOQFVMO-UHFFFAOYSA-N 378.476 3.516 0 40 GHAB CC(C)c1nccn1CC1CCN(C(=O)c2cncc(Br)c2)CC1 62129987 WJJBTIPXGRNIBI-UHFFFAOYSA-N 391.313 3.716 0 40 GHAB Cc1cccc(CC(=O)N2CCC[C@@H](c3nc(O)cc(-c4ccncc4)n3)C2)c1 12256935 PVLOJADQCNMDQG-LJQANCHMSA-N 388.471 3.501 0 40 GHAB Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN(C)CC4)cc3C)cc2c1 13565084 JSIXPBXDAUZTDX-UHFFFAOYSA-N 376.504 3.509 0 40 GHAB CN(C(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccccc1 13673446 CFBTUMLWVRBWTO-UHFFFAOYSA-N 380.469 3.788 0 40 GHAB CC[C@H](C(=O)N(C)Cc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714076 SMLDAJQYDONQEQ-GOSISDBHSA-N 394.924 3.543 0 40 GHAB O=c1cc(-c2ccccc2Cl)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]1 14608476 ADLRWSXLQLDRSR-UHFFFAOYSA-N 384.842 3.556 0 40 GHAB Cc1cccc(C2(O)CCN(Cc3nc(-c4cccnc4Cl)no3)CC2)c1 19234523 YUNJOCHTQAWWND-UHFFFAOYSA-N 384.867 3.577 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](c2nnc(-c3cccs3)o2)C1 19344862 GOQDDTOPVIUWNG-LLVKDONJSA-N 395.893 3.630 0 40 GHAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)[C@@H]2C[C@@H]2C)C1 19529856 FSYBVIZTRUHGCI-QUZZAMIASA-N 396.487 3.712 0 40 GHAB Cc1nn(C[C@@H](C)C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c(C)c1C 19556986 XLVZXCAXOWFKMB-QGZVFWFLSA-N 398.551 3.948 0 40 GHAB Cc1ccccc1N1C[C@H](C(=O)Nc2nnc(-c3ccccc3F)s2)CC1=O 19661631 BDNXRARHVPOIPM-CYBMUJFWSA-N 396.447 3.644 0 40 GHAB Cc1cc(C(F)F)n2ncc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2n1 19714904 BDNXLGMAISYKKB-UHFFFAOYSA-N 385.418 3.823 0 40 GHAB CO[C@@H](C(=O)Nc1ccc2c(Cl)ccc(Br)c2n1)[C@@H]1CCOC1 622094279 HOOOJOQDNGFQEY-RFAUZJTJSA-N 399.672 3.641 0 40 GHAB COc1cc2c(cc1OC)[C@H](C)N([C@H]1CCCN(C(=O)C3CCCC3)C1)CC2 12232931 CKCJXFOLLZJXMM-LPHOPBHVSA-N 386.536 3.804 0 40 GHAB O=C1N[C@@]2(C[C@H]3CC[C@H]2N3Cc2cccc(C(F)(F)F)c2)Nc2ccccc21 247847353 FFWDEVNQJNYZOE-XFQXTVEOSA-N 387.405 3.994 0 40 GHAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)sc2n1 14521667 FKDLFHRUELJBOE-UHFFFAOYSA-N 395.532 3.621 0 40 GHAB CCS(=O)(=O)c1ccccc1NC(=O)c1ccc(Br)cc1F 40074542 UGMPNZVYABVETK-UHFFFAOYSA-N 386.242 3.634 0 40 GHAB O=C(NCc1ccc(F)cc1)NC[C@](O)(c1ccsc1)c1cccs1 240122622 WDRRHUYOUGWADI-SFHVURJKSA-N 376.478 3.684 0 40 GHAB O=C(COc1cccc2c1CCN(Cc1ccccc1)C2=O)N1CCCCCC1 2716333 NBEJAQXGCQCONG-UHFFFAOYSA-N 392.499 3.667 0 40 GHAB Cc1cccc(N2C[C@@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)c1C 2974517 QFZSKWFNUSNJPA-XMMPIXPASA-N 393.507 3.725 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4nccs4)ncnc32)c(C)c1 4341759 FFHHGTRFPQWHDU-UHFFFAOYSA-N 396.501 3.620 0 40 GHAB CCN1CCN(c2nc3ccc(OC(=O)c4cccc(F)c4)cc3s2)CC1 7512603 VCYZJSZLMDEBEA-UHFFFAOYSA-N 385.464 3.797 0 40 GHAB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc1OC 8843633 QQRACOSVUFWXIK-HXUWFJFHSA-N 395.459 3.669 0 40 GHAB CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc21 9170549 YVSOLBGLEBXNBH-UHFFFAOYSA-N 388.489 3.567 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nccn(-c3cccc(F)c3)c2=O)c1 10272990 XCRRDVDVRUBIQM-UHFFFAOYSA-N 383.448 3.719 0 40 GHAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)c1cccc2ccccc12 10333494 MNCVOCBYYMUFAI-FQEVSTJZSA-N 395.890 3.851 0 40 GHAB CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccco2)o1 13961849 ZUKBLPHAQKUMSX-UHFFFAOYSA-N 378.432 3.799 0 40 GHAB CN1CCN([C@H](CNC(=O)Cc2cccc3ccccc23)c2ccsc2)CC1 22765618 IFQMCFTUMZIQGO-JOCHJYFZSA-N 393.556 3.549 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)c(OC)c1 1775970662 HJCNPQZQJNGNEH-MRXNPFEDSA-N 385.464 3.730 0 40 GHAB COc1ccc(CNC(=O)NC[C@@H](c2ccco2)c2cccs2)cc1OC 585146722 HMZAKJFSJRMBJU-HNNXBMFYSA-N 386.473 3.990 0 40 GHAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(N2CCCC2)cc1 10430208 SLHYGLSEQIUWMA-UHFFFAOYSA-N 392.286 3.962 0 40 GHAB COc1ccc2[nH]cc([C@H](O)CN3CCN(c4cc(Cl)ccc4C)CC3)c2c1 20057267 WAUXLIREQJIRPJ-JOCHJYFZSA-N 399.922 3.994 0 40 GHAB CCOc1cccc(CNC(=O)c2ccccc2I)c1 20451544 ZDYILBROEUAZGM-UHFFFAOYSA-N 381.213 3.620 0 40 GHAB CC(C)Oc1ccc(-c2nc3c4c5c(sc4ncn3n2)CN(C)CC5)cc1 20566624 RKLNCZUZVMJQAR-UHFFFAOYSA-N 379.489 3.781 0 40 GHAB Cc1ccc(C(C)C)cc1OCC(=O)OCC(=O)Nc1ccc(F)c(F)c1 7977874 IRBLKIAITLNZBG-UHFFFAOYSA-N 377.387 3.957 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1 29765825 WRMHJTOVHCECJX-GXTWGEPZSA-N 375.852 3.786 0 40 GHAB COC(=O)c1ccccc1NC(=O)COC(=O)Cc1c(Cl)cccc1Cl 2659058 ZMDYWPIWMKOAOM-UHFFFAOYSA-N 396.226 3.504 0 40 GHAB CC(C)n1nc(C(=O)Nc2cc3c(cc2Cl)OCO3)c2ccccc2c1=O 16477432 DGKDPQSBMXIMCQ-UHFFFAOYSA-N 385.807 3.612 0 40 GHAB C[C@@H](NC(=O)CSc1nc2c(c(=O)n1C)C1=C(CCCC1)C2)c1ccccc1 1095857 IWJKAMRLQIKUDY-CQSZACIVSA-N 395.528 3.634 0 40 GHAB CCCc1nc(N2CCN(C(=O)c3cccnc3)CC2)c2c(C)c(C)sc2n1 1377179 QKMHTPSCWKLNIK-UHFFFAOYSA-N 395.532 3.618 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2OC)cc1 1506022 LICPGYOLIULRMR-SFHVURJKSA-N 379.503 3.530 0 40 GHAB CCOC(=O)c1c(NC(=O)c2cc(CC(C)C)on2)sc(C(C)=O)c1C 2498116 ILYXBUQEMMHRJI-UHFFFAOYSA-N 378.450 3.875 0 40 GHAB Cc1nc2nc(O)c3c(n2n1)N=C1CC(C)(C)CC(O)=C1[C@@H]3c1ccccc1 102404055 DQMIBJDNMXJXIA-HNNXBMFYSA-N 375.432 3.988 0 40 GHAB Cc1ccc(F)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 6206075 BXTRJLBFIQIOEV-UHFFFAOYSA-N 396.871 3.824 0 40 GHAB Cc1cc(I)cnc1NC(=O)c1cc2ccccc2o1 6572476 IEXIJYCKLNPVGH-UHFFFAOYSA-N 378.169 3.993 0 40 GHAB CCOC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O 6954689 PVMNTSGKASLXSR-LDADJPATSA-N 397.452 3.865 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 8039642 ZRBSXWCAGOFCGV-CQSZACIVSA-N 393.468 3.610 0 40 GHAB COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)c1 100552558 JFSNPZXTRNNBIJ-OALUTQOASA-N 379.412 3.594 0 40 GHAB COc1cc(NC(=O)c2ccc(F)cc2)ccc1N1C(=O)c2ccccc2C1=O 8111586 ZMGDOZCXGAOVLC-UHFFFAOYSA-N 390.370 3.887 0 40 GHAB Cn1nc(C2CCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1cccs1 8635451 KVTMANIBEQMRGM-KSZLIROESA-N 398.576 3.747 0 40 GHAB biogenic,in-vitro Cc1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c2c(C)noc2n1 22138180 CCYRABZFYIOXJR-LJQANCHMSA-N 381.432 3.738 0 40 GHAB Cc1cccc(CN2CCN(CC(=O)N[C@@H](c3cccs3)C(C)C)CC2)c1 22133931 XWCOSMHQXMARJR-JOCHJYFZSA-N 385.577 3.688 0 40 GHAB CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCCCCC1 22618520 ZLZLDZSFURGCPT-FQEVSTJZSA-N 388.533 3.545 0 40 GHAB Cc1nc(C)c2c(C)c(C(=O)N[C@@H](C)c3ccc4c(c3)CCC(=O)N4)sc2n1 53801970 UZFAFIJUQKRXDR-NSHDSACASA-N 394.500 3.992 0 40 GHAB COc1ccc2[nH]c(C(=O)N3CCc4cc(OC)c(OC)cc4C3)c(C)c2c1 19114421 IMMJQXWJBQMQSV-UHFFFAOYSA-N 380.444 3.701 0 40 GHAB biogenic O=C(CCc1nc(-c2cccnc2)no1)N1CCC(Cc2ccccc2)CC1 106035959 AUQZIBDJNYMDAO-UHFFFAOYSA-N 376.460 3.546 0 40 GHAB O=C(CNC(=O)NCc1ccccc1)Nc1ccccc1Oc1ccccc1 25986458 IULPYFPIADRYRQ-UHFFFAOYSA-N 375.428 3.917 0 40 GHAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)C2=O 3273643 GSLTTYHVRMTKJG-HJPURHCSSA-N 391.471 3.793 0 40 GHAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)n1 44654338 SVGWLUDZFGUKKZ-AWEZNQCLSA-N 386.496 3.913 0 40 GHAB Cc1ccccc1-n1c(COc2ccccc2)nn(CN2CCOCC2)c1=S 27525240 KOXWFVSTVJNMOW-UHFFFAOYSA-N 396.516 3.580 0 40 GHAB O=C(CC1CCCCC1)NCCNC(=O)Nc1nnc(C2CCCCC2)s1 58174492 UBAWVZRYLKYNCC-UHFFFAOYSA-N 393.557 3.794 0 40 GHAB Cc1ccc2nc(NC(=O)CCc3c(C)nc4cc(O)nn4c3C)sc2c1 58113322 MHFLSOKIRINIPT-UHFFFAOYSA-N 381.461 3.541 0 40 GHAB Cc1ccc(OCCOCCNC2CCCC2)c(I)c1 2191209 QUWSCNHOMODVPP-UHFFFAOYSA-N 389.277 3.527 0 40 GHAB O=C(OCCN1CCOCC1)c1ccccc1Nc1cccc(C(F)(F)F)c1 21992289 HFDICMGFNMPWKY-UHFFFAOYSA-N 394.393 3.938 0 40 GHAB CO[C@H](C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1 58378071 XIXPVKMGTRVIRB-FQEVSTJZSA-N 382.847 3.876 0 40 GHAB Cc1ccc(-n2c(SCC(=O)O)nc3sc4c(c3c2=O)CCCC4)cc1 2271981 MWAFRRRUWPLBCR-UHFFFAOYSA-N 386.498 3.811 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 28293647 XJBDJHICRSNZQH-QGZVFWFLSA-N 379.460 3.963 0 40 GHAB O=C(Nc1ccc2c(c1)C(=O)NC2)c1cnn(-c2ccc(Cl)cc2Cl)c1 58749582 GJYDDRIHAHCFIY-UHFFFAOYSA-N 387.226 3.675 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)NCCc1cccc(Cl)c1Cl 59307658 NWCYOZNMCVAWLX-UHFFFAOYSA-N 386.300 3.760 0 40 GHAB CC(C)c1ccc2c(c1)[C@]1(Nc3ccccc3C(=O)N1C[C@@H]1CCCO1)C(=O)N2 48355584 SFQCAMMIYZANIJ-QMHKHESXSA-N 391.471 3.662 0 40 GHAB CCc1nc2ccccc2n1CC(=O)NCc1ccc(N2CCCCCC2)nc1 48355266 AOELWENJWKBCFT-UHFFFAOYSA-N 391.519 3.691 0 40 GHAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1nnnn1-c1ccccc1 11621389 FXNKBRBNQOCPGP-MRXNPFEDSA-N 393.516 3.582 0 40 GHAB CCc1ccc2nc(NC(=O)C3CCN(C(=O)c4ccncc4)CC3)sc2c1 12890451 XNQPQJHYAHLQAD-UHFFFAOYSA-N 394.500 3.745 0 40 GHAB CCn1c(CN2c3ccccc3Sc3ccccc32)nnc1SCC(N)=O 2507062 ODTHJRRRJUKWRD-UHFFFAOYSA-N 397.529 3.678 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N3CCCC3)n2-c2ccccc2)cc1 3432532 JXXHDZUZHTYHHQ-UHFFFAOYSA-N 394.500 3.657 0 40 GHAB O=c1[nH]c2ccccc2n1CCCSc1nncn1-c1cccc(Cl)c1 8192675 GXCDQKNAFCFBFA-UHFFFAOYSA-N 385.880 3.746 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1ccccc1Cl 12973757 MORKDIQKYOSBIP-UHFFFAOYSA-N 389.908 3.680 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(Cl)cc1F 12906435 LOBMXVYXYOEXIV-CYBMUJFWSA-N 387.846 3.691 0 40 GHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)C12CC3CC(CC(C3)C1)C2 12900067 GJNIAFHTZGQXLZ-ZLCDGRSFSA-N 384.520 3.853 0 40 GHAB CC(C)c1ccccc1NC(=S)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 13068657 AXOGELAKEAAJPH-CYBMUJFWSA-N 377.535 3.505 0 40 GHAB CCc1noc(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 21792204 QAWCQOIUJOKWKT-OAHLLOKOSA-N 390.443 3.599 0 40 GHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CNC(=O)c1ccc(Cl)cc1 8279624 TYNPGDMSZMDAMY-LBPRGKRZSA-N 387.892 3.899 0 40 GHAB CCCc1ccc([C@@H](C)NC(=O)CN2CCN(c3ccccc3F)CC2)cc1 13323402 BDLDINKKPGJCCR-GOSISDBHSA-N 383.511 3.778 0 40 GHAB COc1ccc(OCCN(C)CC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 49634627 FRAYNBSSBAZWMN-JOCHJYFZSA-N 382.504 3.542 0 40 GHAB CSCC[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1nc2ccccc2[nH]1 39994139 CPECDZBRKITNRB-LJQANCHMSA-N 391.500 3.973 0 40 GHAB CCOC(=O)c1c(NC(=O)CCNCc2ccccc2)sc2c1CCCC2 13941958 PUWJYHWMLAGFGW-UHFFFAOYSA-N 386.517 3.922 0 40 GHAB COc1cccc(NC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)c1 5399710 GMDCSKXMGDSKDG-UHFFFAOYSA-N 385.423 3.711 0 40 GHAB COc1cc(/C=C/C(=O)Nc2nnc(CC(C)(C)C)s2)cc(OC)c1OC 4679733 ROSVCDGXOHSIEE-BQYQJAHWSA-N 391.493 3.804 0 40 GHAB COc1ccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cccc(F)c4)c32)cc1 66087883 NGUQWKIBEIDWDD-MRXNPFEDSA-N 380.375 3.797 0 40 GHAB CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCc2ccccc2)cc1 5673639 AZCXLCLUOCALFB-LJQANCHMSA-N 382.485 3.622 0 40 GHAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 6882071 ZGYNLFSVHPSLRK-UHFFFAOYSA-N 379.382 3.523 0 40 GHAB Cc1ccc(OCCSc2nnc(COc3ccc(Cl)cc3)n2N)cc1 4986808 ZCKRYRKMCVGSMD-UHFFFAOYSA-N 390.896 3.704 0 40 GHAB CC(=O)Nc1ccc2c(CSc3nnc(-c4ccco4)o3)cc(=O)oc2c1 6905606 YWJRQUAXLDBOGN-UHFFFAOYSA-N 383.385 3.687 0 40 GHAB C[C@H](NC(=O)CCn1c(=S)[nH]c2ccccc2c1=O)c1cccc(Cl)c1 17908646 VITCZBLDCWZYCD-LBPRGKRZSA-N 387.892 3.980 0 40 GHAB CCCCn1c(SCC(=O)N(C)c2ccccc2)nc2cc(C)[nH]c2c1=O 67238416 RTMQCNKQJQZAMG-UHFFFAOYSA-N 384.505 3.588 0 40 GHAB C[C@H]1CCc2c(C(=O)NCc3ccc(CN4CCOCC4)cc3)csc2C1 18217428 DAKAHFDNJNXGTD-INIZCTEOSA-N 384.545 3.635 0 40 GHAB CN(CC(=O)Nc1ccccc1Br)C(=O)c1cc(Cl)ccc1F 15610092 IEUBRIZHTPPPHY-UHFFFAOYSA-N 399.647 3.952 0 40 GHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)c1 16130001 JDNJTVXJFZNPKI-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB Cc1ccccc1-c1noc(CN2CCC(C(=O)N3CCCCCC3)CC2)n1 8881123 VAEAQGPCKNJBIM-UHFFFAOYSA-N 382.508 3.660 0 40 GHAB CCc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)cc1 9236442 QDPMKOVNETZMIV-ROUUACIJSA-N 379.489 3.547 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1csc(-c2ccsc2)n1 9217152 OCXDTHKJLDPUEO-UHFFFAOYSA-N 399.541 3.980 0 40 GHAB c1cncc(-c2noc([C@@H]3CC34CCN(c3ncnc5sccc35)CC4)n2)c1 71890521 PQRHZPKXJDIAAR-HNNXBMFYSA-N 390.472 3.910 0 40 GHAB Cc1sc(CCNS(=O)(=O)c2cc(F)ccc2F)nc1-c1ccccc1 79062580 HMSZJZHXCOMJJE-UHFFFAOYSA-N 394.468 3.918 0 40 GHAB Cc1nnsc1-c1nnc2sc(-c3ccc(OC(F)(F)F)cc3)nn12 72405555 XPFOSZSOXDEPLE-UHFFFAOYSA-N 384.368 3.578 0 40 GHAB CCN(Cc1nonc1C)C(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 28229765 IUKMHHFKZJSNBF-UHFFFAOYSA-N 381.432 3.701 0 40 GHAB COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)sc(C)c1C 95447970 BXLLQEFRXKVACM-UHFFFAOYSA-N 389.882 3.614 0 40 GHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C1=O 408602469 OHRRFJBVNANYQY-OVCLIPMQSA-N 393.367 3.824 0 40 GHAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc(OC)c1O 36355010 YIZOLRGTSVZLHR-AWEZNQCLSA-N 383.379 3.858 0 40 GHAB O=C1NC(=O)/C(=C/c2ccc(-c3ccc(I)cc3)o2)S1 32286118 GJWICEZSGVZKRF-GHXNOFRVSA-N 397.193 3.875 0 40 GHAB CC(C)c1cccc(N(C)C(=O)c2cccnc2S(=O)(=O)C(F)(F)F)c1 60246443 JRAMSKSZIDFJCX-UHFFFAOYSA-N 386.395 3.775 0 40 GHAB CCCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccccc1 217484172 NPVTXEKCYOYCEL-UHFFFAOYSA-N 390.505 3.508 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(O)=Nc2nnc(-c3ccco3)n21 72403774 BNTWTRMXMVPJRR-LLVKDONJSA-N 391.309 3.728 0 40 GHAB COCCN1CCCc2ccc(NC(=O)c3ccc(Br)o3)cc21 35588045 BLMQIXDLHPYXRJ-UHFFFAOYSA-N 379.254 3.693 0 40 GHAB Cn1nc(-c2ccccc2Cl)cc1C(=O)N1CCN(c2ccccc2)CC1 72403661 UCMIQKNLXMSSJD-UHFFFAOYSA-N 380.879 3.703 0 40 GHAB Nc1c(Cl)cc(Br)cc1-c1nn2c(C(F)(F)F)nnc2s1 73634289 QQKXVFLDFNSKJU-UHFFFAOYSA-N 398.595 3.870 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc(-c2ccc(C(=O)O)cc2)o1 71283062 WFWCGAPRLUGDKE-ZDUSSCGKSA-N 381.388 3.839 0 40 GHAB Cc1ccc(-c2csc(NC(=O)Cc3nc4nc(C)cc(C)n4n3)n2)c(C)c1 40130264 XIPGPWZCWDZEHR-UHFFFAOYSA-N 392.488 3.663 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3C)ccc21 225734747 GEXJMYNLKDMYFM-AWEZNQCLSA-N 390.530 3.821 0 40 GHAB CN(C)c1c(Cl)cccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 45760390 ZGHYTCJJZNTBKJ-UHFFFAOYSA-N 396.834 3.501 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1C 222562546 YXGSHFIYHZYIOH-KRWDZBQOSA-N 386.517 3.724 0 40 GHAB CCN(Cc1ccc(C(=O)NC(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 224459496 NCOIILRXRBMHCK-UHFFFAOYSA-N 394.924 3.689 0 40 GHAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 225744936 MOFAHEWIMUNCKO-JOCHJYFZSA-N 392.540 3.712 0 40 GHAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 222874399 WIBLHZYYTDREGW-IBGZPJMESA-N 398.572 3.742 0 40 GHAB CN1CCN(Cc2ccccc2CNC(=O)c2cc(Cl)ccc2Cl)CC1 40089770 VJRAMLJRWQLOGH-UHFFFAOYSA-N 392.330 3.671 0 40 GHAB C[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O 224008163 JOYIORZXYZAJCD-CYBMUJFWSA-N 388.961 3.826 0 40 GHAB O=C(c1cnc2ccccc2c1)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238752 WAJXCKZVIKIYCJ-HSZRJFAPSA-N 389.430 3.643 0 40 GHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(S(=O)(=O)c4ccccc4)[C@@H]3C[C@H]21 257304984 SNYLSXQBKJZDGA-UKAVVXHISA-N 399.512 3.767 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NCc1nnc2ccc(-c3cccs3)nn12 253398126 GNQYVURXCAZVPO-JXMROGBWSA-N 395.875 3.836 0 40 GHAB Cc1ccc(N2CCC(C(=O)Nc3c(-c4ccccc4)n[nH]c3C)CC2)nc1 644067549 MUZRWNAVJBDKHH-UHFFFAOYSA-N 375.476 3.944 0 40 GHAB Cc1noc([C@H]2CN(C(=O)N[C@@H](C)c3oc4ccccc4c3C)C[C@@H](C)O2)n1 606444744 CVEMNORCZWIMGT-BTJLNZGRSA-N 384.436 3.665 0 40 GHAB Oc1nc(/C=C/c2cn(C3CCC3)nn2)nc2sc(Br)cc12 585091691 UMMGBBMVBSGEHM-SNAWJCMRSA-N 378.255 3.646 0 40 GHAB Cc1nc(C)c(CC(=O)N[C@H](CCC(C)C)c2ccc(Cl)cc2)c(=O)[nH]1 57128538 QPRIITLBNNLQQN-GOSISDBHSA-N 375.900 3.876 0 40 GHAB Cc1ccn(CCC(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)n1 1615157054 LVJOUAKHTWYZOC-XLIONFOSSA-N 384.499 3.627 0 40 GHAB CCn1c(C)cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c1C 6144983 QTJDMUHOXAOFTD-CXUHLZMHSA-N 388.445 3.741 0 40 GHAB CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccccc1OC 5022119 VZTCHSNKIJYKPH-UHFFFAOYSA-N 383.473 3.957 0 40 GHAB COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCCC(=O)O)cc1 5794176 BZTQOGCCYWZUPG-FQEVSTJZSA-N 380.444 3.936 0 40 GHAB c1csc(-c2nc(N3CCN4CCCC[C@H]4C3)ncc2-c2ccncc2)c1 12338417 ZIAUZBMIAMJAAV-KRWDZBQOSA-N 377.517 3.942 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)Cc3coc4cc5c(cc34)CCC5)cc2NC1=O 12903753 JICWTRGKWYJIJR-LBPRGKRZSA-N 376.412 3.822 0 40 GHAB COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1OC 13708304 RSDUCBLQCRPBJJ-MRXNPFEDSA-N 379.456 3.983 0 40 GHAB CS(=O)(=O)N(CCCC(=O)NC1CCCC1)c1cc(Cl)ccc1Cl 14399567 JWTZGQVNKONCJE-UHFFFAOYSA-N 393.336 3.598 0 40 GHAB O=C(CN1CCN(c2ccccc2)CC1)NCC12CC3C[C@H](CC[C@H](C3)C1)C2 16778735 AHSLVYVIPOQCRU-SQUILIJDSA-N 381.564 3.531 0 40 GHAB COc1cccc(Nc2noc3c2CN(Cc2cnc(C(C)C)nc2)CC3)c1 19454096 XHNQOAJIKCNPRA-UHFFFAOYSA-N 379.464 3.899 0 40 GHAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCCN(C(C)C)C1 19529963 UXGLKXVVYVXPLK-KKSFZXQISA-N 376.472 3.763 0 40 GHAB Cc1ccc2c(c1)CN(C)C[C@]1(CCCN(C(=O)Cc3ccccc3F)C1)O2 12365365 VDPABRBFIFTBEP-QHCPKHFHSA-N 382.479 3.562 0 40 GHAB CC1(C)C(=O)Nc2cc(C(=O)NCc3cc(Br)cs3)ccc21 555350953 VPDUVLGKYLJQKV-UHFFFAOYSA-N 379.279 3.670 0 40 GHAB CC(C)c1ccc(C(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 6610787 DDSCDHPZKVZFHD-UHFFFAOYSA-N 379.456 3.972 0 40 GHAB O=C(COC(=O)c1ccccc1C(F)(F)F)NCC1(c2ccccc2)CC1 22544290 IVEOEZXVOZDVBJ-UHFFFAOYSA-N 377.362 3.710 0 40 GHAB CCOc1ncccc1CNC(=O)c1cnc2ccccc2c1C(F)(F)F 30307919 VTWQCBFSQZDHLP-UHFFFAOYSA-N 375.350 3.977 0 40 GHAB Cc1noc([C@@H]2CN(C(=O)c3cccc(-n4cccn4)c3)C[C@@H]2c2ccccc2)n1 240067980 SGGYPAFZCJISJE-NHCUHLMSSA-N 399.454 3.587 0 40 GHAB Cc1ccccc1CSc1nnc(Cn2c(=O)sc3ccccc32)n1C 4148127 TWWFZJTWPJOVEW-UHFFFAOYSA-N 382.514 3.841 0 40 GHAB O=C(CSc1nc(-c2ccccc2)ns1)Nc1ccc2c(c1)OCCO2 4167265 DTRPNBWXGGCATR-UHFFFAOYSA-N 385.470 3.707 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1N1CCCC1=O 5329310 SASPEYWBVHWSAK-UHFFFAOYSA-N 384.501 3.801 0 40 GHAB CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C2CCCC2)s1 12442912 MBMKYSMZXNMHLX-UHFFFAOYSA-N 375.519 3.777 0 40 GHAB CN(C)c1ccc(NC(=O)C(=O)NCCc2ccc(-c3ccsc3)s2)cc1 575414097 UJMATYAVVOYNEY-UHFFFAOYSA-N 399.541 3.840 0 40 GHAB Cc1cccnc1OCC1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1 585526217 IYKJHULZBCKURH-UHFFFAOYSA-N 377.488 3.742 0 40 GHAB CSc1ccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 13751944 CATGNHOKEJZIEX-DHDCSXOGSA-N 385.901 3.741 0 40 GHAB COc1cc(NC(=O)/C=C/c2ccccc2)c(C(=O)N2CCCC2)cc1OC 40087632 AFXSSDJYCHRRLK-ZHACJKMWSA-N 380.444 3.592 0 40 GHAB CC(C)(C)OC(=O)N1CCC(C(=O)NCCc2cccc3cccnc23)CC1 29452702 RSJOGECVRYDIQS-UHFFFAOYSA-N 383.492 3.541 0 40 GHAB CC(C)c1ccc(-c2noc(CN3CCN(C(=O)c4ccccc4)CC3)n2)cc1 16695561 MINBWRIJGGCNDF-UHFFFAOYSA-N 390.487 3.818 0 40 GHAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)c1ccc(Cl)s1 8157168 LZIGGGQGFWOSEH-QMMMGPOBSA-N 375.928 3.819 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 1364563 SOEYBUWXRFPTMA-UHFFFAOYSA-N 394.500 3.943 0 40 GHAB COc1cc(I)c(Cl)cc1C(=O)Nc1ccncc1 32726744 PPMNLCDXRWVCOD-UHFFFAOYSA-N 388.592 3.601 0 40 GHAB CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1 2649842 HZBJKSHCATYIPN-UHFFFAOYSA-N 382.489 3.561 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)o2)cc1 3459060 ZGTMCCRMVJFEGP-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)CCn1cnc2sccc2c1=O 32878797 XBCFPKPIGJPYHD-UHFFFAOYSA-N 385.489 3.793 0 40 GHAB Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1C 102531963 LIMMFOYLXRQVBO-LRGYGIHKSA-N 387.435 3.834 0 40 GHAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1nc(-c2ccc3ccccc3c2)cs1 4749910 GOINZHPTZYWDOQ-CYBMUJFWSA-N 386.498 3.727 0 40 GHAB Cc1nc(NCCNC(=O)c2cccc(F)c2)c2c3c(sc2n1)CCCC3 4848567 VDHXYAFRMUQZTJ-UHFFFAOYSA-N 384.480 3.860 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1 6237660 XBEKGEMMSPXBAX-IRXDYDNUSA-N 386.517 3.914 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1Cl 7872034 CWBJLYPBIMMOKT-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB O=C(COC(=O)c1ccc(-n2cnc3ccccc32)cc1)Nc1ccccc1O 32912496 DUWOEUHTIOBPFL-UHFFFAOYSA-N 387.395 3.527 0 40 GHAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1cc(F)cc(F)c1 51364597 JXQOYMDJBWHEDZ-SFHVURJKSA-N 380.394 3.801 0 40 GHAB COc1cccc([C@@H](NC(=O)NCCc2cccc(Cl)c2)c2nccn2C)c1 29338243 LBLDOXRJEYHWJY-LJQANCHMSA-N 398.894 3.713 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc1C(=O)O 47212140 FFDSUSHWHSPSJH-UHFFFAOYSA-N 384.413 3.681 0 40 GHAB CN(Cc1c(F)cccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cn1 22343236 CPFZIYZLDUQARL-UHFFFAOYSA-N 397.903 3.685 0 40 GHAB COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 861832 YXLOZCWTSPFYPT-UHFFFAOYSA-N 386.498 3.591 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CCN1CCN(Cc2cccs2)CC1 22930281 XUWITHRFOWNLDO-UHFFFAOYSA-N 393.940 3.557 0 40 GHAB C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2ccsc2)CC1 23264660 KRDZOHBFAMSEPB-CQSZACIVSA-N 397.466 3.912 0 40 GHAB COC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 3168231 NEWOJBJKXMLHBD-MRVPVSSYSA-N 391.107 3.679 0 40 GHAB CNC(=O)c1ccc(CN(C)c2nc3c(Cl)c(C)nn3c3ccccc23)cc1 16738010 OQUHMYXIUCJAAJ-UHFFFAOYSA-N 393.878 3.840 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606467 RYHYGEIKBJMVCH-ZDUSSCGKSA-N 398.937 3.749 0 40 GHAB CC(=O)NCCC(=O)Nc1ccccc1C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 34870148 DEHYXRYIDLVBHX-RIFZZMRRSA-N 388.508 3.769 0 40 GHAB Cc1ccc(C)c(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 102623730 IDKYBZMYPHBREK-LVNJIZSUSA-N 387.435 3.834 0 40 GHAB CCn1c(=O)n(CCC(=O)NCc2ccc(C(F)(F)F)cc2)c2ccccc21 12624536 NJISFVRHFRBDAA-UHFFFAOYSA-N 391.393 3.548 0 40 GHAB O=c1c2c3c(sc2ncn1Cc1cccc(OCC(F)(F)F)c1)CCC3 57465257 SDWRHHRBLFLJNX-UHFFFAOYSA-N 380.391 3.936 0 40 GHAB O=C1CCCN1c1ccc(OCC(=O)N2CCCSc3ccccc32)cc1 25320755 LMSSTNLVNUVHFH-UHFFFAOYSA-N 382.485 3.721 0 40 GHAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2cccc(-n3nc(C)cc3C)c2)C1 48276705 ZQYMVFBZPQHWRU-SFHVURJKSA-N 397.523 3.601 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 10967939 LLAQSJGGEFVMSY-MRXNPFEDSA-N 389.517 3.778 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccc2c(c1)OCO2 27543338 YDTNXMNRMXSUKP-LBPRGKRZSA-N 380.366 3.893 0 40 GHAB CCc1nnc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)s1 10236874 YVWHPYCVQRKEBB-UHFFFAOYSA-N 387.465 3.797 0 40 GHAB Cc1ccc(C(=O)COC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1 44995607 NVQUGBXIFGQWJQ-UHFFFAOYSA-N 375.424 3.694 0 40 GHAB COc1cccc([C@@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)c1 12765321 PQEPLQXBBGOZBU-KRWDZBQOSA-N 396.306 3.984 0 40 GHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCC(c2ccc(O)cc2)CC1 12777732 QKBQZCPRUZXUBC-UHFFFAOYSA-N 395.434 3.920 0 40 GHAB COc1cc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc(Cl)c1OC 11082652 WMTBCXYOSZTXLX-UHFFFAOYSA-N 399.878 3.874 0 40 GHAB COC(=O)C1CCN(C(=O)CSc2nc(C)c(C)n2C2CCCCC2)CC1 48309262 DYPSGLYOUSEJLA-UHFFFAOYSA-N 393.553 3.509 0 40 GHAB Cc1cccc(NC(=O)CSCC(=O)N2CCC[C@H]2Cc2ccccc2)c1 36754651 VOJYEPVJIKGRQB-FQEVSTJZSA-N 382.529 3.900 0 40 GHAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC(C(=O)Nc2ccccc2)CC1 12876566 GMAFHRMRKJQPJF-AWEZNQCLSA-N 387.430 3.643 0 40 GHAB CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccccc1OC 3401435 SAXJYIVUOIAYDU-HNNXBMFYSA-N 396.516 3.943 0 40 GHAB C[C@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccc(F)cc1 3467629 WCIPZBBPIPSBRX-VIFPVBQESA-N 376.737 3.537 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccc(OCC)cc2[nH]1 6000399 VBNUCQGFOAWWAT-UHFFFAOYSA-N 399.472 3.869 0 40 GHAB O=C(NCc1ccccc1)c1cccc(OCC(=O)N2CCc3ccccc32)c1 5090003 ZRQJHWVXHBLYSH-UHFFFAOYSA-N 386.451 3.585 0 40 GHAB Cc1ccc(N2C(=O)C[C@]3(CC(c4ccc(Br)cc4)=NO3)C2=O)cc1 5054322 IBOFEWHTISWKTA-LJQANCHMSA-N 399.244 3.584 0 40 GHAB CSc1nc2nc(C)c(CCC(=O)N[C@@H]3CCCc4ccccc43)c(C)n2n1 8401488 HTUVEOHXIBWSFF-GOSISDBHSA-N 395.532 3.589 0 40 GHAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)NC12CC3CC(CC(C3)C1)C2 5310244 LFQAGEHPTPZTBF-UHFFFAOYSA-N 376.913 3.788 0 40 GHAB Cc1noc(C)c1COc1ccc(CC(=O)NCCc2ccc(F)cc2)cc1 14125496 QASBVWSWHSVWLF-UHFFFAOYSA-N 382.435 3.911 0 40 GHAB O=S(=O)(Nc1ccn(Cc2ccccc2)n1)c1ccc(Br)s1 14231395 UDYVIYCUZUGNGC-UHFFFAOYSA-N 398.307 3.556 0 40 GHAB COc1cc(OC)c(CNCc2ccccc2CN2CCCCC2)c(OC)c1 14240810 YTTMVLKQNFQFEQ-UHFFFAOYSA-N 384.520 3.988 0 40 GHAB CCc1cccc2c(CCN3C(=O)c4ccc(C(=O)O)cc4C3=O)c(C)[nH]c12 4686057 SRVUHMYLEMFFGZ-UHFFFAOYSA-N 376.412 3.576 0 40 GHAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)c(F)c2F)c(Cl)c1 6638254 REYKFBJQIQBYLF-UHFFFAOYSA-N 399.800 3.575 0 40 GHAB NC(=O)CSc1ccccc1NC(=O)CSCc1ccc(Cl)cc1 17283826 RLBHKECNJARLKP-UHFFFAOYSA-N 380.922 3.789 0 40 GHAB Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)N3CCc4ccccc43)n2n1 8704149 RRPLKCMJMORFHI-ZDUSSCGKSA-N 389.484 3.656 0 40 GHAB COC(=O)c1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCOCC1 4749004 WCQQNHBZQLOBRX-UHFFFAOYSA-N 390.439 3.715 0 40 GHAB CCCN1C(=O)[C@@](Nc2cc(C)ccn2)(C(F)(F)F)N=C1c1ccccc1 6760163 CHABCCITBKYNPV-SFHVURJKSA-N 376.382 3.760 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC(Nc2ccc(F)cc2)CC1 66457887 VOUYBBPJPMWATA-UHFFFAOYSA-N 379.435 3.901 0 40 GHAB O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1cccc(O)c1 5755715 QBNAMEZWQZTPSR-UHFFFAOYSA-N 389.451 3.821 0 40 GHAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Br)cc1 4878652 MHCPDHAEZYMXLP-HNNXBMFYSA-N 391.269 3.673 0 40 GHAB CN(C(=O)c1ccccc1C(=O)OCC(=O)Nc1ccccc1)c1ccccc1 6882234 BMKZRFFVOHSJAH-UHFFFAOYSA-N 388.423 3.759 0 40 GHAB CCOc1ccc(CN(C)C(=O)COC(=O)c2cc3ccccc3cc2O)cc1 5843307 QBDMRXFQIKFFIF-UHFFFAOYSA-N 393.439 3.760 0 40 GHAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccc2c(c1)OCO2 4966472 GPHOOOSLAKKLNQ-UHFFFAOYSA-N 395.484 3.843 0 40 GHAB Cc1cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc2n1 6987406 JPQMWTGYVOIJCH-UHFFFAOYSA-N 379.504 3.798 0 40 GHAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(=O)NC1CCCC1 8766745 YCLPKWMERLRXLY-UHFFFAOYSA-N 381.807 3.614 0 40 GHAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)CCCC3CCCCC3)nc2c1 7134881 XYWUWUOYIOQPSL-UHFFFAOYSA-N 386.448 3.504 0 40 GHAB COCCn1ccnc1[C@H]1CN(Cc2cccc(OC)c2)Cc2ccccc21 306125745 DARSXGCQVMKTLR-QFIPXVFZSA-N 377.488 3.686 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 8935369 UAKLREWGCNTPCO-UHFFFAOYSA-N 389.839 3.826 0 40 GHAB Cn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)NCc2ccco2)c2ccccc21 9192395 XTAGEHYDGAECFO-QHCPKHFHSA-N 399.450 3.633 0 40 GHAB C[C@@H]1CCC[C@H](NC(=O)CCC(=O)NCc2cccc(Br)c2)[C@@H]1C 9553841 SDVLUQRCQQGHKQ-CPUCHLNUSA-N 395.341 3.786 0 40 GHAB O=C(N[C@@H]1C[C@H]1c1ccccc1)c1nn(-c2ccccc2C(F)(F)F)cc1O 71827917 XUEBPBYVLKEAPJ-DZGCQCFKSA-N 387.361 3.883 0 40 GHAB Cc1cc(-c2csc(NC(=O)c3ccc(=O)[nH]c3)n2)c(C)n1Cc1ccco1 9709647 RUTVGLJFUSBQLW-UHFFFAOYSA-N 394.456 3.810 0 40 GHAB Cc1cc(CN2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c2ccccc2n1 84083441 FLEGWXGEXNWLPQ-UHFFFAOYSA-N 395.528 3.746 0 40 GHAB CCc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3OC)o2)cc1 20197124 XQGXONSEUGNAPV-UHFFFAOYSA-N 383.473 3.962 0 40 GHAB CN1CCN(Cc2ccsc2)C[C@H]1c1cn2c(-c3ccncc3)cccc2n1 306139574 TUQRFLORADPBKC-NRFANRHFSA-N 389.528 3.947 0 40 GHAB Cc1cccc(COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)c1 56949866 HFVFHZBNYAWYNZ-UHFFFAOYSA-N 390.483 3.849 0 40 GHAB O=C(c1ccc(Br)cc1)N1CCCN(Cc2cccs2)CC1 32914664 VZNOJIDKKQOYPI-UHFFFAOYSA-N 379.323 3.859 0 40 GHAB O=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1ccc(F)cc1 121209708 JAPKTKWRXRNMLR-UHFFFAOYSA-N 381.479 3.770 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3ccc(Nc4cnccn4)cn3)C2)s1 72353332 RLODVFVTRZCVCK-HNNXBMFYSA-N 394.504 3.708 0 40 GHAB O=S(=O)(NCc1ccccc1-n1ccnc1)c1cc(Cl)ccc1Cl 30847675 HOPOZOJEOMUCES-UHFFFAOYSA-N 382.272 3.658 0 40 GHAB Fc1ccc([C@H]2CC[C@H]2c2nc(-c3cnc(OCC(F)F)cn3)no2)cc1 528184193 XWYOLGNYBOVYJJ-CHWSQXEVSA-N 376.338 3.971 0 40 GHAB O=C(O)c1ccc(NCc2ccccc2)c(S(=O)(=O)NC2CCCCC2)c1 217448162 CZILOFVEKAGTQI-UHFFFAOYSA-N 388.489 3.608 0 40 GHAB CN1CCC(Oc2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2)CC1 219218254 PHTKLAONNNCVIX-UHFFFAOYSA-N 393.487 3.539 0 40 GHAB N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 72227322 PKKVKQNBXWEMAA-UONOGXRCSA-N 385.183 3.883 0 40 GHAB COc1cccc(-c2c3c(=O)n([C@@H]4CCCC[C@H]4C)ccc3nc3ncnn23)c1 40398235 GBUVEDYQWHPAJD-RDTXWAMCSA-N 389.459 3.866 0 40 GHAB COc1ccc(CNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 40140214 IHFKVFKATRVGTJ-UHFFFAOYSA-N 383.398 3.578 0 40 GHAB Cc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(Cl)c(F)c1)CC3 49003114 UGCVWTHWJKHAQL-UHFFFAOYSA-N 399.853 3.626 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225268364 HFMUDGXXPVANHM-OAHLLOKOSA-N 399.516 3.576 0 40 GHAB COc1cc2c(cc1C(=O)Nc1cccc(Br)c1)OCCCO2 46077928 NIXFKUAMGMSXJM-UHFFFAOYSA-N 378.222 3.871 0 40 GHAB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)cc1 223373771 RWMOVNYGXLQYPS-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 223151807 QZTLRTPRTFSUTO-GOSISDBHSA-N 390.936 3.986 0 40 GHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(O[C@@H]2CCSC2)nc1 225717508 CYJIZNRVWKREBL-MRXNPFEDSA-N 396.434 3.957 0 40 GHAB COc1ccc(Cl)cc1NC(=O)NCC1CCN(C(=O)c2ccoc2)CC1 77099770 VCDGCPLRXCQORZ-UHFFFAOYSA-N 391.855 3.616 0 40 GHAB Cc1cccc(-c2cncc(C(=O)NC3CCN(c4nccs4)CC3)c2)c1 533007275 BLQDADGKDDOTQI-UHFFFAOYSA-N 378.501 3.912 0 40 GHAB CC(=O)Nc1ccc(CN2C[C@H](OCc3nc4ccc(C)cc4[nH]3)[C@H](F)C2)cc1 96112318 BSJGIDRQYUPQKW-NQIIRXRSSA-N 396.466 3.569 0 40 GHAB biogenic,in-vitro COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C[C@H](C)CC(=O)O 579494785 BFPWGQZHYVTIQG-FZMZJTMJSA-N 384.270 3.622 0 40 GHAB CC(=O)c1ccc(N(C)C(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)cc1 1596400979 KESDAAJSAGYKPZ-KDURUIRLSA-N 380.444 3.557 0 40 GHAB O=C(Cn1ccnc1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257299261 RPIPKXIDFBGMKR-MRXNPFEDSA-N 384.867 3.522 0 40 GHAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCc3cn(C)cn3)c1O)OC2(C)C 257227878 FRIUWFYVJLNZQY-KBRIMQKVSA-N 383.492 3.747 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 260529644 TVMNZHMIRCCKJH-IRXDYDNUSA-N 394.581 3.955 0 40 GHAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 260934992 NWJABBNMPNXQTG-QGZVFWFLSA-N 388.533 3.889 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N3C[C@H](C(C)C)c4ccccc43)ccc21 683651739 VNRRWKBJFGWWNB-HXUWFJFHSA-N 398.528 3.934 0 40 GHAB Cc1ccnc(Nc2cc(NCCNC(=O)Nc3cccc(Cl)c3)ncn2)c1 90607994 OQOGQLLFIVFZHH-UHFFFAOYSA-N 397.870 3.811 0 40 GHAB CN1CCC[C@H](CNC(=O)N[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)[C@@H]1c1cccs1 664214216 WBVQMAARQCXDHX-SIEGYJKXSA-N 399.535 3.908 0 40 GHAB CN1CCc2cc([C@H](O)CNC(=O)C3(c4ccc(Cl)cc4)CCCC3)ccc21 96362474 IOQQWNYZZFPTKU-OAQYLSRUSA-N 398.934 3.994 0 40 GHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC(OCC(F)(F)F)C1 390828259 APVMXYZUYVQJHI-UHFFFAOYSA-N 376.334 3.898 0 40 GHAB CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)sc1Cl 97013985 ADOCFVSFGAOLCV-QMMMGPOBSA-N 395.337 3.583 0 40 GHAB CCN(CC)CCOc1cc2c(cc1OCCN(CC)CC)[C@@H](C)CC(=O)O2 1570003496 UQXUBQDJDRYCOH-KRWDZBQOSA-N 392.540 3.540 0 40 GHAB CSc1ccccc1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 5439575 WREQWEJPHVDUEK-UHFFFAOYSA-N 390.530 3.899 0 40 GHAB COc1ccccc1-n1cccc1CN(Cc1ccc2c(c1)OCO2)C[C@@H](C)O 12118143 HMULMWFPIVUHFO-QGZVFWFLSA-N 394.471 3.598 0 40 GHAB Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)Cc3ccccc3F)CC2)on1 12118346 HWMFWADOKVXRCN-UHFFFAOYSA-N 394.450 3.836 0 40 GHAB CC(C)Oc1ccc(CN2CCc3nc4cc(C5CC5)nn4c(O)c3C2)cc1 12220289 VHBRDLXDZFYVQY-UHFFFAOYSA-N 378.476 3.658 0 40 GHAB CC[C@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 12362806 WTSGQAZJDITBDD-QGZVFWFLSA-N 387.549 3.660 0 40 GHAB Cc1nc(C)n(C[C@H](C)C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)n1 19285963 QCXFKNOSLGIGIM-SMDDNHRTSA-N 375.542 3.777 0 40 GHAB O=C(OCc1cc(-c2ccco2)on1)C1CCN(C(=O)c2cccs2)CC1 19390692 AZSAUDQTSOZHLP-UHFFFAOYSA-N 386.429 3.592 0 40 GHAB Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C(=O)O)o1 7365704 FNJSBBULWXVWTO-SXGWCWSVSA-N 399.428 3.702 0 40 GHAB CCC(=O)N1CCCN(C(C)C)CCCN(C(C)=O)Cc2cc(F)c(F)cc21 643581258 HVXAIKVODNPQTH-UHFFFAOYSA-N 395.494 3.561 0 40 GHAB CSc1ccccc1NC(=O)N1C[C@H]2CCN(Cc3ccnn3C)CC[C@H]2C1 2056223511 PGLHOVCHAZEBLE-CALCHBBNSA-N 399.564 3.518 0 40 GHAB O=C(NC[C@@]1(O)CSCc2ccccc21)Nc1cccc(C(F)(F)F)c1 2087168278 KGZLTXHXPVDWHT-QGZVFWFLSA-N 382.407 3.962 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCCN([C@H]2CCSC2)CC1 1565522616 LSRKZSSSPJVLKS-INIZCTEOSA-N 382.957 3.537 0 40 GHAB O=C(Nc1ncc(-c2ccccc2)s1)c1cccc(N2C(=O)CCC2=O)c1 4176845 RWSUMCYIVQLJMA-UHFFFAOYSA-N 377.425 3.716 0 40 GHAB COc1ccc(C(=O)CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1 4356645 NNGNLXNUKCIIBK-UHFFFAOYSA-N 380.425 3.856 0 40 GHAB O=c1oc2ccc(Br)cc2cc1S(=O)(=O)c1ccccc1F 4484146 JLVNJDHQZTWGDN-UHFFFAOYSA-N 383.194 3.527 0 40 GHAB O=C(c1ccc(N2CCOCC2)cc1)N1CCS[C@@H](c2ccccc2)CC1 206988863 HJHVCDAIXSUPRO-OAQYLSRUSA-N 382.529 3.844 0 40 GHAB COc1ccc(OCCN(C)Cc2c([C@@H]3CCCNC3)[nH]c3ncccc23)cc1 19586156 GIUXJDBIZFHGPF-QGZVFWFLSA-N 394.519 3.549 0 40 GHAB C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)NCCCc4ccccc4)c(O)n1c23 6166779 LSULBJMJYUGLHI-AWEZNQCLSA-N 394.446 3.716 0 40 GHAB Cc1nc(S)sc1CC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 40017345 NOCHLBFLYOYSPP-OAHLLOKOSA-N 392.937 3.575 0 40 GHAB Cc1cc(N2CCSCC2)ccc1NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 50494462 VCTXZJREGOQQTC-QRWLVFNGSA-N 384.501 3.715 0 40 GHAB CSc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 31505709 LROMRWQVPBRGRM-QGZVFWFLSA-N 394.500 3.778 0 40 GHAB CSc1nc(C)c(CCC(=O)N[C@@H](c2cccs2)C2CCCC2)c(=O)[nH]1 32397420 TVJHIAYGWAPGOM-QGZVFWFLSA-N 391.562 3.842 0 40 GHAB O=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 806190 QXVXKJMGNJCQDE-UHFFFAOYSA-N 398.956 3.967 0 40 GHAB O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1nccs1 872543 GQWLEGTWCORAPK-UHFFFAOYSA-N 397.279 3.686 0 40 GHAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c(C)n1C 2616290 NHTRYZOZVMFGAT-HSZRJFAPSA-N 395.503 3.589 0 40 GHAB Cc1nn(C)cc1NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2779024 PELLBGFEKIXNNR-MRVPVSSYSA-N 375.782 3.674 0 40 GHAB CCOc1ccccc1NC(=S)N1CCC(NC(=O)c2ccccc2C)CC1 4857650 IWVAASOWFFCBCL-UHFFFAOYSA-N 397.544 3.985 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 6348230 VFLQHVUDQZKMQP-UHFFFAOYSA-N 381.215 3.747 0 40 GHAB CCSc1nnc2c(n1)O[C@@H](c1ccccn1)N(C(=O)CC)c1ccccc1-2 684640 IHOCIXKYLMLOQP-IBGZPJMESA-N 393.472 3.880 0 40 GHAB CSc1ncc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)n1-c1ccccc1 22643812 UJBMFSAYAQRPTH-UHFFFAOYSA-N 392.484 3.756 0 40 GHAB COc1ccc([C@H](CC(=O)OCc2ncc(-c3ccccc3)o2)NC(C)=O)cc1 23058899 QLDMJBFZCYMNJE-IBGZPJMESA-N 394.427 3.661 0 40 GHAB NC(=O)CSc1nnc(SCc2csc(-c3cccs3)n2)s1 23222912 VIVIHEUJBJGBLE-UHFFFAOYSA-N 386.574 3.593 0 40 GHAB C/C=C/c1ccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)c(OC)c1 23862788 RHINWMVFWHZYGO-HWKANZROSA-N 376.430 3.657 0 40 GHAB O=C(O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 3178753 KJQMJTKIOYXMAZ-UHFFFAOYSA-N 379.743 3.858 0 40 GHAB CCc1ncc2c(n1)CN([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)CC2 106374979 FCGHGMOKCRHVHN-JOCHJYFZSA-N 390.462 3.916 0 40 GHAB O=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCCCC1 12508310 KKERDKIITSCZLB-UHFFFAOYSA-N 398.528 3.992 0 40 GHAB CN1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)c2nc3ccccc3nc21 24923564 WGNDGWHAZXKXBO-UHFFFAOYSA-N 399.454 3.700 0 40 GHAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)CNC(=O)c1cc(C)cc(C)c1 3287827 XHARZSPZONGGJJ-QGZVFWFLSA-N 396.487 3.729 0 40 GHAB O=C(Nc1cccc(CN[C@H](C(=O)N2CCCCC2)c2ccccc2)c1)C1CC1 57825415 YLCDLMXBGCRZRM-QFIPXVFZSA-N 391.515 3.879 0 40 GHAB COc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)N2CCCCC2)cc1 27667772 LOHADAVWONDICA-JOCHJYFZSA-N 382.504 3.726 0 40 GHAB C[C@H](Sc1nc2ncccn2n1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 10074195 JQAOXKDNCAJNSG-UWVGGRQHSA-N 396.303 3.789 0 40 GHAB c1ccc2c(c1)CCO[C@@H]2CNCCCCCNC[C@H]1OCCc2ccccc21 2102020 NEHYCGHZQBAVCX-JWQCQUIFSA-N 394.559 3.964 0 40 GHAB biogenic CCOC(=O)[C@](NC(=O)c1ccccc1)(OCc1ccc(F)cc1)C(F)(F)F 2322771 HPIVOIQGTGSIEG-SFHVURJKSA-N 399.340 3.594 0 40 GHAB Cc1nc(-c2ccc(CNC(=O)c3ccc(CN4CCCC4=O)cc3)o2)cs1 28728921 LWDGJWGLMPIOFZ-UHFFFAOYSA-N 395.484 3.764 0 40 GHAB CCCCCn1c(N)c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc21 2401661 SBCQCGHJGQEQDQ-AWEZNQCLSA-N 382.464 3.693 0 40 GHAB COc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c(OC)c1 2412306 YRVXOLUCGZDTKT-BWSGXRDBSA-N 378.472 3.731 0 40 GHAB Cc1nc(CSCC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)no1 45642148 PDGITSZZZQCXMJ-AWEZNQCLSA-N 388.518 3.975 0 40 GHAB Cc1cnc(C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cn1 11480974 XFNDAJJYJGAIHF-SFHVURJKSA-N 389.455 3.559 0 40 GHAB CCCc1nnc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)s1 48343559 HDGZPBXSICVHCO-OAHLLOKOSA-N 386.521 3.598 0 40 GHAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccc(OC(F)F)cc3)CC2=O)c1C 11508326 CYVZUAIKTJGNDR-INIZCTEOSA-N 388.414 3.574 0 40 GHAB CC(C)N(C(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O)c1ccccc1 3593612 WLYQYCIRCVJYQN-OAQYLSRUSA-N 399.878 3.549 0 40 GHAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(Cc1ccc(F)cc1)C1CC1 12988056 BJCIQAXYHCSKFL-UHFFFAOYSA-N 383.391 3.627 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)C1CCN(c2nc3ccccc3o2)CC1 12921666 OFUYVJMFKHJNSB-QGZVFWFLSA-N 377.444 3.684 0 40 GHAB C[C@@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(-n2cncn2)cc1 9389296 FWWTTZGOVQPBCX-GFCCVEGCSA-N 381.486 3.943 0 40 GHAB CSc1ccc(N2C[C@H](C(=O)Nc3ccc(NC(C)=O)c(C)c3)CC2=O)cc1 13022404 GCVUMHZFGUZSNE-OAHLLOKOSA-N 397.500 3.667 0 40 GHAB CCn1c(SCC(=O)N2CCSc3ccccc32)nnc1-c1ccco1 9378028 WLGZSJMONGKJTR-UHFFFAOYSA-N 386.502 3.789 0 40 GHAB Cc1cc(Cl)ccc1Nc1nc(N2C[C@H](C)O[C@@H](C)C2)nc2c1cnn2C 4374895 LVUFGFYDJHVQFV-STQMWFEESA-N 386.887 3.682 0 40 GHAB Cc1ccc(C(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1 5267769 RYJXECJTXQIWRB-UHFFFAOYSA-N 380.469 3.657 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 4513004 YISRUHFZWHAALV-LBPRGKRZSA-N 376.815 3.869 0 40 GHAB CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)sc2c1CCCC2 4747120 SXGUXYPGMWPZTC-UHFFFAOYSA-N 378.538 3.864 0 40 GHAB COc1cccc(-n2cnnc2SCC(=O)N[C@H](C)CCc2ccccc2)c1 4843736 OZUPMCCRWRQDRP-MRXNPFEDSA-N 396.516 3.506 0 40 GHAB CCCCn1nnnc1COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 6842772 VMSRZYMMSHEPCU-UHFFFAOYSA-N 391.431 3.947 0 40 GHAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=O)NC2=O)cc1 7154774 WTDXZCNEJVVFAH-BOPFTXTBSA-N 377.425 3.872 0 40 GHAB CCOc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1NC(=O)CC 408696397 AYUGAXDKPPQAJI-UHFFFAOYSA-N 382.526 3.825 0 40 GHAB Cc1ccc(OC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(C)c1 15544550 BFGFGYCAJIPPPU-UHFFFAOYSA-N 385.441 3.594 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)Nc1cccc(I)c1 16130796 APIIGAZKGMWQCT-MDZDMXLPSA-N 385.226 3.704 0 40 GHAB CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(Br)s1 7852460 GUHPNKWOTIDKIR-UHFFFAOYSA-N 397.342 3.893 0 40 GHAB C[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccc2c(c1)CCCC2 7833528 UGKUYAUWLAYEHA-HNNXBMFYSA-N 377.440 3.928 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N(C)Cc1ccccc1Cl 7918129 LPGBYZARRGVQAT-INIZCTEOSA-N 387.911 3.532 0 40 GHAB COc1ccccc1-c1nnc(SCCCn2c(=O)[nH]c3ccccc32)o1 8345059 IAGXWRZZFVNGPT-UHFFFAOYSA-N 382.445 3.571 0 40 GHAB CCn1ccnc1[C@H](CCc1ccccc1)OC(=O)CCCCCNC(C)=O 72314160 POWGANSXDNPMNI-FQEVSTJZSA-N 385.508 3.817 0 40 GHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1cccc(COC2CCCCC2)c1 84026895 OPHDNGDXUVCBST-UHFFFAOYSA-N 381.432 3.926 0 40 GHAB Cc1noc(C)c1CSc1ncccc1C(=O)N(C)CCCn1ccnc1C 84025455 AQEMXFSKZADHPT-UHFFFAOYSA-N 399.520 3.646 0 40 GHAB C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H](CO)Cc1ccc(Cl)cc1 78995297 BPRUSJXLFFCTKB-UKRRQHHQSA-N 382.287 3.728 0 40 GHAB COc1cccc2[nH]cc([C@@H](CC(=O)NCc3nc(C)no3)c3ccccc3)c12 95479582 WAPNFXIZXJLRNU-INIZCTEOSA-N 390.443 3.706 0 40 GHAB O=C(CNC(=O)c1ccc(F)cc1)NCCC(c1ccccc1)c1ccccc1 9909890 GOXUQIKHZTWWDF-UHFFFAOYSA-N 390.458 3.894 0 40 GHAB O=C(N[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 89828047 UMIFCJYFTAZKTN-FHLIZLRMSA-N 388.389 3.731 0 40 GHAB Cc1csc(CCNC(=O)CC2(N3Cc4ccccc4C3=O)CCCCC2)n1 1548349067 XYVXJGWUZDMTCZ-UHFFFAOYSA-N 397.544 3.859 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc1Cl 408592909 KSTFSAXKGDTWQO-UHFFFAOYSA-N 380.897 3.896 0 40 GHAB COC(=O)c1cc(NC(=O)CSc2ccccc2NC(C)=O)ccc1Cl 409182900 PUKVCDKFQBMKAJ-UHFFFAOYSA-N 392.864 3.816 0 40 GHAB Cc1cccc(CN2CCN(C)[C@@H](c3ncn4cc(-c5cccnc5)ccc34)C2)n1 306126682 FCBMGVYPTJGNSM-HSZRJFAPSA-N 398.514 3.588 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2C[C@@H]2C)c1 20836067 ZAHNVXRVXVZLPT-YOEHRIQHSA-N 388.489 3.505 0 40 GHAB CCCn1nnc(=NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)[nH]1 408629272 UGKISCAXXPNPMP-GQCTYLIASA-N 392.246 3.724 0 40 GHAB CCCC[C@](C)(O)C/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)OC 39302628 OJLOPKGSLYJEMD-MGUNLYMFSA-N 382.541 3.954 0 40 GHAB in-vitro CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 408707776 LWMYMSVTYHWAEX-GOSISDBHSA-N 396.487 3.542 0 40 GHAB CCCN1CCN(C(=O)C2CCC2)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 72351699 DEIJMHFNNOIMIE-JOCHJYFZSA-N 391.515 3.541 0 40 GHAB COc1ccc(-c2nnn(CSC)c2C(=O)NCc2ccc(C)cc2)cc1 32611858 RGBDCSNVCUPMCO-UHFFFAOYSA-N 382.489 3.513 0 40 GHAB COc1ccc([C@@H](O)CN2CCc3c([nH]c4ccccc34)[C@H]2C)cc1NC(C)=O 36743800 ALVSYFSJMSIEOA-SZNDQCEHSA-N 393.487 3.788 0 40 GHAB Cc1cc(-c2noc(CCCS(=O)(=O)c3ccc(Cl)cc3)n2)ccc1O 566824111 OODBRLAERMTVPB-UHFFFAOYSA-N 392.864 3.811 0 40 GHAB Cc1nc2nc(S[C@@H](C)C(=O)Nc3ccccc3Cl)nn2c(C)c1C 40119195 CERHENXXGKWGGQ-LBPRGKRZSA-N 375.885 3.822 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 222950649 PLPOZYBQPJYTOI-OAQYLSRUSA-N 382.504 3.707 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F 223283619 LSARLLXDDRQJEU-MRXNPFEDSA-N 388.458 3.841 0 40 GHAB Nc1ccc(Nc2ccc(I)cc2)c(C(=O)NC2CC2)c1 225472303 KJYPABMFDULQCG-UHFFFAOYSA-N 393.228 3.509 0 40 GHAB O=C(Nc1ccc(Br)cc1F)c1cc(N2CCCCC2)ncn1 225538254 KZBJZJZGDMWWJF-UHFFFAOYSA-N 379.233 3.621 0 40 GHAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1C 223487151 GYOIQVOQNJJDDY-KRWDZBQOSA-N 388.533 3.807 0 40 GHAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCOCC2)c1 225566452 OTTCGZHRLDQGFJ-UHFFFAOYSA-N 382.504 3.622 0 40 GHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCC1CCCCC1 224119600 QOTJWPRLVUXQBW-UHFFFAOYSA-N 386.517 3.825 0 40 GHAB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 223304075 KSMDJCZYDCPKAO-QXAKKESOSA-N 384.549 3.790 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)c2)c1 223947621 JUCBQMRYSKEMFD-QINHECLXSA-N 384.501 3.714 0 40 GHAB Cc1csc(NC(=O)Cn2cc(-c3cccc(Br)c3)cn2)n1 227164186 GALOGVISLMITLO-UHFFFAOYSA-N 377.267 3.716 0 40 GHAB Cc1cccc(CN(C(=O)COc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c1 224143397 XZNNLYXPNXHEIN-FQEVSTJZSA-N 396.531 3.872 0 40 GHAB Clc1ccc2nc(-c3ccc4c(c3)OCO4)c(I)n2c1 96536903 DWKWHRSVZCLSAC-UHFFFAOYSA-N 398.587 3.988 0 40 GHAB COc1ccc(O[C@H]2COCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)cc1 96113223 BNJHRVIAVPVRGR-GOSISDBHSA-N 395.377 3.634 0 40 GHAB biogenic,in-vitro Cc1cccc(Nc2cccc([C@H]3CN(c4nc(C)cc(C)n4)CCO3)n2)n1 257251297 JQDSGLQSHWPXPT-GOSISDBHSA-N 376.464 3.513 0 40 GHAB O=C(O)c1nn(-c2ccccc2C(F)(F)F)nc1N1CCc2ccccc2C1 256046113 CTTUUVXTBGMGMQ-UHFFFAOYSA-N 388.349 3.547 0 40 GHAB Cc1cnn(CC(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)c1 257227885 FRJPFQOMBKESGD-SFHVURJKSA-N 384.867 3.787 0 40 GHAB Cc1nc(C(=O)N2CCCC[C@H]2[C@@H]2CCCNC2)nn1-c1ccccc1C(C)C 658945114 VWFXMPZCVZSDNP-QUCCMNQESA-N 395.551 3.693 0 40 GHAB COc1ccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)cc1OC 96122962 HOZTUXWINFLKLQ-UHFFFAOYSA-N 389.498 3.911 0 40 GHAB O=C(c1ccc(Oc2nccs2)cc1)N1CC(N2CCc3ccccc3C2)C1 390827634 IJYREKOAUGFHFA-UHFFFAOYSA-N 391.496 3.818 0 40 GHAB COc1ccc2c(c1)OC[C@H](NC(=O)Cc1coc(-c3ccc(Cl)cc3)n1)C2 502881547 OGPQGZHXMBAIFG-MRXNPFEDSA-N 398.846 3.666 0 40 GHAB COc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(C)C 5000728 OYZQLWWZNCPZLO-OVCLIPMQSA-N 381.384 3.556 0 40 GHAB Cc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3cccnc3)CC2)cc1 12089577 GUGDIADIGCKUJS-DEOSSOPVSA-N 391.490 3.933 0 40 GHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)Cc1ccc(C(F)(F)F)cc1 12917138 KWSHPCKMYZZBOU-UHFFFAOYSA-N 394.393 3.744 0 40 GHAB Cc1c(CC(=O)Nc2cccc(Br)c2)c(=O)oc2cc(O)ccc12 13722708 IEUNWDJSBUTIHI-UHFFFAOYSA-N 388.217 3.751 0 40 GHAB COC(=O)c1cc(NC(=S)Nc2ccc(Cl)cc2)cc(C(=O)OC)c1 13798262 ZOPLMTLGAQWCNX-UHFFFAOYSA-N 378.837 3.722 0 40 GHAB CC(=O)Nc1cc2ccccc2cc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C 16046740 ZLKKSRZVPMRZMM-OAQYLSRUSA-N 389.499 3.701 0 40 GHAB CC(C)(C)c1ccc(OCCOC(=O)c2ccccc2NS(C)(=O)=O)cc1 18263422 ICDNRRMPBDXQOQ-UHFFFAOYSA-N 391.489 3.591 0 40 GHAB O=C(Nc1ccccc1OC[C@H]1CCCCO1)[C@H]1CCCN(c2ccccn2)C1 19349964 JBTWYULLUMZOFM-RBUKOAKNSA-N 395.503 3.885 0 40 GHAB O=C(NC1(CN2CCCCC2)CCCCC1)c1ccc(Cn2cccn2)cc1 19406183 CCWZAUJLTXJCET-UHFFFAOYSA-N 380.536 3.850 0 40 GHAB CCc1nccn1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C 19523645 HVLAYBRMWLFVNI-IMSXRSKXSA-N 394.563 3.705 0 40 GHAB Cc1cc(N2CCN(Cc3ccc4ncccc4c3)CC2)cc([C@H]2CCCN2)n1 19698043 PRJYUDMVAQQUMQ-HSZRJFAPSA-N 387.531 3.685 0 40 GHAB COc1ccc(C)cc1C1(CNC(=O)N2CCC[C@H](CCF)C2)CCOCC1 660462541 OVRRFCURBIRWKZ-GOSISDBHSA-N 392.515 3.833 0 40 GHAB Cc1nc2ccccc2c(=O)n1C[C@@H](O)Cn1c2ccccc2c2ccccc21 28920507 QNKGTKNWZLQZTK-QGZVFWFLSA-N 383.451 3.874 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3cc(F)cc(F)c3)C2)CN1c1ccc(F)cc1 2037977968 BFOGAGCNOQBSQL-OAQYLSRUSA-N 390.405 3.502 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3cccs3)s2)c1 4077827 ANKCIJKIQSLIGM-UHFFFAOYSA-N 390.515 3.891 0 40 GHAB CSc1nc2ccc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)cc2s1 4496117 ZDPKWENOEMOURX-UHFFFAOYSA-N 392.527 3.739 0 40 GHAB Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)c1 5136511 PUIBTDUNNITCIW-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2 9170411 ZDJBZYIXSVMYGJ-UHFFFAOYSA-N 390.439 3.955 0 40 GHAB COc1cccc(-c2cc(C(=O)N3CC[C@@H](n4cnc5ccccc54)C3)n[nH]2)c1 575616392 JFDWUNNFVLTSMZ-MRXNPFEDSA-N 387.443 3.522 0 40 GHAB COc1ccc(NC2=N[C@H](c3ccc(F)cc3)N3C(O)=CC(C)=NC3=N2)cc1 19921735 FIQPGKOCHAKNHJ-SFHVURJKSA-N 379.395 3.847 0 40 GHAB CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2)CC1=O 10461975 CCKHBQSLCIWBMZ-GOSISDBHSA-N 393.487 3.834 0 40 GHAB NC(=O)Nc1ccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1 40116306 HTPOZZCKVZWBNQ-UHFFFAOYSA-N 378.407 3.727 0 40 GHAB Cc1ccc(C)c(N2CCN(C[C@@H](O)c3ccc(Br)cc3)CC2)c1 20218800 ZVOIZJCUTUJNLP-HXUWFJFHSA-N 389.337 3.922 0 40 GHAB NC(=O)c1c(NC(=O)CSc2nc3ccccc3s2)sc2c1CCC2 2619646 RJVVPVQRZDFTGV-UHFFFAOYSA-N 389.527 3.676 0 40 GHAB O=C1c2ccccc2C(=O)N1CCSCCCc1nc(-c2cccs2)no1 32778648 KLHTVNVYNHKKKF-UHFFFAOYSA-N 399.497 3.760 0 40 GHAB CCSc1ncc(Cl)c(C(=O)NCCC(=O)Nc2ccc(Cl)cc2)n1 41156119 YIRUGGZCXQYQRM-UHFFFAOYSA-N 399.303 3.654 0 40 GHAB Cc1nn(Cc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)o2)c(C)c1Cl 2781534 MQVRPADAGIFKID-UHFFFAOYSA-N 392.931 3.834 0 40 GHAB C[C@@H]1CCCN(C(=O)CSc2nnc3c4ccccc4nc(C(C)(C)C)n23)C1 4898231 OSZOCINIIUPWJR-CQSZACIVSA-N 397.548 3.926 0 40 GHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc1NC(=O)c1ccco1 4996580 CKPHRZKWOKZPOT-HNNXBMFYSA-N 398.459 3.835 0 40 GHAB CC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2-n2cnnn2)cc1 32933493 TYXGOSCNNJLNKZ-UHFFFAOYSA-N 379.464 3.758 0 40 GHAB CC(C)(C)c1ccc(C2(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1 46424994 WXXLDXCGUNGGMZ-LJQANCHMSA-N 378.520 3.591 0 40 GHAB Cn1nc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1C(F)(F)F 2787686 MUAAZERCFLCOSJ-UHFFFAOYSA-N 378.383 3.637 0 40 GHAB COc1cc2c(cc1C[C@H]1SC(=O)N(c3cccc(Cl)c3)C1=O)OCO2 8114098 HNQXJUPBESIDGK-MRXNPFEDSA-N 391.832 3.888 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1)Nc1cccc(Cl)c1 8413883 ORFFHAKGARNTCY-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)cc1C 8433716 BSSRETWSCVBINI-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB CCOc1ccc(CN(CC)S(=O)(=O)c2ccccc2Cl)cc1OC 22278690 YMQKYMLYHSLEKC-UHFFFAOYSA-N 383.897 3.958 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1O 661777 COYGKVHENJDWKU-OVCLIPMQSA-N 390.798 3.676 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 10840133 RXIDSTIXRPETMG-IUODEOHRSA-N 391.468 3.977 0 40 GHAB O=C(CCC(=O)Nc1ccccc1Br)NCCc1ccccc1 9235243 UWKRHVZAOGHJDH-UHFFFAOYSA-N 375.266 3.527 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)N[C@H]3CCCOc4ccc(F)cc43)ccc21 54385652 LCOXDFWTRFWMJX-SFHVURJKSA-N 383.423 3.770 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2cccc(Cl)c2C)c1 51355982 VIXBQPQCZJFILP-UHFFFAOYSA-N 376.796 3.866 0 40 GHAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1cncn1-c1ccc(F)cc1 24279705 PPMLAVWIQKVABA-UHFFFAOYSA-N 393.418 3.604 0 40 GHAB CCCn1c(CN2CCC(O)(c3ccccc3OC)CC2)nc2ccccc21 57822786 CALNELSCCZHFEX-UHFFFAOYSA-N 379.504 3.939 0 40 GHAB Cc1cc(C)c(OCC(=O)N[C@H](c2cccc(F)c2)c2nccn2C)c(C)c1 12549655 CZGOKMQKUNVBSL-HXUWFJFHSA-N 381.451 3.769 0 40 GHAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 25384810 XDBFEXRCNYKWSL-LJQANCHMSA-N 394.475 3.820 0 40 GHAB Cc1cccc(C)c1NC(=O)CN1CCN(c2nc3ccccc3s2)CC1 25372795 MDAHWNYJHTUDOS-UHFFFAOYSA-N 380.517 3.674 0 40 GHAB COc1ccc(OC)c(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)c1 1509617 GTSDIGDBZWPUKL-GDNBJRDFSA-N 388.217 3.811 0 40 GHAB Cc1ccc(C2(C(=O)N3Cc4cc(C)ccc4OC[C@@H]3CN(C)C)CC2)cc1 100738676 RAFOZNOMTLAQQJ-NRFANRHFSA-N 378.516 3.686 0 40 GHAB COc1ccc(C)cc1N1C2=[N+](CCCS2)C[C@@]1(O)c1ccc(Cl)cc1 3227151 XBTBHFZZRRNYIR-HXUWFJFHSA-N 389.928 3.828 0 40 GHAB Cn1ccnc1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 58439427 WOXZQAQUEMLGAW-UHFFFAOYSA-N 384.411 3.690 0 40 GHAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1 10964459 CYPSLIPTUYWFCI-GFCCVEGCSA-N 378.519 3.579 0 40 GHAB CCCCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 17077403 LIRINILQDRUIHJ-UHFFFAOYSA-N 378.469 3.937 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 12870546 HXXSRHXFQKVMPJ-UHFFFAOYSA-N 396.303 3.757 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3c(F)cccc3F)o2)cc1 3459080 LKBBVMPNPXRCPM-UHFFFAOYSA-N 377.372 3.754 0 40 GHAB COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCC(C)CC2)cc1 13056347 FXWQDZNUMLKKNZ-UHFFFAOYSA-N 381.476 3.618 0 40 GHAB CCOc1cccc([C@@H](C)NC(=O)NCc2ccccc2Cn2ccnc2)c1 63322960 REONIVSWUZOZQU-QGZVFWFLSA-N 378.476 3.891 0 40 GHAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Cl)cc1Cl 4145365 AQNNOWXCTBVFER-CQSZACIVSA-N 385.272 3.817 0 40 GHAB O=C(CSc1cccc[n+]1[O-])N1c2ccccc2OC[C@H]1c1ccccc1 8511156 RJIRFAQDIQBRBK-SFHVURJKSA-N 378.453 3.579 0 40 GHAB CN(C)c1ccc(C(=S)N2CCN(c3nsc4ccccc34)CC2)cc1 13691371 SNCFDEBGKFBCGK-UHFFFAOYSA-N 382.558 3.860 0 40 GHAB CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(Cc2nnc(C3CC3)o2)CC1 69778300 GATMJQZKMYTVDO-SFHVURJKSA-N 389.544 3.522 0 40 GHAB CNc1nnc(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)s1 17980396 NOHZDKOIKXHVHM-UHFFFAOYSA-N 377.520 3.743 0 40 GHAB CC(=O)CSc1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccc(C)cc1 8606698 YAKAIUAFDCQZIG-UHFFFAOYSA-N 386.498 3.899 0 40 GHAB CN(c1ccc(C(=O)CSc2nc3ccccc3s2)cc1)S(C)(=O)=O 5262376 BKYINFGHZRSAMK-UHFFFAOYSA-N 392.527 3.667 0 40 GHAB CCn1c(S[C@@H](C(=O)NCc2ccccc2)C(C)C)nnc1-c1ccco1 14021942 UCMFKEJCSFAADM-QGZVFWFLSA-N 384.505 3.991 0 40 GHAB CC(=O)O[C@H]1[C@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 5384164 KLUTZDJBVDPOFE-UXHICEINSA-N 388.416 3.526 0 40 GHAB biogenic,in-vitro Cc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)C(C)(C)C)cc3C2=O)cc1 4545227 QYVGMQFJMZCAGJ-UHFFFAOYSA-N 379.412 3.568 0 40 GHAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(Cc2ccccc2)CC1 14205175 DXXCXVRHFQZFQZ-UHFFFAOYSA-N 380.879 3.688 0 40 GHAB CSc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3CC(C)C)n2CC(C)C)cc1 6509396 GQZJCPNHDMTABD-UHFFFAOYSA-N 386.521 3.587 0 40 GHAB CCCN1C(=O)[C@@](Nc2cccc(C)n2)(C(F)(F)F)N=C1c1ccccc1 6759198 BBHPWGVDSYCADN-SFHVURJKSA-N 376.382 3.760 0 40 GHAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc2nsnc12 19077075 RFVUBSARLOHMEQ-UHFFFAOYSA-N 399.526 3.916 0 40 GHAB Cc1cc2nc(SCC(=O)N[C@@H](C)c3ccccc3)n(C(C)C)c(=O)c2[nH]1 67299445 QDTGULOROQYDGD-AWEZNQCLSA-N 384.505 3.583 0 40 GHAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 7734890 ROJMUBHJFIHLJI-HNNXBMFYSA-N 389.484 3.897 0 40 GHAB CC(C)[C@H](NC(=O)CCNC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 7943008 YYCKACHEQGCMSK-IBGZPJMESA-N 398.894 3.850 0 40 GHAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 8190732 VDVPKRQQGKEMJB-LBPRGKRZSA-N 384.505 3.663 0 40 GHAB COc1nc(N(C)C)sc1/C=C1/N=C(c2ccc3ccccc3c2)OC1=O 96310817 SSFCAGDKBLOXPC-RVDMUPIBSA-N 379.441 3.715 0 40 GHAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 9582168 BIYSHLCFSMQJAB-HNNXBMFYSA-N 384.501 3.960 0 40 GHAB Cc1cccc(N2N=C(C(=O)N[C@H]3CCSc4ccccc43)CCC2=O)c1 9869100 MJXQDZIYQWQDCY-KRWDZBQOSA-N 379.485 3.831 0 40 GHAB CCOc1ccccc1C1=N/C(=C/C2=Cc3ccc(OC)cc3OC2)C(=O)O1 96939586 INHLLBZMOICAAX-WOJGMQOQSA-N 377.396 3.757 0 40 GHAB COc1ccc2c(C)c(CCC(=O)N3CCC(C(F)(F)F)CC3)c(=O)oc2c1 72303149 LHXUGBZFNDCVOF-UHFFFAOYSA-N 397.393 3.844 0 40 GHAB FC(F)[C@@H](CCc1ccccc1)NC[C@@H](c1cccs1)N1CCOCC1 95467433 AJWRVBOUCYTQQD-MSOLQXFVSA-N 380.504 3.978 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@H]1CCc2nnc(C)n2C1 89562749 UYMPOQJMAMLZCJ-ABAIWWIYSA-N 399.495 3.597 0 40 GHAB CCN(CC)CCNC(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27972086 OCHJOTULIVREJE-UHFFFAOYSA-N 392.503 3.658 0 40 GHAB Cc1ccsc1CN1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccc1 306125904 DFIISWSQUMNZNS-PMACEKPBSA-N 377.513 3.940 0 40 GHAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 62187917 FITPPIBZCSSMNI-UHFFFAOYSA-N 390.244 3.589 0 40 GHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O 409092853 ZTJJQSFMRSPWDC-CNOAHFENSA-N 375.377 3.684 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 33097591 WJIOKUPMQBIWLN-INIZCTEOSA-N 378.259 3.940 0 40 GHAB Cc1c(C(F)(F)F)n[nH]c1C(=O)N(C)Cc1ccc(Br)cc1F 1557838876 CKGMTIQKMPCDQL-UHFFFAOYSA-N 394.166 3.911 0 40 GHAB CCCNC(=O)c1ccc(NC(=O)N[C@@H](C)[C@H](OC)c2ccc(OC)cc2)cc1 536815377 KSJNICJTLHZWRQ-YWZLYKJASA-N 399.491 3.733 0 40 GHAB COc1ccc(-c2cccc([C@H]3CCCN(CC(=O)N4CCCC4)C3)n2)cc1 72348771 AVACYFUFKZZGER-IBGZPJMESA-N 379.504 3.559 0 40 GHAB O=C(C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 39964106 OEBJGSYAZKEWQR-QGZVFWFLSA-N 380.835 3.769 0 40 GHAB CCOc1ccccc1CCCNC(=O)COc1ccc(Br)cc1 218816579 MDFKDOUEXQIGHO-UHFFFAOYSA-N 392.293 3.976 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 39772371 GNHXSOCRMIYHSE-UHFFFAOYSA-N 393.531 3.986 0 40 GHAB Cc1ccc(N(CCCC(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1 219624816 QPYKCYUUGOJWRY-UHFFFAOYSA-N 386.517 3.521 0 40 GHAB COc1ccccc1C1(CNC(=O)CSCc2ccccc2)CCOCC1 42382963 ATBFMYWVXOIWNG-UHFFFAOYSA-N 385.529 3.793 0 40 GHAB CCN1CCN(Cc2ccc(NC(=O)c3cccc(CSC)c3)cc2)CC1 40090079 GWPUIPRQXLOKIE-UHFFFAOYSA-N 383.561 3.939 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCCCC2)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 225888135 VDOLQEMIXSBYAB-IYBDPMFKSA-N 390.601 3.644 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 223194113 GINVCDISERVPTJ-GOSISDBHSA-N 376.859 3.575 0 40 GHAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 223635015 OONHHHHROXTKDR-VQTJNVASSA-N 384.549 3.743 0 40 GHAB Cc1cc(N2Cc3ccccc3C2)nc(NC(=S)NCc2ccccc2)n1 225929126 YTEFYVOFSCFGIT-UHFFFAOYSA-N 375.501 3.792 0 40 GHAB COc1cccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44906845 LMJKEEQFSOORRJ-HXUWFJFHSA-N 384.495 3.795 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1OC(F)F 40088118 OMFWZTMPVQMWGT-MRXNPFEDSA-N 380.322 3.567 0 40 GHAB C[C@@H]1O[C@H](C)[C@@H](NCc2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)[C@@H]1C 528759074 SKWCQOLKLIHBGM-FLMCSSBNSA-N 387.480 3.692 0 40 GHAB COc1ccc(CC(=O)N2CCN(C3CC3)c3ccccc32)cc1OC(F)F 529082909 PBXWDTBPYRDFAE-UHFFFAOYSA-N 388.414 3.855 0 40 GHAB Cc1cc(O[C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)cc(C)c1Cl 225256789 DPOJUTGVEHXJSH-GDBMZVCRSA-N 375.852 3.680 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 224393009 MJZCBTHEMLWCCF-LJQANCHMSA-N 390.886 3.965 0 40 GHAB CCc1cc(=NC(=O)Nc2cnn(C3CCOCC3)c2C)c2ccccc2[nH]1 579210653 JDQNTHHDCVIHFJ-UHFFFAOYSA-N 379.464 3.720 0 40 GHAB O=C(COc1cccnc1)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 257258234 KSXVAJSETDCRKM-IBGZPJMESA-N 381.407 3.542 0 40 GHAB O=C(NCCc1ccc2c(c1)OCCO2)c1cc(-n2cccc2)ccc1Cl 1124739830 YAFHDEIXNRCQEF-UHFFFAOYSA-N 382.847 3.874 0 40 GHAB COc1ccc(-c2nc(C(=O)N=c3cc[nH]c(C)c3Cl)cs2)cc1OC 679920608 AWEUYOJRQJYICJ-UHFFFAOYSA-N 389.864 3.858 0 40 GHAB Cc1cc(O[C@@H]2CCN(C(=O)NCc3cccc4ccccc34)C2)nc(C)n1 585147340 IETVOPDSTNOQLW-LJQANCHMSA-N 376.460 3.610 0 40 GHAB COc1ccc([C@@H](C)NC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1F 44141301 IBXFNFNFPZANCJ-CQSZACIVSA-N 385.439 3.953 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N[C@@H](C)c2ccccc2Cl)cc1 57452187 KHNJKTJMNOHDCV-JKSUJKDBSA-N 387.911 3.785 0 40 GHAB CC[C@@H](Nc1ncnc2ccc(I)cc12)[C@@H]1CCCOC1 1163983847 MGSFEQBOQHMDRL-BXUZGUMPSA-N 397.260 3.852 0 40 GHAB NS(=O)(=O)c1ccc(CNc2cccc(-c3ccc4c(c3)CCO4)c2)cc1 1659415372 WGKVLJSITIEGQA-UHFFFAOYSA-N 380.469 3.548 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1 12765265 MPIQSACBXLNIKR-UHFFFAOYSA-N 390.480 3.573 0 40 GHAB Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 13710849 ITSIMYGRDIXZPL-CLNPQZTCSA-N 378.516 3.928 0 40 GHAB Cc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)cc1 15398233 FIHGOCZPZCHLSP-UHFFFAOYSA-N 398.459 3.968 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)on1 19122129 PHWRFBUTBFOADY-MRXNPFEDSA-N 380.423 3.907 0 40 GHAB CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2)C1 19657344 XGTGZRXYKJLWDG-SJLPKXTDSA-N 379.464 3.552 0 40 GHAB O=C(CN1CCC(Oc2ccccc2F)CC1)Nc1nc2c(s1)CCCC2 19657932 ADOBJNJGBDTJPO-UHFFFAOYSA-N 389.496 3.643 0 40 GHAB CCn1cc(-c2cc(C(=O)N3CCC(Oc4cccc(C)c4)CC3)no2)cn1 19665259 JQMBFLBGPFWMJR-UHFFFAOYSA-N 380.448 3.550 0 40 GHAB O=C(Cc1ccccc1F)N1CC[C@@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19704505 YSXKXZMUUKIVNB-MRXNPFEDSA-N 397.425 3.826 0 40 GHAB O=C(NCC[C@@H]1CCCCN1C(=O)CCc1ccc(F)cc1)c1ccccc1 19749181 YJWNVWLCYNIOIF-NRFANRHFSA-N 382.479 3.960 0 40 GHAB Cc1nnnn1-c1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(F)c1 622960000 UYLYBBQRBZGMPP-UHFFFAOYSA-N 385.830 3.746 0 40 GHAB Cn1ccnc1C[C@H]1CCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 1848353686 UCCOQMNNHZBUSY-GOSISDBHSA-N 375.472 3.850 0 40 GHAB O=C1N(c2ccccc2)CCCC[C@]12CN(Cc1c(F)cccc1F)CCO2 2037984232 UTANQZRCNIEBRI-QFIPXVFZSA-N 386.442 3.753 0 40 GHAB COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)c1 4279488 GFDGUOMKCSLAKP-FQEVSTJZSA-N 395.459 3.587 0 40 GHAB O=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(F)cc1F 12440924 SEPHIZQBHLXJJO-UHFFFAOYSA-N 387.361 3.747 0 40 GHAB CN1CCN([C@@H](CNC(=O)c2ccc3ccccc3c2)c2ccc(F)cc2)CC1 22794848 GTTNQJOLNCFWQY-QHCPKHFHSA-N 391.490 3.697 0 40 GHAB CSc1cccc(NC(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)c1 35423971 KPGURJZZVLZNQO-UHFFFAOYSA-N 392.484 3.937 0 40 GHAB CCOc1ccc(S(=O)(=O)NCc2ccnc(-c3cccs3)c2)cc1F 225653146 RUPMWKNRXZQJJG-UHFFFAOYSA-N 392.477 3.826 0 40 GHAB O=C(NC[C@H](O)c1csc2ccccc12)c1cncc(Br)c1 585148034 ZENOUUIBPDOVCC-AWEZNQCLSA-N 377.263 3.522 0 40 GHAB COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccc(C)cc2)cc1 10336303 ANCHJGZWDILZTQ-UHFFFAOYSA-N 382.485 3.811 0 40 GHAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccn(C)c(=O)c1 40059850 LQMGZERJOIADBF-UHFFFAOYSA-N 376.456 3.627 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105911 VWPCKAONVUWEGG-HSMVNMDESA-N 392.348 3.992 0 40 GHAB O=C(CSc1nc(-c2ccccc2)c[nH]1)N1CCN(Cc2cccs2)CC1 31302435 SJHKCXZFHTXNCR-UHFFFAOYSA-N 398.557 3.575 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 32147259 FGVYIDJETXUNNR-RHSMWYFYSA-N 392.546 3.786 0 40 GHAB Cc1cc(NC(=O)CSCC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)no1 29427148 IOAZCKZBPSUEQO-AWEZNQCLSA-N 375.494 3.656 0 40 GHAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCCCO2 11761144 JXWYZCDFBMNMAQ-UHFFFAOYSA-N 395.242 3.523 0 40 GHAB C[C@H](NC(=O)c1occc1COc1ccccc1)c1ccc2c(c1)CC(=O)N2 46209677 UELMHFXKNUBPRT-AWEZNQCLSA-N 376.412 3.844 0 40 GHAB COc1cccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)c1 841034 MEEKNJOTDYAPPQ-UHFFFAOYSA-N 375.174 3.783 0 40 GHAB Cc1cccc2cc3c(N)c(C(=O)NCc4ccc5c(c4)OCO5)sc3nc12 1342874 MHXSAVZZSVFXPA-UHFFFAOYSA-N 391.452 3.999 0 40 GHAB Cc1ccc2c(c1)c1nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)nc1n2C 1366115 XTWIQHBQDBHINP-HIFRSBDPSA-N 383.521 3.612 0 40 GHAB CC(=O)[C@H]1C[C@H](CC(=O)NC(=O)Nc2ccc(Br)cc2)C1(C)C 3171952 HOWPMEDKYHYTGO-BXUZGUMPSA-N 381.270 3.739 0 40 GHAB Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1-n1cccc1 4518392 XLRADLDNSWTNJZ-UHFFFAOYSA-N 382.276 3.737 0 40 GHAB Cn1ccnc1[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 17521546 VFYVRKAPUCPRAO-MRXNPFEDSA-N 395.406 3.507 0 40 GHAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1CCCN1CCOCC1 21790253 WTBQEYWUATXDMT-UHFFFAOYSA-N 389.908 3.501 0 40 GHAB Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(C)n1CC(F)(F)F 4825267 RHSUILLOELBJOU-UHFFFAOYSA-N 379.338 3.583 0 40 GHAB COc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2N)cc1F 4986830 LGIULNVOFDGYAQ-UHFFFAOYSA-N 394.859 3.664 0 40 GHAB Cc1ccccc1OCC(=O)NC(=S)Nc1cccc(-c2ccc(CO)o2)c1 6256979 WMVIWMBFJOOSDO-UHFFFAOYSA-N 396.468 3.639 0 40 GHAB CC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)N[C@@H](C)c1ccco1 32907173 XMEQYSXFCGMQMV-NSHDSACASA-N 385.445 3.810 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 6946415 RPUXGERTBZSCRI-SFHVURJKSA-N 388.533 3.804 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)NC1CCCCCCC1 7375686 FEAZSKHUFYQDAN-UHFFFAOYSA-N 376.316 3.849 0 40 GHAB Cc1cccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCS2)c1 8414589 VWMYIDYSPWPCGS-UHFFFAOYSA-N 382.485 3.948 0 40 GHAB Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)cs2)cc1 11904275 WINVVVFFNFAHJP-UHFFFAOYSA-N 379.441 3.726 0 40 GHAB Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3C(F)(F)F)c2n1 2784313 NFEMHWGKIMYZJN-UHFFFAOYSA-N 384.308 3.924 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)cc1)C(=O)[C@H]1C(=O)Nc2ccccc21 103445602 JRFSJCQKQFCANB-FQEVSTJZSA-N 386.407 3.509 0 40 GHAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)NN(c3ccccc3)C(=O)[C@@H]12 707120 MZDCFULDBJGKEQ-YCIYHOANSA-N 380.447 3.762 0 40 GHAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(Br)cc1F 18115905 ZLZIAAAUKLXODM-UHFFFAOYSA-N 379.185 3.525 0 40 GHAB Cc1ccc(S(=O)(=O)N2CC(Cc3ccccc3OC(F)(F)F)C2)cc1 71924174 CRUZGOGNXSKWOB-UHFFFAOYSA-N 385.407 3.757 0 40 GHAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(Cc2cccs2)CC1 23736311 XWLMZHDNTILHAC-UHFFFAOYSA-N 392.528 3.769 0 40 GHAB Cc1cc(NC(=O)CN[C@@H](C)c2ccc(F)cc2F)n(-c2ccc(F)cc2)n1 24768271 TUKDCMSWXQRGIR-ZDUSSCGKSA-N 388.393 3.887 0 40 GHAB CCOC(=O)Cn1c(=N)n(CCOc2ccc(C(C)(C)C)cc2)c2ccccc21 20103047 SLMLUOYVRDSZAZ-UHFFFAOYSA-N 395.503 3.862 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1 20143315 OSGFBHKOKAYFEF-UHFFFAOYSA-N 383.400 3.717 0 40 GHAB C[C@@H](NC(=O)CCCc1nc(-c2ccccc2)no1)c1nc2ccccc2[nH]1 12538530 FZOAZGLESDZQLC-CQSZACIVSA-N 375.432 3.813 0 40 GHAB CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](c2ccccc2)C1 25909619 REWAFMCSFCEEFV-QGZVFWFLSA-N 385.316 3.671 0 40 GHAB CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1 12521452 ANBKNACCBYBBMK-UHFFFAOYSA-N 390.509 3.792 0 40 GHAB CC(C)(C)c1ccc2c(Cl)c(C(=O)NCCN3CCOCC3)sc2c1 26688046 PHVXFIBEYDYTQT-UHFFFAOYSA-N 380.941 3.914 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2ccc(F)cc2C)c(Nc2ccc(F)c(C)c2)n1 57507835 BNFPPLKQKOTHGM-UHFFFAOYSA-N 398.413 3.829 0 40 GHAB CC[C@H](NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc(C)cc1 113957437 HXPPUYPLXRJZIZ-YJBOKZPZSA-N 392.496 3.556 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(Cl)c1C)n1ncc(-c2ccccc2)nc1=O 44803992 DTCLDDLDCBUWLG-SFHVURJKSA-N 382.851 3.857 0 40 GHAB CCOC(=O)c1nnc2c(-c3cccc(Cl)c3)c(CC)nn2c1/C=C/N(C)C 22607517 UXVFNPMFGYPBSI-ZHACJKMWSA-N 399.882 3.716 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CNc1cc2c(cc1Cl)OCCO2 10857651 UAKNIKNKIUHNSB-UHFFFAOYSA-N 383.231 3.824 0 40 GHAB C[C@H](C1CC1)N(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccccc1 3362507 PVKHDPAWZXCHNA-CQSZACIVSA-N 397.544 3.575 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)c1 2443410 BVIAXVXEAXNERK-UHFFFAOYSA-N 388.880 3.875 0 40 GHAB Cc1cc2oc(=O)cc(COC(=O)c3cc(=O)[nH]c4ccccc34)c2cc1Cl 11459913 PQHGHUIBZFIGDV-UHFFFAOYSA-N 395.798 3.953 0 40 GHAB O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)N1CCC[C@@H]1c1ccccc1 12893012 QUWQWUCQWWHMDS-QGFLDLQWSA-N 396.512 3.603 0 40 GHAB COc1cccc(Nc2nnc(SCN3C(=O)c4ccccc4C3=O)s2)c1 3439403 XWNGHEPOPXCNKP-UHFFFAOYSA-N 398.469 3.636 0 40 GHAB aggregator CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(OC)c2)c1C 3474725 RSPSHBCGDHBLFJ-UHFFFAOYSA-N 378.428 3.910 0 40 GHAB COc1ccc(CN(C)C(=O)COC(=O)c2ccc3ccccc3c2O)cc1F 39976035 RDHNNMIVCSJJQF-UHFFFAOYSA-N 397.402 3.509 0 40 GHAB CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)s2)c2cc(Br)ccc21 4555034 CQVKVOWNCVLZOH-QGZVFWFLSA-N 394.290 3.646 0 40 GHAB COc1ccc(Cc2nnc3sc(-c4cccc(N(C)C)c4)nn23)cc1OC 8991822 HOSNYQSQULNEJA-UHFFFAOYSA-N 395.488 3.527 0 40 GHAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cc(OC)ccc1OC 4731450 FPGZGXVIRCWXGU-IBGZPJMESA-N 379.416 3.515 0 40 GHAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccccc1 6889825 JGKXOHKIJQYAMB-NTCAYCPXSA-N 398.528 3.581 0 40 GHAB Cc1cccc(C)c1NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 4932761 FZBHAJKZJJAFHM-UHFFFAOYSA-N 375.354 3.614 0 40 GHAB Cc1cccc2c(=O)[nH]c(CSc3nnc(-c4ccccc4Cl)n3C)nc12 7022018 XKIWWRLSTVWVOJ-UHFFFAOYSA-N 397.891 3.973 0 40 GHAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5nccs5)c4ncn3n2)cc1 9305037 GGGHKCVILIGBJX-UHFFFAOYSA-N 376.445 3.817 0 40 GHAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)[C@@H]1COc2ccccc2O1 8134496 FMJBAJYTFFPCEM-INIZCTEOSA-N 395.415 3.980 0 40 GHAB C[C@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1cccs1 8132925 HDBKCCWJUAMPQC-ZDUSSCGKSA-N 395.513 3.847 0 40 GHAB CC(C)Oc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408706921 FEGCACBRZHLMBF-INIZCTEOSA-N 386.879 3.797 0 40 GHAB CCOC(=O)c1ccc(NC(=O)N(Cc2ccc(O)c(OC)c2)C2CC2)cc1 69350133 FTBIEFJJNKTPEV-UHFFFAOYSA-N 384.432 3.774 0 40 GHAB O=C(Nc1cccnc1-n1cc(Br)cn1)c1cc(F)c(F)c(F)c1 72402832 USTYKCQZJFZQBE-UHFFFAOYSA-N 397.154 3.699 0 40 GHAB C[C@@H]1CCN(C(=O)COC(=O)c2c(O)cc(F)cc2F)c2ccccc2S1 95389753 SUNDCNBJUPUXBH-LLVKDONJSA-N 393.411 3.745 0 40 GHAB Cc1cccc(C)c1-n1nnnc1CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 95399453 OESZQXPNCKFVHG-SFHVURJKSA-N 393.466 3.513 0 40 GHAB O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cn(Cc2cccc(F)c2)nn1 95981482 IWAUMLAHBWUKPN-UHFFFAOYSA-N 381.194 3.730 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2cccs2)cc1 9996214 XHPLBIVYXIIMSJ-GFCCVEGCSA-N 388.518 3.945 0 40 GHAB Cc1ccc(C)c(N(CCCC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1 408706388 KQGDOQXXKDAKIP-UHFFFAOYSA-N 392.565 3.856 0 40 GHAB O=C(CCc1cccc(Cl)c1Cl)NC1CCN(C(=O)c2ccco2)CC1 32924480 JZDNTXGWAAVFCV-UHFFFAOYSA-N 395.286 3.940 0 40 GHAB COc1ccc(CCCNC(=O)Cc2cccc(Br)c2)cc1OC 125116291 QMMMAZQMOAHJDO-UHFFFAOYSA-N 392.293 3.758 0 40 GHAB COc1ccc(C(=O)N2[C@@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)cc1 71980418 AUWXPVCLTREYIS-FIWNRLKKSA-N 375.465 3.553 0 40 GHAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2F)cc1 36621196 BOHHFEZFVNVUCU-GOSISDBHSA-N 376.453 3.700 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N[C@H](CC(C)C)C(=O)O)c(C)c3cc12 6452242 LWULNBKBMJODHO-QGZVFWFLSA-N 399.443 3.622 0 40 GHAB biogenic Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 216414922 VXEINOIJBHBFHT-UHFFFAOYSA-N 378.881 3.884 0 40 GHAB Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2CCOCc2ccccc2)ccn1 72357469 LACCEMMZDYVVJB-HXUWFJFHSA-N 377.492 3.798 0 40 GHAB C[C@@H]1CCCN(Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C1 38836088 GSWVZUOEOVWGCB-HXUWFJFHSA-N 377.532 3.881 0 40 GHAB O=C(CN1CCC(c2cccc(Cc3ccccc3)n2)CC1)Nc1ccccn1 72349543 DLYDNFQLDHATRU-UHFFFAOYSA-N 386.499 3.886 0 40 GHAB O=C1C[C@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N2N=CNC2=N1 38180718 MJNMNHHPJKJSRM-MRXNPFEDSA-N 389.242 3.748 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H]2c2cccc(Nc3nc(C)c(C)s3)n2)cn1 72375306 GLCRYDUWMZILNG-KRWDZBQOSA-N 394.504 3.974 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 224980115 LOQIFZHCZGHPMY-GOSISDBHSA-N 382.504 3.571 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(F)cc2F)cc1 48341522 SOEORXYEYNMNLX-AWEZNQCLSA-N 382.476 3.846 0 40 GHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C 224091060 FFKMYAIBTLIJBD-LJQANCHMSA-N 396.531 3.785 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCN2CCC(C)CC2)c1 225436673 LQGAFECNIFENGF-UHFFFAOYSA-N 383.945 3.535 0 40 GHAB CCCSc1nnc(NS(=O)(=O)c2cc(Cl)ccc2OC)s1 222639543 LCZWLGVRHPFDHK-UHFFFAOYSA-N 379.916 3.503 0 40 GHAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1F 225452906 BEPRVJYGJGZCGV-OAQYLSRUSA-N 384.495 3.744 0 40 GHAB Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2csc3ccccc23)cc1Cl 225698399 MWDYLBOTIBVKKO-MRXNPFEDSA-N 388.876 3.651 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 223012350 YQUVNFPIMDWKRK-LJQANCHMSA-N 390.886 3.883 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCc3ccccc32)c1 223941065 GDVHIMUUROEQOS-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB CCOc1cccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 222572570 HLJOBURUDAPDRA-UHFFFAOYSA-N 388.489 3.576 0 40 GHAB Cc1ccccc1N(CCCC(=O)N1c2ccccc2C[C@@H]1C)S(C)(=O)=O 225427188 UXYBMHNDRUGBQV-KRWDZBQOSA-N 386.517 3.519 0 40 GHAB CN(C)c1ncc(-c2cc(C(=O)NC3CCCCCC3)n(CC3CC3)c2)cn1 96037658 ISQZTYYYIRQWIN-UHFFFAOYSA-N 381.524 3.874 0 40 GHAB C[C@@H](NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1)c1ccc(F)cc1 245237743 UMIQUGUBAKCTMD-CRAIPNDOSA-N 376.497 3.746 0 40 GHAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@H](O)CN1CCO[C@@H](c2ccc(F)cc2)C1 245265700 HCTQBABQZRDQQK-BDKRGJGYSA-N 389.511 3.569 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCCC[C@@H]2N(C)CCC[C@@]21C 257265241 LXVNDBRKDGXFDH-UWJYYQICSA-N 384.549 3.993 0 40 GHAB O=C(NCc1cccnc1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257296070 RBCILGCWKUZVDZ-UHFFFAOYSA-N 387.483 3.799 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N2CCc3ccccc3C2)[C@@H]1c1cccc(OC)c1 257308208 TVVUNOFNVJVTHT-GGAORHGYSA-N 392.499 3.580 0 40 GHAB Cc1cc(Nc2cnccn2)cc(C2CCN(C(=O)c3scnc3C)CC2)n1 257308758 TXZGLUYEAZKBJI-UHFFFAOYSA-N 394.504 3.708 0 40 GHAB CC[C@H](CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)C(=O)O 1609919581 NMIFCSNROCIWOO-CQSZACIVSA-N 379.412 3.609 0 40 GHAB O=C(c1ccccc1C(F)(F)F)N1CCC(NCc2cnc(C3CC3)o2)CC1 628240518 IPDNTEFBOCBIRL-UHFFFAOYSA-N 393.409 3.965 0 40 GHAB COc1c(-c2nc3ccccc3c(=O)n2N)cc2ccccc2c1Br 575415008 GQERCYPFMGIHIS-UHFFFAOYSA-N 396.244 3.702 0 40 GHAB Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc2c(c1)NC(=O)CO2 684561547 GKJTUUVTTZHBPJ-UHFFFAOYSA-N 383.791 3.887 0 40 GHAB O=C(c1cncc(Br)c1)N1CCC(c2ccc3cccnc3n2)CC1 655265153 HWVSDUMGGNNHBQ-UHFFFAOYSA-N 397.276 3.807 0 40 GHAB Cc1c(/C=C/C2=Nc3ccccc3[C@H](O)N2CCCO)c2ccccc2n1C 5042779 NHGBQRAMMNBYIA-OTOIZHKDSA-N 375.472 3.919 0 40 GHAB CC(=O)OC[C@@H](COCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC(C)=O 5383238 VQZBBZOTLKZJRI-QGZVFWFLSA-N 394.508 3.999 0 40 GHAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(SC)cc2)cc1 5866898 RWCRAHRXEWYLSW-GOSISDBHSA-N 383.473 3.684 0 40 GHAB Cc1cccc(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2C)c1C 11689882 NSLSPIVABQHLIW-UHFFFAOYSA-N 387.896 3.972 0 40 GHAB CC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O 13711402 OSTVIHPKLOYLEZ-MRXNPFEDSA-N 384.860 3.662 0 40 GHAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 14467537 IIMJUMAYKCNBHU-QGZVFWFLSA-N 388.423 3.618 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2csc(C)c2)on1 19122431 GUOWMZQFWGIRIJ-MRXNPFEDSA-N 397.504 3.853 0 40 GHAB Cc1ccc2c(c1)cc(C(=O)Nc1nnc(CCn3nc(C)cc3C)s1)n2C 19655346 GNGOXFKOHYSCMH-UHFFFAOYSA-N 394.504 3.647 0 40 GHAB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 8159866 VLAUOLBCIJNHCM-RQZCQDPDSA-N 395.396 3.712 0 40 GHAB Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(C)s3)C2=O)cc1 8372458 LCRRZMNDLANMOW-SXGWCWSVSA-N 386.498 3.718 0 40 GHAB CNC(=O)c1sc2ncccc2c1C1CCN(Cc2scnc2C)CC1 643914156 MUWGISBJIOOPNC-UHFFFAOYSA-N 386.546 3.800 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cs1 12255996 NHUFVHWHANSNDK-ZDUSSCGKSA-N 397.475 3.863 0 40 GHAB CC[C@H](C)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 3313882 XLTNDJREKVTSSI-NPMXOYFQSA-N 391.471 3.532 0 40 GHAB O=S(=O)(Cc1noc2ccccc12)NCc1ccnc(-c2cccs2)c1 244933143 CDGWOYTUWALLOG-UHFFFAOYSA-N 385.470 3.571 0 40 GHAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)C4[C@H]5CCCC[C@H]45)CCO3)n2)s1 2037834680 BWMPYNKIEKIKSB-ZOBUZTSGSA-N 398.532 3.926 0 40 GHAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 6659089 UUCODKWPSHWMDJ-UHFFFAOYSA-N 376.478 3.752 0 40 GHAB Cc1ccc(Cl)c2sc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)nc12 10252818 MOTJQJILLNWURG-UHFFFAOYSA-N 394.905 3.843 0 40 GHAB COc1ccc(C2(CNC(=O)C(=O)Nc3ccc(F)c(F)c3)CCCC2)cc1 21691488 SSYMYAOZALBJKK-UHFFFAOYSA-N 388.414 3.540 0 40 GHAB Cn1nc(NC(=O)c2cccc(Cl)c2)c2c1NC(=O)C[C@H]2c1ccccc1 35597861 XNOVGVAEVMJXEX-HNNXBMFYSA-N 380.835 3.800 0 40 GHAB O=C(c1cc(-c2cccs2)on1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220764410 XEKNCHDHZHOYTC-LBPRGKRZSA-N 384.461 3.758 0 40 GHAB O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1cc2ccccc2s1 225620627 MHYHZVDTNZQSKA-UHFFFAOYSA-N 379.485 3.579 0 40 GHAB O=C(NCc1ccc(F)cc1)NCC1CCN(C(=O)Oc2ccccc2)CC1 43983929 GSBSFRWRTLLDPW-UHFFFAOYSA-N 385.439 3.536 0 40 GHAB O=S(=O)(NCC[C@@H](O)c1cc2ccccc2o1)c1ccc(C(F)(F)F)cc1 96097299 TXFZQCBRRJOCGC-OAHLLOKOSA-N 399.390 3.854 0 40 GHAB Cn1ccnc1COc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 40119432 HFIZMORUWHMWTQ-UHFFFAOYSA-N 379.435 3.943 0 40 GHAB COc1ccc(-c2nc(CS(=O)(=O)C34CC5CC(CC(C5)C3)C4)no2)cc1 40152179 AUIHDYATSRGIJF-UHFFFAOYSA-N 388.489 3.629 0 40 GHAB COC(=O)c1c(NC(=O)CCc2cc(OC)ccc2OC)sc(C)c1C 30865693 ZFWDWLNQIAXKES-UHFFFAOYSA-N 377.462 3.740 0 40 GHAB COc1cccc(CNC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 30982494 GWRVCGIGGMQYSQ-UHFFFAOYSA-N 393.409 3.746 0 40 GHAB CSCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1ncc(C)s1 20724614 SKIYHNJRTDNKNM-ZDUSSCGKSA-N 389.502 3.688 0 40 GHAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H]1c1nnc2n1CCCCC2 46335321 SGYJPIBSLXNJPH-IBGZPJMESA-N 375.476 3.773 0 40 GHAB O=C(CCN1C(=O)COc2ccccc21)Nc1cc(Cl)cc2cccnc12 32753685 WEALHLZFAKSGBE-UHFFFAOYSA-N 381.819 3.642 0 40 GHAB O=C(CSc1nnc(COc2ccccc2Cl)o1)NC1CCCCC1 3364868 MKHXTWABBGTXHE-UHFFFAOYSA-N 381.885 3.843 0 40 GHAB Cc1nc(C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)nn1-c1ccc(F)cc1 21732655 NAVWBAGHWSOLIY-JTQLQIEISA-N 399.407 3.744 0 40 GHAB CN1CCN(C(=O)c2csc(Cc3ccccc3)n2)[C@@H](c2ccccc2)C1 32941263 WBAQGSVCACANQL-HXUWFJFHSA-N 377.513 3.863 0 40 GHAB CCCCCOC(=O)O[C@@H](C)CNC(=O)[C@@H](C)OC(=O)OCCCCC 4403991 ZHNDTAJAVNKQMY-LSDHHAIUSA-N 375.462 3.566 0 40 GHAB CCCc1nnc(S)n1CC(=O)NCc1cccc(Oc2ccccc2)c1 32925288 RYPYBTXHBFPNAN-UHFFFAOYSA-N 382.489 3.628 0 40 GHAB COc1ccc([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)c(OC)c1 4944712 JAHKFOMHYOVKSM-INIZCTEOSA-N 399.830 3.689 0 40 GHAB NC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCC2 2759747 LLHMEHBBTDETTR-UHFFFAOYSA-N 385.272 3.660 0 40 GHAB Cc1nn([C@H](C)C(=O)N(C)C23CC4CC(CC(C4)C2)C3)cc1Br 6527466 LKUUVOXRBGKBTG-QLFDAEIZSA-N 380.330 3.942 0 40 GHAB CCn1c(CSc2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 6589259 BKLZTBPGCULCAF-UHFFFAOYSA-N 393.509 3.738 0 40 GHAB COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1Oc1nc(Cl)ncc1F 6606444 JVUGFCFHPPKAIU-UHFFFAOYSA-N 398.781 3.974 0 40 GHAB C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(F)cc3)c2)C1 6680892 IVGYWFJRETXFOU-GFCCVEGCSA-N 382.482 3.560 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)c(C)c1 7218865 AKCOMLDTHDHAKT-UHFFFAOYSA-N 380.897 3.524 0 40 GHAB COc1ccccc1OC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7928814 XASGSWXVJXGLGN-NSHDSACASA-N 380.227 3.961 0 40 GHAB Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)NCc3ccncc3)cc12 12324657 IGKDNZWTLLLWQZ-UHFFFAOYSA-N 380.444 3.533 0 40 GHAB CSc1ccccc1NC(=O)[C@H](C)N1CCN(Cc2ccsc2)CC1 23263653 QKJVYDLOXQJZKK-HNNXBMFYSA-N 375.563 3.615 0 40 GHAB CN(C)CCCNc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CCCC3 12409661 WFOCMXQZMHKCCA-UHFFFAOYSA-N 396.520 3.841 0 40 GHAB Cc1ncsc1CCOC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 42619980 LJNQIGPJBNDBPK-AWEZNQCLSA-N 382.894 3.694 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)[C@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21 100124655 ORISSLNKJICDTB-IXIDGUMOSA-N 391.467 3.933 0 40 GHAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(O)cc2)c1 1263577 CUMOMUCMIBYPKM-HXUWFJFHSA-N 384.391 3.952 0 40 GHAB COC(=O)c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc(C(=O)OC)c1 1752685 ZJNRUMKJSFZYPC-UHFFFAOYSA-N 396.321 3.923 0 40 GHAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)C(=O)[C@@]4(C)CC[C@@H]32)C1 118930668 RWUHRLQWZKUBTF-RTUCGJEGSA-N 388.504 3.992 0 40 GHAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 3266637 JSNXAJFYWNGJLJ-UHFFFAOYSA-N 399.424 3.987 0 40 GHAB COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(Cl)cc4)c(=O)n3n2)cc1 27022209 OUMUIWLPWJRIDH-PWFSRHFBSA-N 395.871 3.531 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1)n1ncc(-c2ccc(OC)cc2)nc1=O 44804305 XCGCQTMXJKYHQX-SFHVURJKSA-N 398.850 3.557 0 40 GHAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)NC[C@@H]3CCCO3)s2)cc1C 10212292 DKGTXIYEIRULLT-HIFRSBDPSA-N 392.550 3.674 0 40 GHAB Cc1noc(-c2ccc(C(=O)O[C@H](C)C(=O)c3c[nH]c4ccccc34)cc2)n1 22829728 LZRUSUJPYDCOMT-GFCCVEGCSA-N 375.384 3.955 0 40 GHAB CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c3c(sc21)COC(C)(C)C3 2237277 RHGHNLQNCVFEPW-UHFFFAOYSA-N 390.892 3.739 0 40 GHAB CCN(CC)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 12607214 UXOLRUQMSSEEBO-INIZCTEOSA-N 381.476 3.533 0 40 GHAB CC(C)N(C(=O)CSc1nnc(N2CCCC2)n1C1CC1)c1ccccc1 11375060 FBDAKAXDHDSAFQ-UHFFFAOYSA-N 385.537 3.747 0 40 GHAB COc1ccc(CNC(=S)NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 3329205 LKGPRKXLNCUVRI-UHFFFAOYSA-N 398.406 3.527 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)NCc3nc4ccccc4s3)o2)cc1 24588922 WDZDNSVOLYXGOW-UHFFFAOYSA-N 378.457 3.904 0 40 GHAB Cc1ccc(CN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c(C)c1 12890396 XJYZUUQIEXKJHD-UHFFFAOYSA-N 395.528 3.681 0 40 GHAB Cc1cccc(C(=O)NCCC(=O)Nc2ccnn2Cc2ccccc2Cl)c1 12811230 AQIBSNUJNMHEJP-UHFFFAOYSA-N 396.878 3.652 0 40 GHAB COc1cccc(CN(C)Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1OC 3415440 AVGHJYQBSZHOQZ-UHFFFAOYSA-N 399.516 3.513 0 40 GHAB C[C@H]1c2cccn2CCN1C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 48539016 LIOPKQMFONBTOT-OAGGEKHMSA-N 386.471 3.850 0 40 GHAB O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3598451 CJHOSRKIMVEYTJ-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB CCC[C@@H](C)NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 12973235 PBDWPVQKAGPWPD-LLVKDONJSA-N 378.826 3.774 0 40 GHAB COCCN(CC(=O)Nc1ccc(Br)cc1C)Cc1ccccc1 12984374 MPEHYAXHMZFLQW-UHFFFAOYSA-N 391.309 3.845 0 40 GHAB Cc1cccc(NC(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)n1 8747530 SVNZSFRXSWDBLJ-LBPRGKRZSA-N 388.518 3.565 0 40 GHAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)NC1CCCCC1 21112930 PDRKRECPEDQCTF-UHFFFAOYSA-N 380.901 3.578 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1 13549389 JDGONMNNYHTKNM-KRWDZBQOSA-N 377.444 3.667 0 40 GHAB CCN1CCN(Cc2c(-c3ccccc3)nc3ccc(OC)cc3c2O)CC1 19793420 ZHVVTEYPPPJCNL-UHFFFAOYSA-N 377.488 3.754 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 22330480 XARVFOUEAJWPFT-OAHLLOKOSA-N 394.924 3.600 0 40 GHAB C[C@@H](OC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1)c1ccccc1 39983200 OMPFCXGYISMVCF-GDBMZVCRSA-N 376.499 3.884 0 40 GHAB C[C@@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 5279009 RVHOEBOKIDOQQC-CYBMUJFWSA-N 378.444 3.921 0 40 GHAB CC(=O)N(c1nc(COC(=O)c2cnccn2)cs1)c1c(C)cc(C)cc1C 6486154 OGCWHGYQYWJPPK-UHFFFAOYSA-N 396.472 3.900 0 40 GHAB CCOc1cc(NC(=O)c2ccccc2OC(F)F)c(C(=O)O)cc1OC 6588610 LLYHJYPMMPFHJJ-UHFFFAOYSA-N 381.331 3.646 0 40 GHAB CC[C@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@@H](C)C3 6541766 DYRFLNZLUPBWPE-NEPJUHHUSA-N 393.578 3.610 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2nn(C)c3nc4ccc(C)cc4cc23)c1 5500845 IULSRSGPMMQEAS-UHFFFAOYSA-N 376.416 3.699 0 40 GHAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCO2 5551692 RKPLBNMVBOMEEY-IBGZPJMESA-N 388.423 3.915 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)c1 4785218 IIKCRGXZXCWMAC-SFHVURJKSA-N 396.468 3.579 0 40 GHAB Cc1cc(I)ccc1NCC(=O)Nc1ccccc1C 5687982 MPWLYVLEMWLQJE-UHFFFAOYSA-N 380.229 3.959 0 40 GHAB CC(C)COc1ccc(C(=O)N/C(=C\c2ccc(OC(C)C)cc2)C(N)=O)cc1 4844058 XKFPFUDMALBACK-BKUYFWCQSA-N 396.487 3.765 0 40 GHAB CCOc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)c1 5809209 IMKDEWWPDORNDG-UHFFFAOYSA-N 382.489 3.517 0 40 GHAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCC2)C(=O)Nc1ccc(Cl)cn1 4979588 NSRKAYCVESZSFF-GFCCVEGCSA-N 395.846 3.956 0 40 GHAB CN1CCc2c(sc3ncn4nc(COc5ccc(Cl)cc5)nc4c23)C1 20566617 MWZDSILLKGWJGF-UHFFFAOYSA-N 385.880 3.559 0 40 GHAB CCC(CC)NC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)C 7779373 BERFLAFMYPCTQR-HNNXBMFYSA-N 395.352 3.601 0 40 GHAB O=C(NC(=S)Nc1ccc2nc(O)[nH]c2c1)c1cc(Cl)ccc1Cl 408627597 MEJCZKQRVCYETN-UHFFFAOYSA-N 381.244 3.702 0 40 GHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCC12CC3CC(CC(C3)C1)C2 7804517 QJWJJCXQWZPLKP-UHFFFAOYSA-N 379.504 3.578 0 40 GHAB C[C@@H](Nc1ccc(N2CCCCCC2)cc1)C(=O)NCc1ccc2c(c1)OCO2 8135907 DSMAYHVSSCCJDQ-QGZVFWFLSA-N 395.503 3.913 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)NCCCN2CCCC[C@H]2C)c1 8351317 BXNVZWPIKRJIIG-MRXNPFEDSA-N 385.508 3.865 0 40 GHAB O=C(c1cccc(-n2cnnn2)c1)N1CCc2sccc2[C@@H]1c1cccs1 9549906 DSWBDENIERIDOJ-GOSISDBHSA-N 393.497 3.573 0 40 GHAB CC(C)(C)SCCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 113957133 LFRUIFSIMKFAMW-UHFFFAOYSA-N 398.594 3.513 0 40 GHAB CCOCCCNC(=O)CSc1nnc(Nc2ccccc2Cl)s1 9721639 RACJYRSTGZKZSB-UHFFFAOYSA-N 386.930 3.570 0 40 GHAB Cc1oc(-c2ccccc2)nc1CN1CCCc2c(NS(C)(=O)=O)cccc21 84052761 FHUFHZDFPFMHET-UHFFFAOYSA-N 397.500 3.974 0 40 GHAB COC(=O)c1ccc([C@H]2SCC(O)=Nc3c2c(C)nn3-c2ccccn2)cc1 79495429 IKWUTZADATUJLS-GOSISDBHSA-N 394.456 3.787 0 40 GHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)C1(C)C 84671147 YURIASFTNUZNFA-YOEHRIQHSA-N 378.538 3.940 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc(N)nc2CC(C)C)cc1 89284928 HHPLRDVHOVSVOV-GFCCVEGCSA-N 375.494 3.670 0 40 GHAB O=C(C(=O)N1CCCC1)c1cn(CCOc2ccc(F)cc2)c2ccccc12 408566652 FXAKENXWXYNGNA-UHFFFAOYSA-N 380.419 3.665 0 40 GHAB O=C(COc1ccc(I)cc1)NCCC1=CCCCC1 20890493 ALKIRGCIYVMBKC-UHFFFAOYSA-N 385.245 3.677 0 40 GHAB O=C(NCC1CCCCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1 68324574 WYEWMJLEANBAKS-UHFFFAOYSA-N 378.519 3.859 0 40 GHAB O=C(Nc1ccccc1F)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1 32074215 SFYJZYCRWDEVNH-UHFFFAOYSA-N 377.350 3.916 0 40 GHAB COc1ccc2[nH]cc(CC(=O)N(C)CCCc3nc4ccccc4[nH]3)c2c1 68244500 PBCXTJOIKOWQAL-UHFFFAOYSA-N 376.460 3.687 0 40 GHAB CC(=O)c1ccc(NC(=O)CCSc2cc(C(N)=O)c3ccccc3n2)cc1 32907163 HOOMVTXCRIMHPJ-UHFFFAOYSA-N 393.468 3.657 0 40 GHAB COc1ccc([C@@H](C)NC(=O)N2CCCN(c3ccccc3)CC2)c(C)c1OC 513426676 KSHHZHOFFFLUEJ-GOSISDBHSA-N 397.519 3.995 0 40 GHAB Cc1cc(=O)c(OCC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)co1 524734906 HXPMTPQWMWWUFG-UHFFFAOYSA-N 381.413 3.571 0 40 GHAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN([C@H](C)Cc2ccc(F)cc2)C1 72395782 BNBNWBMDHVTXPC-WAIKUNEKSA-N 382.479 3.586 0 40 GHAB Cc1cc(Oc2ccccc2C)nc([C@H]2CCCN2C(=O)C2CCOCC2)n1 72384280 SJSZCPNZYJGQNM-GOSISDBHSA-N 381.476 3.976 0 40 GHAB Cc1ccc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)o1 36734284 LTQUXMGWIFTPDE-GCJKJVERSA-N 399.510 3.898 0 40 GHAB CC(=O)N1CCC(N2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)CC1 72358187 QXNNGLKUGZQYHO-QHCPKHFHSA-N 381.495 3.959 0 40 GHAB Cc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 225189129 QQGIUYGPBQEDTE-SFHVURJKSA-N 388.533 3.659 0 40 GHAB CCc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 220288032 CZFDRFWDICPKTP-IRXDYDNUSA-N 388.533 3.589 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(C)C)cc2)cc1 223978426 BQJXHGYDZJFVRM-UHFFFAOYSA-N 392.546 3.791 0 40 GHAB CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(Cl)s1 225706088 MXJRFGBFBVBDGU-HNNXBMFYSA-N 385.938 3.946 0 40 GHAB CC[C@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(OC)c(OC)c1 223155649 FUGQQALRHYYKFN-KRWDZBQOSA-N 393.505 3.759 0 40 GHAB CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2ncnn21 40486503 IRHKFKWXOSPTJW-FQEVSTJZSA-N 389.459 3.913 0 40 GHAB O=S1(=O)CCCN1c1cc(N[C@H]2CCC[C@H](c3cccnc3)C2)ccc1F 569744444 MZDGNVCKOIPSFD-RDJZCZTQSA-N 389.496 3.899 0 40 GHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1cccc(OC)c1 225152930 LATYUQMGAZJWKF-QFIPXVFZSA-N 383.488 3.927 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)ccc1Cl 223890861 WUGRAROWRSFOAJ-ZDUSSCGKSA-N 381.881 3.783 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 223681014 PWVXEWTWBOCIGD-IBGZPJMESA-N 382.504 3.544 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C 224586578 YVIMJFXKDMRTSV-QFIPXVFZSA-N 396.531 3.798 0 40 GHAB CC[C@H](C(=O)NCCC1=CCCCC1)N(c1cccc(C)c1)S(C)(=O)=O 220505347 INTVDIOQOMWMBT-LJQANCHMSA-N 378.538 3.546 0 40 GHAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225267464 WOAUZGZSZKQATF-HNNXBMFYSA-N 399.516 3.576 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC2(CC1)OCCCO2 77191733 XUEVNTWZJBNABE-UHFFFAOYSA-N 376.840 3.673 0 40 GHAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)c3ccccc3F)CC2)c2ccccc21 96242040 AXSFDOIKSYRUQI-KRWDZBQOSA-N 394.490 3.965 0 40 GHAB CC(C)n1nnc(-c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)n1 96231503 JSLGUMDTAPISTJ-UHFFFAOYSA-N 391.460 3.692 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)ncn1 257204791 AWHPCGDDXOHXAL-INIZCTEOSA-N 394.450 3.982 0 40 GHAB CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)Cc1ccccc1 257276385 NTLVXBVHDAALOR-RJGXRXQPSA-N 376.500 3.972 0 40 GHAB O=C(c1cnccn1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257206413 BDGZDNNKJCCMPF-OAHLLOKOSA-N 382.851 3.729 0 40 GHAB COc1ccccc1C(=O)N1CCC2(CC1)C[C@H](N(C)c1ccc(F)cc1)CO2 257310368 UEUWLCMKYPKWKJ-IBGZPJMESA-N 398.478 3.734 0 40 GHAB CC1(c2ncc(Cc3ccccc3F)o2)CCN(C(=O)c2ccccn2)CC1 257344662 ZYEUBLNRYISECH-UHFFFAOYSA-N 379.435 3.993 0 40 GHAB CN(C)[C@H]1CCCN(C(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)C1 592377080 XWKPNPRWXSEDHG-NRFANRHFSA-N 392.478 3.845 0 40 GHAB OC1CCN(CCOc2cccc(-c3cc(Cn4cccn4)ccc3F)c2)CC1 649438156 WIHMCFXVPUYYLN-UHFFFAOYSA-N 395.478 3.573 0 40 GHAB CC(C)(C)n1nnc(CNC(=O)Nc2ccccc2-c2c(F)cccc2F)n1 654043851 LPYUSZFJTJMGBO-UHFFFAOYSA-N 386.406 3.695 0 40 GHAB Cc1nccn1-c1cc(CNC(=O)N(Cc2ccc(F)cc2)C2CC2)ccn1 59306763 UUMDVYYQZHWNSO-UHFFFAOYSA-N 379.439 3.589 0 40 GHAB NC(=O)CSc1ccccc1C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 57130454 HMIVYHZLOXRUGW-UHFFFAOYSA-N 399.903 3.597 0 40 GHAB CCc1ccc(CN2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)o1 1615132066 WPUODJXUURBVPX-JOCHJYFZSA-N 386.467 3.769 0 40 GHAB COc1cc2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)[nH]c2cc1OC 5322740 WSWFCWYUHLKAGG-UHFFFAOYSA-N 393.487 3.764 0 40 GHAB COc1ccc([C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2c2cc(C(F)(F)F)[nH]n2)cc1 12128665 WNGYFPVLWDHFJV-RRQGHBQHSA-N 395.425 3.657 0 40 GHAB Cc1ccccc1OC[C@H]1CCCN(C(=O)c2cccc(Cn3cncn3)c2)C1 19237371 DUZJITUGJQYZIP-FQEVSTJZSA-N 390.487 3.566 0 40 GHAB Cc1nc2ccccc2c(=O)n1CCC(=O)N[C@H](c1ccc(F)cc1)C(C)C 19286612 PBZNKIKNKVOWQD-NRFANRHFSA-N 381.451 3.748 0 40 GHAB O=C(Cc1cccc(Cl)c1)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 19403279 XYTWMWDNFXMRKR-OAHLLOKOSA-N 382.851 3.734 0 40 GHAB O=C(CC1CCCC1)N1CCC[C@@H]1c1n[nH]cc1-c1ccnc(N2CCCC2)n1 19404117 DWEQMVXJFYADBW-LJQANCHMSA-N 394.523 3.711 0 40 GHAB COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCCN3C)cn1 19589168 YXMSKODFKYKKAQ-KCZVDYSFSA-N 379.504 3.573 0 40 GHAB Cc1ccn2c(CN3CCC[C@H](c4ccc5c(C)nn(C)c5n4)C3)c(C)nc2c1 19742498 OGJASZBHSIYPSB-SFHVURJKSA-N 388.519 3.921 0 40 GHAB CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 206659533 FFTVJOGKRKNTLB-USNOLKROSA-N 386.451 3.813 0 40 GHAB CC(=O)C1(c2ccccc2)CCN(C(=O)Cn2ccc3ccc(F)cc32)CC1 12148671 HNAHEFBWTSZQOO-UHFFFAOYSA-N 378.447 3.930 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)c1ccc(C(F)(F)F)nc1 1888944485 OTIHYJFTVKJQBO-NSHDSACASA-N 382.363 3.885 0 40 GHAB CCOC(=O)/C(=C/Nc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(F)c1 1889211663 WNVJALXNUFNNOO-FMIVXFBMSA-N 382.313 3.741 0 40 GHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cn2cncn2)cc1 32342248 UZEZVHWNBRNFHU-AWEZNQCLSA-N 377.473 3.769 0 40 GHAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3cccc(-c4ccnc(C)n4)c3)ccc21 33125279 SYYAYTXORSPXKT-UHFFFAOYSA-N 399.454 3.743 0 40 GHAB O=C(NCc1nnc(S)n1-c1ccccc1)c1ccccc1C(F)(F)F 4059237 DPNOUJWAUFKXGT-UHFFFAOYSA-N 378.379 3.505 0 40 GHAB CNC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CCC2 5055677 YRPIGBPUUIWLOD-UHFFFAOYSA-N 379.279 3.611 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)NC[C@H](c1ccsc1)N1CCCC1 8900252 MATBCTFJGZGBTH-QGZVFWFLSA-N 384.954 3.658 0 40 GHAB Cc1ccc(N2CCn3c(SCC(=O)Nc4cccc(F)c4)nnc32)cc1 9651583 LVBUHPAUNQFOEL-UHFFFAOYSA-N 383.452 3.608 0 40 GHAB Cn1cccc1[C@@H](CNC(=O)Cc1ccc(F)cc1)N1CCc2ccccc2C1 21151587 AETIFRSGBZHHGI-HSZRJFAPSA-N 391.490 3.623 0 40 GHAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3c3cccc(C(F)(F)F)c3)C2=O)cc1 101260499 AVCPPPGGYBEPEZ-CVEARBPZSA-N 388.349 3.766 0 40 GHAB O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1ccccc1F 35598030 FSSVRQLWIJTNJU-UHFFFAOYSA-N 390.462 3.795 0 40 GHAB O=C(c1ccsc1)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 585147526 CUIPMAGVXOVTII-UHFFFAOYSA-N 397.475 3.663 0 40 GHAB COc1ccc(Br)c(C(=O)N[C@H](C)Cc2ccc3c(c2)CCO3)c1 225599453 YFEIGZRISFQYGC-GFCCVEGCSA-N 390.277 3.754 0 40 GHAB O=C(Cc1scnc1-c1cccs1)N1CCN(c2ccccc2F)CC1 36080473 JVRZREULWKJNLJ-UHFFFAOYSA-N 387.505 3.902 0 40 GHAB O=C1CC(=O)[C@H](n2cncn2)[C@H](c2ccccc2Oc2cccc(Cl)c2)C1 100325448 XDHIDACLRRTDAK-FXAWDEMLSA-N 381.819 3.981 0 40 GHAB COCc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 31875838 SCYYAMDAQFVSTK-UHFFFAOYSA-N 382.441 3.980 0 40 GHAB COC(=O)c1ccc(CN2C(=O)COc3ccc(-c4cscn4)cc32)cc1 31869885 USUVJSNHVMIXEO-UHFFFAOYSA-N 380.425 3.522 0 40 GHAB O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 101359495 WSMQNLKUIRGZOC-UKRRQHHQSA-N 395.629 3.939 0 40 GHAB COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2cccc(OC)c2)c1C 872064 GREJYYAHMKDTHC-UHFFFAOYSA-N 390.461 3.699 0 40 GHAB COc1ccc2cc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)[nH]c2c1 32759900 LHJLOPMXWTXMMX-AWEZNQCLSA-N 375.432 3.590 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C[C@@H]1CCCO1)Nc1ccccc1Cl 1364638 LLCYDHOCYMKUJV-ZDUSSCGKSA-N 392.912 3.719 0 40 GHAB O=C(NCCSCc1ccccc1F)c1cc(Cl)c2c(c1)OCCO2 32736760 XILYNZXQEDMOQX-UHFFFAOYSA-N 381.856 3.914 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(SCc3cccs3)s2)no1 32823817 MHEFLWPIYKYUGI-UHFFFAOYSA-N 384.533 3.919 0 40 GHAB Cc1sc(NC(=O)C2CCCCC2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11904289 DMFFAQZHNSGOET-UHFFFAOYSA-N 385.489 3.993 0 40 GHAB O=C(Cc1cccc2ccccc12)NCc1nnc2ccc(C(F)(F)F)cn12 21740002 QIXVRERPGRBWSE-UHFFFAOYSA-N 384.361 3.760 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n1CC 4484587 UYRDDPFFCIOTAF-UHFFFAOYSA-N 383.473 3.964 0 40 GHAB COc1cccc(CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)c1 6066739 LQPROZMJHUXWPR-QGZVFWFLSA-N 382.485 3.876 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2F)CC1 6304828 VQOTUVITOULUQQ-UHFFFAOYSA-N 376.859 3.985 0 40 GHAB CC(=O)NCCCCCC(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 102819065 LWYZQHUKHCBHOS-UHFFFAOYSA-N 378.476 3.543 0 40 GHAB CN(Cc1ccsc1)C(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2 21935727 IPORYHGVTKRIBP-UHFFFAOYSA-N 383.473 3.582 0 40 GHAB CN1C(=O)[C@@]2(OCc3ccccc3N2C(=O)/C=C/c2ccco2)c2ccccc21 10157779 QPNDSZVDLVFXON-OTOIZHKDSA-N 386.407 3.686 0 40 GHAB CCc1ccccc1N(CC(=O)NCCC(C)C)S(=O)(=O)c1ccccc1 8088037 GPYZKLFJGRPWCT-UHFFFAOYSA-N 388.533 3.607 0 40 GHAB Cc1cccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1 8605540 LQNVTQFKSNPGPJ-UHFFFAOYSA-N 383.473 3.864 0 40 GHAB Cc1nc(CSCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)no1 46911479 LGDZITSDMJISQM-UHFFFAOYSA-N 394.909 3.951 0 40 GHAB C[C@H](NC(=O)Cc1ccc(F)cc1)c1cc(O)n2nc(-c3cccs3)cc2n1 100769322 SEYMIYIYYJEWTE-LBPRGKRZSA-N 396.447 3.722 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)OCC(=O)Nc1ccccc1 9418127 KNSYVZITKPGJNM-OUKQBFOZSA-N 393.418 3.823 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(F)cc12 1074510 UVCWHAMEEFUUHH-UHFFFAOYSA-N 396.871 3.798 0 40 GHAB CCCCSC(Nc1ccc(Cl)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9973684 FEZGEDSAQBVHMO-UHFFFAOYSA-N 381.885 3.547 0 40 GHAB Cc1ccc(-c2nc(CC(=O)NC[C@H]3COc4ccccc4O3)cs2)cc1 25055719 HHSVODXOUALMSQ-KRWDZBQOSA-N 380.469 3.617 0 40 GHAB COc1ccc(NC(=O)CSCC(=O)Nc2ccccc2N2CCCC2)cc1 12521951 BEHIGOAZMHBCST-UHFFFAOYSA-N 399.516 3.606 0 40 GHAB CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 57670787 CSKMWIVQIJYYLG-NRFANRHFSA-N 394.498 3.524 0 40 GHAB CN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12526262 SNRGXBCINAKSSE-UHFFFAOYSA-N 380.469 3.760 0 40 GHAB COc1cccc(-c2nc(C)c(C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)s2)c1 101660918 PCSBXQZIKWQXIP-OKILXGFUSA-N 388.489 3.748 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N[C@@H](C)c2cccc(Cl)c2)cc1 58170287 GJSCLTGUDCFUKW-HOTGVXAUSA-N 387.911 3.785 0 40 GHAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1cccc(Br)c1 20151802 WEEMJDUJPXWDKA-UHFFFAOYSA-N 393.262 3.583 0 40 GHAB C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)NCc1ccco1 10316337 XBLLLVUZHIFWLG-SNVBAGLBSA-N 378.454 3.811 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)N(Cc3ccco3)CC(F)(F)F)CC2=O)cc1 58336781 SHZSGAFZFWPCBM-OAHLLOKOSA-N 394.393 3.786 0 40 GHAB O=C(c1ccc(Cl)cc1)C1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 58414184 JZYNEKQWZHJISI-LJQANCHMSA-N 391.870 3.814 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1ccc(N2CCCC2)nc1 48086313 DIEZAAUTTGZULL-UHFFFAOYSA-N 390.491 3.591 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)NC[C@H]3COc4ccccc4O3)s2)cc1 25678995 AXKQGGVRPAEKRN-INIZCTEOSA-N 396.468 3.697 0 40 GHAB CCOc1ccc2[nH]c3c(N4CCN(Cc5ccccc5)CC4)ncnc3c2c1 58979881 MDBSUQPKFVMOKX-UHFFFAOYSA-N 387.487 3.832 0 40 GHAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1 2417157 LZIGMMFJFOMEJF-HXUWFJFHSA-N 376.456 3.680 0 40 GHAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1N1CCOCC1 11328500 ZQEMNKNUFHPMNT-UHFFFAOYSA-N 395.434 3.889 0 40 GHAB O=C(COC(=O)[C@H]1CCCO1)Nc1cc(Cl)ccc1Oc1ccccc1 3355606 SCXYATLCLLUILT-QGZVFWFLSA-N 375.808 3.793 0 40 GHAB O=C(Nc1ccccc1)c1nnc(CSc2nncn2-c2ccccc2)s1 12736394 VEIUSOORSFRBAS-UHFFFAOYSA-N 394.485 3.663 0 40 GHAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccccc1-c1ccccc1 48365380 QSWUVORDXHQHOU-UHFFFAOYSA-N 397.452 3.790 0 40 GHAB COc1ccc([C@@H](O)C2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1 12869071 YWTZINGILZZRHN-LJQANCHMSA-N 376.403 3.951 0 40 GHAB Cn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccc(C(C)(C)C)cc1 3402223 FHNHSEMKYGDXRS-UHFFFAOYSA-N 386.443 3.550 0 40 GHAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nc(-c3ccc(Cl)cc3)cs1)CS2 3448957 PWXXXHROFLPDSS-SUMWQHHRSA-N 393.921 3.856 0 40 GHAB O=C(OCc1cc2c(cc1Br)OCO2)C1C[C@@H]2CCC[C@H](C1)C2=O 13098151 PJLLWKKMHWMQAC-FOSCPWQOSA-N 395.249 3.616 0 40 GHAB CCCn1nc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)ccc1=O 21615640 YAWCPOWPLSYTSY-UHFFFAOYSA-N 388.880 3.606 0 40 GHAB O=C(NC1CCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 409380316 CEDACOHTUJHBNO-UHFFFAOYSA-N 378.881 3.813 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2F)N1C[C@H]1CCCO1 5156150 OPWPUVLFHJGEBY-YJYMSZOUSA-N 397.377 3.795 0 40 GHAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccc(OC)cc2)CC1=O 6378115 SGROADNCDWXVIW-WMZOPIPTSA-N 380.488 3.878 0 40 GHAB CCCCN(CC)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 14188598 LTIBFMWPLXGLCE-UHFFFAOYSA-N 386.517 3.700 0 40 GHAB CCOC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccc(OC)cc2)cc1 4658088 VXPISTDQWDKGTF-UHFFFAOYSA-N 389.415 3.744 0 40 GHAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1cccc(C)c1 409048070 QZMHKSSNLBIOLE-CXUHLZMHSA-N 386.835 3.806 0 40 GHAB Cc1ccc(N2C(=O)N(Cc3cc(=O)oc4cc(C)ccc34)C(=O)[C@@H]2C)cc1 6638270 AKPGLJMQFJCDRO-HNNXBMFYSA-N 376.412 3.767 0 40 GHAB C[C@H](NC(=O)CN1C(=O)CC2(CCCC2)C1=O)c1ccc(-c2ccccc2)cc1 9691407 HVZDMPOLKDHNTK-KRWDZBQOSA-N 390.483 3.850 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 6831168 OOCVUQBHYYMAST-UHFFFAOYSA-N 391.471 3.833 0 40 GHAB CC(=O)N1CCc2cc(N[C@@H](C(=O)N3CCCCC3)c3ccccc3)ccc21 15477477 AXJNBAKJHFDHNK-JOCHJYFZSA-N 377.488 3.761 0 40 GHAB C[C@H](OC(=O)c1cccc(N2CCCC2=O)c1)c1nnc(-c2ccccc2)o1 7622964 VLBNFFVGRSHMOZ-AWEZNQCLSA-N 377.400 3.781 0 40 GHAB COC(=O)c1cc(COC(=O)c2ccc(NC(=O)c3ccco3)cc2)oc1C 7791683 SHRUFGSCZSKWMA-UHFFFAOYSA-N 383.356 3.577 0 40 GHAB O=C(NCc1ccc(F)cc1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7807810 FBWJAJZEMKDKFK-UHFFFAOYSA-N 379.435 3.582 0 40 GHAB COc1cc(/C=C/C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc2c1OCCO2 16685093 SIVUDUBTVZADTB-ZZXKWVIFSA-N 394.379 3.500 0 40 GHAB COc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)CCc2ccccc2)cc1OC 72329289 VIMZJULRZAQKGO-OAHLLOKOSA-N 379.460 3.845 0 40 GHAB O=C(NCCC(=O)N1CCCCCC1)c1ccc(SCc2cccnc2)cc1 84425110 IZCQAGJNQPJZGL-UHFFFAOYSA-N 397.544 3.896 0 40 GHAB CC1CCN([C@H](CNS(=O)(=O)c2ccccc2F)c2cccs2)CC1 95350890 LOVHTUWRYGQZCJ-MRXNPFEDSA-N 382.526 3.639 0 40 GHAB Cc1csc(N(CC(F)(F)F)C(=O)c2ccc3c(c2)NC(=O)CS3)n1 95369531 LRPVBUMNGPGWRG-UHFFFAOYSA-N 387.408 3.705 0 40 GHAB O=C(c1ccc(I)c(F)c1)N1CC[C@@H]1Cc1ccccc1 78995273 GFJXGGOJBYNJHW-CQSZACIVSA-N 395.215 3.888 0 40 GHAB CCc1nc(C(=O)Nc2ncccc2OC)nn1-c1c(Cl)cccc1Cl 95957856 PZIPDRBTNZKSHK-UHFFFAOYSA-N 392.246 3.792 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NCC1CCN(Cc2ccco2)CC1 23128036 CCTMSQSHOFFHBX-UHFFFAOYSA-N 397.302 3.994 0 40 GHAB COc1cc(/C=C/C(=O)Nc2ccc(O)cc2)cc(Br)c1OC 62714918 RARHTBYVLSBYBU-FPYGCLRLSA-N 378.222 3.824 0 40 GHAB CCOc1ccccc1N1C[C@H](C(=O)O[C@@H](CC)C(=O)c2ccccc2)CC1=O 408641291 CKDSQXZWMRWHNH-MJGOQNOKSA-N 395.455 3.643 0 40 GHAB O=C(CSc1ncnc2nc[nH]c12)c1cccc([C@H]2CC2(Cl)Cl)c1 35670603 YROFXORRRUEAGE-LLVKDONJSA-N 379.272 3.989 0 40 GHAB CN1CCN(c2ccc(NC(=O)C[C@@H](c3ccsc3)n3cccc3)cc2)CC1 524735416 BBMSTHLWWNULAO-NRFANRHFSA-N 394.544 3.920 0 40 GHAB COc1cc2c(cc1OC)[C@@H](NC(=O)CCn1ccc3c(OC)cccc31)CC2 524733933 FOWRTINUYPHHAJ-SFHVURJKSA-N 394.471 3.861 0 40 GHAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1N1CCOCC1 72216252 PPMPYHMXYNXSNU-HXUWFJFHSA-N 381.476 3.782 0 40 GHAB Cc1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 30955107 WJXPSCYVKNEUPN-UHFFFAOYSA-N 376.460 3.896 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 224738648 ILKBTQZJHNJDFD-LJQANCHMSA-N 382.504 3.626 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1F 224644371 WTJMJDIAHXOHKA-HNNXBMFYSA-N 390.886 3.964 0 40 GHAB CCn1cc([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3N2)c(C)n1 227173115 GOBUXJVGCLJKRQ-KRWDZBQOSA-N 378.432 3.856 0 40 GHAB Cc1ccc(OC[C@H](C)NC(=O)c2ccccc2I)cc1 48816860 ZINVVMVESHLRJV-ZDUSSCGKSA-N 395.240 3.797 0 40 GHAB O=C(Nc1cccnc1)C1CN(c2nc3c(C(F)(F)F)cccc3s2)C1 77099690 OFETWIWVVJDWPN-UHFFFAOYSA-N 378.379 3.785 0 40 GHAB COc1ccc2c(c1)[C@H]1OCC3(CCN(Cc4ncc[nH]4)CC3)C[C@@H]1C(C)(C)O2 257310191 UEBSKROYDGNIAL-GHTZIAJQSA-N 397.519 3.949 0 40 GHAB CNc1nccnc1[C@@H]1CCCN1Cc1ccc(-c2ccccc2C(=O)O)o1 257205563 AZQSONVUEIEEON-KRWDZBQOSA-N 378.432 3.814 0 40 GHAB O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)N1CC[C@H]2C[C@@H]2C1 667075690 BERMDZKIVBGHAH-GXSJLCMTSA-N 384.383 3.977 0 40 GHAB C[C@H](NC(=O)N(C)C1CCN(c2cnccn2)CC1)c1cc2cccc(F)c2o1 683992981 SLBLAKFUIAMTPZ-AWEZNQCLSA-N 397.454 3.733 0 40 GHAB Cc1ccc(C)c(C(=O)CCC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1 12807238 SEORCDATKXIIBP-UHFFFAOYSA-N 380.488 3.980 0 40 GHAB Cn1c(C2CCN(C(=S)Nc3cccc4nonc34)CC2)nc2ccccc21 13690447 SCLCRFJLZPJAIK-UHFFFAOYSA-N 392.488 3.686 0 40 GHAB Cc1ccsc1CN(CCCN1CCOCC1)Cc1nc2ccccc2[nH]1 19238571 KMNVFLREWWBAAM-UHFFFAOYSA-N 384.549 3.657 0 40 GHAB COc1cccc(CN2[C@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)c1F 19567145 JKUQBPXWXXYODE-LIMIJEPZSA-N 395.478 3.742 0 40 GHAB CC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)C1 19706555 SOLTWIOLMKCPSE-HXUWFJFHSA-N 378.520 3.506 0 40 GHAB CCN(C(C)=O)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)C(C)C)CC2)C1 19712746 QHQHCKKJUPTDJQ-SFTDATJTSA-N 386.536 3.792 0 40 GHAB CC(C)c1ccc([C@H](C)NC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)cc1 19749835 COXWXHRALOZXIE-INIZCTEOSA-N 391.475 3.531 0 40 GHAB Oc1ccc(-c2n[nH]cc2CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)cc1 12143566 VZEVPGUJLWCYOY-QFIPXVFZSA-N 381.451 3.795 0 40 GHAB Cc1cccc(CC(=O)N2CCC[C@@H](c3nc(O)cc(-c4ccccn4)n3)C2)c1 12256801 KQBFFMJZSFAUTM-GOSISDBHSA-N 388.471 3.501 0 40 GHAB O=C(N[C@H]1CCN(C2CCOCC2)C1)c1cccc(Oc2ccc(F)cc2)c1 1888926435 LUDWVZCSAYXUEQ-SFHVURJKSA-N 384.451 3.601 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)Cn2c(-c4ccco4)cnc2CO3)c1 1565542530 LYFNEOFVZCKTOC-UHFFFAOYSA-N 391.471 3.965 0 40 GHAB CNC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CCCCC2 4326516 IHRQMLOUGZHOPS-UHFFFAOYSA-N 396.468 3.735 0 40 GHAB CC(C)(C)c1cc(O)c2oc(=O)c(S(=O)(=O)c3ccc(F)cc3)cc2c1 4484141 KSPRCGNIFHCVHR-UHFFFAOYSA-N 376.405 3.768 0 40 GHAB COc1cccc(COc2coc(C(=O)Nc3ccc(F)c(F)c3)cc2=O)c1 11963267 CTPOLFDNFKYCAT-UHFFFAOYSA-N 387.338 3.758 0 40 GHAB COC(=O)c1ccc(CSc2ccc(NC(=O)c3ccc(C)cc3)nn2)o1 13701667 BFRHQOCRQJDIDJ-UHFFFAOYSA-N 383.429 3.709 0 40 GHAB CC(=O)c1cccc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)c1 16890829 FWCVXVNBAKPFBI-UHFFFAOYSA-N 395.415 3.592 0 40 GHAB Cc1ccccc1NC(=S)N[C@H](C)[C@@H](c1cccs1)N1CCN(C)CC1 22456975 LFWPVSNFMSKJIR-APWZRJJASA-N 388.606 3.720 0 40 GHAB O=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1ccccc1Cl 23127634 PRTXFDMGPNIGOS-UHFFFAOYSA-N 378.925 3.531 0 40 GHAB COc1cccc(NC(=S)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)c1 4033724 WVTPHILXAMCCKS-IBGZPJMESA-N 382.464 3.902 0 40 GHAB CCSc1ccccc1C(=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225793012 DBMVELISYISOBP-UHFFFAOYSA-N 396.560 3.866 0 40 GHAB O=C(NCc1ccc(Cn2cncn2)cc1)N[C@H]1CCSc2ccc(F)cc21 40068900 GNXFRCCPYQDCNS-SFHVURJKSA-N 397.479 3.502 0 40 GHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(C)cccc2CC)C1=O 2619980 ABIWCMKJFBZPCP-HSZRJFAPSA-N 393.487 3.743 0 40 GHAB N#Cc1ccc(NC(=O)COC(=O)/C=C/c2cccc(Br)c2)cc1 2617175 BJCZUGDMOQEDFT-RMKNXTFCSA-N 385.217 3.516 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)NCc1ccco1 924480 VCLUXNNXAXJSLI-UHFFFAOYSA-N 397.504 3.847 0 40 GHAB NC(=O)[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 12051045 PNFDWVFFVFOTJM-ZDUSSCGKSA-N 390.283 3.681 0 40 GHAB Cc1ccc([C@H](NC(=O)NCC(C)(C)N2CCOCC2)c2cccs2)cc1 32794839 NOUYXGFFXWVXSY-IBGZPJMESA-N 387.549 3.556 0 40 GHAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccc(Br)cc1)C(=O)C2 1465714 FLEWWQHYBILAML-ZBEGNZNMSA-N 386.311 3.586 0 40 GHAB CCOP(=O)(OCC)O[C@H]1c2[nH]ccc2-c2cc(C(=O)OC)[nH]c2[C@@H]1OC 1647570 DIKOMQSMOOPQHM-HOTGVXAUSA-N 398.352 3.736 0 40 GHAB C[C@H](NC(=O)CCn1ncc(=O)c2ccccc21)C12CC3CC(CC(C3)C1)C2 32820122 YPDHNRQEGZXWEI-SCUMNGBJSA-N 379.504 3.508 0 40 GHAB COc1cccc(CNC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)c1 32909560 WMBUUFSHIPDTRC-LJQANCHMSA-N 380.469 3.544 0 40 GHAB CC[C@H]1C=CC[C@@H]2C(=O)N(CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 4501831 LQRUMGGMHSEQQW-KNHMANMVSA-N 381.259 3.519 0 40 GHAB CN(Cc1ccco1)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 8708983 NUOKXNJPGDSNQY-UHFFFAOYSA-N 394.393 3.809 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 6931774 YYGPZOWFNWENDM-WEVVVXLNSA-N 385.851 3.919 0 40 GHAB CCCCn1nnnc1NCc1ccc(OCc2cccc(C)c2)c(OC)c1 7262149 JKHYYYNQCLHQAD-UHFFFAOYSA-N 381.480 3.981 0 40 GHAB CN(Cc1ccsc1)C(=O)COC(=O)c1csc(-c2ccsc2)n1 21998726 BPDQWWVCUUWRFY-UHFFFAOYSA-N 378.500 3.749 0 40 GHAB COc1ccc(C(C)(C)C)cc1CN1C[C@@H]2CCC[C@@H](C1)C2(O)c1nccn1C 100150016 SGOFMINJDSUTOI-PMACEKPBSA-N 397.563 3.846 0 40 GHAB Cc1ccc(CN(c2ccc(C(=O)NCCC(C)C)cc2)S(C)(=O)=O)cc1 8372379 IKGMZZKRVLRACR-UHFFFAOYSA-N 388.533 3.737 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)c(C)c1 8413901 BAGBCYNWDIKOQN-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB COC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc2c1CC[C@@H](C)C2 671074 ICYLYWQHTRKZIC-GFCCVEGCSA-N 379.503 3.769 0 40 GHAB Cc1ccccc1-c1noc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)n1 12325993 ROJHRVXANXPKOX-QGZVFWFLSA-N 376.460 3.896 0 40 GHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CCCC2)cc2c1OCCO2 8720748 VIYOFGTZLDEMQY-OAQYLSRUSA-N 380.444 3.976 0 40 GHAB C[C@H]1CN(C(C)(C)CNC(=O)/C=C/c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 23181313 OOMVDFNULQLWSE-IDZXHDBHSA-N 384.442 3.723 0 40 GHAB C[C@@H](NC(=O)COC(=O)c1ccc(-n2cccc2)cc1)c1ccc(F)cc1F 23328868 RCOJGKZOWSIHGG-CQSZACIVSA-N 384.382 3.790 0 40 GHAB Cc1ccc(C(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1C 9660531 HWESJKGBKXILCK-UHFFFAOYSA-N 378.501 3.784 0 40 GHAB CCc1ccc(NCC(=O)NC(=O)Nc2ccc(Br)cc2)cc1 24759091 ORTQEFOXALYYLA-UHFFFAOYSA-N 376.254 3.772 0 40 GHAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCC[C@@H]3c3ccccc3)c2C)n1 24753388 PHCYDJVTKHUXBY-OAQYLSRUSA-N 389.503 3.802 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2ccn(Cn3nc(C)c(Cl)c3C)n2)c(C)c1 28236078 RBAFWJBEUZWFPR-CQSZACIVSA-N 385.899 3.963 0 40 GHAB CNC(=O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 3297377 RTJDGEXMRUQCJT-UHFFFAOYSA-N 399.244 3.567 0 40 GHAB O=C(CSc1ccc(Br)c2cccc(Cl)c12)Nn1cnnc1 3234028 VAXGLVKWCBAMTH-UHFFFAOYSA-N 397.685 3.710 0 40 GHAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccc2c(c1)OCO2 3227662 QSKFWXXORYOECX-UHFFFAOYSA-N 385.391 3.548 0 40 GHAB Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)c1 22256872 OJMFWJIQESSFGX-UHFFFAOYSA-N 385.489 3.989 0 40 GHAB C[C@H](NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 3229699 OZNCZFKDUZYMOP-AWEZNQCLSA-N 375.852 3.918 0 40 GHAB COc1ccc([C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)c2nccn2C)cc1 12602737 BCHHNFUKEFQUPH-LZGZYFLISA-N 379.504 3.851 0 40 GHAB CC(C)[C@@H](C)N(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccc(F)c1 8772402 YFRDCYHRSHJVMD-OAHLLOKOSA-N 389.446 3.889 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c(C)c1 22338773 BGOJBYYLZHUFPC-GOSISDBHSA-N 388.533 3.564 0 40 GHAB C[C@@H](C(=O)NCc1csc(-c2ccccc2)n1)n1cc(Br)cn1 28244075 SQGZOHAFBANHLA-NSHDSACASA-N 391.294 3.647 0 40 GHAB O=C(/C=C/c1cccc(Br)c1)N1CCN(c2ccc(O)cc2)CC1 12606546 FVVGBARRUIKOQY-RUDMXATFSA-N 387.277 3.517 0 40 GHAB CCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1ccc2ccccc2c1 58158052 QQBJPSBUSRFCTE-NRFANRHFSA-N 375.472 3.859 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3n3c(C(C)C)nnc23)cc1 2334402 MEFGOOFITKMOMN-UHFFFAOYSA-N 395.488 3.534 0 40 GHAB Cc1ccccc1NC(=O)COc1ccc(C(=O)Nn2c(C)ccc2C)cc1 12799567 KWHYHOHETBALSL-UHFFFAOYSA-N 377.444 3.815 0 40 GHAB CN(Cc1ccccc1F)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12779889 SHIZMNBHVJOXGB-HXUWFJFHSA-N 398.478 3.783 0 40 GHAB CCCCCNC(=O)CN1c2ccc(CC)cc2-c2ccccc2S1(=O)=O 11118134 DITGVODEDUWFAB-UHFFFAOYSA-N 386.517 3.731 0 40 GHAB Cc1ccc2c(CN3CCN(C(=O)c4ccc(C)c(F)c4)CC3)cc(=O)oc2c1 48374625 NFUYLTIIRSOUQT-UHFFFAOYSA-N 394.446 3.507 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)no1 3412466 CRKUFINVASYGIK-UHFFFAOYSA-N 395.238 3.526 0 40 GHAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Br)cc1 3498722 KWIHOEMYJIINBF-QGZVFWFLSA-N 398.260 3.594 0 40 GHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)c2ccccc12)N1CCOCC1 8867322 CUEDUDOWPYBVRS-UHFFFAOYSA-N 399.903 3.901 0 40 GHAB CCc1cc(=O)oc2c(C)c(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc12 4043570 MWATTYYEDUCOLI-UHFFFAOYSA-N 398.411 3.909 0 40 GHAB biogenic Cc1csc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)n1 6083187 FVQNMJKGZSVNTP-UHFFFAOYSA-N 393.534 3.657 0 40 GHAB CCCOc1ccc(C(=O)NC(=S)NN2CCCC[C@H]2c2cccnc2)cc1 5076559 MEKXYMZEZHJPKN-IBGZPJMESA-N 398.532 3.617 0 40 GHAB O=C(/C=C/c1ccccc1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 5046728 LQOFQKCPXUXHBT-BLRBJFNZSA-N 389.904 3.569 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(=S)[nH]c(O)c2[C@H]1c1ccc2ncccc2c1 5072344 OCHKXRLZHSJADW-HNNXBMFYSA-N 394.456 3.787 0 40 GHAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)C2CCCC2)CC1 44702784 UFKNWYRXMCGALF-UHFFFAOYSA-N 376.500 3.757 0 40 GHAB COc1cc(-c2nc(C)c(C(=O)Nc3ccccn3)s2)cc(OC)c1OC 13722321 PXKHNJGERXNJEE-UHFFFAOYSA-N 385.445 3.792 0 40 GHAB COc1cc(CN(C(=O)[C@@H]2Cc3ccccc3O2)C2CC2)ccc1OC(F)F 39995651 SISIELJDCPVEGB-IBGZPJMESA-N 389.398 3.791 0 40 GHAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)c3ccccc3OC)c12 9061182 BNICROHUMXNBHN-UHFFFAOYSA-N 396.443 3.933 0 40 GHAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccncc2)N1c1ccccn1 5322556 VZDIQQVMOVSHEQ-SFHVURJKSA-N 389.798 3.986 0 40 GHAB Cc1nnc2sc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)nn12 9190462 LMTDBQOGGKPFSP-UHFFFAOYSA-N 399.863 3.832 0 40 GHAB Cc1cc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)c(C)n1CCc1ccccc1 14242202 LNKZNOCGHCKPMV-UHFFFAOYSA-N 392.499 3.850 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(C(F)(F)F)n1C 6649269 QRMIVAUBGRRFFM-UHFFFAOYSA-N 394.806 3.535 0 40 GHAB Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1ccc(F)cc1 66306305 GIYVSWOSSBEMKB-HNNXBMFYSA-N 390.480 3.950 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3C)n2C)cc1 409170835 WQAMGTRJJDPNCZ-UHFFFAOYSA-N 386.452 3.669 0 40 GHAB CN(C(=O)/C=C/c1ccc2c(c1)OCO2)[C@@H](c1ccc(F)cc1)c1ncccn1 66798662 QFKMGFRHKASSPO-TVIPLOHISA-N 391.402 3.606 0 40 GHAB Cc1nnc(SCC(=O)NCCc2c[nH]c3ccccc23)n1-c1ccccc1 6822316 JRTXFRMZYJJLMK-UHFFFAOYSA-N 391.500 3.508 0 40 GHAB CCCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1)S2 6812138 YAIHBKIIWMETAJ-MSOLQXFVSA-N 379.489 3.628 0 40 GHAB NC(=O)NC(=O)[C@H](Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 7222088 IWGNJGWBKKBANJ-HXUWFJFHSA-N 375.428 3.614 0 40 GHAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc21 15867516 BXOVBZJWKCYXDR-UHFFFAOYSA-N 391.880 3.848 0 40 GHAB COCSC1=N[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N1 7983342 DFYZFBWAYUMFRZ-MRXNPFEDSA-N 380.535 3.972 0 40 GHAB CC(C)CN1CCO[C@@H](CNC(=O)c2cnc(-c3ccccc3Cl)s2)C1 78718350 ITGBXGSZKANIBV-AWEZNQCLSA-N 393.940 3.550 0 40 GHAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccc(N2CCOCC2)cc1 16705704 KPWWDWFLQAJXQN-UHFFFAOYSA-N 392.459 3.535 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 17302694 NUODDKDXKKCYLR-MRXNPFEDSA-N 380.448 3.528 0 40 GHAB COc1ccccc1C1=N/C(=C\c2sc3nc(C)nc(C)c3c2C)C(=O)O1 96991219 CRCYSLPFTVYDSN-ZROIWOOFSA-N 379.441 3.970 0 40 GHAB COC(=O)c1ccc(OC(C)C)c(NC(=O)Cc2cccc3cccnc23)c1 63716486 WTCQJTVGJHIENP-UHFFFAOYSA-N 378.428 3.990 0 40 GHAB CCO[C@@H]1C[C@H](NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)C12CCCCC2 78879004 SJAKRCIVKWSBEE-RBUKOAKNSA-N 397.519 3.835 0 40 GHAB COc1ccc([C@@H](CNC(=O)[C@H]2COc3ccccc3C2)N2CCCCC2)cc1 22685794 YYYNAQGYBLGGJT-IFMALSPDSA-N 394.515 3.590 0 40 GHAB O=C(/C=C/c1ccc(Cl)s1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 25639459 HEOSASMKPSGOTP-JKNJVXJCSA-N 394.899 3.744 0 40 GHAB O=C(/C(=C/c1ccc(Br)cc1)c1cccs1)N1CCOCC1 32907811 MWCITLLXAKMHHY-NTCAYCPXSA-N 378.291 3.910 0 40 GHAB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 35040447 JWTRTUPXDPXGJV-RVDMUPIBSA-N 388.901 3.815 0 40 GHAB COC1=C(OC)S[C@@H]2C3CC([C@H]2S1)[C@H]1SC(OC)=C(OC)S[C@H]31 33776180 DUOXPULWBZBVCL-FSWRQQCMSA-N 392.589 3.909 0 40 GHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(Cn2cncn2)cc1 32779718 KGBDLGVPZYGSLU-OAHLLOKOSA-N 383.883 3.882 0 40 GHAB CN(C)c1ccc(C(=O)N2[C@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)cc1 71980546 QZFJYAAFQPVHOU-OJCRERRGSA-N 388.508 3.611 0 40 GHAB O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3cccc(O)c3)C2)no1 72352774 ORNIUOBAUFAJBQ-KRWDZBQOSA-N 383.492 3.822 0 40 GHAB O=c1c2ccccc2nnn1CN(Cc1ccc(Cl)c(Cl)c1)C1CC1 48354175 HTVQVCOHLLZXTH-UHFFFAOYSA-N 375.259 3.720 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)CSCc3cccc(C)c3)n2)cc1 222747600 FGIYUGSEJXDBTF-UHFFFAOYSA-N 397.500 3.945 0 40 GHAB CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 42646298 QSXRYNIFLOQXCS-UHFFFAOYSA-N 380.366 3.748 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 224867980 ZDRMILOEKYVQIT-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1C 222997810 QKHHWLHEWKXKOA-OAHLLOKOSA-N 387.501 3.700 0 40 GHAB Cc1ccc(NC(=S)N[C@H](C)COc2ccccc2)cc1N1CCCC1=O 225784200 KFRHXCZZPKLYCM-MRXNPFEDSA-N 383.517 3.876 0 40 GHAB CN1CCC(Oc2ccc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc2)CC1 224243151 GTPXLTQTOPRBNK-UHFFFAOYSA-N 390.487 3.657 0 40 GHAB S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(N2CCCCCC2)nc1 224046704 RZZHKFDJGCEEII-UHFFFAOYSA-N 384.505 3.677 0 40 GHAB CC1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCCCCCC3)c2)CC1 220000083 FDJYYRJKYSDNMY-UHFFFAOYSA-N 392.565 3.950 0 40 GHAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)C1 40034528 IXUKJZNNQGFFBF-KBPBESRZSA-N 397.500 3.980 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 223090161 YSCCVDOXTPHAOJ-NRFANRHFSA-N 382.504 3.544 0 40 GHAB Cc1cc(Nc2ncc(C)s2)cc([C@H]2CN(Cc3cn(C)nc3C)CCO2)n1 257261464 LHKMIKUNXIKRGZ-LJQANCHMSA-N 398.536 3.514 0 40 GHAB CCc1n[nH]c(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)c1C 257215534 CQPOKMOTTFJLAL-QGZVFWFLSA-N 378.476 3.879 0 40 GHAB Cn1ccnc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257244409 ILESMGJMZONHJU-HNNXBMFYSA-N 384.867 3.672 0 40 GHAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)N[C@@H](C)CO)CCOCC3)cc2)c1 257201187 AGRMJEUGVATCEK-IBGZPJMESA-N 381.516 3.807 0 40 GHAB O=C(c1cccc(N2CCCC2)c1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 614453885 DAIFNQMFFKHZPN-NRFANRHFSA-N 389.499 3.852 0 40 GHAB Cc1ncc(CNC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)o1 622692297 YPSOGFKQMFGKBE-UHFFFAOYSA-N 382.203 3.787 0 40 GHAB COc1ccc([C@H](NC(=O)c2nn(C)c3c2CCCC3)c2ccccc2)cc1 648516413 MYNFTSXORDDHNS-OAQYLSRUSA-N 375.472 3.827 0 40 GHAB Cc1ccc(OCc2ccc(C(=O)N3C[C@@H](C(=O)O)[C@H](C4CC4)C3)o2)c(C)c1 652127410 REZKXGKSKMIKMJ-ZWKOTPCHSA-N 383.444 3.658 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2[C@H](C)c2ccccc2)ccc1C 1622595194 JCLUPBCOOLCPJT-UZLBHIALSA-N 387.501 3.738 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2[C@@H](C)c2ccccc2)ccc1C 1622595191 JCLUPBCOOLCPJT-JXFKEZNVSA-N 387.501 3.738 0 40 GHAB CCN1CCO[C@@H](CNC(=O)Nc2ccc3oc(C)nc3c2)[C@@H]1c1ccccc1 666033395 MCSJURWILOLYDD-SFTDATJTSA-N 394.475 3.720 0 40 GHAB CSc1ccc([C@@H](O)CNC(=O)CCc2ccccc2Br)cc1 96103175 JISWAGRFUDULKP-KRWDZBQOSA-N 394.334 3.953 0 40 GHAB O=C(NC1CCN(c2nc3cccnc3s2)CC1)c1ccc(F)cc1Cl 390829497 ZJVIAXLEJSKFKY-UHFFFAOYSA-N 390.871 3.883 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 575406756 SCHWVUHPAUGESA-FQEVSTJZSA-N 386.455 3.606 0 40 GHAB Cc1nc(COc2ccc(CN3CCN(c4ccc(F)cn4)CC3)cc2)cs1 585084622 QTRUQVYJGCRFOE-UHFFFAOYSA-N 398.507 3.887 0 40 GHAB CN(C)CCCC[C](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1560411738 KYOMWCWXHDWVOH-UHFFFAOYSA-N 395.479 3.874 0 40 GHAB CCc1cccc(CC)c1NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 5659510 XGVWRBBBBFASBK-UHFFFAOYSA-N 391.562 3.871 0 40 GHAB O=C(C1CCCCC1)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1 12145183 VTSXPSWSHPNROW-MRXNPFEDSA-N 385.533 3.791 0 40 GHAB COc1ccc2cnc(C3CCN(CC(=O)C4CCOCC4)CC3)cc2c1C 12188160 LETOZLVFDPCMAI-UHFFFAOYSA-N 382.504 3.727 0 40 GHAB COc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4ccccc4C)nnc23)cc1 13610787 LRNUCNNETYETKD-UHFFFAOYSA-N 387.443 3.977 0 40 GHAB Cc1ccc(C)c(N(CCCC(=O)Nc2c(F)cccc2F)S(C)(=O)=O)c1 14396165 QTNCFKNLFIBTIF-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCc4ccccc43)c2)cc1 15563602 YNSJNTACXGJWEP-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB C[C@H](NC(=O)Cc1nnc(S)n1Cc1ccccc1)c1ccc(Cl)cc1 17959656 FSRFQATZYNPLHY-ZDUSSCGKSA-N 386.908 3.688 0 40 GHAB Cn1ncc2c1CCc1sc(NC(=O)c3cccc(C(F)(F)F)c3)nc1-2 19289616 GKRNUERWFSGVQT-UHFFFAOYSA-N 378.379 3.913 0 40 GHAB O=C(Cc1ccccc1F)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 19348147 SRXGLGQELBFNDL-GOSISDBHSA-N 397.475 3.934 0 40 GHAB CC(C)n1c([C@H]2CCCN(CC(=O)Nc3nccs3)C2)nc2ccccc21 19657759 UHPWKOHBRSUOOH-HNNXBMFYSA-N 383.521 3.892 0 40 GHAB COc1ccc(CN2CC[C@](O)(c3ccccc3)C2)cc1Cc1c(C)noc1C 12364327 BXLDVSFTSKKUSZ-XMMPIXPASA-N 392.499 3.984 0 40 GHAB C[C@@H](Sc1nccn1C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 5358936 CFUBKZQZRZQNKI-SECBINFHSA-N 380.445 3.941 0 40 GHAB O=C(c1ncccn1)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1889024322 JBGYURMRXPQOPF-UHFFFAOYSA-N 396.454 3.502 0 40 GHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC(=O)NC1CCCCC1 1775964349 IHYGMKWRZABIKA-KCUHQSDYSA-N 375.557 3.824 0 40 GHAB biogenic,in-vitro O=C(c1ccccc1I)N1CC[C@H](c2ccccc2)C1 38567306 VNIUVUVBIGPHLZ-AWEZNQCLSA-N 377.225 3.921 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)o1)Nc1cccc(C(F)(F)F)c1 858864 CWRAFICEEBVYFF-UHFFFAOYSA-N 380.351 3.881 0 40 GHAB CCOC(=O)CS[C@H](C)C(=O)Nc1nnc(-c2c(C)cc(C)cc2C)s1 4174564 JOWAZPLCXRJCQK-CYBMUJFWSA-N 393.534 3.754 0 40 GHAB COc1ccc(N2C[C@@H](NC(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1 4479623 XTCKAKZECBECTG-ZDUSSCGKSA-N 396.472 3.540 0 40 GHAB Cc1ccc2sc(N3CCN(C(=O)COc4ccccc4)CC3)nc2c1C 4585359 KWJMTDYISQHRLJ-UHFFFAOYSA-N 381.501 3.641 0 40 GHAB CCc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccco4)n3)c2C)cc1 9941261 NSRAGZJUSHOGMB-UHFFFAOYSA-N 380.433 3.502 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 10812133 SDFKVXHDBJOBGD-ZDUSSCGKSA-N 384.910 3.583 0 40 GHAB CCn1nc(C)cc1C(=O)Nc1cc(C)nn1-c1nc2ccc(F)cc2s1 21685110 BSAKNDNFERIWCM-UHFFFAOYSA-N 384.440 3.707 0 40 GHAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)n(-c2nc3c(F)cccc3s2)n1 21685468 FTVBBIFOKPODQH-UHFFFAOYSA-N 396.403 3.911 0 40 GHAB Cc1nn(CCNC(=O)c2ccccc2Br)c(C)c1-c1ccco1 575615310 NNFXGTQQTRZCPP-UHFFFAOYSA-N 388.265 3.952 0 40 GHAB Cc1cc(NCCCN2CCOCC2)n2nc(-c3cccc(Cl)c3)c(C)c2n1 40216726 JQSVSIKLYUFBLV-UHFFFAOYSA-N 399.926 3.801 0 40 GHAB O=C(c1ccc(Br)s1)N1CCC[C@@H]1c1nnc2ccccn12 31501620 CPPWLUJERBPVPX-SNVBAGLBSA-N 377.267 3.531 0 40 GHAB COc1cccc(N2CCN(C[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)c1 51117561 XWWVGSQDNIEHSY-IBGZPJMESA-N 380.410 3.570 0 40 GHAB C[C@@H](Oc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)C(=O)c1ccccc1 101687805 CIKRJDHEULFVTN-YSGRDPCXSA-N 375.424 3.792 0 40 GHAB CCN1CCN(c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2C)CC1 32411434 XHBHCGLVDZZJIR-UHFFFAOYSA-N 393.940 3.591 0 40 GHAB Cc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl 29480362 QDCVYTWVYCRVIC-MUAYPFOZSA-N 392.908 3.529 0 40 GHAB COc1ccc(CN2CCN(Cc3csc(C(C)(C)C)n3)CC2)cc1OC 29704481 DNQTYLNXMXJBAJ-UHFFFAOYSA-N 389.565 3.776 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cc(F)c(F)cc1Cl 2664682 XLLNASHZBLXPIB-GFCCVEGCSA-N 381.806 3.913 0 40 GHAB COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 11915305 KMVCBEBYRTVDCL-FQEVSTJZSA-N 393.439 3.692 0 40 GHAB C[C@H]1Oc2ccc(-c3csc(NC(=O)c4ccc(F)cc4)n3)cc2NC1=O 11904353 RNYKNFSSCAFWED-SNVBAGLBSA-N 383.404 3.921 0 40 GHAB CCc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OC)c(OC)c2)cc1 887281 HZCDPXFEUOKDOQ-LJQANCHMSA-N 393.530 3.703 0 40 GHAB CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)NC(C)C)C2)C3)cc1 4237481 ITWVWVYXNYJLHU-DOTOQJQBSA-N 397.544 3.774 0 40 GHAB biogenic,in-vitro O=C(NCc1ccc(CNC(=O)c2cccc(F)c2)cc1)c1cccc(F)c1 6331301 FAIAHGQJMQHJEP-UHFFFAOYSA-N 380.394 3.825 0 40 GHAB CN(CC(=O)NCCC1=CCCCC1)CC(=O)Nc1c(Cl)cccc1Cl 6882090 KLFXTPBTYDQVSM-UHFFFAOYSA-N 398.334 3.870 0 40 GHAB CC1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(C(F)(F)F)cc1)C2=O 22340224 JMKITQBGOFYYEE-UHFFFAOYSA-N 383.414 3.595 0 40 GHAB CCN(C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)C1CCCCC1 22534153 LXOMINOKPVKKPC-UHFFFAOYSA-N 397.445 3.874 0 40 GHAB COc1ccccc1CCNC(=O)c1nc(-c2ccc(OC(C)C)cc2)no1 12407444 XYHHPNSLQLYBAI-UHFFFAOYSA-N 381.432 3.505 0 40 GHAB CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Oc1ccccc1C(=O)OC 3049366 OOWSTLXOOCRGOR-UHFFFAOYSA-N 393.399 3.603 0 40 GHAB COC(=O)N[C@@H](NC(=S)Nc1cc(C)ccc1C)C(Cl)(Cl)Cl 3012381 YUIJZJNGOZIXOP-SNVBAGLBSA-N 384.716 3.642 0 40 GHAB CCN1C(=O)N[C@H](c2ccccc2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 3166563 KSBQVNFVPBLTFR-VBQJREDUSA-N 398.406 3.584 0 40 GHAB CCOC(=O)c1c(NC(=O)Cn2c(=O)sc3ccccc32)sc(C)c1C 801752 DCHQOUSEZCCZPM-UHFFFAOYSA-N 390.486 3.557 0 40 GHAB CC[C@@H](NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 22327651 RQVHAOBFFGQESZ-HXUWFJFHSA-N 388.533 3.645 0 40 GHAB O=C(Cc1csc(-c2ccco2)n1)Nc1cccc(OCCn2ccnc2)c1 42707106 BTWPATFJZGPWFC-UHFFFAOYSA-N 394.456 3.860 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)c2cc(N3CCOCC3)ccn2)cc1 23995551 SSYULXUTPOPAAK-JOCHJYFZSA-N 395.503 3.684 0 40 GHAB CC[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 22275895 ALCWEJQMFKBIMH-HNNXBMFYSA-N 394.924 3.758 0 40 GHAB NC(=O)c1ccsc1NC(=O)CNc1cc(Cl)ccc1N1CCCCC1 12554735 LKRKHPYRYOVDDR-UHFFFAOYSA-N 392.912 3.541 0 40 GHAB COc1cc2c(cc1NC(=O)COC(=O)c1ccccn1)oc1ccccc12 3240359 ULAWWORGZGKHCR-UHFFFAOYSA-N 376.368 3.785 0 40 GHAB Cc1cccc(Oc2ncccc2NC(=O)N2CCC3(CC2)OCCO3)c1C 56639599 NMSDKEUJBGYZNZ-UHFFFAOYSA-N 383.448 3.862 0 40 GHAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC[C@H]2[C@H]2CCCN2C)o1 107497216 YESZTMWXXSWVNE-MSOLQXFVSA-N 393.491 3.759 0 40 GHAB C[C@H](Oc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cn1)c1ccccc1 58060964 KBBNGXGDXZVJKS-ZDUSSCGKSA-N 375.384 3.908 0 40 GHAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 58033972 XUKASYONQWGCKS-UTKZUKDTSA-N 396.535 3.771 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)N(Cc2ccccc2)C(C)C)c(C)c1 3367824 AMLLIMPHKIQBBQ-UHFFFAOYSA-N 395.532 3.808 0 40 GHAB O=C(Nc1ccc(-n2cc(Br)cn2)cc1)c1ccc2c(c1)OCO2 28247522 BUYFITYVNAGCEX-UHFFFAOYSA-N 386.205 3.616 0 40 GHAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 10322527 QCOOFMZGGVSSKU-AWEZNQCLSA-N 390.468 3.820 0 40 GHAB CCc1sc(C(=O)N[C@H](CC(=O)OC)c2ccc(OC)c(OC)c2)cc1C 58349668 VDVZNFIWRSBSAI-CQSZACIVSA-N 391.489 3.670 0 40 GHAB Cc1nc(Sc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)oc1C 12774096 GCPRHZALHUHCIB-UHFFFAOYSA-N 390.534 3.896 0 40 GHAB C[C@@H](NC(=O)CCNC(=O)c1cccs1)c1ccccc1Br 12755962 FPTRXBFJFILYRB-LLVKDONJSA-N 381.295 3.508 0 40 GHAB COc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(C)no2)ccc1OCCC(C)C 10993632 BTEGVIIGVPGKSB-CQSZACIVSA-N 390.436 3.601 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](C)c1ccc(F)cc1F 12767590 GFBICQPLSYIGGM-GFCCVEGCSA-N 383.398 3.827 0 40 GHAB CSc1ncccc1C(=O)N(C)CCOc1ccc(Br)cc1 12798253 XQJSOXKVLDAVFP-UHFFFAOYSA-N 381.295 3.717 0 40 GHAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1N1CCCC1 8429397 XHWQXZPVEVZLSG-QFIPXVFZSA-N 379.504 3.609 0 40 GHAB COc1cccc(-c2nnc(SCc3nccn3C)n2-c2ccccc2)c1 48355225 PGVAKJXZPVQRFR-UHFFFAOYSA-N 377.473 3.969 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCCc3nnc4ccccn34)c3ccccc3n2)o1 11545563 NKCXUINHVSQIGX-UHFFFAOYSA-N 397.438 3.818 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12912576 WBMDBRHFSAUMSS-HOTGVXAUSA-N 386.879 3.985 0 40 GHAB C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)NC1CCCC1 12975950 ORIJOBFYDJBDBS-CQSZACIVSA-N 391.533 3.998 0 40 GHAB C[C@@H](NCC(=O)Nc1ccccc1N1CCOCC1)c1ccc2ccccc2c1 13041896 KQDXJBKYJICGRD-GOSISDBHSA-N 389.499 3.966 0 40 GHAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N1CC[C@@H](C)Sc3ccccc31)C2=O 17525703 OBLBBIQPSAQLCO-OAHLLOKOSA-N 394.496 3.899 0 40 GHAB COc1ccc(-c2c(C)oc3cc(O[C@H](C)C(=O)O)ccc3c2=O)cc1OC 4046826 NKWCMWFBICKMQI-GFCCVEGCSA-N 384.384 3.638 0 40 GHAB biogenic C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc(CO)c(C=O)c1O2 6031009 QKXGRPHIBLICSC-NPPBVIRDSA-N 388.504 3.604 0 40 GHAB biogenic C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc2c(c1)OCCO2 6128586 IGULWJUSRTZGAV-LLVKDONJSA-N 378.222 3.626 0 40 GHAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4cccc(F)c4)CC3=O)c2c1 13944642 UQGPWZUPCHGVAR-INIZCTEOSA-N 379.435 3.645 0 40 GHAB COc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(C)c32)cc1OC 5234831 NFAJNAYSRGOCAG-UHFFFAOYSA-N 390.233 3.504 0 40 GHAB C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1 6370809 UAEDWXFKJIXJIC-SNVBAGLBSA-N 377.322 3.766 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(NC(C)=O)cc3)c(C)c2c1 4525015 OKMIRNHSXBCPEJ-UHFFFAOYSA-N 396.399 3.504 0 40 GHAB COC(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 14246203 ZJHCIVJGCJIKES-UHFFFAOYSA-N 378.432 3.929 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 14240381 QLRMEFLOEDQCKC-UHFFFAOYSA-N 380.488 3.980 0 40 GHAB COc1ccc2cc(CN(C)C(=O)CNC(=O)c3cc(C)cc(C)c3)ccc2c1 18213086 HUDDOAOUYGOVIG-UHFFFAOYSA-N 390.483 3.854 0 40 GHAB O=C(Oc1cc(=O)oc2ccccc12)c1cccc(I)c1 4672613 KTCOBFRWGHKVQQ-UHFFFAOYSA-N 392.148 3.617 0 40 GHAB CCC(C)(C)C1CCC(NC(=O)CNC(=O)NCc2ccc(F)cc2)CC1 14527873 FQAXWPOHHCNUKE-UHFFFAOYSA-N 377.504 3.736 0 40 GHAB Cc1ccc(C2=NN(C(=O)Cn3nnc4ccccc43)[C@@H](c3ccco3)C2)cc1 6652616 IEGXNHZAUYDABD-HXUWFJFHSA-N 385.427 3.711 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccc(F)c1 4736278 HFVWSRHYPNKPNM-UHFFFAOYSA-N 378.379 3.630 0 40 GHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccccc2Cl)n2nnnc2N1 4878924 XIMQMGCIVJEJJD-GOSISDBHSA-N 394.866 3.871 0 40 GHAB COc1cccc(CNc2nc3ccccc3c3nc(-c4cccnc4)nn23)c1 6805443 NEUDBTZYUOYNEZ-UHFFFAOYSA-N 382.427 3.960 0 40 GHAB O=C(CSCC(=O)Nc1ccccc1Br)Nc1ccccc1F 6999608 GOSKLMZBGAEVAT-UHFFFAOYSA-N 397.269 3.899 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc(F)cc2)nc2cc(C)[nH]c2c1=O 67238830 LKHWVDKPZWCFQQ-GFCCVEGCSA-N 388.468 3.874 0 40 GHAB COc1ccc(-c2nonc2NC(=O)COc2c(C)cc(C)cc2C)cc1OC 8916410 FXOAQQZUNRJLHF-UHFFFAOYSA-N 397.431 3.697 0 40 GHAB O[C@H](CO[C@@H]1CCCc2ccccc21)CSc1nncn1-c1ccccc1 7032069 BHJNVRZWJFAOMR-UYAOXDASSA-N 381.501 3.815 0 40 GHAB CC(C)CCn1c(=O)c2ccccc2n2c(SCCN3CCCCC3)nnc12 9378805 ULKSXNDMTOGDRL-UHFFFAOYSA-N 399.564 3.668 0 40 GHAB CCCOc1ccc(OCCOC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 16398468 XUAGKOISOWEZRT-UHFFFAOYSA-N 399.422 3.739 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc2cccnc12 7977270 NIKMSTWJNLFYNQ-UHFFFAOYSA-N 395.484 3.580 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccc(Cl)cc1Cl 8133945 MTDDUALMTBFIGR-UHFFFAOYSA-N 377.271 3.979 0 40 GHAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(OCc2cscn2)cc1 8232622 COWVNCPEKUQENS-UHFFFAOYSA-N 393.468 3.867 0 40 GHAB CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](C)c1ccccc1 8395254 XRMSNNVMGICAJO-LBPRGKRZSA-N 376.250 3.908 0 40 GHAB O=C(O)Cc1c(-c2ccc(Br)cc2)nc2ccccc2c1C(=O)O 62702310 NAAYYAIYBSTPPD-UHFFFAOYSA-N 386.201 3.990 0 40 GHAB Cc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCCC(=O)O)c1 79112277 BGYPCITWIOPRKS-SFHVURJKSA-N 394.427 3.656 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H](C)N1CC(OCCCOc2ccccc2)C1 84811023 VGJZWCVHPGULRH-GOSISDBHSA-N 398.503 3.582 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1ccc(F)cc1Cl 79487240 DSEFYXGPHHZWFO-MRXNPFEDSA-N 397.859 3.971 0 40 GHAB O=C1C[C@@H](c2ccccc2OCc2ccc(Cl)cc2Cl)N2NC=NC2=N1 409378717 QRRZUXGOCRFEJG-HNNXBMFYSA-N 389.242 3.748 0 40 GHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 408597281 URDFELQFHUZTOD-UHFFFAOYSA-N 380.897 3.896 0 40 GHAB O=C(c1ccsc1)N1CCO[C@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306124435 BPPWOIYOSAUPEP-IBGZPJMESA-N 390.468 3.672 0 40 GHAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(-n2ccnc2)cc1 38755571 UDSXEGAZJVHRLF-UHFFFAOYSA-N 396.299 3.799 0 40 GHAB CSc1nsc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)n1 32593923 NPLNTBDLBPJWDY-UHFFFAOYSA-N 388.257 3.926 0 40 GHAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C(Cl)/C=C/c1ccccc1 35193646 JBPYVMAOTDAEBV-ZBUTWXCBSA-N 387.863 3.936 0 40 GHAB Cc1ccc(N2C(SCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 32640572 AADSQZCFZRSCGT-MOPGFXCFSA-N 386.542 3.578 0 40 GHAB Cc1ccc(S(=O)(=O)N2[C@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 38826446 BCWJPYBVTNWFEG-VXVSGHKGSA-N 377.465 3.992 0 40 GHAB c1csc(CN2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)c1 35425779 ZIKSYSZXMVBRFD-INIZCTEOSA-N 378.461 3.716 0 40 GHAB biogenic,in-vitro CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 32250506 LELBFTMXCIIKKX-CYSPOEIOSA-N 398.503 3.825 0 40 GHAB CCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 224687178 OTFSTESKNYGXRK-UHFFFAOYSA-N 381.881 3.715 0 40 GHAB COC(=O)c1ccc([C@H]2CC(=O)c3cc(OC)c(OC)cc3-n3cccc32)cc1 225380496 NNRFLNYDLVJWCX-MRXNPFEDSA-N 391.423 3.999 0 40 GHAB CC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224016983 KJBWUVONUNGDSI-UHFFFAOYSA-N 387.288 3.932 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2nnc(SCC(C)C)s2)cc1OC 225317876 FNGDGDFPMGVFEX-SOFGYWHQSA-N 379.507 3.955 0 40 GHAB COc1cc(N(C)S(=O)(=O)c2ccc(SC)cc2)c(OC)cc1Cl 224995226 NSIYJDBWNJOOTM-UHFFFAOYSA-N 387.910 3.904 0 40 GHAB O=C(CSC1=N[C@H]2SC3=C(CCCC3)[C@H]2C(=O)N1)Nc1ccccc1F 226818353 FHFOPDJUALHSRS-RDJZCZTQSA-N 391.493 3.500 0 40 GHAB COc1cccc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)cn2C)c1 49550188 JBHMLPJEVCJJHI-UHFFFAOYSA-N 398.846 3.879 0 40 GHAB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)o1 222767553 MNTCGPSGKGZULI-RBUKOAKNSA-N 393.468 3.731 0 40 GHAB Cc1cccc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)c1 225693561 GCPNUPKFIHQPHZ-SFHVURJKSA-N 384.495 3.866 0 40 GHAB COc1cccc(CN(C(=O)Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c1 224453651 LHTQLZJNIPAGPY-IBGZPJMESA-N 396.531 3.736 0 40 GHAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21)N1CCCC1 96242080 HGCIDAAOOCLPDQ-SFHVURJKSA-N 392.499 3.953 0 40 GHAB CCc1cccc(NC(=O)N2CC[C@@]3(C[C@H]3C(=O)N(C)Cc3ccccn3)C2)c1 96227435 NGBBIWSOHGAHST-NZQKXSOJSA-N 392.503 3.547 0 40 GHAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)NCc2ccccc2Cl)CC1=O 242758182 DKVNECRHVUFQAE-AWEZNQCLSA-N 377.271 3.971 0 40 GHAB CCCCC[C@](C)(O)/C=C/[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)OC 248272294 QQCOAAFKJZXJFP-IANPOQBBSA-N 382.541 3.521 0 40 GHAB COc1ccccc1-c1cccc(C(=O)NS(=O)(=O)c2ccc(F)cc2)c1 257242891 IEPYRZVNLGGADX-UHFFFAOYSA-N 385.416 3.620 0 40 GHAB C=CCOc1ccccc1C=c1sc2nc(-c3cccc(Cl)c3)nn2c1=O 254872050 ODSSTWMHTKQMTJ-UHFFFAOYSA-N 395.871 3.584 0 40 GHAB COc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H](c3nc(C)no3)C2)cc1F 252489520 JSJPAFIVECACKE-IAGOWNOFSA-N 381.407 3.549 0 40 GHAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccncn1)[C@H]2Cc1ccccc1 257253521 JZGWAMIUVKSCDL-CHSSDKTLSA-N 390.531 3.565 0 40 GHAB Cc1cccc(CCN(CC(=O)O)C(=O)c2ccc3c(c2)ncn3C(C)C)c1 257250747 JNWHFCUPQGVXDK-UHFFFAOYSA-N 379.460 3.695 0 40 GHAB O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)N[C@@H]1CC12CCOCC2 653194873 MVPZXZUKPPTREM-OAHLLOKOSA-N 380.370 3.582 0 40 GHAB COc1ccccc1S(=O)(=O)NCc1ccc(C(=O)c2ccsc2)s1 96119843 JYWARPXHLYWFMJ-UHFFFAOYSA-N 393.511 3.528 0 40 GHAB CCc1ccc(S(=O)(=O)Nc2ccc(N3CCC(OC)CC3)cc2)s1 96382293 IWLOATJFWYZEBR-UHFFFAOYSA-N 380.535 3.727 0 40 GHAB CC(C)Sc1ccc(CC(=O)NCC2CCN(c3ncccn3)CC2)cc1 43977483 QLAKPVRYBXTLMV-UHFFFAOYSA-N 384.549 3.552 0 40 GHAB O=C(Nc1ccc(Oc2ccncc2)cc1)[C@H]1CCCN(c2ncccn2)C1 50490903 WYJWCVRHLXZWLY-INIZCTEOSA-N 375.432 3.519 0 40 GHAB Cc1ccc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cc1C 1615117818 CJNOAYLZINRTCC-UHFFFAOYSA-N 382.479 3.841 0 40 GHAB CCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OCC 5466668 OYELXQOPWRAXOG-PXNSSMCTSA-N 380.444 3.654 0 40 GHAB CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1 5495530 ITRPCLGJKZMPPB-UHFFFAOYSA-N 392.278 3.534 0 40 GHAB Cc1nn(CC(=O)Nc2ccccc2-c2ccccc2)c(=O)c2cc3occc3n12 12115431 BSXHHTGYJWZQKX-UHFFFAOYSA-N 398.422 3.856 0 40 GHAB COc1cc(C)c(CNC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)cc1C(C)C 12116837 KEPMSNCMHHIGLH-UHFFFAOYSA-N 395.507 3.797 0 40 GHAB O=C(Cc1cccs1)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1 12145193 XSWMNULKGUJZCK-OAHLLOKOSA-N 399.541 3.515 0 40 GHAB CC[C@@H](C(=O)N1CCC(O)(c2ccccc2C)CC1)n1cnc2ccccc21 12148711 VIOWWWPWKLEPTM-FQEVSTJZSA-N 377.488 3.806 0 40 GHAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12628004 NUUFQRSIPBSFBP-UHFFFAOYSA-N 398.466 3.917 0 40 GHAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12762528 JXHACHHWWUVFLH-UYAOXDASSA-N 379.504 3.557 0 40 GHAB O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(Br)cn1 14194775 CTMFAZPHBZEQMB-UHFFFAOYSA-N 388.309 3.737 0 40 GHAB Cc1ccc(-c2nc(NC(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)O)sc2C)cc1C 17078876 SFTDCKXIQFVVIG-FZKCQIBNSA-N 386.473 3.552 0 40 GHAB CCN1CCN(c2nc(-c3ccc(F)cc3)c3c(n2)-c2ccccc2C3=O)CC1 17079303 JORRZHOREVKIPK-UHFFFAOYSA-N 388.446 3.636 0 40 GHAB Fc1ccc(Nc2nc(N3CCOCC3)nc3c2cnn3-c2ccccc2)cc1 17200408 PCAHQBOMPAGIKA-UHFFFAOYSA-N 390.422 3.535 0 40 GHAB COc1c(C)cccc1CN1CCC[C@@H]([C@@H](NC(=O)C2CC2)c2ccccn2)C1 19235944 OEQRTXAFJKWUBA-DENIHFKCSA-N 393.531 3.878 0 40 GHAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2C(=O)CCCOc1ccc(C)cc1C 19712343 XKPKWHHZGHILKC-RTWAWAEBSA-N 386.536 3.854 0 40 GHAB Cn1cc(CCNC(=O)c2ccc3c(c2)ncn3C2CC2)c2cc(F)ccc21 19714292 HVKZAXDXRXZBFI-UHFFFAOYSA-N 376.435 3.975 0 40 GHAB O=C(COc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CCC2 19819169 ZLLVFHUHOCPGNI-UHFFFAOYSA-N 387.439 3.692 0 40 GHAB O=C(NC1CCCC1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 19879730 ICVRGXBINHJBQA-UHFFFAOYSA-N 377.532 3.677 0 40 GHAB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)cc3)C(=O)NC2=S)cc1 6359156 JSEUHMMHAUAGFP-CPNJWEJPSA-N 394.496 3.868 0 40 GHAB COc1cccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccc(C)cn2)c1OC 12135264 FKBWEUOTGZVXJJ-LIMIJEPZSA-N 382.504 3.527 0 40 GHAB COCCCN1CCC[C@]2(CCCN(C(=O)Nc3ccc(F)c(F)c3)C2)C1 2056223584 UIZVVPRJRDVHIF-FQEVSTJZSA-N 381.467 3.711 0 40 GHAB COc1ccc(-c2ccc(SCC(=O)N3CCCCCC3)nn2)cc1OC 1332333 NZJMASAVRYOZBU-UHFFFAOYSA-N 387.505 3.656 0 40 GHAB C[C@H]1CCc2sc(NC(=O)c3ccccc3Br)c(C(N)=O)c2C1 1518462 LBNPFTBTMXIUJE-VIFPVBQESA-N 393.306 3.987 0 40 GHAB CCOC(=O)c1[nH]c(C)c(CN(C(=O)CCCC(=O)O)c2ccccc2)c1C 2191967 BILXWEVXUBVJMW-UHFFFAOYSA-N 386.448 3.596 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1ccccc1 4341512 VCHFOZHXXMUHCL-UHFFFAOYSA-N 379.420 3.685 0 40 GHAB CCC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2C1 8976989 NZGBIMJZCXXHEJ-UHFFFAOYSA-N 398.528 3.661 0 40 GHAB O=C(CSc1cc(N2CCCC2)ncn1)Nc1cccc(C(F)(F)F)c1 44112062 QIGZJLZZVNPHKO-UHFFFAOYSA-N 382.411 3.826 0 40 GHAB Cc1cc(O[C@H]2CCN(C(=O)NCc3cccc4ccccc34)C2)nc(C)n1 585147337 IETVOPDSTNOQLW-IBGZPJMESA-N 376.460 3.610 0 40 GHAB Cc1cccc(NC(=O)C(=O)NCC2(c3ccc([C@@H](C)O)s3)CCCC2)c1 225685090 MMBBCAIICVDGQA-OAHLLOKOSA-N 386.517 3.677 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccc(Cl)cc2)c2ccc(C)cc21 4987951 FEGIWTVCOKWUFZ-NRFANRHFSA-N 387.863 3.631 0 40 GHAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242871 WUOYPWQSBLWZKX-LRSLUSHPSA-N 389.503 3.512 0 40 GHAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)/C=C/c1ccccc1OC(F)F 40069816 ZFPWYRDEJNFQMM-ATZMKFKVSA-N 386.398 3.696 0 40 GHAB CSc1nccn1-c1cccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c1 40140965 FNXRZHADSRKYAA-UHFFFAOYSA-N 392.484 3.739 0 40 GHAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSc3ccc4ccccc4n3)n21 40114159 LNEIKTNBMOHRHD-UHFFFAOYSA-N 387.468 3.730 0 40 GHAB CCc1nnsc1C(=O)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 31938635 HWKDTEMBIFQDKB-UHFFFAOYSA-N 398.557 3.787 0 40 GHAB CN1CCN(Cn2cc(CCCC(=O)N3CCCCCC3)c3ccccc32)CC1 20646894 JSHBPOAKEKVECI-UHFFFAOYSA-N 396.579 3.572 0 40 GHAB COc1ccc(CNC(=O)CSc2nc3cc4c(cc3cc2C)OCO4)cc1 930051 WYSIUWANYIAZQY-UHFFFAOYSA-N 396.468 3.689 0 40 GHAB O=C(Oc1ccc(Cl)cc1)c1ccc(N2C(=O)c3cccnc3C2=O)cc1 1031946 KBLCUGHLOFKWIK-UHFFFAOYSA-N 378.771 3.755 0 40 GHAB COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1 1362851 SXQUWYSEMHKPSL-MRXNPFEDSA-N 381.407 3.904 0 40 GHAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)C3CCC3)c3nnnn3c2c1C 1367412 MKTFVUCNVUZAMK-UHFFFAOYSA-N 389.459 3.816 0 40 GHAB COc1cc(OC)c([C@@H]2C[C@](C)(OC)Oc3cc4c(cc32)OCO4)c(OC)c1 1611567 HWYLZHKWPDVNBJ-SPLOXXLWSA-N 388.416 3.718 0 40 GHAB O=C1Cc2ccccc2N[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 1612037 SEEMHXPJVDRSJN-FGZHOGPDSA-N 377.465 3.808 0 40 GHAB CCOc1ccc(-n2nc3ccc(NS(=O)(=O)c4ccccc4)cc3n2)cc1 2463028 RLTWHZYVPNINAG-UHFFFAOYSA-N 394.456 3.620 0 40 GHAB CCOC(=O)[C@@H](OC(=O)CCC(=O)Nc1c(C)cccc1C)c1ccccc1 2593692 TYDPDAADGQQMCH-NRFANRHFSA-N 383.444 3.870 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2N)cc1 3272447 QUAYULIKOGURAE-UHFFFAOYSA-N 381.505 3.822 0 40 GHAB Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2)o1 4890019 XGIHKVVUVVZMBB-QGZVFWFLSA-N 398.488 3.742 0 40 GHAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1csnn1)C1CCCC1 4965106 ULABKFYTEGDMBA-LJQANCHMSA-N 398.532 3.723 0 40 GHAB CN1C(=O)c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2C1=O 6638450 OZNBYPRVGKQSDN-UHFFFAOYSA-N 393.624 3.581 0 40 GHAB CCc1nnc2c(N3CCN(c4cccc(C)c4C)CC3)nc3ccccc3n12 7504165 ANSNJOQWYDVRLE-UHFFFAOYSA-N 386.503 3.783 0 40 GHAB CCC(=O)N(c1nnc(SCC(=O)Nc2cccc(Cl)c2)s1)C1CC1 7672860 OKERSCUTZGIAAK-UHFFFAOYSA-N 396.925 3.828 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2C)c(C)c1 8414418 BVLSWNPLPKZBOD-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB Cc1cc(C)c(Nc2nnc(SCCS(C)(=O)=O)s2)c(Cl)c1 53049923 IVAJJXPDSSOLKA-UHFFFAOYSA-N 377.944 3.689 0 40 GHAB Cc1csc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)n1 22396226 OZCIBTVEBOEUSN-UHFFFAOYSA-N 387.534 3.928 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20110563 ZKAHILBYFYAYAC-UHFFFAOYSA-N 392.908 3.908 0 40 GHAB Cc1cc(N)nc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n1 25065499 MKZDYDSTDMPJPI-UHFFFAOYSA-N 381.486 3.625 0 40 GHAB Cc1c(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)cccc1C(N)=O 55839254 VKICXQCEXQXEBI-UHFFFAOYSA-N 376.338 3.775 0 40 GHAB C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC(CCc2ccc(O)cc2)CC1 26114850 AIYKKKWIBQBHEN-QGZVFWFLSA-N 384.495 3.881 0 40 GHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(Br)c2)N1 36025427 BCRWILRGPQSYPJ-IRXDYDNUSA-N 385.261 3.707 0 40 GHAB biogenic CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)NCc2cccs2)s1 44921763 SSSSPGQRWAUKMS-UHFFFAOYSA-N 385.514 3.996 0 40 GHAB O=C(Nn1cnc2ccccc21)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 10301115 GYFAJHKWZFNIDL-NRFANRHFSA-N 383.407 3.874 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)CCSc2nnc(-c3cccs3)o2)c1 28230281 AKRHLCAAHOPERQ-UHFFFAOYSA-N 380.516 3.981 0 40 GHAB Cc1cc(F)ccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12790651 APHGFHRXOKEQAN-UHFFFAOYSA-N 393.344 3.784 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1cnn(Cc2ccccc2)c1 11083434 NWHUUESBNMHJEY-UHFFFAOYSA-N 383.879 3.931 0 40 GHAB COc1ccc(C(=O)COC(=O)c2cc3ccccc3[nH]2)cc1Br 11226879 RKNFOTZXZGUXKI-UHFFFAOYSA-N 388.217 3.979 0 40 GHAB Cc1cc(Br)ccc1SCC(=O)O[C@H](C(N)=O)c1ccccc1 11238456 HPEIYAUGWYSEIG-INIZCTEOSA-N 394.290 3.619 0 40 GHAB COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)Cc4ccccc4)nc3C2)cc1 2401315 IAXAPYDDJDLXCO-KRWDZBQOSA-N 387.439 3.579 0 40 GHAB CCOC(=O)c1ccoc1COC(=O)c1ccc(OCc2cscn2)cc1 11498806 OABDJJVSWHRWEN-UHFFFAOYSA-N 387.413 3.849 0 40 GHAB CN(CCOc1ccccc1Cl)C(=O)CCNC(=O)c1ccccc1Cl 12890340 YOVMGFSJTOFUAS-UHFFFAOYSA-N 395.286 3.651 0 40 GHAB C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 3455002 XBUBBUBVIIGGMS-CYBMUJFWSA-N 394.924 3.908 0 40 GHAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ccc(Cl)cc1 3483767 SAXRDMOABIDTGV-UHFFFAOYSA-N 398.802 3.981 0 40 GHAB O=C1CN2NC(=S)N(c3ccc(Cl)cc3)C2=CN1c1ccc(Cl)cc1 13545698 JITCIEVLVACGOO-UHFFFAOYSA-N 391.283 3.751 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2ccccc2OCCOc2ccccc2)CC1 13624513 POCDPDRIDXCNIN-UHFFFAOYSA-N 397.471 3.560 0 40 GHAB O=C(COC(=O)c1cc2ccccc2cc1O)N[C@@H]1CCCc2ccccc21 6122271 LIQJJSWSRLUYDS-HXUWFJFHSA-N 375.424 3.896 0 40 GHAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(C2CC2)nn1-c1ccccc1 14093333 IRJMAXXHPNBLCF-FQEVSTJZSA-N 386.499 3.754 0 40 GHAB Cc1ccc2c(COC(=O)[C@H](C)n3c(=O)oc4ccccc43)cc(=O)oc2c1C 14164626 HBTZNTGHNWCAQN-AWEZNQCLSA-N 393.395 3.622 0 40 GHAB CCOc1c(Br)cc(C(=O)NCc2ccc(F)cc2)cc1OC 5466431 CJOFIPCUIVVOJK-UHFFFAOYSA-N 382.229 3.926 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)NCc1ccc(-c2ccc(Cl)cc2)o1 8982416 HPWDCPBLISNSNA-UHFFFAOYSA-N 393.830 3.626 0 40 GHAB O=C(c1ccccc1SC[C@@H]1CCCO1)N1CCN(c2ccc(O)cc2)CC1 71016828 RECDRPLISQYNBE-IBGZPJMESA-N 398.528 3.626 0 40 GHAB O=C([C@@H](Sc1nnnn1-c1cccc(F)c1)c1ccccc1)N1CCCCC1 5564979 XEBHEJYXJPHSOG-SFHVURJKSA-N 397.479 3.647 0 40 GHAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCc3ccncc3)c12 6660192 GYYHWBAUTZOBIW-UHFFFAOYSA-N 380.444 3.534 0 40 GHAB CCCOC(=O)c1cc(NC(=O)c2ccccc2C)ccc1N1CCOCC1 4711620 NHEMYYNXRHBQBT-UHFFFAOYSA-N 382.460 3.651 0 40 GHAB CCc1nc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2nc1CC 5689555 QLKDWWYUERYIIN-UHFFFAOYSA-N 392.478 3.856 0 40 GHAB C[C@H](OC(=O)CCC(=O)c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 7396059 WGOIAEWSMQDGQT-SCUMNGBJSA-N 383.488 3.666 0 40 GHAB CCCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Br 27824260 ISMDQTJYZLSXGP-UHFFFAOYSA-N 376.316 3.659 0 40 GHAB CCc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(C)cc2)cc1 9237356 ODHHOGODVRACHM-OALUTQOASA-N 393.516 3.855 0 40 GHAB CC[C@@H](C)Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 17167000 AUWLBIBQRHWFGW-CQLSMYGBSA-N 380.469 3.643 0 40 GHAB CSc1nc(C)c(CCC(=O)NCc2ccc(CN3CCCC3)cc2)c(C)n1 8430720 OTBSGEOAHJASKN-UHFFFAOYSA-N 398.576 3.660 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 71925892 NOLMXTQOKLFZRU-WIYYLYMNSA-N 384.520 3.930 0 40 GHAB COc1cccc2c(C)c(C(=O)NC(C)(C)c3cn(-c4ccccc4)nn3)oc12 84068091 GBIXTDQDSKDTBB-UHFFFAOYSA-N 390.443 3.996 0 40 GHAB CN(Cc1ccccc1OCC(F)(F)F)[C@H]1CCN(c2ccccc2)C1=O 72305160 VHXOLEHRDNVVCU-KRWDZBQOSA-N 378.394 3.865 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc23)cc1 97228809 OPAORGYTIXAMMS-UHFFFAOYSA-N 384.335 3.850 0 40 GHAB O=C(CSc1ccc2nnc(C(F)(F)F)n2n1)Nc1cccc(Cl)c1 72402279 UPBPCFYDARCLPY-UHFFFAOYSA-N 387.774 3.527 0 40 GHAB Cc1nc(-c2ccncc2)nc(N2CCCN(C(=O)c3ccsc3)CC2)c1C 95959183 RUXQKDCUWJRVAM-UHFFFAOYSA-N 393.516 3.569 0 40 GHAB COc1ccc(CNC(=O)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)cc1 409414479 RWTOEZMPPFKTFW-YXPKMTABSA-N 395.547 3.800 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)NCc3ccccc3OC(C)C)CC2=O)cc1 408706571 BPZSGTFFZXDNLG-LJQANCHMSA-N 380.488 3.706 0 40 GHAB COc1ccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)cc1OC 32103127 ZZTPNAUSPWMANE-UHFFFAOYSA-N 391.383 3.865 0 40 GHAB COc1cccc2cc(C(=O)NCC(c3ccco3)c3ccco3)c(=O)oc12 670473349 WIDKCCGABSIKRA-UHFFFAOYSA-N 379.368 3.550 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(C)cc1 33898821 VWUOEVFLYZLZHR-GFCCVEGCSA-N 384.295 3.806 0 40 GHAB COc1cccc(-n2ccn3c(SCc4cc(C)ccc4C)nnc3c2=O)c1 64593679 LTETYEKNWHOADG-UHFFFAOYSA-N 392.484 3.798 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2cc3ccccc3oc2=O)C1=O)c1ccccc1 32124966 PHODEAMXRZIDJY-WOJGMQOQSA-N 391.404 3.712 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 223090220 YSCCVDOXTPHAOJ-OAQYLSRUSA-N 382.504 3.544 0 40 GHAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCO 223624878 AHMDCESKDPGODU-LEWJYISDSA-N 392.528 3.536 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1Cl 220300276 YJYRWKKJVSTWCF-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB O=C(c1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1F 43210858 LMZGOOSVBFOILU-UHFFFAOYSA-N 378.241 3.651 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 223047890 LKEYMARKDVGURS-HXUWFJFHSA-N 382.504 3.544 0 40 GHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1 96269089 RJDSUPLMOQVBMS-QGZVFWFLSA-N 395.425 3.600 0 40 GHAB biogenic,in-vitro CCCCC[C@]1(O)CCN(C(=O)c2ccc(C)nc2)C[C@@H]1Oc1ccccc1 257330884 XQKJOBDOVLLQFV-GMAHTHKFSA-N 382.504 3.995 0 40 GHAB Cc1nc(-c2c(C)noc2C)cc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)n1 257217559 CZMCTVDVXGOZPX-IBGZPJMESA-N 398.488 3.583 0 40 GHAB CC(C)N1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 257227804 FQYPUXBFSVZWGL-SFHVURJKSA-N 383.414 3.832 0 40 GHAB O=C(O)[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)C[C@H]1c1ccc(Cl)cc1 630173592 QFAIYYUIGLUENB-USYVTKNRSA-N 381.859 3.553 0 40 GHAB C[C@H](NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)[C@@H]1C[C@H](C(=O)O)C1(C)C 655898808 BUFCFOLUIFOCRW-SJWGOKEGSA-N 394.899 3.558 0 40 GHAB O=C1[C@H](O)CCCCN1Cc1nc(Cc2ccc(C3CCCCC3)cc2)no1 664924424 RZCXZTBKQWXTDY-LJQANCHMSA-N 383.492 3.582 0 40 GHAB O=C(N[C@H](CO)[C@@H](O)C1CCCCC1)c1ccc(-c2ccc(F)cc2)cc1F 1169415555 PFFCGLBKFMSTRA-RTWAWAEBSA-N 389.442 3.664 0 40 GHAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC[C@@H](O)CN(C)C)cc12 3251773 YJLYTSUDDPXUPO-INIZCTEOSA-N 383.444 3.578 0 40 GHAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3ccco3)CC2)on1 19123091 YGQSCNGFZIUCBB-UHFFFAOYSA-N 393.447 3.627 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)C[C@H](C)n2nnc3ccccc32)cc1OC 19455249 KJGPCJKZALLNQD-YJBOKZPZSA-N 394.475 3.763 0 40 GHAB CCN1CCC(n2nccc2NC(=O)c2cccc(-n3nc(C)cc3C)c2)CC1 19527061 KEFZYLXLEQVKFH-UHFFFAOYSA-N 392.507 3.595 0 40 GHAB COc1cc(CN2C[C@@H]3CCCN3C[C@H]2Cc2ccccc2)cc(OC)c1OC 19549906 SLROMJHAJNOPMM-LEWJYISDSA-N 396.531 3.604 0 40 GHAB Cc1nn(C)cc1C(=O)NC1CCN(CC2(c3ccccc3)CCCCC2)CC1 19583608 KKOUVBXLFPYSGP-UHFFFAOYSA-N 394.563 3.825 0 40 GHAB CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3Cc3ccc(F)cc3)c2)CC1 19698127 BKKUNJJSOZZAOM-QHCPKHFHSA-N 396.510 3.535 0 40 GHAB CCOc1ccc(NC(=O)c2ccccc2I)c(N)c1 226347080 OJWJPLGWJKYQHX-UHFFFAOYSA-N 382.201 3.524 0 40 GHAB CN(Cc1cn(C)nn1)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 664437789 PEUMPBJAMNXDEQ-SFHVURJKSA-N 375.904 3.932 0 40 GHAB O=C(CSc1nncn1-c1ccccc1)Nc1ccccc1Br 3544149 GYUQZVNLAGFTKF-UHFFFAOYSA-N 389.278 3.761 0 40 GHAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCC2)C(=O)Nc1ccc(Cl)cn1 4979587 NSRKAYCVESZSFF-LBPRGKRZSA-N 395.846 3.956 0 40 GHAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nc2ccccc21 6974751 FVLIPAOFIYUORT-AWEZNQCLSA-N 394.500 3.912 0 40 GHAB CC(C)c1nccc(N2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)n1 1888843514 IQNCVUFWOLBNRG-KBPBESRZSA-N 376.302 3.932 0 40 GHAB O=C(N[C@@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cc(Cl)ccc1F 1889146245 LGJGHEMCWUTZQA-OAHLLOKOSA-N 384.842 3.878 0 40 GHAB O=C(CCCNC(=O)NC1CCCCC1)N[C@@H]1CCSc2ccc(F)cc21 14199287 KZDWUWNYSCQUOP-QGZVFWFLSA-N 393.528 3.891 0 40 GHAB O=c1c2oc3ccccc3c2n(Cc2cccc(F)c2)c(=O)n1Cc1ccco1 4316099 QLWVFFGSOZZBKI-UHFFFAOYSA-N 390.370 3.738 0 40 GHAB COc1ccccc1-n1ccnc(SCC(=O)Nc2cc(C)cc(C)c2)c1=O 4853166 CVEXMZGESYASMU-UHFFFAOYSA-N 395.484 3.589 0 40 GHAB Cc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3F)c2=O)cc1F 4853112 QWXXOAMKIFPGCJ-UHFFFAOYSA-N 387.411 3.550 0 40 GHAB CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3F)ccc21 8840918 KHLMGSJSJYGHGA-UHFFFAOYSA-N 390.480 3.952 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3)s2)c1 9364287 AELCRSNDELGCEO-UHFFFAOYSA-N 384.486 3.830 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(Nc3cc(OC)nc(C)n3)cc2)cc1 12225281 QYZQRVMYIWTQBO-UHFFFAOYSA-N 378.432 3.727 0 40 GHAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1cc(-c2ccccc2)[nH]n1 575616765 MONUJJSMAQIMPS-UHFFFAOYSA-N 387.390 3.683 0 40 GHAB COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(-c2ccsc2)o1 575610487 NXHQVPGJOXPVSX-UHFFFAOYSA-N 390.848 3.925 0 40 GHAB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccccc1O 10499850 QLLZKBSCHQGUGO-UHFFFAOYSA-N 381.457 3.605 0 40 GHAB O=C(NCc1nnc2n1CCCCC2)c1ccc(C2SCCCS2)cc1 40012922 IISHGYAIIJOTGD-UHFFFAOYSA-N 388.562 3.803 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H](C)SCc3ccccc3)C2)nc1 40145930 CQOUDXLJZFIUHF-IEBWSBKVSA-N 397.544 3.889 0 40 GHAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cccnc1 20171531 GVXYGIDFWDSLHJ-NVXWUHKLSA-N 387.553 3.783 0 40 GHAB FC(F)(F)c1cnc(N2CCN(c3ccc(Cl)nn3)CC2)c(Cl)c1 20218720 PEDMGPZAKVCYPN-UHFFFAOYSA-N 378.185 3.524 0 40 GHAB O=C(c1ccco1)n1nc(-c2cccnc2)nc1NCc1ccc2[nH]ccc2c1 32097149 XMNXONZPFMPFCF-UHFFFAOYSA-N 384.399 3.715 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)Nc2cc(C(C)(C)C)ccc2O)CC1=O 21006570 CPGNDGDPFNTKHM-AWEZNQCLSA-N 382.460 3.690 0 40 GHAB O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 629770 PDHGLBYVWDRNFC-UHFFFAOYSA-N 385.375 3.527 0 40 GHAB Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C[C@@H]2CCCO2)cc1 790199 BWTVBXJGCRZCIF-NRFANRHFSA-N 390.483 3.966 0 40 GHAB CCOC(=O)[C@]1(CCC(C)C)C[C@@H](CSc2nc3ccccc3[nH]2)OC1=O 849611 TUQCHRGLROOUSM-XOBRGWDASA-N 390.505 3.956 0 40 GHAB CCOC(=O)c1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1 850435 UVNMTEHXSZAZSK-UHFFFAOYSA-N 392.249 3.952 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(NC(=O)CC)cc2)nnc1C(C)C 1364258 ZQRFAXKPXVJODE-UHFFFAOYSA-N 389.525 3.891 0 40 GHAB COc1cc([C@H](C)c2cc3c(cc2OCC(C)=O)OCO3)cc(OC)c1OC 1612541 FXQUOECVAMEKBG-ZDUSSCGKSA-N 388.416 3.561 0 40 GHAB COc1ccccc1N1C[C@](O)(c2ccc(OC(F)F)cc2)[N+]2=C1CCCC2 2966238 DKWFLYRLRZZUPJ-NRFANRHFSA-N 389.422 3.557 0 40 GHAB O=c1nc(CN(Cc2ccccc2)C[C@@H](O)c2ccccc2)[nH]c2ccsc12 32873638 AKHZPZSHERDSGS-LJQANCHMSA-N 391.496 3.720 0 40 GHAB O=C(NCCCN1CCCCCC1=O)c1csc(-c2ccc(Cl)cc2)n1 32841409 ILKUIHNQWCDCJR-UHFFFAOYSA-N 391.924 3.986 0 40 GHAB C[C@H](OC(=O)c1cc2c(s1)CCCC2)C(=O)Nc1ccc2c(c1)OCCO2 4581295 HPTCGBCOQBZNFG-LBPRGKRZSA-N 387.457 3.582 0 40 GHAB Cc1cc(C)cc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccncc2)c1 4854869 SOIGKRBHGNMAOX-UHFFFAOYSA-N 395.532 3.953 0 40 GHAB Cc1ccc(CNC(=O)[C@@H](C)Sc2nnc(C)n2Cc2ccccc2)cc1 7362032 RQHFLPZJLJTVEU-MRXNPFEDSA-N 380.517 3.740 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(C)c(C)c3)CC2=O)c(C)c1 7881452 RXLLBWJBZBQNLE-IBGZPJMESA-N 379.456 3.699 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NCC(C)C 8500034 KRUBGJNGWDMQCQ-GOSISDBHSA-N 384.476 3.877 0 40 GHAB CC(C)CC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 8503457 KVSJKMWZCNWXKV-QMHKHESXSA-N 395.503 3.548 0 40 GHAB COc1ccc(-c2cnc(NCc3cc(OC)c(OC)c(OC)c3)n2C)cc1 819122 UDSUDNPVEPFHNV-UHFFFAOYSA-N 383.448 3.734 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](C)N2CCCc3c(NC(C)=O)cccc32)cc1 54368124 XXNAVDSVUPNZII-OAHLLOKOSA-N 381.476 3.824 0 40 GHAB CCS(=O)(=O)N1CCc2cc(-c3csc(Nc4ccccn4)n3)ccc21 23625563 RHMJMHODDXKJJX-UHFFFAOYSA-N 386.502 3.661 0 40 GHAB Cc1c(NC(=O)N[C@@H](c2ccccc2)C2CC2)c(=O)n(-c2ccccc2)n1C 58264460 WMRLPLASQCDKHQ-FQEVSTJZSA-N 376.460 3.757 0 40 GHAB CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 55686877 BFZZKSYQVKYREY-UHFFFAOYSA-N 378.428 3.964 0 40 GHAB COc1ccccc1CNC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1 1402122 RSYAIKPTDHVCKX-UHFFFAOYSA-N 396.394 3.595 0 40 GHAB CC(C)[C@H](NCC(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1 57383474 GIZAADQGXIBHPL-IBGZPJMESA-N 394.924 3.669 0 40 GHAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 20455510 ORPSRVOIIKOSDT-GOSISDBHSA-N 391.489 3.532 0 40 GHAB CCCn1c(SCC(=O)Nc2ccccc2F)nc2ccsc2c1=O 57425195 HFTXRHGKEVXJFC-UHFFFAOYSA-N 377.466 3.738 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2F)cc1F 57014606 YLDNHXGFLURZGU-UHFFFAOYSA-N 392.221 3.561 0 40 GHAB CN(CCC(=O)Nc1cccc2ccccc12)C[C@H]1COc2ccccc2O1 26922351 WYOIFTLSYLNPCV-SFHVURJKSA-N 376.456 3.940 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CN(C)Cc3c(F)cccc3Cl)n2)cc1 12686460 OXMSKLLRDVWFHU-UHFFFAOYSA-N 386.862 3.930 0 40 GHAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 48255549 RHGHXSYTVPDIHB-HXUWFJFHSA-N 394.519 3.986 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(NC(C)=O)cc3)o2)cc1 63887435 XEDKUXZYBOWGJS-UHFFFAOYSA-N 379.416 3.880 0 40 GHAB Cc1cc2oc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)cc(=O)c2cc1Cl 28290165 AFJUBAKTPWUIJC-SNVBAGLBSA-N 398.802 3.727 0 40 GHAB O=C([C@@H]1CCCN(c2cnccn2)C1)N(Cc1ccco1)Cc1cccs1 45714320 VDYZESMPQIVUNZ-MRXNPFEDSA-N 382.489 3.577 0 40 GHAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NC[C@H]1CCCO1 3456704 HHTKQHWBOUXLMV-MRXNPFEDSA-N 397.475 3.823 0 40 GHAB C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 62580154 OICAPYNIKOMQAD-AWEZNQCLSA-N 387.459 3.751 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)CN(C)Cc2nc3ccccc3s2)c1C 12980401 ORKHUGICVGUONF-UHFFFAOYSA-N 385.489 3.733 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccc(F)c(F)c1 13006924 CYSBUGCUTZHITG-TZMCWYRMSA-N 378.444 3.756 0 40 GHAB Cn1c(Cl)cnc1Cc1nc(-c2cc3c(cc2F)NC(=O)CC3)cs1 63630635 JQITVLWRAJWAGK-UHFFFAOYSA-N 376.844 3.812 0 40 GHAB O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@H](c2cccc(O)c2)O1 4168285 PFXLZTNQSFWTIG-GGAORHGYSA-N 391.423 3.943 0 40 GHAB CC(C)Cn1cc[nH]/c1=N\C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 64661236 FJXWMSRQQPABSR-UHFFFAOYSA-N 383.473 3.713 0 40 GHAB Cn1cc(C(=O)Nc2ccc(-n3cccn3)c(F)c2)c(-c2ccc(F)cc2F)n1 70788449 DTJFHZGYNKGQLD-UHFFFAOYSA-N 397.360 3.942 0 40 GHAB CC(C)n1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 65322424 HNHXWWDNONTBJP-UHFFFAOYSA-N 396.466 3.841 0 40 GHAB CCN(CC)CCCn1cnc2c(c1=N)[C@H](c1ccco1)c1ccc(O)cc1O2 5345784 YOZCZXGCTVVERP-IBGZPJMESA-N 394.475 3.679 0 40 GHAB Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 6425177 FSKRHIBVYPAVAX-KRWDZBQOSA-N 396.871 3.579 0 40 GHAB COc1ccc(-c2nnc(S[C@@H]3CCOC3=O)n2CCc2ccccc2)cc1 4549534 NABIAXYBOVQPQE-GOSISDBHSA-N 395.484 3.604 0 40 GHAB COc1cc(C=O)cc(I)c1OCCOc1ccccc1 4502090 KJLSJECDDRCHDV-UHFFFAOYSA-N 398.196 3.570 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2ccccc2I)c1 4546413 RIQSCDXVOHAAMX-UHFFFAOYSA-N 380.185 3.502 0 40 GHAB c1ccc(-c2nc3ccccc3n2Cc2nc3c4ccccc4ncn3n2)nc1 4629462 NWKZGRVCBJURJT-UHFFFAOYSA-N 377.411 3.738 0 40 GHAB O=C(NC1CCCCC1)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 8939709 JOUUVPREQHEALU-UHFFFAOYSA-N 389.455 3.843 0 40 GHAB CCOc1ccc2nc(NC(=O)CCn3c(=O)oc4ccccc43)sc2c1 7280393 ZHIGWEGKVIPGJG-UHFFFAOYSA-N 383.429 3.632 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)c2ccc3cc(OC)ccc3n2)CC1 24885768 XUUZEQINJRZGQT-UHFFFAOYSA-N 390.487 3.638 0 40 GHAB Cc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)n2)s1 7735518 QPFBEUBNNNLDMM-LBPRGKRZSA-N 375.519 3.910 0 40 GHAB Cc1ccc(C)c(OCc2nnc(SCN3C(=O)c4ccccc4C3=O)o2)c1 7783854 FUJYVALHUIGJFK-UHFFFAOYSA-N 395.440 3.611 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)cc1 7842157 BEEJMWSPVASQDW-UHFFFAOYSA-N 382.357 3.623 0 40 GHAB O=S(=O)(c1cccc(Nc2ncnc3sccc23)c1)N1CCCCCC1 8198106 TWGVMGFDDQCNSP-UHFFFAOYSA-N 388.518 4.000 0 40 GHAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccccc1C(=O)NC1CC1 16708036 FJSFWPLJVQBSCH-UHFFFAOYSA-N 390.443 3.590 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 16780240 WSLHPJWLOCFGHW-UHFFFAOYSA-N 383.517 3.503 0 40 GHAB C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8280305 AMQJJGCAWLTISH-AWEZNQCLSA-N 390.468 3.820 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 9614677 OIWOABANHOJSQW-UHFFFAOYSA-N 390.439 3.886 0 40 GHAB biogenic Fc1cc(Br)ccc1-c1nnc2sc(-c3[nH]ncc3Cl)nn12 72404051 GASMWZHYXVVUDR-UHFFFAOYSA-N 399.636 3.798 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)C3(CCC3)C2)ccc1C 95458073 GSQMWLZVQJQROE-KRWDZBQOSA-N 392.565 3.678 0 40 GHAB Cc1nc(NC[C@](C)(O)c2cnn(C)c2)c2c(-c3ccccc3)csc2n1 95961072 IBCDFZXDCNUNMB-FQEVSTJZSA-N 379.489 3.720 0 40 GHAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[C@H](OCc2ccccn2)C1 79110173 NXELGPPUFAUMIG-NRFANRHFSA-N 398.466 3.852 0 40 GHAB COc1ccccc1[C@H](C)NS(=O)(=O)c1cccc(OC(F)(F)F)c1 24368100 AUCRJHNQTLMBPR-NSHDSACASA-N 375.368 3.633 0 40 GHAB Cc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C(=O)NCC(C)C 408582153 BQLVXMQZGUYDEM-UHFFFAOYSA-N 394.924 3.513 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSCc1ccccc1C 408564599 YAYOXNLPSBEWLJ-UHFFFAOYSA-N 389.473 3.671 0 40 GHAB O=S(=O)(Nc1cccc(-c2nc[nH]n2)c1)c1ccccc1-c1ccccc1 509667515 RIXQOBQARHCXAX-UHFFFAOYSA-N 376.441 3.940 0 40 GHAB O=C(Nc1ccc2ccccc2c1)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 408976261 QBBDABCWHPCDTE-UHFFFAOYSA-N 394.390 3.683 0 40 GHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccccc3)C2=O)cc1 210812966 NUMKSBLNFANOFE-YSWHLYNJSA-N 394.452 3.926 0 40 GHAB COc1ccc(CNC(=O)CCSCc2ccccc2)c(OC)c1OC 218993753 BPHNNDSDHCPMLQ-UHFFFAOYSA-N 375.490 3.652 0 40 GHAB O=c1[nH]c(CSc2nnc(-c3ccncc3)o2)nc2sc3c(c12)CCCC3 124182720 OVJPVIAUVLIXAZ-UHFFFAOYSA-N 397.485 3.601 0 40 GHAB Cn1c2ccccc2c2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)nc21 35312713 ABKNNOFRIQGWBH-UHFFFAOYSA-N 389.484 3.736 0 40 GHAB CN1CCC(N2CCOC[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)CC1 72321970 ZXTSFTURNLQBPS-SFHVURJKSA-N 394.441 3.563 0 40 GHAB biogenic,in-vitro COc1ccc(-c2cccc([C@H]3CCCN(CC(=O)N4CCCCC4)C3)n2)cc1 72348702 NFWQMRVFRUQKND-FQEVSTJZSA-N 393.531 3.949 0 40 GHAB Cc1cccc(Nc2ccc(C3CCN(Cc4cnn(C)c4C)CC3)nc2)n1 72374234 VNZUAKAHDBVCRM-UHFFFAOYSA-N 376.508 3.950 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 223582427 DTFDHYCTTNOPPB-IBGZPJMESA-N 382.504 3.544 0 40 GHAB CCOc1cccc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c1 220518143 OCQHPPWZMFTVOC-IBGZPJMESA-N 390.505 3.577 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1C 225419360 FBKBPGVGSLKPAM-RTBURBONSA-N 396.531 3.878 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 223622727 CBCBQWCFXOYFES-IBGZPJMESA-N 382.504 3.707 0 40 GHAB CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 223046105 HHQMCTGPRSOZPE-DEOSSOPVSA-N 386.495 3.963 0 40 GHAB Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCC(C)CC3)n2)o1 225916685 MYPZAVJDSJZNPW-UHFFFAOYSA-N 379.917 3.754 0 40 GHAB Cc1nc2nc3ccn(Cc4ccco4)c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398370 NVLMDVJDZUCNOT-UHFFFAOYSA-N 391.818 3.709 0 40 GHAB NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)C1 45887366 FKELTDVGLYQBAD-SECBINFHSA-N 390.226 3.640 0 40 GHAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222665925 SOXZMSGJIXJXDG-QGZVFWFLSA-N 382.504 3.570 0 40 GHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)n1C 223890398 CTBPJOLXNYEHIL-SFTDATJTSA-N 391.544 3.972 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 222492017 LVTRYKSDSLSHKY-OAHLLOKOSA-N 390.936 3.986 0 40 GHAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)c3cccs3)CC2)Oc2ccccc21 96053187 IXWADPLEMSJYLF-MRXNPFEDSA-N 398.528 3.768 0 40 GHAB Cc1c(NC(=O)[C@@H]2C[C@]23CCOc2ccc(C(C)C)cc23)cccc1C(N)=O 583619840 ORXOTNBGPYVRKQ-MBSDFSHPSA-N 378.472 3.896 0 40 GHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccnc(OC2CCOCC2)c1 240122675 WGMNMXSZWUBSGF-UHFFFAOYSA-N 394.393 3.631 0 40 GHAB Cc1cc(Nc2ncc(F)c(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)[nH]n1 257289756 QABBYKSSDGYKBS-ZDUSSCGKSA-N 390.463 3.580 0 40 GHAB CCn1c(C)nc2cc(C(=O)N(CCCc3ccccc3)CC(=O)O)ccc21 257236458 HCHQMHCYHOSXSB-UHFFFAOYSA-N 379.460 3.524 0 40 GHAB CCCCc1cc(C(=O)N2CCC[C@@]3(C[C@@H](Oc4ccccc4)CO3)C2)[nH]n1 257309717 UCCQHSPGSCTSHJ-DENIHFKCSA-N 383.492 3.595 0 40 GHAB Cc1nc(-c2ccc(CNC(=O)N3CCC[C@@H](c4ncc[nH]4)C3)s2)cs1 590151417 NMWJFOVHRHYDEE-CYBMUJFWSA-N 387.534 3.992 0 40 GHAB Ic1cccc(-c2noc(CCc3ccncc3)n2)c1 612889001 NVOOCAALOQVKBB-UHFFFAOYSA-N 377.185 3.521 0 40 GHAB CC(C)c1ccc(-c2csc(NC(=S)N[C@@H]3C=CS(=O)(=O)C3)n2)cc1 575426095 MKINMIBYBBVAOY-CQSZACIVSA-N 393.559 3.531 0 40 GHAB CC(=O)Nc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1 149877626 ABZCXQGJBVWZBD-UHFFFAOYSA-N 380.473 4.000 0 40 GHAB CC1(C)C[C@]2(CCCN2C(=O)c2cnn3cccnc23)CN1c1cccc(F)c1 1615152628 BNEYDFVMXANDKV-JOCHJYFZSA-N 393.466 3.532 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1nnc2ccccc2c1=O 5324437 HZJCDHLOMCHEOY-VIFPVBQESA-N 396.756 3.663 0 40 GHAB O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1ccccc1C(F)(F)F 5522473 QAKVSGIGUAAGCN-UHFFFAOYSA-N 379.367 3.616 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(NC(=O)C2CCCCC2)s1 12643255 IVLHWVZELOVFDO-BETUJISGSA-N 396.582 3.939 0 40 GHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 14400542 UIHADZVANHAIKV-QGZVFWFLSA-N 389.455 3.726 0 40 GHAB O=C(OCCC[C@@H]1CCCO1)c1ccccc1C(=O)OCCC[C@H]1CCCO1 17148333 HMZMEQBUUZQNNN-HDICACEKSA-N 390.476 3.919 0 40 GHAB O=C1CCC(=O)N1c1cccc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)c1 19371032 DIIDVZGIRUWNMR-HXUWFJFHSA-N 390.483 3.968 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H](C)Cn2cc(Cl)cn2)c1 19457310 SMGAZKLTLSZNBX-GUYCJALGSA-N 377.872 3.554 0 40 GHAB CCC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 19499735 SIEPYYDQWWNDHM-IBGZPJMESA-N 396.564 3.791 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccncc3)cc2N1 19520757 HIFVFOFOZJIDBG-VNQPRFMTSA-N 393.413 3.953 0 40 GHAB CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1cccn1-c1ccncc1 19527162 WBFOYEVIEONDNU-QFIPXVFZSA-N 375.520 3.754 0 40 GHAB COc1cc(NC(=O)c2cn3cccc(C)c3n2)ccc1-n1nc(C)cc1C 19665473 DFVSJWQYUNACSO-UHFFFAOYSA-N 375.432 3.706 0 40 GHAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OC(C)=O 6186452 ARDPQMHCTJRMEY-WOJGMQOQSA-N 383.425 3.857 0 40 GHAB CCC(=O)Oc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC(=O)CC 5417059 JFQZNSCTXDKJBA-VBKFSLOCSA-N 393.395 3.662 0 40 GHAB C[C@H](NC(=O)N[C@H](C)C1CCC(F)(F)CC1)c1ncc(Br)cn1 654573448 FAONQMXBKQMQCU-ZJUUUORDSA-N 391.260 3.813 0 40 GHAB CN1CCN(CCc2ccccc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19589489 KKLXDSYEBKDJSQ-RUZDIDTESA-N 399.538 3.924 0 40 GHAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cccc(Nc2ncccn2)c1 19662640 JFESMHOXTDNQJY-UHFFFAOYSA-N 386.415 3.542 0 40 GHAB CCCSCC(=O)N[C@@H](c1ccc(Br)cc1)c1nccn1C 585138468 UAVMYHXRFWWEEA-HNNXBMFYSA-N 382.327 3.531 0 40 GHAB Cc1cc2oc(=O)cc(COC(=O)c3cccc(C[S@](C)=O)c3)c2cc1C 10236576 MQURZDUMHGNHHC-HHHXNRCGSA-N 384.453 3.645 0 40 GHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(-n2cncn2)nc1 29272058 ANFLBNJUSABEHK-UHFFFAOYSA-N 398.785 3.671 0 40 GHAB Cc1ccc(OCC2(O)CCN(C(=O)CCc3ccc(F)cc3)CC2)cc1C 2037912891 BSARSOZEMXOOBG-UHFFFAOYSA-N 385.479 3.808 0 40 GHAB O=C(c1ccc(F)c(Cl)c1)N1CCC[C@@](O)(COc2ccccc2)CC1 2037912926 DMXWYXQFFOPWMK-FQEVSTJZSA-N 377.843 3.915 0 40 GHAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)c1ccc(Cl)cc1 4377060 YDSXRRIMMAUXKU-UHFFFAOYSA-N 381.848 3.815 0 40 GHAB O=C(CSc1ccc2nnc(-c3cccs3)n2n1)Nc1cccc(F)c1 4326615 OCRCTUMKDWVRFC-UHFFFAOYSA-N 385.449 3.723 0 40 GHAB CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCCC2)cc1 8864363 POOQYSCYSHJUHA-LJQANCHMSA-N 385.533 3.763 0 40 GHAB O=c1c(SCc2ccc(Cl)cc2)nccn1-c1ccc2c(c1)OCCO2 9753197 GUQFEIXXDIRHNU-UHFFFAOYSA-N 386.860 3.949 0 40 GHAB O=S(=O)(NCC[C@H](CCO)c1cccs1)c1cc(Cl)ccc1Cl 575606631 INIFCXBSZBOGTF-LLVKDONJSA-N 394.345 3.890 0 40 GHAB C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccccc2)cc1)C(=O)O 35958358 JIVPARBYTWXEMI-WUFNSSIPSA-N 384.457 3.775 0 40 GHAB COc1ccccc1[C@@H](C)N(C)S(=O)(=O)c1ccccc1OC(F)(F)F 30523863 AYFLJFGVDBCPNQ-GFCCVEGCSA-N 389.395 3.976 0 40 GHAB CCN(CC)[C@H](CNC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 40103832 VRIHDQJZTSFFDQ-FQEVSTJZSA-N 397.519 3.923 0 40 GHAB CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cccc(Cl)c21 32094910 JQVWPOWBSLJRKH-HXUWFJFHSA-N 378.819 3.780 0 40 GHAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)N1CCCCC1 902820 NRBVUICJIHWXRD-UHFFFAOYSA-N 388.537 3.598 0 40 GHAB CN(C)C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccc1 29954015 DWOUWZOKQCHETI-FQEVSTJZSA-N 392.478 3.533 0 40 GHAB CCOc1ccc(-c2noc(CCC(=O)N3CCc4ccccc4C3)n2)cc1 32779776 JTPZOKNNDKGXGX-UHFFFAOYSA-N 377.444 3.653 0 40 GHAB CC[C@@H](c1nnc(Sc2cc(C)nc(C)n2)n1-c1ccc(OC)cc1)N(C)C 32769898 JVTKNJFKUBRBGX-KRWDZBQOSA-N 398.536 3.847 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 8714848 HTRKOYBJNFVRKV-AAEUAGOBSA-N 376.316 3.705 0 40 GHAB Cn1c(SCc2cc(=O)oc3cc4c(cc23)CCC4)nnc1-c1ccco1 3555313 KHNQHABEZJLFMF-UHFFFAOYSA-N 379.441 3.963 0 40 GHAB Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]2CCCO2)c1 4540666 NSUSANJMRJDMOV-NRFANRHFSA-N 390.483 3.966 0 40 GHAB CCOC(=O)c1cnc(SCc2nc(-c3cccs3)oc2C)nc1N 6900237 COQKKUPIIKTVHF-UHFFFAOYSA-N 376.463 3.553 0 40 GHAB Cc1ccc(-n2cnnc2SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1Cl 10249228 BEOAOKBHQYVOPX-BETUJISGSA-N 378.929 3.826 0 40 GHAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10324156 FHJRSQBESCESFX-LLVKDONJSA-N 378.881 3.611 0 40 GHAB Cc1cccc2cc(CN(CCCO)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12 8582828 WUWXFNXIPKIWEM-UHFFFAOYSA-N 399.878 3.906 0 40 GHAB CC(C)CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810910 UFDSFESRCQYFMQ-UHFFFAOYSA-N 382.432 3.542 0 40 GHAB COc1cccc(CO[C@H](C)C(=O)NCCNc2ncc(Cl)cc2Cl)c1 47163193 JRXCDWIMGKHCRO-GFCCVEGCSA-N 398.290 3.530 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CCc1nc(-c2ccncc2)no1 10995555 QQXXRIWLLCPNSC-UHFFFAOYSA-N 387.237 3.774 0 40 GHAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CNc1ccccc1 725175 IVZXDEWHZPGXHY-BBITVKMKSA-N 380.447 3.948 0 40 GHAB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1OC 803117 DOTPQRYUNQHMCK-GJZGRUSLSA-N 385.855 3.677 0 40 GHAB COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCCC4)c3N2)c1 884213 VCUQYMPHIATLAO-JKSUJKDBSA-N 394.397 3.788 0 40 GHAB CCCCc1nc2ccccc2n1C[C@H](O)COCc1ccc2c(c1)OCO2 23387568 PKSQCHMLFAEMRU-KRWDZBQOSA-N 382.460 3.685 0 40 GHAB COc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2)c1 59502199 RIKGADSSUDZGNS-UHFFFAOYSA-N 386.407 3.596 0 40 GHAB COC(=O)c1ccoc1COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 23503112 ZQNZYDYFMJKTTJ-UHFFFAOYSA-N 398.390 3.627 0 40 GHAB CCc1ccccc1NC(=O)[C@@H](CC)N(c1ccccc1F)S(C)(=O)=O 113967199 BBHFXUWPFFVWCL-QGZVFWFLSA-N 378.469 3.571 0 40 GHAB O=C1CCSc2ccc(C(=O)NCCCn3ccc4ccccc43)cc2N1 12550534 AJMJTFLFMMJOIJ-UHFFFAOYSA-N 379.485 3.896 0 40 GHAB O=C(NCc1ccc(O)cc1)C1CCN(C(=O)c2cccc3ccccc23)CC1 43485108 ZKJSDIKEZCESQP-UHFFFAOYSA-N 388.467 3.714 0 40 GHAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 12584383 RAVQNYJAOFRQNV-UHFFFAOYSA-N 389.377 3.826 0 40 GHAB COc1ccc2nc(C)c(C(=O)NCCc3ccc(OC)c(OC)c3)cc2c1 25952483 OJFVURRQGBPVGX-UHFFFAOYSA-N 380.444 3.542 0 40 GHAB CN1C(=O)C[C@@H](N2CCc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2)C1=O 107171421 XLPCOGPJUAAQEN-WIYYLYMNSA-N 393.874 3.526 0 40 GHAB biogenic COC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)c1C 56132106 FNTIRXCQLQCTQO-QGZVFWFLSA-N 394.475 3.672 0 40 GHAB Cc1ccccc1-n1c(C)nn(CN2CCN(c3ccccc3)CC2)c1=S 56552608 WOPSJVYXELGIFO-UHFFFAOYSA-N 379.533 3.800 0 40 GHAB O[C@@H](CSc1ccccc1Cl)CN1CCN(c2ccccc2F)CC1 20385099 AJYMPTJHOJJOAX-OAHLLOKOSA-N 380.916 3.754 0 40 GHAB COc1cccc(-c2nn3c(O)cc([C@H](C)Cn4nccc4C)nc3c2C)c1 100775737 XXAFVERNDIYFCH-CYBMUJFWSA-N 377.448 3.728 0 40 GHAB CCN(C(=O)COC(=O)c1ccc2c(c1)OCO2)c1cccc2ccccc12 3216403 JLMCGDIVJZLDAA-UHFFFAOYSA-N 377.396 3.778 0 40 GHAB Cc1ccc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cc1S(C)(=O)=O 44506883 FASCOFIXILMRTD-RDTXWAMCSA-N 387.501 3.920 0 40 GHAB Cc1nnc([C@H](C)Sc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)o1 48186677 VFEMXPCKTHTIAW-NHYWBVRUSA-N 389.456 3.808 0 40 GHAB Cc1ccc(Cl)c(OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1 3327876 WVOVOIDVDYCNKZ-UHFFFAOYSA-N 388.272 3.771 0 40 GHAB CCc1cc2c3c(c1)[C@]1(NCCO1)C(=O)N3C(C)(C)C[C@@]2(C)c1ccccc1 22362796 VLKMYKHTGWTPPD-BJKOFHAPSA-N 376.500 3.857 0 40 GHAB CC(C)Oc1ncc(C(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@H]2C)cc1Cl 97159116 IVOPCQWJFOIQFW-DOMZBBRYSA-N 387.867 3.530 0 40 GHAB O=C(NCCc1nc2c(s1)CCCC2)[C@H]1COc2ccc(Cl)cc2C1 58330128 SOLAEMZQJQXACH-CYBMUJFWSA-N 376.909 3.585 0 40 GHAB Cc1ccc(/C=C/c2nc3s/c(=C\C4=Cc5ccccc5OC4)c(=O)n3n2)cc1 27022953 BGRFAUUCRHUQKR-RBJTVHIQSA-N 399.475 3.605 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1NS(C)(=O)=O 58406515 FLUKAIOVTPBDAN-LSDHHAIUSA-N 378.881 3.762 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1 2237704 IEOYRRDUQFXSLW-UHFFFAOYSA-N 382.489 3.920 0 40 GHAB Fc1ccc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc1 306139799 UAWYEGHIEVFEAC-GOSISDBHSA-N 379.483 3.848 0 40 GHAB O=C(Nc1ccc(CNS(=O)(=O)c2c(Cl)cccc2Cl)cc1)C1CC1 10670280 IEPZYSCNDJKQLQ-UHFFFAOYSA-N 399.299 3.820 0 40 GHAB COC(=O)c1ccc(OC(=O)c2csc(-c3ccsc3)n2)c(OC)c1 29478765 GZAUTCMXOJKBHW-UHFFFAOYSA-N 375.427 3.886 0 40 GHAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 12802659 IVOHWDOVUAKOIX-MTVPDVBBSA-N 382.460 3.912 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Br)cc1 12988049 VVPWDBJRJNJQMC-INIZCTEOSA-N 396.306 3.984 0 40 GHAB CC(C)Cc1ccc([C@@H](C)NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1 13038324 YNKMJMYIOHGEQW-QGZVFWFLSA-N 399.510 3.772 0 40 GHAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 18941264 NQLZVZPMNYGPEM-UHFFFAOYSA-N 386.498 3.703 0 40 GHAB COc1ccccc1CN1CC[C@]2(C1)CN(Cc1cccnc1)c1cccnc12 306132023 KVVYTEWGGDAHPE-DEOSSOPVSA-N 386.499 3.649 0 40 GHAB CC(C)(C)OC(=O)C[C@](NC(=O)OCc1ccccc1)(C(=O)O)C(C)(C)C 64219531 ZHGNHTWIPSVANW-FQEVSTJZSA-N 379.453 3.514 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)cn2)cc1 19163854 KJWWGIYKPKFVQU-UHFFFAOYSA-N 395.484 3.858 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)c1cnc2sccn2c1=O 4121080 WRMRUCFNQKLVFV-UHFFFAOYSA-N 389.480 3.708 0 40 GHAB Cc1ccc(P(=Nc2ccccc2C)(N2CCOCC2)N2CCOCC2)o1 4154821 MCQAEMKYYPXAJD-UHFFFAOYSA-N 389.436 3.549 0 40 GHAB CCN(CC)c1ccc(NC(=O)[C@H](NC(=O)COc2ccccc2)C(C)C)cc1 29102336 UACGUAXTTCNDIP-JOCHJYFZSA-N 397.519 3.691 0 40 GHAB Cc1csc(CCNC(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)n1 64850881 XEMQNNUWUJLJFT-UHFFFAOYSA-N 398.450 3.877 0 40 GHAB COc1ccc(NC(=O)CSC2=NC(C)(C)Nc3ccccc32)c(OC)c1 4372210 GDQGZKRLPAZIGQ-UHFFFAOYSA-N 385.489 3.984 0 40 GHAB O=C(NCCC1=CCCCC1)c1cc(=O)[nH]c2ccc(Br)cc12 71775369 FRQHQLQMQSFFDW-UHFFFAOYSA-N 375.266 3.911 0 40 GHAB COc1cc(S(=O)(=O)N2CCc3ccccc3C2)c(C)cc1Br 27588595 UCXYIUBNSSJXDT-UHFFFAOYSA-N 396.306 3.513 0 40 GHAB COc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 5451097 MXCQOVNVTCLATK-UHFFFAOYSA-N 390.226 3.800 0 40 GHAB CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c(C)c1 66347420 QEUFWIFJLNGTBO-MRXNPFEDSA-N 398.482 3.532 0 40 GHAB Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@H](Cc1ccccc1)C(=O)O 71335625 XRVWDPGFAIBUDM-MRXNPFEDSA-N 384.432 3.683 0 40 GHAB CC1CCC2(CC1)NC(=O)N(Cc1cc(Cl)c3c(c1)OCCCO3)C2=O 7086427 WBRIKBMGEXPFQD-UHFFFAOYSA-N 378.856 3.502 0 40 GHAB Nc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1-c1ccccc1 7097832 MWNTXPDTKJGFFS-UHFFFAOYSA-N 393.394 3.599 0 40 GHAB Cc1cc(C)n2nc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)nc2n1 8039439 KOHSMGHFJRIGFD-OAHLLOKOSA-N 392.488 3.718 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCN2C(=O)c3ccccc3N[C@H]2C(C)C)cc1 61718796 IFNUAMXGAQQZTG-OAQYLSRUSA-N 394.475 3.524 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccccc2C)c2c(C)cc(C)cc21 9872578 RGYUPSKSIFPJLB-QHCPKHFHSA-N 381.472 3.594 0 40 GHAB Cc1nc(CNC(=O)OC(C)(C)C)ccc1C(=O)N1CC[C@H](CC(C)C)C1 95453390 FKJJTIXBWBEERQ-MRXNPFEDSA-N 375.513 3.923 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1cccc(-n2cc(Br)cn2)c1 89780878 RCEWADQHUJOBPE-UHFFFAOYSA-N 386.205 3.616 0 40 GHAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC[C@@H]1C1CCCCC1 75358639 ARWOORIAKZYBOH-WOJBJXKFSA-N 375.509 3.682 0 40 GHAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)cc1 306138981 SMFISPMLMMHMBX-XMMPIXPASA-N 384.483 3.589 0 40 GHAB CCOC(=O)N[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)CC(C)C 31704177 AVLCGOALYZECOP-INIZCTEOSA-N 376.428 3.976 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 30862630 BEVGVUPIDPUFEU-GOSISDBHSA-N 399.443 3.673 0 40 GHAB CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCCC(=O)O 35671868 IWYKHGSMZDARPQ-ZHACJKMWSA-N 394.364 3.623 0 40 GHAB CCc1nnc(S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)O)o1 213412779 QFNLOCRVHBDEDJ-ZROIWOOFSA-N 386.385 3.808 0 40 GHAB Fc1ccc(-c2nnc(N3CCN(C[C@H]4CCCO4)CC3)c3ccccc23)cc1 33010803 BYJKSPXXQRSREJ-LJQANCHMSA-N 392.478 3.737 0 40 GHAB O=S(=O)(NCc1cccnc1Oc1cccc(F)c1)c1ccc(F)c(F)c1 32437736 XDWTUNCPZLDGHH-UHFFFAOYSA-N 394.374 3.770 0 40 GHAB COc1ccc(OC)c([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 72221903 OZSGTXYFLMMORI-LJQANCHMSA-N 375.490 3.928 0 40 GHAB COc1ccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)c2cccnc12 225455744 XFSVDOFJKNQWGD-UHFFFAOYSA-N 389.484 3.916 0 40 GHAB COC(=O)c1ccc(C)c(NC(=S)NCCCN2CCc3ccccc3C2)c1 225743062 QGJVTGWSBDQCRM-UHFFFAOYSA-N 397.544 3.516 0 40 GHAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 224033432 GMFBOTMLOYPDTN-VQTJNVASSA-N 392.484 3.809 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 222535512 LLZNCCUIESVCLM-OAQYLSRUSA-N 383.488 3.717 0 40 GHAB CC(C)Oc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 42645544 DVJFDTZPGHHGOA-UHFFFAOYSA-N 396.896 3.532 0 40 GHAB Cc1ccc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c(C)c1 225698407 MXWWLMDZXWTEJZ-HXUWFJFHSA-N 396.531 3.667 0 40 GHAB C[C@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1ccc(Cl)cc1Cl 40106072 FDTWTKLSDKIFQD-GFCCVEGCSA-N 386.300 3.613 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 223043767 RDSNDQMYFKOBCL-NRFANRHFSA-N 382.504 3.544 0 40 GHAB O=C(CSc1nc2ccccc2s1)N(CC(F)(F)F)C1CCOCC1 77157799 ROQDHZOEVUJYBY-UHFFFAOYSA-N 390.452 3.958 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 223667788 MBOJYIBVLGNXGV-IBGZPJMESA-N 382.504 3.707 0 40 GHAB CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1COc1cccc(C)c1 224388752 RSFMJPLGYSEUTD-UHFFFAOYSA-N 382.504 3.750 0 40 GHAB COc1ccc(/C=C2/N=C(c3ccc(OC(F)F)c(OC)c3)OC2=O)cc1C 98002338 XDAHPURHMXXTHM-NTEUORMPSA-N 389.354 3.958 0 40 GHAB Cc1ccsc1C(=O)N1C[C@H](C(=O)Nc2ccccc2)C2(CCOCC2)C1 96078694 AEDYMHILGNJDJI-QGZVFWFLSA-N 384.501 3.564 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C)CC2)on1 257317735 VKXXBBFFXCIHKQ-DZUCGIPZSA-N 397.523 3.552 0 40 GHAB O=C1CCCC[C@]2(CN(Cc3cccc(C(=O)O)c3)C[C@H]2c2ccc(F)cc2)N1 257266890 MEZZPCFHXKBQTD-NZQKXSOJSA-N 396.462 3.552 0 40 GHAB CN(C)c1nc([C@@H]2CCN(C(=O)c3nccc4ccccc34)C2)cn2cccc12 257295082 QWXPJFYAVJLTLK-QGZVFWFLSA-N 385.471 3.578 0 40 GHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)CCCc4cn[nH]c4)[C@H]3C[C@H]21 257313712 UTTAJMISHATHED-MXKPZRPRSA-N 395.503 3.651 0 40 GHAB O=C(/C=C/c1ccccc1)N1CCC(Oc2ncccc2Br)CC1 96096949 DUYDQYDWKLCVIW-CMDGGOBGSA-N 387.277 3.927 0 40 GHAB O=C1NC[C@@H](C(=O)N2CCCCc3cc(Br)ccc32)c2ccccc21 626347475 WXQYBVFBZZUZBB-QGZVFWFLSA-N 399.288 3.646 0 40 GHAB COc1cccc([C@H](C(=O)O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1 634691886 QHSUHCRELBYJNG-ZWKOTPCHSA-N 379.815 3.687 0 40 GHAB CC(=O)N1CCC[C@@H](C(=O)Nc2nc(C)c(Cc3ccccc3Cl)s2)C1 55586337 NPQQJZZNPGCPFB-OAHLLOKOSA-N 391.924 3.893 0 40 GHAB Cc1ncnc(OCC2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1C 1565523585 TXPPPHJXKAZVEH-UHFFFAOYSA-N 383.467 3.582 0 40 GHAB Oc1cc(C2CCN(Cc3ccc(F)cc3F)CC2)nc(-c2cccnc2)n1 72392768 URGHNCHFCKSOLE-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB O=C(NCc1ccccc1COc1ccccc1Cl)N1C[C@@H](O)C[C@H](F)C1 1616044211 VXBMCBMKQOZOOV-IRXDYDNUSA-N 392.858 3.533 0 40 GHAB COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)c1 5446551 LKBUHRKJAOLFEX-IBGZPJMESA-N 381.501 3.744 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc2c(n1)[nH]c1c(C)cc(C)cc12 5577838 LMLGFXFUKUESQO-UHFFFAOYSA-N 393.472 3.862 0 40 GHAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)n(C)n1 12088032 GEDYBPNBWQZEIX-INIZCTEOSA-N 377.492 3.694 0 40 GHAB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 15049394 ZNEOGKFGRFICHS-YBEGLDIGSA-N 386.404 3.509 0 40 GHAB O=C(c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1)N1CCCC1 19376078 POQNSJPWSYDTEO-GOSISDBHSA-N 390.487 3.838 0 40 GHAB CCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 19533271 AQZNOPHEFIWMCT-NRFANRHFSA-N 390.487 3.958 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1NC(=O)CCNc1ncnc2ccccc12 19665741 KDYWTYFHBARJAS-UHFFFAOYSA-N 390.422 3.610 0 40 GHAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)CC(C)(C)C)n1 19697344 BYBYKKQVQNEQCL-SFHVURJKSA-N 395.551 3.512 0 40 GHAB COc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1 19929322 LMIMPXCNICTJFO-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB COc1ccc2c(=O)n(CC3CCN(Cc4cc(F)ccc4F)CC3)cnc2c1 1889256247 KDWCNDZVMZUUGN-UHFFFAOYSA-N 399.441 3.596 0 40 GHAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cc(Cl)ccc2F)C[C@H](C)O1 26547346 JNFFTWLKOJKBOG-STQMWFEESA-N 390.842 3.981 0 40 GHAB C[C@H](C(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1)n1cccn1 2087044658 BXYSHUIPOVPJTG-OAHLLOKOSA-N 375.476 3.671 0 40 GHAB C[C@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@@H](COc4cncc(Cl)c4)O[C@@H]3C2)CC1 1565553913 HEGCJGQOBRJOIG-UNTXSKPGSA-N 378.900 3.556 0 40 GHAB O=C(CSc1ccc(-c2ccccc2)nn1)Nc1ccc2c(c1)OCCO2 4355349 AKIXZUMIYHFORT-UHFFFAOYSA-N 379.441 3.646 0 40 GHAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1ccccc1C 7428367 ISJRUEROPCLWRK-UHFFFAOYSA-N 379.434 3.936 0 40 GHAB Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCCC1 11897733 JODQDYZJPSJKKT-LJQANCHMSA-N 395.956 3.574 0 40 GHAB O=C(Cc1ccccc1Cl)NCC1CCN(C(=O)c2ccccc2F)CC1 44006426 CVBANIZZAFVOML-UHFFFAOYSA-N 388.870 3.690 0 40 GHAB COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(-c2cccs2)o1 575607856 DIGTZMFSNPWBFB-UHFFFAOYSA-N 390.848 3.925 0 40 GHAB Cc1cc(OC2CCN(C(=O)c3cc4ccccc4s3)CC2)cc(=O)n1C 575611092 TYYXUFLJRBCXFE-UHFFFAOYSA-N 382.485 3.592 0 40 GHAB Cn1ccc2cc([C@H](O)CNC(=O)c3ccc(OC(F)(F)F)cc3)ccc21 244914750 BBTMMFFDGAUUOX-QGZVFWFLSA-N 378.350 3.540 0 40 GHAB COc1ccc2nc(Cl)c(CNC3CCCC3)c(N3CCOCC3)c2c1 36734984 BTOBFPMYBFESNO-UHFFFAOYSA-N 375.900 3.766 0 40 GHAB COc1ccc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 7109565 YOSGQWFYEPDRIY-UHFFFAOYSA-N 375.475 3.934 0 40 GHAB O=C(c1ccc(Br)o1)N1CCC(Oc2ccc(Cl)cn2)CC1 96024923 JSJJTMBTBGXYIJ-UHFFFAOYSA-N 385.645 3.774 0 40 GHAB Cc1ccc([C@@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 101299776 TZLGMUVPUDBUIN-IBGZPJMESA-N 388.427 3.736 0 40 GHAB O=C(NCCCN1CCc2ccccc2C1)c1ccc(F)cc1Br 32399983 QNTYFEGSKFTFON-UHFFFAOYSA-N 391.284 3.766 0 40 GHAB O=C(NCCCN1CCc2ccccc2C1)c1cc(F)ccc1Br 32400142 NSZQVYGIKWSNTF-UHFFFAOYSA-N 391.284 3.766 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3nccnc3c2)cc1 32668395 MKVFBWKVJFGMDW-AWEZNQCLSA-N 391.427 3.797 0 40 GHAB CC(C)CCn1c(SCC(=O)N2CCC(C)CC2)nc2ccccc2c1=O 11828948 FSMXYHWKGASNEI-UHFFFAOYSA-N 387.549 3.793 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3cccnc3SC(F)F)cc2)CC1 11948796 DPCVNWNRFCQTNU-UHFFFAOYSA-N 392.475 3.791 0 40 GHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 102093720 GVNXWDVZBFGYFM-OGDHSWOFSA-N 389.451 3.973 0 40 GHAB COc1cc2cc(C)c(SCC(=O)NCc3ccccc3)nc2cc1OC 928252 SZPPFQWKEORANY-UHFFFAOYSA-N 382.485 3.969 0 40 GHAB CC(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1cc(C)cc(C)c1 976856 MKVUFDGGHIDUHQ-UHFFFAOYSA-N 380.473 3.953 0 40 GHAB CCOc1cc2c(cc1CNS(=O)(=O)c1ccc(Cl)s1)O[C@@H](C)C2 32740508 AJDZOKSYPPVSEZ-JTQLQIEISA-N 387.910 3.602 0 40 GHAB Cc1ccc(C)c(Cn2c(CCNC(=O)CCC[C@H](C)O)nc3ccccc32)c1 41146080 FSRVMNZCMQPFJH-IBGZPJMESA-N 393.531 3.911 0 40 GHAB Cc1ccc(NC(=S)N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc1 2682781 PBOZWUBUAJUONQ-GFCCVEGCSA-N 382.744 3.750 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3)c(C)c2)cc1 32853711 FEDVAQMPKYECFP-MRXNPFEDSA-N 380.492 3.993 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 32810716 AJLLJRIAFCQIEJ-SFTDATJTSA-N 379.456 3.921 0 40 GHAB C[C@H]1Cc2ccccc2N1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 102533519 SNUSUQCBGLUFNL-LPHOPBHVSA-N 378.472 3.573 0 40 GHAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1OC 102604020 DCEAFKNXEHAHEO-ZUOKHONESA-N 392.415 3.954 0 40 GHAB O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1Br 32911480 GTMRBOBZIOAKDA-INIZCTEOSA-N 391.284 3.983 0 40 GHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 32909580 PKGFIFWBZBZNQS-LEWJYISDSA-N 395.503 3.900 0 40 GHAB COc1ccc(Nc2c(Cc3ccccc3)c(C)nc3ncnn23)cc1OC 4898010 HSHQHMZRXWZWKW-UHFFFAOYSA-N 375.432 3.784 0 40 GHAB COc1ccc(CCNC(=S)Nc2cccc(Br)c2)cc1OC 6625053 MWTLWHGHRDJSSJ-UHFFFAOYSA-N 395.322 3.995 0 40 GHAB COc1ccccc1-n1cnnc1S[C@@H](C(=O)N1CCCC1)c1ccccc1 6979871 CEJUOIWAZCLPBJ-LJQANCHMSA-N 394.500 3.732 0 40 GHAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccccc2Oc2ccccc2)C1 7436950 MZUQIJMPDIQDMN-QGZVFWFLSA-N 382.460 3.693 0 40 GHAB CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 7881122 NRYZCJHGZHFYHX-UHFFFAOYSA-N 390.530 3.754 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C(=O)[C@@H]2C)cc1 7921442 XJHVWYJJLHUOAT-AWEZNQCLSA-N 385.851 3.753 0 40 GHAB COc1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 7929482 FCEHUMHSBRMKFN-NSHDSACASA-N 380.227 3.961 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)OCCCn1c(=O)[nH]c2ccccc21 7990462 ZTQZURNDFUZURI-UHFFFAOYSA-N 377.444 3.767 0 40 GHAB Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)N2CCN(C)CC2)cc1 33408289 DTNYIIIWNKUIFW-UHFFFAOYSA-N 388.515 3.554 0 40 GHAB O=C(c1ccccc1OCc1ccc(F)cc1)N1CCN(c2nccs2)CC1 10269897 SHRMBYBSDMFQPF-UHFFFAOYSA-N 397.475 3.824 0 40 GHAB C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)COC3=O 33505431 HKNSYAPUOMHZDE-RCJATNNHSA-N 386.488 3.970 0 40 GHAB biogenic CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)CC1 670998 JLOMGOYGVJTOBL-UHFFFAOYSA-N 386.517 3.679 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 8414879 VUQCWVLABJHGCQ-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)NCC1(c2ccccc2)CC1 22574769 NRBGBKPFBMSWQY-UHFFFAOYSA-N 390.483 3.882 0 40 GHAB O=C(CCN1CCN(Cc2ccco2)CC1)Nc1c(Cl)cccc1Cl 22931068 SMPBQGIQMKBBEH-UHFFFAOYSA-N 382.291 3.733 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 24257646 QEPJDRMOYMTMHM-UHFFFAOYSA-N 393.770 3.946 0 40 GHAB CCOc1ccc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(OC)cc2)cc1 937698 RPGPMAALTLZZJI-AWEZNQCLSA-N 388.489 3.793 0 40 GHAB COc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3)n2C)c1 9594412 QXVCIZJGOVFEJI-LBPRGKRZSA-N 386.452 3.749 0 40 GHAB C[C@@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1ccccc1N1CCCCC1)C2=O 23653863 DCSMMPSNQWRKAJ-JPYJTQIMSA-N 398.551 3.567 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c1 3131392 GQTDSLCAPMPKSA-UHFFFAOYSA-N 393.892 3.835 0 40 GHAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2cc3sc(N(C)C)nc3s2)CCC[C@H]1C 106755184 BGAATJCVERMHRA-WOPDTQHZSA-N 395.550 3.522 0 40 GHAB Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1NS(C)(=O)=O 29218366 MQVONFYYNZBERV-UHFFFAOYSA-N 380.469 3.871 0 40 GHAB NC(=O)N[C@H](CC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(Cl)cc1 12615810 ZERIHZVGNOOCQB-LJQANCHMSA-N 383.879 3.755 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(-n3cccc3C(=O)O)c(C)c2)s1 58377744 NGGWTQIIQCLCMO-UHFFFAOYSA-N 376.459 3.655 0 40 GHAB COc1cc(-c2noc(CCCC(=O)Nc3ccccc3)n2)cc(OC)c1OC 2213494 GZZCRFOSQFGIRV-UHFFFAOYSA-N 397.431 3.724 0 40 GHAB COC(=O)[C@H]1CC(=O)[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118927144 LBPKNGBNCCAHKH-LJMJLVPLSA-N 390.520 3.929 0 40 GHAB O=C(NCCO)c1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1 2291794 YZRVCLJEZFWBJS-UHFFFAOYSA-N 384.439 3.763 0 40 GHAB Cc1ccc(Cn2ncc3c(C(=O)n4cccc/c4=N\C(C)C)cc(C)nc32)cc1 10799328 OEHONTGFZIZDEF-XTCLZLMSSA-N 399.498 3.896 0 40 GHAB COc1cccc(N2C[C@H](C(=O)Nc3cc(Cl)cc4cccnc34)CC2=O)c1 12765381 LQKZULWZYZSUGJ-CQSZACIVSA-N 395.846 3.888 0 40 GHAB CN1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)CC1 48339183 KIUSSYWCMJVJPJ-UHFFFAOYSA-N 386.927 3.619 0 40 GHAB CCN(CC)[C@H](CNC(=O)NCCc1ccc(OC)cc1)c1cccc(OC)c1 29319240 DJLNBJLOBLFFGG-JOCHJYFZSA-N 399.535 3.629 0 40 GHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccccc1C 12870872 GWTBRHVZUWEBJE-UHFFFAOYSA-N 399.878 3.703 0 40 GHAB COc1cc(CNC(=O)Cc2c(C)noc2C)ccc1OCc1ccccc1 8752230 BMXWFQOCZYQYAO-UHFFFAOYSA-N 380.444 3.738 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1ccnc(N2CCCC2)c1 12925045 FCMWFHSYFHFLPX-UHFFFAOYSA-N 391.515 3.840 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 8735591 GHMHLMMHHFSMRN-UHFFFAOYSA-N 378.407 3.711 0 40 GHAB NC(=O)c1cc(Cl)ccc1OCc1cc2c(cc1Br)OCCO2 8734656 PJIGNOSDYDPXRN-UHFFFAOYSA-N 398.640 3.552 0 40 GHAB CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccccc2-c2ccccc2)C1 13010509 IAEHSBOBCSPEPJ-LJQANCHMSA-N 380.488 3.957 0 40 GHAB CNc1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc(Cl)n1 83884219 JQCKRHGAIMLJSZ-UHFFFAOYSA-N 388.836 3.881 0 40 GHAB Cn1c(=O)n(CCC(=O)Nc2ccc3c(c2)-c2ccccc2C3)c2ccccc21 27759791 BNEVDBGXIGYDSL-UHFFFAOYSA-N 383.451 3.940 0 40 GHAB CCN(CC)C(=O)C(=O)c1cccn1-c1c(C(=O)OC)sc2ccccc12 4085497 RRTPEWAVGARUOE-UHFFFAOYSA-N 384.457 3.530 0 40 GHAB CCOc1ccccc1NC(=O)CCc1nc(-c2ccc(OC)c(OC)c2)no1 4384104 AAUUBWRPUVNZNT-UHFFFAOYSA-N 397.431 3.724 0 40 GHAB CC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 6238392 LAXMNYKGXAPLBP-UHFFFAOYSA-N 393.468 3.690 0 40 GHAB O=C(Nc1cccnc1Cl)c1ccc(C(=O)Nc2cccnc2Cl)nc1 6330528 VMMDEJKGKZPIBZ-UHFFFAOYSA-N 388.214 3.683 0 40 GHAB O=C(C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccccc1 4555370 IPEBFXWUCPWVQN-HSZRJFAPSA-N 375.399 3.833 0 40 GHAB Cc1nc(SCC(=O)Nc2sccc2C(N)=O)c2c(C)c(C)sc2n1 5428833 IQERQXLRXHMZJC-UHFFFAOYSA-N 392.531 3.508 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)s3)CC2)cc1 6581541 RWRZZRRCUBLODW-UHFFFAOYSA-N 393.306 3.676 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1 6560860 VWIPCEQDRBFRMO-KPKJPENVSA-N 394.443 3.647 0 40 GHAB CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c(C(=O)OCC)c1C 4628340 ZHMMLVNRGGBWAS-YNEHKIRRSA-N 379.478 3.785 0 40 GHAB Cn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 4681002 WXHWDJMVZYRNQI-UHFFFAOYSA-N 386.908 3.985 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2C(F)(F)F)C[C@H]1C(=O)O 14632459 WEQGRNHFFNXVEK-JQWIXIFHSA-N 375.343 3.547 0 40 GHAB CCc1ccccc1N1C[C@H](c2nnc(NC(=O)c3cccs3)s2)CC1=O 9199401 YYOMBKSNINTKEQ-CYBMUJFWSA-N 398.513 3.935 0 40 GHAB COc1ccc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)cc1OC 15589108 XFTBMZILUVKOLE-AWEZNQCLSA-N 388.489 3.711 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(Br)cc1F 15612326 GFYPKMAMKRFGEP-UHFFFAOYSA-N 386.242 3.552 0 40 GHAB CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1cccc(Br)c1 72067198 BVNJDRUMNSNBSA-LBPRGKRZSA-N 387.299 3.698 0 40 GHAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc2c(c1)OCO2 7909641 UPSLYZFXXGENEL-HNNXBMFYSA-N 381.457 3.801 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H]1CCCc2ccccc21 20483157 SPEMMCMFXVXXRD-NRFANRHFSA-N 398.528 3.587 0 40 GHAB COc1cccc(CNC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)c1 7961296 POEQUYIBZCIDEW-UHFFFAOYSA-N 384.457 3.766 0 40 GHAB COc1ccc(OC)c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 17005789 KMUUFQNQNFMDBX-LLVKDONJSA-N 397.349 3.907 0 40 GHAB COc1ccccc1Nc1ncccc1C(=O)Nc1nc2c(s1)CN(C)CC2 23609004 KXEOUKUTKWJWRW-UHFFFAOYSA-N 395.488 3.531 0 40 GHAB CCCOc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 8561029 IQYUFLXSWLTVNJ-MRXNPFEDSA-N 382.460 3.637 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2Cl)c(F)cc1F 72277398 ZNGMNVPKFYERPW-UHFFFAOYSA-N 375.780 3.514 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3nc(C)cs3)CCCC2)c1 24765499 QTOCMXYFTWTXAG-UHFFFAOYSA-N 378.519 3.794 0 40 GHAB COc1ccc(C(=O)N2CCN(CCSc3ccc(C)c(C)c3)CC2)cc1 95350399 LPCXRSQQCBFCFY-UHFFFAOYSA-N 384.545 3.862 0 40 GHAB CC(=O)NCC1CCN(C(=O)Nc2cccc(C3SCCS3)c2)CC1 84753054 WBVQINMONVWKTI-UHFFFAOYSA-N 379.551 3.545 0 40 GHAB COc1c(C)cnc(CN(c2nccs2)S(=O)(=O)c2ccccc2)c1C 79306597 VSELUKKVUHWXGH-UHFFFAOYSA-N 389.502 3.559 0 40 GHAB COc1ccc(C(=O)NCCNC(=O)C2CCCCC2)cc1-c1ccccc1 89466093 YXLWPKOHRVKHDQ-UHFFFAOYSA-N 380.488 3.789 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)CCc2csc3nc(C)cn23)cc1 89969002 MWQUQESBAHTOTK-UHFFFAOYSA-N 384.549 3.795 0 40 GHAB Cc1cccc(CN2CCC3(CC2)c2ccccc2N(CC(C)C)S3(=O)=O)n1 306123563 AQHTVFQBFRWRTD-UHFFFAOYSA-N 399.560 3.687 0 40 GHAB COc1ccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccc(OC)cc2)cc1 408840243 CUIUEPRTRZJILK-RCCKNPSSSA-N 385.423 3.933 0 40 GHAB CCOC(=O)COc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1OC 409100885 VTXGLQGJKRYGGK-WQRHYEAKSA-N 385.441 3.722 0 40 GHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1 408592023 NGHSPDKUYNLHPL-UHFFFAOYSA-N 389.477 3.514 0 40 GHAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1cc(Cl)ccc1F 1561738488 QFJRPPZENJRHNY-KRWDZBQOSA-N 379.840 3.644 0 40 GHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)COc3ccccc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409085629 DZOWTCIRSRTAIJ-ZXYWRSMDSA-N 398.425 3.977 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)c2ccncc2)n1 72376955 YSEUTIWIUFGZJE-SFHVURJKSA-N 377.423 3.627 0 40 GHAB CCOc1ccccc1OCc1nn2c(CN3CCCCCC3)nnc2s1 71260606 LLKKUTHNMUEPLV-UHFFFAOYSA-N 387.509 3.540 0 40 GHAB COC(=O)c1ccc(NC(=O)N2CCSC[C@H]2c2ccc(OC)cc2)cc1 32105853 BKKGADICIDEFBT-SFHVURJKSA-N 386.473 3.804 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCN1CCCc2ccccc21 219365293 XKWNUHHEFDDVOU-QFIPXVFZSA-N 382.504 3.812 0 40 GHAB CC[C@H](C)NC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Br 227159139 SIUXILHQIRPAPR-LBPRGKRZSA-N 380.286 3.707 0 40 GHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NCCCOC 222960226 ZIRODLWIINKVHL-FQEVSTJZSA-N 398.503 3.866 0 40 GHAB COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)o2)cc1 222767080 NKWVEWZXEAUVLH-OALUTQOASA-N 393.468 3.731 0 40 GHAB CCOC[C@H]1CN(C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)CCO1 527636082 VVHDOOBDPSAYEA-GHMZBOCLSA-N 379.259 3.640 0 40 GHAB S=C(NCc1ccco1)Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1 225914013 AALDLLLTJLXNFF-UHFFFAOYSA-N 385.880 3.730 0 40 GHAB c1ccc(COc2ccc(CN3CC(c4nc(-c5ncccn5)no4)C3)cc2)cc1 49483201 DHSACMXHFJECJT-UHFFFAOYSA-N 399.454 3.705 0 40 GHAB CCc1ccc(NS(=O)(=O)c2cc3oc(=O)n(CC)c3cc2Cl)cc1 223362164 FZXFUMWPAHUBEM-UHFFFAOYSA-N 380.853 3.631 0 40 GHAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc(Br)s1 40072311 ITTPKPLKBJULDP-GFCCVEGCSA-N 395.278 3.880 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1 225199380 GVTHGFJEJQIGRP-INIZCTEOSA-N 388.458 3.841 0 40 GHAB C[C@H]1CCCN(Cc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)C1 40107901 NXQVTXDZHCPVEX-INIZCTEOSA-N 386.517 3.574 0 40 GHAB FC(F)(F)c1cc(-c2nsc(N3CCNCC3)n2)cc(C(F)(F)F)c1 199557966 KUMFEOXPGIDJIH-UHFFFAOYSA-N 382.333 3.652 0 40 GHAB CCc1ccc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(N)=O)C2)cc1 257270562 MUSMRZPNDOYNSE-QHCPKHFHSA-N 398.478 3.565 0 40 GHAB COc1cccc(NC(=O)N2CC[C@@H](Oc3cccc4cccnc34)C2)c1OC 253471839 FYYDRXCOHPOQFH-MRXNPFEDSA-N 393.443 3.937 0 40 GHAB COC(=O)c1sc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1S(N)(=O)=O 604941637 LNJFLCHRWQNYCX-UHFFFAOYSA-N 399.799 3.521 0 40 GHAB Cc1ccc(NC(=O)C2(CNC3CCN([C@H]4CCOC4)CC3)CCCC2)cc1C 655720977 KLKAEJNMYQNRLN-QFIPXVFZSA-N 399.579 3.645 0 40 GHAB Cc1ccc2cccc(C(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)c2n1 96372199 QQYVTRLBMABVGA-UHFFFAOYSA-N 394.496 3.622 0 40 GHAB O=C(N[C@H]1CCCOc2ccc(F)cc21)[C@H]1CCCN1C(=O)C1CCCCC1 53369552 UDIHWFVOBPDDOA-RBUKOAKNSA-N 388.483 3.727 0 40 GHAB O[C@@H](c1ccccn1)c1cccc(F)c1N1CCN(Cc2ccccc2F)CC1 72340704 QKGBRDPYAADQCJ-HSZRJFAPSA-N 395.453 3.764 0 40 GHAB CC(=O)Nc1cc2ccccc2cc1C(=O)NC[C@H](Cc1ccccc1)N(C)C 16046741 ZLKKSRZVPMRZMM-NRFANRHFSA-N 389.499 3.701 0 40 GHAB O=C(COC[C@@H]1COc2ccccc2O1)N(Cc1cccnc1)C1CCCCC1 19375723 FTUMNOPBZNIKPB-HXUWFJFHSA-N 396.487 3.600 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)c1ccccc1F 19570983 BBAHTMMCRNKXAB-LJQANCHMSA-N 379.435 3.887 0 40 GHAB Cc1cc(C)n(Cc2c(C(=O)NCCCc3ccccc3Cl)noc2C)n1 19574339 LQYWJXQMLXEYKS-UHFFFAOYSA-N 386.883 3.861 0 40 GHAB COCc1cc(=O)[nH]c([C@H]2CCCN(Cc3cccc(Cl)c3Cl)C2)n1 19594316 ZDQYBUMKYKFUBX-ZDUSSCGKSA-N 382.291 3.603 0 40 GHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)CC4CCCC4)nn3cn2)cc1 12085164 MMLVTOFOHUFPBX-AWEZNQCLSA-N 379.464 3.557 0 40 GHAB COc1ccc(CN(C)C2CCC3(CC2)CNCc2ccccc2O3)cc1OC 19586414 LQCCCZSLXTVKGP-UHFFFAOYSA-N 396.531 3.999 0 40 GHAB Cc1ccccc1N1C[C@H](C(=O)Nc2ncc(-c3ccc(F)cc3)n2C)CC1=O 19661589 HHFYZWRQCPSPNV-MRXNPFEDSA-N 392.434 3.526 0 40 GHAB Cc1nc(-c2cccc(NC(=O)c3ccc4nnc(C5CC5)n4n3)c2)cs1 1889236529 IGMTYMMILKCRJT-UHFFFAOYSA-N 376.445 3.686 0 40 GHAB O=C1N(c2ccccc2)CCCC[C@@]12CN(Cc1ccc(F)cc1F)CCO2 2037983782 FWFFAHXIKKTWAQ-JOCHJYFZSA-N 386.442 3.753 0 40 GHAB COc1ccnc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)c1 2037988487 NIJMVQXUNHDVSI-JOCHJYFZSA-N 383.467 3.893 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)NC2CCCC2)ccc1F 3023542 ZSAVPNCDVFOTNN-UHFFFAOYSA-N 398.406 3.577 0 40 GHAB COCC(=O)N1CCCc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc21 22503003 JEMMWAHIZTYJRK-UHFFFAOYSA-N 387.867 3.587 0 40 GHAB O=C(Cc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1 22997277 XPRLNAUAEGQDBX-UHFFFAOYSA-N 395.528 3.594 0 40 GHAB Fc1ccc(-c2ccc(N3CCN(Cc4csc(C5CC5)n4)CC3)nn2)cc1 1775974119 BSJWAPJVKVALKT-UHFFFAOYSA-N 395.507 3.939 0 40 GHAB Cc1ccc(NC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc1 49003148 PYNUXIWDEZFCLL-UHFFFAOYSA-N 395.890 3.795 0 40 GHAB O=C1C[C@@H](C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CN1C1CCCC1 40033827 OULUEDSYIGOYTA-CYBMUJFWSA-N 378.875 3.761 0 40 GHAB O=C(NCCC1CCCCC1)c1occc1CS(=O)(=O)c1ccccc1 40074536 NKZSSKTXCKJNGP-UHFFFAOYSA-N 375.490 3.954 0 40 GHAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(SC3CCCC3)cc2)c1 30182798 PYNQURGVNNPDCI-UHFFFAOYSA-N 390.530 3.882 0 40 GHAB O=C(Oc1ccc2c(c1)OCO2)c1cccc(CS(=O)(=O)c2ccccc2)c1 40140142 IUQVUNFLKVPOOS-UHFFFAOYSA-N 396.420 3.608 0 40 GHAB C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 40145187 ATGBKXUBXNGPKU-ZDUSSCGKSA-N 386.521 3.530 0 40 GHAB CSc1ccc(C(=O)COC(=O)c2sc(-c3ncccn3)nc2C)cc1 40150441 XJFVSJBYUNJIBU-UHFFFAOYSA-N 385.470 3.670 0 40 GHAB CCOc1cc(C(=O)Nc2nnc(CC)s2)ccc1OCc1cccnc1 31891693 NRRNFCJICGNIHS-UHFFFAOYSA-N 384.461 3.726 0 40 GHAB O=C(CCCNC(=O)c1ccco1)Nc1ccc2c(c1)nc1n2CCCCC1 20669845 DXDZQYVXZAETMY-UHFFFAOYSA-N 380.448 3.504 0 40 GHAB O=C(NCc1nc2ccccc2s1)[C@@H]1CCCN(C(=O)c2cccs2)C1 32755003 YEXCZFPASYKMCZ-CYBMUJFWSA-N 385.514 3.526 0 40 GHAB CC(C)CCNC(=O)CCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 41105539 OCYSJPSJUYKLCU-UHFFFAOYSA-N 389.471 3.615 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)nc2n1 32882766 WOTMIPASVNKNMS-UHFFFAOYSA-N 384.399 3.802 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(CN4CCCCC4)nc3c2)cc1 4937128 UVAMTJLXRMVTBI-UHFFFAOYSA-N 392.459 3.588 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCOc2cccc(Br)c2)cc1 6886762 JJQLFVMYMUFNJK-UHFFFAOYSA-N 377.238 3.815 0 40 GHAB COc1cccc(N2CCN(C(=O)c3cc4ccccc4cc3OC)CC2)c1 6976372 FPXGPGGYOGVSSN-UHFFFAOYSA-N 376.456 3.819 0 40 GHAB COc1cccc(CN(C)C(=O)Cc2ccc(Br)cc2)c1OC 21914282 BQCRIEMSDWPOOY-UHFFFAOYSA-N 378.266 3.667 0 40 GHAB COCCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cc(C)ccc2C)n1 8476722 AVVUGVPJCCRGSZ-UHFFFAOYSA-N 398.894 3.971 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1F)c1ccc(Cl)cc1 8810111 RGRHNQDWJVUKFE-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=O)C1CCN(Cc2cccc(C)c2)CC1 9062580 RHEAIAHUEYIUTP-HSZRJFAPSA-N 385.596 3.978 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104201263 OQOJCBLAOBSUOK-IKICRFKJSA-N 382.460 3.748 0 40 GHAB CCN(CC)CCNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 12456904 XGTKTGALGHULKW-UHFFFAOYSA-N 388.512 3.665 0 40 GHAB C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)N1CCOCC1 12424625 VGRRLWVBTGHKJJ-ZDUSSCGKSA-N 385.514 3.698 0 40 GHAB Cc1noc2nc(-c3cccs3)cc(C(=O)NC3C[C@H]4CC[C@H](C3)N4C)c12 102152915 QZTYVVZFPSTEMW-ZIAGYGMSSA-N 382.489 3.615 0 40 GHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(Cl)c1O 12556284 XYFWAKQHGMSDFA-BFUOFWGJSA-N 388.851 3.800 0 40 GHAB Cc1cc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c(C)n1Cc1ccco1 12525427 USBCEWDAIXCPJQ-UHFFFAOYSA-N 388.471 3.921 0 40 GHAB CCc1ccc(NC(=O)N2CC[C@]3(CC[C@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)cc1 107271745 HREKXMKSSUAJEH-LERMDLETSA-N 399.535 3.567 0 40 GHAB C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1cccs1 17842081 HWMSXOKKULNXLL-AWEZNQCLSA-N 375.453 3.938 0 40 GHAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCN(C(=O)c2cccs2)CC1 44017847 NRSMUTWUFIDOST-UHFFFAOYSA-N 399.394 3.637 0 40 GHAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 20489950 LUHNJKCOPGQOMP-SFHVURJKSA-N 393.505 3.778 0 40 GHAB Cc1ccccc1OCCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 3260924 BUGSSTKTDCHZOL-UHFFFAOYSA-N 383.231 3.648 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 54001723 RDOMWRLMRBDXOX-OAHLLOKOSA-N 396.491 3.570 0 40 GHAB CN(c1ccccc1Oc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 58145824 NOCLHSWTRMPTPZ-UHFFFAOYSA-N 396.424 3.739 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21 64946807 ONFZLRKIMCTDGH-UHFFFAOYSA-N 382.894 3.927 0 40 GHAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 20492637 ZZKUYNIYZDQNNF-LJQANCHMSA-N 386.517 3.661 0 40 GHAB Cc1noc(N)c1C(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccccc21 44926736 XHQKCJVRVWOAEF-GFCCVEGCSA-N 395.440 3.940 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(SCCOc3ccc(C)cc3)nnc12 3375308 BWSXKYOJDQVWFV-UHFFFAOYSA-N 394.500 3.934 0 40 GHAB CCS(=O)(=O)c1ccc(NCc2cc3c(cc2Br)OCO3)cc1 11039883 PIYIGTNLNLMGJW-UHFFFAOYSA-N 398.278 3.584 0 40 GHAB COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CC[C@H](C)C3 12787442 NSMGDTOKUHEGKF-NSHDSACASA-N 392.546 3.963 0 40 GHAB O=C(c1cccs1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 12733006 NAVYRGDMQNLYMM-UHFFFAOYSA-N 375.803 3.778 0 40 GHAB CCc1ccc(C(=O)CCC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1 29029515 VHSUSMMWCHKVNL-UHFFFAOYSA-N 390.487 3.661 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)CCc2ncc(-c3ccccc3F)o2)c1C 12747877 PGROPAOCKKUKCO-UHFFFAOYSA-N 395.434 3.785 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1S(=O)(=O)N1CCCCC1 12822029 VMUMJXJZTAFANU-UHFFFAOYSA-N 396.871 3.906 0 40 GHAB O=C(OCc1nc2ccccc2c(=O)[nH]1)c1ccccc1COc1ccccc1 13000833 YSJWWBADAAIMDA-UHFFFAOYSA-N 386.407 3.859 0 40 GHAB O=C(c1ccccc1Br)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 4163592 GJIJAWMNSQXSRY-IINYFYTJSA-N 391.187 3.702 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccccc1 6140455 QIXZCOZKYPMJSY-UHFFFAOYSA-N 378.379 3.630 0 40 GHAB O=C(Cc1ccc2ccccc2c1)NCc1nnc2ccc(C(F)(F)F)cn12 14254709 CLCVVFQJYPSVET-UHFFFAOYSA-N 384.361 3.760 0 40 GHAB CCN1C(=O)/C(=C\c2ccc(C)cc2)N=C1SCC(=O)NCC1CCCCC1 4671017 SUVWTNVTHZFZMX-CPNJWEJPSA-N 399.560 3.984 0 40 GHAB COc1ccc(Cc2nnc(S)n2-c2ccc(Cl)c(C(=O)O)c2)cc1 6659227 LCESFVKXLLCBRT-UHFFFAOYSA-N 375.837 3.507 0 40 GHAB CC(C)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccco1 4736095 YWWPDLUODXKPLW-UHFFFAOYSA-N 386.433 3.579 0 40 GHAB Cc1nn(Cc2ccccc2)c2sc(C(=O)NCCc3ccccn3)cc12 9157719 IYPKCOGZHGFXEX-UHFFFAOYSA-N 376.485 3.822 0 40 GHAB COc1ccc(OC)c(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1 6852387 SLVSAYLOEGRYAW-UHFFFAOYSA-N 382.441 3.784 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1 7477715 JQZXRBYBQIGUIN-OAHLLOKOSA-N 381.407 3.812 0 40 GHAB CCCCCOc1ccc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1 7417175 BOWYWVYXAIKHDZ-UHFFFAOYSA-N 380.444 3.929 0 40 GHAB Cc1ccc(NC(=O)Cc2nc(COC(=O)c3c(C)noc3C)cs2)cc1 7652549 AEBIXXSUBUNWNL-UHFFFAOYSA-N 385.445 3.595 0 40 GHAB Cc1cccc(N(Cc2ccccc2)C(=O)COc2ccc(-n3cnnn3)cc2)c1 9460264 QAJGKXVKUVLLMK-UHFFFAOYSA-N 399.454 3.583 0 40 GHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(-n2cncn2)cc1 9452649 IYASYPDTKDERCF-UHFFFAOYSA-N 399.458 3.505 0 40 GHAB CC(C)C(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 9579220 NGKMBRNAPFFBOS-FQEVSTJZSA-N 399.922 3.939 0 40 GHAB Cc1cccc(OCCNC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c1 9869263 XCIAWQIBKFRPMM-UHFFFAOYSA-N 383.492 3.579 0 40 GHAB COc1ccc(Br)cc1CNc1ccccc1C(=O)NC1CC1 96980654 BDGVMIYPBOOVIY-UHFFFAOYSA-N 375.266 3.962 0 40 GHAB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NC[C@H]1CCCS1 79093344 HLSSEXLAZKLIEB-GOSISDBHSA-N 389.904 3.962 0 40 GHAB O=C(C[C@H]1OCCc2ccsc21)NCCc1coc(-c2ccc(F)cc2)n1 89793841 QPJXTOCZKBHPHS-QGZVFWFLSA-N 386.448 3.905 0 40 GHAB COc1ccc(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)c(OC)c1 27933329 STZPCXWFVAIVPK-UHFFFAOYSA-N 397.397 3.617 0 40 GHAB COc1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1 408953867 QIDWXGBFISGDGB-MOSHPQCFSA-N 391.402 3.718 0 40 GHAB Cc1ncsc1CN1CC[C@@]2(C1)CN(C(=O)c1ccsc1)c1cccnc12 306143683 YIXWWTMAWZEQFT-HXUWFJFHSA-N 396.541 3.712 0 40 GHAB CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(Cl)c2sccc23)cc1 67341140 DZHJPZYQCSVCLI-UHFFFAOYSA-N 392.893 3.949 0 40 GHAB Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCCN(c4ccccc4)C3=O)cc2)c1C 557268402 NXYFZNYLQMMXPM-NRFANRHFSA-N 388.471 3.871 0 40 GHAB COc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(OC)cc3)c[nH]2)cc1 67898789 RTBMNCWSNOFAQS-NRFANRHFSA-N 379.460 3.667 0 40 GHAB biogenic,in-vitro COCCNC(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 35590163 SSJRVDDEOVFONO-UHFFFAOYSA-N 392.428 3.617 0 40 GHAB Cc1cc(C)cc(CN2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)c1 306144610 ZKEQQOCAMWTXHK-UHFFFAOYSA-N 398.514 3.730 0 40 GHAB Cc1cc2nc3c(c(O)n2n1)C[C@@H]1CC[C@H](C3)N1Cc1ccc(OC(C)C)cc1 72373128 XACLLCBHLYTWQT-ZWKOTPCHSA-N 392.503 3.662 0 40 GHAB COc1cc(CN(CCCn2ccnc2)C[C@@H]2CC=CCC2)cc2c1OCO2 36740231 REUCGMCBZPRPFB-GOSISDBHSA-N 383.492 3.869 0 40 GHAB CN1CCCC[C@H](C2CCN(C(=O)c3cc(-c4ccc(F)cc4)no3)CC2)C1=O 72371989 BMXAELGOKMLHBO-GOSISDBHSA-N 399.466 3.591 0 40 GHAB O=C(c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)N1CCCCCC1 33131331 GEEFHJGRQIKSKT-UHFFFAOYSA-N 398.956 3.921 0 40 GHAB CCOc1ccccc1NC(=O)COc1ccc(Br)cc1C(=O)O 217719109 RSPIEQVXOKAHIL-UHFFFAOYSA-N 394.221 3.564 0 40 GHAB COc1cccc(CC(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)c1 72335468 LBWQYFRWLVZAHH-UHFFFAOYSA-N 394.496 3.969 0 40 GHAB O=C(NCCc1ccc(F)cc1)Nc1cc2c(cc1Br)OCCO2 43455946 HPCHPUZQWNZORQ-UHFFFAOYSA-N 395.228 3.724 0 40 GHAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 222912240 VGZLIOLXGZFGFN-SFTDATJTSA-N 391.544 3.955 0 40 GHAB CCc1nc(CNC(=O)c2cn(-c3cccc(C(F)(F)F)c3)cn2)cs1 226751209 HCAGIUKBZSJPEA-UHFFFAOYSA-N 380.395 3.840 0 40 GHAB COc1cccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 222789608 DVUBOKUUGNPYCW-UHFFFAOYSA-N 382.460 3.729 0 40 GHAB Cc1nnsc1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 42380192 QFJYQJRPQHMOGL-LLVKDONJSA-N 389.481 3.524 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 224257111 JDOGHVKAROTXIK-OAQYLSRUSA-N 396.531 3.934 0 40 GHAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(C)(C)C)cc1 225420023 VNHCFSSAGFJASO-OAHLLOKOSA-N 388.533 3.725 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1F 225457647 ZRSVDGXCSLGFGO-ROUUACIJSA-N 384.495 3.743 0 40 GHAB O=C(NCCSCc1c(F)cccc1Cl)c1ccc2c(c1)OCCO2 225399507 QTTXUPQMWMBHCL-UHFFFAOYSA-N 381.856 3.914 0 40 GHAB CC[C@@H](C(=O)NCC1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224308590 RTELXCXATNJYAO-KRWDZBQOSA-N 386.945 3.581 0 40 GHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 223002191 SEYDNEJSFNOUIB-LJQANCHMSA-N 395.459 3.836 0 40 GHAB CC(C)n1c([C@@H]2CCCN(C(=O)CCc3ccn(C)n3)C2)nc2ccccc21 585085901 MTXQAKHBHQKXJJ-QGZVFWFLSA-N 379.508 3.690 0 40 GHAB CCOc1cc(Cc2noc(Cc3cccc(OC)n3)n2)ccc1OC(F)F 585084102 IJANUETVNRZIQI-UHFFFAOYSA-N 391.374 3.655 0 40 GHAB COCCn1ccc2ccc(C(=O)N[C@@H](C)c3nc4ccccc4n3C)cc21 96231585 JIYWOLOICKEAMZ-HNNXBMFYSA-N 376.460 3.665 0 40 GHAB CCOc1ccc(-c2cc(C(=O)N3CCC[C@]4(C)NCCCC[C@H]34)[nH]n2)cc1 257228903 FVUHFSIHIHNFDR-UNMCSNQZSA-N 382.508 3.612 0 40 GHAB COc1cc(C)c(CN2CC[C@@H](c3n[nH]cc3-c3ccnc(N)c3)C2)c(C)c1C 257239566 HPWWFUUTAKZULJ-GOSISDBHSA-N 391.519 3.977 0 40 GHAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2nc(C)ncc2-c2onc(C)c2C)CC1 257209186 BPHYEZMIMIXGIY-LNLFQRSKSA-N 398.507 3.926 0 40 GHAB COc1ccc(-n2ncc3c(N)c4c(nc32)C[C@H](c2ccccc2)CC4=O)cc1 618257571 ZUWWWVOGFBDVII-HNNXBMFYSA-N 384.439 3.924 0 40 GHAB O=C(NCc1ncnn1-c1ccccc1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 623953000 LGHMFDWVBCOURJ-MRXNPFEDSA-N 397.429 3.635 0 40 GHAB CN(C)[C@@H](CNC(=O)NCc1cccc2ccccc12)c1ccc2c(c1)CCO2 90607316 RZJYQEFFKLZMCU-QFIPXVFZSA-N 389.499 3.877 0 40 GHAB CN1CCC[C@@H](CNC(=O)Cc2cscn2)[C@H]1c1ccc(C(F)(F)F)cc1 668877649 STBKYAPYOCLMBM-KBXCAEBGSA-N 397.466 3.904 0 40 GHAB CCN(CC)Cc1ccc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)o1 679872337 BBHLSFODCNCZGP-AWEZNQCLSA-N 398.429 3.814 0 40 GHAB CO[C@@H]1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)nn3C)cc2)C1 96381521 REVNYQLPPBRUHL-LJQANCHMSA-N 376.460 3.565 0 40 GHAB Cc1noc(C)c1C(=O)OCC(=O)N(Cc1ccccc1)Cc1ccccc1 5198576 MIOFUMLGJQPBQF-UHFFFAOYSA-N 378.428 3.677 0 40 GHAB Cc1ccc(OCCSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 5634827 NFOYFBHDLLCMFO-UHFFFAOYSA-N 392.546 3.736 0 40 GHAB C[C@H]1CCc2noc(C3CCN(C(=O)c4cc(-c5ccco5)n[nH]4)CC3)c2C1 12119898 XSBNPLBSRRUMMM-ZDUSSCGKSA-N 380.448 3.802 0 40 GHAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccccc2N2CCCC2)c1 12539199 KKFGYZZTWVSUAV-UHFFFAOYSA-N 383.517 3.906 0 40 GHAB CC[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NCCc1c[nH]c2ccccc12 12901498 XSGSKQRCZQWZRT-GOSISDBHSA-N 388.471 3.517 0 40 GHAB biogenic COc1ccc(CCNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1OC 13709053 QCQIDJXNMNXBAH-INIZCTEOSA-N 379.456 3.983 0 40 GHAB Cc1cc(C)cc(N2C(=O)N(c3ccccc3Cl)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 16740632 XFBBHPYRZUISIN-ZWKOTPCHSA-N 390.892 3.569 0 40 GHAB CCn1cc(CN2C(=O)/C(=C/c3cccc(OCC(C)C)c3)N=C2S)cn1 17078551 TVLFBTRQUURWDV-NVMNQCDNSA-N 384.505 3.607 0 40 GHAB CCc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1 18082179 UGPZCHLUWXMAIK-UHFFFAOYSA-N 388.533 3.851 0 40 GHAB COCCn1c(C)cc2cc(NC(=O)[C@H](C)Oc3ccc4c(c3)OCO4)ccc21 19126251 YIUIARYBXHZRKM-HNNXBMFYSA-N 396.443 3.731 0 40 GHAB NC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)C2CC2)C1 19368347 RXOORKPIESDSQO-HSZRJFAPSA-N 380.463 3.539 0 40 GHAB C[C@@H](Cn1nc2c(cc1=O)CCCC2)NC(=O)[C@@H](c1ccccc1)C1CCCC1 19574178 UJJNRTKJTQTCNV-SBUREZEXSA-N 393.531 3.601 0 40 GHAB CC(C)(C)[C@H]1CCc2onc(C(=O)NCc3nc(Cc4ccccc4)no3)c2C1 19664289 CNXDRXFPLXZKSR-HNNXBMFYSA-N 394.475 3.729 0 40 GHAB O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8231988 UPRIVEPAGMFEFM-FVNWOWOISA-N 376.412 3.976 0 40 GHAB CCN1CCN(c2ccc(NCc3cc4ccc(C)cc4[nH]c3=O)cc2)CC1 12088341 YETQHIWKVYHIHD-UHFFFAOYSA-N 376.504 3.591 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)cc1Cl 11247984 ICNLHDGVIYUAFP-KRWDZBQOSA-N 382.851 3.899 0 40 GHAB COc1ccc2c(=O)n(CC3CCN([C@H](C)c4ccccc4)CC3)cnc2c1 1889252846 FMULSVAQCJVQGN-QGZVFWFLSA-N 377.488 3.878 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)NCc3coc(-c4cccs4)n3)CC2=O)cc1F 26359853 RIBHWGVKUXUKKO-ZDUSSCGKSA-N 399.447 3.520 0 40 GHAB COc1ccc([C@@H](NC(=O)c2csc(-c3ccco3)n2)c2nccn2C)cc1 29647990 OBYOMRWFUCFQEU-QGZVFWFLSA-N 394.456 3.665 0 40 GHAB COc1ccc([C@H]2CCCN2CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 20953457 SHTZDAIPGWEORA-HXUWFJFHSA-N 394.471 3.527 0 40 GHAB CC(C)Cn1c(SCC(=O)N(C)c2ccc(F)cc2)nc2ccccc2c1=O 51357469 CMXLFRROYHOROG-UHFFFAOYSA-N 399.491 3.947 0 40 GHAB CC(C)C(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 5099657 ZRXWCIPWKJBHBA-UHFFFAOYSA-N 376.453 3.562 0 40 GHAB COc1ccc(C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1 5166629 KCYDNVSARHDLBG-UHFFFAOYSA-N 396.447 3.578 0 40 GHAB O[C@H](COc1c(F)cc(Br)cc1F)CSc1ccccn1 11692548 XBFCMBVONQMUMY-SNVBAGLBSA-N 376.222 3.654 0 40 GHAB O=C(Nc1ccccc1F)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 13664721 NTOSNIAIZXTKTM-UHFFFAOYSA-N 395.413 3.776 0 40 GHAB CCOC(=O)N1CCN([C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)CC1 20192859 BNGMVERCLCNOFB-NRFANRHFSA-N 378.476 3.735 0 40 GHAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1ccccc1)N1CCN(C)CC1 22031472 LJIDKAQCRUFBLE-UZLBHIALSA-N 386.927 3.839 0 40 GHAB O=C(NC[C@H]1CCCN1c1ccccn1)c1cc(Br)ccc1Cl 225630352 OUGGARBFTRBXJU-CYBMUJFWSA-N 394.700 3.896 0 40 GHAB O=C(Nc1ccc(O)c(-c2nc3ncccc3o2)c1)c1ccc2c(c1)OCCO2 41091588 LCKJPIWETVKMGQ-UHFFFAOYSA-N 389.367 3.619 0 40 GHAB C[C@@]1(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CC1(Cl)Cl 22191198 QXWLIWNEHDLRSR-LBPRGKRZSA-N 379.169 3.809 0 40 GHAB CC(C)COc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1Cl 30201098 QDSWBSRUUUXIJZ-UHFFFAOYSA-N 385.851 3.874 0 40 GHAB C[C@@H](NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(Cl)cc1 40130238 UQFNYMLXNFLRHJ-OCCSQVGLSA-N 379.291 3.877 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 30835619 DPKBNMAGHPIXIJ-KRWDZBQOSA-N 378.428 3.856 0 40 GHAB COc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3c(Cl)cccc32)cc1 20735963 XBAMKPJCAOSKEW-FQEVSTJZSA-N 394.818 3.764 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1 21006531 UHQKJIMVGHIMDW-UHFFFAOYSA-N 383.448 3.859 0 40 GHAB COC(=O)CSc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 1245184 DTFSGDDWFMSFKS-UHFFFAOYSA-N 389.502 3.664 0 40 GHAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)OCC)cc2)c1 2053757 OLOPOXWMVRREKX-UHFFFAOYSA-N 386.473 3.779 0 40 GHAB C[C@@H](NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1 2108888 YOYVKUKPZQPAAZ-IJEWVQPXSA-N 387.936 3.557 0 40 GHAB biogenic Cc1cccc(-c2nc3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n3n2)c1 2399026 ZQIYIJQXISGVPR-NVNXTCNLSA-N 388.279 3.981 0 40 GHAB COc1cc(CCN2CCN(c3ccc(C)c(F)c3)CC2)cc(OC)c1OC 2572957 BZTQYPMXNNFFKT-UHFFFAOYSA-N 388.483 3.525 0 40 GHAB O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)NCC(F)(F)F 2637000 HLJFIHQHLDLCNM-UHFFFAOYSA-N 394.374 3.799 0 40 GHAB O=C(CCN1CCC(Cc2ccccc2)CC1)Nc1ccc2c(c1)OCCO2 2888924 XVLOUWQTQFFQAI-UHFFFAOYSA-N 380.488 3.741 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)c3ccc(Cl)s3)c2O1 3262700 VEQZPNVSCXKRIR-UHFFFAOYSA-N 380.849 3.920 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1nc2c(s1)CCCC2 3325876 XUFQZHPGELPOMD-INIZCTEOSA-N 375.469 3.554 0 40 GHAB CCc1ccccc1OCC(=O)Nc1cc2c(cc1Br)OCCO2 3554288 CBWPDFKQROWPGY-UHFFFAOYSA-N 392.249 3.800 0 40 GHAB CCOC(=O)c1sc2nc(NC(=O)COc3ccccc3)sc2c1C 4088295 YJUPFUTYTIDYFR-UHFFFAOYSA-N 376.459 3.860 0 40 GHAB Cc1cc(C)cc(-n2ccnc(SCC(=O)Nc3ccccc3C)c2=O)c1 4484247 KEXXPISLDGXUIL-UHFFFAOYSA-N 379.485 3.889 0 40 GHAB CCOc1ccc(C2=NN(C(=O)Cc3ccccc3)[C@@](O)(C(F)(F)F)C2)cc1 4550247 XQDWSEDRBXQCPF-IBGZPJMESA-N 392.377 3.515 0 40 GHAB O=C(O)c1cccc(CN2C(=O)S[C@H](Nc3ccc(Cl)cc3)C2=O)c1 4669009 ABIIFLRICPTVKS-AWEZNQCLSA-N 376.821 3.672 0 40 GHAB CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@@H](C)C3 4935297 ZUCMKEPTFJWDPE-GFCCVEGCSA-N 393.578 3.563 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(CC)cc2)cc1 5033765 BDDJZLNJHNJRRQ-CQSZACIVSA-N 397.504 3.743 0 40 GHAB Cc1ccccc1NC(=O)Cc1nc(CSc2nnc3ccccn23)cs1 5212942 MWSXFFIJXQSFFA-UHFFFAOYSA-N 395.513 3.968 0 40 GHAB C[C@@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)c1c[nH]c2ccccc12 5289134 XRLSDFCTSPOYAT-KZULUSFZSA-N 394.452 3.785 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCCCCn2cnc3ccccc3c2=O)cc1 5307778 KKWUJHOIPSROAS-UHFFFAOYSA-N 392.459 3.554 0 40 GHAB O=C1N/C(=C\c2ccc3c(c2)OCO3)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 5770765 HPANEIZYUUNXGR-LSCVHKIXSA-N 394.471 3.915 0 40 GHAB O=C(OCC(=O)N1CCc2ccccc21)c1cccnc1Nc1ccccc1F 5957733 TYCUNDXLAIDSPO-UHFFFAOYSA-N 391.402 3.710 0 40 GHAB CSc1nc2ccc(NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)cc2s1 6587105 GHWLUIHRUGCPNS-SNVBAGLBSA-N 397.481 3.641 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc21 7323264 BCVZTJOCQQZJPK-UHFFFAOYSA-N 380.469 3.940 0 40 GHAB CC(C)CN(C(=O)c1cccc(Oc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 7406092 XEKZQJNFTHOLAC-SFHVURJKSA-N 387.501 3.764 0 40 GHAB O=C(COC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCCCO2 7886809 QBIRPPJRRAUIPG-UHFFFAOYSA-N 380.318 3.906 0 40 GHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1 8276589 JNXPGYCXYLDKQP-JTDSTZFVSA-N 378.538 3.558 0 40 GHAB CN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 8428779 HBMCQBVTYPARAU-UHFFFAOYSA-N 392.546 3.585 0 40 GHAB Cc1c(N2C(=O)[C@@H](C)S[C@@H]2c2ccccc2)c(=O)n(-c2ccccc2)n1C 8715617 QKWGWRNFIYSVPV-QVKFZJNVSA-N 379.485 3.652 0 40 GHAB C[C@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1ccc(F)cc1 8734136 JOWMANDWLLFXKL-ZDUSSCGKSA-N 389.500 3.862 0 40 GHAB Cc1nc2cc(NC(=O)CSc3nnc(C)n3Cc3ccccc3)ccc2o1 8745477 GBARZSCLDOPRLO-UHFFFAOYSA-N 393.472 3.815 0 40 GHAB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc1 8843846 DXMMLLVGGNFTTC-HXUWFJFHSA-N 379.460 3.969 0 40 GHAB COc1cccc2cc(-c3nnc(NC(=O)c4ccc(N(C)C)cc4)o3)oc12 8962984 VDMLXWGGSRYRLW-UHFFFAOYSA-N 378.388 3.810 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 9033467 YISQNYPTQRPEDG-UHFFFAOYSA-N 381.350 3.829 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9710066 MJHZAJVJMKOXAE-GFCCVEGCSA-N 383.839 3.734 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1I 10405489 FBYNXXUDKLMWOY-UHFFFAOYSA-N 395.196 3.591 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1ccc(NC(=O)C2CC2)cc1 10925682 ZIWKOLMZERMMTJ-UHFFFAOYSA-N 389.249 3.815 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 11612627 PQVCFTPYLVOABT-OAHLLOKOSA-N 394.443 3.537 0 40 GHAB COc1ccc(OCCC(=O)Nc2ccc(I)cc2)cc1 11637410 GGZSYYQYMSTVCJ-UHFFFAOYSA-N 397.212 3.707 0 40 GHAB O=C(Cc1cccc(F)c1)N1CCC[C@@H](c2ccnc(-c3cccnc3)n2)C1 12119374 VCRKIKSZLZLNQU-GOSISDBHSA-N 376.435 3.626 0 40 GHAB Cc1c(C(=O)NCc2ccco2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 12274467 BCHOMJROBSSZCO-UHFFFAOYSA-N 399.410 3.907 0 40 GHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 12507141 IZUUPNVSVIKHBX-HNNXBMFYSA-N 394.500 3.792 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(-c3nccs3)cc2)c1 12892915 MNMNWZWCYSWFGJ-UHFFFAOYSA-N 394.456 3.979 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccnn1Cc1ccccc1Cl 13023955 RWOIXGPFWYDNSP-UHFFFAOYSA-N 383.835 3.885 0 40 GHAB c1cncc(-c2nc(N3CCN4CCCC[C@H]4C3)ncc2-c2ccsc2)c1 13266246 FWYYTKHIZUXMHY-SFHVURJKSA-N 377.517 3.942 0 40 GHAB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1C 14091722 YXNNLLJJALEQDZ-UHFFFAOYSA-N 396.516 3.937 0 40 GHAB C[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccc(Cl)c(Cl)c1 14424861 ZDXPNDIKJGXDMR-VIFPVBQESA-N 382.272 3.642 0 40 GHAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc(=O)c2c1 15859914 QGNNQBBLBVJREI-GOSISDBHSA-N 394.471 3.960 0 40 GHAB Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1C 16085396 XKHQIMYEZIKHKM-UHFFFAOYSA-N 387.288 3.527 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)C4CC4)cc3)C2=O)cc1 17077770 JWCHOXIOQCBFMO-SFHVURJKSA-N 380.469 3.768 0 40 GHAB O[C@H](COc1cccc2ccccc12)CN1CCN(c2ccccc2F)CC1 17201204 LJOBLRRPOCHELF-IBGZPJMESA-N 380.463 3.541 0 40 GHAB Cc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 18058600 CVHTYUFBCXQGCP-UHFFFAOYSA-N 381.482 4.000 0 40 GHAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)n2)cc1 19211155 ZMNJVMKRRCQTEJ-JKIFEVAISA-N 388.514 3.576 0 40 GHAB COc1ccc(OC)c(CN2C[C@@H](c3cc[nH]n3)[C@H](c3ccc(F)cc3)C2)c1 19551701 BHFIKJRCNPZXLS-VQTJNVASSA-N 381.451 3.949 0 40 GHAB COc1ccc2[nH]cc([C@H](O)CN3CCC(Oc4ccc(F)cc4)CC3)c2c1 19563183 FUUUITNDTWLGFK-JOCHJYFZSA-N 384.451 3.892 0 40 GHAB COc1cccc(-c2nnc(CSc3nnc(COc4ccccc4)o3)o2)c1 19929079 RVCSWOKFERPUKN-UHFFFAOYSA-N 396.428 4.000 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937713 MTUZIGIFKHRMAM-HNNXBMFYSA-N 395.890 3.770 0 40 GHAB C[C@@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(F)cc1 20043943 BWTOFCDVDWAYAJ-CHWSQXEVSA-N 398.887 3.511 0 40 GHAB CCCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)cc1 21633257 FAXXNJSFHWWQPL-UHFFFAOYSA-N 399.472 3.550 0 40 GHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NCCCOC 22530938 NEPIUZNBDXKRQI-HXUWFJFHSA-N 398.503 3.866 0 40 GHAB C[C@H](NC(=O)[C@H](C)N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 22788078 FNRSOHSFDYESQC-ROUUACIJSA-N 385.939 3.724 0 40 GHAB CCc1c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cnn1-c1ccc(C)cc1 23108639 YTDIEDDUWGBPER-QFIPXVFZSA-N 394.494 3.915 0 40 GHAB Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)n1 24754853 IVBDSVMONIWQRD-UHFFFAOYSA-N 389.411 3.666 0 40 GHAB CC(C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 25286309 HJMXJKGJIVEHSM-QFIPXVFZSA-N 378.516 3.981 0 40 GHAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(OCC(=O)N(C)C)cc1 25654441 XWLMOBZNLJTOPD-UHFFFAOYSA-N 384.476 3.603 0 40 GHAB COc1ccc(CC(=O)OCc2cc(-c3ccccc3OC)no2)c(OC)c1 26267269 INOPMIBPMQDPCA-UHFFFAOYSA-N 383.400 3.653 0 40 GHAB Cc1ccc2oc(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)cc(=O)c2c1 27990941 GCNIWXKXHKCLMP-OAHLLOKOSA-N 383.469 3.984 0 40 GHAB C/C=C/C=C/C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 27994172 XTYLHWBHJNQHKF-UMCKCUICSA-N 398.484 3.722 0 40 GHAB CN1CCN(C(=O)CCCc2nc(-c3ccccc3)no2)[C@@H](c2ccccc2)C1 30030360 XXTCXOZYIJIQKK-HXUWFJFHSA-N 390.487 3.575 0 40 GHAB COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2ccccc2F)cc1 32091460 CTSBTUPJXYKTGJ-KRWDZBQOSA-N 394.406 3.528 0 40 GHAB Cc1nc2ccccc2nc1COC(=O)c1ccc(N2CCCCC2=O)cc1 32830252 MVHBNNAQPBEXEE-UHFFFAOYSA-N 375.428 3.812 0 40 GHAB O=C(NCc1ccccc1)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290485 AZXPFCCGVDRAQD-QGZVFWFLSA-N 386.455 3.909 0 40 GHAB Cc1ccccc1/C=C1/SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O 35648342 IPFTYYJDJFWZSW-WLSWZUKCSA-N 383.494 3.892 0 40 GHAB CN(C)c1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)NC(C)(C)C2)cn1 36740462 WUPZYAVYNGQZNT-UHFFFAOYSA-N 399.558 3.993 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1c(C)nn(CC(C)C)c1C 39996384 DUYWTOHDVOUXEN-UHFFFAOYSA-N 399.535 3.908 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)C1 40106041 FDWPYDFMGNWZBL-BRWVUGGUSA-N 379.566 3.792 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccccc1 44947589 MAWLHPYNOAZODE-IEBWSBKVSA-N 388.533 3.725 0 40 GHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC(=O)Nc1ccccc1 47898771 VHDNONGZGSEFAB-UHFFFAOYSA-N 387.798 3.811 0 40 GHAB COc1ccc(CC(=O)Nc2cccc3ccc(-n4ccnc4)nc23)cc1OC 49028052 NDRHCIRBNUQPIR-UHFFFAOYSA-N 388.427 3.619 0 40 GHAB O=C(c1cc(Cl)ccc1Cl)N1CCN(C[C@H](O)c2cccs2)CC1 49031298 SCDKFTOVFHEQOO-HNNXBMFYSA-N 385.316 3.546 0 40 GHAB O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H]1CCCOc2ccc(F)cc21 53367611 IHCFBELQXCLEOO-OAHLLOKOSA-N 387.436 3.900 0 40 GHAB O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Nc2cccc(F)c2)CC1 56531254 HCYYTTZLWACUBA-UHFFFAOYSA-N 376.819 3.757 0 40 GHAB Ic1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1 57326763 LKPFLHKARUIIIZ-UHFFFAOYSA-N 388.168 3.680 0 40 GHAB COc1ccc([C@H](NC(=O)CN2C(=O)CSc3ccccc32)C(C)C)cc1 57894971 NZDWZUZSFAMIDR-OAQYLSRUSA-N 384.501 3.647 0 40 GHAB O=C(Nc1ccc(NC(=O)N2CCC[C@H](N3CCCC3)C2)cc1)c1ccco1 58210513 QQAOUVCBDJKUNX-SFHVURJKSA-N 382.464 3.624 0 40 GHAB COc1ccc2ccccc2c1CNC(=O)Nc1cnc2c(c1)c(C)nn2C 61402136 JQRRZWOVYZCIMU-UHFFFAOYSA-N 375.432 3.760 0 40 GHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 64947108 NXIYEFWENGBEAG-UHFFFAOYSA-N 376.503 3.755 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N2CCCCC2)cc1 72216111 WOAJVYPLBBPYMF-HXUWFJFHSA-N 385.533 3.906 0 40 GHAB Cc1cc(C)nc(Nc2cncc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1 72354329 AZCAQWKHFYOZIJ-SFHVURJKSA-N 388.475 3.647 0 40 GHAB Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)c4scnc4C)C3)n2)nc1 72377998 MJEYLLGEVXGUFH-OAHLLOKOSA-N 394.504 3.708 0 40 GHAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)n1 72382954 PVQROKMGTDWMNL-GOSISDBHSA-N 388.475 3.647 0 40 GHAB O=C(NCCC(=O)N1CCCc2ccccc21)c1ccc(Cl)c2cccnc12 84581941 NYNOLGNFQKOCSL-UHFFFAOYSA-N 393.874 3.988 0 40 GHAB Cc1nnc2n1C[C@H](C(=O)N1CCCC[C@@H]1c1nc3ccccc3s1)CC2 89740844 YFYKMUYBBMMLMA-GDBMZVCRSA-N 381.505 3.512 0 40 GHAB O=S(=O)(Cc1coc(-c2cccs2)n1)C[C@@H](O)c1ccccc1Cl 95954934 ZTSKMTHMPNLRSO-CQSZACIVSA-N 383.878 3.705 0 40 GHAB COc1ccc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3)c2C(=O)O)cc1 96297064 DKIFDBVMFPDNJP-GFCCVEGCSA-N 381.388 3.931 0 40 GHAB biogenic,in-vitro Cc1nnc(N2CCN(Cc3ccccc3)CC2)c2nn(-c3ccccc3)c(C)c12 96319051 QLQXPJTZRDUDNZ-UHFFFAOYSA-N 398.514 3.755 0 40 GHAB CCOc1ccc(S(=O)(=O)/C(=C\Nc2ccc(CC)cc2)C(=O)OC)cc1 100025932 YHNZATGCJLSPHG-RGEXLXHISA-N 389.473 3.548 0 40 GHAB Cc1cnc(C(=O)N2[C@H]3CC[C@@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 100112743 KRJLJPUJKHBOMI-YEWWUXTCSA-N 391.393 3.876 0 40 GHAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2ON=C(c3ccccc3Cl)[C@H]2C1=O 101359183 YQFQEEHBPLXGRA-GDBMZVCRSA-N 375.211 3.594 0 40 GHAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)[C@H]2C=C[C@H]1C2 101953095 VRJYAOSQBPBCPN-XMUKKISLSA-N 380.878 3.986 0 40 GHAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccccc1SC(F)F 103025867 BDKYCRPRUBBDEV-TXEJJXNPSA-N 382.432 3.505 0 40 GHAB N=C1NC(=S)[C@@H](C(N)=O)C2(CCCCC2)[C@H]1c1nc(-c2ccccc2)cs1 103526660 CKUYWQJPNXSXEX-HUUCEWRRSA-N 398.557 3.854 0 40 GHAB COc1ccc2ccccc2c1[C@@H]1C=C(c2ccccc2)Nc2[nH]c(=O)[nH]c(=O)c21 104781841 PBNMQSATAQHXSS-KRWDZBQOSA-N 397.434 3.824 0 40 GHAB Cc1ccc(C)c(-c2nn(CN3C[C@@H](C)OC[C@H]3C)c(=O)c3ccccc23)c1 107489862 AKARJUDKGYSTBE-QZTJIDSGSA-N 377.488 3.747 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)NCCCN3CCc4ccccc43)cc2)n1 116182055 LYRJSXSUYREOOQ-UHFFFAOYSA-N 388.515 3.731 0 40 GHAB COc1cccc(O[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 216422470 YEXYIUJSQKEXSY-INIZCTEOSA-N 388.895 3.773 0 40 GHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 219329232 UEFYDCYTYMZUIU-GOSISDBHSA-N 399.422 3.700 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc4ccccc4c3)ccc21 222820556 GPZUOTRTNFHZNG-UHFFFAOYSA-N 394.496 3.617 0 40 GHAB CCOc1ccc(-c2noc(CNC(=O)c3ccc(OCC)c(C)c3)n2)cc1 223398340 XOPFRJOPGKYWLW-UHFFFAOYSA-N 381.432 3.772 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)ccc1Cl 223828416 CSXDAQPQOBPVKA-UHFFFAOYSA-N 390.244 3.589 0 40 GHAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1F 224516378 XESMKNCAGQLUAK-GOSISDBHSA-N 384.495 3.600 0 40 GHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(CN2CCOCC2)c1 224752055 NSYFFDPABVBWNA-QHCPKHFHSA-N 396.531 3.609 0 40 GHAB Nc1cc(C(=O)O)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 225322874 OIEATBCIXYYEFT-UHFFFAOYSA-N 387.483 3.879 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3ccc(C)cc3C)ccc21 225397499 SRLNRMJWBYKBQI-MRXNPFEDSA-N 386.517 3.642 0 40 GHAB COc1ccc(CN(C(=O)CCc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225675689 FLIAHXHTJONNGA-IBGZPJMESA-N 396.531 3.878 0 40 GHAB Cc1nn(CCNC(=O)c2cncc(Br)c2)c(C)c1-c1ccccc1 238920146 SYBJQAWDEXICLR-UHFFFAOYSA-N 399.292 3.754 0 40 GHAB COc1ccc2ccccc2c1CCC(=O)N1[C@H]2CC[C@H]1CC(n1nccn1)C2 253472677 OLHMAVPRYCUIQO-ROUUACIJSA-N 390.487 3.767 0 40 GHAB O=C(NCc1cccnc1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257213888 CJNLTABEYDPZCO-UHFFFAOYSA-N 387.483 3.799 0 40 GHAB O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cc(-n2cccc2)ccc1Cl 257250548 JMYWRKYYNSJLPH-UHFFFAOYSA-N 395.267 3.903 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)o1 306128415 GZQIBOYOTAIOHK-SFHVURJKSA-N 387.443 3.713 0 40 GHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2CN(Cc3ccccn3)C[C@@H]21 306130783 JPHWQYBFLPDZDM-ICSRJNTNSA-N 382.510 3.565 0 40 GHAB CCCOc1ccc(N2C[C@@H](C(=O)NCCCc3ccccc3)CC2=O)cc1 408706556 BMAPHELXDDYUFW-IBGZPJMESA-N 380.488 3.577 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)NCc3ccccc3OC(C)C)CC2=O)cc1 408706570 BPZSGTFFZXDNLG-IBGZPJMESA-N 380.488 3.706 0 40 GHAB COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1OCC(C)C 409201910 RAQBOSUSEFUGLD-WQRHYEAKSA-N 380.444 3.823 0 40 GHAB CC(C)c1nnc(C(=O)NC[C@H](C)Oc2ccccc2Br)s1 555540337 LRWNDICHBNYVQG-JTQLQIEISA-N 384.299 3.621 0 40 GHAB O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CCCCN1Cc1ccccc1 607283486 VGWZRYPPFQBXIE-HSZRJFAPSA-N 392.543 3.906 0 40 GHAB O=C(N=c1cc[nH]cc1Br)N1CCC[C@H](c2ccc(F)c(F)c2)C1 626468462 GMHGYZIKVNGMGL-LBPRGKRZSA-N 396.235 3.956 0 40 GHAB NC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)CC[C@H]1C(F)(F)F 627048239 VWXFCMSPJUOVBJ-BSDSXHPESA-N 383.458 3.739 0 40 GHAB C[C@H]1CCCc2ncc(C(=O)N[C@H]3CCc4nc(-c5ccccc5)ncc4C3)n21 651235838 LVJSXCQWGPURBY-YJBOKZPZSA-N 387.487 3.525 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2cc(O)nc3cc(F)ccc23)c(C)c1OC 673384473 RFVNKOXOQDPDCK-LBPRGKRZSA-N 384.407 3.896 0 40 GHAB O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCC[C@@H](C[C@H]2CCOC2)C1 678646951 KQGAJPHUYJBMNJ-ZWKOTPCHSA-N 392.499 3.962 0 40 GHAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)Nc1ccc2cc[nH]c2c1 1548348942 WFTJUOQRURNHMY-UHFFFAOYSA-N 389.455 3.702 0 40 GHAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1ccc(F)cc1Cl 1561738812 VTGAOTMSLOVBRV-QGZVFWFLSA-N 379.840 3.644 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](COc2ncccn2)C1 1775970469 NQVYLARIPQPPFI-ZDUSSCGKSA-N 380.370 3.818 0 40 GHAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 1889148750 VQDAUOBHMCYAFP-CQSZACIVSA-N 383.439 3.832 0 40 GHAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909361 WYSNCDKHAKKQCL-OAQYLSRUSA-N 390.455 3.682 0 40 GHAB COc1ccc(CN2CCC3(CC[C@H](CNC(=O)OC(C)C)OC3)CC2)cc1 2056225635 VETIATUVWXSGHJ-HXUWFJFHSA-N 390.524 3.591 0 40 GHAB CN(c1ncc(Cl)cn1)C1CCN(c2cnc3cc(Cl)ccc3n2)CC1 2080582110 QJLHRRBLCWGEBM-UHFFFAOYSA-N 389.290 3.832 0 40 GHAB O=C(OCC(=O)N1CCc2ccccc21)c1ncc(Cl)c(Cl)c1Cl 2658701 MTFWELICDOTNHC-UHFFFAOYSA-N 385.634 3.788 0 40 GHAB C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)NCc1ccccc1 1221539 KLFQXVFXBIUNTH-OAHLLOKOSA-N 389.484 3.613 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 3394619 UIJSPYNAZBHSNH-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CN(CCOC)C(=O)c3ccc(C)cc3)cc2c1 4861317 UWNPLDJAYLECLM-UHFFFAOYSA-N 394.471 3.524 0 40 GHAB Cc1ccc(-c2noc([C@H](C)N(C)Cc3nc4ccccc4c(=O)[nH]3)n2)cc1F 32901291 VOPVTJRUIBJCGT-ZDUSSCGKSA-N 393.422 3.614 0 40 GHAB COc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)cc1 6680781 WVDBPSLRAMJWFP-UHFFFAOYSA-N 395.502 3.541 0 40 GHAB COc1cccc2cc(C(=O)NCCSCc3cccs3)c(=O)oc12 18109338 CWNFAIZAUNHFLO-UHFFFAOYSA-N 375.471 3.526 0 40 GHAB Cc1cc(C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3cc(C)no3)CC2)on1 100743669 BXHLUVAAUMRRHE-IYBDPMFKSA-N 395.463 3.749 0 40 GHAB CCn1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c2ccccc21 106755650 MVBBMRKWEIMBMS-PDGQHHTCSA-N 397.500 3.710 0 40 GHAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2C)cc1 8415337 MQGYKBHZZRFBGM-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB CCCCN1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(C)=O 9287574 KHLXIUFBGHSWPJ-XMMPIXPASA-N 387.483 3.963 0 40 GHAB O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@H](c2nnc3n2CCCCC3)C1 23025689 FOIKWUYAGYMIHL-LBPRGKRZSA-N 394.853 3.956 0 40 GHAB CCn1c(SC[C@@H]2CN(CC(C)C)CCO2)nc2sc(C)c(C)c2c1=O 23674766 CDIBYMSXSRSNDF-HNNXBMFYSA-N 395.594 3.544 0 40 GHAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1cccc(OCc2ccccn2)c1 55646929 CCMABJMAUFBWCZ-ZHRRBRCNSA-N 390.439 3.678 0 40 GHAB COCCCn1c(SCc2ccccc2)nc2cc(OC)c(OC)cc2c1=N 100330714 JEGAYGAAMNGXGG-UHFFFAOYSA-N 399.516 3.862 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 22533424 UBGXIJPTIBPBME-CYBMUJFWSA-N 380.897 3.819 0 40 GHAB CC(=O)c1ccc(N2CCN([C@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 57449620 BLELFAIXXVYIQY-CQSZACIVSA-N 382.489 3.884 0 40 GHAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1C 72295578 FKFKLOAWVIRHSV-UHFFFAOYSA-N 376.526 3.557 0 40 GHAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCC[C@@H]1CC1CCCCC1 58266536 WMTLVULWBBHPDZ-HXUWFJFHSA-N 379.504 3.872 0 40 GHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NC(C(C)C)C(C)C)S(C)(=O)=O 10336370 VFOKQDSRLBEMMS-AWEZNQCLSA-N 388.961 3.600 0 40 GHAB CSc1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 20460571 WQFAYOLVNOAASP-UHFFFAOYSA-N 376.503 3.645 0 40 GHAB Cc1ccccc1CN1CCC(NC(=O)c2nc(C(C)C)ncc2Cl)CC1 58393528 REFQDXHPBTZSIN-UHFFFAOYSA-N 386.927 3.956 0 40 GHAB O=C(Nc1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C1CC1 10669988 YZBRMVKAOBJWCR-UHFFFAOYSA-N 398.406 3.532 0 40 GHAB CCOc1ccc(-c2nsc(NC(=O)COc3ccc(OC)cc3)n2)cc1 28287419 MRAJLXGGCBITJW-UHFFFAOYSA-N 385.445 3.630 0 40 GHAB O=C(O)CCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O 2330820 XGMQENGSCBOLDI-ATVHPVEESA-N 383.425 3.777 0 40 GHAB Cc1nc(-c2cc(C(=O)NCc3cccc(NC(=O)C4CC4)c3)n(C)c2)cs1 12781278 BPDZUHWJZRUIOT-UHFFFAOYSA-N 394.500 3.736 0 40 GHAB COC(=O)C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1cccs1 12864295 RNNDBZANLXTRFS-LBPRGKRZSA-N 388.272 3.854 0 40 GHAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 12802643 IVOHWDOVUAKOIX-DJERARLCSA-N 382.460 3.912 0 40 GHAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1ccc2c(c1)OCO2 8751539 OZXZPNHEMQGFQJ-UHFFFAOYSA-N 380.448 3.929 0 40 GHAB COc1ccc(NC(=O)[C@H](NC(=O)Cc2cccs2)c2ccccc2)cc1 3615203 FVIFUHYJBMLUAX-HXUWFJFHSA-N 380.469 3.795 0 40 GHAB aggregator CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3nc(-c4ccco4)no3)C2=O)cc1 13010317 USSZHWAQEBVTFE-NRFANRHFSA-N 394.431 3.594 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(F)cc1Br 39980549 WRXYEUMWJNNPRF-UHFFFAOYSA-N 380.213 3.632 0 40 GHAB O=C(COc1ccccc1Cc1ccccc1)NC[C@H]1COc2ccccc2O1 6261012 JPFZNQDHEZVCFL-FQEVSTJZSA-N 389.451 3.612 0 40 GHAB Cc1cccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)c1 5397991 NHBRWMRIVODKQK-UHFFFAOYSA-N 398.260 3.620 0 40 GHAB COc1cc(Br)c(CCNC(=O)Cc2ccccc2F)cc1OC 14198947 YGWVWJUXBMCPTK-UHFFFAOYSA-N 396.256 3.507 0 40 GHAB c1ccc(-n2nnnc2-c2cnc(-c3ccncc3)nc2-c2cccs2)cc1 4568151 BCFFQUDODISUEF-UHFFFAOYSA-N 383.440 3.910 0 40 GHAB COc1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)C(C)C)cc1 14253240 WYQDKFPKIVRQFB-QFIPXVFZSA-N 395.503 3.513 0 40 GHAB COc1cc(Br)c(CSC2=N[C@@H]3CCCC[C@H]3N2)cc1OC 14244896 ICNQJRZYMQKONC-CHWSQXEVSA-N 385.327 3.970 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3nnc(C)s3)[C@@H]2c2cccs2)cc1 6553682 HFKRFJZMRHYYMF-WMLDXEAASA-N 398.513 3.949 0 40 GHAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1 6602599 VAPJUXVGVBCWGY-KRWDZBQOSA-N 392.565 3.613 0 40 GHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(Cl)cc2)cc1 4724040 ZOXKFCOPVSREIE-SFHVURJKSA-N 395.850 3.868 0 40 GHAB COc1c(Cl)c(-c2cc(C3(O)CCCCC3)on2)c(OC)c2c1OCO2 15082598 IQOSZTPBPHMZEU-UHFFFAOYSA-N 381.812 3.893 0 40 GHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 408590353 GHDIHEANWAKURQ-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB COc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c(OC)cc1Cl 4975566 IPTIXZMOWXASHJ-ZDUSSCGKSA-N 388.851 3.657 0 40 GHAB CSCC[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 15190407 SVYSPZUKCFADHJ-OWCLPIDISA-N 394.924 3.575 0 40 GHAB C[C@@H](OC(=O)COc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cn1 5990709 UIXLBUQDZIRFPM-CYBMUJFWSA-N 384.819 3.837 0 40 GHAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 39964100 YZGOVLIYLXIENT-LJQANCHMSA-N 390.443 3.514 0 40 GHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc2ccccc2n1CC 7153854 IJMKPRPUTUOZFF-UHFFFAOYSA-N 397.500 3.926 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccnc2)N1c1nccs1 9253844 AOGNVTMTTRIRPJ-OAHLLOKOSA-N 379.372 3.533 0 40 GHAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1cc(Cl)cc(Cl)c1 15910109 ZINRIYFLLIKNRK-UHFFFAOYSA-N 391.210 3.630 0 40 GHAB C[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)C12CC3CC(CC(C3)C1)C2 7921319 QTQLFKOJMGSKBQ-BUBBNXEVSA-N 387.549 3.534 0 40 GHAB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1occc1-c1ccccc1 16537978 DPJACDCUJLVSJS-HXUWFJFHSA-N 391.423 3.704 0 40 GHAB CSc1ccc(COC(=O)CCNC(=O)CCC(=O)c2ccccc2)cc1 16695576 FRHWQSIYZJPILQ-UHFFFAOYSA-N 385.485 3.621 0 40 GHAB CSc1ncc(C(=O)N(C)Cc2ccc3c(c2)OCO3)n1-c1ccc(F)cc1 22693134 VNCSPZXRQFCLMQ-UHFFFAOYSA-N 399.447 3.734 0 40 GHAB Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1cccs1)Cc1cccs1 8156337 LPZWGDGNZLPJDZ-UHFFFAOYSA-N 381.548 3.551 0 40 GHAB Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cc(C(C)(C)C)no1 8395271 IYEKDDUDPSTSEU-UHFFFAOYSA-N 385.493 3.900 0 40 GHAB CC(C)(C)CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 17057575 RFYPIVWYKSHLCW-UVTDQMKNSA-N 380.897 3.929 0 40 GHAB O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1cc2ccccc2o1 8515998 QEYOZCCVYYPXPT-LDADJPATSA-N 392.436 3.899 0 40 GHAB CCCCC(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O 19939575 WZBJIELYCQMDMA-IBGZPJMESA-N 395.425 3.783 0 40 GHAB CC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)cc1 19911338 UUVCQRPLTJPOQX-UHFFFAOYSA-N 386.358 3.632 0 40 GHAB CC(C)(C)c1ccccc1NC(=O)CCn1cc(Br)ccc1=O 72300981 DHNJDTKARLEJTQ-UHFFFAOYSA-N 377.282 3.937 0 40 GHAB CCCOc1ccc(S(=O)(=O)NCCc2ccccc2)cc1OCCC 72414182 AVNMIIGGGZMMHS-UHFFFAOYSA-N 377.506 3.785 0 40 GHAB CC[C@H](O)CCCNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 78964154 UKSWKGRZKQHRJR-INIZCTEOSA-N 389.496 3.875 0 40 GHAB Cc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)s1 408872455 DNOGKQITCOCMPA-ZSOIEALJSA-N 376.434 3.871 0 40 GHAB O=C(NC[C@H](O)c1cc2ccccc2s1)c1ccc(NC(=O)C2CC2)cc1 84595018 GBWVHRYWJHUCBS-KRWDZBQOSA-N 380.469 3.713 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@@H]1CCO[C@@]2(CCOC2)C1 95457745 VVWVUWPJKNMVKE-XLIONFOSSA-N 375.900 3.570 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CNC3(c4ccc(F)cc4)CCOCC3)n2)s1 95953319 ZCAOWYGFFMZTIV-UHFFFAOYSA-N 399.491 3.672 0 40 GHAB Cc1nc(CN2C(=O)c3cccn3[C@H]3CN(Cc4sccc4C)C[C@@H]32)cs1 306137341 QTQIYUJCZZTEEP-ROUUACIJSA-N 398.557 3.704 0 40 GHAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)N[C@@H](C(=O)O)c1ccccc1 20722619 ULTKJZDJWCEROB-QGZVFWFLSA-N 386.860 3.948 0 40 GHAB CCOc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)N(C)C 33013288 FENBGXSNOKWXEN-UHFFFAOYSA-N 381.432 3.578 0 40 GHAB CCN(C(=O)[C@@H](C)S(=O)(=O)Cc1cc(Cl)ccc1OC)c1ccccc1 32929849 WILSJAIURLEZKQ-CQSZACIVSA-N 395.908 3.705 0 40 GHAB O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccccc1OC(F)(F)F 31722451 WSOSNRDSRMYJTF-UHFFFAOYSA-N 397.378 3.631 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2csc(Nc3cccc(Cl)c3)n2)CC1 36704607 KWDJWOOUXUOZQL-UHFFFAOYSA-N 393.896 3.955 0 40 GHAB Cc1nccc(-c2ccc(-c3noc(CN4CC[C@@H]5CCCCN5C4)n3)cc2)n1 72339980 SWDMXWCPUJACRI-IBGZPJMESA-N 390.491 3.520 0 40 GHAB COc1ccc([C@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1OC 38756646 XAYXSWHWIJEANV-NSHDSACASA-N 387.860 3.677 0 40 GHAB O=c1n(Cc2ccc(F)cc2)nc2nnc(-c3ccccc3)c(-c3ccccc3)n12 72339934 YGYGCKUKWXPPKS-UHFFFAOYSA-N 397.413 3.807 0 40 GHAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1[C@H](O)c1ccccc1 72223657 CWJCSJFMPNTLCT-HXUWFJFHSA-N 383.492 3.529 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 224253390 OVTZQTRTXOZIPN-JOCHJYFZSA-N 396.531 3.934 0 40 GHAB Cc1ccc(C(=O)N2CCCCCC2)cc1N(C)S(=O)(=O)c1ccccc1 224290340 STESJTPPQSZOSW-UHFFFAOYSA-N 386.517 3.836 0 40 GHAB Cc1cc(C(=O)NCc2ccccc2)ccc1N(C)S(=O)(=O)c1ccccc1 224187689 AITXWTKNZVDGDJ-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 224553053 WRQDWHBBGFVSRW-ZDUSSCGKSA-N 392.546 3.969 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 223773200 LNXGXXWSXZAWEQ-INIZCTEOSA-N 388.508 3.861 0 40 GHAB COc1ccc(CNC(=S)Nc2nc(C)cc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 225932219 LOKKEEYAMRDMOY-HUUCEWRRSA-N 399.564 3.763 0 40 GHAB CCOc1ccccc1NC(=S)NCc1nc(-c2ccc(OC)cc2)no1 225823558 AQNSBTIMUCELKQ-UHFFFAOYSA-N 384.461 3.631 0 40 GHAB CCOC(=O)c1cc(N(CC)S(=O)(=O)c2ccc(OC)cc2)ccc1Cl 224870637 PLGUVYZDXOMBAK-UHFFFAOYSA-N 397.880 3.741 0 40 GHAB O=C(c1ccc(=NCC2CC2)[nH]c1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 576368510 KICWNHLEZLKCJP-UHFFFAOYSA-N 392.478 3.966 0 40 GHAB CCc1nc(-c2cc(C(=O)NCCc3ccccn3)c3ccccn23)cs1 96154819 QZSNMMKNABCFBR-UHFFFAOYSA-N 376.485 3.993 0 40 GHAB CN1CCCN(C(=O)c2ccnn2-c2ccc3ccc(-c4ccccc4)cn23)CC1 96155236 FKHYYDXVBCUUTH-UHFFFAOYSA-N 399.498 3.570 0 40 GHAB O=C(NCCC1=CCCCC1)C1CCN(C(=O)NCc2cccs2)CC1 42384877 KFGXLCXBIZJHJB-UHFFFAOYSA-N 375.538 3.676 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 244334841 XQCSQMUCKGSTEP-UHFFFAOYSA-N 388.533 3.833 0 40 GHAB Cn1cc(CN2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 257327526 XBRZPUREGFPXSA-NRFANRHFSA-N 382.895 3.633 0 40 GHAB O=C(CN1CCCCCC1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257286490 PLTOUIDMHGYXEO-IBGZPJMESA-N 399.510 3.987 0 40 GHAB C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccccn2)CC1 257327695 XCHJHTDYPXUMNH-BRSBDYLESA-N 393.535 3.651 0 40 GHAB Cc1cccnc1C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 257261815 LIXGNLTZWUREIJ-ZJSJBZJDSA-N 378.472 3.922 0 40 GHAB O=C(N[C@@H]1C[C@H](c2cccc(OCCO)c2)O[C@@H]2CCCC[C@@H]12)c1ccccc1 257200268 ACQLFJAUSMKFSH-WBADGQHESA-N 395.499 3.877 0 40 GHAB CN(C)C(=O)c1ccc(CNC(=O)c2ncsc2Nc2ccccc2)cc1 646621097 RCASOPPMEMLQNH-UHFFFAOYSA-N 380.473 3.519 0 40 GHAB Cc1csc([C@@H](C)NC(=O)N2CCOc3cc(Br)ccc3C2)n1 660553749 FYOLEVPPTZTQAQ-LLVKDONJSA-N 396.310 3.879 0 40 GHAB O=C(NCc1ccc2occc2c1)NC1CCN(C(=O)c2ccccc2F)CC1 663580953 JHUOIHARCGUWQM-UHFFFAOYSA-N 395.434 3.676 0 40 GHAB CS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 663921397 VBXPCCYBQOVPRD-UXHICEINSA-N 392.565 3.917 0 40 GHAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N[C@H]1CCN(C(C)(C)C)C1 664427288 ZJKAGGNJZYNPFQ-SFHVURJKSA-N 383.540 3.668 0 40 GHAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCN(C(=O)/C=C/c3ccco3)C2)n1 585291636 DVUYFDXRLNCNSZ-LLYBFZRZSA-N 395.488 3.916 0 40 GHAB Cc1cccc2c1OC[C@@H](NC(=O)c1cc3c(C(F)F)nn(C)c3s1)C2 571815704 QFSWRZSEMJQKTK-NSHDSACASA-N 377.416 3.614 0 40 GHAB Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)c(O)n1 1615128572 UCSZROUMPGUUAB-BEFAXECRSA-N 383.467 3.754 0 40 GHAB Cc1nc(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)n(CC(C)C)c1C 5262891 NVFDOZZJHATSEO-OAHLLOKOSA-N 380.558 3.795 0 40 GHAB CSc1ccccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 5439129 QVDODXMMFWKMKI-UHFFFAOYSA-N 376.503 3.591 0 40 GHAB CCC(CC)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1OC 5625342 XSBUCDZOTYRUTM-UHFFFAOYSA-N 393.487 3.897 0 40 GHAB COc1ccc(OC)c(CN2CCCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)c1 12337788 NZKGVIBCHGUNNK-IBGZPJMESA-N 396.491 3.796 0 40 GHAB COCCNC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 12935097 ULDCDKCSUVDIII-OUKQBFOZSA-N 375.472 3.683 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713085 XEYHWISJXRJTFH-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 19495783 BYRURXNSASYPEX-PBHICJAKSA-N 396.466 3.549 0 40 GHAB CCCC(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(C1CCCCC1)CC2 19501408 CRORMQISPTWTOL-LJQANCHMSA-N 386.540 3.727 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)s1 4970477 PFKFUUXOLVUXLL-UHFFFAOYSA-N 376.434 3.973 0 40 GHAB Cc1ccc2c(c1)CN(C)C[C@@]1(CCCN(C(=O)Cc3ccc(F)cc3)C1)O2 12365368 DFXWCMRZESVBKE-HSZRJFAPSA-N 382.479 3.562 0 40 GHAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1c(Cl)cccc1Cl)C2 19292590 OUXLQXJTYJCDFH-UHFFFAOYSA-N 387.270 3.697 0 40 GHAB Cn1ccnc1[C@H](NC(=O)NCCSc1ccccc1)c1ccccc1F 29325763 XBRPPRAQWIPVIW-GOSISDBHSA-N 384.480 3.740 0 40 GHAB Cc1noc(C)c1C(=O)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1776001510 XDNVQIYFEDHXEX-CYBMUJFWSA-N 383.370 3.636 0 40 GHAB CO[C@H]1CCN(c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)C1 253407847 WUYACZLYTMPMGV-NRFANRHFSA-N 399.922 3.528 0 40 GHAB C[C@]1(C(=O)N2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)CC=CCC1 1565543057 NZOQDLMOBFZMLN-ACIOBRDBSA-N 384.520 3.742 0 40 GHAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)[C@H]1COc2ccccc2O1 5169593 KKJOQGVPQLYULP-CQSZACIVSA-N 392.198 3.822 0 40 GHAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1c(-c2ccccc2Cl)noc1C 10255969 RJLFREPWARUWJZ-QGZVFWFLSA-N 395.846 3.621 0 40 GHAB CCOc1ccc(C(=O)Cn2nc(-c3ccco3)c3sc(C)nc3c2=O)cc1 13010544 XAFSEJKDURRPKN-UHFFFAOYSA-N 395.440 3.703 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCC1(c2ccccc2)CCOCC1 16972139 NBNQIDUQMJSPLJ-UHFFFAOYSA-N 379.909 3.508 0 40 GHAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccc2c(c1)OCO2 16959236 GBCJYCDLWLPGGT-UHFFFAOYSA-N 385.423 3.995 0 40 GHAB Cc1csc(C(=O)N2CC[C@@]3(COc4ccc(-c5cncnc5)cc43)C2)c1 2055793219 BFHCEZOWJGOLLH-NRFANRHFSA-N 377.469 3.690 0 40 GHAB CCCN1CCCc2cc(CCNC(=O)c3c(OC)cccc3OC)ccc21 35588072 YPZGMTQUFFPKPX-UHFFFAOYSA-N 382.504 3.839 0 40 GHAB CSc1ccc(Cc2nnc(NC(=O)c3ccc(Br)o3)o2)cc1 36658277 KKAXGHVNGAGCSX-UHFFFAOYSA-N 394.250 3.990 0 40 GHAB Cn1cc(-c2ncccc2CNC(=O)CSc2nc3ccccc3s2)cn1 575619818 ZHKCBGHJETXXEB-UHFFFAOYSA-N 395.513 3.500 0 40 GHAB CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)c1cccs1 585146827 VUINPWJQONHHJY-ZDUSSCGKSA-N 386.498 3.950 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)O)CCCC3)cc1OC 704094 BSIRTWIPKKFSKD-CSKARUKUSA-N 387.457 3.994 0 40 GHAB CCn1cc([C@H](NC(=O)[C@@H](N)CC(C)C)c2ccc(F)cc2)c2ccncc21 19524810 APMNGZJCEGBCIP-PZJWPPBQSA-N 382.483 3.774 0 40 GHAB CN(c1ccccc1)c1ccccc1NC(=O)COc1cccc(C(N)=O)c1 40157727 DGOCGABIEDEVBF-UHFFFAOYSA-N 375.428 3.571 0 40 GHAB O=C(NC1CCCC1)[C@@H]1CS[C@@H](C(F)(F)F)N1C(=O)Nc1ccccc1 40556256 HQWSJIQZHLJEAG-ZFWWWQNUSA-N 387.427 3.583 0 40 GHAB Nc1cc(N)nc(SCc2nc3cc(Cl)ccc3n2Cc2ccccc2)n1 31820556 ZPWIUAZQBIPTQR-UHFFFAOYSA-N 396.907 3.985 0 40 GHAB COc1ccc(C)cc1N[C@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O 102248542 KUPVLOWOAPEYFR-AWEZNQCLSA-N 378.350 3.766 0 40 GHAB O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC(c2ccc(O)cc2)CC1 32891541 UQLQFRULLIYVMS-UHFFFAOYSA-N 393.531 3.946 0 40 GHAB CCc1ccccc1NC(=S)N1CCC(NC(=O)c2ccc(F)cc2)CC1 4857553 OFTREXQGQMBYKT-UHFFFAOYSA-N 385.508 3.979 0 40 GHAB CCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccc(F)cc1 6629626 REHBWTDCMUPQDS-UHFFFAOYSA-N 398.507 3.810 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 6945315 VCCRWZVSXFTWTJ-OAHLLOKOSA-N 394.924 3.840 0 40 GHAB O=C(NCCS(=O)(=O)Cc1ccccc1)c1cc2c(s1)CCCCCC2 32916013 KIEAIPSBMJSWDT-UHFFFAOYSA-N 391.558 3.752 0 40 GHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccc(F)cc1 7921212 KUJXXNFVPRYMMA-UHFFFAOYSA-N 378.403 3.664 0 40 GHAB COc1cc2c(cc1C[C@@H]1SC(=O)N(c3cccc(Cl)c3)C1=O)OCO2 8114129 HNQXJUPBESIDGK-INIZCTEOSA-N 391.832 3.888 0 40 GHAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 8247814 XOPLQWLMAHSJFB-NSHDSACASA-N 379.243 3.994 0 40 GHAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@@H]1c1cccs1 8324523 NQXFJOGMHQJNHR-QGZVFWFLSA-N 390.530 3.510 0 40 GHAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)c1ccccc1 8339836 QZNKZVWHTCFSKQ-UHFFFAOYSA-N 383.473 3.861 0 40 GHAB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc(C)c1C 8417414 KWZVCLYYEGMZDD-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20492488 WYIYOJBMCUQYCU-UHFFFAOYSA-N 378.881 3.518 0 40 GHAB COC(=O)c1ccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 725769 CHAHJWGETPXAKA-GIDUJCDVSA-N 377.730 3.749 0 40 GHAB C[C@@H](c1ccc(F)cc1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 22789783 LOUPLLMTJMOUDK-HNNXBMFYSA-N 375.875 3.796 0 40 GHAB Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccccc1Cn1cccn1 22976149 YEDYOTGBHWIJAF-UHFFFAOYSA-N 392.484 3.815 0 40 GHAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(F)c2)CC1 100750229 LGAFSCHTIDYXOA-HFJQGTKSSA-N 383.511 3.989 0 40 GHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)NC1CCN(c2ccc(F)cc2)CC1 54651989 USDOUDKZBPFQIB-OXQOHEQNSA-N 377.504 3.689 0 40 GHAB CC[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CCO1 23893853 MVSCVOTWTKQXJZ-LJQANCHMSA-N 391.471 3.799 0 40 GHAB CCOc1ccc(CN(CC)CC(=O)Nc2cc(C(C)C)no2)cc1OC 24245965 LAYHOHBOFROFBS-UHFFFAOYSA-N 375.469 3.666 0 40 GHAB Cc1ccc(NC(=O)Cn2/c(=N\C[C@@H]3CCCO3)sc3ccccc32)cc1 105802499 CBKAKWVYXKURNB-SIUCFOQUSA-N 381.501 3.730 0 40 GHAB O=S(=O)(NCc1cccc(Cn2ccnc2)c1)c1cc(Cl)cc(Cl)c1 24687373 BVWQFBIEKQUYDJ-UHFFFAOYSA-N 396.299 3.717 0 40 GHAB Cc1cc(C)c(OCC(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)c(C)c1 12549654 CZGOKMQKUNVBSL-FQEVSTJZSA-N 381.451 3.769 0 40 GHAB O=C(OCCCN1C(=O)c2ccccc2C1=O)c1cc2c(F)cccc2s1 24842941 VXJANHBFHOOXKS-UHFFFAOYSA-N 383.400 3.884 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1F 103715706 NDXSGWCXBKFIGK-LBPRGKRZSA-N 391.240 3.888 0 40 GHAB CC1CCN(c2cc(SCC(=O)Nc3cc(F)ccc3F)ncn2)CC1 57505573 SMBGVZPAEPMQKE-UHFFFAOYSA-N 378.448 3.722 0 40 GHAB COc1ccc(Nc2ccc(NC(=O)CN(C)C(=O)c3ccco3)cc2)cc1 48263236 YCKDKINGCSQFNY-UHFFFAOYSA-N 379.416 3.743 0 40 GHAB O=C(CN1CCc2sccc2C1)Nc1ccccc1C(=O)c1ccccc1 10341177 CLMIRWPYNVCUOW-UHFFFAOYSA-N 376.481 3.976 0 40 GHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(-n2cccc2)c1 58313076 SAMGFOYDLVZYGM-UHFFFAOYSA-N 377.488 3.748 0 40 GHAB Cc1noc([C@H](C)NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)n1 58421726 GLTZAOHIUMRXFG-LIRRHRJNSA-N 375.432 3.563 0 40 GHAB Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N(C)C)cc(=O)c2cc1Cl 28289503 CHINQASPCHWXLK-AWEZNQCLSA-N 390.892 3.849 0 40 GHAB CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1ccccc1 12730714 KQTKBXYGLOMWEC-MRXNPFEDSA-N 392.546 3.510 0 40 GHAB CCOc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1OC 12761378 VPGPZMVQDHYACF-KRWDZBQOSA-N 383.444 3.842 0 40 GHAB COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2SC)c1OC 11131512 RCOLDIMGWAYKPC-LBPRGKRZSA-N 375.446 3.610 0 40 GHAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1 2403828 WCVNOKMUXBIBNH-OAQYLSRUSA-N 390.483 3.988 0 40 GHAB CS(=O)(=O)Nc1cccc(CNC(=O)c2ccccc2Nc2ccccc2)c1 11359921 URRYCWCSCUEMNF-UHFFFAOYSA-N 395.484 3.732 0 40 GHAB COc1ccc(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1OC 12760180 YFGWAFAVOOMWBM-QFIPXVFZSA-N 385.460 3.531 0 40 GHAB CCOc1ncccc1C(=O)OCC(=O)N1CC[C@@H](C)Sc2ccccc21 11480065 OOUWQRDOHSSTFS-CQSZACIVSA-N 386.473 3.555 0 40 GHAB CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccc2c(c1)CCC2 29433639 NLDGIDIJOKNVRB-UHFFFAOYSA-N 388.489 3.585 0 40 GHAB CC(=O)Nc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1C 12951645 LNAGUBVNITYMGY-UHFFFAOYSA-N 392.459 3.950 0 40 GHAB CCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1 12995607 OOWPMTYUHWUZAO-UHFFFAOYSA-N 394.518 3.574 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(S)n1Cc1ccc2c(c1)OCO2 13683020 KOUXWESSBGETCC-UHFFFAOYSA-N 375.837 3.673 0 40 GHAB CCOC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 5174546 HABPFTYEGKGEJZ-UHFFFAOYSA-N 381.457 3.904 0 40 GHAB C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccc2c(c1)OCCO2 5175077 KYMPGBABHFOWAR-AWEZNQCLSA-N 395.484 3.978 0 40 GHAB COc1cc(C)c(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1OC 5294238 KMVUUMBHPNZEOQ-IBGZPJMESA-N 388.439 3.544 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc2[nH]c3ccccc3n12 6476388 MJQUTFUOHWICPR-UHFFFAOYSA-N 387.852 3.603 0 40 GHAB Cc1cccc(OCC(=O)OCC(=O)NCC23CC4CC(CC(C4)C2)C3)c1C 6463165 KMYCZKZMEQQFPP-UHFFFAOYSA-N 385.504 3.558 0 40 GHAB Cc1ccc(C2=N/C(=C\c3cc4c(cc3Br)OCO4)C(=O)O2)cc1 4696735 ULDQFRMWGKLMCX-NSIKDUERSA-N 386.201 3.831 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)Nc3cccc4cccnc34)CC2=O)cc1 6649439 RLZRSTQJFGNGPH-MRXNPFEDSA-N 375.428 3.625 0 40 GHAB Cc1cc(C2=NN=C(NC[C@@H]3CCCO3)SC2)c(C)n1CCc1ccccc1 6602721 OXRSDQUXSSPOFO-IBGZPJMESA-N 396.560 3.923 0 40 GHAB O=C(COc1ccc(-c2nnco2)cc1)Nc1ccc(N2CCCCC2)cc1 5689537 LGBPUUIYQCLTDI-UHFFFAOYSA-N 378.432 3.744 0 40 GHAB Cn1c(SCc2nc3ccccc3o2)nnc1[C@@H]1COc2ccccc2O1 6851458 BBRSXNIZJYMCKB-INIZCTEOSA-N 380.429 3.761 0 40 GHAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cccc(Oc3ccccc3)c2)c1 6839420 HTRUTFKEBBYRGA-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 4943288 OLINJPYEAKUUSE-JTQLQIEISA-N 378.881 3.785 0 40 GHAB Cc1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc3c2cnn3C)cc1 9273267 YGVHNYPYESVJDU-UHFFFAOYSA-N 399.502 3.742 0 40 GHAB COc1ccccc1[C@](N)(C(=O)NCC(C)(C)c1ccccc1)C(F)(F)F 96007098 GJEWTAHVXNDDLY-IBGZPJMESA-N 380.410 3.506 0 40 GHAB CCOC(=O)CCN(Cc1cccnc1)Cc1ccc(Br)c(F)c1 96007146 MUZWFMHDDBYMCO-UHFFFAOYSA-N 395.272 3.939 0 40 GHAB COCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1ccc(F)cc1 15831407 XHTRNXIAJHQJMJ-IBGZPJMESA-N 381.403 3.741 0 40 GHAB CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4cccs4)n3)cc21 19796497 GNZDSRJXSBTIMH-UHFFFAOYSA-N 385.470 3.869 0 40 GHAB CCCNC(=O)[C@@H](C)OC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 7633056 ICPXEINCQMEMCB-OAHLLOKOSA-N 393.439 3.840 0 40 GHAB S=c1n(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2n1CCCCC2 7814500 XINFHEFYIVLUBB-INIZCTEOSA-N 386.521 3.706 0 40 GHAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc2c(c1)OCO2 7909645 UPSLYZFXXGENEL-OAHLLOKOSA-N 381.457 3.801 0 40 GHAB COc1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 28498156 OOQBNJOUJSYRJK-UHFFFAOYSA-N 379.787 3.846 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1c2ccccc2CC[C@H]1C 7906488 UESDDMNMZHWFDK-CQSZACIVSA-N 385.895 3.544 0 40 GHAB C[C@H](CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 8193350 IXRYRQHRSUIURV-QGZVFWFLSA-N 386.517 3.994 0 40 GHAB O=Cc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 408650760 BOOMCUAZBVXMKD-GFCCVEGCSA-N 378.211 3.764 0 40 GHAB CCc1cccc2c(C(=O)COc3cc(C(=O)OC)cc(C(=O)OC)c3)c[nH]c12 8346271 VDSVXKLBIPPEMY-UHFFFAOYSA-N 395.411 3.565 0 40 GHAB O=c1c(-c2ccccc2)nnc2sc(-c3ccccc3Br)nn12 8393667 KIIXDOAVVHRCFW-UHFFFAOYSA-N 385.246 3.643 0 40 GHAB O=C(NCCCn1ccc2ccccc21)c1ccc(CN2CCCC2=O)cc1 8342642 MUNJAWAFDHNIKU-UHFFFAOYSA-N 375.472 3.584 0 40 GHAB Cc1ccccc1-n1c(=O)c2sccc2n(Cc2cc(F)ccc2F)c1=O 67258078 TURQXDOMQPZTII-UHFFFAOYSA-N 384.407 3.849 0 40 GHAB CCc1nnc(SCC(=O)Nc2cc(Cl)ccc2O)n1-c1ccccc1 9615087 FGNGTGRBRMDKBX-UHFFFAOYSA-N 388.880 3.920 0 40 GHAB Cc1ccc(-c2nc(CN(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cs2)o1 96765398 ZAZHOXRRYUPDJV-ZDUSSCGKSA-N 391.518 3.552 0 40 GHAB CN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc2ncccc2c1 72272830 GQBSNAMFFUOHNT-UHFFFAOYSA-N 398.260 3.594 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)cc1N 78999583 YEWVMOMMDBFBQZ-UHFFFAOYSA-N 392.411 3.865 0 40 GHAB CC(C)[C@H](C(=O)N1CCc2ccc(O)cc2C1)n1cnc2cc(F)c(F)cc21 95392565 ALJVJRIUTIHYGL-HXUWFJFHSA-N 385.414 3.802 0 40 GHAB CC(C)(C)OC(=O)N1CC(CNC(=O)CCc2cccc(Cl)c2Cl)C1 95447493 NDBJGWKDANRTLT-UHFFFAOYSA-N 387.307 3.909 0 40 GHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 113954738 VKYFAFVXHIIOQH-LJQANCHMSA-N 381.520 3.770 0 40 GHAB O=C(Nc1cccc(Cl)c1)N1C[C@@H]2Cc3cnc(NCC4CC4)nc3[C@H]2C1 306141252 VPXIHCBZYOLLEO-YOEHRIQHSA-N 383.883 3.756 0 40 GHAB COc1cccc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2cccs2)c1 306139701 TXYROJXOXSRKAE-RTWAWAEBSA-N 393.512 3.640 0 40 GHAB CN1CC[C@](O)(CN[C@@H](c2sccc2Br)C2CCCCC2)C1 556573026 MHJBGWCKQQJQMY-WBVHZDCISA-N 387.387 3.788 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 408558928 KNTYBPTZYOYSKI-MRXNPFEDSA-N 396.468 3.784 0 40 GHAB CCC(CC)(CO)CNC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O 512639468 GWHUTCZITPJPBU-UHFFFAOYSA-N 392.499 3.578 0 40 GHAB Cc1ccc2c(SCC(=O)N3CCOCC3)nc(-c3ccc(F)cc3)nc2c1 35311606 DFEAVRQLALAVRG-UHFFFAOYSA-N 397.475 3.695 0 40 GHAB CC(C)c1noc(COC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)n1 36692742 ZEWRZAJCUKPMFB-IAGOWNOFSA-N 397.475 3.632 0 40 GHAB CN(C(=O)Cn1ccc(C(F)(F)F)n1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 1535080177 JXRKEDZDQIODKV-JKSUJKDBSA-N 381.398 3.606 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 216285152 UXJBXCSFXZIRFT-RDTXWAMCSA-N 394.924 3.762 0 40 GHAB CC[C@@H](C(=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1)c1ccccc1 70637581 ALSOQGADWNRDOJ-OAQYLSRUSA-N 386.499 3.986 0 40 GHAB COc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)n[nH]3)C2)c1 72371182 OWGHQCOLCQKPJX-SFHVURJKSA-N 396.535 3.860 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=S)Nc2ccc(C)cc2F)cc1 71326099 CXFLZHPHHBFPQE-UHFFFAOYSA-N 395.525 3.974 0 40 GHAB COc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(=O)s2)cc1OC 1565524186 AENJXMZIXRHYKV-UHFFFAOYSA-N 394.452 3.690 0 40 GHAB COc1cccc2cc(C(=O)N3CC(c4nc(-c5cccs5)no4)C3)oc12 49483934 SGZQNYOGPBSEDM-UHFFFAOYSA-N 381.413 3.793 0 40 GHAB Cc1nc(C)c([C@@H](C)N(C)C(=O)C2CCN(C(=O)OCC(C)C)CC2)s1 78609444 SZQYWSDCULMPQW-CQSZACIVSA-N 381.542 3.784 0 40 GHAB O=C(NCC1CCN(C2CCOCC2)CC1)c1ccc(-c2ccccc2)cc1 225563331 XAXQJMDQQHLFKK-UHFFFAOYSA-N 378.516 3.974 0 40 GHAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225718442 MLHZZIYALDPEMF-AWEZNQCLSA-N 390.530 3.992 0 40 GHAB COc1cc(OC)cc(N2C(=O)C[C@@H](c3ccccc3)c3sc(=O)n(C)c32)c1 49546826 QUSWOTIJQUTSTH-KRWDZBQOSA-N 396.468 3.664 0 40 GHAB O=C(COc1ccccc1)Nc1nn2c(-c3cccc(Cl)c3)nnc2s1 41076554 BHJQLPKBHCRUOI-UHFFFAOYSA-N 385.836 3.524 0 40 GHAB O=C(NC[C@@]1(O)CCOc2ccccc21)C1(c2ccc(Cl)cc2)CCCC1 77099965 HJQGVZNPRZTQFC-QFIPXVFZSA-N 385.891 3.938 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc(C)cc1 223877442 BIQWKRHQJXSFJE-QGZVFWFLSA-N 381.881 3.865 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl 225440865 PASSFTWTYRTYNX-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 223680964 PWVXEWTWBOCIGD-LJQANCHMSA-N 382.504 3.544 0 40 GHAB COC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 224920450 VFXIATOVDLRFRI-UHFFFAOYSA-N 392.235 3.501 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C 224125135 DCTMMHIIOSOMKT-FQEVSTJZSA-N 382.504 3.626 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 225364550 FUCWTSVCSJGWPT-JOCHJYFZSA-N 396.531 3.961 0 40 GHAB Cc1ccccc1N(CCCC(=O)NCCC1=CCCCC1)S(C)(=O)=O 222554037 BVJOGTQAXPXAAA-UHFFFAOYSA-N 378.538 3.548 0 40 GHAB CCOc1ccccc1NC(=S)NCc1ccccc1CN1CCCC1=O 225651640 HPPRVMDBJHQJQG-UHFFFAOYSA-N 383.517 3.694 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(CN2CCOCC2)cc1 224572444 RYHXDUKEWXWZOW-HSZRJFAPSA-N 396.531 3.609 0 40 GHAB CN(C(=O)Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 225979377 WTVTUXCTIWWTCV-UHFFFAOYSA-N 394.496 3.717 0 40 GHAB COc1cccc(C(=O)NCc2nn(C3CCCC3)c3c2CCCC3)c1OC 96103952 XCFXXNXSJROWOK-UHFFFAOYSA-N 383.492 3.824 0 40 GHAB O=C(c1cccnc1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 96038184 ONDYKCZKISLVPR-UHFFFAOYSA-N 383.455 3.811 0 40 GHAB C[C@@H](O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C 98091495 LMRQPSBMLDCJGN-JLTOFOAXSA-N 397.471 3.616 0 40 GHAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)c2ccc(Cl)cc2)C3)cc1 96112849 PJICNPAJBHVTAX-SFHVURJKSA-N 397.862 3.541 0 40 GHAB biogenic,in-vitro CC(C)NC(=O)N1CCC[C@H]1c1nnn2cc(NCc3ccccc3)ccc12 96267935 CRTOJYSIYVHKAO-SFHVURJKSA-N 378.480 3.596 0 40 GHAB CC(C)(CC(=O)N1CC[C@H](C(=O)N2CCCC2)C1)Cc1ccc(Cl)cc1 585082851 XWGKPWHVIOTIQM-KRWDZBQOSA-N 376.928 3.770 0 40 GHAB O=S(=O)(O)c1ccc(/C=C/n2nc3ccc(-c4ccccc4)cc3n2)cc1 255187651 FWWIBZOPZZXBFA-OUKQBFOZSA-N 377.425 3.973 0 40 GHAB COc1ccccc1Cc1cc(C(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)ccn1 257317730 VKXMVYDYZLBEHJ-UPVQGACJSA-N 393.531 3.770 0 40 GHAB Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257253777 KAGIHOBPNHNMHR-QGZVFWFLSA-N 381.476 3.902 0 40 GHAB COc1cccc(C(=O)NCc2ccc([C@H](O)c3cccs3)s2)c1OC 90613588 YJXNTAWZRUQDOX-QGZVFWFLSA-N 389.498 3.839 0 40 GHAB CCc1ccc2oc(=O)cc(CN3CCN(c4ccccc4OC)CC3)c2c1 54219975 NSSRPVKMWCMFPL-UHFFFAOYSA-N 378.472 3.686 0 40 GHAB biogenic CCSc1ccccc1C(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390831363 RLABVLVWFJIKOK-LJQANCHMSA-N 389.542 3.801 0 40 GHAB Cc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)CCc2ccccc2)cc1 866239 AAEHLGZFFSXLQW-IBGZPJMESA-N 376.378 3.924 0 40 GHAB C=CCc1cc(/C=C2/NC(=O)N(C)C2=O)cc(OC)c1OCc1ccccc1 8091547 KZLDKYNERNJUTQ-LDADJPATSA-N 378.428 3.525 0 40 GHAB COc1ccc(C(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)cc1OC 5626042 PMIWVYPJYMKUIE-UHFFFAOYSA-N 379.460 3.908 0 40 GHAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 5867262 PZSOMZACBKWUNM-CYBMUJFWSA-N 396.472 3.671 0 40 GHAB C[C@@H](CNC(=O)C1CCN(c2nc3ccccc3n2C)CC1)c1ccccc1 12116354 AFQPWKVSGWUZPF-KRWDZBQOSA-N 376.504 3.710 0 40 GHAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)on1 12118382 IAJHRWIYWGNJPE-AWEZNQCLSA-N 381.411 3.991 0 40 GHAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2ccncc2)cc1 12145575 XXPAILZUGLDSOW-IBGZPJMESA-N 376.460 3.719 0 40 GHAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)CCC4)CC1)O2 12330219 XEBGHOWCYQJQCG-XZOQPEGZSA-N 393.527 3.868 0 40 GHAB O=C(Cc1ccccc1Cl)N1CCC(c2noc(-c3ccccn3)n2)CC1 12668592 PIKWVGUMTYQYRS-UHFFFAOYSA-N 382.851 3.734 0 40 GHAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)[C@H](C)c3ccccc3)CC2)on1 13226246 IBKLCIZAYPOALL-OAHLLOKOSA-N 392.459 3.655 0 40 GHAB Cc1cc(OCC(=O)c2ccccc2)ccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 13856552 BAZQIEZAPXIYPD-YVCBRDFCSA-N 389.451 3.792 0 40 GHAB Cc1ccc(C(=O)NC(=S)/N=c2\[nH]c3ccc(O)cc3s2)c(Cl)c1 17077304 XCTPDXLHGLHTPY-UHFFFAOYSA-N 377.878 3.512 0 40 GHAB CC(C)[C@H](NC(=O)c1cc(O)nc2ccccc12)c1ccc2c(c1)OCCO2 17368059 XYHGVHUTADEMJY-NRFANRHFSA-N 378.428 3.839 0 40 GHAB COc1ccc(CCC(=O)N2CCCC[C@H]2c2ccnc3cc(C)nn23)cc1 19130575 NBTYCRKNLUMQKM-IBGZPJMESA-N 378.476 3.733 0 40 GHAB COc1cccc([C@H](NC(=O)c2cc3c(F)cccc3[nH]2)c2nccn2C)c1 19291236 KPGBDBVFSPPEMM-IBGZPJMESA-N 378.407 3.569 0 40 GHAB Cc1cc(C(=O)N[C@H](Cc2cc(=O)[nH]c(C3CC3)n2)c2ccc(F)cc2)cs1 19571967 NBIBZRVCLNPMAN-GOSISDBHSA-N 397.475 3.870 0 40 GHAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CC2)C1 19579656 IUANGKUGSCYPBJ-DEOSSOPVSA-N 376.500 3.613 0 40 GHAB CN(C)c1cc(C2CCN(C(=O)C3CCCC3)CC2)nc(-c2cccnc2)n1 19584455 XDSSRSCEPWWEIW-UHFFFAOYSA-N 379.508 3.501 0 40 GHAB COC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(OC)c(OC)c1 4246503 PLSSSURBQYGBCE-ZDUSSCGKSA-N 399.472 3.605 0 40 GHAB CNc1ccccc1C(=O)OCc1nc(-c2cccc(Br)c2)no1 22987934 NIWDWUUXJKKCAL-UHFFFAOYSA-N 388.221 3.898 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc(C3CC3)on2)c1 24808881 NEACVGUBZUATEN-UHFFFAOYSA-N 397.456 3.629 0 40 GHAB CCN(CC)CCNc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 779516 OHJRQWAPURIHBO-UHFFFAOYSA-N 385.537 3.845 0 40 GHAB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)cc1C 2456841 BLMPQZDBKSOXPN-MHZLTWQESA-N 383.448 3.643 0 40 GHAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1nc(C2CC2)cs1 2601092 SZXBGJLUVVRHNN-UHFFFAOYSA-N 383.473 3.816 0 40 GHAB COc1ccc(-c2nnc(NC(=O)CSc3ccc(F)cc3)o2)c(OC)c1 4496785 CERHPBSQNTXKSF-UHFFFAOYSA-N 389.408 3.624 0 40 GHAB COc1ccc(-c2nnc(NC(=O)CSc3ccc(C)cc3)o2)cc1OC 5372599 RKXBDEKGLSLZSQ-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccccc1Cl 11027640 FNWBKQPQJFGNOB-OAHLLOKOSA-N 392.908 3.912 0 40 GHAB CC(C)c1nn(CC(=O)c2ccccc2)c(=O)c2c1cnn2-c1ccc(F)cc1 12229016 ZGQIKHZSBURAKS-UHFFFAOYSA-N 390.418 3.728 0 40 GHAB CC(C)(C)c1ccc(OCC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)nn1 1775966171 XDAVINFJJYAOMA-UHFFFAOYSA-N 393.491 3.582 0 40 GHAB COC(=O)[C@H](C)Sc1nnc(NC(=O)C2(c3cccs3)CCCC2)s1 43939679 XGYNXLJSDGZMML-JTQLQIEISA-N 397.547 3.704 0 40 GHAB COc1ccc2cc(CNC(=O)NCc3ccccc3CN(C)C)ccc2c1 10466162 ZSMOCOHTBHVTPK-UHFFFAOYSA-N 377.488 3.909 0 40 GHAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc(=O)[nH]c2ccccc12 40094196 QQHXHNAXBVZYGV-UHFFFAOYSA-N 389.386 3.785 0 40 GHAB COC(=O)c1cc(NC(=O)CCc2c(C)nc(SC)nc2C)ccc1Cl 31057090 GNBVWVDYVDRHMT-UHFFFAOYSA-N 393.896 3.827 0 40 GHAB Cc1ccc(SCCNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 32593315 USUMZCHDLPFTPV-UHFFFAOYSA-N 396.468 3.943 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)NC[C@@H](c1ccccc1Cl)N1CCOCC1 29804598 GWEXTDQKDYTFRX-NRFANRHFSA-N 397.906 3.554 0 40 GHAB CC(C)NC(=O)NCc1ccc(C(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1 29885065 WYAHIKCPLHHICR-HNAYVOBHSA-N 383.492 3.883 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1 1361155 FFDGUGFIIQTBFG-UHFFFAOYSA-N 388.468 3.935 0 40 GHAB NC(=O)[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 12051048 PNFDWVFFVFOTJM-CYBMUJFWSA-N 390.283 3.681 0 40 GHAB COc1ccc([C@]2(O)OC[C@@H](COc3cc(C)c(Cl)c(C)c3)O2)cc1OC 1588982 COZRYDWWARSBAZ-UZLBHIALSA-N 394.851 3.571 0 40 GHAB COC(=O)/C=C/c1ccc2c(c1)CC1(C2)Cc2ccc(/C=C/C(=O)OC)cc2C1 1855631 UFAVLSDSJVPSIE-NXZHAISVSA-N 388.463 3.943 0 40 GHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccsc1 21558222 LATRQVNQFMCPHD-INIZCTEOSA-N 396.965 3.912 0 40 GHAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)OC/C=C/c1ccccc1)C2=O 32828213 ARIIRLDNVRCYCK-JXMROGBWSA-N 398.503 3.770 0 40 GHAB O=C(NCCc1cccc2ccccc12)N1CCN(c2ccccc2O)CC1 46775615 YGKXPPWQGLVGMY-UHFFFAOYSA-N 375.472 3.620 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 6561395 FGHRROMNLSQASQ-SFHVURJKSA-N 397.456 3.868 0 40 GHAB Cc1ccnc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3C)c2)c1 6681768 OCCNDUBBFHKULE-UHFFFAOYSA-N 387.486 3.813 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 6946343 UPJLKVPUJNSMLK-SFHVURJKSA-N 388.533 3.804 0 40 GHAB Cc1ccccc1CN1CCC(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 9062549 LQQVXGPYXWRNTF-BGYRXZFFSA-N 385.596 3.691 0 40 GHAB CN1CCN(CC[C@@H]2CCCCN2C(=S)Nc2ccccc2Cl)CC1 22935549 QXZMQQYYJKOGFS-INIZCTEOSA-N 380.989 3.529 0 40 GHAB COc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4nc(C)cc(C)n4)c3C2)cc1OC 9936311 PZWQGZPVTGIZJQ-INIZCTEOSA-N 392.459 3.517 0 40 GHAB O=C(CCSc1nnnn1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 942217 QTSBZDRUOQQJGC-UHFFFAOYSA-N 393.394 3.802 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 955504 JDIAPPBXBHSJJG-JXMROGBWSA-N 379.334 3.909 0 40 GHAB O[C@H](COCc1ccccc1Cl)CN1CCN(c2cccc(Cl)c2)CC1 12550709 LFEJJQIUHCQEEP-IBGZPJMESA-N 395.330 3.693 0 40 GHAB Cc1nc(-c2ccco2)nc2sc(C(=O)N[C@@H](C)Cn3cccn3)c(C)c12 24804693 DCWHMZGMSGWKSP-NSHDSACASA-N 381.461 3.583 0 40 GHAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@H](C)CCc1ccc(O)cc1 47988065 XXQFEVSEPLDNDU-OAHLLOKOSA-N 381.476 3.736 0 40 GHAB COc1ccc(-n2cnnc2SCC(=O)Nc2cccc3ncccc23)cc1 25400618 DMJLPDOINNKKFF-UHFFFAOYSA-N 391.456 3.555 0 40 GHAB COc1ccc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc1OCc1ccccc1 3265781 SMXZCZMQDQEGHU-OAQYLSRUSA-N 399.454 3.720 0 40 GHAB CN(C)c1cccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)c1 12632601 OJKMAHLEIGEHOO-UHFFFAOYSA-N 392.499 3.992 0 40 GHAB CCCCOc1ccc2cc(C(=O)NCc3nncn3-c3ccccc3)[nH]c2c1 48115992 RFYRSOOEDVVHGK-UHFFFAOYSA-N 389.459 3.858 0 40 GHAB COC(=O)c1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 2159250 WOINFXSCELYFEA-KHMHUBCMSA-N 376.456 3.500 0 40 GHAB biogenic c1ccc2c(c1)CCO[C@@H]2CNCCCCCNC[C@@H]1OCCc2ccccc21 2102017 NEHYCGHZQBAVCX-PLQXJYEYSA-N 394.559 3.964 0 40 GHAB biogenic COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20495021 RSHWVUWMWCTDOH-GOSISDBHSA-N 398.503 3.784 0 40 GHAB COCCOC(=O)c1c(N)n(-c2ccc(C)cc2C)c2nc3ccccc3nc12 2225423 VYTXVQXTXPZWIX-UHFFFAOYSA-N 390.443 3.576 0 40 GHAB Oc1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc2ccsc12 36385494 XMPPHSMYQRQYRM-OAHLLOKOSA-N 383.473 3.895 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](c3ccccc3)C(C)C)ccc21 12778860 BEOKBHRKQRLTSA-OAQYLSRUSA-N 386.517 3.661 0 40 GHAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc(OC(F)(F)F)cc1 11241626 HBLAPWGYFCJSTK-UHFFFAOYSA-N 388.292 3.622 0 40 GHAB CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 2407723 PAQGDGNMPSLTBH-GOSISDBHSA-N 382.847 3.553 0 40 GHAB COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1COc1ccccc1Cl 2472495 JCMVSVKBDLONRR-PBHICJAKSA-N 379.865 3.716 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)cc2)C1=O 409011665 OBUWKWYNUGSDCN-NGTWCYAPSA-N 377.462 3.852 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CCCN(c3cnccn3)C2)cc1 45714666 HXPTXMZAWDXTTI-PZJWPPBQSA-N 394.519 3.846 0 40 GHAB NC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)cc1 3473048 CKLKGZLHMFMVRV-UHFFFAOYSA-N 387.461 3.779 0 40 GHAB Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 8120884 VUTDZMUYJRVSPL-MGPUTAFESA-N 383.492 3.563 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2F)sc(C(C)=O)c1C 3640192 LUMAQQUZTPCNQV-LBPRGKRZSA-N 393.436 3.981 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)c1 13011836 RJMOZSZAIYRTJJ-NYYWCZLTSA-N 398.846 3.671 0 40 GHAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 8274633 FRRLAHVZEKXVBK-UHFFFAOYSA-N 386.498 3.787 0 40 GHAB FC(F)(F)c1ccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)nc1 63255545 YKRQHHASSHEXIQ-UHFFFAOYSA-N 380.366 3.989 0 40 GHAB Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)s1 49273368 UMQMOVOMUALWJN-UHFFFAOYSA-N 383.300 3.962 0 40 GHAB COc1ccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccccc2)CC(=O)N3)c(OC)c1 49543404 ZSDCCHJXXUVBPA-OAHLLOKOSA-N 392.411 3.667 0 40 GHAB biogenic O=C(NCCc1cc2ccc(F)cc2[nH]c1=O)c1ccc(C(F)(F)F)cc1 49597383 UZJGFFLSCZPQMG-UHFFFAOYSA-N 378.325 3.659 0 40 GHAB Cc1ccc(Nc2nc(NCCN(C)C)nc3c2cnn3-c2ccccc2)cc1 17042486 JYVWVNWBIWYLRK-UHFFFAOYSA-N 387.491 3.841 0 40 GHAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(F)c3)[C@H]2C(=O)N1c1ccccc1 13803815 BYXOTOJBGXHDNU-QHAWAJNXSA-N 388.398 3.877 0 40 GHAB Cc1nn([C@@H](C)CCNC(=O)c2nc(-c3ccc(F)cc3)no2)c(C)c1Cl 13961563 JMJZVTIPNIMSLI-JTQLQIEISA-N 391.834 3.724 0 40 GHAB CCCCCNC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944724 ZHUXQOXUAPADBK-HNNXBMFYSA-N 375.900 3.519 0 40 GHAB COc1cc(SC)ccc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 14241232 LTYLLCRDGUJNSC-RMKNXTFCSA-N 382.529 3.888 0 40 GHAB Cc1nn([C@H](C)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1Br 6527469 ZGXUDYHPBVJMQE-QLFDAEIZSA-N 380.330 3.848 0 40 GHAB CCc1cccc2c(C(=O)COC(=O)CNC(=O)c3ccccc3Cl)c[nH]c12 6619975 UGIBEVPLKUXVHB-UHFFFAOYSA-N 398.846 3.540 0 40 GHAB CCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@]12C(=O)N(C)c1ccccc12 6624478 MLUXWFCUSVYHFD-JOCHJYFZSA-N 393.874 3.836 0 40 GHAB biogenic CCCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1cccc(C)c1)S2 6812165 UQEUXTQLMDACJK-RBUKOAKNSA-N 393.516 3.937 0 40 GHAB O=C(Nc1ccccc1N1CCCCC1)C1=NN(c2ccccc2)C(=O)CC1 6820992 UZHZLIZKFCYVMH-UHFFFAOYSA-N 376.460 3.798 0 40 GHAB COc1cccc(-n2nnc(C(=O)NCc3cccc(C)c3)c2-c2ccncc2)c1 67261808 XPCRYACSRNPMGG-UHFFFAOYSA-N 399.454 3.576 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N(CCc1ccccc1)Cc1cccs1 7291225 LEZJISNJEOXJON-UHFFFAOYSA-N 392.480 3.928 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccccc1 20634745 BKGSDNFWHOJGLJ-SFHVURJKSA-N 378.428 3.515 0 40 GHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)Cn1ccc(C(F)(F)F)n1 68682921 KFWXVXBTXOTVIO-UHFFFAOYSA-N 387.383 3.656 0 40 GHAB Cc1noc(N)c1C(=O)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 16326636 PZDVSJHIAQAAIO-IBGZPJMESA-N 375.384 3.828 0 40 GHAB CSc1ncc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)n1-c1ccccc1 7985166 RAWYZHAABXRBBK-KRWDZBQOSA-N 396.516 3.754 0 40 GHAB CCCCSc1nnc(NC(=O)CCn2c(=O)sc3ccccc32)s1 9061697 XIKGCCIMFGMXQW-UHFFFAOYSA-N 394.547 3.836 0 40 GHAB COc1ccc([C@H](NC(=O)Cc2c(F)cccc2Cl)c2nccn2C)cc1 9154143 BVKWJXYQKCEXKS-IBGZPJMESA-N 387.842 3.670 0 40 GHAB Cc1ccc(OCCCOc2cccc(NC(=O)CN3CCCC3=O)c2)cc1C 72235947 PVAGLZPLIMJTFI-UHFFFAOYSA-N 396.487 3.712 0 40 GHAB COc1ccc(-c2cc3ncnc(NCC(=O)NCc4ccco4)c3s2)cc1 9465815 ISAMPUQKHRTWJV-UHFFFAOYSA-N 394.456 3.688 0 40 GHAB CCOc1ccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)cc1 19911198 VMSBEBOIVJHEGH-UHFFFAOYSA-N 388.374 3.828 0 40 GHAB CC(=O)Nc1ccc(Sc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 97577854 GFSIBOQCIWSVLN-UHFFFAOYSA-N 377.429 3.631 0 40 GHAB O=C(Nc1ccc(CN2CCOC2=O)cc1)c1cc(-c2ccccc2F)on1 84514446 IVNMZULQQPRXMZ-UHFFFAOYSA-N 381.363 3.685 0 40 GHAB CC(C)Cc1ccc(S(=O)(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)cc1 79105723 AKDPHSIAUYLZSK-FXAWDEMLSA-N 375.534 3.718 0 40 GHAB C[C@H](O)CNCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 22075071 NUXWDIPHPMNJIV-AWEZNQCLSA-N 383.319 3.632 0 40 GHAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)N[C@H]2c3ccccc3C[C@H]2O)c1 95408265 GQADTZFTLRCKKI-CTNGQTDRSA-N 376.460 3.577 0 40 GHAB COc1ccc(CN(C(=O)[C@H]2CCn3c(cnc3C(F)(F)F)C2)C2CC2)cc1 95993052 SBWDMYWONNSWMT-AWEZNQCLSA-N 393.409 3.664 0 40 GHAB CCOC(=O)C1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@](O)(C(C)(C)C)C1 408977309 VHHSTUCRTITFPC-HSZRJFAPSA-N 394.471 3.853 0 40 GHAB Fc1ccc(CN2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)cc1 306130279 JAZYVXHMECTDHI-UHFFFAOYSA-N 388.450 3.865 0 40 GHAB O=C(c1ccccc1F)N1CC[C@]2(C1)Cn1c(-c3ccsc3)cnc1CO2 306126292 DRWKHASDKRDLFL-FQEVSTJZSA-N 383.448 3.566 0 40 GHAB CCN(c1ccc(O)cc1)S(=O)(=O)c1cc(Cl)ccc1OCCCOC 509384368 LQHIVJDFMISMLQ-UHFFFAOYSA-N 399.896 3.676 0 40 GHAB Cc1cccc(-c2nnc3n2C[C@H](C(=O)NC[C@@H]2[C@H]4Cc5ccccc5[C@@H]42)CC3)c1 516393299 WLMOBBWMBLIXIS-LPOZWGFCSA-N 398.510 3.518 0 40 GHAB Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3Cl)c2C)c1C 71327171 QMJIUJOUHGBIGB-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB COC(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 70635431 KUHHOIODUYZMJK-KRWDZBQOSA-N 393.361 3.706 0 40 GHAB Cc1cc(-c2nnc(NC(=O)C3(c4ccccc4)CCOCC3)o2)nn1C(C)C 70653063 KAOSARKXHXDKBD-UHFFFAOYSA-N 395.463 3.509 0 40 GHAB CCCCCCNC(=O)CS(=O)(=O)Cc1csc(-c2ccc(F)cc2)n1 32929873 XFOXNHRPCZDILN-UHFFFAOYSA-N 398.525 3.561 0 40 GHAB Cc1nnc2c(SCC(=O)NCc3ccc(Cl)cc3)nc3ccccc3n12 64949037 FKJTVVWTOVMSQX-UHFFFAOYSA-N 397.891 3.648 0 40 GHAB CCN(CC)C(=O)CN1CCC[C@@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)n1 72372474 MQRWEZXPHUOSEE-HXUWFJFHSA-N 396.539 3.546 0 40 GHAB O=C(CSc1cc(N2CCCCC2)ncn1)Nc1ccc(F)c(Cl)c1 36708492 MLDRCBBKJYQHRA-UHFFFAOYSA-N 380.876 3.990 0 40 GHAB Cc1cc(CN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)c(C)s1 72340530 JEQZFBFHNAGGQO-OAQYLSRUSA-N 396.560 3.502 0 40 GHAB Cc1cc(N2CCOCC2)ncc1[C@H]1CCCN1C(=O)OCc1ccccc1 72219396 XFJFJBYLEBWBTA-HXUWFJFHSA-N 381.476 3.700 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3cnc(-c4cccc(F)c4)nc3)CC2)c1C 222626674 LJIRPYAOOMCCNG-UHFFFAOYSA-N 390.462 3.862 0 40 GHAB COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c1 573412303 IPFAZNRQAKJSCU-UHFFFAOYSA-N 380.775 3.701 0 40 GHAB Cc1cccc(CN(C(=O)Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)c1 224175114 DNAMCYSDLIXZHJ-GOSISDBHSA-N 384.495 3.866 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224227094 XZAQBXWJAYCKKX-CYBMUJFWSA-N 380.897 3.693 0 40 GHAB O=C(Cc1ccc(Br)cc1)NCc1ccc(-c2cccnc2)nc1 225765204 RUFCRVJCJFSTGL-UHFFFAOYSA-N 382.261 3.765 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(F)cc1 223539044 LNYQYTBJJWIFQX-INIZCTEOSA-N 388.508 3.612 0 40 GHAB CC(C)Oc1cccc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1 220100418 KXWUZLCDKYSESA-UHFFFAOYSA-N 396.896 3.532 0 40 GHAB Cc1ccccc1CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C 224314773 GSTVPFRRQUENSI-SFHVURJKSA-N 384.495 3.866 0 40 GHAB COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223493984 LSDYLJAJBRIHAN-INIZCTEOSA-N 375.490 3.746 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 224169397 HQCNASQBSGEKAI-OAQYLSRUSA-N 396.531 3.934 0 40 GHAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 223990078 QUGKIQZJULLYMW-QFIPXVFZSA-N 396.531 3.961 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 223726326 RGCYQDAYSUCSHC-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OC2CCOCC2)nc1 225711375 AJCDHKAMIQKXBH-UHFFFAOYSA-N 382.338 3.790 0 40 GHAB O=C(NCc1ccccc1)c1ccnc(Cn2ccc(-c3ccccc3)cc2=O)c1 98175304 MLRQKHRRSKGGHE-UHFFFAOYSA-N 395.462 3.889 0 40 GHAB CC(C)n1ccc2c(NC(=O)CCNc3nc(Cl)nc4[nH]cnc34)cccc21 95472998 HJPOTQAGEOHWSH-UHFFFAOYSA-N 397.870 3.983 0 40 GHAB COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 253490607 JKXQEBJVZBCFGF-BWIHISFJSA-N 390.520 3.929 0 40 GHAB Cc1ccc2c(c1)OC1(CCN(C(=O)c3cncs3)CC1)[C@H]1CCCO[C@H]21 257256515 KLURPKXHVIEGOF-QFBILLFUSA-N 384.501 3.987 0 40 GHAB Cc1nn(C)c(OC[C@@H]2CCCCO2)c1C(=O)NCC1CC(c2ccccc2)C1 585080573 WMRUNCGXPCTYHD-UUKMXZOPSA-N 397.519 3.600 0 40 GHAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 260841301 MNCXCUGFYPSIKB-JXFKEZNVSA-N 388.533 3.671 0 40 GHAB O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)c1ccc2c(c1)OCCCO2 617116351 CUIZINHWUNTMLR-OAHLLOKOSA-N 386.879 3.758 0 40 GHAB O=C(c1cc(-c2ccc3ccccc3c2)[nH]n1)N1CCC[C@H](n2ccnn2)CC1 636193442 RTDJKIFGQUBEGT-IBGZPJMESA-N 386.459 3.689 0 40 GHAB O=C(NCc1ccc(CN2CCC(O)CC2)cc1)Nc1ccc2ccccc2n1 640525776 ZORIKWKWDVIZRL-UHFFFAOYSA-N 390.487 3.513 0 40 GHAB COc1ccc2c(c1)[C@H](C(=O)N[C@H](CCC(=O)O)Cc1ccccc1)CCC2 655540826 NMCDLILWJAMUGL-UYAOXDASSA-N 381.472 3.707 0 40 GHAB C[C@]1(Cn2cccn2)NC(=O)N(c2ccc(Oc3ccccc3Cl)cc2)C1=O 1615613436 VMPUTHLIORGHMZ-HXUWFJFHSA-N 396.834 3.844 0 40 GHAB Cc1cc(C)c2nc(O)c(CNC[C@@H](O)COc3c(C)cccc3C)cc2c1 585283069 BGXPAOGDYIRHBE-HXUWFJFHSA-N 380.488 3.704 0 40 GHAB Cc1cc(Oc2ccc(CN(C)C(=O)c3ncn(C)n3)c(Cl)c2)ccc1F 1610897417 UDZXAKIIUOXBCM-UHFFFAOYSA-N 388.830 3.981 0 40 GHAB O=C1C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(Br)cc21 5031939 BZCAWZPZXPYFSL-UHFFFAOYSA-N 380.625 3.711 0 40 GHAB O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(I)cc1 5636764 BOSIZHBUFLIOAI-NTEUORMPSA-N 393.155 3.775 0 40 GHAB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 5713055 GETMFGBILQLNNJ-SDNWHVSQSA-N 386.860 3.570 0 40 GHAB Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 12088005 BFEDXULYRXIXHM-QGZVFWFLSA-N 389.455 3.608 0 40 GHAB Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NC3CCCCCCC3)n2)s1 12181638 ROGXPCYCUCAMAO-AWEZNQCLSA-N 388.537 3.653 0 40 GHAB COc1ccc([C@@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1 12292473 SBNWZUGLFDAPCK-IBGZPJMESA-N 395.421 3.731 0 40 GHAB O=C(COc1ccc(C2SCCS2)cc1)NCc1ccc(C(=O)O)cc1 13317177 FFAGCNYNZZCVCQ-UHFFFAOYSA-N 389.498 3.559 0 40 GHAB CCOc1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCCO4)c(OCC)c1 13561596 HKBQJQDEKXQBCT-UHFFFAOYSA-N 396.443 3.709 0 40 GHAB COc1ccc(CN2CCC([C@H](NC(=O)C3CCC3)c3ccccn3)CC2)cc1 19554947 FENXDSZYDKATNN-QHCPKHFHSA-N 393.531 3.960 0 40 GHAB Cc1noc2nc([C@H]3CCCN(C(=O)c4cccnc4)C3)cc(C(F)(F)F)c12 19564164 CGYSVEOWYDJWIL-ZDUSSCGKSA-N 390.365 3.965 0 40 GHAB O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nc2ccc(F)c(F)c2)CC1 102674449 QHVPEUCGDRKVNQ-OKILXGFUSA-N 398.413 3.515 0 40 GHAB CCOc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1ccc(F)cc1 807760 XAVZZPVOFMSZEX-QAPCUYQASA-N 377.437 3.592 0 40 GHAB O=C(c1cnn2c1CCC2)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 516621363 QQDGIXUCRDGUHG-INIZCTEOSA-N 397.523 3.745 0 40 GHAB COC(=O)c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)o1 226306584 REXBNRIKJCPBNE-UHFFFAOYSA-N 375.377 3.673 0 40 GHAB O=C(COC(=O)c1ccc(F)cc1)Nc1ncc(C(F)(F)F)cc1Cl 2649304 JBMSOCTXNQJKAL-UHFFFAOYSA-N 376.693 3.688 0 40 GHAB CCn1cc(Br)c(C(=O)Nc2ccc(Br)cc2F)n1 28304646 YKBAXYDZNSKEAH-UHFFFAOYSA-N 391.038 3.819 0 40 GHAB COc1ccc(OCC(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1 5137423 YXLLBDGGJOGWCI-UHFFFAOYSA-N 386.448 3.696 0 40 GHAB COc1ccc(-c2nc(-c3cn(-c4cccc(Cl)c4)nn3)no2)c(OC)c1 49410143 IXKCLYQUGZHYAB-UHFFFAOYSA-N 383.795 3.655 0 40 GHAB COc1cc(C)c(CN[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(F)cc2)cc1C 19567393 OSSDYXTUNFLIGT-NRFANRHFSA-N 395.478 3.916 0 40 GHAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(F)cc1 40059947 IVKLTXNGXBOIMD-UHFFFAOYSA-N 393.484 3.540 0 40 GHAB Cc1nccc(-c2cccc(NS(=O)(=O)c3cc(C(=O)O)cc(C)c3C)c2)n1 31776635 RWKQAXISWXAPMT-UHFFFAOYSA-N 397.456 3.568 0 40 GHAB C[C@@H](C(=O)N[C@@H](c1cccs1)C1CCCC1)N1C(=O)c2ccccc2C1=O 31805960 LASWBIQDJQYQRS-SCLBCKFNSA-N 382.485 3.780 0 40 GHAB COc1cccc(-c2nc(CN3CCN(C(=O)c4ccccc4)CC3)cs2)c1 32654950 LYGPGNIKXWOXAO-UHFFFAOYSA-N 393.512 3.777 0 40 GHAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCc2ccccc2C)C(C)C)c1 11805616 PBWXEASSKCFKOY-FQEVSTJZSA-N 385.460 3.510 0 40 GHAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C 32730072 TVKGVRIFZAZZAS-MRXNPFEDSA-N 389.496 3.577 0 40 GHAB Cc1cccc(C(=O)N2CCN(c3nc(C)nc4sc(C)c(C)c34)CC2)c1 1377233 DPHJQPCSVGGSCA-UHFFFAOYSA-N 380.517 3.887 0 40 GHAB Cc1ccc([C@H]2CCCN2C(=O)CCn2cnc3c(C)cccc3c2=O)cc1 32754135 CVZQQLRKAFMLBH-HXUWFJFHSA-N 375.472 3.767 0 40 GHAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NC1CCCCC1 3370627 QLPQGCWZDSWPSA-UHFFFAOYSA-N 395.326 3.775 0 40 GHAB Cc1cccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c1C 3483576 USFVSVOPJWDQFU-UHFFFAOYSA-N 392.411 3.944 0 40 GHAB CCc1nc(COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cs1 21659849 KYGRPBWUDIKTOP-UHFFFAOYSA-N 391.452 3.762 0 40 GHAB O[C@H](COc1cccc2ccccc12)Cn1nnc(-c2cccc(Cl)c2)n1 32927828 ZPRHMZIQUXFKHE-KRWDZBQOSA-N 380.835 3.587 0 40 GHAB CCOc1ccc(NC(=O)CNc2cccc(C(=O)NC(C)C)c2)cc1OCC 32932751 WOIVZJYMSPHPGE-UHFFFAOYSA-N 399.491 3.673 0 40 GHAB O=C(CNc1ccccc1C(=O)NC1CC1)Nc1cc(Cl)ccc1Cl 10753596 JXTLODODNOHJIQ-UHFFFAOYSA-N 378.259 3.936 0 40 GHAB CC[C@@H](CO)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 8326269 JEWDUQIDZNLQGV-INIZCTEOSA-N 394.309 3.897 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 10958613 SBEQOWUVJPPBAZ-IBGZPJMESA-N 398.528 3.605 0 40 GHAB CN(C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)C1CCCCC1 20043554 GTRQCFOQMNJAMH-UHFFFAOYSA-N 393.336 3.551 0 40 GHAB CCC[C@@H](NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 22804782 MDIWAWXOYHFLLI-GPOLZQFCSA-N 391.559 3.975 0 40 GHAB CCCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1Cl 23114873 SPZJAFBIUFPLKP-UHFFFAOYSA-N 378.881 3.580 0 40 GHAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cc(=O)c2ccccc2o1 47339426 PXPAQZPOIMQVPE-UHFFFAOYSA-N 388.379 3.568 0 40 GHAB Cc1cc(C)c(NC(=O)CCCSCC(=O)NCC(F)(F)F)c(C)c1 23414102 RBUGHOUIEBTSDK-UHFFFAOYSA-N 376.444 3.742 0 40 GHAB CC(C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 106757014 XYEWZUFUAQUHFJ-ATVHPVEESA-N 388.489 3.523 0 40 GHAB Cc1ccc(-n2c(COc3ccccc3)nn(CN3CCOCC3)c2=S)cc1 24081719 XLCFRWBNTNHVLZ-UHFFFAOYSA-N 396.516 3.580 0 40 GHAB COc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1OC 27980079 HABPCCMNZLWUSM-UHFFFAOYSA-N 385.391 3.945 0 40 GHAB Cc1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1C 28535522 DSSWHVQOVJMLRK-UHFFFAOYSA-N 387.896 3.658 0 40 GHAB CN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccccc1Br 24211691 UPECLWOZHYXAAO-UHFFFAOYSA-N 380.286 3.805 0 40 GHAB CC(C)CCC[C@H](C)NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 61719849 YSQKBEDTFHKZSU-HNNXBMFYSA-N 375.900 3.895 0 40 GHAB Cn1ccnc1[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 43272659 BTUZQSSMDDVLEN-MRXNPFEDSA-N 377.416 3.618 0 40 GHAB Cc1nn(-c2nnc3c(n2)[nH]c2ccccc23)c(C)c1Cc1ccc(N(C)C)cc1 34798157 PMMGDQIUTKWPCL-UHFFFAOYSA-N 397.486 3.965 0 40 GHAB CC[C@H](CO)N(CCCO[C@H]1CCOC1)Cc1ccc(Cl)cc1Cl 106922349 JJASTCMBNUTBMJ-SJORKVTESA-N 376.324 3.762 0 40 GHAB COc1ccc2c(-c3ccccc3)c(C(=O)N[C@H]3CCCCNC3=O)oc2c1 55993303 GFWLEWZUYGPHKD-KRWDZBQOSA-N 378.428 3.507 0 40 GHAB CONC(=O)c1cc(-c2ccc(C)cc2)nc2nc(N3CCCCC3)sc12 25825298 MVZYVIRVLGCVGZ-UHFFFAOYSA-N 382.489 3.948 0 40 GHAB Cc1cc2nc3c(c(O)n2n1)C[C@H]1CC[C@H](C3)N1Cc1ccc(Cl)c(F)c1 100731772 ALFNEIFVVKTJIC-ZIAGYGMSSA-N 386.858 3.668 0 40 GHAB COC(=O)c1cn(CC(=O)N(Cc2ccccc2F)C2CC2)c2ccccc12 26393985 TWHAKGAUHCAGQC-UHFFFAOYSA-N 380.419 3.758 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 44173950 PKRSKDNEGOCCQY-CYBMUJFWSA-N 387.530 3.513 0 40 GHAB COc1ccc2c(c1O)[C@@]13CCN(C)[C@H](C2)[C@H]1C(Br)=CC=C3C 100393694 FCXBYZRFHRNZPT-BJZITVGISA-N 376.294 3.754 0 40 GHAB biogenic,in-vitro CCN1CCN(C(=O)Cc2ccc(N[C@H](C)CSCC(C)C)cc2)CC1 97046007 OWQKAPHLVYLHNG-GOSISDBHSA-N 377.598 3.583 0 40 GHAB Cc1cc(C)cc(-n2c(SCC(=O)N3CCCC3)nc3ccccc3c2=O)c1 3247654 GAHZLOHIMBCZSA-UHFFFAOYSA-N 393.512 3.717 0 40 GHAB COc1ccc(CCNC(=O)CNc2ccc(Cl)c(Cl)c2)cc1OC 3298604 JPTSADDIHBKZGX-UHFFFAOYSA-N 383.275 3.781 0 40 GHAB CC[C@@H](CNC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 57987118 MAXOTFACUYPUHG-KRWDZBQOSA-N 378.476 3.800 0 40 GHAB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 2096486 FERXOJLCIZZBGE-CQSZACIVSA-N 389.448 3.927 0 40 GHAB biogenic O=C(CCN1C(=O)Cc2ccccc2C1=O)Nc1ccccc1Cc1ccccc1 10031221 DKIMMXRBYOYAKQ-UHFFFAOYSA-N 398.462 3.831 0 40 GHAB O=C(Nc1ccccc1F)c1ccc(NS(=O)(=O)c2cccs2)cc1 10009704 UUYGXVGMMFKBRG-UHFFFAOYSA-N 376.434 3.940 0 40 GHAB COc1cccc(NC(=O)[C@@H](NCc2ccc(OC)nc2)c2ccccc2)c1 10185631 VRAZVPOMGKEDSH-NRFANRHFSA-N 377.444 3.568 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)SCc1ccccc1 57557607 MMXQFRLZSWSRFS-ZDUSSCGKSA-N 389.473 3.751 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 3391256 BFHKVQPJHUFHIK-QPJJXVBHSA-N 381.215 3.592 0 40 GHAB CC(C)=C[C@H]1[C@H](C(=O)OCC(=O)N2CCc3[nH]c4ccccc4c3C2)C1(C)C 28415131 FQQCXXXWHZLVOE-LAUBAEHRSA-N 380.488 3.834 0 40 GHAB COc1ccc2nc3c(cc2c1)c(NC(=O)c1ccncc1)nn3CC(C)C 2336812 MBHDRJPRTIOAFZ-UHFFFAOYSA-N 375.432 3.896 0 40 GHAB CC(=O)NCc1ccc(S(=O)(=O)Oc2ccc(Oc3ccccc3)cc2)cc1 12770226 FVBULPVMWCUQII-UHFFFAOYSA-N 397.452 3.883 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 20765836 BLWFCJSIYWHXHT-INIZCTEOSA-N 386.517 3.747 0 40 GHAB COC(=O)c1ccc(COC(=O)c2ccccc2NC(=O)c2cccc(C)c2)o1 3451392 PHAHGXLECOLMJM-UHFFFAOYSA-N 393.395 3.984 0 40 GHAB COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc(F)cc1F 12905183 HLVJRJUNQNFVCK-MRXNPFEDSA-N 378.400 3.740 0 40 GHAB CSCC[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)O 12985881 ITSPMXNOBKYVNG-IAGOWNOFSA-N 375.515 3.843 0 40 GHAB Cc1cccc(C(=O)Nc2ccnn2Cc2cc(Br)cs2)n1 12902901 OOEQERFIKVJGRA-UHFFFAOYSA-N 377.267 3.711 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H](CC(C)C)N1CCOCC1 13003222 FVNACIMAJGDTFE-SFHVURJKSA-N 387.549 3.595 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 49006240 JYTFDQBKKAHGSC-UHFFFAOYSA-N 386.908 3.858 0 40 GHAB O=C(CCNC(=O)c1ccco1)Nc1ncc(Cc2cccc(Cl)c2)s1 8705702 ZNWZMYVQNIYXLA-UHFFFAOYSA-N 389.864 3.739 0 40 GHAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 13570337 OSXOAOBZDKLXSG-GFCCVEGCSA-N 383.879 3.802 0 40 GHAB O=C(c1cccc(Cl)c1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 5046853 DDLJYDWODLUNDD-KRWDZBQOSA-N 398.311 3.823 0 40 GHAB CC(=O)N1CCC(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1 39979670 DWHMKVAHAHUGBP-UHFFFAOYSA-N 386.879 3.513 0 40 GHAB CS(=O)(=O)NCCc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 14103718 IUZWGFIKVKAKGP-UHFFFAOYSA-N 391.493 3.785 0 40 GHAB CCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Br 4667120 ZEGRGFWQZPWWED-RYUDHWBXSA-N 376.316 3.514 0 40 GHAB CCn1c2ccccc2c2cc(NC(=O)C[C@@H](C)CC(=O)NCCOC)ccc21 4676595 UVCNLWNZHXWUGW-INIZCTEOSA-N 395.503 3.932 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccn(Cc4ccccc4C)n3)o2)n1 28237918 TUKCNMROCCGRQD-UHFFFAOYSA-N 389.459 3.947 0 40 GHAB COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccccn2)cs1 5692763 BLPGFOQVZHWEKT-UHFFFAOYSA-N 383.429 3.588 0 40 GHAB COc1cccc(CNC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c1 4997059 UCFZHLWXKZYRGF-UHFFFAOYSA-N 394.456 3.635 0 40 GHAB CC(C)NC(=O)[C@@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 6994777 HNLDJWMXMHAGHF-CYBMUJFWSA-N 393.944 3.526 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 7014823 XMBLXHNHZYHARZ-HSZRJFAPSA-N 393.487 3.526 0 40 GHAB O=C(CSc1nc2ccsc2c(=O)n1Cc1ccco1)Nc1ccccc1 67335250 GPCJNNFXEQHRAE-UHFFFAOYSA-N 397.481 3.830 0 40 GHAB C[C@H](NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1 15550880 VAXQCFDNVFYYIM-IRXDYDNUSA-N 397.494 3.742 0 40 GHAB COc1ccc(NC2=N[C@H](c3ccccc3Cl)n3c(nc(C)cc3=O)N2)cc1 7495779 GRXGZOHRTHANPU-SFHVURJKSA-N 395.850 3.654 0 40 GHAB O=C(CN1CCCc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7978354 JXTXKDSWMLEYLF-OAQYLSRUSA-N 392.499 3.964 0 40 GHAB COc1ccc(OCCCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 7985342 CYJUJKZHVFYJGY-FQEVSTJZSA-N 397.471 3.989 0 40 GHAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc3ccccc3c1)C2=O 8231486 HWXMRLNGZSCEPG-WNSKOXEYSA-N 393.487 3.915 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4C)ccn3n2)cc1 9321112 YVGKVZCMJHGWAC-UHFFFAOYSA-N 390.418 3.558 0 40 GHAB CCOc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)sc2c1 9582146 WMGHZJZUFDLFCQ-CQSZACIVSA-N 395.484 3.995 0 40 GHAB CCCNC(=O)COc1ccc2c(=O)c(Oc3ccccc3OC)c(C)oc2c1 9548001 INXKEKPJJDUFLQ-UHFFFAOYSA-N 397.427 3.807 0 40 GHAB COC(=O)Nc1ccc(CNS(=O)(=O)c2cc(Cl)sc2Cl)cc1 83891464 WWDGWPVOYCPMPO-UHFFFAOYSA-N 395.289 3.712 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 79101024 WJVKFKJLEAEANI-KRWDZBQOSA-N 385.895 3.861 0 40 GHAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3C(C)C)CC2)cc1 89893488 CRUQGAOGMGARTK-UHFFFAOYSA-N 379.504 3.773 0 40 GHAB Cc1oc2ncn(Cc3ccccc3)c(=O)c2c1C(=O)Nc1ccccc1F 35673042 XYSSLIXCUWHHBO-UHFFFAOYSA-N 377.375 3.738 0 40 GHAB COc1ccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 62716553 VLYJZNMDXJARAX-UHFFFAOYSA-N 375.475 3.565 0 40 GHAB Cc1cccc(CSc2nnc(Nc3cccc(Cl)c3C)c(=O)n2N)c1 28535979 IEAIADZXWODDCF-UHFFFAOYSA-N 387.896 3.658 0 40 GHAB C[C@H]1C[C@H](OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)CC(C)(C)C1 35338760 SKTOVRLIDRMZIZ-WMQCIHAUSA-N 378.532 3.540 0 40 GHAB CCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@@H](C)CC)C2=O)cc1 35648432 CHJJPBZLESNBNE-ZYBSRVEDSA-N 379.503 3.786 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 33606226 PPLBMXWRPNNQHX-ZDUSSCGKSA-N 380.897 3.978 0 40 GHAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)[C@@H]2COc3ccccc3O2)C1 77200194 WXLLVNYBSGRUEV-UWVAXJGDSA-N 396.443 3.503 0 40 GHAB CSc1nc2n(n1)[C@@H](c1cccs1)[C@H](C(=O)Nc1ccccc1)[C@H](C)N2 36701751 YGZONMMUUAUSDW-GLQYFDAESA-N 385.518 3.720 0 40 GHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCSCc1ccco1 32999763 YZAFWQGDYKJCEY-GFCCVEGCSA-N 384.295 3.859 0 40 GHAB Ic1ccc(-c2nc3ccc(-n4cnnc4)cc3o2)cc1 70461323 GZEQLEWPODJWAM-UHFFFAOYSA-N 388.168 3.680 0 40 GHAB Cc1cccnc1Nc1ccc([C@@H]2CCCN(C(=O)c3ccc(N)nc3)C2)nc1 72353398 BUZQRHGTFTULRQ-QGZVFWFLSA-N 388.475 3.526 0 40 GHAB CC[C@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc(S(C)(=O)=O)cc1 218969964 LHQJGDWHEWEBAY-IBGZPJMESA-N 389.517 3.662 0 40 GHAB COc1ccc(Oc2cc(C)nc([C@H]3CCCN3C(=O)c3cccnc3)n2)cc1 72383760 CQVVLEXRORCPRI-LJQANCHMSA-N 390.443 3.958 0 40 GHAB Cc1nccn1Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2C)cc1 44932545 GPABOCQATHAHEL-UHFFFAOYSA-N 385.471 3.664 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(NC(=O)NC2CC2)cc1 48353786 BPKXGNFMXNWMGS-UHFFFAOYSA-N 379.869 3.733 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc4c(c3)OCCO4)o2)cc1 224852874 LDHXKYBUGHXIKX-UHFFFAOYSA-N 380.400 3.693 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccc(C)c2)c1 225589273 SJMUEANZUFNCCQ-OAQYLSRUSA-N 395.480 3.850 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 222684337 OIVAXANLNSJDCH-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(Cl)c(Cl)c1 40478720 FHQPLPYHIOROFO-UHFFFAOYSA-N 376.243 3.904 0 40 GHAB CCOC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 223000944 NYKBSSKKYLZKSX-LBPRGKRZSA-N 382.869 3.948 0 40 GHAB O=C(O)[C@H](Cc1ccc(I)cc1)OCc1ccccc1 225070027 OGSXZOGJIIZEGW-HNNXBMFYSA-N 382.197 3.504 0 40 GHAB CN1CCC(Oc2ccc(NC(=O)CCc3ccc4c(c3)OCCO4)cc2)CC1 222648261 FUQVKMNSPWRRPH-UHFFFAOYSA-N 396.487 3.502 0 40 GHAB S=C(Nc1nc(Cl)cc(Sc2ncccn2)n1)NC1CCCCC1 226009582 PCKHVQYCYSWFQG-UHFFFAOYSA-N 380.930 3.690 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 222963756 DLGYAQYYAZGMLS-FQEVSTJZSA-N 382.504 3.742 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)c1 224845806 VPEBDSPYJFFXLX-WOJBJXKFSA-N 394.500 3.614 0 40 GHAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc(C2CC2)nn1-c1ccccc1 85874865 GENUXBKUUBWJKY-GHTZIAJQSA-N 378.520 3.744 0 40 GHAB biogenic COc1cc2cc(C(=O)NCCn3ccc4c(C)cccc43)[nH]c2cc1OC 96116557 VYMIHZCADBXSNT-UHFFFAOYSA-N 377.444 3.878 0 40 GHAB biogenic COc1ccc(-c2noc([C@H](C)O)c2C(=O)NCc2cc(F)cc(F)c2)cc1 253397875 GDXWLWRRYMQBHG-NSHDSACASA-N 388.370 3.612 0 40 GHAB biogenic,in-vitro CC1(c2ncc(Cc3ccccc3F)o2)CCN(C(=O)c2ccncc2)CC1 257213008 CFVAPCMUTFYSFS-UHFFFAOYSA-N 379.435 3.993 0 40 GHAB COCCOCC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257280991 ONFSKRIWNXPOAI-GOSISDBHSA-N 392.883 3.635 0 40 GHAB O=S(=O)(Nc1cc(CCc2ccccc2)[nH]n1)c1cnc2ccsc2c1 675546583 ICVCFDRWBHZMQR-UHFFFAOYSA-N 384.486 3.605 0 40 GHAB O=C(CN1CCC[C@@H]1[C@@H](O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1196773910 VYJXZZGXVIBOEE-MJGOQNOKSA-N 394.393 3.722 0 40 GHAB Cc1nc([C@H](NC(=O)CC2CCC(C(=O)O)CC2)c2ccc(Cl)cc2)no1 566563712 LBDPODGKXQPBME-MKTAYPAQSA-N 391.855 3.518 0 40 GHAB O=C(c1ccoc1)N1CCC[C@@]12CCCN(c1ncnc3ccsc13)CC2 585100781 WHGPUEAJDFJQSY-HXUWFJFHSA-N 382.489 3.950 0 40 GHAB Cc1nc(C)c(CN2CCOC[C@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)s1 585103682 FHFOLQGTXVVVGM-VGOFRKELSA-N 399.560 3.572 0 40 GHAB COCCOc1ccc([C@@H](C)NC(=O)Cc2c[nH]c3ccccc23)cc1OC 48354493 CBWOCDVEMXKNNS-OAHLLOKOSA-N 382.460 3.622 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(Cc3cscn3)C2)on1 72342921 FLIYJEZRMXXMSU-HNNXBMFYSA-N 394.504 3.837 0 40 GHAB CCCCCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)ccc1OC 5005059 DEWPLNIEZDXMDN-SFHVURJKSA-N 392.521 3.620 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 5560596 ZOEXEABLPHSTAP-NIKGAXFTSA-N 375.465 3.806 0 40 GHAB COc1ccc(C2CCN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 12113933 YDGKAPLVULIMGD-UHFFFAOYSA-N 399.487 3.670 0 40 GHAB Cc1cc(C)cc(C(=O)N[C@H](c2ccncc2)[C@@H]2N=C(c3ccccc3)OC2=O)c1 13221061 PJBOZNLUGFDVBU-RTWAWAEBSA-N 399.450 3.542 0 40 GHAB CCCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN(C)CC4)cc3)cc2c1 13562998 KHZJMJRCRCVRFA-UHFFFAOYSA-N 390.531 3.845 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714250 AXODZPLTLXFGPM-MRXNPFEDSA-N 396.896 3.532 0 40 GHAB CC[C@H](C(=O)Nc1ccc(F)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716324 UMAWLTJRHZTJDS-GOSISDBHSA-N 378.469 3.626 0 40 GHAB O=C(OCc1nc2ccccc2n1C(F)F)c1cncc(Br)c1 14902156 NAXXDLDUGHNYGR-UHFFFAOYSA-N 382.164 3.946 0 40 GHAB COc1ccc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)cc1OC 16085673 VSDWTLIFWQTEKQ-UHFFFAOYSA-N 398.527 3.950 0 40 GHAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)C3CCC3)CC2)on1 19122761 PDKVDDBNOMYLCZ-UHFFFAOYSA-N 395.507 3.546 0 40 GHAB c1cncc(CN(CCCN2CCOCC2)Cc2cnn(C3CCCCC3)c2)c1 19338623 ANOPICFVKGRUSQ-UHFFFAOYSA-N 397.567 3.508 0 40 GHAB Cc1nc(C)c(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2Cl)o1 19559390 VOOGLPCVTQWORF-QGZVFWFLSA-N 384.867 3.997 0 40 GHAB COc1ccc(C(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)cc1OC 19559875 YDJYDHMKXBOUIA-NRFANRHFSA-N 396.418 3.605 0 40 GHAB Cc1ccc([C@]2(O)CCN(C(=O)c3cnc(-c4ccc(Cl)cc4)nc3)C2)cc1 19661886 NRGBFPZJZSISJK-QFIPXVFZSA-N 393.874 3.839 0 40 GHAB Cc1cnc(-c2nc([C@H]3CCCN(C(=O)c4csc(C)c4C)C3)no2)cn1 12187811 QVYGKRQFPGQGSZ-AWEZNQCLSA-N 383.477 3.533 0 40 GHAB NC(=O)c1cc2cc(F)ccc2nc1[C@H]1CCCN(C(=O)c2ccccc2F)C1 13266828 QIWHJRSLMCQHCK-ZDUSSCGKSA-N 395.409 3.632 0 40 GHAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(F)cc2F)C(C)C)cc1 6778583 APJZRIJBLDIWNO-SFHVURJKSA-N 376.403 3.757 0 40 GHAB Cc1c(C(=O)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2n1C 4062440 CGVQKJPZUJUPFG-UHFFFAOYSA-N 395.890 3.672 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2cc(-c3ccc(OC)nn3)ccc2C)c1 11694183 SVFUBFIQNFPNJX-UHFFFAOYSA-N 379.416 3.730 0 40 GHAB COc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1 13695005 ZRKJJFOCBDRPFE-UHFFFAOYSA-N 378.472 3.956 0 40 GHAB O=C(c1cccs1)N(CCCN1CCOCC1)c1nc2ccccc2s1 22997241 GEQSDRDLIRFABC-UHFFFAOYSA-N 387.530 3.727 0 40 GHAB CSc1ccccc1C(=O)Nc1nn(C)c2c1[C@@H](c1cccs1)CC(=O)N2 36705666 MKVVUTGIFUKPIB-GFCCVEGCSA-N 398.513 3.930 0 40 GHAB O=C(c1c(F)cccc1Cl)N1CC[C@H](Oc2ncccc2Br)C1 238875468 NXYFAULVKDERIK-JTQLQIEISA-N 399.647 3.930 0 40 GHAB O=C(NC[C@H]1CCCc2ccccc21)[C@H]1CCCN(C(=O)c2cccs2)C1 30897936 WIEWSOHCSQTPPL-MSOLQXFVSA-N 382.529 3.837 0 40 GHAB O=C1C[C@H](N2CCCc3ccccc32)C(=O)N1c1ccc(Br)cc1 101076718 USMJVQRYSSGBTH-KRWDZBQOSA-N 385.261 3.534 0 40 GHAB O=C(COc1ccccc1C(F)(F)F)Nc1cccc(C(=O)NC2CC2)c1 11722759 KEXAORRMWOOQEN-UHFFFAOYSA-N 378.350 3.615 0 40 GHAB Cc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1Cl 652958 HAOXDLJHGMIPIE-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32796254 AYAIAXVKNJHKEB-LLVKDONJSA-N 377.213 3.580 0 40 GHAB O=C1CS[C@H](c2cccs2)N1CCN1C(=O)CS[C@@H]1c1cccs1 1612785 QOECHTBSDVADOD-HZPDHXFCSA-N 396.584 3.658 0 40 GHAB CCOc1ccc(C(C)=O)cc1COC(=O)c1cnc2c(cnn2C(C)C)c1 32866008 UMYKPQNZMPNLML-UHFFFAOYSA-N 381.432 3.971 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 6063969 SRURMVPXOWKNDT-UHFFFAOYSA-N 385.460 3.561 0 40 GHAB COc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1Br 6275946 UIOKOPMSTVQBNZ-UHFFFAOYSA-N 379.279 3.893 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(F)cc3)c2)c1 7230260 LNWZOOKIQKZFPZ-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB COc1ccc(C(=O)CSc2nnc(COc3cccc(C)c3C)n2C)cc1 59176341 ZPSDAVYABJZKOG-UHFFFAOYSA-N 397.500 3.995 0 40 GHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[C@H]1C[C@H]2C=C[C@H]1C2 102960083 NMPGHAWOJXYKKX-DZKIICNBSA-N 394.924 3.665 0 40 GHAB CCOc1cc2c(cc1CNC(=O)CC13C[C@@H]4C[C@@H](CC(O)(C4)C1)C3)O[C@H](C)C2 8273576 FSGSJCVQFMZNHF-RPOUUZPESA-N 399.531 3.746 0 40 GHAB O=C(O)[C@@H]1Cc2ccccc2[C@@H](C(=O)OCC2c3ccccc3-c3ccccc32)N1 55161883 PAAWUAPRJOJQQN-GOTSBHOMSA-N 399.446 3.682 0 40 GHAB Cc1cc(C)n2nc(C)c(C(=O)NCC34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)c2n1 103489939 VEQHMFDVVQQVDS-AJHHTPGJSA-N 386.927 3.962 0 40 GHAB COCc1cc(C)nc2sc3c(c12)N(C(C)=O)[C@@H](c1ccc(F)cc1)NC3=O 973938 VGPKHBIAOZKIEY-SFHVURJKSA-N 399.447 3.685 0 40 GHAB O=c1[nH]c(CNc2ccc(Br)cc2)nn1Cc1cccc(Cl)c1 61718098 HERFTCOCXZYFAJ-UHFFFAOYSA-N 393.672 3.648 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2ccnc2)cc1 12547851 DJIUODHUZQPYFO-SJLPKXTDSA-N 398.507 3.697 0 40 GHAB Cc1cccc2c(=O)[nH]c(CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc12 24602296 SLLXOWGDGJAHIX-SFHVURJKSA-N 391.471 3.730 0 40 GHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 106576309 ADFNPENYABNUSX-SFTDATJTSA-N 395.522 3.680 0 40 GHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccc2c(c1)CCCC2 25321327 QKKPBVZDKATYEW-OXJNMPFZSA-N 380.488 3.888 0 40 GHAB CO[C@H]1CC[C@H](C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)CC1 100749219 XKBNARBFDIVIGB-AAMVXILJSA-N 386.536 3.514 0 40 GHAB O=S(=O)(NCCCn1cnc2ccccc21)c1ccc(Cl)c(Cl)c1 12629343 KZLLJINQVQYSBJ-UHFFFAOYSA-N 384.288 3.712 0 40 GHAB CN(Cc1ccc(Br)cc1)C(=O)CN1CCc2sccc2C1 10106654 NXAXDVAKFFRFMZ-UHFFFAOYSA-N 379.323 3.527 0 40 GHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN(C(=O)C(C)C)CC1 58114214 RHCURTNWUBPKIY-UHFFFAOYSA-N 391.924 3.712 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c2ccccc2)cc1 27691845 OSRXWSQCLJVRTP-YLJYHZDGSA-N 388.533 3.565 0 40 GHAB CCCCc1ccc(Nc2nnc(SCc3ccccc3)n(N)c2=O)cc1 28535724 CMCSTHSBRFZMCD-UHFFFAOYSA-N 381.505 3.731 0 40 GHAB OCCNCCSc1nc(C2CCCCC2)n(-c2ccccc2Cl)n1 3305622 UAGCNJLEIJMBQW-UHFFFAOYSA-N 380.945 3.642 0 40 GHAB O=C(NCCc1cc(F)cc2c1OCOC2)[C@@H]1C[C@H]1c1ccccc1Cl 58402665 QNSKNYSXEAPMAK-DLBZAZTESA-N 375.827 3.808 0 40 GHAB COc1cccc(-n2cnc3cc(C(=O)Nc4ccccc4F)ccc3c2=O)c1 36354603 KWEIQWMPEMNWRO-UHFFFAOYSA-N 389.386 3.786 0 40 GHAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 2402920 AXXGZSOONKNHJA-VXGBXAGGSA-N 377.872 3.524 0 40 GHAB CCOc1ccccc1OCCCC(=O)Nc1cccc(C(=O)NC2CC2)c1 12858648 YVLZQRIJFDKDSC-UHFFFAOYSA-N 382.460 3.775 0 40 GHAB Cc1c(Cl)c(CSc2nnnn2C[C@@H]2CCCO2)nc2ccccc12 8324910 NWHLJIXOUJMFNB-LBPRGKRZSA-N 375.885 3.654 0 40 GHAB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCc2ccccc2C1 8344637 VXDCYJRMGLNURM-UHFFFAOYSA-N 381.435 3.584 0 40 GHAB CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nc(CC(=O)O)cs2)cc1 12920775 VIHKBYKUXNUFLJ-ZDUSSCGKSA-N 392.546 3.938 0 40 GHAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1nc2ccccc2c(=O)[nH]1 6106380 ASUVGLJIHIYKER-LLVKDONJSA-N 381.436 3.711 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccc(F)cc1)C1CCCCC1 5167038 ZAWQSEWJNPOJLP-UHFFFAOYSA-N 393.462 3.897 0 40 GHAB C[C@H](NC(=O)CN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)CCCC2 17283596 REHPJPKDYLKDSC-SFHVURJKSA-N 395.522 3.704 0 40 GHAB Cc1csc([C@@](O)(CC(=O)N2CCC(c3ccccc3)CC2)C(F)(F)F)n1 65479479 URZPFYOOHRXJDN-SFHVURJKSA-N 398.450 3.998 0 40 GHAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 65505074 KBKGZTUPDZCSCQ-VGROQVPSSA-N 396.453 3.819 0 40 GHAB O=C(Nc1ccc[nH]c1=O)c1ccccc1SCc1cn2ccccc2n1 65609668 SXIMTTKMNQRJBC-UHFFFAOYSA-N 376.441 3.567 0 40 GHAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccccc1 14237143 MWMBKEBREZKUEC-KSSFIOAISA-N 394.924 3.520 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCCC[C@H]1C 5558170 UAXYFPWCIDPURS-OAHLLOKOSA-N 388.489 3.511 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1Oc1ccccc1 6650837 VEVXHXRDZILHQB-UHFFFAOYSA-N 385.423 3.988 0 40 GHAB C[C@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)NCc1ccccc1 4767004 HOQYWHAQCXAVDA-VIFPVBQESA-N 387.650 3.904 0 40 GHAB CC(C)Cn1c(=O)c(CCC(=O)N2CCCCC2)nc2cc(Cl)ccc21 6755312 UDYPADRNNPKFDD-UHFFFAOYSA-N 375.900 3.651 0 40 GHAB O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccccc1Cc1ccccc1 8850493 NAWLIIGGZOEENP-UHFFFAOYSA-N 376.456 3.535 0 40 GHAB Cc1cc(C)cc(OCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1 7823985 HAEJUXBFTHJWKS-UHFFFAOYSA-N 377.488 3.860 0 40 GHAB O=C1NC2(CCN(Cc3nccs3)CC2)c2nc(-c3ccccc3)sc21 306130998 JUKILHVTSNEEHF-UHFFFAOYSA-N 382.514 3.501 0 40 GHAB COC(=O)c1ccc2nc(NC(=O)c3cc(Cl)ccc3OC)sc2c1 20412323 BXLCPBDXIGTFOW-UHFFFAOYSA-N 376.821 3.997 0 40 GHAB O=C(OCc1ccc(-n2ccnc2)cc1)c1ccc(OCC(F)(F)F)nc1 72312610 DGWMYUCYNPHRRV-UHFFFAOYSA-N 377.322 3.565 0 40 GHAB O=C(Nc1ncccc1OCC1CCCCC1)c1n[nH]c(=O)c2ccccc12 72056742 MQMCDSSAHPQBPA-UHFFFAOYSA-N 378.432 3.530 0 40 GHAB c1ccc(CN(Cc2cc[nH]n2)c2nc(-c3cccnc3)nc3c2CCC3)cc1 95443183 LPJRHKCWYWAOTI-UHFFFAOYSA-N 382.471 3.957 0 40 GHAB O=C(Nc1ccc(N2CCSCC2)cc1)N(C[C@@H](O)c1ccccc1)C1CC1 79015243 JAAVXMMOCGYOEK-OAQYLSRUSA-N 397.544 3.970 0 40 GHAB Cc1cccc(NC(=O)CCNCc2csc(COc3ccccc3)n2)n1 95959240 CTEBOJYKBXIZEF-UHFFFAOYSA-N 382.489 3.544 0 40 GHAB C[C@H]1CCC[C@@H](NC(=O)c2cccc(=O)n2CCOc2ccccc2Cl)C1 89927286 YEIJDVDWOFZAFB-JKSUJKDBSA-N 388.895 3.889 0 40 GHAB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Cl)c1OC 409228492 ZELKQMIWEDLDJK-GXDHUFHOSA-N 385.869 3.820 0 40 GHAB COc1ccc([C@H](C)Cc2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 546427524 WOLYAWGUNDLFHC-WBVHZDCISA-N 377.444 3.945 0 40 GHAB COc1cc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)cc(Cl)c1OC(C)C 409187763 BPSZGGZXJVNERH-QPEQYQDCSA-N 383.857 3.780 0 40 GHAB Fc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc5c(c4)OCO5)C2)C3)cc1 306145075 ZWZXMLHSRMZIBS-QHCPKHFHSA-N 391.446 3.866 0 40 GHAB COc1ccc(OC)c(NC(=O)Nc2ncn(Cc3cccc(Cl)c3)n2)c1 32609906 DCXULLCPLGCOFL-UHFFFAOYSA-N 387.827 3.641 0 40 GHAB COc1ccccc1C1(CNC(=O)N2CC[C@H](n3cc(C)cn3)C2)CCCC1 555178322 AIKUAWNYDQYZAG-SFHVURJKSA-N 382.508 3.669 0 40 GHAB CN(C(=O)COC(=O)c1cccnc1Nc1ccccc1F)C1CCCCC1 32910696 YNWVSLMXTRDTMN-UHFFFAOYSA-N 385.439 3.912 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1cncc(-n2ccnc2C(C)C)n1 72378614 KRZFADGHDGNBMV-OAHLLOKOSA-N 382.493 3.528 0 40 GHAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1N1CCOCC1 72216253 PPMPYHMXYNXSNU-FQEVSTJZSA-N 381.476 3.782 0 40 GHAB COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4ccccc4)C3)n[nH]2)cc1 72371224 PTAGXZIVRKEVCM-SFHVURJKSA-N 391.471 3.670 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Oc3ccc(C)cc3C)CC2)c1 40130087 NJDCYPTZXLOREF-UHFFFAOYSA-N 397.471 3.778 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccc(F)cc1 222956905 VPYACYBEMXZOOS-IBGZPJMESA-N 388.508 3.612 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)NCc3ccc(F)cc3)o2)c(OC)c1 224873521 ZRBAAZXVBDBFOP-UHFFFAOYSA-N 384.407 3.747 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1-c1cccs1 225762871 RHSBWDUNPXTFLG-UHFFFAOYSA-N 394.905 3.951 0 40 GHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCN(c2ccc(F)cc2)CC1 48365500 UJABOCOTWXRMPJ-UHFFFAOYSA-N 396.466 3.837 0 40 GHAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 225967709 NFDPEKAMIWDTFL-UHFFFAOYSA-N 386.395 3.744 0 40 GHAB CCOC(=O)Nc1nc2c(s1)CN(C(=O)CSCc1ccccc1)CC2 77196333 YCXSPHPUNHAELZ-UHFFFAOYSA-N 391.518 3.530 0 40 GHAB CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 222836958 ZXVXXZOGZNPLPQ-INIZCTEOSA-N 382.932 3.644 0 40 GHAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1C 224230149 SSUXBQGJJOYPLS-LJQANCHMSA-N 380.488 3.784 0 40 GHAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Br)cc1 80343839 CZCAOKNFXCLTDS-GFCCVEGCSA-N 387.299 3.698 0 40 GHAB O=C(c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12)N1CCC[C@@H](O)C1 96266712 ONPIJYPRYNYKGR-QGZVFWFLSA-N 378.476 3.515 0 40 GHAB Cc1ccc([C@@H](C)C(=O)NC[C@H]2CC[C@H](c3n[nH]c4nccnc43)CC2)cc1 257201225 AGUIISVTRGVVBB-JFIYKMOQSA-N 377.492 3.855 0 40 GHAB CO[C@@H](C)CN(C)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 585082690 IMEILGMWBWMUGV-NSHDSACASA-N 382.291 3.775 0 40 GHAB NC[C@H]1CCCn2ncc(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)c21 592485562 HDQVOMTYHUAGEH-CYBMUJFWSA-N 392.425 3.543 0 40 GHAB COC(=O)[C@H]1CN(Cc2nc(-c3ccc(Cl)cc3)no2)Cc2ccccc21 599669904 GNFFPQGOHVNEDA-KRWDZBQOSA-N 383.835 3.662 0 40 GHAB CO[C@H](C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)[C@@H]1CCOC1 612755745 MEQQBXBSRYPAJL-XIKOKIGWSA-N 384.457 3.659 0 40 GHAB O=S(=O)(CCc1cc(Cl)c2c(c1)OCCCO2)C[C@@H]1CC[C@@H]2C[C@@H]2C1 621996236 PSHMKGPQUNMAJB-OAGGEKHMSA-N 384.925 3.895 0 40 GHAB COc1ccc([C@@H](CNC(=O)[C@@H]2CCCCN2C)c2c[nH]c3ccccc23)cc1 599294022 UVPCFQDBRMODGL-OFNKIYASSA-N 391.515 3.909 0 40 GHAB CCCNC(=O)OCc1cnc2ccc(OC)cc2c1COC(=O)NCCC 5486980 XSFHIIMPRKHRIR-UHFFFAOYSA-N 389.452 3.516 0 40 GHAB CCN(CC)C(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O 5801962 RZOOKLHHPHWFSJ-UHFFFAOYSA-N 375.881 3.647 0 40 GHAB Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 12406959 HDVLIIDIBNEQBC-GDBMZVCRSA-N 399.445 3.880 0 40 GHAB CC(C)Oc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)c3ccccc3)CC2=O)cc1 13999482 UAOYCXSYFCWAJS-MJGOQNOKSA-N 380.488 3.747 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 17078800 QDQRSZMTRJCVOT-UHFFFAOYSA-N 386.407 3.813 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4ccc(F)cc4)[C@H]23)cc1 19019352 HEBLBMMBALKCND-DNVJHFABSA-N 382.479 3.813 0 40 GHAB O=C(c1ccccc1F)N1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 19347606 VNNITNJCVJSAOW-SFHVURJKSA-N 397.277 3.624 0 40 GHAB O=C(COc1ccccc1F)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 19350205 OZDPILDIGUDGOV-CYBMUJFWSA-N 387.436 3.722 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cc(C)no3)cc2n1 19522297 IIWIQEQDLZHXRE-ZDUSSCGKSA-N 393.369 3.584 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cc2)n1 19656073 JJLAPGBZJVPFSI-QFIPXVFZSA-N 390.487 3.706 0 40 GHAB CCCc1cc(C(=O)N2CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)no1 19704725 KPQJRIRYVQEBFA-CQSZACIVSA-N 398.438 3.698 0 40 GHAB Cc1c(NS(=O)(=O)c2ccc(F)cc2)cccc1-c1ccc(C(=O)O)o1 226353248 KXGPZTHRKSEFKV-UHFFFAOYSA-N 375.377 3.893 0 40 GHAB CC[C@@H](NCc1cc(Br)cnc1OC)c1ccc2c(c1)OCCO2 660188509 IULIPIOIVFWHOF-OAHLLOKOSA-N 393.281 3.865 0 40 GHAB Cn1cnc(CN2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)c1 257291279 QGIRIGKNBICLEM-AZUAARDMSA-N 387.911 3.968 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2cccs2)cc1 3557980 HHNPTZNWYLGAJK-UHFFFAOYSA-N 386.498 3.503 0 40 GHAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cnc2ccccc2c1 21136473 VNYCJHMIFSMDBX-LJQANCHMSA-N 379.485 3.725 0 40 GHAB O=C(c1ccccc1Cl)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909381 ZXYFOAUKONTZQK-FQEVSTJZSA-N 377.843 3.915 0 40 GHAB COc1cccc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)n1 2037988461 LDKYLZQBOYSEDV-JOCHJYFZSA-N 383.467 3.893 0 40 GHAB COC(=O)c1c(NC(=O)c2ccc3c(c2)OCCO3)sc2c1CC[C@@H](C)C2 6409626 LPEPCOMRCNSHND-LLVKDONJSA-N 387.457 3.683 0 40 GHAB O=C(CC1=CCCCC1)N1CCC2(CCCN(C(=O)c3cscn3)C2)CC1 2055773095 VSONCCWMTVGYGL-UHFFFAOYSA-N 387.549 3.878 0 40 GHAB CCCCCNC(=O)c1sc(-c2nnn(-c3ccc(OC)cc3)c2C)nc1C 38654938 AWBZWFFZRKADHW-UHFFFAOYSA-N 399.520 3.936 0 40 GHAB Cc1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(-c3cccs3)s2)c1 585148290 WLAQSPAKQVYPPI-CQSZACIVSA-N 386.498 3.573 0 40 GHAB COc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O 5440328 SSPJICILXUJMSB-UHFFFAOYSA-N 389.249 3.837 0 40 GHAB CCOc1cc2c(cc1CNC(=O)c1cccc(Cn3ccnc3)c1)O[C@H](C)C2 40115477 ZRQUKZOTMNHZTM-MRXNPFEDSA-N 391.471 3.584 0 40 GHAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1N1CCCC1=O 30502761 DADAWVOJZGWJKS-MRXNPFEDSA-N 381.476 3.878 0 40 GHAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(O)c(OC)c2)c(OC)c1 40266628 DJCDKCXQKDQWBF-AWEZNQCLSA-N 395.415 3.727 0 40 GHAB O=C(NCCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1)c1ccco1 8429327 PDZLWNMNDWGYQU-OAHLLOKOSA-N 383.473 3.763 0 40 GHAB COc1ccccc1NC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O 809741 UMBVVHBOCWXJRJ-UHFFFAOYSA-N 388.423 3.617 0 40 GHAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)Sc1ccc(C)cc1 32716607 XSQRPKWMCYHXDJ-QRWLVFNGSA-N 396.512 3.857 0 40 GHAB COc1cc([C@H]2C[C@@](C)(OC)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 1591360 DSHYVNYWJOQSQQ-SZNDQCEHSA-N 388.416 3.718 0 40 GHAB CC(=O)N[C@H](Nc1nnc(-c2ccc(C)cc2)s1)C(Cl)(Cl)Cl 4248227 BLQOUUOASSZVOG-LLVKDONJSA-N 379.700 3.758 0 40 GHAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccc(OC)cc3)C2)cc1 4976675 VMLBNIRLCZVXIJ-FQEVSTJZSA-N 396.443 3.636 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O 6302642 HTLRMDJRPQTBKN-OAHLLOKOSA-N 380.469 3.993 0 40 GHAB O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1cccc(Cl)c1 6528991 WULNUAHOYBSRJX-LFIBNONCSA-N 386.860 3.806 0 40 GHAB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1)C(=O)c1ccccc1 7881635 FTEUXXNTOLQLIS-MOPGFXCFSA-N 379.456 3.861 0 40 GHAB CSc1ccc(Cl)c(C(=O)NCc2ccccc2CN2CCOCC2)c1 21935063 JVOOMEPRAJWTJL-UHFFFAOYSA-N 390.936 3.824 0 40 GHAB CCCOc1ccnc(SCC(=O)Nc2c(F)c(F)cc(F)c2F)n1 2790248 QLEILHZTSIBUIW-UHFFFAOYSA-N 375.347 3.553 0 40 GHAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 10407136 GAOSERZAPPVGLR-UHFFFAOYSA-N 392.908 3.696 0 40 GHAB C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1nc(-c2ccccc2)no1 53048799 WUPMNPRJKQXLMH-AWEZNQCLSA-N 393.472 3.717 0 40 GHAB Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Cl)cc1 8433691 AJGCSTMEJUHXMK-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 8499064 OYWFCSJPKFQTTE-UHFFFAOYSA-N 384.860 3.664 0 40 GHAB C[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F 42046477 TZIUUUKQLBUQNI-JQWIXIFHSA-N 382.844 3.874 0 40 GHAB COc1ccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)c(OC)c1 785808 CCECRZWTERUONP-UHFFFAOYSA-N 382.504 3.574 0 40 GHAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc(Oc2cnccn2)cc1 47187357 WAJOYHFYNONUOW-HNNXBMFYSA-N 386.411 3.723 0 40 GHAB COc1ccccc1CCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1 12391855 TUIKNUXPGZKCJK-UHFFFAOYSA-N 391.349 3.737 0 40 GHAB C/C=C/C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)o1 9062272 FJYQLQPTFUTEIZ-ZZXKWVIFSA-N 378.388 3.512 0 40 GHAB Cc1ccc(CN2CCC(C(=O)NCCCN3CCc4ccccc43)CC2)cc1 9062605 UBRJAPZWFUKZGM-UHFFFAOYSA-N 391.559 3.776 0 40 GHAB Cn1nc(CC(=O)OCc2ccc(-c3ccccc3)cc2)c2ccccc2c1=O 23299661 BPQOLMCHLNILJR-UHFFFAOYSA-N 384.435 3.886 0 40 GHAB Cc1ccc(NC(=O)c2nnc(COC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)s2)cc1 104864527 BTHJHPKTZUWDRK-SOUVJXGZSA-N 385.489 3.968 0 40 GHAB O=C(Cc1cc(O)nc(SCc2cccc(Cl)c2)n1)NC1CCCC1 23138274 WCMRSRUDLJTQQH-UHFFFAOYSA-N 377.897 3.729 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1ccccc1Br)c1cccc(F)c1 12549559 DCSPOBHLIKJBOW-INIZCTEOSA-N 388.240 3.841 0 40 GHAB CC(C)[C@@H](NCC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 57387977 YSPKJTVVGOXYGP-LJQANCHMSA-N 394.924 3.669 0 40 GHAB CCOc1cc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2cccnc2)ccc1OC 100148529 BIJHRSLOPPGMTG-WOJBJXKFSA-N 382.504 3.609 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccccc2OC)c(-c2cccc(Cl)c2)n1 57527464 VMKNEKDDVRYXMI-UHFFFAOYSA-N 397.862 3.773 0 40 GHAB C[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)N1CCc2ccccc21 57992265 DJHJYBAYVINAGR-IBGZPJMESA-N 377.532 3.740 0 40 GHAB Cc1cc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c2ccccc2n1 58175332 QBDDJLMNHMYQAB-UHFFFAOYSA-N 379.504 3.844 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1cccc(F)c1 105093584 CEUFMPBHAYYMGW-INIZCTEOSA-N 376.840 3.582 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 20765908 JFFMJOJZDSNJJP-INIZCTEOSA-N 386.517 3.665 0 40 GHAB O=C(NCc1ccc(F)c(Cn2ccnc2)c1)c1cc2ccccc2cc1O 36396870 MXZNTHGDYPAFPH-UHFFFAOYSA-N 375.403 3.859 0 40 GHAB Cc1cccc(OCCCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1 3329092 ZSZHITLYDUAHBH-UHFFFAOYSA-N 381.881 3.850 0 40 GHAB C[C@@H](CNS(=O)(=O)c1ccc2ccccc2c1)N1CCc2ccccc2C1 28322627 XBAOYBAZPPBOGO-KRWDZBQOSA-N 380.513 3.565 0 40 GHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cc1cccs1 3310380 LBSBZHNAWCVHDO-UHFFFAOYSA-N 390.505 3.563 0 40 GHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 3363783 BKMGCPLOOMRCBU-CYBMUJFWSA-N 381.259 3.594 0 40 GHAB C[C@H](NC(=O)CNC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl 12785762 WMADCZZIMMVTNN-LBPRGKRZSA-N 380.275 3.670 0 40 GHAB O=C(COc1ccc2ccccc2c1)N1CCC[C@@H](c2nnc3ccccn23)C1 12801512 AQCNGULMGXAHGS-LJQANCHMSA-N 386.455 3.668 0 40 GHAB O=C(CCNC(=O)c1ccc(Br)cc1)NC1CCCCCCC1 12996352 VBBMKNYPELWTJV-UHFFFAOYSA-N 381.314 3.798 0 40 GHAB COc1cccc([C@@H]2CCCN2Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 8754624 RPELGHVTGBDHGX-INIZCTEOSA-N 381.501 3.819 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)c1 64089925 LSRANXGTOFRTHI-UHFFFAOYSA-N 387.486 3.798 0 40 GHAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1Cl 13714511 CEHAGZWHKVYEMF-UHFFFAOYSA-N 393.270 3.647 0 40 GHAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)NC[C@@H]1CCCO1 4393717 JTCLTPKIZCWODJ-INIZCTEOSA-N 379.485 3.684 0 40 GHAB Cc1c(NC(=O)CCCOc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 13997636 XUSHARNICHFOKV-UHFFFAOYSA-N 399.878 3.936 0 40 GHAB CCN(C(=O)CN1C(=O)N[C@@](C)(CCC(C)C)C1=O)c1cccc2ccccc12 8886107 DHQWTEPGPUOWNZ-QHCPKHFHSA-N 395.503 3.939 0 40 GHAB CN(CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)Cc1ccsc1 14093337 AZJMKKADUFFJON-UHFFFAOYSA-N 395.532 3.804 0 40 GHAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2nc3c(F)cc(F)cc3s2)CC1 14163371 WOSXEYHVLSAJQO-UHFFFAOYSA-N 381.448 3.798 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ncc(Cl)cc1Cl 14164248 ZFTRKHHVGHBSGI-UHFFFAOYSA-N 384.292 3.923 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)N[C@H](C)c3ccc(C)c(C)c3)C(=O)[C@@H]2C)cc1 14264140 ZLEBBHOMWJFLSX-MSOLQXFVSA-N 393.487 3.646 0 40 GHAB Cc1ccc2nc3c(c(C(=O)O[C@H](C)C(=O)Nc4cc(C)no4)c2c1)CCCC3 14567566 UBGIPEBAIZHTNX-CQSZACIVSA-N 393.443 3.902 0 40 GHAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2F)N3)C1 6732639 FGYPRASCGCFVSV-OAHLLOKOSA-N 375.425 3.831 0 40 GHAB Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1 6760101 XYHQOMIJRVAOMY-UHFFFAOYSA-N 385.489 3.791 0 40 GHAB CCN1CCN(C(=O)CC2CCN(Cc3csc4ccccc34)CC2)CC1 66568520 MMHFKAFSWIZAEV-UHFFFAOYSA-N 385.577 3.668 0 40 GHAB C[C@H](NC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 19310354 LGONGOBRFKXYTJ-XJKSGUPXSA-N 393.505 3.596 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1OCC 67197645 QDAASQLGDQXQGY-INIZCTEOSA-N 385.460 3.827 0 40 GHAB Cc1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)n1Cc1ccccc1 5982332 OYKUFZWVMSLERP-ZDUSSCGKSA-N 377.473 3.725 0 40 GHAB COc1ccc(CCNC(=O)CSc2nccn2-c2cc(C)cc(C)c2)cc1 7058213 XHUFSTFLSYFNDF-UHFFFAOYSA-N 395.528 3.949 0 40 GHAB O=C1c2ccccc2N[C@H](c2cnn(Cc3ccccc3)c2)N1C[C@@H]1CCCO1 9471074 YIQVQSPDVGNSDQ-UGKGYDQZSA-N 388.471 3.677 0 40 GHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2nc(C(C)(C)C)cs2)CC1=O 7814012 BDGGCJRYPHZQMM-ZDUSSCGKSA-N 387.505 3.831 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3nc(C(C)(C)C)cs3)CC2=O)cc1 7814052 KZYMYPPBXSGBDX-ZDUSSCGKSA-N 387.505 3.831 0 40 GHAB CCOc1ccc(CCNC(=O)CN[C@H]2CCCc3ccccc32)cc1OCC 16694757 RWQURJNLKATSDF-NRFANRHFSA-N 396.531 3.810 0 40 GHAB CCC(CC)NC(=O)COC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 9248642 FXFSIPRUXFDADJ-UHFFFAOYSA-N 377.872 3.604 0 40 GHAB COc1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)c(OC)c1 16960942 TXUNVSMRWJSUOK-UHFFFAOYSA-N 394.456 3.816 0 40 GHAB CC(=O)NCc1ccc(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 8499755 JJLDBWIJIGGTKF-UHFFFAOYSA-N 387.435 3.815 0 40 GHAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C 84028543 ORYORQSOEDENGR-MRXNPFEDSA-N 391.924 3.626 0 40 GHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc(F)c(F)c1 9856017 XFBRHYRHJYLERT-UHFFFAOYSA-N 389.427 3.713 0 40 GHAB CS(=O)(=O)c1cccc(OCCN[C@@H]2CCC[C@H]2c2ccc(F)cc2)c1 97141104 KXYPXRFWYPCBLP-VQTJNVASSA-N 377.481 3.534 0 40 GHAB O=C1CC[C@H](C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CN1 84339063 FKNATWDNPXQNKX-JTQLQIEISA-N 384.288 3.505 0 40 GHAB C[C@@H](NC(=O)Nc1ccccc1OC[C@@H]1CCCCO1)C(C)(C)CN(C)C 79062313 HBXWYUWTEBNARM-SJORKVTESA-N 377.529 3.732 0 40 GHAB O=C1CC2(CCCCC2)C(=O)N1C[C@H](O)COc1ccc(-c2ccccc2)cc1 21576579 VWLDBFKCCRZWAH-FQEVSTJZSA-N 393.483 3.803 0 40 GHAB C[C@@H](CO)CCCNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 89895388 PHUIHJLTCVSSQI-CQSZACIVSA-N 387.867 3.924 0 40 GHAB CC(C)CC(=O)Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1 408527554 DQPUKDJABZZMFM-UHFFFAOYSA-N 393.491 3.580 0 40 GHAB COc1ccc(Cc2nnc(C3CCN(C(=O)c4ccco4)CC3)s2)cc1 35597006 WSQUKRJWULRZKH-UHFFFAOYSA-N 383.473 3.750 0 40 GHAB O=C(Cn1ncc(=O)c2ccccc21)N1CCCc2c(Cl)ccc(Cl)c21 1525411079 NLICECVSNPZDFP-UHFFFAOYSA-N 388.254 3.683 0 40 GHAB NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 72358391 KHMFNGYMNOTZDX-IBGZPJMESA-N 390.462 3.761 0 40 GHAB COCCN1CCCc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc21 35588231 CXMOBUIPDBFAMX-UHFFFAOYSA-N 388.533 3.812 0 40 GHAB CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1C[C@@H]1CCCO1 35312406 NOCJXVQTJSZSFB-INIZCTEOSA-N 388.537 3.757 0 40 GHAB Cc1cccc(CN2CCC(C(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)CC2)c1 39754585 PHHBRCQYBSRHBY-SFTDATJTSA-N 385.596 3.691 0 40 GHAB CCOc1cc(CNCCCO)cc(Br)c1OCc1ccccc1 36612314 HVTGLHWBEBPGIM-UHFFFAOYSA-N 394.309 3.899 0 40 GHAB C[C@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 31860872 HUHDVMDXIICRPL-LACYOAMESA-N 381.428 3.726 0 40 GHAB CN(Cc1ccccn1)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCN3)CC1 561046221 JJRFXNPKGBLDEN-NRFANRHFSA-N 393.535 3.958 0 40 GHAB O=C(Nc1ccc(-c2nncs2)cc1)N1C[C@@H](CO)[C@H](c2ccsc2)C1 563120088 ZDFOWKDRWNZICO-HOCLYGCPSA-N 386.502 3.506 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C 223879742 YOOWLAWIROOVMZ-GOSISDBHSA-N 384.495 3.929 0 40 GHAB CS(=O)(=O)N[C@H](CC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1 225950855 PFTCQEUYVNOZGN-OAHLLOKOSA-N 387.288 3.613 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 225350697 HIAIIBWWZIIMKG-RBUKOAKNSA-N 396.531 3.960 0 40 GHAB C[C@@H](C(=O)Nc1cccc2ccccc12)N(c1ccccc1F)S(C)(=O)=O 220294881 YANRCUSIYGVREO-AWEZNQCLSA-N 386.448 3.772 0 40 GHAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)cc1 223903918 KQLAEHUETWEIHV-VQTJNVASSA-N 377.517 3.663 0 40 GHAB COc1cc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc(OC)c1OC 225682288 LAUMROVUYZMFCK-HNNXBMFYSA-N 399.487 3.675 0 40 GHAB CCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC1 44838629 QSGAGWRLGJUXCT-UHFFFAOYSA-N 390.487 3.746 0 40 GHAB CCOC(=O)C1(NC(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)CCCCC1 40134638 YZTUBRUPIORADE-MDZDMXLPSA-N 395.931 3.896 0 40 GHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)c(OC)c1 224795435 RKJKEKRIAJOPCM-MOPGFXCFSA-N 380.473 3.604 0 40 GHAB COc1ccc(NC(=O)[C@]2(C)Cc3ccc(C)cc3C(=O)O2)c2ncccc12 1585292229 XNBIJVIMDJMQIS-QFIPXVFZSA-N 376.412 3.662 0 40 GHAB Cc1cccnc1CN1CCN(Cc2nc(-c3cc(F)ccc3F)oc2C)CC1 22914386 HVCDZEDCXVLGJP-UHFFFAOYSA-N 398.457 3.949 0 40 GHAB COC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257348813 JBYDGFJFASWXRX-TXJCPKIUSA-N 392.536 3.865 0 40 GHAB Cc1cc(C)nc(Nc2ccc([C@@H]3CN(CCc4ccccc4)CCO3)nc2)n1 257339444 ZBTLXSPUGAAMEG-QFIPXVFZSA-N 389.503 3.848 0 40 GHAB COc1ccc(-c2n[nH]c(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2C)c(OC)c1 253599485 LUAUPIPRNGRNBV-LDDOYCOJSA-N 383.492 3.957 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)n1 257221913 DRBTWCPMQVOSOU-HXUWFJFHSA-N 396.466 3.972 0 40 GHAB CN1C[C@H](C(=O)N(Cc2ccccc2Cl)CC2CC2)c2ccccc2C1=O 585082218 GKRRAAULIGTSRQ-IBGZPJMESA-N 382.891 3.948 0 40 GHAB CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(C(=O)CCCc4cn[nH]c4)[C@@H]3C[C@@H]21 257313711 UTTAJMISHATHED-GXKRZCMTSA-N 395.503 3.651 0 40 GHAB CCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)sc1-c1ccccc1 585152243 FVVJQPZGOQKBMU-UHFFFAOYSA-N 386.498 3.877 0 40 GHAB Cc1noc(NC(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)n1 666602334 UZMANDJFXPJYHO-INIZCTEOSA-N 384.358 3.906 0 40 GHAB COc1cc2nc(N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)[nH]c(=N)c2cc1OC 509475100 GNRZWVQCPVZTNQ-OAHLLOKOSA-N 396.413 3.618 0 40 GHAB O=C(NCCn1nc(C2CC2)cc1C1CC1)C1(c2ccccc2)CCOCC1 585299924 BCEDSGUORBFEQI-UHFFFAOYSA-N 379.504 3.503 0 40 GHAB CC(=O)OCc1c(Cl)ccnc1N1CCn2cc3c(c2C1=O)CCCCC3 1857793265 FUNSRZPGJSEGAS-UHFFFAOYSA-N 387.867 3.529 0 40 GHAB CCOC(=O)[C@H](CC(=O)Nc1nc(C(C)=O)c(C)s1)[C@@H](C)c1ccccc1 5015711 NAPVPXHJOKEVDL-BLLLJJGKSA-N 388.489 3.966 0 40 GHAB CSc1ccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 16779408 ZWEJPONLOWAOAI-AAMUTCKCSA-N 377.494 3.591 0 40 GHAB COc1ccc(-n2[nH]c3[nH]c(-c4cccc5ccccc45)cc(=O)c3c2=O)cc1 17078266 IPPNHZGPKNVDLG-UHFFFAOYSA-N 383.407 3.836 0 40 GHAB Fc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1 19347819 LRGABEBUMZHZBE-OAQYLSRUSA-N 398.530 3.577 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccccn3)cc2n1 12230535 IQZQEXVOQPOVFT-HNNXBMFYSA-N 389.381 3.683 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C4CC4)s3)CC2)cc1C 23140873 QCNRMVJGHOVMNE-UHFFFAOYSA-N 377.535 3.601 0 40 GHAB Cc1ccccc1-c1nnn(CC(=O)N2CC[C@@H](C)Sc3ccccc32)n1 4762899 JRLSISJTGWLHPJ-OAHLLOKOSA-N 379.489 3.566 0 40 GHAB O=c1c2ccc(Cl)c(F)c2nc(O)n1Cc1ccc(Br)cc1 1565504775 FWVIWPLKVVVDOW-UHFFFAOYSA-N 383.604 3.705 0 40 GHAB CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(F)c3)ccc21 8840940 STEWLPNKBOUQHS-UHFFFAOYSA-N 390.480 3.952 0 40 GHAB O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 9038989 TYEIBUDKLSMVQM-CYBMUJFWSA-N 377.366 3.880 0 40 GHAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 10218483 FWQQCRKWHSEXIN-CQSZACIVSA-N 392.546 3.769 0 40 GHAB O=C(C1CCCC1)N1CCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 13696330 KASLPXAJPAAURP-UHFFFAOYSA-N 398.528 3.750 0 40 GHAB Fc1cnc(N2CC[C@@]3(CN(Cc4ccc(F)c(F)c4)CCC3(F)F)C2)nc1 2055806586 PIJYMUCYSNRKST-GOSISDBHSA-N 398.379 3.632 0 40 GHAB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@@H](C)C2)cc1 23157278 WWATUSHQVSRAIO-AHIWAGSCSA-N 386.521 3.881 0 40 GHAB Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CCS1 219305499 INORRLQUBBQRRX-FQEVSTJZSA-N 389.542 3.799 0 40 GHAB CCOc1ccc(CC(=O)NC[C@@H](c2ccsc2)n2nc(C)cc2C)cc1 585148104 XWMGGVIXBREIBI-FQEVSTJZSA-N 383.517 3.908 0 40 GHAB CCOc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3cccc(O)c3)C[C@H]21 10214565 WKUMOVCDMHNWCB-HXUWFJFHSA-N 393.487 3.756 0 40 GHAB Cc1cc(=O)oc2c(C)c(OC(=O)[C@@H](C)NC(=O)OCc3ccccc3)ccc12 6167553 CLZUDOCSHIPPGG-OAHLLOKOSA-N 395.411 3.630 0 40 GHAB biogenic O=c1c2ccsc2ncn1C[C@H](O)Cn1c2ccccc2c2ccccc21 24591307 XDQIFGIBDSZTBA-AWEZNQCLSA-N 375.453 3.627 0 40 GHAB O=C(OCC(F)(F)F)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1 20404827 JBVPUSLIHNAMHI-UHFFFAOYSA-N 399.800 3.781 0 40 GHAB CCN1CCC[C@@H]1CN/C=C1/C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21 20519333 WARNGSUBAHMZIU-NDWLXSOOSA-N 389.499 3.597 0 40 GHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(OC(F)F)cc1 32753847 BWKPBRIDPNJWFX-GFCCVEGCSA-N 383.416 3.525 0 40 GHAB CCOC(=O)c1ccc2nc(NC(=O)c3ccc(OC(C)=O)cc3)sc2c1 887954 CTNFVZZMCFIOFQ-UHFFFAOYSA-N 384.413 3.651 0 40 GHAB CCOC(=O)C(C)(C)Sc1nnc(COc2ccc(Cl)cc2)n1CC 916891 DQMGLDPEFRLALQ-UHFFFAOYSA-N 383.901 3.964 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CN2c3ccccc3CC[C@@H]2C)c(C)c1 21472887 NLDWSZYDZXDXBO-SFHVURJKSA-N 379.504 3.508 0 40 GHAB O=C(CCN1CCC(C(=O)N2CCCC2)CC1)Nc1cccc2ccccc12 32870933 HKVDFKGOZOPTRN-UHFFFAOYSA-N 379.504 3.503 0 40 GHAB COc1cc2c(cc1OC)-c1cc(OCc3ccccc3Cl)nc(=O)n1CC2 2337850 BHRAOYOJPUDSCY-UHFFFAOYSA-N 398.846 3.716 0 40 GHAB CCOc1ncccc1CNC(=O)N[C@@H](C)c1cccc(Br)c1 32803358 LSUUZXLSXMVAOQ-LBPRGKRZSA-N 378.270 3.803 0 40 GHAB CCc1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)n1-n1cccc1 4518439 YNUUEKVVATYYCG-UHFFFAOYSA-N 396.303 3.991 0 40 GHAB CCOc1ccc(CNC(=S)Nc2ccc(OC)c(OC)c2)cc1OCC 6935362 XHMKBGGOLSNLDD-UHFFFAOYSA-N 390.505 3.988 0 40 GHAB COC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C)cc1 675003 CCJACVYRUNBCRA-UHFFFAOYSA-N 378.222 3.562 0 40 GHAB CCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2cccc(OC)c2)cc1 714654 IMDRHJWBLIYNEF-IBGZPJMESA-N 392.377 3.867 0 40 GHAB O=C(Cc1cnc(-c2ccc(F)cc2)s1)NC[C@@H]1CCCN2CCCC[C@H]12 12296926 FVRBDNNBYUJKHE-QFBILLFUSA-N 387.524 3.872 0 40 GHAB biogenic COC(=O)c1c(NC(=S)NC(=O)c2ccccc2F)sc2c1CCCC2 849485 RCDKBPGSWLKVTI-UHFFFAOYSA-N 392.477 3.679 0 40 GHAB CCOc1ccc(-c2noc(CN3CCc4c(cccc4NC(C)=O)C3)n2)cc1 54392775 XOCWFXQBSGADNO-UHFFFAOYSA-N 392.459 3.652 0 40 GHAB CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccccc1 2890443 AGFOKCPQFCOTEL-SFHVURJKSA-N 382.847 3.553 0 40 GHAB Cc1ccc2[nH]cc(CCn3c(C)c4c(=O)n(-c5ccccc5)[nH]c4cc3=O)c2c1 12390190 CRUDGOPIJWHKKQ-UHFFFAOYSA-N 398.466 3.821 0 40 GHAB CCN(Cc1ccc(Cl)s1)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C 24440417 VIMAOSIPSJQHAB-STQMWFEESA-N 383.945 3.928 0 40 GHAB Nc1nc(SCc2cc(=O)n3c(n2)sc2ccccc23)nc2sccc12 24772863 DWVSZBJIHXAPQB-UHFFFAOYSA-N 397.510 3.788 0 40 GHAB COc1ccc(-c2noc([C@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)cc1 1362681 HIKMWHSMRIVWPM-SFHVURJKSA-N 377.444 3.694 0 40 GHAB Cc1sc2nc(-c3cccnc3)nc(NCCCN3CCOCC3)c2c1C 25480786 QDPRVDYQHHIMFT-UHFFFAOYSA-N 383.521 3.504 0 40 GHAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cccs4)c3)nn12 10010278 NCWLWHNLZLGQKW-UHFFFAOYSA-N 385.474 3.738 0 40 GHAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCCC1)Nc1ccccc1Cc1ccccc1 58174712 IFMQMWHNIQKFNZ-FYYLOGMGSA-N 393.531 3.900 0 40 GHAB COc1ccc(CN(Cc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 27648923 MZUGJIOZWJWOHX-QGZVFWFLSA-N 379.909 3.538 0 40 GHAB O=C(NCC1(c2ccccc2)CCC1)c1ccc(S(=O)(=O)C(F)F)cc1 10221972 VJYGQNINBXMJCP-UHFFFAOYSA-N 379.428 3.535 0 40 GHAB O=C(Nc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2)cc1)NC1CC1 58218883 QVLHYYYLFGGBJW-UHFFFAOYSA-N 379.395 3.548 0 40 GHAB Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1C[C@@H]1CCCO1 12620947 QAJZBLNNOSZSHJ-AWEZNQCLSA-N 392.550 3.685 0 40 GHAB CC(C)(C)c1ccc(-c2nnc(SCC(N)=O)n2Cc2ccccc2)cc1 3348181 LCDRNYIAVFWTFL-UHFFFAOYSA-N 380.517 3.868 0 40 GHAB Cc1c(NC(=O)Cc2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C 3398282 RNMGLQJXCDWDHX-UHFFFAOYSA-N 390.270 3.972 0 40 GHAB CCCc1nc2ccccc2c(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1CC 3320441 SKSQQPKOYWBOJL-HZPDHXFCSA-N 398.503 3.542 0 40 GHAB Cc1ccc(Cc2cnc(NC(=O)CNC(=O)c3cccc(C)c3)s2)cc1 12784186 NITXZSJOHXGJHO-UHFFFAOYSA-N 379.485 3.719 0 40 GHAB COc1ccc(-c2nc(C(=O)NCC(=O)Nc3c(C)cccc3C)cs2)cc1 12825240 GZHGKHJXQAJECJ-UHFFFAOYSA-N 395.484 3.804 0 40 GHAB CC(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(Br)cc2)c1 12864653 XJXHWEYASAPXFT-LBPRGKRZSA-N 375.266 3.941 0 40 GHAB Cc1ccc(OCCC(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc1 3405231 KKGNCMTYOOPNNB-UHFFFAOYSA-N 397.258 3.956 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)C1 13055751 NRXKMDGZQKELTD-DTORHVGOSA-N 379.671 3.703 0 40 GHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1ccc(Cl)cc1Cl 13140166 VIHRNUWZZAMMGZ-UHFFFAOYSA-N 377.227 3.906 0 40 GHAB CCS(=O)(=O)c1ccccc1N1CCC(Nc2nc3ccccc3o2)CC1 63992863 MFXUMGNTZHHKPF-UHFFFAOYSA-N 385.489 3.702 0 40 GHAB O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)c1ccc2c(c1)CCC2 8703855 CFGPDKMRPBJHGS-XMMPIXPASA-N 388.467 3.532 0 40 GHAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCC(F)(F)F 5172509 SVEUPCXQQXNZGB-HNNXBMFYSA-N 384.785 3.880 0 40 GHAB COc1ccccc1/C=C/c1nn2c(Cn3cnc4ccccc43)nnc2s1 4384029 PCXZJKRAZFXKRR-ZHACJKMWSA-N 388.456 3.763 0 40 GHAB Cc1cccc(C)c1N1C(=O)c2ccc(C(=O)OCC(=O)C(C)(C)C)cc2C1=O 4545579 LBLAKTRUWBTQDL-UHFFFAOYSA-N 393.439 3.876 0 40 GHAB CC[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(Cl)cc1 8751102 XYEJDZKXEVLJMI-QGZVFWFLSA-N 392.908 3.543 0 40 GHAB COc1ccc(-c2nc(CC(=O)Nc3nc(C)cs3)cs2)cc1OC 6578505 RCCGTDUFPHRINL-UHFFFAOYSA-N 375.475 3.773 0 40 GHAB O=c1[nH]c(CNc2ccc(Cl)cc2)nn1Cc1cccc(C(F)(F)F)c1 66087513 HJTLEQLEQVQWNB-UHFFFAOYSA-N 382.773 3.904 0 40 GHAB C[C@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)N1C(=O)c2ccccc2C1=O 5531361 PNALXHBENFFHQW-GOSISDBHSA-N 398.462 3.900 0 40 GHAB COc1cccc(OC)c1C(=O)OCC(=O)c1ccccc1Br 6640132 BUZTWBYOPLAEQF-UHFFFAOYSA-N 379.206 3.506 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)c1 4736491 WVYMEHJQPVCNAT-UHFFFAOYSA-N 386.452 3.669 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(Cc1cccnc1)C3=O 8846258 BOQXZDDRUBFZBF-OAQYLSRUSA-N 398.418 3.947 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)c(OC)c1 15334198 WYVXOUMSXBYKEE-IBGZPJMESA-N 375.490 3.846 0 40 GHAB COc1ccc(CC(=O)Nc2cccc(Br)c2)c(OC)c1OC 7069808 DJZWKLIYNJYJAM-UHFFFAOYSA-N 380.238 3.656 0 40 GHAB Cc1ccc(/C=C/C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1 7000128 IWUGJMMGUCAGDF-RMKNXTFCSA-N 399.244 3.522 0 40 GHAB O=C1CCCN1c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 7726716 VLQYPFXMHOFRGB-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB C[C@@H](NC(=O)CSc1nnc(-c2cccnc2)n1C)c1cc2ccccc2o1 8272144 UROVILSZDIYHOR-CYBMUJFWSA-N 393.472 3.593 0 40 GHAB CCc1cccc2c(C(=O)CSc3nnnn3Cc3cccs3)c[nH]c12 8232466 ZVVPUZXYIDYSNQ-UHFFFAOYSA-N 383.502 3.802 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2[C@@H](CC)c2ccccc2)cc1 71844428 KMBPBIOUFFBYEW-FCHUYYIVSA-N 394.515 4.000 0 40 GHAB CN(C)C(=O)Cn1ccc2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)ccc21 83844122 BMUZOUGFBJGTQQ-UHFFFAOYSA-N 378.407 3.602 0 40 GHAB O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1OC1CCC1 72314241 ZXSFFIOKOHTMRL-UHFFFAOYSA-N 380.488 3.827 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCC1CCCCCCC1 84335585 XFTVYALGXFKVGE-UHFFFAOYSA-N 378.822 3.997 0 40 GHAB C[C@H](CNC[C@@H](O)COc1ccc(F)cc1)c1cccc(Br)c1 84640040 DQURLFNALPQALH-CXAGYDPISA-N 382.273 3.721 0 40 GHAB CC(C)(C)OC(=O)NC[C@@](C)(NCC(=O)Nc1cc(Cl)ccc1F)C1CC1 79105468 GUVAGUNRGBIKCY-LJQANCHMSA-N 399.894 3.701 0 40 GHAB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCCCC2)c1 79112484 MHKOJNDTBYODLS-IBGZPJMESA-N 383.517 3.920 0 40 GHAB C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 62580811 QLUZFWRFVCUDMF-ZDUSSCGKSA-N 390.365 3.542 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC(C(C)C)C(C)C 20061635 CYVKAHBGMKAJPX-UHFFFAOYSA-N 394.581 3.970 0 40 GHAB O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)C1(c2ccc(Cl)cc2)CCCC1 89783079 LFLYVYAJCOCPJT-RTBURBONSA-N 376.928 3.521 0 40 GHAB O=C(CN(C1CC1)[C@H]1CCc2ccccc21)Nc1ccc(Br)cn1 89858106 OPDOOJGFUFXYGQ-KRWDZBQOSA-N 386.293 3.935 0 40 GHAB COC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1 21462486 VBOSUSHXRMZURO-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2C)c1 408544703 IUJPJBRAZAVMIM-UHFFFAOYSA-N 398.484 3.936 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C(C)=O)s1 25174947 QHAIFMZHGZTDAW-UHFFFAOYSA-N 389.864 3.503 0 40 GHAB O=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc2c(c1)OCCO2 28230825 MTQYEMQELUKTMX-UHFFFAOYSA-N 381.354 3.579 0 40 GHAB CCOC(=O)c1c(NC(=O)CSCCO)sc2c1CC[C@H](C(C)(C)C)C2 408599065 DFWVDEOUCPZTPN-LBPRGKRZSA-N 399.578 3.740 0 40 GHAB Cn1cc(C(C)(C)NC(=O)NCc2ccc(OCc3ccccc3F)cc2)cn1 547418720 INNDKUGEJVJSHI-UHFFFAOYSA-N 396.466 3.873 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(C2CCCCC2)n1N 54138246 JDLKAAUMSOWWSL-UHFFFAOYSA-N 379.917 3.732 0 40 GHAB COC(=O)c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)nn1C 1544531009 KRCPSTYKTCTBQG-UHFFFAOYSA-N 385.445 3.505 0 40 GHAB O=S1(=O)CCC[C@H](Cc2nc(C3(c4ccc(F)cc4F)CCCC3)no2)C1 556341025 AEFLURLHSSQCPX-CYBMUJFWSA-N 396.459 3.575 0 40 GHAB CC(C)(C)C(=O)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1 33068218 WQVWKYUVAWIPFB-UHFFFAOYSA-N 385.851 3.912 0 40 GHAB O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1cccc(OC(F)(F)F)c1 31722440 LSSGYSAOAOCYLB-UHFFFAOYSA-N 397.378 3.631 0 40 GHAB O=C(Cn1nc(Br)nc1Br)c1ccc2ccccc2c1 71978762 JPSCSCJXOFNEOM-UHFFFAOYSA-N 395.054 3.839 0 40 GHAB COc1cc(Br)c2oc(-c3cc(-n4cnnc4)ccc3O)nc2c1 45920617 IOYNEYVGGJDYPX-UHFFFAOYSA-N 387.193 3.552 0 40 GHAB CC(C)Oc1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222498114 IFNHGTGMNNSUHM-UHFFFAOYSA-N 396.896 3.775 0 40 GHAB CC(C)NC(=S)Nc1nc(N2Cc3ccccc3C2)cc(C(F)(F)F)n1 225890155 YKCQLCRYQQYRTK-UHFFFAOYSA-N 381.427 3.710 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC(=O)Oc1ccccc1Cc1ccccc1 40069537 XXNSQZMBGRRIMQ-UHFFFAOYSA-N 384.435 3.901 0 40 GHAB c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)cc1 49155296 VKKFGXZOAIWEGA-FQEVSTJZSA-N 384.443 3.926 0 40 GHAB biogenic,in-vitro CSc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)c(Cl)c2)cc1 224984741 FMAMNLCFKFOYMX-UHFFFAOYSA-N 385.894 3.650 0 40 GHAB Cn1ccnc1[C@H]1N(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1(C)C 575971326 SQVJPHHLYFRIQO-CQSZACIVSA-N 381.402 3.513 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 224879044 LOQCRLHSZIGTKD-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB Cc1ccc(N2C[C@@]3(CCN(C(=O)c4cccc5cccnc45)C3)CC2=O)cc1 96077384 BLRNAMAWGJNXGJ-DEOSSOPVSA-N 385.467 3.812 0 40 GHAB C[C@@]1(c2nc(-c3cccc4sc(C(F)(F)F)nc34)no2)CCC(=O)NC1 580633316 ANXHCKICXYOHHC-OAHLLOKOSA-N 382.367 3.533 0 40 GHAB Cn1ccc(CCC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)n1 585085836 DDMNAAHKLTTYTH-INIZCTEOSA-N 384.480 3.809 0 40 GHAB Cc1ccncc1CC(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 612684109 XNEXTWUFKQRGNY-OAQYLSRUSA-N 389.503 3.523 0 40 GHAB Cc1noc2ncc(C(=O)Nc3ccc(C(=O)N4CCCCCC4)cc3)cc12 58406731 LGYSCIJIRLYZCH-UHFFFAOYSA-N 378.432 3.800 0 40 GHAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(-c2cn[nH]c2)c1)C(C)C 89689112 MWSKAXVYZJKKCL-FQEVSTJZSA-N 376.460 3.778 0 40 GHAB C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1 1633802974 IJABWWYVTCILAH-SJCJKPOMSA-N 392.377 3.961 0 40 GHAB O=C1CC[C@](c2ccccc2)(C2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1 2018994 VCMZUKHJKLNFPH-HJKZNEBBSA-N 388.511 3.786 0 40 GHAB in-man Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1N1CCCCS1(=O)=O 5439649 DBWRHORJCBIKBP-MRXNPFEDSA-N 384.501 3.516 0 40 GHAB Cc1nc(COc2ccc(C(=O)OCc3cc(-c4ccco4)on3)cc2)no1 12076950 LTEZMRVWABGVAY-UHFFFAOYSA-N 381.344 3.562 0 40 GHAB CCN(C(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)o1)c1ccccc1 12173582 VEXDHPPTMCKNOT-UHFFFAOYSA-N 399.472 3.899 0 40 GHAB CCn1c(N[C@H]2CC(=O)N(c3cccc4ccccc34)C2=O)nc2ccccc21 12999495 LZVCRNBTKMLTMI-SFHVURJKSA-N 384.439 3.953 0 40 GHAB CCN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccccc1C(F)(F)F 13038647 GPKAFRWSDCMKNQ-UHFFFAOYSA-N 397.372 3.744 0 40 GHAB O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(C2CCCCC2)C1 15675096 BDINYLORAOGYAS-WBVHZDCISA-N 379.863 3.893 0 40 GHAB biogenic,in-vitro CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 15741803 VDFFKLOIDZQNNY-SFHVURJKSA-N 394.924 3.536 0 40 GHAB C[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccc(Cl)cc1Cl 15997105 BHEFRKACNJVYIV-VIFPVBQESA-N 382.272 3.642 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)cc1OC 19078651 BQBXKGXOHZKMTM-YOEHRIQHSA-N 399.443 3.564 0 40 GHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)C2CC2)C1 19212785 GCEOCKMGVOAYGG-VWLOTQADSA-N 390.527 3.969 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)c3noc4c3C[C@@H](C(C)(C)C)CC4)cc2NC1=O 19462189 CZDOEGVADKBFPY-RYUDHWBXSA-N 383.448 3.797 0 40 GHAB CCCC(=O)N1CC[C@](Cc2ccccc2-c2cccc(C)c2)(C(=O)NC)C1 19501051 FVLKXZMNKYOKJT-XMMPIXPASA-N 378.516 3.969 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccccc2Cn2ccnc2)c(OC)c1 19552132 MCOLJFAVJGXDSR-NRFANRHFSA-N 391.471 3.926 0 40 GHAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)c1ccc(N(C)C)cc1)C2 19584805 PEZBBSVBINGAIH-QHCPKHFHSA-N 394.515 3.755 0 40 GHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN(CC(C)(C)C)C2)n1 19694515 YAPQGBHBGXPMKT-GOSISDBHSA-N 395.551 3.534 0 40 GHAB CC(C)(C)c1ccc(C(=O)N[C@H](N2CCOCC2)C(Cl)(Cl)Cl)cc1 19800436 CGGLZNCFRUEMFP-OAHLLOKOSA-N 393.742 3.742 0 40 GHAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 6326885 BTMWOPNDKDTFQK-GZTJUZNOSA-N 388.489 3.522 0 40 GHAB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccccc1F 6348349 ZLKNJQLXAXUUAE-PDGQHHTCSA-N 379.387 3.906 0 40 GHAB Cc1ccc(NC(=O)[C@]23C(=O)Oc4ccccc4[C@@H]2[C@@H]3C(=O)C(C)(C)C)cc1 105043164 RICYKHWFWHJOBY-PNCHPQGNSA-N 377.440 3.868 0 40 GHAB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)oc3cc(C)ccc23)C1=O 5959696 ODRFWQZEDKHWPE-HSZRJFAPSA-N 390.439 3.849 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@H]2CN(c3ncnc4ccsc34)C[C@@H]2C1 1888906657 DTYODAPJVGRSEI-RYUDHWBXSA-N 391.422 3.678 0 40 GHAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2ccccn2)CC1 23424567 RIBFDFODSVYHDF-CYBMUJFWSA-N 379.291 3.538 0 40 GHAB O=C1COC2(CCN(Cc3cnc4ccccc4c3)CC2)CN1c1ccccc1 1137279610 VMOTYGLWLSEUGL-UHFFFAOYSA-N 387.483 3.633 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2nc3ccccc3s2)CC1 23908800 NDHMSBIIFGVSLU-UHFFFAOYSA-N 390.512 3.665 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)sc(C(C)=O)c1C 1102488 BBPQUHIDGLMQMJ-GFCCVEGCSA-N 393.436 3.981 0 40 GHAB COc1ccc([C@@H](CC(=O)Nc2ccc(C)cc2)NC(=O)C(F)(F)F)cc1 3087903 HUQWVJVVOVLDRI-MRXNPFEDSA-N 380.366 3.752 0 40 GHAB aggregator O=S(=O)(NCc1cn2ccsc2n1)c1ccc(Oc2ccccc2)cc1 4004880 PDNBKVMLPWLTIW-UHFFFAOYSA-N 385.470 3.667 0 40 GHAB CSc1ccccc1NC(=O)c1cccn(OCc2ccc(F)cc2)c1=O 4325936 GMXAKIJIMPUJCW-UHFFFAOYSA-N 384.432 3.590 0 40 GHAB O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1cccs1)c1ccccc1 9131221 GOOVUIFPFTZZNV-AWEZNQCLSA-N 383.498 3.803 0 40 GHAB O=C(COc1ccc(Cl)cc1)OCc1cc(-c2ccc3c(c2)OCO3)on1 16838687 XUYZEXSDCWMNFG-UHFFFAOYSA-N 387.775 3.846 0 40 GHAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1 10428945 QXLQYYZGVOZPSY-QFIPXVFZSA-N 379.504 3.609 0 40 GHAB COc1ccccc1CNC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 40149962 UOXSQAYPHCXOAW-UHFFFAOYSA-N 378.476 3.860 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 40103700 LHDZBXDLKAGUES-UHFFFAOYSA-N 386.395 3.876 0 40 GHAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2)n1 32578598 FXNNXTDCGLDNEZ-UHFFFAOYSA-N 381.388 3.606 0 40 GHAB COc1ccc(NC(=O)c2sc(NC(=O)COc3ccccc3)nc2C)cc1 1376055 AQQMGQUVJIXQRR-UHFFFAOYSA-N 397.456 3.730 0 40 GHAB COc1cc(CNc2cccc(CC(=O)OC(C)(C)C)c2)cc2c1OCCO2 78904345 YZNYGWPFEAEZTL-UHFFFAOYSA-N 385.460 3.963 0 40 GHAB Cc1ccc(-n2ncc([C@H](C)NC(=O)[C@@H](C)NC(=O)c3cccs3)c2C)cc1 32827886 UPCNXUOWYWKQOE-LSDHHAIUSA-N 396.516 3.546 0 40 GHAB Cn1ccnc1[C@H](NC(=O)NCCCCc1ccccc1)c1ccc(F)cc1 32802336 FAEDTYABBYKDFW-HXUWFJFHSA-N 380.467 3.971 0 40 GHAB C/C=C/c1cc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc(OC)c1OC 32841802 SKNMOZLXRABDOD-IOMDMTNGSA-N 392.459 3.757 0 40 GHAB CCCc1nnc(NC(=O)CCC(=O)Nc2ccc(Br)cc2)s1 17247546 LVZURPBTEAKTLW-UHFFFAOYSA-N 397.298 3.611 0 40 GHAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCSCc1ccco1 32999764 YZAFWQGDYKJCEY-LBPRGKRZSA-N 384.295 3.859 0 40 GHAB O=C(NCCc1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 32963788 RYQZXYVPZPVGBN-KRWDZBQOSA-N 388.870 3.690 0 40 GHAB CCC[C@@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 6944693 FRPOLDWATACRFJ-QGZVFWFLSA-N 380.554 3.623 0 40 GHAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 7735138 KYVNGSDDFXSPRB-UHFFFAOYSA-N 399.443 3.664 0 40 GHAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1c1ccsc1 52803367 GLCKDGRVVUHGKI-OXQOHEQNSA-N 385.533 3.749 0 40 GHAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N(C)Cc1ccc(OC(F)F)cc1 22381992 JZMMAGGNFHFIJH-SFHVURJKSA-N 396.478 3.968 0 40 GHAB COc1cc(OC)cc([C@@H](NC(=O)Nc2ccc(C)cc2)c2nccn2C)c1 12507641 XHXGJASKKBJIGI-LJQANCHMSA-N 380.448 3.657 0 40 GHAB COC(=O)[C@H](C)Sc1nnc(-c2cccc(OC)c2)n1-c1ccc(OC)cc1 9365311 UMDTVOKBXOVDSF-ZDUSSCGKSA-N 399.472 3.605 0 40 GHAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(NC(=O)C(F)(F)F)cc1 9062170 PUATXSLYLABEGN-UHFFFAOYSA-N 392.362 3.958 0 40 GHAB Cc1nc(-c2cccc(N[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)c2)cs1 12555239 FGHCPUZPQLXRTI-ZDUSSCGKSA-N 395.484 3.964 0 40 GHAB CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1ccccc1F)S(C)(=O)=O 113966900 CKUNLEWNSWPZBH-QGZVFWFLSA-N 378.469 3.626 0 40 GHAB O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ccccc1OC(F)F 3282589 BPYOKNLXNDUKGD-UHFFFAOYSA-N 387.741 3.805 0 40 GHAB COc1cc(CC(=O)N[C@H](c2ccccc2)c2ccccn2)cc(OC)c1OC 12606916 ICYSVCWBLKVIPT-JOCHJYFZSA-N 392.455 3.556 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12607888 YUBVKRLINGQMQS-QGZVFWFLSA-N 388.870 3.690 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)C1 57379134 CEDGRCNVFAYBKW-HUUCEWRRSA-N 390.480 3.745 0 40 GHAB C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)N(C)Cc1ccccc1 57645145 QYDKVEKVVMSZBJ-HNNXBMFYSA-N 385.895 3.926 0 40 GHAB Cc1cccc(C)c1NC(=O)c1sc2ncn(C[C@H]3CCCO3)c(=O)c2c1C 35673337 TXMZHXSFJJTYMU-OAHLLOKOSA-N 397.500 3.815 0 40 GHAB CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 3329344 AQZQGRMQKDTFLA-NRFANRHFSA-N 395.478 3.955 0 40 GHAB CC[C@H]1CCc2c(sc(NC(=O)[C@@]3(C)CC3(Cl)Cl)c2C(N)=O)C1 2088807 MNRXQLYVJIXGFM-VXJOIVPMSA-N 375.321 3.884 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1 24357698 HGJHHIIOBQSAGH-LLVKDONJSA-N 387.379 3.532 0 40 GHAB O=C(Cc1ccsc1)OCc1nc(-c2ccc(Br)cc2)no1 44836540 AFIRSCCVIJXGKL-UHFFFAOYSA-N 379.235 3.847 0 40 GHAB Cc1n[nH]c(C(=O)Nc2ccccc2NCC(F)(F)F)c1Br 58208696 GNPBBIPDOAXLNV-UHFFFAOYSA-N 377.164 3.707 0 40 GHAB CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 2152109 JJMACYHXGLLIDM-SFHVURJKSA-N 395.411 3.712 0 40 GHAB biogenic CCc1cc(=O)oc2cc(OC(=O)CCCNC(=O)OC(C)(C)C)ccc12 2148773 ZEUZTKKAOXWGFK-UHFFFAOYSA-N 375.421 3.566 0 40 GHAB biogenic O=C(NCCc1coc(-c2ccc(F)cc2)n1)[C@H]1Cc2cc(Cl)ccc2O1 58305143 DLGGSBJQZJLVLG-GOSISDBHSA-N 386.810 3.797 0 40 GHAB COc1ccc(CNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 10511279 RWCHMOHINGDLNO-UHFFFAOYSA-N 388.471 3.757 0 40 GHAB CCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 28781776 NRPRCQSITANBMP-BJMVGYQFSA-N 383.828 3.856 0 40 GHAB O=C(OCc1nnnn1Cc1ccccc1)C1c2ccccc2Oc2ccccc21 11150561 KGSMPAASWAZEQR-UHFFFAOYSA-N 398.422 3.702 0 40 GHAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(N2CCOCC2)nc1 12754540 XDTNBCFBVDGYNZ-UHFFFAOYSA-N 396.672 3.586 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cn2c(=O)oc3cc(Cl)ccc32)C1 28816995 BEUWQXPVMIISNW-CQSZACIVSA-N 385.851 3.556 0 40 GHAB O=C(Cc1noc2ccccc12)NCc1ccc(NC(=O)c2ccco2)cc1 11535134 KKILAYRTPUIADF-UHFFFAOYSA-N 375.384 3.532 0 40 GHAB O=C1C[C@H](c2nc(-c3ccc(Cl)cc3)no2)CN1c1ccc2c(c1)OCCO2 8605277 IWAFOYDGNZSJBB-ZDUSSCGKSA-N 397.818 3.682 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H](C)Oc1ccc(C)cc1 12933444 ILXNAWVBEKDCMY-AWEZNQCLSA-N 399.878 3.701 0 40 GHAB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NCC1(c2ccccc2)CC1 22765230 YIFBYESYZIONHY-UHFFFAOYSA-N 391.389 3.639 0 40 GHAB CC(C)C[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccccc1 12992975 GMPHEIQHAQGWHU-IBGZPJMESA-N 386.517 3.526 0 40 GHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCCN1C(=O)c1cccs1 13012512 WODQNYJWXCAPTJ-LBPRGKRZSA-N 394.399 3.703 0 40 GHAB O=C(NCCCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1ccco1 13008864 VAGRKGYRUGIZKQ-NRFANRHFSA-N 388.467 3.964 0 40 GHAB Cc1sc2ncnc(N3CCC(C(=O)N[C@H](C)c4ccco4)CC3)c2c1C 18209778 FUBRSQLHTUHUQM-CYBMUJFWSA-N 384.505 3.995 0 40 GHAB Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC1CCCCC1 5060311 QYSPPDPACYZMKI-UHFFFAOYSA-N 384.501 3.620 0 40 GHAB COc1ccccc1CNCc1cccc(Oc2nnnn2-c2ccccc2)c1 13717767 WWNJNWFESOILAM-UHFFFAOYSA-N 387.443 3.753 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 18823771 ATSBBSHTKPOOGD-UHFFFAOYSA-N 380.444 3.744 0 40 GHAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1cccc(Br)c1 6345108 AXZVOSKJECOKHD-UHFFFAOYSA-N 387.233 3.655 0 40 GHAB C[S@](=O)c1ccc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1 65492705 MAVNWGHYEMZHQP-RUZDIDTESA-N 394.949 3.883 0 40 GHAB COc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1OC 4554004 ODGKVMXEGINKNX-GOSISDBHSA-N 387.505 3.961 0 40 GHAB CCCn1c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc21 6511027 WCPRXWHAUMEVFV-UHFFFAOYSA-N 380.488 3.816 0 40 GHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(C(=O)NCc3ccccc3)cc1)C2=O 408721419 HCJJTCCBHJPTKI-YADARESESA-N 390.483 3.932 0 40 GHAB CCN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2OC)N(C)C1=S 5509632 FFPGVXDBKSYDDB-WDZFZDKYSA-N 389.702 3.531 0 40 GHAB COc1ccccc1OCc1nnc(SCC(=O)c2ccc(F)cc2)n1C 4814639 ILIJBDCDZYMOTO-UHFFFAOYSA-N 387.436 3.517 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cccc(C)c1)S2 6811873 WTLXBHKSQBMABK-RBUKOAKNSA-N 393.516 3.855 0 40 GHAB CC(=O)c1cn(CC(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc12 71287442 BCTCLUKGYIARLH-UHFFFAOYSA-N 377.419 3.823 0 40 GHAB Cc1cc(C)cc(N2C(=O)N(Cc3cc(C)ccc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 7005788 ARMVPEUROMOTIZ-RTWAWAEBSA-N 398.528 3.528 0 40 GHAB CSCC[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1nc2ccccc2[nH]1 7718771 RIFHOFLXBHXHOK-LJQANCHMSA-N 391.500 3.973 0 40 GHAB O=C(CSc1ccccc1C(=O)NCc1ccc(F)cc1)NCc1ccco1 8132138 FTXFYVPLUHRQJE-UHFFFAOYSA-N 398.459 3.757 0 40 GHAB CC(=O)c1cccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 8268932 SWGPBIVHJTYYPL-UHFFFAOYSA-N 382.504 3.941 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OC(F)F 69392907 WQYRMXNJVGJWAP-SWLSCSKDSA-N 386.439 3.844 0 40 GHAB C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(N2CCOC2=O)cc1 71831332 OZZLXBVFWFUSPN-GFCCVEGCSA-N 396.415 3.813 0 40 GHAB COc1ccc(-c2nc(C[S@](=O)CC(=O)NC3CCCCC3)cs2)cc1 71801158 RAJAJSNSQJADGU-AREMUKBSSA-N 392.546 3.516 0 40 GHAB COC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n2nc3ncccc3c2n1 95480706 FBVZRHIGOICLSB-UHFFFAOYSA-N 398.426 3.534 0 40 GHAB CCOC(=O)CC[C@@H](C)Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl 95444778 XAVJVEYSWVAQNM-LLVKDONJSA-N 384.263 3.683 0 40 GHAB CC(C)c1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)nn1C(C)(C)C 95980228 YAYAUAUDKQNVMH-HNNXBMFYSA-N 384.528 3.777 0 40 GHAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cn2nnc3ccccc32)cc1 25050350 AKKPKCWWGCSADY-UHFFFAOYSA-N 398.470 3.727 0 40 GHAB Cc1ccc(Cl)cc1N(CC(=O)NC1CCCCCCC1)S(C)(=O)=O 408603831 GFNTVSOXJHGQSP-UHFFFAOYSA-N 386.945 3.644 0 40 GHAB Cn1c(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc2ccccc2c1=O 507460159 LXUUEKHKBGOUCI-QFIPXVFZSA-N 383.451 3.585 0 40 GHAB COc1ccc(C)cc1NC(=O)CSCc1cc(=O)c2cccc(F)c2[nH]1 33064186 IHSTZKRGWNGLBA-UHFFFAOYSA-N 386.448 3.856 0 40 GHAB COc1ccc(C(=O)N2CCN(Cc3csc4ccccc34)CC2)cc1OC 32756989 LRGZORDZBDUGAV-UHFFFAOYSA-N 396.512 3.877 0 40 GHAB Cc1cccnc1Nc1cccc([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 72376047 GYKVFCMYLLSJEX-QGZVFWFLSA-N 390.491 3.590 0 40 GHAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1ccccc1-c1ccccc1 43328952 KXKZSTCHOPOMHC-UHFFFAOYSA-N 388.471 3.907 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H](c3nccnc3Oc3ccc(F)cc3)C2)cn1 72362492 OOSIFEJXGUONJH-HNNXBMFYSA-N 393.422 3.526 0 40 GHAB COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4ccccc4)C3)n[nH]2)cc1 72371223 PTAGXZIVRKEVCM-GOSISDBHSA-N 391.471 3.670 0 40 GHAB O=C(O)[C@@H](c1ccc(F)cc1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 565255474 SIUCSUXQZLTCKW-DLBZAZTESA-N 399.340 3.924 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccccc2OC)CC1 30866136 BDZITCXBKYRGBK-OAQYLSRUSA-N 382.504 3.818 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cccc(Cl)c1 223010303 GKOFEFUUILVFJW-IBGZPJMESA-N 388.895 3.581 0 40 GHAB CN(C)[C@H](CNC(=O)COc1ccc(Cl)c2cccnc12)c1cccs1 43284974 GRAYQDUBWBGKEN-OAHLLOKOSA-N 389.908 3.748 0 40 GHAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 225672401 SOLPOCNOOGVTDZ-UHFFFAOYSA-N 389.285 3.708 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 224179173 PDPAURXSHFVJMG-NRFANRHFSA-N 396.531 3.934 0 40 GHAB O=C(Nc1nc2ccc(Br)cc2s1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 225596768 YRLQTVLZBUOZGD-HYRRULHTSA-N 393.262 3.520 0 40 GHAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)C1(c2ccccc2)CC1 225758172 IDLHOULWNHYYTD-UHFFFAOYSA-N 392.528 3.955 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222503320 JDUSYRTVDKLUSR-CYBMUJFWSA-N 380.897 3.535 0 40 GHAB CC[C@H](C(=O)N[C@H](C)c1ccccc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220528624 ZORMTXPOOIPUCN-IEBWSBKVSA-N 388.533 3.725 0 40 GHAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 48257238 LLNCFFKAGSSZTK-UHFFFAOYSA-N 384.455 3.837 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 224751811 NWLVLSGOGXJDGZ-AWEZNQCLSA-N 394.924 3.546 0 40 GHAB CC(C)Cn1c(CCNC(=O)c2ccc3c(c2)OCCCO3)nc2ccccc21 96231133 GRTNNENIMYKUOE-UHFFFAOYSA-N 393.487 3.826 0 40 GHAB Cc1c(C(=O)N2C[C@H]3CC[C@H](Oc4cccnc4)[C@H]3C2)[nH]c2ccc(F)cc12 257339755 ZDAVIQTWDZPGRG-WNYOCNMUSA-N 379.435 3.940 0 40 GHAB O=C(Cc1noc2ccc(F)cc12)N1CCOC[C@@H]1c1nc2ccccc2s1 585140100 FTJSEJRHZCJUAO-MRXNPFEDSA-N 397.431 3.719 0 40 GHAB CCCCC[C@]1(O)CCN(C(=O)c2ccncc2)C[C@@H]1Oc1cccc(F)c1 257328266 XEWRLJUABXFARN-UNMCSNQZSA-N 386.467 3.826 0 40 GHAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)NC[C@H](C)O)CCOCC3)cc2)c1 257232031 GJCRPTVIGAHNRR-IBGZPJMESA-N 381.516 3.807 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(Cc3ncccc3F)C2)ncn1 257264380 LUCJKKHVKMGHBI-INIZCTEOSA-N 381.455 3.737 0 40 GHAB CCn1nc(C)c(S(=O)(=O)N2C[C@H](C(C)(C)C)Cc3ccccc32)c1C 1665504770 NUZZSBQTJUUPJZ-QGZVFWFLSA-N 375.538 3.934 0 40 GHAB CCCOc1ccc(O[C@@H]2CCCC[C@H]2N2C(=O)N3CC4CC3(C4)C2=O)cc1 656804713 HHCLLNISWXEPTO-PUPZFBQESA-N 384.476 3.592 0 40 GHAB CSc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 96103214 XUELQMWPAWMCMF-SFHVURJKSA-N 379.547 3.718 0 40 GHAB CC(C)(C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1)n1cc(N)cn1 659250408 QDRFAJVJBJBJMQ-UHFFFAOYSA-N 394.441 3.847 0 40 GHAB O=C(NCc1ccncc1OC[C@H]1CCOC1)N[C@@H]1CCCC12CCCCC2 585094477 MXYPYQXQSQSGAN-FXAWDEMLSA-N 387.524 3.799 0 40 GHAB NC(=O)Cn1cc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cn1 53414527 AHFHKVKANCUQRU-UHFFFAOYSA-N 395.271 3.656 0 40 GHAB CC(=O)Nc1ccc(Cl)cc1NC(=O)c1sc(-c2ncccn2)nc1C 58719510 HYYDNMIIXOHABM-UHFFFAOYSA-N 387.852 3.773 0 40 GHAB COCc1ccccc1NC(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 97212355 IFMQJYLBSSOSNA-INIZCTEOSA-N 377.485 3.696 0 40 GHAB C[C@H](NC(=O)CSc1nnc(NCc2ccco2)s1)[C@H]1C[C@H]2CC[C@H]1C2 104106070 HNCHGABBPUPJPL-PWNZVWSESA-N 392.550 3.776 0 40 GHAB CC1(C(=O)N2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)CCCCC1 1615123547 SVNZRHHTBRDQCL-QFIPXVFZSA-N 388.483 3.521 0 40 GHAB COc1ccc(-n2nncc2SCC(=O)N(c2ccccc2)C(C)C)cc1 11690396 BOVJMWWKMRNQGL-UHFFFAOYSA-N 382.489 3.810 0 40 GHAB Cc1ccccc1CC(=O)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12256416 WJCBAMSSDNRRNV-UHFFFAOYSA-N 388.471 3.501 0 40 GHAB Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1C 12293535 VDORHKNLOZMKFB-NHCUHLMSSA-N 385.479 3.827 0 40 GHAB O=C(CCn1ccc2ccc(F)cc21)NC1CCN(Cc2ccccc2)CC1 13720548 LQZOGHVHCJSGRS-UHFFFAOYSA-N 379.479 3.951 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)cc1 14091607 JQKHRYWRIAVRLE-UHFFFAOYSA-N 396.516 3.762 0 40 GHAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCO2 18941121 HDFAJMZWDNGEQV-SNVBAGLBSA-N 388.272 3.804 0 40 GHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)n1 19572932 GMEKEFHITCWZCQ-HNNXBMFYSA-N 382.439 3.830 0 40 GHAB COc1ccc(CCC2CCN(C(=O)c3ccc(-n4cnnc4)cc3)CC2)cc1 19655928 UPYLWHKERRGBGE-UHFFFAOYSA-N 390.487 3.761 0 40 GHAB O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cc(-c2cccc(F)c2)no1 19718151 PAXASDZOXZLSFW-UHFFFAOYSA-N 393.418 3.533 0 40 GHAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccccc1OC)C3 19816466 PCQRAJVLRSOLDX-CYBMUJFWSA-N 382.489 3.938 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O)N1CCCC1 205856142 XHFAINYXOIJHLF-MDWZMJQESA-N 385.272 3.652 0 40 GHAB C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccc(C(=O)NN2[C@H](C)CCC[C@H]2C)cc1 35191315 QFROWPANECRLGK-TVFCKZIOSA-N 386.540 3.502 0 40 GHAB Nc1c(-c2nc(-c3ccc(F)cc3)no2)nnn1-c1ccccc1C(F)(F)F 10273053 LISOXSZGAVKSBP-UHFFFAOYSA-N 390.300 3.724 0 40 GHAB CC(C)(C)Nc1c(C2CCN(C(=O)C3CCOCC3)CC2)nc2ccccn12 12127824 MWUWIDHAGYNYJV-UHFFFAOYSA-N 384.524 3.677 0 40 GHAB Nc1nc(COC(=O)c2cccc(C(F)(F)F)c2)nc(Nc2ccccc2)n1 5701991 NXAQVINGBXVJKT-UHFFFAOYSA-N 389.337 3.573 0 40 GHAB O=C(O)c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1Cl 37641995 RVSRSRMULRYWLL-UHFFFAOYSA-N 390.642 3.602 0 40 GHAB Cc1cc(C)nc(Nc2cc(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)ncn2)n1 2037835093 YKLGXDDZJPUHHO-MRXNPFEDSA-N 398.511 3.817 0 40 GHAB O=C1N2CCSC2=N[C@@]1(Nc1nc2ccc(Cl)cc2s1)C(F)(F)F 4686854 NFPTWWHAHSVSCX-GFCCVEGCSA-N 392.815 3.565 0 40 GHAB O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1cccc(F)c1 8893303 VRXUZOBOARPVID-SFHVURJKSA-N 389.496 3.559 0 40 GHAB CCOC(=O)N1CCc2nc(NC(=O)c3nc4ccccc4s3)sc2C1 10693962 WATHMDPKTWYDPF-UHFFFAOYSA-N 388.474 3.520 0 40 GHAB O=S(=O)(NCC[C@@H](CCO)c1ccccc1)c1cc(Cl)ccc1Cl 206627818 WCJAXCAYASWYNI-AWEZNQCLSA-N 388.316 3.828 0 40 GHAB Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)n2nnnc2N3)cc1 10336884 AXTPCWITFPURBV-SFTDATJTSA-N 398.401 3.767 0 40 GHAB CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5)no4)ccn3n2)cc1 16842325 UKJDDMLHRLDDCB-UHFFFAOYSA-N 397.438 3.824 0 40 GHAB COC(=O)c1ccc(CSc2nnc(C)c3cnn(-c4ccccc4)c23)o1 23137543 QYORDZYUXWAUAX-UHFFFAOYSA-N 380.429 3.796 0 40 GHAB CCc1c(C(=O)NCCCCOc2ccc(F)cc2)cnn1-c1ccccn1 30847265 FSZLYVGTVRORHR-UHFFFAOYSA-N 382.439 3.558 0 40 GHAB CCCCc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40313151 SFDQZEFOQWBESK-QFIPXVFZSA-N 377.444 3.809 0 40 GHAB biogenic O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc(-c2ccccn2)nc2ccccc12 40309579 BTRMWWXHEANDJQ-QFIPXVFZSA-N 397.434 3.723 0 40 GHAB biogenic C[C@@H]1CN(C(C)(C)CNC(=O)C2c3ccccc3Oc3ccccc32)C[C@@H](C)O1 21055759 NSBSZOGEGJQLOO-IAGOWNOFSA-N 394.515 3.928 0 40 GHAB CCOC(=O)C1=C(NC(=O)c2cc3ccccc3oc2=O)S[C@@H]2CCCC[C@@H]12 887344 FZUKDOCYMSNRLM-CZUORRHYSA-N 399.468 3.603 0 40 GHAB COc1cccc(CC(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)c1 32832203 RYIGPBXJZZFQEA-UHFFFAOYSA-N 378.428 3.859 0 40 GHAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1c(C)cccc1CC 3591073 WLLXZUKHWVGULD-UHFFFAOYSA-N 397.504 3.663 0 40 GHAB Cc1noc(C)c1CN1CCN(c2ncnc3sc4c(c23)CC[C@H](C)C4)CC1 32911778 YTMVFYRJHIRLSW-ZDUSSCGKSA-N 397.548 3.743 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccccc3o2)c1 7605440 PSCDIOZAHTXBGH-UHFFFAOYSA-N 376.821 3.999 0 40 GHAB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)c1ccccc1 7881579 OOCWHLQRQCFAMC-YJBOKZPZSA-N 385.847 3.898 0 40 GHAB COc1ccccc1NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 18173892 TVWDDXINGDPWRR-UHFFFAOYSA-N 384.461 3.786 0 40 GHAB COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c2ccccc12 10781817 COGHEZNHOWATDE-UHFFFAOYSA-N 388.467 3.883 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1ccc(Cl)cc1 8414670 KQTSFWOBYBQRQI-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB CCc1cccc(CC)c1NC(=O)COC(=O)CCC(=O)Nc1ccccc1 8416197 YLIMABQUZOAEEB-UHFFFAOYSA-N 382.460 3.712 0 40 GHAB COC(=O)C1(C)[C@@H]2C3C4[C@H]1[C@H]1CCC[C@@H]1[C@H]4[C@@](C)(C(=O)OC)[C@H]3[C@H]1CCC[C@@H]12 104294651 VLVOBUAZWXZPNE-JLGZNFKMSA-N 386.532 3.929 0 40 GHAB Cc1cc(Br)c(S(=O)(=O)Nc2ccccc2O)cc1Cl 54363173 BPJBUWDOZZXTHO-UHFFFAOYSA-N 376.659 3.917 0 40 GHAB CCOc1ccc(NC(=O)CN(C)C(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OCC 102708995 XTNYHNVZUVZFCG-ZACQAIPSSA-N 388.508 3.707 0 40 GHAB C[C@@H](NC(=O)CN1CCn2cccc2[C@H]1c1ccccc1)c1ccc(F)cc1 105722239 IQZMGIOLJVXYTE-UZUQRXQVSA-N 377.463 3.910 0 40 GHAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 113970403 BOFUGXLZKWGVGZ-JOCHJYFZSA-N 381.520 3.797 0 40 GHAB C[C@H](NC(=O)CN1CCn2cccc2[C@@H]1c1ccccc1)c1ccc(F)cc1 26163687 IQZMGIOLJVXYTE-SBUREZEXSA-N 377.463 3.910 0 40 GHAB C[C@H](OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1nnc(-c2ccccc2)o1 26426584 XFEFTNDOURHLGW-NHYWBVRUSA-N 381.363 3.606 0 40 GHAB COc1cccc(-c2nc(N3CCOCC3)c3oc(-c4ccccc4)nc3n2)c1 61997342 UTODKLYDGLTEGY-UHFFFAOYSA-N 388.427 3.797 0 40 GHAB CC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3209723 USLZIZXZLDMQPB-UHFFFAOYSA-N 387.288 3.932 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)c(OC)c1 3292360 ZUDWVUJKCVSAIC-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB COc1ccccc1OCCC(=O)OCC(=O)Nc1cccc2ccccc12 3286395 YZOARIZEPFZPHJ-UHFFFAOYSA-N 379.412 3.799 0 40 GHAB COC(=O)C[C@@H]1CCCCN1Cn1nc2c(Cl)cc(Cl)cn2c1=S 57995705 ITIORVZRUQXVEO-NSHDSACASA-N 389.308 3.547 0 40 GHAB C[C@@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1nc2ccccc2s1 10230994 OOERZQNQYULZPV-LLVKDONJSA-N 396.501 3.606 0 40 GHAB CNC(=O)C1(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)CCCCC1 58345078 UMUMTSDLKYKTLJ-UHFFFAOYSA-N 399.438 3.802 0 40 GHAB C[C@H]1Sc2ccc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)cc2NC1=O 10677293 MOAGJZHZLULLKO-CQSZACIVSA-N 392.484 3.577 0 40 GHAB COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccccc2F)N2CCCC2)cc1 28232035 WEQRAIKPUZZDQQ-OXQOHEQNSA-N 386.467 3.555 0 40 GHAB CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1)CC(C)C 45537902 FJLLCZYAQLOCMU-OXJNMPFZSA-N 376.545 3.762 0 40 GHAB CC(C)(C)c1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1 11525844 SOQHSZZYPJRWSX-UHFFFAOYSA-N 393.531 3.817 0 40 GHAB COc1ccc(CCC2CCN(C(=O)c3ccc4c(c3)OCC(=O)N4)CC2)cc1 12783245 KPUMQBBUUDDLKR-UHFFFAOYSA-N 394.471 3.511 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)n1 12823713 JEGUUEQJTAFNSU-UHFFFAOYSA-N 378.881 3.963 0 40 GHAB CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc2ccccc2c1 12843354 SADHNYFNGJOIGA-UHFFFAOYSA-N 379.441 3.711 0 40 GHAB O=C(OCc1nnnn1-c1ccccc1)c1ccc(Oc2ccc(F)cc2)cc1 12991416 GHLFJONIBJANGE-UHFFFAOYSA-N 390.374 3.951 0 40 GHAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 13041014 MWWYEQCNCGWMHN-UHFFFAOYSA-N 379.743 3.858 0 40 GHAB O=C(NCc1ccccc1-n1cccn1)N[C@@H]1CCCOc2ccc(F)cc21 63359606 NBUUMPPAGJVNMU-GOSISDBHSA-N 380.423 3.725 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)OCCO2 69536610 MUBCERCAFGOCAO-JOCHJYFZSA-N 391.471 3.830 0 40 GHAB Cc1ccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1C 4122749 DNYWDVJSKSGBHH-UHFFFAOYSA-N 384.348 3.961 0 40 GHAB COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1ccc(F)cc1F)CC2 5352942 CIGDKUXWTJJOBK-GFCCVEGCSA-N 376.403 3.540 0 40 GHAB COc1cccc(NC(=O)[C@@H](Oc2ccc(C(N)=O)cc2)c2ccccc2)c1 14183807 BVAZLRXPVYJXKT-FQEVSTJZSA-N 376.412 3.553 0 40 GHAB O=Cc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 5405856 KGZJXCHZDWBJIA-UHFFFAOYSA-N 385.725 3.967 0 40 GHAB CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)n1nc(-c2ccccc2)ccc1=O 6767280 XFVJCSLHMIVVQH-HXUWFJFHSA-N 375.428 3.703 0 40 GHAB COc1cc(C(=O)Nc2nonc2-c2ccc(Cl)cc2)cc(OC)c1OC 6747717 CNOLVKNYCKIDIB-UHFFFAOYSA-N 389.795 3.668 0 40 GHAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2N)cc1 4876924 GAANVKBCYRBCLV-UHFFFAOYSA-N 385.468 3.652 0 40 GHAB Cc1cc(N)nc(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)n1 7094679 RKSWGUOBQBPREX-QGZVFWFLSA-N 388.493 3.566 0 40 GHAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)OC(C)C)CC2=O)cc1 8845070 BVNGKJWDDITHDU-QGZVFWFLSA-N 391.471 3.817 0 40 GHAB O=C(Cn1cnc2sccc2c1=O)Nc1ccccc1Cc1ccccc1 7495083 WYXBBAMJJXUEBV-UHFFFAOYSA-N 375.453 3.688 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cc1 7509658 IPDIVWWXOQYENE-CXAGYDPISA-N 388.851 3.563 0 40 GHAB Cc1ccccc1CNC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 7684530 FGYXRRHZXMFZSE-FQEVSTJZSA-N 380.488 3.610 0 40 GHAB COc1ccc(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)cn1 16235058 DTFUXMWSZQTJRL-UHFFFAOYSA-N 391.802 3.680 0 40 GHAB CCCOCCOC(=O)c1ccnc(NCc2cccc(Cn3cccn3)c2)c1 72311018 PQOPEPAWECWFFO-UHFFFAOYSA-N 394.475 3.522 0 40 GHAB Cc1ccc(CCC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c(C)c1 72303284 UUUPATPRGSVLMO-YPAWHYETSA-N 376.500 3.509 0 40 GHAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)Nc1ccccn1 9341733 ZNWRQXPJJKXNOD-UHFFFAOYSA-N 384.819 3.738 0 40 GHAB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)N(C)C1=S 409037821 NWJAIJAISHABHI-ATVHPVEESA-N 382.485 3.694 0 40 GHAB COc1cc(C(=O)OCC(=O)Nc2cc(C(C)C)no2)ccc1OCC(C)C 9536708 FYHWUPBSKFAYFM-UHFFFAOYSA-N 390.436 3.637 0 40 GHAB C[C@@H](OC(=O)C[C@H]1CSCCS1)C(=O)Nc1ccc2ccccc2c1 95443962 GCJOAYNVTIFFSI-DYVFJYSZSA-N 375.515 3.949 0 40 GHAB Cc1ccc([C@@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc2)cc1 20045320 AWGJZYGOQXODMR-NRFANRHFSA-N 394.496 3.886 0 40 GHAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2c[nH]c3ccc(F)cc23)c1C 95966991 SIGQSROLKTWHPV-ZDUSSCGKSA-N 386.423 3.972 0 40 GHAB CN(Cc1nc(-c2cccc(Br)c2)no1)Cc1ncc(C2CC2)o1 89364914 VMIWMXGRDUHPDP-UHFFFAOYSA-N 389.253 3.997 0 40 GHAB Cc1noc(COc2ccc(NC(=O)C[C@@H]3OCCc4ccsc43)cc2)n1 89721192 IBZGBIQMJIVMLA-INIZCTEOSA-N 385.445 3.661 0 40 GHAB CCCNC(=O)C1CCN([C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 42685477 YXAFATLPOQLGHO-LBPRGKRZSA-N 386.323 3.559 0 40 GHAB Cc1ccccc1-c1cc(C(=O)N[C@@H](C)CN(C)C)c2cnn(C(C)C)c2n1 554135303 CJRJDISUUHEPHU-INIZCTEOSA-N 379.508 3.668 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1NC(=O)CC 408698049 NCJBZFDEQIZSKD-UHFFFAOYSA-N 384.404 3.513 0 40 GHAB Cc1cccc(OCc2nn(CC(=O)N[C@H]3CCCC[C@@H]3C)c(=S)o2)c1 409151712 IQJLHBMSQJECAN-HOCLYGCPSA-N 375.494 3.788 0 40 GHAB Fc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=S)NCc2ccco2)C3)cc1 35310754 PKLSEMYZFCZBQM-YQQQUEKLSA-N 387.524 3.969 0 40 GHAB Cc1ccc(-c2cnc3n2C[C@@]2(CCN(C(=O)c4csc(C)n4)C2)C3)cc1 306127975 GMRXQOBRNCUVKI-NRFANRHFSA-N 378.501 3.712 0 40 GHAB CCCc1cc(N(C)Cc2ccc(OCC(F)(F)F)cc2)n2ncnc2n1 553245000 GLCWVFDPUNIGGL-UHFFFAOYSA-N 379.386 3.654 0 40 GHAB CC(=O)Nc1ccc(CN2C[C@@H]3[C@@H](CCC[C@]3(O)c3cccc(F)c3)C2)cc1 72340451 UKWRYFQDPYCLDJ-NMNUPHIUSA-N 382.479 3.904 0 40 GHAB O=S(=O)(Cc1ccccc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635505 DNVHDRXSWSXTPV-KRWDZBQOSA-N 385.407 3.609 0 40 GHAB CCc1cccc(CC)c1NC(=O)CSc1nc2ncccc2c(=O)n1CC 32876475 OOJUMPDWSNGNMS-UHFFFAOYSA-N 396.516 3.667 0 40 GHAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 223559824 ADECNSLZXPQRBO-SFHVURJKSA-N 384.495 3.744 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCC 225230833 YFMOSUGOFUHHEA-AWEZNQCLSA-N 383.330 3.883 0 40 GHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 224111087 LNRWVUMBISCSBM-UHFFFAOYSA-N 395.484 3.686 0 40 GHAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1nnc(-c2ccccc2)s1 224646000 SOWQFCSYBRWDNA-UHFFFAOYSA-N 386.436 3.957 0 40 GHAB CN1CCC(Oc2ccc(CNC(=S)Nc3ccc(F)cc3F)cc2)CC1 225772739 MBLILVHMWKLUAS-UHFFFAOYSA-N 391.487 3.924 0 40 GHAB COc1cccc(C(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)c1OC 77200101 IUXIKRUSWDKIEA-IAGOWNOFSA-N 398.459 3.994 0 40 GHAB COC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Cl)cc1 224708980 WHQDEFDAJSPKCY-UHFFFAOYSA-N 388.272 3.670 0 40 GHAB Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 574610803 PGAJQQSYWHAAPW-IRXDYDNUSA-N 392.908 3.985 0 40 GHAB Cc1cc(N)cc(Cl)c1NS(=O)(=O)c1ccc(Br)cc1 227144563 WFKBJYWFNHAANA-UHFFFAOYSA-N 375.675 3.794 0 40 GHAB COc1ccc(OCCNC(=O)[C@@H](C)c2ccc(C[C@@H]3CCCC3=O)cc2)cc1 575443989 JODBQEHWZDTTKW-PXNSSMCTSA-N 395.499 3.906 0 40 GHAB O=c1c(-c2ccc(Cl)cc2)coc2cc(OCCN3CCOCC3)ccc12 20590109 WAVHNTOBJSXYKE-UHFFFAOYSA-N 385.847 3.824 0 40 GHAB biogenic COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cc1ccc2c(c1)OCC2 96222779 MOSWHZIXLKKEMZ-FQEVSTJZSA-N 376.456 3.848 0 40 GHAB biogenic Cc1ccc(CN(CC(=O)O)C(=O)c2ccnc(Cc3cccc(F)c3)c2)cc1 257339491 ZBYYQNPMNIGOCD-UHFFFAOYSA-N 392.430 3.847 0 40 GHAB O=c1c(=Cc2ccc(Cl)c(Cl)c2)sc2nc(-c3ccc(F)cc3)nn12 254372557 PJLJFUBETXBEOF-UHFFFAOYSA-N 392.242 3.812 0 40 GHAB CCCC(=O)N1CCC(Cc2ccc(-c3cccnc3)cc2)(C(=O)N(C)C)CC1 257231575 GHHFKKPOGUVDDY-UHFFFAOYSA-N 393.531 3.788 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)c2)c1 606375164 JUCBQMRYSKEMFD-TWOQFEAHSA-N 384.501 3.714 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1 260828939 GAAHOAYVXUEYEF-QGZVFWFLSA-N 396.512 3.619 0 40 GHAB Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 664604435 OOFHKVPFZHCAGT-TYPHKJRUSA-N 398.482 3.633 0 40 GHAB OCCN1CCC[C@H](Cn2cnc(-c3ccccc3)c2-c2cccc(O)c2)C1 65371646 ASFUDXOVNXKHAZ-SFHVURJKSA-N 377.488 3.627 0 40 GHAB Fc1c(CN2CCN(C[C@@H]3CCCO3)CC2)ccc(Br)c1Cl 1237901728 RIVWMWQPNVMSCP-ZDUSSCGKSA-N 391.712 3.538 0 40 GHAB O=C([C@@H]1CCC1(F)F)N1CCCCC[C@H](Nc2ccc(C(F)(F)F)nn2)C1 1615610851 PBDGPXRCYXUWET-RYUDHWBXSA-N 392.372 3.724 0 40 GHAB Cc1ccccc1CN(Cc1nc(C2CC2)nn1C)c1ccc2nc(O)[nH]c2c1 828071751 WOGJYVOJGUDRIX-UHFFFAOYSA-N 388.475 3.790 0 40 GHAB O=C1C[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]2CCOc2ccc(F)cc2N1 1534646112 CAPJYCWZHFFODI-IRXDYDNUSA-N 382.435 3.715 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@H](c2noc(-c3ccccn3)n2)C1 12291967 VDZIZLXZODOTNC-HNNXBMFYSA-N 382.851 3.734 0 40 GHAB O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc(Cl)cc1 12329794 FDLIAMLIJIYFHF-MOPGFXCFSA-N 391.870 3.863 0 40 GHAB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@H]1c1ccc(C(=O)O)cc1 12551688 MMYRPSSDZHHHON-SFHVURJKSA-N 396.468 3.576 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711893 AHIPUZOEMJCLIC-KBXCAEBGSA-N 394.924 3.762 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1cccc2cccnc12 14223493 CKADRWQYVWAJOJ-UHFFFAOYSA-N 392.484 3.897 0 40 GHAB COc1cccc(OCc2nnc(SCC(=O)Nc3cccc(C)c3)o2)c1 17227289 GZZQCHXNWIEZLH-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB Cc1cc(NC[C@@H](O)c2cccc(O)c2)n2nc(-c3cccc(F)c3)cc2n1 19117248 UIOJYKCTHIPXHA-LJQANCHMSA-N 378.407 3.695 0 40 GHAB Cc1c(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)oc2ccc(F)cc12 19565605 HROJASPKDHVBQA-SFHVURJKSA-N 394.450 3.636 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2Cl)cc1 19932133 OIXJGMGGPDIVMO-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC(C)C)cc2)c1 6327936 MLDVWLAYGXJBRK-BOPFTXTBSA-N 394.427 3.571 0 40 GHAB O=C(Nc1ccnc(Oc2ccccc2Cl)c1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 515369337 ZAHRGPVADICDCC-YALNPMBYSA-N 383.835 3.944 0 40 GHAB CCOc1ccc2[nH]c(C(=O)N3CCC[C@@](O)(c4ccccc4OC)C3)cc2c1 12290423 HQRAARDMZLEDGL-QHCPKHFHSA-N 394.471 3.699 0 40 GHAB COCCCN1COc2ccc3c(C)c(-c4ccc(OC)cc4)c(=O)oc3c2C1 12442407 CMXKWESSGGDVPC-UHFFFAOYSA-N 395.455 3.965 0 40 GHAB biogenic NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccc(F)cc2)C1 19348461 IHBSXVCDJINCNN-XMMPIXPASA-N 389.474 3.808 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(Cl)nc2ccccc12 9516077 UXMBCSWVWHAVNY-UHFFFAOYSA-N 399.853 3.806 0 40 GHAB O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1cnn(Cc2ccccc2Cl)c1 32760854 QJFCCKWWZCRYFP-GOSISDBHSA-N 390.270 3.702 0 40 GHAB CC1CCN(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)CC1 2720435 HYJXAFJRGDWASD-UHFFFAOYSA-N 381.885 3.653 0 40 GHAB O=C(CSc1ccc(-c2ccccc2)nn1)N1CCN(c2ccccc2)CC1 4271846 WECNNBDJMUKCAD-UHFFFAOYSA-N 390.512 3.585 0 40 GHAB Fc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)n2nnnc2N3)c1 10336894 RUFASFSNAVDXJN-SFTDATJTSA-N 398.401 3.767 0 40 GHAB COc1ccc(-c2cn3c(CCC(=O)NCc4ccco4)csc3n2)cc1 16848812 HJYHOAFULAHLID-UHFFFAOYSA-N 381.457 3.913 0 40 GHAB O=C(c1ccc(Br)o1)N1CCC[C@H](Oc2ccncc2Cl)C1 575604604 AEYBDUMMBYKKDR-JTQLQIEISA-N 385.645 3.774 0 40 GHAB CC(=O)c1cc(CCC(=O)N[C@H](c2ccccc2F)c2nccn2C)oc1C 30000065 HLHKNCWSINOTBH-HXUWFJFHSA-N 383.423 3.502 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2OCCc2ccccc2)cc1 40090793 OYNFUZMXWQSQIF-UHFFFAOYSA-N 395.480 3.964 0 40 GHAB COC(=O)C[C@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1ccccc1 40071206 MDEGWWCVFOYJTA-INIZCTEOSA-N 380.366 3.809 0 40 GHAB Cc1ccc(OC[C@H](O)Cn2c(=N)n(Cc3ccccc3)c3ccccc32)cc1 20065929 IVYCKUSKZRQYJC-HXUWFJFHSA-N 387.483 3.719 0 40 GHAB CCOc1ccc(CN(C)Cc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 40152880 VEUBGAZYBTWSNO-UHFFFAOYSA-N 389.459 3.552 0 40 GHAB CCCn1c(CSC2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 31682533 DRZSKVJTSNVSIY-UHFFFAOYSA-N 381.567 3.872 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 40930017 KAKXRCMQNKIJCC-LPHOPBHVSA-N 382.508 3.644 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3C)n2C)c1 32579537 ORQMGCDVCHFWBE-UHFFFAOYSA-N 386.452 3.669 0 40 GHAB COc1ccc(OC[C@H](O)CN(Cc2cccc(F)c2)Cc2ccco2)cc1 32593892 APDGWQGYWZJILY-LJQANCHMSA-N 385.435 3.869 0 40 GHAB O=C(CSc1nc(=O)cc(O)n1C1CCCC1)Nc1ccc(F)cc1Cl 102137478 UJDDGFOLRCDJDA-UHFFFAOYSA-N 397.859 3.587 0 40 GHAB COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc1 71327815 KDXAOYFMICLDKV-UHFFFAOYSA-N 399.878 3.663 0 40 GHAB COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)NC2CCCCC2)c1C 871950 CYLGRMKLMIEPJO-UHFFFAOYSA-N 390.461 3.751 0 40 GHAB Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)O)n2Cc2ccccc2)c1 916259 PNGGBTPXXPDZQD-HNNXBMFYSA-N 383.473 3.779 0 40 GHAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccncc3)nc2n1 32726563 YFHCBJGLGLSLAI-UHFFFAOYSA-N 390.472 3.681 0 40 GHAB CC[C@H]1[C@H](OC(=O)CC(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 1641783 LGCQVJSQUJNJEC-JTHBVZDNSA-N 379.500 3.729 0 40 GHAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(-n2ccnc2)nc1 32914471 QNTHWNLXBCYSPG-UHFFFAOYSA-N 375.457 3.875 0 40 GHAB COCCCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccoc1C 4860859 KZGWNRTVBOIQEX-UHFFFAOYSA-N 389.452 3.997 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)COC(=O)CCOc2cccc(C)c2)cc1 7160362 OJDFFJQQARHLDQ-UHFFFAOYSA-N 383.444 3.929 0 40 GHAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2C)c1 8414522 MGFRPVVPAYBIRN-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB COC(=O)c1cccc(NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 8471395 HQJQLLLSYUDWLS-UHFFFAOYSA-N 388.423 3.907 0 40 GHAB O=C1/C(=C\c2ccc(COc3ccccc3)o2)N=C(S)N1C[C@H]1CCCO1 2803900 KSFBEAZNACIEFL-YCPFAOKUSA-N 384.457 3.507 0 40 GHAB CC[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(OC)cc1 23649704 FURARIIXRXNJAX-GOSISDBHSA-N 379.460 3.522 0 40 GHAB CN(Cc1ccccc1F)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 55093604 JQBIPABPSISZQT-CQSZACIVSA-N 380.872 3.804 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)cc1C 1321009 DUWMBHJSOYUKJJ-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB Cc1ccc(C)c(-n2ccnc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 26047457 OAWOFTHNYNLRAJ-UHFFFAOYSA-N 393.468 3.795 0 40 GHAB CS(=O)(=O)NCCc1ccc(-c2csc(Nc3ccccc3)n2)s1 12551750 FDDZQJQRSRYWDT-UHFFFAOYSA-N 379.532 3.707 0 40 GHAB Cc1ccc(-c2nnc3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n23)cc1 1783840 SOOQSBWSAJUBME-NVNXTCNLSA-N 388.279 3.981 0 40 GHAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc(OCC(=O)N(C)C)c2)C2CC2)o1 44507006 KHZBGKMPQVKPGR-MGPUTAFESA-N 396.487 3.675 0 40 GHAB CCOC(=O)c1oc2ccc(Br)cc2c1COC(=O)[C@@H]1CCCO1 3280835 PYPKGRKHRRTWEN-AWEZNQCLSA-N 397.221 3.594 0 40 GHAB COc1ccc(C)cc1-n1nnnc1Sc1ncnc2sc(C)c(C)c12 3260613 AZTQXOXHOLVORQ-UHFFFAOYSA-N 384.490 3.752 0 40 GHAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1CCCc2ccccc21 58135176 QDRVMEBFTYDABU-OAQYLSRUSA-N 383.923 3.656 0 40 GHAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)N[C@@H]1CCCc2ccccc21 58176584 HOAZGSKDGWAKNZ-GHTZIAJQSA-N 384.545 3.923 0 40 GHAB Cc1cccc(C)c1OCCOC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 10241965 WJUKQRZGZQSGNY-UHFFFAOYSA-N 382.865 3.596 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)nc1)Nc1cnn(Cc2ccccc2)c1 58393063 PTUXBASXGFSLLE-UHFFFAOYSA-N 376.464 3.961 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccn2)cc1 10556789 HUVBLHSJESFQGM-INIZCTEOSA-N 395.484 3.682 0 40 GHAB Cc1cc(NC(=O)[C@H](C)n2ccc(C(F)(F)F)n2)n(Cc2ccccc2)n1 28242458 AGKQIYBXKPKOJY-ZDUSSCGKSA-N 377.370 3.655 0 40 GHAB CC(C)(C)CC(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 25293670 RLQYBBQFLWRBKQ-UHFFFAOYSA-N 394.515 3.986 0 40 GHAB COc1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc(OC)c1OC 3353561 PWSNRZYKGJULAA-UHFFFAOYSA-N 392.260 3.820 0 40 GHAB CN(CCO)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 2410632 BAGXYGKEAISLTA-UHFFFAOYSA-N 376.485 3.824 0 40 GHAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(C)c(C)c1 3360968 MXLQYIUSSYCJGJ-OAHLLOKOSA-N 396.487 3.729 0 40 GHAB Cc1ccc([C@H](NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)C2CC2)cc1 12881808 NBRDZXHXNZCUTH-KRWDZBQOSA-N 398.425 3.973 0 40 GHAB Cc1cc(CN2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)no1 12820822 MDPXFIUQGOFGHF-UHFFFAOYSA-N 391.500 3.977 0 40 GHAB CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl 8491928 WDQFULFFNYBDGT-UHFFFAOYSA-N 395.352 3.536 0 40 GHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1Cl 12997139 HUMZBWRRAGEVFM-UHFFFAOYSA-N 379.287 3.756 0 40 GHAB CCc1cc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)sc1C 12986428 MIMQMXAZURQCKV-UHFFFAOYSA-N 399.560 3.632 0 40 GHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCN1C(=O)COc2ccccc21 13010217 UKGZZFQZPBGSGY-OAHLLOKOSA-N 378.428 3.768 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(c3cccc(C)c3C)CC2)c1 13038956 QYIYQJTYDHUWAK-UHFFFAOYSA-N 386.561 3.516 0 40 GHAB CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 13323445 LFEXKAZBKSPLLE-PMACEKPBSA-N 375.532 3.669 0 40 GHAB O=C(O)CCC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 4036708 FBTHZLDZGLIFFG-UHFFFAOYSA-N 395.242 3.758 0 40 GHAB CN(Cc1ccccc1)C(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 49546496 IHIMRPLTRBDIDP-UHFFFAOYSA-N 383.451 3.722 0 40 GHAB Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 22328565 VPTSKHYVDRGXNQ-SFHVURJKSA-N 388.533 3.564 0 40 GHAB C[C@@H](NC(=O)COC(=O)c1cccnc1Cl)C12CC3CC(CC(C3)C1)C2 6064490 NBUBGYBFCIZSJC-JSFDKUKPSA-N 376.884 3.613 0 40 GHAB O=C(COc1ncnc2sc3c(c12)CCC3)N[C@@H]1CCCc2ccccc21 6051676 LBCCXYNKHZTLPE-MRXNPFEDSA-N 379.485 3.753 0 40 GHAB Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 5269206 PUASSSNSZOSSAQ-UHFFFAOYSA-N 385.514 3.859 0 40 GHAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccncc2)no1 5323775 PIGOPNYGUOQHON-KRWDZBQOSA-N 393.786 3.888 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1C 4500144 NIFLZWIVXCPIAA-UHFFFAOYSA-N 397.475 3.620 0 40 GHAB CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCc3ccccn3)c12 6660196 DJZANQZAEWQYRK-MRXNPFEDSA-N 394.471 3.923 0 40 GHAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2cncn2-c2ccccc2)CC1 6648183 KQMLGVOEBUFIGW-UHFFFAOYSA-N 395.894 3.530 0 40 GHAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 20489949 LUHNJKCOPGQOMP-GOSISDBHSA-N 393.505 3.778 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(C)cc(=O)[nH]2)c2ccccc2)c1 67194069 SFFBBMQRZMLBBY-IBGZPJMESA-N 393.468 3.753 0 40 GHAB Cc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(Cl)cc1 9236495 BYPSKOKADVOEOX-SJORKVTESA-N 399.907 3.946 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CC=C(c2ccccc2)CC1 7457303 MNVMCMMKYHXJTB-QGZVFWFLSA-N 375.472 3.540 0 40 GHAB CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 3958982 ULEUMMGDTQLOKJ-XBESXDPPSA-N 394.515 3.975 0 40 GHAB biogenic,in-vitro O=C(Nc1ccccc1N1CCCC1=O)c1ccc(NC(=O)c2ccco2)cc1 8076289 NSMYYJSYPKRNSA-UHFFFAOYSA-N 389.411 3.911 0 40 GHAB O=S(=O)(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(F)c(Cl)c1 69090810 CTHCJJHJTLDWSJ-GOSISDBHSA-N 382.888 3.595 0 40 GHAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NC[C@@H]3CCCO3)cc12 8132929 MQWNVYNJKNJYLV-AWEZNQCLSA-N 375.881 3.958 0 40 GHAB CC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1cccnc1)CC[C@@H](C)C3 19797100 KYALVXHCISXKQY-GFCCVEGCSA-N 399.541 3.707 0 40 GHAB CCn1c(SCCOc2ccccc2)nnc1[C@@H](C)NC(=O)c1ccccc1 9327517 KWVHHIJQTYJOOA-MRXNPFEDSA-N 396.516 3.960 0 40 GHAB O=C(NCC(=O)N1CCC[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 9895454 IAGIRAWUOFWQDJ-QGZVFWFLSA-N 376.378 3.799 0 40 GHAB COCC[C@H](Nc1nc(C2CC2)nc2scc(-c3ccccc3)c12)C(N)=O 95463019 RBMXYYBGDBFAOY-HNNXBMFYSA-N 382.489 3.538 0 40 GHAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1csc(-c2ccoc2)n1 95953399 XNDYJRHJHPHXLS-UHFFFAOYSA-N 391.452 3.543 0 40 GHAB CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Br)c1OC 22076080 NGBUTBOLXGEAGG-INIZCTEOSA-N 380.282 3.680 0 40 GHAB CCCC(=O)Nc1ccc(OCC(=O)N2CCCc3ccccc32)c(C(C)=O)c1 21333906 HOHYXZFKYLGAJK-UHFFFAOYSA-N 394.471 3.986 0 40 GHAB CC[C@H](Oc1ccccc1F)C(=O)N1CCN(c2cccc(Cl)c2)CC1 408678952 LCWAZOVFKIABBU-SFHVURJKSA-N 376.859 3.985 0 40 GHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(O)cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409095084 HDSSESSODVCZIL-DFHBCGBQSA-N 384.398 3.917 0 40 GHAB O=S(=O)(c1ccccc1NCc1ccnc(N2CCCC2)c1)C(F)(F)F 32829310 YYGKWIAWFNDOFJ-UHFFFAOYSA-N 385.411 3.587 0 40 GHAB Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 36384037 UOUIXTOYOLMRHJ-AYBZRNKSSA-N 392.565 3.724 0 40 GHAB O=C(c1cnn2c1CCC2)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 516621364 QQDGIXUCRDGUHG-MRXNPFEDSA-N 397.523 3.745 0 40 GHAB C[C@@H](NC(=O)NC[C@H]1CCN1C1CCCCC1)c1ccc(N2CCCC2=O)cc1 527699413 HDIWSXDQLOFJTD-DYESRHJHSA-N 398.551 3.581 0 40 GHAB Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(C3CC3)nc3onc(C4CC4)c23)n1 36617402 RIJWKHYLNOCGGF-LBPRGKRZSA-N 379.464 3.609 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccccc1 30758455 COGQLTFGDCVZKG-XLIONFOSSA-N 388.533 3.725 0 40 GHAB Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)O)c(C)c3cc2c1C 11866855 XIBDKTHWNZRHSZ-KRWDZBQOSA-N 399.443 3.622 0 40 GHAB biogenic Cc1ccc2c(c1)cc(C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)C)c1)n2C 35316903 AMJQHFOAMMEPKB-UHFFFAOYSA-N 399.516 3.734 0 40 GHAB CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)CC(C)C)C1 72395966 UGDRQFJOUPBAGY-QHCPKHFHSA-N 397.519 3.675 0 40 GHAB CCN(CC)[C@@H]1Oc2cc3c(cc2[C@@H](c2cccc(OC)c2O)[C@@H]1C)OCO3 31861173 WPDLZCMMCBSTQN-VYALMSHHSA-N 385.460 3.958 0 40 GHAB COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4coc(C)n4)C3)n2)c1 72363265 ZAOREDIZQKEGQG-OAHLLOKOSA-N 394.431 3.594 0 40 GHAB CC(=O)N1CCC(N2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)CC1 72358191 XFEIFFYTTVTGNO-QHCPKHFHSA-N 381.495 3.959 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(C)Cc1ccc2c(c1)OCO2 40131138 PBFQAIBZHVYNDN-UHFFFAOYSA-N 395.434 3.558 0 40 GHAB COc1ccc2c(c1)OC(C)(C)CN(C(=O)NCc1nnc(C(C)C)s1)C2 562930792 CVLVYUFFHPRBPE-UHFFFAOYSA-N 390.509 3.553 0 40 GHAB COc1ccc(/C=C/C(=O)NCCOc2ccc(C)cc2C)c(OC)c1OC 223451924 NWYSHVIWECXQPM-DHZHZOJOSA-N 385.460 3.538 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)COC2CCCCC2)c1 44354578 DBTCFJUTGVCJGB-UHFFFAOYSA-N 396.553 3.622 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 223195359 DVIYQVGLYFYKCO-SFHVURJKSA-N 376.859 3.575 0 40 GHAB C[C@H](NC(=O)N1CCC2(CC1)OCCc1ccccc12)[C@H]1COc2ccccc21 574767021 DNLUPPYJSJMGEF-FXAWDEMLSA-N 392.499 3.825 0 40 GHAB O=C(N[C@H](c1cccnc1)C1CCOCC1)c1cc(-c2ccc(F)cc2)n[nH]1 225621507 KDNBYVWKRKTXLF-FQEVSTJZSA-N 380.423 3.509 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)NCc1nc(-c2ccccc2Cl)no1 223643255 PLAMCSWFXCOIKK-UHFFFAOYSA-N 398.271 3.663 0 40 GHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccccc2F)CC1 224923071 UDOWICUJUIWIGV-KRWDZBQOSA-N 382.479 3.821 0 40 GHAB O=C(NCCc1ccccn1)c1cc(-c2ccn(CC3CC3)n2)n2ccccc12 96154720 GOADLZGGVQKQBU-UHFFFAOYSA-N 385.471 3.580 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)C[C@H]3CC(C)(C)OC3=O)[C@@H]3CCCC[C@H]32)cc1 257367448 UVODLVCEAXGFHQ-XEOJFFABSA-N 385.504 3.815 0 40 GHAB CC1(C)OC[C@@H]2C[C@]21NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 528984955 ZETFYJBJRUUYNY-XFZFQEMNSA-N 398.528 3.825 0 40 GHAB COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCO[C@H](C(F)F)C2)c1 585080698 LYKDLSCTPVGBNL-KRWDZBQOSA-N 379.451 3.780 0 40 GHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(Cc1cccnc1)C3 257311483 UJQZSUBPOACVIH-AZUAARDMSA-N 380.488 3.841 0 40 GHAB CN(CC(=O)O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 263509691 XDWGEILXXSNMQW-GOSISDBHSA-N 397.475 3.882 0 40 GHAB O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)c1ccccc1CCC(F)(F)F 623002329 SJTAITPMINXUDH-KRWDZBQOSA-N 397.418 3.581 0 40 GHAB CC(C)c1noc(CN2CC[C@@H](C(=O)O)c3cc(Br)ccc32)n1 635019154 RRIWPDFMPKLDSJ-LLVKDONJSA-N 380.242 3.534 0 40 GHAB C[C@@H]1CCCc2ncc(C(=O)N[C@H]3CCc4nc(-c5ccccc5)ncc4C3)n21 651235837 LVJSXCQWGPURBY-QAPCUYQASA-N 387.487 3.525 0 40 GHAB C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2)c1cccc(NS(C)(=O)=O)c1 658252234 HVMIHWWRTGCTJU-QGTPRVQTSA-N 380.554 3.835 0 40 GHAB O=C(C[C@@]12CCCC[C@H]1C2(F)F)Nc1ccccc1-n1ncc2c(O)ncnc21 668100700 VIRDOWMYOCPIOX-BEFAXECRSA-N 399.401 3.675 0 40 GHAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 603620434 XPIJBGVYQPPELF-HSZRJFAPSA-N 383.447 3.998 0 40 GHAB COC(=O)c1nc(NC(=O)CCCn2cccc2)sc1-c1cccc(F)c1 604419813 ZRIMPQJRSFIDJJ-UHFFFAOYSA-N 387.436 3.956 0 40 GHAB O=C(c1cc(C2CC2)on1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099882 PEIZWRVEIGZPBW-UHFFFAOYSA-N 386.502 3.699 0 40 GHAB C[C@@H](NC(=O)N1CCC(c2ccccc2C(=O)O)CC1)c1c(F)cncc1F 666547812 PALPAJOAJUFAHC-GFCCVEGCSA-N 389.402 3.708 0 40 GHAB CCN1C[C@@H](CN(C)Cc2ccc(C(=O)N3CCCC3)cc2)Oc2ccccc21 69897094 JDAPRSSTLIRSBH-OAQYLSRUSA-N 393.531 3.642 0 40 GHAB O=C(Nc1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)ccc1Cl)c1cccs1 5027383 BWVMSLXIJHOYHU-YNHQPCIGSA-N 398.871 3.965 0 40 GHAB O=C(c1ncoc1-c1cccs1)N1CCN(c2nc3ccccc3s2)CC1 12115109 PTXYHYSJFRPRMS-UHFFFAOYSA-N 396.497 3.975 0 40 GHAB CC[C@H](C(=O)Nc1ccc(F)cc1F)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716493 RSOLXVPYSKWVAI-GOSISDBHSA-N 396.459 3.765 0 40 GHAB Cc1cc(C)cc(OCC(=O)O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 15220259 BFJRFZUNPSSONO-UWJYYQICSA-N 381.472 3.808 0 40 GHAB Cn1c(C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cc2cc(F)ccc21 19289733 HCEBPSIPHLPWHZ-UHFFFAOYSA-N 395.482 3.655 0 40 GHAB CCOCc1cc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ncccc3C)C2)ccc1OC 19531193 JIXVYRVGYVHUOQ-LEEZEASISA-N 396.531 3.665 0 40 GHAB CCn1c(=O)n(CC)c2cc(-c3cncn3C[C@H](C)N3CCCCC3)ccc21 19719632 NDAGXYWUFYUPQN-KRWDZBQOSA-N 381.524 3.581 0 40 GHAB Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1Cl 19935615 OBYZMRCHTZAVPB-UHFFFAOYSA-N 396.871 3.824 0 40 GHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 5646968 YUQNJZJASIQUIZ-MXNKGDRCSA-N 375.468 3.848 0 40 GHAB CC(C)(C)n1nnc(CC(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)n1 612459659 WFLVPZCBCZOJPB-UHFFFAOYSA-N 394.863 3.525 0 40 GHAB CC(C)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)nn1-c1nc2ccccc2s1 11027684 KSHURHJOZHIDOG-ZIAGYGMSSA-N 384.505 3.855 0 40 GHAB Cc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C4CCCC4)CC3)cc2n1 12160588 QOFWRCLISHTCEE-UHFFFAOYSA-N 380.414 3.953 0 40 GHAB CC[C@H]1CCCCN1CC(=O)N1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1 12205522 BGCUJDRKFVLFAQ-SFHVURJKSA-N 398.469 3.780 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3ccc4nc(C)c(C)nc4c3)nn2C)cc1 19664106 WAHGPHZUMONIEQ-UHFFFAOYSA-N 387.443 3.908 0 40 GHAB CN1C(=O)[C@]2(SCC(=O)N2c2cccc(C(F)(F)F)c2)c2ccccc21 8594661 MWXCGDVAISAMSY-QGZVFWFLSA-N 378.375 3.615 0 40 GHAB FC(F)c1cc(N2CCN(c3ncnc4ccsc34)CC2)nc(C2CC2)n1 1888904247 HGNYMJGMGJCJEI-UHFFFAOYSA-N 388.447 3.623 0 40 GHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(CCOc2ccccc2)CC1 1888978160 JGLIYZRSVMISJF-UHFFFAOYSA-N 395.478 3.635 0 40 GHAB O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccc(F)c(Cl)c1 23043729 KRWGIFIHFMGTLX-UHFFFAOYSA-N 375.875 3.626 0 40 GHAB Cc1c(Cl)cccc1C(=O)N1CCC2(CC1)CCN(c1cccnc1)C2=O 1565550905 JRIOBNWRPUGWGN-UHFFFAOYSA-N 383.879 3.703 0 40 GHAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)CSC3)cc1 4077184 FVYNQXDOIDDVFW-UHFFFAOYSA-N 381.457 3.889 0 40 GHAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 5075951 VVZDBHSFJMFFKD-UHFFFAOYSA-N 388.533 3.690 0 40 GHAB Cc1cccc(-n2ccnc(SCC(=O)Nc3ccc(F)cc3F)c2=O)c1 7615768 WSATVVGKIVOAIL-UHFFFAOYSA-N 387.411 3.550 0 40 GHAB COC(=O)c1c(NC(=O)Cc2ccc3c(c2)OCO3)sc2c1CC[C@H](C)C2 9521475 CENGMFAWHNQTJY-NSHDSACASA-N 387.457 3.569 0 40 GHAB O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cc(Br)ccc1Cl 10220429 SIPMUJYDEDCYGA-GFCCVEGCSA-N 388.689 3.908 0 40 GHAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4ccccc4F)c3)cn2n1 11693423 KLRINYCHDXNSMB-UHFFFAOYSA-N 392.390 3.805 0 40 GHAB COc1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1 13695117 PTAVAXVVOIKPAV-UHFFFAOYSA-N 394.471 3.792 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)c1ccccc1Br 1775965669 JBGSSBMDKVOPLO-CYBMUJFWSA-N 376.206 3.766 0 40 GHAB O=C(/C=C/c1cccs1)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 44005413 MSWARSQIBVTTKD-BQYQJAHWSA-N 387.480 3.961 0 40 GHAB COc1ccc2sc(Nc3nnc(-c4ccc5c(c4)OCCO5)o3)nc2c1 4359840 QVIBMHFZGHGKCV-UHFFFAOYSA-N 382.401 3.870 0 40 GHAB CCOc1ccc2nc(NS(=O)(=O)c3cc(C(=O)O)ccc3C)sc2c1 20193683 BNRZHVFXXXROMB-UHFFFAOYSA-N 392.458 3.502 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCC2)cc1 10429465 OWZZHSJZVSSKSQ-FQEVSTJZSA-N 383.467 3.819 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2cc(C)nc3ccccc23)N2CCOCC2)cc1 40156870 XRWPEKBIBYEONA-QHCPKHFHSA-N 389.499 3.655 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccnc(Oc3ccccc3)c2)c1C 40110642 DVOQVTSSEKIMMB-UHFFFAOYSA-N 393.443 3.926 0 40 GHAB C[C@H](C(=O)N(C)Cc1ccccc1Br)n1c(=O)oc2ccccc21 30550656 FBJJHUNMSMRADN-GFCCVEGCSA-N 389.249 3.577 0 40 GHAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2C)c1=O 40478528 QWBLOCVLPBBTGT-UHFFFAOYSA-N 399.878 3.564 0 40 GHAB CC1(C)NC(=O)N(CCSc2nnc(-c3ccccc3)c3ccccc23)C1=O 31443395 HKLZJQZZAQXDAC-UHFFFAOYSA-N 392.484 3.719 0 40 GHAB COc1cc(OC)c(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)cc1Cl 20427363 GSBWDYRZJFGQIM-BFUOFWGJSA-N 388.851 3.515 0 40 GHAB COC(=O)c1cc2ccccc2cc1OC(=O)Cc1cc(C(C)=O)ccc1OC 32674849 HCTWYDPFTSPPJR-UHFFFAOYSA-N 392.407 3.986 0 40 GHAB Cn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1-c1ccccc1 904384 JHXXGPOLXINQSW-UHFFFAOYSA-N 385.518 3.548 0 40 GHAB C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccc(-c2ccccc2)cc1 32764465 IBAPMNNCBVJIKG-KRWDZBQOSA-N 383.451 3.941 0 40 GHAB C[C@@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)Nc1cccc(Cl)c1 21498713 WOZGJWYCUUYCQM-SNVBAGLBSA-N 396.226 3.949 0 40 GHAB O=S(=O)(c1ccc(NC(=S)Nc2ccc(F)cc2)cc1)N1CCCCC1 2163382 LZWIBMIPDTXUHP-UHFFFAOYSA-N 393.509 3.809 0 40 GHAB OC[C@H]1CCCN1C[C@@H]1CCCN1c1ncnc2scc(-c3ccccc3)c12 79016308 RHGCYRYBGZAZFQ-ZWKOTPCHSA-N 394.544 3.784 0 40 GHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CC(=O)Nc2ccccc21 32865859 MVSQWOWNBDQSQQ-UHFFFAOYSA-N 381.413 3.501 0 40 GHAB C[C@@H](Sc1ncn(-c2ccccc2)n1)c1nc(N)nc(Nc2ccccc2)n1 21757243 STNGLHVVBATYOP-CYBMUJFWSA-N 390.476 3.631 0 40 GHAB COc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)c(OC)c1 4224296 OQUSUBJTDBYRJK-SFHVURJKSA-N 398.440 3.606 0 40 GHAB Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@H]2C1=O 4832683 RNFRRTLLBLSSGU-FGEXJBCWSA-N 395.458 3.538 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2C)cc1 4996847 WBNJREQIGHFFLP-UHFFFAOYSA-N 388.880 3.875 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)Nc2ccccc2N2CCCC2)c(C)c1 6613357 AKAQKVNLINWRFK-UHFFFAOYSA-N 383.517 3.796 0 40 GHAB COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)ccc1O 6641795 PYOYKWGLTCKUAR-JZWVFAODSA-N 381.472 3.909 0 40 GHAB CCCN1C(=O)S/C(=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)C1=O 6654723 HEDYJXUKEKLZOJ-ATVHPVEESA-N 383.473 3.935 0 40 GHAB CN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)NC2CCCCC2)c1 6681280 HMVQYYGMJCXDPG-UHFFFAOYSA-N 396.509 3.775 0 40 GHAB CCCn1ccc2cc(NC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)ccc21 58162978 HWNPPTGHZWGHQF-GOSISDBHSA-N 382.508 3.918 0 40 GHAB CCc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccccc2)cc1 8085516 PNVGBIUTTSQUSM-UHFFFAOYSA-N 388.533 3.607 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1ccccc1)Nc1cccc(C(F)(F)F)c1 8433548 ZZDIMJXKNOKVHX-UHFFFAOYSA-N 394.349 3.606 0 40 GHAB CCOc1c(Br)cc(C(=O)Nc2ccnn2C(C)C)cc1OC 22288343 CLFGBENWNQRZBR-UHFFFAOYSA-N 382.258 3.886 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 9063567 ZKDZZVUTFVQKNB-UHFFFAOYSA-N 384.451 3.853 0 40 GHAB CC(C)Cn1c(SCc2nc3ccsc3c(=O)[nH]2)nnc1-c1ccco1 9566896 BFZSOUGMNBZSFV-UHFFFAOYSA-N 387.490 3.784 0 40 GHAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccccc1C(=O)O 939391 QXLAQXFNVMPEEW-UHFFFAOYSA-N 385.470 3.609 0 40 GHAB Cc1nnc(S[C@H]2CC(=O)N(c3ccc(-c4ccccc4)cc3)C2=O)s1 1244818 JDDMASIYBUBLLC-INIZCTEOSA-N 381.482 3.938 0 40 GHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 12547897 XPHHUZLBNBYAMU-UHFFFAOYSA-N 389.333 3.802 0 40 GHAB COc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccccc4)C3=O)cs2)cc1 24844222 PECFOHKGYNCSPQ-OAQYLSRUSA-N 393.468 3.786 0 40 GHAB C[C@H]1CN(Cc2ccc(C(=O)N3CCC[C@H]3c3ccncc3)cc2)C[C@@H](C)O1 25094419 UNUIJOJNELQMBK-SVMVAKDDSA-N 379.504 3.668 0 40 GHAB CCc1noc(C)c1C(=O)N1CC=C(c2c(OC)cc(OC)cc2OC)CC1 26002811 DKGBXQQXXNSZNT-UHFFFAOYSA-N 386.448 3.501 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)cc1 3240609 YUTJFWIRZATNFM-OXJNMPFZSA-N 396.487 3.574 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)cc1 57477399 CEPJDDAAVWZZRV-ZDUSSCGKSA-N 381.432 3.594 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 20611123 REQKGYWCSJFDEE-UHFFFAOYSA-N 396.447 3.977 0 40 GHAB c1ccc(-n2nnnc2NCCCCCc2nc(-c3cccs3)no2)cc1 10216777 ICUHHWGRFIRILK-UHFFFAOYSA-N 381.465 3.599 0 40 GHAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 58222738 NOIPZHWHJYYJFV-UHFFFAOYSA-N 378.432 3.563 0 40 GHAB O=C(NCc1ccco1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20457394 XGNVYXUSILMABU-UHFFFAOYSA-N 390.848 3.664 0 40 GHAB Cc1cc(CNC(=O)CCn2c(-c3ccc(F)cc3)n[nH]c2=S)ccc1F 10552082 LZMNPYIOPBPXDU-UHFFFAOYSA-N 388.443 3.901 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)C3CC3)CC2)c1 36385044 HVKTYHQNFHFZOY-JOCHJYFZSA-N 391.515 3.537 0 40 GHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)c2ccc(OC(F)F)cc2)c1 3339917 JKFUTJKQCZRKHL-UHFFFAOYSA-N 390.415 3.856 0 40 GHAB CN(C)C(=O)[C@@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1 12796278 PWYFOZNUSPKVFH-NRFANRHFSA-N 389.503 3.913 0 40 GHAB CC(C)NC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 27242053 DJGPGWOOJWXJOA-UHFFFAOYSA-N 380.366 3.861 0 40 GHAB CCOc1ccc2[nH]c3c(N4CCN(c5ccc(F)cc5)CC4)ncnc3c2c1 2436782 ITEPWPQAMAOMOM-UHFFFAOYSA-N 391.450 3.976 0 40 GHAB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccccc1 113942217 FYESZOFZBOYPSG-FQEVSTJZSA-N 386.517 3.661 0 40 GHAB COc1cc(NC(=O)CSc2ccc(F)c(F)c2)ccc1N1CCCC1=O 11446918 DUDOKPKGLDCKEG-UHFFFAOYSA-N 392.427 3.831 0 40 GHAB Cc1ccc(Nc2oc3c(c2-c2cccc(F)c2)c(=O)n(C)c(=O)n3C)c(C)c1 11615581 ULJJYMJTUDWCTQ-UHFFFAOYSA-N 393.418 3.997 0 40 GHAB COc1ccc(OCc2noc(CN3CC=C(c4ccccc4)CC3)n2)cc1 12895053 HLDSJZSQOKLAOH-UHFFFAOYSA-N 377.444 3.947 0 40 GHAB O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccc2c(c1)OCO2 3582207 HYHOHCZEGOUMEP-UHFFFAOYSA-N 384.395 3.915 0 40 GHAB CN(C(=O)CSc1nnc(COc2ccccc2Cl)n1C)C1=CCCC1 12924571 LPQKWWLHMDBJEH-UHFFFAOYSA-N 392.912 3.666 0 40 GHAB Cc1c(N2C(=O)CS[C@@H]2c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C 17198105 HICQZTPNPRUKSF-HXUWFJFHSA-N 399.903 3.916 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2cc(F)ccc2NC(=O)N2CCCC2)c1 49549429 DLPSEIJESHOGHS-UHFFFAOYSA-N 384.411 3.664 0 40 GHAB C[C@H](NC(=O)N[C@H]1CCCc2ccccc21)C(=O)N[C@@H]1CCCc2ccccc21 13629841 LHHSMZZWVNOXPL-USCONSEESA-N 391.515 3.946 0 40 GHAB Cc1ccc(N2C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4393678 NLZDKFGNWVQPCC-QZTJIDSGSA-N 390.892 3.569 0 40 GHAB Cc1ccc2c(c1)S[C@@H](C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F)C2 14378042 VDEFHEQWFDFQTC-OAHLLOKOSA-N 394.418 3.526 0 40 GHAB O=C(NCc1ccccc1)c1ccccc1OCC(=O)N1CCCCCCC1 8506149 ACAMGFOLVBJAMM-UHFFFAOYSA-N 380.488 3.788 0 40 GHAB COc1cc2c(cc1OC)C1=NC(=O)CN1C(SCc1ccccc1C)=N2 5756186 XNJPEFQNYCZHAW-UHFFFAOYSA-N 381.457 3.536 0 40 GHAB Cc1cccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)c1 6808645 ZUWLVTSYSGOYAU-UHFFFAOYSA-N 375.472 3.925 0 40 GHAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)NCc1ccccc1 6916897 DQJIRRXSWXRRMV-UHFFFAOYSA-N 375.471 3.557 0 40 GHAB Cc1cccc2nc(CSc3nc(C4CC4)n(-c4ccccc4)n3)cc(=O)n12 7216148 ZVKCLHCNXKUWBE-UHFFFAOYSA-N 389.484 3.753 0 40 GHAB Cc1nc2ccccc2nc1OCC(=O)NCc1ccc(Cl)cc1Cl 7976606 GWDBCMJPZNCFEM-UHFFFAOYSA-N 376.243 3.940 0 40 GHAB O=C(CCC(=O)c1cccs1)NCCC(=O)Nc1ccc(F)c(Cl)c1 8919113 RJPAGMQIRWWIPT-UHFFFAOYSA-N 382.844 3.649 0 40 GHAB O=c1c2cnc(SCc3cccc(Cl)c3)nc2nc(O)n1-c1ccccc1 8969623 RZFHJAWCCGKNOG-UHFFFAOYSA-N 396.859 3.827 0 40 GHAB aggregator O=C(Nc1c(-c2ccccc2)nc2sccn12)[C@H]1COc2ccccc2O1 9378099 XVQUKZQSFZUNJN-MRXNPFEDSA-N 377.425 3.841 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 9514853 XEBNSUNKVIAHFE-LJQANCHMSA-N 383.883 3.595 0 40 GHAB CCOC(=O)[C@@H]1CC[C@H](NC(=O)/C=C/c2cc(Cl)c(OCC)c(OC)c2)C1 95418765 FOYLJSBLFMJUIW-SIEMXDPISA-N 395.883 3.609 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)N(Cc3ccco3)C3=CCCCC3)nc2n1 9862709 XDCWACJDEDEVCR-UHFFFAOYSA-N 397.504 3.913 0 40 GHAB Cc1nc2cc(NC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)ccc2o1 9883072 ZTPKXJSQXASGFU-UHFFFAOYSA-N 380.400 3.899 0 40 GHAB O=C(Cc1ccc(F)cc1)Oc1ccc(C(=S)N2CCOCC2)cc1Cl 98087157 FGPLXAVZSYPVTI-UHFFFAOYSA-N 393.867 3.635 0 40 GHAB O=C(Nc1nc(-c2ccccc2C(F)(F)F)cs1)c1ccc2nnnn2c1 95965231 JWFLDJZINQDORD-UHFFFAOYSA-N 390.350 3.519 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3cccs3)cn2)cc1 95962149 DASGGRSGYWDCFM-UHFFFAOYSA-N 390.511 3.950 0 40 GHAB Cc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccco5)CCN4C)nnn3c2)cc1 306143096 XTGUCTXKCOHVFA-QFIPXVFZSA-N 387.487 3.786 0 40 GHAB Cc1cc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)c2c(C)nn(C)c2n1 25043241 YNMVHTZLMOMRHR-UHFFFAOYSA-N 394.866 3.736 0 40 GHAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 408611587 UCJKLTKIHDFKIN-OAHLLOKOSA-N 396.390 3.931 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)c1 408672572 NYFJAUGUJCTSDW-DJKXOVBDSA-N 390.439 3.649 0 40 GHAB Cc1ccc(CNC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)c2ccccc12 515001487 WUUWEUMDHCYWQH-IBGZPJMESA-N 394.475 3.938 0 40 GHAB CCc1ccccc1NC(=O)CSCc1cc(=O)c2cc(OC)ccc2[nH]1 33064232 VNUOQLFMSWPYAE-UHFFFAOYSA-N 382.485 3.971 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H](c2cccc(C(=O)Nc3ccccn3)n2)C1 72359893 AOBWRNIKYRFTHS-OAHLLOKOSA-N 382.464 3.843 0 40 GHAB CC[C@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 219315993 BTQJVHKLELDYLF-SFHVURJKSA-N 395.459 3.870 0 40 GHAB CCc1c(C)nc2n(c1=O)CN(Cc1ccc(OC)cc1)CN2c1ccccc1 36128094 SMCFHZFRMNBGLJ-UHFFFAOYSA-N 390.487 3.692 0 40 GHAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)c(OCC)c2)SC1=S 35040825 UHXLRUIWMIQOJE-JXCQQFQQSA-N 395.502 3.636 0 40 GHAB O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCC1=CCCCC1 41253732 IHVFRYORDIPKHK-UHFFFAOYSA-N 385.895 3.961 0 40 GHAB CC(C)NC(=S)Nc1nc(N2C[C@@H](C)C[C@H](C)C2)cc(C(F)(F)F)n1 225890074 APNPXXFYXAJTAY-QWRGUYRKSA-N 375.464 3.673 0 40 GHAB O=C(N[C@H]1CCc2ccccc21)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1 48987929 ZPAUOTBYYLSNKS-FQEVSTJZSA-N 399.429 3.886 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCSCc2ccccc2C)cc1C 224497767 CQVRSIMXLNDHKG-UHFFFAOYSA-N 379.547 3.832 0 40 GHAB Cc1ccc(C)c(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225695713 SFVUKMYMYIIGJX-FQEVSTJZSA-N 380.532 3.830 0 40 GHAB COc1ccc(N[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1OC(F)F 40049970 ULJOPUDRBHZYNK-LLVKDONJSA-N 378.375 3.938 0 40 GHAB COC(=O)C[C@@H](c1ccc(Br)cc1)c1c(O)ccc2nsnc12 96232391 UHRXOBOBGKOQSN-NSHDSACASA-N 393.262 3.854 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1ccncc1 583614784 ARVIYNANSHTYRU-LVWPNOBMSA-N 390.487 3.839 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2OC)[C@@H]1c1ccccc1C 257204216 ATOODYGTGUCICX-KNQAVFIVSA-N 380.488 3.620 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257329251 XJBXMVVYKZCECZ-HJZJHAMVSA-N 381.520 3.669 0 40 GHAB COc1ccnc(CNC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1F 666883770 QQODQLNPOWOBPI-UHFFFAOYSA-N 383.427 3.860 0 40 GHAB COc1cc(NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccn2)C3)cc(OC)c1 390828666 BNWNHRVPWOGGMY-HOTGVXAUSA-N 383.448 3.705 0 40 GHAB Cc1nn(C)c2sc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)cc12 56250584 UKWVPPZGJKJVIE-UHFFFAOYSA-N 387.480 3.561 0 40 GHAB CCc1cc(=O)[nH]c(-c2ccc(N[C@@H](C)c3cc(OC)c(OC)cc3F)nc2)n1 97212510 XLENLSHHHRCPAJ-LBPRGKRZSA-N 398.438 3.724 0 40 GHAB Cc1ccc(-n2c(SCCCS(=O)(=O)N(C)C)nc3ccccc32)cc1 1188317291 NRCCMNBELIRACX-UHFFFAOYSA-N 389.546 3.708 0 40 GHAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccncc2)N1c1ccccn1 5322555 VZDIQQVMOVSHEQ-GOSISDBHSA-N 389.798 3.986 0 40 GHAB COc1ccc(Br)cc1CN(C)C(=O)c1cccc(NC(C)=O)c1 5421662 YHFDPJKEXDFZNH-UHFFFAOYSA-N 391.265 3.688 0 40 GHAB C[C@@H](C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1)c1ccccc1 12220855 FPRSODSWOQNQQC-UKRRQHHQSA-N 385.418 3.572 0 40 GHAB c1ccc2c(NCc3ccc(N4CCOCC4)nc3)nc(-c3ccncc3)nc2c1 12770315 SVONNSSNPWRFGV-UHFFFAOYSA-N 398.470 3.536 0 40 GHAB O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)Nc1cccc(Cl)c1Cl 13636773 JSRBRAGSOHMEIC-INIZCTEOSA-N 393.270 3.750 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc(F)cc1 19291203 NKRXPUPHBHQCRW-IBGZPJMESA-N 394.381 3.873 0 40 GHAB O=C(OCCC[C@H]1CCCO1)c1ccccc1C(=O)OCCC[C@H]1CCCO1 4684141 HMZMEQBUUZQNNN-QZTJIDSGSA-N 390.476 3.919 0 40 GHAB CCc1ccc(N2C(=O)/C(=C\c3ccccc3C(=O)O)C(C(=O)OC)=C2C)cc1 8085667 HFXHLYDWJWKGDJ-UYRXBGFRSA-N 391.423 3.824 0 40 GHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)cc1 8157493 QHQLZUIWWXHFQY-MHWRWJLKSA-N 386.404 3.509 0 40 GHAB CCOC(=O)[C@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O 3623382 XFVPZJMXRNBHLQ-INIZCTEOSA-N 377.227 3.715 0 40 GHAB in-man Cc1ccc(CN2CC[C@H]3NC(=O)COc4ccccc4CCCC[C@H]3C2)cn1 2037844261 ROKRXNIEPQZOQY-FCHUYYIVSA-N 393.531 3.502 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1 4062346 GBPXMBZRMHNOHE-UHFFFAOYSA-N 381.863 3.661 0 40 GHAB COc1ccc2c(c1)s/c(=N/C(=O)c1ccc(Br)cc1)n2C 12139797 APPHGDOBQZCLJV-FBMGVBCBSA-N 377.263 3.752 0 40 GHAB CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccccc2)CC1 22457009 KRADHUQCGOYLCW-APWZRJJASA-N 388.606 3.802 0 40 GHAB CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(F)cc3F)CC2)nn1 1775966138 SQZUEMYOHPMGLJ-UHFFFAOYSA-N 389.446 3.984 0 40 GHAB CN(C)[C@@H](CNS(=O)(=O)c1ccccc1Cl)c1cc2ccccc2o1 575622207 XUSXGQIADIQHLE-HNNXBMFYSA-N 378.881 3.667 0 40 GHAB NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccc(F)c2)s1 12442852 YLBONHVLYXGPDE-UHFFFAOYSA-N 387.461 3.779 0 40 GHAB Cc1cc(=O)oc2cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c(Cl)cc12 2333701 OJIKJXGXJQZBFP-SNVBAGLBSA-N 381.812 3.573 0 40 GHAB CCn1c(SCC(=O)c2cn(C)c3ccccc23)nnc1-c1cccnc1 10480631 YUKIKSOFGMOXOP-UHFFFAOYSA-N 377.473 3.827 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)NCc1cccnc1Oc1cccc(F)c1 40094313 HFDFDJWMQLAEHA-UHFFFAOYSA-N 394.402 3.991 0 40 GHAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40131540 SHZWRTRDWKFFQV-LSDHHAIUSA-N 388.899 3.541 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 40139356 SPICOUJAXTVWMI-UHFFFAOYSA-N 396.553 3.632 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nc(NC2CC2)c2ccccc2n1 31785230 JHWNUHXALBPSHV-ZDUSSCGKSA-N 396.520 3.674 0 40 GHAB COc1cc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)cc(OC)c1 20745759 TUZPBOVTMHGICP-SFHVURJKSA-N 392.415 3.739 0 40 GHAB Nn1c(COc2ccccc2F)nnc1SCc1nc2ccccc2s1 2617393 HHKAPSZYLLNHMQ-UHFFFAOYSA-N 387.465 3.612 0 40 GHAB Cc1ccc(C(=O)CCC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)s1 32788366 MFJCTIBHMUMNPX-UHFFFAOYSA-N 398.528 3.962 0 40 GHAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccccc2F)C1=O 2631162 XGBFNXFYQLZQGH-KRWDZBQOSA-N 377.213 3.555 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 8311991 IXNQUHYHAMGHPA-CQSZACIVSA-N 396.520 3.614 0 40 GHAB COc1ccc(-c2csc3ncnc(N[C@H](C)CC[S@@](C)=O)c23)cc1 78967832 MKUVHVCMIPRGCB-YDBLSZJJSA-N 375.519 3.936 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3ccccc3cc2O)c1C 2635804 MHDBVKMOOIUTPT-UHFFFAOYSA-N 395.411 3.707 0 40 GHAB Cc1ccc2cc(CN(CCCO)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 4231305 OVECDZBXCUHTKJ-UHFFFAOYSA-N 399.878 3.906 0 40 GHAB Cc1ccc(Cl)cc1N1CCN([C@@H](C)c2nnnn2-c2ccccc2)CC1 32916346 HBZPZXPROOIMKE-INIZCTEOSA-N 382.899 3.507 0 40 GHAB COc1ccc(C)cc1Nc1ncnc2c1nnn2Cc1ccccc1Cl 4922169 YROWQGNUOVXFMX-UHFFFAOYSA-N 380.839 3.984 0 40 GHAB COc1ccc2oc(=O)c(C(=O)O[C@H](C)C(=O)c3cccc(Cl)c3)cc2c1 2707933 RJPYZCWEPLSNRS-LLVKDONJSA-N 386.787 3.883 0 40 GHAB biogenic COc1cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc(OC)c1 51364458 MDIOOLGVOSSBHS-IBGZPJMESA-N 390.439 3.862 0 40 GHAB CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1nc2ccccc2c(=O)[nH]1 57449854 SOLYSSNEFGASSI-UHFFFAOYSA-N 398.894 3.654 0 40 GHAB Cc1ccc(-c2nnc(SCCN3CCOCC3)n2-c2ccccc2)cc1 33344709 XFNVKVALBQLNOL-UHFFFAOYSA-N 380.517 3.667 0 40 GHAB O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc2ccccc2c1 8132225 AYYIUMSYTZCKGI-UHFFFAOYSA-N 384.848 3.875 0 40 GHAB COc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)O)c2)c1 8434558 HMKLTLAHNUPNCJ-UHFFFAOYSA-N 390.395 3.898 0 40 GHAB CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810008 AGPONHWDLXALFN-UHFFFAOYSA-N 384.860 3.810 0 40 GHAB COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)c1 641327 ZGUYMKLIXYJTSM-FQEVSTJZSA-N 395.459 3.587 0 40 GHAB Cc1ccc(-c2cc(C(F)(F)F)nc(S[C@H]3CC(=O)[C@@H]4OC[C@@H]3O4)n2)cc1 101066377 VHSVBFVUAMIUAE-OFQRWUPVSA-N 396.390 3.646 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=O)C1CCN(Cc2cccc(C)c2)CC1 9062581 RHEAIAHUEYIUTP-QHCPKHFHSA-N 385.596 3.978 0 40 GHAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1nc(N2CCCC2)ncc1Cl 54282602 IVNVOSQGIVZPRG-OAHLLOKOSA-N 390.846 3.513 0 40 GHAB CCc1cc(Br)ccc1NC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O 101291634 KAIBOPVJDVZKPL-HGDXVPPDSA-N 390.277 3.719 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccn1 24778868 GAVPCQUDGUQPMC-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCC(C)(C)N2CCCCC2)cc1 24866127 QWAFPANPRWTZKA-UHFFFAOYSA-N 389.540 3.957 0 40 GHAB O=C(Nc1nc(CN2CCOCC2)cs1)c1ccccc1Nc1ccccc1 12528475 TYALIRXAMWHHKC-UHFFFAOYSA-N 394.500 3.971 0 40 GHAB CC(=O)Nc1cc(N[C@H](C)C(=O)Nc2cccc(Br)c2)ccc1F 25047236 WGLNBIYKJAUGLX-SNVBAGLBSA-N 394.244 3.986 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](C)O)c(NC(=O)Nc2cccc(Cl)c2)c1 1426253 RXGPFDWXBANBJO-LLVKDONJSA-N 377.828 3.702 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCN(C(=O)c2ccccc2)CC1 34858972 CTWLITNZDAJUKX-KRWDZBQOSA-N 375.472 3.506 0 40 GHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1 55741976 NADPIMIINURXSP-UHFFFAOYSA-N 379.460 3.914 0 40 GHAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)N1CCOCC1 25329491 PYLMYDSYZKUBKV-HNAYVOBHSA-N 392.421 3.897 0 40 GHAB CSCC[C@@H](C(=O)Oc1c(C)ccc(C)c1C)N1C(=O)c2ccccc2C1=O 3281493 SNTUYKSLXRYLAY-SFHVURJKSA-N 397.496 3.935 0 40 GHAB O=C(CSc1nnc(NC2CCCCC2)s1)NCc1ccc(F)cc1 3278811 WPCKHDFTRCZJSC-UHFFFAOYSA-N 380.514 3.830 0 40 GHAB Cc1cc(N2CCC(c3ccc(O)cc3)CC2)n2nc(C(F)(F)F)nc2n1 26705859 BQAZXVMXGNBRCU-UHFFFAOYSA-N 377.370 3.541 0 40 GHAB CC[C@@](C)(NC(=O)c1ccccc1)c1nc(-c2ccc(O)c(C(N)=O)c2)cs1 72294566 PJELNIPAECTBLC-OAQYLSRUSA-N 395.484 3.670 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1ccccc1Br)c1ccccc1F 12629566 SBVDTGWBEGKUSB-INIZCTEOSA-N 388.240 3.841 0 40 GHAB CCOC(=O)c1c(NC(=O)CNCc2ccc(F)cc2)sc(CC)c1C 57999650 ZDIIDJVPEMQUCF-UHFFFAOYSA-N 378.469 3.663 0 40 GHAB Cc1cc(NC(=O)c2sc3nc(Cc4ccccc4)[nH]c(=O)c3c2C)ccn1 10165173 JJECYAMQZIXVFA-UHFFFAOYSA-N 390.468 3.840 0 40 GHAB Cc1cc(F)ccc1NC(=O)[C@H](C)n1ncc(-c2ccc(Cl)cc2)nc1=O 44804144 PHSYWKYSJYRVBP-LBPRGKRZSA-N 386.814 3.606 0 40 GHAB Cn1cc(C(=O)Nc2ccc(Br)cc2)c(=O)c2cc(F)ccc21 22236266 JUDLDBDHMYNTOL-UHFFFAOYSA-N 375.197 3.692 0 40 GHAB COc1ccc(CC(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1 27993711 HKKSRSSZNSFSEI-UHFFFAOYSA-N 382.485 3.729 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1 3355090 QFCKADNCSXEJPF-UHFFFAOYSA-N 391.265 3.525 0 40 GHAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCCOc1cccc(Cl)c1 3343854 MWGNUUYYJQIXAD-LBPRGKRZSA-N 382.243 3.734 0 40 GHAB COc1cc(CN(C)CC(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1OC(F)F 58449052 JBWDHCGTOVLRIE-UHFFFAOYSA-N 394.418 3.759 0 40 GHAB O=S(=O)(c1ccc2c(c1)N=C(O)CS2)N1CCSc2ccccc21 36365699 LYCFWLHMXFGARS-UHFFFAOYSA-N 378.500 3.681 0 40 GHAB CNC(=O)c1cccc(CNC(=O)c2ccccc2Nc2ccc(OC)cc2)c1 36391228 IEXRAZIGMRBWEH-UHFFFAOYSA-N 389.455 3.728 0 40 GHAB Nc1c(C(=O)NC2CC2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 2361207 MRVDGWYSEKKDED-UHFFFAOYSA-N 377.835 3.702 0 40 GHAB Cc1nc(-c2ccsc2)sc1C(=O)O[C@H](C)C(=O)NCc1ccco1 22001663 MZKQZKVPJICYIE-LLVKDONJSA-N 376.459 3.635 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1ccccc1 2450295 OHNJKYYODVOZHZ-UHFFFAOYSA-N 398.488 3.713 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(C[C@H]1CCCO1)C3=O 2402695 UDEGRIFFFUISSP-OXQOHEQNSA-N 375.424 3.826 0 40 GHAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCC3=CCCCC3)C2=O)cc1 12784366 DBTDCBMOVOQSPI-HSZRJFAPSA-N 397.519 3.584 0 40 GHAB COc1ccccc1[C@H](C)N(C)CC(=O)NCC1(c2ccccc2)CCOCC1 48365528 DNZXLRCLJDBEKP-IBGZPJMESA-N 396.531 3.553 0 40 GHAB CC(C)CCn1c(SCC(=O)NC(C)C)nc2cc(Cl)ccc2c1=O 3529382 BOCUMHRMQHZXBM-UHFFFAOYSA-N 381.929 3.713 0 40 GHAB COc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)cc1OC(F)F 12920525 FKBQAUNMGJBFDG-QGZVFWFLSA-N 392.402 3.690 0 40 GHAB COc1ccc2cc(C(=O)NCC(=O)Nc3cccc(Cl)c3C)c(C)nc2c1 12997683 JPGGELYPBZDMHT-UHFFFAOYSA-N 397.862 3.882 0 40 GHAB CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@@H]1Cc1ccccc1 3653000 YYWUABJYAOCACI-NRFANRHFSA-N 381.435 3.755 0 40 GHAB biogenic COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCC(C)C 13039596 YRRJGZHPADOAOH-UHFFFAOYSA-N 382.526 3.635 0 40 GHAB C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 13134665 MDVCMNZZNKSUHU-BPNCWPANSA-N 382.432 3.504 0 40 GHAB O=C1c2ccccc2C(=O)N1CCSc1nc(NC2CC2)c2ccccc2n1 17735988 NUYLBIVGEXCTPJ-UHFFFAOYSA-N 390.468 3.592 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)c2)cc1 408711238 KVDOSQVOXBDGBE-FTRWYGJKSA-N 384.501 3.714 0 40 GHAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1cccnc1 13608573 YRQHMXPFLRGTBI-UHFFFAOYSA-N 379.847 3.846 0 40 GHAB CSc1cccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 409024651 MGRLZMWUPMPSAO-UHFFFAOYSA-N 398.937 3.775 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1cccc2ccccc12 6010656 AMJBEVKYJDJDCA-UHFFFAOYSA-N 394.446 3.523 0 40 GHAB CC(C)Oc1ccc(C(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 5071394 AJVDKGFMBITDRB-GOSISDBHSA-N 389.448 3.570 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1C 5289672 HXZAYHHICVKPHO-KSSFIOAISA-N 383.469 3.921 0 40 GHAB CCc1nnc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)s1 4540010 IHTXPCKREXEMBV-MRXNPFEDSA-N 379.441 3.807 0 40 GHAB Cc1nnc(S[C@H](C)C(=O)N2CCc3ccccc3C2)n1Cc1ccccc1 6509294 ZSDOZTMZWHRTGD-MRXNPFEDSA-N 392.528 3.700 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc(F)c(F)c3)cc2)n1 6508167 VHGWXPPCUCSGAV-UHFFFAOYSA-N 385.370 3.563 0 40 GHAB CCCn1nc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)ccc1=O 9256859 USEVLVFOKIDEAN-UHFFFAOYSA-N 377.400 3.814 0 40 GHAB O=S(=O)(c1cccc2nsnc12)N1CC=C(c2c[nH]c3ccccc23)CC1 19080023 FYNTXUKEAKTIIG-UHFFFAOYSA-N 396.497 3.651 0 40 GHAB Cc1ccc(Nc2nc(N)nc(COC(=O)[C@H](C)Sc3ccccc3)n2)cc1 7207775 PXVXFKRVBXKIDC-AWEZNQCLSA-N 395.488 3.730 0 40 GHAB CCN(C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 7630946 IVBSQFWINPQMBH-PWSUYJOCSA-N 396.361 3.510 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 408702399 FKHGLKFVZIAWOD-QGZVFWFLSA-N 377.824 3.931 0 40 GHAB Cc1ccnc2nc(C(=O)Nc3nc(-c4cccc5ccccc45)cs3)nn12 7688832 GRGZYBZBORHCQN-UHFFFAOYSA-N 386.440 3.962 0 40 GHAB Cc1cc(=O)n2c(n1)N=C(Nc1cccc(C)c1C)N[C@@H]2c1ccc(F)cc1 9013501 RWISOXWWSQAUBI-IBGZPJMESA-N 377.423 3.557 0 40 GHAB COC(=O)c1ccc2nc(NC(=S)Nc3ccc(N(C)C)cc3)sc2c1 409189058 HZQZNIMPUQHHKX-UHFFFAOYSA-N 386.502 3.958 0 40 GHAB C[C@@H]1C[C@@H](Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)C(=O)O1 8271111 MWVFYJFCPPUQOP-CXAGYDPISA-N 383.448 3.929 0 40 GHAB O=C(Nc1ccc(CN(C(=O)[C@H]2CCCO2)c2ccccc2)cc1)[C@@H]1CCCO1 72307979 STIQUBIHPMACSE-LEWJYISDSA-N 394.471 3.516 0 40 GHAB O=C(O)COc1ccccc1[C@H]1CC(O)=Nc2c1cnn2Cc1cccs1 72404218 BOEDOXXIKJYALZ-CQSZACIVSA-N 383.429 3.580 0 40 GHAB Cn1c(=O)n(C)c2cc(/C=C3\SC(=O)N=C3Nc3cccc(F)c3)ccc21 72401131 MQNVXMPJCRLTGH-SXGWCWSVSA-N 382.420 3.734 0 40 GHAB Cc1cc(Br)cc(C)c1NC(=O)N(CCN(C)C)C[C@H]1CCCO1 97577474 QIARYAKOZQTMNX-MRXNPFEDSA-N 398.345 3.640 0 40 GHAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(C)c(C)c1 20152110 YDKBNHXXIBQAFQ-UHFFFAOYSA-N 392.864 3.790 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1OCc1ccccc1Cl 409195941 WYJOQXVTLCRFKY-MHWRWJLKSA-N 386.835 3.840 0 40 GHAB COC(=O)c1cc(NC(=O)[C@H](C)SCc2ccccc2)cc(C(=O)OC)c1 22904348 PRCUTCCOOVHVMR-ZDUSSCGKSA-N 387.457 3.520 0 40 GHAB CCOc1ccccc1N(Cc1ccc(Br)cc1)S(C)(=O)=O 408627753 PIUKHYQWRYFMGW-UHFFFAOYSA-N 384.295 3.814 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 408551468 HZGXEGXENQXSPB-AWEZNQCLSA-N 378.469 3.563 0 40 GHAB C[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(OC(F)(F)F)cc1 32817070 SAKNCFAHIPMEBJ-VIFPVBQESA-N 381.276 3.678 0 40 GHAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cccc(OC)c2O)S1 408805852 LUTXHSJCVXRZKO-UHFFFAOYSA-N 391.856 3.826 0 40 GHAB CCc1nccn1-c1nccnc1C1CCN(Cc2ccc(OC)cc2)CC1 72350516 YNKGFOBCUCUZDK-UHFFFAOYSA-N 377.492 3.613 0 40 GHAB O=C(CN1CCC(c2ccncc2)CC1)Nc1ccc(N2CCCCC2)cc1 72346588 PHYJSVDRNXLIKW-UHFFFAOYSA-N 378.520 3.890 0 40 GHAB CC[C@H](C(=O)N[C@H](C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 37021570 AHIPUZOEMJCLIC-RDTXWAMCSA-N 394.924 3.762 0 40 GHAB CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1cccc(C(F)(F)F)c1 224355907 ZWFYNGBAYYKFHU-UHFFFAOYSA-N 393.413 3.804 0 40 GHAB Cn1c([C@H](O)[C@@H](O)c2nc3cc(Cl)ccc3n2C)nc2cc(Cl)ccc21 82086826 NKIIKDLWWOWLJX-HZPDHXFCSA-N 391.258 3.534 0 40 GHAB COc1cccc(N([C@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 220170290 VHTRGGMIJHXLRV-OAHLLOKOSA-N 390.505 3.612 0 40 GHAB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1NC(C)=O 223357817 AIEDRJOTLFRVEE-ZDUSSCGKSA-N 378.519 3.715 0 40 GHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(=O)c2ccccc2o1 46397447 PTOQKLQNXTWWQO-LJQANCHMSA-N 399.450 3.845 0 40 GHAB CNC(=O)c1ccc(/C=C/C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1 40058578 RKMLCVIHMNGGNL-KPKJPENVSA-N 391.496 3.808 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC[C@@H](O)CN1CCN(c3ccc(F)cc3)CC1)C2 226648765 PCYLJSIICAVAJD-GCBQAYLCSA-N 390.543 3.540 0 40 GHAB Cc1nc(C(F)(F)F)ccc1NC(=O)Nc1cnn(C2CCOCC2)c1C 572358547 KMCPRWDLHMQIMJ-UHFFFAOYSA-N 383.374 3.909 0 40 GHAB COc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 225139411 LHLVSNIMLYGUJN-GFCCVEGCSA-N 385.445 3.628 0 40 GHAB O=C(c1ccccn1)N1CCO[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257207567 BIIIWGDMXASQAV-GOSISDBHSA-N 383.835 3.528 0 40 GHAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCN(C(=O)N3CCCCC3)C2)n1 257219121 DFQZIDRJZFUKNG-OAHLLOKOSA-N 386.525 3.689 0 40 GHAB COc1ccc(CCN2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)cc1 257299098 RORYBEJWOZSWQK-OAQYLSRUSA-N 390.487 3.845 0 40 GHAB Cc1cc(F)c2nc(O)cc(C(=O)N3CCCN4c5ccccc5C[C@H]4C3)c2c1 685895501 UTEBKIHGTSBIQE-INIZCTEOSA-N 391.446 3.665 0 40 GHAB C[C@H]1C[C@H](NC(=O)c2cscc2C(F)(F)F)c2ccsc2S1(=O)=O 622059519 UWULSNJLRKIPFE-CPCISQLKSA-N 395.449 3.865 0 40 GHAB CCn1nc(C)c(S(=O)(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)c1C 1663705247 BPRJTEPQSJYMJD-UHFFFAOYSA-N 395.956 3.817 0 40 GHAB Cc1cccc(Nc2cc(C3CCN(C(=O)/C=C/c4cnc[nH]4)CC3)ccn2)n1 585290602 DGDCEWSYUGJUEP-AATRIKPKSA-N 388.475 3.671 0 40 GHAB COc1cc(-c2nnc(COC(=O)c3ccc(C)c(C)c3)o2)cc(OC)c1OC 5778007 BQEKILXKFNCBNW-UHFFFAOYSA-N 398.415 3.736 0 40 GHAB COc1nc2cc(C)ccc2cc1CN(Cc1ccc2c(c1)OCO2)C[C@H](C)O 12147969 KOXIVKRMTAYOGS-INIZCTEOSA-N 394.471 3.664 0 40 GHAB Cc1cc2c(cc1C)OC1(C=C2)CCN(CC(=O)NCc2cccs2)CC1 12187907 QVMZRLMRFCNPOI-UHFFFAOYSA-N 382.529 3.922 0 40 GHAB O=C(c1cnn(Cc2ccccc2)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 12579462 SISKZDTUNPITEZ-UHFFFAOYSA-N 385.471 3.828 0 40 GHAB CCCc1nn2c(=O)cc(CSc3ccccc3NC(=O)CC)nc2s1 15732010 KRNDAEATAAIQSC-UHFFFAOYSA-N 388.518 3.744 0 40 GHAB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)c2cccc(F)c2)C1)c1cccc(F)c1 16399119 NBKWVIQOSKPASS-HZPDHXFCSA-N 386.442 3.931 0 40 GHAB CCCC(=O)N1CCN(C)C(=O)[C@@H](Cc2cccc(-c3cccc(OC)c3)c2)C1 19501435 FSAOGJCCMWPCIX-NRFANRHFSA-N 394.515 3.622 0 40 GHAB CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)c3cccc(F)c3)CC2)n1 19525821 RQKWHRWACMGXNA-UHFFFAOYSA-N 393.466 3.978 0 40 GHAB Cn1cc(-c2csc(NC(=O)Cc3csc(-c4ccccc4)n3)n2)cn1 19715093 XDUCCYATWSPANT-UHFFFAOYSA-N 381.486 3.848 0 40 GHAB COCCN1CCCCCN[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643570373 BYPIEYUQNJKCTP-NRFANRHFSA-N 396.531 3.539 0 40 GHAB O=C(O)/C=C/c1cccc(NC(=O)c2cccc(I)c2)c1 157789635 FVFFMPTXVFYIIK-BQYQJAHWSA-N 393.180 3.641 0 40 GHAB O=C(CCc1ccccc1)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889166641 SXEKVQLAVCFRMB-FUHWJXTLSA-N 389.421 3.770 0 40 GHAB COc1ccc2o/c(=N\c3ccc(OC(F)(F)F)cc3)c(C(N)=O)cc2c1 1514166 QYZILCOJMZQEPY-QJOMJCCJSA-N 378.306 3.671 0 40 GHAB CC[C@@H](C)NC(=O)CCCn1c(=S)[nH]c2ccc(Br)cc2c1=O 2973721 IHAKZRRVEJMIIV-SNVBAGLBSA-N 398.326 3.516 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c(C)c1 4288085 IMCFRSQLEDSZGP-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@H]1c1ccc(F)cc1 4854364 FAPVHROMXQFROK-HXUWFJFHSA-N 379.391 3.993 0 40 GHAB O=C(CSc1nnc(NC(=O)NC2CCCCC2)s1)NC1CCCCC1 9743904 CYDRADMTTIAXNK-UHFFFAOYSA-N 397.570 3.533 0 40 GHAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(F)cccc3s2)cc1 10218602 QWPSWMZSSLVJMJ-UHFFFAOYSA-N 392.477 3.936 0 40 GHAB Cn1ccc(C(=O)N(Cc2cccnc2)c2nc3c(Cl)cccc3s2)n1 12444428 RWBOHRHADJOECI-UHFFFAOYSA-N 383.864 3.925 0 40 GHAB CO[C@@]1(C(=O)C(=O)Nc2ccccc2Cl)NC2(CCCC2)Cc2ccccc21 19848090 LWDQOPWYRNKOHJ-QFIPXVFZSA-N 398.890 3.806 0 40 GHAB Cc1nc2ccccc2nc1N1CC[C@H](Oc2ccncc2Br)C1 1775974767 PEBDCHVGQBRFOM-ZDUSSCGKSA-N 385.265 3.753 0 40 GHAB Cc1ccc(C)c(NC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3F)n2)c1 23138433 PFMDBYGRAZCRSA-UHFFFAOYSA-N 397.475 3.999 0 40 GHAB CC(C)n1cnc(S(=O)(=O)N2CCS[C@H](c3ccccc3Cl)CC2)c1 207002071 VSXZTFMVBAOVHI-INIZCTEOSA-N 399.969 3.986 0 40 GHAB O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)c1cc2ccccc2s1 575613536 SSNZBGUNOFQAMI-QFIPXVFZSA-N 381.497 3.946 0 40 GHAB CCCC(CCC)C(=O)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1 4583152 COKNSKABYCWBBY-UHFFFAOYSA-N 395.551 3.954 0 40 GHAB Cc1nc(S)sc1CC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 40017344 NOCHLBFLYOYSPP-HNNXBMFYSA-N 392.937 3.575 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N(C)C)cc1 32622168 LRAGAPDYGVXJPW-OAQYLSRUSA-N 393.487 4.000 0 40 GHAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N2CCCc3ccccc32)n1C 2622919 XLNWJVMPUWMCOH-AWEZNQCLSA-N 382.489 3.844 0 40 GHAB COc1cccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2ccco2)c1 1329470 SJGKERCFIJFIND-UHFFFAOYSA-N 398.488 3.687 0 40 GHAB COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4OC)C3)n2)cc1 1362739 FANISAIEXKFZTL-MRXNPFEDSA-N 393.443 3.774 0 40 GHAB CCOc1ccccc1CN(C[C@H](C)O)C(=O)c1ccc(OC(F)F)cc1 32819158 LMPVFZGXUOJJJE-AWEZNQCLSA-N 379.403 3.710 0 40 GHAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(=O)N(CC2CC2)C1 32815745 OFCVWFQTJDVURQ-JTQLQIEISA-N 394.315 3.921 0 40 GHAB Cc1ccc(OCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 3321424 CYJLUDWOSFCSLH-UHFFFAOYSA-N 386.451 3.869 0 40 GHAB Cc1ccc2nc3c(c(C(=O)O[C@H](C)C(=O)Nc4cc(C)on4)c2c1)CCCC3 21604663 LIWDQPCOCVPPRK-CQSZACIVSA-N 393.443 3.902 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCCCc3ccccc3)n2)cc1C 41254999 FLUSZYBWFYIBDQ-UHFFFAOYSA-N 389.499 3.666 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 7882051 XTPCWXLMBBNVDS-QFBILLFUSA-N 394.471 3.800 0 40 GHAB FC(F)c1cc(C(F)F)n(Cc2nc3c4c5c(sc4ncn3n2)CCC5)n1 2786548 VGCYQAKKMNOMGP-UHFFFAOYSA-N 396.373 3.948 0 40 GHAB CSCC[C@H](NC(=O)Nc1ccc(F)cc1F)c1nnc2ccccn12 12230489 LJKSPEMZHUXZDT-AWEZNQCLSA-N 377.420 3.623 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)cc1 8412520 CZFZMACVQRMULP-UHFFFAOYSA-N 398.459 3.684 0 40 GHAB COc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)O)cc2)c1 8470061 JZICCJUDRGNBLV-UHFFFAOYSA-N 390.395 3.898 0 40 GHAB CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)C1 103203033 UFIYWUYYLFQPKA-YEJXKQKISA-N 384.501 3.995 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(NC(=O)C2CC2)cc1 28045293 PQTHHHODBNHLFS-CQSZACIVSA-N 384.501 3.563 0 40 GHAB CN1CCN([C@H](CNC(=O)Nc2cccc(Cl)c2)c2cccs2)CC1 22424472 ZTRQUSVZZQEKGX-MRXNPFEDSA-N 378.929 3.512 0 40 GHAB O=C(O)c1cc(Cl)c(NC(=S)NC(=O)c2ccccc2F)c(Cl)c1 59843132 ZWYSWTQDLKZRJL-UHFFFAOYSA-N 387.219 3.958 0 40 GHAB CN(Cc1ccccc1N1CCCCC1)CN1C(=O)NC2(CCCCCC2)C1=O 23653745 MKSCJMRDKXXBBM-UHFFFAOYSA-N 398.551 3.711 0 40 GHAB Cn1cc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(Cl)cc2)cn1 61719757 DARIPYZAKXKBBI-GFCCVEGCSA-N 387.848 3.974 0 40 GHAB CCC[C@H](C)NC(=O)C1=C(c2ccccc2)c2ccccc2N(C)S1(=O)=O 20063450 YXAGQMDAKZYVDL-HNNXBMFYSA-N 384.501 3.530 0 40 GHAB CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1OC 12556147 QXLVLYVPGZXRTM-IIBYNOLFSA-N 382.460 3.839 0 40 GHAB CC(C)COc1ccc(-c2nonc2NC(=O)[C@@H]2COc3ccccc3O2)cc1 21149190 SETFFGJSBLAPCJ-SFHVURJKSA-N 395.415 3.550 0 40 GHAB O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(C(=O)c2ccco2)C1 25378641 VQIKNKKJXPFJIJ-LBPRGKRZSA-N 377.238 3.533 0 40 GHAB CCN1C[C@@H](CN(C)CC(=O)Nc2cccc(SC)c2)Oc2ccccc21 12557914 RQWADQSSHZETAG-QGZVFWFLSA-N 385.533 3.566 0 40 GHAB CC(C)NC(=O)Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 57486988 YQVBFZKXWRQYDV-UHFFFAOYSA-N 394.353 3.628 0 40 GHAB CSCC[C@H](C(=O)Nc1ccc(C)cc1C)N1C(=O)c2ccccc2C1=O 2064718 LOSPNTSYUQWMPG-GOSISDBHSA-N 382.485 3.660 0 40 GHAB O=C([C@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1)N1CCCCC1 12606463 ZROOSCVMHANGGY-JOCHJYFZSA-N 377.488 3.979 0 40 GHAB Cc1ccc(CCC(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c(C)c1 58182208 WKVDFJQOXDPBBR-UHFFFAOYSA-N 379.504 3.576 0 40 GHAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)n1 48230883 RIZWBZXTPLSIRD-AWEZNQCLSA-N 386.496 3.913 0 40 GHAB CCNc1c(NC(=O)Nc2ccc(OC)cc2OC)c(=O)oc2ccccc12 101093531 BHDUVESILXQNOX-UHFFFAOYSA-N 383.404 3.886 0 40 GHAB CCCCn1c(S[C@H]2CCCCNC2=O)nc2sc(C)c(C)c2c1=O 10287292 IMQNAXMWZPKUHA-ZDUSSCGKSA-N 379.551 3.636 0 40 GHAB C[C@@H](NC(=O)c1occc1COc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 58227290 PRRHRORDQXHMFA-CYBMUJFWSA-N 377.400 3.519 0 40 GHAB CCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 10342422 GVPVBYNTKUIGGV-XMMPIXPASA-N 383.451 3.974 0 40 GHAB O=S(=O)(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 36396626 AKFCZHJCLQMUGF-MRXNPFEDSA-N 385.316 3.546 0 40 GHAB CSc1nc2nc(C)c(CCC(=O)N(C)[C@H](C)c3ccccc3)c(C)n2n1 12777840 TVZYEPHTIAUPDV-CQSZACIVSA-N 383.521 3.615 0 40 GHAB O=C(CS(=O)(=O)c1ccc(Cl)s1)Nc1cccc(C(F)(F)F)c1 11666483 XHQDOIAWZOYINL-UHFFFAOYSA-N 383.800 3.833 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)NCc3ccc(Cl)cc3)o2)cc1 3592988 BFGKJRGQOKIAKT-UHFFFAOYSA-N 389.864 3.807 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(CS(=O)(=O)c2ccccc2)o1 12902039 FXQOQIPEMKLJLT-GOSISDBHSA-N 397.452 3.507 0 40 GHAB C[C@@H](NC(=O)Cc1nnc(S)n1Cc1ccccc1)c1ccccc1Cl 12935262 MDMLKCPUIPJWRG-CYBMUJFWSA-N 386.908 3.688 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 21875739 RQNLGMMTJQBNAU-KDOFPFPSSA-N 392.546 3.535 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)OCCO2 69536606 MUBCERCAFGOCAO-QFIPXVFZSA-N 391.471 3.830 0 40 GHAB C[C@H](OC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1c[nH]c2ccccc12 8526674 IQCBYWCRYOQIFZ-GUYCJALGSA-N 386.448 3.682 0 40 GHAB CCOC(=O)CSc1nc2c(c(=O)[nH]1)[C@H](C1CCCC1)Cc1ccccc1-2 8766931 AWXJWSOMESGZIW-INIZCTEOSA-N 384.501 3.922 0 40 GHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N(c1ccccc1)C(C)C 6033376 REMZZJFDOPJPMZ-UHFFFAOYSA-N 397.504 3.513 0 40 GHAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)O 8715808 CZLUDTPOKZSRIJ-UHFFFAOYSA-N 377.462 3.882 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Sc2nccn2-c2ccc(OC)cc2)cc1 5262939 DRFRIQOAPQEFQS-OAHLLOKOSA-N 397.500 3.687 0 40 GHAB CSc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 6362742 ZKQXBAJKGSONTJ-AZWQULSGSA-N 399.468 3.763 0 40 GHAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccncc3)ccc12 5325138 SJGAQRIQQKYMOQ-OAHLLOKOSA-N 380.444 3.533 0 40 GHAB CC[C@H](NC(=O)c1nn(C)cc1Br)C12CC3CC(CC(C3)C1)C2 6489250 KAYCJKNHUVVZEZ-ZJZJNUNYSA-N 380.330 3.907 0 40 GHAB COc1cccc(/C=C2\N=C(c3cccc(OC(F)F)c3)OC2=O)c1OC 14236494 PPPSLWKQTILRIE-UVTDQMKNSA-N 375.327 3.650 0 40 GHAB CCC(=O)Nc1cc2c(cc1C(=O)c1ccc(Br)cc1)OCCO2 4672114 IABIFRUTIKYETO-UHFFFAOYSA-N 390.233 3.800 0 40 GHAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1ncc(-c2ccccc2)o1 6605862 KZKOLNVDLVIOOW-HXUWFJFHSA-N 379.441 3.687 0 40 GHAB CCOc1ccc(-c2nsc(NC(=O)COc3ccccc3)n2)cc1OC 28286751 UAJRCBJXKXFVPO-UHFFFAOYSA-N 385.445 3.630 0 40 GHAB CC[C@H](C)NC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccco1 8708990 LUHKWMNOILJIQF-HNNXBMFYSA-N 384.505 3.517 0 40 GHAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C(C)=O)cc2)cc1 8725468 JQJQYCXDTQZVOI-UHFFFAOYSA-N 381.457 3.814 0 40 GHAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccccc3N3CCCC3=O)ccc(F)c21 8735369 VMNJGGUAAWQTST-CYBMUJFWSA-N 396.418 3.660 0 40 GHAB CCc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 22361793 DJVIBTAGDSEFLP-KRWDZBQOSA-N 388.533 3.509 0 40 GHAB CCn1c(SCC(=O)NC(C)(C)C)nc2scc(-c3ccco3)c2c1=O 8855587 ZXYYPZBJYNLPED-UHFFFAOYSA-N 391.518 3.745 0 40 GHAB CC[C@H](C)n1c(SCC(=O)Nc2ccccc2F)nc2cc(C)[nH]c2c1=O 67238915 AUEWVVZNOYYXSC-LBPRGKRZSA-N 388.468 3.874 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 15301180 FVXBVWKKYHWXLL-HXUWFJFHSA-N 398.478 3.783 0 40 GHAB O=C(CN1CCSc2ccccc21)Nc1ccccc1C(=O)NC1CCCC1 7493270 JFICJLDSSISZGT-UHFFFAOYSA-N 395.528 3.910 0 40 GHAB COc1ccc(Cn2nnnc2S[C@@H](C)c2nnc(-c3ccccc3)o2)cc1 16369329 CHUMIPIUWDIQCO-ZDUSSCGKSA-N 394.460 3.633 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(CN3CCCCC3)cc2)cc1 16402364 LVSAGCMUKYPXPQ-QGZVFWFLSA-N 396.487 3.865 0 40 GHAB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(OC)c1O 409004313 AFCWBRFAQSRCOB-ATVHPVEESA-N 385.441 3.688 0 40 GHAB Cn1c(=O)n(C)c2cc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc21 408563795 QCXBBXPGCUQGAG-XBXARRHUSA-N 376.243 3.836 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(O)=Nc2nnc(-c3ccco3)n21 72403267 WCBQOGWYILGPLL-LLVKDONJSA-N 375.747 3.502 0 40 GHAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccccc1N1CCCCC1 22844664 XORQZVVJKLQLNC-UHFFFAOYSA-N 387.430 3.714 0 40 GHAB O=C(O)C[C@@H](NC(=O)Cn1c(C2CC2)nc2ccccc21)c1ccccc1Cl 95424079 FAGFWROJISMTJD-QGZVFWFLSA-N 397.862 3.899 0 40 GHAB Cc1c(C(=O)N2CCC[C@@H]2c2ncc[nH]2)cnn1-c1cccc(C(F)(F)F)c1 95458551 URFAQEVVFOXSCV-MRXNPFEDSA-N 389.381 3.900 0 40 GHAB CSc1cccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c1 408597898 WGFZQFALWKMLLN-UHFFFAOYSA-N 393.534 3.987 0 40 GHAB CC(C)Cc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)s1 36366870 JHXUPSWTONCFBA-UHFFFAOYSA-N 385.445 3.521 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 30495982 OMQIVXPROLBRKL-CYBMUJFWSA-N 378.881 3.506 0 40 GHAB CCc1nccn1-c1cccc(C2CCN(C(=O)c3scnc3C)CC2)n1 72378607 OHLIMZRGNCPMEQ-UHFFFAOYSA-N 381.505 3.614 0 40 GHAB O=C(CCc1nc(-c2cccc(F)c2)no1)NCc1ccc(F)c(Cl)c1 72332163 PFFFLETYWUKKOO-UHFFFAOYSA-N 377.778 3.917 0 40 GHAB O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)NCCC1=CCCCC1 71327960 RCFICZVXXLULSL-UHFFFAOYSA-N 393.531 3.985 0 40 GHAB Cc1nnsc1C(=O)N(C[C@H]1CCCO1)c1nc2c(Cl)cccc2s1 38839587 JKSWVJOKTNYMRP-SNVBAGLBSA-N 394.909 3.935 0 40 GHAB Cc1nc(C)c(C(=O)N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)s1 36687747 BERCNGOLKAWWOK-UHFFFAOYSA-N 394.472 3.610 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(Cl)cc1Cl 71281527 IPBVFICOOIUCOR-GFCCVEGCSA-N 382.247 3.536 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)cn1 566897816 VLURKDBMQVDXNU-BRSBDYLESA-N 393.443 3.608 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 220358240 LMZXHMZBNUSXBW-HUUCEWRRSA-N 394.924 3.680 0 40 GHAB Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1C 44791263 JEPKUJKGHXQZPW-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c(C)c1 222522306 GTDBDBNQJKPVHI-AWEZNQCLSA-N 394.924 3.844 0 40 GHAB CCCSc1ncc(Cl)c(C(=O)NCCC(=O)Nc2ccccc2C)n1 41156131 OESYDFIHYFVYGD-UHFFFAOYSA-N 392.912 3.699 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccc(F)cc1F 220078731 VQKOXGYXJRZSPL-UHFFFAOYSA-N 390.411 3.523 0 40 GHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)c(OC)c1 224795526 RKJKEKRIAJOPCM-RTBURBONSA-N 380.473 3.604 0 40 GHAB CC(C)Sc1ccccc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 40159730 HJTSZDZANQBFTD-LJQANCHMSA-N 384.545 3.818 0 40 GHAB Cc1ccccc1CN(C(=O)COc1ccccc1C)[C@H](C)C(=O)NC(C)C 225476834 BQVWRHZZFNJZAB-LJQANCHMSA-N 382.504 3.624 0 40 GHAB S=C(NCc1cccnc1)Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1 225942356 IPVJDDMAKIADOI-UHFFFAOYSA-N 396.907 3.532 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C)c1 223000604 IIMSGVMLRAAXCP-LEWJYISDSA-N 392.528 3.800 0 40 GHAB COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C[C@@H](C)CC(=O)O 579494786 BFPWGQZHYVTIQG-RISCZKNCSA-N 384.270 3.622 0 40 GHAB Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2)n1 257303038 SFNKOTKVIDYBAF-RTWAWAEBSA-N 377.488 3.576 0 40 GHAB Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)CCCn2cccn2)nc1 257232468 GKZDXQLHNVMRSG-LJQANCHMSA-N 379.464 3.694 0 40 GHAB N[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1c1ccccc1F 623072918 UPLBLEUNYDBKEV-GOEBONIOSA-N 383.345 3.683 0 40 GHAB CN1C(=O)C[C@H](C(=O)NCCc2c[nH]c3cc(Cl)ccc23)c2ccccc21 1115913926 ZOTOMQWKOLRQRQ-KRWDZBQOSA-N 381.863 3.630 0 40 GHAB CCc1cc(=O)n2[nH]c(NC(=O)c3cc(-c4ccccc4)ccc3Cl)nc2n1 1131778915 VEFDZGIOKQMEFJ-UHFFFAOYSA-N 393.834 3.553 0 40 GHAB CSCC1(CCNC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)CC1 596736533 ILTJQHSTTWEEGD-INIZCTEOSA-N 385.537 3.852 0 40 GHAB O=C(CCSc1ccccc1)NCc1nnc2ccc(-c3ccsc3)nn12 390826990 RTZQTESRWUFLMV-UHFFFAOYSA-N 395.513 3.651 0 40 GHAB Cc1c(O[C@H](C)C(=O)O[C@@H](C)C(=O)O)ccc2c(=O)c(-c3ccccc3)coc12 725403159 YLROTNHBRBCJRC-UONOGXRCSA-N 396.395 3.552 0 40 GHAB COc1ccc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c(C)c1 1615129209 LLGYTTZUGBUOFX-QHCPKHFHSA-N 398.478 3.541 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1 5612887 XCECNACPGLLBML-UHFFFAOYSA-N 389.835 3.631 0 40 GHAB CCOc1ccc(CN2CCC[C@@H]3CN(C(=O)c4ccc(OC)cc4)C[C@@H]32)cc1 12188393 COWRFWZWAZCGFB-OFNKIYASSA-N 394.515 3.831 0 40 GHAB COCCn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21 12240473 HFOBSMZETDNRFD-UHFFFAOYSA-N 382.479 3.910 0 40 GHAB O=C(/C=C/c1ccccc1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 15787633 ZCKDWWPDINUYQV-VOTSOKGWSA-N 382.332 3.744 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 16312920 PCGOTFRIAUIUHK-UHFFFAOYSA-N 394.924 3.833 0 40 GHAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)C[C@@H]1C=CCC1)Cc1ccccc1O2 19016257 QDHPQVCMEHWLOL-JVIIGWRGSA-N 396.531 3.924 0 40 GHAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)Cc1cccc(C)c1 19234811 JRJIJHUBOGUYPR-CQOQZXRMSA-N 394.490 3.682 0 40 GHAB CCCC(=O)N1CCN(C)C(=O)[C@@H](Cc2ccccc2-c2ccccc2OC)C1 19501443 GVNPEOKRDNHMSH-IBGZPJMESA-N 394.515 3.622 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(-c2ccccc2F)cs1 19578598 WQVWLCUOGHWNMH-UHFFFAOYSA-N 396.451 3.575 0 40 GHAB COC(=O)c1cccc(NC(=O)COc2ccc(C3SCCS3)cc2)c1 19598584 YNGNDVADYQRPGF-UHFFFAOYSA-N 389.498 3.969 0 40 GHAB O=C(CN1CCC(Oc2ccc(F)cc2)CC1)Nc1ccnn1C1CCCC1 19659269 ZBCOGYCSIUNRRY-UHFFFAOYSA-N 386.471 3.619 0 40 GHAB CCOc1ccc(C(=O)NC2CCN(C(=S)Nc3cccc(C)c3)CC2)cc1 35292229 QDLYHQCQLQMJAB-UHFFFAOYSA-N 397.544 3.985 0 40 GHAB COc1ccc(CN(CC2CCC2)C(=O)Cc2c[nH]c3ncccc23)c(OC)c1 511768931 OLOZTHCKIIVAHW-UHFFFAOYSA-N 393.487 3.952 0 40 GHAB O=C(Nc1cnc(-c2ccccc2)nc1)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 653948673 CXMCZLCWDFDEMA-GJZGRUSLSA-N 380.370 3.765 0 40 GHAB CC(=O)NC1(c2ccc(F)cc2)CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 12188394 IZIQTDIQCZVLTK-HXUWFJFHSA-N 390.886 3.640 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 27382223 HTVVIGQPOGFJBI-NVXWUHKLSA-N 399.491 3.933 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3c(F)cccc3F)CC2)CN1c1ccccc1 2037840453 MYIREIVMCINVLR-QFIPXVFZSA-N 386.442 3.753 0 40 GHAB CCC(CC)C(=O)Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1 4086553 GZRATVCVVBEBIT-UHFFFAOYSA-N 382.486 3.783 0 40 GHAB COc1cccc2sc(N(CCCN(C)C)C(=O)COc3ccccc3)nc12 4359745 RLHCYCJKLZKVHF-UHFFFAOYSA-N 399.516 3.669 0 40 GHAB CC(=O)Oc1ccc2c(c1)O[C@H](c1ccccc1)C[C@@]21CC(C)(C)NC(=S)N1 13879159 AYSYGLFCZRLLKZ-SIKLNZKXSA-N 396.512 3.977 0 40 GHAB CCSc1nc(=O)c2c([nH]1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccccc1 18037036 SEQPDOKLJVFGOF-OAHLLOKOSA-N 385.489 3.665 0 40 GHAB COc1ccc(CNC(=O)c2cnn3c(-c4ccc(C)c(C)c4)ccnc23)cc1 23126389 MAVGJOHCUSZSJB-UHFFFAOYSA-N 386.455 3.952 0 40 GHAB CC(C)(C)c1csc(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 23137158 DUAFXFVMCMARHB-UHFFFAOYSA-N 391.968 3.981 0 40 GHAB O=C(c1c[nH]c(=O)c(Cl)c1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219328436 VQCDWQUIRIJFHF-HNNXBMFYSA-N 384.835 3.627 0 40 GHAB COc1ccc2nc(N3CCC[C@@H](C(=O)N4CCC(F)(F)CC4)C3)sc2c1 2298218165 XPRRHTVFSULSCF-CYBMUJFWSA-N 395.475 3.779 0 40 GHAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCc4ccccc4C3)c2)n1 40121415 QJFPWKBLBCEXMW-UHFFFAOYSA-N 390.443 3.639 0 40 GHAB C[C@]1(c2cccc(NC(=O)c3cc4c(s3)CCCCCC4)c2)NC(=O)NC1=O 40111239 LOBGSYSVFXDGHS-OAQYLSRUSA-N 397.500 3.714 0 40 GHAB COc1c2c(cc3c1[C@H](CC(=O)c1ccc(SC)cc1)N(C)CC3)OCO2 20112443 ZYKOXUBQWKOMLL-INIZCTEOSA-N 385.485 3.948 0 40 GHAB biogenic COc1ccc(CCN(C)C(=O)c2sc3nc(C)nc(C)c3c2C)cc1OC 30866725 GLEOJBRUCWBFIK-UHFFFAOYSA-N 399.516 3.948 0 40 GHAB COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)CN(C(C)C)CC5)cc1 20266171 FIJGZCKARUGXFZ-UHFFFAOYSA-N 393.516 3.705 0 40 GHAB COc1ccc(C)cc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1 40484500 OEUYGADTCUXRFK-IBGZPJMESA-N 375.432 3.523 0 40 GHAB CC(C)C[C@H](NC(=O)c1nc(SCc2ccccc2)ncc1Cl)C(=O)O 41097695 NNFQTNDLIJDYTQ-AWEZNQCLSA-N 393.896 3.651 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 810411 BIJYMQIIKHAZCE-LBPRGKRZSA-N 378.350 3.706 0 40 GHAB CC(=O)Nc1ccc(-c2nc3c(Br)cc(NC(C)=O)cc3[nH]2)cc1 825603 XAWNZKKQLNBWHS-UHFFFAOYSA-N 387.237 3.909 0 40 GHAB O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1ccc(Cl)cc1 1381483 HBFMCIFSKVXOBP-UHFFFAOYSA-N 396.925 3.548 0 40 GHAB CC[C@@H](CNC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C)c1ccccc1 32817966 GUWOBGNPZPASAT-KRWDZBQOSA-N 394.519 3.836 0 40 GHAB Cc1nnc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)s1 4187974 DSTPKOPHTWWBHN-MRVPVSSYSA-N 391.547 3.707 0 40 GHAB CC(=O)Nc1ccc(C(=O)CSc2nnc(C)n2-c2ccccc2)c(F)c1 6985213 HBJWXACWCJZMMC-UHFFFAOYSA-N 384.436 3.648 0 40 GHAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)c1 7882538 GSYFUNUARFPMSK-SFHVURJKSA-N 394.471 3.860 0 40 GHAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1F 102722976 IMEVDSRFMICGCF-QHAWAJNXSA-N 388.398 3.877 0 40 GHAB C[C@@H]1CCc2nc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)sc2C1 10218879 LLKIEZNRVUQTAK-GFCCVEGCSA-N 396.509 3.600 0 40 GHAB CCc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 8414794 IRRCMMLHJNATRF-UHFFFAOYSA-N 388.851 3.803 0 40 GHAB C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCN(C/C=C/c2ccccc2)CC1 22774318 KFDSRYMGECQPKP-GEDDFEBSSA-N 389.543 3.684 0 40 GHAB CCN1CCC[C@@H]1CNC(=S)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 104650658 OWEWYUVKUZQWHC-WIYYLYMNSA-N 393.560 3.601 0 40 GHAB CN(CC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1)C(=O)c1ccco1 54660376 ZNAYYKXVJVRCCF-UHFFFAOYSA-N 375.856 3.634 0 40 GHAB O=C([C@H]1Cc2ccccc2O1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 24148594 XGNLKLOMUVZFQG-XMMPIXPASA-N 398.506 3.924 0 40 GHAB O=C1COc2cc(C(=O)N(Cc3cccs3)Cc3cccs3)ccc2N1 24465776 LPDOAJGIZLOIIA-UHFFFAOYSA-N 384.482 3.983 0 40 GHAB COC(=O)C[C@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccc1Cl 12535850 STVBKXYNXBTMAH-KRWDZBQOSA-N 383.835 3.764 0 40 GHAB COc1ccccc1C(=O)NC[C@H]1CC[C@H](c2ccnc3cc(C)nn32)CC1 100159293 HCIMJLQQFRUOQH-CALCHBBNSA-N 378.476 3.750 0 40 GHAB COc1cc(-c2c3c(nc4cc5c(cc24)CCC5)COC3=O)cc2c1OCO2 35326565 MYFRASXBHWMMTN-UHFFFAOYSA-N 375.380 3.798 0 40 GHAB COc1ccc(C(=O)[C@H](C)n2nnc(-c3ccc(Br)cc3)n2)cc1 57485095 RFNISWPGUUCFSC-NSHDSACASA-N 387.237 3.555 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-c3ccccc3F)o2)c1 57681257 YMDQFWGCRHXABB-UHFFFAOYSA-N 389.404 3.837 0 40 GHAB CC1=C(c2ccccc2)[C@@H]2[C@@H]3C=C[C@H](n4c(=O)n(-c5ccccc5)c(=O)n43)[C@]12C 104290165 IBMOYNVTDRYDMG-RSKVWTTASA-N 383.451 3.576 0 40 GHAB CCCOC(=O)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 2069768 OMMLGKDPKXRZIF-UHFFFAOYSA-N 384.837 3.683 0 40 GHAB CN1N=C(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)CCC1=O 27449357 JMLYIIPZEGOVFR-UHFFFAOYSA-N 380.429 3.635 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@H](NCc2ccc(F)cc2)c2ccccc2)cc1 58167052 XESQXNBOZHPWKO-QFIPXVFZSA-N 398.503 3.944 0 40 GHAB O=C(COC(=O)c1cncc(Br)c1)Nc1cccc2ccccc12 3322180 POJHGQSDUAYJJO-UHFFFAOYSA-N 385.217 3.793 0 40 GHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1(C)C 58427499 XCWCMOFNDOWIHB-AZUAARDMSA-N 390.487 3.721 0 40 GHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2OC)CC1 408681836 ZQMGLXUHXVSNGN-LJQANCHMSA-N 388.895 3.855 0 40 GHAB CCOC(=O)[C@](O)(c1ccc(NC(=O)Oc2ccccc2)cc1)C(F)(F)F 2257399 LISVHODEVVUFEA-QGZVFWFLSA-N 383.322 3.611 0 40 GHAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1 12767838 XUBWGCUFBCLEJL-UHFFFAOYSA-N 393.512 3.606 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Sc2nncs2)cc1OC1CCCC1 36397082 OAGNNHZCEXPRDM-LLVKDONJSA-N 379.507 3.987 0 40 GHAB CN(c1ccccc1)c1nnc(SCc2ccccc2)n(-n2cccc2)c1=O 28536069 ZCAOVQNPUSCYLC-UHFFFAOYSA-N 389.484 3.811 0 40 GHAB Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)C(C)C)cc3n2)cc1Cl 408619874 IEGGCEKENQHXAD-UHFFFAOYSA-N 387.896 3.851 0 40 GHAB CN(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)[C@@H](c1ccccc1)c1ccc(F)cc1 12815671 LSYVKXPYXATFFN-HBMCJLEFSA-N 378.447 3.756 0 40 GHAB COc1ccccc1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 12866673 KKTVLKCKLGMCEU-UHFFFAOYSA-N 382.460 3.807 0 40 GHAB Cc1c(CC(=O)NC[C@@H](C)O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 12895201 SVLORTWFFFCFAX-CYBMUJFWSA-N 391.423 3.554 0 40 GHAB biogenic C[C@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc2c(c1)CCCC2 29695912 CEQADQAHOSJIGH-HNNXBMFYSA-N 378.472 3.706 0 40 GHAB COCCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccccc21 3405177 RKQAQCGCGVTRFO-UHFFFAOYSA-N 381.501 3.902 0 40 GHAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 8328558 IBAZTVIJUSFXBS-UHFFFAOYSA-N 379.437 3.573 0 40 GHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2CN(Cc3ccncc3)C[C@H]21 306128572 HFDWTPMKFKDOPS-FXAWDEMLSA-N 382.510 3.565 0 40 GHAB CNC(=O)NC(=O)[C@@H](Sc1ncnc2sc(C)c(C)c12)c1ccccc1 3558044 RPPGGRRUYMCYAL-AWEZNQCLSA-N 386.502 3.597 0 40 GHAB CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2ccc(OC)cc2nc1C 12907879 XDYAYRNYKGUODQ-UHFFFAOYSA-N 391.471 3.825 0 40 GHAB Cc1cc(C)n(-c2ccc(S[C@@H](C)c3nc(-c4ccncc4)no3)nn2)n1 12939776 VCXSQQVEYVANNY-ZDUSSCGKSA-N 379.449 3.577 0 40 GHAB Cc1cc(C(=O)COC(=O)c2cccnc2Cl)c(C)n1-c1nccs1 6064710 QHUKDUIINCTPOO-UHFFFAOYSA-N 375.837 3.639 0 40 GHAB O=C(OCCCc1cccnc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 49960520 ABRMPLGYVPCTIN-PQCJFMQRSA-N 396.531 3.765 0 40 GHAB CC(=O)N1CCC(NC(=O)c2ccccc2OCc2ccccc2Cl)CC1 39979639 AKKDLKWPOSAREB-UHFFFAOYSA-N 386.879 3.660 0 40 GHAB CC(=O)Nc1ccc(C(=O)CSc2nc(O)c3c(C)c(C)sc3n2)cc1 5239092 WHICCGPCSVWCIP-UHFFFAOYSA-N 387.486 3.947 0 40 GHAB O=S(=O)(c1ccc(SCc2c(F)cccc2Cl)nc1)N1CCCC1 5261639 XOHPNRGIIJDJEG-UHFFFAOYSA-N 386.901 3.951 0 40 GHAB C[C@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)c1c[nH]c2ccccc12 6362280 QWMKZUQUKZXNJE-AWEZNQCLSA-N 376.412 3.723 0 40 GHAB COc1cccc(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)c1 5334746 FFCDNEVCIKZCHW-DEOSSOPVSA-N 386.451 3.885 0 40 GHAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1nnc2ccccn12 14251059 LYXPRQBTGUKZCJ-OAHLLOKOSA-N 375.259 3.942 0 40 GHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O 4613802 ZIIUGAYNVPUFSV-LDADJPATSA-N 397.452 3.865 0 40 GHAB Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc2c(c1)CCC2 5579376 JTTSNAROWNFMHC-UHFFFAOYSA-N 384.530 3.687 0 40 GHAB Cn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1cccc(F)c1 4736284 AKUVAEBWZTWBRT-UHFFFAOYSA-N 399.476 3.962 0 40 GHAB CCOC(=O)c1c(C)csc1NS(=O)(=O)c1c(C)nn(CC(C)C)c1C 97117272 ZXHVETXVHYHOHO-UHFFFAOYSA-N 399.538 3.503 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 5780779 GYOKUZAJUCBTHO-UHFFFAOYSA-N 396.243 3.816 0 40 GHAB COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccccc3)oc12 67293671 OMJNPJQPNNXRDU-ISWCOFGISA-N 378.428 3.583 0 40 GHAB Cc1c(F)cccc1-n1nnc(C(=O)NCc2ccccc2C(F)(F)F)c1C 67264053 CHYFOWZMAFHQNV-UHFFFAOYSA-N 392.356 3.972 0 40 GHAB CCc1ccc(-n2cc(C(=O)NCc3ccc(Br)cc3)nn2)cc1 67262101 WCPISFGCNCFXRW-UHFFFAOYSA-N 385.265 3.522 0 40 GHAB Cc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C(C)C)cc1)S(C)(=O)=O 29427232 XJEFXSACGGPKMD-QGZVFWFLSA-N 388.533 3.762 0 40 GHAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CS2 7306456 FHJYCCGYFYVRRF-RISCZKNCSA-N 378.803 3.751 0 40 GHAB C[C@@H]1CCC[C@H](N2C[C@H](C(=O)Nc3nc(-c4ccccn4)cs3)CC2=O)[C@@H]1C 7986101 RGUMMTYQNLGLIP-ADAWSYLGSA-N 398.532 3.817 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)c1C 7976423 KJYBNVCPXFWLMI-GFCCVEGCSA-N 377.824 3.890 0 40 GHAB CCCOc1c(Cl)cc(C(=O)N[C@@H](C(=O)OCC)[C@@H](C)CC)cc1OC 72303245 VDCGBPIRGJNOOM-BLLLJJGKSA-N 385.888 3.845 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1C 408601400 ASYQWINKOLAIAD-UHFFFAOYSA-N 383.267 3.517 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 9502427 SKMYMYQLOYAGFR-LLVKDONJSA-N 399.921 3.959 0 40 GHAB CCOc1ccc(C2=N/C(=C/C3=Cc4ccc(OC)cc4OC3)C(=O)O2)cc1 96939617 ZJOXEXARKBDGIU-YBFXNURJSA-N 377.396 3.757 0 40 GHAB Fc1ccc(Oc2ccnc(N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)n2)cc1 95980027 RSEDRFBSXUBKCX-CQSZACIVSA-N 380.427 3.788 0 40 GHAB Cc1ccc(-n2c(SCc3nc(C)nn3C)nc3ccccc3c2=O)c(C)c1 89616350 DMXWDARBKIIWQC-UHFFFAOYSA-N 391.500 3.732 0 40 GHAB O=C(Nc1ccc2[nH]ncc2c1)c1ccc(-n2cnc3ccccc3c2=O)cc1 89866527 WHTVOLKLBGUFRH-UHFFFAOYSA-N 381.395 3.514 0 40 GHAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1ccc(Br)cc1 27932916 IGWOGDBDZMSSLR-UHFFFAOYSA-N 390.203 3.793 0 40 GHAB CCn1cc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c(=O)c2ccccc21 22234543 UHKHZPLPNNBGBR-AWEZNQCLSA-N 380.444 3.530 0 40 GHAB COc1ccc(CN2CC[C@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)cc1 306137613 RBJPBJMLFJDUNP-QHCPKHFHSA-N 393.462 3.873 0 40 GHAB COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4cccs4)C[C@H]32)cc1 306131837 KQRFNWHLWDTITL-LEWJYISDSA-N 393.512 3.640 0 40 GHAB COC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(OC)cc3)o2)cc1 63888009 WDGHNEBYPLTBIU-UHFFFAOYSA-N 380.400 3.708 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408648171 JSDWCNWQRUCGNV-ZBFHGGJFSA-N 385.847 3.816 0 40 GHAB COc1ccc(C(=O)Nc2cccc(CN[C@@H](c3nccn3C)C3CC3)c2)cc1 512903801 HCHHFTSSRIWYAL-OAQYLSRUSA-N 390.487 3.922 0 40 GHAB CN(C(=O)CN1C(=O)COc2ccccc21)c1ccc(Oc2ccccc2)cc1 519901407 UZPIEHIRJCNCON-UHFFFAOYSA-N 388.423 3.867 0 40 GHAB Cc1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CCC(C(=O)O)CC2)n1 217361722 UPGVEEJQWMTXBR-UHFFFAOYSA-N 380.370 3.848 0 40 GHAB CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945874 TUNFACUCHUBKDA-LJQANCHMSA-N 387.499 3.834 0 40 GHAB CC[C@H]1CCCCN1CCNC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 1565690537 IERFRRAJUAIXMA-SFHVURJKSA-N 383.540 3.693 0 40 GHAB CCOC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1c(O)c2ccccc2[nH]c1=O 72325238 ABIWKHIOTVHBFV-KRWDZBQOSA-N 391.423 3.747 0 40 GHAB biogenic CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 222887745 WRTXOIKZYOUVLF-PMACEKPBSA-N 378.501 3.960 0 40 GHAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225718803 QYWVWYCWNSEFMJ-UHFFFAOYSA-N 390.530 3.855 0 40 GHAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)Nc1ccc2ccccc2c1 224305320 NWHNVYZQOLJZSL-UHFFFAOYSA-N 377.448 3.727 0 40 GHAB COc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)CC(C)(C)O2 225608610 ATTCEGBLTDCTRH-KRWDZBQOSA-N 379.453 3.723 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220557294 RXMLLNZGZDYFOH-FXAWDEMLSA-N 388.533 3.725 0 40 GHAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)ccc1C 223895485 PLSUXKXLEXBIAE-UHFFFAOYSA-N 375.490 3.558 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 222574644 QLTQUALXOPKOQN-QGZVFWFLSA-N 386.517 3.724 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)Nc1nn2c(-c3ccc(Cl)cc3)nnc2s1 41108756 ODTRPNPXYLYWIZ-NSHDSACASA-N 399.863 3.912 0 40 GHAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1 223443581 AYOGYVDIXKTWNQ-VQTJNVASSA-N 378.501 3.899 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 44904788 DTGZTIKBISVIDO-IBGZPJMESA-N 399.443 3.673 0 40 GHAB C[C@@H]1CCCCN1c1cc(N2CCCC2)nc(NC(=S)NC2CCCC2)n1 226005190 JZWINBDBHDTYBE-OAHLLOKOSA-N 388.585 3.685 0 40 GHAB O=C(CSc1ccc2nncn2n1)Nc1ccc(Oc2ccccc2)cc1 44890094 KJTQGZDTZATSNG-UHFFFAOYSA-N 377.429 3.647 0 40 GHAB O=C(Cc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 225598726 BPTVKNSVJXUFEK-UHFFFAOYSA-N 392.908 3.696 0 40 GHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1C1CC1 223216768 YXRSYWQDIPPBOI-RTWAWAEBSA-N 397.592 3.759 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c(OC)c1OC 223409514 HUQODLRIUFDAHH-HNNXBMFYSA-N 399.487 3.675 0 40 GHAB CC1=C(C(=O)N2CCCCCC2)[C@H](c2ccc(OC(C)C)cc2)NC(=S)N1 84677723 UNOBWTCCLWFLGQ-IBGZPJMESA-N 387.549 3.669 0 40 GHAB CS(=O)(=O)[C@@](Cl)(Br)C(=O)c1ccc(Cl)cc1Cl 96518169 SPXUJQUCGPAKEO-SECBINFHSA-N 380.474 3.508 0 40 GHAB Cc1ccc(CN2CC[C@]3(CC(C(=O)NC[C@@H](C)c4ccccc4)=NO3)C2)cc1 96225722 XHPZHGNKPXTLLQ-DVECYGJZSA-N 391.515 3.636 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2CN(Cc3ccccc3Cl)[C@H]2C1 96244875 BXCIPSYHFXRPMJ-LPHOPBHVSA-N 375.299 3.879 0 40 GHAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cccc(C)n3)CCO2)n1 257258822 KVRPREBOEMFDHX-FQEVSTJZSA-N 392.459 3.525 0 40 GHAB CNC(=O)c1sc2ncccc2c1C1CCN(C(=O)c2ccccc2)CC1 257322315 WFLKCYGTQKGIKR-UHFFFAOYSA-N 379.485 3.676 0 40 GHAB C[C@@]1(c2ncc(Cc3ccccc3)o2)CCCN(C(=O)c2ccc(O)nc2)C1 257239966 HRPKLDXLPAPYFH-JOCHJYFZSA-N 377.444 3.560 0 40 GHAB CC(C)N1CCC(Cc2cc(N3C(=O)OC[C@@H]3Cc3ccccc3)ncn2)CC1 257220633 DLNWJLDKYCRJQO-NRFANRHFSA-N 394.519 3.707 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@H]1c1ccc(-c2c(C)noc2C)cn1 257261553 LHUVWZAFACQZPD-SFHVURJKSA-N 378.432 3.734 0 40 GHAB CCC1(N2CCOCC2)CCN(C(=O)NCC(C)(C)C2=CCCCC2)CC1 623900859 TZLFTLHOMBPWQP-UHFFFAOYSA-N 377.573 3.799 0 40 GHAB CCCOc1ccc(O[C@H]2CCCC[C@@H]2N2C(=O)N3CC4CC3(C4)C2=O)cc1 656804716 HHCLLNISWXEPTO-ZGTUQWJLSA-N 384.476 3.592 0 40 GHAB O=C(Nc1cccc(COc2ccc(F)cc2)c1)N1CC[C@H](O)C(F)(F)C1 585101373 DFUIDHNYCGRFBR-KRWDZBQOSA-N 380.366 3.639 0 40 GHAB O=C(c1cc(Br)ccc1F)N(Cc1cccnc1)C[C@@H]1CCCO1 55799223 CTDGEIQNCLXTDY-HNNXBMFYSA-N 393.256 3.805 0 40 GHAB O=C(C1CCC1)N1CCC[C@@H](c2nc(N3CCCC3)ncc2-c2ccncc2)C1 12089348 XLDTXSHTDQKMTJ-LJQANCHMSA-N 391.519 3.645 0 40 GHAB CC(=O)c1cnc2cc(C(=O)NC3(c4ccccc4F)CCCC3)nn2c1C 12197885 CMUUYCRUCIRYJS-UHFFFAOYSA-N 380.423 3.579 0 40 GHAB CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 12925083 OTEFIAMKBCUTDR-AWEZNQCLSA-N 386.473 3.611 0 40 GHAB O=c1[nH]c2sc3c(c2c(=O)n1C1CCCCC1)CCN(Cc1ccccc1)C3 14162707 NKWISTSJLBPGIZ-UHFFFAOYSA-N 395.528 3.815 0 40 GHAB Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)on1 19121308 HFTDHSNPQIUBFA-SFHVURJKSA-N 382.439 3.819 0 40 GHAB O=C(c1ccnc(N2CCCC2)c1)N1CCC(c2noc3cc(F)ccc23)CC1 19346152 DNDXKOYITBXRRP-UHFFFAOYSA-N 394.450 3.982 0 40 GHAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1nc2ccccc2s1)c1ccc(F)cc1 19459829 ISXUCMPZCWUOIO-YVEFUNNKSA-N 385.464 3.880 0 40 GHAB Cc1cc(C)n(C[C@H](O)CN(Cc2ccco2)Cc2cn(C)c3ccccc23)n1 19573778 RHXNMXQTEQIVAK-HXUWFJFHSA-N 392.503 3.648 0 40 GHAB CCn1cnc2cc(NC(=O)c3cc(-c4ccc(OC)cc4)nn3C)ccc21 19578273 YXASQFURDBWBDU-UHFFFAOYSA-N 375.432 3.718 0 40 GHAB O=C(CN1CCC(Oc2ccccc2F)CC1)Nc1ccc2ncccc2c1 19658079 WKMXUIGMIXXIFD-UHFFFAOYSA-N 379.435 3.856 0 40 GHAB COc1cccc(-c2cc(C)nc(C3CCN(C(=O)c4cnccn4)CC3)c2)c1 19690639 OTIRHMKUUAICFT-UHFFFAOYSA-N 388.471 3.875 0 40 GHAB Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)c3scnc3C)CC2)n1 19692201 LEVUBJCCPLIROB-UHFFFAOYSA-N 393.516 3.819 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1O 6049533 ZDMQZORUEYUTAQ-MNYOOWLBSA-N 390.476 3.961 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(OC)c1 8114996 RMEIEVMLCHLILC-GIJQJNRQSA-N 380.425 3.812 0 40 GHAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccccc1Cn1ccnc1 19349802 PCWHPSLJEKZFIG-UHFFFAOYSA-N 388.515 3.847 0 40 GHAB O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc2c(c1)OCCCO2 6462669 OILLXDIGFZDUIT-UHFFFAOYSA-N 389.458 3.690 0 40 GHAB CC(C)(C)c1ccc2nnc(C3CCN(C(=O)c4ccc(F)cc4F)CC3)n2n1 1888890657 PQNBTXXMUNRKCL-UHFFFAOYSA-N 399.445 3.720 0 40 GHAB O=C(Nc1nc(CN2CCOCC2)cs1)c1ccccc1Cc1ccccc1 32978519 NBJUFYVWQVFIBC-UHFFFAOYSA-N 393.512 3.818 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1CC[C@H](Oc2ccc(Br)cn2)C1 238847802 ISVYNWUXDORWPJ-AWEZNQCLSA-N 386.249 3.619 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc3ccc(-c4ccncc4)nn23)c(C)c1 4377030 QPINAFAIFFJTSC-UHFFFAOYSA-N 390.472 3.534 0 40 GHAB CCOc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Br 6667938 KRXYNOJNDQQXFU-UHFFFAOYSA-N 396.306 3.595 0 40 GHAB CCc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)s1 23127720 KRNYKRKBCGOIRN-UHFFFAOYSA-N 384.592 3.563 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@H](c1ccsc1)n1cccn1 575613698 KFXQFYDAWTXQDO-LJQANCHMSA-N 395.463 3.504 0 40 GHAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)cc1 16610361 GLGGAZRNBVMWGA-ZDUSSCGKSA-N 386.473 3.997 0 40 GHAB O=C(c1ccccc1)C1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1 40037613 MCXFHBVVJPVDST-UHFFFAOYSA-N 387.483 3.926 0 40 GHAB O=C(Nc1nc(CN2CCOCC2)cs1)c1cc2c(s1)CCCCC2 40161784 BEZDZJQYSKGZEI-UHFFFAOYSA-N 377.535 3.558 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(Cc2cccc(Cl)c2)CC1 20100351 WRLLAJOGIGGZHT-UHFFFAOYSA-N 386.879 3.597 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CN[C@H](c1ccccc1)C(C)C)CC2 50509575 MVXPJNWEAIZOGE-QHCPKHFHSA-N 382.504 3.575 0 40 GHAB CCN(CC)[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)Cc1ccccc1 31653539 OXEXFGVBEIHREM-HNNXBMFYSA-N 392.429 3.508 0 40 GHAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc(-c3ccccc3)no2)C1=O 8428580 HNSOKFSVCIFJFC-HXUWFJFHSA-N 396.834 3.747 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc1 32744971 GNAZYZOILJLZFL-HXUWFJFHSA-N 377.481 3.811 0 40 GHAB C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccc(-c2ccccc2)cc1 32764464 IBAPMNNCBVJIKG-QGZVFWFLSA-N 383.451 3.941 0 40 GHAB Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@H]2CCCO2)c1 790289 BQEJUYARYRSTHF-OAQYLSRUSA-N 390.483 3.966 0 40 GHAB Cc1cccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 832418 HKRHDHWDLOWJIX-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB O=C1C[C@@H](C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c2ccc(F)cc2N1 32882807 YBYSZBZRBGOZOU-HXUWFJFHSA-N 396.462 3.829 0 40 GHAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NC(c1ccccc1)c1ccccc1 3326686 BKLCNEOCNDPXIQ-UHFFFAOYSA-N 386.373 3.773 0 40 GHAB aggregator Cc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1C 3569723 VGUJJUFYGISIGT-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB CC(C)[C@H](NC(=O)/C=C/c1cc(Br)ccc1F)c1nccn1C 32931732 QQPFXMSJHCAJOZ-RRGWEWPQSA-N 380.261 3.848 0 40 GHAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c(C)c1 4307734 NJLIQEABKFHANM-OAQYLSRUSA-N 399.878 3.671 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1N1CCc2sccc2C1 32916049 CMWJSXJYKWGXOL-UHFFFAOYSA-N 380.517 3.842 0 40 GHAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7394647 MWTSTBOUXKDSIU-QHCPKHFHSA-N 387.439 3.798 0 40 GHAB Cc1cc(C)cc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccccc2)c1 8335594 PWZKRCWMAFQTEN-UHFFFAOYSA-N 388.533 3.661 0 40 GHAB Cc1cc(Br)cc(C)c1NC(=O)COC(=O)c1ccc(C=O)cc1 8336018 LVZZJWZNRIBAOJ-UHFFFAOYSA-N 390.233 3.674 0 40 GHAB Cc1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102085374 WMWUOHCUGAOQAH-SOJYOXCPSA-N 399.446 3.772 0 40 GHAB CCOc1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccccn2)cc1OC 100148842 JZYNCVGSJGEKOE-RTBURBONSA-N 382.504 3.609 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)CSCCOc2ccc(Cl)cc2)cc1 24066287 YTUBBQMOJSVBDS-UHFFFAOYSA-N 392.908 3.793 0 40 GHAB COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1cccc(C)c1C 1251366 UQBMXICKJKXPOQ-IBGZPJMESA-N 381.501 3.744 0 40 GHAB O=C(COc1ccccc1Cl)Nc1cccc(-c2nn3cnnc3s2)c1 20528970 BIXSTBSYMADGIP-UHFFFAOYSA-N 385.836 3.524 0 40 GHAB CCc1ccc(-c2noc(CCC(=O)NCCCN(C)c3ccccc3)n2)cc1 24987229 OQLCEQYCUGNBTI-UHFFFAOYSA-N 392.503 3.874 0 40 GHAB COc1ccc(Br)c(C(=O)OCC(=O)c2ccc3c(c2)CCC3)c1 25045817 LGNPPXLHTYWYCL-UHFFFAOYSA-N 389.245 3.986 0 40 GHAB CCOc1ccc(CCNC(=O)c2cncn2-c2ccccc2)cc1OCC 12556780 GENAYAVZDPBUEY-UHFFFAOYSA-N 379.460 3.642 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCc3ccccc32)ccc1Cl 3212925 ZVDXWADOQALJEH-UHFFFAOYSA-N 392.908 3.573 0 40 GHAB O=C(Nc1ccccc1O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 28238198 NAUOYLBTPQSWGG-UHFFFAOYSA-N 377.322 3.896 0 40 GHAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nn(C)c4ncccc43)CC2)cc1 100216408 DCUNWWOISUBASL-HDICACEKSA-N 392.503 3.610 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 12634752 UWSDTXGNCXMXHT-QGZVFWFLSA-N 399.922 3.672 0 40 GHAB Cc1ccc(C)c(Nc2nnc(SCc3ccccc3Cl)n(N)c2=O)c1 28535640 CRIMVZZZGZKUID-UHFFFAOYSA-N 387.896 3.658 0 40 GHAB O=C(O)c1ccc2c(c1)CCCN2S(=O)(=O)c1cc(Cl)sc1Cl 58308504 PFXRLKSETQXOJE-UHFFFAOYSA-N 392.285 3.895 0 40 GHAB COc1ccc2c(c1)OCC([C@H]1Nc3ccccc3C(=O)N1CC(F)(F)F)=C2 11036286 QLYUIUVVKPPNGS-SFHVURJKSA-N 390.361 3.927 0 40 GHAB CCOc1ccc(CN(C)Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 48368563 FWUVURNHBPNKJV-UHFFFAOYSA-N 391.397 3.712 0 40 GHAB COc1ccc(C(=O)CSc2nnc(C)n2-c2ccccc2C)c(OC)c1 3424601 NBPMRPKTXXGXSK-UHFFFAOYSA-N 383.473 3.876 0 40 GHAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(C(C)C)cc1 3497028 VWAHJUUDQQLYAQ-UHFFFAOYSA-N 397.504 3.915 0 40 GHAB CC[C@]1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccccc3)c(=O)c21 3646586 XDIJFTWBSBJILS-HSZRJFAPSA-N 375.472 3.528 0 40 GHAB CC(C)[C@H](NC(=O)Nc1ccc2c(c1)COC2)c1nc(-c2cccnc2)no1 92186101 LZNDCRXGSGGEAM-KRWDZBQOSA-N 379.420 3.681 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CC1(C(=O)O)CCCC1 13466485 JDPLZCQKDUOOCO-UHFFFAOYSA-N 389.370 3.704 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc(O)cc2O)c(C)n1Cc1ccc(F)cc1 6080848 JOETUXGCXZFRAO-UHFFFAOYSA-N 397.402 3.743 0 40 GHAB C[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 4263135 BQIAHDPSLBYMNS-VIFPVBQESA-N 397.132 3.632 0 40 GHAB Brc1cccc(-c2nnc(Cc3nc(-c4ccncc4)no3)o2)c1 65185548 JOQDHVYAZKTEAJ-UHFFFAOYSA-N 384.193 3.535 0 40 GHAB Cc1cc(C)c2c3ccccc3n(CCNC(=S)NC(=O)c3ccco3)c2n1 5274237 ASZTWCGMSCFITD-UHFFFAOYSA-N 392.484 3.704 0 40 GHAB Cc1c(C(=O)NCC(=O)Nc2ccccc2Br)oc2ccccc12 6330332 SPGGEFHREHXGBG-UHFFFAOYSA-N 387.233 3.872 0 40 GHAB O=C(COC(=O)c1cccc(Br)c1)NC12CC3CC(CC(C3)C1)C2 6383697 USIYUZSVNAINSH-UHFFFAOYSA-N 392.293 3.691 0 40 GHAB Cc1ccccc1NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 5397989 KOLWWHGFXRHAPB-UHFFFAOYSA-N 398.260 3.620 0 40 GHAB C[C@@H]1CCCC[C@]12NC(=O)N(CN(Cc1ccccc1)CC(F)(F)F)C2=O 14200332 BQXTXJKWSBFFLV-KDOFPFPSSA-N 383.414 3.509 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 4682297 QPYWKWULKUSYAZ-NSHDSACASA-N 387.288 3.607 0 40 GHAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2F)N3)C1 6732638 FGYPRASCGCFVSV-HNNXBMFYSA-N 375.425 3.831 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1cc(C)ccc1C)S2 6811813 WJRYYLHDJNRAKA-RBUKOAKNSA-N 393.516 3.855 0 40 GHAB CC(C)C[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 9156718 FADLDOABXSMNSC-SFHVURJKSA-N 398.894 3.850 0 40 GHAB Cc1c(Cl)cccc1NC1=NN=C(c2ccc3c(c2)NC(=O)CO3)CS1 15404344 ORYCYYSHBPOUQR-UHFFFAOYSA-N 386.864 3.898 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(N2CCCC2=O)c1 7491958 SSVKSOXYHCEUFH-NRFANRHFSA-N 389.455 3.716 0 40 GHAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NCc1nnc2ccccn12 7898770 XRBJOMUUVZYAEQ-FNORWQNLSA-N 380.757 3.731 0 40 GHAB Cc1cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c(C)n1CC(F)(F)F 16406355 NXEYCHBVYCJTCN-KRWDZBQOSA-N 394.393 3.844 0 40 GHAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-n2cccn2)cc1 8329160 SVICCNVZZVHJTK-UHFFFAOYSA-N 384.439 3.736 0 40 GHAB O=c1c([C@@H]2NCCc3c2[nH]c2ccccc32)c(O)[nH]c(=S)n1C1CCCCC1 17180926 UOFAJPGULOPCKI-SFHVURJKSA-N 396.516 3.833 0 40 GHAB biogenic COc1ccc(CNc2nc(-c3cccs3)nn2C(=O)c2ccco2)cc1 9667647 CPDYJEDOEAPMIF-UHFFFAOYSA-N 380.429 3.909 0 40 GHAB COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 72312866 ATOGDVXCPRHDMP-DHZHZOJOSA-N 385.363 3.692 0 40 GHAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCC1(CCO)CCCC1 89821267 DEDAFCMXHBVBMO-UHFFFAOYSA-N 376.884 3.987 0 40 GHAB CC(C)Cc1n[nH]c(-c2nn3c(C4CCC4)nnc3s2)c1Br 72405261 FFTWTKJTHSCBOC-UHFFFAOYSA-N 381.303 3.804 0 40 GHAB CCc1cc(C(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)on1 72362960 UEVXOMXELDIVTE-UHFFFAOYSA-N 378.432 3.839 0 40 GHAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N=c1cc(C)n([C@@H](C)C3CC3)[nH]1)C2 558497297 VOZVPRQOKNKKTG-HNNXBMFYSA-N 380.492 3.672 0 40 GHAB COCCC(=O)N1CCCC[C@H]1c1nc(C)cc(Nc2nc(C)c(C)s2)n1 72383924 GXNXYZRJEBQUAS-HNNXBMFYSA-N 389.525 3.692 0 40 GHAB C[C@H]1C[C@H](NC(=O)Nc2ncc(C(C)(C)C)s2)c2ccsc2S1(=O)=O 565923538 RLYSUHAMQPHRIS-ONGXEEELSA-N 399.563 3.931 0 40 GHAB CCCCc1ccc(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cc1 48366268 MBCQERYYCIXTII-UHFFFAOYSA-N 381.519 3.580 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 225383811 OQJVZXOEUKNQOL-QFIPXVFZSA-N 396.531 3.880 0 40 GHAB O=S(=O)(Cc1ccc(Br)cc1)NCCc1ccc(Cl)cc1 224184598 BRVGNPAHBYZIRC-UHFFFAOYSA-N 388.714 3.765 0 40 GHAB O=C(CN1CCSC1=O)Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1 40156232 XIZXFAFVWYIOPZ-UHFFFAOYSA-N 386.864 3.991 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 222992760 UTUJXDQHEVFMGA-QGZVFWFLSA-N 386.467 3.538 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 225245038 GLEVMXPZGSUDLD-HZPDHXFCSA-N 388.458 3.839 0 40 GHAB O=C(N[C@H](c1cccnc1)C1CCOCC1)c1ccccc1Br 225621260 RHIUQLQODNRJPD-KRWDZBQOSA-N 375.266 3.742 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 225301676 PFJYRFPIGPHIPO-OAHLLOKOSA-N 379.460 3.748 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1)c1ccccc1 224283514 JCUMYHFJQYKAQC-INIZCTEOSA-N 378.519 3.797 0 40 GHAB COc1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 134212583 FAAATWACLMJAGM-UHFFFAOYSA-N 376.261 3.836 0 40 GHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 223999223 YWWPQFFURAIBRS-RTBURBONSA-N 379.441 3.889 0 40 GHAB C[C@H](NC(=O)N1CCC2(CC1)CCS(=O)(=O)CC2)c1ccc(C2CC2)cc1 579811577 MXPMMMCUNGZQEK-INIZCTEOSA-N 390.549 3.625 0 40 GHAB Clc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4cccnc4)no3)c2CO1 97086837 PDBJPSZLQFPDML-INIZCTEOSA-N 379.807 3.920 0 40 GHAB CC1(C)[C@H](NC(=O)c2cnccn2)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257234088 GSAHBCFWIBJPMC-ZIVVNCDHSA-N 377.488 3.789 0 40 GHAB CC(C)C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccncc2)CC1 257314709 UYDNEFKBGXJYSR-SAABIXHNSA-N 381.524 3.651 0 40 GHAB O=S(=O)(c1c(F)cccc1F)N1CCC(CSCc2ccco2)CC1 90608432 BQZJKVNJPGOUJB-UHFFFAOYSA-N 387.473 3.892 0 40 GHAB O=C(NC[C@@H](CO)c1ccc(Cl)cc1)c1ccc(OCc2cccnc2)cc1 673376453 IUCSBFOTHNJFSZ-IBGZPJMESA-N 396.874 3.820 0 40 GHAB O=S(=O)(Nc1ccc(Cn2ccnc2)cc1)c1cccc(C(F)(F)F)c1 1254283958 NNGCIAVTMGUXDS-UHFFFAOYSA-N 381.379 3.751 0 40 GHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 96366743 MALABKQYMSNOAU-MRXNPFEDSA-N 397.418 3.784 0 40 GHAB CN(CC(=O)O)[C@H]1CCCN(C(=O)Nc2ccc3oc4ccccc4c3c2)CC1 561187915 KKLSKFSRBZRSPI-INIZCTEOSA-N 395.459 3.989 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390831566 SNYIKZDDLWCNEX-OZSKJFCKSA-N 395.933 3.803 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@H](C)C2)C3)cc1F 585104552 QDFVENMSQUKVPV-PXNSSMCTSA-N 388.527 3.877 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)nn2-c2ccccc2)cc1 46882967 PUEVGOGSLZWLAH-UHFFFAOYSA-N 391.456 3.960 0 40 GHAB C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCC(=O)N1CCCCC1 54031142 SJEHTDRAYKHILI-LBPRGKRZSA-N 389.348 3.993 0 40 GHAB COc1ccc(Cl)c2sc(N3CCN(C(=O)c4cccs4)CC3)nc12 5256748 BREUMWNAJHLJTI-UHFFFAOYSA-N 393.921 3.982 0 40 GHAB Cc1cc(-c2snnc2C2CCN(C(=O)c3cc(C(C)C)no3)CC2)on1 12224160 YHAMHYMMXXZYLI-UHFFFAOYSA-N 387.465 3.633 0 40 GHAB Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)cc3)CC1)O2 12293747 OKEGUWIUESQILP-LEWJYISDSA-N 385.479 3.827 0 40 GHAB CCC[C@@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 13583331 KSRVJVUHRIGQEH-MRXNPFEDSA-N 386.517 3.665 0 40 GHAB CCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCN(c2ccccc2)CC1 15785808 FURHIMSNCGYCLS-UHFFFAOYSA-N 398.514 3.989 0 40 GHAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CCNC(=O)c1cccs1 19219986 AQIAPGFXCHGLQA-UHFFFAOYSA-N 380.391 3.820 0 40 GHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)CC(C)C)C1 19446361 DMABLDDUOLZMSU-DEOSSOPVSA-N 393.531 3.692 0 40 GHAB Cc1nccn1CCC1CCN(C(=O)CCc2cn(C)c3ccccc23)CC1 19657523 QAJIEGCQVLZXKM-UHFFFAOYSA-N 378.520 3.945 0 40 GHAB Cc1nc([C@@H]2CCCCN2C(C)C)nc2c1CCC(=O)N2Cc1ccccn1 19695829 UQRXRRQHXFLENV-IBGZPJMESA-N 379.508 3.595 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)C2CCC2)s1 35311585 SSDBZPOUMLTOBN-UHFFFAOYSA-N 376.507 3.624 0 40 GHAB CCOc1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2)C(=O)O)cc1OCC 5072437 WDKIIIGXBOOQCB-LFIBNONCSA-N 389.835 3.993 0 40 GHAB CCN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 6593941 UWGPWSJAPBSACW-UHFFFAOYSA-N 387.288 3.643 0 40 GHAB O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1cn([C@@H]2CCCNC2)nn1 574269194 RFDXUHBYGZWTIY-MRXNPFEDSA-N 399.857 3.914 0 40 GHAB COc1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1Br 32869272 CKMWKKLJBOSNBR-UHFFFAOYSA-N 389.249 3.602 0 40 GHAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 1775995304 MXJQZOPDKYZXMS-UHFFFAOYSA-N 387.911 3.600 0 40 GHAB Cc1nc(C(=O)N2CCC3(CC[C@H]3NC(=O)CCc3ccccc3)CC2)cs1 1614940182 GTLYPFWJGLWGAR-LJQANCHMSA-N 397.544 3.585 0 40 GHAB Cc1ccccc1CSC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1 2711505 AVRRICLCZZDLGB-UHFFFAOYSA-N 380.922 3.942 0 40 GHAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(F)cc3)co2)n1 4377244 NUOAFRXWNDGDLK-UHFFFAOYSA-N 386.404 3.697 0 40 GHAB COc1ccc(CC(=O)NCCSc2ncc(-c3ccc(C)cc3)[nH]2)cc1 4315456 KCKLZZSUYJHQIA-UHFFFAOYSA-N 381.501 3.845 0 40 GHAB COc1ccc(N2C[C@H](NC(=O)Nc3cccc4ccccc34)CC2=O)cc1 5191271 GWRIKFROVLKPJP-MRXNPFEDSA-N 375.428 3.775 0 40 GHAB COc1cccc(C(=O)N(CCN(C)C)c2nc3c(F)cc(F)cc3s2)c1 5121736 ACEWQDGAEGIGJO-UHFFFAOYSA-N 391.443 3.792 0 40 GHAB Cc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3C)c2=O)cc1C 7615791 HIQVZSWNFSEREK-UHFFFAOYSA-N 379.485 3.889 0 40 GHAB O=C(CSc1nccn(-c2ccc(Cl)cc2)c1=O)Nc1ccccc1F 7615782 VLUPXHZDWTYFKX-UHFFFAOYSA-N 389.839 3.756 0 40 GHAB O=C(COc1ccc2c(c1)OCO2)Nc1ccccc1-c1cn2ccccc2n1 206897548 XCOQTYCIRUAVAN-UHFFFAOYSA-N 387.395 3.748 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)c1ccc2c(=O)n3c(nc2c1)SCCC3 49403738 KXOAXGNIFOCWOZ-UHFFFAOYSA-N 399.903 3.518 0 40 GHAB CCCCCOc1ccccc1/C=c1\sc2nc(-c3ccccc3)nn2c1=O 2378245 NKSSGVPGYLADCB-CYVLTUHYSA-N 391.496 3.935 0 40 GHAB CC(C)(C)c1cn2nc(NCc3ccccc3CN3CCOCC3)sc2n1 40039770 UDYGEDIPSGNLQZ-UHFFFAOYSA-N 385.537 3.533 0 40 GHAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1cc(Cl)ccc1N1CCOCC1 40129262 HDNPWLYWFLTKCP-UHFFFAOYSA-N 396.878 3.544 0 40 GHAB CCOC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 40103235 VINYOVRPVYWPRN-UHFFFAOYSA-N 391.802 3.684 0 40 GHAB CCOc1c(Cl)cc(C(=O)Nc2cccc(N3CCNC3=O)c2)cc1OC 40108535 KTJGRMCHVNXBIO-UHFFFAOYSA-N 389.839 3.529 0 40 GHAB Cc1ccccc1CNC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955202 UEVUDCRJXINXNR-UHFFFAOYSA-N 390.487 3.573 0 40 GHAB COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccccc2OC)CC(O)=N3)cc1 20716191 UTPZATPIURUQKN-KRWDZBQOSA-N 392.415 3.739 0 40 GHAB CC(=O)Nc1ccc(C(=O)COC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 51796193 ZKIGIUVRDBOOBG-GXTWGEPZSA-N 389.345 3.879 0 40 GHAB COc1ccc(NC(=O)CS[C@H]2CCc3ccccc3N=C2O)cc1OC 11865827 BSPGTVTZRRVBGZ-SFHVURJKSA-N 386.473 3.979 0 40 GHAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 32736356 ZUWTWACGBJPZAR-UHFFFAOYSA-N 385.489 3.841 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)o2)cc1 2644709 VDPRTYIFZOLFFB-UHFFFAOYSA-N 385.445 3.868 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)Nc3cc(C(C)(C)C)no3)c(C)c2c1 32739528 IUZIIYPIGZZJAM-UHFFFAOYSA-N 386.404 3.831 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccncc2)c(C)c1 1328553 CMHWVPVRXHWTTR-UHFFFAOYSA-N 395.532 3.953 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C 21453246 KJOHSEZUARUWRS-BJZITVGISA-N 383.492 3.729 0 40 GHAB COc1c2c(cc3c1OCO3)CCN(C)C(c1cc(=O)oc3ccc(C)cc13)=C2 79190663 BOCNPOGDOJENEI-UHFFFAOYSA-N 391.423 3.825 0 40 GHAB biogenic COc1ccc(C(=O)Nc2cc3nsnc3cc2Br)cc1OC 3027579 UCVQIUWQSVKQQC-UHFFFAOYSA-N 394.250 3.723 0 40 GHAB O=C(CSc1nc2ccccc2s1)Nc1ccc(N2CCOCC2)cc1 3234709 BXMGDXSYVJUZRH-UHFFFAOYSA-N 385.514 3.864 0 40 GHAB CSc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 6327887 WXBZIMBOPSDLES-UHFFFAOYSA-N 392.546 3.667 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)N1c2ccccc2OC[C@H]1c1ccccc1 6882009 DNTZKXWAEFNOBO-NRFANRHFSA-N 397.434 3.563 0 40 GHAB CCOC(=O)c1cccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)c1 32900900 JNFKLXDJUCSAMU-TZIWHRDSSA-N 387.451 3.579 0 40 GHAB Cc1nnc(NC(=O)c2cc(Br)ccc2Br)s1 682937 BLTQFQHRPWHCQY-UHFFFAOYSA-N 377.061 3.624 0 40 GHAB CC(=O)N[C@H](C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F)C1CCCC1 53464868 DDIONAHTKFCANU-ZBEGNZNMSA-N 379.407 3.731 0 40 GHAB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1c3ccc(C)cc3C=C[C@H]21 9423800 QXDMQYKEMQIMIQ-WTGUMLROSA-N 394.515 3.596 0 40 GHAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 800460 FPDTUXPPINHPCB-LLVKDONJSA-N 379.243 3.994 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc1 54270151 ZLPHTGWICKQYJL-UHFFFAOYSA-N 379.416 3.815 0 40 GHAB Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 990577 LQMWZNZZBBUKDU-UHFFFAOYSA-N 399.402 3.835 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1nc2ccccc2[nH]1 12507135 OZFDRCUUCYAXFC-UHFFFAOYSA-N 387.487 3.674 0 40 GHAB Cc1nc2ccc(NC(=O)C34C[C@@H]5C[C@@H](C3)CC(n3ncnn3)(C5)C4)cc2s1 100770331 XOJBRZXHXVVPRR-NILVNCKXSA-N 394.504 3.525 0 40 GHAB Nc1nc(N2CCCCC2)nc2nc3c(c([C@H]4CC=CCC4)c12)C(=O)CCC3 20673593 XDXGOOGLUXXECP-AWEZNQCLSA-N 377.492 3.940 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N1CCCCCC1 3292884 ZHDXXQOZSXMPNU-UHFFFAOYSA-N 393.516 3.824 0 40 GHAB O=C(Nc1ccc(N2CCCC2)nc1)c1cccc(I)c1 24972042 MPVHTRNFNXZVPL-UHFFFAOYSA-N 393.228 3.539 0 40 GHAB Cc1ccc2nc(COc3cccc(C(=O)N(C)C[C@H]4CCCOC4)c3)cn2c1 107649351 LNZRHEWSJKFXRJ-GOSISDBHSA-N 393.487 3.720 0 40 GHAB CCOc1ccc(N2CC3=C(C2=O)[C@H](c2ccc(Cl)cc2)NC(=O)N3C)cc1 35326715 GRZHKUNHISDGRI-IBGZPJMESA-N 397.862 3.736 0 40 GHAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 9355922 HXMSXKJJCAUOBJ-MRXNPFEDSA-N 380.469 3.978 0 40 GHAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)N2CCc3ccccc32)c(=O)c1C 57528235 BOFYLNLMDXCQCF-UHFFFAOYSA-N 393.874 3.770 0 40 GHAB COc1c2c(cc3c1[C@@H](C[C@H](OC(C)=O)c1ccccc1)N(C)CC3)OCO2 2087396 HOJWQTIDNXZUOL-MSOLQXFVSA-N 383.444 3.647 0 40 GHAB biogenic O=C(Nc1ccncc1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 23143229 NUMRLMMLIZDNAN-UHFFFAOYSA-N 377.423 3.533 0 40 GHAB Cc1ccc(SCC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1 10028136 DVJOIZYADQFESM-UHFFFAOYSA-N 383.517 3.900 0 40 GHAB CCc1ccc(OCC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)cc1 27662345 YSLHZEOVOXSRNX-UHFFFAOYSA-N 399.472 3.802 0 40 GHAB O=C(Nc1ccn(CCc2ccncc2)n1)c1cc(Cl)cc2cccnc12 58208993 FHFIAIXTNKQWFG-UHFFFAOYSA-N 377.835 3.975 0 40 GHAB Cc1nc(C)c(-c2nnc(S[C@@H](C)C(=O)NCc3cccs3)o2)s1 12740757 KNYAHIKZLHGIJB-VIFPVBQESA-N 380.520 3.668 0 40 GHAB O=C(Nc1nc(CC(=O)N2CC=C(c3ccccc3)CC2)cs1)c1ccco1 12732380 BDUPNAMNXSETAR-UHFFFAOYSA-N 393.468 3.847 0 40 GHAB O=C(CNc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12767917 OGFBWBNRAGDJQN-UHFFFAOYSA-N 395.772 3.990 0 40 GHAB CC(=O)NCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1 36390524 YTYXSKPSFFAAFW-UHFFFAOYSA-N 377.444 3.573 0 40 GHAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccc(N)cc2)c2ccccc21 2309643 VXDWRAGYKFOSQV-DEOSSOPVSA-N 386.451 3.585 0 40 GHAB O=C(NCc1ccnc(-n2ccnc2)c1)C1c2ccccc2Oc2ccccc21 48375061 XJAKNRYRVQEIKG-UHFFFAOYSA-N 382.423 3.821 0 40 GHAB COc1ccc(-c2cnn3c(N)c(-c4ccccc4OC)cnc23)cc1OC 408599364 GQNXEIBRRCZOFM-UHFFFAOYSA-N 376.416 3.671 0 40 GHAB CCN(CC)[C@H](CNC(=O)NCCc1cccs1)c1cccc(OC)c1 29324564 VLRFWESCYKDDBT-LJQANCHMSA-N 375.538 3.682 0 40 GHAB C[C@H](c1ccccc1)N(C)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 12942122 AVDBFKUWVJOZGM-CYBMUJFWSA-N 381.501 3.626 0 40 GHAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 21915642 DRWLSTLZWJLTLD-UHFFFAOYSA-N 391.471 3.581 0 40 GHAB COc1ccc(/C=C/C(=O)NCCc2c[nH]c(-c3ccc(C)cc3)n2)cc1OC 13608440 WOFOWUQPIWUYRB-YRNVUSSQSA-N 391.471 3.774 0 40 GHAB COc1cc(-c2nc(C)c(C(=O)Nc3nccs3)s2)cc(OC)c1OC 13685065 IXJSDNICBZRZHE-UHFFFAOYSA-N 391.474 3.853 0 40 GHAB CC(=O)Nc1ccc(CC(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1 17940974 BHOOLEGZPQZOPD-UHFFFAOYSA-N 389.835 3.746 0 40 GHAB CC(C)CN1CCC(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 65474293 PCTFHXLFNKVAPA-QGZVFWFLSA-N 395.341 3.757 0 40 GHAB Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)n1 408617675 BCVVTQYETYMHRS-UHFFFAOYSA-N 392.484 3.799 0 40 GHAB CCCOC(=O)c1cc2cc(Br)cc(Br)c2oc1=O 4537094 CTZRDFNGROMMDO-UHFFFAOYSA-N 390.027 3.885 0 40 GHAB Cn1c(-c2ccccc2)c(C(=O)CSc2nc(N)cc(N)n2)c2ccccc21 6533206 YSOJNSSJMWXNEM-UHFFFAOYSA-N 389.484 3.775 0 40 GHAB CN(Cc1cccs1)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 6549923 DDTZNFCHSGFLSH-UHFFFAOYSA-N 384.530 3.957 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3cc(Cl)ccc3OC(=O)c3ccco3)C(=O)[C@@H]2C1 18241083 POIOLTMDFWDGNY-ZIAGYGMSSA-N 385.803 3.998 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 4699996 JCSJTFKNEVARQT-MRXNPFEDSA-N 393.512 3.879 0 40 GHAB COc1ccc(NC(=S)NC(=O)c2cccs2)cc1-c1ccc(CO)o1 20152363 ZNWPPALMUAUHAX-UHFFFAOYSA-N 388.470 3.636 0 40 GHAB O=C(c1ccco1)N1Cc2ccccc2[C@@H](c2nccn2Cc2cccnc2)C1 306143163 XUWQMULAGAHTJF-FQEVSTJZSA-N 384.439 3.707 0 40 GHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(C)c3)C2=O)cc1 4723957 ATSOIFUSRKMXTI-GZTJUZNOSA-N 382.441 3.679 0 40 GHAB COC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925330 YEISYZOGDOAVPC-SIKLISJLSA-N 392.536 3.865 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 5924585 NWPPAPKIDLLTSI-UHFFFAOYSA-N 395.893 3.592 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N2CCCC[C@H]2C)n1 5998171 NVLMLQRLWTUTEW-LLVKDONJSA-N 380.901 3.627 0 40 GHAB COc1cc(CN(C)S(=O)(=O)c2cc(C)ccc2C)ccc1OC(F)F 7218766 NTCKROSOYVUQPI-UHFFFAOYSA-N 385.432 3.734 0 40 GHAB COCCNCc1cnc(C)c2oc(-c3cc(=O)oc4cc(C)ccc34)cc12 96113883 BIJNBQVSRIHIFJ-UHFFFAOYSA-N 378.428 3.954 0 40 GHAB biogenic Cc1nnc([C@@H](C)OC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)o1 67740772 FOFLZEJWUCFIFH-CYBMUJFWSA-N 399.472 3.861 0 40 GHAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 7726611 MGGICBXUDFAJPE-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB C[C@H]1Oc2ccc(-c3csc(NC(=O)c4ccc(F)cc4)n3)cc2N(C)C1=O 19796682 ISGCVKLFIUXHCF-LLVKDONJSA-N 397.431 3.945 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 61341704 LAJFJPIKSJCWMA-UHFFFAOYSA-N 389.260 3.626 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1 7918001 MUFAMUXOGVQUJP-IAGOWNOFSA-N 385.533 3.645 0 40 GHAB CCCN1C(SCC(=O)c2ccc(F)cc2)=NS(=O)(=O)c2ccccc21 71328570 AFTHHFZNCUCVNJ-UHFFFAOYSA-N 392.477 3.717 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccnc(C)n1)CC2 69488356 FJHMUDYVJSVLKY-FQEVSTJZSA-N 395.484 3.652 0 40 GHAB O=C(COc1ccc2ccccc2c1)N1CCN(Cc2ccccc2F)CC1 19868044 JTHWPFADCFBOEC-UHFFFAOYSA-N 378.447 3.702 0 40 GHAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O 9548449 NBCKMTSNJBEHPE-NRFANRHFSA-N 393.468 3.859 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 71817212 UEUGAPJVFUTZAY-INIZCTEOSA-N 379.199 3.854 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(C(C)(C)C)c2C)C1=O 409017110 FAJPXSNBIVZXJO-LERPTODRSA-N 378.494 3.848 0 40 GHAB Cc1cc(NC(=O)c2cccn2Cc2ccccc2)ccc1N1C(=O)CCC1=O 95958873 VYAPMZFHLLAHPE-UHFFFAOYSA-N 387.439 3.751 0 40 GHAB CC(C)(C)NC(=O)CNC(=O)c1oc2ccccc2c1COc1ccccc1 9917634 JPTNKLIZLKCWJW-UHFFFAOYSA-N 380.444 3.656 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)C1 75105082 DNANQYCHXXZIAH-FQEVSTJZSA-N 376.453 3.780 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1cccc(C)c1 20634781 OFCWNDNTXNWZQF-LJQANCHMSA-N 392.455 3.824 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 22514402 NQZUYJXNYCSQRI-CQSZACIVSA-N 399.443 3.789 0 40 GHAB COc1ccc(-c2csc(NC(=S)NC(=O)C(C)(C)C)n2)cc1OC 408627995 PETNRPJVYHTNBC-UHFFFAOYSA-N 379.507 3.686 0 40 GHAB O=C1CCCCN1c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1 38698753 VEKWKUVUJVAGCS-UHFFFAOYSA-N 381.457 3.553 0 40 GHAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1nc(-n3cccc3)sc1C)CC2 524734418 CSFDJLGRKMSVGG-HNNXBMFYSA-N 383.473 3.677 0 40 GHAB COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)Cc2csc(C)n2)c1 72380374 QBLGWFHJZXCITG-SFHVURJKSA-N 382.489 3.756 0 40 GHAB COc1ccc([C@H]2SCC(O)=Nc3c2c(C)nn3-c2ccccn2)cc1O 79477297 GZENRKVZFRXSCY-GOSISDBHSA-N 382.445 3.714 0 40 GHAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCN(C/C=C/c2ccccc2)CC1 32093333 RACJIPAZVMKCNC-SNXGKTBFSA-N 393.462 3.764 0 40 GHAB Cc1cnc(C(=O)N2CCC(c3ccc(Nc4cccc(C)n4)cn3)CC2)cn1 72374226 ITJXNMLRNGSMJY-UHFFFAOYSA-N 388.475 3.647 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(N2CCCC2=O)cc1 219204940 PBQSISWZGKTKGJ-LJQANCHMSA-N 394.471 3.854 0 40 GHAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 219052070 WDHYNHYSMVLFDP-SFHVURJKSA-N 389.499 3.998 0 40 GHAB Cc1cc(=NC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)[nH]n1CC(F)(F)F 557147313 PALMXIFKPBWWNT-UKRRQHHQSA-N 384.377 3.773 0 40 GHAB COc1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 33155038 JKXOPJSXJUHBBB-MOSHPQCFSA-N 391.402 3.718 0 40 GHAB Cc1cc(C(=O)NCC(=O)NCCC(c2ccccc2)c2ccccc2)c(C)o1 48365452 XEQNBYXELBKSIZ-UHFFFAOYSA-N 390.483 3.965 0 40 GHAB COCc1cccc(NC(=O)CS(=O)(=O)Cc2cccc3ccccc23)c1 224953091 RVYMZNNOZGBCMS-UHFFFAOYSA-N 383.469 3.540 0 40 GHAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4cc(-c5cccc(F)c5)[nH]n4)cn1c23 223098230 UJYMNEPRWYCTQE-LBPRGKRZSA-N 388.402 3.900 0 40 GHAB Cc1cccnc1NC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1 49551890 KDDQTFYWYQMQLA-UHFFFAOYSA-N 379.370 3.897 0 40 GHAB CCc1ccc(O[C@H](CC)C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224751721 IIZQRMSSQVHUJD-HSZRJFAPSA-N 396.531 3.555 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(N2CCCC[C@@H]2C)n1 225888821 OLTUBNXODLFZQE-CVEARBPZSA-N 390.601 3.787 0 40 GHAB CCCC[C@H](CC)CNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 223680828 NEUHEKRXCVEFGZ-HNNXBMFYSA-N 388.961 3.747 0 40 GHAB CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CC 223340866 HOLPSBNRHLZBMZ-QFIPXVFZSA-N 382.504 3.709 0 40 GHAB O=C(NCCCOC1CCCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 224779194 MTJQDSXYDOIDJW-FXBPSFAMSA-N 396.487 3.906 0 40 GHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(N4CCOCC4)cc3)s2)cc1 225029386 XZFMALJBPZGUDQ-UHFFFAOYSA-N 380.473 3.602 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 224873892 CLUPNDUJWDQTIQ-GOSISDBHSA-N 384.495 3.929 0 40 GHAB Cc1n[nH]c(-c2ccc(F)cc2)c1CC(=O)N1CCO[C@H](c2ccccc2)C1 95474597 CNWKKCNWXKYSLY-FQEVSTJZSA-N 379.435 3.667 0 40 GHAB COc1cc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(C)C)ccc1OC(C)C 95473076 MIGBLYYEESSBMA-QGZVFWFLSA-N 391.493 3.977 0 40 GHAB CCc1cccc(NC(=O)N2CC[C@]3(C[C@H]3C(=O)NCc3cccs3)C2)c1 96227696 HYSWCVSBPHBIJR-RXVVDRJESA-N 383.517 3.871 0 40 GHAB CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 257301827 SACMWWAHJFCBGD-GOSISDBHSA-N 396.535 3.813 0 40 GHAB CN(Cc1ccc(OCc2ccccn2)cc1)C[C@H](O)COc1ccccc1 257321466 WBUQLRQZRBLCBL-NRFANRHFSA-N 378.472 3.532 0 40 GHAB Cc1cc(N2CCO[C@H](c3ccc(Nc4ncccc4C)cn3)C2)nc(C)n1 257299685 RRBRIGLGSWQNNT-IBGZPJMESA-N 376.464 3.513 0 40 GHAB C[C@@H]1CC(CNC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)C[C@@H](C)C1 1230794019 UTBLVUIKULPCQK-IRXDYDNUSA-N 392.588 3.865 0 40 GHAB CCc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 642604564 MPYZCCIWGTUERR-OAQYLSRUSA-N 394.496 3.907 0 40 GHAB CC[C@H](CNC(=O)N1CCC12CCOCC2)Oc1ccccc1C(F)(F)F 683419369 MJYRHYOZMXBZHX-CQSZACIVSA-N 386.414 3.827 0 40 GHAB CO[C@@H]1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 96122371 FACSUWJXVCUUJF-CQSZACIVSA-N 384.860 3.505 0 40 GHAB CCCc1nnsc1C(=O)NCC1(Sc2ccccc2)CCOCC1 96119002 YGANAZVGGUVSEX-UHFFFAOYSA-N 377.535 3.562 0 40 GHAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H](Cc3ncccn3)C2)o1 585177732 CCVKHRDWGNOIAW-INIZCTEOSA-N 377.444 3.890 0 40 GHAB CCO[C@@H](C)c1nc(C)c(C(=O)NCc2ccc(-c3ccnn3C)cc2)s1 685939834 ZUFIZZOFQCCJPD-AWEZNQCLSA-N 384.505 3.880 0 40 GHAB O=C(Nc1ccccc1CN1CCC(O)CC1)[C@H]1C[C@H]1c1cc(F)ccc1F 89813924 LSLLJFFVIYZHEJ-HKUYNNGSSA-N 386.442 3.664 0 40 GHAB CCOC(=O)c1csc(N2CCN([C@@H]3CCc4c(Cl)cccc43)CC2)n1 1648638980 YGXBZGXWJYROCX-QGZVFWFLSA-N 391.924 3.783 0 40 GHAB O=C(NCCCCOc1ccccc1)c1ccc(I)cc1 11079312 YTEXLWWORJEPAV-UHFFFAOYSA-N 395.240 3.880 0 40 GHAB Cc1ccc(-c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)c(C)c1 11695306 GQQNMTSPDNBQJH-UHFFFAOYSA-N 378.501 3.784 0 40 GHAB COc1cc(C)c(CNC(=O)C[C@H]2C(=O)N(C)c3ccccc32)cc1C(C)C 12193848 VCVCHVVTRFAZFE-LJQANCHMSA-N 380.488 3.894 0 40 GHAB COc1ccc(Br)c(C(=O)NCc2ccccc2OC(F)F)c1 12825009 VXJOAGUKWKHMDV-UHFFFAOYSA-N 386.192 3.989 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c(C)c1 12929256 SYXYHVQVTIYJKQ-FQEVSTJZSA-N 396.487 3.538 0 40 GHAB Cc1ccc(C2(CN3CCC(NC(=O)c4cc[nH]n4)CC3)CCCCC2)cc1 19208547 DKVQESQSJIBMAU-UHFFFAOYSA-N 380.536 3.814 0 40 GHAB Cc1c(C(=O)N2CCc3nc([C@@H]4CCCN4C)ncc3C2)oc2c(C)cccc12 19236744 KUQQLRWNRYJDBW-IBGZPJMESA-N 390.487 3.805 0 40 GHAB Cc1nn(C[C@@H](C)C(=O)NCc2c(C)nn(-c3ccc(F)cc3)c2C)c(C)c1C 19556929 IWXWEEIDRRMSQK-CYBMUJFWSA-N 397.498 3.703 0 40 GHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)C2CC2)C1 19591000 YNGNKSZWNBKHRU-XMMPIXPASA-N 376.500 3.661 0 40 GHAB Cc1ccc(-c2c[nH]/c(=N\C(=O)CC[C@@H]3C(=O)Nc4ccccc43)n2C)cc1C 19664882 ODVYEWCMBLCKSK-SFHVURJKSA-N 388.471 3.580 0 40 GHAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(CC(C)C)CC2)cc1 19758642 UADGCMSZKPUKRS-UHFFFAOYSA-N 384.524 3.592 0 40 GHAB Cn1c2ccc(F)cc2c2nnc(SCC(=O)NC3CCCCCC3)nc21 35313347 DLXWDYSUVLVKCR-UHFFFAOYSA-N 387.484 3.587 0 40 GHAB O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)Nc2ccnc(Cl)c2)CC1 102674288 VYNHKQOICVRFCR-GASCZTMLSA-N 396.878 3.890 0 40 GHAB O=C(c1cnn2ccccc12)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 679176836 JSKRLXWVPJFMNR-INIZCTEOSA-N 378.480 3.520 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC1CCN(Cc2cc(F)cc(F)c2)CC1 1888930674 RNSGKVBWXHHMAB-UHFFFAOYSA-N 383.442 3.895 0 40 GHAB Cc1sc2ncn(CCC(=O)N[C@@H]3CCSc4ccccc43)c(=O)c2c1C 14857358 MIYONPHUHALGCK-OAHLLOKOSA-N 399.541 3.818 0 40 GHAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCOCC3)n2)cc1 4329683 QMIVTXIGNXTZSR-UHFFFAOYSA-N 376.464 3.812 0 40 GHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)c1 5241443 IKAASBQDGZXFEQ-UHFFFAOYSA-N 382.413 3.620 0 40 GHAB O=C(CCc1csc(NC(=O)c2ccccc2)n1)NCCc1ccc(F)cc1 11835040 NKCOQMJXVNHTHV-UHFFFAOYSA-N 397.475 3.826 0 40 GHAB O=C(Cc1ccc(NC(=O)COc2ccccc2)cc1)NCc1cccs1 13716550 YPDKSICWEBRUQV-UHFFFAOYSA-N 380.469 3.625 0 40 GHAB Cc1ccc(CN2C(=O)NC3(CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 16847615 OIPSCMXZNZZWHW-UHFFFAOYSA-N 397.906 3.735 0 40 GHAB O=C(c1cnc(Cl)cc1Cl)N1CCC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 2055835028 RJVUKOZVSMQVEL-FZKQIMNGSA-N 385.291 3.579 0 40 GHAB COc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22906966 MDWRNAVDXLIHAI-FQEVSTJZSA-N 376.456 3.818 0 40 GHAB Cc1noc(C)c1C(=O)N1CCC(COc2cc(-c3ccccc3)ncn2)CC1 1775971356 NDVKORAQBOXPJM-UHFFFAOYSA-N 392.459 3.680 0 40 GHAB Cc1ccc(-n2nc3c4cc(C(=O)NC5CCCC5)ccc4[nH]cc-3c2=O)cc1 101281990 PRLIAIRVCJERLT-UHFFFAOYSA-N 386.455 3.799 0 40 GHAB O=C(NCCc1ccc(-c2ccsc2)s1)C(=O)NCc1cccs1 575414033 KTTKJHRANHIEES-UHFFFAOYSA-N 376.528 3.513 0 40 GHAB O=S(=O)(NCC[C@@H](CCO)c1ccsc1)c1cccc2ccccc12 575608846 ZURSCUYZZFPXPK-HNNXBMFYSA-N 375.515 3.736 0 40 GHAB Cc1nn(C)c2ncc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc12 40040230 MXLJQAZJSOMEHM-INIZCTEOSA-N 377.473 3.864 0 40 GHAB O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@H](c2nnc3ccccn23)C1 40001107 BDSQLXQIHQVXMR-NSHDSACASA-N 376.794 3.681 0 40 GHAB CN(c1ccccc1)c1ccccc1NC(=O)Cn1c(=O)cnc2ccccc21 40114512 LATVAGJLUMYWES-UHFFFAOYSA-N 384.439 3.803 0 40 GHAB CCN(CC)C(=O)[C@]12C(=O)Oc3ccccc3[C@@H]1[C@@]2(C)C(=O)c1ccc(F)cc1 100174802 YBDFCCFZATYMIZ-LEOXJPRUSA-N 395.430 3.586 0 40 GHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCO[C@H](c4ccccc4)C3)c12 30768265 CMUHGMXKRJQTAD-IBGZPJMESA-N 378.476 3.614 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)cc1OC 20728143 IELYYEHOWZNACH-INIZCTEOSA-N 392.415 3.739 0 40 GHAB Cc1nc(-c2cccs2)c(CC(=O)N2CCN(c3nccs3)CC2)s1 32754653 GJQRCQAOTAEUSI-UHFFFAOYSA-N 390.559 3.528 0 40 GHAB Cc1ccccc1-n1ncc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1C(F)(F)F 60374021 MNUGYABXSQRGOM-OAHLLOKOSA-N 392.425 3.510 0 40 GHAB O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(F)(F)F)c1 2646460 YFQAKEJZJFOMGC-ZDUSSCGKSA-N 385.411 3.518 0 40 GHAB COc1ccccc1OCCN(C)CC(=O)N[C@H](C)c1ccccc1Cl 52451543 SJOKQYKDKRTFLN-OAHLLOKOSA-N 376.884 3.537 0 40 GHAB CCCN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(OC)cc1OC)C2 1369892 IHAGMJHQNZUZHY-HOTGVXAUSA-N 377.554 3.786 0 40 GHAB CSc1ccc(NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1F 79058786 SRMOPUOCHOXUAB-DZGCQCFKSA-N 396.509 3.966 0 40 GHAB COCCn1ccc2c(C(=O)NCCCc3nc4ccccc4[nH]3)cccc21 79492287 YKHLIVJONARMKZ-UHFFFAOYSA-N 376.460 3.527 0 40 GHAB CC(C)NC(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]1[C@@H]2C 3839958 PDMPMSSARBOJDD-XVFCTPOOSA-N 391.537 3.927 0 40 GHAB biogenic,in-vitro C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 7505017 UTNUBNXAZFKGIR-AWEZNQCLSA-N 396.384 3.961 0 40 GHAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(OC(F)F)cc1)C(C)C 7807937 IOEOMGUEGWIGTF-KRWDZBQOSA-N 376.403 3.990 0 40 GHAB COc1cc(N)c(Cl)cc1C(=O)OCc1csc(-c2ccccn2)n1 12262917 GUKFMOZDOCHPAZ-UHFFFAOYSA-N 375.837 3.806 0 40 GHAB O=C1/C(=C\c2ccc(COc3ccccc3)o2)N=C(S)N1C[C@@H]1CCCO1 2803902 KSFBEAZNACIEFL-GYKGCMEESA-N 384.457 3.507 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10336447 LMZBCPLUWLBUGI-CQSZACIVSA-N 380.897 3.750 0 40 GHAB CCC(=O)Nc1nc2ccc(NC(=O)c3ccc4nsnc4c3)cc2s1 8072117 PJIIEYZACVQTJT-UHFFFAOYSA-N 383.458 3.902 0 40 GHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccc(F)cc3)cc21 8959517 JZQINWYDYOGLHE-UHFFFAOYSA-N 386.423 3.615 0 40 GHAB CCc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 22398040 KQLWLEIBBLIVBL-UHFFFAOYSA-N 383.370 3.653 0 40 GHAB CCCc1nnc(NC(=O)/C=C/c2ccc(OC)c(Br)c2)s1 27563327 QHJZUHJHQSKIRF-SOFGYWHQSA-N 382.283 3.914 0 40 GHAB CN(Cc1ccc(F)cc1F)c1cnn(Cc2ccccc2)c(=O)c1Cl 24207444 NGSCOMVQVMBOFA-UHFFFAOYSA-N 375.806 3.860 0 40 GHAB CC(=O)N(c1ccc(C)cc1)c1nc(CSc2nnc(N)s2)cs1 54912567 UGXHTAYVBBQCNZ-UHFFFAOYSA-N 377.520 3.862 0 40 GHAB C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccccc1N1CCc2ccccc2C1 25800801 KXXISYCKUMALHP-MRXNPFEDSA-N 379.504 3.739 0 40 GHAB CN(Cc1nc(-c2cccc(Cl)c2)no1)S(=O)(=O)c1ccc(Cl)cc1 67768498 MKJQCQWWLMOPGV-UHFFFAOYSA-N 398.271 3.864 0 40 GHAB Cc1ccc(CNC(=O)COC(=O)/C=C/c2cccc(Br)c2)cc1 3292056 HTDQTSIOSCKKJT-MDZDMXLPSA-N 388.261 3.630 0 40 GHAB C[C@@H](NC(=O)CSc1ccc(F)cc1)c1nc(-c2ccc(F)cc2)no1 58166383 FUBJPPDIOZTSKI-LLVKDONJSA-N 375.400 3.984 0 40 GHAB O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1 57679773 FRSBTWHRLNRZFK-UHFFFAOYSA-N 394.906 3.731 0 40 GHAB Cc1cccc(OCc2nnc(SCCCn3c(=O)[nH]c4ccccc43)o2)c1 12674427 KVZWHQBNLVJAKU-UHFFFAOYSA-N 396.472 3.782 0 40 GHAB CCOc1ccccc1N1CCN(CC(=O)Nc2ccccc2SC)CC1 58158777 ZDWJVRLDPUPRDL-UHFFFAOYSA-N 385.533 3.568 0 40 GHAB CS(=O)(=O)CCOc1cccc(NC(=O)c2cc3ccccc3s2)c1 58193642 AFCCLYACQOLEMU-UHFFFAOYSA-N 375.471 3.577 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc(C)n2C)c2ccccc2)c1 3386713 PENPXMKLKIZFHM-SFHVURJKSA-N 380.473 3.798 0 40 GHAB Cc1cc2nc3s/c(=C\c4cccn4-c4ccc(O)cc4)c(=O)n3c2cc1C 409389272 ARPHZVOBHXPODP-NDENLUEZSA-N 387.464 3.570 0 40 GHAB Cc1ccc(CNC(=O)COC(=O)CCCc2nc3ccccc3s2)cc1 3317966 BGOSLTPTNMEDHP-UHFFFAOYSA-N 382.485 3.787 0 40 GHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NCCc1ccccc1 12748893 RKOSYXBDESXSBS-UHFFFAOYSA-N 395.509 3.545 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)N2C(=O)[C@H](C)SC2=N1 2463242 BVYVNTRHSOZEMA-NHYWBVRUSA-N 378.881 3.940 0 40 GHAB Cc1nc2cc(NC(=O)c3ccccc3I)ccc2o1 12740850 FADUAUIBVPIQTH-UHFFFAOYSA-N 378.169 3.993 0 40 GHAB CCCCCOc1ccc(C(=O)CCC(=O)O[C@@H](C(N)=O)c2ccccc2)cc1 11478316 OMNVLPVAPPOTTE-JOCHJYFZSA-N 397.471 3.988 0 40 GHAB Cc1sc(NC(=O)CCNC(=O)C(C)(C)C)nc1-c1ccc(F)c(F)c1 12814364 VOISLWWVORQUPW-UHFFFAOYSA-N 381.448 3.888 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O 3429511 RZHYXWTYUPXJGZ-GOSISDBHSA-N 394.452 3.705 0 40 GHAB CCOc1ccc(C(=O)N[C@H](C(=O)NCc2ccc(Cl)cc2)C(C)C)cc1 3517742 KNXQYCFMDMOCMH-IBGZPJMESA-N 388.895 3.810 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 12928629 PFYGWDGBWRDSAW-HZPDHXFCSA-N 375.472 3.812 0 40 GHAB COc1cccc(NC(=O)COc2cccc(-c3nnc4n3CCCCC4)c2)c1 12987730 OLQINIVLAOJEBE-UHFFFAOYSA-N 392.459 3.698 0 40 GHAB C[C@@H](C(=O)Nc1ncc(Cl)cc1Cl)n1nnc(-c2cccc(Cl)c2)n1 12982076 PPDURCUVYLGBSC-QMMMGPOBSA-N 397.653 3.895 0 40 GHAB O=C(CN1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cc(Cl)ccc1F 12913866 OOIABWTYYLXMCQ-AWEZNQCLSA-N 389.858 3.768 0 40 GHAB COc1ccc(C(=O)COC(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)[C@H]3CC[C@@H]2C3)cc1 4179270 LAMSTBQZIAOBPC-UDKICSLYSA-N 392.451 3.966 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1nc(C)n(-c3ccc(F)cc3)n1)O[C@H](C)C2 18238633 FDRHFJKTVSTWIG-GFCCVEGCSA-N 396.422 3.689 0 40 GHAB CC(=O)c1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)cc1 4705538 JNCMPANSBZZIQO-NDENLUEZSA-N 386.432 3.920 0 40 GHAB CCCCNc1nnc(SCCCc2nc(-c3ccncc3)no2)s1 14729322 RZKSYNWUEHJUQM-UHFFFAOYSA-N 376.511 3.920 0 40 GHAB Cn1c(CCN2CCCC2=O)nc2cc(NC(=O)c3ccccc3Cl)ccc21 9060269 YKNPAQGHDZUZFP-UHFFFAOYSA-N 396.878 3.644 0 40 GHAB Cc1c(NC(=O)CCCSc2ccccc2)c(=O)n(-c2ccccc2)n1C 7007773 SXPYKYUZIYFGHY-UHFFFAOYSA-N 381.501 3.995 0 40 GHAB C[C@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)Nc1ccccc1 7233161 KKXQSBNESWCAEE-HNNXBMFYSA-N 375.428 3.934 0 40 GHAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cc(=O)c2c1 15859931 FQFQWSZAZVBBEF-KRWDZBQOSA-N 380.444 3.515 0 40 GHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1c(C)cc(Cl)cc1C 7810862 WIDLBAPIOQGKEP-UHFFFAOYSA-N 399.878 3.621 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 7807891 ASUJHQACHFQOMH-SFHVURJKSA-N 392.908 3.749 0 40 GHAB CCOC(=O)c1oc2ccccc2c1CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 16623647 ZHNAAWSIENEFSW-QFIPXVFZSA-N 392.411 3.577 0 40 GHAB Cc1c(-c2ccccc2)sc2ncnc(NCC(=O)NCc3ccco3)c12 8155989 AKDNSEKTPKREID-UHFFFAOYSA-N 378.457 3.988 0 40 GHAB Cc1nc2cc(C(=O)OCC(=O)N[C@@H](C)C(C)C)ccc2n1-c1ccccc1 8310583 ZTNNFWYALCMNJH-HNNXBMFYSA-N 379.460 3.651 0 40 GHAB COc1ccc(OC)c(CC(=O)N[C@H](C)c2cccc(Br)c2)c1 20029777 ROLQVTHUQWDPBT-GFCCVEGCSA-N 378.266 3.886 0 40 GHAB Cc1ccc(C(=O)[C@H](OC(=O)c2ccn(C)c(=O)c2)c2ccc(C)cc2)cc1 84148632 PEODERBURINQOL-JOCHJYFZSA-N 375.424 3.783 0 40 GHAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 408999198 PUSQTHWXLWRILQ-MOPGFXCFSA-N 382.460 3.662 0 40 GHAB COc1ccc(C2(CNC(=O)c3c(NC(C)=O)c[nH]c3C)CCCCC2)cc1 95451458 KXOGIEDHUWHSJX-UHFFFAOYSA-N 383.492 3.922 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)c1 33047755 COIQDRXUYRRYJM-UHFFFAOYSA-N 393.486 3.749 0 40 GHAB CC(C)COC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 408996737 AJBOIKCLBCUKJR-PMACEKPBSA-N 382.460 3.520 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 22328651 WFTJNLUXIJRRFX-GOSISDBHSA-N 388.533 3.564 0 40 GHAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1sc(C(C)C)cc1C(N)=O 28227592 LYZOWESPMGNARD-SECBINFHSA-N 388.415 3.694 0 40 GHAB COc1cc(C)c(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 408549812 ZMSIVHOAKGNCDF-SXGWCWSVSA-N 386.835 3.759 0 40 GHAB Cc1nc(C(=O)N2CC[C@]3(Cc4ncc(-c5ccc(F)cc5)n4C3)C2)cs1 306139650 TWPKEOKAWXMKHN-FQEVSTJZSA-N 382.464 3.543 0 40 GHAB COc1cccc(Cn2nc(C)c(NC(=O)c3cc(OC)cc(OC)c3)c2C)c1 32647603 IDUUGDLCINEZSB-UHFFFAOYSA-N 395.459 3.826 0 40 GHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1(c2cccs2)CCCC1 38643458 ZELRNBLRLULUJI-INIZCTEOSA-N 390.574 3.811 0 40 GHAB Cn1cc(C(=O)N2CCC(c3cncc(-c4cccc(Cl)c4)n3)CC2)cn1 72359773 ZHTJAEIXHKUYPW-UHFFFAOYSA-N 381.867 3.550 0 40 GHAB NC(=O)[C@H](c1ccc(Br)cc1)N1CCc2c(Cl)cccc2C1 519852301 UELWAPLTERLNPJ-INIZCTEOSA-N 379.685 3.687 0 40 GHAB Cn1nc(C(C)(C)C)cc1NC(=O)COc1ccc(Oc2ccccn2)cc1 32765732 UFBUROUBIOZNFL-UHFFFAOYSA-N 380.448 3.922 0 40 GHAB CCOC(=O)c1sc(NC(=O)N(C)[C@@H](C)C2CC2)c(C(=O)OCC)c1C 31087803 DALDRXMEXBZWOX-NSHDSACASA-N 382.482 3.672 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 30869470 PIVKZQKMESQDJH-GFCCVEGCSA-N 396.896 3.601 0 40 GHAB O=C(Nc1sc2c(c1C(=O)Nc1cccnc1)CCCC2)c1cccnc1 72037206 VJDMCOSWCOZNHA-UHFFFAOYSA-N 378.457 3.922 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1cccc(OCc2cccnc2)c1 71282770 GNEPDRIILBHQNV-KRWDZBQOSA-N 378.432 3.855 0 40 GHAB CC(C)CN1CCC(NC(=O)N[C@@H](C)c2ccccc2Br)CC1 49788393 AOJGFAMKSDVZFY-AWEZNQCLSA-N 382.346 3.930 0 40 GHAB COC(=O)CSc1nnc(NC(=O)CCc2cccc3ccccc23)s1 225302140 DRFDXBSFUVVXKL-UHFFFAOYSA-N 387.486 3.528 0 40 GHAB C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cc2ccccc2o1 43193277 NKNJMZMEYRBETF-ZDUSSCGKSA-N 387.461 3.566 0 40 GHAB COC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223412170 XKPQKCDTAPRDAL-UHFFFAOYSA-N 388.489 3.573 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)Nc1nc2ccccc2[nH]1 44168578 NEZVYUKOESSSLC-SJKOYZFVSA-N 384.867 4.000 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 222997172 DYKXDOGSZFUHJU-NRFANRHFSA-N 382.504 3.707 0 40 GHAB CCc1cccc(CC)c1NC(=O)CSc1nc2nc(C)c(C)c(C)n2n1 40119225 BPIAPCCUKIXEIR-UHFFFAOYSA-N 383.521 3.905 0 40 GHAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 223590597 UCFWZLDUJKAOAT-MOPGFXCFSA-N 397.525 3.791 0 40 GHAB COc1ccc(OCCCC(=O)NCc2cccc(CN3CCCC3)c2)cc1 46374724 WZNPKQKYFQIXLR-UHFFFAOYSA-N 382.504 3.766 0 40 GHAB Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(I)cc1 222570730 SAVVXSCODCJMJV-UHFFFAOYSA-N 381.217 3.765 0 40 GHAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 223598880 KRTDPXBGPNUCAR-JOCHJYFZSA-N 396.531 3.961 0 40 GHAB Cc1ccccc1CN(c1ccc(C(=O)N[C@@H](C)C(C)C)cc1)S(C)(=O)=O 225197186 HFRBXNFBKYQFOH-KRWDZBQOSA-N 388.533 3.736 0 40 GHAB O=C(O)c1cccc(C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 582904974 VVOQDDVYYCPEEP-GOSISDBHSA-N 398.846 3.626 0 40 GHAB CC[C@@](Br)([C@@H](O)c1ccc(Cl)cc1Cl)S(=O)(=O)CC 96521711 LDDAAYKPPKKIGU-RYUDHWBXSA-N 390.126 3.963 0 40 GHAB CCc1nccn1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257219189 DFXQBLGXTZFFFK-LJQANCHMSA-N 378.476 3.778 0 40 GHAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1 253592706 XQQAUFJSHYMKFJ-SRDOKRBCSA-N 394.490 3.785 0 40 GHAB COC1([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CCC1 521396608 RVWCVNQNJUZGPJ-LJQANCHMSA-N 381.428 3.547 0 40 GHAB C[C@H]1CN(C(=O)NCc2cccc(COC[C@@H]3CCCO3)c2)C[C@@H](C)C1(F)F 624394268 ZLXVQCBLBDQLKH-FCEWJHQRSA-N 396.478 3.815 0 40 GHAB COc1ccccc1[C@H]1CCCCN1C(=O)c1cncc(N2CCCC2=O)c1 625321119 SMNZCMLBRTXVRK-LJQANCHMSA-N 379.460 3.584 0 40 GHAB CN(Cc1cccc(NC(=O)c2cc3c(s2)CCNC3)c1)Cc1cscn1 662455171 JOHISUUHJFFHQX-UHFFFAOYSA-N 398.557 3.735 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)c(Cl)c1 1212462271 DEFBGBDDASRAKK-SFHVURJKSA-N 375.877 3.814 0 40 GHAB Cc1ccc(C(=O)N2CC[C@@]3(C2)c2cccn2-c2ncccc2N3CC(C)C)o1 585107013 OBSAOACDFYGLSL-HSZRJFAPSA-N 390.487 3.991 0 40 GHAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@@H]3c3ccccc3Cl)ccc2N1 56123931 ZWQHCVUCQJGIMC-GOSISDBHSA-N 390.892 3.751 0 40 GHAB COc1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccco3)C2)c1 89469773 YMBHOKBNTJGXFY-IBGZPJMESA-N 382.441 3.828 0 40 GHAB COc1ccc(CCN[C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1OC 95996201 DSPCLZPFGAYNKN-DOTOQJQBSA-N 378.513 3.624 0 40 GHAB Cc1ccc(OCc2nnc3sc(-c4ccc5c(c4)OCCCO5)nn23)cc1 11689740 XLSGLBDEJYHRBT-UHFFFAOYSA-N 394.456 3.902 0 40 GHAB Cc1cc2nc([C@H]3CCCN(C(=O)c4ccco4)C3)cc(C(F)(F)F)n2n1 12186747 FHGSPNHFMBXTFF-LBPRGKRZSA-N 378.354 3.669 0 40 GHAB O=C(COc1cc(Cl)ccc1C(=O)O)Nc1ccc(Br)cc1 13085140 GHZXBQKVHDJNEQ-UHFFFAOYSA-N 384.613 3.818 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CCc2ccccc21 13669056 SMMFLOOOSAQISK-UHFFFAOYSA-N 398.528 3.619 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 14833525 KEVXVUAHEJXNMG-XLNAKTSKSA-N 384.863 3.901 0 40 GHAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)c3cccc(Cl)c3)CC2)on1 19121229 IVQYYMKDQRUFGB-UHFFFAOYSA-N 398.850 3.819 0 40 GHAB O[C@H](c1ccccn1)c1ccccc1N1CCN(Cc2ccc(F)c(F)c2)CC1 19347807 MDFCRTXESKNMCB-QHCPKHFHSA-N 395.453 3.764 0 40 GHAB Cc1cc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c2c(C)noc2n1 19715849 LPAJZUMAMDFVPV-UHFFFAOYSA-N 378.432 3.636 0 40 GHAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1cc(C)nc3onc(C)c13)cn2C 19715857 AFAVJVMTXWBRQB-GFCCVEGCSA-N 392.459 3.701 0 40 GHAB Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c1 165724684 YWTJKKQEZHNOIA-USNOLKROSA-N 386.451 3.867 0 40 GHAB CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2OC)cc1 35289560 MCMSTPUXEJOTGK-SFHVURJKSA-N 383.448 3.729 0 40 GHAB O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2F)CC1 102674432 QVFGYRYZQUUYIN-OKILXGFUSA-N 398.413 3.515 0 40 GHAB COc1cc(C(=O)N2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc(OC)c1OC 19549511 YATYXWJGDQSRGK-OAHLLOKOSA-N 395.459 3.609 0 40 GHAB COc1ccc(-c2n[nH]c(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)n2)cc1 5903275 KMWUPTSTJBHCSI-LLVKDONJSA-N 379.445 3.570 0 40 GHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2c(C)[nH]c3ccccc23)C1=O 5956514 VYZZOTXRKHBDMH-HSZRJFAPSA-N 389.455 3.906 0 40 GHAB COc1cccc(C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)s2)c1OC 1888970056 VZAYUNKCCKXBHI-CQSZACIVSA-N 389.498 3.957 0 40 GHAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)NC1CCC(C(F)(F)F)CC1 25057547 QNMOWTQFYWFMKO-UHFFFAOYSA-N 396.453 3.819 0 40 GHAB C[C@@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)c1cccc(Cl)c1 32666623 XGBXSWNFRMRXQE-CYBMUJFWSA-N 384.819 3.637 0 40 GHAB O=C1CC2(CCN(Cc3ccnc4ccccc34)CC2)Nc2ccccc2CN1 2037978389 UHGCXKYNKJVQSR-UHFFFAOYSA-N 386.499 3.701 0 40 GHAB CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(F)cc3)CC2)cc1 4331328 FULJNKZAYXMMKZ-UHFFFAOYSA-N 387.549 3.561 0 40 GHAB COCCNC(=O)CSc1[nH]c(-c2ccccc2)nc1-c1ccc(C)cc1 4927766 VDGBFOKJLHIERB-UHFFFAOYSA-N 381.501 3.907 0 40 GHAB O=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccccc1 5144751 ZWXXACSZIOLYNO-UHFFFAOYSA-N 394.500 3.935 0 40 GHAB COc1ccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)c(OC)c1 5270066 UTHKZXVAHQJKRC-UHFFFAOYSA-N 392.455 3.783 0 40 GHAB COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)c1 8843865 DAEUMLIOCUROIU-IBGZPJMESA-N 381.501 3.744 0 40 GHAB O=C(NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1c(F)cccc1F 9040256 HATKLHIDOWCSJC-LLVKDONJSA-N 379.794 3.793 0 40 GHAB Cc1ccccc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 10812197 DHTNPNPPGHFWDX-AWEZNQCLSA-N 398.937 3.892 0 40 GHAB Cc1ccccc1COc1cn(CC(=O)Nc2ccc(F)cc2F)c(C)cc1=O 12230716 IIDUIJFMIPABRR-UHFFFAOYSA-N 398.409 3.961 0 40 GHAB Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCOCC3)c(O)n2n1 22626664 RLGKCLRDVLGPDZ-ZDUSSCGKSA-N 399.303 3.533 0 40 GHAB COc1cccc([C@@H](CNC(=O)Nc2cccc(Cl)c2)N2CCOCC2)c1 23105970 SVOUXLBNTIYZEG-LJQANCHMSA-N 389.883 3.544 0 40 GHAB COCCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc(F)ccc21 100872664 YPDDKGCYLJLYGZ-UZYVYHOESA-N 387.461 3.839 0 40 GHAB COCCn1/c(=N/C(=O)Cc2cc(C)ccc2C)sc2cc(F)cc(F)c21 100987546 VECMWKHJEIZAFS-ATJXCDBQSA-N 390.455 3.914 0 40 GHAB Fc1ccc(-c2ccc3nnc(SCc4cn5ccccc5n4)n3n2)cc1 38780539 SEZMSBYLWIUJJC-UHFFFAOYSA-N 376.420 3.870 0 40 GHAB O=C(c1ccc(F)c(Cl)c1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575617410 PHIRHNYSNGBLJA-CQSZACIVSA-N 385.826 3.666 0 40 GHAB CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCC[C@H](C)C3)c(O)n2n1 36104754 MTCLGGPTVZHYHO-SUMWQHHRSA-N 386.521 3.889 0 40 GHAB C[C@H](NC(=O)c1cccs1)C(=O)NCc1cccnc1Oc1cccc(F)c1 40094320 WHIAJBGJSRTVNK-ZDUSSCGKSA-N 399.447 3.509 0 40 GHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1CCC[C@H]1c1ccncc1 40050720 ITEYLKABXLBVMV-IBGZPJMESA-N 377.492 3.585 0 40 GHAB COc1ccccc1N1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 51085809 PMYNCGGRSGABDF-GOSISDBHSA-N 380.410 3.570 0 40 GHAB COC(=O)c1cnc(NC(=O)COC(c2ccccc2)c2ccccc2)s1 32494435 HXRDXDNDIHGOAJ-UHFFFAOYSA-N 382.441 3.674 0 40 GHAB Brc1cc2c(cc1CN1CCC(N3CCCCC3)CC1)OCCO2 52002818 XCQRZFMXFZBFNN-UHFFFAOYSA-N 395.341 3.671 0 40 GHAB Cc1sc2ncnc(N3CCC(C(=O)NCc4ccccc4)CC3)c2c1C 8133844 AQWHOUDUJKITJY-UHFFFAOYSA-N 380.517 3.841 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C)n2Cc2ccccc2)c1C 2627587 RNIVMQHTCGPUSE-UHFFFAOYSA-N 382.489 3.757 0 40 GHAB COc1ccc(-c2csc(NC(=O)COC(=O)c3cc(C)oc3C)n2)cc1 2622503 OAUHHSKGFOTIOV-UHFFFAOYSA-N 386.429 3.824 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3C)C2)cc1 791892 RYGHYSRWKNGUIK-SFHVURJKSA-N 386.517 3.651 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 1336326 QPRQIXPUEOPUJG-UHFFFAOYSA-N 385.847 3.846 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)N4CCC(C)CC4)ncnc32)cc1C 1346408 HECORMLDUYYJSR-UHFFFAOYSA-N 395.532 3.783 0 40 GHAB CC[C@@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1cc(C)on1 2759075 CVWUWQOWATVAHW-CQSZACIVSA-N 396.476 3.805 0 40 GHAB C[C@@H](CCc1ccco1)NC(=O)c1nnn(-c2ccccc2)c1-c1ccccn1 77199874 CWRNKQCSLGWBIM-INIZCTEOSA-N 387.443 3.673 0 40 GHAB COC(=O)c1ccoc1COC(=O)c1ccccc1NC(=O)c1ccsc1 32899109 QQUGNYQUJAIVLH-UHFFFAOYSA-N 385.397 3.737 0 40 GHAB CN(Cc1c(F)cccc1Cl)[C@H](C(=O)N1CCOCC1)c1ccccc1 21698135 UWHMDCNFGXATQZ-IBGZPJMESA-N 376.859 3.511 0 40 GHAB CC(C)c1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c2ccccc2n1 21708225 INIMSUXXSCWVOC-UHFFFAOYSA-N 387.483 3.956 0 40 GHAB CCOc1ccccc1C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 32915595 VVVXRQXMRHKIBP-UHFFFAOYSA-N 376.338 3.937 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)NC[C@@H](C)c3ccccc3)c(C)c2c1 4319097 SLDWIPPAEIUFSJ-CQSZACIVSA-N 381.428 3.827 0 40 GHAB COc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)CCc2ccccc2)cc1 4725831 KSDWOUPLHDAELJ-LJQANCHMSA-N 392.377 3.624 0 40 GHAB O=C(Nc1ccccc1Cl)NC1(C(=O)NCc2cccnc2)CCCCC1 4927455 HXAREXXWDIDEPQ-UHFFFAOYSA-N 386.883 3.876 0 40 GHAB COCc1cccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 8030572 BSFQHABJUTVQLY-UHFFFAOYSA-N 381.259 3.851 0 40 GHAB O=C(O)CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 97000226 WUONOGGZLQOHJO-UHFFFAOYSA-N 399.818 3.624 0 40 GHAB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1ccc2c(c1)OCO2)N1CCCCC1 103702615 PUJSOUOYRDPRTO-YADHBBJMSA-N 391.471 3.981 0 40 GHAB CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccn(C)n2)CC1 101373105 CQJURWINJLNHEU-HSALFYBXSA-N 396.535 3.549 0 40 GHAB CC(C)c1ccc(-n2nnnc2S[C@@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 103443022 QGICGSFHFRAYTP-OAGGEKHMSA-N 387.553 3.771 0 40 GHAB O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cn2cccnc2n1 61599482 MCZRDROHVIVFJC-GOSISDBHSA-N 378.382 3.721 0 40 GHAB Cc1ccc(-c2nnn(Cc3nc(N)c4c5c(sc4n3)CCCCC5)n2)cc1 23104609 CSKCCCLSFONNTN-UHFFFAOYSA-N 391.504 3.553 0 40 GHAB CCSc1nnc(NC(=O)c2ccc(I)cc2)s1 10021903 IXLYKYCUNNLNQJ-UHFFFAOYSA-N 391.259 3.507 0 40 GHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 105724184 LRUVOCDKTKKQFV-UKRRQHHQSA-N 389.521 3.752 0 40 GHAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2)c1C 24575551 VSEYFYCPJBMRLK-UHFFFAOYSA-N 399.476 3.585 0 40 GHAB O=C(Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)c1cccs1 102089067 XOKDEVYCBJLIER-AUTURXRWSA-N 391.448 3.525 0 40 GHAB CCOC(=O)CSc1ncc(OC)c(Oc2cccc(C(F)(F)F)c2)n1 1388531 FVAHVTWXDQCSQI-UHFFFAOYSA-N 388.367 3.952 0 40 GHAB COc1cccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@@H]3C2(C)C)c1 100265406 CFGOTXDVLACKMZ-XOBRGWDASA-N 384.505 3.786 0 40 GHAB O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1c(F)cccc1Cl 57476983 FXKOJKFMPIXAHP-UHFFFAOYSA-N 376.727 3.615 0 40 GHAB O=C(NCCNc1ncccn1)Nc1ccc(OCc2ccccc2Cl)cc1 58172634 KUHRLVWVUSWJDV-UHFFFAOYSA-N 397.866 3.943 0 40 GHAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc(Br)s1 23732670 MDELVVFZYMQYEZ-SNVBAGLBSA-N 378.295 3.940 0 40 GHAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)/C=C/c1ccccc1 10119926 FLJNNYVKCABHGI-JXMROGBWSA-N 377.429 3.513 0 40 GHAB CCOc1ccc(-c2noc(-c3nnn(-c4ccc(CC)cc4)c3N)n2)cc1 10273116 UHMLQWIPSYONBY-UHFFFAOYSA-N 376.420 3.528 0 40 GHAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(Br)o1 58223566 IWOBSECYUSYPTK-SNVBAGLBSA-N 378.144 3.524 0 40 GHAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 3351058 YHMWGXYETFTREW-ZDUSSCGKSA-N 396.818 3.533 0 40 GHAB C[C@@H]1S[C@]2(C(=O)Nc3ccccc32)N(c2cccc(C(F)(F)F)c2)C1=O 2297481 LSOOPFQAHVSZKC-DYZYQPBXSA-N 378.375 3.979 0 40 GHAB CCN(CC)C(=O)Cn1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c2ccccc21 409127589 OEQNYDVVXXJPJL-WQRHYEAKSA-N 399.516 3.954 0 40 GHAB O=C(CSc1nncc2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 12749642 ROZCOWKMGZTNIM-UHFFFAOYSA-N 398.919 3.724 0 40 GHAB C[C@H](O)CNc1nc2ccccc2n1CC(=O)Nc1ccc(C(C)(C)C)cc1 28914684 OPPQBLFGSVEFOI-HNNXBMFYSA-N 380.492 3.765 0 40 GHAB C[C@H]1CCC[C@H](C)C12NC(=O)N(CN(Cc1ccccc1)CC(F)(F)F)C2=O 12733881 DUYPVLHBWLVEKQ-GJZGRUSLSA-N 397.441 3.755 0 40 GHAB CCC(CC)C(=O)N1CCN(CCCc2nc(-c3ccc(C)cc3)no2)CC1 59850483 VBETYEJOPZLIFI-UHFFFAOYSA-N 384.524 3.558 0 40 GHAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(N2CCCC2)cc1 11753277 NBCSOBVAGHWBJZ-NXTQRVMMSA-N 395.547 3.946 0 40 GHAB O=C(CCn1nnc(-c2ccc(Cl)cc2)n1)Nc1ccc(Cl)cc1F 12808888 CMLHGHMXUMXDHG-UHFFFAOYSA-N 380.210 3.815 0 40 GHAB CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)C1CCCCC1 12987911 QGDXPILSXTUAMM-UHFFFAOYSA-N 392.565 3.902 0 40 GHAB CCCCc1ccc(C(=O)COC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1 13007434 HVUHYFFPRVFZBS-UHFFFAOYSA-N 395.455 3.719 0 40 GHAB COc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)sc2c1 8265710 UQTPSSFJSSAGKC-AWEZNQCLSA-N 395.484 3.913 0 40 GHAB O=C(O)C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccccc1 13427769 QGPZHAQVIGVDJP-SFHVURJKSA-N 383.375 3.944 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C)C(=O)[C@]31C 4073681 VMHDHLKSIKOFIO-QFIPXVFZSA-N 375.428 3.725 0 40 GHAB biogenic O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)Nc1cc(Cl)ccc1Cl 13691323 LALKWQQNXVSRPJ-CQSZACIVSA-N 375.215 3.519 0 40 GHAB CSc1ccccc1C(=O)N1CCN([C@H](CCC(=O)O)c2ccccc2)CC1 408613623 YXSWQTNUCCKUDM-LJQANCHMSA-N 398.528 3.772 0 40 GHAB CC(C)CN1CCC(C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 65474294 PCTFHXLFNKVAPA-KRWDZBQOSA-N 395.341 3.757 0 40 GHAB CN(C)CCCNc1nc(-c2ccc(CNC(=O)C(C)(C)C)s2)cs1 14120223 XTPVMYZSWLQQOB-UHFFFAOYSA-N 380.583 3.898 0 40 GHAB CC(=O)N(C)Cc1ccc(C(=O)COc2ccc(F)cc2Br)cc1 14250797 OLBZDBDNKRTSDD-UHFFFAOYSA-N 394.240 3.828 0 40 GHAB CCc1c(C)sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1C(=O)OC(C)C 4628337 OZWTZZHRAGQRGB-DHMWGJHJSA-N 391.489 3.646 0 40 GHAB COc1cc(CCC(=O)OCC(=O)c2ccc(Cl)s2)cc(OC)c1OC 6639445 VCJIKQRBELLZIQ-UHFFFAOYSA-N 398.864 3.786 0 40 GHAB Cc1ccc(NC(=O)[C@]23C(=O)Oc4ccccc4[C@H]2[C@@H]3C(=O)C(C)(C)C)cc1 4751493 RICYKHWFWHJOBY-IXFSTUDKSA-N 377.440 3.868 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccccc2o1 5636557 QFTXLQCJGDDIPF-UHFFFAOYSA-N 384.457 3.860 0 40 GHAB COc1ccc2cc(-c3nc(-c4ccc(OC)c(OC)c4)no3)c(=O)oc2c1 6868052 HERKAECTBQHQTP-UHFFFAOYSA-N 380.356 3.536 0 40 GHAB O=C1C[C@@H](c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc2c(c1)OCCO2 8605200 KJNAONZDZUTABK-CYBMUJFWSA-N 397.818 3.682 0 40 GHAB C[C@H](OC(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2n1C(F)F 6970891 CEIOULZQTHTYMI-NSHDSACASA-N 398.369 3.596 0 40 GHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cc1 18073568 DZRCLDLWRVDLHF-UHFFFAOYSA-N 398.459 3.777 0 40 GHAB O=S(=O)(NCCCn1ccc2ccccc21)c1ccccc1Br 7059501 IWKAYTSUFJBWDK-UHFFFAOYSA-N 393.306 3.772 0 40 GHAB CCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)cc1C 7572423 JFAJWLKFHGKUIS-UHFFFAOYSA-N 388.533 3.603 0 40 GHAB Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)CCc3ccsc3)c2C)cc1 7556537 XXAAHEQAOHKUIE-UHFFFAOYSA-N 397.500 3.974 0 40 GHAB COc1ccc(Nc2nc(NCc3ccco3)nc3c2cnn3C)cc1Cl 9212241 CZJYGBRALUJJDC-UHFFFAOYSA-N 384.827 3.974 0 40 GHAB O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1 19817648 PGFNXNMYXXWHBJ-FQEVSTJZSA-N 397.438 3.548 0 40 GHAB CC(=O)Nc1ccc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1 96635172 UFPJGPQVDYPYJH-MHWRWJLKSA-N 385.217 3.752 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)Nc1nc(-c2c[nH]c3ccccc23)cs1 9723221 OPWBHVXHXFODFI-UHFFFAOYSA-N 390.424 3.838 0 40 GHAB O=C(N[C@@H]1CCSc2c(F)cccc21)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 84445621 KTIRRUIGGQCONN-RVKKMQEKSA-N 394.512 3.732 0 40 GHAB CC(C)(C)Oc1cccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)n1 95454143 BFGMLQMGFHFOKS-UHFFFAOYSA-N 388.556 3.855 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1C 26464667 HHFWQWNCFDFCTR-WOJGMQOQSA-N 396.468 3.987 0 40 GHAB COc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccco5)CCO4)nnn3c2)cc1 306131195 JYKUUSPVBAUQMT-NRFANRHFSA-N 390.443 3.571 0 40 GHAB CCCNC(=O)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409131385 XTWYUVDNTKZWRI-UHFFFAOYSA-N 380.429 3.628 0 40 GHAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ncccc1C 408619797 HMPHXXDPIOTLHZ-UHFFFAOYSA-N 394.294 3.596 0 40 GHAB Cc1cc(C)c(NC(=O)COc2ccc(I)nc2)c(C)c1 123092686 JJVBVDDAVRMWCD-UHFFFAOYSA-N 396.228 3.629 0 40 GHAB O=C(c1nnsc1-c1ccccc1)N1CCN(Cc2ccccc2Cl)CC1 72239951 ADWTUBCGIKMWDV-UHFFFAOYSA-N 398.919 3.817 0 40 GHAB CCc1ccc(-n2c(C)nc3nc(N4CCC(C)CC4)[nH]c(=O)c3c2=S)cc1 40386877 BKNKKPILEPGUJC-UHFFFAOYSA-N 395.532 3.945 0 40 GHAB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)Nc1ccccc1 138511863 NZTPHFUZRVXKBV-USNOLKROSA-N 377.440 3.714 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CSc1nccnc1N1CCSCC1 48987250 FHPYHQLGOZSLJL-UHFFFAOYSA-N 394.953 3.722 0 40 GHAB Cc1cccc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 224516205 UHEKAOZCYJINAJ-HXUWFJFHSA-N 380.532 3.770 0 40 GHAB Cc1cccc(CN(C)C(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 224515633 FAYLZPYEQHUJNV-UHFFFAOYSA-N 386.517 3.506 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225415085 JUMSZCRSVCCZKA-INIZCTEOSA-N 392.496 3.558 0 40 GHAB Cc1oc2cc3oc(=O)c(CC(=O)NCCCOC(C)C)c(C)c3cc2c1C 40309956 YCPBDVLUOXTLDS-UHFFFAOYSA-N 385.460 3.938 0 40 GHAB biogenic CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 225594367 GGHAYRILIABJFD-OAHLLOKOSA-N 390.886 3.964 0 40 GHAB CCc1cc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)ccc1OC 223682448 OLDCBHNSJMUVIS-AWEZNQCLSA-N 390.505 3.587 0 40 GHAB CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224900556 IJUKGKWYVINPSU-UHFFFAOYSA-N 386.395 3.879 0 40 GHAB COc1ccc(CNC(=O)CSCc2ccc(C)cc2)c(OC)c1OC 45202960 FEYQZZREWAEUQO-UHFFFAOYSA-N 375.490 3.570 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 222478083 ZDGVGHIIVOUHLZ-SFHVURJKSA-N 382.504 3.661 0 40 GHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 223710934 LKMHIBJUYQAFBK-HOTGVXAUSA-N 395.937 3.722 0 40 GHAB O=C(c1cnc(-c2ccc(Cl)cc2)nc1)N1CCN(c2ccccc2F)CC1 222607312 VBEVTVMUNJXPNF-UHFFFAOYSA-N 396.853 3.899 0 40 GHAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCOCC2)cc1O 95478402 GLDZQFKSWVLHHJ-MRXNPFEDSA-N 375.450 3.541 0 40 GHAB CCCn1cnc(-c2nc(C(=O)NCc3ccccc3OC)c3ccccn23)c1 96037976 JULGKMVMSRXFPV-UHFFFAOYSA-N 389.459 3.546 0 40 GHAB CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cccc(OC)c1 95116591 DBOSUCFDUUFXSO-JOCHJYFZSA-N 395.503 3.723 0 40 GHAB CCOc1cc([C@H](N)c2n[nH]c(-c3ccc(C(F)(F)F)cc3)n2)ccc1OC 95534434 GMRYDUBDHSZLRX-INIZCTEOSA-N 392.381 3.946 0 40 GHAB CC[C@@H]1C=CC[C@@H]2C(=O)N(CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 245377506 LQRUMGGMHSEQQW-XAGWURHQSA-N 381.259 3.519 0 40 GHAB Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)n1 257270161 MTAJPBPGGXKEGP-QGZVFWFLSA-N 398.470 3.743 0 40 GHAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@@H](C2)N1Cc1ccc(OC2CCCC2)cc1 257272519 NCRWHEKHCBGHJR-ZWKOTPCHSA-N 379.504 3.944 0 40 GHAB CC(C)C[C@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1Oc1cccc(F)c1 257215120 COTZGTVMRCIPGS-JTHBVZDNSA-N 385.479 3.825 0 40 GHAB Cc1cc(NC(=O)N2CCc3ccc(O)cc3CC2)nn1-c1cccc(F)c1 678963911 CTEGLYGKXSJFEK-UHFFFAOYSA-N 380.423 3.658 0 40 GHAB CCOc1ccc2c(c1)[C@@H](NC(=O)c1cccc(Oc3cnccn3)c1)CCO2 681263671 NXSVSVOCKAKNOM-IBGZPJMESA-N 391.427 3.921 0 40 GHAB O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CCCCN1Cc1ccccc1 607283487 VGWZRYPPFQBXIE-QHCPKHFHSA-N 392.543 3.906 0 40 GHAB COc1ccc(/C=C/C(=O)NCC[C@@H](O)c2cc3ccccc3o2)cc1OC 96097258 CTJGAVOGYGELRP-SYJIQKIWSA-N 381.428 3.703 0 40 GHAB CCOc1ccccc1CN1CCC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 72392904 VHYKVSVHKOBRQP-SFHVURJKSA-N 390.487 3.610 0 40 GHAB O=C(Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)N1CC2(CCOC2)C1 580697895 SGCYAZCPUYPDQC-UHFFFAOYSA-N 395.246 3.830 0 40 GHAB COc1ccc(CN2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)c(C)c1 1615123479 RVQDKJGZWWFCEZ-XMMPIXPASA-N 394.515 3.792 0 40 GHAB CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)N[C@H](C)CC)[nH]c(=O)c12 5272148 IGELHKHABZNKLB-GHMZBOCLSA-N 381.567 3.888 0 40 GHAB CCCCc1ccc(NC(=O)Cn2nc(-c3ccc(OC)cc3)ccc2=O)cc1 5388960 HEBDXEIXKSPVKN-UHFFFAOYSA-N 391.471 3.900 0 40 GHAB COc1cc(C)c(CNC(=O)c2sc3ncn(C)c(=O)c3c2C)cc1C(C)C 12193894 RHZCIUFANUHPQH-UHFFFAOYSA-N 399.516 3.674 0 40 GHAB COc1cccc(COC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1OC 12923263 NMGFLOUKLQBDSM-UHFFFAOYSA-N 397.471 3.608 0 40 GHAB O=C(Oc1ccccc1N[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1 13637248 MSTZUYFPDXIAEF-IBGZPJMESA-N 386.407 3.650 0 40 GHAB COc1cc(OC)cc(O[C@H](C)C(=O)Nc2cccc(Br)c2)c1 15394884 GBPAFJSYNOGUNW-LLVKDONJSA-N 380.238 3.872 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccsc2)c2ccc(C)cn2)cc1 19215675 KNOHBKAEDLCVPN-LJQANCHMSA-N 388.514 3.722 0 40 GHAB COc1cccc(-c2cnc(NCC[C@H]3CCCCO3)nc2-c2nccn2C)c1 19291647 RMPCIKSWDOCBSF-QGZVFWFLSA-N 393.491 3.924 0 40 GHAB O=C(c1ccc(Cn2cccn2)o1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 19375760 OXDBOSUHEYJFMC-SFHVURJKSA-N 375.432 3.768 0 40 GHAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)[C@H]4CCCO4)C3)noc2n1 19521946 JCSKQDLCWWPYJN-SMDDNHRTSA-N 397.397 3.689 0 40 GHAB CCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 19533268 BCTVJMDFHXEUTE-NRFANRHFSA-N 390.487 3.958 0 40 GHAB CNc1cc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)CN3C)ccn1 19592072 KCXUKWZVPSXCSO-VWPQPMDRSA-N 396.510 3.745 0 40 GHAB Cn1c(CN2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)nc2ccccc21 19712597 ZOYBDUOGIZXWII-VNZMSGEBSA-N 388.515 3.600 0 40 GHAB CCn1ncc(-c2cc(C(=O)NCC3(c4ccccc4Cl)CC3)on2)c1C 19719166 ZEERIOCHHVPFAD-UHFFFAOYSA-N 384.867 3.981 0 40 GHAB Cn1cc(Cl)c(C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)n1 627593455 VVCWNQMLSZNOQH-UHFFFAOYSA-N 378.807 3.569 0 40 GHAB Cc1cccc(CC(=O)N2CCC[C@H](c3nc(O)cc(-c4ccccn4)n3)C2)c1 12256809 KQBFFMJZSFAUTM-SFHVURJKSA-N 388.471 3.501 0 40 GHAB Cc1ccc(CC(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)cc1 12337183 OQMANBPBZBXQFB-YKSBVNFPSA-N 392.499 3.559 0 40 GHAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NCc4cccs4)cc3c2C1 3533382 HQSSTRHZKKZTPV-ZDUSSCGKSA-N 382.485 3.827 0 40 GHAB CCN(C(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)c1ccc(F)cc1 6087749 ITFMFINLILHLJL-UHFFFAOYSA-N 385.464 3.529 0 40 GHAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(c2ccc(C(C)=O)cc2)CC1 26160948 GANDAXIWRDIESF-FQEVSTJZSA-N 386.879 3.579 0 40 GHAB CCn1cc(CN2CC[C@H]3[C@@H]2CC(=O)N3Cc2c(Cl)cccc2Cl)cn1 1565550378 AXSLEMRFPLUPKK-ROUUACIJSA-N 393.318 3.585 0 40 GHAB C[C@@H]1CCCN(C(=O)c2ccc(-n3c(=S)[nH]c4ccccc4c3=O)cc2)C1 3043586 VNKIFKVSLLTICO-CQSZACIVSA-N 379.485 3.920 0 40 GHAB COC(=O)c1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cc1 4135007 XVSRGRJXPFOMCC-UHFFFAOYSA-N 390.464 3.852 0 40 GHAB Cc1cccc(-c2nc3scc(CCNC(=O)c4cccc(F)c4)n3n2)c1 4374696 BZMKIXGPGYDTAK-UHFFFAOYSA-N 380.448 3.878 0 40 GHAB CCOc1ccc(C(=O)N(c2cc(C)cc(C)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 5082861 SRQVMVFMSHZAQU-GOSISDBHSA-N 385.485 3.660 0 40 GHAB Cc1cccc2sc(NC(=O)N[C@@H]3CC(=O)N(c4cccc(F)c4)C3)nc12 5194056 OTPREHIUZGYRFT-CYBMUJFWSA-N 384.436 3.671 0 40 GHAB O=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccc(Br)s2)o1 11695473 GTGQHGNTYNUVEI-UHFFFAOYSA-N 382.214 3.881 0 40 GHAB O=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1ccccc1Br 11901895 YQHYQFNLYLBPMA-UHFFFAOYSA-N 384.270 3.598 0 40 GHAB CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CCOC)CCC3)cc1 35588213 BDIUTWAIVHLUCY-UHFFFAOYSA-N 388.533 3.839 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC(c2nc(-c3ccccc3)no2)C1 49031874 XWLCMJIZOPRCGW-UHFFFAOYSA-N 389.390 3.505 0 40 GHAB CCc1ccc(N2C[C@@H](c3noc(-c4cc(OC)cc(OC)c4)n3)CC2=O)cc1 44415845 TZBKLRHSMVEINB-INIZCTEOSA-N 393.443 3.837 0 40 GHAB CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 40034499 MMKVRSICIVVAAZ-LPHOPBHVSA-N 378.538 3.510 0 40 GHAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(c3cccc(F)c3)[C@@]1(C)Oc1ccccc12 100029724 MSYUJBRIVGNFNE-UWVAXJGDSA-N 386.448 3.549 0 40 GHAB CC(C)(C)c1cccc(OCC(=O)NCc2ccc(N3CCCC3=O)cc2)c1 30398927 PCNWDLAIHQAWDZ-UHFFFAOYSA-N 380.488 3.806 0 40 GHAB O=C(CCNC(=O)c1ccoc1)Nc1ccccc1N1CCc2sccc2C1 40134152 FBCKQSFFUXLILZ-UHFFFAOYSA-N 395.484 3.662 0 40 GHAB Cc1cccc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 8086262 WPWOERRYABEXMV-UHFFFAOYSA-N 393.512 3.741 0 40 GHAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(N2CCOC2=O)c1 79072337 BBYBMEAJUINAKP-SFHVURJKSA-N 394.475 3.906 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 21708570 HQSDBQYQQPJHAS-FQEVSTJZSA-N 399.487 3.924 0 40 GHAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 6800787 WQZWMWMYXYLAFW-UHFFFAOYSA-N 386.395 3.646 0 40 GHAB COc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1C 6913469 DLKJYTNAPYKOGB-LBPRGKRZSA-N 386.452 3.749 0 40 GHAB C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 103028416 MHJOGDJMUSFXMV-FWXUTCFWSA-N 381.419 3.774 0 40 GHAB O=C(NC12CC3CC(CC(C3)C1)C2)N1[C@@H]2CC[C@@H]1CC(O)(c1cccnc1)C2 100463862 LPBHSCZFPKGHDD-XXYORIAFSA-N 381.520 3.574 0 40 GHAB Cc1cc(C)n2nc(C(=O)OCc3csc(-c4ccc(Cl)cc4)n3)nc2n1 8283032 RXLNSEXXCCQMAF-UHFFFAOYSA-N 399.863 3.875 0 40 GHAB O=C(COC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl)Nc1ccccc1 8412491 KDMRDJDVZQDAGF-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB COc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccccc1F 8535050 NIHDAKLZNZBEIH-GFCCVEGCSA-N 398.272 3.646 0 40 GHAB Cc1nc(Nc2cccc(NC(=O)c3ccc(=O)[nH]n3)c2)cc(-c2ccccc2)n1 12234181 PAQQQYJTZABDFL-UHFFFAOYSA-N 398.426 3.531 0 40 GHAB O=C1N=C(O)[C@H]2[C@H]1[C@@H](C(=O)c1cccs1)N1c3ccc(Cl)cc3C=C[C@H]21 8993355 RRKMLLGXBGFJBG-OJLVUWQFSA-N 384.844 3.598 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)Cc2ccc(Br)cc2)c1 46929275 YOVYBQCVENOPKQ-UHFFFAOYSA-N 382.279 3.954 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)c3ccccc3SCC(N)=O)ccc2o1 33215887 CJCDDWKNHANUHE-UHFFFAOYSA-N 383.473 3.955 0 40 GHAB O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2cnn(Cc3ccccc3Cl)c2N1 61719525 DJWBCXQHLTVWOG-HNNXBMFYSA-N 381.819 3.757 0 40 GHAB Fc1ccc(CN2CCCN(Cn3nc(-c4ccco4)oc3=S)CC2)cc1 22933951 RSCUFEMSWZTUEQ-UHFFFAOYSA-N 388.468 3.770 0 40 GHAB CCn1c([C@@H]2CCCN2C(=O)c2ccc([S@@](C)=O)cc2)nc2ccccc21 72230285 PNXKNWHEMOUJRH-PPHZAIPVSA-N 381.501 3.771 0 40 GHAB O=C(NC1=NCCS1)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1 24759357 SATWLPLGGQWWMV-UHFFFAOYSA-N 390.440 3.712 0 40 GHAB O=C(N1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1(c2ccccc2)CCC1 24941786 HPFJOMKVDDQDQG-UHFFFAOYSA-N 389.421 3.871 0 40 GHAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cnc(Cl)c(Cl)c1 3246795 WRRUZQHBRVFHNV-UHFFFAOYSA-N 381.259 3.982 0 40 GHAB COC(=O)c1ccccc1N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl 1446740 RDWIXJORBBBXGM-GFCCVEGCSA-N 381.687 3.744 0 40 GHAB O=C(Oc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccs1 103599806 FXESKKNNMUZRBR-NXKWAJLKSA-N 399.855 3.932 0 40 GHAB CCOc1ccc(C2(CNC(=O)N3CCc4ccccc43)CCOCC2)cc1 56523842 ZOQJZJAYDDJUFF-UHFFFAOYSA-N 380.488 3.906 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)cn3)cc2)cc1 23079678 IHWCRPYVXLHSBS-UHFFFAOYSA-N 395.484 3.776 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)NCCc3ccccc3)o2)c1C 59176243 VIQPJSJAYJVKGU-UHFFFAOYSA-N 397.500 3.716 0 40 GHAB COc1ccc(CCNC(=O)CCc2ncc(-c3ccccc3)o2)cc1OC 26676524 KOTAVUOJMBPGIE-UHFFFAOYSA-N 380.444 3.650 0 40 GHAB CC(C)n1ncc2cc(NC(=O)NC[C@@H](c3ccccc3)N3CCCC3)cnc21 48278151 ZVQBNOQOZKGGRP-FQEVSTJZSA-N 392.507 3.971 0 40 GHAB Cc1c(NC(=O)c2cc3ccccc3oc2=O)cccc1C(=O)N1CCCC1 58179780 WKZGEUIYFRBYRG-UHFFFAOYSA-N 376.412 3.590 0 40 GHAB O=C(Nc1cccc(NC(=O)N2CCC[C@@H](N3CCCC3)C2)c1)c1ccco1 58216486 PHOSBJPNQCMYAI-GOSISDBHSA-N 382.464 3.624 0 40 GHAB CSc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCCCCC1 26119476 CXSKHZNPKDLXDK-UHFFFAOYSA-N 384.567 3.502 0 40 GHAB CC(C)(C)N(Cc1cccnc1)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 97165011 UUGMELUJKUAKSO-UHFFFAOYSA-N 382.432 3.519 0 40 GHAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 27824414 LYYXGYKFOWWPCI-ZIAGYGMSSA-N 375.918 3.625 0 40 GHAB O=C(NCCCCOc1ccc(F)cc1)N1CCC(N2CCCCC2)CC1 45256276 YUDXFGRRGKUCFA-UHFFFAOYSA-N 377.504 3.645 0 40 GHAB CC[C@@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccc(Cl)cc1 58953254 ZVVKMLVYYOUZQX-GOSISDBHSA-N 377.916 3.835 0 40 GHAB C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1 12967957 RSKWWTJDSFGNOO-CVEARBPZSA-N 397.500 3.545 0 40 GHAB CC[C@H](CNC(=O)Cn1c(S)nnc1-c1ccc(C)cc1)c1ccccc1 12920953 VIPZYJLVCSJKMG-MRXNPFEDSA-N 380.517 3.852 0 40 GHAB CN(C)C(=O)N1CC[C@]2(CN(CC3CC3)Cc3sc(-c4ccccc4)nc32)C1 306136615 PYLBBTIBYCDZCK-QFIPXVFZSA-N 396.560 3.661 0 40 GHAB Cc1c(N2C(=O)[C@@H](C)S[C@H]2c2ccccc2)c(=O)n(-c2ccccc2)n1C 8715616 QKWGWRNFIYSVPV-VFNWGFHPSA-N 379.485 3.652 0 40 GHAB O=C(COC(=O)[C@@H]1C[C@@H]1c1ccco1)Nc1ncc(C(F)(F)F)cc1Cl 64584031 LNEAJZUBQARHET-VHSXEESVSA-N 388.729 3.632 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2N1Cc1ccccc1 306138003 RMKDPPYETDNTHO-YADHBBJMSA-N 375.447 3.709 0 40 GHAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C(=O)O)cc1 6170587 NWRIEZNFJDQRMN-RUDMXATFSA-N 376.206 3.808 0 40 GHAB C[C@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1ccc(Cl)cn1 14016428 CXZHRVILTBWOSA-JTQLQIEISA-N 393.925 3.635 0 40 GHAB O=C(Cc1ccccc1F)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 65576708 SEDNUBZEQSMJPO-INIZCTEOSA-N 383.398 3.964 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)c1C 5326329 JRCXGZSTDIJDKV-CYBMUJFWSA-N 382.416 3.718 0 40 GHAB CCN(C(=O)COC(=O)c1cn(C)c2ccccc12)c1nc2ccccc2s1 17206895 XGVZACZECQDPNS-UHFFFAOYSA-N 393.468 3.998 0 40 GHAB Cc1ccc(-n2c(S[C@H](C)C(=O)N3CCOCC3)nc3ccccc32)cc1 8725340 JYPHXNNEXZTWSX-MRXNPFEDSA-N 381.501 3.673 0 40 GHAB Cc1cc2ccccc2n1CC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 8746525 BNOCTOOIKZPRLM-OAQYLSRUSA-N 376.435 3.728 0 40 GHAB O=C(CN1C(=O)c2ccccc2O[C@H](c2ccccc2)C1=O)c1ccc(F)cc1 6719570 VXLCINNXYJMZKC-OAQYLSRUSA-N 389.382 3.811 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccccc2N2CCOCC2)c1 15039112 LISVAGMIOJOCHH-LJQANCHMSA-N 381.520 3.599 0 40 GHAB O=C(c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1)N1CCCCCC1 67262858 OPPRIDGNEHKUJP-UHFFFAOYSA-N 381.867 3.999 0 40 GHAB COC(=O)c1ccc(OC(=O)c2cc(C3CC3)nn2-c2ccccc2)c(OC)c1 15356347 XOADBCPZCPLMRD-UHFFFAOYSA-N 392.411 3.764 0 40 GHAB Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)cc2s1 7242117 FRSQUBVSTAHNLY-CQSZACIVSA-N 396.516 3.880 0 40 GHAB Oc1ccc(-n2nnnc2SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 7682474 JHMQWVAZPQSCSW-UHFFFAOYSA-N 385.836 3.969 0 40 GHAB CCOc1ccc(CN(C)C(=O)CNC(=O)Cc2cccc3ccccc23)cc1 7989547 ONHCDZMWSDKIIG-UHFFFAOYSA-N 390.483 3.556 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 8987049 IUYFZTNFHZBPNJ-MRXNPFEDSA-N 396.871 3.579 0 40 GHAB Cc1noc(C)c1COc1ccc(CC(=O)n2cccc/c2=N\C(C)C)cc1 22378882 SFLWKEHOXLISFL-XTQSDGFTSA-N 379.460 3.864 0 40 GHAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1F 8082991 UKKMTYADRKSXSF-UHFFFAOYSA-N 386.448 3.594 0 40 GHAB Cc1ccccc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3C)C2)s1 9199292 ONFXGUIVKDZTJS-OAHLLOKOSA-N 392.484 3.928 0 40 GHAB C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@H](c2nc[nH]n2)C1 72313892 NUONCDWWIZHTIW-YPMHNXCESA-N 392.385 3.814 0 40 GHAB COc1ccc(NC(=O)c2nnc(CN[C@@H](C)c3cccc(F)c3)s2)cc1 96795034 MWBSTEAALUXXDT-LBPRGKRZSA-N 386.452 3.789 0 40 GHAB O=C(CSCc1ccc(Cl)s1)Nc1cnn(CCN2CCCCC2)c1 95459053 HVOFXNPCGLVBNV-UHFFFAOYSA-N 398.985 3.956 0 40 GHAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCOCC2)cc1O 95478401 GLDZQFKSWVLHHJ-INIZCTEOSA-N 375.450 3.541 0 40 GHAB Cc1nc([C@@H]2CCCN(C(=O)CCc3cccc(OC4CCCC4)c3)C2)n[nH]1 95966352 VBUHJLOVYLVLBJ-GOSISDBHSA-N 382.508 3.773 0 40 GHAB O=C(CSc1nccc(O)n1)Nc1ccc(Br)c2ccccc12 408545684 ZXMZFGPWXRAEOO-UHFFFAOYSA-N 390.262 3.829 0 40 GHAB CC(C)c1nccc(C2CCN([C@H](C)C(=O)Nc3ccnn3C(C)C)CC2)n1 89893781 DOIUVDYOUCFXND-MRXNPFEDSA-N 384.528 3.584 0 40 GHAB O=C(C[C@@H]1OCCc2ccsc21)N1C[C@@H](n2cccn2)Cc2ccccc21 89857881 RJKGMIVUNXAMHC-HKUYNNGSSA-N 379.485 3.779 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 22528950 VJXOLTHRGNTKLE-ZDUSSCGKSA-N 380.897 3.978 0 40 GHAB O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)Nc1ccccc1F 32647191 RYUAVTLWULMFQI-UHFFFAOYSA-N 387.414 3.765 0 40 GHAB COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C(C)C)oc1C)CC2 512913506 PLAIBCPUCLBBGP-UHFFFAOYSA-N 386.492 3.517 0 40 GHAB Cc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccncc5)CCO4)nnn3c2)cc1 306141690 WEAVITLAIAUROY-QFIPXVFZSA-N 385.471 3.673 0 40 GHAB Cc1nc(Nc2ccc(C(F)(F)F)cc2)cc(N2CCC[C@H](C(=O)O)C2)n1 217366159 LBWDGKZTMZOSEN-LBPRGKRZSA-N 380.370 3.848 0 40 GHAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1 32610739 GRSDYVJMYIEISQ-ZIAGYGMSSA-N 395.818 3.542 0 40 GHAB C[C@@H](NC(=O)N1CCC(C)(N2CCOCC2)CC1)c1ccccc1C(F)(F)F 527696591 ULHMMZHPBFKTCF-OAHLLOKOSA-N 399.457 3.663 0 40 GHAB CC(C)c1nccn1-c1cncc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 72355332 KEBKICIFFTXZLM-GOSISDBHSA-N 375.476 3.806 0 40 GHAB Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72219395 XFJFJBYLEBWBTA-FQEVSTJZSA-N 381.476 3.700 0 40 GHAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(-n2cnnc2)c1 32646846 VZTRGYVSHJVSDI-OAHLLOKOSA-N 380.448 3.807 0 40 GHAB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(CC[C@H](C)c2ccccc2)C3)CC1 72389557 YWQDDJSFYAVFQZ-SFHVURJKSA-N 380.536 3.558 0 40 GHAB CSc1ccc(S(=O)(=O)N(CC(=O)O)c2c(C)cc(C)cc2C)cc1 224988508 YBHHKQCZXZXWPL-UHFFFAOYSA-N 379.503 3.614 0 40 GHAB CCCCOc1ccc(C(=O)Nc2cc(N3CCOCC3)c(N)cc2C)cc1 226264479 GDMJVKWCFGAHSW-UHFFFAOYSA-N 383.492 3.845 0 40 GHAB NC(=O)c1ccc(OCc2ccc(Br)cc2)c(Br)c1 226328826 PYRDJCYAPDSUHP-UHFFFAOYSA-N 385.055 3.890 0 40 GHAB CC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)cc1 46716415 FRKLMBOIPRYPAR-UHFFFAOYSA-N 388.851 3.698 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1C(C)C 225057397 GQSBSZNNGSUVIA-UHFFFAOYSA-N 392.502 3.533 0 40 GHAB CCc1ccc(C(=O)N2C[C@@H](C(=O)Nc3ccccc3)C3(CCOCC3)C2)cc1 96078689 NKENTUAFZKBLNL-NRFANRHFSA-N 392.499 3.757 0 40 GHAB C[C@@H]1C(c2ccc(F)cc2)=NO[C@H]1C(=O)N[C@H](c1ccccc1)c1cccnc1 247947833 IYYDYLUMERKHEI-UJUVCNOISA-N 389.430 3.866 0 40 GHAB CCn1cc(CN(C)[C@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@@H]2O)cn1 257280321 OKKDYGVPXUSSKI-LKTXNROYSA-N 397.563 3.970 0 40 GHAB c1cnc(Nc2ccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)nc2)nc1 257305559 SQOCXAIHNUAJLV-JOCHJYFZSA-N 398.470 3.737 0 40 GHAB C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2cccnc2-n2ccnc2)CC1 585082660 AWAJVOUPMIGHOG-HSZRJFAPSA-N 389.503 3.921 0 40 GHAB COc1ccc(CCC(=O)NC[C@](O)(c2ccsc2)c2cccs2)cc1 253407216 VTDFCORTFOJZAV-FQEVSTJZSA-N 387.526 3.803 0 40 GHAB CN1[C@H]2CCCCCN(C(=O)c3nccn3C)[C@@]2(C)C[C@H]1Cc1ccccc1 257337343 YSLBMHHSQNDWNN-QTEQDKRBSA-N 380.536 3.510 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@@H]1CCc1cncc(-c2c(C)noc2C)n1 257291941 QJIKFEKXYDBPQS-MRXNPFEDSA-N 397.504 3.751 0 40 GHAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cccnc4)C3)o2)cc1 257264281 LTSCONGQMHABFN-GOSISDBHSA-N 377.444 3.689 0 40 GHAB Cc1cc(C)n(CCCNC(=O)Nc2cnc(Cl)c(Br)c2)n1 95942319 WPSZZDPUEKQQSO-UHFFFAOYSA-N 386.681 3.523 0 40 GHAB COc1cccc([C@@H]2C[C@H](C)CN2S(=O)(=O)c2c(F)cc(F)cc2F)c1 1663033725 KFPQMOONBMBLJK-GTNSWQLSSA-N 385.407 3.884 0 40 GHAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3F)c2)nn1 5204296 MNDGWXVSRPNSML-UHFFFAOYSA-N 391.399 3.621 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccccn1 5622328 LISITNHVHWLJPN-UHFFFAOYSA-N 386.395 3.856 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)CN1C(=O)c2ccccc2C1=O 5654177 AHFOCLQCVAVXOZ-UHFFFAOYSA-N 379.456 3.940 0 40 GHAB Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)on1 12115923 TUCDVIKJLBQIMN-UHFFFAOYSA-N 394.479 3.615 0 40 GHAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 19463030 IZGBIQDJIUXIFK-LDJQZATESA-N 382.529 3.708 0 40 GHAB COc1ccccc1CN(Cc1cccnc1)C(=O)Cc1sc(C)nc1C 19560355 ITIQRWSHENMOLR-UHFFFAOYSA-N 381.501 3.935 0 40 GHAB COc1ncc(CN2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cn1 19564407 BXJCGDGMOXHONY-CYBMUJFWSA-N 389.406 3.647 0 40 GHAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccc(-c3cnn(C)c3)cn2)cc1 19691772 VHQLQHPYJMTPHP-JOCHJYFZSA-N 390.487 3.787 0 40 GHAB CC(C)/N=C1\S/C(=C/c2cn(CC(=O)O)c3ccccc23)C(=O)N1C(C)C 6325088 NQBPWQSEHWXPIY-SUZTUZHYSA-N 385.489 3.815 0 40 GHAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccncc1 6356094 PVUFCZVKGXWHTD-OVMKCGGTSA-N 385.265 3.950 0 40 GHAB Cc1noc(C)c1C(=O)N1Cc2ccccc2NCC[C@H]2CC[C@@H](C1)N2C(C)C 643578270 LAFXAEVHDCMNOP-UXHICEINSA-N 396.535 3.991 0 40 GHAB COCCOc1ccc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)cc1 19589284 SAVPIWKUSDCZLG-WXFUMESZSA-N 398.522 3.913 0 40 GHAB O=C(COc1ccc(-c2ccccc2)cc1)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1889054801 GPTCYIFAWNCOEC-SFTDATJTSA-N 376.500 3.675 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037985567 OAHQKRGQCYTXAO-QFIPXVFZSA-N 398.890 3.768 0 40 GHAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cccc4ccccc34)o2)c1 5240552 OHQQNYJMHDCSJT-UHFFFAOYSA-N 393.424 3.546 0 40 GHAB COc1cc(OC)cc(-c2nnc(S)n2-c2cc(Cl)ccc2OC)c1 5796243 YDGYQWIPRZXXHJ-UHFFFAOYSA-N 377.853 3.902 0 40 GHAB CCC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2C1 8976970 ZFNBHQMGYLZILF-UHFFFAOYSA-N 394.496 3.935 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 2055822734 VILNIRLTKYCSGC-OAQYLSRUSA-N 388.870 3.991 0 40 GHAB CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cc4ccccn4c3)CC2)nn1 1775968790 WGFGZRWPAMBQGM-UHFFFAOYSA-N 392.503 3.958 0 40 GHAB Cn1cc([C@@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)Cc3ccccc32)cn1 575621260 ZOQMRLJJPWCHQP-KRWDZBQOSA-N 386.377 3.622 0 40 GHAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCc1cncc(-c2ccoc2)c1 585150522 ZNSMOCPATNQYJX-UHFFFAOYSA-N 396.390 3.980 0 40 GHAB C[C@H](NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1 2108886 YOYVKUKPZQPAAZ-OFQRWUPVSA-N 387.936 3.557 0 40 GHAB biogenic O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1C[C@@H]1CCCO1 40024914 CJVUTLGRYZUFLH-HRAATJIYSA-N 392.434 3.961 0 40 GHAB Cc1cc([C@@H](C)NC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)c(C)s1 40080918 UAYPFNLOWNUYCW-QRWLVFNGSA-N 388.533 3.762 0 40 GHAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 32094763 QNEOUKYGYHRGQP-OUZREKFBSA-N 375.472 3.625 0 40 GHAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccco1)C[C@@H]1CCCO1 20727216 QQYJEDHYCOPDNR-SFHVURJKSA-N 385.485 3.919 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 21183423 QPDRHRLCMUMCFL-SFHVURJKSA-N 378.881 3.728 0 40 GHAB O=C(CCNC(=O)N1CCC[C@H]1c1ccsc1)N1CCc2sccc2C1 52330682 QIXDPFAVYABDAZ-INIZCTEOSA-N 389.546 3.631 0 40 GHAB COC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1 976306 OOIQVANQPUBVEG-UHFFFAOYSA-N 388.880 3.798 0 40 GHAB COc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)c(Cl)nc2c1 1252137 KMCSWLNAGSELIM-UHFFFAOYSA-N 384.244 3.746 0 40 GHAB O=C(c1ccc(F)cc1)N1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 1332377 WYRWSQHIPBHNNX-UHFFFAOYSA-N 396.491 3.672 0 40 GHAB CCOC(=O)[C@@H](C(C)=O)[C@@H](C)[C@@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3846303 PFRRINIMSRUQHA-YZEAIEHJSA-N 396.524 3.600 0 40 GHAB CCC(=O)N(CCCN(C)C)c1nc(-c2cc(OC)ccc2OC)cs1 4186976 XLKCZXTWMUKOPW-UHFFFAOYSA-N 377.510 3.522 0 40 GHAB O=C(CN1CCCC1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 4820338 UKICNKKEIKGEPC-UHFFFAOYSA-N 397.544 3.591 0 40 GHAB COc1cc(C=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 6128279 YDLHMOYTHYLQIG-UHFFFAOYSA-N 378.222 3.596 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1F 6287169 RWTUGKREDDPBOZ-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)cc1 6604734 OYKHTZZQDFYABO-VMPITWQZSA-N 395.242 3.901 0 40 GHAB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3ccccc3Cl)cc21 6794490 XNMNPGYFHGMQLB-UHFFFAOYSA-N 398.894 3.773 0 40 GHAB COc1ccc2nc(NC(=O)CSc3ccc(NC(C)=O)cc3)sc2c1 7028467 NBEAFPQQMPWVOT-UHFFFAOYSA-N 387.486 3.994 0 40 GHAB O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)C12CC3CC(CC(C3)C1)C2 7171385 BUMYUHUOBHXFRK-UHFFFAOYSA-N 398.528 3.894 0 40 GHAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccccc1-c1ccccc1 102808696 XFDWKOZRUAHOQS-KDURUIRLSA-N 376.456 3.857 0 40 GHAB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(C)c2)cc1 8433454 VKBBSRXNFRQAJK-UHFFFAOYSA-N 398.459 3.684 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1F)c1ccccc1Cl 8810429 FQRSSSXUWDUIPT-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB CCNC(=S)Nc1cc(OCC)c(NC(=O)c2ccco2)cc1OCC 8829611 IUHXYVBJKVKHQR-UHFFFAOYSA-N 377.466 3.636 0 40 GHAB O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12389594 JVOOYMASZGBDKD-GOSISDBHSA-N 393.462 3.518 0 40 GHAB CSc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C)CCCC(C)C)n2)cc1 61721110 FRQJIYZMTBZHGQ-INIZCTEOSA-N 387.549 3.963 0 40 GHAB COC(=O)N[C@@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 3168234 PCRWEDMIAVSDCL-MRVPVSSYSA-N 391.107 3.679 0 40 GHAB CCN(CC)CCn1c(NC(=O)[C@H]2COc3ccccc3C2)nc2ccccc21 12549784 GYBVYAIHADQNAN-GOSISDBHSA-N 392.503 3.568 0 40 GHAB Nn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1Cl 938925 TYFKDQDNRGVSBT-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB COC(=O)c1ccoc1COC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 23392889 PGHDJMYZHKECOK-UHFFFAOYSA-N 388.807 3.879 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1Cl 12563728 SYEORNUAZVCBGJ-CYBMUJFWSA-N 387.867 3.915 0 40 GHAB COc1cc(CNC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccn1 24438952 VDXRBVAEQHPBAY-UHFFFAOYSA-N 375.428 3.581 0 40 GHAB O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccccc1Cl 1320405 IRTKFHNZUNUISQ-MRXNPFEDSA-N 380.625 3.515 0 40 GHAB O=C(Oc1ccc(F)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 3221111 TXSYITZYKQOORF-FQEVSTJZSA-N 389.382 3.639 0 40 GHAB CCOc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416417 FKSDGDWDVTZGAZ-AWEZNQCLSA-N 390.842 3.547 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2)c(-c2cccc(F)c2)n1 57508173 PIPJSEKDBPFKOQ-UHFFFAOYSA-N 385.826 3.904 0 40 GHAB O=C(Cc1cccs1)OCc1nnc(-c2ccc(Br)s2)o1 26845279 ZTKNGQSPNTXDQW-UHFFFAOYSA-N 385.264 3.908 0 40 GHAB C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)c1nc(-c2cccnc2)no1 48287555 SGFPHBXHXFEKMK-MRVPVSSYSA-N 379.203 3.939 0 40 GHAB C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(Cl)c3c(c2)OCCCO3)C1 58196887 QYXYOBIQUMFTIX-AWEZNQCLSA-N 380.916 3.742 0 40 GHAB COCc1nn2c(O)cc(-c3cc(C(C)C)n[nH]3)nc2c1-c1ccc(OC)cc1 100776000 FHBBNHWXMSCUMW-UHFFFAOYSA-N 393.447 3.770 0 40 GHAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)N1CCN(C2CCCC2)CC1 20139984 KHHRRXCIUMSBBV-OAQYLSRUSA-N 396.583 3.776 0 40 GHAB COc1ccc(NC(=O)[C@H](Sc2nncn2C)c2ccccc2)cc1Cl 3323448 LOARNXFIXNQKBU-MRXNPFEDSA-N 388.880 3.949 0 40 GHAB NC(=O)[C@@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1ccccc1 10376967 FNTDFFRHWRBSNA-SFHVURJKSA-N 393.516 3.576 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)cc2NC1=O 10677300 MOAGJZHZLULLKO-AWEZNQCLSA-N 392.484 3.577 0 40 GHAB COc1ccc([C@@H]2CC(=O)n3nc(-c4ccc(F)cc4)nc3S2)cc1OC 2347126 WXSKMZPLPNVNCI-INIZCTEOSA-N 385.420 3.979 0 40 GHAB CN(C)C[C@H](CC[C@@H](CN(C)C)C(=O)c1ccccc1)C(=O)c1ccccc1 2312760 HIDLIUDTNBBUQM-VXKWHMMOSA-N 380.532 3.888 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2Cc2ccccc2)c1 29000409 CYTNEDOHPLFWGC-UHFFFAOYSA-N 380.469 3.901 0 40 GHAB Cc1nc(SCC(=O)Nc2cccc(Cl)c2C)c(C(N)=O)c(C)c1C 29207163 ZVHHYOHBKYGJRQ-UHFFFAOYSA-N 377.897 3.798 0 40 GHAB O=C(Nc1ccc(Br)cc1F)[C@@H]1CC(=O)N(c2ccccc2F)C1 12924429 KVRGWQWKIOYZAG-SNVBAGLBSA-N 395.203 3.719 0 40 GHAB COc1ccc(NC(=O)CN(C)C(=O)c2csc(-c3ccc(C)cc3)n2)cc1 13001189 XVVJKVLKRBPOAS-UHFFFAOYSA-N 395.484 3.838 0 40 GHAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nc(-c3ccc4c(c3)CCC4)cs1)CS2 13009542 PIYWYIYJRQPDEV-OXJNMPFZSA-N 399.541 3.691 0 40 GHAB O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1c(Cl)cccc1Cl 13021136 QDQMJOYCLUZNEI-UHFFFAOYSA-N 396.299 3.717 0 40 GHAB O=C(O)Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 20152054 MZWFLBHVAJOBCJ-UHFFFAOYSA-N 383.256 3.747 0 40 GHAB COCCNc1nnc(SCc2ccc(Br)cc2F)s1 5078494 OPYPBDRAVXWSPF-UHFFFAOYSA-N 378.292 3.790 0 40 GHAB Cc1ccn(-c2ccc(NC(=O)c3ccc(Cn4nc(C)cc4C)o3)cc2)n1 28240155 OPDBUTUQXOFWJZ-UHFFFAOYSA-N 375.432 3.888 0 40 GHAB COc1ccc(CCNc2nccn(Cc3ccc(Cl)cc3)c2=O)cc1OC 9320275 JPSDUDIESQHAKF-UHFFFAOYSA-N 399.878 3.617 0 40 GHAB Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)c1cc(-c2ccccc2F)on1 65592742 CMLMGFMAYULDHQ-UHFFFAOYSA-N 378.363 3.520 0 40 GHAB CCn1nnc2cc(C(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)ccc21 14120212 QTEVTJMIWGXPQZ-UHFFFAOYSA-N 391.353 3.681 0 40 GHAB CC(C)c1ccc(-c2nnc(NC(=O)Cn3nnc4ccccc43)s2)cc1 14129007 RQRSHEAINVODFD-UHFFFAOYSA-N 378.461 3.712 0 40 GHAB CCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@@]12C(=O)N(C)c1ccccc12 6624479 MLUXWFCUSVYHFD-QFIPXVFZSA-N 393.874 3.836 0 40 GHAB biogenic CCn1c(=S)sc2c(=O)n(CC(=O)Nc3cccc(Cl)c3)c(C)nc21 6662785 CVRPPVMQNOAZLG-UHFFFAOYSA-N 394.909 3.609 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(Cc2cccs2)n1C 6787792 FYHOYAXMBYNMTJ-CYBMUJFWSA-N 384.530 3.537 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)c(F)c1 67300107 YRTLXZPYBFLEPW-UHFFFAOYSA-N 388.468 3.792 0 40 GHAB C[C@H]1CCc2c(C(=O)O[C@H](C(=O)N3CCOCC3)c3ccccc3)csc2C1 15514022 JDMWMGJEPZEERD-YWZLYKJASA-N 399.512 3.630 0 40 GHAB COc1ccc(C)cc1-c1csc(NC(=O)[C@@H]2COc3ccccc3O2)n1 15637497 RTVZIRPPCXQWRN-SFHVURJKSA-N 382.441 3.906 0 40 GHAB CCc1ccccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(C)cc1 9237330 MPVLGYSRJPAQKS-RBUKOAKNSA-N 393.516 3.855 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(C)n2C2CC2)c(Br)c1 7617314 YHKJRBACZYYOPB-UHFFFAOYSA-N 381.299 3.723 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 16002071 FGNPRJBUNMNUIC-NRFANRHFSA-N 396.531 3.514 0 40 GHAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 7990383 WNIRIYKMDBVROZ-UHFFFAOYSA-N 382.445 3.806 0 40 GHAB CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)[C@@H]1CCCc2ccccc21 7987937 DRBBYXWFLCGPFK-LJQANCHMSA-N 395.894 3.869 0 40 GHAB C[C@H](NC(=O)CSc1nc(-c2ccncc2)n[nH]1)c1cc2ccccc2o1 9216811 HWTMSSLSGDPEEM-LBPRGKRZSA-N 379.445 3.582 0 40 GHAB O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1nc2ccccc2[nH]1 8132755 FXVXAWZFRFOHCM-UHFFFAOYSA-N 384.848 3.800 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1COc1ccccc1 8132185 ULNQADACNHXULB-UHFFFAOYSA-N 399.450 3.774 0 40 GHAB CSc1nnc(CCCNC(=O)c2cnc(C(C)(C)C)s2)n1CC(C)C 70004137 PTWNLRZGKHXELV-UHFFFAOYSA-N 395.598 3.773 0 40 GHAB COc1cc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc(OC)c1OC 9691619 UKCYRWLTIVQURJ-UHFFFAOYSA-N 384.476 3.951 0 40 GHAB COc1ccc(OCCNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 9742765 HNAYXHJGSZJGBA-UHFFFAOYSA-N 377.444 3.567 0 40 GHAB Cc1nn(C)c(C)c1CCNC(=O)c1c2c(nc3ccccc13)CC[C@H](C)C2 84012188 INCLITQCXHTHKO-AWEZNQCLSA-N 376.504 3.682 0 40 GHAB O=C(COC(=O)Cc1ccccc1Br)NCCC1=CCCCC1 95471772 NFFLPAJHOQCNQP-UHFFFAOYSA-N 380.282 3.542 0 40 GHAB O=C(Nc1c[nH]nc1-c1ccccc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 89847962 APIMYYDBZDVMLQ-KRWDZBQOSA-N 392.434 3.707 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 113941646 NDFIBCLQOMQTBP-CQSZACIVSA-N 378.469 3.742 0 40 GHAB C[C@H]1CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C[C@@H](C)O1 30807198 RUPXHWLLQDMSMP-TXEJJXNPSA-N 395.322 3.751 0 40 GHAB COc1ccc(CCCc2nnc(SCC(=O)NCc3ccccc3)o2)cc1 409012892 JDEPVLAPGOFLNT-UHFFFAOYSA-N 397.500 3.662 0 40 GHAB CCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 408622869 NUYSGVDDXDGHHI-UHFFFAOYSA-N 386.517 3.984 0 40 GHAB CCC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccccc1 217484381 KLGNCAMMBJQWDK-OAHLLOKOSA-N 390.505 3.506 0 40 GHAB Fc1ccc(-c2cccc(CN3CCn4c(nnc4[C@H]4CCCNC4)C3)c2)cc1 72372158 CZMRAWBQHWDQRK-FQEVSTJZSA-N 391.494 3.567 0 40 GHAB O[C@@H](c1nccs1)c1ccccc1N1CCN(Cc2ccccc2F)CC1 72340478 AXRCUDCSAGIHQM-HXUWFJFHSA-N 383.492 3.686 0 40 GHAB O=c1nc2n(c3[nH]ncc13)[C@H](c1ccccc1)[C@H](Sc1ccccc1)CS2 35682021 JEGQPVLJDSGCKY-IAGOWNOFSA-N 392.509 3.976 0 40 GHAB CCc1c(C)sc2nc(NC[C@H](C)O)n3nc(Cc4ccccc4)nc3c12 32097104 IXZVJMIELJAZIH-LBPRGKRZSA-N 381.505 3.593 0 40 GHAB COc1ccccc1CN1CCC[C@@H]([C@H](NC(=O)C(C)C)c2nccs2)C1 72341410 HLSHJRUNUIEOPH-MJGOQNOKSA-N 387.549 3.877 0 40 GHAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1 72353837 RKNQOGWBVLDLSS-IBGZPJMESA-N 390.462 3.930 0 40 GHAB O=C1CCCN1c1ccc(NC(=S)NCCCOC2CCCCC2)cc1 225618063 DUDWMMYLLGKJLL-UHFFFAOYSA-N 375.538 3.839 0 40 GHAB CCCCOc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40312891 NHJMFUDVGLCNLG-JOCHJYFZSA-N 393.443 3.646 0 40 GHAB biogenic CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2C)cc1NC(C)=O 224638791 WKUWZFFRCYQWCO-ZDUSSCGKSA-N 378.519 3.715 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 44847615 GHCARRJDIGTPKQ-HUUCEWRRSA-N 394.924 3.680 0 40 GHAB COc1ccccc1OCCNC(=O)CSCc1c(F)cccc1Cl 223456163 ALWFRPUWYRQENH-UHFFFAOYSA-N 383.872 3.916 0 40 GHAB CC[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1)c1ccc(C)cc1C 222485552 JXOQCKHFFGVSDW-IBGZPJMESA-N 388.533 3.889 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C 224134084 NWBXDQMBRLYMFK-HXUWFJFHSA-N 382.504 3.626 0 40 GHAB CCSc1ccccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 222560978 UMWRCACNVVYBBK-UHFFFAOYSA-N 390.530 3.981 0 40 GHAB Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1N(C)S(C)(=O)=O 222469845 JNNJZTBQCPSPQQ-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1 222730684 MODHDIVVOUCGSC-CYBMUJFWSA-N 395.286 3.536 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 224870249 QACVNCRIMAKQED-GOSISDBHSA-N 384.495 3.929 0 40 GHAB COc1ccc2cc([C@H]3SCC(O)=Nc4c3cnn4C(C)C)c(=O)[nH]c2c1 95474618 QTLWDVOSDHQRDG-QGZVFWFLSA-N 384.461 3.738 0 40 GHAB CCOc1cc([C@@H](N)c2n[nH]c(-c3ccc(C(F)(F)F)cc3)n2)ccc1OC 95534435 GMRYDUBDHSZLRX-MRXNPFEDSA-N 392.381 3.946 0 40 GHAB NC(=O)C[C@]1(COc2ccccc2)CCCN(C(=O)c2cccc(Cl)c2)C1 257234483 GTRKGTGUQJCTBJ-OAQYLSRUSA-N 386.879 3.517 0 40 GHAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCCN(Cc2cscn2)C1 257205311 AYLUVRGJJFEPPS-CYBMUJFWSA-N 386.546 3.834 0 40 GHAB CCc1noc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1 257279671 OHRFTXVFQGVLBM-SHTZXODSSA-N 395.463 3.694 0 40 GHAB CN(C)C(=O)c1sc2nc([C@H]3CCCN3C(=O)OC(C)(C)C)ccc2c1N 257275335 NOXHRMAUMCTHDM-CYBMUJFWSA-N 390.509 3.652 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc([C@H](O)c2cccs2)s1 90613635 DRCNMQGMDWYKAP-BTZGUFSASA-N 399.493 3.950 0 40 GHAB Cc1ccc(CN2CC[C@@H](NC(=O)NCCc3ccc(Cl)s3)C2)cc1 1222990844 RWWATZLEEMRZPH-MRXNPFEDSA-N 377.941 3.826 0 40 GHAB CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1c1ccc(OC)c2ccccc12)n1cnnn1 604418741 VFQZORLQSGDKDK-ZRCAFCQKSA-N 393.491 3.786 0 40 GHAB O=C(NCCc1ccc(Oc2ccc(F)cc2)cc1)N1C[C@H]2CC[C@H]1[C@H](CO)C2 660944139 NOYZQKSZUYBMOU-SPEDKVCISA-N 398.478 3.963 0 40 GHAB COc1ccc(F)cc1[C@@H](C)NC(=O)NC1CCN(CC2CCCC2)CC1 58378568 IUYFGZMLLXWERW-OAHLLOKOSA-N 377.504 3.849 0 40 GHAB Cc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1Br 12918191 SETNOQZPNFIOQL-UHFFFAOYSA-N 389.171 3.577 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)Cc1ccc(Br)cc1 12933094 KNVGPEZGPPDQEJ-WOSRLPQWSA-N 382.298 3.618 0 40 GHAB CCOc1ccc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1 13632268 CYCWSUXQXHIABE-UHFFFAOYSA-N 377.506 3.784 0 40 GHAB CCn1ccnc1CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(C)=O 19578086 JPNNISXEAPIBDR-MQSCRBSSSA-N 380.536 3.662 0 40 GHAB Cn1cc(C(=O)NC2CCCC2)c(CC2CCN(C[C@H]3CC=CCC3)CC2)n1 19756727 PAGWTVWURRNCTO-IBGZPJMESA-N 384.568 3.703 0 40 GHAB COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3ccc(C)cc3C)n2)c1 19928924 YVAWJOJSUQUZCX-UHFFFAOYSA-N 398.488 3.837 0 40 GHAB CCCc1nnc(S/C(=C\c2cc(C)n(-c3cccnc3)c2C)C(=O)O)[nH]1 7342289 WTILEEKEJCNSLW-YBEGLDIGSA-N 383.477 3.778 0 40 GHAB COC(=O)CN1C(=O)S/C(=C\c2c(OC(C)C)ccc3ccccc23)C1=O 6345939 HMPCCWPBDSCQPV-YVLHZVERSA-N 385.441 3.836 0 40 GHAB O=C(CNC(=O)c1ccccc1F)Nc1ccc(-c2cn3ccsc3n2)cc1 9378246 VCAZGUVUBGYYRX-UHFFFAOYSA-N 394.431 3.570 0 40 GHAB CCOc1ccc(-c2noc(CNC(=O)c3cc(Cl)sc3Cl)n2)cn1 238940573 VYFAHRYHVDOBSX-UHFFFAOYSA-N 399.259 3.829 0 40 GHAB CCOc1ccc(N2C[C@@H](NC(=O)Nc3ccccc3SC)CC2=O)cc1 4373685 CSUJPBPANAGTQA-AWEZNQCLSA-N 385.489 3.734 0 40 GHAB CCSc1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)c1 4585796 AXBXLTYDDWUOSZ-UHFFFAOYSA-N 383.429 3.872 0 40 GHAB COc1cc(COc2cccc3ccc(N4CCOCC4)nc23)cc(OC)c1 8769654 BBLMHKUOCDSMMS-UHFFFAOYSA-N 380.444 3.668 0 40 GHAB CCCn1cc(C(=O)NC2CCCCC2)c2nn(-c3ccccc3)c(=O)c-2c1 9661504 OXAAZHFFSSWMEX-UHFFFAOYSA-N 378.476 3.611 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)c(C)c1C 16975869 HSZYWQJGUAEEER-UHFFFAOYSA-N 386.517 3.939 0 40 GHAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1NCc1ccc(Cl)cc1 17297320 SLCQXJMLUMGBBY-UHFFFAOYSA-N 397.862 3.983 0 40 GHAB COc1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)c1 21882494 YRIRYKBPXQHYPS-UHFFFAOYSA-N 397.500 3.833 0 40 GHAB COc1ccc(-c2nn3c(NC[C@H]4CCCO4)cc(C)nc3c2C)cc1OC 23118901 VIWXKFAPHUBOED-MRXNPFEDSA-N 382.464 3.621 0 40 GHAB COc1cccc(C(=O)N(CCn2cccn2)c2nc3c(F)cccc3s2)c1 23144859 LUUCKAHFEVIQLS-UHFFFAOYSA-N 396.447 3.988 0 40 GHAB CN1c2ccccc2N(C2CCN(Cc3cccc(Cl)c3)CC2)S1(=O)=O 575414205 QGAMKVACUZUZEC-UHFFFAOYSA-N 391.924 3.506 0 40 GHAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148960 NFSODZZIBKIKBV-AWEZNQCLSA-N 381.856 3.592 0 40 GHAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3ncc(-c4ccccc4)o3)nc21 206586636 RLCXGOWBEAPHTF-GFCCVEGCSA-N 383.429 3.643 0 40 GHAB O=S(=O)(NCC[C@H](CCO)c1ccsc1)c1ccc(C(F)(F)F)cc1 575606262 FVFBVNSHODNUQO-GFCCVEGCSA-N 393.452 3.602 0 40 GHAB Cc1cc(Cl)ccc1Nc1nc(N2C[C@@H](C)O[C@H](C)C2)nc2nccnc12 13010875 QQNOWUFXWWCCPA-CHWSQXEVSA-N 384.871 3.739 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCN[C@]31C(=O)N(CCC(C)C)c2ccccc21 20064236 LKZLOLOHXHJTQP-DEOSSOPVSA-N 389.499 3.959 0 40 GHAB biogenic CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C(=O)N1CCOCC1 40104695 CNJNCJHALRLRFX-PKOBYXMFSA-N 387.524 3.885 0 40 GHAB O[C@@H](CSc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 20384902 XDDLHMKHKYUMKX-GOSISDBHSA-N 396.478 3.981 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1C(=O)N[C@@]2(c3ccccc3)C[C@H]1c1ccccc1O2 100748996 FTBQIMXPMGDEID-LEEZEASISA-N 384.435 3.790 0 40 GHAB biogenic O=S(=O)(c1ccccc1)N1C[C@H]2c3ccccc3CCN2[C@@H]1c1ccccc1 20494215 KMUAPPVLJUNPNB-GOTSBHOMSA-N 390.508 3.989 0 40 GHAB CC(=O)c1ccccc1N/C=C/c1nnnn1-c1ccc(Br)cc1 101087067 HKBKGWXFCUJTPC-ZHACJKMWSA-N 384.237 3.710 0 40 GHAB C[C@@H](NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1Cl 32652232 FAYNQOAUZGAOAU-QPGLYAHGSA-N 397.950 3.848 0 40 GHAB CS[C@H]1CC[C@@H](N(C)C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C1 78934044 RXOGAPUHVVBRAB-UXHICEINSA-N 388.577 3.600 0 40 GHAB C[C@@H]1CCc2sc(C(=O)OCC(=O)NC(=O)Nc3ccccc3F)cc2C1 4885303 YGVGSSLOXAWVAF-LLVKDONJSA-N 390.436 3.517 0 40 GHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)N1CCCCC1 7655032 SDCBTOWXSVFYCI-UHFFFAOYSA-N 380.803 3.612 0 40 GHAB CCOc1ccc(-c2cc(C(=O)NCCCN(C)C)c3ccccc3n2)cc1 2767334 OYFQAUNFCSZWKF-UHFFFAOYSA-N 377.488 3.982 0 40 GHAB COCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cn1 109319627 YLHQQSIQUZNOFL-UHFFFAOYSA-N 384.476 3.956 0 40 GHAB C[C@@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)OCC(N)=O)c2C1 104343543 WRERGYHCBIBLOB-WIZMWCRPSA-N 386.451 4.000 0 40 GHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)NCc2nc3ccccc3s2)CC1 42816941 DTSRLCCBCVBWEE-UHFFFAOYSA-N 395.484 3.806 0 40 GHAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1nc(-c2ccc3c(c2)CCO3)cs1 24774472 NURUFQKKEHAWPY-SFHVURJKSA-N 392.436 3.985 0 40 GHAB COc1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc(OC)c1OC 8673464 WVNOPSKKWQVCKP-UHFFFAOYSA-N 396.443 3.873 0 40 GHAB Cc1ccc(-c2nc(CC(=O)NC[C@@H]3COc4ccccc4O3)cs2)cc1 25055712 HHSVODXOUALMSQ-QGZVFWFLSA-N 380.469 3.617 0 40 GHAB Cc1ccc(C(=O)Nc2ccccn2)cc1S(=O)(=O)Nc1ccc(F)cc1 12537387 DMDQDRUXWGXGGH-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)COc1cc(Cl)ccc1Cl 25053737 QAJDZKIALOKEAM-UHFFFAOYSA-N 378.259 3.847 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(Cl)cc1 12548224 KQKRKVRIAIFMNN-IBGZPJMESA-N 391.862 3.983 0 40 GHAB O=C(C[C@H]1Oc2ccccc2NC1=O)N[C@@H](Cc1ccccc1)c1ccccc1 25623325 JJGGLUUCCOQGDN-RBBKRZOGSA-N 386.451 3.876 0 40 GHAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc2c(O)[nH]c(=S)nc2c1 47932749 SBGRKJCRNILYCZ-UHFFFAOYSA-N 377.372 3.529 0 40 GHAB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1cccc(OC(C)C)c1 59513568 OGSNNLGPBFEGQV-UHFFFAOYSA-N 386.502 3.914 0 40 GHAB CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCOC2)c2c[nH]c3ccccc23)cc1 58208874 VSFUKRVDFFRJBG-YLJYHZDGSA-N 377.488 3.519 0 40 GHAB O=C(Cn1nnc2ccccc21)Nc1ccc(N2CCCCC2)c2ccncc12 12631981 NFHCDUDTARJJSD-UHFFFAOYSA-N 386.459 3.609 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 48252316 GMJFQZNFIOHBQV-OAHLLOKOSA-N 383.835 3.642 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(Br)c1)c1ccccc1 20104150 BHNWXEBOEUWVAK-HNNXBMFYSA-N 384.295 3.887 0 40 GHAB CC(C)(C)OC(=O)NCC(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2443480 KWNMWEJAYIOTJH-UHFFFAOYSA-N 395.411 3.890 0 40 GHAB biogenic Clc1cccc(-c2nnn(-c3nc(-c4cccnc4)nc4ccccc34)n2)c1 12793011 UYKXGLMLDGLVGT-UHFFFAOYSA-N 385.818 3.988 0 40 GHAB C[C@@H]1c2cccn2CCN1C[C@@H](O)COc1ccc(C(=O)c2ccccc2)cc1 12777670 QXCAXSSGNYCGMS-WIYYLYMNSA-N 390.483 3.536 0 40 GHAB O=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(CO)cc1 3531555 UCWPGQDRQLZYAB-FQEVSTJZSA-N 379.387 3.855 0 40 GHAB CC[C@H](C)N1CCC(=O)N(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 13020349 IFJIVYUYNKVZEJ-PXNSSMCTSA-N 396.487 3.546 0 40 GHAB O=S(=O)(c1ccc(Cl)s1)N1CCN(c2nc3ccccc3s2)CC1 13003328 CTNKXGMTOZLTDA-UHFFFAOYSA-N 399.950 3.522 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 22273755 OIVKKWONXQQZQZ-UHFFFAOYSA-N 382.485 3.861 0 40 GHAB CCn1c(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1ccco1 8709303 GERANRZBWRFQIN-INIZCTEOSA-N 386.452 3.809 0 40 GHAB CC1(C)Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)NC3CCCCC3)cc2O1 65476665 WLFXYDCJLIWAJD-MRXNPFEDSA-N 387.480 3.639 0 40 GHAB O=C(CN1CC=C(c2c[nH]c3ccccc23)CC1)Nc1cccc2nsnc12 19079678 VTFZPJGWZPTOHR-UHFFFAOYSA-N 389.484 3.900 0 40 GHAB CC(C)(C)C(=O)Nc1ccc(C(=O)CSc2nncn2Cc2ccco2)cc1 14226412 RZOYXUIDQZQBCQ-UHFFFAOYSA-N 398.488 3.879 0 40 GHAB O=C(CCCOc1ccc(Cl)cc1Cl)N1N=CC[C@@]1(O)C(F)(F)F 5447070 CWSLLAKHWDPTDZ-CYBMUJFWSA-N 385.169 3.621 0 40 GHAB CCOC[C@H]1CCCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C1 70929982 OLODTXFCFXVFAK-AWEZNQCLSA-N 398.425 3.721 0 40 GHAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc(=O)[nH]c2ccccc12 14604326 STNKLRITFDADMY-UHFFFAOYSA-N 375.350 3.865 0 40 GHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)c1 4739885 VZFFRLIRGWJZSQ-UHFFFAOYSA-N 391.449 3.579 0 40 GHAB CCN(CC)C(=O)c1ccc(OCc2cc(=O)[nH]c3ccccc23)c(OC)c1 15108320 OAOQYFFLOMAGHC-UHFFFAOYSA-N 380.444 3.598 0 40 GHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)O[C@@H](C)C(=O)Nc1cccnc1Cl 7479758 JMPOJVUGPXAULK-NSHDSACASA-N 399.278 3.733 0 40 GHAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 7649290 AZCMRURJXCFWAJ-SFHVURJKSA-N 382.460 3.637 0 40 GHAB COc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccccc3)n2)cc1 7640978 AZIVUUVDQVSHCG-UHFFFAOYSA-N 381.457 3.577 0 40 GHAB CCn1c(SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)nnc1C1CC1 7618535 COHDWYRZEBWUTO-UHFFFAOYSA-N 385.493 3.854 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)COc2cccc(C(F)(F)F)c2)cc1 7794613 HBBQUEDOXHULHY-ZDUSSCGKSA-N 381.350 3.963 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)OCC(=O)c2cc(C)n(C)c2C)no1 7720933 MHAMLAQHRKNFLV-UHFFFAOYSA-N 399.472 3.665 0 40 GHAB O=C(NCc1ccccc1F)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7808243 GFFCUDVUSXPBKK-UHFFFAOYSA-N 379.435 3.582 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)c1C 7904814 AYEYYKLRXCRRKZ-LLVKDONJSA-N 388.493 3.585 0 40 GHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1C 9227790 XUCCSCGATUBYRA-UHFFFAOYSA-N 380.897 3.897 0 40 GHAB Cc1noc(-c2ccccc2)c1C(=O)NCC1(N2CCSCC2)CCCC1 96011177 LBAOFISUIHCCBG-UHFFFAOYSA-N 385.533 3.741 0 40 GHAB CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2ccccc21 20738510 CMSVVOHBRGSGCY-FQEVSTJZSA-N 378.819 3.780 0 40 GHAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc(-n3cnnn3)cc2)no1 8270302 IXCRBDSIHGFRIM-UHFFFAOYSA-N 392.444 3.503 0 40 GHAB CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nnc1-c1ccco1 8232059 FBQYDUPKBAISIM-UHFFFAOYSA-N 386.481 3.600 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 8245913 XLWNCWLGDDLECC-ZDUSSCGKSA-N 378.806 3.648 0 40 GHAB CC[C@](C)(NC(=O)c1ccccc1)c1nc(-c2ccc(O)c(C(N)=O)c2)cs1 72294565 PJELNIPAECTBLC-NRFANRHFSA-N 395.484 3.670 0 40 GHAB NC(=O)c1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cn2)c1 72063693 IWLAFFBBUWWKEV-RBUKOAKNSA-N 391.402 3.854 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c(Br)c1 84131104 VRVXGEFYRATOOA-GOSISDBHSA-N 389.293 3.597 0 40 GHAB C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1ccccc1OC(F)F 95462683 JOSYNDLKTXYUFD-BBFKWACYSA-N 396.459 3.703 0 40 GHAB O=C(c1cc(Cl)ccc1F)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211865 BTVRYJGJSPLFJL-UHFFFAOYSA-N 390.871 3.893 0 40 GHAB O=C(CNC1C2CC3CC(C2)CC1C3)Nc1cc2c(cc1Cl)OCCCO2 95941205 FPCLQSGCVCCNAF-UHFFFAOYSA-N 390.911 3.854 0 40 GHAB Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)CS(=O)(=O)C(C)(C)C 95981692 DQIYFQZVNKOQFG-UHFFFAOYSA-N 393.480 3.865 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(C)C)ccc2Cl)cc1 409381812 NPYAKRRRQGCIFN-UHFFFAOYSA-N 380.897 3.835 0 40 GHAB Cc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1Cc1ccco1 35289840 LIEQFALVZFKUHP-UHFFFAOYSA-N 385.474 3.568 0 40 GHAB CC(C)CN(C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CC1 512835184 UDVLDLZBUQLQDC-MRXNPFEDSA-N 399.413 3.521 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1OC 408585970 LVASAGZHVYSIPL-UHFFFAOYSA-N 384.841 3.718 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 32929643 IWBUFLDBKHFUMX-TXEJJXNPSA-N 378.321 3.698 0 40 GHAB O=C(Cc1ccc2c(c1)OCCO2)NCCc1nc2cc(Cl)ccc2s1 531512059 AQGAITPIDMUWOM-UHFFFAOYSA-N 388.876 3.622 0 40 GHAB COc1ccc(Br)c(CC(=O)N[C@@H]2CCc3ccc(F)cc32)c1 531772957 YQRHXEOXBYNSQJ-QGZVFWFLSA-N 378.241 3.943 0 40 GHAB Cc1cccc(NC(=O)Cn2c(=O)nc(-c3cccs3)c3nc(C)sc32)c1 32615816 AYNGOQDPTSJWTM-UHFFFAOYSA-N 396.497 3.837 0 40 GHAB O[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNCc1ccccc1 77262862 ZVTHGSWVYBXBNF-QNWVGRARSA-N 378.472 3.582 0 40 GHAB biogenic,in-vitro CC[C@H](C)[C@H](C(=O)N1CCC[C@@H]1c1ccc(OC)c2ccccc12)n1cnnn1 1565520530 VFQZORLQSGDKDK-NYSBEXSLSA-N 393.491 3.786 0 40 GHAB CCCC(=O)N1CCC[C@H](c2nccnc2Oc2ccc(NC(C)=O)cc2)C1 72361908 VRUDITIHBIIRIH-INIZCTEOSA-N 382.464 3.733 0 40 GHAB O=C(NCCCc1ccccc1)c1ccccc1-n1cnc2ccccc2c1=O 40266741 NIISVPCDAVDMRG-UHFFFAOYSA-N 383.451 3.748 0 40 GHAB O=C(NCCC(=O)N1CCCc2ccccc21)c1ccccc1C(F)(F)F 40122558 RNJMYTDJXRPXDN-UHFFFAOYSA-N 376.378 3.805 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 225457435 RZDJAPAMIJYZRG-PMACEKPBSA-N 380.532 3.912 0 40 GHAB COc1ccc(/C=C/C(=O)NCCc2ccc(Cl)cc2)c(OC)c1OC 223450450 LQLNGXGXPBKQMT-YRNVUSSQSA-N 375.852 3.738 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccccc3C)ccc21 225734773 GEXJMYNLKDMYFM-CQSZACIVSA-N 390.530 3.821 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 222627536 ANMHCXKNFUJDHR-CQSZACIVSA-N 376.859 3.575 0 40 GHAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NC[C@@H]3CCCO3)o2)cc1 224907198 LJIVMODIWUQNTQ-KRWDZBQOSA-N 378.428 3.926 0 40 GHAB CCn1cc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3N2)c(C)n1 227173118 GOBUXJVGCLJKRQ-QGZVFWFLSA-N 378.432 3.856 0 40 GHAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2)c1)N1CCc2ccccc2C1 223916998 YXMOTWMPGQREOF-UHFFFAOYSA-N 392.480 3.686 0 40 GHAB COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1 40120727 GKOBNGDOQHYOSU-SFHVURJKSA-N 384.432 3.859 0 40 GHAB O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)n[nH]1 225562183 AIANMWBXJISTDK-INIZCTEOSA-N 396.466 3.863 0 40 GHAB C[C@@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NCc3ccco3)n2)C1 225913524 PLKWZUZXFUWIQY-LLVKDONJSA-N 399.442 3.811 0 40 GHAB CCOC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 222985798 KSTOCVQCICVSAH-UHFFFAOYSA-N 379.865 3.736 0 40 GHAB COc1cccc(OCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 224214291 IGWKCEZMKVOMNT-UHFFFAOYSA-N 390.288 3.500 0 40 GHAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NC[C@@H]1COc2ccccc2O1 225279943 RWVLVUPRHWOOCF-WBVHZDCISA-N 375.852 3.762 0 40 GHAB COc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)c1 136533698 WWRAFPXBYVUGRW-KDURUIRLSA-N 378.428 3.627 0 40 GHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223888085 DIUXZAUOQUGACY-LPHOPBHVSA-N 389.517 3.742 0 40 GHAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223965420 ARMABDOYHZUBGT-PJIJBLCYSA-N 388.464 3.545 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)NCCNc2ncc(Cl)cc2Cl)c1 40118633 WQHARMXPJWZOAA-ZZXKWVIFSA-N 396.274 3.647 0 40 GHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1C1CCCC1 223573704 XCWVXUGOSVXWQB-PMACEKPBSA-N 384.549 3.580 0 40 GHAB O=C(Cc1nsc2ccccc12)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 577948476 HDOKRSUMXAOHMP-LLVKDONJSA-N 394.422 3.987 0 40 GHAB O[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNCc1ccc(F)cc1 96268982 QFCZTNIIFBNLBM-QNWVGRARSA-N 396.462 3.722 0 40 GHAB biogenic,in-vitro O[C@@H]1CCN(c2ccc(F)cc2)C[C@H]1[C@H](Nc1ccccc1)C1CCOCC1 257250190 JLLBPRBLPIEHSP-DNVJHFABSA-N 384.495 3.920 0 40 GHAB C[C@H](CNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)Cn1cccn1 613967606 VFGRRQKJXJZBPS-GOSISDBHSA-N 385.471 3.802 0 40 GHAB COc1cc2c(cc1OC)[C@H](NC(=O)Cc1csc(-c3ccccn3)n1)CC2 604419641 PTDBQOLPWIKTSQ-MRXNPFEDSA-N 395.484 3.569 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N2CCCC[C@H]2CCO3)cc1F 96103658 QROKVVLWVMHZIH-INIZCTEOSA-N 398.434 3.864 0 40 GHAB Cc1ccsc1CCC(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390830105 ISRYGIGOKLPIFN-SFHVURJKSA-N 395.521 3.517 0 40 GHAB Cc1cccc(C(=O)N2CC[C@]3(C2)c2cccn2-c2ncccc2N3CC2CC2)n1 585106807 INVZJIVZCZTDQD-DEOSSOPVSA-N 399.498 3.547 0 40 GHAB Cc1ccnc2nc(C(=O)N[C@@H](Cc3ccccc3Cl)c3ccccc3)nn12 62910465 REQXSNHNIHLNFO-SFHVURJKSA-N 391.862 3.800 0 40 GHAB O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc2c(s1)-c1ccccc1OC2 95969969 YJKNNWLBASPXLI-UHFFFAOYSA-N 391.448 3.660 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 3283840 OQIFQHGORZWYOE-LFYBBSHMSA-N 391.370 3.882 0 40 GHAB O=C1CCCCN1c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 5330047 XPABMKNNUYFXTM-UHFFFAOYSA-N 384.501 3.883 0 40 GHAB Cc1oc(-c2ccc(F)cc2)nc1C(=O)NCc1nc(-c2ccccc2)no1 12202754 AHTQDRVWFNFMQM-UHFFFAOYSA-N 378.363 3.769 0 40 GHAB CCC(CC)C(=O)N[C@H]1CC(C)(C)Cc2nc(N3C[C@H](C)O[C@H](C)C3)ncc21 12241883 QAJSTZKCKDPPAO-DAYGRLMNSA-N 388.556 3.656 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716053 ITBARCVIOLYFLD-FXAWDEMLSA-N 388.533 3.725 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(OS(=O)(=O)c2ccccc2)cc1 14100449 QQXBMMSZUGNLPA-UHFFFAOYSA-N 383.425 3.715 0 40 GHAB O=C(/C=C/c1cccc(Br)c1)Nc1cccc(C(=O)NC2CC2)c1 16172968 UCHXPPALCJKCTK-JXMROGBWSA-N 385.261 3.993 0 40 GHAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc2ccccc2oc1=O 16524010 KCWPFDNSVQSQAL-UHFFFAOYSA-N 382.379 3.779 0 40 GHAB Cc1nc(C)n(C[C@H](C)C(=O)Nc2nc(-c3ccc4c(c3)CCCO4)cs2)n1 19285960 MCRNCPQUGRLTKQ-LBPRGKRZSA-N 397.504 3.618 0 40 GHAB Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)C2CCCC2)c1C 19558350 JDVGDEQROVNHDW-KRWDZBQOSA-N 383.496 3.668 0 40 GHAB CCc1cc(C(=O)N[C@H](C)c2nc(-c3cccc(C)c3)no2)c2c(C)noc2n1 19663344 HVCCGKXSOCHHOC-CYBMUJFWSA-N 391.431 3.943 0 40 GHAB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Cl 8477371 JRRUJVOEWUCQPA-JXCQQFQQSA-N 390.867 3.922 0 40 GHAB COc1cc(NC(=O)c2cccc(Br)c2)cc2sc(N)nc12 226309941 QXTMBMVELFJFSU-UHFFFAOYSA-N 378.251 3.902 0 40 GHAB Cc1ccc(-c2cc(NC(=O)CSc3nnc4n3CCCCC4)on2)cc1 6879955 BPOGTGWOHHRWBC-UHFFFAOYSA-N 383.477 3.699 0 40 GHAB CCCOc1ccc(CCC(=O)N[C@@H](Cn2nccn2)c2ccccc2)cc1 245015189 LPWQOFOZIHJPHA-NRFANRHFSA-N 378.476 3.557 0 40 GHAB Cn1nc(-c2cccnc2)cc1CNC(=O)Nc1ccc(C(F)(F)F)cc1 245070554 QOTXYCQGBXCZHG-UHFFFAOYSA-N 375.354 3.823 0 40 GHAB CN1CCCC[C@H]1CNC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1 2037845743 JHJZLISRJDOUGM-SFHVURJKSA-N 386.515 3.582 0 40 GHAB Cc1ccc2sc(N3CCN(c4nc(O)cc(C5CC5)n4)CC3)nc2c1C 2087045949 DUXWBYXPZACHPF-UHFFFAOYSA-N 381.505 3.613 0 40 GHAB COc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)cc1 4279464 ITAVIUIRTCANGN-UHFFFAOYSA-N 377.223 3.884 0 40 GHAB COc1cccc(C(=O)N(c2ccc(C(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)c1 5081636 PSSTUVJDNMUSLK-IBGZPJMESA-N 385.485 3.776 0 40 GHAB COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)C3CC3)n2)cc1OC 12442226 BDFCYJAITQXKLP-UHFFFAOYSA-N 384.461 3.670 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2c(C)cccc2C)CC1 23211985 WADYKNHPPLXEEB-HXUWFJFHSA-N 388.939 3.827 0 40 GHAB COc1ccc(CCNC(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1 211082973 QGGQCVJXPYJCLD-UHFFFAOYSA-N 384.457 3.623 0 40 GHAB CCOc1ccccc1C(=O)Nc1nn(C)c2c1[C@@H](c1cccs1)CC(=O)N2 36705640 FQFBZYFLSZFOFV-CYBMUJFWSA-N 396.472 3.607 0 40 GHAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(Cl)c(C(F)(F)F)c1 5266678 WVQGJRHIBMEEFC-UHFFFAOYSA-N 381.741 3.777 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)NCc2ccccc2Cl)cs1 40128483 NLSFMXHJGFTPPW-UHFFFAOYSA-N 389.864 3.809 0 40 GHAB Cc1nc(-c2ccc(CCNC(=O)CN3CCCCCCC3=O)cc2)cs1 40131908 GNGZSCOEPVCDER-UHFFFAOYSA-N 385.533 3.570 0 40 GHAB COc1cc(OC)cc(-c2nnc3sc(-c4cc(C(C)(C)C)[nH]n4)nn23)c1 40287287 LCKVPXPQLGVFHA-UHFFFAOYSA-N 384.465 3.558 0 40 GHAB O=C1S/C(=C/c2ccccc2F)C(=O)N1CN1CCN(c2ccccc2)CC1 20266114 IQUUAHDJMNZWPR-XMHGGMMESA-N 397.475 3.642 0 40 GHAB O=C1[C@H]2N=NN(Cc3c(F)cccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 101168122 DNBUATFXBNGHIX-LSDHHAIUSA-N 393.205 3.626 0 40 GHAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(CCCN(C)C)C3=O 8549462 FMASBJQVZZYFBT-NRFANRHFSA-N 390.483 3.907 0 40 GHAB CCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nnc1C(C)C 1364259 FPHMMUQCLGLQPE-UHFFFAOYSA-N 375.498 3.501 0 40 GHAB CCN(CC)C[C@@H]1CCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 78950488 CRBJTMKFGZDLFD-SFTDATJTSA-N 393.575 3.944 0 40 GHAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 3352238 GIWIRCYSTZGUCR-UHFFFAOYSA-N 381.745 3.651 0 40 GHAB Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 102617832 BLICVOYKBNDTER-XAMWDVODSA-N 375.424 3.750 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c(c1=O)S[C@@H](C)C2 4107876 PLGOTJQIJAVQJX-ZDUSSCGKSA-N 389.546 3.648 0 40 GHAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 32932354 PEEJYJXPNAYANH-UHFFFAOYSA-N 385.424 3.510 0 40 GHAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1cccc2c1CCCC2 32906547 NCLMVMKPDMJUKX-UHFFFAOYSA-N 384.501 3.567 0 40 GHAB COC1CCN(c2ccc(NC(=O)c3cccnc3O)cc2C(F)(F)F)CC1 102763413 DDWFOSNONDSEMO-UHFFFAOYSA-N 395.381 3.674 0 40 GHAB O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1Cc1ccccc1 2713054 SKGIDBOXXPHBHO-UHFFFAOYSA-N 376.843 3.913 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 683060 HYVFILDAORCWHI-KRWDZBQOSA-N 379.460 3.507 0 40 GHAB CC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2cc(Cl)ccc2C)CC1 57669650 BCVQJQQTPWRCME-INIZCTEOSA-N 376.936 3.663 0 40 GHAB Cc1cc(C)c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 8333456 KRMAREOFLNVWER-AWEZNQCLSA-N 380.897 3.571 0 40 GHAB CCOc1ccc(CN(C)C(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1OC 23038585 DVWNGTQJVYSLAM-HXUWFJFHSA-N 399.487 3.924 0 40 GHAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccc(Br)cc32)c(C)c1 990112 JXXORLBRLRDCCX-IBGZPJMESA-N 388.261 3.503 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(SCC)nn2[C@H]1c1ccc(Cl)cc1 938860 IXFLEDXFINIIJX-AWEZNQCLSA-N 378.885 3.896 0 40 GHAB Cc1nc(COc2ccc(C(=O)N3CCC(c4ccc(O)cc4)CC3)cc2)no1 55234408 KUNYWCILCXWKTO-UHFFFAOYSA-N 393.443 3.682 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)c1 24925386 MRSSGOAWRIEHBA-OAHLLOKOSA-N 386.448 3.737 0 40 GHAB CN(C)C1(CNC(=O)Nc2cccc(COC[C@@H]3CCCCO3)c2)CCCC1 47627486 JQTUWJALNWVETJ-FQEVSTJZSA-N 389.540 3.768 0 40 GHAB COCCN1C(=O)c2ccccc2N[C@@H]1c1cnn(Cc2ccccc2Cl)c1 25310848 JFYJYKVTTINHMA-FQEVSTJZSA-N 396.878 3.798 0 40 GHAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1cccc(N2CCOC2=O)c1 56964329 YBJKATNYMHFKQN-UHFFFAOYSA-N 395.390 3.676 0 40 GHAB NC(=O)[C@H](NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 26221131 KVKZLDCECNRUHI-HSZRJFAPSA-N 382.467 3.856 0 40 GHAB CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1 2091516 GFOFVMIXSZUABT-MRXNPFEDSA-N 389.448 3.954 0 40 GHAB biogenic COc1cc(OC)c(NC(=O)COc2cccc3c2CCC3=O)cc1Cl 10198237 JUWAXZIYOYRRMN-UHFFFAOYSA-N 375.808 3.504 0 40 GHAB CCc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(C)c(C)c2)CC1 57486173 LOTHGWKJFTWCSE-UHFFFAOYSA-N 393.531 3.571 0 40 GHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C2SCCS2)c1 12630736 CEOVFYHFVDEOKZ-UHFFFAOYSA-N 395.527 3.973 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)[C@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21 100124653 ORISSLNKJICDTB-DPRHNHAJSA-N 391.467 3.933 0 40 GHAB CC(C)c1ccc(NC(=O)COCC(=O)NCCc2ccc(Cl)cc2)cc1 12631078 RJPYBVQMUJAGRJ-UHFFFAOYSA-N 388.895 3.777 0 40 GHAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 63146532 NVRRDVKZLZKVRE-UHFFFAOYSA-N 378.208 3.720 0 40 GHAB COc1cc(CC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc(OC)c1OC 10964549 CZVIOSKSMKYCDT-OAHLLOKOSA-N 391.464 3.747 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cc(F)cc(F)c1 12771421 MRXGVSSVUROQLT-GOSISDBHSA-N 388.414 3.902 0 40 GHAB COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCCC4)c3n2)c1 2441451 XLJSXYMQHNQSTO-UHFFFAOYSA-N 390.365 3.660 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H](C)c1ccc(F)cc1F 12767594 GFBICQPLSYIGGM-LBPRGKRZSA-N 383.398 3.827 0 40 GHAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1 12753373 KPXONBARAHUPKJ-GOSISDBHSA-N 379.287 3.797 0 40 GHAB Cc1cccc(NC(=O)CSCC(=O)N2CCC[C@@H]2Cc2ccccc2)c1 36754649 VOJYEPVJIKGRQB-HXUWFJFHSA-N 382.529 3.900 0 40 GHAB CCCCCOc1ccc(C(=O)CCC(=O)O[C@H](C(N)=O)c2ccccc2)cc1 11478309 OMNVLPVAPPOTTE-QFIPXVFZSA-N 397.471 3.988 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)cc1 11552095 ZUUGLNREPATKST-QFBILLFUSA-N 388.508 3.586 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)COc2cccc(Cl)c2Cl)c1C 3417821 GDSLRRRNLZAPAC-UHFFFAOYSA-N 381.259 3.744 0 40 GHAB COc1ccc(-c2nc(NC(=O)[C@H]3COc4ccccc4O3)sc2C)cc1 3554328 PIDSFYXOHTXWMM-QGZVFWFLSA-N 382.441 3.906 0 40 GHAB CC(C)NC(=O)Nc1ccc(CNCc2cnn(Cc3ccccc3)c2)cc1 48784953 DBDABJMWBGMGGF-UHFFFAOYSA-N 377.492 3.751 0 40 GHAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CNc1ccccc1 13477328 IVZXDEWHZPGXHY-MYNGYRLFSA-N 380.447 3.948 0 40 GHAB CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 20484048 FGXFXNZUYURWPZ-UHFFFAOYSA-N 384.295 3.715 0 40 GHAB COC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccc(OC)cc3)C2=O)cc1 4292087 SLDXDVUSOCHUIN-BOPFTXTBSA-N 383.425 3.718 0 40 GHAB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(F)c(F)c1 6287785 OZLCHCVFDJZSIB-UHFFFAOYSA-N 380.394 3.852 0 40 GHAB CCCCCCNC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13942599 CNNIPYNFZZSUTB-INIZCTEOSA-N 389.927 3.909 0 40 GHAB COc1cc2c(cc1OC)-c1cc(NCCC3=CCCCC3)nc(=O)n1CC2 5215927 QDHVLJHPCHBZFB-UHFFFAOYSA-N 381.476 3.786 0 40 GHAB biogenic Cc1noc([C@H](C)NC(=O)COc2ccc3cc(Br)ccc3c2)n1 65475921 YWBBBEHMNURJOS-JTQLQIEISA-N 390.237 3.550 0 40 GHAB CCCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccncc1 19297992 LBGDYGMEIKLOIF-KRWDZBQOSA-N 381.505 3.672 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N2CCc3cc4c(cc3[C@H]2C)OCCCO4)c1 5450967 QVYYJTSQUPAIOH-MRXNPFEDSA-N 387.501 3.773 0 40 GHAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)[C@H]4CCCO4)cc3)sc2c1 6566346 PGUUGJCKKBMAIB-QGZVFWFLSA-N 396.468 3.932 0 40 GHAB CCOC(=O)c1cc2cc(Br)cc(Br)c2oc1=N 4770151 LXDZVRLJGMAQSJ-UHFFFAOYSA-N 375.016 3.614 0 40 GHAB CCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc(Cl)cc1 6759196 BZDMOWNLXVNEIA-UHFFFAOYSA-N 391.880 3.909 0 40 GHAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnc2nc(-c3ccncc3)nn12 6760580 TZCCLXSXDGGRMY-UHFFFAOYSA-N 398.348 3.766 0 40 GHAB O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1cc(F)ccc1F 6888731 OHWGYIGZPVGVHV-UHFFFAOYSA-N 390.169 3.832 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CCNC(=O)Nc1ccccc1 5804089 RQJIJLINRVKCSL-OAHLLOKOSA-N 393.443 3.803 0 40 GHAB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 15350379 QENSIGLAJLQUMI-HKUYNNGSSA-N 380.488 3.956 0 40 GHAB Cc1cc(N)nc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 7047997 JJHZELLRTXIROY-UHFFFAOYSA-N 376.791 3.770 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2SC(F)F)c1 7055917 XCADFHPVPRDKKO-UHFFFAOYSA-N 375.418 3.819 0 40 GHAB COc1cccc(NC(=O)[C@@H](NCc2ccc3c(c2)OCO3)c2ccccc2)c1 7377891 HLVIICAZUIDYRS-QFIPXVFZSA-N 390.439 3.894 0 40 GHAB CCN(CC(=O)Nc1ccccc1OC)Cc1cc(Cl)cc2c1OCOC2 7360828 WROBLVGJDFHANF-UHFFFAOYSA-N 390.867 3.676 0 40 GHAB O=C(CN1CCc2ccccc21)Nc1ccccc1C(=O)NCc1ccccc1 7348687 ZESCKJKMFOKQBH-UHFFFAOYSA-N 385.467 3.618 0 40 GHAB Cc1ccccc1CNC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 7546596 RTUAGQZTRCWNCT-UHFFFAOYSA-N 398.557 3.982 0 40 GHAB COc1ccc(OC)c(C(=O)COC(=O)c2cc(F)ccc2Br)c1 7867645 SOONEMDWFPJQIT-UHFFFAOYSA-N 397.196 3.645 0 40 GHAB CCOc1ncccc1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 7987877 CUQCYWLHBLMMAX-UHFFFAOYSA-N 394.456 3.741 0 40 GHAB O=C(Nc1ccccc1)C1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 7954991 XJWXSDUIISFKNF-KRWDZBQOSA-N 398.890 3.768 0 40 GHAB O=C(COc1ccc(Oc2ccccc2)cc1)NCc1cn2ccsc2n1 8311091 YZUAVUBHCQKHHR-UHFFFAOYSA-N 379.441 3.883 0 40 GHAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)n1 69442923 OXFNYXSLVCGDIX-UHFFFAOYSA-N 391.475 3.827 0 40 GHAB O=C1c2ccccc2N[C@H](c2cnn(Cc3ccccc3)c2)N1C[C@H]1CCCO1 9471077 YIQVQSPDVGNSDQ-KNQAVFIVSA-N 388.471 3.677 0 40 GHAB COCCNc1nnc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)s1 69522303 FKBMIZBEDIGIRC-ZDUSSCGKSA-N 380.539 3.641 0 40 GHAB Cc1sc2ncnc(N[C@@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)c2c1C 9534021 DYMARAKOTIYREI-LBPRGKRZSA-N 398.488 3.909 0 40 GHAB COC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)nc1C 84064485 HMLZOCNOXFEXAK-GHMZBOCLSA-N 384.379 3.999 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(F)c2)cc1 20024167 DJESNEPNRHEVLQ-UHFFFAOYSA-N 396.459 3.613 0 40 GHAB Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2cnc[nH]2)C3)cc1 95955952 NQTUXVWSXCYRQL-UHFFFAOYSA-N 375.432 3.561 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2cc(C)[nH]c2c1=O 67299543 IIBATPGHLWQKCK-CABCVRRESA-N 398.532 3.974 0 40 GHAB Cc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(Cl)ccc2C)c1C 67323487 CIDAMHIQVQANMD-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1C 409162870 IWLLWUAUVFFCRG-WOJGMQOQSA-N 396.468 3.987 0 40 GHAB CC(=O)Oc1ccc(Br)cc1/C=C1\N=C(c2ccccc2)OC1=O 409192729 ZUUAHLODGOSMGA-GDNBJRDFSA-N 386.201 3.719 0 40 GHAB COc1cc(OC)cc(OCC(=O)NCCSCc2ccccc2Cl)c1 218887530 AAHSIUKGAYCVKG-UHFFFAOYSA-N 395.908 3.786 0 40 GHAB Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)c1C 71327177 QGDVJKFNOXUIAQ-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB COc1ccccc1OCCc1cc([C@H]2CCN(Cc3cnc(C)s3)C2)n[nH]1 72371789 GAEKYOULSAINES-INIZCTEOSA-N 398.532 3.794 0 40 GHAB O=C(Cc1nsc2ccccc12)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 564874194 ZMVKEYGNUDBUHW-LBPRGKRZSA-N 394.422 3.918 0 40 GHAB O=S(=O)(Cc1cc(F)ccc1F)NC[C@@H](c1ccsc1)c1ccco1 670902869 LDSAEGYOESJHSG-HNNXBMFYSA-N 383.441 3.871 0 40 GHAB Cc1ccccc1-c1noc(CNC(=O)COc2cccc(C(F)(F)F)c2)n1 225815329 OXAMLUZGCNKESD-UHFFFAOYSA-N 391.349 3.759 0 40 GHAB COC(=O)c1ccc2[nH]c(-c3ccc(I)cc3)nc2c1 226235665 KUGVEVOOGNBGQS-UHFFFAOYSA-N 378.169 3.621 0 40 GHAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCOc1ccc(F)cc1 224557641 FVFZTHYHDHUPRY-UHFFFAOYSA-N 392.430 3.915 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 225014601 DNSUPGMXONJXDU-IBGZPJMESA-N 397.494 3.513 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F 222777835 HPIGTDMWKDHJTJ-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)c1 224828236 GNRABOZJACTRSP-OALUTQOASA-N 380.473 3.604 0 40 GHAB O=C(O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1CSc1ncccn1 85398295 GXVAGJIMRLWJHG-UHFFFAOYSA-N 389.440 3.715 0 40 GHAB CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2C[C@@H](C)C[C@H](C)C2)n1 225883014 XVWNWLAXWDMPCI-HOTGVXAUSA-N 390.601 3.646 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 222804912 XSRKERBQGAKNLJ-QFIPXVFZSA-N 396.531 3.960 0 40 GHAB CCCSc1nnc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)s1 224558073 SCJJJEGPKQDBGN-UHFFFAOYSA-N 379.916 3.503 0 40 GHAB CCn1c(CN(C)[C@H]2CCCN(c3ccccc3)C2)nc2cc(C(=O)O)ccc21 571768974 NMSRKHLALJXMMR-IBGZPJMESA-N 392.503 3.855 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(Cl)c1 223680219 URFWJJRFTMHURO-INIZCTEOSA-N 388.895 3.581 0 40 GHAB Cc1ccccc1OCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 223094345 DAFAEODYWMKFJP-LJQANCHMSA-N 396.531 3.748 0 40 GHAB O=C(c1cc2cccc(Cl)c2oc1=O)N1CCN(c2ccc(F)cc2)CC1 226040395 ZVYSXXHXJPSDRY-UHFFFAOYSA-N 386.810 3.548 0 40 GHAB O=C(Nc1cccc(F)c1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97994290 UHECBCYLDDBOAF-QGOAFFKASA-N 375.363 3.709 0 40 GHAB CN1CCN(c2cccc(Cl)c2CNc2ccc3ccn(C)c(=O)c3c2)CC1 585081309 YLJVBQVFTGAHIJ-UHFFFAOYSA-N 396.922 3.556 0 40 GHAB CCn1cc(CN2CCO[C@@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1 257262170 LKKHUDSIZBDETM-JOCHJYFZSA-N 378.476 3.547 0 40 GHAB CNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CC2)CC1 257251528 JRCSYDLQFHZMEW-UHFFFAOYSA-N 382.529 3.722 0 40 GHAB C[C@H](CC(=O)O)[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 253610269 KFMBVCVREUOCAU-FCZHKVORSA-N 376.537 3.864 0 40 GHAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)[C@@H]1OCC[C@@H]1Cn1ccnc1 621962611 UFRYEMDQZYYERL-AUUYWEPGSA-N 398.850 3.768 0 40 GHAB Cc1cc(CN(C)C(=O)c2ccnc3ccnn23)cc(C)c1OCC(F)(F)F 624474143 NWZQTHLRUSOFCM-UHFFFAOYSA-N 392.381 3.559 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099874 UQWQPUXDOMMKPN-HNNXBMFYSA-N 399.541 3.988 0 40 GHAB O=C(Cc1ccccc1Cl)NCCn1nc(-c2ccncc2)c2c1CCCC2 96121453 NKXOIUYJAYWONU-UHFFFAOYSA-N 394.906 3.836 0 40 GHAB Cc1c(O)ccc2c(CSc3nnc(N4CCCC4)s3)cc(=O)oc12 52911938 QNIYHFFZTQUMRR-UHFFFAOYSA-N 375.475 3.551 0 40 GHAB CCCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1CC)CCCC3 5000994 KKXWNXCUHISVHD-UHFFFAOYSA-N 393.578 3.707 0 40 GHAB Cc1ccc2nc(CSc3ncnc4sc5c(c34)CCC5)cc(=O)n2c1 5212727 ULNRKNIBCGPSJN-UHFFFAOYSA-N 380.498 3.789 0 40 GHAB C[C@@H]1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2S1 14199652 BBKHEZNITMHNQQ-CQSZACIVSA-N 380.469 3.590 0 40 GHAB CCOC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccccc3O)C2=O)cc1 15885525 XSCJRMJIXKEUKM-BOPFTXTBSA-N 383.425 3.805 0 40 GHAB CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 15982685 VTOCVEFJGKCMAG-UHFFFAOYSA-N 392.480 3.808 0 40 GHAB Cc1csc2c(=O)n3c(nc12)CCN(Cc1ccc(C(F)(F)F)cc1)CC3 19240313 UFWJMZHMOIQGIY-UHFFFAOYSA-N 393.434 3.844 0 40 GHAB CCOC(=O)[C@@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCCN(C(C)C)C1 19529965 UXGLKXVVYVXPLK-IIBYNOLFSA-N 376.472 3.763 0 40 GHAB COc1cc2sc(NC(=O)c3ccccc3Cn3cncn3)nc2cc1Cl 19550671 BXVKSOSXBNFHRG-UHFFFAOYSA-N 399.863 3.850 0 40 GHAB CCCN1C(=O)CCc2c(C)nc([C@@H]3CCCCN3Cc3cnc(C)s3)nc21 19741017 MQCOYDQYZVQTBP-SFHVURJKSA-N 399.564 3.966 0 40 GHAB O=C(CSc1nc2ccccc2s1)Nc1ccccc1C(=O)NC1CC1 5629423 IIWGVTJHJIXBFA-UHFFFAOYSA-N 383.498 3.919 0 40 GHAB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2Br)NC(=O)N1 1438297 XCMCRRPYLCROMN-OAHLLOKOSA-N 379.254 3.563 0 40 GHAB COc1ccc(C(=O)Nc2cc3c(cc2C(=O)c2ccccc2)OCCO3)cc1 1446113 IPQMUIZIHOTRPM-UHFFFAOYSA-N 389.407 3.950 0 40 GHAB O=C(CSc1ccc(-c2ccc(F)cc2)nn1)Nc1ccc2c(c1)OCCO2 4356388 YCLWCZFNRXIHPO-UHFFFAOYSA-N 397.431 3.785 0 40 GHAB O=C(Oc1ccc2nc(N3CCOCC3)sc2c1)c1ccc2ncsc2c1 7512988 KIRXEZAEISZYDY-UHFFFAOYSA-N 397.481 3.962 0 40 GHAB CC(C)C(=O)Nc1ccc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nn1 13702083 VLIHJGMBAGGLJH-UHFFFAOYSA-N 398.410 3.821 0 40 GHAB Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2cccs2)c2ccco2)ccc1F 15781276 JGPXOLWADDNSPT-KRWDZBQOSA-N 393.461 3.734 0 40 GHAB O=C(Cn1cnc2c(sc3cccc(F)c32)c1=O)Nc1ccc(F)cc1F 17149823 KCAWKHSKSAWQSX-UHFFFAOYSA-N 389.358 3.667 0 40 GHAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3ccc4ccccc4n3)CC2)n1 1775967922 GVMIUZBVNIAQPO-UHFFFAOYSA-N 390.487 3.566 0 40 GHAB CC(C)NC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 101282220 FOTWFGMERTVKAQ-UHFFFAOYSA-N 380.835 3.610 0 40 GHAB O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCS[C@@H](c2ccco2)CC1 219402208 AUTQWENXLRDFCX-LJQANCHMSA-N 397.456 3.719 0 40 GHAB O=C1CSC(=O)N1[C@@H]1CCCC[C@@H]1NC(=O)C1(c2cccs2)CCCC1 38679618 UDLWWBYQXKNSGO-UONOGXRCSA-N 392.546 3.683 0 40 GHAB O=C(CCn1cnc2ccccc2c1=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117472 QZUTVHBFMPMOAV-JOCHJYFZSA-N 393.462 3.973 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc2c1O[C@H](C)[C@@H]2C 40009575 LKOAPALNYSFBNE-NWDGAFQWSA-N 385.416 3.627 0 40 GHAB O=C1O[C@@H](CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c2ccccc21 40162207 IYCFIWMLMZOQJS-FQEVSTJZSA-N 393.439 3.988 0 40 GHAB C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CCCCCC1 32097024 LOBFVPRGHIKDCA-HNNXBMFYSA-N 396.516 3.608 0 40 GHAB C[C@@H]1CCCN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)C1 905228 TXNFARMTVHVZBG-MRXNPFEDSA-N 393.516 3.680 0 40 GHAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1Cl 934334 XYJNDRKYCGYLCB-KRWDZBQOSA-N 391.254 3.989 0 40 GHAB biogenic Cc1ccc2cc(CN(C(=O)C3CCC3)C3CCCC3)c3nnnn3c2c1C 1367384 AORDYDNUKRJQIN-UHFFFAOYSA-N 377.492 3.966 0 40 GHAB CC(=O)N(Cc1ccccc1Cl)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1378116 HFZBLPMPMLKVEJ-UHFFFAOYSA-N 398.846 3.501 0 40 GHAB O=C1COc2c(cc(C(F)(F)F)cc2NC(=O)NCCc2cccc(F)c2)N1 79014560 GDTWLIIOSXGRMT-UHFFFAOYSA-N 397.328 3.540 0 40 GHAB Cc1ccc(-c2nn(CC(=O)N3CCCCC3)cc2Br)cc1C 79107703 RHICZAUZUXKOJZ-UHFFFAOYSA-N 376.298 3.942 0 40 GHAB Nc1nc(SCC(=O)N2CCc3ccccc32)nc2sc3c(c12)CCCC3 6108949 WBBSVXIADLGLEZ-UHFFFAOYSA-N 396.541 3.834 0 40 GHAB O=C(CCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 7128861 AYICWKPBJRQHOD-UHFFFAOYSA-N 390.480 3.572 0 40 GHAB O=C(O)/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Sc1nc2ccccc2o1 7602940 GBWIZTYZHMYMLH-UUASQNMZSA-N 386.341 3.683 0 40 GHAB COc1cccc(CN(C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 7683545 VWPINZQVSXRRCG-UHFFFAOYSA-N 388.467 3.997 0 40 GHAB COCCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cccc(C)c2)n1 8476907 GGQNWNUONFTMIL-UHFFFAOYSA-N 384.867 3.662 0 40 GHAB COc1cc(CNc2nnnn2C)cc(Cl)c1OCc1ccccc1Cl 22112152 JFSYYTQFARQRGL-UHFFFAOYSA-N 394.262 3.717 0 40 GHAB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(C)c(OC)c2)CC1 58438493 VBJLCAWWMINUAY-KRWDZBQOSA-N 399.510 3.776 0 40 GHAB COc1cc(NC(=O)N2C[C@H](C)O[C@H](C)C2)ccc1NC(=O)OC(C)(C)C 47560310 RQLWCRLGKGYBDZ-BETUJISGSA-N 379.457 3.683 0 40 GHAB Cc1cc(N)nc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1 9118069 PGPXBPQCDUYCBN-UHFFFAOYSA-N 396.520 3.581 0 40 GHAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NC[C@H]2CCCO2)cc1 704059 YIEQNIJRAACBDD-CQSZACIVSA-N 388.445 3.667 0 40 GHAB aggregator COc1ccc(OCC(=O)Nc2ccc(-n3cnc(Cl)c3Cl)nc2)cc1 61719644 CRLQAFJXZHERFW-UHFFFAOYSA-N 393.230 3.600 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)c1 12561552 TYJVRJCLSMHCFR-UHFFFAOYSA-N 394.519 3.706 0 40 GHAB COc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(F)cc23)c(C)cc1C 1074511 WKJRQHJHDPQEKN-UHFFFAOYSA-N 390.480 3.762 0 40 GHAB O=C(NCc1ccccc1)c1cccc(OS(=O)(=O)c2ccc(F)cc2)c1 23862909 GNACNFAMVFCBKS-UHFFFAOYSA-N 385.416 3.523 0 40 GHAB CCn1c(Sc2nnnn2-c2ccccc2)nnc1-c1ccc(Cl)cc1 3287454 YBLOGPLHWCMTNO-UHFFFAOYSA-N 383.868 3.745 0 40 GHAB O=C(CCc1nc2ccccc2[nH]c1=O)OCc1c(Cl)cccc1Cl 3273367 AXAPSJPWHULRSK-UHFFFAOYSA-N 377.227 3.906 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1Br 3233442 IDUHOPAVYDYLLW-AWEZNQCLSA-N 390.277 3.743 0 40 GHAB Cc1ccc(Sc2ncccc2C(=O)NCC(C)(C)N2CCOCC2)c(C)c1 25608110 VSXOMMPUYKFXOF-UHFFFAOYSA-N 399.560 3.690 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 56441579 KIIKLKHOLJEDLB-INIZCTEOSA-N 385.483 3.859 0 40 GHAB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccccc2)n2c1nc1ccccc12 20638161 INEFNUSCRTZHJE-VQTJNVASSA-N 391.471 3.952 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N[C@@H](C)c2ccccc2Cl)cc1 57452189 KHNJKTJMNOHDCV-HOTGVXAUSA-N 387.911 3.785 0 40 GHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1cccc(Cl)c1 3365837 JHRXVTPDRBPILP-UHFFFAOYSA-N 380.853 3.772 0 40 GHAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3noc4c3CCCC4)C2)cc1 108858899 VOQSMVJGWLAJOP-KRWDZBQOSA-N 382.508 3.896 0 40 GHAB COc1ccc([C@@H](CNC(=O)Nc2nc3c(s2)C[C@H](C)CC3)N(C)C)cc1 72280727 LMKZIIDTYCQOJN-CXAGYDPISA-N 388.537 3.701 0 40 GHAB C[C@@H](C(=O)NCc1ccc(F)cc1)N(C)Cc1ccccc1N1CCCCC1 10056280 KNTWEMWVHQKKAH-SFHVURJKSA-N 383.511 3.953 0 40 GHAB C[C@@H](Sc1nc2ncccn2n1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 10074194 JQAOXKDNCAJNSG-NXEZZACHSA-N 396.303 3.789 0 40 GHAB CN(C)C(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12796789 ZOGQRYBPPPOCRC-KNQAVFIVSA-N 380.488 3.814 0 40 GHAB CCCCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 27747861 NLDSSYRLMFGFBN-GOSISDBHSA-N 388.533 3.730 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)sc1C(=O)O 58377496 LMEDOMMAMUMKRK-UHFFFAOYSA-N 394.396 3.530 0 40 GHAB CCCCOc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 22585959 MHPQRZVZFDGBKL-UHFFFAOYSA-N 381.520 3.622 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1F 2223482 AXGXXWSFIPOBEB-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB Cc1cc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c2c(C)noc2n1 12777824 GJNRZNVVELHVME-LLVKDONJSA-N 385.493 3.780 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)Cn2c(S)nnc2-c2cccs2)cc1 10978659 ZSIZDEXAEQRAFP-GFCCVEGCSA-N 388.518 3.571 0 40 GHAB CCN(CC)c1nc2ccccc2n([C@@H](C)C(=O)Nc2cccc(C)c2)c1=O 12898627 RXGXEWSNFSLBPJ-INIZCTEOSA-N 378.476 3.751 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(CN2CCOCC2)cc1 12804329 FUAFDQAYBRTLSP-UHFFFAOYSA-N 394.393 3.555 0 40 GHAB CC(C)CN(C(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2s1 3442003 HRUQGXFAXYSAFA-UHFFFAOYSA-N 378.461 3.575 0 40 GHAB C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)C1 3430298 RBDRVNZDVBRVSG-MRXNPFEDSA-N 393.516 3.680 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(Cl)cc1F 12928341 ODTUCHULNFMFEX-UHFFFAOYSA-N 393.871 3.760 0 40 GHAB CN(C)c1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cn1 12928630 PNGVNWMORHCAOX-UHFFFAOYSA-N 381.457 3.900 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c(C)c1 12914517 CSWYWIXCHHRCKV-UHFFFAOYSA-N 383.517 3.927 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1cc(OC)c(OC)cc1OC)O[C@@H](C)C2 12977880 YHMGQGPVIPVWMP-LBPRGKRZSA-N 387.432 3.687 0 40 GHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCCCN1C(=O)c1cccs1 13012513 WODQNYJWXCAPTJ-GFCCVEGCSA-N 394.399 3.703 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2N)c(C)n1C[C@H]1CCCO1 6059870 WEBVUTUIZRJOJY-OAHLLOKOSA-N 390.867 3.559 0 40 GHAB CCCCOc1ccc(/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 13799827 YJZCULGLCQVDDK-RGEXLXHISA-N 391.496 3.853 0 40 GHAB O=S(=O)(CCN1CC[C@H](c2ccccc2)C1)c1ccc(Br)cc1 69873824 LVJFBSWJALYWKC-INIZCTEOSA-N 394.334 3.712 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 5268971 VUMMKSMJYPCKAY-UHFFFAOYSA-N 395.422 3.579 0 40 GHAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCCC[C@@H]3C)c3ccccc32)cc1 5302825 JESCEGBCQYUTEP-MHECFPHRSA-N 392.499 3.634 0 40 GHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)[C@@H](C)c1ccccc1 6477608 CVSYPPUBRZTDSH-KRWDZBQOSA-N 386.517 3.912 0 40 GHAB Cn1ccnc1C(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 65610480 SPQAPDJBDJSWEF-UHFFFAOYSA-N 383.448 3.662 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)cc1Cl 4545654 WXRXUUMIDLNQSN-UHFFFAOYSA-N 377.799 3.932 0 40 GHAB CCc1ccccc1NC(=O)CN(C)C(=O)CSc1nc2ccc(C)cc2[nH]1 6506023 NBTNOVXSQFXSAV-UHFFFAOYSA-N 396.516 3.623 0 40 GHAB COc1ccc(C)cc1C(=O)CCC(=O)OCC(=O)Nc1ccc(C)c(C)c1 6588943 IDVPOBIWGOBNCQ-UHFFFAOYSA-N 383.444 3.765 0 40 GHAB CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3OC)/c(=N/O)oc2c1 4663328 BOSKSAMXEKMZCQ-LNVKXUELSA-N 381.432 3.830 0 40 GHAB COC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(OC)cc3)cc12 4735795 RFPWWXWCAXYTJH-UHFFFAOYSA-N 389.429 3.646 0 40 GHAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC(=O)O)cc1 8867824 BGXSICORJDETLJ-LJQANCHMSA-N 377.396 3.511 0 40 GHAB C[C@H]1CCCN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)C1 8991284 RMPBBQKCOAKBEE-HNNXBMFYSA-N 393.439 3.803 0 40 GHAB biogenic CCc1ccc(C(=O)CN2C(=O)N[C@](CC)(c3ccc(Cl)cc3)C2=O)cc1 6839352 NLYSGCDGZXXAAR-OAQYLSRUSA-N 384.863 3.942 0 40 GHAB CN(C)C(=O)[C@@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 6929710 QSCXLDCMHLIFIT-INIZCTEOSA-N 399.541 3.785 0 40 GHAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1 6906346 SOQXXBDOCFIVEY-UHFFFAOYSA-N 379.478 3.811 0 40 GHAB CN1C(=O)N/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O 409189535 HPMWLFSKPJSJOL-KPKJPENVSA-N 381.613 3.885 0 40 GHAB C[C@H](OC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)c1nc2ccccc2[nH]1 64359063 GRBNRLRDSNSQBM-JTQLQIEISA-N 398.362 3.774 0 40 GHAB CCCOc1ccc(OCCOC(=O)c2cncc(Br)c2)cc1 16046826 ZVSUEHLOJZVIMX-UHFFFAOYSA-N 380.238 3.869 0 40 GHAB Cc1cccc(C(=O)NCC(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)c1 9313800 VSWOEDFWTGYQIY-LJQANCHMSA-N 378.476 3.505 0 40 GHAB O=C(Nc1cccc(F)c1)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 9485606 HIDXFASSRDAJEL-OAHLLOKOSA-N 379.435 3.727 0 40 GHAB CCCCOCCCNC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 19809600 DFEXTATZRGKRBV-UHFFFAOYSA-N 398.503 3.691 0 40 GHAB Cc1csc(N2CCN(C(=O)[C@@H](Oc3ccccc3)c3ccccc3)CC2)n1 84268473 FZPUJFACBYMPQE-FQEVSTJZSA-N 393.512 3.920 0 40 GHAB O=C1CCCN1c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 9516060 MNRVGHFFCVKABU-IBGZPJMESA-N 392.455 3.562 0 40 GHAB O=C(/C=C/c1ccco1)Nc1ccc(N2CCOCC2)c(Br)c1 20611598 YAKGDYDBOKHSLZ-GQCTYLIASA-N 377.238 3.531 0 40 GHAB O[C@H](CSc1nnc2c(Cl)cc(Cl)cn12)c1ccc2c(c1)OCO2 71810494 MWEVXOABSRWHNC-LLVKDONJSA-N 384.244 3.591 0 40 GHAB CCC(CC)(CCO)CN[C@H](C)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1 95451044 NGWWRMQROQKDKA-GOSISDBHSA-N 392.565 3.873 0 40 GHAB Cn1c(SC[C@@H]2CO[C@H](c3ccc(Cl)cc3)O2)nnc1-c1cccnc1 95448421 WJNZCGPPQDUHCH-RDJZCZTQSA-N 388.880 3.737 0 40 GHAB CN1C(=O)C(C)(C)COc2cc(NC(=O)NCCCc3ccccc3)ccc21 22508320 RWDXHBCKVBJNIP-UHFFFAOYSA-N 381.476 3.822 0 40 GHAB Cc1ccc(OC[C@@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1C 22793893 LEUOGARPCGDRHZ-NRFANRHFSA-N 388.939 3.514 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1C(C)C 20034424 HRCVHURPYKTQAL-UHFFFAOYSA-N 383.315 3.915 0 40 GHAB Cc1nn(C)cc1CNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 28238308 AUYLNTRAEJVPML-UHFFFAOYSA-N 375.428 3.984 0 40 GHAB CC1CCN(CC(=O)Nc2cc(Br)ccc2Br)CC1 409385045 IGOTWTKZWWATIR-UHFFFAOYSA-N 390.119 3.882 0 40 GHAB Cc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3)s2)cc1 56934217 MNYNENMBUMCKKQ-UHFFFAOYSA-N 384.486 3.830 0 40 GHAB CCc1nnc2c(SCC(=O)Nc3cccc(OC)c3)nc3ccccc3n12 35426691 OBJIHYKAPADNIG-UHFFFAOYSA-N 393.472 3.579 0 40 GHAB CCn1ncc(-c2cc(C(F)F)nc(N[C@H](C)CN3CCCCC3)n2)c1C 36613723 XIGDUSVNHGZGDK-CYBMUJFWSA-N 378.471 3.892 0 40 GHAB COc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)c2)c1 408672224 MLYRQXWQAIJZTK-KPOBHBOGSA-N 390.439 3.649 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 35476064 HECQLPJGCVDRRX-HNNXBMFYSA-N 381.863 3.851 0 40 GHAB OC1=Nc2nc(N3CCOCC3)sc2[C@@H](c2ccc(Br)cc2)C1 36357376 UKMQJSPFQKSVQB-GFCCVEGCSA-N 394.294 3.866 0 40 GHAB COC(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 70635434 KUHHOIODUYZMJK-QGZVFWFLSA-N 393.361 3.706 0 40 GHAB Cc1c(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)cnn1-c1ccccc1 38518124 GXBUDGOFMGSIQM-UHFFFAOYSA-N 379.464 3.707 0 40 GHAB Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3c[nH]nc3C)CC2)cc1 72362542 IUDXAWYDAUKSIS-UHFFFAOYSA-N 377.448 3.629 0 40 GHAB COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 219682164 KDDVOAIXVDUBFI-AWEZNQCLSA-N 392.293 3.974 0 40 GHAB COc1ccccc1[C@H](NC(=O)NCCc1cccc(Cl)c1)c1nccn1C 40071241 ZFLOAPJXFHWBST-IBGZPJMESA-N 398.894 3.713 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 222817282 BGUPCCNAWRLWDU-SFHVURJKSA-N 396.531 3.915 0 40 GHAB COc1ccc(CCNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC 40097112 UUNZVIZSDXIVFT-UHFFFAOYSA-N 384.354 3.967 0 40 GHAB O=C(Oc1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccs1 227115800 XHGZYNLGRJNQFF-OMGPHWHRSA-N 391.448 3.525 0 40 GHAB Cc1ccc(-c2noc(CNC(=O)COc3cccc4c3CCCC4)n2)cc1 224803890 KSZARLCXEBWBLN-UHFFFAOYSA-N 377.444 3.619 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3c(F)cccc3F)n2)cc1OC 225826032 NDKOAHWJYTWACJ-UHFFFAOYSA-N 389.358 3.603 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)c2)cc1 223954752 SBQMISHGIQTRQK-QINHECLXSA-N 384.501 3.714 0 40 GHAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 44845473 GPEVKRMHMJNAJC-OAHLLOKOSA-N 390.505 3.612 0 40 GHAB CC[C@@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccc2c(c1)CCCC2 223054337 ALMSFXRISISYTD-LJQANCHMSA-N 386.517 3.818 0 40 GHAB CCCC[C@H](C)C[C@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)O 96481901 OJZYRQPMEIEQFC-IKEPAZFSSA-N 380.525 3.887 0 40 GHAB Cc1cc(C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)c2cnn(C)c2n1 585082947 ZDLHVOCQRKESBA-CYBMUJFWSA-N 390.409 3.999 0 40 GHAB Cc1cc(Nc2cc(CC3CCN(C(=O)C(C)(C)C)CC3)nc(C3CC3)n2)[nH]n1 257330844 XQGUVVPHBOVVFX-UHFFFAOYSA-N 396.539 3.956 0 40 GHAB C[C@@H](CN(C)C(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F)c1nccs1 544328691 PVDUCYGRZUWPOZ-JTQLQIEISA-N 398.410 3.636 0 40 GHAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C)nn43)CC2)cc1 257303305 SGRBLFMOFXMJSX-WGSAOQKQSA-N 392.503 3.679 0 40 GHAB O=C(CCCCCOC(=O)COC(=O)c1ccccc1)OCc1ccccc1 263583705 UMIQBOQTYZJZKB-UHFFFAOYSA-N 384.428 3.690 0 40 GHAB Cc1cc(C2(NC(=O)Nc3nc4c(s3)CC(C)(C)CC4)CCOCC2)on1 626591696 YVQRBTSRUYKPGA-UHFFFAOYSA-N 390.509 3.782 0 40 GHAB CCc1ccc(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)cc1 585111157 HCLZTGFHQANLRV-NRFANRHFSA-N 375.472 3.538 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1Cl 5007629 ZHMMDJBXMKQVKZ-MDWZMJQESA-N 383.853 3.727 0 40 GHAB COc1cc(C)c(NC(=O)COc2ccc(Br)cc2F)cc1OC 11641244 FELPJCCPYRXPQQ-UHFFFAOYSA-N 398.228 3.931 0 40 GHAB O=C(c1ccccc1F)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1 12145178 KXDCJYXBQPPIKS-OAHLLOKOSA-N 397.475 3.663 0 40 GHAB O=C(N1CC(O)C1)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 12366511 JOWUQZGQGOKSSO-UHFFFAOYSA-N 391.467 3.642 0 40 GHAB Cc1ccc(C)c(SCC(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 12974326 MENYOYQJRBSJIQ-QGZVFWFLSA-N 390.574 3.647 0 40 GHAB CS(=O)(=O)N(CCCC(=O)N1CCCCC1)c1cc(Cl)ccc1Cl 14400687 BVZFKHRHFWOUDR-UHFFFAOYSA-N 393.336 3.552 0 40 GHAB CNc1ncccc1CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(C)=O 19017599 XOVUIZCPUHDHGH-DNVJHFABSA-N 392.547 3.882 0 40 GHAB Cc1ccc([C@@H](C)N2CCN(C(=O)c3c(-c4ccncc4)noc3C)CC2)cc1 19136405 INGGISXUFDWDDF-QGZVFWFLSA-N 390.487 3.872 0 40 GHAB Cc1ccsc1CN1CCN(c2ccccc2[C@@H](O)c2nccs2)CC1 19238650 KYKGJIFPOGZSGY-LJQANCHMSA-N 385.558 3.917 0 40 GHAB CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)noc2n1 19521989 ZOZGBDDKRXVPNY-SNVBAGLBSA-N 393.369 3.547 0 40 GHAB COc1ccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CCN(Cc4ccccc4)C[C@H]23)cc1 19557741 YYBRUBMNTRAFEP-WXFUMESZSA-N 390.527 3.922 0 40 GHAB CC(C)c1cc(N[C@H]2CCCN(c3ccccc3Cl)C2=O)n2ncnc2n1 525705716 GHUYGEFQWHUUNX-AWEZNQCLSA-N 384.871 3.509 0 40 GHAB CC[C@H](C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 14883342 GVBNSPFBYXGREE-BKOMCJNNSA-N 388.416 3.526 0 40 GHAB biogenic,in-man COc1ccccc1-c1ccc(CN2CCC(N(C)CCN(C)C)CC2)cc1 19582446 FSPSNGZLANTUDF-UHFFFAOYSA-N 381.564 3.820 0 40 GHAB Cc1cc(C(=O)CSc2ncccn2)c(C)n1C[C@H]1COc2ccccc2O1 2637507 PZDJUKOVIKTIQU-INIZCTEOSA-N 395.484 3.710 0 40 GHAB NC(=O)CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(Cl)cc1Cl 18235110 FPZDBYKOMYHFPF-VQHVLOKHSA-N 377.271 3.911 0 40 GHAB COc1ccc(OC)c([C@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)c1 887210 HNVBBOWPECEXKO-HXUWFJFHSA-N 397.452 3.698 0 40 GHAB Cc1cc(O)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n1C[C@H]1CCCO1 4851076 PCTUJZPWTBCRMR-GFCCVEGCSA-N 397.258 3.600 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)o1)N1CCC(Cc2ccccc2)CC1 4941523 IFSUZQRUIZUIJU-UHFFFAOYSA-N 394.500 3.705 0 40 GHAB O=C(Nc1cccc(F)c1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 5305007 NBTLPQLJZPKVDZ-UHFFFAOYSA-N 391.377 3.975 0 40 GHAB CCOc1ccc(-c2ccc(OCCNC(=O)c3cc(C)cc(C)c3)nn2)cc1 7598653 NRVLPHACPTVUCH-UHFFFAOYSA-N 391.471 3.968 0 40 GHAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccc(Cl)c(Cl)c1 22765813 XDOAUJBKJBKGQM-INIZCTEOSA-N 385.316 3.858 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1cc(=O)c2ccccc2o1 1775968639 IMRZZOKKUGNIML-CQSZACIVSA-N 381.409 3.578 0 40 GHAB CC[C@@H](OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 23224657 VIQBAUPXISBFMX-FCHUYYIVSA-N 388.939 3.991 0 40 GHAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCO[C@H](C)C2)cc1 40024226 UMRZWHNQINWBSD-GOSISDBHSA-N 375.472 3.768 0 40 GHAB COc1cccc([C@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)c1 100970534 CFRMSCLPVQQMIJ-MRXNPFEDSA-N 384.237 3.500 0 40 GHAB O=C(c1ccccc1Br)N1CCN(C/C=C/c2ccccc2)CC1 20508692 CLGFRXNPXZFNLL-RMKNXTFCSA-N 385.305 3.920 0 40 GHAB COc1ccccc1-n1nnc(-c2nnc(Cc3ccc(Cl)cc3)o2)c1C 20744381 HXZPXMUWMKUQNS-UHFFFAOYSA-N 381.823 3.879 0 40 GHAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)CCCOc1ccc(Cl)cc1Cl 60241797 OEFGPWMZVRTOCU-INIZCTEOSA-N 393.270 3.596 0 40 GHAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccnc1OCC(F)(F)F 32763173 UWNWTHHHILIDNF-AWEZNQCLSA-N 399.438 3.651 0 40 GHAB COCSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 32719079 GVJCIZLUBGYPDW-UHFFFAOYSA-N 377.267 3.788 0 40 GHAB CCCCCOc1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 2617619 MIXOLVVGXSFPFX-UHFFFAOYSA-N 397.427 3.626 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 2638774 XZLQNTIKKDXXBF-HXUWFJFHSA-N 388.423 3.688 0 40 GHAB O=C(NCCc1ccccc1)[C@H]1CCCC[C@@H]1C(=O)OCC(F)(F)C(F)F 1085157 FLEBOZRMEYFCKM-GJZGRUSLSA-N 389.389 3.595 0 40 GHAB CCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2ccco2)cc1 1353847 AQFRNTBCSVZYJR-UHFFFAOYSA-N 396.418 3.781 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1C(C)C 1364237 QLUJEMRHLOEAGL-UHFFFAOYSA-N 375.498 3.501 0 40 GHAB Cc1ccc(C(=O)COc2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102592342 KGFACBXTOKAQCI-KLDKWKSESA-N 387.435 3.568 0 40 GHAB O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)NC1CCCCC1 6087534 JCTDOGYTNJXBKL-UHFFFAOYSA-N 385.464 3.713 0 40 GHAB Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 6213998 JAUIJRANUZJYGV-UHFFFAOYSA-N 396.468 3.813 0 40 GHAB O=C(Cn1ccc2ccccc21)Nc1ccc(I)cc1 6393532 ZJRPAHVTESHOEX-UHFFFAOYSA-N 376.197 3.885 0 40 GHAB CCCOc1ccc(OC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1 6788772 QMVGVBQMINSOAX-UHFFFAOYSA-N 391.489 3.725 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1 7687687 UTIAJMIANLSBMK-GFCCVEGCSA-N 384.295 3.806 0 40 GHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 10367197 RRAZEYDNZCEUAB-ZDUSSCGKSA-N 398.887 3.889 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N1C[C@H](C)O[C@@H](C)C1 12457438 ZRTGOGGTUZPAJT-CWCINCBISA-N 387.911 3.851 0 40 GHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc(Cn2cccn2)cc1 26424672 RTTKFFMUDHRXRE-UHFFFAOYSA-N 384.819 3.713 0 40 GHAB CCn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2cc(Br)ccc21 9287136 ZVYGEIBEFNFSRE-UHFFFAOYSA-N 379.641 3.588 0 40 GHAB CC(C)CC[C@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12516759 VMAWRYVIAIUUTP-HNNXBMFYSA-N 391.537 3.722 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)N2CCCSc3ccccc32)cc1 9645524 PROQOMYHOLSWAS-UHFFFAOYSA-N 377.487 3.554 0 40 GHAB O=C(OCc1nccn1Cc1ccccc1)c1csc(-c2ccccn2)n1 97000786 CXQIPJVCQLBMMW-UHFFFAOYSA-N 376.441 3.807 0 40 GHAB Cc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1Cl 21069644 FDQIQJDCUYGJDD-JXMROGBWSA-N 390.892 3.741 0 40 GHAB Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCN(CC2CC2)CC1 54838895 RDLSQWUYPSNHIZ-INIZCTEOSA-N 384.549 3.917 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 48065049 LBPNZMUJSZCTCX-HGZMWJMZSA-N 396.443 3.567 0 40 GHAB CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H](c2ccccc2)C1 25909664 SINDWROWTYUETK-MRXNPFEDSA-N 385.316 3.671 0 40 GHAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(Cl)c(Cl)c1 24865064 MSSFQTADFDONLE-GOSISDBHSA-N 379.287 3.797 0 40 GHAB Cc1ccc(NC(=O)C2CCN(Cc3csc(-c4ccoc4)n3)CC2)nc1 108360549 ZHJYMLZKJRNVNI-UHFFFAOYSA-N 382.489 3.957 0 40 GHAB COc1ccc(NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1915541 HEVXJNDTBVGXTQ-UHFFFAOYSA-N 391.452 3.772 0 40 GHAB CC(C)N(C(=O)[C@H](C)OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(C)C 21603611 IXGFPUPZFLOENR-QMMMGPOBSA-N 396.702 3.815 0 40 GHAB COc1ccc([C@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1OC 22530689 LFTBTBNFTHOHRZ-AWEZNQCLSA-N 390.439 3.695 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@]1(N(C)C)CCC[C@@H](C)C1 58265262 YWZBKWHZWSXUEO-QRQCRPRQSA-N 386.515 3.869 0 40 GHAB O=C(OCC(=O)c1ccc(Br)s1)c1ccc(Br)o1 3343960 MDTXBPTWHPOMKW-UHFFFAOYSA-N 394.040 3.906 0 40 GHAB O=C(CSc1ccc(CCN2CCOCC2)o1)Nc1ccc(F)c(Cl)c1 27753206 FXXWFKPBNNQBKR-UHFFFAOYSA-N 398.887 3.678 0 40 GHAB O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)CC2CCCC2)C1 72272782 PESMWIPIRJESSI-AWEZNQCLSA-N 394.313 3.602 0 40 GHAB CCOc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1OCC 36391401 FVCRYTPVYHRMQH-UHFFFAOYSA-N 392.496 3.613 0 40 GHAB CCN1CCc2nc(NC(=O)CCCOc3ccc(C(C)=O)cc3)sc2C1 12754189 UIVFYBLUIBHCOO-UHFFFAOYSA-N 387.505 3.521 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(F)c2)cc1OC 12738346 ISRVBEUHJYHLPS-MRXNPFEDSA-N 383.416 3.508 0 40 GHAB Brc1ccc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1 2404479 CGNHHPVNXPFHKV-UHFFFAOYSA-N 391.232 3.893 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1c1ncccn1 2441043 FDYCEOOAXDZMDM-KRWDZBQOSA-N 389.798 3.986 0 40 GHAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)Nc1cccc(C(F)(F)F)c1 11621880 CELDVNJTKBRGBU-JTQLQIEISA-N 385.415 3.926 0 40 GHAB COc1cc(C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)ccc1OC(F)F 3489742 ZPABBGGCWJPMER-GFCCVEGCSA-N 379.359 3.505 0 40 GHAB C[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(Cl)cc1Cl 12974541 RGKFLBGSYRTDQT-LLVKDONJSA-N 376.243 3.581 0 40 GHAB Cc1cc(C)n2ncc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)c2n1 12914820 DMGVIQMPFHVIRS-UHFFFAOYSA-N 381.436 3.785 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)C2CCCC2)cc1 14189235 ZXMPTVAHKZFWHT-UHFFFAOYSA-N 386.517 3.916 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(Cn2nnc3ccccc32)cc1 14129743 ZQERTERAXMNNBX-IBGZPJMESA-N 384.439 3.733 0 40 GHAB C/C=C/c1ccc(OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 14390343 TZOCSBGXMOBCRD-VOTSOKGWSA-N 396.487 3.787 0 40 GHAB Brc1cc2c(cc1CSc1nnc3n1CCCCC3)OCO2 6879941 JLDYEJJSKPCWLS-UHFFFAOYSA-N 382.283 3.788 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1cc(NC(C)=O)ccc1OC 6831646 UDJSHFVGZFOCKD-LLVKDONJSA-N 391.855 3.755 0 40 GHAB CCCn1c(SCC(=O)N(CC)Cc2ccccc2)nc2ccccc2c1=O 15226198 LTEPJZQOCYFEJS-UHFFFAOYSA-N 395.528 3.947 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cn4ccc(C)cc4n3)n2)cc1 19681314 AKXHJDLWHLRMAJ-UHFFFAOYSA-N 391.456 3.977 0 40 GHAB COc1ccc(NC(C)=O)cc1N[C@@H](C(=O)N1CCCCC1)c1ccccc1 7370407 IYOJZOQRBSJOGO-OAQYLSRUSA-N 381.476 3.819 0 40 GHAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cc2ccccc2o1 8062452 JSGXRVQGRDTLQE-OAHLLOKOSA-N 398.484 3.708 0 40 GHAB Cc1cc(CN(c2nc3ccccc3s2)S(=O)(=O)c2ccccc2)on1 8252087 CHZQHKIIBWEYQA-UHFFFAOYSA-N 385.470 3.988 0 40 GHAB CCc1ccccc1NC(=O)CNC(=O)c1ncc(Cl)c(Cl)c1Cl 8366690 IFTNRCWZHZRISA-UHFFFAOYSA-N 386.666 3.973 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2ccc(Br)cc2)c1 8355188 LZTZUXWMPAPAEA-GFCCVEGCSA-N 378.266 3.886 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C[n+]1cccc(C(N)=O)c1 17197607 AREVPJAUQFATLC-AGHHOFFYSA-O 395.523 3.739 0 40 GHAB CCCCN1C(=O)CC[C@H](C(=O)NCc2ccco2)[C@H]1c1ccc(OC)cc1 8429036 CMRPEOXBNXOTQM-PZJWPPBQSA-N 384.476 3.684 0 40 GHAB COC(=O)c1sccc1NC(=S)N1CCN(c2cc(C)ccc2C)CC1 8682574 BRTJTTYVQVSSDC-UHFFFAOYSA-N 389.546 3.671 0 40 GHAB aggregator O=C(NCc1cccnc1)Nc1ccc(Br)cc1Br 8674694 VXRWQTWTRQHXND-UHFFFAOYSA-N 385.059 3.928 0 40 GHAB O=C(CCCSc1nc2ccccc2[nH]1)NCCc1ccc2c(c1)OCCO2 9885586 VJJBRIBDJAJSSR-UHFFFAOYSA-N 397.500 3.565 0 40 GHAB Cn1cc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c2ccccc2c1=O 72324746 XMXVRSLZIRXQKA-UHFFFAOYSA-N 391.858 3.872 0 40 GHAB biogenic COc1cc2c(cc1OC)CC(=O)N(Cc1c(F)c(F)c(F)c(F)c1F)C=C2 95472438 QTWCJCGHPCFGAN-UHFFFAOYSA-N 399.315 3.955 0 40 GHAB C[C@H](NC(=O)[C@@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1)c1nnc2ccccn12 95474318 QOIVZYRJPZBZFV-BXWFABGCSA-N 390.487 3.622 0 40 GHAB CCOc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1OC 20633388 IGYNAMWCTKBCLB-FQEVSTJZSA-N 393.443 3.906 0 40 GHAB Cc1nc(C(C)(C)NC(=O)[C@H]2CCn3c(cnc3C(F)(F)F)C2)sc1C 95993234 QFHALBDPYOMRMO-NSHDSACASA-N 386.443 3.589 0 40 GHAB CCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C 9944369 KSNIVQJVMQZSDM-CYBMUJFWSA-N 392.594 3.923 0 40 GHAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 408605090 MNHXNGGNIQEAJE-UHFFFAOYSA-N 396.896 3.596 0 40 GHAB Cc1ccc(SCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 409172246 FCVJABDKPSYFAQ-UHFFFAOYSA-N 398.528 3.550 0 40 GHAB O=C(O)c1ccc(NCCc2ccccc2)c(S(=O)(=O)Nc2ccccc2)c1 217504873 CHTAYZIWDCSVCO-UHFFFAOYSA-N 396.468 3.840 0 40 GHAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(N3CCCC3=O)cc1)CC(C)(C)O2 219204758 VONYYRRMGWKCLW-LJQANCHMSA-N 394.471 3.854 0 40 GHAB CCOc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 30503413 SDJYBABMRADHHI-UHFFFAOYSA-N 388.533 3.550 0 40 GHAB CN1CC[C@](O)(CN[C@H](c2sccc2Br)C2CCCCC2)C1 556573024 MHJBGWCKQQJQMY-RDJZCZTQSA-N 387.387 3.788 0 40 GHAB C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccnc(C2CC2)n1 561070269 XMMHMEHQFHOEPU-YVEFUNNKSA-N 391.393 3.975 0 40 GHAB O=C(CN1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCCC1 72359367 LTANTOJZKUASCW-GOSISDBHSA-N 398.938 3.989 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)N1CCC(c2nnc(C(F)(F)F)o2)CC1 77197693 MYGLCDWPNCYIEQ-UHFFFAOYSA-N 378.354 3.518 0 40 GHAB CCn1c(CN2CC[C@@H](Cc3ccc(F)cc3)C2)nc2cc(C(=O)O)ccc21 563631082 OWVGBRHAVGLKAH-INIZCTEOSA-N 381.451 3.958 0 40 GHAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72353961 GTIUHXZTNKHJRL-NRFANRHFSA-N 395.522 3.922 0 40 GHAB Cc1noc(-c2cc(=O)n(CC(=O)Nc3cccc(C)c3C)c3ccccc23)n1 49401259 JHZVWRHDCISOKB-UHFFFAOYSA-N 388.427 3.615 0 40 GHAB CC(=O)c1cc(CCC(=O)N2CCCN(Cc3ccccc3C)CC2)oc1C 40089097 HKCMLYSWAGNBJF-UHFFFAOYSA-N 382.504 3.766 0 40 GHAB O=C(c1snnc1-c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 225790813 XPQNHYBBAFLTTA-XBXARRHUSA-N 396.541 3.738 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1C(C)C 224636111 NZLNGZAZRCYHSV-UHFFFAOYSA-N 383.897 3.829 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 238942608 WCXBJFPBYIUSJH-NSHDSACASA-N 394.328 3.852 0 40 GHAB Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)c3ccnn3C)CC2)c1 96183695 VLOMVCYHNMXBHC-HSZRJFAPSA-N 388.515 3.584 0 40 GHAB Cc1ccc(N2CCC[C@H](C(=O)Nc3ccc(Br)cc3F)C2)nn1 90592227 VYAROJRILGYINR-LBPRGKRZSA-N 393.260 3.542 0 40 GHAB COc1ccc(C(=O)N[C@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)cc1 96296959 DQJMXODEPCWDSW-LLVKDONJSA-N 384.363 3.679 0 40 GHAB biogenic,in-vitro NC(=O)C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)c2ccccc2)C1 257212695 CEOXLQIVSSPASV-OAQYLSRUSA-N 386.879 3.517 0 40 GHAB Cc1cc(CN2CCc3c(O)nc(N4CCC[C@@H](C)C4)nc3C2)c(C)n1C1CC1 257298920 RNWIBJDZHZCFTL-OAHLLOKOSA-N 395.551 3.730 0 40 GHAB Cc1cc(Br)c2[nH]nc(NC(=O)[C@@H]3CCC[C@@H](N(C)C)C3)c2c1 1149636204 YYOYVUXQCQSODC-VXGBXAGGSA-N 379.302 3.693 0 40 GHAB O=C([C@H]1Cc2ccc(Cl)cc21)N1CCC(c2nc(-c3ccccn3)no2)CC1 630893659 JSSRSVAQLCJAAK-KRWDZBQOSA-N 394.862 3.831 0 40 GHAB O=c1cc(CN2CCN(c3ccccc3F)CC2)c2cc(Cl)c(O)cc2o1 54106037 HIWQYKORDZZMGD-UHFFFAOYSA-N 388.826 3.613 0 40 GHAB biogenic COc1ccc(CN2Cc3ccccc3OC3(CCN(C)CC3)C2)cc1OC 72394170 XQJCSMMNMDXIGA-UHFFFAOYSA-N 382.504 3.563 0 40 GHAB CN(CC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1)C1CCCC1 1615157389 MZZOTELEWCYIFT-UTKZUKDTSA-N 387.543 3.906 0 40 GHAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@@H](C(C)C)[C@@H](CO)[C@H]3[C@H](CO)C[C@@H]12 5084830 LSEZDZDSBYJFOM-MFXNVJLZSA-N 380.569 3.891 0 40 GHAB Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc(F)cc1Cl 5352651 LILZOCSGPSLAMV-LLVKDONJSA-N 391.859 3.883 0 40 GHAB O=C(c1ccc(F)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1 5626505 LZQFUHXPDOKITB-UHFFFAOYSA-N 393.443 3.966 0 40 GHAB COc1ccc(C2(C(=O)N3CCC(c4ccc5c(c4)OCO5)CC3)CC2)cc1 12114005 QUMMOALKHPVTNH-UHFFFAOYSA-N 379.456 3.862 0 40 GHAB COc1ccccc1C1(O)CCN(Cc2cccc(-n3nc(C)cc3C)c2)CC1 12328539 YRXJPZVCSVKEJL-UHFFFAOYSA-N 391.515 3.981 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715426 HAAMAUQLHWWOSC-KRWDZBQOSA-N 398.887 3.971 0 40 GHAB C[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 16109049 QNYOZCJAZMAOCY-CYBMUJFWSA-N 397.949 3.854 0 40 GHAB COc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ncccc2C)c(OC)c1 19237690 NCJRGAYLHHSTFT-LIMIJEPZSA-N 382.504 3.527 0 40 GHAB O=C(CCn1c(-c2ccncc2)cc2cccnc21)NCCc1cccc(F)c1 19293760 KZPCMJDSIVEHQM-UHFFFAOYSA-N 388.446 3.986 0 40 GHAB CC[C@H](C(=O)NCC1(c2cc(C)cc(C)c2)CCOCC1)n1nc(C)cc1C 19499477 VJEKQLHUQDKPLR-OAQYLSRUSA-N 383.536 3.932 0 40 GHAB CCCN1CCN(CC2CC2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O 19503334 FJPOMCPEMSPQBT-JOCHJYFZSA-N 377.532 3.872 0 40 GHAB Cc1nn(-c2cccc(C(=O)NCC3CCN(C(C)C)CC3)c2)c(C)c1Cl 19578430 JUHAVQJJWWTGGT-UHFFFAOYSA-N 388.943 3.993 0 40 GHAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1ccc2c(c1)OCC(=O)N2 19666228 ZMQYGPHJJVLSLK-UHFFFAOYSA-N 383.404 3.841 0 40 GHAB O=C(c1ccncc1)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 19703604 JAAYTQQMDUTVGT-FQEVSTJZSA-N 380.423 3.543 0 40 GHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c1 8369066 YDWMDDOZVJBZTH-WOJGMQOQSA-N 396.468 3.987 0 40 GHAB COc1ccc(Br)cc1/C=C1\N=C(c2ccccc2OC)OC1=O 4589618 ZUENJUTUGKAPAE-UVTDQMKNSA-N 388.217 3.811 0 40 GHAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1NS(=O)(=O)c1ccc(F)cc1 226353178 DTCGBOOIGCJTID-UHFFFAOYSA-N 375.377 3.893 0 40 GHAB C[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccccn2)cc1 12221993 PDKFGSBDDQLORA-CRAIPNDOSA-N 387.487 3.544 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 35596830 FUUZWZULGCSMMN-UHFFFAOYSA-N 391.924 3.641 0 40 GHAB CC1(C)CC(=O)c2sc(NC(=O)[C@H]3CC[C@@H](C(=O)OC(C)(C)C)C3)nc2C1 593030026 HNGXQXZRUHOXRM-NWDGAFQWSA-N 392.521 3.995 0 40 GHAB Cc1nc(S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n(C2CCCC2)c1C 7178855 PEALFOSAUOYGAB-CYBMUJFWSA-N 399.520 3.904 0 40 GHAB O=S(=O)(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1Cl 31721758 PRLSEZHUIAGIMB-UHFFFAOYSA-N 399.921 3.857 0 40 GHAB C[C@@H]1CCc2sc(NC(=O)c3ccc(Br)cc3)c(C(N)=O)c2C1 1518468 ZDCUQJZIWZDMGR-SECBINFHSA-N 393.306 3.987 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)Nc1ccccc1F 4164401 UKAACSPRUYLWIL-UHFFFAOYSA-N 397.410 3.800 0 40 GHAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1cccc(C(F)(F)F)c1 5075918 NDTHAQJCBAGWIB-UHFFFAOYSA-N 398.406 3.806 0 40 GHAB COc1ccc(CC(=O)NC[C@@H](O)c2ccc(-c3ccsc3)cc2)cc1OC 1775966801 ZVENHAXKGMLUKY-LJQANCHMSA-N 397.496 3.825 0 40 GHAB Cc1cc(OC[C@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3C)C2)ccn1 1775971469 OYEQQHPGDWXZHE-IBGZPJMESA-N 390.487 3.815 0 40 GHAB COc1ccccc1OCC(=O)OCc1cc(-c2ccc3c(c2)C[C@H](C)O3)on1 38757807 QYVHEXNNTREBFX-AWEZNQCLSA-N 395.411 3.796 0 40 GHAB CSc1ncccc1C(=O)NC[C@](O)(c1ccsc1)c1cccs1 238968129 ZDUIYFKXGJHXTN-KRWDZBQOSA-N 376.528 3.592 0 40 GHAB COC(=O)c1ccccc1C(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 44204298 PHFAYNTWIXOFER-CYBMUJFWSA-N 397.456 3.605 0 40 GHAB O=C(CS(=O)(=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F 40106074 AFINOPHEVZQRCG-UHFFFAOYSA-N 394.226 3.825 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)CCCC(=O)N3)n1C 32325095 GEJRNEOZIUCKSY-UHFFFAOYSA-N 396.472 3.633 0 40 GHAB Cc1c([C@H](C)NC(=O)Cn2nc(C)c3ccccc3c2=O)oc2ccccc12 46650416 YTHQZCSHDLDWFR-HNNXBMFYSA-N 375.428 3.637 0 40 GHAB Cc1cc2cc(C)c3nnc(SCC(=O)NCc4ccco4)n3c2cc1C 1223233 QJYCMMYCCYJTBA-UHFFFAOYSA-N 380.473 3.809 0 40 GHAB Cc1ccc2c(c1)nnn2C1CCN(C(=O)c2ccccc2Br)CC1 1380726 VJRPKSCZFLZZOU-UHFFFAOYSA-N 399.292 3.980 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 32857708 GLNNUPZKYYHRHJ-ORAYPTAESA-N 383.835 3.752 0 40 GHAB O=C(Nc1cccc(NC(=O)[C@H]2COc3ccccc3O2)c1)c1cccs1 32899814 MSMQOMIJVLBNFJ-QGZVFWFLSA-N 380.425 3.779 0 40 GHAB Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc(S(C)(=O)=O)c3)s2)o1 32994259 RYBDXKVDQCBIPG-UHFFFAOYSA-N 376.459 3.676 0 40 GHAB C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)c1cc2ccccc2o1 32915986 RNHHOTNTYWNNBE-GOSISDBHSA-N 377.488 3.763 0 40 GHAB CCC(C)(C)NC(=O)[C@H](OC(=O)c1cccs1)c1ccc(OC)c(OC)c1 4901684 GWNPTTGIFLHVGP-QGZVFWFLSA-N 391.489 3.968 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)Nc1cc(F)ccc1F 7405128 KBEHQBRRDUDJHG-UHFFFAOYSA-N 378.194 3.537 0 40 GHAB COc1cc(/C=C/C(=O)OC[C@@H]2CCCO2)ccc1OCc1c(C)noc1C 21976315 SSWYDOJJRARHJF-LKUPDRCFSA-N 387.432 3.614 0 40 GHAB Cc1ccc(C(=O)N2CCc3ccccc32)cc1S(=O)(=O)N1CCCCCC1 10449377 YKSJJDKPSLMAMR-UHFFFAOYSA-N 398.528 3.763 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(C)cc1C 8414590 NRTVSFBIDNXFIM-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 640292 RLCPABBCSQBDBA-UHFFFAOYSA-N 377.853 3.519 0 40 GHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1cc(F)ccc1Br 10772586 YQJJAPSCTUZMDM-UHFFFAOYSA-N 391.240 3.867 0 40 GHAB COc1ccc(-c2cnc(NCc3ccc(OC)c(OC)c3OC)n2C)cc1 819117 ZKLOVJWUKMMNNT-UHFFFAOYSA-N 383.448 3.734 0 40 GHAB O=C(CCNC(=O)c1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 23299367 MHROXKWKMUFCJU-UHFFFAOYSA-N 395.381 3.657 0 40 GHAB CCOc1ccc(/C=C/C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1OCC 938682 CWTQNZACUIZOON-HQPKTYMTSA-N 389.477 3.839 0 40 GHAB CN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2ccccc2Cl)=N1 57401904 NWNLWMHYPCDSRL-UHFFFAOYSA-N 388.880 3.706 0 40 GHAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cn2ccccc2=O)o1 23703064 IELGOMGMTOZQPS-UHFFFAOYSA-N 377.425 3.865 0 40 GHAB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)NC(=S)N1C(=O)c1ccccc1 12504628 NFYJNLHVQSZLTR-NTEUORMPSA-N 377.252 3.891 0 40 GHAB O=C(NCCCOC1CCCCC1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 24481036 BFDBUGIHMFQAFP-HNNXBMFYSA-N 378.900 3.549 0 40 GHAB COc1ccc(NC(=S)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1 1336873 VTSADJNPPXWQCG-UHFFFAOYSA-N 384.501 3.996 0 40 GHAB Cc1nc2ccccc2n1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 43948542 ZPDFEKLYZMOEEB-CYBMUJFWSA-N 394.500 3.598 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=S)Nc3ccccc3C)n2)cc1OC 12654321 QSDFENRVIYBYQI-UHFFFAOYSA-N 398.488 3.891 0 40 GHAB CC(=O)c1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)cc1 57406473 PGPVLWOQQWZONB-UHFFFAOYSA-N 390.483 3.935 0 40 GHAB Cc1ccc(CN(C)C(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 20450108 BHJNQTMPBLMOBA-UHFFFAOYSA-N 396.512 3.573 0 40 GHAB CN(CCOc1ccccc1F)C(=O)c1cnn(Cc2ccccc2Cl)c1 27159279 OFWSXZKLMAUXRG-UHFFFAOYSA-N 387.842 3.875 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCOc3c(Cl)cccc32)C1 58168735 ZEOGDKNJZSFTIY-BBRMVZONSA-N 378.900 3.565 0 40 GHAB Cc1c(NC(=O)c2ccc(OC(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C 3360345 PQTMOXRKWLFJIV-UHFFFAOYSA-N 391.349 3.635 0 40 GHAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(-n2ccnc2)nn1 58245086 KZYYBCNHHFDYFJ-UHFFFAOYSA-N 396.863 3.615 0 40 GHAB O=C(CN1CCN(CCc2ccccc2)CC1)Nc1cccc(Cl)c1Cl 22934105 PSPUUSJHEBELGS-UHFFFAOYSA-N 392.330 3.792 0 40 GHAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCCc4cccc(C)c43)c2C)n1 45341720 GOBORKAOZPEEAJ-UHFFFAOYSA-N 389.503 3.726 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(F)cc1F 12733762 NLLHUUODLNBDJD-CYBMUJFWSA-N 393.409 3.513 0 40 GHAB COc1cc(NC(=O)c2cnc(Cl)c(Cl)c2)ccc1N1CCCC1=O 11445739 XHJJALUIHQEIKE-UHFFFAOYSA-N 380.231 3.776 0 40 GHAB Cc1cccc(NC(=O)Cc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)c1 12802260 PTPBLCLOVILJPT-UHFFFAOYSA-N 393.468 3.939 0 40 GHAB COc1cccc(-n2ccnc2SCC(=O)N[C@@H]2CCOc3ccccc32)c1 8746365 DHJUCHKXYVCUIM-GOSISDBHSA-N 395.484 3.613 0 40 GHAB CCn1c(C)cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1C 8713259 JPJKERMJUUVCFD-ZDUSSCGKSA-N 386.473 3.597 0 40 GHAB CCOc1ccc(CN(C)C(=O)Cn2c(S)nnc2-c2cccc(C)c2)cc1 12918865 UDEHUOVMANRHJL-UHFFFAOYSA-N 396.516 3.600 0 40 GHAB COc1ccc(CN2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1OC 3648965 OWIFIXXMYGXSBE-FQEVSTJZSA-N 382.504 3.574 0 40 GHAB CCC(CC)NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 13058855 ANVSAGMVXRGRAI-UHFFFAOYSA-N 393.837 3.534 0 40 GHAB Cc1cccnc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 18231302 IGHIJGVRTBWTBU-UHFFFAOYSA-N 387.505 3.596 0 40 GHAB C[C@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)Cc4ccccc4)c3)C(=O)[C@@H]2C1 18241456 GJKUHIJCXMJRBY-CWFSZBLJSA-N 377.440 3.760 0 40 GHAB CN(Cc1ccc(OC[C@@H]2CCCO2)cc1)Cc1cn(C)nc1C(F)(F)F 93989145 GGJIPDBFEHFIKK-KRWDZBQOSA-N 383.414 3.629 0 40 GHAB CCOC(=O)c1sc2ncn(Cc3ccc(F)cc3Cl)c(=O)c2c1C 5060368 OQWVOSYJOFTVFT-UHFFFAOYSA-N 380.828 3.784 0 40 GHAB CC(C)OC(=O)[C@@H](C)n1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 5009924 YHQWNCWGQXMLFV-NEPJUHHUSA-N 377.510 3.517 0 40 GHAB COCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1C1CCCC1 13718738 OELRGVCBLSNBMQ-UHFFFAOYSA-N 390.505 3.638 0 40 GHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nncn1C(C)C 5416942 CIMKYDSJPQZXSO-UHFFFAOYSA-N 394.522 3.705 0 40 GHAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1 4676323 KOYYYTQRELJTQS-INIZCTEOSA-N 387.439 3.696 0 40 GHAB CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cccc(F)c1 4736293 WSEWYALUKOGSIA-UHFFFAOYSA-N 381.436 3.633 0 40 GHAB CC(C)n1c(CNC(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)n[nH]c1=S 67072107 MLCGDXWCWKNNCW-ZZXKWVIFSA-N 390.896 3.823 0 40 GHAB COc1ccc(-c2nnc3sc(COc4ccccc4C)nn23)cc1OC 4938728 HNRSAZFHANTBOC-UHFFFAOYSA-N 382.445 3.757 0 40 GHAB CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc2c(c1)CCC2 7218248 LPSMCWLUROTGSI-UHFFFAOYSA-N 380.307 3.759 0 40 GHAB COc1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cn1 15658692 XDFMXCZLWXXANQ-UHFFFAOYSA-N 395.484 3.908 0 40 GHAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc21 15867512 XXIYVEIYZPUCOP-UHFFFAOYSA-N 377.853 3.539 0 40 GHAB C[C@H](Oc1ccccc1)c1nnc(S[C@H](C)C(=O)Nc2nccs2)n1C 7871128 IZUJCSJLVHXPEG-NWDGAFQWSA-N 389.506 3.531 0 40 GHAB CCCCNc1nnc(SCC(=O)c2cc(OC)c(OC)c(OC)c2)s1 7974573 HVCNVEFOKHXWMH-UHFFFAOYSA-N 397.522 3.751 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)c3cc(Br)ccc3F)cc2NC1=O 8015488 JJVWPWJEEMEMJF-MRVPVSSYSA-N 379.185 3.560 0 40 GHAB Fc1ccc(-n2ncc3c(NCc4ccc(Cn5cccn5)cc4)ncnc32)cc1 9335638 VTXGUOFERYDOHG-UHFFFAOYSA-N 399.433 3.812 0 40 GHAB O=C(CN(CC(=O)NC1CCCCC1)C1CCCCC1)NC1CCCCC1 9386768 QPZGYFGAWMOBSY-UHFFFAOYSA-N 377.573 3.519 0 40 GHAB CCN(CC)[C@@H](CNC(=O)Nc1ccc(-c2nncn2C)cc1)c1ccsc1 69659431 NHLNBPAVBDRLOL-SFHVURJKSA-N 398.536 3.748 0 40 GHAB Cc1cc(C)n(-c2ccc(NC(=O)NC[C@@H]3Cc4ccccc4O3)cc2F)n1 84105068 UBRHISANIAQPPE-KRWDZBQOSA-N 380.423 3.753 0 40 GHAB COc1cc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(C)C)ccc1OC(F)F 95474011 QXKHDJNHOYFROA-CQSZACIVSA-N 399.419 3.792 0 40 GHAB Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1cc(-n2ccnc2)ccn1 95468023 OTFXYIVIPDKGMJ-FQEVSTJZSA-N 387.443 3.532 0 40 GHAB O=C(c1ccc(F)cc1Cl)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211863 JJBKBBRLFIBEQB-UHFFFAOYSA-N 390.871 3.893 0 40 GHAB COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)O)c(OC)c1 89632055 SQUNRZHIXCPCAD-LJQANCHMSA-N 396.443 3.555 0 40 GHAB Cc1cc(-c2ccccc2)nn2c(SCC(=O)Nc3ccc(F)cc3)nnc12 27300785 LKSHVPHJYZTVQK-UHFFFAOYSA-N 393.447 3.970 0 40 GHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2OC(F)F)cc1 408628961 YRHMYNVSCJZXKY-DHZHZOJOSA-N 378.400 3.823 0 40 GHAB COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@H]2C)OCO4)c1O 31430166 HRGWMGTYIRQYMO-JYYJXNPCSA-N 383.444 3.712 0 40 GHAB CN1C(=O)S/C(=C\c2cc(Br)cc(Br)c2O)C1=O 408810744 LDJJGOKWWZIKBN-BAQGIRSFSA-N 393.056 3.583 0 40 GHAB CC(C)COc1cn(-c2ccccc2)nc1C(=O)NCc1ccc2c(c1)OCO2 502886629 HMSLCYCJKRWXHB-UHFFFAOYSA-N 393.443 3.566 0 40 GHAB CC[C@@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1cccc(C(C)=O)c1 32579417 ONYREUQUXKWFEA-QGZVFWFLSA-N 395.488 3.589 0 40 GHAB NCc1cccc([C@@H](C(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)c1 71791527 SIRNVMWQPXZOLL-QFIPXVFZSA-N 387.435 3.669 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 36663890 RMJNLOWQRFEQEO-SFHVURJKSA-N 394.906 3.838 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 35078174 GBKCIQCWMRAFSO-GZTJUZNOSA-N 382.441 3.679 0 40 GHAB Cc1ccc(NC(=O)Cc2ccc3c(c2)CCCO3)c(OCCn2cccn2)c1 72392119 STSPMRMZLDCYFP-UHFFFAOYSA-N 391.471 3.777 0 40 GHAB C[C@@]12CCCN(C(=O)c3nsc(Cl)c3Cl)[C@H]1CCc1cncnc12 72342438 OYYFZAYZNFEFCL-MGPLVRAMSA-N 383.304 3.749 0 40 GHAB CN(C(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1)c1ccccc1 71286055 WIEPMVCFEYOYBK-UHFFFAOYSA-N 388.423 3.843 0 40 GHAB O=C(Nc1cccc(CN2CCOCC2)c1)c1cc(Br)ccc1F 48285780 GHZRNSRWGQSMAV-UHFFFAOYSA-N 393.256 3.673 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)nc1 40086535 XJSZUBWHNJVGLR-HNNXBMFYSA-N 378.259 3.940 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(OC)cc1 225123357 GVTZYQBJIZUJSF-OALUTQOASA-N 396.531 3.878 0 40 GHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 224082669 LUWCVOPUFZUKFW-LJQANCHMSA-N 396.531 3.785 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 224972250 QKMHQBRWOLLWHV-JOCHJYFZSA-N 398.522 3.990 0 40 GHAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC)cc1 223495749 IUHGHRNIAKWKOU-JOCHJYFZSA-N 380.532 3.778 0 40 GHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1C1CCCC1 223613640 FRFNHQFZNSOYPO-SFTDATJTSA-N 398.576 3.970 0 40 GHAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 223442477 UFZMOLUWNKBEFD-PMACEKPBSA-N 378.501 3.601 0 40 GHAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc3ccccc3c2)c1 40718052 OGEYYVRZGAMTJW-UHFFFAOYSA-N 390.439 3.715 0 40 GHAB COc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3)C3(CCOCC3)C2)cc1 96052260 SMWXKWLOJMDKOT-NRFANRHFSA-N 380.488 3.563 0 40 GHAB Cc1ccccc1C(=O)N1C[C@@H](C(=O)Nc2ccccc2)C2(CCOCC2)C1 96078691 BVOJSHXKHDNSTA-FQEVSTJZSA-N 378.472 3.503 0 40 GHAB CC1(C)C[C@H](NC(=O)Nc2ccc3c(c2)C(=O)NCC3)c2cc(F)ccc2O1 650043363 ZAMAMAOZUBDLCS-KRWDZBQOSA-N 383.423 3.536 0 40 GHAB CCCc1ccc(C(=O)N2C[C@@H]3[C@@H](CC[C@]34NC(=O)c3cc(C)ccc3N4)C2)o1 72327517 ORAPJUQUHFVSJM-HOSQHVHZSA-N 393.487 3.574 0 40 GHAB CC1CCN(c2ccnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)n2)CC1 1554502612 UAFCNLREDYPSNN-GVDBMIGSSA-N 376.570 3.746 0 40 GHAB O[C@H](CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2ccccc2c1 12292302 ZXDHLFIMIQVJNC-OAQYLSRUSA-N 391.467 3.586 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N(CC)CC 14399628 YNGDPMAVUCCQGG-HXUWFJFHSA-N 384.476 3.973 0 40 GHAB COc1cc(CNC(=O)CSc2ccc(Cl)cc2)cc(OC)c1OC 15137337 XGRXRJRKHGBFFU-UHFFFAOYSA-N 381.881 3.774 0 40 GHAB Cc1ccn2c(=O)cc(COc3ccc(NC(=O)c4ccccc4)cc3)nc2c1 15865474 HQBJCSLWIIMGHT-UHFFFAOYSA-N 385.423 3.834 0 40 GHAB CNc1cc(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)ccn1 19592074 NZIAWFGGXONQPT-KCZVDYSFSA-N 378.520 3.606 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2cc(C)cc(C)c2)cc1 19947469 DQGDSSHUOYRPSJ-UHFFFAOYSA-N 388.533 3.579 0 40 GHAB CO[C@H]1CC[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)CC1 257258632 KUVZZLHENCPOBW-CNFLGBHRSA-N 388.527 3.858 0 40 GHAB C[C@@]1(NC(=O)CCO)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)c(F)c2)C1 1848357210 OUQGVMFVUHDUNH-QKNQBKEWSA-N 393.405 3.954 0 40 GHAB O=C(c1ccccc1Cl)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037985574 OKWDFXJPTNKCFQ-QFIPXVFZSA-N 398.890 3.768 0 40 GHAB CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1 1080996 GFTAZVBXYXHEES-UHFFFAOYSA-N 376.460 3.915 0 40 GHAB CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccccc1C)C[S@](=O)C2 2724879 WJWWOADYSGKMJX-NDEPHWFRSA-N 395.484 3.594 0 40 GHAB O=C(COc1ccc(Cl)cc1)N1CCN=C1SCc1cccc(F)c1 4119895 DRGHGGFSLHRSOG-UHFFFAOYSA-N 378.856 3.990 0 40 GHAB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cc4ccccc4o3)co2)n1 4377378 KBQGJZMWVDPNNN-UHFFFAOYSA-N 394.408 3.996 0 40 GHAB COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccc(Cl)cc2)o1 10336510 GXDXLQATMIWNSL-UHFFFAOYSA-N 392.864 3.749 0 40 GHAB COc1cc(-c2cc(C(=O)O)c3nc(-c4ccccc4)[nH]c3n2)cc(OC)c1O 11694705 ITQFYKQTIBSKDH-UHFFFAOYSA-N 391.383 3.713 0 40 GHAB COc1ccc(CCC(=O)NCc2cc(-c3ccc(OC)c(OC)c3)on2)cc1 12639126 JRGKZYMZCMBHIH-UHFFFAOYSA-N 396.443 3.616 0 40 GHAB CCCN1C(=O)CCc2cc(NC(=O)NCCc3ccc(OC)cc3)ccc21 22507444 PMXZADCTGXQOEZ-UHFFFAOYSA-N 381.476 3.749 0 40 GHAB CCSc1ccccc1C(=O)NC[C@@](O)(c1ccccc1)C1CCOCC1 575611555 FZUOUTDFYITSQR-JOCHJYFZSA-N 385.529 3.843 0 40 GHAB Cc1ccc(CC(=O)OCC(=O)Nc2ccc(C)cc2Br)cc1 7069725 PUZBHVJAIBKZFJ-UHFFFAOYSA-N 376.250 3.790 0 40 GHAB CN1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)[C@H](c2ccccc2)C1 30030802 JXAMDACGUFRPMN-QHCPKHFHSA-N 377.532 3.801 0 40 GHAB CC(C)(C)c1noc(CCC(=O)Nc2cccc(OCc3ccncc3)c2)n1 40134174 MJHPVSKTPXYEEU-UHFFFAOYSA-N 380.448 3.912 0 40 GHAB CCN(CC)C(=O)[C@H](Sc1nc2nc(C)c(C)c(C)n2n1)c1ccccc1 40119158 WMZYDXJCCXCVCZ-QGZVFWFLSA-N 383.521 3.751 0 40 GHAB Cc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)nc1 40143861 AIJVMBKUCLQJBS-UHFFFAOYSA-N 389.381 3.788 0 40 GHAB Cc1cccc(N2C[C@H](C(=O)Nc3ccnn3Cc3cccs3)CC2=O)c1C 40160116 PQFHKNQUNMPIHB-MRXNPFEDSA-N 394.500 3.601 0 40 GHAB O=C1[C@H](Oc2ccccc2F)[C@H](c2ccc(F)c(F)c2)N1C[C@@H]1CCCO1 40157659 YFWSFOIEYUNXMN-FASAQXTFSA-N 377.362 3.614 0 40 GHAB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nc(CCCO)nn32)cc1 100806447 LPDJQVVVUISZEY-LJQANCHMSA-N 396.878 3.921 0 40 GHAB O=C(NCc1ccc(Cl)cc1)c1nc(-c2ccc(Cn3ccnc3)cc2)no1 31808795 SELCMPPUGOQRCI-UHFFFAOYSA-N 393.834 3.565 0 40 GHAB Cc1ccc(Cn2ncc3c2N=C(O)C[C@]32C(=O)N(C)c3ccc(C)cc32)cc1 32101235 WFYKKMQXWACHGP-HSZRJFAPSA-N 386.455 3.802 0 40 GHAB O=C(Nc1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1)[C@@H]1CCCO1 32367395 OLSUCDURYFSYFQ-NRFANRHFSA-N 378.472 3.824 0 40 GHAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 2622928 AMNOMCKTEXQRJF-QFIPXVFZSA-N 397.450 3.529 0 40 GHAB Cn1nnnc1S[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 2619212 GHKRJTVBSBTRDB-AWEZNQCLSA-N 393.394 3.701 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)no1 779155 UYCDGLWITGSFAC-UHFFFAOYSA-N 395.444 3.614 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)cc2NC1=O 46501062 YFODCTPGWCYUIQ-SUMWQHHRSA-N 398.484 3.929 0 40 GHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(C)(=O)=O)cc1 32894395 MJSBKJXYOXRRIU-CQSZACIVSA-N 375.490 3.794 0 40 GHAB COc1cc(CNC(=O)[C@H]2CSCCS2)ccc1OCc1ccccc1 78738957 QPTVFCPSYZSYPU-LJQANCHMSA-N 389.542 3.739 0 40 GHAB CCc1ccc2nc(NC(=O)N(C)Cc3nc(-c4cccnc4)no3)sc2c1 79093512 FMGYAXVHCKFWMI-UHFFFAOYSA-N 394.460 3.968 0 40 GHAB CC(C)=CC(=O)OCC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O 21735177 CXHVBMSXVNITMQ-FQEVSTJZSA-N 377.868 3.646 0 40 GHAB Cc1ccc(C(=O)NC(=C(Cl)Cl)S(=O)(=O)c2ccc(F)cc2)cc1 2700872 IVPHNUJESKPSMS-UHFFFAOYSA-N 388.247 3.942 0 40 GHAB CCCc1nnc(NC(=O)c2cc(=O)c3cc(Br)ccc3o2)s1 21807412 HHYZUQONBJKBMZ-UHFFFAOYSA-N 394.250 3.612 0 40 GHAB Nc1c(C(=O)NCc2ccccc2)sc2nc3cc4c(cc3cc12)OCCO4 4848845 XWMJVSHVNFZDEW-UHFFFAOYSA-N 391.452 3.733 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 4994613 MRXSHMNNKVMOCU-FHLIZLRMSA-N 382.526 3.946 0 40 GHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(Br)c1 6954703 JVZGNGPAMGOLTC-UHFFFAOYSA-N 395.278 3.593 0 40 GHAB CCc1nc(NC(=O)Cc2csc(-c3ccccc3)n2)sc1C(=O)OC 7995797 VPSWTDNLKTUWRE-UHFFFAOYSA-N 387.486 3.797 0 40 GHAB COc1cc(Br)cc2cc(C(=O)N3CCCCCC3)c(=O)oc12 644537 MMIUXUSJPMDRQR-UHFFFAOYSA-N 380.238 3.580 0 40 GHAB CCOc1ccc(N[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 52658826 SOLNWUJGOMNRNT-SFHVURJKSA-N 397.519 3.633 0 40 GHAB CC(=O)Nc1ccc(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccccc2)cc1 1013799 IIKLCNKSFPPRRC-FQEVSTJZSA-N 393.468 3.757 0 40 GHAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCC[C@@H]2c2cccs2)C1=O 23818408 NYPCHHPZHDFKOM-GCJKJVERSA-N 395.528 3.798 0 40 GHAB O=S(=O)(CCN(Cc1ccccc1)C1CC1)c1ccc(Br)cc1 25126437 MJNGRAUAJJIZKH-UHFFFAOYSA-N 394.334 3.887 0 40 GHAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)n1cnnn1)c1ccc(Cl)cc1Cl 25537565 RLERULFUZVGTEF-PXAZEXFGSA-N 390.274 3.641 0 40 GHAB CCc1ccc([C@H](NC(=O)Cn2cccc(C(F)(F)F)c2=O)C(C)C)cc1 25249526 IFBYRWSNGRPYNL-GOSISDBHSA-N 380.410 3.943 0 40 GHAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccncc1 57341592 AQPWZCJIHLKYTJ-FQEVSTJZSA-N 393.874 3.913 0 40 GHAB CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1cccs1 3291444 XFKZKWQPEXDERY-UHFFFAOYSA-N 379.898 3.806 0 40 GHAB O=C(NCc1ccccc1OC(F)F)NC1CCN(Cc2ccccc2)CC1 10035943 IUGGPZYMSUJHGD-UHFFFAOYSA-N 389.446 3.752 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1 2141450 JQDCEIHQTDYWJN-UHFFFAOYSA-N 395.436 3.558 0 40 GHAB CCOc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(OCC)cc1C 27824183 YJTNTVRBOWEWMP-HNNXBMFYSA-N 375.490 3.932 0 40 GHAB C[C@H]1CCN(C(=O)COC(=O)Cc2n[nH]c3ccccc23)c2ccccc2S1 58319810 BKNSSNBRKLOUON-AWEZNQCLSA-N 395.484 3.566 0 40 GHAB CCOc1ccc(NC(=O)CSc2nncn2-c2ccccc2)cc1OCC 3344060 FPVFLKZZORCSHK-UHFFFAOYSA-N 398.488 3.796 0 40 GHAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCCCC1 10041639 WKVIGJZENLJRLF-PXNSSMCTSA-N 394.581 3.917 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10336453 LMZBCPLUWLBUGI-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB CCC[C@@H](C)NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10337338 QBIKILNJMVGFJJ-OAHLLOKOSA-N 392.496 3.710 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC)c(NC(=O)CC)c2)cc1 408697042 GLDDSKIPWHHEMZ-UHFFFAOYSA-N 392.477 3.633 0 40 GHAB CN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 3370804 GCDSFMNHVMCFFF-UHFFFAOYSA-N 386.908 3.886 0 40 GHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@H]1CCN(Cc2ccccc2)C1 12731714 WTFMRMNWECCQTD-FQEVSTJZSA-N 393.462 3.804 0 40 GHAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(OC)cc2)c1C 3474733 GQWZLFZVTVPTJW-UHFFFAOYSA-N 378.428 3.910 0 40 GHAB CCc1c(C(=O)NCC(=O)Nc2cccc(Cl)c2C)cnn1-c1ccccc1 12980597 GAILKQIWLQJVDS-UHFFFAOYSA-N 396.878 3.765 0 40 GHAB Cc1nc2cc(C(=O)OCC(=O)N3CCC[C@@H](C)C3)ccc2n1-c1ccccc1 4289383 NFJREJLQVGSNEV-MRXNPFEDSA-N 391.471 3.749 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1 14201640 QFCIOMNVPIWUBO-UHFFFAOYSA-N 384.860 3.762 0 40 GHAB O=c1c2ccccc2nnn1Cc1cn(-c2ccccc2)nc1-c1ccccc1 5462534 PXOOZNILNBQCCM-UHFFFAOYSA-N 379.423 3.693 0 40 GHAB CCc1ccc(OCC(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 6604446 IXELFEUANPEHOJ-UHFFFAOYSA-N 393.472 3.741 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc2C1)c1cccs1 6602284 JTJLVGZNMQRFAB-HXUWFJFHSA-N 390.508 3.674 0 40 GHAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3cc(Cl)ccc3OC)n2)cc1 6747769 CSPOKPNCRNVRQK-UHFFFAOYSA-N 399.834 3.546 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cccc(C)c1)S2 6812091 NFZMRMDAYCMYAP-ROUUACIJSA-N 397.479 3.686 0 40 GHAB Cc1nc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cs1 5834520 AXMNQQGQACRAMS-UHFFFAOYSA-N 380.882 3.810 0 40 GHAB COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)cc(OC)c1OC 6977977 UUXHFOJLXAGANK-FQEVSTJZSA-N 378.428 3.627 0 40 GHAB CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C 67209063 FZWWXOFQBBTJAF-ZDUSSCGKSA-N 387.530 3.762 0 40 GHAB CC(=O)Nc1ccc(C(=O)CSc2ccc3c(c2)OCCCO3)c(F)c1 7090971 XYYBAHXYJMNPIR-UHFFFAOYSA-N 375.421 3.920 0 40 GHAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3nc4c(C)cccc4s3)ccc21 7279292 ACZADZXORJULHX-UHFFFAOYSA-N 378.457 3.895 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C)cc1Cl 7775127 LHLYQRYBEZWFSN-JTQLQIEISA-N 392.868 3.856 0 40 GHAB O=C(O)COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 7884210 HBYHDOMBCRAOPH-QFIPXVFZSA-N 388.423 3.917 0 40 GHAB Cc1ccc(NC(=O)NC(=O)CN(C)CCOc2ccc(Cl)cc2)c(C)c1 8120660 IXHBWPKKOUKBBH-UHFFFAOYSA-N 389.883 3.616 0 40 GHAB O=C(Nc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857097 QTDWGWYCXSEJMC-MRXNPFEDSA-N 392.908 3.521 0 40 GHAB COc1ccc2nc(SCc3nc(N)nc(Nc4ccc(F)cc4)n3)[nH]c2c1 8461614 GOZCMBAFTHIBMC-UHFFFAOYSA-N 397.439 3.514 0 40 GHAB COc1cccc(CNC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1 9532382 WHDYBKDIEOVMGI-UHFFFAOYSA-N 399.447 3.707 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 71886848 QRKHNLJMYPPFTP-SNPRPXQTSA-N 377.362 3.765 0 40 GHAB COc1ccc([C@@H](NC(=O)N(C)C[C@@H]2COc3ccccc3O2)C(C)C)cc1 9867535 ZZUQVFROKGFFLD-NQIIRXRSSA-N 384.476 3.874 0 40 GHAB CCOc1ccc2[nH]c(=O)c([C@@H]3CC(c4cccc(C)c4)=NN3C(C)=O)cc2c1 97165223 RKPNKXOKMFSKOI-QFIPXVFZSA-N 389.455 3.933 0 40 GHAB C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@H](Nc4ccccc4)C3)cc(Cl)c2O1 84718076 ZMJATNZXZHJBLO-CJNGLKHVSA-N 392.908 3.539 0 40 GHAB COc1ccc(CCc2nc3nccc(-c4ccc(OC)c(OC)c4)n3n2)cc1 95480326 IJKXZJMVWXZVTF-UHFFFAOYSA-N 390.443 3.602 0 40 GHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccn2)cc1 95959628 NOTXNUQHJMNNCV-ZDUSSCGKSA-N 393.896 3.550 0 40 GHAB COc1ccc(C)nc1NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 95963068 OYQGMKDKFDJWCI-UHFFFAOYSA-N 392.246 3.847 0 40 GHAB Cc1cccc(N2CCN(C(=O)Nc3nc(-c4ccsc4)ns3)CC2)c1 95942272 QOYKQRXWNCZMAA-UHFFFAOYSA-N 385.518 3.929 0 40 GHAB CC1(C)C(=O)Nc2ccc(C(=O)NC[C@@H]3CCO[C@H]3c3ccc(F)cc3)cc21 548020605 RAGBJPXOJWCWOQ-KXBFYZLASA-N 382.435 3.563 0 40 GHAB COC1CCN(c2nnc(Cc3csc(C)c3)n2Cc2cccs2)CC1 1525581723 XCTOPYVXLGXGIG-UHFFFAOYSA-N 388.562 3.964 0 40 GHAB CCN(Cc1cccc(NC(=O)Cc2ccc(OC)cc2)c1)C(=O)C(F)(F)F 32832758 KYUSMVADHWFWCI-UHFFFAOYSA-N 394.393 3.787 0 40 GHAB COc1cccc(N2CCN(C(=O)c3cn[nH]c3-c3cccc(Cl)c3)CC2)c1 72328635 MNUBYPFFNWNYSM-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc(NC(C)(C)C)c(C(=O)O)c1)c1ccccc1 217608366 BCFKGQXLRGWZPP-ZDUSSCGKSA-N 376.478 3.635 0 40 GHAB Cc1ccc(CSc2nc3nccnc3c(=O)n2Cc2ccc(F)cc2)cc1 6818669 OZRZUSHKWITOBY-UHFFFAOYSA-N 392.459 3.975 0 40 GHAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2cncc(-c3ccc(CO)cc3)n2)C1 72359347 LHXCQRAEUWRCHA-IBGZPJMESA-N 391.446 3.795 0 40 GHAB CN(C)c1cccc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 70635414 YXFNXMRPJMMHTQ-GOSISDBHSA-N 378.394 3.985 0 40 GHAB CCCN(C[C@H]1COc2ccccc2O1)C(=O)/C=C/c1cc(OC)ccc1OC 32969371 CDVMYGDEQIESOC-DLENHJPASA-N 397.471 3.796 0 40 GHAB COC(=O)[C@@]1(Cc2cccc(F)c2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 72340254 CPGPVEFITTVHQH-ZRCGQRJVSA-N 381.447 3.534 0 40 GHAB Cc1cccnc1NC(=O)CSCc1nc2sc(C(C)C)cc2c(=O)[nH]1 36354998 PWEQBYOAJKEOKG-UHFFFAOYSA-N 388.518 3.683 0 40 GHAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)n1 30871836 VOHSZEQSAUHNMW-FQEVSTJZSA-N 389.455 3.866 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCCC3)nc2C)cc1 72218930 BVWDZCWAKMVWIS-FQEVSTJZSA-N 385.533 3.824 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(=O)O)cc2)n2nc(C)cc2N1 72332697 DHAPKVRKAIKBOZ-HXUWFJFHSA-N 388.427 3.817 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 219333432 SKBOMGOCGVASGZ-IBGZPJMESA-N 395.459 3.836 0 40 GHAB O=C(c1cnn(-c2ccc(Br)cc2)c1-n1cccc1)N1CCCC1 49545372 YJLFBIDOIMKOOM-UHFFFAOYSA-N 385.265 3.662 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)c1 224128614 AMRFBGDFECKUPU-UHFFFAOYSA-N 386.517 3.883 0 40 GHAB COc1ccc(C)cc1[C@H](C)NC(=O)NCc1cccc(N2CCCC2=O)c1 48183141 IGFMOIRXOJWXHC-INIZCTEOSA-N 381.476 3.691 0 40 GHAB O=C(COc1cccc2c1CCCC2)NCc1nc(-c2cccc(Cl)c2)no1 222946670 GZAXCRCTLATTSB-UHFFFAOYSA-N 397.862 3.964 0 40 GHAB O=C(CCCOc1ccccc1F)NCc1ccc(C(=O)N2CCCC2)cc1 48365890 ACYJXCFYHLBPGF-UHFFFAOYSA-N 384.451 3.537 0 40 GHAB CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccco1 223051461 DOAJRUNVPNHEBZ-JOCHJYFZSA-N 390.483 3.946 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225108537 VNYQMXQIJDWGNJ-QGZVFWFLSA-N 386.473 3.888 0 40 GHAB O=C1CCCN1Cc1ccccc1CNC(=S)Nc1c(F)cccc1F 225652249 SWWPUPUKXJROLF-UHFFFAOYSA-N 375.444 3.574 0 40 GHAB O=C(COc1ccccc1Cl)Nc1nn2c(-c3ccccc3)nnc2s1 41076422 ZXMLYXZEHPFPBL-UHFFFAOYSA-N 385.836 3.524 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 225554252 VHHBAIMKILXWMY-OAHLLOKOSA-N 390.886 3.964 0 40 GHAB NC(=O)[C@@H](c1ccc(Br)cc1)N1CCc2c(Cl)cccc2C1 519852306 UELWAPLTERLNPJ-MRXNPFEDSA-N 379.685 3.687 0 40 GHAB COc1cc(CN(CCCn2ccnc2)Cc2ccc(F)cc2)cc2c1OCO2 43277681 RBEGOOAJBYJXMP-UHFFFAOYSA-N 397.450 3.852 0 40 GHAB COC(=O)c1cccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1C 223230622 NWXIGYBWEALZNQ-UHFFFAOYSA-N 385.441 3.744 0 40 GHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC(C)(C)CC(C)(C)C 225107774 SWSPWUHVBVHNMF-KRWDZBQOSA-N 398.569 3.571 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 223667586 AMWHETMQMNIQKP-LJQANCHMSA-N 382.504 3.544 0 40 GHAB COc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cc1OC 225920137 BYFROZZQZUVKQD-UHFFFAOYSA-N 375.396 3.533 0 40 GHAB O=C(c1cc(F)c(N2CCOCC2)c(F)c1)N1CCCc2c(F)cccc21 577466664 DMOOXYSQDKLLNU-UHFFFAOYSA-N 376.378 3.534 0 40 GHAB Cc1ccc(C(=O)N2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1F 98211808 JTBYTPRQSJEKID-UHFFFAOYSA-N 382.414 3.626 0 40 GHAB Cc1ccc([S@](C)(=O)=NC(=O)C2(N(C)C(=O)OC(C)(C)C)CCC2)cc1 1598171437 IWOGLLYKCDKMHV-SANMLTNESA-N 380.510 3.768 0 40 GHAB O=C(C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21)NC1CC1 96052991 QMRZLXYTVVGWCW-LJQANCHMSA-N 375.516 3.771 0 40 GHAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 96242021 RQLOLTBURPASAX-GOSISDBHSA-N 394.490 3.965 0 40 GHAB Cc1cccc(N2C[C@@]3(CCN(C(=O)c4ccc5ccccc5n4)C3)CC2=O)c1 96238521 QDBAYRJSVXEFDU-DEOSSOPVSA-N 385.467 3.812 0 40 GHAB Cc1ccc2c(-c3cc4c(CNCCO)cnc(C)c4o3)cc(=O)oc2c1C 96114624 CVQRSEBXCLNAHQ-UHFFFAOYSA-N 378.428 3.608 0 40 GHAB biogenic CC(=O)N1CCC[C@]2(CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)C1 96157125 XEARYUOOXANHIW-KRWDZBQOSA-N 388.817 3.833 0 40 GHAB CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1OC 245228286 NIIJJISQEZFEFE-SWTQWZHWSA-N 389.492 3.734 0 40 GHAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(C(=O)OC)cc4)OCC[C@@]31C2 257242506 ICWDKSBQVBFLMQ-ZFGVQBJHSA-N 385.504 3.882 0 40 GHAB CN(C)C(=O)c1sc2ncccc2c1C1CCN(Cc2cccnc2)CC1 257208473 BMHNCEVJKLELMO-UHFFFAOYSA-N 380.517 3.773 0 40 GHAB CC[C@H](C(=O)N[C@H](C)C(C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 260899515 LPFGRRHVXIROHP-BXUZGUMPSA-N 395.352 3.699 0 40 GHAB C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1cccc(NS(C)(=O)=O)c1 658252232 HVMIHWWRTGCTJU-JCGIZDLHSA-N 380.554 3.835 0 40 GHAB O=C(CN[C@H](c1ccccc1)C(F)(F)F)N1CC[C@H](c2ccc(O)cc2)C1 629665044 LWQSNIHYQFHJLB-QFBILLFUSA-N 378.394 3.601 0 40 GHAB CCN(CCc1cccs1)S(=O)(=O)c1ccc(OC)c2cccnc12 649707714 KUAINHCVBIUZCJ-UHFFFAOYSA-N 376.503 3.558 0 40 GHAB CC(C)c1noc(C2(NC(=O)[C@@H]3CCCCc4ccccc43)CCOCC2)n1 585141935 IYFBSJDFENIDJA-GOSISDBHSA-N 383.492 3.825 0 40 GHAB Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4nccs4)C[C@H]23)o1 585109666 HZQPSOIUNYUQKM-ABSDTBQOSA-N 379.485 3.745 0 40 GHAB Cc1ccc(-n2c(SCCn3cccn3)nnc2-c2ccncc2)cc1C 78680207 HWBTUSWWYCPRHX-UHFFFAOYSA-N 376.489 3.935 0 40 GHAB CN1CCC(C)(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)CC1 1615153202 CCJHQSDZSJOEEQ-XLIONFOSSA-N 387.543 3.763 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3ccncc3)n2)cc1 5061618 RVXWPXCJFTZWPA-ZDUSSCGKSA-N 381.457 3.952 0 40 GHAB Cc1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1O 5986315 LDOKBOBSVCHRRA-UHFFFAOYSA-N 389.407 3.727 0 40 GHAB O=C([C@H](c1ccccc1)C1CCCC1)N1CCC(n2nnc3cccnc32)CC1 12088701 KXLREDMEBLBKMC-OAQYLSRUSA-N 389.503 3.964 0 40 GHAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ncoc1-c1ccc(F)cc1 12145508 KOGIFSMTEKMESE-UHFFFAOYSA-N 379.391 3.538 0 40 GHAB CCOC(=O)N1CCN(c2ncc(-c3ccncc3)c(-c3cccs3)n2)CC1 12222169 RYVOMRQNBURAGM-UHFFFAOYSA-N 395.488 3.546 0 40 GHAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[C@H](c2n[nH]c3nccnc23)C1 19331815 VZUXGFTWISETON-LBPRGKRZSA-N 380.839 3.507 0 40 GHAB C[C@@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1nc2ccccc2s1 19459850 QFLZJJPXWDADKR-GFCCVEGCSA-N 379.445 3.551 0 40 GHAB Cc1c(CN(Cc2ccccn2)C[C@@H]2CCCO2)cnn1Cc1ccccc1 19554504 ZUXOJOSCFXVFTG-QHCPKHFHSA-N 376.504 3.816 0 40 GHAB Cc1cc(C(F)F)n2ncc(C(=O)NCCc3nc(C(C)(C)C)cs3)c2n1 19714915 QPTGOGZVEFYRMZ-UHFFFAOYSA-N 393.463 3.702 0 40 GHAB Cc1nc([C@@H]2CCCN(Cc3cccnc3)C2)ncc1C(=O)Nc1ccccc1 19766259 CXPPTRHBLDVRAP-LJQANCHMSA-N 387.487 3.812 0 40 GHAB COc1cccc(/C=C2\NC(=S)N(c3ccccc3F)C2=O)c1OC(F)F 7335443 HQYVNBYBUFSJJM-XFXZXTDPSA-N 394.374 3.698 0 40 GHAB CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)C3CCCCC3)ccc21 9166382 NOQBVJHPFQUGPJ-UHFFFAOYSA-N 380.510 3.533 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)c1sc(C)nc1C)Cc1ccccc1O2 19560185 OYWZESHIMGYTTL-UHFFFAOYSA-N 385.533 3.696 0 40 GHAB CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 3557689 FEUFCSOJUSNJDY-UHFFFAOYSA-N 386.517 3.984 0 40 GHAB COC(=O)c1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 30521851 FQBIFKSGSLUKPP-UHFFFAOYSA-N 388.272 3.601 0 40 GHAB CCOC(=O)[C@H](CC)Sc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2 2719789 JASIYLCIZIQSEO-HNNXBMFYSA-N 390.530 3.623 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2ccc3nncn3n2)c1 4377087 UGICRKWJFNHPOX-UHFFFAOYSA-N 379.807 3.706 0 40 GHAB CCOc1ccc(CC(=O)NCCSc2ncc(-c3ccccc3)[nH]2)cc1 4315589 LWPWCBODDVASNV-UHFFFAOYSA-N 381.501 3.926 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C 8840864 DVBQWPMKLQUYJR-UHFFFAOYSA-N 390.480 3.870 0 40 GHAB CCCS(=O)(=O)Nc1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 9173979 JYVSQLUZRPDZPM-UHFFFAOYSA-N 382.526 3.636 0 40 GHAB COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccccc3F)cs2)cc1 9628013 AYQKTPCDRSEZKI-UHFFFAOYSA-N 385.420 3.724 0 40 GHAB COc1ccc(-n2ccnc(SCC(=O)Nc3cc(C)cc(C)c3)c2=O)cc1 10272704 CJOQJYXLIAAANO-UHFFFAOYSA-N 395.484 3.589 0 40 GHAB COc1ccc(CNc2nccn(-c3ccc(Br)cc3)c2=O)cc1 10273190 TZRUYAPJDQBXDW-UHFFFAOYSA-N 386.249 3.616 0 40 GHAB O=C(Nc1ccccc1)c1cccn(Cc2ccc(Br)cc2)c1=O 15882872 IZIVSCZVAUOMLH-UHFFFAOYSA-N 383.245 3.911 0 40 GHAB COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 22906876 GETDLLLYFXUAPL-NRFANRHFSA-N 376.456 3.818 0 40 GHAB CCc1ccc(S(=O)(=O)NC[C@@H](O)c2cc(-c3ccco3)cs2)s1 1775969857 OUVDBAUDJNTMAJ-CYBMUJFWSA-N 383.516 3.644 0 40 GHAB COc1cccc(CN2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c1 20080093 MUCXDBHUZXMZIH-UHFFFAOYSA-N 390.483 3.572 0 40 GHAB CCCOc1ccc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 40141464 YQEKJSJAIUVHCB-FMIVXFBMSA-N 394.515 3.637 0 40 GHAB COc1ccc(NC(=O)NCCSC2CCCC2)cc1N1CCCC1=O 40104958 NLOVNBYQXXVUGE-UHFFFAOYSA-N 377.510 3.619 0 40 GHAB CC(C)SCC(=O)Nc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F 40114374 FSRUMVFVBDBAJS-CQSZACIVSA-N 381.517 3.719 0 40 GHAB Cc1cc(N2CCSCC2)ccc1NC(=O)[C@H]1Oc2ccccc2O[C@H]1C 50494455 VCTXZJREGOQQTC-YWZLYKJASA-N 384.501 3.715 0 40 GHAB c1ccc(C(c2ccccc2)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 20405593 GVHWUISRMMYAPI-UHFFFAOYSA-N 396.498 3.574 0 40 GHAB Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)c1 2616676 UGWVANWZTSXTIO-LBPRGKRZSA-N 383.429 3.893 0 40 GHAB COc1ccc(C(=O)Nc2nnc(COc3ccc(F)cc3)s2)cc1OC 778500 IGEPNRBMHAUDSI-UHFFFAOYSA-N 389.408 3.526 0 40 GHAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nc1N 862079 INSXYUHOIFRDEK-LBPRGKRZSA-N 396.472 3.508 0 40 GHAB CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C1C[C@@H]2CC[C@H](C1)N2C 2024832 UOCBXPLPHJNAKG-JWTNVVGKSA-N 390.524 3.580 0 40 GHAB C[C@@H]1Sc2ccccc2N(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)[C@H]1C 79105642 OKTOOHYSOLGZFO-STQMWFEESA-N 388.514 3.649 0 40 GHAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)c1 6418729 JXWVEJFNBTTXRP-UHFFFAOYSA-N 396.468 3.964 0 40 GHAB COc1ccc(Br)cc1CN(C)CC(=O)NCCC1=CCCCC1 7696657 ABOUONZVEFJJAD-UHFFFAOYSA-N 395.341 3.896 0 40 GHAB C[C@H]1C[C@@H](N(c2ccccc2)S(C)(=O)=O)c2ccccc2N1C(=O)C1CC1 10153284 XZEXBJLBJIOBCE-MGPUTAFESA-N 384.501 3.729 0 40 GHAB Cc1nc(-c2cc(C)n(CC(=O)NC[C@@H]3COc4ccccc4C3)c2C)cs1 41836866 YLIWORMNMQJYPT-QGZVFWFLSA-N 395.528 3.904 0 40 GHAB O=C(CCCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1ccc(F)cc1 8417077 YRFCHFPLDBPDNE-UHFFFAOYSA-N 392.814 3.770 0 40 GHAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)N(C)C)c1ccccc1 17725801 YQLHSPDJLRJGMN-LJQANCHMSA-N 380.517 3.810 0 40 GHAB O=C(O)Cc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 8813374 YEGNBSOCPWIZSE-UHFFFAOYSA-N 375.837 3.574 0 40 GHAB COc1ccc(C)cc1NC(=O)CSc1nncn1-c1ccc(C)c(C)c1 10642268 PPOXUDOMIGTXKF-UHFFFAOYSA-N 382.489 3.932 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 57693041 OWABNAXUOOKZMV-UHFFFAOYSA-N 377.506 3.822 0 40 GHAB COc1ccc(C(=O)Nc2ccc(-n3cnc(Cl)c3Cl)nc2)cc1OC 61720580 IUVUNVXCNUTKDZ-UHFFFAOYSA-N 393.230 3.844 0 40 GHAB COC(=O)c1cn(Nc2ncc(C(F)(F)F)cc2Cl)c(=O)c2ccccc12 3128477 FYRBUJJFSPMRCN-UHFFFAOYSA-N 397.740 3.731 0 40 GHAB C[C@@H](OC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCC(F)(F)F 24268601 LFGTXDKTEDXSBR-SECBINFHSA-N 375.730 3.824 0 40 GHAB CC(=O)N(C(C)=O)c1ccc(Sc2ccc(N(C(C)=O)C(C)=O)cc2)cc1 59371031 KGRAXNCOMUPDDK-UHFFFAOYSA-N 384.457 3.637 0 40 GHAB O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cnccn1 12578685 XVJJGCNWANFLLZ-QGZVFWFLSA-N 397.360 3.891 0 40 GHAB COc1ccccc1NC(=O)C1CCN(Cc2cnc3ccc(C)cn23)CC1 91919030 QUBVSXYIOQTBLX-UHFFFAOYSA-N 378.476 3.502 0 40 GHAB Cc1ccc(-c2nnc(SCCC(=O)NC(=O)NC3CCCC3)o2)cc1C 24990238 DCTPIBRCGUDXFZ-UHFFFAOYSA-N 388.493 3.604 0 40 GHAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)sc2nc3c(cc12)CCCCC3 1471220 HERROPNWWKRESW-UHFFFAOYSA-N 395.484 3.806 0 40 GHAB Cc1ccc2cc(C(=O)OCC(=O)c3cnc(N4CCCCC4)s3)[nH]c2c1 84209993 MHZOKLNFKBHBGE-UHFFFAOYSA-N 383.473 3.963 0 40 GHAB Cc1nnc(SCc2c(C(=O)NC3=NCCS3)oc3ccccc23)s1 84296811 JYYBTHAZUYIJIB-UHFFFAOYSA-N 390.515 3.718 0 40 GHAB COc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 57363838 FIAMGBZDQSSDPN-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)CN2C(=O)COc3ccccc32)cc1 12698329 DMMBTRUIYSGPSU-IBGZPJMESA-N 394.471 3.565 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)NCc2ccc(CN(C)C)cc2)n1 57987187 MEUMIQXMCXJYBD-UHFFFAOYSA-N 377.492 3.872 0 40 GHAB Cc1nc(-c2ccc(NC(=O)[C@H](Cc3ccccc3)n3cnnn3)cc2)cs1 25575643 JUQLRIMULSFCRQ-IBGZPJMESA-N 390.472 3.528 0 40 GHAB CCNC(=O)COc1ccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 58144798 SPYPCYSSKXSFRP-CQSZACIVSA-N 381.432 3.830 0 40 GHAB COc1cc(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1 3386262 ICZCBYFAUXMETI-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccccc2CN2CCOCC2)c1 24378737 VGPGZISLWBHVHL-UHFFFAOYSA-N 396.531 3.646 0 40 GHAB COc1ccc(C(NC(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1OC 2291784 RQSZICUKOVXDQV-UHFFFAOYSA-N 397.427 3.833 0 40 GHAB CCSc1ccccc1NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 20456700 LJMSJJLNPGONLZ-HNNXBMFYSA-N 392.546 3.900 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1C 10657295 UYIKTLZXWXQLOX-UHFFFAOYSA-N 397.504 3.709 0 40 GHAB COc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)OCO3)N2CCCCC2)cc1 12753893 YHEBPVSBGDCZJB-LJQANCHMSA-N 397.475 3.773 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(NC(=O)C(C)C)cc3)CC2=O)cc1 11713013 JFYCGKDSXDETNH-QGZVFWFLSA-N 393.487 3.835 0 40 GHAB CCOc1ccc(CN(C)C[C@H](O)COc2cccc(Br)c2)cc1 3401568 UDKMKYPBOFYDPM-KRWDZBQOSA-N 394.309 3.720 0 40 GHAB COC(=O)c1ccc(F)c(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1 12981261 LLERCJUODVLVNU-UHFFFAOYSA-N 375.444 3.653 0 40 GHAB Cc1cc(NC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)no1 12921470 XWSUJKXFWWNUQU-UHFFFAOYSA-N 392.337 3.626 0 40 GHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCc2sccc2[C@@H]1c1ccccc1 18127660 DWHOKXPEZHFKMN-QKLQHJQFSA-N 378.497 3.604 0 40 GHAB C[C@H](Sc1nnc(Nc2ccccc2Cl)s1)C(=O)NC[C@H]1CCCO1 8745619 QQUMMQJFHOKTCH-WDEREUQCSA-N 398.941 3.711 0 40 GHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1ccccc1 13690174 CVHUITYZXIZWOG-LPHOPBHVSA-N 375.472 3.898 0 40 GHAB O=C(C[C@@H](NCCc1ccccc1)C(=O)O)Nc1ccc(Cl)cc1Cl 6344184 SAMBHSZYVWABQN-MRXNPFEDSA-N 381.259 3.608 0 40 GHAB COc1c(Cl)cc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1Cl 4487829 SQPZRCSFKIXHFC-UHFFFAOYSA-N 385.272 3.903 0 40 GHAB COc1cc(CNC(=O)c2ccc3c4c(cccc24)CC3)cc(OC)c1OC 14190587 MIPYZYNGPFBNND-UHFFFAOYSA-N 377.440 3.894 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1cc(F)ccc1F 14223475 JNTAYPMOYNDQJM-UHFFFAOYSA-N 377.416 3.627 0 40 GHAB Brc1cc2c(cc1COc1ccc(-c3nnco3)cc1)OCO2 5429398 NZPFSRXFMKKITK-UHFFFAOYSA-N 375.178 3.807 0 40 GHAB COc1ccc(NC(=O)NCCC(=O)N[C@@H]2CCSc3ccccc32)cc1 14306282 YKHASPIOFDOGDT-QGZVFWFLSA-N 385.489 3.560 0 40 GHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccccc2OC)CC1 20493875 IREQKGUNXCJAOA-IBGZPJMESA-N 388.895 3.855 0 40 GHAB CCC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 4731887 NUTQVFSJWFGKEF-LLVKDONJSA-N 392.912 3.871 0 40 GHAB O=C(COC(=O)c1cc(Br)ccc1Cl)NCc1cccs1 5652402 UIDKYWUUPMVTJD-UHFFFAOYSA-N 388.670 3.637 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1C[C@@H](C)C[C@@H](C)C1 4860316 WAUKQBSIVYNPOP-HZSPNIEDSA-N 389.471 3.789 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)o2)cc1 7060780 AEINMMURUMRTFO-UHFFFAOYSA-N 381.457 3.965 0 40 GHAB COc1cccc(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 7058814 GWLRMOGURNBIQA-UHFFFAOYSA-N 388.533 3.504 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 67323558 HPHACUGIBZQLKN-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(Cl)cc1N1CCCC1=O 7117849 ZHZVOMDLWAGJDB-UHFFFAOYSA-N 396.878 3.555 0 40 GHAB Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 9194274 PNYFCLVOQGVIOK-UHFFFAOYSA-N 377.853 3.519 0 40 GHAB CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 16343958 UCQYLJNEDDBZTE-FQEVSTJZSA-N 398.478 3.783 0 40 GHAB CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccccc1Cl 7929670 KYAHVUKSYOEOMK-UHFFFAOYSA-N 390.274 3.645 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(c2ccccc2C)CC1 8041863 MEAZDBNCZJPHMS-QHCPKHFHSA-N 389.499 3.608 0 40 GHAB CCOc1ccc([C@H]2CCCN2C(=O)c2nn(CC)c(=O)c3ccccc23)cc1 19717046 MEHHBBVEEZKINN-HXUWFJFHSA-N 391.471 3.792 0 40 GHAB CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)[C@@H]1COCCO1 72285469 LNLKOPXELWOYIG-QFIPXVFZSA-N 397.515 3.955 0 40 GHAB C[C@@H](NC(=O)CSc1nc(-c2ccncc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 8489895 WPSKYGKJKNZMSL-BUBBNXEVSA-N 397.548 3.680 0 40 GHAB Cn1ccnc1CC1CCN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 95431002 PWHLEEGGBAUAFM-UHFFFAOYSA-N 379.464 3.925 0 40 GHAB CCc1nc(NC(=O)c2ccc(COc3ccccc3)o2)sc1C(=O)OC 89282659 IGPIAZLQDPOCTI-UHFFFAOYSA-N 386.429 3.916 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1CC 27588362 WNJRWOMZHKGSER-ZDUSSCGKSA-N 376.316 3.801 0 40 GHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2C)C1=O 409075038 WZNREDVKKFBMCU-MPMPPSQCSA-N 384.457 3.692 0 40 GHAB Cc1nn([C@H](C)CCNC(=O)c2nc(-c3cccs3)no2)c(C)c1Cl 36612483 NMEPDXVMSZNIDD-SECBINFHSA-N 379.873 3.646 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 408712920 BFUGHVRYTYUZAQ-UHFFFAOYSA-N 377.853 3.930 0 40 GHAB COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3ccnc(C)c3)c2C)c1 527538550 LQTVQHUODBFFBH-JOCHJYFZSA-N 392.503 3.775 0 40 GHAB Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2cccc3ccccc23)CC1 32611059 SANPHYDWANUODP-UHFFFAOYSA-N 377.492 3.540 0 40 GHAB C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1cccc(NS(C)(=O)=O)c1 32916072 VBDMPVRLMUJOME-SNVBAGLBSA-N 387.288 3.856 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCCN1CCCc2ccccc21 219571288 NBBWHQHURHECBM-HXUWFJFHSA-N 382.504 3.812 0 40 GHAB Cc1nc([C@@H]2CCN(C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)c3)C2)n[nH]1 564188393 NNFFNEWVBSEURK-GOSISDBHSA-N 389.459 3.736 0 40 GHAB CC(C)[C@@H](C(=O)O)n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40397313 ZKIINKXZWNDWKT-KRWDZBQOSA-N 396.834 3.646 0 40 GHAB CCc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3)n2C)cc1 41124459 KKHWVMBXBZHEHF-UHFFFAOYSA-N 382.489 3.784 0 40 GHAB COc1ccc2cc(S(=O)(=O)NCCOc3cccc(C)c3C)ccc2c1 223969605 CMRMHBLDCSGCQV-UHFFFAOYSA-N 385.485 3.823 0 40 GHAB COc1ccc(-c2ccc(=O)n([C@H]3CCc4ccccc4N=C3O)n2)cc1OC 40266165 DWUIKGXKQGLXRS-SFHVURJKSA-N 391.427 3.703 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(OC)c1 222797544 UERRMNOOLUMZSD-WOJBJXKFSA-N 378.501 3.873 0 40 GHAB O=C(NCCNc1cc(-n2cccc2)ncn1)C(c1ccccc1)c1ccccc1 77101389 ZPMLRHASKBXQMY-UHFFFAOYSA-N 397.482 3.628 0 40 GHAB Cc1ccc(C(=O)NC(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 224048000 BZVSMSDFDXNZLA-UHFFFAOYSA-N 380.897 3.978 0 40 GHAB CC(C)(C)c1ccccc1OCC(=O)NCc1cccc(CN2CCOCC2)c1 224751354 CCCRIDKUJOIPTI-UHFFFAOYSA-N 396.531 3.512 0 40 GHAB CC[C@H](C(=O)Nc1ccc(F)cc1F)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220568911 YIRCRFIIBDUSKA-GOSISDBHSA-N 396.459 3.765 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)c(C)c1 223874299 IEABCMOJIXXNDT-GOSISDBHSA-N 384.495 3.929 0 40 GHAB Cc1ccc2c(-c3cc4c(CNCCCO)cnc(C)c4o3)cc(=O)oc2c1C 96115516 GSIRHTFMGGPMRD-UHFFFAOYSA-N 392.455 3.998 0 40 GHAB biogenic CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2ccsc2)CCO1 96117448 HFAKBNTYHVAVGT-FZMZJTMJSA-N 379.507 3.555 0 40 GHAB C[C@]12C[C@@H]3N[C@H]1CCCC[C@H]2N(C(=O)c1ccccn1)[C@H]3Cc1ccccc1 257214595 CMOYVEQOQBBTBD-CHSSDKTLSA-N 375.516 3.828 0 40 GHAB CCc1ccc([C@@H]2OCC[C@]3(NC(C)=O)[C@H]4C[C@@H](C[C@@H]23)C(C)(C)N[C@@H]4C)cc1 257330652 XPIGRECWXHTRPQ-KREBNATDSA-N 384.564 3.998 0 40 GHAB CC(C)C[C@]1(O)CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1ccc(C(=O)O)cc1 257309499 UBEJRZOKCVUASH-UWJYYQICSA-N 393.480 3.550 0 40 GHAB COc1cccc2c1OC[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C2 590623122 FNZFFNGTQQPRHQ-CYBMUJFWSA-N 382.338 3.719 0 40 GHAB Fc1c(CN2CCN(C[C@H]3CCCO3)CC2)ccc(Br)c1Cl 1237901720 RIVWMWQPNVMSCP-CYBMUJFWSA-N 391.712 3.538 0 40 GHAB COC(=O)c1c[nH]c2cc(NC(=O)N3CCC4(CC3)C(F)(F)C4(F)F)ccc12 599839332 FKZHDKOVFUFYMJ-UHFFFAOYSA-N 399.344 3.853 0 40 GHAB C[C@@]1(C(F)F)CN(C(=O)N[C@H]2CCc3c(Br)cccc32)CCO1 663955827 VIIRIFKXADPBKO-BBRMVZONSA-N 389.240 3.502 0 40 GHAB COc1cccc2c1CC[C@H]2NC(=O)N[C@H](Cc1ccccc1)c1ncco1 654490753 RWISLRIEWDGBDH-RTBURBONSA-N 377.444 3.954 0 40 GHAB CC(C)(C)c1cc(NS(=O)(=O)c2ccc(C3CC3)cc2)n(-c2ncccn2)n1 578149912 HHIBCAGJBVUEFP-UHFFFAOYSA-N 397.504 3.638 0 40 GHAB c1nc(C2CCC2)cc(N2CCC(COc3cc4c(nn3)CCCC4)CC2)n1 1565522910 VULVXELQQOHRAI-UHFFFAOYSA-N 379.508 3.708 0 40 GHAB CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c2ccccc21 983019 VVIWGRCDDROYCW-WOJGMQOQSA-N 397.500 3.881 0 40 GHAB O=C(c1cc2ccccn2c1)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775968924 ZGPWFHHWUUOXAW-UHFFFAOYSA-N 376.460 3.538 0 40 GHAB Cc1cccc(CC(=O)N[C@@H](c2nc3c4c(C)c(C)oc4ncn3n2)C(C)C)c1 12236110 JWUUTZGPSPOHNR-LJQANCHMSA-N 391.475 3.852 0 40 GHAB COc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4cccc(C)c4)nnc23)cc1 13635840 YDPFFPNLCCZMME-UHFFFAOYSA-N 387.443 3.977 0 40 GHAB CC(=O)Oc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)cc1 13994450 QHKSVXZNRMXWKT-FQEVSTJZSA-N 383.444 3.522 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)c(O)n2)cc1 16777206 FQHYIUKUEARENG-UHFFFAOYSA-N 396.472 3.682 0 40 GHAB O=C1c2ccccc2[C@@]2(Br)C(=O)c3ccccc3[C@]12Br 17949394 DKURMNDEKYFQTB-IYBDPMFKSA-N 392.046 3.960 0 40 GHAB CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)CC(C)(C)C 19696549 QRLWVIRCGILWID-HSZRJFAPSA-N 397.519 3.770 0 40 GHAB CN(Cc1cnn(-c2ccc(Cl)cc2)c1)Cc1ccccc1N1CCOCC1 19714485 WCNLYNXRHILIOJ-UHFFFAOYSA-N 396.922 3.994 0 40 GHAB O=C1CCCc2nc3nc(N4CCCCC4)[nH]c(=O)c3c(-c3ccc(F)cc3)c21 19820052 BIRMTNCQPZJSCZ-UHFFFAOYSA-N 392.434 3.634 0 40 GHAB COc1ccc(-n2nc3c(c2NC(=O)CCC2CCCC2)C[S@@](=O)C3)cc1 2456758 IYDHDSVXDQZQAQ-MHZLTWQESA-N 387.505 3.552 0 40 GHAB O=C(O)c1cn(C(=O)c2cccc(I)c2)c2ccccc12 226366468 ZWXTWRFNCONTFW-UHFFFAOYSA-N 391.164 3.633 0 40 GHAB O=C(COc1ccccc1-n1cnnc1C1CC1)N1CCc2cc(Cl)ccc21 19656137 SQFFQGBOTYIWBK-UHFFFAOYSA-N 394.862 3.766 0 40 GHAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)C4CC=CC4)CC3)ccc2n1 1888853904 SUSPNFADGVAZCF-UHFFFAOYSA-N 382.508 3.610 0 40 GHAB COc1ccc([C@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCCC3)cc1OC 2966516 HLUDFLCKPBMNBD-HSZRJFAPSA-N 381.496 3.663 0 40 GHAB Cc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cccc3C)nc2O)cc1 4317351 KKDFDHGKUJQQNP-UHFFFAOYSA-N 394.500 3.824 0 40 GHAB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(Cl)cc1 4939902 LRIWVKMILXXLJE-UHFFFAOYSA-N 394.862 3.886 0 40 GHAB COCCn1cc(NC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 5266287 BJBLLMOTOBGKAM-UHFFFAOYSA-N 378.476 3.642 0 40 GHAB COc1cccc(OCC(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1 9137814 YWLWTMCCLSCQJL-UHFFFAOYSA-N 382.460 3.648 0 40 GHAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)CC3CCCCC3)c2)nn1 9626846 SYKTVIHNVXBKNJ-UHFFFAOYSA-N 387.505 3.846 0 40 GHAB CSc1cccc2sc(NC(=O)CS(=O)(=O)Cc3ccccc3)nc12 10619892 RZVGOSDWURBKJN-UHFFFAOYSA-N 392.527 3.572 0 40 GHAB COc1ccc([C@@H]2CCCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 206887242 JSBPOTDGSXJMTF-GOSISDBHSA-N 382.460 3.903 0 40 GHAB COc1ccc(CCNC(=O)Nc2ccccc2NC(=O)c2ccco2)cc1 38678848 YNTDRXXJXFRIBB-UHFFFAOYSA-N 379.416 3.905 0 40 GHAB O=C(Nc1nccs1)C1CCN(C(=O)C2(c3cccs3)CCCC2)CC1 42383194 QCBFREVIEGYUQC-UHFFFAOYSA-N 389.546 3.894 0 40 GHAB O=C(CCn1cnc2ccccc2c1=O)NCc1nc(C2CCCCC2)cs1 575609454 VJJRGGNOTYGQIV-UHFFFAOYSA-N 396.516 3.607 0 40 GHAB O=C(CSc1nc2ccccc2[nH]c1=O)n1c2c(c3c1CCCC3)CCCC2 72411037 HMUXYJHJSSGDRS-UHFFFAOYSA-N 393.512 3.915 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10445825 OCZAWRJUTYIYMW-OAHLLOKOSA-N 386.879 3.985 0 40 GHAB O=C1NCCCC[C@@H]1Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 40033938 DKBSEKRLKLBKBJ-ZDUSSCGKSA-N 389.477 3.552 0 40 GHAB CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)c1 40144825 BSBRHRJMMPFXFT-CYBMUJFWSA-N 388.899 3.988 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@H](C)CCc2ccccc2)cs1 40128430 TVMYPDUFTNXJKL-AWEZNQCLSA-N 397.500 3.977 0 40 GHAB C[C@H](NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1)c1ccccc1 30955091 OCKPLLSDZKHELF-KRWDZBQOSA-N 390.487 3.826 0 40 GHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3[nH]nc(C)c3C)s2)cc1 20991973 JAGCVSXFWPAGHS-UHFFFAOYSA-N 390.490 3.514 0 40 GHAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 101605303 XIUULMIBXOXSRF-ONBYKIOGSA-N 395.842 3.707 0 40 GHAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(CNC(C)=O)cc1 32736646 XLVWSBRCQOUNIR-UHFFFAOYSA-N 395.411 3.603 0 40 GHAB O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N1CCSc2ccccc21 41155157 DHYUPFBMUXPVJW-UHFFFAOYSA-N 380.425 3.865 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)c1cn(-c2cccc(Br)c2)nn1 32815553 IFJUKIZCYKXSJR-GFCCVEGCSA-N 383.249 3.621 0 40 GHAB COc1ccc2cc(CN(C(=S)NCC(C)C)C3CCCC3)c(=O)[nH]c2c1 879785 DQOUBPNTINNBAW-UHFFFAOYSA-N 387.549 3.812 0 40 GHAB CC(C)C[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1 1381330 SOOVLYUFXWHQNE-JTQLQIEISA-N 391.276 3.931 0 40 GHAB Cc1nc2ccccc2nc1COC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 32830288 PNWHVBICGMSGSL-OAHLLOKOSA-N 385.464 3.629 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CCC3(CCCCCC3)C2)c(C)c1 79024454 MLDUNPMILLHKDV-UHFFFAOYSA-N 385.552 3.713 0 40 GHAB CCCNC(=S)N(Cc1cccnc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 4216130 KQUVVOZIDCBMAD-UHFFFAOYSA-N 394.544 3.827 0 40 GHAB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc3ccccc3oc2=O)C1=O 6496493 CTNBNZFZTWRHFU-VCHYOVAHSA-N 388.404 3.901 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 6946697 VCCRWZVSXFTWTJ-HNNXBMFYSA-N 394.924 3.840 0 40 GHAB Cc1ccc(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1 6966028 LYHNSRQWGDPYFW-UHFFFAOYSA-N 380.517 3.700 0 40 GHAB Cc1[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c2c(=O)c1Cc1ccc(Cl)cc1 8021081 WUILPFZJLXKHSJ-UHFFFAOYSA-N 383.810 3.699 0 40 GHAB O=C(COC(=O)CCC(=O)Nc1cccc(Cl)c1Cl)Nc1ccccc1 8415405 UZEDIRZRSLYZMN-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB CC1(C)COc2cc(NC(=O)c3ccc(Br)o3)ccc2NC1=O 8959196 YVYNAGTWMQZCHT-UHFFFAOYSA-N 379.210 3.652 0 40 GHAB CC(C)NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 885364 IJEMTWAHKJCEPH-UHFFFAOYSA-N 381.423 3.878 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)C1CC1 22961394 QBONIBSFOODXDE-UHFFFAOYSA-N 396.306 3.811 0 40 GHAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 23055348 GKMFPODGRUNDKQ-FQEVSTJZSA-N 375.428 3.697 0 40 GHAB CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1ccc(C)cc1 970898 BIJHWSWADIQAEC-HXUWFJFHSA-N 392.480 3.956 0 40 GHAB O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc(SC(F)F)cc1 54530008 YSJZCDYISHVLIN-UHFFFAOYSA-N 395.450 3.901 0 40 GHAB Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)COc2ccccc2)cc1 1307994 FERNMATZANVAQK-UHFFFAOYSA-N 385.423 3.521 0 40 GHAB CCOc1cccc2cc([C@H](C)NC(=O)CNC(=O)c3ccc(C)s3)oc12 57908495 FBUFHXGDXYDFBL-ZDUSSCGKSA-N 386.473 3.809 0 40 GHAB Cc1c(C(=O)Nc2ccccc2F)nnn1-c1cccc2c1CCN(C(C)C)C2 69951252 UAUMVBCPQAGKQS-UHFFFAOYSA-N 393.466 3.734 0 40 GHAB C[C@@H](CNC(=O)C1(NC(=O)NCc2ccccc2)CCCC1)c1ccccc1 26092215 XKWHMLUTCGCLSB-SFHVURJKSA-N 379.504 3.719 0 40 GHAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1)c1cccc(F)c1F 100156095 BYEBUENJGJOMIN-BETUJISGSA-N 399.401 3.509 0 40 GHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCCCOCc1ccccc1 10103523 XDHZYRATISCICC-UHFFFAOYSA-N 383.423 3.531 0 40 GHAB Cc1cc([C@]2(C)NC(=O)N(Cc3nc4ccccc4n3C(F)F)C2=O)c(C)o1 58178699 ZULQOAWDINMSTB-IBGZPJMESA-N 388.374 3.608 0 40 GHAB CCCCC1CCC(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)CC1 27664567 LQUDPKLQGVMOIK-DAWZGUTISA-N 381.538 3.792 0 40 GHAB COc1ccc(-c2cc(C(=O)OCC(=O)N3CCCC3)c3ccccc3n2)cc1 3239441 BYWDWBUWNIPNSR-UHFFFAOYSA-N 390.439 3.690 0 40 GHAB COc1ccc([C@@H](CC(=O)NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 2221699 CCWNANOHUGFNHI-IBGZPJMESA-N 375.490 3.638 0 40 GHAB O=c1/c(=C/c2c(F)cccc2Cl)sc2nc(-c3cccc(Cl)c3)nn12 2383717 MZGLZVPHIPEQFK-ZSOIEALJSA-N 392.242 3.812 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4O3)n2)c(F)c1 10994968 LNMCTFHHUCHMJY-SFHVURJKSA-N 397.431 3.850 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)c2cnc(C)cn2)c2ccccc2)c1 11480783 PJLQHUPPUAUHLB-FQEVSTJZSA-N 375.428 3.939 0 40 GHAB Cc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c(Br)c1 11623060 ZDFOQIWMLJBCSK-UHFFFAOYSA-N 390.281 3.510 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)N2C(=O)CCSC2=N1 2502025 VBYPSQUUOPRENC-MRXNPFEDSA-N 378.881 3.942 0 40 GHAB COc1ccc(C(C)=O)c(OCC(=O)NCc2ccc(Cl)cc2Cl)c1 3388963 OPVVBQWIWOHRCU-UHFFFAOYSA-N 382.243 3.900 0 40 GHAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(C(C)(C)C)cc1 12852125 SPIZUQUKCOMPKG-CQSZACIVSA-N 380.492 3.613 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)n2N)cc1 3500138 BULWYHAOWKUAJP-UHFFFAOYSA-N 389.484 3.851 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)cc1 12917489 QRDQYNJWJXVNTI-KRWDZBQOSA-N 396.306 3.984 0 40 GHAB O=S(=O)(NCCSCc1ccsc1)c1ccc(OC(F)(F)F)cc1 12980120 VNTJEMQIMPCWGN-UHFFFAOYSA-N 397.465 3.858 0 40 GHAB COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cccc(OC)c4)c32)cc1 49543169 GLBLZQGHYCPISL-KRWDZBQOSA-N 392.411 3.667 0 40 GHAB biogenic CC(C)(C)c1ccc(C(=O)N(CCc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4194985 GJBVJNLDEQXTLO-OAQYLSRUSA-N 399.556 3.856 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)[C@H]2C)cc1 6078806 KDSTVMKBKVSMQF-GFCCVEGCSA-N 389.814 3.583 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2F)N1C[C@H]1CCCO1 5156148 OPWPUVLFHJGEBY-BFUOFWGJSA-N 397.377 3.795 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccnc3)c2)c(C)c1 6244578 HRMKXXPDDLDFGU-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB CCOC(=O)c1ccc2nc(C)c(CN3CCc4ccccc4C3)c(O)c2c1 8717579 QNJMJDHXKOZDLV-UHFFFAOYSA-N 376.456 3.984 0 40 GHAB CC(=O)Nc1cccc(OCC(=O)N[C@H](C)c2ccccc2Br)c1 5462187 DSUGQJKROPYJHE-GFCCVEGCSA-N 391.265 3.664 0 40 GHAB Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1CCc1cccs1 6589901 VDBMZXAQGROZDL-UHFFFAOYSA-N 382.485 3.770 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc3nc(C)sc3c2)CC1=O 6560945 GDYPBFOYGASEKH-ZDUSSCGKSA-N 381.457 3.605 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(O)c(OCC)c1 4741603 IGIQZJHDBBFQNA-FQEVSTJZSA-N 393.443 3.993 0 40 GHAB Cn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)Nc2cccnc2)c2ccccc21 4734526 PWNUDSZZEZMFHY-QHCPKHFHSA-N 396.450 3.757 0 40 GHAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 23633525 SSYBLIKKSQBNIM-RXVVDRJESA-N 386.511 3.901 0 40 GHAB Cc1ccc(NC(=O)CCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 5884757 GGXOKKABFXIHSU-UHFFFAOYSA-N 386.517 3.741 0 40 GHAB COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c(OC)cc1Cl 4975564 IPTIXZMOWXASHJ-CYBMUJFWSA-N 388.851 3.657 0 40 GHAB CC(C)[C@H](C)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 6907129 UPMFQMDPTRQHGI-ZDUSSCGKSA-N 387.530 3.700 0 40 GHAB Cc1ccc([C@@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)c2ccccc2)cc1 7139330 PZYJAGCYPWJJSH-QHCPKHFHSA-N 383.451 3.680 0 40 GHAB COc1cc(CCC(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc(OC)c1 7272187 NATQWYKPRSXGNR-AWEZNQCLSA-N 381.428 3.932 0 40 GHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)cc1N1CCCC1=O 7491997 NOUVFVXDASMHAO-UHFFFAOYSA-N 397.862 3.846 0 40 GHAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc(=O)c2c1 15859915 QGNNQBBLBVJREI-SFHVURJKSA-N 394.471 3.960 0 40 GHAB O=C(CCc1cnn(-c2ccccc2)c1)OCc1cn2cc(Cl)ccc2n1 16258022 WJJCMMWVOMLYGG-UHFFFAOYSA-N 380.835 3.849 0 40 GHAB COc1cc(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(OC)c1 16310065 IBCSIDXRWSXMMY-HXUWFJFHSA-N 379.460 3.876 0 40 GHAB NCc1ccccc1[C@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 71791524 WJYGHFHYZDDVFP-JOCHJYFZSA-N 387.435 3.669 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(OCC)ccc3[nH]2)cc1 9668769 GPZWEQUIEDZYGH-UHFFFAOYSA-N 399.472 3.869 0 40 GHAB Brc1cccc(N2CC[C@@H](CNc3ncnc4ncccc34)C2)c1 97020943 RGYYEMKFHAQKEK-ZDUSSCGKSA-N 384.281 3.726 0 40 GHAB O=C(c1cc(Cl)ccc1F)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 95369554 SDGDIZYRYJXOJU-DLBZAZTESA-N 386.854 3.567 0 40 GHAB Cc1cccc(C(=O)N2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)c1 306136472 PUJKPNIPKLWSFC-QFIPXVFZSA-N 398.466 3.918 0 40 GHAB Cc1cc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)nc(-c2ccc(Cl)cc2)n1 95973110 DDHXZZBMRRJETO-INIZCTEOSA-N 382.899 3.912 0 40 GHAB COc1ccc2cccc(NC(=O)CCc3nc(-c4ccsc4)no3)c2n1 95982777 BMPPKZAAVGUIOY-UHFFFAOYSA-N 380.429 3.926 0 40 GHAB COc1ccc(NC(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1OC 89464635 GFLWWGKEQKOFGV-UHFFFAOYSA-N 391.471 3.913 0 40 GHAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1c(C)cccc1C(C)C 22251655 NLLGWAKGHQZTHU-UHFFFAOYSA-N 390.505 3.775 0 40 GHAB CCCOc1ccc(-c2n[nH]c(Nc3ccc(N4CCOCC4)cc3)n2)cc1 20414287 VXRILNKUFGVFRN-UHFFFAOYSA-N 379.464 3.841 0 40 GHAB COc1ccc(CN2C[C@H]3Cn4c(-c5ccc(OC)cc5)cnc4C[C@H]3C2)cc1 306134057 NCSUQYUOSZPOIV-PMACEKPBSA-N 389.499 3.872 0 40 GHAB Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12CN(CCC(C)(C)C)CCO2 306127660 GEFSAOIXOFACBJ-UZLBHIALSA-N 379.570 3.631 0 40 GHAB COc1cc(NC(=O)CSc2ncnc3c2[nH]c2ccccc23)cc(OC)c1 33172373 LXEIVYMCHMEPFL-UHFFFAOYSA-N 394.456 3.859 0 40 GHAB CCCN1CCCc2cc(CCNC(=O)c3cc(OC)cc(OC)c3)ccc21 35588064 NHKMVRNSIKETNA-UHFFFAOYSA-N 382.504 3.839 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(CC)s3)ccc21 35588142 NJVJFDDGFXBKAW-UHFFFAOYSA-N 392.590 3.994 0 40 GHAB O=C(NC1CCCC1)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 306140138 ULLPSQRWHYXDTI-UHFFFAOYSA-N 385.471 3.919 0 40 GHAB CN1CCN(C(=O)CCCc2ccccc2)C[C@H](COCc2ccccc2)C1 72354529 KGXZTNAXPKEWPA-HSZRJFAPSA-N 380.532 3.616 0 40 GHAB O=C(Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)N1CCOCC1 4340222 LKCKIAZBDMMVNF-UHFFFAOYSA-N 385.803 3.944 0 40 GHAB biogenic Cc1cc(Oc2ccccc2)nc([C@@H]2CCCCN2C(=O)c2cnccn2)n1 72383775 NPCRNUDYLLWSLC-SFHVURJKSA-N 375.432 3.735 0 40 GHAB CC(C)c1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)cnn1-c1ccccc1 529083883 WHTGRLLYWYDEGE-HGRMPGJJSA-N 386.521 3.513 0 40 GHAB COc1cccc(Cc2cccc([C@H]3CCCN(Cc4nccn4C)C3)n2)c1 72350014 NCSVLTYXADFEST-IBGZPJMESA-N 376.504 3.794 0 40 GHAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(-c3cccc(F)c3)o1)C2 32073315 QCVOPPXIILYHCF-MRXNPFEDSA-N 386.404 3.793 0 40 GHAB Cc1nc2cc(NC(=O)C3CN(C(=O)c4ccc(F)c(F)c4)C3)ccc2s1 70840833 GKXNPBCSXSDCOZ-UHFFFAOYSA-N 387.411 3.594 0 40 GHAB COc1ccc(CCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1OC 38849002 QTFWAEWAQQHWIP-SFHVURJKSA-N 396.531 3.908 0 40 GHAB Cc1cc(Nc2ccccn2)cc([C@H]2CCCN(CC(=O)N3CCCCC3)C2)n1 72374832 HYUPURVLKCUJLN-IBGZPJMESA-N 393.535 3.721 0 40 GHAB C[C@H]1CN(Cc2ccccc2NC(=O)c2cc(-n3cccc3)ccn2)C[C@H](C)O1 561719024 SNIQAHIEUQCCSK-ROUUACIJSA-N 390.487 3.734 0 40 GHAB CCOc1ccc2cc(S(=O)(=O)N3CCN=C3c3ccccc3)ccc2c1 41092030 OJIZMTCGGHOAEA-UHFFFAOYSA-N 380.469 3.690 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F 222730536 OIEAAQVXDPHNFY-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB COc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 222703908 DSKMPUFBFYMXFI-SFHVURJKSA-N 396.531 3.878 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2cccc(C)c2)c(C)c1C 223756958 VYEWBZZBHHBBGY-UHFFFAOYSA-N 379.547 3.832 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccc1CN1CCCC1 224779317 IKJYDIVGTDMGPA-QFIPXVFZSA-N 382.504 3.765 0 40 GHAB CCOc1ccc(-c2cc(C(=O)NCCOc3ccccc3OC)no2)cc1 41157500 GFPQVJKYIZJZIY-UHFFFAOYSA-N 382.416 3.558 0 40 GHAB CC(C)NC(=O)c1ccc(Nc2ccc(I)cc2)c(N)c1 225425005 NGMJLSPILIYQEL-UHFFFAOYSA-N 395.244 3.755 0 40 GHAB COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(C)c2C)ccc1Cl 223824333 ISMRNLIREQHCLR-UHFFFAOYSA-N 383.853 3.553 0 40 GHAB COc1ccc2c(ccn2CC(=O)N[C@@H](CC(C)C)c2nnc3ccccn23)c1 96117371 GBQCBWANHQSYCM-SFHVURJKSA-N 391.475 3.596 0 40 GHAB Cc1nc(NC(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)ccc1-c1ccccc1 582888849 RIWQBRIPNVICBH-IEBWSBKVSA-N 391.475 3.832 0 40 GHAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCCO2 96118854 GMPNZPVBMHFEME-UHFFFAOYSA-N 379.460 3.867 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1Cl 242663258 CTSFGIXTKFIRLP-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB Cc1noc(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 257198656 FNTZOFACFLKARG-QRICJDHISA-N 383.536 3.646 0 40 GHAB Cn1cc(CN2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1 257220289 DKHBKOUHDXOKEL-NRFANRHFSA-N 382.895 3.633 0 40 GHAB Cc1cc2cc(CNC(=O)c3ccc(OCC4CCOCC4)nc3)ccc2[nH]1 253407856 WVVGDOFNBATFCK-UHFFFAOYSA-N 379.460 3.607 0 40 GHAB CCC(CC)(C(=O)N1CC[C@@]2(CCCOC2)C1)c1ccc(OC)c(OC)c1 585081441 IDANPGNQQOCDES-NRFANRHFSA-N 375.509 3.791 0 40 GHAB O=C(c1ccccn1)N1CCC[C@@]2(C[C@@H](Oc3ccc(F)c(Cl)c3)CO2)C1 257300764 RVPDEOUDUDCKTL-FOIQADDNSA-N 390.842 3.717 0 40 GHAB CC(C)c1cc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)on1 257296436 RCVVJWUKIZJJDU-UTKZUKDTSA-N 388.439 3.780 0 40 GHAB COc1ccc2c(c1)[C@@H](C(=O)N[C@@H](CCC(=O)O)Cc1ccccc1)CCC2 655540824 NMCDLILWJAMUGL-ICSRJNTNSA-N 381.472 3.707 0 40 GHAB CO[C@H]1CCCN(c2ccc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc2)C1 96122489 KKPKFUBZPRHSOW-QFIPXVFZSA-N 390.487 3.799 0 40 GHAB Cc1sc2[nH]c(CCC(=O)NC3(c4ccc(F)cc4)CCC3)nc(=O)c2c1C 51418933 HTRWMUHFOYVAKD-UHFFFAOYSA-N 399.491 3.869 0 40 GHAB COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc1OC 5575487 RZKNNMZCKKCCAG-KRWDZBQOSA-N 385.803 3.639 0 40 GHAB CCOc1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCO4)c(OCC)c1 13561595 NWIBQYLRJCMFAE-UHFFFAOYSA-N 382.416 3.666 0 40 GHAB Cc1cccc(C2(CNC(=O)[C@@H](C(C)C)n3nc(C)cc3C)CCOCC2)c1 19234527 HHLUOLOEUYXLBP-OAQYLSRUSA-N 383.536 3.870 0 40 GHAB Cn1c(CCNCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)nc2ccccc21 19289923 DNVVZRZFDSZDBA-UHFFFAOYSA-N 392.890 3.914 0 40 GHAB Fc1cccc(CN(CCCn2ccnc2)Cc2ccnc(N3CCCC3)n2)c1 19293767 BNCQGPQXJPJUHH-UHFFFAOYSA-N 394.498 3.505 0 40 GHAB CCC(=O)N1CC[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(CC)CC)C1 19498447 NGCOTMYDGPNPDG-DEOSSOPVSA-N 393.531 3.788 0 40 GHAB COc1ccc2nc(CN[C@@H]3CCC(=O)N[C@H]3c3cc(F)cc(F)c3)ccc2c1 19563713 WKRLBLKVFYTMNW-IRLDBZIGSA-N 397.425 3.631 0 40 GHAB CNc1cc([C@H]2CCCN(C(=O)c3csc(C)c3)C2)nc(-c2cccnc2)n1 19571757 LBJLADGKSWTMMI-INIZCTEOSA-N 393.516 3.970 0 40 GHAB Cc1cc(C(F)F)n2ncc(C(=O)Nc3cccc(Cn4ccnc4C)c3)c2n1 19714893 IPVQTJNMQSPKAO-UHFFFAOYSA-N 396.401 3.781 0 40 GHAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(CC(C)(C)C)CC2)cc1 19756570 BUHQZZGZRGAELZ-UHFFFAOYSA-N 398.551 3.982 0 40 GHAB Cc1s/c(=N\C(=O)c2cccnc2)n(C)c1-c1ccc(Br)cc1 6280074 PAAHRZJNGAAFIP-JZJYNLBNSA-N 388.290 3.961 0 40 GHAB Cc1cc(=O)c(C(=O)N(c2ccccn2)C2CCCC2)nn1-c1ccccc1F 154605776 SCWGFACXCJCVBK-UHFFFAOYSA-N 392.434 3.664 0 40 GHAB CC(=O)Nc1cccc(-n2cnn(CN(C)[C@H]3CCc4ccccc43)c2=S)c1 26554573 BKHCMHXVLYQLIX-FQEVSTJZSA-N 393.516 3.938 0 40 GHAB O=C(c1cc(Br)ccc1O)N1CCC([C@H](O)c2ccccc2)CC1 31268172 SPGPFFPJTQFFEN-GOSISDBHSA-N 390.277 3.741 0 40 GHAB COc1c(C)cccc1C(=O)NC(=S)Nc1nc2ccc(F)cc2s1 4694850 CUBPPXQEFIWHHS-UHFFFAOYSA-N 375.450 3.879 0 40 GHAB O=C(CSc1nnc2ccc(-c3ccc(F)cc3)nn12)Nc1ccccc1F 5168035 KCEFGZBQWIQKGL-UHFFFAOYSA-N 397.410 3.800 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 5252370 JDRLMVRCFGLYER-UHFFFAOYSA-N 388.464 3.624 0 40 GHAB O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 5252366 ACFCFEDQALOZCX-UHFFFAOYSA-N 390.892 3.830 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1C 5330107 RJUFBPRWPKAPKY-UHFFFAOYSA-N 388.489 3.630 0 40 GHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(CC)s3)ccc21 8840566 KBNXXKWVAAZOPJ-UHFFFAOYSA-N 378.519 3.801 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 10812182 DNOVSRXLJQQAAO-CQSZACIVSA-N 398.937 3.892 0 40 GHAB Cc1ccc(-n2nnnc2-c2cnc(-c3cnccn3)nc2-c2cccs2)cc1 16311662 LXCCONXFWCOTKW-UHFFFAOYSA-N 398.455 3.613 0 40 GHAB O=c1[nH]c(=S)n(CCc2ccccc2)c2c1CN(CCc1ccccc1)CN2 19939110 NJKSWCORDKWIMY-UHFFFAOYSA-N 392.528 3.576 0 40 GHAB CCN(c1ccsc1C(=O)N1CCC(C)CC1)S(=O)(=O)c1ccccc1 49004200 MODGNTZXGHNEMZ-UHFFFAOYSA-N 392.546 3.835 0 40 GHAB Cc1cnc(-n2nnc(C(=O)Nc3nc4ccc(Cl)cc4s3)c2C)s1 49032473 FDSRSRNLGPFJGO-UHFFFAOYSA-N 390.881 3.856 0 40 GHAB Cn1nccc1-c1ccc(CNC(=O)c2cccc(Oc3ccccn3)c2)cn1 575620448 SRPVCQZMQOGOSK-UHFFFAOYSA-N 385.427 3.599 0 40 GHAB C[C@@H]1Nc2ncnn2[C@@H](c2ccccc2F)[C@@H]1C(=O)Nc1ccc(Cl)cc1 11694854 KYYPOJIBWZWYNG-JECHBYEQSA-N 385.830 3.729 0 40 GHAB COC(=O)c1ccc(CN2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1 96024384 MBGRBGBSRHTEAT-UHFFFAOYSA-N 383.473 3.964 0 40 GHAB Cc1nc2ccc(Br)cc2c2c1C[C@@H](COC(=O)c1cccnc1)O2 1280528 GDJIZQAFBCWIEY-AWEZNQCLSA-N 399.244 3.861 0 40 GHAB biogenic COc1ccc(CNc2nc(C(=O)NCc3ccccc3OC)cs2)cc1 40266769 NRPCKTPEWGSAHU-UHFFFAOYSA-N 383.473 3.702 0 40 GHAB O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(Br)o1 50474725 VZWCGNWAJIOXDZ-UHFFFAOYSA-N 377.238 3.807 0 40 GHAB CCc1ccccc1NC(=O)CN1CCN(c2ncc(Cl)cc2Cl)CC1 32717263 FVXNCFRVNKIFRV-UHFFFAOYSA-N 393.318 3.712 0 40 GHAB CS(=O)(=O)c1ccccc1NC(=O)COc1ccccc1-c1ccccc1 32764932 OSJHSYDTPMGJMI-UHFFFAOYSA-N 381.453 3.775 0 40 GHAB CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2)c(Br)c1 1857793574 SSKHFAVAHFBRLC-UHFFFAOYSA-N 385.254 3.754 0 40 GHAB O=C(Nc1ccc(Br)cc1F)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 665327 CCHWYSNBDQHGPU-SNVBAGLBSA-N 395.203 3.719 0 40 GHAB CCn1c(=O)n(CCC(=O)N(C)[C@H]2CCCc3ccccc32)c2ccccc21 32847893 AWYHJYLVYYHJRP-IBGZPJMESA-N 377.488 3.749 0 40 GHAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc2ncccc2c1 79192410 OBXGNYNHWMFVBS-WIYYLYMNSA-N 387.391 3.797 0 40 GHAB biogenic CC1=CC[C@@H]2C(=O)N(c3ccc(OCC(=O)c4ccccc4)cc3)C(=O)[C@H]2C1 102553849 FLWMRVNWDBWABL-PMACEKPBSA-N 375.424 3.794 0 40 GHAB O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1F 7758403 UVIDQXYFEMJDLO-UHFFFAOYSA-N 392.386 3.737 0 40 GHAB C[C@H](NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1Cl 12284502 XTMXYLYLPIFSMT-IRXDYDNUSA-N 399.922 3.868 0 40 GHAB CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Cl)cc1 8414765 ZBGFZYDTPPMMGP-UHFFFAOYSA-N 388.851 3.803 0 40 GHAB CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](C)[C@@]4(O)C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 8618880 PPWXHEFVBQBHDR-MCCSVARDSA-N 392.536 3.863 0 40 GHAB CCOC(=O)[C@]12C(=O)Oc3ccccc3[C@@H]1[C@@]2(C)C(=O)c1ccc(Cl)cc1 103587136 YQAUVUQKQPSJPX-CZAAIQMYSA-N 384.815 3.795 0 40 GHAB Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)c(C)c1 42192290 SDVNXTODAHTXTA-UHFFFAOYSA-N 376.478 3.550 0 40 GHAB NC(=O)[C@@H](NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 53945087 CCUYKEXHPKRYCU-FQEVSTJZSA-N 387.464 3.920 0 40 GHAB Cc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)c(C)c1 824153 CCEGBTFZUBKZPM-UHFFFAOYSA-N 382.485 3.861 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(F)cc1 882864 NNXIPEQJLRHXQX-UHFFFAOYSA-N 379.420 3.685 0 40 GHAB S=C1SCCN1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22903684 XWJFWGYSIZMJNW-UHFFFAOYSA-N 383.586 3.685 0 40 GHAB O=C(O)c1ccc(F)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 24432887 PGKYGOXJERKDBI-UHFFFAOYSA-N 397.733 3.997 0 40 GHAB COc1ccc(CNC(=O)CSc2nnc(NC3CCCCC3)s2)cc1 3292018 YUYVSYSKZYPHFF-UHFFFAOYSA-N 392.550 3.700 0 40 GHAB CCOc1ccccc1C(=O)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101323097 VDUOPAHSIDLOEZ-IAGOWNOFSA-N 399.512 3.695 0 40 GHAB COc1ccc([C@H]2CC(=O)[C@@H]3C=Nc4ccccc4N[C@@H]3C2)c(OC)c1OC 100855751 DXUMWCIVUIPWJB-DDUZABMNSA-N 380.444 3.972 0 40 GHAB Cc1nc(SCC(=O)N2CCOCC2)c2cc(-c3ccccc3)sc2n1 1465573 GCKNRWXPJWYFGL-UHFFFAOYSA-N 385.514 3.618 0 40 GHAB Cc1nc2ccc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)cc2nc1C 48237196 ZABYHXCKRZLQJW-UHFFFAOYSA-N 396.878 3.989 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1C 106923312 BXBFBOXCDAQKED-HQWTYURQSA-N 386.561 3.911 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)NC(C)(C)C)n2CC(C)C)cc1 3319397 RWJNZJSWINLTRF-UHFFFAOYSA-N 376.526 3.617 0 40 GHAB CCOc1ccc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)[nH]c2c1 3399018 HSCXHGPRYRSCRK-UHFFFAOYSA-N 384.461 3.651 0 40 GHAB Cc1nc2ccccc2n1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 43948539 ZPDFEKLYZMOEEB-ZDUSSCGKSA-N 394.500 3.598 0 40 GHAB CCN(C(=O)CSc1nnc(COc2ccc(OC)cc2)o1)c1ccccc1 3360357 JBFLECIDCMVJQA-UHFFFAOYSA-N 399.472 3.802 0 40 GHAB CC(C)(C)c1cc(NC(=O)CN2CCC(CCc3ccc(O)cc3)CC2)on1 26114752 UYKFUGXPRAOMRR-UHFFFAOYSA-N 385.508 3.961 0 40 GHAB COc1ccc(-c2nn([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)c(=S)o2)cc1 3330611 ZKIRQVPFBSWTJK-HNNXBMFYSA-N 399.403 3.525 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)no1 3341267 SOZLOORITLIWTP-UHFFFAOYSA-N 391.383 3.895 0 40 GHAB Cn1c(SCCCc2nc(-c3cccs3)no2)nnc1-c1ccncc1 12748638 BZOPRCAJSRRTJS-UHFFFAOYSA-N 384.490 3.714 0 40 GHAB CC(C)C[C@H](C(=O)Nc1ccnn1C1CCCC1)N1C(=O)c2ccccc2C1=O 12745991 OIOAKCLLHUOCQX-GOSISDBHSA-N 394.475 3.648 0 40 GHAB CC(C)(C)n1nc(C(=O)Nc2cccc(-c3ccc(O)nn3)c2)cc1C1CC1 58423553 SUYARCZJWHKEIM-UHFFFAOYSA-N 377.448 3.930 0 40 GHAB CC(C)CN1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 58429017 IYAOTZFZHODFSF-KRWDZBQOSA-N 392.975 3.586 0 40 GHAB COc1ccc([C@H](CC(=O)NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 2221697 CCWNANOHUGFNHI-LJQANCHMSA-N 375.490 3.638 0 40 GHAB CCCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c(C)nn1-c1ccccc1 2435219 VKCNNVKOAWYACA-UHFFFAOYSA-N 377.444 3.955 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 36837647 JEPAMZNOKIBIMD-SJORKVTESA-N 392.377 3.661 0 40 GHAB Cc1cc2nc(C)c(CCC(=O)Nc3cccc(NC(=O)C4CC4)c3)c(C)n2n1 12972837 SMIMIZWDHSPXCM-UHFFFAOYSA-N 391.475 3.574 0 40 GHAB COC(=O)c1cc(NCC(=O)Nc2ccc(C)cc2Br)ccc1F 12949419 BVRKXGAKXOOFPP-UHFFFAOYSA-N 395.228 3.734 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCCCC2)c1 3895770 OZWSNYMKAQVKCR-GOSISDBHSA-N 376.497 3.754 0 40 GHAB CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCCc1ccccc1 4066350 WMTYLWZOHUMGHX-NRFANRHFSA-N 394.471 3.889 0 40 GHAB Cc1c(/N=c2\scc(-c3ccccc3)n2C)c(=O)n(-c2ccccc2)n1C 13566880 UYJAZJKOGIYDNI-DQRAZIAOSA-N 376.485 3.784 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CSc3ccccc3F)CC2)c(F)c1 8720609 BGRCNNXJPCFYIA-UHFFFAOYSA-N 390.455 3.608 0 40 GHAB O=C(NCc1ccco1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 65095706 JMOREEOIONYTLN-UHFFFAOYSA-N 379.807 3.506 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)c3c[nH]c4ccccc34)CC2=O)cc1 5105463 ZTQAVEPDODMHOG-INIZCTEOSA-N 390.439 3.509 0 40 GHAB CN(Cc1cccs1)C(=O)COC(=O)c1ccccc1C(=O)c1cccs1 39973564 HTICZVNCORQUIY-UHFFFAOYSA-N 399.493 3.856 0 40 GHAB O=C(NCc1ccccc1)c1c(O)n(Cc2ccccc2)c2ccccc2c1=O 6229290 JGCLBGDLYGTNQB-UHFFFAOYSA-N 384.435 3.685 0 40 GHAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)cc1 5302204 PPXJWZAYOYZWKR-IBGZPJMESA-N 388.379 3.848 0 40 GHAB C[C@H](c1nnc(-c2cccs2)o1)N1CCC(NC(=O)c2ccccc2)CC1 14708317 YVJUOKKYWLHPJW-CQSZACIVSA-N 382.489 3.754 0 40 GHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 5773412 LIUMLXYLESSEHN-UHFFFAOYSA-N 398.459 3.655 0 40 GHAB O=C(CNC(=O)c1ccco1)Nc1nc(-c2cccc3ccccc23)cs1 6968419 ZMWBWPHHPIYIAZ-UHFFFAOYSA-N 377.425 3.925 0 40 GHAB COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 118933581 UCCSDQHGWDGDPS-OABVHFJBSA-N 378.553 3.786 0 40 GHAB O=C(CSc1nc2ccccc2o1)N1CCN(c2cccc(Cl)c2)CC1 7499421 UXEQRQFPAWWTTP-UHFFFAOYSA-N 387.892 3.922 0 40 GHAB CN(Cc1ccco1)C(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 7986016 RGHRRFNGEHMTHR-HXUWFJFHSA-N 393.443 3.830 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(OCc2cscn2)c1 16705709 UVWQDJHFZSNSOQ-UHFFFAOYSA-N 395.484 3.811 0 40 GHAB O=C1NC(=O)c2ccccc2/C1=C\Nc1nc(SCc2ccccc2)ns1 16720184 KKHGCURZVYACMJ-XNTDXEJSSA-N 394.481 3.553 0 40 GHAB Cc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccoc5)CCN4C)nnn3c2)cc1 306130045 IUXRICGMQZKUGX-QFIPXVFZSA-N 387.487 3.786 0 40 GHAB COCc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 25335459 VGDSAELSPMFQKH-UHFFFAOYSA-N 396.468 3.886 0 40 GHAB Cc1cnc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)s1 9694179 YUWUWZMBVHHXEC-UHFFFAOYSA-N 377.425 3.500 0 40 GHAB O=C(Cn1nc(-c2cccs2)oc1=O)N(c1ccccc1)C1CCCCC1 9752415 WWCJSTREBNWOOV-UHFFFAOYSA-N 383.473 3.931 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1csc(-c2ccc(C)o2)n1)c1ccc(F)cc1 84195530 LCZCYKQLQZORBW-CQSZACIVSA-N 388.420 3.885 0 40 GHAB COc1cc([C@H](c2c(C)[nH]c3ccccc23)N2CCOCC2)cc(OC)c1OC 21670511 ZXFMWBLSMWEDIZ-JOCHJYFZSA-N 396.487 3.924 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H](CNc2cccc(N3CCOC3=O)c2)C1 95412772 OAGILNGQDNXOME-OAHLLOKOSA-N 375.469 3.702 0 40 GHAB O=C(c1cc(Br)ccc1Cl)N1C[C@@H](CO)Oc2ccccc21 89865588 BGIJXYPQJDKTTA-NSHDSACASA-N 382.641 3.503 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 39749670 ILRCOCCPMPYMES-UHFFFAOYSA-N 380.488 3.941 0 40 GHAB COc1ccc(CN2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)cc1 306126437 DVWXTTQKPJHZCK-NRFANRHFSA-N 381.501 3.795 0 40 GHAB CN(Cc1cc(-c2ccccc2)on1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 503210516 XWROCJKVFKOEGF-QGZVFWFLSA-N 388.876 3.955 0 40 GHAB Cc1ccccc1OCc1ccc(C(=O)NCC(=O)Nc2ccc(F)cc2)o1 408559644 ANHZDROOUJXEIW-UHFFFAOYSA-N 382.391 3.675 0 40 GHAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(C)n3)C2=O)c1 409318328 VRFPIPUFZSRQQR-LICLKQGHSA-N 381.457 3.682 0 40 GHAB O=C(CN1CCC[C@@H](Cn2ccnc2)C1)Nc1ccc(N2CCCCCC2)cc1 72399258 NERJRFQIPFBTFN-HXUWFJFHSA-N 395.551 3.614 0 40 GHAB CCOC(=O)COc1cccc(NC(=O)c2cccc(Br)c2)c1 32035024 ZSXADALRYVXQRX-UHFFFAOYSA-N 378.222 3.643 0 40 GHAB CC(C)Cn1c(SCC(=O)Nc2nccs2)nnc1-c1cccc(F)c1 72191645 VHFCFGSOJQQFPN-UHFFFAOYSA-N 391.497 3.928 0 40 GHAB Cc1ccnn1CCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 72362546 YRFROGNFYJYZKN-GOSISDBHSA-N 391.475 3.570 0 40 GHAB COC(=O)c1ccc(Cn2c(=O)nc(-c3cccs3)c3nc(C)sc32)cc1 32616326 QIDKKVQYDCMESM-UHFFFAOYSA-N 397.481 3.725 0 40 GHAB Cc1ccc(C)c(Cn2c(CCNC(=O)CCC[C@@H](C)O)nc3ccccc32)c1 41146078 FSRVMNZCMQPFJH-LJQANCHMSA-N 393.531 3.911 0 40 GHAB Nc1ccc(CN2CCN(C(=O)OCc3ccccc3)CC2)cc1C(F)(F)F 44563856 QXENJSVNMPIBJG-UHFFFAOYSA-N 393.409 3.742 0 40 GHAB O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1OCc1ccccc1 225261284 HPISGTXENYIGIL-SFHVURJKSA-N 375.424 3.835 0 40 GHAB COc1ccc(NC(=S)NCc2nc(-c3ccccc3C)no2)c(OC)c1 225828428 BAYNKPCXRJDDPX-UHFFFAOYSA-N 384.461 3.549 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 223935950 PYOKPORQYVBGKD-QINHECLXSA-N 384.501 3.714 0 40 GHAB CCOc1ccccc1NC(=S)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 225722822 HDSIMJDNDIJNKV-INIZCTEOSA-N 392.546 3.927 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)cc(C)c1 225039379 MWZKHELTPZQSNE-LJQANCHMSA-N 396.531 3.798 0 40 GHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1OC(C)C 40156906 LFPYODVNUGVQHS-UHFFFAOYSA-N 384.476 3.706 0 40 GHAB CCOc1ccccc1OCC(=O)NCc1ccc(N2CCCCCC2)nc1 40122069 MTXSQHOOULLERK-UHFFFAOYSA-N 383.492 3.556 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 224878983 URTAMYNNKNDKTP-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 223653402 ZSYDXBFJUAYRTN-UHFFFAOYSA-N 377.462 3.796 0 40 GHAB CC(=O)N1C[C@@H](COCC2CC2)C2(CCN(Cc3sccc3C)CC2)C1 253598363 AAQZPPWDUWFVNV-IBGZPJMESA-N 376.566 3.544 0 40 GHAB CCn1ccnc1CN1CC2(CO[C@@H]3c4cccc(OC)c4OC(C)(C)[C@H]3C2)C1 257317962 VLXLTSXUBPDSGL-FXAWDEMLSA-N 397.519 3.662 0 40 GHAB O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H](Cc1ccccc1)CC1CCCCC1 584906634 FKFKBEPDWGREFK-PMACEKPBSA-N 377.550 3.509 0 40 GHAB C[C@H](N[C@H](c1ccccc1)c1cccc(F)c1)c1cccc(S(N)(=O)=O)c1 540315662 ITXVVIZPYXZZLJ-YCRPNKLZSA-N 384.476 3.913 0 40 GHAB COc1ccc(Cn2nc(C)c(CN3CCC(c4c[nH]nc4C)CC3)c2C)cc1 585081455 NAQWBPIOIGSIDB-UHFFFAOYSA-N 393.535 3.968 0 40 GHAB Cc1cc(Cc2ccccc2C)cc([C@H]2CN(Cc3cn(C)nc3C)CCO2)n1 257285001 PFFGSWYUAIUZLM-XMMPIXPASA-N 390.531 3.905 0 40 GHAB CCc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 260587979 CZFDRFWDICPKTP-SJORKVTESA-N 388.533 3.589 0 40 GHAB COc1cccc2ccn(CCC(=O)NCCc3cn(C)c4ccccc34)c12 604419619 PHDRXFNTEXNDOZ-UHFFFAOYSA-N 375.472 3.891 0 40 GHAB O=C(c1nc2ccccc2s1)N1CC(Oc2nc3c(F)cccc3s2)C1 90593962 HCWBJHPWAXNUIA-UHFFFAOYSA-N 385.445 3.949 0 40 GHAB COc1cccc2sc(OC3CN(C(=O)c4ccccc4SC)C3)nc12 90594226 WTMHHWCVTQTBHY-UHFFFAOYSA-N 386.498 3.930 0 40 GHAB C[C@H]1CN(c2ccnc(C(=O)Nc3cccc(-n4cccc4)c3)c2)C[C@H](C)O1 1629575920 JOCMGXPZTXVAEU-IRXDYDNUSA-N 376.460 3.738 0 40 GHAB COc1ccc(-c2ccc(-c3noc(Cc4nnn(C(C)(C)C)n4)n3)cc2)cc1 664801442 NOQDPYZYXYCPNX-UHFFFAOYSA-N 390.447 3.745 0 40 GHAB O=C(c1ccc(O)nc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 585182427 SIPKKEHZHILXOB-GOSISDBHSA-N 381.407 3.873 0 40 GHAB CCOCCOc1ccc(CN(C)C[C@@H](O)COc2ccc(C)cc2C)cc1 585269796 JXWNYXGEKSSCKM-OAQYLSRUSA-N 387.520 3.590 0 40 GHAB O=C(C[C@H]1OCCc2ccsc21)NCc1nn(-c2ccccc2)c2c1CCC2 89857551 CTPWZPOBCZFOQY-HXUWFJFHSA-N 393.512 3.743 0 40 GHAB C[C@H](CC(=O)O[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)NC(=O)C1CCCC1 95468932 FIOKYDCEBMZPJI-DBXWQHBBSA-N 386.536 3.525 0 40 GHAB Cc1cccc(-c2nc3s/c(=C\c4ccc(Cl)c(Cl)c4)c(=O)n3n2)c1 2382479 NQWHGKAHEVUIRV-DHDCSXOGSA-N 388.279 3.981 0 40 GHAB COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)c1 5025150 PQRVWPARMRBAIK-UHFFFAOYSA-N 386.864 3.974 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(O)c2)N1Cc1ccco1 5150074 QMUOGUWCCJAGOB-IBGZPJMESA-N 391.354 3.976 0 40 GHAB C[C@@H]1CN(C)CC[C@@H]1CCc1ccc(NC(=O)c2cnn3cccnc23)cc1 12182141 LXRSIIATOJFJAP-AEFFLSMTSA-N 377.492 3.502 0 40 GHAB CN(CCCNC(=O)c1ccccc1I)c1ccccc1 14597777 HTLVOUSJQUWTBL-UHFFFAOYSA-N 394.256 3.548 0 40 GHAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(Cl)c2C)cc1C 15431906 IXWOKBSVDRRFMB-UHFFFAOYSA-N 380.897 3.572 0 40 GHAB O=C(COCc1cc(-c2cccs2)on1)NCCc1ccc(Cl)cc1 15679217 BMQIMFCNWYOHBA-UHFFFAOYSA-N 376.865 3.932 0 40 GHAB C[C@H]1CCCN(c2cc(C(=O)N3CCCC[C@@H]3CCN3CCCC3)ccn2)C1 19496618 CHOLBNBCTWXMEK-PZJWPPBQSA-N 384.568 3.799 0 40 GHAB O=C(Nc1cccnc1)[C@]1(F)CCN(c2nc3c(F)cc(F)cc3s2)C1 1888914306 QUKNLDHFNUHLLK-KRWDZBQOSA-N 378.379 3.527 0 40 GHAB COc1c(Br)cc(CN[C@@H](C)[C@H]2CCCO2)cc1Br 36325301 WABWGAIOYKYRMC-TVQRCGJNSA-N 393.119 3.877 0 40 GHAB C[C@H]1NC(=O)N[C@H]1CCCCCC(=O)NC(c1ccccc1)c1ccccc1 4690243 MJLWFWCJUSOXEQ-XLIONFOSSA-N 379.504 3.913 0 40 GHAB O=C(C[C@H](NCCC1=CCCCC1)C(=O)O)Nc1ccc(OC(F)F)cc1 5258789 AUJWFRQCUVCYKW-INIZCTEOSA-N 382.407 3.550 0 40 GHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)cc1OC 9320936 PDJDSSMJSFIQSD-INIZCTEOSA-N 393.443 3.891 0 40 GHAB O=C(NCc1cccc2ccccc12)Nc1cccc(N2CCCS2(=O)=O)c1 22505897 DPKVZIIMCSOQGI-UHFFFAOYSA-N 395.484 3.701 0 40 GHAB Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CCCC2 49404728 HROLJAQGKHCLPE-UHFFFAOYSA-N 399.800 3.741 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2nn(-c3ccccc3)c3ccccc3c2=O)cc1 49410107 CZPZDBUADAWVRS-UHFFFAOYSA-N 398.422 3.596 0 40 GHAB O=C(NC[C@@H](c1cccs1)n1cccn1)c1ccc(OC(F)(F)F)cc1 575612556 BDCFJQPUPUVUAK-AWEZNQCLSA-N 381.379 3.863 0 40 GHAB Cc1ccc(-n2ncc(C(=O)N(C)CC3CCN(C)CC3)c2C(F)(F)F)cc1 103451987 ACSJXSLXOWZIAL-UHFFFAOYSA-N 394.441 3.613 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)CCOc1cccc(Cl)c1 40001026 UEPHGRBGSFPZNF-UHFFFAOYSA-N 377.916 3.889 0 40 GHAB Cc1cc([C@H](C)NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c(C)s1 40074216 IVVHNOJEIBKXBC-LBPRGKRZSA-N 381.457 3.698 0 40 GHAB O=C(c1ccoc1)N1CCC(NCc2cc(Cl)ccc2OC(F)F)CC1 30668543 HWGQUWDDNSMXMG-UHFFFAOYSA-N 384.810 3.929 0 40 GHAB CSc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)cc1 20728724 ATYWVDAJXXWSPE-CYBMUJFWSA-N 391.460 3.693 0 40 GHAB CN(C(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1)[C@H]1CCCc2ccccc21 29538780 RCIWSKURDWTLDH-FCHUYYIVSA-N 382.479 3.735 0 40 GHAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 46468644 OVPZBCNYZKRDLO-RBUKOAKNSA-N 386.496 3.677 0 40 GHAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)NC(=O)NCCc1cccs1 46586846 GYCMKHXEZLLRSZ-CQSZACIVSA-N 385.489 3.556 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)NC2CCCC2)n1Cc1ccco1 1361188 QAAXNERROSRGBB-UHFFFAOYSA-N 386.477 3.639 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 1368076 MGFJCJMAVFTRFN-NEPJUHHUSA-N 391.562 3.603 0 40 GHAB CCOC(=O)[C@@](O)(CC)c1cc[n+](Cc2cc3ccccc3nc2Cl)cc1C 1619208 HTMARNDGEJABCY-JOCHJYFZSA-N 399.898 3.693 0 40 GHAB COc1ccc(C)cc1CC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 79049153 MYSQIKGPKLQFRC-IBGZPJMESA-N 383.879 3.802 0 40 GHAB CC(C)Oc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2N)c1 2365949 GSAYPGQSKLPDCR-UHFFFAOYSA-N 380.477 3.615 0 40 GHAB COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 2486544 DHAOJRGMBAQRMU-LLVKDONJSA-N 381.494 3.879 0 40 GHAB CC[C@H](C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)c1ccccc1 32924970 OFCZUIPNSBRMDQ-QFIPXVFZSA-N 378.516 3.920 0 40 GHAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCC(C)CC2)cc1 4697023 RQSLBGLHHUUCFS-LTGZKZEYSA-N 378.472 3.725 0 40 GHAB O=C(COC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2)NC1CCCCC1 6589703 APWISLPPDXKADT-BQYQJAHWSA-N 393.867 3.507 0 40 GHAB CC[C@H](Oc1ccccc1)C(=O)Nc1nn2c(-c3ccccc3)nnc2s1 6818247 QFLXFYWBTWCHLD-HNNXBMFYSA-N 379.445 3.649 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(-n2cccc2)c1 7784758 KEFUDSNFOQZOOI-UHFFFAOYSA-N 376.384 3.726 0 40 GHAB Cc1ccc([C@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4cccc(F)c4)cnn32)cc1 102810831 HGFHVNKAJIARSW-GOSISDBHSA-N 392.390 3.566 0 40 GHAB Clc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCSCC2)cc1 57675048 OMVOIQOJAQKYML-IBGZPJMESA-N 399.951 3.707 0 40 GHAB Cc1ccccc1Cn1nc(C)c(NC(=S)NCc2c(C)nn(C)c2C)c1C 2803076 QVEVVIABAONIMF-UHFFFAOYSA-N 396.564 3.694 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810010 BLANRKZNQDUHDV-LLVKDONJSA-N 384.860 3.808 0 40 GHAB C[C@@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)N1CCOCC1 12424624 VGRRLWVBTGHKJJ-CYBMUJFWSA-N 385.514 3.698 0 40 GHAB O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1ccc2ccccc2n1 58157765 KKGORGWJEUOZPM-UHFFFAOYSA-N 379.423 3.899 0 40 GHAB Cc1noc(-c2ccc(C(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)cc2)n1 23004385 VBWNCGGEJVIFFK-HXUWFJFHSA-N 393.443 3.943 0 40 GHAB C[C@H](CNC(=O)[C@@H](C)OC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1 23328857 JLQZHUOWGLFTRU-QZTJIDSGSA-N 376.456 3.943 0 40 GHAB CCOC(=O)c1ccc(Nc2nnc(Cc3ccccc3Cl)c(O)n2)cc1 9669275 OOQSCVAETXXDRH-UHFFFAOYSA-N 384.823 3.742 0 40 GHAB Cc1c(C(=O)NCc2ccc(F)cc2)cnn1-c1ccc(C(F)(F)F)cn1 23684451 PDQFQXUOZGJQRX-UHFFFAOYSA-N 378.329 3.664 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)cc2)cc1 1101649 QQUXWECZKQQVTN-YRISNDGFSA-N 398.528 3.739 0 40 GHAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 100750218 QIHYOIQIBJECQL-YYDVJCTNSA-N 383.511 3.989 0 40 GHAB COc1ccc(C(C)(C)C)cc1CN1[C@H]2CC[C@H]1CC(O)(c1nccn1C)C2 100763522 MNXOUJBJJDGSTN-OALUTQOASA-N 383.536 3.741 0 40 GHAB Nc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 1387369 FEPFZAXWXDKZDG-UHFFFAOYSA-N 380.256 3.865 0 40 GHAB Cc1cccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1C 113940463 XZDAGNZFDOJORR-CQSZACIVSA-N 380.897 3.750 0 40 GHAB CN(C)C1(CNC(=O)c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 27580355 PVIAWIRXPOVGPR-UHFFFAOYSA-N 385.939 3.666 0 40 GHAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2cccc(Cl)c2Cl)NC(=O)N1C 10354109 XLVHTNKTOCBOHM-OAHLLOKOSA-N 395.246 3.899 0 40 GHAB COc1cc(NC(=O)[C@@H](C)OC(=O)Cc2c(F)cccc2Cl)cc(OC)c1 11028480 UTGXBGOWBNABFR-LLVKDONJSA-N 395.814 3.609 0 40 GHAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 48302589 XYJVNGQVWLVCCV-IIAWOOMASA-N 390.471 3.731 0 40 GHAB COCCNc1nnc(Sc2nc(-c3ccncc3)nc3ccccc23)s1 12805457 SDQBVJFKMWBLGA-UHFFFAOYSA-N 396.501 3.753 0 40 GHAB COc1ccc(-c2c(C)nc3nc(SCc4ccccc4)nn3c2N)cc1 20676175 RWVJSQOXDDISOY-UHFFFAOYSA-N 377.473 3.983 0 40 GHAB CCc1c(C(=O)Nc2n[nH]c(-c3ccc(F)cc3)n2)cnn1-c1ccc(C)cc1 12949597 VOVNHQJXDJDQLW-UHFFFAOYSA-N 390.422 3.920 0 40 GHAB Cc1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[nH]n1 64725277 MVLIUTFZWOFKLL-UHFFFAOYSA-N 375.407 3.891 0 40 GHAB CC(C)CNC(=O)c1c(NC(=O)c2ccccc2)sc2ccccc2c1=O 5030992 RSIQUZGZFMPRIH-UHFFFAOYSA-N 380.469 3.900 0 40 GHAB O=C(O)Cc1ccc(OCCCCCCOc2ccc(CC(=O)O)cc2)cc1 4207998 RHSZHAREJKVKEF-UHFFFAOYSA-N 386.444 3.959 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 4285793 WDSBLRDJORDHQK-AAEUAGOBSA-N 391.562 3.650 0 40 GHAB O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cccs1)Nc1ccccc1 6282547 JALCKZDBYFUHSB-KRWDZBQOSA-N 391.452 3.744 0 40 GHAB CC(C)=C(NC(=O)c1ccccc1Cl)C(=O)NCCc1nc2ccccc2[nH]1 5207039 KGOXAEHSVMYNTO-UHFFFAOYSA-N 396.878 3.599 0 40 GHAB COc1cc(/C=C/C(=O)N[C@H](C)C(=O)O)ccc1OCc1ccc(Cl)cc1 62715133 MJSMKWTVQMQFRC-BCRSCGJKSA-N 389.835 3.530 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1 65531760 QOFCXWSCTPUIJA-GJZGRUSLSA-N 387.455 3.874 0 40 GHAB CNC(=O)c1c(NC(=O)c2cc(=O)c3ccc(C)cc3o2)sc2c1CCCC2 5347841 USILKNYXXDOVPP-UHFFFAOYSA-N 396.468 3.654 0 40 GHAB O=C(Nc1ccccc1F)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5439389 FSTWPAIBFATQSD-UHFFFAOYSA-N 382.844 3.661 0 40 GHAB COc1ccc2c(c1)c1ncnc(N3CCN(c4ccccc4F)CC3)c1n2C 5516128 NSTWDZINXCIGCI-UHFFFAOYSA-N 391.450 3.596 0 40 GHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3sccc3C)C2=O)cc1 4741021 AQIIQJLUTDYOKJ-OQLLNIDSSA-N 388.470 3.740 0 40 GHAB CCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1C 67217282 KQVLZZLHHZTTDM-UHFFFAOYSA-N 387.530 3.682 0 40 GHAB O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)NCc1cccs1 7023997 MMOQWKGRUWTXMW-UHFFFAOYSA-N 381.482 3.503 0 40 GHAB COc1cccc(N2CCN([C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)c1 7244024 IKBPWGPVEFAGDV-SFHVURJKSA-N 381.520 3.968 0 40 GHAB Cc1nc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)sc1C 7341956 DGERJDFIACDVCQ-UHFFFAOYSA-N 393.925 3.940 0 40 GHAB Cc1sc2ncn(CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)c(=O)c2c1C 7824430 ZSKONZWHKGLMBZ-AWEZNQCLSA-N 395.528 3.831 0 40 GHAB Cc1sc2ncnc(SCC(=O)c3ccc(S(C)(=O)=O)cc3)c2c1C 9390272 WYUQWGQWQMYLLP-UHFFFAOYSA-N 392.527 3.687 0 40 GHAB CC(C)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 8236184 RAUQUFJZWFLVPY-QHCPKHFHSA-N 391.471 3.532 0 40 GHAB Cc1cc(-c2csc(CC(=O)N3CCOCC3)n2)c(C)n1Cc1ccccc1 8297867 FVHIWVIDGNKHCX-UHFFFAOYSA-N 395.528 3.678 0 40 GHAB CCCNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 409123646 DBJUBVMWLYQFDY-UHFFFAOYSA-N 394.924 3.678 0 40 GHAB O=C(Nc1ccc(CN(C(=O)[C@@H]2CCCO2)c2ccccc2)cc1)[C@@H]1CCCO1 72307977 STIQUBIHPMACSE-SFTDATJTSA-N 394.471 3.516 0 40 GHAB CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)CCc2cc(C)cc(C)c2)C1 95998662 USGVHCYLGFDKQO-SFHVURJKSA-N 397.523 3.507 0 40 GHAB CCOC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)Cn1cc(C)cn1 89960806 RRFJLRMEBVSTDO-QGZVFWFLSA-N 398.290 3.651 0 40 GHAB CN(C)CCn1ncc2c1-c1ccccc1OC21CCN(Cc2ccco2)CC1 306137328 QTCVIASTJSNHKT-UHFFFAOYSA-N 392.503 3.588 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(F)cc4)cc3)C(=O)[C@@H]2C1 408684563 PCDTYPFMCOIRHF-RBUKOAKNSA-N 378.403 3.924 0 40 GHAB O=C(C[C@H]1Cn2c(nc3ccccc32)NC1=O)Nc1ccc(Cl)c(Cl)c1 1548338189 CJHILQSXFAQVNB-JTQLQIEISA-N 389.242 3.940 0 40 GHAB COc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(C)cc3)C1=O)OCO2 409059215 VLUAXBLMOWPSNZ-LSCVHKIXSA-N 383.425 3.969 0 40 GHAB CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N)ccc1C(=O)OC 65740023 PVUHDPKXECGXCZ-FQEVSTJZSA-N 398.503 3.900 0 40 GHAB in-vitro Cc1cccc(-n2nc(-c3nc(-c4ccccn4)no3)c3ccccc3c2=O)c1 38652074 XFQLWNIJSXLKQA-UHFFFAOYSA-N 381.395 3.806 0 40 GHAB CN(Cc1cc(-c2ccccc2)on1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 503210515 XWROCJKVFKOEGF-KRWDZBQOSA-N 388.876 3.955 0 40 GHAB Cc1cccc(Oc2nccnc2C2CCN(C(=O)c3cnn(C)c3C)CC2)c1 72362621 AFRDCSBQBJVWIP-UHFFFAOYSA-N 391.475 3.639 0 40 GHAB O=C1C[C@H](c2ccccc2O)Cc2c1cnc1nc(Nc3ccccc3)[nH]c(=O)c21 36589816 MQXLITXRGRSDRN-CYBMUJFWSA-N 398.422 3.680 0 40 GHAB O=C(O)c1cc(Br)c(OCC(F)(F)F)c(Br)c1 236438669 CASPNMJFMQGYEY-UHFFFAOYSA-N 377.938 3.851 0 40 GHAB CCOC[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 218512847 VUMLLWYHCNZSSR-SLFFLAALSA-N 393.936 3.570 0 40 GHAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NCCOC)c2c1 35314389 AVWVXJSWOAEMPN-UHFFFAOYSA-N 399.491 3.853 0 40 GHAB COc1ccccc1-c1ccccc1C[C@@H]1C(=O)N(C)CCN1C(=O)CC(C)C 72351478 VEEUFAAJNNTVTH-OAQYLSRUSA-N 394.515 3.620 0 40 GHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 30187877 CZKGZQYDHVIBAE-UHFFFAOYSA-N 375.812 3.765 0 40 GHAB CC1CCC(NC(=O)[C@H](C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 40105944 AMDHHLLCUDSVJK-LXVYMNJGSA-N 392.348 3.992 0 40 GHAB COc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 222565503 KUNBWNWUJMRNPU-DLBZAZTESA-N 383.488 3.925 0 40 GHAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cccc1N(C)S(C)(=O)=O 222427437 UWNQVPBIZNGXQT-UHFFFAOYSA-N 386.395 3.662 0 40 GHAB CC(C)Sc1nnc(NC(=O)CN2C(=O)c3cccc4cccc2c34)s1 222720722 LFWSANLOKDPHID-UHFFFAOYSA-N 384.486 3.791 0 40 GHAB CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(OC)cc1 224866639 OSKOCMWXAMEJJU-UHFFFAOYSA-N 388.258 3.812 0 40 GHAB O=C(Cc1cccc(Br)c1)NCc1ccc(CN2CCCC2)cc1 224520392 MWXLAWMOFBCOKF-UHFFFAOYSA-N 387.321 3.904 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 222487095 GAOUOCXSJKHSKH-SFHVURJKSA-N 396.531 3.835 0 40 GHAB CC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cccc(C)c1)S(C)(=O)=O 220506034 OIGPQNFCQYHBTM-QGZVFWFLSA-N 398.887 3.971 0 40 GHAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2o1 223326192 FLRPIWFJTPZEOR-UHFFFAOYSA-N 393.635 3.882 0 40 GHAB O=C(NCC1(c2ccccc2)CCOCC1)c1cc(Br)cs1 96120221 IJNFHBXHCDKCPW-UHFFFAOYSA-N 380.307 3.989 0 40 GHAB O=C(NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1)C1CCCC1 257308936 TYUKKRXXAQVIIO-JOCQHMNTSA-N 395.429 3.723 0 40 GHAB CCc1noc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1 257252463 JUVLDLRKEHRXRQ-SHTZXODSSA-N 395.463 3.694 0 40 GHAB CN(C)c1nc([C@H]2CCCN2C(=O)c2cnc3ccccc3c2)cn2cccc12 257333687 YCPYWHWYOOCHBW-HXUWFJFHSA-N 385.471 3.926 0 40 GHAB Cc1cc(C)nc(Nc2ccc([C@H]3CN(Cc4ccccc4F)CCO3)nc2)n1 257342227 ZNQMDPLBHZGDHC-OAQYLSRUSA-N 393.466 3.945 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@H](C)N(c1ccc(OCC)cc1)S(C)(=O)=O 260796110 UVZNIBDJOZVIES-IRXDYDNUSA-N 398.569 3.572 0 40 GHAB COc1ccc(CNC(=O)N2CCC([C@H]3CCCCO3)CC2)cc1OC(F)F 660335727 JBWNZPWAGYUIFY-MRXNPFEDSA-N 398.450 3.787 0 40 GHAB O=C(NCC(O)(c1cccs1)c1cccs1)c1ccc(C(F)(F)F)nc1 390826805 BZJUOIGINNMEQO-UHFFFAOYSA-N 398.431 3.889 0 40 GHAB CC(=O)Nc1cc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)ccc1F 54098694 FZVWWQKPUWOAMI-OKILXGFUSA-N 385.439 3.650 0 40 GHAB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 5661816 LAIADDWHGKMOJO-KPKJPENVSA-N 387.779 3.811 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CC4)C3)cc2n1 12220354 CMCRBIPGHKGZHA-CYBMUJFWSA-N 380.414 3.988 0 40 GHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)NCc1cccc(Cl)c1 12415324 MALOGNXHSBVISB-UHFFFAOYSA-N 395.889 3.820 0 40 GHAB CCOc1cc2c(cc1CNC(=O)c1cccc(OC(F)F)c1)O[C@H](C)C2 12747586 IHWQSIMNMDHOIE-GFCCVEGCSA-N 377.387 3.940 0 40 GHAB COCCCNC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCCC2 12788647 LZCROAXPRFCFHN-UHFFFAOYSA-N 390.480 3.785 0 40 GHAB CCOc1c(Cl)cc(/C=C/C(=O)NCCOc2ccccc2)cc1OC 12971527 YUUFDHMRBCCDCB-MDZDMXLPSA-N 375.852 3.956 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 13040693 DUIWXZQGRCHBMF-ZDUSSCGKSA-N 388.851 3.657 0 40 GHAB c1csc(-c2cnc(N3CCC4(CC3)OCCO4)nc2-c2nccs2)c1 13567016 PDEFEALSYMDOMM-UHFFFAOYSA-N 386.502 3.672 0 40 GHAB CC[C@H](C(=O)NCc1ccccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O 13713608 LIQWYWFVBRXOFS-GOSISDBHSA-N 394.924 3.509 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716495 RSOLXVPYSKWVAI-SFHVURJKSA-N 396.459 3.765 0 40 GHAB COC(=O)c1c(NC(=O)CCc2nc(-c3ccsc3)no2)sc(C)c1C 15604872 XPZKZMJNBHBZQA-UHFFFAOYSA-N 391.474 3.834 0 40 GHAB COc1cccc(CN2CCC([C@@H](NC(=O)C3CCC3)c3ccccn3)CC2)c1 19564821 SNNFGCXWAXBRQP-HSZRJFAPSA-N 393.531 3.960 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(CCc2ccccc2)C1 19591659 PKAWLHNPLMORFL-SANMLTNESA-N 399.538 3.972 0 40 GHAB CCOc1ccc([C@H]2CCCN2C(=O)c2cc(C)nc3c2c(C)nn3C)cc1 19716318 KPGYNTNGNGZBIG-LJQANCHMSA-N 378.476 3.961 0 40 GHAB COC(=O)c1c(C)nc2ccn(-c3nccs3)c(=O)c2c1-c1ccc(C)cc1 19973860 RHVXSGHMFPXDAL-UHFFFAOYSA-N 391.452 3.913 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cc(C)no3)cc2N1 12181342 RKJVSLPTRAHBGU-UXIGCNINSA-N 397.401 3.854 0 40 GHAB Cc1nonc1COc1ccccc1C(=O)Nc1ccc2c(c1)N(C)CCC2 19714274 TXDZWKCROLVMFI-UHFFFAOYSA-N 378.432 3.592 0 40 GHAB Cc1sc2nc(S[C@H](C)C(=O)N3CCCC3)n(CC(C)C)c(=O)c2c1C 6141285 CIKLLGUKMQNESP-CQSZACIVSA-N 393.578 3.834 0 40 GHAB CN(CC1CCN(c2ncnc3ccsc23)CC1)c1ncnc(C2CC2)c1F 1888913584 QHFDVGOYHDJYBC-UHFFFAOYSA-N 398.511 3.851 0 40 GHAB O=S(=O)(Nc1ccccc1-c1nc(C2CC2)n[nH]1)c1ccc(F)c(F)c1F 26541361 RAXRGZMSCJFIRJ-UHFFFAOYSA-N 394.378 3.567 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)C[C@H](NC(N)=O)c1cccs1 26686214 VYGRRWUXKWBJLB-AWEZNQCLSA-N 375.494 3.792 0 40 GHAB CCOc1c(Br)cc(CNc2cnn(C)c2)cc1Br 37259818 NJPDPCKXUSZMPB-UHFFFAOYSA-N 389.091 3.956 0 40 GHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)CCc3ccc(F)cc3)C2)cc1C 2037913196 YPWSTQCQFPVUNM-QHCPKHFHSA-N 385.479 3.808 0 40 GHAB CCc1nccn1CC(=O)N1CCC[C@@]12CN(c1ccc(F)cc1)C(C)(C)C2 2037978076 WSPFQJBKXKEFQU-JOCHJYFZSA-N 384.499 3.635 0 40 GHAB O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 8961194 IKFXHHZVISOXHF-UHFFFAOYSA-N 384.388 3.985 0 40 GHAB COc1ccc(C)c2sc(N(CCCN(C)C)C(=O)c3cc(C)no3)nc12 13595827 FCSBILRDFJAQAK-UHFFFAOYSA-N 388.493 3.508 0 40 GHAB CC(C)Oc1ccc(C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1 17113553 RXGZOGPNNNPEBL-JOCHJYFZSA-N 382.504 3.667 0 40 GHAB O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2)C1CCCCC1 17191319 VWJIUUQLHHOPAQ-UHFFFAOYSA-N 398.528 3.952 0 40 GHAB CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(N(C)C)cc1)n2CCOC 100873240 LVGQTGLUHPFKSM-DQRAZIAOSA-N 399.516 3.555 0 40 GHAB O=C(O)c1cccc(-n2c(/C=C/c3ccc(O)cc3)nc3ccccc3c2=O)c1 4027707 WPANXUCZTVBFGX-JLHYYAGUSA-N 384.391 3.960 0 40 GHAB biogenic COc1ccc(C(C)(C)C)cc1N[C@@H](C)C(=O)Nc1sccc1C(N)=O 40001137 WTEOKFQEAVRJRX-NSHDSACASA-N 375.494 3.592 0 40 GHAB Cc1cc(C)c(OCC(=O)NCc2ccc(F)c(Cn3ccnc3)c2)c(C)c1 40122586 JMVLUXWWENPPLY-UHFFFAOYSA-N 381.451 3.691 0 40 GHAB CC(C)CS(=O)(=O)CCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 40117678 MBJUOPNRMKOMTA-UHFFFAOYSA-N 386.945 3.730 0 40 GHAB CCCNC(=O)[C@@H]1CN(C(=O)Cc2coc3cc(C)ccc23)c2ccccc2O1 32678554 GUPUFLHGAMDLNV-NRFANRHFSA-N 392.455 3.604 0 40 GHAB CCn1c(=S)n(CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c2ccccc21 29543413 AEMUAGFJMUOTGT-QGZVFWFLSA-N 399.516 3.716 0 40 GHAB Cc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 796828 RWBGNWYUNIHBIV-OAHLLOKOSA-N 392.908 3.688 0 40 GHAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 32869144 SAWRJBRHJKMKOP-CYBMUJFWSA-N 377.466 3.659 0 40 GHAB Cc1cccc(-n2c(SCC(=O)OC(C)C)nnc2-c2cccnc2)c1C 1328586 KCVGFHFPSCACEU-UHFFFAOYSA-N 382.489 3.990 0 40 GHAB COc1cccc2cc(C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)c(=O)oc12 2707928 GBXYALANTOLAAT-NSHDSACASA-N 386.787 3.883 0 40 GHAB biogenic O=C(CS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1F 32929841 GIHMWVFUMMRYIL-UHFFFAOYSA-N 393.333 3.537 0 40 GHAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 4710818 PPQPCCROZWCNPK-UHFFFAOYSA-N 389.455 3.816 0 40 GHAB Cc1cccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)c1 6766719 MAOCKMFODDPOJY-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O)N1CCCCCC1 6882041 HWEFECYKZCMBKI-GDNBJRDFSA-N 396.871 3.918 0 40 GHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)CC1=O 7928227 FEFDXHQNSFTGGG-GOSISDBHSA-N 393.487 3.761 0 40 GHAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cccc(C)n1 684354 VHUWJIZJWUCHOR-IBGZPJMESA-N 393.472 3.798 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C 8558433 XZFDKWNBEJUBKJ-CQSZACIVSA-N 387.432 3.513 0 40 GHAB CCc1ccc(OC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 8587453 NCYRZPPXLLWZDM-UHFFFAOYSA-N 384.413 3.725 0 40 GHAB O=C(COCc1cc(-c2ccco2)on1)Nc1ccc(OC(F)(F)F)cc1 8619038 IVLCMWZZCQOVAC-UHFFFAOYSA-N 382.294 3.989 0 40 GHAB Cc1nccc(-c2cccc(NC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)c2)n1 41831911 RBHTXXVSPPDNEW-FQEVSTJZSA-N 376.391 3.723 0 40 GHAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 100750239 JHPBQUQFLRXRBS-LLGFUMIMSA-N 397.567 3.941 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccccc1N1CCCC1 22646074 IQDBBKOAJWPRQX-UHFFFAOYSA-N 388.471 3.911 0 40 GHAB O=c1[nH]c(-c2ccc(CN(Cc3cncs3)C3CC3)cc2)nc2c1CCC2 23581192 MUMOYIRHVPZKSX-UHFFFAOYSA-N 378.501 3.547 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccccc1O 1320561 KEYHPPMCKMTUIF-QHCPKHFHSA-N 391.398 3.539 0 40 GHAB Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3N3CCCC3)CC2=O)c1C 12527095 FCELZGMRJQAGOT-GOSISDBHSA-N 377.488 3.895 0 40 GHAB CC(C)(CNC(=O)c1ccc(C(F)(F)F)nc1)N1CCc2ccccc2C1 25464467 VZBBYFFASPUJMB-UHFFFAOYSA-N 377.410 3.667 0 40 GHAB COc1ccc([C@H](CNC(=O)c2sc(-c3ccccn3)nc2C)N(C)C)cc1 25715707 NHBLMEHTWDDIGP-SFHVURJKSA-N 396.516 3.555 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)Nc3nc(-c4cccnc4)cs3)cc2NC1=O 12562856 KYMSOCSJNKCCRL-JTQLQIEISA-N 382.470 3.890 0 40 GHAB Cc1csc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@@H]3C2(C)C)n1 100265492 KKCFDHCVDVUNCB-BTDLBPIBSA-N 375.523 3.542 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 21875742 RQNLGMMTJQBNAU-KSSFIOAISA-N 392.546 3.535 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)ccc12 57985590 IIFUHCIHOODKJD-SFHVURJKSA-N 393.443 3.710 0 40 GHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2nnc3n2CCC3)CC1 58190958 UNMRJCDYJYEFJA-UHFFFAOYSA-N 379.386 3.655 0 40 GHAB CCOc1c(Br)cc([C@H]2NC(=O)c3ccccc3N2)cc1OC 12609106 ZPTFBPPWHBLQQZ-MRXNPFEDSA-N 377.238 3.711 0 40 GHAB COc1cc(-c2nn3c(-c4ccccc4C)nnc3s2)cc(OC)c1OC 2195389 MKZYDEYKYVMDIH-UHFFFAOYSA-N 382.445 3.854 0 40 GHAB COc1ccccc1-c1ccc(=O)n(Cc2ccc(OC(F)(F)F)cc2)n1 44917389 HOMRAHPMZBKRCT-UHFFFAOYSA-N 376.334 3.866 0 40 GHAB Cc1ccccc1NCCC(=O)Nc1ccc(N2CCN(C3CC3)CC2)cc1 58306520 MBNZBAQNCZHZBH-UHFFFAOYSA-N 378.520 3.720 0 40 GHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Oc1ccc2c(c1)OCO2 10508915 CQYWKWAXFWDPCQ-UHFFFAOYSA-N 389.411 3.766 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cccc(C(F)(F)F)c1 3351457 WLSHDNARCGHQAC-CQSZACIVSA-N 379.378 4.000 0 40 GHAB CCCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)cc1OC 3356201 OFNODLWJMQDREX-SFHVURJKSA-N 386.492 3.525 0 40 GHAB O=C(OCC(=O)c1ccc(Br)s1)c1cc(=O)c2ccccc2o1 3373719 XSOIUQCJMHQKSK-UHFFFAOYSA-N 393.214 3.657 0 40 GHAB CSc1ncc(Cl)c(C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)n1 11574320 QKNDKTQWJAZKHT-SECBINFHSA-N 375.837 3.761 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCc2sccc2[C@@H]1C 12789438 KIMPLUBYDXOQCJ-HNNXBMFYSA-N 388.533 3.733 0 40 GHAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(I)c1 11725586 HUNZTLCBEGUTPR-UHFFFAOYSA-N 395.196 3.705 0 40 GHAB O=C(COc1ccccc1C(F)(F)F)Nc1ccccc1N1CCCC1=O 11722740 KESRUFZDLPFFQI-UHFFFAOYSA-N 378.350 3.850 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)CCC(=O)c2ccc(F)cc2F)c1 48387190 XFUQMEHKLRHHCX-LBPRGKRZSA-N 377.387 3.822 0 40 GHAB Cc1cc(S(=O)(=O)N(Cc2ccncc2)C2CC2)ccc1Br 48332412 OTQRCICHGQDJSL-UHFFFAOYSA-N 381.295 3.506 0 40 GHAB Cc1cc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)ccc1Br 12812424 HSNVCAFCOAOSFE-ZDUSSCGKSA-N 377.213 3.961 0 40 GHAB CN(CC(=O)NCCCc1ccccc1)Cc1ccc(Br)cc1 3533711 LPCQAMDBUSSJCA-UHFFFAOYSA-N 375.310 3.630 0 40 GHAB CCCn1nc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c2ccccc2c1=O 12973590 ZXXQEVRNDVMUQX-QGZVFWFLSA-N 397.475 3.913 0 40 GHAB O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1ccco1 12909308 GYYHKEMAQXMTQM-UHFFFAOYSA-N 392.820 3.692 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)CCNC(=O)c1ccc(Br)cc1 13019746 LBRUXVXLLUGCFJ-ZDUSSCGKSA-N 387.277 3.547 0 40 GHAB Cc1ccc(S(=O)(=O)N2CN(CC(C)C)c3nc4ccccc4nc32)cc1C 5030217 QOFLSJXWXJJPHF-UHFFFAOYSA-N 396.516 3.875 0 40 GHAB O=C(C[C@H]1C(O)=Nc2nc(SCc3ccccc3)nn21)Nc1ccccc1 13735884 HPOODQGRBZPAOE-HNNXBMFYSA-N 379.445 3.742 0 40 GHAB Cc1ccc([C@H](CC(=O)NCCc2ccc(Cl)cc2Cl)NC(N)=O)cc1 14138951 YUYJTRDQVPVIBC-KRWDZBQOSA-N 394.302 3.760 0 40 GHAB CC(=O)NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1 4551144 LDGYAYVGSVBVAO-UZYVYHOESA-N 385.217 3.704 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCc1ccc(C)cc1 409250920 OUXDTWHJBUGKOV-LDADJPATSA-N 380.444 3.885 0 40 GHAB COc1ccc(F)cc1C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 14247990 DROYYZYSKVDOQY-UHFFFAOYSA-N 397.372 3.601 0 40 GHAB COc1ccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1OC 14282763 NLVPVPZANNFLLA-UHFFFAOYSA-N 385.851 3.720 0 40 GHAB C[C@H](NCCCOc1cccc(Cl)c1)c1cccc(NS(C)(=O)=O)c1 96012815 WUCZBEULYQMSPL-AWEZNQCLSA-N 382.913 3.831 0 40 GHAB COC(=O)c1cc(NCc2ccccc2C(F)(F)F)ccc1N1CCOCC1 4705456 VSXHBTIRKFPTQM-UHFFFAOYSA-N 394.393 3.941 0 40 GHAB CC(C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(Br)cc1 5690182 AOECKCWGYHRVJH-ZDUSSCGKSA-N 382.283 3.707 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CC=CCC1 14864636 GVYSAJHTPWAHNC-INIZCTEOSA-N 392.521 3.555 0 40 GHAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(N2CCCC2=O)c(Cl)c1 14900860 VUOYKXBIXWDQIK-UHFFFAOYSA-N 394.862 3.834 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 6811769 JKTIARLOIYUJHL-DLBZAZTESA-N 399.907 3.892 0 40 GHAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCOc2ccccc21 19352320 MBVNKYDYZFHZRB-HNNXBMFYSA-N 380.227 3.790 0 40 GHAB CCOc1cc(CNCCCCN2C[C@H](C)O[C@H](C)C2)cc(Cl)c1OC 67453074 HYUGKXWPCQCSBS-IYBDPMFKSA-N 384.948 3.726 0 40 GHAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nnc(N)s2)cs1 7534305 OWDWQTLXZDFURU-UHFFFAOYSA-N 377.520 3.862 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(CN3CCCC3)cc2)nnc1C1CC1 7533976 OPVOLBKLAYFUCC-UHFFFAOYSA-N 385.537 3.502 0 40 GHAB CCc1cc(C(N)=O)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)s1 27929361 QBWASYUGFIVGBH-UHFFFAOYSA-N 379.290 3.517 0 40 GHAB Cc1ccc(OCCC(=O)O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 8008484 TZKHHRIDLSXGPU-ZDUSSCGKSA-N 386.473 3.983 0 40 GHAB CCCN(CC1CC1)C(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1 8184682 RUTFGAOINKDFKL-UHFFFAOYSA-N 396.487 3.975 0 40 GHAB CCc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C3=CCCCC3)n2)cc1 9366521 SYDAFEHYCLVDAT-UHFFFAOYSA-N 391.475 3.982 0 40 GHAB COc1ccccc1[C@@H](CNc1ncnc2c1cnn2-c1ccccc1)N(C)C 9513531 VBYZOICUEQVDQV-LJQANCHMSA-N 388.475 3.539 0 40 GHAB Cc1ccccc1-c1nc(CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)no1 97163905 LDPDEJBITQSQNZ-ZHACJKMWSA-N 389.864 3.789 0 40 GHAB COC(=O)Nc1cccc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)c1 72313589 AYRJCXLMOMJKGR-INIZCTEOSA-N 382.464 3.603 0 40 GHAB CN(C)C(=O)COc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1 25993101 XSGNWLXXXVRIQK-UHFFFAOYSA-N 389.455 3.832 0 40 GHAB COc1ccc2c(c1)OC[C@H](C(=O)Oc1ccc([C@@](C)(O)C(F)(F)F)cc1)C2 84651572 XJMHGCWIAGLCCQ-BFUOFWGJSA-N 396.361 3.622 0 40 GHAB O[C@@]1(c2nc(Cc3cccs3)no2)CCc2cc(Br)ccc2C1 1548451659 ZRNOPTZFYKTDAU-KRWDZBQOSA-N 391.290 3.861 0 40 GHAB COc1ccc(C)cc1NC(=O)CSCc1cc(=O)c2cc(F)ccc2[nH]1 33064211 MYNNSQSYXMFHQG-UHFFFAOYSA-N 386.448 3.856 0 40 GHAB O=C(NC(=S)NNc1ccccc1)c1ccc(OCc2ccccc2)cc1 408627631 MTOOGHOZQTYYHA-UHFFFAOYSA-N 377.469 3.897 0 40 GHAB CCOC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)o2)cc1 39751224 LRGNLFKXHDMORT-UHFFFAOYSA-N 382.376 3.566 0 40 GHAB COc1ccc(Oc2cncc(C3CCN(C(=O)c4ccncc4)CC3)n2)cc1 72362131 HOBCTABOJMMDJL-UHFFFAOYSA-N 390.443 3.692 0 40 GHAB CSc1ccccc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 225723406 WXXISPBHVJADLF-UHFFFAOYSA-N 396.438 3.616 0 40 GHAB Cc1nc(CNC(=O)N[C@@H]2CCCN(C)c3ccccc32)nc2ccccc12 567195312 NHWGZMVZCOAVMC-LJQANCHMSA-N 375.476 3.709 0 40 GHAB COCCN(Cc1cccn1C)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222557937 CFBIJHXSZXAOOC-UHFFFAOYSA-N 388.899 3.898 0 40 GHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 223262244 JNMCWNVWAMEORQ-UXHICEINSA-N 383.565 3.532 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(-c2cn3c(n2)SCC3)c1 48984976 HAMGGEPASSJAOO-ORAYPTAESA-N 393.468 3.823 0 40 GHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1OCC 225599624 XLEAQHCCASZXAA-CQSZACIVSA-N 381.469 3.971 0 40 GHAB CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224067473 XSOVWXATKUZFDQ-UHFFFAOYSA-N 387.288 3.934 0 40 GHAB COc1ccc(CCCNC(=S)Nc2ccc(OC)c(OC)c2)cc1OC 225627033 SRMCHAQSOLJRCJ-UHFFFAOYSA-N 390.505 3.640 0 40 GHAB C[C@H](CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCOCC1 80345461 KXVBAOMBFHYGPN-GFCCVEGCSA-N 383.275 3.704 0 40 GHAB CCc1c(NC(=O)NCC23CC(CO2)C3)cnn1-c1cccc(C(F)(F)F)c1 529080960 GFXNXSWCBQTWKW-UHFFFAOYSA-N 394.397 3.754 0 40 GHAB CCOc1ccccc1CCCNS(=O)(=O)c1cc(Cl)ccc1OC 224961337 CZXDHKLSNKJTRI-UHFFFAOYSA-N 383.897 3.658 0 40 GHAB CCCC[C@H](C)C[C@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C\C(=O)O 96481897 OJZYRQPMEIEQFC-RFSOYQBESA-N 380.525 3.887 0 40 GHAB Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](CC(=O)N(C)C)c2ccccc23)n1 96052726 NNAOABKPOQRWAY-GOSISDBHSA-N 391.515 3.530 0 40 GHAB COc1ccc(-c2cc(C)nc(SCC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1 250969207 SUYCHZBVFFOLCS-URLQWDBASA-N 383.517 3.858 0 40 GHAB O=C(c1cccc(O)n1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257288213 PTJKJFDMWXULSF-HNNXBMFYSA-N 381.407 3.525 0 40 GHAB CCc1ccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCN(C(=O)COC)C[C@H]32)cc1 257328596 XGIXQKYSBWMXGI-HJOGWXRNSA-N 392.543 3.712 0 40 GHAB COc1cc(OC)cc(C(=O)NCc2ccc([C@H](O)c3cccs3)s2)c1 90613583 WNLNREZPPHONBX-GOSISDBHSA-N 389.498 3.839 0 40 GHAB CN(C)c1ncccc1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 60558865 WGEQHJDFPLZKBZ-UHFFFAOYSA-N 386.253 3.553 0 40 GHAB CCOc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OCC 5466657 OYELXQOPWRAXOG-FXAWDEMLSA-N 380.444 3.654 0 40 GHAB CC(C)(C)C1=NN(CC(=O)NC2CCCC2)C(=O)c2cc3ccccc3n2C1 12088721 XOWPEVVKTICYJU-UHFFFAOYSA-N 380.492 3.558 0 40 GHAB Cc1ccc(C(=O)CCC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1C 12327279 WKTCBAXUHKIQAP-UHFFFAOYSA-N 394.500 3.861 0 40 GHAB COc1ccc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cc(OC)cc(OC)c2)C3)cc1 12361629 RUMSCJGFQBWRAG-VXMMSVGHSA-N 397.515 3.832 0 40 GHAB O=C(Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1)C1CCCCC1 13368346 UTIKZUSMOSXAPR-UHFFFAOYSA-N 383.473 3.854 0 40 GHAB CC(=O)O[C@]1(C(C)=O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C(=O)C[C@H]2C1 13408708 OTUOJBDLVLSQSL-OGAFSOQESA-N 388.504 3.668 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)NCCOc3ccccc3)s2)cc1OC 14248233 WZZGFHLMTMDFJN-UHFFFAOYSA-N 398.484 3.945 0 40 GHAB O=C1O[C@H](c2c(O)[nH]c(=S)n(-c3ccc(Cl)cc3)c2=O)c2ccccc21 16524555 LLXRRTYZJGQISN-AWEZNQCLSA-N 386.816 3.514 0 40 GHAB COc1ccc(C2c3c(cc(C)oc3=O)Oc3cc(C)oc(=O)c32)cc1OC 16756470 PZYDKPIGJFURRF-UHFFFAOYSA-N 382.368 3.513 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)c1 19078586 IZEOZLKQJYVFHR-KDOFPFPSSA-N 399.443 3.564 0 40 GHAB Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2cccc(Cl)c2C)CC1 19221568 LCBHVRZIJFXNDP-UHFFFAOYSA-N 397.910 3.977 0 40 GHAB CCN1C[C@@H](C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)CC1=O 19526999 KUOZQEFXMCMJOA-LBPRGKRZSA-N 397.422 3.560 0 40 GHAB CCn1cc(CN2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)c(C)n1 19692510 HZVNULQSXIHRCJ-JOCHJYFZSA-N 380.467 3.986 0 40 GHAB Cc1cc(C)cc(OCC(=O)N2N=C3CC[C@H](C)C[C@@H]3[C@@]2(O)C(F)(F)F)c1 169704038 CGHKVGYQAFNXNA-GEWABHDNSA-N 384.398 3.568 0 40 GHAB COc1ccc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C(C)=O)cc1 19017752 QGKUPZLCAYAKBC-DNVJHFABSA-N 382.479 3.813 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)c1ccccc1NC(=O)c1ccco1 7047584 ZTFVWPVPTSDBKB-UHFFFAOYSA-N 388.427 3.620 0 40 GHAB O=C(NCc1ccccc1)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889191578 YYGMMMPIPPGLHK-NVXWUHKLSA-N 390.409 3.521 0 40 GHAB O=C(NCC(F)(F)F)c1ccc(CN(C(=O)Cc2cccs2)C2CC2)cc1 29075613 XZAQUHLIAPICNH-UHFFFAOYSA-N 396.434 3.774 0 40 GHAB Cc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)cc1C 4329732 DMMHRBDFXJPJNN-UHFFFAOYSA-N 394.454 3.951 0 40 GHAB CCCN1CCCc2cc(CCNC(=O)c3cc4ccccc4oc3=O)ccc21 11612968 CZIOVMJFDNGNSZ-UHFFFAOYSA-N 390.483 3.928 0 40 GHAB Cc1cc(O)c([C@@H](c2cccnc2)N2CCC(C)CC2)c(=O)n1Cc1ccco1 22698313 HNXNZIJBECSYRE-JOCHJYFZSA-N 393.487 3.720 0 40 GHAB CCOc1ccc(NC(=O)CSc2cc(C)nc(-c3cccnc3)n2)cc1 49007064 XPWJDPVARBMUDW-UHFFFAOYSA-N 380.473 3.977 0 40 GHAB Cn1cc([C@H]2CN(C(=O)c3cc(-c4ccccc4)[nH]n3)Cc3ccccc32)cn1 575620915 WOXIDUWIQCOFNZ-HXUWFJFHSA-N 383.455 3.598 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)Cc1csc2ccccc12 575620583 LAXASJYMAZZLQO-NSHDSACASA-N 395.527 3.659 0 40 GHAB COC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 40150876 SFVWIYSBLFPFCN-UHFFFAOYSA-N 375.490 3.661 0 40 GHAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSc3nc4ccccc4s3)n21 40114163 VALGEZZYMKMUSA-UHFFFAOYSA-N 393.497 3.792 0 40 GHAB Cc1sc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)nc1-c1ccc(F)cc1 40129581 FTNDJPIKTSRPNF-CQSZACIVSA-N 390.484 3.590 0 40 GHAB COc1cc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ncccn2)ccc1OC(C)C 20731347 JXVGYCOCUGOVHS-HNNXBMFYSA-N 393.447 3.890 0 40 GHAB C[C@@H](OC(=O)c1ccc(I)cc1)c1ncc(Cl)n1C 32818891 DQOAPYUNUGTWKD-MRVPVSSYSA-N 390.608 3.596 0 40 GHAB CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccco1 779330 UZMQIXFJAIDAGV-UHFFFAOYSA-N 385.474 3.899 0 40 GHAB CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 791902 DVGBWSRGHOZYJX-GOSISDBHSA-N 386.517 3.597 0 40 GHAB Cc1ccc2nc3c(c(C(=O)O[C@@H](C)C(=O)Nc4cc(C)on4)c2c1)CCCC3 21604664 LIWDQPCOCVPPRK-AWEZNQCLSA-N 393.443 3.902 0 40 GHAB CC1(C2CCN(c3cc(C(F)(F)F)nc(-c4cccnc4)n3)CC2)OCCO1 79076495 ZMGDBYIRSWYKKI-UHFFFAOYSA-N 394.397 3.537 0 40 GHAB COc1ccc2c(CSc3nnc4[nH]c5ccccc5n34)cc(=O)oc2c1 6294890 JSUAOJCZDJEEJC-UHFFFAOYSA-N 378.413 3.618 0 40 GHAB O=C(COc1ccc(Cl)cc1Br)Nc1nnc(C2CC2)s1 6453156 GVXLZDGYOBNUHJ-UHFFFAOYSA-N 388.674 3.849 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)c(C)c1 6680469 NCMGKFSPZCDXPN-UHFFFAOYSA-N 378.519 3.792 0 40 GHAB CCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc2ccccc2c1 6891298 YCDPUHYXBZRULF-UHFFFAOYSA-N 382.485 3.798 0 40 GHAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccncc2)cc1 7499664 QFVBTEUQUGIFTJ-UHFFFAOYSA-N 399.450 3.899 0 40 GHAB CCOc1ccc(NC(=S)NCc2cc(OC)c(OC)c(OC)c2)cc1 7500733 RYBMOEOTKYKBNW-UHFFFAOYSA-N 376.478 3.598 0 40 GHAB Fc1ccc(COc2ccc(Br)cc2CNn2cnnc2)cc1 7602468 RBYAJVAQQNSZIE-UHFFFAOYSA-N 377.217 3.502 0 40 GHAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccc2c(c1)CCC2 7778194 ZAJLTCYAVYPLFY-UHFFFAOYSA-N 388.254 3.831 0 40 GHAB COc1ccc(NC(=O)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1 7988953 FQWQZPCWHLHZKK-AWEZNQCLSA-N 384.476 3.758 0 40 GHAB CCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(C)cc1 10326409 KXPOACPDSTXOKB-MRXNPFEDSA-N 386.517 3.665 0 40 GHAB Cc1ccc(-c2noc(CN3CCN(Cc4nc5ccccc5o4)CC3)n2)cc1 22842258 VAQQXAMEDVHZBF-UHFFFAOYSA-N 389.459 3.504 0 40 GHAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8232947 CJLKUVRGUNLQGO-GFCCVEGCSA-N 385.894 3.699 0 40 GHAB C[C@@H](NC(=O)CSc1ccc2ccccc2n1)c1ccc2c(c1)OCCO2 8447847 AVIGQRSKUFQQTE-CQSZACIVSA-N 380.469 3.976 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCN(CCc2ccccc2)CC1 22916148 PUHMHHASOHGPSP-GOSISDBHSA-N 385.939 3.836 0 40 GHAB O=C(Cc1cnc(-c2ccccc2F)s1)N1CCN(c2ccccc2F)CC1 12322952 LDIPKQOXOYGFDJ-UHFFFAOYSA-N 399.466 3.980 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccc(Br)cc2F)c(F)cc1F 24778622 VCQSWENOLBYYJW-UHFFFAOYSA-N 388.139 3.905 0 40 GHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2cnc(C)c2C)cc1 106440077 YRULVSZKPXWCAI-QFIPXVFZSA-N 388.471 3.886 0 40 GHAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(Br)c2)NC(=S)N1 23716368 YEWLJNHMYRSSTA-CQSZACIVSA-N 383.311 3.585 0 40 GHAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2c[nH]c3ccccc23)n2nnnc2N1 28250596 QRNMLTZQYQIAFW-HXUWFJFHSA-N 399.458 3.699 0 40 GHAB CC(C)Cn1c(SCC(=O)Nc2cccc(F)c2)nc2ccsc2c1=O 57426270 REAVHTBTFRRFAL-UHFFFAOYSA-N 391.493 3.984 0 40 GHAB CCC(=O)Nc1cccc(NCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1C 12523432 HCFNJKSGOIWPIO-UHFFFAOYSA-N 394.475 3.521 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N1CCCC1 3228745 AHVVQMCNRZCOAT-UHFFFAOYSA-N 399.903 3.754 0 40 GHAB Clc1ccc2cccnc2c1CSc1nnc(N2CCOCC2)s1 58168838 ZFNUVRCZKGSAIR-UHFFFAOYSA-N 378.910 3.869 0 40 GHAB CS(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CCC2)ccc1Cl 10221567 LARNCVFKJMMRMS-UHFFFAOYSA-N 377.893 3.595 0 40 GHAB COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(C)=O)CC1 100750308 RHICTNOIANVIMK-KGVIQGDOSA-N 395.503 3.504 0 40 GHAB O=C(Cn1c(C2CC2)nc2ccccc21)NC[C@H](c1ccco1)N1CCCCC1 58390649 HDIKGENTZNPRRQ-HXUWFJFHSA-N 392.503 3.850 0 40 GHAB CC(=O)Nc1ccc(C(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)s1 10810994 NCYYUIMPCCVEJG-JTQLQIEISA-N 392.431 3.985 0 40 GHAB CCOCCCn1c(Sc2ncnc3sccc23)nc2ccccc2c1=O 3360100 NXHLNELHRMSKBO-UHFFFAOYSA-N 398.513 3.979 0 40 GHAB COc1ccc(-c2nonc2NC(=O)c2cc(-c3ccccc3)on2)cc1OC 27794042 LLKXCWHDIFAPHB-UHFFFAOYSA-N 392.371 3.661 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCCc1nc2ccccc2[nH]1 11486222 TUJMRIMMIDZUKC-UHFFFAOYSA-N 387.487 3.787 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl 3325633 AYFYLYDZVVKGKU-SFHVURJKSA-N 392.908 3.830 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2c[nH]c3ccccc3c2=O)c1 46017688 CVFFJGUDGJYKNH-LJQANCHMSA-N 378.428 3.523 0 40 GHAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Br)o2)c1 48362697 OGJUMWOGJOZWBY-LLVKDONJSA-N 379.254 3.957 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc1OCC 3441837 SZVOEPPWMSWLBV-UHFFFAOYSA-N 379.359 3.558 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 3466286 TTZUEOKEPDECQS-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 9516910 GNIQYWLIHNOWCY-UHFFFAOYSA-N 393.896 3.981 0 40 GHAB Cc1cc(C)nc(SCC(=O)N(C)Cc2ccc(Br)cc2)n1 12979077 ZKXNUZDKKARPGU-UHFFFAOYSA-N 380.311 3.607 0 40 GHAB NC(=O)CCSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 8746774 LKJMARLIWZPYMF-UHFFFAOYSA-N 376.844 3.694 0 40 GHAB CCc1c(C)n(CC(=O)Nc2ccc(C)c(C)c2)c2nc3ccccc3n2c1=O 20798429 PUHAWCQQLLEKQZ-UHFFFAOYSA-N 388.471 3.776 0 40 GHAB Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1ccc(Cl)cc1N 19124387 QNLNUMPKTCZYNK-UHFFFAOYSA-N 387.867 3.626 0 40 GHAB O=C1C[C@@H](c2cc(Cl)ccc2F)c2c(O)nc3nc4ccccc4n3c2N1 13722343 FVIHBUWTWKIYCR-NSHDSACASA-N 382.782 3.855 0 40 GHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](C(N)=O)c1ccccc1 8982550 OZDBHRKKGYDICU-OAHLLOKOSA-N 385.876 3.728 0 40 GHAB COc1ccc(NC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)cc1 5399711 RMSOIAASNWHDKK-UHFFFAOYSA-N 385.423 3.711 0 40 GHAB COc1ccc(OCC(=O)Nc2nc(-c3ccc(OC)c(F)c3)cs2)cc1 6541093 SDZNUSWSAJZTCK-UHFFFAOYSA-N 388.420 3.984 0 40 GHAB COc1cc2c(cc1OC)-c1cc(SCc3ccccc3)nc(=O)n1CC2 66088664 KREQJLHDFGOUID-UHFFFAOYSA-N 380.469 3.776 0 40 GHAB COc1ccc2c(C)cc3nnc(S[C@H](C)C(=O)Nc4cc(C)on4)n3c2c1 14672197 AJTWYKHBZPJADH-GFCCVEGCSA-N 397.460 3.615 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1cccc(F)c1 9154121 VMWQYISSKFFVKC-SFHVURJKSA-N 375.806 3.800 0 40 GHAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(Cl)cc2)CC1=O 5786466 DPJLSKQNHUMTBX-INIZCTEOSA-N 385.847 3.681 0 40 GHAB COCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 4816650 WZFPEJNXTPFOQL-QZTJIDSGSA-N 382.851 3.645 0 40 GHAB Cc1nc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c2ccccc2n1 6879121 PNPZCUWWXWJZQP-ZDUSSCGKSA-N 392.484 3.794 0 40 GHAB CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCC(C)CC3)c(O)n2n1 22853366 DIKYKMXVNGGISZ-QGZVFWFLSA-N 386.521 3.889 0 40 GHAB CCOC(=O)Cc1csc(SCc2nc(-c3ccccc3OC)no2)n1 7219736 FKUUSAUEIWRUDY-UHFFFAOYSA-N 391.474 3.600 0 40 GHAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 8157131 YKNIIOPSPMYNCZ-HSZRJFAPSA-N 388.423 3.571 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)OCc2nc3ccccc3s2)C1 8356278 VFSFDUDQLYHQAR-ZDUSSCGKSA-N 376.478 3.987 0 40 GHAB CCn1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2CC)n1 28240958 KDJFQDPCJYZLAJ-UHFFFAOYSA-N 384.509 3.529 0 40 GHAB C[C@H](CNc1ccccc1)NC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 84640163 YDONTRJGHORUBI-QZTJIDSGSA-N 382.508 3.702 0 40 GHAB C[C@@H](CC(=O)OCC[C@H]1CCN(Cc2ccccc2)C1)NC(=O)C1CCCC1 95467971 YODSAMQVNOGPEJ-AZUAARDMSA-N 386.536 3.527 0 40 GHAB COCCOC(=O)Nc1cccc(NC(=O)NCCc2cccc(F)c2F)c1 95958716 WFQKKAARMUWVNR-UHFFFAOYSA-N 393.390 3.524 0 40 GHAB O=C(Nc1c[nH]nc1[C@H]1CCCN(c2ccnc(C3CC3)n2)C1)c1ccccc1 95999546 IXEMQKJPGMRASR-KRWDZBQOSA-N 388.475 3.713 0 40 GHAB C[C@H]1Sc2ccc(C(=O)N3CCc4[nH]c5ccccc5c4C3)cc2NC1=O 9900778 NMYCBVYFWOWETL-GFCCVEGCSA-N 377.469 3.799 0 40 GHAB COCCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 409233044 UGUWUYBQWWOQAK-LFIBNONCSA-N 387.413 3.718 0 40 GHAB Cc1ccc(N(CC(=O)O)S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 113880298 SNKKJSRZOLCDGC-UHFFFAOYSA-N 388.272 3.890 0 40 GHAB O=S1(=O)c2ccccc2[C@H](NCc2ccco2)CCN1Cc1ccccc1 306140533 UWPGPEZRQZESCZ-HXUWFJFHSA-N 382.485 3.705 0 40 GHAB COc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3ccco3)C(=O)O2)cc1 408841681 GPXMAABYIYBPLY-GHRIWEEISA-N 389.363 3.852 0 40 GHAB COc1c2c(cc3c1[C@H](Cc1ccc(NC(=O)C(C)C)cc1)N(C)CC3)OCO2 524729749 HZHSQKNPEMCXOI-SFHVURJKSA-N 396.487 3.790 0 40 GHAB biogenic CCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccncc3)o2)C[C@H]1C(C)C 35442798 TYHRGLORVVDQJY-FHWLQOOXSA-N 397.523 3.848 0 40 GHAB biogenic,in-vitro CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)N(C)c1ccccc1 71327880 SQAOVBMZFXNAIV-UHFFFAOYSA-N 389.499 3.887 0 40 GHAB O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCN(c2ccccc2)CC1 38835986 MTYADSZMVPSHNI-HXUWFJFHSA-N 397.950 3.901 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70640117 CAZAJIVJVACSGV-AWEZNQCLSA-N 393.814 3.679 0 40 GHAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc2nc(O)oc2c1 32686409 XLSREKOTQBDLTH-UHFFFAOYSA-N 376.434 3.640 0 40 GHAB CCN(CC)C(=O)CN1CCC(c2ccc(Nc3ncccc3C)cn2)CC1 72374169 FZRQRXPUKNABSS-UHFFFAOYSA-N 381.524 3.576 0 40 GHAB Cn1cc(NC(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)c(C2CC2)n1 562288217 SNLMINVJOBUAFF-OAHLLOKOSA-N 383.477 3.513 0 40 GHAB CCc1cccc(C)c1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222515156 HZEPQJUZJUJPBC-UHFFFAOYSA-N 380.897 3.859 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCc1ccccc1CN1CCCCC1 224828627 FDAMSPMOCXBHIR-UHFFFAOYSA-N 392.952 3.946 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC)c1ccccc1 225693657 BJXSYMYRMXJGKG-OAHLLOKOSA-N 376.503 3.513 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCC2 223059181 ADCIUODKGQCDRB-IBGZPJMESA-N 387.501 3.766 0 40 GHAB CN(Cn1c(=S)oc2ccc(S(=O)(=O)N(C)C)cc21)C1CCCCCC1 40024797 UZYBIPZQLYWRDX-UHFFFAOYSA-N 397.566 3.826 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1C1CCCC1 223573563 XCWVXUGOSVXWQB-WOJBJXKFSA-N 384.549 3.580 0 40 GHAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)NC1CCCCCC1 225726280 VPQMDMGVXZOXLS-UHFFFAOYSA-N 377.282 3.603 0 40 GHAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cccc(OC)c3)s2)cc1 225844998 LCGBFKQFFZEHHQ-GFCCVEGCSA-N 385.445 3.628 0 40 GHAB Cc1cc2c(cc1-c1ccnc(NCCN3CCOCC3)n1)NC(C)(C)C[C@@H]2C 575473304 XAVTUOSVWGMRBM-KRWDZBQOSA-N 395.551 3.894 0 40 GHAB C[C@@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)CCCC2 96997211 QPRRQTHGROIRIH-QGZVFWFLSA-N 392.499 3.948 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@]12CCN(C(=O)c1ccc(Cl)cc1)C2 96227756 HHAPLPXZPHHFLM-IERDGZPVSA-N 398.846 3.560 0 40 GHAB O=C(CCCn1cc(COc2ccccc2)nn1)NCCc1ccc(Cl)cc1 252490172 KKXNYIMEGHSWPY-UHFFFAOYSA-N 398.894 3.650 0 40 GHAB O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1cc(C(F)(F)F)ccc1F 1611278289 XBKWPYJZNWWSHV-UHFFFAOYSA-N 378.329 3.602 0 40 GHAB CC1(C)C[C@@]2(CCCN2C(=O)CCCn2cccn2)CN1c1cccc(F)c1 1615160187 XSGHGCXNFOYHOR-QFIPXVFZSA-N 384.499 3.853 0 40 GHAB CCOCc1cc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccccn2)ccc1OC 12135141 UESVCGQZUGZTDR-SVGJNIJCSA-N 396.531 3.746 0 40 GHAB CCCc1ncc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccc(OC)cc2)cn1 12238601 KYXYISPFKHVJPW-DETIRCLXSA-N 381.520 3.557 0 40 GHAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)Cc1ccccc1-2 15982731 QAKDEVQUYGZHTO-NHCUHLMSSA-N 388.467 3.762 0 40 GHAB CCn1cc([C@H](NC(=O)c2cnccn2)c2ccc(F)cc2)c2ccncc21 19524848 CZEZZGJTGCKINA-HXUWFJFHSA-N 375.407 3.505 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)c2sc(-c3cccnc3)nc2C)cc1 19561103 NFZUQYRTRULVMN-ZDUSSCGKSA-N 383.473 3.719 0 40 GHAB COc1cc(C(=O)Nc2ccc3ncn(C)c3c2)ccc1OCc1ccccn1 19714324 WMIRGKUMYZPQHH-UHFFFAOYSA-N 388.427 3.808 0 40 GHAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)N1CCCC1 779342 MGMKESKDKVVOAH-UHFFFAOYSA-N 384.530 3.769 0 40 GHAB COC(=O)c1cc(CN(C)C(=O)CCC(=O)c2cc(C)sc2C)oc1C 24282960 PUBJWPDXJBCUGV-UHFFFAOYSA-N 377.462 3.674 0 40 GHAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 30548693 QYPAOLCJOSZBJO-CYBMUJFWSA-N 392.546 3.584 0 40 GHAB CC(C)Oc1ccccc1CN1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037983738 DLILKSLYJYIPON-IRLDBZIGSA-N 394.515 3.728 0 40 GHAB Cc1c(Cl)cccc1C(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 1614936699 GZYZQIWTXVZZKZ-SFHVURJKSA-N 382.891 3.784 0 40 GHAB CC(C)(C)c1cn2nc(N3CCCN(c4nc5ccccc5o4)CC3)ccc2n1 2087066789 TZOUWKMGOZOHSQ-UHFFFAOYSA-N 390.491 3.885 0 40 GHAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1cccc(Cl)c1 4327678 REVIFMLAVABDRR-UHFFFAOYSA-N 396.863 3.571 0 40 GHAB COc1ccc(C)cc1-n1nnc(-c2nc(-c3ccc(Cl)cc3)no2)c1N 4313514 AFIOGJALKMYUNL-UHFFFAOYSA-N 382.811 3.537 0 40 GHAB COc1cccc(N2C[C@H](NC(=O)Nc3nc4ccc(C)cc4s3)CC2=O)c1 4373399 CFOXTQNEHCNEPT-CYBMUJFWSA-N 396.472 3.540 0 40 GHAB COc1cccc(N2C[C@@H](NC(=O)Nc3cccc4ccccc34)CC2=O)c1 5189736 HUFNFYHDVLELIL-INIZCTEOSA-N 375.428 3.775 0 40 GHAB O=C(NCCn1nc(-c2cccs2)ccc1=O)c1ccc(Cl)cc1Cl 8954834 MRHXCARATXQKTJ-UHFFFAOYSA-N 394.283 3.709 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)cc1 11612889 SYOKDXOHXGSCDM-QGZVFWFLSA-N 394.443 3.537 0 40 GHAB CCc1ccccc1NC(=O)Cc1cc(=O)[nH]c(SCc2ccccc2)n1 23138013 MMFPNWKORRFKDZ-UHFFFAOYSA-N 379.485 3.806 0 40 GHAB COc1ccc(Nc2nc(-c3nnn(-c4ccc(F)cc4)c3C)ns2)cc1 49007575 ZPQAMKQFDKTZCI-UHFFFAOYSA-N 382.424 3.986 0 40 GHAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CCN(c2cccnc2)C(=O)C1 585150210 KCRGBCNCDWCSAT-UHFFFAOYSA-N 391.402 3.502 0 40 GHAB CC(C)(C)OC(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)O)c1 35950834 QDUCUBXLXCUHIP-UHFFFAOYSA-N 385.342 3.614 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C)c1cccc(Br)c1 40074061 OCJZRDOBAIBFOD-DOMZBBRYSA-N 381.314 3.663 0 40 GHAB Cc1sc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)nc1-c1ccc(F)cc1 40129583 FTNDJPIKTSRPNF-AWEZNQCLSA-N 390.484 3.590 0 40 GHAB O=C(NCc1cccnc1OC1CCCC1)Nc1ccccc1N1CCCC1=O 40104196 CWINBTMLKQFOLR-UHFFFAOYSA-N 394.475 3.852 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)NCCO[C@H]2CCCC[C@@H]2C)no1 40113171 DXUDYPAJZJQBQL-KSSFIOAISA-N 389.521 3.995 0 40 GHAB CCn1nc(C(C)C)cc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 31885854 QJPPJUSJZKJZGA-UHFFFAOYSA-N 399.520 3.725 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)cnc3c2)cc1 32074276 SSCGHRGEMYXHHA-UHFFFAOYSA-N 398.422 3.596 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CC[C@@H]1C(=O)Nc2ccccc21)CC3 20761125 JYFQGMQCKDEWMI-INIZCTEOSA-N 389.455 3.577 0 40 GHAB biogenic COc1ccccc1NC(=O)CSc1nncc2c1[nH]c1ccc(F)cc12 32752894 NKNYLGKAJQCMIR-UHFFFAOYSA-N 382.420 3.990 0 40 GHAB COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCC(C)C)c3N2)c1 884288 SAYQUWDKUXMVQM-HOTGVXAUSA-N 396.413 3.938 0 40 GHAB O=C(O)CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 2381373 JKHXCYZHQGRBRQ-UHFFFAOYSA-N 390.262 3.874 0 40 GHAB CN(C)CCN(CCc1ccccc1)C(=O)Cc1csc(-c2ccco2)n1 32931126 UVLNQYSITYRXDG-UHFFFAOYSA-N 383.517 3.579 0 40 GHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)NC3CCCCC3)o2)cc1OC 6035680 YLMCDMRPSNPSCJ-LBPRGKRZSA-N 391.493 3.683 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cc(=O)c2ccccc2o1 33051882 IWHXNYKZMWDNOT-UHFFFAOYSA-N 397.452 3.762 0 40 GHAB Cc1ccc(N(CCCC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1C 10331922 UETDMFRFUUPJOK-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)C 10472508 KNXUJCGORNPARJ-UHFFFAOYSA-N 384.476 3.594 0 40 GHAB COc1c(NC(=O)c2ccco2)cc(Br)c(N)c1Br 8702085 IPIZNRVMAYWVCK-UHFFFAOYSA-N 390.031 3.648 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810011 BLANRKZNQDUHDV-NSHDSACASA-N 384.860 3.808 0 40 GHAB COC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc2c1CC[C@@H](C)C2 643690 SBLAEBGGPOVQSC-LLVKDONJSA-N 389.473 3.929 0 40 GHAB Cc1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 715331 IMFCKFOAYSYUEY-OAQYLSRUSA-N 384.435 3.841 0 40 GHAB O=C(CNC(=O)OCc1ccccc1)NCC12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103912149 JLVQNPFJBKJXKZ-FBIZOPLVSA-N 390.911 3.607 0 40 GHAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)CC1 52410628 MJRYBSQNGWRMOJ-UHFFFAOYSA-N 379.526 3.515 0 40 GHAB O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)NCc1cccnc1 12324226 YXBPRLGXHKOEBX-UHFFFAOYSA-N 393.390 3.963 0 40 GHAB CCCn1c(O)c(C(=O)NCCc2ccc(Cl)cc2)c(=O)c2ccccc21 1241077 BKQDOLOIGVBPBD-UHFFFAOYSA-N 384.863 3.743 0 40 GHAB CC(C)=C1[C@@H]2CC[C@@H]1[C@H]1C(=O)N(c3sc4c(c3C(N)=O)CCCCC4)C(=O)[C@H]21 101055101 HDCVDXPMWRFFCF-WRFANHODSA-N 398.528 3.598 0 40 GHAB Cc1nc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)c(C(N)=O)c(C)c1C 24748854 KNIZIUNKCCDRGE-CQSZACIVSA-N 397.500 3.821 0 40 GHAB CCN(Cc1nonc1C)C(=O)c1ccc(COc2ccccc2Cl)o1 28235217 DJFQHNVOJYFWHD-UHFFFAOYSA-N 375.812 3.866 0 40 GHAB C[C@H]1Oc2ccc(N[C@@H](C(=O)N3CCCCC3)c3ccccc3)cc2NC1=O 12550593 PGMOTMBIHWFDQJ-FOIQADDNSA-N 379.460 3.572 0 40 GHAB Cc1cc(C)cc(-n2ccnc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 26045762 HJYOKGIORFHVMS-UHFFFAOYSA-N 393.468 3.795 0 40 GHAB CCn1cc(-c2nc(-c3ccc4c(c3)OCO4)no2)c(=O)c2cc(C)ccc21 57354779 ADZBHJFWWFYMIB-UHFFFAOYSA-N 375.384 3.776 0 40 GHAB COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(Cc1ccco1)C1CC1 26929116 HBXNBYPNIITWKI-UHFFFAOYSA-N 397.258 3.976 0 40 GHAB O=C(Cn1ccccc1=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235760 GIWCGGZMRVTMNV-UHFFFAOYSA-N 387.892 3.518 0 40 GHAB O=C(C[S@@](=O)Cc1ccc(Cl)cc1Cl)N1CCc2sccc2C1 58202307 DYKALBMOBIJSLS-HSZRJFAPSA-N 388.341 3.889 0 40 GHAB CCOc1ccccc1N1C[C@H](C(=O)N[C@H]2CCCc3ccccc32)CC1=O 3363576 RPYQMONEPFSIEL-MJGOQNOKSA-N 378.472 3.632 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)c(Br)c1 3314102 QWCOHNVPQIYXQS-UHFFFAOYSA-N 383.629 3.601 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)cc1 3302042 URSRTKQTRRNGBS-CSKARUKUSA-N 394.221 3.636 0 40 GHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2CN(Cc3cccnc3)C[C@H]21 306141142 VMCLTYFXCYAYDP-YLJYHZDGSA-N 382.510 3.565 0 40 GHAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](CC)c1ccc(C)cc1 36398101 BJCPJORQDJVYQD-GOSISDBHSA-N 390.505 3.782 0 40 GHAB NC(=O)c1ccccc1NCC(=O)Nc1ccccc1Sc1ccccc1 10840974 SQMVGCIJHPYWAO-UHFFFAOYSA-N 377.469 3.987 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(C[C@@H]1CCCO1)C3=O 2393099 MFPOOANXSNVSMM-OXJNMPFZSA-N 393.414 3.965 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1OC(C)C 2428456 WTDYTANBOUJJON-UHFFFAOYSA-N 397.500 3.581 0 40 GHAB O=S(=O)(Oc1ccccc1)c1cc(Br)ccc1Br 11635177 KKNXEECEILHGIP-UHFFFAOYSA-N 392.068 3.979 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1c(Cl)cccc1Cl 12928433 OCDMZZMVTKJQBC-UHFFFAOYSA-N 396.299 4.000 0 40 GHAB C[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc2c(c1)CCCC2 12920285 ITKURJBZFUKKCE-INIZCTEOSA-N 390.483 3.705 0 40 GHAB COc1ccc(OCCN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 8709265 DATJUBJRYZPTGM-QHCPKHFHSA-N 396.487 3.839 0 40 GHAB CCCSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 8803666 MXCVOMZSKZHANT-UHFFFAOYSA-N 378.457 3.997 0 40 GHAB O=C(COc1ncnc2sc3c(c12)CCC3)Nc1ccc(F)c(Cl)c1 39562813 AOZLRHGRXDGRJO-UHFFFAOYSA-N 377.828 3.990 0 40 GHAB Cc1cc(C)n2c(SCC(=O)N(Cc3ccco3)C3=CCCCC3)nnc2n1 5317436 MDZLZCOLGHXIAY-UHFFFAOYSA-N 397.504 3.913 0 40 GHAB COc1ccc(CC(=O)N2CCc3cc4c(cc3[C@@H]2C)OCCCO4)c(OC)c1 5451149 ZFVYXYUPAGMYET-HNNXBMFYSA-N 397.471 3.554 0 40 GHAB biogenic CCOc1ccccc1C(=O)NCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 6509142 FAXTZJXIBGLVFL-UHFFFAOYSA-N 382.504 3.771 0 40 GHAB O=S(=O)(NC1c2ccccc2Oc2ccccc21)c1ccc2c(c1)OCCO2 6602473 ZXADWTQHQDTOSM-UHFFFAOYSA-N 395.436 3.631 0 40 GHAB CC(C)N(C(=O)CSc1nc(COc2ccc(Cl)cc2)n[nH]1)C(C)C 9051835 YSHSFUIYZJBFAL-UHFFFAOYSA-N 382.917 3.775 0 40 GHAB CCC1CCC(C(=O)N[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C(C)C)CC1 4827208 RPINRGYSPUMLNU-PMTKGXAQSA-N 388.508 3.754 0 40 GHAB aggregator CCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)S2 6811811 NMZDATMDADRZHC-OALUTQOASA-N 393.516 3.855 0 40 GHAB O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)Nc1ccc2c(c1)CCC2 6945898 YYKAGLIVFFUQOR-NRFANRHFSA-N 395.455 3.529 0 40 GHAB Cc1cccc(NC(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 4996649 WMQRPSDXWZXVOO-UHFFFAOYSA-N 392.411 3.944 0 40 GHAB COc1ccc(-n2c(SCCC(N)=O)nnc2-c2ccccc2Cl)cc1 7034783 PNGHCQFESPOOQZ-UHFFFAOYSA-N 388.880 3.564 0 40 GHAB C[C@H](NC(=O)Cc1csc(N2CCCC2=O)n1)C12CC3CC(CC(C3)C1)C2 7921316 QTQLFKOJMGSKBQ-JHMRYYBSSA-N 387.549 3.534 0 40 GHAB CCOC(=O)[C@H](NC(=O)c1ccc(F)cc1)c1c(C)nn(-c2ccccc2)c1C 8062353 YXOGTJYQSDVQPA-HXUWFJFHSA-N 395.434 3.662 0 40 GHAB Cc1ccc(NC(=O)COc2ccc(C(=O)Nn3c(C)ccc3C)cc2)cc1 8120826 LGGWOJCZZPOFBG-UHFFFAOYSA-N 377.444 3.815 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 8291533 HWBOPYDTNFVXRW-UHFFFAOYSA-N 380.897 3.552 0 40 GHAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(OC[C@H]2CCCO2)cc1 8229635 SJBWOYQIDLUGBS-GOSISDBHSA-N 380.444 3.624 0 40 GHAB COc1ccc(-c2nc(NC(=O)[C@@H](NC(C)=O)C3CCCC3)sc2C)cc1 9337140 OQQAYYLNMTULMJ-SFHVURJKSA-N 387.505 3.761 0 40 GHAB Cc1csc(=O)n1CCC(=O)OCc1csc(Nc2ccccc2)n1 9591654 OLZOSWYASODRCA-UHFFFAOYSA-N 375.475 3.552 0 40 GHAB CCCCCC(=O)NC(=S)Nc1ccc(I)cc1F 408627142 KSQMLDIHMQOINA-UHFFFAOYSA-N 394.253 3.824 0 40 GHAB CC(C)Cc1ccc([C@H](NC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 9795485 GSKDAZACQSBSSJ-OAQYLSRUSA-N 395.551 3.904 0 40 GHAB C[C@H](OC(=O)C[C@H]1CSCCS1)C(=O)Nc1ccc2ccccc2c1 95443961 GCJOAYNVTIFFSI-GUYCJALGSA-N 375.515 3.949 0 40 GHAB CCCCOCc1nn(CCC(F)(F)F)cc1I 408717013 UUSIZHBIMYOXEA-UHFFFAOYSA-N 376.160 3.757 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 22525807 UBUOFFVVPQYHAS-UHFFFAOYSA-N 389.260 3.626 0 40 GHAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 30847433 BQDHPUSUEYOMHO-IBGZPJMESA-N 390.505 3.584 0 40 GHAB CCc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2CC)cc1 408646436 OHAMTGIWZFYZGH-UHFFFAOYSA-N 382.460 3.712 0 40 GHAB O=C1NCCN(C(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)[C@H]1c1ccccc1Cl 529017740 MAYAQEWEWMRKRZ-FCEWJHQRSA-N 386.854 3.672 0 40 GHAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(C)cc1 33658617 YEKSOVHBBISVCO-UHFFFAOYSA-N 375.808 3.655 0 40 GHAB O=C(Cc1csc(-n2cccc2)n1)NCCc1c[nH]c2ccc(Cl)cc12 32102605 PGMRJTZDSQLCTG-UHFFFAOYSA-N 384.892 3.970 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@H](C)Cn3ccnc3C)[C@H]3CCCC[C@H]32)cc1 72337843 XPONAEOUUQYWOU-OUQVEZOVSA-N 381.520 3.925 0 40 GHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(OC)c(OC)c1 30866073 STPCZXPTSLXUDX-KRWDZBQOSA-N 377.868 3.874 0 40 GHAB O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1 77198060 VFVPJIWGQISTGL-UHFFFAOYSA-N 388.777 3.560 0 40 GHAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1 225739227 YYTKRUIABKYXNJ-JOCHJYFZSA-N 392.540 3.712 0 40 GHAB Cc1ccc(OCc2ccc(C(=O)NCC(=O)Nc3ccc(F)cc3)o2)cc1 47080972 WIYMTPPREAJGJV-UHFFFAOYSA-N 382.391 3.675 0 40 GHAB CCOc1ccc(S(=O)(=O)NCc2cccnc2-c2ccsc2)cc1F 225649083 QAPJUPNNEBJBHE-UHFFFAOYSA-N 392.477 3.826 0 40 GHAB CN(C)C(=O)c1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1 225545484 BEMKBMABTOXQID-UHFFFAOYSA-N 375.925 3.961 0 40 GHAB COc1cc(C(C)=O)ccc1OCCCC(=O)N(C)Cc1ccc(F)cc1F 40120715 ZUMMODXHQBFXEQ-UHFFFAOYSA-N 391.414 3.994 0 40 GHAB Cc1nc(C2(NC(=O)COc3ccc(Oc4ccccn4)cc3)CCCC2)no1 44695535 UVIOKZFNEROMRP-UHFFFAOYSA-N 394.431 3.530 0 40 GHAB CN(Cc1ccccc1NC(=O)N[C@@]12C[C@H]1COC2(C)C)C(=O)c1cccs1 528987393 BZKIDAUNZFKHBD-BTYIYWSLSA-N 399.516 3.709 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC(NC(=O)OC(C)(C)C)CC2)c1 47539720 AULGQQFVAGBONG-MRXNPFEDSA-N 375.513 3.620 0 40 GHAB C[C@H](NC(=O)C1CCN(C(=O)NCc2ccco2)CC1)c1ccc(Cl)cc1 40130240 HADXSQOAEWNUME-AWEZNQCLSA-N 389.883 3.732 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@@]12CCN(C(=O)c1ccc(Cl)cc1)C2 96227757 HHAPLPXZPHHFLM-IIBYNOLFSA-N 398.846 3.560 0 40 GHAB COCCn1c(C(=O)NCc2cc(F)cc(F)c2)cc2c1c1ccccc1n2C 96037236 ADWSLFNHMHCLOP-UHFFFAOYSA-N 397.425 3.988 0 40 GHAB NS(=O)(=O)c1ccc2c(c1)[C@H](NCCc1cc(Cl)cc(Cl)c1)CCC2 581161412 YCBSXRGCAFWLSV-GOSISDBHSA-N 399.343 3.851 0 40 GHAB Cc1cnc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)cn1 257341793 ZLZNMIMFLZSPTN-LJQANCHMSA-N 380.423 3.870 0 40 GHAB C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)Cc2cccc(Cl)c2Cl)C1 622660966 SZXSPYFGXXJKOT-LLVKDONJSA-N 383.241 3.879 0 40 GHAB C[C@@H]1c2sccc2CCN1CC(=O)NCC1(c2ccccc2)CCOCC1 1655479998 AIXCBSMBBYLHHC-QGZVFWFLSA-N 384.545 3.532 0 40 GHAB Cn1cc(CNc2cccc([C@H]3CNC(=O)C3)c2)c(-c2cc(F)ccc2F)n1 1655956908 MNCBGXNMTAXDFV-CQSZACIVSA-N 382.414 3.581 0 40 GHAB O=C(O)[C@@H](c1ccccc1F)N1CCC(c2nc(-c3ccccc3)no2)CC1 652409924 CBYUWUUCTYPPJP-GOSISDBHSA-N 381.407 3.881 0 40 GHAB O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2c(O)nc(N3CCCCC3)nc2N1 670416062 DOQHMSUSMOQEOF-LBPRGKRZSA-N 393.274 3.953 0 40 GHAB O=Cc1cc(Cl)c(F)cc1OS(=O)(=O)Cc1cc(Cl)ccc1F 1190759197 LHDCEXNOLLRPCP-UHFFFAOYSA-N 381.183 3.993 0 40 GHAB Cc1nc(C)c(CN2CCC[C@@]3(CCC(=O)N3Cc3cncs3)CC2)s1 585100182 HEVDGTBDBRXEDL-LJQANCHMSA-N 390.578 3.764 0 40 GHAB COc1cc(OC)cc(OCC(=O)Nc2ccc(Br)c(C)c2)c1 5476694 OWBQBXOCHOLLKP-UHFFFAOYSA-N 380.238 3.792 0 40 GHAB COc1ncc(-c2nc(N3CCCCC3)ncc2-c2ccsc2)c(OC)n1 12327577 OXTNFRMOQRHACQ-UHFFFAOYSA-N 383.477 3.670 0 40 GHAB CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 12981754 NQYQBKLRJQKETR-AWEZNQCLSA-N 378.469 3.853 0 40 GHAB COc1cc(CCC(=O)N2CCCC[C@H]2c2nc3cc(C)c(C)cc3[nH]2)on1 19125284 OKFIZZCNEKIYBY-SFHVURJKSA-N 382.464 3.863 0 40 GHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)C2CC2)C1 19591011 FWHYTGYWAZIKFD-DEOSSOPVSA-N 376.500 3.661 0 40 GHAB CCn1ccc(-c2cc(NCC3(c4ccccc4)CCOCC3)nc(C)n2)n1 19655729 BYCMTGLZOWPYEF-UHFFFAOYSA-N 377.492 3.829 0 40 GHAB COCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 19694474 YMDVUEGMRPLCBJ-KRWDZBQOSA-N 388.899 3.563 0 40 GHAB CC(=O)Nc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1 8180195 UFPJGPQVDYPYJH-YBEGLDIGSA-N 385.217 3.752 0 40 GHAB CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cn2c(n1)COCC2 606445031 LFJHDCMBQXBCKR-UHFFFAOYSA-N 381.398 3.731 0 40 GHAB CN(C)c1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)C2CC2)n1 12089205 WTUPVFQWJURQBW-UHFFFAOYSA-N 387.487 3.543 0 40 GHAB CC(=O)N1CCc2nc([C@H]3CCCN(C/C(C)=C/c4ccccc4)C3)ncc2C1 19014409 GMVVEXYMNRQTRN-DOIQENQNSA-N 390.531 3.664 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@H]2CN(c3ncnc4ccccc34)C[C@@H]2C1 1888914177 KNOYBFUATBRJJT-ZIAGYGMSSA-N 385.393 3.616 0 40 GHAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)NCc2ccc(F)cc2)nn1 1776009867 VIOZHOGWZOTLSC-JWTNVVGKSA-N 385.487 3.792 0 40 GHAB CCCn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(OCC)ccc21 4193312 OEYFZHQTYOHJIF-UHFFFAOYSA-N 389.448 3.782 0 40 GHAB COc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 15880212 ODIYRSXAKMPUQP-UHFFFAOYSA-N 379.485 3.962 0 40 GHAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3)nc2O)cc1 16806831 CWGADUMAYSCGMA-UHFFFAOYSA-N 380.473 3.516 0 40 GHAB CC(C)c1ccc(NC(=O)C(=O)NCC2(c3cccs3)CCOCC2)cc1 21690688 CZZONSXLNGZKQZ-UHFFFAOYSA-N 386.517 3.675 0 40 GHAB CN(C)[C@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1Cl 32700109 GKSMNYRWCMRSRK-HXUWFJFHSA-N 386.923 3.807 0 40 GHAB Cc1nn(CCNC(=O)c2cc(=O)c3ccccc3o2)c(C)c1-c1cccs1 575612522 GLGZUROAKVGMQJ-UHFFFAOYSA-N 393.468 3.765 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@H](Oc3ccncc3Cl)C2)cc1OC 575613732 SQKWUIBDVHOKOH-AWEZNQCLSA-N 391.855 3.828 0 40 GHAB Cn1cc([C@H]2CN(C(=O)c3cc(-c4ccccc4)on3)Cc3ccccc32)cn1 585409079 PLIDKFBXVIXGME-HXUWFJFHSA-N 384.439 3.863 0 40 GHAB CCOc1ccc([C@H]2C=C(c3ccc(C)cc3)Nc3nc(CCCO)nn32)cc1 100806470 GOMFXVMAKDXAGQ-OAQYLSRUSA-N 390.487 3.966 0 40 GHAB CSc1nc2nc(C)c(CC(=O)N3CC[C@H](C)c4ccccc43)c(C)n2n1 31782243 YBFLYRWAGAIIMK-LBPRGKRZSA-N 381.505 3.546 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(OC)c1 51364451 IXXBQRDQXKZFHM-QGZVFWFLSA-N 390.439 3.862 0 40 GHAB O=C(Nc1ccc2ccccc2c1)C1=C(c2ccccc2)S(=O)(=O)CCO1 32102812 HYXARTAQOOOMTJ-UHFFFAOYSA-N 379.437 3.592 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)COc2cccc3ccccc23)CC1 32504768 PHQDTHHBQKXWOB-UHFFFAOYSA-N 389.499 3.999 0 40 GHAB COc1ccc([C@H](NC(=O)NCCc2cccc(Cl)c2)c2nccn2C)cc1 32802577 FZXMECHPXWJKEN-IBGZPJMESA-N 398.894 3.713 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)N[C@H](C)CCCC(C)C)c12 32903469 LFGOBOYOJXARAY-CYBMUJFWSA-N 387.480 3.896 0 40 GHAB Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C1=C(O)c3ccccc3C1=N2 102704903 XKKLTPPHFMUAMV-ZDUSSCGKSA-N 376.803 3.555 0 40 GHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccc2c(c1)OCCO2 4947834 WBKVOWUVLGHLCM-QILLFSRXSA-N 376.449 3.619 0 40 GHAB COc1cccc2c(C)nc(Nc3nc(C)c4c(n3)CC(C)(C)CC4=O)nc12 6759259 NCUZSVIOHKQIDW-UHFFFAOYSA-N 377.448 3.944 0 40 GHAB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc2c(c1)OCO2 6961913 ZRTCHLJVTATGFT-YVLHZVERSA-N 377.444 3.789 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1OCC 7927782 OVQKPVARFHORNZ-UHFFFAOYSA-N 385.869 3.947 0 40 GHAB O=C(Cc1csc(-c2ncccn2)n1)Nc1ccc(OC(F)(F)F)cc1 47195735 BJRICFXPGITXLJ-UHFFFAOYSA-N 380.351 3.680 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CN1C[C@H](c2ccccc2)CC1=O 623722 ZGIRNJIVTOSTPT-OAHLLOKOSA-N 387.277 3.712 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 10472640 ZGMBGIFFEPTVGK-UHFFFAOYSA-N 398.503 3.768 0 40 GHAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]21 100776293 ZJSYXKOHRTZXIW-BZZMCLGOSA-N 386.234 3.953 0 40 GHAB O=C(CN(Cc1ccc(F)cc1)C1CCCCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 9377088 CTRIXTYVYZZZDV-UHFFFAOYSA-N 396.466 3.769 0 40 GHAB Cc1ccc(CNC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2C)cc1 9593351 JLEQGJGTPUUGCD-MRXNPFEDSA-N 396.516 3.672 0 40 GHAB O=C(CN1CCN(c2ccccc2O)CC1)N(Cc1ccco1)C1=CCCCC1 12595615 HCHUMRKPQCEGRJ-UHFFFAOYSA-N 395.503 3.594 0 40 GHAB CN([C@H](c1ccc(Cl)cc1)c1nccn1C)S(=O)(=O)c1cccs1 12550632 LJMDTUNDYSLQLM-OAHLLOKOSA-N 381.910 3.545 0 40 GHAB O=c1[nH]c(CSc2nnc3n2CCCCC3)nc2scc(-c3ccco3)c12 12599257 AVUHMEXGKOEOPL-UHFFFAOYSA-N 399.501 3.855 0 40 GHAB COc1cccc(N2CCN(C(=O)c3cc(-c4cccc(Cl)c4)[nH]n3)CC2)c1 25102217 GZYLRRUCMBRVMR-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB CCNc1c(NS(=O)(=O)c2cccc(Cl)c2)c(=O)oc2ccccc12 101095549 NFKILSPPMFQGMM-UHFFFAOYSA-N 378.837 3.679 0 40 GHAB O=C(c1ccc(Br)cc1F)N1CCN(CCc2ccccc2)CC1 57810209 ACYOIHQKVVDTHH-UHFFFAOYSA-N 391.284 3.589 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCS(=O)(=O)c1ccc3c(c1)CCC3)C2 107332372 GPXJQKRGKOGWTC-JLMWRMLUSA-N 389.561 3.670 0 40 GHAB C[C@H](NC(=O)c1coc(=O)c(Br)c1)[C@H]1[C@H]2C[C@@H]3C[C@@H]2CC[C@@H]1C3 102760004 PGLXEDMYMQAPFM-MHCVOUGUSA-N 380.282 3.593 0 40 GHAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)NCc1ccco1 57486784 UJYAEWYOICTXGK-UHFFFAOYSA-N 382.807 3.768 0 40 GHAB COc1ccc(C(=O)NCc2ccc(OC3CCCC3)c(OC)c2)cc1OC 48281397 IUYTWKVDPWONHM-UHFFFAOYSA-N 385.460 3.964 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1cccc(Br)c1)C(=O)C2 100098351 HCGSDWMMJYKWLJ-MEDUHNTESA-N 386.311 3.586 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2ccc(C)cc2C)cc1 22275306 UNWSHSQEFOWACZ-UHFFFAOYSA-N 388.533 3.722 0 40 GHAB CCOc1ccc(OCCCC(=O)N(CCC(=O)OC)Cc2ccccc2)cc1 24970933 AHTJYPBIHXVKOE-UHFFFAOYSA-N 399.487 3.836 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)NCc2ccccc2OC(F)F)c1 10287378 FMFNAAXIMIWFSH-LBPRGKRZSA-N 380.391 3.866 0 40 GHAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(N2CCc3ccccc32)cc1 58268963 NGPAJFGOFLCXJZ-INIZCTEOSA-N 378.476 3.513 0 40 GHAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1ccc(-n2cnnn2)cc1 12768089 XCAOZIFPHRWAAV-UHFFFAOYSA-N 396.863 3.620 0 40 GHAB COc1ccccc1[C@H](CNC(=O)Nc1ccc(F)cc1F)N1CCCC1 12795980 SZBBOQWFSYLFKZ-SFHVURJKSA-N 375.419 3.932 0 40 GHAB Cc1nc(N2CCN(c3cnccn3)CC2)c2c(-c3cccs3)csc2n1 11010787 MIVKXCKVLWTNLA-UHFFFAOYSA-N 394.529 3.845 0 40 GHAB Cc1ccc(CNC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1F 48354129 QUFJZMGPQUVMNJ-UHFFFAOYSA-N 387.436 3.603 0 40 GHAB COc1ccc(CCCN(C)C(=O)c2ccc(-n3cccn3)cc2)cc1OC 12888661 KGQAYCMYQTVVJH-UHFFFAOYSA-N 379.460 3.594 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2N1Cc1ccccn1 306137536 QZFIHNGFOKFXDX-RTWAWAEBSA-N 392.890 3.618 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2C(C)C)cc1 9336481 KOZBTRPLSBBAMU-FQEVSTJZSA-N 386.517 3.910 0 40 GHAB Cc1nc(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)sc1C 29581936 OSZUPHLAJOIOPE-UHFFFAOYSA-N 376.441 3.711 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)c3cc(C)n(Cc4ccco4)c3C)nc2n1 3467010 NCZNXWODBCJJEG-UHFFFAOYSA-N 395.488 3.776 0 40 GHAB C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(C(N)=O)cc1 3437841 CSMZXILUXVKUGJ-MRXNPFEDSA-N 390.439 3.771 0 40 GHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NCCc1ccccc1 3413241 WSOOLCYYXFLWMK-UHFFFAOYSA-N 378.501 3.596 0 40 GHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccccc2OCc2ccc(F)cc2)no1 12948908 XSKCBJVXURICOU-AWEZNQCLSA-N 398.390 3.885 0 40 GHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1Cl 12992979 FQCHFBYRYOSHFQ-UHFFFAOYSA-N 379.287 3.756 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)o2)cc1 13114538 AIXDMVSIDYUFCZ-DVOMOZLQSA-N 375.494 3.778 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)NCC1(c2cccc(F)c2)CCCCC1 63082429 WWGPRHQZXMTBPA-UHFFFAOYSA-N 382.435 3.752 0 40 GHAB Cc1ccc2nsnc2c1S(=O)(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 4127547 UOGUERLATFLADA-UHSVVUDUSA-N 391.562 3.883 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2N)c1 5072279 FHUCZLONPYWIIH-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB O=C(CCCn1nnc2ccccc2c1=O)Nc1cc(Cl)cc(Cl)c1 5303176 PVULGDNMTXBQBN-UHFFFAOYSA-N 377.231 3.517 0 40 GHAB COc1ccccc1-c1noc(CSc2nnc(-c3ccccc3)n2C)n1 6452579 YANFZEQWWGPWJE-UHFFFAOYSA-N 379.445 3.833 0 40 GHAB Cc1[nH]c2ccc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)cc2c1C 14228547 KPARGWSXSATDAE-JOCHJYFZSA-N 377.488 3.588 0 40 GHAB Cc1cc(S(=O)(=O)n2nc(C)c(Br)c2C)c(C)cc1Cl 6527747 LIYIPEGVBFLBSF-UHFFFAOYSA-N 377.691 3.770 0 40 GHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H](NC(N)=O)c1cccs1 14383370 BRIAMTXCNNOQLU-CYBMUJFWSA-N 386.304 3.813 0 40 GHAB CCOc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Br 4667121 ZEGRGFWQZPWWED-VXGBXAGGSA-N 376.316 3.514 0 40 GHAB Cc1ccc(S(=O)(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 6626174 HXSWDEZMBDOVEM-UHFFFAOYSA-N 384.331 3.888 0 40 GHAB CC(C)(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1 6615694 HLLKCLLARZDENW-LJQANCHMSA-N 377.440 3.628 0 40 GHAB COc1ccc([C@@H]2N=C(Nc3ccc(C)c(C)c3)Nc3nc(C)cc(=O)n32)cc1 4737084 WILCLCDBRYPBKX-HXUWFJFHSA-N 389.459 3.618 0 40 GHAB Cc1csc(SCc2ccccc2C(=O)OCC(=O)NCC(C)C)n1 4798107 MBPLYQBOSLCAGF-UHFFFAOYSA-N 378.519 3.673 0 40 GHAB COc1ccc(-c2cc(-c3nnc(S)n3-c3ccccc3OC)[nH]n2)cc1 5790187 XXKUUHASHWLJJV-UHFFFAOYSA-N 379.445 3.630 0 40 GHAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cccc2c1OCCO2 67067306 KWBZVRGCJQSYGI-UHFFFAOYSA-N 380.322 3.687 0 40 GHAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C(N)=O)c(Br)c1 7022572 NXXOUCAOXLDHJN-UHFFFAOYSA-N 397.656 3.527 0 40 GHAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(C(N)=O)cc3)cc12 7770591 JAMQISQWFVBQEZ-UHFFFAOYSA-N 376.441 3.747 0 40 GHAB CCN1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 9184254 NRELYTBTJTUAFX-UHFFFAOYSA-N 376.456 3.546 0 40 GHAB COc1ccccc1COC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 8231084 MXFKZPMTCCNGQB-MRXNPFEDSA-N 387.863 3.944 0 40 GHAB COc1ccc(CNC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 8272478 RIWHTPFDTFWTOS-UHFFFAOYSA-N 399.450 3.633 0 40 GHAB COc1ccccc1CSCc1nc(N)nc(Nc2ccccc2OC)n1 9220468 GTYGOCIYPZNQHA-UHFFFAOYSA-N 383.477 3.648 0 40 GHAB COc1cccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 8310294 KJALLAUPVUNDNE-LJQANCHMSA-N 382.460 3.632 0 40 GHAB C[C@H]1CCc2c(sc(NC(=O)c3cnc(Cl)c(Cl)c3)c2C(N)=O)C1 8324950 XXZLOWWOEVFEKM-ZETCQYMHSA-N 384.288 3.926 0 40 GHAB O=C(c1cc2cc(Br)ccc2o1)N1CCC[C@@H]1[C@H](O)C(F)(F)F 84451742 LYLOEEXBOPIASL-MFKMUULPSA-N 392.171 3.723 0 40 GHAB Cc1cnc([C@@H](C)N2CCCN(C(=O)c3ccccc3C(F)(F)F)CC2)o1 95458184 HVCZVHHGTLARMY-CQSZACIVSA-N 381.398 3.911 0 40 GHAB C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccnc1 408736702 FULXALRQKSDJQC-YJBOKZPZSA-N 385.464 3.519 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 30681519 ACLLATYTGNCJOL-QQLRIGLLSA-N 397.519 3.938 0 40 GHAB Cc1ccc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccc2)s1 306136025 PGWWMKSKCKFEBC-RTWAWAEBSA-N 377.513 3.940 0 40 GHAB CC(C)c1cccc(-n2cc(O)c(C(=O)Nc3c[nH]nc3-c3nccs3)n2)c1 508343462 YSIRGIIFCFJXCL-UHFFFAOYSA-N 394.460 3.800 0 40 GHAB CCOc1ccccc1NC(=O)C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21 39964122 MMCFDOVKTIHKJY-GOSISDBHSA-N 390.443 3.514 0 40 GHAB CCOC(=O)c1ccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)nc1C 30580170 GMAKDJLQGJHPOZ-UHFFFAOYSA-N 380.366 3.558 0 40 GHAB O=C(Nc1cccnc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 30856769 VPBLQCCACBCQLB-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 222953919 LLAJUBLIXAQMBJ-NRFANRHFSA-N 396.531 3.916 0 40 GHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc3ccccc3c2)c1 222794026 NDGSCUUGHQRDGW-UHFFFAOYSA-N 388.876 3.795 0 40 GHAB Cc1cccc(-c2nnc(S(=O)(=O)[C@@H]3CCc4c(Cl)cccc43)n2C)c1 133029071 CSGNWMRMQYJQSR-QGZVFWFLSA-N 387.892 3.905 0 40 GHAB CCOC(=O)Cn1c2ccccc2n2c(=O)cc(-c3cccc(Cl)c3)nc12 40484635 FKMQFGIIAUCMOO-UHFFFAOYSA-N 381.819 3.533 0 40 GHAB O=C(NC1CCCCCC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 40068774 XUAQNXHEAAFZHZ-ZDUSSCGKSA-N 379.298 3.641 0 40 GHAB O=C(NCc1ccccc1F)Nc1cc2c(cc1Br)OCCO2 43455865 PGRDAMMNLRPDBQ-UHFFFAOYSA-N 381.201 3.681 0 40 GHAB Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCNc1ccccc1 225049857 GQZOCXCGMCXFFL-NHCUHLMSSA-N 391.544 3.895 0 40 GHAB CC[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(C)cc1C 225850422 HQKMPWKQEPCGHG-WOJBJXKFSA-N 388.533 3.503 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220528482 ZORMTXPOOIPUCN-PKOBYXMFSA-N 388.533 3.725 0 40 GHAB COCCNC(=S)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1 225899023 CYUIVJFWGWNZCL-UHFFFAOYSA-N 396.472 3.994 0 40 GHAB Cn1c(SCC(=O)NCCc2ccc(F)cc2)nc2cc(Cl)ccc21 48343789 VMNVMUXTDKZXLE-UHFFFAOYSA-N 377.872 3.817 0 40 GHAB Cc1ccccc1CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NCC(C)C 225693530 ZONNXRANENDBSC-GOSISDBHSA-N 384.495 3.866 0 40 GHAB CCSc1nnc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)s1 224022467 DCMDGLCLCZTJDP-UHFFFAOYSA-N 384.335 3.899 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 223537056 HRAACIGUTGMOLR-QGZVFWFLSA-N 388.533 3.509 0 40 GHAB COc1cccc(-c2noc(CNC(=S)Nc3ccc(F)cc3F)n2)c1 225822375 VZYSIVMBSWQNCM-UHFFFAOYSA-N 376.388 3.510 0 40 GHAB CN1Cc2c(NC(=O)N3CC[C@@H](Oc4ccc(Cl)cc4)C3)cccc2C1=O 580300130 QMCLFMKNJNTJEQ-OAHLLOKOSA-N 385.851 3.611 0 40 GHAB CCN1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)c3ccccc3)CC[C@@H]12 96145308 HJJFEWMJGBBEJX-ZJSXRUAMSA-N 391.515 3.642 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@@]12CCN(C(=O)c1ccc(Cl)cc1)C2 96227759 HHAPLPXZPHHFLM-HRAATJIYSA-N 398.846 3.560 0 40 GHAB CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 528984954 ZETFYJBJRUUYNY-CTFOTTMXSA-N 398.528 3.825 0 40 GHAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)Cc4ccccc4F)CC3)n2n1 257334844 YHPBQIYFBXRTOH-QAQDUYKDSA-N 380.467 3.810 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(Cc2ccncc2)C2CC2)[C@@H]1c1ccccc1 257329264 XJCRDAWTNSUMJG-IRLDBZIGSA-N 377.488 3.572 0 40 GHAB C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccncc2)CC1 257310636 UFYAFKDMWKPDSR-PSBWJHGTSA-N 393.535 3.651 0 40 GHAB Cc1ccc2c(c1)OC1(CCN(Cc3cnc(C)nc3)CC1)[C@H]1CCCO[C@H]21 257287622 PQTGATFKEKGTTN-RBBKRZOGSA-N 379.504 3.988 0 40 GHAB O=C(N1CCC[C@H](Cc2ccccn2)C1)C1(c2ccccc2F)CCOCC1 257280037 OJEZHFAAXLBHDB-GOSISDBHSA-N 382.479 3.750 0 40 GHAB CCC(=O)Nc1ccc(OC)cc1NCC1CCN(C(=O)CC(C)C)CC1 585080762 BJTKFZJYMMRENW-UHFFFAOYSA-N 375.513 3.740 0 40 GHAB COC(C)(C)C(=O)N1CC[C@H](c2c(C(=O)NC(C)C)sc3ccccc23)C1 257251892 JSSLBJMEPIOGIF-AWEZNQCLSA-N 388.533 3.780 0 40 GHAB Cn1ccnc1CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257288945 PWJMJUXXBOYOEE-FXAWDEMLSA-N 387.911 3.968 0 40 GHAB NC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)CC[C@@H]1C(F)(F)F 627048240 VWXFCMSPJUOVBJ-MHORFTMASA-N 383.458 3.739 0 40 GHAB O=C(NC[C@H]1CCCc2ccccc21)N1CCN(CCOc2ccccc2)CC1 1628805262 JCWLKOHBQOGOJR-OAQYLSRUSA-N 393.531 3.513 0 40 GHAB Cc1c(Br)ccc(O)c1NC(=O)C[C@@H](n1cccn1)C(F)(F)F 615473467 FIDXKJGJDNJOCI-LLVKDONJSA-N 392.175 3.792 0 40 GHAB C[C@H]1CC[C@H](NC(=O)Nc2ccccc2-c2c(F)cccc2F)CS1(=O)=O 666813134 TXLQJBWYOOHTLQ-STQMWFEESA-N 394.443 3.719 0 40 GHAB O=C(CCc1cccc(Cl)c1)N1CCC(S(=O)(=O)c2ccccc2)CC1 96372152 IWCCJSNPFVXHBL-UHFFFAOYSA-N 391.920 3.738 0 40 GHAB CCCCOc1ccc(NC(=O)NC[C@@H](O)c2ccc3c(c2)CCN3C)cc1 96363123 PMMDSKGZANSCCU-OAQYLSRUSA-N 383.492 3.713 0 40 GHAB CCc1ccc(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)cc1 585111158 HCLZTGFHQANLRV-OAQYLSRUSA-N 375.472 3.538 0 40 GHAB Cc1nc(C)c(CN2CCOC[C@@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)s1 585103681 FHFOLQGTXVVVGM-JTSKRJEESA-N 399.560 3.572 0 40 GHAB COc1cc(NC(=O)Cc2cccc(OC(C)C)c2)ccc1N1CCCC1=O 66018877 MOCMTGQZRGYPEY-UHFFFAOYSA-N 382.460 3.790 0 40 GHAB Cn1ncc(C(=O)Nc2ccc([C@H](O)C(F)(F)F)cc2)c1Cc1ccccc1 1648856376 AJAAFBKBMLKTCU-SFHVURJKSA-N 389.377 3.859 0 40 GHAB COc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1OC 2271277 XXXOANQXASUFDL-ZROIWOOFSA-N 388.217 3.811 0 40 GHAB COc1ccccc1CC(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1 12132137 CEQPAJPXLPXJNJ-UHFFFAOYSA-N 394.496 3.969 0 40 GHAB COc1ccccc1NC(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 12222706 DIHSXNXDNNEQIG-UHFFFAOYSA-N 395.484 3.908 0 40 GHAB CCNc1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(=O)oc2ccccc12 16681917 BLUSHCCVHGLCJJ-UHFFFAOYSA-N 398.415 3.503 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)cc2n1 19522361 VKQIJCJPFGSKEX-UONOGXRCSA-N 392.425 3.983 0 40 GHAB CCOc1ccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 19533279 JBDULKQGYZJBJO-QFIPXVFZSA-N 394.519 3.507 0 40 GHAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2c2ccccc2F)n1 12163519 IVYRMNYHIYLYDT-DLBZAZTESA-N 395.409 3.792 0 40 GHAB Cc1cc(C(=O)NCc2ccc(-c3nc(C)ncc3-c3ccccn3)cc2)on1 12223038 RUKBEEKQYYYDTD-UHFFFAOYSA-N 385.427 3.740 0 40 GHAB CC(C)Oc1cc(CCC(=O)N2CCC(c3cc4ncccc4cn3)CC2)on1 12224291 PBJJRRLPICQLOV-UHFFFAOYSA-N 394.475 3.744 0 40 GHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)no1 7110133 BMNYPEVYBNIABI-LBPRGKRZSA-N 389.408 3.514 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncc(Cl)cc2F)CC1 1888890185 SKORDVZDLIMEPD-UHFFFAOYSA-N 386.858 3.809 0 40 GHAB COc1cc(NC(=O)[C@H](C)N(C)CCOc2ccccc2Cl)cc(OC)c1 15103465 ODNBMJOWADXZSO-AWEZNQCLSA-N 392.883 3.695 0 40 GHAB Cc1ccc(OCC2(O)CCN(C(=O)CCc3ccccc3F)CC2)cc1C 2037916003 GKQFEEXOXDZSGX-UHFFFAOYSA-N 385.479 3.808 0 40 GHAB O=C(NCc1cccc2ccccc12)NC[C@]1(O)CSCc2ccccc21 2087181308 OMHPSCJTJWVHCV-QFIPXVFZSA-N 378.497 3.774 0 40 GHAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccccc3OC)C2)cc1 907729 PZAMPEWNCSRTQL-LJQANCHMSA-N 396.443 3.636 0 40 GHAB COc1ccc(S(=O)(=O)N2CCN=C2SCc2cc(C)ccc2C)cc1 2711625 VIMILAVZOXIVDC-UHFFFAOYSA-N 390.530 3.606 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OCc1ccccc1C 5255033 AHSCSBUKIFYRNB-UHFFFAOYSA-N 398.846 3.950 0 40 GHAB CCCC(=O)N[C@@](Nc1ccc(F)c(Cl)c1)(C(=O)OCC)C(F)(F)F 5645489 NXTHGGRFKVOGMW-AWEZNQCLSA-N 384.757 3.629 0 40 GHAB CC1(C)COc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2NC1=O 9168933 STSZGATUXAWIMY-UHFFFAOYSA-N 396.468 3.998 0 40 GHAB Cc1cc(C(=O)N(CCn2cccn2)c2nc3c(Cl)cccc3s2)no1 23144765 ZZVPRYGYLNUKPG-UHFFFAOYSA-N 387.852 3.790 0 40 GHAB O=C(/C=C/c1ccccc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 23137291 ZKZFLEZDHWABRQ-CMDGGOBGSA-N 379.485 3.761 0 40 GHAB Cc1cc(C)nc(SCC(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)n1 40080582 SPMHRTYUQBQZMO-CQSZACIVSA-N 399.495 3.696 0 40 GHAB Fc1ccc(-c2nc(CN3CCN(Cc4ccc5c(c4)CCO5)CC3)co2)cc1 40051353 DOACDKHFTSNWQS-UHFFFAOYSA-N 393.462 3.733 0 40 GHAB O=C(CSc1nnnn1C1CCCC1)Nc1ccc(Cl)c2ncccc12 40059546 OWAUDJNUDVVCLE-UHFFFAOYSA-N 388.884 3.721 0 40 GHAB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nc(CCCO)nn32)cc1 100806445 LPDJQVVVUISZEY-IBGZPJMESA-N 396.878 3.921 0 40 GHAB COc1ccccc1OCC(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 31967597 MRTJGZYJJJLXMQ-UHFFFAOYSA-N 391.349 3.917 0 40 GHAB CCn1c(SCC(=O)c2cc(C)c(OC)cc2C)nnc1-c1cccnc1 32579385 HOJMTZRTAMSUQO-UHFFFAOYSA-N 382.489 3.960 0 40 GHAB CC(C)[C@@H](NC(=O)CCCNC(=O)c1ccsc1)c1nc2ccccc2[nH]1 32747534 FGVBXZUFPCDFQQ-GOSISDBHSA-N 384.505 3.648 0 40 GHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NC(C)(C)c1ccc2c(c1)OCCO2 60241467 ZPQYSHIZCMBORS-CYBMUJFWSA-N 375.852 3.930 0 40 GHAB CCN1CCN(c2ccc(NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)cc2)CC1 11951297 MTVHYBYOGYPZPF-KRWDZBQOSA-N 399.922 3.672 0 40 GHAB O=C(Cn1nnc(-c2ccsc2)n1)N[C@@H](c1ccc(F)cc1)c1cccs1 8000590 HIVHLAVYPLJYKI-KRWDZBQOSA-N 399.476 3.508 0 40 GHAB C[C@@H](NC(=O)CN(C)CC(=O)Nc1cccc(F)c1)c1ccc2ccccc2c1 8038177 HQWWDZOMZUWXAP-MRXNPFEDSA-N 393.462 3.727 0 40 GHAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(CN2C(=O)CCC2=O)cc1 18117969 RYVLBEJLLGPBEM-UHFFFAOYSA-N 399.859 3.851 0 40 GHAB CCN(CC)c1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 790628 AWDMPRRYDDCHJZ-UHFFFAOYSA-N 380.444 3.965 0 40 GHAB CCC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(OCC)cc2)c1 16601636 LKGLDIXOKSTWPN-HNNXBMFYSA-N 390.505 3.805 0 40 GHAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)N[C@@H]1CCc2ccccc21 32843828 IEOYNKDYMRTCQY-OAQYLSRUSA-N 377.488 3.799 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1Cn1ccnc1 32860066 REALEBPVGUTDFX-UHFFFAOYSA-N 389.484 3.688 0 40 GHAB CC(C)[C@@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccc(F)cc1 32889657 JXWQXMJYWAVLRE-JOCHJYFZSA-N 399.510 3.854 0 40 GHAB Cc1ccc2cc(CN(C(=S)NC[C@@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1 1224243 PWFSLUXMTUUVSK-IBGZPJMESA-N 399.560 3.635 0 40 GHAB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCc1ccccc1Cl 3317674 VUVRCCPGGGRLSZ-UHFFFAOYSA-N 397.645 3.559 0 40 GHAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc2c(c1)CCC2 3346842 DMWCPZZBZMAQBH-UHFFFAOYSA-N 375.457 3.726 0 40 GHAB COC(=O)c1ccc(CSc2ccc3nnc(-c4cccc(F)c4)n3n2)o1 4164605 IMRKMKYZFYGVNV-UHFFFAOYSA-N 384.392 3.602 0 40 GHAB CC(C)NC(=O)Cn1c(SCC(=O)OC2CCCCC2)nc2ccccc21 4859291 GZOSITJUBIWFJM-UHFFFAOYSA-N 389.521 3.529 0 40 GHAB NC(=O)c1cc(NC(=O)c2c(-n3cccc3)sc3c2CCCC3)ccc1F 33064727 KZOUDBULRGTRJA-UHFFFAOYSA-N 383.448 3.908 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 6946443 NAWKRXQOMNKKON-KRWDZBQOSA-N 388.533 3.749 0 40 GHAB CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C1=O 6965160 UJQLWUXKSACRHF-BOPFTXTBSA-N 390.505 3.767 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)c1ccccc1 7309661 YXHRZBSJXLGNRK-GFCCVEGCSA-N 384.295 3.540 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)o2)cc1 7604971 CWNUVTJSYPKZPK-UHFFFAOYSA-N 383.429 3.679 0 40 GHAB O=C1[C@@H]2[C@@H](c3ccc4ccccc4n3)N3CCC[C@@H]3[C@@H]2C(=O)N1c1ccccc1 103020475 RKOONEMLJYTHIL-CLAROIROSA-N 383.451 3.560 0 40 GHAB CCCOc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 2801917 ATSXTPFQAGOKOC-YLJYHZDGSA-N 380.444 3.654 0 40 GHAB biogenic,in-vitro C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NC(C)(C)C)cc1)c1ccccc1 8221788 CFOCKUMMPPTUTJ-INIZCTEOSA-N 388.533 3.573 0 40 GHAB CC(C)CC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 8503456 KVSJKMWZCNWXKV-WAIKUNEKSA-N 395.503 3.548 0 40 GHAB O=C(NCc1ccc(F)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 8033529 YGIFNMULGHNSKU-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB Cc1ccc(C)c(OCCN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 22784822 HXJYMMFPNQDWEY-UHFFFAOYSA-N 395.547 3.555 0 40 GHAB Nc1c(Cl)cc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1Cl 58557917 GNPJYJXRMQGPBE-AWEZNQCLSA-N 396.299 3.729 0 40 GHAB C[C@@H]1CCCN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)C1 8991283 RMPBBQKCOAKBEE-OAHLLOKOSA-N 393.439 3.803 0 40 GHAB biogenic CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c1 106091707 CJSACSLCNGCLQX-BXTJHSDWSA-N 382.460 3.516 0 40 GHAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1cccc(F)c1 1368014 KSNVHDRMYBOCAH-UHFFFAOYSA-N 389.477 3.733 0 40 GHAB O=C(CCCn1nnc(-c2ccccc2)n1)Nc1ccc(C(F)(F)F)cc1 58004653 DYUVUBDFNHSWDJ-UHFFFAOYSA-N 375.354 3.778 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)Cn1cnc2ccccc21 3293205 KIMQNDBPYWNWHF-UHFFFAOYSA-N 395.459 3.524 0 40 GHAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN(C)[C@H](C)c1ccc(F)c(F)c1 34889300 UHYIAKMAELRXKH-DYVFJYSZSA-N 393.430 3.609 0 40 GHAB Cc1noc(-c2ccc(C(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2)n1 55945649 CTENCGFRRZLIAT-RTBURBONSA-N 381.407 3.834 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1 57487392 FJKLLRXCWZVYFA-CYBMUJFWSA-N 387.530 3.762 0 40 GHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@@H](C)c1cccc(OC)c1 97127740 SDXVIFUJKJZUHG-AWEZNQCLSA-N 397.475 3.532 0 40 GHAB CCn1c([C@@H]2CCCN2C(=O)c2ccc([S@](C)=O)cc2)nc2ccccc21 72230283 PNXKNWHEMOUJRH-UZTOHYMASA-N 381.501 3.771 0 40 GHAB CCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3OC)c(C)oc2c1 2152805 TZCXDWSIIWFQGQ-UHFFFAOYSA-N 384.384 3.844 0 40 GHAB biogenic CCOc1ccccc1-c1nn2c(Cc3ccc(OC)c(OC)c3)nnc2s1 10311775 QGYXSYGJWKZHEX-UHFFFAOYSA-N 396.472 3.860 0 40 GHAB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1C(F)(F)F 27989336 BNSXACAXBOODDV-UHFFFAOYSA-N 376.334 3.607 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 27990742 ZYSRSNPRLRONQZ-UHFFFAOYSA-N 389.411 3.551 0 40 GHAB Cc1cc(CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c2[nH]c(C)c(C)c2c1 58420204 NYSWMYMYOFXJKI-GOSISDBHSA-N 396.535 3.637 0 40 GHAB CCS(=O)(=O)Nc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 48355179 ZNZXKFWCUMFTQO-UHFFFAOYSA-N 385.489 3.891 0 40 GHAB Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c2ccccc2n1 48369216 GWSBKHCATNHTHU-UHFFFAOYSA-N 388.471 3.885 0 40 GHAB COc1ccc(-c2nc(CSc3nnc(Cc4ccccc4)n3C)no2)cc1 12886644 HHXNGLBWBJCQRG-UHFFFAOYSA-N 393.472 3.757 0 40 GHAB CCOc1c(Cl)cc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1OC 12903034 RVXGAPSQFOVXEO-UHFFFAOYSA-N 399.878 3.922 0 40 GHAB COCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 12944425 XIBCMADJRFVSHN-UHFFFAOYSA-N 386.455 3.523 0 40 GHAB Cc1nc2cc(C(=O)NC[C@@H]3COc4ccccc4O3)ccc2n1-c1ccccc1 25465503 CFCGSDFBUJEAMF-LJQANCHMSA-N 399.450 3.904 0 40 GHAB COCC(=O)NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl 13556795 DWKULHYELSMWDJ-UHFFFAOYSA-N 389.858 3.572 0 40 GHAB COc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)c(OC)c1 17076876 OUNVQEWTJFKSTN-UHFFFAOYSA-N 375.856 3.711 0 40 GHAB COc1ccc(-c2nc(C)c3c(N)c(C(=O)N4CCCCC4)sc3n2)cc1 13624495 WLMNJFIXKMCYDX-UHFFFAOYSA-N 382.489 3.884 0 40 GHAB Cc1ccc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1S(=O)(=O)N(C)C 6087890 UULHRZYLPMKRQH-LBPRGKRZSA-N 392.546 3.684 0 40 GHAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1cccc2ccccc12 13729558 DGCBBVRHKRJUEV-UHFFFAOYSA-N 385.423 3.513 0 40 GHAB CCc1ccc([C@@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 17198151 GQECUBCDGRBCJT-QFIPXVFZSA-N 393.512 3.825 0 40 GHAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1NC(=O)c1ccc(Cl)cc1 408612782 YRRKTHKLPPYBKX-UHFFFAOYSA-N 380.897 3.835 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc1OC 6407184 WDTFVZQKLAPCPQ-XBXARRHUSA-N 393.798 3.691 0 40 GHAB Cn1cc(C(=O)c2cc(Cl)ccc2O)cc1-c1nc2ccsc2c(=O)[nH]1 14139663 MYFUGLMFDRXFOW-UHFFFAOYSA-N 385.832 3.580 0 40 GHAB COc1ccccc1N1CC(=O)N(c2ccccc2)[C@H](c2ccsc2)C1=O 5452017 WBOCQOZJUYQBTH-HXUWFJFHSA-N 378.453 3.878 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(F)cccc1Cl 5504848 GZEVYKRRSDWDBD-KRWDZBQOSA-N 389.814 3.754 0 40 GHAB CCN(C(=O)CSc1nnc(COc2ccccc2F)o1)c1ccccc1 408545981 BFVJSIVPIBHNIG-UHFFFAOYSA-N 387.436 3.933 0 40 GHAB CCOc1ccc(NC(=O)c2ccccc2OCc2noc(C)n2)cc1OC 14779559 OWXYLQZIVQCBLH-UHFFFAOYSA-N 383.404 3.617 0 40 GHAB Fc1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)cc1 6758407 DSLUZVHJJNHQPR-UHFFFAOYSA-N 395.463 3.943 0 40 GHAB CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)N(C)C)c1ccccc1 17725802 YQLHSPDJLRJGMN-IBGZPJMESA-N 380.517 3.810 0 40 GHAB CCCOc1ccc([C@H]2[C@@H](C(=O)OCC)C(=O)Nc3nc4ccccc4n32)cc1 20637538 IWKQBOMUVDNOIC-MOPGFXCFSA-N 393.443 3.546 0 40 GHAB COc1cc(OC)c(OC)cc1/C=C1\C(=O)Nc2ccc(Br)cc21 15016070 KOBPIKQEKUWRBX-MLPAPPSSSA-N 390.233 3.968 0 40 GHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2cccc(O)c2)n2ncnc2N1 8610025 RONNXEJWFVRVDZ-KRWDZBQOSA-N 381.823 3.565 0 40 GHAB COc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cc1 306130248 IZYVSAWKRKLLCE-OAQYLSRUSA-N 381.501 3.795 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2cccc(N(C)C)c2)ccc1Br 7436444 AOUDPZKTZICHHK-UHFFFAOYSA-N 391.265 3.619 0 40 GHAB CSc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 7495823 LYWZDLZGALEWHE-OAHLLOKOSA-N 383.517 3.604 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 9033504 YXRKPNZXQKICKP-UHFFFAOYSA-N 381.350 3.829 0 40 GHAB O=C(NCc1cccnc1)c1ccn(COc2c(Cl)cccc2Cl)n1 27972726 BOGAJNNTVBSKPQ-UHFFFAOYSA-N 377.231 3.551 0 40 GHAB CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 27663556 YPUZNAKLWQCVIE-HSALFYBXSA-N 389.561 3.749 0 40 GHAB COc1ccccc1[C@@H]1CCCN1C(=O)C[C@@H]1Sc2ccccc2NC1=O 68814373 IOYJWGIXLCUETE-LPHOPBHVSA-N 382.485 3.862 0 40 GHAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cnn(-c2ccccc2)c1Br 96007114 QJQFDNIRYGZXLQ-NVXWUHKLSA-N 382.261 3.921 0 40 GHAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1nnc([C@@H]2CCCO2)s1 72403428 DNPZQHTZLGSLFJ-AWEZNQCLSA-N 389.868 3.696 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2[C@H](CC)c2ccccc2)cc1 71844429 KMBPBIOUFFBYEW-FGZHOGPDSA-N 394.515 4.000 0 40 GHAB O=C(c1cccc(-c2noc(C3CC3)n2)c1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 95983015 XWHXVQSXWLLEQB-RBUKOAKNSA-N 393.418 3.701 0 40 GHAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 89558860 DKEHQLHRZJMYII-RYUDHWBXSA-N 391.459 3.505 0 40 GHAB C[C@@H](CNC(=O)c1cc(Br)ccc1F)N1CCc2ccccc2C1 25640762 PPKNEZIKYKYLIQ-ZDUSSCGKSA-N 391.284 3.765 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 409002551 ONZQGRGYAXELCS-NRFANRHFSA-N 388.467 3.983 0 40 GHAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(OC)cc2)o1 21545392 OCRVTKVRKZNXHJ-UHFFFAOYSA-N 385.445 3.875 0 40 GHAB CC(=O)c1c(C)cc(C)c(COC(=O)c2cccc(NS(C)(=O)=O)c2)c1C 24966884 QRYXDHYGXOIXKV-UHFFFAOYSA-N 389.473 3.543 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1ccccc1 306139428 SWXZWQCUEAEOKY-FCHUYYIVSA-N 375.447 3.709 0 40 GHAB O=C(CSc1n[nH]c(COc2ccccc2F)n1)Nc1ccccc1Cl 409384992 HCRZFUHMEFBMQL-UHFFFAOYSA-N 392.843 3.907 0 40 GHAB C[C@@H](NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)c1ccnc(O)c1 516732432 VZSUBHOYXYTQSR-GFCCVEGCSA-N 384.411 3.718 0 40 GHAB COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccccc2F)n1 35424977 MCCVQOSIGQEQAH-SFHVURJKSA-N 398.438 3.633 0 40 GHAB biogenic,in-vitro Cc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 32796050 OOMLPMKNJUFFAZ-LBPRGKRZSA-N 391.240 3.888 0 40 GHAB COc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2OC)cc1 72396934 CLQUAODSXZTXJL-HXUWFJFHSA-N 391.471 3.756 0 40 GHAB O=C(CCCc1cccs1)NC[C@H](c1ccccc1Cl)N1CCOCC1 40074112 LUEOKRHCCGKQJM-LJQANCHMSA-N 392.952 3.914 0 40 GHAB Cc1ccccc1CS(=O)(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1 223625344 QVYRIBZEYHWEJQ-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB CN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2N)CC1 226263562 CAQFCXQDXZUBFS-UHFFFAOYSA-N 379.291 3.580 0 40 GHAB CC(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccccc1 225678275 AVUINKNJSOMAIR-MRXNPFEDSA-N 390.530 3.666 0 40 GHAB O=C(Nc1ccccc1N1CCc2ccccc21)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 528910411 XEVNSOJCQMGYBA-WJSCTFBISA-N 395.528 3.898 0 40 GHAB Cc1cccc(N(Cc2ccc(C(=O)N[C@@H](C)C(C)C)cc2)S(C)(=O)=O)c1 225204103 URNXLNDNESDMSK-KRWDZBQOSA-N 388.533 3.736 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1OC 223097518 AOZAOCPSZLSQAA-UONOGXRCSA-N 392.455 3.627 0 40 GHAB O=C(NCc1ccccc1Cn1ccnc1)Nc1ccc2c(c1)OC(F)(F)O2 40024076 AQIHVWQIRDCWIY-UHFFFAOYSA-N 386.358 3.575 0 40 GHAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1 224112638 RTNZBFJQCKUYKC-QFIPXVFZSA-N 394.515 3.932 0 40 GHAB C[C@](O)(CNC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 77099554 WMBYJSCOPPJJQJ-KRWDZBQOSA-N 383.231 3.751 0 40 GHAB COCCn1ccc2cc(C(=O)NCCc3c[nH]c4ccc(OC)cc34)ccc21 85876049 NVUSZWIVALYOFM-UHFFFAOYSA-N 391.471 3.750 0 40 GHAB biogenic O=C(C[C@@H]1CC2(CCN(C(=O)C3CCC3)CC2)Oc2ccccc21)NCC1CC1 96079916 NYSVFHUWMBUNCL-LJQANCHMSA-N 396.531 3.630 0 40 GHAB CCC(CC)C(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccccc1O2 96242948 CUPJEERIZFJGTE-GOSISDBHSA-N 386.536 3.828 0 40 GHAB O=C(NCc1cc(F)cc2c1OCOC2)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 527720278 JCSDFVFWDZERAM-GJZGRUSLSA-N 382.382 3.554 0 40 GHAB C[C@H]1CN(Cc2ccc(C(=O)Nc3n[nH]cc3-c3ccccc3)cc2)C[C@H](C)O1 1158669794 KINZSURALIJDED-IRXDYDNUSA-N 390.487 3.938 0 40 GHAB COc1ccc(CS(C)(=O)=O)cc1NC(=O)N[C@H]1CCCC12CCCCC2 667074474 PCEICVPSDNSLDW-SFHVURJKSA-N 394.537 3.864 0 40 GHAB CO[C@](C)(CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccccc1F 96123533 VDJQAHCLSLTHPD-OAQYLSRUSA-N 385.414 3.657 0 40 GHAB CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3ccnc(F)c3)n2)cc1 58088199 GNCMSONAXKGBJJ-UHFFFAOYSA-N 398.463 3.665 0 40 GHAB COc1cc(OC)cc(N2CC[C@@H](NC(=O)NCc3cccc4occc34)C2)c1 1548449279 YOORNYUTZCOBSY-MRXNPFEDSA-N 395.459 3.528 0 40 GHAB CC(=O)Oc1ccc(NC(=O)C[C@@H]2Nc3cccc4cccc(c34)NC2=O)cc1 5018890 RKAIEMRCEIZXMZ-IBGZPJMESA-N 389.411 3.527 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(C)cc3s2)cc1OC 5710600 RPFOPJHWAJPESW-UHFFFAOYSA-N 387.486 3.749 0 40 GHAB Cc1ccc(S(=O)(=O)NCCCCCC(=O)n2cnc3ccccc32)cc1 5794724 YDVRERBZYBONJC-UHFFFAOYSA-N 385.489 3.524 0 40 GHAB OCCOc1ccc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cc1 12364254 LDVWFBOYNVPRPE-UHFFFAOYSA-N 386.398 3.549 0 40 GHAB CC(C)(C)c1ccc(CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)cc1 12984185 CGALQZQBXHYJAV-AWEZNQCLSA-N 380.535 3.637 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCC(=O)c1ccc(C)cc1 13019195 NDMOJNIZFXAAOM-UHFFFAOYSA-N 388.414 3.723 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCc3ccccc32)c1 14909356 GJUWMEBTVRCXRT-UHFFFAOYSA-N 392.480 3.715 0 40 GHAB C[C@@H](Cn1cc(Cl)cn1)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 19457288 AKJYQENUUIQUKH-GJZGRUSLSA-N 379.863 3.629 0 40 GHAB CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2Cc1cnn(C)c1C 19712934 PDTUXGZFKQWLAP-SMIHKQSGSA-N 394.563 3.705 0 40 GHAB Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1NC(=O)c1ccccc1 8334369 JDKFYVSUJVJMQM-ZHZULCJRSA-N 390.487 3.845 0 40 GHAB Cc1cc(C)cc(OCC(=O)Nc2cc(Cl)c3nc(NN)sc3c2)c1 226313183 VRCVHSUEHMSNTE-UHFFFAOYSA-N 376.869 3.870 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)c3ccc4c(c3)OCO4)o2)c1 5293972 YBEMRPFZKKKCOH-UHFFFAOYSA-N 384.413 3.661 0 40 GHAB Cc1ccc(-n2nnnc2SC[C@@H](O)COc2ccc(C(C)(C)C)cc2)cc1 7193828 FIYFJZMOWJIHLJ-SFHVURJKSA-N 398.532 3.800 0 40 GHAB Cc1ccsc1CCC(=O)N1CCC(N(C)c2ncc(Cl)cn2)CC1 1848596680 WMYLJJWFSSMBNF-UHFFFAOYSA-N 378.929 3.560 0 40 GHAB O=C(c1cc(F)ccc1F)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912691 VFZGESMHOODKIK-HXUWFJFHSA-N 379.378 3.540 0 40 GHAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)C[S@@](=O)C3)c1 4224862 NCLBEZNQDRDBHE-MUUNZHRXSA-N 395.484 3.512 0 40 GHAB Cc1ccc(C)c2sc(N3CCN(C(=O)COc4ccccc4)CC3)nc12 5182527 GADZKMIVNINFDT-UHFFFAOYSA-N 381.501 3.641 0 40 GHAB CCC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nn1 11739095 VBFIAEDSHQMQAL-UHFFFAOYSA-N 385.276 3.863 0 40 GHAB O=C(COc1ccc2c(c1)OCO2)Nc1ccccc1-c1cn2c(n1)CCCC2 575621185 VYCKEGVIEGTQKS-UHFFFAOYSA-N 391.427 3.633 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1cccc(C(=O)O)c1C 6613199 BJUIBOWUQPGYJL-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB CCOCc1ccccc1CNS(=O)(=O)c1cccc(OC(F)(F)F)c1 30518938 WUTOWOGJQMSIBN-UHFFFAOYSA-N 389.395 3.600 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCCCSc2ccccc2)C1 31354229 MPQHYGDETZXVJM-MRXNPFEDSA-N 378.538 3.932 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccco4)[C@H]3C2=O)cc1 101997268 GNDIHGXIRKDVMJ-QHAWAJNXSA-N 388.423 3.948 0 40 GHAB O=C(Nc1nccs1)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 711804 KDQNLLKGRWYQJW-SFHVURJKSA-N 393.468 3.845 0 40 GHAB Cc1cccc2cc(CN(CCc3ccccc3)C(=O)C3CC3)c3nnnn3c12 1376822 TWSRBAYQASJHHN-UHFFFAOYSA-N 385.471 3.567 0 40 GHAB COc1ccc(CNC(=O)[C@H](OC(=O)c2ccco2)c2ccc(OC)cc2)cc1 1381059 DJZLBBJELRQAAH-HXUWFJFHSA-N 395.411 3.511 0 40 GHAB CC(=O)c1c(C)cc(C)c(COC(=O)CCn2ncc(=O)c3ccccc32)c1C 32829225 ZEOOGXUEGMHLOS-UHFFFAOYSA-N 392.455 3.658 0 40 GHAB Cc1c(C(=O)O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cnn1C 21603568 RYOFBENTBOVWHG-GOSISDBHSA-N 391.471 3.503 0 40 GHAB CCN(Cc1cccc(C)c1)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 32913326 XXRJNSDZTRHCGO-DEOSSOPVSA-N 391.515 3.948 0 40 GHAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)/C=C/c1cnn(C)c1C 2769628 SPMDFYPLBVONJL-JXMROGBWSA-N 383.883 3.895 0 40 GHAB CN(C(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 10286128 VBJWVQMHYNPXTQ-UHFFFAOYSA-N 394.496 3.929 0 40 GHAB CN(c1cccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O 10434263 KIDMIIVQPYRNHZ-UHFFFAOYSA-N 388.533 3.951 0 40 GHAB COCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cc(C)ccc2C)n1 8476734 PESXYUTYOWEJLS-UHFFFAOYSA-N 384.867 3.581 0 40 GHAB CC(C)OC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccco3)sc2c1 8903809 UCUBWMWZJKWSPE-UHFFFAOYSA-N 389.458 3.581 0 40 GHAB O=C(CCn1nc(O)c2ccccc2c1=O)Nc1ccc2c(c1)Cc1ccccc1-2 22975924 WXSPHQWIEZCQKZ-UHFFFAOYSA-N 397.434 3.702 0 40 GHAB O=C(Nc1cccnc1N1CCOCC1)N[C@@H](c1ccc(Cl)cc1)C1CC1 54480938 ZDDSZBDGRYWDFU-GOSISDBHSA-N 386.883 3.844 0 40 GHAB CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)on1 9642692 YBHIXJACQPQAIW-UHFFFAOYSA-N 386.326 3.666 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1OC 51364456 NQHUASCELTXJBT-KRWDZBQOSA-N 390.439 3.862 0 40 GHAB O=C(COc1ccc(Br)cc1Cl)NCCOc1ccccc1 23117557 TWVUMZNMQTWEPD-UHFFFAOYSA-N 384.657 3.677 0 40 GHAB O=C1CCCN1CCCn1c(-c2ccccc2)cs/c1=N/c1cccnc1 106627581 ZTOVOTUDBMVDIL-XTQSDGFTSA-N 378.501 3.857 0 40 GHAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC[C@H](C(=O)Nc2ccccc2)C1 35268851 UZZLZKQXTIVEFN-GJZGRUSLSA-N 387.430 3.643 0 40 GHAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)NCc1ccccc1Cl 57369449 IQOYQUSNIFZETD-MRXNPFEDSA-N 378.925 3.699 0 40 GHAB CCCCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1CC(C)C 57426219 QLXLHQDGHRZZOI-UHFFFAOYSA-N 381.567 3.855 0 40 GHAB Cc1ccc(C(=O)C2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)c(C)c1 26640681 SZAPUILMJAEWQZ-UHFFFAOYSA-N 395.528 3.776 0 40 GHAB COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCC[C@@H]1c1ccncc1 48196308 LUMSWLYWYQTTKL-LJQANCHMSA-N 382.460 3.816 0 40 GHAB NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 20895312 KGFPSRNJCZMPOR-UHFFFAOYSA-N 377.878 3.779 0 40 GHAB CC[C@H](c1ccc(S(=O)(=O)O)cc1)[C@@H](CC)c1ccc(S(=O)(=O)O)cc1 2019602 VVNNCRNANKENRU-HDICACEKSA-N 398.502 3.867 0 40 GHAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 3312450 RDECFGABEQOGGP-QFIPXVFZSA-N 379.460 3.524 0 40 GHAB O=C(NCc1ccccc1COc1ccccc1)N(CCO)Cc1ccccc1 58137273 WKWYWSLYJGJQDL-UHFFFAOYSA-N 390.483 3.970 0 40 GHAB CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CC)NC(=O)OC(C)(C)C)c12 2149433 GRTVGIOFQLQUFJ-AWEZNQCLSA-N 389.448 3.873 0 40 GHAB biogenic Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)Cc1cccc(Cl)c1 12791774 HAMGGKGXZPBSCL-UHFFFAOYSA-N 381.863 3.984 0 40 GHAB Cc1cc(C)cc(C(=O)NCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 12759515 YNCGLZCZSVLUHD-OAHLLOKOSA-N 381.501 3.863 0 40 GHAB Cc1sc(NC(=O)CCNC(=O)c2ccco2)nc1-c1ccc(F)c(F)c1 12798367 BGKCJZVOCRNDFM-UHFFFAOYSA-N 391.399 3.748 0 40 GHAB COc1ccccc1-c1nc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cs1 58783111 AQVGLKKYJAAVNS-UHFFFAOYSA-N 393.468 3.980 0 40 GHAB Cc1cc(C(=O)CCC(=O)N2CCN(Cc3ccccc3C)CC2)c(C)s1 22226918 HNMYVDJWBCBZDC-UHFFFAOYSA-N 384.545 3.981 0 40 GHAB CNC(=O)NC(=O)[C@H](OC(=O)c1sccc1-c1ccccc1)c1ccccc1 10986751 FDGUQPMHEJLQMX-QGZVFWFLSA-N 394.452 3.769 0 40 GHAB CCCn1c(SCC(=O)N[C@H](C)COC)nc2ccc(C(F)(F)F)cc21 11021826 PGDNJUDELVARFN-LLVKDONJSA-N 389.443 3.708 0 40 GHAB Cc1ccc2nc(COc3ncnc4c(Cl)cc(Cl)cc34)cc(=O)n2c1 3413209 SDUYKGJJERYNGX-UHFFFAOYSA-N 387.226 3.832 0 40 GHAB CSc1ncc(Cl)c(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)n1 11572855 ZKZCJFVCVGOMGE-UHFFFAOYSA-N 390.848 3.932 0 40 GHAB Cc1nn(CC(=O)NCc2ccccc2C(F)(F)F)c(C)c1Br 28575685 WHAZWZMKKFCTKZ-UHFFFAOYSA-N 390.203 3.598 0 40 GHAB O=C(CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc(Cl)c1Cl 18149061 MKXFLJKGHJQOEP-TXEJJXNPSA-N 381.259 3.663 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1cccc(F)c1 20611482 FVDFJDVVNDIQMB-UHFFFAOYSA-N 379.229 3.677 0 40 GHAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 4313020 UBOGIRLQDCQNPY-HNNXBMFYSA-N 394.475 3.835 0 40 GHAB CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(F)c1 4337841 PADHBSRONOYWLR-LJQANCHMSA-N 398.409 3.568 0 40 GHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCC2)C12CCCCC2 20730742 INWUIHWCMVMSFI-FQEVSTJZSA-N 384.520 3.634 0 40 GHAB CCOc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c(OCC)c1 5464842 SZGGGYVUXYFZGA-AZUAARDMSA-N 380.444 3.654 0 40 GHAB O=C1c2ccccc2C(=O)N1CSc1nnc(Nc2ccccc2F)s1 6535838 QIKOKQUHAPKEDH-UHFFFAOYSA-N 386.433 3.767 0 40 GHAB COc1cc(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1OC 8982055 DPQMDJOUSMAVIQ-INIZCTEOSA-N 382.460 3.621 0 40 GHAB COc1ccc(CC(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc1OC 66445409 CJCNEWJMICBFHB-GOSISDBHSA-N 381.432 3.613 0 40 GHAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1NC(=O)c1ccco1 4996434 QSJFCAFIXKMDFP-UHFFFAOYSA-N 396.374 3.775 0 40 GHAB COc1cccc(NC(=O)[C@H](NCc2cn3ccccc3n2)c2ccccc2)c1 7001890 RRVZUKCCNVGQBG-JOCHJYFZSA-N 386.455 3.813 0 40 GHAB Nn1c(SCc2ccccc2Cl)nc2ccc(Br)cc2c1=O 71327689 NNHROMLZKPJGIW-UHFFFAOYSA-N 396.697 3.819 0 40 GHAB Cc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(Cl)c1)S2 9237891 XOQYIEMKVYYXSA-CVEARBPZSA-N 385.880 3.638 0 40 GHAB Cc1csc([C@](O)(CC(=O)N2CCc3sccc3[C@H]2C)C(F)(F)F)n1 67705936 LPZKTGBUGCFXMI-MEBBXXQBSA-N 390.452 3.799 0 40 GHAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3[nH]c(C)c(C(C)=O)c3C)o2)cc1 7482537 PQEDXVZVTJFZTF-ZDUSSCGKSA-N 383.404 3.811 0 40 GHAB COc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1C1CC1 7799250 WXBQSRZUVYNHAX-ZDUSSCGKSA-N 395.488 3.803 0 40 GHAB COc1cc(/C=C/C(=O)Oc2ccc(-c3nnco3)cc2)ccc1OC(F)F 7758584 AXVWPOUOVYZKJG-YCRREMRBSA-N 388.326 3.965 0 40 GHAB Cc1cc(C)cc(OCCN(C)C(=O)CCNC(=O)c2ccccc2Cl)c1 16175106 SCWUHMYNTIWMGC-UHFFFAOYSA-N 388.895 3.614 0 40 GHAB O=C(Cn1nnc(-c2ccsc2)n1)Nc1ccccc1Oc1ccccc1 7999970 LVPHWIQBEISWSD-UHFFFAOYSA-N 377.429 3.833 0 40 GHAB CS(=O)(=O)N1CCCc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc21 8297660 ILDDXQYOOYLEJU-UHFFFAOYSA-N 386.498 3.895 0 40 GHAB Cc1cc(C(=O)Nc2ccccc2N2CCOCC2)c(C)n1-c1cccnc1 84081439 QLCMSMIXMXCRHT-UHFFFAOYSA-N 376.460 3.578 0 40 GHAB CC(C)COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 23744531 HIWSJAIKJQDCNP-IBGZPJMESA-N 388.533 3.586 0 40 GHAB O=C(Cn1ccc(=O)c2sccc21)Nc1cc2c(cc1Cl)OCCCO2 84613317 HXIOHESCKHAIFI-UHFFFAOYSA-N 390.848 3.516 0 40 GHAB CC1(C)C[C@]2(NC(=O)N(Cc3c(Cl)ccc4cccnc34)C2=O)C(C)(C)O1 95419331 UDZYQLWUTWUAAW-HXUWFJFHSA-N 387.867 3.656 0 40 GHAB COC(=O)COc1ccc(NC(=O)c2ccc3ncccc3c2)c2cccnc12 95426748 AOYFQTBWVQWLDP-UHFFFAOYSA-N 387.395 3.587 0 40 GHAB Cc1ccc(S(=O)(=O)n2cc(I)c3ccccc32)cc1 89203813 IVAXCXBFLXJZHD-UHFFFAOYSA-N 397.237 3.791 0 40 GHAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)N(C)c2cccc(C)c2)c1 67246432 QODIIWMJSMADSB-UHFFFAOYSA-N 390.487 3.884 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 408564564 ZPAMPYPRSLFDHM-UHFFFAOYSA-N 375.494 3.978 0 40 GHAB COc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1-c1ccc(CO)o1 20151554 ORYMBXAURZNZIT-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB c1cc(-c2cnc3n2C[C@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)cs1 306127390 FXKGHKUYFMOZKV-OAQYLSRUSA-N 395.484 3.515 0 40 GHAB C[C@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)Nc2cccc(Cl)c2)N=C1O 36592915 FOCVYTFVPOWZSB-DYVFJYSZSA-N 385.851 3.945 0 40 GHAB COc1cccc(CNc2nc3ccccc3c3nc(-c4ccncc4)nn23)c1 6805479 UKNUHVYEWXUOAR-UHFFFAOYSA-N 382.427 3.960 0 40 GHAB Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)C3CCOCC3)CC2)n1 72362914 NOEQCRCBJQUGAM-UHFFFAOYSA-N 381.476 3.710 0 40 GHAB COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)cc1 72378484 XWXIBMPYTQEIMK-IBGZPJMESA-N 390.487 3.615 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccccc1OC 219507898 WKRFWXIBSCQOSG-ZDUSSCGKSA-N 387.461 3.623 0 40 GHAB COc1ccc([C@H]2CC(=O)N(c3cccc(OC)c3)c3c2sc(=O)n3C)cc1 66089813 YWSYBQWWPJJYJU-QGZVFWFLSA-N 396.468 3.664 0 40 GHAB CC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 219282429 CPIOMYPJUCAWEZ-QGZVFWFLSA-N 387.476 3.921 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@H]2CCN(C(=O)c3coc(C)n3)C2)n1 72384502 XAQRADNNQRZIJX-AWEZNQCLSA-N 382.395 3.643 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)ccc21 225688702 RYUQFBRIVSQLAF-UHFFFAOYSA-N 382.894 3.846 0 40 GHAB COc1cccc(-c2noc(CSCC(=O)N(C)C3CCCCC3)n2)c1 40067409 QOINPIUPGZJAOA-UHFFFAOYSA-N 375.494 3.770 0 40 GHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C(C)C)cc2)cc1Cl 224949469 NWHSAVBMFNHRMK-UHFFFAOYSA-N 397.880 3.752 0 40 GHAB CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222918584 WVIFSPSVWVCLPP-GOSISDBHSA-N 384.495 3.948 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ncccc1Cl 528351020 VINSJQPAIFSSDN-UHFFFAOYSA-N 382.689 3.876 0 40 GHAB Cc1cc(C(=O)O)ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)o1 222761380 BEPSRPRHGKDBDN-OALUTQOASA-N 393.468 3.951 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCCCC2)cc(N2C[C@@H](C)C[C@H](C)C2)n1 225888163 VDOLQEMIXSBYAB-HOTGVXAUSA-N 390.601 3.644 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1 223855934 XBISPPAMNUYKOG-UHFFFAOYSA-N 395.480 3.864 0 40 GHAB Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCNc1ccccc1 225049941 GQZOCXCGMCXFFL-LEWJYISDSA-N 391.544 3.895 0 40 GHAB Cc1cc(NC(=O)CCNC(=O)c2ccc3oc(Cl)nc3c2)ccc1F 225980094 BQGPXJWABHIVCG-UHFFFAOYSA-N 375.787 3.687 0 40 GHAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95478670 NGFQZJSKSYPYNM-JTQLQIEISA-N 389.242 3.861 0 40 GHAB COc1ccc(CNS(=O)(=O)c2cc(C)c(C)cc2Br)cc1 95945916 LPCFJRDNYHBFPW-UHFFFAOYSA-N 384.295 3.553 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H](N2Cc3ccc(Br)cc3C2=O)C1 95097794 PTIOBJPMYQSBSA-CQSZACIVSA-N 395.297 3.804 0 40 GHAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccccc2Cl)C3)cc1 96112880 BORDFKOMDHQRIF-SFHVURJKSA-N 383.879 3.901 0 40 GHAB biogenic,in-vitro Cc1nc(-c2cccnc2)sc1C(=O)N1[C@@H]2CN(C)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257232008 GIZHRUQIOMHQKX-RQXXJAGISA-N 396.560 3.991 0 40 GHAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccc(Cc2ccccc2F)nc1 257244379 ILAMEIQPGRYSFJ-GMAHTHKFSA-N 381.495 3.900 0 40 GHAB Cc1nccn1CC(=O)N1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 618238887 LEUFOIKFWLSDDD-SFHVURJKSA-N 381.398 3.714 0 40 GHAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cc(-c3cccnc3)ccc2C)C1 626547471 HNRHSMWXQDEHNK-RZUBCFFCSA-N 394.519 3.820 0 40 GHAB O=C(NCCc1ccc(C(F)(F)F)cc1)N[C@@H](CCO)c1ccccc1F 645095906 LKEZYESKCREBNK-KRWDZBQOSA-N 384.373 3.810 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(C(=O)N2c3ccccc3C[C@@H]2C)[nH]n1 665845821 ZYZJZRFZEWKVDL-GJZGRUSLSA-N 386.455 3.593 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccoc2)Cc2cccs2)cc1 90612210 NCRUEWYEUFBSSP-UHFFFAOYSA-N 390.486 3.691 0 40 GHAB O=C(CCc1ccon1)N1CCCC[C@@H]1Cc1cccc(Br)c1 616386713 ZTFNEWDOKJTNNI-QGZVFWFLSA-N 377.282 3.994 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1Cc2cccn2C[C@H](OCc2ccncc2)C1 575404957 GACSIDSNXKUSAD-FQEVSTJZSA-N 386.455 3.606 0 40 GHAB Cn1c([C@H]2CCCCN2Cc2ccnc(N3CCCC3)n2)nc2ccccc21 72348139 SHPSCSNZSMXQEW-HXUWFJFHSA-N 376.508 3.691 0 40 GHAB CCc1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OC 11613737 PWASTGRIFSRABQ-UHFFFAOYSA-N 385.869 3.729 0 40 GHAB CCCCCCn1c(S[C@@H](C)C(=O)NC(=O)NCC)nc2ccccc21 12542957 FEUJLAJMTVGSPA-AWEZNQCLSA-N 376.526 3.943 0 40 GHAB CN(C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccccc1 13667604 JEYMUSPHZNRUHE-UHFFFAOYSA-N 398.459 3.684 0 40 GHAB O=S(=O)(NCC1(c2ccccc2)CCOCC1)c1ccc2ccccc2c1 16971853 AYKRQNCTAKVAOO-UHFFFAOYSA-N 381.497 3.867 0 40 GHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)C2CC2)C1 19212782 GCEOCKMGVOAYGG-RUZDIDTESA-N 390.527 3.969 0 40 GHAB O=C(Cc1ccc(Cl)cc1Cl)N1CCC(O)(c2cccnc2F)CC1 19293172 ZSOWPAZZOWABLM-UHFFFAOYSA-N 383.250 3.580 0 40 GHAB O=C(c1ccco1)N1CCC(c2nc(NC3CC3)ncc2-c2ccncc2)CC1 19341981 JXKAVGHABZSMFL-UHFFFAOYSA-N 389.459 3.726 0 40 GHAB COc1ccc(CC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cc1OC 19560377 RSSSSVRUCZTZAY-UHFFFAOYSA-N 379.460 3.529 0 40 GHAB COc1cccc(-c2noc(CCC(=O)N3CCc4cc(Cl)ccc43)n2)c1 19656097 YJISZFXPWWWDDF-UHFFFAOYSA-N 383.835 3.921 0 40 GHAB CCc1nnc2n1C[C@@H](c1ccc(NC(=O)c3cccc(OC)c3)cc1)CC2 19698993 LFFWHVGCVROBOS-KRWDZBQOSA-N 376.460 3.831 0 40 GHAB CCc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 165726509 PYZSCBIGNBCTDN-LRGYGIHKSA-N 386.451 3.813 0 40 GHAB COc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1Br 6275128 BYQJAUKRUIAYIR-JXMROGBWSA-N 391.290 3.984 0 40 GHAB COc1ccc(-n2ccc(C(=O)Nc3ncc(Br)cc3C)n2)cc1 156477648 FZTIDFLBKZVZBM-UHFFFAOYSA-N 387.237 3.599 0 40 GHAB COc1ccc(OCC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)cc1 12087803 CXYHLYQSYWXOGL-UHFFFAOYSA-N 391.471 3.611 0 40 GHAB O=C(CCc1ccccc1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888866513 XVVUBPFSRVREHW-IAGOWNOFSA-N 389.421 3.628 0 40 GHAB O=C([C@H]1CCCO1)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1888906728 BCUYGLJWNOLZAY-OAQYLSRUSA-N 388.471 3.577 0 40 GHAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc2cccc(F)c2[nH]1 1848353218 DUNLVKXLDJOALF-TUXJCPBXSA-N 383.467 3.701 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cnc3ccccc3c2)cc1 25999481 XLWFFEVICKLFMZ-UHFFFAOYSA-N 391.456 3.803 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)N(C)Cc3ccc(OC(F)F)cc3)CC2=O)cc1 27597442 HGGBENIZZZNEQQ-INIZCTEOSA-N 388.414 3.608 0 40 GHAB CCc1nccn1CC1CN(c2nc3ccc(Br)cc3s2)C1 2087148941 WTOJUQGNKUPKMX-UHFFFAOYSA-N 377.311 3.954 0 40 GHAB CC(C)(C)C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1 5375294 LKDYZRDYXNZOEE-UHFFFAOYSA-N 378.519 3.874 0 40 GHAB CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 8840921 VQPSVRYRFHNGBN-UHFFFAOYSA-N 390.480 3.952 0 40 GHAB O=C(CCc1csc(NC(=O)c2ccccc2)n1)NCCc1ccccc1 11835022 PBOCUURATSMXGS-UHFFFAOYSA-N 379.485 3.687 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccc(C)c(C)c3)n2)cc1 13796292 BSGVWUDOWIWPNT-UHFFFAOYSA-N 375.472 3.656 0 40 GHAB Cc1noc(C)c1CC(=O)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 575615393 OMNMPKSLPUGJFS-UHFFFAOYSA-N 393.491 3.564 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccc(Cl)cc2Cl)c2ccccc21 4987819 ZEVVYAAYRPFJAM-IBGZPJMESA-N 394.254 3.586 0 40 GHAB COc1ccc2[nH]c(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2c1 96231197 IUOAHNPUWSQUMO-UHFFFAOYSA-N 384.863 3.954 0 40 GHAB CC(C)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 40049986 FDYHDXMRZJDVSH-RDTXWAMCSA-N 394.924 3.520 0 40 GHAB Cc1c(O)ccc2c(CN3CCN(Cc4cccc(Cl)c4)CC3)cc(=O)oc12 40162238 GQQVOIPNYNIQMA-UHFFFAOYSA-N 398.890 3.778 0 40 GHAB CC(C)C[C@H](CNC(=O)Nc1ccccc1SC(F)F)N1CCOCC1 40103926 LKXHTVMYBBXEPK-CQSZACIVSA-N 387.496 3.870 0 40 GHAB O=C(Nc1ccnn1Cc1ccccc1)c1nc(N2CCCCC2)ncc1Cl 40141387 RNQUIYGKXDQSQG-UHFFFAOYSA-N 396.882 3.617 0 40 GHAB CCN(CC)C(=O)COc1ccc(NC(=O)Cc2ccc(F)cc2)cc1Cl 31955812 WMORCVQUEUPIHR-UHFFFAOYSA-N 392.858 3.908 0 40 GHAB COCCNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20745103 XEBBIAFQPZEQSC-OAQYLSRUSA-N 392.499 3.896 0 40 GHAB CCn1c(S[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc21 21475360 JDTYTZAQJIXAJE-GFCCVEGCSA-N 381.457 3.751 0 40 GHAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(OC(F)F)cc2)C(C)C)c1 2652219 NDQJZOIJYAKDJI-KRWDZBQOSA-N 376.403 3.990 0 40 GHAB COCCn1c(SCC(=O)c2ccc(C)cc2C)nc2ccccc2c1=O 2634115 CGBVDFVJNGHLKC-UHFFFAOYSA-N 382.485 3.635 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2C[C@H]2CCCO2)c1 905359 GSPVKPVHKNBBJZ-MRXNPFEDSA-N 398.488 3.756 0 40 GHAB CC[C@H](CNC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C)c1ccccc1 32817973 GUWOBGNPZPASAT-QGZVFWFLSA-N 394.519 3.836 0 40 GHAB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C 2147080 FTKXCQRVAYWDQV-OAHLLOKOSA-N 389.448 3.927 0 40 GHAB biogenic O=C(NC1=NCCS1)c1ccccc1OCc1cccc(Br)c1 32996141 KERFJIAJMIJLDT-UHFFFAOYSA-N 391.290 3.861 0 40 GHAB CC(=O)N[C@@H](CC(=O)OCc1cc(=O)oc2cc(C)c(C)cc12)c1ccccc1 4220041 KMRZAFGBONAUBW-FQEVSTJZSA-N 393.439 3.721 0 40 GHAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1 2703946 RCYTYLWHSFFNAY-OAQYLSRUSA-N 398.418 3.942 0 40 GHAB CC(C)C[C@H](c1nnnn1C(C)C)N1CCN(c2nc3ccccc3s2)CC1 57670198 SGOWZXSEGSBGHL-QGZVFWFLSA-N 399.568 3.773 0 40 GHAB CCCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 2801914 ATSXTPFQAGOKOC-PXNSSMCTSA-N 380.444 3.654 0 40 GHAB biogenic,in-vitro CSc1ccccc1NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 8480268 HNLTWWDWISZBSB-UHFFFAOYSA-N 392.546 3.902 0 40 GHAB C[C@]1(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)CC1(Cl)Cl 22700161 RYFVAZIGYCLGGH-CQSZACIVSA-N 396.240 3.723 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1 827610 AIWITMKTLUNCHD-UHFFFAOYSA-N 388.876 3.898 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(C)c4)ccn3n2)cc1 12414414 GYIDLPHWQBNZRE-UHFFFAOYSA-N 386.455 3.727 0 40 GHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 57625504 YBQCLRLSQSMPON-UHFFFAOYSA-N 378.428 3.790 0 40 GHAB CCOC(=O)c1c(C)oc2nc(CN3CC=C(c4ccccc4)CC3)nc(O)c12 23761909 GWPOZFBPJYLYAW-UHFFFAOYSA-N 393.443 3.703 0 40 GHAB Cc1nc(NC(=O)COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)c(Cl)cc1Cl 102182145 SNEYVVWRKABFBX-GHMZBOCLSA-N 399.274 3.574 0 40 GHAB O=C(Nc1ccccc1S(=O)(=O)N1CCCC1)c1cccc(C(F)(F)F)c1 24753188 XGQGLPFWMXBFBU-UHFFFAOYSA-N 398.406 3.742 0 40 GHAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=S)Nc1ccccc1Cl)C1CC1 100427078 HMKHZXBUFKBOTQ-HUUCEWRRSA-N 377.941 3.949 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)[nH]1 100647611 XIHZFXUSINJCRW-GYSYKLTISA-N 392.912 3.531 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCCCCC(=O)O)c(C)c3cc12 2098213 XUTSQALHFXZMCW-UHFFFAOYSA-N 399.443 3.768 0 40 GHAB biogenic COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCc2ccccc2C1 62001370 QFKSEMXNVKATBZ-UHFFFAOYSA-N 377.440 3.628 0 40 GHAB biogenic CCc1cc(=O)n(CC(=O)Nc2cc(C)ccc2OC)c(-c2ccc(F)cc2)n1 57508795 BPWDFPOBINAQQK-UHFFFAOYSA-N 395.434 3.568 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2ccc3[nH]cnc3c2)N2CCCCC2)cc1 12603136 RILYDGJDVWDLBZ-OAQYLSRUSA-N 378.476 3.529 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 2188090 QZTWLVIQIZCBRN-INIZCTEOSA-N 398.434 3.774 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(Cn4cccn4)cc3)cc2NC1=O 58471989 WWNLEVNIIJEQDA-ZDUSSCGKSA-N 378.457 3.616 0 40 GHAB O=C(Nc1ccc(CNS(=O)(=O)c2cccc(Cl)c2Cl)cc1)C1CC1 10670159 GTIXLNQZKNGIDM-UHFFFAOYSA-N 399.299 3.820 0 40 GHAB CCCn1c(SCC(=O)Nc2ccccc2C(C)=O)nc2ccccc2c1=O 3319218 NLNLBQCRHVACRJ-UHFFFAOYSA-N 395.484 3.740 0 40 GHAB CC(C)C(=O)Nc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1 12780101 DJKCOHLAFGJOCA-UHFFFAOYSA-N 381.432 3.608 0 40 GHAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1ccc(Cl)c(Cl)c1 12770282 GISLGOWLAYSSNS-UHFFFAOYSA-N 384.244 3.900 0 40 GHAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1 45807001 OPTDXBXFSUITQJ-CYBMUJFWSA-N 380.897 3.989 0 40 GHAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(SC)cc1 2502005 YOCKBBOYDHOQMI-MRXNPFEDSA-N 376.503 3.622 0 40 GHAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2ccc(F)cc2)CC1 12898312 VTGJQOFGSLNOHO-UHFFFAOYSA-N 384.495 3.763 0 40 GHAB CC(C)c1ccc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccncc3)CC2)cc1 12851352 KEAYUPALXKKODX-QGZVFWFLSA-N 379.504 3.935 0 40 GHAB CCCSc1ncc(Cl)c(C(=O)NCC(=O)Nc2cccc(Cl)c2)n1 46087003 QVCULUGWESSLRF-UHFFFAOYSA-N 399.303 3.654 0 40 GHAB O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 12905626 SDHPXAWLKBPJGX-RNCFNFMXSA-N 392.830 3.944 0 40 GHAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(-c2ccccc2)c2ccccc2n1 12910078 GJQRFWFMAYQVSE-JOCHJYFZSA-N 394.478 3.709 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 12979286 ZEUXQZXGALDFTR-UHFFFAOYSA-N 396.451 3.575 0 40 GHAB Cn1ccnc1[C@H](NC(=O)CSc1ccc2ccccc2n1)c1ccccc1 8719847 IVPNDWOFRCRKDT-OAQYLSRUSA-N 388.496 3.966 0 40 GHAB CCCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 13011108 ZXZFFSHAJLBMLS-UHFFFAOYSA-N 380.448 3.590 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-n2cnc3ccccc32)cc1 8707720 PDFHLOKMMIGECZ-IBGZPJMESA-N 399.450 3.938 0 40 GHAB CCOC(=O)[C@@H](C)Sc1nnc(C(F)(F)F)n1Cc1ccc(F)cc1 4107129 ICCOVKOZAUGTHC-SECBINFHSA-N 377.363 3.528 0 40 GHAB CCC[C@H]1CCc2c(sc(NC(=O)Cc3ccc(OC)cc3)c2C(N)=O)C1 6046015 IPBDKFRTOOIFBR-ZDUSSCGKSA-N 386.517 3.942 0 40 GHAB COc1ccc(CCc2nnc3sc(Cc4ccccc4)nn23)cc1OC 13730446 GBQWELGWRMALPL-UHFFFAOYSA-N 380.473 3.579 0 40 GHAB CCc1ccc([C@H](NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C(C)C)cc1 39981891 OOFPVVKSCLDKER-HSZRJFAPSA-N 389.499 3.981 0 40 GHAB CCCc1sc2nc(SCC(=O)OC)n(-c3ccccc3)c(=O)c2c1C 409113392 APPXNDLYVJUSBX-UHFFFAOYSA-N 388.514 3.973 0 40 GHAB CCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c3c(c12)O[C@H](C(C)(C)O)C3 14586045 TVYLJAPSHFFCMT-HNNXBMFYSA-N 388.460 3.754 0 40 GHAB endogenous,in-man O=C1C(=O)N(Cc2cc3c(cc2Cl)OCO3)c2ccc(Br)cc21 6756472 AGZQIUVIRWDFNI-UHFFFAOYSA-N 394.608 3.561 0 40 GHAB O=C(CCc1nc(-c2cccnc2)no1)NCCc1c[nH]c2ccc(Cl)cc12 9420181 DMULXZDYFAJJLU-UHFFFAOYSA-N 395.850 3.558 0 40 GHAB O=C(CSc1nnnn1C1CCCCC1)c1ccc(Br)cc1 4866622 PEYHFNJGANOIEO-UHFFFAOYSA-N 381.299 3.916 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)COc2ccc(C)cc2)cc1OCC 6811483 MXAHICSWKDNGOE-UHFFFAOYSA-N 397.431 3.860 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2cc(-c3cccs3)on2)c1 19357545 GUBMIMJJKZCDAL-UHFFFAOYSA-N 399.428 3.677 0 40 GHAB COC(=O)CCSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C 7032975 LJCIYOHUDISOIR-UHFFFAOYSA-N 388.880 3.946 0 40 GHAB CCc1ccc(CN(C)C(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)cc1 67526848 WRNSFTWBUFNAMO-UHFFFAOYSA-N 396.878 3.685 0 40 GHAB C[C@@H](OC(=O)c1cccc(N2CCCC2=O)c1)c1nnc(-c2ccccc2)o1 7622969 VLBNFFVGRSHMOZ-CQSZACIVSA-N 377.400 3.781 0 40 GHAB COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2OC)c1 9226175 YMNVBPSYRPZXIF-UHFFFAOYSA-N 390.439 3.886 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 16308050 VQPSMCPLVKYDBI-GOSISDBHSA-N 393.443 3.517 0 40 GHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 16779023 RNCDMZSZMUYXCR-CQSZACIVSA-N 383.922 3.955 0 40 GHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(=O)[nH]c2ccccc12 8425104 GIYWCMYOCSOWSE-UHFFFAOYSA-N 399.454 3.765 0 40 GHAB CC(C)(C)c1cc(NS(=O)(=O)c2cc3c(cc2Cl)OCCCO3)on1 72301874 UPLLTNONGYNLAR-UHFFFAOYSA-N 386.857 3.588 0 40 GHAB CC(=O)Nc1ccc(C2=N/C(=C/C3=Cc4cc(Cl)ccc4OC3)C(=O)O2)cc1 96935675 QZCACSBAMNXMDN-GIJQJNRQSA-N 394.814 3.962 0 40 GHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 97029965 RMFHKUKSDVFYMO-CALCHBBNSA-N 380.410 3.803 0 40 GHAB O=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1cc(F)c(F)c(F)c1F 84519345 BZCVWWOPNHHDHV-KRWDZBQOSA-N 381.325 3.764 0 40 GHAB COc1cccc(CC(=O)O[C@@H](C)c2nc3ncc(Br)cc3[nH]2)c1 95960077 AQKXSPBGVAWDDD-JTQLQIEISA-N 390.237 3.576 0 40 GHAB CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1 25139336 GTRXWHAOABABFQ-UHFFFAOYSA-N 387.911 3.514 0 40 GHAB CN(Cc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408705113 YHDBIWSUAUCEQO-UHFFFAOYSA-N 394.496 3.787 0 40 GHAB CCCCn1nc(C)c2c(C(=O)NCCCn3nccc3C)cc(C3CC3)nc21 36616379 AEXDPIGAYMQUDD-UHFFFAOYSA-N 394.523 3.742 0 40 GHAB CC1CCN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 408708226 OSISYYIXLLMUSN-GOSISDBHSA-N 377.488 3.915 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1 38862779 YYSHAYCVNAXNRY-MRXNPFEDSA-N 376.460 3.712 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@H]2CCCCN2C(=O)c2cnccn2)n1 72383778 MZZUWCJBGQIPCD-QGZVFWFLSA-N 393.422 3.874 0 40 GHAB COC(=O)C[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 38231251 NQIXPBJBTPYBQH-JOCHJYFZSA-N 376.452 3.919 0 40 GHAB COC(=O)C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 79041973 NQIXPBJBTPYBQH-QFIPXVFZSA-N 376.452 3.919 0 40 GHAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cccnc2N(C)C)C1 72352304 NDRZAQCYYMKJBU-OAHLLOKOSA-N 394.544 3.711 0 40 GHAB COC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)c1C 216327747 MMCBQXWZXKDDLS-ZDUSSCGKSA-N 389.473 3.918 0 40 GHAB Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1F 47325044 GWBMIXNMXHFKRG-UHFFFAOYSA-N 375.831 3.777 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 225750263 SQSROBXRLOLVRB-GCJKJVERSA-N 396.531 3.960 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C 225184230 MECDVHGCQUFEEK-UHFFFAOYSA-N 391.533 3.967 0 40 GHAB C[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1nc(C2CC2)no1 48340827 JLDMNOQGWDDBJE-MRVPVSSYSA-N 398.370 3.675 0 40 GHAB COc1ccc(CCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1OC 225855724 KUPRZYCATKBTCC-INIZCTEOSA-N 383.488 3.709 0 40 GHAB CCOC(=O)c1cn(Cc2ccc(OC)cc2OC)c2c1C(=O)CC(C)(C)C2 45796225 LHNBJYBHMSUKRZ-UHFFFAOYSA-N 385.460 3.885 0 40 GHAB NC(=O)c1cc(Br)ccc1OCc1ccc(Br)cc1 226329364 XZWDLZJQBBJKQF-UHFFFAOYSA-N 385.055 3.890 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)C1(c2ccccc2)CCOCC1 224702333 OKHOWDNYKZRVBG-UHFFFAOYSA-N 397.500 3.895 0 40 GHAB COc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 225772126 ZKRAEXDRVUJUKG-UHFFFAOYSA-N 385.533 3.655 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 225002642 QVTSBWPHHYBJFB-MSOLQXFVSA-N 382.504 3.570 0 40 GHAB COc1ccc(CN(C(C)=O)[C@@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1 223261342 LCSGBSCTFDPCBS-QHCPKHFHSA-N 396.531 3.817 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)c(Cl)c1 44883575 WAFNSTMVTQINGU-GFCCVEGCSA-N 377.824 3.931 0 40 GHAB Cc1nc(NCC2CC2)nc2c1COC[C@@]21CCN(Cc2ccc(Cl)cc2)C1 96244521 NKRCMKABPPZXRA-QFIPXVFZSA-N 398.938 3.934 0 40 GHAB c1coc(CN2Cc3ccccc3C3(CCN(CCN4CCCC4)CC3)C2)c1 96242486 WOUCIKSATDISDK-UHFFFAOYSA-N 379.548 3.725 0 40 GHAB C[C@@H](NC(=O)NC1CCCCC1)c1onc(-c2ccc(F)cc2)c1C(=O)O 96297079 CDPSDUSEZGGFJR-LLVKDONJSA-N 375.400 3.872 0 40 GHAB biogenic,in-vitro CN(Cc1ccccc1)[C@@H]1COC2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1 96220983 QOTMFDATKSQDMX-NRFANRHFSA-N 394.515 3.671 0 40 GHAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(Cc2ccccc2F)CC1 257287216 POZWBZPGZKMEFM-UHFFFAOYSA-N 398.507 3.912 0 40 GHAB COC(=O)C1CCC(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 589699899 WNGAYAPHEDEEKT-UHFFFAOYSA-N 396.365 3.822 0 40 GHAB CCc1ccc([C@@H]2CN(C(=O)NC3CCC(C)(N4CCC4)CC3)CCO2)cc1 1638809058 GJGPZFVUWSCYAO-QKDPSFTKSA-N 385.552 3.739 0 40 GHAB O=C(Cn1c(=O)c(-c2ccccc2)nc2ccccc21)NCc1ccccc1F 90610108 HTCDEJPBBCPZQF-UHFFFAOYSA-N 387.414 3.519 0 40 GHAB COc1ccc(CS(C)(=O)=O)cc1NC(=O)N[C@@H]1CCCC12CCCCC2 667074473 PCEICVPSDNSLDW-GOSISDBHSA-N 394.537 3.864 0 40 GHAB CN1CCN([C@H]2CC[C@@H](NC(=O)C3CCC(c4ccccc4)CC3)CC2)CC1 680949392 XLDLYPDBKHQLQG-MYNGYRLFSA-N 383.580 3.635 0 40 GHAB CO[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C)s1 96104805 WSYLBENLPNYJCR-ZDUSSCGKSA-N 379.425 3.741 0 40 GHAB O=C(CN[C@H](c1ccccc1)c1cccs1)N1CCN(c2ccccc2)CC1 57383159 IGQHNABZTFBXGO-HSZRJFAPSA-N 391.540 3.776 0 40 GHAB CCOC(=O)CC1(CNC(=O)c2ccc(OC)c(OC(F)F)c2)CCCCC1 95443729 YLBKXUHKAMUVJG-UHFFFAOYSA-N 399.434 3.930 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3ccccc3Cl)C2)CN1c1cccc(F)c1 1615118814 DTNPRFQPRLLHOG-OAQYLSRUSA-N 388.870 3.877 0 40 GHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(OCC)cc1 5100361 OKFNIEQSAOMKGS-UHFFFAOYSA-N 381.436 3.598 0 40 GHAB COc1ccc(C2(C(=O)N[C@H](C)c3nc(-c4cccnc4)n[nH]3)CCCC2)cc1 12114763 YBPKBWSYUFDTGK-OAHLLOKOSA-N 391.475 3.565 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 12623126 ZOEXEABLPHSTAP-KYNGSXCRSA-N 375.465 3.806 0 40 GHAB CN(CCC(=O)Nc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl 12767677 JQOHNWIZEJPXAA-UHFFFAOYSA-N 380.275 3.893 0 40 GHAB CN(c1ccc2sc(C(=O)Nc3c(F)cccc3F)cc2c1)S(C)(=O)=O 13609758 CBABOKCNEYIWRQ-UHFFFAOYSA-N 396.440 3.828 0 40 GHAB Cc1cc(C(=O)N(C[C@H]2CCCO2)C2CCN(C)CC2)c2cccc(C)c2n1 19236710 QHANOPUWDFPWRQ-LJQANCHMSA-N 381.520 3.567 0 40 GHAB Cc1ccccc1-c1cccc(C[C@@H]2CN(C(=O)C3CCCC3)CCNC2=O)c1 19237452 MRVRUZKKXLNFDF-JOCHJYFZSA-N 390.527 3.969 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)cc2N1 19574908 RWYRVQXWHZYZKJ-HLPPOEQASA-N 382.430 3.863 0 40 GHAB COc1ccc(Cc2nn3c(Cc4ccccc4F)nnc3s2)cc1OC 19910052 REGYYFXYHYUJQM-UHFFFAOYSA-N 384.436 3.524 0 40 GHAB CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC 5367231 NIIJJISQEZFEFE-KONSVYDKSA-N 389.492 3.734 0 40 GHAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1O 6325085 ZBRLVDCRSMDSPF-RGVLZGJSSA-N 386.249 3.699 0 40 GHAB O=C(Nc1cnc(C2CC2)nc1)c1cnn(-c2cccc(Br)c2)c1 106650806 PHNNVWNSEMDRPH-UHFFFAOYSA-N 384.237 3.555 0 40 GHAB O=c1[nH]cc(-c2ccc(F)cc2)cc1CNc1cc(F)ccc1N1CCOCC1 12670635 ZVMFNBAHJFNIBB-UHFFFAOYSA-N 397.425 3.769 0 40 GHAB CCOc1ccccc1C(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(OC)cc1)CN2C 19520115 OUASHJOKYKLJLE-MQSCRBSSSA-N 394.515 3.796 0 40 GHAB COc1cc(OC)cc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 6790000 SWWDZVDZKCCXAI-NRFANRHFSA-N 385.460 3.992 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3cccc(F)c3)CC2)CN1Cc1ccccc1 1848352572 IMLXIGQQPLHDIT-HSZRJFAPSA-N 382.479 3.609 0 40 GHAB O=C(NCCCN1CCO[C@H](c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 36699930 CFRYKCIYIFSPJA-GAWOJFTKSA-N 382.548 3.783 0 40 GHAB COc1ccc(OC)c(N2C[C@@](O)(c3ccc(C)cc3)[N+]3=C2CCCCC3)c1 2974528 GBEAGRRMEUGYOI-HSZRJFAPSA-N 381.496 3.663 0 40 GHAB CNC(=O)c1c(NC(=O)CCSc2ccc(OC)cc2)sc(C)c1C 10219637 TWJLMJQCIINUMQ-UHFFFAOYSA-N 378.519 3.854 0 40 GHAB COc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(C)cc3)n2)cc1OC 21657887 VXFMFWHDAOCAMB-UHFFFAOYSA-N 393.443 3.795 0 40 GHAB CC(C)C(=O)N1CCCc2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc21 22504408 HUJRBGPXFGTSGQ-UHFFFAOYSA-N 381.432 3.995 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(C)cc3C)ccc21 35588132 GRQDXMPJBRSXQS-UHFFFAOYSA-N 386.561 3.987 0 40 GHAB O=S(=O)(Cc1noc2ccccc12)NCc1cccnc1-c1cccs1 225763485 XNYSKFAVAONRQM-UHFFFAOYSA-N 385.470 3.571 0 40 GHAB COC(=O)c1ccc(C(=O)NCc2ccc([C@H](O)c3ccsc3)s2)cc1 207965394 ULMJHJXVECUFPB-QGZVFWFLSA-N 387.482 3.608 0 40 GHAB CCOC(=O)Cn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 7543930 ZMHSHQXAETWJLG-KRWDZBQOSA-N 391.471 3.737 0 40 GHAB Cc1nnc(N2CCCN(c3nnc(C)c4ccccc34)CC2)c2ccccc12 26701168 JWESEBFHCXHHPQ-UHFFFAOYSA-N 384.487 3.907 0 40 GHAB COc1cc(OC)cc(-c2nnc3sc(-c4cc(F)c(F)c(F)c4)nn23)c1 40286703 QWXCPUVPNIVMRM-UHFFFAOYSA-N 392.362 3.954 0 40 GHAB COc1cccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1 20717737 IFYLLUUVXLFYEP-UHFFFAOYSA-N 395.434 3.619 0 40 GHAB CC[C@@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1ccc(F)cc1F 32579504 HSXAKUXDEYOAHD-OAHLLOKOSA-N 389.431 3.665 0 40 GHAB CCOc1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3nc(N)nc(O)c32)cc1 101916064 KVPHCJRMTGESDF-HNNXBMFYSA-N 386.411 3.712 0 40 GHAB CCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)C12CC3CC(CC(C3)C1)C2 21336667 OMJKADDMGXFPIQ-UHFFFAOYSA-N 380.488 3.771 0 40 GHAB COc1ccc(-c2csc(NC(=O)CN3CCC[C@@H]3c3cccn3C)n2)cc1 8327354 IOAJZWZTZKZNAP-LJQANCHMSA-N 396.516 3.933 0 40 GHAB Cc1cc(C)c(NC(=O)CCCOC(=O)[C@H]2COc3ccccc3O2)c(C)c1 2657121 BZRULZQOCOTDEB-LJQANCHMSA-N 383.444 3.714 0 40 GHAB CN1C(=O)[C@H](OC(=O)c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C1=O 826892 DNHABDFDQDEBMP-HNNXBMFYSA-N 379.199 3.575 0 40 GHAB C[C@@H](c1ccccc1)N(C)C(=O)c1cn(-c2cccc(Br)c2)nn1 32816276 ITLZZBYSCOBLJP-ZDUSSCGKSA-N 385.265 3.863 0 40 GHAB CCCCNC(=O)C1CCN([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 29927129 JDGYJMVQEDTKPL-KRWDZBQOSA-N 381.520 3.795 0 40 GHAB CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2ccn(C)c2)cc1 79013673 YDZBYMKLUPQGFD-HNNXBMFYSA-N 383.521 3.699 0 40 GHAB Cc1ccc(OCCNC(=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)cc1 79104370 WJIPGZHGDIKFRP-UHFFFAOYSA-N 390.524 3.821 0 40 GHAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@@H](C)CNc1ccccc1 79110568 GSDILGFXESXVPG-KRWDZBQOSA-N 380.492 3.853 0 40 GHAB COc1ccc(CCn2cc(C(=O)Nc3cccnc3)c3ccccc3c2=O)cc1 79485190 VNXJMRXZAMVCGH-UHFFFAOYSA-N 399.450 3.900 0 40 GHAB C[C@@H](Sc1ccc(C(=O)N2CCCC2)cn1)C(=O)Nc1ccc(N(C)C)cc1 32907195 MJINUXAEVUYLPA-OAHLLOKOSA-N 398.532 3.503 0 40 GHAB Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)CC2)cc1 4544726 YNAYHSXPRXUTNL-NHYFXGKHSA-N 380.488 3.523 0 40 GHAB CCc1ccc(NC(=S)N2CCC(NC(=O)c3cccc(F)c3)CC2)cc1 4857589 NHJDIBSDMOJXOZ-UHFFFAOYSA-N 385.508 3.979 0 40 GHAB C[C@@H]1Cc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2N1S(C)(=O)=O 10324194 PTYZBMLDHCPHNH-SNVBAGLBSA-N 399.299 3.956 0 40 GHAB O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 8871548 KUMBKGJQFRFXJV-UHFFFAOYSA-N 389.367 3.578 0 40 GHAB CN1CCN(Cn2nc(-c3ccccc3F)n(C)c2=S)[C@@H](c2ccccc2)C1 47404697 XSUHGLPSZNXDPX-LJQANCHMSA-N 397.523 3.703 0 40 GHAB COc1ccc(Cc2cnc(NC(=O)COc3ccccc3OC)s2)cc1 848372 WZQSTCQNKGYLRT-UHFFFAOYSA-N 384.457 3.769 0 40 GHAB Cc1cccc(C(=O)OCc2nc(-c3cccc(Br)c3)no2)c1N 22988339 POMLSQLCJDDLCS-UHFFFAOYSA-N 388.221 3.747 0 40 GHAB O=C(Cn1ccccc1=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 58414372 MYLFIDVJQSXWJK-FQEVSTJZSA-N 397.272 3.517 0 40 GHAB COc1ccc(Cc2cc(O)n3nc(-c4ccc(OC)c(OC)c4)cc3n2)cc1 100776132 LDUUNXWQHJDBIR-UHFFFAOYSA-N 391.427 3.719 0 40 GHAB COc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)c(C(F)(F)F)c1 42792722 KYDOFOMGLBZHAW-UHFFFAOYSA-N 395.380 3.583 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)sc2c1 55184041 ZYYHCWWXTSADDY-MRXNPFEDSA-N 380.429 3.711 0 40 GHAB Cc1ccc(S(=O)(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 12569389 QXASDCVWMIUSCI-UHFFFAOYSA-N 387.501 3.557 0 40 GHAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCc2sccc2[C@@H]1c1cccs1 107084327 GJIDXFIGYOKGMM-HBUWYVDXSA-N 384.526 3.666 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nncn1-c1ccccc1 3292681 FEKHJOIWMCMDJP-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nc2ccsc2c1=O 26099772 DSFZRTVEOPWTKE-UHFFFAOYSA-N 399.419 3.745 0 40 GHAB Nn1c(SCc2ccccc2)nnc(Nc2cc(Cl)ccc2Cl)c1=O 28535684 MRPMUKCSZCONLO-UHFFFAOYSA-N 394.287 3.695 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)CSc2ccc(F)c(F)c2)CC1 12607362 IBQXWZYMSODZLG-UHFFFAOYSA-N 391.487 3.838 0 40 GHAB O=C1N[C@H](CC(=O)N2[C@@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)c2ccccc21 100166407 YHHFIEZMHWSCPC-DBXWQHBBSA-N 378.447 3.938 0 40 GHAB COCCn1c(C)cc(C(=O)COC(=O)/C=C/c2cccc(Cl)c2)c1C 3393838 XBYZJYCRRIFOBR-BQYQJAHWSA-N 375.852 3.844 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(N2CCOCC2)s1 58357842 RPLGMYBZALHZAY-GFCCVEGCSA-N 388.518 3.528 0 40 GHAB Cc1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)nn1-c1ccc(F)cc1 12771145 FUHOPJYKTFSZII-UHFFFAOYSA-N 394.328 3.543 0 40 GHAB CC(C)[C@@H](NC(=O)c1c(Cl)nc2ccccn12)c1ccc2c(c1)OCCO2 45057316 QZROQNYPZJWWJI-QGZVFWFLSA-N 385.851 3.886 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)n1 61109709 XNGHWQGTPXIYGK-UHFFFAOYSA-N 392.478 3.650 0 40 GHAB COc1ccc2cnn(CCOc3cc(C)ccc3C(C)C)c(=O)c2c1OC 2368071 VUFRPNGGYJFQEY-UHFFFAOYSA-N 382.460 3.925 0 40 GHAB O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1SC[C@H]1CCCO1 48331558 DBVBUJOLESUGNQ-CVEARBPZSA-N 385.485 3.528 0 40 GHAB Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H](C(=O)Nc4nccs4)C3)cc2c1 48363816 IBUBDXGEBJWNKX-OAHLLOKOSA-N 394.500 3.799 0 40 GHAB COC(=O)C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 12878658 WKMSHJMLQDPVSM-NRFANRHFSA-N 380.488 3.707 0 40 GHAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NCCc1cccc2cccnc12 12894485 FBELLPZZOFQDBY-HXUWFJFHSA-N 381.520 3.615 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)N2C(=O)[C@@H](C)SC2=N1 2463247 BVYVNTRHSOZEMA-IAQYHMDHSA-N 378.881 3.940 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nc(-c3cccs3)n[nH]2)c1C 11672235 ACARCKLPGKFAPK-UHFFFAOYSA-N 390.490 3.630 0 40 GHAB O=C1OCC[C@@H]1Sc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1 3412811 LDNQLEUURNNZFL-HNNXBMFYSA-N 378.881 3.963 0 40 GHAB C[C@@H](NC(=O)Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1Cl 3464884 MZMCAIRDXJJESV-SSDOTTSWSA-N 395.073 3.734 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 5002135 HPFOSLPXAITZIF-SJLPKXTDSA-N 395.455 3.561 0 40 GHAB Nc1nc(COC(=O)CCSc2ccc(F)cc2)nc(Nc2ccccc2)n1 5260305 SNKFZUOQZODPAB-UHFFFAOYSA-N 399.451 3.562 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)c1C 5326384 HBTGJEFHQYZSSU-UHFFFAOYSA-N 397.427 3.888 0 40 GHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(C(F)(F)F)[nH]c1=O 25679632 YUTZXJVRNHLOHM-UHFFFAOYSA-N 379.165 3.973 0 40 GHAB C[C@@H]1CCCCN1C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 14183033 PAJGMNIDRRKKOQ-CQSZACIVSA-N 393.325 3.702 0 40 GHAB CC(=O)Nc1ccc(CNC(=O)c2cc(Br)ccc2Cl)cc1 22511512 AIBLEVVDRKGQOH-UHFFFAOYSA-N 381.657 3.991 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)c1 26838006 OXXPWPKQUPDPEF-LLVKDONJSA-N 387.379 3.827 0 40 GHAB O=C(CSc1ncnc2nc[nH]c12)c1ccc([C@H]2CC2(Cl)Cl)cc1 9146233 KJHJENFOBFRUJW-LLVKDONJSA-N 379.272 3.989 0 40 GHAB C[C@@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5776011 DINRRQKGHVYCND-CYBMUJFWSA-N 386.498 3.607 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@H]2c2nnc3ccccn23)c1 8882464 QWJFCNUQCJPWAK-SFHVURJKSA-N 378.476 3.904 0 40 GHAB CCN(CC)C(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 409130533 IMERXFPJNQLLER-JOCHJYFZSA-N 382.529 3.985 0 40 GHAB C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)N1CCN(c2ccccc2)CC1 7219811 PQLUMTAEDLWCKN-QGZVFWFLSA-N 398.528 3.677 0 40 GHAB CN1C(=O)C(=C2C[C@@H](c3cccs3)Sc3ccccc3N2)C(=O)N(C)C1=O 15670683 KVNUOZAYLIQQJZ-HNNXBMFYSA-N 399.497 3.702 0 40 GHAB CCCC(=O)NCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 7871643 QLOXKKZZOLMIPE-UHFFFAOYSA-N 375.472 3.938 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC[C@@H]1c1cccs1 7918007 MUFAMUXOGVQUJP-DLBZAZTESA-N 385.533 3.645 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 29369815 WFMSHFHOYCYBTM-UHFFFAOYSA-N 391.826 3.872 0 40 GHAB Cc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCO)cc1 16806657 SSUXYHTZRKWJKR-IBGZPJMESA-N 377.440 3.646 0 40 GHAB O=C(CSc1nnnn1C1CC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 8231294 OVFMEBQNEAWHGX-SFHVURJKSA-N 399.907 3.659 0 40 GHAB CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408531210 MLYKKYLSHNUBHY-IBGZPJMESA-N 388.533 3.547 0 40 GHAB CN1C[C@@H](C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1=O 83877351 GZQLCXKGMSDGTR-WMLDXEAASA-N 395.890 3.548 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C[C@@H](C)c1ccncc1 84077261 LSIVGCOMAJMBDU-GFCCVEGCSA-N 376.840 3.728 0 40 GHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 84590583 FHQVMGCZANESNK-UHFFFAOYSA-N 376.456 3.928 0 40 GHAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[C@H](O)c2ccccc2C1 95466719 GOSAUHSDKWUBLU-UGSOOPFHSA-N 394.393 3.852 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)CNC(c2ccccc2)c2ccccc2)c1C 89502411 PQFTXXGKUUBPGS-UHFFFAOYSA-N 376.456 3.980 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 408589425 HNKPIRHYLXJQGP-UHFFFAOYSA-N 391.493 3.678 0 40 GHAB CCCCNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 409114448 HPXGQIVGGFVZSH-UHFFFAOYSA-N 394.924 3.760 0 40 GHAB COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)Nc1ccc(-n2cnnn2)cc1 554048518 WPIFUNWULYOZLC-DNVCBOLYSA-N 392.463 3.676 0 40 GHAB Cc1cccc(CN2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@H]3C2)n1 306124540 BTIRPXYHHIPDBC-FPOVZHCZSA-N 396.537 3.874 0 40 GHAB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccc(F)cc2)cc1 408973172 ZMKVEBVKJNRFAW-UHFFFAOYSA-N 382.391 3.704 0 40 GHAB CCCCN(C)C(=O)Cn1c([C@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21 39389293 CMCXGKMORFRIJE-KRWDZBQOSA-N 396.535 3.553 0 40 GHAB Cc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2ccc(F)c(F)c2)cc1 35684412 DYBABUKQWFUXBN-KRWDZBQOSA-N 396.397 3.967 0 40 GHAB CCCc1nc(S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)O)n[nH]1 213374855 YBRJHIQFGKNWCH-GDNBJRDFSA-N 399.428 3.933 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 36620569 BUQMYGOAPOPYOZ-MRXNPFEDSA-N 381.881 3.883 0 40 GHAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38834517 QKQZLTYSKGCORW-MRXNPFEDSA-N 386.879 3.977 0 40 GHAB CC(C)c1cccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)c1 71769062 CMELIDDBRYTGTM-UHFFFAOYSA-N 381.451 3.955 0 40 GHAB Cc1ccccc1[C@@H](C(=O)O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 568281705 YQYFDIVTUNXDEJ-IBGZPJMESA-N 376.460 3.785 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1NC(C)=O 225782312 QPVXEPGFKLLSBB-UHFFFAOYSA-N 394.518 3.955 0 40 GHAB C[C@H](Oc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1)C(F)(F)F 569143675 IALOBEOBTPPHKJ-NSHDSACASA-N 387.379 3.672 0 40 GHAB CC(C)Oc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)cc1 225067010 GHJZBXPWHWASPD-UHFFFAOYSA-N 399.468 3.907 0 40 GHAB CS(=O)(=O)Nc1ccc(-c2csc(=Nc3cc(F)ccc3F)[nH]2)cc1 570600545 KXGNTIHDMRKRKX-UHFFFAOYSA-N 381.429 3.625 0 40 GHAB O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 224617482 NGEHZWJTIDCPTL-HNNXBMFYSA-N 390.842 3.569 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCCCN2CCCCC2)cc1Cl 225410911 ZRKNNWGWQUYZFY-UHFFFAOYSA-N 383.945 3.679 0 40 GHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 225673642 UKPJEMARIUFXKC-GOSISDBHSA-N 393.531 3.723 0 40 GHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(Cc2ccccc2)CC1 223111416 RTFMUMNMZNFYEJ-IBGZPJMESA-N 378.516 3.677 0 40 GHAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2cccc(Cl)c2Cl)c1=O 225969215 KPYINLKAEFSVFQ-UHFFFAOYSA-N 397.258 3.945 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)ccc21 223111111 ROYZMUCYVHQZTA-UHFFFAOYSA-N 385.489 3.893 0 40 GHAB O=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 225146789 ZHXZURJFDXISAL-GOSISDBHSA-N 378.394 3.523 0 40 GHAB Cc1cc(C)cc(NC(=O)c2nc3c(n2C(C)C)CCN(C(=O)C2CC2)C3)c1 96147120 POIPBFGUBDFHCQ-UHFFFAOYSA-N 380.492 3.628 0 40 GHAB Cc1nc(Cn2cnc(-c3cc(C(=O)NC(C)C)c4ccccn34)c2)cs1 96154920 SZZLJBXHFIIKJM-UHFFFAOYSA-N 379.489 3.754 0 40 GHAB CNC(=O)OC[C@H]1CCCCN1C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 585085594 QZHZZKBLZPFLND-CYBMUJFWSA-N 383.370 3.537 0 40 GHAB O=S(=O)(NCCc1cccc2cccnc12)c1ccccc1Br 58565206 GYNWTOVOGDDCPK-UHFFFAOYSA-N 391.290 3.518 0 40 GHAB Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@@H](O)C4)cc3C)cc2c1 72396193 LFODPIJOTUMYFY-HXUWFJFHSA-N 377.488 3.718 0 40 GHAB Cc1ccc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c(C)c1 1615131359 UEXJZFAYTWBTJV-QHCPKHFHSA-N 382.479 3.841 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(C(=O)CC(C)C)C2)on1 12123564 WLDKMJIQWHGCQN-MRXNPFEDSA-N 381.480 3.753 0 40 GHAB Cc1nc2c(C)cccc2cc1C(=O)NC[C@H](c1ccc2c(c1)OCO2)N(C)C 12203769 XDHLYGAUNGUPCT-LJQANCHMSA-N 391.471 3.613 0 40 GHAB Cc1ccc2c(CC(=O)N(CCN(C)C)Cc3cccnc3)c(C)[nH]c2c1C 12223322 YSZIJCKBNCSFIW-UHFFFAOYSA-N 378.520 3.621 0 40 GHAB COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(C)c(C)c3)CC1)O2 12293507 BDMRJLAITIJBIC-YADHBBJMSA-N 397.515 3.696 0 40 GHAB COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)O[C@@H]1CC[C@@H](C)[C@@H](C)C1 13477784 HUYGQRAVZXPWSL-IZSNYMMISA-N 388.533 3.856 0 40 GHAB Cc1cc(C(=O)Nc2ccc(Br)cc2F)c2c(C)nn(C)c2n1 14898749 LZRGCCPAJSSBNB-UHFFFAOYSA-N 377.217 3.739 0 40 GHAB COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc3c(c2)OCO3)cc1Cl 15029543 AHLKFHPBFMSCNP-LBPRGKRZSA-N 376.840 3.536 0 40 GHAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 15049427 ULXAQCSYROCKKT-YBEGLDIGSA-N 386.404 3.509 0 40 GHAB CCCCc1nn2c(=O)cc(COC(=O)c3ccccc3Cl)nc2s1 15734069 GUBGQLOZAGQUAA-UHFFFAOYSA-N 377.853 3.504 0 40 GHAB COc1ccc(CN(C)C(=O)CCn2cnc3cc(C)c(C)cc32)cc1OC 19125232 PRUPSNPGBUYJMT-UHFFFAOYSA-N 381.476 3.719 0 40 GHAB O=C1NCCN(C(=O)C2CCCC2)C[C@H]1Cc1ccc(-c2ccccc2F)cc1 19368384 IFEFSXAKTUCHGL-HXUWFJFHSA-N 394.490 3.800 0 40 GHAB Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)COc2ccccc2)c1C 19558154 XEMSWVLISHFSKM-IBGZPJMESA-N 394.475 3.825 0 40 GHAB CCn1cc(-c2cc(C(=O)N[C@H](C)c3cnn(C)c3C)c3ccccc3n2)cn1 19716531 HBGWGQYWOIGCEN-CQSZACIVSA-N 388.475 3.651 0 40 GHAB CCOc1cccc2sc(NC(=O)c3sc4nc[nH]c(=O)c4c3C)nc12 19717806 POAQPNJFZZNXLX-UHFFFAOYSA-N 386.458 3.554 0 40 GHAB CCC(=O)NC(=S)Nc1cc(Br)ccc1-c1ccc(C(=O)O)o1 226350565 KRWYVGFQVNPPMX-UHFFFAOYSA-N 397.250 3.630 0 40 GHAB CC(C)C(=O)N1CCCCCCCN(C(=O)[C@H](N)C(C)C)Cc2ccccc21 643587430 CUWBAESGNDQNNT-OAQYLSRUSA-N 387.568 3.952 0 40 GHAB COc1ccc2cnc(C3CCN(CC(=O)c4cnc(C)cn4)CC3)cc2c1C 12144156 ICCVHWZBCURPHF-UHFFFAOYSA-N 390.487 3.713 0 40 GHAB Cc1ccccc1NC(=O)N1CCC(N(c2cc(N(C)C)ncn2)C2CC2)CC1 1888879293 BOQRWSBAPNHALI-UHFFFAOYSA-N 394.523 3.516 0 40 GHAB CC(C)[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2 28794119 IKVFKCDFUHYOPV-JOCHJYFZSA-N 379.460 3.780 0 40 GHAB Cc1cc(C)c2nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)sc2c1 2037850015 HRNRJTBYCCHFMN-UHFFFAOYSA-N 380.517 3.917 0 40 GHAB COc1ccc(-c2ccc(SCC(=O)N3CCC(C)CC3)nn2)cc1OC 4355683 SUWIQGYLUFXHOS-UHFFFAOYSA-N 387.505 3.511 0 40 GHAB CC(=O)Nc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)cc1 4689753 AJRDTVPAPAMIKF-LJQANCHMSA-N 382.460 3.888 0 40 GHAB COc1ccc2nc(N(Cc3ccco3)C(=O)c3cc(C)n(C)n3)sc2c1 9122279 PJYOADGEIIKSPL-UHFFFAOYSA-N 382.445 3.787 0 40 GHAB Cc1ccccc1NC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)o1 49028983 YLXBVKUSXUPDRG-UHFFFAOYSA-N 393.472 3.770 0 40 GHAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCCC3)cc2)C(C)C)c1 10429511 DJXQGCYKHJVEQZ-NRFANRHFSA-N 379.504 3.988 0 40 GHAB Cc1nc(-c2ccco2)nc2sc(C(=O)NC[C@@H](C3CC3)N(C)C)c(C)c12 40152087 IWKIXQZKRZVGDN-AWEZNQCLSA-N 384.505 3.638 0 40 GHAB COC(=O)/C(=C\Nc1ccc(Cl)cc1Cl)NC(=O)c1ccc(OC)cc1 100334525 ZWSKEQFSJGIUFZ-MHWRWJLKSA-N 395.242 3.858 0 40 GHAB CCN1CCC[C@H]1CN/C=C1/C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21 20519335 WARNGSUBAHMZIU-QZMYASAMSA-N 389.499 3.597 0 40 GHAB Cn1c(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)nnc1-c1ccc(Cl)cc1 101371519 ULXFPOPKYMQIMM-OAHLLOKOSA-N 398.875 3.560 0 40 GHAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCCCN2CCCCC2)cc1 32755311 PPBJHRQGNDXOCY-UHFFFAOYSA-N 375.513 3.568 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2ccccc2OCc2noc(C)n2)cc1F 21465536 NXGHTBKBXIKSCH-LBPRGKRZSA-N 385.395 3.596 0 40 GHAB Cc1ccc(C)c(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2ccco2)c1 1353870 OFPMZXNRFRKHMK-UHFFFAOYSA-N 380.419 3.999 0 40 GHAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 1943861 MVNXGQRQMCYYKG-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB Cc1cc2cc3c(cc2nc1SCC(=O)NCc1ccccc1)OCCO3 4170921 BJCWJKMMLTXRHY-UHFFFAOYSA-N 380.469 3.723 0 40 GHAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)n1 4967820 ZMWKNVBBFVEDDY-AWEZNQCLSA-N 394.397 3.847 0 40 GHAB CCCOc1c(I)cc(C(=O)N(CC)CC)cc1OC 6779030 PJJSVZMHOLINRB-UHFFFAOYSA-N 391.249 3.571 0 40 GHAB Cc1ccccc1NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 8478952 UZLQDMZONFCCGQ-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB CCn1ncc(-c2cc(C(F)F)c3c(C4CC4)nn(CC(=O)O)c3n2)c1C 12395334 CJIIHNCULPQRAA-UHFFFAOYSA-N 375.379 3.523 0 40 GHAB CC(=O)Nc1cccc(C(=O)OCc2csc(Nc3ccc(C)cc3)n2)n1 12544261 AACYEIPPRQOVBI-UHFFFAOYSA-N 382.445 3.906 0 40 GHAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc(Cl)ccc1Cl 20258802 ZMVPINTUBGDXSW-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB Cc1cccn2cc(-c3ccc(NC(=O)CNC(=O)C4CCCC4)cc3)nc12 53837751 FVLKJOQMDYDSKY-UHFFFAOYSA-N 376.460 3.555 0 40 GHAB CC(=O)N1CCc2cc(N[C@H](C(=O)Nc3cc(C)on3)c3ccccc3)ccc21 12514349 WJXRTOHUICQFEW-NRFANRHFSA-N 390.443 3.684 0 40 GHAB CN(C)c1ccc(C2OCC3(CO2)COC(c2ccc(N(C)C)cc2)OC3)cc1 867370 SWYONIKMNPDIHD-UHFFFAOYSA-N 398.503 3.596 0 40 GHAB CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1c(Cl)cccc1Cl 989115 QWKGFZZTZICWPZ-AWEZNQCLSA-N 396.226 3.513 0 40 GHAB COc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccc(OC)c(OC)c2)S3)cc1 957018 UVHHIMPMPMZYFS-QGZVFWFLSA-N 397.456 3.848 0 40 GHAB COc1ccc2c(C)cc(SCC(=O)Nc3cccc(C(=O)O)c3)nc2c1 939179 LGQBAUJSMHUQIY-UHFFFAOYSA-N 382.441 3.981 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(c2nnc3ccccn23)CC1 24326518 RTWKHKXTGJOHID-AWEZNQCLSA-N 384.867 3.556 0 40 GHAB Cc1cccc(OCCC(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c1C 24983042 PMWZFNSHQFLYJK-UHFFFAOYSA-N 380.488 3.623 0 40 GHAB COC(=O)/C(=C\Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(C(C)C)cc1 67340536 OWKIJTWIDUECMQ-CPNJWEJPSA-N 389.473 3.719 0 40 GHAB CCN(c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1)S(=O)(=O)CC 113972672 NALWOOQJORQWKN-HXUWFJFHSA-N 386.517 3.670 0 40 GHAB CCOc1ncccc1C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 3377086 APHYUAKAQKJVIG-SNVBAGLBSA-N 383.231 3.971 0 40 GHAB COc1ccc(C2=NO[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2)cc1OC 101435148 YLYXNLWJZSDRHL-MPHOGZCYSA-N 386.492 3.624 0 40 GHAB O=C(Nc1ccc(OCC(F)(F)F)nc1)C1(c2ccccc2)CCOCC1 44547196 NSQYEWIDWNESPQ-UHFFFAOYSA-N 380.366 3.710 0 40 GHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCn1cnc2sccc2c1=O 12784758 NUWBZLQYXWCCLK-UHFFFAOYSA-N 395.406 3.526 0 40 GHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 58167784 JIZMXTWBCYYWJQ-RRFJBIMHSA-N 379.840 3.503 0 40 GHAB COc1ccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12881556 LGPXHEHOMZNCAE-IBGZPJMESA-N 382.460 3.632 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)cc1 11552100 ZUUGLNREPATKST-APWZRJJASA-N 388.508 3.586 0 40 GHAB CNC(=O)c1ccc(CNC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 45869688 SHCKWYWQMNVLDI-GFCCVEGCSA-N 379.382 3.625 0 40 GHAB CCc1ccc(Cl)c(CC)c1NC(=O)Cn1cnc2ccsc2c1=O 11652088 MEYPLNVGDMUUHY-UHFFFAOYSA-N 375.881 3.875 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccsc1 29414949 BFANRFNOOKVGCX-FQEVSTJZSA-N 382.533 3.806 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)c1 29488234 FQSOHQQSXKRCFU-NRFANRHFSA-N 379.504 3.726 0 40 GHAB COc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1OC 13009500 PKVMNBPNEOOFCJ-UHFFFAOYSA-N 398.484 3.663 0 40 GHAB CC1=C(C)C[C@@H]2C(=O)N(c3ccccc3I)C(=O)[C@H]2C1 13424121 DAFDFPAFAHZQOZ-RYUDHWBXSA-N 381.213 3.527 0 40 GHAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2cccc3cccnc23)CC1=O 7979550 IBJJDCMCPSFCQN-MRXNPFEDSA-N 375.428 3.543 0 40 GHAB Cc1csc2nc(COC(=O)c3ccc(COc4ccccc4)o3)cc(=O)n12 7977672 VETQSTVNFTWOLH-UHFFFAOYSA-N 396.424 3.593 0 40 GHAB CCOc1ccccc1OCC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 8062012 DITJAOHERKDVBF-JOCHJYFZSA-N 385.460 3.749 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2Cc2cc(C)no2)cc1 8160020 HHEFLJXCEMRPDL-HXUWFJFHSA-N 390.443 3.648 0 40 GHAB C[C@H](C(=O)Nc1ccccc1)n1nnc2sc(-c3ccccc3)cc2c1=O 5183317 URZIPINXHCBZNU-CYBMUJFWSA-N 376.441 3.720 0 40 GHAB Cc1ccc(NC(=O)COCC(=O)NCCc2ccc(Cl)cc2)cc1Cl 13943762 XHWKUUVKMKAPFR-UHFFFAOYSA-N 395.286 3.616 0 40 GHAB Cc1sc2nc(CN3CCCC3)nc(Oc3ccccc3C(N)=O)c2c1C 14184886 BTSCSNXDHRJCTK-UHFFFAOYSA-N 382.489 3.795 0 40 GHAB O=C(Oc1ccccc1Cl)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4593184 GQIREHZZCKOMCI-QXUMQBBKSA-N 393.826 3.871 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 6623500 MVTZBFOPZANEPV-UHFFFAOYSA-N 396.468 3.650 0 40 GHAB Cn1c(=O)n(C)c2cc(Nc3cc(SCc4ccccc4)ncn3)ccc21 6794088 UFPZSUZTGMULLK-UHFFFAOYSA-N 377.473 3.703 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC[C@@H]2c2cccs2)c1 8340333 CZOHWFSAGCFDOL-OAHLLOKOSA-N 398.937 3.581 0 40 GHAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2ccccc2[nH]1 8303351 FHUKNMPSLHJHRG-UHFFFAOYSA-N 375.350 3.897 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)o3)C2=O)cc1C 15008745 BLRUZQYJIKPCMW-MHWRWJLKSA-N 399.472 3.637 0 40 GHAB C[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2n1C(F)F 6970893 CEIOULZQTHTYMI-LLVKDONJSA-N 398.369 3.596 0 40 GHAB COc1ccc(-n2nnc(C(=O)Nc3ccccc3C(F)(F)F)c2C)cc1 4938479 XVQJIQWVSGVHON-UHFFFAOYSA-N 376.338 3.855 0 40 GHAB O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)N1CCc2ccccc21 7023797 GTIPJKHXOOSCCB-UHFFFAOYSA-N 387.464 3.714 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)CS[C@H](C)c3nc4ccccc4[nH]3)cc2NC1=O 7118899 GGBVVLVHBUUVBO-VXGBXAGGSA-N 396.472 3.715 0 40 GHAB Cc1ccc([C@@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 17198124 VBCYUUQLIJQUCY-NRFANRHFSA-N 379.485 3.571 0 40 GHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(I)cc2)c1 8715007 MUIIPMFGTSQSGU-UHFFFAOYSA-N 387.242 3.709 0 40 GHAB COc1ccc(OC)c2c1cc(C(=O)Nc1nc(-c3ccccn3)cs1)n2C 72400392 YSXBTURPCQGVHS-UHFFFAOYSA-N 394.456 3.966 0 40 GHAB C[C@@H](C(=O)NCCc1ccc(Cl)cc1)n1c(S)nnc1-c1cccs1 95392595 SSOSPQDOAMONQT-NSHDSACASA-N 392.937 3.869 0 40 GHAB O=C(O)c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2cccnc2)cc1 9009479 PFGHSRCQERYJBN-OAQYLSRUSA-N 396.406 3.920 0 40 GHAB CN1C[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1=O 83877342 GZQLCXKGMSDGTR-YOEHRIQHSA-N 395.890 3.548 0 40 GHAB Cc1cc([C@@]2(C)NC(=O)N(Cc3ccc(Br)s3)C2=O)c(C)o1 72067814 AOWVHWCRUKSFIR-OAHLLOKOSA-N 383.267 3.688 0 40 GHAB CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCc1nc(-c2ccccc2)n[nH]1 84019608 GQTXESJWIYDJIE-UHFFFAOYSA-N 396.520 3.520 0 40 GHAB Cc1cc(C(=O)NC[C@H]2COc3ccccc3O2)c(C)n1Cc1ccccc1 84080225 ZKCRMMZPQSHBBG-IBGZPJMESA-N 376.456 3.723 0 40 GHAB C[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(-n2ccnc2)cc1 9836803 ILPOBLXCWJMCHJ-CQSZACIVSA-N 393.472 3.794 0 40 GHAB Cn1cc(CCOC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cn1 95959797 RTMHKSJEFBAHHA-UHFFFAOYSA-N 381.379 3.962 0 40 GHAB O=C(Nc1ccsc1C(=O)N1CC=C(c2ccccc2)CC1)c1cnccn1 67335768 ODFOYQISGKYKOU-UHFFFAOYSA-N 390.468 3.720 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2O)n1CC 409412439 WTXDRNPNJRKQMT-UHFFFAOYSA-N 382.489 3.964 0 40 GHAB COCCOC(=O)c1c(C)oc2ccc(OCC(=O)OCc3ccccc3)cc12 2267186 YEZBHFLFJYYJOO-UHFFFAOYSA-N 398.411 3.667 0 40 GHAB biogenic COc1cc2c(cc1OC)[C@H](NC(=O)c1cc3c(OC)ccc(OC)c3[nH]1)CC2 524733392 OAKJQUHONFUZLV-OAHLLOKOSA-N 396.443 3.620 0 40 GHAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc2c(c1)ncn2CCc1ccccc1 6659288 GXJOIZLVNFTKSN-NEAWWFDSSA-N 383.451 3.591 0 40 GHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 33572057 FAIYANDMGAQEEF-NQIIRXRSSA-N 396.487 3.700 0 40 GHAB Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72219620 KEIAASYYEBXGPC-FQEVSTJZSA-N 381.476 3.700 0 40 GHAB Cn1cc(NC(=O)N2CCOC[C@H]2c2nc3ccccc3s2)c(C2CC2)n1 562288216 SNLMINVJOBUAFF-HNNXBMFYSA-N 383.477 3.513 0 40 GHAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)c2c[nH]nc2C)n1 72358053 DGZQVYQBKHOXRF-FQEVSTJZSA-N 376.460 3.690 0 40 GHAB COc1ccc(CCCNS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 223301497 WGAQGXBCAGJJCL-UHFFFAOYSA-N 385.485 3.768 0 40 GHAB COC(=O)c1ccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 48007124 BIGPLUSNEASYEA-UHFFFAOYSA-N 378.432 3.761 0 40 GHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CC2)c1C 223044176 GXMHCWNRHGKTHH-WOJBJXKFSA-N 384.549 3.844 0 40 GHAB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)o1 222767441 MNTCGPSGKGZULI-RTBURBONSA-N 393.468 3.731 0 40 GHAB O=C(O)c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1F 223371661 RNSNDGKYDONMAK-UHFFFAOYSA-N 397.733 3.997 0 40 GHAB CCOCCOc1ncc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C 225873931 FMJINOIHBKVHAM-UHFFFAOYSA-N 398.503 3.801 0 40 GHAB CCCNS(=O)(=O)c1ccc(CCC(=O)N(C)c2ccc(C)c(C)c2)cc1 222873315 JUYNPGLVINZFSC-UHFFFAOYSA-N 388.533 3.587 0 40 GHAB COc1ccc(Cl)cc1[C@H](O)CNC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 529454548 RQSDJBNEQRANNG-XYJFISCASA-N 377.843 3.831 0 40 GHAB CCc1ccc([C@H](C)NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)cc1 225501626 UFZJPUQCHHNAJU-INIZCTEOSA-N 388.533 3.916 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1 224036490 ADQUYEZLEXEOHE-UHFFFAOYSA-N 388.489 3.559 0 40 GHAB Cc1ccc(F)cc1NCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 85406315 AHTARUZOQSUMOC-REZTVBANSA-N 386.404 3.969 0 40 GHAB CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224218297 BHFFFZZOMWZNSV-UHFFFAOYSA-N 380.897 3.613 0 40 GHAB Cc1cc(Nc2ncc(-c3ccccc3)s2)nc(C2CCN(CCO)CC2)n1 143384958 WRWXSTAFBJHFCZ-UHFFFAOYSA-N 395.532 3.824 0 40 GHAB Cc1cccnc1C(=O)N1CC[C@H](Cc2cccc(-c3c(C)noc3C)n2)C1 257316008 VDSPRFLNAMHLHR-QGZVFWFLSA-N 376.460 3.762 0 40 GHAB C[C@]12CCCN(C(=O)c3ccc(Cc4ccc(F)cc4)nc3)[C@H]1CCCCN2 257265038 LXAOGKRNNQNKDH-GMAHTHKFSA-N 381.495 3.948 0 40 GHAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)Cc2ccccc2F)n1 257260134 LBKMZMBMDISAMR-SFHVURJKSA-N 380.423 3.794 0 40 GHAB CNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)c3ccccc3)ccc2c1N 257226859 FMMCERXIAUXGAF-INIZCTEOSA-N 394.500 3.606 0 40 GHAB COC(=O)[C@H]1CN(Cc2nnc(-c3cccc(Cl)c3)o2)Cc2ccccc21 599671640 ZYTJRXZRVOBGRS-KRWDZBQOSA-N 383.835 3.662 0 40 GHAB Cc1cccc(Nc2cc([C@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)ccn2)n1 585291334 NTUTUMKTMMJIKU-DVBCCOPCSA-N 388.475 3.671 0 40 GHAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 585292800 SKAROWWPNHDXJN-GNISGLHKSA-N 385.471 3.953 0 40 GHAB COc1ccc(CCCC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)c(C)c1 12291899 SLKDEXHGKFJBJB-UHFFFAOYSA-N 396.516 3.921 0 40 GHAB CCN(CC(=O)NCc1cccs1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 12846436 GEYJLRSWDJKHPO-UHFFFAOYSA-N 394.924 3.724 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 14900825 LJFPIVWVCSPLFV-UHFFFAOYSA-N 375.428 3.723 0 40 GHAB O=C1/C(=C/c2cc(Cl)ccc2O)NC(=S)N1Cc1ccccc1Cl 15282200 WOKZRTNNWKRRCO-ZSOIEALJSA-N 379.268 3.957 0 40 GHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O 15453101 DFPMHGNDIUDXAW-HUUCEWRRSA-N 394.924 3.680 0 40 GHAB CSc1ccc(/C=c2/sc3nc(/C=C/c4cccs4)nn3c2=O)cc1 16779436 RAYQRAMOSUKLMQ-QCTDOKRBSA-N 383.523 3.653 0 40 GHAB CCOc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2cccnc2)cc1OC 19533693 OTOUENIWRBCGQK-DETIRCLXSA-N 382.504 3.609 0 40 GHAB COc1cc2[nH]c(=O)c(CNc3cccc4ncccc34)cc2c(OC)c1OC 19550500 BMWAPABXSVNRGF-UHFFFAOYSA-N 391.427 3.714 0 40 GHAB Cn1nccc1CN1CCC([C@@H]2CCCCN(CCc3ccccc3)C2=O)CC1 19743947 USOZKCKGFYGOOH-QHCPKHFHSA-N 394.563 3.504 0 40 GHAB C=CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1 8200796 MKAWXSXBVRTLAC-XMHGGMMESA-N 392.480 3.645 0 40 GHAB CC(C)c1cccc2c1N(C(=O)[C@H]1CC(=O)N(Cc3ccccn3)C1)CCC2 662051418 GMSYMILVDZNJRX-SFHVURJKSA-N 377.488 3.533 0 40 GHAB CN1CCN(Cc2ccccc2)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 19589572 WRCQNBPZRINOKX-DEOSSOPVSA-N 385.511 3.882 0 40 GHAB O=C(N[C@H]1CC[C@H](O)CC1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 257312330 UNKSJNZCKKIDAS-MEMLXQNLSA-N 394.515 3.508 0 40 GHAB COc1cccc2sc(NC(=O)[C@@H](NC(=O)c3cccs3)C(C)C)nc12 9336968 BZIRIIBZHFSHCT-AWEZNQCLSA-N 389.502 3.760 0 40 GHAB Cn1cc(-c2ccc(CCNC(=O)c3ccccc3Br)cc2)cn1 1889263478 LJMACYUBEGUOSB-UHFFFAOYSA-N 384.277 3.822 0 40 GHAB CSc1ccccc1NC(=O)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223348 GYVCZQHMFZISOB-ROUUACIJSA-N 375.538 3.516 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 5222937 CHMIGFIXCOWJHG-UHFFFAOYSA-N 376.434 3.605 0 40 GHAB COc1ccc([C@H]2c3cccn3CCN2C(=O)NCCc2ccccc2)cc1 5256182 JUHIXIAETONWQM-QFIPXVFZSA-N 375.472 3.854 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 13716665 KAMWIUXZEPFWCM-UHFFFAOYSA-N 380.469 3.868 0 40 GHAB C[C@@H](NC(=O)Cc1cc(O)nc(SCc2ccccc2)n1)c1ccccc1 23138001 QGXGRWOWYPLRHB-OAHLLOKOSA-N 379.485 3.894 0 40 GHAB COc1ccc(NC(=O)Nc2ccccc2NC(=O)c2ccccn2)cc1OC 38490155 NVUHONSJHJTIMX-UHFFFAOYSA-N 392.415 3.995 0 40 GHAB COc1cc(OC)c2[nH]c(C(=O)Nc3nc(-c4ccccn4)cs3)cc2c1 32909676 SGYSNMSUGBUYOE-UHFFFAOYSA-N 380.429 3.956 0 40 GHAB CN(C)c1cc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)ccn1 40131897 XCDSQSKSWBQVQO-UHFFFAOYSA-N 390.274 3.952 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)N(C)Cc2ccsc2)cs1 40131302 GAGPCPOKRKRALF-UHFFFAOYSA-N 375.475 3.559 0 40 GHAB Cc1c(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)[nH]c2c1C(=O)CCC2 50661781 YDBRBFHMBLWLKW-QGZVFWFLSA-N 384.451 3.803 0 40 GHAB O=S(=O)(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C[C@@H]1CCCO1 46160186 XFCFYYPYYGQYLH-AWEZNQCLSA-N 391.436 3.923 0 40 GHAB C[C@H](c1ccccc1Cl)N1CCN(Cc2nc(O)c3sccc3n2)CC1 29686037 XOZAHUQQYVJIHG-CYBMUJFWSA-N 388.924 3.929 0 40 GHAB CN(Cc1ccccc1)C(=O)COC(=O)c1occc1COc1ccccc1 11827010 ANCVNROCUSVJNN-UHFFFAOYSA-N 379.412 3.674 0 40 GHAB Cc1noc(-c2ccc(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)cc2)n1 29873225 BDVAPKUONYFBAV-GOSISDBHSA-N 384.867 3.731 0 40 GHAB Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)cs2)c1 11904273 ZKFYUMGOLAEVLT-UHFFFAOYSA-N 379.441 3.726 0 40 GHAB CCOc1ccc(-c2nnc(N(C)C(=O)Cc3ccccc3OC)s2)cc1 1345539 OWLCZOOFFGJFBH-UHFFFAOYSA-N 383.473 3.818 0 40 GHAB C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)NCC1(c2ccccc2)CCOCC1 79051367 SEESZCNKHUYAAO-OFNKIYASSA-N 392.543 3.729 0 40 GHAB C[C@H](C(=O)NCC1CCCCC1)S(=O)(=O)Cc1ccccc1C(F)(F)F 32929676 TULIFKPDFCAQCA-CYBMUJFWSA-N 391.455 3.705 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@H]1c1ccccc1F 4854301 XCNVIZJDOXTSAU-HXUWFJFHSA-N 379.391 3.993 0 40 GHAB CCCn1c(=O)n(CC(=O)N2CCCCC[C@H]2c2cccn2C)c2ccccc21 32902675 NJKIHBMEWHWHBF-IBGZPJMESA-N 394.519 3.695 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCC2)c1 7015352 KQIAEXDOMGVVCQ-UHFFFAOYSA-N 388.489 3.649 0 40 GHAB CC(C)CC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 8503459 KVSJKMWZCNWXKV-HJPURHCSSA-N 395.503 3.548 0 40 GHAB COc1ccc(CCNC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 22382805 ZILRFCQYTFAAKN-IBGZPJMESA-N 398.532 3.908 0 40 GHAB CCCCCC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(OC)c(OC)c1)CC2=O 2739361 JBQRVJADBGSTLJ-HNNXBMFYSA-N 397.475 3.925 0 40 GHAB biogenic Cc1nc(SCc2cc(Cl)c3c(c2)OCCCO3)sc1CC(N)=O 22486528 SKPCJPKHKJOFAZ-UHFFFAOYSA-N 384.910 3.586 0 40 GHAB O=C(NCCOc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(F)cc1 59417448 HFQZURHJZGSOQO-UHFFFAOYSA-N 392.430 3.550 0 40 GHAB O=C(O)CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 808244 MZNZQGHIZHGQHD-FQEVSTJZSA-N 388.427 3.562 0 40 GHAB CCCC1=NN(C(=O)c2ccccc2Br)[C@](O)(C(F)(F)F)C1 845856 VTWLQXCQVGHXFA-CYBMUJFWSA-N 379.176 3.702 0 40 GHAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 956223 GCPOQPWMMYNBCX-HXUWFJFHSA-N 390.443 3.627 0 40 GHAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(CN2C(=O)CCC2=O)cc1 12553152 TUVNNAPYPFMGJT-UHFFFAOYSA-N 377.227 3.895 0 40 GHAB CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1cc(C)on1 12535040 HJCSIMKIDKUIJK-UHFFFAOYSA-N 383.452 3.703 0 40 GHAB Cc1cc(=O)c(C(=O)N(C)[C@@H]2CCc3ccccc32)nn1-c1ccc(Cl)cc1 24830730 AYBUOHMDNPNPFL-LJQANCHMSA-N 393.874 3.954 0 40 GHAB Cc1ccc(Sc2c(N3CCOCC3)cnn(-c3ccc(C)cc3)c2=O)cc1 1398199 VTHRWYIPRVAOCP-UHFFFAOYSA-N 393.512 3.837 0 40 GHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113955307 GMIBSQZRFNPFJG-FQEVSTJZSA-N 387.911 3.888 0 40 GHAB O=C(NCc1ccccc1N1CCCC1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 57250184 SYNLHVNKOGQASN-INIZCTEOSA-N 389.908 3.811 0 40 GHAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 57416583 HPISESPLBUSHGQ-TZMCWYRMSA-N 390.842 3.718 0 40 GHAB COc1cc(N[C@H](C)C(=O)NCCC2=CCCCC2)ccc1N1CCCC1=O 10185112 DBISWVRWCCLLIQ-MRXNPFEDSA-N 385.508 3.629 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCC4CCOCC4)c(C)c3cc12 72324901 RCEPRBRTIBCANA-UHFFFAOYSA-N 383.444 3.550 0 40 GHAB biogenic O=c1[nH]nc(SCc2sc3ccccc3c2Cl)n1C[C@@H]1CCCO1 58376998 ILPZGLOIUJKZHU-JTQLQIEISA-N 381.910 3.911 0 40 GHAB CC(C)[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 58441674 BZCZMTNANXMQDD-JOCHJYFZSA-N 383.444 3.633 0 40 GHAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NC1CCCCCC1 3349713 BJGLBRCKPINIBG-UHFFFAOYSA-N 379.456 3.913 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 28293645 RKSVOSPSYMGVGE-KRWDZBQOSA-N 379.460 3.963 0 40 GHAB O=C(OCn1nnc2ccccc2c1=O)/C(=C/c1cccs1)c1cccs1 3357741 OHJIERQLCIXMNV-RVDMUPIBSA-N 395.465 3.656 0 40 GHAB COc1cc(OC)c(C2=CCN(Cc3nnc(-c4ccco4)o3)CC2)c(OC)c1 11060755 CSGCMRMXHQPQNS-UHFFFAOYSA-N 397.431 3.645 0 40 GHAB COc1ccc2cc(CNC(=O)CNC(=O)c3ccc(Cl)cc3)ccc2c1 11125614 PXUCXPREVIBZGV-UHFFFAOYSA-N 382.847 3.548 0 40 GHAB COC(=O)c1cccc(CSCc2nc(N)nc(Nc3ccc(F)cc3)n2)c1 29353971 OMAWQQKGSWLECZ-UHFFFAOYSA-N 399.451 3.557 0 40 GHAB Cc1sc2nc(COC(=O)c3cccc(OC(F)F)c3)[nH]c(=O)c2c1C 13638235 XQLJTRSKGRULMR-UHFFFAOYSA-N 380.372 3.560 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2c(F)cccc2Cl)c1 5037298 SDLSTVMENJDCNB-UHFFFAOYSA-N 377.220 3.893 0 40 GHAB COc1cc(-c2nnc3sc(-c4ccc(C)cc4)nn23)cc(OC)c1OC 4383993 CFBWFOONFWBEBI-UHFFFAOYSA-N 382.445 3.854 0 40 GHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@H]2CCOC2=O)c(C)c1 5437000 XFNSPNFYPPPVCJ-IBGZPJMESA-N 376.412 3.628 0 40 GHAB Cc1c(NC(=O)c2cc(Br)ccc2Cl)cccc1-n1cnnn1 6785972 HVSYEGGQVORVES-UHFFFAOYSA-N 392.644 3.639 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1 6720888 PHHRTIFKZOPRGC-CQSZACIVSA-N 396.468 3.774 0 40 GHAB COCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3O)c2[C@H]1c1ccc(C)cc1 8845760 PXBNDVCIOPGQOZ-OAQYLSRUSA-N 377.444 3.591 0 40 GHAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)cc1C 4845655 WDARZPJHBLDVNX-ALFLXDJESA-N 386.451 3.867 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccccc1)S2 6812059 UZWCJLFXMGKJOR-IRXDYDNUSA-N 399.907 3.892 0 40 GHAB Cc1ccc(NC(=O)CSc2nccn(-c3cccc(Cl)c3)c2=O)cc1 6915344 UFBGVKBCTJRZOD-UHFFFAOYSA-N 385.876 3.925 0 40 GHAB O=S(=O)(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(F)c(F)c1F 7055686 FQQJDGMPPTYGTJ-UHFFFAOYSA-N 385.363 3.946 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)OCc1nc2ccccc2o1 7781490 DREQZAMFUSMODP-UHFFFAOYSA-N 381.384 3.695 0 40 GHAB NC(=O)[C@H]1CN(c2ncnc3sc(-c4ccccc4)cc23)c2ccccc2O1 7813718 QQEIVVMRRLCOSD-QGZVFWFLSA-N 388.452 3.743 0 40 GHAB CC(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)NC1CCCCC1)CCCC2 7977331 SFYMHJOPGFDTJH-GFCCVEGCSA-N 392.521 3.580 0 40 GHAB O=C(COCc1nc2ccccc2s1)Nc1ccc(N2CCCC2=O)cc1 8131979 OUNFUQVHYIBZIU-UHFFFAOYSA-N 381.457 3.578 0 40 GHAB CCOc1ccccc1NC(=O)[C@H](Sc1nnnn1C1CC1)c1ccccc1 8232281 WUQGRFOZYGKTSQ-GOSISDBHSA-N 395.488 3.879 0 40 GHAB CCc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(OC)c(Cl)c3)n2)cc1 9205796 HNBREXXBWAVWDT-UHFFFAOYSA-N 383.835 3.709 0 40 GHAB CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCO2)c2c[nH]c3ccccc23)cc1 9469815 MADVDVQICRSPOV-KNQAVFIVSA-N 377.488 3.661 0 40 GHAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C[C@H](C(=O)O)CC2=O)c1 9592123 JXUFRXLBBMRDTA-QGZVFWFLSA-N 380.444 3.501 0 40 GHAB COc1ccc(CN(C)C(=O)Nc2nc3ccccc3s2)c(OC)c1OC 9710497 YWUKIZHCDMYSFF-UHFFFAOYSA-N 387.461 3.986 0 40 GHAB O=C1C[C@@H]2N(CC3CC3)CC[C@@]2(c2ccccc2)CCN1Cc1ccccn1 306128892 HNTYLAAEHVELCQ-UPVQGACJSA-N 375.516 3.626 0 40 GHAB CCC(CC)(CCO)CN[C@@H](C)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1 95451043 NGWWRMQROQKDKA-SFHVURJKSA-N 392.565 3.873 0 40 GHAB CC(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2nc(-c3ccco3)cs2)c1 95956655 IWHFBHNEICGOSB-UHFFFAOYSA-N 394.449 3.977 0 40 GHAB COc1ccccc1CN1C[C@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@H]2C1 306140753 VDDYUMUYIOPAIU-UGKGYDQZSA-N 395.480 3.711 0 40 GHAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C 22532354 CYVQOARMKGKTLD-UHFFFAOYSA-N 395.484 3.680 0 40 GHAB CCN(CC)C(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 409130540 IMERXFPJNQLLER-QFIPXVFZSA-N 382.529 3.985 0 40 GHAB Cc1cc(CNC[C@H](N2CCOCC2)C(F)(F)F)ccc1Oc1cccnc1 512977114 GNHCKTWWZCRDHO-IBGZPJMESA-N 395.425 3.535 0 40 GHAB CCCOc1ccc(-c2nc(NC(=O)COc3ccc(OC)cc3)no2)cc1 32623642 UMZYKUVLQMGPTH-UHFFFAOYSA-N 383.404 3.552 0 40 GHAB O=C(NCc1ncn(Cc2cccc(F)c2)n1)N[C@@H]1CCc2cc(Cl)ccc21 527872242 VWAQJOYIHCJVJL-GOSISDBHSA-N 399.857 3.606 0 40 GHAB COc1ccc(-c2cccc([C@H]3CCCN(C4CCN(C(C)=O)CC4)C3)n2)cc1 72350195 OBYSDCZMCPJKRO-FQEVSTJZSA-N 393.531 3.948 0 40 GHAB CCCN(CCc1cccs1)[C@H]1CCc2c(cccc2OS(=O)(=O)O)C1 77312948 VWKVWIAVWPRBTQ-INIZCTEOSA-N 395.546 3.742 0 40 GHAB in-vitro O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)NCc1ccccn1 1565524573 LJHXPWKVNCCZGN-UHFFFAOYSA-N 377.488 3.694 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(S(C)(=O)=O)cc1 219311087 ZMESPNFPCUSXMV-VQIMIIECSA-N 389.517 3.742 0 40 GHAB O=C(CN1CCC[C@H](c2nccnc2-c2ccccc2F)C1)Nc1nccs1 72358596 ONCHKSDPNWRABW-AWEZNQCLSA-N 397.479 3.557 0 40 GHAB CCCN1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC4CCCC4)c(C)n3n2)C1 72369608 ZITHUANTSIXZBD-GOSISDBHSA-N 397.567 3.537 0 40 GHAB CCOc1ccc(-c2nnc3sc(NC(=O)c4ccccc4F)nn23)cc1 41108783 GECSIUGKXALZRZ-UHFFFAOYSA-N 383.408 3.643 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 225381567 UGVIXPVQGSBCJW-ZWKOTPCHSA-N 382.504 3.570 0 40 GHAB O=C(NCc1ccco1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223974285 XHGJIARIMOAXHV-UHFFFAOYSA-N 390.848 3.664 0 40 GHAB C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 44791670 QAFGCJGIFIOZJB-GOSISDBHSA-N 394.496 3.759 0 40 GHAB COc1ccc(-c2noc(-c3ccc(=O)n(Cc4ccccc4)c3)n2)cc1OC 49007444 PTXHKSIFGUDSKS-UHFFFAOYSA-N 389.411 3.631 0 40 GHAB CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 224968600 UJLUUSAQLYFIIS-UHFFFAOYSA-N 397.880 3.659 0 40 GHAB Cc1cccc(OCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 225125622 SSFFLHMEXBGJHF-PGMHBOJBSA-N 390.439 3.554 0 40 GHAB CC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)NC3CCCCCC3)c2)nc1 49407486 YDJNLKDENZCDDV-UHFFFAOYSA-N 383.496 3.705 0 40 GHAB S=C(NCc1nc(-c2ccccc2Cl)no1)Nc1ccc2c(c1)OCO2 225818901 NNEDGAQSIWJERK-UHFFFAOYSA-N 388.836 3.605 0 40 GHAB O=C(N[C@H](C(=O)O)C1CCC(O)CC1)OCC1c2ccccc2-c2ccccc21 91693029 LDKHGFYFIBBLAC-XFMWISLNSA-N 395.455 3.529 0 40 GHAB O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(Br)cc1F 98073060 ITAJJFKCDMJPEJ-UHFFFAOYSA-N 378.650 3.720 0 40 GHAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(CC(F)(F)F)C(=O)C1 585082938 XHQZWCYERZIGAY-UHFFFAOYSA-N 391.821 3.703 0 40 GHAB Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3nonc3C)C2)n1 257321078 VZZUWAAAHQUKAV-OAHLLOKOSA-N 395.438 3.984 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)NCCCCCCNC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 254590855 ZGNMFAMKAOVBEO-UAFMIMERSA-N 394.604 3.922 0 40 GHAB CCn1cc(CN2CCO[C@@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)cn1 257315888 VDDZSUNTCZFARQ-GOSISDBHSA-N 398.536 3.688 0 40 GHAB CCN(CC)CCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 43686924 ZDYOTSXHVRCDHA-UHFFFAOYSA-N 380.444 3.766 0 40 GHAB CCCCC[C@]1(O)CCN(C(=O)c2cccnc2)C[C@@H]1Oc1cccc(F)c1 257216824 CWFXVSNODISSSL-UNMCSNQZSA-N 386.467 3.826 0 40 GHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccncc2)S1 260781603 UAQUQCMOTDNAQC-CDHQVMDDSA-N 375.501 3.916 0 40 GHAB COc1cccc2cc(C(=O)NCCc3nc(-c4cccs4)cn3C)oc12 90606960 BFPMKKCGGFWEPG-UHFFFAOYSA-N 381.457 3.876 0 40 GHAB O=C(CCc1ccon1)N1CCCC[C@H]1Cc1cccc(Br)c1 616386712 ZTFNEWDOKJTNNI-KRWDZBQOSA-N 377.282 3.994 0 40 GHAB COc1cc(OC)c2c(c1)N(C(=O)c1nc(O)c3ccccc3c1C)CCC2 628701859 GSTGDLCQJSYCJN-UHFFFAOYSA-N 378.428 3.859 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96099525 CKZNASMOANRWOM-BQYQJAHWSA-N 393.892 3.552 0 40 GHAB Cc1cc(=Nc2ccccn2)[nH]c([C@@H]2CCCCN2C(=O)/C=C/c2ccco2)n1 585292834 SQEFUWNRHNMPBC-ZGKFYVQTSA-N 389.459 3.706 0 40 GHAB C[C@H](NC(=O)NCc1ccc(CN2CCc3ccccc32)cc1)c1nccn1C 660333429 AETQCYHEMDPTBM-KRWDZBQOSA-N 389.503 3.543 0 40 GHAB NC(=O)c1csc(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)c1 56116250 OWPLQRIVSNVYGJ-OAHLLOKOSA-N 393.306 3.881 0 40 GHAB COc1ccccc1CN1CCC(c2cc(O)nc(-c3cccnc3)n2)CC1 72392745 YAORQIMNBYVOFY-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CCc2cc(O)no2)N1c1cccc(F)c1 1615158029 PMZSVGFQHRYBOX-ROUUACIJSA-N 387.455 3.500 0 40 GHAB Cc1ccc2nc3c(cc2c1)CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H](C)O3 12115610 FEEUXHCBJAIGBO-AWEZNQCLSA-N 376.412 3.582 0 40 GHAB C[C@H](C(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1)c1ccccc1 12129531 CTMVEMXFQHQTIV-FUHWJXTLSA-N 393.512 3.939 0 40 GHAB Cc1ccc(NC(=O)CCn2cnc3c([nH]c4ccc(F)cc43)c2=O)cc1C 14001158 BTCFGTSEFIUJHS-UHFFFAOYSA-N 378.407 3.663 0 40 GHAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 14861910 MLHQPGQBRMJJAT-UHFFFAOYSA-N 395.422 3.648 0 40 GHAB O=C(N[C@@H](Cc1ccsc1)c1cccnc1)[C@H]1CSC(c2ccncc2)=N1 19338024 NRRSFCKSSPZGQV-ZWKOTPCHSA-N 394.525 3.500 0 40 GHAB O=C(c1cn2cc(Cl)ccc2n1)N1CCN(c2nc3ccccc3s2)CC1 19660764 RLOVSNBKHRQIDE-UHFFFAOYSA-N 397.891 3.560 0 40 GHAB CCc1ncc(CN2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2F)cn1 19713868 BQMGBPURWWVIPI-RTWAWAEBSA-N 396.510 3.724 0 40 GHAB CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC 5367228 NIIJJISQEZFEFE-VFULBBGFSA-N 389.492 3.734 0 40 GHAB O=S(=O)(c1ccc(F)cc1)N1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21 19373900 MEQOSOGHKBTHKO-NJDAHSKKSA-N 388.508 3.515 0 40 GHAB O=C(CCn1ccnc1)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 19347909 BJDYFNVVJCXHTM-UHFFFAOYSA-N 398.526 3.505 0 40 GHAB Fc1ccccc1-c1nnc(SC[C@@H]2CCOCO2)n1Cc1ccccc1 4244416 SBRXGNSFLSDUJO-INIZCTEOSA-N 385.464 3.988 0 40 GHAB CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 6379422 YPLKBTPQXNKOMW-QBFSEMIESA-N 378.453 3.686 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 1888914769 YHFNIFOCMOBZQB-OKILXGFUSA-N 385.393 3.616 0 40 GHAB CCOc1ccccc1OCC(=O)Nc1c2c(nn1-c1ccccc1)CCC2 22088343 LIKJQPCIGXCYEL-UHFFFAOYSA-N 377.444 3.777 0 40 GHAB CC(=O)c1ccc(OC[C@@H](O)CN(Cc2ccccc2)Cc2ccco2)cc1 25661458 NNFQAOVMRRIKGL-NRFANRHFSA-N 379.456 3.924 0 40 GHAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1cc2ccccc2oc1=O 238840624 HTKGFPAAWBNGEM-FQEVSTJZSA-N 397.477 3.582 0 40 GHAB Cc1ncsc1CN1CC[C@H]2NC(=O)COc3ccccc3CCCC[C@H]2C1 2037843713 FQMPKOIMWVBVEH-RBUKOAKNSA-N 399.560 3.564 0 40 GHAB Cc1ccc(OC[C@@]2(O)CN([C@H]3CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)cc1 2037949771 ANZKMEJCLVKJIS-YDWJEQILSA-N 375.553 3.776 0 40 GHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 5154211 JZEUKXLVORIHRV-UHFFFAOYSA-N 390.892 3.675 0 40 GHAB COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 13881549 AGGPYWIWCMQUBN-GZTJUZNOSA-N 382.441 3.679 0 40 GHAB COc1ccc(OCC(=O)NCc2cc(-c3cc4ccccc4o3)on2)cc1 22768751 BSDRDLGSOBXNLS-UHFFFAOYSA-N 378.384 3.792 0 40 GHAB Cc1nc(C)c(CN2CCN(c3ccc(-c4ccccc4C)nn3)CC2)s1 1775974915 WZYLPFTYZIYAIY-UHFFFAOYSA-N 379.533 3.848 0 40 GHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1c(F)cccc1F 1775979145 ZPQYKVXZTOWJED-MRXNPFEDSA-N 395.452 3.705 0 40 GHAB CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(F)cc(F)c21 100909311 BJZGMHLTOKTQHN-QOCHGBHMSA-N 386.379 3.848 0 40 GHAB O=C(CN1CCC(COc2ccncc2Cl)CC1)Nc1ccc(F)cc1 2298125784 LOTHQIHVHKRKNR-UHFFFAOYSA-N 377.847 3.604 0 40 GHAB COc1cccc(CN[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c1 19285174 WQUFVJLSOHQKCE-OAQYLSRUSA-N 388.471 3.642 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)c3cnc4c(c3)c(C)nn4C)ccc2s1 40082400 IGXFYPGRMMRRMQ-UHFFFAOYSA-N 394.456 3.920 0 40 GHAB CCOc1cc2c(cc1CNC(=O)CC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)O[C@H](C)C2 100688109 FSGSJCVQFMZNHF-QZNMPKTDSA-N 399.531 3.746 0 40 GHAB O=C1N(Cc2cccc(Cl)c2)c2ccccc2[C@@]12CC(O)=Nc1[nH]ncc12 20728308 NKZDHINZWLPHBM-HXUWFJFHSA-N 378.819 3.888 0 40 GHAB COc1ccc(OCCOC(=O)CCc2nnc(-c3ccc(C)cc3)o2)cc1 32777474 SVXOOPTVNDJJTI-UHFFFAOYSA-N 382.416 3.608 0 40 GHAB CCOC(=O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(C)C)[C@H]3C2=O)ccc1Cl 1112525 XEDHQPKGHYCFHA-WVMBZCLNSA-N 385.847 3.775 0 40 GHAB Cc1ccc2cc(CN(C(=S)NC[C@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1 1224242 PWFSLUXMTUUVSK-LJQANCHMSA-N 399.560 3.635 0 40 GHAB COc1ccc2cc(CN(C(=O)c3cccnc3)C3CCCC3)c(=O)[nH]c2c1 1366611 FGJHGVZVFWQVLQ-UHFFFAOYSA-N 377.444 3.517 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)cc1 1380469 ZZOMVAXRUWLBDH-UHFFFAOYSA-N 398.532 3.755 0 40 GHAB C[C@@H](NC(=O)c1cccc(Cl)c1)c1cc(F)ccc1N1CCC(O)CC1 78996290 VFRRAHAOFFXZMW-CYBMUJFWSA-N 376.859 3.931 0 40 GHAB CCN(CC)C[C@@H](C)NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1 2781422 LOQZNDKZCIHQDX-LLVKDONJSA-N 394.869 3.669 0 40 GHAB CCn1c(C)[n+](CC)c2ccc(C(=O)OC(C(F)(F)F)C(F)(F)F)cc21 3106832 PRWAVOKPEDZHIW-UHFFFAOYSA-N 383.312 3.927 0 40 GHAB CCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(C)c1 4500493 PLPRZGRTRASZGI-UHFFFAOYSA-N 380.517 3.785 0 40 GHAB COc1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)cn1 52934922 ZNQYRALGFGAOCZ-UHFFFAOYSA-N 380.366 3.796 0 40 GHAB CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 100151636 NDJIUGRAAGKUEC-IECFSIQFSA-N 391.510 3.973 0 40 GHAB O=C1Nc2ccccc2[C@@H]1CCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 101565725 XJVRYRINFSRRGY-HNNXBMFYSA-N 377.419 3.708 0 40 GHAB COc1ccc(CNC(=O)CCc2c(C)nn(-c3ccccc3)c2C)cc1OC 8304196 CDFBEULBMFVTMK-UHFFFAOYSA-N 393.487 3.755 0 40 GHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2ccc(C(C)(C)C)cc2)c2ccccc21 100485413 JCISZJKEEYEBSR-NRFANRHFSA-N 380.488 3.977 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2C)cc1 1297174 PHRSPHVEARSKLF-UHFFFAOYSA-N 395.411 3.604 0 40 GHAB Cc1cnc(NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)s1 24928489 AWASZNGTIUSNAQ-UHFFFAOYSA-N 379.488 3.566 0 40 GHAB CCN(CC)CCn1c(NC(=O)c2cccc3cn[nH]c23)nc2ccccc21 12535527 ACDHXYTWSONLGT-UHFFFAOYSA-N 376.464 3.507 0 40 GHAB O=C(Nc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)C1CC1 12584298 QXCCRIPWURLHOO-UHFFFAOYSA-N 384.379 3.855 0 40 GHAB CC(=O)N1c2ccc(S(=O)(=O)Oc3ccccc3C(F)(F)F)cc2C[C@H]1C 58530347 CJSMORVFWJDSLU-LLVKDONJSA-N 399.390 3.771 0 40 GHAB COC(=O)Cn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc(C)ccc21 100876130 ZRWXFDFFOYXGGV-VZCXRCSSSA-N 397.481 3.535 0 40 GHAB CC(C)C(=O)Nc1nc(CC(=O)N2CCC[C@H]2c2ccc(F)cc2)cs1 44412146 YOPFPYCYYCOHNJ-INIZCTEOSA-N 375.469 3.783 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccsc3)CC2)cc1Cl 22933237 QPBXCGUHWSSTLP-CQSZACIVSA-N 393.940 3.555 0 40 GHAB CC(C)Sc1nc2ccccc2n1CC(=O)NCc1ccc2c(c1)OCO2 12657339 RNWQXSYXBYYSJN-UHFFFAOYSA-N 383.473 3.582 0 40 GHAB CCn1cnnc1-c1cccc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)c1 58309732 JONIWBIQZLKIDQ-MRXNPFEDSA-N 378.480 3.611 0 40 GHAB CC[C@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1 25452635 OZGVMBPQVSFXSN-SFHVURJKSA-N 394.924 3.682 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H](c1ccccc1)C1CC1 10677687 UIMOWTQALZZXQC-KRWDZBQOSA-N 396.306 3.887 0 40 GHAB CSCc1cccc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c1 36389942 QEBKJQVCZMHZBX-QFIPXVFZSA-N 397.588 3.658 0 40 GHAB COc1ccc([C@@H](O)[P@@](=O)(OC(C)C)c2ccc(N(C)C)cc2)c(OC)c1 2361604 HVUKZBBMUHJLSL-DCFHFQCYSA-N 393.420 3.789 0 40 GHAB CC[C@H](CO)Nc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3 2359651 XAROBMPHWQTQAE-CYBMUJFWSA-N 387.505 3.551 0 40 GHAB COc1cc(Cl)c(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1OC 11067875 XUSSHRPGMXSDRK-UHFFFAOYSA-N 388.851 3.665 0 40 GHAB O=C(Nc1ccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1)c1ccco1 11146756 RHGKZHAZLXUMRF-IBGZPJMESA-N 396.830 3.805 0 40 GHAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3CCCCCCC3)C2=O)cc1 12774113 KTJBOGMUSLLZFI-HSZRJFAPSA-N 399.535 3.635 0 40 GHAB CN(CCOc1ccccc1F)S(=O)(=O)c1cccc(Cl)c1Cl 12874060 KFSOISBXGKHXQO-UHFFFAOYSA-N 378.252 3.832 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1cc(OC)c(OC)c(OC)c1)O[C@H](C)C2 12906063 FQGHMCRHQXMQKH-GFCCVEGCSA-N 387.432 3.687 0 40 GHAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1n[nH]c(=O)c2ccccc12 12993366 IEGILYHMZQLOHC-UHFFFAOYSA-N 377.400 3.607 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nc(O)cc1=O 13131702 OGUPAKCVXDEGCG-UHFFFAOYSA-N 395.484 3.757 0 40 GHAB Cc1cc(=O)oc2c3c(cc(OCC(=O)NC4CCCC4)c12)OC(C)(C)CC3 4090031 WHIGBFQMDLGDGT-UHFFFAOYSA-N 385.460 3.643 0 40 GHAB biogenic C[C@H](NC(=O)N[C@H]1CCCc2ccccc21)C(=O)N[C@H]1CCCc2ccccc21 13629845 LHHSMZZWVNOXPL-SSKFGXFMSA-N 391.515 3.946 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3cccc4c3O[C@H](C)[C@@H]4C)cc2)CC1 8721330 DFEDGZZIOADYOC-DLBZAZTESA-N 379.504 3.965 0 40 GHAB O=C(/C=C/c1cccs1)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 306138120 RPQRHZJZKXMSOZ-SGQUHAKNSA-N 379.485 3.586 0 40 GHAB CN(Cc1ccsc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 24383875 VDYXWOZYXJVODV-FQEVSTJZSA-N 378.497 3.748 0 40 GHAB COc1cccc([C@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)c1OC 4519928 XEJVDRVZVCNCQC-OAHLLOKOSA-N 399.830 3.689 0 40 GHAB CCCNC(=O)[C@H]1CN(Cc2ccc(OC)c(SC)c2)c2ccccc2O1 97165659 VLIKPJSTUNYCGL-LJQANCHMSA-N 386.517 3.711 0 40 GHAB Cc1cccc(COc2ccc([C@H](C)NC(=O)N[C@H](C)Cn3cncn3)cc2)c1 69825795 ZZJTZRKPSQWGJK-MSOLQXFVSA-N 393.491 3.614 0 40 GHAB Cn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 4700806 MEWIIUNKNDEBAY-UHFFFAOYSA-N 386.908 3.985 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccc(O)cc2)cc1 6760347 RPNFNJMBJXUZJG-UHFFFAOYSA-N 390.439 3.626 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 5788578 PCZDVSCKWMGMMA-MBNYWOFBSA-N 390.343 3.951 0 40 GHAB COc1ccc(Cl)cc1COC(=O)C1CCN(C(=O)c2ccco2)CC1 18755606 KWHROCGXINKMKU-UHFFFAOYSA-N 377.824 3.537 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2c3c(nc4ccccc24)CCC3)cc1 7119848 QNKQFXVCLFQETH-CQSZACIVSA-N 390.439 3.916 0 40 GHAB COc1c(Cl)cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1Cl 8017331 ZOQAQDVHDOTGPC-QMMMGPOBSA-N 381.215 3.974 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ncnc2sccc12 8040145 RSURRTIZMRPIHV-LLVKDONJSA-N 384.486 3.547 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 9048194 MRCPPSKZWCEUCJ-YOEHRIQHSA-N 394.374 3.794 0 40 GHAB COc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2C2CC2)c1 8232388 RMILZYZAVFMICG-CYBMUJFWSA-N 395.488 3.803 0 40 GHAB Cc1ccccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(Cl)cc1 9236494 BYPSKOKADVOEOX-DLBZAZTESA-N 399.907 3.946 0 40 GHAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cncc4ccccc34)ccc21 96012722 XEUWQQJFHIJUJD-AWEZNQCLSA-N 388.423 3.572 0 40 GHAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)N1CCCCC1 9547646 SPIBJZIAVHKMSM-UHFFFAOYSA-N 379.412 3.557 0 40 GHAB biogenic Fc1ccc(C2(c3nnc(-c4ccc5c(c4)OCCO5)o3)CCOCC2)cc1 71889801 RFZQGBSWFJFYFA-UHFFFAOYSA-N 382.391 3.743 0 40 GHAB O=C(c1ccc(COc2ccccc2)o1)N1CCN(c2ccccc2O)CC1 26525797 FUCSYJPSVIRDTM-UHFFFAOYSA-N 378.428 3.527 0 40 GHAB O=C(c1ccsc1)N1CC[C@@]2(C1)CN(Cc1ccccc1)c1cccnc12 306134427 NMXBEKBKBODTQA-JOCHJYFZSA-N 375.497 3.947 0 40 GHAB Cc1c(NC(=O)CSc2ccc(Br)cc2)cccc1C(N)=O 27244097 WNODCQYQEXCVBA-UHFFFAOYSA-N 379.279 3.587 0 40 GHAB Cc1[nH]c2ccc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)cc2c1C 22766330 KBGXOWXNJSTHBE-UHFFFAOYSA-N 376.460 3.736 0 40 GHAB Cc1cccc([C@H]2C(=O)NCCN2C(=O)c2cc(Cl)c3ccccc3n2)c1 1533795406 ZSIPLLSYVNZQBD-IBGZPJMESA-N 379.847 3.510 0 40 GHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](C1CCCCC1)SCC(O)=N2 79488169 NFGTZAPBENLOEK-CJNGLKHVSA-N 383.539 3.507 0 40 GHAB CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccc(Cl)cc3)nc21 36614369 LWLMSHAAINHSGX-UHFFFAOYSA-N 375.837 3.581 0 40 GHAB COc1cc(OC)cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 218898039 NEWIONKYYGLMHJ-LJQANCHMSA-N 385.460 3.810 0 40 GHAB CCc1nc2cccnc2n1[C@@H]1CCN(C(=O)c2cc3c(OC)cccc3[nH]2)C1 72366024 VQBYJHANKOYNNX-CQSZACIVSA-N 389.459 3.571 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)c1ccc(C)c(C)c1)N(c1ccccc1)S(C)(=O)=O 219087562 SMVXCNHJIBTPRY-XLIONFOSSA-N 388.533 3.725 0 40 GHAB CCc1ccc(N([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 220274868 KYLPYYYAYUEBHJ-QGZVFWFLSA-N 388.533 3.967 0 40 GHAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 222732848 XYRZQTRYZQZELE-QFBILLFUSA-N 398.478 3.686 0 40 GHAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 225604679 CKFWNRYSISQOMZ-UHFFFAOYSA-N 386.517 3.659 0 40 GHAB CCc1ccc(OCCNS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 225165996 UJRSIHBCFLTKCZ-UHFFFAOYSA-N 385.485 3.768 0 40 GHAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(N4CCOCC4)cc3)ccc21 225152604 RWXXGGIQIRATSD-UHFFFAOYSA-N 397.500 3.733 0 40 GHAB CCOc1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 224236664 ORAFYLQLUTULQI-UHFFFAOYSA-N 380.491 3.566 0 40 GHAB CN(Cc1nc(-c2ccccc2)no1)C(=O)COc1cccc2c1CCCC2 224604153 FIRDXLSFQOIHRC-UHFFFAOYSA-N 377.444 3.653 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc2ccccc2oc1=O 40074356 IKZHEPCKODFZLQ-UHFFFAOYSA-N 397.452 3.762 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 223582849 RUNOHBXHVFOBNL-FQEVSTJZSA-N 396.531 3.852 0 40 GHAB O=C(/C=C/c1cccs1)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2 77101193 ADCOBOQJSZMZSC-BQYQJAHWSA-N 381.423 3.808 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccc1CN1CCCC1 224779277 IKJYDIVGTDMGPA-JOCHJYFZSA-N 382.504 3.765 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(F)cc1 222388834 HXRXQZYFMANXGK-MRXNPFEDSA-N 388.508 3.531 0 40 GHAB CCc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)cc1 149804102 BXLAHBAYPSHYAI-UHFFFAOYSA-N 380.897 3.616 0 40 GHAB CCN(CC)C(=O)C[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 96053054 XKBKBCMKNFPQII-SFHVURJKSA-N 378.520 3.761 0 40 GHAB COc1cccc(NC(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2C)c1 96266384 AKIYJPPMPFDUIH-UHFFFAOYSA-N 385.427 3.805 0 40 GHAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc3nc(CC(C)C)[nH]c3c2)n[nH]1 95473816 KKCROKCTBITCST-UHFFFAOYSA-N 391.479 3.754 0 40 GHAB CCc1ccccc1N(CC(=O)Nc1c(CC)cccc1CC)S(C)(=O)=O 243482258 NPGBQYLYEVNFSV-UHFFFAOYSA-N 388.533 3.779 0 40 GHAB CNc1cc([C@@H]2CCCN2C(=O)C(O)(c2ccccc2)c2ccccc2)ccn1 257310562 UFQBCMYXJZGJLT-NRFANRHFSA-N 387.483 3.723 0 40 GHAB CCCn1nc(C)c(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)c1C 257245926 IRRUWXLRSIDFIR-UWJYYQICSA-N 380.540 3.562 0 40 GHAB O=C(Nc1nc(-c2ccco2)cs1)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 253472898 QJSOXOXFNIHQSV-LLVKDONJSA-N 391.836 3.872 0 40 GHAB Cc1cc(C)c2nc(N3CCN(CC(=O)Nc4ccccc4)CC3)sc2c1 1611768170 CYPFWZGFNBVULV-UHFFFAOYSA-N 380.517 3.674 0 40 GHAB O=C(CC(F)(F)F)NC[C@H]1CCCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 627133017 IYZZYNKDRAREEM-KBAYOESNSA-N 396.453 3.878 0 40 GHAB CC(C)NC(=O)c1ccc(NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)cc1 665791813 SPROPDAYDFLOCC-FQEVSTJZSA-N 380.492 3.567 0 40 GHAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)c1F 390826573 ANZLCSDORJLYFK-INIZCTEOSA-N 398.413 3.606 0 40 GHAB COc1cccc(C2(NC(=O)NCc3cccc(C(F)(F)F)n3)CCC2)c1 664986946 OKVKNFZKQSMRMA-UHFFFAOYSA-N 379.382 3.988 0 40 GHAB CCN1CCC[C@@](O)(c2nc(C)c(CCOc3ccc(F)cc3)s2)CC1 19705454 QMRNKDYWPKQTBP-FQEVSTJZSA-N 378.513 3.906 0 40 GHAB CCOC(=O)CCc1ccc(N(C)CCCN(C)C(=O)OC(C)(C)C)cc1 1772715229 BYXOYAAWZSATGB-UHFFFAOYSA-N 378.513 3.876 0 40 GHAB C[C@H](NC(=O)c1ccccc1F)c1nc2cc(-c3ccccc3F)ncn2n1 12085136 YNTXLXYUZAPBQX-LBPRGKRZSA-N 379.370 3.561 0 40 GHAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 14003356 PPXGLWGJCGQFAE-MRXNPFEDSA-N 378.428 3.924 0 40 GHAB COc1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1OC 15582048 NFJSRTJEBRPRLN-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB O=C(NCC1CCCCC1)c1cc([C@H]2CCCN(Cc3cccnc3)C2)no1 19339094 NHFMQUVJRHNPIZ-IBGZPJMESA-N 382.508 3.759 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N[C@@H](C)CCc1ccc(F)cc1)(C3)C2 19455739 LLNDCNSOENWKIA-MTNNANLPSA-N 386.511 3.738 0 40 GHAB CN(C)C1CCC2(CC1)CN(C(=O)CCc1cccnc1)Cc1ccccc1O2 19583902 JLRTWBRXQGTVFF-UHFFFAOYSA-N 393.531 3.678 0 40 GHAB O=C(c1ccc(N2CCCCC2)cc1)N(Cc1ccccn1)C[C@H]1CCCO1 19655095 XWOLMEJXPDIXIT-JOCHJYFZSA-N 379.504 3.893 0 40 GHAB CCc1nn2c(nnc3c(=O)n(-c4ccccc4)ccc32)c1-c1ccc(F)cc1 19962732 KLWAOMPNDCZBNI-UHFFFAOYSA-N 385.402 3.797 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1 6473023 MDNZFEQCIYCLDG-WOJGMQOQSA-N 396.468 3.987 0 40 GHAB COc1ccc(CNC(=O)N2CCC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 1888990288 YBJDQJWDWGXBRZ-OAHLLOKOSA-N 398.488 3.896 0 40 GHAB O=C(NCc1ccccc1)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889191580 YYGMMMPIPPGLHK-WBVHZDCISA-N 390.409 3.521 0 40 GHAB Cc1ccc2c(c1)sc1nc(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)n12 1075194 HEHZBUFIMGGCMG-UHFFFAOYSA-N 378.240 3.675 0 40 GHAB Cc1ccc(-c2nc(CCNC(=O)C(=O)Nc3ccc(F)cc3)cs2)cc1 4570883 PIXSDIBBTXIYNZ-UHFFFAOYSA-N 383.448 3.555 0 40 GHAB CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)CC)c2)sc(C)c1C 5241364 PNEZVKZRUNTKFO-UHFFFAOYSA-N 395.502 3.588 0 40 GHAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCCC3=CCCCC3)cc21 5442184 OVDYJYPTAOSJAP-UHFFFAOYSA-N 397.519 3.567 0 40 GHAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C(C)=O)CC2)cc1 10213821 WAGXSOJYQREHHY-NRFANRHFSA-N 391.471 3.577 0 40 GHAB O=C(CSCc1ccccc1)NCCOc1ccc(-c2ccc(F)cc2)nn1 10509415 GWGHERGCUHGBOT-UHFFFAOYSA-N 397.475 3.711 0 40 GHAB Cc1ccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(C)c43)c2=O)cc1 12414947 PCBFOBDJJKAQBC-UHFFFAOYSA-N 378.457 3.570 0 40 GHAB CCc1ccc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 23211940 DZHJGIQZKCVYOM-HXUWFJFHSA-N 388.939 3.773 0 40 GHAB CCSc1ccccc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38726105 XCVIHQJMGLRVDM-UXHICEINSA-N 394.540 3.887 0 40 GHAB CCOC(=O)c1nn(Cc2cccc(C(F)(F)F)c2)c(=O)c2ccccc12 12410665 FMTCIOFTCNVPQS-UHFFFAOYSA-N 376.334 3.640 0 40 GHAB COc1ccc([C@H](CNC(=O)C2CCOCC2)c2c[nH]c3ccccc23)cc1 22871314 UCNIYBVSAHDREM-FQEVSTJZSA-N 378.472 3.851 0 40 GHAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccccc1-n1cccn1 40115953 MYZDISIEKINTHX-UHFFFAOYSA-N 378.413 3.506 0 40 GHAB COc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccc(F)c(Cl)c1 51357315 FPWDIDSPJAMRLF-UHFFFAOYSA-N 386.206 3.614 0 40 GHAB Cc1c(C(=O)NC2CCC(C)CC2)nnn1-c1ccc(Br)cc1 51317962 MZLTXVBDJCLZCI-UHFFFAOYSA-N 377.286 3.647 0 40 GHAB O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCN(Cc2ccccc2)CC1 20677494 SVPRMEZERUZPMJ-HXUWFJFHSA-N 383.879 3.765 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)cc1OC 20728146 IELYYEHOWZNACH-MRXNPFEDSA-N 392.415 3.739 0 40 GHAB C[C@@H](NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102173124 XQLHWZOQIZDHBW-OSFYFWSMSA-N 381.505 3.539 0 40 GHAB COc1ccc2nc(NC(=O)[C@H](NC(=O)C3CCCCC3)C(C)C)sc2c1 11807013 BAMAOHZQUCPIEE-QGZVFWFLSA-N 389.521 3.965 0 40 GHAB O=C(CS[C@H]1CCc2ccccc2N=C1O)Nc1ccc2c(c1)OCCO2 11865924 NMJDYJVYGWUFIP-SFHVURJKSA-N 384.457 3.733 0 40 GHAB C[C@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)C[C@H](C)O1 11923272 WQYFVXUJSXVRNN-HOTGVXAUSA-N 381.501 3.909 0 40 GHAB COCCn1c(S[C@H](C)C(=O)c2ccc(C)cc2)nc2ccccc2c1=O 2644598 UYRGJVDFYYZHBV-OAHLLOKOSA-N 382.485 3.715 0 40 GHAB O=S(=O)(Nc1ncn(Cc2cccc(Cl)c2)n1)c1ccc2ccccc2c1 2776796 NBMXOGLFZUTUND-UHFFFAOYSA-N 398.875 3.934 0 40 GHAB Cc1cccc(OCC(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c1 6234424 ZSHPKASUFHQTEL-UHFFFAOYSA-N 385.272 3.899 0 40 GHAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(Br)c2)n2ncnc2N1 6593636 WTDZCLYEXSZDCW-OAHLLOKOSA-N 391.269 3.673 0 40 GHAB Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 6845378 BQFVLINDQCUNCQ-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB CC(C)c1ccc(CCNC(=O)COC(=O)c2cn(C)c3ccccc23)cc1 7104092 AJPYQHAHPBDCCM-UHFFFAOYSA-N 378.472 3.817 0 40 GHAB Cc1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2)cc1 7307148 IUUVSZLLNKRTNB-JOCHJYFZSA-N 395.480 3.834 0 40 GHAB CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 8276728 SORXXBJMOKSSJS-UHFFFAOYSA-N 388.533 3.851 0 40 GHAB O=C(COC(=O)c1ccc(Cl)cc1)NCc1cccc(Br)c1 51356309 ZFMMORJOAHSUQH-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB 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CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)cc1 51315630 RVIZQCUVYMFBCG-UHFFFAOYSA-N 395.415 3.523 0 40 GHAB NC(=O)c1ccsc1NC(=O)CNC1(c2ccc(Cl)cc2)CCCCC1 58162520 HCMTYODHVBRHBG-UHFFFAOYSA-N 391.924 3.888 0 40 GHAB CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 2152110 JJMACYHXGLLIDM-GOSISDBHSA-N 395.411 3.712 0 40 GHAB biogenic C[C@@H](NCc1cccc(OCc2ccccn2)c1)c1nnc2n1CCCCC2 69419559 RYBJICUSKUMMIC-QGZVFWFLSA-N 377.492 3.829 0 40 GHAB CCN(C(=O)[C@@H](C)S(=O)(=O)Cc1ccc(F)cc1Cl)c1ccccc1 36396436 JTWJTWRKPDKFSN-CYBMUJFWSA-N 383.872 3.836 0 40 GHAB CCCOc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1OC 408847335 VCGIDXJFXJVINU-NDENLUEZSA-N 394.496 3.871 0 40 GHAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2ccc(F)cc2F)cc1 12783674 RDRPLAQKBKIPBL-GFCCVEGCSA-N 388.443 3.698 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C2CC2)[C@H](C)C(C)C)c1 48332772 QAVAUTCLTXSDAV-CQSZACIVSA-N 384.517 3.505 0 40 GHAB Cc1sc(NC(=O)C2=COCCO2)nc1-c1ccc(Br)cc1 12853680 YETRCHZZHCBLSM-UHFFFAOYSA-N 381.251 3.708 0 40 GHAB 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GHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1 216255594 MAEMBENVHHLQPO-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB Cc1csc(-c2cccc(NC(=O)CCn3c(=O)n(C)c4ccccc43)c2)n1 523998091 XKHDEZGTDHKNIT-UHFFFAOYSA-N 392.484 3.801 0 40 GHAB Cc1cccc(Nc2ccc([C@@H]3CCCN(C(=O)c4cn(C)nc4C)C3)nc2)n1 72353336 FNYCFGGWLQMXOM-QGZVFWFLSA-N 390.491 3.590 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1 38755996 XZPQOLDNNPEIJY-UHFFFAOYSA-N 377.224 3.756 0 40 GHAB COc1cccc(-n2ccn3c(SCc4cccc(Cl)c4)nnc3c2=O)c1 64593648 LVJVVOCNJIGXFW-UHFFFAOYSA-N 398.875 3.835 0 40 GHAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NC[C@H]1CCCO1 36182102 CDUNCZJZHUEKON-GOSISDBHSA-N 379.485 3.710 0 40 GHAB CCn1nccc1-c1cc(NCCCc2ccc(OC)c(OC)c2)nc(C)n1 72373279 NYAVXKYJAGZQOM-UHFFFAOYSA-N 381.480 3.730 0 40 GHAB CN(C)c1cccc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)c1 38518963 QAUDDLQJXKJMJZ-UHFFFAOYSA-N 394.450 3.962 0 40 GHAB Cc1ccc2c(n1)N(C)[C@@H](c1ccc(NC(=O)C3CCCCC3)cc1)NC2=O 72341186 WECXZDKJLYXUJB-IBGZPJMESA-N 378.476 3.787 0 40 GHAB 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COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 136533797 CJHMJELPAQJARP-CALCHBBNSA-N 378.428 3.627 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)S(=O)(=O)Cc1ccccc1C(F)(F)F 40105984 GEMHHPVBFHHPKK-IOASZLSFSA-N 391.455 3.704 0 40 GHAB COc1cc(C(=O)NCc2ccnc(-c3cccs3)c2)cc(OC)c1OC 225651254 SUJOHPANAYQQKZ-UHFFFAOYSA-N 384.457 3.766 0 40 GHAB CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 223340399 CEHGKPDFTXRABO-HSZRJFAPSA-N 387.483 3.878 0 40 GHAB CC[C@@H](NC(=O)C(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)OCCCO2 96325026 VODUPCGVBKXNFX-QGZVFWFLSA-N 378.428 3.779 0 40 GHAB COc1cc2c(cc1Oc1c(O)c(OC)cc3c1[C@H](C)NCC3)[C@H](C)N(C)CC2 245241157 YEMKSFIYOHUWLM-KBPBESRZSA-N 398.503 3.957 0 40 GHAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1sc(-c2ccccn2)nc1C 257255256 KGUOEDMPAHNLOX-UWJYYQICSA-N 398.532 3.519 0 40 GHAB CC(C)(Oc1ccc(F)cc1)C(=O)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1 257199797 AAVPWIRNXLELSD-XPGWFJOJSA-N 384.451 3.694 0 40 GHAB CN(CC(=O)O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 263509693 XDWGEILXXSNMQW-SFHVURJKSA-N 397.475 3.882 0 40 GHAB Cc1ncc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)o1 628162257 JHFGBYJMACMWSO-UHFFFAOYSA-N 378.270 3.596 0 40 GHAB C[C@@H]1CN(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CC[C@@H]1C(=O)O 630555653 FXMMNOQYDPYZKT-MFKMUULPSA-N 395.431 3.587 0 40 GHAB O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)Nc1cnn(CCO)c1 601197146 QZFZNIJXCHKPGV-UHFFFAOYSA-N 386.839 3.752 0 40 GHAB CN1CCC[C@H](CNC(=O)N[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)[C@H]1c1cccs1 664214217 WBVQMAARQCXDHX-WWURCJJOSA-N 399.535 3.908 0 40 GHAB O=C(N[C@@H](CO)c1nc(-c2ccccc2)no1)c1ccc2c(c1)Cc1ccccc1-2 672047094 SSRBETHLGFZLRF-NRFANRHFSA-N 397.434 3.771 0 40 GHAB O=C(NCC1(c2cccs2)CCCC1)c1ccccc1S(=O)(=O)C(F)F 96120209 KJTXVMPUWIFHIQ-UHFFFAOYSA-N 399.484 3.986 0 40 GHAB O=C(NC[C@@H](C[C@H]1CCOC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 685944993 NFNSQJCGCBLTDW-HZPDHXFCSA-N 395.455 3.653 0 40 GHAB O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1cc2c(s1)CCCCC2 63323982 RGDMBARUZYTKAP-UHFFFAOYSA-N 382.485 3.918 0 40 GHAB O=C(/C=C/c1ccccc1)Oc1cccc(C(=O)N=c2[nH]c3ccccc3[nH]2)c1 682257 FHLYISCTPZSLQA-BUHFOSPRSA-N 383.407 3.856 0 40 GHAB COc1cc(CCC(=O)N[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)on1 12145626 UCPDKMQLNPMJTF-IBGZPJMESA-N 394.475 3.612 0 40 GHAB CCCCOc1ccc(C(=O)NCC(=O)N[C@H](C)CCc2ccccc2)cc1 12805252 OXEMWRXJSBFZFT-GOSISDBHSA-N 382.504 3.733 0 40 GHAB Cc1nc2c(=O)n(CC(=O)c3ccc(Cl)cc3)nc(-c3ccco3)c2s1 13010597 JBSCCDFQGPITBQ-UHFFFAOYSA-N 385.832 3.958 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCC(=O)c1ccc(F)cc1 13019193 ZMOTUXMFTPVJQN-UHFFFAOYSA-N 392.377 3.554 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSCc1cccc(C)c1 14587114 XRZQFJAHJPOMFI-UHFFFAOYSA-N 389.473 3.671 0 40 GHAB CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)C[C@H]3C=CCC3)CC2)n1 19525814 OHTODUKVRRMLMS-INIZCTEOSA-N 379.508 3.882 0 40 GHAB COc1ccc(C2(CNC(=O)c3cccc(Cn4cncn4)c3)CCCC2)cc1 19553785 LCKKEWRCXAWMNA-UHFFFAOYSA-N 390.487 3.577 0 40 GHAB CC[C@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 19947458 TUUTVGRXQQZCNA-SFHVURJKSA-N 388.533 3.722 0 40 GHAB Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c1C 206659435 IMERZWGFLTUWBX-USNOLKROSA-N 386.451 3.867 0 40 GHAB COc1cc(NC(=O)c2ccccc2Br)cc2sc(N)nc12 226309933 QCOWRNUIDZQFIJ-UHFFFAOYSA-N 378.251 3.902 0 40 GHAB CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)c1ccccc1F)c1ccccc1O2 12086486 KRQDLQKVUZKODH-WMZHIEFXSA-N 396.462 3.851 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)c(C)c1 36185795 UGHMYVUMQHZBNZ-UHFFFAOYSA-N 378.428 3.521 0 40 GHAB O=C(c1ccc2ncsc2c1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1888914024 HLBKBQFXLLCICG-UHFFFAOYSA-N 379.363 3.614 0 40 GHAB O=c1c2ccc(F)cc2ncn1CC1CCN(Cc2cc(F)cc(F)c2)CC1 1889036833 XSVWANTYGITUCF-UHFFFAOYSA-N 387.405 3.726 0 40 GHAB COc1cnc(OC2CCN(Cc3csc(-c4ccccc4)n3)CC2)nc1 1141215053 UANKJFLWCWUPQI-UHFFFAOYSA-N 382.489 3.652 0 40 GHAB O=C(CCc1ccc(C(F)(F)F)cc1)N[C@H](Cn1nccn1)c1ccccc1 245053533 OYQRXPHXULTTPX-GOSISDBHSA-N 388.393 3.787 0 40 GHAB O=C(OCc1ccccc1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 100079749 XXYQWZDFBGGFJB-CPLUKWAASA-N 375.424 3.579 0 40 GHAB COc1ccc(CC(=O)NCCSc2ncc(-c3ccc(OC)cc3)[nH]2)cc1 4315481 ZYBPVFMJUUHRDD-UHFFFAOYSA-N 397.500 3.545 0 40 GHAB Cc1cc2nc(N(CCN(C)C)C(=O)COc3ccccc3)sc2cc1C 5152627 QUDCIBUIYIMHOS-UHFFFAOYSA-N 383.517 3.887 0 40 GHAB COc1cccc(-c2cc(=O)n(CC(=O)Nc3c(C)cccc3Cl)c(C)n2)c1 1775966972 YOKCOWRNOGOTMF-UHFFFAOYSA-N 397.862 3.828 0 40 GHAB COc1cc2s/c(=N\C(=O)c3nc4ccccc4s3)n(C)c2cc1OC 101035642 QSJVQMNIOJWZDV-ZZEZOPTASA-N 385.470 3.608 0 40 GHAB Cc1cc(OC2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(=O)n1C 585326565 YMCJEZNNHWPWGT-UHFFFAOYSA-N 382.504 3.675 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)c(C)c1 6843942 JPPKZPUOUCMVMR-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)[C@H]1CC(=O)N(c2ccccc2F)C1 40087149 HXEJIMDGQSVZOG-ZDUSSCGKSA-N 396.447 3.666 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@@H]3CCCOC3)[C@@H]2c2cccs2)cc1 40156937 OFZRQMQGOOSIRV-DJPFJPOOSA-N 398.528 3.694 0 40 GHAB O=C(Cn1nnc2ccccc21)Nc1ccccc1N1CCc2sccc2C1 40134147 RQSHIKOKXYVZOQ-UHFFFAOYSA-N 389.484 3.694 0 40 GHAB Cc1ccc(-n2c3c(c(=O)[nH]c2=S)CN(CCc2ccccc2)CN3)cc1 20567608 GMQHFYRYCPLHJE-UHFFFAOYSA-N 378.501 3.631 0 40 GHAB CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C)cc4)CC3)n[nH]2)cc1 51315733 WVFJBXCOKRNFTQ-UHFFFAOYSA-N 390.487 3.746 0 40 GHAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 101605308 XIUULMIBXOXSRF-JQEKZKEHSA-N 395.842 3.707 0 40 GHAB Cc1cc(C(=O)CSc2ncccn2)c(C)n1C[C@@H]1COc2ccccc2O1 2637508 PZDJUKOVIKTIQU-MRXNPFEDSA-N 395.484 3.710 0 40 GHAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 872583 RMDVAHSAUWKHLA-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB O=C(CNC(=O)c1ccc2ccccc2c1)Nc1ccc(Oc2cnccn2)cc1 46723870 QFISEOMYIVAFEK-UHFFFAOYSA-N 398.422 3.791 0 40 GHAB O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)[C@@H]1COc2ccccc2O1 69961460 HUGGBGGNNBGSGT-QAPCUYQASA-N 375.371 3.622 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1cccnc1 1361261 KJEBXGHRVRAWBO-UHFFFAOYSA-N 397.504 3.880 0 40 GHAB O=C(Nc1ccccc1F)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3229443 POHBCDPDJLZERD-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2c3c(nc4ccc(C)cc24)CCCC3)C1 33005280 ISKWIGFRZIPCQM-INIZCTEOSA-N 380.488 3.837 0 40 GHAB CN(c1ccc(C(=O)NC(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 6159244 HCCXSVUUNLVVOG-UHFFFAOYSA-N 380.897 3.693 0 40 GHAB CC[C@H](C(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC)c1ccccc1 2736698 OINZGOWNWHVIRZ-ZDUSSCGKSA-N 375.446 3.762 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N3C[C@H](C)C[C@@H](C)C3)o2)cc1 10045047 NYXVRPUQOLNKCG-IAGOWNOFSA-N 384.476 3.630 0 40 GHAB COC(=O)c1c(NC(=O)c2cccc(OC)c2OC)sc2c1CC[C@@H](C)C2 651914 KZUJSPAWECAZON-LLVKDONJSA-N 389.473 3.929 0 40 GHAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCC2(c3ccccc3)CCCC2)C1=O 8983503 CFSSQCAWZLMRDX-SFHVURJKSA-N 392.499 3.819 0 40 GHAB COc1ccc(-c2cc(-c3nn4c(-c5ccncc5)nnc4s3)no2)cc1 12322147 XYRIKMMSBHIHKM-UHFFFAOYSA-N 376.401 3.578 0 40 GHAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)CC 12389301 XNYYVAWKJVFOEH-UHFFFAOYSA-N 378.494 3.705 0 40 GHAB Cc1nn(CN2CCN(Cc3cccc4ccccc34)CC2)c(=O)c2ccccc12 23255780 IXNXZOVWTHYZQX-UHFFFAOYSA-N 398.510 3.633 0 40 GHAB COc1cccc(CCCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 9062603 QWMDNXGMYYSCNH-UHFFFAOYSA-N 380.532 3.965 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1C 1096558 MJMMDGHZFZSDAL-UHFFFAOYSA-N 376.497 3.570 0 40 GHAB Cc1noc(C)c1COc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1 24083850 KZHFSMQYJIPLPR-UHFFFAOYSA-N 393.487 3.862 0 40 GHAB O=C(Nc1ccc(N2CCNC2=O)cc1)c1cccnc1SC1CCCC1 54833926 JRMFQQCYBVAJRO-UHFFFAOYSA-N 382.489 3.898 0 40 GHAB O=C(NC(=S)Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2ccccc2)cc1 20152192 XKRAVZGKFUZPLP-UHFFFAOYSA-N 392.436 3.884 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1ccc(F)cc1Br)c1cccs1 25196876 AJSHHUGCJPWFLD-GFCCVEGCSA-N 386.242 3.684 0 40 GHAB COc1cc(NC(=O)COC(=O)/C=C/c2ccccc2Cl)cc(OC)c1 3264211 USMFYGVQQHCJMK-BQYQJAHWSA-N 375.808 3.552 0 40 GHAB CCOC(=O)[C@H](NC1CCN(c2ccc(CC)cc2)CC1)c1cccc(O)c1 97102666 NTIWUPPMKYFGKW-JOCHJYFZSA-N 382.504 3.817 0 40 GHAB COc1ccc(OC)c(NC(=O)c2c(C)oc3ncn(C4CCCC4)c(=O)c23)c1 35672156 IYMSKJQQGMEHSJ-UHFFFAOYSA-N 397.431 3.683 0 40 GHAB CCn1nc(C)c2c(C(=O)Nc3ccn(Cc4ccccc4F)n3)cc(C)nc21 28243835 BBWMVHFFWQZQLL-UHFFFAOYSA-N 392.438 3.704 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cn1 27587908 OHTPPBUXILBTQJ-UHFFFAOYSA-N 391.674 3.697 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 103718892 ARTLUDBIAKKFKT-AWEZNQCLSA-N 385.851 3.598 0 40 GHAB O=C(Nc1ccc(Cl)cc1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 27662972 RCYLLMFVGPCJBA-AWEZNQCLSA-N 384.910 3.623 0 40 GHAB COc1ccc(CC(=O)Nc2nonc2-c2ccc(OCC(C)C)cc2)cc1 27664097 MUFPVKAVCWXVOB-UHFFFAOYSA-N 381.432 3.961 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)N[C@H](C)CC[C@H]2CCCO2)no1 58217854 XKEMPPHKUSIBKU-CZUORRHYSA-N 375.494 3.748 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 48253340 WVSAIGWZYRQYAE-GOSISDBHSA-N 376.460 3.511 0 40 GHAB Cc1ccc(NC2CCN(C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)cc1 58315579 NPOICWOSWYSELS-UHFFFAOYSA-N 387.505 3.507 0 40 GHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(S(C)(=O)=O)ccc1C 58414429 ATSFFKBLHKNQOS-UHFFFAOYSA-N 397.456 3.542 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 113960483 QPJIUFRDADJITK-LJQANCHMSA-N 379.460 3.589 0 40 GHAB C[C@@H](O)CNCCNCc1cc(Cl)ccc1OCc1ccccc1Cl 22075810 SYPSYSMYCFFQQI-CQSZACIVSA-N 383.319 3.632 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)C1=Cc2ccccc2CC1 45411256 AFKCVGQWPRFFGY-INIZCTEOSA-N 394.500 3.577 0 40 GHAB Cc1c(C(=O)N(C)C)sc2nc(Cc3ccc(Cl)cc3Cl)[nH]c(=O)c12 3342399 YMTCYQYFMLZQFU-UHFFFAOYSA-N 396.299 3.892 0 40 GHAB COc1ccccc1CC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 11450706 DOLJBCXXHVTECB-UHFFFAOYSA-N 393.468 3.885 0 40 GHAB C[C@H]1c2cccn2CCN1CC(=O)Nc1ccc(Br)cc1Cl 12773206 JTGQJHPBEDTTRZ-NSHDSACASA-N 382.689 3.919 0 40 GHAB COc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c(OC)c1OC 12773168 QFSLFGINXFYWRD-UHFFFAOYSA-N 387.476 3.819 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)CC2=O)cc1 12799538 XPYGGZYXZAJSLO-WNZYQOIOSA-N 380.532 3.935 0 40 GHAB CC(C)c1ccc(CN(C(=O)Cn2nnc(-c3cccs3)n2)C2CC2)cc1 12846370 IKMLBBYIPHLOPT-UHFFFAOYSA-N 381.505 3.716 0 40 GHAB CC[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(Br)cc1 12819182 JIBDEXYPKCNKSK-CQSZACIVSA-N 389.249 3.661 0 40 GHAB COc1ccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1Cl 3472291 HJEWZEZSVCIFKA-UHFFFAOYSA-N 379.840 3.946 0 40 GHAB CCN(C(=O)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O)c1ccccc1 13102481 ZKVAUVMZDKPEHS-NRFANRHFSA-N 399.878 3.550 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1)c1ccccc1 13691878 XNYMHKJZBILICW-IEBWSBKVSA-N 389.499 3.826 0 40 GHAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCC(c2nc3ccccc3s2)CC1 13655170 SKGKOUJNHURVSC-INIZCTEOSA-N 389.521 3.773 0 40 GHAB CCCCn1c(CSc2nc(C)cs2)nc2cc(S(N)(=O)=O)ccc21 5093652 ASBXTFLBKXFALK-UHFFFAOYSA-N 396.563 3.541 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cccc(F)c1 13956454 OWNZDIUPZUPIQY-UHFFFAOYSA-N 378.379 3.630 0 40 GHAB CCN(C)c1cccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)c1 65492825 YPERIWVURDKUGS-UHFFFAOYSA-N 396.878 3.903 0 40 GHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1 65621627 BIMPPBRMARZGCD-YMQDBVEKSA-N 380.488 3.936 0 40 GHAB COc1ccc(OCC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 6505824 COWSXAJLTFQCQS-SFHVURJKSA-N 385.489 3.561 0 40 GHAB CCCCOc1ccc(N[C@@](NC(=O)CC)(C(=O)OCC)C(F)(F)F)cc1 4794330 PTLFTAYHPGUVHC-QGZVFWFLSA-N 390.402 3.625 0 40 GHAB C[C@H](c1ccc(Cl)cc1)n1c(Cn2ncc3ccccc3c2=O)n[nH]c1=S 6719634 ZHABJSYLGZNAKP-GFCCVEGCSA-N 397.891 3.962 0 40 GHAB CCCSc1ncc(Cl)c(C(=O)Nc2nnc(SCC)s2)n1 6810535 RUJRQZQJTUSCPA-UHFFFAOYSA-N 375.932 3.848 0 40 GHAB Cc1cc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)ccc1F 67298805 RVLKXEYDGDBXSM-JUZPYSENSA-N 396.418 3.727 0 40 GHAB CCC(=O)N(c1nnc(SCc2nnc(-c3ccccc3)o2)s1)C1CC1 7672968 UJAKMEMRDSYNET-UHFFFAOYSA-N 387.490 3.786 0 40 GHAB Cc1ccc2cc(CN(CC(C)C)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 9488545 CZMLEDCRYDEUBO-UHFFFAOYSA-N 384.501 3.683 0 40 GHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1nnc2ccccn12 18124341 YUABMVQTUHFEMU-UHFFFAOYSA-N 383.864 3.745 0 40 GHAB C[S@@](=O)Cc1c(C(=O)NCCSCc2ccccc2)oc2ccccc12 72295259 FMZOYEDZHWHKMH-SANMLTNESA-N 387.526 3.975 0 40 GHAB CC(C)Cn1ncc(NC(=O)C(=O)Nc2cccc3cccnc23)c1C(C)C 95455048 ZRIJZYZVILDEEE-UHFFFAOYSA-N 379.464 3.788 0 40 GHAB CCOc1cc(C(=O)Nc2ccc(CCO)cc2)ccc1OCc1cccnc1 95964708 DTVLHIRBIFLOFR-UHFFFAOYSA-N 392.455 3.846 0 40 GHAB C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 89448770 BMBIINPKHHNGLJ-YYWHXJBOSA-N 386.536 3.716 0 40 GHAB CCOc1c(Br)cc(/C=C2/SC(=O)N(CC)C2=O)cc1OC 409064755 FDHBSGDWSTUKGB-XYOKQWHBSA-N 386.267 3.913 0 40 GHAB Cc1cccc(CN2CCC[C@@]3(CN(Cc4ccco4)CC(F)(F)C3)C2=O)n1 306129894 IPUCNHAKJLPCGJ-HXUWFJFHSA-N 389.446 3.633 0 40 GHAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)NCc4cccc(Cl)c4)cnc3c2c1 35423935 AKKQCNKNQYZNOI-UHFFFAOYSA-N 394.862 3.546 0 40 GHAB COc1ccccc1[C@@H]1CC(=O)Nc2c(C(=O)O)cn(-c3cc(F)cc(F)c3)c21 61719062 RYCNCLSWTYQXTG-HNNXBMFYSA-N 398.365 3.936 0 40 GHAB Cc1cc(-c2cncnc2C2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)on1 72351170 OPQIKJMIWLFZLF-UHFFFAOYSA-N 391.475 3.526 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H](c3nccnc3Oc3cccnc3C)C2)cn1 72384105 WXAVLDIOPJVBLL-SFHVURJKSA-N 389.459 3.696 0 40 GHAB COc1cccc(OC)c1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72221457 MCFCLRQIILVZID-KRWDZBQOSA-N 375.490 3.928 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1cccc2ccccc12 70636128 NHYXCWXYVDORPB-SFHVURJKSA-N 375.877 3.814 0 40 GHAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2CC(=O)N2CCCC2)n1 72376837 WJNSKJDZNVRYPC-SFHVURJKSA-N 399.926 3.529 0 40 GHAB COc1ccc(-c2cc(-c3nn4c(-c5ccsc5)nnc4s3)n[nH]2)cc1 66087735 RIKBQPACQANZIC-UHFFFAOYSA-N 380.458 3.980 0 40 GHAB O=C1C[C@H](C(=O)Nc2ccc(F)cc2)n2ncc(-c3ccc(Cl)cc3)c2N1 35685226 IOVZURSFWSEJMA-MRXNPFEDSA-N 384.798 3.865 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 219569773 IFPPQXOLFMWRML-KRWDZBQOSA-N 395.459 3.870 0 40 GHAB O=C(NCc1ccc(F)cc1C(F)(F)F)C1CCN([C@@H]2CCSC2)CC1 561144607 JPWVKFDXAMJROA-OAHLLOKOSA-N 390.446 3.678 0 40 GHAB COC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 224036410 RRGXXEOYKMMDNX-UHFFFAOYSA-N 377.462 3.714 0 40 GHAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1C 225423104 WVOMYOSGWYADTA-NRFANRHFSA-N 396.531 3.750 0 40 GHAB COc1cc(N2CCCCCC2)nc(NC(=S)NC2CCCCCC2)n1 226009703 PQPPGCCUUPLWFL-UHFFFAOYSA-N 377.558 3.875 0 40 GHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 223586512 SUIRPYPFLJRDTH-NRFANRHFSA-N 396.531 3.960 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1C 225619219 ARFPGXSYABHOPD-UHFFFAOYSA-N 393.505 3.586 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc3ccccc3c2)c(Cl)c1 222794471 ZUZHETINCWEUDY-UHFFFAOYSA-N 388.876 3.795 0 40 GHAB O=C(Cn1cc(-c2ccc(F)cc2)cn1)NCc1ccc(-c2ccco2)nc1 225751940 OPUVEEKRXWFOMW-UHFFFAOYSA-N 376.391 3.661 0 40 GHAB COc1ccc(CSCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 44857218 CHCWDCPKDZBISH-UHFFFAOYSA-N 384.545 3.841 0 40 GHAB COc1ccccc1N1CCC(NC(=O)[C@H]2CC[C@@H](c3ccccc3)O2)CC1 585083770 JJQQAZVFNYXCTG-RBBKRZOGSA-N 380.488 3.701 0 40 GHAB Cc1cccc([C@H]2CN(Cc3ccc(-c4ccccc4C(=O)O)o3)CCO2)n1 257206846 BFCLIMVEUQAGIV-OAQYLSRUSA-N 378.428 3.922 0 40 GHAB Cc1cccc(C(=O)N2[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCC[C@H]2[C@]4(C)C3)n1 257302437 SCYMARMXUFFYGR-KANGHSEISA-N 385.508 3.783 0 40 GHAB COC(=O)c1cccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)c1 260732797 BKSZGVOJVVOMMR-OAHLLOKOSA-N 383.517 3.601 0 40 GHAB CCn1ccnc1[C@@H]1OCCC[C@H]1c1nc(-c2ccc(F)c(COC)c2)no1 664964794 RMRVGDRLWZZJBS-NVXWUHKLSA-N 386.427 3.874 0 40 GHAB O=C(N[C@@H](CCc1ccccc1)C(F)F)N1CCOc2ccc(O)cc2C1 624621482 ATVUPBYJJBUZOW-KRWDZBQOSA-N 376.403 3.563 0 40 GHAB O=C(NCCn1cc(-c2ccccc2)nn1)c1ccc(C(F)(F)F)c(F)c1 1648140309 FYMIROZUGCBCCB-UHFFFAOYSA-N 378.329 3.533 0 40 GHAB c1ccc([C@H](OC2CCOCC2)c2nc(Cn3cnc4ccccc43)no2)cc1 581462492 ZIRSFOQFUQLWAF-NRFANRHFSA-N 390.443 3.753 0 40 GHAB CC(C)(C)c1ccccc1OCC(=O)N1CCC[C@H](c2nnc3ccccn23)C1 78241630 CKJQGSDYBIPGFD-KRWDZBQOSA-N 392.503 3.812 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)Cc3cccs3)C2)on1 12118491 DURDFWVFQJFOKC-OAHLLOKOSA-N 382.489 3.759 0 40 GHAB O=C(C1CCCC1)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 12129138 IGTNDQWKZCWPAI-UHFFFAOYSA-N 385.533 3.760 0 40 GHAB Cc1ccc(Cc2cnc(NC(=O)CNC(=O)c3ccccc3C)s2)cc1 12778158 LGVAAGUNFUGXPU-UHFFFAOYSA-N 379.485 3.719 0 40 GHAB CCOc1ccc2cc(CNc3ccc(N4CCC(O)CC4)cc3)c(=O)[nH]c2c1 13563034 MRYWZLSVEGHHFA-UHFFFAOYSA-N 393.487 3.500 0 40 GHAB Cc1cccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1 15398154 BXMBBZCOHFTPIG-UHFFFAOYSA-N 386.517 3.639 0 40 GHAB O=C(CN1CCN(c2ccccc2)CC1)NCCC12CC3CC(CC(C3)C1)C2 16778765 ZAFMDZKVFUCURG-UHFFFAOYSA-N 381.564 3.531 0 40 GHAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)c3sc(N)nc3C)C2)n1 19117748 KPALXRGROHDCIK-CYBMUJFWSA-N 399.545 3.880 0 40 GHAB CCCC(=O)N1CCC(c2nc(N3CCCC3)ncc2-c2cc(C)no2)CC1 19501146 YWUQTUXVIWPFDJ-UHFFFAOYSA-N 383.496 3.546 0 40 GHAB Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(CCc1ccccn1)C(=O)O3 19565709 LHNIGWJAXJTWII-UHFFFAOYSA-N 385.427 3.681 0 40 GHAB CN(C)c1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)ccn1 19589114 ZRGYVSJWTKMPIP-XJUOHMSHSA-N 392.547 3.630 0 40 GHAB COc1cc(CN2CCC[C@@H]2c2nc3ccccc3s2)ccc1OCC(N)=O 19658696 SZBROHKYMZAIGS-MRXNPFEDSA-N 397.500 3.506 0 40 GHAB CNC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2cnc(C)s2)CCO1 19697559 VRIQGCBHWJJHJT-HNNXBMFYSA-N 387.530 3.599 0 40 GHAB COc1ccc(Br)cc1/C=C1\N=C(c2cccc(F)c2)OC1=O 3569284 OQAUTGABBXMYNM-ZROIWOOFSA-N 376.181 3.941 0 40 GHAB O=C1NC[C@@]2(CCCCCOc3ccccc31)CCCN(C(=O)CC1CC1)C2 643559526 OJYTWNFNCBPMFT-HSZRJFAPSA-N 384.520 3.778 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H](n3ccnc3)C2)c2cc(Br)ccc2n1 590726593 FVZQUELZBXHESO-HNNXBMFYSA-N 399.292 3.980 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 12536296 YECAIQHHLIVVGZ-UHFFFAOYSA-N 398.488 3.557 0 40 GHAB Cc1ccc(CN2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 1848352574 IVSUKDWFCOVDNQ-HSZRJFAPSA-N 382.479 3.922 0 40 GHAB Cc1noc(C)c1CN1CC[C@@H](COc2ccc3nc(C(C)(C)C)cn3n2)C1 2087043837 VGALXNUCNXZVKR-MRXNPFEDSA-N 383.496 3.533 0 40 GHAB Cc1ccc2sc(N3CC[C@@H](COc4ccc5nccn5n4)C3)nc2c1C 2087067292 WWYSIOVQNDZWCN-OAHLLOKOSA-N 379.489 3.861 0 40 GHAB O=C(CSc1nnc(NC(=O)c2cccs2)s1)Nc1ccccc1 4077724 CWNIWWNMHYVMBK-UHFFFAOYSA-N 376.488 3.583 0 40 GHAB O=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1cccc(Cl)c1 9844201 HRHLGYMCNGWLNZ-UHFFFAOYSA-N 388.254 3.647 0 40 GHAB COc1cccc2sc(N(Cc3ccccn3)C(=O)c3cc(C)no3)nc12 12422287 FDJMGXXLQGQMTK-UHFFFAOYSA-N 380.429 3.843 0 40 GHAB Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccccc4)c3)n2)cc1 48989687 SWVLLKNBKHRFJV-UHFFFAOYSA-N 386.411 3.512 0 40 GHAB CCOc1ccc2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2n1 49027976 RWFPHFNPJPEBEW-UHFFFAOYSA-N 382.416 3.912 0 40 GHAB COc1ccc2cc(C(=O)NCc3nc(C4CCC(F)(F)CC4)no3)[nH]c2c1 575616294 JMHWJSVJFLXIQN-UHFFFAOYSA-N 390.390 3.782 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cn(-c2ccsc2)nn1 585409508 SSYBJXXSSPNSHY-UHFFFAOYSA-N 399.863 3.876 0 40 GHAB COc1cccc(N(C)S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)n1 40030650 KJNCDIRFXSATAZ-UHFFFAOYSA-N 375.277 3.839 0 40 GHAB COc1cc([C@H](C)NC(=O)c2nc(Cl)ccc2Cl)cc(OC)c1OC 40111763 MLOCICXRSUBRGN-VIFPVBQESA-N 385.247 3.905 0 40 GHAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)CCc2ccsc2)CC1 40105393 LEBDAXHMFQBQJK-UHFFFAOYSA-N 375.469 3.633 0 40 GHAB C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 40106151 YOODWWGWOWBFKW-CYBMUJFWSA-N 385.407 3.672 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccccc1C(F)(F)F 32772549 QCNZQIZMFBLPKH-UHFFFAOYSA-N 378.394 3.814 0 40 GHAB COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CC2)cc1 1380155 UHKXZNYBCNWGRO-HXUWFJFHSA-N 382.460 3.693 0 40 GHAB O=C(CN1CCCCC1)Nc1ccc2c(c1)[C@H]1Oc3ccccc3C[C@@H]1CO2 1647771 JLVARTZWOQVSMC-HXOBKFHXSA-N 378.472 3.796 0 40 GHAB CCCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccoc1C 4860738 FIJCJCWCLCYDHH-UHFFFAOYSA-N 386.477 3.996 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2c(-c3c(F)cccc3Cl)noc2C)no1 4871136 GXXKXSUOIWEXMZ-UHFFFAOYSA-N 393.758 3.534 0 40 GHAB C[C@@H]1CCC[C@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H]1C 6435564 ZJJRCYIMEZXIEK-IOASZLSFSA-N 381.314 3.510 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1C 7881434 PIZUJSUZJCXVFJ-IBGZPJMESA-N 379.456 3.699 0 40 GHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)Cc3csc(-c4ccco4)n3)c2)n1 47317283 URALDDDETUXUIB-UHFFFAOYSA-N 392.440 3.643 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)c(C)c1 8414629 PRFNLRFEAYIDFB-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CCCNC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(C2CCCCC2)nn1C 8635308 YUIKXSYLRGROEM-OTWHNJEPSA-N 388.556 3.782 0 40 GHAB biogenic,in-vitro N=C(N[C@@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl)c1ccccc1 3109663 POLAHCNHSVWTSN-HNNXBMFYSA-N 388.657 3.867 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]2C)c1 20836064 ZAHNVXRVXVZLPT-WMLDXEAASA-N 388.489 3.505 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1Cl 20495107 XYMFLJPYUXEBAQ-MRXNPFEDSA-N 378.881 3.519 0 40 GHAB COc1ccc(CNC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)cc1 3283999 IXAMFFGOOOXFCJ-UHFFFAOYSA-N 385.435 3.506 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 20456247 GNHAUPKDBIHUSN-QGZVFWFLSA-N 386.517 3.579 0 40 GHAB Cc1cccc(-n2ccnc2SCC(=O)c2ccc(S(C)(=O)=O)cc2)c1 26046564 RDBMFVGBYJUILH-UHFFFAOYSA-N 386.498 3.559 0 40 GHAB Fc1cc2c(c(CSc3nnc(NCC(F)(F)F)s3)c1)OCOC2 57773307 BMCJZBVKDXVOIV-UHFFFAOYSA-N 381.376 3.810 0 40 GHAB CCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc2c(c1)OCO2)C3 57996619 WKZAPSXMLBFSKX-UHFFFAOYSA-N 379.412 3.826 0 40 GHAB biogenic CCOc1ccccc1C(=O)NCC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 58027287 HZQKWLWIWPKYAM-UHFFFAOYSA-N 393.487 3.538 0 40 GHAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(F)c(F)c1F 58158658 JACTWEXOFTZCBL-UHFFFAOYSA-N 383.801 3.518 0 40 GHAB COc1cc(CC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)ccc1C 10237636 YOEALDNPNKFPFS-UHFFFAOYSA-N 387.911 3.590 0 40 GHAB CN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 10971794 FTVZVNOSTGRAQN-UHFFFAOYSA-N 388.851 3.739 0 40 GHAB COc1ccccc1OCC(=O)NC[C@@H](c1cccs1)N1CCCCCC1 27990377 KTVBFQYNBIDGLO-KRWDZBQOSA-N 388.533 3.869 0 40 GHAB CCOC(=O)[C@@](NC(=O)CC(C)C)(Nc1cccc(Cl)c1)C(F)(F)F 2271389 FTEJCJUTRCKEBT-HNNXBMFYSA-N 380.794 3.736 0 40 GHAB O=C1c2ccccc2S(=O)(=O)N1CCSCc1ccc(F)cc1Cl 11096258 PVEAMVMWPOQFSK-UHFFFAOYSA-N 385.869 3.557 0 40 GHAB CCN(CC)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC 12811827 GOHRNCFLSCBNKV-UHFFFAOYSA-N 392.503 3.620 0 40 GHAB COc1ccc(Br)c(C(=O)OCC(=O)NC2CCCCCCC2)c1 3412037 BABFOPOQELHMHA-UHFFFAOYSA-N 398.297 3.844 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 28043473 JXBSQSCSELODNB-MRXNPFEDSA-N 381.881 3.883 0 40 GHAB COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc3c(c2)OCCO3)cc1Cl 12916255 IHFMSVYNVMROPN-ZDUSSCGKSA-N 390.867 3.579 0 40 GHAB COc1ccc(CC(=O)N[C@@H](C)c2cccc(Br)c2)cc1OC 20025344 XEVDFKWIHNTKEB-LBPRGKRZSA-N 378.266 3.886 0 40 GHAB Cn1c(SCC(=O)Nc2ccccc2O)nnc1-c1cc2ccccc2o1 13550592 BZCODKMQMNRFHQ-UHFFFAOYSA-N 380.429 3.665 0 40 GHAB CCOC(=O)Cc1nn(Cc2ccc(C(C)(C)C)cc2)c(=O)c2ccccc12 4105169 NRRXNQXMJUMVLK-UHFFFAOYSA-N 378.472 3.848 0 40 GHAB C[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H]3OC(C)(C)OC[C@]32C)[C@]12CC[C@](CO)(CCO)O2 6183180 VKCTYACKTCTDRG-UWYAYLEVSA-N 396.568 3.653 0 40 GHAB biogenic C[C@@H](C(=O)Nc1ccc(F)cc1)n1nnc2sc(-c3ccccc3)cc2c1=O 5183304 DKHNNFINTCMMQU-LBPRGKRZSA-N 394.431 3.859 0 40 GHAB COc1cccc(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 5243787 RMCCUMJRUUVCPD-FQEVSTJZSA-N 396.487 3.673 0 40 GHAB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1 6370808 UAEDWXFKJIXJIC-JTQLQIEISA-N 377.322 3.766 0 40 GHAB COc1cccc(OCc2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)c1 4414495 JMYNBTKDTZQPSA-UHFFFAOYSA-N 381.461 3.506 0 40 GHAB CSc1ccc([C@@H](C)NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1 20030128 AASWASJDKHDEOB-GFCCVEGCSA-N 399.541 3.848 0 40 GHAB C[C@H](CC(=O)Nc1ccccc1)CC(=O)N1CCN(c2ccc(F)cc2)CC1 4676249 HKEZJACBMSQVRB-QGZVFWFLSA-N 383.467 3.529 0 40 GHAB Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)c2c3c(sc2n1)CCC3 6623473 WSIVVRNXZQHAHY-UHFFFAOYSA-N 379.894 3.943 0 40 GHAB CCCn1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c1C 5680173 DXZCTUWHIVNKOO-OAQYLSRUSA-N 399.516 3.543 0 40 GHAB c1ccc(-n2c(SC[C@H]3CCCO3)nnc2-c2ccc3c(c2)OCO3)cc1 6978544 XMXUEUSYQPCHSD-MRXNPFEDSA-N 381.457 3.934 0 40 GHAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccccc4)c3C)ns2)cc1 6914429 AUZUQOJIVAGBEF-UHFFFAOYSA-N 376.445 3.655 0 40 GHAB COc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc(OC)c1OC 7053857 JMOXJNOYKCIJMV-UHFFFAOYSA-N 391.367 3.532 0 40 GHAB O=C(NC1CC1)[C@@H](Oc1ccc(I)cc1)c1ccccc1 7151281 WCNNCNMQYPSOGU-INIZCTEOSA-N 393.224 3.690 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)c1C 7305480 BKVOCOYUGBERSC-UHFFFAOYSA-N 375.490 3.512 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)CCc3nc(-c4ccsc4)no3)ccc12 16054133 QYWQFGOMPCZPHX-UHFFFAOYSA-N 381.413 3.784 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN(C)[C@H]1CCCc2ccccc21 16342688 JSTYNTRHAALTTJ-FQEVSTJZSA-N 399.922 3.746 0 40 GHAB COc1cc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc2c1OCCO2 8074152 CEGBYKREXBDWAR-BQYQJAHWSA-N 377.440 3.796 0 40 GHAB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccccc2OC(C)C)C1=O 409338594 MRRUZLRWVGHQCK-WJDWOHSUSA-N 377.462 3.853 0 40 GHAB Cc1ccc(CN(C)C(=O)COC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 8519285 RGYJQGAFFTYJMY-UHFFFAOYSA-N 385.847 3.626 0 40 GHAB COc1ccc(N2C[C@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1OC 9318211 CZNLUNITCGCVDM-CYBMUJFWSA-N 399.834 3.928 0 40 GHAB O=S(=O)(Cc1ccc(F)cc1)NCCCC1(C2OCCO2)CCCCCC1 72307412 OUDFCFLOWRYOEG-UHFFFAOYSA-N 399.528 3.739 0 40 GHAB C[C@@H](Cc1cccnc1)OC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 95463458 PYPPOHMIIWUURS-KRWDZBQOSA-N 395.480 3.844 0 40 GHAB O=C(Nc1ccc(N2CCCC2=O)cn1)c1ccc(-n2cnc3ccccc32)cc1 95972223 PPCZDWACFTTXEU-UHFFFAOYSA-N 397.438 3.800 0 40 GHAB COC(=O)c1ccc(CSc2nnc([C@H]3COc4ccccc4O3)s2)o1 26532625 IQESWKRKRXKMDY-CQSZACIVSA-N 390.442 3.723 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 409329109 CSASRXZSYJLGLO-ABSDTBQOSA-N 398.528 3.739 0 40 GHAB COc1cc(OC)cc(-c2nc(SCC(=O)Nc3cccc(C)c3)n[nH]2)c1 408583682 WLIOUVGPJAMUMO-UHFFFAOYSA-N 384.461 3.528 0 40 GHAB O=C(C[C@@H](c1ccsc1)n1cccc1)NC1CCN(Cc2cccnc2)CC1 524733120 WKMLYZPYCACQRH-NRFANRHFSA-N 394.544 3.705 0 40 GHAB COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)cn1 35425154 HOYABNSMWDBLCY-SFHVURJKSA-N 379.464 3.527 0 40 GHAB biogenic,in-vitro O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(c2ccccc2F)CC1 38851353 CVAOYNGFRUQTQJ-LJQANCHMSA-N 399.485 3.526 0 40 GHAB COC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 30946433 BWBOTMDLDPCKIO-KRWDZBQOSA-N 386.879 3.977 0 40 GHAB O=S1(=O)C[C@@H](N2CCCCC2)[C@]12CC1c3ccccc3C2c2ccccc21 31716403 WIBBDCVETMOSAZ-KRLBEQFCSA-N 379.525 3.689 0 40 GHAB COCC(=O)N1CC[C@@H](c2cc(Cc3ccc(C(F)(F)F)cc3)cc(C)n2)C1 72374749 JGEWSBNYFHMVPE-QGZVFWFLSA-N 392.421 3.962 0 40 GHAB CCOC(=O)[C@H]1CC(=O)N(Cc2ccc(-c3nc4ccccc4s3)cc2)C1 45886865 HVVACDRQAZSCSM-INIZCTEOSA-N 380.469 3.875 0 40 GHAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C2CCN(C(C)=O)CC2)n1 72358195 JSXONVDHPOOIAL-QHCPKHFHSA-N 393.531 3.829 0 40 GHAB O=C(O)[C@H](c1cccnc1)N1CCC(c2ccccc2Br)CC1 568067536 YFBZHEYWKDULHK-KRWDZBQOSA-N 375.266 3.849 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cccc(Cl)c1 225475012 CYOBZXJRSTXFHL-INIZCTEOSA-N 388.895 3.661 0 40 GHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 222913479 MLQXEHAAZLEJJB-PWIZWCRZSA-N 384.549 3.691 0 40 GHAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 223560895 WFMJFQLDSDINKF-HXUWFJFHSA-N 380.532 3.914 0 40 GHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1cccc(OC)c1 225152895 LATYUQMGAZJWKF-JOCHJYFZSA-N 383.488 3.927 0 40 GHAB C[C@H](NC(=O)N1CCC2(CC1)OCCc1ccccc12)[C@@H]1COc2ccccc21 574767022 DNLUPPYJSJMGEF-PXNSSMCTSA-N 392.499 3.825 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCCCN2CCCCCC2)c(C)c1 225400694 UNJWEEJUTDDCKI-UHFFFAOYSA-N 377.554 3.724 0 40 GHAB CCCOCc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1OCC 224709275 ZQWVPFDSTBHUFC-UHFFFAOYSA-N 382.504 3.974 0 40 GHAB Cc1ccc(OC2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nn1 96119452 UDEQSMZKBUOXEI-UHFFFAOYSA-N 380.370 3.879 0 40 GHAB O=C(CCn1ccc2ccc(F)cc21)N1CCC(c2nnc3ccccn23)CC1 95474018 UMIGBYYVKRTNIJ-UHFFFAOYSA-N 391.450 3.619 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)N[C@@H](C(=O)O)c1ccc2c(c1)CCO2 582315799 ILPBKDWAAFSOJA-OAHLLOKOSA-N 380.322 3.588 0 40 GHAB CC(=O)c1ccc(Nc2nc(CN3C(=O)c4ccccc4C3=O)cs2)cc1 94993312 XMIZLQPQDTWFCT-UHFFFAOYSA-N 377.425 3.886 0 40 GHAB CCOC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 96627966 VZGCDGGXDGHKPU-FQEVSTJZSA-N 380.488 3.643 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 260841303 MNCXCUGFYPSIKB-UZLBHIALSA-N 388.533 3.671 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCCN2CCC[C@H](C)C2)c1C 260743192 ZKSDQEOCVRZOPX-HNNXBMFYSA-N 377.554 3.580 0 40 GHAB CO[C@@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc(Cl)cc1 607849329 ZMXSIZPWWQADGP-HNNXBMFYSA-N 395.290 3.501 0 40 GHAB Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)N1CCC[C@@H](Nc2ccccc2)C1 676180687 MKMZNTALEQUZHN-LJQANCHMSA-N 391.519 3.539 0 40 GHAB Cc1cccc(OC2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)n1 96119575 UYCRAXFFYVEXQO-UHFFFAOYSA-N 386.517 3.501 0 40 GHAB O=C(Cc1cccc2ccccc12)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390830581 LYUSSOJWSLOKIM-QFIPXVFZSA-N 393.508 3.771 0 40 GHAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCn1c(=O)oc2ccccc21 55735889 DBTVTONKPWQVDS-AWEZNQCLSA-N 375.428 3.612 0 40 GHAB CC(C)[C@@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)C(N)=O 78655559 RDXKIKAVEPPRKN-LLVKDONJSA-N 378.803 3.813 0 40 GHAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 96120067 UMDIMIBLZFJYEU-QGZVFWFLSA-N 397.968 3.966 0 40 GHAB CCC(=O)N1C(=O)[C@]2(SCC(=O)N2c2cc(C)cc(C)c2)c2ccccc21 12418272 KOICTWQZUBYDQE-OAQYLSRUSA-N 380.469 3.519 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ccc(C(F)(F)F)cn1 12527507 KZVCTUKHFNULEP-NSHDSACASA-N 395.406 3.956 0 40 GHAB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@@H]1c1ccc(O)c(OC)c1 12558516 VPBXSOXMDCLAQZ-LJQANCHMSA-N 398.484 3.592 0 40 GHAB c1ccc(CNc2ncc(-c3ccnc(N4CCCC4)n3)c(-c3ccco3)n2)nc1 12666813 LIKYPGVGQVFHAI-UHFFFAOYSA-N 399.458 3.801 0 40 GHAB Cc1ccc(NC(=O)c2ccoc2C)cc1S(=O)(=O)N1CCCCCC1 12809074 PWIFHKCYXMFHQH-UHFFFAOYSA-N 376.478 3.713 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2F)cc1Cl 13669681 ZYJGXRLTPDCMSX-UHFFFAOYSA-N 389.901 3.699 0 40 GHAB Cn1c(=O)n(CCC(=O)Nc2nc(-c3cccs3)cs2)c2ccccc21 14772637 JQBKYKQKZNHBJK-UHFFFAOYSA-N 384.486 3.554 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)C(C)C)C1 19085416 TVHGGADZEXCILM-QFIPXVFZSA-N 384.545 3.968 0 40 GHAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccnc2)C1)c1cccs1 19400740 BMSUIFSKDWZQQA-NQIIRXRSSA-N 392.528 3.921 0 40 GHAB CC(C)CC(=O)N1CCC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 19446285 ZCPSICDLNIQUTI-HSZRJFAPSA-N 397.519 3.627 0 40 GHAB C[C@H](C(=O)NCC1(N(C)C)CCCC1)n1c(C(F)(F)F)nc2ccccc21 19718387 BOCYMZZVHROIBR-CYBMUJFWSA-N 382.430 3.607 0 40 GHAB CCOc1ccccc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937640 NDHMYMLWHNGBFD-UHFFFAOYSA-N 383.835 3.670 0 40 GHAB O=C(CCn1c(C(F)F)cc2cccnc21)N1CC[C@]2(O)CCCC[C@H]2C1 19347132 XUIHIJAQYZPFBY-MGPUTAFESA-N 377.435 3.518 0 40 GHAB COc1cc(CN[C@@H]2CCCc3ccccc32)ccc1OCC(=O)N1CCCC1 25259792 YUIWOQFZBIJXBA-OAQYLSRUSA-N 394.515 3.864 0 40 GHAB COc1ccc(-c2noc(COC(=O)c3cccc4c3O[C@H](C)[C@@H]4C)n2)cc1 32836016 XPWHSXMKMYXHGT-QWHCGFSZSA-N 380.400 3.987 0 40 GHAB O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@H](Oc2cccc3cccnc23)C1 238961541 YNJLOYSANGNLIE-NRFANRHFSA-N 398.466 3.773 0 40 GHAB O=C(CCC1CCCC1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984741 MGQOVQBJBOBIDL-QHCPKHFHSA-N 384.520 3.772 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)n1ccnc1-c1ccccc1 4262895 AIYRXEATXVNKBX-UHFFFAOYSA-N 393.262 3.558 0 40 GHAB Cn1nc(-c2cccs2)cc1CNC(=O)C1(c2ccccc2)CCOCC1 1775966409 BWJYOHRJAWDYAI-UHFFFAOYSA-N 381.501 3.513 0 40 GHAB Cc1cc(C)cc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1 23211991 PRUPXUHFMZLLLT-HXUWFJFHSA-N 388.939 3.827 0 40 GHAB CCn1nc(C)c(S(=O)(=O)N2CCS[C@H](c3ccccc3F)CC2)c1C 219166213 JUBSEBQKZGSQOU-KRWDZBQOSA-N 397.541 3.528 0 40 GHAB O=C(CSc1nc2ccccc2s1)N1CCC[C@H](Oc2ccncc2)C1 575612261 KLXJVGJZHYYEMV-HNNXBMFYSA-N 385.514 3.853 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585149011 QJCXUMLZQDVCJW-INIZCTEOSA-N 377.893 3.762 0 40 GHAB CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccccc3F)cc2)CC1=O 10461842 XJTSRXGLULSDRL-INIZCTEOSA-N 397.450 3.665 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)C2CCN(C(=O)NCc3ccco3)CC2)cc1 40130303 PTRZXLNPWKAMJG-MRXNPFEDSA-N 383.492 3.641 0 40 GHAB O=C(NCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 2645341 VUBLRUDUCMLXRR-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 8488997 BOLCUWOOHPQUGT-NSHDSACASA-N 375.368 3.633 0 40 GHAB Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)NC2CC2)c1 12062362 IYBYKBWNNMBRDM-UHFFFAOYSA-N 381.501 3.794 0 40 GHAB O=C(NC1CCCC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 1325011 HSFRHFLZMHGHNG-UHFFFAOYSA-N 384.501 3.501 0 40 GHAB Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)C[C@H](C)CC3 1377113 HXELDYRZCKHWSK-CYBMUJFWSA-N 396.516 3.680 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)N(C)CCOc2cccc(Cl)c2)c1C 21709831 FMCIYMLYGOCPCK-UHFFFAOYSA-N 378.856 3.613 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)c1C 3472250 PWPCOMMRAMGRRH-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccnc(-n2ccnc2C)c1 32931307 REJNFPDNRZFZDR-CQSZACIVSA-N 384.867 3.621 0 40 GHAB O=C(CCC(=O)c1cccs1)NCCCNc1ccc(C(F)(F)F)cn1 32911993 VPTUBTBWCBBJGT-UHFFFAOYSA-N 385.411 3.743 0 40 GHAB Cc1nnc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)s1 4187975 DSTPKOPHTWWBHN-QMMMGPOBSA-N 391.547 3.707 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCCc2nc(-c3ccc(C)cc3)no2)cc1 4433922 ZEHGBIZGPLNVEZ-UHFFFAOYSA-N 378.432 3.965 0 40 GHAB CC(C)CNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 6326364 FRJQPTGNRGJZBG-UHFFFAOYSA-N 394.544 3.917 0 40 GHAB COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c(OC)c1 6453971 VFPSGQREJZEWBI-UYRXBGFRSA-N 392.411 3.706 0 40 GHAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 6629058 QJPCNWWVNKYGJJ-GHRIWEEISA-N 388.489 3.666 0 40 GHAB COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)ccc1O 6641732 PYOYKWGLTCKUAR-HARLFGEKSA-N 381.472 3.909 0 40 GHAB COCCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1 6668934 MJJPNCBAQLYLRG-UHFFFAOYSA-N 388.518 3.774 0 40 GHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(I)c(C)n2)c1 6963398 FLRMGRQZFAWXTR-UHFFFAOYSA-N 396.228 3.629 0 40 GHAB COc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c(OC)cc1Cl 7387456 MYAGXFBNPXRTSQ-UHFFFAOYSA-N 380.224 3.951 0 40 GHAB O=C(c1cccc(F)c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 7388395 GVZDLBITELIFPS-UHFFFAOYSA-N 390.739 3.998 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)n1 100738812 FQPDTRDJIKFRPR-IZAXUBKRSA-N 387.487 3.946 0 40 GHAB COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)ccc1OCC#N 50547848 MZUJHIVVPRUWBR-BOPFTXTBSA-N 381.413 3.692 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c(OC)c1OC 22511593 MPVFJFOSHYEXOB-INIZCTEOSA-N 387.476 3.721 0 40 GHAB Cc1ccc(-c2cc(C(F)(F)F)nc(S[C@@H]3CC(=O)[C@@H]4OC[C@@H]3O4)n2)cc1 101066374 VHSVBFVUAMIUAE-SQWLQELKSA-N 396.390 3.646 0 40 GHAB O=C(COc1ccc(C(F)(F)F)cc1)Nc1cccc(C(=O)NC2CC2)c1 9685294 WAHKGQBHXXAFRD-UHFFFAOYSA-N 378.350 3.615 0 40 GHAB Cc1cnc(C(=O)N2[C@@H]3CC[C@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 100112741 KRJLJPUJKHBOMI-SIIHOXLZSA-N 391.393 3.876 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C)nc2)c(Br)c1 23519312 IYVNEPQKYOETLZ-LBPRGKRZSA-N 377.238 3.645 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 24357476 OOMFDWSWXGGGFF-SNVBAGLBSA-N 388.272 3.820 0 40 GHAB COc1cc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc(OC)c1OC 12596458 QITDATXFFJCGGT-HXUWFJFHSA-N 378.428 3.627 0 40 GHAB O=C(Nc1ccccc1Br)c1c(O)n2c3c(cccc3c1=O)CCC2 1302944 VKHJJCGNYRARCF-UHFFFAOYSA-N 399.244 3.668 0 40 GHAB C[C@H](NC(=O)NCCOc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 12567724 MYYXSVTXKATGLG-ZDUSSCGKSA-N 376.840 3.550 0 40 GHAB Cc1ccnc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)c1 12527082 JQNXLRXITFSQRS-UHFFFAOYSA-N 388.349 3.515 0 40 GHAB Cc1ccoc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 25321305 YNVXBNFIDNDGGE-OKILXGFUSA-N 376.478 3.507 0 40 GHAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 101114649 XVNWHYCHGXRDLO-UBDQQSCGSA-N 385.341 3.665 0 40 GHAB COc1cc(NC(=O)c2ccc(F)c(F)c2)ccc1NC(=O)c1cccnc1 26238105 BTZSZTSICRCLNL-UHFFFAOYSA-N 383.354 3.873 0 40 GHAB CCCOc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1 22380209 ATHOMRORHFCXJR-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc3ccccc3c(OC)n2)c1 48288584 WPXCUNDBJBGMRE-UHFFFAOYSA-N 377.444 3.978 0 40 GHAB CC(C)c1noc(CCCC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)n1 58107015 PWAWSCQOAOIIGP-IYBDPMFKSA-N 386.496 3.768 0 40 GHAB CC(=O)NCc1ccc(C(=O)CSc2nccn2-c2ccccc2C)s1 26047158 PZNLMQINDPTJDD-UHFFFAOYSA-N 385.514 3.853 0 40 GHAB C[C@H]1CCCN(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)C1 27962426 PLQHLKOWBIIOJA-GOEBONIOSA-N 379.551 3.800 0 40 GHAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1cccc(N2CCNC2=O)c1 45032501 NJSSUGAILKHATI-UHFFFAOYSA-N 378.476 3.849 0 40 GHAB Cc1ccc(Cn2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)cc1 2256181 WPVFHJLXDFMPPF-UHFFFAOYSA-N 387.487 3.909 0 40 GHAB O=C(NCCC1=CCCCC1)c1ccc(Cn2cnc3ccccc3c2=O)o1 36358313 FKVQOTSDVFUXOJ-UHFFFAOYSA-N 377.444 3.658 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 62376829 KTFPICMEESNFGY-DOOHLRMFSA-N 384.448 3.725 0 40 GHAB CCCN1CCC(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 48338668 YFNSAFWVOBJZOO-CYBMUJFWSA-N 385.371 3.920 0 40 GHAB Cc1ccc(C(=O)NCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1C 12815173 FDWXUVRTNCOAMS-UHFFFAOYSA-N 387.483 3.830 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1 3549934 MIJLMNVHHWGRTF-UHFFFAOYSA-N 396.896 3.631 0 40 GHAB COc1cc(CN(CC(=O)N(C)Cc2ccco2)C2CC2)ccc1OC(F)F 12984372 GVDWVLBGPGSMIT-UHFFFAOYSA-N 394.418 3.513 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC(CCc2ccccc2)CC1 12903135 ODWAYBUILXHMRO-UHFFFAOYSA-N 389.499 3.576 0 40 GHAB Cc1nn(C[C@H](C)C(=O)Nc2cc(Cl)ccc2O)c(C)c1Br 28236109 HVUNRZMRSMEACL-QMMMGPOBSA-N 386.677 3.896 0 40 GHAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)c(C)c1 13426971 CVBNSRLDSZGZIU-LIJORCRASA-N 392.455 3.896 0 40 GHAB Cc1ccsc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 408882539 OXSXQVDIEKPXBX-ZSOIEALJSA-N 376.434 3.871 0 40 GHAB Cc1ccccc1-n1cnnc1S[C@H](C(=O)NC1CC1)c1ccc(F)cc1 8706000 PEELATJRSHCBQZ-SFHVURJKSA-N 382.464 3.827 0 40 GHAB CN(C)CCCNc1nc2sc3c(c2c2nc(-c4ccccc4)nn12)CCC3 13728159 XBMQLBFSEXPGOQ-UHFFFAOYSA-N 392.532 3.858 0 40 GHAB O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccc(Cl)cc1Cl 13728608 AWIIWJOLFZKXOO-AWEZNQCLSA-N 375.215 3.519 0 40 GHAB Cc1c(C(=O)OCc2ccccc2C(F)(F)F)sc2ncn(C)c(=O)c12 18666965 PPDXTZQTIXJAGE-UHFFFAOYSA-N 382.363 3.679 0 40 GHAB O=C(COCc1nc2ccccc2s1)Nc1ccccc1N1CCCC1=O 14084230 OTHOZHPTXAQPNY-UHFFFAOYSA-N 381.457 3.578 0 40 GHAB O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1ccc2c(=O)[nH]c(S)nc2c1 65595609 NOSIXYVQSAUYOI-CQSZACIVSA-N 393.390 3.635 0 40 GHAB Cc1c(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)oc2ccccc12 14253346 SXSGFSMAECFLHO-HSZRJFAPSA-N 388.423 3.708 0 40 GHAB CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccccc1OC 4736359 QMXQBHVZZZPEBG-UHFFFAOYSA-N 393.472 3.502 0 40 GHAB COc1cc(C[C@H]2CC(c3cccc(Cl)c3)=NO2)c(OC)c2c1OCO2 15085894 WGSQHUXUTAFELN-AWEZNQCLSA-N 375.808 3.822 0 40 GHAB COc1cc(C(=O)NC2=NCCS2)ccc1OCc1ccc(Cl)cc1 5879820 WSVFEJTUMGCWNW-UHFFFAOYSA-N 376.865 3.760 0 40 GHAB Cc1ccc2c(COC(=O)[C@@H](NC(=O)c3ccccc3)C(C)C)cc(=O)oc2c1 5938144 KULAJTZNPKXFET-NRFANRHFSA-N 393.439 3.599 0 40 GHAB COc1cc(OC)c(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)cc1Cl 7609817 FSOFQHKCKOCSBP-CYBMUJFWSA-N 388.851 3.657 0 40 GHAB CCN(CC)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 22275915 JZGUXPHMUXQSDH-UHFFFAOYSA-N 394.924 3.712 0 40 GHAB CC(=O)N[C@@H]1C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(Cl)cc21 8048023 GLHITSYHLNFFIZ-KRWDZBQOSA-N 379.243 3.596 0 40 GHAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cccc(Oc3ccccc3)c1)C2=O 8278613 DXFHYPVPBFQWAE-UHFFFAOYSA-N 393.443 3.624 0 40 GHAB CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 8328280 KSYCIQOOINJVCT-QFIPXVFZSA-N 380.444 3.645 0 40 GHAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccco1 8359861 KGIIQRWAILQBGS-OAHLLOKOSA-N 396.468 3.522 0 40 GHAB O=c1c([C@H]2NCCc3c2[nH]c2ccccc32)c(O)[nH]c(=S)n1C1CCCCC1 17180928 UOFAJPGULOPCKI-GOSISDBHSA-N 396.516 3.833 0 40 GHAB biogenic COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1 9359123 RZOVHUKWBAXTJW-UHFFFAOYSA-N 385.423 3.779 0 40 GHAB COc1cccc(-c2nc(C)c(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)s2)c1 95479206 IMVLQSOULXYVFT-HRAATJIYSA-N 386.517 3.894 0 40 GHAB Cc1cc(C)c(OCC(=O)Nc2cccc(C(=O)O)c2)c(Br)c1 20144415 UMKLKHYOUGSIAN-UHFFFAOYSA-N 378.222 3.782 0 40 GHAB COC(=O)c1ccc(Cn2cnc3c(-c4cccc(F)c4)csc3c2=O)o1 23126029 KDTONISDEBUEHR-UHFFFAOYSA-N 384.388 3.692 0 40 GHAB COc1ccc(N2CCCN=C2NC(=O)c2ccc(Cl)cc2)cc1Cl 28535789 BPNAQABEBBHVHO-UHFFFAOYSA-N 378.259 3.998 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2c(C)cc(Br)cc2C)c1 409206718 WDAKCLWKFMPEJK-UHFFFAOYSA-N 392.249 3.870 0 40 GHAB CC[C@H](C(=O)N[C@H](C)c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 37021594 ITBARCVIOLYFLD-YLJYHZDGSA-N 388.533 3.725 0 40 GHAB CC(C)c1noc(-c2cc(=O)n(CC(=O)Nc3ccccc3)c3ccccc23)n1 65154318 QATFUFJAYXLKLH-UHFFFAOYSA-N 388.427 3.814 0 40 GHAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(F)c2)c1 408628716 WITQVTWIXVZQEB-UHFFFAOYSA-N 379.844 3.954 0 40 GHAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCCc1ccc2c[nH]nc2c1 504987499 ZSVCJMATAHHLDJ-LJQANCHMSA-N 380.496 3.772 0 40 GHAB O=C(C[C@H]1CCCS(=O)(=O)C1)N1CCc2cc(-c3cccc(F)c3)ccc21 515880190 FCSSOIFORHGMIT-OAHLLOKOSA-N 387.476 3.597 0 40 GHAB O=C(C1CCOCC1)N1CCC[C@@H](CCc2ccnc(Nc3ccccn3)c2)C1 72378215 ANJJMDSGUSAWSN-IBGZPJMESA-N 394.519 3.818 0 40 GHAB CCOC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 32666303 ZSDZNBBSXSTJGU-UHFFFAOYSA-N 384.819 3.913 0 40 GHAB O=C(Cn1ccnc1-c1ccnc(N2CCCC2)c1)NCc1ccccc1Cl 62007383 OGSUWXAJYBMZEQ-UHFFFAOYSA-N 395.894 3.515 0 40 GHAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccccn3)C2)cc1 72345974 SXUDYMCSZFIBKP-QGZVFWFLSA-N 375.476 3.509 0 40 GHAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)on1 70762348 ZYHKIHTYDCYBJI-GOSISDBHSA-N 376.334 3.522 0 40 GHAB CCOc1ccccc1NC(=S)N1CCC(NC(=O)C2CCCCC2)CC1 35311052 GJCLRDWNYQUXES-UHFFFAOYSA-N 389.565 3.943 0 40 GHAB COc1cc(CNC(=O)c2cccc(N3CCCC3=O)c2)ccc1OC(C)C 219211475 AYMBHABQWAQOFV-UHFFFAOYSA-N 382.460 3.539 0 40 GHAB CCC[C@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1 224061338 SKAUCUURCURSOF-HNNXBMFYSA-N 390.505 3.723 0 40 GHAB COCCOc1ccc(S(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)cc1C 40105057 WAYBDBOQAAMGEM-HNNXBMFYSA-N 389.473 3.806 0 40 GHAB COc1cc(C)c(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1C(C)C 224589783 BUNDSAODZFXGIU-UHFFFAOYSA-N 396.531 3.889 0 40 GHAB O=C(CCNC(=O)c1ccc2nc(Cl)sc2c1)Nc1ccc(F)cc1 225979476 ZIQDICCVIVINNN-UHFFFAOYSA-N 377.828 3.847 0 40 GHAB NCc1nc(-c2ccc(NC(=O)CC3CCC(C(F)(F)F)CC3)cc2)n[nH]1 569603077 DUIGDFNCRIUYKK-UHFFFAOYSA-N 381.402 3.628 0 40 GHAB CC(C)CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 222776070 DFYZBICACLWMJC-IBGZPJMESA-N 382.504 3.645 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 222992325 UWGSAFGGCMSUTD-LJQANCHMSA-N 382.504 3.707 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NCCSCc1ccc(C)cc1 223919413 YZIMQBYCZJTONX-UHFFFAOYSA-N 385.938 3.869 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)ccc1-n1cccn1 571667655 XIAJJASSZCKMMT-LJQANCHMSA-N 389.503 3.733 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 224253443 OVTZQTRTXOZIPN-QFIPXVFZSA-N 396.531 3.934 0 40 GHAB CC[C@@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1 225483701 ZFALYMSQICPNMC-GOSISDBHSA-N 391.562 3.829 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 223195410 DVIYQVGLYFYKCO-GOSISDBHSA-N 376.859 3.575 0 40 GHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223862337 VJKXRDHMBWBMOB-HOTGVXAUSA-N 397.496 3.888 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccco3)cc2)cc1 224083145 MJYXBMSFHGBGQT-UHFFFAOYSA-N 384.457 3.661 0 40 GHAB COc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2)cc1OC 45382765 CKCHTNRHKIMVPA-LBPRGKRZSA-N 394.265 3.723 0 40 GHAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21 96242033 LPJJIHNTWJLBSE-LJQANCHMSA-N 376.500 3.826 0 40 GHAB COCCN(C)C(=O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96266470 FJJHIRSAZZSGQO-UHFFFAOYSA-N 377.400 3.868 0 40 GHAB O=C1CS[C@H](c2ccccc2F)c2c(O)nn(C3CCSCC3)c2N1 96118052 PYYDEBYWMUZSPT-OAHLLOKOSA-N 379.482 3.571 0 40 GHAB Cc1nc(C(C)C)c(-c2nn3c(-c4c(Cl)cnn4C)nnc3s2)s1 95480259 XNIDKKANBQBMRW-UHFFFAOYSA-N 379.902 3.795 0 40 GHAB C[C@H]1CN(C(C)(C)CNc2nc(C(F)(F)F)nc3ccccc23)C[C@H](C)O1 1611764402 DNXBJVPGMDHINI-STQMWFEESA-N 382.430 3.948 0 40 GHAB COC(=O)c1ccc(C(=O)NCCn2nc(-c3cccs3)cc2C2CC2)cc1 96121605 INXZVBUAJNELES-UHFFFAOYSA-N 395.484 3.706 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCCc2cccc(OC)c2)[C@@H]1c1ccccc1C 585168464 HFKVPUYGHZDNSR-GGAORHGYSA-N 394.515 3.662 0 40 GHAB CC1(C)C[C@]1(NC(=O)NCc1ccnc(OC2CCOCC2)c1)c1ccccc1 664112019 OZGSFBCQWBZXNH-QHCPKHFHSA-N 395.503 3.764 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OC(F)F 69392890 WQYRMXNJVGJWAP-DOMZBBRYSA-N 386.439 3.844 0 40 GHAB CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2nc(C(C)C)no2)CC1 69843281 XEBJRTMYNYBELI-GOSISDBHSA-N 391.560 3.768 0 40 GHAB c1ccc(Cn2ccnc2CN2CCN(c3nc4ccccc4s3)CC2)cc1 71811798 PZSSYTYWJIHOLQ-UHFFFAOYSA-N 389.528 3.863 0 40 GHAB CN1CCCN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 37210474 XISJCACVUFFPPW-RZTYHALVSA-N 398.591 3.532 0 40 GHAB O=C(O)CCC/C=C\CC1=C2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1 1560408846 WJSHXLHNVHHJEO-XTFLRGGFSA-N 375.490 3.645 0 40 GHAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 7078441 FWKTWEUHYHKEBK-RKPNYOAGSA-N 377.462 3.852 0 40 GHAB CCOc1ccc(CN(C)C(=O)COC(=O)c2ccc(-n3cccc3)cc2)cc1 5703031 ZINXKGXXFOBKKI-UHFFFAOYSA-N 392.455 3.691 0 40 GHAB CCCOc1cc2c(cc1CN1CCC(O)(c3ccccc3OC)CC1)OCO2 12328882 XRZPUKQHYRUDEF-UHFFFAOYSA-N 399.487 3.696 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1 13669481 OCTFESWHGZEWGG-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB Cc1cc(C)cc(OCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 15220253 BFJRFZUNPSSONO-LAUBAEHRSA-N 381.472 3.808 0 40 GHAB Cc1ccc(-c2nc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)O)sc2C)cc1C 17078875 SFTDCKXIQFVVIG-JJXSEGSLSA-N 386.473 3.552 0 40 GHAB CC(=O)N(C)C1CCC2(CC1)CN(Cc1cccnc1)Cc1ccccc1O2 19016366 LCXBNOHCPCWQPS-UHFFFAOYSA-N 379.504 3.636 0 40 GHAB Cc1c(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)oc2c(C)cccc12 19236741 MPSHUDMLFFDZLS-IBGZPJMESA-N 390.487 3.805 0 40 GHAB Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)N[C@@H]1CCOc2ccccc21 19356688 WDKSYJGMKOQXNG-LJQANCHMSA-N 390.439 3.648 0 40 GHAB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)c1cc(C(C)C)nn1C)C2 19452260 GINPOBMEKPFDPV-OAQYLSRUSA-N 397.519 3.546 0 40 GHAB CCCN1CCN(CC2CC2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19502829 NVFKXXMNUVUWOC-QHCPKHFHSA-N 377.532 3.872 0 40 GHAB CCOC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCN(CC2CC2)CC1 19530191 YFQABOLDNNXYNL-LJQANCHMSA-N 388.483 3.764 0 40 GHAB CN1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1csc3c1CCCC3)C2 19588982 MEMBWAIPFHQYGK-IBGZPJMESA-N 396.560 3.772 0 40 GHAB CCCCn1c(=O)c2oc3ccccc3c2n(Cc2cccc(OC)c2)c1=O 4316119 KMPYHKKMUDDOAG-UHFFFAOYSA-N 378.428 3.766 0 40 GHAB Cc1cc(Cl)cc2sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)nc12 4518067 LJVBDMKLNXZPQC-UHFFFAOYSA-N 380.878 3.914 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1F 11612609 YOQORVWDQSXNOM-OAHLLOKOSA-N 394.443 3.537 0 40 GHAB Cc1cc(S(=O)(=O)[C@H](CNC(=O)CC(C)C)c2cccs2)ccc1F 15781014 WGIYVMLOZIZWTP-QGZVFWFLSA-N 383.510 3.873 0 40 GHAB CC[C@H](C)C(=O)N1CCC[C@](Cc2cc(-c3cccc(C)c3)no2)(C(=O)O)C1 12241815 FBHJUHDWWZBHLC-KSFYIVLOSA-N 384.476 3.932 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]2NC[C@H](c3ccc(F)cc3)[C@H]21 19559061 GYMBLBAZMPCOFO-QWFCFKBJSA-N 388.870 3.848 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1nncs1 40132045 GRDXDPQTLJVAQU-UHFFFAOYSA-N 382.276 3.829 0 40 GHAB CC[C@@H](C)c1c(O)nc(SCC(=O)Nc2cccc3ccccc23)[nH]c1=O 17086369 WUXFZVGQPXQEBS-GFCCVEGCSA-N 383.473 3.873 0 40 GHAB CCCOc1ccc(N2C(=O)C[C@H](n3cnc4cc(C)c(C)cc43)C2=O)cc1 2728323 IOKCRJSNAAAJAM-FQEVSTJZSA-N 377.444 3.947 0 40 GHAB CC[C@@H]1c2ccsc2CCN1C(=O)CCNC(=O)Nc1ccc(OC)cc1 32885665 POQIHPZZOXIREP-QGZVFWFLSA-N 387.505 3.804 0 40 GHAB CS(=O)(=O)c1cc(C(=O)N2CCCSc3ccccc32)ccc1Cl 32897295 WTMCYWLNXSCGHP-UHFFFAOYSA-N 381.906 3.886 0 40 GHAB C[C@@H](NC(=O)c1c(Br)c(C(F)(F)F)nn1C)[C@@H]1C[C@H]2CC[C@H]1C2 102626543 KHLWMNDVTGHUOK-KATARQTJSA-N 394.235 3.756 0 40 GHAB CC(=O)Nc1ccc(OCC(=O)Nc2ccc(Br)cc2C)cc1 4349861 KCBPZELWCBMTPI-UHFFFAOYSA-N 377.238 3.733 0 40 GHAB CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@@H]1CCc2ccccc21 32905642 DPOCZQVAIUXCHA-OAQYLSRUSA-N 380.463 3.824 0 40 GHAB COCCN(C(=O)c1ccc(F)cc1)c1nnc(-c2ccc(OC)cc2)s1 4881024 BYYFILASXUKEBV-UHFFFAOYSA-N 387.436 3.646 0 40 GHAB COc1cc(C(=O)Nc2ccccc2)cc(I)c1OC 6735632 VLSZGKMLKDOOHQ-UHFFFAOYSA-N 383.185 3.561 0 40 GHAB Cc1ccc(-n2cnnc2SCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1Cl 10249231 BEOAOKBHQYVOPX-CHWSQXEVSA-N 378.929 3.826 0 40 GHAB COc1cccc(/C=C/C(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)c1 58006529 RWCJTEQATOYINM-CMDGGOBGSA-N 375.465 3.899 0 40 GHAB CCc1ccc(OCC(=O)Nc2ccc(C(=O)OC)cc2)c(Br)c1 8200267 UBUITAHCSVIVID-UHFFFAOYSA-N 392.249 3.816 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1F 24372604 OSJNWBJJPKIDBH-UHFFFAOYSA-N 393.358 3.554 0 40 GHAB Cc1c(C(=O)OCC(C)C)sc2ncn(CC(=O)c3cccs3)c(=O)c12 1290921 MWAQCXCYKXVYGI-UHFFFAOYSA-N 390.486 3.524 0 40 GHAB CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)cc1 52410984 XZPZVGZFBVMLAX-UHFFFAOYSA-N 378.519 3.691 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCN2C(C)=O 12565408 CRKGPSPAMNMOQY-GFCCVEGCSA-N 387.867 3.697 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12604460 YLWCTFIBEUOUGS-HXUWFJFHSA-N 379.508 3.938 0 40 GHAB C[C@@]12CC[C@H](C[C@@H]1C(=O)N1CCCCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 100178407 HTMJBABCXCNWJE-VIRUWPMXSA-N 382.504 3.734 0 40 GHAB Cc1c(Cl)cccc1N(CC(=O)NCC(C)C)S(=O)(=O)c1ccccc1 2072034 TWQORCUEGDDSSC-UHFFFAOYSA-N 394.924 3.616 0 40 GHAB CCOCc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)s1 2191226 QOAWGOXMIQQYBI-QMMMGPOBSA-N 376.265 3.787 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(F)ccc1F 22576965 NWJWRYNLCZMHIZ-UHFFFAOYSA-N 397.219 3.746 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(N2CCCC2=O)c(Cl)c1 10593639 BZZBYNPZBQHWNT-XBXARRHUSA-N 384.819 3.847 0 40 GHAB CC(C)c1ccc(NC(=O)COC(=O)c2cncc(Br)c2)cc1 3300341 CEDSMWFYPWUASL-UHFFFAOYSA-N 377.238 3.763 0 40 GHAB Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 3345589 QNNKILNEUWZAFN-CRAIPNDOSA-N 393.516 3.645 0 40 GHAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 12802666 IVOHWDOVUAKOIX-HVRYHUGMSA-N 382.460 3.912 0 40 GHAB Cc1cccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1C 12937931 ANENWGOBUKFSCY-UHFFFAOYSA-N 381.501 3.982 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1sc(-c3ccccn3)nc1C)CC2 12916892 FCNNYNDYZHAGPX-UHFFFAOYSA-N 395.484 3.729 0 40 GHAB CCN(CC)C(=O)Cc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1 49677408 BLZKKJANTZTMTH-UHFFFAOYSA-N 394.519 3.735 0 40 GHAB O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCCc1ccccc1 5157961 HQEDTVAAESRXRH-UHFFFAOYSA-N 386.521 3.663 0 40 GHAB C[C@@H](C(=O)N[C@H](C)c1cccc(F)c1)n1c(S)nnc1-c1cccs1 65551214 SRZVVOYFWODRBO-MNOVXSKESA-N 376.482 3.873 0 40 GHAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)C1=O 409246094 DSQKTEXBIPYDEN-QGOAFFKASA-N 380.444 3.967 0 40 GHAB O=C(Oc1ccccc1Cl)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4593185 GQIREHZZCKOMCI-ATNYCFDYSA-N 393.826 3.871 0 40 GHAB COc1ccc(-c2noc(COC(=O)Cc3ccccc3Cl)n2)cc1OC 14244509 SDZUNPKCLFFHAX-UHFFFAOYSA-N 388.807 3.693 0 40 GHAB Cc1ccc(C(=O)COc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1 18241558 DHEWSLRQMFBQOL-BGYRXZFFSA-N 375.424 3.712 0 40 GHAB COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)ccc1O 6641671 PYOYKWGLTCKUAR-AAIMPIBUSA-N 381.472 3.909 0 40 GHAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1 6602598 VAPJUXVGVBCWGY-QGZVFWFLSA-N 392.565 3.613 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)N[C@@H](C)c1cccc(Br)c1 20030063 MJDFYQIHUARAGF-JTQLQIEISA-N 388.258 3.636 0 40 GHAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1Cl 5689184 LXIUZOJAQUOPMP-CYBMUJFWSA-N 398.937 3.609 0 40 GHAB O=C(COC(=O)c1ccc(F)cc1Cl)NCC1(c2ccccc2)CCC1 22936130 IOTSOUHGKVQNCE-UHFFFAOYSA-N 375.827 3.874 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccccc2F)N1C[C@H]1CCCO1 6752766 YQNRGVWBGDRCEP-ASSNKEHSSA-N 393.418 3.646 0 40 GHAB COc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)N2CCCCC2)cc1 8867689 LAWYKEWDLDHJEG-NRFANRHFSA-N 386.467 3.557 0 40 GHAB CCCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)Nc3nccs3)nc21 4973746 VTYCYTAMXSAJFT-NSHDSACASA-N 398.517 3.965 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2ccccc2)cc1 7007494 BXMPNZVFYHXOSY-CQSZACIVSA-N 382.489 3.884 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CCSc2nc(SC)ns2)cc1 67317242 BPHGXEQVIDQDNZ-UHFFFAOYSA-N 383.520 3.558 0 40 GHAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1 15481555 QHGYYJRLIIJYSV-UHFFFAOYSA-N 378.428 3.621 0 40 GHAB O=c1c2ccc(Cl)cc2nc(SC[C@@H]2CCCO2)n1Cc1ccco1 7188114 KLAGFCVUFIBXBH-AWEZNQCLSA-N 376.865 3.962 0 40 GHAB Cc1cc(-c2ccccc2)nc(SCC(=O)NCc2ccc3c(c2)OCO3)n1 7623705 MKEFUIRFZQVGEF-UHFFFAOYSA-N 393.468 3.589 0 40 GHAB CN(C)C(=O)[C@@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 7805887 OSMVGOAFVJDPKW-NRFANRHFSA-N 389.455 3.736 0 40 GHAB CC(=O)Nc1ccc(NC2=C(Cl)C(=O)N(c3cccc(C)c3C)C2=O)cc1 7996440 SAYFUZCBSMEFON-UHFFFAOYSA-N 383.835 3.698 0 40 GHAB CCc1nn2c(C)c(C(=O)Nc3cccc(OC)c3)nnc2c1-c1ccccc1 9476907 WSANGXVNWVFNLQ-UHFFFAOYSA-N 387.443 3.923 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)NC(C)(C)C2 19874496 VMSUUWJLPVLAJW-FQEVSTJZSA-N 387.476 3.743 0 40 GHAB CSc1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1F 72297575 SUFKEHCAMUQSJB-UHFFFAOYSA-N 388.873 3.825 0 40 GHAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NC1(C(=O)O)CCCCC1 95349571 VJJXSJNOILVMGF-UHFFFAOYSA-N 376.840 3.831 0 40 GHAB C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)/C=C/c1cnc2ccccc2n1 95430430 QHVBKRAENNOUSF-DMGQIGSTSA-N 396.491 3.547 0 40 GHAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900670 AEFFIEOELBIEIS-AOMKIAJQSA-N 389.499 3.897 0 40 GHAB COc1ccc(OCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 9911745 RWAODNWRLAGSDY-QFIPXVFZSA-N 385.460 3.749 0 40 GHAB COc1ccc(Cc2nnc3n2N=C(c2ccccc2)[C@@H](C)S3)cc1OC 89919814 SYJOHXONCGGQQJ-CYBMUJFWSA-N 380.473 3.633 0 40 GHAB CC(C)c1ccccc1N(CC(=O)NCc1ccccc1Cl)S(C)(=O)=O 22391645 LPWIAMKGRBAWLN-UHFFFAOYSA-N 394.924 3.546 0 40 GHAB Cc1cc(C)cc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 22273620 DZSHTPONSMEWRK-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1 67299451 DNDDGQVHQVRUSA-OAHLLOKOSA-N 398.532 3.892 0 40 GHAB Cc1ccc(CC(=O)N2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 306137914 RJZRLZDQLIALMP-NRFANRHFSA-N 397.482 3.658 0 40 GHAB COc1cc(/C=C/C(=O)Nc2nnc(-c3cc(C)oc3C)o2)cc(OC)c1OC 56905221 YKZVXMHCMYECOJ-VOTSOKGWSA-N 399.403 3.624 0 40 GHAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)Cc1nnc(O)c2ccccc12 515323326 FRKPUGKYFBZCPZ-UHFFFAOYSA-N 390.365 3.601 0 40 GHAB CCc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 36666493 GUWGAZVAAOYJMJ-INIZCTEOSA-N 386.517 3.525 0 40 GHAB CCc1nnc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)s1 36635949 OMOQCRZYGGYKEF-UHFFFAOYSA-N 378.251 3.791 0 40 GHAB CCC(=O)N[C@@H]1CCc2ccc(OC)cc2[C@H]1OC(=O)[C@H](OC)c1ccccc1 77302247 UDKLJDIBERKFNQ-CEMLEFRQSA-N 397.471 3.508 0 40 GHAB in-vitro Cc1nn(C)c2sc(C(=O)Nc3cccc(C(=O)Nc4ccccn4)c3)cc12 72062700 XXFWXNIRLHZSLN-UHFFFAOYSA-N 391.456 3.843 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3SC)c(Cl)cc21 223366022 QUAFVQLAXMRMTC-UHFFFAOYSA-N 398.893 3.791 0 40 GHAB CC(C)[C@H](C)NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 225228412 SSYDMLBLWLYAFA-HNNXBMFYSA-N 392.496 3.566 0 40 GHAB CN1CCN(c2ccc(N)cc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 226258640 RXQXROLDNWYKRE-UHFFFAOYSA-N 386.499 3.940 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)N(C)Cc2ccc3c(c2)OCCO3)n1 40104878 PEECDIBUIICCPP-UHFFFAOYSA-N 392.459 3.924 0 40 GHAB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 222890977 VDACMNDJCITTSH-SFHVURJKSA-N 387.476 3.749 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 222963677 XAFKCPVFENHVHL-HXUWFJFHSA-N 396.531 3.916 0 40 GHAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O 223257674 MSNZTQXUTNXDKF-JOCHJYFZSA-N 382.504 3.571 0 40 GHAB Cc1cc(C)cc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 222759129 JXMADJCBEDVKGD-UHFFFAOYSA-N 396.512 3.539 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 222946741 FJQAOJUEUMSOBB-JOCHJYFZSA-N 380.532 3.912 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 223671711 NIPWGIVMMDHGBS-IBGZPJMESA-N 382.504 3.544 0 40 GHAB O=C(NC[C@]1(O)CCOc2ccccc21)C1c2ccccc2Oc2ccccc21 77099966 XJQRRCGNYGNGRF-XMMPIXPASA-N 387.435 3.711 0 40 GHAB Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(C)cc2)cc1 41157875 PDKCBHUCVGPMEE-QHCPKHFHSA-N 386.495 3.961 0 40 GHAB O=C(Cn1ccc2cc(Br)ccc21)NCc1nc2ccccc2[nH]1 96345199 NAGGNPFIPAQVBA-UHFFFAOYSA-N 383.249 3.597 0 40 GHAB COc1cccc2c1NC(=O)[C@]21Nc2ccccc2C(=O)N1c1ccc(F)cc1 96191943 GVSCYJIDNKSPNW-QFIPXVFZSA-N 389.386 3.712 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)CC3CC3)CC2)Oc2ccccc21 96243097 KPQSZYZPOVIDIL-GOSISDBHSA-N 384.520 3.629 0 40 GHAB CC1(C)CCCN(C(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)C1 95471633 MECGLYQQBTVVGT-UHFFFAOYSA-N 386.945 3.535 0 40 GHAB Cc1c(F)cccc1NC(=O)CN1C[C@H](c2ccc(F)cc2)[C@H]2COCC[C@H]21 257318395 VNTCVEJTOHYKLV-DBXWQHBBSA-N 386.442 3.716 0 40 GHAB COc1c(C)cc(C)cc1S(=O)(=O)N1CC2(CCOCC2)c2ccccc21 585079897 MHKHVBHDZCVYLV-UHFFFAOYSA-N 387.501 3.569 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc(C(=O)NN2[C@H](C)CCC[C@H]2C)cc1 254514572 QFROWPANECRLGK-BRSBDYLESA-N 386.540 3.502 0 40 GHAB Cc1nc([C@@H]2CCN(C(C)C)C2)nc2c1CCC(=O)N2CCc1ccccc1F 257273270 NFXKCDOPWYSNED-GOSISDBHSA-N 396.510 3.644 0 40 GHAB O=C(CN1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257307530 SZCDBRMAVFMFHP-HXUWFJFHSA-N 381.520 3.847 0 40 GHAB O=C(c1cc(-c2ccccc2F)no1)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1 257211124 BXOJBOIFULHKAE-LIVBEALHSA-N 393.418 3.805 0 40 GHAB CC1CCN(c2cc(N3CCC[C@H](C)C3)nc(NC(=S)NC(C)C)n2)CC1 260732847 BXWQYCPNMHCPRT-INIZCTEOSA-N 390.601 3.644 0 40 GHAB Cc1nc(-c2ccc(CNC(=O)N3CCC[C@H](c4ncc[nH]4)C3)s2)cs1 590151418 NMWJFOVHRHYDEE-ZDUSSCGKSA-N 387.534 3.992 0 40 GHAB O=C(c1cscc1C(F)(F)F)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 622782923 XKRLIUKTEYDQFM-GFCCVEGCSA-N 395.468 3.729 0 40 GHAB CC(C)(C)OC(=O)N[C@H](Cc1cc2cc(Br)ccc2o1)C(=O)O 44319218 OPJKMLLLVWMTCH-GFCCVEGCSA-N 384.226 3.716 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccc2nsnc2c1 675008346 SZSHUWRKBFMOBD-AWEZNQCLSA-N 387.511 3.945 0 40 GHAB Cc1cc(NC(=O)N2CC[C@@]3(c4ccccc4)[C@H](C2)C3(F)F)cc(C(N)=O)c1 585101655 GYGFKLKSZSQQAF-FXAWDEMLSA-N 385.414 3.535 0 40 GHAB CCc1c(C(=O)CSc2nc(C)c(C)n2CCOC)[nH]c(C)c1C(C)=O 63429855 RXSNLFMISYTHFL-UHFFFAOYSA-N 377.510 3.523 0 40 GHAB COc1ccccc1Cc1nnc(NC(=O)Cn2ccc3ccc(F)cc32)s1 12148628 KTKFWTZIDJSBEJ-UHFFFAOYSA-N 396.447 3.870 0 40 GHAB Cc1cn2c(/C=C/C(=O)NCCCn3cnc4ccccc43)c(C)nc2s1 12560018 UNJNJLJLYTXUHC-CMDGGOBGSA-N 379.489 3.582 0 40 GHAB O=C(Cc1ccccc1F)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 13070906 OECZOHMRWHVOPV-UHFFFAOYSA-N 390.480 3.572 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715207 NITNJLGPWKEDQD-INIZCTEOSA-N 384.860 3.662 0 40 GHAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Cl)cn1 14196047 UDUVKPWANRNVOS-UHFFFAOYSA-N 398.816 3.515 0 40 GHAB O=C(N[C@@H](c1ccccn1)C1CCN(Cc2cccc(F)c2F)CC1)C1CC1 19400860 NAYMYVOWGRBVTC-OAQYLSRUSA-N 385.458 3.839 0 40 GHAB CC(C)NC(=O)c1cccnc1[C@@H]1CCCN(C(=O)CCc2ccccc2F)C1 19709317 SIOKXUXVXTUSNW-GOSISDBHSA-N 397.494 3.698 0 40 GHAB CC(C)c1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)on1 19712823 XOBGRCCYPIOOKZ-CDXJDZJCSA-N 399.466 3.604 0 40 GHAB Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccc2c(c1)CCC(=O)N2C 162059443 KUTNWMFFFWIVGC-UHFFFAOYSA-N 394.862 3.995 0 40 GHAB CN1CCN(Cc2cccnc2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19589533 YBUYNJFGTLCFJI-XMMPIXPASA-N 385.511 3.882 0 40 GHAB CC(=O)N[C@H]1C[C@@H](c2ccccc2)O[C@@H](c2cc(C)cc(C)c2OCC(=O)O)C1 257274536 NLMHJGCURLWDKJ-SESVDKBCSA-N 397.471 3.864 0 40 GHAB O=C([C@@H]1CCCN(Cc2csc(C3CCCC3)n2)C1)N1CCSCC1 1889130286 SCRNRSITEWTICH-MRXNPFEDSA-N 379.595 3.588 0 40 GHAB COc1ccccc1CN1CCC[C@@H](COc2ncc(Br)cn2)C1 1776009371 XSXGXZBVWFOOOE-CQSZACIVSA-N 392.297 3.539 0 40 GHAB O=C1C[C@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 4380274 XOLVWCSAOKQGPM-DUOKCRBOSA-N 386.234 3.953 0 40 GHAB CCOc1cc(-c2nnc(NC(=O)c3ccco3)o2)cc(OCC)c1OCC 4479404 MGYUPVDFCQNXMZ-UHFFFAOYSA-N 387.392 3.778 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cc1 5250620 GFQZVTQBQIZTES-UHFFFAOYSA-N 388.489 3.656 0 40 GHAB Cc1ccc(-n2ccnc(SCC(=O)Nc3ccc(F)cc3)c2=O)cc1F 9761442 HKIINKYFYOCMRX-UHFFFAOYSA-N 387.411 3.550 0 40 GHAB CC[C@@H](OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 23224659 VIQBAUPXISBFMX-FGZHOGPDSA-N 388.939 3.991 0 40 GHAB O=C(Cc1ccc(F)cc1)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 43989958 FFKSWAAZIBREOY-UHFFFAOYSA-N 394.446 3.783 0 40 GHAB CC(C)c1ccc(OCC(=O)N2CCC[C@@H](Oc3ncc(Cl)cn3)C2)cc1 575613713 SJIJVGMBTYFNKD-GOSISDBHSA-N 389.883 3.702 0 40 GHAB COc1ccc(CCNC(=S)Nc2ccc(OC(F)F)cc2)cc1OC 4134943 GIPQNRHTZKQNDK-UHFFFAOYSA-N 382.432 3.834 0 40 GHAB CCC(=O)N1CCCc2ccc(NC(=O)c3ccc(Br)o3)cc21 17247830 HAZUEAIJOIIFHW-UHFFFAOYSA-N 377.238 3.984 0 40 GHAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(Cl)ccc4O)ccc1c23 19923850 RLJNEVNOGUQFCY-UHFFFAOYSA-N 388.832 3.590 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2nc3ccccc3s2)C1 40114648 BLOYYGFPAMBVFB-HNNXBMFYSA-N 395.484 3.558 0 40 GHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)CCc1ccc(O)cc1 40103799 LONRQOWQWBSYFH-SFHVURJKSA-N 396.535 3.595 0 40 GHAB C[C@@H](CNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)N(C)c1ccccc1 40121266 IOMBLZRZZXORHQ-SFHVURJKSA-N 394.515 3.911 0 40 GHAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1nc2ccc(Br)cc2s1 100296776 YRLQTVLZBUOZGD-VLIVSTDHSA-N 393.262 3.520 0 40 GHAB COc1cccc2ccn(CC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)c12 32103614 RCJTXRLVVHQVEG-UHFFFAOYSA-N 398.890 3.814 0 40 GHAB COc1ccc(OC)c2c1cc(C(=O)N1CCc3[nH]c4ccccc4c3C1)n2C 20761510 PCYAIFHVEPPKAT-UHFFFAOYSA-N 389.455 3.875 0 40 GHAB biogenic CCOc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Br 41095873 KSRAPEJSPNFWGU-UHFFFAOYSA-N 396.306 3.989 0 40 GHAB COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)c1 11972142 SWRHDWCMPFURDM-LLVKDONJSA-N 395.440 3.790 0 40 GHAB CNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 884130 FFEOCBNSVPDUSX-UHFFFAOYSA-N 395.528 3.660 0 40 GHAB O=C(CCCc1nc2ccccc2s1)NCc1ccc(-n2ccnc2)nc1 32876131 HSGMDJOUOMLUJD-UHFFFAOYSA-N 377.473 3.516 0 40 GHAB COc1cc(-c2nnc(N(C(=O)C3CCC3)C(C)C)s2)cc(OC)c1OC 1345704 LPCCPFLUCUBSBN-UHFFFAOYSA-N 391.493 3.772 0 40 GHAB CC(=O)N[C@H](CC(=O)OCc1cc(Cl)cc2c1OCOC2)c1cccs1 12175249 QGNDZQZILQIALF-OAHLLOKOSA-N 395.864 3.579 0 40 GHAB Cc1noc2nc(-c3cccs3)cc(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)c12 102152899 QZTYVVZFPSTEMW-KBPBESRZSA-N 382.489 3.615 0 40 GHAB Cc1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 8041461 BQFITPQMBYXYQP-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB CC(C)(C)c1ccc(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 33453880 VJVKDENXLUFQKC-UHFFFAOYSA-N 390.524 3.630 0 40 GHAB COc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccccc1 8535048 AONOAGZFRXAGIU-CYBMUJFWSA-N 380.282 3.507 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)o1 8571626 MAZDBHWAEJBLTH-HNNXBMFYSA-N 383.473 3.927 0 40 GHAB Cc1cccc(C(=O)OCc2cc(=O)n3nc(-c4cccs4)sc3n2)c1 8605618 MUAYDAIGMDRFQQ-UHFFFAOYSA-N 383.454 3.545 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2ccc(I)cc2)c1 682189 CZZJDYMMFSDDIL-UHFFFAOYSA-N 383.185 3.561 0 40 GHAB Cc1cc(C(=O)Nc2nccc(-c3ccco3)n2)c2c(C)nn(C(C)C)c2n1 8782548 NQQSTGJVTFEAPN-UHFFFAOYSA-N 376.420 3.931 0 40 GHAB Cc1cccc(-c2nn3c(O)cc(C[C@@H](C)n4nc(C)nc4C)nc3c2C)c1 100776339 HSGKPZBSJBLVAS-CYBMUJFWSA-N 376.464 3.731 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1OC 19908498 PKGDWSYKKAZKGU-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB Cc1csc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)n1 23055147 QSMMHBZUJDQVPU-UHFFFAOYSA-N 391.449 3.644 0 40 GHAB Cc1ccccc1N1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 23109855 CCCDORBWAPHSQK-JOCHJYFZSA-N 376.500 3.710 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1cn2nc(-c3ccccc3)c(=O)nc2s1 954386 OFJWSNKNDOCLPE-UHFFFAOYSA-N 382.832 3.724 0 40 GHAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(N2CCOCC2)nc1 24259952 AIOZIXHAVVGIBN-MRXNPFEDSA-N 389.908 3.539 0 40 GHAB C[C@@H]1CCN(C(=O)CCN2C(=O)COc3ccccc32)c2ccccc2S1 24585654 PMVSOVATMYQXNU-OAHLLOKOSA-N 382.485 3.720 0 40 GHAB Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(OC(F)F)cc2)cc1 24773610 KFIHEERKAZPAEF-UHFFFAOYSA-N 390.415 3.908 0 40 GHAB O=C(Oc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1cccs1 100395072 XHGZYNLGRJNQFF-TWTFDDHTSA-N 391.448 3.525 0 40 GHAB Cc1cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c2c(C)nn(C)c2n1 25169666 DNIDAFSCYIEDIO-UHFFFAOYSA-N 391.519 3.501 0 40 GHAB CCn1nc(C)c(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1C 58310153 IIOHHMJBAJWPQD-UHFFFAOYSA-N 396.470 3.896 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1OCC 3252334 CNXAOJCEEYHYNI-UHFFFAOYSA-N 391.851 3.611 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 3255879 QRFJVLYJYPWXTK-QHCPKHFHSA-N 389.455 3.602 0 40 GHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1ccc(C(=O)O)cc1 3277438 DHEYLYPADJBRNO-UHFFFAOYSA-N 394.412 3.647 0 40 GHAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccncc1 57341587 AQPWZCJIHLKYTJ-HXUWFJFHSA-N 393.874 3.913 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)cc1 57477402 CEPJDDAAVWZZRV-CYBMUJFWSA-N 381.432 3.594 0 40 GHAB Cc1ccc(S[C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 22913152 RQQWOQVLBBQJGT-GOSISDBHSA-N 384.545 3.624 0 40 GHAB Cc1cc(C)c(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(C)c1 27530673 GPOCPOMHODSFCV-UHFFFAOYSA-N 378.925 3.776 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccnc1Nc1cccc(F)c1 44852012 BUBZVIOADLEAJK-KRWDZBQOSA-N 393.418 3.876 0 40 GHAB C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(SC(F)(F)F)cc2)C[C@@H](C)O1 21061712 WBESNEKSJWHIPX-CHWSQXEVSA-N 390.471 3.916 0 40 GHAB CN1C(=O)c2ccc(NC(=O)CSCc3cccc4ccccc34)cc2C1=O 58485964 RLPALJXAEOXJGT-UHFFFAOYSA-N 390.464 3.938 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)N2CCCC2)cc1 21911948 LCZAVHXQCMNXCF-OAHLLOKOSA-N 393.281 3.618 0 40 GHAB CSCc1cccc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c1 36392015 FBUVCVMUWUQVPR-UHFFFAOYSA-N 396.556 3.903 0 40 GHAB NC(=O)c1ccccc1NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 2424193 YJXGBSLUYPDETD-UHFFFAOYSA-N 384.391 3.811 0 40 GHAB CCc1ccc(OCC(=O)Nc2nnc(-c3ccc(OC)c(OC)c3)s2)cc1 2453489 KVYNITZPSUDOAN-UHFFFAOYSA-N 399.472 3.802 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1 45714660 HXPTXMZAWDXTTI-TZIWHRDSSA-N 394.519 3.846 0 40 GHAB Cn1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1ccc(F)cc1 2523730 HHBGOBYGNABUCH-UHFFFAOYSA-N 378.379 3.630 0 40 GHAB CC(=O)Nc1cccc(C(=O)OCCOc2ccc(Br)cc2)c1 3461598 HNYGVLZQTARRRN-UHFFFAOYSA-N 378.222 3.643 0 40 GHAB Cc1c(Cl)c(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)nc2ccccc12 8750261 CKHNBBKXAVZJDC-UHFFFAOYSA-N 399.859 3.749 0 40 GHAB CC[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1OC 49700363 IEURSORKMPIFNY-SFHVURJKSA-N 380.404 3.670 0 40 GHAB C[C@@H](NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1)c1cccc(F)c1 65551207 SRZVVOYFWODRBO-GHMZBOCLSA-N 376.482 3.873 0 40 GHAB CNC(=O)c1ccccc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 19209310 WLSRWKNPOOTHKK-UHFFFAOYSA-N 379.464 3.748 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)cc1OC 6407125 SUIYPVJVAXWWBC-XBXARRHUSA-N 393.798 3.691 0 40 GHAB O=C(CCCCc1ccc(Br)cc1)N1CCCN2CCC[C@@H]2C1 65613533 JBZNGGPHYGITPM-GOSISDBHSA-N 379.342 3.859 0 40 GHAB CCn1c2ccccc2c2nnc(SCC(=O)N(C)Cc3cccs3)nc21 5490785 WOOQOLJRGXQFTR-UHFFFAOYSA-N 397.529 3.812 0 40 GHAB Cc1cccc(COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 5570358 QBDMQXOPFOCFAP-UHFFFAOYSA-N 375.380 3.741 0 40 GHAB CCOC(=O)Cc1csc(SCc2nnc(-c3ccc(F)cc3)o2)n1 6602631 FGXBKNIIQMYGJR-UHFFFAOYSA-N 379.438 3.730 0 40 GHAB Cc1ccccc1-c1noc(CN([C@H]2CCCc3ccccc32)S(C)(=O)=O)n1 6669762 GKDKYXMIPQJIDO-IBGZPJMESA-N 397.500 3.884 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3)[C@H]2C(C)C)cc1 4741204 QYDYJVHQHZHUMS-LJQANCHMSA-N 387.505 3.516 0 40 GHAB CCCOc1ccc([C@](O)(C(=O)OCCCN(CC)CC)c2ccccc2)cc1 4828960 HQNZDWOWAYTTBM-DEOSSOPVSA-N 399.531 3.986 0 40 GHAB COc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1c(C)cc(C)cc1C)CC3 15842167 DNJRVLAZYKBXMJ-UHFFFAOYSA-N 382.485 3.920 0 40 GHAB CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C1=CCCC1 7735356 YZKSGUVKXGXVAF-HSZRJFAPSA-N 391.471 3.523 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(NC[C@H]2CCCO2)s1 8157043 JWWGJHNPSYSJEF-GFCCVEGCSA-N 388.518 3.894 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 8230319 ZPZPIAXJVBOBOH-UHFFFAOYSA-N 388.452 3.967 0 40 GHAB CC(=O)NCCc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1 8252339 SOCWNAVEDOIFNL-CYBMUJFWSA-N 398.532 3.533 0 40 GHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 9575596 PQHWMNQRDCXXSH-NRFANRHFSA-N 399.878 3.753 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)[C@H]1CCCC[C@H]1C(F)(F)F 84374388 AWPYTXUNNWUERP-JKSUJKDBSA-N 379.382 3.599 0 40 GHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1cccnc1)c1ccc(F)cc1 84678339 UOYVESLVOFNGNC-QVKFZJNVSA-N 378.403 3.982 0 40 GHAB COc1ccc(S(=O)(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)cc1 95958335 TXBFDGZHUPMJRO-UHFFFAOYSA-N 383.473 3.868 0 40 GHAB COc1ccc(C(=O)[C@@H]2CCCN2Cc2nnc(-c3ccc(OC)cc3)o2)cc1 89455421 DPJBXJRRVAOCNX-IBGZPJMESA-N 393.443 3.601 0 40 GHAB Cc1cn(C2CCCCC2)[nH]c1=NC(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1 556719693 BJVXNIMJKVWPEM-RBUKOAKNSA-N 383.496 3.508 0 40 GHAB COc1ccc(Cn2nnnc2[C@H](c2cccs2)N2CCC[C@H](C)C2)cc1 33936901 CBHBBKLIELWRQS-KXBFYZLASA-N 383.521 3.613 0 40 GHAB C[C@@H](Sc1n[nH]c(=NCc2ccccc2)s1)C(=O)c1c[nH]c2ncccc12 502293505 NKWCAMQKVKHVGI-GFCCVEGCSA-N 395.513 3.812 0 40 GHAB CN(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1Oc1ccccc1 60351181 UYYITPDBGKQBCW-AWEZNQCLSA-N 392.377 3.853 0 40 GHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cccc(Cl)c1F 511178737 QYKNMZPXBHZDQY-UHFFFAOYSA-N 379.222 3.890 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 36752166 ZMPSGCJAGYHNHQ-INIZCTEOSA-N 375.852 3.796 0 40 GHAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 219318691 VPBVRCPAZSXJBX-PMACEKPBSA-N 389.517 3.823 0 40 GHAB O=C(c1ccccn1)N1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 72362244 LECWPLJKFTXLNE-OAHLLOKOSA-N 378.407 3.823 0 40 GHAB Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)CCc2ccccc2)ccn1 72357484 IODOPVXVEFLGQE-IBGZPJMESA-N 375.476 3.740 0 40 GHAB COc1ccc(-n2nnnc2C2(Nc3ccc(OC)c(OC)c3)CCCC2)cc1 35622545 BKXKKEZLIINREH-UHFFFAOYSA-N 395.463 3.570 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C)c(C)c3)n2)cc1 219522784 IQHMBUQKNWXEGA-MRXNPFEDSA-N 395.459 3.788 0 40 GHAB O=C(Cc1ccccn1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72358855 QLBDTNCMEPSXRL-MRXNPFEDSA-N 376.435 3.626 0 40 GHAB Cc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)C3CCOCC3)C2)cc1 72362908 GSZAYBIHJBAHKO-SFHVURJKSA-N 381.476 3.710 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1Cl 222644045 SZTBOZBANVMYAQ-UHFFFAOYSA-N 389.835 3.859 0 40 GHAB CC[C@H](C)NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225986496 IMUBBEFSONTRSA-AWEZNQCLSA-N 394.924 3.622 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2OC)cc1 222780453 UUMNVSZZBUJFRT-RGEXLXHISA-N 392.411 3.706 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccccc1Cl 222999420 ZWRKBOSCEAHKMP-SFHVURJKSA-N 388.895 3.581 0 40 GHAB CC[C@H]1C[C@@H](NC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)CCO1 572508288 CVSJGYZYYFPWHR-HOTGVXAUSA-N 375.444 3.814 0 40 GHAB CS(=O)(=O)N(CCCC(=O)Nc1cccc(Cl)c1)c1ccccc1F 222650175 RCYQBORVUKTWMT-UHFFFAOYSA-N 384.860 3.664 0 40 GHAB COc1ccc(-c2noc([C@@H](C)NC(=O)NC3CCCCC3)c2C(=O)O)cc1 96297067 WDNVWYAPTQTEBB-GFCCVEGCSA-N 387.436 3.741 0 40 GHAB biogenic,in-vitro CN1CCCCC[C@@H]2N(C(=O)c3cnccn3)[C@H](Cc3ccccc3)C[C@@]21C 257328899 XHNGLIUBRRLRAS-NWSQWKLXSA-N 378.520 3.567 0 40 GHAB CN1CCC[C@@H]2N(C(=O)c3cccc(Cc4ccccc4F)n3)CCC[C@@]21C 257225659 FHFLZJJSSRRUEC-GMAHTHKFSA-N 381.495 3.900 0 40 GHAB COc1ccc(OCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 260846291 KROUASWWVBAJQE-SFHVURJKSA-N 382.504 3.736 0 40 GHAB O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)N[C@@]12CCC[C@H]1C2 666172692 OGRVFVBZHWRNKR-KBXCAEBGSA-N 389.297 3.952 0 40 GHAB CN(C(=O)c1cccc(N2CCCC2)c1)[C@@H]1CCCN(c2ccccc2)C1=O 668826008 SYSLQXVMUQBSIN-OAQYLSRUSA-N 377.488 3.554 0 40 GHAB COc1cc2nc(N3CCC(c4ccccc4F)CC3)[nH]c(=N)c2cc1OC 605570396 GPTBUQBVPQQWGA-UHFFFAOYSA-N 382.439 3.583 0 40 GHAB O=C(c1ccccc1SCc1cn2ccccc2n1)N1CCc2n[nH]cc2C1 620898956 XOUFCCYCDPSAMK-UHFFFAOYSA-N 389.484 3.548 0 40 GHAB C[C@@H]1CN(C(=O)NCc2cccc(COC[C@@H]3CCCO3)c2)C[C@@H](C)C1(F)F 624394271 ZLXVQCBLBDQLKH-MDZRGWNJSA-N 396.478 3.815 0 40 GHAB Cc1nc(/C=C/C(=O)N2CC[C@@H](O)[C@H](Cc3ccc(Cl)cc3)C2)cs1 585290269 PNWWGEJPXVJLGC-YOBDTOFLSA-N 376.909 3.570 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2CCN(C)C(=O)C2)cc1F 56461570 IXMNNJDPPRKDNN-AWEZNQCLSA-N 386.423 3.742 0 40 GHAB c1ccc(CN(Cc2cccc(Oc3ncccn3)c2)C[C@@H]2CCCO2)nc1 97360255 PMGWZRJIJJXECK-NRFANRHFSA-N 376.460 3.845 0 40 GHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1C 5109725 MRPPMFDRHMEIPQ-UHFFFAOYSA-N 389.260 3.691 0 40 GHAB Cc1cc2c(nc1C)sc1c(=O)n(CC(=O)Nc3cccc(Cl)c3)cnc12 13690799 SEBAZHGWAMWOGF-UHFFFAOYSA-N 398.875 3.915 0 40 GHAB COc1ccc(-n2ncc3c2C[C@@H](c2ccc(OC)cc2OC)CC3=O)cc1 14164220 DNRWMNFKZSLGPQ-CQSZACIVSA-N 378.428 3.811 0 40 GHAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCc1nc(-c2ccccc2)cs1 19080196 KMRJEERRLDFUTN-CQSZACIVSA-N 396.468 3.665 0 40 GHAB COc1cccc(C2=NO[C@@H](C(=O)N3CCCCC[C@@H]3c3cc(C)no3)C2)c1 19120100 ZXQXTNZBHRGXBE-UYAOXDASSA-N 383.448 3.629 0 40 GHAB Fc1cccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 19293822 RSBDMLXXPRHKHD-CWRNSKLLSA-N 383.393 3.617 0 40 GHAB C[C@@H](Cn1cnc2ccccc21)C(=O)NCc1noc(-c2ccc(Cl)cc2)n1 19457766 MOWGCLKJIYYQGY-ZDUSSCGKSA-N 395.850 3.692 0 40 GHAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3cnn(C)c3)c2)cc1 19690718 GHPOGYANKULKMJ-OAQYLSRUSA-N 376.460 3.776 0 40 GHAB CSc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 6590643 IYNUECZOLXQQLD-CYBMUJFWSA-N 391.924 3.959 0 40 GHAB CC(C)OC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 15361924 JAXNKHFDTUOLKK-CYBMUJFWSA-N 387.910 3.763 0 40 GHAB COc1ccc(C(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)cn1 1890259937 UZNFPZJKLMFKOM-UHFFFAOYSA-N 382.851 3.707 0 40 GHAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cccc(C2SCCCS2)c1 16234506 RJIVLKHPDRFQIV-UHFFFAOYSA-N 375.519 3.727 0 40 GHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)C1(c2cccs2)CCCC1 38643455 ZELRNBLRLULUJI-MRXNPFEDSA-N 390.574 3.811 0 40 GHAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)cc1C 2037912987 JJUGFEFZBJVHIT-XMMPIXPASA-N 392.499 3.760 0 40 GHAB CCn1nc(C(C)C)cc1C(=O)N1CCC(O)(COc2ccc(C)c(C)c2)CC1 2037916206 UVZBLNOLPMXYAP-UHFFFAOYSA-N 399.535 3.689 0 40 GHAB CCOC(=O)[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2 2496908 ZMXOHWCYIRGRIN-JTQLQIEISA-N 396.921 3.578 0 40 GHAB CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(OCCC(C)C)cc1 4593496 ZMGNDJCZZMQELQ-NRFANRHFSA-N 399.487 3.721 0 40 GHAB COc1ccc(Cl)cc1-n1nnc(-c2nc(-c3ccc(C)cc3)no2)c1N 6868175 YSMGKVIJRQSAOK-UHFFFAOYSA-N 382.811 3.537 0 40 GHAB COc1ccc(Cn2ccnc2SCC(=O)Nc2ccccc2OC)cc1 7391826 GYBCLSHNTWDTPO-UHFFFAOYSA-N 383.473 3.679 0 40 GHAB O=C(c1ccccc1)N(CCCN1CCOCC1)c1nc2c(F)cccc2s1 22997425 UHXQNTMEJAGUCJ-UHFFFAOYSA-N 399.491 3.805 0 40 GHAB CCOC(=O)[C@H](CC)Sc1ncnc2c1cnn2-c1ccc(Cl)cc1 4341671 DWOTYDDODXZMGV-AWEZNQCLSA-N 376.869 3.903 0 40 GHAB O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H]1c1cccc(F)c1 15671031 UOLHZWCHIBNLKE-HNNXBMFYSA-N 389.228 3.608 0 40 GHAB COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1Cl 5248837 UFZBTKMONASSNL-MKMNVTDBSA-N 393.226 3.761 0 40 GHAB O=c1[nH]c(NCCc2c[nH]c3ccc(Cl)cc23)nnc1Cc1ccc(F)cc1 4818449 LDKWFQLMVWYHGY-UHFFFAOYSA-N 397.841 3.684 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)C[C@H](NC(N)=O)c1ccccc1F 40069176 YALLLKKBFDYSEZ-INIZCTEOSA-N 387.455 3.870 0 40 GHAB COc1cccc([C@@H](CNC(=O)c2cc(Cl)c(Cl)n2C)N2CCCC2)c1 30671601 VDUDIXXQTMMYIU-QGZVFWFLSA-N 396.318 3.907 0 40 GHAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccc3c(c2)OCO3)cc1 100221768 QQPYDLFOXKZNHL-USEHDAJUSA-N 375.380 3.519 0 40 GHAB CCOc1cc(C(=O)Nn2cnc3ccccc32)ccc1OCc1ccncc1 31892755 KTCBZWVKSAZNNI-UHFFFAOYSA-N 388.427 3.793 0 40 GHAB Cc1cccc(-n2c3c(c(=O)[nH]c2=S)CN(CCc2ccccc2)CN3)c1C 20567643 LWOYLDNGRDGMGT-UHFFFAOYSA-N 392.528 3.940 0 40 GHAB COc1cccc2c1O[C@@]1(C(=O)O)C[C@H]2Nc2[nH]nc(-c3ccc(Cl)cc3)c21 101353873 AZKFIVNGHXEASP-XCLFUZPHSA-N 397.818 3.968 0 40 GHAB O=C(NCCc1ccc2c(c1)OCO2)c1ccc(NC(=O)c2cccs2)cc1 32741239 ZFOGYAKBCLFWOA-UHFFFAOYSA-N 394.452 3.702 0 40 GHAB O=C1COc2ccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)cc2N1 32722372 GPSGGLVBLTXKPM-UHFFFAOYSA-N 384.395 3.813 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CNC(=O)C(C)(C)C)c2ccccc2)c1 21504189 DSLGXKKTIPOLJJ-HXUWFJFHSA-N 396.487 3.689 0 40 GHAB Cn1ccnc1[C@H](NC(=O)NCCOc1ccccc1)c1ccc(Cl)cc1 32802273 YVJQMAFAKVPGEF-GOSISDBHSA-N 384.867 3.541 0 40 GHAB Cc1cc(C)n(CCCNC(=O)COC(c2ccccc2)c2ccccc2)n1 32896342 GLQHIWQKXZEIIO-UHFFFAOYSA-N 377.488 3.812 0 40 GHAB COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 2617895 HVUMQRXFICPOJR-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1 2640734 FUUKYKHIFMYOMO-CYBMUJFWSA-N 391.928 3.803 0 40 GHAB CSCc1ccc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 29999999 AEQKBCSBMRTWMM-JOCHJYFZSA-N 397.588 3.658 0 40 GHAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1ccccc1 903347 SQXFIUFJBMXOPH-UHFFFAOYSA-N 398.488 3.616 0 40 GHAB O=C(CCc1nc2ccccc2s1)NC1CCN(C(=O)c2ccccc2)CC1 32843033 BGVZHGRRADZSLU-UHFFFAOYSA-N 393.512 3.650 0 40 GHAB CCc1ccc2c(c1)cc(CN(Cc1ccco1)C(=O)C1CCC1)c1nnnn12 1367377 LYVUHPOHXLUUDU-UHFFFAOYSA-N 389.459 3.762 0 40 GHAB CC(C)N(C(=O)CSc1nnc(NC(=O)c2cccc(F)c2)s1)C(C)C 1371425 AEBAAWYXEOBNIU-UHFFFAOYSA-N 396.513 3.667 0 40 GHAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(OC(F)(F)F)c1 32908582 VPHKFEJEGWPFTG-UHFFFAOYSA-N 393.770 3.651 0 40 GHAB CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(Cl)cc3)c(=O)n1C2 4237129 FSCRICQQJLFFOK-GOEBONIOSA-N 385.895 3.706 0 40 GHAB biogenic,in-vitro CCCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N2 4369472 KBWNONUCKYJXPW-HNNXBMFYSA-N 376.457 3.771 0 40 GHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 7382311 NOHASNBMLQLRBY-IBGZPJMESA-N 376.859 3.985 0 40 GHAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)cc1 7955811 OXQAACCLFKCVAF-UHFFFAOYSA-N 379.382 3.593 0 40 GHAB O=C(NCc1ccccc1OC(F)F)c1ccc(Cl)c(N2CCCC2=O)c1 10114833 OLAIJFOPPDAOKL-UHFFFAOYSA-N 394.805 3.998 0 40 GHAB CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1 8080233 PGHYWRITJLCNGQ-UHFFFAOYSA-N 382.485 3.709 0 40 GHAB COCCn1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N/c1cc(C)ccc1C 102962731 QGFSUXKZXZMTFO-XTQSDGFTSA-N 397.500 3.517 0 40 GHAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc4c(c3)NC(=O)CO4)o2)cc1 22744777 RUHYENVDYDXMLQ-LBPRGKRZSA-N 395.440 3.739 0 40 GHAB Cc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)c1 876814 XDCYHBHRCATZBV-FNWSHLARSA-N 378.428 3.588 0 40 GHAB CCN(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1nc2ccccc2s1 23042148 QAVUKGYOBRNLTK-UHFFFAOYSA-N 392.484 3.909 0 40 GHAB C[C@@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)c1ccc2c(c1)CCC2 24280946 NXTVDFQDXAGCAP-OAHLLOKOSA-N 385.504 3.574 0 40 GHAB Cn1ccnc1[C@H](NC[C@H](O)CO[C@@H]1CCCc2ccccc21)c1ccccc1 12520382 FYVAFCCWQJBDQY-MDNUFGMLSA-N 391.515 3.554 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1Cc1ccccc1 100586129 XPZOBDOJUUSDIU-AABGKKOBSA-N 390.464 3.795 0 40 GHAB O=C(Nc1ccc(OC(F)F)cc1)c1cccc(CN2C(=O)CSC2=O)c1 24778449 PWCMJBDLEKRKHW-UHFFFAOYSA-N 392.383 3.736 0 40 GHAB COC(=O)C1(NC(=O)CSc2ccc(Br)cc2)CCCCC1 25170995 FCHFGEKBVAFZMI-UHFFFAOYSA-N 386.311 3.533 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1ccccc1 25297776 KYHMKIAJRGZEOD-DNVCBOLYSA-N 377.448 3.610 0 40 GHAB O=C(Nc1ccccc1Cl)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 12589565 LFCYNSJBRVRZIF-QGZVFWFLSA-N 378.881 3.522 0 40 GHAB O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cnccn1 12578670 XVJJGCNWANFLLZ-KRWDZBQOSA-N 397.360 3.891 0 40 GHAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cc(F)ccc1F 57286789 GHSKQBXEJQPPMK-UHFFFAOYSA-N 399.363 3.744 0 40 GHAB Cc1cccc2nc(C(=O)O[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)cn12 26423772 DQRPQTXIRXJISV-GFCCVEGCSA-N 391.349 3.846 0 40 GHAB Cc1ccccc1Oc1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1 1795975 CWHVHARZUAFEQD-UHFFFAOYSA-N 377.462 3.711 0 40 GHAB biogenic O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1nc2ccc(Br)cc2s1 102626263 YRLQTVLZBUOZGD-XXHBBNRNSA-N 393.262 3.520 0 40 GHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2Br)N1 36025433 QXOOUBWXLCUYFT-DLBZAZTESA-N 385.261 3.707 0 40 GHAB biogenic CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 20112621 TZIJCSTXVJYELC-FQEVSTJZSA-N 382.460 3.727 0 40 GHAB COc1ccc2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)nc2c1 10237418 JGXDOMWYWPDHPH-UHFFFAOYSA-N 377.444 3.641 0 40 GHAB NC(=O)c1ccccc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 12602394 GSJKMYBJOSQOFE-UHFFFAOYSA-N 389.786 3.584 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2ccc(SC)cc2)c1 27947894 DPAYERBOGNUNJM-UHFFFAOYSA-N 399.921 3.669 0 40 GHAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccco2)cc1OC 2218537 IZSNAFNJNPHZDR-UHFFFAOYSA-N 375.450 3.544 0 40 GHAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1nnc([C@H]2CCCO2)s1 36357695 SBRRSSMWCAGJMO-CYBMUJFWSA-N 390.465 3.833 0 40 GHAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 3338124 GLYOVNOPZVYRJY-QHCPKHFHSA-N 387.439 3.554 0 40 GHAB CCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C1=O 3370928 DSCGSHJUTOOPBO-IBGZPJMESA-N 379.888 3.868 0 40 GHAB Cc1c(O)ccc2c(COC(=O)c3cccnc3SC(F)F)cc(=O)oc12 12736795 JEOGKLRXLTVHLT-UHFFFAOYSA-N 393.367 3.874 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3cc4ccc(F)cc4nc3C)CC2)cc1 12773929 BGZQDWRNGSGDRE-UHFFFAOYSA-N 391.446 3.847 0 40 GHAB CCOc1cc(C(=O)NC2CCCCC2)ccc1OCC(=O)N1CCCCC1 36811940 NSALPHSDPUBYJE-UHFFFAOYSA-N 388.508 3.539 0 40 GHAB Cc1nc(C)c(-c2nnc(S[C@H](C)C(=O)NCc3cccs3)o2)s1 12740755 KNYAHIKZLHGIJB-SECBINFHSA-N 380.520 3.668 0 40 GHAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 48956485 JWFWOFHUUWLERZ-QGZVFWFLSA-N 376.378 3.799 0 40 GHAB C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccc(Cl)s1 8473857 LZGARXWSVODOIW-VIFPVBQESA-N 397.953 3.510 0 40 GHAB Cc1c(N2C(=O)[C@@H](C)S[C@@H]2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 8716657 ZVFAEGAKCSDRSQ-SPLOXXLWSA-N 397.475 3.791 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2C)ccc1Cl 6328743 JBIVCNQIVBHHPV-BBRMVZONSA-N 386.945 3.679 0 40 GHAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NC1CCCCC1 17357304 YMWNJQALFMVVCJ-UHFFFAOYSA-N 390.480 3.618 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N3c4ccccc4CC[C@H]3C)ccc21 14100736 XKHWMDOIMIDMBG-OAHLLOKOSA-N 384.501 3.516 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)NC[C@H](c3cccs3)N(C)C)c12 14199549 BBDVNFJGAZAZNQ-OAHLLOKOSA-N 396.472 3.885 0 40 GHAB CCCOc1ccc2cc(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)oc2c1 14236132 JTDTUVQNRMJNDO-UHFFFAOYSA-N 387.457 3.848 0 40 GHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1c[nH]c2ccccc12 14246473 GIEDVIHGVIVSJD-UHFFFAOYSA-N 378.457 3.867 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(N2CCCCS2(=O)=O)c1 5439262 IHNQQDOQRRAFTL-UHFFFAOYSA-N 398.406 3.888 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc2n1CCCCC2 24833552 XFEUTWZHLAYUGU-UHFFFAOYSA-N 380.901 3.706 0 40 GHAB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2c(F)cccc2Cl)NC(=O)N1 6560710 NHVZOQSFQWJRMU-MRXNPFEDSA-N 377.778 3.885 0 40 GHAB Oc1ccccc1N1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1 6509868 ATIAOUCGBFUOEE-UHFFFAOYSA-N 380.517 3.992 0 40 GHAB O=C(NCc1cccnc1OCC(F)(F)F)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65989006 SFXMAYNAYJWYGJ-KKNUOHPOSA-N 383.414 3.743 0 40 GHAB C[C@H](NC(=O)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O)c1ccccc1 4679502 KOWUCHDHQCOKQA-YWZLYKJASA-N 394.858 3.803 0 40 GHAB O=C([C@H](Sc1nnnn1-c1cccc(F)c1)c1ccccc1)N1CCCCC1 5564981 XEBHEJYXJPHSOG-GOSISDBHSA-N 397.479 3.647 0 40 GHAB Cc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(Cl)c1 5637158 XYBAVRIHGGXDPY-UHFFFAOYSA-N 386.860 3.949 0 40 GHAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccn(Cc2c(Cl)cccc2Cl)n1 18056068 SMIOUIRQYRTLHT-VXGBXAGGSA-N 378.259 3.918 0 40 GHAB Cn1c(SCC(=O)NCc2ccc(Cl)cc2Cl)nnc1C(F)(F)F 6789477 VOADLGMIKJNGLR-UHFFFAOYSA-N 399.225 3.549 0 40 GHAB O=C(NCc1ccco1)[C@H]1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1 23142773 GRASXAIOAKQFNA-INIZCTEOSA-N 396.878 3.923 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2cccc3ccccc23)c2c(C)cccc21 4987996 SBSQMOIRUPITFA-DEOSSOPVSA-N 389.451 3.741 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3Cl)c2C)cc1 67323547 XTYDJCTZBANJIT-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB C[C@H]1Cc2cc(-c3csc(N4CCCCC4)n3)ccc2N1S(C)(=O)=O 7273822 QEDGKXDYAMGSTJ-ZDUSSCGKSA-N 377.535 3.511 0 40 GHAB Cn1c(C(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc(Cl)c1Cl 68029726 RMJLMHBPPBGLIY-GFCCVEGCSA-N 386.323 3.633 0 40 GHAB O=C1[C@H]2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc12 16001285 HOXQDOCVUHXVHU-HKUYNNGSSA-N 376.799 3.786 0 40 GHAB CCOC(=O)C1=C(CSCc2ccccc2)NC(=O)N[C@H]1c1cccs1 8936748 FQDJEMIHWXEYNL-KRWDZBQOSA-N 388.514 3.853 0 40 GHAB CCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 19909481 UOSYZRLMWYZHNE-UHFFFAOYSA-N 388.533 3.603 0 40 GHAB Cc1ccc(NC(=O)N[C@@]2(CO)CCCN(Cc3ccccc3)C2)cc1Cl 72288959 FGAMFAQLKQJGPG-NRFANRHFSA-N 387.911 3.797 0 40 GHAB CCOC(=O)CCN1CCC(N[C@@H](c2ccccc2)c2ccccc2OC)CC1 95986467 FDENVDXISMMRBZ-DEOSSOPVSA-N 396.531 3.792 0 40 GHAB CNC(=O)c1ccc(NC(=O)c2ccc(N3CCCCCC3)nc2)cc1Cl 89391903 SQWZPIPBTBQPQN-UHFFFAOYSA-N 386.883 3.727 0 40 GHAB CN(C)CCn1c(SCc2ccc(F)c(F)c2)nc2ccccc2c1=O 67258718 VLMBBMVCFIEEQS-UHFFFAOYSA-N 375.444 3.529 0 40 GHAB O=C(Cc1ccccc1)N1CC[C@@]2(C1)CN(Cc1ccccc1)c1cccnc12 306135806 PBMMQCFLRLKDFO-RUZDIDTESA-N 383.495 3.815 0 40 GHAB CC[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(OC)c(OC)c1 219232746 BGIOZWQQLPGAEL-IBGZPJMESA-N 396.487 3.707 0 40 GHAB CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 72320798 VBLQAYFYJLLXRC-ULQDDVLXSA-N 375.538 3.509 0 40 GHAB biogenic,in-vitro CN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 541816879 KJIYUKSLLOCTNI-ZWKOTPCHSA-N 396.409 3.509 0 40 GHAB O=C(O)c1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 72400767 SMUMNYOWDIFKDP-UHFFFAOYSA-N 383.407 3.925 0 40 GHAB COc1cccc(CN2CCC[C@H]([C@H](NC(=O)C(C)C)c3nccs3)C2)c1 72341413 IVCPPTPTNOGADB-HKUYNNGSSA-N 387.549 3.877 0 40 GHAB COc1ccc(CCn2cc(C(=O)NCC(C)C)c3ccccc3c2=O)cc1 72324876 JWTSMPADMIEGCE-UHFFFAOYSA-N 378.472 3.639 0 40 GHAB biogenic Cc1sc2nc([C@@H]3CCCN(C(=O)Cc4ccsc4)C3)[nH]c(=O)c2c1C 72334901 FTXYENUJXYJEAT-CQSZACIVSA-N 387.530 3.612 0 40 GHAB COc1ccccc1OCc1ccc(C(=O)NC[C@@H]2Cc3ccccc3O2)o1 40133575 OBCPMDISVYRYKG-KRWDZBQOSA-N 379.412 3.601 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 224702761 OYNQUCYBSNELPH-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 224631155 JRAHQJVTSOPPMG-QFIPXVFZSA-N 380.532 3.832 0 40 GHAB CC[C@@H](C(=O)NC1CCCCCCC1)N(c1ccccc1F)S(C)(=O)=O 220599491 BVUVVKNNXPZANG-KRWDZBQOSA-N 384.517 3.599 0 40 GHAB COC(=O)c1ccc(NC2CCCC2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223409879 NBXSTHMHNUJJGJ-UHFFFAOYSA-N 388.489 3.937 0 40 GHAB COC(=O)c1cc(NC(=S)NCCSCc2ccco2)ccc1Cl 225348150 TULIFLZUKJBCDJ-UHFFFAOYSA-N 384.910 3.939 0 40 GHAB CCCc1sc(C(=O)Nc2nc(CN3CCOCC3)cs2)cc1CC 40039317 XVQNULFCLSEHGS-UHFFFAOYSA-N 379.551 3.804 0 40 GHAB CCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 224914047 GQYRXQCHAWTFGR-UHFFFAOYSA-N 385.844 3.546 0 40 GHAB Cn1cccc1CN(Cc1cccs1)S(=O)(=O)Cc1cc(F)cc(F)c1 77200825 KDVDQDAGOUNBSL-UHFFFAOYSA-N 396.484 3.897 0 40 GHAB Cc1sc2nc(S[C@@H](C)C(=O)N3CCc4ccccc4C3)nc(N)c2c1C 40063008 XBVFHPSDPNKDDC-ZDUSSCGKSA-N 398.557 3.956 0 40 GHAB COc1ccc(NC(=O)N2CC[C@H]3COC(=O)N3c3cc(C)ccc3C2)cc1 225488497 UVARZBDTJZMPTK-KRWDZBQOSA-N 381.432 3.767 0 40 GHAB biogenic,in-vitro CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 225059941 CKFKTJAIISHPPY-FQEVSTJZSA-N 380.532 3.914 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 225096691 QOVPFHFKWPIQBU-NRFANRHFSA-N 382.504 3.571 0 40 GHAB Cc1cc(C)cc(CN2CCC3(CC2)C[C@H](NC(=O)c2cccs2)CO3)c1 96221237 SAFLOEUMZCFTCY-IBGZPJMESA-N 384.545 3.918 0 40 GHAB COc1ccc2cc(C(=O)NCC3CCN(C4CCSCC4)CC3)[nH]c2c1 238887265 QEYAXRMDELRGDE-UHFFFAOYSA-N 387.549 3.514 0 40 GHAB O=C(Cc1cc(F)c(F)cc1F)N1CCC(O)(c2ccc(Cl)cc2)CC1 95474833 ZGVUXUPHPVGVKE-UHFFFAOYSA-N 383.797 3.810 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Cc3c(C)noc3C)cc2)cc1 9218134 ZNKAHOWLVDKOIM-UHFFFAOYSA-N 399.472 3.582 0 40 GHAB O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21 668407704 CAOOGNCVZIUJKR-TVFCKZIOSA-N 395.503 3.615 0 40 GHAB CCN(CC)Cc1ccc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)o1 679872338 BBHLSFODCNCZGP-CQSZACIVSA-N 398.429 3.814 0 40 GHAB O=C(O)C1CCC(C(=O)NCC(F)(F)c2ccc(Br)cc2)CC1 621618250 QJYDVXFTBVCNJT-UHFFFAOYSA-N 390.224 3.548 0 40 GHAB CCCCCC(=O)NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 5946130 DYAFUXXUZOOUOG-UHFFFAOYSA-N 395.484 3.881 0 40 GHAB Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccccc3)n2C)c1 14117082 IPBHCCJFEULEPQ-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB C[C@@H](NC(=O)Cc1nnc(S)n1Cc1ccccc1)c1ccc(Cl)cc1 17959655 FSRFQATZYNPLHY-CYBMUJFWSA-N 386.908 3.688 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)C[C@@H]3CC(C)(C)OC3=O)[C@@H]3CCCC[C@H]32)cc1 19460974 UVODLVCEAXGFHQ-WLJLVMMNSA-N 385.504 3.815 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccccn3)cc2N1 19574788 AQLUEALZFCENLH-BYCMXARLSA-N 379.386 3.563 0 40 GHAB CN(C)C1CCC2(CC1)CN(C(=O)Cc1ccccc1)Cc1ccccc1O2 19584005 JWXCWEVLOJSINC-UHFFFAOYSA-N 378.516 3.893 0 40 GHAB CC(=O)N1CCC[C@H]1c1cc(N2CCN(Cc3ccc(F)cc3)CC2)cc(C)n1 19698262 SCAKULCMVNJWGC-QHCPKHFHSA-N 396.510 3.535 0 40 GHAB Cc1nc([C@H]2CCCN2C(=O)CC2CCCC2)nc2c1CCC(=O)N2CC(C)C 19740752 CHCXJXQPOWMEHM-LJQANCHMSA-N 398.551 3.964 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(NC(C)=O)c2)o1 19929266 GFSQDSPINSSOKF-UHFFFAOYSA-N 396.472 3.988 0 40 GHAB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccnc1 6323741 SZDDPHGLBOGRKQ-CIAFOILYSA-N 385.265 3.779 0 40 GHAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccccc1-c1csc(C)n1 208009625 OHMHPBXQYBEABI-CYBMUJFWSA-N 398.513 3.659 0 40 GHAB O=C1NCCCCCOc2ccc(C(=O)NCC3CC3)cc2Cc2cccc1c2 643577071 CVIBNZJRLUMVAC-UHFFFAOYSA-N 392.499 3.710 0 40 GHAB CC(C)(C)c1ccc(NC(=O)NCC2(N3CCSCC3)CCOCC2)cc1 1888869501 IKUWELNCDXLOHE-UHFFFAOYSA-N 391.581 3.704 0 40 GHAB Cc1nn(CN2CCN(Cc3ccsc3)CC2)c(=S)n1Cc1ccccc1 22778032 ZQMNEFQWMMCSLR-UHFFFAOYSA-N 399.589 3.608 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 24775664 MSOPSFFBCGEBKU-UHFFFAOYSA-N 394.805 3.540 0 40 GHAB O=C(CCC1CCCC1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037841189 ZMVHGVQZJYCDKW-UHFFFAOYSA-N 388.483 3.521 0 40 GHAB Cc1ccsc1CN1CC[C@]2(CC[C@@H](C(=O)Nc3cccnc3)O2)[C@@H](C)C1 1204020418 DXJMKKJEDWIYLB-DJPFJPOOSA-N 385.533 3.850 0 40 GHAB COc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3c(Cl)cccc23)cc1C 644603 IBZNXGYXAZSUQM-UHFFFAOYSA-N 392.908 3.968 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2ccc3nncn3n2)cc1 5168677 OJESAGMLRLYDDH-UHFFFAOYSA-N 379.807 3.706 0 40 GHAB Cc1nc2sccn2c(=O)c1NC(=O)C(c1ccccc1)c1ccccc1 8931628 JETLPLDMNVQOFX-UHFFFAOYSA-N 375.453 3.835 0 40 GHAB CCOc1ccc(-c2noc(Cn3nc(-c4ccccc4F)ccc3=O)n2)cc1 23126824 HEBRVUBREHLNQK-UHFFFAOYSA-N 392.390 3.546 0 40 GHAB CCOc1ccc(-c2noc(CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 49422366 WHZJENPIQTUAET-UHFFFAOYSA-N 385.807 3.714 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1ccc(-c2ccoc2)nc1 575414764 PEWBKASVHHKNBB-UHFFFAOYSA-N 376.391 3.811 0 40 GHAB CCc1ccc(S(=O)(=O)NCc2ccc([C@@H](O)c3ccco3)s2)s1 206685588 XHRGDAHECNBUHC-INIZCTEOSA-N 383.516 3.525 0 40 GHAB Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)cc1S(N)(=O)=O 40079595 MLSNCBBYEIKENY-UHFFFAOYSA-N 390.461 3.762 0 40 GHAB CCCOc1cccc(-c2nc3c4c5c(sc4ncn3n2)CN(C)CC5)c1 20566256 MBYUGKLLSRZXJQ-UHFFFAOYSA-N 379.489 3.783 0 40 GHAB O=C(CC1(C(=O)O)CCCCC1)Nc1ccc(N2CCCC2=O)c(Cl)c1 32771990 FVLPZJOVQWWCOD-UHFFFAOYSA-N 378.856 3.831 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 32779644 XCNBBYBJQQNIQP-IAGOWNOFSA-N 388.533 3.814 0 40 GHAB O=C(N[C@@H](c1ccccc1)c1cccs1)[C@@H]1CCCN(c2cnccn2)C1 29860282 WOTBPVFLSKXAPZ-XLIONFOSSA-N 378.501 3.660 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NCCC3=CCCCC3)cc2)n1 2661769 OCQFYGCORXUCQS-UHFFFAOYSA-N 381.476 3.653 0 40 GHAB O=C1OCC[C@@H]1Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 2620396 PAYQOFFFTOJUDO-INIZCTEOSA-N 386.860 3.506 0 40 GHAB Cc1ccc2nc(-c3ccc(NC(=S)N[C@H]4CCOC4=O)cc3)sc2c1 2655438 NFFXZRSOEOJZOE-HNNXBMFYSA-N 383.498 3.874 0 40 GHAB CCOc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1 821250 IIFWNLOVQHZXLA-UHFFFAOYSA-N 398.484 3.643 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)CSc1nncc(-c2ccccc2)n1 2699503 TWPJECQEOQMNQJ-MRXNPFEDSA-N 378.501 3.768 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2c(C)c3ccccc3oc2=O)N2CCCC2)o1 79021782 LFNOKDIILIWTNE-QGZVFWFLSA-N 380.444 3.570 0 40 GHAB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccsc2)CC1 79095696 ZHFCIGRHJBYJFE-AWEZNQCLSA-N 376.501 3.912 0 40 GHAB NC1=N[C@H](c2c[nH]c3ccc(Br)cc23)n2c(nc3ccccc32)N1 4864147 PFVBGJZBJBSCLH-HNNXBMFYSA-N 381.237 3.567 0 40 GHAB CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(F)cc3)c2)CC1 6680656 WZWHCVNWBMDZIK-UHFFFAOYSA-N 382.482 3.560 0 40 GHAB CC(C)C[C@H](NC(=O)CSc1nnc(C(F)(F)F)n1C)c1ccccc1 7442731 OPKYPLTZGSDAGX-ZDUSSCGKSA-N 386.443 3.830 0 40 GHAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1sc(C(C)C)cc1C(N)=O)[C@@H]2C(=O)O 102625258 CMENHWNZDUNOFG-DPDCMNJDSA-N 390.505 3.602 0 40 GHAB O=C(O)[C@@H](c1c[nH]c2cc(Cl)ccc12)N1CCN(c2ccc(F)cc2)CC1 12321606 OSUKMUUULYYHGB-LJQANCHMSA-N 387.842 3.908 0 40 GHAB COc1ccc(CN2CCCN(Cc3nc(-c4cccs4)no3)CC2)cc1 22929820 XEOWZBCDQQQQDX-UHFFFAOYSA-N 384.505 3.515 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 23973666 IIQDNWOLEANRKK-IBGZPJMESA-N 392.421 3.817 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)c1ccccc1C(=O)N1CCc2ccccc2C1 24260762 LHVSOJWQMYNLQM-UHFFFAOYSA-N 399.446 3.887 0 40 GHAB C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccccn2)CC1 100152742 XCHJHTDYPXUMNH-FJIDUMEYSA-N 393.535 3.651 0 40 GHAB CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2cc(C)on2)cc1 24761643 JNSAFHMKFSMMDD-UHFFFAOYSA-N 383.452 3.703 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N(C)Cc1ccc(C)cc1C 24813765 LEOJOTRDHXDDFS-INIZCTEOSA-N 383.492 3.729 0 40 GHAB C[C@H](S[C@@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1)C(=O)NC1CC1 56229998 RTASUKSPDOELNG-UWVGGRQHSA-N 389.502 3.706 0 40 GHAB O=C(CSc1ncnc2sccc12)OCc1noc(-c2ccsc2)n1 25604612 KDMKHKIZJISKIT-UHFFFAOYSA-N 390.471 3.638 0 40 GHAB COc1cccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)cc2=O)c1 57526677 VVGXBSAAXOTBRJ-UHFFFAOYSA-N 383.835 3.519 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 35476063 HECQLPJGCVDRRX-OAHLLOKOSA-N 381.863 3.851 0 40 GHAB CSCC[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O 2064720 NSIMDSSSNDNUME-INIZCTEOSA-N 388.876 3.696 0 40 GHAB Cc1ccsc1CN(C)C(=O)CCc1nc2sc(C)c(C)c2c(=O)[nH]1 58175015 PHLPNDFZUIVGJG-UHFFFAOYSA-N 375.519 3.563 0 40 GHAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCSc2ccccc21 10224701 OWOAEUVCCPPQLB-VQTJNVASSA-N 393.512 3.568 0 40 GHAB Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@H](C(=O)O)C(C)C)c(C)c3cc2c1C 2107396 XZRQZLKAVGFLQP-SFHVURJKSA-N 399.443 3.541 0 40 GHAB biogenic O=C(Nc1ccnc(Sc2ccccn2)c1)[C@@H]1CC(c2cccc(F)c2)=NO1 58433682 CGZTWWXEDSXQQM-KRWDZBQOSA-N 394.431 3.899 0 40 GHAB COCc1c(C(=O)Nc2ccc(N3CCC(O)CC3)cc2)oc2ccccc12 83914587 TXEKDNUOWNKHJY-UHFFFAOYSA-N 380.444 3.793 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(Cn2nc(C3CC3)n(C3CC3)c2=S)C1 28816939 VUWNXPVVUSKBTR-INIZCTEOSA-N 397.548 3.935 0 40 GHAB C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)C[C@@H](C)O1 12757029 NVMMXSILJFMFLT-VXGBXAGGSA-N 397.447 3.606 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2cc3sc(N(CC)CC)nc3s2)CC1 48363580 LKXDKTRFJQYGDH-UHFFFAOYSA-N 395.550 3.619 0 40 GHAB O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccc(=O)[nH]c1 12825490 SSFZTZLRUYKOPT-UHFFFAOYSA-N 379.363 3.693 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CS[C@@]2(c3cccs3)CCC(=O)N12 3442299 FUVOXYWXDFPRBY-KBXCAEBGSA-N 392.933 3.609 0 40 GHAB CCOc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1OCC 13008355 QICMRHRGTFWIIU-UHFFFAOYSA-N 382.460 3.763 0 40 GHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O 408917339 RJYYBTQIAZOLEV-RIYZIHGNSA-N 383.853 3.727 0 40 GHAB O=C(c1ccc(CS(=O)(=O)N2CCCCC2)cc1)N1CCCc2ccccc21 20460603 DZKYYYNTAPIBAS-UHFFFAOYSA-N 398.528 3.595 0 40 GHAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2oc3ccccc3c2COC)cc1 5199653 DZXZKQJWOLFIRI-UHFFFAOYSA-N 395.411 3.967 0 40 GHAB O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1)c1ccccc1Cl 13944255 GLEPLCJURDDUFN-GFCCVEGCSA-N 398.875 3.964 0 40 GHAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)NCc1ccco1 5333044 OUOWYQFWKJYKJR-LBPRGKRZSA-N 386.452 3.809 0 40 GHAB CCCn1nc(NS(=O)(=O)c2ccc(OC)cc2)c2cc3ccccc3nc21 9088457 CCRCLUVMKOOWPO-UHFFFAOYSA-N 396.472 3.804 0 40 GHAB COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1ccc(F)c(F)c1)CC2 5450919 QWTDTDLYVIFALD-GFCCVEGCSA-N 376.403 3.540 0 40 GHAB O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(=O)NC1CCCC1 6551953 QCDSXRRCHFTYRN-UHFFFAOYSA-N 398.303 3.871 0 40 GHAB CCOc1ccccc1OCC(=O)N[C@H](CCSC)c1nc2ccccc2[nH]1 6504316 IPGXRNNFNUYPRV-QGZVFWFLSA-N 399.516 3.951 0 40 GHAB Cc1ccc(NC(=O)COC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c(Cl)c1 66058524 ULSGDDQUKXSADH-OAHLLOKOSA-N 396.871 3.530 0 40 GHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1c(O)cc(F)cc1F 66043268 YOEQCELENMJPLK-UHFFFAOYSA-N 384.386 3.908 0 40 GHAB COc1ccc(OCC(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1 4676976 RQLVFTKRPLQRCS-UHFFFAOYSA-N 385.272 3.894 0 40 GHAB Cc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)cc1C 9237899 GVDNXBGSOJQSSI-ROUUACIJSA-N 379.489 3.601 0 40 GHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc(-n2cccc2)c1 14939880 PDGVKFIEAMXUDL-UHFFFAOYSA-N 387.361 3.605 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccccc1C)S2 6812084 ISCBEURCXZPEKT-QZTJIDSGSA-N 397.479 3.686 0 40 GHAB CC1CCN(Cc2csc(NC(=O)COc3ccc4c(c3)CCC4)n2)CC1 6881862 PJMWUBCKMMNHCX-UHFFFAOYSA-N 385.533 3.881 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)CS[C@H](C)c3nc4ccccc4[nH]3)cc2NC1=O 7118900 GGBVVLVHBUUVBO-NWDGAFQWSA-N 396.472 3.715 0 40 GHAB COc1ccc(N2C[C@H](c3nc(-c4ccc(C)cc4)no3)CC2=O)cc1OC 9318201 IGSQWRPAGKDDPQ-OAHLLOKOSA-N 379.416 3.583 0 40 GHAB Cc1cc(Cl)ccc1OCCCC(=O)NCCc1ccc2c(c1)OCCO2 7842310 KSSIWUSBBHEASR-UHFFFAOYSA-N 389.879 3.938 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860696 XFRNYHUGGAPXDM-INIZCTEOSA-N 392.908 3.521 0 40 GHAB CCN(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccc(Cl)s1 9516729 SFXNKPSRCGQTQQ-UHFFFAOYSA-N 397.953 3.511 0 40 GHAB CC(C)[C@@H]1C[C@@H](NC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)CCO1 95459328 QVYHYRIHPQTAAC-JENIJYKNSA-N 386.517 3.539 0 40 GHAB C[C@H](CC(=O)OCC[C@@H]1CCN(Cc2ccccc2)C1)NC(=O)C1CCCC1 95467970 YODSAMQVNOGPEJ-QUCCMNQESA-N 386.536 3.527 0 40 GHAB Cc1cc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c2ccccc2n1 95469721 QBLUMAMKPLECGT-UHFFFAOYSA-N 376.412 3.916 0 40 GHAB CC(C)COC(=O)N1CCCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 95948972 YHNVYZXEVLXFAU-UHFFFAOYSA-N 396.413 3.953 0 40 GHAB Cc1ccc(NC(=O)COc2cccc(/C=C3/SC(=O)NC3=O)c2)cc1C 409377610 IRRPQDRYJKXIRY-LICLKQGHSA-N 382.441 3.645 0 40 GHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2CN(Cc3ccncc3)C[C@@H]21 306133152 MDPNJICQZZZHTG-QUCCMNQESA-N 382.510 3.565 0 40 GHAB CCN(CCCNC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2)c1ccccc1 29955342 HIOCJUPLPYIGHZ-ZHACJKMWSA-N 396.487 3.512 0 40 GHAB CC(C)(c1ccc(NC(=O)N2CCOC[C@H]2[C@@H]2CCCO2)cc1)C(F)(F)F 554507112 RCBSQXOVLRRVTR-HOTGVXAUSA-N 386.414 3.938 0 40 GHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1 409383929 PNBUAHAFURMYDO-UHFFFAOYSA-N 397.456 3.568 0 40 GHAB O=C(OCc1cc2ccccc2nc1Cl)[C@H]1CCCCN1c1ncccn1 31274843 CKFXDCHFNCNXIJ-QGZVFWFLSA-N 382.851 3.781 0 40 GHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(O)cc3)[C@](O)(C(F)(F)F)[C@H]2C1 409095091 HDSSESSODVCZIL-UVBSCNOISA-N 384.398 3.917 0 40 GHAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2ncccc2Cl)C1)C1CCCC1 528442611 ZODMULAJUFQXOF-OAHLLOKOSA-N 387.915 3.966 0 40 GHAB O=C(Nc1csnc1-c1cccc(C(F)(F)F)c1)[C@@H]1OC[C@H]2COCC[C@@H]21 567466205 WCACCMOOPWBAGP-PVXIVEMSSA-N 398.406 3.819 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COc2c(C(=O)O)ccc3ccccc23)cc1 217717202 CAQVUEHUPFUQPQ-UHFFFAOYSA-N 393.395 3.732 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)ccc3C)n2)c1 219077127 PJHHBFVBPRHWBM-MRXNPFEDSA-N 395.459 3.788 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 223984688 CAFGFDAJBCJGHB-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 222534335 LPZMSEZOLIMSDT-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1COc1ccccc1C 224378184 MWROUCBPMHEZPY-UHFFFAOYSA-N 382.504 3.750 0 40 GHAB C[C@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1cccc(O)c1 82099345 PRESYNMKWMHJLB-KRWDZBQOSA-N 386.451 3.937 0 40 GHAB COc1ccc(S(=O)(=O)N2CCc3cc(-c4ccncc4)ccc32)cc1OC 225640185 QBHKCJWWOQRPEL-UHFFFAOYSA-N 396.468 3.517 0 40 GHAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2o1 223326044 QSYKMUCVHOSNNZ-UHFFFAOYSA-N 393.635 3.882 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(Cl)c2C)cc1 9217105 GHDOZNBBVIZQKS-SFHVURJKSA-N 392.908 3.749 0 40 GHAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H]3OC(C)(C)OC[C@]32C)[C@]12CC[C@@](CO)(CCO)O2 248340915 VKCTYACKTCTDRG-BDBYGRRGSA-N 396.568 3.653 0 40 GHAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C[C@@H](C)c3ccccc3)ncc2C1 247921834 HJSUJDQVXKNDCS-VGSWGCGISA-N 378.520 3.712 0 40 GHAB O=C(COc1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257303000 SFJHAEJRJXVPRU-HXUWFJFHSA-N 395.434 3.932 0 40 GHAB CC1(C)[C@H](NC(=O)CCO)[C@@]23CCO[C@H](c4ccccc4Cl)[C@H]2C[C@@H]1C3 257291424 QGWYMADHWFJURJ-HSZHVBGHSA-N 377.912 3.721 0 40 GHAB CC(=O)N1CCCCC[C@@H]2N(C(=O)c3cnccn3)[C@H](c3ccccc3)C[C@@]21C 257322372 WFSLPLIKWXOBLF-FUDKSRODSA-N 392.503 3.614 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)O)C1 257197980 OYXNLVINNFCCPS-NRFANRHFSA-N 386.448 3.986 0 40 GHAB CC1(C)[C@@H](NC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)[C@@H]1c1ccccc1 626578641 SQHQUZWQIWQCLV-IRXDYDNUSA-N 376.453 3.543 0 40 GHAB CC[C@@H](NC(=O)Nc1ccnn1[C@H](C)CC(C)C)C(=O)NCc1cccs1 646354826 RAADSDQMIDTBDH-GDBMZVCRSA-N 391.541 3.768 0 40 GHAB Cc1noc(C)c1CCC(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 49524284 VADNAJMIZFAQIZ-QGZVFWFLSA-N 397.475 3.640 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1 6441555 BQIXZQOOPYKCJR-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1N1CCCCS1(=O)=O 5439582 KNUDXTVMXHLYJR-UHFFFAOYSA-N 396.871 3.970 0 40 GHAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)COc2ccc(CC)cc2)c1 5859073 LUWKVNNIDOPCSF-UHFFFAOYSA-N 399.516 3.880 0 40 GHAB Cc1nc(-c2ccc(NC(=O)CCn3c(=O)n(C)c4ccccc43)cc2)cs1 14800448 SEYCJMPTZVKITC-UHFFFAOYSA-N 392.484 3.801 0 40 GHAB Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 19290050 VWFMKSCSTMPQBL-FQEVSTJZSA-N 378.451 3.918 0 40 GHAB CC(C)Oc1cccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 19450877 HPEBKWHNULPIBN-JOCHJYFZSA-N 380.536 3.979 0 40 GHAB O=S(=O)(c1ccc(F)cc1)n1c(CCc2ccccn2)nc2ccccc21 3850494 HUHCBENOBNQVDZ-UHFFFAOYSA-N 381.432 3.593 0 40 GHAB biogenic CCOc1ccc(CN2CCC(c3nn(C)c4ncccc34)CC2)cc1OC 12275904 VCVBWYCJSINSSW-UHFFFAOYSA-N 380.492 3.755 0 40 GHAB Cc1nc(N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)c2cnn(C)c2n1 1888921818 RCWIFGMSIZIWJW-UHFFFAOYSA-N 393.882 3.652 0 40 GHAB COc1ccccc1C(=O)N1CCC[C@@H](N(C)c2ncccc2C(F)(F)F)C1 1889186930 JQHKMENVVYQIAN-CQSZACIVSA-N 393.409 3.850 0 40 GHAB Cc1ccc(OCC2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)nn1 1775996250 IXQTZQHPEBRKRQ-UHFFFAOYSA-N 393.409 3.664 0 40 GHAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cccnc1O[C@@H]1CCOC1 244983731 IOZSVMFFVVHBDU-LLVKDONJSA-N 375.837 3.765 0 40 GHAB O=C(Cc1csc(-c2ccccc2F)n1)N1CCN(c2ccc(F)cc2)CC1 11865431 APXLYXCGRRYHRS-UHFFFAOYSA-N 399.466 3.980 0 40 GHAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)NN(c3ccccc3)C(=O)[C@H]12 706747 MZDCFULDBJGKEQ-LQDNNDEMSA-N 380.447 3.762 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)cc1 2723631 RXUSJYVWJDZFPF-UHFFFAOYSA-N 399.447 3.919 0 40 GHAB COc1ccc(CN2CCC[C@H](COc3ncc(Br)cn3)C2)cc1 1775976000 SSSXVQBFGCBLQJ-HNNXBMFYSA-N 392.297 3.539 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 49371894 ZEQTWCKYPHYLQZ-KRWDZBQOSA-N 398.470 3.875 0 40 GHAB Cc1ccc2oc(C(=O)N3CCc4nc(C5CCNCC5)ncc4C3)c(C)c2c1 19220431 FSEFAWSHDPGJDX-UHFFFAOYSA-N 390.487 3.505 0 40 GHAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1cccc(Oc2ncccn2)c1 40145696 YDQMUVGDIKDIKR-KRWDZBQOSA-N 380.452 3.702 0 40 GHAB Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 32407379 VIIHXWAQAKXJHT-GOSISDBHSA-N 376.460 3.828 0 40 GHAB CCOC(=O)[C@@H](NC(=O)[C@@H]1CC=CCC1)c1c(C)nn(-c2ccc(F)cc2)c1C 32753614 GRQFTIOWKYJWOH-UZLBHIALSA-N 399.466 3.705 0 40 GHAB O=C(c1ccccc1)[C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 32828851 BQNPYKWJKGJBSV-HKUYNNGSSA-N 380.473 3.568 0 40 GHAB CCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O 879803 TUJGGPAHEPFDTA-UHFFFAOYSA-N 399.491 3.572 0 40 GHAB O=C(c1ccn(COc2c(F)c(F)cc(F)c2F)n1)N1CCc2ccccc21 2786386 OPGXKDIOJIZBCC-UHFFFAOYSA-N 391.324 3.679 0 40 GHAB CCNC(=S)N(Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O 916754 HUTOYFAWNYFUSD-UHFFFAOYSA-N 379.529 3.987 0 40 GHAB COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4cccc(OC)c4)C3)n2)cc1 1362863 YVAVNLOWFPEDRM-QGZVFWFLSA-N 393.443 3.774 0 40 GHAB COc1cc(OC)c([C@H]2C[C@@](C)(OC)Oc3cc4c(cc32)OCO4)c(OC)c1 1611568 HWYLZHKWPDVNBJ-QKKBWIMNSA-N 388.416 3.718 0 40 GHAB CCOC(=O)COc1ccc([C@H](C)NC(=O)CCc2ccc(C)cc2)cc1OC 32921920 FXXNJXPAYXKRRK-KRWDZBQOSA-N 399.487 3.756 0 40 GHAB CSc1ccc(NC(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)cc1F 79058782 SRMOPUOCHOXUAB-HIFRSBDPSA-N 396.509 3.966 0 40 GHAB CCOc1ccc(-c2nc(CC(=O)Nc3ccsc3C(N)=O)cs2)cc1 79110642 DRRUJBVYVZQWCM-UHFFFAOYSA-N 387.486 3.550 0 40 GHAB COc1cc(CNC(=O)CCCc2cccs2)ccc1OC[C@H]1CCCO1 32930374 LATYQFJUUZPPFY-QGZVFWFLSA-N 389.517 3.954 0 40 GHAB CC(C)[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F 3536560 PGFHYIZPKQWMEC-CQSZACIVSA-N 399.491 3.778 0 40 GHAB Cn1c(=O)n(C2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccccc21 6072368 SJRJDHOLKUXKIB-UHFFFAOYSA-N 395.478 3.779 0 40 GHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3 108882209 RQYHGRKSCNFSKA-QEEYODRMSA-N 383.488 3.948 0 40 GHAB O=C(CSc1nc2sccc2c(=O)[nH]1)Nc1ccccc1C(F)(F)F 8456549 SNBCCDKMBDFIQX-UHFFFAOYSA-N 385.392 3.734 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(C)cc2)n1 8476268 ZKJZZUADUWLPKF-UHFFFAOYSA-N 384.867 3.662 0 40 GHAB COc1ccc(-c2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC 22609152 CCHVWVLASBHYJT-UHFFFAOYSA-N 391.537 3.676 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)Cc2ccc(Cl)s2)c1 23643895 RYEFYLIPGVCRCD-UHFFFAOYSA-N 379.869 3.591 0 40 GHAB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 12508548 UTNMWXVOZXYBTC-UHFFFAOYSA-N 396.468 3.916 0 40 GHAB O=C(Nc1cccnc1-n1cccn1)c1cccc(NC(=O)c2cccs2)c1 25010417 XEHJXGAXRYAEHO-UHFFFAOYSA-N 389.440 3.833 0 40 GHAB O=C(NCC1(c2ccccc2)CCCCC1)c1ccc(N2C(=O)CCC2=O)cc1 25250531 ZYJBAOAJDNNYLH-UHFFFAOYSA-N 390.483 3.972 0 40 GHAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 25329567 PCTIICWYRUFAQF-GFCCVEGCSA-N 381.881 3.585 0 40 GHAB Cc1cc(=O)c(C(=O)OCc2coc(-c3cccs3)n2)nn1-c1ccccc1 25852071 ZCBXOKQXMGYRDV-UHFFFAOYSA-N 393.424 3.614 0 40 GHAB COc1cc(CN(C)C(=O)Nc2ccc(OC)c(OC(F)F)c2)ccc1O 43995235 IZWRDVOYWLFGJA-UHFFFAOYSA-N 382.363 3.675 0 40 GHAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1cc(Cl)cc(Cl)c1 12658949 TUOPITPHKLYTDD-UHFFFAOYSA-N 378.215 3.525 0 40 GHAB CCN(CC)Cc1ccccc1CNC(=O)Cc1cnn(-c2ccccc2)c1 58050712 PRNIOBWCBITSJD-UHFFFAOYSA-N 376.504 3.573 0 40 GHAB CCc1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1 102549182 HNJBLFWFGQOJOJ-LRGYGIHKSA-N 387.435 3.780 0 40 GHAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(Oc3ncccn3)cc2)CC1 48281500 UMXKKLMLVGYAOD-UHFFFAOYSA-N 398.463 3.855 0 40 GHAB CCCN(C(=O)c1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2ccccc2)C1 58209370 MLYXZDQYTGPOSY-FQEVSTJZSA-N 380.488 3.932 0 40 GHAB O=C(Nc1cccc(NC(=O)c2cccnc2OCC(F)(F)F)c1)NC1CC1 24784711 XVSYPBOLKHQWPQ-UHFFFAOYSA-N 394.353 3.559 0 40 GHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccc(Cl)cc1Cl 10368686 SPJDUPJZPJAACC-UHFFFAOYSA-N 387.288 3.603 0 40 GHAB CCc1ccc(C2=NN(C(=O)COc3ccccc3)[C@](O)(C(F)(F)F)C2)cc1 20035454 KILYXEZTWYPKIW-LJQANCHMSA-N 392.377 3.515 0 40 GHAB Cc1sc2nc(SCC(=O)Nc3ccc(F)c(F)c3)n(C)c(=O)c2c1C 2322997 WXTSZRWBVQTMTG-UHFFFAOYSA-N 395.456 3.621 0 40 GHAB O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCc2sccc2C1 10924662 CIBZYCDFOYFUQO-OAHLLOKOSA-N 378.906 3.789 0 40 GHAB C[C@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)NCc2ccccc2Cl)N=C1O 36594891 FYRBWWSUTJMOOW-RDTXWAMCSA-N 399.878 3.622 0 40 GHAB Cc1nc(CSCC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)no1 45642147 PDGITSZZZQCXMJ-CQSZACIVSA-N 388.518 3.975 0 40 GHAB CCSc1nnc(NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)s1 11429520 OQGWYWNAGNZFQX-LBPRGKRZSA-N 384.914 3.510 0 40 GHAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(N2CCCC2)cc1 11753276 NBCSOBVAGHWBJZ-RNXZQOMOSA-N 395.547 3.946 0 40 GHAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)N(C)c3ccccc3)c2c1=O 48989453 RMVCSHZQSIRHHW-UHFFFAOYSA-N 386.455 3.548 0 40 GHAB Cc1ccc(-n2nc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3ccccc32)cc1 13363134 KLCXSVRBPHGPJG-UHFFFAOYSA-N 390.464 3.835 0 40 GHAB Cc1ccc(C)n1CCN1CCN(C(=S)Nc2ccccc2Cl)CC1 13693374 BKXHTLDWYNTWOR-UHFFFAOYSA-N 376.957 3.773 0 40 GHAB Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCc3ccccc3Cl)cc1)CC(=O)N2 8995855 VHFMRHHAMUSNOR-INIZCTEOSA-N 395.846 3.785 0 40 GHAB CCc1ccc(-c2nc(CS(=O)(=O)Cc3noc(C4CC4)n3)cs2)cc1 65647861 ZZHCOEIHYFKYDS-UHFFFAOYSA-N 389.502 3.748 0 40 GHAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118930545 JKXQEBJVZBCFGF-IDNPWANFSA-N 390.520 3.929 0 40 GHAB Cc1cc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3)c3c(C)noc3n2)c(C)o1 14215352 XPGGREYVTZFFKO-UHFFFAOYSA-N 390.399 3.759 0 40 GHAB O=C(COC(=O)c1ccc(-n2cccc2)cc1)NC1C2CC3CC(C2)CC1C3 6589318 ZRUSLDYSAVGTEN-UHFFFAOYSA-N 378.472 3.575 0 40 GHAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cnc(-c2ccccc2)nc1 66941577 KECMUWZJNIAFKT-QGZVFWFLSA-N 387.361 3.626 0 40 GHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(C)cc2)cc1 9584279 QAOXNQQXYZHXPM-IBGZPJMESA-N 375.432 3.523 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1 7055312 PJRKJLZDSYWGMQ-INIZCTEOSA-N 375.266 3.842 0 40 GHAB CCCn1nnnc1CSc1nnc(Cc2cccs2)n1-c1ccccc1 7121132 OGCAXNKIYLFPDK-UHFFFAOYSA-N 397.533 3.608 0 40 GHAB CCn1c(SCC(=O)NCCc2c[nH]c3ccccc23)nc2ccccc21 7153972 ZIEIZANUTNAODE-UHFFFAOYSA-N 378.501 3.989 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7268767 QYGRRUGJUPHIRG-XLIONFOSSA-N 386.451 3.833 0 40 GHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cnc(Cl)c(Cl)c1 7402436 NCJOQJKMMINUGD-UHFFFAOYSA-N 396.274 3.888 0 40 GHAB COc1ccc(CC(=O)N[C@H](C)c2ccc(Br)cc2)cc1OC 7645581 XBEZWLUGHWIXDZ-GFCCVEGCSA-N 378.266 3.886 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CCCSc3ccccc32)c(C)c1 7987290 MWNWRLLHZRATNY-UHFFFAOYSA-N 397.544 3.669 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)c1 8058863 SEOSUEPSBAEBFI-LJQANCHMSA-N 375.490 3.846 0 40 GHAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)NCCc1ccccc1 8177061 UYCHAVBHRUANGU-ZDUSSCGKSA-N 388.518 3.583 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(NC(=O)c2ccco2)cc1 8341084 DWQBRLBZBYNZCG-SFHVURJKSA-N 393.443 3.692 0 40 GHAB c1ccc(-c2cc3c(Sc4nnnn4C[C@@H]4CCCO4)ncnc3s2)cc1 8325651 FRYSHAQBQCEMIJ-ZDUSSCGKSA-N 396.501 3.675 0 40 GHAB CCN1C[C@H](CN(C)Cc2nc3cc(F)ccc3n2CC)Oc2ccccc21 69876716 CVYBKVIOMGWDKG-KRWDZBQOSA-N 382.483 3.915 0 40 GHAB Cc1oc(-c2cccs2)nc1C(=O)N1c2ccccc2[C@H](C(N)=O)C[C@@H]1C 84052898 XDJHCRUJFLIELE-SMDDNHRTSA-N 381.457 3.719 0 40 GHAB COC(=O)C[C@H](NC(=O)c1csc(-c2ccc(C)o2)n1)c1ccc(F)cc1 84195528 LCZCYKQLQZORBW-AWEZNQCLSA-N 388.420 3.885 0 40 GHAB Cn1cc(NC(=O)C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)cn1 84318642 QZEMZMMOZDJIGX-UHFFFAOYSA-N 389.242 3.971 0 40 GHAB Cc1nccn1CCCSc1nnc(CN2CCCC2)n1-c1ccccc1 89735710 NGMVJURSRZEGEZ-UHFFFAOYSA-N 382.537 3.550 0 40 GHAB O=C(Nc1cccc2c1CCCN2C(=O)C1CCOCC1)c1ccc(F)cc1 89774293 AFPHYIMJQGYFEO-UHFFFAOYSA-N 382.435 3.784 0 40 GHAB CC(C)Oc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408706898 DVRJOIGHXPESSV-INIZCTEOSA-N 386.879 3.797 0 40 GHAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 72354625 XOSKXNZIAOLHMG-GOSISDBHSA-N 380.398 3.981 0 40 GHAB Cc1cc(=O)c(OCC(=O)N[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)co1 524734928 JYDKDAXVOIYWKV-MRXNPFEDSA-N 386.835 3.656 0 40 GHAB CCCCNc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)O 217607592 TWXXLSAHSMXPCY-AWEZNQCLSA-N 376.478 3.636 0 40 GHAB CCCc1nnc(SCC(=O)N2c3ccccc3C[C@@H]2C)n1Cc1ccco1 35312402 AYBUNEDNTWYJCO-HNNXBMFYSA-N 396.516 3.942 0 40 GHAB C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(Br)c1 33657906 YKBPBYTUPQFDFG-QMMMGPOBSA-N 377.666 3.954 0 40 GHAB CS(=O)(=O)c1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 71760925 PUGXFLJHIQPHHD-UHFFFAOYSA-N 390.408 3.798 0 40 GHAB Cc1cccc(N2CCN(C(=O)CN(C)c3nc4c(F)cccc4s3)CC2)c1 70973682 IQBVDCVYJGOKMV-UHFFFAOYSA-N 398.507 3.529 0 40 GHAB COc1ccc(-c2csc(CNC(=O)c3ccc(OC)c(OC)c3)n2)cc1 72264951 CCEDTHNREDDGDO-UHFFFAOYSA-N 384.457 3.766 0 40 GHAB CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1csc(-c2cccs2)n1 32929875 RACFNMSGGTVRRB-CQSZACIVSA-N 398.575 3.578 0 40 GHAB O=C(NC[C@@H]1CCCN1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 562746619 JIQQUAKMRJXYAD-ZDUSSCGKSA-N 384.427 3.626 0 40 GHAB COc1cccc(OCCNC(=O)CSCc2ccc(Cl)cc2F)c1 225153734 CSBAZMHZRWBLOA-UHFFFAOYSA-N 383.872 3.916 0 40 GHAB Cc1cc(C)n2nc(CC(=O)Nc3nc(-c4cccc(Cl)c4)cs3)nc2n1 40134039 XEWNIBMNOSGCDI-UHFFFAOYSA-N 398.879 3.699 0 40 GHAB Cc1ccc(-c2noc(C3CCN(CC(=O)NCc4ccccc4)CC3)n2)cc1 49403574 HKHFZKWDWFDQFD-UHFFFAOYSA-N 390.487 3.541 0 40 GHAB CCCc1ccc(OCCNS(=O)(=O)c2c(C)cc(OC)cc2C)cc1 225196753 LDSPJRFPIAYJNS-UHFFFAOYSA-N 377.506 3.622 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 223680844 UOZQNRIIWHFQRN-LJQANCHMSA-N 382.504 3.544 0 40 GHAB CCc1cc(S(=O)(=O)Nc2nnc(SCC(C)C)s2)ccc1OC 224925210 DAAIEHZZDLKWJN-UHFFFAOYSA-N 387.552 3.658 0 40 GHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)n1C 224007483 UNQHABRSQDXYAK-VQTJNVASSA-N 392.484 3.634 0 40 GHAB Cc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c(C)c1 225698382 MXWWLMDZXWTEJZ-FQEVSTJZSA-N 396.531 3.667 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211825 BYKHROIVGPADDH-UHFFFAOYSA-N 391.500 3.511 0 40 GHAB CCCCCC(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3ccccc3n2C)C1 514288983 HQVOIFPHYSNPRR-IRXDYDNUSA-N 385.508 3.636 0 40 GHAB biogenic,in-vitro CC(C)c1ccc2c(c1)[C@]1(CCO2)C[C@H]1C(=O)NCCc1nc(C(C)C)no1 583619749 CLOXUBFIFJGABP-JTSKRJEESA-N 383.492 3.716 0 40 GHAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4ccccn4)C3)o2)cc1 257255511 KHTVAEZHLZHIEP-KRWDZBQOSA-N 377.444 3.689 0 40 GHAB COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc(C)cc2c[nH]nc12 588102047 FEWMHRUWEQROOW-SFHVURJKSA-N 379.460 3.701 0 40 GHAB Cc1cccc(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)c1Cl 1664379400 XXKWGHUYVXYIEQ-KRWDZBQOSA-N 375.877 3.814 0 40 GHAB O=C(CC1CCCCC1)N1CCc2ncc(-c3cnn(CC4CC4)c3)n2CC1 585111164 HHWYBCSTHDZURJ-UHFFFAOYSA-N 381.524 3.512 0 40 GHAB COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCc2ccc(F)cc21 58980186 QDBLAPMSYHJCQP-UHFFFAOYSA-N 397.233 3.920 0 40 GHAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/C(=O)O)c2C(=O)OC)C1 2086124 UFCUVRGIXPGMDF-ANYFNZRUSA-N 379.478 3.655 0 40 GHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 5598763 XKDSQWGLJVKDKY-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(OC(F)F)cc3)c2C(N)=O)C1 12937024 WXANOVGZBZETND-VIFPVBQESA-N 380.416 3.826 0 40 GHAB Cc1nc(C)n(CC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)n1 19285819 UKKIIMINUGKQDM-UHFFFAOYSA-N 396.303 3.888 0 40 GHAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccc(Cl)cc1Cl)C2 19340092 YBURYNQRQGECKN-UHFFFAOYSA-N 387.270 3.697 0 40 GHAB c1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 19371950 QEBKSIYOKFGCHM-IBGZPJMESA-N 388.519 3.847 0 40 GHAB COC(=O)/C=C/c1cc(Br)c(OCc2cccnc2)c(OC)c1 226337538 RQVMFWWRWJUADK-AATRIKPKSA-N 378.222 3.618 0 40 GHAB COCc1ccc(C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)cc1 12087835 KPINRFGSFNJZEY-UHFFFAOYSA-N 375.472 3.983 0 40 GHAB O=C(Cn1c(-c2ccc(F)cc2)cc2cccnc21)N1CCCC[C@H]1CCO 12669618 FCOFQQYOSMBGOK-IBGZPJMESA-N 381.451 3.606 0 40 GHAB Brc1ccc(-c2nnc(CSc3nnc(-c4ccc[nH]4)o3)o2)o1 18364833 HNQJKSBOIWMJTJ-UHFFFAOYSA-N 394.210 3.763 0 40 GHAB O=C(NC[C@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1cccc(F)c1 8893308 VRXUZOBOARPVID-GOSISDBHSA-N 389.496 3.559 0 40 GHAB CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCCCC3)c(O)n2n1 22853143 FDLSRYIFXYLPRK-OAHLLOKOSA-N 378.448 3.912 0 40 GHAB O=C(c1ccccc1)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1 22997680 BKDLTGUNQAGXKW-UHFFFAOYSA-N 399.491 3.805 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CN1CCN(c3ccc(F)cc3)CC1)C2 101214004 PCYLJSIICAVAJD-HWLQVEPHSA-N 390.543 3.540 0 40 GHAB O=C(Nc1ccccc1OC(F)F)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 32796442 SKWKDHPGJNFAPQ-NSHDSACASA-N 380.778 3.933 0 40 GHAB CCOc1ccc([C@@H]2C=C(c3ccc(C)cc3)Nc3nc(CCCO)nn32)cc1 100806465 GOMFXVMAKDXAGQ-NRFANRHFSA-N 390.487 3.966 0 40 GHAB CCNC(=O)COc1ccc(NC(=O)N(C)Cc2ccc(SC)cc2)cc1 40104831 KDWZBPZFRHKZLB-UHFFFAOYSA-N 387.505 3.587 0 40 GHAB CC(C)[C@H](C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)n1cncn1 40151309 LCQHWZKXNIZZTG-KIBJDZNYSA-N 386.499 3.889 0 40 GHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)CCc1ccc(O)cc1 40103800 LONRQOWQWBSYFH-GOSISDBHSA-N 396.535 3.595 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1F 40485072 SIMFEXGJXRUNGO-LJQANCHMSA-N 393.422 3.744 0 40 GHAB CC1(C)CCc2cc(Cc3nnc4sc(-c5ccncc5)nn34)ccc2O1 20739624 WJVZEADLVRZQIJ-UHFFFAOYSA-N 377.473 3.942 0 40 GHAB Cc1nc(CSCCC(=O)Nc2ccccc2N2CCCC2=O)cs1 32454518 XRHXOPNXGQAXJU-UHFFFAOYSA-N 375.519 3.840 0 40 GHAB Cc1ccccc1CN(C)S(=O)(=O)c1cc(Br)cnc1Cl 41066218 WCVURDBBWACLLY-UHFFFAOYSA-N 389.702 3.627 0 40 GHAB Cc1ccc(-c2nc(C)c(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)s2)o1 32721018 ORMGLYPQLMAHNJ-UHFFFAOYSA-N 394.456 3.529 0 40 GHAB CCc1c(C(=O)Nc2n[nH]c(-c3ccc(F)cc3)n2)cnn1-c1cccc(C)c1 32796014 ILWQEHQYZOXERE-UHFFFAOYSA-N 390.422 3.920 0 40 GHAB CCN(CC)C(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 2642372 BXRMPMUACRVJJZ-UHFFFAOYSA-N 392.455 3.936 0 40 GHAB COc1ccc2cc(C(=O)N(C)Cc3cccc(OC)c3OC)c(C)nc2c1 32845346 NDZDHXYGLDRYBE-UHFFFAOYSA-N 380.444 3.841 0 40 GHAB O=C(CSc1nnc(CNc2ccc(F)cc2)o1)N1CCCc2ccccc21 917715 MMZJXOOSGIDSPO-UHFFFAOYSA-N 398.463 3.892 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)N1CCSc2ccc(Cl)cc21 32801987 LYUXCGSNWQVKIG-UHFFFAOYSA-N 381.906 3.886 0 40 GHAB C[C@@H](Sc1ccccc1Br)C(=O)Nc1ccc(C(N)=O)cc1 21761767 NKZBVSIUKQTHFE-SNVBAGLBSA-N 379.279 3.667 0 40 GHAB CN(C)CCN(C(=O)c1ccco1)c1nc2ccc(Br)cc2s1 4359200 ZKOOJZYQOIAORV-UHFFFAOYSA-N 394.294 3.860 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)N2CCCCCC2)n1CC(C)C 4860828 FBGWOZNQAAMUHU-UHFFFAOYSA-N 376.526 3.997 0 40 GHAB COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccco3)C2)cc1 6590539 OLYCEKSMBYFVOR-IBGZPJMESA-N 382.441 3.828 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1 6841753 NQMAIOSHLVOEPF-UHFFFAOYSA-N 392.908 3.688 0 40 GHAB CC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 7077112 IZXRYYHXRRBNMH-DLBZAZTESA-N 388.533 3.573 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COc2ccc(C)cc2Br)cc1 671677 YLTXGUFQZNZQGI-UHFFFAOYSA-N 392.249 3.952 0 40 GHAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccnc(-n2cncn2)c1 53798543 IRFIOOJYLNAICQ-NSHDSACASA-N 376.247 3.802 0 40 GHAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1nc(-c2ccc3cc[nH]c3c2)no1 12390766 MVEQJDOQXRMMLD-UHFFFAOYSA-N 389.390 3.811 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 25164429 XSJRSHQIJJVCQS-UHFFFAOYSA-N 384.476 3.512 0 40 GHAB O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@@H]1CN(Cc2ccccc2)CCO1 24335971 MEPRMYQKQGSJHG-QGZVFWFLSA-N 393.314 3.553 0 40 GHAB Cc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(Cl)cc2)cc1 1389659 UDWSFTXQSIJEAB-UHFFFAOYSA-N 381.863 3.974 0 40 GHAB Cc1[nH]c(C(=O)Nc2cccc(Cn3ccnc3)c2)c(C)c1C(=O)OC(C)C 25174677 UIIYHKYPQQOXNH-UHFFFAOYSA-N 380.448 3.694 0 40 GHAB COc1ccc(-c2nc(CNc3cc(C(=O)NC4CC4)ccc3C)no2)cc1 72312457 RLYWFOFFGJMPLS-UHFFFAOYSA-N 378.432 3.558 0 40 GHAB O=c1[nH]c(CN(CCc2ccccc2)c2ccc(O)cc2)nc2ccsc12 72308365 XHHSOVWBVUEJKS-UHFFFAOYSA-N 377.469 3.940 0 40 GHAB COc1cc(Br)c(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1OC 108173835 QTVSEPITZHHBAR-UKRRQHHQSA-N 386.330 3.695 0 40 GHAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 20109043 FROIYUISQMXCCU-UHFFFAOYSA-N 399.497 3.857 0 40 GHAB O=C(COC(=O)CCc1nc2ccccc2s1)NCc1ccc(Cl)cc1 3279262 WGXUFNOOKUOPSK-UHFFFAOYSA-N 388.876 3.742 0 40 GHAB C[C@H](C(=O)c1c[nH]c2ccccc12)N(C)Cc1ccccc1N1CCOCC1 58170555 VQKBEXTYNYDFHJ-QGZVFWFLSA-N 377.488 3.708 0 40 GHAB Cn1c(=O)n(C)c2cc(C(=O)N3[C@H]4CC[C@H]3CC(c3ccc(F)cc3)C4)ccc21 100166620 AKPHJBPFRULFFL-OALUTQOASA-N 393.462 3.567 0 40 GHAB COc1ccc(COCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 48279207 PHEBULOZQNVPLG-UHFFFAOYSA-N 388.895 3.522 0 40 GHAB CCOc1ccc(Cc2nnc(S[C@@H](C)C(=O)O)n2-c2ccccc2)cc1 27517361 WJCUWUDHFVILPC-AWEZNQCLSA-N 383.473 3.822 0 40 GHAB NC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)s1 58327171 UIYJCHVFGBVCFG-LBPRGKRZSA-N 379.279 3.587 0 40 GHAB Cc1ccc(-c2nn(CCC(=O)N3CCCCC3)c(=O)c3ccccc23)cc1 2251198 LRCCTJBIIAKVTK-UHFFFAOYSA-N 375.472 3.775 0 40 GHAB Cc1cccc(-c2nc3s/c(=C\c4c(Cl)cccc4Cl)c(=O)n3n2)c1 2409467 CVGOEAMMKDSFNL-DHDCSXOGSA-N 388.279 3.981 0 40 GHAB CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1OC 12761373 VPGPZMVQDHYACF-QGZVFWFLSA-N 383.444 3.842 0 40 GHAB CC(=O)N[C@@H](C(=O)OCc1csc(Nc2ccc(C)cc2)n1)C1CCCC1 12837459 PHYUUPDXMGWLBJ-GOSISDBHSA-N 387.505 3.933 0 40 GHAB Cc1cccc2sc(NC(=O)CN3C(=O)COc4ccc(Cl)cc43)nc12 12868337 DXHOIQDGUCIYIQ-UHFFFAOYSA-N 387.848 3.622 0 40 GHAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1ccccc1Br 12993380 DFBJEFJJAGCHKV-CYBMUJFWSA-N 384.320 3.965 0 40 GHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 22511416 SWWSTBUJKCDVBT-WMZOPIPTSA-N 396.487 3.564 0 40 GHAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H]2CCCO2)cc1 61997254 SRGRIYOMQRROLB-QGZVFWFLSA-N 380.400 3.811 0 40 GHAB CSc1ccc(CN(C)C(=O)CNC(=O)c2ccc3ccccc3c2)cc1 17972416 GLEPPDHWUYELDS-UHFFFAOYSA-N 378.497 3.950 0 40 GHAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1csc(-c2ccccc2)n1 17984813 DDFMNYSNBGFDID-UHFFFAOYSA-N 379.441 3.700 0 40 GHAB CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)NC[C@H]1CCCO1 13426935 ZOUNMCZFYSIBQP-NPPSCJOGSA-N 392.455 3.973 0 40 GHAB C[C@H]1C(c2ccc(F)cc2)=[N+]([O-])[C@@](C)(c2ccc(Br)cc2)N1O 4146245 RSIWYZBLPTWFQO-GTNSWQLSSA-N 379.229 3.854 0 40 GHAB O=C(NCc1cccnc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 13691923 VBNZBPMUSNCNKE-UHFFFAOYSA-N 388.452 3.613 0 40 GHAB COc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)cc1OC 6075846 OKSRXWYFNFPBDN-UHFFFAOYSA-N 375.428 3.972 0 40 GHAB biogenic COc1ccc(OC)c(NC(=O)CN(C)Cc2ccccc2Br)c1 8776887 IEUWXHJKJGWJII-UHFFFAOYSA-N 393.281 3.537 0 40 GHAB O=C(c1ccc(Br)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8744921 PCLSMRNUWLVOMY-GFCCVEGCSA-N 378.222 3.791 0 40 GHAB O=C(COC(=O)CCC(=O)c1ccc(Cl)s1)Nc1ccc(Cl)cn1 4460392 UPIYJZVHIVQNQL-UHFFFAOYSA-N 387.244 3.595 0 40 GHAB CN1CCc2nc(NC(=O)COc3ccc(Cl)c4ccccc34)sc2C1 14197287 HUMNPPVRZURJQI-UHFFFAOYSA-N 387.892 3.955 0 40 GHAB CN(C)[C@@H](CNC(=O)/C=C/c1ccc(Br)cc1)c1ccsc1 25811465 QFPLWMIBJDERCC-WHWKNOJMSA-N 379.323 3.943 0 40 GHAB O=C(c1ccccc1Cl)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F 4598867 GCMIJFUZLPKWOQ-MRXNPFEDSA-N 386.732 3.980 0 40 GHAB CCOC(=O)C1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 5458110 SIQUKSAAAKDFPY-UHFFFAOYSA-N 388.291 3.954 0 40 GHAB Cc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)s1 5505875 YUKQJUFARXGPRF-UHFFFAOYSA-N 378.759 3.919 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3)[C@@H]2C(C)C)cc1 4741203 QYDYJVHQHZHUMS-IBGZPJMESA-N 387.505 3.516 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CCOc1ccc(F)cc1 15101456 URDNUKLMRUVREU-ZDUSSCGKSA-N 380.847 3.826 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(N4CCCC4=O)cc3)c2O1 6990951 SBLVKIRFAVHACT-UHFFFAOYSA-N 380.444 3.544 0 40 GHAB C[C@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 7015409 SXITVMBTICDMIL-ZDUSSCGKSA-N 375.827 3.931 0 40 GHAB CN(C)c1cccc(OCc2cc3ncc4c(n3n2)CCN(C2CCCC2)C4)c1 306124682 BWLRTMUZEZXJLP-UHFFFAOYSA-N 391.519 3.675 0 40 GHAB CCOc1ccc(OCCNC(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1 9530938 GIYVEEAZMWFKBF-UHFFFAOYSA-N 382.460 3.669 0 40 GHAB Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2nn(C)cc2Cl)cc1 28244784 OEAPKBDKWACTQG-UHFFFAOYSA-N 383.761 3.839 0 40 GHAB CN(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)Cc1ccsc1 7806534 VCMBNJKSAIEWFX-UHFFFAOYSA-N 393.512 3.749 0 40 GHAB CSc1ccc(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1 16259718 MZRZOITUIQOQKI-UHFFFAOYSA-N 385.464 3.906 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C 8024460 MESOKPJKDHMNAC-UHFFFAOYSA-N 393.409 3.815 0 40 GHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C1=NN(c2ccccc2)C(=O)CC1 8315304 PCHNZDBSZXBYBA-AWEZNQCLSA-N 392.484 3.999 0 40 GHAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)c1C 9591072 JOYPAYSOJRACHE-MRXNPFEDSA-N 385.847 3.736 0 40 GHAB CN(C)C(=O)N1CCN(c2nc(-c3ccccc3C(F)(F)F)cs2)CC1 83844132 VTOWOFBKYRWPMT-UHFFFAOYSA-N 384.427 3.633 0 40 GHAB O=C(O)C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc2ccccc2s1 96767459 PCMRYWUJAUHQNU-WZUFQYTHSA-N 384.369 3.949 0 40 GHAB Cc1nc(NC2=NCN(Cc3ccc(Cl)cc3)CN2)nc2c(C)cccc12 20634347 AWUNZLXMXZRIHA-UHFFFAOYSA-N 380.883 3.688 0 40 GHAB O=C(CSCc1cc(Cl)c2c(c1)OCO2)Nc1cccc2nsnc12 95469799 VOVXTAMQRVHPKT-UHFFFAOYSA-N 393.877 3.945 0 40 GHAB CCN1C[C@H](C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)CC1=O 95959118 DPEJBSOTWDSLKU-OAHLLOKOSA-N 375.428 3.834 0 40 GHAB Cc1cc(C)c(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c(=O)[nH]1 9932221 ZVQFGRARQPUQDM-UHFFFAOYSA-N 384.439 3.532 0 40 GHAB Cc1nnc2n1N[C@@H](c1ccc(O)cc1)[C@H](C(=O)c1ccc(Cl)cc1)S2 27525580 GYWVLUSIEKVPGP-DOTOQJQBSA-N 386.864 3.588 0 40 GHAB O=C(COc1cccc2c1CCC[C@H]2O)Nc1cccc(Br)c1 32691430 HIZKFRBTQNQCBA-MRXNPFEDSA-N 376.250 3.836 0 40 GHAB COC(=O)[C@@H](C)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123436347 KTYGJLFJXQXPCP-NFUMIRRBSA-N 376.537 3.850 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)cc(C)c3)n2)cc1 219553907 ZQNQVXHGNSTJBT-MRXNPFEDSA-N 395.459 3.788 0 40 GHAB O=C(CSc1ccccc1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 46613305 XVWOGDABJSGLHU-UHFFFAOYSA-N 395.450 3.978 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccccc1OC 219503529 MRUMJXLFQXCZSM-PBHICJAKSA-N 385.460 3.890 0 40 GHAB COc1cccc(C2=NN(C(=O)c3cccc(C)c3)[C@](O)(C(F)(F)F)C2)c1 32101322 MXDUGJTVRSSOFQ-GOSISDBHSA-N 378.350 3.505 0 40 GHAB O=C1C[C@@]2(CCN(C(=O)NC3CCC(C(F)F)CC3)C2)Oc2ccccc21 521404697 ALEHTKAKOWJLRM-RUZSNYSVSA-N 378.419 3.630 0 40 GHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@H]2C[C@H]2C)C1 72388986 RMHZSVVLFVSZEP-ICPLQIHGSA-N 396.556 3.968 0 40 GHAB CCCOc1ccccc1CCCNC(=O)c1ccc(CN2CCOCC2)cc1 44851635 ISIXHFJUSYOTHG-UHFFFAOYSA-N 396.531 3.670 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1N1CCCC1=O 44849871 WDRCKDKALXBJCN-UHFFFAOYSA-N 394.880 3.585 0 40 GHAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(I)cc2)c1 40946067 RRMBXOVADXQUFB-LLVKDONJSA-N 397.212 3.706 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655737 IZGKEQLQEPAAKC-UHFFFAOYSA-N 384.304 3.694 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 222588226 YDLFAOTZEQDXJH-INIZCTEOSA-N 388.508 3.780 0 40 GHAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C(=O)OC 225769157 GLISGTGHWROFNL-UHFFFAOYSA-N 383.444 3.559 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 223798570 PGXYZYFXLAFXKR-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB CCc1ccc(N([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 220274779 KYLPYYYAYUEBHJ-KRWDZBQOSA-N 388.533 3.967 0 40 GHAB COc1ccc(-c2nnc(NS(=O)(=O)Cc3ccc(Cl)cc3)s2)cc1 225005650 LBRPNUGPUUFYGT-UHFFFAOYSA-N 395.893 3.809 0 40 GHAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 222908141 WAXXJZNFYHJTKD-SFHVURJKSA-N 384.545 3.516 0 40 GHAB COc1ccc(CC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 225413790 IAPMNCLXHMIOJP-LNGMVNIQSA-N 380.532 3.659 0 40 GHAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c(C)c1 224968784 OIFBMJNWMZBFDS-UHFFFAOYSA-N 397.880 3.659 0 40 GHAB CN(c1cccc(C(=O)Nc2cccc(F)c2)c1)S(=O)(=O)c1ccccc1 224253239 MIRKVDUIDDATAF-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c(C)n1 225877935 NQTRMUJKFZMTNN-UHFFFAOYSA-N 384.476 3.874 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 223426470 IMSAFRSOUDKVAE-LJQANCHMSA-N 396.531 3.961 0 40 GHAB O=C(NCc1cccc2ccccc12)c1cnc2sc3c(n2c1=O)CCCC3 223040328 HRIGOXOKRFKUFP-UHFFFAOYSA-N 389.480 3.718 0 40 GHAB CC(C)c1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCOCC2)cc1 96117278 TZHXLELKXDXEKF-SFHVURJKSA-N 387.505 3.838 0 40 GHAB COc1ccc(Cc2nc3nccc(-c4ccc5c(c4)OCCCO5)n3n2)cc1 96345332 MIQKPWZQVKGBIU-UHFFFAOYSA-N 388.427 3.552 0 40 GHAB Cc1cccc(CS(=O)(=O)N2CC[C@@H](Oc3cccc4cccnc34)C2)c1 238813210 AUZCCYXHPDBAIC-LJQANCHMSA-N 382.485 3.526 0 40 GHAB CCOC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242543552 KFKQMMJQLBWYJP-XUVXKRRUSA-N 393.936 3.570 0 40 GHAB Cc1c(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4)CC[C@H]3C2)sc2ncnc(O)c12 257237456 HGNVHVZAUKENHJ-IMJJTQAJSA-N 395.484 3.635 0 40 GHAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N[C@H](C)c2ccccc2)cc1OC 253408423 XWNOAFBKQBGMGB-KGLIPLIRSA-N 396.443 3.903 0 40 GHAB biogenic,in-vitro CCN1C(=O)CC[C@@H](C(=O)NCCc2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 257245502 IPTQPPMYSUJLMY-GGAORHGYSA-N 394.515 3.662 0 40 GHAB COC[C@@H](CC(C)(C)C)NC(=O)N1CCC(c2ccc3cccnc3n2)CC1 656141383 UEVFIDBUPVMWSM-GOSISDBHSA-N 384.524 3.970 0 40 GHAB O=C(NCc1ccc(Br)s1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]21 663694837 YPNMNELBRMTYJA-NWANDNLSSA-N 381.270 3.787 0 40 GHAB NC(=O)c1cccc(C(=O)Nc2ccc3ccn(Cc4ccc(CO)cc4)c3c2)c1 1174571785 YIKGTBUBGWMCIW-UHFFFAOYSA-N 399.450 3.533 0 40 GHAB COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)N2CC[C@@]3(O)C[C@H]3C2)c1 664216297 GOLLULJTCBDXEY-BGWNEDDSSA-N 394.515 3.762 0 40 GHAB COc1ccc([C@@H]2CN(C[C@H]3CCOC3)C[C@H]2c2cc(C(F)(F)F)[nH]n2)cc1 12128671 WNGYFPVLWDHFJV-XOKHGSTOSA-N 395.425 3.657 0 40 GHAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cc2c(s1)CCC2 12144937 PNOKNJDDKATSGF-CQSZACIVSA-N 399.541 3.731 0 40 GHAB COc1cc(CN(Cc2ccc(F)cc2)C[C@H]2CCCO2)cc(OC)c1O 12187106 XGDPDHWOBTYOJX-GOSISDBHSA-N 375.440 3.730 0 40 GHAB CCC(CC)C(=O)N[C@@H]1CC(C)(C)Cc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc21 12241884 QAJSTZKCKDPPAO-RLFYNMQTSA-N 388.556 3.656 0 40 GHAB CC[C@H](NC(=O)Cc1nnc(S)n1Cc1ccccc1)c1ccc(C)cc1 13002474 XUDISGCJGCXDOL-SFHVURJKSA-N 380.517 3.734 0 40 GHAB Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)NC(C)C)c3)cc2s1 13097716 PRDCTLYRWKGLJR-UHFFFAOYSA-N 389.502 3.544 0 40 GHAB Cc1cccc(CC(=O)N2CCC[C@@H](c3nc(-c4ccsc4)cc(=O)[nH]3)C2)c1 19234687 GTNDBMWAOOSQSR-QGZVFWFLSA-N 393.512 3.756 0 40 GHAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2nn(C)cc2-c2ccncc2)c1 19290061 CKKOMPBTBBBVLT-OAQYLSRUSA-N 390.487 3.787 0 40 GHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CC2)C1 19528803 OKXAORPZQMCHSB-QFIPXVFZSA-N 382.529 3.722 0 40 GHAB O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(Br)cc1 3293354 GFSLHDOVHKQJQL-UHFFFAOYSA-N 398.669 3.847 0 40 GHAB CCOc1cc(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)ccc1OC 12119230 VZSDFCYDSBUFQL-KRWDZBQOSA-N 382.460 3.839 0 40 GHAB COc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1OC 12329214 CDOQJIUMNNXYID-UHFFFAOYSA-N 380.448 3.528 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CSc1cccs1 12974652 FKFDJSXVEYMIGN-UHFFFAOYSA-N 399.335 3.666 0 40 GHAB O=C(CCc1ccccc1Br)N[C@H](Cn1nccn1)c1ccccc1 239611773 FEKQTBLTUXVMPJ-GOSISDBHSA-N 399.292 3.531 0 40 GHAB CC1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccccc3)cs2)CC1 2723357 ILBPOQZODWDUIR-UHFFFAOYSA-N 389.546 3.740 0 40 GHAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(N2C(=O)CCC2=O)cc1 4072505 XOLUWTCZXLRBBU-UHFFFAOYSA-N 385.832 3.855 0 40 GHAB COc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1 4164124 UAZRXICYFVSLQF-UHFFFAOYSA-N 391.456 3.531 0 40 GHAB CN(C)CCN(C(=O)COc1ccccc1)c1nc2c(F)cc(F)cc2s1 4359429 WTLDZIDFAYPYSK-UHFFFAOYSA-N 391.443 3.548 0 40 GHAB Cc1nc2ccc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)cc2s1 5189496 SPVHDIOSSNNOJE-UHFFFAOYSA-N 378.450 3.546 0 40 GHAB O=C(NCc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 9616127 IEGJXNKBEKKXHG-UHFFFAOYSA-N 397.653 3.944 0 40 GHAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)CC(c1ccccc1)c1ccccc1 10255941 BJQKWHDKNHHXSN-HSZRJFAPSA-N 384.479 3.913 0 40 GHAB CC(C)Oc1ccc(C(=O)NCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 16838540 YQYYZDHPBQWKRD-UHFFFAOYSA-N 380.400 3.788 0 40 GHAB O=C(COc1ccccc1F)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 575614945 LJYLOMHCSBHBQM-UHFFFAOYSA-N 399.388 3.891 0 40 GHAB COC(=O)NC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc(C)c1C 5145105 FMDKWHGHDAIIGL-UHFFFAOYSA-N 396.852 3.532 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3C2)sc2c1CCCC2 8843833 MRCWSAZUKJSVPY-AWEZNQCLSA-N 385.485 3.993 0 40 GHAB O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(Cn2ccnc2)c1 25174441 WPEPOJQQRBPRTC-UHFFFAOYSA-N 379.445 3.614 0 40 GHAB CCCCc1nc(C)c(C(=O)NCc2ccccc2CN2CCCC2=O)s1 40093948 SNSFJZNHYCNVIR-UHFFFAOYSA-N 385.533 3.847 0 40 GHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CCN(Cc2ccco2)CC1 40103229 LCGSPZTUNGBMME-UHFFFAOYSA-N 385.798 3.884 0 40 GHAB CCCN1CCc2c(sc3ncn4nc(-c5ccc(OC)cc5)nc4c23)C1 20442168 MHVFKJYGADXIRD-UHFFFAOYSA-N 379.489 3.783 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1cccs1 32794773 VTFMLXAOAQIMOB-VXGBXAGGSA-N 393.306 3.741 0 40 GHAB CCOC(=O)[C@@H](NC(=O)[C@@H]1CC=CCC1)c1c(C)nn(-c2ccccc2)c1C 32740933 ZWEDKYNCEUPFPA-XLIONFOSSA-N 381.476 3.566 0 40 GHAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc2c(c1)OCO2 2626008 PVGFLSYDGNONPI-UHFFFAOYSA-N 386.458 3.741 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(COc2ccc(F)cc2)o1 875968 BFFPESDEYHARQL-BETUJISGSA-N 379.457 3.669 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3n[nH]c(=O)c4ccccc34)sc2C)cc1 8694156 WLYWRIOHVNGMHG-UHFFFAOYSA-N 392.440 3.616 0 40 GHAB COc1cc(CN(C)CC(=O)Nc2ccc(F)cc2F)ccc1OC(F)F 3540948 GVHGRBJDFCZOPG-UHFFFAOYSA-N 386.345 3.645 0 40 GHAB COc1ccc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(OC)c(OC)c2)cc1OC 3996196 PEUUVVGQIVMSAW-AJAKECSLSA-N 386.444 3.796 0 40 GHAB biogenic,in-vitro CCOC(=O)CCSc1nnc(-c2ccccc2OC)n1-c1ccccc1 4126915 KMYOSQZDVSCERH-UHFFFAOYSA-N 383.473 3.988 0 40 GHAB Cn1c(SCCN2CCCCC2)nnc1-c1ccccc1Br 4130170 QVNPHWFVUULIIZ-UHFFFAOYSA-N 381.343 3.823 0 40 GHAB CN1CCC(CCNC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CC1 103311744 ANFHYJZUZQBMSC-SFHVURJKSA-N 381.467 3.697 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 8413417 ZWGUALVEGXPVKQ-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB COc1cc(CNC[C@H](C)O)cc(Br)c1OCc1ccc(F)cc1 8497874 DTXSGTKVGOTQFY-LBPRGKRZSA-N 398.272 3.646 0 40 GHAB O=C(Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1)c1ccco1 22411544 HFDZVLFOGQHXTI-UHFFFAOYSA-N 376.821 3.986 0 40 GHAB O=C1CCC[C@]2(O)[C@@H]1[C@H](c1ccc(Cl)cc1)NC(=O)N2Cc1ccccc1 3191423 SKGMVKYQDKBNJV-ZJOUEHCJSA-N 384.863 3.664 0 40 GHAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(C(F)(F)F)cc1 24044935 YKERUWXOBWVUOZ-SFHVURJKSA-N 378.394 3.509 0 40 GHAB CC(C)NC(=O)c1cnc(Sc2ncc(C(F)(F)F)cc2Cl)n1C 1388839 RKSNSTJXJQWVDI-UHFFFAOYSA-N 378.807 3.777 0 40 GHAB CC(C)(C)NS(=O)(=O)c1cccc(C(=O)Nc2cnc3ccccc3c2)c1 12590306 KCFAKXOLZMURNR-UHFFFAOYSA-N 383.473 3.564 0 40 GHAB Cc1ccc2c(CC(=O)NC3CCN(Cc4ccccn4)CC3)coc2c1C 53989957 RFOCWMPMPJIDIN-UHFFFAOYSA-N 377.488 3.768 0 40 GHAB O=C(COCc1nc2ccccc2s1)Nc1cccc(Cn2ccnc2)c1 25173104 WNUKKJFCPGLOAJ-UHFFFAOYSA-N 378.457 3.696 0 40 GHAB Cc1ccc(Br)cc1NC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 106916244 TVPPPPDLSLODHU-JLJPHGGASA-N 378.314 3.706 0 40 GHAB O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2 107349480 IKCHFJXBVFYKJL-CBVHJVASSA-N 396.453 3.631 0 40 GHAB COc1ccc(Nc2nnc(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)s2)cc1 3292616 CZFQXVATZIKCIL-CHWSQXEVSA-N 392.550 3.887 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 26474921 GNIFHUYKVIWZDL-HSZRJFAPSA-N 389.499 3.898 0 40 GHAB COc1cccc(-c2nc(C(=O)Nc3ccc4c(c3)OCCO4)cs2)c1OC 22990312 KXEAJUJNILRIFR-UHFFFAOYSA-N 398.440 3.851 0 40 GHAB Cc1noc(CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)n1 12606459 DBXUFNHRTVOHAR-AWEZNQCLSA-N 384.509 3.798 0 40 GHAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1nc(-c2ccccn2)cs1 12607267 LERQSSQMMLKNQA-CQSZACIVSA-N 378.457 3.735 0 40 GHAB O=C(c1cc(Cl)c[nH]1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 48250151 WKPUZJTVNPSCNW-UHFFFAOYSA-N 393.196 3.698 0 40 GHAB COc1ccc(Cn2nnnc2SCc2cc(-c3cccs3)on2)cc1 10278570 LVSWKJBTPDASLH-UHFFFAOYSA-N 385.474 3.739 0 40 GHAB COC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 3314047 GTDGBEHQEBJMOG-UHFFFAOYSA-N 398.465 3.972 0 40 GHAB O=C(CCCc1nc2ccccc2s1)NCC(=O)Nc1ccc(F)c(F)c1 3354379 JVBUQSQUWKBJSS-UHFFFAOYSA-N 389.427 3.652 0 40 GHAB O=C(CNC(=O)c1ccc(F)cc1F)N[C@H]1CCSc2ccc(Cl)cc21 12730454 OQIYOUHAINBZGS-HNNXBMFYSA-N 396.846 3.701 0 40 GHAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CC(=O)N(CCc2ccccc2)C1 12785655 ULAFPLXOYBGJBJ-AWEZNQCLSA-N 399.903 3.979 0 40 GHAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccs1 2421585 GZSLKNVVPFQCKS-GOSISDBHSA-N 382.485 3.742 0 40 GHAB CCCCCOC(=O)c1c(N)n(CCCOCC)c2nc3ccccc3nc12 2429315 JZBBBYBIPPSQJH-UHFFFAOYSA-N 384.480 3.940 0 40 GHAB COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nc(NC(C)=O)nc3N2)cc1 2409636 CVEITRZQNJZSPD-ZWKOTPCHSA-N 381.411 3.531 0 40 GHAB COc1cc(C)c(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1OC 11647851 GMDCZTILISWZCL-UHFFFAOYSA-N 398.488 3.880 0 40 GHAB CSc1nc2n(n1)[C@H](c1cccs1)[C@@H](C(=O)Nc1ccccc1)[C@@H](C)N2 11694945 YGZONMMUUAUSDW-BYCMXARLSA-N 385.518 3.720 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 3413710 BQBJKQIBLTYNIQ-UHFFFAOYSA-N 398.887 3.691 0 40 GHAB C[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc2c(c1)CCCC2 12920280 ITKURJBZFUKKCE-MRXNPFEDSA-N 390.483 3.705 0 40 GHAB CC(C)c1ccc(CN(C(=O)c2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 4183267 XPKWOBHUMJZCMI-KRWDZBQOSA-N 377.531 3.701 0 40 GHAB CCOc1ccccc1C(=O)Nc1nnc(Cc2nc3ccccc3[nH]2)s1 20190033 NWPQMBPXUQATMF-UHFFFAOYSA-N 379.445 3.656 0 40 GHAB CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCc3ccncc3)ccc12 5302382 DVWSYOALURDBJL-INIZCTEOSA-N 394.471 3.923 0 40 GHAB Cc1nc(Cn2ccnc2[C@H]2CN(C(=O)C3CC3)Cc3ccccc32)cs1 306126497 DXSHNNLHWVLZOD-IBGZPJMESA-N 378.501 3.580 0 40 GHAB O=C(COC(=O)c1cc2c(s1)CCCCC2)NCCc1ccc(F)cc1 5361677 QSYFGWGVDFAHOZ-UHFFFAOYSA-N 375.465 3.672 0 40 GHAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(NCCOC)s2)cc1 6428138 ASGQXHFIIAXWGF-GFCCVEGCSA-N 380.539 3.841 0 40 GHAB Cc1ccccc1-c1noc(COC(=O)c2ccc(OCC(F)(F)F)nc2)n1 14169107 BWUKVURCSSZYMY-UHFFFAOYSA-N 393.321 3.738 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 4956276 PMMYQABIAIQCGE-UHFFFAOYSA-N 384.432 3.612 0 40 GHAB CCOc1ccc(-n2c(CSCCC(=O)OC)nc3ccccc3c2=O)cc1 7062752 SBEDHQHECGQMRB-UHFFFAOYSA-N 398.484 3.581 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](c1cccc(F)c1)c1nccn1C 9154124 IHYMWRFBXISHFN-SCLBCKFNSA-N 387.842 3.886 0 40 GHAB CC[C@@H]1c2ccsc2CCN1CC(=O)N(C)CC(=O)Nc1c(C)cccc1C 15547447 XTSOAPCEGJBMQR-GOSISDBHSA-N 399.560 3.771 0 40 GHAB Cc1ccc(CN2C[C@@H](c3ccnn3C(C)C)[C@@]3(CCCN(C)C3=O)C2)s1 306130613 JKZNVVPUEZVCLS-GHTZIAJQSA-N 386.565 3.672 0 40 GHAB COc1cc2nc(/C(Cl)=C/c3cc(C)c(O)c(C)c3)[nH]c(=O)c2cc1OC 7502912 YBGYXYXJRWWSGW-AUWJEWJLSA-N 386.835 4.000 0 40 GHAB COC(=O)c1ccc(OCc2ccc(OC)c(Br)c2)c(OC)c1 7623179 YKFUZSBARAWWSS-UHFFFAOYSA-N 381.222 3.832 0 40 GHAB COc1cc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc(OC)c1OC 7785194 KMKOAAZGVNNEPX-UHFFFAOYSA-N 399.472 3.802 0 40 GHAB O=C(COC(=O)c1cc2ccccc2[nH]1)NCCSc1ccc(Cl)cc1 7837694 FUOZPPDAVCCYLU-UHFFFAOYSA-N 388.876 3.887 0 40 GHAB NC(=O)[C@@H]1CN(c2ncnc3sc(-c4ccccc4)cc23)c2ccccc2O1 7813719 QQEIVVMRRLCOSD-KRWDZBQOSA-N 388.452 3.743 0 40 GHAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C(C(=O)OCC)=C(C)N2 7990969 WGIKLMKMUFLDJJ-CYBMUJFWSA-N 391.518 3.728 0 40 GHAB Cc1cc(=O)n2nc(CN3CCCC[C@H]3c3nc4ccccc4s3)sc2n1 8005385 UJVDTLYLEYSPAU-AWEZNQCLSA-N 397.529 3.796 0 40 GHAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(N3CCCCCC3)cc2)Oc2ccccc21 8189983 ARFHBKZRYAOGIU-QFIPXVFZSA-N 393.487 3.820 0 40 GHAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1 8281326 HWWUAUXTVIYNDU-UHFFFAOYSA-N 384.842 3.627 0 40 GHAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2c(c1)OCO2 8389359 APCFFURUTBWVJU-FDBJDISXSA-N 398.503 3.711 0 40 GHAB CCN(C[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCCC3)C1)CC(F)(F)F 72311404 YSLCMXSPNNVKJI-QGZVFWFLSA-N 382.470 3.841 0 40 GHAB O=C(COC(=O)[C@H]1C[C@@H]1c1ccco1)Nc1ncc(C(F)(F)F)cc1Cl 84432299 LNEAJZUBQARHET-UWVGGRQHSA-N 388.729 3.632 0 40 GHAB O=C(Cc1ccccc1)N1CCC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306138547 SAFAHIVVDZZYMR-NRFANRHFSA-N 397.482 3.740 0 40 GHAB Nc1c(C(=O)NCc2cccs2)sc2nc3cc4c(cc3cc12)OCO4 35311059 CBDDFIJRDSTUTL-UHFFFAOYSA-N 383.454 3.752 0 40 GHAB Cc1nnc(-c2ccc(C(=O)NC[C@H](C)c3nc(-c4ccccc4)no3)cc2)o1 89736384 XMZUYLONSLFEFZ-ZDUSSCGKSA-N 389.415 3.629 0 40 GHAB CCCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 89954698 VREMIBRVNLUNCL-GFCCVEGCSA-N 379.309 3.815 0 40 GHAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1C 408600390 AMIPSEFXXLBDOT-UHFFFAOYSA-N 396.468 3.948 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1 28731373 FXRKNFKPWHFAJW-ZDUSSCGKSA-N 394.452 3.578 0 40 GHAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Cl)c1OCC 409137739 XIJTXFJOCYJJHA-GXDHUFHOSA-N 385.869 3.820 0 40 GHAB Cc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c1C 408550767 DVGHLHNQFQKHNK-MRXNPFEDSA-N 382.485 3.762 0 40 GHAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2F)C1=O 409311365 ZMXWSBURNGSAMX-MHWRWJLKSA-N 386.404 3.509 0 40 GHAB Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72374842 OXJHQJMDHKCMGA-IBGZPJMESA-N 393.535 3.639 0 40 GHAB CCOc1ccc(N[C@H]2CC(=O)N(c3ccccc3Br)C2=O)cc1 36635821 LNQRJETWTIXVHU-HNNXBMFYSA-N 389.249 3.592 0 40 GHAB COc1cc(CN2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)ccc1O 72396688 NIJSYJOFGQYANM-CQSZACIVSA-N 386.477 3.595 0 40 GHAB CC(C)COc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1Cl 30511965 QFAHJEBQILXFHU-UHFFFAOYSA-N 385.851 3.723 0 40 GHAB CCN(CC)C(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 44849300 UADTUMCZYDCLLJ-UHFFFAOYSA-N 380.897 3.931 0 40 GHAB COc1ccc(NC(=O)CSc2ccc(-c3nc(C)no3)cn2)cc1Cl 49405515 LUIAMOJNOXBYLJ-UHFFFAOYSA-N 390.852 3.833 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)COc3ccccc3C(C)C)n2)c1 222814652 VFJCEUWNYAXOSZ-UHFFFAOYSA-N 395.459 3.906 0 40 GHAB CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccccc1F)S(C)(=O)=O 220594717 SLSZWIQXWULXLG-QGZVFWFLSA-N 392.496 3.934 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 223044046 VKNXWHLYKOANDR-NRFANRHFSA-N 382.504 3.707 0 40 GHAB Cc1nc(-c2ccccc2)ncc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 225792505 JUEKJLRGWQUXQT-DHZHZOJOSA-N 398.510 3.923 0 40 GHAB O=C(O)C[C@@H]1CCCN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)C1 516856341 COOSBMJJQVBSOG-JTQLQIEISA-N 380.857 3.577 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)ccc21 223005796 VTCQWKIPLOTPTH-UHFFFAOYSA-N 378.881 3.748 0 40 GHAB CCc1cccc(NC(=O)N2CCc3onc(COc4cccnc4)c3C2)c1 96260071 SEIFLIVJMIFSAG-UHFFFAOYSA-N 378.432 3.801 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(Cc2cccnc2)C2CC2)[C@@H]1c1ccccc1 257269848 MRQQTXFGLGASSU-IRLDBZIGSA-N 377.488 3.572 0 40 GHAB Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)C2CC2)CC1 257340601 ZGWBNPGRNAGGKD-UHFFFAOYSA-N 376.500 3.709 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCCN2CCCC[C@H]2CC)c1 260735452 ISMZVISAWRHTTN-GOSISDBHSA-N 377.554 3.804 0 40 GHAB O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)N[C@@H]1CC12CCOCC2 667600980 MWDPBMXLBHAVMM-GFCCVEGCSA-N 398.410 3.915 0 40 GHAB O=C(NCc1ccccc1CC(F)(F)F)Nc1cccc(N2CCOCC2)c1 626310280 DVWHWISNTDVLOE-UHFFFAOYSA-N 393.409 3.950 0 40 GHAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1cccc(OCc2ccccn2)c1 55646928 CCMABJMAUFBWCZ-AOMKIAJQSA-N 390.439 3.678 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)CS(=O)(=O)CCCc1ccccc1 59251959 NLGYPDXYXUYQOI-MISYRCLQSA-N 379.566 3.611 0 40 GHAB Cc1nn(C)c(NC(=O)NC(C)(C)c2ccc(F)cc2F)c1Br 1677890348 QUHNWPITCVUZIT-UHFFFAOYSA-N 387.228 3.826 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(Cl)c1 7402268 QIYOKZASHZYERV-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB CCOc1ccc2[nH]c3c(N4CCN(C5CCCCC5)CC4)ncnc3c2c1 5253021 SMPWHZMWOBZGDM-UHFFFAOYSA-N 379.508 3.965 0 40 GHAB CCN(CC)c1ccc(-c2nc3cnccn3c2NC[C@H]2CCCO2)c(OC)c1 12113882 OOADBNYGQHRIFQ-QGZVFWFLSA-N 395.507 3.842 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1Cl 14373171 ACYCIHBPKCRJOW-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB O=C1N/C(=C/c2ccc(O)c(Br)c2)C(=O)N1c1cccc(Cl)c1 15012211 GLHJUXUBMHUYEG-NTUHNPAUSA-N 393.624 3.905 0 40 GHAB CC(C)c1nccn1CCC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 19454483 NHEOBOHELUNHLY-HXUWFJFHSA-N 391.519 3.835 0 40 GHAB CCCN1CCC(C[C@H]2CC(c3ccccc3F)=NO2)(C(=O)OCC)CC1 19502611 MXVCELVNMGKYEC-MRXNPFEDSA-N 376.472 3.764 0 40 GHAB CCn1c(CN2CCC(n3c(=O)oc4ccccc43)CC2)nc2ccccc21 19524298 NUBBSBKMDNYYFG-UHFFFAOYSA-N 376.460 3.801 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H]2COc3c(cccc3OC)C2)c1 19551280 GJTAGXHMZLNBFS-LPHOPBHVSA-N 397.471 3.627 0 40 GHAB CN1CCN(C(=O)C2CCC2)C[C@H](Cc2ccccc2-c2cccs2)C1=O 19589652 PVTJEUMOIAWLTC-SFHVURJKSA-N 382.529 3.675 0 40 GHAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC[C@H](N4CCCC4)C3)c2)n1 19718348 LPSHUKCNGIUGAS-SFHVURJKSA-N 386.927 3.843 0 40 GHAB CCCn1ncc2ccc([C@H]3CCCN(CC(=O)Nc4ccccc4F)C3)nc21 19743652 SVWDBHCRZKPFSS-KRWDZBQOSA-N 395.482 3.799 0 40 GHAB c1ccc(-c2nnc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)o2)cc1 3532086 JNKHEZCNEYPFSJ-UHFFFAOYSA-N 380.385 3.808 0 40 GHAB Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(F)c(Cl)c1 4251992 IUYSGWPBNHLCDS-UHFFFAOYSA-N 376.844 3.787 0 40 GHAB COc1cc(/C=C/C(=O)OCC2CCN(Cc3ccccc3)CC2)ccc1O 1772634676 QJDRBHVMOOPIGE-CSKARUKUSA-N 381.472 3.869 0 40 GHAB Clc1cnccc1N1CCC[C@H](COc2ncc(Br)cn2)C1 1776000940 QRVWSVCMNXNJOF-NSHDSACASA-N 383.677 3.583 0 40 GHAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)c1cccc(F)c1 2724978 MGZZWUGDYZDALV-SANMLTNESA-N 389.839 3.679 0 40 GHAB COc1ccc(OC)c(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1 15880955 QQXUNLOUJUBDJD-UHFFFAOYSA-N 397.456 3.594 0 40 GHAB COc1ccc(NC(=O)COc2cccc3ccc(N4CCCC4)nc23)cc1 16954050 XZVKETZWOLZCPE-UHFFFAOYSA-N 377.444 3.861 0 40 GHAB COc1cccc(C(=O)N(C)c2ccc(Oc3ccc(C)nn3)cc2)c1OC 44213767 VYAAYGKUTZSOAH-UHFFFAOYSA-N 379.416 3.871 0 40 GHAB O=C(Cc1ccc(-n2cnnn2)cc1)NCCC(c1ccccc1)c1ccccc1 96118296 WDYBUOSSDOAYJP-UHFFFAOYSA-N 397.482 3.543 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N[C@@H](c2ccccc2F)c2nccn2C)s1 40013273 SAQIXWOHBWMQKL-IBGZPJMESA-N 385.464 3.798 0 40 GHAB Cc1[nH]c2ccc(C(=O)OCc3nc(N)nc(Nc4ccccc4)n3)cc2c1C 20077606 IIFQREXSJKPYNF-UHFFFAOYSA-N 388.431 3.653 0 40 GHAB Cc1ccc(-n2ccnc2SCc2cc(=O)n3nc(C)sc3n2)c(C)c1 40119294 SGAXOXILJVXFIQ-UHFFFAOYSA-N 383.502 3.554 0 40 GHAB CC(C)N1CCc2nc3sc(C(=O)NCc4ccccc4)c(N)c3cc2C1 20289871 LHSVLJLQANGGEC-UHFFFAOYSA-N 380.517 3.575 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1 32579387 RZAOSDPDLLOEAD-LLVKDONJSA-N 389.431 3.758 0 40 GHAB CN1CCN(CCCNc2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 32743540 DZZMOZRDCUBUEO-UHFFFAOYSA-N 385.512 3.547 0 40 GHAB COC(=O)C1(c2ccccc2)CCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1 29615290 YDNVBLHGQJOKIK-UHFFFAOYSA-N 380.419 3.654 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 8273673 KZKPYCQCRBMIIP-OAHLLOKOSA-N 377.440 3.846 0 40 GHAB CC(C)Cn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O 70666400 FOXBPXMGJZAEFL-UHFFFAOYSA-N 378.428 3.681 0 40 GHAB biogenic CC[C@H](C)NC(=O)COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 2664912 KYRNSQPBLBYREZ-NSHDSACASA-N 389.452 3.606 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3C)C2)cc1 792337 GUVPIPDXPZMBJT-SFHVURJKSA-N 386.517 3.651 0 40 GHAB Cc1c(C(=O)Nc2ccc3c(c2)OCO3)cnn1-c1ccc(C(F)(F)F)cn1 32895285 REXADLBBIRRWHR-UHFFFAOYSA-N 390.321 3.576 0 40 GHAB Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCC(C)(O)CC2)c1 79106978 KFUICJOPUKXDOR-UHFFFAOYSA-N 393.462 3.974 0 40 GHAB CCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 79108218 UAHIUGWZCVTSSY-LJQANCHMSA-N 398.528 3.906 0 40 GHAB COCCOc1cc(NC(=O)c2c(C)nn(C(C)(C)C)c2C)ccc1OC 52666687 AUGGXCJGZJZIFI-UHFFFAOYSA-N 375.469 3.541 0 40 GHAB Cc1ccc(-c2nsc(SCC(=O)NCc3ccc4c(c3)OCO4)n2)cc1 2917475 FSMUMEOIENDLHQ-UHFFFAOYSA-N 399.497 3.651 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2c(c1=O)S[C@H](C)C2 4107923 DPIYGJLWNZWVPY-SNVBAGLBSA-N 395.937 3.684 0 40 GHAB CC(C)c1nnc(NC(=O)CCCCC(=O)Nc2nnc(C(C)C)s2)s1 4837877 YGMGCSGDKXFJJQ-UHFFFAOYSA-N 396.542 3.774 0 40 GHAB O=c1[nH]c(CSc2nnc(-c3ccccc3)[nH]2)nc2sc3c(c12)CCCC3 6082720 KUJKHTJJDDGYLC-UHFFFAOYSA-N 395.513 3.941 0 40 GHAB Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 6449063 GAIGPBHRLFJNAW-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB Cc1ccccc1OCC(=O)NCC(=O)OCc1ccc(Cl)c(Cl)c1 10000560 KFCSHQIAOJZDHG-UHFFFAOYSA-N 382.243 3.540 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC(C)CC3)ccc2C)cc1 10112940 MAMSWRIGVQFDGE-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1cccc(Cl)c1 8414011 OPYBYQDDSJCFKS-UHFFFAOYSA-N 388.851 3.803 0 40 GHAB COC(=O)c1sc(NC(=O)c2ccccc2F)c(C(=O)OC(C)C)c1C 663032 SEDIQPSOQKXZGL-UHFFFAOYSA-N 379.409 3.800 0 40 GHAB CCCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1CCCOC 12410034 TXVCPQYVLYSMQQ-UHFFFAOYSA-N 392.521 3.713 0 40 GHAB OCCN1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3c(F)cccc32)CC1 22440940 XIEVOXKEUSGXPC-GOSISDBHSA-N 392.927 3.837 0 40 GHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc(OC[C@H]2CCCO2)c1 22609597 QRDXQCNJAPMQFU-DHIUTWEWSA-N 394.515 3.811 0 40 GHAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(Cc2ccc(Cl)s2)CC1 22876987 QJRRHQADTWQUAQ-CYBMUJFWSA-N 388.924 3.517 0 40 GHAB CC(C)(C)C(=O)N[C@H](n1cnc2c(Cl)ncnc21)C(Cl)(Cl)Cl 879761 NKISBMWYNJHMDE-SECBINFHSA-N 385.082 3.511 0 40 GHAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NC1CCCC1 829927 RHEDPRSDBLGQFH-UHFFFAOYSA-N 392.908 3.594 0 40 GHAB O=C(Nc1ccncc1)C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 24701622 FRLPEQQQDQBZBF-UHFFFAOYSA-N 391.393 3.520 0 40 GHAB COc1ccc(OCCN(C)C(=O)c2ccccc2NC(=O)c2ccco2)cc1 12568704 WPJSWOARPMTUMC-UHFFFAOYSA-N 394.427 3.692 0 40 GHAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(C(F)(F)F)cc2)cc1 24208155 YOFSICWRWXLXTL-IBGZPJMESA-N 392.421 3.817 0 40 GHAB Cc1cccc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1C 1467513 PMKQTXGSBPOQLB-UHFFFAOYSA-N 384.487 3.759 0 40 GHAB C[C@@H](NC(=O)CN1CCn2cccc2[C@@H]1c1ccccc1)c1ccc(F)cc1 26163680 IQZMGIOLJVXYTE-HXOBKFHXSA-N 377.463 3.910 0 40 GHAB CCOc1cc2c(cc1CSc1nnnn1-c1cccc(C)c1)O[C@H](C)C2 12692134 MJPCBLTZWKJVLU-CQSZACIVSA-N 382.489 3.985 0 40 GHAB C[C@@]1(c2cccs2)NC(=O)N(Cc2cccc(OCC(F)(F)F)c2)C1=O 57497598 ZUKSWPCXEKBCAS-INIZCTEOSA-N 384.379 3.656 0 40 GHAB CCNC(=O)c1cccc(CNC(=O)c2cn(CC(C)C)c3ccccc23)c1 58099391 GRXRBQSMPINRJU-UHFFFAOYSA-N 377.488 3.977 0 40 GHAB O=C(COC(=O)c1ccc2ncsc2c1)Nc1cccc(Br)c1 3395315 QYKLXKOLHQMUMV-UHFFFAOYSA-N 391.246 3.854 0 40 GHAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccccc4)c3)nn12 10010193 XHSDANAMPOKLMU-UHFFFAOYSA-N 379.445 3.676 0 40 GHAB Cc1nn(Cc2ccc(C(=O)NCc3ccco3)cc2)c(C)c1Br 27970090 NKCWONBJIBTMRX-UHFFFAOYSA-N 388.265 3.834 0 40 GHAB O=C(CCC(=O)c1cccs1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 58218792 YXMICGXKHVWTFQ-CYBMUJFWSA-N 378.444 3.632 0 40 GHAB CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)C1 69417927 AKNKOKGSXQYWLC-WMLDXEAASA-N 378.900 3.602 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC(F)F)CC1 58394297 WQUUDMJSFLBFJX-JTQLQIEISA-N 381.250 3.606 0 40 GHAB CCOC(=O)[C@@](O)(c1ccc(N(C)C(=O)Nc2ccccc2)cc1)C(F)(F)F 2274853 RGFLFORNONRZDQ-SFHVURJKSA-N 396.365 3.668 0 40 GHAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(COc2cccc(F)c2)c1 48326194 NIMOQAAYFNNUFW-AWEZNQCLSA-N 382.391 3.755 0 40 GHAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1N 2374756 SIRNYABJVAZQGG-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB CCN(CC)[C@@H](CNC(=O)COc1ccc(Cl)cc1)c1cccc(OC)c1 10917444 QSKXZPWCMXOTCN-FQEVSTJZSA-N 390.911 3.927 0 40 GHAB CCOC(=O)c1ccsc1NC(=O)COc1ccc(Cl)cc1C(C)=O 12800589 OOUOEIAOWMHLII-UHFFFAOYSA-N 381.837 3.798 0 40 GHAB CCc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@](O)(C(F)(F)F)C2)cc1 409096356 JVPKMKNGGUVXDM-GOSISDBHSA-N 380.341 3.889 0 40 GHAB Cc1ccccc1-n1c(S[C@H]2CCOC2=O)nc2sc(C)c(C)c2c1=O 3441856 XNGMYYGQWQVFDY-AWEZNQCLSA-N 386.498 3.780 0 40 GHAB Cc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 3566271 BOSJMOVXORXTTB-UHFFFAOYSA-N 390.480 3.807 0 40 GHAB O=C(COC(=O)c1cccc(Cl)c1Cl)Nc1ccc2c(c1)OCCO2 3500455 ZVSCUOTYSAKEPN-UHFFFAOYSA-N 382.199 3.560 0 40 GHAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(F)cc1F)C(C)C 3517840 KYMPJCZLVVFCMH-SFHVURJKSA-N 376.403 3.757 0 40 GHAB C[C@H](NC(=O)CCSc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 12933959 YBMUUFYFINDPNL-ZDUSSCGKSA-N 381.494 3.589 0 40 GHAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1ccc(Br)cn1 28234738 USYXCZOEDTYDBP-MRVPVSSYSA-N 391.191 3.643 0 40 GHAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(Cl)cc3c2OCOC3)C1=O 5226412 GBEPRIBOKNDJHQ-FQEVSTJZSA-N 386.835 3.564 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2N2CCCC2)n1C 14095916 KNTSXLPFUQEGSX-UHFFFAOYSA-N 397.504 3.715 0 40 GHAB COc1ccc([C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1 14200021 KOVKXJUWBIHSPW-OAQYLSRUSA-N 395.480 3.618 0 40 GHAB O=C(Cc1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1 4663016 SFWOSTHKGAIUQD-UHFFFAOYSA-N 393.712 3.994 0 40 GHAB COc1ccc(CCNC(=O)N(C)Cc2nc3ccccc3s2)cc1OC 14683435 JBCMZEWSWMTCSQ-UHFFFAOYSA-N 385.489 3.698 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(OC)c2)n1C 4735964 WOLFIYGQAWFNJT-UHFFFAOYSA-N 398.488 3.620 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(N)cc1 4740022 UUGCQUYGXWKYQE-UHFFFAOYSA-N 381.505 3.895 0 40 GHAB CCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(C)cc1 6721096 XNJAQAHXKITDBS-MSOLQXFVSA-N 393.516 3.539 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccccc2)N1C[C@@H]1CCCO1 6752748 FEBVRARWOYOJEP-BTYIYWSLSA-N 375.428 3.507 0 40 GHAB COc1ccc(CNc2nnc(S[C@@H](C)C(=O)NC(C)(C)C)s2)cc1 8936269 RPENUFLDMISRMD-NSHDSACASA-N 380.539 3.554 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4ccoc4C)o3)n2)cc1 7166840 QGDKTMJDDDEJOH-UHFFFAOYSA-N 395.448 3.750 0 40 GHAB C[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1 15550877 VAXQCFDNVFYYIM-IAGOWNOFSA-N 397.494 3.742 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 7410097 UEDDBVJAIHLUBD-UHFFFAOYSA-N 375.780 3.945 0 40 GHAB CC(=O)Nc1ccccc1OCC(=O)N(Cc1ccccc1)Cc1ccco1 7895566 FFCVXSNDDCWPLX-UHFFFAOYSA-N 378.428 3.846 0 40 GHAB CCOc1ccccc1N1CCN(c2ncnc3sc4c(c23)CCC4)CC1 8147525 FCFRFQTVMJEZFV-UHFFFAOYSA-N 380.517 3.905 0 40 GHAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 19938181 VKNKXQSJWKHTKR-UHFFFAOYSA-N 397.544 3.769 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CCn1ccnc1)CC2 72280527 FCONJCYUATYCNE-NRFANRHFSA-N 397.500 3.526 0 40 GHAB C[C@H](CNC[C@H](O)COc1ccc(F)cc1)c1cccc(Br)c1 84640035 DQURLFNALPQALH-DYVFJYSZSA-N 382.273 3.721 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900488 YBVGYFIOYHRDMU-NRFANRHFSA-N 393.462 3.646 0 40 GHAB CCCCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 28208418 URBAOWJFSYJYBH-UHFFFAOYSA-N 388.533 3.851 0 40 GHAB Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3CCOCc2cccc(C)n2)c1 306125268 CKWKWTCWEPGOCC-HXUWFJFHSA-N 380.488 3.536 0 40 GHAB Cc1ccc(C(=O)N2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 306143487 YDKUVEPYAGAPQE-FQEVSTJZSA-N 383.455 3.729 0 40 GHAB Cc1ccc(C2=N/C(=C\c3ccccc3I)C(=O)N2)cc1 4653892 ROKWKYSGRHBHNB-GDNBJRDFSA-N 388.208 3.517 0 40 GHAB CC(C)Oc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 408709168 YICDFNKQEWLRBX-INIZCTEOSA-N 386.879 3.797 0 40 GHAB Cc1cc(C(=O)Cn2c(=O)oc3cc(Cl)ccc32)c(C)n1-c1nccs1 32747413 UPSRUMOHLOOZHZ-UHFFFAOYSA-N 387.848 3.995 0 40 GHAB CC(=O)Nc1sc2n/c(=N\C(=O)c3ccccc3)sn2c1-c1ccccc1 35681836 WHRAWJYCGSFOAJ-DYTRJAOYSA-N 394.481 3.824 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2OCC)cc1NC(=O)CC 408698070 NFWYOWZDBSLOCR-UHFFFAOYSA-N 392.477 3.633 0 40 GHAB CC(C)(C)CC(C)(C)N1C[C@H](C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O 39404095 WEOYNACTHPFLBI-GFCCVEGCSA-N 380.558 3.837 0 40 GHAB COc1cccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccc(F)cc4)c32)c1 66087847 HODZCLPEWUWACM-MRXNPFEDSA-N 380.375 3.797 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ccc(Nc4cnccn4)cn3)C2)s1 72353333 RLODVFVTRZCVCK-OAHLLOKOSA-N 394.504 3.708 0 40 GHAB NC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccc3ccccc3n2)C1 72361006 OVHIICIHPITGSA-HNNXBMFYSA-N 388.496 3.933 0 40 GHAB COc1ccc(CCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1C 225771149 UAAIPCNDCCDYQB-UHFFFAOYSA-N 379.460 3.953 0 40 GHAB S=C(Nc1ccc(Cl)cc1Cl)NC1CCN(C2CCOCC2)CC1 225212888 PWQXIISZSKXLBY-UHFFFAOYSA-N 388.364 3.923 0 40 GHAB CCOc1cc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OC 223699293 LANLWYBOPUKATP-UHFFFAOYSA-N 390.288 3.879 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(Cl)c1 222581840 IVADGLBRGLJPHO-ZDUSSCGKSA-N 395.286 3.536 0 40 GHAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1conc1-c1ccccc1 225869954 JVHWKNVXJMQXTK-UHFFFAOYSA-N 375.428 3.759 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(OC)cc1 225123321 GVTZYQBJIZUJSF-MOPGFXCFSA-N 396.531 3.878 0 40 GHAB CCCC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)N[C@H](C)CC 223198569 ONCXSWDMGQUJLW-ZIAGYGMSSA-N 383.330 3.881 0 40 GHAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1cccc(C)c1 225451082 NRGZMDKITAHIAS-JOCHJYFZSA-N 396.531 3.750 0 40 GHAB Cc1cc(C(=O)N2CCC3(CC2)CN(C)C[C@@H]3COCC2CC2)sc1C 248092798 WAQCPIUIHVHIMI-GOSISDBHSA-N 376.566 3.576 0 40 GHAB CCCN1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n(C)n2)C1 257305693 SRBMVWOARGQUTP-LJQANCHMSA-N 397.441 3.844 0 40 GHAB CC(C)(C)OC(=O)N1CCC(NC(=O)N(Cc2ccccc2F)C2CC2)CC1 584906675 FLDUHXRGHAOSEC-UHFFFAOYSA-N 391.487 3.899 0 40 GHAB NC[C@H]1CC[C@H](C(=O)NC[C@H](c2ccc(F)cc2)N2CCCCCC2)CC1 257291529 QHJMFIMYDAPYPO-YFVAEKQCSA-N 375.532 3.624 0 40 GHAB COc1cc([C@H](C)N2C(=O)N3CC4CC3(C4)C2=O)ccc1OCc1ccccc1 656798084 MPHIAZOVEBVIOO-POFQCLBPSA-N 392.455 3.762 0 40 GHAB O=C(N[C@H](CO)c1nc(-c2ccccc2)no1)c1cc2c(ccc3ccccc32)[nH]1 672045728 SLGPVUCAAUHTPZ-HXUWFJFHSA-N 398.422 3.835 0 40 GHAB Cc1cc(C)n(CCOc2ccc(CN(C)C[C@@H](O)c3ccccc3)cc2)n1 585270124 GIOFIGLTJBYSAG-HSZRJFAPSA-N 379.504 3.744 0 40 GHAB CCn1c(SCc2ccc(SC)cc2)nc2cc(S(N)(=O)=O)ccc21 5071591 WUTSYGLKLUPXBJ-UHFFFAOYSA-N 393.559 3.718 0 40 GHAB CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(Br)cc1F 5872447 CZAMMXBXDJJVBY-UHFFFAOYSA-N 396.212 3.817 0 40 GHAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)on1 12118425 YXNAODVJWOUVNH-QGZVFWFLSA-N 388.471 3.878 0 40 GHAB O=C(CCc1ccccc1F)N[C@@H]1CCCc2nc(-c3ccncc3)ncc21 13266946 UBLJNSHRGUWHOZ-LJQANCHMSA-N 376.435 3.804 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cccc(Cl)c1Cl 13583211 LLOYHXLVRRSWFK-UHFFFAOYSA-N 387.288 3.804 0 40 GHAB COc1cccc(/C=c2\sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)c1 16734944 IIFLAFAKOJYAIB-VXGMZCCXSA-N 395.871 3.531 0 40 GHAB Cc1ccccc1Nc1nc(N2CCOCC2)nc2c1cnn2-c1ccccc1 17136014 WZBGRTJNMVWVOU-UHFFFAOYSA-N 386.459 3.704 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(OC(C)C)c2)CC1 19450826 AJEWUXJDSUUWQO-HSZRJFAPSA-N 381.520 3.958 0 40 GHAB CCn1ncc(-c2cc(C(=O)N3CCCC[C@H]3CN3CCCCCC3)no2)c1C 19524038 SSAHAQWMQQDMLG-SFHVURJKSA-N 399.539 3.737 0 40 GHAB Cc1nnsc1C(=O)N[C@H]1CC(C)(C)Cc2c1cnn2Cc1ccccc1 19563609 IJKAFRINHNAXJU-INIZCTEOSA-N 381.505 3.535 0 40 GHAB Cn1c(CCCC(=O)N2CCC[C@@H](N3CCCC3)C2)nc2cc(Cl)ccc21 19714227 PSFMFFABHODOLQ-QGZVFWFLSA-N 388.943 3.636 0 40 GHAB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)o2)cc1 8477281 HPMLWHLEIWMGJK-LDADJPATSA-N 392.411 3.554 0 40 GHAB CCCOc1ccc(CC(=O)N2CCC[C@H]3NC[C@H](c4ccc(F)cc4)[C@H]32)cc1 19503869 KUVCQEPKCJHSBL-CQOQZXRMSA-N 396.506 3.904 0 40 GHAB CN1CCN(Cc2ccccc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 19589648 XDDFXXBNAGMYRE-QHCPKHFHSA-N 385.511 3.882 0 40 GHAB O=C([C@@H]1CC=CCC1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888864401 FANWGIQACRRJNF-GOSISDBHSA-N 380.492 3.580 0 40 GHAB Cn1ccnc1SCc1cc(=O)c(OC(=O)c2cccc(Cl)c2)co1 4251346 YLNLIYNNCFDQGY-UHFFFAOYSA-N 376.821 3.538 0 40 GHAB Cc1ccc(CNC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)cc1 5304336 DZMRQHHSTOSJBX-UHFFFAOYSA-N 383.451 3.683 0 40 GHAB O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NC1CC1)c1ccc(Cl)cc1 9073505 QHAFURIUZTYEMY-CYBMUJFWSA-N 375.881 3.747 0 40 GHAB Cc1ccccc1NC(=S)N[C@H](C)[C@H](c1ccccc1)N1CCN(C)CC1 22928322 UIIRGULKCJQLCM-WIYYLYMNSA-N 382.577 3.659 0 40 GHAB Cc1cc(C)c(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)cc1C 585148205 QWIFONJIWQRITF-LJQANCHMSA-N 385.485 3.884 0 40 GHAB COC(=O)[C@@H](NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(C)(C)C 299817287 RFCDVEHNYDVCMU-LJQANCHMSA-N 397.450 3.541 0 40 GHAB in-vitro NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)CC2CCCC2)s1 12442828 OLBXUMDLPBZREL-UHFFFAOYSA-N 375.519 3.906 0 40 GHAB CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCCCC4)cc(Cl)c1c23 35686198 VCZFKKCXCNVJFJ-UHFFFAOYSA-N 378.881 3.648 0 40 GHAB O=S(=O)(NCc1ccsc1-n1cccc1)c1ccccc1Br 40155794 VPYGGBSUFYKGTP-UHFFFAOYSA-N 397.319 3.780 0 40 GHAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 21063699 QLLVNOBQMQLRMN-ZIAGYGMSSA-N 389.927 3.814 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cc(C)c1Cl 41014624 RUAZLHMGMPPGGD-ZDUSSCGKSA-N 388.851 3.718 0 40 GHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[C@H]1CCCc2ccccc21 2658880 KENZABKKYFTICS-SFHVURJKSA-N 392.480 3.542 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc(Br)s2)c1C 2616804 BXEFVXJBZYYDMC-UHFFFAOYSA-N 384.251 3.698 0 40 GHAB CCc1ccccc1NC(=S)N(CCO)Cc1cc2ccc(C)cc2[nH]c1=O 894888 QSRVMQPQEYXUDK-UHFFFAOYSA-N 395.528 3.590 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)NC1CCCC1 905201 SLRPCQSINCWLJP-UHFFFAOYSA-N 393.516 3.539 0 40 GHAB Cc1ccc(OCCCC(=O)OCCCN2C(=O)c3ccccc3C2=O)c(C)c1 1914163 NRROOPJBLMPWCJ-UHFFFAOYSA-N 395.455 3.692 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 2453517 QNGCHHPQUIAIOO-UHFFFAOYSA-N 388.880 3.875 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(Cl)cc1Cl 32929765 BMRZQOWQZVYJTC-TXEJJXNPSA-N 378.321 3.698 0 40 GHAB CCCCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)OC(C)C 4161362 XKKMWFSDMBWSHJ-UHFFFAOYSA-N 380.489 3.873 0 40 GHAB CCCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cccnc1 4161410 XOPLWUWMFSXTOC-UHFFFAOYSA-N 397.504 3.880 0 40 GHAB COc1ccc(-c2ccnc(SCC(=O)c3ccc4c(c3)OCO4)n2)cc1 12249812 WGTATYWNUZGWLB-UHFFFAOYSA-N 380.425 3.856 0 40 GHAB Cc1sc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c(C(N)=O)c1C 102838788 MKNBUMSBPQANMU-UHFFFAOYSA-N 398.463 3.530 0 40 GHAB CCOc1cc(C(=S)N2CCCC2)ccc1OCC(=O)NCc1ccccc1 6960769 JYFDBMYORCVORT-UHFFFAOYSA-N 398.528 3.552 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 7928124 DAIIGOVGDANNAJ-ZDUSSCGKSA-N 388.851 3.657 0 40 GHAB Cc1ccc(-c2cc(C(F)F)nc(S[C@@H]3CC(=O)[C@H]4OC[C@H]3O4)n2)cc1 102998427 QJZHUDPDGNIUET-INMHGKMJSA-N 378.400 3.565 0 40 GHAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CCC(=O)O)cc1 8429661 OGUHXVVQMFTVEG-UHFFFAOYSA-N 377.444 3.671 0 40 GHAB Cc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c(C)c1 816817 WFNQWYMGJHBMJH-UHFFFAOYSA-N 386.517 3.558 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)Cc1ccc2c(c1)OCCO2 23789558 BUCXEQPUGOQUMW-UHFFFAOYSA-N 377.444 3.533 0 40 GHAB CCOc1cc2c(cc1CSCCC(=O)Nc1cc(C)on1)O[C@H](C)C2 24835174 PPYATHGJEDTHPZ-GFCCVEGCSA-N 376.478 3.967 0 40 GHAB CN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2ccc(Cl)cc2)=N1 57401724 ZMTVXGRVCUJNRM-UHFFFAOYSA-N 388.880 3.706 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 55405786 YXWHAUKPJBUSEA-UONOGXRCSA-N 392.906 3.823 0 40 GHAB CCc1ccc(S(=O)(=O)Nc2cccc(C)c2C(=O)N2CCCC2)s1 55593433 VLKUJEZVRRADFA-UHFFFAOYSA-N 378.519 3.656 0 40 GHAB CS[C@@H]1CC[C@H](N(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 107064538 FSDANPVQGVNPJO-QWHCGFSZSA-N 382.378 3.983 0 40 GHAB O=C(Cc1cccc2ccccc12)NC[C@@H](c1ccsc1)N1CCOCC1 22765910 BXMQVWIYKDUBHA-NRFANRHFSA-N 380.513 3.634 0 40 GHAB COc1ccc(-c2cs/c(=N\c3cccc(C)c3)n2N2CCN(C)CC2)cc1 28114398 ZPDPKMVNODCMLE-FCQUAONHSA-N 394.544 3.649 0 40 GHAB CCOC(=O)c1c(C)oc2nc(CN(C)Cc3ccccc3Cl)nc(O)c12 96316245 SKEQAKBESCTTBJ-UHFFFAOYSA-N 389.839 3.699 0 40 GHAB COc1ccc(OCC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 3306405 NJIHVLSCJJMIKV-UHFFFAOYSA-N 382.441 3.540 0 40 GHAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1cc(F)c(N2CCCC2)c(F)c1 58369523 IWJLYBLDNMTNKD-UHFFFAOYSA-N 382.414 3.932 0 40 GHAB Cc1oc(CO)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(SC(F)F)cc1 10725461 BBCORYCAAMCXSW-JTQLQIEISA-N 385.388 3.579 0 40 GHAB CCn1ncc2c(C(=O)NCc3ccc(OC)nc3)cc(-c3cccs3)nc21 10991830 WCSXJWVFJNUJGH-UHFFFAOYSA-N 393.472 3.513 0 40 GHAB COc1ccc(OC)c2c1CN(Cc1c(Cl)ccc3cccnc13)C[C@H]2O 48367930 HOXSCIYFTZHONB-QGZVFWFLSA-N 384.863 3.955 0 40 GHAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccccc2OC(F)F)C1=O 11009935 MFHKTCRZLAFKDO-GOSISDBHSA-N 382.313 3.533 0 40 GHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 36661706 ZGVRWUHHWGRRTH-HNNXBMFYSA-N 386.879 3.660 0 40 GHAB O=C(OCC(=O)N1CCCC1)c1cccnc1Sc1ccc(Cl)cc1 3486681 AANCOBPICGPDFI-UHFFFAOYSA-N 376.865 3.665 0 40 GHAB COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)ccc1O 8738239 YPEWRPKZWXTFJK-FQEVSTJZSA-N 393.443 3.991 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)c(OC)c1 20493493 IVAYDBZVYIVGQR-LBPRGKRZSA-N 377.462 3.840 0 40 GHAB COc1cccc(NC(=O)CSc2nnnn2-c2ccc(C(C)C)cc2)c1 5016160 HCXDMYSDJDFUFF-UHFFFAOYSA-N 383.477 3.525 0 40 GHAB C[C@@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 65123510 BVLHYWXTAYAPJV-SECBINFHSA-N 385.317 3.632 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1OC 6204771 QWNPPRUIWLKFQF-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB O=C(Nc1cccc(F)c1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 5321814 KISNILLNLQFIDA-UHFFFAOYSA-N 379.435 3.981 0 40 GHAB Cc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1NC(=O)c1ccco1 14188355 VNOAZJRDWVHGGE-HXUWFJFHSA-N 391.471 3.873 0 40 GHAB CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cccc(C)c1 4741675 RRARODBQECJOBI-UHFFFAOYSA-N 377.473 3.802 0 40 GHAB C[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc(F)c(F)c1 9049908 XVQFQWSPVIKKPG-JTQLQIEISA-N 391.399 3.687 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1NC(C)=O 4813768 GBBBSVUDPKHZCW-UHFFFAOYSA-N 382.869 3.806 0 40 GHAB Cc1cccc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2cccs2)c1 306133693 MSWGGYWXTQSPKU-SFTDATJTSA-N 377.513 3.940 0 40 GHAB Cn1cc(CNC[C@H](O)c2ccc(F)cc2F)c(-c2cc3ccccc3o2)n1 67185839 CVVUQQKAJBSLGR-SFHVURJKSA-N 383.398 3.935 0 40 GHAB CCN(CCCNS(=O)(=O)c1ccccc1Br)c1ccccc1 15364903 FKEAKQKEOIJAIH-UHFFFAOYSA-N 397.338 3.644 0 40 GHAB CCOC(=O)Cn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 7542957 WLYLGBUBZDWPSN-AWEZNQCLSA-N 397.862 3.773 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H]2CCSc3ccccc32)c1 7988515 AYFKCHXHDAIAGV-GOSISDBHSA-N 383.473 3.570 0 40 GHAB O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)Nc1ccc(F)c(Cl)c1 9321042 GISRGJKNNWCWSJ-UHFFFAOYSA-N 396.809 3.594 0 40 GHAB Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 8120871 IIDFBHPAPCEWNG-UHFFFAOYSA-N 381.407 3.645 0 40 GHAB CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(OC)c(OC)c2)C12CCCCC2 72306086 BCKLWVAOCHTANI-RTBURBONSA-N 376.497 3.631 0 40 GHAB O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)[C@@H]1CC=CCC1 96585754 RRJVUXHLOPKZQF-RGHBXIHOSA-N 390.892 3.849 0 40 GHAB COc1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1OC 72294154 PFKYISZJIJCRCO-KRWDZBQOSA-N 383.492 3.832 0 40 GHAB O=C(NCCOc1ccc(C(F)(F)F)cc1)[C@H]1CSc2ccccc2O1 84583020 RKGAVAJCHCLCIE-OAHLLOKOSA-N 383.391 3.754 0 40 GHAB Cc1nn(C)c(Oc2cccnc2)c1NC(=O)C[C@@H]1OCCc2ccsc21 95349675 XJVHIFORJUIIBL-HNNXBMFYSA-N 384.461 3.620 0 40 GHAB C[C@H](OC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)C(=O)c1ccc(F)cc1 95369370 MVOAWTGLGIHMDC-TVQRCGJNSA-N 381.812 3.848 0 40 GHAB NC(=O)NCc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 95381804 RBUGSPKEESLCIV-GJZGRUSLSA-N 377.366 3.616 0 40 GHAB COCc1c(C(=O)Nc2ccc(-c3nncn3C)cn2)sc2cccc(F)c12 95982319 JREJHMIJRYXSPH-UHFFFAOYSA-N 397.435 3.630 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3OC(C)C)CC2=O)cc1C 408706967 FYMDONGIFAONLO-LJQANCHMSA-N 380.488 3.760 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccccc1O 409411958 OJXKWOPDWCJYNB-UHFFFAOYSA-N 396.472 3.604 0 40 GHAB O=C(c1cccs1)N1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306143518 YELFQXXYQLPUMZ-KRWDZBQOSA-N 389.484 3.873 0 40 GHAB CCOc1cc([C@@H]2NC[C@@H](C(=O)O)S2)ccc1OCc1cccc(F)c1 408975915 CRRQZTGNGDNEME-ZWKOTPCHSA-N 377.437 3.592 0 40 GHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1 409157641 PYSYOXPSHXBHIK-GZTJUZNOSA-N 382.441 3.679 0 40 GHAB O=S(=O)(Nc1ccc(I)cc1Cl)c1ccccc1 32631640 VSQHFINNJMFTDZ-UHFFFAOYSA-N 393.633 3.745 0 40 GHAB O=C(NCCSCc1ccco1)c1ccccc1I 31252479 RCZKEFIOMXEALT-UHFFFAOYSA-N 387.242 3.547 0 40 GHAB Cc1nc2ccc(COC(=O)[C@@H](c3ccccc3)N3CCN(C)CC3)cc2s1 1530311475 KSMMSYBCIKJEHL-OAQYLSRUSA-N 395.528 3.637 0 40 GHAB CC(C)c1noc([C@@H]2C[C@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)CN2C)n1 30879550 SSXVGVRZFGGCPR-KBPBESRZSA-N 397.401 3.779 0 40 GHAB biogenic,in-vitro COc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1N1CCCCC1=O 38677704 NBFLPJROAKRWSF-UXBLZVDNSA-N 394.427 3.593 0 40 GHAB CC[C@H](NC(=O)c1ccccc1OC(C)C)c1ccc(S(C)(=O)=O)cc1 219745979 XXSZYGIKEKSDBL-SFHVURJKSA-N 375.490 3.758 0 40 GHAB Cc1ccc(-c2nsc(C(=O)N3CCN(c4ccccc4)CC3)c2N)cc1 62007069 MMHWZZWPBZZOBL-UHFFFAOYSA-N 378.501 3.663 0 40 GHAB COc1ccccc1C1(C(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)CC1 670479645 RHNHKGTXZHLZEM-IBGZPJMESA-N 377.440 3.837 0 40 GHAB COCC(=O)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359543 DSCPUUGSVQXJEM-CQSZACIVSA-N 379.382 3.515 0 40 GHAB O=C1c2ccccc2[C@@H]2N1c1cc(F)ccc1-c1nc(=O)c(-c3ccccc3)nn12 71922026 NYHONCTVZVLEOA-JOCHJYFZSA-N 396.381 3.632 0 40 GHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@@H](C)CCc3ccco3)c12 36616233 LYNKISWUDNRMMY-ZDUSSCGKSA-N 378.432 3.881 0 40 GHAB CC(C)CNc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)O 217584898 BPBXCWWMUFWWAZ-UHFFFAOYSA-N 380.510 3.622 0 40 GHAB COc1ccc(-c2nnc3sc(NC(=O)c4ccc(C)c(F)c4)nn23)cc1 41076481 PRZHJVJSFCVZKD-UHFFFAOYSA-N 383.408 3.561 0 40 GHAB CN1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)cc2Cl)CC1 226259240 RUZHQDGNGWDCJN-UHFFFAOYSA-N 379.291 3.580 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1Br 224876535 ZSYYAKZCEOVEJL-UHFFFAOYSA-N 390.686 3.936 0 40 GHAB O=C1CCCN1c1cccc(NC(=S)NCCSCc2ccco2)c1 225349092 UXHAFZXKEFFZQE-UHFFFAOYSA-N 375.519 3.626 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C 223018904 QYLYYHBDNGYDMG-RTWAWAEBSA-N 392.528 3.800 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220725978 DCTCFOAQPPIZJY-ZDUSSCGKSA-N 395.438 3.571 0 40 GHAB O=C(COc1ccc(Cl)cc1Br)NCCOCc1ccccc1 224246449 DQVKQRZIIOYGCC-UHFFFAOYSA-N 398.684 3.814 0 40 GHAB CC[C@](Br)([C@@H](O)c1ccc(Cl)cc1Cl)S(C)(=O)=O 96521563 CSDPTVHMQWBXNY-WDEREUQCSA-N 376.099 3.573 0 40 GHAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccnn2C)C1 257220678 DLRSOXUXVISPDO-OAHLLOKOSA-N 382.533 3.763 0 40 GHAB Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1 257244712 IMMGITVGLCRXPY-KRWDZBQOSA-N 398.470 3.743 0 40 GHAB O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618255561 SRTHUOIEZRMIQQ-OAHLLOKOSA-N 387.361 3.942 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 260593179 YGEQOKJBYCDESR-MSOLQXFVSA-N 388.533 3.644 0 40 GHAB O=C(CC(F)(F)F)NC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 627133016 IYZZYNKDRAREEM-CGTJXYLNSA-N 396.453 3.878 0 40 GHAB O=C(Nc1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCC(c2ncc[nH]2)CC1 654193849 DCWSJCAMWIPHRV-UHFFFAOYSA-N 394.454 3.635 0 40 GHAB CC1(C)CC[C@@H]2[C@@H](CCCN2CC2(O)CCN(c3ccccc3F)CC2)O1 585284023 GQJQRZQOIQRWKG-WOJBJXKFSA-N 376.516 3.579 0 40 GHAB Cc1nc(C)c(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccc(Cl)cc2)o1 72396987 HFZHFYFCOWUDDD-QGZVFWFLSA-N 384.867 3.997 0 40 GHAB CC[C@](C)(CO)NC(=O)Nc1cc(-c2nc3cc(F)ccc3n2C)ccc1C 95964380 ZYTOSWYGJJUTGH-OAQYLSRUSA-N 384.455 3.970 0 40 GHAB CC[C@@H](C(=O)Nc1ccc2c(c1)n(CC)c(=O)n2CC)n1cnc2ccccc21 12148441 DBVMKTFYPHPNML-KRWDZBQOSA-N 391.475 3.782 0 40 GHAB O[C@H]1CC2(CCN(C[C@H](O)c3ccc(F)cc3)CC2)Oc2ccc(Cl)cc21 12292722 PCXVPJDVCBCGEO-OALUTQOASA-N 391.870 3.863 0 40 GHAB CCC(CC)NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12607868 HMJYMSSGGOIVAY-UHFFFAOYSA-N 397.928 3.740 0 40 GHAB CC1CCN(CCCNC(=O)CSCc2ccccc2Br)CC1 13671995 YODXEQBNPGIHSJ-UHFFFAOYSA-N 399.398 3.921 0 40 GHAB COC(=O)Cc1ccc(OC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 15356355 AKVUJOFKBIPGLA-UHFFFAOYSA-N 376.412 3.684 0 40 GHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(CS(C)(=O)=O)c1 16180411 UDUYWNMHCZNVDL-UHFFFAOYSA-N 375.534 3.520 0 40 GHAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)CCn3ccnc3)C2)n1 19117684 NXAHJCSUBYJXLF-MRXNPFEDSA-N 381.505 3.506 0 40 GHAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1nnc(-c2cccs2)o1 19344850 WUGJUHHRIIKOPE-CYBMUJFWSA-N 397.428 3.602 0 40 GHAB COc1ccc(CN2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)cc1OC 19561125 VYKDNINWIFKDPW-QFIPXVFZSA-N 382.435 3.965 0 40 GHAB COc1cccc(OC)c1OCC(=O)Nc1nc(-c2ccccc2F)cs1 19568237 YVOIIIWORWTTFS-UHFFFAOYSA-N 388.420 3.984 0 40 GHAB Cc1nc([C@@H]2CCCN2C(=O)C[C@H]2C=CCC2)[nH]c(=O)c1Cc1ccccc1 19579194 BWJXRTSGRFDDKW-ICSRJNTNSA-N 377.488 3.689 0 40 GHAB COc1cc(OC)c(C(=O)N2CC[C@@H](c3cc4ccccc4cn3)C2)cc1OC 19594942 SVQJMIBWRMZDLB-QGZVFWFLSA-N 392.455 3.890 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)ccc21 19936774 KXTHLOPTBCCJLQ-UHFFFAOYSA-N 387.244 3.722 0 40 GHAB COc1c(C)cccc1CN1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12337995 GHOXGQJXIGOBME-UHFFFAOYSA-N 380.448 3.534 0 40 GHAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](n2cnc3ccccc32)C1 575617848 RSPQDPSNXZWCJQ-LPHOPBHVSA-N 398.507 3.599 0 40 GHAB CCSc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2)s1 2723012 BQSDVILHDHVVLP-UHFFFAOYSA-N 391.547 3.875 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@@H]1c1ccccc1F 4854303 XCNVIZJDOXTSAU-FQEVSTJZSA-N 379.391 3.993 0 40 GHAB Cc1cccc(CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1 8840892 BPHKHSSKIBWIGA-UHFFFAOYSA-N 386.517 3.872 0 40 GHAB CSc1nc2ccc(NC(=O)CS(=O)(=O)Cc3ccccc3)cc2s1 10618904 ZPUMEJQVCBEFGA-UHFFFAOYSA-N 392.527 3.572 0 40 GHAB Cc1ccc(NC(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1 11694507 NCXFTYVMZMWHRK-UHFFFAOYSA-N 389.459 3.933 0 40 GHAB CCCCc1ccc(NC(=O)Cn2ccn(-c3ccc(OC)cc3)c2=O)cc1 15862425 OLSWXUQZOZYAEG-UHFFFAOYSA-N 379.460 3.629 0 40 GHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc21 17248190 ZHBAYUYWUSIIKU-UHFFFAOYSA-N 384.910 3.892 0 40 GHAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2ccc(Cl)cc2)C1 2055750798 ZDPPTLWVRLFTIT-NRFANRHFSA-N 385.895 3.515 0 40 GHAB Cc1ccc(-n2c(Br)nnc2SCC(=O)O)c2ccccc12 167308529 PDCLZQFKIFSJBP-UHFFFAOYSA-N 378.251 3.668 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1ccc(-c2ccco2)s1 1775969010 SBBMCJLMMZXNPX-CYBMUJFWSA-N 397.905 3.982 0 40 GHAB CCn1nc(C)c(S(=O)(=O)N2CCS[C@@H](c3ccccc3F)CC2)c1C 219166138 JUBSEBQKZGSQOU-QGZVFWFLSA-N 397.541 3.528 0 40 GHAB COc1ccc(CNC(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1OC 42381168 ORMZIONTONJMNL-UHFFFAOYSA-N 382.420 3.692 0 40 GHAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)Cc3cccc4ccccc34)C2)n1 585147347 SQAABGLJTHQHSM-FQEVSTJZSA-N 375.472 3.859 0 40 GHAB O=C(Cc1ccc(F)cc1Cl)N1CCC(c2nnc3n2CCCCC3)CC1 19293052 UWHWVTXXGIKOAW-UHFFFAOYSA-N 390.890 3.746 0 40 GHAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1ncc(-c2cccc(Cl)c2)o1 28186458 YYRUXIJCKXBOJS-OAQYLSRUSA-N 393.830 3.889 0 40 GHAB CC(C)c1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c(C(C)C)c1 40104928 MWQGHJJVAPCXCK-HXUWFJFHSA-N 387.524 3.789 0 40 GHAB CCC(=O)Nc1cccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 40059888 WMQKGLBVJQYUQW-FQEVSTJZSA-N 377.444 3.938 0 40 GHAB O=C1COc2ccccc2N1CCC(=O)N1CCSc2ccc(Cl)cc21 40071147 YAGUDTGGEGVIGK-UHFFFAOYSA-N 388.876 3.594 0 40 GHAB O=C(Nc1cccc(F)c1)[C@H]1CC(=O)N(c2ccccc2Br)C1 32795983 ZXSFBPSSLHSEOD-NSHDSACASA-N 377.213 3.580 0 40 GHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1c2c(nc3ccccc13)CCC2 32888542 BQNWVFJAIWESRY-UHFFFAOYSA-N 396.454 3.964 0 40 GHAB COCCn1c(SCC(=O)Nc2ccc(Br)cc2)nc(C)c1C 32893843 JBEKSNKZHNUSAC-UHFFFAOYSA-N 398.326 3.640 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccncc1 17585805 VFKAGMBPQLAORC-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB Cc1ccccc1NC(=O)CSc1nnc(COc2ccccc2C)n1C 903583 MTBJNQCELVDRGA-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB CN1CCC(N(Cc2ccccc2)C(=O)c2cc(=O)c3ccccc3o2)CC1 79019210 CDCFDVVJPGOYMF-UHFFFAOYSA-N 376.456 3.530 0 40 GHAB O=c1nc(O)c2c([nH]1)N=C1C(=C(O)c3ccccc31)[C@@H]2c1ccc(Cl)cc1 102646763 PYNOYXDKQUMTOR-ZDUSSCGKSA-N 377.787 3.678 0 40 GHAB Cc1ccc(C(=O)O)cc1NC(=O)[C@@H](C)Cn1nc(C)c(Br)c1C 2794619 ZIJTVOIYDHETTD-JTQLQIEISA-N 394.269 3.544 0 40 GHAB CN1C(=O)N(C)[C@@]2(c3ccccc3)NC(=O)N(C(C)(C)C)[C@]12c1ccccc1 4765411 WATLGMXWCKXWAM-YADHBBJMSA-N 378.476 3.513 0 40 GHAB O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)C(F)(F)F)C1CC1 4861431 XPALCFSRYBRPIB-MRXNPFEDSA-N 386.389 3.869 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)c1cc(Br)ccc1Cl 6941892 WAFSSCLLMWOASO-LLVKDONJSA-N 382.641 3.672 0 40 GHAB O=C(CCc1ccc(-c2ccccc2)o1)OCc1cc(=O)n2ccsc2n1 7293274 XBQOOMISPRMMAX-UHFFFAOYSA-N 380.425 3.692 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N[C@@H]3CCCC[C@H]3C)o2)cc1 10045156 ZUQCESDBUOFYDX-SJLPKXTDSA-N 384.476 3.821 0 40 GHAB O=C(COC(=O)CCC(=O)Nc1ccccc1Cl)Nc1ccc(Cl)cc1 8413721 QKRFPHLELBOPJO-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB Cn1ncc(Br)c1CNC(=O)C12CC3C[C@](C)(C1)C[C@](C)(C3)C2 102620483 YCZVCIFVIUQLIW-ZAXHRSJFSA-N 380.330 3.795 0 40 GHAB COC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc12 2796770 YJJIKZJYQFNDCH-UHFFFAOYSA-N 387.264 3.803 0 40 GHAB CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CS[C@H]1c1ccc(Br)cc1 819032 QBUDEWVBCXLTHP-NEPJUHHUSA-N 388.283 3.885 0 40 GHAB Fc1ccc(Nc2nc(NCc3ccc4c(c3)OCO4)nc3[nH]ncc23)cc1 23135903 ADKRIOVIQKVWQR-UHFFFAOYSA-N 378.367 3.576 0 40 GHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NC[C@H]1CCCO1 42864417 KQDCAGMUSHMYGJ-OXQOHEQNSA-N 381.476 3.820 0 40 GHAB CSCc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1 24258099 ABNUTUPWMPUUMM-NRFANRHFSA-N 384.545 3.661 0 40 GHAB O=C1NC2(CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)Nc2ccccc21 57731560 MPHRUVDRDMSBJG-UHFFFAOYSA-N 389.499 3.673 0 40 GHAB CC(C)CCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc21 12525460 RABXOXKODLBDFK-UHFFFAOYSA-N 396.516 3.912 0 40 GHAB O=C(NCCSCc1ccccc1)Nc1ccc(-c2nnnn2C2CC2)cc1 44016613 RJPGQQAWRZKVPP-UHFFFAOYSA-N 394.504 3.730 0 40 GHAB Cc1cc(C(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)c(C)n1C1CC1 57289883 AXEJBOQHMZMUSV-UHFFFAOYSA-N 379.504 3.973 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@H](c4ccco4)[C@@H]3C2=O)cc1 100799321 GNDIHGXIRKDVMJ-HBMCJLEFSA-N 388.423 3.948 0 40 GHAB CCOc1ccc(CCC(=O)NCc2ccccc2-n2ccnc2)cc1OCC 22519827 HSDPFOUQSLZIBM-UHFFFAOYSA-N 393.487 3.919 0 40 GHAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1cccnc1 27921449 FPHFLNGQPMJXCY-UHFFFAOYSA-N 385.265 3.958 0 40 GHAB CN(CC(=O)Oc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 3291982 BEKUICXNRFEYJK-UHFFFAOYSA-N 395.908 3.864 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2c(C)nn(-c3ccccc3)c2C)c1C 58169410 RKFYRROAZPDROX-UHFFFAOYSA-N 392.503 3.951 0 40 GHAB COc1ccc(CNc2nccn(-c3cc(C)c(Cl)cc3OC)c2=O)cc1 10273234 NPXURSMRGAZABX-UHFFFAOYSA-N 385.851 3.824 0 40 GHAB O[C@H](CN1CCN(Cc2csc(-c3ccsc3)n2)CC1)c1ccccc1 22547864 YBZHQBXPFWUNKB-LJQANCHMSA-N 385.558 3.723 0 40 GHAB CC1=C[C@@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N2c2ccccc21 102801640 URWWPGYCVYYYMF-YRXWBPOGSA-N 394.515 3.676 0 40 GHAB CCCOc1ccc([C@@H]2[C@@H](C(=O)OCC)C(=O)Nc3nc4ccccc4n32)cc1 20637536 IWKQBOMUVDNOIC-RTBURBONSA-N 393.443 3.546 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 11001507 MJFJIYWJWJWBDJ-HGZMWJMZSA-N 394.471 3.594 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 12746366 ZRRNAFAUSAENFD-GJZGRUSLSA-N 393.409 3.909 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1 409183476 STMPMKCIZPGVKP-UHFFFAOYSA-N 393.395 3.953 0 40 GHAB C[C@@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccc(F)cc1 3467631 WCIPZBBPIPSBRX-SECBINFHSA-N 376.737 3.537 0 40 GHAB COc1ccc(CC(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 12935140 LXUCJLQAVZPTAK-UHFFFAOYSA-N 383.444 3.648 0 40 GHAB Cc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc4c(c3)OCCCO4)ccc12 19183254 PPQXBMGSWJFTHX-UHFFFAOYSA-N 395.411 3.589 0 40 GHAB biogenic COC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2F)sc2c1CCCC2 6454384 KQZNJDYSELQBFF-NSHDSACASA-N 377.437 3.959 0 40 GHAB Cc1cccc(-c2nc(CC(=O)N(C)CC(=O)Nc3cccc(F)c3)cs2)c1 14246913 FWAUOWBDVPLHOU-UHFFFAOYSA-N 397.475 3.897 0 40 GHAB O=C(NCCc1ccccc1)c1ccc(Cl)c(NC(=O)c2ccncc2)c1 4659868 SSTMBCHTEGKKCI-UHFFFAOYSA-N 379.847 3.960 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1c(F)cccc1Cl 14634321 STMFCDRTPMYLLJ-MDZDMXLPSA-N 396.871 3.690 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccccc1C(F)(F)F 14865245 ZEFQSDATQSVUCA-UHFFFAOYSA-N 382.357 3.623 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n[nH]c1=O 6888243 BHSZFPPIIQAJHP-UHFFFAOYSA-N 384.461 3.505 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2N2CCOCC2)c(C)c1C 6912057 IXTKNOBKPGOCMI-UHFFFAOYSA-N 388.533 3.866 0 40 GHAB Cc1cc2nc(SCC(=O)Nc3cccc(F)c3)n(CC(C)C)c(=O)c2[nH]1 67237802 NTAYVMPXJZWRTB-UHFFFAOYSA-N 388.468 3.559 0 40 GHAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(F)cc2)nc2cc(C)[nH]c2c1=O 67238831 LKHWVDKPZWCFQQ-LBPRGKRZSA-N 388.468 3.874 0 40 GHAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 7124911 CVZFVDGWRKXGIL-OAQYLSRUSA-N 399.878 3.698 0 40 GHAB CCCC(=O)Nc1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(C(C)=O)c1 9155826 AWIDUCGONOLSPJ-OAHLLOKOSA-N 382.460 3.884 0 40 GHAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)NC12CC3CC(CC(C3)C1)C2 7577586 AQAAHHXZBSLLGV-VALILCMLSA-N 378.567 3.678 0 40 GHAB CCC(CC)NC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)C 7779372 BERFLAFMYPCTQR-OAHLLOKOSA-N 395.352 3.601 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N3CCc4ccccc43)o2)cc1 7871068 QNKUMLLAHVYQID-UHFFFAOYSA-N 381.457 3.638 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CCn3ccc4ccccc43)CC2)cc1 8170433 AHXFKSWNRZZMDU-UHFFFAOYSA-N 375.472 3.583 0 40 GHAB O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCC[C@@H]1c1ccc[nH]1 84338982 DVJZOLWRUJITSO-GDBMZVCRSA-N 375.881 3.835 0 40 GHAB O=C(Nc1ccc(-n2cc(Br)cn2)nc1)c1c(F)cccc1F 72401653 FLKHGKPLMUAYGY-UHFFFAOYSA-N 379.164 3.560 0 40 GHAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)C1CCN(C(=O)c2ccco2)CC1 72277349 NMBFCKREFUEYSZ-UHFFFAOYSA-N 396.472 3.619 0 40 GHAB CC[C@H](Nc1ccccc1)C(=O)OCC(=O)NCCc1c(C)cc(C)cc1C 84718773 UTNPNHAHWOXUPN-NRFANRHFSA-N 382.504 3.704 0 40 GHAB CC1(C)C[C@@]2(NC(=O)N(Cc3c(Cl)ccc4cccnc34)C2=O)C(C)(C)O1 95419332 UDZYQLWUTWUAAW-FQEVSTJZSA-N 387.867 3.656 0 40 GHAB COc1ccc(SCCC(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1 9905997 HRRUPCYYCZUXQX-UHFFFAOYSA-N 399.516 3.515 0 40 GHAB COc1ccc(CCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OC 22515281 SNLMXCFWSQLIKP-UHFFFAOYSA-N 396.531 3.908 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(-c3ccco3)o2)c1 408528124 RTDAPTZQSPTYAG-UHFFFAOYSA-N 393.808 3.500 0 40 GHAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1=O 408642115 NUNYBDSEEZAGTP-QGZVFWFLSA-N 380.444 3.552 0 40 GHAB Cc1ccsc1C(=O)N1CC[C@@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306132846 LUDGDMBUUZBRJC-OAQYLSRUSA-N 397.475 3.874 0 40 GHAB COCCCN1C(=O)S/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C1=O 409243241 QYPVLELSSLFCIY-NBVRZTHBSA-N 385.489 3.616 0 40 GHAB CCOC(=O)c1c(NC(=O)CN(C)Cc2ccco2)sc2c1CC[C@@H](C)C2 30276136 WVSMUXRMWVCQIS-CYBMUJFWSA-N 390.505 3.713 0 40 GHAB CCCCNS(=O)(=O)c1ccc(NCCC2=CCCCC2)c(C(=O)O)c1 217549730 YQJWMGCCRZOFBH-UHFFFAOYSA-N 380.510 3.766 0 40 GHAB Brc1ccc(Nc2nc(N3CCCCC3)c3nccnc3n2)cc1 32074014 KZQGPUGNQOTBAJ-UHFFFAOYSA-N 385.269 3.916 0 40 GHAB Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[C@@H](O)c1ccccc1 72224703 NPAATUXYYCMXIC-FQEVSTJZSA-N 383.492 3.529 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(C)c3C)n2)c1 219311872 JTWGAMLUJHTNFB-INIZCTEOSA-N 395.459 3.788 0 40 GHAB NCc1cccc([C@H](C(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)c1 71791528 SIRNVMWQPXZOLL-JOCHJYFZSA-N 387.435 3.669 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)c2ncccc12)N1CC[C@@H](n2cccn2)C1 562289438 ZMTVMPXJAHRHPM-QGZVFWFLSA-N 390.491 3.901 0 40 GHAB Cc1nonc1CC(=O)N1CCC(CCc2ccccc2C(F)(F)F)CC1 72389766 VTKMLHQJMBMQIL-UHFFFAOYSA-N 381.398 3.811 0 40 GHAB Cc1ccc2c(NC(=O)C3CN(C(=O)c4ccc(F)c(F)c4)C3)cccc2n1 70655764 UYTOGHLGDRSMKX-UHFFFAOYSA-N 381.382 3.532 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)ccc1Cl 224936070 SIQHJRMQMKAVJT-UHFFFAOYSA-N 394.880 3.528 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 44844980 MZLORAJYSASRDS-LJQANCHMSA-N 399.443 3.673 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCCN2CCC[C@@H](C)C2)c1C 225737183 ZKSDQEOCVRZOPX-OAHLLOKOSA-N 377.554 3.580 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)NCc1cccc(CN2CCCCC2)c1 224672317 QGRJLSROWYRNNE-UHFFFAOYSA-N 392.952 3.946 0 40 GHAB COc1ccc(NCc2nn(Cc3ccc(Cl)cc3Cl)c(=O)[nH]2)cc1 40288129 PELBKAMJLLIXSZ-UHFFFAOYSA-N 379.247 3.547 0 40 GHAB COc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1OC 225043821 MLWNZHMSENYYOY-UHFFFAOYSA-N 390.439 3.886 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1NC(=O)C(C)C 222907954 ZVOYHPDVXFVYMT-UHFFFAOYSA-N 382.482 3.943 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 225839291 JNZYAWPNTJIPJD-LVUUDHQCSA-N 396.512 3.832 0 40 GHAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 223887674 KGPYYYZVJQMLKA-FOIQADDNSA-N 389.517 3.687 0 40 GHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 223247927 QFTGXYWVLQSDAO-NHCUHLMSSA-N 397.592 3.922 0 40 GHAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 224571662 HCFNXULIRVATBM-LJQANCHMSA-N 396.531 3.726 0 40 GHAB Cn1ccnc1[C@@H](NS(=O)(=O)c1csc2ccc(Cl)cc12)C1CC1 585081696 JGHNHNUBLCZUPL-HNNXBMFYSA-N 381.910 3.718 0 40 GHAB Cc1cnc(CN2CCC(c3cc(-c4c(C)noc4C)nc(C)n3)CC2)cn1 257323850 WMBQBKGHWNYVEN-UHFFFAOYSA-N 378.480 3.535 0 40 GHAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](Cc2cc(-c3ncc[nH]3)ncn2)C1 257305628 SQVHEYCPAWACQF-MRXNPFEDSA-N 398.470 3.510 0 40 GHAB COc1cc(C)ccc1CN1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1 257226489 FKUDTMXCKPHJFY-FQEVSTJZSA-N 391.475 3.506 0 40 GHAB Cc1ccc(C)n1-n1c(CN2CCCC[C@H]2C)nnc1CN1CCCC[C@H]1C 260572050 GOIHVKYYGGDWPC-QZTJIDSGSA-N 384.572 3.757 0 40 GHAB O=C(N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1)c1ccc(C(F)F)cc1F 616796342 WUVAHOOIJKGTQW-NVXWUHKLSA-N 379.382 3.630 0 40 GHAB Cc1cc(C(=O)Nc2nc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)co2)no1 96024358 QZHUEIFYYPHLKC-UHFFFAOYSA-N 398.272 3.634 0 40 GHAB Cc1cc(C)cc(C(=O)N2CC[C@]3(CCC[C@H]3C(=O)N[C@H]3CCC3(F)F)C2)c1 585107362 UBFDXFORVQFUCR-BBTUJRGHSA-N 390.474 3.850 0 40 GHAB COc1cncc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2cc[nH]c2)c1 585105690 CXCOAQZSDUEQRN-UHFFFAOYSA-N 389.455 3.794 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC3(CC2)Nc2cccnc2-n2cccc23)s1 72342960 LKNDGOBEDLKGTL-UHFFFAOYSA-N 379.489 3.503 0 40 GHAB CC(C)c1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 5429349 XZEXWPOUTNSGSL-OAQYLSRUSA-N 375.472 3.756 0 40 GHAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1 5443317 PCPBOQMHDAXSPD-KJWXAFIESA-N 377.440 3.655 0 40 GHAB O=C1[C@@H]2C[C@@H](CN2Cc2cccn2-c2nccs2)N1c1cccc(Cl)c1 12123694 JNAPQOUZVVLCQT-IRXDYDNUSA-N 384.892 3.577 0 40 GHAB Cc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1C(=O)NC1CCCC1 13040720 PDTLPNPLIPBKKO-KRWDZBQOSA-N 379.504 3.957 0 40 GHAB O=S(=O)(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1 16098906 KDTMBTGZKAMZOB-UHFFFAOYSA-N 381.295 3.850 0 40 GHAB O=C1c2ccccc2C(=O)N1c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 17078381 CKEOYSZFHYZUCX-UHFFFAOYSA-N 383.618 3.796 0 40 GHAB CCn1cc([C@@H](NC(=O)c2cnccn2)c2ccc(F)cc2)c2ccncc21 19524847 CZEZZGJTGCKINA-FQEVSTJZSA-N 375.407 3.505 0 40 GHAB CCOc1ccc([C@@H](C)N(C)C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 19532624 YZEBCOOYVHBJHJ-WBVHZDCISA-N 384.451 3.797 0 40 GHAB Cc1ccc([C@@]2(O)CCN(C(=O)c3cc(-n4cccn4)ccc3Cl)C2)cc1 19715182 HNBQTBQXKZQVMC-OAQYLSRUSA-N 381.863 3.568 0 40 GHAB Cn1nc(C(=O)NCc2nnc(-c3ccccc3)o2)cc1-c1ccc(Cl)cc1 19717176 URZSTAXENTUTDD-UHFFFAOYSA-N 393.834 3.721 0 40 GHAB O=C(NCC[C@H]1CCCCN1C(=O)c1ccc2nsnc2c1)c1ccccc1 19748935 TVNNMAWEPDRXJT-QGZVFWFLSA-N 394.500 3.506 0 40 GHAB O=C(Cc1ccc(-n2cccn2)cc1)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 558600870 WLDWVFOIBAYUCZ-QFIPXVFZSA-N 395.890 3.586 0 40 GHAB CC(C)SCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 24675893 VVKBDAVPRTYJKO-UHFFFAOYSA-N 392.546 3.587 0 40 GHAB CCSc1ccccc1C(=O)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 5240830 WNBZEOVWWKAIEK-UHFFFAOYSA-N 383.429 3.872 0 40 GHAB CCCCN1C(=O)CCc2cc(NC(=O)COc3ccccc3OC)ccc21 9137334 QPIKMYOWHOLPPH-UHFFFAOYSA-N 382.460 3.792 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1c(C)nc2ccc(Cl)cn2c1=O 9617056 BMZORZZTNYVPBU-UHFFFAOYSA-N 378.215 3.571 0 40 GHAB CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc(Cl)cc2)CC1 22460223 WQQYLQYIMKCFSM-KXBFYZLASA-N 391.968 3.899 0 40 GHAB Cc1ccc(-c2nsc3c(=O)n(CC(=O)Nc4cccc(C)c4)cnc23)cc1 33300042 QTSJNQFJZOROAL-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB CSc1ccc(/C=C/C(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)cc1 575613291 RGHTWWOTHDSVSE-SRLUVNLFSA-N 397.540 3.852 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 13011923 RJBPCOKLVPYLMC-INIZCTEOSA-N 381.476 3.817 0 40 GHAB Cc1ccc(C)c(-n2ccnc2SCc2cc(=O)n3nc(C)sc3n2)c1 40119307 PASVRMHSOHYZFJ-UHFFFAOYSA-N 383.502 3.554 0 40 GHAB Cc1cccc(C)c1OCCNC(=O)C1CCN(c2ccc(Cl)cn2)CC1 40113796 QVZIMUOTKHTRRT-UHFFFAOYSA-N 387.911 3.763 0 40 GHAB Cc1nc(-c2ncccn2)sc1C(=O)OCc1csc(-c2ccccn2)n1 51834510 ZHHPPXQZHRXZPG-UHFFFAOYSA-N 395.469 3.784 0 40 GHAB COC(=O)c1ccoc1COC(=O)c1ccccc1NC(=O)Cc1ccccc1 32895978 HPNGBGQVEZZDOJ-UHFFFAOYSA-N 393.395 3.604 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C 779185 DNCUFHLWDPJGKN-UHFFFAOYSA-N 382.489 3.535 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 877780 PGEUSQGVGRWDPE-UHFFFAOYSA-N 382.489 3.764 0 40 GHAB COc1cc(CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(OC)c1OC 1667681 KRLBABFXYRQTLR-UHFFFAOYSA-N 396.480 3.555 0 40 GHAB COc1cccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)c1 4169665 MOXQATZCZDFQPB-UHFFFAOYSA-N 389.408 3.527 0 40 GHAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1csc2c1CCCC2 21919120 IUWVTJRBWHCWAR-IBGZPJMESA-N 388.508 3.569 0 40 GHAB Cc1ccc2[nH]c3c(SCC(=O)NCc4ccc(F)cc4)ncnc3c2c1 33172546 ZCRRGRJIHGUHEK-UHFFFAOYSA-N 380.448 3.967 0 40 GHAB O=C(COc1ccc(-c2ccccc2)cc1)NC[C@@H]1COc2ccccc2O1 6881213 FBFHDYNTYPMWMN-HXUWFJFHSA-N 375.424 3.689 0 40 GHAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)c1 8414989 QHEIGYJSJQTWOJ-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB O=C(Nc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1)c1ccco1 22411519 KGEPATAYBNKOCQ-UHFFFAOYSA-N 378.356 3.611 0 40 GHAB COc1cc(NC(=O)NCc2ccccc2CN(C)C)c(OC)cc1Cl 53997198 GLBDUFARDXALSZ-UHFFFAOYSA-N 377.872 3.741 0 40 GHAB CCOc1ccc(-c2nsc(NC(=O)COc3cccc(C)c3)n2)cc1OC 28286725 PIZWJKOWFQQXLB-UHFFFAOYSA-N 399.472 3.938 0 40 GHAB Cc1ccc(=O)n([C@@H](C(=O)N[C@@H](C)c2ccccc2)C(=O)c2ccc(F)cc2)c1 819550 OIFOIKKGNJJSNA-HRAATJIYSA-N 392.430 3.597 0 40 GHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CCC[C@@H]1c1ccccc1 23055139 WYJCSUKDDNJVKE-MRXNPFEDSA-N 393.512 3.770 0 40 GHAB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(OC)cc3OC)c2C(N)=O)C1 996148 CSUNKZDCVIOFNL-LLVKDONJSA-N 388.489 3.631 0 40 GHAB C[C@@H](c1nc(C(C)(C)C)no1)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 27307347 RFAOLUAHZHUXBQ-LBPRGKRZSA-N 398.429 3.852 0 40 GHAB CCn1cc2ccc(NS(=O)(=O)c3ccc(Br)c(C)c3)cc2n1 58023012 YSHLZCVHYBOUMY-UHFFFAOYSA-N 394.294 3.928 0 40 GHAB O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccnc(-n2ccnc2)c1 58198505 QHMKCUOZRIDYEZ-UHFFFAOYSA-N 379.420 3.706 0 40 GHAB Cc1c(C)c2ccc(OC(=O)CCCNC(=O)OC(C)(C)C)c(C)c2oc1=O 2148101 DWPVHEOPMTXOGH-UHFFFAOYSA-N 389.448 3.929 0 40 GHAB biogenic C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(-c2ccccn2)[nH]c1=O 58426935 HUNYVVNCEWACRH-ZDUSSCGKSA-N 390.468 3.880 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(c1nncs1)C3=O 2235254 ZCXRXPBQOPXIQW-MRXNPFEDSA-N 375.409 3.703 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2CN(Cc3ccncc3)C[C@H]21 306138394 RWKIDDQKGHFJSW-IFMALSPDSA-N 394.471 3.643 0 40 GHAB Cc1cc(=O)oc2cc(OC(=O)CCCNC(=O)OC(C)(C)C)c(Cl)cc12 2375701 GUVGNUHGCHZACF-UHFFFAOYSA-N 395.839 3.965 0 40 GHAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(Br)cc1F 11375337 ODNLQHDKXPJOKS-UHFFFAOYSA-N 391.200 3.605 0 40 GHAB COc1ccc(NC(=O)[C@@H](Sc2nncn2C)c2ccccc2)cc1Cl 3323446 LOARNXFIXNQKBU-INIZCTEOSA-N 388.880 3.949 0 40 GHAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cccnc1N1CCCC1 36735132 VRULRTTVFSZWSE-UHFFFAOYSA-N 384.823 3.742 0 40 GHAB O=C(Nc1nccs1)[C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 48374593 LOOSQRZJQXSZHT-ZDUSSCGKSA-N 389.908 3.705 0 40 GHAB O=c1c(N2CCOCC2)nc2ccccc2n1Cc1ccc(-c2ccccc2)cc1 12898728 VRNCAOSUJPLIRC-UHFFFAOYSA-N 397.478 3.948 0 40 GHAB CS(=O)(=O)NCCc1ccc(-c2csc(Cc3ccccc3)n2)s1 12872585 LPNFBIFDQKRVKP-UHFFFAOYSA-N 378.544 3.554 0 40 GHAB COc1ccc(NC(=O)NCCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 12803351 IVQMTCHKKOBRAR-MRXNPFEDSA-N 395.503 3.963 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3ccccc32)c1 3561129 YMTVLXZJSPEFCD-UHFFFAOYSA-N 392.908 3.573 0 40 GHAB COc1ccc(Br)c(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 12913371 HCLLHCXPHDKANM-UHFFFAOYSA-N 389.249 3.837 0 40 GHAB CCN1CCC[C@H]1CNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 8764816 PLLNIPSBWGCCRH-INIZCTEOSA-N 396.487 3.607 0 40 GHAB biogenic Cn1cnnc1Sc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 8753885 FZUFRLDOMHAGDP-UHFFFAOYSA-N 376.388 3.820 0 40 GHAB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c(Cl)c3)cc2)CC1 4120606 QHTOROYJJHVRSA-UHFFFAOYSA-N 385.895 3.959 0 40 GHAB CCCCOc1ccc(C(=O)N[C@H](C)[C@@H]2COc3ccccc3O2)cc1OC 4163875 IWOYIVRYVLATFW-VFNWGFHPSA-N 385.460 3.832 0 40 GHAB COC(=O)c1cc(CNC(=O)c2ccc(COc3ccccc3)o2)ccc1OC 18060103 PAQLPNHFKXTPAI-UHFFFAOYSA-N 395.411 3.584 0 40 GHAB Cc1cc(C)n(CCOC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)n1 64608034 CSJLPDHUSTVHGF-UHFFFAOYSA-N 378.476 3.812 0 40 GHAB O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944729 GAPOFPCFSXUHRO-CQSZACIVSA-N 399.853 3.990 0 40 GHAB Cc1cc(C)nc(NC(=O)c2cccc(CN(C)[C@@H](C)c3ccncn3)c2)c1 65459193 XVGDIYKUDFKPRS-KRWDZBQOSA-N 375.476 3.934 0 40 GHAB O=C1OCC2=C1[C@H](c1ccccc1)CC(=O)N2c1ccc(Br)cc1 5322340 YOVGTUQCNRGXGH-HNNXBMFYSA-N 384.229 3.781 0 40 GHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N(Cc1ccco1)Cc1cccs1 6578664 IBJIQIJRKDNIQJ-UHFFFAOYSA-N 393.468 3.739 0 40 GHAB COc1ccc(CCNC(=O)c2sc(=S)n(-c3ccccc3)c2N)cc1 5516444 ANGNPFJUVIQNFN-UHFFFAOYSA-N 385.514 3.832 0 40 GHAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc2c(c1)OCCO2 14604204 LBMFZFOUQSSRSI-UHFFFAOYSA-N 380.366 3.724 0 40 GHAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NC3CCCCCCC3)cc2O1 6757569 CDIJOOXHEADYQR-UHFFFAOYSA-N 375.465 3.744 0 40 GHAB Cc1cc2nc(SCC(=O)Nc3ccc(Cl)cc3)n(C(C)C)c(=O)c2[nH]1 67236022 QJEZINXDYQVJNG-UHFFFAOYSA-N 390.896 3.998 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCCCC2)cc1 15364965 BKVVMCNKFIHCGP-UHFFFAOYSA-N 386.517 3.700 0 40 GHAB CCCNC(=O)CSc1nnc(SCCOc2ccccc2C)s1 7289956 OHHSCKNJYZCSCW-UHFFFAOYSA-N 383.564 3.636 0 40 GHAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N1CCCC1 7790607 VYEPRVHBWQQALG-CYBMUJFWSA-N 381.505 3.864 0 40 GHAB CC(=O)Nc1cccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)c1 16136108 ZOFSGGGUEHXQOT-HXUWFJFHSA-N 382.460 3.766 0 40 GHAB Cc1cc(C(=O)Cn2c(=O)oc3cc(Cl)ccc32)c(C)n1C[C@H]1CCCO1 7866608 YOGJKFDIGHVWOU-OAHLLOKOSA-N 388.851 3.728 0 40 GHAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(F)c2)cc1 20040839 GFKVVICXTQQNCN-SFHVURJKSA-N 381.469 3.909 0 40 GHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cnc2ccccc2n1 8074587 GFGUEHXEGGEBQU-UHFFFAOYSA-N 384.443 3.867 0 40 GHAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C/c1ccc(OC(F)(F)F)cc1 96840023 YVRYZVSPYVZZHP-NTUHNPAUSA-N 377.274 3.658 0 40 GHAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 408583811 KNFRHIZSTDXSMF-UHFFFAOYSA-N 381.885 3.918 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)Nc1cc(-c2ccc(Cl)cc2)[nH]n1 408712984 FBPVIENOGYJJRM-UHFFFAOYSA-N 381.816 3.679 0 40 GHAB O=C(CCc1cc(Cl)no1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 524730869 AFMZJUSEMFTZBH-OAZVVGOESA-N 389.927 3.682 0 40 GHAB biogenic Cc1ccc(Oc2ccc(N(C)C(=O)c3cc4ccccc4oc3=O)cc2)nn1 38670815 QYPWOUHRRPCAIE-UHFFFAOYSA-N 387.395 3.960 0 40 GHAB CC(C)(C)[C@H]1CCc2sc(C(=O)NCc3ccnc(-n4cncn4)c3)cc2C1 1544257224 RAVJOYANQHVMPA-INIZCTEOSA-N 395.532 3.805 0 40 GHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCC[C@@H]3CCCO3)cc12 32753574 VBEAMRMATPONMZ-INIZCTEOSA-N 387.480 3.893 0 40 GHAB CC[C@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(C)cc1 216455470 OVLGAPWCFQKTRW-KRWDZBQOSA-N 394.924 3.682 0 40 GHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1C 219225255 MWSQADWGXDJMLA-QGZVFWFLSA-N 386.517 3.778 0 40 GHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 61972695 CZFQCSSLSWFQKV-KZULUSFZSA-N 394.452 3.681 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 38834477 XCVIROQOAVCCHJ-SFHVURJKSA-N 384.451 3.853 0 40 GHAB O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1 38836001 JQSNBBMNUKYISB-FQEVSTJZSA-N 397.950 3.901 0 40 GHAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)COc3ccc(C)cc3)ccc2c1 223501345 ZLQULANRZAAPQH-INIZCTEOSA-N 385.485 3.903 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccco3)cc2C)cc1 224090630 HXPZTYTZNCDKQX-UHFFFAOYSA-N 398.484 3.969 0 40 GHAB C[C@@H]1CN([C@@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CC[C@@H]1c1ccccc1 567595408 GONUCHLITNCYOQ-WWMYMODYSA-N 380.488 3.515 0 40 GHAB CSc1c2n(-c3ccc(Br)cc3)ncn2c(=O)n1C(C)(C)C 226820517 JMHQXTDIJHPQSB-UHFFFAOYSA-N 381.299 3.526 0 40 GHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(CN2CCOCC2)cc1 224585369 XSNAFDRASYDRFA-HSZRJFAPSA-N 396.531 3.609 0 40 GHAB Cc1ccccc1-c1noc(CN(C)C(=O)c2ccc(Cn3ccnc3)cc2)n1 225199724 CEVHMCFCPZVYDR-UHFFFAOYSA-N 387.443 3.562 0 40 GHAB C=CC(=O)Nc1cc(OC)c(OC)cc1C(=O)c1ccccc1Br 80340190 IGZVBABDRWFNNI-UHFFFAOYSA-N 390.233 3.822 0 40 GHAB COc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C 225867912 HWIMLTKFGKFDJB-UHFFFAOYSA-N 389.455 3.510 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 223548868 ZJXVHURYANKHQT-GOSISDBHSA-N 384.545 3.949 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 224631109 JRAHQJVTSOPPMG-JOCHJYFZSA-N 380.532 3.832 0 40 GHAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 223825133 IROXVBQORFFOME-UXHICEINSA-N 378.501 3.996 0 40 GHAB COc1ccc(CN2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)cc1 96037103 AAVJPZDDXWNWMV-UHFFFAOYSA-N 388.515 3.653 0 40 GHAB COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5cccs5)no4)c3CO2)cc1 97078122 WKWBQRPKMOHULR-HNNXBMFYSA-N 380.429 3.942 0 40 GHAB O=C(c1c[nH]c2c(F)cccc2c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 96118471 PWULDMZVZIDGMC-UHFFFAOYSA-N 390.418 3.563 0 40 GHAB COC(=O)[C@@H](CCSC)NC(=O)c1nc(C)sc1-c1ccccc1Cl 95478282 FIACTPJZOMXQHD-CYBMUJFWSA-N 398.937 3.796 0 40 GHAB COc1ccc(C(=O)NC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1 96112905 LAVZMVXVWMTTAI-SFHVURJKSA-N 397.862 3.541 0 40 GHAB biogenic,in-vitro CC(C)S(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1COc1cccc(C(F)(F)F)c1 249686634 GYWFUMLDKAOKGH-DUVNUKRYSA-N 377.428 3.675 0 40 GHAB CC(=O)N1CCC[C@@H]2N(C(=O)c3sc(-c4cccnc4)nc3C)CCC[C@@]21C 257287348 PPNXLNVVNXYTRN-UWJYYQICSA-N 398.532 3.519 0 40 GHAB CCOCc1cccc(S(=O)(=O)N2CCSC[C@@H]2c2ccccc2)c1 1654170046 FMFBLVOUAFPILL-LJQANCHMSA-N 377.531 3.702 0 40 GHAB O=C1CCCC[C@]2(CN(Cc3cccc(C(=O)O)c3)C[C@H]2c2ccccc2F)N1 585261668 AFIHPWJFZILKQR-WMZHIEFXSA-N 396.462 3.552 0 40 GHAB O=C(CC1CCC2(CC1)CCN(C(=O)c1ccnc(F)c1)CC2)N1CCCC1 585101535 ZWGLPHZAEKZBJI-UHFFFAOYSA-N 387.499 3.646 0 40 GHAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)[C@@H](CO)[C@H]3[C@H](CO)C[C@@H]12 5084834 LSEZDZDSBYJFOM-OGKIWWCQSA-N 380.569 3.891 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cl)c(C)c1 5120236 MVUMORSLUCIRFE-UHFFFAOYSA-N 380.897 3.524 0 40 GHAB COc1ccc(CNC(=O)[C@H](OC(=O)c2ccco2)c2ccc(F)cc2)cc1 15936151 GOJHOPUISOOSRX-LJQANCHMSA-N 383.375 3.642 0 40 GHAB Fc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1 19332607 UMPKSFWBTFBFRL-NRFANRHFSA-N 398.530 3.577 0 40 GHAB C[C@H]1C[C@H]1C(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 19495786 BYRURXNSASYPEX-WMLDXEAASA-N 396.466 3.549 0 40 GHAB CCN(Cc1ccccc1)[C@H](c1cccnc1)c1nnnn1Cc1ccccc1 19526644 OIEJULRTURTJGF-JOCHJYFZSA-N 384.487 3.728 0 40 GHAB CCOc1ccc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ncccc3C)C2)cc1OC 19533924 YKMJJSOVBBSRBH-YYDVJCTNSA-N 382.504 3.527 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 2663249 AKWDCMIGTWBGCE-FQNOHDAGSA-N 382.460 3.884 0 40 GHAB CC(C)[C@@H]1N(C(=O)c2cccn3cc(C(F)(F)F)nc23)CC12CCOCC2 616290450 JRYMNRFLRZOVID-HNNXBMFYSA-N 381.398 3.630 0 40 GHAB Cc1nn(C)c(C)c1CNC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 654471406 UFKNBLKJQAQZFD-UHFFFAOYSA-N 390.478 3.870 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NC2CCCCC2)n1 5996221 FSZDMPWBFJGLNT-UHFFFAOYSA-N 380.901 3.675 0 40 GHAB Cn1cnnc1[C@@]1(C)CCCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 1848353651 CHEBNSDAKXFOFI-QHCPKHFHSA-N 390.487 3.734 0 40 GHAB CCOc1ccccc1CN1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984345 YBTMQJRZUHJUPP-DEOSSOPVSA-N 394.515 3.873 0 40 GHAB Cc1ccc2cc(CCNC(=O)c3cccc(Br)c3)c(=O)[nH]c2c1 4032834 PGNFATSRSOZWCK-UHFFFAOYSA-N 385.261 3.572 0 40 GHAB COc1ccc(-c2nnc(NC(=O)CSc3ccc(F)cc3)o2)cc1OC 5372582 MTNXXYQVGDRSRR-UHFFFAOYSA-N 389.408 3.624 0 40 GHAB CCn1cc(C(=O)Nc2ccccc2F)c2nn(-c3ccccc3)c(=O)c-2c1 9661437 CMJQPXWNSWGVKN-UHFFFAOYSA-N 376.391 3.550 0 40 GHAB O=C(Nc1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CC2)c1ccc(F)cc1Cl 13695548 CGBQIWVBQSFTOB-GOSISDBHSA-N 388.826 3.800 0 40 GHAB Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCc2ccc(C)cc2)cc1 17041509 KILVHFBCEXPNPJ-UHFFFAOYSA-N 395.528 3.601 0 40 GHAB COc1ccc(-n2nnc(-c3nc(-c4ccccc4OC)cs3)c2N)cc1 33265145 BCSSYAVNLXGGBB-UHFFFAOYSA-N 379.445 3.657 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)Nc1nc2ccccc2[nH]1 44168584 NEZVYUKOESSSLC-YVEFUNNKSA-N 384.867 4.000 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)NCc3ccc(-c4ccoc4)nc3)c2O1 575615680 HEOGHJHMKCMPJW-UHFFFAOYSA-N 378.428 3.750 0 40 GHAB CC(C)[C@@H]1C[C@@](CC(=O)N2CCN(C)CC2)(Cc2ccccc2Cl)CCO1 20625268 CWBQNELCQASBAE-UNMCSNQZSA-N 392.971 3.868 0 40 GHAB Cc1cc(C)c(NC(=O)CSc2nc(=O)cc(O)n2C2CCCC2)c(C)c1 102137459 IKGJKNYRVHOSCX-UHFFFAOYSA-N 387.505 3.720 0 40 GHAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1Sc1ccccc1 102362349 JEZGPKYSAIQVLN-CALCHBBNSA-N 392.480 3.728 0 40 GHAB CC(C)c1ccc(NC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 11997112 DOTBGEVSOPMNTP-QGZVFWFLSA-N 389.521 3.742 0 40 GHAB COc1cc(OC)cc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)o2)c1 929491 ZMRKFBCXUZOFHH-BETUJISGSA-N 391.493 3.635 0 40 GHAB O=C(CSc1nc(CCC2CCCC2)nc2ccccc12)N1CCOCC1 1355998 KCQQGLJFAAYHCJ-UHFFFAOYSA-N 385.533 3.704 0 40 GHAB O=C(CSc1nnc(-c2ccccn2)n1Cc1ccccc1)NC1CCCC1 1362684 KILFEDYYJGNEJF-UHFFFAOYSA-N 393.516 3.539 0 40 GHAB OCCN(CCO)CCN1c2ccccc2Sc2c1ccc1ccccc21 1690554 XSHMXGDZDMXSLO-UHFFFAOYSA-N 380.513 3.729 0 40 GHAB Cc1ccc(C(=O)COc2ccccc2N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102623763 KGFACBXTOKAQCI-PEYKTXOXSA-N 387.435 3.568 0 40 GHAB Cc1nc(CCNC(=O)c2c(Br)c3ccccc3n2C)cs1 32922018 DZUVHQMAWFSPFS-UHFFFAOYSA-N 378.295 3.678 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1(c2ccc(Cl)cc2)CCC1 32997844 XRIUROPXKHNJQW-UHFFFAOYSA-N 381.863 3.657 0 40 GHAB CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CC(=O)NC(C)(C)C 3420225 ZUQBFIBBWDZZMB-UHFFFAOYSA-N 393.837 3.534 0 40 GHAB CC(C)[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F 3536561 PGFHYIZPKQWMEC-AWEZNQCLSA-N 399.491 3.778 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)O)n1-c1cccc(Cl)c1 4126427 HLHMOMSLJWSVNV-UHFFFAOYSA-N 389.864 3.985 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)c(C)c1 2796293 VEJUJUYMLODCOY-NSHDSACASA-N 380.286 3.854 0 40 GHAB NC1=N[C@@H](c2c[nH]c3ccc(Br)cc23)n2c(nc3ccccc32)N1 4864146 PFVBGJZBJBSCLH-OAHLLOKOSA-N 381.237 3.567 0 40 GHAB Cc1nnc2c(NCc3cccnc3)nc3ccc(C(=O)c4ccccc4)cc3n12 7504057 XPYURCHRNAWKIE-UHFFFAOYSA-N 394.438 3.824 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2)cc1 667188 NYMVNVXRCRAEJV-UHFFFAOYSA-N 394.924 3.988 0 40 GHAB CCOc1ccc(-n2ccc3nc(N4CCc5ccccc5C4)ncc3c2=O)cc1 22608867 NCCLKIHQGJPYMF-UHFFFAOYSA-N 398.466 3.742 0 40 GHAB Cc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(C)c1 790761 MUMJANVOXGTDAJ-CYBMUJFWSA-N 381.501 3.838 0 40 GHAB CC(C)(C)OC(=O)N(CCCNC(=O)c1ccc(F)cc1)Cc1cccnc1 54776020 FZIIWMXMXFPSHT-UHFFFAOYSA-N 387.455 3.778 0 40 GHAB Cc1ccc(C)c(SCC(=O)OCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 103076236 IGIORBKYTVMXGL-TVFCKZIOSA-N 375.534 3.880 0 40 GHAB COc1ccc(OC)c2c1CN(C(=O)Nc1ccc3nc(C)sc3c1)C[C@H]2O 43375308 BQIYZZNFEWKIFV-OAHLLOKOSA-N 399.472 3.703 0 40 GHAB COC(=O)c1cccc(NC(=O)NC2C[C@@H]3CC[C@@H](C2)N3Cc2cccs2)c1 100423754 JMPBLADSRAXLPG-ROUUACIJSA-N 399.516 3.852 0 40 GHAB COc1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)cc1OC(F)F 12521393 FZXVUAFFEULSBM-UHFFFAOYSA-N 394.399 3.954 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC(C(C)C)C(C)C 113943246 LHHAFQBEEJZJNA-UHFFFAOYSA-N 394.581 3.826 0 40 GHAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 20455512 ORPSRVOIIKOSDT-SFHVURJKSA-N 391.489 3.532 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3ccc(C)cc3)n[nH]1)CC2 12627529 XSRCFYWMTLIHDD-UHFFFAOYSA-N 377.444 3.601 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)c2nn(-c3ccccc3)cc2OC)cc1 57741025 QGIRCAUCLDGVAO-IBGZPJMESA-N 377.444 3.867 0 40 GHAB CCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 2062785 HIIMUJQLKLJZAZ-UHFFFAOYSA-N 380.444 3.862 0 40 GHAB CC(C)NC(=O)c1cccc2c1CCCN2Cc1nnc(-c2ccccc2)o1 10132577 IHVBOYVTQIRJIL-UHFFFAOYSA-N 376.460 3.828 0 40 GHAB Cc1ccccc1N(CC(=O)Nc1ccc2c3c(cccc13)CC2)S(C)(=O)=O 27247959 VLAHNBMUPGLOSH-UHFFFAOYSA-N 394.496 3.652 0 40 GHAB Cc1ccc(N2CCN(C(=O)CCc3nc(-c4ccccc4C)no3)CC2)cc1 44842142 NQCDEDGVBZVZJQ-UHFFFAOYSA-N 390.487 3.635 0 40 GHAB CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 12781218 FLIAMCYMYKUJAF-UHFFFAOYSA-N 392.480 3.808 0 40 GHAB Nc1nc(COC(=O)CCc2ccc(Cl)cc2)nc(Nc2ccccc2)n1 10712592 GEHYNTGFSDBERX-UHFFFAOYSA-N 383.839 3.527 0 40 GHAB CC(C)Cn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 2422469 FTCSQMIDSDERNY-UHFFFAOYSA-N 386.502 3.717 0 40 GHAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C)c(C(=O)O)s1 45946102 UURSZBAVZOCPRF-UHFFFAOYSA-N 375.855 3.526 0 40 GHAB CCn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccccc1OC 3401379 HHCJQPJVAHNSAG-GJZGRUSLSA-N 388.537 3.570 0 40 GHAB O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1CCCO 3454919 VTUTUHUPXFVRSZ-UHFFFAOYSA-N 383.498 3.681 0 40 GHAB O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1c[nH]c2ccccc12 3527715 ANCSGGINKFNZOM-NRFANRHFSA-N 392.436 3.523 0 40 GHAB Cc1ccc(-c2csc(=O)n2CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 8728741 RIDVSOAMYKQXCE-UHFFFAOYSA-N 382.529 3.970 0 40 GHAB O=C(NC1CCCC1)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1 13059041 QUZXZNWCSHBLIN-UHFFFAOYSA-N 378.881 3.813 0 40 GHAB Cc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cccc1C(=O)O 13464644 ORSVLIBXUQZJDS-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB O=C(O)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 13463509 APTJKFWOPIWMKA-UHFFFAOYSA-N 391.626 3.568 0 40 GHAB CCOc1ccccc1N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4073575 FNIUHVLCRDEGJM-QFIPXVFZSA-N 375.428 3.807 0 40 GHAB biogenic Cc1ccc2oc(C(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 4185921 GGBSWFJHUIKZLW-GOSISDBHSA-N 397.496 3.879 0 40 GHAB CC(C)[C@@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 8878904 KFJBUDMDXADBFX-CYBMUJFWSA-N 387.530 3.700 0 40 GHAB COc1ccccc1OCCn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3 64814454 XNMBBIAVEWFCHP-UHFFFAOYSA-N 394.349 3.914 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 20450998 PTYRNZTZWIDGKL-SFHVURJKSA-N 399.443 3.673 0 40 GHAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccc(-c2nnn[nH]2)cc1 14183829 KDLOCIQAIIBJHB-UHFFFAOYSA-N 379.807 3.710 0 40 GHAB C[C@H]1CN(c2ccc(NC(=O)Nc3cccc4cccnc34)cn2)C[C@@H](C)O1 65799410 WLRFQXIVBKSYHS-GASCZTMLSA-N 377.448 3.887 0 40 GHAB O=C(O)C[C@@H](c1ccc(OC2CCCC2)cc1)N1C(=O)c2ccccc2C1=O 4745759 DVLCDOBNADJOKY-IBGZPJMESA-N 379.412 3.820 0 40 GHAB O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2ccccc21)c1ccccc1 6757095 SBPREIZWOYAIPQ-UHFFFAOYSA-N 390.826 3.689 0 40 GHAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 6767104 YSGDZISPBSOUSU-UHFFFAOYSA-N 378.881 3.613 0 40 GHAB COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3ccccc3)C2=O)cc1 6808634 AVARXAGRFWZGCO-UHFFFAOYSA-N 391.471 3.626 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(C)cc1)S2 6811786 PYQLDQLNCLLYPZ-MSOLQXFVSA-N 379.489 3.547 0 40 GHAB Cc1ccc(CSc2nnc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2N)cc1 9088758 XNOGAYYRYPZMCW-UHFFFAOYSA-N 380.452 3.789 0 40 GHAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(Cl)cc1Cl 15631033 AGNABRUBEXFWNH-UHFFFAOYSA-N 384.263 3.577 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 15869310 VIFOVQRDGLCRJX-OAQYLSRUSA-N 399.450 3.991 0 40 GHAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 7652680 OYOFPDAQSVEEJA-KRWDZBQOSA-N 378.881 3.522 0 40 GHAB Nc1c(Cl)cc(NC(=O)CN2C(=O)CSc3ccccc32)cc1Cl 16489999 UYDTVCLJHBIIOB-UHFFFAOYSA-N 382.272 3.653 0 40 GHAB CCc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(C)cc2)cc1 9237358 ODHHOGODVRACHM-MOPGFXCFSA-N 393.516 3.855 0 40 GHAB COc1ccc(CNC(=O)c2cn(CC(C)C)c(=O)c3ccccc23)cc1OC 72325895 CDFHQNZYQUHSKH-UHFFFAOYSA-N 394.471 3.605 0 40 GHAB biogenic O=C(NCc1ccc2c(c1)OCCO2)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502041 HCMVCEYYQONBJN-CABCVRRESA-N 377.362 3.897 0 40 GHAB CC(C)c1ccc(-n2cc(O)c(C(=O)N(C)[C@@H](CCO)c3ccccc3)n2)cc1 95453489 IBIMLUUBBLGWIU-FQEVSTJZSA-N 393.487 3.897 0 40 GHAB CC(C)c1ccccc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O 22397731 LLJBCRURTAMAEP-OAHLLOKOSA-N 392.496 3.593 0 40 GHAB O=C1NCCN1c1cccc(C(=O)N(Cc2ccco2)c2ccc(F)cc2)c1 95957422 OTLWDDVLLQOQKI-UHFFFAOYSA-N 379.391 3.795 0 40 GHAB COCc1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)o1 89375077 NVQGKKMMXKJDQH-UGSOOPFHSA-N 380.847 3.641 0 40 GHAB CCN(CC)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 22275013 QAXRFDBLOOPINM-UHFFFAOYSA-N 394.924 3.712 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c(C)cc(C)cc2C)cc1 9217103 RAZLGGYFSDFIFI-IBGZPJMESA-N 386.517 3.712 0 40 GHAB COc1cccc(OC)c1/C=C/C(=O)N1CCN(c2cccc(Cl)c2)CC1 409231815 MNROFHRUXDGBGR-MDZDMXLPSA-N 386.879 3.719 0 40 GHAB COc1ccc(S(=O)(=O)NC2CCCCC2)cc1NC(=O)c1ccccc1 408550316 CQHXGLDDYWOPKI-UHFFFAOYSA-N 388.489 3.559 0 40 GHAB Cc1ccc2sc(CS(=O)(=O)c3ccc(N4CCCC4=O)cc3)nc2c1 530109109 FTHLTKIOPSSOLF-UHFFFAOYSA-N 386.498 3.705 0 40 GHAB O=C(Cc1cnn(-c2ccccc2)c1)N=c1cc(-c2ccc(Cl)s2)[nH][nH]1 533840732 GLPUKUGOKPJVRA-UHFFFAOYSA-N 383.864 3.580 0 40 GHAB Cc1ccccc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 33746289 VVZLAMIEZYPSSM-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S 35039020 XTWYRRIJMBWDTD-GULXKOIASA-N 395.502 3.548 0 40 GHAB O=C(NCc1cccc(CN2CCCC2)c1)C1CCN(Cc2ccccc2)CC1 38831187 BGLFHHGFFCDEJS-UHFFFAOYSA-N 391.559 3.811 0 40 GHAB C[C@]12CC[C@H](C[C@@H]1C(=O)N1CCCCCC1)[C@]1(C2)NC(=O)c2ccccc2N1 72326496 MBKJQAGOJLTKNZ-ZDZLMVPKSA-N 381.520 3.767 0 40 GHAB COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(C)=O 72370674 RTAMTYINFPHHDW-INIZCTEOSA-N 388.533 3.611 0 40 GHAB NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1 72348615 JTBLVTFRBBWLKW-FQEVSTJZSA-N 385.467 3.867 0 40 GHAB CCc1cc(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)on1 72362963 HIGWEJNASFDVNX-HNNXBMFYSA-N 378.432 3.839 0 40 GHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 225847044 WQKRBHGBKALEKR-MRXNPFEDSA-N 386.517 3.724 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 222921268 YPZNPGFYOZCJKO-FQEVSTJZSA-N 384.545 3.782 0 40 GHAB CN(Cc1nc(-c2cccs2)no1)C(=O)COc1cccc2c1CCCC2 223204339 HCSUZVRXGJOCOA-UHFFFAOYSA-N 383.473 3.714 0 40 GHAB COc1cccc(OCC(=O)N[C@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)c1 77200140 VSOPQIXBSGCTOA-PXNSSMCTSA-N 398.459 3.750 0 40 GHAB CCOC(=O)c1cn(Cc2ccncc2)c2cc(C(F)(F)F)ccc2c1=O 199787934 AHZPQUDNQYFICI-UHFFFAOYSA-N 376.334 3.640 0 40 GHAB CCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCCCC2)n1 225886487 CSVICSVPEYYTLA-UHFFFAOYSA-N 390.601 3.934 0 40 GHAB Cc1cc(C)n(Cc2cccc(NC(=O)[C@@]3(C)Oc4ccccc4N=C3O)c2)n1 40286019 VLBKOPSMJMVUQI-JOCHJYFZSA-N 390.443 3.926 0 40 GHAB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 41091083 QEZHKZSPRKTUBL-HXUWFJFHSA-N 387.501 3.709 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C)c1C 224401153 XXEJJZBTOSWKFW-CYBMUJFWSA-N 390.505 3.641 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(-c2ccccc2C)[nH]n1 223254118 NFDQKTJWYCEZQU-UHFFFAOYSA-N 377.853 3.848 0 40 GHAB COc1cc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccccc3OC)C2)ccc1O 247900953 QLSDPSXDBKELMS-GEQKSPFYSA-N 383.488 3.529 0 40 GHAB CCC(=O)N1CCC[C@H](c2nc(C)c(CC(=O)Nc3ccc(F)cc3)c(C)n2)C1 257263469 LQAZZIYPCHHSSJ-INIZCTEOSA-N 398.482 3.530 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(C)c2)CC1 257234857 GVJIDSZJISQISE-ZILOHOTNSA-N 393.531 3.733 0 40 GHAB Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)c3ccc(F)cc3)CCO2)n1 257222222 DSKYHEJEHLKILM-LJQANCHMSA-N 381.407 3.706 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3cccc(F)c3)CC2)CN1CCc1ccccc1 257277261 NXCNVJYFIVBLKA-DEOSSOPVSA-N 396.506 3.652 0 40 GHAB Cc1noc(C)c1-c1cccc(C2CCN(C(=O)CCCn3cccn3)CC2)n1 257212882 CFHVQMORSFIKTD-UHFFFAOYSA-N 393.491 3.736 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@@H](Cc2cncc(-c3cccc(C(=O)O)c3)n2)C1 257203400 APVLVSIYHCHLCJ-HNNXBMFYSA-N 381.476 3.669 0 40 GHAB CC(=O)c1cccc(NC(=O)Cn2c(=O)c(-c3ccccc3)nc3ccccc32)c1 90610105 CEWHJPSNRSEQIY-UHFFFAOYSA-N 397.434 3.905 0 40 GHAB Cc1c(Br)cncc1CN[C@H]1c2sccc2OC(C)(C)[C@@H]1O 657491780 KVNWVZWEUCXYEU-DZGCQCFKSA-N 383.311 3.577 0 40 GHAB CCNC(=O)N(C)c1cccc(NC(=O)N2CC(Cc3ccc(C)cc3)C2)c1 666968760 YOECLDGRXXKFGE-UHFFFAOYSA-N 380.492 3.867 0 40 GHAB COc1cccc(CNc2ccc(C(=O)N3CCC(CO)CC3)cc2)c1Cl 685938895 OWXBOUMGMPVPOJ-UHFFFAOYSA-N 388.895 3.805 0 40 GHAB COc1ccccc1C(=O)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099868 NGZBMELZTZELMY-UHFFFAOYSA-N 385.514 3.843 0 40 GHAB COc1ccc(CCNC(=O)NCc2nn(C3CCCC3)c3c2CCCC3)cc1 96099256 RKIXTLRVHRNVDA-UHFFFAOYSA-N 396.535 3.928 0 40 GHAB CN(Cc1ccccc1F)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 55093603 JQBIPABPSISZQT-AWEZNQCLSA-N 380.872 3.804 0 40 GHAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)N[C@H]1CCCc2ccccc21 58176583 HOAZGSKDGWAKNZ-RXVVDRJESA-N 384.545 3.923 0 40 GHAB CCC(=O)N1N=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccc2nccnc2c1 12391408 PDQJPHVOJRNVQB-LJQANCHMSA-N 390.443 3.735 0 40 GHAB O=C(CC1CCCCC1)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 12406905 TYFAOEOESQBNFC-CQSZACIVSA-N 377.439 3.738 0 40 GHAB O=C(CC1CCCCC1)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 12406907 TYFAOEOESQBNFC-AWEZNQCLSA-N 377.439 3.738 0 40 GHAB Oc1ccccc1N1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 17077936 MTAIMUDFKAOIIA-UHFFFAOYSA-N 381.423 3.930 0 40 GHAB O=C(c1ccc(Cn2ccnc2)o1)N1CCC[C@H](COc2ccc(F)cc2)C1 19335842 IKVDQCKVIBBIHD-INIZCTEOSA-N 383.423 3.595 0 40 GHAB NC(=O)c1cccc(-c2ccc(C3CCN(C(=O)c4ccccc4)CC3)nc2)c1 19689046 WWTAEDRUIBBHJJ-UHFFFAOYSA-N 385.467 3.867 0 40 GHAB COc1ccc(C(=O)N2[C@H](c3ccccc3)CC[C@@H]2C(=O)O)cc1OC(F)F 621587992 NRQZWRCOOWHKJK-LSDHHAIUSA-N 391.370 3.727 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(CCc2ccccc2)C1 19591663 SCRWGRORYAVGRO-SANMLTNESA-N 399.538 3.972 0 40 GHAB Cn1cnc2cc(C(=O)N[C@@H](CCN3CCCCC3)c3ccccc3)ccc21 19718647 MKMLBJXDHMPKOW-FQEVSTJZSA-N 376.504 3.920 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C[C@H]3CCCO3)CC2)on1 257291857 QIXABSZWSYBBJH-KZNAEPCWSA-N 398.507 3.708 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3216719 QRRWUGYFKOVZDC-UHFFFAOYSA-N 397.839 3.970 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@](O)(c1ccsc1)c1ccco1 239846319 LBOHMYNVKDUXLX-QGZVFWFLSA-N 397.905 3.517 0 40 GHAB CCOc1ccc2nc(NC(=O)c3ccnc(O[C@H]4CCOC4)c3)sc2c1 245130835 UZYPUNRVQMWXJR-AWEZNQCLSA-N 385.445 3.510 0 40 GHAB Cc1cc(C)n2c(-c3cccc(C[C@@H]4COC5(CCNCC5)C4)n3)cnc2c1 2037846179 UCMQEEBZZDYKSX-SFHVURJKSA-N 376.504 3.714 0 40 GHAB Cc1cc(OC[C@]2(O)CCCN(C(=O)c3cncs3)CC2)cc(C)c1Cl 2037912678 UNGFUOPSBWZPGE-IBGZPJMESA-N 394.924 3.850 0 40 GHAB CCN1CCN(c2c(C(=O)c3ccccc3)cnc3ccc(OC)cc23)CC1 4315913 JGZJMVNUYFNVJH-UHFFFAOYSA-N 375.472 3.616 0 40 GHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 5241757 PHGINEYLSGFNQS-UHFFFAOYSA-N 390.461 3.995 0 40 GHAB CCOc1cc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)nc(C)n1 12225459 SYAQBNZXSCKTEX-UHFFFAOYSA-N 392.415 3.908 0 40 GHAB COc1ccc(-c2c3c4cc(OC)c(OC)cc4ccn3c(C)[n+]2C)cc1OC 16363241 ZTUUWNQYTXDWMD-UHFFFAOYSA-N 393.463 3.927 0 40 GHAB O=C1O[C@@H](C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)Cc2ccccc21 21047545 LXTSFXSJFXQDHF-LJQANCHMSA-N 379.412 3.838 0 40 GHAB CCCn1c(NC(=O)CSc2ccc3c(c2)OCCO3)nc2ccccc21 21597524 BUSIVIOIOMQSJV-UHFFFAOYSA-N 383.473 3.948 0 40 GHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 2622852 PXCWZJPTTCQEMC-UHFFFAOYSA-N 394.456 3.604 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(C)n2CCc2ccccc2)c1 891390 TUKOKJBGYVQTFE-UHFFFAOYSA-N 382.489 3.569 0 40 GHAB COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccc(Cl)cc1 908187 WZZARVBKSFVUJY-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2C)sc(C(=O)OC)c1C 1262246 XNBKQVYRMMBKRG-UHFFFAOYSA-N 375.446 3.889 0 40 GHAB COC(=O)c1cccc(OC)c1OCc1cc(Br)ccc1OC 78991060 FBSCIVSJRYGVQN-UHFFFAOYSA-N 381.222 3.832 0 40 GHAB CCCCCn1c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)nc2ccccc21 32910729 AALFYBLHKDXOKE-HOTGVXAUSA-N 375.538 3.954 0 40 GHAB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C2CCCCC2)cc1 102775733 PCPBOQMHDAXSPD-ZULIPRJHSA-N 377.440 3.655 0 40 GHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 41396505 CLDTWXGSSPLLGV-UHFFFAOYSA-N 398.331 3.582 0 40 GHAB COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1OC 4998128 ABAIIXVRUPKJPS-NSHDSACASA-N 387.823 3.898 0 40 GHAB CCOC(=O)N1CCN(C(=O)CSCc2c(Cl)cccc2Cl)CC1 6955518 YIYTWHBZOKNOBP-UHFFFAOYSA-N 391.320 3.527 0 40 GHAB COc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1F 7219828 JIUNSKGDDNOLFV-UHFFFAOYSA-N 382.357 3.816 0 40 GHAB Fc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=S)NCc2ccco2)C3)cc1 100424809 PKLSEMYZFCZBQM-RTBURBONSA-N 387.524 3.969 0 40 GHAB C[C@H]1Cc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2N1S(C)(=O)=O 10324207 QXHWBAHMJZBWNS-JTQLQIEISA-N 399.299 3.956 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](c3ccco3)N(C)C)o2)cc1C 22381605 VDLRVZDVWHUVNF-SFHVURJKSA-N 381.476 3.903 0 40 GHAB COCCn1c(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2ccccc21 104105201 MMSHLOPLBBIOIH-LTIDMASMSA-N 387.549 3.716 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)c1ccccc1OC[C@H]1CCCO1 22872545 BCGIYZYRTJVSJP-OAQYLSRUSA-N 394.515 3.770 0 40 GHAB Cc1ccc(-c2cnc(NC(=O)CCC(=O)N(C)Cc3ccccc3)n2C)cc1 819490 JSKMAUMKMVZHBA-UHFFFAOYSA-N 390.487 3.773 0 40 GHAB Cc1c(NC(=O)C2CCOCC2)cccc1C(=O)N1CCc2sccc2C1 22973768 HPONVLKSTLGWRN-UHFFFAOYSA-N 384.501 3.620 0 40 GHAB O=C(COc1ccc2oc3c(c2c1)CCCC3)OCc1nnsc1Cl 23274804 WZKLZJJWZJDWGX-UHFFFAOYSA-N 378.837 3.939 0 40 GHAB O=C(Cc1csc(-c2ccco2)n1)N1CCN(c2cccc(Cl)c2)CC1 24425663 QRBJSVYLPXILOI-UHFFFAOYSA-N 387.892 3.948 0 40 GHAB CC(C)CN1CCO[C@@H](CSc2nnc(Nc3ccccc3F)s2)C1 23466448 NBFWQKBYFSLDKP-CYBMUJFWSA-N 382.530 3.870 0 40 GHAB Cc1cccc(OCCCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 9954143 BSLPLZQCUMNAAY-UHFFFAOYSA-N 393.487 3.661 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCOCC2)cc1 24601527 JKIPEKVJEXZEFC-UHFFFAOYSA-N 379.504 3.761 0 40 GHAB COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3ccc(F)cc3)C2=O)cc1 59379302 UKUJDMKTXGVHKM-MHWRWJLKSA-N 386.404 3.718 0 40 GHAB Cc1noc(C)c1S(=O)(=O)N(Cc1cccc(F)c1)Cc1cccc(F)c1 25351838 AQWPOPRYLBRJIO-UHFFFAOYSA-N 392.427 3.961 0 40 GHAB CC(C)(CNC(=O)N[C@H]1CCOc2ccccc21)N1CCc2ccccc2C1 26163949 DAOHBCDXCIAOLT-FQEVSTJZSA-N 379.504 3.646 0 40 GHAB CC(C)Cn1c(SCC(=O)NCc2ccccc2)nc2ccsc2c1=O 57426190 JVFDCSSBJZEXIY-UHFFFAOYSA-N 387.530 3.523 0 40 GHAB COc1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1C 100750267 XBCFNOYBBOKJMG-GWJPWWOOSA-N 381.520 3.564 0 40 GHAB C[C@H]1C[C@H](Sc2nnc(Cc3cccs3)n2CCc2ccccc2)C(=O)O1 57709742 VHTAWNVRRZUTPW-YOEHRIQHSA-N 399.541 3.969 0 40 GHAB CCc1ccccc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 113940044 OOCGSHGKRNXZDA-CYBMUJFWSA-N 380.897 3.696 0 40 GHAB Cc1c(CC(=O)N[C@@H](C)CO)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8764731 VLSOGEKWIGRRKN-ZDUSSCGKSA-N 391.423 3.554 0 40 GHAB biogenic CCOc1ccc(-c2noc(-c3nnn(-c4ccc(Cl)cc4)c3N)n2)cc1 10273094 ZQMVDRRXUKHPIL-UHFFFAOYSA-N 382.811 3.619 0 40 GHAB Cc1cccc(N(CCC(N)=O)CC(=O)Nc2cc(Cl)ccc2Cl)c1 58222856 VRIMTAGZZOZNFS-UHFFFAOYSA-N 380.275 3.622 0 40 GHAB C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)NC1CCCC1 10775195 GOEQGCRPKZRCRY-ZDUSSCGKSA-N 376.551 3.732 0 40 GHAB O=C(NC1CCCCCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 45287481 CTSCPXHKMYOJMF-UHFFFAOYSA-N 380.444 3.919 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 36394779 COYMRZYPHRULTK-QAPCUYQASA-N 398.507 3.668 0 40 GHAB FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3csnn3)n2)cc1 67898595 HGEFWDAQQBSGAU-HNNXBMFYSA-N 395.410 3.521 0 40 GHAB biogenic,in-vitro O=C(c1ccsc1)N1CC([C@H]2CN(C(=O)c3ccncc3)c3ccccc32)C1 306135060 OGKINBIZTGLRNR-LJQANCHMSA-N 389.480 3.659 0 40 GHAB CC(C)c1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)c3ccc(Cl)cc3)C2=O)cc1 12764053 KCOLOXUYVMNRBU-WIYYLYMNSA-N 386.879 3.964 0 40 GHAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 2434659 UTTVIPSKPVGNDI-FQEVSTJZSA-N 376.456 3.598 0 40 GHAB CN(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)[C@@H]1CCCc2ccccc21 29258646 XJJHGGISYOESSO-GOSISDBHSA-N 387.439 3.679 0 40 GHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1Cc2ccccc2S1 11673522 NCDVVXZMQDHKNK-SFHVURJKSA-N 397.525 3.788 0 40 GHAB C/C=C/c1ccc(OCC(=O)Nc2ccccc2N2CCOCC2)c(OC)c1 3447395 LBUFSSAZBQVZTF-ZZXKWVIFSA-N 382.460 3.582 0 40 GHAB CC(=O)c1ccc(OCC(=O)Nc2ccccc2I)cc1 3504259 KSYDAVXGPLUMLR-UHFFFAOYSA-N 395.196 3.511 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4C3)n2)cc1 12917370 NFHAJSIKEGEKOX-INIZCTEOSA-N 393.468 3.958 0 40 GHAB CC(=O)c1cccc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1 13001662 UIHNPHVFVWZYIX-UHFFFAOYSA-N 391.427 3.703 0 40 GHAB COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2Cl)N(C)C)cc1 13039026 DZLMEDZTAWGWAT-QGZVFWFLSA-N 397.302 3.800 0 40 GHAB Cc1ccc(Br)c(NS(=O)(=O)c2cc(N)ccc2Cl)c1 3885703 LDISQJQGSJXSLZ-UHFFFAOYSA-N 375.675 3.794 0 40 GHAB CCOC(=O)[C@](O)(c1ccc(N(CC)C(=O)c2ccccc2)cc1)C(F)(F)F 4016955 OVFRIRSEASSMPP-LJQANCHMSA-N 395.377 3.666 0 40 GHAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 13690372 FTRSVBUUZMXIBT-GOSISDBHSA-N 395.890 3.990 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 6133836 ZCMZTMHESMSGOO-UHFFFAOYSA-N 379.441 3.811 0 40 GHAB COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)O)cs3)n2)c(OC)c1 5243339 MXZMHHSULDLPEC-UHFFFAOYSA-N 399.350 3.730 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1Br 22453397 OTCAXVBJTLBINT-INIZCTEOSA-N 396.306 3.814 0 40 GHAB C[C@@H](Sc1nnc(Cc2ccccc2)n1Cc1ccco1)C(=O)N1CCCC1 14085780 INOBJQRHWVJCBP-MRXNPFEDSA-N 396.516 3.613 0 40 GHAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C 26120941 XYIHPHTWLSWWOS-UHFFFAOYSA-N 392.503 3.885 0 40 GHAB CCCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n[nH]c1=O 6582698 OUWYGANTPDLHGA-INIZCTEOSA-N 386.452 3.593 0 40 GHAB O=C(CCc1nc(-c2ccccc2)no1)NC[C@@H](c1cccs1)N1CCCC1 27605879 WBOGNRCTQNQHBO-KRWDZBQOSA-N 396.516 3.684 0 40 GHAB COc1ccc(-c2n[nH]c(S[C@@H](C(=O)N3CCCC3)c3ccccc3)n2)cc1 5505997 BJOLQKXBYOXIAA-GOSISDBHSA-N 394.500 3.936 0 40 GHAB CC(=O)N1CCC(N(C(=S)NCc2cccs2)c2ccc(F)cc2)CC1 4710580 PELDYDHTNTUTII-UHFFFAOYSA-N 391.537 3.779 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2oc(C)nc2c1 8110186 YKHBGMFKLIPPAJ-UHFFFAOYSA-N 397.250 3.708 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 9502434 SKMYMYQLOYAGFR-NSHDSACASA-N 399.921 3.959 0 40 GHAB Cc1noc2ncc(C(=O)N3CCCC[C@H]3c3nc(-c4ccccc4)no3)cc12 71862779 LULIPPXRUSEKBG-KRWDZBQOSA-N 389.415 3.949 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2C)c2c(C)cc(C)cc21 9872569 RGYUPSKSIFPJLB-HSZRJFAPSA-N 381.472 3.594 0 40 GHAB CC(C)C[C@@H]1C[C@@H](C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CC(=O)N1 95468818 ZJKZHLXSSAYGED-UYAOXDASSA-N 396.535 3.934 0 40 GHAB CS(=O)(=O)Nc1cc(C(=O)Nc2nc(-c3cccs3)cs2)ccc1F 95939000 XQMMSCQRPWGRHW-UHFFFAOYSA-N 397.478 3.635 0 40 GHAB COc1ccc(C)cc1CN(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 9918580 YJYIDOZCMXPUTE-UHFFFAOYSA-N 398.478 3.654 0 40 GHAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 408677327 CMYYPMIPRSCLFP-UHFFFAOYSA-N 377.462 3.796 0 40 GHAB O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)Nc3ccccc3Cl)cc21 64959268 YNMFLYLYGQBZFZ-LLVKDONJSA-N 382.803 3.786 0 40 GHAB CC(C)(C)C(=O)NC(=S)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 408629120 ZOXHSYFGNUHEHJ-UHFFFAOYSA-N 387.896 3.933 0 40 GHAB Fc1ccc([C@@H]2CC[C@H]2c2nc(-c3cnc(OCC(F)F)cn3)no2)cc1 528184197 XWYOLGNYBOVYJJ-QWHCGFSZSA-N 376.338 3.971 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cccc(C)c3C)n2)c1 219311848 JTWGAMLUJHTNFB-MRXNPFEDSA-N 395.459 3.788 0 40 GHAB C[C@H](Oc1ccccc1NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 539525018 AYMHNDSLIOXJAD-HNNXBMFYSA-N 396.468 3.726 0 40 GHAB O=C(Nc1nnc(SCc2ccccn2)s1)c1cc(-c2ccco2)on1 70635138 SAIDCZCASHFFNK-UHFFFAOYSA-N 385.430 3.726 0 40 GHAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)c1 35684656 USULGYOPSFFCPN-SFHVURJKSA-N 389.415 3.680 0 40 GHAB O=C1C[C@@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1Br 36635824 XVJACDQTXHBADC-CYBMUJFWSA-N 379.641 3.847 0 40 GHAB O=C(Cc1cccnc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 72358822 UFWGXTNMBSAMQU-SFHVURJKSA-N 376.435 3.626 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(S(C)(=O)=O)cc1 219551773 XMNLSBIHPFIBCJ-UZLBHIALSA-N 389.517 3.742 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)c3ccccc3N[C@@H]2CC(C)C)cc1 49550950 RIRYSLFNNDPZQY-FQEVSTJZSA-N 394.475 3.524 0 40 GHAB CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1ccc(F)cc1Cl 224356636 MSYFIKYXFFQBIG-UHFFFAOYSA-N 377.851 3.578 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCC1CCN(Cc2ccsc2)CC1 43953932 YTBRZSCVXUCKBI-UHFFFAOYSA-N 398.981 3.733 0 40 GHAB CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc2ccccc2c1 225053152 FDODZHBAOSHFLU-UHFFFAOYSA-N 387.432 3.737 0 40 GHAB CCOCC(=O)Nc1cnc(C)n1-c1nc(-c2ccc(Cl)cc2)cs1 41124314 QGGIYSLXNISRBH-UHFFFAOYSA-N 376.869 3.933 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C(=O)O)c3ccccc3)s2)cc1 49549356 LIPDGCARWFUZLZ-MRXNPFEDSA-N 382.441 3.683 0 40 GHAB C[C@H]1CCCCN1c1cc(N2CCCC2)nc(NC(=S)NC2CCCC2)n1 226005218 JZWINBDBHDTYBE-HNNXBMFYSA-N 388.585 3.685 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2ccccc2-n2cnc3ccccc3c2=O)cc1 40286416 FKKKKJNDZZWJJL-UHFFFAOYSA-N 398.422 3.596 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cccc(Cl)c1 224665139 AQWDVHQIGSARIA-MRXNPFEDSA-N 388.895 3.662 0 40 GHAB CN(C)CCCNC(=O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96037802 IRNVEYPGQJOAKS-UHFFFAOYSA-N 390.443 3.831 0 40 GHAB COc1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 141040336 UDDOMXRTUAGFPF-UHFFFAOYSA-N 376.261 3.836 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)nc(O)n1 257218742 DEGVHETYNGGELW-KRWDZBQOSA-N 398.850 3.700 0 40 GHAB CCc1cnccc1[C@@H](C)NCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 543051852 GBVMFWLYTJNIGS-CQSZACIVSA-N 385.489 3.553 0 40 GHAB CNC(=O)c1sc2nc([C@H]3CCCCN3C(=O)c3ccccc3)ccc2c1N 257226860 FMMCERXIAUXGAF-MRXNPFEDSA-N 394.500 3.606 0 40 GHAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCN(C)c2ccc(Cl)cc21 622819080 FGIGMMTZKRIUIE-CRAIPNDOSA-N 388.899 3.507 0 40 GHAB O=C(NCc1ccc(N=c2cc[nH]cc2)cc1)c1cc(C2CCCCC2)[nH]n1 1168513790 SGKWJCGASXSERF-UHFFFAOYSA-N 375.476 3.948 0 40 GHAB COc1ccc(CCNC(=O)c2cccc(Oc3ccccn3)c2)cc1OC 96122621 NKEWYEOEFVPFED-UHFFFAOYSA-N 378.428 3.864 0 40 GHAB O=S(=O)(Cc1cc(F)ccc1F)NC[C@@H](c1ccco1)c1cccs1 585147740 VUNDYBHCFDSZAG-AWEZNQCLSA-N 383.441 3.871 0 40 GHAB Cc1nc(/C=C/C(=O)N2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cs1 585289410 FTOBSMCUZBSWQN-SUEBBETASA-N 398.528 3.832 0 40 GHAB O=C(Oc1ccc(I)cc1)c1cc(F)c(F)c(F)c1 95932814 FFSPMKHPLGWJGQ-UHFFFAOYSA-N 378.087 3.928 0 40 GHAB Cc1cccn2c(=O)cc(CNc3cc(Cl)ccc3C(=O)N3CCCC3)nc12 98127132 JYVDSISFZFPWGN-UHFFFAOYSA-N 396.878 3.504 0 40 GHAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCC2 846893 PEVGGKUFOCXMRO-VQHVLOKHSA-N 385.441 3.794 0 40 GHAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccc1Br 5678924 UAJXMUYLBBFMFD-OAHLLOKOSA-N 387.277 3.745 0 40 GHAB CCOc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cnc(C(C)(C)C)nc1)CC3 12290562 CDFNALXBWXCUSL-UHFFFAOYSA-N 378.476 3.853 0 40 GHAB Cc1cc2nc(COc3cccc(NC(=O)c4ccc(F)cc4)c3)cc(=O)n2o1 13368453 AYFNLBOFSQMWCJ-UHFFFAOYSA-N 393.374 3.566 0 40 GHAB Cc1cc(C)n([C@@H](C)CC(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)n1 19573047 HVKXRRCIOOBWAB-HKUYNNGSSA-N 383.492 3.640 0 40 GHAB CCOc1ccccc1C(=O)Nc1ccc([C@@H]2C[C@H](NC(C)=O)CCO2)cc1 19711876 WCMHAZHMTDVKHW-NQIIRXRSSA-N 382.460 3.694 0 40 GHAB CCn1ncc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4F)c3)on2)c1C 19719271 YKRULCNRHCWHDO-UHFFFAOYSA-N 394.410 3.503 0 40 GHAB CN(C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 3555671 FJJDXNXMIFBPGD-IZZDOVSWSA-N 398.406 3.608 0 40 GHAB O=C(Nc1nc(C2CC2)cs1)c1cn(-c2ccccc2Br)nn1 31917914 VJGAAYYJFBLQLP-UHFFFAOYSA-N 390.266 3.616 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)c(C)c1 4077958 YAMAIBAKUVAHRH-UHFFFAOYSA-N 378.523 3.870 0 40 GHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)cc1OC 4279485 WGPYIAIGFKMXSC-HXUWFJFHSA-N 395.459 3.587 0 40 GHAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1 4939923 FWFDONXLOJNQFD-UHFFFAOYSA-N 388.471 3.849 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c1 5257322 IBHYWMMRIOQWPX-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1cccc2ccccc12 10333792 VCWVQGWSWRSTQO-HXUWFJFHSA-N 395.890 3.851 0 40 GHAB Cc1ccc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)cc1Cl 13702023 QBVBSGZEIQBYNH-UHFFFAOYSA-N 376.869 3.518 0 40 GHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)Nc1ccc(F)cc1 21882463 DJDCWQDDOOXEOU-UHFFFAOYSA-N 385.464 3.964 0 40 GHAB CCOc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1Br 4667069 SBPXKEVEGISDAY-GFCCVEGCSA-N 396.306 3.988 0 40 GHAB CCc1ccc(N2C[C@@H](c3noc(-c4cccc(N(C)C)c4)n3)CC2=O)cc1 44415865 KPTFHHQXFVBUNL-KRWDZBQOSA-N 376.460 3.886 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NC1CC1 36601917 LPQRXBMVNPONEO-ACJLOTCBSA-N 396.516 3.510 0 40 GHAB O=C(O[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccccc1NCCO 10498018 AFVAORRTRIKCDH-NRFANRHFSA-N 390.439 3.628 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 40023544 ZITCQBGDHFGVRS-UHFFFAOYSA-N 377.444 3.882 0 40 GHAB CC(C)N(CCNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(C)C 32244341 PBNTWRWNWDGBRK-JOCHJYFZSA-N 395.547 3.783 0 40 GHAB CCOc1cccc2cc([C@@H](C)NC(=O)c3cccc(S(C)(=O)=O)c3)oc12 32744961 GKYYYKRUMMJCHO-CYBMUJFWSA-N 387.457 3.726 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 2640644 PADGVSIZRVEEQM-UHFFFAOYSA-N 383.260 3.776 0 40 GHAB CCS(=O)(=O)c1ccc(NC(=O)c2occc2COc2ccccc2)cc1 21695007 KZQOAEDUVDDWBW-UHFFFAOYSA-N 385.441 3.905 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C(=O)OC(C)C)cc3)ccc12 943459 OBMLTKKJJHJOKA-UHFFFAOYSA-N 395.411 3.684 0 40 GHAB O=C(c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCCC1 980818 OFEHBFIBLVXPJC-QFIPXVFZSA-N 380.513 3.739 0 40 GHAB Cc1nc(SCC(=O)N2CC(=O)Nc3ccccc32)c2c(C)c(C)sc2n1 1357895 KPTQMGWODRQIAD-UHFFFAOYSA-N 398.513 3.694 0 40 GHAB Cc1csc(Sc2ccc(NC(=O)N[C@@H]3CCCC[C@H]3C(N)=O)cc2)n1 79095840 JXZIRKBKZROYQY-HUUCEWRRSA-N 390.534 3.768 0 40 GHAB COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccc(F)cc1 2703648 WMWSNMTUQCHLSK-LJQANCHMSA-N 381.403 3.741 0 40 GHAB CCOc1ccc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC2(C)C)cc1 2712967 MOSNHTVIMWJJJL-UHFFFAOYSA-N 399.878 3.745 0 40 GHAB COc1cccc(C2=NN(C(=O)c3ccccc3Cl)[C@](O)(C(F)(F)F)C2)c1 4009339 CEOKYKDZPQCQMT-QGZVFWFLSA-N 398.768 3.850 0 40 GHAB COc1cccc(NC(=S)N2CCC(NC(=O)c3ccccc3C)CC2)c1 4857619 NARXKVGTVRVADV-UHFFFAOYSA-N 383.517 3.595 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 7882058 WDXITKGRSOVNTI-APWZRJJASA-N 394.471 3.802 0 40 GHAB O=c1c2c(-c3ccc4c(c3)OCO4)ccnc2[nH]n1-c1nc2ccccc2s1 10338974 BBBXXSBCMSKYMJ-UHFFFAOYSA-N 388.408 3.719 0 40 GHAB CCc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 102733470 CYRQJDNTLWTTKX-LAUBAEHRSA-N 382.485 3.970 0 40 GHAB CC(=O)Nc1cccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1 10771395 ULFXJVWMXYXQMW-UHFFFAOYSA-N 394.471 3.658 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)N1CCCC1 8041627 RGRRGLAGGVUCTN-SFHVURJKSA-N 382.460 3.727 0 40 GHAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)N3CCc4ccccc4C3)nnc12 100265502 MPWNLPHXDUWSFK-OPAMFIHVSA-N 394.544 3.724 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)N1CCCC1 51529150 GLVQMNVBFAGPES-UHFFFAOYSA-N 392.377 3.959 0 40 GHAB CCCc1n[nH]c(SCc2csc(CC(=O)Nc3ccccc3C)n2)n1 54549133 NRDIJCUQKJAZAS-UHFFFAOYSA-N 387.534 3.996 0 40 GHAB COC(=O)C1(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCCCC1 24483482 IJQNPIJMGASYNM-UHFFFAOYSA-N 399.818 3.513 0 40 GHAB CCCN(Cc1ccccc1)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 24768931 OESUFBVFUZQYFA-UHFFFAOYSA-N 391.519 3.877 0 40 GHAB Cc1ccccc1C1(CNC(=O)N2CCC[C@H]2c2ccncc2)CCOCC1 56948121 JGKBLQCPZCBKCA-NRFANRHFSA-N 379.504 3.985 0 40 GHAB C[C@H](C(=O)NC1CCCCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57291865 CISCZAXCUDNCOQ-OAHLLOKOSA-N 383.458 3.665 0 40 GHAB O[C@@H](c1ccccc1)C1CCN(C(=S)Nc2ccc3c(c2)OCCO3)CC1 44103072 XARIOWDYJAHNGO-FQEVSTJZSA-N 384.501 3.600 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)C3CCCC3)cc2)cc1 53332952 JFKOXGNBYILVMY-UHFFFAOYSA-N 386.517 3.835 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1 10199485 KOTVSFXPZZZNJM-UHFFFAOYSA-N 393.443 3.554 0 40 GHAB CCCCN1C[C@@H](c2nc3ccccc3n2CC(=O)N(C(C)C)C(C)C)CC1=O 27792501 AFNLUHKMSZZFAZ-SFHVURJKSA-N 398.551 3.798 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)N2C(=O)[C@H](C)SC2=N1 2487098 LQHPFIIMFCVVHH-XHDPSFHLSA-N 378.881 3.940 0 40 GHAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2449017 JZOVRICZXKZXSJ-OXJNMPFZSA-N 391.423 3.526 0 40 GHAB C[C@]1(c2ccccc2)NC(=O)N(Cc2csc(-c3ccc(F)cc3)n2)C1=O 12898382 PIJPKLMTSRHYQS-HXUWFJFHSA-N 381.432 3.916 0 40 GHAB O=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1ccccc1Cl 3432505 QKEUMGCVCMONTC-UHFFFAOYSA-N 383.835 3.914 0 40 GHAB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccccc1 8748618 HBMRYXPRZXUAOS-HNNXBMFYSA-N 379.437 3.519 0 40 GHAB O=C(Nc1ccc2c(c1)CCC2)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3556229 KNMDPEKYAXXVTD-UHFFFAOYSA-N 398.528 3.992 0 40 GHAB COC(=O)c1ccc(COC(=O)c2cc(OC)ccc2Br)cc1 3520323 PQXRYHUTRIZKFY-UHFFFAOYSA-N 379.206 3.601 0 40 GHAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)Cc1ccc(Cl)cc1 12938187 MMOYHLVWZCLTGX-UHFFFAOYSA-N 398.812 3.833 0 40 GHAB COc1cccc(CC(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 12935144 DMKVGSIJFZKWQN-UHFFFAOYSA-N 383.444 3.648 0 40 GHAB COC(=O)c1cccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)c1 13012479 SYLZMEVPANSCCN-UHFFFAOYSA-N 386.404 3.900 0 40 GHAB CC(C)CN1CCC(NC(=O)N[C@H](C)c2ccccc2Br)CC1 49788394 AOJGFAMKSDVZFY-CQSZACIVSA-N 382.346 3.930 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Sc2nnc(C3CCCCC3)o2)cc1 6374164 XEIRVTJEYBIKCZ-ZDUSSCGKSA-N 375.494 3.923 0 40 GHAB COc1cccc(-c2noc(COC(=O)c3cc(C)nc4ccccc34)n2)c1 5355395 HOVOEXWAINNENN-UHFFFAOYSA-N 375.384 3.959 0 40 GHAB O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1ccccc1Cl 14184433 MWNVRLPFHJFFGE-UHFFFAOYSA-N 384.819 3.811 0 40 GHAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)o1 4556237 IKLYFYFUBQUXCU-JOCHJYFZSA-N 379.387 3.735 0 40 GHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc2c(c1)OCO2 6549558 FUHVCDQNZOMHOY-UHFFFAOYSA-N 379.441 3.848 0 40 GHAB Cc1cc(NC(=O)CCc2nc(-c3ccncc3)no2)ccc1Br 14399364 VDZKSWCZYPEAOA-UHFFFAOYSA-N 387.237 3.774 0 40 GHAB COc1ccc(-c2nn3c(COc4ccc(F)cc4)nnc3s2)cc1OC 6754607 RDNHPJPTARDQSH-UHFFFAOYSA-N 386.408 3.588 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 6811803 SVZWYWZYWWNJKY-OALUTQOASA-N 393.516 3.855 0 40 GHAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)N(CCc1ccccc1)Cc1cccnc1 66942728 DMEBMQWRXNWOPJ-KNQAVFIVSA-N 382.504 3.627 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1Cl 9077057 PCJYWLJSQQLXHR-UHFFFAOYSA-N 388.670 3.758 0 40 GHAB Cc1nnc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)o1 6994412 QTTUROYVYXQVON-UHFFFAOYSA-N 376.873 3.505 0 40 GHAB Cc1csc([C@](O)(CC(=O)NC23CC4CC(CC(C4)C2)C3)C(F)(F)F)n1 67708222 IGKSVWNSGLALPW-COCYGOQVSA-N 388.455 3.677 0 40 GHAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC(F)F)cc2)c1 15993346 NBTMHRLKKIFIBH-UHFFFAOYSA-N 398.431 3.569 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2)n1 7814894 YVDUMQWKDWHUHG-UHFFFAOYSA-N 394.500 3.781 0 40 GHAB COC(=O)c1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1 7813664 GAFXJOQNRZJOBT-UHFFFAOYSA-N 379.456 3.631 0 40 GHAB Cc1ccccc1CC(=O)N1CCOC[C@H]1c1c(C)nn(CC(F)(F)F)c1C 96002583 DLMKJAVJIAETOK-KRWDZBQOSA-N 395.425 3.513 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 8262929 VMXRNDHYDFWEOM-SFHVURJKSA-N 377.893 3.933 0 40 GHAB Cc1cc(NC(=O)CCn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)no1 71834244 RXKGUXJKLUZBIP-UHFFFAOYSA-N 392.390 3.528 0 40 GHAB O=C(c1cc2cccc(Cl)c2s1)N1CCn2c(nnc2C(F)(F)F)C1 72404048 HVCIKGOVYVZSBP-UHFFFAOYSA-N 386.786 3.821 0 40 GHAB Cc1cccc(C)c1N(CC(=O)Nc1ccc2ccccc2c1)S(C)(=O)=O 22273726 CZYAAFIKBUXKLX-UHFFFAOYSA-N 382.485 3.861 0 40 GHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 95482511 YHSDOORKUXKFCG-IBGZPJMESA-N 395.459 3.836 0 40 GHAB CCC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1cc(OC)ccc1OC 95945187 PEZOANRERILIPO-IBGZPJMESA-N 398.459 3.809 0 40 GHAB COC(=O)c1sccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 29049956 DPTYHVVXSDJIDW-UHFFFAOYSA-N 381.866 3.795 0 40 GHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)N[C@@H](C)c1ccco1 22133543 FDQRFFHRIHAMMM-LBPRGKRZSA-N 392.477 3.668 0 40 GHAB O=C(COC(=O)c1ccc(F)cc1Cl)NCc1ccc(C(F)(F)F)cc1 67198210 BGFOTFCZVMASFR-UHFFFAOYSA-N 389.732 3.971 0 40 GHAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)N(C)C2=S)cc1 409029558 BMOMGDWKHNKERR-ATVHPVEESA-N 398.484 3.707 0 40 GHAB COc1cccc(NC(=O)CNC(=O)c2ccc(COc3ccc(C)cc3)o2)c1 408559618 ADHBLUHVXXDQTB-UHFFFAOYSA-N 394.427 3.544 0 40 GHAB O=C1N/C(=C/c2ccc(Br)s2)C(=O)N1Cc1ccc(F)cc1 409011288 GXAVQSYBABKYAK-KPKJPENVSA-N 381.226 3.743 0 40 GHAB CN1CCC(C(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)CC1 72350377 KMGRUOIYCFMLDD-GOSISDBHSA-N 381.495 3.936 0 40 GHAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 219314733 OWJFUKBQASWAQA-OALUTQOASA-N 389.517 3.823 0 40 GHAB COc1ccc(CCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1C 225632173 GPPPUXRQRMEZOA-UHFFFAOYSA-N 379.460 3.953 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1Cl 42645537 OTRBLFMTGYFRRA-UHFFFAOYSA-N 396.896 3.678 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(OC)cc1 222495908 XDJWYLZVKWOZGU-QFIPXVFZSA-N 396.531 3.878 0 40 GHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)c(OC)c1 224823797 ZAFKSZQETZOULZ-VQTJNVASSA-N 394.500 3.912 0 40 GHAB CCc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(C)cc1)S(C)(=O)=O 44885681 SVRYEOYZZQLYQO-IBGZPJMESA-N 388.533 3.591 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225758118 CJZWPBMPJVWOIM-HNNXBMFYSA-N 396.516 3.691 0 40 GHAB CCN(CC)C(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl 224338622 PGYJRBUNDBDOBI-UHFFFAOYSA-N 394.924 3.956 0 40 GHAB O=C(Nc1ccc(OC(F)F)cn1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 582709605 JAGUEZAZRXPNEE-ZACQAIPSSA-N 389.402 3.719 0 40 GHAB CC(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1cccs1 514288731 BDWSLUHUDZKLRX-IRFCIJBXSA-N 378.582 3.967 0 40 GHAB biogenic,in-vitro CC(C)Oc1ccc(N2C[C@@H](C(=O)NCc3ccccc3Cl)CC2=O)cc1 243339552 LSBGEISLNJTONO-INIZCTEOSA-N 386.879 3.797 0 40 GHAB CC(C)[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F)c1nnc2ccccn12 527720371 PCDDRTQQSWPSNC-OFQRWUPVSA-N 389.450 3.788 0 40 GHAB CCc1n[nH]c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N[C@@H]3Cc2ccccc2)c1C 257286848 PNIAOEKGEAXQRO-FPFQSLQCSA-N 392.547 3.637 0 40 GHAB c1cc(Nc2cnccn2)nc([C@H]2CN(Cc3cccc4ncccc34)CCO2)c1 257208821 BNSCDRSIUGKWPL-OAQYLSRUSA-N 398.470 3.737 0 40 GHAB CC(=O)N1CCCCC[C@@H]2N(C(=O)c3ccno3)[C@H](c3ccccc3)C[C@@]21C 257300545 RURHBUNAVAXVKF-VCOUNFBDSA-N 381.476 3.812 0 40 GHAB CC(=O)N[C@]12CCO[C@@H](c3ccc(F)cc3F)[C@@H]1C[C@H]1C[C@H]2[C@@H](C)NC1(C)C 257329303 XJHHCJCQTSDLSS-YAFTXEGKSA-N 392.490 3.714 0 40 GHAB CN(C)CCOc1cccc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)c1 585084640 YHTHINCLWFCBIL-UHFFFAOYSA-N 382.483 3.788 0 40 GHAB C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccnc(-c2cccc(Br)c2)n1 585138310 CWRROSGIRWOXOP-XHDPSFHLSA-N 388.265 3.850 0 40 GHAB COCCC(=O)N[C@@H]1C[C@H](c2ccc3c(c2)OCCO3)OC2(CCCCC2)C1 257235769 GZIOTVAZBCQZMD-IEBWSBKVSA-N 389.492 3.534 0 40 GHAB O=C(CCC(=O)N1CCCSC[C@H]1CN1CCCC1)c1ccc(Cl)cc1 90609005 RVKVMYRNXACVBM-GOSISDBHSA-N 394.968 3.733 0 40 GHAB CO[C@@H](C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@@H]1CCOC1 622830208 CNWUULHJDBJMAH-YLJYHZDGSA-N 378.428 3.999 0 40 GHAB C[C@@H](c1ccccc1)[C@@H](O)CNS(=O)(=O)c1cc2cc(Cl)ccc2s1 1663308987 NZOSWEFAKRWWEN-LRDDRELGSA-N 395.933 3.998 0 40 GHAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1Cn1cnc2snc(C)c2c1=O 649564016 AEFNTQHNLGQHRW-UHFFFAOYSA-N 399.907 3.725 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 96098308 OELIDCJOFUITIL-UJGDBWEASA-N 389.904 3.818 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1ccc(-c2cccs2)n1 96103860 JIIDZIVSKASDOK-UHFFFAOYSA-N 395.463 3.581 0 40 GHAB C[C@@H](Oc1ccccc1)c1noc(-c2ccc(=O)n(-c3ccc(F)cc3)n2)n1 545734763 VZCKCUAYLWZRGE-CYBMUJFWSA-N 378.363 3.562 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2C)cc1 5557785 CKVDQEKGXIGWKQ-UHFFFAOYSA-N 387.242 3.709 0 40 GHAB COc1ccc(-c2cccc(NS(=O)(=O)c3cc(C)c(C)cc3C)c2)nn1 5204168 VGIBZYWTCLMCCB-UHFFFAOYSA-N 383.473 3.878 0 40 GHAB CCOc1ccc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)nn1 5204323 GUEDLTSBRPQTSN-UHFFFAOYSA-N 389.864 3.997 0 40 GHAB CC(C)(C)c1ccc2c(c1)OC[C@H](C(=O)N1CCC(c3ccncc3)CC1)O2 12117389 QLWOKZLFURINHA-OAQYLSRUSA-N 380.488 3.925 0 40 GHAB COc1ccccc1CNC(=O)CCn1c(-c2ccccn2)cc2cccnc21 12222698 YBFGFCRTYJCRRB-UHFFFAOYSA-N 386.455 3.813 0 40 GHAB CCOc1ccc(C(=O)c2cnc3ccc(OC)cc3c2N2CCOCC2)cc1 12437813 UDJOKWBXBFKAGU-UHFFFAOYSA-N 392.455 3.710 0 40 GHAB Cc1ccn2cc(-c3ccc(C)c(NC(=O)CNC(=O)c4ccco4)c3)nc2c1 13568829 NYXMYIMXRJHHBX-UHFFFAOYSA-N 388.427 3.580 0 40 GHAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1C 13670406 NKKGXZYYIHTAEB-ACCUITESSA-N 399.443 3.849 0 40 GHAB CC(C)(C)c1cc2nccc([C@H]3CCCN3C(=O)COc3ccc(F)cc3)n2n1 19084315 XCFIIXZTWGGTMF-QGZVFWFLSA-N 396.466 3.908 0 40 GHAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nn(C)cc2-c2cc(C)no2)cc1 19209655 XVKUMHHTZNGOBG-LJQANCHMSA-N 378.476 3.988 0 40 GHAB O=c1c2sccc2nc2n1CCN(Cc1ccc(Cl)c(Cl)c1)CC2 19292991 YGSSQAUIVNQSMF-UHFFFAOYSA-N 380.300 3.823 0 40 GHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)CC(C)C)C1 19446359 DMABLDDUOLZMSU-XMMPIXPASA-N 393.531 3.692 0 40 GHAB Cc1nn(C(C)C)c(C)c1CN1CCC(c2cc(O)nc(N3CCCC3)n2)CC1 19577449 DRRYLWVDMGFINA-UHFFFAOYSA-N 398.555 3.556 0 40 GHAB Cc1cc(Cc2ccc(Cl)cc2)cc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 19690921 TYKZBAXEHWHNAE-LJQANCHMSA-N 393.940 3.578 0 40 GHAB CN(C)Cc1cc(C2CCN(C(=O)c3cc(C4CCCCC4)no3)CC2)[nH]n1 19708927 WRCDFDLDTHZNAS-UHFFFAOYSA-N 385.512 3.527 0 40 GHAB COc1ccccc1-c1nnc(CSc2nnc(COc3ccccc3)o2)o1 19929083 PBMNIVARMAYBAO-UHFFFAOYSA-N 396.428 4.000 0 40 GHAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1cccc2ccccc12 19930529 VBTXYGPJALONTR-UHFFFAOYSA-N 394.496 3.852 0 40 GHAB COC(=O)[C@@H](C)Oc1ccc2oc(=O)c(-c3cc(OC)ccc3OC)c(C)c2c1 4088995 CMTDJPKTGMCUMX-CYBMUJFWSA-N 398.411 3.726 0 40 GHAB biogenic C[C@@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 118914662 KFMBVCVREUOCAU-WUHUDHMTSA-N 376.537 3.864 0 40 GHAB COCCCN1COc2ccc3c(=O)c(-c4ccccc4OC)coc3c2C1 12442561 GQAMMIUWAWGGGG-UHFFFAOYSA-N 381.428 3.657 0 40 GHAB biogenic COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccccc1 24222076 CNIBFYCWCPWVRM-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB CCn1cc(CN2CCC[C@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)cn1 1614946005 RTCQNUHXGRAAHU-QHCPKHFHSA-N 380.536 3.759 0 40 GHAB Cc1nc(C)c(CN2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)s1 2087128257 RRTYLIGWUMJXCH-UKRRQHHQSA-N 382.455 3.884 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1 5136512 WSWAMFVHYSBSOX-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB COc1ccccc1NC(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O 5269493 PVTTXQVZRUBOOF-UHFFFAOYSA-N 386.810 3.950 0 40 GHAB CCOc1ccc(N2C[C@@H](CNC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 9039460 RDNGIQYEUKKGHB-CQSZACIVSA-N 387.867 3.913 0 40 GHAB CCc1ccc(C(=O)Cn2nc(-c3ccco3)c3sc(C)nc3c2=O)cc1 13010553 NPGFFEXGSFGLEH-UHFFFAOYSA-N 379.441 3.867 0 40 GHAB COc1ccccc1C1(CNC(=O)c2c(F)cccc2Cl)CCOCC1 16969914 MSLSLZANBQBITI-UHFFFAOYSA-N 377.843 3.966 0 40 GHAB CCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(C(C)C)cc3)ccc21 22732811 PPPXRCBZBZSPER-UHFFFAOYSA-N 393.531 3.880 0 40 GHAB Cc1cc(C)n(CCN(C(=O)C2CC2)c2nc3c(F)cc(F)cc3s2)n1 35597619 NHGBJJAPMNYACW-UHFFFAOYSA-N 376.432 3.831 0 40 GHAB CCN1c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc21 195762520 GAYTWVJPIWOSDS-UHFFFAOYSA-N 377.563 3.535 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1cncc(Br)c1 585148314 YAMKRBQNTAXHMC-MRXNPFEDSA-N 387.233 3.568 0 40 GHAB C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)N(c1nccs1)C1CCCCC1 10421991 NBYXTZYNLQZJPX-GFCCVEGCSA-N 394.570 3.731 0 40 GHAB COc1cc(C(=O)N2CCn3cccc3[C@H]2C)ccc1OCc1cscn1 30260551 YSNOJKKOPSMOJM-CQSZACIVSA-N 383.473 3.749 0 40 GHAB CC(C)(C)c1nnc(NC(=O)c2ccccc2I)s1 806021 ZRVWIJGWLUGRBW-UHFFFAOYSA-N 387.246 3.693 0 40 GHAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)NC1CCCCC1 2782268 GIRJQKKRCXQFFR-SECBINFHSA-N 382.224 3.983 0 40 GHAB COc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3ccccc3n2)c(OC)c1 2757005 APCAKLARINKQSH-INIZCTEOSA-N 392.455 3.828 0 40 GHAB C[C@@]1(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)CC1(Cl)Cl 21711383 IUMAHZSOTFOSCG-KRWDZBQOSA-N 381.259 3.831 0 40 GHAB COc1cc([C@@H]2C[C@](C)(OC)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 1591359 DSHYVNYWJOQSQQ-LHSJRXKWSA-N 388.416 3.718 0 40 GHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c1 1941453 JINXZCGBZXKCCA-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB CCCCNC(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 2642371 LEPDCVBLQKESEH-UHFFFAOYSA-N 392.455 3.984 0 40 GHAB CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@](=O)C2 2724873 TXTUIQBGTDKKSI-NDEPHWFRSA-N 395.484 3.594 0 40 GHAB Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c(Br)c1 2763428 WZYJXMVTIMGQSD-UHFFFAOYSA-N 376.176 3.920 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1OC 16999196 OTKDUGJZCNABSE-CQSZACIVSA-N 396.443 3.986 0 40 GHAB Cc1csc(C2=C(O)CN(c3cccc(I)c3)C2=N)n1 102727814 SAAIYPFZCGVYHO-UHFFFAOYSA-N 397.241 3.823 0 40 GHAB COc1cc(/C=C2/C(=O)N(Cc3ccccn3)C(=O)c3ccccc32)ccc1O 33039455 NDMVXYSHYMJOAF-XDHOZWIPSA-N 386.407 3.519 0 40 GHAB Cc1ccc(CC(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2ccc(F)cc2)cc1 4893196 YWWZGRYPJFBVFB-GOSISDBHSA-N 380.341 3.673 0 40 GHAB C[C@H]1CCCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)C1 6144210 CHQRQYAQKRCZSF-HNNXBMFYSA-N 382.489 3.667 0 40 GHAB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 6370983 FUXREVHFGGDCRH-JTQLQIEISA-N 377.322 3.766 0 40 GHAB Cc1ccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c(C)c1 6876380 PIANZAITMSRMRX-UHFFFAOYSA-N 380.400 3.842 0 40 GHAB CCCNC(=O)NC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 6910367 WWMJREAYJWPYQB-UHFFFAOYSA-N 393.538 3.733 0 40 GHAB CCOc1c(Br)cc(CNC[C@H](O)c2ccccc2)cc1OC 22076013 SRPKFIXPAHANPW-INIZCTEOSA-N 380.282 3.680 0 40 GHAB COc1ccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)cc1 794887 WZXMJIYCTKSBPK-UHFFFAOYSA-N 388.423 3.617 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 104022310 PWRDREKPXBQYHO-XSWJXKHESA-N 388.489 3.635 0 40 GHAB COCCn1c(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2ccccc21 104105197 MMSHLOPLBBIOIH-QAETUUGQSA-N 387.549 3.716 0 40 GHAB CCn1c(=O)c2cc(Br)ccc2n(Cc2ccccc2Cl)c1=O 9935430 MMQKTIAQRBSLKI-UHFFFAOYSA-N 393.668 3.647 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1 12522300 GUNCKJWPYJHJOC-UHFFFAOYSA-N 378.394 3.814 0 40 GHAB CCc1nn2c(=O)cc(CN[C@@H](c3ccccc3)c3cccs3)nc2s1 23805148 QODIPPFSARQSSW-SFHVURJKSA-N 382.514 3.654 0 40 GHAB COc1ccc(S[C@H](C)C(=O)NCCSCc2ccco2)cc1OC 20489585 DAXZSOJYFKULPE-CYBMUJFWSA-N 381.519 3.827 0 40 GHAB CCCc1nnc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)s1 24573242 RTTJVZCORZVZBM-UHFFFAOYSA-N 399.442 3.760 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 23137297 ACHBDFVMINKCAJ-INIZCTEOSA-N 397.500 3.515 0 40 GHAB C[C@H](C(=O)c1ccc(Cl)cc1)[C@]1(O)C(=O)Nc2ccc(Br)cc21 1320408 WZQFPNZOFQTJPS-VVVCHXIZSA-N 394.652 3.761 0 40 GHAB CCN(c1ccc(C(=O)Nc2ccccc2SC)cc1)S(=O)(=O)CC 113972257 FRFZTZBKNFFXHK-UHFFFAOYSA-N 378.519 3.837 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc(Cn3cccn3)cc2)cc1 12626098 NTRDKEJUQMQVAV-UHFFFAOYSA-N 377.488 3.924 0 40 GHAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)n1 48230887 RIZWBZXTPLSIRD-CQSZACIVSA-N 386.496 3.913 0 40 GHAB COC(=O)c1cc(CN(C)C(=O)c2cccc(-n3ccnc3SC)c2)oc1C 44384280 UODCRXWWDNUTEX-UHFFFAOYSA-N 399.472 3.554 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nccn2-c2ccccc2)c1C 27487363 XFXKXDSVDUQTHR-CQSZACIVSA-N 383.473 3.967 0 40 GHAB CC(C)(C)OC(=O)NCC1CCN(C(=O)COc2ccc3ccccc3c2)CC1 58166923 LODNIXKMVCUXGM-UHFFFAOYSA-N 398.503 3.982 0 40 GHAB O=C(CCc1ccc(-c2ccccc2F)o1)N1CCN(c2nccs2)CC1 10270379 IMDFKGALTMRJPS-UHFFFAOYSA-N 385.464 3.824 0 40 GHAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccnc4)o3)CC2)on1 100155859 MDZIVNYLNAYZRX-GASCZTMLSA-N 395.463 3.947 0 40 GHAB O=C(Nc1ccccc1O)C1CCN(Cc2ncc(-c3ccccc3)o2)CC1 12791477 NWDIOWHIIQTYON-UHFFFAOYSA-N 377.444 3.898 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(NC(=O)c2cccs2)c1 8391158 QEFJFLWXMUQQED-UHFFFAOYSA-N 380.425 3.659 0 40 GHAB CCCn1c(NC(=O)c2cccc(CN3CCCC3=O)c2)nc2ccccc21 29474570 QCWKZVGISTZNKW-UHFFFAOYSA-N 376.460 3.821 0 40 GHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C 17058571 JMPAIBMAAPIQTC-IEBWSBKVSA-N 395.459 3.613 0 40 GHAB Cc1ccc(-c2nc(C)sc2CC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 12922741 CWFKKUXENBTLRM-UHFFFAOYSA-N 381.501 3.591 0 40 GHAB Nc1ccccc1SCC(=O)OCC(=O)c1ccc(Br)cc1 3666147 CAQJKEHFAGGZAS-UHFFFAOYSA-N 380.263 3.550 0 40 GHAB O=C(Nc1cccc(Br)c1)[C@H]1CCCN(C(=O)c2ccco2)C1 13009382 WERXUYJCAIKDCR-LBPRGKRZSA-N 377.238 3.533 0 40 GHAB O=C(NCc1ccccc1Cl)C1CCN(c2ccc(-c3ccco3)nn2)CC1 23143400 DZCKVFMIJGTZBU-UHFFFAOYSA-N 396.878 3.923 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCC(c2nc3ccccc3o2)CC1 8401232 VAUMMLBXSGZEKN-UHFFFAOYSA-N 382.485 3.885 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CSc2nc(CCC3CCCC3)n[nH]2)c1 8709455 KKCHUDSGWHYTSW-UHFFFAOYSA-N 387.509 3.617 0 40 GHAB CCOC(=O)[C@@H](CSC(=O)c1cccc(Cl)c1)NC(=O)OC(C)(C)C 4014082 DCCGHTQOVPPDKL-CYBMUJFWSA-N 387.885 3.670 0 40 GHAB CC(=O)Nc1ccc(N2C(=O)C/C(=C\C3=Cc4ccccc4O[C@H]3C)C2=O)cc1 13654372 QKWKKWZZVMTHFX-QCUKBLKESA-N 388.423 3.699 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccc(Cl)cc1 6078637 GJADOTLRQLHJFL-UHFFFAOYSA-N 394.287 3.915 0 40 GHAB COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccccc3C(F)(F)F)C2)c1 5030280 DORURYAPYUMNHY-QGZVFWFLSA-N 394.349 3.854 0 40 GHAB COc1ccc(C(=O)Nc2nc3sc(C)c(C)c3c(=O)s2)cc1OC 4393877 RYDYSGNOIUZIFO-UHFFFAOYSA-N 376.459 3.604 0 40 GHAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 4476812 JNFHTFSJTUTSOO-FOOFDJGMSA-N 380.488 3.548 0 40 GHAB CCCc1ccc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cc1 14083941 VWZNTYGJZQTVHT-DEOSSOPVSA-N 390.483 3.996 0 40 GHAB O=C(NC1CCCCC1)[C@H]1CCCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 65554682 ZTCZIXZBNSDFHI-QFBILLFUSA-N 398.469 3.900 0 40 GHAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3cccnc3)ccc12 5321499 CFPVJSMHDZOZHX-OAHLLOKOSA-N 380.444 3.533 0 40 GHAB CCNC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CCCC2 5346960 LUICJGQAHQMISC-UHFFFAOYSA-N 396.468 3.735 0 40 GHAB Cc1ccc(-n2nc(CO)c(C(=O)N[C@@H](C)CCCc3ccccc3)n2)cc1C 8613615 LWRADENOURGEKH-SFHVURJKSA-N 392.503 3.518 0 40 GHAB COc1cccc(CN(C)C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1 6650213 PGQVRUYKKBEDBE-UHFFFAOYSA-N 382.504 3.771 0 40 GHAB CCC(C)(C)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 4731888 NUTQVFSJWFGKEF-NSHDSACASA-N 392.912 3.871 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(O)cc2)N1Cc1cccnc1 6744603 KWRNHWIEXSAUHC-QFIPXVFZSA-N 398.422 3.628 0 40 GHAB Cc1ccc(Nc2nc(CN3Cc4ccccc4C[C@H]3C(N)=O)cs2)cc1 15027433 LJJQKGPNSQNZEN-IBGZPJMESA-N 378.501 3.607 0 40 GHAB COc1cc([C@H]2CC(=O)Nc3[nH]nc(Nc4ccccc4)c32)cc(OC)c1OC 15086029 SQIPGKOWSILHFN-CQSZACIVSA-N 394.431 3.653 0 40 GHAB Cc1cccc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)c1C 15190257 UEXPLAQXXZFXDM-UHFFFAOYSA-N 391.397 3.948 0 40 GHAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccccc4F)c3C)ns2)cc1 6914451 WGDXNRNBNSRAAQ-UHFFFAOYSA-N 394.435 3.794 0 40 GHAB CC[C@H](C)Sc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)s1 4975602 MGCVWGOAMMZYIM-QWHCGFSZSA-N 390.534 3.729 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2Br)c1 7057172 NDZSVCTYJXGXNL-UHFFFAOYSA-N 386.267 3.576 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1 67323576 WZRRCEIUOMYPSI-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1 7961380 FBWIVANTYCHURS-UHFFFAOYSA-N 386.835 3.814 0 40 GHAB CC(=O)c1ccccc1NC(=O)CCCSc1nnc(C(F)(F)F)n1C 16865833 UHQKCZQDEXJGEP-UHFFFAOYSA-N 386.399 3.548 0 40 GHAB CCC1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 408707155 HIMRBLZQCUQBGN-NPCAHTBFSA-N 393.325 3.887 0 40 GHAB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1cccc(Br)c1)C2=O 19320097 LBTUJFBZKWXWJX-UHFFFAOYSA-N 391.353 3.946 0 40 GHAB biogenic CCN(CC)c1ccc2cc(C(=O)NC(C)=O)/c(=N/c3ccccc3)oc2c1 9435150 SSNNDOIQMLPXLD-GYHWCHFESA-N 377.444 3.788 0 40 GHAB C[C@H](OC(=O)CCc1nc(C2CC2)no1)c1nc2ccccc2n1C(F)F 84667839 HYFBKCRZYRWIFC-JTQLQIEISA-N 376.363 3.929 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 306136607 PYAFUJYCNMBQKU-IBGZPJMESA-N 398.470 3.515 0 40 GHAB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NCc1ccco1 408560110 AWDBIOIFHSSHTK-UHFFFAOYSA-N 392.484 3.561 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3ccsc3)C[C@@H]2N1Cc1ccc(F)cc1 306143104 XTIQFCLEPXALJV-PMACEKPBSA-N 381.476 3.770 0 40 GHAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1OCC 38756403 MUXNETBTSGICRW-IBGZPJMESA-N 387.476 3.966 0 40 GHAB CCn1nnc(NCc2ccc(-c3ccc(Br)cc3Cl)o2)n1 32617011 GRNAFNSEQBYYTM-UHFFFAOYSA-N 382.649 3.981 0 40 GHAB O=C(CN1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1)Nc1nccs1 72348901 VTTYDTPLGOXPCT-SFHVURJKSA-N 392.528 3.947 0 40 GHAB COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)C3)c3c(C)nn(C)c3n2)cc1 36615953 MJSMJPJXCWQUBU-CQSZACIVSA-N 378.476 3.824 0 40 GHAB O=C(c1ccc(Br)cc1F)N1CCCN(Cc2cccs2)CC1 36396286 SLBZOMBJCNPAND-UHFFFAOYSA-N 397.313 3.998 0 40 GHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cncc(C(F)(F)F)c1 563650822 PVXOASKYDNQKIB-UHFFFAOYSA-N 396.756 3.776 0 40 GHAB O=C(c1cscn1)N1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1 72362642 MBHBZGBJEONJHC-ZDUSSCGKSA-N 384.436 3.884 0 40 GHAB O=C(c1cscn1)N1CCC[C@H](c2cncc(Oc3cccc(F)c3)n2)C1 72362644 RPJHORHDEZGATL-ZDUSSCGKSA-N 384.436 3.884 0 40 GHAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1oc2ccccc2c1C 72324166 AREXIDSTFLKNIX-MRXNPFEDSA-N 375.428 3.660 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CC2)c1 48277607 QZXTUIJPNWZQEN-UHFFFAOYSA-N 394.290 3.619 0 40 GHAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 223624299 QGYGVMBPVWZZSC-WOJBJXKFSA-N 384.549 3.743 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1 223589717 PWMQTAHOIOIPBJ-UHFFFAOYSA-N 389.502 3.588 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 225100575 OXMUTEVWCHSPPW-NRFANRHFSA-N 382.504 3.707 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 224738745 OOBZIZBHSQCCOO-LJQANCHMSA-N 382.504 3.626 0 40 GHAB CCOc1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1Cl 224215062 FUMQRRUJPIUNGV-UHFFFAOYSA-N 387.823 3.727 0 40 GHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N)cc2Br)cc1C 226238175 ZNQVMILJAHDINI-UHFFFAOYSA-N 378.295 3.775 0 40 GHAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2cc(Cl)ccc2Cl)c1 40095834 SJNIZRSOWYWWPG-HNNXBMFYSA-N 385.247 3.866 0 40 GHAB COc1ccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)cc1Cl 225646275 AGHOMXRTJROOOD-UHFFFAOYSA-N 389.908 3.962 0 40 GHAB O=C(N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1)c1cccs1 145247039 BNKLRYPCKHKVII-GFCCVEGCSA-N 398.720 3.648 0 40 GHAB Cc1c([C@H]2SCC(O)=Nc3c2cnn3-c2ccc(F)cc2F)cnn1C 95476938 SQWGNCLDLYFIBX-MRXNPFEDSA-N 375.404 3.617 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607549 ZLYFCMQESCPQGK-UHFFFAOYSA-N 382.357 3.852 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1CCCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211519 RAMLVKMHFFHBQJ-UHFFFAOYSA-N 385.471 3.911 0 40 GHAB CN1CCN(C(=O)C2CCCCC2)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 257314849 UYTVWEQGDXXFRV-JOCHJYFZSA-N 391.515 3.541 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N2CCc3ccccc3C2)[C@@H]1c1ccccc1F 257317587 VKKFTBKQJRGAGZ-KNQAVFIVSA-N 380.463 3.710 0 40 GHAB COc1cc(C(=O)N2CCc3sccc3C2)cc(OC)c1Br 10924059 FPNRUUZBQFEVRR-UHFFFAOYSA-N 382.279 3.726 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2cnccn2)CC1 90607674 GRCCVNRFJLCKBY-UHFFFAOYSA-N 398.850 3.777 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)o2)cc1 298268402 CMPHJQUEHPVKFI-HNNXBMFYSA-N 383.473 3.927 0 40 GHAB Cc1cc(C(=O)O)cc(C)c1OS(=O)(=O)c1ccc(Br)cc1 575415148 UJTUDYNXFOVFGO-UHFFFAOYSA-N 385.235 3.532 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)C1 57379131 CEDGRCNVFAYBKW-GJZGRUSLSA-N 390.480 3.745 0 40 GHAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)sc2c1 5203037 IVHJJIVBNUVDOA-UHFFFAOYSA-N 380.878 3.763 0 40 GHAB Cc1ccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 5397992 VOIHOFYCSULWJD-UHFFFAOYSA-N 398.260 3.620 0 40 GHAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1ccccc1 12017419 CTKZRGNTAQNXDM-CEXWTWQISA-N 376.437 3.799 0 40 GHAB O=C(C1c2ccccc2Oc2ccccc21)N1CCC(O)(c2ccccn2)CC1 12114617 CXSOOBKWOMMVGC-UHFFFAOYSA-N 386.451 3.829 0 40 GHAB COc1ccc2c(c1)NC1(CCN(C(=O)c3c(C)noc3C)CC1)c1cccn1-2 12117297 KLEYFQIHRXRPRL-UHFFFAOYSA-N 392.459 3.648 0 40 GHAB CCOC(=O)[C@@]12CC=CCN(C(=O)c3ccc(CN(CC)CC)o3)[C@@H]1CCC2 12183430 YEIYXJWTIHTJOP-DENIHFKCSA-N 388.508 3.626 0 40 GHAB CC[C@H](CN1CCCC1)NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 12362863 GAIRHVNEJHDYFO-MRXNPFEDSA-N 377.941 3.997 0 40 GHAB Cc1cccc(OCCN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 12553245 CBJWYKDCYPTZNQ-UHFFFAOYSA-N 382.382 3.843 0 40 GHAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc2c(c1)OCCO2 12581998 WBKVOWUVLGHLCM-LESCRADOSA-N 376.449 3.619 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 13632884 BHWIVBAVRPGIEW-ZRDIBKRKSA-N 399.443 3.849 0 40 GHAB CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 15982672 ZCRIBOIDGPKJEN-UHFFFAOYSA-N 392.480 3.808 0 40 GHAB Cc1ccc(-c2nnc(CNC(=O)C(c3ccccc3)c3ccccc3)o2)cn1 19215267 JWJYLADNJYJLBH-UHFFFAOYSA-N 384.439 3.888 0 40 GHAB Cc1ncsc1C(=O)NCCn1ncc(-c2ccncc2)c1-c1cccs1 19562290 WTEATCUOQVUNFW-UHFFFAOYSA-N 395.513 3.869 0 40 GHAB COc1ccc(C)cc1C1(CNC(=O)N2CCC[C@@H](CCF)C2)CCOCC1 660462542 OVRRFCURBIRWKZ-SFHVURJKSA-N 392.515 3.833 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)Cc1ccc(F)cc1)Cc1ccccc1O2 19591998 HXTMQXLNHRFCGC-UHFFFAOYSA-N 382.479 3.690 0 40 GHAB CCCn1nc(C(=O)OCC(=O)c2ccc(Cl)s2)c2ccccc2c1=O 2637017 UJTTXMBQMSNXFG-UHFFFAOYSA-N 390.848 3.561 0 40 GHAB O=C(COc1cccc(Cl)c1)Nc1ccc(I)cc1 3516052 TVUBKKWVKIUTCN-UHFFFAOYSA-N 387.604 3.962 0 40 GHAB O=C(Nc1cccnc1)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1 31537283 ZJJVZVOENWUEEL-UHFFFAOYSA-N 395.802 3.968 0 40 GHAB CCSc1ccccc1C(=O)NCc1nnc2ccc(-c3ccsc3)nn12 238909894 SCZRARANVXDDDK-UHFFFAOYSA-N 395.513 3.895 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1 2037841133 XJBSVKDNBHDKNK-QHCPKHFHSA-N 396.462 3.562 0 40 GHAB CCn1c(SCC(=O)c2ccc(OC)cc2)nc2c([nH]c3ccccc32)c1=O 4362953 QZBQKSCWRQILMZ-UHFFFAOYSA-N 393.468 3.881 0 40 GHAB CCc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccn(C)n3)sc2c1 12444416 KURHPPCTBBVPMH-UHFFFAOYSA-N 377.473 3.834 0 40 GHAB COc1ccc(-c2cc(COC(=O)c3ccc(F)cc3F)no2)cc1OC 12726967 HIAUUIQVXPUIBA-UHFFFAOYSA-N 375.327 3.994 0 40 GHAB CCOc1ccc2nc(NC(=O)c3csc(Nc4ncccn4)n3)sc2c1 49032205 MRJSGQRPGLLCOF-UHFFFAOYSA-N 398.473 3.937 0 40 GHAB O=S(=O)(NCC[C@@H](CCO)c1cccs1)c1cc(Cl)ccc1Cl 575606673 INIFCXBSZBOGTF-NSHDSACASA-N 394.345 3.890 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4cccs4)no3)C2)cc1 1364408 RYJJKNFMKGWYMG-AWEZNQCLSA-N 389.502 3.675 0 40 GHAB O=C(NCCn1ccc(C(F)(F)F)n1)c1cc(Br)ccc1Cl 96099008 ZXKMSCHTKXARCI-UHFFFAOYSA-N 396.594 3.748 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1OC(F)F 40049486 QIMYOBBWCNPLLQ-GFCCVEGCSA-N 396.415 3.601 0 40 GHAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N[C@H](C)c2cc(C)sc2C)cc1 40074225 VSPRDVHXRZBFTF-UHUXCJHTSA-N 386.517 3.769 0 40 GHAB CCn1c(=O)c2ccccc2n2c(COc3cc(Cl)cc(Cl)c3)nnc12 40023429 GGSMVDINDDXTNT-UHFFFAOYSA-N 389.242 3.950 0 40 GHAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1cc(C)sc1C 40080886 IDCRRDJOOZOSAT-DOMZBBRYSA-N 380.535 3.687 0 40 GHAB O=C1C[C@H](c2ccccc2)N(C(=O)/C=C/c2ccccc2Br)CCN1 40146834 FBIZBJUCYLVBOA-DOJUMQAQSA-N 399.288 3.552 0 40 GHAB O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccsc1 40107827 ZOXSFCLJGLLEHD-HNNXBMFYSA-N 382.407 3.860 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 40104866 DSRCRXAZOPXLIZ-UHFFFAOYSA-N 383.423 3.529 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NCc1cccc(Cl)c1 32665148 SOMOIPBKYQKUMC-SFHVURJKSA-N 386.879 3.565 0 40 GHAB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc2c(F)cccc2s1 32741705 RSLGWRAIVKBUKS-LJQANCHMSA-N 399.443 3.797 0 40 GHAB CC(C)n1ncc2cc(C(=O)O[C@@H](C)C(=O)NCCC3=CCCCC3)cnc21 32866015 APDFBZADMUEJJN-HNNXBMFYSA-N 384.480 3.564 0 40 GHAB COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1ccc(F)cc1 2797002 AUEQIKJTJZWUSC-UHFFFAOYSA-N 399.393 3.678 0 40 GHAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)NC1CCCCC1 903478 FFTBIXJREIQCBW-UHFFFAOYSA-N 388.537 3.726 0 40 GHAB COc1ccccc1Cn1cnc2c([nH]c3ccc(Br)cc32)c1=O 2364410 KANNSFJTHOZMGR-UHFFFAOYSA-N 384.233 3.697 0 40 GHAB Cc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 3564048 RFHUTPMRHMQUKV-UHFFFAOYSA-N 394.496 3.825 0 40 GHAB Cc1cccn2c(=O)c3cc(C(=O)N4c5ccccc5C[C@H]4C)sc3nc12 2722947 SABQMUWBTRVXDW-CYBMUJFWSA-N 375.453 3.809 0 40 GHAB O=C(Cn1cnc2ccc(Br)cc2c1=O)c1c[nH]c2ccccc12 6112331 METGJYBWOZTMAU-UHFFFAOYSA-N 382.217 3.523 0 40 GHAB CCc1ccc(OCC(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)cc1 6450747 JFDUZXIFRRDUNB-UHFFFAOYSA-N 393.472 3.741 0 40 GHAB Cc1cccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccccc2)c1C 6479055 MEOVYIHXSNTJRJ-UHFFFAOYSA-N 388.533 3.661 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cn3)o2)c1 645184 JQXDRVBOUDPRDU-UHFFFAOYSA-N 376.825 3.524 0 40 GHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccccc1F)S(C)(=O)=O 10367340 ARHHDFNSDQUYFT-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)c1ccccc1 8181783 ZFKSPIRJMFXDBK-IRXDYDNUSA-N 386.517 3.741 0 40 GHAB COc1cccc(NC(=O)C[C@@H](C)NC[C@@H](c2cccs2)N2CCCC2)c1 22788518 RUFARVKHCUAWTG-APWZRJJASA-N 387.549 3.901 0 40 GHAB Cc1ccc(CN(C)C(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)o1 17957420 YEGLUAWYPDXIBG-UHFFFAOYSA-N 388.423 3.656 0 40 GHAB Cc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c1 869089 AUDWMGHTJRRBIV-UHFFFAOYSA-N 399.541 3.913 0 40 GHAB O=S(=O)(c1ccc(SCCCOc2ccccc2)nc1)N1CCCCC1 23006916 AUENSTHLTWRTDK-UHFFFAOYSA-N 392.546 3.817 0 40 GHAB Cc1nn(C)c2sc(C(=O)O[C@@H](C)C(=O)Nc3cc(Cl)ccc3F)cc12 42610672 ARYLPFNKAVLALM-VIFPVBQESA-N 395.843 3.920 0 40 GHAB Cc1csc(NC(=O)C2CCN(C(=O)CCc3c(F)cccc3F)CC2)n1 84268540 NGUWMENDZFZDRQ-UHFFFAOYSA-N 393.459 3.540 0 40 GHAB O=C(NC1CCCC1)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 47757119 KOWDHMZKZKRMSR-UHFFFAOYSA-N 392.503 3.713 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1 24856575 FRWIYWUTMASYSD-SFHVURJKSA-N 379.504 3.981 0 40 GHAB O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(C(=O)c2ccoc2)C1 24834480 NUMPONSVUCKBEQ-LBPRGKRZSA-N 377.238 3.533 0 40 GHAB Cc1c(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cnn1-c1cccc(Cl)c1 25006615 OLKXFKJNNGUOKM-UHFFFAOYSA-N 389.242 3.839 0 40 GHAB Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccc(C(F)(F)F)cc1)C2=O 22564328 YPSVFBQPATXTHT-UHFFFAOYSA-N 376.334 3.639 0 40 GHAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3oc(C)nc3C)CC2)on1 100744070 UVOZXVBKGDKSRH-IYBDPMFKSA-N 397.479 3.692 0 40 GHAB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(OC(=S)N2CCCCC2)cc1 1434827 GPIKIGLBRSRUHA-UHFFFAOYSA-N 385.445 3.997 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1OCc1ccncc1 12552249 VLSVDMNUHLGUPN-UHFFFAOYSA-N 378.384 3.650 0 40 GHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 12507140 IZUUPNVSVIKHBX-OAHLLOKOSA-N 394.500 3.792 0 40 GHAB CN(c1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)C1CCCCC1 25394271 NGLMIPIFQOLSGE-UHFFFAOYSA-N 386.565 3.781 0 40 GHAB COc1ccccc1-c1noc(CN2CCN(Cc3cccc(Cl)c3)CC2)n1 25750683 JJLQTDDXUQIPDB-UHFFFAOYSA-N 398.894 3.716 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1F 25928384 QJQQTOROTAKSDW-IBGZPJMESA-N 386.467 3.620 0 40 GHAB COc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1F 44014392 SKERZCGIBMONKG-CQSZACIVSA-N 385.439 3.953 0 40 GHAB CC[C@@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1CC(C)C 57426220 XXWWORWUQBDRHP-CQSZACIVSA-N 393.578 3.997 0 40 GHAB NC(=O)c1ccc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1Cl 57469681 QCFOPVHTJSLUBM-UHFFFAOYSA-N 375.215 3.530 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=S)NC(=O)c1cccc(Br)c1 3281416 WWEGGMVJPPJCGT-NSHDSACASA-N 375.291 3.915 0 40 GHAB C[C@H](OC(=O)COc1ccccc1C=O)C(=O)Nc1cccc(Cl)c1Cl 3280827 TZLZKPGCPKOCPF-NSHDSACASA-N 396.226 3.755 0 40 GHAB CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2c2cccnc2)CCCCCC1 58169266 DTAHLMUOCJNJHD-MSOLQXFVSA-N 387.524 3.919 0 40 GHAB CC1CCN(C[C@H]2CCCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)C2)CC1 58146828 ULZPHGMBYPXGSA-QGZVFWFLSA-N 384.499 3.800 0 40 GHAB O=C(Nc1ccsc1C(=O)NCCCOC1CCCCC1)c1ccncc1 36395900 IXXQGRYVSHBTNW-UHFFFAOYSA-N 387.505 3.865 0 40 GHAB Cc1c(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)sc2cccc(F)c12 11144543 UPDBCOPSKVQXGY-UHFFFAOYSA-N 378.450 3.973 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1 12751683 IVDCSDAKMREXTQ-KRWDZBQOSA-N 395.503 3.687 0 40 GHAB O=C(CN1CCC(c2nc3ccccc3o2)CC1)Nc1ccnn1C1CCCC1 12866682 GNULPTLNTMDVRC-UHFFFAOYSA-N 393.491 3.958 0 40 GHAB Cc1csc(N(C(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)n1 3427992 LXHSFJTUWJNYRI-UHFFFAOYSA-N 391.452 3.803 0 40 GHAB C[C@@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2o1 12987073 QCURTPOKVUWWCH-GFCCVEGCSA-N 377.849 3.737 0 40 GHAB Cc1cccc(NC(=O)CN(C)C(=O)Cc2cccc(C(F)(F)F)c2)c1C 13071366 VNRXSVFKKMAEEI-UHFFFAOYSA-N 378.394 3.962 0 40 GHAB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1[C@H](C(=O)OC)CC2 3959289 KULZZOFQWLCQLP-SNVBAGLBSA-N 393.848 3.643 0 40 GHAB COc1cc(CNC(=O)c2cc(C)nc3ccc(C)cc23)cc(OC)c1OC 23958766 BCSPZLFOGPRQIC-UHFFFAOYSA-N 380.444 3.807 0 40 GHAB COc1ccc(OCc2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 13690827 KPKKOWPYFKRFIO-UHFFFAOYSA-N 389.440 3.989 0 40 GHAB CCCCCC(=O)Nc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1 6086820 BJSUIZOKYCWAAV-UHFFFAOYSA-N 377.444 3.798 0 40 GHAB CCc1cc(=O)oc2cc(OC(=O)CCNC(=O)OC(C)(C)C)c(Cl)cc12 5047372 NJVVMIVOBGIBSQ-UHFFFAOYSA-N 395.839 3.829 0 40 GHAB Cc1cc(C)nc(SCc2nnc(S)n2-c2cccc3ncccc23)n1 9421010 JTHDSLZHIOLUKJ-UHFFFAOYSA-N 380.502 3.803 0 40 GHAB COC[C@H](C)n1c(C)cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1C 5253627 GFEAIMYCQPLUSX-ZDUSSCGKSA-N 387.867 3.559 0 40 GHAB COC(=O)C1(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)CCCCC1 65491650 HRZPHGXYZDCYPI-INIZCTEOSA-N 382.460 3.827 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc21 4484485 XCTRMHMGUCMXDK-CYBMUJFWSA-N 383.473 3.947 0 40 GHAB COC(=O)c1c(NC(=O)CSc2ccc(C)cc2)sc2c1CCN(C)C2 20242027 QNNSGBMBJYUZPV-UHFFFAOYSA-N 390.530 3.562 0 40 GHAB Oc1ccc2c(c1)Oc1ncn3nc(-c4cccnc4)nc3c1[C@H]2c1cccnc1 5347189 PUCMKKKFXCEHHC-SFHVURJKSA-N 394.394 3.573 0 40 GHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)o1 409323311 NANBXGWYZBJASE-WUXMJOGZSA-N 396.346 3.680 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1C 408553844 QSYAGOFIYPVUNC-MRXNPFEDSA-N 382.485 3.762 0 40 GHAB Cc1ccc(NC2=N[C@H](c3ccc(Cl)cc3)n3c(nc(C)cc3=O)N2)cc1 4747278 IVBYCAYMMXMNMY-SFHVURJKSA-N 379.851 3.954 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccccc1C)S2 6812087 ISCBEURCXZPEKT-ROUUACIJSA-N 397.479 3.686 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 15033094 GEEJPAYWJZCDGT-IBGZPJMESA-N 395.551 3.674 0 40 GHAB O=C(COC(=O)CSc1ccccc1)Nc1ccc(Br)cc1F 6919338 OLRONGYNZWIJIJ-UHFFFAOYSA-N 398.253 3.862 0 40 GHAB COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1OC 4943864 VGTLDVRXSVMEJC-XYOKQWHBSA-N 393.443 3.734 0 40 GHAB O=C(CN1CCc2sccc2[C@H]1C1CC1)N1CCN(c2ccccc2F)CC1 7255670 NZKACKSGISITKF-JOCHJYFZSA-N 399.535 3.545 0 40 GHAB CN1C(=O)C(=C2C[C@H](c3cccs3)Sc3ccccc3N2)C(=O)N(C)C1=O 15670682 KVNUOZAYLIQQJZ-OAHLLOKOSA-N 399.497 3.702 0 40 GHAB C[C@H]1CN(C(=O)c2ccccc2N(C)C(=O)C2CC2)C[C@@H](c2ccccc2)O1 67830765 HSJZBGUFQZPCQL-KKSFZXQISA-N 378.472 3.662 0 40 GHAB CC[C@H](C)CN(C)c1ccc(F)cc1CNc1cccc(S(N)(=O)=O)c1 96003660 NMPFYTUWLAJYAR-AWEZNQCLSA-N 379.501 3.568 0 40 GHAB CC(=O)Nc1nc(CSc2nncn2-c2ccc(C)c(Cl)c2)cs1 7781983 OHYRCWADIRHQGX-UHFFFAOYSA-N 379.898 3.936 0 40 GHAB O=C([C@H]1CN(C(=O)c2ccc(Cl)s2)c2ccccc2O1)N1CCCCC1 7825345 KUAAYOFYBGAXLM-OAHLLOKOSA-N 390.892 3.822 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 8181287 WBQRSINEORZXTO-UHFFFAOYSA-N 380.400 3.529 0 40 GHAB O=C(Nc1ccc(CN(C(=O)[C@H]2CCCO2)c2ccccc2)cc1)[C@H]1CCCO1 72307980 STIQUBIHPMACSE-NHCUHLMSSA-N 394.471 3.516 0 40 GHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2Cc1cc(F)cc2cccnc12 83852260 COBOTWWCWKFNBN-UHFFFAOYSA-N 399.491 3.577 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1 9667710 TYLCYYXXLJDANH-INIZCTEOSA-N 382.485 3.941 0 40 GHAB CCN(CC(=O)N1CCc2sccc2C1)c1ccc(Br)cc1 95389771 GXYHTHIBWQJLOT-UHFFFAOYSA-N 379.323 3.922 0 40 GHAB CC(C)c1c(C(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)cnn1-c1ccccc1 95447628 SIHDHBFXCPZYQR-HNNXBMFYSA-N 394.441 3.704 0 40 GHAB CC(C)C[C@H]1C[C@@H](C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CC(=O)N1 95468819 ZJKZHLXSSAYGED-QUCCMNQESA-N 396.535 3.934 0 40 GHAB C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)C1C2CC3CC(C2)CC1C3 42600044 VYBUTYOGEVSAAU-IZTQQUGESA-N 395.591 3.776 0 40 GHAB COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(F)cc3)n2)cc1OC 98212272 GJVWQIFTQFVCHU-MRXNPFEDSA-N 397.406 3.870 0 40 GHAB O=C(O)Cn1ccc2cc(NC(=O)Cc3coc(-c4cccs4)n3)ccc21 95970563 YEPXZMRTIMRHSC-UHFFFAOYSA-N 381.413 3.624 0 40 GHAB CN(C)Cc1ccnc(NC(=O)c2ccccc2OCCOc2ccccc2)c1 95963626 LJXPJDMXEYMFPU-UHFFFAOYSA-N 391.471 3.853 0 40 GHAB O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)N1Cc2cnn(-c3ccccc3)c2C1 556741428 POEDSKVCTKNUKS-PGRDOPGGSA-N 388.471 3.675 0 40 GHAB CC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN1CCN(C)CC1 22576644 DQVIJOCOLCADKE-GBXCKJPGSA-N 380.532 3.571 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)c(C)c1 408664056 YPZSQKIMVDYOBF-INIZCTEOSA-N 385.847 3.736 0 40 GHAB CN1CCCC[C@@H](C2CCN(C(=O)c3cc(-c4ccc(F)cc4)no3)CC2)C1=O 72371990 BMXAELGOKMLHBO-SFHVURJKSA-N 399.466 3.591 0 40 GHAB FC(F)(Cl)c1nnc2sc(-c3cc(-n4cccn4)ccc3Cl)nn12 61719774 KFMQISKDQQLRLD-UHFFFAOYSA-N 387.202 3.980 0 40 GHAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(c2cccc(Cl)c2)CC1 38857335 LKTIYVJSTLPSGJ-UHFFFAOYSA-N 380.879 3.547 0 40 GHAB Cc1ccsc1S(=O)(=O)N1CCC([C@@H](CC(=O)O)c2ccccc2)CC1 560481082 TVVBWNUIMBIVDA-KRWDZBQOSA-N 393.530 3.716 0 40 GHAB Cc1ccc(C)c(NC(=S)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1 40073263 YNIOJOATJLLIMC-JOCHJYFZSA-N 396.604 3.969 0 40 GHAB COc1cccc(O[C@@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)c1 224682198 FTIHDNCFJCEGIP-SFHVURJKSA-N 382.504 3.765 0 40 GHAB COc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccsc1C(F)(F)F 529565357 MBSLPLYVOCHCKC-UHFFFAOYSA-N 394.440 3.638 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1C1CCCCC1 223573770 NMAHDNLUZZCWEW-NHCUHLMSSA-N 398.576 3.970 0 40 GHAB CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224172767 NPHXWZPZLQUANJ-CQSZACIVSA-N 378.469 3.569 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 224352275 JWFDWYBKZAPVKP-LJQANCHMSA-N 390.886 3.965 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1 222990221 OMHVWWVFRDFWJU-UHFFFAOYSA-N 387.461 3.593 0 40 GHAB CCOc1cccc(-c2noc(Cn3nc(-c4ccc(C)cc4)ccc3=O)n2)c1 44166144 CDIYJKQNOJLHGD-UHFFFAOYSA-N 388.427 3.716 0 40 GHAB CCn1nc(C)c2nc(C(C)C)nc(Nc3ccc(N4CCOCC4)cc3)c21 226688405 YPEXOEXBXDXUAO-UHFFFAOYSA-N 380.496 3.858 0 40 GHAB CCOc1ccc(-c2cnc(CCC(=O)NCc3ccccc3OC)o2)cc1 224861633 QXFGVVZLAUEUDX-UHFFFAOYSA-N 380.444 3.998 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 224046479 NKONQTKYIAZVBH-GOSISDBHSA-N 394.515 3.714 0 40 GHAB COc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)cc1 224136015 IGIWXZLBXOZBKG-LJQANCHMSA-N 396.531 3.736 0 40 GHAB Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3cc(Cl)c4c(c3)OCO4)C[C@H]21 247935201 RWQSLEIHKWWOHZ-MRUHUIDDSA-N 386.879 3.502 0 40 GHAB O=C(Nc1cccc(OCCF)c1)N1CCN(c2cccc3[nH]ccc23)CC1 529017820 NFQGQWFVXWYENV-UHFFFAOYSA-N 382.439 3.870 0 40 GHAB CC(=O)N1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccc(F)cc3)c2)C1 257257122 KODNWOHCMQVRNW-QGZVFWFLSA-N 379.439 3.559 0 40 GHAB CN1CCN(CCOc2ccc(-c3ccccc3C[C@@H]3CCCCN3)cc2)CC1 653509391 DSQQDWHPKQFBLO-QHCPKHFHSA-N 393.575 3.664 0 40 GHAB CNc1nc(C)c(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)s1 67434862 FKAIJISLEGHJTH-HNNXBMFYSA-N 381.505 3.903 0 40 GHAB Cc1[nH]c2ccccc2c1C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 48311365 YJNQEWGKORJJDP-UHFFFAOYSA-N 378.501 3.925 0 40 GHAB O=C(NCCc1ccccc1F)NC[C@H]1CCCN(Cc2cccs2)C1 60244803 WAOCANOKKAOLIM-MRXNPFEDSA-N 375.513 3.641 0 40 GHAB COc1cc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)ccn1 1615128608 UIZRXDAKCGUWKY-JOCHJYFZSA-N 383.467 3.893 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)CN1c1ccc(F)cc1 1615130091 OPIJSOOIJFCSHB-OAQYLSRUSA-N 390.405 3.502 0 40 GHAB Cc1cc(N2CCCC2)ccc1-c1nc2cnccn2c1NC[C@@H]1CCCO1 12113911 KPYCQVBBKASPRS-SFHVURJKSA-N 377.492 3.896 0 40 GHAB CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 15305975 CLDFKISGRKFUDC-UHFFFAOYSA-N 390.530 3.835 0 40 GHAB COc1cc(/C=C/C(=O)NCCCOc2cccc(C)c2)cc(OC)c1OC 16277508 IXFCDPKPSGWPSF-MDZDMXLPSA-N 385.460 3.619 0 40 GHAB Cc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)C4CC4)C3)cc2)cc1 19212326 VFWGVVXRZSTUPE-XMMPIXPASA-N 376.500 3.709 0 40 GHAB CC(C)CC(=O)N1CC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 19446216 VXXKZOBDDPOPRZ-DEOSSOPVSA-N 393.531 3.644 0 40 GHAB CCOCc1cc(CN2CCC(c3cc4nccnc4[nH]3)CC2)ccc1OC 19531123 YMKYHVAWDHACIH-UHFFFAOYSA-N 380.492 3.883 0 40 GHAB Cc1ncsc1-c1nc(NCCN2CCCC2=O)ncc1-c1ccc(F)cc1 19562400 ZOHMCSNXEVLPFK-UHFFFAOYSA-N 397.479 3.749 0 40 GHAB CN(C)Cc1cc(C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)nn1C 19710195 QKYLERFRAUUCEE-UHFFFAOYSA-N 394.563 3.700 0 40 GHAB CN(C)c1ncccc1CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 19713842 DDNXOMQYBTWXEY-YADHBBJMSA-N 392.547 3.693 0 40 GHAB Cc1ccc(C(=O)O)cc1N1C(=O)C[C@H](Nc2ccc(Cl)cc2Cl)C1=O 101275041 OBKLFIFFSCIARE-AWEZNQCLSA-N 393.226 3.744 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)cc1 7989424 AQPDUEFRFLULFR-UHFFFAOYSA-N 388.489 3.559 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@H]2CN(c3cc(C4CCC4)ncn3)C[C@@H]2C1 1888876055 ISWLKGCQIULKHS-HUUCEWRRSA-N 389.425 3.731 0 40 GHAB CCOC(=O)c1cn(CC2CCOCC2)c2cc(Cl)cc(Cl)c2c1=O 1888928962 FAJNLGQVXMFMIJ-UHFFFAOYSA-N 384.259 3.912 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2)cc1 18175666 OIWVKAVBTBBYNJ-CQSZACIVSA-N 393.484 3.739 0 40 GHAB CN(C)c1ccc(CCCNC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 31664708 CIPADSRYEZLGLK-UHFFFAOYSA-N 394.563 3.649 0 40 GHAB COc1ccc(C)cc1CN(C)C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 37117685 IADFXGFPZCKNIE-NRFANRHFSA-N 378.472 3.926 0 40 GHAB COc1c(C)cccc1CN1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984015 NISLWLXVEIVMJH-DEOSSOPVSA-N 394.515 3.792 0 40 GHAB Cc1ccc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)cc1 4304344 LOXALGJERJZPEH-UHFFFAOYSA-N 390.439 3.528 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCCS2(=O)=O)cc1 5438500 IKECDUITAFWYRC-UHFFFAOYSA-N 382.844 3.661 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)NCC1(c2ccccc2)CCOCC1 16972149 CUYPWQHBEJTVGU-UHFFFAOYSA-N 379.909 3.508 0 40 GHAB Oc1c([C@@H](c2cccc(F)c2)N2CCc3ccccc3C2)sc2ncnn12 22609626 PKOJWWNSJMRYDF-QGZVFWFLSA-N 380.448 3.783 0 40 GHAB O=C(Cc1ccc(F)cc1)N(CCn1cccn1)c1nc2ccccc2s1 23144687 QTHFJPQDQSGZHU-UHFFFAOYSA-N 380.448 3.908 0 40 GHAB O=C([C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1)N1CCSCC1 2086861080 FMZXVDKCOOUWQT-LLVKDONJSA-N 393.862 3.546 0 40 GHAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc2c(c1)OCCO2 49005565 HHPCJIVKVNKPGV-UHFFFAOYSA-N 392.459 3.935 0 40 GHAB O=C(c1cncc(Br)c1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225737699 WEQJQUIQSSFHDZ-INIZCTEOSA-N 398.260 3.686 0 40 GHAB Cn1c(=O)c2c(c3ccccc31)Nc1[nH]nc(O)c1[C@@H]2c1ccc(Cl)cc1 18197695 OEZGHMIJAUDSMQ-CQSZACIVSA-N 378.819 3.858 0 40 GHAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)Nc1ccc(-c2nnn[nH]2)cc1 104365865 PZLHAXCZOOFUEW-MDZDMXLPSA-N 376.807 3.720 0 40 GHAB CN(CCOc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 40104791 XZOUZJXWTHHIBF-UHFFFAOYSA-N 385.439 3.604 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 30672917 IXWVWNFZURSQPH-IRXDYDNUSA-N 398.469 3.717 0 40 GHAB O[C@H](c1ccc(Br)cc1)[C@H](CN1CCOCC1)c1ccccc1 20792217 RLTKQSKRESYILF-RTBURBONSA-N 376.294 3.599 0 40 GHAB Cc1ncc2c(c1-c1noc(-c3ccsc3)n1)CCN(C(=O)NC(C)C)C2 102299777 MEDCVIWLNQIWFP-UHFFFAOYSA-N 383.477 3.645 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)c1 32893332 XBLWIEAPNNUKKP-UHFFFAOYSA-N 396.516 3.795 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3cc(Cl)ccc3OC(=O)c3ccco3)C(=O)[C@@H]2C1 102553587 POIOLTMDFWDGNY-UONOGXRCSA-N 385.803 3.998 0 40 GHAB CCc1ccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccccn2)cc1 1362748 HTNBVFRJWMAXLX-UHFFFAOYSA-N 395.532 3.899 0 40 GHAB CN(CC(=O)NCCc1cccc(Cl)c1Cl)[C@H](CCO)c1ccccc1 78950412 IZLQPXXHALDRPP-GOSISDBHSA-N 395.330 3.708 0 40 GHAB CCc1cc(=O)n2nc(N(Cc3cccc(C)c3)Cc3ccco3)sc2n1 79076434 SPNNRYQBIVTFHV-UHFFFAOYSA-N 380.473 3.822 0 40 GHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@H](C)c1cccs1 32908163 FQQAXBVNIQUFGB-SNVBAGLBSA-N 375.519 3.896 0 40 GHAB CC(=O)c1cn(CCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc12 79188423 KSVCYGODNLHXNU-GHTZIAJQSA-N 381.520 3.615 0 40 GHAB biogenic Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccc3)c2)c1 3569719 GNNNMKDEXXMJMZ-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB COc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccoc2C)cc1 4851723 OFUFAIKKGFCAJR-UHFFFAOYSA-N 398.488 3.559 0 40 GHAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)s1 4893400 WOOCFBXPGBHQIG-BVIHXZOGSA-N 379.478 3.563 0 40 GHAB O=S(=O)(N[C@@H]1Cc2ccccc2[C@H]1N1CCCCCCC1)c1ccccc1 6651957 WKXSTHYPYVTLJS-FGZHOGPDSA-N 384.545 3.897 0 40 GHAB CNc1c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c(=O)oc2ccccc12 6784593 RVFLDONUXAZENI-UHFFFAOYSA-N 384.457 3.514 0 40 GHAB O=C(CCCOc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 7504556 DLBSVBCBAQFPMO-UHFFFAOYSA-N 376.859 3.987 0 40 GHAB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2c(C)cccc2C)C1)C(=O)c1ccccc1 7881638 FTEUXXNTOLQLIS-RBUKOAKNSA-N 379.456 3.861 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 7881794 WFIVBJZOWCDQGJ-IBGZPJMESA-N 394.471 3.631 0 40 GHAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](CCC)[C@@H]3C2=O)cc1 100531058 GQPKHYLBDZZBAC-ACRUOGEOSA-N 394.471 3.954 0 40 GHAB COc1ccccc1N1CCN(C(=O)CCC(=O)c2ccc(SC)cc2)CC1 8200094 ISJLPQFGTKJKSI-UHFFFAOYSA-N 398.528 3.729 0 40 GHAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@H](C)[C@@]4(O)C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 8618882 PPWXHEFVBQBHDR-MBTWGFFXSA-N 392.536 3.863 0 40 GHAB Cc1noc(C)c1COc1ccc(CC(=O)OCc2nc(C(C)C)no2)cc1 22750591 FRJLHFVBPSVORS-UHFFFAOYSA-N 385.420 3.663 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C 873097 GXVONCBENUTUTD-UHFFFAOYSA-N 387.530 3.959 0 40 GHAB C[C@H](Sc1nnc(-c2cccs2)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)C(N)=O 104658515 BZOQXSTXBRIGDX-QMVSFRDZSA-N 376.551 3.970 0 40 GHAB COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC(C)=O 1082868 JGZOXTSCOZGQNQ-UHFFFAOYSA-N 394.335 3.626 0 40 GHAB biogenic Cn1c2n/c(=N\c3ccccc3)n3c(c2c(=O)n1-c1ccccc1)CCCCCC3 102850180 ZKYAXZMCJNFYIK-OCOZRVBESA-N 399.498 3.875 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)NCCc2cn3ccccc3n2)cc1 12577229 HSPKMJBXHQHATG-UHFFFAOYSA-N 383.451 3.846 0 40 GHAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(Cc2cccnc2)CC1 12542478 VSTMQONHDBWIAD-UHFFFAOYSA-N 399.560 3.636 0 40 GHAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCOCC1 25329493 PYLMYDSYZKUBKV-BEFAXECRSA-N 392.421 3.897 0 40 GHAB O=c1c(Cl)c(Cl)cnn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 25465773 NWEFEOZKZOAVAF-UHFFFAOYSA-N 391.136 3.667 0 40 GHAB O=C(CN1CCCCCC1=O)Nc1ccccc1N1CCc2ccccc2C1 25799083 OAGFWHNJEYLPLM-UHFFFAOYSA-N 377.488 3.590 0 40 GHAB CCOC(=O)c1csc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)n1 57194290 CASOMBRXIUVVHS-UHFFFAOYSA-N 394.880 3.660 0 40 GHAB COC(=O)c1ccc(CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 12556311 GKUCEYMKSLUYBX-UHFFFAOYSA-N 385.423 3.742 0 40 GHAB O=C(COC(=O)Cc1ccc(Br)cc1)NCCC1=CCCCC1 3274360 GLRXBRJLTUMLGI-UHFFFAOYSA-N 380.282 3.542 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1 35679088 HHFAQMJZTDPBHL-UHFFFAOYSA-N 396.915 3.602 0 40 GHAB COc1cc(N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)ccc1N1CCCC1=O 57963087 NTPTYIBSXDWGFT-JKSUJKDBSA-N 393.487 3.600 0 40 GHAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2ccc(O)cc2)CC1 58019340 RLKARZWTUBDQBN-CQSZACIVSA-N 384.867 3.979 0 40 GHAB O=C(O)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)c1 3308177 WYHWZAKEXCDANO-UHFFFAOYSA-N 384.395 3.885 0 40 GHAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccs1 2421584 GZSLKNVVPFQCKS-SFHVURJKSA-N 382.485 3.742 0 40 GHAB CN(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccco1 12749307 RHZQTJRVAWLXKK-IBGZPJMESA-N 377.444 3.565 0 40 GHAB Brc1ccc(Oc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 12728783 RVZBCEGYULBHOY-UHFFFAOYSA-N 390.285 3.627 0 40 GHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccccc1SCC(=O)N(C)C 36866411 FQVNBEVTWYHLGN-HNNXBMFYSA-N 386.517 3.675 0 40 GHAB Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccccc3Cl)cs2)c(=O)[nH]1 12761864 PNZICSFSEKQOEJ-UHFFFAOYSA-N 388.880 3.735 0 40 GHAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CCc2sccc2C1 48377755 ZLHKHJTUZHOOCZ-UHFFFAOYSA-N 397.422 3.939 0 40 GHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@H](C)c1ccco1 12810162 RVEUKXIZMKEEPX-LLVKDONJSA-N 379.338 3.984 0 40 GHAB COc1cccc(-n2ccnc2SCC(=O)N[C@H]2CCOc3ccccc32)c1 8746366 DHJUCHKXYVCUIM-SFHVURJKSA-N 395.484 3.613 0 40 GHAB Cc1cnc(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)cn1 12912116 RDFSGSWKAPWOFF-UHFFFAOYSA-N 386.499 3.978 0 40 GHAB Cc1ccc2c(COC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)cc(=O)oc2c1C 12938200 SIXOBYQIALFQFQ-KRWDZBQOSA-N 395.386 3.718 0 40 GHAB O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 12994565 IOVWQOVZIWXESE-IBGZPJMESA-N 396.830 3.805 0 40 GHAB O=C1CCc2ccc(OCCCCOc3ccc4c(c3)NC(=O)CC4)cc2N1 38215218 HYDKRRWQLHXDEN-UHFFFAOYSA-N 380.444 3.694 0 40 GHAB in-vitro O=C1O[C@@H](C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)Cc2ccccc21 8768044 UDGYQFTZDCJTEG-QGZVFWFLSA-N 382.416 3.593 0 40 GHAB O=S(=O)(Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1)c1ccccc1 4049759 KLYYNQXQLCQNDD-UHFFFAOYSA-N 389.436 3.973 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccccc1 20040414 SMGVHKKRNXYLMP-XLIONFOSSA-N 388.533 3.725 0 40 GHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(-c2ccco2)on1 14164191 BKKLOKYTNFXOMW-UHFFFAOYSA-N 399.406 3.930 0 40 GHAB CCOc1ncccc1C(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1 6639478 FJOOMSOPLJNZRU-UHFFFAOYSA-N 397.456 3.817 0 40 GHAB CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N(C)Cc1nc2ccccc2s1 66371419 MCXISGXLFOFWDP-GOSISDBHSA-N 395.528 3.782 0 40 GHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cccc(F)c1 15644956 HSUHMWKEJJSEJQ-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)cc3)C2=O)c1 409314188 FDFHCUHCVLWKEI-LICLKQGHSA-N 382.441 3.684 0 40 GHAB COc1ccc(NC(=O)c2cc(Br)ccc2Br)cn1 68741439 SWUIDHVXPDYGSL-UHFFFAOYSA-N 386.043 3.868 0 40 GHAB CCCCCC1=NN(C(=O)COc2ccc(F)cc2)[C@@](O)(C(F)(F)F)C1 409345943 LXLMJVZDRCRSGN-INIZCTEOSA-N 376.350 3.624 0 40 GHAB CSc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc1 16751312 IGYJDPHPBLJAMW-SFHVURJKSA-N 395.480 3.669 0 40 GHAB COc1cccc(N2C[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)c1 8247215 KZFYVLGNINQBRY-FQEVSTJZSA-N 392.499 3.529 0 40 GHAB CC[C@@H](Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2cccs2)no1 95482451 BMTZHGNNDJXZIN-CYBMUJFWSA-N 375.425 3.753 0 40 GHAB OCCN(Cc1ccc(Cl)c(Cl)c1)c1ncc(Br)cn1 95981649 BOCNFPFYPIALEB-UHFFFAOYSA-N 377.069 3.545 0 40 GHAB Cn1cc(-c2nnc(N3CCOCC3)n2CCc2ccccc2)c2ccccc21 555138209 PECPCNBHIGBHKP-UHFFFAOYSA-N 387.487 3.516 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1ccc(F)cc1 306129168 HWGPXEURTVRUQT-FCHUYYIVSA-N 393.437 3.848 0 40 GHAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Cl)c1ccc(F)cc1 408706149 WBWMBXKLAUOQSD-UHFFFAOYSA-N 384.860 3.664 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 20491281 PYHXNBRBUKPOJH-OAHLLOKOSA-N 399.443 3.591 0 40 GHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccccc2Cl)CC1=O 69198142 YRSKJCHCSDRSMQ-LLVKDONJSA-N 380.227 3.961 0 40 GHAB Cc1ccc(-c2cn3c4c(n(C)c3n2)CCN(Cc2cnn(C(C)C)c2)C4)cc1 306127922 GKSUKHMOLNMSPO-UHFFFAOYSA-N 388.519 3.984 0 40 GHAB CC(C)N1CCN(C(=O)c2nc(-c3ccn(C(C)C)c3)n3ccccc23)CC1 306140925 VGXGWJLHRZYVLR-UHFFFAOYSA-N 379.508 3.550 0 40 GHAB CC(C)(c1ccc(NC(=O)N2CCOC[C@H]2[C@H]2CCCO2)cc1)C(F)(F)F 554507114 RCBSQXOVLRRVTR-JKSUJKDBSA-N 386.414 3.938 0 40 GHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cccc(C(F)F)c1F 527720433 LILGCJLESLHLAU-UHFFFAOYSA-N 378.394 3.526 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)C1(c2ccccc2)CCOCC1 32799840 KLVMIXZNWULRET-UHFFFAOYSA-N 378.516 3.647 0 40 GHAB COc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 72362121 FZENWYHGGMWPKY-KRWDZBQOSA-N 390.443 3.692 0 40 GHAB Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=O)C3CC3)c3nnnn3c2c1 35313186 AWILEXLBDVGNQL-UHFFFAOYSA-N 389.434 3.664 0 40 GHAB COc1ccccc1Oc1nccnc1C1CCN(C(=O)c2cscn2)CC1 72362639 OJYZTCARFQWRPU-UHFFFAOYSA-N 396.472 3.754 0 40 GHAB O=S(=O)(NC[C@H](c1ccsc1)c1ccco1)c1ccc(-n2cccn2)cc1 675008004 LUBNHKVMMUTNDA-GOSISDBHSA-N 399.497 3.637 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 219364583 OZSLBBVJSTYNCT-HNNXBMFYSA-N 387.461 3.623 0 40 GHAB CCn1nc(C)c2c(C(=O)Nc3cnn(Cc4ccccc4F)c3)cc(C)nc21 32648553 DMSGGJICDHVYAA-UHFFFAOYSA-N 392.438 3.704 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 216289928 XXWUSVCDYFTXJX-CYBMUJFWSA-N 389.473 4.000 0 40 GHAB Cc1nc([C@H]2CCCN(C(C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F 72371925 OGQNZTIQRQBDAS-SFHVURJKSA-N 396.510 3.644 0 40 GHAB COc1cccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)cc2)c1 41157442 QSBLRGFXZSTXGR-QGZVFWFLSA-N 392.908 3.839 0 40 GHAB O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1cnn(Cc2ccccc2)c1 48232384 MRQLCJXIIMCTPD-UHFFFAOYSA-N 389.377 3.689 0 40 GHAB COc1ccc(/C=C/C(=O)NCCNc2ncc(Cl)cc2Cl)c(OC)c1 40118634 YWFVOUGEYLCMMT-GQCTYLIASA-N 396.274 3.647 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)cc1 77184149 YXNUZCIXSYAIAU-XMMPIXPASA-N 389.451 3.778 0 40 GHAB COC(=O)c1ccc(NC(=O)CN(C)c2nc3c(Cl)cccc3s2)cc1 77196758 DLTHATBQNXQLJX-UHFFFAOYSA-N 389.864 3.811 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 223671642 NIPWGIVMMDHGBS-LJQANCHMSA-N 382.504 3.544 0 40 GHAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1F 225397024 NMRVDDQEIPJBJF-UHFFFAOYSA-N 375.787 3.810 0 40 GHAB CCN(CC)C(=O)C[C@H]([C@H](CC(F)(F)F)C(=O)N(CC)CC)C(F)(F)F 45028186 ZISXYTBEXWOPPY-NWDGAFQWSA-N 392.384 3.860 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 222386909 DOPQOTGGSVTBSP-SFHVURJKSA-N 384.545 3.782 0 40 GHAB Cc1ccc(Cn2ccc3c(nnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc1 40391383 HXXUGCXUEXDNHY-UHFFFAOYSA-N 385.402 3.602 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 225008446 UCNDFBCNUOQSOJ-IBGZPJMESA-N 396.531 3.798 0 40 GHAB O=C(NC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21)c1ccccc1 96112467 XDPBPSSNFILBIQ-AWEZNQCLSA-N 375.350 3.556 0 40 GHAB biogenic,in-vitro Cc1ccsc1C(=O)N1CCC2(CC1)OCC[C@H]2CCOc1ccccn1 253598198 BCVQYGFGDWEYIA-QGZVFWFLSA-N 386.517 3.932 0 40 GHAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3ccccc3)CCO2)n1 257217432 CYWXAUSPOUXZEW-HXUWFJFHSA-N 377.444 3.821 0 40 GHAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)c1c(F)cccc1Cl 253401000 MGOOLFHTSYERFA-UHFFFAOYSA-N 387.827 3.575 0 40 GHAB O=C(Nc1ncccc1-c1ccccc1)[C@H](C[C@@H]1COCCO1)C(F)(F)F 622835891 GJHDOXSKKPUMEY-ZBFHGGJFSA-N 380.366 3.671 0 40 GHAB N[C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)CCSc3ccccc3Cl)C2)C1 653191556 XRHJCXIPNOKFKW-BFYDXBDKSA-N 382.957 3.567 0 40 GHAB CN(CC(=O)c1ccc2c(c1)NC(=O)CO2)Cc1ccc(Cl)c(Cl)c1 57318483 CHFOETRCQQCPQE-UHFFFAOYSA-N 379.243 3.639 0 40 GHAB COc1ccc(CNC(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1 654343876 RQWBVFOWOIEZCB-UHFFFAOYSA-N 376.460 3.728 0 40 GHAB COc1ccc(CN2CCC3(CC2)CC(=O)N(C)Cc2ccccc2N3)cc1 1615529211 GEKXWBBINYJAIB-UHFFFAOYSA-N 379.504 3.504 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 12088601 NUKWOAVERSJPFM-KRWDZBQOSA-N 378.501 3.857 0 40 GHAB O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 12089237 FRVOJLFGVAITKY-RBUKOAKNSA-N 384.549 3.798 0 40 GHAB COc1cccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)c1 12330050 OAHMNRCHVPFMQI-FCHUYYIVSA-N 397.515 3.696 0 40 GHAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)CCN2CCCCC2)s1 12360912 RZXSWQNBVBDOJH-UHFFFAOYSA-N 375.513 3.744 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)cc1 13017239 ZKBNGZWZDYUSBG-UHFFFAOYSA-N 383.517 3.707 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1OC 17078072 CLDFQRINDSKYAP-UHFFFAOYSA-N 382.441 3.689 0 40 GHAB Cc1cc(-c2c[nH]nc2[C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)on1 19121080 UFCSSLBHXMHFRJ-CQSZACIVSA-N 392.868 3.552 0 40 GHAB Cc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)CC(C)C)CCNC2=O)cc1 19212841 OIBMJROAGMJZOP-OAQYLSRUSA-N 378.516 3.825 0 40 GHAB CN1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1cn(C)c3ccccc13)C2 19290454 OKKNLUOFODUWDP-JOCHJYFZSA-N 375.520 3.683 0 40 GHAB COc1ccccc1-c1ccc(NC(=O)C[C@@]2(C)C(=O)N=C3C=CC=CN32)cc1 19654969 HMUNCOXZKBUFJA-QHCPKHFHSA-N 387.439 3.774 0 40 GHAB Fc1cccc(-c2ccc(CN3CCC[C@H](c4nnc5n4CCNC5)C3)cc2)c1 19711041 GAYRYCUUGIHFEM-FQEVSTJZSA-N 391.494 3.567 0 40 GHAB CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC 5367232 NIIJJISQEZFEFE-MURJRXOCSA-N 389.492 3.734 0 40 GHAB CCOc1ccc(NC(=O)NC(=O)COc2ccc(Cl)cc2)cc1OCC 5862585 CPURTBBXXKQNFX-UHFFFAOYSA-N 392.839 3.865 0 40 GHAB CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCCN(CCc3ccccc3)C2)C1 12087218 FQDQGXGLAZAOPW-DEOSSOPVSA-N 378.516 3.813 0 40 GHAB NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C(=O)c2ccccc2F)C1 13266826 QIWHJRSLMCQHCK-CYBMUJFWSA-N 395.409 3.632 0 40 GHAB Cc1ccc(C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)s1 13227433 FODFWJADLCDCAR-UHFFFAOYSA-N 379.485 3.723 0 40 GHAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1ccccc1OC(F)F 3285529 DHVWDCYQIZRJSP-UHFFFAOYSA-N 391.157 3.785 0 40 GHAB Cc1nc(C)c(C)c(OCC2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 1888870188 UPBIBOMDMISXIP-UHFFFAOYSA-N 381.402 3.506 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1cncc(Br)c1 1888951537 NDVQWHOYTVEQQR-GFCCVEGCSA-N 393.262 3.629 0 40 GHAB Cc1ccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1F 21533457 WABDGKJHNCSCBM-UHFFFAOYSA-N 381.373 3.900 0 40 GHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCc3ccccc3C2)C1=O 23381319 IHXVZBWUHOCRCP-DEOSSOPVSA-N 385.467 3.623 0 40 GHAB O=C(Nc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1)c1ccco1 26987238 MBOHULIFCMJMMO-HXUWFJFHSA-N 375.428 3.964 0 40 GHAB CCN(Cc1ccc(Br)s1)S(=O)(=O)c1cccc(F)c1 32719005 NLJGVQMRIFHBCO-UHFFFAOYSA-N 378.288 3.861 0 40 GHAB COc1cccc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)n1 2037988462 LDKYLZQBOYSEDV-QFIPXVFZSA-N 383.467 3.893 0 40 GHAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(Cc4sccc4C)C3)C2)cc1 1204020407 ZZTVCGXJAMXMJX-OAQYLSRUSA-N 399.516 3.815 0 40 GHAB CCC1=NN(C(=O)c2ccccc2O)[C@@](O)(c2ccc(Br)cc2)C1 1023061 OYDFWVAGVOTCMG-SFHVURJKSA-N 389.249 3.612 0 40 GHAB O=C(Cc1cccc2ccccc12)Nc1cccc(N2CCCS2(=O)=O)c1 5075880 SLFSNXLPSQAFBX-UHFFFAOYSA-N 380.469 3.561 0 40 GHAB COc1ccc2sc(N(CCN(C)C)C(=O)c3ccccc3OC)nc2c1 5121526 OHKMLABEWOHWOU-UHFFFAOYSA-N 385.489 3.522 0 40 GHAB CCc1ccccc1NC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O 7364813 MSZQUWKVEOUADB-UHFFFAOYSA-N 392.484 3.824 0 40 GHAB COc1ccc(OCC(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 9137818 OZVLOZWQISVACR-UHFFFAOYSA-N 382.460 3.648 0 40 GHAB Cc1cccc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)cc(=O)[nH]2)c1 11854364 MLOOLRWKXSLIBL-UHFFFAOYSA-N 391.456 3.553 0 40 GHAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(=O)n(Cc2ccccc2F)c1 15883200 FDQFDKDNFOKMHL-UHFFFAOYSA-N 376.309 3.705 0 40 GHAB CCc1ccc(S(=O)(=O)NC[C@H](O)c2cc(-c3ccco3)cs2)s1 1775969858 OUVDBAUDJNTMAJ-ZDUSSCGKSA-N 383.516 3.644 0 40 GHAB COc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3nc(C)ccc23)c1 49004923 KSXZGKGLGFAMNG-UHFFFAOYSA-N 394.500 3.879 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1 575606773 JGCPZGRASNFKPW-UHFFFAOYSA-N 386.757 3.666 0 40 GHAB Cc1cc(C(=O)N2CCC(Cn3nc(-c4ccccc4)ccc3=O)CC2)c(C)o1 585147548 OLGNTRODCMQLBP-UHFFFAOYSA-N 391.471 3.673 0 40 GHAB O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1nc2ccccc2s1 585304649 CULMCNAQCFHCRO-GFCCVEGCSA-N 392.406 3.719 0 40 GHAB O=S(=O)(NCc1ccc([C@@H](O)c2ccco2)s1)c1ccc(Cl)s1 206685749 XKAFXLUBIDAAAN-AWEZNQCLSA-N 389.907 3.616 0 40 GHAB COc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@@H](C)C2)c1 23157864 XEFGXOBSBXOELZ-AHIWAGSCSA-N 386.521 3.881 0 40 GHAB CCOC(=O)c1ccc2c(c1)n(Cc1nc3ccccc3s1)c(=O)n2CC 40063019 IKCAXSKZKOXYFM-UHFFFAOYSA-N 381.457 3.658 0 40 GHAB C[C@H](SCc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccncc2)CC1 40154045 WZAHMVJVYJODMS-INIZCTEOSA-N 383.517 3.581 0 40 GHAB C[C@@H]1CCc2nc(NC(=O)c3ccc(OCc4nccn4C)cc3)sc2C1 40119417 KEYNTCBMAKAVRV-CYBMUJFWSA-N 382.489 3.833 0 40 GHAB O=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc2c(c1)OCCO2 100120792 SLKJKZLTMZZARV-MRXNPFEDSA-N 375.833 3.535 0 40 GHAB O=C(O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1F 40267580 UMQWGLAXMOIUQS-SFHVURJKSA-N 398.369 3.566 0 40 GHAB COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 100580357 SROYVBSRTNKJEG-POZUXBRTSA-N 393.439 3.840 0 40 GHAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCN(C/C=C/c2ccccc2)CC1 32093335 RACJIPAZVMKCNC-ZMTJCJBESA-N 393.462 3.764 0 40 GHAB C[C@@H](CNC(=O)c1ccc(Br)s1)N1CCc2sccc2C1 32817167 LNMWAYXBLUVLSP-JTQLQIEISA-N 385.352 3.749 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 11965339 GLVLXZGFFLMJAV-UHFFFAOYSA-N 381.457 3.935 0 40 GHAB Nc1nc2c(c(-c3ccccc3)n1)CN(c1ccc(Br)cc1)C2=O 1725301 ARSAHTBHQNWBAF-UHFFFAOYSA-N 381.233 3.649 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)CN(C)c2ccccc2SC)c1 79019993 GXJMGWXUWJCCKR-UHFFFAOYSA-N 385.533 3.965 0 40 GHAB O=C(NC[C@H]1CCOC1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1 41366490 JXDWIAWFQCIPJA-LLVKDONJSA-N 380.275 3.823 0 40 GHAB CC(C)(C)c1nnc(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)s1 102997513 FFEWKKTWQVCBFP-UHFFFAOYSA-N 388.474 3.940 0 40 GHAB CN(Cc1ccc(Br)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 22024960 PTAYVPVLGPENLC-UHFFFAOYSA-N 392.684 3.971 0 40 GHAB Cc1cc(C(=O)COC(=O)/C=C/c2cccc(Br)c2)c(C)n1C 4828177 HTBQCZJEISEXEN-BQYQJAHWSA-N 376.250 3.844 0 40 GHAB COCCCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccco1 4861163 XYLBUGZKLRMCIT-UHFFFAOYSA-N 387.461 3.558 0 40 GHAB CCOc1ccccc1OCCCC(=O)Nc1ccc(N2CCOCC2)cc1 6248785 ZMEJFRQCEIJFPB-UHFFFAOYSA-N 384.476 3.720 0 40 GHAB O=C([C@@H](Sc1nncn1Cc1ccco1)c1ccccc1)N1CCCCC1 22193821 UBTLIZYZGAOOCC-SFHVURJKSA-N 382.489 3.765 0 40 GHAB C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(F)cc3)c2)C1 6680893 IVGYWFJRETXFOU-LBPRGKRZSA-N 382.482 3.560 0 40 GHAB Cc1ccc(C)c(NS(=O)(=O)c2csc(C(=O)Nc3cc(C)on3)c2)c1 6681815 KRSHDJTYEDNBCI-UHFFFAOYSA-N 391.474 3.714 0 40 GHAB Cc1cccc(-c2nnc3sc(NC(=O)[C@H](C)Oc4ccccc4)nn23)c1 6818254 LOUULVQQUXZGRI-ZDUSSCGKSA-N 379.445 3.567 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ccc2c(c1)OCCCO2 6879402 WBXSUADFSDTBAI-AWEZNQCLSA-N 398.484 3.704 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(F)cc2)cc1Cl 7939688 DPLIINMXRHUCDB-UHFFFAOYSA-N 392.814 3.688 0 40 GHAB O=C(CCSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(F)cc1 12273997 JRSHKAANDFBBBK-UHFFFAOYSA-N 377.832 3.576 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)Nc2ccccc2F)CC1 10464640 MVEJGLXCMFWXAP-UHFFFAOYSA-N 384.407 3.724 0 40 GHAB CCc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 8114761 DIIJSJLJJHWOPC-UHFFFAOYSA-N 386.517 3.605 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3)C2)cc1 792289 DLUMBTNWHAGHAN-HNNXBMFYSA-N 392.908 3.688 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1OC 104121325 FXMCUCYXLOMDPO-AESZEHBQSA-N 399.491 3.627 0 40 GHAB FC(F)(F)COc1ccc(Cl)cc1NCc1nnnn1-c1ccccc1 47331262 GQTOABSCOWEMHV-UHFFFAOYSA-N 383.761 3.869 0 40 GHAB Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 983222 KWPXBLCYGFCXTK-LBPRGKRZSA-N 391.240 3.888 0 40 GHAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 61720571 YEQVTXBEJBCKLA-UHFFFAOYSA-N 387.395 3.934 0 40 GHAB Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2CNCCn2ccnc2)c1 23625123 BMNUORWUGXKPNC-UHFFFAOYSA-N 375.451 3.973 0 40 GHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 105725034 BCTVDXJDRNLMQI-YQQAZPJKSA-N 394.437 3.816 0 40 GHAB CC(C)Cc1nc2sc3c(SCC(N)=O)ncnc3c2c2c1CCCC2 1307231 BNBLGWBQXMYVCR-UHFFFAOYSA-N 386.546 3.894 0 40 GHAB Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(Nc3ncccn3)c2)c1C 24976643 WWAXJHDEWCYRQY-UHFFFAOYSA-N 389.459 3.548 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)N(Cc3ccco3)Cc3ccco3)CC2=O)cc1 28580636 XTBJIAHLRKYBOW-QGZVFWFLSA-N 378.428 3.763 0 40 GHAB Cc1ccc(C)c(-c2csc(NC(=O)c3cccc(OCC(N)=O)c3)n2)c1 12552509 JLKFINBPQXIJKW-UHFFFAOYSA-N 381.457 3.543 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)c1 25740737 KJLVRTIMJXXXNC-UHFFFAOYSA-N 397.481 3.719 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC(=O)N(Cc1ccccc1)Cc1ccco1 8510070 BKAWPTLIKRTBID-UHFFFAOYSA-N 387.439 3.527 0 40 GHAB CCCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 20765826 DMTAZKIWKYTBPZ-UHFFFAOYSA-N 386.517 3.748 0 40 GHAB COc1ccc(S(=O)(=O)Oc2ccccc2C(=O)Oc2ccccc2)cc1 2069534 JYINXCODTWPCKJ-UHFFFAOYSA-N 384.409 3.682 0 40 GHAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)NC[C@H]3CCCO3)s2)cc1C 10212294 DKGTXIYEIRULLT-UKRRQHHQSA-N 392.550 3.674 0 40 GHAB O=C(CCC(=O)OCC(=O)c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 2191094 WOVPXCPMDGARBX-UHFFFAOYSA-N 397.324 3.989 0 40 GHAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cncc(Br)c1 20609873 PRXQCDNPJXCFPL-UHFFFAOYSA-N 394.232 3.830 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)c(C)c1 10667009 HJEAQJWLNGAMDF-JOCHJYFZSA-N 395.480 3.967 0 40 GHAB O=C1N(Cc2ccc3c(c2)OCO3)c2ccccc2[C@]1(O)c1c[nH]c2ccccc12 2332204 CBNMPJYAQVKNPP-DEOSSOPVSA-N 398.418 3.679 0 40 GHAB CCn1ncc2c(C(=O)Nc3nn(C)cc3Cl)cc(-c3ccccc3)nc21 36615834 MMWGZQQKMOIFSR-UHFFFAOYSA-N 380.839 3.757 0 40 GHAB COc1ccccc1CN(C)C(=O)CCn1c(-c2cccc(C)c2)n[nH]c1=S 12804409 LNDJKGHUVHHNDE-UHFFFAOYSA-N 396.516 3.973 0 40 GHAB COCCn1c(C)cc(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c1C 3429108 DHBLMCLQKMXLAI-ZDUSSCGKSA-N 389.517 3.977 0 40 GHAB CCCn1c(C)cc(C(=O)CSc2nnnn2-c2ccccc2OCC)c1C 3534235 GYTKAAZBXFFBCH-UHFFFAOYSA-N 399.520 3.864 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(S(C)(=O)=O)cc2)cc1 12940697 NPNLAKGHAZCIQP-HXUWFJFHSA-N 387.501 3.856 0 40 GHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1C(=O)CSC1=O 12914400 DWSJYHQCDBRORS-UHFFFAOYSA-N 392.484 3.624 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCC[C@H]2C)c1 13005645 NCORJLYDECOMNN-CXAGYDPISA-N 386.945 3.679 0 40 GHAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)NCCOc1ccccc1 8727720 LSUJQLJPXWTJRZ-QGZVFWFLSA-N 395.528 3.671 0 40 GHAB COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc(OC)c1O 8769774 YLSJMJJVVSHFFZ-INIZCTEOSA-N 393.443 3.686 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 4090324 GRYPOWRGNBRVGT-NRFANRHFSA-N 389.455 3.784 0 40 GHAB biogenic,in-vitro CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)c2c(nc(=S)[nH]c2O)N1 5071799 AKWQPZAMMYECFQ-CYBMUJFWSA-N 375.425 3.767 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 5045458 GYCFLJZMFDJMGS-DOJUMQAQSA-N 389.904 3.569 0 40 GHAB C[C@@H](OC(=O)c1cccn1C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 5205150 RKPBGOHYADEXLK-SNVBAGLBSA-N 391.399 3.611 0 40 GHAB C[C@@H](CC(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 4516121 GPPOADHJNKHHGJ-SCUMNGBJSA-N 398.503 3.518 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)OCc1ccccc1Oc1ccccc1 6544261 LGCSDKVXSQLCRL-UHFFFAOYSA-N 386.407 3.932 0 40 GHAB COc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22906961 MDWRNAVDXLIHAI-HXUWFJFHSA-N 376.456 3.818 0 40 GHAB COC(=O)CN1C(=O)S/C(=C/c2ccccc2OCc2cccc(C)c2)C1=O 4689014 MZIHXGXHGPSMHJ-WOJGMQOQSA-N 397.452 3.783 0 40 GHAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)cc1 6649307 MZVCWTSLLGUDAP-NRFANRHFSA-N 380.488 3.967 0 40 GHAB O=C(CSc1nc(-c2ccccc2)cs1)NC(=O)NCc1ccccc1 6789695 WXRZLNLITZYSED-UHFFFAOYSA-N 383.498 3.928 0 40 GHAB C[C@@H]1C[C@@H](C)[C@H]2N(C1)c1cc(Cl)ccc1CC21C(=O)OC(C)(C)OC1=O 4915551 FYAHIASZIXZWBI-XHBSWPGZSA-N 377.868 3.570 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 22340409 NDJXFDBGGBPUKR-GOSISDBHSA-N 388.533 3.564 0 40 GHAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 7124919 CVZFVDGWRKXGIL-NRFANRHFSA-N 399.878 3.698 0 40 GHAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1ccccc1OC 9134041 XOLOOFOKPWIRGC-UHFFFAOYSA-N 398.415 3.623 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cc1 7509666 IPDIVWWXOQYENE-SUMWQHHRSA-N 388.851 3.563 0 40 GHAB CCOc1ccc(C(C)=O)cc1COC(=O)c1cccc(N2CCCC2=O)c1 7621350 HSAPZXDDENYCOD-UHFFFAOYSA-N 381.428 3.772 0 40 GHAB COc1ccc(CN(C)C(=O)CSc2ccc(F)cc2)c(OC)c1OC 7624422 FVCSERBUWVDNER-UHFFFAOYSA-N 379.453 3.602 0 40 GHAB Cn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nc2sccc2c1=O 7779153 NUHDVYNQNLPRPF-UHFFFAOYSA-N 390.877 3.991 0 40 GHAB O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)N1CCOC1=O 7823130 YBFKBSDGAXKZAV-UHFFFAOYSA-N 389.433 3.568 0 40 GHAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)C3CCCCC3)cc2c1 9281058 XVIIWRKVMMRZLH-UHFFFAOYSA-N 391.471 3.907 0 40 GHAB CSc1ccccc1NC(=O)CN(C)C(=O)CCc1c[nH]c2ccccc12 7989470 LEEVUMJCMWXDFB-UHFFFAOYSA-N 381.501 3.920 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc([C@@H]2C[C@H]2C)o1 16433775 QDKPCAIIKIDNMD-HLLBOEOZSA-N 381.476 3.599 0 40 GHAB Cc1cc(C)c2c(n1)sc1c(=O)n([C@H](C)C(=O)N(C)c3ccccc3)cnc12 8194573 SKQLVFBICXQBNU-CQSZACIVSA-N 392.484 3.847 0 40 GHAB Cc1ccc2c(c1)CCCN2Cc1cc(=O)n2cc(Br)ccc2n1 8129144 SOZDJPGEQSAAKD-UHFFFAOYSA-N 384.277 3.718 0 40 GHAB CCn1c(=O)c(C)nc2cc(C(=O)N(Cc3ccc(OC)cc3)C3CC3)ccc21 8232707 OUXSBIZYRMFSHS-UHFFFAOYSA-N 391.471 3.538 0 40 GHAB Cc1cccc(C(=O)N2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c1 306133948 NABZDMIHUIFOHY-OAQYLSRUSA-N 379.485 3.735 0 40 GHAB Brc1ccc(C2(c3nnc([C@@H]4CCCO4)o3)CCOCC2)cc1 71889913 WGCHCEYGJPWBCA-AWEZNQCLSA-N 379.254 3.780 0 40 GHAB Cc1sc2nc(S[C@@H]3C[C@H](C)OC3=O)n(C3CCCC3)c(=O)c2c1C 84065443 JTYYTHTWELAIPZ-TVQRCGJNSA-N 378.519 3.986 0 40 GHAB O=C(c1nc(Br)cs1)N1CCC(COc2ccccc2)CC1 97102738 LYRWLDBHBBEIAR-UHFFFAOYSA-N 381.295 3.837 0 40 GHAB COc1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1OC 72294153 PFKYISZJIJCRCO-QGZVFWFLSA-N 383.492 3.832 0 40 GHAB CN1C[C@@H](NC(=O)c2ccc(COc3ccc(F)cc3)o2)[C@H](c2ccccc2)C1 95448275 RGUKOPCUGJZQRD-LEWJYISDSA-N 394.446 3.825 0 40 GHAB COc1ccc(O)c(-c2ccnc3c(-c4ccc(OC)c(OC)c4)cnn23)c1 95472480 SYZTZCKQYULIQE-UHFFFAOYSA-N 377.400 3.795 0 40 GHAB Cc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4)n3)c2C)cc1 6914338 PKXDIHPYFDPKLA-UHFFFAOYSA-N 376.445 3.655 0 40 GHAB aggregator COc1ccc(OC)c(CC(=O)N[C@@H](C)c2ccc(Br)cc2)c1 20029768 RBCNLNROVBZQKQ-LBPRGKRZSA-N 378.266 3.886 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 25147608 YWXJCWRPZQJAPL-LJQANCHMSA-N 399.491 3.547 0 40 GHAB O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@H](C(=O)O)c1ccccc1 36569296 MLTWNDIUYICJLA-KRWDZBQOSA-N 386.860 3.948 0 40 GHAB Cc1cc(C)nc(Nc2ccc(C(=O)NC[C@H]3CCCN4CCCC[C@@H]34)cc2)n1 526052346 AQKPYBIWXSAEIA-CTNGQTDRSA-N 393.535 3.831 0 40 GHAB biogenic COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccccc1OC)CC(C)(C)O2 219503270 BYHQXSLQPWOPLS-RHSMWYFYSA-N 385.460 3.890 0 40 GHAB COc1ccc([C@@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1OC 38756648 XAYXSWHWIJEANV-LLVKDONJSA-N 387.860 3.677 0 40 GHAB NC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cccc3cccnc23)C1 72352540 WZUDIVDGTBRGGG-HNNXBMFYSA-N 388.496 3.933 0 40 GHAB Cn1nc(-c2cc(OCC(=O)O)c(Cl)cc2F)c(Cl)c1OC(F)F 34626218 YXIIPOGUBVYZIW-UHFFFAOYSA-N 385.125 3.598 0 40 GHAB O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1cccc(F)c1 43524075 OAGHABUQRLYUQO-UHFFFAOYSA-N 388.324 3.788 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)N1CCc2cc(-c3ccncc3)ccc21 225640024 AKYYEMBSJPJZGS-UHFFFAOYSA-N 384.432 3.648 0 40 GHAB NC(=O)[C@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)C1 45887741 ZWRSAVXLQLVEAP-JTQLQIEISA-N 390.226 3.640 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222672016 BEZYDYUYZOUUEA-GOSISDBHSA-N 382.504 3.706 0 40 GHAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2c(-c3ccccc3)nc3sccn23)C1 40059856 XSULWYUXTRRZNA-OAHLLOKOSA-N 398.488 3.870 0 40 GHAB CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2Cc3ccccc3C2)n1 225883233 VEPGHXRZEAKIAC-UHFFFAOYSA-N 396.564 3.684 0 40 GHAB CC[C@H](C(=O)N(C)Cc1ccccc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220557577 OFENKTGNUJSJON-HXUWFJFHSA-N 388.533 3.507 0 40 GHAB Cc1cc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)ccc1F 225610477 DCACQAYPFQYDNK-UHFFFAOYSA-N 395.843 3.658 0 40 GHAB CCn1c(Cl)nc2cc(C(=O)NCCC(=O)Nc3cccc(C)c3)ccc21 222551061 SJRFJYYICMWJNX-UHFFFAOYSA-N 384.867 3.777 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)C(F)F)cc1 43453273 MAVFXHAQNYIGTB-UHFFFAOYSA-N 388.823 3.701 0 40 GHAB Cc1nccn1-c1ccc(CNC(=O)C2(c3ccccc3)CCOCC2)cc1 223220382 SZSAUZMNLGRJGN-UHFFFAOYSA-N 375.472 3.545 0 40 GHAB O=C(COc1ccccc1F)Nc1nnc(COc2cccc3ccccc23)o1 77180421 NWQFIJURAKXEOF-UHFFFAOYSA-N 393.374 3.958 0 40 GHAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 580073204 CGUXQQJIPAXAPA-DQLDELGASA-N 388.467 3.967 0 40 GHAB O=S(=O)(NCC(O)(c1cccs1)c1cccs1)c1ccccc1Cl 90617367 OXHPDQWEWXKXNF-UHFFFAOYSA-N 399.946 3.677 0 40 GHAB CCc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 240635178 AEUGEAGEMFHZCF-UHFFFAOYSA-N 380.897 3.616 0 40 GHAB CCc1ncc(CN2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCCN3C(C)=O)cn1 257230720 GDQCJHBEZBTGSV-FDFHNCONSA-N 378.520 3.756 0 40 GHAB C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)Cc1cccnc1 257221404 DOXYLVNVQWMXSX-JOCHJYFZSA-N 379.435 3.880 0 40 GHAB C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC[C@H]1C(=O)O 630569133 VUROMXUTMKBGSW-WCQYABFASA-N 391.374 3.727 0 40 GHAB C[C@@H](Cc1ccc2c(c1)CCCC2)N[C@H](C)Cn1ncc2ccccc2c1=O 657934399 AFLLHCQOCKRHJF-ZWKOTPCHSA-N 375.516 3.885 0 40 GHAB COCCn1cc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c2ccccc21 48302667 CWOOOUZUVPEBBS-NRFANRHFSA-N 399.922 3.974 0 40 GHAB O=C(Cc1ccccn1)NC1CCN(CC2(c3ccccc3)CCCC2)CC1 72393411 KDSWMNSLEKPDCR-UHFFFAOYSA-N 377.532 3.717 0 40 GHAB Cc1ccc(N(C(=O)c2cccc(Cl)c2)[C@@H]2C=CS(=O)(=O)C2)cc1C 5071199 HKVZKGYNDVYPLM-GOSISDBHSA-N 375.877 3.914 0 40 GHAB O=C1N[C@@]2(C[C@@H]3CC[C@H]2C[C@@H]3C(=O)N2CCCCCCC2)Nc2ccccc21 12142540 POMZJZODTPGLOA-MQKZXWNDSA-N 381.520 3.767 0 40 GHAB Cc1noc(C)c1CCNc1ncc(-c2cnccn2)c(-c2cccs2)n1 12186301 ZSDRLJPHUAHEAI-UHFFFAOYSA-N 378.461 3.922 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 12198526 UITDMNITZLNYPG-UHFFFAOYSA-N 384.379 3.633 0 40 GHAB CC(=O)N1c2ccc(NC(=O)c3nn4c(C)cc(C)nc4c3Cl)cc2C[C@@H]1C 12204496 HYXUZYDPNWSTBJ-NSHDSACASA-N 397.866 3.549 0 40 GHAB CC(=O)N1CCCc2cc([C@H](O)CN3CC=C(c4ccc(F)cc4)CC3)ccc21 12291161 LOLAGMUUKAEGDQ-XMMPIXPASA-N 394.490 3.948 0 40 GHAB Cc1cccc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 12543634 XGVMMJBVAWNMSU-UHFFFAOYSA-N 384.423 3.525 0 40 GHAB COc1ccc2cc(CNc3ccc(N4CCOCC4)c(Cl)c3)c(=O)[nH]c2c1 13564842 GCAUIVLFGNSASF-UHFFFAOYSA-N 399.878 3.639 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715438 POUWJNMEEAPORZ-KRWDZBQOSA-N 398.887 3.971 0 40 GHAB COc1ccc(-c2csc(CCNC(=O)[C@H](C)n3cc(Cl)cn3)n2)cc1 19080192 OUTCTBUNEZBZBT-LBPRGKRZSA-N 390.896 3.589 0 40 GHAB O=C(Nc1ccccc1CN1CCOCC1)c1cc(-c2ccccc2F)no1 19349197 JUFATRCZEJAMCK-UHFFFAOYSA-N 381.407 3.565 0 40 GHAB c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCC3)CC2)cc1 19369600 ZMSPJIQWFOCDOI-JOCHJYFZSA-N 394.567 3.828 0 40 GHAB Clc1cc2c(cc1CN1CC[C@H](c3nc(-c4ccncc4)no3)C1)OCO2 19405880 DTIFUGCUOAGPNJ-ZDUSSCGKSA-N 384.823 3.503 0 40 GHAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CN2CCCCCC2=O)n1 19581703 XXTFYKZAEBKPJS-UHFFFAOYSA-N 382.489 3.941 0 40 GHAB Cc1ccc(-c2nc(CSc3nc4c(=O)[nH]c(C)nc4n3C)c(C)o2)cc1 19625874 DJQWPYGHOMCTHJ-UHFFFAOYSA-N 381.461 3.529 0 40 GHAB biogenic,in-vitro CN1CC=CC[C@]2(CCCN(C(=O)C3(c4cccc(F)c4)CCCC3)C2)C1=O 19742605 NDAMHCWFYCIQRL-JOCHJYFZSA-N 384.495 3.665 0 40 GHAB COc1ccc2cnc([C@H]3CCCN(C(=O)c4c(Cl)cnn4C)C3)cc2c1C 12187969 ZRYGANOVILHKIV-HNNXBMFYSA-N 398.894 3.959 0 40 GHAB COc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2cccc(OC)c2)CN3C(C)=O)cc1 19019505 OBYMWDYCBQZIIE-HJOGWXRNSA-N 394.515 3.540 0 40 GHAB Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1NS(C)(=O)=O 30221912 WJDOISMGRTWEET-UHFFFAOYSA-N 398.484 3.802 0 40 GHAB COC(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1 40128944 MVXQXXQUAPWWRJ-MRXNPFEDSA-N 396.468 3.909 0 40 GHAB CCOc1c(Br)cc(Br)cc1CNc1cnn(C)c1 37259831 IFWDBAYIZPSBLA-UHFFFAOYSA-N 389.091 3.956 0 40 GHAB Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)c1 8977177 GBSRBVHESXPODA-UHFFFAOYSA-N 396.468 3.587 0 40 GHAB O=c1ccc(-c2ccc(F)cc2)nn1CCc1nc(-c2ccc(Cl)cc2)no1 33309855 HDXRIAPXLCRFCY-UHFFFAOYSA-N 396.809 3.996 0 40 GHAB O=C(COc1ccccc1)N1CCC[C@@H](c2nnc(Cc3ccc(F)cc3)o2)C1 35596880 OBCSWHAHKLZACV-QGZVFWFLSA-N 395.434 3.585 0 40 GHAB O=S(=O)(NCc1ccc(-c2ccco2)nc1)c1ccccc1OC(F)(F)F 225753874 QMVOXRBIMIOEBM-UHFFFAOYSA-N 398.362 3.719 0 40 GHAB Cc1cc(O[C@H]2CCCN(C(=O)c3cccc(Br)c3)C2)nc(C)n1 575609168 KCHLHQGARDVWAK-INIZCTEOSA-N 390.281 3.540 0 40 GHAB CCOc1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 8715490 BUWUHSQEGNVXRW-UHFFFAOYSA-N 382.441 3.629 0 40 GHAB O=S(=O)(NC[C@](O)(c1cccs1)C1CC1)c1cc(Cl)ccc1Cl 77099531 BGLGNXRCIYUAPC-OAHLLOKOSA-N 392.329 3.631 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@](O)(c1cccs1)C1CC1 77099489 CHQZTIWNBBGLFV-IBGZPJMESA-N 379.909 3.973 0 40 GHAB O=C(CCc1nc(Cc2ccccc2)no1)N1CCCc2c(F)cc(F)cc21 40133716 YBVCCOCUEGJYIA-UHFFFAOYSA-N 383.398 3.851 0 40 GHAB COc1ccccc1Oc1ccc(NC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 100646742 XDGVDCRIUNNEGV-XPNDLTMMSA-N 379.412 3.624 0 40 GHAB COC(=O)c1ccc([C@@H](C)Sc2nnc([C@@H]3COc4ccccc4O3)o2)o1 31847024 DUCMXOIOJJUUNI-BMIGLBTASA-N 388.401 3.815 0 40 GHAB C[C@@H]1CCc2c(sc3ncn(C[C@@H](O)c4ccc(F)c(F)c4)c(=O)c23)C1 51289819 OJJGKRZRJXTIQP-MEBBXXQBSA-N 376.428 3.595 0 40 GHAB C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 32474822 AOLRMELZDJSCKB-KUHUBIRLSA-N 382.847 3.957 0 40 GHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2COc3ccccc3C2)CC1 32787197 OKOBNLPIUROMSV-KRWDZBQOSA-N 399.922 3.672 0 40 GHAB CCOc1ccc([C@@H]2CCCN2CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 37195877 MGKDPMCXZYEEKX-BPXKWBHBSA-N 385.508 3.680 0 40 GHAB COc1ccc(C(=O)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)cc1 1337187 NVKNLZJNGYSYQG-UHFFFAOYSA-N 397.475 3.920 0 40 GHAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)NC1CCCC1 1353705 XTMOWZYZWWCQLQ-UHFFFAOYSA-N 397.450 3.807 0 40 GHAB CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl 69653224 BAVGWUFLOHILNX-FZMZJTMJSA-N 389.348 3.899 0 40 GHAB O=C(Nc1cccc2ccccc12)N1CCN(Cc2nccn2C(F)F)CC1 78564800 YKRMDPQHDGZRRV-UHFFFAOYSA-N 385.418 3.781 0 40 GHAB CC[C@@H]1[C@H](OC(=O)CC(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 1641784 LGCQVJSQUJNJEC-FYYLOGMGSA-N 379.500 3.729 0 40 GHAB COc1ccc([C@@H](CO)N(C)C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 78947485 KBYHYLUXFNQFIN-MRXNPFEDSA-N 394.855 3.563 0 40 GHAB Cc1nc(NC(=O)COc2ccccc2)sc1Cc1ccc2c(c1)OCO2 32988021 FRFRQMVRENFGRB-UHFFFAOYSA-N 382.441 3.789 0 40 GHAB O=S(=O)(c1ccc(F)cc1)N1CCN=C1SCc1cccc(Cl)c1 2711817 UDVFPEZALYOMFQ-UHFFFAOYSA-N 384.885 3.773 0 40 GHAB CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(OC)c(OC)c1 4852781 CJTANDSZEJPAPN-QVKFZJNVSA-N 384.432 3.872 0 40 GHAB CCOc1ccc(-n2c(C)nnc2SCC(=O)NCc2ccc(C)cc2)cc1 6935133 OACXXYNHINCIIR-UHFFFAOYSA-N 396.516 3.691 0 40 GHAB CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccco1 7341913 SXODTGSSCXCKOQ-UHFFFAOYSA-N 386.521 3.735 0 40 GHAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(Cc2ccccc2)C(C)(C)C1 104731486 VSMBAWUIBLULNL-QGZVFWFLSA-N 376.504 3.581 0 40 GHAB CCOc1ccc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc1OCC 33932409 VMYUDEPIIWCEMC-WJDWOHSUSA-N 396.399 3.696 0 40 GHAB CC(C)OC(=O)C[C@@H](NC(=O)N[C@H](C)Cc1ccc(O)cc1)c1ccccc1 56769123 YPKYKMUEVBRVHK-OXQOHEQNSA-N 384.476 3.705 0 40 GHAB CC(C)CN1CCC(NC(=O)NCc2cc(F)ccc2Br)CC1 57035596 UWIMPFRLVHVIPO-UHFFFAOYSA-N 386.309 3.508 0 40 GHAB CCCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3)C2=O)c1 1779577 PORIVMJODHVTFN-UHFFFAOYSA-N 398.846 3.998 0 40 GHAB C[C@H]1Oc2ccc(N[C@H](C(=O)N3CCCCC3)c3ccccc3)cc2NC1=O 12550598 PGMOTMBIHWFDQJ-QRWLVFNGSA-N 379.460 3.572 0 40 GHAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)NCc2ccccc2)C1 44803632 WKSVSKWHWLTLDO-SFHVURJKSA-N 390.487 3.561 0 40 GHAB CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 27663554 YPUZNAKLWQCVIE-VAMGGRTRSA-N 389.561 3.749 0 40 GHAB O=C(OCC(=O)c1ccccc1Br)c1cc(=O)c2ccccc2o1 3256723 VURCKAPVCGQYIE-UHFFFAOYSA-N 387.185 3.595 0 40 GHAB O=C(Nc1cccc(-c2nccs2)c1)c1ccc(N2C(=O)CCC2=O)cc1 58210176 DZPASGRXCAHVAK-UHFFFAOYSA-N 377.425 3.716 0 40 GHAB CCN(C[C@H]1CCOC1)C(=O)CCc1nc2ccccc2n1-c1ccccc1 58245735 PDIYNRDJYDUKLE-GOSISDBHSA-N 377.488 3.843 0 40 GHAB COCCn1c(-c2ccncc2)nn(CN(Cc2ccccc2)C(C)C)c1=S 3253019 FUNNFLQKFVKZCU-UHFFFAOYSA-N 397.548 3.991 0 40 GHAB CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)S(=O)(=O)c1cccs1 10852726 HANYLAFIFJDPCK-UHFFFAOYSA-N 386.498 3.821 0 40 GHAB COc1ccc(-c2cc(NC(=O)Cc3c(C)nn(C)c3C)ccc2OC)cc1 10865771 LNSOFWQLRPTENM-UHFFFAOYSA-N 379.460 3.902 0 40 GHAB COc1ccc(CNC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1 11388150 KBKCXKXRPXWDRL-UHFFFAOYSA-N 387.863 3.630 0 40 GHAB CSc1ccc(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1 2514727 ULWNEUGIWIZULC-UHFFFAOYSA-N 383.513 3.978 0 40 GHAB CC[C@H](NC(=O)CNC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1 11740044 KYOOUQLPHKGHID-KRWDZBQOSA-N 377.847 3.546 0 40 GHAB CCc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 48341143 WLICTTLTNSEVSA-AWEZNQCLSA-N 398.937 3.756 0 40 GHAB COCCn1ccnc1[C@@H]1CN(Cc2cccc(OC)c2)Cc2ccccc21 306125744 DARSXGCQVMKTLR-JOCHJYFZSA-N 377.488 3.686 0 40 GHAB O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1CCCCN1C(=O)c1cccs1 12890727 IVXRGLZAQDIWBV-AWEZNQCLSA-N 380.416 3.983 0 40 GHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Br)cc1F 12978979 VVZKQBCJSCCZNX-UHFFFAOYSA-N 391.240 3.867 0 40 GHAB CSc1ncc(C(=O)Nc2cccc(-c3nnco3)c2)n1-c1ccccc1 23146772 CYNSBEVKVIZDFS-UHFFFAOYSA-N 377.429 3.897 0 40 GHAB COc1ccc(CCc2nn3c(-c4ccc(F)cc4)nnc3s2)cc1OC 13692867 XGSCOVXZKJKEPX-UHFFFAOYSA-N 384.436 3.794 0 40 GHAB CC(C)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 14048152 ZUWGPOJXAAHUQQ-UHFFFAOYSA-N 380.448 3.589 0 40 GHAB COc1ccc(NC2=N[C@@H](c3ccc(Cl)cc3)n3c(nc(C)cc3=O)N2)cc1 5345903 RKPYHLMPMWOBBZ-GOSISDBHSA-N 395.850 3.654 0 40 GHAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)o1 4555130 WRPYUVWVVCMPHC-QHCPKHFHSA-N 375.424 3.904 0 40 GHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@H](C)CCCC(C)C 14231720 OTMZKJKVDGEJAT-LLVKDONJSA-N 385.434 3.633 0 40 GHAB O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)CCCC2 5403216 RVVULWZTDSZGDH-UHFFFAOYSA-N 388.880 3.600 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1cc(C)ccc1C)S2 6811814 WJRYYLHDJNRAKA-MOPGFXCFSA-N 393.516 3.855 0 40 GHAB CSc1ccc(C(=O)CSc2nncn2-c2ccccc2)cc1NC(C)=O 9116812 YXEBEFTZOSSBCE-UHFFFAOYSA-N 398.513 3.923 0 40 GHAB Cn1cc([C@H]2c3ccccc3C(=O)N2CC(=O)NCc2ccco2)c2ccccc21 9192396 XTAGEHYDGAECFO-HSZRJFAPSA-N 399.450 3.633 0 40 GHAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(Cl)cc1Cl 15879730 CKFQRTMKITWRLR-UHFFFAOYSA-N 391.210 3.630 0 40 GHAB Cc1cccc2nc(CN3CCC[C@@H]3c3nc4ccccc4s3)cc(=O)n12 7606230 YMVLTKJZTWZPJY-QGZVFWFLSA-N 376.485 3.950 0 40 GHAB CCCCn1nnnc1CSc1nnc(Nc2ccccc2OCC)s1 9377652 YURVTTCCJYWMCG-UHFFFAOYSA-N 391.526 3.759 0 40 GHAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnnn2C(C)(C)C)o1 8324056 APUSHHZRFOMALO-UHFFFAOYSA-N 397.464 3.734 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 17077141 WXMJQYDLFYIBAG-LRDDRELGSA-N 377.282 3.911 0 40 GHAB CCOc1ccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)c(C)c1 72314313 YTKICXFMTDPDFD-UHFFFAOYSA-N 397.519 3.672 0 40 GHAB Cc1csc(CN(C[C@H]2CCCO2)C(=O)COCc2ccccc2Cl)n1 72303180 GDJQXKHXIQSPDM-MRXNPFEDSA-N 394.924 3.829 0 40 GHAB Fc1ccc(CSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)cc1 72235795 DBHCJMSPXPUHST-QGZVFWFLSA-N 376.501 3.879 0 40 GHAB Cc1ccc(C(=O)NCCC(=O)OCc2cc3ccccc3nc2Cl)c(O)c1 95952847 SXOMERQXINEZNE-UHFFFAOYSA-N 398.846 3.766 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 113965895 OUBAVTZEBPLIIA-QGZVFWFLSA-N 388.533 3.798 0 40 GHAB Cc1cc(=O)[nH]c(-c2ccc(NCc3ccc(F)cc3C(F)(F)F)nc2)n1 89568365 YDYXSADTUXIEJR-UHFFFAOYSA-N 378.329 3.910 0 40 GHAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 89633484 XUHOKVCMPRLMMU-UHFFFAOYSA-N 386.517 3.651 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)NC2CCCCCC2)ccc1OCC 408585897 KQKAPKGKNKKTDD-UHFFFAOYSA-N 384.498 3.655 0 40 GHAB O=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1cccc(C(F)(F)F)c1 67260031 MAQWMTHDXGFPQT-UHFFFAOYSA-N 388.324 3.764 0 40 GHAB CCOc1ccc(C(=O)CCC(=O)NC[C@H](O)c2cccc(Cl)c2)cc1 32915244 LRUGQASKPIZIAR-IBGZPJMESA-N 375.852 3.551 0 40 GHAB CC(C)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 36718845 VHORKIFMLIWENH-UHFFFAOYSA-N 380.897 3.868 0 40 GHAB Cc1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 30254273 NXAMGCGDMYVDGG-UHFFFAOYSA-N 391.437 3.947 0 40 GHAB CCN(Cc1cccc(NC(=O)Cc2cccc(OC)c2)c1)C(=O)C(F)(F)F 36396348 HCHAUQPYPKQEOY-UHFFFAOYSA-N 394.393 3.787 0 40 GHAB Cc1cccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2ccccc2)CC1 72340672 XRIBKPOUWULPSN-DEOSSOPVSA-N 391.490 3.933 0 40 GHAB O=C(O)[C@H](c1c[nH]c2ccc(Cl)cc12)N1CCN(Cc2cccs2)CC1 32103521 AWMCTVXBIHSFIT-SFHVURJKSA-N 389.908 3.826 0 40 GHAB Cc1ccc(NC(=O)C(C)(C)C)cc1OCc1cc(=O)n2cccc(C)c2n1 33067907 NUPOVLUZHSCZON-UHFFFAOYSA-N 379.460 3.875 0 40 GHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 219328457 RALJYDADXKALEL-RTBURBONSA-N 393.480 3.654 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O)Nc1ccc(Cl)cc1 210808643 UZGHSZPYNSUSKK-OQLLNIDSSA-N 388.832 3.721 0 40 GHAB O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc2c(s1)-c1ccccc1CC2 61582740 MFWDBMCQESMQCZ-AWEZNQCLSA-N 380.435 3.880 0 40 GHAB CN1C(=O)CC[C@@H](C(=O)NCCCc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 223282054 RXLBWDSAGHTJJE-TZIWHRDSSA-N 386.442 3.623 0 40 GHAB COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccccc1C 224100977 JIOSXMWMAVCTSJ-UHFFFAOYSA-N 390.439 3.934 0 40 GHAB Cc1nnnn1-c1ccc(-c2nc([C@H]3CCCc4ccccc43)no2)c(F)c1 574765350 XOHIMVJZZDILFS-INIZCTEOSA-N 376.395 3.628 0 40 GHAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccn2)c1 225730736 LEYLKYOLMACQFF-UYRXBGFRSA-N 377.469 3.539 0 40 GHAB CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC)cc1 225405041 ACNLMJJWPHIXBP-INIZCTEOSA-N 386.923 3.998 0 40 GHAB O=C(N[C@@H]1C[C@H]2C(=O)Nc3ccccc3N2C1)c1ccc(-c2cccs2)cc1 225628507 GJMDSAGUFVEWDA-APWZRJJASA-N 389.480 3.745 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1 225921702 RQGXBQNRQPHVTG-SFHVURJKSA-N 386.517 3.651 0 40 GHAB C[C@@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)CCc1ccccc1 222766451 VQLUFKJIBCCELX-IBGZPJMESA-N 390.483 3.946 0 40 GHAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cnn(C(C)C)c2)S1 96116652 IDGNWFWFGBWZNU-GOEBONIOSA-N 389.525 3.970 0 40 GHAB Cc1cccc(NC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)c1 96037632 CJKPHIVUZFILMT-UHFFFAOYSA-N 375.476 3.982 0 40 GHAB CCCN(CCC)[C@@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 90448138 WUPQPTKGVPEEBC-NRFANRHFSA-N 381.472 3.917 0 40 GHAB Cc1ccccc1NC(=O)N1CCc2c(CN3CCCC3)nn(C(C)C)c2C1 96255945 QKOSAIBCAYSPPM-UHFFFAOYSA-N 381.524 3.958 0 40 GHAB O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96238384 SUVQNFMQEMMWCW-HXUWFJFHSA-N 388.389 3.975 0 40 GHAB Cc1cccc(C)c1N(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O 244006718 SIJMDUITIXWWSX-UHFFFAOYSA-N 384.860 3.501 0 40 GHAB COc1cccc(CN2CCCC[C@@H]2c2nnc(-c3cccnc3)o2)c1OC 257307220 SXRWKUDNZLPIFQ-QGZVFWFLSA-N 380.448 3.876 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)Cc3ccccc3F)C2)ncn1 257284390 PCMMBEKAXXPXIN-MRXNPFEDSA-N 394.450 3.521 0 40 GHAB Cn1ccnc1-c1cc(C[C@@H]2CCCN(C(=O)CC3CCCCC3)C2)ncn1 257258996 KWJXKHJITCIEMG-SFHVURJKSA-N 381.524 3.629 0 40 GHAB O=C1COc2cc(C(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)ccc2N1 618118043 QSLXNDOAYHAZOF-MRXNPFEDSA-N 375.428 3.519 0 40 GHAB Oc1cc([C@@H]2CCN(Cc3ccc(Oc4ccccc4)c(F)c3)C2)nc(O)n1 1659235016 GVOSDQIIWILZJK-OAHLLOKOSA-N 381.407 3.809 0 40 GHAB CN(C)c1ncc(CN[C@H]2CCCCc3cc(Br)ccc32)cn1 657786337 OLVGYBBRHWNAQX-KRWDZBQOSA-N 375.314 3.862 0 40 GHAB Cc1ccccc1-n1cc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)nn1 665519718 PDYMCLURERKFPT-GOSISDBHSA-N 392.463 3.594 0 40 GHAB O=C(O)Cc1ccccc1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 676211947 VDIREFCJCDZBDE-HNNXBMFYSA-N 395.484 3.779 0 40 GHAB Cc1cc2nc(-c3ccc(CNC(=O)[C@H]4CCc5nccn5C4)cc3)[nH]c2cc1C 682509028 ANJWOMOETNBCSS-IBGZPJMESA-N 399.498 3.922 0 40 GHAB Cc1ccc2sc(C(=O)N3CCN(c4ccc(CN(C)C)cn4)CC3)cc2c1 685739832 RSKUKOMDLUVNPG-UHFFFAOYSA-N 394.544 3.629 0 40 GHAB CCCc1ncc(CN2Cc3cc(C)ccc3OC3(CCN(CC)CC3)C2)cn1 72394202 KUUOMXFSBGYSOK-UHFFFAOYSA-N 394.563 3.987 0 40 GHAB N[C@@H]1CCCN(c2c(/C=C3/SC(=O)NC3=O)cccc2-c2ccccc2)C1 95930183 MCUJKPPARUPFJM-YAJBTMAUSA-N 379.485 3.605 0 40 GHAB in-man CC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)c1csnn1)C1CCCCC1 5976514 DXNNVXCWEMKIIJ-MRXNPFEDSA-N 390.509 3.562 0 40 GHAB CC(C)c1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4CCCC4)ncc32)no1 12220459 FHRLAKOWJWCMPD-INIZCTEOSA-N 383.496 3.632 0 40 GHAB COc1ccc(C)cc1NC(=O)c1nnc2c(-c3ccccc3)c(C)nn2c1C 13610763 MHGMODINVYMCQQ-UHFFFAOYSA-N 387.443 3.977 0 40 GHAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 14000052 DMQFUTVCPMAHPK-PCUGXKRQSA-N 384.863 3.901 0 40 GHAB NC(=O)c1ccc(CSc2nnc(NCCc3cccs3)s2)cc1 14197531 PMBFFDDMJNFLBZ-UHFFFAOYSA-N 376.532 3.645 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CNc1ccc(F)cc1Cl 15293286 XGXJZNWWLYOFRM-UHFFFAOYSA-N 384.238 3.608 0 40 GHAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C1=O 205784423 GBQIWZBTMMSTNW-WOJGMQOQSA-N 398.484 3.753 0 40 GHAB CO[C@H]1CC[C@H](C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)CC1 257329455 XKBNARBFDIVIGB-SLWLFXMRSA-N 386.536 3.514 0 40 GHAB CC(C)(C)NC(=O)[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Br)C1 1888859522 KDAQFWPDBPJLPT-SECBINFHSA-N 394.235 3.604 0 40 GHAB O=C(c1cc(Br)ccc1Cl)N1[C@H]2CC[C@H]1CC(n1nccn1)C2 238954233 XPELBRYLQVSJTQ-RYUDHWBXSA-N 395.688 3.702 0 40 GHAB CC[C@H](C(=O)N1CCC(COc2ccccc2)(CC(N)=O)CC1)c1ccccc1 2037905301 AQBRLPIORAZTGS-NRFANRHFSA-N 394.515 3.743 0 40 GHAB COc1ccc(C(=O)NC(Nc2cc(C)on2)(C(F)(F)F)C(F)(F)F)cc1 1036953 XNBNXPYTZUNURC-UHFFFAOYSA-N 397.275 3.654 0 40 GHAB CCC(CC)C(=O)Nc1nnc(SCC(=O)Nc2ccccc2F)s1 1381672 VBELJUICXPTMMY-UHFFFAOYSA-N 382.486 3.783 0 40 GHAB Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)cc1 2724953 NLVQYFQUNZKGOC-SANMLTNESA-N 385.876 3.849 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)c1 5252372 FNAKZWGCRGYAEQ-UHFFFAOYSA-N 384.501 3.793 0 40 GHAB CCOc1cccc2c1Oc1nc(-c3ccc(OC)cc3OC)nc(O)c1C2 6748458 JMGBUMKLPKFQFE-UHFFFAOYSA-N 380.400 3.962 0 40 GHAB CN(C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccsc1 8896078 KEICJNYFDQRTPA-CYBMUJFWSA-N 379.334 3.636 0 40 GHAB Cc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)Nc1ccc(F)cc1 12230361 NWYNBZQFTLLNQB-UHFFFAOYSA-N 384.382 3.653 0 40 GHAB CCc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccco3)s2)s1 1775968239 ADEQVZPDYHBKJT-GFCCVEGCSA-N 383.516 3.644 0 40 GHAB Cc1cc(OC(=O)[C@H](C)NC(=O)OCc2ccccc2)c2c(C)cc(=O)oc2c1 2094549 QUWGXIGLUJREOP-HNNXBMFYSA-N 395.411 3.630 0 40 GHAB biogenic CO[C@H]1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242751 NSMQJUCVHYRULG-YDLSIGKMSA-N 376.504 3.838 0 40 GHAB CN1CCN(C(=O)c2ccc(Br)cc2F)[C@H](c2ccccc2)C1 30030141 SZXDJQVZSMRAOZ-KRWDZBQOSA-N 377.257 3.717 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)c1 20060371 BAFNJTQXKBWUBV-MSOLQXFVSA-N 379.489 3.601 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCO[C@H](c2ccc(Cl)cc2)C1 40154706 XMOJOBTYYZKSBH-WBMJQRKESA-N 380.275 3.789 0 40 GHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2ccc(Cl)cc2)c2ccc(Cl)cc21 100485785 OPEJQYRYNBVDCJ-SFHVURJKSA-N 393.270 3.986 0 40 GHAB COc1ccc(C(=O)NCc2ccc(-c3nc4cnccc4o3)cc2)cc1OC 32091294 XJUKVQFJIFTNQY-UHFFFAOYSA-N 389.411 3.837 0 40 GHAB C[C@H](NC(=O)COc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102280332 RRRPKXRIEOGBQQ-FPXQBCRKSA-N 382.460 3.852 0 40 GHAB Cc1nc2c3ccccc3nc(S[C@H](C(=O)N(C)C)c3ccccc3)n2n1 32871552 PGVSLFRJQJNPDR-KRWDZBQOSA-N 377.473 3.508 0 40 GHAB CC(C)(C)c1ccc(OCCC(=O)Nc2ccc(N3CCOCC3)nc2)cc1 32873594 UMYTWYSLPXGJPX-UHFFFAOYSA-N 383.492 3.623 0 40 GHAB CCN(CC(=O)NCc1cccs1)Cc1csc(-c2ccc(C)o2)n1 29696277 RQHFMPQDMGHEEE-UHFFFAOYSA-N 375.519 3.911 0 40 GHAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 2676478 RBXDFWLUVHTLMX-GOSISDBHSA-N 394.496 3.879 0 40 GHAB COc1ccc(N2C[C@H](C(=O)Nc3cc(C(C)(C)C)ccc3OC)CC2=O)cc1 806785 XNISXFDGGUWMDH-OAHLLOKOSA-N 396.487 3.993 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nnc1-c1ccccn1 1362759 OEQHJIAENMGUNC-UHFFFAOYSA-N 381.505 3.645 0 40 GHAB O=C(Cc1n[nH]c2ccccc12)N(Cc1ccccc1)C[C@@H](O)c1cccs1 79072217 KKLPTBHWBANDFV-HXUWFJFHSA-N 391.496 3.929 0 40 GHAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)ccc1OC 8751130 NPWGSGMUOIACED-UHFFFAOYSA-N 396.468 3.523 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccnc2)o1 6100437 NSCGYSUTBFVQKG-UHFFFAOYSA-N 376.825 3.524 0 40 GHAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc(C)cc(C)c3)cc2)CC1 6517665 PTOBLMLJQRYCFH-UHFFFAOYSA-N 396.560 3.572 0 40 GHAB CCN(CC)C(=O)[C@H](Sc1nncn1-c1ccccc1OC)c1ccccc1 6979900 PISXAQAXXIXBMM-LJQANCHMSA-N 396.516 3.978 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1c2ccccc2CC[C@H]1C 7217342 SNAHHZUKSBWPSO-GOSISDBHSA-N 379.504 3.542 0 40 GHAB COc1cccc2cc(C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)c(=O)oc12 2707930 GBXYALANTOLAAT-LLVKDONJSA-N 386.787 3.883 0 40 GHAB biogenic CN(c1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 10113760 JOXZEJJBZZZZCV-UHFFFAOYSA-N 395.322 3.874 0 40 GHAB CCn1cnn(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1=S 22816373 JUVFYNBBGUTHLC-UHFFFAOYSA-N 393.560 3.799 0 40 GHAB CCCCc1nnc(SCCCOc2ccc(C=O)cc2OCC)n1C 8731701 ZKFRCOXMFUPHGZ-UHFFFAOYSA-N 377.510 3.930 0 40 GHAB CC(C)c1ccc(/C=C/C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 28309721 KUUZSRMYMLJZMR-SNQWNFELSA-N 386.517 3.690 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)cc1 103717175 IEWLRAXFUHXFGK-KRWDZBQOSA-N 380.444 3.552 0 40 GHAB COCCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc12 21789100 RXVQBOJKOICZIA-UHFFFAOYSA-N 379.338 3.527 0 40 GHAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1 1146135 NLVPUAFYVYULHA-UHFFFAOYSA-N 384.819 3.881 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 106863889 YXWHAUKPJBUSEA-KGLIPLIRSA-N 392.906 3.823 0 40 GHAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(c2ccccc2)CC1 12564019 KZWSMEPJGTXCPM-UHFFFAOYSA-N 379.435 3.762 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3nc(-c4ccccc4)no3)c12 97134642 VNKDYSDMZZKIDD-UHFFFAOYSA-N 376.372 3.816 0 40 GHAB CCc1ccccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 2064907 LMXCPWXWBNZFQO-UHFFFAOYSA-N 388.533 3.667 0 40 GHAB C[C@H](C(=O)NCc1ccc(F)cc1)N(C)Cc1ccccc1N1CCCCC1 10056281 KNTWEMWVHQKKAH-GOSISDBHSA-N 383.511 3.953 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1cccnc1 10231038 HZBFNERAXHGWHS-UHFFFAOYSA-N 393.394 3.508 0 40 GHAB COC(=O)c1cc(Cl)c(NC(=O)N2CCC[C@H]2c2ccncc2)cc1OC 48113718 OJPWVTCXRHRWPK-INIZCTEOSA-N 389.839 3.899 0 40 GHAB COc1ccc([C@@H](CNC(=O)COc2ccccc2C)N2CCCCC2)cc1 27749256 NHNPJBFPCDYAQE-OAQYLSRUSA-N 382.504 3.726 0 40 GHAB CCn1cnnc1C1CCN(C(=O)c2sc(-c3ccc(C)o3)nc2C)CC1 58341014 NRARSDZLANDWEB-UHFFFAOYSA-N 385.493 3.651 0 40 GHAB C[C@@H]1CCCN(Cc2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2)C1 48227480 XTNICRRQDWBUKH-QGZVFWFLSA-N 392.565 3.605 0 40 GHAB CCN(CC)C(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 11120145 NDWDSRZIVGYUHO-UHFFFAOYSA-N 386.517 3.854 0 40 GHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCCc1nc2ccccc2[nH]1 11486459 APDALULERJFJGH-UHFFFAOYSA-N 376.464 3.560 0 40 GHAB CCN(Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1)C(C)=O 48353636 XWQCCQFZDNGPTP-UHFFFAOYSA-N 384.860 3.648 0 40 GHAB COc1ccc2c(C)c(CCC(=O)Nc3cccc([C@@H](C)O)c3)c(=O)oc2c1 8879767 KUJUGMQFSKRHTE-CQSZACIVSA-N 381.428 3.735 0 40 GHAB biogenic CC(C)[C@@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2 12910859 KBXHSMBKKPBORM-JOCHJYFZSA-N 398.459 3.502 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCc1nc2ccccc2s1 13012038 PJEXLBCWQPTQMP-UHFFFAOYSA-N 392.484 3.514 0 40 GHAB CN(C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)[C@H]1CCS(=O)(=O)C1 13006421 MSSYFBKABAJASD-XOVSCCBYSA-N 395.933 3.727 0 40 GHAB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O 409130873 WXLUFRGUFCQWHU-CXUHLZMHSA-N 387.388 3.526 0 40 GHAB COc1cc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc(OC)c1O 71282167 XWJUAINMYHGFET-ZDUSSCGKSA-N 387.436 3.528 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1C(=O)NC2(CCCCC2)C1=O 14230617 UAROZSNHGSDYLZ-INIZCTEOSA-N 391.471 3.935 0 40 GHAB Cc1nccn1-c1ccccc1CNS(=O)(=O)Cc1c(F)cccc1Cl 20047569 RKFIWZYRKJPHPQ-UHFFFAOYSA-N 393.871 3.593 0 40 GHAB COc1cccc(N2CCN(C(=O)CCC(=O)c3ccc(Cl)s3)CC2)c1 5687577 BFEMTJSICUKJAC-UHFFFAOYSA-N 392.908 3.722 0 40 GHAB COc1cccc(-c2nnc3n(CCc4ccccc4)c(=O)c4ccccc4n23)c1 6781246 DAKRZTZMVYPWKY-UHFFFAOYSA-N 396.450 3.963 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 5788576 PCZDVSCKWMGMMA-SGMGOOAPSA-N 390.343 3.951 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2cccc3ccccc23)c2ccc(C)cc21 4987924 KOCMOYWXSHTETI-DEOSSOPVSA-N 389.451 3.741 0 40 GHAB CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccccc3)c(C(=O)O)s2)CC1 21986867 PTRZPTMQAPOMFR-UHFFFAOYSA-N 389.477 3.565 0 40 GHAB CCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1cc(C)ccc1C 67217047 LGWWPQPDGJGCSF-UHFFFAOYSA-N 387.530 3.682 0 40 GHAB COc1ccc(NC(=O)CCn2c(C)csc2=O)cc1Cc1ccccc1 16274448 URTJIRZVTSRHQZ-UHFFFAOYSA-N 382.485 3.846 0 40 GHAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)cc1 306138980 SMFISPMLMMHMBX-DEOSSOPVSA-N 384.483 3.589 0 40 GHAB CCCn1c(SCC(=O)NCCC2=CCCCC2)nc2ccccc2c1=O 8195112 WJYWJKXVWLWJPY-UHFFFAOYSA-N 385.533 3.905 0 40 GHAB CS(=O)(=O)c1ccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1 8331076 RHBUMUWVODSCDJ-UHFFFAOYSA-N 379.652 3.698 0 40 GHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(OC(C)C)cc2)C1=O 409214659 ZHZDOKOEAQVNGK-ATTDUZETSA-N 377.462 3.852 0 40 GHAB Cc1ccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 18146120 VHWFFJIVTZVHQV-UHFFFAOYSA-N 385.514 3.903 0 40 GHAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(Cl)c1 96791818 FSPYGKFJTPQQBL-UHFFFAOYSA-N 398.816 3.515 0 40 GHAB O=C1CCCc2cc(C(=O)/N=c3\[nH]ccn3Cc3ccccc3Cl)ccc2N1 84505953 NVGOKFHUQOVHQZ-UHFFFAOYSA-N 394.862 3.534 0 40 GHAB Cc1noc(C)c1CSCC(=O)N[C@H](CC(=O)O)c1ccc(Cl)s1 95463979 LDYZKTWCWAWEAZ-LLVKDONJSA-N 388.898 3.572 0 40 GHAB CCC1(CO)CCN(C(=O)c2ccccc2N(C)C(=O)c2cccs2)CC1 95450932 HUHSZGDHJGQWBI-UHFFFAOYSA-N 386.517 3.649 0 40 GHAB COc1ccc(CC(=O)Nc2nc(CCCc3c[nH]c4ccccc34)n[nH]2)cc1 95479951 OMURPOIQCIKFRO-UHFFFAOYSA-N 389.459 3.651 0 40 GHAB COc1ccc(N[C@H]2CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)c(OC)c1 95943607 PZVKXRSGPPQELZ-GJZGRUSLSA-N 380.444 3.723 0 40 GHAB Cc1ccc(-c2csc3ncnc(NC[C@@](C)(O)c4cnn(C)c4)c23)cc1 95961071 QNVCGLUFKRBNKG-HXUWFJFHSA-N 379.489 3.720 0 40 GHAB COc1ccc(C)cc1CN(C)C(=O)c1nn(-c2cccc(Cl)c2)nc1C 9918701 ARHZOQIIOAIXMX-UHFFFAOYSA-N 384.867 3.818 0 40 GHAB Cc1nc(-c2cc(C)n(CC(=O)N[C@@H](C)c3c(C)nn(C)c3C)c2C)cs1 89575682 SAWUNJKAMFGZIQ-LBPRGKRZSA-N 385.537 3.765 0 40 GHAB O=C(Nc1cccc2c1CCCC2)c1ccc(-n2cc(Br)cn2)nn1 89800236 BWZSXSOHXLIWOJ-UHFFFAOYSA-N 398.264 3.556 0 40 GHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2CN(Cc3ccncc3)C[C@@H]21 306128574 HFDWTPMKFKDOPS-XLIONFOSSA-N 382.510 3.565 0 40 GHAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccc(Br)cc1 65720181 LMRJGFBHBBLMCR-CQSZACIVSA-N 378.266 3.720 0 40 GHAB CC1(C)C[C@@H](NC(=O)c2ccc(CN3CCCC3=O)cc2)c2ccccc2O1 121527942 HQHGNHFCGURLAV-LJQANCHMSA-N 378.472 3.841 0 40 GHAB C[C@H](NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)c1ccnc(O)c1 516732433 VZSUBHOYXYTQSR-LBPRGKRZSA-N 384.411 3.718 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)c(F)c1 39964154 BDVNBHJIDXVTIL-GOSISDBHSA-N 378.407 3.563 0 40 GHAB O=C(O)C[C@H](CC(=O)NCc1ccccc1)c1ccc(Br)cc1 35588003 JOQRKLHXGODAHS-HNNXBMFYSA-N 376.250 3.714 0 40 GHAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCC)cc2)SC1=S 35041440 NMCSLMCZSUMVJB-XDPMZMSMSA-N 379.503 3.930 0 40 GHAB CC(=O)N1CC[C@@H](c2c(C(=O)N(C)CC(F)(F)F)sc3ccccc23)C1 72352599 LDYMBMMVTDUKLQ-GFCCVEGCSA-N 384.423 3.871 0 40 GHAB COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3ccc(C)cc3)C2=O)cc1 33154780 RUYJAXRXQUDBNC-GZTJUZNOSA-N 382.441 3.888 0 40 GHAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCN(C/C=C/c2ccccc2)CC1 32095819 RRZLQDIPDMLXKN-KXOMFBTKSA-N 389.499 3.933 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 219364514 OZSLBBVJSTYNCT-OAHLLOKOSA-N 387.461 3.623 0 40 GHAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3nc(-c4cccs4)no3)cc2)C1 219240956 ZZPOFQMKZQSGLC-OAHLLOKOSA-N 396.516 3.960 0 40 GHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(SC)c2)C(=O)N1 72333351 WKZCIQGYZWLGGM-OXQOHEQNSA-N 384.457 3.965 0 40 GHAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(Cc1nc3ccccc3s1)CC2 564219285 UTKUVRRQSTTYHE-MRXNPFEDSA-N 398.484 3.888 0 40 GHAB O=C(c1cc(=O)c(OCc2ccccc2F)co1)N1CCc2ccccc2C1 40267382 PYYHSRKBIXNILH-UHFFFAOYSA-N 379.387 3.556 0 40 GHAB CCOc1ccccc1CCCNC(=O)CSc1ccc(OC)c(OC)c1 44902014 PCPZDTMSPNOTIH-UHFFFAOYSA-N 389.517 3.944 0 40 GHAB CCOc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1Cl 224586749 XGPOWKQCRRTSKJ-UHFFFAOYSA-N 388.895 3.501 0 40 GHAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 224033484 GMFBOTMLOYPDTN-PMACEKPBSA-N 392.484 3.809 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 225449479 UJHCXTVNQWKPLJ-UXHICEINSA-N 380.532 3.912 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1F 222439318 DQPMKIJNYAGMTK-MRXNPFEDSA-N 388.508 3.531 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220610984 WLNFJTZLMVZJCO-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 225215032 URJBXOBWYZSZGZ-GOSISDBHSA-N 384.545 3.949 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1c(Cl)cccc1Cl 225441132 UZCPPRSKTWORIH-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSc1ccc(C)cc1 224050952 WZDGRXAGAPBHRK-SFHVURJKSA-N 384.545 3.683 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223658867 JOAMJINSWYELDC-UHFFFAOYSA-N 389.473 3.768 0 40 GHAB C=CC(=O)Nc1cc2c(cc1C(=O)c1ccccc1Br)OCCO2 80340213 AUSZMGIKRKUFLW-UHFFFAOYSA-N 388.217 3.576 0 40 GHAB S=C(NCc1ccccc1Cl)Nc1nc(Cl)cc(N2CCCC2)n1 225938723 ZZPAIFJGIXMFHR-UHFFFAOYSA-N 382.320 3.870 0 40 GHAB O=C(c1cccc2[nH]ncc12)N1CCN(c2ccc(Cl)cc2Cl)CC1 1583967884 OEUMBCFDRPFQRT-UHFFFAOYSA-N 375.259 3.832 0 40 GHAB O=C(c1ccccn1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 96038187 KVHQZUQXCAYDSU-UHFFFAOYSA-N 383.455 3.811 0 40 GHAB COc1ccc(Cn2c(N)c(C(=O)NC3CCCCC3)sc2=S)cc1 94992838 NKYMWGYQGLRZAN-UHFFFAOYSA-N 377.535 3.981 0 40 GHAB Cc1cccnc1Nc1cccc(C2CCN(C(=O)c3ccc(N)nc3)CC2)n1 257256900 KNIPRQCROAFECT-UHFFFAOYSA-N 388.475 3.526 0 40 GHAB O=C(c1ccncn1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257286661 PMLGSWNOGJLITB-HNNXBMFYSA-N 382.851 3.729 0 40 GHAB C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(O)cc3c(c1O2)C(=N)NC3 252516343 SDIGNZADDDFEPI-AVWNJZFJSA-N 384.520 3.728 0 40 GHAB biogenic,in-vitro CN(C)c1ncccc1CN1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 257337502 YTAUAGXEDVVGSD-JOCHJYFZSA-N 392.478 3.922 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2C)[C@@H]1c1ccccc1OC 257236429 HCDSNYLKCDAEEK-KNQAVFIVSA-N 380.488 3.620 0 40 GHAB COc1ncc(Br)cc1CNC(=O)N[C@H](C)C1CCC(F)CC1 624381392 MWYPCUUBHYQUFB-CDWSIMAYSA-N 388.281 3.569 0 40 GHAB COc1cccc(OCC(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)c1 96119057 SIJNMJMPJOCZKL-CQSZACIVSA-N 399.472 3.592 0 40 GHAB O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@H]1CCn2cncc2C1 655253476 HAVCQITYDZLZBU-AWEZNQCLSA-N 393.409 3.582 0 40 GHAB CC(=O)N1C[C@H](COCC2CC2)C2(CCN(Cc3ccc(C)s3)CC2)C1 585103015 KXKUWWGNCDYQCC-LJQANCHMSA-N 376.566 3.544 0 40 GHAB C[C@@H](NC(=O)NCCNc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2 45402498 ZWKQVVFGVOCTJX-SNVBAGLBSA-N 397.262 3.589 0 40 GHAB CC(C)[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 58158155 JDFSQLACKUZNMD-IEBWSBKVSA-N 386.448 3.691 0 40 GHAB CN(C)C(=O)[C@@H]1CN(Cc2ccc(SC(F)F)cc2)c2ccccc2O1 58407022 CVPAVVSDRFEWOQ-KRWDZBQOSA-N 378.444 3.857 0 40 GHAB CCC(=O)N1CCN(CC)C(=O)[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1 72391020 OCXNIZIYTZQJFS-FQEVSTJZSA-N 382.479 3.752 0 40 GHAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1 5478580 AURSWUBVCSIMFG-UHFFFAOYSA-N 382.489 3.916 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 5509552 GCBZDOKZEHFLPC-QGZVFWFLSA-N 380.488 3.980 0 40 GHAB CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 5674484 MTVHACJAVZAPLB-GOSISDBHSA-N 386.517 3.597 0 40 GHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCN(C(=O)c2ccco2)CC1 11918049 DVBGTFXDZFYXIY-UHFFFAOYSA-N 396.443 3.812 0 40 GHAB COc1cc(CN(Cc2ccco2)Cc2cnc(C)n2C)cc(OC)c1OC 12147070 KVWUFUMWHFJSOZ-UHFFFAOYSA-N 385.464 3.550 0 40 GHAB COCCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 12419701 FPKOQYVMJJGNFZ-UHFFFAOYSA-N 398.893 3.948 0 40 GHAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1ccc(OC)cc1 13072573 VHDSMKIZGYYTAU-UHFFFAOYSA-N 393.443 3.808 0 40 GHAB C[C@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 13669090 FYDOFVLKIHCEDV-INIZCTEOSA-N 388.533 3.628 0 40 GHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCCC2)cc(=O)[nH]1 19240971 IALHGSZJZXGEHZ-IBGZPJMESA-N 378.476 3.540 0 40 GHAB CC[C@@H](c1nnnn1C1CCCC1)N1CCN(c2nc3ccccc3s2)CC1 19500604 VFBDQZKLHGCNFC-KRWDZBQOSA-N 397.552 3.671 0 40 GHAB C[C@H](NC(=O)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1)c1ccco1 105779631 ZSKUXAWCBNYSOL-KRWDZBQOSA-N 382.423 3.751 0 40 GHAB COCCN(C)CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1 1552928 IVKQYQMLUAZKPB-UHFFFAOYSA-N 391.471 3.633 0 40 GHAB Cc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc(C(=O)O)c1O 20151667 VJYJDUKBDPLKEF-UHFFFAOYSA-N 386.473 3.823 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2Cl)c(OC)c1 1993689 HCFQHBFDZTZWFC-CSKARUKUSA-N 375.808 3.552 0 40 GHAB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(C(C)=O)ccc2OC)C1=O 9549058 XGHAZPFPSFUKGJ-QFIPXVFZSA-N 380.444 3.645 0 40 GHAB Cc1cc(Cl)cc(C)c1OCC(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 7088618 WECSQQKACKEUOY-HXUWFJFHSA-N 387.863 3.899 0 40 GHAB CCc1ncnc(OCC2CCN(c3nc(C(F)(F)F)cs3)CC2)c1F 1888875806 ZOUBUYOJSUNCNA-UHFFFAOYSA-N 390.406 3.949 0 40 GHAB O=C(c1cc(-c2cccnc2)on1)N1CCC(c2ccc3cccnc3n2)CC1 1889022019 LTEKVNSLACAVNQ-UHFFFAOYSA-N 385.427 3.700 0 40 GHAB Cc1nc(C)c(CN2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)s1 2087128255 RRTYLIGWUMJXCH-DZGCQCFKSA-N 382.455 3.884 0 40 GHAB CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(C)s2)NC(=O)N1C 2474628 VFUGFEMZQGPDFP-SFHVURJKSA-N 386.473 3.649 0 40 GHAB O=C(NCCOc1ccccc1Cc1ccccc1)c1ccc2c(c1)OCO2 3627237 BXPYCQNXQSTPLD-UHFFFAOYSA-N 375.424 3.815 0 40 GHAB biogenic CNC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CC[C@@H](C)C2 5055574 CXJGQKJFWZMHNF-LLVKDONJSA-N 396.468 3.591 0 40 GHAB CS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3cccc4ccccc34)cc21 5136768 WSHMOHCHLAWKTR-UHFFFAOYSA-N 394.496 3.733 0 40 GHAB CCc1ccc(N2C(=O)N(c3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 6168780 SOQSIENAPBFTEU-MSOLQXFVSA-N 390.892 3.515 0 40 GHAB CC(C)C(=O)N1CCc2ccc(NC(=O)c3ccc(Br)o3)cc2C1 9035973 OSFLGFRVAVXLLE-UHFFFAOYSA-N 391.265 3.835 0 40 GHAB O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)[C@H]1CCCO1 15107396 DPXPUVMIELMDMR-HXUWFJFHSA-N 376.460 3.564 0 40 GHAB COc1ccc(C(=O)OCc2cc(-c3ccc(F)cc3F)on2)cc1OC 16959683 MJNOIWDRTSRSPD-UHFFFAOYSA-N 375.327 3.994 0 40 GHAB Nc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1cccc(C(F)(F)F)c1 20530567 GOHBTIIBFOBMSQ-UHFFFAOYSA-N 390.300 3.724 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC(c3ccsc3)CC1)C(=O)C2 101323910 PGNLKIFMKWGDPI-QFBILLFUSA-N 381.563 3.653 0 40 GHAB CN(C)[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1cccn1C 38674728 MCSKZPAIQGXWGA-IBGZPJMESA-N 375.472 3.682 0 40 GHAB CCSc1ccccc1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C 38695301 URHNGHZSSYAPPY-UHFFFAOYSA-N 390.530 3.899 0 40 GHAB CCOC(=O)[C@@H](CC)Sc1ccc2nnc(-c3ccc(Cl)cc3)n2n1 4164331 FFZNPCLREKLQHG-CYBMUJFWSA-N 376.869 3.879 0 40 GHAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O[C@@H]2CCOC2=O)cc1 12700837 FTADGZUUIHZQPW-LJQANCHMSA-N 379.412 3.635 0 40 GHAB Cc1cccc(CCC(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)c1 40089591 FKRXLIPJNSPTRZ-UHFFFAOYSA-N 393.575 3.955 0 40 GHAB Fc1cccc(Oc2ncccc2CNCc2cnc(N3CCCC3)nc2)c1 40153243 BPGLXRNUUJXIQT-UHFFFAOYSA-N 379.439 3.693 0 40 GHAB CC[C@@H]1CCCN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)C1 31682299 CYTVZIUNOHXTJN-QGZVFWFLSA-N 375.472 3.956 0 40 GHAB NC(=O)c1nc[nH]c1/N=c1\scc(-c2ccc(Cl)cc2)n1-c1ccccc1 101386867 PHUIZOJSGNCWND-CLCOLTQESA-N 395.875 3.914 0 40 GHAB CN1C(=O)CC[C@H](C(=O)Nc2cccc(Br)c2)[C@@H]1c1ccccc1 20720494 IOPDKNLCEGXIIX-WMZOPIPTSA-N 387.277 3.997 0 40 GHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)c(OC)c1 20727825 MYHKCKGAMSSKHN-LBPRGKRZSA-N 399.834 3.928 0 40 GHAB Cc1cccc(C(=O)N2CCCC2)c1NS(=O)(=O)c1ccc(Cl)cc1F 32833526 GCWYURJKHLRQSZ-UHFFFAOYSA-N 396.871 3.824 0 40 GHAB CCc1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 102549179 HNJBLFWFGQOJOJ-SNHGZMDHSA-N 387.435 3.780 0 40 GHAB CC(C)(C)C(=O)NCCCC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 78557357 KPMCDKPHNOFFIR-UHFFFAOYSA-N 396.487 3.925 0 40 GHAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1Cl 78938548 UTEBTXKSBWQVNG-UHFFFAOYSA-N 392.820 3.858 0 40 GHAB Cc1cccc(C2=N/C(=C\c3ccc(I)o3)C(=O)O2)c1 4714060 IUSAIAFDYVFZKA-WQLSENKSSA-N 379.153 3.537 0 40 GHAB CCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCC[C@@H]1C 6947971 AKRFVYWNFYORME-KRWDZBQOSA-N 386.565 3.966 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2CC)cc1 7939817 IZBSOJFGGRMZKR-UHFFFAOYSA-N 398.459 3.548 0 40 GHAB C[C@H](NC(=O)c1c(Br)c(C(F)(F)F)nn1C)[C@H]1C[C@@H]2CC[C@@H]1C2 101988337 KHLWMNDVTGHUOK-SGIHWFKDSA-N 394.235 3.756 0 40 GHAB CCOc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(C)C 8132961 SHRBWEQQVMSSHZ-UHFFFAOYSA-N 391.489 3.724 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1C 8336413 WLDPKRPJOZGHFQ-UHFFFAOYSA-N 385.938 3.869 0 40 GHAB C[C@H](NC(=O)[C@H](C)N1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 37458326 JVTITTFEAPWZAA-LNLFQRSKSA-N 397.494 3.742 0 40 GHAB CC(=O)Nc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 811337 QVGGQMMZGKKAQX-ZHZULCJRSA-N 389.411 3.648 0 40 GHAB O=C(NCc1cc(F)ccc1F)c1cccc(N2C(=O)c3ccccc3C2=O)c1 104559073 NXANLQYZAAVFQH-UHFFFAOYSA-N 392.361 3.695 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101581952 HJFGYKFSCCKELB-XBXGTLAGSA-N 376.453 3.878 0 40 GHAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)c1 20595681 LIDJCPXWTRAGCR-UHFFFAOYSA-N 392.864 3.954 0 40 GHAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1 25668929 GXKBPXGTLYWCNR-UHFFFAOYSA-N 399.410 3.591 0 40 GHAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccncc2)c1 12533276 NIHFLHPGQKRMJY-UHFFFAOYSA-N 384.439 3.873 0 40 GHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccccc3Cl)cc2C[C@H]1C 20449028 XNPQNVNBBYHWBT-GFCCVEGCSA-N 378.881 3.693 0 40 GHAB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)n1CC(F)(F)F 27150369 LJANDXMVDBZKNN-LLVKDONJSA-N 381.354 3.639 0 40 GHAB COc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)cc1Cl 3239077 GXURPARZLLQZLT-UHFFFAOYSA-N 398.242 3.871 0 40 GHAB CSc1ccc(-c2noc(CN3CCN(c4ccccc4F)CC3)n2)cc1 57427657 PJCNYTLJEWBTQS-UHFFFAOYSA-N 384.480 3.920 0 40 GHAB CC(C)[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 58017741 NAAILAPHVKCXCD-BEFAXECRSA-N 394.899 3.626 0 40 GHAB Fc1cccc(COc2ccc(CNc3nnnn3-c3ccccc3)cc2)c1 58109764 SBBXLCOSOFJFNV-UHFFFAOYSA-N 375.407 3.993 0 40 GHAB O=c1sc2c(n1CN1CCN(Cc3cccc4ccccc34)CC1)CCCC2 58182525 HWHRSCIMVYFZRB-UHFFFAOYSA-N 393.556 3.717 0 40 GHAB Cc1ccc(-c2csc3ncnc(N4CCN(CC(C)(C)O)CC4)c23)cc1 58267594 NPBPTXLKDXENFH-UHFFFAOYSA-N 382.533 3.560 0 40 GHAB CCCCO[C@H]1C[C@@H](N(C)C(=O)c2sc(-c3cnn(C)c3)nc2C)C1(C)C 72310272 FXSBTWBHIZKQEX-CVEARBPZSA-N 390.553 3.908 0 40 GHAB C[C@H]1CCCN(Cc2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2)C1 48227483 XTNICRRQDWBUKH-KRWDZBQOSA-N 392.565 3.605 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48275337 MXVAXUNPZPEYTE-CQSZACIVSA-N 379.888 3.523 0 40 GHAB O=C(O)c1ccccc1S[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 3308023 ISKZGTXVDQEWJU-FUHWJXTLSA-N 391.514 3.767 0 40 GHAB CCn1c(SCC(=O)NCc2ccccc2Cl)nc2ccsc2c1=O 27818571 MIHTVYKMCSKFEX-UHFFFAOYSA-N 393.921 3.540 0 40 GHAB O=C(NCC(F)(F)F)c1ccccc1NCc1nc(-c2cccs2)no1 25899609 RYYUWTLHGYRODZ-UHFFFAOYSA-N 382.367 3.702 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1cccs1 10777216 RBQUDAJJHOZAJC-QGZVFWFLSA-N 382.489 3.757 0 40 GHAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2N)cc1 2389375 KAIQLMRYLBDQOT-UHFFFAOYSA-N 399.495 3.871 0 40 GHAB COc1ccc(CN2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cc1 306130247 IZYVSAWKRKLLCE-NRFANRHFSA-N 381.501 3.795 0 40 GHAB C[C@@H](NCc1ccccc1CN1CCCCC1)C(=O)Nc1ccc2c(c1)OCO2 12750372 UEHPGFHPDGWLBZ-QGZVFWFLSA-N 395.503 3.518 0 40 GHAB Cc1ccc(-c2nc(C(=O)Nc3cc(S(C)(=O)=O)ccc3F)cs2)cc1 12753218 QQGCRFRFYMTYOY-UHFFFAOYSA-N 390.461 3.913 0 40 GHAB CCc1ccc2nc(NC(=O)CN3C(=O)CSc4ccccc43)sc2c1 28837543 MGJMBIYKEQUDJQ-UHFFFAOYSA-N 383.498 3.936 0 40 GHAB Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)c1 45637914 OAEQXCWMBFVFJH-CYBMUJFWSA-N 381.881 3.766 0 40 GHAB C[C@H]1c2cccn2CCN1C[C@@H](O)COc1ccc(C(=O)c2ccccc2)cc1 12777665 QXCAXSSGNYCGMS-GHTZIAJQSA-N 390.483 3.536 0 40 GHAB COC(=O)c1sccc1NC(=O)CN(Cc1c(F)cccc1Cl)C1CC1 29117644 QPRCJFYSJMDWIQ-UHFFFAOYSA-N 396.871 3.930 0 40 GHAB COc1cc(CNC(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC 12847140 DLUXTDFUZADBKH-UHFFFAOYSA-N 381.428 3.804 0 40 GHAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Cl 3436624 JTGUYAUBZDVKDD-QHHAFSJGSA-N 394.210 3.917 0 40 GHAB O=C(CCNC(=O)c1cccs1)NCc1ccccc1COc1ccccc1 12921634 RMBKSVIBFWIQJX-UHFFFAOYSA-N 394.496 3.763 0 40 GHAB CN(Cn1nc(N2CCOCC2)n(C2CC2)c1=S)[C@@H]1CCCc2ccccc21 12922052 MDNNUXDXJGUNMA-LJQANCHMSA-N 399.564 3.552 0 40 GHAB C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)sc2C1 12914798 DZPMGWHLQMBUBD-QWHCGFSZSA-N 389.546 3.820 0 40 GHAB Cc1c(O)ccc2c(CN(C)CC(=O)Nc3ccc(Cl)cc3)cc(=O)oc12 13038991 SRLYPNVIIXZQHB-UHFFFAOYSA-N 386.835 3.531 0 40 GHAB Cc1cccc(-n2cc(C(=O)OCC(=O)OC(C)(C)C)c3ccccc3c2=O)c1 48985703 OLBHJNVJYSUKSE-UHFFFAOYSA-N 393.439 3.798 0 40 GHAB COc1ccc(-[n+]2cc(-c3ccc4c(c3)OCCO4)n3c2CCCCC3)cc1 27788737 BRPFIIDFEPIFFR-UHFFFAOYSA-N 377.464 3.938 0 40 GHAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N1CCCCC1 8654691 JEVIIVDYXRSHMD-UHFFFAOYSA-N 398.528 3.998 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2NC(Nc3ccc(Cl)cc3Cl)=NC2=O)cc1 13692801 RTFOYYCPJHAHHS-HNNXBMFYSA-N 391.258 3.597 0 40 GHAB CCCc1nc2ccccc2c(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c1CC 18167335 SKSQQPKOYWBOJL-IYBDPMFKSA-N 398.503 3.542 0 40 GHAB COc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)cc2)cc1 4512316 WYPWQSBEZYAKAI-ZGPIAVDESA-N 379.412 3.624 0 40 GHAB O=S(=O)(c1ccc2c(c1)OCCCO2)N(Cc1ccccc1)CC1CCC1 66001826 NFZRHUOGEKMSMD-UHFFFAOYSA-N 387.501 3.839 0 40 GHAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2c(F)cccc2Cl)cc1 5559945 YDOMIUDBVFXRJX-QGZVFWFLSA-N 389.814 3.754 0 40 GHAB O=C(OCc1cc(=O)n2ccccc2n1)c1cccc(OCc2ccccc2)c1 14762033 GDRGDNQBBLGJIZ-UHFFFAOYSA-N 386.407 3.631 0 40 GHAB CCc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)cc1 6752808 MPKUNVNKCKIXIU-OAQYLSRUSA-N 377.444 3.536 0 40 GHAB COCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@H]1c1ccc(Cl)cc1 4816552 ZMDJJGUKRXUIOB-RBUKOAKNSA-N 396.878 3.954 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2ccccc2N2CCOCC2)c1 15039115 LISVAGMIOJOCHH-IBGZPJMESA-N 381.520 3.599 0 40 GHAB CCN(Cc1cc2cc(C)ccc2[nH]c1=O)S(=O)(=O)c1ccc(Cl)cc1 9187385 YXQPDEISUOVYGM-UHFFFAOYSA-N 390.892 3.701 0 40 GHAB CCOc1ccccc1C(=O)NCCCC(=O)N[C@H]1CCCc2ccccc21 7435418 GKNSKKGOGVWFSX-FQEVSTJZSA-N 380.488 3.789 0 40 GHAB COc1ccc(CN(C)Cn2nc(-c3cccs3)[nH]c2=S)cc1OC 16353190 RHRGUTLXXMBRBB-UHFFFAOYSA-N 376.507 3.776 0 40 GHAB Cn1ccnc1[C@H](NC(=O)COc1ccc2c(c1)CCC2)c1ccc(Cl)cc1 8118106 MARGXWRUZBADCS-OAQYLSRUSA-N 395.890 3.847 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2nc3nc(C)cc(C)n3n2)cc1 9549745 PZOBGIIGRYPTRG-SFHVURJKSA-N 379.464 3.507 0 40 GHAB O=C(Nc1cncc(Br)c1Br)c1ccc(Cl)nc1 95457303 FNZVMWKMBPPDEX-UHFFFAOYSA-N 391.450 3.907 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1NCCc1ccccc1F 95941088 LEIPKDFYKZFDKJ-YSIASYRMSA-N 392.515 3.762 0 40 GHAB Cc1ccc([C@@H](O)CNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1 89629822 JSCSDUCLLOLVCD-KRWDZBQOSA-N 395.480 3.958 0 40 GHAB O=S(=O)(NCCc1ccc(Cl)cc1)c1ccccc1OC(F)(F)F 24259570 CRRUUBKZYCAAMN-UHFFFAOYSA-N 379.787 3.760 0 40 GHAB O=C(CN1CCCCCC1=O)OCc1csc(-c2ccccc2Cl)n1 21281916 KCNQZGIEMMVPPP-UHFFFAOYSA-N 378.881 3.909 0 40 GHAB Cc1cccc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 306143592 YGLGBNVGXBAQHY-HXUWFJFHSA-N 384.487 3.874 0 40 GHAB CCOc1ccc(-n2ccnc(SCC(=O)c3ccc(F)cc3)c2=O)cc1 4853183 QXPPYIOQWWKJEA-UHFFFAOYSA-N 384.432 3.745 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)COc2coc(C)cc2=O)c2ccccc12 524734204 HUQCVXDSUDAJGL-LJQANCHMSA-N 393.439 3.853 0 40 GHAB O=C(NC1CCCCC1)c1cc([C@H]2CCCN(CCOc3ccccc3)C2)no1 72351297 NNDAXXMGKOVQKN-SFHVURJKSA-N 397.519 3.996 0 40 GHAB C[C@@H]1CCc2onc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)c2C1 72396294 YZFDQOZLZNIYKS-BEFAXECRSA-N 390.487 3.852 0 40 GHAB O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3cccc(O)c3)C2)no1 72352775 ORNIUOBAUFAJBQ-QGZVFWFLSA-N 383.492 3.822 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc(F)cc1Cl 32860134 MINAQUFERYHFQD-ZDUSSCGKSA-N 389.858 3.675 0 40 GHAB Cn1ccnc1[C@@H]1C[C@@H](NC(=O)Nc2ccc3c4c(cccc24)CC3)CCO1 562589447 VHCULAFDOVQBOL-LPHOPBHVSA-N 376.460 3.714 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2C)cc1 224207194 SQWJPWOGEHZQSM-UHFFFAOYSA-N 398.484 3.652 0 40 GHAB COc1ccc2cc(S(=O)(=O)NCCCOC3CCCCC3)ccc2c1 225124493 UZDMRCSULAKBHD-UHFFFAOYSA-N 377.506 3.866 0 40 GHAB O=C(Nc1cc(-c2cccs2)nn1CCO)c1ccccc1C(F)(F)F 42384556 HZNVCQULWWLFDH-UHFFFAOYSA-N 381.379 3.875 0 40 GHAB CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224892569 ZVIHCZVVSOBMRQ-UHFFFAOYSA-N 386.395 3.879 0 40 GHAB CCc1nc(CNC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Cl)cs1 227153010 VQMLYPWAHOISIX-GFCCVEGCSA-N 390.896 3.628 0 40 GHAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc21 224967782 AUVVVMQVOWZOJG-UHFFFAOYSA-N 392.480 3.940 0 40 GHAB Cc1ccccc1OCCNC(=O)COc1cc(C)c(Br)c(C)c1 224243789 JESAPKWOTQQNNM-UHFFFAOYSA-N 392.293 3.948 0 40 GHAB C[C@@H](N[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1cc2cccc(F)c2o1 574708491 PJIDDFREROYZRE-KZULUSFZSA-N 388.464 3.948 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C 223683014 TYNHNLWPOREISU-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl 222633587 ANRWGFABFIJEFV-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220495071 HCFADCOSIWSNGX-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB O=S(=O)(NCCN1CCC(c2cccs2)CC1)c1ccccc1Cl 77104152 RZXUNEZOFWFOEO-UHFFFAOYSA-N 384.954 3.559 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(-n2ccnc2C)cc1 44901156 NNQXUSLVGKWOAQ-NRFANRHFSA-N 379.460 3.663 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 224910613 LKSZVCYIHCVZNL-JOCHJYFZSA-N 396.531 3.817 0 40 GHAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1N1CCCC1=O 223212181 WHIYSUMVOCKBHG-MRXNPFEDSA-N 398.528 3.650 0 40 GHAB Clc1cccc(CN2CC[C@@]3(COCc4cnc(NCC5CC5)nc43)C2)c1 96244101 HTPFAWCGKSGPCY-NRFANRHFSA-N 384.911 3.626 0 40 GHAB F[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1OCc1nc2ccncc2[nH]1 96112125 OHGQEOSNNOUSCD-PBHICJAKSA-N 394.372 3.716 0 40 GHAB biogenic,in-vitro Cc1ccc2nc(CO[C@H]3CN(Cc4ccc(F)c(F)c4)C[C@H]3F)[nH]c2c1 96112305 JSCTVRJHNLISIJ-APWZRJJASA-N 375.394 3.889 0 40 GHAB biogenic,in-vitro Cc1c(Cl)cccc1N1C[C@H](C(=O)NCc2ccc(Cl)cc2)CC1=O 243334287 LQRXFBLADZRCCJ-CQSZACIVSA-N 377.271 3.971 0 40 GHAB O=C(O)CN(Cc1ccccc1)C(=O)COc1ccccc1Oc1ccccc1 257206642 BEJCDWBOEONBBM-UHFFFAOYSA-N 391.423 3.971 0 40 GHAB COc1ccc(-c2n[nH]c(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2C)c(OC)c1 253599492 LUAUPIPRNGRNBV-XSWJXKHESA-N 383.492 3.957 0 40 GHAB C[C@@H]1CN(C(=O)NCc2cccc(COC[C@H]3CCCO3)c2)C[C@@H](C)C1(F)F 624394269 ZLXVQCBLBDQLKH-GPMSIDNRSA-N 396.478 3.815 0 40 GHAB CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2nc(C3CC3)no2)CC1 600866016 HQRHRIMWKBXZCK-GOSISDBHSA-N 397.475 3.536 0 40 GHAB CO[C@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2cc(Cl)ccc2N(C)C)C1 626392748 ZZBQQPHCBYYTNW-ZYSHUDEJSA-N 394.947 3.512 0 40 GHAB CCOc1ccccc1Oc1ccc(CNC(=O)Nc2cnn(CCF)c2)cn1 626799116 VVUPUCSIPMSVBO-UHFFFAOYSA-N 399.426 3.760 0 40 GHAB C[C@H](c1ccccc1)n1ccc(NC(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)n1 682101990 WFBOKNMSXJKXDE-CRAIPNDOSA-N 389.459 3.740 0 40 GHAB COc1cc(N[C@@H](C)C(=O)Nc2cccc3ncccc23)ccc1NC(C)=O 56162355 ZZQDIHQFJSLICU-ZDUSSCGKSA-N 378.432 3.641 0 40 GHAB CC(F)(F)C(=O)N[C@@H]1[C@@H]2CCCN(c3nc4c(F)cccc4o3)[C@@H]2C1(C)C 585137762 RYNKGQWOUZCPOO-VQISRLSMSA-N 381.398 3.732 0 40 GHAB CCc1nnsc1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615129817 WWKJJGDWBKMJEA-HXUWFJFHSA-N 388.512 3.903 0 40 GHAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)Nn1ccccc1=O 1654450881 IESHFHDMWGBNQF-UHFFFAOYSA-N 393.393 3.978 0 40 GHAB CCOc1ccc([C@@H](CC(=O)O)NC(=O)c2cccc(Br)c2)cc1 5512056 QUYJEURCEYPTSI-MRXNPFEDSA-N 392.249 3.794 0 40 GHAB CC(C)c1ccc(C(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc1 12651716 LAEZFPHBJRKEEI-UHFFFAOYSA-N 377.473 3.906 0 40 GHAB CCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccccc32)c2cc(Br)ccc21 13635271 UTZHIPKZFXZBJW-HXUWFJFHSA-N 396.288 3.686 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O 13711404 OSTVIHPKLOYLEZ-INIZCTEOSA-N 384.860 3.662 0 40 GHAB C[C@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@@H](C)O1 13809607 KTBJNTKZXKSNPM-HDICACEKSA-N 375.472 3.848 0 40 GHAB CN(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1 14429170 ILIZZQJPKWTIJR-UHFFFAOYSA-N 388.876 3.752 0 40 GHAB Cc1ccnn1[C@@H](C)C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C 19238275 GLXPYCVOSLIJCJ-MVWVFHAYSA-N 398.526 3.761 0 40 GHAB Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)Cc2ccccc2F)n1 19290066 IXOZHSBTCYGJKN-HXUWFJFHSA-N 378.451 3.918 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](N1C[C@@H](C)O[C@H](C)C1)C(Cl)(Cl)Cl 19315742 ZTMJPTGKJORMEG-JMSVASOKSA-N 379.715 3.530 0 40 GHAB Cc1cc2ncn(CCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c2cc1C 19655326 OGMVWVUMCXECIQ-MRXNPFEDSA-N 379.460 3.692 0 40 GHAB Cc1nc([C@H]2CCCCN2C(C)C)nc2c1CCC(=O)N2Cc1ccccn1 19695828 UQRXRRQHXFLENV-LJQANCHMSA-N 379.508 3.595 0 40 GHAB Cc1cc(C)nc(N2CCC(CC(=O)N(C)C[C@H](C)c3ccccc3)CC2)n1 19748795 OOMBPVZLUOBTAH-KRWDZBQOSA-N 380.536 3.962 0 40 GHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1 8166582 GTQTWOAGCMXICW-MHWRWJLKSA-N 386.404 3.509 0 40 GHAB O=C(c1cc2ccccc2nc1O)N1CCCN(c2ccccc2Cl)CC1 518411511 FSDQAEYIXHOCMT-UHFFFAOYSA-N 381.863 3.946 0 40 GHAB CC(C)c1ccc(CN2CCC(c3cc(C(=O)N4CCOCC4)on3)CC2)cc1 19453186 PCHFDQFRUREIAM-UHFFFAOYSA-N 397.519 3.650 0 40 GHAB COc1cc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc(OC)c1 7062849 ZGGBKASUKVIGQM-PXNMLYILSA-N 388.217 3.811 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 4251164 VOKHDENQNNPJKL-UHFFFAOYSA-N 391.452 3.886 0 40 GHAB Cc1cccc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)c1 4326582 VTNGCNJRPCONGS-UHFFFAOYSA-N 381.486 3.892 0 40 GHAB Cc1ccc2nc(NC(=O)CSc3nnc(-c4ccncc4)o3)sc2c1 4941535 LCTVANJRPIOVPF-UHFFFAOYSA-N 383.458 3.781 0 40 GHAB Cc1ccc(-n2nnc3c(=O)n(Cc4cccc(Cl)c4)cnc32)cc1Cl 5057406 VYRXGIFEJBRPIP-UHFFFAOYSA-N 386.242 3.641 0 40 GHAB Cc1ccc2nc(N(CCN(C)C)C(=O)c3ccc4c(c3)OCCO4)sc2c1 5115010 ZOILHJSNEPAHBP-UHFFFAOYSA-N 397.500 3.584 0 40 GHAB Cc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)n2nnnc2N3)c1 10336864 YZYBBNLLDYIWLR-VXKWHMMOSA-N 394.438 3.936 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1 11612910 SEYNQCLGIUAABA-GOSISDBHSA-N 396.528 3.598 0 40 GHAB NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 12442885 DCPXPYAXSKJFOA-UHFFFAOYSA-N 375.500 3.701 0 40 GHAB O=C1C[C@@H](N2CCC(CCc3ccc(F)cc3)CC2)C(=O)N1Cc1ccccc1 15080856 USCPGRLDEUWYLL-JOCHJYFZSA-N 394.490 3.798 0 40 GHAB Cn1nc(-c2ccccn2)cc1CNC(=O)Nc1cccc(C(F)(F)F)c1 1775966688 UDCXSLUTHUHJCY-UHFFFAOYSA-N 375.354 3.823 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775970081 AIBGXHPPWJHWSN-UHFFFAOYSA-N 385.464 3.607 0 40 GHAB O=C(Cc1csc(NC(=O)C2CCCC2)n1)Nc1cc2ccccc2oc1=O 38575659 SOZBZQOBWUUJRN-UHFFFAOYSA-N 397.456 3.559 0 40 GHAB CC[C@H](C(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1)c1ccccc1 44001948 GVMPWNADAINFBB-ZJVMWOEPSA-N 380.488 3.841 0 40 GHAB COc1ccccc1NC(=O)N1CCc2c(c(=O)c3cc(C)cc(C)c3n2C)C1 49008095 OKPRFUZIYALWMI-UHFFFAOYSA-N 391.471 3.754 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)NC[C@@H](O)c3csc4ccccc34)c2O1 225693854 ZFLWQLPFIMARIL-QGZVFWFLSA-N 397.496 3.843 0 40 GHAB Cn1ccc2cc(NC(=O)[C@@H](NC(=O)c3cccnc3)c3ccccc3)ccc21 96116689 QNMXMFHGDZVKOT-NRFANRHFSA-N 384.439 3.683 0 40 GHAB CC1(C)NC(=O)N(CCCSc2nc(-c3ccco3)nc3ccccc23)C1=O 40089698 PTMABKQJCBKOGP-UHFFFAOYSA-N 396.472 3.702 0 40 GHAB O=C(CSc1ccc(Br)cc1)NC(=O)NCCc1cccs1 20033987 STPZBCQYEWWFEQ-UHFFFAOYSA-N 399.335 3.671 0 40 GHAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O 40478513 HWPQBXDYPVHPMA-UHFFFAOYSA-N 399.878 3.564 0 40 GHAB O=S(=O)(NCc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)cc1 32811098 KVEXHEVPWKNACE-UHFFFAOYSA-N 378.925 3.804 0 40 GHAB CN1C(=O)[C@@H](Cc2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc21 101402517 NBKNXYHLQGKMFX-FQEVSTJZSA-N 395.462 3.748 0 40 GHAB COc1ccc(S(=O)(=O)N(C)C2CCC(C)CC2)cc1Br 37108728 XISMUEPDVSJKEQ-UHFFFAOYSA-N 376.316 3.657 0 40 GHAB C[C@H](NC(=O)c1c(Br)c(C(F)(F)F)nn1C)[C@H]1C[C@H]2CC[C@H]1C2 102626546 KHLWMNDVTGHUOK-AATLWQCWSA-N 394.235 3.756 0 40 GHAB Cc1ccc(C(=O)Oc2ccc3cc(C(=O)NC(C)C)c(=O)oc3c2)cc1C 941586 PKHCPASMDPJLLH-UHFFFAOYSA-N 379.412 3.767 0 40 GHAB Cc1csc(NC(=O)c2ccc(S(=O)(=O)NCC3CCCCC3)cc2)n1 1368358 HMMNLVVJRZOBOO-UHFFFAOYSA-N 393.534 3.562 0 40 GHAB O=C(OCc1cccc(COC(=O)c2ccc(O)cc2)c1)c1ccc(O)cc1 3334676 XSSUMFWOZHLSLM-UHFFFAOYSA-N 378.380 3.812 0 40 GHAB CCc1nnc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)s1 4217429 PJJDMQNACGQOGX-UHFFFAOYSA-N 379.536 3.761 0 40 GHAB COCc1ccc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1 97102762 BGOXGIABPXYPNX-ZWKOTPCHSA-N 380.271 3.870 0 40 GHAB COC[C@H](C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 2799883 HCQAIHCFWLPMPS-RYUDHWBXSA-N 399.438 3.794 0 40 GHAB COCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccoc1C 4860405 LAGBOSGHNCTWRM-UHFFFAOYSA-N 386.477 3.532 0 40 GHAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc2c(c1)OCO2 6226455 LWVHMCINBAPUPN-UHFFFAOYSA-N 391.861 3.805 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 6352269 NFNLKPMNBBPGGA-GFCCVEGCSA-N 396.896 3.678 0 40 GHAB CC(C)c1noc2ncc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)cc12 22279588 GOCPYNDVLVWHEP-OAHLLOKOSA-N 392.459 3.837 0 40 GHAB CCCC1(CCC)NC(=O)N(CC(=O)c2ccc(Br)s2)C1=O 8184082 UCOIOJBPUCOFDK-UHFFFAOYSA-N 387.299 3.584 0 40 GHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)c1 8414107 PWWUMDNCXCIKNJ-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2c(C)cccc2C)cc1C 8414203 SXPBBQAKLJPYDX-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB O=C(O)CCC(=O)Nc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 8434644 YSORCKBPPNSDPY-UHFFFAOYSA-N 380.322 3.761 0 40 GHAB CCNC(=O)c1cccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)c1 53461782 JCCVVNNLDXDFCF-UHFFFAOYSA-N 382.851 3.587 0 40 GHAB O[C@H](COCc1ccccc1)CN1CCN(Cc2csc3ccccc23)CC1 22932016 NTGAZQKHAKIKRJ-NRFANRHFSA-N 396.556 3.597 0 40 GHAB CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1C 862350 OAIOBHZFJIUGBR-LJQANCHMSA-N 386.448 3.651 0 40 GHAB COc1cc(C=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C 9232098 WKEJPYAYYUJVSG-UHFFFAOYSA-N 392.249 3.905 0 40 GHAB O=C(Nc1ccccc1)NC1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 55411091 WBZLKTRDITWMNF-UHFFFAOYSA-N 390.487 3.913 0 40 GHAB CCN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccc(OC)c(OC)c1 25358413 GHKRWANOJUFVNT-UHFFFAOYSA-N 397.924 3.653 0 40 GHAB COC(=O)c1c(NC(=O)CN[C@H](C)c2ccc(F)cc2F)sc2c1CCC2 57315200 AOVQUGFFPXRROJ-SNVBAGLBSA-N 394.443 3.591 0 40 GHAB CN(CC(=O)c1c(-c2ccccc2)n(C)c2ccccc12)CC(=O)N1CCCC1 57312439 MASAGSHVSDJWCA-UHFFFAOYSA-N 389.499 3.582 0 40 GHAB CCCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1 57487377 RTPZIHSOBZOZAJ-UHFFFAOYSA-N 387.530 3.764 0 40 GHAB Fc1ccc(OCc2ccc(-c3nc4c5cn[nH]c5ncn4n3)o2)c(Cl)c1 17078613 ZKRFTHLFNUVEKH-UHFFFAOYSA-N 384.758 3.632 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 22363022 VCFOSMCDRBUVQQ-UHFFFAOYSA-N 382.504 3.834 0 40 GHAB Cc1cc(OC(=O)CCCNC(=O)OC(C)(C)C)c2c(C)cc(=O)oc2c1 2092572 JJJYXWNECIYJTQ-UHFFFAOYSA-N 375.421 3.620 0 40 GHAB biogenic COc1cccc(NC(=O)CN(C)C(=O)c2sc3nc(C)cc(C)c3c2C)c1 10135566 VXHUNWFNVZPARW-UHFFFAOYSA-N 397.500 3.941 0 40 GHAB Cc1ccc(-c2nc(COC(=O)c3csc(-c4ccccn4)n3)no2)cc1 58158947 UTRICQLAHBPUOV-UHFFFAOYSA-N 378.413 3.921 0 40 GHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cnc2ccccc2c1 25156728 NHUPDIQONWTEHT-UHFFFAOYSA-N 389.436 3.535 0 40 GHAB COc1ccc2nc(NC(=O)c3csc(NC[C@@H]4CCCO4)n3)sc2c1 44892991 CPFJJPRAXHQYLJ-NSHDSACASA-N 390.490 3.605 0 40 GHAB CNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 10157211 DNIWILKRLPKHJA-CQSZACIVSA-N 381.867 3.887 0 40 GHAB Cc1ccc(NC(=O)N[C@@H](CN(C)C2CCN(C)CC2)c2ccccc2)cc1 58244364 GYXYNDOEWDIQHA-QFIPXVFZSA-N 380.536 3.884 0 40 GHAB CCSc1ncc(Br)c(C(=O)Nc2ccc(NC(C)=O)cc2)n1 27743101 OTXNYESBFHYGHE-UHFFFAOYSA-N 395.282 3.562 0 40 GHAB COc1ccc(C)cc1NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 58367645 WPBCYKXFUAUHTQ-AWEZNQCLSA-N 398.381 3.584 0 40 GHAB CCCn1c(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)nc2ccccc21 10652629 HGXKDABSDNGXCZ-NRFANRHFSA-N 392.503 3.768 0 40 GHAB COc1ccc(-c2cc3ncn(C[C@H](O)c4ccccc4)c(=O)c3s2)cc1 25308095 WFHXMPXHPSMQES-SFHVURJKSA-N 378.453 3.867 0 40 GHAB O=C1O[C@H](C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)Cc2ccccc21 10986272 CVRSDNQCUOEVOD-KRWDZBQOSA-N 393.468 3.617 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1C 12772413 XIXNYMLXDHIEDG-TZIWHRDSSA-N 393.531 3.831 0 40 GHAB COc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)NC(N)=O)nc2c1 3469707 RWNXKHFTSRLUGU-GFCCVEGCSA-N 381.457 3.586 0 40 GHAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NC[C@@H]1CCCO1 3456707 HHTKQHWBOUXLMV-INIZCTEOSA-N 397.475 3.823 0 40 GHAB CC(C)c1cccc(NC(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)c1 12946759 YBJKZGJINYMLOV-LJQANCHMSA-N 399.516 3.512 0 40 GHAB COc1ccc(C(=O)N(C)CCOc2cccc(Cl)c2)c(OC)c1OC 12917894 VQUNVLHTJWHLOK-UHFFFAOYSA-N 379.840 3.517 0 40 GHAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c1 3620156 UJDYNGNLIBITSC-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB Cc1ccc(NC(=O)CN(C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 13062812 KLXPEOURHVHPHK-QGZVFWFLSA-N 397.544 3.783 0 40 GHAB CCOC(=O)CSc1nc2c(c(=O)[nH]1)[C@@H](C1CCCC1)Cc1ccccc1-2 8766932 AWXJWSOMESGZIW-MRXNPFEDSA-N 384.501 3.922 0 40 GHAB COc1ccc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)ccc2c1 49574633 UMRGYZAFFRYDRG-UHFFFAOYSA-N 382.504 3.613 0 40 GHAB Cc1cccc(C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2C=CS(=O)(=O)C2)c1 5070755 XQKBYMVLTIPDKM-QGZVFWFLSA-N 375.877 3.914 0 40 GHAB CNC(=O)NC(=O)[C@@H](Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 6284877 FZKUEAAEAXHYCL-NRFANRHFSA-N 389.455 3.874 0 40 GHAB C[C@@H](OC(=O)CCCCc1cn[nH]n1)C(=O)Nc1ccccc1-c1ccccc1 97162168 XRTWRXVZSRRZER-MRXNPFEDSA-N 392.459 3.755 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c1 14184408 UKPVXIMKSSEXQS-UHFFFAOYSA-N 397.880 3.793 0 40 GHAB Cc1cc(Br)cc(Br)c1OCC(=O)NC1CCCC1 4699672 CAEMXTPKRYQJKT-UHFFFAOYSA-N 391.103 3.958 0 40 GHAB O=C(CNc1ccccc1C(=O)NCCc1ccccc1)Nc1ccccc1F 5689815 BAKXJLRTEIULDS-UHFFFAOYSA-N 391.446 3.849 0 40 GHAB COc1ccccc1N1CCN(C(=O)/C=C/c2cc(C)n(C3CC3)c2C)CC1 7123923 OSCIMWMBFWMDAI-DHZHZOJOSA-N 379.504 3.810 0 40 GHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc2c(c1)OCCO2 7191748 VTBFEUQUINMVAB-UHFFFAOYSA-N 389.407 3.706 0 40 GHAB CCOc1ccc(NC(=O)CSc2nc3ccccc3n2CCOC)cc1 9073987 VOTDMRPDNOMDOT-UHFFFAOYSA-N 385.489 3.812 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cnc(C)cn1)CC2 7979410 OAIUWNWKOIIOLX-JOCHJYFZSA-N 389.455 3.590 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)c2nn(C)c(=O)c3ccccc23)cc1 8074461 PKDOHMNOFFMPFS-HXUWFJFHSA-N 391.471 3.700 0 40 GHAB c1cncc(-c2nc(Sc3nnnn3C3CCCC3)c3ccccc3n2)c1 8131930 RHGGKKGTBBJOED-UHFFFAOYSA-N 375.461 3.945 0 40 GHAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 9377555 MKCYCVCSODEAOC-INIZCTEOSA-N 387.892 3.625 0 40 GHAB O=C(CSCc1ccc(Cl)cc1Cl)NCC[C@H](O)C(F)(F)F 72288829 NKJDWDPUAUUUQZ-NSHDSACASA-N 376.227 3.656 0 40 GHAB C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc([S@](C)=O)cc1 95452088 IJCFERMCMGJBOB-VCCADOKLSA-N 385.533 3.551 0 40 GHAB Cc1cc(C)nc(Nc2cccc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c2)n1 85879718 DHPJAIAGVCMRQQ-PZJWPPBQSA-N 393.535 3.831 0 40 GHAB biogenic CCCCn1nc(C)c(/C=C/C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1Cl 24003594 FVFLZVACDLUJQV-ZHACJKMWSA-N 395.912 3.700 0 40 GHAB Cc1cc2oc(C(=O)NC[C@H](c3ccccc3)N(C)C)cc(=O)c2cc1Cl 28289586 MOUOXBHOHDCBEW-QGZVFWFLSA-N 384.863 3.788 0 40 GHAB CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OCC 408698254 OGKZCYJTHURBRY-UHFFFAOYSA-N 396.896 3.598 0 40 GHAB CCCCNS(=O)(=O)c1ccc(OC)c(-c2noc(C3CCCCC3)n2)c1 33013463 LKEVNFOQEAESMM-UHFFFAOYSA-N 393.509 3.871 0 40 GHAB CCCCc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(F)cc2)cc1 39985597 VRJOMXDWFKMAMZ-UHFFFAOYSA-N 392.496 3.818 0 40 GHAB CC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)s1 32808741 FREJPZRBNWRAFC-UHFFFAOYSA-N 396.434 3.928 0 40 GHAB Cc1cccc(C)c1NCc1nc(-c2ccc(CN3CCOCC3)cc2)no1 525238407 PYXBRDQXHKMPAM-UHFFFAOYSA-N 378.476 3.798 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C)c(C)c3)n2)c1 219522605 KTKGVLQZMVUKSP-MRXNPFEDSA-N 395.459 3.788 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219712591 FMDZVIRORUBEID-UHFFFAOYSA-N 380.897 3.688 0 40 GHAB COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(N3CCCC3=O)c1)CC(C)(C)O2 219215354 IUZRMAFKGHCPCX-IBGZPJMESA-N 394.471 3.854 0 40 GHAB O=C1NC2(CCN(Cc3ccccc3Cl)CC2)N=C1c1ccc(Cl)cc1 35430855 ITYNGFXZMDZNLR-UHFFFAOYSA-N 388.298 3.905 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)c(C)c1 223738354 JPHADHNKDCFJCB-UHFFFAOYSA-N 391.533 3.967 0 40 GHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)c1 44880885 WZVSAOLVQCDVLB-CYBMUJFWSA-N 389.473 4.000 0 40 GHAB CC1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccs4)on3)C2)CC1 46085564 IAOMFMFCTIUUNK-HNNXBMFYSA-N 387.505 3.514 0 40 GHAB O=C(Nc1ccc(Br)nc1)c1cnn(-c2cccc(Cl)c2)c1 133936647 PUSVKBKAGITFBY-UHFFFAOYSA-N 377.629 3.936 0 40 GHAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 224628546 TZOCLOVXIWOFBT-SFHVURJKSA-N 382.570 3.874 0 40 GHAB O=C(NCCCCN1CCN(Cc2ccccc2)CC1)Nc1ccccc1F 47325926 XXIQFXVWVYBVGG-UHFFFAOYSA-N 384.499 3.545 0 40 GHAB CSc1cccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220063894 PUIFXUSQRACOAM-UHFFFAOYSA-N 398.937 3.775 0 40 GHAB CCOC(=O)c1cc(N(C)S(=O)(=O)c2ccc(OCC)cc2)ccc1Cl 224606871 PBIJRPSLHUMDFV-UHFFFAOYSA-N 397.880 3.741 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 224910570 LKSZVCYIHCVZNL-QFIPXVFZSA-N 396.531 3.817 0 40 GHAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)COc1ccccc1F 95482480 DPANYGFLYOSFLU-UHFFFAOYSA-N 375.787 3.567 0 40 GHAB Cc1noc(C)c1-c1cc(C2CCN(C(=O)Cc3cccnc3)CC2)ccn1 257333008 XZQRVPHDYKAHAU-UHFFFAOYSA-N 376.460 3.697 0 40 GHAB CC(C)C[C@@H](C(=O)NCCS(=O)(=O)C(F)(F)F)c1ccc(Cl)cc1 1632650713 GKAGIVHGBSTHQZ-CYBMUJFWSA-N 385.835 3.521 0 40 GHAB CO[C@@H](C(=O)Nc1ccnc2c(Cl)cc(Br)cc12)[C@@H]1CCOC1 622854787 VICIIEIWYDWQGG-RFAUZJTJSA-N 399.672 3.641 0 40 GHAB CC(C)n1ncc(C(=O)N[C@@H](C)COc2ccc(F)cc2F)c1C(F)(F)F 60337289 KNCKMZHPNLZXRO-JTQLQIEISA-N 391.340 3.958 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)OCc2csc(-c3ccc(F)cc3)n2)cc1 5621336 AESHMFWJOHNPPB-UHFFFAOYSA-N 391.445 3.710 0 40 GHAB CCCCn1c(S)nnc1-c1ccc(NS(=O)(=O)c2ccccc2)cc1 13533952 CTMIXCRGHHVRPI-UHFFFAOYSA-N 388.518 3.835 0 40 GHAB COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 16071097 ONPAAZISZQZXIU-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB CN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21 17083431 OFYCSIKRICVGTO-KRWDZBQOSA-N 394.652 3.540 0 40 GHAB COc1ccccc1C(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1ccncc1 19290094 PTZZEJDGPXCGNT-LJQANCHMSA-N 376.460 3.858 0 40 GHAB O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1cc2c([nH]c1=O)CCC2 19375827 STMNBKHFLNAIMS-UHFFFAOYSA-N 398.466 3.777 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2COc3c(cccc3OC)C2)c(OC)c1 19552094 MXTKRHCOKICTGL-QFBILLFUSA-N 397.471 3.627 0 40 GHAB COc1cccc(CN2C[C@@H](c3cc[nH]n3)[C@H](c3ccc(F)cc3)C2)c1OC 19568091 QHYWAFKOIACGPW-RBUKOAKNSA-N 381.451 3.949 0 40 GHAB Cc1nonc1COc1ccccc1C(=O)Nc1nc(-c2ccccn2)cs1 19663287 LTRRGMZAEDWFMR-UHFFFAOYSA-N 393.428 3.728 0 40 GHAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CC1 7387962 ZXNDZCFSXCEDMU-ZHACJKMWSA-N 381.476 3.626 0 40 GHAB CC[C@@H](C(=O)N1CCC(c2noc(-c3cnc(C)cn3)n2)CC1)c1ccccc1 12187435 KQZBPFWRKDSHDX-GOSISDBHSA-N 391.475 3.735 0 40 GHAB Cc1ccc(OCCN2CCCC2)c(NC(=O)c2ccc3c(c2)ncn3C)c1 19718416 POKHBZLDAMSXGD-UHFFFAOYSA-N 378.476 3.609 0 40 GHAB CC(C)n1c(N2C[C@@H]3CN(C(=O)CCC(F)(F)F)C[C@H]3C2)nc2ccccc21 1888860279 LOIUIZYNYZKYFQ-GJZGRUSLSA-N 394.441 3.854 0 40 GHAB COc1ccc2cc(C(=O)NC[C@H](O)c3ccc(-c4ccco4)s3)[nH]c2c1 1889006022 BPQRAKICMLJPIW-INIZCTEOSA-N 382.441 3.961 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc3c(s2)CCCCC3)c1 24153165 XEAHNPNRASBJLC-UHFFFAOYSA-N 379.503 3.769 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@@H](c2noc(-c3ccco3)n2)C1 245180721 ZHTRANBPUWAPDO-CYBMUJFWSA-N 395.444 3.515 0 40 GHAB COc1ccc(C)cc1CC(=O)N1CCC[C@@](COc2ccccc2)(OC)C1 2037916091 MYAHINPGGWMUQU-HSZRJFAPSA-N 383.488 3.633 0 40 GHAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccccc3OC)C2)cc1 907731 PZAMPEWNCSRTQL-IBGZPJMESA-N 396.443 3.636 0 40 GHAB C1=C(CCNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)CCCC1 1440018 WIOGZHGLPOBFTM-UHFFFAOYSA-N 380.496 3.754 0 40 GHAB COc1ccc2cc(CCNC(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]c2c1 4032866 BHUNXCVVNWPQID-UHFFFAOYSA-N 390.361 3.528 0 40 GHAB Cc1ccc(NC(=O)COc2cccc3ccc(N4CCOCC4)nc23)c(C)c1 8769560 RHDAZJIRJFZNPM-UHFFFAOYSA-N 391.471 3.706 0 40 GHAB O=C(CSc1nc(CC(=O)NC2CCCC2)cs1)Nc1ccc(F)cc1 8851832 KAMJUIKBZKVGMV-UHFFFAOYSA-N 393.509 3.614 0 40 GHAB O=C(c1ccc(F)c(Cl)c1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575617409 PHIRHNYSNGBLJA-AWEZNQCLSA-N 385.826 3.666 0 40 GHAB O=C(c1cc(C2CC2)on1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19294302 LCLPSQQSXCMQFY-DSKINZAPSA-N 383.467 3.832 0 40 GHAB O=c1cc(C[C@@H](NCc2cccnc2)c2ccc(F)cc2)nc(C2CCC2)[nH]1 19339686 IDJAGNMYSXUWBK-HXUWFJFHSA-N 378.451 3.645 0 40 GHAB COc1ccc(-c2nc(CN3CCN(C(=O)C4CCCC4)CC3)cs2)cc1 30568419 ARUTUNQLOSZERE-UHFFFAOYSA-N 385.533 3.653 0 40 GHAB O=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1cccnc1)C1CC1 30615556 YLRDCZVTORQEKS-UHFFFAOYSA-N 375.428 3.839 0 40 GHAB CCCn1c(=O)c(C(=O)NCCc2ccc(Cl)cc2)c(O)c2ccccc21 100621159 YUYSPVNHYRIDBV-UHFFFAOYSA-N 384.863 3.743 0 40 GHAB CC(C)CC(=O)Nc1ccc2c(c1)nc(COc1ccc3c(c1)OCO3)n2C 31820248 VUGWQCIUAJLBGG-UHFFFAOYSA-N 381.432 3.866 0 40 GHAB O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1 101876612 YYBRNGQLMHWYEF-UHFFFAOYSA-N 383.398 3.937 0 40 GHAB CC(=O)c1sc(NC(=O)CCN2CCSC2=O)nc1-c1ccccc1 32784633 OIKUSEBYFUNBBZ-UHFFFAOYSA-N 375.475 3.510 0 40 GHAB Cc1ccc(CNC(=O)c2nnc(CN(C)Cc3sccc3C)s2)cc1 32770485 SHBQFAWJOSRXHI-UHFFFAOYSA-N 386.546 3.778 0 40 GHAB CCOC(=O)[C@H](NC(=O)[C@@H]1CC=CCC1)c1c(C)nn(-c2ccc(F)cc2)c1C 32753615 GRQFTIOWKYJWOH-OXQOHEQNSA-N 399.466 3.705 0 40 GHAB CCN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccc(OC)c(F)c1 32738495 HVBOUKOVGUHHIJ-UHFFFAOYSA-N 385.888 3.784 0 40 GHAB Cc1nc2ccccc2nc1COC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 32830292 PNWHVBICGMSGSL-HNNXBMFYSA-N 385.464 3.629 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCCN(Cc2ccc(C)cc2)CC1 32892865 NKJOJHJBWSMDEY-QHCPKHFHSA-N 395.547 3.929 0 40 GHAB O=C(NCCN1CCOCC1)c1sc(-c2ccccc2)nc1-c1ccccc1 29632633 UFPUWGWMZVIBCH-UHFFFAOYSA-N 393.512 3.539 0 40 GHAB NC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 32937350 VMLKLWWTDXGABY-UHFFFAOYSA-N 380.448 3.948 0 40 GHAB CC(C)c1c(C(=O)NCc2nc3ccccc3s2)cnn1-c1ccccn1 32913844 BSCYBMKYOBRENZ-UHFFFAOYSA-N 377.473 3.930 0 40 GHAB NC(=O)OC[C@H](COc1ccc(Cl)cc1)OC(=O)c1ccccc1Cl 1624695 DXOATRNSTMLOJU-ZDUSSCGKSA-N 384.215 3.693 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc(OC)cc2OC)cc1 1983979 IRQMHSYESMCIRN-BMQCOBNYSA-N 383.444 3.850 0 40 GHAB C[C@H](NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)[C@@H]1CCCO1 2780627 TVHVDNWNFNFEMU-ONGXEEELSA-N 379.810 3.507 0 40 GHAB COC(=O)c1sc2ncn3nc(-c4ccccc4OC(F)F)nc3c2c1C 2792321 QUWVTBFZTUTXJE-UHFFFAOYSA-N 390.371 3.702 0 40 GHAB O=C(Nc1nc2ccc(Br)cc2s1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4175205 YRLQTVLZBUOZGD-HTEOGMQZSA-N 393.262 3.520 0 40 GHAB O=C1C[C@H](Nc2ccc3c(c2)CCC3)C(=O)N1c1ccccc1Br 103292751 IBPSPVGTBMNNJP-INIZCTEOSA-N 385.261 3.682 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21 4884967 HFCNVIGCAVEVOF-UHFFFAOYSA-N 398.406 3.805 0 40 GHAB Cc1cc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C(C)C)no1 4948769 RXKVQUPEAUAPCF-UHFFFAOYSA-N 392.506 3.683 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2cccc(Br)c2)cc1Cl 6383710 NDFHSFAHHVNZPM-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB Cc1ccc(CNC(=O)CSc2nnc(C)n2-c2ccc(Cl)cc2)cc1 6965982 MDVSQXHAJBXXPI-UHFFFAOYSA-N 386.908 3.946 0 40 GHAB COc1ccc(OC)c(C[C@H]2SC(=O)N(CCCc3ccccc3)C2=O)c1 8114528 AIUGGSQRWWAXNB-LJQANCHMSA-N 385.485 3.943 0 40 GHAB O=C1CCSc2ccc(C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)cc2N1 23100847 XILPRYSOJXIEJP-QGZVFWFLSA-N 398.484 3.931 0 40 GHAB O=C([C@@H]1CCCN(Cc2ccccn2)C1)N1CCC(Cc2ccccc2)CC1 1277533 HBFZNKLHHSIZCR-JOCHJYFZSA-N 377.532 3.775 0 40 GHAB CC(C)CNc1nc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cs1 61720756 SFAHBWPHAPKKDB-UHFFFAOYSA-N 393.940 3.988 0 40 GHAB CCn1nc(C)c(C(=O)Nc2ccc(-n3cnc(Cl)c3Cl)nc2)c1C 61720797 MGCHUWCVRRDYFN-UHFFFAOYSA-N 379.251 3.660 0 40 GHAB O=S(=O)(Cc1cc(N2CCCC2)nc(-c2ccccc2)n1)c1ccccc1 1404373 VBBLIITYVQYYDA-UHFFFAOYSA-N 379.485 3.718 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 25212322 LLOBNKFGDYIRCB-ZDUSSCGKSA-N 387.867 3.915 0 40 GHAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccco1 12541882 GBIXVMJNKPRKLT-LBPRGKRZSA-N 376.459 3.633 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c2c1[C@H](C)CC2=O 25822868 JXOUYBCQMLQCND-MRXNPFEDSA-N 394.471 3.539 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)[C@H](C(=O)N1CCCC1)c1ccccc1 57369496 HXPAILYZGCOGBY-QHCPKHFHSA-N 388.515 3.727 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(C)cs3)cc2)cc1 3241805 VCNMZMYBXNZNEM-UHFFFAOYSA-N 387.486 3.813 0 40 GHAB COc1cc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc(OC)c1OC 72303140 BOVHKBFALFFSMC-OAHLLOKOSA-N 387.501 3.967 0 40 GHAB C[C@@H](NC(=O)c1c(Br)c(C(F)(F)F)nn1C)[C@H]1C[C@@H]2CC[C@@H]1C2 101988340 KHLWMNDVTGHUOK-ZYUZMQFOSA-N 394.235 3.756 0 40 GHAB CCCc1noc([C@@H](C)N2CCCN(C(=O)c3ccccc3Cl)CC2)n1 58167858 MPDSUIHDDGFSFS-CQSZACIVSA-N 376.888 3.585 0 40 GHAB CCCOc1ccc(CNC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1 72332149 NZAXYNWAFNTENV-UHFFFAOYSA-N 383.423 3.914 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cnn(C[C@H]2CCCO2)c1 58358138 VTFMFKWRUPMCHY-GOSISDBHSA-N 391.537 3.777 0 40 GHAB CCCCn1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 2247862 FRJBSWOQFNNEAY-UHFFFAOYSA-N 398.463 3.939 0 40 GHAB O=C(c1ccc(Cn2cc(Cl)cn2)cc1)N1CCN(c2ccccc2F)CC1 27969653 NJVSJHZAIBOMKY-UHFFFAOYSA-N 398.869 3.686 0 40 GHAB CC(C)c1nc2oc3c(N4CCOCC4)ncnc3c2c2c1COC(C)(C)C2 2329951 GVJNFJGNHKHQGE-UHFFFAOYSA-N 382.464 3.582 0 40 GHAB C[C@H](NC(=O)NCCNc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2 45402496 ZWKQVVFGVOCTJX-JTQLQIEISA-N 397.262 3.589 0 40 GHAB C[C@@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)NCc2cccc(Cl)c2)N=C1O 36593927 NBVMJOPWTOJCLR-KBXCAEBGSA-N 399.878 3.622 0 40 GHAB CN(C)[C@H](CNC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccs1 28800176 SXAOOSVKUJQRSS-CQSZACIVSA-N 387.427 3.749 0 40 GHAB CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1ccccc1 12730719 KQTKBXYGLOMWEC-INIZCTEOSA-N 392.546 3.510 0 40 GHAB CC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 12738210 KUEFIDSNXNPQEJ-QGZVFWFLSA-N 392.565 3.613 0 40 GHAB O=C(CCNC(=O)c1cccs1)OCC(=O)c1ccc(Cl)cc1Cl 36775503 VQRSYWSRCBTFPV-UHFFFAOYSA-N 386.256 3.601 0 40 GHAB O=C1CCCN1Cc1cccc(N[C@@H](C(=O)N2CCCCC2)c2ccccc2)c1 45820985 MJZKUPXBHVIJRF-HSZRJFAPSA-N 391.515 3.975 0 40 GHAB O=C(Cc1ccccc1)NCCC(=O)N[C@@H](c1ccccc1)c1cccs1 12740441 ZJIMSGNPLDYMON-QFIPXVFZSA-N 378.497 3.703 0 40 GHAB Fc1cccc(-n2nnnc2SCc2cc(Cl)c3c(c2)OCCO3)c1 8428889 MHSZQWDPZGNPKZ-UHFFFAOYSA-N 378.816 3.518 0 40 GHAB CCc1noc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)n1 48303164 FLKBIJABMIKGFG-HXUWFJFHSA-N 385.489 3.858 0 40 GHAB Cc1cc(C(=O)COc2nnc3ccccn23)c(C)n1CCc1cccs1 12812890 POAZDXMFTOVZHS-UHFFFAOYSA-N 380.473 3.714 0 40 GHAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)NC2CC2)cc1 12989293 IPRJHAXAYSHORV-UHFFFAOYSA-N 385.272 3.686 0 40 GHAB Cc1nc(CSc2nc3scc(-c4ccccc4)c3c(=O)n2N)oc1C 63414118 GYTDWUIVOJQTQC-UHFFFAOYSA-N 384.486 3.736 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)NC(C)C 8705132 GTSCEJYQEPSCDI-UHFFFAOYSA-N 390.505 3.758 0 40 GHAB CC[C@]1(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCC(=O)NC1=O 13627288 AGTSDCGHIZAPSA-JOCHJYFZSA-N 376.412 3.770 0 40 GHAB Cc1[nH]c2ccccc2c1CCNC(=O)C1CCN(C(=O)c2ccccc2)CC1 13693597 ICCNUUFKVIFPSH-UHFFFAOYSA-N 389.499 3.687 0 40 GHAB Cc1ccc(Nc2nc(COC(=O)CCNC(=O)c3ccco3)cs2)cc1 6122287 KQLUUAPZDKBVAG-UHFFFAOYSA-N 385.445 3.651 0 40 GHAB Cc1ccc(-n2cnnc2SCC(=O)Nc2ccnn2C2CCCC2)c(C)c1 6104872 BIDPLHNCUHWINW-UHFFFAOYSA-N 396.520 3.927 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 26119062 XKWJRAGWEYYZRV-OAHLLOKOSA-N 398.594 3.748 0 40 GHAB O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CCCN1c1ncnc2ccccc12 14197936 NSUCOBRXRNJALQ-RTBURBONSA-N 390.512 3.952 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCC(C)C)ccc1Cl 5443632 BPXWTWHWQGTUBY-AWEZNQCLSA-N 388.961 3.925 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1cccc(OC)c1 5478055 UUUFNGRUBZIPEA-UHFFFAOYSA-N 398.488 3.713 0 40 GHAB COc1ccc2nc(NC(=O)c3nn(C(C)C)c(=O)c4ccccc34)sc2c1 6551643 ZHBCLCKUIVMUSS-UHFFFAOYSA-N 394.456 3.848 0 40 GHAB Cc1cccc(C(=O)N[C@H](C)C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1 6553411 WBQVLTHNMNYCEN-DNVCBOLYSA-N 378.476 3.503 0 40 GHAB C[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2cccc(C(F)(F)F)c2)C1=O 4811505 LSOOPFQAHVSZKC-QGHHPUGFSA-N 378.375 3.979 0 40 GHAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1F 7729030 XVWZOCZMGHHEHV-UHFFFAOYSA-N 385.342 3.831 0 40 GHAB CNc1snc(C)c1C(=O)OCc1csc(-c2ccc(OC)cc2)n1 16552928 XQFAKFHQFOZDQQ-UHFFFAOYSA-N 375.475 3.982 0 40 GHAB Cc1cc(C(=O)CSCc2cc(=O)n3c(C)csc3n2)c(C)n1C1CC1 8390952 YRYQYEAIBYTZRU-UHFFFAOYSA-N 387.530 3.934 0 40 GHAB CCc1cc(-c2nnc(SCC(=O)Nc3cccnc3Cl)n2C)cs1 17080503 CEIIKHGBMWCOOA-UHFFFAOYSA-N 393.925 3.885 0 40 GHAB NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncnc2scc(-c3ccccc3)c12 110572273 WDBLGKMKELIUNG-XIRDDKMYSA-N 378.501 3.981 0 40 GHAB COc1cc(NC(=O)[C@@H](C)Sc2nc3cc(Cl)cnc3[nH]2)cc(OC)c1 9553021 XCNDVFIQDPEIQE-SECBINFHSA-N 392.868 3.748 0 40 GHAB COc1ccc2c(c1)OC[C@@H](C(=O)Oc1ccc([C@](C)(O)C(F)(F)F)cc1)C2 84651575 XJMHGCWIAGLCCQ-DJJJIMSYSA-N 396.361 3.622 0 40 GHAB O=C(c1nc(OCC2CC2)c2ccccc2n1)N1CC[C@@H](Nc2ccccc2)C1 95468840 IEDUHDDVXPQXPK-GOSISDBHSA-N 388.471 3.745 0 40 GHAB COc1cccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccs3)c3ccccc32)c1 9926021 TYHSUGBXEKVYPS-JOCHJYFZSA-N 393.464 3.764 0 40 GHAB Cc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 89585424 PCQHFLZPZIIFTM-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc(C)cc2)cc1OCC 67197646 QDAASQLGDQXQGY-MRXNPFEDSA-N 385.460 3.827 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)C1 33005378 MCWGJXZDLJTUNQ-CVEARBPZSA-N 380.488 3.775 0 40 GHAB Cc1cncc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 306123136 AFNFSNHMJVELHS-LJQANCHMSA-N 398.470 3.515 0 40 GHAB O=C(Cc1ccccc1)N1CCC[C@@H](c2nnc(Cc3ccc(F)cc3)o2)C1 35596882 WPUCDELJBOKYQR-GOSISDBHSA-N 379.435 3.748 0 40 GHAB COc1ccc(Nc2nc(C(=O)N[C@H](CO)c3ccccc3C)cs2)cc1 539983554 RXOSXGQTEIHXCX-QGZVFWFLSA-N 383.473 3.667 0 40 GHAB COc1cccc(CNC(=O)Cn2cc(-c3ccc(Cl)cc3)c(N(C)C)n2)c1 62007003 LZPDLNZFZKKMKW-UHFFFAOYSA-N 398.894 3.595 0 40 GHAB Cc1cccc(Oc2cc(CNC(=O)N3C[C@H](C)[C@](C)(CO)C3)ccn2)c1C 1564210126 DGHWNJIZTJPLEQ-AOMKIAJQSA-N 383.492 3.651 0 40 GHAB COc1cccc(N([C@@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 220170209 VHTRGGMIJHXLRV-HNNXBMFYSA-N 390.505 3.612 0 40 GHAB Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 44852899 MNROALBUVQOBLU-GOSISDBHSA-N 384.495 3.930 0 40 GHAB CC(C)COc1ccc(NC(=O)C2(C)COC(=O)OC2)cc1C(F)(F)F 225953717 MXYYMRISUPQZSU-UHFFFAOYSA-N 375.343 3.852 0 40 GHAB O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1cccc(F)c1 44836584 TYQCJNMVIMSFCS-UHFFFAOYSA-N 377.169 3.995 0 40 GHAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 223837751 OTHAQILHAJYDIF-UXHICEINSA-N 378.501 3.996 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 224628505 TZOCLOVXIWOFBT-GOSISDBHSA-N 382.570 3.874 0 40 GHAB C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 47081071 NVVYHMJLWTWAGW-WMZOPIPTSA-N 398.528 3.856 0 40 GHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 225650877 IPIPPWJOFSMAJA-SFHVURJKSA-N 393.531 3.723 0 40 GHAB CCCCc1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 225278032 XCBUSPYRMWAURH-UHFFFAOYSA-N 388.533 3.738 0 40 GHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223270691 ZSXUXMRZWIESPR-JOCHJYFZSA-N 396.531 3.817 0 40 GHAB CN1CCN(CCOc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)CC1 20573282 JSSYHTBMTBNVSC-UHFFFAOYSA-N 398.890 3.740 0 40 GHAB biogenic CC1=C[C@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N2c2ccccc21 95346296 URWWPGYCVYYYMF-CADBVGFASA-N 394.515 3.676 0 40 GHAB CC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(C)cc1C 260808251 HQKMPWKQEPCGHG-UXHICEINSA-N 388.533 3.503 0 40 GHAB O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccn(CCC(F)(F)F)n1 1263864775 NLTCWSDRHHTWOC-ZDUSSCGKSA-N 396.196 3.606 0 40 GHAB O=C(NCCNc1cc(Nc2ccccn2)ncn1)Nc1ccccc1Cl 90607982 YVJWYCATKZMGIO-UHFFFAOYSA-N 383.843 3.502 0 40 GHAB COc1cc2c(nn1)CCN(C(=O)c1cc3cc(C(F)(F)F)ccc3s1)C2 612502622 NXNROYXQASQNFM-UHFFFAOYSA-N 393.390 3.917 0 40 GHAB O=S(=O)(NCc1ccc(-c2ccoc2)nc1)c1cccc(C(F)(F)F)c1 390828111 AADMKTJWEYQHGS-UHFFFAOYSA-N 382.363 3.839 0 40 GHAB Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccco3)CC2)c2cccnc12 44030449 GLCBORHBCXOKQY-UHFFFAOYSA-N 378.432 3.563 0 40 GHAB Cc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)/C=C/CN(C)C)C3)c2)n1 585291316 AYMUNKRAJVCBBY-SSVWKNEZSA-N 393.535 3.661 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(Cc3cccnc3)C2)on1 72342922 FWKZXBVHASYNBV-GOSISDBHSA-N 388.475 3.776 0 40 GHAB O=C(NCCO)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccccc2)C1 72352393 JYIKGVRLVJLTHD-QGZVFWFLSA-N 380.513 3.613 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3c(F)cccc3F)C2)CN1c1ccc(F)cc1 1615130889 RHKMNPHQDFDPOU-NRFANRHFSA-N 390.405 3.502 0 40 GHAB CC(=O)Oc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 1228317 ZRNZVKNGSICLNR-YBEGLDIGSA-N 386.201 3.719 0 40 GHAB COc1cc2ccccc2cc1C(=O)NCc1ccc(CN2CCOCC2)cc1 18217554 NBXVJUDEYPABFU-UHFFFAOYSA-N 390.483 3.611 0 40 GHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)(C)C)C1 19081008 FFFYTUDHHYMTNQ-XMMPIXPASA-N 378.516 3.907 0 40 GHAB Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)CN1CCCCCC1 19239568 OKECKNZPYXADFB-FQEVSTJZSA-N 381.524 3.710 0 40 GHAB COc1ccc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 19555132 XLHNLPIHPNTDQE-HNNXBMFYSA-N 394.924 3.527 0 40 GHAB Cc1c(C(=O)N[C@@H](c2ccncc2)c2cccs2)nnn1-c1ccccc1F 19557792 KAPRMXAMNWGZIU-IBGZPJMESA-N 393.447 3.691 0 40 GHAB C[C@H]1C[C@@](O)(c2csc(Sc3ccc4c(c3)CC(=O)N4C)c2)CCO1 3809394 MQLADKMVHOOVET-HXPMCKFVSA-N 375.515 3.805 0 40 GHAB CN(CC1CCN(C(=O)c2cncc(F)c2)CC1)c1cc(C(F)(F)F)ccn1 1888873058 GCNIWNKBSCZLEW-UHFFFAOYSA-N 396.388 3.623 0 40 GHAB Cc1ccc(C(=O)N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)s1 1888891079 SLGIQLYRRPSEJX-UHFFFAOYSA-N 381.501 3.627 0 40 GHAB COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CCCCC1 24751461 KGNCMHUSGZCFLH-UHFFFAOYSA-N 382.707 3.722 0 40 GHAB CC(C)(C)c1cn2nc(OC[C@H]3CCN(c4nc(C5CC5)ns4)C3)ccc2n1 2087046250 BLFYSQLTCIFPIX-ZDUSSCGKSA-N 398.536 3.661 0 40 GHAB COc1ccc(-c2nsc(SCC(=O)Nc3nc(C)cs3)n2)cc1 3007395 XWRFBDFUGDYGGG-UHFFFAOYSA-N 378.504 3.709 0 40 GHAB CN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 10812376 LWPFTBURRJRLMU-AWEZNQCLSA-N 398.937 3.608 0 40 GHAB Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3ccccc3F)CC2)n1 12223802 DFAGTXGWIWCFJV-UHFFFAOYSA-N 392.434 3.679 0 40 GHAB CN(C)Cc1noc2ccc(NC(=O)Cc3ccc(Br)cc3)cc12 1775970439 MXPORSSLQQYPLY-UHFFFAOYSA-N 388.265 3.833 0 40 GHAB Cc1nc(C)c(-c2nnc(NC(=O)c3cnn(-c4ccccc4)c3C)o2)s1 49449458 MNFFCARLPNJIHJ-UHFFFAOYSA-N 380.433 3.556 0 40 GHAB COc1ccc(-c2nc(-c3cn(CC(=O)Nc4cccc(C)c4)cn3)no2)cc1 49420733 CGIJZRDCTWWAPA-UHFFFAOYSA-N 389.415 3.556 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc([C@H](O)c2ccsc2)s1 207966277 OXNCDQRGTZWITF-QMOMWQSXSA-N 399.493 3.950 0 40 GHAB O=C(O)C[C@@H](c1cccc(Br)c1)c1c(O)c2ccccc2oc1=O 33795587 MBPCTBZECVWPKZ-ZDUSSCGKSA-N 389.201 3.868 0 40 GHAB Cc1cc(C)n2nc(CC(=O)N[C@H](c3ccc(C(C)C)cc3)C(C)C)nc2n1 40131337 CVYJZTIGRKWUMY-NRFANRHFSA-N 379.508 3.921 0 40 GHAB Cc1ccc(-n2nc(C)c(NC(=O)c3cccc(C[S@@](C)=O)c3)c2C)cc1 31027544 QWGHQIQPBOBCCU-MHZLTWQESA-N 381.501 3.928 0 40 GHAB COc1cc([C@@H]2C=C(c3ccc(C)cc3)Nc3ncnn32)cc(OC)c1OC 100834886 JTVYIZHEIZQWDP-KRWDZBQOSA-N 378.432 3.668 0 40 GHAB CC(C)CNC(=O)c1ccc2c(c1)nc1n2CCN([C@@H](C)c2ccccc2)C1 20734413 VQYKGMNDHMXFHA-KRWDZBQOSA-N 376.504 3.999 0 40 GHAB Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)cn1 32796354 NSNIBMAKLDLNPU-UHFFFAOYSA-N 393.374 3.762 0 40 GHAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc2c(c1)CCC(=O)N2 32841132 RIQPOOJFYRLOQI-UHFFFAOYSA-N 393.395 3.851 0 40 GHAB CCCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2OC)cc1 12062744 VKMOMDHTDNJDCF-CQSZACIVSA-N 397.431 3.940 0 40 GHAB CCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 875312 YRBRVYCLUJHGOP-UHFFFAOYSA-N 383.492 3.872 0 40 GHAB Cc1ccccc1C(=O)Oc1cccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1 102617880 ICENQYHYSLHPCM-CWFSZBLJSA-N 375.424 3.916 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(C(=S)NC[C@@H]3CCCO3)C3CCCC3)cc2c1 1224160 DVYZYJVJWZHKPJ-IBGZPJMESA-N 399.560 3.635 0 40 GHAB CC(C)(C)c1nc(CN2CCN(CCSc3ccc(Cl)cc3)CC2)no1 78822182 DPZJRZPNCCUCLG-UHFFFAOYSA-N 394.972 3.930 0 40 GHAB Cc1csc(Sc2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3C(N)=O)cc2)n1 79095830 JXZIRKBKZROYQY-LSDHHAIUSA-N 390.534 3.768 0 40 GHAB CN(C)CCCn1cnc2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc21 79480425 ZGZHFEDAJYHNBW-UHFFFAOYSA-N 389.503 3.661 0 40 GHAB Cc1cc(N2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)nc(C(C)C)n1 52754202 OKYDKVIOTPQXTJ-UHFFFAOYSA-N 383.540 3.870 0 40 GHAB Cc1sc2nc(CSc3nnc(-c4ccccc4)n3C)[nH]c(=O)c2c1C 3867305 ILCMATFJBIKZGK-UHFFFAOYSA-N 383.502 3.689 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)c1 4355169 CYTYSUNFSYMJFF-KRWDZBQOSA-N 398.507 3.746 0 40 GHAB CC1CCN(C(=O)c2sc3nc4cc5c(cc4cc3c2N)OCCO5)CC1 4848842 INNZKXLHEKYNOF-UHFFFAOYSA-N 383.473 3.675 0 40 GHAB COc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(Cl)cc3)n2)cc1OC 4998150 GVVGVHBARINDAH-NSHDSACASA-N 387.823 3.898 0 40 GHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 6337171 QDNMURDIHYMPNA-QGZVFWFLSA-N 386.517 3.742 0 40 GHAB C=CCOc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1Br 7603509 ZSNVGPGNKBEQGR-JYRVWZFOSA-N 397.250 3.923 0 40 GHAB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)c1ccccc1 7881602 LWYVXNKGCPNSOS-CRAIPNDOSA-N 385.847 3.898 0 40 GHAB Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)c2ccc(Cl)cc2)CC1=O 7881611 KSPUYVNKAPBCIR-MRXNPFEDSA-N 385.847 3.736 0 40 GHAB Cc1ccccc1CN(C)C(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 12110218 WCHHKLSEXMYHLU-UHFFFAOYSA-N 397.862 3.854 0 40 GHAB CC(C)CCC[C@@H](C)NC(=O)CNC(=O)N1CCc2c([nH]c3ccccc23)C1 12297087 PMPAZQCCKQKNSX-MRXNPFEDSA-N 384.524 3.567 0 40 GHAB biogenic Cc1cc(CN2CCN(Cc3ccncc3)CC2)c(C)n1-c1ccnn1C(C)C 22788505 VFNLHBUBBXGDDE-UHFFFAOYSA-N 392.551 3.584 0 40 GHAB CCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccc(OC)cc2)c2ccccc21 12412019 KKZZXKDFCAGMID-DEOSSOPVSA-N 399.450 3.987 0 40 GHAB CC1CCN(Cc2csc(NC(=O)c3ccc(-n4ccnc4)cc3)n2)CC1 24050882 OAYYJYPERKPSTF-UHFFFAOYSA-N 381.505 3.813 0 40 GHAB CCOC(=O)c1c(O)c(Cc2ccccc2)c(=O)n2c1[nH]c1cc(C)c(C)cc12 104266850 CZPXYUCCFAYXHC-UHFFFAOYSA-N 390.439 3.871 0 40 GHAB CN(C(=O)Nc1ccccc1)[C@@H]1c2cc(Br)ccc2OC[C@@H]1CO 3133905 XBKIGQDDHWZPJO-SJCJKPOMSA-N 391.265 3.655 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccccc1 1320542 MRXDIPKVXMJOOT-QHCPKHFHSA-N 375.399 3.833 0 40 GHAB O=C(c1ccn(COc2ccc(Br)cc2)n1)N1CCCCCC1 28234293 ZXHYPHNEIRIPEQ-UHFFFAOYSA-N 378.270 3.698 0 40 GHAB Cc1cc(CN(C)C(=O)c2csc(COc3ccc(Cl)cc3)n2)no1 25138585 QJTKNQSVFIULMF-UHFFFAOYSA-N 377.853 3.944 0 40 GHAB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CNCCn2ccnc2)cc1 26309288 WIMBOMHMXFRYJW-UHFFFAOYSA-N 375.451 3.973 0 40 GHAB COc1ccc(-n2ccc(C(=O)Nc3c4c(nn3-c3ccccc3)CCC4)n2)cc1 57255062 SFWRPPKOISCPKA-UHFFFAOYSA-N 399.454 3.808 0 40 GHAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3cccc(C(C)C)c3)CC2)cc1C 57486190 ANZKEFOFFMZXOQ-UHFFFAOYSA-N 393.531 3.823 0 40 GHAB COC(=O)c1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)cc1 35685106 SGRBDBXABPKGLD-QGZVFWFLSA-N 390.399 3.508 0 40 GHAB COc1ccc(OC)c(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c1 27026812 LMOZTMTVEMKSLX-FQEVSTJZSA-N 396.468 3.816 0 40 GHAB CCCN(CCc1ccccn1)S(=O)(=O)c1ccc(C)cc1Br 57924234 RWFCSKTXXLHPHC-UHFFFAOYSA-N 397.338 3.796 0 40 GHAB Oc1ccccc1N1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1 3255478 VHKBFXGTCQECBI-UHFFFAOYSA-N 379.432 3.513 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C[C@@H](O)c1ccc(OC(F)F)cc1 58160918 XSSVCOLLKSCKKG-QGZVFWFLSA-N 378.419 3.509 0 40 GHAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 58180895 HNLNESOSGQSFHC-SECBINFHSA-N 393.230 3.734 0 40 GHAB CCOc1cc2c(cc1CNC(=O)CC13C[C@@H]4C[C@H](CC(O)(C4)C1)C3)O[C@@H](C)C2 104279010 FSGSJCVQFMZNHF-LGTNCRDFSA-N 399.531 3.746 0 40 GHAB COc1ccc(Nc2nnc(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)s2)cc1 12654917 CZFQXVATZIKCIL-BETUJISGSA-N 392.550 3.887 0 40 GHAB O=C(COc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccccc1 102083528 OVVNDCMXEBIVJG-UGLBGHAASA-N 399.446 3.506 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113951802 MPGATPNFHOYLLJ-NRFANRHFSA-N 381.520 3.851 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)CC(=O)N3)cc1 10153414 NGXMSKGRHRYUTQ-OAHLLOKOSA-N 399.813 3.568 0 40 GHAB COc1ccc(C(C)=O)c(OS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 24236240 CYKMDYKSOUJQQC-UHFFFAOYSA-N 390.335 3.564 0 40 GHAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)NCCCc1ccccc1 28831409 CCBBGANWPOPKDE-UHFFFAOYSA-N 386.908 3.966 0 40 GHAB COc1cccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(C)cc2)CC3=O)c1 2403781 NQKYTXIYDKHUQR-QGZVFWFLSA-N 387.439 3.959 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CNc3cccc(Cl)c3Cl)ccc21 11622692 VKCJHMWUNXJLKJ-UHFFFAOYSA-N 378.259 3.953 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC(=O)N(Cc1ccco1)C1=CCCCC1 12777611 BUVXRUHXVPYJJA-UHFFFAOYSA-N 377.444 3.785 0 40 GHAB COc1ccc(CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OC 12810335 RAIGIQKVMVBDES-KYHPRHEASA-N 391.508 3.509 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(c2ccccn2)CC1 3415807 AMJASMJOGWCFSM-JOCHJYFZSA-N 390.462 3.723 0 40 GHAB C[C@H](NC(=O)Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1Cl 3464880 MZMCAIRDXJJESV-ZETCQYMHSA-N 395.073 3.734 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CCCN(C)S(=O)(=O)c1cccs1 8726771 SDCXODQBNPDRAT-UHFFFAOYSA-N 386.926 3.749 0 40 GHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 20494157 KGDABDIYKNRZPM-UHFFFAOYSA-N 378.881 3.884 0 40 GHAB CC(C)(C)n1cc(C(=O)c2ccccc2OS(=O)(=O)c2cccs2)cn1 4051118 YXBBJURGZGGNEP-UHFFFAOYSA-N 390.486 3.698 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1C 5289661 HXZAYHHICVKPHO-KBXCAEBGSA-N 383.469 3.921 0 40 GHAB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1CCc1cccs1 5270760 BLFHVONFVFYCAS-UHFFFAOYSA-N 382.485 3.770 0 40 GHAB C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(C(N)=O)cc1 65548159 GSVAKHBSNURRCC-NSHDSACASA-N 385.420 3.699 0 40 GHAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc(Oc2ccccc2)cc1 5321523 RXMJHQFIVGDSTF-UHFFFAOYSA-N 386.411 3.613 0 40 GHAB CC(C)CN(C(=O)/C=C/c1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 14198040 ZKBXALVWOYCVGQ-YFCVBGDOSA-N 390.332 3.678 0 40 GHAB CCCN1C(=O)[C@](O)(CC(=O)c2ccc(C)o2)c2cc(Br)ccc21 4545108 RVTLTFASZXUPAZ-SFHVURJKSA-N 392.249 3.568 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(N)cc1 4675863 FVSIYPMMXXTOHC-UHFFFAOYSA-N 381.505 3.895 0 40 GHAB CCC(=O)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1CCS(=O)(=O)C1 6661604 VZJFOSNEKQOGBB-OAHLLOKOSA-N 381.881 3.526 0 40 GHAB CCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccc(Cl)c1 4835003 FCBBELIEOUYIJI-UHFFFAOYSA-N 396.896 3.678 0 40 GHAB CC(C)n1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2ccccc2c1=O 7114356 NXNQKKQVDJKCGL-GOSISDBHSA-N 381.501 3.899 0 40 GHAB COCCn1c(Cc2ccccc2)nnc1SCc1cn2cc(C)ccc2n1 7738639 XXINWNICZMKDJT-UHFFFAOYSA-N 393.516 3.764 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3cc(C)nc4ccccc34)CC2)c(F)c1 16111041 PAROEAVSRPHEEL-UHFFFAOYSA-N 391.446 3.847 0 40 GHAB COc1ccc(-c2cc(CSc3nnnn3-c3ccccc3OC)on2)cc1 9386737 GKDSVLRUOZAZJA-UHFFFAOYSA-N 395.444 3.627 0 40 GHAB C[C@H](OC(=O)c1ccc2nc(N)sc2c1)C(=O)N[C@@H]1CCCc2ccccc21 7981276 ZORIYBLLIWFLEK-BLLLJJGKSA-N 395.484 3.618 0 40 GHAB COc1cc2c(cc1OC)CN(Cn1nc(C3CC3)n(C3CC3)c1=S)CC2 8106573 NRVWLYKAFJIYOW-UHFFFAOYSA-N 386.521 3.659 0 40 GHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)CCOc2ccccc21 8347578 ISLLGZSXHOYDEF-CQSZACIVSA-N 395.484 3.631 0 40 GHAB CCOc1cc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)ccc1OC(F)F 8313905 CTGXCTHXOYPTSJ-UHFFFAOYSA-N 396.365 3.537 0 40 GHAB CCOCCCNC(=O)[C@H](C)N1CCC(c2nc(-c3ccccc3)c(C)o2)CC1 72304923 QXQZRFKTHAXOFZ-KRWDZBQOSA-N 399.535 3.761 0 40 GHAB Cc1cc2ccccc2n1CC(=O)N[C@H](CC(C)C)C(=O)Nc1nccs1 95455974 YZOLQLWURAYIDM-MRXNPFEDSA-N 384.505 3.576 0 40 GHAB O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccn2cncc2c1 95972814 JPWYJDYLNNKZCN-UHFFFAOYSA-N 391.818 3.887 0 40 GHAB C[C@@](NS(=O)(=O)Cc1ccc(F)cc1F)(c1ccccc1)C(F)(F)F 95944116 KOPMKYKMHDKVOX-OAHLLOKOSA-N 379.350 3.862 0 40 GHAB Brc1ccc(-c2nnc(CSc3nnc4ccccn34)o2)cc1 89878876 VNDZMXMVLPGOEX-UHFFFAOYSA-N 388.250 3.834 0 40 GHAB COc1ccc(CCNC(=O)CSCc2cccc(Cl)c2)cc1OC 20238072 IKBZKHLXCFBPLO-UHFFFAOYSA-N 379.909 3.949 0 40 GHAB CCSc1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 20044072 UHXGWKRMRJPQND-UHFFFAOYSA-N 392.546 3.820 0 40 GHAB Cc1ccccc1CC(=O)N1CC[C@]2(C1)CN(Cc1cccnc1)c1cccnc12 306134756 NXLGZLVJZVSNPR-VWLOTQADSA-N 398.510 3.518 0 40 GHAB Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)N3CCC[C@H](C)C3)C2=O)cc1 67323891 ZZXMFRGZTSPTRI-SFHVURJKSA-N 381.520 3.545 0 40 GHAB COc1ccc(SCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1OC 30854743 YDIVKHJLPZJLNA-UHFFFAOYSA-N 388.489 3.573 0 40 GHAB Cc1ccc(N2C(SCc3cccc(C)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 32641227 ZXXDXUZVKYYCQZ-RTBURBONSA-N 386.542 3.578 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 219363562 LASXUCLUWCNIRW-IBGZPJMESA-N 395.459 3.870 0 40 GHAB COC(=O)c1ccc(CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 30208882 XHONLZCDTMNVOV-UHFFFAOYSA-N 389.455 3.809 0 40 GHAB COc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccc(F)cc23)cc1 64471639 BKFWUUYNKQYPSW-UHFFFAOYSA-N 381.407 3.599 0 40 GHAB O=C(N[C@H](CO)Cc1ccc(F)cc1)N[C@@H]1CCc2cccc3cccc1c23 1565383027 HCOOFJHFSRFFEF-PZJWPPBQSA-N 378.447 3.869 0 40 GHAB NC(=S)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218651097 YQDFYVJNPRGXMG-KFWWJZLASA-N 386.325 3.835 0 40 GHAB Cc1nccn1Cc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 38831781 FGCNUJVQZBFGKX-UHFFFAOYSA-N 388.515 3.766 0 40 GHAB CCc1nnsc1C(=O)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 72375539 JLYWWEQINHZSRO-CYBMUJFWSA-N 386.506 3.673 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=S)Nc2cc(C)ccc2F)cc1 71325955 LNSLXIIUZWOSHE-UHFFFAOYSA-N 395.525 3.974 0 40 GHAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 223630321 YVTZEODJBXSQBM-VQTJNVASSA-N 397.475 3.836 0 40 GHAB CCc1ccc(-n2cc(C(=O)OCC(=O)OC(C)C)c3ccccc3c2=O)cc1 44167259 QGAGHRKFCBQRQU-UHFFFAOYSA-N 393.439 3.662 0 40 GHAB Cc1ccc(CS(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 223641542 PYTDUCMAUIEPHR-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 225456106 WBSCECHFCYEZHV-QZTJIDSGSA-N 384.495 3.743 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 222399433 FUGOUBFYZGUNFW-SFHVURJKSA-N 384.545 3.700 0 40 GHAB CC(C)CNC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 223350004 MSJRHEKESIEOGU-UHFFFAOYSA-N 380.488 3.759 0 40 GHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1C1CC1 223216886 YXRSYWQDIPPBOI-SFTDATJTSA-N 397.592 3.759 0 40 GHAB Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1C 223457513 LESDIGRBPJPPPJ-KRWDZBQOSA-N 386.517 3.778 0 40 GHAB COCCNC(=O)Cc1ccc(NC(=O)c2ccc(-c3ccsc3)cc2)cc1 225616192 XRZTZTPGPAAIID-UHFFFAOYSA-N 394.496 3.973 0 40 GHAB COc1cccc(OC)c1CNC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 225912488 INFRJPMPUHQWTM-UHFFFAOYSA-N 392.459 3.784 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@](O)(c1ccco1)C1CC1 77099469 ZXIKERMWALSFCF-FQEVSTJZSA-N 386.835 3.924 0 40 GHAB O=S(=O)(NCCNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1 222986084 RDMPROJSNOMMBW-UHFFFAOYSA-N 396.299 3.932 0 40 GHAB Cc1cc(C)cc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225691853 XVRCFVWCTNJHJK-FQEVSTJZSA-N 396.531 3.667 0 40 GHAB CC[C@H](C)n1[nH]c(=NC(=O)NCCc2cc(Br)ccc2F)cc1C 578449486 ZDIPQQDOSCAZKO-NSHDSACASA-N 397.292 3.850 0 40 GHAB CC(C)(C)OC(=O)NC1CCN([C@@H](C(=O)O)c2ccc3ccccc3c2)CC1 95635350 XJUSPBLWXFRCRT-LJQANCHMSA-N 384.476 3.955 0 40 GHAB COc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCCCc2ccccc2)n1 260723279 XNMAEHOOSROKLJ-MRXNPFEDSA-N 399.564 3.783 0 40 GHAB Cc1ccc(S(=O)(=O)c2nnc3c(-c4ccc(Cl)cc4)cnn3c2C)cc1 618257053 QEOAGFLTIKBUDV-UHFFFAOYSA-N 398.875 3.894 0 40 GHAB CNC(=O)c1ccc(NC(=O)N2CC[C@H](CSc3ccccc3)C2)c(OC)c1 626675660 BSNBXKYOELQSOE-HNNXBMFYSA-N 399.516 3.701 0 40 GHAB O=C(c1cccc2cc(O)ccc12)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 633116863 CRGNSAZEVONVIT-HSZRJFAPSA-N 379.431 3.752 0 40 GHAB Cc1noc([C@@H]2CCN(S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)C2)n1 1251283384 MQTHCUKIMYJWGO-MRVPVSSYSA-N 396.683 3.516 0 40 GHAB COc1ccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CCN(C)CC2)cc1 5296680 QDOCJDGSDDIABI-OAQYLSRUSA-N 377.488 3.969 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)cc1C 12755662 GTLCLJNXWQRYQL-UHFFFAOYSA-N 391.452 3.905 0 40 GHAB CC(=O)Nc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)s1 12793552 QVGADXDFAPMKCY-NSHDSACASA-N 378.523 3.647 0 40 GHAB Cc1ccccc1OC[C@@H](O)Cn1cnc2scc(-c3ccccc3)c2c1=O 12926496 KXAHSUDEFGYRFW-KRWDZBQOSA-N 392.480 3.873 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714074 UYZVHJQLIFLLHP-KSSFIOAISA-N 394.924 3.762 0 40 GHAB c1ccc(CN2CCc3c(nc(N4CCCC4)nc3Oc3cccnc3)C2)cc1 19372394 LTZLKTVEKDERPC-UHFFFAOYSA-N 387.487 3.822 0 40 GHAB COc1ccc(-c2cnc3c(c2)CN(C(=O)c2scnc2C)CC3)cc1OC 19562195 MILSEYRZSOOVEN-UHFFFAOYSA-N 395.484 3.729 0 40 GHAB Cc1cc(C)c2[nH]c(C)c(CC(=O)N3CCCN(Cc4ccccn4)CC3)c2c1 19715603 QQPDYKHEDHVJOX-UHFFFAOYSA-N 390.531 3.765 0 40 GHAB COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@H]1CO2)C[C@@H](C(C)C)O4 6256722 DTFARBHXORYQBF-NDXORKPFSA-N 396.439 3.783 0 40 GHAB biogenic COCC(=O)N1CCCCCCCNCc2cc(NCc3cccnc3)ccc21 643574954 DLYYRCKTHVKAEC-UHFFFAOYSA-N 396.535 3.727 0 40 GHAB CN1CC[C@H](c2ncc3c(n2)CCN(C(=O)c2ccccc2-c2ccccc2)C3)C1 19588013 PSPWQVNTLNIIPR-IBGZPJMESA-N 398.510 3.761 0 40 GHAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2n1 5867460 SRPXSYJBWQJBOU-UHFFFAOYSA-N 395.484 3.580 0 40 GHAB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NCCC3=CCCCC3)n2)cc1 6141749 LWCBHGRQTRTKLR-AWEZNQCLSA-N 386.521 3.968 0 40 GHAB Cc1nc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cs1 7088293 SLGISAZCXUWZHU-LJQANCHMSA-N 379.441 3.947 0 40 GHAB COCCn1c(C)cc(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c1C 7016248 DKDOHYVUTNYIHV-UHFFFAOYSA-N 385.794 3.723 0 40 GHAB Cc1ccc(CN2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 1848352575 IVSUKDWFCOVDNQ-QHCPKHFHSA-N 382.479 3.922 0 40 GHAB CCn1cc(CN2CCC[C@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)cn1 1614946564 KVTQNULUKVGCQU-QFIPXVFZSA-N 384.499 3.589 0 40 GHAB Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1c[nH]c2ccccc12 4138379 RKNIOCARNVIFJG-UHFFFAOYSA-N 381.436 3.833 0 40 GHAB COc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccco3)nc12 7424593 FUHQFELBIOEFLW-UHFFFAOYSA-N 382.445 3.832 0 40 GHAB CC(C)c1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCCC2)cc1 8899992 MBCYCOUOBBVZGC-LJQANCHMSA-N 378.563 3.987 0 40 GHAB CC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)n[nH]c3n2)CC1 1857777447 AMADCPJVPLUGQO-UHFFFAOYSA-N 377.279 3.644 0 40 GHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)NCc1ccccc1 21882480 DQJSFFIFOFHVOR-UHFFFAOYSA-N 381.501 3.503 0 40 GHAB O=C(CN1CCN(c2ccccc2F)C1=O)Nc1ccc(F)c(C(F)(F)F)c1 49381300 ZTRAQSUHPUPBGB-UHFFFAOYSA-N 399.319 3.864 0 40 GHAB COc1cccc2cc(C(=O)N3CCC[C@H](Oc4nc(C)cc(C)n4)C3)oc12 575611094 AAPIQDDDSWWQEK-INIZCTEOSA-N 381.432 3.532 0 40 GHAB COc1ccc(-c2nnc(Nc3nc4cc5c(cc4s3)OCO5)o2)c(OC)c1 4137834 BEBYMLJUAUJUTL-UHFFFAOYSA-N 398.400 3.836 0 40 GHAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(c3ccccc3C)[C@@]1(C)Oc1ccccc12 100029645 XLBXVFNMJVGBKI-WFXMLNOXSA-N 382.485 3.719 0 40 GHAB COc1ccc(NC(=O)c2ccc(CN(C[C@@H]3CCOC3)C3CC3)cc2)cc1 40105895 HCQXIXAJAHMMKS-SFHVURJKSA-N 380.488 3.948 0 40 GHAB C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 40104583 ZUOCTNLGAFMCPS-MRXNPFEDSA-N 381.476 3.771 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cn(-c2ccc3c(c2)OCCO3)nn1 31872646 YMOHKWTVIKSBIY-UHFFFAOYSA-N 391.214 3.598 0 40 GHAB C[C@@H](NC(=S)NC(=O)c1ccccc1Br)[C@H]1C[C@H]2CC[C@H]1C2 102193929 XZKFLFIUMSFQCP-OWTLIXCDSA-N 381.339 3.878 0 40 GHAB C[C@@H](C(=O)NC1CCCCCC1)S(=O)(=O)Cc1ccccc1C(F)(F)F 32796762 LCRHEJSCNDUKCZ-ZDUSSCGKSA-N 391.455 3.848 0 40 GHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CCc2nc3ccccc3s2)c1 2628486 ZFYIQYQLMFDEGN-UHFFFAOYSA-N 381.501 3.943 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccncc2)cc1 905130 YHBFWVNWBCSMIL-UHFFFAOYSA-N 381.505 3.645 0 40 GHAB CC[C@@H](C)N(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1ccncc1 1365723 SGRDDAZIWFPEJR-CJNGLKHVSA-N 385.430 3.761 0 40 GHAB CC[C@H]1[C@@H](OC(=O)CC(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 1641781 LGCQVJSQUJNJEC-GMAHTHKFSA-N 379.500 3.729 0 40 GHAB Cc1cc(NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)ccc1N(C)C 79105262 GEQHAUSBUNDRGI-OAQYLSRUSA-N 390.528 3.876 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(Cl)c2)cc1 2711811 YFEJDZHASAALKL-UHFFFAOYSA-N 380.922 3.942 0 40 GHAB Cc1ccc(C(=O)O)cc1NC(=O)[C@H](C)Cn1nc(C)c(Br)c1C 2794620 ZIJTVOIYDHETTD-SNVBAGLBSA-N 394.269 3.544 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)COc1ccc(Cl)cc1Cl 3314039 GEZJWPKVSUCNQB-LBPRGKRZSA-N 394.254 3.893 0 40 GHAB O=c1c(Br)c(N2CCc3ccccc3C2)cnn1-c1ccccc1 2886948 BFCOXGWMWQNDRK-UHFFFAOYSA-N 382.261 3.558 0 40 GHAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(I)cc1 4667087 VKMYBXZPROPSCT-UHFFFAOYSA-N 395.306 3.784 0 40 GHAB CCCCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 6654170 VGMBVPDCKGMASD-AWEZNQCLSA-N 394.924 3.988 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@H]1c1ccc2c(c1)OCCO2 7309526 LWECJOKIHFKZDJ-HNNXBMFYSA-N 397.855 3.776 0 40 GHAB COc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1I 676640 VPIFYHAISHVXCG-UHFFFAOYSA-N 396.180 3.722 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F 42046475 TZIUUUKQLBUQNI-PWSUYJOCSA-N 382.844 3.874 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1 8416072 SNLWRZWQFIRKBP-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)cc2)c(C)c1 22516818 BMTPCVYDVMZQNE-GOSISDBHSA-N 390.480 3.543 0 40 GHAB COC(=O)c1csc(-n2nc3c(c2C(F)(F)F)COc2ccccc2-3)n1 25185980 VCGAEYNFQHVTFD-UHFFFAOYSA-N 381.335 3.694 0 40 GHAB COc1cccc(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)c1OC 25536239 HCRDISAWKCVVPT-FQEVSTJZSA-N 382.504 3.517 0 40 GHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)C1CC1 12604697 ADSMQQYEZOCVJE-UHFFFAOYSA-N 384.379 3.855 0 40 GHAB O=C(CCc1nc(-c2cc(Br)cs2)no1)Nc1ccc(O)cc1 57560432 MRTXYMNXHFSPDJ-UHFFFAOYSA-N 394.250 3.838 0 40 GHAB CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)CC(=O)N32)cc1 2093523 WQYIDPVTSLAUDR-NZQKXSOJSA-N 387.483 3.606 0 40 GHAB biogenic O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1 12787490 JUWCLXDOHFBGAQ-UHFFFAOYSA-N 389.807 3.744 0 40 GHAB Cc1ccc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(C)c1 12777084 IJWGSAMONWCPIM-UHFFFAOYSA-N 382.407 3.568 0 40 GHAB C[C@H](NC(=O)[C@@]1(C)CC1(Br)Br)[C@@H]1C[C@H]2CC[C@H]1C2 102619869 NAIUYHATLLRLEU-CCJOIDDDSA-N 379.136 3.823 0 40 GHAB COc1ccc(CN2CCN(C(=O)NCc3cccc(Cl)c3)CC2)cc1F 12750399 JGCJDGYMQLRHCT-UHFFFAOYSA-N 391.874 3.515 0 40 GHAB Cc1ccc(Cc2cnc(NC(=O)CNC(=O)c3ccc(C)cc3)s2)cc1 12771466 WGDWYXZNRAKESG-UHFFFAOYSA-N 379.485 3.719 0 40 GHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 58403812 DGOSVEQDOGKSKS-UHFFFAOYSA-N 378.331 3.791 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 48326288 RBAPPXIFMHNIBA-MRXNPFEDSA-N 378.476 3.984 0 40 GHAB O=C(CNC(=O)c1ccc2ccccc2c1)NCCc1ccc(OC(F)F)cc1 12845403 TZWSZIHUTOVCBS-UHFFFAOYSA-N 398.409 3.530 0 40 GHAB Cc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1C 408673335 RDZCSELZJKQOPH-LVNJIZSUSA-N 386.451 3.867 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)cc1 11552104 ZUUGLNREPATKST-LPHOPBHVSA-N 388.508 3.586 0 40 GHAB COc1cc(-c2noc(-c3c[nH]c4ccc(C)cc4c3=O)n2)cc(OC)c1OC 20734578 CKORWOPPQQVKGY-UHFFFAOYSA-N 393.399 3.579 0 40 GHAB COc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 8729135 UFOHMRXURLUIQI-INIZCTEOSA-N 397.519 3.890 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)/C=C/c1nc3ccccc3s1)CC2 3448096 VCICVCAOSXMXGS-BQYQJAHWSA-N 380.469 3.912 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1 3447824 JMUBNTCGRGQRRD-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 3472157 FBHCEDAQUBYQBA-UHFFFAOYSA-N 379.412 3.886 0 40 GHAB Nc1nc(CSc2nnc(-c3ccccc3F)o2)nc(Nc2ccccc2)n1 8749021 NKLHWIHVGAWWTJ-UHFFFAOYSA-N 395.423 3.679 0 40 GHAB CC(C)N(C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3)C(C)C 3597595 ADPGRYUWVCDLKK-UHFFFAOYSA-N 393.578 3.611 0 40 GHAB CCOc1ccccc1C(=O)N[C@H](C(=O)NCc1ccc(Cl)cc1)C(C)C 3517744 CMIHNGRBJJDXJC-IBGZPJMESA-N 388.895 3.810 0 40 GHAB C[C@@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 12981030 XAZFQMIBQPIPPL-DNVCBOLYSA-N 384.451 3.611 0 40 GHAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 12934550 XOKYDZKEYOKQBI-NSHDSACASA-N 379.243 3.994 0 40 GHAB COc1ccccc1[C@H]1CC(=O)N(c2ccc(F)cc2)c2c1sc(=O)n2C 49545445 ITQRJOWTNGZRBM-OAHLLOKOSA-N 384.432 3.795 0 40 GHAB COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(F)c1 6053258 XIDKNIZPOGDTNC-KRWDZBQOSA-N 389.814 3.754 0 40 GHAB CCOc1ccccc1NC(=O)CNc1ccc(I)cc1 5090328 NXNFOCQIEKQIRZ-UHFFFAOYSA-N 396.228 3.741 0 40 GHAB Cc1ccc(C2=NN(C(=O)CSC3=NCCS3)[C@@H](c3ccco3)C2)o1 8935608 QWXLBOPAFJIYQL-CYBMUJFWSA-N 375.475 3.695 0 40 GHAB CCCc1ccc(C(=O)CN2C(=O)N[C@@](CC)(c3ccc(F)cc3)C2=O)cc1 4308431 HRHAYXJOIKBVIM-QFIPXVFZSA-N 382.435 3.818 0 40 GHAB CC[S@@](=O)c1ccccc1C(=O)OCc1cc(=O)oc2cc(C)c(C)cc12 5219221 FBHFFCXNFQOHGM-MHZLTWQESA-N 384.453 3.894 0 40 GHAB COc1ccc(C)cc1COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 5319740 PWOYAKKJDQYWIC-UHFFFAOYSA-N 385.435 3.738 0 40 GHAB Cc1cc2oc(=O)cc(COC(=O)CSCc3c(C)noc3C)c2cc1C 14128539 ACCWDHZNABQWQC-UHFFFAOYSA-N 387.457 3.991 0 40 GHAB CN(C)C(=O)COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 5426975 UCGZIFVUMRDZKJ-UHFFFAOYSA-N 386.498 3.834 0 40 GHAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(Cl)c(OC)c(OC)c1 4799635 VICQJVIYQUXVBF-UHFFFAOYSA-N 378.808 3.925 0 40 GHAB Cc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)cc1 6752753 XHLRKWBOEQUBRN-OPAMFIHVSA-N 389.455 3.815 0 40 GHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(F)ccc1Br 6988642 NMLBHTWAGNXGDX-UHFFFAOYSA-N 377.213 3.967 0 40 GHAB Cc1nc(C(=O)Oc2ccc(F)c3c2C(=O)C[C@H]3C)nn1-c1ccc(F)cc1 15200443 CWKTUJCUIKMCHU-SNVBAGLBSA-N 383.354 3.763 0 40 GHAB CCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)s1 9224798 OUDOBZHGXUGNFL-NSHDSACASA-N 378.885 3.759 0 40 GHAB COc1cc(CNC(=O)CN2c3ccccc3CC[C@H]2C)ccc1OC(F)F 7217839 CANMRWBJXYZJEY-CQSZACIVSA-N 390.430 3.754 0 40 GHAB COc1ccc(CCC(=O)NCC2(c3ccc(C)cc3)CCOCC2)cc1OC 68169095 KXWDAMRMFZCTJM-UHFFFAOYSA-N 397.515 3.809 0 40 GHAB Cc1cc(C(=O)OCC(=O)N(Cc2ccccc2F)C2CC2)c(C)n1C1CC1 16047100 AUTHPLMRARKUFY-UHFFFAOYSA-N 384.451 3.927 0 40 GHAB CSCC[C@H](NC(=O)c1ccc(-n2cccn2)cc1)c1nc2ccccc2[nH]1 7718770 RIFHOFLXBHXHOK-IBGZPJMESA-N 391.500 3.973 0 40 GHAB Cc1ccccc1-c1noc(Cn2ccn3nc(-c4cccs4)cc3c2=O)n1 16842786 RAOXFMWAYDMGIV-UHFFFAOYSA-N 389.440 3.631 0 40 GHAB CC(=O)c1ccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 8310387 KGMRTDKWCMUSKH-FQEVSTJZSA-N 394.471 3.826 0 40 GHAB CCCn1c(=O)n(CC(=O)OCc2nc3ccccc3s2)c2ccccc21 17246149 RGPSVBCCUGUJSQ-UHFFFAOYSA-N 381.457 3.566 0 40 GHAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 18147325 MCIYOZCSZTZVNE-CQSZACIVSA-N 378.266 3.720 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 71925891 NOLMXTQOKLFZRU-NQIIRXRSSA-N 384.520 3.930 0 40 GHAB O=C(Nc1cccc(F)c1)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409144951 ORHXLKFFYAVVDD-UHFFFAOYSA-N 384.392 3.733 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 72293466 RVDTWLDPLXSBGC-CYBMUJFWSA-N 375.494 3.512 0 40 GHAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc2ccccc2oc1=O 84594784 LDRNKTXXTCYTIY-UHFFFAOYSA-N 378.359 3.560 0 40 GHAB C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NCc1ccco1 95441032 NGRGZJJYVURWTA-BLLLJJGKSA-N 379.254 3.714 0 40 GHAB COc1ccc(C2=CCN(C(=O)[C@@H](c3ccccc3)N3CCSCC3)C2)cc1 95456658 USQYRISLUIUMMD-JOCHJYFZSA-N 394.540 3.711 0 40 GHAB Cc1c(Br)ccc(NC(=O)Cn2c(=O)oc3ccccc32)c1C 408598725 ACYPXCHOAADTHI-UHFFFAOYSA-N 375.222 3.613 0 40 GHAB CCOC(=O)CCc1c(C)n(Cc2ccccc2)c2nc3ccccc3n2c1=O 9939299 OUYZJGRIQZBUPL-UHFFFAOYSA-N 389.455 3.502 0 40 GHAB CC(C)Cn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccncc1 409101561 YGXMZRCWDHWTFV-HZPDHXFCSA-N 387.553 3.878 0 40 GHAB Cc1noc(C)c1CNC(=O)CC1(CN2Cc3ccccc3C2=O)CCCCC1 1548349765 XKKCEZCAGPWLMW-UHFFFAOYSA-N 395.503 3.904 0 40 GHAB COc1ccc(SCC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1OC 20105957 SHDITTPZVOBSSI-UHFFFAOYSA-N 397.500 3.606 0 40 GHAB Cc1nc(CN2CCN(C(=O)/C=C/c3c(F)cccc3Cl)CC2)cs1 32332908 MKUVPRYXFJLPHV-AATRIKPKSA-N 379.888 3.602 0 40 GHAB CC(=O)N1CCc2cc(-c3nc(NC(=O)c4ccncc4)sc3C)ccc21 35313291 CLGWNLUBEFAEIP-UHFFFAOYSA-N 378.457 3.675 0 40 GHAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3ccccn3)C2)cc1 72345975 SXUDYMCSZFIBKP-KRWDZBQOSA-N 375.476 3.509 0 40 GHAB Cc1ccc(OCCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1C 32769171 VUMPUOWSWRLGKY-NRFANRHFSA-N 381.451 3.851 0 40 GHAB CC[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C)c(C)c1 219139743 NINKNGZTDACOEU-FQEVSTJZSA-N 378.472 3.947 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)nc1)[C@H]1CCCN(C(=O)c2ccccc2)C1 520870613 AFBBXENBMAYTNM-IBGZPJMESA-N 392.503 3.563 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccc(C)cc2)cc1 41157139 YYGOHFKZPFDZNP-LJQANCHMSA-N 386.517 3.884 0 40 GHAB COc1ccccc1N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O 224738855 FUDXNNMKVZXLGD-UHFFFAOYSA-N 398.569 3.572 0 40 GHAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)c1 44880888 WZVSAOLVQCDVLB-ZDUSSCGKSA-N 389.473 4.000 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 224209796 RVTUXLHUPAQXOE-QFIPXVFZSA-N 396.531 3.934 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 223755102 UUWQDOHZMSSIIA-KRWDZBQOSA-N 382.479 3.844 0 40 GHAB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)Nc1ccccc1 136522672 NZTPHFUZRVXKBV-IDPBPBMLSA-N 377.440 3.714 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(Cl)c1 222581765 IVADGLBRGLJPHO-CYBMUJFWSA-N 395.286 3.536 0 40 GHAB NC(=O)c1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 226317796 JQKASUCEMBSRLY-UHFFFAOYSA-N 398.587 3.852 0 40 GHAB COC(=O)c1cc(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)ccc1C 224775767 ALCNIHHRGTVPCH-UHFFFAOYSA-N 389.517 3.816 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)c1 220125274 RWVXSJZFBIBBJG-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB Cc1cccc(NC(=S)c2c(N)nc(N3c4ccccc4C[C@@H]3C)[nH]c2=O)c1 40385617 GFOSSJAMHFVBDZ-ZDUSSCGKSA-N 391.500 3.531 0 40 GHAB Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(Br)c2)cc1 226243583 IBIYRRVIAUKXOE-UHFFFAOYSA-N 379.279 3.898 0 40 GHAB COc1ccc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 225708630 QFKWRSFIGFJKMN-UHFFFAOYSA-N 375.837 3.885 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 224552362 FUPMPAIPLVPQJU-JOCHJYFZSA-N 396.531 3.953 0 40 GHAB O=C(c1cnc(-c2ccc(Cl)cc2)nc1)N1CCN(c2ccc(F)cc2)CC1 222607404 CHYBBAOPEBMCRN-UHFFFAOYSA-N 396.853 3.899 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2cccc3ccccc23)cc1Cl 223530458 FOTBUFFGMAUVLU-UHFFFAOYSA-N 391.876 3.859 0 40 GHAB CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCCOC 223053866 YLAQZOXLBVDTFU-QFIPXVFZSA-N 396.531 3.579 0 40 GHAB CCc1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1OC 224894059 MATHZPDYCKKLPG-UHFFFAOYSA-N 375.368 3.957 0 40 GHAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccccc3F)CC2)c2ccccc21 96242039 AXSFDOIKSYRUQI-QGZVFWFLSA-N 394.490 3.965 0 40 GHAB C[C@@H]1c2c(F)cccc2CCN1C(=O)c1cnc(OCc2ccccc2)cn1 578107192 CUPKRWXUDFZJAN-OAHLLOKOSA-N 377.419 3.954 0 40 GHAB COc1ccc([C@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)c(OC)c1OC 95117710 MHJQHFCQANVFGH-CQSZACIVSA-N 378.428 3.811 0 40 GHAB CC(C)n1ccc(CS(=O)(=O)Cc2ccc(OCc3ccccc3)nc2)n1 583035803 XLCQXFNZHOMYLD-UHFFFAOYSA-N 385.489 3.553 0 40 GHAB C[C@H](NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1)[C@H]1CCCO1 245240378 PPELJGSARQLMGI-ATZCPNFKSA-N 379.810 3.677 0 40 GHAB Cc1ccnc(CNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c1 585085886 JTVKIUJFSFTUBB-UHFFFAOYSA-N 380.897 3.701 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2csc(C)c2)CC1 257323213 WJENJPNNEFVCNO-ZWOKBUDYSA-N 385.533 3.865 0 40 GHAB Cc1ccc(NC(=O)CN2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cc1F 257250866 JOJIGIRZWXAIQF-GMAHTHKFSA-N 398.478 3.523 0 40 GHAB CCc1cc(CNC(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2cccc(Cl)c2)on1 257308550 TXEBZLKWQXNCHU-MJGOQNOKSA-N 389.883 3.506 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCCCCC2)cc(N2CCC[C@H](C)C2)n1 260735493 JFGYUVSZAMVMDZ-INIZCTEOSA-N 390.601 3.788 0 40 GHAB Cc1nc(-c2ccco2)sc1C(=O)Nc1ccccc1-c1ccc(=O)[nH]n1 90614076 QJSOPPKNKIUSLW-UHFFFAOYSA-N 378.413 3.714 0 40 GHAB O=C(CCc1ccccc1F)NCC1CCN(C(=O)Oc2ccccc2)CC1 96120380 YBNJDOQTZZMUID-UHFFFAOYSA-N 384.451 3.786 0 40 GHAB CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 585286871 JRLQAAIYCDRRCA-SFGWALBWSA-N 379.516 3.873 0 40 GHAB O=C(OCC(=O)N1CCc2ccccc21)c1cccnc1Sc1ccccc1 89847865 GRVAXYJKPILBOT-UHFFFAOYSA-N 390.464 3.979 0 40 GHAB Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1C 12293533 VDORHKNLOZMKFB-RTWAWAEBSA-N 385.479 3.827 0 40 GHAB COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 12329905 ZLQGCNQIYZJAPZ-FGZHOGPDSA-N 397.515 3.696 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccccc2F)c1 12613283 FRJFYXCJOASWAE-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB COc1ccccc1CN1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12728337 IXHDIXVPEJQFNT-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB CCOc1cc(NC(=S)NC)c(OCC)cc1NC(=O)c1cccs1 13555798 XRCFACXIEZDVBD-UHFFFAOYSA-N 379.507 3.714 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1OC 13581362 PDYBIKSNAGTOAO-UHFFFAOYSA-N 390.505 3.595 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)NCCCCCCNC(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 19075031 ZGNMFAMKAOVBEO-LWYYNNOASA-N 394.604 3.922 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)o1 19559335 IBDKPOKCZVYMBQ-OWYVNGRQSA-N 397.401 3.773 0 40 GHAB COc1ccccc1C1(O)CCN(Cc2ccccc2OC[C@@H]2CCCO2)CC1 19569271 PLIRRXOSIRCJET-FQEVSTJZSA-N 397.515 3.737 0 40 GHAB CCCc1cc(C(=O)N2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)no1 19704726 KPQJRIRYVQEBFA-AWEZNQCLSA-N 398.438 3.698 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN([C@@H]2CCSC2)CC1 225571220 YHXUDOTVQSJOAE-QGZVFWFLSA-N 396.984 3.831 0 40 GHAB COc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2cccc(C)c2)CN3C(C)=O)c1 19235220 JYZZBBSICYMYEP-HJOGWXRNSA-N 378.516 3.840 0 40 GHAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NC3=NCCS3)cc12 9385493 VFRDBJSPLFEGQB-UHFFFAOYSA-N 390.921 3.941 0 40 GHAB O=c1c2ccsc2ncn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 24830735 IFNHDCGOIDKECQ-UHFFFAOYSA-N 378.335 3.575 0 40 GHAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)c1ccc(F)c(Cl)c1 244975286 IJVRZLDCHQHBKU-UHFFFAOYSA-N 387.827 3.575 0 40 GHAB Cc1cccc(-c2nc3scc(CCNC(=O)Cc4ccc(F)cc4)n3n2)c1 4374755 UVIUIZSJVQWODS-UHFFFAOYSA-N 394.475 3.807 0 40 GHAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc21 5099470 MEIXLNHJBGRNOR-UHFFFAOYSA-N 390.439 3.981 0 40 GHAB O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 22506293 OXKREOHLFVIJLD-UHFFFAOYSA-N 383.832 3.663 0 40 GHAB C[C@@H](O)Cn1c(SCc2c(F)cccc2Cl)nc2ccsc2c1=O 206597023 CFSJGJMBQBCYQH-SECBINFHSA-N 384.885 3.924 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225687482 PXHONLXVYZZRAL-HXUWFJFHSA-N 388.433 3.907 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CC[C@H](Oc2ccncc2Cl)C1 575610214 FEEQWFIGXBODCK-AWEZNQCLSA-N 386.814 3.558 0 40 GHAB COc1ccc(Br)cc1CN1CCC(Oc2ncc(C)cn2)CC1 653800690 RKZSNHXQGMUSOW-UHFFFAOYSA-N 392.297 3.600 0 40 GHAB COc1ccccc1N1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1 4134962 WYQIHUPIIFFBOF-UHFFFAOYSA-N 393.459 3.816 0 40 GHAB COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2ccccc23)cc1 9044944 HXEBBNTUZKJLOZ-NVVBAYIOSA-N 393.487 3.506 0 40 GHAB biogenic Cc1cccc(OCCn2c(SCC(=O)NC3CC3)nc3ccccc32)c1 30954899 CFXPAXDLKQXHDH-UHFFFAOYSA-N 381.501 3.794 0 40 GHAB C[C@@H](NC(=O)c1cn(-c2cccc(Br)c2)nn1)c1ccccc1F 40073683 RSGZDYUBRJEQOT-LLVKDONJSA-N 389.228 3.660 0 40 GHAB Cc1ccccc1-c1nnc(S[C@H](C)c2nnnn2-c2ccccc2)n1C 40127487 JSYDCEPUNHZKBX-CQSZACIVSA-N 377.477 3.620 0 40 GHAB O=C(Oc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 102083375 PFWBGXFUCLCCQU-OYUDYFSCSA-N 393.826 3.871 0 40 GHAB CCCCc1ccc([C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)c2cccs2)cc1 32768938 KZCHEECMKMMLQW-PKOBYXMFSA-N 391.558 3.731 0 40 GHAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)c1 2616675 UGWVANWZTSXTIO-GFCCVEGCSA-N 383.429 3.893 0 40 GHAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)NCCCOC)C12CCCCC2 70666665 LRCZQWFTWFLRIR-PXNSSMCTSA-N 386.536 3.880 0 40 GHAB biogenic COC(=O)CSc1nnc(-c2ccccc2OC)n1-c1cccc(Cl)c1 882818 OYOQBYMOBGLQMM-UHFFFAOYSA-N 389.864 3.861 0 40 GHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccs1 1035998 QIUONJIRMWAAMJ-UHFFFAOYSA-N 376.478 3.634 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C[C@@H]2CCCO2)cc1 1364309 BQQGNRJLJFMZHX-INIZCTEOSA-N 399.472 3.701 0 40 GHAB Cc1ccc(C(=O)N2CCN(c3nc(C)nc4sc(C)c(C)c34)CC2)cc1 1377222 ALOFPNDWFIZEJS-UHFFFAOYSA-N 380.517 3.887 0 40 GHAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)c2ccc3c(c2)OCCO3)C1 78480276 LJXAQNWOTFJUIR-HDICACEKSA-N 394.515 3.866 0 40 GHAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 32912989 XQTALZRSAUOMGK-ZDUSSCGKSA-N 387.402 3.698 0 40 GHAB CSc1nccc(O[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)n1 3124355 VSFBZUBSTYDKLK-LBPRGKRZSA-N 392.695 3.704 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3174972 AZWRLNCBUHUHQQ-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB CCOC(=O)c1sc(N[C@@H]2OC(=O)c3ccccc32)c(C(=O)OCC)c1C 4384833 ZTHRZXDREFFEMP-OAHLLOKOSA-N 389.429 3.691 0 40 GHAB CCn1c(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1C1CC1 6934841 VESCQXHJLTUOAH-JTQLQIEISA-N 375.523 3.944 0 40 GHAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc2[nH]c(=O)[nH]c2c1 7813753 QQAYZKSOHUKALS-UHFFFAOYSA-N 398.846 3.748 0 40 GHAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)/C=C/c1nc2ccccc2s1 7981147 KTWPXUNYXAWDAA-AYJWMTRPSA-N 380.469 3.998 0 40 GHAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)ccc2C)c1 8414883 AQCNFBOLABZYJC-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(Cc2ccco2)CC1 22930666 GRBCSPXXIJYMDJ-ZDUSSCGKSA-N 382.291 3.731 0 40 GHAB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)CC1 804939 JYSDQMXNTUPGMI-UHFFFAOYSA-N 395.503 3.785 0 40 GHAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1 876821 SZEQWTJQFLPAGZ-LWVPEANGSA-N 378.428 3.588 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)C(C)(C)C)c3)o2)cc1 9062247 VXTJCKWOVZAALP-UHFFFAOYSA-N 394.431 3.982 0 40 GHAB C[C@H](NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccccc1 3006290 BMRSXHXOMHQGPN-HNNXBMFYSA-N 381.863 3.831 0 40 GHAB Cc1csc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)n1 9686232 AVXYQGGLURHDBU-UHFFFAOYSA-N 385.518 3.825 0 40 GHAB COc1cc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc(OC)c1OC 1018219 YDQGXXNEBYANBK-UHFFFAOYSA-N 382.445 3.854 0 40 GHAB O=C(NC1C2CC3CC(C2)CC1C3)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 103150745 GANIKCINJQMYPH-WQMCECQISA-N 380.536 3.515 0 40 GHAB O=C(NCc1cccnc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3133283 HAQGAFIQRTWSEA-UHFFFAOYSA-N 380.757 3.870 0 40 GHAB Cc1cn([C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)n1 24777366 VKZMYLHJQAZKSV-ZDUSSCGKSA-N 396.413 3.555 0 40 GHAB CC(C)(C)C1=C[C@]2(C(C)(C)C)[C@@H]3C=C[C@@H]3[C@@H]1n1c(=O)n(-c3ccccc3)c(=O)n12 104293648 NTWZKDXZDZYCLR-VWFBZHOWSA-N 391.515 3.885 0 40 GHAB CCc1ccccc1NC(=O)Cn1nnc2sc(-c3ccccc3)cc2c1=O 1320989 BYOQCXFBFSAUBU-UHFFFAOYSA-N 390.468 3.721 0 40 GHAB Cc1cc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c2ccccc2n1 55408860 QPWNHSHQKYEJQP-UHFFFAOYSA-N 394.519 3.780 0 40 GHAB CN(C)c1nnnn1-c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl 1401581 ZHFNXELQCHWETI-UHFFFAOYSA-N 384.749 3.588 0 40 GHAB COc1ccc(OC[C@@H](O)CN(C)Cc2c(C(C)C)[nH]c3ncccc23)cc1 57762053 QRMFOXCNQJVINU-INIZCTEOSA-N 383.492 3.567 0 40 GHAB C[C@@H](Oc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)c1ccccc1 102593063 RZWDZOBCJKFJNC-XHXDDVKMSA-N 387.435 3.648 0 40 GHAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)N1CCCc2ccccc21 57507896 KZVBTTFIQMXNLA-UHFFFAOYSA-N 375.453 3.591 0 40 GHAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CSc2cccc[n+]2[O-])n1 108817209 ZDQODBZALNRXQU-UHFFFAOYSA-N 396.497 3.964 0 40 GHAB Cc1c(C(=O)OCC(=O)NC(=O)NC2CCCC2)oc2c1ccc1ccccc12 3360354 CDMPLKXBNAQRHM-UHFFFAOYSA-N 394.427 3.820 0 40 GHAB Cc1cccc(NC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 10464625 MVQXPZNHPRWGFI-UHFFFAOYSA-N 380.444 3.893 0 40 GHAB CCOc1ccccc1-c1nn2c(COc3ccc(OC)cc3)nnc2s1 10312298 YFLYAAVMUSXZMZ-UHFFFAOYSA-N 382.445 3.839 0 40 GHAB COc1ccc([C@@H](C)OC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1F 10569145 BYYXSXGLLCKRQK-SNVBAGLBSA-N 388.363 3.749 0 40 GHAB COC[C@H](C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2266270 RAPGVOYUGAJSFH-ZDUSSCGKSA-N 382.464 3.864 0 40 GHAB CC(C)Cn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 2287048 LGWQLRAXFDLZBD-UHFFFAOYSA-N 380.473 3.656 0 40 GHAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cn2cncn2)cc1 58500631 KFXLFEBGFJKVRA-UHFFFAOYSA-N 389.381 3.664 0 40 GHAB COc1cc2c(cc1OC)-c1cc(Oc3ccc(C)c(C)c3)nc(=O)n1CC2 2324571 AYUBAFNMHKYWAE-UHFFFAOYSA-N 378.428 3.893 0 40 GHAB biogenic CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1ccc(OC)c(OC)c1 2345603 FQGCMJCWZUHEQT-UHFFFAOYSA-N 398.415 3.623 0 40 GHAB COc1cc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)cc(OC)c1 12814037 RQNHVCOKAXRWNB-CYBMUJFWSA-N 385.489 3.945 0 40 GHAB O=C(c1ccc(Br)o1)N1CCc2n[nH]c(-c3ccc(F)cc3)c2C1 8739132 NXKJYJYHSSRWCC-UHFFFAOYSA-N 390.212 3.770 0 40 GHAB Cc1sc2ncn(C[C@@H](O)CO[C@@H](C)c3ccc(Cl)cc3)c(=O)c2c1C 29333179 FRSIHCGMWFJONV-BLLLJJGKSA-N 392.908 3.867 0 40 GHAB Fc1ccc(CSc2nnc3c4cnn(-c5ccccc5)c4ncn23)cc1 2510526 GKTHSTCXVLOBGP-UHFFFAOYSA-N 376.420 3.895 0 40 GHAB CC(C)c1cccc(C(=O)N2CCO[C@]3(CCCC[C@H]3N3CCCC3)C2)c1O 306124317 BMOWRXCBCTWGEJ-NFBKMPQASA-N 386.536 3.765 0 40 GHAB COc1ccccc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12972445 DGZGMYUIPBXHJN-YLSHDAJPSA-N 382.504 3.841 0 40 GHAB O=C(O)c1ccccc1SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12937334 NLYKDMGOLKZZAZ-INIZCTEOSA-N 399.468 3.612 0 40 GHAB O=C(NCc1cccs1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 38487510 RHSLOPHBLFCSGK-UHFFFAOYSA-N 395.875 3.974 0 40 GHAB COc1ccc(/C=C/C(=O)NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1 3999731 JNYMMOPGOZCHNE-VSRDTVRMSA-N 381.501 3.732 0 40 GHAB biogenic COC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1cccc(Cl)c1Cl 8843505 YYHJVYLWEGKTIA-LBPRGKRZSA-N 385.276 3.769 0 40 GHAB O=c1c2cc(Br)ccc2ncn1CCOc1ccc(Cl)cc1 6112427 RHHXYUQXJYQSQG-UHFFFAOYSA-N 379.641 3.891 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)N(C)Cc3cccs3)c(Cl)cc12 6365681 IQXAWKRHYAIGIY-UHFFFAOYSA-N 377.849 3.854 0 40 GHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1 65621632 BIMPPBRMARZGCD-WEMREZNISA-N 380.488 3.936 0 40 GHAB CC(C)CCOC(=O)c1ccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1 4539898 KEDRVOABKAKYGY-HSZRJFAPSA-N 395.455 4.000 0 40 GHAB C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 5529851 MJDYUFYIOGAURV-WMNUSELNSA-N 385.504 3.771 0 40 GHAB biogenic NS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)ccc1Cl 6949433 QRFIEZKQRIOBJP-UHFFFAOYSA-N 386.860 3.907 0 40 GHAB O=C(Cn1cnc2sccc2c1=O)N(Cc1ccc(F)cc1)C1CCCCC1 7086298 QPTZLOWVMGQVCG-UHFFFAOYSA-N 399.491 3.959 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)Cc2coc3cc(OC)ccc23)CC1 7107235 QAAVNUSXJTUCSL-UHFFFAOYSA-N 393.487 3.765 0 40 GHAB Cc1cccc(N(Cc2ccccc2)C(=O)Cn2ncc(=O)c3ccccc32)c1 7245488 VVNVTPLEHJHLRC-UHFFFAOYSA-N 383.451 3.938 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1C 7616864 HFKISZCGPUJCHG-UHFFFAOYSA-N 395.488 3.798 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)[C@@H]1CC=CCC1 7987571 UBAQCWRJQITYNF-MRXNPFEDSA-N 378.428 3.640 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(C)ccc3C)ccc21 64947119 DDNJOCGMYLJMGS-UHFFFAOYSA-N 376.503 3.891 0 40 GHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N[C@@H]1CCSc2ccccc21 7988047 LQZAHHFLOHGWPE-LJQANCHMSA-N 393.512 3.757 0 40 GHAB O=C(Cn1cnc2cc(F)ccc2c1=O)Nc1ccc(N2CCCCCC2)cc1 8165636 NEMQIZLTUSSGIS-UHFFFAOYSA-N 394.450 3.555 0 40 GHAB CCCOc1cc(S(=O)(=O)NCc2cccs2)ccc1Br 8132951 ABZKMNWKUKYQHQ-UHFFFAOYSA-N 390.324 3.778 0 40 GHAB Cc1ccccc1OCc1nnc(S[C@@H]2C[C@@H](C)OC2=O)n1-c1ccccc1 8191290 WTNVIXQJLWQSOW-CRAIPNDOSA-N 395.484 3.951 0 40 GHAB O=C(Cn1nnc(-c2ccccc2)n1)N1c2ccccc2OC[C@H]1c1ccccc1 8266937 UUBNLPHQQPKWNN-FQEVSTJZSA-N 397.438 3.507 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 22514406 NQZUYJXNYCSQRI-AWEZNQCLSA-N 399.443 3.789 0 40 GHAB CC(C)c1ccc(C2(C(=O)NCc3ccc(-n4cncn4)nc3)CCC2)cc1 69513248 CVBIPJSHXREWGP-UHFFFAOYSA-N 375.476 3.524 0 40 GHAB CC(C)c1cc(C(=O)NCc2nc3ccccc3n2C)c2cnn(C(C)C)c2n1 9466446 ZOZBKLBECKCTJE-UHFFFAOYSA-N 390.491 3.952 0 40 GHAB Cc1cc(CS(=O)(=O)Nc2ccccc2CN(C)C2CCCCC2)on1 72301847 DRVZHBKBLKOINS-UHFFFAOYSA-N 377.510 3.689 0 40 GHAB CC(=O)c1c(F)cccc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 83815621 MRXYRAUDYDDONT-CYBMUJFWSA-N 375.831 3.932 0 40 GHAB CC(C)Oc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(O)n1 9669217 WBODNNKEFDGGHW-UHFFFAOYSA-N 396.472 3.762 0 40 GHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nnc3n2CCCC3)cc1 66802923 FRFRNHFOUIUWQK-UHFFFAOYSA-N 382.851 3.952 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1 408708918 VKAOITMFIHLWHP-IBGZPJMESA-N 380.488 3.878 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)no2)c(C)c1 507996357 CLDJDPFYXVYHLX-QGZVFWFLSA-N 398.488 3.583 0 40 GHAB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C(=O)O)C(C)C)c(C)c3cc2c1C 11867578 SNAUNXIYCDCMTF-HXUWFJFHSA-N 399.443 3.622 0 40 GHAB biogenic COC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 39767859 CPOONERFZVHUMN-UHFFFAOYSA-N 386.879 3.977 0 40 GHAB CN(C(=O)CN1CCC[C@@H]1c1cccc(Nc2cnccn2)n1)C1CCCCC1 72375153 SOTMNWCERXMFKT-LJQANCHMSA-N 394.523 3.543 0 40 GHAB COc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 35289077 JMNVNRXYVDAIEC-UHFFFAOYSA-N 387.867 3.775 0 40 GHAB Cc1cccc(N2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)c1C 32978628 OTALOVFXHKOTCC-UHFFFAOYSA-N 378.516 3.700 0 40 GHAB O=C(Nc1cccc(F)c1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955269 XRQLEFVGSMWDPE-UHFFFAOYSA-N 380.423 3.726 0 40 GHAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCc2ccccc2C1 35828575 LMNRGGVWDQLWKF-UHFFFAOYSA-N 397.862 3.605 0 40 GHAB CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)CC(C)C)C1 72395967 UGDRQFJOUPBAGY-HSZRJFAPSA-N 397.519 3.675 0 40 GHAB O=C(Cc1ccc(F)c(F)c1)Nc1nc2c(s1)CC1(CCOCC1)CC2 565406311 XLXSBKPBPRWXHY-UHFFFAOYSA-N 378.444 3.888 0 40 GHAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)c(Cl)c1 79188696 KIKZSKMYILLQKQ-YJBOKZPZSA-N 386.787 3.608 0 40 GHAB biogenic Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 223753702 LOWOEARVAKJKGK-LJQANCHMSA-N 394.515 3.850 0 40 GHAB Cc1cccc(CN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224173798 MHKQXYMHWKHPOQ-SFHVURJKSA-N 384.495 3.866 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220470191 PPRLRANBTVQTAY-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB CN(c1ccc(C(=O)NC2CCCC2)c(Cl)c1)S(=O)(=O)c1ccccc1 224227443 CWOZHPCGHPAYMU-UHFFFAOYSA-N 392.908 3.838 0 40 GHAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 225744956 MOFAHEWIMUNCKO-QFIPXVFZSA-N 392.540 3.712 0 40 GHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccc(OC)cc1 222907617 WLXSAAHEULCBMK-INIZCTEOSA-N 386.467 3.668 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 44904414 LHESOSYWZSEDFD-KRWDZBQOSA-N 386.517 3.579 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 223676289 JGGOGSSQLUTFRY-OAHLLOKOSA-N 388.961 3.747 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 45675661 LPTKKPPWUBNJOS-KRWDZBQOSA-N 398.503 3.901 0 40 GHAB Cc1ccc(CNC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)cc1 223071180 UMUMGONFFAMISG-UHFFFAOYSA-N 388.514 3.536 0 40 GHAB CC(C)CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224233548 YFKOLDUTILIINP-UHFFFAOYSA-N 394.924 3.941 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 223150728 IPTFSRVJQJYPMB-SFHVURJKSA-N 376.859 3.575 0 40 GHAB Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cc(-c4ccoc4)[nH]n3)cc2)n1 530883553 ZSZOTKAWKZYKNC-HNNXBMFYSA-N 375.432 3.963 0 40 GHAB CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C)c1ccc(OC)c(C)c1 224742435 VHTMZQYZFUZAGW-KRWDZBQOSA-N 391.489 3.528 0 40 GHAB COc1cccc([C@@]2(C)NC(=S)N(c3ccc(Br)cc3)N2)c1 225345136 ROUWGTRHPJKTED-INIZCTEOSA-N 378.295 3.530 0 40 GHAB CCS(=O)(=O)[C@](Cl)(Br)C(=O)c1ccc(Cl)cc1Cl 96518210 XSHTYMWKPNLZQV-JTQLQIEISA-N 394.501 3.898 0 40 GHAB CN1Cc2c(NC(=O)N3CC[C@H](Oc4ccc(Cl)cc4)C3)cccc2C1=O 580300129 QMCLFMKNJNTJEQ-HNNXBMFYSA-N 385.851 3.611 0 40 GHAB O=C(c1cccnc1)N1CCC[C@H]1c1nnn2cc(Nc3ccccc3)ccc12 96156575 XMPGPBLTJKUUSP-IBGZPJMESA-N 384.443 3.845 0 40 GHAB COc1ccc(-c2noc(-c3cccn3CC(=O)N3CCC(C)CC3)n2)cc1F 98211390 SGFOBSFSFZSIQM-UHFFFAOYSA-N 398.438 3.611 0 40 GHAB CC(=O)N1Cc2ccccc2C[C@@H]1c1nc(-c2cccnc2OC(C)C)no1 585084400 WLYBGTFHJLEMIJ-GOSISDBHSA-N 378.432 3.565 0 40 GHAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cccc(C)n4)C3)o2)c1 257217236 CYEFUDLYQOSSQK-GOSISDBHSA-N 391.471 3.997 0 40 GHAB CC(C)N1CCC(Cc2nccnc2N2C(=O)OC[C@H]2Cc2ccccc2)CC1 257261012 LFKDJVNRVCAVKK-HXUWFJFHSA-N 394.519 3.707 0 40 GHAB CSc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1NC(C)=O 260743689 PCXPKEHDTKMSPV-GFCCVEGCSA-N 376.503 3.507 0 40 GHAB CC1CCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NC(C)C)n2)CC1 260732864 CEWNSYTUQSQOOS-MRXNPFEDSA-N 390.601 3.787 0 40 GHAB O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1ccc(F)cc1F 90504309 LNPMVUDVQGTQRF-UHFFFAOYSA-N 383.398 3.720 0 40 GHAB CC(C)(C)c1ccc(C(=O)N2CCN(c3cc(-n4cccc4)ncn3)CC2)cc1 90607812 YXGHKOPJBFDOGY-UHFFFAOYSA-N 389.503 3.527 0 40 GHAB Cc1cc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)sc1Cl 1655975150 HBQBKIGHKCBIBB-OAHLLOKOSA-N 381.906 3.875 0 40 GHAB O=S(=O)(Nc1cnn(C[C@H]2CCCCO2)c1)c1cc(Cl)ccc1Cl 390829234 XQADCZCQCNEAPO-CYBMUJFWSA-N 390.292 3.560 0 40 GHAB O=C(Oc1ccc(C2SCCS2)cc1)[C@H]1CCCN(c2ncccn2)C1 44577374 CHWONXMJZIGBRI-HNNXBMFYSA-N 387.530 3.777 0 40 GHAB CCCCn1ncc(C(=O)N(C)[C@@H]2CCCN(C(=O)CC(C)(C)C)C2)c1CC 1615610734 GRQPHRYUAUJHDG-QGZVFWFLSA-N 390.572 3.745 0 40 GHAB COc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)Nc2cccc(OC)c2)c1 13562399 SBXLHOXIAJLQSU-YQMDMEMYSA-N 392.455 3.719 0 40 GHAB Cn1c(SCC(=O)NC2CCCC2)nc2c(-c3ccccc3)csc2c1=O 16844870 MSZSFYBMNXMLED-UHFFFAOYSA-N 399.541 3.813 0 40 GHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2Cc1ccccn1 19017546 UKWPEIDIAMNZCA-ZRBLBEILSA-N 381.495 3.980 0 40 GHAB Cc1nccn1CCCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C 19288101 PXZLJMRWRMKTHK-CQOQZXRMSA-N 394.563 3.841 0 40 GHAB COc1ccc2ccccc2c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19358933 ZJTZWWQNHJYTSG-UHFFFAOYSA-N 390.483 3.895 0 40 GHAB Cc1cc(C)n(C[C@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)n1 19573559 XPAQDHBWVKKGED-HNAYVOBHSA-N 391.519 3.673 0 40 GHAB CCOc1ccc(NC(=O)[C@H](C)O)c(NC(=O)c2cc(F)c(F)cc2Cl)c1 1439654 NXOYYYSKNNKDBP-VIFPVBQESA-N 398.793 3.589 0 40 GHAB O=C(O)c1ccc2c(c1)Cc1cccc(c1)CN(C1CCC1)CCOCCO2 643582977 BJLHOXICNQBRGO-UHFFFAOYSA-N 381.472 3.739 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1cccc(CN3CCCC3=O)c1)O[C@H](C)C2 21837615 GBOHHGGFUGXGJP-OAHLLOKOSA-N 394.471 3.783 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037908974 JJKDNELOSPPEMA-FQEVSTJZSA-N 377.843 3.915 0 40 GHAB O=C(CSc1nccn1-c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 2468230 PKFBQMAIUGQMBC-UHFFFAOYSA-N 385.420 3.513 0 40 GHAB Cc1cccc(CC(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)c1 4374839 UKDBLYJQAPULEI-UHFFFAOYSA-N 390.512 3.976 0 40 GHAB Cc1cccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)c1 4341516 YQZYAEJEWZYEQF-UHFFFAOYSA-N 393.447 3.994 0 40 GHAB Cc1[nH]c2ccccc2c1S(=O)(=O)CCNC(=O)Nc1ccccc1Cl 8923936 OVTZABVLXYECBY-UHFFFAOYSA-N 391.880 3.725 0 40 GHAB O=C(CSc1ccc(NC(=O)C2CC2)nn1)Nc1ccccc1C(F)(F)F 13701918 WFJIHVRCIQUVIQ-UHFFFAOYSA-N 396.394 3.575 0 40 GHAB COc1cccc2cc(C(=O)N3CCC[C@]4(C3)OC(=O)c3ccccc34)oc12 211111577 QZHZCFFLCQPBGG-JOCHJYFZSA-N 377.396 3.743 0 40 GHAB Cn1cc([C@@H]2CN(C(=O)Cc3cn(C)c4ccccc34)Cc3ccccc32)cn1 585408901 KTUJQKSPCGWOGS-QFIPXVFZSA-N 384.483 3.629 0 40 GHAB Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](CC(C)C)C(=O)O)c(C)c3cc2c1C 2150291 XIBDKTHWNZRHSZ-QGZVFWFLSA-N 399.443 3.622 0 40 GHAB biogenic O=C(O)C[C@H](c1cccc(Br)c1)c1c(O)c2ccccc2oc1=O 33795588 MBPCTBZECVWPKZ-CYBMUJFWSA-N 389.201 3.868 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1ccc(N2CCOC2=O)cc1)c1ccsc1 40094101 KDNSOFFPFNFUKF-SFHVURJKSA-N 387.505 3.518 0 40 GHAB C[C@H]1CN(Cc2ccc(CNC(=O)CCc3ccccc3F)cc2)C[C@H](C)O1 40087468 IYSVGIYQIQPONC-ROUUACIJSA-N 384.495 3.684 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)c1cn(-c2ccccc2)nc1-c1cccnc1 21292439 UZWUUEKNZLSGJS-UHFFFAOYSA-N 388.456 3.916 0 40 GHAB CCC[C@H](NC(=O)[C@@H](C)Sc1nnc(C(F)(F)F)n1C)c1ccccc1 21335189 BGYVHXJYYXLNAZ-YPMHNXCESA-N 386.443 3.972 0 40 GHAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1c(Cl)cccc1Cl 102400094 OPSFDXRXYDCEFM-TYGXQLQZSA-N 398.286 3.806 0 40 GHAB COc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OCc1ccc(Cl)cc1 807739 GXEOVRJANCPJDZ-WMLDXEAASA-N 379.865 3.716 0 40 GHAB CCc1ccc([C@@H](CNC(=O)/C=C/c2cnn(-c3ccccc3)c2)N(C)C)cc1 29931170 BYRQYNHCXOMIRF-MEWQITQSSA-N 388.515 3.867 0 40 GHAB COc1ccc2[nH]c3nc(SCC(=O)Nc4cccc(C)c4C)nnc3c2c1 908043 UQAVKWHDRSUMQN-UHFFFAOYSA-N 393.472 3.862 0 40 GHAB O=C(NCCC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CCCC1 32994586 DCABGWALOYVDFY-OAQYLSRUSA-N 382.529 3.919 0 40 GHAB COc1ccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1F 2619669 VKPKQENUWHILNZ-UHFFFAOYSA-N 390.414 3.830 0 40 GHAB O=c1[nH]c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2o1 6885143 ZXGQRFKJIBBTPZ-UHFFFAOYSA-N 394.452 3.512 0 40 GHAB Clc1cnn(Cc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)c1 2786966 CHZKXZZGOFQTGC-UHFFFAOYSA-N 396.863 3.986 0 40 GHAB O=c1c2cccnc2nc(SCCOc2ccccc2)n1-c1ccccc1 8705996 COULYEJYOVARNG-UHFFFAOYSA-N 375.453 3.952 0 40 GHAB CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1c(F)cccc1Cl 10544241 IZVBBSIIBSMXNL-AWEZNQCLSA-N 376.925 3.553 0 40 GHAB Cc1ccc(C(=O)NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 10811179 HJFHWESWCFCVLK-UHFFFAOYSA-N 382.847 3.955 0 40 GHAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2)c1 8414850 JFBRRHAXWPEJNQ-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB COCCCNC(=O)c1nc(-c2ccccc2)n(-c2cc(Cl)ccc2C)n1 8476771 QNOMSSIGTSLWKP-UHFFFAOYSA-N 384.867 3.662 0 40 GHAB CCOc1ccc(NC(=O)CN(C)C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1OCC 104730730 XTNYHNVZUVZFCG-ULQDDVLXSA-N 388.508 3.707 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)c(F)c2)NC(=O)N1c1cc(C)on1 24583930 CHIINPJYXIWZSQ-KRWDZBQOSA-N 391.374 3.758 0 40 GHAB NC(=O)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1 57313289 PHZCLPWKVZAFHJ-ACCUITESSA-N 391.452 3.572 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)Cn1cc(Br)ccc1=O 24971801 BRPBMXBYGWORDB-UHFFFAOYSA-N 393.281 3.556 0 40 GHAB COc1ccc(CCN(C)C(=O)c2cccc(Nc3ncccn3)c2)cc1OC 24972074 PGPDUYKOYATMKM-UHFFFAOYSA-N 392.459 3.552 0 40 GHAB COCCN(Cc1ccco1)C(=O)c1ccc(OCc2c(C)noc2C)cc1 25094144 VCJYGAIXMIKAEZ-UHFFFAOYSA-N 384.432 3.752 0 40 GHAB Cc1noc(CSc2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2)n1 25060611 VXQGBQCYBPFDRJ-KRWDZBQOSA-N 381.457 3.924 0 40 GHAB CC[C@@H]1c2ccsc2CCN1C[C@H](O)COc1ccc(C(C)=O)cc1OC 34889305 WKIHARWFHLFMAR-FUHWJXTLSA-N 389.517 3.708 0 40 GHAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2cn3ccccc3n2)c1 12532384 VRLFANCOOABBAS-UHFFFAOYSA-N 384.439 3.825 0 40 GHAB O=C(O)CCCCNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 1795988 DDECZAUPHSJPFN-UHFFFAOYSA-N 383.853 3.666 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)cc1 1924280 IGCAKRHQHQHBBS-UHFFFAOYSA-N 391.456 3.572 0 40 GHAB O=C(CSCC(=O)N[C@H]1CCCC[C@@H]1Cc1ccco1)Nc1ccccc1 59461546 TZRLBMOUNPNAHH-APWZRJJASA-N 386.517 3.869 0 40 GHAB CCCCc1ccc(NC(=O)[C@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)cc1 2096453 WIULVRVOLUTODV-DENIHFKCSA-N 392.455 3.828 0 40 GHAB biogenic CN(C[C@H]1COc2ccccc2O1)C(=O)N[C@@H]1CCSc2c(F)cccc21 83859355 XKKCIOPBGXAORZ-XJKSGUPXSA-N 388.464 3.844 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(N)nc(Cl)c2)C1 58153659 VCOFRQVPXMBQMH-BETUJISGSA-N 386.883 3.688 0 40 GHAB C[C@H](NC(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccc(S(C)(=O)=O)cc1 10289698 QJIKURYFCMOKQQ-KBPBESRZSA-N 386.473 3.958 0 40 GHAB Cc1ccc(SCc2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)cc1 22934629 MHJWURXDRYVAGJ-UHFFFAOYSA-N 397.588 3.655 0 40 GHAB CC(C)S(=O)(=O)CC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 71971292 FKERLQJXQATCLM-UHFFFAOYSA-N 388.514 3.649 0 40 GHAB COc1ccc(C(=O)Nc2nc3cc(Cl)ccc3n2C)c(OC)c1OC 58218923 RUQSKENSZNFYID-UHFFFAOYSA-N 375.812 3.505 0 40 GHAB CC(=O)c1sc2ccccc2c1OC(=O)c1ccc(N2C(=O)CCC2=O)cc1 2281624 DPTFKYMIIHYWHK-UHFFFAOYSA-N 393.420 3.977 0 40 GHAB O=C(NCc1cc2ccccc2[nH]1)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 58903784 JBOOLMQLGVVZRG-OAHLLOKOSA-N 387.892 3.804 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1 48365140 AELCMKHVRCGOAO-UHFFFAOYSA-N 395.484 3.542 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 408678998 HLFYLVIHEHTLBJ-CQSZACIVSA-N 387.432 3.513 0 40 GHAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc(-c3ccc(O)cc3)nc21 2424418 HJRVJBWSZNDLSL-UHFFFAOYSA-N 376.807 3.798 0 40 GHAB COc1ccc([C@@H](NC(=O)N(C)C[C@H]2COc3ccccc3O2)C(C)C)cc1 9867542 ZZUQVFROKGFFLD-RXVVDRJESA-N 384.476 3.874 0 40 GHAB CCCOc1c(Cl)cc(/C=C/C(=O)Nc2cccc(C(N)=O)c2)cc1OC 12882129 IHCCFCGBFJBZIR-BQYQJAHWSA-N 388.851 3.888 0 40 GHAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)[C@H]1CC(c2cccc(F)c2)=NO1 36760350 KEWYFFHIBFFHGB-GOSISDBHSA-N 398.825 3.856 0 40 GHAB CCc1ccc2c(CC(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)coc2c1 12817961 GLJTTWZAKJZCKK-UHFFFAOYSA-N 398.484 3.617 0 40 GHAB O=C(CCCNC(=O)c1ccc(Cl)cc1)OCC(=O)c1c[nH]c2ccccc12 3416715 QJPJUCFXBPJVBP-UHFFFAOYSA-N 398.846 3.757 0 40 GHAB O=C(Nc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCCCC2)c1 3483293 OOBGTPLYWHQYJO-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB COc1ccc(CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)cc1F 3516693 CRVRVNVPSCKDDA-QFIPXVFZSA-N 378.403 3.955 0 40 GHAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C(F)(F)F 12995721 QZNVRPKBPFBNPG-UHFFFAOYSA-N 398.406 3.707 0 40 GHAB CCOC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(OC)cc2)C1 29922720 UZKBUMYMHUHCKK-KRWDZBQOSA-N 393.487 3.809 0 40 GHAB CCN(CC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1cc(Cl)ccc1C 13038755 UQHXTSYLHUASTH-UHFFFAOYSA-N 395.837 3.826 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(F)c(F)c1 13013052 IXXWBIXPGRYULA-UHFFFAOYSA-N 397.219 3.746 0 40 GHAB CCO[C@H]1C[C@@H](NC(=O)NCc2ccc(OC)c(OC)c2)C12CCCCC2 72306087 BCKLWVAOCHTANI-MOPGFXCFSA-N 376.497 3.631 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1)C(=O)O 4084574 JJIYXVXBBVJWCK-YJYMSZOUSA-N 379.412 3.689 0 40 GHAB biogenic CC[C@@H]1CCc2c(sc(NC(=O)c3cc(OC)cc(OC)c3)c2C(N)=O)C1 6119423 CLKQRMWJLYZAPF-LLVKDONJSA-N 388.489 3.631 0 40 GHAB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)c2cccs2)cc1 13856613 FXAXDQVARWLBNZ-UHFFFAOYSA-N 375.446 3.682 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1ccc(Br)s1 71283957 KKYBFOSCMHNASE-VIFPVBQESA-N 398.282 3.702 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cn1N 4406075 YYVGRQBJNVNNTB-IRXDYDNUSA-N 394.544 3.882 0 40 GHAB Cc1c(Cl)cccc1NC(=O)COc1ccc(Br)cc1CO 14115794 IOQAIICIUKVWSC-UHFFFAOYSA-N 384.657 3.921 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1F 14120338 UDDNHVFDMBWUCT-UHFFFAOYSA-N 384.329 3.993 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)c(C)c1 71327205 SKBKHFRWWBWEOI-UHFFFAOYSA-N 395.438 3.542 0 40 GHAB Cc1ccc(NC(=O)CC2=NC(=O)[C@@H](CC(=O)Nc3ccccc3F)S2)cc1 6510211 FVJHAAUQVZVYSH-MRXNPFEDSA-N 399.447 3.532 0 40 GHAB COc1ccc(OC)c(CN(C2CC2)S(=O)(=O)c2ccc(C)c(C)c2)c1 28055877 RYBPKDRWQADMSR-UHFFFAOYSA-N 375.490 3.674 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1nccs1 4682109 FQOITLXSQSNVKT-UHFFFAOYSA-N 394.481 3.573 0 40 GHAB O=C(O)CCCCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S 96663482 YYSJOVLIILHPHL-XFXZXTDPSA-N 387.429 3.744 0 40 GHAB COCCOc1ccc(NC(=O)COc2ccc(C)cc2Br)cc1 14646266 CGNUAMMVYGFWHL-UHFFFAOYSA-N 394.265 3.800 0 40 GHAB Cc1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)o1 6810272 IHNGXUBGAQPCHN-GOSISDBHSA-N 389.517 3.715 0 40 GHAB Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc3n(c(=O)c12)CCC3 6841244 TWXMNKFDGXKLTJ-UHFFFAOYSA-N 377.828 3.757 0 40 GHAB C[C@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)C(=O)NC1CCCC1 6977159 RWSFGSGSPOECEP-HNNXBMFYSA-N 393.516 3.869 0 40 GHAB O=C(NCc1ccc(Oc2cccnc2)c(F)c1)NC[C@H](O)c1ccc(F)cc1 67647023 VZFFVHDNIAAYNP-IBGZPJMESA-N 399.397 3.685 0 40 GHAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc(C)cc(C)c1 7406315 BXJXQFYLXUBXLB-IBGZPJMESA-N 397.471 3.623 0 40 GHAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 7737630 OYHAYENNJLXQBP-IENJSVCTSA-N 375.472 3.982 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1 8131845 ZATXEYMXCFAFQO-UHFFFAOYSA-N 383.473 3.766 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccccc1OC(F)(F)F 16725049 LCUHVSQFKBRERN-UHFFFAOYSA-N 378.350 3.893 0 40 GHAB CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)cc1 8324423 AEDCPLMGMOZAHJ-FQEVSTJZSA-N 393.439 3.773 0 40 GHAB Cc1nc(-c2ccccc2)cc2nnc(SCC(=O)NCc3ccccc3)n12 19862613 LGAFHLHVJVQEDI-UHFFFAOYSA-N 389.484 3.508 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 9596547 GQNIMRGKSRBHAP-AWEZNQCLSA-N 399.921 3.873 0 40 GHAB CC[C@H](C(=O)OCc1nc(-c2ccc(OC)c(OC)c2)no1)c1ccccc1 8513593 VQFLREPTSUCAJD-INIZCTEOSA-N 382.416 3.991 0 40 GHAB COc1ccc(CNC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)cc1OC 72329505 LCQWLXYPWMPJOV-UHFFFAOYSA-N 384.407 3.638 0 40 GHAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 84706101 CYRNHZVBSMQEHF-DVUAIPLNSA-N 396.453 3.819 0 40 GHAB O=C(c1ccsc1)N1CCO[C@@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306124436 BPPWOIYOSAUPEP-LJQANCHMSA-N 390.468 3.672 0 40 GHAB CC(C)NC(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2cccs2)CC1 32913141 SBGMESDBHLIQJL-IBGZPJMESA-N 385.533 3.784 0 40 GHAB CN1CCN(Cc2ccsc2)C[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 306140215 UNBQRJSZCIPSFF-OAQYLSRUSA-N 389.528 3.947 0 40 GHAB CN1CCN(Cc2ccoc2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 306130614 JKZTVHVEPCPTSN-IBGZPJMESA-N 379.489 3.540 0 40 GHAB COCCNC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 35311600 IFOVBDMUCQRFBR-UHFFFAOYSA-N 387.892 3.805 0 40 GHAB CCCc1c(C)c2ccc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc2oc1=O 5543913 ZGWAXWIJFPYJNO-ZDUSSCGKSA-N 389.448 3.873 0 40 GHAB biogenic COc1ccc(CC(=O)OC[C@H]2CCCN3CCCC[C@@H]23)cc1Br 5745047 RAHXPBOALFIWID-WBVHZDCISA-N 396.325 3.808 0 40 GHAB biogenic Cn1c(Cn2nnc3ccccc32)nnc1SCc1c(F)cccc1Cl 34791423 HCGRXYFBHQNPNA-UHFFFAOYSA-N 388.859 3.693 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 219199196 FMFBJFQFCMBDAZ-OAHLLOKOSA-N 379.460 3.594 0 40 GHAB COc1cccc(CNC(=O)c2cn[nH]c2-c2cccc(Br)c2)c1 72329045 AKXOIRIKXIDVPX-UHFFFAOYSA-N 386.249 3.778 0 40 GHAB CC[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 219725567 AZKSHCNPBAITTB-FQEVSTJZSA-N 388.533 3.663 0 40 GHAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cc2c(cc1OC)CCCC2 224971908 KCYRBPHKRBCSGL-UHFFFAOYSA-N 389.473 3.552 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(OC)c(OC)c1 224225105 ISRXUWWGKXLQLW-INIZCTEOSA-N 393.505 3.759 0 40 GHAB CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 223884526 VPQPMTVLSSVKOD-UHFFFAOYSA-N 386.517 3.758 0 40 GHAB C[C@@H]1CCCN(CCOc2ccc(NC(=O)C(C)(C)Br)cc2)C1 225594446 NSIVOPLCCOZMAP-CQSZACIVSA-N 383.330 3.909 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OC)c(OC)c1OC 44948971 XMYZEDZTRLBUEY-QGZVFWFLSA-N 387.476 3.803 0 40 GHAB COCCC1(NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)CCCC1 225870168 ZWFGWWFLCIHMLD-UHFFFAOYSA-N 375.538 3.758 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CC1 223300559 LFNGBGOPMADCPB-IOMROCGXSA-N 396.560 3.986 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 44908689 WFVOUYOYNVOXMB-SFHVURJKSA-N 382.504 3.878 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N3CCC[C@@H](C)C3)c2)cc1 224262828 UBGGTXGQUQVPJJ-QGZVFWFLSA-N 386.517 3.692 0 40 GHAB Fc1cccc(Nc2ccc3c([C@@H]4CCCN4c4ncccn4)nnn3c2)c1 96267970 CNQKFAMKZKELFD-KRWDZBQOSA-N 375.411 3.744 0 40 GHAB Cc1nc2c(c(Nc3ccccn3)n1)CCN(C(=O)CC1CCCCC1)CC2 257295088 QWYDGPYCHJUEPH-UHFFFAOYSA-N 379.508 3.821 0 40 GHAB C=CC(=O)N1CCC(C(=O)N2CCc3cc(CC)ccc32)(c2ccccc2)CC1 1606879737 HGMGLQWIZOAXKW-UHFFFAOYSA-N 388.511 3.885 0 40 GHAB CO[C@@H]1CCC[C@H](CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(Cl)cc3)C2)C1 668286063 YVDGUUTZECRCJY-HNONPPJISA-N 379.884 3.562 0 40 GHAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccnc2ccccc12 585111342 PGTDPERPSSQEBP-JOCHJYFZSA-N 398.466 3.523 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(SC(F)F)cc2)c1 58549293 KEOLZVVJXMEXJO-UHFFFAOYSA-N 395.383 3.827 0 40 GHAB C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 58593272 PRHAGOQBIBWZOS-UPJWGTAASA-N 392.348 3.801 0 40 GHAB CC(C)(C)c1ccc(OCC2CCN(c3cc(C(F)(F)F)ncn3)CC2)nn1 1775969226 DCHSIFBBJLNPDZ-UHFFFAOYSA-N 395.429 3.878 0 40 GHAB Cc1cc(C)cc(OCC(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c1 5894542 AAIVILKQAGMCHI-UHFFFAOYSA-N 399.516 3.790 0 40 GHAB Cc1ccc([C@@H](C)C(=O)N2CCC(c3cc(C(F)F)n4ncnc4n3)CC2)cc1 19135805 SMRZWACGUCBCJY-CQSZACIVSA-N 399.445 3.880 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)CCn3ccnc3C)[C@@H]3CCCC[C@H]32)cc1OC 19288067 MITHARGOEQXFAR-GIHONLOASA-N 397.519 3.687 0 40 GHAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CC1 19400533 UFDXKTKGIQUDIZ-DYESRHJHSA-N 385.458 3.839 0 40 GHAB COc1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2)c(OC)c1 19551932 UTKYNTKCXZGGPZ-LJQANCHMSA-N 392.459 3.856 0 40 GHAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CC1 7388228 HVMJSCQUJAIARJ-MDZDMXLPSA-N 381.476 3.626 0 40 GHAB CC(=O)c1c(C)nn(CC(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)c1C 12188131 FORYPBCQZRVECO-HXUWFJFHSA-N 390.487 3.657 0 40 GHAB CN1CCN(Cc2ccccn2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19589532 LTFXNVVFEQHNEL-QHCPKHFHSA-N 385.511 3.882 0 40 GHAB Cc1cccc2c(=O)[nH]c(CSc3nnc(-c4ccncc4)n3C3CC3)nc12 7242522 GQYYBOCROYGKSX-UHFFFAOYSA-N 390.472 3.512 0 40 GHAB CN(C)S(=O)(=O)c1ccc(SCc2ccc(Cl)c3cccnc23)nc1 31652754 UYIZUSKMEDDTCA-UHFFFAOYSA-N 393.921 3.826 0 40 GHAB C[C@@H]1Nc2ncnn2[C@H](c2ccccc2F)[C@H]1C(=O)Nc1ccc(Cl)cc1 239846198 KYYPOJIBWZWYNG-MZPVMMEZSA-N 385.830 3.729 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCn2nc3c(c2C1)CCC3 244983856 IUBRZMBTTHFXIY-UHFFFAOYSA-N 382.851 3.645 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 779377 RACQZMKDUVYXRR-LBPRGKRZSA-N 381.885 3.795 0 40 GHAB O=C(CN1C(=O)N/C(=C\c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 2551670 HMPNYPICTVOOBI-DHDCSXOGSA-N 390.226 3.525 0 40 GHAB CCc1ccc(N2C[C@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2CCCC3)cc1 2966310 SOUYCOIOGGOWSG-QHCPKHFHSA-N 381.496 3.526 0 40 GHAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)NC1CCCCC1 4264222 RGJIDKJMELPMIT-UHFFFAOYSA-N 381.885 3.843 0 40 GHAB CC(=O)c1s/c(=N\c2cccc(C)c2C)n(CCCN2CCOCC2)c1C 4940154 RHGNUOSMDRTOPZ-DQRAZIAOSA-N 387.549 3.632 0 40 GHAB CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 9173289 WGKMMVJSIQDTRS-UHFFFAOYSA-N 388.489 3.797 0 40 GHAB Cn1/c(=N\C(=O)c2cccc3ccccc23)sc2cc(S(C)(=O)=O)ccc21 12139991 DASKFVOYDMMEAI-QZQOTICOSA-N 396.493 3.538 0 40 GHAB CC(C)Oc1ccc(C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1 17113555 RXGZOGPNNNPEBL-QFIPXVFZSA-N 382.504 3.667 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)CC)cc1 17248172 SMQCLNXCVFVFKM-UHFFFAOYSA-N 388.489 3.575 0 40 GHAB O=C(Cc1cc(O)nc(SCc2cccc(Cl)c2)n1)NCc1ccco1 23138229 HBCQPIWWCVQVEH-UHFFFAOYSA-N 389.864 3.580 0 40 GHAB CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1ccc2ccccc2c1 207982652 FLPSUDMZAXMCET-UHFFFAOYSA-N 375.476 3.938 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225736524 MOXHCHSDXOMYSK-YCABEKBOSA-N 398.406 3.554 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3cccs3)s2)s1 606440701 RTULJPDLTSNWKI-LLVKDONJSA-N 385.557 3.858 0 40 GHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)c1C 40105263 SXWJDWCSMBEAJH-UHFFFAOYSA-N 382.869 3.522 0 40 GHAB CN(c1ccccc1)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12 40114473 MGXRYQSCWJTWPY-UHFFFAOYSA-N 384.439 3.954 0 40 GHAB COCCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc(C)c1C 32893933 KIZKHTSPHYSPTR-UHFFFAOYSA-N 383.901 3.539 0 40 GHAB Cc1cc(-c2cc(C(=O)O[C@H]3C[C@H](C)OC3=O)c3cnn(C(C)C)c3n2)c(C)o1 32883696 OQLFPCDMVGDAJK-SGTLLEGYSA-N 397.431 3.750 0 40 GHAB Cn1c(SCCOc2ccccc2)nnc1-c1ccc2c(c1)OCCCO2 21723237 PSDIINSBZCDUDJ-UHFFFAOYSA-N 383.473 3.815 0 40 GHAB O=C(O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccncc1 1041519 GMWNQDTXFHCFJL-PMACEKPBSA-N 376.387 3.786 0 40 GHAB CCN(C(=O)[C@H](C)S(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 32929778 HGYOYXODQAORQM-ZDUSSCGKSA-N 383.872 3.836 0 40 GHAB C[C@H](C(=O)NCc1ccccc1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 3326496 FJVPAWYDLZDRSM-CYBMUJFWSA-N 394.302 3.569 0 40 GHAB COc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(C)cc1Cl 3380935 WESQFZQARXQJFS-UHFFFAOYSA-N 377.824 3.608 0 40 GHAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1C 3598438 CRTGUECRXLDQJX-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccc(OC)c(OC)c1 4852780 CJTANDSZEJPAPN-BTYIYWSLSA-N 384.432 3.872 0 40 GHAB CCc1ccc(NC(=S)N2CCC(NC(=O)c3ccc(OC)cc3)CC2)cc1 4857581 CYCNXRKBPXBMNO-UHFFFAOYSA-N 397.544 3.849 0 40 GHAB CCOc1ccc(-c2csc3nnc(SCC(=O)N4CCCC4)n23)cc1 4967213 NSFXHIKRMFPLCG-UHFFFAOYSA-N 388.518 3.571 0 40 GHAB O=C(NCCNC(=O)C1CC1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 53175203 ICLWXPZKHSGJCH-UHFFFAOYSA-N 392.377 3.754 0 40 GHAB CCCOC(=O)c1cc(NC(=O)COC(=O)c2ccccc2)ccc1Cl 6880538 WTVAVSJESPVAQL-UHFFFAOYSA-N 375.808 3.702 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 6931938 BPZNAWHWXHGBBG-QPJJXVBHSA-N 384.863 3.739 0 40 GHAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)c1 7882258 VRYQLVKXRVIKRH-SFHVURJKSA-N 394.471 3.860 0 40 GHAB CC1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)CC1 18190732 GJIDTMUNERKZJV-UHFFFAOYSA-N 393.512 3.736 0 40 GHAB CCc1ccc([C@@H]2c3c(/C=C/c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10297936 FFGDPQXSIHCSLQ-XEDBTPMOSA-N 397.442 3.596 0 40 GHAB COc1ccc(CSc2nc(N)c3cc4c(nc3n2)CC(C)(C)OC4)cc1 1245280 BCJOVODFMGJOQN-UHFFFAOYSA-N 382.489 3.759 0 40 GHAB CCOc1ccc(C2=C[C@H](c3cc(OC)ccc3OC)n3ncnc3N2)cc1 101032951 DCHAENMNCDJJAY-LJQANCHMSA-N 378.432 3.750 0 40 GHAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)c1ccccc1 12544942 JUOICRPPNOLVRQ-HNNXBMFYSA-N 390.530 3.620 0 40 GHAB COc1ccc(CCNC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)cc1 12507054 HCXUZLRAWOAFED-SFHVURJKSA-N 381.520 3.845 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cccc(F)c2)CC1 100750039 BOBRELJYPCYMIB-LLGFUMIMSA-N 383.467 3.634 0 40 GHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 97145724 JAUVQEVYCDLBLL-OAHLLOKOSA-N 386.496 3.515 0 40 GHAB CCN1CCN(C(=O)N[C@H](c2ccc(C)c(F)c2)C(Cl)(Cl)Cl)CC1 57531546 UGGVTFPKYZCPSO-CQSZACIVSA-N 396.721 3.893 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12617277 MIOKETZSMRWHNJ-UHFFFAOYSA-N 393.418 3.549 0 40 GHAB COc1ccc(CC(=O)NCc2cccnc2Oc2cccc(F)c2)cc1OC 48234874 SFDCJZKLAQBOBY-UHFFFAOYSA-N 396.418 3.889 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)C3CC3)CC2)c2ccccc12 48287342 SDOJDEOCKMQXIP-OAHLLOKOSA-N 380.488 3.615 0 40 GHAB Cc1sc2ncnc(N3CCC(C(=O)N[C@H](C)c4cccnc4)CC3)c2c1C 10056938 DKMIFFKIPNSYEM-CQSZACIVSA-N 395.532 3.797 0 40 GHAB CCOc1ccc(CCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1OCC 20454843 IREFXXGBYBNCPW-UHFFFAOYSA-N 393.487 3.919 0 40 GHAB O=C(COc1ccc(F)cc1)NC[C@@H](c1ccccc1Cl)N1CCCC1 27662192 XFQINLMYTGXQRW-IBGZPJMESA-N 376.859 3.811 0 40 GHAB O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccoc1 27737576 IFETVGUIKULBJY-UHFFFAOYSA-N 376.821 3.986 0 40 GHAB CN(c1ccc(C(=O)NCc2cccc(F)c2)cc1)S(=O)(=O)c1ccccc1 113937555 XSRSWMFMDVGOPY-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccccn3)c2)cc1 10556758 JCIYVKDCFBPIJF-MRXNPFEDSA-N 395.484 3.682 0 40 GHAB Cc1cc(C)cc(OC[C@@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 22030579 OTGXRIJDGQDCJI-NRFANRHFSA-N 388.939 3.514 0 40 GHAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1OC 2365271 DUVILVSYXPPXSW-UHFFFAOYSA-N 388.518 3.690 0 40 GHAB C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)C1 28684481 JEFMHINPSSXLDW-HNNXBMFYSA-N 398.532 3.754 0 40 GHAB CCCCn1nc(C)c2c(C(=O)Nc3cnn(COCC)c3)cc(C3CC3)nc21 36616824 KXIIXOKZNPQTGD-UHFFFAOYSA-N 396.495 3.860 0 40 GHAB COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC[C@@H]2CCCO2)c1 12846646 PRBWOVVYFHCVHG-FQEVSTJZSA-N 391.471 3.765 0 40 GHAB CC(C)(C)c1nc(CS(=O)(=O)Cc2csc(C3CCCCC3)n2)no1 48712467 KATPUCGAQWLTHP-UHFFFAOYSA-N 383.539 3.986 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13004429 MDQBLCUWGHEKMM-MRXNPFEDSA-N 394.471 3.881 0 40 GHAB Cc1sc2ncn(CC(=O)N[C@H](C)c3ccccc3Cl)c(=O)c2c1C 6111127 TUCYGEAWAZQUES-LLVKDONJSA-N 375.881 3.606 0 40 GHAB COc1ccc(CC(=O)Oc2ccc(Br)cc2)c(OC)c1OC 39994045 NLSVMPIGFXUWPT-UHFFFAOYSA-N 381.222 3.623 0 40 GHAB CCc1ccccc1N1C[C@H](c2nnc(NC(=O)C(CC)CC)s2)CC1=O 13944503 BMBIWYOGVWLLOS-OAHLLOKOSA-N 386.521 3.996 0 40 GHAB COc1ccc(-c2nnn([C@H](C)C(=O)c3c(C)[nH]c4ccccc34)n2)cc1OC 14230623 YHJYIUFJMUHAPE-CYBMUJFWSA-N 391.431 3.591 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)O)c(NC2CCCCC2)cc1Cl 4616485 LTABLNLOJTWJSN-UHFFFAOYSA-N 388.917 3.813 0 40 GHAB CCc1ccc(C(=O)[C@H](C)OC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 19483150 VXEUJGMFNMBXPE-HNNXBMFYSA-N 383.444 3.509 0 40 GHAB C[C@H]1CCc2[nH]/c(=N/C(=O)CN3CCC(Cc4ccccc4)CC3)sc2C1 6920449 ZOOWQPAMZIZYIE-INIZCTEOSA-N 383.561 3.583 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Sc2nnc(NC(C)(C)C)s2)cc1 9112842 BOYVCQQYFXAWQL-LLVKDONJSA-N 380.539 3.554 0 40 GHAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(Br)cc1F 7297284 DOOSCXQPPZORAV-VIFPVBQESA-N 395.257 3.750 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc3ccccc3oc2=O)c1 15827610 HQZJVVYRQPZCQI-GOSISDBHSA-N 379.412 3.788 0 40 GHAB Cc1ccccc1N1CCN(CCOc2ccc3c(C)cc(=O)oc3c2)CC1 68752434 VDPVUHFMSBZLCH-UHFFFAOYSA-N 378.472 3.611 0 40 GHAB CC(=O)N1C[C@H](C(=O)N(c2ccccc2)c2nc(C)cs2)Oc2ccccc21 7989719 BWWBVOFECXKERS-LJQANCHMSA-N 393.468 3.930 0 40 GHAB Cc1nc(SCC(=O)NCc2cn3ccccc3n2)c2c(C)c(C)sc2n1 7943947 XPHLEMWPQSVERV-UHFFFAOYSA-N 397.529 3.673 0 40 GHAB O=C1N[C@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)Nc2ccccc21 8164714 BWZAMWTXWKQTQN-JOCHJYFZSA-N 381.439 3.848 0 40 GHAB O=C(N=c1[nH]c2ccccc2[nH]1)C1CCN(C(=O)c2cccc3ccccc23)CC1 17304367 PTNZKOIBURUVQU-UHFFFAOYSA-N 398.466 3.629 0 40 GHAB Fc1cccc(-c2nnc([C@H]3CC34CCN(Cc3nc(C5CC5)no3)CC4)o2)c1 71890581 QFNBGHBOPZQIAA-MRXNPFEDSA-N 395.438 3.906 0 40 GHAB Cc1c(C(=O)Nc2cc(F)ccc2F)nnn1-c1ccc(OC(F)F)cc1 19911373 AKZSWCXBUYWSGF-UHFFFAOYSA-N 380.301 3.708 0 40 GHAB COc1ccc(OC)c(CC(=O)N[C@@H](C)c2cccc(Br)c2)c1 20029776 ROLQVTHUQWDPBT-LBPRGKRZSA-N 378.266 3.886 0 40 GHAB O=C(CN1CCN(CC(F)(F)F)CC1)Nc1ccccc1Oc1ccccc1 95469872 GGPVYLQSHORKCM-UHFFFAOYSA-N 393.409 3.597 0 40 GHAB CCN1c2ccc(C(=O)NCc3ccccc3)cc2-c2ccccc2S1(=O)=O 64762049 NWHWNMDYXBTDKU-UHFFFAOYSA-N 392.480 3.812 0 40 GHAB CCN(CC)Cc1ccccc1CNC(=O)C(F)(F)c1ccc(OC)cc1 89969009 WUBDMLOJQILMHJ-UHFFFAOYSA-N 376.447 3.945 0 40 GHAB COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OC(C)C)c2n1 21789006 XSNPLBHLTQZXHD-UHFFFAOYSA-N 379.338 3.989 0 40 GHAB COc1ccc(NC(=O)COc2ncnc3sc4c(c23)CCCCC4)cc1 32638437 ZBMOPCAMCYRHBS-UHFFFAOYSA-N 383.473 3.986 0 40 GHAB COc1ccc2oc(C(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cn3)c(C)c2c1 32910484 SLFIMESEZUPYOL-LLVKDONJSA-N 388.807 3.982 0 40 GHAB O=C(NCc1ccnc(-n2cccn2)c1)c1cc2c(Cl)c(Cl)ccc2[nH]1 515789411 MSYLNRZTVMWGHA-UHFFFAOYSA-N 386.242 3.985 0 40 GHAB CCSc1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 216242829 MQAFWBREEOKFSB-UHFFFAOYSA-N 392.546 3.820 0 40 GHAB COC(=O)c1ccccc1NC(=O)Cc1cc(-c2ccc3c(c2)C[C@@H](C)O3)on1 38498823 RUTQQQHZRKYNMW-CYBMUJFWSA-N 392.411 3.633 0 40 GHAB CCc1nc(S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C(=O)O)n[nH]1 213401463 UJIJHRBVYGCOLO-DHDCSXOGSA-N 399.428 3.852 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@@H](c1cccc(F)c1)N(C)C 37123974 PSARKFXUHJVERP-YADHBBJMSA-N 395.478 3.509 0 40 GHAB CN(Cc1c(C(=O)O)sc2cccc(F)c12)[C@H]1CCCC[C@@H]1S(C)(=O)=O 566363139 XASHCWXMWQRJTE-ZFWWWQNUSA-N 399.509 3.526 0 40 GHAB Cc1c(C=O)c2ccccc2n1CC(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 39761038 LRJNILNXTMOUFA-HNNXBMFYSA-N 392.455 3.801 0 40 GHAB Cc1ccc2c(c1)c1nnc(SCC(=O)Nc3ccccc3F)nc1n2C 35314399 MIVVNJYXVOTIGF-UHFFFAOYSA-N 381.436 3.695 0 40 GHAB COc1ccc2[nH]/c(=N/C(=O)CCCn3sc4ccccc4c3=O)sc2c1 36353266 ABHSCNXWOLAOIB-UHFFFAOYSA-N 399.497 3.522 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=S)Nc2cc(F)ccc2C)cc1 71761616 QERPJFYGDZMVPO-UHFFFAOYSA-N 395.525 3.974 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)C2(c3ccc(F)cc3)CCCC2)n1 40023618 VKDPCRLBYQBGSF-UHFFFAOYSA-N 376.453 3.838 0 40 GHAB CCc1nccn1-c1cccc(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 72378385 MATSCTLXOCZPCC-UHFFFAOYSA-N 378.451 3.989 0 40 GHAB COc1ccc(-c2noc(CNC(=O)Nc3cccc(Cl)c3)n2)c(OC)c1 222632621 OPSCQPDZNYUZOY-UHFFFAOYSA-N 388.811 3.729 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 222937692 VAZYTZFSFDLMGR-JOCHJYFZSA-N 396.531 3.612 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)c(C)c1 222772698 IBHBGYDYZYHGLM-UHFFFAOYSA-N 393.505 3.586 0 40 GHAB COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)o1 222767610 MNTCGPSGKGZULI-OALUTQOASA-N 393.468 3.731 0 40 GHAB CCOc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OC)cc1OCC 225128369 FWKNHUZUTGFYQN-UHFFFAOYSA-N 399.896 3.625 0 40 GHAB COc1ccc(-c2cc(C(=O)NCCCC(=O)O)c3ccccc3n2)cc1OC 40312963 WEPIYQSIVZADMZ-UHFFFAOYSA-N 394.427 3.514 0 40 GHAB biogenic CC(C)(C)c1csc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)n1 40129452 GPKIIKZUSKCOOG-UHFFFAOYSA-N 383.876 3.992 0 40 GHAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(OC)c(O)c2)c1 40284903 WCFPILFOEKQVHZ-CQSZACIVSA-N 395.415 3.727 0 40 GHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 222866763 SFPJWRPIRGKKET-VQTJNVASSA-N 377.517 3.709 0 40 GHAB Cn1cc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)cn1 96038318 STLBOIDLXGSXCT-UHFFFAOYSA-N 387.491 3.586 0 40 GHAB CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3nccs3)CC2)Oc2ccccc21 96053151 YMHOBWZORXYZFG-MRXNPFEDSA-N 385.533 3.522 0 40 GHAB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc(-c3cc(C(=O)O)ccc3Cl)o1)CC(=O)O2 95475178 HFLSLSFBHNDHHB-LBPRGKRZSA-N 399.786 3.736 0 40 GHAB Cc1nc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c(C)o1 585085929 XKHMTHKGORZHMA-KRWDZBQOSA-N 391.899 3.527 0 40 GHAB CC(C)c1cc(C(=O)N2CCC3(CC2)C[C@H](N(C)c2ccccc2)CO3)on1 257324115 WNFVDIWDKDSCLO-SFHVURJKSA-N 383.492 3.698 0 40 GHAB O=C(O)c1ccccc1-c1ccc(CN2CC(c3n[nH]c4ncccc34)C2)cc1 257222883 DUZFISXAOAHTTL-UHFFFAOYSA-N 384.439 3.923 0 40 GHAB O=C(O)c1ccccc1-c1ccc(CN2CCC(Cc3cnccn3)CC2)o1 257208020 BKHVPOYVEPAZME-UHFFFAOYSA-N 377.444 3.890 0 40 GHAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)CN3CCCCC3)CC2)n1 257285280 PGKZLXMYSARYDZ-UHFFFAOYSA-N 396.535 3.799 0 40 GHAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2cc(Cl)ccc2N(C)C)C1 626392747 ZZBQQPHCBYYTNW-AYOQOUSVSA-N 394.947 3.512 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390831565 SNYIKZDDLWCNEX-IWAYRVGRSA-N 395.933 3.803 0 40 GHAB O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cccc2ccccc12 5428821 FHHNFGWYSWRMHJ-OAQYLSRUSA-N 383.451 3.785 0 40 GHAB COCCC(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2ccncc2)cc1 12220526 MVLRIDSPCNCJHW-UHFFFAOYSA-N 390.487 3.982 0 40 GHAB COc1ccc(-c2nc(N(C)CCc3ccccn3)ncc2-c2ncc[nH]2)cc1 12221357 GMJPYSZLAYKFRB-UHFFFAOYSA-N 386.459 3.616 0 40 GHAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccc(C(F)(F)F)c1 15573834 NFLFWDLTMNSLQB-UHFFFAOYSA-N 378.350 3.850 0 40 GHAB COc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)CC(C)(C)C)n2)cc1 15675975 WPJPVPHYLBGQIF-KRWDZBQOSA-N 395.463 3.531 0 40 GHAB biogenic,in-vitro Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1nc(-c2ccsc2)no1 16859841 OBJYEUJZLQKLPQ-UHFFFAOYSA-N 380.429 3.958 0 40 GHAB Cc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 19136091 HQSNGCVGYDNRSF-UTKZUKDTSA-N 378.520 3.630 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)c1cnn2c(C(F)F)cc(C3CC3)nc12 19665705 FMYLBTVUSQIERZ-CQSZACIVSA-N 384.386 3.798 0 40 GHAB Cc1onc(C(=O)Nc2ccc3[nH]c(Cc4ccccc4)nc3c2)c1CN(C)C 19714779 CUXOSXITWLSFHY-UHFFFAOYSA-N 389.459 3.764 0 40 GHAB COc1ccc(Br)cc1/C=C1\N=C(c2ccc(F)cc2)OC1=O 3571564 HJHKNFOKKRUUFZ-ZROIWOOFSA-N 376.181 3.941 0 40 GHAB CN1CC2(CCC(C(=O)NC3CCCCCC3)CC2)Oc2ccccc2C1=O 19587825 UEUJZVZFKAOSBG-UHFFFAOYSA-N 384.520 3.919 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CS3)c1 15827973 VSYWRQJFTMCCON-KRWDZBQOSA-N 398.484 3.725 0 40 GHAB CCC(=O)Nc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)s1 1371454 GYSQXBZBFQRFOZ-UHFFFAOYSA-N 390.412 3.636 0 40 GHAB COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1 2711529 GHLAKTXYUXIBHZ-UHFFFAOYSA-N 396.921 3.642 0 40 GHAB Cc1ccc(CNC(=O)CSc2nnc3ccc(-c4cccs4)nn23)cc1 5168301 LAFNDZKUFDKIOU-UHFFFAOYSA-N 395.513 3.570 0 40 GHAB Cn1nccc1C(=O)N(C[C@H]1CCCO1)c1nc2c(Cl)cccc2s1 11695104 TWIOKOMWXNJSAC-LLVKDONJSA-N 376.869 3.509 0 40 GHAB Cc1ccccc1[C@H]1CCN(C(=O)Cn2c(=O)oc3ccccc32)CCS1 219284794 ZWBSBBKRZMPMIS-LJQANCHMSA-N 382.485 3.610 0 40 GHAB O=C(Cc1cccc2ccccc12)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38725977 QYAKSBAZODUTRA-DNQXCXABSA-N 398.506 3.857 0 40 GHAB O=C(NC[C@](O)(c1ccco1)c1cccs1)c1cc(-c2ccccc2)on1 225586454 AJMHTRADGHWUGE-FQEVSTJZSA-N 380.425 3.662 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H](c1ccsc1)n1cccn1 575613691 KFXQFYDAWTXQDO-IBGZPJMESA-N 395.463 3.504 0 40 GHAB O=C1[C@@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 9066928 KKIHAPRDPGVXAB-UKRRQHHQSA-N 395.629 3.939 0 40 GHAB CC(=O)Nc1ccc(CC(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 40094237 WZSYQUIMKUIRHD-UHFFFAOYSA-N 393.418 3.830 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1OC(F)F 40049485 QIMYOBBWCNPLLQ-LBPRGKRZSA-N 396.415 3.601 0 40 GHAB COc1ccc(CN(C)C(=O)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)cc1 40129470 UFWLDFHKKLGCPN-UHFFFAOYSA-N 399.441 3.977 0 40 GHAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1OC 40134344 OTFNJUUXUCPZHX-XCLFUZPHSA-N 386.423 3.522 0 40 GHAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)[C@H]1C[C@H]1C 20864583 ADSZCYPJVUIDQZ-PWSUYJOCSA-N 391.445 3.631 0 40 GHAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1nnc(C2CC2)s1 32492390 IYQVKXYSDBEFHJ-UHFFFAOYSA-N 381.486 3.973 0 40 GHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(Cn2cncn2)cc1 32779719 KGBDLGVPZYGSLU-HNNXBMFYSA-N 383.883 3.882 0 40 GHAB Cc1cc(NC(=O)c2ccccc2OC(F)F)ccc1N1CCN(C)CC1 32843490 YLAIKMWKBTYBKF-UHFFFAOYSA-N 375.419 3.601 0 40 GHAB Cc1cc(-c2csc(NC(=O)[C@H]3CC(=O)N(CC(C)C)C3)n2)c(C)s1 29778196 WNBDKQWWLOEZGP-ZDUSSCGKSA-N 377.535 3.931 0 40 GHAB COc1ccc(-c2csc(N3CCN(C(=O)c4ccccc4)CC3)n2)cc1 643447 HXJLQFPFMYJEFO-UHFFFAOYSA-N 379.485 3.781 0 40 GHAB COc1cc2c(cc1NC(=O)c1nc3nc(C)cc(C)n3n1)oc1ccccc12 2660466 UFLMRGJQAFLFTG-UHFFFAOYSA-N 387.399 3.901 0 40 GHAB CCCCNC(=O)C1CCN([C@@H](C)C(=O)Nc2cccc3ccccc23)CC1 29927085 YGUBGWCNNRHHRL-KRWDZBQOSA-N 381.520 3.795 0 40 GHAB CCOC(=O)c1c(NC(=O)COc2cccc(C)c2)sc(C(C)=O)c1C 846864 GMNDASSZFCJXSH-UHFFFAOYSA-N 375.446 3.762 0 40 GHAB O=C(Nc1ccccc1SCC(F)(F)F)c1n[nH]c(=O)c2ccccc12 32900576 HHCMDBIDXQEHQB-UHFFFAOYSA-N 379.363 3.830 0 40 GHAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1 102952226 NLWUBWYXDSVKGW-SFHVURJKSA-N 379.526 3.512 0 40 GHAB CCN(CC)C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)[C@@H](COC)OC 4792379 SWYKAZJQKQLLEF-FCHUYYIVSA-N 399.531 3.734 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)cc1C 6352399 XHTAXDKGKWNQNS-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 6959421 ZMKPYJKGBGGHKH-ZHACJKMWSA-N 394.500 3.747 0 40 GHAB O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1cccc(F)c1 7758409 UNJXEFKWCXYXTF-UHFFFAOYSA-N 392.386 3.737 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 7928014 KRYWJFWOVYLRES-SFHVURJKSA-N 394.471 3.862 0 40 GHAB O=C(CNC(=O)c1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(F)c(F)c1 8734984 PTXWOJNKTTYSDE-UHFFFAOYSA-N 394.377 3.564 0 40 GHAB Cc1noc(C)c1COC(=O)Cc1csc(COc2ccc(F)cc2)n1 23218488 OYBDSLQULIEWQD-UHFFFAOYSA-N 376.409 3.752 0 40 GHAB CCCC[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1 57669614 KLSYYVFICGKTPW-FQEVSTJZSA-N 386.519 3.981 0 40 GHAB COc1ccc2c(ccn2CCC(=O)NC2CCN(Cc3ccccc3)CC2)c1 61721666 FDOAIVDMVWZXSF-UHFFFAOYSA-N 391.515 3.821 0 40 GHAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC([C@@H](O)c2ccccc2)CC1 55274330 VDYDRZVWRKKFMD-RXVVDRJESA-N 385.891 3.863 0 40 GHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCc1nc2ccccc2[nH]1 25050995 YPMCCSGXIUBTGG-UHFFFAOYSA-N 399.450 3.532 0 40 GHAB COCCn1cc(C(=O)NCCCc2nc3ccccc3[nH]2)c2ccccc21 57430564 OUHATMCPYQIJTP-UHFFFAOYSA-N 376.460 3.527 0 40 GHAB C[C@@](O)(CN1CCN(CCc2cccs2)CC1)c1cccc(C(F)(F)F)c1 69930302 AZZJZOFZQUTBBZ-LJQANCHMSA-N 398.494 3.835 0 40 GHAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CC(C)(C)C)c1 21220520 VOJITUSBFMFTAR-UHFFFAOYSA-N 376.478 3.871 0 40 GHAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(N2CCCCCC2)cc1 45033349 CEYNGLUWEIJKSO-UHFFFAOYSA-N 378.538 3.753 0 40 GHAB C[C@H]1CN(C(=O)c2oc3ccccc3c2CSc2ncccn2)C[C@H](C)O1 58418147 PIIFSMLJIYWMPL-KBPBESRZSA-N 383.473 3.765 0 40 GHAB CC(C)CCOC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc12 2253392 PPRJPZNDBSKQJT-AWEZNQCLSA-N 382.464 3.549 0 40 GHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 20041112 NIMUEZKTYLTSKS-IBGZPJMESA-N 376.859 3.985 0 40 GHAB CCc1ccc(NC(=O)Cn2c(C)c(CC)c(=O)n3c4ccccc4nc23)cc1 20798422 VRTXRWHKCJJCHD-UHFFFAOYSA-N 388.471 3.721 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c3c2C(=O)C[C@H]3C)cc1OC 12781016 FIQIIUIXEUDGTC-VXGBXAGGSA-N 387.407 3.939 0 40 GHAB Cc1nn(C)c2ncc(C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)cc12 12915245 GRGLEAWLHUAWRD-SFHVURJKSA-N 380.448 3.997 0 40 GHAB CC[C@@]1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccccc3)c(=O)c21 3646585 XDIJFTWBSBJILS-QHCPKHFHSA-N 375.472 3.528 0 40 GHAB Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)c1cccc2ccccc12 70761573 LFQFSEXCXQYNHW-SFHVURJKSA-N 375.877 3.814 0 40 GHAB O=C(c1ccc(Br)cc1)N1CCC[C@@H](c2nnc3ccccn23)C1 13692275 RMRPRVVPUZDQTH-CQSZACIVSA-N 385.265 3.512 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2F)N1C[C@@H]1CCCO1 5156143 OPWPUVLFHJGEBY-ORAYPTAESA-N 397.377 3.795 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CCOc1ccc(C)cc1 14165360 KQGDNRGPCNOIMT-HNNXBMFYSA-N 376.884 3.995 0 40 GHAB COc1cc(Br)c(CSC2=N[C@H]3CCCC[C@@H]3N2)cc1OC 14244895 ICNQJRZYMQKONC-STQMWFEESA-N 385.327 3.970 0 40 GHAB NC(=O)Cc1csc(NC(=O)c2ccccc2SCc2ccsc2)n1 14332334 QQOVXAOSRYFECH-UHFFFAOYSA-N 389.527 3.777 0 40 GHAB CC(=O)Nc1cc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c(F)cc1F 66284281 ALTBSJSBEYHKJW-UHFFFAOYSA-N 396.777 3.990 0 40 GHAB NC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 5636710 GBFOIMNDDCUKJT-UHFFFAOYSA-N 388.452 3.952 0 40 GHAB COc1cccc(-n2cnnc2S[C@H](C)C(=O)c2ccc(F)c(F)c2)c1 5895599 DGLQIVBXZIRQHW-LLVKDONJSA-N 375.400 3.918 0 40 GHAB CCC(C)(C)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)s1 4977089 MVWKRMSGGLISEF-AWEZNQCLSA-N 386.521 3.834 0 40 GHAB CC1CCN(C(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)CC1 67262542 MIJMGAWXEWDVIQ-UHFFFAOYSA-N 381.867 3.855 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](O)c3cc(F)ccc32)c2cccnc12 96006752 ADVPYIOFEWYVOS-GOSISDBHSA-N 386.448 3.705 0 40 GHAB O=C(Cn1ccc2cc(Br)ccc21)NCCc1nc2ccccc2[nH]1 96117520 BQQNNIHXAKBHEH-UHFFFAOYSA-N 397.276 3.639 0 40 GHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N(C1=CCCCC1)C1CC1 7424629 BWSQUUOGYXRYEC-UHFFFAOYSA-N 391.397 3.808 0 40 GHAB C[C@H](NC(=O)COc1ccc(-n2cnnn2)cc1)c1ccc(-c2ccccc2)cc1 9389361 QUVUWIQRVQHORG-KRWDZBQOSA-N 399.454 3.586 0 40 GHAB CC(C)(C)c1cc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)on1 7684389 XHYIQSGFBQQYLM-MRXNPFEDSA-N 399.491 3.909 0 40 GHAB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)ccc1O 9331475 FRZQGRQUSWQVGB-FQEVSTJZSA-N 395.459 3.674 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)nc2n1 7823072 CNYKKQHCMZAQSN-OAHLLOKOSA-N 395.532 3.589 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(COC(=O)[C@H](C)Sc2ccccc2)n1 7814617 VYJCKWVYINHTFQ-AWEZNQCLSA-N 395.488 3.730 0 40 GHAB COc1cccc(-c2nnn(Cc3cc4ccc(OC)cc4nc3Cl)n2)c1 7987764 XXQMEENAPFBCLU-UHFFFAOYSA-N 381.823 3.607 0 40 GHAB CN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)[C@H]1CCCc2ccccc21 8126323 NHLDTLUJQGWVBJ-IBGZPJMESA-N 377.488 3.760 0 40 GHAB COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H](C)c1ccccc1 16780159 KPGFRGBQSKRMPF-GFCCVEGCSA-N 384.295 3.806 0 40 GHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8312365 OCAYMDOZJYFYQL-UHFFFAOYSA-N 376.416 3.870 0 40 GHAB Cc1ccccc1-n1nnnc1SCC(=O)N(Cc1ccccc1)C(C)C 9607074 INIQADGPMQZKQN-UHFFFAOYSA-N 381.505 3.500 0 40 GHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C1=Cc2cc(Cl)ccc2OC1 9893244 VLOPVVBEBCYMKO-UHFFFAOYSA-N 393.834 3.743 0 40 GHAB O=C(NC[C@H]1COCCO1)c1ccccc1Nc1cccc(C(F)(F)F)c1 84500114 LGBDJAZHCCTBLQ-HNNXBMFYSA-N 380.366 3.594 0 40 GHAB Cc1cccc(CN2C[C@H]3[C@@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)c1 306140888 VGEVRNGKYZLVRB-LEWJYISDSA-N 392.528 3.643 0 40 GHAB CCNC(=O)c1cc(NC(=O)c2nc(OCC)ccc2Cl)nc2ccccc12 95979652 CWBNRFSMIPFCED-UHFFFAOYSA-N 398.850 3.684 0 40 GHAB Cc1c(C(=O)Nc2ccc(-n3cncn3)cc2)cnn1-c1cccc(Cl)c1 24901574 YCEVSKCGXXCSDU-UHFFFAOYSA-N 378.823 3.667 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2cccnc2)C1=O)Nc1cccc2ccccc12 409323682 PBUVHLYWHOYTOS-WOJGMQOQSA-N 389.436 3.910 0 40 GHAB CCCCNc1nc(S[C@@H](CC)C(=O)NCCCOC)nc2ccccc12 34138636 SROFDCPFYRNUFJ-KRWDZBQOSA-N 390.553 3.865 0 40 GHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(F)c(Cl)c2)c1 30850746 FSSCIBKVURJHHT-UHFFFAOYSA-N 377.224 3.756 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1Cl 408712944 CMTGQGYVBFSPFZ-UHFFFAOYSA-N 377.853 3.930 0 40 GHAB CN1CCN(c2ccncc2NC(=O)Cc2cc(Cl)cc3ccccc23)CC1 1527871959 KLHGXLJRZCRXRM-UHFFFAOYSA-N 394.906 3.821 0 40 GHAB N[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Br)cc1 72227513 XLAHFWOGFNHAKF-KGLIPLIRSA-N 385.183 3.883 0 40 GHAB COc1cc(-c2csc(-c3c(C)c(C)nn(C)c3=O)n2)ccc1OC(F)F 32808906 SHWQBYIBPDLONG-UHFFFAOYSA-N 393.415 3.798 0 40 GHAB CCOc1ccc(CNC(=O)c2snc(-c3ccc(OC)cc3)c2N)cc1 62007096 PWRXHRUFNRZAAZ-UHFFFAOYSA-N 383.473 3.730 0 40 GHAB FC(F)(F)c1ccc(I)c(I)c1 71244850 VJVPAKPVOCXMDE-UHFFFAOYSA-N 397.903 3.915 0 40 GHAB COc1ccc(OC)c(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 32501808 VXQKLHJACAPZJX-UHFFFAOYSA-N 389.883 3.707 0 40 GHAB CCOC(=O)C[C@H](C1=Cc2ccccc2OC1)c1c(O)c2ccccc2[nH]c1=O 72325236 ABIWKHIOTVHBFV-QGZVFWFLSA-N 391.423 3.747 0 40 GHAB biogenic Cc1nc2cc(F)ccc2n1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 35314281 WPOXUPZADSSKMW-UHFFFAOYSA-N 391.443 3.649 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(F)cc2)CC1 71806522 VFZBAFJMLIJFEJ-UHFFFAOYSA-N 382.357 3.572 0 40 GHAB CCc1cccc(CC)c1NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219715768 DWXHFYRWZCOQSR-UHFFFAOYSA-N 388.533 3.851 0 40 GHAB CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 72344743 KALOTLLXRMTNAC-GOSISDBHSA-N 396.535 3.813 0 40 GHAB C[C@H](NC(=O)CCSCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 223862073 WSBDCRYQPCAVBM-HNNXBMFYSA-N 377.531 3.591 0 40 GHAB C[C@@H]1CCCCN1c1cc(N2CCCCCC2)nc(NC(=S)NC2CC2)n1 226003807 NTKJJTDLECPVEJ-OAHLLOKOSA-N 388.585 3.685 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(CN2CCCCC2)cc1 224539820 NTTTZTLAPHLEOO-UHFFFAOYSA-N 376.497 3.599 0 40 GHAB O=C(COc1cccc2c1CCCC2)NCCCN1CCc2ccccc2C1 225541346 ILFFUNLABUPDLZ-UHFFFAOYSA-N 378.516 3.509 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C 222849206 IFYOSUKHWBUNKW-QFIPXVFZSA-N 396.531 3.878 0 40 GHAB O=C(NCc1ccccc1OC(F)(F)F)c1ccc(O[C@@H]2CCSC2)nc1 225715941 BUFBXWPBRYCTAF-CQSZACIVSA-N 398.406 3.795 0 40 GHAB COC(=O)c1cccc(NC(=S)NCCCSc2ccc(OC)cc2)c1 225803436 HXFUBCJNZQNJDF-UHFFFAOYSA-N 390.530 3.951 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1 224941355 CHDHASNAUIDSSX-JOCHJYFZSA-N 396.531 3.688 0 40 GHAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccco1 223190845 CNUJKWNWCSYBHQ-QFIPXVFZSA-N 394.446 3.695 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccccc1CN1CCCC1 224779775 OZTBVIZZDJKLIT-UHFFFAOYSA-N 378.925 3.555 0 40 GHAB CC[C@@H](NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccc(C)cc1 222503746 UFEOQLOCWUAJMH-GOSISDBHSA-N 394.924 3.925 0 40 GHAB CC(C)(NCC(=O)NCc1ccccc1F)c1ccc(Br)cc1 40149547 LTSFLQNSXYKOFA-UHFFFAOYSA-N 379.273 3.729 0 40 GHAB COc1cccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CCC(=O)O)c1OC 85344959 JQAPLWVHYYFIBE-GOSISDBHSA-N 396.443 3.555 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)cc2)n1 148515119 YZEHUUYQJDPTQH-QGZVFWFLSA-N 391.471 3.810 0 40 GHAB F[C@@H]1CN(Cc2cnc3ccccc3c2)C[C@@H]1OCc1nc2ccccc2[nH]1 96112182 VRTYJFOCMYGLTK-UTKZUKDTSA-N 376.435 3.850 0 40 GHAB biogenic,in-vitro C[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2cccs2)no1 95482306 NOHGTVYXRDOQTF-NSHDSACASA-N 377.853 3.877 0 40 GHAB Cc1ncc2ccc(C(=O)N[C@H](CO)c3ccc(Cl)cc3C(F)(F)F)cn12 585081962 JWRRPRKFVBNAOL-MRXNPFEDSA-N 397.784 3.778 0 40 GHAB Cc1cc(Nc2ccccn2)cc(C2CCN(Cc3cnn(C)c3C)CC2)n1 257246233 ITFBZDLNWZSEEW-UHFFFAOYSA-N 376.508 3.950 0 40 GHAB C[C@@H](O)CC(C)(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257311761 UKWPWRNIBNXXJV-GOSISDBHSA-N 396.531 3.754 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)N[C@H](Cn1nccn1)c1ccccc1 253402727 OOZCEXBBBSRQLJ-MRXNPFEDSA-N 391.258 3.521 0 40 GHAB O=C(O)[C@H]1CCN(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)C1 262994066 DXQIRDBZVXMLKL-JTQLQIEISA-N 385.367 3.767 0 40 GHAB O=S(=O)(c1c(F)cccc1F)N1CCC(CSc2ccccn2)CC1 90608078 OHLFPWXEBMYWQE-UHFFFAOYSA-N 384.473 3.553 0 40 GHAB CCc1cc2c(CN3CCN(c4ccc(F)cc4)CC3)cc(=O)oc2cc1O 54147534 VJXNEMLVHOVAOW-UHFFFAOYSA-N 382.435 3.522 0 40 GHAB biogenic COc1cc(NC(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)cc(Cl)c1OC 667287715 PZXPWRCKSZACSP-AMIZOPFISA-N 382.766 3.541 0 40 GHAB O=c1[nH]ncc(NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c1Cl 57148746 XRCHVBVVKIDKES-UHFFFAOYSA-N 388.682 3.890 0 40 GHAB Cc1ccc(N2CCC[C@H](C(=O)NCc3ccc(Cl)cc3Cl)C2)nn1 585235284 VMMIAFHQCUSTDS-AWEZNQCLSA-N 379.291 3.625 0 40 GHAB Cc1ccc(N(C(=O)c2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1C 5071201 KOEZDIZUPYTUTM-SFHVURJKSA-N 375.877 3.914 0 40 GHAB CC(=O)NC1(c2ccccc2F)CCN(Cc2ccc3c(c2)C[C@H](C)O3)CC1 12328866 BFLAWEJFVKXSHN-INIZCTEOSA-N 382.479 3.777 0 40 GHAB Cc1ccsc1C(=O)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19238548 IHQBOAFTRHUNRC-UHFFFAOYSA-N 395.410 3.533 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Cn2nc(C)c(C)c2C)c(OC)c1 19556774 MQJCPKMGAKOSMV-VLIAUNLRSA-N 385.508 3.825 0 40 GHAB O=C(CCCOc1cccc(F)c1)Nc1ccc([C@H]2CCc3nncn3C2)cc1 19699157 QPLMKPSLUPXBSM-KRWDZBQOSA-N 394.450 3.945 0 40 GHAB COc1cc2c(cc1OC)CCN([C@H](C(=O)O)c1cccc(Cl)c1)CC2 652402288 YDQBGERSCHNULQ-IBGZPJMESA-N 375.852 3.584 0 40 GHAB CCOCc1cc(CN2CC[C@@]3(CCc4ccccc4C(=O)N3)C2)ccc1OC 19531131 KWRNYICVGVDUQH-DEOSSOPVSA-N 394.515 3.552 0 40 GHAB Fc1ccc2nc(N3C[C@@H]4CN(c5ncccc5C(F)(F)F)C[C@@H]4C3)oc2c1 1888918078 XZPMOUKFRVJSME-TXEJJXNPSA-N 392.356 3.953 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)c(F)c3)on2)CC1 8587229 RZIITVNSMAMXBS-UHFFFAOYSA-N 395.434 3.760 0 40 GHAB Cc1c(C(=O)C(=O)N2CCN(c3ccccc3Cl)CC2)c2ccccc2n1C 4062438 OFLUAAFVOMKDQS-UHFFFAOYSA-N 395.890 3.672 0 40 GHAB O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)C1c2ccccc2Oc2ccccc21 5193467 IVYFDFYADNHIHE-MRXNPFEDSA-N 384.435 3.846 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 5188511 XPFZAXLWHBXWAS-OAHLLOKOSA-N 387.867 3.892 0 40 GHAB O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21 5136484 ABZSIDJHAKHPST-UHFFFAOYSA-N 396.921 3.892 0 40 GHAB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3cc(C)n(C)n3)sc2c1 9002390 OBLNZMMDMMVDOV-UHFFFAOYSA-N 393.472 3.589 0 40 GHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)c(OC)c1 12416170 LYUGIZDLZODMML-AWEZNQCLSA-N 379.416 3.583 0 40 GHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc(F)c(Cl)c1 15425187 DMRGFIMJGBVHEB-UHFFFAOYSA-N 379.800 3.962 0 40 GHAB CCc1nc2sc([C@H](c3ccc(C)cc3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 16690157 DNIVMLGDZJVAFY-VBQJREDUSA-N 386.521 3.566 0 40 GHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1 16837148 WTKQGWCMOOMLKR-GASCZTMLSA-N 390.480 3.745 0 40 GHAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 585147923 HUUKPZYEYHYYFM-SFHVURJKSA-N 398.846 3.697 0 40 GHAB COc1ccc2ccc(OC(=O)CN3C(=O)[C@@H](C)Oc4ccccc43)cc2c1 40024696 URCDUHWQOHYCPW-CQSZACIVSA-N 377.396 3.568 0 40 GHAB O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1n[nH]c(=O)c2ccccc12 31812122 BRZPRKLWYBXEKD-UHFFFAOYSA-N 384.367 3.577 0 40 GHAB CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(OC)cc2C)cc1 51355876 JOZKPHLTSHJBDD-UHFFFAOYSA-N 398.507 3.719 0 40 GHAB O=C(CCCc1nnc(-c2ccccc2)o1)NCc1nc2ccccc2s1 32475460 DPSOPEOAXQCJKC-UHFFFAOYSA-N 378.457 3.985 0 40 GHAB CCN1CCN(c2ccc(NC(=O)CCSc3ccc(OC)cc3)cc2)CC1 32847897 FQWWFFBBNSDDSV-UHFFFAOYSA-N 399.560 3.958 0 40 GHAB Cc1nc2ccccc2nc1COC(=O)c1ccc(OCC(F)(F)F)nc1 32885782 ATDXKAWVNIJFGG-UHFFFAOYSA-N 377.322 3.631 0 40 GHAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccnc(F)c3)c(C(F)(F)F)c2)n1 60318834 XTIJSTQXOHEBIW-UHFFFAOYSA-N 392.356 3.972 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 2640766 KESBAKSUENBERZ-UHFFFAOYSA-N 378.881 3.785 0 40 GHAB CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 3208319 BUEJAPJRAAQBNK-UHFFFAOYSA-N 392.546 3.911 0 40 GHAB CC(=O)N1CCc2cc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)ccc21 21915337 YOJUSDMUSQNJRE-UHFFFAOYSA-N 376.378 3.887 0 40 GHAB CCCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccncc1 4161392 GUMVLORJEBOEQC-UHFFFAOYSA-N 397.504 3.880 0 40 GHAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC[C@H](C(=O)NCC2CC2)C1 52929430 HQVQURZMNGQANV-JSGCOSHPSA-N 398.334 3.559 0 40 GHAB CCOC(=O)c1cnc(SC)nc1Oc1ccc2c(C)cc(=O)oc2c1C 642847 HZWOYSNIONNXQE-UHFFFAOYSA-N 386.429 3.891 0 40 GHAB CCc1nnc2c(N3CCN(c4cccc(C)c4)[C@H](C)C3)nc3ccccc3n12 6901672 OBJPHLRLJCNUJF-QGZVFWFLSA-N 386.503 3.863 0 40 GHAB CN1CCN([C@@H](CNC(=O)Nc2cccc(Cl)c2)c2cccs2)CC1 22424469 ZTRQUSVZZQEKGX-INIZCTEOSA-N 378.929 3.512 0 40 GHAB Cc1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc12 10434460 ACGKRCRFIVUFSZ-UHFFFAOYSA-N 383.256 3.944 0 40 GHAB O=C(NC/C(Br)=C\Br)Nc1cnc2ccccc2c1 8635258 WMMCKORFWLQKGZ-UXBLZVDNSA-N 385.059 3.988 0 40 GHAB C[C@H](NC(=O)c1cc2c(F)cccc2s1)c1ccc(S(C)(=O)=O)cc1 24211752 UBSBNHIVZFUODI-NSHDSACASA-N 377.462 3.935 0 40 GHAB CCN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(OC)c(F)c1 25051131 AQLDOVOVPKZPDO-UHFFFAOYSA-N 385.483 3.895 0 40 GHAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C34CCC(CC3)C4)cc2)c1C 3198486 FTFLECXZOZCMMY-UHFFFAOYSA-N 389.477 3.611 0 40 GHAB COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1OC 1460899 NVNULIDJXOPAFV-CQSZACIVSA-N 377.868 3.792 0 40 GHAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2cc(C)[nH]c2c1=O 57521878 IQAVQWZFDXFLFA-UHFFFAOYSA-N 390.896 3.746 0 40 GHAB Cc1nc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1 12507625 SSDOCUVCSXTITF-NSHDSACASA-N 380.839 3.596 0 40 GHAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(C[C@H]1CCCO1)C3 57111358 HNRINESKAYJYHG-GFCCVEGCSA-N 375.852 3.656 0 40 GHAB CN(C(=O)c1cccn(Cc2ccccc2)c1=O)c1nc2ccccc2s1 58163484 UWRGBLGKZADNHJ-UHFFFAOYSA-N 375.453 3.783 0 40 GHAB COc1ccc(Cc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)cc1 27693418 PGKQXXZBMMXBAB-UHFFFAOYSA-N 377.488 3.894 0 40 GHAB Cc1cccc(C)c1N(Cc1ccc(C(=O)NCC(C)C)cc1)S(C)(=O)=O 113966004 RSGJFLWNXQURGL-UHFFFAOYSA-N 388.533 3.655 0 40 GHAB CCS(=O)(=O)c1ccc2oc(=S)n(CN(C)Cc3ccccc3)c2c1 3243574 SPSDFSBXIWDZKF-UHFFFAOYSA-N 376.503 3.847 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc2c(c1)OCCO2 27977210 XLDWIGHQWFZGSP-UHFFFAOYSA-N 377.444 3.832 0 40 GHAB O=C(Nc1ccc(Cl)cc1Cl)c1c(-n2cnnn2)sc2c1CCC2 36360699 OQKYNQRKHMMYPB-UHFFFAOYSA-N 380.260 3.772 0 40 GHAB COc1ccc(Cn2c(N)c(C(=O)OC(C)C)c3nc4ccccc4nc32)cc1 2341338 VLISQTHXDOZKPO-UHFFFAOYSA-N 390.443 3.789 0 40 GHAB CC(C)C(=O)NCCNC(=O)c1ccccc1CSc1nc2ccccc2o1 36717358 GTIZYMBZRVPCMT-UHFFFAOYSA-N 397.500 3.622 0 40 GHAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1cccc(C(F)(F)F)c1 3313913 LOMAGXIANLSJDV-UHFFFAOYSA-N 385.363 3.912 0 40 GHAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCCc1ccc(F)cc1 3360816 YMMFTHVHOBLMNG-UHFFFAOYSA-N 376.431 3.581 0 40 GHAB CC[C@H](Oc1ccccc1)C(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 12795689 FTKQOLVINFRPOY-KRWDZBQOSA-N 398.484 3.536 0 40 GHAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)COc3cccc(F)c3)n2)C1 12780720 XIIWZYZDMHRBJK-ZIAGYGMSSA-N 377.485 3.778 0 40 GHAB CC(C)n1ncc2cc(NC(=O)Nc3cnn(Cc4ccccc4)c3)cnc21 48333860 YGQJNPMDVPHKRJ-UHFFFAOYSA-N 375.436 3.901 0 40 GHAB CC1(C)CN(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)[C@@H]1c1ccccc1 48303023 QKXUDJMTLSTYIS-OAQYLSRUSA-N 376.456 3.559 0 40 GHAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1cc(Cl)cc(Cl)c1 3436676 OLICVOKVQAICCR-DUXPYHPUSA-N 394.210 3.917 0 40 GHAB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccccc1Oc1ccccc1 3590979 YCQHSFXAOVZHSC-UHFFFAOYSA-N 390.226 3.981 0 40 GHAB Cc1ccc2c(CN3C(=O)N[C@](C)(c4ccccc4Cl)C3=O)cc(=O)oc2c1 3516703 VULOXTARSWVKSQ-OAQYLSRUSA-N 396.830 3.722 0 40 GHAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(Br)cc2)C1=O 12998893 HZHIFSOVHGGOES-GFCCVEGCSA-N 389.249 3.592 0 40 GHAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H](Cc1ccccc1)n1cnnn1 9547292 CGCTWMXVOWHXAQ-OAQYLSRUSA-N 385.427 3.888 0 40 GHAB C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2c(c1)OCCO2 6060456 VWPCEUZGNWNIRT-JTQLQIEISA-N 396.226 3.949 0 40 GHAB C[C@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)NCc1ccccc1 4220923 ASQCBQVUIIOLPQ-INIZCTEOSA-N 375.424 3.921 0 40 GHAB C[C@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(N2CCCCC2)cc1 6129736 XSMAPACFBLHKSZ-AWEZNQCLSA-N 385.537 3.802 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060428 VHPSUDRWULOSHT-JTQLQIEISA-N 391.262 3.515 0 40 GHAB O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1)c1cccc(Cl)c1 13944271 NKQIQGJPKMGAIJ-CYBMUJFWSA-N 398.875 3.964 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCCOc2ccc(Br)cc2)cc1 6347715 ZPCOVFVWBQJMSS-UHFFFAOYSA-N 378.222 3.643 0 40 GHAB Cc1nn2c(C)c(C(=O)Nc3ccc(F)cc3)nnc2c1-c1ccc(F)cc1 9134442 IQWCPGUCVCLUQE-UHFFFAOYSA-N 379.370 3.939 0 40 GHAB CCCCOc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1OC 14119291 OZJLLUDHJVPGQU-UHFFFAOYSA-N 385.460 3.918 0 40 GHAB O=C(O)CN1C(=O)S/C(=C/c2ccccc2OCc2cccc(F)c2)C1=O 4690907 NMINFSGZGOCOQP-CXUHLZMHSA-N 387.388 3.526 0 40 GHAB CCc1ccc2oc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc(=O)c2c1 6660225 OPMVBHRPTSWECO-UHFFFAOYSA-N 396.468 3.647 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc2C1)c1cccs1 6602283 JTJLVGZNMQRFAB-FQEVSTJZSA-N 390.508 3.674 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(C)cc1)S2 6812095 SGEKFHNVZUHPPW-ROUUACIJSA-N 397.479 3.686 0 40 GHAB CC[C@H]1CCCCN1CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 6996508 LKFDRYBQPWAZAE-XUZZJYLKSA-N 391.515 3.898 0 40 GHAB Cc1cccc2c(=O)[nH]c(CNc3ccccc3C(=O)NCc3ccccc3)nc12 7322638 CJVGLRGGWHDUOR-UHFFFAOYSA-N 398.466 3.774 0 40 GHAB CC(C)Cn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccco1 7344350 BHDIHJFPSBOPNY-UHFFFAOYSA-N 381.461 3.723 0 40 GHAB COc1ccc(-c2nc(CNC(=O)COc3ccccc3OC)cs2)cc1 15832662 FNWWZOJKCCAHTD-UHFFFAOYSA-N 384.457 3.523 0 40 GHAB O=C1CCCN1c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 7726720 KLBNYFPFEIOVHI-UHFFFAOYSA-N 384.379 3.633 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N(C)Cc1cccc(Cl)c1 7916942 FZGKQWFXDZSYSU-INIZCTEOSA-N 387.911 3.532 0 40 GHAB O=C(C[C@H]1SC(NC2CC2)=NC1=O)Nc1ccc(Oc2ccccc2)cc1 7987352 BRBSIEZYCIHXQF-QGZVFWFLSA-N 381.457 3.558 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nnnn1C1CC1)c1ccccc1 8230982 FGTXVDKNPGMUFK-GOSISDBHSA-N 395.488 3.797 0 40 GHAB CN(C)c1cccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c1 19819296 YXVDVVUVARPBQS-UHFFFAOYSA-N 386.455 3.603 0 40 GHAB CCOc1ccc(OC(C)(C)C(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 17346395 MLWRTOWAZUVQCL-UHFFFAOYSA-N 386.448 3.848 0 40 GHAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)c(C)c1 96686933 INGDTEXDKUNPOF-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CN1CCCc2sccc2C1=O 84129085 LYHJIOXDHQEYFJ-MRXNPFEDSA-N 386.517 3.868 0 40 GHAB NC(=O)NCc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 95381805 RBUGSPKEESLCIV-CABCVRRESA-N 377.366 3.616 0 40 GHAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@@H](c2cccc3nccnc23)S1 95473145 XCMSHEXMGMBECB-QGZVFWFLSA-N 381.461 3.770 0 40 GHAB CCCN1CCC(N2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)CC1 95958614 HUGIARVSMQJWII-UHFFFAOYSA-N 390.380 3.687 0 40 GHAB Cc1ccc(SCCC(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1 9903895 UGWGRECQQGJZIX-UHFFFAOYSA-N 383.517 3.815 0 40 GHAB Cc1ccc(NCc2ccc(OCC(N)=O)c(Br)c2)cc1Cl 408556371 KAGPDMDMCBUOII-UHFFFAOYSA-N 383.673 3.887 0 40 GHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2CN(Cc3ccccn3)C[C@H]21 306130782 JPHWQYBFLPDZDM-AZUAARDMSA-N 382.510 3.565 0 40 GHAB CCOc1ccccc1NC(=O)N1CCC(NC(=O)c2ccc(OC)cc2)CC1 35289071 QVXXOLHPCJWJDL-UHFFFAOYSA-N 397.475 3.520 0 40 GHAB O=C(O)CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2F)C1=O 409147653 NDBRGZIOKOLFDW-CXUHLZMHSA-N 387.388 3.526 0 40 GHAB O=C(N[C@H]1CC[C@H](O)CC1)c1ccccc1SCc1cn2ccccc2n1 512627642 AOADXTKQKDAXPP-JCNLHEQBSA-N 381.501 3.660 0 40 GHAB CCS(=O)(=O)Cc1ccc(NC(=O)c2ccsc2C(F)(F)F)cc1 529471432 KEFSAGLOBCCNDY-UHFFFAOYSA-N 377.409 3.954 0 40 GHAB CCOC[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218515712 KFKQMMJQLBWYJP-HSALFYBXSA-N 393.936 3.570 0 40 GHAB COC(=O)c1ccc([C@H](C)Sc2nnc([C@@H]3COc4ccccc4O3)o2)o1 31847026 DUCMXOIOJJUUNI-BONVTDFDSA-N 388.401 3.815 0 40 GHAB Cc1nc(C(=O)N2CCC[C@H](c3cccc(-n4ccnc4C(C)C)n3)C2)co1 72379259 UBODJVQTOATAGY-INIZCTEOSA-N 379.464 3.707 0 40 GHAB O=C(c1ccncc1)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 72378155 CSZWEQNKKHKVGR-MRXNPFEDSA-N 396.878 3.709 0 40 GHAB COc1cccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)CN4CCCC4)C3)c2)c1 72370059 PYLJBPLFDYPJJL-HXUWFJFHSA-N 393.531 3.867 0 40 GHAB Nc1ncc(-c2ccccc2F)c([C@H]2CCCCN2C(=O)c2cccnc2)n1 72376944 UFYKBQPPGRMDOX-GOSISDBHSA-N 377.423 3.627 0 40 GHAB O=C(NCCc1ccccn1)Nc1ccc(Br)cc1Br 40098252 RGVLKJHJOYBPOL-UHFFFAOYSA-N 399.086 3.971 0 40 GHAB Cc1ccccc1CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 223132493 BNJXLICFLKMULX-LJQANCHMSA-N 380.532 3.912 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 222954996 DLFALWPBTQNINJ-HXUWFJFHSA-N 384.545 3.863 0 40 GHAB Cc1cc(C)n(-c2ccc(CCC(=O)NCCOc3ccc(F)cc3)cc2)n1 225604674 MSQZQYQJAYWSBI-UHFFFAOYSA-N 381.451 3.756 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 194864485 ATOTZOGSBXUAME-ZDUSSCGKSA-N 378.519 3.738 0 40 GHAB CCOc1ccc(NC(=O)N2CC(c3nc(Cc4ccccc4)no3)C2)cc1 77190752 ONBCNJUBAMKNND-UHFFFAOYSA-N 378.432 3.690 0 40 GHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C 223456454 MEKMAFBBEHTZFP-UXHICEINSA-N 377.517 3.605 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 223591269 ZHQQSGXXDLGIFT-IBGZPJMESA-N 382.504 3.544 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)c(Cl)c1 44883578 WAFNSTMVTQINGU-LBPRGKRZSA-N 377.824 3.931 0 40 GHAB O=C(C[C@H]1CC2(CCN(C(=O)C3CCC3)CC2)Oc2ccccc21)NCC1CC1 96079917 NYSVFHUWMBUNCL-IBGZPJMESA-N 396.531 3.630 0 40 GHAB Cc1cnc2cc(C(=O)N3CCC(CN(C)Cc4ccccc4)CC3)ccn12 579970711 JGXCTMWKIOOZIN-UHFFFAOYSA-N 376.504 3.627 0 40 GHAB Cc1noc([C@H]2CCN(C(=O)Nc3c(-c4cccs4)nc4ccccn34)C2)n1 580010898 OOIKOEWTJMLNDW-ZDUSSCGKSA-N 394.460 3.776 0 40 GHAB CSCC[C@H](NC(=O)Cn1ccc2c(C)cccc21)c1nnc2ccccn12 96117759 CZTBSQKBNKDACQ-KRWDZBQOSA-N 393.516 3.603 0 40 GHAB Cc1ccc(NC(=O)N[C@H]2CCN(Cc3noc(-c4ccccc4)n3)C2)cc1C 98212953 OAKNOAUGSBHSRB-IBGZPJMESA-N 391.475 3.749 0 40 GHAB COc1cccc(O[C@H]2CCN(C(=O)c3cc4cc(C)ccc4o3)CC[C@@H]2O)c1 257275442 NPKZMFUFGXIFNN-FPOVZHCZSA-N 395.455 3.794 0 40 GHAB Cc1ncncc1C(=O)N1CCC[C@@]1(C)c1ncc(Cc2cccc(F)c2)o1 257253868 KAPCWWYFAYFKEH-NRFANRHFSA-N 380.423 3.654 0 40 GHAB Cc1nc(-c2nccn2C)cc([C@H]2CCCCN2C(=O)c2ccccc2F)n1 257312200 UMVQCYRUQQJEJR-LJQANCHMSA-N 379.439 3.692 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@@H](Cc2cnc(-c3ccccc3C(=O)O)cn2)C1 257311138 UIDZJZRASLJVST-HNNXBMFYSA-N 381.476 3.669 0 40 GHAB Cc1cccc(S(=O)(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)c1 90607149 VRNZGRKTIKLAEK-UHFFFAOYSA-N 396.516 3.847 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390831997 WNZVDDSTNQNFLZ-GNISGLHKSA-N 389.904 3.742 0 40 GHAB O=C(N1CC[C@@H](OCc2ccncc2)[C@H](Cc2ccccc2)C1)C1(F)CCC1 585113419 DLKIFQFKNMPOGT-NHCUHLMSSA-N 382.479 3.950 0 40 GHAB COC[C@H]1CN(Cc2csc(C)n2)CC12CCN(CC1CCCC1)CC2 585102897 HHGOUBYOWMDRDZ-LJQANCHMSA-N 377.598 3.802 0 40 GHAB C[C@@]1(C(=O)Nc2n[nH]c(-c3ccc(O)c(Cl)c3)n2)CCc2ccccc2C1 1650958617 PIRACCCRXGNVKR-HXUWFJFHSA-N 382.851 3.964 0 40 GHAB O=C(COc1ccc(I)cc1)N1CCCc2ccccc21 5050547 MNVLQQDRKZCRPK-UHFFFAOYSA-N 393.224 3.649 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@@H](c2nc(N3CCCC3)ncc2-c2cccnc2)C1 12119432 HPNYACIHCGJTLN-GOSISDBHSA-N 393.535 3.891 0 40 GHAB COc1ccc(OCCCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 13012820 SGVZLESRLJUWSW-UHFFFAOYSA-N 390.867 3.605 0 40 GHAB COc1ccccc1NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 13609762 LGWIMIROXDOMRA-UHFFFAOYSA-N 390.486 3.558 0 40 GHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)Cc2c(F)cccc2Cl)c1 13612461 HTEOGWIOSMUHDJ-UHFFFAOYSA-N 385.844 3.906 0 40 GHAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)c1 14398620 GKCVSTDVLPKAHA-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB Cc1cc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)c(C)n1Cc1ccco1 16694520 JUHGCHVBIHKZCN-OAQYLSRUSA-N 392.455 3.923 0 40 GHAB COc1ccc(CCNC(=O)Cc2csc(-c3cccs3)n2)cc1OC 17339677 CHLGFDGGZRNILF-UHFFFAOYSA-N 388.514 3.790 0 40 GHAB Cc1cc2nc3c(c(O)n2n1)C[C@H]1CC[C@@H](C3)N1Cc1ccc(OC(C)C)cc1 19130161 XACLLCBHLYTWQT-MSOLQXFVSA-N 392.503 3.662 0 40 GHAB COC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc(C(=O)OC)c1 19163930 MMDWREFCCQSURW-ZDUSSCGKSA-N 387.457 3.688 0 40 GHAB Cc1cccc(C(=O)N2CCCC[C@@H]2CCn2nc3c(cc2=O)CCCCC3)c1 19234408 QGWOITJQLJNVMJ-OAQYLSRUSA-N 393.531 3.906 0 40 GHAB COCCCN(Cc1nc(-c2cccnc2Cl)no1)[C@H](C)c1ccccn1 19459538 RQLJQBHVUNZWLC-CQSZACIVSA-N 387.871 3.780 0 40 GHAB Cc1cc(C)n(C[C@@H](O)CN(Cc2ccco2)Cc2cn(C)c3ccccc23)n1 19573775 RHXNMXQTEQIVAK-FQEVSTJZSA-N 392.503 3.648 0 40 GHAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CC2)C1 19579653 IUANGKUGSCYPBJ-XMMPIXPASA-N 376.500 3.613 0 40 GHAB Cc1ccc(C)c(-n2ccc3nc(N4CCc5ccccc5C4)ncc3c2=O)c1 19959033 ITKVSTOKFUTBNZ-UHFFFAOYSA-N 382.467 3.960 0 40 GHAB COc1ccc(Br)cc1C(=O)n1c(C)c(C(N)=O)c2ccccc21 226367121 SEHUHNOWBGIOHV-UHFFFAOYSA-N 387.233 3.508 0 40 GHAB COc1cncc(C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)n1 618238236 UUXPFPMAFSDSGN-SFHVURJKSA-N 395.381 3.621 0 40 GHAB O=C(CCn1c(C(F)(F)F)cc2cccnc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 12089730 MZYROFZIEGTTBV-BEFAXECRSA-N 395.425 3.599 0 40 GHAB Cc1ccc(CC(=O)N[C@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)cc1 12337185 OQMANBPBZBXQFB-RDPSFJRHSA-N 392.499 3.559 0 40 GHAB O=C(c1cc(Cl)ncc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1 780186273 GGQJIVKTGBRMAH-UHFFFAOYSA-N 384.694 4.000 0 40 GHAB CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)/C=C/c2cccc(F)c2)cc1 6906368 BIBRTQHSNQBPSB-KPKJPENVSA-N 383.419 3.636 0 40 GHAB Cc1noc(C)c1-c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)o1 1889019021 NIXAYDFSNWMAFE-UHFFFAOYSA-N 391.786 3.599 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC[C@H]3NC(=O)CCc3ccccc3)CC2)o1 1614940606 RCFTUJUFAJQAMS-HXUWFJFHSA-N 380.488 3.722 0 40 GHAB O=C(COc1ccccc1)Nc1cccc(NC(=O)COc2ccccc2)c1 4086467 YRUSVVDERGBZBF-UHFFFAOYSA-N 376.412 3.722 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 5298924 KXEJQMKSHLZFPD-CQSZACIVSA-N 398.937 3.810 0 40 GHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21 8768754 HOAKRKSQXUSGQX-UHFFFAOYSA-N 396.871 3.969 0 40 GHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21 12180367 MQUJCPRLKHEDPX-UHFFFAOYSA-N 378.881 3.830 0 40 GHAB CC(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 27981082 KJXWSYMXRPCCCZ-INTXDZFKSA-N 390.520 3.805 0 40 GHAB in-vitro CCOc1ccc(-c2noc(-c3nn(-c4cc(C)cc(C)c4)ccc3=O)n2)cc1 49006351 ROXWDJNMKWFIQI-UHFFFAOYSA-N 388.427 3.965 0 40 GHAB C[C@H](Cc1csc2ccccc12)NS(=O)(=O)c1ccc(-n2cccn2)cc1 575622565 ZVOCBIZIBHJVIG-OAHLLOKOSA-N 397.525 3.997 0 40 GHAB O=C(NCCSc1ccc(Cl)cc1)NCc1ccc(-n2cccn2)nc1 32794897 MHLDLOIEXYLBMI-UHFFFAOYSA-N 387.896 3.512 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2nc(Cl)ccc2Cl)c1C 2633452 QYJHQGXHRCWGQM-UHFFFAOYSA-N 399.230 3.550 0 40 GHAB O=C(Nc1ccc2c(c1)CCC2)c1cccc(S(=O)(=O)N2CCCCC2)c1 2659035 NLVCZYMUQLITCS-UHFFFAOYSA-N 384.501 3.602 0 40 GHAB Cc1ccc(F)c(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)c1 2763560 PKSWTOWLTSWLMG-UHFFFAOYSA-N 378.201 3.987 0 40 GHAB Cc1cccc(C)c1N(CC(=O)Nc1cccc2ccccc12)S(C)(=O)=O 1098397 KONIQIBEOUVSMA-UHFFFAOYSA-N 382.485 3.861 0 40 GHAB Cc1nn(-c2ccc(F)cc2F)c2c1[C@@H](c1cnn(C)c1)SCC(O)=N2 79484304 PLBMZRHPLMENHE-MRXNPFEDSA-N 375.404 3.617 0 40 GHAB CN1CCC(N2C[C@@H]3C[C@H](C2)c2c(-c4ccc(Cl)cc4)ccc(=O)n2C3)CC1 4237525 VAMGWAIDPBZCHQ-FUHWJXTLSA-N 397.950 3.682 0 40 GHAB biogenic,in-vitro O=C(/C=C(\Cl)c1ccc2c(c1)OCO2)OC/C=C\c1ccc2c(c1)OCO2 4991735 NIZSOWOMFVJWID-BHNYSOTBSA-N 386.787 3.980 0 40 GHAB COc1ccc(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1OC 4998191 AGKBRKKOVIDRMK-UHFFFAOYSA-N 395.459 3.981 0 40 GHAB O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc2c(c1)OCCO2 7405712 BJAOPHBMDRZDQI-UHFFFAOYSA-N 393.770 3.931 0 40 GHAB CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccccn1 684731 KNJWLOJZMVDMMN-IBGZPJMESA-N 393.472 3.880 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)Cc1c[nH]c2ccccc12 22615017 KJFDAQOIRNWSTI-UHFFFAOYSA-N 388.826 3.705 0 40 GHAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccc(Cl)s1 8161206 LTYNOYNXDPRAMP-UHFFFAOYSA-N 397.953 3.511 0 40 GHAB Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2cc(C)ccc2C)c1 8417631 JYNPMVHDONYROD-UHFFFAOYSA-N 382.460 3.903 0 40 GHAB COc1ccc(COC[C@@H](O)CN(C)[C@@H](C)c2ccc(F)c(F)c2)cc1OC 23356014 RKWYQOQBMDMBII-YOEHRIQHSA-N 395.446 3.553 0 40 GHAB C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccccc1F)C(=O)N1CCSc2ccccc21 83927576 MBGYKYCLPFPOJM-IMJJTQAJSA-N 385.460 4.000 0 40 GHAB O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1C(=O)c1ccccc1 3233961 GCPSVRLUPXUJIY-UHFFFAOYSA-N 385.419 3.664 0 40 GHAB C[C@H](Oc1ccc(C(=O)NCc2ccnc(N(C)C)c2)cn1)c1ccccc1 48299779 GPSVONQXEKCVRQ-INIZCTEOSA-N 376.460 3.613 0 40 GHAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1ccncc1 28234853 GGKCDEYKRURUCO-QMMMGPOBSA-N 377.164 3.568 0 40 GHAB FC(F)Oc1ccc(-n2nnnc2COc2ccccc2Br)cc1 59926730 MIRZJUCEYFTMRI-UHFFFAOYSA-N 397.179 3.605 0 40 GHAB CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cn1 44843653 NPPFDHZLEBLAHO-UHFFFAOYSA-N 385.445 3.873 0 40 GHAB Cc1nc(CSc2ccccc2C(=O)N[C@@H]2CCOc3ccccc32)no1 12787037 JBHNCSSKXSAJGM-MRXNPFEDSA-N 381.457 3.924 0 40 GHAB C/C=C/c1ccc(OC[C@H](O)CSc2nnc(NCC)s2)c(OC)c1 12772827 HDOYUTHMCFBGHR-BPJJOFIESA-N 381.523 3.544 0 40 GHAB CCn1cc(CNc2nc(-c3cccc(OC)c3)cc(C(F)(F)F)n2)cn1 36613932 SKWNHKWTJVINNX-UHFFFAOYSA-N 377.370 4.000 0 40 GHAB CC(C)CCC[C@H](C)NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 36745064 KFYFTHKYGNWVPT-SBUREZEXSA-N 399.535 3.707 0 40 GHAB COc1cc(CN(C)C(=O)CCc2nc3ccccc3[nH]2)ccc1OC(F)F 11593387 FDVKEQYYUWIPGE-UHFFFAOYSA-N 389.402 3.764 0 40 GHAB COc1ccccc1OCCn1c(CNC(=O)c2ccco2)nc2ccccc21 11667190 AFJFTCLAXPOTSQ-UHFFFAOYSA-N 391.427 3.647 0 40 GHAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1c(-c2ccccc2)[nH]c2ccccc12 12816500 KSRACDFKTYPFNS-IAGOWNOFSA-N 384.435 3.969 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)c2ccc[nH]2)nnc1-c1ccncc1 3428621 NZTPDLMODUVWGY-UHFFFAOYSA-N 375.457 3.941 0 40 GHAB CSc1ccc(Cl)c(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1 3415607 MTTCIIINAMVVSH-UHFFFAOYSA-N 378.833 3.873 0 40 GHAB CCN(C(=O)COc1ccc(C(=O)Nn2c(C)ccc2C)cc1)c1ccccc1 12945289 JDKVNIRHLOBUKP-UHFFFAOYSA-N 391.471 3.921 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1NC(C)=O 22537945 IYELDCWJLJWXLE-OAHLLOKOSA-N 390.505 3.618 0 40 GHAB Cc1ccc(-c2nc(C[S@@](=O)[C@H](C)C(=O)Nc3cc(C)on3)cs2)cc1 71801249 IPHFQDZCLXFJLR-SRGMZFCMSA-N 389.502 3.691 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2n[nH]c(COc3ccccc3F)n2)c1 408526907 HXRQEDZBTCBMIK-UHFFFAOYSA-N 386.452 3.870 0 40 GHAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1nc(-c2ccccn2)cs1 13200922 QXIHBBKYGYWLJI-UHFFFAOYSA-N 395.469 3.986 0 40 GHAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccc5c(c4)OCO5)[C@H]3C=C12 4043438 PZQGPNVZQAVIQA-NTWJOZFCSA-N 381.472 3.739 0 40 GHAB biogenic COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 4017487 KVOPAWWXZAQLDK-PBVNKPPYSA-N 380.488 3.585 0 40 GHAB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N(C)c1ccccc1 5018605 KSGUCHGPRYHVIW-LBPRGKRZSA-N 383.429 3.609 0 40 GHAB CCCOc1ccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 13757730 WMCIBRQNBXIUJL-BOPFTXTBSA-N 397.887 3.808 0 40 GHAB O=C(CSc1nc(CC2CCCC2)n[nH]1)NCCc1ccc(Cl)cc1 14092844 IOXNVXIIVLAZMM-UHFFFAOYSA-N 378.929 3.642 0 40 GHAB COc1ccc(-c2csc(NC(=O)Cn3c(=O)sc4ccccc43)n2)cc1 9059053 ISFHQKURXPDLKW-UHFFFAOYSA-N 397.481 3.834 0 40 GHAB CC(C)(NC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)c1ccc2c(c1)OCO2 65536893 FQTPTVNYDXJEHW-CQSZACIVSA-N 392.864 3.675 0 40 GHAB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1C[C@H]1CCCO1 4581416 IJCFBAHRUXUTLU-MRXNPFEDSA-N 387.501 3.874 0 40 GHAB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1ccccc1C(F)(F)F 6508215 FVADFBMCPQROIO-UHFFFAOYSA-N 391.378 3.960 0 40 GHAB CC(C)CCNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(=S)[nH]c2c1 6653406 ZMBYWLODGHKMDT-UHFFFAOYSA-N 381.501 3.883 0 40 GHAB C[C@H](NC(=O)CCNC(=O)NC1CCCCC1)C12CC3CC(CC(C3)C1)C2 14898500 IDRJLRXSRCVOGR-BZSISCHUSA-N 375.557 3.730 0 40 GHAB COc1ccccc1-n1cnnc1SCC(=O)Nc1cc(Cl)ccc1C 4895106 UJTANTLJLHAPMF-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(F)c1 6866467 GXHXTIVBIAGAFL-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB COc1cc2c(cc1OC)CN(Cn1nc(-c3ccccc3)n(C)c1=S)CC2 7076456 RPJUANAXBLFBEM-UHFFFAOYSA-N 396.516 3.651 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)NC1CCCCCC1 7376052 XTAZMNXWFDPPGW-UHFFFAOYSA-N 376.316 3.849 0 40 GHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)n2)cc1OC 7615839 QFAOBCDIWDATEQ-INIZCTEOSA-N 393.443 3.891 0 40 GHAB O=c1oc2cc(OCc3cc(=O)n4ccsc4n3)ccc2c2c1CCCCC2 7984908 FJADCBJNCODIHL-UHFFFAOYSA-N 394.452 3.710 0 40 GHAB CCCn1c(=O)n(CCC(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc21 16699637 SFFMMOZVLHIHTB-UHFFFAOYSA-N 387.867 3.904 0 40 GHAB CC(=O)c1s/c(=N\C(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)[nH]c1C 9484731 VGCVDIKZOOXOLF-UHFFFAOYSA-N 381.457 3.862 0 40 GHAB COc1ccc(CSc2nnc(Nc3ccccc3Cl)c(=O)n2C)cc1 28537073 BOUHBZVWIOZBMR-UHFFFAOYSA-N 388.880 3.873 0 40 GHAB Cc1cccc(-c2nnc(S[C@@H](C(=O)NC3CC3)c3ccccc3)n2C)c1 17539823 YIXAABBOMFZMSB-GOSISDBHSA-N 378.501 3.903 0 40 GHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)COc3ccccc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409085625 DZOWTCIRSRTAIJ-MUKKUYKPSA-N 398.425 3.977 0 40 GHAB CC(C)C(=O)N1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 9579221 NGKMBRNAPFFBOS-HXUWFJFHSA-N 399.922 3.939 0 40 GHAB COC(=O)c1ccc(CN(C)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 96998299 RHPQMOWJGSWPLQ-UHFFFAOYSA-N 382.445 3.656 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC 408587184 RZPREAAQUDTYDE-UHFFFAOYSA-N 382.413 3.594 0 40 GHAB CN(c1ccccc1Oc1ccccc1)S(=O)(=O)c1cn2c(n1)CCCC2 502798090 YSKAUMTXZCCJCM-UHFFFAOYSA-N 383.473 3.837 0 40 GHAB O[C@@H](CN[C@@H]1CCOC2(CCSCC2)C1)Cc1ccc(C(F)(F)F)cc1 515638088 QELZJORVHYHCPQ-IAGOWNOFSA-N 389.483 3.643 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1C 33761400 OXARLDCPJBMDQR-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB CCOc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 72393204 LOUJEJPEDPEJNE-SFHVURJKSA-N 390.487 3.610 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCC1=CCCCC1 408550145 AEJMMJVLINUNNL-MRXNPFEDSA-N 386.517 3.513 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc(S(C)(=O)=O)cc1 219074828 QCNSQNHCXUKZFX-QFBILLFUSA-N 389.517 3.742 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)Cc1cccc(C(F)(F)F)c1 39995671 VRANRFPBMMBIGI-UHFFFAOYSA-N 392.421 3.743 0 40 GHAB CN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)C1CCCCC1 30758728 FVIWJKDLTTXWAZ-UHFFFAOYSA-N 386.517 3.916 0 40 GHAB Cc1ccc(N2C(SCc3cccc(C)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1 32641225 ZXXDXUZVKYYCQZ-RBUKOAKNSA-N 386.542 3.578 0 40 GHAB CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 218963293 IMLUWWRVMFRMOC-HXUWFJFHSA-N 389.517 3.860 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 219293005 QBMKIHBOYWDDDG-FZKQIMNGSA-N 395.908 3.778 0 40 GHAB Cc1ccc(-c2ccc3nn(Cc4cccc(Br)c4)c(=O)n3n2)cc1 49399387 NPTNIELBXZAJRY-UHFFFAOYSA-N 395.260 3.677 0 40 GHAB CCn1cc(-c2nn3c(-c4ccc(Br)s4)nnc3s2)cn1 44902129 DEOROYJDAPGMRD-UHFFFAOYSA-N 381.284 3.560 0 40 GHAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 44904530 LZFMVWJPIIQFBO-QGZVFWFLSA-N 389.455 3.726 0 40 GHAB Cc1cc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)ccc1F 224853960 RGNVAQMEZGYFIS-UHFFFAOYSA-N 376.497 3.599 0 40 GHAB Oc1cccc(CN2CCN(C(=S)Nc3ccc(C(F)(F)F)cc3)CC2)c1 225221636 POCYNPLSVHNUDT-UHFFFAOYSA-N 395.450 3.926 0 40 GHAB O=C(COc1ccc(Cl)c2cccnc12)NC[C@@H]1COc2ccccc2C1 48270688 NDURGXKOJYCHMD-CQSZACIVSA-N 382.847 3.635 0 40 GHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C(C)C 223263756 QGIFHVCJTHMERA-UXHICEINSA-N 385.581 3.615 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C 224224913 HSXZNPLJKXZHTQ-HXUWFJFHSA-N 382.504 3.626 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 42645610 FGNVLTPYQOOELD-UHFFFAOYSA-N 390.867 3.514 0 40 GHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCCc1ccccc1 222980850 GOAVSJLHNVPIBJ-SFHVURJKSA-N 382.504 3.571 0 40 GHAB COc1cccc(CCNC(=O)CCc2ccc(-n3nc(C)cc3C)cc2)c1 225604963 MNQHDFRRFAOGHJ-UHFFFAOYSA-N 377.488 3.789 0 40 GHAB O=C(NCc1ncc(C(F)(F)F)cn1)N1C[C@H](c2ccccc2)C2(CCC2)C1 576958895 ZKHKDCIXIGDRRM-MRXNPFEDSA-N 390.409 3.975 0 40 GHAB O=C(c1ccsc1)N1CCC2(CC1)CN(c1ncccn1)c1ccccc12 96241325 QARUFJHZOYQEHM-UHFFFAOYSA-N 376.485 3.864 0 40 GHAB C[C@H]1[C@H](NC(=O)c2cccc(C(F)F)c2F)CC(=O)N1Cc1ccccc1 529261386 MXUBUFMZSMDGCG-BLLLJJGKSA-N 376.378 3.683 0 40 GHAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(c2ncc(C(=O)O)s2)CC1 630243043 RAHBVYGQAFTWIO-UHFFFAOYSA-N 399.394 3.583 0 40 GHAB O=C(CC1C2CC3CC(C2)CC1C3)N1CCn2c(Cc3ccccc3)nnc2C1 649768146 PETOTDJBQYCCFX-UHFFFAOYSA-N 390.531 3.674 0 40 GHAB Cc1ncc(CN(CCO)C(=O)Cn2c3ccccc3c3cc(Cl)ccc32)[nH]1 1704327749 IRMZAWGDTHYWKP-UHFFFAOYSA-N 396.878 3.501 0 40 GHAB O=C(C1CC(F)C1)N1CC[C@@H](OCc2cccnc2)[C@H](Cc2ccccc2)C1 585113460 KRPFVAJAKAADQA-JYAXOCDNSA-N 382.479 3.806 0 40 GHAB Cc1ccccc1OCC(=O)N1CCC[C@]12CCCN(c1ncncc1C)CC2 585100053 DICMJLRZMMCDAO-QHCPKHFHSA-N 394.519 3.524 0 40 GHAB CSc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 72393225 SEALSHWZDSLZBA-QGZVFWFLSA-N 392.528 3.933 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)n1 1615156378 JEXJDKHECAJPPY-PMACEKPBSA-N 384.499 3.688 0 40 GHAB C[C@@H](c1ccccc1)n1c(SCC(=O)N2CCCC2)nc2ccccc2c1=O 5103366 OXDPJYXSZOJOFM-INIZCTEOSA-N 393.512 3.720 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 5448256 ZQILUICFABLBBW-SWLSCSKDSA-N 378.929 3.923 0 40 GHAB COc1ccc(CN2Cc3cc4ccc(OC)cc4nc3O[C@H](C)C2=O)cc1 12115585 GXAMUBZVFUBXBA-CQSZACIVSA-N 378.428 3.562 0 40 GHAB CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712177 PILDAZJVEBMCSA-GOSISDBHSA-N 394.924 3.509 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1 14401131 QOWLWKDOZXTBRI-UHFFFAOYSA-N 396.443 3.502 0 40 GHAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)c3cccs3)CC2)C1 19019829 UHZICBGCGGEMGV-UHFFFAOYSA-N 398.528 3.943 0 40 GHAB Cc1nnnn1-c1ccc(CC(=O)N[C@H](C)c2cc3cc(Cl)ccc3o2)cc1 19288431 RRTRXZAGYUOBKE-GFCCVEGCSA-N 395.850 3.790 0 40 GHAB C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 19457690 USRRHDYROXXLNE-INIZCTEOSA-N 381.451 3.882 0 40 GHAB CCc1cc(C(=O)Nc2nc(-c3cn(C)nc3C)cs2)c2c(C)noc2n1 19714503 RQAYGSNXRGIBCU-UHFFFAOYSA-N 382.449 3.511 0 40 GHAB CCn1cc(-c2cc(NCC3(c4cccc(F)c4)CCOCC3)nc(C)n2)cn1 19717901 PKAKXQMTZWCWJU-UHFFFAOYSA-N 395.482 3.968 0 40 GHAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)cc2o1 19936437 RKIFLBNGRKMZES-UHFFFAOYSA-N 382.397 3.714 0 40 GHAB CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(c4ccccc4)CC3)C2=O)cc1 6667764 GNJFDYDRTZJDFD-JOCHJYFZSA-N 392.499 3.987 0 40 GHAB CCSc1ccccc1C(=O)Nc1cc(C2CC2)nn1-c1nc(C)cc(=O)[nH]1 12123802 IUXZBTGREIZKBT-UHFFFAOYSA-N 395.488 3.506 0 40 GHAB CCN1CCN(C[C@H](O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 22918288 ZRKUPALXWBWCIU-IBGZPJMESA-N 376.585 3.659 0 40 GHAB Cc1cc(O[C@@H]2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C2)nc(C)n1 585147317 APROKILJXNPHHU-QGZVFWFLSA-N 389.883 3.584 0 40 GHAB CC(C)(C)c1ccc(-c2noc(CN3C(=O)NC4(CCCCC4)C3=O)n2)cc1 485881368 MEQLVZAAKGTQOI-UHFFFAOYSA-N 382.464 3.789 0 40 GHAB C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 40145188 ATGBKXUBXNGPKU-CYBMUJFWSA-N 386.521 3.530 0 40 GHAB CC(C)COc1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1Cl 40133210 GVZXZFHHNOBNOB-UHFFFAOYSA-N 381.904 3.707 0 40 GHAB C[C@@H](NC(=O)C1CCN(c2ccc(Cl)nn2)CC1)c1cc2ccccc2o1 30560690 BSJZKJUMRGTDAA-CYBMUJFWSA-N 384.867 3.970 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c(OC)c1 2639678 HRFFBRMKGBOAKU-UHFFFAOYSA-N 387.436 3.613 0 40 GHAB O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)NCc1ccco1 2623153 WQFGETAPNLWLEY-UHFFFAOYSA-N 383.404 3.786 0 40 GHAB Cc1c([C@@H](C)NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)oc2ccccc12 46651125 WBLJAPKNMRNGDA-HUUCEWRRSA-N 378.428 3.733 0 40 GHAB COc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CCCCCC1 1335847 WVPAFEGFDRXJFX-NRFANRHFSA-N 377.492 3.695 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2ccccc2F)c(C(=O)OCC)c1C 1454676 LOGUEQKXCGFRTQ-UHFFFAOYSA-N 379.409 3.801 0 40 GHAB CCCC(=O)OCc1ccccc1C1(O)CCN(C(=O)OC(C)(C)C)CC1 79110428 FPFBDQGCNYNUDU-UHFFFAOYSA-N 377.481 3.748 0 40 GHAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1nc(-c2ccc(F)cc2F)cs1 4179777 FMOYQCTWRYPGEZ-PPZCWDAYSA-N 378.400 3.774 0 40 GHAB Cc1cc(C(=O)NC2CCCCC2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 33271964 UBRWYJNYOAZQNL-UHFFFAOYSA-N 384.501 3.863 0 40 GHAB COC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 6364549 IDDHVDCBBDNDPQ-LPHOPBHVSA-N 390.524 3.869 0 40 GHAB CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cn2)C[C@@H]1c1ccccc1 6732252 RVNRXUXPMXBXEX-QGZVFWFLSA-N 383.448 3.578 0 40 GHAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 6779189 YPTUIPGUSHXWSK-VQIMIIECSA-N 388.533 3.545 0 40 GHAB Cc1ccc(SCC(=O)Nc2ccc(I)cn2)cc1 2725713 NNOARSUQPXNYOL-UHFFFAOYSA-N 384.242 3.725 0 40 GHAB Cc1ccc(-n2c(S[C@H]3CCCCNC3=O)nnc2-c2ccncc2)cc1C 22240845 KWFKXWVSPZOGBM-SFHVURJKSA-N 393.516 3.707 0 40 GHAB O=C(CCCC(=O)OCC(=O)Nc1ccc(F)cc1)Nc1cccc(Cl)c1 8433479 CVOIRSONIPTHRN-UHFFFAOYSA-N 392.814 3.770 0 40 GHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 8477802 IOVDDSQJZUUTIW-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 2886774 UERJDNRWGYNSNI-SFHVURJKSA-N 380.444 3.653 0 40 GHAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(CCc2ccccc2)CC1 22930227 RUPROVQJKZMOHV-MRXNPFEDSA-N 389.902 3.666 0 40 GHAB O=C(c1ccoc1)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 23145432 BOTOCXWWWMKUGU-UHFFFAOYSA-N 390.468 3.914 0 40 GHAB COc1ccccc1-c1cc(C(=O)NC2CCN(c3ccccc3)CC2)no1 54200087 ZDFREWFXZUGAGB-UHFFFAOYSA-N 377.444 3.749 0 40 GHAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N(C)Cc1ccc(OC(F)F)cc1 23296686 RUDOJFXYLURHJG-INIZCTEOSA-N 396.459 3.763 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 9062556 VJKYPWGFGBKFOP-LJQANCHMSA-N 396.531 3.799 0 40 GHAB O[C@H](c1ccccc1)c1cn(C2CCN(Cc3cnc4ccccc4c3)CC2)nn1 23338287 YHYGVFVFKMKJNI-XMMPIXPASA-N 399.498 3.745 0 40 GHAB O=C(O)C1CCN([C@@H](C(=O)O)c2c(-c3ccccc3)[nH]c3ccccc23)CC1 20744599 SUSKHZZWZRHDIT-HXUWFJFHSA-N 378.428 3.757 0 40 GHAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cccc(I)c1 1106384 LHIUGQLDXSGVRB-UHFFFAOYSA-N 391.164 3.650 0 40 GHAB COc1ccc(C(C)=O)cc1CSCC(=O)NCCc1cccc(F)c1 24649237 UVVAUVDSEARQNS-UHFFFAOYSA-N 375.465 3.629 0 40 GHAB O=C(Nc1ccc(F)cc1)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101271153 SYOOESHCSMBQIC-IAGOWNOFSA-N 388.464 3.827 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 25071560 RDEHIZIYQLDYHA-CQSZACIVSA-N 387.863 3.934 0 40 GHAB COC(=O)c1ccoc1CSc1nnc(N2CCCC2)n1-c1ccc(C)cc1 25143473 ZXYDJFRMKBBOHF-UHFFFAOYSA-N 398.488 3.848 0 40 GHAB CCN1C[C@H](CN(C)C(=O)c2cnc3onc(C(C)C)c3c2)Oc2ccccc21 25396925 LJQRIOHHJVBNQB-INIZCTEOSA-N 394.475 3.706 0 40 GHAB O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN1c1nccc(C(F)(F)F)n1 25570615 JTPNDJQMBVEIPS-NSHDSACASA-N 393.394 3.713 0 40 GHAB OC[C@H]1CN(Cc2ccccc2)CC[C@@H]1NCc1csc(-c2cccs2)n1 108084751 MGXJUVSGLNHZRG-MJGOQNOKSA-N 399.585 3.844 0 40 GHAB O=C(NCc1ccc(F)cc1Cl)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416497 MFXLAYBDJZBVRI-NSHDSACASA-N 399.224 3.941 0 40 GHAB CCc1ccc2c(CNc3c(C)n(C)n(-c4ccccc4)c3=O)cc(=O)oc2c1 57405986 PHXSMNFFXUEUGZ-UHFFFAOYSA-N 389.455 3.765 0 40 GHAB Cc1cc(=O)n(CC(=O)N2CCCc3ccccc32)c(-c2cccc(Cl)c2)n1 57526663 IJVSSKADJDOGCO-UHFFFAOYSA-N 393.874 3.852 0 40 GHAB Cc1cccn2c(=O)cc(CN[C@H](c3ccc4c(c3)OCCCO4)C(C)C)nc12 10032254 NCVCIQMKJAJCKU-QFIPXVFZSA-N 393.487 3.651 0 40 GHAB CCc1ccccc1N(CC(=O)N(CC)CC)S(=O)(=O)c1ccc(C)cc1 2064767 QWFLZOUMMARNTR-UHFFFAOYSA-N 388.533 3.621 0 40 GHAB COc1ccc(-c2csc(NC(=O)COC(=O)c3ccccc3)n2)cc1OC 3270089 FSTCTUOKOGKUME-UHFFFAOYSA-N 398.440 3.623 0 40 GHAB O=C(NCc1cccs1)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 23142584 AYJJKZQJUMEWNC-QGZVFWFLSA-N 378.501 3.738 0 40 GHAB Clc1cnc(N2CCN(Cc3noc(-c4cccs4)n3)CC2)c(Cl)c1 58292400 ACZPFKBTNBAFHV-UHFFFAOYSA-N 396.303 3.822 0 40 GHAB CCCCN(C)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccc(C)cc1 67237026 WUKNPSDEIRRHMT-UHFFFAOYSA-N 398.532 3.681 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](c1nnc2ccccn12)C(C)C 58309988 PZPZNEGGYMUJCK-HXUWFJFHSA-N 389.459 3.749 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)cc1 29193990 BOIKNTAPMJZDSY-UHFFFAOYSA-N 392.387 3.749 0 40 GHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CCC2(CC1)OCCO2 46191284 MXZRAOYLJROBBO-UHFFFAOYSA-N 394.830 3.858 0 40 GHAB CCOc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(Cl)cc2)cc1 12925662 LEAWKJSIYLPKPA-LJQANCHMSA-N 386.879 3.832 0 40 GHAB CCNC(=O)COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 12925987 BVXOFNCZYFIAKJ-UHFFFAOYSA-N 395.484 3.886 0 40 GHAB C[C@@H](CNC(=O)CN(C)CC(=O)Nc1cccc2ccccc12)c1ccccc1 8345168 SNFRPWKHIQUBMO-SFHVURJKSA-N 389.499 3.630 0 40 GHAB CCOC(=O)CSc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 5024710 BYNZRGOJVNKYES-UHFFFAOYSA-N 384.548 3.920 0 40 GHAB COc1ccc(-n2c(=O)c3ccccc3n3c(SCC(C)C)nnc23)cc1 4269295 IMOCRVDPJQUWIE-UHFFFAOYSA-N 380.473 3.790 0 40 GHAB COc1cccc([C@H]2c3c(n[nH]c3C)C(=O)N2CCc2c[nH]c3ccccc23)c1 13720301 SCZDVXTXFVYNEN-QFIPXVFZSA-N 386.455 3.996 0 40 GHAB CCCCn1c(SCC(=O)Nc2cccc3ccccc23)nc(O)cc1=O 13957293 ZMPWGFSIRUEOHW-UHFFFAOYSA-N 383.473 3.633 0 40 GHAB C[C@H](Oc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cn1)c1ccccc1 65477299 CPUOMOYCKFUXKJ-QFBILLFUSA-N 379.460 3.847 0 40 GHAB Cc1cc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)c(C)n1Cc1ccc(F)cc1 14067459 WJMAGJVESLUHMO-UHFFFAOYSA-N 396.462 3.794 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2c3c(nc4ccccc24)CCC3)CC1 5345554 JQDSVYINVVKKMB-UHFFFAOYSA-N 387.483 3.695 0 40 GHAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C)c1 14128694 JOQRUBQUVRFNBF-MWQQHZPXSA-N 387.553 3.701 0 40 GHAB O=C(COc1cccc(Br)c1)OCC(=O)c1c[nH]c2ccccc12 5453152 UGVNWRAWIJTEJA-UHFFFAOYSA-N 388.217 3.735 0 40 GHAB O=Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 5405957 GCNQCBGTINCKLG-UHFFFAOYSA-N 385.725 3.967 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)OC(C)C)n2-c2ccccc2)cc1 5484973 YZVNLDLDYJJGMV-UHFFFAOYSA-N 383.473 3.987 0 40 GHAB C[C@H](NC(=O)COCC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 4698872 KYCZJPHZFFEDTF-LBPRGKRZSA-N 381.259 3.826 0 40 GHAB Cc1ccc(N2C(=O)N(Cc3nnc(-c4ccc(F)cc4)o3)C(=O)[C@@H]2C)cc1 6653087 NBPMCLFAWXFBMM-ZDUSSCGKSA-N 380.379 3.541 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1COc2ccccc2O1 5631317 PXYBUAZZBNRRDR-AAEUAGOBSA-N 382.243 3.717 0 40 GHAB CC(C)C[C@H](Nc1ncnc2sc3c(c12)CCC3)C(=O)NCc1cccnc1 6719332 JSHATKGHJWDNDS-INIZCTEOSA-N 395.532 3.718 0 40 GHAB Cc1ccc(Nc2nc(COC(=O)c3nc4nc(C)cc(C)n4n3)cs2)cc1 4837810 GUVYHDPGHNCMKU-UHFFFAOYSA-N 394.460 3.607 0 40 GHAB Cc1ccc(C)c(OCCC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 15095502 ARQSWYYDCZGTQF-SFHVURJKSA-N 378.476 3.873 0 40 GHAB O=c1[nH]c(CSc2nnc3c(Cl)cc(Cl)cn23)nc2ccsc12 6909683 XLOTXETTZPRNLO-UHFFFAOYSA-N 384.273 3.626 0 40 GHAB COc1cccc(OC)c1C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 4943737 YVGWGGZOXNHEKY-UHFFFAOYSA-N 387.823 3.679 0 40 GHAB CC(C)CCOc1ccc(C(=O)OCC(=O)Nc2cccnc2Cl)cc1 5937870 RFBSRROQXZNODY-UHFFFAOYSA-N 376.840 3.955 0 40 GHAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCN(c2cccc(Cl)c2)CC1 7282953 PIVODOBOKZDJSV-UHFFFAOYSA-N 379.243 3.685 0 40 GHAB COCCn1c([C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)nc2ccccc21 7544087 APFUKBQKNNGEJZ-CQSZACIVSA-N 399.878 3.865 0 40 GHAB Cc1c(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C 16019762 FHKFLOHXDQUIMH-UHFFFAOYSA-N 390.270 3.972 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1cccc(Br)c1 7851318 SRWUIUXZGBTIAO-UHFFFAOYSA-N 393.310 3.984 0 40 GHAB O=C(Cc1csc(N2CCCC2=O)n1)N[C@@H](c1ccccc1)c1cccs1 8774451 YTLQJGRTRPHUNL-IBGZPJMESA-N 397.525 3.780 0 40 GHAB O=C(Cn1ccc2ccc(Br)cc21)N1CC[C@]2(O)CCCC[C@@H]2C1 96125596 JHGHITDBWYNVJX-DNVCBOLYSA-N 391.309 3.557 0 40 GHAB biogenic COc1ccccc1-c1noc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 9366250 JEHKIIDQANJYKL-QGZVFWFLSA-N 393.443 3.854 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)N[C@H]1CCCC[C@@H]1C(F)(F)F 84504847 ZDTQFYDTMJXLGQ-IRXDYDNUSA-N 380.414 3.852 0 40 GHAB COc1ccc(CCc2nnc(NC(=O)c3ccc(NC(C)=O)cc3)s2)cc1 9426467 VWKVNCXWZNPRJG-UHFFFAOYSA-N 396.472 3.543 0 40 GHAB Cc1nc2cc(NC(=O)CSc3nnc(C)n3-c3ccccc3)ccc2o1 9835021 MHNGQKHXYWERFJ-UHFFFAOYSA-N 379.445 3.756 0 40 GHAB CC(C)(C)OC(=O)N1CCC(Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 98210993 CZMIBWQXUKPZFS-UHFFFAOYSA-N 387.436 3.655 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 9986442 UJCNAPAPIUDOOM-OAQYLSRUSA-N 392.499 3.563 0 40 GHAB O=C(C[C@H]1OCCc2ccsc21)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 89885374 KXOUTVSIVNWJKF-CYBMUJFWSA-N 399.438 3.900 0 40 GHAB CC[C@H]1CCc2nc(NC(=O)c3ccc(=O)n(-c4ccccc4F)n3)sc2C1 89948306 KNUPAPVQBXBTMS-LBPRGKRZSA-N 398.463 3.595 0 40 GHAB Cc1ccc(C)n1-c1sccc1C(=O)NCc1nc(-c2ccncc2)no1 170647061 WAXOMMSHKCYEDT-UHFFFAOYSA-N 379.445 3.531 0 40 GHAB C[C@H](C(=O)NC1CCCCCCC1)N1c2cccc3cccc(c23)S1(=O)=O 408618479 KNIRTEWQKJSCDU-OAHLLOKOSA-N 386.517 3.966 0 40 GHAB Cc1noc(C)c1CNC(=O)CC1(N2Cc3ccccc3C2=O)CCCCC1 1548347866 BFWJLRCVJKZICB-UHFFFAOYSA-N 381.476 3.657 0 40 GHAB Cc1noc(NS(=O)(=O)c2ccc(NCCC(=O)c3ccccc3)cc2)c1C 1501015455 FNEMIHRNPJZBDQ-UHFFFAOYSA-N 399.472 3.777 0 40 GHAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 409151825 HTFZJQXRKYPBLC-AWEZNQCLSA-N 397.504 3.643 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN=Cc2cc(N)ccc21 73642485 JKYWWZJXJIWNEG-NSHDSACASA-N 378.259 3.809 0 40 GHAB CCN1CC[C@@H](CCc2ccc(NC(=O)CCn3nc(C)nc3C)cc2)[C@H](C)C1 36734982 SIBGQKKQPXOVLV-DYESRHJHSA-N 397.567 3.834 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)n1 33134911 QEKKQHSSCJVXHI-INIZCTEOSA-N 378.259 3.940 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 219380929 KSBNKYGDWBWFQH-GOSISDBHSA-N 395.459 3.836 0 40 GHAB O=C(CSc1nccn(-c2cccc(F)c2)c1=O)Nc1ccc(Cl)cc1 10272994 ZJUZZECUOBDFHW-UHFFFAOYSA-N 389.839 3.756 0 40 GHAB CC(C)CCNc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)O 217613062 YIKXIWQNWDXMOA-OAHLLOKOSA-N 390.505 3.882 0 40 GHAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN=C1c1ccccc1 72414429 KCOWMHMQPMLFFL-UHFFFAOYSA-N 386.517 3.834 0 40 GHAB Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)cc1C 225587756 DCYVHDSFWZLAPM-SFHVURJKSA-N 384.495 3.927 0 40 GHAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 223560948 WFMJFQLDSDINKF-FQEVSTJZSA-N 380.532 3.914 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccc(C)cc1 225413055 ITEZIRWZMZQEGM-INIZCTEOSA-N 388.508 3.780 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 224739458 HEJXWQMRYSMWTC-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB O=C(NC[C@@](O)(c1ccco1)C1CC1)NC(c1ccccc1)c1ccccc1 77099485 VKTGITCRJQFIQV-QHCPKHFHSA-N 376.456 3.966 0 40 GHAB CSc1cccc(NC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)c1 77100389 RJMZFHJAWWAMBM-UHFFFAOYSA-N 379.367 3.655 0 40 GHAB CCc1nn2c(ncc3c(=O)n([C@@H](C(=O)O)C(C)C)ccc32)c1-c1ccccc1 40387891 FFQZVJBFNUAQLT-LJQANCHMSA-N 390.443 3.555 0 40 GHAB COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccccc1Cl 224132505 DTHCQOXZVXCAJI-INIZCTEOSA-N 375.852 3.836 0 40 GHAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2nc(-c3cccs3)cs2)[nH]n1 95478572 XEEWTIBVWOILBJ-UHFFFAOYSA-N 384.490 3.864 0 40 GHAB COc1ccc(O[C@H]2COCCN(C(=O)c3cc(C)oc3C(F)(F)F)C2)cc1 96269042 AIIHQBRXHCECLD-OAHLLOKOSA-N 399.365 3.535 0 40 GHAB biogenic,in-vitro O=S(=O)(c1ccc(Cl)s1)N1CCC(Oc2ncccc2Cl)CC1 96024861 XBIABBLNCSVZHT-UHFFFAOYSA-N 393.317 3.682 0 40 GHAB COc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCCC[C@@H]35)N4C)on2)cc1 257312994 UQOKEZDWHVZOJB-GCUYEVCFSA-N 395.503 3.828 0 40 GHAB O=C(Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1)c1cccs1 250103978 YQXOFKIBSLKMHW-JLZSVDHQSA-N 391.448 3.525 0 40 GHAB Cc1ccc(Cc2cc(C)nc([C@@H]3CN(Cc4cn(C)nc4C)CCO3)c2)cc1 257236142 HAYSFZZANUAPDB-DEOSSOPVSA-N 390.531 3.905 0 40 GHAB O=C(CN1CCCCC1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257307228 SXSPAAPTXFYHKE-SFHVURJKSA-N 385.483 3.596 0 40 GHAB Cn1cc(CN2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1 257220290 DKHBKOUHDXOKEL-OAQYLSRUSA-N 382.895 3.633 0 40 GHAB O=C(NCC1([C@H]2CCCCO2)CCC1)c1cc2c(cc1Br)OCO2 630091724 VXSNPDATJQNOEA-MRXNPFEDSA-N 396.281 3.647 0 40 GHAB C[C@H](O)CCCc1cn([C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)nn1 641104483 PEVWZUUHOKQMCO-WDEREUQCSA-N 396.278 3.948 0 40 GHAB O=C(Nc1cccc(-c2noc(O)n2)c1)c1cnn(Cc2ccccc2Cl)c1 57752456 YTGAZNKRCAPFFJ-UHFFFAOYSA-N 395.806 3.593 0 40 GHAB NC(=O)c1cn(CC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c2ccccc12 516695088 UROGDMHALLIPBA-PXNSSMCTSA-N 375.472 3.583 0 40 GHAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1C(=O)c1ccccc1 5681726 NRVVTWYCFPNSTQ-SIKLNZKXSA-N 376.500 3.912 0 40 GHAB COc1ccc(C2(NC(=O)CN3Cc4ccccc4C3=O)CCCCC2)cc1 12143167 SLEAMDRILVACGJ-UHFFFAOYSA-N 378.472 3.627 0 40 GHAB Cc1nccc(-c2sc(C3CCN(C(=O)c4ccccn4)CC3)nc2C)n1 12186153 PMDISBIOBHLKAP-UHFFFAOYSA-N 379.489 3.632 0 40 GHAB C[C@@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)c1cccc(C(F)(F)F)c1 14845888 LZEINFUUXPZBOE-CYBMUJFWSA-N 391.393 3.626 0 40 GHAB CC(C)NC(=O)CSC1=NC(c2ccccc2)=NCN1c1ccc(F)cc1 15860610 PBCPUSRCASNRMM-UHFFFAOYSA-N 384.480 3.664 0 40 GHAB Cc1cccc(C)c1NC(=S)NC(=O)COc1ccc(Br)cc1 16362319 KDCFQSRKYUYDPN-UHFFFAOYSA-N 393.306 3.958 0 40 GHAB CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCC[C@@H](C)C3)c(O)n2n1 16690052 SFPWLMHEFAJCJB-DYVFJYSZSA-N 386.521 3.889 0 40 GHAB C[C@H](C(=O)N1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1)N1CCCCC1 19079653 RYFXHFCGHZAOFD-JVIIGWRGSA-N 399.579 3.525 0 40 GHAB COc1c(CN2CCc3onc(Nc4c(C)cccc4C)c3C2)c(C)nn1C 19235804 VYUQKWOJUNVXKW-UHFFFAOYSA-N 381.480 3.644 0 40 GHAB O=C(NCc1cccs1)c1cc(-c2ccncc2)c(N2CCOCC2)s1 19343730 LDEILCQHRLDXKM-UHFFFAOYSA-N 385.514 3.638 0 40 GHAB C[C@@H](Cn1cc(Cl)cn1)C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 19457284 AKJYQENUUIQUKH-LSDHHAIUSA-N 379.863 3.629 0 40 GHAB Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cc3ccc(F)cc3)cn2)cn1 19688402 BFDRBDKCUWFKDY-HXUWFJFHSA-N 376.435 3.766 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)cs1 13225291 AOPGAONDPCJSSQ-OAHLLOKOSA-N 379.485 3.723 0 40 GHAB CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(Cc2cccc(F)c2)C1 19573303 NTHNDCNIQKTYSG-CQSZACIVSA-N 382.888 3.657 0 40 GHAB O=C(N1CC(Oc2ccnc(C(F)(F)F)c2)C1)C1(c2ccc(F)cc2)CC1 1888869673 KLUJXRVEIDYTLS-UHFFFAOYSA-N 380.341 3.561 0 40 GHAB Cc1nc(CN2CCC(COc3ccc4nc(C5CC5)cn4n3)CC2)cs1 1888890475 ZUNSYLJEXMIESX-UHFFFAOYSA-N 383.521 3.663 0 40 GHAB COc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nncs3)n2)cc1F 40134963 GBTCLFGHMYINRS-MRVPVSSYSA-N 396.494 3.929 0 40 GHAB COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)OC(C)C)OC3)CC2)cc1 2056225634 VETIATUVWXSGHJ-FQEVSTJZSA-N 390.524 3.591 0 40 GHAB CCCCOc1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)c1 4107147 ZQBVBSDFPRNXAO-UHFFFAOYSA-N 395.415 3.939 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 4251163 HXFBGXXDBAPDSB-UHFFFAOYSA-N 391.452 3.886 0 40 GHAB CCOc1ccc(CC(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1 4505615 URGQEANCHNPAMH-UHFFFAOYSA-N 379.456 3.654 0 40 GHAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc1 5240543 ZDHYBZJKUZTSPP-UHFFFAOYSA-N 399.472 3.690 0 40 GHAB Cc1cccc(-n2ccnc(SCC(=O)Nc3cccc(Cl)c3)c2=O)c1 7615766 AMSMVJLNLNONEO-UHFFFAOYSA-N 385.876 3.925 0 40 GHAB CC(C)c1ccc(CC(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 10096580 ILMTVPUQAPGVBY-UHFFFAOYSA-N 379.416 3.812 0 40 GHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21 12180409 ZCPZWBBJZRFUAC-UHFFFAOYSA-N 392.908 3.971 0 40 GHAB COc1cc(NC(=O)c2ccc(N(C)C)cc2)ccc1NC(=O)c1ccco1 12414039 TXJKOHSOOKKOJG-UHFFFAOYSA-N 379.416 3.859 0 40 GHAB Oc1nc(CS[C@H]2CC[C@H](O)CC2)nc2cc(OCC3CC3)cc(F)c12 1857524072 NKZDEFKPZSLQRF-MQMHXKEQSA-N 378.469 3.800 0 40 GHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1nc2ccccc2s1 17201233 PEKLVHPUGQWADA-UHFFFAOYSA-N 384.442 3.779 0 40 GHAB Cc1ccccc1NC(=O)CN1CCC(c2nc(-c3cccs3)no2)CC1 49403504 KSJSZJIHPABNIE-UHFFFAOYSA-N 382.489 3.925 0 40 GHAB Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCCC3)c(O)n2n1 22625923 ZGXLHIPUCCWHNU-ZDUSSCGKSA-N 393.310 3.753 0 40 GHAB COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc2[nH]nnc2c1 30476565 SKZHHJXHLVRCQS-UHFFFAOYSA-N 378.457 3.871 0 40 GHAB COC(=O)CNC(=O)c1nc(-c2ccccc2)oc1Sc1ccc(C)cc1 41154813 BSVZGGCLMVVQJN-UHFFFAOYSA-N 382.441 3.704 0 40 GHAB COc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCCCC3)nc2)cc1OC 32889576 PZSGFVYVTIEBEW-UHFFFAOYSA-N 397.475 3.691 0 40 GHAB CN(Cc1ccccc1)C[C@@H](O)Cn1nc2c3c(cccc31)C(=O)c1ccccc1-2 60343653 OOVUAJUBANHHPC-GOSISDBHSA-N 397.478 3.741 0 40 GHAB CCOC(=O)[C@H](CC)Sc1nnc(COc2ccc(Cl)cc2)n1CC 898565 XNFCFHHVDPFMNC-AWEZNQCLSA-N 383.901 3.964 0 40 GHAB Cc1ccc(-n2c(SCCCn3cncn3)nc3ccccc3c2=O)c(C)c1 32931588 ZWSYXZOIQNWPMO-UHFFFAOYSA-N 391.500 3.776 0 40 GHAB C[C@H](C(=O)Nc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1)n1cncn1 32914506 GYKNOKOFGWMTNS-CQSZACIVSA-N 397.866 3.703 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C[C@@H]2CCCO2)cc1C 1364625 JUNQCKDUITUMFJ-KRWDZBQOSA-N 386.521 3.682 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)o1 12051959 MHNXNCKKTDRZPM-UHFFFAOYSA-N 375.837 3.945 0 40 GHAB CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C1=C[C@@H]2CC[C@H](C1)N2C 2024819 LZYMPGNBBKVSQZ-DLBZAZTESA-N 388.508 3.705 0 40 GHAB CC(=O)Nc1cccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 3348679 KSHIHOVLZSDMSX-UHFFFAOYSA-N 391.393 3.626 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(c1ccccn1)C3=O 2704119 CAPFYEJVRDJLQO-FQEVSTJZSA-N 384.391 3.952 0 40 GHAB COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)O[C@H]1CC[C@H](C)[C@@H](C)C1 4595251 HUYGQRAVZXPWSL-VODUFIJXSA-N 388.533 3.856 0 40 GHAB c1cncc(CNc2csnc2-c2nnc(Nc3ccc4c(c3)OCO4)o2)c1 22172624 MCDWEFNOWXCZFS-UHFFFAOYSA-N 394.416 3.673 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)CCC2 7050608 LFCNNVPLCAJBAU-UHFFFAOYSA-N 382.279 3.747 0 40 GHAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccc(C)cc2)n1N)c1ccccc1 7112153 AHCWSYXFKAZDJD-SFHVURJKSA-N 395.532 3.669 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 7477741 KJOHSEZUARUWRS-UCLAIMLFSA-N 383.492 3.729 0 40 GHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101690646 YGPYPLBLTBVAPJ-SXPCIFIFSA-N 378.463 3.660 0 40 GHAB Cc1ccc2c(CC(=O)NC[C@H](c3cccs3)N3CCOCC3)coc2c1C 22358300 QYYGHPJHGXAEND-LJQANCHMSA-N 398.528 3.843 0 40 GHAB COc1c(I)cc(C(=O)O)cc1OCc1ccccc1 8469587 FDHJOGKITVFDID-UHFFFAOYSA-N 384.169 3.577 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CC1 46864208 ISLCLYDBYZWCFJ-UHFFFAOYSA-N 383.492 3.788 0 40 GHAB CCOc1ccc(N2C(=S)N[C@@H]3C[C@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 101170323 RIGXCOUCFPVWMD-UTKZUKDTSA-N 398.484 3.806 0 40 GHAB CCCN(Cc1ccccc1)C(=O)CNC(=O)c1cccc(Br)c1 22745205 OUXKRUWXMOFEBA-UHFFFAOYSA-N 389.293 3.618 0 40 GHAB O=c1[nH]c(Cc2nccn2Cc2ccccc2)nc2sc3c(c12)CCCS3 53844596 NRUHUVUDDSNSQR-UHFFFAOYSA-N 394.525 3.859 0 40 GHAB CCCOc1c(Cl)cc(C(=O)N2CCOC23CCN(C)CC3)cc1Cl 12389136 TUPVIJXSWFGACQ-UHFFFAOYSA-N 387.307 3.677 0 40 GHAB O=C(NCC(F)(F)F)c1cccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1 23670882 HRXGAEFBWDIWFK-UHFFFAOYSA-N 380.153 3.866 0 40 GHAB CN(c1ccc(C(=O)Nc2cccc(F)c2)cc1)S(=O)(=O)c1ccccc1 113937664 IKAGJQHRKLMNFV-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)c(Br)c1 28940273 ZDEAUCSTQCLKLM-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)Nc2nc(C)c(-c3nccn3C)s2)c1 12577987 KDRMFWINOKPGRZ-VMPITWQZSA-N 384.461 3.521 0 40 GHAB CCOC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 113880135 BFSUOOIHYABPQD-UHFFFAOYSA-N 381.881 3.715 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)Cc2ccc(F)cc2)cc1OC 26233337 GXZKEJZSUPTFFW-KRWDZBQOSA-N 379.453 3.510 0 40 GHAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1cc2ccccc2o1 57514126 PRXHXNVCDKESKO-IBGZPJMESA-N 392.455 3.753 0 40 GHAB Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3noc4c3CCCC4)C2)cc1 108858901 VOQSMVJGWLAJOP-QGZVFWFLSA-N 382.508 3.896 0 40 GHAB CCOC(=O)c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)ccc1Cl 20493047 WKZDZZMQGSNJAT-UHFFFAOYSA-N 377.824 3.715 0 40 GHAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)NCCc1ccc(F)cc1 3244822 HRYMUFZAERWPRC-UHFFFAOYSA-N 391.442 3.860 0 40 GHAB CSc1n[nH]c(N2[C@@H](O)C(O)=C(c3ccccc3)[C@@H]2c2ccc(C)cc2)n1 101353764 UIHODZHMOFGMHW-WMZOPIPTSA-N 380.473 3.684 0 40 GHAB O=C(COC(=O)c1cc(Cl)ccc1O)Nc1ncc(Cl)cc1Cl 3259225 DSONWIRTSMFFNT-UHFFFAOYSA-N 375.595 3.543 0 40 GHAB O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1C[C@H]1c1ccccc1Cl 58402662 QNSKNYSXEAPMAK-IRXDYDNUSA-N 375.827 3.808 0 40 GHAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 48252581 SOBCRMAOIAODTF-OAHLLOKOSA-N 390.503 3.727 0 40 GHAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 10889772 OGJKWOSRVFSADE-DLBZAZTESA-N 395.532 3.589 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OC(C)C)cc1 2349400 NMXBNCSUSDHBPG-UHFFFAOYSA-N 387.461 3.617 0 40 GHAB COc1cccc2[nH]c(C(=O)N[C@H](C)C(=O)Nc3nc4ccccc4s3)cc12 36579843 NHZLCCHIAPDOAN-LLVKDONJSA-N 394.456 3.543 0 40 GHAB CCc1ccccc1NC(=O)CN1CCN(Cc2ccc(Cl)s2)CC1 23260485 FAVALOUYGXGCRI-UHFFFAOYSA-N 377.941 3.720 0 40 GHAB CCn1ncc(Br)c1C(=O)NCc1csc(-c2ccccc2)n1 28246864 ATMYSWARWFNMTO-UHFFFAOYSA-N 391.294 3.719 0 40 GHAB COc1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc(OC)c1OC 2430871 WBQYFVZEPRTTED-UHFFFAOYSA-N 388.851 3.820 0 40 GHAB biogenic COc1ccc(CCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1OC 24389664 NLWNLSSPTNHCIJ-UHFFFAOYSA-N 382.504 3.549 0 40 GHAB COc1c(Cl)cc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1Cl 12766054 GZNMFBSCKDGCMU-UHFFFAOYSA-N 398.271 3.572 0 40 GHAB CC(C)n1nc(C(=O)NCCCn2ccc3ccccc32)c2ccccc2c1=O 8428677 ZTBNCPBNJVVRIU-UHFFFAOYSA-N 388.471 3.752 0 40 GHAB COc1cccc(C(=O)NCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 3406853 IVLSNWKPRIXHJC-UHFFFAOYSA-N 376.412 3.856 0 40 GHAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(-n2cnnn2)cc1 3452970 VLGUIBASWABSKG-UHFFFAOYSA-N 398.637 3.640 0 40 GHAB COCCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc21 3499065 KGVWXFYKLNTZDZ-UHFFFAOYSA-N 385.489 3.805 0 40 GHAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)NC1CC1 3506407 UXNHHLKLGDVYIE-UHFFFAOYSA-N 376.551 3.806 0 40 GHAB CN(C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1 12975200 BEHNKAZGNMQKLX-UHFFFAOYSA-N 381.482 3.850 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1 13018116 WKWJYKFSTNWTKS-HNNXBMFYSA-N 380.469 3.993 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)C1 27969857 CZQYPSSFQYZHNQ-KBPBESRZSA-N 376.298 3.812 0 40 GHAB Cc1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n(C)n1 64724583 LAQBDMODNVGCJJ-UHFFFAOYSA-N 389.434 3.902 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc2n1CCCCC2 6097649 GQBFEVAIBZERAC-NSHDSACASA-N 380.901 3.786 0 40 GHAB Cc1ccc(NC(=O)COC(=O)Cc2ccccc2C)c(Br)c1 5086870 JEYHLIMQMVUPBZ-UHFFFAOYSA-N 376.250 3.790 0 40 GHAB Cc1cccc(C)c1N(Cc1ccc(C(=O)N2CCCC2)cc1)S(C)(=O)=O 113966223 FCZLAESJPTTYEC-UHFFFAOYSA-N 386.517 3.506 0 40 GHAB CC[C@@H](NC(=O)Cn1cc(C=O)c2ccccc21)c1ccc2c(c1)OCCCO2 64986992 ZDROAQFCBROXTA-LJQANCHMSA-N 392.455 3.883 0 40 GHAB Cc1cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(C)n1Cc1ccco1 5253618 GVJQVCKZXIBUTO-UHFFFAOYSA-N 395.846 3.992 0 40 GHAB CCn1c(=O)n(Cc2cc(OC)c(OC)cc2Br)c2ccccc21 14145733 LIJQDGKXIVVZFK-UHFFFAOYSA-N 391.265 3.651 0 40 GHAB Cc1sc2nc(-c3cccnc3)nc(NCc3nnc4n3CCC4)c2c1C 14241575 ZWJZYQNADNRYLJ-UHFFFAOYSA-N 377.477 3.520 0 40 GHAB Cc1cc(C)c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c(C)c1 4690847 DLUUCSKSKYPCCA-UHFFFAOYSA-N 394.924 3.978 0 40 GHAB COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc(C(C)=O)cc3)c(=O)oc2c1 6660512 YNTGNXFICDCLTH-UHFFFAOYSA-N 395.411 3.502 0 40 GHAB CCOC(=O)c1c(N)c(C(=O)c2ccc(Br)cc2)n2ccccc12 4775927 LGOAJOJPVDPVCK-UHFFFAOYSA-N 387.233 3.692 0 40 GHAB CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCc2ccccc2)cc1 5673644 AZCXLCLUOCALFB-IBGZPJMESA-N 382.485 3.622 0 40 GHAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnc3n2CCCCC3)cc1 6879953 PTBIFMHZTQFVGJ-UHFFFAOYSA-N 396.520 3.538 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)c1 4929829 DDMXNFZJCUGKIJ-GOSISDBHSA-N 379.416 3.731 0 40 GHAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1ccc(N2CCNC2=O)cc1 92647810 ICAINXCPZMUVRT-UHFFFAOYSA-N 395.850 3.616 0 40 GHAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1 7596214 KVURBGMKLIRVSH-UHFFFAOYSA-N 392.480 3.760 0 40 GHAB Cc1cccc(C(=O)N2CCOc3ccccc3C2)c1NC(=O)c1ccncc1 68217878 FDMRPDVBVSCVPR-UHFFFAOYSA-N 387.439 3.677 0 40 GHAB CCCCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC(C)CC3)nc12 16080949 UVHWJDRBVQXUIP-UHFFFAOYSA-N 385.537 3.670 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 9052304 VYVKKQBVEKTBJZ-QGZVFWFLSA-N 380.488 3.733 0 40 GHAB COC(=O)CCCCCOc1ccc(OC(=O)COCc2ccccc2)cc1 117564210 XFNDREOUJPQVRJ-UHFFFAOYSA-N 386.444 3.921 0 40 GHAB CSCC[C@H](NC(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 9679309 SJBSLUIBGQLNSW-INIZCTEOSA-N 398.488 3.585 0 40 GHAB CCC(=O)Nc1cccc(C(=O)N2c3ccccc3C[C@H]2C(=O)OC(C)(C)C)c1 84718701 CPGSFEGBSKPFBP-IBGZPJMESA-N 394.471 3.948 0 40 GHAB CCOC(=O)CCN1CCC(N[C@H](c2ccccc2)c2ccccc2OC)CC1 95986468 FDENVDXISMMRBZ-XMMPIXPASA-N 396.531 3.792 0 40 GHAB O=C(Nc1cccc(Cn2cncn2)c1)Nc1cc(F)cc(N2CCCC2)c1 95959325 YSMFBELNKLQFGF-UHFFFAOYSA-N 380.427 3.710 0 40 GHAB CCc1[nH]c(C(=O)NCc2ccc3cc(OC)ccc3c2)c(C)c1C(=O)OC 9941992 GHAHWHUNVLPFHR-UHFFFAOYSA-N 380.444 3.764 0 40 GHAB COC(=O)c1c(NC(=O)CSCc2ccc(OC)cc2)sc2c1CCC2 408575304 JMKZSGFSPBPEDH-UHFFFAOYSA-N 391.514 3.904 0 40 GHAB C[C@H](O)CNCCNCc1ccccc1OCc1ccc(Cl)cc1Cl 22075032 GYZCLJRPAIVFGV-AWEZNQCLSA-N 383.319 3.632 0 40 GHAB Cc1ccc(SCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 20457210 LHMNQDQFBOXJTM-UHFFFAOYSA-N 398.937 3.542 0 40 GHAB Cc1nc2cc(C(=O)NC[C@H]3COc4ccccc4O3)ccc2n1-c1ccccc1 25465509 CFCGSDFBUJEAMF-IBGZPJMESA-N 399.450 3.904 0 40 GHAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)c1 408628702 WFGOSMHNYUQGMQ-UHFFFAOYSA-N 386.473 3.619 0 40 GHAB O=C(CSc1nc2cccnc2n1-c1ccc(F)cc1)NCc1ccco1 35289337 ZXNRRNSOUXHCLE-UHFFFAOYSA-N 382.420 3.561 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)c1 522983566 WVTUCMNFUPJDDO-CYBMUJFWSA-N 383.897 3.609 0 40 GHAB COc1cccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccc(F)cc4)cnn32)c1 32092318 LXZQEDZWRRFMGE-QGZVFWFLSA-N 380.379 3.869 0 40 GHAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCn6cnnc6C5)(C4)C2)C3)cc1C 530829644 KGHQZSMEZMRABV-UOYQGRGCSA-N 390.531 3.775 0 40 GHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCC2CCCCC2)CC1 36413033 LVQTVPMPXVAXLK-UHFFFAOYSA-N 385.552 3.747 0 40 GHAB COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)c2ccco2)cc1F 670321737 YUZAILLYPICDNU-CQSZACIVSA-N 381.450 3.599 0 40 GHAB COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 72333027 PFJRYXQWJNBXGJ-LJQANCHMSA-N 390.443 3.698 0 40 GHAB COc1ccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1OC 32609663 GQJNMJSKHHOWFH-UHFFFAOYSA-N 389.814 3.993 0 40 GHAB Nc1c(Br)cc(Cl)cc1-c1nn2c(C(F)(F)F)nnc2s1 73634291 UBUCFNYUPNNBCK-UHFFFAOYSA-N 398.595 3.870 0 40 GHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 219328539 RALJYDADXKALEL-OALUTQOASA-N 393.480 3.654 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2ccc(OC)c(OC)c2)cc1 72329301 UFWKTZHHWBFHII-CYBMUJFWSA-N 381.432 3.594 0 40 GHAB Cc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)cc1 72363246 YUCMQQILWXIEBR-LJQANCHMSA-N 394.519 3.625 0 40 GHAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1NS(C)(=O)=O 43523223 LXCANFFQLGJOBY-OAHLLOKOSA-N 386.517 3.736 0 40 GHAB COC(=O)c1cc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)ccc1Cl 225729462 PYXSAZQSIVXRMX-ZIAGYGMSSA-N 397.972 3.781 0 40 GHAB C[C@H](O)c1ccc(C2(CNC(=O)C(=O)Nc3ccc(F)cc3)CCCC2)s1 225685125 WKLQXBXQJKWIRL-ZDUSSCGKSA-N 390.480 3.507 0 40 GHAB Cc1nc2nc(SCC(=O)N(C)[C@@H](C)c3ccc(F)cc3)nn2c(C)c1C 40119156 LWPUEZNVHNYUKC-AWEZNQCLSA-N 387.484 3.500 0 40 GHAB CCC(CC)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225752457 MQMYVIXWRIXMIP-UHFFFAOYSA-N 390.530 3.578 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 222683031 PTBMWGVQPROMOR-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225667868 PMDRJTWTQZBGJE-SFHVURJKSA-N 382.504 3.570 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 224393059 MJZCBTHEMLWCCF-IBGZPJMESA-N 390.886 3.965 0 40 GHAB CC[C@@H](C(=O)N1CC(c2nc(Cc3ccccc3OC)no2)C1)c1ccccc1 77191302 BHBLXLJZFHRUBG-LJQANCHMSA-N 391.471 3.789 0 40 GHAB COc1cccc(CC(=O)OC2CN(c3nc4c(Cl)cccc4s3)C2)c1 77101428 XMLGVBIFZNTLKB-UHFFFAOYSA-N 388.876 3.933 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 223591216 ZHQQSGXXDLGIFT-LJQANCHMSA-N 382.504 3.544 0 40 GHAB CC(C)NC(=O)N1CCO[C@@H](c2ncn3c(Nc4ccccc4)cccc23)C1 96267339 WPZMBQSIMKKMAR-GOSISDBHSA-N 379.464 3.569 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)ccc21 96321944 WVNSSWBAPDRXDI-CYBMUJFWSA-N 388.514 3.613 0 40 GHAB CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(Br)cc23)CC1 95629776 OEPFAISGJSLNRJ-UHFFFAOYSA-N 399.314 3.511 0 40 GHAB O=C(C[C@@H]1CC2(CCN(CC3CCOCC3)CC2)c2ccccc21)NC1CC1 96053015 GINLOGZXYVHURZ-LJQANCHMSA-N 382.548 3.603 0 40 GHAB COc1ccc(CN(CC2CCC2)C(=O)c2ccn3cncc3c2)c(OC)c1 585079970 AIEMOJFVPVXVBW-UHFFFAOYSA-N 379.460 3.794 0 40 GHAB CC(C)Oc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 240681796 AIYGRHZDBHECHE-UHFFFAOYSA-N 396.896 3.532 0 40 GHAB CC1(C)[C@@H]2[C@@H](CCCN2c2nc3cccc(F)c3s2)[C@H]1NC(=O)C(F)F 585137772 SMPYUZIDUBAVRG-FZZIBODNSA-N 383.439 3.810 0 40 GHAB CC(=O)N1[C@@H](CNC(=O)c2csc(C(C)C)c2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257282523 OUBKGZIOOVSCPI-RDPOXOKHSA-N 392.565 3.532 0 40 GHAB Cn1nc(C(F)F)c2cc(C(=O)N[C@@H](CC3CCCCC3)C(=O)O)sc21 1601007898 LFEMGMLOPHEKDL-NSHDSACASA-N 385.436 3.726 0 40 GHAB O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)N[C@]12CCC[C@H]1C2 664702127 OFDPWEDNRLVGIF-DJJJIMSYSA-N 395.425 3.552 0 40 GHAB O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)N1CC[C@H]2C[C@H]2C1 667075693 BERMDZKIVBGHAH-ONGXEEELSA-N 384.383 3.977 0 40 GHAB Cc1c(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)ccc2cncn12 1625869874 GPJOQKJHMXAYGD-UHFFFAOYSA-N 376.382 3.975 0 40 GHAB O[C@H](COCc1ccccc1Cl)CN1CC[C@H](Cc2ccc(F)cc2)C1 605902351 AXTIIJDSGACXBK-XLIONFOSSA-N 377.887 3.921 0 40 GHAB Cc1cc(C)c2nc(O)c(CNC[C@@H](O)COc3cccc(C)c3C)cc2c1 585283775 HMKVVZAXEXNBHE-HXUWFJFHSA-N 380.488 3.704 0 40 GHAB Cc1ncncc1C(=O)N1CCC(C)(c2ncc(Cc3cccc(F)c3)o2)CC1 585182560 QOOJSRBDKYFPQY-UHFFFAOYSA-N 394.450 3.697 0 40 GHAB COc1cccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)c1 57450626 NTIBVULERCBPSY-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)Nc1ccccn1)CC2 548022542 ZGPKKOOGRPIMLR-QGZVFWFLSA-N 384.505 3.578 0 40 GHAB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C1 96120086 PBUMZMIMCCBVOD-ZDUSSCGKSA-N 392.348 3.740 0 40 GHAB COc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC 1023738 WNYHIZKELUNZAH-BWSGXRDBSA-N 378.472 3.731 0 40 GHAB biogenic COc1ccc([C@H](CNC(=O)c2n[nH]c3ccccc23)N2CCCCC2)cc1 5267847 SUMKPCLXCGHQHZ-FQEVSTJZSA-N 378.476 3.529 0 40 GHAB C[C@@H](NC(=O)C1(c2cccc(F)c2)CCCC1)c1nc(-c2cccnc2)n[nH]1 12114766 HRMSJKSIZWUDIQ-CQSZACIVSA-N 379.439 3.695 0 40 GHAB COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@H]2CCCO2)CO4)cc1 12442438 UCXGAWNJPHTFAA-GOSISDBHSA-N 393.439 3.800 0 40 GHAB biogenic O=C(CSc1nnnn1-c1ccc(O)cc1)c1cc2cc(Cl)ccc2o1 12797707 GQCXQBRAQDZGKU-UHFFFAOYSA-N 386.820 3.743 0 40 GHAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)C2CCN(C)CC2)c2cccc(C)c2n1 19236709 QHANOPUWDFPWRQ-IBGZPJMESA-N 381.520 3.567 0 40 GHAB COc1ccc(CN(C[C@@H]2CCOC2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 19554729 AERWKIAWXUDZGE-OFAXGOBFSA-N 385.479 3.855 0 40 GHAB Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cc2ccccc2)c1C 19558175 ZGAVXZBJMAPHPK-LJQANCHMSA-N 378.476 3.988 0 40 GHAB COc1cccc(CN2CCC([C@H](NC(=O)C3CCC3)c3ccccn3)CC2)c1 19564826 SNNFGCXWAXBRQP-QHCPKHFHSA-N 393.531 3.960 0 40 GHAB COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCN(C(=O)C(C)C)C3)ccc12 19705010 VMKXAFHUJJXQDP-MRXNPFEDSA-N 393.491 3.551 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(N3CCOCC3)cc2)cc1 19717128 BVEOBAROJTXDFP-QFIPXVFZSA-N 380.488 3.899 0 40 GHAB CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)S(C)(=O)=O 19934648 HYURLNKVCKZIKU-KRWDZBQOSA-N 388.533 3.509 0 40 GHAB COc1ccc(CN2CCC(Cc3nc(-c4ccncc4)no3)CC2)cc1F 1888897452 UJZRHBVQAXMLQR-UHFFFAOYSA-N 382.439 3.734 0 40 GHAB Cc1cccc2c(CC(=O)N3CCC4(CC3)C[C@H](N)c3ccccc3O4)c[nH]c12 1122319500 JCPZRLJVOLFEQY-FQEVSTJZSA-N 389.499 3.863 0 40 GHAB Cc1ccc2nc(N(CCN(C)C)C(=O)CCOc3ccccc3)sc2c1 4359104 BVJIWKIOJMOTBC-UHFFFAOYSA-N 383.517 3.968 0 40 GHAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)Nc3cc(Cl)ccc3C)cc21 5252577 YOOCUQAMELPMCG-UHFFFAOYSA-N 385.851 3.525 0 40 GHAB Cc1cc(C)c(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)c(C)c1 20347332 KJDBZXZSZPDGBP-NRFANRHFSA-N 388.939 3.827 0 40 GHAB COc1cccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)c1 22906978 PKTLIFXSVRMARC-NRFANRHFSA-N 376.456 3.818 0 40 GHAB Cn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2ccc3ccccc3c21 100819337 UIHYXZVAMFCLEL-KTVWJZFRSA-N 376.437 3.660 0 40 GHAB CS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(-c3cccs3)o2)cc1 575609573 YMWSTMHJTITAKG-UHFFFAOYSA-N 389.498 3.661 0 40 GHAB O=C(c1ccccc1C1CC1)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1 585506503 WSBDVHFLWDTOOF-UHFFFAOYSA-N 377.488 3.551 0 40 GHAB O=C(Nc1ccc(Br)cc1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4374164 MXEQMSINOXFAEE-AWEZNQCLSA-N 392.228 3.515 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 13579529 FZNNTZDKVSLFOG-HNNXBMFYSA-N 380.444 3.560 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N[C@H](c2ccccc2F)c2nccn2C)s1 40013275 SAQIXWOHBWMQKL-LJQANCHMSA-N 385.464 3.798 0 40 GHAB CC(C)C[C@H](NC(=O)c1ccc(Br)o1)c1nnc2ccccn12 20717560 FKAYQNDNICKYOQ-NSHDSACASA-N 377.242 3.602 0 40 GHAB CC(=O)Nc1ccc(C(=O)COC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 51796191 ZKIGIUVRDBOOBG-TZMCWYRMSA-N 389.345 3.879 0 40 GHAB Cc1ccc(N2C(=O)N(Cc3ccc(C(=O)N4CCCC4)cc3)C(=O)[C@H]2C)cc1 32636272 MGFDBHRMIBJGMR-QGZVFWFLSA-N 391.471 3.588 0 40 GHAB COc1ccccc1NC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 32831187 FTWUWQKBRSJMGC-IRXDYDNUSA-N 383.492 3.626 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C(F)(F)F)cc1 32837380 MWMXZBRSYKWISQ-QGZVFWFLSA-N 378.394 3.776 0 40 GHAB C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1 2620060 XDVPCOHFEQSNDS-LLVKDONJSA-N 395.242 3.922 0 40 GHAB O=C1CC[C@@H](NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CN1 102643103 BFKOWENLTUOHMF-CQSZACIVSA-N 398.459 3.873 0 40 GHAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)NCCc1cccs1 8735189 IQDCNUWZJYJXQE-ZDUSSCGKSA-N 399.545 3.576 0 40 GHAB CCc1ccccc1-n1c(C)nnc1SCC(=O)N1CCc2ccccc21 1355757 HFKICOZZQIRQBD-UHFFFAOYSA-N 378.501 3.820 0 40 GHAB CCc1ccc(-n2c(SCC(=O)N[C@@H](C)CC)nnc2-c2ccccn2)cc1 1362750 BJDMSNLQZWMOQY-HNNXBMFYSA-N 395.532 3.899 0 40 GHAB O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1CCCN(c2cnccn2)C1 32924351 GWCYSYVVUXCOKM-LJQANCHMSA-N 388.471 3.802 0 40 GHAB CCCOC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)on2)cc1 79001491 CLPHRCAJDMXZNP-UHFFFAOYSA-N 386.429 3.709 0 40 GHAB O=C(Nc1nnc(C(F)(F)F)s1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 102952263 LPWKNBSUSSGMBS-SECBINFHSA-N 386.355 3.655 0 40 GHAB COc1cccc(-n2cnnc2S[C@H](C)C(=O)N2CCCc3ccccc32)c1 22093717 LETZRBAZMHTCGV-OAHLLOKOSA-N 394.500 3.736 0 40 GHAB COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(C)c(Cl)c1 4895110 ULHVBNXKQFADRC-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB CCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OCC)cc1 6318788 WHNKASYPJDCTKW-UHFFFAOYSA-N 382.489 3.561 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(OC(C)C)c3)CC2=O)cc1 6963013 PLZPALLXEJWKTE-INIZCTEOSA-N 382.460 3.864 0 40 GHAB CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 103469033 QENSIGLAJLQUMI-IEBWSBKVSA-N 380.488 3.956 0 40 GHAB Cc1c(NC(=O)[C@@H](C)Sc2ccccc2F)c(=O)n(-c2ccccc2)n1C 8388653 ZEAZJXOSPKBAEL-CQSZACIVSA-N 385.464 3.743 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc2oc3ccccc3c2c1 103013040 SVZGTVHDUSVGEW-CALCHBBNSA-N 388.423 3.866 0 40 GHAB COc1ccc([C@H](C)NC(=O)NCCCCN2C[C@H](C)C[C@@H](C)C2)c(OC)c1 58159827 MSSRICLKSTZNHL-KURKYZTESA-N 391.556 3.822 0 40 GHAB CC(=O)Nc1cc(N[C@@H](C)C(=O)Nc2cccc(Br)c2)ccc1F 25047241 WGLNBIYKJAUGLX-JTQLQIEISA-N 394.244 3.986 0 40 GHAB O=C(Nc1ccccc1Cl)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 12589555 LFCYNSJBRVRZIF-KRWDZBQOSA-N 378.881 3.522 0 40 GHAB COc1ccc(CN(C(=O)Cc2csc(-c3ccccn3)n2)C2CC2)cc1 26385395 HORXQQDUNJQTHK-UHFFFAOYSA-N 379.485 3.947 0 40 GHAB COC(=O)c1c(NC(=O)CN[C@H](C)c2ccc(F)c(F)c2)sc2c1CCC2 57315232 RHZOCEDKSPGGGU-SNVBAGLBSA-N 394.443 3.591 0 40 GHAB COc1ccc2c(C)c(CCC(=O)NC[C@H](C)c3ccccc3)c(=O)oc2c1 26754109 ZFFGUEFEEHATJK-HNNXBMFYSA-N 379.456 3.963 0 40 GHAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Nc2ccc(-c3ccccc3)cc2)CC1 57798716 DZQVECYBIIWKSA-QGZVFWFLSA-N 380.488 3.956 0 40 GHAB CN(C)CCn1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 58161724 VXZNZKINRMIDFE-UHFFFAOYSA-N 394.319 3.735 0 40 GHAB CCOc1cccc([C@H](C)NC(=O)Cc2csc(NC(=O)C(C)C)n2)c1 58283333 ZJWNZEAHGCAPNM-ZDUSSCGKSA-N 375.494 3.556 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)nc1)N(Cc1cccnc1)C[C@@H]1CCCO1 58265361 MIZFFJOSARVQCV-FQEVSTJZSA-N 395.507 3.680 0 40 GHAB CC(=O)[C@@H](C)Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 2130206 BZHBGIPKYGEXDD-CYBMUJFWSA-N 376.364 3.923 0 40 GHAB biogenic CCOC(=O)[C@H]1CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)C1 105378823 XQDHJGCDKQBSMO-DMCRJLAESA-N 389.536 3.576 0 40 GHAB biogenic COc1ccc(CN(C)C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OC 8748579 ZLHNCGHIHYJYEJ-UHFFFAOYSA-N 394.427 3.821 0 40 GHAB CCN(CC)CCn1/c(=N/C(=O)[C@H]2C[C@@H]2c2ccccc2)[nH]c2ccccc21 28305562 SYSPJOSGUHVHJH-MOPGFXCFSA-N 376.504 3.542 0 40 GHAB CCN1CCN(C2(CNC(=O)c3oc4ccccc4c3C)CCCCC2)CC1 28293568 CPIBFSOSPJXHCG-UHFFFAOYSA-N 383.536 3.811 0 40 GHAB CCCc1nnc(SCC(=O)Nc2cccc(Br)c2)n1CC 20033937 WXLBIJAQUYXRFZ-UHFFFAOYSA-N 383.315 3.744 0 40 GHAB Cc1cc(C(=O)Nc2ccc(Br)cc2Cl)ccc1-n1cnnn1 59017669 PBGSXBOBIXIIKV-UHFFFAOYSA-N 392.644 3.639 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@H]1CCCO1 2414968 ULXQRDWHCPNLOH-BEFAXECRSA-N 397.377 3.795 0 40 GHAB COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1cccc(O)c1 2433490 XUWCRMLQNOSMJU-LJQANCHMSA-N 393.439 3.697 0 40 GHAB CC(C)(C)OC(=O)C[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 2510573 BSWAVDINBJTJNU-OAHLLOKOSA-N 397.471 3.618 0 40 GHAB O=C(CSc1nc(-c2ccc(F)cc2)cs1)NC(=O)NCc1ccco1 3472917 OYDVEOBDCKEERN-UHFFFAOYSA-N 391.449 3.660 0 40 GHAB aggregator COc1cccc(-c2nnc(SCC(=O)NC(C)(C)C)n2-c2ccccc2)c1 3426991 OKMLFYBBVLSSQO-UHFFFAOYSA-N 396.516 3.950 0 40 GHAB Cc1ccc(Cl)c(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1Cl 3595899 QEMOAFORLOKXGF-ZMZPIMSZSA-N 398.290 3.741 0 40 GHAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(C)c(C(=O)O)c1 13349738 RCVGIBSAVCKJPT-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB Cc1nc(SCc2ccc(F)c(Br)c2)sc1CC(N)=O 49517175 LDRHQKSCXMUWJJ-UHFFFAOYSA-N 375.288 3.673 0 40 GHAB Cc1ccc(N(C(=O)CCCc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1C 4165402 OTXASVMCSNHWPB-NRFANRHFSA-N 383.513 3.970 0 40 GHAB COCCCNC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCC2 5027490 QXKAYDNMBJCIBQ-UHFFFAOYSA-N 386.517 3.954 0 40 GHAB COc1ccc(N2C[C@H](C(=O)Nc3nc4c(C)cccc4s3)CC2=O)cc1 5060895 NQDCZJVUSLJMEG-CYBMUJFWSA-N 381.457 3.605 0 40 GHAB CC(=O)c1ccccc1OCCN1CCN(c2nsc3ccccc23)CC1 13735937 NTVAPHJSOUJRJA-UHFFFAOYSA-N 381.501 3.700 0 40 GHAB CCN1CCN(c2ccc(NC(=O)COc3ccccc3C)cc2Cl)CC1 6241893 ZMTFGZLCRYQKRH-UHFFFAOYSA-N 387.911 3.808 0 40 GHAB COc1ccc([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc1OC 4519934 AJGMRVSUWNETMV-HNNXBMFYSA-N 399.830 3.689 0 40 GHAB CCCCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1 6756951 VODGDPISTKASAN-SFHVURJKSA-N 388.489 3.689 0 40 GHAB O=C(CSc1nccc(O)n1)N(CCc1ccccc1)Cc1ccccc1 4864475 ONKHUCRJZCMZJJ-UHFFFAOYSA-N 379.485 3.546 0 40 GHAB COc1ccc(-c2noc(CSc3ncnc4ccccc34)n2)c(OC)c1 6991408 JFKORYQCVDKZCR-UHFFFAOYSA-N 380.429 3.989 0 40 GHAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2c(C)cccc2Cl)cc1 67198647 UNSGYFOFNKSIAN-UHFFFAOYSA-N 397.862 3.828 0 40 GHAB CCc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1 67299462 UPROZOMHRYZASU-UHFFFAOYSA-N 398.532 3.585 0 40 GHAB Cc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc3c(c2)OCO3)c(C)c1 7059543 PGEDOMYFPOOIJK-UHFFFAOYSA-N 396.468 3.823 0 40 GHAB CC(C)(C)c1ccc2c(Cl)c(C(=O)N[C@@H]3CCS(=O)(=O)C3)sc2c1 26688087 BANZNVHAXAPXHD-LLVKDONJSA-N 385.938 3.769 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccccn2)cc1 7113842 BBGJSBBENKHATE-SDNWHVSQSA-N 387.439 3.672 0 40 GHAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3c(C)nn(C)c3C)n2)cc1 96997523 IHRSGNQHFYBQFK-NSHDSACASA-N 397.504 3.610 0 40 GHAB Cc1sc2ncn(NC(=S)Nc3cccc(Cl)c3C)c(=O)c2c1C 16271581 OJIUKNWCUMBJOX-UHFFFAOYSA-N 378.910 3.977 0 40 GHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N(C)CC(=O)Nc1ccc(Cl)cc1 8074845 XOEYDTQUZOSMTJ-UHFFFAOYSA-N 397.306 3.865 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c(OC)c1 84651692 AYSFAWNHUCRERT-AWEZNQCLSA-N 378.428 3.550 0 40 GHAB CCOCCCC(=O)O[C@@H](CC(=O)OCC)c1ccc(Br)cc1 95444251 AOTOSABVJBJYMZ-HNNXBMFYSA-N 387.270 3.803 0 40 GHAB CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)cc1OC 89267862 UOZPNBOMLIIKGK-UHFFFAOYSA-N 392.858 3.849 0 40 GHAB COC(=O)c1cn(CC(=O)N(C)[C@@H]2CCCc3ccccc32)c2ccccc12 26362524 WJDUGGCYYLCSCI-HXUWFJFHSA-N 376.456 3.964 0 40 GHAB COc1cc(/C=C\C(N)=O)cc(Br)c1OCc1ccccc1C 409416184 CTZPLPRMCLQFNM-FPLPWBNLSA-N 376.250 3.844 0 40 GHAB Cc1ccccc1C(=O)N(Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 27663957 KYHOSDUEGJPTCY-FQEVSTJZSA-N 393.508 3.978 0 40 GHAB CC(C)C(NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)C(C)C 409329606 GDXFTMRNACFMDF-UHFFFAOYSA-N 388.533 3.922 0 40 GHAB C[C@@H]1CN(c2ccc(CNC(=O)c3csc4c3CCCC4)cn2)C[C@@H](C)O1 32930459 FARUMUQLKPIARX-HUUCEWRRSA-N 385.533 3.566 0 40 GHAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 409002759 PULPBXLKBOSUMI-PBHICJAKSA-N 396.443 3.895 0 40 GHAB COC(=O)c1ccc(CS(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 30758996 HCQCMDGDVIJEMW-IBGZPJMESA-N 375.490 3.680 0 40 GHAB O=C(NCc1cn2ccsc2n1)NC1(c2ccc(F)cc2F)CCCC1 535561237 KHFXUCVRAKQABQ-UHFFFAOYSA-N 376.432 3.943 0 40 GHAB CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccccc2Br)CC1 79033450 NXXMVSPXGZXQIU-UHFFFAOYSA-N 384.270 3.802 0 40 GHAB CCOC(=O)c1c(-c2cccs2)csc1NC(=S)N1CCOCC1 36646101 KCZGIVPYLCVGCN-UHFFFAOYSA-N 382.532 3.682 0 40 GHAB O=C(CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1F 32929648 FGRKLLRJDYXQGY-UHFFFAOYSA-N 394.226 3.825 0 40 GHAB O=C(C1CCOCC1)N1CCC[C@H](CCc2ccnc(Nc3ccccn3)c2)C1 72378216 ANJJMDSGUSAWSN-LJQANCHMSA-N 394.519 3.818 0 40 GHAB CCCCN(C)c1ncc(Cl)c(C(=O)Nc2ccc(OCCOC)cc2)n1 40156776 ARWNSTYQUJVTMK-UHFFFAOYSA-N 392.887 3.644 0 40 GHAB O=S(=O)(Cc1cccc(F)c1)N(Cc1ccsc1)Cc1ccccn1 49521613 YXMQIWIXAUWPTR-UHFFFAOYSA-N 376.478 3.814 0 40 GHAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)NCCC1=CCCCC1 225726325 CKEHZSBZUFRTJN-UHFFFAOYSA-N 389.293 3.771 0 40 GHAB Cc1cc(C)n(CCCNC(=O)CCCOc2ccccc2Br)n1 47717365 CTRQAOYDNIRWRX-UHFFFAOYSA-N 394.313 3.628 0 40 GHAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F 224428048 WBCBGLXEANGOGJ-UXHICEINSA-N 396.491 3.846 0 40 GHAB COc1ccc([C@H](NC(=O)NCc2ccc(Br)s2)C2CC2)cn1 527652352 NMZBJWTVDPROAB-OAHLLOKOSA-N 396.310 3.865 0 40 GHAB CCc1ccc(N([C@@H](C)C(=O)Nc2c(C)cccc2CC)S(C)(=O)=O)cc1 220275485 KDVYCUZINHAMAW-INIZCTEOSA-N 388.533 3.913 0 40 GHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)c1ccccc1 223796171 QVOGXXHYXISZJO-UHFFFAOYSA-N 398.528 3.883 0 40 GHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)n1C 224007387 UNQHABRSQDXYAK-WOJBJXKFSA-N 392.484 3.634 0 40 GHAB O=S(=O)(NCc1ccccc1CN1CCCCC1)c1ccc(Cl)cc1 137725443 CIPHZBZHSMQODA-UHFFFAOYSA-N 378.925 3.804 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1OC 222775821 RDYULYRZHBAKCQ-WOJBJXKFSA-N 378.501 3.873 0 40 GHAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 223630287 YVTZEODJBXSQBM-UXHICEINSA-N 397.475 3.836 0 40 GHAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223862170 VJKXRDHMBWBMOB-HZPDHXFCSA-N 397.496 3.888 0 40 GHAB COc1cccc(CN2CC[C@]3(COCc4cnc(-c5ccccc5)nc43)C2)c1 96244342 UKGZUYMRCFDUEC-XMMPIXPASA-N 387.483 3.826 0 40 GHAB Cc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)cc1Cl 243252173 KQHVBLDCIOEACC-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB COCCOc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)c1 257279916 OIRVOZCTEHWAHU-MYRUNHTGSA-N 387.520 3.730 0 40 GHAB COc1ccccc1CNC(=O)c1ncccc1-c1cccc(CN(C)C)c1 257334468 YGAONLAXTZVCHV-UHFFFAOYSA-N 375.472 3.749 0 40 GHAB Cn1cncc1-c1cccc([C@@H]2CCCN(Cc3ccc(C(=O)O)cc3)C2)n1 257207710 BIWZUKMCBZCILR-GOSISDBHSA-N 376.460 3.560 0 40 GHAB O=C(Nc1cccc(Br)c1)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 253470962 AHKFNAFUIVXTNM-CYBMUJFWSA-N 397.656 3.918 0 40 GHAB O=C(C[C@H]1SC(=O)NC1=O)Nc1ncc(Cc2cccc3ccccc23)s1 257173392 LVTCONPHIDPFTN-OAHLLOKOSA-N 397.481 3.567 0 40 GHAB O=C1CCCC[C@]2(CN(C(=O)CCc3ccccc3)C[C@H]2c2cccc(F)c2)N1 257294236 QTDPQGHQRQHCRS-XUZZJYLKSA-N 394.490 3.813 0 40 GHAB COc1ccc(CN(C)C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cn1 676643895 RAILOLSAJSTJAI-GFCCVEGCSA-N 389.406 3.738 0 40 GHAB Cn1ccnc1C[C@@H](Nc1nc(C(F)(F)F)nc2[nH]cnc12)c1ccccc1 683459485 TXXLAPSHMMWZDQ-GFCCVEGCSA-N 387.369 3.501 0 40 GHAB O=C(COc1ccc(F)cc1)NCc1ccc([C@H](O)c2cccs2)s1 90613560 OUBKVTYSKWYJJL-GOSISDBHSA-N 377.462 3.726 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(C(=O)c2ccsc2)s1 96119844 SGKJQFASRNRRPM-UHFFFAOYSA-N 395.502 3.967 0 40 GHAB C[C@H](NC(=O)NCc1c(C2CC2)cnn1C)c1ccc(Br)cc1F 661178679 IODBYMKCEPQUED-JTQLQIEISA-N 395.276 3.760 0 40 GHAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)/C=C/CN(C)C)C2)n1 585293088 WPUQXVRHHFXALF-QPGLYAHGSA-N 393.535 3.661 0 40 GHAB Cc1nn(C)cc1CCC(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615154473 GMDRSKGGFBIIHA-QHCPKHFHSA-N 398.526 3.850 0 40 GHAB C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1nc(-c2cccnc2)n[nH]1 12114765 DBAWKCMBFROQKA-ZDUSSCGKSA-N 381.867 3.819 0 40 GHAB Cc1ccccc1[C@H](NC(=O)c1cc2c([nH]c1=O)CCCCC2)c1ccncc1 12148513 DFEAHEBEZDARGG-JOCHJYFZSA-N 387.483 3.867 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cccnc3)cc2n1 12276523 YDGFAMWGCXUQSP-HNNXBMFYSA-N 389.381 3.683 0 40 GHAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 14000046 DHFGQOKIZXHZCM-KRWDZBQOSA-N 396.487 3.736 0 40 GHAB Cc1nc(NC(=O)CSc2nc3ccccc3o2)nc2c1C(=O)CC(C)(C)C2 16266319 IEWKJRVWFYOADE-UHFFFAOYSA-N 396.472 3.812 0 40 GHAB CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)C(C)(C)C)C1 19081118 MBSFBSZAKKSBKV-HSZRJFAPSA-N 397.519 3.627 0 40 GHAB Cc1csc2c(=O)n3c(nc12)CCN(Cc1ccccc1C(F)(F)F)CC3 19240329 JBYOBQNBJPDBHQ-UHFFFAOYSA-N 393.434 3.844 0 40 GHAB O=C(C1CC1)N1CCC(c2nc(-c3ccncc3)ncc2-c2ccncc2)CC1 19405726 DPVOAEUVTSTPPO-UHFFFAOYSA-N 385.471 3.717 0 40 GHAB CCc1noc(C)c1C(=O)N1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1 19521259 OSZPPCCPFFNRAG-UHFFFAOYSA-N 397.519 3.823 0 40 GHAB COc1ccc(Cc2cnc(NC(=O)c3ccc(Cn4ccnc4)o3)s2)cc1 19555966 RKZCWTHLAOQZRA-UHFFFAOYSA-N 394.456 3.833 0 40 GHAB Cc1nc(-c2cncnc2[C@@H]2CCN(Cc3c(C)[nH]c4ccc(F)cc34)C2)no1 19693808 FVUCYVSVVSJNRQ-CQSZACIVSA-N 392.438 3.753 0 40 GHAB Cc1c(CN2CC[C@@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cnn1C 19704537 AAYHCOKGWOKUIC-OAHLLOKOSA-N 385.899 3.674 0 40 GHAB COCc1cc(C)nc2c1C(=O)N1C(=O)c3ccccc3[C@@H]1N2Cc1ccccc1 19932529 YKACTSFZSNNDBM-JOCHJYFZSA-N 399.450 3.851 0 40 GHAB O=Cc1cn(C(=O)c2ccc(I)cc2)c2ccccc12 226366681 VNZKNIVUVWNLRL-UHFFFAOYSA-N 375.165 3.747 0 40 GHAB O=C(Nc1nc(CCC(=O)N2CCCCCC2)cs1)NC1CCCCC1 16849259 OARUJDHHMGDHEJ-UHFFFAOYSA-N 378.542 3.933 0 40 GHAB O=C(Nc1nc(CC(=O)N2CC[C@@H]3CCCC[C@H]3C2)cs1)c1ccccc1 29122404 RBRJBOKYJRDQDD-RDJZCZTQSA-N 383.517 3.977 0 40 GHAB COc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1OC 4375428 YOZBREGSNUAIET-UHFFFAOYSA-N 386.448 3.939 0 40 GHAB O=C(COc1ccc(F)cc1)NC[C@@H](c1ccsc1)N1CCCCCC1 8863199 IRFIMPIWXWCPDD-IBGZPJMESA-N 376.497 4.000 0 40 GHAB CC(C)C(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2C1 8977090 KRVNALMCJPBNKN-UHFFFAOYSA-N 398.937 3.743 0 40 GHAB O=C(NCCNc1ccc(Nc2ccncc2)nn1)Nc1ccccc1Cl 11697831 GJZKNIXVWDMOBN-UHFFFAOYSA-N 383.843 3.502 0 40 GHAB COc1cc(C(=O)NCc2cc(-c3ccc(C)cc3)on2)cc(OC)c1OC 12235542 GYRYCRCWMSIRAC-UHFFFAOYSA-N 382.416 3.606 0 40 GHAB C[C@@H](Oc1ccccc1F)C(=O)N1Cc2ccccc2[C@H](c2cnn(C)c2)C1 575619648 OHVGRUNLVMSWJS-BEFAXECRSA-N 379.435 3.501 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2ccccc2F)CC1 35088669 PHJKWLGEYWBQCC-GLHSZLCASA-N 392.559 3.786 0 40 GHAB CC(=O)Nc1ccc(C(=O)COC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 51796186 ZKIGIUVRDBOOBG-OCCSQVGLSA-N 389.345 3.879 0 40 GHAB O=C(NC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1)c1ccccc1 32470168 PESAXNUIXIYLGB-UHFFFAOYSA-N 376.500 3.919 0 40 GHAB CC(C)Cc1ccc([C@H](NC(=O)NCc2nnc3ccccn23)C2CC2)cc1 101773909 JEOGNFALOQRXAL-NRFANRHFSA-N 377.492 3.878 0 40 GHAB CC(=O)Nc1ccc(NC(=O)COc2ccc(Br)cc2)cc1C 863693 ZBHBXYQLIWPSTR-UHFFFAOYSA-N 377.238 3.733 0 40 GHAB CCCCOC(=O)c1ccc(OC(=O)c2cc(OC)c(OC)cc2OC)cc1 2069701 KBLIHGUMPHBLQH-UHFFFAOYSA-N 388.416 3.889 0 40 GHAB Cn1c(SCc2ccc(C(=O)O)cc2)nc2sc3c(c2c1=O)CCCC3 2373906 SZGGWOTZZVCPPL-UHFFFAOYSA-N 386.498 3.864 0 40 GHAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)no2)cc1 21805492 GQWGWGBSBHDNGM-SFHVURJKSA-N 397.500 3.515 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1C[C@@H]1c1ccccc1 669623 IZTOXBAVGARGNF-IAGOWNOFSA-N 399.497 3.686 0 40 GHAB COc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)NCc1ccccc1 8113135 CONGNVWODFRGJE-UHFFFAOYSA-N 398.528 3.552 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N[C@H]1CCCc2ccccc21 8319710 WGLRDWAGGIBHGS-LEWJYISDSA-N 392.499 3.789 0 40 GHAB CCCCC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 8503450 IBIARGGHIFOWNN-WAIKUNEKSA-N 395.503 3.692 0 40 GHAB COc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 8605575 QDPXABJMRUWAFM-UHFFFAOYSA-N 399.472 3.564 0 40 GHAB Cc1c(C(=O)Nc2ccccc2)sc2ncn([C@@H](C)C(=O)OC(C)C)c(=O)c12 791180 KLQZJDYQSUMUES-ZDUSSCGKSA-N 399.472 3.531 0 40 GHAB CC[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1ccc(C(C)=O)cc1 815666 WSNRPNGTDNOOPU-KRWDZBQOSA-N 395.488 3.589 0 40 GHAB Cc1c(C(=O)Cn2nc(-c3ccccc3F)ccc2=O)c2ccccc2n1C 61719888 GHTSZSQWBPSOOD-UHFFFAOYSA-N 375.403 3.732 0 40 GHAB COc1cccc(C(=O)COC(=O)c2cnc(SC)n2-c2ccccc2)c1 12539488 KXEJPFTWEOJGKR-UHFFFAOYSA-N 382.441 3.643 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OC 1241072 SHSLDETXCHJWBW-LJQANCHMSA-N 397.500 3.525 0 40 GHAB COC(=O)c1c(NC(=O)c2ccn(-c3cccc(F)c3)n2)sc2c1CCCC2 95373559 XZOGBZGACYFPEQ-UHFFFAOYSA-N 399.447 3.991 0 40 GHAB CCc1oc2ccccc2c1/C=C/C(=O)Nn1c(C)nc2sccc2c1=O 95348651 LUWNPWYZCLSDMO-CMDGGOBGSA-N 379.441 3.859 0 40 GHAB O=C1CC2(CCN(S(=O)(=O)c3cccs3)CC2)Oc2ccc(Cl)cc21 170550350 GRNNQOSNOVNUMY-UHFFFAOYSA-N 397.905 3.590 0 40 GHAB COc1ccccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 3376883 XJDXSABXKLJSKX-UHFFFAOYSA-N 375.428 3.998 0 40 GHAB Cc1ccc(-n2c(C)nc3ccc(I)cc3c2=O)c(C)c1 1849091 RLIYGZRMLCTDBL-UHFFFAOYSA-N 390.224 3.916 0 40 GHAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc(Cl)c(Cl)c1 12768437 LZADWLVGAFQDQI-PKNBQFBNSA-N 399.299 3.912 0 40 GHAB CCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)O 2099122 DXDVPNKCUWICPB-QGZVFWFLSA-N 399.443 3.767 0 40 GHAB biogenic CCN(CC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 12755432 PCXFZVUOBNKURC-ZDUSSCGKSA-N 393.409 3.513 0 40 GHAB CCOc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1OCC 12746604 MADCLNDZBQDEML-UHFFFAOYSA-N 382.504 3.878 0 40 GHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCSc2ccccc21 10224669 OWOAEUVCCPPQLB-PMACEKPBSA-N 393.512 3.568 0 40 GHAB CCCCNS(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 2153618 OQRNRHWTQXAEDL-UHFFFAOYSA-N 398.887 3.739 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)NCc3ccccc3)CC2)c(C)c1 12893821 MSWDNTRNVIDAAR-IBGZPJMESA-N 393.531 3.659 0 40 GHAB COc1ccc(Cc2nn3c(CCc4ccccc4)nnc3s2)cc1OC 10311894 VQRHBAHHUHISOX-UHFFFAOYSA-N 380.473 3.579 0 40 GHAB COc1ccc(OC)c(CN(C2CC2)S(=O)(=O)c2cc(C)ccc2C)c1 28055879 XIXVRFYOFFHFFY-UHFFFAOYSA-N 375.490 3.674 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)cc1 12871651 WERQOQKSNJYOAR-KRWDZBQOSA-N 396.306 3.984 0 40 GHAB Cc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)c(C)c1 36390592 ZWYCQTPZQWHWQV-MRXNPFEDSA-N 390.281 3.804 0 40 GHAB CCOc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1OCC 3431161 UMJBWQWFBJJZOH-UHFFFAOYSA-N 375.421 3.762 0 40 GHAB CSc1ccc(-c2csc(NC(=O)c3nc4nc(C)cc(C)n4n3)n2)cc1 29300729 HDOJSYSKLHHLOE-UHFFFAOYSA-N 396.501 3.839 0 40 GHAB Cc1ccc(-c2csc(=O)n2CC(=O)N[C@@H]2CCOc3ccccc32)cc1 12984663 UKXZRROYIUIELX-QGZVFWFLSA-N 380.469 3.525 0 40 GHAB O=C(N[C@@H](c1ccccc1)C1CC1)C1CCN(C(=O)OCC(F)(F)F)CC1 13019504 GCULVPZHJIBKQI-INIZCTEOSA-N 384.398 3.665 0 40 GHAB COc1ccccc1CN1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 83980168 PKAVKNXTFUEFJM-UHFFFAOYSA-N 388.895 3.508 0 40 GHAB Cc1ccc(NC(=O)COc2cccc(/C=C3/SC(=O)N(C)C3=O)c2)cc1C 409369860 GNUUYPPEEUNKOI-WOJGMQOQSA-N 396.468 3.987 0 40 GHAB O=C(COc1ccc(-c2nccc(-c3ccccn3)n2)cc1)NCc1ccccc1 4052074 ZECMAYZKEDTMSL-UHFFFAOYSA-N 396.450 3.901 0 40 GHAB CC/C(Nc1ccc2c(c1)CCC2)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 9009264 KVZMXECDBIULJC-VHEBQXMUSA-N 375.428 3.534 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2cccc(OC)c2)cc1 5026899 JVOIZWFRNKMGNC-HXUWFJFHSA-N 391.427 3.653 0 40 GHAB Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc(Cl)cc1 4287410 GCHIRMREODZJRG-UHFFFAOYSA-N 378.910 3.606 0 40 GHAB Cc1ccc(F)cc1NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 6154154 NLUBUGMNSWGTTI-UHFFFAOYSA-N 385.464 3.882 0 40 GHAB O=C(/C(=C/c1ccccc1OC(F)F)c1nc2ccccc2[nH]1)N1CCOCC1 5269856 CNAXXFSEUBASPI-FYWRMAATSA-N 399.397 3.564 0 40 GHAB COc1ccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)cc1 6368920 NEPLEVPYJPGCRJ-UHFFFAOYSA-N 387.233 3.864 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 14170444 MYQIIQMIUJIJRC-OAHLLOKOSA-N 392.546 3.911 0 40 GHAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 408598368 ZMLLVCIGXLZTBZ-UHFFFAOYSA-N 383.420 3.543 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCc3cc4c(cc3[C@@H]2C)OCCCO4)cc1C 5427091 GSOFVHHMOHGWFF-INIZCTEOSA-N 387.501 3.773 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1C(=O)NCc1ccccc1 6638078 ZZPFKMFXHAMLEG-XLIONFOSSA-N 380.488 3.690 0 40 GHAB COc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(C)cc2)cc1 4732451 IBTMPCAZWOZXKK-UHFFFAOYSA-N 399.454 3.958 0 40 GHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)c(C)c2)n1 4863898 JXQNMPKMAHKQIO-UHFFFAOYSA-N 396.310 3.524 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(Cl)c1)S2 6811771 JKTIARLOIYUJHL-IRXDYDNUSA-N 399.907 3.892 0 40 GHAB O[C@H](CO[C@H]1CCCc2ccccc21)CSc1nncn1-c1ccccc1 7032075 BHJNVRZWJFAOMR-QUCCMNQESA-N 381.501 3.815 0 40 GHAB CCCOc1ccccc1/C=c1\sc2nc(/C=C/c3ccccc3)nn2c1=O 27021586 JQLHJIZGEFEBBZ-JFNIHZHXSA-N 389.480 3.658 0 40 GHAB Cc1ccc2nsnc2c1NC(=O)c1cccc(I)c1 16348805 KCZJTHFEYCNYFG-UHFFFAOYSA-N 395.225 3.857 0 40 GHAB COCSC1=N[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N1 7983340 DFYZFBWAYUMFRZ-INIZCTEOSA-N 380.535 3.972 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 7988922 QDDNNNQLTDZKET-UHFFFAOYSA-N 379.456 3.916 0 40 GHAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc2c(c1)OCO2 408817821 MEAZWURKQDGOQA-NVMNQCDNSA-N 399.424 3.669 0 40 GHAB Cc1ccc(C(=O)N2CCCC[C@@H]2C2OCCO2)cc1NC(=O)c1ccccc1 69216017 AZVBVKIEFHPOSX-HXUWFJFHSA-N 394.471 3.615 0 40 GHAB O=C(Nc1ccc(N2CCOC2=O)cc1)c1cc(Cl)c2c(c1)OCCCO2 70038990 MUWHKXHZHADBRL-UHFFFAOYSA-N 388.807 3.710 0 40 GHAB Cc1cccc(-c2nnc(S[C@H](C(=O)NC3CC3)c3ccccc3)n2C)c1 17539825 YIXAABBOMFZMSB-SFHVURJKSA-N 378.501 3.903 0 40 GHAB O=C1[C@@H](Cc2nc3ccccc3o2)n2nc(-c3ccccc3)nc2[C@@H]2CCCN12 95459213 FDZMCLWHEALDDU-DLBZAZTESA-N 385.427 3.547 0 40 GHAB COc1ccccc1-c1cc(C(=O)Nc2nc(-c3ccncc3)cs2)[nH]n1 95473619 MPBLCYVPZHKIDY-UHFFFAOYSA-N 377.429 3.856 0 40 GHAB COc1cccc(-n2cc(C(=O)OCc3ccccn3)c3ccccc3c2=O)c1 21359854 WUDFOFOOMZOZPE-UHFFFAOYSA-N 386.407 3.751 0 40 GHAB CCCCOc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1OC 23133056 SRTMNQYBIBHUTA-KRWDZBQOSA-N 376.522 3.968 0 40 GHAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc(C(=O)OC)c1 20104869 OMXWXYWCIHBGLI-CQSZACIVSA-N 399.443 3.789 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CCCCC1 408585358 FOMNZTNSJNZKNV-UHFFFAOYSA-N 399.516 3.846 0 40 GHAB O=C(NCc1cccc(Cl)c1)C(=O)NCC(c1ccccc1)c1ccccc1 408706663 CBSIMZGOVIGBEP-UHFFFAOYSA-N 392.886 3.905 0 40 GHAB O[C@H](c1cccnc1)c1cccc(F)c1N1CCN(Cc2ccccc2F)CC1 72340661 MYBPKDFURXOIRK-HSZRJFAPSA-N 395.453 3.764 0 40 GHAB Cc1ccc(Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3cccnc32)cc1 6805183 QLKORGTZVMZREV-UHFFFAOYSA-N 391.858 3.617 0 40 GHAB Cc1ccc2c(n1)N(C)[C@H](c1ccc(NC(=O)C[C@H]3C=CCC3)cc1)NC2=O 72341183 UDKBFCIPEVDKHM-MGPUTAFESA-N 376.460 3.563 0 40 GHAB CCn1cc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2CC)cn1 32604039 NAVJZGFAHXZFDS-UHFFFAOYSA-N 390.900 3.566 0 40 GHAB Cc1n[nH]cc1C(=O)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72384007 RUYINGFKHNXVCB-QGZVFWFLSA-N 383.839 3.931 0 40 GHAB COCCn1ccc2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc21 79501386 WEMXOSOOZCVZNW-UHFFFAOYSA-N 376.460 3.527 0 40 GHAB O=C([C@@H]1COc2ccccc2O1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 32594232 MBCURHADQURWIL-XLIONFOSSA-N 387.863 3.688 0 40 GHAB O=C(NCCCN1CCc2ccccc2C1)c1ccc(Br)s1 32399236 MVKMSLDBUBKIOK-UHFFFAOYSA-N 379.323 3.689 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(=O)O)cc2)n2nc(C)cc2N1 72332698 DHAPKVRKAIKBOZ-FQEVSTJZSA-N 388.427 3.817 0 40 GHAB CCOC(=O)c1ccc(Nc2cc(N)nc(-c3ccc(OC)c(OC)c3)n2)cc1 49468197 SRPPWFSRWBJQHM-UHFFFAOYSA-N 394.431 3.663 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C)cc1 225379766 IRYDBMBWFGRZDQ-OAHLLOKOSA-N 390.936 3.904 0 40 GHAB CCOc1ccc2c(c1)OC1(CCN(C(=O)Cc3ccccc3)CC1)CC2=O 225820640 AKOHJNFFPWJXRG-UHFFFAOYSA-N 379.456 3.654 0 40 GHAB COc1cc2nc(CN3CCc4sc(Cl)cc4C3)nc(O)c2cc1OC 572034471 UMNOVQHXOWDDIG-UHFFFAOYSA-N 391.880 3.626 0 40 GHAB COC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2ccccc2c1 225044224 DTIYATWWLXFAJO-UHFFFAOYSA-N 383.469 3.825 0 40 GHAB O=C(COc1ccc2c(c1)CCCC2)N1CCN(C/C=C/c2ccccc2)CC1 223258697 ISXRDLVVFMKSTO-RMKNXTFCSA-N 390.527 3.802 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC(C)CC2)n1 225891226 HIOCYEINNHJTFU-UHFFFAOYSA-N 390.601 3.646 0 40 GHAB CC(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 223580007 PXQDFVVNJBCORS-UHFFFAOYSA-N 391.880 3.992 0 40 GHAB COc1ccc(C2(CNC(=O)Cc3cc(F)c(F)cc3F)CCOCC2)cc1 96232103 IMDDGXZDPMZBQF-UHFFFAOYSA-N 393.405 3.520 0 40 GHAB COc1cccc(C(=O)N2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)c1 96113175 ZWRLRRMPXXFSSN-GOSISDBHSA-N 395.377 3.634 0 40 GHAB biogenic,in-vitro CCOC(=O)[C@]12CCCN(Cc3ccc(F)cc3)C[C@H]1CN(c1ccccn1)C2 96056045 BLDBCYAZHUVPHF-CVDCTZTESA-N 397.494 3.502 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 239808067 KFQHJGUXFCKPET-IBGZPJMESA-N 380.469 3.689 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21 96241948 XSFYTCKKYNJWLK-IBGZPJMESA-N 391.515 3.658 0 40 GHAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 243822469 QWALJAQSEABYJP-ZDUSSCGKSA-N 393.270 3.671 0 40 GHAB COC(C)(C)C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257286260 PKXSXZGRJPFBTN-FUHWJXTLSA-N 393.911 3.986 0 40 GHAB COc1ccc(Br)c(NC(=O)NC[C@@H]2CCN(C(C)(C)C)C2)c1 665920471 IAIQCCGHCJNTOI-LBPRGKRZSA-N 384.318 3.700 0 40 GHAB C[C@@]1(Cn2cccn2)NC(=O)N(c2ccc(Oc3ccccc3Cl)cc2)C1=O 1615613435 VMPUTHLIORGHMZ-FQEVSTJZSA-N 396.834 3.844 0 40 GHAB O=C(N[C@H](c1cccc(Cl)c1)C1CCCCC1)[C@H]1CC[C@@H](C(=O)O)NC1 630687741 IBQHRKWVIHYQJM-SZMVWBNQSA-N 378.900 3.530 0 40 GHAB COCc1noc([C@@H](C)N2CCC3(CCN(Cc4ccccc4)CC3)CC2)n1 639727645 WEMRETQWBHFOBH-GOSISDBHSA-N 384.524 3.655 0 40 GHAB CC[C@H](NCc1cc(Br)cnc1OC)c1ccc2c(c1)OCCO2 660188508 IULIPIOIVFWHOF-HNNXBMFYSA-N 393.281 3.865 0 40 GHAB COc1cccc(OCC(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)c1 96119056 SIJNMJMPJOCZKL-AWEZNQCLSA-N 399.472 3.592 0 40 GHAB O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc(-n2cccn2)cc1 390832437 ZMEMKHZENYAIBY-UHFFFAOYSA-N 379.441 3.611 0 40 GHAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2cc3cccn3cn2)cc1 585091730 FZGBLKSPEJPFIY-UHFFFAOYSA-N 385.423 3.875 0 40 GHAB COc1ccc(CN2CCOC[C@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)cc1 585104187 KKJLFSUVAXPZEG-NTKDMRAZSA-N 394.515 3.507 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(F)cc2)no1 11281069 IDSSKZGFWGDONZ-UHFFFAOYSA-N 399.407 3.694 0 40 GHAB O=C([C@@H](c1ccccc1)C1CCCC1)N1CCC(n2nnc3cccnc32)CC1 12088702 KXLREDMEBLBKMC-NRFANRHFSA-N 389.503 3.964 0 40 GHAB CC[C@H](C)C(=O)N1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12123544 UDUGLIVFKZDUGV-XJKSGUPXSA-N 381.480 3.753 0 40 GHAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2cccnc2)cc1 12145574 OVYBANPPHAWTKP-LJQANCHMSA-N 376.460 3.719 0 40 GHAB CC(C)Oc1cc(CCC(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)on1 12147563 BRNHMVJTZPNAGU-UHFFFAOYSA-N 398.438 3.509 0 40 GHAB Cc1cccc(OCc2nnc(SCc3cc(=O)c4ccccc4[nH]3)n2C)c1 15865308 CXIHQELKMPKOBK-UHFFFAOYSA-N 392.484 3.836 0 40 GHAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 19117857 RLVFZMSNOLXBIK-OAHLLOKOSA-N 381.505 3.575 0 40 GHAB O=C(NC1CCN(Cc2c(C(F)(F)F)[nH]c3ncccc23)CC1)C1CCCC1 19345111 IPCLZHYJXMPYFZ-UHFFFAOYSA-N 394.441 3.853 0 40 GHAB Fc1ccccc1N1CCN(Cc2c(C3CCOCC3)[nH]c3ncccc23)CC1 19349924 AQLVLXIKBBJOMS-UHFFFAOYSA-N 394.494 3.918 0 40 GHAB O=C(CC1CCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccnc(N2CCCC2)n1 19404120 DWEQMVXJFYADBW-IBGZPJMESA-N 394.523 3.711 0 40 GHAB COc1ccc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1OC 19453621 ZVWMPIMCPBQAGW-UHFFFAOYSA-N 396.535 3.776 0 40 GHAB Cc1ccc(CC(=O)N2CCC(c3ccc4c(C)nn(C)c4n3)CC2)cc1C 19744731 RWTJKYQAMIGZPA-UHFFFAOYSA-N 376.504 3.842 0 40 GHAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc(C)n(-c3ccc(F)cc3F)n2)c1 155759413 GOBUONQKSYSBCI-ZDUSSCGKSA-N 398.413 3.908 0 40 GHAB COc1ccc(C[C@H](C)c2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 544963134 PSPZQAZCVUQCSG-RDJZCZTQSA-N 377.444 3.945 0 40 GHAB CCN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)c1cccc(F)c1)c1ccccc1O2 12274971 JYPVRVGEFMOJOY-CVDCTZTESA-N 396.462 3.851 0 40 GHAB COc1ccc(-c2ccc(CN3CCC(O)(Cn4ccnc4C)CC3)cc2)cc1 19287979 DITIFLDDUZYFQL-UHFFFAOYSA-N 391.515 3.894 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@]3(CCCN(Cc4cccnc4)C3)C2)s1 2056223589 UQAQWPZBWCLWSI-NRFANRHFSA-N 384.549 3.673 0 40 GHAB CCn1cc(CN2CCC[C@@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)cn1 1565542517 KVTQNULUKVGCQU-JOCHJYFZSA-N 384.499 3.589 0 40 GHAB Clc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 9708953 VXFVQZGFKVLIFW-UHFFFAOYSA-N 382.855 3.849 0 40 GHAB COc1ccc(C(=O)Nc2nc(CC(=O)NCc3ccc(C)cc3)cs2)cc1 15880986 ICESDFYZRFWUNB-UHFFFAOYSA-N 395.484 3.571 0 40 GHAB CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2ccccc2)CC1 22457014 KRADHUQCGOYLCW-QFBILLFUSA-N 388.606 3.802 0 40 GHAB Cc1cc(OC[C@@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)ccn1 1775970136 CQFIDICSUAKDQL-GOSISDBHSA-N 376.460 3.507 0 40 GHAB Cc1cc(O[C@@H]2CCCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)nc(C)n1 575607373 BVKFRDYJEWZWIA-LJQANCHMSA-N 394.450 3.911 0 40 GHAB O=C(Cc1csc(Nc2ccc(F)cc2)n1)NCc1ccc2c(c1)OCO2 16850174 YZTHLHXFVMLINV-UHFFFAOYSA-N 385.420 3.613 0 40 GHAB Cc1ccc(CN2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC2=O)cc1 28878006 YZSAIOVNGNXCSB-QGZVFWFLSA-N 390.405 3.679 0 40 GHAB O=C(NO)[C@H](c1ccc(-c2ncc(C(F)(F)F)cn2)cc1)c1ccccc1F 211367641 LMGDHGQJJLEAPQ-MRXNPFEDSA-N 391.324 3.939 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)CN1CCC[C@H](c2nncn2C2CC2)C1 152484452 IEWUWQVEYMDLQL-KRWDZBQOSA-N 381.524 3.863 0 40 GHAB C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105929 LSDXQKSALFOBNF-GFCCVEGCSA-N 386.300 3.960 0 40 GHAB Clc1cccc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)c1 20662084 CRVCKASUKLSSAU-UHFFFAOYSA-N 379.807 3.810 0 40 GHAB Cc1ccc([C@@H](NC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)C2CC2)cc1 32865756 XXJLSJTXGFYOCW-OAQYLSRUSA-N 376.456 3.557 0 40 GHAB CN(C)[C@@H](CNc1cc(C(=O)NC2CC2)c2ccccc2n1)c1cccs1 32837515 LGRMLCFJQOUYRO-SFHVURJKSA-N 380.517 3.903 0 40 GHAB C[C@H]1CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)C1 2664419 UZHPPHXHWWJVIJ-HNAYVOBHSA-N 395.528 3.829 0 40 GHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CCNC(=O)C(C)(C)C)c1 32906824 VWCVNRYNMPDULD-UHFFFAOYSA-N 381.476 3.738 0 40 GHAB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(F)cc2)o1 876169 WVGWZORHRGVQJX-UHFFFAOYSA-N 389.408 3.527 0 40 GHAB Cc1c([C@@H](C)NC(=O)Cn2nc(C)c3ccccc3c2=O)oc2ccccc12 46650415 YTHQZCSHDLDWFR-OAHLLOKOSA-N 375.428 3.637 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccc(O)c2)o1 1224351 MAOHHSGUJBEHJP-UHFFFAOYSA-N 391.836 3.835 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)NC2CCCC2)nnc1-c1cccnc1 1362370 ADQQBOALMGYXDN-UHFFFAOYSA-N 393.516 3.789 0 40 GHAB CCC(CC)C(=O)Nc1nnc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)s1 1381588 SITQTVIOZLPUQW-TXEJJXNPSA-N 384.571 3.794 0 40 GHAB CC(C)(C)OC(=O)N1CCCN([C@@H](C(=O)O)c2ccc3ccccc3c2)CC1 2527344 MAKZZXDCBWXPEM-LJQANCHMSA-N 384.476 3.908 0 40 GHAB O=C(Nc1cc2c(cc1Cl)OCCO2)c1cccc(Nc2ncccn2)c1 46718564 RNFQPQOHAKCJJZ-UHFFFAOYSA-N 382.807 3.897 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)N[C@@H](C)c3ccc(F)cc3)c(C)c2c1 4524887 WCGVADVOGUQKFF-ZDUSSCGKSA-N 385.391 3.923 0 40 GHAB COc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)ccc1OC(F)F 2792346 PFLLYICDUBMPAE-UHFFFAOYSA-N 396.415 3.588 0 40 GHAB CC(=O)Oc1ccc(Br)c(/C=C2\N=C(c3ccccc3)OC2=O)c1 689265 SKSWQFKQGRPNMN-YBEGLDIGSA-N 386.201 3.719 0 40 GHAB CCc1ccccc1NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 6087320 SUKNBFMVJHXYIE-UHFFFAOYSA-N 376.243 3.904 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)o2)cc1 6814669 LTVIBEFYYBWEEL-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB COc1ccc(C)cc1NC(=O)CNc1ccccc1C(=O)NCc1ccco1 7976050 ZVOFINFISNTPFX-UHFFFAOYSA-N 393.443 3.577 0 40 GHAB Cc1ccc(CCCNC(=O)c2ccccc2I)cc1 10110411 NFVBAYFWEWJKOW-UHFFFAOYSA-N 379.241 3.962 0 40 GHAB CN1CCN(c2nc(-c3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)CC1 721138 BNDLOQZZSIXIEC-UHFFFAOYSA-N 383.858 3.750 0 40 GHAB C[C@H](CNC(=O)[C@H](C)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 22772768 UPGIELPGEYXOKG-HEBQGLKUSA-N 391.559 3.626 0 40 GHAB Cc1cc(OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)ccc1Cl 8512033 JTNXNKYVECJSTN-UHFFFAOYSA-N 393.892 3.622 0 40 GHAB CC1CCN(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 10541036 NJZKHIFKYQBZSX-UHFFFAOYSA-N 379.353 3.535 0 40 GHAB C[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1cccc(S(N)(=O)=O)c1 8531760 ZIVSWWJDIAALBE-ZDUSSCGKSA-N 386.498 3.607 0 40 GHAB CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100607351 NWQUJZSEJQHILX-SNHGZMDHSA-N 386.451 3.813 0 40 GHAB CC(C)OC1=NN=C(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)C1 100085343 VVTHHGWHASRMQM-JTQLQIEISA-N 391.838 3.790 0 40 GHAB in-vivo C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nc(-c3ccccc3Cl)cs1)CS2 23681594 KFVPIBQIOPWUEY-GUYCJALGSA-N 393.921 3.856 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CSc3nc(-c4ccccc4)c[nH]3)ccc21 12519889 ABJXUGCVDXTWRF-UHFFFAOYSA-N 392.484 3.717 0 40 GHAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)N2CCCC2)o1 24840480 VGUUVOGHEYAYGC-UHFFFAOYSA-N 389.260 3.623 0 40 GHAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2-c2nnnn2C2CC2)cc1 24843470 BUCFMBZAVBFBRZ-CQSZACIVSA-N 397.504 3.989 0 40 GHAB CCn1cc(Cl)c(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)n1 28229749 VISYKYSUGYYXNN-UHFFFAOYSA-N 382.226 3.846 0 40 GHAB Cn1c(-c2ccccc2)c(C(=O)N2CCC3(CC2)OCCO3)c2ccccc21 24998364 XUYOJYYOEBCANA-UHFFFAOYSA-N 376.456 3.824 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CCCN(Cc4ccc(F)cc4)CC3)n[nH]2)s1 12535900 UHRPEYBBZXDZBM-UHFFFAOYSA-N 398.507 3.934 0 40 GHAB CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccco3)cc2)c1C(F)(F)F 24948577 MYELVETVDHDQKH-UHFFFAOYSA-N 393.321 3.913 0 40 GHAB C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3249155 KCPGMVWLKJANIK-VIFPVBQESA-N 396.230 3.668 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 3288787 GFFNEEJQJKEHLO-DMZKTXOQSA-N 381.476 3.796 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)N(C)C 22679101 FTCNCCMDLNUYMI-HXUWFJFHSA-N 384.520 3.791 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 108029898 MFRVDCODEOTZDN-UHFFFAOYSA-N 384.860 3.501 0 40 GHAB O=C(COC(=O)c1ccc(F)cc1Cl)Nc1ncc(Cl)cc1Cl 3264633 HMEDKUZMGNIJOS-UHFFFAOYSA-N 377.586 3.976 0 40 GHAB COc1cc(C(=O)COC(=O)c2c(F)cccc2Cl)cc(OC)c1OC 3250204 LAYSVNZKRDNVAE-UHFFFAOYSA-N 382.771 3.545 0 40 GHAB CCOc1ccc(-c2nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n3n2)cc1 1806277 XPJCTYXNSVXZJY-UYRXBGFRSA-N 391.496 3.888 0 40 GHAB Cc1ccccc1C(=O)NC(NCc1ccco1)(C(F)(F)F)C(F)(F)F 20458905 YAIUPSULENPTDY-UHFFFAOYSA-N 380.288 3.929 0 40 GHAB COc1ccccc1C1(O)CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 57822876 LSAAGHXIDIFWNM-QFIPXVFZSA-N 394.559 3.891 0 40 GHAB COc1ccc2[nH]c(C(=O)NCC(C)(C)N3CCc4ccccc4C3)cc2c1 97104841 UBNMZOLLRDNQTA-UHFFFAOYSA-N 377.488 3.743 0 40 GHAB O=C(CSc1nnc(Cc2c[nH]c3ccccc23)o1)NCc1ccc(F)cc1 21682035 BEFDKZJYFHNLAO-UHFFFAOYSA-N 396.447 3.689 0 40 GHAB CCOC(=O)c1c(NC(=O)Cc2c(C)nn(C(F)F)c2C)sc(C)c1C 58381439 PBNWMINORUQJLC-UHFFFAOYSA-N 385.436 3.931 0 40 GHAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CCN(CC(F)F)CC1 58406297 GUUPQKHHCHVHDY-JTQLQIEISA-N 381.250 3.606 0 40 GHAB Cc1ccc(CN2CCCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 12785849 WAVJCEPIAJRNRI-UHFFFAOYSA-N 398.514 3.836 0 40 GHAB O=c1/c(=C/c2c(Cl)cccc2Cl)sc2nc(-c3ccc(F)cc3)nn12 2323023 LXIZKVKWBOYBLR-ZSOIEALJSA-N 392.242 3.812 0 40 GHAB Cc1nc(C(=O)NCc2ccccc2OC(F)(F)F)nn1-c1ccc(F)cc1 10996724 CPSJOZACOAEPNN-UHFFFAOYSA-N 394.328 3.543 0 40 GHAB COc1cc(CCC(=O)NCCCSc2ccccc2)cc(OC)c1OC 12876942 JMUYBMUAFWJEPK-UHFFFAOYSA-N 389.517 3.944 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(F)c2)c(C)c1 12885114 LDGCMVTWGVRBOP-SFHVURJKSA-N 390.480 3.543 0 40 GHAB Cc1csc(=O)n1CC(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 12801072 WKXVVLRJJSGQKF-INIZCTEOSA-N 397.525 3.709 0 40 GHAB O=C(Nc1nc(-c2cc3cc(Cl)ccc3o2)cs1)[C@H]1CCS(=O)(=O)C1 12911141 MKYOJQCWCSSJRS-VIFPVBQESA-N 396.877 3.583 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 12928555 KFBSWLWVXICMGE-ZDUSSCGKSA-N 390.472 3.585 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)c1C 12907498 WBKYLKDPLPYBJV-LBPRGKRZSA-N 377.824 3.890 0 40 GHAB CCCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccc2nccnc2c1 12981282 ITRZUMSQOLTIRI-IBGZPJMESA-N 388.427 3.836 0 40 GHAB CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(Br)o3)n[nH]2)CC1 64875506 NNGLUSKFYBZSPE-UHFFFAOYSA-N 397.273 3.942 0 40 GHAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)NC[C@H]1CCCO1 4393724 JTCLTPKIZCWODJ-MRXNPFEDSA-N 379.485 3.684 0 40 GHAB O=S1(=O)N(CC2CC2)c2ccccc2C12CCN(Cc1ccsc1)CC2 306132224 LCEDHLAXGDBSDI-UHFFFAOYSA-N 388.558 3.799 0 40 GHAB O=C(CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1)NCc1ccccc1 5219141 MIALHLQCIHKELS-YFNKSVMNSA-N 396.506 3.810 0 40 GHAB C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)N1CCCC1 4516076 ADKWCBIDGUOFDQ-OAHLLOKOSA-N 382.489 3.689 0 40 GHAB CCOc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc1OC 4678361 JWWIIUOWJICSLS-UHFFFAOYSA-N 381.432 3.835 0 40 GHAB COc1cccc(-n2cnnc2SCC(=O)N[C@@H](C)CCc2ccccc2)c1 4843735 OZUPMCCRWRQDRP-INIZCTEOSA-N 396.516 3.506 0 40 GHAB CCc1ccc(NC(=O)[C@H]2Sc3nnc(CC)n3N[C@@H]2c2ccccc2)cc1 6811830 IRHJTHCDSAUXGE-MOPGFXCFSA-N 393.516 3.801 0 40 GHAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)NCc1ccco1 4985386 QXDCPAYIHGHIIZ-AWEZNQCLSA-N 382.489 3.594 0 40 GHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3c2CCCC3)c1 15302338 ZLSMDNHIXFNGPV-UHFFFAOYSA-N 392.908 3.721 0 40 GHAB O=C(c1ccccn1)N1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 306137329 QTDDHNCVTJHYKS-INIZCTEOSA-N 389.484 3.873 0 40 GHAB CC(C)(C)OC(=O)NC1CCN(Cc2ccc(Br)s2)CC1 67387273 IUMPHGLJSJEKDN-UHFFFAOYSA-N 375.332 4.000 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 16000856 BEPIMHYGFHOQTH-ZDUSSCGKSA-N 397.500 3.854 0 40 GHAB Cn1nc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c2ccccc2c1=O 7723881 PHWUFNYYLXEYHH-UHFFFAOYSA-N 398.394 3.588 0 40 GHAB COc1cc(OC)cc(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)c1 16182733 XRDLBOIYKDXFAE-UHFFFAOYSA-N 394.427 3.578 0 40 GHAB CC(C)c1ccc(-n2c(=S)[nH]c(O)c([C@@H]3NCCc4ccccc43)c2=O)cc1 17197985 CAQLXFCGKVKQHU-LJQANCHMSA-N 393.512 3.959 0 40 GHAB O=C(OCC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)c1ccc(O)cc1 8447283 QXMOWRKMIGHIQW-HXUWFJFHSA-N 389.407 3.716 0 40 GHAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)NC(=O)NC1CCCCC1 9591210 QMNMFPRNCNIANX-NRFANRHFSA-N 397.544 3.854 0 40 GHAB CCN(CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)C[C@@H](O)c1ccc(C)cc1 72304971 PYIYUMSDBPBNDI-ISKFKSNPSA-N 398.547 3.872 0 40 GHAB O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)[C@H]1CC=CCC1 96585753 RRJVUXHLOPKZQF-AOHITCTBSA-N 390.892 3.849 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O 9699798 YYXOIGKWPYISMT-GFCCVEGCSA-N 378.350 3.706 0 40 GHAB O=C(Nc1cccnc1N1CCOCC1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 72023151 LWIUWNKUZFYYEU-GJZGRUSLSA-N 391.393 3.679 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)CCNc2ncccn2)c2ccccc12 95474716 PKNNXTOIKUKVCE-IBGZPJMESA-N 376.460 3.804 0 40 GHAB c1cc(-c2ccc3nc([C@H]4CCN(Cc5ccc6c(c5)OCO6)C4)nn3c2)ccn1 306144087 YVTZYCBDAHXZQV-IBGZPJMESA-N 399.454 3.510 0 40 GHAB COc1cccc2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)oc12 408701772 FNRQWLOSPGDTIS-HNNXBMFYSA-N 394.427 3.603 0 40 GHAB O=C(Nc1ccc(Br)cn1)c1ccc(Cn2cc(Cl)cn2)cc1 27969534 HSKHWAMWYSFWOL-UHFFFAOYSA-N 391.656 3.995 0 40 GHAB Cc1cnc(COCC(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)o1 552186716 RIDDFSLDCGAKGQ-GOSISDBHSA-N 380.448 3.644 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)cc1 32745869 CUXTWHJRBBHXKC-UHFFFAOYSA-N 396.468 3.780 0 40 GHAB CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccccc1)N2 65298505 VCODDYPNMSQXAW-LJQANCHMSA-N 393.487 3.865 0 40 GHAB biogenic CN(C)c1ncn(-c2cccc(NC(=O)[C@@H]3C[C@@]34CCCc3ccccc34)c2)n1 506119857 BAPQLJAMLAHQQS-NZQKXSOJSA-N 387.487 3.566 0 40 GHAB CC(C)n1nccc1-c1nc(C(=O)NCc2ccc(Cl)cc2)c2cnccn12 306137324 QSWYMSOVONATTI-UHFFFAOYSA-N 394.866 3.757 0 40 GHAB COc1c[nH]c(C(=O)Nc2nc(-c3c(C)n(C)c4ccccc34)cs2)cc1=O 524735635 OUHBIXMHJIZMJQ-UHFFFAOYSA-N 394.456 3.559 0 40 GHAB COc1ccc(/C=C/C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1OC 70640020 UFNJDGJHSIOKNV-WJXUGBSRSA-N 395.377 3.586 0 40 GHAB biogenic COc1ccc(-n2nc(-c3nc(-c4cccnc4)no3)c3ccccc3c2=O)cc1 38486935 CRLKMTAAXJBYNA-UHFFFAOYSA-N 397.394 3.506 0 40 GHAB O=C(CC1CCCC1)N1CCN(c2ccccc2)C[C@H](Cc2cnccn2)C1 72353566 FNHUYFTXYOSLAT-FQEVSTJZSA-N 378.520 3.564 0 40 GHAB Cc1ccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)cs3)c2N)cc1F 38486913 FYFXRMMCLYETIG-UHFFFAOYSA-N 395.419 3.816 0 40 GHAB Cc1cccc(N(CCCC(=O)Nc2c(F)cccc2F)S(C)(=O)=O)c1C 225045766 FDFVQSGZTXQDRU-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB CCCCN1CC(=O)N2[C@@H](c3ccccc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 16042697 OYZRSSFZJCMFLQ-OFNKIYASSA-N 387.483 3.653 0 40 GHAB biogenic CC(C)[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 225186944 ROTMGXVQFDJXCE-OAHLLOKOSA-N 394.924 3.696 0 40 GHAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(N2CCOCC2)cc1 223698534 XATKBCKLFMMKAX-UHFFFAOYSA-N 382.504 3.630 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 222800097 OMSJXYVWLOKCBZ-ROUUACIJSA-N 383.908 3.913 0 40 GHAB COc1ccc2c(c1)c(C(=O)Cn1nc(-c3ccccc3)ccc1=O)c(C)n2C 40285770 GZFOQZAYXBCAMC-UHFFFAOYSA-N 387.439 3.602 0 40 GHAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)cc1 223429469 XMTLGGGMZUCQHM-WOJBJXKFSA-N 378.501 3.601 0 40 GHAB COc1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc1C 222993688 LBWUQNMJQBMZKJ-UHFFFAOYSA-N 382.279 3.518 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220521740 WTAZLPIIRCQDJG-XLIONFOSSA-N 388.533 3.725 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1F 223142057 QGHRVWHATWJZOC-CVEARBPZSA-N 388.458 3.839 0 40 GHAB O=S(=O)(Cc1c(F)cccc1Cl)NCCOc1ccccc1Cl 224180896 SLZZKOORECVNAY-UHFFFAOYSA-N 378.252 3.631 0 40 GHAB CCC[C@@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1 224061290 SKAUCUURCURSOF-OAHLLOKOSA-N 390.505 3.723 0 40 GHAB COc1ccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](C)C(=O)NC(C)C)cc1 225678537 BRJPJQUGINJTFT-IBGZPJMESA-N 396.531 3.796 0 40 GHAB CCOc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 225710403 LKHMHDPMLCWJTA-UHFFFAOYSA-N 392.502 3.843 0 40 GHAB COc1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 223741442 AGJFVRRKNNXQCF-UHFFFAOYSA-N 393.505 3.657 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccnc2)c1C 222774354 OWTNSQSFMMJTMI-UXHICEINSA-N 377.517 3.877 0 40 GHAB CSc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1C(=O)N1CCCCCC1 225213804 RLWXSSDUXJPFNK-OAHLLOKOSA-N 398.594 3.748 0 40 GHAB COc1ccc(CN2CC[C@@H](CC(=O)O)[C@@H](Cc3nc4ccccc4[nH]3)C2)cc1 514290024 RKDAXTYJKJMNGS-ROUUACIJSA-N 393.487 3.727 0 40 GHAB biogenic,in-vitro CS[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 96308776 RFNREFSUPGGKAM-YJYMSZOUSA-N 383.469 3.826 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2cc(C)on2)[C@@H]1c1ccccc1Cl 257217022 CXDKAFIJVFALFP-APWZRJJASA-N 389.883 3.595 0 40 GHAB Cc1cc([C@H]2CCCCN2C(=O)C2CCOCC2)nc(-c2c(C)noc2C)n1 257257048 KNWPVIWYMIANLH-GOSISDBHSA-N 384.480 3.537 0 40 GHAB CCN(CC)C(=O)CN1CCC(c2cc(Nc3cccc(C)n3)cc(C)n2)CC1 257298151 RKKLVDHWSDVBKG-UHFFFAOYSA-N 395.551 3.885 0 40 GHAB CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1 260918025 KSMDJCZYDCPKAO-NZSAHSFTSA-N 384.549 3.790 0 40 GHAB CN[C@@H](C(=O)N1CCC(C2CCOCC2)CC1)c1cccc(Cl)c1Cl 662820235 PNOHVWRQMWXDQB-GOSISDBHSA-N 385.335 3.919 0 40 GHAB CO[C@H](CNC(=O)N[C@@H]1CCCc2nc(O)ccc21)c1ccccc1Cl 675711169 OYEZOOMUDLXRKO-IAGOWNOFSA-N 375.856 3.505 0 40 GHAB O=S(=O)(NCC[C@H](O)c1cc2ccccc2o1)c1ccc(C(F)(F)F)cc1 96097300 TXFZQCBRRJOCGC-HNNXBMFYSA-N 399.390 3.854 0 40 GHAB FC(F)(F)c1cccc(OCC2CCN(c3ncnc4cnccc34)CC2)n1 585533912 KPAKDSOTHQENTD-UHFFFAOYSA-N 389.381 3.734 0 40 GHAB O=C1C[C@H](C(=O)N(Cc2ccccc2)c2ccccc2)CN1CC(F)(F)F 58735899 FYHLWJVCZGTVHG-INIZCTEOSA-N 376.378 3.631 0 40 GHAB CN(Cc1nccn1C(F)F)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 98030041 SLVUNLZBRQGBNB-CQSZACIVSA-N 394.422 3.890 0 40 GHAB CC(C)CN1C(=O)C2(CCN(Cc3cn(C)cn3)CC2)C[C@@H]1Cc1ccccc1 1615157080 OGGXJZYFVASELP-QFIPXVFZSA-N 394.563 3.502 0 40 GHAB O=C(C1CCCCC1)N1CCC[C@H](Cn2nc(-c3cccs3)ccc2=O)C1 12145166 VTSXPSWSHPNROW-INIZCTEOSA-N 385.533 3.791 0 40 GHAB Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)cc3)CC1)O2 12293742 OKEGUWIUESQILP-NHCUHLMSSA-N 385.479 3.827 0 40 GHAB CCC(CC)c1nnc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)s1 12975407 YYKNRVMZMCSYLU-ZDUSSCGKSA-N 392.550 3.994 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(C)c1 13671475 ZPRLWMHVROYWLD-UHFFFAOYSA-N 383.853 3.635 0 40 GHAB COc1ccc2c(c1)C[C@@H](C(=O)NCCc1nc(-c3ccccc3)cs1)CO2 19562452 PXWYYCFHSDOQFU-QGZVFWFLSA-N 394.496 3.729 0 40 GHAB CN(C)Cc1cc([C@@H]2CCCN2C(=O)CCCc2c[nH]c3ccccc23)nn1C 19709091 SKHXFWYFONEPKA-QFIPXVFZSA-N 393.535 3.649 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(-n3nnnc3C)cc2)cc1 19716995 XDNZTZMARDDNBC-OAQYLSRUSA-N 391.475 3.737 0 40 GHAB Cc1nn(C)cc1[C@H](C)NC(=O)CC1CCN(C(=O)CC2CCCCC2)CC1 19748254 CHVLXEBDZCQSIO-INIZCTEOSA-N 388.556 3.505 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 169884584 BIAUHBJTQJZFMU-UHFFFAOYSA-N 398.271 3.663 0 40 GHAB CCOc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1ccc(F)cc1 807761 XAVZZPVOFMSZEX-CRAIPNDOSA-N 377.437 3.592 0 40 GHAB Cc1ccccc1[C@@H]1CN(CCOc2ccc(C(=O)O)cc2Cl)CCO1 652417338 LQFZVIPCKIIKDB-IBGZPJMESA-N 375.852 3.799 0 40 GHAB Cc1ccc([C@@H](C)C(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 12187454 PRIBYUCCGKUZOJ-MRXNPFEDSA-N 391.475 3.653 0 40 GHAB COc1ccccc1OCCN(C)C(=O)c1nc(-c2ccc(F)cc2)oc1C 12290643 KYXNOKGIEWNPSS-UHFFFAOYSA-N 384.407 3.949 0 40 GHAB CCc1ccc(-c2csc(NC(=O)c3cccnc3N3CCOCC3)n2)cc1 25561924 SSTRRKGREQCJHO-UHFFFAOYSA-N 394.500 3.856 0 40 GHAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CCc3ccccc3F)C2)cc1C 2037913041 MGGQOWHMBCBHBN-HSZRJFAPSA-N 385.479 3.808 0 40 GHAB Cc1ccc(N2C(=O)N(c3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1C 4393431 LSUZKQQZEAXSQJ-QZTJIDSGSA-N 390.892 3.569 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4373905 KVALFSCIYWLONX-ZDUSSCGKSA-N 397.328 3.651 0 40 GHAB CCOc1ccc(-c2cccc(NC(=O)c3c(OC)cccc3OC)c2)nn1 4939996 UNFZUMJNOJFMPU-UHFFFAOYSA-N 379.416 3.812 0 40 GHAB Cc1nnc2ccc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)nn12 5168906 VOFHRVBKCLYSGP-UHFFFAOYSA-N 398.220 3.708 0 40 GHAB O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1ccc(Cl)c(Cl)c1 5398793 BBEHNEBZQVXIKW-UHFFFAOYSA-N 375.211 3.994 0 40 GHAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C(C)=O)CC2)cc1 10213822 WAGXSOJYQREHHY-OAQYLSRUSA-N 391.471 3.577 0 40 GHAB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3ccnn3C)nc12 13655707 IYCLMMDSDKBHMF-UHFFFAOYSA-N 393.472 3.589 0 40 GHAB CN1CCN([C@H](CNC(=O)c2ccc3ccccc3c2)c2ccc(F)cc2)CC1 22794855 GTTNQJOLNCFWQY-HSZRJFAPSA-N 391.490 3.697 0 40 GHAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1nc2ccccc2s1 206840864 NCWVYGKYIWFLLC-CQSZACIVSA-N 392.440 3.585 0 40 GHAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@@H](Oc2ccncc2)C1 575613692 RZIAZMUJJODGST-CQSZACIVSA-N 387.288 3.621 0 40 GHAB O=C(CSc1ccc(F)cc1)N1CC(Oc2cccc(C(F)(F)F)n2)C1 575608713 XEXUOMKFVWNVLT-UHFFFAOYSA-N 386.370 3.621 0 40 GHAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3ccccc3Br)C2)n1 585147447 ZQOKYNHBGDPEQK-AWEZNQCLSA-N 390.281 3.540 0 40 GHAB Brc1c(CSc2nncn2-c2ccccc2)nc2ccccn12 1247862 GDLHSMWXCBBQHK-UHFFFAOYSA-N 386.278 3.970 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1C 40059894 JLITZRHWRBGESO-NSHDSACASA-N 380.391 3.901 0 40 GHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)N[C@H]1CCOc2ccccc21 40131112 JLIQTEBJOFTAMA-IBGZPJMESA-N 397.425 3.950 0 40 GHAB O=C(COCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(c1)Cc1ccccc1-2 30894430 CHPIQTZJZWXFQZ-UHFFFAOYSA-N 397.434 3.650 0 40 GHAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 101691258 JOQVHQKFSVTBFJ-BPUTZDHNSA-N 384.863 3.549 0 40 GHAB COc1ccccc1-c1noc(CNc2ccc(N3CCCC3=O)c(C)c2)n1 32770371 XREAQQZKEIZGFL-UHFFFAOYSA-N 378.432 3.793 0 40 GHAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccnn1Cc1cccc(Cl)c1 32855951 ALYTTZQTEWAXHD-HNNXBMFYSA-N 380.879 3.975 0 40 GHAB Cc1cc(C)cc(OCC(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)c1 897741 VIKXWUBSVKMZQQ-UHFFFAOYSA-N 383.429 3.568 0 40 GHAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cc12 32973704 OQOCUVSCYAECFK-UHFFFAOYSA-N 396.472 3.540 0 40 GHAB O=C(CCc1ccccc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc(F)cc1 1024402 RVJTVLXKTBDSHK-GOSISDBHSA-N 380.341 3.754 0 40 GHAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)[C@H]3CCCO3)c(=O)[nH]c12 1346749 JVINZKKWBJHTPB-GOSISDBHSA-N 382.485 3.606 0 40 GHAB CCc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccn2)cc1 1362534 BENUWXFTEPEMNX-UHFFFAOYSA-N 393.516 3.606 0 40 GHAB CCOc1cc(CO)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 2554776 VRFCYBUHNZZMNP-UHFFFAOYSA-N 394.265 3.666 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)Nc3c(Cl)cccc3Cl)nc2n1 3467379 YBNMTXFKOWIGFH-UHFFFAOYSA-N 382.276 3.779 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)n2ncc(-c3ccc(Cl)cc3)nc2=O)cc1C 33324675 VGDMMLYHVUVJAK-CQSZACIVSA-N 382.851 3.775 0 40 GHAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)n1 4967822 ZMWKNVBBFVEDDY-CQSZACIVSA-N 394.397 3.847 0 40 GHAB O=C(Cc1c(F)cccc1Cl)NCC(=O)Nc1ccccc1Br 6330365 SVSGKOZEMHZDBI-UHFFFAOYSA-N 399.647 3.539 0 40 GHAB Cc1c(Cl)cccc1NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 6588753 CYXVQNLLDAAOTA-UHFFFAOYSA-N 380.835 3.709 0 40 GHAB Cc1ccc(NC(=O)C[C@H](C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 6966156 XQCAEJRYRHEDLS-SFHVURJKSA-N 397.494 3.838 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1OCC 8040786 PCOUFFCWVGDYBJ-UHFFFAOYSA-N 385.869 3.947 0 40 GHAB CC(C)c1c(C(=O)NC[C@@H]2COc3ccccc3O2)cnn1-c1ccc(F)cc1 58018126 NBBWDMLMRNEJGW-QGZVFWFLSA-N 395.434 3.705 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(COCC(F)(F)F)cc1 8709098 KOVRLNXKYLEVNZ-UHFFFAOYSA-N 394.393 3.751 0 40 GHAB Cc1ccc2c(CC(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)coc2c1 9904494 DIKQCRKNOXPSQB-UHFFFAOYSA-N 377.444 3.622 0 40 GHAB COC(=O)c1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(F)cc1F 24428164 ZUDGRDFXKZAIJC-UHFFFAOYSA-N 395.305 3.571 0 40 GHAB COc1ccc(CN(C(=O)[C@@H](C)NC(=O)OCc2ccccc2)C2CC2)cc1 24990939 FMTLVYHFTBEENS-MRXNPFEDSA-N 382.460 3.501 0 40 GHAB Cc1cccc(Oc2ncccc2NC(=O)CN(C)C(=O)c2ccco2)c1C 55828225 RCMQHZNSNVDBMD-UHFFFAOYSA-N 379.416 3.794 0 40 GHAB CC(C)[C@@H](NCC(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc(C2CCCCC2)cc1 27452665 CDAUFLOZOPWVGS-FYYLOGMGSA-N 399.579 3.745 0 40 GHAB COc1ccc(Cc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1OC 27694141 KPRCZJYHUYKVNG-UHFFFAOYSA-N 393.487 3.657 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1nc2ccccc2s1 10287341 YQOULGFWUKRQOY-UHFFFAOYSA-N 378.457 3.763 0 40 GHAB CC[C@H](C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O 2115179 NAJIXICRHYUWHO-UYGSHGSRSA-N 387.483 3.651 0 40 GHAB biogenic CCOC(=O)c1ccc(NC(=O)NCCc2coc(-c3ccccc3)n2)cc1 58305077 UXPRNBNTJJFQGH-UHFFFAOYSA-N 379.416 3.883 0 40 GHAB O=C(CCc1ccc(F)c(F)c1)NC1CCN(Cc2ccc(F)cc2)CC1 58393561 LENNJZBELXCOSZ-UHFFFAOYSA-N 376.422 3.817 0 40 GHAB CC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 12738212 KUEFIDSNXNPQEJ-KRWDZBQOSA-N 392.565 3.613 0 40 GHAB CCOC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 113880589 VRSOMGUEXXOVJX-UHFFFAOYSA-N 381.881 3.715 0 40 GHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(CN2CCCCC2)cc1 10772898 NRZXTTZWYRNNHB-UHFFFAOYSA-N 391.515 3.951 0 40 GHAB Cn1nc(C(=O)Nc2ccccc2N2CCc3ccccc32)c2ccccc2c1=O 36390831 OOLVEFGAFFTJJV-UHFFFAOYSA-N 396.450 3.880 0 40 GHAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2cccc(N)c2)c2ccccc21 2309764 WZRRZUXIJJMGTG-DEOSSOPVSA-N 386.451 3.585 0 40 GHAB COc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1-n1nnnc1C 60365466 CFKIKRVRBOCKQM-UHFFFAOYSA-N 378.219 3.538 0 40 GHAB O=C(C1CCCCC1)N1CCC(NC(=O)N(Cc2cccc(O)c2)C2CC2)CC1 45738801 SXSDGMOYJXBDOP-UHFFFAOYSA-N 399.535 3.638 0 40 GHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2cc(C)ccc2C)C1=O 12802853 DVIBICSPCSAFAE-NRFANRHFSA-N 384.863 3.997 0 40 GHAB CC(C)CNC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 3530408 ZUFNWFGEEGBRBF-UHFFFAOYSA-N 381.428 3.941 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1ccc(N2CCCC2=O)cc1 12972131 BLVUCYDIIADFLQ-UHFFFAOYSA-N 389.249 3.593 0 40 GHAB Cc1cc(Cl)ccc1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 12912275 BQBFBTGYWIIFPN-UHFFFAOYSA-N 376.247 3.933 0 40 GHAB Cc1csc(=O)n1CCC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 8746561 UVQQYWCIFLAUEM-UHFFFAOYSA-N 378.457 3.562 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCc1ccc(C)c(Cl)c1 13004599 KAMDIERNBHWEDM-UHFFFAOYSA-N 390.886 3.885 0 40 GHAB Cc1ccc(C(=O)N2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 306142473 XAHCMMHBLYMMDW-HXUWFJFHSA-N 383.455 3.729 0 40 GHAB O=C(CSc1ncnc2sccc12)NC1CCN(Cc2ccccc2)CC1 8849395 IOGBDNMQJHJPNK-UHFFFAOYSA-N 398.557 3.564 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 306127439 FYQBNQAIWPQSQG-IBGZPJMESA-N 389.503 3.658 0 40 GHAB COc1ccc(NC(=O)CNC(=O)Cc2cccc3ccccc23)cc1Cl 5063467 PWRBBQCZOAPRQB-UHFFFAOYSA-N 382.847 3.799 0 40 GHAB O=C(NCCc1ccccc1)c1ccccc1NS(=O)(=O)c1cccs1 6147186 YYYRWLZZVUNIAO-UHFFFAOYSA-N 386.498 3.521 0 40 GHAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(F)c3)[C@H]2C(=O)N1c1ccccc1 13803812 BYXOTOJBGXHDNU-NJDAHSKKSA-N 388.398 3.877 0 40 GHAB COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccccc3C)oc12 13893585 FGXUCLODTIDFDG-KZIRDTCISA-N 392.455 3.891 0 40 GHAB CCOc1cccc2cc(-c3cc(=O)oc4cc(OC(C)=O)ccc34)c(=O)oc12 4340029 UZVRBNKUCMSLME-UHFFFAOYSA-N 392.363 3.890 0 40 GHAB biogenic Cc1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc3nccnc23)cc1 9074139 XVJNZOWLONAGMV-UHFFFAOYSA-N 397.486 3.798 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1C 4550016 QQHHFMPWBHNTKL-UHFFFAOYSA-N 383.400 3.580 0 40 GHAB COc1ccccc1-n1cc(C(=O)Nc2ccccc2O)c2ccccc2c1=O 71287792 BUXRMWLKZBJLSJ-UHFFFAOYSA-N 386.407 3.957 0 40 GHAB COc1ccc(OCC(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc1 6505859 COWSXAJLTFQCQS-GOSISDBHSA-N 385.489 3.561 0 40 GHAB O=C(COc1ccccc1F)Nc1nnc(SCc2ccccc2)s1 4672924 CIGCGCBYHPARAV-UHFFFAOYSA-N 375.450 3.987 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2c(C)cc(C)cc2C)cc1 9217101 RAZLGGYFSDFIFI-LJQANCHMSA-N 386.517 3.712 0 40 GHAB CCOc1ccc2nc(SCC(=O)Nc3cccc(NC(C)=O)c3)[nH]c2c1 5874483 KRWKNTHQAJJCFT-UHFFFAOYSA-N 384.461 3.651 0 40 GHAB C[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)C(=O)NC1CCCC1 6977162 RWSFGSGSPOECEP-OAHLLOKOSA-N 393.516 3.869 0 40 GHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2c3c(nc4ccccc24)CCCCC3)no1 7297370 XLHCKSQACGLXKM-AWEZNQCLSA-N 393.443 3.984 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)NCc1cccc(NC(=O)C2CC2)c1 9217720 NPCJESOHBFYEBE-UHFFFAOYSA-N 376.460 3.558 0 40 GHAB CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 7669451 TVQHRESPODGQRE-NRFANRHFSA-N 394.496 3.656 0 40 GHAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc2c1C 7735713 VEZFNXUAZBNJSY-CQSZACIVSA-N 394.427 3.740 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(Br)cc2)c1 7795646 YUQFBBSMGWXYIE-UHFFFAOYSA-N 388.670 3.758 0 40 GHAB C[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc(Cl)c(Cl)c1 16467905 YDJMYQGVGXVEHF-LBPRGKRZSA-N 390.270 3.971 0 40 GHAB CCOC(=O)[C@@H](NC(=O)c1cccc(F)c1)c1c(C)nn(-c2ccccc2)c1C 8062374 SSRJWECMYBUNNT-FQEVSTJZSA-N 395.434 3.662 0 40 GHAB Cc1ccn2c(=O)cc(CSc3nnc(-c4cccs4)n3C3CC3)nc2c1 8075226 VIBZYPVAEQFLJK-UHFFFAOYSA-N 395.513 3.950 0 40 GHAB C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)N1CCNC1=O 8185769 SICRKEHBSGMPPB-AWEZNQCLSA-N 392.484 3.776 0 40 GHAB O=C(/C=C/c1ccc(-c2ccccc2F)o1)Nc1ccc(-n2cnnn2)cc1 20681721 SZKZAWXXIOPZRM-ZRDIBKRKSA-N 375.363 3.713 0 40 GHAB CCCn1c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)nc2ccccc21 18118234 FCUQKIORVMQBRK-UHFFFAOYSA-N 396.516 3.999 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccc3c(c2)CCC3)c1 9594163 MDMVLUBJSBWNNE-OAQYLSRUSA-N 380.488 3.968 0 40 GHAB O=S1(=O)N[C@@H](Cc2ccc(-c3cccc(Cl)c3)o2)[C@H](O)c2ccccc21 9530868 OXOQJMFWMFMSDI-QFBILLFUSA-N 389.860 3.537 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2cc(C)n(-c3cccnc3)c2C)c(OC)c1 84081412 KXVHYKRDZQHWHI-HNNXBMFYSA-N 379.460 3.997 0 40 GHAB CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 97102441 DMOIVGYSCDQSSQ-MRXNPFEDSA-N 385.468 3.590 0 40 GHAB Cn1c(C(=O)N2CC(OCCCOc3ccccc3)C2)cc(Cl)c1Cl 72311805 SGKJONSFOCGZHV-UHFFFAOYSA-N 383.275 3.642 0 40 GHAB CNC(=O)Cc1nc(CSc2nc(-c3ccco3)nc3ccccc23)cs1 72307091 JWZACDPCXJAFFJ-UHFFFAOYSA-N 396.497 3.927 0 40 GHAB Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)N1CCCc2ccc(F)c(F)c21 95982924 RDLGLTJKUOEXMZ-UHFFFAOYSA-N 383.464 3.675 0 40 GHAB COc1ccc([C@H]2CCN(c3ccccc3S(=O)(=O)C(F)(F)F)C2)cc1 60339016 DAXMAUGUZYTSEY-AWEZNQCLSA-N 385.407 3.983 0 40 GHAB O=C(NCCc1ccccc1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 45583840 WHEUDQCOSIXRFI-QFIPXVFZSA-N 386.451 3.601 0 40 GHAB CNc1ncc(-c2nc(C(=O)NCc3ccc(C)cc3)c3ccccn23)s1 306143892 YPWFEAAVZFETTR-UHFFFAOYSA-N 377.473 3.738 0 40 GHAB CCOc1cccc(CN2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 506385141 YVYLRYFCOSYFEM-UHFFFAOYSA-N 390.430 3.645 0 40 GHAB CCn1cc(CN2CC[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 72371660 BPAWNPZKOPEHRN-QGZVFWFLSA-N 399.926 3.891 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N3)cc1 31812773 VGKRRGAZVSQZOU-GOSISDBHSA-N 389.459 3.899 0 40 GHAB O=C(c1cccnc1)N1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 72362081 WLLJIBQMBCRPNU-INIZCTEOSA-N 378.407 3.823 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(Cl)cc1 225411809 PDQKFOJYMCFBRL-CYBMUJFWSA-N 394.899 3.735 0 40 GHAB Cc1sc(C(=O)O)cc1CN1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 569131448 ZILHYPDYHXWCBR-UHFFFAOYSA-N 382.489 3.919 0 40 GHAB Cc1ccc(CN(C(=O)COc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 225533434 MKZXCLXNEULPBH-IBGZPJMESA-N 382.504 3.624 0 40 GHAB COC(=O)c1ccc(NC(C)C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223413759 RXWJVADEUZCZCL-UHFFFAOYSA-N 382.869 3.748 0 40 GHAB Cc1cc2c(cc1S(=O)(=O)Nc1ccc(Cl)cc1Cl)oc(=O)n2C 223335332 HMEHEMZDMGGCEX-UHFFFAOYSA-N 387.244 3.548 0 40 GHAB Cc1cccc(NS(=O)(=O)c2ccc(I)cc2)c1C 48430050 CBUDOBGNTILHHN-UHFFFAOYSA-N 387.242 3.709 0 40 GHAB Cc1ccccc1CN(C(=O)COc1ccccc1C)[C@@H](C)C(=O)NC(C)C 225476800 BQVWRHZZFNJZAB-IBGZPJMESA-N 382.504 3.624 0 40 GHAB CCc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1 225738968 MFMHFIXPVBGGLH-UHFFFAOYSA-N 385.261 3.965 0 40 GHAB C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc(OC(F)F)cn1 575331711 KBDPNYRQIBDTRE-LLVKDONJSA-N 392.410 3.541 0 40 GHAB Cc1nc(NC(=S)NCC(C)C)c(Br)cc1Br 223876741 LJQJHMKJGIRMFE-UHFFFAOYSA-N 381.137 3.857 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 225204571 CDXICIIBWDZYEF-QGZVFWFLSA-N 382.504 3.526 0 40 GHAB FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NC[C@H]2CCCO2)n1 225910332 JSEJGRDABQRCPB-GFCCVEGCSA-N 398.410 3.753 0 40 GHAB Cc1ccccc1OCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 225133123 SGXAHLBCXUICCH-SILNSSARSA-N 390.439 3.554 0 40 GHAB COc1ccc(N2CCC(C(=O)Nc3ccc(Cl)cc3Cl)CC2)nn1 95475251 PPJYDDJVOYXPAE-UHFFFAOYSA-N 381.263 3.647 0 40 GHAB COc1ccc(-c2ccnc3c(-c4ccc(OC)c(OC)c4)cnn23)c(O)c1 95472241 LMZYBAJSJWGVCL-UHFFFAOYSA-N 377.400 3.795 0 40 GHAB CCn1cc(CN2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)c(C)n1 257324203 WNRBTDNJQLIRSN-QHCPKHFHSA-N 376.504 3.771 0 40 GHAB COc1cccc(Nc2cc(C)nc([C@H]3CCN(Cc4cnn(C)c4)C3)c2)c1 257333730 YCVCOCHUVXVDDL-SFHVURJKSA-N 377.492 3.865 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(Cc2ccccn2)C2CC2)[C@@H]1c1ccc(C)cc1 257249445 JIJZMOUYTKHZAF-GGAORHGYSA-N 391.515 3.881 0 40 GHAB COc1cc2c(cc1OC)CCN(Cc1c(Cl)cccc1C(=O)O)CC2 652402318 ZUAMSANETOECBC-UHFFFAOYSA-N 375.852 3.656 0 40 GHAB O=C(c1ccc(I)c(Br)c1)C(F)(F)F 604221799 KMPNNKZBOKPXAL-UHFFFAOYSA-N 378.913 3.799 0 40 GHAB CC(C)C[C@H](O)C(=O)N1CCC[C@@]2(CCCN2Cc2cccc(F)c2)CC1 585100802 WYQOAOGINDSTOL-RBBKRZOGSA-N 376.516 3.580 0 40 GHAB CC(C)c1noc(C2(NC(=O)[C@H]3CCCCc4ccccc43)CCOCC2)n1 585141936 IYFBSJDFENIDJA-SFHVURJKSA-N 383.492 3.825 0 40 GHAB O=C(/C=C/c1cccs1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 936062 LQVHRVUZTSQGRJ-FMIVXFBMSA-N 390.530 3.965 0 40 GHAB Cc1csc2nc(COc3ccc(C(=O)c4ccccc4)cc3)cc(=O)n12 11150725 IHJGAAMJNGVFLX-UHFFFAOYSA-N 376.437 3.874 0 40 GHAB C[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)Nc1ccc2ccccc2c1 11592121 HVTUDNGJETWXSI-LBPRGKRZSA-N 395.513 3.993 0 40 GHAB O=C1[C@H]2CCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N[C@@H]2c1ccc2c(c1)OCO2 12375083 SUOGCSHCUPAGNZ-ZFJWPNLUSA-N 379.412 3.515 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccccc3Cl)no2)cc1 13494841 HGKRGYNAYXLMGX-LBPRGKRZSA-N 377.853 3.738 0 40 GHAB CCn1nnc2cc(C(=O)N[C@H](c3ccc4c(c3)OCCCO4)C(C)C)ccc21 14636372 NGMVJVHJBAEQJV-NRFANRHFSA-N 394.475 3.740 0 40 GHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccccc2F)CC1 15641974 JFNIAXLBBKQLFN-UHFFFAOYSA-N 381.373 3.849 0 40 GHAB Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C(C)(C)C)n1 15672542 DUXYNPFEQGTSFF-BBWFWOEESA-N 398.576 3.854 0 40 GHAB biogenic,in-vitro COc1ccc(C[C@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccnc(C)n2)cc1 19287535 RCPXHLIOHZPTAJ-XPWALMASSA-N 381.520 3.532 0 40 GHAB O=C(COc1cccc(F)c1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 19294230 WIXWXKLJYILAFW-ZDUSSCGKSA-N 387.436 3.722 0 40 GHAB NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CCCC2)C1 19333477 DOPSTDLEFQGCLQ-QFIPXVFZSA-N 382.529 3.852 0 40 GHAB CCC[C@@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCCC2)CC1 19501959 KYIDZJIRUXDCMT-IBGZPJMESA-N 388.585 3.574 0 40 GHAB Cc1cccc(C(=O)Nc2cc(Br)c3nc(NN)sc3c2)c1 226309536 QIZSLQHPZFBOJU-UHFFFAOYSA-N 377.267 3.905 0 40 GHAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)C1(c2ccc(Cl)cc2)CCC1 12141978 IKQZYDRDMXSCKB-CQSZACIVSA-N 384.863 3.875 0 40 GHAB Nn1c(SCCOc2ccccc2)nnc1-c1ccccc1Br 5449939 WRHVJXBUASOYRT-UHFFFAOYSA-N 391.294 3.593 0 40 GHAB CCc1ncnc(N(C)CC2CCN(c3ncnc4cc(F)ccc34)CC2)c1F 1888914143 UCXVRKBLQVZEGR-UHFFFAOYSA-N 398.461 3.613 0 40 GHAB O=C(c1cc(C2CC2)on1)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1776001517 XOEPQBTYCZLFKG-LBPRGKRZSA-N 395.381 3.897 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@@H]2CN(Cc3cc(C4CC4)on3)C[C@@H]2C1 2086968328 LNTOWILNOGKHMC-OKILXGFUSA-N 378.398 3.534 0 40 GHAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)CC(C)C)cc21 9174260 CULGOQIPPXBPLJ-UHFFFAOYSA-N 396.553 3.882 0 40 GHAB CCn1cc(C(=O)Nc2ccc(F)cc2F)c2nn(-c3ccccc3)c(=O)c-2c1 9661456 VLAHKMYXZPGMHU-UHFFFAOYSA-N 394.381 3.689 0 40 GHAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)cc1F 10333666 WSADSZRQHDFFLP-NRFANRHFSA-N 393.462 3.645 0 40 GHAB O=S(=O)(NCC1CCN(Cc2ccco2)CC1)c1cccc2ccccc12 23127686 AMFZNWHKKHWWAR-UHFFFAOYSA-N 384.501 3.623 0 40 GHAB N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(CO)cc1)C(=O)O 4984655 NYCFZGXVZKOYSP-NRFANRHFSA-N 393.508 3.616 0 40 GHAB O=C(O)C1(O)c2ccc(Br)cc2-c2cc(Br)ccc21 216757443 CQJLHEBCFFOGRN-UHFFFAOYSA-N 384.023 3.513 0 40 GHAB CCn1c(S)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2c1=O 10490356 IHIFNEJFYAQXMA-UHFFFAOYSA-N 377.828 3.750 0 40 GHAB O=C(NCc1cccnc1OC1CCCC1)c1cncn1-c1ccc(F)cc1 40089448 ZILYNFXLGIFGCA-UHFFFAOYSA-N 380.423 3.658 0 40 GHAB CC(C)c1nc2sc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC2 20229090 UGYYTGPJJGTECA-UHFFFAOYSA-N 397.548 3.596 0 40 GHAB COCCOc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cn1 31238131 HTIHVGXULZWGSJ-UHFFFAOYSA-N 386.379 3.670 0 40 GHAB CCOc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)cc1 51317786 FOKXWLFTIBGARC-UHFFFAOYSA-N 384.867 3.866 0 40 GHAB Cc1noc(-c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCCO4)cc2)n1 32283268 DBNMCNWQGCZYGS-ZDUSSCGKSA-N 379.416 3.697 0 40 GHAB O=C(NCc1nnc2ccccn12)c1ccc(-c2cccc(C(F)(F)F)c2)o1 32524152 BDNAYIKQTYTBOX-UHFFFAOYSA-N 386.333 3.938 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 32738248 ZRWJUBRSCMNTEK-ZDUSSCGKSA-N 381.881 3.766 0 40 GHAB C[C@H]1C[C@H](Sc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)C(=O)O1 32736612 ASUIJTCJGPZQPL-XVKPBYJWSA-N 391.396 3.976 0 40 GHAB O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc[nH]1 32912087 DRCZUVXTAQLTSR-OAHLLOKOSA-N 387.896 3.579 0 40 GHAB CC[C@H]1CCCCN1C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 32909046 BDMXJRYSKULKKL-SFHVURJKSA-N 376.456 3.888 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)CSc2nnc(C3CC3)n2CC)c1 1364678 VKXVRDPWLVHAEQ-UHFFFAOYSA-N 390.509 3.704 0 40 GHAB CSc1ccc([C@@H](C)NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 52750222 FLKFBUVPSMSPNH-OAHLLOKOSA-N 379.485 3.510 0 40 GHAB O=C(O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 2523969 ZAQSTLVVSHXJNH-UHFFFAOYSA-N 390.262 3.874 0 40 GHAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)CN1CC[C@H](c2ccccc2)C1 69597258 XLGMAKFXAOFTML-ICSRJNTNSA-N 380.536 3.621 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)CN2C(=O)c3cccc4cccc2c34)c1C 21997096 RDRHDBJTAGLLMK-UHFFFAOYSA-N 376.412 3.805 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 6324924 PREUAWKRJGAEAM-SFHVURJKSA-N 388.533 3.804 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3nc(-c4ccccn4)cs3)ccc12 7804849 GQZPJZYGZSBXIG-UHFFFAOYSA-N 393.424 3.637 0 40 GHAB COC(=O)c1ccc2nc(NC(=S)NC(=O)c3cc(C)cc(C)c3)sc2c1 8904298 GMDXOPMSSDFRRN-UHFFFAOYSA-N 399.497 3.827 0 40 GHAB COc1ccc(CN2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1F 22930063 ZFKUJCUXHQZAES-UHFFFAOYSA-N 381.451 3.807 0 40 GHAB O=C(NC[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1)Nc1ccccc1Cl 9066987 ZTVFPHZIKCPVTJ-CQSZACIVSA-N 375.831 3.649 0 40 GHAB CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@@H](c1ccc(OC)cc1)C2 9938756 RJUVQDUNGCKHDK-INIZCTEOSA-N 391.475 3.632 0 40 GHAB CCOc1cc(C(=O)Nc2ccc(-n3cccn3)nc2)cc(OCC)c1OCC 12523550 FWHIQUGYXVEGLR-UHFFFAOYSA-N 396.447 3.716 0 40 GHAB Cc1nc(NC(=O)c2n[nH]c3ccccc23)sc1Cc1ccc2c(c1)OCO2 12577342 MVQAQBRLHXZMPH-UHFFFAOYSA-N 392.440 3.900 0 40 GHAB COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 59232961 DKNNGNCHGIDHPH-VGOFMYFVSA-N 393.226 3.761 0 40 GHAB Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)CNCc2ccccc2)[C@@H]3CCC1 1300904 WDIFWXZIXFTCSR-HYBUGGRVSA-N 389.543 3.793 0 40 GHAB CC(C)C(=O)Nc1ccc(-c2csc(CC(=O)NCc3ccco3)n2)cc1 24926216 ISUFJNYUHPXHTA-UHFFFAOYSA-N 383.473 3.857 0 40 GHAB O=C1CCCc2[nH]c(=O)c(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)cc21 25623937 FXTVHDMUOGFBRZ-OAQYLSRUSA-N 386.451 3.608 0 40 GHAB CO[C@H]1CC[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)CC1 100749571 KUVZZLHENCPOBW-QTQOVQFESA-N 388.527 3.858 0 40 GHAB C[C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)c1cccc(Cl)c1 26266926 OKJKFTBDXFSMCW-CYBMUJFWSA-N 387.892 3.831 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)cc1 35558670 BSDYPYXCSZSVCE-GOSISDBHSA-N 375.472 3.814 0 40 GHAB Cn1nc(-c2ccccc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccco1 22796233 JYDIBHLKXXRSCX-ZVDOUQERSA-N 376.504 3.648 0 40 GHAB biogenic,in-vitro C[C@H](Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 12640239 QXAKSBLUNMUOCS-INIZCTEOSA-N 389.455 3.804 0 40 GHAB O=C(Cc1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1)N1CCOCC1 48160537 VMHCZFJUPAQXIM-IBGZPJMESA-N 399.516 3.518 0 40 GHAB CSCC[C@H](NC(=O)c1cc2ccccc2oc1=O)c1nc2ccccc2[nH]1 3362856 NVPMRPWGRPLTKJ-KRWDZBQOSA-N 393.468 3.894 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c(Cl)c1 3328390 SZKQQBLRDOQTCE-SFHVURJKSA-N 392.908 3.830 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)[C@H](c1ccccc1)N1CCCC1 58309072 VHTWCYYQGPTSKS-QHCPKHFHSA-N 377.532 3.736 0 40 GHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc2c(c1)OCCCO2 58426726 PSMNPUSJIVYPFY-UHFFFAOYSA-N 377.400 3.991 0 40 GHAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccnn3Cc3cccs3)oc2c1 28404840 LQFOILUDSRIDGF-UHFFFAOYSA-N 379.441 3.968 0 40 GHAB CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(C)cc1)C(F)(F)F 2306186 CQPNUGBPJAXWKF-GOSISDBHSA-N 380.366 3.659 0 40 GHAB CCCN1CCN(CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)CC1 22861960 WEHJWORIYSUYAQ-UHFFFAOYSA-N 378.520 3.781 0 40 GHAB CCCCOc1cccc(CNC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c1 59118231 TYQZKBVFBJMFCW-UHFFFAOYSA-N 382.439 3.824 0 40 GHAB O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1SC[C@@H]1CCCO1 48331556 DBVBUJOLESUGNQ-HOTGVXAUSA-N 385.485 3.528 0 40 GHAB CC(C)c1ccc(O)c(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)c1 2412668 RSLGJLXDMUERHW-UHFFFAOYSA-N 389.455 3.524 0 40 GHAB O=C(NCC1(c2ccc(F)cc2)CCCC1)Nc1ccc(N2CCOCC2)nc1 48373949 KNOKLZFKDWPJDM-UHFFFAOYSA-N 398.482 3.691 0 40 GHAB COc1ccc(F)cc1CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12866747 QTOIGERTNKAHPG-UHFFFAOYSA-N 385.435 3.700 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1C(=O)c1ccc(F)cc1 29462214 UUPDBRZFUCWLSF-UHFFFAOYSA-N 377.371 3.715 0 40 GHAB C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nncs1)c1ccccc1 3416154 WZYHPYDWFHPBFE-CYBMUJFWSA-N 398.513 3.760 0 40 GHAB COC(=O)c1ccc(OCc2nc(-c3ccsc3)no2)c(Br)c1 12916155 IOFURKYMJPMVON-UHFFFAOYSA-N 395.234 3.926 0 40 GHAB CCCOc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1 12972460 GDBPGIYDZILVSG-GASCZTMLSA-N 389.521 3.793 0 40 GHAB O=C(NC1(c2ccc(F)cc2)CCCC1)[C@H]1CCCN(C(=O)N2CCCC2)C1 64850654 QITFFHCNDMOZSD-KRWDZBQOSA-N 387.499 3.639 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1 6114275 SOGUZJPALNPGHR-UHFFFAOYSA-N 390.439 3.638 0 40 GHAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O 4306835 RWFUIEZBYODTHU-DEOSSOPVSA-N 397.434 3.971 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@@H]1CCCN1c1ncccn1 24745728 JRCCMABJXGIIRS-FQEVSTJZSA-N 380.536 3.719 0 40 GHAB CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCc3ccncc3)ccc12 5302245 JEUSMQIIKPELHL-HNNXBMFYSA-N 380.444 3.614 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C)n2)cc1 28194359 VIWZJLQMDXTUMN-UHFFFAOYSA-N 395.484 3.858 0 40 GHAB CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OC)c(OC)c2)cc1 5354200 BKENINIHSJPVIL-UHFFFAOYSA-N 383.404 3.795 0 40 GHAB CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(Cl)cc1Cl 14181919 GFJNYYWYCUUGRF-PDFOZTTASA-N 389.282 3.706 0 40 GHAB O=c1c2c3c(sc2ncn1C[C@H](O)COc1cccc2ccccc12)CCC3 14185741 OUVQOUQTFSTVIB-HNNXBMFYSA-N 392.480 3.540 0 40 GHAB O=C(Nc1cc(F)ccc1F)c1ccc(CS(=O)(=O)c2ccccc2)o1 8924704 QYUNYROXHAYRKF-UHFFFAOYSA-N 377.368 3.784 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)COc1ccc(Cl)cc1Cl)OCO2 4659252 UTVUCBXPAADVQT-UHFFFAOYSA-N 382.199 3.942 0 40 GHAB Cc1ccccc1OCc1nnc(S[C@H]2CCOC2=O)n1-c1ccccc1 5701147 YBTWGAUSHFBUTO-KRWDZBQOSA-N 381.457 3.562 0 40 GHAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(F)c(F)c1 6886775 SADDEUZJFOHHPL-UHFFFAOYSA-N 376.384 3.689 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccccc1)S2 6812287 AVATXUXWTYNTNW-ROUUACIJSA-N 397.479 3.768 0 40 GHAB COc1ccccc1CN(Cc1cccs1)C(=O)C1CCN(C(C)=O)CC1 6850022 RXQDEMAMRSJDEA-UHFFFAOYSA-N 386.517 3.544 0 40 GHAB Cc1ccc2c(CC(=O)OCC(=O)Nc3ccc(F)c(F)c3F)coc2c1 6932666 FMHFBOAOLHVLJA-UHFFFAOYSA-N 377.318 3.883 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 4985811 GNGNZLHAIAEFOH-UHFFFAOYSA-N 388.489 3.511 0 40 GHAB Cc1ccccc1CNC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7684519 FGYXRRHZXMFZSE-HXUWFJFHSA-N 380.488 3.610 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ncnc2ccc(Br)cc12 7779901 OSQQFQFTYFSXMG-LBPRGKRZSA-N 398.260 3.749 0 40 GHAB C[C@@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1cccs1 8132926 HDBKCCWJUAMPQC-CYBMUJFWSA-N 395.513 3.847 0 40 GHAB Cc1cc2occ(CC(=O)NCCC(=O)NCc3ccccn3)c2cc1C(C)C 96012236 GJYUOOUUQLINMN-UHFFFAOYSA-N 393.487 3.625 0 40 GHAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1CCCCC1 17079331 SHDXUTAJLRRLSI-UHFFFAOYSA-N 388.489 3.635 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCCc2cccs2)cc1 9446253 FNODVQBFBMMUHV-UHFFFAOYSA-N 389.480 3.728 0 40 GHAB COc1ccc2[nH]cc(CCNC(=O)CCc3nc(-c4ccccc4)no3)c2c1 9419770 OVHUEVUTENYYFE-UHFFFAOYSA-N 390.443 3.518 0 40 GHAB Cn1ccc2c(NC(=O)N3CCCN(C(=O)Oc4ccccc4)CC3)cccc21 95959328 GIPKDVQFBSLITO-UHFFFAOYSA-N 392.459 3.917 0 40 GHAB COc1ccc(Cl)cc1CC(=O)N1CCC(Cn2nc(C)cc2C)CC1 89594134 JVSPLDYARPKRPM-UHFFFAOYSA-N 375.900 3.643 0 40 GHAB Cc1ccc(NC(=O)COc2ccc(CO)cc2Br)cc1Cl 409255681 MSMFZJTVAZWLPC-UHFFFAOYSA-N 384.657 3.921 0 40 GHAB COC(=O)[C@@H](OC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1ccccc1 23224067 SPMZJVQOSYDSBU-IBGZPJMESA-N 393.443 3.961 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C[C@H](O)COc1ccc(C(C)(C)C)cc1 68845513 LKKXZLZCBRMYMC-IBGZPJMESA-N 385.504 3.627 0 40 GHAB NC(=O)C[C@@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1 512292879 CDBYKAXGLQAXAW-OAHLLOKOSA-N 375.350 3.533 0 40 GHAB O=C(c1cscn1)N1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 72362631 CVUKMZNLPGJYSP-CYBMUJFWSA-N 384.436 3.884 0 40 GHAB CCOC(=O)C1=C(C)N=C(SC(C)C)N[C@@H]1c1ccc(OC)cc1OC 33746677 UHHIMUYNOHBSLS-QGZVFWFLSA-N 378.494 3.683 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)cc1Cl 219500581 KDOXAXADEAMQCQ-GFCCVEGCSA-N 377.824 3.931 0 40 GHAB Cc1cc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)[nH]n1 72328556 YIKBYFBTRJUZTR-UHFFFAOYSA-N 392.488 3.775 0 40 GHAB O=C(CC1CCCC1)N1CCN(c2ccccc2)C[C@@H](Cc2cnccn2)C1 72353565 FNHUYFTXYOSLAT-HXUWFJFHSA-N 378.520 3.564 0 40 GHAB O=C(Nc1nccs1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 77099924 PFIQDIIMEWZURW-UHFFFAOYSA-N 379.489 3.645 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 219199284 FMFBJFQFCMBDAZ-HNNXBMFYSA-N 379.460 3.594 0 40 GHAB O=C(NCc1cccnc1-n1ccnc1)C1c2ccccc2Oc2ccccc21 32778107 DEFYUEVKNSCGLL-UHFFFAOYSA-N 382.423 3.821 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(CC)cc1 224695146 RIZICACGXRQDNY-IBGZPJMESA-N 396.531 3.880 0 40 GHAB CCOc1ccccc1NC(=S)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 225722846 HDSIMJDNDIJNKV-MRXNPFEDSA-N 392.546 3.927 0 40 GHAB CS(=O)(=O)N[C@@H](CC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 225950903 VEUWMUHTVYSKBY-HNNXBMFYSA-N 387.288 3.613 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 224972213 QKMHQBRWOLLWHV-QFIPXVFZSA-N 398.522 3.990 0 40 GHAB Cc1cc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)ccc1Cl 225066514 AIUJWVYJXRNDDT-LLVKDONJSA-N 376.865 3.968 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 225002676 QVTSBWPHHYBJFB-ROUUACIJSA-N 382.504 3.570 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 225384102 ZEPMILOAMQKPME-RBUKOAKNSA-N 396.531 3.960 0 40 GHAB C[C@@H]1OC(c2cccnc2)=NN=C1SC(=O)c1ccc(Br)cc1 226820589 LYLUUBSROBDGCZ-JTQLQIEISA-N 390.262 3.897 0 40 GHAB CC[C@H](NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccccc1 44900369 WRSKXUBLILCARE-KRWDZBQOSA-N 394.924 3.682 0 40 GHAB Cc1nc(NC(=O)C2CCN(c3ncccn3)CC2)sc1-c1ccccc1 40133470 SVJOIHYJFIYWSQ-UHFFFAOYSA-N 379.489 3.764 0 40 GHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1cccc(C)c1 224090229 HJMQHRGLRPPLOT-IBGZPJMESA-N 398.572 3.824 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 225380395 JPOKWCXJIMXFJD-OALUTQOASA-N 396.531 3.878 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 223463985 PCOBYRJIZVXBPF-UHFFFAOYSA-N 398.503 3.902 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 224878600 DOTRBGDUSAFSGD-QFIPXVFZSA-N 396.531 3.817 0 40 GHAB Cc1nc2ccccn2c1-c1nnc2sc(Cc3c[nH]c4ccccc34)nn12 227143882 VRSJEIZFTSGXOD-UHFFFAOYSA-N 385.456 3.881 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)CC12CCOCC2 96078692 QNDRHOLNIDXDTH-IBGZPJMESA-N 398.890 3.848 0 40 GHAB Cc1ccc(Cc2cc(C)nc([C@H]3CN(Cc4cnn(C)c4)CCO3)c2)cc1 257201798 AJBZCCMGGRJIJC-HSZRJFAPSA-N 376.504 3.596 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)Cc3ccccc3F)C2)ncn1 257284389 PCMMBEKAXXPXIN-INIZCTEOSA-N 394.450 3.521 0 40 GHAB COc1ccc(NC(=O)N2CCC(Oc3ccncc3Cl)CC2)c(OC)c1 253473212 SQBSMYBDCSIDEO-UHFFFAOYSA-N 391.855 3.828 0 40 GHAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3ccnc(C)n3)o2)c1 257298482 RLWDGWIYTRBNPT-HXUWFJFHSA-N 392.459 3.740 0 40 GHAB Cn1ccc(C(=O)N[C@H]2C(C)(C)[C@@H]3C[C@@H]4[C@@H](c5ccccc5)OCC[C@@]42C3)n1 257341620 ZLCLGPTYKLWWJZ-ZIVVNCDHSA-N 379.504 3.733 0 40 GHAB COc1ccc(CNC(=O)N2CC[C@@H](Oc3cccc4cccnc34)C2)cc1 252572371 ZDCBRNPTXKZVJB-LJQANCHMSA-N 377.444 3.606 0 40 GHAB NC(=O)c1ccc(-c2cccc([C@H]3CN(Cc4ccc(F)cc4)CCO3)n2)cc1 257239269 HOQCXCBCYGVTHS-JOCHJYFZSA-N 391.446 3.560 0 40 GHAB CC(C)Cc1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)[nH]n1 257199193 WDALTMWEEOLIFO-XHIHJMKYSA-N 382.552 3.643 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 260844139 FKWQETZDIFDIRX-LSDHHAIUSA-N 388.961 3.827 0 40 GHAB Cc1cccc(C)c1[C@@H]1CCCN1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 664185905 NZSZGZKWYIMFSI-ROUUACIJSA-N 381.524 3.880 0 40 GHAB O=C(c1cccc2ccccc12)N1CCC(S(=O)(=O)c2ccccc2)CC1 96099413 VNOYMOJQTWARKC-UHFFFAOYSA-N 379.481 3.918 0 40 GHAB Cc1cccc(C)c1OC[C@H](O)CNCc1cc2c(C)ccc(C)c2nc1O 585283911 IQLFESUDJUSRGT-LJQANCHMSA-N 380.488 3.704 0 40 GHAB COc1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)NCCc1ccccc1 585139056 HCSFGMHLGGSQEE-RTBURBONSA-N 380.488 3.799 0 40 GHAB O=S(=O)(NCCCOc1ccc(F)cc1)c1cc(Cl)sc1Cl 63766590 MBYNLRHVGAXVJN-UHFFFAOYSA-N 384.281 3.941 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NCC1CCN(CC(F)(F)F)CC1 189295434 AWNUIYWAEWNBNS-UHFFFAOYSA-N 399.240 3.763 0 40 GHAB Cc1cnc(O)n1-c1cccc(-c2noc(-c3cnc(N(C)C)c(Cl)c3)n2)c1 1615613709 XEWDPYJZCJBRTL-UHFFFAOYSA-N 396.838 3.718 0 40 GHAB CC[C@@H]1CN(C(=O)c2cccc(C)c2)[C@H](CO)[C@@H]1CN(C)CCc1ccccc1 1772594955 KRLRWYOSYBOUEW-GMKZXUHWSA-N 394.559 3.629 0 40 GHAB CN(C)c1ccc(C(=O)N2CCC[C@@H](c3ncncc3-c3ccncc3)C2)cc1 12118523 HLFREADJYCBTEN-LJQANCHMSA-N 387.487 3.624 0 40 GHAB Cc1nc(-c2ccccc2)c(CC(=O)N(CCN(C)C)Cc2cccnc2)s1 12360902 XLZITBDGERSUEE-UHFFFAOYSA-N 394.544 3.646 0 40 GHAB O=C(c1ccco1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 15675854 SLOSLWSJPGEWRX-HNNXBMFYSA-N 395.806 3.646 0 40 GHAB biogenic,in-vitro C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cc3ncccc3c(O)n2)CC1 19077998 IDEVUVPDBSIMMP-AWEZNQCLSA-N 395.434 3.648 0 40 GHAB COc1ccc([C@@H]2CN(Cc3ccccc3F)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285514 YNHSEZBJUIOBNL-VQTJNVASSA-N 393.462 3.609 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 19932929 YVBZFGBLDLXVEY-KRWDZBQOSA-N 388.533 3.762 0 40 GHAB CCCCC(C)(C)[C@H](O)/C=C\[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 167059479 ZEMOZGYCFBTCMC-NTBBAXRMSA-N 380.525 3.887 0 40 GHAB CCc1cc(C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)cs1 12276450 UEADFSUCKQTQEW-UHFFFAOYSA-N 393.512 3.977 0 40 GHAB CC(C)c1nccn1CCC(=O)N1[C@H]2CC[C@H]1[C@@]1(CC(=O)c3ccccc3O1)C2 248204193 YUACNKKVROKUAE-GRWTVWFQSA-N 393.487 3.564 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)c1ccc(COC)cc1)Cc1ccccc1O2 19592004 FHHWQHUBTXDEHS-UHFFFAOYSA-N 394.515 3.769 0 40 GHAB CCOc1ccc2c(c1)c(C(=O)N1CC[C@](O)(c3ccc(C)cc3)C1)c(C)n2C 19661911 UVKNWDVMCDAIKF-XMMPIXPASA-N 392.499 3.928 0 40 GHAB C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)N3CCC(O)CC3)ccc2O1 2037874937 FIBOWBHDNVSTTC-QHCPKHFHSA-N 399.918 3.802 0 40 GHAB C[C@H]1CCCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)C1 2723391 DYEOGTSJCKEJBO-LBPRGKRZSA-N 395.575 3.802 0 40 GHAB NC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(Cl)cc1Cl 4135103 PHCZZEVACSNLIE-UHFFFAOYSA-N 379.199 3.856 0 40 GHAB Cc1nc2ccc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)cc2s1 4496160 JXBPLJJEVBQBJN-UHFFFAOYSA-N 380.878 3.671 0 40 GHAB Cc1csc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)n1 16849248 XHMKBZJIXZVHPK-UHFFFAOYSA-N 393.538 3.934 0 40 GHAB CC(C)(C)c1ccc(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1 17112878 ROHJMPUQNRTLFP-UHFFFAOYSA-N 375.472 3.638 0 40 GHAB O=C(c1ccccc1Cl)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575614360 ZXOSABHYHSDQMU-GFCCVEGCSA-N 396.672 3.576 0 40 GHAB CCOc1ccc(C(=O)N2CCC[C@@H](Oc3nc(C)cc(C)n3)C2)cc1OCC 585147298 QHEZTFFVWFIQFQ-GOSISDBHSA-N 399.491 3.574 0 40 GHAB C[C@H](NC(=O)c1cccs1)C(=O)NCc1cccc(Oc2ccccc2)c1 32362550 XWEARCOEKVGNNT-HNNXBMFYSA-N 380.469 3.975 0 40 GHAB Cc1sc2ncn(CCC(=O)Nc3ccc4ccccc4n3)c(=O)c2c1C 40039977 PXMHYJKFVXZHKN-UHFFFAOYSA-N 378.457 3.652 0 40 GHAB COc1ccc(C2=CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 40119694 PTZAITVBAOJSFB-UHFFFAOYSA-N 383.444 3.651 0 40 GHAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 30548690 QYPAOLCJOSZBJO-ZDUSSCGKSA-N 392.546 3.584 0 40 GHAB O=C(CCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O)Nc1cccc2ccccc12 100587432 TWPPQDGUHKBXPF-IAGOWNOFSA-N 382.847 3.686 0 40 GHAB O=C1[C@H]2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 101359165 ILDFWEXBSJJRQS-ZFWWWQNUSA-N 395.629 3.939 0 40 GHAB CC[C@H](CO)Nc1nc2sc(C)c(C)c2c2nc(Cc3ccccc3)nn12 32104089 GKRFDQZMHVWCBI-OAHLLOKOSA-N 381.505 3.729 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(C)o2)cs1)c1cccs1 21329438 XQKCNOOMAPMKHT-LBPRGKRZSA-N 375.475 3.979 0 40 GHAB O=C(CNc1cccc2c1CCCC2)NCc1cccc(NC(=O)C2CC2)c1 21360079 MPJYNTSKTYULLT-UHFFFAOYSA-N 377.488 3.642 0 40 GHAB O=C(CSc1nncc2c1[nH]c1ccc(F)cc12)NCCc1cccs1 32752925 HZUOMAYWBMYWSG-UHFFFAOYSA-N 386.477 3.763 0 40 GHAB Cc1cccc(C)c1OC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 102550004 DEFIZDAQWQIDTH-FVCZOJIISA-N 387.435 3.834 0 40 GHAB NC(=O)N[C@@H](CC(=O)OCc1cc2ccccc2nc1Cl)c1ccccc1 11939835 MNWWFVKFJKRRTA-KRWDZBQOSA-N 383.835 3.731 0 40 GHAB C[C@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)N1CCc2ccccc2C1 2646572 XKJIEPUZGHBYNM-ZDUSSCGKSA-N 375.827 3.538 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)cc1 1343663 HJDIGECLALFPMI-FQEVSTJZSA-N 393.443 3.727 0 40 GHAB COc1ccc(CC(=O)O[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1F 78948824 NXAUULDUBRWCCS-BFYDXBDKSA-N 393.455 3.566 0 40 GHAB Cc1nc(NC(=O)/C=C/c2ccc(Br)cc2)sc1C(=O)N(C)C 2767911 NLCAXNWKOVTTOD-RMKNXTFCSA-N 394.294 3.568 0 40 GHAB Cc1cnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)s1 3560768 OGXNLEFQWCOJFK-UHFFFAOYSA-N 387.486 3.529 0 40 GHAB O=C(N[C@@H]1CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCCCC2)c1 3608517 FILOYPQPSRQLRL-OAQYLSRUSA-N 398.528 3.669 0 40 GHAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 4884721 IEEMQBZULBREPW-UHFFFAOYSA-N 398.528 3.911 0 40 GHAB O=C1[C@@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5ccc(Cl)cc5)[C@H]43)[C@H]2C(=O)N1c1ccccc1 103023411 MAAYCDPIHURLKL-MYLBCWQPSA-N 392.842 3.515 0 40 GHAB O=C1C[C@H](c2ccc(C(=O)O)cc2)c2cnn(Cc3ccccc3Cl)c2N1 61719526 DJWBCXQHLTVWOG-OAHLLOKOSA-N 381.819 3.757 0 40 GHAB COCC(=O)Nc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1 23056541 SIWVTXCQLBELFJ-UHFFFAOYSA-N 397.406 3.637 0 40 GHAB Cc1ccc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1C 979007 XDYGJWVHRGHKEB-UHFFFAOYSA-N 382.485 3.861 0 40 GHAB CSc1ccccc1NC(=O)CN(C)C(=O)c1cc(Cl)c2c(c1)OCO2 12595363 YEGSCEWCPIAFSS-UHFFFAOYSA-N 392.864 3.501 0 40 GHAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 1006080 GWMCZHDQWHUGKZ-RIYZIHGNSA-N 383.853 3.727 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1ccc(Br)cc1F)c1ccccc1 12579871 HAAVOJLTCYYLBC-INIZCTEOSA-N 388.240 3.841 0 40 GHAB COC[C@@H](C)NC(=O)CSc1nc(C)nc2sc(-c3ccccc3)cc12 3269932 YULDUMYZHDGWMX-GFCCVEGCSA-N 387.530 3.910 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nncn1-c1ccccc1CC 26930639 IHEFLVOHVGWFCN-UHFFFAOYSA-N 382.489 3.959 0 40 GHAB Clc1ncn(C23C[C@@H]4C[C@H](CC(c5nnc(-c6ccncc6)o5)(C4)C2)C3)n1 102444025 DTTZTBPWHLVJAH-NYYJTOMGSA-N 382.855 3.624 0 40 GHAB O=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 24100961 BRWVQWZJXSKFLX-UHFFFAOYSA-N 379.743 3.858 0 40 GHAB COc1ccccc1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 2298348 IGMRPOCVWQSRNM-UHFFFAOYSA-N 376.456 3.576 0 40 GHAB CCCOc1ccc([C@H]2[C@H](C(=O)OCC)C(=O)Nc3nc4ccccc4n32)cc1 20637545 IWKQBOMUVDNOIC-OALUTQOASA-N 393.443 3.546 0 40 GHAB Cc1ccc(-c2nc(COC(=O)c3ccc(CN4CCCC4=O)cc3)no2)cc1 22975752 OYWVUGVDCGNFRS-UHFFFAOYSA-N 391.427 3.524 0 40 GHAB COc1ccccc1N(Cc1c(C)noc1C)S(=O)(=O)c1ccc(F)cc1 36390507 VSHKXLQKLGZZGY-UHFFFAOYSA-N 390.436 3.835 0 40 GHAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccc(C(=O)N(C)C)cc3)ccc2c1 12775678 CPUYSOJJSIXSIH-MRXNPFEDSA-N 390.483 3.970 0 40 GHAB CC(C)c1nc([C@@H]2NC(=O)CN2Cc2ccc(Br)cc2)cs1 48364053 WGPOOSSTGZRAGF-OAHLLOKOSA-N 380.311 3.660 0 40 GHAB CN(C)Cc1ccc(CNC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 48354654 BVVWUDQRWJURHU-UHFFFAOYSA-N 382.508 3.598 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2sc(-c3ccsc3)nc2C)n1 11172046 XRQXNVNKCXFJND-UHFFFAOYSA-N 393.515 3.994 0 40 GHAB Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1C 60093613 SDKMNGUFCMHVKP-HXUWFJFHSA-N 386.517 3.961 0 40 GHAB COc1ccc(CNC(=S)NCC2(N3CCCCC3)CCCCC2)cc1 3449237 JZOKXHPNZAAKSP-UHFFFAOYSA-N 375.582 3.848 0 40 GHAB Cc1noc(CSc2ccccc2C(=O)NCCSC(F)(F)F)n1 48484403 NXZNXNOUIHPTCG-UHFFFAOYSA-N 377.413 3.653 0 40 GHAB CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 3516674 KKLBBJZBFUSUBQ-QFIPXVFZSA-N 380.444 3.564 0 40 GHAB CC(C)[C@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccc2c(c1)OCCO2 12921773 AWGOWXOJQVRNRE-INIZCTEOSA-N 393.369 3.724 0 40 GHAB CN1CCN(C(=O)CCc2ccc(OC(F)F)cc2)c2nc3ccccc3nc21 12944949 LTKJFVGQPYLYIH-UHFFFAOYSA-N 398.413 3.647 0 40 GHAB CC(C)(C)C1CCC(NC(=O)CN2CCN(c3ccccc3F)CC2)CC1 13323441 MCQTUJGKJZKTJO-UHFFFAOYSA-N 375.532 3.669 0 40 GHAB O=C1c2ccccc2S(=O)(=O)N1CCSc1c(Cl)cccc1Cl 6000260 CQKSSVAXSZWJED-UHFFFAOYSA-N 388.297 3.930 0 40 GHAB Cc1cccc(OCCN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 14075526 HLKVABUTCWUOHO-UHFFFAOYSA-N 381.472 3.740 0 40 GHAB CC(=O)Nc1cccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1 14188221 KERKGSOMDCOQTF-UHFFFAOYSA-N 387.483 3.756 0 40 GHAB Cc1ccc(-n2nnnc2[S@](=O)Cc2c(F)cccc2Cl)cc1Cl 4789179 KSECDXNEGZXLAG-DEOSSOPVSA-N 385.251 3.724 0 40 GHAB COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(C(=O)O)c1 6793845 FTWFWVCSYGRYFT-VMPITWQZSA-N 376.206 3.808 0 40 GHAB Cc1c(Cl)c(COC(=O)c2ccc(N3CCOCC3)nc2)nc2ccccc12 14803431 SKKGKYAWAOMWND-UHFFFAOYSA-N 397.862 3.785 0 40 GHAB O=C1COc2ccccc2N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 6881890 PEWUCFBDWJEXHG-UHFFFAOYSA-N 396.462 3.913 0 40 GHAB O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NC1CCCCCC1 67261063 LYICBJQCSDWFHR-UHFFFAOYSA-N 396.466 3.531 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 24356540 DLBNWYSOCNIPID-SNVBAGLBSA-N 388.272 3.820 0 40 GHAB COc1ccc(-c2noc(CNC(=O)COc3ccc(C(C)C)cc3)n2)cc1 7759612 DIROCPLGPGAEMV-UHFFFAOYSA-N 381.432 3.564 0 40 GHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)ccc1O 7885018 GNEGBADVQOZVMH-NRFANRHFSA-N 390.395 3.901 0 40 GHAB CN(CC(=O)N1CCN(Cc2cccc3ccccc23)CC1)Cc1ccsc1 7806337 IIKYSCASJNPIIE-UHFFFAOYSA-N 393.556 3.678 0 40 GHAB COc1ccc(-c2cc3ncnc(Sc4nnnn4C4CC4)c3s2)cc1 8074352 MWFZLHAJWAEWPX-UHFFFAOYSA-N 382.474 3.840 0 40 GHAB CC(=O)N[C@@H]1C(=O)N(CCOc2ccccc2Cl)c2c(Cl)cccc21 8048137 LXECCNWAPOSCJO-INIZCTEOSA-N 379.243 3.596 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 24537750 YHAZBIVYJPHWGN-UHFFFAOYSA-N 399.878 3.518 0 40 GHAB O=C(Nc1nc(-c2cccs2)cs1)C1=NN(c2ccccc2)C(=O)CC1 17043416 WBTHVPSQZKAMBR-UHFFFAOYSA-N 382.470 3.993 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCC(C(=O)N2CCCCC2)CC1 9339099 YXKICLZKPSQSID-UHFFFAOYSA-N 393.531 3.645 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 28043343 DGXNPDKCPREGQA-SFHVURJKSA-N 378.881 3.824 0 40 GHAB Cc1ccn2c(=O)cc(CSc3nc(C4CC4)n(-c4ccccc4)n3)nc2c1 9870698 RKIDSUPZMWFQPR-UHFFFAOYSA-N 389.484 3.753 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)NC[C@@](C)(O)C(F)(F)F)cc1C 95445084 GKAJHHRIVTZIED-LJQANCHMSA-N 379.378 3.578 0 40 GHAB Cc1nn(C)c(C)c1-c1nnc2sc(-c3ccc(Br)s3)nn12 95477722 GQKZHFYFTGOWJU-UHFFFAOYSA-N 395.311 3.694 0 40 GHAB Cc1cccc(Nn2c(N)nn(CC(=O)c3c(C)cc(C)cc3C)c2=S)c1 28535257 DAYXZKAMTXRDBV-UHFFFAOYSA-N 381.505 3.988 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(F)cc1 89780757 DLRQSDLBDLFFRF-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 89768364 ZCMLIAQQHDGTOI-LBPRGKRZSA-N 383.260 3.854 0 40 GHAB CN(C(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1)c1ccccc1 409144136 OAFLCDQIRKFESI-UHFFFAOYSA-N 380.429 3.618 0 40 GHAB Cc1nnc(SCc2ccc(Br)cc2Br)nc1O 33654943 LVBKGKVUUAYWPW-UHFFFAOYSA-N 391.088 3.703 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)NCCN(C(C)C)C(C)C)s2)cc1 32841435 VYRUCUREZAFGBS-UHFFFAOYSA-N 375.538 3.976 0 40 GHAB Cc1cc(C)c(Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c(C)c1 71327720 IMCHTEWSZWEVDY-UHFFFAOYSA-N 380.469 3.840 0 40 GHAB Cc1nc(-c2nnn(-c3ccccc3)c2C)sc1C(=O)NCc1ccccc1 35512106 FPVRBGCJQLAIIP-UHFFFAOYSA-N 389.484 3.938 0 40 GHAB O=C(c1cnccn1)N1CCC(c2nccnc2Oc2ccc(Cl)cc2)CC1 72362165 OVMPUXCITPBWNM-UHFFFAOYSA-N 395.850 3.732 0 40 GHAB COc1cccc(-c2cc(N)c(=O)n(Cc3ccc(C(F)(F)F)cc3)n2)c1 36709044 SLRPCGAXHFYEKY-UHFFFAOYSA-N 375.350 3.568 0 40 GHAB COc1ccc2nc(N3CC(C(=O)N4CCCc5ccccc54)C3)sc2c1 62167354 PBGMDAIOGAZBTG-UHFFFAOYSA-N 379.485 3.721 0 40 GHAB CCCn1c(SCc2nc(-c3cccnc3)no2)nc2ccccc2c1=O 669560147 DUXCZAVUXKLJGL-UHFFFAOYSA-N 379.445 3.544 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 219381005 KSBNKYGDWBWFQH-SFHVURJKSA-N 395.459 3.836 0 40 GHAB COc1ccc(CNC(=O)COc2cccc3ccccc23)c(OC)c1OC 218910914 QIENQNUVTJZEKX-UHFFFAOYSA-N 381.428 3.561 0 40 GHAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 224033378 GMFBOTMLOYPDTN-UXHICEINSA-N 392.484 3.809 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 220146940 KJLUTYSOUXXFMG-ZWKOTPCHSA-N 388.533 3.644 0 40 GHAB COc1ccc(-c2ncc(C(=O)Nc3ccc(OC)cc3OC)c(C)n2)cc1 223143037 KNSZGVPHUFKJAO-UHFFFAOYSA-N 379.416 3.730 0 40 GHAB COc1ccc(C[C@@](C)(O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1 77184759 JPXFRZGPADSIKQ-RUZDIDTESA-N 389.495 3.937 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1C 224769200 SYZBLXOVVZXRLK-UHFFFAOYSA-N 389.502 3.940 0 40 GHAB C[C@@H](NC(=O)N1CCC2(CC1)OCCc1ccccc12)[C@@H]1COc2ccccc21 574767023 DNLUPPYJSJMGEF-XLIONFOSSA-N 392.499 3.825 0 40 GHAB CC[C@H](NC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccccc1 44886311 TVDKBQRTYIWLSQ-VQTJNVASSA-N 388.533 3.807 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1OC 223097577 AOZAOCPSZLSQAA-KBPBESRZSA-N 392.455 3.627 0 40 GHAB COc1ccc(NC(=O)CSc2cc(C)nc(-c3cccnc3)n2)cc1OC 49007062 KYOUDSGTPIYAKR-UHFFFAOYSA-N 396.472 3.595 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223871142 SJQTUUHFLNYWPF-APWZRJJASA-N 389.517 3.742 0 40 GHAB Cc1ccc(NC(=O)Nc2c(C)nc(N3CCOCC3)nc2C)c(Cl)c1 224306574 MVGIFYKRQGVQRZ-UHFFFAOYSA-N 375.860 3.536 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccccc1 222938844 CPNVGANCICNLLF-INIZCTEOSA-N 388.508 3.861 0 40 GHAB C/C(=C\C(=O)N(CCC(=O)O)C1CCOCC1)c1cccc(C(F)(F)F)c1 584907989 IDUDIHZEXKUICK-ACCUITESSA-N 385.382 3.591 0 40 GHAB CC(C)c1nc([C@H]2CCCCCN2C(=O)C[C@@H](C(=O)O)c2ccccc2)no1 634911311 VURGXHUWEBMXJF-IAGOWNOFSA-N 385.464 3.895 0 40 GHAB CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N(C)C[C@]34CCC[C@H]3OCC4)n[nH]2)c1C 1653887791 KKKJCCDLLYCFAK-JSVDNDDVSA-N 399.539 3.892 0 40 GHAB OC[C@@H](N[C@@H]1COC2(CCC2)C1)c1ccc(Br)cc1C(F)(F)F 657999620 KWGBJGNLKJPKTO-SMDDNHRTSA-N 394.231 3.803 0 40 GHAB C[Si](C)(C)C1=C[C@H](NCc2ccccc2)n2c(nc3c(N)ncnc32)S1 675008949 CAIAPCGHEJCDSV-CYBMUJFWSA-N 382.569 3.564 0 40 GHAB CCN1CCO[C@@H](CNC(=O)Nc2cc(OC)c(C)cc2C)[C@@H]1c1ccccc1 666986144 UZVBHMHQYFIBDE-VXKWHMMOSA-N 397.519 3.896 0 40 GHAB CC(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CCCC1)C2 585107422 VOBHNJWSLKBALF-QHCPKHFHSA-N 378.520 3.966 0 40 GHAB Cc1cccc(CN2CCC3(CCN(C(=O)c4cccc(F)c4)CC3)C2=O)c1 585099743 ALHSZWRTCJNREE-UHFFFAOYSA-N 380.463 3.789 0 40 GHAB Cn1nccc1CN1CCC[C@@H]1c1csc(NC(=O)c2ccc(F)cc2)n1 585295303 UCDIRWPDCKWDOG-QGZVFWFLSA-N 385.468 3.605 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N1CCN(C2CC2)CC1 105261254 CWXODGUJFIUMJH-CQSZACIVSA-N 388.512 3.808 0 40 GHAB Cn1ncc(Cl)c1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615159162 NURNAHIGOOKKSU-DYVFJYSZSA-N 390.890 3.732 0 40 GHAB O=C(NCc1ccc(F)cc1)[C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595677 JLHWPHIDJBWAOO-URVUXULASA-N 398.453 3.673 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3ccncc3)n2)cc1 5061616 RVXWPXCJFTZWPA-CYBMUJFWSA-N 381.457 3.952 0 40 GHAB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1cccc(C(F)(F)F)c1 5250634 BMUSYLNSXAQJGE-UHFFFAOYSA-N 398.406 3.888 0 40 GHAB COc1ccc(-n2cnnc2S[C@H](C)C(=O)c2ccc(F)c(F)c2)cc1 5689528 CTWQLSBJZFZDKK-LLVKDONJSA-N 375.400 3.918 0 40 GHAB CC[C@H](C)C(=O)N1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12123557 UDUGLIVFKZDUGV-BBRMVZONSA-N 381.480 3.753 0 40 GHAB Cc1cnc(-c2nc([C@@H]3CCCN(C(=O)c4cc(C)c(C)s4)C3)no2)cn1 12187735 RBQXWOIIHXRTLH-CQSZACIVSA-N 383.477 3.533 0 40 GHAB CC(C)C[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1 13504567 PICNEUQWQAQUFN-QFIPXVFZSA-N 390.535 3.631 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2C)ccc1OC 13581352 JKECSEBJMXNMOP-UHFFFAOYSA-N 390.505 3.595 0 40 GHAB C[C@@H](Oc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)C(=O)c1ccccc1 18241141 CIKRJDHEULFVTN-XPGWFJOJSA-N 375.424 3.792 0 40 GHAB O=C(c1ccccc1)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCCCC1 19365933 XQNGBFJNJXVYJR-DHIUTWEWSA-N 378.516 3.797 0 40 GHAB O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 19369046 OMUYDJZYUGVSLD-VQTJNVASSA-N 392.528 3.921 0 40 GHAB C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)COc1ccccc1 19575450 BXBMWEDKAVRPPP-CYBMUJFWSA-N 377.366 3.639 0 40 GHAB Cc1ccc([C@@]2(O)CCN(C(=O)c3cnc(-c4ccc(Cl)cc4)nc3)C2)cc1 19661884 NRGBFPZJZSISJK-JOCHJYFZSA-N 393.874 3.839 0 40 GHAB CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC1CCCCC1 19696470 ICIVIXOUFLOCGC-HSZRJFAPSA-N 395.503 3.714 0 40 GHAB CCCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Br 19943123 XPEWGGWYYCMRIM-STQMWFEESA-N 390.343 3.905 0 40 GHAB O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCN(Cc2cccs2)CC1 22278047 UTCNRROKRLIXKY-NTUHNPAUSA-N 382.938 3.520 0 40 GHAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)C4[C@@H]5CCCC[C@@H]45)CCO3)n2)s1 2037834678 BWMPYNKIEKIKSB-INMHGKMJSA-N 398.532 3.926 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccc(F)cc1 1320553 XMRQSGKTVRCXPU-QHCPKHFHSA-N 393.389 3.972 0 40 GHAB CC(C)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 5136679 VXUJYUCHRBBWNZ-UHFFFAOYSA-N 376.453 3.562 0 40 GHAB C[C@@H]1Cc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2N1S(C)(=O)=O 7986821 HMCFHKXIHKFEOC-LLVKDONJSA-N 398.406 3.668 0 40 GHAB O=C(NC[C@H]1CN(c2ccc(F)cc2)C(=O)O1)Nc1cccc(C(F)(F)F)c1 8839379 WAWHMHBZRYTAHJ-HNNXBMFYSA-N 397.328 3.991 0 40 GHAB Cc1ccc(N2C[C@@H](CNC(=O)c3ccccc3C(F)(F)F)OC2=O)cc1 9069084 DMSLDTSPRFLEOK-CQSZACIVSA-N 378.350 3.769 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1 11612529 WCMRVBOXKAHNPI-QGZVFWFLSA-N 392.908 3.912 0 40 GHAB COc1ccc(Cl)cc1C(=O)NC[C@@H](c1cn(C)c2ccccc12)N(C)C 23239900 SUFLZEWINHPANH-IBGZPJMESA-N 385.895 3.873 0 40 GHAB O=C(CCSc1ccccc1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38946509 OEVLTWZWARNANO-SFTDATJTSA-N 394.540 3.643 0 40 GHAB Clc1cc(Br)cnc1N1CCC[C@H](COc2cnccn2)C1 2298109319 QVOIRWQXMSMMAZ-NSHDSACASA-N 383.677 3.583 0 40 GHAB COC(=O)c1ccc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)o1 4341594 ZBCPMEIUCYCMRB-UHFFFAOYSA-N 384.392 3.627 0 40 GHAB O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1Br 4497481 BFIGFVLEMONQBE-GFCCVEGCSA-N 393.668 3.638 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2sc(C)nc2-c2ccccc2)n1 10421235 JHGRBSMPQXGRSL-UHFFFAOYSA-N 387.486 3.933 0 40 GHAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1ccccc12 100029717 VNXMJCADEAYNID-ZWOKBUDYSA-N 386.448 3.549 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)C(=O)Nc1cccc2ncccc12 31156478 SGEAVKZBDNDVOA-QGZVFWFLSA-N 390.487 3.749 0 40 GHAB COc1ccccc1NC1=N[C@@H](c2ccc(Cl)cc2)n2c(nc(C)cc2=O)N1 101391980 JPBIIMQMFVNWMC-GOSISDBHSA-N 395.850 3.654 0 40 GHAB Cc1ccc(N2C(=O)N(Cc3ccc(C(=O)N4CCCC4)cc3)C(=O)[C@@H]2C)cc1 32636270 MGFDBHRMIBJGMR-KRWDZBQOSA-N 391.471 3.588 0 40 GHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2cncn2-c2ccc(F)cc2)cc1 21510181 MIYQYPQYSOWDRB-CQSZACIVSA-N 382.391 3.838 0 40 GHAB C/C=C/c1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc(OC)c1OC 32841565 CXWHCGFGPOLIFP-VBROQKIQSA-N 383.444 3.999 0 40 GHAB C[C@H](Sc1ccccc1Br)C(=O)Nc1ccc(C(N)=O)cc1 21761770 NKZBVSIUKQTHFE-JTQLQIEISA-N 379.279 3.667 0 40 GHAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)cc1)C1=C(O)CC(C)(C)CC1=N2 102664116 ZBKCUFWSYQBKLC-HNNXBMFYSA-N 399.878 3.588 0 40 GHAB CCc1ccccc1N1C[C@@H](C(=O)N2CCC(c3nc(C)cs3)CC2)CC1=O 102646743 CAGJKZBRSRBGIW-SFHVURJKSA-N 397.544 3.773 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)Oc2ccc(-n3cnnn3)cc2)cc1C 32905437 FDKVUEDYGXBHTH-UHFFFAOYSA-N 398.422 3.729 0 40 GHAB COc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(OC)c4)no3)C2)c1 1362533 RWGMYZRZNJQJQQ-QGZVFWFLSA-N 393.443 3.774 0 40 GHAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1C 1362765 PERVERQHVRSHLJ-HNNXBMFYSA-N 381.505 3.645 0 40 GHAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 21840768 CHNRKOVVQFCYTR-DMNRVOQQSA-N 384.451 3.572 0 40 GHAB CCCCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 6308665 WKUOSZGEEKJUSE-UHFFFAOYSA-N 388.533 3.805 0 40 GHAB COc1cccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)c1 6545222 WEHCNYJGEVPRKL-UHFFFAOYSA-N 382.441 3.574 0 40 GHAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(=O)Cc1ccccc1 6560038 GWAOXEIZRSMZRJ-UHFFFAOYSA-N 388.798 3.731 0 40 GHAB Fc1ccccc1COc1ccc(Br)cc1CNn1cnnc1 7602476 YQKCQFFWWDMKPG-UHFFFAOYSA-N 377.217 3.502 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(I)c2)cc1 675362 XMAMLAVJSCSSDY-UHFFFAOYSA-N 394.212 3.810 0 40 GHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NC1CCCCCC1 8381366 SJNSYWLDNCRJSB-UHFFFAOYSA-N 386.517 3.721 0 40 GHAB Cc1cc(C)cc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)c1 8412596 CLRJIMXFLYKXME-UHFFFAOYSA-N 382.460 3.903 0 40 GHAB COc1ccc(C(=O)Nc2cccc(C(=O)Nn3c(C)ccc3C)c2)c(OC)c1 8475644 VMPBRXFRWLLFKA-UHFFFAOYSA-N 393.443 3.758 0 40 GHAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1 633795 QGMJQSHIMQXMCR-UHFFFAOYSA-N 383.429 3.562 0 40 GHAB CCc1oc2ccccc2c1CN1C[C@@H]2CCC[C@@H](C1)C2(O)c1nccn1C 100150136 WAJVHZRJDLSQMP-IRXDYDNUSA-N 379.504 3.848 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1 812074 UHKOPGHUJGZKPS-UHFFFAOYSA-N 396.399 3.810 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)C1CCN(Cc2ccc(Cl)cc2)CC1 9063407 HSMJHOVMICQZAH-UHFFFAOYSA-N 386.879 3.962 0 40 GHAB CCc1ccc(-c2noc(CN3CCN(c4ccc(C(C)=O)cc4)CC3)n2)cc1 57799163 QYSZVZQIHHMIJE-UHFFFAOYSA-N 390.487 3.824 0 40 GHAB CCc1nnc2sc(-c3cccc(NC(=O)COc4ccccc4F)c3)nn12 20609611 SOUPNDMYMNPEAY-UHFFFAOYSA-N 397.435 3.572 0 40 GHAB C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@H](Cc1ccccc1)c1ccccc1)CS2 105929846 KLEPVTFYOHBHRD-KNKQGSTJSA-N 380.513 3.541 0 40 GHAB O=S(=O)(Cc1nc2ccccc2n1C[C@H](O)c1ccccc1)c1ccccc1 12547561 HPBCIOZNAOYDKG-NRFANRHFSA-N 392.480 3.744 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)N(C)[C@@H]2CCCc3ccccc32)CC1=O 24761576 TXNLNUXQHHXEDI-PKOBYXMFSA-N 378.472 3.584 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccc(OC)c(OC(F)F)c2)c(OC)c1 24925441 DGTHIRPAWNJCDT-WEVVVXLNSA-N 379.359 3.966 0 40 GHAB O=C(CC[C@H]1CCCO1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 25019201 WZMGNCLRAWYDQO-OAHLLOKOSA-N 382.416 3.565 0 40 GHAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccccc1N1CCOC[C@@H]12 25184693 SWYPMYZOPNHHBL-CTNGQTDRSA-N 381.863 3.510 0 40 GHAB CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 12606177 RVZWJBOJHKGSFU-NSHDSACASA-N 381.354 3.983 0 40 GHAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C(C)C)c1=O 57427338 ICOFPYKKNYTNRC-UHFFFAOYSA-N 399.516 3.787 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3oc4c(F)cccc4c3C)n[nH]2)cc1OC 12621960 BSKMJNOCMUTDGE-UHFFFAOYSA-N 396.378 3.935 0 40 GHAB O=S(=O)(Nc1cnn(-c2cnn(-c3ccccc3)c2)c1)c1ccc(Cl)cc1 20530684 MYGORYHXCUIJHF-UHFFFAOYSA-N 399.863 3.512 0 40 GHAB CCCO[C@H]1CCCN(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)CC1 108567841 GNJVRSJHOCXXLR-SFHVURJKSA-N 390.524 3.726 0 40 GHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CCN2CCCC[C@H]12 48238158 TYZDEDBUAGJCHI-HUUCEWRRSA-N 377.847 3.799 0 40 GHAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 57992934 YOTKSCPMOUMAFU-XEZPLFJOSA-N 375.387 3.737 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)CCC(C)C)c1 12799621 AIKCOGWFGLDWSF-CQSZACIVSA-N 388.961 3.925 0 40 GHAB Cc1ccc(C(C)C)cc1OCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 10966142 LNCKKMKTKGFLRZ-MRXNPFEDSA-N 389.517 3.778 0 40 GHAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)C1 28684477 JEFMHINPSSXLDW-OAHLLOKOSA-N 398.532 3.754 0 40 GHAB Cc1ccc(F)c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 12776658 STKXGXNCTLXLJH-UHFFFAOYSA-N 385.464 3.813 0 40 GHAB Cc1cc(C)n(C[C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(C4CC4)c23)n1 36617401 RIJWKHYLNOCGGF-GFCCVEGCSA-N 379.464 3.609 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 12759735 RPSNXLMRJAMFPY-IUYMFKLXSA-N 395.455 3.852 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(C)n2C2CC2)cc1Br 12764476 LHWUUQIDKAXKPB-UHFFFAOYSA-N 381.299 3.723 0 40 GHAB C[C@@H]1c2ccsc2CCN1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 48368481 MNNRZFQASUFQHN-LLVKDONJSA-N 379.411 3.862 0 40 GHAB COc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C(F)(F)F)c1 48302202 GUEBVGGSYMIMLF-UHFFFAOYSA-N 392.333 3.620 0 40 GHAB C[C@H](CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)NC(=O)c1ccccc1 11418299 QHNYKMURGZQCTB-CQSZACIVSA-N 399.878 3.614 0 40 GHAB CCN(CC)CCNC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 12801334 FRNQTSAFMQOBDI-UHFFFAOYSA-N 390.911 3.999 0 40 GHAB CS(=O)(=O)/N=C(\O)c1sc2cccc(F)c2c1COc1ccccc1 48480527 DCUMTKATWSQEQE-UHFFFAOYSA-N 379.434 3.884 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc4c(C)cc(=O)oc4c3)CC2=O)cc1 12907516 KNIKAJYLUXVCGY-MRXNPFEDSA-N 390.439 3.655 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 13022778 LDZUHTRMFKHMLF-LBPRGKRZSA-N 378.881 3.901 0 40 GHAB O=C(COc1ccc(-c2ccccc2)cc1Br)NC[C@H]1CCCO1 8566770 NLGQVXOGRYBOMW-MRXNPFEDSA-N 390.277 3.790 0 40 GHAB CCc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1 14084640 XCPYFYCTUGUDHD-UHFFFAOYSA-N 387.501 3.541 0 40 GHAB Cc1nc2c(cc(OCC(=O)NO[C@@H]3CCCCO3)c3ccsc32)s1 65500035 KJRQITIRDRNEGN-OAHLLOKOSA-N 378.475 3.773 0 40 GHAB CCCCOc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409201814 YKMLRZXSSQHAGE-AQTBWJFISA-N 380.444 3.967 0 40 GHAB CC(C)(C)c1ccc(CN(C(=O)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 8869794 YERFLBHQEQRKOL-HXUWFJFHSA-N 385.529 3.814 0 40 GHAB CCOC(=O)[C@@H]1C(=O)Nc2ccccc2N1C(=O)Nc1ccc(C)c(Cl)c1 8861657 HJOKCIFKQNOVRE-INIZCTEOSA-N 387.823 3.571 0 40 GHAB CN1CCN(C(=O)c2ccccc2)C[C@H]1c1ncn2cc(-c3cccnc3)ccc12 306129450 IDRGXTMDQATTTO-QFIPXVFZSA-N 397.482 3.525 0 40 GHAB Cc1csc(=O)n1CCSc1nnc(-c2cccc(Br)c2)o1 8940673 OHZWUMMKGLQGGF-UHFFFAOYSA-N 398.307 3.823 0 40 GHAB O=C(CSC1=Nc2ccccc2[C@H]2CC=NN12)Nc1ccc2c(c1)OCO2 6890521 UFCYGELOJNKDTC-OAHLLOKOSA-N 380.429 3.521 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)N(C)c2ccccc2)nc2cc(C)[nH]c2c1=O 67238916 SWSNVCORCPAYFZ-CQSZACIVSA-N 384.505 3.759 0 40 GHAB O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(Br)cc1Cl 7050487 QJVDYODUKRBPJQ-UHFFFAOYSA-N 386.658 3.780 0 40 GHAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccccc1Cc1ccccc1 7046814 QRXKRMJNUGQVEB-UHFFFAOYSA-N 390.483 3.925 0 40 GHAB COC(=O)c1c(N)oc2c(-c3ccccc3)c3c(C(=O)OC)c(N)oc3cc12 67300041 QYJPZUJQZGDTRU-UHFFFAOYSA-N 380.356 3.584 0 40 GHAB CCc1ccc(-c2noc(CSc3nnc(-c4ccc(C)cc4)n3N)n2)cc1 7112126 KJEVDFFBYDNUCP-UHFFFAOYSA-N 392.488 3.872 0 40 GHAB Cc1noc(C)c1CN1CCO[C@@H](c2nc3ccc(-c4ccccc4)cn3n2)C1 306142196 WSLADMXQVROTIN-HXUWFJFHSA-N 389.459 3.575 0 40 GHAB Cc1nc(-c2ccccn2)nc(NCc2ccc(Cn3ccccc3=O)cc2)c1C 68691302 OWLDXPGXLXWAHF-UHFFFAOYSA-N 397.482 3.978 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)N2CCC(c3nc4ccccc4o3)CC2)cc1 7984633 FEUMBYQDBMNWBM-INIZCTEOSA-N 393.487 3.721 0 40 GHAB O=C(c1cccc(-n2cnnn2)c1)N(CCc1ccccc1)Cc1cccs1 8072608 OJLPNIANDLYUBM-UHFFFAOYSA-N 389.484 3.609 0 40 GHAB Cn1nc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c2ccccc2c1=O 8343944 KAAYUYICYJKEEI-NRFANRHFSA-N 383.451 3.647 0 40 GHAB COc1ccc(-c2c(C)nn3c(O)cc(CSc4nccc(C)n4)nc23)cc1 9419220 NNZNQXDXFDSBLX-UHFFFAOYSA-N 393.472 3.810 0 40 GHAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1-c1nccs1 9446402 XARDSQKADUTAGN-UHFFFAOYSA-N 397.485 3.971 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NO[C@H]1CCCCO1 72058898 XAALJXFWRLVPSB-SFHVURJKSA-N 398.290 3.913 0 40 GHAB Cc1cccc(N(C)C(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1 72088648 CHXYFXDCDPJCSV-UHFFFAOYSA-N 378.519 3.508 0 40 GHAB NC(=O)NCc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 95381807 RBUGSPKEESLCIV-HUUCEWRRSA-N 377.366 3.616 0 40 GHAB CC(C)n1ccc2c(NC(=O)[C@@H](C)n3nnc4ccccc4c3=O)cccc21 95472762 FWPTXAVDSBABCQ-CQSZACIVSA-N 375.432 3.527 0 40 GHAB O=C(/C=C/c1nc2ccccc2s1)Nc1cccc2c1C(=O)N(C1CC1)C2=O 95997551 JDDWLCSJOISJOS-ZHACJKMWSA-N 389.436 3.707 0 40 GHAB COc1ccccc1[C@@H]1CCCN1S(=O)(=O)Cc1cccc2cccnc12 95960182 DMCVLHHUNAXPKH-IBGZPJMESA-N 382.485 3.910 0 40 GHAB O=C(Nc1cccnc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 408548204 QKNIHURZAFXRGC-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NC2CCCCCCC2)cc1 408584124 LVKVZOOGGZDBFY-UHFFFAOYSA-N 394.581 3.925 0 40 GHAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(C)s2)C1=O 409211360 IVFIVACBZJTAMJ-DHDCSXOGSA-N 388.470 3.740 0 40 GHAB CCCCCN1C(=O)S/C(=C\c2ccc(OCC(=O)OCC)cc2)C1=O 409218088 YLZMJYPDURYNLD-VBKFSLOCSA-N 377.462 3.855 0 40 GHAB Cn1nccc1[C@@H]1CCCCN1C(=O)CCc1ccccc1Br 281225754 JXJHTISEXZZXOR-KRWDZBQOSA-N 376.298 3.869 0 40 GHAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)ccc1O[C@H](C)CC 409214435 XVKSZFYGWLIIGF-LVLBFHFTSA-N 379.478 3.945 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 517566657 NFDAGSSWFKDBQU-QGZVFWFLSA-N 395.846 3.839 0 40 GHAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccnc1OCC(F)(F)F 32763172 UWNWTHHHILIDNF-CQSZACIVSA-N 399.438 3.651 0 40 GHAB Cc1cc(O)nc(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@H]32)n1 408545531 ZLZDQERGOKLVMA-UKRRQHHQSA-N 383.498 3.585 0 40 GHAB CC(C)N(C(=O)CSc1nnc(COc2ccccc2)n1C)c1ccccc1 32604386 PYUKDJDXLOFVQO-UHFFFAOYSA-N 396.516 3.928 0 40 GHAB CCn1cc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cn1 32604081 CSVFDUSDDBNAEJ-UHFFFAOYSA-N 384.509 3.553 0 40 GHAB COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2Cc2ccccn2)c1 72376878 LHTUETFGSFGLMS-HXUWFJFHSA-N 375.476 3.857 0 40 GHAB Cc1nc(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4F)n3)C2)co1 72363262 KMBCPFLCYDTEIY-AWEZNQCLSA-N 382.395 3.724 0 40 GHAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(N2CCCC2)nn1 77099886 BAHIEXDGKKLPNW-UHFFFAOYSA-N 390.472 3.705 0 40 GHAB CCOCCCNC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225833133 OYRYTFWERGFMBL-UHFFFAOYSA-N 379.460 3.879 0 40 GHAB COc1ccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 225460964 QAMHQHAQGKWGMP-UHFFFAOYSA-N 379.478 3.945 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)c1 225729561 XOSYTDSOOFBESQ-ZIAGYGMSSA-N 397.972 3.781 0 40 GHAB O=C(CSCc1cccc(Cl)c1)N1CCC(c2nnc3n2CCC3)CC1 40150219 NSNKNBIZZGLYBC-UHFFFAOYSA-N 390.940 3.517 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 45675663 LPTKKPPWUBNJOS-QGZVFWFLSA-N 398.503 3.901 0 40 GHAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 40160275 HQTXLRHTVQEJCV-IBGZPJMESA-N 392.421 3.705 0 40 GHAB NC(=O)COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)cc1 40267199 LJYVIVACNIOFNN-AWEZNQCLSA-N 396.834 3.513 0 40 GHAB NC(=O)c1cccc(-c2nc3cc(Br)cc(Br)c3[nH]2)c1 226343909 QVDPMBPAQDRXHE-UHFFFAOYSA-N 395.054 3.854 0 40 GHAB O=C(c1cnc2ccccc2c1)N1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 96077425 OYMMASUASUFYNJ-HSZRJFAPSA-N 389.430 3.643 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CN(C(=O)c2ccc(Cl)cc2)CC12CCOCC2 96078693 QNDRHOLNIDXDTH-LJQANCHMSA-N 398.890 3.848 0 40 GHAB CC1(C)[C@H](NC(=O)C(F)F)[C@@H]2CCCN(c3nc4cccc(F)c4s3)[C@H]21 585137770 SMPYUZIDUBAVRG-CUOATXAZSA-N 383.439 3.810 0 40 GHAB Cc1cccnc1C(=O)N1CC2(CO[C@@H]3c4ccccc4OC(C)(C)[C@H]3C2)C1 257311019 UHPADQFPTLDMMT-FXAWDEMLSA-N 378.472 3.781 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@]2(C)c2ncc(Cc3cccc(F)c3)o2)cn1 257256376 KLESORDSPDAKMM-NRFANRHFSA-N 380.423 3.654 0 40 GHAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3cnc(C)cn3)CC2)n1 257284412 PCPHZWCRKGIHEE-UHFFFAOYSA-N 391.475 3.726 0 40 GHAB COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 253490609 JKXQEBJVZBCFGF-OAQGBNKUSA-N 390.520 3.929 0 40 GHAB NC(=O)[C@H](NCC1(c2ccc(Br)s2)CCC1)c1ccc(F)cc1 556792368 AMDCDRILSOXATF-OAHLLOKOSA-N 397.313 3.888 0 40 GHAB Cc1c(NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cnn1CC(C)C 626322044 BBWMDJQMZDMSNR-RHSMWYFYSA-N 381.398 3.968 0 40 GHAB CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N(C)C[C@]34CCC[C@H]3OCC4)n[nH]2)c1C 1653887790 KKKJCCDLLYCFAK-BPSNYSSFSA-N 399.539 3.892 0 40 GHAB C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(C(F)(F)F)cnc1O 635597154 CSDSOCHLEZGKSM-CQSZACIVSA-N 393.409 3.543 0 40 GHAB COc1cccc(N2CCN([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)c1 57024669 VYIOCSIFEGZEKW-IBGZPJMESA-N 381.520 3.770 0 40 GHAB O=C(OCCc1c[nH]nc1C(F)(F)F)c1csc(Cc2ccccc2)n1 56231173 FQNRWSGJFHGMBE-UHFFFAOYSA-N 381.379 3.875 0 40 GHAB CC1CCN(C(=O)COc2ccc(N(C)C(=O)Oc3ccccc3)cc2)CC1 95427516 IEDZCBFMGSREMB-UHFFFAOYSA-N 382.460 3.959 0 40 GHAB COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccco2)cc1 1041526 HMYLMANNHRRXRU-PMACEKPBSA-N 377.396 3.854 0 40 GHAB COc1ccc(Br)cc1CN(C)C(=O)c1cccc(N(C)C)c1 5421629 IZMDDKJTQNSTSU-UHFFFAOYSA-N 377.282 3.796 0 40 GHAB Cc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)C3=COCCO3)nc12 5265356 JZEANIDALXPNAC-UHFFFAOYSA-N 381.457 3.730 0 40 GHAB Cc1cc(C)c(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)c(C)c1 11566374 VEXFLJBULPYMRV-UHFFFAOYSA-N 376.456 3.681 0 40 GHAB Nc1cc(-c2ccco2)nn(CC(=O)N(C2CCCCC2)C2CCCCC2)c1=O 12146658 XUNJRHOLSMFRIK-UHFFFAOYSA-N 398.507 3.580 0 40 GHAB Cc1cccc(CC(=O)N[C@H](c2nc3c4c(C)c(C)oc4ncn3n2)C(C)C)c1 12236114 JWUUTZGPSPOHNR-IBGZPJMESA-N 391.475 3.852 0 40 GHAB COc1cc(CCNC(=O)N2CCc3ccccc3C2)ccc1OC(F)F 12767920 LQYLTVWCBOBKEW-UHFFFAOYSA-N 376.403 3.607 0 40 GHAB COc1ccc(/C=C2/C(=O)N(Cc3ccco3)SC2=S)c(OC)c1OC 17109488 HTFYXSCUWSIQDB-LCYFTJDESA-N 391.470 3.707 0 40 GHAB Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCCN(C(=O)C(C)C)C3)on2)cc1 19212220 LNRHCYBILFFJAG-QHCPKHFHSA-N 397.519 3.546 0 40 GHAB COc1ccc(CN(C)C(=O)c2[nH]c3ccc(C)cc3c2NC(C)=O)cc1OC 19220035 ZTCYKFFWNRYPIR-UHFFFAOYSA-N 395.459 3.724 0 40 GHAB COc1c(C)cccc1CN1CCCC[C@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 19235981 QLEYLKZPFOBJHV-FQEVSTJZSA-N 390.487 3.876 0 40 GHAB CCc1nccn1C[C@H](C)C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 19523592 DWXXTKVRLQLXOS-HRAATJIYSA-N 385.508 3.756 0 40 GHAB O=C(C1CCC1)N1CCC([C@@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 19696036 SJTWMMVHYWIXHC-NRFANRHFSA-N 384.495 3.769 0 40 GHAB CCCN1CCO[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19762495 VIUITSKIQWGBPA-GOSISDBHSA-N 382.489 3.727 0 40 GHAB COc1c([C@H](O)CC(C)C)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)O 222970291 UBLWVDAGKZUFHH-OAHLLOKOSA-N 390.432 3.772 0 40 GHAB biogenic,in-vitro COc1ccc(N(C)C(=O)C(F)(F)F)cc1-c1cc2ccccc2oc1=O 226358406 FABXXCLOZUFDTO-UHFFFAOYSA-N 377.318 3.994 0 40 GHAB COc1cc(CN2C[C@@H](c3ccccc3)C3(CCCC3)C2)ccc1OCC(N)=O 12228161 YOGICIJIMOLDIR-FQEVSTJZSA-N 394.515 3.719 0 40 GHAB COc1cccc(CN2CCC(O)(c3cccnc3)CC2)c1OC1CCCC1 12363723 SYVQZLPXXGWZEO-UHFFFAOYSA-N 382.504 3.895 0 40 GHAB COc1ccc2cc(C(=O)NC[C@@H](O)c3ccc(-c4ccco4)s3)[nH]c2c1 1889006023 BPQRAKICMLJPIW-MRXNPFEDSA-N 382.441 3.961 0 40 GHAB O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCC2(CC1)OCCO2 24997039 YWEZXJNKFBAQHN-UHFFFAOYSA-N 387.863 3.751 0 40 GHAB O=C(Nc1ccc(Br)cc1)c1ccc(OC[C@@H]2CCCO2)nc1 245015199 LQIVELAVAVYTCJ-HNNXBMFYSA-N 377.238 3.654 0 40 GHAB CCOC(=O)[C@]1(C(F)(F)F)N=C2C=CC(Cl)=CN2C(c2ccccc2)=N1 2050142 IGIKUIHHIQEDKJ-INIZCTEOSA-N 383.757 3.619 0 40 GHAB O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)NC1CCCCC1 4553719 IYPGLUCYXCXIDD-HNNXBMFYSA-N 398.575 3.957 0 40 GHAB CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1cc(F)ccc1C)C(F)(F)F 6350125 IUDXUXUEUNJGNE-GOSISDBHSA-N 398.356 3.798 0 40 GHAB CC1(C)COc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2NC1=O 9173876 IJFHADFQQKALLQ-UHFFFAOYSA-N 394.880 3.639 0 40 GHAB COc1cccc(COc2cn(C)c(C(=O)Nc3cc(C)cc(C)c3)cc2=O)c1 12167778 YGTFZMBAGIXRNA-UHFFFAOYSA-N 392.455 3.842 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)c1ccc(OC(F)(F)F)cc1 1775966226 UZDRRFLXYLOZAN-CYBMUJFWSA-N 381.306 3.902 0 40 GHAB O=C(NCc1cn(-c2cccnc2)nn1)c1ccc(-c2cccc(Cl)c2)cc1 575414393 IAITZNRJLFHXKT-UHFFFAOYSA-N 389.846 3.913 0 40 GHAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148964 NFSODZZIBKIKBV-CQSZACIVSA-N 381.856 3.592 0 40 GHAB COc1ccc(-c2nc(CN3CCN(C(=O)C[C@H]4C=CCC4)CC3)cs2)cc1 30568706 HEVCSQUAKJVHBT-KRWDZBQOSA-N 397.544 3.819 0 40 GHAB O=C(NCCc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 40556272 POPKYQNXJRIVOJ-FKBYEOEOSA-N 376.500 3.819 0 40 GHAB COc1ccc(Br)c(C(=O)Nc2cc(NC(C)=O)ccc2F)c1 32754257 IGQPXPBUPNNEEN-UHFFFAOYSA-N 381.201 3.808 0 40 GHAB CC(=O)N[C@@H](CC(=O)NCCCCOc1ccc(Cl)cc1)c1cccs1 21418781 ORLJTUPOFSPBDM-KRWDZBQOSA-N 394.924 3.944 0 40 GHAB COc1ccc2nc(C)c(C(=O)NCc3ccccc3Cn3cccn3)cc2c1 29769782 DWLTWBKRZSVNBU-UHFFFAOYSA-N 386.455 3.727 0 40 GHAB CSCC[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1nc2ccccc2[nH]1 2653825 ITYMRZCKQCMQDB-GOSISDBHSA-N 392.484 3.629 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1OC 1972604 VPOQYVFOMSASML-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB COC(=O)CCN(CC(C)C)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 79109158 WSTXZACZKUSBRR-UHFFFAOYSA-N 382.386 3.583 0 40 GHAB Cn1cc(CCC(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)c2ccccc21 79489870 HJOXGOCNYGZWSO-UHFFFAOYSA-N 377.423 3.598 0 40 GHAB C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccc(F)cc1Cl 3559180 XLBLKLQFKNIABO-VIFPVBQESA-N 380.832 3.987 0 40 GHAB COc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 3275168 RPPHIQYNSPASHF-UHFFFAOYSA-N 390.439 3.918 0 40 GHAB Cc1ccc(OCc2nnc(S[C@H](C)C(=O)O)n2Cc2ccccc2)cc1 4130625 SCNQRLOULDHKJZ-OAHLLOKOSA-N 383.473 3.779 0 40 GHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(=O)n3c(nc2c1)CCCCC3 6114053 YBIHOOSBUCMRED-UHFFFAOYSA-N 391.515 3.822 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1CC(C)C 6327436 LDCTXKYEAFJJOU-UHFFFAOYSA-N 397.504 3.736 0 40 GHAB CCCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 6396439 XMIJNZJXYQHNQG-NEPJUHHUSA-N 381.494 3.720 0 40 GHAB COCc1nc2ccccc2c(C)c1C(=O)OCCOc1ccc(OC)cc1 22356959 RYQJRUQJHAQIFU-UHFFFAOYSA-N 381.428 3.934 0 40 GHAB Nc1c(C(=O)N2CCOCC2)sc2nc(-c3cccs3)c3c(c12)CCCC3 12249793 KAFQXVQXVYRNKT-UHFFFAOYSA-N 399.541 3.958 0 40 GHAB COc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCCOc1ccccc1C 8571568 UHOSUXSRLRPIAH-QGOAFFKASA-N 392.455 3.647 0 40 GHAB O=C(Nc1cccc(N2CCCC2)c1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 47290013 UOOKEWULMXIPPC-FQEVSTJZSA-N 391.515 3.707 0 40 GHAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)CCOc3ccc(Cl)cc3)ccc21 23537954 RQFMLSIRAGZLOV-UHFFFAOYSA-N 399.878 3.529 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)N(Cc1ccccc1)CC(F)F 72314064 CTOMBQPINMGFEH-UHFFFAOYSA-N 398.413 3.591 0 40 GHAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(O)c2)n1 1287686 ODRUCDJPFCDMHQ-FQEVSTJZSA-N 384.391 3.952 0 40 GHAB Cc1ccc(OCCn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 12539534 ULVSTNGFRUTCEE-UHFFFAOYSA-N 375.428 3.947 0 40 GHAB Cc1ccoc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 25321303 YNVXBNFIDNDGGE-ZIAGYGMSSA-N 376.478 3.507 0 40 GHAB CCc1nnc2sc(-c3cccc(NC(=O)c4cccc(OC)c4)c3)nn12 57316929 BZHLWLOFKSCCCU-UHFFFAOYSA-N 379.445 3.676 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)N1CCCN(C(=O)c3ccsc3)CC1)C2 107337884 YESOOJLWPYZIDI-FIKGOQFSSA-N 389.565 3.820 0 40 GHAB c1ccc(-c2noc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)n2)cc1 26436647 ZHCBZARBHXYDCY-HNNXBMFYSA-N 394.412 3.924 0 40 GHAB CC[C@H](NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccccc1 20490509 TYTHGUXHQWUKGL-SFHVURJKSA-N 394.924 3.682 0 40 GHAB C[C@@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc(-n2ccnc2)cc1 12547614 WDPCSMVCMZHRMM-PBHICJAKSA-N 381.863 3.954 0 40 GHAB O=C(O)Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 20152085 YEPCOICYICNPKQ-UHFFFAOYSA-N 383.256 3.747 0 40 GHAB O=C(NCc1ccnc(N2CCOCC2)c1)N1CCC[C@@H]1CC1CCCCC1 57990709 SKGYSGJWVABARP-HXUWFJFHSA-N 386.540 3.563 0 40 GHAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCO2 3219541 WQHQOSDSXIWWCX-UHFFFAOYSA-N 389.407 3.729 0 40 GHAB CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1 58150758 MAGGXEIEQQDYQM-UHFFFAOYSA-N 381.476 3.760 0 40 GHAB COc1ccc(NCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)c(OC)c1 2120296 CKFHNFSHKYKPJW-MFOYZWKCSA-N 388.420 3.949 0 40 GHAB Cc1ncncc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 100156253 DKOYAXWSGNFDPZ-OKILXGFUSA-N 383.477 3.600 0 40 GHAB CCCCN1C(=O)[C@H]2ON(c3ccccc3C)[C@@H](c3ccc(OC)cc3)[C@H]2C1=O 100799370 UQWSVJQDAOICJZ-HKBOAZHASA-N 394.471 3.650 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c1 48254065 UOPHKPBKPMCLGG-UHFFFAOYSA-N 389.440 3.964 0 40 GHAB O=C(NCc1cccnc1-n1cccn1)c1ccc(C2SCCS2)cc1 48265292 SHCCXSOVSNQYDB-UHFFFAOYSA-N 382.514 3.676 0 40 GHAB CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C1CCCC1 20460680 UCOMEWAFYWXSBQ-UHFFFAOYSA-N 384.929 3.529 0 40 GHAB COc1cc(/C=C/C(=O)NCCCC(=O)O)ccc1OCc1ccccc1C 62715170 OADRLNVBWXZWRO-ZRDIBKRKSA-N 383.444 3.577 0 40 GHAB O=C(CCCNC(=O)c1cccs1)NCCOc1ccc2ccccc2c1 10995961 ZOCLAWGYMVXIQH-UHFFFAOYSA-N 382.485 3.607 0 40 GHAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(OC[C@@H]2CCCO2)cc1 3366591 VWBNOSNODFZDJS-KRWDZBQOSA-N 379.412 3.765 0 40 GHAB CCOc1ccc(CN(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1OC 3345425 XJKVPZHGVWKKNQ-UHFFFAOYSA-N 380.847 3.957 0 40 GHAB Cn1ccnc1[C@H](NC(=O)NCCc1cccc(Cl)c1)c1ccccc1F 29338256 SLIGPQLCTLGTOV-GOSISDBHSA-N 386.858 3.844 0 40 GHAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCCO2 11759383 ZKKSGIGDEBWMAV-UHFFFAOYSA-N 388.851 3.650 0 40 GHAB CCCC(=O)Nc1ccc(CNC(=O)c2cccc(Nc3ncccn3)c2)cc1 48366313 VVSOSAVXTKXKIT-UHFFFAOYSA-N 389.459 3.889 0 40 GHAB O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 12905639 SDHPXAWLKBPJGX-TVQRCGJNSA-N 392.830 3.944 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)cc1Cl 12924075 RFTVSVMQBJPBPH-UHFFFAOYSA-N 394.924 3.996 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCC1=CCCCC1 13007151 OQLZWGOIRCGEKJ-UHFFFAOYSA-N 394.313 3.886 0 40 GHAB CN(CC(=O)Nc1ccc(F)cc1)Cn1nc(-c2ccccc2F)oc1=S 13097587 PGBVKLUYZYETEH-UHFFFAOYSA-N 390.415 3.679 0 40 GHAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1C(=O)N1CCCC1 178444323 FAJGNNQGWUPPCF-UHFFFAOYSA-N 378.472 3.819 0 40 GHAB COc1cccc(/N=c2\oc3ccccc3cc2C(=O)NC[C@H]2CCCO2)c1 13426927 MXJAWLGSASZGND-FNWSHLARSA-N 378.428 3.583 0 40 GHAB COc1cc(C)cc2oc(=O)c(CC(=O)NCCCc3ccccc3)c(C)c12 4089943 QKXIMGCJENDVSH-UHFFFAOYSA-N 379.456 3.710 0 40 GHAB biogenic Cc1cccnc1NC(=O)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 49548244 UYRSAUQCUYVYBX-UHFFFAOYSA-N 379.370 3.897 0 40 GHAB O=C(c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1)N1CCOCC1 6112643 ZZBHHFHSWCQMDE-UHFFFAOYSA-N 375.403 3.995 0 40 GHAB biogenic CC(C)c1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C)C3 4342337 ZTGSZFDDMCXFGB-ZDUSSCGKSA-N 396.516 3.740 0 40 GHAB COc1c(Br)ccc2c1sc1ncnc(N[C@H](C)C(=O)O)c12 13941927 IRIWWGWOJCHKHW-ZCFIWIBFSA-N 382.239 3.501 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c1 13944856 FFOIDCUBDOCCIR-INIZCTEOSA-N 379.435 3.645 0 40 GHAB CC(C)(C)C(=O)NC(=S)Nc1ccc(I)cc1Cl 4695601 RAIXSILBQYAFNW-UHFFFAOYSA-N 396.681 3.804 0 40 GHAB COc1cccc(-c2cnc(NCc3ccc(OC)c(OC)c3OC)n2C)c1 4678609 GZKACRIOEOKLQX-UHFFFAOYSA-N 383.448 3.734 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 5688551 GWPQLJWRVPIARG-KRWDZBQOSA-N 380.473 3.598 0 40 GHAB CN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc2ccccc2c1 28188722 FWEZPEKZQPULLR-UHFFFAOYSA-N 379.441 3.989 0 40 GHAB COCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(OC)cc2)s1 4881022 LIJHFJPROHNTOO-UHFFFAOYSA-N 387.436 3.646 0 40 GHAB COc1cc(C)c(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1OC 7050700 LEKCGSFDPNBYTI-UHFFFAOYSA-N 375.368 3.832 0 40 GHAB O=C(CSc1nnc(C2CC2)o1)Nc1nc(-c2ccc(F)cc2)cs1 7288863 UKJYWZWYCNYPIC-UHFFFAOYSA-N 376.438 3.940 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 15869308 VIFOVQRDGLCRJX-NRFANRHFSA-N 399.450 3.991 0 40 GHAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1C1CC1 7617102 ZZQHXVCEWGDQJV-CYBMUJFWSA-N 397.508 3.572 0 40 GHAB CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)[C@H]1CCCc2ccccc21 7987938 DRBBYXWFLCGPFK-IBGZPJMESA-N 395.894 3.869 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 7990341 NMZXYCXXXJXBKD-UHFFFAOYSA-N 388.272 3.723 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)n1 8130800 UMFZEBSTVVXJKK-UHFFFAOYSA-N 388.515 3.884 0 40 GHAB CC(=O)c1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 8310386 KGMRTDKWCMUSKH-HXUWFJFHSA-N 394.471 3.826 0 40 GHAB COc1cccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)c1 17086275 WQBJEXQJOYGCTE-GOSISDBHSA-N 395.850 3.868 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(CN2CCCC2)cc1 9996105 MTLRPNUTACHGDX-UHFFFAOYSA-N 379.460 3.609 0 40 GHAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC[C@H]2[C@@H]2CCCN2C)o1 89526074 YESZTMWXXSWVNE-ROUUACIJSA-N 393.491 3.759 0 40 GHAB O=C(c1cccc2cn[nH]c12)N(CCCO)Cc1ccc(Cl)c(Cl)c1 89808087 WYYRXLRRGMTIAX-UHFFFAOYSA-N 378.259 3.895 0 40 GHAB Cc1cc(C)cc(-n2ccnc(SCC(=O)Nc3ccccc3F)c2=O)c1 4484254 WZQFSAWAWSRXTI-UHFFFAOYSA-N 383.448 3.719 0 40 GHAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@H]21)c1ccccc1 409371455 FYMNANGCMFQPQJ-VURPSTOHSA-N 385.419 3.780 0 40 GHAB CCOC(=O)c1cnn(-c2ncnc3scc(-c4ccc(C)cc4)c23)c1N 36646081 SANGGIJRXQIPDN-UHFFFAOYSA-N 379.445 3.611 0 40 GHAB CN1CCN(Cc2ccccc2F)C[C@H]1c1cn2c(N3CCCC3)cccc2n1 306142600 XEFLHLNWPOHOOC-NRFANRHFSA-N 393.510 3.562 0 40 GHAB CC(C)c1ccc([C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)c2cccs2)cc1 39995663 IEFTYRDKTBZEMG-WMZOPIPTSA-N 377.531 3.512 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2[C@@H](c3ccccc3F)n3ncnc3N[C@@H]2C)c(C)c1 36701641 QXTCRIZODONMLD-MDASCCDHSA-N 379.439 3.692 0 40 GHAB C[C@@H]1C[C@@H](N2CCCC2)CN1CC(=O)N(Cc1ccccc1)c1ccccc1 512182004 CSUVLRWWZVLYNX-NFBKMPQASA-N 377.532 3.778 0 40 GHAB S=C(NCCN1CCOCC1)c1ccccc1OCc1ccccc1Cl 408578366 XUGULYFGCBANEY-UHFFFAOYSA-N 390.936 3.516 0 40 GHAB O=C1Nc2ccccc2[C@@]12CC(O)=Nc1c2cnn1Cc1ccc(Cl)cc1 32101928 RPADBQRFNVMENN-HXUWFJFHSA-N 378.819 3.815 0 40 GHAB O=C(O)CC1(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CCCCC1 538576965 HUGNGWIRPKWPFZ-UHFFFAOYSA-N 399.466 3.655 0 40 GHAB Cc1cccc2c(C[C@H](C)NC(=O)c3ccc(CN4CCOCC4)cc3)c[nH]c12 72390300 MQWTWUIKHWZJOG-SFHVURJKSA-N 391.515 3.670 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OC)c(OC)c1OC 44948967 XMYZEDZTRLBUEY-KRWDZBQOSA-N 387.476 3.803 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 222921325 YPZNPGFYOZCJKO-HXUWFJFHSA-N 384.545 3.782 0 40 GHAB CCN(c1ccc(C(=O)N2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 224356021 PYCOXJQABQIZAU-UHFFFAOYSA-N 386.517 3.918 0 40 GHAB Cc1ccccc1C(=O)NC(=S)Nc1cc(C)c(O)c(Br)c1 226243560 PEVGOYICQOLQQF-UHFFFAOYSA-N 379.279 3.898 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc(CN2CCCC2)cc1 44873151 FHAOKRQUYABRAS-HXUWFJFHSA-N 382.504 3.765 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl 223239155 QHWCOZMZUYMZQE-SFHVURJKSA-N 394.849 3.714 0 40 GHAB CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 225882985 XVWNWLAXWDMPCI-IYBDPMFKSA-N 390.601 3.646 0 40 GHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(N2CCCCC2)cc1 224957543 CMQDDIYDKOVRSW-UHFFFAOYSA-N 387.505 3.609 0 40 GHAB COc1cccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)c1OC 49545524 LTRVOCGGYIELLY-HNNXBMFYSA-N 396.468 3.664 0 40 GHAB Cc1cc2nc(COc3ccc(NC(=O)C4CCCCC4)cc3)cc(=O)n2o1 41085667 WJTYSUPXTYGAAI-UHFFFAOYSA-N 381.432 3.694 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 225184159 IOIZSAKQJXPFMU-OAHLLOKOSA-N 390.936 3.737 0 40 GHAB Cc1cc(NC(=O)c2cnn(C)c2Cc2ccccc2)ccc1C(=O)NC(C)C 579195234 VBSPGAFAVPERFZ-UHFFFAOYSA-N 390.487 3.710 0 40 GHAB COc1cc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCOCC2)ccc1O 95478492 WRSNSSAIXFOPPP-MRXNPFEDSA-N 375.450 3.541 0 40 GHAB O=C1CCCCCN1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257202099 AKKQTRXIYPWJQZ-FQEVSTJZSA-N 395.503 3.722 0 40 GHAB O=C(CSCc1ccccc1)NCCn1nc(-c2ccccn2)cc1C1CC1 96121724 FREUZWKTUVTGGW-UHFFFAOYSA-N 392.528 3.872 0 40 GHAB Cc1noc(C)c1CCC(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 49524285 VADNAJMIZFAQIZ-KRWDZBQOSA-N 397.475 3.640 0 40 GHAB COc1ccc(Cn2cc(C(F)(F)F)ccc2=O)c(Br)c1OC 54899369 NYFXEFVWWJSLAH-UHFFFAOYSA-N 392.171 3.695 0 40 GHAB O=C(NO[C@H]1CCCCO1)c1ccc(Oc2cccc(Br)c2)nc1 62581592 JPLSCLGMPCJMHC-INIZCTEOSA-N 393.237 3.824 0 40 GHAB CC(C)c1ncc(Cl)c(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)n1 58407524 AFHUEHXLTUNVBM-QGZVFWFLSA-N 386.927 3.895 0 40 GHAB Cc1cccc(C)c1OCCNC(=O)CN1CCN(CC2CC2)c2ccccc21 1167950277 SQWBASFKBOFSRD-UHFFFAOYSA-N 393.531 3.535 0 40 GHAB Cc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 1251317486 PUKAGMFOWSBLCI-UHFFFAOYSA-N 385.316 3.813 0 40 GHAB CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=N)NC3=O)o2)ccc1Cl 5027421 JNTGOHNKMVCNGZ-ZSOIEALJSA-N 376.821 3.915 0 40 GHAB C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)C12CC3CC(CC(C3)C1)C2 5191536 GGXNGWJXWJUHJG-NSDYXAQKSA-N 379.504 3.577 0 40 GHAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1cc(Cl)ccc1Cl 5399619 CLQYXAPHKZUOFC-UHFFFAOYSA-N 392.217 3.995 0 40 GHAB COc1ccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc1 11715909 HQJKWOGIKJYUAC-GOSISDBHSA-N 382.504 3.765 0 40 GHAB COc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3c(c2)CCCC3)CC1 12292612 KPSSUYSJJISTBK-JOCHJYFZSA-N 381.516 3.591 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@H](C)C(=O)c1ccc(C)cc1)(C3)C2 13097465 MYRKKIZSNCQSRB-UKZWBSHYSA-N 383.488 3.585 0 40 GHAB Cc1nc(NC(=O)CSc2nc3ccccc3s2)nc2c1C(=O)C[C@@H](C)C2 13636227 IHKRELSOIYYLBM-JTQLQIEISA-N 398.513 3.891 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1Cn1nc(-c2ccc(F)cc2)oc1=O 14675955 QOWKAELYWZUZAR-UHFFFAOYSA-N 384.798 3.838 0 40 GHAB CCOc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OCC(N)=O 16688900 SVBRAIKKEFVHLZ-KRWDZBQOSA-N 390.439 3.577 0 40 GHAB CC(C)(C)c1ccc(C(=O)N2CCC[C@H](COc3ccccc3F)C2)c(=O)[nH]1 19084390 SFVJXLFBEGKNBH-HNNXBMFYSA-N 386.467 3.743 0 40 GHAB Cc1cc(C)n(CCc2nnc(NC(=O)c3cc(C)c4ccccc4n3)s2)n1 19660824 VDRDPABIDNNTBX-UHFFFAOYSA-N 392.488 3.703 0 40 GHAB CO[C@@H](C(=O)N(c1cc2c(cc1Cl)OCO2)C1CCCCC1)[C@@H]1CCOC1 622834089 ZFKHKJHNYQFFAP-BFUOFWGJSA-N 395.883 3.786 0 40 GHAB Cc1noc(C)c1COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 4524220 DHYSXHLZSDLXSF-UHFFFAOYSA-N 392.411 3.564 0 40 GHAB Cc1ccc(CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1 4148134 VTPQRKIGVOQOEN-UHFFFAOYSA-N 382.514 3.841 0 40 GHAB O=C(Nc1ccc2c(c1)nc1n2CCN(CCc2ccccc2)C1)c1ccco1 4626174 GEJHDZFVWYPZMN-UHFFFAOYSA-N 386.455 3.940 0 40 GHAB O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 8961244 CHPRJSAWUDMBFQ-UHFFFAOYSA-N 380.425 3.987 0 40 GHAB Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1C 23211945 OEUUHGYSQSRLRQ-FQEVSTJZSA-N 388.939 3.827 0 40 GHAB Cc1ccccc1CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2nncn2c1 49408510 PECZRXPBNDAJRL-UHFFFAOYSA-N 396.447 3.572 0 40 GHAB C[C@H](Oc1ccccc1F)C(=O)N1Cc2ccccc2[C@H](c2cnn(C)c2)C1 575619653 OHVGRUNLVMSWJS-KXBFYZLASA-N 379.435 3.501 0 40 GHAB COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)c2cccs2)c(C)c1 585146843 ZAYCRVOTMPXPHE-OAHLLOKOSA-N 377.487 3.769 0 40 GHAB COc1ccc2oc(C(=O)N3CC[C@H](Oc4cnc5ccccc5n4)C3)cc2c1 618255516 SAOBILMAGUKRRA-INIZCTEOSA-N 389.411 3.678 0 40 GHAB CC(C)[C@@H](NCc1ccc(F)cc1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769450 GWTUNJIXEYWSKI-JOCHJYFZSA-N 398.482 3.955 0 40 GHAB O=C(Oc1ccc(-n2cnnn2)cc1)c1csc(-c2ccc(Cl)cc2)n1 40005104 JQYVUNAOVARDCA-UHFFFAOYSA-N 383.820 3.658 0 40 GHAB CCOc1cccc(N2C(=O)C[C@H](SCc3nc4ccccc4[nH]3)C2=O)c1 100155485 IRKMZSDJPAMOKF-KRWDZBQOSA-N 381.457 3.527 0 40 GHAB O=c1c(NCCC(c2ccccc2)c2ccccc2)c(NCc2ccccn2)c1=O 101694453 DKBNFBBEJLYQDV-UHFFFAOYSA-N 397.478 3.924 0 40 GHAB C[C@H](NC(=S)NC(=O)c1ccccc1Br)[C@@H]1C[C@H]2CC[C@H]1C2 102193923 XZKFLFIUMSFQCP-MNXVOIDGSA-N 381.339 3.878 0 40 GHAB Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCCCC3)c(=O)[nH]c2c1 891689 PGSXKXHWWIHLQF-HXUWFJFHSA-N 392.507 3.513 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(OC)cc4)no3)C2)cc1 1362826 NFWOLEULEPYFJD-QGZVFWFLSA-N 393.443 3.774 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)CC)cc2c1 1366993 AYODVOVWDOLSNX-UHFFFAOYSA-N 378.472 3.908 0 40 GHAB Cc1ccc(NC(=O)N2CCN(C(=O)c3csc(-c4ccco4)n3)CC2)cc1 78879193 GBURSCUDARMSMR-UHFFFAOYSA-N 396.472 3.701 0 40 GHAB N=C1Nc2nc3ccccc3n2[C@H](c2ccc(OCc3cscn3)cc2)N1 32907220 GHDOULNYPPGLHV-QGZVFWFLSA-N 376.445 3.569 0 40 GHAB CC(C)c1ccc(S(=O)(=O)N(Cc2ccccn2)[C@H]2CCSC2)cc1 32935871 JCYKQDZECOEGCR-SFHVURJKSA-N 376.547 3.901 0 40 GHAB COc1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCC3)cc1OC 2966424 GHUGHVCXHTWQLC-OAQYLSRUSA-N 387.887 3.617 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 3376111 BMYIKEPIFXDDPI-GOSISDBHSA-N 382.366 3.764 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=S)NC)cc2c1 4134066 BTMYORKVTPASDU-UHFFFAOYSA-N 395.528 3.606 0 40 GHAB Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1S(=O)(=O)N1CCCCC1 7872225 PQRWLMOSFHFQIY-UHFFFAOYSA-N 380.554 3.580 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 7881418 KKXVDAMNERIHGF-HKUYNNGSSA-N 379.456 3.779 0 40 GHAB COC(=O)c1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1 670510 LODBNHMXXFQLMY-UHFFFAOYSA-N 378.222 3.562 0 40 GHAB CC(C)CNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccccc1F 12323324 SVJAMBVRCMMXQF-NDENLUEZSA-N 393.462 3.861 0 40 GHAB CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccccc2N2CCCCC2)CC1 57858390 HXKMFIKNMFKIHQ-UHFFFAOYSA-N 388.512 3.762 0 40 GHAB Cc1cccc(-n2cc(-c3ccccc3)c3c(NCCOCCO)ncnc32)c1 2974714 GYADUPCNGOZOPX-UHFFFAOYSA-N 388.471 3.817 0 40 GHAB Cc1ccc(C(=O)NCC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1 23055050 YKEPWXKDVNDGRS-QHCPKHFHSA-N 398.466 3.507 0 40 GHAB O=c1c2oc3ccccc3c2ncn1C[C@@H](O)COc1cccc2ccccc12 23401154 GDEMYGLLUWXSOY-MRXNPFEDSA-N 386.407 3.736 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1(c2ccc(F)cc2)CCC1 42684903 JUDPLAAISWAYTO-UHFFFAOYSA-N 383.391 3.882 0 40 GHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1OC[C@@H]1CCCO1 23613005 DRCXVJXUCVIQBJ-NRFANRHFSA-N 394.515 3.639 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 113956828 BPIZTNILBJJJFJ-CQSZACIVSA-N 378.469 3.742 0 40 GHAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cccc(-c2ccn[nH]2)c1 24882349 CGEMOCFTBPXFGW-UHFFFAOYSA-N 382.851 3.879 0 40 GHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)Cn1c(CC)nc2ccccc21 25275675 GEPPUGUURIUSMO-UHFFFAOYSA-N 393.447 3.681 0 40 GHAB Cc1nc(-c2ccccc2F)sc1C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101567553 OISDKKMMQPPMNW-BETUJISGSA-N 376.453 3.878 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 12521371 HOZMDKNNTLRIDG-GASCZTMLSA-N 390.480 3.745 0 40 GHAB Cc1cc(NC(=O)c2csc(-c3ccco3)n2)ccc1N1CCN(C)CC1 12539543 FNXNVDVRJQZPDZ-UHFFFAOYSA-N 382.489 3.716 0 40 GHAB CCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 20765897 XZNQPDNHNTUVEA-UHFFFAOYSA-N 386.517 3.666 0 40 GHAB O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)N1CCC(CO)CC1 57144785 INPCZUHEWGNYBD-KRWDZBQOSA-N 381.314 3.704 0 40 GHAB CC(C)(C)c1ccc2c(Cl)c(C(=O)N[C@H]3CCS(=O)(=O)C3)sc2c1 26688092 BANZNVHAXAPXHD-NSHDSACASA-N 385.938 3.769 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 3237209 GVJXUNJWICYAKE-CALCHBBNSA-N 378.538 3.573 0 40 GHAB COC(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2C)c(OC)c1 29297703 NVCJJWNGIMDYAQ-WEVVVXLNSA-N 389.835 3.861 0 40 GHAB COC(=O)c1cn(CC(=O)NCCc2ccc3ccccc3c2)c2ccccc12 27647515 JPUGMJUFLAOPHN-UHFFFAOYSA-N 386.451 3.940 0 40 GHAB COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)cc1Cl 20227875 KQIZBOMNCNIYPX-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB COc1ccc2[nH]c3c(NCCc4ccc(OC)c(OC)c4)ncnc3c2c1 2139816 QMQIRIAFXDQSNK-UHFFFAOYSA-N 378.432 3.792 0 40 GHAB biogenic CCN(CCNC[C@@H](O)COCc1ccc(Cl)cc1)c1cccc(C)c1 3354026 DRWPJBUUVULMQK-OAQYLSRUSA-N 376.928 3.642 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 10039292 QTGUFWBVPQENHF-NSHDSACASA-N 387.288 3.607 0 40 GHAB CC(C)(C)c1ccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1 10434106 XKRLIRMMHZXPJK-UHFFFAOYSA-N 392.565 3.757 0 40 GHAB Cc1cc(C)cc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 12771128 OYEDLSONFYWDSR-UHFFFAOYSA-N 381.501 3.982 0 40 GHAB COc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1OC 12776375 QDWKHDOKBFIUIS-SFHVURJKSA-N 388.895 3.924 0 40 GHAB COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CC[C@@H](C)C3 12787445 NSMGDTOKUHEGKF-LLVKDONJSA-N 392.546 3.963 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 59285706 WKLGJNSKKDICQZ-MRXNPFEDSA-N 375.490 3.825 0 40 GHAB O=c1c2ccccc2nc(S)n1CCCn1nc(C(F)(F)F)cc1C1CC1 2554067 CTVZZWIQSXBVFP-UHFFFAOYSA-N 394.422 3.868 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1cccc(C(F)(F)F)c1 3586367 SXQNABYWDOEOIT-UHFFFAOYSA-N 399.800 3.868 0 40 GHAB CCCCc1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)cc1 12902022 SYPSWYWMVDJERM-UHFFFAOYSA-N 391.471 3.703 0 40 GHAB biogenic CC(=O)c1c(C)[nH]c(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1C 12909006 QGGHCSNPTXERKL-UHFFFAOYSA-N 387.911 3.836 0 40 GHAB O=C(N[C@H](c1ccccc1)C1CC1)C1CCN(C(=O)OCC(F)(F)F)CC1 13019502 GCULVPZHJIBKQI-MRXNPFEDSA-N 384.398 3.665 0 40 GHAB CC[C@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NC(C)C 13724207 ZJWKDEMRLJPISO-KSSFIOAISA-N 398.532 3.756 0 40 GHAB O=S(=O)(c1ccc(-c2csc(N3CCCCC3)n2)cc1)N1CCCCC1 14183694 VJGBEQPMLBHFJU-UHFFFAOYSA-N 391.562 3.975 0 40 GHAB Cc1nc2ccc(C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)cc2nc1C 6590446 YUUCVOYNCLCKEV-UHFFFAOYSA-N 387.798 3.835 0 40 GHAB O=C(Oc1ccc(I)cc1)c1cncn1-c1ccccc1 6657606 SFNNVCRSYHNVDL-UHFFFAOYSA-N 390.180 3.696 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)cc1 5689780 JRYQVEDQBLZWBL-UHFFFAOYSA-N 375.472 3.950 0 40 GHAB Cc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)cc1 6752754 XHLRKWBOEQUBRN-ZHRRBRCNSA-N 389.455 3.815 0 40 GHAB O=C(c1cccc2c1OCO2)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66708296 YJFHLDKDYFJGMW-MRXNPFEDSA-N 380.227 3.936 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)NC(C)C)cc12 6902481 CTZXDOIMNCYATI-UHFFFAOYSA-N 391.880 3.730 0 40 GHAB Fc1ccc(CN2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 306131156 JXWQUYHXOSDJJK-OAQYLSRUSA-N 389.434 3.504 0 40 GHAB FC(F)Oc1ccc(C2=Nn3c(COc4ccccc4)nnc3SC2)cc1 4979281 IJDOHRWDKSBZGN-UHFFFAOYSA-N 388.399 3.817 0 40 GHAB COc1ccc(-c2noc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 15301260 HNXWSUWDWWBJKV-GOSISDBHSA-N 393.443 3.854 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(NC(=S)Nc2ccccc2F)ccc1C 7168368 AWIWBXSTYGAYDK-UHFFFAOYSA-N 395.525 3.974 0 40 GHAB C[C@@H]1Oc2ccc(-c3csc(NC(=O)c4cccs4)n3)cc2N(C)C1=O 19796689 QWLSRSWJJXMTLO-JTQLQIEISA-N 385.470 3.868 0 40 GHAB O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(Cl)c1Cl 7777293 QXZWIIXYHJAOBH-LBPRGKRZSA-N 386.304 3.806 0 40 GHAB C[C@@H](NC(=O)COC(=O)Cc1noc2ccccc12)c1ccc2c(c1)CCCC2 7865810 AKXQVLKCPIOXBT-OAHLLOKOSA-N 392.455 3.670 0 40 GHAB CNC(=O)c1sc(N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccco2)nc1C 7844379 CYZBRGOWNVZCBY-INIZCTEOSA-N 396.472 3.768 0 40 GHAB C[C@H](NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O)c1cccc2ccccc12 8274224 RHSYMGLYWFXIRJ-INIZCTEOSA-N 393.487 3.662 0 40 GHAB CCn1nccc1[C@H](C)NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 17079321 SZNBWZSPNJQDQK-HNNXBMFYSA-N 388.475 3.745 0 40 GHAB C[C@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NC1CCCC1 17275509 LDBFZSUOOONABY-ZDUSSCGKSA-N 383.517 3.666 0 40 GHAB Cc1ccc([C@@H](CNC(=O)CCOc2ccc(Cl)cc2)N2CCCC2)o1 72072603 NENCVYJJSSCATB-GOSISDBHSA-N 376.884 3.964 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)CN(c1ccccc1F)C1CCCC1 72308709 BJGUJOHPMRWTDN-UHFFFAOYSA-N 397.494 3.946 0 40 GHAB COc1cc(OC)c(C2=CCN(C(=O)c3cc(C4CC4)on3)CC2)c(OC)c1 25580633 WSSMBYOXUMVOMD-UHFFFAOYSA-N 384.432 3.507 0 40 GHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)C[C@H]1OCCc2ccsc21 95349319 YFIJJRNZPRKWFW-HXUWFJFHSA-N 395.528 3.995 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)o1 95961551 LKMQGHFCMLKZLB-CQSZACIVSA-N 396.896 3.597 0 40 GHAB COc1ccccc1[C@H](CNC(=O)Cc1c(F)cccc1Cl)N1CCCC1 22679851 VGPSAZCZTQRAPU-IBGZPJMESA-N 390.886 3.984 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1NC(C)=O 408558660 SLMXSBKTAFZSKL-UHFFFAOYSA-N 376.478 3.968 0 40 GHAB COc1cc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc(S(C)(=O)=O)c1 557676122 BWQLRVSIYUFISG-GDIGMMSISA-N 397.537 3.515 0 40 GHAB Cc1ccc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)s1 306135469 ORXZMWIGRJASHV-MOPGFXCFSA-N 398.557 3.704 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)NCc3ccc(OC(C)C)cc3)CC2=O)cc1 408708232 OSTGIERFHSAHNF-IBGZPJMESA-N 380.488 3.706 0 40 GHAB COc1ccc(CC(=O)Nc2c(C)nn(COc3cccc(F)c3)c2C)cc1 32609830 LHAGTGVKQKAZGP-UHFFFAOYSA-N 383.423 3.865 0 40 GHAB CCc1cc(N2CCC(CCCn3ccnc3)CC2)nc(-c2ccccn2)n1 541192111 ZKZWLTVMTYKIPP-UHFFFAOYSA-N 376.508 3.994 0 40 GHAB C[C@@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)Nc1nc2ccccc2s1 61984090 WANZVTORYNWACL-LBPRGKRZSA-N 396.497 3.856 0 40 GHAB COc1ccc(C2(CNC(=O)Cn3ccc4cc(C)ccc43)CCOCC2)cc1 72326139 MRIFNNLWXUJCQC-UHFFFAOYSA-N 392.499 3.823 0 40 GHAB biogenic CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 222997083 KZAJALHHWDKJAI-OAQYLSRUSA-N 382.504 3.544 0 40 GHAB CCCSc1ncc(Cl)c(C(=O)NCC(=O)Nc2ccc(CC)cc2)n1 46086043 XILRPYSVGPNHEU-UHFFFAOYSA-N 392.912 3.563 0 40 GHAB CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccc(OC)c(F)c2)c1 225117016 AUDLHXPEYXABQR-UHFFFAOYSA-N 395.452 3.535 0 40 GHAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223868901 QNYHKUUZUJJFRT-HZPDHXFCSA-N 389.517 3.858 0 40 GHAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2ccc(Cl)c(Cl)c2)c1=O 225969282 ORQIHCUWTWWZPQ-UHFFFAOYSA-N 397.258 3.945 0 40 GHAB CCOC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(SC)cc1 224974356 LMGFMRNGNXLGSN-UHFFFAOYSA-N 399.921 3.820 0 40 GHAB CNC(=O)C1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 575745350 HWAJZFCGWZJQAL-UHFFFAOYSA-N 393.793 3.665 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)ccc1Cl 223898101 CVEAASQRKKIGKP-UHFFFAOYSA-N 388.272 3.601 0 40 GHAB COc1ccc([C@]2(C)NC(=S)N(c3ccc(Br)cc3)N2)cc1 225346361 BNADJXIEIMENDQ-MRXNPFEDSA-N 378.295 3.530 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccccc1 223800222 RJSHXAHOIMAUSX-KRWDZBQOSA-N 386.467 3.538 0 40 GHAB O=C(c1ccc2ccccc2n1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211860 SDPLGVUPBJQZLI-UHFFFAOYSA-N 389.484 3.649 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@@H]1c1ccc(-c2c(C)noc2C)cn1 257261552 LHUVWZAFACQZPD-GOSISDBHSA-N 378.432 3.734 0 40 GHAB Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@H]2COc4ccccc4O2)C3)cs1 539032748 JJRPPMYRJZNDSA-QGZVFWFLSA-N 398.509 3.905 0 40 GHAB Cc1noc(CSc2ccc(C(=O)Oc3ccc4c(c3)CCC(=O)N4)cc2)n1 42887807 CJOYSQKAEQCKHA-UHFFFAOYSA-N 395.440 3.774 0 40 GHAB Cc1nc(-c2c(C)noc2C)cc([C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 257217560 CZMCTVDVXGOZPX-LJQANCHMSA-N 398.488 3.583 0 40 GHAB C[C@H](C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCC(=O)N1 624376512 UCRTTZBFIZEUMC-HZMBPMFUSA-N 397.422 3.606 0 40 GHAB O=C(NCc1ccnc(-c2ccccc2)c1)c1nnn(C2CC2)c1C(F)(F)F 629443387 GGUMPBHGRGDSEM-UHFFFAOYSA-N 387.365 3.624 0 40 GHAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3ccccc3SC(F)F)C2)c1F 390828497 RJSVUAYVGXOCEA-LLVKDONJSA-N 397.422 3.786 0 40 GHAB C[C@H]1CN(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CC[C@@H](C)O1 585100190 FTIHBURMEDZFAZ-SJORKVTESA-N 397.475 3.735 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 8062673 AALZVUWAWSJVPX-RUJXFNLJSA-N 387.501 3.986 0 40 GHAB COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N[C@@H]4CCCC[C@H]4C)ccc32)cc1 5001838 DYKAIVVXFKJHPW-DNVCBOLYSA-N 393.487 3.695 0 40 GHAB CC(C)c1ccc(N(C(=O)[C@@H](C)Oc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 5081099 FOEMJUWCYGOTSH-YLJYHZDGSA-N 399.512 3.921 0 40 GHAB Cc1cc2oc(C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)cc(=O)c2cc1C 12198451 QXPAQWIIQYRQPT-GOSISDBHSA-N 382.435 3.582 0 40 GHAB CCOc1ccc(-c2nc(N)nc(C)c2-c2ccc(OC)c(OC)c2)c(O)c1 13127192 HDZSINUHPAKULY-UHFFFAOYSA-N 381.432 3.823 0 40 GHAB Cc1nn(CC(=O)Nc2nc(-c3ccccc3)cs2)c(=S)n1-n1cccc1 16778221 XQZBYSKVUMKFJX-UHFFFAOYSA-N 396.501 3.598 0 40 GHAB Cc1scc(C(=O)N2CCO[C@H](c3nc(-c4cccs4)no3)C2)c1C 19561898 FQLVUTZDAQEUBT-ZDUSSCGKSA-N 375.475 3.690 0 40 GHAB COc1ccccc1OCc1cc([C@@H]2CCN(C(=O)Cc3ccccc3)C2)n[nH]1 19696183 MNTWNTDKYLBYGF-GOSISDBHSA-N 391.471 3.556 0 40 GHAB CC(C)Oc1ccc(CN2CC[C@@H]3NCCCCC[C@H]32)cc1Cn1cccn1 19712146 PMSPPWSMVCWJKW-FCHUYYIVSA-N 382.552 3.825 0 40 GHAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC(N4CCCC4)CC3)c2)n1 19718343 FDEHCFLJXBZBLX-UHFFFAOYSA-N 386.927 3.843 0 40 GHAB C[C@@H](Oc1ccccc1)c1nnc(NC(=O)c2ccc3c(c2)ncn3C)s1 19718413 JHZBVSSLXREODM-GFCCVEGCSA-N 379.445 3.817 0 40 GHAB COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)cc3)n3nnnc3n2)cc1 5320656 UZQMTWQNHJABOB-LQIBPGRFSA-N 385.427 3.877 0 40 GHAB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)CC1 6308167 PGVUEAURIGJZDA-XNTDXEJSSA-N 378.881 3.635 0 40 GHAB O=C(c1cc(C2CC2)ncn1)N1CCN(c2cccc(Cl)c2Cl)CC1 1888863753 IQTUJLXQSKOVGE-UHFFFAOYSA-N 377.275 3.623 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)Nc1ccccc1C(F)(F)F 31078757 QRVMQTIFPCYWST-SECBINFHSA-N 386.757 3.864 0 40 GHAB CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 33821682 QHRYYIWWVCYYGL-YSTOQKLRSA-N 378.497 3.733 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)cc1 4249107 JMOCFHJULGKRGQ-UHFFFAOYSA-N 399.497 3.659 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)CSc1ccc(-c2ccco2)nn1 4357819 HTQVNYVQPCIREH-UHFFFAOYSA-N 383.429 3.644 0 40 GHAB CNC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CCCCC2 5055794 XMJGXCAUULBDOX-UHFFFAOYSA-N 396.468 3.735 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)Cc2csc3ccccc23)cc1 575621011 NFKCOFXZRMEPQP-ZDUSSCGKSA-N 388.514 3.769 0 40 GHAB COc1ccc(Br)c(C(=O)NC[C@@](O)(c2cccs2)C2CC2)c1 77099501 VSVTXVTYZGCIQH-KRWDZBQOSA-N 396.306 3.547 0 40 GHAB CCCc1nnc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)s1 40130646 RGSACOLTFPDIBG-UHFFFAOYSA-N 391.447 3.753 0 40 GHAB Cc1ccc(CN(C)C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1 40129635 ZJESJTQVRMEFOG-UHFFFAOYSA-N 383.473 3.806 0 40 GHAB CC(C)(C)c1cc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)on1 31637543 HPJIZJYHCXXBNJ-UHFFFAOYSA-N 395.246 3.628 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N3)cc1 20727557 FQTOCEDEJDCEAM-INIZCTEOSA-N 395.850 3.737 0 40 GHAB O=C(Nc1cccnc1Cl)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 101879997 ZVSXGPZFLHYFCX-HUUCEWRRSA-N 383.835 3.667 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 29847148 XZFOYPYTZLCTQI-JOCHJYFZSA-N 391.492 3.878 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)c1 1379189 GMSAGKWNRYYRBV-UHFFFAOYSA-N 383.502 3.995 0 40 GHAB O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)Nc1cccc2c1CCCC2 79101014 CIPDGUBEVSNWQC-LJQANCHMSA-N 391.515 3.778 0 40 GHAB C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102844537 MDVCMNZZNKSUHU-LEWSCRJBSA-N 382.432 3.504 0 40 GHAB Cc1cc(OC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c2c(C)cc(=O)oc2c1 4046657 NRHSOZXQJXONIV-AWEZNQCLSA-N 387.432 3.715 0 40 GHAB biogenic C[C@@H](CC(=O)[C@H]1CC(c2ccccc2)=NO1)C(=O)[C@@H]1CC(c2ccccc2)=NO1 4826586 MHGINERDKHNSHR-ARBPTSGCSA-N 390.439 3.537 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=O)COc3ccc4ccccc4c3)oc2c1 6304990 LPCHYDLGHQQNTD-UHFFFAOYSA-N 375.384 3.957 0 40 GHAB COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 6552623 OLOXHIXSGQGWOJ-UHFFFAOYSA-N 395.267 3.958 0 40 GHAB Cc1nc(C2(NC(=O)/C=C/c3ccc4c(c3)OCCO4)CCCCCC2)no1 41839750 QZHKCAZRJDRAIT-VQHVLOKHSA-N 383.448 3.528 0 40 GHAB CCc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7669746 UPRYLDAFIIWINH-SFHVURJKSA-N 392.908 3.694 0 40 GHAB O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@@H](c2ccccc2O)O1 710014 RZQUKKIOXLJTJB-WMZHIEFXSA-N 391.423 3.943 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2C)cc1 10112547 YFHBGKGPLVYYRB-INIZCTEOSA-N 386.517 3.976 0 40 GHAB O=C(Nc1nc(CN2CCOCC2)cs1)c1cc2c(s1)CCCCCC2 22701356 YFYXWKHQMDHGDV-UHFFFAOYSA-N 391.562 3.948 0 40 GHAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 882206 WOZFYKDWYJSFNY-UHFFFAOYSA-N 379.441 3.967 0 40 GHAB CSCc1nnc(SCC(=O)c2ccc(NC(=O)CC(C)C)cc2)o1 24756193 MFAYFASDCCPEOA-UHFFFAOYSA-N 379.507 3.892 0 40 GHAB CC[C@@H](C)c1ccc(NC(=O)COc2ccccc2C(=O)N2CCOCC2)cc1 24984338 XRFLAGNOCRPVGE-QGZVFWFLSA-N 396.487 3.690 0 40 GHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102593361 GYOGOLMBCHDXQQ-SOJYOXCPSA-N 398.462 3.805 0 40 GHAB CC(C)(CNC(=O)N[C@@H]1CCOc2ccccc21)N1CCc2ccccc2C1 26163942 DAOHBCDXCIAOLT-HXUWFJFHSA-N 379.504 3.646 0 40 GHAB Cc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)n2)cc1 35318828 DSRFSOCPVPDEDT-MRXNPFEDSA-N 377.400 3.751 0 40 GHAB C[C@H]1CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3ccccc3F)C(=O)[C@@H]2C1 100637093 ICEKNDHOWRHIOW-SQWLQELKSA-N 381.403 3.971 0 40 GHAB CCc1ccc2oc(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc(=O)c2c1 28288447 LBDFHXWIUDJIFB-QGZVFWFLSA-N 396.512 3.984 0 40 GHAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccc(-n2cnnn2)c1 23682938 YDMRWGRUDXPDST-UHFFFAOYSA-N 388.865 3.753 0 40 GHAB O=C(COc1ccccc1Br)NCCCOCc1ccccc1 25183938 PGMKQHKOGZJMDY-UHFFFAOYSA-N 378.266 3.551 0 40 GHAB COc1ccc2nc(NC(=O)Cn3nc(C)c(Br)c3C)sc2c1 27981791 UCSGKTJZKALRRL-UHFFFAOYSA-N 395.282 3.519 0 40 GHAB C[C@H](Nc1ccccc1SCC(N)=O)C(=O)Nc1ccc(C(F)(F)F)cc1 12783090 LEDKDANMXBQOKL-NSHDSACASA-N 397.422 3.722 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)nc2ccccc2c1=O 12776227 XKQTWLZNOZWICQ-ZDUSSCGKSA-N 385.464 3.983 0 40 GHAB CCc1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1C1CC1 36612160 XLIMIJZEGYTGLU-UHFFFAOYSA-N 399.289 3.808 0 40 GHAB COC(=O)CCn1c(SCc2cc(C)cc(C)c2)nc2ccccc2c1=O 12793671 DVVWUNSDEBELOW-UHFFFAOYSA-N 382.485 3.869 0 40 GHAB Cc1ccc(-c2nnc(Cl)c3ccccc23)cc1S(=O)(=O)NC(C)C 2522298 HTIJJQITKOLAKQ-UHFFFAOYSA-N 375.881 3.945 0 40 GHAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 11851815 CJFMQNMBJBMYCT-UHFFFAOYSA-N 388.832 3.868 0 40 GHAB COc1ccc(-c2n[nH]cc2C(=O)N(C)Cc2nc3ccccc3s2)cc1 72307140 RNNPHKJZMUVKFX-UHFFFAOYSA-N 378.457 3.967 0 40 GHAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccc(C(F)(F)F)c1 12815209 IICJRQHFKADFQK-LLVKDONJSA-N 384.785 3.794 0 40 GHAB Cc1ccc(-c2noc(CN(CCN3CCOCC3)c3ccccc3)n2)cc1F 72308425 GRTVHAFOFFXSTO-UHFFFAOYSA-N 396.466 3.523 0 40 GHAB O=c1c2c(-c3ccc(F)cc3)csc2ncn1C[C@H](O)COc1ccccc1 12868213 BCOUMFOTUKQVGO-INIZCTEOSA-N 396.443 3.704 0 40 GHAB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc(-c2ccc(O)cc2)cc1 3484557 PXJKJQHHQFHQIA-UHFFFAOYSA-N 387.435 3.801 0 40 GHAB O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)NCc1ccco1 409007079 NJRVFUMEPPVCBX-UHFFFAOYSA-N 399.472 3.529 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(CC3CCCC3)n[nH]2)c1C 8752527 GASRIPWPDBBMNA-LBPRGKRZSA-N 390.509 3.632 0 40 GHAB COc1ccc(CC(=O)N(C)Cc2cc(Br)ccc2OC)cc1F 12993110 INCYYKDLLUWAMI-UHFFFAOYSA-N 396.256 3.807 0 40 GHAB CCn1c(S[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccncc1 12944131 PDDDXOIVIGZHRL-ZDUSSCGKSA-N 395.488 3.682 0 40 GHAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1-n1c(C)ccc1C 4038165 LKTXEQDQBVLYEW-UHFFFAOYSA-N 386.517 3.992 0 40 GHAB NC(=O)c1ccc(-c2nc(COC(=O)c3nccc4ccccc34)cs2)cc1 64732587 WWUZPNNJSIVLBM-UHFFFAOYSA-N 389.436 3.814 0 40 GHAB CN(C)c1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1 408959692 DHTYOTKACCITIZ-QNGOZBTKSA-N 386.455 3.636 0 40 GHAB O=C(NCC1CCCCC1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146898 CGWZDCRRTKTBJD-UHFFFAOYSA-N 390.480 3.937 0 40 GHAB Cn1c(CCN2CCCCC2)nc2cc(NC(=O)COc3ccccc3)ccc21 13815137 YWDLXGFCSIULBJ-UHFFFAOYSA-N 392.503 3.619 0 40 GHAB CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3cccnc3)ccc12 5205220 VNQOWRDDBZFOGY-OAHLLOKOSA-N 380.444 3.614 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1Cl 6328747 JBIVCNQIVBHHPV-CZUORRHYSA-N 386.945 3.679 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2NC1=O 14198640 JHWDPRLWJVLFAI-OAHLLOKOSA-N 379.460 3.644 0 40 GHAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1c1nnc2ccccn12 14187248 UKMYPOXVKKEYPV-CQSZACIVSA-N 397.287 3.562 0 40 GHAB C[C@H](c1ccc(F)cc1)n1c(CCn2ncc3ccccc3c2=O)n[nH]c1=S 4511361 FNYSWUGDFNCACH-CYBMUJFWSA-N 395.463 3.642 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1cccc(C)c1 4736464 QJHOXSXMICWHQH-LLVKDONJSA-N 388.522 3.553 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1cc(F)ccc1F 6947431 VBJZSEYATREUGU-UHFFFAOYSA-N 385.370 3.563 0 40 GHAB CCSCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(Cl)c1 4987090 AFIBFVYAHPWBIO-HNNXBMFYSA-N 378.885 3.517 0 40 GHAB Cc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)c(C)c1 9237864 QXVLGDFOWSQLOJ-ROUUACIJSA-N 379.489 3.601 0 40 GHAB CC(=O)N(Cc1ccccc1)c1ccc2c(c1)nc(Cn1nc(C)cc1C)n2C 9356283 YRDDXTNXLFNENM-UHFFFAOYSA-N 387.487 3.988 0 40 GHAB NS(=O)(=O)c1ccc(OCCSc2c(Cl)cccc2Cl)cc1 7400101 PXNRNKAKCMTSQC-UHFFFAOYSA-N 378.302 3.812 0 40 GHAB Cc1ccsc1CN(C)C(=O)CSc1nnc(NCc2ccco2)s1 7445539 IMIWUMHLYJUVAE-UHFFFAOYSA-N 394.547 3.864 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)NC3CCCC3)s2)cc1 7710594 HDHKBTBKSWMSHE-CYBMUJFWSA-N 388.489 3.731 0 40 GHAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1OC 7975097 MHPQQGSZXLMGQC-MRXNPFEDSA-N 382.460 3.648 0 40 GHAB COc1ccc([C@@H](C)NCc2nc3ccccc3c(=O)[nH]2)cc1Br 16694990 VYWAWXOKSVFEKC-LLVKDONJSA-N 388.265 3.545 0 40 GHAB Oc1ccccc1N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 8148737 XGPIMAGMAKFEFU-UHFFFAOYSA-N 383.455 3.724 0 40 GHAB Cc1ccnn1-c1ccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1 8278630 VFVDSQAWQCMMGR-UHFFFAOYSA-N 397.862 3.925 0 40 GHAB CCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(OCC)cc2)cc1 28184135 PCYFHGQAFCBSJQ-UHFFFAOYSA-N 388.489 3.794 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)Cc1csc(NC(=O)c2ccco2)n1 9819647 RRXRODCPGGPCLO-CQSZACIVSA-N 383.473 3.668 0 40 GHAB O=C(OCC1CCN(Cc2ccco2)CC1)c1cccc(NC(=O)C2CC2)c1 95444268 ZEUFGOVXSOSDKF-UHFFFAOYSA-N 382.460 3.697 0 40 GHAB O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 306124811 CAAXBWUSVDOEJC-NQIIRXRSSA-N 383.444 3.841 0 40 GHAB O=C1CCc2cc(OCC(=O)N(Cc3ccco3)Cc3cccs3)ccc2N1 24462200 QMGQYCMBOLHGDL-UHFFFAOYSA-N 396.468 3.834 0 40 GHAB Cc1nc(Cn2ccnc2[C@@H]2CN(c3ncccn3)Cc3ccccc32)cs1 306123966 BBQCWFQUTGURGB-LJQANCHMSA-N 388.500 3.638 0 40 GHAB Cc1ccc2sc(N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)nc2c1 1559054862 MSQAXZUGJZMULF-UHFFFAOYSA-N 394.544 3.982 0 40 GHAB O=C(N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1ccc(-n2ccnc2)nn1 523776366 HLQNRQIINGKUSG-LJQANCHMSA-N 397.438 3.583 0 40 GHAB CCCCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)c2ccccc2)c1 408556354 HZJRSUGUOQOUSL-UHFFFAOYSA-N 390.505 3.806 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@@H]2CCN(C(=O)c3coc(C)n3)C2)n1 72384501 XAQRADNNQRZIJX-CQSZACIVSA-N 382.395 3.643 0 40 GHAB CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@H](c3ccccc3)n3cccc3)nc21 62021929 YHRZGLJNJCTQQV-YJBOKZPZSA-N 395.484 3.766 0 40 GHAB COCc1nn2c(C)c(C(=O)Nc3cccc(C)c3)nnc2c1-c1ccccc1 39963882 OLSITARQCUZBDL-UHFFFAOYSA-N 387.443 3.807 0 40 GHAB Cc1ccc(N2CCC(C(=O)NCc3nc(-c4cccc(C)c4)no3)CC2)cc1 219865916 IROOPNGULYAQPV-UHFFFAOYSA-N 390.487 3.886 0 40 GHAB CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CC[S@](=O)C(C)(C)CC1 560584400 SKSIMPAJGMQSAU-MHZLTWQESA-N 388.537 3.896 0 40 GHAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(C(=O)C4CC4)CC3)c12 72336036 PVLACWAASFGRAP-UHFFFAOYSA-N 382.508 3.943 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1Cl)N(c1ccc(OC)cc1)S(C)(=O)=O 220636955 MXJURYRPUKOGPX-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB C[C@@H]1Cc2cc(C(=O)NCC(C)(C)C)ccc2N1S(=O)(=O)c1ccccc1 226090701 AYMOTFKASWCZFB-OAHLLOKOSA-N 386.517 3.602 0 40 GHAB COc1ccc(CCNC(=O)c2ccc(C)cc2I)cc1 225012515 RMKJMJPJSPBGNO-UHFFFAOYSA-N 395.240 3.581 0 40 GHAB CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220610892 WFOWEGGKMCJSLM-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB COc1cccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 224425388 AZBPOMGLIBYNPF-LJQANCHMSA-N 396.531 3.817 0 40 GHAB Cc1ccccc1-c1noc(CN(C)S(=O)(=O)Cc2ccc(Cl)cc2)n1 223629586 QGKWMNMGUCSBBY-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 223289081 GXUIZLFHBJZGDP-RUDMXATFSA-N 385.272 3.553 0 40 GHAB COc1ccc(O[C@@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224671528 ATAZBRXHXWIHHO-SFHVURJKSA-N 382.504 3.765 0 40 GHAB COc1ccc(OCCCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 224099726 MJTCVZMPYVEKGG-UHFFFAOYSA-N 383.488 3.719 0 40 GHAB C[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1 193902190 OZQKXZFAXNZPAV-JKSUJKDBSA-N 397.496 3.888 0 40 GHAB CCS(=O)(=O)[C@](C)(Br)[C@H](O)c1ccc(Cl)cc1Cl 96521410 PNUUCKDUJWXICH-MNOVXSKESA-N 376.099 3.573 0 40 GHAB COCCN(C)c1nc(C2CCN(CC3CC3)CC2)cc2c1ncn2C(C)C 96155661 LDSAKUNQIMHEPH-UHFFFAOYSA-N 385.556 3.684 0 40 GHAB O=C(c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1)N1CCCCO1 96037788 YFHYEDIXRKCPKP-UHFFFAOYSA-N 389.459 3.585 0 40 GHAB Cc1nccn1Cc1cccc(-c2noc([C@H](C)NC(=O)CC(C)(C)C)n2)c1 585084037 JMJIVSNLTNIXPS-AWEZNQCLSA-N 381.480 3.903 0 40 GHAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 257268095 MKENQQVBXYAOCX-MRXNPFEDSA-N 379.489 3.923 0 40 GHAB Cc1ccccc1-c1nc2sc(=Cc3c(Cl)cccc3Cl)c(=O)n2n1 254410685 JPOFMLSHJIVMQL-UHFFFAOYSA-N 388.279 3.981 0 40 GHAB CCc1cc(CNC(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2ccccc2Cl)on1 257298632 RMPGRVVYCQAWPU-APWZRJJASA-N 389.883 3.506 0 40 GHAB CCN(CC)C(=O)CN1CCO[C@@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 257314643 UXVWXAIGSVNLGO-HSZRJFAPSA-N 395.547 3.531 0 40 GHAB COc1cc(OC)c([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC 260756018 CWWOLTCZDYNEBW-ZUSMLRIVSA-N 385.489 3.697 0 40 GHAB Cc1cc(C)cc(N([C@H](C)C(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c1 260796011 QCSJIZLWXOVWGL-MRXNPFEDSA-N 382.570 3.789 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)c(F)c1 591389277 HWQNOYHHYPASTM-MRXNPFEDSA-N 388.508 3.738 0 40 GHAB CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C)n1cnnn1 604419706 VJVHJJHLVXOHJM-SNRMKQJTSA-N 395.511 3.555 0 40 GHAB O=C(NCCSC1CCCC1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 44114674 NZFQLGNAEJKCLH-QGZVFWFLSA-N 377.510 3.601 0 40 GHAB O=C(Nc1ncc(C2CCOCC2)s1)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 654105593 LPCDEJKPJVFXJE-YPMHNXCESA-N 393.431 3.659 0 40 GHAB O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccn(CCC(F)(F)F)n1 1263864774 NLTCWSDRHHTWOC-CYBMUJFWSA-N 396.196 3.606 0 40 GHAB O=C(c1ccncc1)N1CCC[C@@]2(CCCN2c2ncnc3ccccc23)CC1 585100028 CQQZSENNSDNQAR-HSZRJFAPSA-N 387.487 3.690 0 40 GHAB CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(-c3cnco3)cc2)cc1 54775358 XETCOTFIHFOCBO-UHFFFAOYSA-N 377.444 3.754 0 40 GHAB CCc1nc2cc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(C)=O)C3)ccc2o1 83830555 HUAKMRPPTXPUMO-GOSISDBHSA-N 376.416 3.553 0 40 GHAB COc1cc2cc(C3CCN(C(=O)CCc4ccno4)CC3)ncc2cc1C 12188081 COTAUGSTKMVTJT-UHFFFAOYSA-N 379.460 3.879 0 40 GHAB Cc1cccc(OCCCNC(=O)COc2ccc(Br)cc2)c1 12397617 NTMZWMPLNAWTIG-UHFFFAOYSA-N 378.266 3.722 0 40 GHAB Cc1nc(O)c2nsc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c2n1 13564080 HVWFEZCMMQVGOK-UHFFFAOYSA-N 392.440 3.932 0 40 GHAB C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)C1 13646168 ZBLFLTBYDHPSDO-HNNXBMFYSA-N 398.956 3.777 0 40 GHAB CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713084 XEYHWISJXRJTFH-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14397149 PXVATSOQBWVODH-MRXNPFEDSA-N 398.503 3.766 0 40 GHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 14400544 UIHADZVANHAIKV-KRWDZBQOSA-N 389.455 3.726 0 40 GHAB COc1ccccc1[C@@H](OC(=O)c1ccco1)C(=O)NCc1ccc(F)cc1 15935972 DGGQSTVWMWZKDR-LJQANCHMSA-N 383.375 3.642 0 40 GHAB CN1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccc3c(c1)CC(C)(C)O3)C2 19461747 LQCXFSSSFHKZID-NRFANRHFSA-N 392.547 3.905 0 40 GHAB Cc1oc2c(c1C(=O)N1CCCC[C@H]1c1ncc3c(n1)CCN(C)C3)CCCC2 19581246 MJEGLPCPLOKUGY-IBGZPJMESA-N 394.519 3.612 0 40 GHAB Cc1cc(C)n(CCc2nnc(NC(=O)C(C)(C)c3cccc(F)c3)s2)n1 19665847 QOVYMBSNHDEVGN-UHFFFAOYSA-N 387.484 3.650 0 40 GHAB Cc1ncc(C(=O)N2CCCCC[C@@H]3[C@@H]2C[C@@H](Cc2ccccc2)N3C)c(C)n1 19712889 WPJBATQPLLUUMW-MZYLBHOOSA-N 392.547 3.794 0 40 GHAB CCn1c(=O)n(CC)c2cc(CN[C@@H]3CCC[C@H]3Cc3cc(C)no3)ccc21 12366553 DFDARFNFEUKGEA-PKOBYXMFSA-N 382.508 3.640 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CC(C)(C)C)c1 4871825 UKRFCLZREONYTM-UHFFFAOYSA-N 395.569 3.692 0 40 GHAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc(F)c(F)c1F 4835209 ZXODCRCWDHJOPN-SNVBAGLBSA-N 378.379 3.804 0 40 GHAB O=C(NCc1ccccc1CN1CCOCC1)c1csc(-c2ccsc2)n1 23995593 MJSNFHRIZNXZKD-UHFFFAOYSA-N 399.541 3.634 0 40 GHAB CCn1nnc2cc(C(=O)N3CCN(Cc4cccc5ccccc45)CC3)ccc21 23935168 RGQSIHPEKLVEEB-UHFFFAOYSA-N 399.498 3.562 0 40 GHAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCn2c1nc1ccccc12 29377597 YKSIZMDLBSTTMY-UHFFFAOYSA-N 387.418 3.510 0 40 GHAB COC(=O)c1ccc(Cn2nc(-c3ccccc3)c3sc(C)nc3c2=O)cc1 8955058 JNCUMFZLYJHCKO-UHFFFAOYSA-N 391.452 3.663 0 40 GHAB O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccccc1SC(F)F 9570804 XZMFJXOPPMRTQG-UHFFFAOYSA-N 395.822 3.560 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(-c3cn4nc(OC)ccc4n3)cc2)cc1 11693472 IJUJIEPNSIMJGY-UHFFFAOYSA-N 388.427 3.595 0 40 GHAB CCc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccn3cnnc23)cc1 49404963 BFCMBOUFEDOHFH-UHFFFAOYSA-N 392.484 3.687 0 40 GHAB O=C(NCc1ccccn1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579466 PCMFSLJBMLMVLS-HMAPJEAMSA-N 396.450 3.650 0 40 GHAB Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)N(C)C)C3)n2)c(C)c1 40130268 MXJCVJDCWOVFOM-HNNXBMFYSA-N 386.521 3.759 0 40 GHAB O[C@H](CSc1ccccc1Cl)CN1CCN(c2ccccc2F)CC1 20385106 AJYMPTJHOJJOAX-HNNXBMFYSA-N 380.916 3.754 0 40 GHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2ccc(OC(F)F)cc2)C1 101996132 RQTUQBDUPWJPOW-VBKZILBWSA-N 381.419 3.872 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1N 1364513 BONNNNIBEAERLI-UHFFFAOYSA-N 381.505 3.895 0 40 GHAB C[C@@H]1CN(C(=O)c2cscn2)c2ccccc2N(Cc2ccccc2)C1=O 79025063 BMINPYHETCZEJE-OAHLLOKOSA-N 377.469 3.973 0 40 GHAB COC(=O)c1cc(NC(=O)CSc2ccc(Cl)cc2)cc(C(=O)OC)c1 3515019 SBMJEFJYQFJJPM-UHFFFAOYSA-N 393.848 3.644 0 40 GHAB CC[C@H](C(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1ccccc1 7156299 SKSMJSIJUQEPHQ-INIZCTEOSA-N 382.485 3.872 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 7651672 IGTCKLXBRJWAME-UHFFFAOYSA-N 387.288 3.804 0 40 GHAB CC(=O)N(C)c1ccc(NC(=O)COc2ccc(Br)cc2C)cc1 674981 KQRRHSCEUJDRTN-UHFFFAOYSA-N 391.265 3.758 0 40 GHAB CCOc1ccc(NC(=O)CSc2nccc(-c3cnn(CC)c3C)n2)cc1 2809360 OEDAEEBJJSXOPB-UHFFFAOYSA-N 397.504 3.798 0 40 GHAB CCOC(=O)c1c(/C=C/C(=O)Nc2ccc3c(c2)OCO3)c(C)n(CC)c1C 10236667 MFSWRMGKFMHXKX-CSKARUKUSA-N 384.432 3.682 0 40 GHAB CCOC(=O)c1c(NC(=S)NCc2cccnc2)sc2c1CC[C@H](C)C2 19797106 SBKYWVOOXYRQDK-LBPRGKRZSA-N 389.546 3.931 0 40 GHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)Cc2cnn(-c3ccccc3)c2)cc1 23345063 BKXPTFOWLMAPHD-INIZCTEOSA-N 378.428 3.628 0 40 GHAB COc1ccc2nc(CN3C[C@H]4CCC[C@H](C3)C4(O)c3cccnc3)ccc2c1 100148541 MTCQNXWQBVCNSH-WOJBJXKFSA-N 389.499 3.758 0 40 GHAB Cc1cc(=O)c(C(=O)NC2C3CC4CC(C3)CC2C4)nn1-c1ccccc1Cl 24104921 BMDHMIYRKLYNOF-UHFFFAOYSA-N 397.906 3.749 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2C)CC1 9062960 PYTFUXNCSWJAGK-UHFFFAOYSA-N 393.531 3.986 0 40 GHAB Cc1ccc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)c(Br)c1 1244356 XCCPZNAQHNNBMX-UHFFFAOYSA-N 387.233 3.567 0 40 GHAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3nnsc3Cl)c2n1 1404452 UIENUOBHULQQON-UHFFFAOYSA-N 385.880 3.741 0 40 GHAB O=C(NCc1ccnc(N2CCOCC2)c1)c1sc2ccccc2c1Cl 25290357 YLGJJXULKUJGSO-UHFFFAOYSA-N 387.892 3.716 0 40 GHAB COc1ccc2[nH]cc(C3CCN(C(=O)c4cccnc4N(C)C)CC3)c2c1 56322212 QRZSYSVZDLSPOR-UHFFFAOYSA-N 378.476 3.657 0 40 GHAB Cc1ccccc1-n1c(C)nn(CN2CCN(c3ccc(F)cc3)CC2)c1=S 56552646 GQPGNMOWLJCATD-UHFFFAOYSA-N 397.523 3.939 0 40 GHAB O=C(Nc1ccc(-n2ccnc2)nc1)c1nn(-c2ccccc2)c2c1CCCCC2 107853900 NWVOXNJOFHKVHQ-UHFFFAOYSA-N 398.470 3.974 0 40 GHAB COC(=O)c1cccc(NC(=O)CN[C@@H](c2ccc(F)cc2)c2cccs2)c1 57318510 MJRRHBGASMQEGZ-FQEVSTJZSA-N 398.459 3.992 0 40 GHAB O=C(O)c1ccccc1S[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 3308027 ISKZGTXVDQEWJU-WMZOPIPTSA-N 391.514 3.767 0 40 GHAB Cc1cc(=O)c(C(=O)N2CCCC[C@@H]2C)nn1-c1ccccc1C(F)(F)F 57882694 GUDNLIHEACENBG-LBPRGKRZSA-N 379.382 3.574 0 40 GHAB Cc1oc2cc3oc(=O)c(CC(=O)NCCCCCC(=O)O)c(C)c3cc2c1C 2148832 UCIXHMWSUJUCSV-UHFFFAOYSA-N 399.443 3.768 0 40 GHAB biogenic CC(C)Cc1nc2oc3c(NC[C@@H](C)O)ncnc3c2c2c1COC(C)(C)C2 2209963 NYPCSTJWJYZQKY-GFCCVEGCSA-N 384.480 3.614 0 40 GHAB Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1C1CCCCC1 2290441 KXJGSNRIOWOMFU-OAHLLOKOSA-N 393.491 3.581 0 40 GHAB CN(Cc1nccn1CC(F)(F)F)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 72304087 FQESARYJHTXQRL-QFBILLFUSA-N 377.410 3.698 0 40 GHAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccc(Br)cc23)cc1 2361114 NDJUAYAZRHVOLU-KRWDZBQOSA-N 389.274 3.642 0 40 GHAB COc1cc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc(OC)c1OC 11544273 CGGHXNIPGBTFDO-UHFFFAOYSA-N 384.436 3.599 0 40 GHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCc1cccc2cccnc12 12893468 AOICJXUNTKXBAQ-UHFFFAOYSA-N 382.847 3.561 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCC(C)CC2)c1 12809333 MNGOZBXTAVUWKM-UHFFFAOYSA-N 386.945 3.679 0 40 GHAB Cc1cccc(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)c1 12895128 QIORHPDRNHIKJS-UHFFFAOYSA-N 381.501 3.731 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1Br 17265606 MMWKEIVFJSTLBU-UHFFFAOYSA-N 392.249 3.870 0 40 GHAB CCCn1c(=O)n(CCC(=O)NCCc2ccc(Cl)cc2)c2ccccc21 17297840 USALJWLQRVZYTL-UHFFFAOYSA-N 385.895 3.615 0 40 GHAB COc1ccc(CNc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1OC 63773952 VCJXHXJAEFHTJV-UHFFFAOYSA-N 397.456 3.770 0 40 GHAB O=C(CSc1cccc[n+]1[O-])Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 84525565 OHPAZWWCNDMNRL-HNNXBMFYSA-N 397.525 3.780 0 40 GHAB O=C([C@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1)N1CCCCC1 8709354 LZMOFVVKQWCMDU-HSZRJFAPSA-N 391.515 3.657 0 40 GHAB Cc1ccccc1C(=O)N(c1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 4339974 LXKIUZOAZLLFMN-HNNXBMFYSA-N 377.893 3.791 0 40 GHAB COCCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc21 4484826 JEQCQPWJUPNIMV-CQSZACIVSA-N 387.480 3.791 0 40 GHAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1C1CC1 4468546 AYNGQDOLIDLHJZ-NRFANRHFSA-N 399.878 3.743 0 40 GHAB CCN(CC)c1ccc(NC(=O)N[C@@H]2CCOc3c(OC)cc(C)cc32)cn1 65578724 QYZKDBVXKAEGFH-QGZVFWFLSA-N 384.480 3.890 0 40 GHAB COc1ccccc1NC(=O)COc1ccccc1C(=O)NCc1ccccc1 6462609 OSQIMYMJHGEIJT-UHFFFAOYSA-N 390.439 3.643 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 14169081 QRTILNXYJMEWQI-HNNXBMFYSA-N 394.496 3.788 0 40 GHAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCCSc2ccccc21 14245614 DRHHNCQCRPVMRO-UHFFFAOYSA-N 383.441 3.826 0 40 GHAB CN(Cc1ccsc1)C(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 14335029 QSKGUMXBKKDEMH-SNAWJCMRSA-N 376.532 3.849 0 40 GHAB CCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c3c(c12)O[C@@H](C(C)(C)O)C3 14586047 TVYLJAPSHFFCMT-OAHLLOKOSA-N 388.460 3.754 0 40 GHAB endogenous,in-man CCOC(=O)c1c(NC(=O)CSc2ccccc2F)oc(C)c1C(C)=O 6653490 BDPCSKZZPRZPGN-UHFFFAOYSA-N 379.409 3.837 0 40 GHAB COc1cccc(-c2csc3ncc(C(=O)Nc4cccc(C)c4)c(=O)n23)c1 64787922 VWNIIOPLVGHKGI-UHFFFAOYSA-N 391.452 3.992 0 40 GHAB Cc1cccc(-n2c(C)nnc2S[C@H](C(=O)NC2CC2)c2ccccc2)c1 6980409 RPRZMNMEENEGLY-IBGZPJMESA-N 378.501 3.996 0 40 GHAB O=c1[nH]c(CSc2nnc(Nc3ccccc3F)s2)nc2ccccc12 5932502 HBTYZGZAFLUWGD-UHFFFAOYSA-N 385.449 3.950 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)cc1 15327579 PLLLWDBCGGLKLK-UHFFFAOYSA-N 396.511 3.720 0 40 GHAB Cc1nc([C@@H]2CCCCCN2C(=O)CCc2nc(-c3cccs3)no2)no1 96001181 DNBLOTRLAICLMA-ZDUSSCGKSA-N 387.465 3.566 0 40 GHAB O=C(CSc1nnc2n1CCCCC2)N(Cc1ccccc1)Cc1ccco1 7280709 KFRSNWCWKQYFCL-UHFFFAOYSA-N 396.516 3.919 0 40 GHAB COCc1ccccc1CNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccccc1 96006692 RFAFXQKOFVUDAP-HSZRJFAPSA-N 380.488 3.534 0 40 GHAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1coc(-c2cccs2)n1 16695246 JHEKQPDAWRANAM-INIZCTEOSA-N 392.440 3.548 0 40 GHAB COc1cccc(CNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1OC 71818556 VQTDIKLQIBTEAL-UHFFFAOYSA-N 377.506 3.724 0 40 GHAB Cc1ccc(-c2nc(CN(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)co2)c(C)c1 29976206 IXOCFEROHFVVLE-INIZCTEOSA-N 399.516 3.799 0 40 GHAB COCCNC(=S)c1cccc(OC)c1OCc1c(F)cccc1Cl 408577667 UETYHOGSWONGOV-UHFFFAOYSA-N 383.872 3.978 0 40 GHAB COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4cccc(F)c4)C2)OC3)c1 306130447 JGNWBHNDDDJTJZ-HSZRJFAPSA-N 393.462 3.873 0 40 GHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(C)s2)N2NC=NC2=N1 408628316 WRAYZEZDZNMBDW-INIZCTEOSA-N 385.880 3.882 0 40 GHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 408590427 GTOUTHHRFCUTNQ-UHFFFAOYSA-N 391.493 3.582 0 40 GHAB CN1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)C[C@@H]1c1nccn1C 548341538 YNWVLSYESLRLHI-CYBMUJFWSA-N 383.830 3.532 0 40 GHAB O=C(Nc1nccs1)c1ccc2c(=O)n(-c3cccc(Cl)c3)cnc2c1 31815430 JVAXEXPOZFDOAV-UHFFFAOYSA-N 382.832 3.748 0 40 GHAB Brc1ccccc1-c1ccc(CNCc2nnc3n2CCC3)cc1 509533608 RYXBPJLYVLECLZ-UHFFFAOYSA-N 383.293 3.944 0 40 GHAB Cc1nc2ccc(C(=O)O[C@@H](C)c3nc(-c4cccnc4)no3)cc2nc1C 32901638 SFILRVQABHLHCR-ZDUSSCGKSA-N 375.388 3.610 0 40 GHAB CCc1ccc(C(=O)COC(=O)COc2ccc(Br)cc2)cc1 32910262 HGDRBTFVBJXPLD-UHFFFAOYSA-N 377.234 3.816 0 40 GHAB CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945608 DJMDMZINMOGOLQ-LJQANCHMSA-N 387.499 3.834 0 40 GHAB Cc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 72362366 XVMPCJZFCWBQOQ-LJQANCHMSA-N 388.471 3.921 0 40 GHAB CCCOc1ccc(S(=O)(=O)N(CCCN(C)C)Cc2cccs2)cc1 48354735 RASREDTVOFEPOF-UHFFFAOYSA-N 396.578 3.680 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C 224658023 CMIOOEXYSIDWKU-IBGZPJMESA-N 382.504 3.626 0 40 GHAB O=C(NCCc1ccccc1)c1snnc1-c1ccc(Br)cc1 225782565 VCNDPEHGDBYTGM-UHFFFAOYSA-N 388.290 3.940 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 224775176 BMVRZJIRLOTDGH-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB Cc1c(NC(=O)N2C[C@@H](CO)[C@H](c3ccsc3)C2)cccc1-c1ncco1 574730401 VQPQVIQVXLKTNY-RDJZCZTQSA-N 383.473 3.951 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1 220793873 SSVQCNXUFZZDHX-INIZCTEOSA-N 392.459 3.544 0 40 GHAB CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc3ccccc3c2)cc1 225047954 ACIWNRWGFLJLPF-UHFFFAOYSA-N 399.468 3.607 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 222445976 LPADMADVBXTXLH-GOSISDBHSA-N 384.545 3.949 0 40 GHAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)c1 46086822 LYIYGGSQPOYPHY-UHFFFAOYSA-N 384.388 3.628 0 40 GHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 224281978 CAOWNWRCPWHLFD-SFHVURJKSA-N 384.495 3.948 0 40 GHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1cccnc1 222727111 CXKDLIMLVUYCOE-PMACEKPBSA-N 377.517 3.546 0 40 GHAB COc1ccccc1NC(=O)CCNC(=O)c1ccc2sc(Cl)nc2c1 225979952 ZNRMBIJWWJXNCE-UHFFFAOYSA-N 389.864 3.717 0 40 GHAB C[C@](O)(CNC(=O)c1ccc(-c2ccsc2)cc1)c1ccc2c(c1)OCO2 225618263 BSOHVQMEFGMYNP-NRFANRHFSA-N 381.453 3.781 0 40 GHAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)CC3CC3)CC2)Oc2ccccc21 96243282 RPCKGKVCKJDYOG-IBGZPJMESA-N 398.547 3.973 0 40 GHAB COc1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 97994288 ZCAHZWBGCNLVNH-XMHGGMMESA-N 387.399 3.579 0 40 GHAB O=c1[nH]cccc1[C@H]1SCC(O)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 95477805 ZQGVAPSUSDPRAT-MRXNPFEDSA-N 388.493 3.574 0 40 GHAB Cc1ccc(C)c([C@@H](O)CN2[C@H]3CC[C@H]2CC(O)(c2ccc4c(c2)OCO4)C3)c1 247838747 OOVCIYXDMCYYKP-ZJOUEHCJSA-N 395.499 3.580 0 40 GHAB Cc1noc(C)c1-c1cccc(C2CCN(C(=O)CC3CCOCC3)CC2)n1 257263567 LQPQGBSOOBTGOF-UHFFFAOYSA-N 383.492 3.876 0 40 GHAB COCCNC(=O)c1cc2c(c(OC)c1)O[C@@](C)(Cc1ccc(Cl)cc1)C2 257245725 IQVXINNEIDFTAJ-NRFANRHFSA-N 389.879 3.661 0 40 GHAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C 260927587 ZAHAJTIZRVCRBP-NSISKUIASA-N 384.549 3.671 0 40 GHAB COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCc1c[nH]c2ccccc12 604404030 IMPWXFOYKZILDH-NZQKXSOJSA-N 397.563 3.840 0 40 GHAB biogenic CN1CCc2cc([C@H](O)CNC(=O)Nc3ccc(C(F)(F)F)cc3)ccc21 96363118 YEJZUEKOUNUMGL-QGZVFWFLSA-N 379.382 3.553 0 40 GHAB O=C(/C=C/c1ccccc1)N1CCC[C@@H](Cc2c[nH]c(=Nc3ccccn3)cn2)C1 585293053 VOBCDZWXSKGAMZ-SGWGQVFISA-N 399.498 3.532 0 40 GHAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccccc3Cl)C[C@@H]12 72395798 PYFLQUBETOXFSV-KNQAVFIVSA-N 382.891 3.889 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@@H](O)C4)cc3)cc2c1 72396158 YNLWNMCFGPGBEA-HXUWFJFHSA-N 393.487 3.500 0 40 GHAB CCCOc1c(CNc2ccc(N3CCN(C)CC3)nc2)cccc1OCC 1655893835 KMPUNKCMBXDUEM-UHFFFAOYSA-N 384.524 3.633 0 40 GHAB CCOc1cc2c(cc1CNC(=O)[C@H]1Cc3cc(Cl)ccc3O1)O[C@@H](C)C2 12936274 SNIZZUFNYLODEK-FKIZINRSSA-N 387.863 3.682 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O 13711263 HGKUGRDDCBJPPO-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)C2CCCCC2)C1 19333481 PLFBLYUJZREJBU-XMMPIXPASA-N 391.515 3.575 0 40 GHAB O=C(Cc1ccccc1)N1CC[C@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19704905 AVZTVNXJNUVHMX-KRWDZBQOSA-N 379.435 3.686 0 40 GHAB O=C(Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2)C12CC3CC(CC(C3)C1)C2 4105954 PGCYHSFUYXCASG-GBULDLTMSA-N 395.528 3.790 0 40 GHAB O=C(Nc1nc(CC(=O)N2CCC(Cc3ccccc3)CC2)cs1)C1CC1 9815719 FTLFEZQXGBNUDG-UHFFFAOYSA-N 383.517 3.515 0 40 GHAB CCOc1ccc(C(=O)N[C@H](C(=O)NCc2cccc(Cl)c2)C(C)C)cc1 6647586 PDNZQNVKNXTZCH-IBGZPJMESA-N 388.895 3.810 0 40 GHAB CSc1ccc(C(=O)CSc2nnc(-c3ccco3)o2)cc1NC(C)=O 8848365 XHACBEIXMACMHU-UHFFFAOYSA-N 389.458 3.985 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@H](O)c1ccc(-n2cccn2)cc1 1888962476 OAOFZNFESAYXRK-IBGZPJMESA-N 399.878 3.533 0 40 GHAB O=S(=O)(c1ccc(NCCSc2ccc(Cl)cc2)nc1)N1CCCC1 26227173 IZGUBCASJWIWLH-UHFFFAOYSA-N 397.953 3.724 0 40 GHAB CCOc1cc(C(=O)Nc2nnc(-c3ccco3)o2)cc(OCC)c1OCC 4107316 XQUYBROZQODQFM-UHFFFAOYSA-N 387.392 3.778 0 40 GHAB O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)c1ccccc1 4358776 HEXWUMUUGTYHDN-UHFFFAOYSA-N 394.521 3.915 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O 5305222 LIOSGBZNDWUZKO-MGPUTAFESA-N 393.462 3.892 0 40 GHAB Cc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)n2nnnc2N3)c1 10336860 YZYBBNLLDYIWLR-FCHUYYIVSA-N 394.438 3.936 0 40 GHAB O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 11695251 JDVFMMZIFASQGW-UHFFFAOYSA-N 398.388 3.523 0 40 GHAB COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)C(C)C)n2)cc1OC 12442216 UUWZLLIAKIGJBC-UHFFFAOYSA-N 386.477 3.916 0 40 GHAB CCCCN(C)c1ccc2nnc(CCc3nc(-c4cccc(C)c4)no3)n2n1 23126466 ULLQZFHXLLKXEZ-UHFFFAOYSA-N 391.479 3.504 0 40 GHAB O=C(CCc1ccc(-c2ccccc2F)o1)NC[C@@H](O)COc1ccccc1 40089109 BJKPEAMYDVPTAK-MRXNPFEDSA-N 383.419 3.574 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 30835622 DPKBNMAGHPIXIJ-QGZVFWFLSA-N 378.428 3.856 0 40 GHAB COc1cc(OC)c(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)cc1Cl 20427373 GSBWDYRZJFGQIM-DJJJIMSYSA-N 388.851 3.515 0 40 GHAB Cc1ccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1S(=O)(=O)N1CCCCCC1 101404585 GKGSNFPWMNNZSY-QZTJIDSGSA-N 390.549 3.934 0 40 GHAB CC[C@H]1c2ccsc2CCN1C(=O)CCNC(=O)Nc1ccc(OC)cc1 32885664 POQIHPZZOXIREP-KRWDZBQOSA-N 387.505 3.804 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)C(=O)N(C)C3CCCCC3)cc2)n1 32910419 DVNYWSJXOSHYOT-QGZVFWFLSA-N 383.492 3.826 0 40 GHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 32913122 KVFBGLCNVCBVLE-DZGCQCFKSA-N 376.863 3.705 0 40 GHAB C[C@@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)N1CCc2ccccc2C1 2646573 XKJIEPUZGHBYNM-CYBMUJFWSA-N 375.827 3.538 0 40 GHAB O=C(OCCOc1ccc(Br)cc1)c1cc(=O)[nH]c2ccccc12 2632251 RKTJKHDJDBDBPT-UHFFFAOYSA-N 388.217 3.526 0 40 GHAB COc1ccc(C(=O)CSc2nnc(COc3cccc(OC)c3)o2)cc1 876062 LCSGHAJKSJIHBA-UHFFFAOYSA-N 386.429 3.641 0 40 GHAB CCc1cc(I)ccc1NC(=O)COc1ccccc1 1265036 CKWWAMCUESLERF-UHFFFAOYSA-N 381.213 3.871 0 40 GHAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CC2)cc1 1380154 UHKXZNYBCNWGRO-FQEVSTJZSA-N 382.460 3.693 0 40 GHAB O=c1c(-c2nc(C3CC3)no2)cccn1Cc1nc(-c2ccccc2Cl)no1 77100837 SJRCITWKRBHBDM-UHFFFAOYSA-N 395.806 3.527 0 40 GHAB COC(=O)c1ccc(NC(=O)CNc2ccc(Br)c(C)c2)cc1 21887144 ZPEXTFFMYCGJTF-UHFFFAOYSA-N 377.238 3.595 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc([S@@](C)=O)cc1 79024891 NCDNPEWWZFEVBB-BUBHHJDNSA-N 386.300 3.815 0 40 GHAB CC(=O)[C@@H]1C[C@@H](CC(=O)NC(=S)Nc2ccc(Br)cc2)C1(C)C 3101754 AJXAZWSGDCCIBF-FZMZJTMJSA-N 397.338 3.904 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)s2)cc1 4242895 OHARVUZJMHPVGS-UHFFFAOYSA-N 394.880 3.679 0 40 GHAB Cc1cc2cc(CN(C(=O)C3CC3)C3CCCCC3)c3nnnn3c2cc1C 4879876 ORKUWNGHIVQLMJ-UHFFFAOYSA-N 377.492 3.966 0 40 GHAB COCCN(C(=O)Cc1cccc(OC)c1)c1nnc(-c2cccc(C)c2)s1 4982548 IOCCXOJCAQGYGD-UHFFFAOYSA-N 397.500 3.744 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccnc1 4996672 GQFHVRSZJBRDDU-AWEZNQCLSA-N 395.488 3.682 0 40 GHAB O=C(Nc1ccc(SC(F)F)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 7598209 UYTWDAUEJFFCAL-AWEZNQCLSA-N 376.428 3.989 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)Cc2coc3c(C)c(C)ccc23)c1 8294457 LQGCGDGNKCVZFI-UHFFFAOYSA-N 380.444 3.698 0 40 GHAB O=C1N=C(O)[C@H]2[C@H]1[C@H](C(=O)c1cccs1)N1c3ccc(Cl)cc3C=C[C@H]21 8993356 RRKMLLGXBGFJBG-DMRZNYOFSA-N 384.844 3.598 0 40 GHAB C[C@@H](NC(=O)COc1ccc(NC(=O)c2ccco2)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101092399 RRRPKXRIEOGBQQ-YKTARERQSA-N 382.460 3.852 0 40 GHAB CCN(CC)CCn1/c(=N/C(=O)[C@@H]2C[C@@H]2c2ccccc2)[nH]c2ccccc21 28305559 SYSPJOSGUHVHJH-RTBURBONSA-N 376.504 3.542 0 40 GHAB CC[C@@H](C)c1ccc(NC(=O)CN(CC)Cc2nc3ccccc3c(=O)[nH]2)cc1 23508695 HGAJWFMIIHZMGR-MRXNPFEDSA-N 392.503 3.897 0 40 GHAB COc1ccc(C(=O)[C@@H](C)OC(=O)CCc2nc(-c3cccs3)no2)cc1 24204769 PTACFQPADATJAB-GFCCVEGCSA-N 386.429 3.554 0 40 GHAB CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(OC)c3)c2C)n1 28239401 AGEACYPKDMWSOI-UHFFFAOYSA-N 387.871 3.679 0 40 GHAB CC(C)N(C(=O)CNc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1 12521844 ATUXXNQNYXSIOB-UHFFFAOYSA-N 376.464 3.529 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 3212914 LKWXAYMDUVCMDZ-IAGOWNOFSA-N 386.517 3.630 0 40 GHAB Cc1cc2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)n2c2ccccc12 3264057 KAPOJLKKHGFCHV-UHFFFAOYSA-N 392.440 3.620 0 40 GHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)o1 107901783 SZCCIUQQBGGKEW-RIYZIHGNSA-N 377.805 3.956 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc4c(c3)CC(=O)N4)nnc12 100477056 FXRAXGSEVSJEBQ-ZSEKCTLFSA-N 394.500 3.516 0 40 GHAB CC(=O)Nc1ccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1 10137148 QHUDNIXDXNLVQO-LJQANCHMSA-N 385.533 3.910 0 40 GHAB Cc1cc(C)nc(SCC(=O)N(C)Cc2ccccc2Br)n1 27503638 PMPLEKRICLGTIA-UHFFFAOYSA-N 380.311 3.607 0 40 GHAB Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H]1CCCc2c1cnn2C(C)(C)C 58417442 PRZGJJMNKGUTRM-HNNXBMFYSA-N 379.455 3.583 0 40 GHAB COc1ccc2[nH]c3c(N4CCN(c5ccc(F)cc5)CC4)ncnc3c2c1 2295146 VRAHQOJRWWQUDS-UHFFFAOYSA-N 377.423 3.585 0 40 GHAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)c2cccc(C[S@](C)=O)c2)C1 36392074 RJAFZNCCZCFMOB-KWMCUTETSA-N 398.572 3.727 0 40 GHAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2cc(OC)c(O)c(OC)c2)cc1 36357259 SKFGLLLNCFDKNR-HNNXBMFYSA-N 395.415 3.727 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H](C)Oc1ccc(F)cc1 10902824 DWBTYRJSLKPUEQ-QGZVFWFLSA-N 381.451 3.771 0 40 GHAB O=C(Nc1ccc(Br)cc1)[C@H]1CCCN1c1ncnc2ccccc12 11246756 NSKJTMTZFSPMMI-QGZVFWFLSA-N 397.276 4.000 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCCN(c3cnccn3)C2)cc1 45714663 HXPTXMZAWDXTTI-FPOVZHCZSA-N 394.519 3.846 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 12746360 ZRRNAFAUSAENFD-LSDHHAIUSA-N 393.409 3.909 0 40 GHAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1ccc(Br)cc1 12798748 NQUFHJTYAKJLEL-CQSZACIVSA-N 384.320 3.965 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 12784220 JUBBWWIAZLGLKU-KRWDZBQOSA-N 391.471 3.648 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN2Cc2cc(=O)oc3cc(C)ccc23)cc1 48363594 WXZATYSMIMXQJE-HXUWFJFHSA-N 392.455 3.713 0 40 GHAB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)CCC1=O 408647441 JGKOMNDMDQDINL-QGZVFWFLSA-N 398.846 3.508 0 40 GHAB NS(=O)(=O)c1ccc(CNc2cc(C(F)(F)F)nc3ccccc23)cc1 12931625 NGXWSAUCDIARLL-UHFFFAOYSA-N 381.379 3.513 0 40 GHAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCCCC1 12973588 FZODQFYSHHQKJK-HNNXBMFYSA-N 389.348 3.857 0 40 GHAB CCN(CC(=O)Nc1cc(C)cc(C)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13071677 MRVSTZQAPZQKHC-UHFFFAOYSA-N 398.894 3.654 0 40 GHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCc1cccnc1 4000273 ALXOYMQWKXUBPE-UHFFFAOYSA-N 386.407 3.550 0 40 GHAB biogenic CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 5093737 SHNJNRDSCMXGBF-LJQANCHMSA-N 391.471 3.771 0 40 GHAB COc1cc2nc(NCCC(C)C)n3nc(-c4cccnc4)nc3c2cc1OC 5055241 MEKFYJUBBRNWDO-UHFFFAOYSA-N 392.463 3.815 0 40 GHAB O=C1c2ccccc2C(=O)N1CCCCSc1nc(-c2cccs2)n[nH]1 5017218 QUHZXYOFWKWMAA-UHFFFAOYSA-N 384.486 3.702 0 40 GHAB COC(=O)c1ccc(OC)c(CN(C(=S)NC2CC2)C2CCCCC2)c1 13961065 ZDEPWYSSFNAFHY-UHFFFAOYSA-N 376.522 3.653 0 40 GHAB CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)C1=O 409023775 PFPPHHQGNFGUMI-VZUCSPMQSA-N 390.244 3.902 0 40 GHAB CCN(C[C@H]1COc2ccccc2O1)C(=O)Cc1cccc(C(F)(F)F)c1 6589732 CPTNAQNOWBWAFZ-INIZCTEOSA-N 379.378 3.936 0 40 GHAB CC(C)(CO)NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 4844744 WVQIFMIIZRUFIN-AWEZNQCLSA-N 381.303 3.823 0 40 GHAB Cc1ccc(NS(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(C(C)C)c2)cc1 67245489 YKGUQHFTJZTFAA-UHFFFAOYSA-N 398.488 3.895 0 40 GHAB CCCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 9239041 DTJSPWVWNGEAQG-ROUUACIJSA-N 393.516 3.621 0 40 GHAB Cc1cccc([C@H](CN[C@@H](C)CCc2n[nH]c3ccccc23)N2CCOCC2)c1 96008166 TUAZMMGYCQYWLV-CYFREDJKSA-N 392.547 3.856 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)N[C@H](C)c3ccc(F)c(F)c3)CC2=O)cc1 8076341 MRPFYJJJXCQAHB-UKRRQHHQSA-N 388.414 3.594 0 40 GHAB Clc1ccc(COc2ccc(Cl)cc2CNCCN2CCOCC2)cc1 23263561 XSZQARMGZYOASU-UHFFFAOYSA-N 395.330 3.994 0 40 GHAB CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)S(=O)(=O)c1ccccc1 9431050 UGGBJQUKDICAKL-UHFFFAOYSA-N 384.501 3.828 0 40 GHAB COc1ccc2c(ccn2CCNC(=O)c2sc(-n3cccc3)nc2C)c1 72401618 MYOWVABYLOXEBJ-UHFFFAOYSA-N 380.473 3.636 0 40 GHAB O=C(Nc1cc(Cl)c(Cl)cn1)c1ccc(CS(=O)(=O)C(F)F)cc1 95965760 BSNJLLXHRGSIAZ-UHFFFAOYSA-N 395.214 3.778 0 40 GHAB CCn1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c(=O)c2ccccc21 22234503 NPBDSHBOAGAJQK-UHFFFAOYSA-N 386.835 3.944 0 40 GHAB Cc1cc(COc2nc3cc(Cl)ccc3n(Cc3ccccc3)c2=O)on1 28616704 ZVFVKJCQEWOFNF-UHFFFAOYSA-N 381.819 3.974 0 40 GHAB OC1(Cc2ccc(F)cc2)CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 548181267 PEFQKIYXISCQAH-UHFFFAOYSA-N 393.462 3.978 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1F 60487549 BNDOXKHIOWRAMN-UHFFFAOYSA-N 390.480 3.997 0 40 GHAB COc1cc(C(=S)N2CCN(C)CC2)ccc1OCc1ccc(Cl)cc1 408576619 QCCNZSQJTFCWOF-UHFFFAOYSA-N 390.936 3.851 0 40 GHAB COc1ccccc1OCC(=O)OCc1cc(-c2ccc3c(c2)C[C@@H](C)O3)on1 38757805 QYVHEXNNTREBFX-CQSZACIVSA-N 395.411 3.796 0 40 GHAB O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 32963786 RYQZXYVPZPVGBN-QGZVFWFLSA-N 388.870 3.690 0 40 GHAB Cc1nccn1Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 38857337 IQICEOQUOLGAPD-UHFFFAOYSA-N 394.906 3.856 0 40 GHAB COc1ccccc1CCCNC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 38772256 IHFZMIJJJYIELZ-OAHLLOKOSA-N 389.517 3.942 0 40 GHAB CCOc1cc2c(cc1[C@H]1[C@@H](c3ccccn3)N=C3S[C@@H](C)CN31)OCO2 222566970 IMKDNGBJKYEXHD-RQUSPXKASA-N 383.473 3.798 0 40 GHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1cccc(N2CCCC2=O)c1 224586781 OXYQUSRDGWOKJK-QGZVFWFLSA-N 392.499 3.776 0 40 GHAB Cc1cc2nc(COc3ccc(NC(=O)c4ccccc4C)cc3)cc(=O)n2o1 41085634 BAONQZDGXMVHTP-UHFFFAOYSA-N 389.411 3.736 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 223005392 WUFJXUPWEIDJLS-UHFFFAOYSA-N 377.506 3.956 0 40 GHAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)c1 225590240 ZIKHLBLRYZJNHZ-SFHVURJKSA-N 384.495 3.927 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 223680779 NEUHEKRXCVEFGZ-OAHLLOKOSA-N 388.961 3.747 0 40 GHAB COc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222739935 ZWDTWKAUTDBBLO-SFHVURJKSA-N 396.531 3.878 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 223504897 AAUKIUOPOHBZNF-GOSISDBHSA-N 384.545 3.782 0 40 GHAB CSc1ncc(-c2nnsc2C(=O)OCc2cccc(Cl)c2)cn1 223856446 ADKMVWYNZMDZRM-UHFFFAOYSA-N 378.866 3.727 0 40 GHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1nc(-c2cccs2)no1 224132914 DYUTZQHAJVDWPV-CYBMUJFWSA-N 383.473 3.761 0 40 GHAB O=C(c1ccccc1)C1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 40039022 JDNXTEIXJJFYOB-UHFFFAOYSA-N 376.456 3.549 0 40 GHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F 224315143 JGEJZXFWXSGRSZ-MRXNPFEDSA-N 388.458 3.697 0 40 GHAB CC(C)c1nc(Cc2ccc(NC(=O)c3ccc4c(c3)ncn4C)cc2)no1 225891525 MQZQROFVEAWRIQ-UHFFFAOYSA-N 375.432 3.923 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCCSc1ccccc1)CCCC2 225657295 FWZJURGDIFOJBZ-UHFFFAOYSA-N 377.531 3.645 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225736497 MOXHCHSDXOMYSK-KXKDPZRNSA-N 398.406 3.554 0 40 GHAB CN(c1ccc(CC(=O)NC2CCCCC2)cc1)S(=O)(=O)c1ccccc1 225980064 IOXIXADEQBAYHR-UHFFFAOYSA-N 386.517 3.503 0 40 GHAB O=C(C[C@@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21)N1CCOCC1 96052793 CORUXRWWKZHZSR-LJQANCHMSA-N 394.515 3.550 0 40 GHAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)C3CCCCC3)CC2)Oc2ccccc21 96242945 WNPUVSURROIPIJ-LJQANCHMSA-N 398.547 3.973 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 244385721 YDTLAMPWIDQMHN-UHFFFAOYSA-N 394.924 3.870 0 40 GHAB CN([C@H](c1ccccc1)c1ccccn1)S(=O)(=O)c1ccc(F)c(F)c1F 42746350 KOWLQERUQJNXHY-LJQANCHMSA-N 392.402 3.909 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)n1 257227716 FQPDTRDJIKFRPR-UAPYVXQJSA-N 387.487 3.946 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cn1 257296766 REHUOZRYRWLDQD-GOSISDBHSA-N 382.851 3.995 0 40 GHAB CCOc1ccc([C@H]2[C@H](C(=O)NCc3ccc(F)cc3)CCC(=O)N2CC)cc1 257337562 YTHZKWLZFUIQLH-IRLDBZIGSA-N 398.478 3.840 0 40 GHAB O=C(c1ccncn1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257286662 PMLGSWNOGJLITB-OAHLLOKOSA-N 382.851 3.729 0 40 GHAB O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 626363527 XWSSOWIRZZGDPG-BOUXLOLZSA-N 388.414 3.921 0 40 GHAB COc1cnc(OC2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)nc1 1202164179 LUMZNIJZLCBJJX-UHFFFAOYSA-N 396.369 3.579 0 40 GHAB COc1cc(NC(=O)COC(=O)CCc2ccsc2)c(OC)cc1Cl 11000022 FYLSCWQBBQCHJT-UHFFFAOYSA-N 383.853 3.533 0 40 GHAB C[C@H](CO)NC(=O)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 12220751 BTGMNJSEFZGXSG-QGZVFWFLSA-N 393.483 3.936 0 40 GHAB CCc1ccc(C(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 12928532 XDACQXGCJKUBEQ-UHFFFAOYSA-N 378.394 3.813 0 40 GHAB Cc1ccc(N2C(=O)/C(=C\Nc3nncs3)c3ccccc3C2=O)cc1C 15211188 IFCHKXNIFSQHQP-YVLHZVERSA-N 376.441 3.795 0 40 GHAB O=C(NCc1noc(-c2ccc(Cl)cc2)n1)c1n[nH]c2c1CCCCCC2 19336946 NKZDXKPBPQWHJB-UHFFFAOYSA-N 385.855 3.702 0 40 GHAB O=C(Cc1ccsc1)NCCn1c(C(F)(F)F)cc(=O)c2cccc(F)c21 19345093 CKMFSMYIYJDGHV-UHFFFAOYSA-N 398.381 3.580 0 40 GHAB CC(C)[C@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1ccc(F)cc1 19445749 ZPNZLJYCWHFOIQ-VGUSGMIYSA-N 397.498 3.621 0 40 GHAB COc1cccc(-c2ccc(CN3CCC(N(C)CCN(C)C)CC3)cc2)c1 19582444 PYPSAWDPJOHZFY-UHFFFAOYSA-N 381.564 3.820 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c2c(C)noc2n1 19715825 AGKQSKNNTFYGHU-KRWDZBQOSA-N 393.443 3.978 0 40 GHAB COc1ccc(-c2nc(C(=O)N[C@H](C)Cc3c(C)nn(C)c3C)cs2)cc1 19717293 DITDIZGLEPQWJA-GFCCVEGCSA-N 384.505 3.530 0 40 GHAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCCN2CC2CC2)cc1 19766514 BVQYLCOSIRGZKM-NRFANRHFSA-N 394.519 3.661 0 40 GHAB COc1cc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc(OC)c1 2758869 OZMYCGMPTAVXBP-ZHZULCJRSA-N 392.411 3.706 0 40 GHAB O=C(NCC1CCN([C@H]2CCSC2)CC1)c1ccc(OC(F)(F)F)cc1 225571881 SEHPAIQKVZJNNY-HNNXBMFYSA-N 388.455 3.533 0 40 GHAB COc1ccc(/C=C/C(=O)NCc2ccnc(OC3CCCC3)c2)c(OC)c1 28352234 FTHIDJSYQCBYIJ-CSKARUKUSA-N 382.460 3.750 0 40 GHAB O=S(=O)(CCc1ccccc1)N1CCC(Oc2cccc3cccnc23)CC1 238955695 XXVIPNJBCPDLHI-UHFFFAOYSA-N 396.512 3.651 0 40 GHAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 707263 JDISKVMLRXGPOM-BWWMBTDCSA-N 395.414 3.812 0 40 GHAB COc1cc(OC)cc(C(=O)NC[C@H](c2cccc3ccccc23)N(C)C)c1 10330390 KMQWVMYNDXHMEQ-JOCHJYFZSA-N 378.472 3.890 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)cc1 11612888 SYOKDXOHXGSCDM-KRWDZBQOSA-N 394.443 3.537 0 40 GHAB Cc1cc(C)nc(Nc2nc(C(=O)NCCc3c[nH]c4ccccc34)cs2)n1 49032291 JZOGVDNAQXYWMO-UHFFFAOYSA-N 392.488 3.747 0 40 GHAB Cn1cc([C@H]2CN(C(=O)CSc3ccc(F)cc3)Cc3ccccc32)cn1 575621141 YDVZPJAYTYYPJP-HXUWFJFHSA-N 381.476 3.826 0 40 GHAB Cc1c(C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)oc2ccccc12 19566192 GEJUCXDSRJCMPT-SFHVURJKSA-N 376.460 3.544 0 40 GHAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 40080261 LUSIMTXXIGVJIJ-IBGZPJMESA-N 377.492 3.631 0 40 GHAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc2nc3n(c(=O)c2c1)CCC3 40050011 HGNOGKHEPITBNO-UHFFFAOYSA-N 388.254 3.831 0 40 GHAB O=C(NC1CC1)[C@H]1CCCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 50728082 IQOJCGPSOSXGPV-NSHDSACASA-N 377.897 3.527 0 40 GHAB COc1ccc(C2=C[C@H](c3c(F)cccc3Cl)n3nnnc3N2)cc1OC 101025114 YPGJRURARSFCSQ-CQSZACIVSA-N 387.802 3.539 0 40 GHAB CSCC[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 101402576 SVYSPZUKCFADHJ-HRCADAONSA-N 394.924 3.575 0 40 GHAB C[C@H]1[C@@H](OC(=O)CSCc2cc(=O)n3ccsc3n2)C[C@H]2C[C@H]1C2(C)C 102186223 WUWICFSMIDTBGR-GBOPCIDUSA-N 392.546 3.603 0 40 GHAB Cc1nn(CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c(=O)c2ccccc12 32753970 WARHAQJPURPBLC-OAHLLOKOSA-N 375.428 3.671 0 40 GHAB O=C(NCc1ccc(Cn2cncn2)cc1)C1c2ccccc2Oc2ccccc21 32868946 FFRAGDLCBNPBTD-UHFFFAOYSA-N 396.450 3.880 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)NCCSCc2ccccc2F)c1C 17604253 IQMXAKSZIHIRII-UHFFFAOYSA-N 378.469 3.611 0 40 GHAB O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(F)(F)F)c1 2646461 YFQAKEJZJFOMGC-CYBMUJFWSA-N 385.411 3.518 0 40 GHAB C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccccc2F)C1=O 2631161 XGBFNXFYQLZQGH-QGZVFWFLSA-N 377.213 3.555 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2ccc(COc3ccccc3)o2)N(C)C)cc1 32960883 RJFKKJHZWMDFAO-OAQYLSRUSA-N 394.471 3.900 0 40 GHAB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)cc1 917646 SFBADVBOCKMATC-UHFFFAOYSA-N 381.505 3.775 0 40 GHAB Cc1ccc(-c2nn(CC(=O)NCC(F)(F)F)cc2Br)cc1C 79107700 JEXSYWFHVDMYMB-UHFFFAOYSA-N 390.203 3.608 0 40 GHAB Cc1ccc(-c2cc(C(F)(F)F)nc(S[C@@H]3CC(=O)[C@H]4OC[C@H]3O4)n2)cc1 102998747 VHSVBFVUAMIUAE-FMKPAKJESA-N 396.390 3.646 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)n1 4512938 XIHZFXUSINJCRW-MISXGVKJSA-N 392.912 3.531 0 40 GHAB Cc1c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)oc2ccc(F)cc12 22285017 OASXKAKXPCFTLA-MRXNPFEDSA-N 388.464 3.745 0 40 GHAB CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2c(C)cc(C)cc2C)c1 6680436 QFMKSUGUJUTCNM-UHFFFAOYSA-N 380.535 3.956 0 40 GHAB CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1OCC(=O)O 6964974 DEPYESUQPXCTKA-BOPFTXTBSA-N 394.427 3.711 0 40 GHAB CCOc1ccc(NC(=O)COc2ccc(I)cc2)cc1 7034784 MVTBXBBCONVEPH-UHFFFAOYSA-N 397.212 3.707 0 40 GHAB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1)C(=O)c1ccccc1 7881636 FTEUXXNTOLQLIS-RTBURBONSA-N 379.456 3.861 0 40 GHAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)cc(Cl)c1 12171337 XLOAXIIWTHYGKP-UHFFFAOYSA-N 385.272 3.786 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccc(F)cc2)cc1 972214 PZLATCQFBWPHES-UHFFFAOYSA-N 398.459 3.968 0 40 GHAB Cc1ccccc1CN1CCN(C(=O)CCc2nc3ccccc3s2)CC1 23638596 MUBALTOUQOWQRA-UHFFFAOYSA-N 379.529 3.882 0 40 GHAB C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Br 1102562 JJBVFUCAGIZBFR-SECBINFHSA-N 397.132 3.775 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)CCCC2 24345499 VDCWIBCGCJZOSS-INIZCTEOSA-N 398.528 3.732 0 40 GHAB COc1cc(C)c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1OC 24358165 VGMZRLIGIACZEJ-UHFFFAOYSA-N 391.367 3.712 0 40 GHAB Cc1ccsc1CN(C)C(=O)CSc1nnc(C)n1Cc1ccccc1 47532255 RHTBAKZQPKRCFM-UHFFFAOYSA-N 386.546 3.755 0 40 GHAB Cc1ccc2c(c1)CCCN2C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 24860943 IHLUHUSPTXSERO-UHFFFAOYSA-N 389.503 3.726 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCC[C@@H]1C1CCCCC1 47734728 FSQNOUVCMCNUME-HXUWFJFHSA-N 380.492 3.868 0 40 GHAB CC1=C[C@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N2c2ccccc21 102801638 URWWPGYCVYYYMF-RDGPPVDQSA-N 394.515 3.676 0 40 GHAB CN(C)C(=O)[C@@H](Sc1nc2cc(Br)cnc2[nH]1)c1ccccc1 12525262 FKFKIMWUUZKHJB-ZDUSSCGKSA-N 391.294 3.642 0 40 GHAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(C(N)=O)cc3)n2)cc1 27749607 DGYMJWGZFWWWLS-UHFFFAOYSA-N 378.432 3.530 0 40 GHAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(N2CCCCCC2)cc1 57296710 FBYDLJRQSLMUHG-UHFFFAOYSA-N 392.547 3.828 0 40 GHAB COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1 57486575 FTZYGFAAWGVIME-UHFFFAOYSA-N 392.390 3.992 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21 100124645 ORISSLNKJICDTB-ULDVDPKYSA-N 391.467 3.933 0 40 GHAB CCCc1cc(=O)oc2cc(OC(=O)CNC(=O)OCc3ccccc3)ccc12 2092972 BQCNSKODQHXEQT-UHFFFAOYSA-N 395.411 3.577 0 40 GHAB biogenic O=C(O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 20061327 PWEJMESHNDXZBK-UHFFFAOYSA-N 394.663 3.927 0 40 GHAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(OCc2ccccc2)cc1 12695243 SFZSSRXTQIRKDP-UHFFFAOYSA-N 385.427 3.558 0 40 GHAB COc1cc(-c2ccccc2)sc1C(=O)N[C@H]1CCCN(c2ncccn2)C1 54017623 JADGNHGVCXWERT-INIZCTEOSA-N 394.500 3.613 0 40 GHAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN=C1c1ccccc1 27822749 CRORTBXMFLOOBB-UHFFFAOYSA-N 392.908 3.888 0 40 GHAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(Br)c[nH]1 58349813 AYXJLVGBINJWPA-UHFFFAOYSA-N 396.716 3.825 0 40 GHAB O=C(CCn1cc(Br)cn1)Nc1ccccc1C(=O)c1ccccc1 27968924 QJXDJLWVKLOTNG-UHFFFAOYSA-N 398.260 3.905 0 40 GHAB COc1ccc(CCNC(=O)[C@@H](C)N2CCC[C@@H]2c2ccsc2)cc1OC 48276849 VWRYVJUQGLGPGK-CRAIPNDOSA-N 388.533 3.650 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc1 2366194 RYTQUEWIKNAHPJ-UHFFFAOYSA-N 387.896 3.606 0 40 GHAB Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc1 28614057 AGAKJXUZIYFJRY-UHFFFAOYSA-N 392.249 3.627 0 40 GHAB COC(=O)c1cccc(OCCn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 60086159 UJKOUWBXOXUJGS-UHFFFAOYSA-N 393.226 3.569 0 40 GHAB COc1cc(OC)c(N[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1Cl 12805667 WCJOWKSWQAYHEV-NSHDSACASA-N 376.840 3.999 0 40 GHAB Cc1sc2nc(SCC(=O)NC(C)C)n(C3CCCC3)c(=O)c2c1C 12980760 IRCFVEBUVLZGKP-UHFFFAOYSA-N 379.551 3.807 0 40 GHAB O=C(c1cc2ccccc2o1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 13007751 IJTVCQZSSKYRQN-UHFFFAOYSA-N 394.456 3.502 0 40 GHAB NC(=O)c1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)nc1 63475058 PYRMTGMGYYXLBL-UHFFFAOYSA-N 392.362 3.575 0 40 GHAB Cc1c(NC(=O)[C@H](C)Sc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 8756731 GVBSDFWRCPREHA-AWEZNQCLSA-N 385.464 3.743 0 40 GHAB CCN(C(=O)Oc1ccccc1)c1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1 4016953 YDSQXYUHHFTNQE-GOSISDBHSA-N 397.349 3.635 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1 409184670 ZBDPBURESBUZQD-UHFFFAOYSA-N 379.368 3.563 0 40 GHAB Cc1ccc2oc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc(=O)c2c1 5346840 IJCVHUSHARYGRV-UHFFFAOYSA-N 382.847 3.717 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2cc(Br)ccc2F)N(C)C)cc1 14165163 MBRNPPGODOUXAT-QGZVFWFLSA-N 395.272 3.630 0 40 GHAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)cc1 4549559 AYETVAZPPAPIGW-UHFFFAOYSA-N 392.864 3.954 0 40 GHAB Cc1ccc([C@@](O)(CC(=O)N(C)Cc2nc3ccccc3s2)C(F)(F)F)o1 14241805 XZDDIYGWQIXYJS-KRWDZBQOSA-N 398.406 3.996 0 40 GHAB Cc1c(COC(=O)c2cccc(S(C)(=O)=O)c2)noc1-c1ccc(F)cc1 14230063 HOBMZBKGFNYLBA-UHFFFAOYSA-N 389.404 3.550 0 40 GHAB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1-c1nccs1 6549540 BHKDRILWSOVHLR-UHFFFAOYSA-N 380.429 3.862 0 40 GHAB COC(=O)c1c(CC(=O)OCc2cccc3ccccc23)[nH]c(C(C)=O)c1C 6590220 FZFPYUBOPIHCRY-UHFFFAOYSA-N 379.412 3.751 0 40 GHAB O=C(COc1ccc(Cl)cc1)NC(=S)Nc1cc(C(=O)O)ccc1Cl 4662513 AEHIGVQOTQRMBK-UHFFFAOYSA-N 399.255 3.584 0 40 GHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 14574396 SWVNAMXPPKEIKR-LLVKDONJSA-N 394.328 3.831 0 40 GHAB CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c(C)c1 66347414 QEUFWIFJLNGTBO-INIZCTEOSA-N 398.482 3.532 0 40 GHAB Cc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl 6868489 WRTABFILAJIRAM-UHFFFAOYSA-N 383.231 3.566 0 40 GHAB Cc1ccc(CN(C)C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)o1 7328945 FKUNPXGEYFTZNE-UHFFFAOYSA-N 396.516 3.856 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc21 15867598 VSUHTEVNFDGJMQ-UHFFFAOYSA-N 391.537 3.866 0 40 GHAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1 8074545 VJKDQICIVOFXMJ-UHFFFAOYSA-N 397.862 3.611 0 40 GHAB Cc1occc1C(=O)Nn1c(=S)[nH]c2sc(Cc3ccccc3)cc2c1=O 17081296 DWEJCVCEXJZACY-UHFFFAOYSA-N 397.481 3.997 0 40 GHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2C)C1=O 409075039 WZNREDVKKFBMCU-SWEABUAFSA-N 384.457 3.692 0 40 GHAB O=C(CC1CCCC1)N1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 71821481 GHYIJJDJHQZIAU-IAGOWNOFSA-N 388.474 3.996 0 40 GHAB O=C(COc1ccccc1Br)Nc1cccc(N2CCCC2=O)c1 9656922 BLGRJHAAFQPAHI-UHFFFAOYSA-N 389.249 3.593 0 40 GHAB CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(N2CCOC2=O)c1 72091438 XJGFTILMDPYTOH-LJQANCHMSA-N 380.444 3.636 0 40 GHAB CCCN(C(=O)CCCNC(=O)C1CC1)[C@H]1C[C@H](OCC)C12CCCCC2 84750280 WBEPLPXODLHQCR-OALUTQOASA-N 378.557 3.659 0 40 GHAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(F)cc2)C1 95993587 LCUSRZULRHVRJQ-ZIAGYGMSSA-N 390.377 3.886 0 40 GHAB Cc1cc(N2CCOCC2)ccc1NC(=O)[C@@H](C)n1ccnc1-c1ccccc1 89589076 BVNWFXRVAZZOIK-GOSISDBHSA-N 390.487 3.895 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1)c1ccc(C)cc1 20460286 FFHOVQAKRSSARW-LJQANCHMSA-N 386.517 3.860 0 40 GHAB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408684132 MWHKLUVFPWCCEA-OALUTQOASA-N 394.858 3.849 0 40 GHAB Cc1ccccc1C(=O)N1CC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306143731 YKRDUFJIXZBJCH-LJQANCHMSA-N 383.455 3.729 0 40 GHAB COc1ccc(-c2noc(CN[C@@]3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1 502597572 VZHORHNHHRARID-OAQYLSRUSA-N 399.878 3.890 0 40 GHAB CC(C)(C)CC(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945607 DJMDMZINMOGOLQ-IBGZPJMESA-N 387.499 3.834 0 40 GHAB Cc1sc(-n2cnnn2)c(C(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)c1C 524732786 NUAPEHSBAPDPSP-INIZCTEOSA-N 392.488 3.629 0 40 GHAB COc1cc(Cl)c(C(=S)N2CCN(Cc3ccccc3)CC2)cc1OC 34807785 MIVXYTMQWAPYAU-UHFFFAOYSA-N 390.936 3.851 0 40 GHAB CCc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)cc1 36701609 DYFGUPRXBAQEST-KPOBHBOGSA-N 391.475 3.507 0 40 GHAB Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1C 32641063 XZSWAMPWEMMBAM-RTBURBONSA-N 386.542 3.578 0 40 GHAB Cn1nc(C(C)(C)C)c(Br)c1-c1nn2c(C3CC3)nnc2s1 72400586 VRDMVWONUJKEAC-UHFFFAOYSA-N 381.303 3.524 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@H]2CCCCN2C(=O)c2nccn2C)n1 72384418 SJSFWHSYEDTRCA-MRXNPFEDSA-N 395.438 3.817 0 40 GHAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2ccc(C)c(Cl)c2)c1=O 225969195 SDPOMLBBLOEKGR-UHFFFAOYSA-N 376.840 3.600 0 40 GHAB C[C@@H]1CCCC[C@H]1n1ccc2nc3ncnn3c(-c3ccc(F)cc3)c2c1=O 40398302 KLIWHYQEDZDSGH-CXAGYDPISA-N 377.423 3.997 0 40 GHAB COc1cccc(-c2noc(CCC(=O)N[C@H](C)CCc3ccccc3)n2)c1 225825207 VQCMXRBZXWLSAO-MRXNPFEDSA-N 379.460 3.815 0 40 GHAB Cc1ccc(N(C)C(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)cc1C 225972020 JOLNJBLYRQGSNJ-UHFFFAOYSA-N 380.897 3.629 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1F 225457600 ZRSVDGXCSLGFGO-QZTJIDSGSA-N 384.495 3.743 0 40 GHAB Cc1cccc(CN(C(=O)COc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)c1 224172386 WGLCRDKFYBRKTC-HXUWFJFHSA-N 396.531 3.872 0 40 GHAB CC(C)C[C@@H](C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1)n1cccc1 575443107 IVOWYGONVRBOOA-IBGZPJMESA-N 389.521 3.644 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NC(C)C 43732671 ZJWKDEMRLJPISO-KDOFPFPSSA-N 398.532 3.756 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222605008 BPUUXFWOXCCBJI-HXUWFJFHSA-N 386.467 3.537 0 40 GHAB O=C(COc1ccc2c(c1)CCCC2)NCc1cccc(CN2CCCC2)c1 224637497 IWKVHKDRGHLNMT-UHFFFAOYSA-N 378.516 3.856 0 40 GHAB Cc1sc(=O)n(CC(=O)Nc2ccc(Cl)cn2)c1-c1ccc(F)cc1 40130890 PGPCQOYJWKZKSR-UHFFFAOYSA-N 377.828 3.711 0 40 GHAB O=C(c1cnc2ccccc2c1)N1CC[C@@]2(CCN2Cc2ccc(F)cc2)C1 96076062 PQVKRFFLKDIBCC-HSZRJFAPSA-N 375.447 3.865 0 40 GHAB CN(C)c1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(Cl)cc3)C2)cc1 97104993 YQWBDSJFSRPQAK-SFHVURJKSA-N 377.897 3.517 0 40 GHAB COc1cccc2cc(C(=O)N3CC[C@@H](c4noc(-c5ccco5)n4)C3)oc12 253473149 RTTPPIAGCLOGAW-CYBMUJFWSA-N 379.372 3.714 0 40 GHAB CN1CCC(C(=O)N2CCC[C@@](C)(c3ncc(Cc4ccccc4F)o3)C2)CC1 257301095 RWZFLMFDKWOQFZ-HSZRJFAPSA-N 399.510 3.626 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3ccccc3F)CC2)CN1CCc1ccccc1 257339928 ZDTXZLZRNUISSF-DEOSSOPVSA-N 396.506 3.652 0 40 GHAB Cc1nc(C(=O)N2CCC[C@@H](CC(=O)Nc3ccc4nc(C)sc4c3)C2)co1 257339581 ZCJVKLBPNQQJPH-AWEZNQCLSA-N 398.488 3.782 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C)C2)c1 260825727 JTMLUZIBTJVPJE-SFHVURJKSA-N 386.517 3.651 0 40 GHAB C[C@@H](CNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)Cn1cccn1 613967608 VFGRRQKJXJZBPS-SFHVURJKSA-N 385.471 3.802 0 40 GHAB Fc1ccc(C[C@@H](NCc2cnn3c2CCC3)[C@@H]2COc3ccccc3O2)cc1 657471862 IMNUUMYCJIKZKY-XXBNENTESA-N 393.462 3.509 0 40 GHAB COc1ccc(-c2cccc(C(=O)N3CCC(N4CCOCC4)CC3)c2C)cc1 585293977 FXUCEQNZUVQLTG-UHFFFAOYSA-N 394.515 3.607 0 40 GHAB COc1ccc(F)cc1CN1CCN(c2ncnc3sc(C)c(C)c23)CC1 57562957 ZNKCBZNFAYXWPX-UHFFFAOYSA-N 386.496 3.778 0 40 GHAB COc1cccc(CN2CCC(c3cc(O)nc(-c4cccnc4)n3)CC2)c1 72392746 ZIUPVMJAKDDFEA-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 96120068 UMDIMIBLZFJYEU-KRWDZBQOSA-N 397.968 3.966 0 40 GHAB O=C(NC1C2CC3CC(C2)CC1C3)c1ccccc1I 6222318 BNMINXZYNNHLCM-UHFFFAOYSA-N 381.257 3.846 0 40 GHAB O=C(N[C@H]1C(=O)NN(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 5447370 SAEOQJCJCQYVBK-UXHICEINSA-N 391.858 3.731 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 14397436 MFYCBWVWQRQGHB-KRWDZBQOSA-N 377.824 3.931 0 40 GHAB CC(C)(C)c1ccc(C(=O)NC(=S)/N=c2\[nH]c3ccc(O)cc3s2)cc1 17078727 ZTZZTJMPKKLLOU-UHFFFAOYSA-N 385.514 3.848 0 40 GHAB Cc1cc(-c2snnc2[C@H]2CCCN(Cc3cc4c(cc3C)OCO4)C2)on1 19125574 OUNVBOREDDZTNO-AWEZNQCLSA-N 398.488 3.918 0 40 GHAB COc1ccc(CN2CCC[C@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)cc1 19496743 OKKZCTHYPYCASA-IBGZPJMESA-N 397.519 3.935 0 40 GHAB COc1cccc(C(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2)c1OC 19567309 FQDJIWHOWGTLTP-SFHVURJKSA-N 392.459 3.856 0 40 GHAB CNc1cc(CN(C)Cc2ccc(C(C)C)cc2)nc([C@@H]2CCCN2C(C)=O)n1 19759892 WCRVSDRARAGHPS-NRFANRHFSA-N 395.551 3.957 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc(O)cc2O)c(C)n1Cc1ccccc1 6080960 NSYTZCGXBLTBDC-UHFFFAOYSA-N 379.412 3.604 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1cccc2c1OCCO2 1889046695 UPQMASMDTXBLKJ-KRWDZBQOSA-N 381.453 3.650 0 40 GHAB O=C(c1cnc2ccccc2n1)N1CCC(Oc2cccc3cccnc23)CC1 238813080 AUBMIYKHOBYXBL-UHFFFAOYSA-N 384.439 3.862 0 40 GHAB CC(C)(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccsc1 1565519748 ZHCXTGARRFYFAD-UHFFFAOYSA-N 379.425 3.903 0 40 GHAB Cc1nc(C)c(-c2ccc(SCC(=O)N3CCc4ccccc43)nn2)s1 4358346 OJPMXOVXKFTKTA-UHFFFAOYSA-N 382.514 3.898 0 40 GHAB Oc1c([C@@H](c2ccc(F)cc2)N2CCc3ccccc3C2)sc2ncnn12 22609765 BFRCUVAYFFBWKT-QGZVFWFLSA-N 380.448 3.783 0 40 GHAB Cn1nc(CN(Cc2ccco2)S(=O)(=O)/C=C/c2ccccc2)cc1C1CC1 217897558 RORDOFRCKXTVBT-ACCUITESSA-N 397.500 3.893 0 40 GHAB CCCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 112124582 OGXJHGMDSCFFRL-GOSISDBHSA-N 398.484 3.858 0 40 GHAB O=C(CCc1ccccc1)NC1CCN(Cc2nc(-c3ccsc3)no2)CC1 40120466 OLNSVTGVKGVJLK-UHFFFAOYSA-N 396.516 3.512 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)CN(C)c2nc3ccccc3s2)c1 40146558 DWEMAUSJNCMAPE-UHFFFAOYSA-N 396.516 3.853 0 40 GHAB CCCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 20189964 DXWNTTAVMRODCB-UHFFFAOYSA-N 383.521 3.777 0 40 GHAB CC(=O)c1ccc(N2CCN(C[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 51112353 OSULMHAYFMJYJM-FQEVSTJZSA-N 392.421 3.764 0 40 GHAB CC[C@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NC1CC1 32073684 LPQRXBMVNPONEO-UGSOOPFHSA-N 396.516 3.510 0 40 GHAB CCOC(=O)c1c(C)oc2ncn(CCOc3ccc(C(C)C)c(C)c3)c(=O)c12 32745485 OTCRYKKUPYVATA-UHFFFAOYSA-N 398.459 3.985 0 40 GHAB COc1ccc(C(=O)CSc2nnc(C)n2Cc2ccccc2)cc1OC 2648779 GVTWLTOBAZCVRA-UHFFFAOYSA-N 383.473 3.627 0 40 GHAB O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCCCCC1 806094 REYKAVCUNZKNCE-UHFFFAOYSA-N 384.929 3.531 0 40 GHAB CCOC(=O)[C@@]1(CCC(C)C)C[C@H](CSc2nc3ccccc3[nH]2)OC1=O 849612 TUQCHRGLROOUSM-JLTOFOAXSA-N 390.505 3.956 0 40 GHAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)N1CCCC[C@@H]1C 904867 CQTRIHNHPKCRDO-INIZCTEOSA-N 388.537 3.679 0 40 GHAB COc1cccc(OC)c1NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C)c1 1343049 VEYKUHDPOOYJGP-INIZCTEOSA-N 383.448 3.647 0 40 GHAB CCC(=O)N(c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1)C1CCCC1 1345689 YSEOECXOSQHZJZ-UHFFFAOYSA-N 391.493 3.917 0 40 GHAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)[C@H]3CCCO3)c(=O)[nH]c12 1346796 UYHBVOMWHSRLAP-HXUWFJFHSA-N 394.446 3.683 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc(C)nc2ccccc12 2627190 BEOGORJQRSTASZ-UHFFFAOYSA-N 394.427 3.705 0 40 GHAB COCCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccco1 4161485 YULMWPHXKOTSKJ-UHFFFAOYSA-N 386.477 3.532 0 40 GHAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)cc2)c2ccccc21 684654 RYQZLXCJCBXVPM-LJQANCHMSA-N 388.261 3.666 0 40 GHAB COc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1 631121 DNAJFDBWXWTURG-OAHLLOKOSA-N 388.489 3.511 0 40 GHAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccncc1 12390150 VPPHSFSOSUVSBG-UHFFFAOYSA-N 397.500 3.995 0 40 GHAB CCOC(=O)Nc1cccc(NC(=O)c2[nH]nc(C)c2Br)c1C 54140662 WVNVHGJABQJHEZ-UHFFFAOYSA-N 381.230 3.610 0 40 GHAB O=C(CNc1ccccc1C(=O)NC1CC1)Nc1cccc(Cl)c1Cl 10754994 FZXPLXWUIMYDLC-UHFFFAOYSA-N 378.259 3.936 0 40 GHAB Cc1cc(CNCCc2ccc3c(c2)OCO3)c(C)n1-c1ccnn1C(C)C 24754384 UCVVZXDISLWGOI-UHFFFAOYSA-N 380.492 3.933 0 40 GHAB Cc1ccc(S(=O)(=O)c2cnc3c(-c4ccc(Cl)cc4)cnn3c2N)cc1 1390435 AQLMIFJMXYKWKN-UHFFFAOYSA-N 398.875 3.773 0 40 GHAB CN(C)C1(CNC(=O)Cn2c(-c3cscn3)nc3ccccc32)CCCCC1 12540020 KSYQTUBPGGIOTB-UHFFFAOYSA-N 397.548 3.541 0 40 GHAB CCc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4cc3O)CC2)cc1 25466573 YNUYTJCGHSZUJI-UHFFFAOYSA-N 388.467 3.706 0 40 GHAB COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1 3280962 UKEFWLFMSYKRRG-UHFFFAOYSA-N 397.452 3.789 0 40 GHAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1CCN(c2ccc(O)cc2)CC1 57024294 IRIUKIZAUWQBMG-KRWDZBQOSA-N 375.472 3.695 0 40 GHAB CCc1ccccc1-n1cnnc1SCC(=O)N1c2ccccc2C[C@H]1C 26927851 WQSSTEIUMSVPGC-OAHLLOKOSA-N 378.501 3.900 0 40 GHAB Cc1cc2nc(NC3=NCN(Cc4ccccc4Cl)CN3)nc(C)c2cc1C 20634298 QPQAWIMSNXDZJT-UHFFFAOYSA-N 394.910 3.997 0 40 GHAB Cc1ccc2nc(NC(=O)CCC(=O)c3ccc4c(c3)OCCO4)sc2c1 12762849 OYVLJVDKQPHZRF-UHFFFAOYSA-N 382.441 3.978 0 40 GHAB CCN(Cc1ccccc1)[C@H](c1ccncc1)c1nnnn1Cc1ccccc1 26438782 DDKJNRXKHUTYQD-JOCHJYFZSA-N 384.487 3.728 0 40 GHAB COc1ccc2c(CC(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)coc2c1 11002415 KXAFHUDQXMEDOC-MRXNPFEDSA-N 392.455 3.861 0 40 GHAB Cc1ccc(-c2nc(CSc3ccc(S(=O)(=O)N(C)C)cn3)co2)cc1 12730803 DTEUMTGGHWESQW-UHFFFAOYSA-N 389.502 3.588 0 40 GHAB CCN(Cc1nc(-c2ccc3c(c2)OCO3)no1)[C@@H](COC)Cc1ccccc1 72309411 HLUVOIVJRZHQFA-GOSISDBHSA-N 395.459 3.545 0 40 GHAB CCOc1cccc(CNC(=O)COc2ccc(Br)c(C)c2)c1 20111576 UQXYYIXKNBYBOF-UHFFFAOYSA-N 378.266 3.851 0 40 GHAB COc1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1Cl 12884759 GSNRTGNOIHFNEI-UHFFFAOYSA-N 385.851 3.704 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCc2ccc(C(C)C)cc2)c1 3406452 STLBNYGZPKURNB-UHFFFAOYSA-N 381.476 3.699 0 40 GHAB CCOc1ccccc1Nc1nnc(SCC(=O)N2CCCCC2)s1 3470261 BODJHFDVKFJQIV-UHFFFAOYSA-N 378.523 3.785 0 40 GHAB Cc1ccc(-n2nc(C)c(C(=O)Nc3ccc(/C=C/C(=O)O)cc3)n2)c(C)c1 12992839 UQDNKGYUGXDRCS-YRNVUSSQSA-N 376.416 3.543 0 40 GHAB CSCC[C@@H](NC(=O)Cc1coc2cc(C)ccc12)c1nnc2ccccn12 12926808 UKZRAVBYAWHSSU-QGZVFWFLSA-N 394.500 3.937 0 40 GHAB CN(Cc1cccc(F)c1)Cc1nc2ccccc2c(=O)n1Cc1ccco1 12974845 GNMQBRFCCLKLIA-UHFFFAOYSA-N 377.419 3.809 0 40 GHAB O=C1N/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N1Cc1ccccc1F 13119110 NRSLCMVONQCYGR-XDHOZWIPSA-N 379.366 3.848 0 40 GHAB aggregator Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccccn4)c(C)c3cc2c1C 4000396 RJLARZIMCRQRDP-UHFFFAOYSA-N 376.412 3.718 0 40 GHAB biogenic Cc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 20610420 QJCXDBYITNJIGQ-UHFFFAOYSA-N 376.391 3.886 0 40 GHAB O=C(Cn1c(C[S@@](=O)c2ccccc2)nc2ccccc21)Nc1ccccc1 4024533 JYYICIPPQMLTSN-NDEPHWFRSA-N 389.480 3.983 0 40 GHAB O=C(c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1)N1CCSCC1 49545625 ZJBRDGDGIDFZJO-UHFFFAOYSA-N 390.871 3.645 0 40 GHAB C[C@@H](N[C@@H](CC(=O)c1ccc(Br)cc1)C(=O)O)c1ccccc1 4118514 PBAINNIDDTZARI-WBMJQRKESA-N 376.250 3.826 0 40 GHAB CC(C)[C@H]1C[C@](CC(=O)N2CCN(C)CC2)(Cc2ccccc2Cl)CCO1 13654070 CWBQNELCQASBAE-IFMALSPDSA-N 392.971 3.868 0 40 GHAB CCN1C(=O)N[C@H](c2ccccc2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 5446988 KSBQVNFVPBLTFR-CPUCHLNUSA-N 398.406 3.584 0 40 GHAB O=C(c1cccc(Cl)c1)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F 4614969 YSSLZKZGTCSXSY-MRXNPFEDSA-N 386.732 3.980 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(NC(=O)C2CC2)cc1 9690265 CNVITPYCWZTPFH-UHFFFAOYSA-N 377.488 3.561 0 40 GHAB COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)c1ccccc1 4732578 VVRLDPDXTNANED-UHFFFAOYSA-N 385.427 3.649 0 40 GHAB Cc1cc(Nc2cc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)nc(C)n2)[nH]n1 72360838 BOIPAUXHJBTTNN-INIZCTEOSA-N 394.454 3.719 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccccc1)S2 6811846 KZYPNKNBSNGJDH-MSOLQXFVSA-N 379.489 3.547 0 40 GHAB Nn1c(COc2ccccc2)nnc1SCc1ccc(Br)cc1 5864024 XQMODBZHIXIGPH-UHFFFAOYSA-N 391.294 3.626 0 40 GHAB Cc1nnc(SCC(=O)NC(=O)Nc2ccccc2F)n1C1CCCCC1 5865386 YXZCSELCYWNYDY-UHFFFAOYSA-N 391.472 3.671 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCc2c(C)nn(-c3ccccc3)c2C)cc1 5938010 DSPYSKYHTLLDNP-UHFFFAOYSA-N 391.471 3.912 0 40 GHAB Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccccc4)c3)n2)c1 67289524 KARCRNRFFSPBMZ-UHFFFAOYSA-N 386.411 3.512 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O 7024028 RALYUHAFKBQRJY-YOEHRIQHSA-N 381.501 3.820 0 40 GHAB CCOc1cc(Cl)c(S(=O)(=O)N2CCN=C2c2ccccc2)cc1Cl 19619296 NTROEYNHZCVDPZ-UHFFFAOYSA-N 399.299 3.843 0 40 GHAB Cc1cc(C)c2c(C)c(C(=O)N3CCC[C@H]3C(=O)NCc3ccco3)sc2n1 84114783 DJYKVGPGUSUOIA-INIZCTEOSA-N 397.500 3.736 0 40 GHAB O=C(Nc1ccccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7669775 FGDKZQTUCMGRES-INIZCTEOSA-N 399.299 3.785 0 40 GHAB Cc1ccccc1C(=O)N1CCC[C@]2(CC1)CN(Cc1cccs1)CCO2 306134113 NDSXZGSWRYWUJM-QFIPXVFZSA-N 384.545 3.954 0 40 GHAB C[C@@H]1CN(c2ccc(NC(=O)Nc3cccc4cccnc34)cn2)C[C@@H](C)O1 68626042 WLRFQXIVBKSYHS-HUUCEWRRSA-N 377.448 3.887 0 40 GHAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cc2ccccc2o1 7981161 XRXQESNMWLFJTA-UHFFFAOYSA-N 383.429 3.833 0 40 GHAB COc1cc(OC)c(NC(=O)C(=O)N2CCC[C@@H]2c2cccs2)cc1Cl 83919872 SUEMQDCYLWFQRR-CYBMUJFWSA-N 394.880 3.721 0 40 GHAB COc1cc([C@@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc(OC)c1OC 96221916 JWYSIMPWIDHGCF-AWEZNQCLSA-N 396.395 3.568 0 40 GHAB biogenic O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(-n2cccn2)cc1 8278416 DLGVDGXGOZHWPH-UHFFFAOYSA-N 383.835 3.617 0 40 GHAB Cc1ccc(C2=Nn3c(nnc3-c3ccccc3F)S[C@@H]2CC(=O)O)cc1 8391812 JLVCDXOBIDZNIA-OAHLLOKOSA-N 382.420 3.594 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCCCC2)cc1Cl 71825418 PWRHDLQYXPTRMS-UHFFFAOYSA-N 380.872 3.796 0 40 GHAB O=C(NCC(=O)N1CCCc2ccccc21)N[C@@H]1CCSc2c(F)cccc21 84581950 KBTJLMYWQZHHGA-QGZVFWFLSA-N 399.491 3.641 0 40 GHAB Cc1nn(C)c(Sc2ccccc2)c1C(=O)N=c1cc(C2CCCC2)[nH][nH]1 545232818 QCBMOEYTUNOXOD-UHFFFAOYSA-N 381.505 3.935 0 40 GHAB Oc1cc(CSc2nc3ccccc3o2)nc2nc(-c3ccccc3)nn12 9936163 YBOHMSFGSMUGPB-UHFFFAOYSA-N 375.413 3.930 0 40 GHAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(-c2ccc(Cl)s2)[nH]n1 89505569 LGPVKEBQVZXQSR-UHFFFAOYSA-N 399.929 3.987 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc21 64947121 HMDSFIWRBWJVSN-UHFFFAOYSA-N 376.503 3.891 0 40 GHAB O[C@H](COc1ccc(Cl)cc1Cl)CN1CCN(c2ccc(F)cc2)CC1 26781560 QWQGZRSBKDTGKY-KRWDZBQOSA-N 399.293 3.694 0 40 GHAB CC(=O)Nc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(C)cc3)c[nH]2)cc1 67898685 GLEMIBPADOLKMH-QFIPXVFZSA-N 390.487 3.917 0 40 GHAB biogenic,in-vitro CCCCC(C)(C)[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 38158975 YMRWVEHSLXJOCD-QCURHANFSA-N 382.541 3.679 0 40 GHAB NC(=O)c1ccccc1CCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 525912314 AMNCACGJUAESNJ-MRXNPFEDSA-N 393.512 3.734 0 40 GHAB COc1ccccc1NC(=O)CNC(=O)c1ccc(COc2ccccc2C)o1 408562622 QZIGTXALPZIFAG-UHFFFAOYSA-N 394.427 3.544 0 40 GHAB CO[C@]1(C)CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 530305495 FUQVZYHGYLRRHF-LJQANCHMSA-N 399.457 3.734 0 40 GHAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN[C@@H](c1ccc(C)cc1)C1CC1 32899663 UJUICAPUAMIEGM-OFNKIYASSA-N 383.488 3.687 0 40 GHAB CCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)CCC2 72372955 KTDIVCBFGJBVBS-IBGZPJMESA-N 382.483 3.950 0 40 GHAB Cc1nc2nc(SCC(=O)N[C@H](C)c3ccccc3Cl)nn2c(C)c1C 40119244 KJUHUURXXDWULS-GFCCVEGCSA-N 389.912 3.672 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 223626244 OTHQWHDKRUNCIT-LJQANCHMSA-N 382.504 3.544 0 40 GHAB COc1ccc(CNC(=S)Nc2nc(C)cc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 225932204 LOKKEEYAMRDMOY-GASCZTMLSA-N 399.564 3.763 0 40 GHAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1 223561292 IXVMMXWHLRJZTM-OAQYLSRUSA-N 382.504 3.789 0 40 GHAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CN1CCO[C@@H](c2ccc(F)cc2)C1 195528968 HCTQBABQZRDQQK-VXSCBNMQSA-N 389.511 3.569 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 225000360 FPIWSAJKUNCKML-OALUTQOASA-N 396.531 3.960 0 40 GHAB CCOC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(Cl)cc2)cc1 225147418 HRYYYTLOQQMQKN-UHFFFAOYSA-N 381.881 3.728 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 222795715 VTHXTYQVVYMRLX-NHCUHLMSSA-N 391.544 3.931 0 40 GHAB COC(=O)c1cccc(Nc2ncncc2-c2nc(-c3cccs3)no2)c1 225578994 PVHZYIPSWZFFSX-UHFFFAOYSA-N 379.401 3.785 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 225183919 QZNXMWLRPUOCMR-GOSISDBHSA-N 384.545 3.700 0 40 GHAB CCOC(=O)c1cnc(NC(=S)N[C@@H](C)c2ccc(Cl)cc2)nc1C 225198627 LIZADOKXZCLUJI-JTQLQIEISA-N 378.885 3.663 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 225052849 UMDWDAUNRDIUOV-RBUKOAKNSA-N 382.504 3.706 0 40 GHAB Cc1cccc(O[C@@H](Cc2ccc(I)cc2)C(=O)O)c1 225067490 ZWHPNXWRJGYFND-HNNXBMFYSA-N 382.197 3.674 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C 224599266 ICWVCKPPZGOCNL-WOJBJXKFSA-N 378.501 3.920 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccncc2)c1C 222772844 NGUFMXLWVIBMSX-LEWJYISDSA-N 391.544 3.936 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 225280445 NFTIBJJRQUXKCZ-FQEVSTJZSA-N 388.458 3.841 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCSCc2ccco2)cc1C(C)C 225203418 BZPRXWKEZJPVPK-UHFFFAOYSA-N 383.535 3.932 0 40 GHAB O=C(NCc1ncc(C(F)(F)F)cn1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 576958894 ZKHKDCIXIGDRRM-INIZCTEOSA-N 390.409 3.975 0 40 GHAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@@H](c2ccc3nccnc3c2)S1 95477255 VMRKYBOIRJUKOX-QGZVFWFLSA-N 381.461 3.770 0 40 GHAB COc1ccccc1-c1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)nn1 98211194 USHWGGDCHDHQNY-UHFFFAOYSA-N 384.480 3.646 0 40 GHAB CCc1oc2ccccc2c1CC(=O)N[C@@H](C)C(=O)N1Cc2ccccc2C1 529227445 ZVQVMUXYYVKOEB-HNNXBMFYSA-N 376.456 3.585 0 40 GHAB CC(=O)N1CCC[C@H]2N(C(=O)c3ccnc(-c4scnc4C)c3)CCC[C@@]21C 257345039 ZZRYKRBFFXEMCH-NQIIRXRSSA-N 398.532 3.519 0 40 GHAB CCc1cc(N2CCN(c3ccc(F)c(OC)c3)CC2)nc(-c2ccncc2)n1 585080337 OEUGKDJFOISEDK-UHFFFAOYSA-N 393.466 3.575 0 40 GHAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(Cc1cn(C)cn1)CCO2 257330521 XOTATQKJYDHVBS-FKBYEOEOSA-N 387.499 3.564 0 40 GHAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3ocnc3C)C2)o1 257338204 YWLAYUYQFBAKEG-INIZCTEOSA-N 381.432 3.590 0 40 GHAB O=C(O)C1CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1 262986380 CUVRYXKZCYUCCG-UHFFFAOYSA-N 375.812 3.856 0 40 GHAB Cc1cc(C2(NC(=O)Nc3cccc(-c4ncco4)c3C)CCOCC2)on1 626571299 XOTHIEOEIRLWID-UHFFFAOYSA-N 382.420 3.774 0 40 GHAB NC1(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)CC2(CCC2)C1 659286399 FNTUTECBHZMFRP-UHFFFAOYSA-N 376.460 3.513 0 40 GHAB Cc1cc(CN(C)C(=O)c2coc(COc3ccc4ncccc4c3)n2)ccn1 67955026 KEIMTQQXRMCOOQ-UHFFFAOYSA-N 388.427 3.777 0 40 GHAB Cc1ccc(OCc2nc(N3CCc4ccccc4C3)ncc2C(=O)O)cc1 585265971 WIVFIZAMFHJOTO-UHFFFAOYSA-N 375.428 3.625 0 40 GHAB CC(C)C[C@@H](O)C(=O)N1CCC[C@@]2(CCCN2Cc2cc(F)ccc2F)CC1 585100372 KMXFBALNFOBJGJ-IFMALSPDSA-N 394.506 3.719 0 40 GHAB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1ccccc1Cl 3032193 DGIIFGYDOUQPMD-OQLLNIDSSA-N 389.816 3.892 0 40 GHAB O=C(Cc1cccc(F)c1)N1CCC[C@H](c2ccnc(-c3cccnc3)n2)C1 12119377 VCRKIKSZLZLNQU-SFHVURJKSA-N 376.435 3.626 0 40 GHAB O=C(NCCSCc1ccccc1)c1ccccc1I 18150058 APJODIVKOFOHTN-UHFFFAOYSA-N 397.281 3.954 0 40 GHAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)on1 19121077 UFCSSLBHXMHFRJ-AWEZNQCLSA-N 392.868 3.552 0 40 GHAB Cc1ccc(C(=O)NCCc2c[nH]c3cccc(C4(O)CCOCC4)c23)s1 19217098 RUIVPDDRPLSREJ-UHFFFAOYSA-N 384.501 3.508 0 40 GHAB CN(C)c1cccc(C(=O)N2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1 19585055 VINRSQOSTKDIBB-OAQYLSRUSA-N 379.435 3.654 0 40 GHAB Cn1nc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc1-c1ccc(Cl)cc1 19660460 JEQCQSRSSJGUHZ-GOSISDBHSA-N 385.899 3.782 0 40 GHAB COc1ccc(CCNC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1 169890520 NARWNTXXTGDWRS-UHFFFAOYSA-N 385.851 3.690 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN([C@H]2CCSC2)CC1 225571190 YHXUDOTVQSJOAE-KRWDZBQOSA-N 396.984 3.831 0 40 GHAB Cc1occc1-c1nc(NCCCN2CCCCC2)ncc1-c1cnccn1 12337107 IZLMZQGURRHCGO-UHFFFAOYSA-N 378.480 3.790 0 40 GHAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccc(Cl)c(Cl)c1)C2 12666189 LRTXAHNMCLIMEL-UHFFFAOYSA-N 387.270 3.697 0 40 GHAB COc1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1C 257327377 XBCFNOYBBOKJMG-LTMIRXACSA-N 381.520 3.564 0 40 GHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/c1nc2ccccc2s1 6876233 SUNWLMFTMBPLMC-NNNHXZLVSA-N 393.921 3.985 0 40 GHAB COc1ccccc1NC(=O)c1cc2cc3c4c(c2oc1=N)CCCN4CCC3 4193209 QDZRRJRSENBVIK-UHFFFAOYSA-N 389.455 3.872 0 40 GHAB COc1ccc(-c2cnc(SCCNC(=O)Cc3cccc(C)c3)[nH]2)cc1 4315483 UAWVDOZXCQVXHT-UHFFFAOYSA-N 381.501 3.845 0 40 GHAB O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1ccc2c(c1)OCO2 13695098 ALVDFXMJSIDOPW-UHFFFAOYSA-N 378.428 3.747 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@@H](Oc3ccncc3Cl)C2)cc1OC 575613737 SQKWUIBDVHOKOH-CQSZACIVSA-N 391.855 3.828 0 40 GHAB Cc1nc(CN2CCc3nc4ncc(Br)cc4cc3C2)cs1 2298071707 WKNOUGSJGSHYPI-UHFFFAOYSA-N 375.295 3.716 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1nc(C)c(C)s1 40082137 UAKGPQSYHQEDSN-AWEZNQCLSA-N 393.896 3.665 0 40 GHAB CNC(=O)c1ccc(CN(C(=O)CCOc2ccc(C)cc2C)C2CC2)cc1 30228773 XTRQJSMFIJQOHO-UHFFFAOYSA-N 380.488 3.623 0 40 GHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1nn(-c2ccccc2)c2c1CCC2 31156059 MWHXWSDSDDBTOC-UHFFFAOYSA-N 397.482 3.536 0 40 GHAB COc1ccc(-c2nc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)cs2)cc1OC 31256547 PHMFCDKCMCRTMF-UHFFFAOYSA-N 397.412 3.514 0 40 GHAB CC(=O)c1cnc2sc(C(=O)Nc3ccccc3C(=O)NC3CC3)c(C)c2c1 31652986 YSMZNFHQSMRKMT-UHFFFAOYSA-N 393.468 3.952 0 40 GHAB COCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20735641 JHBHFTGASNNDKE-FQEVSTJZSA-N 384.520 3.634 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1=O)N[C@@H]1CCSc2ccccc21 32795638 LWQVTVMHDAJVCS-LJQANCHMSA-N 395.528 3.845 0 40 GHAB Cc1ccn(C(=O)c2ccc3c(c2)CCCC(=O)N3)/c(=N/C2CCCCC2)c1 102394858 PNWKCOYRYZQPJM-DARPEHSRSA-N 377.488 3.993 0 40 GHAB COC(=O)c1c(C)nc(C(C)(C)C)nc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 32810097 ZAZDSAGOYFKDIG-GXTWGEPZSA-N 393.553 3.656 0 40 GHAB CC(C)(C)[C@@H]1CCc2c(sc3ncn(CC(=O)N4CCCCC4)c(=O)c23)C1 938363 YLAIORSEODKPJL-CQSZACIVSA-N 387.549 3.622 0 40 GHAB Cc1ccccc1C(=O)N1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 1332365 XZALSXFHCUKFOC-UHFFFAOYSA-N 392.528 3.841 0 40 GHAB COc1ccc(-c2c3cnn(C(C)C)c3nc3c2sc(=O)n3C)c(OC)c1 79464629 GZHNKCUKUZRSFR-UHFFFAOYSA-N 384.461 3.610 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)NCc3ccccc3)n2C(C)C)cc1 3481804 SXDYDFRXALASSB-UHFFFAOYSA-N 396.516 3.943 0 40 GHAB COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NCCc2ccccc2)cc1 4900702 WGVBCMRYYWNEFN-FQEVSTJZSA-N 379.412 3.545 0 40 GHAB O=C(NC1CCCCCC1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 7264517 OKLSYTMYVICJMX-UHFFFAOYSA-N 376.456 3.935 0 40 GHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 7504954 NFHVSIQWMLATDJ-HNNXBMFYSA-N 393.418 3.557 0 40 GHAB CC1=C(c2ccccc2)[C@H]2[C@@H]3C=C[C@H](n4c(=O)n(-c5ccccc5)c(=O)n43)[C@]12C 104290161 IBMOYNVTDRYDMG-KLNOSBNDSA-N 383.451 3.576 0 40 GHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc4c(c3)OCO4)c12 10641708 RCQWUMBLOOTGAK-UHFFFAOYSA-N 386.411 3.925 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)NC[C@@H](c1ccccc1)N(C)C 22877369 RFERKGOIPKPUBL-KSSFIOAISA-N 375.900 3.568 0 40 GHAB Cc1cccc(C(=O)Nc2ccc(Oc3nn4c(=O)cc(C)nc4s3)cc2)c1 23198265 LVVYMLGRZOPKLR-UHFFFAOYSA-N 392.440 3.812 0 40 GHAB CCOc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OC(=O)CC 994413 XMAWFCGDJXBWAM-LFIBNONCSA-N 383.375 3.884 0 40 GHAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)n2ncnc2N1 950566 DZLSUQOVQMXEDQ-SFHVURJKSA-N 380.835 3.964 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)C1CCN(Cc2cccc(Cl)c2)CC1 9063313 OTXGHKLPPKWSAV-UHFFFAOYSA-N 386.879 3.962 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)n1 12540006 WWTKJPLRRKGVDI-TXEJJXNPSA-N 394.928 3.730 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c(OC)c1 59227209 YEVUUFNUTOMPCP-ZDUSSCGKSA-N 388.851 3.657 0 40 GHAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107157191 UDFXPFALALUPSA-RTWAWAEBSA-N 395.890 3.547 0 40 GHAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCCc1cn2ccccc2n1 25529906 GMOPYHSYXFVCIE-UHFFFAOYSA-N 396.397 3.559 0 40 GHAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 102178659 SYVGAJWHGROYRF-XSLAGTTESA-N 394.452 3.780 0 40 GHAB O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)Nc1ccccc1 57487016 FCXUYEKAOMYJJU-UHFFFAOYSA-N 388.383 3.573 0 40 GHAB O=C(Cn1nnc2ccccc21)N1N=C(c2cccs2)C[C@@H]1c1cccs1 12686318 WUWUAHJXRSGVMU-MRXNPFEDSA-N 393.497 3.932 0 40 GHAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CC(C)(C)C)c1 12630324 LELOKYMMLGQFKH-UHFFFAOYSA-N 392.477 3.576 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(Nc2cccc(F)c2)n1 57506217 HPBDDXOSOLCONL-UHFFFAOYSA-N 380.423 3.690 0 40 GHAB Cn1ccc(NC(=O)c2ccc(COc3ccccc3Br)o2)n1 28235583 INXAGAZWGZUOJW-UHFFFAOYSA-N 376.210 3.607 0 40 GHAB CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc12 2092041 OHAGTWKUJOJSIC-ZDUSSCGKSA-N 389.448 3.873 0 40 GHAB CCN(C(=O)Cn1c(Nc2cccc(F)c2)nc(C)cc1=O)c1cccc(C)c1 57506110 WHIFUTPUUGIIPX-UHFFFAOYSA-N 394.450 3.796 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 3353696 DLHWGTNXSJSZTG-UHFFFAOYSA-N 381.453 3.921 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCC[C@H](C)C1 2219006 MOSKJPPFBGVAKB-ZDUSSCGKSA-N 375.444 3.544 0 40 GHAB CCOc1cc2c(cc1CN(Cc1cccnc1)C[C@H]1CCCN1CC)OCO2 22931846 AMYOEPRPWOAHSV-HXUWFJFHSA-N 397.519 3.696 0 40 GHAB COc1ccc(CN(C)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 28941083 RCYSIALJGZXCTI-UHFFFAOYSA-N 379.243 3.688 0 40 GHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccccc1Br 12885391 DKMIDHFFMAYQQI-UHFFFAOYSA-N 387.199 3.937 0 40 GHAB Cc1cc2oc(=O)cc(COC(=O)c3cccnc3N3CCCC3)c2cc1C 12807962 RZMNQVCOESOWLQ-UHFFFAOYSA-N 378.428 3.762 0 40 GHAB CC(=O)Nc1cccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)c1 12852604 RBANATBTTBLUNA-UHFFFAOYSA-N 381.461 3.513 0 40 GHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(F)cc(F)c1 12862377 LCXJUERUAGWBDL-UHFFFAOYSA-N 375.400 3.663 0 40 GHAB Cc1nc(C(=O)OCc2csc(Br)c2)nn1-c1ccc(F)cc1 46247387 CNWHIFOZRZITDD-UHFFFAOYSA-N 396.241 3.896 0 40 GHAB CCc1ccc(Nc2nnc(SCC(=O)Nc3c(C)n[nH]c3C)s2)cc1 3443786 OOSYLDZBYZMLGG-UHFFFAOYSA-N 388.522 3.915 0 40 GHAB CC[C@H](C)NC(=O)COC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl 3451386 SNOUPVXWWXWJNW-NSHDSACASA-N 398.290 3.618 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1cccc(F)c1 12998089 VPMYJVHZIDMOGV-LJQANCHMSA-N 398.390 3.662 0 40 GHAB COC(=O)/C=C/c1ccc(OCC(=O)N[C@@H](c2ccccc2)C(C)C)c(OC)c1 12919472 VQFYBUHQRHITAC-ABSORMQESA-N 397.471 3.774 0 40 GHAB CN1CCN(C(=O)CSc2nc3ccccc3s2)[C@H](c2ccccc2)C1 12912233 AAXPGTPPHDSXLB-KRWDZBQOSA-N 383.542 3.904 0 40 GHAB Cc1cc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)no1 12984572 ADRQGAUZBSOZGT-UHFFFAOYSA-N 391.221 3.701 0 40 GHAB CC(=O)N1C[C@H](C(=O)Nc2ccc(C)cc2Br)Oc2ccccc21 12986045 BKBZIXHPFWVIBY-QGZVFWFLSA-N 389.249 3.510 0 40 GHAB COc1cc(C(=O)NCc2nc3ccccc3n2CC(C)C)cc(OC)c1OC 13576695 IGYUUZCMGIDYEB-UHFFFAOYSA-N 397.475 3.648 0 40 GHAB COC(=O)[C@@H](C)Oc1ccc2c(C)c(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 4340327 WOWKRJWGWPNGDC-CYBMUJFWSA-N 398.411 3.726 0 40 GHAB biogenic CCCOc1ccc(OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 14229232 JGUIRZDJSIRRNY-UHFFFAOYSA-N 384.476 3.534 0 40 GHAB CN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1cccs1 5562642 FZORPVXTBYNVQA-ZDUSSCGKSA-N 376.231 3.792 0 40 GHAB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 5615864 RAPNXUDQSRISDN-UHFFFAOYSA-N 387.741 3.920 0 40 GHAB CC(C)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc1 6752906 PTQVAIKEYDTQST-QFIPXVFZSA-N 391.471 3.833 0 40 GHAB COc1ccc(/C=C/c2nc(S(=O)(=O)c3ccccc3)c(N(C)C)o2)cc1 6754968 PKYPFCIMSIMGKC-SDNWHVSQSA-N 384.457 3.752 0 40 GHAB Cc1nc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)sc1C 7341990 SHKXQNKYWGUCHY-UHFFFAOYSA-N 379.898 3.929 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C1CC1)N(Cc1ccccc1F)C1CC1 7550801 ADGDKSSUVFCKHL-UHFFFAOYSA-N 386.496 3.913 0 40 GHAB Cc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C 9378582 GRSBYRMABYQYNV-HXUWFJFHSA-N 399.516 3.700 0 40 GHAB Cc1ccc(C)c(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)c1 71327323 OXLDBQFAYYYMKB-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB Cc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Cl)cc1)S2 9236474 XWGCZBWWTBNBHJ-HZPDHXFCSA-N 385.880 3.638 0 40 GHAB CN(Cc1ccsc1)C(=O)CSc1ncnc2c1cnn2-c1ccccc1 8312350 POIAFTYHNNRHES-UHFFFAOYSA-N 395.513 3.628 0 40 GHAB O=C(NCc1nc2ccccc2[nH]1)c1cn(-c2ccccc2)nc1-c1cccnc1 9378465 PMWSEQDKOSJIFY-UHFFFAOYSA-N 394.438 3.741 0 40 GHAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 21600780 GHWBUZXFSFOPOF-CVEARBPZSA-N 384.501 3.715 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)N[C@@H](C)c2ccc(Br)cc2)cc1 95350732 VFFFMJNSQIBFEC-KBPBESRZSA-N 391.309 3.813 0 40 GHAB CC(C)(C)[C@@H]1CCN(Cc2ccc(OCC(=O)Nc3ccccc3)cc2)C[C@@H]1O 95467756 MADZDLNMXDGUDU-YADHBBJMSA-N 396.531 3.933 0 40 GHAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)C1=O 409086201 GKFVCCRSEKEDQE-BJMVGYQFSA-N 376.217 3.513 0 40 GHAB COC(=O)[C@H]1CCCC[C@@H]1NCc1c(C)nn(Cc2ccccc2)c1Cl 95941292 XRJGTKLOPJECAS-WMZOPIPTSA-N 375.900 3.715 0 40 GHAB O=c1cc(CNc2cc(Cl)ccc2OC[C@@H]2CCCO2)nc2ccccn12 67959050 NAKGPQBYCWMYDJ-INIZCTEOSA-N 385.851 3.518 0 40 GHAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 20456243 ZXNTUVONJIKFIZ-GFCCVEGCSA-N 375.446 3.610 0 40 GHAB CC(C)N(C)C(=O)c1ccc2c(c1)C1(CCO2)CCN(Cc2ccncc2)CC1 306140351 UQZBSROHDROASA-UHFFFAOYSA-N 393.531 3.878 0 40 GHAB O=S(=O)(c1ccccc1)N1C[C@H]2c3ccccc3CCN2[C@H]1c1ccccc1 33825858 KMUAPPVLJUNPNB-XZOQPEGZSA-N 390.508 3.989 0 40 GHAB COc1ccc(-c2nnc(CN(C)C(=O)c3ccccc3SC)o2)cc1OC 408714809 XBEVTWAFXKTHNC-UHFFFAOYSA-N 399.472 3.748 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1S(=O)(=O)NC(C)C 408700612 IXFCOUBCHLXKKF-UHFFFAOYSA-N 390.505 3.587 0 40 GHAB Cc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409136276 YGJDSWWIBUPXGQ-UHFFFAOYSA-N 394.924 3.677 0 40 GHAB Cc1nc2ccccn2c1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 38709228 SJCIWLHJOVTNNE-UHFFFAOYSA-N 386.411 3.691 0 40 GHAB CCc1noc(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cc2)n1 35476568 FFFCJWSHXDFIRU-INIZCTEOSA-N 390.443 3.599 0 40 GHAB O=C(NCCSCc1ccco1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38852077 CBXBUCADOLGWSE-QGZVFWFLSA-N 376.497 3.680 0 40 GHAB COc1cc(C[C@@H](SC)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 2362803895 JWJMATYKMKRADH-SFHVURJKSA-N 396.530 3.726 0 40 GHAB CCC(CC)CN(CC)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 32263098 LKVVOKRSYAMMRM-UHFFFAOYSA-N 392.521 3.656 0 40 GHAB O=c1c2ccccc2n2c(SCC(F)(F)F)nnc2n1Cc1ccccc1 32778334 ZYHBEUZYJKNMIC-UHFFFAOYSA-N 390.390 3.747 0 40 GHAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2C(=O)c2cccnc2)n1 72376945 AAKVTVRTFBBALA-SFHVURJKSA-N 377.423 3.627 0 40 GHAB O=C(NCc1ccccc1F)c1nnn(-c2ccc(F)cc2)c1-c1cccnc1 49003560 QWICNMICHUSFSS-UHFFFAOYSA-N 391.381 3.538 0 40 GHAB COc1cc(OC)c(OC)cc1CN[C@H](C(=O)N1CCCCC1)c1ccccc1 48341785 RHSKAJQKOFVQCU-QFIPXVFZSA-N 398.503 3.556 0 40 GHAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1F 223561164 QSWAJAFODDMUTK-GOSISDBHSA-N 384.495 3.744 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1 225424300 ZDIABFFXHSRAJU-VQTJNVASSA-N 380.532 3.994 0 40 GHAB CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(Cl)cc1 224717271 BFTWCRZUBMUKDR-UHFFFAOYSA-N 388.272 3.995 0 40 GHAB Cc1cccc(CN(C(=O)COc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)c1 225514065 RVBYIXRWIQBHJH-IBGZPJMESA-N 382.504 3.624 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 223057589 PRANKPYLBIUTIO-HXUWFJFHSA-N 382.504 3.544 0 40 GHAB Cc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 225691423 WMXRSUQBDGOFLV-HXUWFJFHSA-N 380.532 3.912 0 40 GHAB CC[C@@H](C(=O)NC(C(C)C)C(C)C)N(c1cc(C)ccc1C)S(C)(=O)=O 220536219 INJMTBKPMKWNRX-KRWDZBQOSA-N 382.570 3.645 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSc1ccccc1 223843875 YSRLDQPDHVENRX-INIZCTEOSA-N 388.508 3.861 0 40 GHAB CCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224233077 OVDIBLJTMGVTHL-UHFFFAOYSA-N 380.897 3.695 0 40 GHAB O=C(NCC1CCN(C(=O)/C=C/c2ccco2)CC1)c1nc2ccccc2s1 44002010 QZBDDVBHTNOFDO-BQYQJAHWSA-N 395.484 3.571 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3cc(F)ccc32)cc1 225752714 ZVLGAQRCPXHMQZ-UHFFFAOYSA-N 396.418 3.736 0 40 GHAB Cc1cc(C)cc(OCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 224106455 BDLPSAYGNNUGME-FQEVSTJZSA-N 384.495 3.850 0 40 GHAB COc1ccc(C2=NO[C@](C)(C(=O)NCC(C)(C)c3cccc(F)c3)C2)cc1 141569839 SKTCTNGNNISZBM-QFIPXVFZSA-N 384.451 3.811 0 40 GHAB O=C(NC[C@H]1CCCOC1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257276049 NSDSCTITRDTMPD-HXUWFJFHSA-N 394.515 3.631 0 40 GHAB CC[C@@H](O)Cn1nc(-c2cc(C(=O)O)ccc2OC)cc1-c1ccccc1OC 257285967 PJOTXAGVEOAOAL-OAHLLOKOSA-N 396.443 3.703 0 40 GHAB COc1cccc([C@](C)(CC(=O)O)NC(=O)c2nsc3ccc(C)cc23)c1 1599653748 YBIVMMONLAUFDW-FQEVSTJZSA-N 384.457 3.733 0 40 GHAB COc1ccccc1N1CCN(Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 54219968 QBRPEYIYTMCZQI-UHFFFAOYSA-N 378.472 3.741 0 40 GHAB biogenic COc1ccc([C@H](CNC(=O)[C@@H]2CCCCN2C)c2c[nH]c3ccccc23)cc1 599294023 UVPCFQDBRMODGL-REWPJTCUSA-N 391.515 3.909 0 40 GHAB O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 668407706 CAOOGNCVZIUJKR-XMTFNYHQSA-N 395.503 3.615 0 40 GHAB Cc1ccc(CC(=O)N2CCC3(CC2)C(=O)N(C(C)C)c2ccccc23)cc1 585104563 QHSJAIQICJKKJQ-UHFFFAOYSA-N 376.500 3.853 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)c2cc3ccc(Cl)cc3nc2C)c1 36742289 KMOLMDMNAFRWMB-UHFFFAOYSA-N 397.862 3.916 0 40 GHAB CC(=O)N1CC2(CCN(C3CCN(C(C)C)CC3)CC2)C[C@@H]1Cc1ccccc1 1615153999 COKXMJZLKAUCSA-DEOSSOPVSA-N 397.607 3.805 0 40 GHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)N(C)c3ccccc3)n2C)cc1 5847371 ARZKVUKRWIYZJL-CQSZACIVSA-N 382.489 3.634 0 40 GHAB CC(C)Cc1cc(C(=O)N2CCC[C@H](c3ncncc3-c3ccncc3)C2)no1 12088571 YLHQYTAWFGRLBH-KRWDZBQOSA-N 391.475 3.745 0 40 GHAB CCN(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(N2CCN(C)CC2)cc1 13564231 GMSAYGHNSNKDBU-UHFFFAOYSA-N 390.531 3.615 0 40 GHAB COc1ccc2c(CC(=O)N[C@@H](Cc3ncc[nH]3)c3ccccc3)coc2c1 14491715 IKCCQCZOFJLXNB-IBGZPJMESA-N 375.428 3.807 0 40 GHAB NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccncc2)C1 19333522 NNDLQSRRMIZMOX-JOCHJYFZSA-N 377.513 3.730 0 40 GHAB CC1CCC(N2CCc3nc([C@@H]4CCCN4C(=O)C4CCC4)nc(O)c3C2)CC1 19495975 YZMSIZQOZDUXKP-LAGYLCCXSA-N 398.551 3.583 0 40 GHAB COc1ccc(Nc2ncccc2C(=O)NCCCN2CCC[C@H](C)C2)cc1 19496563 MKKZKFCMBPPWDV-KRWDZBQOSA-N 382.508 3.686 0 40 GHAB CCn1cnc2sc(C(=O)NCC(C)(C)c3ccc(F)cc3)c(C)c2c1=O 19717379 FMLVVZIPOVXTGL-UHFFFAOYSA-N 387.480 3.633 0 40 GHAB CCCC(=O)N1CC[C@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 19766158 VQDNULDRKOPXDH-AWEZNQCLSA-N 386.883 3.807 0 40 GHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccccc2Cl)C1=O 4308434 UXSRZPMXWYPXNT-IBGZPJMESA-N 376.815 3.715 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC(C(=O)NCc3ccccc3)CC2)c1 15032119 XOTTZWIARRDIKC-IBGZPJMESA-N 393.531 3.659 0 40 GHAB CSc1ccccc1NC(=O)N1CC2(C[C@@H](N3CCCCC3)CS2)C1 2056223904 GXYBBCHANKLBCW-OAHLLOKOSA-N 377.579 3.986 0 40 GHAB CC1CCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)CC1 2723379 GIPOUSJDPCXTSY-UHFFFAOYSA-N 395.575 3.802 0 40 GHAB COC(=O)c1ccc(C(=O)NC(=S)Nc2ccc3nc(C)sc3c2)cc1 4134995 WKJYDSLFFPVFOE-UHFFFAOYSA-N 385.470 3.518 0 40 GHAB Cc1ccccc1CSc1ncc(C(=O)Nc2ccc(F)cc2)c(=O)n1C 4376166 MTJHPAALKBHYAQ-UHFFFAOYSA-N 383.448 3.772 0 40 GHAB CCOc1ccc(C(=O)CSc2nccn(-c3ccc(C)cc3)c2=O)cc1 12415274 BJACVZQRFCSQEP-UHFFFAOYSA-N 380.469 3.915 0 40 GHAB CCCn1nc(C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)ccc1=O 40122687 GSMRSYXJBQACKF-UHFFFAOYSA-N 378.432 3.710 0 40 GHAB Cc1nn2c(=O)cc(CSc3nccn3-c3cccc(Cl)c3)nc2s1 40119308 KNWUGZGSEDJELD-UHFFFAOYSA-N 389.893 3.591 0 40 GHAB CCOc1ccc([C@H]2CCCN2C(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 31953574 QSHLSQADZVFZEW-HXUWFJFHSA-N 391.471 3.618 0 40 GHAB CC(=O)Nc1cccc(Nc2nnc(S[C@H](C)c3nc(C)no3)s2)c1 32779007 PWCKNXLQMOVYCG-MRVPVSSYSA-N 376.467 3.785 0 40 GHAB Cc1cc(C)n2ncc(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)c2n1 32795226 ZHXOXLPWUDRXNT-SFHVURJKSA-N 397.548 3.611 0 40 GHAB O=C(COc1ccccc1)Nc1nc(-c2ccc(Br)cc2)ns1 11916090 IFOHWTWQXCIENG-UHFFFAOYSA-N 390.262 3.985 0 40 GHAB CCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O 884003 FBLNFVFGNVPBBM-UHFFFAOYSA-N 395.528 3.742 0 40 GHAB COc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nnc1-c1ccco1 905300 HMHPVVPVNBPRJK-UHFFFAOYSA-N 386.477 3.543 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)c3ccccc3)cc2c1 1359309 QLHXIUVMJCRLBQ-OAQYLSRUSA-N 390.483 3.912 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc1C 33028425 QZWLCXVLKOSUPI-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)nc2n1 3430976 FFOCLAIMFAQYTC-SNVBAGLBSA-N 379.848 3.653 0 40 GHAB Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)cs2)no1 6681798 AENHEYSLSNKWMT-UHFFFAOYSA-N 391.474 3.714 0 40 GHAB COc1cccc(-c2nc(C(=O)NCCc3csc(C)n3)cs2)c1OC 22992359 HONVQNWGNZANGS-UHFFFAOYSA-N 389.502 3.565 0 40 GHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O 23199929 SNPYJFSOQPXXAM-AWEZNQCLSA-N 398.459 3.707 0 40 GHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O 23199926 SNPYJFSOQPXXAM-CQSZACIVSA-N 398.459 3.707 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)N[C@@H]1CCCOc2ccc(F)cc21 54783529 YQNDCDLNEPXGPL-QGZVFWFLSA-N 382.439 3.697 0 40 GHAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCCCn1ccc2ccccc21 12537027 IZLPRTZWHCJMKU-QHCPKHFHSA-N 391.515 3.531 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C)CC2)c1 24837872 CIRFBJJUBGWYBK-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB COc1ccc(N(CC(=O)c2ccc(OC)c(OC)c2)C2=NCCS2)cc1 26506051 ICBPQNXDSQHANB-UHFFFAOYSA-N 386.473 3.505 0 40 GHAB CCOc1ccc(NC(=O)CN2CC=C(c3ccc(O)cc3)CC2)cc1OCC 24986078 OFKHFICFDVSZFE-UHFFFAOYSA-N 396.487 3.917 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)CN1CCC([C@@H](O)c2ccccc2)CC1 24972471 OHZIGAYCHNPEIT-QHCPKHFHSA-N 384.495 3.620 0 40 GHAB O=c1oc2ccccc2c(NC2CCCC2)c1NS(=O)(=O)c1ccccc1 101094461 SMMBNLZSNSPXED-UHFFFAOYSA-N 384.457 3.948 0 40 GHAB Cc1cccc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@@H]2C)c1 1467515 QIUBBZIOZFIKGJ-SFHVURJKSA-N 384.487 3.839 0 40 GHAB Cc1ccc(C)c(SCC(=O)N[C@H](C)[C@@H](c2ccccc2)N2CCOCC2)c1 25337116 VDGZDNGPJSFVNO-XXBNENTESA-N 398.572 3.974 0 40 GHAB CCc1ccc([C@@H](NS(=O)(=O)c2ccc(CNC(C)=O)s2)C(C)C)cc1 26358861 NGULQLCRJQYHPW-IBGZPJMESA-N 394.562 3.622 0 40 GHAB CCN(C(=O)Cn1c(Nc2ccc(F)c(C)c2)nc(C)cc1=O)c1ccccc1 57507611 NQMGJQLJAUDDEQ-UHFFFAOYSA-N 394.450 3.796 0 40 GHAB Cc1cccc(C)c1-n1c(-c2ccccc2)cnc1S[C@@H](C)C(=O)NC(N)=O 23642542 URCJLSZWPKEBNT-HNNXBMFYSA-N 394.500 3.832 0 40 GHAB Cc1cc(CNC(=O)CCn2c(=O)oc3ccccc32)c2[nH]c(C)c(C)c2c1 58423820 YMGXPDLIAMRBCS-UHFFFAOYSA-N 377.444 3.708 0 40 GHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc2c(c1)OCO2 3350947 KCZNYOYVOIOUMJ-UHFFFAOYSA-N 375.380 3.664 0 40 GHAB CCN(Cc1cccs1)Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 26923741 JGXYNCGRUMWSGB-UHFFFAOYSA-N 390.509 3.691 0 40 GHAB CCCC[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1 20142175 UBVNPEANJCLKBS-QFIPXVFZSA-N 396.583 3.707 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 3354182 QBWZGDXRKRFKGV-UHFFFAOYSA-N 391.471 3.850 0 40 GHAB O=C(NCCc1cccc2cccnc12)c1ccc(OCC(F)(F)F)nc1 12757611 ZCKWZJKREYTJJD-UHFFFAOYSA-N 375.350 3.543 0 40 GHAB COC[C@H](C)n1c(C)cc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1C 11531306 COFKKIKEWXOFRC-ZDUSSCGKSA-N 387.871 3.502 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc1 11856560 SFOMSDHYKLDOLM-UHFFFAOYSA-N 393.395 3.648 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(C)c1 12864885 SBKDMWCESGQXJT-AWEZNQCLSA-N 398.937 3.810 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2C)cc1OC 12866123 LKADAVHMROYYSR-KRWDZBQOSA-N 375.490 3.846 0 40 GHAB Cn1cc(C(=O)Nc2ccc(F)c(F)c2)c(-c2ccc3c(c2)OCCCO3)n1 12855389 FHNJFAQVAOJKPO-UHFFFAOYSA-N 385.370 3.779 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12820868 VPZWXFVLTBIRKH-UHFFFAOYSA-N 385.349 3.949 0 40 GHAB COc1ccc(CCNC(=O)CSc2ccc(Br)cc2)cc1 3441632 NOEZQLHSJNYJKE-UHFFFAOYSA-N 380.307 3.909 0 40 GHAB CC(C)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1 8728227 QPFAHVRZKPKIKE-LJQANCHMSA-N 390.480 3.741 0 40 GHAB COc1ccc(Cl)cc1CN(C)C(=O)Cc1ccc(N2CCCC2=O)cc1 12915019 VONZQQZGIGAGQO-UHFFFAOYSA-N 386.879 3.677 0 40 GHAB COc1ccccc1C1=N/C(=C\c2cnn(Cc3ccccc3Cl)c2)C(=O)O1 12909134 UKDYFIIVCDCJHX-ZDLGFXPLSA-N 393.830 3.938 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(C)cc1 12912732 OSVUYNPCORROQU-HNNXBMFYSA-N 376.359 3.523 0 40 GHAB CC(C)(C)c1cccc(OCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)c1 13000716 OGJWVHZOZRGKSV-UHFFFAOYSA-N 379.453 3.544 0 40 GHAB CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1cc2c(cc1Cl)OCO2 22931795 GJLJSXFKTRYKIQ-SFHVURJKSA-N 387.911 3.950 0 40 GHAB CC(C)Cc1cc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)n(C)n1 64432910 CNSPAAKEWMZSDD-UHFFFAOYSA-N 386.496 3.986 0 40 GHAB COC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccc(Cl)cc1 8748119 LNOCZUSAADCYMU-CQSZACIVSA-N 399.855 3.783 0 40 GHAB CCCCc1ccc(C(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2C)cc1 6005579 XIWUSCMQTQSUEC-UHFFFAOYSA-N 388.485 3.781 0 40 GHAB COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)c1 5029403 VKJJASKRCJPGTG-INIZCTEOSA-N 380.322 3.726 0 40 GHAB CCCCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 13736343 NJFAGPCQYFHWTO-UONOGXRCSA-N 393.361 3.868 0 40 GHAB O=c1c2cc(Cl)ccc2ncn1C[C@@H](O)COc1cccc2ccccc12 14184134 DLOINQHNOXKCGQ-MRXNPFEDSA-N 380.831 3.643 0 40 GHAB C[C@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc2c(c1)OCCO2 6588955 KITHUMMNYQPSLA-ZDUSSCGKSA-N 383.835 3.830 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCSc2ccccc21 6652241 NHAWIIQHJXICIR-INIZCTEOSA-N 395.933 3.857 0 40 GHAB CCOc1cc(C(=O)OCC(=O)N[C@@H](C)c2ccco2)ccc1OCC(C)C 19317275 JZDBHSXONGUUOI-HNNXBMFYSA-N 389.448 3.747 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1C 4736280 VXUPUIVRSDGYBJ-UHFFFAOYSA-N 386.452 3.751 0 40 GHAB Cc1ccc(-c2nc(COC(=O)c3ccc(S(C)(=O)=O)cc3)cs2)cc1 5620582 CBZUUFOQWUOADX-UHFFFAOYSA-N 387.482 3.879 0 40 GHAB Cc1sc2nc(SCC(=O)NC3CC3)n(C3CCCC3)c(=O)c2c1C 5860956 IAFOCPYXPQZZAQ-UHFFFAOYSA-N 377.535 3.561 0 40 GHAB CC[C@H]1c2ccsc2CCN1Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 15547298 PDUOTVKBEZXHKG-HNNXBMFYSA-N 385.489 3.511 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)cc1 7509654 IPDIVWWXOQYENE-GUYCJALGSA-N 388.851 3.563 0 40 GHAB O=C(Nc1cc2c(cc1Br)OCCO2)C1C[C@@H]2CCC[C@H](C1)C2=O 16008712 KRSJUYVVJALTHQ-FOSCPWQOSA-N 394.265 3.554 0 40 GHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)C1 16016275 HOIJCTMASZIVPD-ZDUSSCGKSA-N 394.443 3.638 0 40 GHAB O=S(=O)(NCCc1ccc(OC(F)F)cc1)c1ccc2ccccc2c1 7701448 LGICJFQTRLZPTC-UHFFFAOYSA-N 377.412 3.962 0 40 GHAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NCc1ccc(Cl)cc1 16760404 WZKSQBIOUBMJDC-ZDUSSCGKSA-N 386.908 3.714 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)Cc1ccc(N2CCCC2=O)cc1 8266372 KPRCLWIEMZBBKE-UHFFFAOYSA-N 379.485 3.624 0 40 GHAB COc1ccc2c(CC(=O)NC[C@@H](c3ccco3)N3CCCCC3)coc2c1 8270788 JETMHXGANDONLZ-IBGZPJMESA-N 382.460 3.920 0 40 GHAB O=C(CN1CCC[C@H]1c1cccs1)NC1CCN(Cc2ccccc2)CC1 8341057 KTDMKRMUGHALRX-FQEVSTJZSA-N 383.561 3.666 0 40 GHAB CC(C)c1noc(CCC(=O)N2CCN(Cc3cccc4ccccc34)CC2)n1 71841993 ZXICCQSXECNRFN-UHFFFAOYSA-N 392.503 3.623 0 40 GHAB CCc1c(C(=O)Nc2cc(F)cc(F)c2)nnn1-c1ccc(OC(F)F)cc1 19911258 DQIZDCFXMJVXDS-UHFFFAOYSA-N 394.328 3.962 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1 72014174 YIQSXOPUNOXWQG-HOTGVXAUSA-N 376.928 3.739 0 40 GHAB FC(F)(F)c1ccc2oc(CN3CCN(Cc4ccccn4)CC3)nc2c1 84610039 SBALTKCGRQQTNH-UHFFFAOYSA-N 376.382 3.559 0 40 GHAB CCOc1cc2c(cc1NS(=O)(=O)c1c(F)cc(F)cc1F)O[C@@H](C)C2 84807820 YCBOZQLJJYCMRB-VIFPVBQESA-N 387.379 3.627 0 40 GHAB Cc1ccc(OCc2nn(CC(=O)N[C@@H](C)c3ccccc3)c(=S)o2)cc1 409168630 NICRXWISRAPRDL-HNNXBMFYSA-N 383.473 3.970 0 40 GHAB COCc1ccccc1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 28055423 FHPAZIJBYXCURY-UHFFFAOYSA-N 393.814 3.984 0 40 GHAB Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)oc2ccccc12 22830797 SVBJVESACDRYGM-UHFFFAOYSA-N 376.456 3.634 0 40 GHAB Cc1ccccc1CN1CCN(C(=O)c2ccc(CN3CCCCC3)o2)CC1 28229455 VLNFECFURUVJAB-UHFFFAOYSA-N 381.520 3.532 0 40 GHAB CCCCN(CC)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CCCC 67238353 FIPJVWUXKBJPJL-UHFFFAOYSA-N 378.542 3.574 0 40 GHAB CC(C)COc1ccc(NC(=O)C(=O)NCc2ccccc2OC(C)C)cc1 408709237 QKGMGJPDBOJCPI-UHFFFAOYSA-N 384.476 3.764 0 40 GHAB O[C@H](COc1ccc(Cl)cc1)CN1CCN(c2ccccc2Cl)CC1 30350634 VXQKHWGXBIDUGR-INIZCTEOSA-N 381.303 3.555 0 40 GHAB Cc1ccc(-n2ncc(C(=O)NC[C@H]3CCN(C4CC4)C3)c2C2CC2)cc1Cl 517494032 PMMOASZFBKNNAX-OAHLLOKOSA-N 398.938 3.926 0 40 GHAB COc1ccc(F)cc1CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1 30226989 JCMHVJXMABQSOU-UHFFFAOYSA-N 380.822 3.585 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(F)cc1 33795577 VMRKCBACJGRXMY-SFHVURJKSA-N 388.439 3.874 0 40 GHAB CCC[C@@H](C)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)O 217617327 UHDYMTZXTYDDIL-OAHLLOKOSA-N 390.505 3.506 0 40 GHAB COc1ccc(-c2cc(CNC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)no2)cc1 36662367 YGSFPYNVOOVULA-UHFFFAOYSA-N 392.390 3.809 0 40 GHAB CC[C@@H](Sc1nnc2cc(C)c3ccccc3n12)C(=O)Nc1cc(C)on1 32837580 MTRUVGPNIUJCGY-OAHLLOKOSA-N 381.461 3.997 0 40 GHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219323583 JDPZJJWKLMIJMX-INIZCTEOSA-N 393.867 3.840 0 40 GHAB CCc1ncc(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 72360415 XFADNFRPFHFMMM-QGZVFWFLSA-N 395.536 3.983 0 40 GHAB COc1ccc(OC(F)F)c(NC(=O)N2CCN(c3cccc(C)c3)CC2)c1 40120573 SYYBBXSWYRKCRG-UHFFFAOYSA-N 391.418 3.959 0 40 GHAB CCc1nc2cccnc2n1[C@@H]1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1 72366016 IXHQIIMMJUCYFT-OAHLLOKOSA-N 389.459 3.571 0 40 GHAB C[C@H](NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1)c1ccccc1 46057981 YYSVDXOJKZZJDS-ZDUSSCGKSA-N 388.514 3.788 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnc(N3CCCC3)c(C)c2)cc1 72218809 QBLFSAOAUCLTPP-HXUWFJFHSA-N 385.533 3.824 0 40 GHAB COC(=O)c1cn(S(=O)(=O)c2ccc(OC)c(C(C)C)c2)c2ccccc12 222627949 LKJBWBRURXIBPN-UHFFFAOYSA-N 387.457 3.797 0 40 GHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 223063315 FOMGXIHYIZRJNX-GOSISDBHSA-N 396.531 3.960 0 40 GHAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc[nH]2)N1CCCNc1ccccc1 225034710 LNBXIOJXIDFQBZ-PMACEKPBSA-N 377.517 3.884 0 40 GHAB COc1cc(NC(=O)NC[C@H](c2cccs2)N(C)C)c(OC)cc1Cl 43449665 QJIQKJHWBOJXOG-CYBMUJFWSA-N 383.901 3.843 0 40 GHAB COc1cccc(OC)c1C(=O)NCCNc1ccnc2cc(Cl)ccc12 222957963 RCVFORPQPNBZJE-UHFFFAOYSA-N 385.851 3.747 0 40 GHAB CCN(c1ccc(C(=O)NCc2cccc3ccccc23)cc1)S(C)(=O)=O 222861828 BJHNRRLHFHKSTR-UHFFFAOYSA-N 382.485 3.556 0 40 GHAB CCCS(=O)(=O)Nc1ccc(-c2ccc(NS(=O)(=O)CCC)cc2)cc1 226859369 YZCADALUDYLPGU-UHFFFAOYSA-N 396.534 3.657 0 40 GHAB COc1ccc([C@@H]2NC(=O)N(Cc3ccc(-c4csc(C)n4)s3)C2=O)cc1 583789336 XOLAGGPXNYCRKI-KRWDZBQOSA-N 399.497 3.982 0 40 GHAB CC[C@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 95482352 GUILGUHALSYLLP-SFHVURJKSA-N 395.459 3.870 0 40 GHAB CC(C)Oc1ccc(N2C[C@H](C(=O)NCc3ccccc3Cl)CC2=O)cc1 243339553 LSBGEISLNJTONO-MRXNPFEDSA-N 386.879 3.797 0 40 GHAB O=C(CCCc1ccc2nc(O)[nH]c2c1)N1CCC[C@H]1COc1ccc(F)cc1 585080270 WZOJBTGWBSJGFZ-KRWDZBQOSA-N 397.450 3.800 0 40 GHAB Cc1nc(-c2c(C)noc2C)cc([C@H]2CCCN2C(=O)c2ncccc2C)n1 257240453 HTOGGVVVEYSAMF-GOSISDBHSA-N 377.448 3.738 0 40 GHAB O=C(/C=C\c1ccc2c(c1)OCO2)N1CC[C@H](c2noc(-c3ccsc3)n2)C1 253474878 LKUYBXRMNRSXRQ-XBPVQUQDSA-N 395.440 3.556 0 40 GHAB O=C(Nc1cccc(OCCN2CCCC2)c1)c1n[nH]c2c1CCCCCC2 257230416 GCFHHZFNVQKZJW-UHFFFAOYSA-N 382.508 3.796 0 40 GHAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)N[C@@H]1C[C@H]2CC[C@H]1C2 250893467 XZXQTFIVJFVWLT-COPLHBTASA-N 385.455 3.771 0 40 GHAB C[C@H]1CCCCN1CCOc1ccccc1C(=O)Nc1ccc2c(c1)CC(=O)N2 603690987 HFXSQSRMXHSUOC-INIZCTEOSA-N 393.487 3.687 0 40 GHAB CC1(C)CN(C(=O)c2ncn(C(C)(C)C)n2)c2ccc(Br)cc2O1 622987245 XIBQVFWMAVQUHF-UHFFFAOYSA-N 393.285 3.613 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2cc(C(F)(F)F)cnc2O)N2CCCC2)cc1 635454518 XBGDAQBOYSGGCJ-QGZVFWFLSA-N 393.409 3.681 0 40 GHAB COc1cc(CNC(=O)N2CCO[C@](C)(C3CC3)C2)ccc1OC1CCCC1 1616044018 FMAVIBNBEDLMRS-QFIPXVFZSA-N 388.508 3.727 0 40 GHAB O=C(NCC1(c2ccccc2)CCCC1)C(=O)Nc1cnc2c(F)cccc2c1 657516251 UKOUKNWXOWLBEY-UHFFFAOYSA-N 391.446 3.941 0 40 GHAB O=C(CCc1nc(-c2cc(Br)cs2)no1)Nc1cccnc1 52979334 CNVKOJRDIFNCIC-UHFFFAOYSA-N 379.239 3.527 0 40 GHAB O=C(CSc1nnc(C2CC2)n1Cc1ccco1)c1ccc2c(c1)OCCO2 36801875 KDZWMNSMMSDTBM-UHFFFAOYSA-N 397.456 3.543 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)NC[C@](C)(O)C(F)(F)F)cc1C 95445083 GKAJHHRIVTZIED-IBGZPJMESA-N 379.378 3.578 0 40 GHAB COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)cc1 876794 OZTAIKIDUBTNPO-GYHWCHFESA-N 390.395 3.902 0 40 GHAB COCCn1c(SCc2ccc(F)cc2)nc2c([nH]c3ccccc32)c1=O 5106670 URUOICSVXPMYTQ-UHFFFAOYSA-N 383.448 3.956 0 40 GHAB Cc1ccccc1[C@@H](NC(=O)c1cnc(N2CCCC2)nc1C)c1ccncc1 12148506 ZCGHOUSWJXZKSH-NRFANRHFSA-N 387.487 3.608 0 40 GHAB CC[C@@H](C(=O)Nc1cc(Cl)ccc1C)N(c1ccccc1)S(C)(=O)=O 13711254 OPIWJLXEPJMWDW-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB O=C(Cn1nc(-c2ccccc2)n(-n2cccc2)c1=S)Nc1ccccc1 16806984 JEOGWHHEZRKCJE-UHFFFAOYSA-N 375.457 3.833 0 40 GHAB COc1cccc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C(C)=O)c1 19017762 SINYLIBUCLYNKX-DNVJHFABSA-N 382.479 3.813 0 40 GHAB Cc1ccccc1-n1nc(C)c(CC(=O)N2CCCC[C@@H]2CN2CCCC2)c1C 19237566 ZCLSWGGHQOEZGM-OAQYLSRUSA-N 394.563 3.817 0 40 GHAB Cc1ncc(-c2ccncc2)c(CN(Cc2ccccc2)C(=O)[C@H]2CCCO2)n1 19286994 RLMCBXVSJNUOKQ-JOCHJYFZSA-N 388.471 3.555 0 40 GHAB O=C(c1ccn(C(F)F)n1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 19345746 UQFIMIXZQNEPHO-UHFFFAOYSA-N 377.391 3.982 0 40 GHAB Cc1cnc(C(=O)N2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)cn1 19692619 DBNXTQJDZXDBHZ-FQEVSTJZSA-N 394.862 3.714 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1F 152702295 KICVBGDYLFLQML-UHFFFAOYSA-N 399.856 3.807 0 40 GHAB CCC(CC)(NC(=O)[C@@H]1CC[C@@H](C(=O)O)NC1)c1ccc(Cl)c(Cl)c1 630683224 HLTOWJPRIISYNG-ABAIWWIYSA-N 387.307 3.578 0 40 GHAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)C1(c2cccc(F)c2)CCCC1 12141979 YICGCLJPWVUFMI-OAHLLOKOSA-N 382.435 3.750 0 40 GHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)c2c(C)cc(C)n(C)c2=O)n1 12227908 NKZACRWPZJQENX-OAHLLOKOSA-N 387.530 3.542 0 40 GHAB O=C(CCc1cc(Cl)no1)NC1CCN(CC2(c3ccccc3)CC2)CC1 12337255 MAPUNNNXTDKQPH-UHFFFAOYSA-N 387.911 3.573 0 40 GHAB COc1cc(-c2noc(CN3CCCc4occc4C3)n2)cc(Cl)c1OC 585083959 YYLUMPLZYIHJQP-UHFFFAOYSA-N 389.839 3.949 0 40 GHAB COc1cc(F)c(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1OC 26529291 HGDIXIAHYCZNFH-UHFFFAOYSA-N 394.468 3.634 0 40 GHAB Cc1cc(N2CCN(Cc3ccccc3Br)CC2)nc(C(C)C)n1 27545320 NBGRRTZSVWNYSA-UHFFFAOYSA-N 389.341 3.993 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)COc1ccc(Oc2ccccn2)cc1 29439059 LVIBHMRVFHCPQB-UHFFFAOYSA-N 391.471 3.631 0 40 GHAB CCCCOc1ccc(C(=O)Nc2nnc(SCC(=O)OCC)s2)cc1 4078390 JZMAXKXMVATXKJ-UHFFFAOYSA-N 395.506 3.625 0 40 GHAB Cc1ccc(-n2nnc3c(=O)n(Cc4ccc(Cl)c(Cl)c4)cnc32)cc1 4266777 JQMUQDNLTMHCBS-UHFFFAOYSA-N 386.242 3.641 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c(OC)c1 5136389 KPPNAJHUEQZWSR-UHFFFAOYSA-N 382.460 3.891 0 40 GHAB O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NC1CCCC1 8865127 KKCLAGCAPGFOLT-UHFFFAOYSA-N 382.485 3.533 0 40 GHAB COc1cccc(C(=O)Nc2nnc(-c3cc4cccc(OC)c4o3)o2)c1OC 9167466 FZMWGRZLPTVOED-UHFFFAOYSA-N 395.371 3.761 0 40 GHAB CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cccs2)n1 12007909 PRILLJGFYYVIDM-UHFFFAOYSA-N 395.444 3.653 0 40 GHAB O=C(Cc1ccc(F)cc1)NC[C@H](c1cccc2ccccc12)N1CCOCC1 23106416 WHGPEQPNPHPTJB-HSZRJFAPSA-N 392.474 3.711 0 40 GHAB O=C1NC2(CCN(Cc3c(F)cccc3Cl)CC2)N=C1c1cccc(F)c1 35430953 DVCQAHGTEMGUSL-UHFFFAOYSA-N 389.833 3.529 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2c(F)cccc2F)c(C(=O)OCC)c1C 944319 JZWRQCFDUNVHDJ-UHFFFAOYSA-N 397.399 3.940 0 40 GHAB O=C(/C=C/c1ccco1)NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O 6251507 GAFLTQZLIGWWCS-ONEGZZNKSA-N 385.228 3.811 0 40 GHAB CCOc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(C)n1 12226247 KZYHHNRDUHEDGH-UHFFFAOYSA-N 384.461 3.728 0 40 GHAB Cc1c(O)ccc2c(CN3CCN(C/C=C/c4ccccc4)CC3)cc(=O)oc12 20533464 NFMZMZWHQXXIGM-VMPITWQZSA-N 390.483 3.638 0 40 GHAB CSc1nccn1-c1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1 40141423 ABZKJMXIMXXVOA-UHFFFAOYSA-N 392.484 3.756 0 40 GHAB Cc1cc2oc(C(=O)NC[C@H](c3ccco3)N3CCOCC3)c(C)c2cc1C 20646792 KJAURASBYIQOLX-GOSISDBHSA-N 382.460 3.754 0 40 GHAB CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 37149231 FDYHDXMRZJDVSH-KBXCAEBGSA-N 394.924 3.520 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(C)n2Cc2ccccc2)cc1 899785 SJORCDKEFVVAQL-HNNXBMFYSA-N 394.500 3.957 0 40 GHAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC(C)C)ccc2Cl)c1 1008745 XXMNOTKSRCQAGR-UHFFFAOYSA-N 380.897 3.896 0 40 GHAB CCN1CCN(c2ccccc2NS(=O)(=O)c2cc(Cl)ccc2C)CC1 46799228 XRHJFQYTIFFTDS-UHFFFAOYSA-N 393.940 3.591 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)NC1(c2nc(C3CC3)no2)CCCCC1 77197397 GFCSXKYQOBDVBM-UHFFFAOYSA-N 384.436 3.699 0 40 GHAB COc1ccccc1[C@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)N(C)C 21805569 QPWMXOJQFUODPL-IBGZPJMESA-N 379.460 3.691 0 40 GHAB COc1cc(CC2CN(C(=O)Nc3cc(F)c(OC)c(F)c3)C2)cc(OC)c1 79054155 NCRDYBZPAXTMHB-UHFFFAOYSA-N 392.402 3.697 0 40 GHAB Cc1ccc(-c2cnn(CC(=O)Nc3cc(Cl)ccc3Cl)c(=O)n2)cc1 33324562 YTFWJKOLNQRNCV-UHFFFAOYSA-N 389.242 3.559 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 6471420 JGEZTJIXOXFIEG-UHFFFAOYSA-N 392.908 3.688 0 40 GHAB Cc1nn(C(=O)Cc2ccccc2)c2c1[C@H](c1ccc(O)cc1)SC(=N)N2 6483904 KZIIHHQRCNRCIL-SFHVURJKSA-N 378.457 3.963 0 40 GHAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(C)c2)C1=O 6654525 VVMFWDLQLSMQPF-ATVHPVEESA-N 390.505 3.689 0 40 GHAB CNc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)oc2ccccc12 6784670 HIXGYLRNZJJRSP-UHFFFAOYSA-N 386.473 3.933 0 40 GHAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 7389375 MQVVYQZKIIHBQH-UHFFFAOYSA-N 396.487 3.860 0 40 GHAB CC(=O)N1CCc2cc(NS(=O)(=O)c3cccc(Cl)c3Cl)ccc21 22274516 JZXSEJDSMQRNQN-UHFFFAOYSA-N 385.272 3.703 0 40 GHAB O=C(NCCC1=CCCCC1)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195298 SPDFLJQDEZDTOW-UHFFFAOYSA-N 396.940 3.890 0 40 GHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 8041119 FNZKCSBADKLVOD-QZTJIDSGSA-N 396.487 3.618 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2cccc(Cl)c2)cc1C 8336414 FIPKXMQYXJFMRX-UHFFFAOYSA-N 385.938 3.869 0 40 GHAB Cc1ccc(NC(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 8369079 YDGJAEMVGLRYGB-UHFFFAOYSA-N 387.288 3.527 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)c(C)c1 8417061 ZYYUAEGVDKYAGD-UHFFFAOYSA-N 386.423 3.733 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(N2CCCC2)n1C1CC1 8708193 QQCZCZJXOBCQBA-UHFFFAOYSA-N 381.505 3.978 0 40 GHAB CC(C)c1ccc(CN2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 22771404 SVSIKNZVGMHZBI-SFHVURJKSA-N 390.531 3.925 0 40 GHAB CCC[C@H](NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 22804776 MDIWAWXOYHFLLI-JEAXJQIYSA-N 391.559 3.975 0 40 GHAB O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)C1CCOCC1 23150424 IGDZQOYPPFNYKH-UHFFFAOYSA-N 394.880 3.506 0 40 GHAB COc1ccccc1CCNC(=O)Cn1ccc2cc(Br)ccc21 20714585 VYJIVEFTAVVNQT-UHFFFAOYSA-N 387.277 3.771 0 40 GHAB CC(C)c1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 24774980 ZUGCVGJVRSSSQO-UHFFFAOYSA-N 396.487 3.772 0 40 GHAB COc1ccc(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)c(OC)c1 9876942 GYIPCIAURGPPBJ-UHFFFAOYSA-N 385.533 3.840 0 40 GHAB CCOc1ccccc1OC1CCN(C(=O)c2cn3c(C)cccc3n2)CC1 55622969 PCNYFXZMMOERMN-UHFFFAOYSA-N 379.460 3.725 0 40 GHAB COc1ccc(COC[C@@H](O)CN(C)[C@H](C)c2ccc(F)c(F)c2)cc1OC 34889301 RKWYQOQBMDMBII-PBHICJAKSA-N 395.446 3.553 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 20493911 ZGQQEVMPZUSPFZ-QGZVFWFLSA-N 377.824 3.931 0 40 GHAB CCCc1nnc2sc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)nn12 20609681 MKJMNWGNYRFTHF-UHFFFAOYSA-N 399.501 3.606 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCN3C(C)=O)cc1Cl 12561587 NRUSIABUSGNARC-LBPRGKRZSA-N 387.867 3.697 0 40 GHAB Cc1c(F)cc(C(N)=O)cc1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 44753373 DAZDKLDWMPHLKE-UHFFFAOYSA-N 398.463 3.984 0 40 GHAB O=C1c2ccccc2N[C@@H](c2cn3ccccc3n2)N1Cc1ccc2c(c1)OCO2 58159040 NVCIKUGCUWXAHE-JOCHJYFZSA-N 398.422 3.830 0 40 GHAB CSCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 12604323 IHIDCEQUBYNRAL-UHFFFAOYSA-N 391.399 3.860 0 40 GHAB CSc1nc(C(=O)Nc2cccc(Oc3cnccn3)c2)c2ccccn12 48235154 NROPNYKEUXYASL-UHFFFAOYSA-N 377.429 3.891 0 40 GHAB O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F 2200047 DCJGDEOWDOHKMS-UHFFFAOYSA-N 377.410 3.856 0 40 GHAB Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N(C)C)cc(=O)c2cc1Cl 28289506 CHINQASPCHWXLK-CQSZACIVSA-N 390.892 3.849 0 40 GHAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 20104499 AQKQUHCGXUCAAB-UHFFFAOYSA-N 380.469 3.977 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@H]3C)c12 45682736 IPSFXOSQTMWAQA-BETUJISGSA-N 397.431 3.738 0 40 GHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1noc(C(C)(C)C)n1 45810071 AGBLLPNOCZXUQH-UHFFFAOYSA-N 384.402 3.635 0 40 GHAB C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12770013 UZZLZKQXTIVEFN-HUUCEWRRSA-N 387.430 3.643 0 40 GHAB Cc1nc(CSCCC(=O)NCc2ccc(N3CCCCC3)nc2)cs1 48362819 ZXXVPMFEOLWOON-UHFFFAOYSA-N 390.578 3.777 0 40 GHAB COc1ccc2c(=O)c(C(=O)Nc3nc(C)c(-c4ccccn4)s3)c[nH]c2c1 48332064 GSTUIAYYTFPJAI-UHFFFAOYSA-N 392.440 3.616 0 40 GHAB Cc1cc(-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)o2)no1 8771635 LQLPVQJPCQOOIO-UHFFFAOYSA-N 399.457 3.887 0 40 GHAB O=C(Nc1ccccn1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 8729031 ADMMHWWQJUZGRY-UHFFFAOYSA-N 377.366 3.591 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(C[C@@H]1CCCO1)C3=O 5252395 QMDYBWPLWCDYNP-XOBRGWDASA-N 393.414 3.965 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(Br)ccc1O 14069988 FLYVDEVKQIKOKD-UHFFFAOYSA-N 397.656 3.519 0 40 GHAB O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 65575696 JKDKORISJHPGRD-OAHLLOKOSA-N 390.505 3.596 0 40 GHAB Cc1sc2ncn(CC(=O)c3cc(C)n(CC(F)(F)F)c3C)c(=O)c2c1C 5319478 MCIGAGGDXAKMDD-UHFFFAOYSA-N 397.422 3.938 0 40 GHAB Cc1nc(SCC(=O)OCc2cccc(Cl)c2)c(C(N)=O)c(C)c1C 14244239 MXDUQGORONTZEU-UHFFFAOYSA-N 378.881 3.595 0 40 GHAB CCn1nc(C)c2c(C(=O)Nc3cc(C)nn3Cc3ccccc3)cc(C)nc21 28246853 NBIFZZOGUQZOBB-UHFFFAOYSA-N 388.475 3.874 0 40 GHAB Cc1ccc(NC(=O)CN(c2ccncc2)S(=O)(=O)c2ccccc2)cc1C 6831729 FTQQRNXENGHXCB-UHFFFAOYSA-N 395.484 3.532 0 40 GHAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1ccccc1N1CCOCC1 15038425 PROMZUQWTVVZIS-INIZCTEOSA-N 387.911 3.636 0 40 GHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)OC/C=C/c1ccccc1 5919294 KOQKIDRAJOPEOJ-RMKNXTFCSA-N 379.437 3.605 0 40 GHAB CCn1nnc(NCc2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)n1 15356939 VNAKVCKIBOFHET-UHFFFAOYSA-N 387.871 3.855 0 40 GHAB O=C(COc1cccc(N2CCCC2=O)c1)N1CCC(Cc2ccccc2)CC1 7063803 HTVGUMXRZAFITQ-UHFFFAOYSA-N 392.499 3.674 0 40 GHAB Cc1nc(-c2cccc(NC(=O)Cc3csc(N4CCCC4=O)n3)c2)cs1 9217713 TXXXWSLEPCOJFK-UHFFFAOYSA-N 398.513 3.883 0 40 GHAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc21 15867540 WRBWVQYLNZCBSQ-UHFFFAOYSA-N 385.489 3.811 0 40 GHAB C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccccn1 7979451 FQWZWGHONOQJAQ-QGZVFWFLSA-N 386.455 3.888 0 40 GHAB O=C(CSCc1cccc(Cl)c1)OCc1nc2ccsc2c(=O)[nH]1 8013441 FUXGMKSNRFOONA-UHFFFAOYSA-N 380.878 3.615 0 40 GHAB COc1ccc(C2=NN(C(=O)CN(C)Cc3ccco3)[C@@H](c3ccco3)C2)cc1 8197748 QAUQRZLJMUSIPF-HXUWFJFHSA-N 393.443 3.691 0 40 GHAB Cc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 16750951 GJCUWTNNMLFWHK-OXJNMPFZSA-N 393.414 3.965 0 40 GHAB COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1Cn1cccn1 17080182 NARQLVWQIOHFKD-UHFFFAOYSA-N 392.484 3.784 0 40 GHAB CC(=O)c1ccc(OCCCC(=O)OCc2nc(-c3ccccc3)no2)cc1 9550097 RUDOMJDOWYGDAM-UHFFFAOYSA-N 380.400 3.842 0 40 GHAB Fc1cccc(-c2nnc3sc(-c4cncc(Br)c4)nn23)c1 9531787 XAXPUBKYLDEEIM-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB Cc1ncc(CNCC(C)C)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc12 95480681 ACVZOTYBUZBWEQ-UHFFFAOYSA-N 380.444 3.884 0 40 GHAB Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)NCCc1nc2ccccc2[nH]1 95476087 GOZFINBBLRXWQU-UHFFFAOYSA-N 393.878 3.816 0 40 GHAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2C)cc1 20152853 OJWRETQYVANWCN-UHFFFAOYSA-N 386.473 3.999 0 40 GHAB O=C(C1CC=CC1)N1Cc2ccccc2[C@@H](c2nccn2Cc2cccnc2)C1 306126910 FIPBTRQPTOZHOU-QFIPXVFZSA-N 384.483 3.767 0 40 GHAB CS(=O)(=O)C1(CNC(=O)c2ccccc2Sc2ccccc2)CCCC1 553572371 CHAMVTRCENZEBT-UHFFFAOYSA-N 389.542 3.925 0 40 GHAB COCc1nnc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)s1 31810230 PRPIDAIIWSRDSW-UHFFFAOYSA-N 378.457 3.940 0 40 GHAB CC(C)n1cnc2nc(CSc3ccccc3NC(=O)C(C)(C)C)cc(=O)n21 33014308 OSDZUYFPCMCNFL-UHFFFAOYSA-N 399.520 3.749 0 40 GHAB Cc1cc2nc(CSc3ccc(NC(=O)c4ccco4)cc3)cc(=O)n2o1 35429497 IPHUVNKFDJOHKU-UHFFFAOYSA-N 381.413 3.734 0 40 GHAB CN(C)c1nn(CC(=O)Nc2ccc3c(c2)OCO3)cc1-c1ccc(Cl)cc1 62007004 LBGHXECDRDVFCF-UHFFFAOYSA-N 398.850 3.637 0 40 GHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 219600425 IEJNCQMADGWNBQ-IBGZPJMESA-N 395.459 3.870 0 40 GHAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1O 214229292 HBFHQSPJXGWSHU-CXUHLZMHSA-N 389.404 3.785 0 40 GHAB CN1CCC(C(=O)N2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)CC1 72350378 NOXCEPLEJUAXIS-IBGZPJMESA-N 381.495 3.936 0 40 GHAB CCN1CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)[C@H](C)C1 561157367 KWMJHHVJHRJMSV-OAHLLOKOSA-N 397.544 3.655 0 40 GHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCN(c3ccccc3)CC1)C2 35075054 JQRIJBVNFRDMPG-FMRHZRETSA-N 386.580 3.791 0 40 GHAB CCc1cccc(C)c1NC(=O)COc1cc(C)nc(N2CCC[C@@H](C)C2)n1 44168415 DSWGQOPSXSUADO-OAHLLOKOSA-N 382.508 3.910 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC)c1ccccc1C 225698771 HQVVIOWRLOHDTG-MRXNPFEDSA-N 390.530 3.821 0 40 GHAB C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)C1 525164529 OTZMEYGNQIUBQF-XOBRGWDASA-N 391.446 3.705 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1ccc(C)cc1I 225010502 QTNXLIKJXSWFFX-UHFFFAOYSA-N 395.196 3.639 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1F 222936038 ZKKBPALAPKCTJZ-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB CCc1cccc(CC)c1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 223348628 GUYKNSSMRCSLQI-UHFFFAOYSA-N 394.880 3.711 0 40 GHAB COc1ccc(Cl)c(NS(=O)(=O)c2cccc(Br)c2)c1 43319113 CZQLKWFRIZEFQR-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB CC(C)(C)CC(C)(C)NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224147419 JZJMRZXDFIQIBD-UHFFFAOYSA-N 386.533 3.703 0 40 GHAB CS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1ccc(-c2ccccc2)cc1 96519709 QEJSOYSWGAGFPY-CABCVRRESA-N 389.698 3.719 0 40 GHAB Cc1sc(C(=O)O)cc1CN1C[C@@H](COc2ccccc2)OC(C)(C)C1 578524819 SPPJBKJUDXHNLU-KRWDZBQOSA-N 375.490 3.813 0 40 GHAB CCOC(=O)c1nc(NC(=O)c2ccccn2)sc1-c1ccc(OC)cc1 96343506 BSONBNBCORVSSL-UHFFFAOYSA-N 383.429 3.643 0 40 GHAB Cc1n[nH]cc1C(=O)N1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 257306296 STSJSNPVEWLMHN-HXUWFJFHSA-N 396.878 3.571 0 40 GHAB Cc1nccc([C@H]2CN(Cc3ccc(-c4ccccc4C(=O)O)cc3)CCO2)n1 257257953 KRTCHZPSBBLCGH-JOCHJYFZSA-N 389.455 3.724 0 40 GHAB Cc1ccc(C)n1-n1c(CN2CCCC[C@@H]2C)nnc1CN1CCCC[C@H]1C 260572039 GOIHVKYYGGDWPC-HDICACEKSA-N 384.572 3.757 0 40 GHAB O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N[C@]12CCC[C@@H]1C2 663753492 KCWPLOBMSMAIDT-APWZRJJASA-N 381.442 3.912 0 40 GHAB Cc1ncn(-c2ccc(NC(=O)CNC(=O)c3ccccc3Cl)cc2)c1C 1637936917 OQBAAZWWIHDENQ-UHFFFAOYSA-N 382.851 3.511 0 40 GHAB C[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 622766422 ZAQDWARZISVTOY-RBDMOPTHSA-N 379.504 3.814 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2cnc(C3CC3)o2)CC1 628371177 DGFFNQQTDHGAAC-UHFFFAOYSA-N 394.397 3.921 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc(N3CC[C@@H](OC)C3)cc2)c(OC)c1 96122248 DAFITALYLCMTMZ-HXUWFJFHSA-N 384.476 3.500 0 40 GHAB O=C(NC[C@H](C[C@@H]1CCOC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 685944992 NFNSQJCGCBLTDW-HOTGVXAUSA-N 395.455 3.653 0 40 GHAB CCCn1cc(NC(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)ccc1=O 56080121 QWLLZIPAGMJVFP-INIZCTEOSA-N 394.258 3.697 0 40 GHAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC 12116157 NJYUDTMHNVAKQR-GOSISDBHSA-N 379.460 3.876 0 40 GHAB Cc1cc(C)c(C(=O)N[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)c(=O)[nH]1 12228118 OGGZXFYRWAXTMR-HNNXBMFYSA-N 387.530 3.840 0 40 GHAB Cc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCC4)c2)no1 12344447 WZDDOPSSKCQYJW-UHFFFAOYSA-N 397.456 3.525 0 40 GHAB COc1ccc(-c2ncc(CN[C@@H]3CCC[C@H]3Cc3cc(C)no3)cn2)cc1 12366548 NSRVMJDPLWQYJI-GHTZIAJQSA-N 378.476 3.950 0 40 GHAB CCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1c[nH]c3ccccc13)CC2 14541325 VUIATBMVEIIXMI-UHFFFAOYSA-N 378.476 3.509 0 40 GHAB Cc1nn(Cc2c(F)cccc2Cl)c(C)c1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 17079179 NZCJMZNBLGLGAI-ZIAGYGMSSA-N 387.842 3.796 0 40 GHAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cccc(Cl)c3)cc21 17316297 RALWRUZHEPBKSP-UHFFFAOYSA-N 378.881 3.695 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1 18282861 UEELNKUVRSLMNQ-XFKLWTPLSA-N 390.911 3.670 0 40 GHAB CCc1nn2c(NCCCN3CCCC3=O)cc(C)nc2c1-c1ccc(F)cc1 19521365 IQQVYVCOHSNKKF-UHFFFAOYSA-N 395.482 3.831 0 40 GHAB CC(C)NC(=O)c1cccnc1[C@H]1CCCN(C(=O)CCc2ccccc2F)C1 19709318 SIOKXUXVXTUSNW-SFHVURJKSA-N 397.494 3.698 0 40 GHAB Cc1cc(NC(=O)c2cccc(Br)c2)cc2sc(NN)nc12 226310244 OTJBCVPWIIQOGY-UHFFFAOYSA-N 377.267 3.905 0 40 GHAB COc1ccccc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19568903 MJEFKPWGKWWRMQ-VWPQPMDRSA-N 382.479 3.975 0 40 GHAB O=C(c1cnn2ccccc12)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 679176839 JSKRLXWVPJFMNR-MRXNPFEDSA-N 378.480 3.520 0 40 GHAB O=C([C@H]1CCCN(Cc2csc(C3CCCC3)n2)C1)N1CCSCC1 1889130285 SCRNRSITEWTICH-INIZCTEOSA-N 379.595 3.588 0 40 GHAB CN(CCOc1ccccc1Cl)C(=O)c1ccc2c(c1)NC(=O)CCS2 24391087 XQBXUFVOHFYHEL-UHFFFAOYSA-N 390.892 3.925 0 40 GHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21 8840540 RPPNLSLTSBMLTF-UHFFFAOYSA-N 378.881 3.830 0 40 GHAB O=C(Nc1ccc(Cl)cc1)Nc1nc(C(=O)NCc2ccccn2)cs1 8979942 XXPQSMQISILQNU-UHFFFAOYSA-N 387.852 3.766 0 40 GHAB COc1ccc(C(=O)NC[C@H](c2cccc3ccccc23)N(C)C)cc1OC 10330509 VWSQJLGXJXQJQF-HXUWFJFHSA-N 378.472 3.890 0 40 GHAB CN(C)[C@@H](CNS(=O)(=O)CCc1ccccc1)c1cccc2ccccc12 10335551 NATBYRLTHIUFEX-QFIPXVFZSA-N 382.529 3.605 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CC2 13696520 WNQABFPENNZOOE-UHFFFAOYSA-N 390.480 3.870 0 40 GHAB C[C@@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)N1CCN(C)CC1 22460017 CBSHKRGBEYFKGH-RDTXWAMCSA-N 377.941 3.509 0 40 GHAB COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccc3ncsc3c1)n2C 100823952 ORVFPSLVXUAAOZ-ZZEZOPTASA-N 385.470 3.608 0 40 GHAB CCn1cc([C@@H](NC(=O)[C@@H](N)CC(C)C)c2ccc(F)cc2)c2ccncc21 19524809 APMNGZJCEGBCIP-FPOVZHCZSA-N 382.483 3.774 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(N2CCOCC2)c(Cl)c1 96136881 UFRCPSNCELUOSV-MDWZMJQESA-N 378.881 3.589 0 40 GHAB NC(=O)c1ccc(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 22830774 BSZPDYCRVYWUKY-UHFFFAOYSA-N 391.437 3.512 0 40 GHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)c(OC)c1 40107127 GNGVAHDJZAYRNY-GOSISDBHSA-N 396.531 3.795 0 40 GHAB O=C(CCS(=O)(=O)C1CCCC1)NCc1cccc(Oc2ccccc2)c1 40134252 IKGLJYYXAUFVAO-UHFFFAOYSA-N 387.501 3.843 0 40 GHAB O=C1[C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1Cl 101255901 UZXCAPZPXOVTTR-DOMZBBRYSA-N 395.629 3.939 0 40 GHAB CC(C)(c1ccc(O)c(Cl)c1)c1cc(Cl)c(O)c(S(=O)(=O)O)c1 1692353 PSCUPISALFHZBZ-UHFFFAOYSA-N 377.245 3.977 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)NC2c3ccccc3Oc3ccccc32)cc1 1865479 WNOQVXGRYWQBLZ-UHFFFAOYSA-N 394.452 3.819 0 40 GHAB O=C(Cc1ccc(Cl)cc1Cl)NC[C@H](c1cccs1)N1CCOCC1 22465720 AENCGEPXHVFYEF-MRXNPFEDSA-N 399.343 3.787 0 40 GHAB Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)N2CCCC2)CC1 4858302 IHIHIQPIWTWLQG-UHFFFAOYSA-N 394.441 3.623 0 40 GHAB Cc1ccc(NC(=O)NC(=O)CSc2nc(-c3cccs3)n[nH]2)c(C)c1 6035324 SCVWTCIXZGQWCG-UHFFFAOYSA-N 387.490 3.590 0 40 GHAB Cc1cc(NC(=S)NC(=O)C(C)(C)C)c(C)cc1I 6961437 KZQVSQAZUOQCKA-UHFFFAOYSA-N 390.290 3.767 0 40 GHAB COc1cccc(NC(=O)Cn2nc(COc3ccccc3C)oc2=S)c1 8571610 FZYYGJJZNRXARX-UHFFFAOYSA-N 385.445 3.740 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1 937628 QWHOHHMQQABLEI-UHFFFAOYSA-N 383.473 3.518 0 40 GHAB Cc1ncsc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1 100155792 KWUOOUOMUOLHFI-OKILXGFUSA-N 383.477 3.600 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccco3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 101997226 ZFLJYOAQDAVHEY-FHWLQOOXSA-N 394.814 3.984 0 40 GHAB Cc1ccc(-c2csnn2)cc1NC(=O)CC[C@H]1C(=O)Nc2ccccc21 100778587 JKXUXSNEZIQZHT-OAHLLOKOSA-N 378.457 3.968 0 40 GHAB COC(=O)c1c(NC(=O)COc2cccc(Br)c2)sc(C)c1C 1102480 YCBJUSUWWAPJCU-UHFFFAOYSA-N 398.278 3.932 0 40 GHAB CSc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C)CCCC(C)C)n2)cc1 61721109 FRQJIYZMTBZHGQ-MRXNPFEDSA-N 387.549 3.963 0 40 GHAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCN(c2ccc(F)cc2)CC1 57413360 DBYJOUGHNBRIJV-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB Cc1ccc([C@@H](NCC(=O)Nc2sccc2C(N)=O)c2cccs2)cc1 57471043 DMSSMTMVNBACSC-QGZVFWFLSA-N 385.514 3.535 0 40 GHAB O=C(COC(=O)CCSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 3239890 QSLIPPZFBCBEER-UHFFFAOYSA-N 393.848 3.733 0 40 GHAB Cc1cc(NC(=O)c2csc(-c3cc(Br)cs3)n2)n(C)n1 57995181 ITFZSUGZPNCYBK-UHFFFAOYSA-N 383.296 3.928 0 40 GHAB Cc1nccn1-c1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cn1 58054862 SWWSUYCIJOFTMZ-UHFFFAOYSA-N 391.456 3.864 0 40 GHAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1OC 72332173 LZLNDXOQULIYEN-ZDUSSCGKSA-N 399.422 3.703 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)COc1nnc(-c2ccccc2)o1 58733237 BKZFGXTZFSWGNM-UHFFFAOYSA-N 375.787 3.567 0 40 GHAB C[C@H](NC(=O)COc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101092390 RRRPKXRIEOGBQQ-MKSNKDDYSA-N 382.460 3.852 0 40 GHAB COc1cc(N[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)ccc1N1CCCC1=O 10185306 KQVMOWLUNKDGOI-HNNXBMFYSA-N 393.487 3.750 0 40 GHAB CC(C)COC[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccco1 72304085 RBRYFZQVPFNUNH-ULQDDVLXSA-N 394.512 3.803 0 40 GHAB COc1cc(NC(=O)CNc2ccc(Br)c(C)c2)cc(OC)c1 3398412 IVZKWDXDWYXBCO-UHFFFAOYSA-N 379.254 3.825 0 40 GHAB COC(=O)c1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 3310002 BLVQQJRPPUJKGV-UHFFFAOYSA-N 396.226 3.504 0 40 GHAB Cn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCCCC2)c2ccccc21 2273007 DBUURWHZMCPUAM-PGMHBOJBSA-N 387.483 3.962 0 40 GHAB O=C(CNc1ccccc1OC(F)(F)F)Nc1ccc(N2CCCC2=O)cc1 10855802 SGMXTSCKYYRHIT-UHFFFAOYSA-N 393.365 3.763 0 40 GHAB Cc1cccc(CSc2nnc(Nc3ccc(C(C)C)cc3)c(=O)n2N)c1 28535870 QLMMNJNZOHUPAD-UHFFFAOYSA-N 381.505 3.820 0 40 GHAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1cccc(Cl)c1Cl 12748683 OZHQZAMPRCZPNJ-UHFFFAOYSA-N 384.244 3.900 0 40 GHAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(N(C)C)cc1 2447796 YKWVPJAOMGXJIM-FQRUVTKNSA-N 376.437 3.840 0 40 GHAB COC(=O)c1cccc(NC(=O)c2c(C)nc(-c3ccco3)nc2SC)c1 12792523 XBVCVNWCFUKQQA-UHFFFAOYSA-N 383.429 3.806 0 40 GHAB C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)NCc1ccccc1 3450217 SLDXGTUYBWLQMW-CQSZACIVSA-N 384.530 3.947 0 40 GHAB O=C(CCC(=O)N1CCOCC1)Nc1nc(-c2cccc3ccccc23)cs1 12993588 WAVDXOXIYMLIRZ-UHFFFAOYSA-N 395.484 3.541 0 40 GHAB COc1cc(OC)c(/C=C2/SC(=O)N(C(C)C)C2=O)cc1Br 4472219 IMCRKDIZZBAARF-AWNIVKPZSA-N 386.267 3.911 0 40 GHAB Cc1cc(C(=O)CSc2nccn2C)c(C)n1C[C@@H]1COc2ccccc2O1 5359441 CXYSUVBPNKFJMU-MRXNPFEDSA-N 397.500 3.653 0 40 GHAB C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)CCCC2 14142360 FQCKLUPOCBJNHX-INIZCTEOSA-N 391.515 3.747 0 40 GHAB Cc1nn(Cc2ccc(C(=O)Nc3nccs3)o2)c(C)c1Br 28225138 YNXCMTHZKSSDQI-UHFFFAOYSA-N 381.255 3.613 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 4673281 BARMTDNRWHFQCU-UHFFFAOYSA-N 387.288 3.561 0 40 GHAB CCOC(=O)c1cc(NC(=O)c2cc3ccccc3o2)ccc1N1CCOCC1 4705138 IZMVSNMVCVUVHL-UHFFFAOYSA-N 394.427 3.698 0 40 GHAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3nc4ccccc4[nH]3)c12 9059882 WGIVUYONYVHPRK-UHFFFAOYSA-N 391.427 3.948 0 40 GHAB C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1n[nH]c(=S)n1C1CC1 66638246 ZYWXZQZUHOJORV-MRVPVSSYSA-N 387.292 3.666 0 40 GHAB CCC(=O)Nc1ccc(C2=Nn3c(nnc3-c3cccc(F)c3)SC2)cc1 7006610 YIAWSSJUMICTBN-UHFFFAOYSA-N 381.436 3.791 0 40 GHAB Cc1ccc(C)c(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)c1 71327313 PZIPRADTJTTXAI-UHFFFAOYSA-N 395.438 3.542 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)c1ccc(Br)s1 7602372 MEEJMEAWBYATLK-QHHAFSJGSA-N 395.230 3.679 0 40 GHAB O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 9234289 NOLCGTPOHHAWGN-KRWDZBQOSA-N 399.450 3.931 0 40 GHAB CCC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2OC)c1 7814362 YQSAIZZVEPHDTI-AWEZNQCLSA-N 376.478 3.871 0 40 GHAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 7878819 RXJBKWILEPVPJK-OAHLLOKOSA-N 397.544 3.978 0 40 GHAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 7901073 FZEWBCXSYPDSKS-CSNVJCEJSA-N 398.532 3.838 0 40 GHAB O=C(Cc1noc2ccccc12)Nc1ccc(I)cc1 8007908 RXPHDXGRMJBDEA-UHFFFAOYSA-N 378.169 3.614 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8156170 KAPPPSSLBYUYMP-SBLNNXNXSA-N 393.439 3.606 0 40 GHAB CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1Br 16780179 LTRMNBNIMWQYRJ-UHFFFAOYSA-N 376.316 3.801 0 40 GHAB C[C@@H](NC(=O)c1ccc2c(=O)[nH]c(S)nc2c1)c1cccc2ccccc12 69421346 KLWPDFXRHQNXEJ-GFCCVEGCSA-N 375.453 3.856 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)[C@@H]1CCCC[C@@H]1C(F)(F)F 84374385 AWPYTXUNNWUERP-CVEARBPZSA-N 379.382 3.599 0 40 GHAB COc1cc(C)c(CN[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1OC 97013152 UBNRAUAUTSMDRP-QGZVFWFLSA-N 388.895 3.951 0 40 GHAB Cn1cc(CCOC(=O)c2csc(COc3ccc(Cl)cc3)n2)cn1 95959801 GVZKLQDPDXFNKN-UHFFFAOYSA-N 377.853 3.509 0 40 GHAB O=C(CSc1nccn1Cc1ccccn1)c1cccc(OC(F)F)c1 95960585 NUEPZWLUBKWCCE-UHFFFAOYSA-N 375.400 3.903 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 28207106 ZKRVLCPTRWQKNO-HZPDHXFCSA-N 386.517 3.745 0 40 GHAB Cc1cc(NC(=S)NC(=O)c2cccc3ccccc23)cc(C(=O)O)c1O 20152226 CGXNPBOCFBDJQB-UHFFFAOYSA-N 380.425 3.679 0 40 GHAB COC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccc(C)cc3)sc2c1 20412417 OFZHPNFNZCWFHH-UHFFFAOYSA-N 385.470 3.518 0 40 GHAB O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(Oc2ccc3nncn3n2)cc1 61719977 KJFUBJXFPJIERW-UHFFFAOYSA-N 385.305 3.586 0 40 GHAB CC[C@@H]1CCC[C@@H](CCCNC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)N1 1505840650 LCDSFEBAJCEZQM-PTAFHAGTSA-N 393.616 3.771 0 40 GHAB Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 1534018176 WBPSDIUWLPFBCE-RBUKOAKNSA-N 386.471 3.654 0 40 GHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)o1 33731411 HXWZMXHJBSPHLT-RIYZIHGNSA-N 377.805 3.956 0 40 GHAB Cc1ccc(/C=C/c2nc3s/c(=C/c4ccc(Cl)cc4)c(=O)n3n2)cc1 39835398 MMSDPZXEVPQEJF-OENGIGCFSA-N 379.872 3.831 0 40 GHAB O=C(c1cc(Br)ccc1F)N1CCCN(Cc2cccs2)CC1 36396671 ZCCHXASMSMSVTC-UHFFFAOYSA-N 397.313 3.998 0 40 GHAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccccc2OC)ccc1Cl 219500411 OHRHJPAJRQJGQF-GFCCVEGCSA-N 377.824 3.931 0 40 GHAB CN(C(=O)CCc1nc(Cc2ccccc2)no1)C1C2CC3CC(C2)CC1C3 40133214 ZSWYNNXFZWLWAG-UHFFFAOYSA-N 379.504 3.876 0 40 GHAB CC(C)Oc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222516817 WGONCXPAXMSGLW-UHFFFAOYSA-N 396.896 3.775 0 40 GHAB Cc1cc(C)cc(C[C@H](C)CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 136753387 SOEFXGRFVYTYCH-SESVDKBCSA-N 378.516 3.680 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 222430769 BRVMNUYPDRGKJO-GOSISDBHSA-N 396.531 3.835 0 40 GHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccccc1 224051164 HERPIFUHNWVHAM-GOSISDBHSA-N 384.545 3.516 0 40 GHAB CSc1ccc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224664882 ZXQBUURYJJDFDJ-UHFFFAOYSA-N 390.574 3.873 0 40 GHAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 225698654 QSCXVKCSVNVJNQ-KRWDZBQOSA-N 386.923 3.867 0 40 GHAB Cc1ccc(C(=O)NC2CCCCCCC2)cc1N1CCCCS1(=O)=O 222570275 NUOKMBPEBIGUOI-UHFFFAOYSA-N 378.538 3.768 0 40 GHAB S=C(NCc1ccco1)Nc1ncc(Br)cc1Br 223900392 HUAVOANHRYEEEI-UHFFFAOYSA-N 391.088 3.686 0 40 GHAB COc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)c2)c1 136690295 MLYRQXWQAIJZTK-JSNMRZPZSA-N 390.439 3.649 0 40 GHAB O=C(Nc1nc2ccccc2s1)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 77100386 HYFQNYYAIMOKBS-UHFFFAOYSA-N 390.350 3.543 0 40 GHAB COc1cc(F)ccc1-c1ccc(=O)n([C@H]2CCc3ccccc3N=C2O)n1 40286735 CTSLEFKRWZKVCC-SFHVURJKSA-N 379.391 3.834 0 40 GHAB Cc1cccc(C)c1N(CC(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O 222761567 MPGWSGBMCQXGTC-UHFFFAOYSA-N 396.512 3.539 0 40 GHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 224872290 UULAPNTUIGFJDE-UHFFFAOYSA-N 388.367 3.517 0 40 GHAB O=S(=O)(Cc1ccc(F)cc1)Nc1nnc(SCc2ccccc2)s1 223907390 RCVUCGBZBCFLCI-UHFFFAOYSA-N 395.506 3.911 0 40 GHAB CCOc1ccc(-c2cc(C(=O)N3CCC[C@@H]4N(C)CCC[C@@]43C)[nH]n2)cc1 257205323 AYNFKJBHOVOKBF-UNMCSNQZSA-N 382.508 3.564 0 40 GHAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1ccnc(-c2cccs2)c1 252552021 ULRYZQPSTRQOLR-ZDUSSCGKSA-N 382.441 3.623 0 40 GHAB CC(C)C[C@H](C(=O)NCCS(=O)(=O)C(F)(F)F)c1ccc(Cl)cc1 1632650714 GKAGIVHGBSTHQZ-ZDUSSCGKSA-N 385.835 3.521 0 40 GHAB CC(C)Oc1cc(C(=O)NCc2nn(C)cc2Cl)ccc1Br 650070053 VHTMKCBEFVKPJF-UHFFFAOYSA-N 386.677 3.553 0 40 GHAB Fc1ccc(C[C@H](NCc2cnn3c2CCC3)[C@H]2COc3ccccc3O2)cc1 657471860 IMNUUMYCJIKZKY-WMZHIEFXSA-N 393.462 3.509 0 40 GHAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)N1C[C@H]2COC[C@@H](C1)O2 669946479 CLPBKDBXQQDTIL-CALCHBBNSA-N 395.484 3.519 0 40 GHAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cc4c(s2)CCC4)C3)c1 575404858 PCNQCEFURPUDTC-SFHVURJKSA-N 398.528 3.531 0 40 GHAB Cc1csc(NC(=O)C2CCN(CCOc3ccc(Cl)cc3)CC2)n1 47264240 DCQMFYMUXHKZLU-UHFFFAOYSA-N 379.913 3.834 0 40 GHAB O[C@@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3ccncc3)nn21 72396312 CLEGLCZQZYGFEY-GOSISDBHSA-N 377.404 3.545 0 40 GHAB Cc1ccc(NC(=O)N2CC3(CC(=O)N(Cc4ccccc4)O3)C2)cc1Cl 1549161996 MAQFJUDGOHVAIJ-UHFFFAOYSA-N 385.851 3.599 0 40 GHAB CC(C)c1cc(=O)oc2cc(OCC(=O)Nc3ccc4c(c3)OCCO4)ccc12 5466461 MOMPITNZRXAIQD-UHFFFAOYSA-N 395.411 3.705 0 40 GHAB C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)Nc1ccc2ccccc2c1 11592122 HVTUDNGJETWXSI-GFCCVEGCSA-N 395.513 3.993 0 40 GHAB Cc1ccc([C@@H](C)C(=O)N2CCC(n3nc(-c4ccco4)ccc3=O)CC2)cc1 12129296 KNHACGQUCIDJNN-QGZVFWFLSA-N 391.471 3.779 0 40 GHAB COc1ccc(CCC(=O)N[C@@H]2CCCc3nc(N4CCCCC4)ncc32)cc1 12328542 KXSHZOKKVDJEEJ-HXUWFJFHSA-N 394.519 3.602 0 40 GHAB O=C(NC/C(Br)=C/Br)Nc1cnc2ccccc2c1 13281528 WMMCKORFWLQKGZ-POHAHGRESA-N 385.059 3.988 0 40 GHAB CCOc1ccc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)cc1 13668966 VYDGXMFQLLCIAC-UHFFFAOYSA-N 377.506 3.784 0 40 GHAB CCOc1ccccc1NC(=O)O[C@@H]1CCCN1C(=O)NCc1ccccc1 13995538 MPSQXCVTBKABOT-LJQANCHMSA-N 383.448 3.966 0 40 GHAB COc1cc(CN(CC(=O)Nc2ccccc2)C2CC2)ccc1OC(F)F 14014507 YQZWZZGSJBRALV-UHFFFAOYSA-N 376.403 3.900 0 40 GHAB CSc1ccccc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 14401264 JINMRWIWOFOPJR-UHFFFAOYSA-N 396.509 3.733 0 40 GHAB CC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2F)(C(=O)NC(C)C)C1 19448997 LFUQFTYCTGSPJT-QHCPKHFHSA-N 382.479 3.798 0 40 GHAB O=C(Nc1cccc(Cn2cccn2)c1)c1cnn2c(-c3ccccc3)ccnc12 19716840 JAELXCKLWVJXQT-UHFFFAOYSA-N 394.438 3.893 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 19932931 YVBZFGBLDLXVEY-QGZVFWFLSA-N 388.533 3.762 0 40 GHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCc1ccccc1Cl 19937576 WCTYSIPBFIDCQB-UHFFFAOYSA-N 388.254 3.603 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)/C=C/c2ccc(OCC)cc2)c1C 7254331 NUZVTNFQGHVIBH-FMIVXFBMSA-N 399.443 3.646 0 40 GHAB COc1cccc(CN2CCCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)c1OC 12337792 KNHRQYQKALHVQW-SFHVURJKSA-N 396.491 3.796 0 40 GHAB CCc1cc2c(SCC(=O)Nc3ccc(NC(C)=O)cc3)ncnc2s1 2618640 PXWOZHXHYWMKLZ-UHFFFAOYSA-N 386.502 3.943 0 40 GHAB CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc(OC)cc1 21188666 FBWZMPDCDOUQSA-UHFFFAOYSA-N 390.324 3.730 0 40 GHAB CC(=O)N1CCN(Cc2scnc2C)C[C@@H](Cc2cccc3cccnc23)C1 2037846812 YHJRGXQAOSFOEZ-GOSISDBHSA-N 394.544 3.523 0 40 GHAB O=C(/C=C/c1cccs1)N1CC[C@@H]2OCCC[C@@]2(COCc2ccncc2)C1 1565543122 YOKBFSPKOKMFLS-OFHLPYKXSA-N 398.528 3.771 0 40 GHAB O=C(COc1ccccc1)Nc1nnc(-c2ccc(Br)cc2)s1 714481 QJFAPUABBSCBCD-UHFFFAOYSA-N 390.262 3.985 0 40 GHAB Cc1ccc(Cn2nnc3c(SCC(=O)c4ccccc4)ncnc32)cc1 4268959 QKTQMBKVFXDZNQ-UHFFFAOYSA-N 375.457 3.553 0 40 GHAB O=C(Nc1ccc(F)c(F)c1F)c1cccn(Cc2cccc(F)c2)c1=O 5268888 HTZWHJPSWFOBBN-UHFFFAOYSA-N 376.309 3.705 0 40 GHAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(=O)OC(C)C)CC1=O 8845036 KCJPGKRFFKYZHU-QGZVFWFLSA-N 391.471 3.817 0 40 GHAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cccc3ccccc23)n1 12123342 INQMGOHGRBTMJQ-UHFFFAOYSA-N 385.427 3.547 0 40 GHAB COc1ccccc1S(=O)(=O)N1CCS[C@H](c2cc(F)ccc2F)CC1 219352013 BOSDLDGLQONINJ-KRWDZBQOSA-N 399.484 3.842 0 40 GHAB O=C(Nc1cccc(NC(=O)[C@@H]2CCCN2)c1)c1cccc(C(F)(F)F)c1 70850955 RCIRAZWJZDECJA-INIZCTEOSA-N 377.366 3.648 0 40 GHAB CCCSc1nc(N2CCNCC2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2435897 JULWRIQBCMJLJZ-IBGZPJMESA-N 392.594 3.844 0 40 GHAB C[C@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)c1ccc(C(F)(F)F)cc1 30114769 SWHXESNLELLFIF-ZDUSSCGKSA-N 390.361 3.999 0 40 GHAB O=C(c1c(F)cccc1Cl)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 40059593 BJMVAGKYQKFIDS-CYBMUJFWSA-N 376.863 3.817 0 40 GHAB O[C@H](CSc1ccc(Cl)cc1)CN1CCN(c2ccccc2F)CC1 20385045 OWOREENSKBUPPL-INIZCTEOSA-N 380.916 3.754 0 40 GHAB CC(=O)NCCc1ccc(C(=O)CSc2ccc(C(F)(F)F)cn2)cc1 31743330 SXHITNGKZVEGGO-UHFFFAOYSA-N 382.407 3.754 0 40 GHAB O=C1C[C@@H](C(=O)Nc2ccccc2Cl)n2ncc(-c3ccc(F)cc3)c2N1 32088829 JNAOOCMMZBCQID-INIZCTEOSA-N 384.798 3.865 0 40 GHAB Cc1ccc(C(=O)COc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 102081481 DHEWSLRQMFBQOL-WOJBJXKFSA-N 375.424 3.712 0 40 GHAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cccc(N2C(=O)CCC2=O)c1 32892729 MPIBOZKMYDOTHY-UHFFFAOYSA-N 390.395 3.660 0 40 GHAB Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)N3CCCCC3)c(=O)[nH]c12 889214 FHAGOLSVFTUOFJ-HXUWFJFHSA-N 392.507 3.513 0 40 GHAB COc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1NS(C)(=O)=O 33067319 FPEZAZURZIMODH-UHFFFAOYSA-N 389.260 3.626 0 40 GHAB Fc1ccccc1Cn1nnc2c(NCCc3c[nH]c4ccccc34)ncnc21 1349125 RWYJHNQMRCKCTF-UHFFFAOYSA-N 387.422 3.545 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccccn1 1362609 XJNPXNPXSBURSP-UHFFFAOYSA-N 397.504 3.880 0 40 GHAB Cc1cc(C)c2c(c1)cc(CN(C(=O)C1CCC1)C1CCCC1)c1nnnn12 1367221 BVQKKURUCUQGIZ-UHFFFAOYSA-N 377.492 3.966 0 40 GHAB CC(C)c1cc(-c2nnc3sc(-c4cccc(OC(F)F)c4)nn23)n(C)n1 79464375 SYOPKZOWJUFGIM-UHFFFAOYSA-N 390.419 3.978 0 40 GHAB Cc1ccc([C@H]2[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 4171777 YZTAPIFIOPKYTP-FHWLQOOXSA-N 384.863 3.903 0 40 GHAB CCCOc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 8565916 QAEJEYOACNDXEN-GOSISDBHSA-N 382.460 3.637 0 40 GHAB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)N1C(=O)CCC1=O 8475162 VLHCBPBZAAXSJJ-UHFFFAOYSA-N 377.227 3.700 0 40 GHAB O=C(/N=c1/[nH]c2ccc(F)cc2s1)c1cccc(I)c1 1268081 AMGLPCPCBXVYJI-UHFFFAOYSA-N 398.200 3.714 0 40 GHAB CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CC1CCCCC1 1243692 UEPDANCFLAHKOZ-UHFFFAOYSA-N 387.549 3.937 0 40 GHAB Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)nc1 25045650 HCXMGWSMCFPEPV-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 25055449 OXFRVYHRGICEAM-UHFFFAOYSA-N 383.835 3.774 0 40 GHAB O=C(CN1CSCC1=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 25301935 GHZBRWQDWRKMMF-UHFFFAOYSA-N 394.855 3.530 0 40 GHAB Cc1cccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)C3CCCCC3)n2)c1 20464488 OUYHRAZGOTXAHY-IBGZPJMESA-N 391.475 3.974 0 40 GHAB biogenic,in-vitro Cc1nc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)sc1C 25766284 HUTXUHAZFFIURM-UHFFFAOYSA-N 398.454 3.539 0 40 GHAB Cc1ccc2c(COC(=O)CCc3nc(-c4ccccc4)no3)cc(=O)oc2c1 26671114 FLBSOQCQSPAOLY-UHFFFAOYSA-N 390.395 3.827 0 40 GHAB O=C(Nc1ccc(F)cc1F)N(CCO)Cc1ccccc1Br 58030162 WMDPHQJADMVHMR-UHFFFAOYSA-N 385.208 3.754 0 40 GHAB O=C(CCc1nc(-c2ccccc2)no1)NC[C@H](c1cccs1)N1CCCC1 27605875 WBOGNRCTQNQHBO-QGZVFWFLSA-N 396.516 3.684 0 40 GHAB O=C(COC(=O)CCCSc1nc2ccccc2[nH]1)Nc1cccc(F)c1 12620966 BSJLPAIWVGPBGB-UHFFFAOYSA-N 387.436 3.756 0 40 GHAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Cc2cn(C)c3ccccc23)C1 58248687 NTDVKKPDGYHECC-QGZVFWFLSA-N 397.906 3.778 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccsc2c1=O 27819187 YRWIFSHMSVNKCO-UHFFFAOYSA-N 379.894 3.862 0 40 GHAB Cc1cccc(OCCNC(=O)NCc2cccc(NC(=O)c3ccco3)c2)c1 28408790 QNNMHZVGJDNODG-UHFFFAOYSA-N 393.443 3.719 0 40 GHAB COc1ccc(OC)c(CNC(=O)c2c(NC(=O)C3CC3)sc(C)c2C)c1 36395563 LCCGPNQXHUCCBA-UHFFFAOYSA-N 388.489 3.661 0 40 GHAB CCc1c(C(=O)Nc2ccc3c(c2)C(=O)NC3)cnn1-c1cccc(Cl)c1 58749117 ULECOBIFGUANKT-UHFFFAOYSA-N 380.835 3.584 0 40 GHAB O=C(COC(=O)Cc1coc(-c2ccccc2)n1)Nc1cccc2ncccc12 21535859 OHAFDQUYLPUIJB-UHFFFAOYSA-N 387.395 3.614 0 40 GHAB C[C@H](Cn1cc(Br)cn1)C(=O)Nc1ccc(C(F)(F)F)cc1 28237266 FFILFYHAURYADT-SECBINFHSA-N 376.176 3.939 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1C 22338779 RXNMHZYWJHVDOP-GOSISDBHSA-N 388.533 3.564 0 40 GHAB Cc1c([C@H](C)NC(=O)Cc2noc3ccccc23)cnn1-c1ccc(F)cc1 45518449 RTWQEJFZBIESEW-ZDUSSCGKSA-N 378.407 3.881 0 40 GHAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(N(C)C)cc1 2447794 YKWVPJAOMGXJIM-RXFWQSSRSA-N 376.437 3.840 0 40 GHAB CCN1CCN(c2nc(SC)nc3sc4c(c23)C[C@@](C)(CC)OC4)CC1 2419843 HMYKNJMROJHIJR-LJQANCHMSA-N 392.594 3.797 0 40 GHAB O=C(COc1ccc2ccc(C(F)(F)F)nc2c1)Nc1ccc2c(c1)OCO2 48301955 DZFXBMXQLFIMHH-UHFFFAOYSA-N 390.317 4.000 0 40 GHAB Cc1ccc2c(CC(=O)Nc3ccc(N4CCN(C)CC4)cc3C)coc2c1 3415919 FPXXSSMLWQMFBB-UHFFFAOYSA-N 377.488 3.983 0 40 GHAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccc(F)cc1F 12971462 GRHSAHLVQARPGI-OLZOCXBDSA-N 378.444 3.756 0 40 GHAB CNC(=O)c1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 12913011 YCCGEHSYRBLQRX-QFIPXVFZSA-N 398.466 3.992 0 40 GHAB Cc1cc(NC(=O)N[C@H](C)c2ccccc2NS(C)(=O)=O)c2ncccc2c1 92146704 PLJSNXIUBXYLDG-CQSZACIVSA-N 398.488 3.797 0 40 GHAB CCOC(=O)N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 13023291 PGCNPPIDLOYLTI-UHFFFAOYSA-N 386.452 3.776 0 40 GHAB O=C1CS[C@@H](c2ccccc2)N1CCN1C(=O)CS[C@@H]1c1ccccc1 13660325 JDXXRAJDMGVZCQ-BGYRXZFFSA-N 384.526 3.535 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CN(C)[C@H]2CCCc3ccccc32)c(C)c1 18935211 GAKFBLCCXGCIII-NRFANRHFSA-N 393.531 3.676 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1)n1nnc2sc(-c3ccccc3)cc2c1=O 5183314 URZIPINXHCBZNU-ZDUSSCGKSA-N 376.441 3.720 0 40 GHAB COc1cccc(-n2nc(C)c(CCC(=O)Nc3ccc4c(c3)OCO4)c2C)c1 8848905 YQYRZBSAUWUTKT-UHFFFAOYSA-N 393.443 3.798 0 40 GHAB CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc3ccccc23)cc1 28208337 DTPJPNNAQXWJMC-UHFFFAOYSA-N 382.485 3.661 0 40 GHAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1 409344429 JMUDIEVOUWRUMQ-LICLKQGHSA-N 381.457 3.880 0 40 GHAB COc1ccc([C@H](NC(=O)c2ccc([S@](C)=O)cc2)c2ccccc2)cc1 65552594 FQESAISDXPUHJI-JIPXPUAJSA-N 379.481 3.952 0 40 GHAB CN(C)CCn1cnc2c(c1=N)[C@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 5346973 MNXDBFCWKKDMCG-GOSISDBHSA-N 396.878 3.569 0 40 GHAB COCc1c(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)oc2ccccc12 14202134 UDROXFPQTJVGFB-SFHVURJKSA-N 382.460 3.621 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)c(C)c1 4648713 MWFMFXYSBDNXIO-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB Cc1cc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)c(C)o1 6609864 CKBIWEAVRYRDQM-SFHVURJKSA-N 384.476 3.773 0 40 GHAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccc2c(c1)OCCCO2 5737482 MQDLEDBAFGWOSW-UHFFFAOYSA-N 377.396 3.797 0 40 GHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2c(F)cccc2Cl)NC(=O)N1 6944689 XKWOTNJUKNHMDX-MRXNPFEDSA-N 377.778 3.885 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2SC)c1C 5938605 DGESMBKINBNBQZ-UHFFFAOYSA-N 375.446 3.570 0 40 GHAB COc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 5930257 WEQQWTJFHDMPHH-UHFFFAOYSA-N 394.393 3.685 0 40 GHAB Cc1ccc(F)cc1/N=c1\oc2cc(O)ccc2cc1C(=O)NC[C@H]1CCCO1 67298770 XCXDPHNSDUSWMH-JUZPYSENSA-N 396.418 3.727 0 40 GHAB COc1ccc(F)cc1[C@@H](C)NC(=O)c1cc(-c2ccc(O)cc2)c(C)[nH]c1=O 96004305 XRMFACCQNYWNBK-CYBMUJFWSA-N 396.418 3.695 0 40 GHAB COc1ccc(CN2C(=O)NC3(CCCCCC3)C2=O)cc1Br 7131784 XGEFETQTGBDQDG-UHFFFAOYSA-N 381.270 3.603 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3ccccc32)cc1 7191887 NXBKKRFHCWTGDK-QGZVFWFLSA-N 381.501 3.721 0 40 GHAB CNc1nnc(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 7102235 WHOCIERYOMSMEJ-LBPRGKRZSA-N 377.539 3.689 0 40 GHAB Cn1c(=O)n(C)c2cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)ccc21 409199993 GHYIHEVCXJFMSK-CXUHLZMHSA-N 399.859 3.771 0 40 GHAB Cc1ccccc1CCNC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7684496 QLAFEIXUYHARNG-OAQYLSRUSA-N 394.515 3.652 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)n2)cc1 7738395 PSMIOLNTQDPVKP-UHFFFAOYSA-N 390.468 3.926 0 40 GHAB CCCNC(=O)Nc1cccc(OCC(=O)N[C@H]2CCCc3ccccc32)c1 68430239 HTVHIBNDURRNLU-FQEVSTJZSA-N 381.476 3.791 0 40 GHAB CCOCCCNC(=S)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 16215913 JCGBCUWYTSEJHH-UHFFFAOYSA-N 387.505 3.661 0 40 GHAB CN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc2ccccc2c1 7989195 ZECTYNRCXHXQER-UHFFFAOYSA-N 387.483 3.803 0 40 GHAB CN(C)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1 16597479 HJXBDPNLAHJNNE-UHFFFAOYSA-N 390.487 3.831 0 40 GHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)c(OC)c1 9318090 IOWPRJQBCNRWSG-LBPRGKRZSA-N 399.834 3.928 0 40 GHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccccc1 9590911 KDWLAEKNFIPCFW-CYBMUJFWSA-N 392.238 3.772 0 40 GHAB Fc1ccccc1-c1ccc2nnc(C3CCN(Cc4ccco4)CC3)n2n1 306142457 WZPCAGSEXIMOAQ-UHFFFAOYSA-N 377.423 3.903 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc2nc(N3CCOCC3)sc2c1 9592799 BILHOVCLQCVJSW-UHFFFAOYSA-N 392.484 3.795 0 40 GHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cn1c(=O)n(C)c2ccccc21 71844275 YYSUTWVFXGLKSA-OALUTQOASA-N 377.488 3.525 0 40 GHAB C[C@@H](C(=O)Nc1ccnn1[C@H](C)c1cc(Cl)ccc1Cl)n1cncn1 72314239 WKUKCNQBIYLCAJ-MNOVXSKESA-N 379.251 3.590 0 40 GHAB OCC[C@@H]1COCCN1c1nc(C2CC2)nc2scc(-c3ccccc3)c12 95446154 MGZWOSKXHSSHJZ-MRXNPFEDSA-N 381.501 3.823 0 40 GHAB O=C(NC1CC1)c1cccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)c1 9977995 ZMFCVDRYDFAZTL-UHFFFAOYSA-N 380.835 3.875 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 9990629 DLMLYDRBPXXJMH-SOFGYWHQSA-N 395.430 3.732 0 40 GHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O 409094418 DARFBRNIDYZJOP-HGLKBHAMSA-N 390.848 3.729 0 40 GHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2CN(Cc3cccc(F)c3)C[C@H]21 306131737 KOGWDSGFBLFTQO-PZJWPPBQSA-N 383.444 3.841 0 40 GHAB O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc(Cl)cc1Cl 28283939 LGHGNUSKGJKEBS-STQMWFEESA-N 387.288 3.730 0 40 GHAB COc1ccccc1C(=O)NC(=S)Nc1ccc(Cc2c(C)n[nH]c2C)cc1 408618498 CZTWVZJSTCHYNP-UHFFFAOYSA-N 394.500 3.753 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1ccc(F)cc1 306129169 HWGPXEURTVRUQT-FGZHOGPDSA-N 393.437 3.848 0 40 GHAB CC(C)(C)C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 408627582 LYQMYXJPCTUOJK-JTQLQIEISA-N 395.594 3.857 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 219720727 ZUCJWUACUBLVMB-SFHVURJKSA-N 388.533 3.582 0 40 GHAB CCn1c(=O)n(CC(=O)N(c2ccccc2)c2nc(C)cs2)c2ccccc21 36625280 OIVHCLOPBUGVRO-UHFFFAOYSA-N 392.484 3.953 0 40 GHAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(Cl)cc3)nn1C)C2 32093507 CELWEAYGLKGSFX-UHFFFAOYSA-N 383.835 3.914 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CCCCCn2cnc3ccccc3c2=O)c1 32100867 BFHNKNPGIKYRNF-UHFFFAOYSA-N 392.459 3.554 0 40 GHAB CCc1ccc(OCC(=O)Nc2nnc(SC)s2)c(Br)c1 40993111 SFKLEDIUWRXUCI-UHFFFAOYSA-N 388.312 3.602 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 223535887 FLPLAHIIDIIDJH-SFHVURJKSA-N 390.483 3.772 0 40 GHAB O=C(N[C@H](c1cccnc1)C1CCOCC1)c1cc(Br)cs1 225623217 DAVLEBWWRYSXOA-HNNXBMFYSA-N 381.295 3.803 0 40 GHAB C[C@@H](NC(=O)CCSCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 223862022 WSBDCRYQPCAVBM-OAHLLOKOSA-N 377.531 3.591 0 40 GHAB CCN(CC)[C@@H](CNC(=O)Nc1cc(OC)c(OC)c(OC)c1)CC(C)C 40096208 ZHDCPLPFGKFIMU-MRXNPFEDSA-N 381.517 3.590 0 40 GHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 223170103 KXFSYBLMSHXQEJ-OAQYLSRUSA-N 396.531 3.960 0 40 GHAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223965567 ARMABDOYHZUBGT-KSMMKXTCSA-N 388.464 3.545 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCc3ccco3)ccc2C)cc1 224306734 ZEFWYJGFZDCBKT-UHFFFAOYSA-N 398.484 3.652 0 40 GHAB COc1cc(NC(=O)[C@H]2CCc3cccc(O)c32)cc(OC)c1Br 571827049 XBKGCENKAVDWJF-LBPRGKRZSA-N 392.249 3.840 0 40 GHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCC 223266123 MPIVYBZDDJUBBB-NRFANRHFSA-N 382.504 3.571 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1 224125204 WVARZSUJLNUMIW-OAQYLSRUSA-N 382.504 3.571 0 40 GHAB Cc1ccc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)cc1Cl 225973491 PJDCVIOCJFTASM-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 222519834 NKYZPMBAUNXXHF-INIZCTEOSA-N 388.895 3.662 0 40 GHAB CN1CCCN(C(=O)c2cc(-c3ccn(-c4ccccc4)n3)n3ccccc23)CC1 96154761 AZBDYFKFNTUEHO-UHFFFAOYSA-N 399.498 3.570 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)N[C@H](C(=O)O)c1ccc2c(c1)CCO2 582315798 ILPBKDWAAFSOJA-HNNXBMFYSA-N 380.322 3.588 0 40 GHAB Cc1cc(Br)c(S(=O)(=O)n2c(C)nc3ccccc32)cc1C 95946392 CYVCHUNUKISXMS-UHFFFAOYSA-N 379.279 3.961 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257315826 VCXKAZIGMPCNJR-QGZVFWFLSA-N 377.444 3.689 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2ccc(C)s2)c2ccccn2)CC1 257221663 DQAMVDQRQFDVHU-ZWOKBUDYSA-N 385.533 3.865 0 40 GHAB CCCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCCC[C@@H]2C)n1 260739787 PDQUJUQOMDDFMY-HOTGVXAUSA-N 390.601 3.788 0 40 GHAB CC(C)CCn1nc(CNC(=O)N2CCO[C@@](C)(C(F)F)C2)c2ccccc21 1616045093 YJHIOFFWRREBJF-HXUWFJFHSA-N 394.466 3.648 0 40 GHAB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccc2cnccc2c1 667215849 RDVHFPSFVSHPEP-FXAWDEMLSA-N 379.464 3.741 0 40 GHAB Cc1nc([C@H]2CCOC2)sc1C(=O)N(C)Cc1nc(C(F)(F)F)cs1 631590042 SMBBSPZBINHGQF-VIFPVBQESA-N 391.440 3.703 0 40 GHAB CSc1ccc([C@H](CC(=O)O)NC(=O)c2[nH]nc(C3CC3)c2Cl)cc1 95463955 BOIBVTFLVKNVKA-LBPRGKRZSA-N 379.869 3.608 0 40 GHAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2cscn2)cc1 12145598 UKJKPZQBZPQMCE-MRXNPFEDSA-N 382.489 3.781 0 40 GHAB CC(=O)Nc1ccc(OC(=O)COc2ccc(C)cc2Br)cc1 14003472 IUFVTCRDEHNXMS-UHFFFAOYSA-N 378.222 3.700 0 40 GHAB CCOc1ccc(C2=N/C(=C\c3ccc(OC)c(OC)c3)C(=O)O2)cc1OCC 14249324 SXINKHAGHHVZRN-WJDWOHSUSA-N 397.427 3.846 0 40 GHAB CC(C)c1nnc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)s1 16966030 JDIRJFIMIRNREF-UHFFFAOYSA-N 377.857 3.936 0 40 GHAB CCn1cc(-c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCO4)on2)c(C)n1 19524700 RCGOSLIMAHBZAA-CYBMUJFWSA-N 380.448 3.682 0 40 GHAB CC[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(S(C)(=O)=O)cc1 225723964 KGQZWJCZIJOHCY-OAHLLOKOSA-N 384.473 3.806 0 40 GHAB CC(C)CN1CCOCCOc2ccc(C(=O)O)cc2Cc2cccc(c2)C1 643574174 HKPUISGTEKZRQI-UHFFFAOYSA-N 383.488 3.843 0 40 GHAB CCOCc1cc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2cccnc2)ccc1OC 12135016 MJDGZHWOVMGJOO-RIKCKFAHSA-N 396.531 3.746 0 40 GHAB OCC[C@H]1CCCCN1Cc1nc(-c2cccnc2OC2CCCCC2)no1 12365423 MPNRBPIYFFSNFQ-MRXNPFEDSA-N 386.496 3.580 0 40 GHAB COc1cc(N2CCN(Cc3ccc(C(=O)O)c(Cl)c3)CC2)ccc1F 566743284 KKIXWCWKKXVVBX-UHFFFAOYSA-N 378.831 3.508 0 40 GHAB Cc1nonc1COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 19714319 HAHLZXVKXLGKNF-GOSISDBHSA-N 393.443 3.989 0 40 GHAB Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)s1 1888868563 HXFNJCWRLPTDFG-KBPBESRZSA-N 394.566 3.502 0 40 GHAB Cc1nc(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)sc1CC(N)=O 32330666 PJPSSBSPJODGBB-OAHLLOKOSA-N 397.953 3.888 0 40 GHAB O=C(c1c(F)cccc1F)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912626 RGMRHUAMYGLLGT-FQEVSTJZSA-N 379.378 3.540 0 40 GHAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2ncc(Br)cc2Cl)C1 2087051397 MYBFUKJFSPFXAQ-GFCCVEGCSA-N 388.737 3.971 0 40 GHAB COc1ccc(C(=O)N2CCc3ncnc(-c4ccsc4)c3CC2)c(C)c1 1565553062 ISWJPTZKCDWEBH-UHFFFAOYSA-N 379.485 3.763 0 40 GHAB CCn1c(SCC(=O)N2CCCCCC2)nnc1-c1c[nH]c2ccccc12 4138513 YLKBMVNBMGHAGC-UHFFFAOYSA-N 383.521 3.941 0 40 GHAB CS(=O)(=O)N1CCCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21 5136795 XLUZSFGLFPEFHU-UHFFFAOYSA-N 388.533 3.554 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)o1)N1CCC(Cc2ccccc2)CC1 5213976 HNGSGOZUAAUYSD-UHFFFAOYSA-N 394.500 3.705 0 40 GHAB O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCCc1ccccc1 9627845 LCKWBTFLIZDJHV-UHFFFAOYSA-N 399.903 3.950 0 40 GHAB CC(=O)c1cc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)c2ccccn12 10272873 RLZNAGOCVYLNHW-UHFFFAOYSA-N 384.819 3.899 0 40 GHAB COc1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)s3)o2)cc1OC 12444115 VBWDKHDHFKGGTG-UHFFFAOYSA-N 379.825 3.645 0 40 GHAB Cc1nnc(NC(=O)CSc2ccc(-c3cc(C)c(C)cc3C)nn2)s1 12845500 SPEYRVLYEJBTBI-UHFFFAOYSA-N 385.518 3.960 0 40 GHAB CC(=O)Nc1ccc2c(c1)s/c(=N/C(=O)c1nc3ccccc3s1)n2C 100823784 RURMCQJAKBNRAC-DYTRJAOYSA-N 382.470 3.549 0 40 GHAB COc1ccc(CCNC(=O)c2ccc(Cn3c(C)nc4ccccc43)o2)cc1 35597050 MFHCFDXFUHLGAM-UHFFFAOYSA-N 389.455 3.967 0 40 GHAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1(c2cccs2)CCCC1 38677519 XGUCXQBTVXKICD-UHFFFAOYSA-N 390.530 3.739 0 40 GHAB CC(=O)c1cccc(NC(=O)CSc2cc(-c3nc(C4CC4)no3)ccn2)c1 49405441 IISGZRHGYSGOIH-UHFFFAOYSA-N 394.456 3.942 0 40 GHAB O=C(C1CCN(Cc2nc3ccccc3o2)CC1)N1CCc2ccccc2C1 32804137 VDMGEYZLOREIOZ-UHFFFAOYSA-N 375.472 3.625 0 40 GHAB CS(=O)(=O)c1cc(C(=O)N2CCCc3c(F)cc(F)cc32)ccc1Cl 40090398 MLMLMUTULVBUBJ-UHFFFAOYSA-N 385.819 3.615 0 40 GHAB O=C(/C=C/c1ccc(OCc2ccccn2)cc1)Nc1ccc(-n2cccn2)nc1 40080090 FKVGYDSTWVUAHC-KPKJPENVSA-N 397.438 3.893 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1cccc(OCC(C)C)c1)CC(O)=N2 31818856 HMNWWLQYIMCECO-MRXNPFEDSA-N 393.447 3.835 0 40 GHAB O=C1N[C@H](Cc2ccccc2)C(=O)N1CCOc1c(Cl)cccc1Cl 21176499 OFRIVWUQQKMLIU-OAHLLOKOSA-N 379.243 3.535 0 40 GHAB CC1=C(C)C[C@H]2C(=O)N(c3cccc(I)c3)C(=O)[C@@H]2C1 102129787 QFQLXFXCINTLLA-ZIAGYGMSSA-N 381.213 3.527 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccccc1Cn1ccnc1 32855866 QPYXITGWCNZFSS-UHFFFAOYSA-N 384.483 3.955 0 40 GHAB COc1ccc(COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1F 32859685 BLQWKTKEYZTJLU-SOFGYWHQSA-N 376.380 3.617 0 40 GHAB Cc1cc2n(CC(=O)Nc3cccc4ccccc34)c(=O)c3ccccc3n2n1 32909135 NLIWCZBDOXXWEH-UHFFFAOYSA-N 382.423 3.750 0 40 GHAB Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Br)cc1 1104450 NBDNNRXDKVMOIX-UHFFFAOYSA-N 381.233 3.642 0 40 GHAB CC(=O)c1ccc(C(=O)N(C)CCOc2ccc(Br)cc2)s1 21920786 XNVLZBSSIJCCCR-UHFFFAOYSA-N 382.279 3.864 0 40 GHAB COC(=O)c1cccc(NC(=O)Cc2csc(COc3ccccc3)n2)c1 33326293 BLZIUTIREJOHHW-UHFFFAOYSA-N 382.441 3.690 0 40 GHAB Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)O)n2CCc2ccccc2)cc1 4169647 TWCNVRSZPVYSLC-INIZCTEOSA-N 397.500 3.973 0 40 GHAB O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccccc1 4601039 KGKUZIZVOJAUFJ-DEOSSOPVSA-N 384.435 3.559 0 40 GHAB O=C(Nc1ccc(Br)cc1F)[C@H]1CC(=O)N(c2ccccc2)C1 665329 ZUULXEODUSCAPF-NSHDSACASA-N 377.213 3.580 0 40 GHAB CCc1ccc(N2C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C3=C2COC3=O)cc1 4944673 LDNRNOTWQIFMPW-KRWDZBQOSA-N 393.439 3.598 0 40 GHAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)c(OC)c1)N1CCCCCC1 4968376 AFPOJMPPYPABFX-LJQANCHMSA-N 387.528 3.801 0 40 GHAB Cc1cccc(OCCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 6887258 VFXWAOMDLIAMOF-UHFFFAOYSA-N 379.460 3.591 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)no2)cc1 7610215 JERSFPHLIMICJH-UHFFFAOYSA-N 397.456 3.953 0 40 GHAB Cc1sc2ncnc(NC[C@H](c3cccs3)N3CCN(C)CC3)c2c1C 22804250 PSHMRZGAYJGECQ-OAHLLOKOSA-N 387.578 3.770 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1F)c1cccc(Cl)c1 8810270 YHJAYPYNNKWNDW-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1C 23342939 GKZJMBPOZIPZMH-UHFFFAOYSA-N 379.416 3.609 0 40 GHAB Cc1cc(S(=O)(=O)NC(C)(C)C)c(Br)cc1Br 54362955 YUAQEJQFRLJNIN-UHFFFAOYSA-N 385.121 3.597 0 40 GHAB CSc1nn(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)c(=S)s1 12563806 SDNNUAICSTXCCT-UHFFFAOYSA-N 398.554 3.517 0 40 GHAB CCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1OC 3283941 SPIAEOYSKAYJIN-OAHLLOKOSA-N 399.443 3.871 0 40 GHAB C[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)N1CCN(Cc2ccccc2)CC1 57406249 NUDDSJLNDLRRFR-OAHLLOKOSA-N 375.875 3.624 0 40 GHAB O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)N1CCc2ccccc21 3286085 QINGAYOXGPDYQE-UHFFFAOYSA-N 389.329 3.780 0 40 GHAB N=C(Nc1ccc2c(c1)OCCO2)SCc1ccc(C(=O)N2CCCC2)cc1 44792755 BNJRVJBSYPOUJE-UHFFFAOYSA-N 397.500 3.974 0 40 GHAB CCOc1ccc(/C=C/C(=O)N(C)C2CCN(Cc3ccncc3)CC2)cc1 58138843 XADXRFXCWAHFSX-RMKNXTFCSA-N 379.504 3.617 0 40 GHAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 10513426 QMIDWNPLEITGGM-KRWDZBQOSA-N 395.427 3.652 0 40 GHAB C[C@]1(CCc2ccccc2)NC(=O)N(CN2CC=C(c3ccccc3)CC2)C1=O 22751677 KSFARNIVROSTGG-XMMPIXPASA-N 389.499 3.677 0 40 GHAB COc1cc(C(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc(OC)c1OC 36358131 QQKOIPPQKFXFST-UHFFFAOYSA-N 395.337 3.860 0 40 GHAB Cc1c([C@@H](C)NC(=O)CN2CCc3sccc3C2)cnn1-c1ccc(F)cc1 58795685 QGURIICJIOUXLA-CQSZACIVSA-N 398.507 3.617 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(C)c3)n2)cc1OC 2398693 BVXJLPGMEFMOJW-UHFFFAOYSA-N 381.432 3.942 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C=O)cc2OCC)cc1 28452522 DOOFVYDZHCVHEK-UHFFFAOYSA-N 399.443 3.872 0 40 GHAB O=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 25153407 JNLRQRGPNZERAN-HNNXBMFYSA-N 398.956 3.580 0 40 GHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)Cc1c(C)nc2nc(SC)nn2c1C 12779581 KMNKISLOJFVKCS-CQSZACIVSA-N 397.548 3.833 0 40 GHAB CC(C)[C@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccccc1 29448319 ZVGRUAHXRGPCSP-IBGZPJMESA-N 375.428 3.656 0 40 GHAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc(Br)cc1Cl 3401946 GKYJMLYRRGIOLQ-SNVBAGLBSA-N 389.702 3.670 0 40 GHAB C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(-n2cncn2)cc1 12973514 VMLFGJYFEYXSQT-LBPRGKRZSA-N 375.259 3.994 0 40 GHAB O=C(c1ccccc1)N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 8869860 PROIAWIRNZTCDZ-HXUWFJFHSA-N 379.481 3.669 0 40 GHAB C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CNC3=O 13367837 ZSVLMDBFFSSVAK-WFBUDIMJSA-N 385.504 3.543 0 40 GHAB biogenic,in-vitro O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1Cc1cccnc1 8846059 BKQLNPDIPSCKCI-HXUWFJFHSA-N 384.391 3.639 0 40 GHAB COc1ccc(CCc2nn3c(-c4cccc(F)c4)nnc3s2)cc1OC 13687730 FFKGGONQIUUCOS-UHFFFAOYSA-N 384.436 3.794 0 40 GHAB Cc1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12 5015284 QXWOSXUGQVWYAC-UHFFFAOYSA-N 375.457 3.855 0 40 GHAB C[C@H](OC(=O)/C=C/c1nc2ccccc2s1)C(=O)N1CCc2ccccc21 6174553 JZALKOWTBNPCLY-VNDWYCCKSA-N 378.453 3.831 0 40 GHAB O=C1N=C(O)[C@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1c1ccc(Cl)cc1 9089896 YMLQUSULRKRLFJ-LAUBAEHRSA-N 395.846 3.975 0 40 GHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)n2ncnc2N1 4705306 DYUNSQTURWCDMY-QGZVFWFLSA-N 383.814 3.998 0 40 GHAB O=C(CNC(=O)c1ccccc1F)Nc1nc(-c2ccc(Cl)cc2)cs1 6968763 BMQAILPMWDCQBD-UHFFFAOYSA-N 389.839 3.971 0 40 GHAB Cc1ccc([C@H](C)NC(=O)COC(=O)CSc2nc3ccccc3o2)cc1C 5969373 ULQIGJFPYOWCEG-HNNXBMFYSA-N 398.484 3.957 0 40 GHAB CCCOc1c(Cl)cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc1OC 7127792 PTDSTMFDGDQXPB-QGZVFWFLSA-N 385.855 3.583 0 40 GHAB Cc1cc(C(=O)Cn2nnc(-c3cccs3)n2)c(C)n1Cc1cccs1 7330941 YZXROHAAGXXQEU-UHFFFAOYSA-N 383.502 3.813 0 40 GHAB COCCn1c([C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)nc2ccccc21 7544100 APFUKBQKNNGEJZ-AWEZNQCLSA-N 399.878 3.865 0 40 GHAB c1ccc(-n2ncc3c(NCc4ccc(Cn5cccn5)cc4)ncnc32)cc1 9335637 COJIWWIFLANDAU-UHFFFAOYSA-N 381.443 3.672 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1ncc(-c2ccccc2)o1 7737916 AIFSAWZBFLALCD-UHFFFAOYSA-N 393.395 3.819 0 40 GHAB COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccsc4)C2)OC3)c1 306135117 OIKUSWBVSHVTNI-NRFANRHFSA-N 381.501 3.795 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1cc(F)ccc1F 8519682 QCHFGOQPXIQIRS-UHFFFAOYSA-N 391.443 3.588 0 40 GHAB CCCOc1ncccc1CNC(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 95993153 CUZAIEASWLSSQV-GOSISDBHSA-N 390.487 3.613 0 40 GHAB Cc1ccsc1C(=O)N1CC[C@@]2(C1)Cn1c(-c3ccsc3)cnc1CO2 306134683 NVFLNUQFBOWQIC-LJQANCHMSA-N 385.514 3.797 0 40 GHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2CCCc3ccccc32)c1 20046941 CJNFKMVOINILRT-KRWDZBQOSA-N 378.881 3.519 0 40 GHAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 118928182 PEANADIJRKRMOK-CEDLVZTASA-N 390.520 3.929 0 40 GHAB Cc1ccc(C(=O)N2CCN([C@@H](CCC(=O)O)c3ccc(C)cc3)CC2)cc1 408613607 YTBJHOZMQDUIBA-NRFANRHFSA-N 380.488 3.667 0 40 GHAB COc1ccc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccc2)cc1 306124528 BSTPALZEQXEODV-GOTSBHOMSA-N 387.483 3.578 0 40 GHAB Cc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2ccc(F)c(F)c2)cc1 35684414 DYBABUKQWFUXBN-QGZVFWFLSA-N 396.397 3.967 0 40 GHAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 408622522 PBPYABMHTRUOBS-UHFFFAOYSA-N 386.395 3.564 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 33572051 FAIYANDMGAQEEF-GHTZIAJQSA-N 396.487 3.700 0 40 GHAB COc1cccc(Cc2cccc([C@@H]3CCCN3C(=O)Cc3cccnc3)n2)c1 72357910 BRKRTCZSNMKZGQ-QHCPKHFHSA-N 387.483 3.982 0 40 GHAB CCSc1ccccc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38726111 XCVIHQJMGLRVDM-PMACEKPBSA-N 394.540 3.887 0 40 GHAB Cc1ccccc1NC(=O)NCCNC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 35595054 IWAHAOZBDAGZLQ-UHFFFAOYSA-N 396.491 3.531 0 40 GHAB Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 72378455 HQLCYWFXDRHODZ-OAQYLSRUSA-N 385.471 3.963 0 40 GHAB COc1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C 225433353 CRCDMAHBOJHVAL-ZHZULCJRSA-N 390.439 3.684 0 40 GHAB NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 40157931 UIWANEONVKPXOP-KRWDZBQOSA-N 392.286 3.695 0 40 GHAB Cc1cc(Br)ccc1Nc1ncnc2c1cnn2C1CCNCC1 228934204 ASSAODLFRDAVFG-UHFFFAOYSA-N 387.285 3.565 0 40 GHAB Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O 224875706 RHNFQHPGQVDJOP-ZWKOTPCHSA-N 384.892 3.956 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 225070580 ZDNPHQFOEBFZJT-QGZVFWFLSA-N 386.923 3.869 0 40 GHAB CCC[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)c1ccccc1 40098456 HNHIMZLGBDNFRV-SFHVURJKSA-N 389.521 3.908 0 40 GHAB O=C(COc1ccc2c(c1)CCCC2)N1CCN(c2cccc(Cl)c2)CC1 225704033 DQLMPNWVXUJIQT-UHFFFAOYSA-N 384.907 3.946 0 40 GHAB CCN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 224665500 ABRMIUAWDFZCDI-UHFFFAOYSA-N 387.242 3.506 0 40 GHAB Cc1ccc(CN2CCC3(CC2)CCN(C(=O)Cc2cccnc2)CC3)s1 96047332 QRVLNFFTVOYUEQ-UHFFFAOYSA-N 383.561 3.899 0 40 GHAB Cc1ccc(CN2CCC3(CC2)C[C@H](NC(=O)c2cccs2)CO3)cc1C 96221253 FDZYUJSYTXGNBV-IBGZPJMESA-N 384.545 3.918 0 40 GHAB COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 243465738 NJTAQDQPYKCDRB-ZDUSSCGKSA-N 393.270 3.671 0 40 GHAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H]3OC(C)(C)OC[C@]32C)[C@@]12CC[C@@](CO)(CCO)O2 248340917 VKCTYACKTCTDRG-LDDHNZGVSA-N 396.568 3.653 0 40 GHAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3ncccc3C)C2)o1 257219923 DIVIKNYAJUAULT-GOSISDBHSA-N 391.471 3.997 0 40 GHAB O=C(NCc1ccncc1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257334648 YGUXQIZHGVFHCH-UHFFFAOYSA-N 387.483 3.799 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)c2ccc(C)s2)c2ccccn2)CC1 257221662 DQAMVDQRQFDVHU-MBOZVWFJSA-N 385.533 3.865 0 40 GHAB Cc1c(C(=O)NC[C@@H]2CCc3ccccc3C2)nnn1-c1ccc2ncccc2c1 604956047 YSFNVWWLYKGTKE-QGZVFWFLSA-N 397.482 3.659 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](O)c1ccc2c(c1)CCO2 90610620 IYTASJDKRSYXTQ-QGZVFWFLSA-N 398.846 3.702 0 40 GHAB NC(=O)[C@@H]1CCN(C(=O)CCc2ccccc2C(F)(F)F)c2ccccc21 632168091 FKNXILJUGMYJDD-OAHLLOKOSA-N 376.378 3.644 0 40 GHAB Cc1ccc([C@H](N[C@H]2CCCn3ccnc32)c2cccc(S(C)(=O)=O)c2)cc1 655719889 ZWOFXDIBTINOBD-SFTDATJTSA-N 395.528 3.809 0 40 GHAB O=C(NCC1(c2ccccc2)CCOCC1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 660423266 OLVPUMRUDSPLFT-CTNGQTDRSA-N 386.536 3.726 0 40 GHAB COc1cnccc1[C@@H](C)NC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C 661049662 CHCJNMKPDJZAOR-LPMFXHHGSA-N 389.883 3.976 0 40 GHAB CCOC[C@@H]1CN(C(=O)Nc2cccc3cccc(Br)c23)CCO1 1616042765 RPOSVCFDIPUCGP-AWEZNQCLSA-N 393.281 3.872 0 40 GHAB COc1ccc([C@H](Cc2ccccc2)NC(=O)N2C[C@H](C)[C@](C)(CO)C2)cc1 664927046 OMTMEYAEGFKGTH-HYVJGQCMSA-N 382.504 3.639 0 40 GHAB Cc1noc(C)c1CN1CC[C@]12CCCN(C(=O)c1nccc3ccccc13)C2 585101789 GMXQFWOFZOWQAP-QHCPKHFHSA-N 390.487 3.720 0 40 GHAB COc1ccc2ccccc2c1CNC(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 577465699 CQYOJVQPTJIHFE-NRFANRHFSA-N 380.488 3.949 0 40 GHAB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(OC)c1 8107583 KJCRPYHAFQARJX-VCHYOVAHSA-N 383.425 3.623 0 40 GHAB COc1ccc(/C=C/C(=O)OCc2cc(Cl)c3c(c2)OCO3)cc1OC 5279770 UABLDKOTUVBDML-GQCTYLIASA-N 376.792 3.843 0 40 GHAB CC(C)(C)c1ccc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1 12549545 GLNWOIONPKGAFD-LJQANCHMSA-N 391.475 3.591 0 40 GHAB O=C(NC(=S)/N=c1\[nH]c2ccc(O)cc2s1)c1ccc2ccccc2c1 17077588 BKIKLYFAFIMRKX-UHFFFAOYSA-N 379.466 3.704 0 40 GHAB O=C(CN1CCN(c2ccccc2)CC1)Nc1nc2ccc(Cl)cc2s1 17079020 NSHCEZGUSVAFQH-UHFFFAOYSA-N 386.908 3.710 0 40 GHAB Cc1c(C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)oc2ccccc12 19566215 CMPJZVYOEBHIDN-UHFFFAOYSA-N 390.487 3.539 0 40 GHAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 8169279 VRAJWXDRNKDBHB-DQBOXZGESA-N 394.452 3.926 0 40 GHAB Cc1cc2c(CN3CCC[C@@H](C)C3)c(C(F)(F)F)nc-2n(CC(=O)N(C)C)c1 12163260 SSFMACOFUCZRDE-CYBMUJFWSA-N 396.457 3.635 0 40 GHAB CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(Cc2ccccc2F)C1 19573312 FPENJNRGQDHICX-AWEZNQCLSA-N 382.888 3.657 0 40 GHAB Cc1nonc1COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 19714320 HAHLZXVKXLGKNF-SFHVURJKSA-N 393.443 3.989 0 40 GHAB COc1ccc(NC(=O)CN(C)C(=O)CCCc2c[nH]c3ccccc23)cc1 6552826 BKIGOPJVYYQQCA-UHFFFAOYSA-N 379.460 3.596 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3c(F)cccc3F)CC2)CN1c1ccccc1 2037840452 MYIREIVMCINVLR-JOCHJYFZSA-N 386.442 3.753 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccccc2F)cc1 4694278 SOKCDVUAQMEESR-IBGZPJMESA-N 379.391 3.784 0 40 GHAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1c(-c2ccccc2Cl)noc1C 10255971 RJLFREPWARUWJZ-KRWDZBQOSA-N 395.846 3.621 0 40 GHAB Cc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1cccnc1)n1nnnc1N2 10336879 OCHVKAABMKPPQK-VXKWHMMOSA-N 394.438 3.936 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2ccc(Nc3cc(OC)nc(C)n3)cc2)c1 11027695 SUCWHWXPOVQQDC-UHFFFAOYSA-N 394.431 3.807 0 40 GHAB O=S(=O)(NCC1CCN(C2CCCC2)CC1)c1cc(Cl)ccc1Cl 23127593 ZJVAFRLAZHSXDN-UHFFFAOYSA-N 391.364 3.926 0 40 GHAB CCn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2c(OC)ccc(OC)c21 100909073 CMGYERDBHMVBTC-MRCUWXFGSA-N 385.489 3.547 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)no2)cc1C 27582457 LIXIVRFEHWIURY-UHFFFAOYSA-N 375.472 3.916 0 40 GHAB CC(C)NC(=O)c1cccc2c1CCCN2C(=O)Nc1ccc2c(c1)OCO2 10409000 OPLNOVNPQGUEQX-UHFFFAOYSA-N 381.432 3.538 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)NCCCN(C)Cc3ccccc3)c12 40024950 MNPKOUQVEKQJLP-UHFFFAOYSA-N 378.476 3.661 0 40 GHAB CC(=O)c1ccc(N2CCN([C@H](C(=O)O)c3c(C)[nH]c4ccccc34)CC2)cc1 20744761 BVIVAZWHJOTYAG-QFIPXVFZSA-N 391.471 3.627 0 40 GHAB CSc1ccccc1NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1 102137662 NADJMFUSJPDZOQ-UHFFFAOYSA-N 391.518 3.517 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)c1nc2ccccc2s1 32721651 NCFLSQVMSIOUKG-GFCCVEGCSA-N 375.471 3.926 0 40 GHAB COc1cc(OC)c(C2=CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c(OC)c1 32859742 DGCYTSMVWCWDEZ-UHFFFAOYSA-N 376.840 3.623 0 40 GHAB Cn1ccnc1[C@H](NC(=O)NCCCCc1ccccc1)c1cccc(F)c1 32802413 PWUHHTRENFAVSV-HXUWFJFHSA-N 380.467 3.971 0 40 GHAB Cn1c(Cl)cnc1COC(=O)c1cccc(NC(=O)C2CCCCC2)c1 46351428 OLYCWIOZBQMFSD-UHFFFAOYSA-N 375.856 3.949 0 40 GHAB Cc1ccc(NCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n2C)cc1 905050 XSGYFHKNOLUMQH-HOTGVXAUSA-N 387.553 3.617 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(CNc2ccc(F)cc2)o1 1328737 ASKZHKIZDGKCMI-BETUJISGSA-N 378.473 3.702 0 40 GHAB COc1ccc(Cl)cc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1726731 RLCFHFDKWVUARL-UHFFFAOYSA-N 386.839 3.790 0 40 GHAB COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)c1 641330 ZGUYMKLIXYJTSM-HXUWFJFHSA-N 395.459 3.587 0 40 GHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)NCc1ccccc1 4411656 TZEXRITXHWJCJZ-UHFFFAOYSA-N 396.516 3.594 0 40 GHAB CCOc1ccc(NC(=O)NC2(C(=O)NCc3ccco3)CCCCC2)cc1 4982018 JZQHZDDFYBDUGW-UHFFFAOYSA-N 385.464 3.819 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(C(F)(F)F)c1 6219955 WDQFEHMECSZEHM-UHFFFAOYSA-N 383.322 3.762 0 40 GHAB CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2O)S/C1=N/c1ccc(OC)cc1 6954372 LIFIWTLBVTUUJI-QSAFIDALSA-N 399.428 3.933 0 40 GHAB O=C(OCc1nc(-c2ccc(F)cc2)no1)c1cc(Br)ccc1O 7133031 NPDYBTIPXAUWLU-UHFFFAOYSA-N 393.168 3.701 0 40 GHAB CCCCn1nc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)ccc1=O 22701840 LPSIWZIKOLFYMO-QFIPXVFZSA-N 390.439 3.824 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(F)cc1Br 8403835 ZZUOPVUXHSXBIU-UHFFFAOYSA-N 398.228 3.544 0 40 GHAB COc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCC(=O)O 8811372 UYHUUOGWAVZQRJ-DNTJNYDQSA-N 383.231 3.589 0 40 GHAB COc1ccccc1/N=c1\oc2cc(O)ccc2cc1C(=O)NCc1ccco1 876792 PULNGUPWJJGJNX-GYHWCHFESA-N 390.395 3.902 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Br)o1 879619 COYBDYDRVGPLSL-UHFFFAOYSA-N 377.238 3.921 0 40 GHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc4ccccc4c(=O)[nH]3)o2)cc1 24174210 VKTGAKFPQCBDOY-GFCCVEGCSA-N 391.383 3.505 0 40 GHAB Cc1cc(SCC(=O)NCc2ccc3c(c2)OCCO3)nc2ccccc12 12554331 YKDGFVKLRVLOKU-UHFFFAOYSA-N 380.469 3.723 0 40 GHAB CCC(=O)c1ccc(OCC(=O)N(Cc2cccnc2)Cc2ccco2)cc1 12527680 JICCELWBWRIQAO-UHFFFAOYSA-N 378.428 3.875 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1Br 58337269 VYMAJXUGHWBNHB-LBPRGKRZSA-N 388.265 3.625 0 40 GHAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1c[nH]nc1-c1ccc(F)cc1 25384064 AOQQYFRHPOROJW-QGZVFWFLSA-N 384.480 3.844 0 40 GHAB CCN(C(=O)CSc1nnnn1-c1ccccc1)c1cccc2ccccc12 3275884 ORGCUCFMBSUQEL-UHFFFAOYSA-N 389.484 3.961 0 40 GHAB CCN(Cc1ccccc1)C(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O 57427472 XIPINJWGZMATKJ-UHFFFAOYSA-N 375.472 3.576 0 40 GHAB COc1ccc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1O 58163580 RUZJRAXXNLNBGB-UHFFFAOYSA-N 377.366 3.895 0 40 GHAB CCC(CC)c1nnc(NC(=O)C23C[C@@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)s1 102486194 XCLAXQSSYYLXFB-NILVNCKXSA-N 390.553 3.855 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2cc(Cl)cn2C)N2CCCCC2)cc1 27668839 IIGUBPIXZABCIE-LJQANCHMSA-N 375.900 3.644 0 40 GHAB CC1(C)Cc2nc(-c3ccccc3)nc(SCC(=O)N3CCCC3)c2CO1 2195514 UYCRZRCICVVGIC-UHFFFAOYSA-N 383.517 3.709 0 40 GHAB Cc1ccc2c(COC(=O)[C@@H]3CCCN3C(=O)c3cccs3)cc(=O)oc2c1 3309586 GEQCTKMEHIUZGB-INIZCTEOSA-N 397.452 3.511 0 40 GHAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)CCn2cnc3ccccc32)cc1 10516640 HXHLYEVOXUDUDH-FQEVSTJZSA-N 399.516 3.602 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccncc1 3303600 ILKZDZMKVJCBQT-AWEZNQCLSA-N 395.488 3.682 0 40 GHAB CC(C)Cc1nc2sc3c(N4CCN(C)CC4)ncnc3c2c2c1CCC2 2396484 OSARSZZWHHVDRU-UHFFFAOYSA-N 381.549 3.679 0 40 GHAB CCc1ccc(-c2csc(NC(=O)Cn3cnc4sccc4c3=O)n2)cc1 12747328 ROQOARBVTOWLLI-UHFFFAOYSA-N 396.497 3.783 0 40 GHAB CCOc1cc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc(OCC)c1OCC 20143406 PYLQSDAFQOOLPE-UHFFFAOYSA-N 389.404 3.539 0 40 GHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2c(c1)OC(F)(F)O2 12876055 LSEWSYXQFHOUHE-UHFFFAOYSA-N 391.305 3.769 0 40 GHAB COc1cc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc(Cl)c1OC 12879174 GNTUVVXZYMMHFH-UHFFFAOYSA-N 385.851 3.532 0 40 GHAB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)O)c(OCC)c2)c2ccccc21 409110485 CMXXZDQZDVTBTA-ATVHPVEESA-N 381.428 3.846 0 40 GHAB CCc1cccc(CC)c1NC(=O)CSc1nnnn1-c1ccc(OC)cc1 3501802 XJNGONUITHDGOM-UHFFFAOYSA-N 397.504 3.527 0 40 GHAB NC(=O)CCN(C(=O)COc1ccccc1-c1ccccc1)c1ccc(F)cc1 12980232 YELJAOKVMQWBTP-UHFFFAOYSA-N 392.430 3.780 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc1 12902089 VRSNXELAQPCULD-NKSQBSFPSA-N 394.471 3.656 0 40 GHAB COc1cc(C(=O)N[C@@H](C)CCc2cn(C)c3ccccc23)cc(OC)c1OC 3765598 IVDKGDPVCDDENG-HNNXBMFYSA-N 396.487 3.955 0 40 GHAB Cn1c(=O)c2cc(-c3ccc4ccccc4n3)c(-c3ccccc3)nc2n(C)c1=O 8780345 UPZIHMLFIFUVFN-UHFFFAOYSA-N 394.434 3.514 0 40 GHAB COc1cccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1 408704797 SYVVLMDGALUOEY-UHFFFAOYSA-N 396.468 3.776 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)cc1 4047120 IDMLIENVTZYKNK-GHTZIAJQSA-N 378.428 3.609 0 40 GHAB biogenic O=C(c1ccccc1Br)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 4163588 GJIJAWMNSQXSRY-QMTHXVAHSA-N 391.187 3.702 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1F)N(C)CC(=O)Nc1cccc2ccccc12 8984599 AZHUKVCBLLMGQH-HNNXBMFYSA-N 379.435 3.876 0 40 GHAB CN(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 6169187 AYSPMWKLSWVEFH-SQFISAMPSA-N 390.439 3.950 0 40 GHAB COc1ccc(OC)c(C(=O)COC(=O)c2c(-c3ccccc3)noc2C)c1 6112568 QJHYDGYHWHFCSJ-UHFFFAOYSA-N 381.384 3.707 0 40 GHAB O=C([C@H]1C[C@H]1c1ccccc1)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 6252437 HKGAXHBTPDPOFM-MESAYYPLSA-N 388.511 3.655 0 40 GHAB COc1cc(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc(OC)c1OC 6285292 JWVHQAXKBXAQIV-SECBINFHSA-N 384.354 3.569 0 40 GHAB CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccccc1Cl 22311627 YYRHXVMNNDPDIE-HKUYNNGSSA-N 387.863 3.843 0 40 GHAB COc1ccc(Cc2nnc(SCc3nc4c(C)cccc4c(=O)[nH]3)o2)cc1 19352561 KWXGJUWTNGNYKN-UHFFFAOYSA-N 394.456 3.506 0 40 GHAB Cc1nc(-c2nn3c(Cc4ccccc4OC(F)(F)F)nnc3s2)co1 71285386 NJTGSNRTYZVEQA-UHFFFAOYSA-N 381.339 3.639 0 40 GHAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)/C(=C\c2ccccc2)NC(C)=O)cc1 6618821 DIHITSIVWVNKDU-ZFMLPXDISA-N 394.471 3.859 0 40 GHAB CC(C)Cn1cc(I)c(COCCC(F)(F)F)n1 408715766 DKCCZUIWWJIMCU-UHFFFAOYSA-N 376.160 3.613 0 40 GHAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cn1 6941844 UIDNUNFRXKTTBZ-QPJJXVBHSA-N 384.741 3.949 0 40 GHAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C 9227785 DCPPKPJPDXDVJY-UHFFFAOYSA-N 387.288 3.852 0 40 GHAB Cc1cccc(C)c1NC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2)c1C 67322325 ZXCQVFRFQGUPSU-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 7783467 FXUBMSSLQJLXNT-AWEZNQCLSA-N 399.541 3.940 0 40 GHAB O=S(=O)(Cc1ccc(Br)cc1)Nc1cccc2cccnc12 68740954 IFGSJFRXRAJDQZ-UHFFFAOYSA-N 377.263 3.939 0 40 GHAB COc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)cc1 8311086 NNSSRYZRPBMSLM-UHFFFAOYSA-N 386.455 3.927 0 40 GHAB COC(=O)c1ccc2c(c1)CCCN2Cc1cc(=O)oc2cc(OC)ccc12 83970244 MCNXTEGRNLMFAZ-UHFFFAOYSA-N 379.412 3.541 0 40 GHAB Cc1cccc(N2N=C(C(=O)N[C@@H]3CCSc4ccccc43)CCC2=O)c1 9869091 MJXQDZIYQWQDCY-QGZVFWFLSA-N 379.485 3.831 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)N[C@@H]1COc2ccccc21 84579171 XAJBKXZCKNZBRD-GOSISDBHSA-N 386.473 3.658 0 40 GHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccnc(Cl)c1F 95449040 NIKHRHOEWXUJHS-MRXNPFEDSA-N 384.842 3.926 0 40 GHAB Cc1ccc([C@@H](CCC(=O)O)N2CCN(C(=O)c3cccc(C)c3)CC2)cc1 408611579 UAIUZCXRRBNFSB-OAQYLSRUSA-N 380.488 3.667 0 40 GHAB Cc1cccc(NC(=O)COc2ccc(C(=S)N3C[C@H](C)O[C@H](C)C3)cc2)c1 409255827 ZURFOKZONKZXFO-CALCHBBNSA-N 398.528 3.797 0 40 GHAB CCn1ncc(Br)c1C(=O)Nc1cc(C)nn1-c1ccc(F)cc1 28240351 BTOSYWZEFQOMDO-UHFFFAOYSA-N 392.232 3.551 0 40 GHAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCCC)C1=O 408601916 MDCIYIIXAMIUBB-FOWTUZBSSA-N 377.462 3.855 0 40 GHAB O=C(NCCCN1CCOCC1)/C(=C/c1ccccc1Cl)c1ccccc1 408573924 FNFOCCDZYQIBER-LVZFUZTISA-N 384.907 3.719 0 40 GHAB COC(=O)[C@]1(Cc2cccc(F)c2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 72340255 CPGPVEFITTVHQH-QTEQDKRBSA-N 381.447 3.534 0 40 GHAB O=S(=O)(c1ccccc1)N1CCC[C@@H](c2nnc(Cc3ccccc3)s2)C1 36705257 KPERKWODDKPDRL-QGZVFWFLSA-N 399.541 3.697 0 40 GHAB Cc1c(C(=O)NCCCc2cccs2)nnn1-c1ccc(OC(F)F)cc1 538805199 HVJKWHFIVGGCPS-UHFFFAOYSA-N 392.431 3.601 0 40 GHAB COc1ccccc1Oc1nccnc1C1CCN(Cc2cnn(C)c2C)CC1 72362582 KVVHDIAKSVRKOI-UHFFFAOYSA-N 393.491 3.699 0 40 GHAB CCCC[C@@H](CC)CNS(=O)(=O)c1cc(Br)ccc1OC 70139653 CECLVHVVCRTKAZ-GFCCVEGCSA-N 378.332 3.952 0 40 GHAB Cn1c(C(=O)O[C@@H](C(=O)NCc2ccco2)c2ccccc2)cc2occc21 35315794 STBKQNIKYJCYCN-LJQANCHMSA-N 378.384 3.579 0 40 GHAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1N1CCCCCC1 32908518 HDJDEBFXQQJCLM-UHFFFAOYSA-N 391.471 3.692 0 40 GHAB Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 566711789 UVSFKSVITYSVFI-CZUORRHYSA-N 388.880 3.913 0 40 GHAB COc1ccc2cc([C@H]3SC(C)=Nc4c3c(O)nn4C(C)C)c(=O)n(C)c2c1 71286463 UXMBYDZRGMFUPO-QGZVFWFLSA-N 398.488 3.916 0 40 GHAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 32809589 QKALHUVRFLMWKS-JKSUJKDBSA-N 378.350 3.875 0 40 GHAB CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 72350537 FSMUCYKYXHPIGD-QGZVFWFLSA-N 393.466 3.945 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 225286012 NMXZRWUGCWEXGL-UHFFFAOYSA-N 377.444 3.977 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 223966134 OVDRIBNWDYEDQD-NRFANRHFSA-N 395.480 3.850 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C 222399285 GASUMRSQJAWZAJ-SFHVURJKSA-N 384.545 3.700 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1cccc(CN2CCCC2)c1 224626874 WAQOKKJADPTRTQ-FQEVSTJZSA-N 382.504 3.765 0 40 GHAB Cc1cccc2cc(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)sc12 573836148 AJDQIQBLRRPDCQ-UHFFFAOYSA-N 385.464 3.510 0 40 GHAB CCn1c(=O)sc2cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc21 225099252 BMBUPXIJAWLZRQ-UHFFFAOYSA-N 382.894 3.678 0 40 GHAB CCOc1ncccc1C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 96103654 XPXGNDCKPSNNQY-INIZCTEOSA-N 395.459 3.510 0 40 GHAB O=C(C[C@H]1NC(=O)c2ccccc21)N[C@@H]1N=Nc2ccc(Br)cc21 96343498 RNLGCJWJPBHFKV-GDBMZVCRSA-N 385.221 3.536 0 40 GHAB Cc1cccc(Nc2ccc([C@@H]3CN(c4nc(C)cc(C)n4)CCO3)nc2)n1 257240287 HSWQMCYNBBSQOC-IBGZPJMESA-N 376.464 3.513 0 40 GHAB CC(C)[C@H]1O[C@H]2c3cc(CCC(=O)O)ccc3OC(C)(C)[C@@H]2C[C@H]1C(=O)O 257201210 AGTOMTZBAFYEJE-RGCFKVTRSA-N 376.449 3.678 0 40 GHAB O=C(O)c1cnc(C2CCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)s1 630245601 LIVNZQQNMKUYIJ-RYUDHWBXSA-N 390.427 3.916 0 40 GHAB O=C(N[C@H](CO)[C@H](O)C1CCCCC1)c1ccc(-c2ccc(F)cc2)cc1F 1169415554 PFFCGLBKFMSTRA-NHCUHLMSSA-N 389.442 3.664 0 40 GHAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)CC(c1ccccc1)c1ccccc1 96375495 STTLSERVJYVBMX-WCRBZPEASA-N 397.540 3.775 0 40 GHAB COc1ccccc1NC(=O)C1CCN(C(=O)c2scnc2C2CC2)CC1 89481721 GTWJTFKCJVSTFT-UHFFFAOYSA-N 385.489 3.520 0 40 GHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCC1(c2ccsc2)CCOCC1 952990453 ZJWVHBHPBWYVQL-UHFFFAOYSA-N 392.908 3.513 0 40 GHAB Cc1cc2c(=O)n(C)c(SCC(=O)Nc3cc(Cl)ccc3C)nc2s1 5017109 WGJTTZONPPEWTH-UHFFFAOYSA-N 393.921 3.996 0 40 GHAB CCN(CC)C(=O)COC(=O)c1cc2c(C)nn(Cc3ccc(C)cc3)c2s1 5077385 FUWHHJDYSVTCJO-UHFFFAOYSA-N 399.516 3.788 0 40 GHAB CCc1ccc(-c2n[nH]c(SCC(=O)N3CCC(c4ccccc4)=N3)n2)cc1 5180564 WCTGSFDRTOBWOU-UHFFFAOYSA-N 391.500 3.763 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 5679872 WJRRAXQYMIZQGP-UHFFFAOYSA-N 394.443 3.782 0 40 GHAB CCc1c(C(=O)NCCc2nc(-c3ccccc3)no2)[nH]c2ccc(F)cc12 12198274 CWPYYOXDKHGYAD-UHFFFAOYSA-N 378.407 3.892 0 40 GHAB O=C(c1nsc(Cl)c1Cl)N1CCC(c2n[nH]c3ncccc23)CC1 12670349 JAFXXKWUFCVDRQ-UHFFFAOYSA-N 382.276 3.741 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1 14091610 YQHVPSWBXPYRQF-UHFFFAOYSA-N 396.516 3.762 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3ccco3)cc2)cc1 17790232 UGMKEQMOYUTOCZ-UHFFFAOYSA-N 398.484 3.685 0 40 GHAB COc1ccc2[nH]c(CN3C[C@@H]4[C@@H](CC[C@@]4(O)c4ncccc4C)C3)c(C)c2c1 19237697 TVNYQKNCKNUKFA-IQOKHDRSSA-N 391.515 3.918 0 40 GHAB O=c1cc([C@@H]2CCCCN2Cc2ccc(F)c(F)c2)nc(-c2ccncc2)[nH]1 19292932 CHLVKTUJARVFLE-IBGZPJMESA-N 382.414 3.837 0 40 GHAB Fc1ccccc1CN(CCCn1ccnc1)Cc1ccnc(N2CCCC2)n1 19348703 PUWKBDNZGCXJQY-UHFFFAOYSA-N 394.498 3.505 0 40 GHAB CCn1cc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)cn1 19524860 DGSLOMARUBADLL-UHFFFAOYSA-N 391.397 3.818 0 40 GHAB C[C@@H](Cn1nc2c(cc1=O)CCCC2)NC(=O)[C@H](c1ccccc1)C1CCCC1 19574175 UJJNRTKJTQTCNV-GAJHUEQPSA-N 393.531 3.601 0 40 GHAB CN1CCN(Cc2cccnc2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19589483 UCBMCBINWADIHK-OAQYLSRUSA-N 391.540 3.943 0 40 GHAB Cc1cc(C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)nc2ccccc12 19660800 AVLQYBXHODQJMI-UHFFFAOYSA-N 395.484 3.726 0 40 GHAB CCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 19706200 KFCQMNSAAZIBPI-LJQANCHMSA-N 379.508 3.596 0 40 GHAB Cc1nc([C@@H]2CCCN2C(=O)C(C)(C)C)nc2c1CC(=O)N2Cc1ccccc1 19739979 QLOTVEDCAVSFKS-SFHVURJKSA-N 392.503 3.584 0 40 GHAB COc1cc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC(F)F 3462565 XSVQRTTURFRJTA-ONNFQVAWSA-N 376.359 3.907 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cccnc2)C(=O)O)[nH]1 7342185 IDSAQYLSXLDGHO-AUWJEWJLSA-N 388.836 3.747 0 40 GHAB COc1ccc(-c2nnc(NN)o2)cc1OCc1ccc(Cl)cc1Cl 226318778 KMBBVQFVRRXMEV-UHFFFAOYSA-N 381.219 3.917 0 40 GHAB COc1ccc(C(=O)[C@@H](CCC(=O)O)c2ccc(OC)c(OC)c2)cc1OC 3844233 MCMLCPCIKYMVNR-HNNXBMFYSA-N 388.416 3.552 0 40 GHAB biogenic Cc1ccc(C(=O)Nn2cnc3scc(-c4cccs4)c3c2=O)c(O)c1 2639916 DSYKNRXNEDUHOU-UHFFFAOYSA-N 383.454 3.584 0 40 GHAB Cc1sc2nc(COC(=O)c3ccc(C(F)(F)F)cc3)[nH]c(=O)c2c1C 3456717 NRVTUKXCTQLKMC-UHFFFAOYSA-N 382.363 3.977 0 40 GHAB O=C1COC2(CCN(Cc3cccc(F)c3F)CC2)CN1c1cccc(F)c1 2037839658 AAHOTMQHMGGSRC-UHFFFAOYSA-N 390.405 3.502 0 40 GHAB Cc1ccc(CN2C(=O)CC[C@]23CCCN(Cc2cc(C)nn2C)CC3)cc1 1615102314 TYGBZIGMIICSFH-QHCPKHFHSA-N 380.536 3.584 0 40 GHAB O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)NC[C@H]1CCCO1 8854317 VFBYPVNXKVNHFF-OAHLLOKOSA-N 382.938 3.927 0 40 GHAB COc1ccc2nc(-c3ccc(NC(=O)c4ccc(F)cc4F)cc3)cn2n1 11693504 RLEXIXIJCLJQPX-UHFFFAOYSA-N 380.354 3.935 0 40 GHAB O=C(NC1CCCC1)C1CCN(c2ncnc3c2sc2ncccc23)CC1 16842215 HFYGCOFIUKOOAG-UHFFFAOYSA-N 381.505 3.515 0 40 GHAB Cc1c(-c2nc(-c3ccc(Br)cc3)no2)sc2[nH]cnc(=O)c12 1775978462 RVXDEXZDZBHHSG-UHFFFAOYSA-N 389.234 3.773 0 40 GHAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1ccco1)Nc1cccc(Cl)c1 101113971 ZQTHXMBSKDJEDX-HKOYGPOVSA-N 394.818 3.757 0 40 GHAB O=C(NCCCc1ccc(F)cc1)c1ccc(I)cc1 13676573 NNAIXDLHUDXLHK-UHFFFAOYSA-N 383.204 3.793 0 40 GHAB CCn1cnnc1CNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 40113368 HMSULKFMNPIKEW-UHFFFAOYSA-N 379.445 3.612 0 40 GHAB CC(C)c1noc(CCCC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)n1 40133464 LJJOIWGTELGJQD-UHFFFAOYSA-N 393.447 3.802 0 40 GHAB O=C1N[C@@H](c2ccc3c(c2)OCO3)Nc2c1sc(=S)n2-c1ccccc1 662890 PYGYRCRFHULZSR-HNNXBMFYSA-N 383.454 3.851 0 40 GHAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 1518238 GNWZOLYDHZSYDD-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB CCCOC(=O)c1ccc(OC[C@@H](O)Cn2c(CCC)nc3ccccc32)cc1 2054352 WQYIZIRYYRFPAL-SFHVURJKSA-N 396.487 3.996 0 40 GHAB CN(C)c1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 2649989 GFMRZNHIVOWZHY-UHFFFAOYSA-N 377.410 3.734 0 40 GHAB COc1ccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OC 3065968 AIIAMFGIAYOLLA-LHHJGKSTSA-N 379.746 3.980 0 40 GHAB Cc1cnc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cn1 3467130 QXNIGRYPVHHKQY-UHFFFAOYSA-N 377.425 3.771 0 40 GHAB CCN1C(=O)[C@@H](C(=O)N[C@@H](C)c2ccccc2)[C@H]2C[C@]1(C)Oc1ccccc12 4374386 IBJXYVQUQVHMFM-NRLYLRGFSA-N 378.472 3.625 0 40 GHAB CCC[C@H](NC(=O)c1ccccc1)C(=O)OCc1coc(-c2ccccc2)n1 4699180 NAXCPKLJQBKSDU-IBGZPJMESA-N 378.428 3.984 0 40 GHAB COCc1c(C(=O)OCc2cc(=O)oc3cc(O)ccc23)oc2ccccc12 5199797 OEBKCKJRNGIBOU-UHFFFAOYSA-N 380.352 3.748 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(C[C@@H]1CCCO1)C3=O 5252394 QMDYBWPLWCDYNP-VBKZILBWSA-N 393.414 3.965 0 40 GHAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 5450135 KJUMEBBHTTZDJI-GOSISDBHSA-N 393.226 3.689 0 40 GHAB CCc1ccc(OCC(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 6570434 KMVZBZPYWPZUSM-UHFFFAOYSA-N 383.517 3.741 0 40 GHAB CCN(C(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC)C1=CCCCC1 6606782 OWEQOILBWACHKJ-UHFFFAOYSA-N 393.915 3.525 0 40 GHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O 6850657 FSINEPITECLNCN-QCUKBLKESA-N 397.452 3.863 0 40 GHAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(Br)cc1 7063540 IHUPACHDCLCZPG-UHFFFAOYSA-N 389.249 3.593 0 40 GHAB CCCCCNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 7244042 LCWQNMBTGSBSEN-UHFFFAOYSA-N 381.505 3.728 0 40 GHAB C[C@@H](C(=O)N(C)Cc1ccccc1)N(C)CC(=O)Nc1cccc2ccccc12 7267727 AVRRNJAPKPGABM-SFHVURJKSA-N 389.499 3.757 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1C(=O)N1CCCCC1 7604453 ROSKHAGTTGKUNI-UHFFFAOYSA-N 394.443 3.700 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)c2c(c1)OCO2 7777733 YGTVCZDMKCMJMC-UHFFFAOYSA-N 375.808 3.502 0 40 GHAB CCOc1ccc(C(C)=O)cc1CN1C(=O)[C@H](C)N(c2ccc(C)cc2)C1=O 7990576 LGFMYNYQZPFNNO-HNNXBMFYSA-N 380.444 3.954 0 40 GHAB CC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1 8003134 ARKKACIMVNMEPB-HXUWFJFHSA-N 383.883 3.846 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 8163222 BVBNTIHHQNZCKU-UHFFFAOYSA-N 385.471 3.838 0 40 GHAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)c2cc(C)c(C)cc2C)cc1 8283752 GXOHGUIVKWBRHZ-OAHLLOKOSA-N 382.489 3.960 0 40 GHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(OC)c(OC)cc2C)C1=O 8327403 YURUWHNJTBHXSI-NRFANRHFSA-N 386.423 3.509 0 40 GHAB Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccccc4)s3)CC2=O)cc1C 9197924 LRCFTCFFPQTDPQ-INIZCTEOSA-N 392.484 3.928 0 40 GHAB O=C(CCc1nc(-c2ccccn2)no1)NCCc1c[nH]c2ccc(Cl)cc12 9419467 AOOUKPXOFGVDRP-UHFFFAOYSA-N 395.850 3.558 0 40 GHAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1csc(-c2cccs2)n1 9585099 AZIGJZUHAYGVIU-LJQANCHMSA-N 381.482 3.765 0 40 GHAB CC[C@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(C)cc1 10326416 WRXDAGPLLIHEGH-JKSUJKDBSA-N 386.517 3.663 0 40 GHAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N4CCCCC4)cc3C[C@H]2C)cc1 10327037 IQTHTDSDNBQYDG-QGZVFWFLSA-N 398.528 3.761 0 40 GHAB CCc1ccccc1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10357201 BQVKYBQKLCKKMD-UHFFFAOYSA-N 388.533 3.951 0 40 GHAB COc1cc(CNS(=O)(=O)Cc2cccc(Cl)c2)ccc1OC(C)C 10543762 KHWCNXBCDHQEBP-UHFFFAOYSA-N 383.897 3.755 0 40 GHAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccccc2OC(F)F)C1=O 11009931 MFHKTCRZLAFKDO-SFHVURJKSA-N 382.313 3.533 0 40 GHAB CCn1c([C@@H](CC(C)C)NC(=O)Cc2ccc(OC)cc2)nc2cccnc21 12114142 XAZBRTGQBOAJCD-LJQANCHMSA-N 380.492 3.906 0 40 GHAB COc1ccc([C@@H]2CN(Cc3cccc(OC)c3OC)C[C@H]2c2cc[nH]n2)cc1 12128561 AVKAVYZMGZQMIO-VQTJNVASSA-N 393.487 3.819 0 40 GHAB O=C(NCCCn1ccnc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 12147053 MILABVCFJILWAM-UHFFFAOYSA-N 389.381 3.861 0 40 GHAB COc1ccc(NC(=O)c2ccc(Cn3nnc(-c4ccc(C)cc4)n3)cc2)cc1 12472934 FXSAVWDFSKOWJX-UHFFFAOYSA-N 399.454 3.958 0 40 GHAB CCOc1c(Br)cc([C@@H]2NC(=O)c3ccccc3N2)cc1OC 12609105 ZPTFBPPWHBLQQZ-INIZCTEOSA-N 377.238 3.711 0 40 GHAB CSCC[C@@H](C(=O)N[C@H](C)CCCC(C)C)N1C(=O)c2ccccc2C1=O 12755094 LYENUFRFDDXWHM-QAPCUYQASA-N 390.549 3.735 0 40 GHAB O=C(CNC(=O)c1ccccc1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 12757889 VCCYBUBHSXFTOZ-KETPHWKMSA-N 396.490 3.830 0 40 GHAB Cc1ccc(-c2csc3ncn(CCC(=O)N4CCCCC4)c(=O)c23)cc1 12780560 MQXIWUMMZDNEMZ-UHFFFAOYSA-N 381.501 3.836 0 40 GHAB C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1F 12786212 UMTRSMJOAHIVKO-FMQWLBJXSA-N 380.463 3.955 0 40 GHAB CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1occc1Br 13957909 CZSMNUHAURBSEO-UHFFFAOYSA-N 376.210 3.754 0 40 GHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)NCCSCc1ccccc1 14226399 PSNJAISXRFBFAV-UHFFFAOYSA-N 390.559 3.719 0 40 GHAB Cc1ccccc1-c1noc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1 14357726 PRDWOKOGIAGAEU-UHFFFAOYSA-N 377.853 3.519 0 40 GHAB O=C(COc1ccccc1)Nc1nc(-c2ccc(Br)o2)ns1 15859946 LBDWSTJWNNILOC-UHFFFAOYSA-N 380.223 3.578 0 40 GHAB O=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1cccc(Br)c1 16737314 RZKLDSNLHNWKFJ-UHFFFAOYSA-N 394.212 3.946 0 40 GHAB CN(C)C(=O)[C@@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccccc1 17539376 HRTWVAKGUJKTLP-FQEVSTJZSA-N 397.402 3.984 0 40 GHAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccn2)C1)c1cccs1 19401619 MQAGNCNAZRSNQH-LAUBAEHRSA-N 392.528 3.921 0 40 GHAB Cc1cc(C)n(-c2cccc(C(=O)N3CCCC[C@H]3CCN3CCCC3)c2)n1 19574723 NXPDEGRLVVEYSA-NRFANRHFSA-N 380.536 3.970 0 40 GHAB CNC1CCC2(CC1)CN(Cc1cc(OC)ccc1OC)Cc1ccccc1O2 19592013 DJLNJAZVBASSQG-UHFFFAOYSA-N 396.531 3.999 0 40 GHAB Cc1ccc([C@@]2(O)CCN(C(=O)c3cc(-c4ccc(Cl)cc4)n(C)n3)C2)cc1 19717189 NWKBSMAFSJDLPP-JOCHJYFZSA-N 395.890 3.783 0 40 GHAB Cc1ccc(N2C(=O)/C(=C\NCC(C)(C)CN(C)C)c3ccccc3C2=O)cc1 21360192 YAHFJGUEEXZYHJ-STZFKDTASA-N 391.515 3.700 0 40 GHAB CN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(F)c1 22683004 GSPSHVZSHWARAQ-IBGZPJMESA-N 381.451 3.832 0 40 GHAB C[C@H](CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccccc1 25454277 VVALFFDWZDCFDT-CQSZACIVSA-N 378.394 3.872 0 40 GHAB NC(=O)Nc1ccc(NC(=O)CCCc2ccc(Br)s2)cc1 25884533 PVJAXNBBUBZIGK-UHFFFAOYSA-N 382.283 3.963 0 40 GHAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCN(c2cccc(Cl)c2)CC1 29490337 YXEZTKQQZYEFEO-SFHVURJKSA-N 377.271 3.646 0 40 GHAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)Sc1ccc(C)cc1 30884470 XSQRPKWMCYHXDJ-MGPUTAFESA-N 396.512 3.857 0 40 GHAB O=C(CCCc1nc2ccccc2s1)NCCN1CCc2ccccc2C1 31338258 MTAQGPMOGJJGQT-UHFFFAOYSA-N 379.529 3.794 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)Cn1ccc3c(Cl)cccc31)CC2 32088821 MQZYGGBEFMLPJX-UHFFFAOYSA-N 384.863 3.897 0 40 GHAB CCc1c(C)sc2nc(NC[C@@H](C)O)n3nc(Cc4ccccc4)nc3c12 32097102 IXZVJMIELJAZIH-GFCCVEGCSA-N 381.505 3.593 0 40 GHAB O=C(NCc1cccc(Oc2ccccc2)c1)C1CCN(C(=O)C2CC2)CC1 32362231 FHCZPQZGFVDMQV-UHFFFAOYSA-N 378.472 3.744 0 40 GHAB CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)no2)cc1 32622159 YFMKNLAXJCCFGP-HXUWFJFHSA-N 397.450 3.912 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)C1=Cc2ccccc2CC1 32679011 JGGGIMDJVPTABR-HNNXBMFYSA-N 384.501 3.944 0 40 GHAB CC(C)[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 32768970 HCCHJAMSBPERGN-VQTJNVASSA-N 377.550 3.982 0 40 GHAB COC(=O)C1(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)CCCCC1 32827359 JPHWKPXMXWFLNJ-UHFFFAOYSA-N 394.471 3.853 0 40 GHAB COc1ccc(-c2nnc(COC(=O)c3cccc4c3O[C@@H](C)[C@H]4C)o2)cc1 32842818 IXNJMQBDYGHXKE-OLZOCXBDSA-N 380.400 3.987 0 40 GHAB Cc1cc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c(C)n1Cc1ccccn1 33010007 ZZRRWGPEBOXOCU-UHFFFAOYSA-N 382.851 3.553 0 40 GHAB Cn1c2ccc(F)cc2c2nnc(SCC(=O)Nc3ccc(F)cc3)nc21 35314419 AQPQHQYHSBDNGJ-UHFFFAOYSA-N 385.399 3.526 0 40 GHAB Cc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)cc1C 36390498 ORDKAQVWZJSWLQ-MRXNPFEDSA-N 390.281 3.804 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)cnc12 40081646 LACJRGZGUVBHSI-UHFFFAOYSA-N 390.443 3.782 0 40 GHAB CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1 40112786 SHXHPDJBARATJS-MRXNPFEDSA-N 377.444 3.511 0 40 GHAB O=C(O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(F)c2F)cc1 40288111 CVASUAOHIAUWID-GOSISDBHSA-N 398.369 3.566 0 40 GHAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 42379923 XTGTXPPGHRGOOU-GFCCVEGCSA-N 395.444 3.801 0 40 GHAB O=[S@@](CCSc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 47203398 YMVDUGBQMIERAO-AREMUKBSSA-N 380.498 3.715 0 40 GHAB COC(=O)c1cc(-c2csc(NC(=O)c3cc(Cl)c(Cl)n3C)n2)c[nH]1 47436036 LHYUMMQKXUNCNG-UHFFFAOYSA-N 399.259 3.822 0 40 GHAB Cc1nc2cc3c(cc2n1C[C@@H](O)c1ccc(OC(F)(F)F)cc1)OCCO3 51288732 ZMTJKWOOPVPVMR-MRXNPFEDSA-N 394.349 3.748 0 40 GHAB CC(=O)N[C@H](C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F)C1CCCC1 53464870 DDIONAHTKFCANU-BZNIZROVSA-N 379.407 3.731 0 40 GHAB CCCCN(C)C(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C 57478575 CFUUKDPIAHOOOL-UHFFFAOYSA-N 381.567 3.855 0 40 GHAB O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1csc(Br)c1 58179598 POCXGLIXGKPVJX-UHFFFAOYSA-N 385.258 3.739 0 40 GHAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 58406554 VXEDIPVFSIVTQS-UWVGGRQHSA-N 385.213 3.514 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Cn1nc(-c2cccs2)ccc1=O 61984099 UGAMZQAGUGDFKT-AWEZNQCLSA-N 383.473 3.564 0 40 GHAB COc1ccc(-c2cnc(CSc3nc4ccccc4c(=O)n3C)o2)cc1 65279493 HOYMOQFPYODXGS-UHFFFAOYSA-N 379.441 3.889 0 40 GHAB O=C(OCCCc1cccnc1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 66518304 HRFLZQKEIIYSMG-HNNXBMFYSA-N 393.270 3.917 0 40 GHAB CC(C)(C)c1cc(C[C@@H]2C[C@H](NS(=O)(=O)c3ccccc3)C2(C)C)no1 67890226 KULCEXSRAIOZCV-PBHICJAKSA-N 376.522 3.908 0 40 GHAB biogenic,in-vitro COc1ccc2c(c1)c([C@@H]1CN(CCc3ccccc3)C[C@H]1N(C)C)cn2C 72395500 QJGJGDRDZVBUNP-LADGPHEKSA-N 377.532 3.759 0 40 GHAB Cc1cc(S(=O)(=O)NC[C@@](C)(O)c2cccs2)c(Cl)cc1Cl 77186777 MJQHLWWTDRACKZ-CQSZACIVSA-N 380.318 3.549 0 40 GHAB COc1ccccc1C[C@H](C)CC(=O)NCCc1nnc(-c2ccccc2)o1 78998337 ZKDPPPIZXZQYAI-INIZCTEOSA-N 379.460 3.673 0 40 GHAB CN(C)CCOc1cc(C(=O)Nc2ncccc2OCC2CCCCC2)ccn1 95453123 OBVHBHWZALZMET-UHFFFAOYSA-N 398.507 3.628 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H](CNCc2ccnc(OC(C)(C)C)c2)C1 95455359 GXQJUAGLXFWIRA-QGZVFWFLSA-N 377.529 3.996 0 40 GHAB O=C(Nc1cccc(F)c1)[C@H]1C[C@@]12CCN(C(=O)NCc1cccc(F)c1)C2 96227233 RGJPGSKXGSLCBH-WIYYLYMNSA-N 385.414 3.525 0 40 GHAB Cc1cccc(C)c1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C1=O 96900845 ISIBQCTYOALSME-HJNYFJLDSA-N 399.450 3.750 0 40 GHAB COc1ccc(CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OC 104021958 RAIGIQKVMVBDES-LISAXSMJSA-N 391.508 3.509 0 40 GHAB COc1ccc2ccccc2c1[C@H]1C=C(c2ccccc2)Nc2[nH]c(=O)[nH]c(=O)c21 104781846 PBNMQSATAQHXSS-QGZVFWFLSA-N 397.434 3.824 0 40 GHAB CS(=O)(=O)N(CCCC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1 113956596 FTAMFNFLCZZYRW-UHFFFAOYSA-N 384.860 3.664 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 113966094 SCYGPUPXCBHMGD-KRWDZBQOSA-N 388.533 3.798 0 40 GHAB Cc1cc2ncc(CCCNC(=O)CCc3ccc(C(F)(F)F)cc3)cn2n1 207995200 UGBYRHJYVIUGIG-UHFFFAOYSA-N 390.409 3.738 0 40 GHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 219318605 VPBVRCPAZSXJBX-WOJBJXKFSA-N 389.517 3.823 0 40 GHAB CN(CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 219426820 DBRCGTNYUNPLBQ-UHFFFAOYSA-N 383.511 3.680 0 40 GHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 219598876 JUYGDHDLRXBUGH-SFHVURJKSA-N 381.432 3.527 0 40 GHAB CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 220305890 QMFSFKYCPZMKND-CQSZACIVSA-N 392.496 3.744 0 40 GHAB Cc1cc(C)cc(N(CCCC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1 222568981 OVXZCQZAWNCBTN-UHFFFAOYSA-N 392.565 3.856 0 40 GHAB Cc1ccc(CNC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1 223098550 WYZKFUMFFDMHBW-UHFFFAOYSA-N 397.272 3.559 0 40 GHAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(O[C@H]2CCSC2)nc1 225711899 ASHGCIZBODTQMR-AWEZNQCLSA-N 384.486 3.737 0 40 GHAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 240738757 APPKPHOIJPXWDV-UHFFFAOYSA-N 393.679 3.564 0 40 GHAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cn1nc(-c2ccc(C)cc2)[nH]c1=S 245225491 WAQONBKFBKDSSV-BBWFWOEESA-N 386.521 3.680 0 40 GHAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cnc(C)cn3)o2)c1 257304002 SJRHNJLPFIINIX-FQEVSTJZSA-N 392.459 3.740 0 40 GHAB CN1CCN(Cc2ccco2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 306128497 HCGJBBHSVFOWEO-IBGZPJMESA-N 379.489 3.540 0 40 GHAB O=C(Nc1cccc(Cl)c1)N1C[C@H]2Cc3cnc(NCC4CC4)nc3[C@@H]2C1 306141250 VPXIHCBZYOLLEO-RHSMWYFYSA-N 383.883 3.756 0 40 GHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1 408705974 RTAOLLGDRQUIJL-UHFFFAOYSA-N 376.478 3.512 0 40 GHAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OC)c(OC)c2)S1 408805744 LEHHQTVUFZVJQH-UHFFFAOYSA-N 385.465 3.784 0 40 GHAB CN(Cc1cccc(O)c1)C(=O)CNC(=O)c1sc2ccccc2c1Cl 515926629 XLTHSYYIRXVCJH-UHFFFAOYSA-N 388.876 3.649 0 40 GHAB CCn1ccnc1CN(C/C=C\c1ccccc1OC)[C@H]1CC12CCNCC2 562630667 JMIOXBFYGTZSMH-LHFJYWTJSA-N 380.536 3.569 0 40 GHAB O=C(O)Cc1cccc(C(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)c1 644875462 WKGNAZMPJGYAGZ-UHFFFAOYSA-N 384.501 3.669 0 40 GHAB COc1ccc([C@H](Cc2ccccc2)NC(=O)N2C[C@@H](C)[C@@](C)(CO)C2)cc1 664927045 OMTMEYAEGFKGTH-FRGLQRNOSA-N 382.504 3.639 0 40 GHAB CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)N[C@H]1CC[C@@H](CO)CC1)OCC3 677572813 CQFZDWDTARMFMW-SDWUMEBZSA-N 398.547 3.966 0 40 GHAB COC[C@@H](C)N(C(=O)c1ccc(C(=O)OC)cc1F)[C@@H]1CCc2ccccc21 1543616071 CPOOCDYFVQIUEF-JLTOFOAXSA-N 385.435 3.777 0 40 GHAB CCOc1ccccc1CN1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615123754 VAPUGXSFDINBFQ-UHFFFAOYSA-N 398.478 3.622 0 40 GHAB CC(C)Sc1ccc(CC(=O)NCc2cc(-c3ccncc3)nn2C)cc1 1775966193 XPUFRDWXCCBIFX-UHFFFAOYSA-N 380.517 3.842 0 40 GHAB CC(=O)N1CCN(Cc2scnc2C)C[C@H](Cc2cccc3cccnc23)C1 2037846817 YHJRGXQAOSFOEZ-SFHVURJKSA-N 394.544 3.523 0 40 GHAB COc1ccc2[nH]c(=O)c(CN(C(=S)NCC(C)C)C3CCCC3)cc2c1 880138 GLCATSCLUYJTSG-UHFFFAOYSA-N 387.549 3.812 0 40 GHAB Clc1ccc(OCc2nnc3c4cnn(-c5ccccc5)c4ncn23)cc1 1000826 WJHXJKUEKWQLIR-UHFFFAOYSA-N 376.807 3.696 0 40 GHAB COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)CC2 1099214 JSVZKBNUSQFPIM-UHFFFAOYSA-N 389.517 3.748 0 40 GHAB O=C(NC1CCCC1)[C@@H](c1ccco1)N(C(=O)c1csnn1)c1ccccc1 1357066 DJEQMSJRIYBYDI-GOSISDBHSA-N 396.472 3.578 0 40 GHAB Cc1cc(OCNC(=O)c2ccc(F)cc2)nc(SCc2ccccc2)n1 1447758 RHISKRRKYRWRLM-UHFFFAOYSA-N 383.448 3.983 0 40 GHAB CC(=O)O[C@@]12CCC(C)=CC[C@]13CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)O)OC3=O 1612850 GOHMRMDXUXWCDQ-JOCRUOLFSA-N 388.460 3.718 0 40 GHAB O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)N(c1ccccc1)c1ccccc1 1703845 JBRTTYMKLZTNNP-FQEVSTJZSA-N 376.412 3.936 0 40 GHAB CCCNC(=O)c1cc2ccc(OC(=O)c3ccccc3Cl)cc2oc1=O 1810897 VLQFVGDJVVTYHI-UHFFFAOYSA-N 385.803 3.805 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccc2c(c1)OCO2 2725752 PDJHBWNYEGRGQX-UHFFFAOYSA-N 397.862 3.860 0 40 GHAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)NCc1ccc(Cl)cc1 3312557 PDLDZCCPXRFFFS-UHFFFAOYSA-N 394.858 3.850 0 40 GHAB C[C@@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 3316576 GASAFGRDRSPZLM-GFCCVEGCSA-N 380.366 3.955 0 40 GHAB COc1cc(OC)cc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)c1 3397887 UXMHEYMQGLMPJI-UHFFFAOYSA-N 385.460 3.688 0 40 GHAB CC(=O)c1cc(Br)ccc1OCC(=O)N(C)Cc1cccs1 3454127 BRCMHJCHLYOQSX-UHFFFAOYSA-N 382.279 3.751 0 40 GHAB O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1cccc2ccccc12 4090583 UEFFDYGLXSCYEE-UHFFFAOYSA-N 391.496 3.803 0 40 GHAB CCCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1 4161416 WBLIJYKVTJMEOZ-UHFFFAOYSA-N 388.522 3.636 0 40 GHAB CN(C)c1ccc([P@](=O)(OCc2ccccc2)[C@H](O)c2cccnc2)cc1 4325423 XPKUQUNAYWMZOV-IDISGSTGSA-N 382.400 3.959 0 40 GHAB COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccncc2)c1OC 4329929 MUDZEPBSMWZZNA-IBGZPJMESA-N 378.432 3.537 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1 5111502 KNEIKQIPSXBSBQ-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB O=S(=O)(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccccc1 5144774 QMIKUUMCXBWYPA-UHFFFAOYSA-N 380.473 3.545 0 40 GHAB CC[C@H](C)NC(=O)CSc1nc2sc(C)c(C[C@H](C)CC)c2c(=O)[nH]1 5272135 IGELHKHABZNKLB-MNOVXSKESA-N 381.567 3.888 0 40 GHAB O=C1C(=O)N(CN2N=C(c3cccs3)C[C@H]2c2ccco2)c2ccccc21 5427896 AZDPFNSWJLPLJA-INIZCTEOSA-N 377.425 3.679 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2nc(-c3cccc(C)c3)n[nH]2)c1 5520069 GFZILGBBAODHHG-UHFFFAOYSA-N 384.461 3.528 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccc(C)c3)sc2c1 6207018 WQDKRNBTSYRPFF-UHFFFAOYSA-N 384.486 3.690 0 40 GHAB O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1COc2ccccc2O1 6219448 KFZJTTANNKJRIU-OAHLLOKOSA-N 385.470 3.609 0 40 GHAB O=C(NCc1ccccc1)c1ccccc1OCC(=O)N1CCc2ccccc21 6220081 AJGDJHRUHGWBKN-UHFFFAOYSA-N 386.451 3.585 0 40 GHAB Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CCn1ccccc1=O)n2C 6665125 UJDDFWHHMRFZJG-UHFFFAOYSA-N 386.455 3.538 0 40 GHAB O=C(c1cc(S(=O)(=O)N2CCCCCC2)cs1)N1CCc2ccccc21 6680809 NHRMHRJCUNYJDR-UHFFFAOYSA-N 390.530 3.516 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NC4CCCCC4)ccc32)cc1 6766947 KYQTUHFVXPSTHU-UHFFFAOYSA-N 398.528 3.809 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(C)c1)S2 6812088 NFZMRMDAYCMYAP-QZTJIDSGSA-N 397.479 3.686 0 40 GHAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)NCc1ccc(Cl)cc1Cl 7136971 CPNUZPQURVDVNE-UHFFFAOYSA-N 394.283 3.682 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7268764 QYGRRUGJUPHIRG-FXAWDEMLSA-N 386.451 3.833 0 40 GHAB CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 7608568 JPUMRHVLCZGPAT-CYBMUJFWSA-N 380.897 3.693 0 40 GHAB CCCc1cc(=O)[nH]c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)n1 7654140 KLWLTHNQKNROEK-ZDUSSCGKSA-N 389.546 3.732 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)no1 7790116 CBBSLBOICDGREJ-UHFFFAOYSA-N 394.460 3.789 0 40 GHAB Cc1nn(C)c(C)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 7885221 LXPOUGVBKDWDFY-NRFANRHFSA-N 390.443 3.532 0 40 GHAB CSc1ccc(CN(C)CC(=O)NC(=O)NCCC2=CCCCC2)cc1 7987162 CWLJEFZFHAIBKM-UHFFFAOYSA-N 375.538 3.557 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)Cn2ncc(=O)c3ccccc32)cc1 8074040 XTMZXYVELLAFFI-FQEVSTJZSA-N 391.471 3.549 0 40 GHAB CC(CNC(=O)c1n[nH]c(=O)c2ccccc12)(c1ccccc1)c1ccccc1 8215874 ITUZNVQMKIRCSC-UHFFFAOYSA-N 383.451 3.659 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)N(C)Cc2c(F)cccc2Cl)cc1 8293374 JIKYXEQZHXOTIT-UHFFFAOYSA-N 383.872 3.610 0 40 GHAB O=C(NC1CCCCC1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 8665065 LBBSEMWCMIREJN-UYRXBGFRSA-N 392.455 3.635 0 40 GHAB O=C(c1ccccc1)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 8855119 DAYKRWFSEVQELP-UHFFFAOYSA-N 387.414 3.905 0 40 GHAB CCc1ccccc1NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 8936869 DCPGZLKKWPPZCY-UHFFFAOYSA-N 378.519 3.737 0 40 GHAB O=C(NCCCc1ccccc1)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 9053893 PUPOFLSZZQGHDU-FQEVSTJZSA-N 389.499 3.769 0 40 GHAB CCc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(C)cc2)cc1 9237360 ODHHOGODVRACHM-RTBURBONSA-N 393.516 3.855 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1cccc(F)c1 9355768 OLPVVCCPQDMJLB-UHFFFAOYSA-N 376.453 3.689 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 9425804 KAMPRXHQHOJEOJ-AWEZNQCLSA-N 394.876 3.627 0 40 GHAB COC(=O)[C@H](Cc1ccc(Cl)cc1)Sc1nc2c3ccccc3ncn2n1 9690952 ZUSKWPMXGLKPPE-INIZCTEOSA-N 398.875 3.807 0 40 GHAB COc1ccc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 9911752 RWAODNWRLAGSDY-JOCHJYFZSA-N 385.460 3.749 0 40 GHAB CCN(c1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)cc1)S(C)(=O)=O 10009987 UXUJNSARIWAIRU-UHFFFAOYSA-N 390.505 3.613 0 40 GHAB O=C(NC[C@H](c1cccc2ccccc12)N1CCCC1)C(=O)Nc1ccccc1 10334123 ORNVHDKAEBPDPW-JOCHJYFZSA-N 387.483 3.732 0 40 GHAB O=C(Cc1n[nH]c(=S)n1Cc1ccccc1)Nc1ccc(F)c(Cl)c1 10490370 KBWLKMCNCFYRLZ-UHFFFAOYSA-N 376.844 3.963 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)s1)C1CC1 10547029 LZZPDLLMPFJOCD-CQSZACIVSA-N 394.500 3.993 0 40 GHAB COc1cc(OC)c(OC)cc1CN1CCC(c2cc3cccnc3[nH]2)CC1 12133375 NKNOUSSPMCOXDA-UHFFFAOYSA-N 381.476 3.968 0 40 GHAB O=C1NCCCC12CCN(Cc1cccc(OCc3ccc(F)cc3)c1)CC2 12227994 DQTUPPIWICXIED-UHFFFAOYSA-N 382.479 3.897 0 40 GHAB CCCO[C@H]1CCCN(Cc2c(C)n(CC(=O)NC3CC3)c3ccccc23)C1 12241479 QZAKHXKXUVIXHR-IBGZPJMESA-N 383.536 3.619 0 40 GHAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)CCC2 12330144 PLUDDOXJYPWKRH-FGZHOGPDSA-N 379.500 3.559 0 40 GHAB COc1ccc2c(=O)c(Oc3ccc(C(=O)NC[C@H]4CCCO4)cc3)coc2c1 12442642 KMWUHGJRDZBDGO-QGZVFWFLSA-N 395.411 3.503 0 40 GHAB biogenic COC(=O)c1ccc2c(O)nc(CN(C)Cc3ccc(C(C)C)cc3)nc2c1 12818067 GAJMDSWFTJIELL-UHFFFAOYSA-N 379.460 3.877 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 12867231 NLIYNTVVUUDGJU-AWEZNQCLSA-N 399.882 3.561 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(C)cc1 12912736 OSVUYNPCORROQU-OAHLLOKOSA-N 376.359 3.523 0 40 GHAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N[C@@H](c1ccccc1)C1CC1 12912895 FLZQRKHOJRTIBK-QFIPXVFZSA-N 387.483 3.945 0 40 GHAB Fc1ccc(-c2nnn(CN3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cc1 12936396 FCVJQWDIRYHGEP-OAHLLOKOSA-N 394.479 3.926 0 40 GHAB O=C(CCc1nc(-c2ccco2)no1)Nc1ccccc1C(=O)N1CCCCC1 12943737 QUEDQRYKVCWNDP-UHFFFAOYSA-N 394.431 3.527 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1cccc2ccccc12 14594889 ZFDNWYTUYQIEIM-UHFFFAOYSA-N 395.411 3.661 0 40 GHAB O=S(=O)(NCc1ccc(CN2CCCC2)cc1)c1ccc2ccccc2c1 15335971 GQAGBWHNPZJNEM-UHFFFAOYSA-N 380.513 3.914 0 40 GHAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2cccc(Cl)c2)c1 15990075 VBTNASPTKQTYOZ-UHFFFAOYSA-N 394.924 3.641 0 40 GHAB CCOc1ccc(CCNC(=O)c2ccc(Br)o2)cc1OCC 16645293 SWLOWLDAJLKZLN-UHFFFAOYSA-N 382.254 3.812 0 40 GHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cnn(Cc2ccc(Cl)c(Cl)c2)c1 18212115 UTTYAVBIROUIHG-OKILXGFUSA-N 378.259 3.918 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)CCn3ccnc3C)[C@H]3CCCC[C@H]32)cc1OC 19288065 MITHARGOEQXFAR-PNQHUFSXSA-N 397.519 3.687 0 40 GHAB Cn1ccnc1C1(O)[C@H]2CCC[C@@H]1CN(Cc1cccc(Cl)c1Cl)C2 19291407 CEBYZSKJADWSBO-RTHVDDQRSA-N 380.319 3.847 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)Cc1cccs1 19570933 KXXLXKVVTANSBQ-SFHVURJKSA-N 381.501 3.738 0 40 GHAB CCc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 20732184 IKDWTPKKAODHIB-MRXNPFEDSA-N 395.850 3.683 0 40 GHAB COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)n[nH]2)cc1 21017192 JJAVNJTYQWNFGF-UHFFFAOYSA-N 390.487 3.665 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)NCCc3ccccn3)s2)cc1OC 21774878 IHZXWBAOHPVBPH-UHFFFAOYSA-N 383.473 3.503 0 40 GHAB C[C@H](c1ccccc1)N(C)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 22981585 QIQIKXVXKDWCSU-GFCCVEGCSA-N 390.270 3.923 0 40 GHAB Cc1cc2ncc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)c(C)n2n1 23175306 WFMKNYPTIFFVCJ-UHFFFAOYSA-N 399.454 3.528 0 40 GHAB O[C@H](COc1ccc(Cl)cc1)CN1CCN(c2cccc(Cl)c2)CC1 23211908 RHUYCSDNRLNNNO-SFHVURJKSA-N 381.303 3.555 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606463 RYHYGEIKBJMVCH-CYBMUJFWSA-N 398.937 3.749 0 40 GHAB O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@H]1CCSc2ccc(F)cc21 24752568 KSEOGCNPHMXSSI-KRWDZBQOSA-N 398.459 3.555 0 40 GHAB C[C@@H](NC(=O)CNc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1Cl 25620346 ZDOLYBTVTLKLIU-OAHLLOKOSA-N 385.895 3.865 0 40 GHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1OC 25653247 HTCVCWNEHUMQGZ-UHFFFAOYSA-N 377.506 3.822 0 40 GHAB COc1ccc2nc(C)c(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2c1 25804883 BHIMPXGMNWNFJB-UHFFFAOYSA-N 390.487 3.556 0 40 GHAB COc1ccc(-c2nnc([C@H](C)OC(=O)COc3ccc(C)cc3OC)o2)cc1 27426169 IRLPYDHIERUGNQ-AWEZNQCLSA-N 398.415 3.745 0 40 GHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)C1(C)C 27988796 HJFHVMGLJCACES-WFASDCNBSA-N 378.519 3.877 0 40 GHAB COc1ccc2nc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)sc2c1 29257424 KUATURDOERPGGD-UHFFFAOYSA-N 397.456 3.671 0 40 GHAB C[C@H](C(=O)Nc1cccc2ncccc12)n1nnc(-c2ccc(Cl)cc2)n1 31654368 ZSAQEYLBZXCFDA-GFCCVEGCSA-N 378.823 3.741 0 40 GHAB O=C1Nc2ccccc2[C@]12CC(O)=Nc1c2cnn1Cc1ccc(Cl)cc1 32101926 RPADBQRFNVMENN-FQEVSTJZSA-N 378.819 3.815 0 40 GHAB COc1ccc(-c2noc(-c3ccc(OCC(=O)NCCC(C)C)cc3)n2)cc1 32579011 KSFQNQSIDQLKOU-UHFFFAOYSA-N 395.459 3.953 0 40 GHAB COc1cccc(C(=O)OCC(=O)N[C@H](c2ccccc2)c2cccs2)c1O 32745198 SAEWLBDSXMDPAF-LJQANCHMSA-N 397.452 3.525 0 40 GHAB CCC(CC)[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccccc1 32916482 UBHYHLRVFXZHLO-IBGZPJMESA-N 388.489 3.587 0 40 GHAB CCCc1noc(CCC(=O)NCc2ccccc2CN2CCC(C)CC2)n1 32930425 PSOKNHPEBCLACV-UHFFFAOYSA-N 384.524 3.503 0 40 GHAB CCOC(=O)C1CCN(C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)CC1 32998163 IUBUQDSAJHWGKA-UHFFFAOYSA-N 386.517 3.771 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)NC(SCCC(=O)O)=N1 33695921 GHYFQAMZAFXXIF-IBGZPJMESA-N 395.484 3.808 0 40 GHAB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccccc2F)SC1=S 35648681 SYUMGYJBXUIHIZ-KFXIKWRMSA-N 387.457 3.723 0 40 GHAB CSc1ccccc1NC(=O)Cn1c(-c2cnccn2)nc2ccccc21 36708670 DMHUVCWXKHYPGD-UHFFFAOYSA-N 375.457 3.854 0 40 GHAB COc1ccc([C@@H]2CCCN2C[C@H](O)c2cc(F)ccc2OC)c(OC)c1 36734406 JUKSONIFRMKDHP-OALUTQOASA-N 375.440 3.722 0 40 GHAB COc1ccccc1-n1cc(-c2ccccc2)c2c(N3CCN(C)CC3)ncnc21 39404164 SPNLEASKFHCRMI-UHFFFAOYSA-N 399.498 3.848 0 40 GHAB C[C@@H]1CCCN(Cc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)C1 40107900 NXQVTXDZHCPVEX-MRXNPFEDSA-N 386.517 3.574 0 40 GHAB O=C(NCCC(=O)N1CCCc2ccccc21)c1csc(-c2ccsc2)n1 40122581 BQBVAEQTLSPAIA-UHFFFAOYSA-N 397.525 3.971 0 40 GHAB COc1ccc(CN(C)C(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)cc1 40129474 QZXHPXFEWKXAGT-UHFFFAOYSA-N 381.451 3.838 0 40 GHAB COc1ccccc1CCNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40141253 XLPIOPSHQOVLPN-UHFFFAOYSA-N 397.425 3.620 0 40 GHAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44852836 DZYSEYKJUVIBOO-QUCCMNQESA-N 384.495 3.930 0 40 GHAB COc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3n2C)c(OC)c1 46882470 ZKZOARBGIYTAEH-UHFFFAOYSA-N 391.880 3.975 0 40 GHAB O=C(NC[C@H]1Cc2ccccc2O1)Nc1cccc(COC[C@H]2CCCCO2)c1 47627228 LZXJMNDJRGQEGV-NHCUHLMSSA-N 396.487 3.898 0 40 GHAB CCS(=O)(=O)Nc1ccc(NC(=O)CCc2cccc(Cl)c2)cc1OC 48365075 FJNGNKPIICIIQU-UHFFFAOYSA-N 396.896 3.682 0 40 GHAB COc1cccc(CN2CN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)c1 49411451 UFLRYVQETUACOJ-UHFFFAOYSA-N 395.484 3.699 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c(OC)c1OC 52492374 GIVHRCIRGKNRAQ-ZDUSSCGKSA-N 393.867 3.758 0 40 GHAB Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CCN(CC2CC2)CC1 54838894 RDLSQWUYPSNHIZ-MRXNPFEDSA-N 384.549 3.917 0 40 GHAB Cc1ccc2nc(CNC(=O)c3ccccc3C(=O)c3cccs3)cn2c1 57268312 HMMDBLNWWPBGOQ-UHFFFAOYSA-N 375.453 3.865 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)NCc3cccnc3N(C)C)ccc2s1 57996310 REKBFBWEZJRAFT-UHFFFAOYSA-N 398.488 3.861 0 40 GHAB c1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(c3ncccn3)CC2)cc1 58020211 GDQGEISYVJLYQU-UHFFFAOYSA-N 396.498 3.652 0 40 GHAB CCn1nnc2cc(C(=O)Nc3ccccc3Sc3nccn3C)ccc21 58156733 DFVHFTGIJCSVRR-UHFFFAOYSA-N 378.461 3.588 0 40 GHAB CCOc1ccc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1OCC 59039512 FDXXVCKGJZLGLH-UHFFFAOYSA-N 395.459 3.601 0 40 GHAB O=C1C[C@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)Nc3ccccc3F)cc21 64959054 OJIDTSWULHPZJD-CQSZACIVSA-N 376.387 3.679 0 40 GHAB Cc1ccc(-c2nnc(NC(=O)c3cccc(C[S@@](C)=O)c3)s2)c(C)c1 65122784 UMKNPJGAZQLZGM-SANMLTNESA-N 385.514 3.953 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2cncc(Oc3cccnc3C)n2)o1 72384118 MPBKOTUBZHTDLB-INIZCTEOSA-N 379.420 3.554 0 40 GHAB CC(=O)N1CCc2nc([C@H]3CCCN(CC[C@@H](C)c4ccccc4)C3)ncc2C1 72397273 YPRZMOMGEDIHOP-NQIIRXRSSA-N 392.547 3.754 0 40 GHAB CCCN(CCC)Cc1cc(C(=O)NCCCOc2ccc(F)cc2)no1 79111999 KMBYQERXMOYVQV-UHFFFAOYSA-N 377.460 3.635 0 40 GHAB CCOc1ccccc1Nc1nnc(SCc2nnc(C)n2CC)s1 83836912 LKGDYIMURUBXHO-UHFFFAOYSA-N 376.511 3.893 0 40 GHAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCCC(=O)NCc1ccccc1 84636991 APJXXALRUULUMT-GOSISDBHSA-N 381.520 3.749 0 40 GHAB O=C(NCC[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1Cc2ccccc2S1 95408292 XVMHEUFUKQUOGR-AEFFLSMTSA-N 381.419 3.660 0 40 GHAB Cc1nc(NCC2CC2)nc2c1COC[C@@]21CCN(Cc2cccc(Cl)c2)C1 96244519 QDKABLXMNNEUCL-QFIPXVFZSA-N 398.938 3.934 0 40 GHAB Cc1c(C)n(-c2ccc(Br)cn2)c2ncn(Cc3ccco3)c(=N)c12 101029782 ZXJNSRQHKNBUSQ-UHFFFAOYSA-N 398.264 3.722 0 40 GHAB NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1c1ncnc2scc(-c3ccccc3)c12 110572277 WDBLGKMKELIUNG-BHYGNILZSA-N 378.501 3.981 0 40 GHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccncc2)S1 222602124 UAQUQCMOTDNAQC-YSGRDPCXSA-N 375.501 3.916 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 222729148 XUJVXNYLBGEFGK-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 222821855 BECBDYUNGZROBK-UXHICEINSA-N 377.517 3.707 0 40 GHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 222866654 SFPJWRPIRGKKET-PMACEKPBSA-N 377.517 3.709 0 40 GHAB Cc1cccc(-c2noc(CNC(=O)COc3ccc4c(c3)CCCC4)n2)c1 222883095 GESDJLOHLSKCJZ-UHFFFAOYSA-N 377.444 3.619 0 40 GHAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)NCCCOC)cc1 222887862 OUNVVIJXDBXKKE-OAQYLSRUSA-N 398.503 3.811 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1Cl 223580775 WKHOLPPPENVVIG-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB Cc1ccc(OCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225563401 ITGABNXNTVUXFL-UHFFFAOYSA-N 397.544 3.987 0 40 GHAB Cc1ccc(C)c(N2CCN(C(=O)c3ccnc(O[C@@H]4CCSC4)c3)CC2)c1 225722142 UVAAVJMQRXOIGY-LJQANCHMSA-N 397.544 3.545 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCc3ccccc3C2)cc(C(F)(F)F)n1 225890119 KQWBFIXVRZWPSB-UHFFFAOYSA-N 395.454 3.753 0 40 GHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cc(C)ccc1C 225933583 KEKWHHBHIBZMPQ-UHFFFAOYSA-N 394.924 3.915 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1OC 226092269 IQDKWNRDHVLVDE-UHFFFAOYSA-N 395.459 3.982 0 40 GHAB O=C(CSC1=N[C@@H]2SC3=C(CCCC3)[C@H]2C(=O)N1)Nc1ccccc1F 226818349 FHFOPDJUALHSRS-DOTOQJQBSA-N 391.493 3.500 0 40 GHAB CC(C)[C@@H]1COC(=O)N1c1cncc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 257297781 RITSRVXCAJGXML-INIZCTEOSA-N 390.484 3.572 0 40 GHAB Cc1cccc(CN2CCC[C@]3(CN(Cc4ccco4)CC(F)(F)C3)C2=O)n1 306129893 IPUCNHAKJLPCGJ-FQEVSTJZSA-N 389.446 3.633 0 40 GHAB COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc(F)cc4)C2)OC3)cc1 306137431 QWBFRFKDZQHSFZ-HSZRJFAPSA-N 393.462 3.873 0 40 GHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Oc2ccccc2C(C)=O)CC1=O 408662970 NAUSGLNVICBKSH-ZDUSSCGKSA-N 387.819 3.510 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)CC 408696469 BQHWFFNIGHZUSX-UHFFFAOYSA-N 382.869 3.888 0 40 GHAB Cc1ccc(C)c(N(CCCC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1 408703824 YQMWGVKOALINBA-UHFFFAOYSA-N 388.533 3.508 0 40 GHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O 409103126 AWCGQOJCJXKPGK-CEITULEQSA-N 383.853 3.725 0 40 GHAB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)OC)c(OCC)c2)c2ccccc21 409122314 XTQUKZWQFBLMOA-AQTBWJFISA-N 395.455 3.934 0 40 GHAB O=C(NCc1csc(-c2ccccc2)n1)N1CC[C@@H](n2cc(Cl)cn2)C1 516520221 IOWCEMPVRSRMEC-MRXNPFEDSA-N 387.896 3.817 0 40 GHAB COC1([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CCC1 521396607 RVWCVNQNJUZGPJ-IBGZPJMESA-N 381.428 3.547 0 40 GHAB C[C@H]1CN(c2ccc(NC(=O)c3sccc3-n3cccc3)cn2)C[C@H](C)O1 527273774 UDIOFRSVRMRSJX-GJZGRUSLSA-N 382.489 3.800 0 40 GHAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2cc4ccccc4[nH]2)C3)n1 575402336 AVBLBNZYYZAGFM-GOSISDBHSA-N 393.512 3.788 0 40 GHAB Cn1ccc(C(=O)N2CCC[C@@]23CCCN(c2ncnc4ccsc24)CC3)c1 585100270 JFMIKUKSKKVBLJ-OAQYLSRUSA-N 395.532 3.695 0 40 GHAB C[C@H](C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)N(C)Cc1ccccc1 605400955 UMIDKRWBGQTQHD-QGZVFWFLSA-N 388.471 3.793 0 40 GHAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)Cc3ccc(F)cc3)C2)N1C 643574182 HYVDVLXOAPTAIJ-YADHBBJMSA-N 395.522 3.984 0 40 GHAB CC[C@@H](CSc1ccccc1)NC(=O)N[C@H]1CCCc2c1ccc(=O)n2C 650987126 OTBNNIKJRCLEBH-YJBOKZPZSA-N 385.533 3.633 0 40 GHAB O=C(NCc1cccc(-c2cccnc2)c1)N1CC2(CCOCC2)[C@@H]1C1CC1 655809485 ZSEUGOAQSXRCOC-NRFANRHFSA-N 377.488 3.849 0 40 GHAB CC(C)c1ccc(-c2noc(CN[C@@H](c3cnn(C)c3)C3(CO)CCC3)n2)cc1 660607186 VVOBYDZZVJKCDU-FQEVSTJZSA-N 395.507 3.587 0 40 GHAB CCN(C(=O)c1ccc2c(c1)nc(O)n2C1CC1)[C@H](C)[C@H](O)c1ccccc1 854562880 ISGTVRHNGDQKKP-VLIAUNLRSA-N 379.460 3.661 0 40 GHAB CC(C)Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc(O)n1 1569461006 IJSFTABTIAOWAO-AWEZNQCLSA-N 382.439 3.802 0 40 GHAB O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1ccc(F)cc1 1022983 JNBULRDIKJYBTO-UHFFFAOYSA-N 386.338 3.795 0 40 GHAB COc1ccc(-c2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)cc1OC 1247091 FCSMLONNMFYHCC-UHFFFAOYSA-N 396.472 3.875 0 40 GHAB O=S1(=O)[C@@H](C(O)(c2ccccc2)c2ccccc2)CCCN1c1ccccc1 2028898 QCDCWPKYHIJQLR-JOCHJYFZSA-N 393.508 3.921 0 40 GHAB CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 2151806 OFFLAFFMIABAGV-HNNXBMFYSA-N 375.421 3.700 0 40 GHAB biogenic COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCC(C)CC1 2368531 GZRTYAQSVZPTSV-UHFFFAOYSA-N 377.872 3.668 0 40 GHAB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(OCC)cc1 2463681 LEMKYDZNWRPRQR-WBVHZDCISA-N 388.489 3.687 0 40 GHAB O=C1OCC[C@H]1Sc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 2659841 SNOWLPSRSYRBTA-MRXNPFEDSA-N 386.860 3.506 0 40 GHAB COc1ccc(CN(C)C(=O)c2ccc(I)cc2)cc1 3155725 CYQNBMQDFFLTIF-UHFFFAOYSA-N 381.213 3.572 0 40 GHAB CCOC(=O)c1sc2nc(C)nc(NC[C@H]3COc4ccccc4O3)c2c1C 3343392 WOXMXOUNUDJFFP-ZDUSSCGKSA-N 399.472 3.737 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1 3428961 QGSONPBHEZEYQT-SFHVURJKSA-N 390.480 3.741 0 40 GHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc(Cl)s1 3450634 FQWWKCCJUPJILX-ZDUSSCGKSA-N 381.862 3.631 0 40 GHAB CCn1c2ccccc2c2nnc(SCc3nc4ccsc4c(=O)[nH]3)nc21 3867506 MBERQOYCUOWPTM-UHFFFAOYSA-N 394.485 3.590 0 40 GHAB CC(C)(C)n1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)C[S@](=O)C2 4106180 IOMVLCIMTKQCIH-XMMPIXPASA-N 386.304 3.960 0 40 GHAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccc(Cl)cc1 4479172 FPYMJAFSBKPHKK-UHFFFAOYSA-N 399.237 3.772 0 40 GHAB CCc1cccc2c(C(=O)[C@@H](Sc3nnnn3C)c3ccccc3)c[nH]c12 4807773 QIKLGFAGLBFVKW-IBGZPJMESA-N 377.473 3.970 0 40 GHAB COc1cc(-c2nnc(COC(=O)c3ccc(C)cc3C)o2)cc(OC)c1OC 4826507 XSCXGIHTCPXEBN-UHFFFAOYSA-N 398.415 3.736 0 40 GHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4893535 JKEDKPVLRTUPEO-PKIAMQTDSA-N 377.462 3.510 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCOc2cccc3ccccc23)c2ccc(C)cc21 4987923 KOCMOYWXSHTETI-XMMPIXPASA-N 389.451 3.741 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 4996850 VEIPJVMJWUMRHE-UHFFFAOYSA-N 382.489 3.838 0 40 GHAB CC(=O)Oc1ccc(NC(=O)C[C@H]2Nc3cccc4cccc(c34)NC2=O)cc1 5018889 RKAIEMRCEIZXMZ-LJQANCHMSA-N 389.411 3.527 0 40 GHAB COc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCN(C)CC2)cc1 5296679 QDOCJDGSDDIABI-NRFANRHFSA-N 377.488 3.969 0 40 GHAB COCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2 5562594 ZFHJXKLQOWPJBQ-DLBZAZTESA-N 397.866 3.663 0 40 GHAB Brc1ccc(C2=C[C@H](c3ccc4c(c3)OCO4)n3ncnc3N2)cc1 6585805 RGUNEKOHIXJXAV-OAHLLOKOSA-N 397.232 3.825 0 40 GHAB CC(=O)N[C@H]1C(=O)N(Cc2cccc(Cl)c2)c2ccc(Br)cc21 6669519 RMFRODBLIDPSHD-MRXNPFEDSA-N 393.668 3.827 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2)N1C[C@H]1CCCO1 6752749 FEBVRARWOYOJEP-QVKFZJNVSA-N 375.428 3.507 0 40 GHAB COc1ccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)NC2CCCC2)cc1 6756625 DNSLSMSAPWMIIR-QDEBQFNMSA-N 390.483 3.943 0 40 GHAB CCn1c(SCc2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccncc1 6810752 BTGHWNZUIYJCKH-UHFFFAOYSA-N 394.460 3.711 0 40 GHAB COC(=O)[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c2ccccc2O1 6810871 ISNQHFJDAYWQTD-QRWLVFNGSA-N 383.444 3.545 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(I)c2)c1C 6901572 CTNRRMSRQPTLOF-UHFFFAOYSA-N 382.201 3.691 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1SC 7056696 CWPVCNSPEIIQHS-UHFFFAOYSA-N 388.308 3.980 0 40 GHAB CCc1ccc(-c2noc(CSc3nnc(-c4ccc(F)cc4)n3N)n2)cc1 7113178 KWBUUQAIKDKNKD-UHFFFAOYSA-N 396.451 3.703 0 40 GHAB CN(C)[C@H](CNC(=O)c1ccc(C(=O)c2ccccc2)cc1)Cc1ccccc1 8074787 OTDACHVNBJHPKD-QHCPKHFHSA-N 386.495 3.820 0 40 GHAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccccc1N1CCOCC1 8132368 PKLPZFGZDIITHF-UHFFFAOYSA-N 376.456 3.939 0 40 GHAB O=C(COc1cccc2ccc(N3CCOCC3)nc12)Nc1ccc(Cl)cc1 8769664 NTVBBBYWPWTRMQ-UHFFFAOYSA-N 397.862 3.742 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810328 AOXFEOPRXTWKSM-LLVKDONJSA-N 384.860 3.808 0 40 GHAB CC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 8888418 NWDWROHUJYRGOO-OAHLLOKOSA-N 380.396 3.815 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(C)c2C)cc1 9237845 BMHGCJLBFHXXGC-OALUTQOASA-N 393.516 3.910 0 40 GHAB Cc1cc(OCCCC(=O)Nc2cccc(-c3nnnn3C)c2)ccc1Cl 10085687 ZXPDHVHFCUWLSE-UHFFFAOYSA-N 385.855 3.637 0 40 GHAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NC4CCCC4)cc3C[C@H]2C)cc1 10326424 LZBOLJWWIREPSH-MRXNPFEDSA-N 398.528 3.807 0 40 GHAB CCCOc1ccccc1NC(=O)CN1C(=O)[C@H](C)N(c2ccc(C)cc2)C1=O 11282387 ADCOPERDYDDSAU-INIZCTEOSA-N 395.459 3.580 0 40 GHAB CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cccc(Br)c2)cc1 12070548 NBOGZSJNDLELJV-UHFFFAOYSA-N 396.306 3.812 0 40 GHAB CCN(CC)C(=O)c1cnc(C)nc1-c1ccc(CNC(=O)C2CCCC2)cc1 12232258 RBAMPBXFJOWPDL-UHFFFAOYSA-N 394.519 3.740 0 40 GHAB O=C(CC1CCCCC1)N1CCC(c2nc(O)cc(-c3ccncc3)n2)CC1 12256549 JAKUDJFSWGXWRY-UHFFFAOYSA-N 380.492 3.921 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)C1 12563579 XMNYTFSQARRUDT-GASCZTMLSA-N 390.480 3.745 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(=O)c2ccccc2o1 12591157 RJHGEEQLPQEMNT-CLCXKQKWSA-N 386.444 3.954 0 40 GHAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2OC)cc1 12750781 FPPXLMLZOVIBTH-UHFFFAOYSA-N 384.461 3.654 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1sc(SC)nc1C 12909052 IHVUUNGNVRUTLJ-LLVKDONJSA-N 377.535 3.883 0 40 GHAB O=C(NCc1ccccc1CN1CCCCC1)c1coc(Br)c1 12952580 YJGOIRHMSICGTD-UHFFFAOYSA-N 377.282 3.958 0 40 GHAB Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc2c(c1)CCCC2 13941885 MLIOODGCRNKJGO-UHFFFAOYSA-N 398.557 3.831 0 40 GHAB O=C(c1ccccc1)C1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 14814018 YTFUKTGVJKQWQO-UHFFFAOYSA-N 390.483 3.658 0 40 GHAB CN(C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccc1 15349620 NJDKMLWBDCYCDA-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB CNC(=O)c1ccccc1NC(=O)c1cccc(OCc2csc(C)n2)c1 16708676 BEOWOEQAFNBITD-UHFFFAOYSA-N 381.457 3.642 0 40 GHAB CCCOc1ccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 16779397 OBBYKZCRIJJQCM-GRIAUZHRSA-N 389.480 3.658 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)NCC(=O)Nc1ccc(F)c(F)c1F 18049539 NLCWNZDCNWVNND-UHFFFAOYSA-N 389.377 3.663 0 40 GHAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)CC3CCCCC3)CC2)on1 19121193 XJYHKCZBQVAKDN-UHFFFAOYSA-N 384.480 3.822 0 40 GHAB Cc1cccc(-c2ccccc2C[C@]2(C(N)=O)CCN(C(=O)CC(C)C)C2)c1 19235465 FRXGTMHZSYJSGJ-XMMPIXPASA-N 378.516 3.955 0 40 GHAB COc1cc(CCC(=O)N2CCc3onc(Nc4cccc(C)c4C)c3C2)on1 19235657 SMGAVUKYHVJKDK-UHFFFAOYSA-N 396.447 3.549 0 40 GHAB Cc1cnccc1C(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 19239436 MQAVTYHGZHWUDT-DAXOMENPSA-N 393.413 3.871 0 40 GHAB CC(C)c1nc2c(c(N3CCOCC3)n1)CCN(Cc1cccc(Cl)c1)C2 19453709 PANAJHOUUYOGED-UHFFFAOYSA-N 386.927 3.648 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)C2CC2)C1 19591007 KVLZNDWIEPLUIK-QFIPXVFZSA-N 382.529 3.722 0 40 GHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCN(Cc2cccnc2)C1 19591762 OJIPYRSUYSHEJL-RUZDIDTESA-N 385.511 3.929 0 40 GHAB CCC(C)(C)NC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(C)=O 19696623 RGFNNAJVUBGAMN-QFIPXVFZSA-N 383.492 3.570 0 40 GHAB COc1ccccc1N1CCN(Cc2cc(Cl)c(O)c3ncccc23)CC1 19830962 OKXDBCQHYZUIMW-UHFFFAOYSA-N 383.879 3.925 0 40 GHAB CCCN1CCc2c(sc3[nH]c(=S)n(-c4ccc(OC)cc4)c(=O)c23)C1 19940028 DYWRGBXDVALWCM-UHFFFAOYSA-N 387.530 3.886 0 40 GHAB CCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(OC)c(OC)c3)nc2c1 20412080 IHYDNXSQWUTCLO-UHFFFAOYSA-N 385.445 3.735 0 40 GHAB CN(Cc1ccsc1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 23883221 NTQKLBDECUJFCY-UHFFFAOYSA-N 391.496 3.633 0 40 GHAB Cc1cc(=O)n2nc(COC(=O)c3oc4c(Cl)cccc4c3C)sc2n1 24225366 SXZNYRLONQCREY-UHFFFAOYSA-N 389.820 3.524 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606402 DYSIGWNUNLCHOX-INIZCTEOSA-N 392.546 3.658 0 40 GHAB O=C(CN1CCCN(Cc2ccc(F)cc2)CC1)Nc1cccc2ncccc12 25075702 IAEBUNUOMULSIV-UHFFFAOYSA-N 392.478 3.520 0 40 GHAB CCCCCOc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)c2ccccc12 28251866 RFBRZCAFVJPAFI-INIZCTEOSA-N 377.506 3.866 0 40 GHAB C[C@H]1CN(c2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cn2)C[C@H](C)O1 30016182 CSICJJPFXPLSER-STQMWFEESA-N 377.391 3.549 0 40 GHAB Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ccc(N(C)C)nc1 30558801 XTSIQOPKPCEFRW-UHFFFAOYSA-N 387.281 3.881 0 40 GHAB Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(C)s1 32550734 WRFMHIMUHGIUOU-OAHLLOKOSA-N 379.503 3.662 0 40 GHAB O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)[C@H]1CCCC[C@H]1C(=O)O 32610737 GRSDYVJMYIEISQ-UONOGXRCSA-N 395.818 3.542 0 40 GHAB Cc1cccc(Cc2cnc(NC(=O)CSc3nc(C4CC4)n[nH]3)s2)c1 32778376 XFBPESHDNXNLQX-UHFFFAOYSA-N 385.518 3.769 0 40 GHAB NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 32903071 XZGBKLAQEQERPA-UHFFFAOYSA-N 393.774 3.650 0 40 GHAB COCCN(CCOC)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 33026369 HVWBEWJFYHAEGD-UHFFFAOYSA-N 395.455 3.503 0 40 GHAB CCC(CC)C(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1 33268538 PPNKOTUFMMRNKU-UHFFFAOYSA-N 379.460 3.957 0 40 GHAB O=C(c1cccc2ccccc12)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 38727960 AULMGXWNAOLRRN-UXHICEINSA-N 390.508 3.989 0 40 GHAB Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)ccc1Br 39976069 SACWZPHYLGWDLG-CQSZACIVSA-N 377.238 3.594 0 40 GHAB Cc1ccnc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1 40086544 VDDXTKYEVXZVNB-OAHLLOKOSA-N 378.259 3.940 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCCO3)C1 40090857 XFAQCVVUXZCDBO-HZPDHXFCSA-N 394.471 3.828 0 40 GHAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 49006330 LMOJPXFSWVLSIN-UHFFFAOYSA-N 384.317 3.968 0 40 GHAB Cc1cccc(-n2c(SCC(=O)N3CCCCC3)nc3ccsc3c2=O)c1 57487462 KLDFTNRBOJNKQV-UHFFFAOYSA-N 399.541 3.860 0 40 GHAB CSc1nc2ccsc2c(=O)n1CC(=O)Nc1ccc(C)cc1Cl 57504994 UONYNVQUXKCQNC-UHFFFAOYSA-N 379.894 3.780 0 40 GHAB CC[C@H](NC(=O)NCCc1cnn(-c2ccccc2)c1)c1ccc(OC)cc1 71869513 WPOTTWCGIHLLKQ-NRFANRHFSA-N 378.476 3.874 0 40 GHAB COc1ccc(Br)c(-c2nnc(CCC(=O)OC3CCC3)o2)c1 72310759 HPRMIHIXJLMQEL-UHFFFAOYSA-N 381.226 3.536 0 40 GHAB OCc1ccc(-c2cncc([C@@H]3CCCN(CCOc4ccccc4)C3)n2)cc1 72359620 OYMPJZVIHICOCG-OAQYLSRUSA-N 389.499 3.894 0 40 GHAB Cc1cc(Br)c2c(c1)[C@]1(CC(O)=Nc3c1cnn3C(C)C)C(=O)N2 79492655 QSNBZOGDNWEBPQ-KRWDZBQOSA-N 389.253 3.765 0 40 GHAB Cc1cc(OCC(=O)NC2CCN(c3cccc(F)c3)CC2)ccc1Cl 89587679 LAPXKCDARGEHKX-UHFFFAOYSA-N 376.859 3.952 0 40 GHAB CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Br)c[nH]c1=O 94056685 WCSHZZXSRSBIFC-CQSZACIVSA-N 399.672 3.833 0 40 GHAB CC(C)Cn1ccc2c(NC(=O)[C@@H](C)n3nnc4ccccc4c3=O)cccc21 95473590 JMUPRUHWEDIRCE-OAHLLOKOSA-N 389.459 3.602 0 40 GHAB Cn1cc(-c2cnc(-c3cccnc3)nc2)cc1C(=O)NCCc1ccccc1 96147642 YTCFVLHGYAVAPF-UHFFFAOYSA-N 383.455 3.517 0 40 GHAB CCN1CCN(C(=O)Cc2ccc(N[C@@H](C)CSCC(C)C)cc2)CC1 97046006 OWQKAPHLVYLHNG-SFHVURJKSA-N 377.598 3.583 0 40 GHAB Cc1nc(C2=C(O)CN(C3CCN(Cc4ccccc4)CC3)C2=N)sc1C 102717216 BBNMRVKLJIMIHT-UHFFFAOYSA-N 382.533 3.987 0 40 GHAB CSc1ccc([C@@H]2[C@H]3C(=O)N(CC(C)C)C(=O)[C@@H]3ON2c2ccccc2)cc1 103187965 LCXVJDNUTWFYDK-VAMGGRTRSA-N 396.512 3.911 0 40 GHAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)Nc1c(F)cccc1F 206845211 XTBRPZJEBRCPIP-ZDUSSCGKSA-N 386.358 3.645 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@H]1CCCN1c1ccccc1 207988845 WOLUUQIHLYDAJA-LJQANCHMSA-N 378.451 3.625 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220452052 YUMSUDRFCUWAKR-ZDUSSCGKSA-N 396.459 3.629 0 40 GHAB COc1ccc(C(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1OC 222934416 ORGLOBCDLOECMJ-UHFFFAOYSA-N 385.851 3.747 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 223020464 WMSHYHNXLVTMJD-PMACEKPBSA-N 396.491 3.630 0 40 GHAB CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCC(C)C 223192435 MGZLNPXRHRYUCI-JOCHJYFZSA-N 384.495 3.948 0 40 GHAB Cc1ccccc1CS(=O)(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 223624898 VWCDUSBNLPHPNE-UHFFFAOYSA-N 399.516 3.962 0 40 GHAB CN(c1ccc(C(=O)NCC2CCCCC2)cc1)S(=O)(=O)c1ccccc1 223746884 DLWSFIDYMSGKHJ-UHFFFAOYSA-N 386.517 3.822 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1 223778622 GBILAOBFDCPJIX-INIZCTEOSA-N 388.895 3.662 0 40 GHAB CCc1cc(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)ccc1OC 224185534 MZVHLPMEHBOFFX-UHFFFAOYSA-N 383.897 3.577 0 40 GHAB CCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224318236 LZRCIHFQAMDXAQ-UHFFFAOYSA-N 380.897 3.613 0 40 GHAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1C 224561082 HMRIEVUCJQEOGB-PMACEKPBSA-N 378.501 3.914 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 225002566 QVTSBWPHHYBJFB-QZTJIDSGSA-N 382.504 3.570 0 40 GHAB O=C(CCc1cccc(Cl)c1)NC1CCN(c2ncnc3c2CCCC3)CC1 238923725 UKPNZHXOEDNOGA-UHFFFAOYSA-N 398.938 3.727 0 40 GHAB COc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]3C=C[C@H]2C32CC2)N2CCCC2)cc1OC 248138602 PLUXIVOCQBOAPH-UAFMIMERSA-N 396.531 3.559 0 40 GHAB O=C(c1cnccn1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257206412 BDGZDNNKJCCMPF-HNNXBMFYSA-N 382.851 3.729 0 40 GHAB Cc1cc(C(=O)N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)no1 257235850 GZURHHQXNHVCBC-UHFFFAOYSA-N 383.423 3.895 0 40 GHAB CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@@H](c1ccc(F)cc1Cl)N2 306145419 DZBMIVJKCLSCEN-INIZCTEOSA-N 384.879 3.910 0 40 GHAB COc1ccccc1C1(C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)o2)CC1 390828575 BFPQBZCFCFLJPL-MRXNPFEDSA-N 383.469 3.898 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(CC)cc2)ccc1OC 408585804 JLSWLSQDTSEMCC-UHFFFAOYSA-N 378.450 3.627 0 40 GHAB COC(=O)COc1ccccc1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O 409058944 ZXEHFJJEOUJBRX-WQRHYEAKSA-N 397.452 3.783 0 40 GHAB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 409143890 OGSPYNZBMAJGOO-CPNJWEJPSA-N 399.468 3.957 0 40 GHAB Cc1cc(O)c(-c2c(-c3ccc(C(=O)O)cc3)oc3cc(C)oc(=O)c23)c(=O)o1 524729949 PBSYBLCTOXRSCX-UHFFFAOYSA-N 394.335 3.694 0 40 GHAB biogenic CNS(=O)(=O)c1cccc(NC(=O)N2CCC[C@H]2c2c(C)cccc2C)c1 585100166 DCVWQOLOIQYRLL-SFHVURJKSA-N 387.505 3.581 0 40 GHAB Cn1cccc(C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)c1=O 585113664 HPBKRDNWAJQHQQ-IBGZPJMESA-N 394.393 3.521 0 40 GHAB COc1ccccc1CCN[C@H]1CCCN(C(C)=O)[C@H]1Cc1ccc(C)cc1 585286731 UKXPRZQEXMNILL-GOTSBHOMSA-N 380.532 3.758 0 40 GHAB Cc1ccsc1CCC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 585304614 BYOWQPDOKGIDEP-CQSZACIVSA-N 383.439 3.798 0 40 GHAB COCc1ccc(NCc2cc(=O)n3cc(C)ccc3n2)cc1C(F)(F)F 656663749 AVXQMCMRPLWKBQ-UHFFFAOYSA-N 377.366 3.780 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)c2)cc1 1073668266 XVSVGHSWVYDLCJ-XGHQBKJUSA-N 398.528 3.739 0 40 GHAB COc1ccc(-c2[nH]c(-c3ccncc3)nc2-c2oc(C)cc(=O)c2O)cc1 1547139643 WSEZVFBACJWUBX-UHFFFAOYSA-N 375.384 3.782 0 40 GHAB biogenic CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2cccnc2)n1C 905242 ARZVSPQCDWRZSC-UHFFFAOYSA-N 381.505 3.733 0 40 GHAB O=C(CSc1nnc(CNc2ccccc2)o1)N1CCCc2ccccc21 905471 TWWZFSNOYJCUTN-UHFFFAOYSA-N 380.473 3.753 0 40 GHAB CN(C)C(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 972401 DTYMLINFYGHOEZ-UHFFFAOYSA-N 394.496 3.784 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(C)c3C)C2=O)cc1 1008254 HEHDBERODSXMTE-YVLHZVERSA-N 383.473 3.625 0 40 GHAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CCN1C(=O)c2ccccc2C1=O 1250078 YTEQINXJLVDOPR-UHFFFAOYSA-N 396.830 3.837 0 40 GHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 1935082 YZUYYKKANSXEIH-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB CN(C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C1CCCCC1 3246866 LNNMAGOCEPEREY-NRFANRHFSA-N 390.483 3.685 0 40 GHAB CC[C@@H](C)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 3313881 XLTNDJREKVTSSI-IQMFZBJNSA-N 391.471 3.532 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3nc4ccc(F)cc4s3)ccc12 3315053 DFWVGTATMOERAY-UHFFFAOYSA-N 384.388 3.868 0 40 GHAB Cn1c(SCCOc2ccc(Br)cc2)nnc1-c1cccnc1 3387388 CUVJPKDSKMAJPA-UHFFFAOYSA-N 391.294 3.811 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2)cc1 3516973 ZUAPMWKLMUGWEV-UHFFFAOYSA-N 386.517 3.964 0 40 GHAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1c(F)cccc1F 4033149 AYRXIDNIFRECGJ-UHFFFAOYSA-N 380.354 3.935 0 40 GHAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccc(OC)cc3)C2)cc1 4976676 VMLBNIRLCZVXIJ-HXUWFJFHSA-N 396.443 3.636 0 40 GHAB CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccccn3)ccc12 5306361 SHJAECNTWYBMJT-MRXNPFEDSA-N 394.471 3.923 0 40 GHAB Cc1cc(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(C)n1C1CC1 5798280 ZAMGTUJZXCYTGX-UHFFFAOYSA-N 380.469 3.985 0 40 GHAB Cc1ccc(NC(=S)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 5939404 NDGMFISZLKKDPH-UHFFFAOYSA-N 383.926 3.708 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 6324803 PREUAWKRJGAEAM-GOSISDBHSA-N 388.533 3.804 0 40 GHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 6386302 HCJPRCJRGPLJNX-UHFFFAOYSA-N 391.880 3.824 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 6480418 YQZWJJOLHSMTMY-CXUHLZMHSA-N 386.360 3.653 0 40 GHAB CCCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1C)S2 6812162 ZYTIRMMVWMYNGX-MOPGFXCFSA-N 393.516 3.937 0 40 GHAB CCOc1ccc(C(=O)Nc2nn3c(-c4cccc(OC)c4)nnc3s2)cc1 6818154 RKVAYOQVAXBUJW-UHFFFAOYSA-N 395.444 3.512 0 40 GHAB Cc1ccccc1-c1noc(Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)n1 7381641 KUKQRCGDXFPYOF-LBPRGKRZSA-N 392.484 3.990 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2C)cc1 7418045 KSNVOOYYMBRPBV-UHFFFAOYSA-N 398.278 3.735 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(F)c1 7552294 FMZYFYVJAIWTSV-GOSISDBHSA-N 385.464 3.608 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ncnc2ccc(Br)cc12 7779900 OSQQFQFTYFSXMG-GFCCVEGCSA-N 398.260 3.749 0 40 GHAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1n[nH]c(=O)c2ccccc12 7898904 SRYLXIBTMBKITL-UHFFFAOYSA-N 379.803 3.767 0 40 GHAB COc1ccc(C)cc1NC(=O)CCc1nc(-c2ccc(OC)c(OC)c2)no1 7950629 NVDHJVFHKPLZAA-UHFFFAOYSA-N 397.431 3.642 0 40 GHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1OCc1cccc2ccccc12 8091583 MVZJZRSZMSJICP-XDHOZWIPSA-N 388.423 3.950 0 40 GHAB Cc1ccc(C(=O)N(C)Cc2cccs2)cc1S(=O)(=O)N1CCCCC1 8312403 SLARVQVTWNYGOZ-UHFFFAOYSA-N 392.546 3.503 0 40 GHAB CC[C@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3ccc(OC)cc3)cc2C1 8312992 IBMGJNKFJDCQOM-AWEZNQCLSA-N 386.517 3.982 0 40 GHAB CC(=O)Nc1ccccc1OCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 8705028 AMMJODSXPJNPEJ-QGZVFWFLSA-N 393.399 3.588 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3cccc4c3O[C@@H](C)[C@@H]4C)cc2)CC1 8721331 DFEDGZZIOADYOC-IRXDYDNUSA-N 379.504 3.965 0 40 GHAB Cc1nn(CC(C)C)c2sc(C(=O)N(C)C[C@H]3COc4ccccc4O3)cc12 8745784 FZWQMMDUZUYVSF-HNNXBMFYSA-N 399.516 3.974 0 40 GHAB c1ccc(-c2csc3ncnc(N4CCN(C[C@H]5CCCO5)CC4)c23)cc1 9114466 BKPZLTCEVZUCQB-QGZVFWFLSA-N 380.517 3.659 0 40 GHAB Cc1ccc(CNC(=O)CCC(=O)Nc2ccccc2Br)cc1 9235237 MZPUILZRMIKRRX-UHFFFAOYSA-N 375.266 3.793 0 40 GHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[C@H]1C=CCC1 9448710 ROYXNVUONUNIMA-INIZCTEOSA-N 392.521 3.555 0 40 GHAB O=C1c2ccccc2CC[C@H]1[C@@]1(O)C(=O)N(Cc2cccs2)c2ccccc21 9926032 OGDSGZXUUYNANL-AUSIDOKSSA-N 389.476 3.928 0 40 GHAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N4CCCCC4)cc3C[C@@H]2C)cc1 10327036 IQTHTDSDNBQYDG-KRWDZBQOSA-N 398.528 3.761 0 40 GHAB COc1ccc(-c2nc3c(C(=O)O)cc(-c4cccc(OC)c4O)nc3[nH]2)cc1 11694752 XFIMLXOTNIZUCD-UHFFFAOYSA-N 391.383 3.713 0 40 GHAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Cl 11853314 ULXMUCMIFLBLKX-UHFFFAOYSA-N 392.330 3.936 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)Nc3cccc(/C=C/c4ccccn4)c3)cnc12 12108888 GTCLKLOZQYMOFL-VAWYXSNFSA-N 396.450 3.909 0 40 GHAB COc1cccc(C2(NC(=O)CCn3c(=O)oc4ccccc43)CCCC2)c1 12143085 JEWHPFKJMNQANO-UHFFFAOYSA-N 380.444 3.579 0 40 GHAB COc1ccc2c(c1)C(=O)N[C@H]2CC(=O)NC1(c2ccc(F)cc2)CCCC1 12155425 OUPIBMSVIUNVIV-IBGZPJMESA-N 382.435 3.595 0 40 GHAB Cc1sc2nc(C3CC3)n(C3CCN(C(=O)C4CCC4)CC3)c(=O)c2c1C 12185434 DZYXPYFPRGULRE-UHFFFAOYSA-N 385.533 3.916 0 40 GHAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 12293724 WAINOKZUJMAMQA-WOJBJXKFSA-N 389.442 3.657 0 40 GHAB Cc1cccc(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 12732639 XQWZOIOOAQPSPK-UHFFFAOYSA-N 396.878 3.656 0 40 GHAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc4[nH]ccc4c3)cc2O1 12892087 BXOZCZGYZFAZMV-UHFFFAOYSA-N 380.400 3.635 0 40 GHAB biogenic CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2Cl)cc1 12896461 AQKNMNKNHHNLGK-CQSZACIVSA-N 394.924 3.862 0 40 GHAB COc1cc2c(c3oc(=O)c(CC(=O)NCC(C)C)c(C)c13)CCC(C)(C)O2 12902493 DYMPYQNASJLASF-UHFFFAOYSA-N 387.476 3.528 0 40 GHAB biogenic CC[C@H]1c2ccsc2CCN1CC(=O)N[C@@H](C)c1cc(OC)ccc1OC 12976819 XLJRWYJSYDZHKH-KSSFIOAISA-N 388.533 3.952 0 40 GHAB COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)cc1OC 13122475 FGLWCBSGEYDKHZ-HXUWFJFHSA-N 395.484 3.973 0 40 GHAB COc1ccc2c(c1)CCc1cc(C(=O)O[C@@H](C(N)=O)c3ccccc3)sc1-2 14048199 FSHODJOYENSGKJ-LJQANCHMSA-N 393.464 3.906 0 40 GHAB C[C@@H]1CCc2c(C(=O)O[C@H](C(=O)N3CCOCC3)c3ccccc3)csc2C1 15514018 JDMWMGJEPZEERD-QRWLVFNGSA-N 399.512 3.630 0 40 GHAB COc1ccc(Cc2nnc(NC(=O)COc3ccccc3Cl)s2)cc1 16956752 WJEDYAYKKGXAGM-UHFFFAOYSA-N 389.864 3.808 0 40 GHAB Nc1c(Cl)cc(Cl)cc1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 17482906 YJOVETAJSQRBMA-INIZCTEOSA-N 379.243 3.752 0 40 GHAB COc1ccc(CN2CCC(c3nc4ccc(F)cc4cc3N)CC2)cc1CO 19559286 SXXNNYSVXLATPK-UHFFFAOYSA-N 395.478 3.837 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 20107845 QZXZRSPOWWHSIX-CYBMUJFWSA-N 380.897 3.819 0 40 GHAB Cc1noc(C(C)C)c1C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21637575 IZTBPZYOTIHFHB-UHFFFAOYSA-N 396.413 3.873 0 40 GHAB CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1CCCC1 21874149 NKLNPUACEXNUOK-SFHVURJKSA-N 376.566 3.894 0 40 GHAB Cc1cc(NC(=O)CCc2nc(-c3ccccc3)no2)ccc1N1CCCC1=O 22284881 FGBCNPYYAMYJNK-UHFFFAOYSA-N 390.443 3.743 0 40 GHAB S=c1sc2ccc(Cl)cc2n1CN1CCN(c2ncccn2)CC1 25157418 KPPLAKLQAWBYOE-UHFFFAOYSA-N 377.926 3.655 0 40 GHAB Cc1ccc(CSc2ncc3c(=O)n(Cc4ccc(F)cc4)cnc3n2)cc1 27580343 MORYZQMDBLBXBY-UHFFFAOYSA-N 392.459 3.975 0 40 GHAB CCN(CC)c1ccc(NC(=O)Cn2nc(C)c(Br)c2C)cc1 28231286 PSRMZHNXICOGDJ-UHFFFAOYSA-N 379.302 3.747 0 40 GHAB COc1ncccc1CNC(=O)C1(c2ccc(Br)cc2)CCCC1 30304505 AINIKQQTZCJKLE-UHFFFAOYSA-N 389.293 3.981 0 40 GHAB CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2c(Cl)cccc21 32073706 BKSTXVLNYOTLFF-FQEVSTJZSA-N 378.819 3.780 0 40 GHAB COc1cccc(C(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)c1OC 32609671 JPPZYNWAHPUCQA-UHFFFAOYSA-N 389.814 3.993 0 40 GHAB Cc1ccc(S(=O)(=O)C(NC(=O)NCc2ccccc2)=C(Cl)Cl)cc1 32617741 PEYWYVONXVCKOW-UHFFFAOYSA-N 399.299 3.872 0 40 GHAB C[C@H]1CCc2c(sc3nc(O)n4nc(COc5ccccc5F)nc4c23)C1 32682175 KUMAVBBQPPNIBJ-JTQLQIEISA-N 384.436 3.888 0 40 GHAB CS(=O)(=O)c1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 32767974 MCEJMOFXUAMAJT-UHFFFAOYSA-N 389.404 3.654 0 40 GHAB COc1ccc2nc(SCCCCN3C(=O)c4ccccc4C3=O)[nH]c2c1 32910999 VEQPYKPXYYQWKT-UHFFFAOYSA-N 381.457 3.740 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)CCOc1ccccc1C 36877744 XQPURVSOJAECFZ-NRFANRHFSA-N 378.472 3.796 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccccc1O 40019987 OQVZRCFSYUQMLS-OAHLLOKOSA-N 388.489 3.516 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)NCc2ccnc(Oc3ccccc3)c2)c1C 40110670 XQLPVFLPOUAVCE-UHFFFAOYSA-N 379.416 3.535 0 40 GHAB C[C@@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)c1cccc2ccccc12 40123097 MCUNIKFEEBACEW-CQSZACIVSA-N 396.878 3.611 0 40 GHAB CC(C)c1noc(CCCC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)n1 40132160 VTKKRCDRRAHCDI-UHFFFAOYSA-N 379.464 3.829 0 40 GHAB CSc1ccc([C@@H](CNC(=O)c2cc[nH]n2)N2CCc3sccc3C2)cc1 40142348 NWVPQHBEQWTZMX-GOSISDBHSA-N 398.557 3.723 0 40 GHAB O=C(CCN1CCC[C@@H]1c1ccsc1)Nc1ccc(N2CCOCC2)cc1 48250733 YKUWNRRMRACEMS-HXUWFJFHSA-N 385.533 3.750 0 40 GHAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1nc(C(C)(C)C)cs1 49550959 NJARYZWDFOWVSR-UHFFFAOYSA-N 397.500 3.971 0 40 GHAB Cc1c2c(=O)n(-c3ccc(Cl)cc3)[nH]c2cc(=O)n1Cc1ccc(F)cc1 51152489 XYIKUNMZVKUVPR-UHFFFAOYSA-N 383.810 3.630 0 40 GHAB COc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1Cl 57427476 LZXADEVXIOTFMK-UHFFFAOYSA-N 397.862 3.828 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2O)CC1 58159109 YEAYVWVNZDUQET-CYBMUJFWSA-N 394.302 3.848 0 40 GHAB Cc1c(C)c2ccc(OCC(=O)Nc3nnc(C4CCC4)s3)cc2oc1=O 61720744 MVDMKNGSHNDDDC-UHFFFAOYSA-N 385.445 3.546 0 40 GHAB biogenic O=C1CCSc2ccc(C(=O)NCCSCc3ccccc3F)cc2N1 65608620 UGOCZNAJLPKNDB-UHFFFAOYSA-N 390.505 3.923 0 40 GHAB CCOC(=O)c1c(NC(=O)CNCc2cccs2)sc2c1CCCC2 68706769 IZTKVIFLNLCQKB-UHFFFAOYSA-N 378.519 3.593 0 40 GHAB C[C@H]1Sc2ccc(C(=O)Nc3cnn(Cc4ccccc4)c3)cc2NC1=O 71819995 DNFABHKSFQWHAC-CYBMUJFWSA-N 378.457 3.616 0 40 GHAB FC(F)(F)c1ccnc(N2CCC3(CC2)C[C@@H]3c2nnc3n2CCCCC3)n1 71890517 JYBXJLSXRPEKGI-CYBMUJFWSA-N 392.429 3.587 0 40 GHAB O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 72378821 ZFHSPNNVBFXXPA-SFHVURJKSA-N 378.451 3.745 0 40 GHAB Cc1cc(-c2snnc2[C@@H]2CCCN(Cc3cnc(C(C)C)nc3)C2)on1 72396710 DUBIZWWTTNBVLK-OAHLLOKOSA-N 384.509 3.795 0 40 GHAB COc1cccc(CS(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c1 95416610 AKASDJRISNXGCV-SFHVURJKSA-N 386.473 3.893 0 40 GHAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@H](c2cccc3nccnc23)S1 95473144 XCMSHEXMGMBECB-KRWDZBQOSA-N 381.461 3.770 0 40 GHAB Cc1cccc(S(=O)(=O)N2CC[C@@]3(CCCN(Cc4ccc(C)o4)C3)C2)c1 96215912 IOPCYLVNCWBWOL-OAQYLSRUSA-N 388.533 3.573 0 40 GHAB COc1ccc(/C=C2/N=C(c3ccccc3OC)OC2=O)cc1OC(F)F 96635165 GERBSKLYXWASKJ-UKTHLTGXSA-N 375.327 3.650 0 40 GHAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 100054265 XOLVWCSAOKQGPM-QRVDHSFSSA-N 386.234 3.953 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)N1C[C@@H]2CCC[C@@H](C1)C2N1CCCCC1 100769062 XLUMFTPZQXWGSY-IRXDYDNUSA-N 396.984 3.756 0 40 GHAB CC(C)[C@H](NCc1ccccc1F)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769444 VKBOJYGVADTPBM-QFIPXVFZSA-N 398.482 3.955 0 40 GHAB O=C1C[C@H](c2cc(O)n3ncc(-c4ccccc4)c3n2)CN1Cc1ccccc1 100775585 BVSFNLNFXJRAID-SFHVURJKSA-N 384.439 3.618 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)c(C(=O)O)c1 217559754 ZEQKPSKBTRNEDO-ZIAGYGMSSA-N 376.478 3.635 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1Cl 219500656 KDOXAXADEAMQCQ-LBPRGKRZSA-N 377.824 3.931 0 40 GHAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222918589 BYQLHJABCXHCTA-CQSZACIVSA-N 393.314 3.742 0 40 GHAB O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1C(=O)NC[C@H]1CCCO1 224617523 NGEHZWJTIDCPTL-OAHLLOKOSA-N 390.842 3.569 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 224654767 NYJMYIRWVWUMLY-LJQANCHMSA-N 382.504 3.626 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1 225453201 XRKSHSKNODVUBP-INIZCTEOSA-N 388.895 3.661 0 40 GHAB COc1ccc(CCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225557309 ZUMCSKWFMNSLLF-UHFFFAOYSA-N 383.517 3.741 0 40 GHAB O=C(CCNC(=O)c1ccc2sc(Cl)nc2c1)Nc1ccc(F)cc1 225979455 FRWBAFKXRQCEQR-UHFFFAOYSA-N 377.828 3.847 0 40 GHAB COCc1nnc2sc(-c3cccc4c(Br)cccc34)nn12 226300231 JOHQXVNDYOOZME-UHFFFAOYSA-N 375.251 3.915 0 40 GHAB Cc1cnn(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)c1 257246530 IUNSWPQPCNZWNX-GOSISDBHSA-N 384.867 3.787 0 40 GHAB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1)C(=O)c1ccccc1 408658110 UVRUZKKIERGUDG-UYAOXDASSA-N 379.456 3.861 0 40 GHAB CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1c1nc(C(=O)O)co1 564658917 MMVCQVRIYIIBPN-MRXNPFEDSA-N 377.872 3.763 0 40 GHAB Cc1cc(NC(=O)C[C@H](n2cccn2)C(F)(F)F)n(-c2ccccc2C)n1 585102505 UZCVXZVOLFPIQC-HNNXBMFYSA-N 377.370 3.818 0 40 GHAB O=C(O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1ccccc1OC(F)F 621588471 YRHGHWDYIWDWDO-HOTGVXAUSA-N 375.371 3.647 0 40 GHAB Cc1ccc(C)c(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615119471 GVBAXPRSGRRBCU-QHCPKHFHSA-N 382.479 3.841 0 40 GHAB O=C1N(c2ccccc2)CCCC[C@@]12CN(Cc1cc(F)cc(F)c1)CCO2 2037984148 RVCPUZDGPUSHAX-JOCHJYFZSA-N 386.442 3.753 0 40 GHAB CCCNC(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 2627369 UIQAMHFWRDTMFZ-UHFFFAOYSA-N 378.428 3.593 0 40 GHAB CN(C)C(=O)c1cccc(NC(=O)CNc2ccccc2N2CCCCCC2)c1 29934719 VCHURNCAWURARO-UHFFFAOYSA-N 394.519 3.819 0 40 GHAB CS[C@H]1CC[C@@H](N(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 78947781 FSDANPVQGVNPJO-OLZOCXBDSA-N 382.378 3.983 0 40 GHAB CCCn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccc(Cl)cc1 3445119 QZAKEZKBFHOGTB-UHFFFAOYSA-N 392.834 3.779 0 40 GHAB CN1CCN(c2ccccc2NC(=O)COc2ccc3ccccc3c2)CC1 33593640 VLXHQINTQTZUIC-UHFFFAOYSA-N 375.472 3.609 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)N[C@H](C)c3ccc(F)cc3)c(C)c2c1 4524888 WCGVADVOGUQKFF-CYBMUJFWSA-N 385.391 3.923 0 40 GHAB CCOC(=O)[C@H](C)n1cnc2sc(C)c(-c3ccc(OCC)cc3)c2c1=O 646381 GSYJGNQQJFDWKR-LBPRGKRZSA-N 386.473 3.956 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2cccc(F)c2)c1 6681128 OEMMTMVYCRXCMG-UHFFFAOYSA-N 390.461 3.965 0 40 GHAB Cn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccco1 779325 XJLVIZIJFSHTPR-UHFFFAOYSA-N 393.266 3.568 0 40 GHAB C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 10358495 PXHNAHFLXKEGPS-INIZCTEOSA-N 380.469 3.978 0 40 GHAB COc1ccc(CCNC(=O)CSCc2coc(-c3ccccc3)n2)cc1 46835497 WLSKWGMDKWCBIN-UHFFFAOYSA-N 382.485 3.942 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)c1C 54010315 BJHKMUNTJCCBFK-UHFFFAOYSA-N 384.476 3.719 0 40 GHAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)c1ccc2c(c1)OCCCO2 8099212 BBTUUWQTNHUZAJ-UHFFFAOYSA-N 382.746 3.819 0 40 GHAB CCOC(=O)Nc1cccc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1 8302708 LGGOWWMXXXFCNZ-UHFFFAOYSA-N 383.448 3.583 0 40 GHAB COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2cccc(F)c2)C1=O 937857 CEGGKGACBPZFSJ-UHFFFAOYSA-N 381.190 3.923 0 40 GHAB CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 1249447 JFJJDQHDOZYOSW-SFHVURJKSA-N 383.448 3.989 0 40 GHAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1OCC 51529140 UMEREFKSOWEMJK-UHFFFAOYSA-N 382.460 3.972 0 40 GHAB CN(Cc1ccccc1)c1cnn(-c2ccc(F)cc2)c(=O)c1Br 1392452 UQVHCILMDKPHPE-UHFFFAOYSA-N 388.240 3.771 0 40 GHAB COc1cccc(C(=O)Nc2cc3c(cc2C(=O)c2ccccc2)OCCO3)c1 1439951 IQVYUAIXGRQXLP-UHFFFAOYSA-N 389.407 3.950 0 40 GHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1c(C)nc2sc(C)cn12 25472032 DSVLMUKUGWZSBG-SOFGYWHQSA-N 383.473 3.803 0 40 GHAB Cc1ccc(C)c(C(=O)CCC(=O)N[C@H](c2ccccc2)c2nccn2C)c1 12525455 BYXDSCBPUAFCNY-JOCHJYFZSA-N 375.472 3.906 0 40 GHAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)NCc1ccc(Cl)cc1 57697286 CDXSBKOXRNEDLF-KRWDZBQOSA-N 378.925 3.699 0 40 GHAB CCc1cc(=O)n(CC(=O)NCc2ccccc2Cl)c(-c2cccc(F)c2)n1 57508080 KOCMLHSZGDUTLN-UHFFFAOYSA-N 399.853 3.582 0 40 GHAB COc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 27664282 AXPSFIQXZGYPAP-HXUWFJFHSA-N 388.895 3.681 0 40 GHAB CCCOc1ccc(C(=O)CCC(=O)NC[C@H](c2cccs2)N(C)C)cc1 27674824 XQNWFQDJQVYVCY-GOSISDBHSA-N 388.533 3.919 0 40 GHAB COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OC(=O)c1cccs1 3251236 SJFVHVMPWNJKFY-SFHVURJKSA-N 380.425 3.830 0 40 GHAB CCc1ccc(OCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 27747940 OKNXTWJGXMHCMZ-QFIPXVFZSA-N 382.504 3.590 0 40 GHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1Cc2ccccc2O1 58412526 VBDPSNRHAFENFE-INIZCTEOSA-N 393.270 3.784 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)O)c2)c(F)c1 58488436 JTLRRPGSHKTMQZ-UHFFFAOYSA-N 378.208 3.940 0 40 GHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCNc1ncccc1C(F)(F)F 59352689 AUUMECOBPSYCQK-LLVKDONJSA-N 387.789 3.749 0 40 GHAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)CCc1ccccc1 28198530 FYVMNBACBIBIFV-YLJYHZDGSA-N 384.545 3.676 0 40 GHAB CCc1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCCC2)cc1 28293048 CKXSALABCQSCJR-FQEVSTJZSA-N 390.483 3.922 0 40 GHAB Cc1cc(C)cc(-n2c(SCC(=O)NCC(C)C)nc3ccccc3c2=O)c1 3317021 FZASQXHFHMOZBL-UHFFFAOYSA-N 395.528 3.867 0 40 GHAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 113956688 PJLACJXRQMFZTN-UHFFFAOYSA-N 386.517 3.922 0 40 GHAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(Br)cc1Cl 12787051 UINQTCGHYAXZOA-UHFFFAOYSA-N 395.684 3.790 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C)c1 12980731 OARZIKMENVGYFT-LJQANCHMSA-N 379.504 3.901 0 40 GHAB CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)NC3CCCC3)c2c1=O 48987162 YUKWNNHEZICXTM-UHFFFAOYSA-N 392.503 3.724 0 40 GHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1 13113233 ULTNJGPOVWVAJK-GASCZTMLSA-N 390.480 3.745 0 40 GHAB COc1cccc(NC(=O)NCc2cc(Br)c3c(c2)OCO3)c1 63607588 GSJRGGMTFCREPO-UHFFFAOYSA-N 379.210 3.508 0 40 GHAB COCCOc1ccc(S(=O)(=O)N2CCCc3cccc(Cl)c32)cc1 64374165 LOHUOBFZKXNKDH-UHFFFAOYSA-N 381.881 3.507 0 40 GHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1)c1ccccc1 13691881 XNYMHKJZBILICW-HKUYNNGSSA-N 389.499 3.826 0 40 GHAB Cc1nc2oc3c(=O)n(Cc4ccccc4)cnc3c2c2c1COC(C)(C)C2 13731775 GMNITNUCMXORFQ-UHFFFAOYSA-N 375.428 3.746 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 5111270 KLGNRQMWUKHNGQ-KIUWMYQTSA-N 395.933 3.631 0 40 GHAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2Cl)c1 5249792 IZYFGWATGRSAOK-UHFFFAOYSA-N 379.847 3.657 0 40 GHAB CSc1nc2nc(C)c(CCC(=O)Nc3cccc(Cl)c3)c(C)n2n1 5278353 GBIPOXSDBHSELK-UHFFFAOYSA-N 375.885 3.688 0 40 GHAB O=S(=O)(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(Cl)s1 6581585 PZNCQMDTMRHOAI-UHFFFAOYSA-N 394.909 3.746 0 40 GHAB CN1CCN([C@H](CNC(=O)Nc2ccc(Cl)cc2)c2ccc(F)cc2)CC1 22794459 RSZQMWTWSFVOAU-LJQANCHMSA-N 390.890 3.589 0 40 GHAB O=C(CN(Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1)Nc1ccccc1 6608319 ZZJSOHUOTPRPTP-FYWRMAATSA-N 396.468 3.721 0 40 GHAB CCOC(=O)c1c(NC(=O)CSc2ccccc2N)sc2c1CCC2 4708520 OAWVBUCGGOKVQS-UHFFFAOYSA-N 376.503 3.727 0 40 GHAB Cc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)cc1 6752751 XHLRKWBOEQUBRN-KSFYIVLOSA-N 389.455 3.815 0 40 GHAB Cc1nc(Cc2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3)o2)cs1 5833736 LPPUUSVUYKKXNG-SECBINFHSA-N 378.454 3.684 0 40 GHAB O=S(=O)(NCCOc1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1 22496111 VXNWONOLJNBQSN-UHFFFAOYSA-N 387.432 3.975 0 40 GHAB Cc1nn(Cc2ccc(C(=O)NCc3cccnc3)cc2)c(C)c1Br 27970220 HYPSDPJQWCJVNK-UHFFFAOYSA-N 399.292 3.636 0 40 GHAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccc(-c2ccccc2)cc1 15398990 ZKWWAYQVXYSBEN-UHFFFAOYSA-N 377.425 3.871 0 40 GHAB Cc1cccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc3c2cnn3C)c1 9273218 BYJKAGWHDJCLTR-UHFFFAOYSA-N 399.502 3.742 0 40 GHAB CC(C)=C[C@H]1[C@H](C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 27664196 MEKXVAVOBCCMQS-HYVNUMGLSA-N 381.563 3.502 0 40 GHAB COc1ccc(-c2noc(-c3nnn(-c4cc(F)ccc4F)c3C)n2)cc1OC 7615919 QTWLLGJZDGMZGT-UHFFFAOYSA-N 399.357 3.588 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)NCc2ccc(Cl)cc2)c(OC)c1 7719558 AVJFCKGHYBUTKY-LJQANCHMSA-N 388.895 3.811 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC[C@H]1c1cccn1C 7854761 YDKTVWIUROOGGG-FQEVSTJZSA-N 377.492 3.603 0 40 GHAB Cc1nn(C)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 7885219 LXPOUGVBKDWDFY-OAQYLSRUSA-N 390.443 3.532 0 40 GHAB CC(=O)c1cccc(OCC(=O)Nc2ccnn2Cc2ccccc2Cl)c1 7989253 SGERBWAOEVURCA-UHFFFAOYSA-N 383.835 3.805 0 40 GHAB CCOc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)N1CCCCC1 7980879 PNJJBMKIBHWULH-UHFFFAOYSA-N 394.518 3.574 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccccc1C(=O)NCc1ccco1 7976095 YAVCHDUZFJALGH-MRXNPFEDSA-N 389.455 3.599 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CNc1ncnc2ccsc12 9336827 YDIYFRBJJWXWNB-UHFFFAOYSA-N 377.267 3.813 0 40 GHAB CC(=O)NCCc1ccc(C(=O)CSc2nnc(-c3ccccc3F)o2)cc1 8573071 QZPYRXWATQLXPJ-UHFFFAOYSA-N 399.447 3.529 0 40 GHAB CC(C)(C)c1nnc(CN2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)o1 69813479 ZXIAFUFCWPYCSO-GOSISDBHSA-N 388.556 3.760 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 409000696 FMQDWPXTUBZICI-QRWLVFNGSA-N 379.460 3.782 0 40 GHAB O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(Oc2ccccc2)cc1 9762684 AJSQMKXBBAIKDE-UHFFFAOYSA-N 378.428 3.737 0 40 GHAB Cn1ccnc1COc1ccc(CN(CCCO)[C@H]2CCc3ccccc32)cc1 95959700 UUHCTHKGHUTXGR-QHCPKHFHSA-N 391.515 3.871 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2O[C@H](C)CC)C1=O 409015224 YZCJUZIZHCSRMD-IGDPJRHMSA-N 377.462 3.852 0 40 GHAB Cc1noc(C)c1COc1ccc(CC(=O)OCc2nnsc2Cl)cc1 24075695 YWISEHMYOWGBIT-UHFFFAOYSA-N 393.852 3.661 0 40 GHAB Cc1occc1C(=O)N1CCO[C@@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306140759 VDGFEXSLNUBFNN-HXUWFJFHSA-N 388.427 3.511 0 40 GHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2OC)CC1 408681834 ZQMGLXUHXVSNGN-IBGZPJMESA-N 388.895 3.855 0 40 GHAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Br)cc2)N1 35183145 UUKPOUWUKZFGJZ-IAGOWNOFSA-N 385.261 3.707 0 40 GHAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(C)C)C1=O 408601280 JNYSJQYSHZWDPU-RQZCQDPDSA-N 391.489 3.957 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 32929642 IWBUFLDBKHFUMX-VXGBXAGGSA-N 378.321 3.698 0 40 GHAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1cccc(Nc3ncccn3)c1)CC2 524734082 UIYZYWUFJXFMBO-SFHVURJKSA-N 390.443 3.655 0 40 GHAB CC(C)C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 35870900 JSJBXROAMHVGOI-WOZUAGRISA-N 394.515 3.546 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccccc1OC 219503752 MRUMJXLFQXCZSM-WMLDXEAASA-N 385.460 3.890 0 40 GHAB Cc1nc([C@H]2CCCCN2C(=O)C(C)C)nc2c1CC(=O)N2CC1CCCCC1 72371823 GVMQJYPZYKXTJO-LJQANCHMSA-N 398.551 3.964 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(CN2CCCC2)cc1 78228766 QZJZEFPVFDNMRV-UHFFFAOYSA-N 377.532 3.808 0 40 GHAB N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 72227281 RNIIVAGDINZTNI-KGLIPLIRSA-N 396.082 3.627 0 40 GHAB COc1ccc(-c2cccc([C@@H]3CCCN(CC(=O)N4CCCCC4)C3)n2)cc1 72348701 NFWQMRVFRUQKND-HXUWFJFHSA-N 393.531 3.949 0 40 GHAB COc1cc(NC(=S)NCCSCc2ccccc2)cc(OC)c1OC 225219197 WZMLVKLECAHLIK-UHFFFAOYSA-N 392.546 3.932 0 40 GHAB O=C(NCc1ccccc1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220934569 QTYZTOKAWJMQQE-INIZCTEOSA-N 382.489 3.962 0 40 GHAB C[C@@H](C(=O)N1CCc2ccccc21)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105923 CHFHJYVJDQNYHY-LBPRGKRZSA-N 398.311 3.886 0 40 GHAB CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220131994 IGCULIQEBAWHTE-INIZCTEOSA-N 388.533 3.913 0 40 GHAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(CC(F)F)CC1 61602114 SUNKMYYMUFGZQF-UHFFFAOYSA-N 381.426 3.925 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 223014466 IGYAUCGOKDBDPV-FQEVSTJZSA-N 384.545 3.949 0 40 GHAB O=C(CN1CCC(c2nnc(-c3ccco3)s2)CC1)OCc1ccccc1 77198195 YCZVDZRGGPDHDE-UHFFFAOYSA-N 383.473 3.721 0 40 GHAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 139446242 MOLXYQPCHNVHMN-UHFFFAOYSA-N 389.546 3.979 0 40 GHAB CN(c1ccc2sc(C(=O)Nc3ccc(F)cc3)cc2c1)S(C)(=O)=O 46058033 SMCCIKYVBNWTKV-UHFFFAOYSA-N 378.450 3.689 0 40 GHAB Cc1c(Cl)cnc(NC(=S)NCc2ccc3c(c2)OCCO3)c1Cl 224048873 JLBBSLPLUPQBLB-UHFFFAOYSA-N 384.288 3.955 0 40 GHAB Cc1c(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)nn2c1OCCC2 577031763 UBOIGMKHJBEDPL-GOSISDBHSA-N 381.476 3.632 0 40 GHAB COc1ccc(Br)c(C(=O)NC[C@H](OC)c2ccc(C)s2)c1 96104741 LQIZLZABNDGWIH-AWEZNQCLSA-N 384.295 3.945 0 40 GHAB COc1cccc(Cl)c1CN1CCOC[C@H]1c1nc(-c2ccccc2)no1 585080231 NJZQGAXQJFKUMS-KRWDZBQOSA-N 385.851 3.972 0 40 GHAB Fc1cc(Br)c(CNCc2ccno2)c(N2CCCCC2)c1F 585138651 YHOYNHLLSZZGQJ-UHFFFAOYSA-N 386.240 3.995 0 40 GHAB O=C1CCCC[C@]2(CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2c2ccccc2)N1 257245445 IPOAIJCUZBPIJL-NZQKXSOJSA-N 396.918 3.938 0 40 GHAB Cc1ccc(C(=O)N2CCO[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)cn1 257271172 MXDMAINSUGKDRQ-LJQANCHMSA-N 397.862 3.836 0 40 GHAB COc1ccc(CCN2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)cc1 257299097 RORYBEJWOZSWQK-NRFANRHFSA-N 390.487 3.845 0 40 GHAB Cc1cc(C2(NC(=O)Nc3sc(C)nc3CC(C)C)CCOCC2)on1 626439187 ANXHOGUAXSILSM-UHFFFAOYSA-N 378.498 3.774 0 40 GHAB CN1CCN(C(=O)Cc2c[nH]c3cccc(Cl)c23)C[C@@H]1Cc1ccccc1 1157174887 FYOPBEKDKBDIRQ-SFHVURJKSA-N 381.907 3.749 0 40 GHAB CO[C@H]1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)C1 96381325 GTJWGJAEPJBWLM-NRFANRHFSA-N 380.488 3.599 0 40 GHAB CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCCN4)CC3)n2)s1 585262672 RATMJXRNDYMUEQ-SFHVURJKSA-N 399.564 3.692 0 40 GHAB Cn1c([C@H]2CCCN2C(=O)CCCc2nc(C(C)(C)C)no2)nc2ccccc21 68004458 WIFLCBQQPMEBTQ-QGZVFWFLSA-N 395.507 3.940 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1 56945518 PLELKXNURJWMQL-NRFANRHFSA-N 399.510 3.979 0 40 GHAB O=C1CC[C@@H](c2nc(CNC3CCC(F)(F)CC3)no2)N1Cc1ccccc1 1775963986 MQDLDVFGGVNIOU-INIZCTEOSA-N 390.434 3.601 0 40 GHAB biogenic,in-vitro CC(C)Oc1ccc(C(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1 77197696 BJYPKWFVVXYFDL-UHFFFAOYSA-N 383.370 3.895 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5930598 LDNKAUXTVNHARF-UHFFFAOYSA-N 394.393 3.685 0 40 GHAB COc1cc(NC(=S)NC(=O)/C=C/c2ccccc2)ccc1NC(=O)C(C)C 5944545 GDBCROYTOCHGON-FMIVXFBMSA-N 397.500 3.816 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNCc1ccccc1CN1CCOCC1 12567133 UOUICQSLNFBDSY-UHFFFAOYSA-N 390.531 3.611 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)c2cc(F)ccc2Br)c(C)c1 12816429 LBQVGOYTMHNOIU-UHFFFAOYSA-N 393.256 3.882 0 40 GHAB Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1-c1nccs1 14261531 HQRHWZLDPYONRV-UHFFFAOYSA-N 381.379 3.614 0 40 GHAB COc1c(F)c(F)c(S(=O)(=O)Nc2cccc3c2CCCC3)c(F)c1F 15589920 YIRZCPAECGCKDT-UHFFFAOYSA-N 389.370 3.931 0 40 GHAB Cc1cnn(CCC(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)CN3C)c1 19240001 DZMUJYSHVBJARX-XJUOHMSHSA-N 398.526 3.590 0 40 GHAB CCn1ncc(-c2cc(C(=O)N[C@@H](c3ccccc3)c3ccncc3)on2)c1C 19524063 XKKKWYRLIHKDAV-NRFANRHFSA-N 387.443 3.781 0 40 GHAB O=C(O)c1cn(C(=O)c2ccc(I)cc2)c2ccccc12 226366648 BDEHGXGJUVCEFK-UHFFFAOYSA-N 391.164 3.633 0 40 GHAB COc1cc2c(cc1OC)[C@@H]1[C@H](CO2)Oc2c(ccc3occc23)[C@@H]1OC(C)=O 15150798 DUWADQUXPNOAOS-VWPQPMDRSA-N 396.395 3.991 0 40 GHAB biogenic COc1cc2c(cc1CN1CC[C@@]3(CCc4ccccc4C(=O)N3)C1)CCC2 19550559 DBCIVQFSBWOMPZ-DEOSSOPVSA-N 376.500 3.505 0 40 GHAB CCN(CC)Cc1ccc(C(=O)N(C)c2nc3c(s2)[C@H]2CC[C@@H](C3)N2C)o1 19526447 LAXYESHBMBXEKM-XJKSGUPXSA-N 388.537 3.546 0 40 GHAB CC(=O)c1ccc(-c2ccc(C(=O)OCc3cc(=O)n4ccsc4n3)o2)cc1 5539980 WZANPHAGVJMIQU-UHFFFAOYSA-N 394.408 3.576 0 40 GHAB O=C(c1cc(F)cc(Cl)c1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 1888903796 FRTHBJZEURMXLT-UHFFFAOYSA-N 399.857 3.814 0 40 GHAB Cc1nc(C)c(-c2ccc(N3CCN(c4nc5ccccc5o4)CC3)nn2)s1 1888930519 ZCLFWUMJEKWOKX-UHFFFAOYSA-N 392.488 3.685 0 40 GHAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)C2CC(F)(F)C2)C1 1889110037 LQXYBQDZOZSJCS-LBPRGKRZSA-N 377.357 3.573 0 40 GHAB O=C(/C=C/c1ccc(Br)o1)NC1CCN(Cc2ccccc2)CC1 15564706 QYJWIOCRZAMGIU-VQHVLOKHSA-N 389.293 3.836 0 40 GHAB COc1ccc(-c2ccc(=O)n(CCCC(=O)N[C@@H](C)c3ccccc3)n2)cc1 11693314 JZDAHMNFUIWIAY-KRWDZBQOSA-N 391.471 3.577 0 40 GHAB Cc1ccc(COc2cn(CC(=O)Nc3ccc(F)cc3)c(C)cc2=O)cc1 12230616 CYAXDEFYNQDTOC-UHFFFAOYSA-N 380.419 3.822 0 40 GHAB O=C(Cc1ccccc1Br)N1CC[C@@H](n2cnc3ccccc32)C1 575615866 GQAYXBTVKKMKMJ-OAHLLOKOSA-N 384.277 3.815 0 40 GHAB Cc1nc(-c2ccc(CC(=O)N(C)CC(=O)Nc3ccc(F)cc3)cc2)cs1 40073627 BLGDHZMIQOJBFE-UHFFFAOYSA-N 397.475 3.897 0 40 GHAB CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)n1nc(-c2ccccc2)ccc1=O 20095402 HFXONVAODZSMJF-IBGZPJMESA-N 393.443 3.517 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2cc(C)nc3ccccc23)N2CCOCC2)cc1 40156869 XRWPEKBIBYEONA-HSZRJFAPSA-N 389.499 3.655 0 40 GHAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 101165683 SSTRELGFKVZOAD-PEBXRYMYSA-N 383.492 3.794 0 40 GHAB CC(C)[C@H](NC(=O)CCCNC(=O)c1ccsc1)c1nc2ccccc2[nH]1 32747535 FGVBXZUFPCDFQQ-SFHVURJKSA-N 384.505 3.648 0 40 GHAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2C)cc1Br 32753723 UDKRZBQGIKLMIV-UHFFFAOYSA-N 377.238 3.977 0 40 GHAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 32754493 DAVPGWIQVDRBAZ-OAHLLOKOSA-N 391.471 3.957 0 40 GHAB CC(C)c1cc(C(=O)NCc2ccc(Cn3cncn3)cc2)c2ccccc2n1 32868965 NLWVSRDQBDYTLN-UHFFFAOYSA-N 385.471 3.928 0 40 GHAB Cc1ccccc1OCCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 32906286 YIAALZCILYPMSH-UHFFFAOYSA-N 379.460 3.591 0 40 GHAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)Nc3cc(C)on3)n12 929758 DBTCFOCNRVVZEI-UHFFFAOYSA-N 381.461 3.835 0 40 GHAB CC(C)N(C(=O)CSc1nnc(NC(=O)c2ccc(F)cc2)s1)C(C)C 1371437 AYUYHRWGOFPGFE-UHFFFAOYSA-N 396.513 3.667 0 40 GHAB CC(=O)c1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 1774483 MXOXYKNHOXWDLW-UHFFFAOYSA-N 378.428 3.684 0 40 GHAB CCCCCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 2064071 LEAIURZPEAKNSU-UHFFFAOYSA-N 396.465 3.588 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@H](C(=O)O)C(C)C)c(C)c3cc12 2096998 ZXTACEYMPBZJEH-SFHVURJKSA-N 399.443 3.622 0 40 GHAB biogenic Cc1ccc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)cc1 2447723 NQEJYTDMEGAQLI-UHFFFAOYSA-N 389.484 3.914 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)c1ccc(F)cc1 3224339 VEZIHUXRKSRUIK-SFHVURJKSA-N 391.826 3.660 0 40 GHAB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)NCCCc1ccccc1 3275298 NTYOQDDWVRQWMO-UHFFFAOYSA-N 380.271 3.828 0 40 GHAB CCN(CC)CCCN/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 3406316 GQKRTCAGSAQWNB-OQKWZONESA-N 391.515 3.532 0 40 GHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 3603768 HDHJDPDRMLBLHI-UHFFFAOYSA-N 380.469 3.856 0 40 GHAB CCc1ccccc1NC(=O)C(=O)NCCc1csc(-c2cccc(F)c2)n1 4375559 UHSWUBTXFSGZCF-UHFFFAOYSA-N 397.475 3.809 0 40 GHAB O=C1C[C@@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 4380273 XOLVWCSAOKQGPM-BDQAWRDZSA-N 386.234 3.953 0 40 GHAB COC(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 4463206 GQDUSHUVGTXIKS-UHFFFAOYSA-N 386.787 3.898 0 40 GHAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)NCc1ccco1 4815591 AXSYTASNTIFXJH-QHCPKHFHSA-N 399.450 3.931 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)NCCc2ccccc2)n1CC(C)C 4860359 NPWIPVMNHXVYQD-UHFFFAOYSA-N 398.532 3.954 0 40 GHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1cccc(C)c1 4943471 PCYZMMFSJDHTRN-UHFFFAOYSA-N 381.432 3.725 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccccc2C)c2ccc(Cl)cc21 4988090 OADDMQVHHDLRIM-NRFANRHFSA-N 387.863 3.631 0 40 GHAB Nc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1C(F)(F)F 5043259 GITGJSUJKNSOBQ-UHFFFAOYSA-N 390.300 3.724 0 40 GHAB CC(C)c1ccc(CN(C(=O)c2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 5093292 FUZGDHXSAGKEHE-SFHVURJKSA-N 389.492 3.779 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)ccc1F 5099587 RYOCHBAKQUYWAB-UHFFFAOYSA-N 388.464 3.624 0 40 GHAB O=C(c1ccco1)N1CCN(c2nc3ccc(Br)cc3s2)CC1 5181359 XZZMPXUBDMUULZ-UHFFFAOYSA-N 392.278 3.614 0 40 GHAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C(=O)C3CC3)CC2)o1 5477652 MWOQGAKRHXHZDB-IBGZPJMESA-N 391.471 3.860 0 40 GHAB C#CCOc1c(/C=C2/SC(=O)N(CC)C2=O)cc(Br)cc1OC 6325751 OUCNZBWOIYMOJU-MDWZMJQESA-N 396.262 3.526 0 40 GHAB CN(C)S(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 6378991 AJCUJYJRYFTUCD-UHFFFAOYSA-N 388.276 3.888 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 6976068 FWVCBIOMORDKIO-UHFFFAOYSA-N 375.472 3.652 0 40 GHAB CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2cncn2-c2ccc(F)cc2)cc1 7178712 AFCAAGDIZNGMRB-AWEZNQCLSA-N 397.406 3.594 0 40 GHAB COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Oc3ccccc3)cc2)c1C 7667138 XZGPOOHQUFCJSR-UHFFFAOYSA-N 378.428 3.814 0 40 GHAB O=c1cc(CN2CCc3sccc3[C@@H]2c2ccccc2)nc2sccn12 8323792 ZJCOLABKGSAXCJ-IBGZPJMESA-N 379.510 3.965 0 40 GHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CCCOc1ccc(Cl)cc1 8429285 YLKFZPWGPCULLZ-NRFANRHFSA-N 384.863 3.893 0 40 GHAB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccc(F)cc1 8748140 COCSZOHROHYKFU-HNNXBMFYSA-N 397.427 3.658 0 40 GHAB COc1cccc([C@H]2CCCN2Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 8754627 RPELGHVTGBDHGX-MRXNPFEDSA-N 381.501 3.819 0 40 GHAB COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc(F)cc3F)c(=O)oc2c1 8991628 CFFNXTSHSKQZHM-UHFFFAOYSA-N 389.354 3.578 0 40 GHAB COc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)c1 9530445 AUUYIVBZRSAHGC-QGZVFWFLSA-N 377.444 3.667 0 40 GHAB COc1cc(/C=C/C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc(OC)c1 9988871 TWQJVCRRCHOQSF-CMDGGOBGSA-N 379.456 3.839 0 40 GHAB Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2cccs2)[nH]c(=O)c1C 11854988 NDRRZALCQADWAY-UHFFFAOYSA-N 397.485 3.615 0 40 GHAB COc1ccccc1OCCN(C)C(=O)c1cc(=O)c2cc(C)c(C)cc2o1 12290634 MTRUCQABSDCHRZ-UHFFFAOYSA-N 381.428 3.569 0 40 GHAB COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)C(C)C)c3nccs3)C2)c1 12408168 IVCPPTPTNOGADB-PKOBYXMFSA-N 387.549 3.877 0 40 GHAB Cc1ccc(-c2csc(=O)n2CC(=O)NCCc2c[nH]c3ccccc23)cc1 12760903 VJUXDEVCQBLVNW-UHFFFAOYSA-N 391.496 3.725 0 40 GHAB Cc1ccc(CNC(=O)Cn2cnc3cc(-c4ccccc4)sc3c2=O)cc1 12788675 CKWAMLBPLOBSFJ-UHFFFAOYSA-N 389.480 3.750 0 40 GHAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 12798579 HMSKWXAYHOYLAI-UHFFFAOYSA-N 399.299 3.958 0 40 GHAB COC(=O)[C@@H](CCSC)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 13000128 LMMVAXVQVHWPLE-QZTJIDSGSA-N 389.542 3.931 0 40 GHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)COc1ccccc1C 13039649 BNKYVOXTXATGGR-UHFFFAOYSA-N 394.393 3.668 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@@H]2CS[C@H](c3cccc4[nH]ccc34)N2)c(C)c1 13573189 UXVQGPJZEIUESL-PZJWPPBQSA-N 394.496 3.914 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)COc1cccc2ccccc12 13684189 FFUOVMVABAYQCB-UHFFFAOYSA-N 392.455 3.624 0 40 GHAB Cc1ccc(N2C[C@@H](c3nnc(NC(=O)C4CCCCC4)s3)CC2=O)cc1 13944436 GOFRHZRCEPUBLU-HNNXBMFYSA-N 384.505 3.886 0 40 GHAB Cc1c(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)oc2ccccc12 14253349 SXSGFSMAECFLHO-QHCPKHFHSA-N 388.423 3.708 0 40 GHAB Cc1ccc(CNC(=O)NCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1 14416601 DKMRMHLHVXZEGY-CYBMUJFWSA-N 394.302 3.978 0 40 GHAB COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 16780157 KPGFRGBQSKRMPF-LBPRGKRZSA-N 384.295 3.806 0 40 GHAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1N1CCCc2ccccc21 17297305 BFWQXWMOHOGTAF-UHFFFAOYSA-N 389.455 3.802 0 40 GHAB COc1ccc2nc(CN3C[C@@H]4[C@@H](CC[C@@]4(O)c4ccc(C)cn4)C3)ccc2c1 19215860 AVABYVVIGCMHLO-VNZMSGEBSA-N 389.499 3.676 0 40 GHAB Cc1cccc(CN2CC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)n1 19236130 DPVKNFUEPRZDHN-VWLOTQADSA-N 385.511 3.977 0 40 GHAB CCCC1(CCC)NC(=O)N(CC(=O)N[C@H](C)c2cc3ccccc3o2)C1=O 19314373 ONWAITAXENGYRM-CQSZACIVSA-N 385.464 3.501 0 40 GHAB Cc1c(-c2cc(C(=O)NC3(CN4CCC(C)CC4)CCCCC3)on2)cnn1C 19554220 FKBMNNKLALAUJI-UHFFFAOYSA-N 399.539 3.548 0 40 GHAB C[C@H]1CN(CCOc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)C[C@H](C)O1 20590819 CTPRCYPDKCSGRM-IRXDYDNUSA-N 393.487 3.937 0 40 GHAB COc1ccccc1-c1ccnc2nc(N3CCc4ccccc4C3)[nH]c(=O)c12 22606795 NUQSRELFEICXAK-UHFFFAOYSA-N 384.439 3.556 0 40 GHAB COC(=O)c1ccc(NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)cc1 23144064 MNDRUDYKOBUCDN-UHFFFAOYSA-N 386.411 3.524 0 40 GHAB Cc1csc(-n2c(C)cc(C(=O)COC(=O)c3n[nH]c4ccccc34)c2C)n1 23487661 GUKYZIZXUOXDBO-UHFFFAOYSA-N 394.456 3.775 0 40 GHAB COc1ccc(-c2cc3ncn(C[C@@H](O)c4ccccc4)c(=O)c3s2)cc1 25308091 WFHXMPXHPSMQES-GOSISDBHSA-N 378.453 3.867 0 40 GHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2cnc3ccccc3c2)CC1=O 25531947 YCXRNEAMZILCTP-MRXNPFEDSA-N 375.428 3.625 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)NCCCCOc3ccccc3)o2)cc1 25537633 JKPQGEBRBVTWEI-UHFFFAOYSA-N 379.460 3.953 0 40 GHAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCCSCc1ccco1 26110957 QYVHTILXYHMZOP-UHFFFAOYSA-N 380.318 3.939 0 40 GHAB COCCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 27460253 CLLUZYOVRHMQRA-SFHVURJKSA-N 399.830 3.647 0 40 GHAB CCn1nnc2cc(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)ccc21 27573272 YLZQGLPASGPJHA-IBGZPJMESA-N 397.548 3.716 0 40 GHAB CCn1cc(Br)c(C(=O)Nc2cc(OC)c(Cl)cc2OC)n1 27971328 BEMNRAJCWXUTAB-UHFFFAOYSA-N 388.649 3.588 0 40 GHAB O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc(Cl)cc1Cl 28283936 LGHGNUSKGJKEBS-OLZOCXBDSA-N 387.288 3.730 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)N(Cc3ccco3)Cc3ccco3)CC2=O)cc1 28580634 XTBJIAHLRKYBOW-KRWDZBQOSA-N 378.428 3.763 0 40 GHAB COc1cccc(CNC(=O)c2csc(-c3cccc(OC)c3OC)n2)c1 29506886 OMFNYVKMDZITHL-UHFFFAOYSA-N 384.457 3.766 0 40 GHAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2N2CCc3ccccc32)c1 31534999 UNQXDJXLEGCQEZ-UHFFFAOYSA-N 394.452 3.880 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Oc4cnccn4)c3)CC2=O)cc1 32029258 SCNVFFJPPUNFCC-INIZCTEOSA-N 388.427 3.569 0 40 GHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2cc(Cl)ccc2F)nn1 32093465 PSTVATXFPCBEIA-LBPRGKRZSA-N 387.802 3.895 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)NCC1(c2ccccc2)CC1)c1ccc(F)cc1 32802330 ZHTXULFPUIZFFA-IBGZPJMESA-N 378.451 3.680 0 40 GHAB COc1ccccc1CN1CCC[C@H]1c1nc(-c2ccc(N(C)C)nc2)no1 35426257 WRQFNSHQSBXURH-KRWDZBQOSA-N 379.464 3.543 0 40 GHAB biogenic,in-vitro CC[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 37021569 AHIPUZOEMJCLIC-KDOFPFPSSA-N 394.924 3.762 0 40 GHAB Cc1cccc(C)c1OCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1 40113702 RFFBIVHLRGCWID-UHFFFAOYSA-N 393.487 3.856 0 40 GHAB Cc1ccccc1CCNC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 40130691 IIOITPRGFOCUKY-UHFFFAOYSA-N 383.473 3.507 0 40 GHAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCN(Cc2ccccc2)CC1 43781294 IODHXJGYFAEJHR-UHFFFAOYSA-N 380.879 3.688 0 40 GHAB O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H](c1ccc(F)cc1)C1CCCC1 44685017 DCIVQCSHVCXDOD-OAQYLSRUSA-N 379.435 3.652 0 40 GHAB CC[C@H](NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1 45404806 CRIXYSIXYPINPC-WFASDCNBSA-N 377.838 3.975 0 40 GHAB Cc1nnnn1-c1cccc(NC(=O)NCc2ccc(Cl)cc2Cl)c1 45687935 SUNBOSLTIHAXPF-UHFFFAOYSA-N 377.235 3.599 0 40 GHAB C[C@@H](NC(=O)c1occc1COc1ccccc1)c1ccc2c(c1)CC(=O)N2 46209680 UELMHFXKNUBPRT-CQSZACIVSA-N 376.412 3.844 0 40 GHAB COc1cc(CCNC(=O)CN(C)[C@@H](C)c2ccccc2)ccc1OC(F)F 47869813 OQQLNFNQBRRSCG-HNNXBMFYSA-N 392.446 3.648 0 40 GHAB COc1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc(OC)c1OC 48245778 BEMDBIZBHHCPPH-ZDUSSCGKSA-N 393.867 3.758 0 40 GHAB COc1ccc(OC)c(-n2cc(C(=O)O)c3c2[C@H](c2ccccc2)CC(=O)N3)c1 49543363 PAXHOVIRMBAOQT-HNNXBMFYSA-N 392.411 3.667 0 40 GHAB biogenic O=C(NCCOc1ccccc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 59488266 OXSLMAPFYCGWIR-ZDUSSCGKSA-N 393.270 3.542 0 40 GHAB COC(=O)c1c(C)[nH]c(-c2ccc(OC)cc2)c1[C@H]1C(=O)Nc2ccccc21 61718192 UDSMQVNLNQVGJR-SFHVURJKSA-N 376.412 3.869 0 40 GHAB O=C(NCc1nc(-c2ccccc2)n[nH]1)Nc1nnc(C2CCCCC2)s1 65578512 VYJMJMKVOBVOJO-UHFFFAOYSA-N 383.481 3.693 0 40 GHAB C[C@]1(c2ccsc2)NC(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O 72066455 ZVAHKSLAGWRSLP-MRXNPFEDSA-N 385.272 3.901 0 40 GHAB O=C(OCc1ccc(Cl)nc1)[C@H]1CCCCN1Cc1ccc(Cl)nc1 72203330 PUKAFVDAHGVGOK-OAHLLOKOSA-N 380.275 3.881 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2C1)[C@@H]1CCCCN1Cc1ccc(F)cc1 72310102 LYJFSOHTXIRWNJ-NQIIRXRSSA-N 382.479 3.548 0 40 GHAB Cc1[nH]c2ccccc2c1CCNC(=O)c1cn([C@H](C)c2ccccc2F)nn1 72341650 IGOWGXLOFWSTGH-OAHLLOKOSA-N 391.450 3.789 0 40 GHAB Cc1nc2cc(F)cc(C(=O)NCCCN3CCc4ccccc43)c2nc1C 84057224 AOHIJXCWSBZBHE-UHFFFAOYSA-N 378.451 3.568 0 40 GHAB CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2F)c1 84721191 KQXMRVBEFIKTDL-FQEVSTJZSA-N 390.459 3.891 0 40 GHAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc([S@](C)=O)c(F)c1 89518906 YRNGCHOFIOKSSY-RSNKEIGGSA-N 389.370 3.988 0 40 GHAB C1=CSC(=c2c3nsnc3c(=C3SC=CS3)c3nsnc23)S1 95919783 ABMLGFPCLXTCEI-UHFFFAOYSA-N 396.594 3.730 0 40 GHAB in-vitro Cc1noc(C)c1CN1CCC2(CC1)C[C@@H](CC(=O)NC1CC1)c1ccccc12 96052984 ZUTNPKCCPRESHA-GOSISDBHSA-N 393.531 3.981 0 40 GHAB Clc1ccc(CN2CC[C@@]3(COCc4cnc(NCC5CC5)nc43)C2)cc1 96244103 CUTXCCRLRSDARH-NRFANRHFSA-N 384.911 3.626 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1 100556478 UEELNKUVRSLMNQ-VKFLQFAXSA-N 390.911 3.670 0 40 GHAB O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102105855 VDWNSTPJAKLJJH-UMVBOHGHSA-N 379.298 3.660 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718359 GJYBCBFKESOKIT-NSHDSACASA-N 379.243 3.994 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C)c1 223000483 IIMSGVMLRAAXCP-SFTDATJTSA-N 392.528 3.800 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 223460793 PDVYCKBFUWWJOO-LJQANCHMSA-N 396.531 3.880 0 40 GHAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1 223517764 WZKDLVYXCPTUNJ-HXUWFJFHSA-N 380.532 3.995 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCC3)cc2C)cc1 224203981 XXKMDYBQEIDUBP-UHFFFAOYSA-N 386.517 3.801 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 225594390 GGHAYRILIABJFD-HNNXBMFYSA-N 390.886 3.964 0 40 GHAB O=C(Cc1cccs1)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1 225630645 QKBPKHXDXXGJDG-OAQYLSRUSA-N 398.572 3.963 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)COc2ccccc2)c1 225783285 UTNLTNODBVMAQB-GFCCVEGCSA-N 378.881 3.881 0 40 GHAB CNC[C@H]1CC[C@H](c2cc(CN(C)Cc3cccc(C)c3OC)n(C)n2)CC1 257214104 CKNKAPYOBBTTQN-WGSAOQKQSA-N 384.568 3.862 0 40 GHAB Cn1cc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)n1 257280187 OJWJGORHKXVRFL-SAABIXHNSA-N 375.476 3.581 0 40 GHAB CNC(=O)c1sc2nc([C@@H]3CCCCN3Cc3cccc(C)n3)ccc2c1N 257332358 XWYOURDVUQZKPR-KRWDZBQOSA-N 395.532 3.669 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3cccs3)C[C@@H]2N1Cc1ccc(F)cc1 306144470 ZGCTZEIPAMHXRI-UXHICEINSA-N 381.476 3.770 0 40 GHAB CCOC(=O)COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 409120407 VTYZPYNEKSLYEE-UHFFFAOYSA-N 385.441 3.583 0 40 GHAB Cn1nccc1[C@H]1CCCN(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)C1 548889558 DVJAWXRKVDQHCZ-AWEZNQCLSA-N 390.890 3.833 0 40 GHAB O=C(O)c1csc(CN2CCC(c3ccccc3Br)CC2)n1 568992420 IRQJOBVUFVQQDG-UHFFFAOYSA-N 381.295 3.983 0 40 GHAB C[C@H](NC(=O)Cc1coc2ccccc12)c1cc(F)ccc1N1CCN(C)CC1 585081693 IHYKWVGLDHVPQF-INIZCTEOSA-N 395.478 3.744 0 40 GHAB O=C(C1CC(F)C1)N1CC[C@@H](OCc2ccncc2)[C@H](Cc2ccccc2)C1 585113483 PNUXNWZMZOSGET-JYAXOCDNSA-N 382.479 3.806 0 40 GHAB O=C(Nc1ncccc1-c1ccccc1)[C@@H](C[C@H]1COCCO1)C(F)(F)F 622835889 GJHDOXSKKPUMEY-GOEBONIOSA-N 380.366 3.671 0 40 GHAB c1cn(CCCN=c2ccc(-c3ccc(OC[C@H]4CCCCO4)cc3)c[nH]2)cn1 629706620 MJUNFDRFIYOYMQ-JOCHJYFZSA-N 392.503 3.817 0 40 GHAB O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)Nc1ccc(Cl)c(Cl)c1 664327150 GBDRSPMSFMNRRV-MRXNPFEDSA-N 394.302 3.882 0 40 GHAB Cc1[nH]ccc(=NC(=O)NCc2cccc(OC3CC3)c2F)c1Br 666836584 WEGODNFCCYHRMI-UHFFFAOYSA-N 394.244 3.576 0 40 GHAB C[C@H]1C[C@@H](C)C[C@H](CNC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)C1 1230794020 UTBLVUIKULPCQK-PIIMJCKOSA-N 392.588 3.865 0 40 GHAB COc1ccccc1C1(C(=O)NC[C@H](O)c2ccc(-c3cccs3)o2)CC1 1775967271 KMXWFEDDOSYWLS-HNNXBMFYSA-N 383.469 3.898 0 40 GHAB O=C(N[C@@H]1CCN(C2CCOCC2)C1)c1cccc(Oc2ccc(F)cc2)c1 1888926434 LUDWVZCSAYXUEQ-GOSISDBHSA-N 384.451 3.601 0 40 GHAB COc1cccc(CN2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037840470 NHZIZXUAUCYZMN-QHCPKHFHSA-N 398.478 3.622 0 40 GHAB O=C1N(c2ccccc2)CCCC[C@@]12CN(Cc1cccc(F)c1F)CCO2 2037984340 YAAVZEWMITUUAS-JOCHJYFZSA-N 386.442 3.753 0 40 GHAB CC(C)NC(=O)C1(Nc2cccc(F)c2)CCN(Cc2cccs2)CC1 2055745631 PFKNKBNLERLCMC-UHFFFAOYSA-N 375.513 3.859 0 40 GHAB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2cc3ccccc3o2)CC1 679726 YQRLGIBXAGOECB-UHFFFAOYSA-N 391.471 3.990 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)n2C)cc1 916547 YOKCKNBURDTRBL-HZPDHXFCSA-N 388.537 3.584 0 40 GHAB Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1Cc1ccccc1 2254230 HRSZVNGPBKIPQR-UHFFFAOYSA-N 385.471 3.887 0 40 GHAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1ccco1 2657729 SPECMAKJUWBHLY-UHFFFAOYSA-N 399.424 3.980 0 40 GHAB O=C(Nc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3181863 UYANCRGKJLNSRW-UHFFFAOYSA-N 380.469 3.877 0 40 GHAB O=C(O)CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Cl 3327972 VSRSQRYILCZIFO-UHFFFAOYSA-N 388.272 3.659 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl 3367340 SBIRNVLUGPMSQT-IUCAKERBSA-N 379.671 3.988 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(OC(F)F)c2)cc1 3394265 OOJTZKDMSGWZIY-LBPRGKRZSA-N 377.343 3.675 0 40 GHAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCC(F)(F)F 3483891 RDUQTZHHIUKCGK-UHFFFAOYSA-N 392.406 3.705 0 40 GHAB CC1=C2C[C@@H]3[C@@H](CN(C)C[C@H](O)c4ccc(O)cc4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4073149 DNZIKYSLYLRNLJ-IBMWBZEQSA-N 399.531 3.816 0 40 GHAB biogenic COc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2)CSC3)cc1 4077273 IMDHWKGBCFRGLJ-UHFFFAOYSA-N 381.457 3.645 0 40 GHAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1 4373487 DDOWEKOMJWMOSE-IBGZPJMESA-N 375.432 3.604 0 40 GHAB C/N=c1\scc(-c2ccccc2)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 4548563 BMCGLWNRXGJMRP-DQRAZIAOSA-N 376.485 3.534 0 40 GHAB O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1C1CCCC1)Nc1ccccc1 4738705 AOMJCIIRGYZFTL-LJQANCHMSA-N 395.434 3.934 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2cccnc2)Cc2ccccc2)cc1OC 4776104 CDZBOQFPIHBTNL-HXUWFJFHSA-N 376.456 3.855 0 40 GHAB COc1ccc(/C=C/C(=O)OCc2cc(=O)oc3cc(C)ccc23)c(OC)c1 4821844 LYSTTYBIJFXGTE-RMKNXTFCSA-N 380.396 3.875 0 40 GHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 5171060 KUYZQMVIEZOVHP-GFCCVEGCSA-N 387.892 3.716 0 40 GHAB O=C(Nc1ccc(OC(F)F)cc1)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5201347 IIKQAFLXJHREJJ-ZDUSSCGKSA-N 395.793 3.868 0 40 GHAB Cc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1Cl 5318439 FXRPDAQEOUVEEN-UHFFFAOYSA-N 387.892 3.937 0 40 GHAB O=C(CN1CCCCCC1=O)OCc1csc(-c2ccc(Cl)cc2)n1 5540042 VXZLSRXUGDTWRH-UHFFFAOYSA-N 378.881 3.909 0 40 GHAB N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(CO)cc1)C(=O)O 6578906 NYCFZGXVZKOYSP-OAQYLSRUSA-N 393.508 3.616 0 40 GHAB CCCN1C(=O)S/C(=C/c2cc(Br)cc(OCC)c2O)C1=O 6656020 HGRSYXGCWCWMDH-KPKJPENVSA-N 386.267 4.000 0 40 GHAB O=C(Cn1cnc2sccc2c1=O)N[C@@H](c1ccc(F)cc1)c1cccs1 7086313 VWYMFXSOXMYFGE-KRWDZBQOSA-N 399.472 3.564 0 40 GHAB CCCCCNCc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 7261292 SCNLXTDFNZUYFT-UHFFFAOYSA-N 395.507 3.838 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)Nc1c(F)cccc1F 7405398 AAQWPWYCZPONAR-UHFFFAOYSA-N 378.194 3.537 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)c3cn(C)c4ccccc34)n2C)cc1 7459180 MJHINCPPWBKIIO-UHFFFAOYSA-N 392.484 3.957 0 40 GHAB Fc1ccccc1NC(=S)N1CCN(C(=S)Nc2ccccc2F)CC1 7570319 MJWPPWTVUUCULU-UHFFFAOYSA-N 392.500 3.676 0 40 GHAB O=C1CCCN1c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 7612590 XTFHMELUMQGOQJ-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB CN(C(=O)CSc1nnc(-c2cccnc2)o1)[C@H]1CCCc2ccccc21 7719498 JDMAUPQKWQXBKL-KRWDZBQOSA-N 380.473 3.760 0 40 GHAB O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(OCc2ccccc2)cc1 7780237 POGHPHRMHGYFPV-UHFFFAOYSA-N 391.456 3.619 0 40 GHAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc2c(c1)NC(=O)CS2 7786856 AKESUPIAIZBOMO-UHFFFAOYSA-N 385.441 3.689 0 40 GHAB NC(=O)c1c(NC(=O)CN2CCC[C@H]2c2cccs2)sc2c1CCCC2 8036335 RLATZDRCULHHLQ-ZDUSSCGKSA-N 389.546 3.563 0 40 GHAB Cc1ccc(C)c(-n2nnnc2SCc2cc(Cl)c3c(c2)OCCO3)c1 8132700 YTYRZPSAUNVSQN-UHFFFAOYSA-N 388.880 3.996 0 40 GHAB C[C@@H](NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O)c1cccc2ccccc12 8274229 RHSYMGLYWFXIRJ-MRXNPFEDSA-N 393.487 3.662 0 40 GHAB Cc1cc(NC(=O)CSc2ncnc3sccc23)n(-c2ccccc2)n1 8316675 LRWWHQLYGXWDAL-UHFFFAOYSA-N 381.486 3.916 0 40 GHAB COc1cc(CNC(=O)CSCc2ccc(C)cc2)cc(OC)c1OC 8361597 LDNXAZNSGOUZMW-UHFFFAOYSA-N 375.490 3.570 0 40 GHAB C[C@H](NC(=O)CSc1nnnn1C1CCCC1)c1ccc2c(c1)CCCC2 8389078 YBVBYZYHVIHSHM-AWEZNQCLSA-N 385.537 3.637 0 40 GHAB Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)c1 8433527 XZJVAOAKJPQEAT-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1 9033342 PYKLFLZUXNIISJ-UHFFFAOYSA-N 392.249 3.572 0 40 GHAB COc1ccc(CCc2nnc(NC(=O)c3ccc(OC)cc3OC)s2)cc1 9196732 QNQNUKHPRKSYOW-UHFFFAOYSA-N 399.472 3.601 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c(C)c1 11612708 JMGGEIKXCIOVNZ-SFHVURJKSA-N 386.517 3.875 0 40 GHAB CCOC(=O)Cn1c(SCCOc2ccccc2OC)nc2ccccc21 11667106 FZTOEMVTWXIAGK-UHFFFAOYSA-N 386.473 3.779 0 40 GHAB Cc1cc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)ccc1N1CCCC1=O 11743322 BUEDWKIBPPJVCA-SFHVURJKSA-N 395.484 3.563 0 40 GHAB Cc1nc(OC(C)C)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 12224185 YAEAZNJERGUELH-UHFFFAOYSA-N 389.887 3.580 0 40 GHAB CCOc1ccc2[nH]c(C(=O)N3CCC(O)(c4cccc(C)c4)CC3)cc2c1 12325275 UFBMLAFMNRNVDA-UHFFFAOYSA-N 378.472 3.999 0 40 GHAB COc1ccc(/C=C(\C(=O)N(C)CCc2ccccc2)n2ccccc2=O)cc1 12463930 HFAMBDLHVXYWHM-RELWKKBWSA-N 388.467 3.556 0 40 GHAB O=C(CSc1ccccc1C(=O)O)Nc1cc2c(cc1Cl)OCCO2 12785711 IJQIZWGGHYSWFO-UHFFFAOYSA-N 379.821 3.540 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1nn(-c3ccccc3)nc1C)O[C@H](C)C2 13011104 FWTMUUIOWQZWCY-CYBMUJFWSA-N 378.432 3.550 0 40 GHAB C[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)N[C@@H]1CCCc2ccccc21 13629839 LHHSMZZWVNOXPL-KNXBSLHKSA-N 391.515 3.946 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3cc(F)ccc3F)n2)cc1 13801380 FFQZDEWDGBCKAD-UHFFFAOYSA-N 398.413 3.709 0 40 GHAB COCCN(C(=O)CSc1nnc(-c2ccoc2C)o1)C1=CCCCC1 14017198 CPWSHVBLTZCNAG-UHFFFAOYSA-N 377.466 3.663 0 40 GHAB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(Cl)cc1Cl 14181917 GFJNYYWYCUUGRF-KOEDOTQGSA-N 389.282 3.706 0 40 GHAB COCc1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1ccco1)C3 14607771 ZRIFANVXVNLYCN-ZDUSSCGKSA-N 392.390 3.583 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(Cl)c2c(c1)OCCO2 15096367 IBMCOSKCLYKPRV-CYBMUJFWSA-N 398.850 3.525 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 15583516 BCJXQYGFJYUZJN-QGZVFWFLSA-N 392.425 3.640 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCC(C)CC2)o1 15860491 NRQPFGQCNXFWJA-IBGZPJMESA-N 394.471 3.897 0 40 GHAB COC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1 15883231 JXKWKVRNKZSHEJ-UHFFFAOYSA-N 396.830 3.589 0 40 GHAB CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCC[C@@H](C)C3)c(O)n2n1 16690054 MTCLGGPTVZHYHO-DYVFJYSZSA-N 386.521 3.889 0 40 GHAB O=C(c1ccccc1Cl)N1CCN(c2ccc(-c3cccs3)nn2)CC1 17170790 QFWZJEVZRBYJBD-UHFFFAOYSA-N 384.892 3.821 0 40 GHAB COc1cc(C)c(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc1OC 18083237 AWGFFFMZOZQWGH-UHFFFAOYSA-N 379.460 3.996 0 40 GHAB COc1ccc2c(c1)C[C@H](C(=O)NCCc1nc(-c3ccccc3)cs1)CO2 19562448 PXWYYCFHSDOQFU-KRWDZBQOSA-N 394.496 3.729 0 40 GHAB Cc1ccc(Cn2c(=N)n(C[C@@H](O)COc3ccccc3)c3ccccc32)cc1 19854769 QFXRDIRBBPLBCV-HXUWFJFHSA-N 387.483 3.719 0 40 GHAB CC1(C)CC(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2C1 20801020 IQNJPODTZLXWLW-UHFFFAOYSA-N 392.499 3.625 0 40 GHAB Cn1cccc1[C@H](CNC(=O)c1ccc(F)cc1F)N1CCc2ccccc2C1 21151768 OSJMILMTETXFOO-QFIPXVFZSA-N 395.453 3.833 0 40 GHAB Brc1cc(CN[C@H]2CCN(Cc3ccccc3)C2)cc2c1OCO2 22780472 BUWGJYILMKUEMJ-INIZCTEOSA-N 389.293 3.542 0 40 GHAB Cc1ccc(OC[C@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 22793497 DVSFGJOJDJRJNF-OAQYLSRUSA-N 388.939 3.514 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(Cc2ccsc2)CC1 22912426 UKNBWPGWMDZUIG-AWEZNQCLSA-N 393.940 3.555 0 40 GHAB CCN(CC)[C@H](CNC(=O)[C@H]1Cc2ccccc2S1)c1cccc(OC)c1 23074408 OMKHLHCXFROAKY-TZIWHRDSSA-N 384.545 3.911 0 40 GHAB O=C1C(=O)N(CN2CCC(c3nc4ccccc4s3)CC2)c2ccc(F)cc21 23881947 CJTRJSOPIOGDNL-UHFFFAOYSA-N 395.459 3.802 0 40 GHAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1NS(C)(=O)=O 24890739 KTLHELWGGUMLIN-UHFFFAOYSA-N 393.515 3.804 0 40 GHAB O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@H](O)COc1ccc(Cl)cc1 24969943 LMICDQCPULRMBY-LBPRGKRZSA-N 399.661 3.797 0 40 GHAB O=C1N=C(O)[C@]2(Cc3cccc(F)c3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 25185090 QTDAMFATORMQAT-VGOFRKELSA-N 393.418 3.850 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 30495984 OMQIVXPROLBRKL-ZDUSSCGKSA-N 378.881 3.506 0 40 GHAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(OC)c2)c(-n2cnnc2)c1 32646824 XYSSTVRVBMCJNL-HNNXBMFYSA-N 380.448 3.807 0 40 GHAB Cc1oc(-c2cccs2)nc1CC(=O)NC[C@@H](C)N1CCc2ccccc21 32815259 SEWNGZCSIGDTPB-CQSZACIVSA-N 381.501 3.821 0 40 GHAB COc1ccc(-n2c(=O)c(CCC(=O)Nc3ccccc3)nc3ccccc32)cc1 32975869 QGQLFJDUDNYOQM-UHFFFAOYSA-N 399.450 3.966 0 40 GHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2C)cc1 35507562 BBPLHVJLPQXILA-LJQANCHMSA-N 375.432 3.523 0 40 GHAB CCCCn1nc(C)c2c(C(=O)NCc3ccnn3CC)cc(C3CC3)nc21 36616726 VYGKYGUGGNWTBK-UHFFFAOYSA-N 380.496 3.564 0 40 GHAB COc1ccc(-c2cc(C(F)F)nc(NCCn3nccc3C)n2)cc1OC 36618566 KQWPVPAANKLTLG-UHFFFAOYSA-N 389.406 3.715 0 40 GHAB CCCn1nc2c(c(C(F)F)cc(=O)n2CCC(=O)Nc2ccccc2)c1C 36621495 ALNJYPUDCNNKBC-UHFFFAOYSA-N 388.418 3.883 0 40 GHAB CCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)c1 39748162 CWRRJSDNJVNDLY-UHFFFAOYSA-N 382.445 3.815 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1 40057931 GJGPDMUYLOKEJW-MOPGFXCFSA-N 386.492 3.731 0 40 GHAB COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)c(Cl)cc2OC)c1C 40128767 SQHUUFXMDMPPPU-UHFFFAOYSA-N 394.855 3.657 0 40 GHAB CC(=O)c1ccccc1NC(=O)CNc1cc(Cl)ccc1C(=O)N1CCCC1 42740307 RSAWUSUVTOZJQY-UHFFFAOYSA-N 399.878 3.829 0 40 GHAB O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CCOc2ccccc21 45124183 IMWPDRPTJULROL-OAQYLSRUSA-N 379.504 3.996 0 40 GHAB CC(C)(C)c1nc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cs1 47348896 ZLBISCVUKONEEU-MRXNPFEDSA-N 382.489 3.585 0 40 GHAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1c[nH]ccc1=O 47929256 KEGQYRLKLXGONV-UHFFFAOYSA-N 379.363 3.698 0 40 GHAB Cc1cccc(CN(c2ccccc2)S(=O)(=O)c2cccn3c(C)nnc23)c1 49404823 KMHGCBVPOVODMW-UHFFFAOYSA-N 392.484 3.742 0 40 GHAB CCOc1cc(CN(C)C(=O)c2cnc3[nH]nc(C)c3c2)ccc1OC(F)F 58101218 AXXURQWSJBJLJO-UHFFFAOYSA-N 390.390 3.539 0 40 GHAB Clc1ccc(-c2nc(CN(C[C@@H]3CCCO3)C[C@@H]3CCCO3)no2)cc1 65491017 HBZWHDOSIQJLPB-IRXDYDNUSA-N 377.872 3.550 0 40 GHAB Cc1ncc(CN(C)C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)s1 69948498 FWPXDAIGLFWHBU-UHFFFAOYSA-N 381.461 3.763 0 40 GHAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)C4CCN(C)CC4)C3)n2)c1 72350382 QUVOFFHKTBXGBD-FQEVSTJZSA-N 393.531 3.805 0 40 GHAB O=C(Cc1cccnc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72358819 PSWALSMRVZKDKD-QGZVFWFLSA-N 376.435 3.626 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC[C@H](c2nnc3ccccn23)C1 78825194 SBYJYWIHRYCPIM-GJZGRUSLSA-N 383.883 3.589 0 40 GHAB Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N1CCC(O)CC1 79045934 KGVMQJMVCGLXPD-UHFFFAOYSA-N 389.293 3.780 0 40 GHAB COCCN(Cc1cccnc1)C(=O)c1cc(C2CC2)nc2ccc(OC)cc12 89414023 CIWHIKZSTNDOMJ-UHFFFAOYSA-N 391.471 3.805 0 40 GHAB COc1ccccc1N1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 89473931 QVSUXZWXBSYQSF-GOSISDBHSA-N 385.895 3.664 0 40 GHAB O=C(Nc1ccccc1CN1CCC(O)CC1)[C@H]1C[C@@H]1c1cc(F)ccc1F 89813922 LSLLJFFVIYZHEJ-MJGOQNOKSA-N 386.442 3.664 0 40 GHAB OCCNCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 95190921 WZXCXPYRCXSCNR-UHFFFAOYSA-N 384.907 3.744 0 40 GHAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[C@H](O)c2ccccc2C1 95466720 GOSAUHSDKWUBLU-ACJLOTCBSA-N 394.393 3.852 0 40 GHAB O=C(/C=C/c1cccs1)NCCn1nc(-c2ccccn2)c2c1CCCC2 96121487 ATVZIWVNYYHOKE-ZHACJKMWSA-N 378.501 3.715 0 40 GHAB O=C(Cc1cccnc1)N1CCC[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 96267875 RLNYYSGCQXDSTN-HXUWFJFHSA-N 383.455 3.698 0 40 GHAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)cc1-n1cnnn1 98113458 VZFCFTJQRMLIRI-UHFFFAOYSA-N 386.415 3.755 0 40 GHAB Cn1ccnc1C1(O)C[C@@H]2CC[C@@H](C1)N2C(=O)c1ccccc1-c1ccccc1 100128685 GSUBEWXCYXHHCD-OALUTQOASA-N 387.483 3.742 0 40 GHAB O=C(NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1)C1CCCC1 100159036 TYUKKRXXAQVIIO-BETUJISGSA-N 395.429 3.723 0 40 GHAB Cc1c2c(=O)n(-c3ccccc3)nc-2cc(O)n1CCc1c[nH]c2ccccc12 102492474 OQQBJSLNVDBZCD-UHFFFAOYSA-N 384.439 3.877 0 40 GHAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc2ncsc2c1 207997142 NNQRNUMPNCTUJZ-OAHLLOKOSA-N 392.440 3.585 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1 222536173 NDHJDPOPGUPNKD-ZDUSSCGKSA-N 395.286 3.536 0 40 GHAB Cc1cccc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 223130016 HJOCWTQQAYMIDO-LJQANCHMSA-N 396.531 3.748 0 40 GHAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 223429301 XMTLGGGMZUCQHM-PMACEKPBSA-N 378.501 3.601 0 40 GHAB CSc1nnc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)s1 223643240 GXLPFUXXBFEMEG-UHFFFAOYSA-N 382.942 3.764 0 40 GHAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 223684207 KECRFCCXWIQQOX-UXHICEINSA-N 398.532 3.534 0 40 GHAB Cc1nc(/C=C2/SCCN2C(=O)c2cn3c4c(cccc4c2=O)CC3)cs1 225258928 HWEGFQJYRZKDRE-RQZCQDPDSA-N 395.509 3.510 0 40 GHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](N2CCc3ccccc3C2)C1 225685396 WFCKNWFLOUCVOY-SFHVURJKSA-N 390.405 3.858 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2nc(-c3ccccc3)no2)c1 225813715 AOZRMYPWIIHOHP-UHFFFAOYSA-N 396.472 3.708 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cccc(C)c2C)CC1 244219450 VYYQPQCVYUHSFJ-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3F)o2)n1 257220644 DLOSAIVHNFFRSD-LJQANCHMSA-N 382.439 3.582 0 40 GHAB CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccnn1 257260884 LEXJXQILYPMCLN-CFKFVRPNSA-N 390.531 3.565 0 40 GHAB CC(C)n1cc(C2=CCCN(C(=O)N[C@@H](C)c3ccc4n[nH]cc4c3)CC2)nn1 517076090 HWBDEYPWDQSBSF-HNNXBMFYSA-N 393.495 3.685 0 40 GHAB CCn1nc(C)c(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)c1C 517947709 DHLDWIUCEYYQPG-UHFFFAOYSA-N 375.904 3.806 0 40 GHAB Cc1sc(-n2cnnn2)c(C(=O)NCCSc2ccc(Cl)cc2)c1C 524733629 ZEWPXSDBPFOYGV-UHFFFAOYSA-N 393.925 3.516 0 40 GHAB Cc1nc2ccc(C(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)cc2nc1C 548110101 UVEBSQYBRODQRK-UHFFFAOYSA-N 393.462 3.596 0 40 GHAB COc1cc(NC(=O)N2CC3(CCCC3)[C@H]2C(C)C)cc(S(C)(=O)=O)c1 581927324 DGAASLWHZMMFLM-QGZVFWFLSA-N 380.510 3.531 0 40 GHAB CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCc3cccc(Cl)c32)cs1 608555721 RNFUGCKAOYYUEZ-UHFFFAOYSA-N 377.897 3.913 0 40 GHAB O=C(O)c1ccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)nc1 642218757 HLQSAHOMERMABS-UHFFFAOYSA-N 383.307 3.540 0 40 GHAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC[C@@H](Oc2cnsn2)C1 670951231 FLEGMPLKBRZHGN-QGZVFWFLSA-N 385.420 3.763 0 40 GHAB C[C@@H](NC(=O)NC[C@@H]1C(C)(C)C1(F)F)c1ccc(N2CCCCC2=O)cc1 852347301 CJAQBGRTGDUXRS-CZUORRHYSA-N 379.451 3.855 0 40 GHAB O=C(C1CC(F)(F)C1)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1775996009 QRFYSXLAKZYAQR-NSHDSACASA-N 378.341 3.763 0 40 GHAB Clc1cnccc1OCC1CCN(c2nccn3nc(C4CC4)cc23)CC1 1889191835 HMLHEUZRNXWICO-UHFFFAOYSA-N 383.883 3.951 0 40 GHAB CSc1ccccc1NC(=O)N1CC2(C[C@H](N3CCCCC3)CS2)C1 2056223903 GXYBBCHANKLBCW-HNNXBMFYSA-N 377.579 3.986 0 40 GHAB COC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)sc2c1CCC2 11914301 SZNSJAZNZCPICJ-UHFFFAOYSA-N 397.452 3.999 0 40 GHAB CCOC(=O)N1N=N[C@@H](c2ccccc2)[C@@]1(c1ccccc1)N1CCOCC1 1720271 AAOMVLZPTXZACL-FPOVZHCZSA-N 380.448 3.752 0 40 GHAB COc1cc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)ccc1NC(C)=O 78975246 WACGPMRSFXQTDB-AZUAARDMSA-N 397.475 3.774 0 40 GHAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O 79020873 TUMKZRSMZNKDCK-UHFFFAOYSA-N 397.381 3.839 0 40 GHAB CC(C)n1ccc2ccc(C(=O)N3CCN(CCc4ccncc4)CC3)cc21 79494234 MNHXWMBMMQUNOO-UHFFFAOYSA-N 376.504 3.618 0 40 GHAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1C[C@]2(C)C[C@H]1CC(C)(C)C2 2428600 SSTRELGFKVZOAD-JLCFBVMHSA-N 383.492 3.794 0 40 GHAB Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc(Br)cc1 2705778 PNVXDORBVCNCJB-UHFFFAOYSA-N 375.201 3.730 0 40 GHAB COc1cc2c(cc1[C@@H](CC(C)=O)c1cc(OC)c(OC)c(OC)c1)OCO2 3053419 XSTIJJBBQHDQOM-AWEZNQCLSA-N 388.416 3.561 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 3235076 BGMGZFNMMOPEMO-UHFFFAOYSA-N 376.460 3.861 0 40 GHAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccc5c(c4)OCO5)[C@H]3C=C12 4023305 QUZXPGDFWJMGHK-WSTFPUPSSA-N 383.488 3.819 0 40 GHAB biogenic Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc2c(C)nn(C)c2s1 22286161 FQUDUUMLUVXBCY-UHFFFAOYSA-N 377.853 3.701 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1C[C@H]1c1ccccc1 669628 IZTOXBAVGARGNF-IRXDYDNUSA-N 399.497 3.686 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccccn2)o1 7365816 BFQUGVPBJRDFLE-UHFFFAOYSA-N 376.825 3.524 0 40 GHAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 7637613 CCRYRECHBUFTBG-UHFFFAOYSA-N 394.515 3.915 0 40 GHAB COc1ccc(NC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 8117634 CGIKAELXCGHWEL-UHFFFAOYSA-N 388.272 3.805 0 40 GHAB COc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C 8369132 NLMOGOGHEILMPS-UHFFFAOYSA-N 392.249 3.905 0 40 GHAB COc1cccc([C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)c2nccn2C)c1 24021197 CQBTXPVIKWFRBE-AWEZNQCLSA-N 379.247 3.583 0 40 GHAB C[C@H](OC(=O)c1cc(Br)ccc1F)C(=O)N1[C@@H](C)CCC[C@H]1C 105547628 INJMDDPRRFOOPN-TUAOUCFPSA-N 386.261 3.923 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)Nc2cc(F)ccc2OCC(F)(F)F)c1 24989598 YAASXMBHCONZMB-UHFFFAOYSA-N 391.342 3.770 0 40 GHAB CCc1cc(=O)n2nc(N(C)[C@@H](C)[C@H](C)c3ccc(Cl)cc3)sc2n1 106923319 XMTKJGHYMGFZEM-RYUDHWBXSA-N 376.913 3.995 0 40 GHAB Cc1cc2ncn(C[C@H](O)COc3ccccc3C(=O)OC(C)C)c2cc1C 3194010 DHHGUPXITNAYQS-KRWDZBQOSA-N 382.460 3.658 0 40 GHAB CC(C)OC(=O)C[C@H](NC(=O)N[C@H](C)Cc1ccc(O)cc1)c1ccccc1 56769122 YPKYKMUEVBRVHK-UZLBHIALSA-N 384.476 3.705 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 113940467 LVJONOBDXNCCMC-CYBMUJFWSA-N 380.897 3.696 0 40 GHAB C[C@@H]1CCC[C@H](O[C@H](C)C(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)C1 108387457 YVVNVNVTZGVOGD-MDZRGWNJSA-N 385.483 3.880 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)NC1CCCC1 3249531 QXQLTIKZWYLGQF-UHFFFAOYSA-N 397.475 3.676 0 40 GHAB COc1cc(NC(=S)NC(=O)CCC(C)C)ccc1-c1ccc(CO)o1 20151367 XICJKOKHEULTNJ-UHFFFAOYSA-N 376.478 3.697 0 40 GHAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@H](O)CN1CCO[C@H](c2ccc(F)cc2)C1 102793751 HCTQBABQZRDQQK-PDGJWGCVSA-N 389.511 3.569 0 40 GHAB O=C(c1ccco1)N1C[C@@H]2CCC[C@@H](C1)C2n1nc(-c2ccccc2)ccc1=O 100726948 YWROPUIIZJCNSN-ROUUACIJSA-N 389.455 3.617 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 28293649 XJBDJHICRSNZQH-KRWDZBQOSA-N 379.460 3.963 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 28293698 UWYDAAGWPTUNRQ-QGZVFWFLSA-N 379.460 3.963 0 40 GHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nnc(C2CC2)s1 3311175 KBFNKGUYZXXRCM-UHFFFAOYSA-N 379.441 3.664 0 40 GHAB COCCOC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc12 2325323 TUZZSHVMUNBWKH-CQSZACIVSA-N 390.443 3.579 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CNC(=O)c3ccccc3F)n2)s1 11514879 KPJYCJVRLWTCJK-UHFFFAOYSA-N 375.450 3.688 0 40 GHAB CCN(CC)[C@@H](CNC(=O)NCCc1ccc(OC)cc1)c1cccc(OC)c1 29319235 DJLNBJLOBLFFGG-QFIPXVFZSA-N 399.535 3.629 0 40 GHAB Clc1snnc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 48309254 IMHUAELQSYAJKJ-SECBINFHSA-N 399.954 3.983 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1cc(C)cc(C)c1 12857690 FDCTXKHERXGVOH-UHFFFAOYSA-N 399.878 3.621 0 40 GHAB CCOC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 3416219 RLCCGCRCXFWRCK-UHFFFAOYSA-N 388.876 3.753 0 40 GHAB O=C(CCCOc1ccc(Br)cc1)Nc1nnc(C2CC2)s1 3550961 QXKJEVSAFWIEEM-UHFFFAOYSA-N 382.283 3.976 0 40 GHAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ncc(Cc2ccccc2)s1 12901754 DFOXVAHXJBGQSU-UHFFFAOYSA-N 391.456 3.750 0 40 GHAB Cc1cccc(OC[C@@H](O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 12971519 OKZTXHLEVGAXEY-KRWDZBQOSA-N 392.480 3.873 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc3c(c2)OCCO3)cc1Cl 12916251 IHFMSVYNVMROPN-CYBMUJFWSA-N 390.867 3.579 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 13040016 QZIBQYCCEFHCQU-UHFFFAOYSA-N 383.801 3.645 0 40 GHAB Cc1oc2cc3oc(=O)c(CCC(=O)N4CCC(=O)CC4)c(C)c3cc2c1C 8765106 USCRFZZAAWAKOC-UHFFFAOYSA-N 381.428 3.589 0 40 GHAB biogenic O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(F)cc2)N1C[C@@H]1CCCO1 13126948 BEHLPQAYVRALQI-BTYIYWSLSA-N 393.418 3.646 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)c1nc2ccccc2c(=O)[nH]1 6082750 BQLIQQZQUUOGLI-OAHLLOKOSA-N 388.427 3.644 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc3oc4ccccc4c3c2)C1 5021013 KDNWOFBARRSBDF-HNNXBMFYSA-N 381.428 3.767 0 40 GHAB Cc1ccc(N2C(=O)C[C@@]3(CC(c4ccc(Br)cc4)=NO3)C2=O)cc1 5054324 IBOFEWHTISWKTA-IBGZPJMESA-N 399.244 3.584 0 40 GHAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)NC3CC3)ccc12 5346540 YHINYWCSOVVKRF-UHFFFAOYSA-N 377.440 3.658 0 40 GHAB COCCNc1nnc(SCc2ccc(F)cc2Br)s1 14170047 GRVWKDVKDXUEGF-UHFFFAOYSA-N 378.292 3.790 0 40 GHAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)[C@H]1CCCN1C(=O)c1ccco1 14199648 MUFMCQHCDQAZAJ-LSDHHAIUSA-N 390.892 3.891 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2[nH]c3ccc(Br)cc3c2C)C1 5451915 WVBXKQMUJZBHFO-GFCCVEGCSA-N 393.281 3.654 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 9198970 RAYSSWBMZZKCSQ-CQSZACIVSA-N 399.853 3.990 0 40 GHAB CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC(=O)N(C)C 5583161 PYQHFXLKMOXTFM-UHFFFAOYSA-N 386.473 3.565 0 40 GHAB CC(C)C[C@H]1OCC(C)(C)n2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c21 6660697 XNPAZRXQQHXLFY-MRXNPFEDSA-N 395.503 3.558 0 40 GHAB Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)N(CC(C)C)C2=O)c1 4704120 ZNRGDIDPUVMJHJ-IBGZPJMESA-N 397.450 3.956 0 40 GHAB CCc1cccc2c(C(=O)[C@H](Sc3nnnn3C)c3ccccc3)c[nH]c12 4807771 QIKLGFAGLBFVKW-LJQANCHMSA-N 377.473 3.970 0 40 GHAB COc1ccc2[nH]/c(=N\C(=S)NC(=O)c3cccc(Cl)c3)sc2c1 6847801 UCLWMXZTQGEQPT-UHFFFAOYSA-N 377.878 3.507 0 40 GHAB Cc1c(-c2nsc(NC(=O)c3ccccc3)n2)nnn1-c1ccc(Cl)cc1 6914344 YLGKTCAQFYBYNW-UHFFFAOYSA-N 396.863 4.000 0 40 GHAB C[C@@]1(C(=O)NCCSc2ccccc2)CCCCN1C(=O)c1ccccc1 96007090 WTMQBNYNFLSNSC-QFIPXVFZSA-N 382.529 3.980 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)o1)NCCc1c[nH]c2ccccc12 7290923 VJLSNJIYXKLONV-UHFFFAOYSA-N 392.484 3.593 0 40 GHAB O=C1CN(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c2ccccc2N1 15717431 SMWCOCVHLLPDNY-NRFANRHFSA-N 398.418 3.740 0 40 GHAB O=C(Nc1ccccc1N1CCCC1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 7717393 VHUHLWGGOVQTER-HNNXBMFYSA-N 383.879 3.932 0 40 GHAB CCc1c(C(=O)Nc2ccccc2OC)nnn1-c1ccc(OC(F)F)cc1 19911283 RLOKKVREVJKGPV-UHFFFAOYSA-N 388.374 3.692 0 40 GHAB COC(=O)[C@@H](Cc1ccc(Cl)cc1)Sc1nc2c3ccccc3ncn2n1 9690951 ZUSKWPMXGLKPPE-MRXNPFEDSA-N 398.875 3.807 0 40 GHAB COc1ccccc1-c1noc(Cn2nnc(-c3ccc(C(C)C)cc3)n2)n1 8133262 HGLMEJZSBPYQFY-UHFFFAOYSA-N 376.420 3.570 0 40 GHAB CCc1cccc(CC)c1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 8479012 SBVRMDBOAJJYJQ-UHFFFAOYSA-N 388.533 3.996 0 40 GHAB O=C(c1cn[nH]c1-c1cccc(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 71768880 SIBMGTLNBGUZRY-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB COC(=O)c1ccsc1NC(=O)C(=O)N[C@H](C)c1csc2ccccc12 72305056 SSBUEQJRHLVTCL-SNVBAGLBSA-N 388.470 3.565 0 40 GHAB O=C(OCc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@@H]1CSCCS1 84367252 PYURAABUKFJOPY-NSHDSACASA-N 390.408 3.647 0 40 GHAB COC(=O)C[C@@H](c1cccnc1)c1oc(CSc2ccccc2)cc(=O)c1O 95476973 GSCPEEUEYAPDFN-KRWDZBQOSA-N 397.452 3.728 0 40 GHAB Cc1cnn(C2CCN(C(=O)NCCc3coc(-c4ccc(F)cc4)n3)CC2)c1 95958723 AURYGQDQCVLALP-UHFFFAOYSA-N 397.454 3.575 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2)ccc1OC 20025215 DSJHYEYCFWNOGT-LBPRGKRZSA-N 396.896 3.737 0 40 GHAB CCCCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 409121050 XXUIFFIHFVINAB-UHFFFAOYSA-N 394.924 3.760 0 40 GHAB CC(C)(O)CN1CCc2c(cccc2NC(=O)c2n[nH]c3ccc(Cl)cc23)C1 504403079 HQMUPWCPJUNBCQ-UHFFFAOYSA-N 398.894 3.598 0 40 GHAB CCOC[C@@H]1CN(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CCO1 529089237 IWBMRFWCAAFKGB-ZDUSSCGKSA-N 381.885 3.733 0 40 GHAB O=C(CCS(=O)(=O)C1CCCC1)NC1(c2cccc(Cl)c2)CCCC1 152489010 ANLLBIDXJNMEEO-UHFFFAOYSA-N 383.941 3.973 0 40 GHAB CCCN1CCN(C(=O)C2CCC2)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 72351700 DEIJMHFNNOIMIE-QFIPXVFZSA-N 391.515 3.541 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)nc2O)cc1 32778606 DMOVGFRWUSHFBR-UHFFFAOYSA-N 380.473 3.900 0 40 GHAB O=C(NCCCn1ccnc1)c1cc2occc2n1Cc1ccccc1Cl 36358277 SWPFSRZOOKPNGL-UHFFFAOYSA-N 382.851 3.953 0 40 GHAB OC1(Cc2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)CCCCC1 558655990 OAEMVWYQHVZLQM-UHFFFAOYSA-N 381.461 3.974 0 40 GHAB O=C(Nc1cccnc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 216467212 LLGANCOCCTYTFO-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1 41157430 LSCUQPWHAKBXLI-HXUWFJFHSA-N 384.476 3.877 0 40 GHAB CCOc1cc(CNC(=S)Nc2ccc(N3CCCC3=O)cc2)ccc1OC 225771162 OAKJQXKOZVWNDD-UHFFFAOYSA-N 399.516 3.707 0 40 GHAB COc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)c1 136690225 YJOPDXUYJOWQAJ-VHKYSDTDSA-N 390.439 3.649 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(-c2ccc(C)cc2)s1 222962777 IVTXDRQRAKEMTM-UHFFFAOYSA-N 395.893 3.976 0 40 GHAB Cc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224513625 HHQQVJNPJNVTLL-FQEVSTJZSA-N 396.531 3.606 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(C)c2)ccc1Cl 223536267 QSWGYDHTXYZZQR-ZDUSSCGKSA-N 381.881 3.783 0 40 GHAB COC(=O)C[C@H](NC(=O)c1cc(C2CC2)nc2onc(C)c12)c1ccc(C)cc1 40024963 WSNDURLWBYRCBI-SFHVURJKSA-N 393.443 3.751 0 40 GHAB Cc1ccccc1CN(C(=O)COc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 222675258 LESTWWPQVLZUHU-SFHVURJKSA-N 382.504 3.706 0 40 GHAB Cc1cc(N2Cc3ccccc3C2)nc(NC(=S)NCc2ccc(C)o2)n1 225916195 FZGYZNKRMASYLO-UHFFFAOYSA-N 379.489 3.693 0 40 GHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 222844991 HPAVQLKLZPAUPI-PMACEKPBSA-N 377.517 3.707 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc2c(c1)OCO2 222653994 CFZPHOGIAVHEDL-QGZVFWFLSA-N 383.444 3.775 0 40 GHAB CCC1(c2ccccc2)CN(C(=O)Nc2nnn(Cc3ccccc3F)c2C)C1 573210900 DUQJMZUQARECTB-UHFFFAOYSA-N 393.466 3.969 0 40 GHAB O=C(O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224716816 PUWJSDZIDGGGDS-UHFFFAOYSA-N 394.663 3.927 0 40 GHAB CCOC(=O)[C@H]1CC(=O)N(c2cc(-c3nc4ccccc4s3)ccc2OC)C1 45887022 PAZSUGJSNHTFCI-AWEZNQCLSA-N 396.468 3.888 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2cc(-c3ccccn3)nc(C)n2)c1 49007103 QQVFQHCOPBGNNW-UHFFFAOYSA-N 396.472 3.595 0 40 GHAB CCc1nnc2sc(-c3cc(I)ccc3Cl)nn12 226293807 IVRBDLAPGULXMY-UHFFFAOYSA-N 390.637 3.673 0 40 GHAB CN(c1cccc(C(=O)Nc2ccccc2F)c1)S(=O)(=O)c1ccccc1 224252757 LTFBUIKLZALHPV-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB CC(C)Nc1nc2c(cc1C(=O)N1CCCC1)CCN(Cc1ccccc1)CC2 96260471 GMJNTWIZZJWBFV-UHFFFAOYSA-N 392.547 3.739 0 40 GHAB CC(C)(C)c1cc(NC(=O)COc2ccccc2)n(-c2cccc(C(=O)O)c2)n1 96184194 QRJMFJMRZILULC-UHFFFAOYSA-N 393.443 3.886 0 40 GHAB O=C(c1cccc(O)n1)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257311923 ULPZIZBPXFEBCD-OAHLLOKOSA-N 381.407 3.525 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 257270372 MTYIVPNHWWINFO-IRLDBZIGSA-N 380.488 3.620 0 40 GHAB COC(=O)C[C@H](c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O)C(C)C 253409185 LNFHQFAEBSFTPR-SFHVURJKSA-N 396.487 3.889 0 40 GHAB biogenic Cc1noc(C)c1CC(=O)NC[C@H]1CC[C@H](c2n[nH]cc2-c2ccncc2)CC1 257263522 LQHTXCXPDHLXRP-SAABIXHNSA-N 393.491 3.709 0 40 GHAB COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)cc1 96119043 NNIFBVKFWGZOIU-OAHLLOKOSA-N 397.456 3.605 0 40 GHAB Cc1ccc(N2CCC[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)nn1 585235180 SGUKRIQLXWSURO-ZDUSSCGKSA-N 380.370 3.539 0 40 GHAB CCc1ccc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)s1 1615159098 SXCRBSQZBXLOPT-JOCHJYFZSA-N 398.528 3.739 0 40 GHAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(C)cc3)=NN12 5094002 BPKHEIISCWJONV-NRFANRHFSA-N 375.472 3.877 0 40 GHAB C[C@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)NC(N)=O 5255642 IWESQIXRNVHWJF-QMMMGPOBSA-N 378.504 3.542 0 40 GHAB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc(C)c3)o2)c1 5435509 KYANFPBKMFGVSR-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 12293693 GOXDKFVCTRRDGZ-FGZHOGPDSA-N 397.515 3.778 0 40 GHAB Cn1c(-c2ccccc2)c(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c2ccccc21 12623760 AQUHJRHNDBDAEH-QZTJIDSGSA-N 398.462 3.979 0 40 GHAB O=C(Nc1cccc(NS(=O)(=O)c2ccccc2Cl)c1)c1ccco1 12631524 LTQMGHJAIAHQIA-UHFFFAOYSA-N 376.821 3.986 0 40 GHAB CCn1c2cc(C)sc2c2cnn(CC(=O)N3[C@@H](C)CCC[C@H]3C)c(=O)c21 12156858 CUIYMLLAZJNZNW-BETUJISGSA-N 386.521 3.531 0 40 GHAB Cc1ccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1C 14398487 VDAFRBFCJYPTOH-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB Cc1cccc(C2(CNC(=O)[C@H](C(C)C)n3nc(C)cc3C)CCOCC2)c1 19234526 HHLUOLOEUYXLBP-NRFANRHFSA-N 383.536 3.870 0 40 GHAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(F)F)nc(C2CC2)n1 19592083 PORYOGBZMZKNPU-OAHLLOKOSA-N 385.418 3.542 0 40 GHAB CN(C)Cc1cc([C@@H]2CCCCN2C(=O)CCCc2ccc(F)cc2)nn1C 19709172 PJFWTXPPGDVTCW-NRFANRHFSA-N 386.515 3.697 0 40 GHAB Cn1c(-c2ccccc2)cnc1NC(=O)CC1CCN(Cc2ccccn2)CC1 19748606 KGXCRKFVGNQPRG-UHFFFAOYSA-N 389.503 3.723 0 40 GHAB COC(=O)c1c(C)nc2ccn(-c3ccncc3)c(=O)c2c1-c1ccc(F)cc1 19819238 VITUEQWYFJDJRL-UHFFFAOYSA-N 389.386 3.682 0 40 GHAB CCc1nn2c(ncc3c(=O)n(-c4ccncc4)ccc32)c1-c1ccc(F)cc1 19821383 IXZBRPHDQWPDHG-UHFFFAOYSA-N 385.402 3.797 0 40 GHAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(F)cc4)c3)nn12 10010212 IKAUYRMVTQDXMV-UHFFFAOYSA-N 397.435 3.815 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 6233963 DCQXTVGJLIDDQM-LLVKDONJSA-N 387.288 3.607 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(Cc4[nH]cnc4C)C3)cc2n1 12221277 ZUELEJNLUZGBNR-CYBMUJFWSA-N 392.429 3.722 0 40 GHAB C[C@H]1C[C@H]1C(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccccn2)cc1 12221994 PDKFGSBDDQLORA-MAUKXSAKSA-N 387.487 3.544 0 40 GHAB CCOc1cc2c(cc1CNCc1ccccc1CN1CCOCC1)O[C@H](C)C2 23762474 OGHAIGPOJXQVHC-GOSISDBHSA-N 396.531 3.531 0 40 GHAB Cc1noc(C2(NC(=O)CCCc3ccc(Cl)c(Cl)c3)CCOCC2)n1 585140193 RLHNGMIZZMSKFF-UHFFFAOYSA-N 398.290 3.830 0 40 GHAB Cc1sc2nc(CSCC(=O)Nc3c(F)cccc3F)[nH]c(=O)c2c1C 4485489 FLFPPOPQLXMDGP-UHFFFAOYSA-N 395.456 3.752 0 40 GHAB Cc1ccccc1-c1noc(COC(=O)C[C@H]2Sc3ccccc3NC2=O)n1 5289124 ZHPDZZPNCLFFSG-MRXNPFEDSA-N 395.440 3.591 0 40 GHAB CCOC(=O)[C@@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 2720649 UKUSQFLKBFSKRO-CYBMUJFWSA-N 393.468 3.911 0 40 GHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 5241311 KXSZCCRXDOTRMR-UHFFFAOYSA-N 398.509 3.955 0 40 GHAB O=C(NCc1cccc2ccccc12)NC[C@H]1CN(c2ccccc2)C(=O)O1 8839156 RWCQAHFSJPGVNS-IBGZPJMESA-N 375.428 3.664 0 40 GHAB Cc1nc(C(=O)N2CC[C@@]3(COc4ccc(-c5cccnc5)cc43)C2)cs1 2055785148 NRUZQPSTXOTPTL-NRFANRHFSA-N 377.469 3.690 0 40 GHAB Cc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccc(Cl)cc1 21535894 WJCKCRRNVUNSQS-UHFFFAOYSA-N 381.779 3.675 0 40 GHAB CC(C)CCNC(=O)c1ccc2c(O)nc3c(-c4ccccc4F)nnn3c2c1 21867401 RNRSANQVTDRBSD-UHFFFAOYSA-N 393.422 3.565 0 40 GHAB O=C(c1ccc(Cl)s1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 211105182 ZXBIPFCUGQPWPY-ZDUSSCGKSA-N 387.885 3.619 0 40 GHAB Cc1nn(CCNS(=O)(=O)/C=C/c2ccccc2)c(C)c1-c1cccs1 575613038 TVKFWXFOMIFDOU-GXDHUFHOSA-N 387.530 3.819 0 40 GHAB CN(C)CCCNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl 10312785 NVGMFXDMLUPRKM-UHFFFAOYSA-N 394.302 3.927 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCCC4=O)cc3)on2)cc1 40088107 CCLGPTDNQKRTBM-UHFFFAOYSA-N 375.428 3.707 0 40 GHAB Cc1nc(C2(NC(=O)c3cnn(Cc4ccccc4Cl)c3)CCCCC2)no1 40040092 YCZYSWWJLHYKKG-UHFFFAOYSA-N 399.882 3.866 0 40 GHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)n[nH]2)s1 40154855 OJWQNECZNKXEMO-BETUJISGSA-N 397.504 3.708 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)NCCC2CCCC2)cc1 31164548 JHNLGXXWKUXKCV-MRXNPFEDSA-N 395.569 3.658 0 40 GHAB C[C@H]1CCc2c(sc3ncn(C[C@@H](O)c4ccc(F)c(F)c4)c(=O)c23)C1 51289820 OJJGKRZRJXTIQP-ZUZCIYMTSA-N 376.428 3.595 0 40 GHAB COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccccc2)CC(O)=N3)cc1OC 20739649 FGMOIICLUISMSB-INIZCTEOSA-N 392.415 3.739 0 40 GHAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1nc(CN2CCOCC2)cs1 21128472 ISKQSNMFRMFXBC-UHFFFAOYSA-N 397.500 3.807 0 40 GHAB C[C@@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc2ccccc2[nH]1 32744690 HPAXYMSHEJHJIO-GFCCVEGCSA-N 382.851 3.834 0 40 GHAB O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C(=O)C(F)(F)F)C1CCCC1 1365716 QUIQJXHHJIRTCV-KRWDZBQOSA-N 397.441 3.905 0 40 GHAB Nc1nc2c(c(-c3nc(N)nc4c3CCc3ccccc3-4)n1)CCc1ccccc1-2 1588457 ZKPFWZGBDZAIRJ-UHFFFAOYSA-N 392.466 3.629 0 40 GHAB Cc1ccc2c(Cl)cc(Cl)c(OCn3nnc4ccccc4c3=O)c2n1 2622370 UPXKZJUDKPRYNC-UHFFFAOYSA-N 387.226 3.991 0 40 GHAB CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OCC)cc1 2649841 HRESORBSEIMNOS-UHFFFAOYSA-N 396.516 3.951 0 40 GHAB Nc1ccc(C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 3259843 FVYZMKNLOHLVOV-UHFFFAOYSA-N 388.467 3.697 0 40 GHAB Nn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1C1CC1 3294412 ADNWIBSOIURYIW-UHFFFAOYSA-N 392.699 3.560 0 40 GHAB CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccccc1 3501519 FMJQRKOVXUFZLE-UHFFFAOYSA-N 378.501 3.642 0 40 GHAB COc1cc2ccccc2cc1C(=O)N1CCN(c2ccccc2OC)CC1 3612209 LXUWYXYUCPAFAU-UHFFFAOYSA-N 376.456 3.819 0 40 GHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCc1ccccn1 4000384 UDVBEJLZYOEXNX-UHFFFAOYSA-N 386.407 3.550 0 40 GHAB biogenic COc1ccc(Cl)cc1C(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O 4032941 SZFQEZBFDSAWGU-UHFFFAOYSA-N 384.863 3.779 0 40 GHAB COc1cccc(-c2ccc(SCC(=O)N3CCc4ccccc43)nn2)c1 4356518 DHFJKYIYFMKUTC-UHFFFAOYSA-N 377.469 3.834 0 40 GHAB CC(C)CCOC(=O)c1ccc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 4539897 KEDRVOABKAKYGY-QHCPKHFHSA-N 395.455 4.000 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCCOc2ccc(Br)cc2)c1C 4548234 LIRWMNZOUJHZRD-UHFFFAOYSA-N 380.238 3.832 0 40 GHAB COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)c1cccc(C)c1 4732597 KPZVTWNJACGVNM-UHFFFAOYSA-N 399.454 3.958 0 40 GHAB CCOc1ccc(S(=O)(=O)Oc2ccccc2NC(C)=O)c2ccccc12 4749137 QSZBXRJZYXRNQL-UHFFFAOYSA-N 385.441 3.965 0 40 GHAB COCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(C)cc1 4816675 VEPDYZRKCHNILC-OALUTQOASA-N 396.878 3.954 0 40 GHAB COc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(C(C)=O)cc3)nc2c1 5121508 OOODSKOFJGOJAP-UHFFFAOYSA-N 397.500 3.716 0 40 GHAB O=C(CSc1ncnc2sc3c(c12)CCC3)N1CCc2ccccc2C1 5212776 DICPGQQVEIQPOH-UHFFFAOYSA-N 381.526 3.857 0 40 GHAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCc1cccc(Cl)c1 5255111 MLQAUYGSPKFYIV-UHFFFAOYSA-N 398.846 3.950 0 40 GHAB O=C([C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1)N1CCCCC1 5455580 TVTVPFJCVNLHAO-SFHVURJKSA-N 379.489 3.508 0 40 GHAB COc1cccc(OC)c1C(=O)O[C@@H](C(=O)N1CCCCC1)c1ccccc1 5464788 MXWHRGGOKIAAOP-HXUWFJFHSA-N 383.444 3.614 0 40 GHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)COc1ccc(Cl)cc1 5510165 MTJYIRGJFIKHEW-UHFFFAOYSA-N 390.867 3.605 0 40 GHAB O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 5874347 BVPQABZIFHOYIW-OAQYLSRUSA-N 392.480 3.532 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)O 5984805 NOHJPRJHIPDDHW-WVDJIFEKSA-N 399.443 3.622 0 40 GHAB biogenic O=C(Nc1ccc(F)c(F)c1)C1CCC(Cn2nnc3ccccc3c2=O)CC1 6658972 QHVPEUCGDRKVNQ-UHFFFAOYSA-N 398.413 3.515 0 40 GHAB O=C(COc1ncnc2ccc(Br)cc12)Nc1ccc2c(c1)CCC2 6787407 WLRFBLHHHOBVRY-UHFFFAOYSA-N 398.260 3.899 0 40 GHAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)c(OC)c1 6806974 ZYKMFFWYCHKMBC-UHFFFAOYSA-N 388.427 3.933 0 40 GHAB Cc1cccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1C 6942808 AUIVXBPSKRQXQJ-UHFFFAOYSA-N 375.354 3.614 0 40 GHAB COc1cc(C(=O)OCc2nc(-c3cccs3)no2)ccc1OC(F)F 7045802 JDYLQOYINNDVSY-UHFFFAOYSA-N 382.344 3.765 0 40 GHAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@H]1c1ccc(F)cc1F 7257662 XUNKIBQJEURMFL-KRWDZBQOSA-N 392.402 3.987 0 40 GHAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1ccc(Cl)c(Cl)c1 7267394 HXDVGYOFYFPPLD-NSHDSACASA-N 380.275 3.551 0 40 GHAB CCCn1nnnc1COC(=O)c1sc(-c2cccc(Cl)c2)nc1C 7310914 VWLPNJVTMKNYAU-UHFFFAOYSA-N 377.857 3.525 0 40 GHAB Cc1cc(NC(=O)c2ccc(N3CCOCC3)cc2)ccc1Br 7504597 BKJZWKHERKFZHT-UHFFFAOYSA-N 375.266 3.846 0 40 GHAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(F)cc1 7939696 LLRIVLCHYHZOJK-UHFFFAOYSA-N 392.814 3.688 0 40 GHAB COc1cc(SC)ccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 7989403 UEAKCVLKOICFCD-UHFFFAOYSA-N 376.503 3.709 0 40 GHAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)[C@H]1COc2ccccc2O1 8134494 FMJBAJYTFFPCEM-MRXNPFEDSA-N 395.415 3.980 0 40 GHAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(C(=O)NC2CC2)c1 8230733 XGMQFBAZCPNJMF-UHFFFAOYSA-N 377.469 3.884 0 40 GHAB Brc1cc2c(cc1CSc1nnnn1C1CCCC1)OCO2 8314757 PDOMJQONJVZUDS-UHFFFAOYSA-N 383.271 3.572 0 40 GHAB CCCCCCOc1ccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1OC 8982511 BBSVUKOJGBIPRH-HXUWFJFHSA-N 384.476 3.611 0 40 GHAB Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)CC(=O)N2 9059058 WAWIRBHQBMOFNB-KRWDZBQOSA-N 395.846 3.785 0 40 GHAB O=C(NCCCn1cnc2ccccc21)c1cc(C2CC2)nn1-c1ccccc1 9468292 KKGHAFHSHOUMTL-UHFFFAOYSA-N 385.471 3.920 0 40 GHAB CC(C)(C)SCCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 10009715 LMLPRYJLHLLMMC-UHFFFAOYSA-N 398.575 3.810 0 40 GHAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c1 10338854 RNBRVLPBQZFFJH-CQSZACIVSA-N 380.897 3.750 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@@H]2C)c1 10694187 LDHNGGZDOPZLSS-AWEZNQCLSA-N 392.546 3.538 0 40 GHAB O=C(NC1CCN(C2CC2)CC1)c1cn(-c2ccccc2)nc1-c1cccs1 11527229 ZPINTVAKLHCFLV-UHFFFAOYSA-N 392.528 3.957 0 40 GHAB CCN1CCN(c2ccc(NCc3cc4c(C)ccc(C)c4[nH]c3=O)cc2)CC1 12088339 AQKBAMVDGKLNHC-UHFFFAOYSA-N 390.531 3.899 0 40 GHAB CN(C)c1ccc(C(=O)N2CCC[C@H](c3ncncc3-c3ccncc3)C2)cc1 12118524 HLFREADJYCBTEN-IBGZPJMESA-N 387.487 3.624 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cn(C)c3ccccc23)ccc1C 12632493 JREVKGDLZOHWKQ-UHFFFAOYSA-N 399.516 3.770 0 40 GHAB O[C@@H](COc1ccc(Cl)cc1)Cn1cc[n+](Cc2ccccc2Cl)c1 12848705 RGOBSRXVPXZUCA-QGZVFWFLSA-N 378.279 3.571 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12883790 ROQJFGHVHFLURF-UHFFFAOYSA-N 379.435 3.897 0 40 GHAB COc1cc(Cl)ccc1NC(=O)CSc1nc2c3ccccc3ncn2n1 12981327 ODBWUMNZMFZSAM-UHFFFAOYSA-N 399.863 3.670 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN1CCN(c2ccccc2Cl)CC1 13059105 DIKYCAFTMBHMKU-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB Cc1ccccc1-c1noc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1 13495315 NPYFIMVOLUWZHY-LBPRGKRZSA-N 377.853 3.738 0 40 GHAB Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)N1CCCCC1 13675444 HYMZQBAICDYZIP-QGZVFWFLSA-N 398.528 3.761 0 40 GHAB COc1ccc(NC(C)=O)cc1N[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 13682860 QTZBKWIBVKIBSM-SNVBAGLBSA-N 386.477 3.742 0 40 GHAB CC[C@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1ccccc1)S(C)(=O)=O 13711241 XXCRDRYZFWZKCQ-MRXNPFEDSA-N 396.896 3.532 0 40 GHAB O=C(c1cc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)c[nH]1)N1CCCC1 15453799 IVZHVHHJPBZERO-UHFFFAOYSA-N 396.472 3.889 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)Oc3ccc4oc5c(c4c3)CCCC5)cnc12 16259684 LJTALPDRSKDKFX-UHFFFAOYSA-N 388.423 3.936 0 40 GHAB O=C1O[C@@H](c2c(O)[nH]c(=S)n(-c3ccc(Cl)cc3)c2=O)c2ccccc21 16524553 LLXRRTYZJGQISN-CQSZACIVSA-N 386.816 3.514 0 40 GHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1nccs1 16641480 QYHLYZSGNFKDTK-UHFFFAOYSA-N 394.378 3.786 0 40 GHAB Cc1ccc2c(CC(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)coc2c1C 17795897 CANHEPKAWIFNCN-NRFANRHFSA-N 392.499 3.609 0 40 GHAB O=C(Nc1ccccc1OC[C@@H]1CCCCO1)[C@H]1CCCN(c2ccccn2)C1 19349961 JBTWYULLUMZOFM-OALUTQOASA-N 395.503 3.885 0 40 GHAB CCCc1cc2c(cc1NC(=O)COc1ccccc1-c1nc(C)no1)OCO2 19525466 WOADNYQDTFHYML-UHFFFAOYSA-N 395.415 3.744 0 40 GHAB CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)c1ccccn1 19712940 XEXNUSFDCPSKDH-MZYLBHOOSA-N 391.515 3.699 0 40 GHAB CC(C)n1c(CCCNC(=O)c2ccc3c(c2)ncn3C)nc2ccccc21 19718653 MJFPEDUGCJFUEQ-UHFFFAOYSA-N 375.476 3.867 0 40 GHAB CCSc1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 20456699 LJMSJJLNPGONLZ-OAHLLOKOSA-N 392.546 3.900 0 40 GHAB CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(OC)cc2)c2ccccc21 20723320 SFVFOOVNAIJQSK-QFIPXVFZSA-N 388.427 3.525 0 40 GHAB Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cc(C(C)(C)C)ccc2O)no1 21006615 GVPHYBLOPZABMQ-LBPRGKRZSA-N 391.493 3.685 0 40 GHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2cncn2-c2ccc(F)cc2)cc1 21510183 MIYQYPQYSOWDRB-AWEZNQCLSA-N 382.391 3.838 0 40 GHAB CN1CCN(Cc2ccc(C(=O)c3ccc(Br)cc3F)cc2)CC1 22027938 NDMNMRSPCRGNHJ-UHFFFAOYSA-N 391.284 3.567 0 40 GHAB Cc1nc(Sc2ncnc3sc4c(c23)CC[C@@H](C)C4)sc1CC(N)=O 22095094 YVWIAHXWDZHKFT-MRVPVSSYSA-N 390.559 3.760 0 40 GHAB O=C(CN1CCN(Cc2ccsc2)CC1)Nc1c(Cl)cccc1Cl 22805308 DQURZVCIEAKMER-UHFFFAOYSA-N 384.332 3.811 0 40 GHAB COc1ccc(C(C)(C)C)cc1CN(CCN1CCOCC1)Cc1cccnc1 22931518 CKNZUGLBOGPNPT-UHFFFAOYSA-N 397.563 3.722 0 40 GHAB CC(=O)Nc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1F 23053505 WEXZAMLXNCRJKI-UHFFFAOYSA-N 376.331 3.604 0 40 GHAB O=C(c1ccc(Br)o1)N1CCN(Cc2ccc(Cl)s2)CC1 23718696 HNGRYEFNEXQYSU-UHFFFAOYSA-N 389.702 3.715 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(NS(C)(=O)=O)c1 23983583 WHBOOFVSYWRMOU-UHFFFAOYSA-N 376.478 3.617 0 40 GHAB C[C@@H](OC(=O)C1(Cc2nc3ccccc3s2)CCCC1)C(=O)N1CCCC1 24511736 YKYIHDPWUXTDKJ-OAHLLOKOSA-N 386.517 3.953 0 40 GHAB COC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)s1 27808619 RSPAWSKOGUMUER-CQSZACIVSA-N 375.446 3.529 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(Cl)c2)N2CCCC2)cc1 27994263 QSIUZQBXFQSALZ-LJQANCHMSA-N 388.895 3.924 0 40 GHAB biogenic COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)c1 28221158 KNRYVRNEPCLHMQ-OAHLLOKOSA-N 386.473 3.534 0 40 GHAB Cc1ccc(CNC(=O)c2nnc(CN3CCC[C@H](C(F)(F)F)C3)s2)cc1 29937617 ABEATYGIGAZEQP-AWEZNQCLSA-N 398.454 3.551 0 40 GHAB COc1ccc(/C=C\C(=O)OCCOC(=O)/C=C\c2ccc(OC)cc2)cc1 31623663 IMOSGDDWXALCOH-PVRNWPCDSA-N 382.412 3.517 0 40 GHAB CCc1c(C)sc2nc(N[C@H](CC)CO)n3nc(Cc4ccccc4)nc3c12 32096821 BAXNYWSAXYLJFX-OAHLLOKOSA-N 395.532 3.983 0 40 GHAB CCN(CC)C(=O)c1ccc(N/C=C2/C(=O)NC(=O)c3ccccc32)cc1Cl 32584776 BCSNUOUUKKHZIA-SFQUDFHCSA-N 397.862 3.545 0 40 GHAB CCn1ncc(-c2cc(C(F)F)nc(N(C)Cc3c(C)nn(C)c3C)n2)c1C 36613944 RGAVCQKROSWPKQ-UHFFFAOYSA-N 389.454 3.593 0 40 GHAB COc1cccc(C(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)c1OC 40106706 QUSIQBVLUJHPJV-UHFFFAOYSA-N 390.439 3.886 0 40 GHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc2c(O)[nH]c(=S)nc2c1 40108606 ZHENCSTVNNMRJN-UHFFFAOYSA-N 393.390 3.989 0 40 GHAB CCCCN(C)C(=O)Cn1c(CNC(=O)c2ccccc2C)nc2ccccc21 40276134 BKZUVPQWWKBSDA-UHFFFAOYSA-N 392.503 3.533 0 40 GHAB CCc1ccc(OCC(=O)Nc2nn3c(-c4cccc(C)c4)nnc3s2)cc1 41076448 WOHHKEJDWKMVMR-UHFFFAOYSA-N 393.472 3.741 0 40 GHAB CC(C)[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NC[C@H]1CCCO1 43052070 XNGPUYNTHNTSRV-NVXWUHKLSA-N 378.469 3.893 0 40 GHAB COc1ccc(CNc2nc(Nc3ccc(OC)cc3)c3cn[nH]c3n2)cc1 44928594 JDEFYHIVSFPGIB-UHFFFAOYSA-N 376.420 3.726 0 40 GHAB Cc1nccn1Cc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 44932853 IIGGAKSIKVRAHF-UHFFFAOYSA-N 385.471 3.664 0 40 GHAB Cc1ncsc1C(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 51099784 WTRCPOSMKSNQLG-UHFFFAOYSA-N 383.439 3.865 0 40 GHAB O=C(C1CC1)N1CCC[C@@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 57740337 IZMDDQSMMRBNPC-LJQANCHMSA-N 391.519 3.645 0 40 GHAB CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(-n2ccnc2)c1 58185033 CDWQHHNHTBUBFN-UHFFFAOYSA-N 376.338 3.937 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1NS(C)(=O)=O 58406513 FLUKAIOVTPBDAN-HUUCEWRRSA-N 378.881 3.762 0 40 GHAB Cc1noc([C@@H](C)NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)n1 58421725 GLTZAOHIUMRXFG-KUHUBIRLSA-N 375.432 3.563 0 40 GHAB COc1cccc(N2C(=O)c3c(-c4ccco4)nn(-c4ccccc4)c3C2=O)c1 58899398 CJGMZPHIJTZILP-UHFFFAOYSA-N 385.379 3.942 0 40 GHAB COc1ccccc1C(=O)NC(=S)Nc1c(Cl)cc(C(=O)O)cc1Cl 59843157 KTSSFCMDYCQCPM-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB Cc1ccc(OC[C@H](C)NC(=O)COc2ccc(Br)cc2)cc1 60138724 HODDGLPBDXVSNY-AWEZNQCLSA-N 378.266 3.720 0 40 GHAB O=C(c1cc2c(cc1O)CCCC2)N1CCC(C(=O)N2CCCCCC2)CC1 65617126 BQWHSWSERIWBNE-UHFFFAOYSA-N 384.520 3.526 0 40 GHAB Cc1nnnn1-c1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 71279591 MUERLCUHCIBPBU-UHFFFAOYSA-N 397.482 3.923 0 40 GHAB CCc1nc2cccnc2n1[C@H]1CCN(C(=O)c2cc3c(OC)cccc3[nH]2)C1 72366025 VQBYJHANKOYNNX-AWEZNQCLSA-N 389.459 3.571 0 40 GHAB COc1ncccc1CSc1nnc(-c2ccc(Cl)cc2Cl)n1N 83915379 ZYDPQGCKGKDFBU-UHFFFAOYSA-N 382.276 3.662 0 40 GHAB Cc1oc(-c2cccs2)nc1C(=O)N1c2ccccc2[C@H](C(N)=O)C[C@H]1C 84052906 XDJHCRUJFLIELE-BXUZGUMPSA-N 381.457 3.719 0 40 GHAB COc1ccccc1NC(=O)N1CC(Oc2nc3c(OC)cccc3s2)C1 90594314 SIMHEQLWABPIIW-UHFFFAOYSA-N 385.445 3.609 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100402594 WSGPHFMFXHCQGE-QINHECLXSA-N 384.501 3.714 0 40 GHAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2cnn(Cc3cccc4ccccc34)c2)[C@H]2C=C[C@H]1C2 102023306 WBIAQXPKFLTJSW-LRGYGIHKSA-N 387.439 3.546 0 40 GHAB COC(=O)c1cccc(N[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 102295867 BWEFOYDTLPGRML-HNNXBMFYSA-N 393.226 3.524 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 105117897 UVUZUUSVNRUEJB-CAMMJAKZSA-N 392.565 3.721 0 40 GHAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1c(F)cccc1Cl 207998444 HSOZATLOPHAPAM-CYBMUJFWSA-N 387.798 3.768 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 222478294 VXWYGUMLILJMNO-GOSISDBHSA-N 384.545 3.782 0 40 GHAB Cc1ccccc1CN(C(=O)COc1ccccc1C)[C@@H](C)C(=O)NCC(C)C 224111356 OGZPSLJYEJERCE-FQEVSTJZSA-N 396.531 3.872 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1 225012579 GSIMVTFTNZQOMI-RBUKOAKNSA-N 382.504 3.706 0 40 GHAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1cc(Br)cs1 225623192 DAVLEBWWRYSXOA-OAHLLOKOSA-N 381.295 3.803 0 40 GHAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 225692209 PHVCFGBUHADQQQ-NRFANRHFSA-N 376.497 3.612 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1 225800453 RYOYOHQGUPYOGT-UHFFFAOYSA-N 383.379 3.624 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)NCCCN1CCc2ccccc2C1 225814429 VACAQUAGBDFNGF-UHFFFAOYSA-N 392.421 3.649 0 40 GHAB CCOC(=O)Cc1ccc(NC(=O)c2sc(-c3cccnc3)nc2C)cc1 225859347 CWQYTXBLQDDMDX-UHFFFAOYSA-N 381.457 3.871 0 40 GHAB CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(CC[C@H](C)c1ccccc1)C2 247954370 RZJOEOAPSTZYRM-HTAPYJJXSA-N 378.520 3.712 0 40 GHAB COCCNC(=O)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 257198033 QVBKSZWCWAVYPS-UHFFFAOYSA-N 389.442 3.734 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cccc(F)c2)CC1 257208923 BOBRELJYPCYMIB-FIKGOQFSSA-N 383.467 3.634 0 40 GHAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(N3CCCCC3)cc2)O[C@@H]2CCC[C@@H]12 257262452 LLKZYKBBYOTUCD-DXBBTUNJSA-N 386.536 3.828 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)c3cscn3)CC2)ncn1 257268565 MMGCWZWUBQXBIS-HNNXBMFYSA-N 397.504 3.690 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)NC(=O)c2cccc(-n3cccc3)c2)cc1 257281239 OOGKFWUPLFENGV-UHFFFAOYSA-N 382.485 3.894 0 40 GHAB CCCN(CC)C(=O)c1nc([C@H]2CCCN2Cc2ccccn2)n2ccccc12 306124710 BXHJIOYNRKIQQR-HXUWFJFHSA-N 391.519 3.939 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(Cl)cc2)cc1 409097255 NHDVXQNTEKIGOB-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB C[C@H](NC(=O)NC[C@@H]1CCN1C1CCCCC1)c1ccc(N2CCCC2=O)cc1 527699426 HDIWSXDQLOFJTD-UWJYYQICSA-N 398.551 3.581 0 40 GHAB CC(C)CS(=O)(=O)[C@H]1CCCN(C(=O)Cc2ccc(SC(C)C)cc2)C1 585146918 MXJGTXFUOLSZTJ-IBGZPJMESA-N 397.606 3.791 0 40 GHAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2C(=O)Cc1c(C)[nH]c2ccc(F)cc12 585261354 KRAAYLVTJVAEBE-RTWAWAEBSA-N 385.483 3.550 0 40 GHAB Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccnn3C)cs2)cc1 585295321 UWVRXQUJEIPPEI-GOSISDBHSA-N 381.505 3.774 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)N2CCCC3(CC2)CC3)c(OC)c1 626518218 ANDKRDPRSVZQAJ-UHFFFAOYSA-N 384.480 3.747 0 40 GHAB CC1(C)Oc2c(C(=O)c3ccccc3)c(O)cc3c2[C@H]2[C@H](O3)[C@@](C)(O)CC[C@H]21 1534685662 NYTKAZDWAQTEPR-RQVSRIPISA-N 380.440 3.800 0 40 GHAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)N1CCCc2ccccc21 1565524233 BXRNTLYAJRINDD-UHFFFAOYSA-N 390.483 3.561 0 40 GHAB COc1cc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cc(OC)c1 1775975640 LLUXTZORMYEXJQ-UHFFFAOYSA-N 397.397 3.556 0 40 GHAB Brc1cnc2nc3c(cc2c1)CN(c1ccnc(C2CC2)n1)CC3 2298082518 SUVCUMZISDCHEP-UHFFFAOYSA-N 382.265 3.622 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2)no1 945100 MLAFPPOVWZBCJQ-UHFFFAOYSA-N 397.865 3.751 0 40 GHAB Cc1cc(C)n2cc(COc3ccc(I)cc3)nc2n1 950153 TTZCFHUYCBVUDT-UHFFFAOYSA-N 379.201 3.530 0 40 GHAB O=S(=O)(Cc1cc(N2CCCCC2)nc(-c2ccncc2)n1)c1ccccc1 1383075 POPQGZYVCZITHH-UHFFFAOYSA-N 394.500 3.503 0 40 GHAB COC(=O)C[C@@H]1c2cc(OC)c3cccc(OC)c3c2CC[C@@]1(C)C(=O)OC 1596024 RIUTZYSUTYGRHE-OPAMFIHVSA-N 386.444 3.629 0 40 GHAB COc1ccc(CNC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1 2619833 RWYOTRXXQCCGJX-UHFFFAOYSA-N 392.242 3.640 0 40 GHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)c2ccc(C)cc2)cc1 3270766 JCMVRFCZPLZINR-PKOBYXMFSA-N 380.473 3.546 0 40 GHAB Cc1ccc(NC(=O)NC(=O)CSc2nc(-c3ccccc3)n[nH]2)c(C)c1 3552635 LBCMNIAQMVFAOX-UHFFFAOYSA-N 381.461 3.529 0 40 GHAB COc1cc(C(=O)Nc2nnc(-c3cccc(C)c3)s2)cc(OC)c1OC 4072094 IXOLCOZHWPUSEG-UHFFFAOYSA-N 385.445 3.792 0 40 GHAB COc1ccc2c(C)c(CC(=O)NCc3ccc(Cl)cc3)c(=O)oc2c1C 4540661 MRPJUIZGEUNDFD-UHFFFAOYSA-N 385.847 3.931 0 40 GHAB COc1cc(OC)c(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)cc1Cl 4568438 FSAJWBFZGLROBE-UHFFFAOYSA-N 395.683 3.542 0 40 GHAB Cc1ccc(Cl)c(OCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c1 4580534 IYHLSORQZRNEFB-SFHVURJKSA-N 387.863 3.764 0 40 GHAB COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(Cl)cc2)=C(C)Nc2ncnn21 4705321 AKCFSIFVMXSYDH-GOSISDBHSA-N 395.850 3.868 0 40 GHAB O=C(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 4732577 XMHRXIVCEREUPE-UHFFFAOYSA-N 376.434 3.940 0 40 GHAB O=C1C[C@H](N2CCC(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 4785296 FKRXTCYYAAVNDG-IBGZPJMESA-N 386.854 3.991 0 40 GHAB COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)O)c1 4860082 XXYLWDGZILYUBF-LJQANCHMSA-N 396.443 3.555 0 40 GHAB CCOc1ccc(CC(=O)N(c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 5071155 GSDXULCKOXHWIH-HXUWFJFHSA-N 399.512 3.589 0 40 GHAB Oc1cccc(-c2csc(N3N=C(c4ccco4)C[C@]3(O)C(F)(F)F)n2)c1 5243406 AQOIVXZTUIHKTN-INIZCTEOSA-N 395.362 3.974 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1 5998233 FFBSHMHPCTYEIU-BXUZGUMPSA-N 394.928 3.921 0 40 GHAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(Cc1ccco1)C1=CCCCC1)C2=O 6087397 CHRILGNGKDRISR-ZHRRBRCNSA-N 399.491 3.567 0 40 GHAB CCCn1nc(C(=O)Nc2nc3ccc(C)cc3s2)c2ccccc2c1=O 6432091 CJWZSZKUVXAKPW-UHFFFAOYSA-N 378.457 3.977 0 40 GHAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1cccc(C(F)(F)F)c1 6589731 CPTNAQNOWBWAFZ-MRXNPFEDSA-N 379.378 3.936 0 40 GHAB O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2ccccc21)c1ccccc1 6759221 JLRURICLZXYFGI-UHFFFAOYSA-N 390.826 3.689 0 40 GHAB COc1ccccc1N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 6911405 RYVMDWIUCIOOPZ-UHFFFAOYSA-N 377.488 3.848 0 40 GHAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1cn2c(C)cccc2n1 6972672 GYNDLMRBVMHZJX-UHFFFAOYSA-N 378.384 3.923 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)cc1 7217256 YWAXTTGDUNCVEI-UHFFFAOYSA-N 390.486 3.691 0 40 GHAB CCCc1nnc(S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)O)[nH]1 7342317 LZWXKGYTVUQRKZ-PTNGSMBKSA-N 399.432 3.674 0 40 GHAB C[C@@H]1CCc2ccccc2N1Cc1cc(=O)n2cc(Br)ccc2n1 7494490 UOGCKLFGMAFDHU-CYBMUJFWSA-N 384.277 3.798 0 40 GHAB O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)Nc1ccc(F)cc1F 7616026 ZWQBWQXCNDYXPI-UHFFFAOYSA-N 391.377 3.980 0 40 GHAB CCOc1ccc(CN(C)CC(=O)Nc2ccc(Cl)cc2F)cc1OC 7686426 WYOZBSZVFFHCOL-UHFFFAOYSA-N 380.847 3.957 0 40 GHAB CCNC(=O)N(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C1CCCCC1 7781929 BGQZWBNCNDYMGH-UHFFFAOYSA-N 388.468 3.618 0 40 GHAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1C 8291584 PBZWQPIJTFBJFK-UHFFFAOYSA-N 382.485 3.764 0 40 GHAB O=C1O[C@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)Cc2ccccc21 8328810 AEPJABDNIMUIKS-SFHVURJKSA-N 392.480 3.784 0 40 GHAB Cc1ccc(NC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1Cl 8395142 ZQDYIPFZGLBZLC-UHFFFAOYSA-N 396.881 3.550 0 40 GHAB O=C(O)/C=C\C(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 8434620 LWODTSDKZHGUFV-KTKRTIGZSA-N 378.306 3.537 0 40 GHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2sccc2C)cc1 8609835 WSOMFEKAEJIDQD-MRXNPFEDSA-N 381.461 3.584 0 40 GHAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccccc1Oc1ccccc1 9113840 KJGTWCYQTXVHFB-UHFFFAOYSA-N 396.468 3.786 0 40 GHAB COCc1c(C(=O)Nc2cccc(-c3nnnn3C)c2)sc2cccc(F)c12 10091913 QAIKHSMTKJYBAY-UHFFFAOYSA-N 397.435 3.630 0 40 GHAB CCC[C@H](C)NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10337340 QBIKILNJMVGFJJ-HNNXBMFYSA-N 392.496 3.710 0 40 GHAB Cc1nc(COc2cccc(/C=C/C(=O)Nc3ccc(C(N)=O)cc3)c2)cs1 11328095 DLXUCDZCCMCROS-BJMVGYQFSA-N 393.468 3.781 0 40 GHAB COc1cccc(-c2ocnc2C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 12115163 BNJFMFSLMJTZEI-UHFFFAOYSA-N 391.427 3.839 0 40 GHAB O=C(NC[C@@H](c1ccccc1F)N1CCCC1)c1cccc(N2CCCC2=O)c1 12201005 SQTRFFVAJWOCSY-NRFANRHFSA-N 395.478 3.519 0 40 GHAB OC1(c2ccccc2F)CCN(Cc2ccccc2OC[C@@H]2CCCO2)CC1 12240586 XVYMLDMQOYYEPG-IBGZPJMESA-N 385.479 3.867 0 40 GHAB COc1cc(CCC(=O)N2CCC[C@@H](c3nn(C)c4ncccc34)C2)ccc1C 12253752 ZSQDIRARZFFFAU-GOSISDBHSA-N 392.503 3.624 0 40 GHAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4oc5c(c4c3)CCCC5)ccc21 12292920 PZSRQOFAXRUGLB-UHFFFAOYSA-N 398.440 3.557 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccccc1Br 12509300 DMIHWBXBBBZIDR-UHFFFAOYSA-N 389.293 3.558 0 40 GHAB O=C(NC1CC1)[C@H](Nc1ccc(I)cc1)c1ccccc1 12555619 QWHIWOXFQUOYDN-MRXNPFEDSA-N 392.240 3.723 0 40 GHAB Cc1c(C(=O)Nc2ccccc2N2CCOCC2)cnn1-c1ccc(Cl)cc1 12564729 OFLUNFSOFLKTDH-UHFFFAOYSA-N 396.878 3.923 0 40 GHAB COC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 12578484 SCIHPRIACUMPPP-YFPIXMDGSA-N 375.428 3.726 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12604462 YLWCTFIBEUOUGS-FQEVSTJZSA-N 379.508 3.938 0 40 GHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1 12765018 SAFFZEACMHXEPV-UMADGWCESA-N 398.528 3.577 0 40 GHAB CCOc1ccc(-c2nc(NC(=O)c3nc4nccc(C)n4n3)sc2C)cc1 12816341 CBZUBXVCHRJOPA-UHFFFAOYSA-N 394.460 3.516 0 40 GHAB CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3nnc(-c4ccccc4)o3)C2=O)cc1 13039380 HTBFRVAUCPNZNP-QFIPXVFZSA-N 390.443 3.827 0 40 GHAB O=C(C1CCCC1)N1CCc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 13696359 CZRCPWGDNRSODT-UHFFFAOYSA-N 384.501 3.708 0 40 GHAB CCc1ccc(N2C[C@@H](c3nnc(NC(=O)C(CC)CC)s3)CC2=O)cc1 13944504 CEJOFPRFALNXSU-HNNXBMFYSA-N 386.521 3.996 0 40 GHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 14003350 YRUIMQVOQCAJAV-INIZCTEOSA-N 378.428 3.924 0 40 GHAB CC(=O)N1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 14182878 GFQFGHFKXHXFHL-UHFFFAOYSA-N 385.514 3.766 0 40 GHAB Cc1sc2ncn(CCC(=O)Nc3cccc4cccnc34)c(=O)c2c1C 14198361 CJAKIKULCKKLBE-UHFFFAOYSA-N 378.457 3.652 0 40 GHAB CCN(CC)Cc1ccc(CNc2ccc3nnc(C(F)(F)F)n3n2)cc1 14199208 FKOLEJHZYVXVED-UHFFFAOYSA-N 378.402 3.597 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)Cc1cccc2ccccc12 14240973 JETOHEDZSYXXRU-INIZCTEOSA-N 376.456 3.843 0 40 GHAB COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 14242304 HLUWJNUOIIRWTJ-ZDUSSCGKSA-N 393.472 3.824 0 40 GHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)CNC(=O)NCc1ccc(F)cc1 14375825 KNVREKUBNWJPKV-UHFFFAOYSA-N 398.265 3.590 0 40 GHAB Cc1sc2ncn(CCC(=O)Nc3nc4ccccc4s3)c(=O)c2c1C 14850416 DJULEBCBHBFZSA-UHFFFAOYSA-N 384.486 3.713 0 40 GHAB CC(C)[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc2c(c1)OCCO2 15817592 NQBMTCGRWOGDQG-WOJBJXKFSA-N 387.863 3.928 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(C(F)(F)F)nn2[C@H]1c1ccc(Cl)cc1 17078999 ZBZBVAQBNIKAKA-LBPRGKRZSA-N 386.761 3.802 0 40 GHAB COc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCC2)cc1 17911554 JNROTMTWMXGSKV-JOCHJYFZSA-N 382.504 3.644 0 40 GHAB COc1cccc(N/C=C2/C(=O)N(c3nccs3)C(=O)c3ccccc32)c1 18024322 HULVHTPAHWGQKD-SFQUDFHCSA-N 377.425 3.792 0 40 GHAB Cn1c(=O)c2c(c3ccccc31)Nc1[nH]nc(O)c1[C@H]2c1ccc(Cl)cc1 18197697 OEZGHMIJAUDSMQ-AWEZNQCLSA-N 378.819 3.858 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1ccoc1CN1CCCCC1)c1ccc(F)cc1 19291219 GPXOXFUFCWVVGW-FQEVSTJZSA-N 396.466 3.658 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Cn2cc(Cl)cn2)c(OC)c1 19457320 XMSQPCKFFXAHMM-SUMWQHHRSA-N 377.872 3.554 0 40 GHAB CCc1nccn1[C@@H](C)C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)c(C)s1 19666314 XGHANWHQVDQQPK-LBPRGKRZSA-N 398.488 3.848 0 40 GHAB COc1ccc(C)cc1NC(=O)c1nnc2c(-c3ccc(F)cc3)cnn2c1C 19817153 DXZPLGPRVPQYBQ-UHFFFAOYSA-N 391.406 3.808 0 40 GHAB Cc1ccc(OCCCn2c(CN3CCOCC3)nc3ccccc32)c(C)c1 21175819 JRWFJMPKJXSCOM-UHFFFAOYSA-N 379.504 3.954 0 40 GHAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(Cn2cccn2)cc1 22143381 MMBWUEQXZCYLTH-UHFFFAOYSA-N 398.470 3.727 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c(OC)c1OC 22511588 MPVFJFOSHYEXOB-MRXNPFEDSA-N 387.476 3.721 0 40 GHAB c1ccc2c(N3CCN(C[C@H]4CCCO4)CC3)nc(-c3ccsc3)nc2c1 22806029 YAMIWFIZYJVLHC-QGZVFWFLSA-N 380.517 3.659 0 40 GHAB CNC(=O)C1CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 23200123 CPQZZCZSGWKDRW-UHFFFAOYSA-N 383.439 3.787 0 40 GHAB CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 24104754 KZJSVYSDNHANKG-UHFFFAOYSA-N 388.258 3.812 0 40 GHAB COC(=O)c1ccoc1COC(=O)c1csc(COc2ccc(C)cc2)n1 24106767 RGQKXYCCKVGVKJ-UHFFFAOYSA-N 387.413 3.767 0 40 GHAB COc1ccccc1[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1nccn1C 25053180 SNQDTMNECPOBFA-IFXJQAMLSA-N 399.878 3.755 0 40 GHAB C[C@H](CNC(=O)c1cc(Br)ccc1F)N1CCc2ccccc2C1 25640764 PPKNEZIKYKYLIQ-CYBMUJFWSA-N 391.284 3.765 0 40 GHAB CCCN(C(=O)CN1CCC(NC(=O)c2ccccc2)CC1)C1=CCCCC1 25830266 DIARULHWNDHKEI-UHFFFAOYSA-N 383.536 3.577 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Cl)cc(Cl)c1 25883168 FVODTAATHGKIHO-UHFFFAOYSA-N 385.272 3.686 0 40 GHAB COc1ccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c(OC)c1 26677068 SUVHWTSGYCNYIX-INIZCTEOSA-N 392.864 3.799 0 40 GHAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1Cc1ccccc1 27976129 OOPKJTUIBMNMQV-QGZVFWFLSA-N 399.454 3.659 0 40 GHAB COc1ccc(CNC(=O)c2ccc(COc3ccccc3OC)o2)cc1OC 27980348 RWVSHIKBOVRLBU-UHFFFAOYSA-N 397.427 3.814 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(Nc2ncccn2)c1 28102272 MZABCIATSVEBMS-UHFFFAOYSA-N 384.443 3.678 0 40 GHAB O=C1C[C@@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1ccc(Cl)cc1 30903912 RKAHIWXEFVCMRV-LJQANCHMSA-N 379.847 3.512 0 40 GHAB biogenic COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2cccc(F)c2)cc1 32094522 TZXMRVXSMKNEFY-QGZVFWFLSA-N 394.406 3.528 0 40 GHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)CCNC(=O)c1ccccc1Cl 32719700 HAGZLGJJCRXTHZ-UHFFFAOYSA-N 392.858 3.656 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1 32900216 NBDSLSKCMXZOKG-UHFFFAOYSA-N 376.460 3.536 0 40 GHAB COc1cccc(-n2nnc(C(=O)N[C@H](C)c3cccc(OC(C)C)c3)c2C)c1 40112809 RQLMMTHBXCTFNA-OAHLLOKOSA-N 394.475 3.863 0 40 GHAB Cc1cccc([C@H](CNC(=O)[C@@H](C)SCc2ccccc2)N2CCOCC2)c1 40142095 PUEQCTSQXLQKCN-KNQAVFIVSA-N 398.572 3.806 0 40 GHAB CN(Cc1ccc(Br)cc1)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 40159464 YFXGNDTTYJPLGF-OAHLLOKOSA-N 397.313 3.807 0 40 GHAB C[C@@H](NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccc(F)cc1 41253763 KVRIPQQIHADNDA-CQSZACIVSA-N 399.853 3.970 0 40 GHAB COc1ccc(C2(CNS(=O)(=O)Cc3ccc(F)cc3)CCCC2)cc1 44225425 CYCVAQYTLXTNMO-UHFFFAOYSA-N 377.481 3.766 0 40 GHAB CN1CCC(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)CC1 45140603 FHILTACGZHYPLT-UHFFFAOYSA-N 384.867 3.610 0 40 GHAB Cc1ncsc1C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 46919544 LMJPQXZLVKRTMM-AWEZNQCLSA-N 397.422 3.564 0 40 GHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccccc2Cn2cncn2)c1 48362746 MCLOOISAPNWFNC-GOSISDBHSA-N 392.503 3.842 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1ccccc1N1CCCC1 48367787 PUEZPWDLGKEJGZ-UHFFFAOYSA-N 375.472 3.918 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)[C@H](c1ccccc1)n1cccc1)CC2 49030863 GFZMJAHSRREQBJ-QFIPXVFZSA-N 376.456 3.680 0 40 GHAB O=C(N[C@@H]1CCOc2c(Cl)cccc21)C1CCN(CC(F)(F)F)CC1 55456813 URGQFFCWBCIHMO-CQSZACIVSA-N 376.806 3.554 0 40 GHAB CN(C)[C@H](CNC(=O)CCC(=O)c1ccc(Cl)s1)Cc1ccccc1 57615628 XEKVHPCFROLAOX-HNNXBMFYSA-N 378.925 3.654 0 40 GHAB CC(C)OCCC(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 60065096 BDKUQNJJWGXHRT-KRWDZBQOSA-N 382.460 3.516 0 40 GHAB Cc1cc(Br)c(O)c(C(=O)OCc2cc(F)cc3c2OCOC3)c1 62386828 CSGLPAKAPNAFSU-UHFFFAOYSA-N 397.196 3.826 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc21 64946823 WLHZTRQWVPFCFB-UHFFFAOYSA-N 382.894 3.927 0 40 GHAB CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@H]3CC=CC(=O)O3)[C@H]21 67665325 NCKMUHPTJJCVPV-INTXDZFKSA-N 388.504 3.726 0 40 GHAB in-vitro CCOC(=O)c1sc2ncn(Cc3ccc(OC)cc3Cl)c(=O)c2c1C 72300659 NEIRIQXAMMYHDF-UHFFFAOYSA-N 392.864 3.653 0 40 GHAB Cc1nc(NC(=O)COc2cccc3c2OC(C)(C)C3)ccc1Br 72305643 DGGFFRZEFAKDAE-UHFFFAOYSA-N 391.265 3.884 0 40 GHAB COc1cc(-c2ccccc2)sc1C(=O)N1CCN(CCOC(C)C)CC1 72307183 NBQRNAOACXYCCL-UHFFFAOYSA-N 388.533 3.607 0 40 GHAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 72356171 OYQUMWJQTWHGBM-GOSISDBHSA-N 378.451 3.863 0 40 GHAB Cc1cn2c(n1)CC[C@H](N[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C2 89702174 BJYBYQYJLAVTJY-PZJWPPBQSA-N 378.451 3.615 0 40 GHAB O=C1C[C@H](N2CC=C(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 95483182 OVKXUNWCQHQOQZ-IBGZPJMESA-N 384.838 3.900 0 40 GHAB COC(=O)N1CCc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2C1 96096282 MWXJMTOQEARVQV-UHFFFAOYSA-N 394.349 3.962 0 40 GHAB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccsc2)CCO1 96117450 HFAKBNTYHVAVGT-SMDDNHRTSA-N 379.507 3.555 0 40 GHAB O=C(c1ccco1)N1CC[C@H](c2ccn(C[C@@H]3CCCO3)n2)c2ccccc21 96260810 DMRYAIBOEWGLLV-IRXDYDNUSA-N 377.444 3.838 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1cccc(C(F)(F)F)c1)C(=O)C2 100843578 ZLPFVDXUEVRGBT-MEDUHNTESA-N 375.412 3.843 0 40 GHAB CCOc1ccc(N2C(=O)C[C@H](Nc3ccccc3Br)C2=O)cc1 101276338 WJSKCERCAXJGNP-INIZCTEOSA-N 389.249 3.592 0 40 GHAB CCCCN1C(=O)[C@H]2[C@@H]3C=Cc4cc(C)ccc4N3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 101482112 QXDMQYKEMQIMIQ-HAGHYFMRSA-N 394.515 3.596 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1ccccc1 101996587 CTKZRGNTAQNXDM-OTWHNJEPSA-N 376.437 3.799 0 40 GHAB CCOC(=O)[C@H]1CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)C1 105369628 SBBCQMGYCCNVDO-IDYNPRKMSA-N 389.536 3.720 0 40 GHAB biogenic COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1C 219678602 MEMBFBBEBCFZIG-LBPRGKRZSA-N 392.249 3.950 0 40 GHAB COc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 222527653 MHMBXWSFTCIFQY-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB CCCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 222775927 UZDUYSFKMVPOHE-IBGZPJMESA-N 382.504 3.789 0 40 GHAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1 223443639 AYOGYVDIXKTWNQ-WOJBJXKFSA-N 378.501 3.899 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1 223514431 VEMZTZMGKYLQOH-IBGZPJMESA-N 396.531 3.880 0 40 GHAB Cc1cccc(OCCNS(=O)(=O)Cc2cccc(Br)c2)c1C 223964285 HFUZXVNHSWPDMR-UHFFFAOYSA-N 398.322 3.564 0 40 GHAB COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1cccc(C)c1 224113184 LSWXCLMXHARSPD-UHFFFAOYSA-N 390.439 3.934 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 224630350 XGXJBEYYKYJHFZ-HXUWFJFHSA-N 386.923 3.869 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2c(C)cccc2C)cc1Br 224874500 QGQYUEOIMDMGJM-UHFFFAOYSA-N 384.295 3.900 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21 225341754 ZUNMUSOGDRBQQU-UHFFFAOYSA-N 382.844 3.579 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225533503 UNDKMSOBEJWNQX-IBGZPJMESA-N 382.504 3.624 0 40 GHAB COc1cc(C)c(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1C(C)C 225659595 QSSUCZKROLWBMV-UHFFFAOYSA-N 390.505 3.775 0 40 GHAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 243822468 QWALJAQSEABYJP-CYBMUJFWSA-N 393.270 3.671 0 40 GHAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1ccc(OC(F)(F)F)cc1 253471809 FTVPJPZYKOYMBA-KRWDZBQOSA-N 397.374 3.906 0 40 GHAB O=C(N[C@H]1CCCc2ccccc21)C1CN(c2cc(-c3ccccc3)ncn2)C1 253472397 MAKJOAXBIKIDRI-NRFANRHFSA-N 384.483 3.774 0 40 GHAB CCC(=O)N1CCC(Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)CC1 257218912 DEVFJWLDEALZQF-UHFFFAOYSA-N 393.531 3.835 0 40 GHAB C[C@@]12C[C@H]3[C@H](Cc4ccccc4)N[C@@H]1CCCC[C@@H]2N3C(=O)c1cncs1 257271071 MWRBYSIOMSVQPC-QMXBJOJWSA-N 381.545 3.890 0 40 GHAB O=C(NCc1cccc(CN2CCCCC2)c1)c1cc2ccccc2nc1O 257287980 PSGZEHWCUFKHHG-UHFFFAOYSA-N 375.472 3.856 0 40 GHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(Cc1cnc(C)nc1)C3 257312170 UMTJHHUXWAMHQV-AZUAARDMSA-N 395.503 3.544 0 40 GHAB O=C(COc1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257324385 WOMFZLHOIASWBE-HXUWFJFHSA-N 395.434 3.932 0 40 GHAB FC(F)(F)c1ccc(-n2ncc3c2COC[C@H]3NCc2nccs2)cc1 306124608 BUGBKOSGORHNHO-CQSZACIVSA-N 380.395 3.709 0 40 GHAB Cc1ccc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)s1 306135472 ORXZMWIGRJASHV-RTBURBONSA-N 398.557 3.704 0 40 GHAB Cc1ccccc1CC(=O)N1CC[C@]2(C1)Cn1c(-c3ccccc3)cnc1CO2 306142513 XBKYXWCJFVBSQI-DEOSSOPVSA-N 387.483 3.603 0 40 GHAB CCC[C@@H]1CN(C(=O)c2cnc3onc(CC)c3c2)CCN1Cc1ccccc1 538333580 BQMVEWPJZGCYMZ-LJQANCHMSA-N 392.503 3.912 0 40 GHAB Brc1cccc(Cc2noc(CSCC3CCNCC3)n2)c1 571439813 VFHZKCFIBFFBPR-UHFFFAOYSA-N 382.327 3.656 0 40 GHAB Cc1ccc(C)c(OC[C@@]2(O)CN(C3CCC(C)(C)CC3)CC[C@@H]2O)c1C 585285234 DCDZJZRLNAICGG-REWPJTCUSA-N 375.553 3.757 0 40 GHAB O=C(CN1CCCCCOc2ccccc2Oc2ncccc2C1)NC1CC1 643575544 KHTDXGVKQGHLEG-UHFFFAOYSA-N 381.476 3.517 0 40 GHAB Cc1nnc(CN(C)C(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)o1 666594669 ZWEHEEHYZMLSLO-UHFFFAOYSA-N 395.250 3.843 0 40 GHAB Cc1cccc(N2N=C(C(=O)N3CCc4c(F)cc(F)cc4[C@H]3C)CCC2=O)c1 1517572092 NAFKTIXAODBIGU-CQSZACIVSA-N 397.425 3.902 0 40 GHAB CCCC1(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)c4ccc(Cl)cc4)C[C@@H]32)CCC1 1615058526 PZEANWWIISIOFT-OAOYMFHYSA-N 388.939 3.987 0 40 GHAB CCOc1ccc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cc1 1615159029 UUDLHOUDLIUNJI-QHCPKHFHSA-N 398.478 3.622 0 40 GHAB C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1ccc(NCC2CC2)nc1 1629849182 AEZFNIQIBVMTSX-CQSZACIVSA-N 380.467 3.895 0 40 GHAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 1646471452 HRFYMGSCPNALIU-AWEZNQCLSA-N 386.398 3.815 0 40 GHAB O=C(c1ccc(F)cc1F)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1775973294 DYIZMFXCWBWIGV-STQMWFEESA-N 396.235 3.932 0 40 GHAB O=C1CO[C@H]2CCN(Cc3c(F)cccc3Cl)C[C@@H]2CN1c1ccccc1 2037983984 MWRAKFGUPXSRPS-QRWLVFNGSA-N 388.870 3.733 0 40 GHAB CCOc1ccc2nc(NC(=O)CSc3nnc(C(C)C)n3C)sc2c1 1356069 ZBBNQSHEUSISQC-UHFFFAOYSA-N 391.522 3.678 0 40 GHAB CCC(C)(C)C1CCC(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 18213390 YPISOAXAMAWFJH-UHFFFAOYSA-N 392.565 3.852 0 40 GHAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc(-n2cnnn2)c1 9734629 ZNAMTNHJECQNSA-UHFFFAOYSA-N 394.822 3.542 0 40 GHAB COc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 683217 UCSKJIOGKMGYKA-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)[C@@H]3CCCO3)cc2c1 4230982 FRIYYANFUDTSNN-FQEVSTJZSA-N 396.512 3.860 0 40 GHAB CN(CC(=O)Nc1ccc(CN2CCCC2)cc1)Cc1nc2ccccc2s1 7690745 RXLMWJSDJVVGIO-UHFFFAOYSA-N 394.544 3.963 0 40 GHAB CCCN1CCN([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 22789354 IWBFRADWKBRMEE-IBGZPJMESA-N 381.520 3.620 0 40 GHAB Cc1cc(C)n2c(CCCNC(=O)C(c3ccccc3)c3ccccc3)nnc2n1 12323164 GXSPTPXAOAZWRN-UHFFFAOYSA-N 399.498 3.622 0 40 GHAB C[C@@](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)(C(=O)O)c1ccccc1 23625668 IZUXDNXRNZHRAX-QFIPXVFZSA-N 392.411 3.903 0 40 GHAB O=C(Nc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)s1)c1ccco1 23756958 CAXKDNZKDQRVII-UHFFFAOYSA-N 394.456 3.832 0 40 GHAB C[C@H]1C[C@H](OC[C@H](O)CN2CCN(c3ccccc3F)CC2)CC(C)(C)C1 34118518 GFQKJOYOOVSYKW-OTWHNJEPSA-N 378.532 3.540 0 40 GHAB Cn1c(-c2ccccc2)c(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c2ccccc21 103066427 AQUHJRHNDBDAEH-ROUUACIJSA-N 398.462 3.979 0 40 GHAB CC1(C)Cc2cccc(OCCNC(=O)C3(c4ccccc4)CCOCC3)c2O1 25302943 RTCHZFQISMMSRR-UHFFFAOYSA-N 395.499 3.644 0 40 GHAB CS(=O)(=O)Nc1cc(NC(=O)c2cc(C3CC3)nc3ccccc23)ccc1F 25515998 KZCWLCOIILQSHS-UHFFFAOYSA-N 399.447 3.875 0 40 GHAB Cc1cc(C)c(NC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)c(C)c1 44169112 LTNSEIPUNDDSIM-UHFFFAOYSA-N 382.508 3.964 0 40 GHAB Cc1ccn(C(=O)C2CCN(C(=O)c3ccco3)CC2)/c(=N/C2CCCCC2)c1 26492297 ZEQCPLNIQJCEHB-DARPEHSRSA-N 395.503 3.816 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2ccc(Cl)cc2C)cc1 22277398 JKKXIFIPAGDANL-UHFFFAOYSA-N 394.924 3.677 0 40 GHAB CN(C(=O)Cn1cnc2c(sc3ccccc32)c1=O)c1cccc(Cl)c1 57508009 SFCRFJWXWIHJGN-UHFFFAOYSA-N 383.860 3.928 0 40 GHAB O=C(COc1ncnc2sc3c(c12)CCCC3)Nc1ccc(F)cc1F 3275190 RURFBVKHNGQADR-UHFFFAOYSA-N 375.400 3.866 0 40 GHAB C[C@@H](Oc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cn1)c1ccccc1 58060967 KBBNGXGDXZVJKS-CYBMUJFWSA-N 375.384 3.908 0 40 GHAB C[C@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NCc1ccccc1 58172402 QISGKNRVPHITGP-INIZCTEOSA-N 399.450 3.930 0 40 GHAB CC(C)c1noc(-c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)n1 58264742 BLCYHMMNXAONRK-UHFFFAOYSA-N 379.388 3.939 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(N2CCOCC2)s1 58357843 RPLGMYBZALHZAY-LBPRGKRZSA-N 388.518 3.528 0 40 GHAB COc1ccccc1OCC(=O)NC[C@H](c1cccs1)N1CCCCCC1 27990371 KTVBFQYNBIDGLO-QGZVFWFLSA-N 388.533 3.869 0 40 GHAB C[C@H](c1ccccc1)N(C)C(=O)CS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 58934849 CNDWEJNXCLHFNA-CQSZACIVSA-N 399.434 3.840 0 40 GHAB COc1ccc2cc(CNC(=O)CCCn3c(=O)oc4ccccc43)ccc2c1 11122931 RIZYNCTXCJROFB-UHFFFAOYSA-N 390.439 3.853 0 40 GHAB Cc1ccccc1Nc1oc2c(c1-c1ccccc1F)c(=O)n(C)c(=O)n2C 11614576 GJRNRBZUZXIMII-UHFFFAOYSA-N 379.391 3.688 0 40 GHAB CCN(C(=O)[C@H](C)Sc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 12811373 VBSOECSYJSPXBI-QWRGUYRKSA-N 396.361 3.510 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)c1C 12907504 WBKYLKDPLPYBJV-GFCCVEGCSA-N 377.824 3.890 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 12922712 DPAHDRMUDULPOD-PMPSAXMXSA-N 377.362 3.765 0 40 GHAB C1=NN2C(=NC3=C([C@@H]2c2cccnc2)[C@@H](c2ccccc2)Oc2ccccc23)N1 13213605 RBLHCPMTICONNZ-FCHUYYIVSA-N 379.423 3.886 0 40 GHAB C[C@H]1CN(CCOc2ccc3c(=O)c(-c4ccccc4)coc3c2)C[C@@H](C)O1 13608269 SEGDXBOJTVZVCX-CALCHBBNSA-N 379.456 3.948 0 40 GHAB biogenic CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=S)Nc1cccc2nonc12 13732595 PIJBUFIYQVHEPR-UHFFFAOYSA-N 393.472 3.672 0 40 GHAB Cc1cc(C)n2c(SCC(=O)N3CC[C@@H](C)Sc4ccccc43)nnc2n1 6172101 WOFLONRJHOJKAY-CQSZACIVSA-N 399.545 3.751 0 40 GHAB CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)NCCC(C)C)c2c1=O 65113506 UQRRXLRTWVOSNO-UHFFFAOYSA-N 394.519 3.827 0 40 GHAB C[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cccs1 14138663 IFPCXEKZPHJGJZ-LLVKDONJSA-N 395.410 3.637 0 40 GHAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCCCC3)c2)CC1 408701757 FHXBHQVVUPVFJN-UHFFFAOYSA-N 398.956 3.777 0 40 GHAB NS(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 14244291 LGSSZVNSANYFOK-UHFFFAOYSA-N 395.484 3.568 0 40 GHAB Cc1cccc(OCc2nn(CC(=O)N[C@@H]3CCCC[C@H]3C)c(=S)o2)c1 409151705 IQJLHBMSQJECAN-GDBMZVCRSA-N 375.494 3.788 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(OC)c3ccccc23)C1=O 4695937 BDVUIOWDQGUJHR-ZSAINHDTSA-N 385.441 3.836 0 40 GHAB O=C(Nc1ncc2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O)c1cccc(F)c1 5573571 DMTADGKQYHOPKS-CQSZACIVSA-N 379.366 3.920 0 40 GHAB COc1cccc(NC(=O)CCc2c(C)c3ccc(OC)c(C)c3oc2=O)c1 6660677 FLHOPLIJCMZVLF-UHFFFAOYSA-N 381.428 3.998 0 40 GHAB Cc1ccsc1CN(C(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 6810209 DWFLVLACOLSYMZ-HNNXBMFYSA-N 383.922 3.539 0 40 GHAB CCCn1c(C)cc(C(=O)CSc2nc(O)cc(=O)n2C2CCCC2)c1C 9315434 XGJNWCCUQQCPRY-UHFFFAOYSA-N 389.521 3.867 0 40 GHAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Br)cc2F)s1 7776669 PYKFIMXISGOJSI-ZCFIWIBFSA-N 376.276 3.867 0 40 GHAB CCCCNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 409138164 ZFPNWHSPIQWTFC-UHFFFAOYSA-N 394.924 3.760 0 40 GHAB O=C1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)SC(Nc2ccccc2)=N1 17043113 UWDOPGQREIOZHT-CQSZACIVSA-N 377.828 3.918 0 40 GHAB O=C1COc2ccc(C(=O)COc3ccc(C(=O)c4ccccc4)cc3)cc2N1 8541069 IIUZCFOBSLGSEO-UHFFFAOYSA-N 387.391 3.510 0 40 GHAB O=C(Nc1nnc(SCc2cc(=O)c3ccccc3[nH]2)s1)c1ccco1 21099174 JRNLJURJMALQGX-UHFFFAOYSA-N 384.442 3.517 0 40 GHAB COC(=O)c1ccc2c(c1)CCCN2C(=O)c1cc(C)nc2ccc(OC)cc12 84083275 MRMIYNZKZFBPMC-UHFFFAOYSA-N 390.439 3.931 0 40 GHAB CN(Cc1cc(Br)ccc1F)C(=O)c1ccc2c(c1)CCC(=O)N2 97160864 RHADAJICQMJQMK-UHFFFAOYSA-N 391.240 3.745 0 40 GHAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cc(-c2ccccc2)n[nH]1 28246983 BVXRAQGKXZKQHQ-UHFFFAOYSA-N 375.354 3.808 0 40 GHAB Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)c1cccc2c1OCC(=O)N2 95957265 IRSCUATYNREVAX-UHFFFAOYSA-N 388.427 3.641 0 40 GHAB CCOC(=O)COc1ccc(/C=C2\C(=O)N(CC)c3ccccc32)cc1OC 409113798 IWHVOVBFZBMOAN-ATVHPVEESA-N 381.428 3.544 0 40 GHAB Cc1cc(Cl)cc(OCC(=O)N2N=C3CCCC[C@H]3[C@]2(O)C(F)(F)F)c1 409188776 GFZLWYJUSOPABB-CJNGLKHVSA-N 390.789 3.667 0 40 GHAB O=S(=O)(Cc1ccccc1F)Nc1nnc(SCc2ccccc2)s1 186613900 WQIQALYFQXHBNP-UHFFFAOYSA-N 395.506 3.911 0 40 GHAB O=C(Nc1ccc2sc(C(=O)N3CCOCC3)cc2c1)c1ccc(F)cc1 408713410 XILFFCSEKIZSTA-UHFFFAOYSA-N 384.432 3.765 0 40 GHAB Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1Cc1ccccc1 529684973 MYHTYGDLYNJLTH-JRGCBEDISA-N 377.875 3.732 0 40 GHAB COC(=O)[C@H](C)NC(=O)c1cc(-c2ccccn2)nc2cc(C(C)C)ccc12 35686365 OZBOXBZIBRBUEW-AWEZNQCLSA-N 377.444 3.712 0 40 GHAB CC(=O)c1cccc(NC(=O)Cn2cc(-c3ccc(C)cc3)c(N(C)C)n2)c1 62006983 CKUHAIHZJSYHCT-UHFFFAOYSA-N 376.460 3.766 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1Br 38755500 SNYKQTMQSKKZQJ-LBPRGKRZSA-N 384.295 3.806 0 40 GHAB COCCOc1ncccc1-c1noc([C@@H]2CCCN2CC2CCCCC2)n1 35424974 XMYUEKUXJKDTFS-SFHVURJKSA-N 386.496 3.874 0 40 GHAB biogenic,in-vitro O=C1Nc2cc(F)ccc2[C@]12CC(O)=Nc1c2cnn1Cc1ccc(Cl)cc1 32102815 JUQWKDVMKTYTNI-FQEVSTJZSA-N 396.809 3.954 0 40 GHAB Cc1ccc2c(n1)N(C)[C@H](c1ccc(NC(=O)[C@H]3CC=CCC3)cc1)NC2=O 72341177 CWCAFZPUQVBSMP-QFBILLFUSA-N 376.460 3.563 0 40 GHAB O=C(c1cc(F)ccc1F)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 40122389 FVWGXCGUUASPOR-UHFFFAOYSA-N 399.224 3.870 0 40 GHAB COc1ccccc1[C@@H](C)NS(=O)(=O)Cc1cccc(Br)c1 222877191 YTHXKBLBFYRJOA-GFCCVEGCSA-N 384.295 3.638 0 40 GHAB C[C@H]1Cc2ccccc2N1c1nc2ncn(-c3ccccc3)c(=S)c2c(=O)[nH]1 40385760 YIJCNKUIYFXWDF-ZDUSSCGKSA-N 387.468 3.921 0 40 GHAB COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2OC)ccc1Cl 225583079 LCNOLCUPQMIMKT-UHFFFAOYSA-N 390.244 3.589 0 40 GHAB COc1ccc(N[C@@H](C)C(=O)NCCc2ccc(F)cc2)cc1OC(F)F 40049977 STRMWMFZPADUCH-LBPRGKRZSA-N 382.382 3.595 0 40 GHAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cccc2Cl)c1=O 40478543 XAODOIUKKNYYAN-UHFFFAOYSA-N 399.878 3.564 0 40 GHAB COc1cccc2cc(C(=O)NC[C@H](OC)c3ccc(Cl)s3)c(=O)oc12 225703299 WVNABLWNXJSTGX-ZDUSSCGKSA-N 393.848 3.634 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1 222966965 SBVPODIWQDOMRA-CQSZACIVSA-N 376.859 3.575 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 223636057 IDKZKGJBZFSXIT-LJQANCHMSA-N 382.504 3.544 0 40 GHAB COc1cc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)ccc1OCc1ccccc1 40867930 YJDYKNYVQMXTEH-ACUNGTFPSA-N 383.444 3.513 0 40 GHAB c1cncc(CNc2nc(NCc3ccc4c(c3)OCO4)nc3ccccc23)c1 227116943 YGVXCDUYSCXVLC-UHFFFAOYSA-N 385.427 3.978 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](CC(=O)N(C)C)c2ccccc23)o1 96242036 MFPWMLKWCQOQAI-QGZVFWFLSA-N 380.488 3.728 0 40 GHAB CCN(CC)c1ccc(CNC(=O)c2cc(C)n(-c3nccs3)c2C)cn1 97493581 DDWIRVRIWRUISP-UHFFFAOYSA-N 383.521 3.722 0 40 GHAB Cc1nc([C@@]2(C)CCCN(Cc3ccccc3OCC(=O)O)C2)c2sccn12 257221959 DRHIZHMUOZKDDD-NRFANRHFSA-N 399.516 3.721 0 40 GHAB Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1NS(=O)(=O)c1ccccc1 250922850 PTZAOJNIFSFCLQ-FTRWYGJKSA-N 384.501 3.714 0 40 GHAB Cc1cccc(-c2noc(-c3ccc4c(=O)n(CCC(C)C)c(=O)[nH]c4c3)n2)c1 85601944 RUMWXZCOGKVKJO-UHFFFAOYSA-N 390.443 3.761 0 40 GHAB O=C(NCCc1cnc(C2CC2)nc1)N1CC[C@@]2(c3ccccc3)[C@H](C1)C2(F)F 606444764 LPIRXRYBXYWDKA-GHTZIAJQSA-N 398.457 3.515 0 40 GHAB O=C(CN[C@H](c1ccccc1)C(F)(F)F)N1CC[C@@H](c2ccc(O)cc2)C1 629665046 LWQSNIHYQFHJLB-VQIMIIECSA-N 378.394 3.601 0 40 GHAB O=C(/C=C/c1cccc(O)c1)Nc1ccc2nc(CN3CCCCC3)[nH]c2c1 1118917532 KBZFZNUXFDFQMD-JXMROGBWSA-N 376.460 3.906 0 40 GHAB CC(C)c1noc(CN2CC[C@H](C(=O)O)c3cc(Br)ccc32)n1 635019155 RRIWPDFMPKLDSJ-NSHDSACASA-N 380.242 3.534 0 40 GHAB CCCCCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc21 299817172 JMCYJVVVJOZORS-FQEVSTJZSA-N 377.488 3.658 0 40 GHAB in-vitro Cc1c(O[C@@H](C)C(=O)O[C@@H](C)C(=O)O)ccc2c(=O)c(-c3ccccc3)coc12 725403157 YLROTNHBRBCJRC-KBPBESRZSA-N 396.395 3.552 0 40 GHAB COc1ccc([C@H](Cc2ccccc2)NC(=O)N2C[C@@H](C)[C@](C)(CO)C2)cc1 664927044 OMTMEYAEGFKGTH-FHZYATBESA-N 382.504 3.639 0 40 GHAB O=C(Cc1ccccc1)N1CCC2(CC1)CN(C(=O)C1CC1)c1ccc(F)cc12 585104232 NZNWRVPIAONFSE-UHFFFAOYSA-N 392.474 3.685 0 40 GHAB COc1ccc(CN2Cc3cc(C)ccc3OC3(CCN(C)CC3)C2)cc1OC 72393752 YSJOEPAVCDQYEB-UHFFFAOYSA-N 396.531 3.871 0 40 GHAB CC[C](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1 1560403803 ICIMBTMZIPAGIR-UHFFFAOYSA-N 385.387 3.596 0 40 GHAB COc1ccc(F)cc1CN1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615122757 QPATWUOPEQSJHH-QHCPKHFHSA-N 398.478 3.622 0 40 GHAB CC1(C(=O)N2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)CCCCC1 1615158038 PTDIHIMZKWWNDS-QFIPXVFZSA-N 388.483 3.521 0 40 GHAB O=C1C[C@@]2(CC(c3ccc(Cl)cc3)=NO2)C(=O)N1c1cccc(Cl)c1 5323564 XZRYZQOLWPNDNK-SFHVURJKSA-N 375.211 3.820 0 40 GHAB COc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)C(C)C)c2nccs2)C1 12183327 HLSHJRUNUIEOPH-IEBWSBKVSA-N 387.549 3.877 0 40 GHAB CCOc1cc(CCC(=O)N2CCCc3c(Cl)cc(Cl)c(O)c32)on1 12290733 XDZBXZKDEHYOJJ-UHFFFAOYSA-N 385.247 3.998 0 40 GHAB CCn1nnc2cc(C(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)ccc21 14636374 NGMVJVHJBAEQJV-OAQYLSRUSA-N 394.475 3.740 0 40 GHAB COc1cccc(C(=O)N2CCC[C@@H](c3nc(C)ncc3-c3cc(C)no3)C2)c1 19122136 FXGQVELJTUQCNR-QGZVFWFLSA-N 392.459 3.777 0 40 GHAB Clc1cc2c(cc1CN1CCC(c3nnc(-c4ccncc4)o3)CC1)OCO2 19405955 OMDNWMLTOCYILU-UHFFFAOYSA-N 398.850 3.893 0 40 GHAB C[C@H](Cc1cccs1)C(=O)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19457152 OIDKMEHIVXUQRI-CQSZACIVSA-N 381.501 3.569 0 40 GHAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 19562169 GDMKQCQYIXSWQD-CQSZACIVSA-N 386.502 3.631 0 40 GHAB O=C1CCC[C@H]2[C@@H](C[C@@H](c3ccccc3F)N2C(=O)CCc2ccccc2)N1 19713439 GYKURAIJFQDLIH-HKBOAZHASA-N 380.463 3.769 0 40 GHAB CN1CCN(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1 4874233 WCFJJPZMQIIEKB-UHFFFAOYSA-N 386.908 3.509 0 40 GHAB CCCCOCCOCCOCc1cc2c(cc1Br)OCO2 1663773 VQJILJLOTBUSBY-UHFFFAOYSA-N 375.259 3.528 0 40 GHAB Cc1ccc(C)c(N(CCCC(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 207288486 NCFKQVNVJNOHRR-SFHVURJKSA-N 388.533 3.727 0 40 GHAB C=CCOc1ccccc1/C=C1/SC(=S)N([C@@H](CCC)C(=O)O)C1=O 7262885 NFSZRSHHXQDTKQ-JMRXEAOASA-N 377.487 3.706 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1512867 HVNVTOVQSGCVOD-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N(Cc1ccccc1)Cc1ccco1 6657430 FGJBYYBCSLNVTR-UHFFFAOYSA-N 387.439 3.678 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1cccc(Cl)c1 6928416 CRKBQYPYFGMVSP-UHFFFAOYSA-N 383.835 3.938 0 40 GHAB O=C(NCCCn1cnc2ccccc21)c1ccc(Cl)cc1N1CCCC1=O 7117881 XXMKPETYDZPZSQ-UHFFFAOYSA-N 396.878 3.637 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N1C[C@@H](C)O[C@H](C)C1 12457433 ZRTGOGGTUZPAJT-SXKCSBRWSA-N 387.911 3.851 0 40 GHAB Cc1c(Cl)cccc1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1 1565553514 BMNRDKVTYIPFJI-UHFFFAOYSA-N 384.911 3.961 0 40 GHAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)NN(c3ccccc3)C(=O)[C@@H]12 707119 MZDCFULDBJGKEQ-ZKKFKWFVSA-N 380.447 3.762 0 40 GHAB COc1ccc2sc(N(CCN(C)C)C(=O)/C=C/c3cccs3)nc2c1 4359358 NPQCIUYQQMCLNK-VQHVLOKHSA-N 387.530 3.974 0 40 GHAB O=C(c1cccc(OC(F)(F)F)c1)N1CC[C@H](Oc2ccncc2Cl)C1 575611110 UASHWHOPYCSWQS-ZDUSSCGKSA-N 386.757 3.927 0 40 GHAB O=C(C[C@@H](NCCC1=CCCCC1)C(=O)O)Nc1ccc(OC(F)F)cc1 5258791 AUJWFRQCUVCYKW-MRXNPFEDSA-N 382.407 3.550 0 40 GHAB COc1cccc(CN[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c1 19285172 WQUFVJLSOHQKCE-NRFANRHFSA-N 388.471 3.642 0 40 GHAB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccco2)c1 26771547 DZBUYJGHEJWNPI-RBDMOPTHSA-N 385.460 3.805 0 40 GHAB biogenic COc1ccc([C@H]2CCCCCN2C(=O)c2cc3c([nH]c2=O)CCCC3=O)cc1 40057450 KSWWHVVVDOKPHJ-HXUWFJFHSA-N 394.471 3.660 0 40 GHAB Cc1csc(Sc2ccc(NC(=O)c3cccc(OCC(N)=O)c3)cc2)n1 40148875 DDITWJQIPWAEQZ-UHFFFAOYSA-N 399.497 3.719 0 40 GHAB Cn1ncc(C(=O)O)c1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 20616491 WRTLXIGPBISHTD-UHFFFAOYSA-N 378.413 3.647 0 40 GHAB Cc1ccc(NC(=S)N(CCO)Cc2cc3ccc(C)cc3[nH]c2=O)c(C)c1 884985 OFSFPQNSOBLXDT-UHFFFAOYSA-N 395.528 3.645 0 40 GHAB COC(=O)c1cccc(CN2C(=O)S[C@H](Nc3ccc(Cl)cc3)C2=O)c1 2359575 QRLLNCWDDKTYTA-HNNXBMFYSA-N 390.848 3.760 0 40 GHAB CCn1cc(CN(C)C(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c(C)n1 2778959 SAUVJLRYGYDYLH-NSHDSACASA-N 391.825 3.608 0 40 GHAB CCN(CC)C[C@@H](C)NC(=O)c1cc(-c2cnn(CC)c2)nc2ccccc12 2808759 AYIONLTZAOESLZ-MRXNPFEDSA-N 379.508 3.578 0 40 GHAB COc1ccc([C@@H](NC(=O)NC[C@H]2CCCO2)C(Cl)(Cl)Cl)cc1F 3176428 LLPNSQZLXLARNY-ZWNOBZJWSA-N 399.677 3.724 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)CC2=O)cc1 3524974 NSAFJWZCOYKWLD-LAUBAEHRSA-N 378.472 3.632 0 40 GHAB CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc(N3C(=O)CCC3=O)sc2c1 4739765 SINSWWVBBPDIPY-UHFFFAOYSA-N 387.505 3.894 0 40 GHAB CCOc1ccccc1NC(=S)N1CCC(NC(=O)c2ccc(C)cc2)CC1 4857649 ZZJRPYWBOIGPIH-UHFFFAOYSA-N 397.544 3.985 0 40 GHAB COc1ccc2sc(N(CCN(C)C)C(=O)/C=C/c3ccccc3)nc2c1 5121505 FMMHQKARIYOPCC-FMIVXFBMSA-N 381.501 3.913 0 40 GHAB COC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1 5269344 XODFYCAWAXNQKK-UHFFFAOYSA-N 396.830 3.589 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 6230326 CEEDIBCINYGNPT-UHFFFAOYSA-N 382.441 3.574 0 40 GHAB O=c1[nH]c(CSc2nnc(NCc3ccccc3)s2)nc2ccsc12 6309646 KQNMVHZPIBJMNP-UHFFFAOYSA-N 387.515 3.741 0 40 GHAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2N2CCN(C)CC2)cc1 6418898 UAIPQOPNTOKFNY-SFHVURJKSA-N 381.520 3.969 0 40 GHAB CCOC(=O)c1sc(NC(=O)COc2c(C)cc(Cl)cc2C)nc1C 6787746 FSQSBXNWLSLHLW-UHFFFAOYSA-N 382.869 3.916 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1NC(C)=O 7405335 KBTHPYJXLCYTOE-UHFFFAOYSA-N 389.260 3.761 0 40 GHAB Cc1c(C(=O)CSc2nnc(-c3ccncc3)n2C)c2ccccc2n1C 7459490 ILQBIBPIIXDTGB-UHFFFAOYSA-N 377.473 3.652 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 7922351 MIJKJRXTGHNQHV-UHFFFAOYSA-N 379.460 3.548 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2F)cc1 7946733 LKWASQCAWGRLFZ-UHFFFAOYSA-N 384.860 3.762 0 40 GHAB CCOC(=O)C1CCN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CC1 8148552 DNEJCYGAUGDGDW-UHFFFAOYSA-N 392.550 3.710 0 40 GHAB COc1ccc(CN(C(=O)CCc2c(C)nc(SC)nc2C)C2CC2)cc1 8165393 ZNLYXPLZUVFRQF-UHFFFAOYSA-N 385.533 3.948 0 40 GHAB O=C(OCc1nc2ccccc2o1)C1CCN(C(=O)Nc2ccccc2)CC1 8333969 QBRXEVDVINCMQT-UHFFFAOYSA-N 379.416 3.815 0 40 GHAB Cc1ccc(-c2cc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)on2)cc1 8345648 AVEKHWVINGSYNM-UHFFFAOYSA-N 388.420 3.592 0 40 GHAB C[C@@H](NC(=O)CSc1nnnn1C1CCCC1)c1ccc2c(c1)CCCC2 8389083 YBVBYZYHVIHSHM-CQSZACIVSA-N 385.537 3.637 0 40 GHAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCCCC1)c1ccc(F)cc1 8901213 DNOVAOLGIBBPAS-GOSISDBHSA-N 382.526 3.783 0 40 GHAB CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2Cl)CC1 9668731 UPFZFFJUQDCXJL-JXMROGBWSA-N 383.879 3.660 0 40 GHAB CCOc1ccccc1C(=O)NCC(=O)Nc1cccc(-c2csc(C)n2)c1 9751846 ZATJTRYIHDDEOM-UHFFFAOYSA-N 395.484 3.886 0 40 GHAB COc1ccc(S(=O)(=O)NCCCc2ccc(C)cc2)cc1Br 10110526 UHIIMRPYDBTONI-UHFFFAOYSA-N 398.322 3.677 0 40 GHAB COc1ccc(-c2cc(NC(=O)Cn3ccc4ccc(F)cc43)n(C)n2)cc1 12148615 MUHMFTPBOMFWLB-UHFFFAOYSA-N 378.407 3.828 0 40 GHAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)Cn2nc(C)c(C)c2C)cc1 12366626 UIAMEQAMHBNZPP-SQOUVECCSA-N 381.520 3.906 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nccs3)c2)cc1 12526472 WRIQDLWMERGNIF-UHFFFAOYSA-N 387.486 3.813 0 40 GHAB Cc1cccn2c(NC(=O)Cn3nnc4ccccc43)c(-c3ccccc3)nc12 12547252 IUPPGQRVMASOFM-UHFFFAOYSA-N 382.427 3.693 0 40 GHAB CC(C)(C)OC(=O)N1CCN(Cn2ccn(-c3cccc(F)c3)c2=S)CC1 12597734 GBWNJWZFJXWOCB-UHFFFAOYSA-N 392.500 3.658 0 40 GHAB COc1ccc(Br)cc1CN(C)Cc1nc(-c2ccco2)no1 12904944 GTHVWAQKDPKQRT-UHFFFAOYSA-N 378.226 3.733 0 40 GHAB Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 13495042 KOIBSWMZVGVBHD-UHFFFAOYSA-N 385.489 3.821 0 40 GHAB COc1ccc(OC)c2nc3c(cc12)CN(CCc1ccc(F)cc1)CCO3 13563832 WLIMSEGAYULZRB-UHFFFAOYSA-N 382.435 3.828 0 40 GHAB Cc1cc2cc(CNc3ccc(N4CCC[C@H](O)C4)cc3)c(=O)n(C)c2cc1C 13564241 VLEXCOWBYDUZMA-QFIPXVFZSA-N 391.515 3.729 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13685334 ZYSNBNOAASCDPK-INIZCTEOSA-N 392.455 3.622 0 40 GHAB Cc1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1ccccc1O)C3 14607722 YMEPDDMUMPNYDC-AWEZNQCLSA-N 388.402 3.857 0 40 GHAB CCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(C)cc4)no3)n2)cc1 16844826 XSICYCFMILJKEL-UHFFFAOYSA-N 388.427 3.716 0 40 GHAB CC(C)c1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 19454056 LRGAVFMOTZRCKH-MRXNPFEDSA-N 395.532 3.791 0 40 GHAB Cc1ccc(OCCNc2cc(Cn3c(C)nc4ccccc43)nc(N)n2)cc1 19655576 CPTCOGZOAYZGEJ-UHFFFAOYSA-N 388.475 3.565 0 40 GHAB CC(C)C(=O)N1CCC(Cc2ccc(-c3cccnc3)cc2)(C(=O)N(C)C)CC1 19700107 UBOYUMXHPHOGKV-UHFFFAOYSA-N 393.531 3.644 0 40 GHAB CCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 19706201 KFCQMNSAAZIBPI-IBGZPJMESA-N 379.508 3.596 0 40 GHAB CN(C)Cc1cc([C@H]2CCCN(C(=O)C3(c4ccccc4)CCCC3)C2)nn1C 19709038 CNODOVITHYZCSW-IBGZPJMESA-N 394.563 3.700 0 40 GHAB CCn1cc(CN2CCCCC[C@@H]3[C@@H]2C[C@@H](Cc2ccccc2)N3C(C)=O)cn1 19712888 OGLFXLSOGUQHTI-SMIHKQSGSA-N 394.563 3.880 0 40 GHAB Cn1cc(-c2cc(C(=O)NC(C)(C)CN3CCCCC3)c3ccccc3n2)cn1 19717665 WNERXIDJTMSLNB-UHFFFAOYSA-N 391.519 3.630 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)N[C@@H](C)c1ccc(Br)cc1 20030053 HZWYRGGXXJBHES-JTQLQIEISA-N 388.258 3.636 0 40 GHAB O=C(c1cc2cc(Cl)ccc2o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20621634 YDIHJDIYPDDFJO-UHFFFAOYSA-N 398.846 3.773 0 40 GHAB O=C(Cc1cccc2ccccc12)NC[C@H](c1cccs1)N1CCOCC1 22465321 ADADMIWEPSNETR-HXUWFJFHSA-N 380.513 3.634 0 40 GHAB O=C(Nc1ccccn1)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 22483480 LAXOIPMSDFVZIY-INIZCTEOSA-N 377.423 3.533 0 40 GHAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Cl)cc1Cl 25377181 OHXAAZRLRXAVOX-UHFFFAOYSA-N 384.263 3.577 0 40 GHAB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1CC(F)(F)F 27150367 LJANDXMVDBZKNN-NSHDSACASA-N 381.354 3.639 0 40 GHAB Cc1cc(=O)c(C(=O)NCc2cccs2)nn1-c1ccccc1C(F)(F)F 27626954 VFLMBNFMTMRUNK-UHFFFAOYSA-N 393.390 3.551 0 40 GHAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1Br 28188464 MWIMMDHGXQJSSZ-UHFFFAOYSA-N 378.251 3.833 0 40 GHAB CC1=C[C@@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1cccnc1 30881911 KMPPSWFCARBAMG-FKBYEOEOSA-N 397.563 3.811 0 40 GHAB biogenic,in-vitro CC1(C)Cc2cccc(OCCC(=O)NCc3cnn(-c4ccccc4)c3)c2O1 31537353 IFXWEGKHTVZBNM-UHFFFAOYSA-N 391.471 3.671 0 40 GHAB Cc1ccc(-c2nc(CSc3ccc(S(=O)(=O)N(C)C)cn3)cs2)o1 32328212 STJVSVQGVSQCTD-UHFFFAOYSA-N 395.531 3.649 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)C1=Cc2ccccc2CC1 32679681 UEXSEHCUDMCVQY-UHFFFAOYSA-N 385.485 3.597 0 40 GHAB COc1ccc(-n2nnc(-c3nsc(Nc4ccccc4OC)n3)c2C)cc1 33302106 AYIJNQABNTYYSG-UHFFFAOYSA-N 394.460 3.855 0 40 GHAB Cc1ccc(-c2cnn([C@H](C)C(=O)Nc3ccc(C)c(Cl)c3)c(=O)n2)cc1 33324605 MBUZSNCDWQNGEP-CQSZACIVSA-N 382.851 3.775 0 40 GHAB COc1ccc2c(C(=O)CN3CCN(c4cccc(C)c4)[C@@H](C)C3)c[nH]c2c1 35843139 MDDRJWIFXNOPNQ-KRWDZBQOSA-N 377.488 3.878 0 40 GHAB C[C@H]1c2cccn2CCN1C[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1 36398792 QXCAXSSGNYCGMS-RXVVDRJESA-N 390.483 3.536 0 40 GHAB COc1cccc(-n2nc(-c3nc(-c4ccncc4)no3)c3ccccc3c2=O)c1 38487619 BWOSFXSIGWOPFQ-UHFFFAOYSA-N 397.394 3.506 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38853687 JXDRVOSZGMXRFX-MRXNPFEDSA-N 386.879 3.962 0 40 GHAB Cc1ccc(Cc2cnc(NC(=O)C3CCN(c4ncccn4)CC3)s2)cc1 40130952 WJBQPNNACNVDSU-UHFFFAOYSA-N 393.516 3.687 0 40 GHAB Cc1nc(Cc2nc(-c3ccc(NS(C)(=O)=O)cc3)c(C)s2)cs1 46814895 AWQUMBJIKLGRHM-UHFFFAOYSA-N 379.532 3.846 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(-c2cn3c(n2)SCC3)c1 48984986 HAMGGEPASSJAOO-DJJJIMSYSA-N 393.468 3.823 0 40 GHAB CN(Cc1ccc(Cl)s1)C(=O)COc1ccc(N2CCCC2=O)cc1 52605577 ZMAHNTPMLJRORF-UHFFFAOYSA-N 378.881 3.566 0 40 GHAB CCc1c(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)cnn1-c1cccc(Cl)c1 54662254 JQYNOICZVBDXAN-CQSZACIVSA-N 399.882 3.799 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)N(Cc3ccncc3)C[C@H]3CCCO3)ccc12 57985594 IIFUHCIHOODKJD-GOSISDBHSA-N 393.443 3.710 0 40 GHAB Cn1ccnc1-c1cccc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)c1 58688841 FLKUVOCQNCYEFD-UHFFFAOYSA-N 377.444 3.775 0 40 GHAB CCOc1ccc(F)cc1NC(=O)CCc1nc2sc(C)c(C)c2c(=O)[nH]1 66747484 GZJPYZCGXBYKEC-UHFFFAOYSA-N 389.452 3.711 0 40 GHAB Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](Nc3ccccc3)C2)N2CCCC2)o1 67640323 FUYZIJKJLRWBDX-WOJBJXKFSA-N 382.508 3.621 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCC4CCOCC4)c(C)c3cc12 72325046 NMTMIRPKFRWJPE-UHFFFAOYSA-N 397.471 3.940 0 40 GHAB biogenic Cc1ccccc1-c1cncc(C2CCN(CC(=O)Nc3nccs3)CC2)n1 72359415 XOXVKKSVDCRTRX-UHFFFAOYSA-N 393.516 3.727 0 40 GHAB CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C2CCCC2)C1 72395912 GIKDJHUXVJZXAY-QHCPKHFHSA-N 381.520 3.997 0 40 GHAB CC(C)n1ccc2cc(C(=O)N3CCN(CCc4ccncc4)CC3)ccc21 79475540 MIWKEYRMFRTRKD-UHFFFAOYSA-N 376.504 3.618 0 40 GHAB COc1ccccc1OCCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 84240857 NMKVCUIETYPLGW-FQEVSTJZSA-N 385.460 3.663 0 40 GHAB CC(=O)N1c2ccc(S(=O)(=O)NCC3CCCCCCC3)cc2C[C@H]1C 84718082 QULCGTRWOYAPGX-OAHLLOKOSA-N 378.538 3.623 0 40 GHAB Cc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c(C)n1 89626756 GLTYBWVHAXVIBQ-UHFFFAOYSA-N 383.455 3.876 0 40 GHAB O=C(c1csc2cccc(Cl)c12)N1CCn2c(nnc2C(F)(F)F)C1 94993222 UGKLVVCLOGZKLB-UHFFFAOYSA-N 386.786 3.821 0 40 GHAB COc1cccc([C@@H]2CC(c3ccco3)=NN2S(=O)(=O)c2ccccc2)c1 95115899 KAAQWKPSMJIPKK-IBGZPJMESA-N 382.441 3.828 0 40 GHAB CC(C)[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)CCO1 95459326 QVYHYRIHPQTAAC-ZIFCJYIRSA-N 386.517 3.539 0 40 GHAB COCCn1c(C(=O)NCc2ccc(F)cc2F)cc2c1c1ccccc1n2C 96037230 LXQDWIOFQPVCTG-UHFFFAOYSA-N 397.425 3.988 0 40 GHAB O=S(=O)(c1ccccc1F)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 96119151 DOVICYPQULYTSX-GFCCVEGCSA-N 393.465 3.506 0 40 GHAB COc1ccc(NC(=O)c2nnn(Cc3ccccc3Cl)c2OC)c(C)c1 96183589 WPTOQFUPNOMDAV-UHFFFAOYSA-N 386.839 3.558 0 40 GHAB O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 100054261 XOLVWCSAOKQGPM-FCRVUTKVSA-N 386.234 3.953 0 40 GHAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccco3)C2=O)cc1 102758939 MBEIPAAIJONRMZ-PCCBWWKXSA-N 388.423 3.893 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 113940038 PCPOTPLUTPBHHX-CQSZACIVSA-N 380.897 3.750 0 40 GHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 222845188 HPAVQLKLZPAUPI-WOJBJXKFSA-N 377.517 3.707 0 40 GHAB Cc1ccc(N(C)C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C 222850359 HEVASEXODXFDPI-UHFFFAOYSA-N 388.533 3.586 0 40 GHAB CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(Br)cc1 224730476 RETQMFRGVCZEHT-UHFFFAOYSA-N 384.295 3.981 0 40 GHAB COc1ccc(CCCNC(=O)COc2cccc3c2CCCC3)cc1OC 225104163 NBIFAJUORDRDKN-UHFFFAOYSA-N 383.488 3.710 0 40 GHAB O=C(c1ccc(NC(=S)NCCCOC2CCCC2)cc1)N1CCCCC1 225620773 NBQCOFFJSQGUTJ-UHFFFAOYSA-N 389.565 3.948 0 40 GHAB CCN1C(=O)[C@@H](C(=O)N[C@@H](C)c2ccccc2)[C@H]2C[C@@]1(C)Oc1ccccc12 229946513 IBJXYVQUQVHMFM-IYTNZHEVSA-N 378.472 3.625 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)C1CN(c2cc(-c3ccccc3)ncn2)C1 245093482 RPQQXKSLIGGQKV-UHFFFAOYSA-N 392.890 3.592 0 40 GHAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 257234108 GSDKWGNWMAFUEI-INIZCTEOSA-N 398.470 3.510 0 40 GHAB Cc1ccccc1-c1nc2sc(=Cc3ccc(Cl)cc3Cl)c(=O)n2n1 263629638 GIGCXRLSBBPPQI-UHFFFAOYSA-N 388.279 3.981 0 40 GHAB O=S(=O)(Cc1noc2ccccc12)NCCc1ccc(-c2ccoc2)s1 390828132 ABKOBNQUCXBEBS-UHFFFAOYSA-N 388.470 3.811 0 40 GHAB CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C)cc2Cl)CC1 408629257 SNVIBMAMBJKBIE-UHFFFAOYSA-N 385.895 3.959 0 40 GHAB C[C@@H](C(=O)NC(C)(C)C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409027080 XCFBJAVGIPIEKN-HNNXBMFYSA-N 390.505 3.548 0 40 GHAB Cc1ccc(N2C(=O)CCC2=O)cc1NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 528380869 OOTCHCXDGPOPOJ-ZWKOTPCHSA-N 380.419 3.920 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)C1(c2ccccc2)CCOCC1 575611589 WXNWHTUZOSVEIZ-SFHVURJKSA-N 397.496 3.906 0 40 GHAB Cc1ccc(F)cc1C1(c2noc(-c3ccnc(O[C@H]4CCOC4)c3)n2)CC1 576386301 JNAZDQFIUWMIMB-INIZCTEOSA-N 381.407 3.827 0 40 GHAB Clc1ccc(CN2CCC(NCc3cccnc3-n3cccn3)CC2)cc1 580959194 QUPAQKAXGNFBQC-UHFFFAOYSA-N 381.911 3.675 0 40 GHAB COc1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3coc(C)n3)cc1)CCC2 585094142 IGOAQEKCQRJMIO-UHFFFAOYSA-N 384.457 3.800 0 40 GHAB O=C(c1ccsc1)N1CCC2(CC1)CN(C(=O)C1CC1)c1ccc(F)cc12 585103784 JSNQMFMOTCKQJK-UHFFFAOYSA-N 384.476 3.818 0 40 GHAB C[C@@H](CNC(=O)c1ccc(N2CCOCC2)c(F)c1)Oc1cccc(Cl)c1 607879187 GVDIBQOKLKNYAW-AWEZNQCLSA-N 392.858 3.513 0 40 GHAB Cc1cccc2c1OC[C@@H](NC(=O)N[C@@H](Cc1ccccc1)c1ncco1)C2 654568705 XXCAMXGMEPXWTB-OALUTQOASA-N 377.444 3.570 0 40 GHAB O=C(c1ccnn1C1CCOCC1)N1CCSC[C@@H]1c1ccc(Cl)cc1 668837602 RSHOLSWCMDMMRU-GOSISDBHSA-N 391.924 3.818 0 40 GHAB O=C(/C=C/c1cccs1)N1CC[C@H]2OCCC[C@@]2(COCc2ccncc2)C1 1565543124 YOKBFSPKOKMFLS-VZXQUVTFSA-N 398.528 3.771 0 40 GHAB CCCc1ccc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)o1 1615131191 SDKKKYNHAZFHNM-QFIPXVFZSA-N 386.467 3.769 0 40 GHAB CN(CC1CCN(c2cc(C3CCC3)ncn2)CC1)c1ncnc(C2CC2)c1F 1888888229 IDLVSNOCGSFYSB-UHFFFAOYSA-N 396.514 3.903 0 40 GHAB C[C@H]1CCc2c(sc3ncnc(N4CCN(Cc5cccc(O)c5)CC4)c23)C1 60349571 ZXXDTQVRCPPUGF-HNNXBMFYSA-N 394.544 3.844 0 40 GHAB Cn1c(COc2cccc3ccccc23)nnc1SCC(=O)NC1CCCC1 881570 QTBLLTPOBMIRGE-UHFFFAOYSA-N 396.516 3.698 0 40 GHAB COc1ccc(CCNC(=S)Nc2cc(OC)c(Cl)cc2OC)cc1 986455 AYWPOCZOMGEHOE-UHFFFAOYSA-N 380.897 3.895 0 40 GHAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3)c(=O)[nH]c2c1C 1359427 MRBDSSMAYHHTNP-NRFANRHFSA-N 390.483 3.966 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)c1 1379729 UHQHZHMQUKEOFU-GOSISDBHSA-N 383.448 3.647 0 40 GHAB COc1ccc(C(=S)N2CCN(c3ccc(Cl)cc3)CC2)cc1OC 1604144 LMUDZWZPRHHLNM-UHFFFAOYSA-N 376.909 3.855 0 40 GHAB CN(C)[C@H](CNC[C@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 22038818 JTOVVEPINSSAND-UKILVPOCSA-N 390.527 3.986 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1C 4167523 KVBNNVNPMDHCRA-UHFFFAOYSA-N 388.880 3.880 0 40 GHAB COc1ccc(OCc2nnc(Sc3ccc([N+](=O)[O-])cc3C=O)o2)cc1 7610260 PJBKOXMFPKZBJG-UHFFFAOYSA-N 387.373 3.529 0 40 GHAB Cc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)c1 876816 XDCYHBHRCATZBV-LWVPEANGSA-N 378.428 3.588 0 40 GHAB O=C(Nc1cccc(NC(=O)c2cccnc2N2CCCC2)c1)c1ccco1 23017201 HVNKYVOCDBWKEK-UHFFFAOYSA-N 376.416 3.779 0 40 GHAB CC(C)COC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 8816431 ZHPJWESWDHKUJX-CRAIPNDOSA-N 396.443 3.752 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C[C@H](O)COC(C)(C)C)CC2 24600999 KTNAMCPZFFKBAY-CVDCTZTESA-N 399.531 3.827 0 40 GHAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 9548707 RRGBUKJGTVHGDQ-CYBMUJFWSA-N 380.473 3.623 0 40 GHAB Cc1ccc(CNC(=O)c2cn(C3CCCCC3)c(=O)c3nnsc23)cc1 1417170 WVQGNIQAGOFDRZ-UHFFFAOYSA-N 382.489 3.597 0 40 GHAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 35267870 ARHAKOPKFTXTEX-UHFFFAOYSA-N 379.743 3.858 0 40 GHAB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(C)c1O 108233382 WHDQXKSFPLOLGE-YBEGLDIGSA-N 382.441 3.684 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 3292613 ABHDMRVBPVKILW-LBPRGKRZSA-N 395.440 3.535 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)c1nn(-c2ccccc2)c(C)cc1=O 26861607 OCHFCPQNDUGXGP-UHFFFAOYSA-N 387.892 3.918 0 40 GHAB CCc1ccc(C(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 12650879 ILEHFFFVNXXDQF-UHFFFAOYSA-N 377.473 3.654 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 57958642 JQRGRKKUIOSSJT-MSOLQXFVSA-N 395.400 3.732 0 40 GHAB Cc1cccc(C(=O)N[C@@H](N2C[C@H](C)O[C@@H](C)C2)C(Cl)(Cl)Cl)c1 100710777 MDEIAEITFZEIGS-HUBLWGQQSA-N 379.715 3.530 0 40 GHAB CCN(CC)c1ccc(C(=O)Nc2cccc(I)c2)cn1 58439280 XJNKEKSCLJOGOW-UHFFFAOYSA-N 395.244 3.785 0 40 GHAB O=C(COC(=O)c1ccccc1Cl)NCc1cccc(Br)c1 51356236 VGFFJBVTZVYSPF-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)c1ccc2c(c1)OCCCO2 44892641 NQNJODFLNJWPHI-UHFFFAOYSA-N 396.830 3.608 0 40 GHAB O=C(c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)N1CCCCC1 20462271 LGLNPVBWWXECEB-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20152763 ZGCPMBBEMPBAHA-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB CCn1c(SCC(=O)OC(C)(C)C)nc2ccc(Br)cc2c1=O 3373882 LJXZAADISVENJH-UHFFFAOYSA-N 399.310 3.613 0 40 GHAB Cc1c(C(=O)NCCn2c(C)nc3ccccc32)[nH]c2c1C(=O)CC(C)(C)C2 24477502 CRJUGIUGUXBSEQ-UHFFFAOYSA-N 378.476 3.566 0 40 GHAB CC(C)(C)c1noc(CCCC(=O)Nc2ccc(NC3CCOCC3)cc2)n1 58310130 SMOIWZDPRQLHRL-UHFFFAOYSA-N 386.496 3.919 0 40 GHAB O=C(NCCc1nc2c(s1)CCCC2)[C@@H]1COc2ccc(Cl)cc2C1 58330127 SOLAEMZQJQXACH-ZDUSSCGKSA-N 376.909 3.585 0 40 GHAB C[C@@H]1CCCC[C@H]1Nc1nnc(SCC(=O)NCc2ccccc2)s1 3337720 PTJUBCGQXGUQBK-UKRRQHHQSA-N 376.551 3.937 0 40 GHAB CC[C@H](NC(=O)c1ccc(-c2nnn[nH]2)cc1)c1ccc(Br)cc1 12760415 IGPOJKYCGXABOE-HNNXBMFYSA-N 386.253 3.510 0 40 GHAB O=C(/C=C/c1ccccc1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 2427662 LQOFQKCPXUXHBT-UFUQCMIWSA-N 389.904 3.569 0 40 GHAB CSc1ncc(Cl)c(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)n1 11572964 IEYMAHYJXPQYNY-UHFFFAOYSA-N 390.848 3.932 0 40 GHAB CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(OC(F)F)c(OC)c2)c1 46022524 FTPMHXVSYSODHT-UHFFFAOYSA-N 384.766 3.562 0 40 GHAB COc1ccc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)c(OC)c1OC 3403891 VSBGCRJFHZCOMX-UHFFFAOYSA-N 387.432 3.505 0 40 GHAB CSc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 3429148 DAMPJCDZOQXGGT-CQSZACIVSA-N 399.516 3.509 0 40 GHAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3nc(-c4ccco4)no3)C2=O)cc1 13010315 USSZHWAQEBVTFE-OAQYLSRUSA-N 394.431 3.594 0 40 GHAB C[C@H]1CN(C(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)C[C@H](C)O1 17327393 KQNOEXVPWAVVQB-HOTGVXAUSA-N 386.517 3.501 0 40 GHAB Cc1cccnc1NC(=O)c1cc(=O)c(OCc2ccccc2Cl)cn1C 49544040 YFOZPFKSPINXSS-UHFFFAOYSA-N 383.835 3.573 0 40 GHAB Cc1nnc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)o1 6128962 SCWUWUNQZVZMLF-UHFFFAOYSA-N 397.435 3.969 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 8649474 CACSSYHJYKGKIQ-CQSZACIVSA-N 393.443 3.629 0 40 GHAB Cc1ccc(N2C(=O)N(c3ccc(C)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 4393676 NLZDKFGNWVQPCC-MSOLQXFVSA-N 390.892 3.569 0 40 GHAB CC[C@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1Cc1ccccc1 5269055 UWOJEHCGQKXVJQ-INIZCTEOSA-N 388.471 3.534 0 40 GHAB Cc1cc(C)n2nc(S[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)nc2n1 4483858 KZWBIIAXPUSZSL-LLVKDONJSA-N 386.506 3.509 0 40 GHAB C[C@H]1CCCC[C@@]12NC(=O)N(CN(Cc1ccccc1)CC(F)(F)F)C2=O 14200331 BQXTXJKWSBFFLV-KBXCAEBGSA-N 383.414 3.509 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1 5676547 AIROLYFGTUDHSL-UHFFFAOYSA-N 390.530 3.855 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)CSc1ccc3ccccc3n1)OCO2 5627620 MTKQNZNXCFQWDR-UHFFFAOYSA-N 380.425 3.897 0 40 GHAB O=S(=O)(c1ccc2oc(Nc3cccc(F)c3)nc2c1)N1CCCCC1 6787486 AAWDGFDZYMQKQB-UHFFFAOYSA-N 375.425 3.885 0 40 GHAB COc1cccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(C)cc2)c1 4816453 CHHHBDZQZOWNPG-UHFFFAOYSA-N 399.454 3.958 0 40 GHAB c1ccc2cc(OCc3ccc(-c4nc5c6cn[nH]c6ncn5n4)o3)ccc2c1 6829946 XHRVODAGXNMSSH-UHFFFAOYSA-N 382.383 3.993 0 40 GHAB Cc1cccc(NC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)n1 8747529 SVNZSFRXSWDBLJ-GFCCVEGCSA-N 388.518 3.565 0 40 GHAB O=C(CCCSc1nc2ccccc2s1)Nc1ccc2[nH]c(=O)[nH]c2c1 15566958 LGJSXXUZCHZLNR-UHFFFAOYSA-N 384.486 3.977 0 40 GHAB CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(CC)cc2)c1 7496699 WDMIPQCGNPBIHW-UHFFFAOYSA-N 382.460 3.515 0 40 GHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1 409336408 SDJKFVUAORPCFF-LZYBPNLTSA-N 388.395 3.948 0 40 GHAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 68351896 RQJARZSAMVURIS-HOTGVXAUSA-N 386.835 3.920 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 7719292 BAVIOUNUNJEIIV-QGZVFWFLSA-N 388.467 3.969 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)c(C)c1 71327216 PEBVCRMGKSBWMM-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1n[nH]c2c1CCCCC2 96230727 MKFUGVVPHXLYFM-LJQANCHMSA-N 378.476 3.976 0 40 GHAB COc1ccc(N2C(=O)C[C@H](NCCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 19848350 KQEYEBRIWWCAEL-SXYIGIQMSA-N 382.504 3.523 0 40 GHAB O=C(c1cc2c(Cl)cccc2s1)N1CCn2c(nnc2C(F)(F)F)C1 72403218 RPXASEUVPPYEHD-UHFFFAOYSA-N 386.786 3.821 0 40 GHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N(CC(F)(F)F)c1ccncc1 95466382 DRNMWOFYRAZKLF-UHFFFAOYSA-N 384.301 3.858 0 40 GHAB CCOC(=O)c1c(NC(=O)c2cc(C3CC3)on2)sc(C(=O)CC)c1C 20572802 KAROUZWKRAAUCX-UHFFFAOYSA-N 376.434 3.944 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1 409380262 ASWCEMUCWMHUJP-INIZCTEOSA-N 382.485 3.941 0 40 GHAB Cc1[nH]nc(C(F)F)c1NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 503674114 WMVGKSKKVXOJDC-UHFFFAOYSA-N 387.268 3.977 0 40 GHAB CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)[C@H](c2ccccc2)C1 38312553 UJBPIJCFOOMAHW-INIZCTEOSA-N 385.316 3.671 0 40 GHAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C)c(Br)c2)NC(=S)N1 408604459 JJWQEKFMZCPRLE-HNNXBMFYSA-N 397.338 3.894 0 40 GHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(C(C)(C)C)ccc1O 408618033 BTOWDTGWUCHOQE-UHFFFAOYSA-N 388.489 3.834 0 40 GHAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC[C@](C)(c2ccccc2)CC1 513549785 YNOSQBZTOLXDEW-QFIPXVFZSA-N 390.491 3.946 0 40 GHAB CCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(=O)N(C)C)C1 72391074 YPENBMNTALRKJH-HSZRJFAPSA-N 382.479 3.752 0 40 GHAB CN(CCCNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccccc1 219425320 OVUWIMIXZGQBJP-UHFFFAOYSA-N 383.511 3.680 0 40 GHAB C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](n2ncc3ccccc32)C1 542825030 NTBXPQBHZDJEPF-CRAIPNDOSA-N 382.895 3.641 0 40 GHAB O=C(Nc1ccc(Cl)cn1)c1nnn(-c2ccccc2F)c1-c1ccncc1 670848150 XWTZXDRAORTNKE-UHFFFAOYSA-N 394.797 3.769 0 40 GHAB Cc1nnc2c(SCC(=O)Nc3ccc(Cl)cc3)nc3ccccc3n12 64948971 XXOUBKNSPZZNIZ-UHFFFAOYSA-N 383.864 3.970 0 40 GHAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc(F)c(Cl)c1 32106339 UHZJTUITORTMIE-HNNXBMFYSA-N 375.787 3.598 0 40 GHAB NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(CCc3ccccc3)C2)c1 72358518 HTHNGPXGMWBGAJ-OAQYLSRUSA-N 386.499 3.665 0 40 GHAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1F 72377131 UXTCHNJHMUVQPG-MRXNPFEDSA-N 397.479 3.997 0 40 GHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 223262184 JNMCWNVWAMEORQ-PMACEKPBSA-N 383.565 3.532 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1C 225422613 QIIREDBMJRJPAW-QFIPXVFZSA-N 396.531 3.880 0 40 GHAB CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CC 223052442 WCFLINIEHRKBRY-QFIPXVFZSA-N 396.531 3.579 0 40 GHAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1F 225396974 QJSRQAFREYFWDQ-UHFFFAOYSA-N 375.787 3.810 0 40 GHAB COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 224615897 MVUMPUYOMBPLGL-UHFFFAOYSA-N 376.261 3.836 0 40 GHAB O=C1CCCN1Cc1ccccc1CNC(=S)Nc1ccc(F)cc1F 45704388 ULKHJPKXFRNISB-UHFFFAOYSA-N 375.444 3.574 0 40 GHAB COc1cccc(OCCc2nnc(NC(=S)Nc3ccccc3)s2)c1 95116472 CMIGDWVJWSMSFQ-UHFFFAOYSA-N 386.502 3.977 0 40 GHAB CCc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3Cl)CC2)s1 96024863 FOJQXRHVMMHUDZ-UHFFFAOYSA-N 386.926 3.591 0 40 GHAB COc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1 98211351 DRXHVODSISQQLY-UHFFFAOYSA-N 388.427 3.530 0 40 GHAB CC(C)CCC[C@@]1(C)Oc2c(O)cccc2[C@H]2OC[C@@]3(CNCCO3)C[C@@H]21 257324846 WQLHDMNRNMQEAG-GWWHBBDRSA-N 375.509 3.806 0 40 GHAB CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2Cc3ccccc3C3(CCC3)C2)C1 585082225 HQZQXNUWZAOEIY-LJQANCHMSA-N 383.536 3.528 0 40 GHAB CN(C)[C@H](CNC(=O)NCc1coc(-c2cccs2)n1)c1cccs1 24529158 BIQSUGPKDHNUBW-CYBMUJFWSA-N 376.507 3.567 0 40 GHAB CC(=O)c1ccc(C(F)(F)F)nc1N1CCC(NC(=O)c2ccoc2C)CC1 663529624 HHJCXHHIHSJJMK-UHFFFAOYSA-N 395.381 3.603 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)N(Cc1ccoc1)Cc1cccs1 90612215 CQNZSIDRQQWNQJ-UHFFFAOYSA-N 397.499 3.580 0 40 GHAB COc1ncccc1CCNC(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 1616042763 AJMZYKBKKDPUAK-INIZCTEOSA-N 375.419 3.500 0 40 GHAB C[C@@H](NC(=O)NCc1ccc(CN2CCc3ccccc32)cc1)c1nccn1C 660333431 AETQCYHEMDPTBM-QGZVFWFLSA-N 389.503 3.543 0 40 GHAB Cc1nc(CN2C(=O)CC[C@@]23CCCN(CC2CC(F)(F)C2)CC3)cs1 585100822 YBZUWWTUOOPJJI-GOSISDBHSA-N 383.508 3.844 0 40 GHAB CC(C)c1noc([C@@H](C)N2CCN(CCOc3ccc(Cl)cc3)CC2)n1 44585337 RBUFJBHBRKCZBK-OAHLLOKOSA-N 378.904 3.604 0 40 GHAB CC(C)[C@H](NC(=O)c1c(Cl)nc2ccccn12)c1ccc2c(c1)OCCO2 45057314 QZROQNYPZJWWJI-KRWDZBQOSA-N 385.851 3.886 0 40 GHAB CN1CCCN(C(=O)CSc2ccc(F)cc2)c2nc3ccccc3nc21 57991485 NDROQDGUQVVQLK-UHFFFAOYSA-N 382.464 3.734 0 40 GHAB CC(C)Oc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)s1 84622077 LPJBVYUHWVPJOI-ZJUUUORDSA-N 383.461 3.655 0 40 GHAB CCn1c(=O)n(CC)c2cc(CN(Cc3sccc3C)C[C@H](C)O)ccc21 12185493 BTRULNSONGKSMJ-INIZCTEOSA-N 387.549 3.596 0 40 GHAB CCc1ccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 14397867 XPEISTHIVYKPNB-UHFFFAOYSA-N 378.469 3.573 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)C1CC1 15437833 HSBWHDIHTKVGIE-UHFFFAOYSA-N 384.379 3.855 0 40 GHAB Cc1cc(-c2cnc(NCCNC(=O)[C@@H]3C[C@H]3C)nc2-c2ccc(C)s2)on1 19217398 VNBKYXVGEIGHEY-BXUZGUMPSA-N 397.504 3.661 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1 19462978 XQQAUFJSHYMKFJ-NKNQFRNOSA-N 394.490 3.785 0 40 GHAB Cc1nc(C)c(C(=O)N[C@@H]2CCCc3c2cnn3Cc2cccc(Cl)c2)o1 19559385 WODCAHTXCMRCAP-QGZVFWFLSA-N 384.867 3.997 0 40 GHAB COc1cccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c1OC 19589262 UAIWAPLODGBVST-SFHLNBCPSA-N 398.478 3.545 0 40 GHAB Cc1ccc(-c2csnn2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 19661667 QUYCREPOABHXDZ-MRXNPFEDSA-N 392.484 3.814 0 40 GHAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@H](C)Cc3c(C)nn(C)c3C)c2)n1 19718335 DDFWVLIGMPTHQW-GFCCVEGCSA-N 399.926 3.854 0 40 GHAB CCc1c(C(=O)Nc2cccc(OC(F)(F)F)c2)cnn1-c1ccccn1 19910835 PUNLKJRFALYBFY-UHFFFAOYSA-N 376.338 3.981 0 40 GHAB COC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1 5334963 RPLIXJLOSMYVTO-MHWRWJLKSA-N 386.404 3.718 0 40 GHAB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(C)C)cc2)C1=O 6327018 QWBVUDFRDMRSBP-MFOYZWKCSA-N 391.489 3.957 0 40 GHAB CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1ccccc1F)c1ccccc1O2 12086483 KRQDLQKVUZKODH-XXBNENTESA-N 396.462 3.851 0 40 GHAB CC(C)c1[nH]c2ncccc2c1CN1CCN(C(=O)c2cccc(F)c2)CC1 19451514 ZKSSTXDFXVEDBW-UHFFFAOYSA-N 380.467 3.783 0 40 GHAB Clc1cc2c(cc1CN1CCC[C@@H]1c1nnc(-c3ccccn3)o1)OCO2 19403364 PYRMYGMMYKWDOB-OAHLLOKOSA-N 384.823 3.851 0 40 GHAB CCOc1ncccc1C(=O)OCC(=O)Nc1cc(C(C)(C)C)ccc1OC 3217125 ZDYGLLFSMVARMU-UHFFFAOYSA-N 386.448 3.582 0 40 GHAB CCN(C(=O)COC(=O)Cc1ccc(Br)cc1)c1ccccc1 3367914 RQECSKNRFZYRJK-UHFFFAOYSA-N 376.250 3.588 0 40 GHAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 3450082 LKQVSLMDEFPOHH-HXUWFJFHSA-N 386.835 3.518 0 40 GHAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)c(C)c2)oc(C)c1C(C)=O 6085132 XBIMBEWYTUQULD-UHFFFAOYSA-N 393.823 3.947 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1Cl 6328741 JBIVCNQIVBHHPV-XJKSGUPXSA-N 386.945 3.679 0 40 GHAB CCc1ccccc1NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 15192308 YKRUKWXPXYDMQK-UHFFFAOYSA-N 391.397 3.894 0 40 GHAB CCOc1ccc2nc(NC(=O)CCC(=O)OCC(F)(F)F)sc2c1 2491069 LNXVFHORJCDJOK-UHFFFAOYSA-N 376.356 3.519 0 40 GHAB COc1ccc(-c2nsc(SCC(=O)NCc3ccc(F)cc3)n2)cc1 3007386 PHQBMGRYCPFWIY-UHFFFAOYSA-N 389.477 3.761 0 40 GHAB COc1ccc(-c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3OC)cc2)nn1 5150716 DZPGWWXFTBTZGH-UHFFFAOYSA-N 399.472 3.578 0 40 GHAB CC1=CC(C)(C)N2C(=O)[C@]3(CN(C)C[C@H]3C(=O)c3cccs3)c3cccc1c32 1857657210 LXTWAQNGXDVFAZ-GAJHUEQPSA-N 392.524 3.973 0 40 GHAB COCCCN1C(=O)c2[nH]nc(-c3cccc(OC)c3)c2[C@H]1c1ccccc1 15920944 JEKGWTAEIRBEEI-OAQYLSRUSA-N 377.444 3.667 0 40 GHAB Cc1cc(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)c(C)o1 1889133972 XLBPBPOGWKDBLS-XJKSGUPXSA-N 379.382 3.661 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)N(Cc2ccsc2)Cc2ccccn2)cc1 44446121 AEBLMLXZVFMFCJ-UHFFFAOYSA-N 386.498 3.737 0 40 GHAB Cc1csc(C(=O)N2CCC(Oc3ncccc3Br)CC2)c1 96096987 SNRIKMVXZYUNCE-UHFFFAOYSA-N 381.295 3.898 0 40 GHAB CCn1c(S)nc2cc(C(=O)Nc3cc(Cl)ccc3OC)ccc2c1=O 102752022 FYNZXCKWWGXOJX-UHFFFAOYSA-N 389.864 3.619 0 40 GHAB Cc1c(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c(=O)n(-c2ccccc2)n1C 40094933 ALCIQMOHZKDPEF-LBPRGKRZSA-N 386.402 3.645 0 40 GHAB O=C(CCn1c(-c2ccccc2)cc2ccccc21)NCCCN1CCOCC1 40286920 PNCVPFBVERDPSW-UHFFFAOYSA-N 391.515 3.537 0 40 GHAB O=C(NCCc1cccs1)c1cc(Cl)ccc1I 32477964 OLELHJJMRBSCBD-UHFFFAOYSA-N 391.661 3.979 0 40 GHAB COc1ccccc1-n1cnnc1SCC(=O)N(c1ccccc1)C(C)C 2625690 HOVRSVWBJKDJHW-UHFFFAOYSA-N 382.489 3.810 0 40 GHAB COc1ccccc1CNC(=O)CCCOc1cccc(Br)c1 2633930 NBGPJSVAKGLUNH-UHFFFAOYSA-N 378.266 3.933 0 40 GHAB Cc1ccc(C(=O)N[C@H](C(=O)OCc2nnc(-c3ccccc3)o2)C(C)C)cc1 2644243 BUWRVHNOVUUTCN-IBGZPJMESA-N 393.443 3.543 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1OCC 12062475 OPWJXRJGXLTEGA-UHFFFAOYSA-N 383.404 3.795 0 40 GHAB COc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)c1 1343610 QQUFNPGWARLHCC-IBGZPJMESA-N 381.432 3.533 0 40 GHAB O=C(COc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1)c1ccc(F)cc1 4145793 XSVNMJMGBSKCFP-RWFYYTQISA-N 393.414 3.623 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1 645718 XGHYDSDPYZANEC-UHFFFAOYSA-N 387.438 3.817 0 40 GHAB Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccco2)cc1 4964651 MUNMMZHOFHXGEQ-KRWDZBQOSA-N 398.488 3.742 0 40 GHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1nc2ccccc2s1 22634386 HUWOGOQSTHPQKY-UHFFFAOYSA-N 386.473 3.657 0 40 GHAB COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCC(C)C)cc(Cl)c1O 728758 SVHKRDIJWTUUEY-MRXNPFEDSA-N 396.871 3.614 0 40 GHAB COc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 6622694 PUAKSDTUOHTHAK-AWEZNQCLSA-N 396.472 3.598 0 40 GHAB CCCOc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)CC)cc2)c1 6710589 PUTNAMLQJLESDN-UHFFFAOYSA-N 385.489 3.951 0 40 GHAB COc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc(OC)c1OC 7053892 VUZAXWZSVPFEFH-UHFFFAOYSA-N 391.367 3.532 0 40 GHAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@H]1c1cccs1 8324521 NQXFJOGMHQJNHR-KRWDZBQOSA-N 390.530 3.510 0 40 GHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1c(OC)cccc1OC 812076 VDPZESPCSDIERU-UHFFFAOYSA-N 396.399 3.810 0 40 GHAB Fc1ccc(-n2c(S)nnc2Cn2nc(C(F)F)cc2C(F)F)cc1 8782585 NCMSXTJNVPPWHW-UHFFFAOYSA-N 375.326 3.815 0 40 GHAB O=C(NC[C@@H]1Cc2ccccc2O1)Nc1cccc(COC[C@H]2CCCCO2)c1 47627229 LZXJMNDJRGQEGV-RTWAWAEBSA-N 396.487 3.898 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 101244361 DBSDEURTFPMJNX-WERVVEIQSA-N 392.971 3.584 0 40 GHAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc2ccccc2oc1=O 23880484 DELRUUFHJVYJBG-UHFFFAOYSA-N 383.354 3.810 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1 9694951 OUDLQGCGRXVZPG-CYBMUJFWSA-N 380.897 3.810 0 40 GHAB CCOc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)ccc1OCC(C)C 12535216 KHMCKIJKAIWVCR-IBGZPJMESA-N 379.464 3.566 0 40 GHAB Cc1cc(C)c([C@@H]2Nc3ccccc3C(=O)N2CCCN2CCOCC2)cc1C 24925994 ZVUHRGSCHAWQAA-HSZRJFAPSA-N 393.531 3.901 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3nc4nc(C)cc(C)n4n3)n2)c(C)c1 23686527 GIIUDDMBVFWLLE-UHFFFAOYSA-N 378.461 3.734 0 40 GHAB CC(C)(C)c1cnc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)o1 47937635 NZIWQUOIBXAYOO-UHFFFAOYSA-N 395.425 3.949 0 40 GHAB CC(=O)Nc1ccc(NCCn2c(=O)oc3ccccc32)c(C(F)(F)F)c1 25624171 ZPVROYZSRFBHBY-UHFFFAOYSA-N 379.338 3.684 0 40 GHAB CCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C1CCCCC1 3295369 LUQFFFFDKMLRCH-UHFFFAOYSA-N 392.565 3.964 0 40 GHAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2csc3ccccc23)C1=O 57837429 NSXWQRKCEQSJFN-AWEZNQCLSA-N 380.469 3.722 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)NCc2cn3cc(Cl)ccc3n2)cc1 48213988 GKFUBAYYHOWSFS-UHFFFAOYSA-N 399.926 3.829 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)c2ccccc2)cc1 10129227 OSRXWSQCLJVRTP-PXNSSMCTSA-N 388.533 3.565 0 40 GHAB CC1CCN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)CC1 10326082 BSLQNAQCQWCZKQ-QGZVFWFLSA-N 398.528 3.699 0 40 GHAB CCOc1ccccc1N1CCN(Cn2nc(-c3ccco3)oc2=S)CC1 58448490 JJZQOHKDKXPUKN-UHFFFAOYSA-N 386.477 3.644 0 40 GHAB Cc1cccc(N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)c1 27386133 UQXRWFYIVPGOFJ-HSZRJFAPSA-N 376.500 3.710 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)cc1 36358748 PPSNIBRIPWCGFL-UHFFFAOYSA-N 396.374 3.569 0 40 GHAB CSc1ccc(CN(C)C(=O)Cn2c(S)nnc2-c2cccs2)cc1 12785778 OWMWNBSPUKMTTH-UHFFFAOYSA-N 390.559 3.676 0 40 GHAB CC(C)N1C(=O)[C@@](O)(CC(=O)c2ccc(Br)cc2)c2ccccc21 2488739 LRGQCEPWQOKMBR-LJQANCHMSA-N 388.261 3.665 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)c12 45682740 IPSFXOSQTMWAQA-CHWSQXEVSA-N 397.431 3.738 0 40 GHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(CN(C)C)cc1 12890410 YCMLZMCVGGADGD-UHFFFAOYSA-N 397.500 3.893 0 40 GHAB NC(=O)CCn1c(SCc2ccc(-c3ccccc3)cc2)nnc1C1CC1 12810748 QEUQXMMBFQTHTB-UHFFFAOYSA-N 378.501 3.990 0 40 GHAB O=C(COC(=O)/C=C/c1cccc(Br)c1)Nc1ccc(Cl)cn1 3429465 LSYVNIKFWYGWGD-QPJJXVBHSA-N 395.640 3.693 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2cccc3c2OCCO3)cc1Cl 62580084 LGHZTAAJBRUUDU-UHFFFAOYSA-N 388.851 3.846 0 40 GHAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 12992081 YOSBFVWCMXZRPM-GFCCVEGCSA-N 388.443 3.698 0 40 GHAB O=C(CCNC(=O)c1cccs1)Nc1ccc(Br)cc1Cl 12974991 AARUXVXCPPIDTL-UHFFFAOYSA-N 387.686 3.923 0 40 GHAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(Br)cc1F 12975623 HEVOIWVNUBJWDE-UHFFFAOYSA-N 385.258 3.798 0 40 GHAB CN1CCCc2cc(NC(=O)N3CCC[C@@H]3C(=O)Nc3ccccc3)ccc21 64562197 HTEVENKTZOTFAW-HXUWFJFHSA-N 378.476 3.704 0 40 GHAB C[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)c1nc2ccccc2n1C(F)F 39976111 NUUIPVFRQCCDBV-GFCCVEGCSA-N 383.358 3.930 0 40 GHAB O=C(COC(=O)c1cc(Cl)nc(Cl)c1)NC12CC3CC(CC(C3)C1)C2 5560602 BVMGJFZWHJTEGZ-UHFFFAOYSA-N 383.275 3.630 0 40 GHAB Cc1cc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)nc2c(C)cccc12 5582895 DELVPJYLLQUYNJ-UHFFFAOYSA-N 397.475 3.838 0 40 GHAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc2c(ccc3ccccc32)s1 14505785 JXYBWIHMTDGUJU-GJZGRUSLSA-N 393.468 3.563 0 40 GHAB CSCC[C@@H](NC(=O)c1cnc2ccccc2n1)c1nc2ccccc2[nH]1 6657496 WPSYOMJRJJFVRT-QGZVFWFLSA-N 377.473 3.730 0 40 GHAB O=C(c1ccc(F)cc1)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1 6755739 BHPFESMHJFSRJR-UHFFFAOYSA-N 391.381 3.919 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1C)S2 6811777 MDXXYKRMPAUDMS-ZWKOTPCHSA-N 379.489 3.547 0 40 GHAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccccc1OC(F)F 5952744 WLCNBFHQUWVKNC-QGZVFWFLSA-N 388.370 3.616 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)c(C)c1 9237867 QXVLGDFOWSQLOJ-QZTJIDSGSA-N 379.489 3.601 0 40 GHAB COc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(OC)cc2)cc1 408940702 CUPCXSKYAGYZDO-UHFFFAOYSA-N 394.427 3.573 0 40 GHAB O=C(NCCCn1cnc2ccccc21)c1ccc(Cl)c(N2CCCC2=O)c1 9337977 ZIIFCPXAPBGLCQ-UHFFFAOYSA-N 396.878 3.637 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cc(C)ccc2OC)cc1 7736205 VKXZKQBYYQIPQD-KRWDZBQOSA-N 390.549 3.885 0 40 GHAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 20457774 DQCDJDWDMABWNB-HXUWFJFHSA-N 386.517 3.879 0 40 GHAB COc1cc2oc(=O)c(CC(=O)NCCc3ccsc3)c(C)c2cc1Cl 9304389 BUDBFSXVRPGWDH-UHFFFAOYSA-N 391.876 3.726 0 40 GHAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 16142985 ZKJGRGPBIYONJS-FQEVSTJZSA-N 398.890 3.586 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(OC(C)C)cc3)CC2=O)cc1C 408708166 OLJWCDAAEDRPHD-IBGZPJMESA-N 380.488 3.760 0 40 GHAB CCSc1nnc(NC(=O)CCCc2nc(-c3ccccc3)no2)s1 16706207 ZVGGLTHVUILEOV-UHFFFAOYSA-N 375.479 3.662 0 40 GHAB COc1ccccc1OCC(=O)Nc1nonc1-c1ccc2c(c1)CCCC2 9420047 FGSIKRWVHINBBE-UHFFFAOYSA-N 379.416 3.642 0 40 GHAB CC[C@H](C)[C@H](NC(=O)Nc1cc(NC(C)=O)ccc1C)C(=O)OC(C)(C)C 95440629 MAOQVKQFLYJPCO-SJCJKPOMSA-N 377.485 3.831 0 40 GHAB O=C(O)CN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 409144803 PEFMHTDZHDFYPM-VCHYOVAHSA-N 392.436 3.811 0 40 GHAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(Oc2ccnc3ccccc23)cc1 95959117 NDBRTYOHQJYGPE-OAHLLOKOSA-N 396.468 3.790 0 40 GHAB O=C(CNC(=O)c1ccccc1Cl)Nc1ccc2c(c1)OC1(CCCC1)O2 9909864 ZYCSHRPBYFKSQB-UHFFFAOYSA-N 386.835 3.750 0 40 GHAB Cc1cc(C)cc(-n2c(SCc3nnc(C)n3C)nc3ccccc3c2=O)c1 89585541 PGKDDLRPHIQZJF-UHFFFAOYSA-N 391.500 3.732 0 40 GHAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cccc(OC)c2OC)S1 408804819 ZNCGYJHABVWODG-UHFFFAOYSA-N 385.465 3.784 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1C[C@H]1c1ccco1 121787221 BWTAWYLSBSFHFG-KGLIPLIRSA-N 380.366 3.877 0 40 GHAB CC(=O)Nc1ccc(NC(=O)Cn2cc(-c3ccc(C)cc3)c(N(C)C)n2)cc1 62006987 VDXVHWKIPLEOSV-UHFFFAOYSA-N 391.475 3.522 0 40 GHAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(CN2CCCC2=O)cc1 30446940 VIHVUJVLNVCTGC-UHFFFAOYSA-N 388.467 3.771 0 40 GHAB CC(=O)N1CCN(c2ccc(Oc3ncccc3NC(=O)CC(C)C)cc2)CC1 72405690 ATTBBLUMSMPODQ-UHFFFAOYSA-N 396.491 3.527 0 40 GHAB Cc1cccc(OCCOCCOc2ccccc2/C=C2/SC(=N)NC2=O)c1 33419756 KOANSVHXJXTTCP-XMHGGMMESA-N 398.484 3.608 0 40 GHAB O=C(c1cncc(O)c1)N1CCC[C@@H](n2cnc3cc(C(F)(F)F)ccc32)C1 72342106 ZKKUUPBFOZTTHU-CQSZACIVSA-N 390.365 3.633 0 40 GHAB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(C)o3)C(=O)O)n[nH]2)c1 213371217 SMCRDJNZHHZNJQ-DHDCSXOGSA-N 387.417 3.608 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN(Cc3ccccc3)C1)CC2 48260761 JJHZHQDDLFGAMX-HXUWFJFHSA-N 394.515 3.501 0 40 GHAB COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223347459 QLEMXXGUWWADNW-OAQYLSRUSA-N 382.504 3.565 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 48017845 BLGNBKKFZRRIRJ-UHFFFAOYSA-N 397.475 3.703 0 40 GHAB Cc1nc(C(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4C)no3)C2)cs1 220789489 AKTRTYTYJYXYFQ-HNNXBMFYSA-N 382.489 3.905 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1cccc(CN2CCOCC2)c1 224739743 DHRPDZCZUFOCAL-QFIPXVFZSA-N 396.531 3.609 0 40 GHAB Cc1ccc(O[C@@H](Cc2ccc(I)cc2)C(=O)O)cc1C 225068904 TZALCTLTCZCLDH-INIZCTEOSA-N 396.224 3.983 0 40 GHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1cccc(C)c1 224090174 HJMQHRGLRPPLOT-LJQANCHMSA-N 398.572 3.824 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(Cl)ccc3C)c(C)cc21 223354442 PHWSPOPQMLZCEW-UHFFFAOYSA-N 380.853 3.685 0 40 GHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223888340 CUJSHAGSIYXJEG-JXFKEZNVSA-N 389.517 3.742 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1C 225419430 FBKBPGVGSLKPAM-MOPGFXCFSA-N 396.531 3.878 0 40 GHAB CC[C@H](NC(=S)Nc1cccc(OC)c1)c1ccc(S(C)(=O)=O)cc1 225722715 WIKOQHKBBSPSIT-KRWDZBQOSA-N 378.519 3.536 0 40 GHAB CCOc1ccc(CCC(=O)NCCOc2cccc(OC)c2)cc1OCC 224394625 YASRHFRUZYFSGP-UHFFFAOYSA-N 387.476 3.620 0 40 GHAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccncc1 224980795 GQDFSHBAFRHVFG-UYRXBGFRSA-N 377.469 3.539 0 40 GHAB C[C@H]1CN(Cc2csc(NC(=O)/C=C/c3ccccc3F)n2)C[C@@H](C)O1 40040104 DEISOAPRHQEXQD-CWZTWBIVSA-N 375.469 3.543 0 40 GHAB CCN(CC(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cc(C)ccc1C 225933561 GGHVRQYVZNULME-UHFFFAOYSA-N 394.924 3.915 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1cccc(N2CCCC2=O)c1 225584585 IEWKDNKPYXOCTB-GOSISDBHSA-N 388.581 3.754 0 40 GHAB CC(C)CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC(C)C)c1ccccc1O2 96243094 RNBPMJKOKQPCEX-GOSISDBHSA-N 386.536 3.875 0 40 GHAB O=C(Nc1ccc(OC(F)F)cn1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 582709603 JAGUEZAZRXPNEE-IKGGRYGDSA-N 389.402 3.719 0 40 GHAB CC(C)CCC[C@H](C)NC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 252517818 SFCNLHFNSUGWFK-FHWLQOOXSA-N 398.551 3.929 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)c1cnn(-c2ccccc2F)c1-n1cccc1 32061443 CDAZMDOBCHKTIA-UHFFFAOYSA-N 394.435 3.783 0 40 GHAB FC(F)(F)c1nc(-c2ccc([C@H]3CCCN(Cc4cscn4)C3)nc2)no1 585290733 VYXAHNDUYJZWQE-LBPRGKRZSA-N 395.410 3.987 0 40 GHAB Cc1ccccc1CN1CCN(C(=O)/C=C/c2ccccc2OC(F)F)CC1 36652176 UCTJTGWJDRTYTN-ZHACJKMWSA-N 386.442 3.954 0 40 GHAB COc1ccc(OC)c(NC(=O)CN[C@@H](C)c2ccccc2Br)c1 57312359 DBWBTDWPUIJGDT-LBPRGKRZSA-N 393.281 3.756 0 40 GHAB CSc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 72393224 SEALSHWZDSLZBA-KRWDZBQOSA-N 392.528 3.933 0 40 GHAB O=C(O)C[C@@H]1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)c2ccccc21 84579630 QBHUAXHVBMIIHO-ATWMFIQVSA-N 377.849 3.719 0 40 GHAB CCOC(=O)CN1C(=O)S/C(=C\c2c(OCC)ccc3ccccc23)C1=O 1157686 XBQVBULLIXTJHH-BOPFTXTBSA-N 385.441 3.838 0 40 GHAB CCn1c(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)nc2ccccc21 12116380 SDXDIYCAJXOLHQ-UHFFFAOYSA-N 380.467 3.728 0 40 GHAB COCc1ccc(C(=O)N2CCC[C@H]2[C@H](O)c2nc3ccccc3s2)s1 12183082 YZAVSMRFQWJVBB-YOEHRIQHSA-N 388.514 3.842 0 40 GHAB CC[C@H](C(=O)NC(C(C)C)C(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714385 HBTGIWMNGDTVPX-MRXNPFEDSA-N 388.961 3.681 0 40 GHAB Cc1nccn1C[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C 19287740 RYGJOUONLVUSTM-IITNATTFSA-N 394.563 3.697 0 40 GHAB CC(C)Oc1cccc(CN2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1 19450820 AGYZUKXYROATOO-GOSISDBHSA-N 390.487 3.609 0 40 GHAB C[C@@H]1CCCN(CCC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)C1 19496556 VLSBJEDRSOHLOX-QGZVFWFLSA-N 380.536 3.645 0 40 GHAB CCc1n[nH]c(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)c1C 19520921 FCGCTWZDWPPMJK-UHFFFAOYSA-N 396.520 3.522 0 40 GHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3F)C2=O)cc1 8157503 AKTVTRJMXJGQEU-MHWRWJLKSA-N 386.404 3.509 0 40 GHAB CC[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(S(C)(=O)=O)cc1 225723997 KGQZWJCZIJOHCY-HNNXBMFYSA-N 384.473 3.806 0 40 GHAB COc1ccc(COCC(=O)N[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)cn1 629144828 WSMUFZWYOAZPGR-GOSISDBHSA-N 399.878 3.935 0 40 GHAB CC(C)(C)n1cc(CNC2(Cc3ccc(F)cc3Cl)CCOCC2)nn1 549904178 APVODXOAKIFGDP-UHFFFAOYSA-N 380.895 3.707 0 40 GHAB O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc2c(c1)oc1ccccc12 1117102739 JIQIIUPFVBVFSV-UHFFFAOYSA-N 399.406 3.890 0 40 GHAB COc1ccccc1-n1nnnc1SCc1ccc(Br)cc1 15227091 YTSROSKGHQHDPD-UHFFFAOYSA-N 377.267 3.726 0 40 GHAB Cc1cc(C)c2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 4072508 VHPPKXMSYRCKKB-UHFFFAOYSA-N 379.441 3.819 0 40 GHAB COc1cccc(C(=O)N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)c1 4583522 GNEZYQUKSUBDCZ-UHFFFAOYSA-N 389.427 3.546 0 40 GHAB CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)c3ncsc23)cc1 7599117 RJCKVZHASACSBE-UHFFFAOYSA-N 380.878 3.534 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1 9137435 GYNQOAKOYDZCBC-UHFFFAOYSA-N 382.460 3.891 0 40 GHAB Cc1cc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)nn1C 11693830 AXTYFRGEPCNVPE-UHFFFAOYSA-N 377.857 3.553 0 40 GHAB CC(=O)c1cccc(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)c1 12440932 SXXLSTOPNYMULJ-UHFFFAOYSA-N 393.418 3.671 0 40 GHAB CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3nc(C)c(C)s3)n2)cc1 49059495 VZGLQZBKJQPVIL-CYBMUJFWSA-N 398.488 3.582 0 40 GHAB Cc1cccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc3nncn3c2)c1 49408232 RRZMTALXSLBQJU-UHFFFAOYSA-N 396.447 3.572 0 40 GHAB CN(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1)c1cc2ccccc2o1 575622544 ZSSPDOMJOYCREY-CQSZACIVSA-N 377.366 3.879 0 40 GHAB CN(C)CCOc1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1 40115911 FKDVWXIKTJTNJM-UHFFFAOYSA-N 395.547 3.543 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(OCc3nccn3C)cc2)c1 40119424 YCQIBLPFZHPDGB-HNNXBMFYSA-N 395.459 3.507 0 40 GHAB CC(C)OC(=O)C[C@H](NC(=O)CCn1cnc2ccccc21)c1ccccc1 31952927 ZDCDMSAYSHOORN-IBGZPJMESA-N 379.460 3.626 0 40 GHAB Cc1c(NC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)ccc(Br)c1Cl 101656892 YUJYDADCILGKBW-YEMRHBEMSA-N 384.657 3.547 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H]1CCSc2ccc(Cl)cc21 32423670 CCQPFKSHZULOPP-KRWDZBQOSA-N 399.903 3.712 0 40 GHAB CCc1ccc(OCCCn2c(CN3CCOCC3)nc3ccccc32)cc1 21785146 FHXZHVIYJLIUQL-UHFFFAOYSA-N 379.504 3.900 0 40 GHAB COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 32910434 RWGMKRXBRIEBQR-NWDGAFQWSA-N 385.441 3.556 0 40 GHAB COc1ccc([C@@H]2SCCN2S(=O)(=O)c2cc(OC)c(C)cc2C)cc1 629458 XBTJJRZKUWITEP-IBGZPJMESA-N 393.530 3.757 0 40 GHAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1 886947 YNKGPILLAHNPRB-UHFFFAOYSA-N 381.505 3.949 0 40 GHAB C[C@@H](C(=O)O)N1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O 2358032 OFXIOHNQQYTAGU-MFVBVHDHSA-N 383.425 3.775 0 40 GHAB O=C(CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1)NCc1ccccc1 2425491 MIALHLQCIHKELS-GMKZXUHWSA-N 396.506 3.810 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2nn(C)c3nc4c(C)cccc4cc23)c1 2429567 HBYCYEVCALXQHT-UHFFFAOYSA-N 376.416 3.699 0 40 GHAB O=C(N[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2)OCC1c2ccccc2-c2ccccc21 2583296 CGUNSQHMOYCPJU-VKTIVEEGSA-N 375.424 3.800 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)cc1 2795492 HMSQUZZHBDZOPV-SNVBAGLBSA-N 378.270 3.740 0 40 GHAB COc1ccccc1OCCC(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 3269967 SKPJBXVKSYTWSJ-UHFFFAOYSA-N 398.242 3.953 0 40 GHAB CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cc1ccccc1 3302835 KMXOMUMDCNIMDT-UHFFFAOYSA-N 386.395 3.593 0 40 GHAB O=C(OCc1ccccc1F)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3482430 OECRBJBNCPYBGH-UHFFFAOYSA-N 375.355 3.983 0 40 GHAB Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1C[C@@H]1CCCO1 3598770 RKHNVHKVYMYKOQ-SFHVURJKSA-N 381.428 3.652 0 40 GHAB O=c1cc(CSc2nc3ccccc3o2)nc2ccc(Br)cn12 3619901 TWMZWPOQWGTTPP-UHFFFAOYSA-N 388.246 3.891 0 40 GHAB COc1ccc(CCN(C)C(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1OC 4177254 NCIABWFZLZTAJL-NRFANRHFSA-N 396.531 3.617 0 40 GHAB Cc1cccc(OCCn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1 4386816 LBJTXFMBBXCWMJ-UHFFFAOYSA-N 389.455 3.989 0 40 GHAB Cc1cn2c(=O)c(C(=O)NC(c3ccccc3)c3ccccc3)cnc2s1 4505709 QTZJZPSZQQZOQY-UHFFFAOYSA-N 375.453 3.584 0 40 GHAB COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3ccco3)nc12 5256905 ONNOGTYBEPQOAJ-UHFFFAOYSA-N 379.869 3.760 0 40 GHAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccc(F)cc2)C1=O 5304375 CFBSUOGXUOXCDI-NRFANRHFSA-N 388.414 3.981 0 40 GHAB O=C(O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3 5864300 PIUVVIVQQOIZPQ-UHFFFAOYSA-N 392.889 3.766 0 40 GHAB O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)NC[C@@H]1CCCO1 5969165 MNNVWFNZNJDEBS-INIZCTEOSA-N 394.500 3.761 0 40 GHAB COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Br 6315615 RCVJKCHUEPOPQK-UHFFFAOYSA-N 382.279 3.599 0 40 GHAB COc1ccc(CC(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1OC 6566067 AYSRQSAAFAJBRI-SZVBFZGTSA-N 392.492 3.794 0 40 GHAB COc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)Nc3nnnn32)cc1 6662646 BYJSSNPRGKAJJW-JKSUJKDBSA-N 386.253 3.591 0 40 GHAB Cc1cc(N)nc(SCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)n1 7049354 CVTUCZURFVVFMT-SFHVURJKSA-N 378.501 3.560 0 40 GHAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8103076 XBQRVVMLPXEFIL-GFCCVEGCSA-N 394.422 3.918 0 40 GHAB COCCNCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 8469047 RNSKTQVPAUVXNW-UHFFFAOYSA-N 398.272 3.912 0 40 GHAB O=C(O)c1csc(S(=O)(=O)Nc2c3c(nc4ccccc24)CCCC3)c1 8746766 LJWCYKFSCXGXTM-UHFFFAOYSA-N 388.470 3.674 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810170 HOVCPUGLARBWSV-NSHDSACASA-N 384.860 3.808 0 40 GHAB CC[C@@H](C(=O)Nc1nc(-c2ccccc2)cs1)n1nnc2ccccc2c1=O 9025729 FYYLNQOOTOYGPV-KRWDZBQOSA-N 391.456 3.505 0 40 GHAB O=c1c(SCc2ccccc2Cl)nccn1-c1ccc2c(c1)OCCO2 9753191 DTLRNKFWGKWMEK-UHFFFAOYSA-N 386.860 3.949 0 40 GHAB O=C(Nc1nc(CC(=O)N2CCc3ccccc32)cs1)c1ccc(F)cc1 9816678 AKQGOOLLCBRHRM-UHFFFAOYSA-N 381.432 3.666 0 40 GHAB Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1Cl 11613862 KAOHRGHETCCJPQ-UHFFFAOYSA-N 385.316 3.813 0 40 GHAB Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)Cc3cccs3)CC2)n1 12117251 QYPRLFPNIVOPGN-UHFFFAOYSA-N 378.501 3.857 0 40 GHAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccc(Cl)c(Cl)c1)C2 12120671 CZSPVQNBAZCZME-UHFFFAOYSA-N 387.270 3.697 0 40 GHAB Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2c(Cl)cnn2C)cc1C 12145629 ILBNVIGRQLWNGG-KRWDZBQOSA-N 383.883 3.683 0 40 GHAB COc1ccc([C@@H](NC(=O)c2cnc(C(C)(C)C)nc2)c2ccncc2)cc1 12148488 YTPLBMIAZCPEKU-LJQANCHMSA-N 376.460 3.697 0 40 GHAB CS(=O)(=O)c1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1 12542820 ABPVZVSSTJMUGM-UHFFFAOYSA-N 388.470 3.728 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccccc2Cl)CC1 12748301 JZBZUVYAXRFIGC-UHFFFAOYSA-N 385.847 3.846 0 40 GHAB O=C(Nc1ccccc1)N1CCC(C(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 12853553 NTELTYSYZWTMAJ-OAHLLOKOSA-N 383.414 3.731 0 40 GHAB COc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12881548 LGPXHEHOMZNCAE-LJQANCHMSA-N 382.460 3.632 0 40 GHAB Cc1ccc2nc(C)cc(C(=O)OCC(=O)NC[C@@H](C)c3ccccc3)c2c1 13010891 CFKDKHDRCFELDX-MRXNPFEDSA-N 376.456 3.928 0 40 GHAB CCNC(=S)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 13042395 RSBUHGAKAYXMIC-KRWDZBQOSA-N 383.517 3.801 0 40 GHAB CCCCOc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1 13714415 QVNGCVFXVZDNEW-UHFFFAOYSA-N 396.487 3.519 0 40 GHAB CCc1ccccc1-n1ncc2c1NC(=O)C[C@H]2c1ccc(OC)cc1OC 14000904 MNBNZTFLFDSKLF-KRWDZBQOSA-N 377.444 3.926 0 40 GHAB CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 14085042 BZBFLZSUCQKPIK-CVEARBPZSA-N 389.517 3.860 0 40 GHAB Cc1ccc(SCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 15638873 YMBSGSZEDKWHRG-MRXNPFEDSA-N 384.501 3.635 0 40 GHAB COc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)c(OC)c1 15883243 VZYXDJAOMCMJBS-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB O=C(COc1ccccc1Cl)NC(=S)Nc1ccc(Cl)cc1C(=O)O 16450501 PSRUHQNMFXBODU-UHFFFAOYSA-N 399.255 3.584 0 40 GHAB CCOC(=O)c1ccoc1COC(=O)Cc1csc(-c2ccsc2)n1 19173378 JZKHZQFLNRLMPE-UHFFFAOYSA-N 377.443 3.927 0 40 GHAB Cc1cc(-c2cnc(NCCNC(=O)[C@@H]3C[C@@H]3C)nc2-c2ccc(C)s2)on1 19217400 VNBKYXVGEIGHEY-SMDDNHRTSA-N 397.504 3.661 0 40 GHAB Cc1cccc(CC(=O)N2CCC[C@@H]2Cn2nc(-c3cccs3)ccc2=O)c1 19234773 HXODHPYHPBWWHX-GOSISDBHSA-N 393.512 3.514 0 40 GHAB CN(CCc1ccccn1)c1ncc(-c2cccc(F)c2)c(-c2nccn2C)n1 19291576 DWYXRXBJCGKWKW-UHFFFAOYSA-N 388.450 3.757 0 40 GHAB O=C(CCn1ccnc1-c1ccccc1)N1CCCC[C@H]1CCN1CCCC1 19374402 MBWILLBINFCWSR-NRFANRHFSA-N 380.536 3.807 0 40 GHAB Cc1ccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)cc1C 19889772 FJKJJULTPWXOCX-RMKNXTFCSA-N 377.532 3.963 0 40 GHAB C[C@H]1CN(CC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)C[C@H](C)O1 19912488 CPTWKORZEYYJSJ-HOTGVXAUSA-N 395.528 3.935 0 40 GHAB CCN1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(C)cc23)CC1 20381909 JNZVFNFLCMITPF-UHFFFAOYSA-N 395.528 3.518 0 40 GHAB O=C(O)[C@H](c1c[nH]c2ccc(Cl)cc12)N1CCN(Cc2ccccc2)CC1 20677489 SVPRMEZERUZPMJ-FQEVSTJZSA-N 383.879 3.765 0 40 GHAB O=c1c2nc(N3CCCC3)sc2c(-c2ccco2)nn1Cc1ccccc1F 23109010 OJMKTRCEFZQQHC-UHFFFAOYSA-N 396.447 3.901 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 23140230 WZSPKYITRQTCEU-CYBMUJFWSA-N 383.429 3.547 0 40 GHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 23507179 MTJSWPYZOLJZPH-UONOGXRCSA-N 376.403 3.799 0 40 GHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1csc(-c2ccccc2)n1 23763735 DJAKIPXHXQMOGT-UHFFFAOYSA-N 385.533 3.575 0 40 GHAB CCc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)sc1C 23981460 RPZOJMZUXPPUPO-SFHVURJKSA-N 376.497 3.561 0 40 GHAB CCn1nnc2cc(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)ccc21 24695868 OBUHNJHPIRBZJZ-HNNXBMFYSA-N 375.432 3.612 0 40 GHAB O=C(CSc1nnc2ccccn12)Nc1ccc2c(c1)OC1(CCCC1)O2 25042079 YHLDJJATKQDNCY-UHFFFAOYSA-N 382.445 3.502 0 40 GHAB CN(C)[C@H](CNC(=O)Cc1csc(-c2cccs2)n1)c1ccsc1 25330847 PGVKBYICCCWSTD-CQSZACIVSA-N 377.560 3.895 0 40 GHAB Cc1nn(CC(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1Br 28576970 CXBKYVMQMOOOSP-UHFFFAOYSA-N 390.203 3.598 0 40 GHAB CCn1cc(-c2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)o2)cn1 32604052 AJHDBFVLNVINFY-UHFFFAOYSA-N 398.275 3.991 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3cc(C)on3)cc2)c1 32781006 OJVSVYFBKRXINT-UHFFFAOYSA-N 386.429 3.620 0 40 GHAB C[C@H](NC(=O)c1ccccc1SCC(N)=O)c1ccc(OC(F)(F)F)cc1 32817062 CUXMWFIHGJKIQY-NSHDSACASA-N 398.406 3.654 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)NC[C@H]1CCN(C2CC2)C1 32912672 MPIDOHLZRCOOSP-LJQANCHMSA-N 377.532 3.992 0 40 GHAB Cc1cc(C(=O)Nc2ccc3c(c2)OCCCO3)c(C)n1Cc1ccccn1 32991978 ZAVNCLNJIJOSNP-UHFFFAOYSA-N 377.444 3.962 0 40 GHAB O=C(COc1ccccc1F)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 36359742 FKPAGSYGCVLHRE-UHFFFAOYSA-N 379.347 3.752 0 40 GHAB Cc1cccc(Nn2c(N)nn(CC(=O)c3ccc(F)c(Cl)c3)c2=S)c1 36625691 PRKPXHSENBQPBL-UHFFFAOYSA-N 391.859 3.855 0 40 GHAB Cc1nnsc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(C)ccc(C)c2s1 38840289 ZMOQBYMODXMPTM-ZDUSSCGKSA-N 388.518 3.899 0 40 GHAB Cc1ccccc1Cc1cnc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)s1 40111731 YZTWXXOAWWEOOE-KRWDZBQOSA-N 393.516 3.687 0 40 GHAB COc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H]2c2ccsc2)n1 40154233 NVXCJHOXOZOQJN-OAHLLOKOSA-N 382.493 3.605 0 40 GHAB O=C(NCCOc1ccc(Cl)cc1)Nc1ccc(-c2nnnn2C2CC2)cc1 44016616 GSKMGQZNPXKECB-UHFFFAOYSA-N 398.854 3.529 0 40 GHAB CN1CCN(c2ccc(NC(=O)c3cc(F)cc(F)c3)c(C(F)(F)F)c2)CC1 44796507 HBSJGEADMLFMFX-UHFFFAOYSA-N 399.363 3.988 0 40 GHAB COC(=O)[C@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)ccc4o3)c2C)C1 45887250 WRJPTXUZRIHHJW-LBPRGKRZSA-N 384.819 3.983 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(F)ccc1F 46419318 RPAJVHJNRMTCQK-INIZCTEOSA-N 394.805 3.870 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)Nc1cc(F)c(N2CCCC2)c(F)c1 47860594 UVRRHGZOERMJCU-UHFFFAOYSA-N 375.375 3.615 0 40 GHAB C[C@H](NC(=O)CN1CCC(N2CCCCC2)CC1)c1ccc2ccccc2c1 52002162 MZYCDBWYAPSROD-IBGZPJMESA-N 379.548 3.967 0 40 GHAB COc1ccc(-c2nc(C(=O)OCCc3c[nH]nc3C(F)(F)F)cs2)cc1 56230895 XLBSMDAXTAZERH-UHFFFAOYSA-N 397.378 3.960 0 40 GHAB C[C@@H](CNC(=O)Nc1cccc(Oc2cnccn2)c1)N(C)c1ccccc1 58086273 JYSHNRRFWMMNSA-INIZCTEOSA-N 377.448 3.915 0 40 GHAB CCOC(=O)Nc1cccc(NC(=O)Cc2c(C)nn(C(F)F)c2C)c1C 65557336 KKJJSMRDWLNPSB-UHFFFAOYSA-N 380.395 3.953 0 40 GHAB COc1cccc(N2C(=O)C[C@@H](c3ccc(F)cc3)c3sc(=O)n(C)c32)c1 66089865 AUTOHTYGVIJHBP-INIZCTEOSA-N 384.432 3.795 0 40 GHAB CCOC(=O)N1CCN(c2[nH]c3cccc4c3c2-c2ccccc2C4=O)CC1 66091784 NHJDGPGCNZPLNJ-UHFFFAOYSA-N 375.428 3.658 0 40 GHAB Cc1cc(-c2cncnc2)cc([C@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1 72353664 PZVCGVXOXAHBGW-INIZCTEOSA-N 390.491 3.713 0 40 GHAB CCOC(=O)C1(Cc2cc(-c3cccc(C)c3)no2)CCN(C(=O)C2CC2)CC1 72394007 FRRSHKSSXQVLSF-UHFFFAOYSA-N 396.487 3.774 0 40 GHAB CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C12CCCCC2 76042169 UAXACSBJXKBQSS-KZNAEPCWSA-N 378.557 3.515 0 40 GHAB COc1ccccc1NC(=O)COc1ncnc2sc3c(c12)CCCCC3 89481739 LNNLCXYFXSNDRO-UHFFFAOYSA-N 383.473 3.986 0 40 GHAB Cc1cccc([C@H]2CC(c3cccc(Br)c3)=NN2S(C)(=O)=O)c1 89669362 XRSUCUZPODAACI-QGZVFWFLSA-N 393.306 3.868 0 40 GHAB CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(OC)cc1F 89977229 RLASQNUKLWHPLS-QGZVFWFLSA-N 386.467 3.667 0 40 GHAB CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 95406049 JYLOSAYDLFTCDR-NHCUHLMSSA-N 398.551 3.793 0 40 GHAB COc1cccc(-c2nc(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cs2)c1 95474822 CNNRQIKPUSMCRS-IIBYNOLFSA-N 386.517 3.515 0 40 GHAB Ic1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 95836313 ATOHHWPFMDSPNT-UHFFFAOYSA-N 392.284 3.609 0 40 GHAB C[C@]1(C(=O)Nc2ccc(Cc3nnc4ccccn34)cc2)CC1(Cl)Cl 95957290 VOCRUZFIKOEDJG-QGZVFWFLSA-N 375.259 3.843 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)Cc1ccc([S@@](C)=O)cc1 95963972 FNLOUAGMIYTKDX-MHZLTWQESA-N 382.485 3.589 0 40 GHAB O=S(=O)(Cc1ccc(F)cc1)NCc1cc(C2CC2)n(C2CCCC2)n1 96104102 WSKUJBAHNGOFAB-UHFFFAOYSA-N 377.485 3.634 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc21 96321929 URFCCKPYEKNSRG-UHFFFAOYSA-N 396.921 3.605 0 40 GHAB Cc1ccc(-c2nc(NC(=O)c3cn(Cc4cccnc4)nn3)sc2C)s1 97009822 QYQONZMVEBMEIG-UHFFFAOYSA-N 396.501 3.776 0 40 GHAB Cc1cnccc1CN1[C@H]2CC[C@H]1CC(O)(Cn1c(C)cc3ccncc31)C2 100146071 BWTYKCHTJNRSOZ-SFTDATJTSA-N 376.504 3.606 0 40 GHAB CCc1noc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 100155982 UJZKRDOXQGADMC-GASCZTMLSA-N 395.463 3.694 0 40 GHAB O=C(O)[C@H]1C2C[C@H]3C[C@H](C2)CC1(n1ncc(Nc2ccccc2)c(Cl)c1=O)C3 101092897 NJFDYXSROPTPFM-BPHPSJDDSA-N 399.878 3.876 0 40 GHAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)NCc1cccc(C(F)(F)F)c1)(C3)C2 103074612 AEIZZSXIVOWYIL-JZFKGDSASA-N 394.437 3.797 0 40 GHAB CCOc1cccc(NC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)c1 113950114 AIOCEPLKRCWEOT-IBGZPJMESA-N 390.505 3.577 0 40 GHAB O=C(COc1ccc2ccccc2c1)N1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 169313259 NAZVMRKYJCRHEF-VLCRHTCISA-N 376.500 3.575 0 40 GHAB Cc1cc(O[C@@H]2CCN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)cc(=O)o1 206965251 OSJONMFCOQPXQP-MRXNPFEDSA-N 395.377 3.580 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220136363 UPYFRUSFPWBWAU-MRXNPFEDSA-N 390.505 3.575 0 40 GHAB CC[C@H](C(=O)NC(C(C)C)C(C)C)N(c1cc(C)ccc1C)S(C)(=O)=O 220536285 INJMTBKPMKWNRX-QGZVFWFLSA-N 382.570 3.645 0 40 GHAB CCc1ccc(O[C@@H](CC)C(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1 222901082 NLDMDLXRQVYVKH-IBGZPJMESA-N 395.459 3.781 0 40 GHAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 222908886 WONLZGWCKMMDFA-VQTJNVASSA-N 377.517 3.896 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223060756 ZQQNIFYLQKRRDB-KRWDZBQOSA-N 382.504 3.570 0 40 GHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC 223261939 NIJHPUAPCHEWEE-NRFANRHFSA-N 382.504 3.571 0 40 GHAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccccc1F 225739083 IMVBSAMSJADTCZ-UHFFFAOYSA-N 375.197 3.542 0 40 GHAB C/C(=C\c1ccccc1)C(=O)NCc1nnc2ccc(-c3cccs3)nn12 225764516 UACQMTDWNLOPPR-WYMLVPIESA-N 375.457 3.573 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc21 225865659 FOUOTAZFTYVXPQ-AWEZNQCLSA-N 397.500 3.615 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 239808068 KFQHJGUXFCKPET-LJQANCHMSA-N 380.469 3.689 0 40 GHAB O=C(CN1CCCC1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257265931 MAXPVUFLLPLWKI-QGZVFWFLSA-N 387.911 3.721 0 40 GHAB Cc1nccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)n1 257303882 SJDUGCFKOFVYAY-INIZCTEOSA-N 380.423 3.523 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 260764068 JNZYAWPNTJIPJD-XRMCUDCUSA-N 396.512 3.832 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)NCCc2ccc(-c3ccoc3)s2)c1 390832321 YQEPJLMGQXADNM-UHFFFAOYSA-N 393.486 3.546 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408648168 JSDWCNWQRUCGNV-GOEBONIOSA-N 385.847 3.816 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 409407831 AFYZXMZCFXXDMD-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB CN(C)c1ncn(-c2cccc(NC(=O)[C@H]3C[C@]34CCCc3ccccc34)c2)n1 506119858 BAPQLJAMLAHQQS-OFNKIYASSA-N 387.487 3.566 0 40 GHAB O=S(=O)(Nc1ccccc1O[C@@H]1CCOC1)c1csc2ccccc12 507969938 YKDVUIWGBPTVGW-CYBMUJFWSA-N 375.471 3.870 0 40 GHAB CN(Cc1ccccc1NC(=O)N[C@]12C[C@H]1COC2(C)C)C(=O)c1cccs1 528987399 BZKIDAUNZFKHBD-YCRPNKLZSA-N 399.516 3.709 0 40 GHAB CC[C@@H](NC(=O)N1CCc2ccccc21)[C@@H](c1ccc(C)cc1)n1cncn1 535218575 FUIIWTDLDUAZNJ-TZIWHRDSSA-N 375.476 3.727 0 40 GHAB O=C(c1ccnc(-n2cccn2)c1)N1CCC([C@@H](F)c2ccccc2F)CC1 568306240 VSSDVJKYTDQDLV-HXUWFJFHSA-N 382.414 3.969 0 40 GHAB CC1(C)C[C@@H]2CN(C(=O)CCN3CCCCC3)CC[C@@H]2N1c1cccc(F)c1 2037978406 VAXMYQHEIDHRSR-NQIIRXRSSA-N 387.543 3.908 0 40 GHAB Cc1ncsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)OCC(C)C)CC1 2056225832 CROVRLJUKKCKMZ-QGZVFWFLSA-N 393.553 3.951 0 40 GHAB COc1ccc(-c2noc(CCCC(=O)Nc3cccc(F)c3)n2)cc1OC 33000156 LWUYJFXRBFIXCL-UHFFFAOYSA-N 385.395 3.854 0 40 GHAB CCc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 60756819 MPYZCCIWGTUERR-NRFANRHFSA-N 394.496 3.907 0 40 GHAB C[C@H]1CCN(C(=O)COC(=O)c2cccc(N(C)C)c2)c2ccccc2S1 4506001 GGLGNLSAVORLMV-HNNXBMFYSA-N 384.501 3.827 0 40 GHAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1cccnc1Cl 4766901 CCUYHSKFZSUWDN-UHFFFAOYSA-N 395.029 3.886 0 40 GHAB CCCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 6396441 XMIJNZJXYQHNQG-RYUDHWBXSA-N 381.494 3.720 0 40 GHAB COC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(C)cc3)no2)c1 7605463 XAOOSQPJOVLRGM-UHFFFAOYSA-N 383.429 3.562 0 40 GHAB CN(C)c1nc(NC(C)(C)C)nc(SCC(=O)Nc2ccc(Cl)cc2)n1 804341 JNOATQSFQMAUTQ-UHFFFAOYSA-N 394.932 3.532 0 40 GHAB COc1ccc(-c2cc(C(=O)NCCc3c[nH]c4ccc(F)cc34)on2)cc1 12371013 RNFBQTMQCZQKBA-UHFFFAOYSA-N 379.391 3.943 0 40 GHAB O=C(CCN1CCOC1=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 55160822 HPJRCODBJLMIQB-UHFFFAOYSA-N 399.394 3.534 0 40 GHAB COc1cccc(CSc2nc3c(=O)[nH]cnc3n2-c2ccc(C)cc2)c1 12462160 VXPFXXTZSHHVOO-UHFFFAOYSA-N 378.457 3.718 0 40 GHAB biogenic,in-vitro COc1ccc(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)c2C)cc1 1403850 ZMQWEVLSYRPEOG-UHFFFAOYSA-N 377.322 3.714 0 40 GHAB C[C@@H](CCc1ccco1)NC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 25390298 RCAJPBMVGLHPAZ-LBPRGKRZSA-N 390.896 3.618 0 40 GHAB CN(CCO)c1ccc2c3c(cccc13)C(=O)N(c1ccc(Cl)cc1)C2=O 1515718 OHLLSAHXAAFTRL-UHFFFAOYSA-N 380.831 3.722 0 40 GHAB CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc1 56646897 OYTLQMKGNOEKLW-HRCADAONSA-N 376.501 3.743 0 40 GHAB COc1ccc(-c2cc(CN3CCN(c4ccccc4OC)CC3)on2)cc1 57352306 NUUCAMXUXHMHCY-UHFFFAOYSA-N 379.460 3.681 0 40 GHAB C[C@H](NC(=O)c1ccc(COc2ccccc2)o1)c1ccc(-n2cncn2)cc1 12593502 MTWBZXOCPDBFBN-INIZCTEOSA-N 388.427 3.930 0 40 GHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(/Sc1nc2ccccc2[nH]1)C(=O)O 50548060 AYFSFRKJWDXQAJ-SWEABUAFSA-N 392.440 3.662 0 40 GHAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCCc2ccccc21 3246975 SIDFXNOOVBFJCU-UHFFFAOYSA-N 379.243 3.712 0 40 GHAB CN(C)CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 10312668 OKTXVKJKGRYGJJ-UHFFFAOYSA-N 387.483 3.897 0 40 GHAB COC(=O)C1(NC(=O)c2cc(-c3ccccc3Cl)on2)CCC(C)CC1 58413929 XHLNNYNLRASQEH-UHFFFAOYSA-N 376.840 3.847 0 40 GHAB O=C(NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)c1ccc(F)cc1 25214132 JFMZDSPSJJSHDV-UHFFFAOYSA-N 391.446 3.651 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccc(C)cc1 20798491 OOQCUXZZVPRUHM-IBGZPJMESA-N 392.455 3.824 0 40 GHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)C1CC1 12604739 XXTYMDCUPOIVJR-UHFFFAOYSA-N 395.278 3.598 0 40 GHAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)c(NCc3ccccc3)oc2n(C)c1=O 11615599 UWKBJJJFHBLUDL-UHFFFAOYSA-N 395.846 3.763 0 40 GHAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)CC1=O 3341799 IKHXPJYQEPZGIV-CABCVRRESA-N 380.444 3.920 0 40 GHAB Cc1cccc(OCCCC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c1 12793839 LOSKSDFXNLHCBM-GOSISDBHSA-N 378.476 3.603 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 409197145 WXZHRWUBQIPECT-UHFFFAOYSA-N 394.924 3.906 0 40 GHAB Cc1cccc(C)c1OCc1nnc(SCC(=O)NC2CCCCC2)o1 409169517 RIWIEJIPGWCMAQ-UHFFFAOYSA-N 375.494 3.806 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 12999684 VPNMOCPSQYCQEY-ZDUSSCGKSA-N 394.406 3.600 0 40 GHAB C[C@@H](C(=O)NCCC1=CCCCC1)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 49581069 SUUXLLBBSOHMBH-ROUUACIJSA-N 381.524 3.655 0 40 GHAB CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1 4120603 HEMICPIAVHEODR-NTEUORMPSA-N 377.488 3.787 0 40 GHAB CC(=O)c1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 6154027 KAYPYRGLYHVOCP-UHFFFAOYSA-N 395.484 3.637 0 40 GHAB O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1ccc(F)cc1F 5249131 UPLVHJXMZPGMEW-UHFFFAOYSA-N 399.220 3.729 0 40 GHAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc(C)cc3Cl)c(C)n2n1 5278719 FPCUWHWESYSTLP-UHFFFAOYSA-N 389.912 3.996 0 40 GHAB CC(C)(C)NC(=O)COc1ccc(CNCCc2c[nH]c3ccccc23)cc1 4488635 VJNYTQUYMMSCIU-UHFFFAOYSA-N 379.504 3.794 0 40 GHAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cc(=O)c2c1 28293012 OPJWEIFSBHQBNR-HXUWFJFHSA-N 390.483 3.977 0 40 GHAB CCOc1cc2c(cc1CNCc1cc(OC)c(OC)c(OC)c1)O[C@@H](C)C2 65552529 HQOXEJSMYXUDNT-AWEZNQCLSA-N 387.476 3.724 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 14184426 RDSCZMNOIPGDEK-UHFFFAOYSA-N 383.379 3.624 0 40 GHAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)C1(c2ccccc2)CCCC1 20153543 MCGIWJWDDLRJSQ-UHFFFAOYSA-N 398.484 3.718 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1Cc1ccccc1 6508701 LVFZNXYOPPSDQY-UHFFFAOYSA-N 385.471 3.903 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)NCCOc1ccccc1-c1ccccc1 66028749 QNHJSOQIWLWOMY-UHFFFAOYSA-N 398.462 3.975 0 40 GHAB COc1cc(C(=O)NCCOc2ccc3ccccc3c2)cc(OC)c1OC 14701641 YNPJFWMXLZPSFH-UHFFFAOYSA-N 381.428 3.674 0 40 GHAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1 4816622 XEQVCSZVGKRZLM-RTBURBONSA-N 380.423 3.903 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)c2ccc[nH]2)nc2ccccc2c1=O 6886999 WKMPROLXVYXPBV-UHFFFAOYSA-N 375.453 3.997 0 40 GHAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1ccncc1)C(=O)OC2 96115803 OKVUWBZJOIJFNC-YIXHJXPBSA-N 396.443 3.682 0 40 GHAB biogenic Cc1nc2ccccc2c(=O)n1CC(=O)N1CC[C@H](C)Sc2ccccc21 7391039 IHFPGWXTQFXWLB-AWEZNQCLSA-N 379.485 3.622 0 40 GHAB O=C(c1cnn(-c2ccccc2)n1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 7735515 QHNMZBAIPBPCFC-UHFFFAOYSA-N 390.443 3.581 0 40 GHAB O=c1n(Cc2ccccc2Cl)c2ccccc2n1S(=O)(=O)c1ccccc1 8295452 ZPBHEVCWUIMUFW-UHFFFAOYSA-N 398.871 3.742 0 40 GHAB CC(C)NC(=O)[C@@H](C)OC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 8363290 GAELIYHZDYSTHN-OAHLLOKOSA-N 397.500 3.730 0 40 GHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCc1ccco1 17305059 PIZUXGLZCRYSNQ-UHFFFAOYSA-N 391.349 3.600 0 40 GHAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8514337 RFRFBYYNANCVBL-KRWDZBQOSA-N 395.427 3.652 0 40 GHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(C)c(F)c1 9646311 YYBVFECCMVQFLO-UHFFFAOYSA-N 379.434 3.936 0 40 GHAB O=C(COc1ccc2cc(Br)ccc2c1)NO[C@@H]1CCCCO1 72058845 SWWNOXCULOTYKS-QGZVFWFLSA-N 380.238 3.556 0 40 GHAB O=C(CSc1ccc(O)cc1)Nc1nc2cc3c(cc2s1)OCCCO3 95360808 KKCSBEDAHFFUEH-UHFFFAOYSA-N 388.470 3.894 0 40 GHAB CN1C(=O)C[C@H](C(=O)Nc2nnc(C3CCCCC3)s2)[C@H]1c1ccccc1 95478431 RRDLDABHHUXNLD-DOTOQJQBSA-N 384.505 3.744 0 40 GHAB Cc1cc(C(F)(F)F)nc(N2CCCC[C@H]2CNC(=O)c2ccccc2)n1 95469205 UMUNLSAWGKDAOB-HNNXBMFYSA-N 378.398 3.593 0 40 GHAB Cc1nnc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)n1C1CC1 95467332 ATLJGJBBZPDJQE-UHFFFAOYSA-N 398.470 3.704 0 40 GHAB CCCc1cc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)[nH]n1 95954791 CHXKMXRRIGMSMF-UHFFFAOYSA-N 382.443 3.739 0 40 GHAB CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)C1 95971575 XKPGRJDECFWLKP-LBPRGKRZSA-N 375.856 3.627 0 40 GHAB CCc1nn2c(=O)cc(CSc3nccn3-c3ccc(C)cc3C)nc2s1 22134098 OURGWPSTFRLXRI-UHFFFAOYSA-N 397.529 3.808 0 40 GHAB CC(C)Oc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408707557 KKPFAEUNEHMCKA-INIZCTEOSA-N 386.879 3.797 0 40 GHAB CN1Cc2nnc(-c3cccs3)n2C2(CCN(Cc3cccs3)CC2)C1 306142042 WNOHFXBOGOQRKU-UHFFFAOYSA-N 385.562 3.505 0 40 GHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 408564134 YEGXUAILFJZGDB-UHFFFAOYSA-N 387.505 3.986 0 40 GHAB Cc1ccc(OCC(=O)N2N=C3[C@H](C)CCC[C@H]3[C@@]2(O)C(F)(F)F)cc1C 409179473 OVDFLCGWCNAISM-CDHAZOANSA-N 384.398 3.568 0 40 GHAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OC 409236999 UJYJTQSYHUUHEC-VLURKWGBSA-N 379.478 3.945 0 40 GHAB CCOc1cc(CNC(=O)c2cn[nH]c2-c2ccc(CC)cc2)ccc1OC 72329201 GWZUTSJMUVGWPV-UHFFFAOYSA-N 379.460 3.976 0 40 GHAB COc1ccc(-c2cc(C(=O)N3CCCCCC3)c3c(C)nn(C)c3n2)cc1 36616566 PCJZTSLFEMNIRQ-UHFFFAOYSA-N 378.476 3.969 0 40 GHAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)[C@@H]1CCCO1 32647527 YHTQETXNLYUAHB-HNNXBMFYSA-N 383.370 3.673 0 40 GHAB Cc1ccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)c(Br)c1 42646652 DXXSETCMNMKCCQ-ZDUSSCGKSA-N 375.266 3.616 0 40 GHAB CN(c1cccc(C(=O)N2CCCC(C)(C)C2)c1)S(=O)(=O)c1ccccc1 224258306 CZYVDDYRSTYRGW-UHFFFAOYSA-N 386.517 3.774 0 40 GHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 225650851 IPIPPWJOFSMAJA-GOSISDBHSA-N 393.531 3.723 0 40 GHAB CCOc1ccc(-c2noc(CNC(=O)c3cccc(Cl)c3Cl)n2)cn1 225816969 GMLFHDPTFPFYBC-UHFFFAOYSA-N 393.230 3.767 0 40 GHAB O=C(Nc1ccc(Br)cc1)c1cccc(CN2CCOCC2)c1 44899819 HYWNFJAQLXNRLZ-UHFFFAOYSA-N 375.266 3.534 0 40 GHAB Cc1ccc(N(C)C(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1C 225949206 PMTBWUJYJJSFLN-SFHVURJKSA-N 394.924 3.600 0 40 GHAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc(OC)cc1 224596807 FLRQWEGMJAJVSR-HXUWFJFHSA-N 385.460 3.582 0 40 GHAB Cc1nnsc1-c1nnc2sc(-c3ccc(Br)s3)nn12 80338126 AFOOMKMZQGWSAL-UHFFFAOYSA-N 385.297 3.504 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 225204616 CDXICIIBWDZYEF-KRWDZBQOSA-N 382.504 3.526 0 40 GHAB Cc1cccc2sc(OC3CN(C(=O)c4cc(=O)c5ccccc5o4)C3)nc12 77101036 UOFUSRXHTCOSIA-UHFFFAOYSA-N 392.436 3.615 0 40 GHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1OCC 225609631 MIAZLAWNMFVFOH-CQSZACIVSA-N 381.469 3.971 0 40 GHAB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCO 223624800 AHMDCESKDPGODU-RTWAWAEBSA-N 392.528 3.536 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 223020320 XQPDKSSZVXIVKB-VQTJNVASSA-N 396.491 3.630 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 223090014 BNYJILDTJIFXOZ-NRFANRHFSA-N 382.504 3.544 0 40 GHAB O=C(C[C@H]1CC2(CCN(Cc3ccoc3)CC2)Oc2ccccc21)NC1CC1 96053418 GJFMQUOVVRBDQT-SFHVURJKSA-N 380.488 3.849 0 40 GHAB CC[C@](Br)([C@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96521477 ZYXXBBAUPFPORE-IAGOWNOFSA-N 383.307 3.933 0 40 GHAB CCn1nc(C)c(-c2cc(C(=O)Nc3nc(-c4ccccn4)cs3)[nH]n2)c1C 95478463 RYAPFMHOFZWWGZ-UHFFFAOYSA-N 393.476 3.681 0 40 GHAB CN(c1ccc(F)cc1)c1ccc2ccc(C(=O)N3CC[C@H](N(C)C)C3)cn12 96146193 AMYFRHDMCWTMSX-FQEVSTJZSA-N 380.467 3.622 0 40 GHAB Cc1nc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(-c2ccccc2)s1 585152335 QMBAQWGVBBUERQ-UHFFFAOYSA-N 399.541 3.629 0 40 GHAB C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)c2ccccn2)C1 257222649 DUELNBZMNHLYIQ-JOCHJYFZSA-N 379.435 3.993 0 40 GHAB COc1cccc(CC(=O)N2CCC[C@@]3(C[C@@H](Oc4cccc(F)c4)CO3)C2)c1 257232611 GLPWAXWCVVZMAK-FYYLOGMGSA-N 399.462 3.606 0 40 GHAB C[C@@H]1Oc2ccccc2N([C@@H](C)C(=O)N[C@H](C)c2nc3ccccc3s2)C1=O 253377778 YEDRQXILIRWZMU-RDBSUJKOSA-N 395.484 3.676 0 40 GHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(F)ccc4F)OCC[C@@]31C2 257314629 UXTIFBQANFGUNZ-NTQHEYMJSA-N 393.474 4.000 0 40 GHAB Cc1ccc(C(=O)NCCNC(=O)Cc2coc3c(C)c(C)ccc23)cc1F 26085653 YKOVCILBUULKQZ-UHFFFAOYSA-N 382.435 3.586 0 40 GHAB C[C@H](c1cccnc1)N1CCN(C(=O)c2cc(Br)ccc2F)CC1 79353306 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3.758 0 40 GHAB Cn1cc([C@H]2CN(C(=O)Cc3c(F)cccc3Cl)Cc3ccccc32)cn1 585410172 WVOMKYVHOUVHAW-GOSISDBHSA-N 383.854 3.929 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc([C@@H](O)c2ccsc2)s1 207966318 OXNCDQRGTZWITF-WGWFWPIXSA-N 399.493 3.950 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC[C@H](CCO)c1cccs1 575621064 NITWOXPPHGFMEX-OAHLLOKOSA-N 387.480 3.574 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCC[C@H](O)c2cccc3ccccc23)cc1C 77118385 ZZOZWAXXCRQCBH-NRFANRHFSA-N 376.456 3.635 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 40042659 CIHWLVPPSWDIDW-MJGOQNOKSA-N 382.460 3.504 0 40 GHAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1Cc1ccc2c(c1)OCO2 100032129 PXJYIZYNKREODQ-VFNWGFHPSA-N 398.484 3.744 0 40 GHAB CC(C)C[C@@H](NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1 30893693 ODQOFNUOPXQJOB-LJQANCHMSA-N 393.487 3.656 0 40 GHAB O=C1c2cc[nH]c2CC[C@H]1N1CCN(C(c2ccccc2)c2ccccc2)CC1 20219223 DSZFPFDPEPAIMR-HSZRJFAPSA-N 385.511 3.919 0 40 GHAB COc1cc2c(cc1OC)-c1c(c(C(=O)NC(C)C)nn1-c1ccccc1F)C2 32104947 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GLCKDGRVVUHGKI-OXJNMPFZSA-N 385.533 3.749 0 40 GHAB CS(=O)(=O)c1ccc(Oc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1 78713841 WBSRFKNSLVZXGX-UHFFFAOYSA-N 395.362 3.753 0 40 GHAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(-c2ccccc2)cc1 3486851 RFJDZPUXMLCTMA-UHFFFAOYSA-N 380.469 3.661 0 40 GHAB COc1cc2nc(NC(=O)COc3ccc(C(C)=O)cc3)sc2cc1OC 22229976 QOQYVBIWXAIAIT-UHFFFAOYSA-N 386.429 3.534 0 40 GHAB CC(=O)N1CCC(C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)CC1 53398806 MFGASOQAWDZGSD-UHFFFAOYSA-N 380.423 3.566 0 40 GHAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc3ccccc23)cc1 6438743 DBKLCOWKLZTSFZ-UHFFFAOYSA-N 382.485 3.709 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccncc2)cc1 6966504 BBOCVZVDIQAZKI-UHFFFAOYSA-N 381.505 3.502 0 40 GHAB COc1cc(CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)ccc1OC(F)F 7313693 GJRUVOQAROMAPY-ZDUSSCGKSA-N 390.386 3.962 0 40 GHAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C(C)(C)C)cc3)CC2)cc1 7388350 QJNVVMQTFUQMNO-UHFFFAOYSA-N 395.503 3.642 0 40 GHAB CN(Cc1ccccc1)C(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 22738085 PBNRSNFDPGHHDI-UHFFFAOYSA-N 391.345 3.849 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2)c(C)c1 8414397 REYDBNHKHLKMHM-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB C[C@H]1CCC[C@H](N2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@@H]2C)C1 10587784 SNIZDVPEJYDTHR-BJLQDIEVSA-N 390.535 3.905 0 40 GHAB CCCOc1c(Cl)cc(C(=O)N[C@@H](C(=O)OCC)[C@H](C)CC)cc1OC 72303247 VDCGBPIRGJNOOM-MLGOLLRUSA-N 385.888 3.845 0 40 GHAB CC(=O)N1C(=N)S/C(=C/c2cc3ccc(C)cc3nc2N2CCCCC2)C1=O 21581186 GCFSVCIJIVHFOK-NLUKZUHQSA-N 394.500 3.931 0 40 GHAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCCC2=O)cc1 108751843 JDLBRMDFVZDJKD-UHFFFAOYSA-N 394.515 3.915 0 40 GHAB CN(C)[C@H](CNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccsc1 25331027 WCJZMGNTTKLPRL-QGZVFWFLSA-N 391.924 3.561 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@H](C)NCc2ccco2)sc2c1CC[C@@H](C)C2 3292319 MAVYPFZMAMHYOF-OLZOCXBDSA-N 390.505 3.759 0 40 GHAB COc1ccc([C@@H]2CC(=O)[C@@H]3C=Nc4ccccc4N[C@@H]3C2)c(OC)c1OC 100855754 DXUMWCIVUIPWJB-JCKWVBRZSA-N 380.444 3.972 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 12604860 PTFPBSXVWYZXDN-IAGOWNOFSA-N 386.517 3.914 0 40 GHAB COc1ccc2c(c1)c(C(=O)Nc1cccc(-c3nnn(C)n3)c1)cn2C(C)C 95480760 IDYKKDUTARCFRC-UHFFFAOYSA-N 390.447 3.674 0 40 GHAB COc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 57416586 HPISESPLBUSHGQ-OCCSQVGLSA-N 390.842 3.718 0 40 GHAB COc1ccc(C)cc1CCNC(=O)Cn1c(-c2ccc(C)cc2)csc1=O 10090996 UEVDRAKONBUYPL-UHFFFAOYSA-N 396.512 3.561 0 40 GHAB C[C@H](Cc1cc(O)n2ncc(-c3ccc(F)cc3)c2n1)n1nnc2ccccc21 100775495 RRAGBXWHGCRYHL-CYBMUJFWSA-N 388.406 3.789 0 40 GHAB NC(=O)c1cccc(Oc2ccc(NC(=O)Cc3c(F)cccc3Cl)cn2)c1 58162175 GXJUXAMTCILNTQ-UHFFFAOYSA-N 399.809 3.947 0 40 GHAB O=C(CCCOc1cccc(Br)c1)Nc1ccc2c(c1)OCO2 3398842 WJFWGUKXAJGWSP-UHFFFAOYSA-N 378.222 3.976 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)O 2104931 UKPUTZQLKIBXPJ-MGNBDDOMSA-N 399.443 3.622 0 40 GHAB biogenic CNC(=O)c1c(NC(=O)c2cc(-c3cccs3)on2)sc2c1CCCC2 27991799 LZDZGCDLWPSYRX-UHFFFAOYSA-N 387.486 3.955 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](Sc3nnc(-c4ccccc4)[nH]3)C2=O)cc1C 2211410 WRLFFEXQGFLRBH-INIZCTEOSA-N 378.457 3.513 0 40 GHAB CCOc1ccc(NC2=NN=C(c3ccc4c(c3)CCC(=O)N4)CS2)cc1 12741716 TZAWWIIUBQEZRW-UHFFFAOYSA-N 380.473 3.889 0 40 GHAB CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 25467712 AATNCCAKVJSZIS-UHFFFAOYSA-N 387.483 3.638 0 40 GHAB CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 2369240 CXJHBSQHVKVJMT-CYBMUJFWSA-N 389.459 3.693 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)c(OC)c1 12765334 GFOXIMRSMNTKLY-INIZCTEOSA-N 381.881 3.883 0 40 GHAB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(Cl)cc1 2463427 PUGVNTZCGAYKKC-DZGCQCFKSA-N 378.881 3.942 0 40 GHAB Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1F 11496860 SEKRUJWLJCOAIV-UHFFFAOYSA-N 382.482 3.623 0 40 GHAB Cc1ccccc1Nc1oc2c(c1-c1cccc(F)c1)c(=O)n(C)c(=O)n2C 11614577 DSYXELFYXMJJFX-UHFFFAOYSA-N 379.391 3.688 0 40 GHAB CC(C)c1nc2cc(NC(=O)c3cc(Cl)ccc3-n3cnnn3)ccc2o1 25302508 RMRWEVHAKOHXIH-UHFFFAOYSA-N 382.811 3.833 0 40 GHAB CN(Cc1cccc(Cl)c1)CN1C(=O)C(=O)c2cc(Br)ccc21 12885866 QMDOOFKYPSRPJR-UHFFFAOYSA-N 393.668 3.721 0 40 GHAB C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)C[C@@H](C)O1 12988709 ZDGBLDVAHDBIDM-GHMZBOCLSA-N 383.876 3.797 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1sc(SC)nc1C 12909056 IHVUUNGNVRUTLJ-NSHDSACASA-N 377.535 3.883 0 40 GHAB Cc1nn(C)c2ncc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)cc12 25163913 MCLVLKBQJDLECB-UHFFFAOYSA-N 398.426 3.975 0 40 GHAB COc1ccc(-c2nnc(CN(C)C(=O)c3ccc(C)cc3C)o2)cc1OC 408714184 KRNRVQKOAFNKBR-UHFFFAOYSA-N 381.432 3.643 0 40 GHAB CC(=O)Nc1cccc2c1CCN(C(=O)C(=O)c1ccc(C(C)(C)C)cc1)C2 64302592 BBBULOPGVMFORY-UHFFFAOYSA-N 378.472 3.710 0 40 GHAB O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc21 13697010 FLEZITAEGHFKCQ-UHFFFAOYSA-N 390.892 3.581 0 40 GHAB FC(F)Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCNCC2)cc1 5156021 SQRLTHGEEDEPQL-SFHVURJKSA-N 385.414 3.911 0 40 GHAB COC(=O)[C@H](C)Oc1ccc2c(C)c(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 4340325 WOWKRJWGWPNGDC-ZDUSSCGKSA-N 398.411 3.726 0 40 GHAB biogenic CSc1nc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2s1 5223207 DEWRAXLGWRUFCI-UHFFFAOYSA-N 378.500 3.674 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)C1 6382723 XMNYTFSQARRUDT-HUUCEWRRSA-N 390.480 3.745 0 40 GHAB COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)nc12 14085483 PAYUJXDMUVXFRS-UHFFFAOYSA-N 398.412 3.554 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1Cl)N[C@H]1CCSc2ccccc21 14095051 HJTIPWARCSTXMK-HNNXBMFYSA-N 395.933 3.857 0 40 GHAB COc1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)ccc1N1CCCC1=O 5329357 IMXDPJDVJPVKJJ-UHFFFAOYSA-N 388.489 3.548 0 40 GHAB COc1cc(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)cc(Cl)c1OC(C)C 5489238 NGKQATDJJZMMDR-BBRMVZONSA-N 397.899 3.988 0 40 GHAB O=C(/C(=C\c1cccc(Br)c1)n1ccccc1=O)N1CCCCC1 4690264 AXBLZSXYOZAOHE-SAPNQHFASA-N 387.277 3.621 0 40 GHAB CCCCC(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 6757468 ZKOHGMGAZXYHLZ-KRWDZBQOSA-N 393.480 3.792 0 40 GHAB CCOc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3 6737149 KTBXTUNAOUPHRQ-UHFFFAOYSA-N 382.489 3.517 0 40 GHAB CN(C)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1Cl)n(C)c(=O)n2C 4938346 QPRQBQPUTAYRCF-UHFFFAOYSA-N 393.274 3.502 0 40 GHAB CCOC(=O)/C(=C\Nc1ccc(F)c(F)c1)S(=O)(=O)c1cc(C)cc(C)c1 67340378 NBPWGBYNGFNBHO-WOJGMQOQSA-N 395.427 3.872 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)c1ccc(OCc2ccccc2)c(OC)c1)C(=O)OC 7191812 UHQOJUCHQFFUFB-FOIQADDNSA-N 385.460 3.592 0 40 GHAB CO[C@]1(C(=O)C(=O)Nc2ccccc2Cl)NC2(CCCC2)Cc2ccccc21 19848092 LWDQOPWYRNKOHJ-JOCHJYFZSA-N 398.890 3.806 0 40 GHAB COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2c(C)nn(C)c2C)cc1 7813462 SWXJOQRRLNJWRN-QFIPXVFZSA-N 390.487 3.855 0 40 GHAB CC(C)CN(C(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc2ccccc2s1 7983183 NUICHRVJDJRHBV-UHFFFAOYSA-N 392.484 3.765 0 40 GHAB CCOc1ccccc1-n1c(SCc2nnc(C)o2)nc2ccccc2c1=O 8194916 KVZYMTKNOQTCCS-UHFFFAOYSA-N 394.456 3.768 0 40 GHAB C[C@H]1CN(CCOc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)C[C@@H](C)O1 17058307 CTPRCYPDKCSGRM-CALCHBBNSA-N 393.487 3.937 0 40 GHAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(CCOC)C2=O)cc1OCC 409129052 QNBLXHAXSFNBBS-OQLLNIDSSA-N 385.869 3.820 0 40 GHAB Cc1cccc2c(=O)n(CCCC(=O)N3CCC[C@@H]3c3ccccc3)cnc12 9958840 OPPNAJBOUOHXMB-HXUWFJFHSA-N 375.472 3.849 0 40 GHAB O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cnc2nc[nH]c2c1 89775032 UODBWYGQOWESDT-SFHVURJKSA-N 378.382 3.950 0 40 GHAB Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 28239320 VNEIPJMBFGADPP-UHFFFAOYSA-N 397.788 3.747 0 40 GHAB CC[C@H](C)n1c(SCC(=O)N[C@H](C)c2ccccc2)nc2cc(C)[nH]c2c1=O 67299556 IIBATPGHLWQKCK-LSDHHAIUSA-N 398.532 3.974 0 40 GHAB Cc1cccc(C(=O)N[C@@H](C(=O)OCc2nc3ccccc3nc2C)C(C)C)c1 39659157 YSURZSCDUXEHRS-OAQYLSRUSA-N 391.471 3.744 0 40 GHAB Cc1ccc(F)c2[nH]c(C(=O)NCCNc3ncccc3C(F)(F)F)cc12 1544538478 SNUHLEUVIZWYHE-UHFFFAOYSA-N 380.345 3.871 0 40 GHAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@@H]2C)OCO4)c1O 31430163 HRGWMGTYIRQYMO-YIKPVDIZSA-N 383.444 3.712 0 40 GHAB O=C(NCCc1nc2c(c(C(F)(F)F)n1)CCCC2)c1c(F)cccc1F 77101195 MBYOMDRSGIZFJS-UHFFFAOYSA-N 385.336 3.625 0 40 GHAB CC(C)[C@@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 40143461 SUYAARUIWXRJGS-GFCCVEGCSA-N 393.281 3.998 0 40 GHAB CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224846649 LMEFLFFLDRSQGG-UHFFFAOYSA-N 389.473 3.604 0 40 GHAB COc1ccc2cc(S(=O)(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2c1 223902134 VNWXZUZSQYAAKM-UHFFFAOYSA-N 396.468 3.776 0 40 GHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 223262204 CZBBIUXLKWXCEU-JOCHJYFZSA-N 396.531 3.817 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 223638959 NNNBXHJPQLUQGX-GOSISDBHSA-N 384.545 3.949 0 40 GHAB CCOc1ccc(C(=O)N2CCOCC2)cc1COc1ccc(Cl)cc1 224502965 XEEQBVAAGYUZMR-UHFFFAOYSA-N 375.852 3.790 0 40 GHAB CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)[nH]n2)CC1 225562254 UARRJJGEHHBULP-UHFFFAOYSA-N 388.443 3.916 0 40 GHAB COc1ccc([C@@H](NC(=O)Nc2ncc(C3CCOCC3)s2)C2CC2)cn1 529107358 BCRUFVSLHMVPLD-KRWDZBQOSA-N 388.493 3.714 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 224543257 KDWNKLLWQZQFLU-JOCHJYFZSA-N 396.531 3.798 0 40 GHAB Cc1ccc(N(C)C(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1C 225949191 PMTBWUJYJJSFLN-GOSISDBHSA-N 394.924 3.600 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 223942348 DXNYDGYTOWOYAL-CQSZACIVSA-N 381.881 3.929 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CSc2nc3nc(C)c(C)c(C)n3n2)cc1C 40119171 OOSDFMLVVOZQGY-OAHLLOKOSA-N 383.521 3.636 0 40 GHAB C[C@@](O)(CNC(=O)COc1ccccc1F)c1ccc(-c2ccccc2)cc1 77184127 RSOVLKPKUUOBLL-HSZRJFAPSA-N 379.431 3.895 0 40 GHAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1cccc(F)c1 225727723 KCRJYNFSVXXVAW-UHFFFAOYSA-N 375.197 3.542 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 225211492 CXOPBECGYQKVFR-KRWDZBQOSA-N 382.504 3.526 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c3ccccc23)C1=O 96447501 BDVUIOWDQGUJHR-PBSOMRJOSA-N 385.441 3.836 0 40 GHAB Cc1ccc(-c2cc(CN3CCc4ccc(S(C)(=O)=O)cc4CC3)on2)cc1 585080567 KLRKOVIAHVJVRY-UHFFFAOYSA-N 396.512 3.654 0 40 GHAB CO[C@@H](C(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(C)cc1)[C@H]1CCOC1 622845990 WPEQRHUQHUFNEH-QFBILLFUSA-N 387.501 3.894 0 40 GHAB COCCn1nc(CNC(=O)c2c(F)cccc2Cl)cc1-c1ccco1 90607025 YKSDLVVOOUOOBY-UHFFFAOYSA-N 377.803 3.512 0 40 GHAB O=C(COc1ccccc1F)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 90607126 UXWIJEURGPCJQN-UHFFFAOYSA-N 394.450 3.895 0 40 GHAB Cc1c(C(=O)N2CCCSC[C@@H]2CN2CCCCC2)cnn1-c1ccccc1 90609042 KRSMSBOFCJIALX-FQEVSTJZSA-N 398.576 3.614 0 40 GHAB C[C@@H](NC(=O)N1Cc2cc(F)c(F)cc2C1)c1cccc(N2CCCC2=O)c1 654405574 QJKXFEWXAOOMCP-CYBMUJFWSA-N 385.414 3.878 0 40 GHAB CN1CCN(C(=O)Cc2c[nH]c3cccc(Cl)c23)C[C@H]1Cc1ccccc1 1157174886 FYOPBEKDKBDIRQ-GOSISDBHSA-N 381.907 3.749 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)c1 79104019 UFIQVAFBUFKDLG-DYESRHJHSA-N 387.501 3.794 0 40 GHAB CN1C[C@@H](C(=O)NCc2ccc(Cl)c(Cl)c2)[C@@H]2COc3ccccc3[C@@H]21 1772595996 XQWNJMICLRKSJC-VCBZYWHSSA-N 391.298 3.921 0 40 GHAB O=C(Cn1cnc2ccsc2c1=O)Nc1ccc(Br)cc1Cl 11651814 NUZWAIWFSHDRJN-UHFFFAOYSA-N 398.669 3.513 0 40 GHAB O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(Cl)cc1 12498736 LCNPOQNTPAOTSJ-UHFFFAOYSA-N 399.697 3.995 0 40 GHAB O=c1[nH]c2sc3c(c2c2nc(-c4ccc(Br)cc4)nn12)CCC3 13570490 OLMGOTIBKJUTMN-UHFFFAOYSA-N 387.262 3.551 0 40 GHAB CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1ccccc1)S(C)(=O)=O 13711243 XXCRDRYZFWZKCQ-INIZCTEOSA-N 396.896 3.532 0 40 GHAB COc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 14399836 JHHIZZCZZHIBDB-MRXNPFEDSA-N 382.460 3.727 0 40 GHAB CCCN1CCN(CC2CC2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 19503264 ISJFPIHINTYKGV-QFIPXVFZSA-N 377.532 3.872 0 40 GHAB CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3548630 AYCIQSKHIOBUHE-UHFFFAOYSA-N 386.517 3.984 0 40 GHAB CCOc1ccc(C(=O)NC2CCN(C(=S)Nc3ccccc3)CC2)cc1 35292228 VMPVNBIXSPLQNR-UHFFFAOYSA-N 383.517 3.677 0 40 GHAB CC(=O)N1CCCCCCCN(C(=O)CCc2ccnn2C)Cc2ccccc21 643553273 HZJDUQROWCASKN-UHFFFAOYSA-N 396.535 3.699 0 40 GHAB CCc1ncnc(O[C@@H]2CCN(C(=O)C3(c4cccs4)CCCC3)C2)c1F 240067986 SGJMKDYUAPREJZ-CQSZACIVSA-N 389.496 3.731 0 40 GHAB O=C1C(Cl)=C(Nc2ccc(Br)cc2)C(=O)N1Cc1ccccc1 1903684 ARZZAOOGCIFZTN-UHFFFAOYSA-N 391.652 3.880 0 40 GHAB CCCN(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@H]1CCS(=O)(=O)C1 20815616 FXPACYZDWDGXEV-ZDUSSCGKSA-N 381.881 3.639 0 40 GHAB Cc1cc(C)nc(Nc2cc(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)ncn2)n1 2037835092 YKLGXDDZJPUHHO-INIZCTEOSA-N 398.511 3.817 0 40 GHAB COc1ccc([C@H](CNC(=O)c2cccnc2)Cc2ccccc2)cc1OC 4776101 CDZBOQFPIHBTNL-FQEVSTJZSA-N 376.456 3.855 0 40 GHAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(SCCC2OCCO2)s1 5253785 ATKFUZJAZULNIU-UHFFFAOYSA-N 386.886 3.691 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1csc2nc(-c3ccc(F)cc3)cn12 11902155 RFTCCXIFVPWHMF-UHFFFAOYSA-N 395.415 3.861 0 40 GHAB O[C@H](COC1CCCC1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22917988 JSOPRIGVHFYVKA-QHCPKHFHSA-N 394.559 3.714 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575613010 NTQZVDPPSUIMDZ-LLVKDONJSA-N 386.761 3.834 0 40 GHAB Clc1cc(Br)cnc1N1CCC[C@@H](COc2cnccn2)C1 2298109318 QVOIRWQXMSMMAZ-LLVKDONJSA-N 383.677 3.583 0 40 GHAB CCC(C)(C)OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22918003 LMNSJJFDJWHQBI-HSZRJFAPSA-N 396.575 3.960 0 40 GHAB CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2c(Cl)cccc21 32073705 BKSTXVLNYOTLFF-HXUWFJFHSA-N 378.819 3.780 0 40 GHAB CN(Cc1ccccc1Br)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 40160388 KLAHMURVGPGVED-HNNXBMFYSA-N 397.313 3.807 0 40 GHAB CCCOc1c(Cl)cc(C(=O)N2CCC(C(=O)OC)CC2)cc1OCC 40160212 AQYYVEMHOGEYQF-UHFFFAOYSA-N 383.872 3.553 0 40 GHAB Cc1cccc(-c2nc(CC(=O)NC[C@@H]3COc4ccccc4O3)cs2)c1 31242916 ZULBDBPEPMFCEG-QGZVFWFLSA-N 380.469 3.617 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nccs1)c1cc2ccccc2o1 20723852 VHVBJMBAWIGZLK-INIZCTEOSA-N 391.452 3.869 0 40 GHAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc2ccccc2[nH]1 32375289 QFFNRAYSCSPUMG-FQEVSTJZSA-N 383.879 3.625 0 40 GHAB C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 32755217 BBGLCVXBBHVXSE-HNNXBMFYSA-N 383.469 3.782 0 40 GHAB O=S(=O)(Nc1ccc2c3c(cccc13)CC2)c1ccc2c(c1)OCCCO2 32855675 JQPUFJHLLYHZCX-UHFFFAOYSA-N 381.453 3.901 0 40 GHAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(CN2CCCCC2)cc1 32828802 RWUOMAATFFCGTC-KRWDZBQOSA-N 396.487 3.865 0 40 GHAB Cc1cc(C)cc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 817234 KDUJDHYILOOWCH-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB C[C@@H]1CCc2c(sc3nc(SCC(=O)NCc4ccccc4)nc(N)c23)C1 2252390 NFHKASQZEVQBJM-GFCCVEGCSA-N 398.557 3.807 0 40 GHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1cccnc1Cl 2621253 MCXPBVVVURHMAW-UHFFFAOYSA-N 385.880 3.924 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC(C)CC3)c2)cc1 3228015 XCAHDJSKGNHXGF-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB COc1ccc(OC)c(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c1 3247018 AHIFJWBQVQWGEQ-UHFFFAOYSA-N 396.443 3.690 0 40 GHAB O=C(CNc1cc(Cl)ccc1N1CCOCC1)N1CCCc2ccccc21 3376989 DFGTZEOWGCXXOU-UHFFFAOYSA-N 385.895 3.568 0 40 GHAB CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1ccncc1 3413029 VARVJCPIMVRFNT-UHFFFAOYSA-N 379.489 3.580 0 40 GHAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)[C@H]1COc2ccccc2O1 4088534 UMLPACHYNODQQJ-QGZVFWFLSA-N 395.436 3.980 0 40 GHAB Cc1ccc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)cc1 4326586 JIVDPOUUHCRFBF-UHFFFAOYSA-N 381.486 3.892 0 40 GHAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)c1ccc(Cl)cc1 4376996 TZMLSXRSKPWIBX-UHFFFAOYSA-N 381.848 3.815 0 40 GHAB Cc1ccc(-c2nc(COC(=O)Cc3n[nH]c(=O)c4ccccc34)cs2)cc1 4493159 VRKBIGXNMRHCKY-UHFFFAOYSA-N 391.452 3.641 0 40 GHAB C[C@H]1CCc2ccccc2N1C(=O)CCCC(=O)NCc1ccc2c(c1)OCO2 4782743 GAXUZUJGHKNWCC-INIZCTEOSA-N 394.471 3.570 0 40 GHAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(NC(=O)c2cccs2)cc1 4945058 PIDPDYOPKFCBAT-UHFFFAOYSA-N 382.397 3.657 0 40 GHAB CSc1nnc([C@@H]2CCCN(CC(=O)Nc3cccc4ccccc34)C2)n1C 5001435 TWDSWSJEQVQMNT-MRXNPFEDSA-N 395.532 3.508 0 40 GHAB CCc1c(C)sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1C(=O)OC(C)C 5094745 IMTSCXFDHZSDIB-DHMWGJHJSA-N 393.505 3.870 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 5448255 ZQILUICFABLBBW-IUODEOHRSA-N 378.929 3.923 0 40 GHAB CCOC(=O)C1CCN(C[C@@H](O)COc2ccc3oc4ccccc4c3c2)CC1 5603944 GBLJEWRGEQBGAN-QGZVFWFLSA-N 397.471 3.601 0 40 GHAB CCCCCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 6308633 LJPPBUSUEBTMTL-UHFFFAOYSA-N 388.533 3.805 0 40 GHAB Cc1cccn2cc(CSc3nnc([C@@H]4COc5ccccc5O4)n3C)nc12 6582737 NKXKDILBAVOBHA-KRWDZBQOSA-N 393.472 3.576 0 40 GHAB O=C1C[C@@H](C(=O)N2CCSc3ccccc32)CN1Cc1ccccc1Cl 6880124 WBOIRVRRJDJZOT-OAHLLOKOSA-N 386.904 3.827 0 40 GHAB Cc1ccc([C@@H](NC(=O)c2nn(C)c(=O)c3ccccc23)c2cccs2)cc1 6937283 BISNCDNXDJDZNR-LJQANCHMSA-N 389.480 3.823 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Br)c1OC(C)C 6951131 LMYKXYIJVLIXEX-MDWZMJQESA-N 397.269 3.548 0 40 GHAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(OC(F)(F)F)cc1 7063636 PVYHXXDYTGFADN-UHFFFAOYSA-N 394.349 3.730 0 40 GHAB Cc1ccccc1CN(C)C(=O)CSc1nnc(NCc2ccco2)s1 7161895 HIENAMIUBWPSMI-UHFFFAOYSA-N 388.518 3.802 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)CSc3ccc(C)cc3)n2)cc1 7780690 RGSIQSJRVSUPMW-UHFFFAOYSA-N 383.473 3.804 0 40 GHAB O=C(COC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccccc1 7939746 BXHGFCRCKYIYNG-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB O=C1CN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)c2ccccc2N1 8267181 IHPLVNMRUDUUKB-UHFFFAOYSA-N 385.467 3.674 0 40 GHAB COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(C)c(C)c3)ccc2c1 8360865 RLXMVNWAWCKVSN-UHFFFAOYSA-N 390.483 3.854 0 40 GHAB Cn1c(SCC(=O)N2CCC[C@H]3CCCC[C@H]32)nnc1-c1ccc(F)cc1 8473127 NLGRFMMWTZDOMO-RHSMWYFYSA-N 388.512 3.895 0 40 GHAB CCCn1c(O)cc(=O)nc1SCC(=O)Nc1ccccc1-c1ccccc1 9502882 GFIFVLCBAMTJSH-UHFFFAOYSA-N 395.484 3.757 0 40 GHAB COc1ccccc1Nc1nc(Nc2ccc(C)cc2)nc(N2CCOCC2)n1 9708947 WDHPJWJPARVPQZ-UHFFFAOYSA-N 392.463 3.512 0 40 GHAB COc1ccc(-c2cc(C(=O)N3CCO[C@@H](C)C3)c3ccccc3n2)cc1OC 9854011 OXHOPDZAYAUJEY-HNNXBMFYSA-N 392.455 3.780 0 40 GHAB COc1cccc(C(=O)NC[C@H](c2cccc3ccccc23)N(C)C)c1OC 10330416 YCZRTGVEOHCJBI-HXUWFJFHSA-N 378.472 3.890 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1C 11612706 ZRMOSMOZKCXXHK-LJQANCHMSA-N 386.517 3.875 0 40 GHAB COc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3c(C)cccc3C)n2)c1 11693328 RGGVLPQXPNYFGP-UHFFFAOYSA-N 391.471 3.955 0 40 GHAB CC(C)[C@H](NC(=O)CSc1nnc(C(F)(F)F)n1C)c1cccs1 11867681 CSBURAFQQAXQCC-NSHDSACASA-N 378.445 3.501 0 40 GHAB Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccnn3C)nc2c1 12444249 JUEXPDGHDHVQRZ-UHFFFAOYSA-N 377.473 3.889 0 40 GHAB COCCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc2ccccc21 12533148 BMTGEXUWWNQSIK-HRCADAONSA-N 375.538 3.716 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)NCCc3nc4ccccc4[nH]3)s2)cc1 12822984 BPYHAGQORPHISJ-UHFFFAOYSA-N 392.484 3.976 0 40 GHAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 12890125 GMECIJKTJYWERI-UHFFFAOYSA-N 383.835 3.998 0 40 GHAB O=S(=O)(/N=c1\[nH]c2ccc(F)cc2s1)c1cccc(Cl)c1Cl 13097413 ITZWEIPKLJELHO-UHFFFAOYSA-N 377.249 3.965 0 40 GHAB C[C@@H](Sc1nnc(N)s1)C(=O)N(Cc1ccccc1)Cc1ccccc1 15156423 RGWKKNZCQOAYFY-CQSZACIVSA-N 384.530 3.830 0 40 GHAB CCCNC(=O)CSC1=NC(c2ccccc2)=NCN1c1ccc(F)cc1 15860609 UQBVUMKXONGJHI-UHFFFAOYSA-N 384.480 3.665 0 40 GHAB CC(C)NC(=O)Nc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1 16467091 ZYKUEBIERCKAGC-UHFFFAOYSA-N 380.404 3.624 0 40 GHAB COc1cc(C(=O)Nc2ccccc2C(N)=O)cc(Cl)c1OCC(C)C 17481984 SMJGNBMJEPDTJN-UHFFFAOYSA-N 376.840 3.735 0 40 GHAB COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)c1 17976131 JFSNPZXTRNNBIJ-RTBURBONSA-N 379.412 3.594 0 40 GHAB NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CCCC2)C1 19331599 FUQNGDMPDJGAFE-JOCHJYFZSA-N 382.529 3.852 0 40 GHAB CCOc1ccc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ccc(C)cn3)C2)cc1OC 19533926 AEKSUWYPJIFIKF-YYDVJCTNSA-N 382.504 3.527 0 40 GHAB O=C1[C@H](C2CCN(Cc3cccnc3)CC2)CC=CCN1Cc1ccccc1 19695795 NNGZJSZCSFUYEE-QHCPKHFHSA-N 375.516 3.899 0 40 GHAB C[C@H]1Oc2ccc(-c3csc(NC(=O)c4ccccc4F)n3)cc2N(C)C1=O 19796684 UJWNZTHTTIDNEP-LLVKDONJSA-N 397.431 3.945 0 40 GHAB CCc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20039164 WUTOUBFBLHWBRB-UHFFFAOYSA-N 386.517 3.817 0 40 GHAB Cc1cccc(OCC(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20153699 IQHOMMRBZQUMPN-UHFFFAOYSA-N 396.468 3.639 0 40 GHAB c1ccc(CCCc2nn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1 20727246 AMRNWKRNBMAZRG-UHFFFAOYSA-N 394.456 3.669 0 40 GHAB CC(C)Oc1ccc(-c2noc(C(=O)NC3CC(C)(C)NC(C)(C)C3)n2)cc1 20744544 GSAPSWPUZZJBIT-UHFFFAOYSA-N 386.496 3.563 0 40 GHAB O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccccc1OC[C@@H]1CCCO1 21552301 CHEKHQKRTIELEN-INIZCTEOSA-N 398.390 3.791 0 40 GHAB CCCOc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1OCCC 22143421 DWGBRHVPOZOGGS-UHFFFAOYSA-N 399.491 3.748 0 40 GHAB Cc1cccc(C)c1-n1c(S[C@@H]2CCCCNC2=O)nc2ccccc2c1=O 22201968 HXTICVBAWCDJLH-GOSISDBHSA-N 393.512 3.763 0 40 GHAB COc1ccc(-c2csc3nc(C)nc(N4CCC[C@H](O)C4)c23)cc1OC 22342057 SCLRKJQCMCTXFL-AWEZNQCLSA-N 385.489 3.645 0 40 GHAB COc1ccc(NC(=O)c2cc3c(F)cccc3s2)cc1NS(C)(=O)=O 22993604 VLNUHXYLEXFRMD-UHFFFAOYSA-N 394.449 3.673 0 40 GHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CCCNC(=O)c1ccsc1 23601667 GJXAOQXKNVAELO-UHFFFAOYSA-N 382.432 3.518 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 24986968 TZJKUYJYSBEYNV-KBPBESRZSA-N 398.454 3.780 0 40 GHAB CC(=O)CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)cc1 25308558 ORFXYXDFNCJWSI-FYYLOGMGSA-N 385.479 3.924 0 40 GHAB O=C(C[C@@H]1Oc2ccccc2NC1=O)N[C@H](Cc1ccccc1)c1ccccc1 25623331 JJGGLUUCCOQGDN-IRLDBZIGSA-N 386.451 3.876 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1ccccc1F 29999615 KGRQXTBEHPTWKV-QFIPXVFZSA-N 377.463 3.886 0 40 GHAB CCn1c(SCC(=O)Nc2cccc3ncccc23)nnc1-c1ccncc1 32788780 AOJSLZQWGALUHO-UHFFFAOYSA-N 390.472 3.639 0 40 GHAB COc1ccccc1CCNC(=O)N(C)Cc1ccccc1OC(F)(F)F 32794851 KISZERLVVSZMIZ-UHFFFAOYSA-N 382.382 3.978 0 40 GHAB COC(=O)[C@@H](NC(=O)c1cc2occc2n1Cc1ccccc1Cl)C(C)C 36358147 TTYZUFUTFNXFCG-SFHVURJKSA-N 388.851 3.863 0 40 GHAB O=C(Oc1ccccc1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 40069510 QSDFXXQWCNQZQQ-UHFFFAOYSA-N 399.493 3.714 0 40 GHAB CC1CCC(NC(=O)[C@@H](C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 40105943 AMDHHLLCUDSVJK-MBHSVXNSSA-N 392.348 3.992 0 40 GHAB CCOc1ccc(-c2nnc3sc(NC(=O)c4ccc(OC)cc4)nn23)cc1 41108796 BUEHIFPKMBHWOU-UHFFFAOYSA-N 395.444 3.512 0 40 GHAB C[C@H](NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(C(C)(C)C)cc1 45235312 JXDXTMIDTAFTLL-ZYSHUDEJSA-N 382.504 3.503 0 40 GHAB Cc1nnc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2-n2cccc2)s1 49546752 SUUCSYZXDYLRIL-UHFFFAOYSA-N 384.852 3.729 0 40 GHAB O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@H]1C[C@H]2CC[C@@H]1C2 53175976 VDWNSTPJAKLJJH-GUTXKFCHSA-N 379.298 3.660 0 40 GHAB CC(C)(C)c1noc(CCCC(=O)Nc2ccccc2OCCn2ccnc2)n1 57359141 DOCZVAANNDZYOS-UHFFFAOYSA-N 397.479 3.604 0 40 GHAB S=c1n(CN2CCN(c3ccccc3)CC2)nc2sc3ccccc3n12 57394945 XGLZCZOPTQTPBV-UHFFFAOYSA-N 381.530 3.860 0 40 GHAB Cc1ccc(CNC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(C)c2=O)cc1 57528026 SUARMHDPOLHYIL-UHFFFAOYSA-N 395.890 3.805 0 40 GHAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cc(F)cc(N2CCCC2)c1 58171490 YRIPVKVYDQZLND-UHFFFAOYSA-N 389.858 3.838 0 40 GHAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2Cc2ccccc2)CN1c1ccc(F)cc1F 58418965 ZUXXZZWFYDRQRV-SJLPKXTDSA-N 384.426 3.551 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 61112716 RXVRIFMRJIKJFR-UHFFFAOYSA-N 377.444 3.896 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H](NCCc2ccccc2Br)C1 89212637 DXNWTQGPXBXAAR-HNNXBMFYSA-N 383.330 3.981 0 40 GHAB O[C@@H](CNCCc1c[nH]c2ccccc12)COc1cccc(Br)c1 89866612 XTOXRUNTWFANHU-INIZCTEOSA-N 389.293 3.502 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccncc3)CC2)Oc2ccccc21 96053330 QCFJVGVWCVNLID-FQEVSTJZSA-N 393.531 3.897 0 40 GHAB Cc1ccc(N2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)nn1 96155824 CFMWDDTZQHBPQI-UHFFFAOYSA-N 385.475 3.955 0 40 GHAB COc1ccc(-c2noc([C@H]3CCCN3C(=O)Cc3ccccc3)n2)cc1OC 98212278 BSEHYQGCDUZFNP-QGZVFWFLSA-N 393.443 3.660 0 40 GHAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 101114655 XVNWHYCHGXRDLO-SPUZQDLCSA-N 385.341 3.665 0 40 GHAB CNC(=O)c1cccc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)c1 106599325 OLGMKHMGOPDOQT-UHFFFAOYSA-N 389.242 3.791 0 40 GHAB COCC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)o2)C1=O 111504551 WPOQMHXDXBMONJ-OQLLNIDSSA-N 389.454 3.683 0 40 GHAB CCOc1cc(CNC(=O)Cc2cccc(Br)c2)ccc1OC 114293216 MGMYCANBPJHAQO-UHFFFAOYSA-N 378.266 3.715 0 40 GHAB CC(C)Oc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 115562549 CLLLSEVGLLJLQK-MRXNPFEDSA-N 386.879 3.797 0 40 GHAB COC[C@H](C)NC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 199405043 ADMXUZICVFDEST-IBGZPJMESA-N 396.531 3.629 0 40 GHAB CCOC(=O)c1cn(Cc2ccncc2)c2cc(C(F)(F)F)c(F)cc2c1=O 199801932 FBRZDWAGGNOBJQ-UHFFFAOYSA-N 394.324 3.779 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 222681689 BQVPAYWESNSTGC-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB CCOC(=O)N1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 222716168 IUXBEMWAECBJCE-UHFFFAOYSA-N 391.320 3.527 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 224554587 PJKCHOFQWUESRY-QFIPXVFZSA-N 396.531 3.798 0 40 GHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)c(OC)c1 224813084 NQODTWOQCYBMMM-UXHICEINSA-N 394.500 3.614 0 40 GHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 225429189 FYPVHLQSWUFFKT-UHFFFAOYSA-N 384.501 3.657 0 40 GHAB NC(=O)c1ccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)cc1 225829118 DIKKHQNQAYKVLA-UHFFFAOYSA-N 386.411 3.560 0 40 GHAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C[C@H](C)c3ccccc3)ncc2C1 247921832 HJSUJDQVXKNDCS-JTSKRJEESA-N 378.520 3.712 0 40 GHAB Cc1ccsc1C(=O)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1 253598197 BCVQYGFGDWEYIA-KRWDZBQOSA-N 386.517 3.932 0 40 GHAB COc1ccc(CCNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)cc1 257239952 HRNAHYILELMORZ-UHFFFAOYSA-N 389.499 3.791 0 40 GHAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)NCCCO)CCOCC3)cc2)c1 257293411 QPJMTJKMFJLLIK-UHFFFAOYSA-N 381.516 3.808 0 40 GHAB O=C(c1cccc2ccccc12)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390832008 WPAQZHRAOSWZAX-OAQYLSRUSA-N 379.481 3.842 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 408567723 QZKDADLTNUGPDL-UHFFFAOYSA-N 392.908 3.837 0 40 GHAB Cc1ccc(OCC(=O)N2N=C3[C@H](C)CCC[C@H]3[C@]2(O)C(F)(F)F)cc1C 409179474 OVDFLCGWCNAISM-DWQUBVKVSA-N 384.398 3.568 0 40 GHAB CN1CCN(C(=O)c2cc3c(OC(F)F)cccc3[nH]2)C[C@H]1Cc1ccccc1 551538228 ZOVSBTQGTQBUIP-MRXNPFEDSA-N 399.441 3.768 0 40 GHAB Cc1cc(C(F)(F)F)nn1CC(=O)N(Cc1ccnc(OC(C)C)c1)C1CC1 585084942 HALQRHSOWUZNIP-UHFFFAOYSA-N 396.413 3.584 0 40 GHAB CS(=O)(=O)C1=NNc2c(-c3ccc(Cl)cc3)cnn2[C@@H]1c1ccccc1 618256622 KCRQFWAFMLULCV-MRXNPFEDSA-N 386.864 3.577 0 40 GHAB COc1ccc(CNC(=O)NC[C@@H](c2ccsc2)c2ccco2)cc1OC 618256907 NOURMUUGXUYPGC-INIZCTEOSA-N 386.473 3.990 0 40 GHAB COc1ccc(-c2nc(CCNC(=O)c3cc(Cl)cc(OC)c3)co2)cc1 1142964618 GAIVLTILCMHFKY-UHFFFAOYSA-N 386.835 3.985 0 40 GHAB FC(F)(F)c1cc(NC2CC3(CCN(Cc4ccccn4)CC3)C2)ncn1 1565541730 WHMMZXXFXLBOFH-UHFFFAOYSA-N 377.414 3.747 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@](O)(COc2ccccc2)CC1 2037909239 HNMJOIBESLKNTC-HSZRJFAPSA-N 378.472 3.533 0 40 GHAB CN(Cc1ccccn1)[C@@H]1CO[C@@]2(CCCN(C(=O)c3cccc(Cl)c3)C2)C1 2055837518 XYLCRIIJIKJPPF-UNMCSNQZSA-N 399.922 3.631 0 40 GHAB COC(=O)C1=C(N)Oc2cc(N(C)C)ccc2[C@H]1c1ccc(Cl)cc1Cl 621946 OPERKJFQOSLDQS-MRXNPFEDSA-N 393.270 3.927 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2nnc(C3CCCCC3)o2)c1 1223393 GSOQKSZINZOGAU-UHFFFAOYSA-N 377.466 3.865 0 40 GHAB Cc1cccc(C)c1NC(=O)NC1(C(=O)NCc2ccncc2)CCCCC1 1344915 XGEQMXIGXQJYFB-UHFFFAOYSA-N 380.492 3.839 0 40 GHAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3)cc2c1 1359539 RPWRAFUYMFCXRP-NRFANRHFSA-N 390.483 3.966 0 40 GHAB CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3ccc(Cl)s3)ccc2c1=O 103125782 ULQSZDDMMMVZCU-VIFPVBQESA-N 393.921 3.911 0 40 GHAB CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 4888427 ATZJDNZKCYMLBQ-UHFFFAOYSA-N 381.476 3.820 0 40 GHAB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccccc3C)o2)c1 4928423 YAHLXFVIXDBCGK-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB O=C(NCc1ccccc1)NC1(C(=O)N2CCc3ccccc3C2)CCCCC1 4981823 HFAKBSMBFITHQL-UHFFFAOYSA-N 391.515 3.774 0 40 GHAB Cc1ccc(-c2nn(CC(=O)N3CCN(c4ccccc4)CC3)c(=S)o2)cc1 6966484 FZQHJBSLRNGCTG-UHFFFAOYSA-N 394.500 3.530 0 40 GHAB COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)c1 7387980 HYAKVNUFHNRJEH-UHFFFAOYSA-N 395.503 3.642 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)C(=O)c1ccc(Br)cc1 72284736 KTACWODQZCBVSH-UHFFFAOYSA-N 389.274 3.900 0 40 GHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(F)cc2)CC1 959116 ZUZTUBPWCJGZGJ-UHFFFAOYSA-N 381.373 3.849 0 40 GHAB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 936889 FBRAQXNZYUKUJM-FQEVSTJZSA-N 389.459 3.831 0 40 GHAB CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 9062806 RNMZTHOGFUHWIT-UHFFFAOYSA-N 379.504 3.676 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc2c(c1)OCCCO2 25029277 YHDGQMKRVDLKSE-UHFFFAOYSA-N 377.444 3.832 0 40 GHAB COc1ccc([C@@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1OC 22530684 LFTBTBNFTHOHRZ-CQSZACIVSA-N 390.439 3.695 0 40 GHAB CN(Cc1ccc(F)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12526075 KKKGIRSJARCMFS-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 57958649 JQRGRKKUIOSSJT-ROUUACIJSA-N 395.400 3.732 0 40 GHAB COC(=O)CCN(C(=O)c1csc(-c2ccccn2)n1)c1ccccc1C 97139715 VJUCLGGYRMIVOD-UHFFFAOYSA-N 381.457 3.723 0 40 GHAB Cc1ccc(-n2c(=O)c3ccccc3n3c(SC[C@H]4CCCO4)nnc23)cc1 12606302 VNYOINDHSRYIGU-MRXNPFEDSA-N 392.484 3.613 0 40 GHAB C[C@H](NCC(=O)Nc1ccccc1I)c1ccccc1 58160700 LEGUIKCFWZQPLF-LBPRGKRZSA-N 380.229 3.581 0 40 GHAB O=C(NC[C@H]([C@H]1CCOC1)N1CCCC1)Nc1ccccc1Cc1ccccc1 58174714 IFMQMWHNIQKFNZ-JTHBVZDNSA-N 393.531 3.900 0 40 GHAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)OC(C)C)CC2=O)c1 27792535 BNDOBCYZLPBROF-QGZVFWFLSA-N 391.471 3.817 0 40 GHAB O=C(NCCc1cccc2cccnc12)NC1CCN(CC2CCCC2)CC1 58392989 AGJIMTFKUCUXIC-UHFFFAOYSA-N 380.536 3.731 0 40 GHAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1ccc(F)cc1Cl 3317324 ZAJQPHKUFGKDIS-UHFFFAOYSA-N 377.586 3.976 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@H]1c1nc2ccccc2[nH]1 10629486 KKLOFYKWLQQZTM-HNNXBMFYSA-N 379.844 3.881 0 40 GHAB O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(OCc2ccccc2)cc1 3310489 LKQVJJIJTZFJDM-UHFFFAOYSA-N 377.396 3.767 0 40 GHAB O=C(NCc1nnc2ccccn12)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 36396805 XEUONFRHWJIIAF-GJZGRUSLSA-N 389.484 3.705 0 40 GHAB O=C(NCc1cccc(Cl)c1)c1cc(=O)c(OCc2ccccc2F)co1 36358168 JAIQPRZHHROOOW-UHFFFAOYSA-N 387.794 3.941 0 40 GHAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 2340275 DBWBDSDBKNDYCG-NRFANRHFSA-N 398.418 3.942 0 40 GHAB CCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)c(C)c2)cn1 36615256 KYYHJIJULWWZLW-UHFFFAOYSA-N 383.517 3.911 0 40 GHAB CCC(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccc(OC)cc1)N2 2423886 SKQVSZXJHBGSGS-ROUUACIJSA-N 395.438 3.921 0 40 GHAB COc1ccc(CCNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 10951367 JGBKPEHRGNYLBB-UHFFFAOYSA-N 383.517 3.660 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cc(F)cc(F)c1 12771425 MRXGVSSVUROQLT-SFHVURJKSA-N 388.414 3.902 0 40 GHAB CCOC(=O)c1ccsc1NC(=O)CSc1nc2ccc(OC)cc2[nH]1 12779736 VVGMQDAFJDDSLA-UHFFFAOYSA-N 391.474 3.541 0 40 GHAB C[C@@H](NC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1)c1ccc(F)cc1 12767794 TZOSMAOSPOFOHK-LLVKDONJSA-N 390.871 3.904 0 40 GHAB COc1cc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc(OC)c1 12780764 MEPMRVNMVVDWDT-DOJUMQAQSA-N 394.471 3.594 0 40 GHAB CC(=O)NCc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 8982656 XMPKZNIRXSGJIQ-UHFFFAOYSA-N 379.485 3.936 0 40 GHAB O=C(NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl)c1cccc(F)c1 20151855 YLQXWUXPVVKRTD-UHFFFAOYSA-N 387.219 3.958 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2csc(-c3ccccn3)n2)c1 12983104 HOXIUISJZJELOA-ZDUSSCGKSA-N 383.473 3.642 0 40 GHAB COc1ccc(CCNC(=O)c2cc(C)nc3c2cnn3C2CCCC2)cc1 71279111 AVEQNSKBMZVSFE-UHFFFAOYSA-N 378.476 3.836 0 40 GHAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 5215504 ZXVCFMVHYPOKLV-OXQOHEQNSA-N 391.423 3.526 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)C3CC3)CC2)c1 14020680 VOLQDLIZQNQIRB-QFIPXVFZSA-N 391.515 3.537 0 40 GHAB C[C@H]1CN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC(C)(C)O1 65610155 BKNAESIHHJVIIG-INIZCTEOSA-N 379.460 3.553 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccccn3)[C@@H]2c2cccs2)cc1 6590400 CUZUTSMOGWANEO-GHTZIAJQSA-N 391.496 3.862 0 40 GHAB CC(=O)Oc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 4663600 JNIFDPLGSQLUBF-UHFFFAOYSA-N 392.377 3.593 0 40 GHAB CCN(CC)C(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 4700666 BXRNYIKEGGHUJR-QGZVFWFLSA-N 388.533 3.527 0 40 GHAB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1 4741189 HZCLMFLFHPTHAA-UHFFFAOYSA-N 386.473 3.697 0 40 GHAB CCc1cc2c(=O)c(-c3nncn3-c3ccccc3)c(C)oc2cc1OC(C)=O 6787079 QEXUQJJIHHBTCL-UHFFFAOYSA-N 389.411 3.837 0 40 GHAB Cc1ccc(C)c(OC[C@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 22793596 BPXFXCIBXWQDDA-OAQYLSRUSA-N 388.939 3.514 0 40 GHAB O=C(CSc1nnc(-c2ccco2)o1)NCCSc1ccc(Cl)cc1 7830709 XTRAJFZDVIHEGW-UHFFFAOYSA-N 395.893 3.984 0 40 GHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCc3ccccn3)cc12 7847654 DROGUYBLADCHFZ-UHFFFAOYSA-N 380.448 3.919 0 40 GHAB CNc1nnc(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)s1 8185064 GPLSPWMADJKFRJ-UHFFFAOYSA-N 386.462 3.886 0 40 GHAB COc1ccc(OCCSc2nnc(-c3ccc(OC)cc3OC)o2)cc1 8156013 CTWPHDNYRKATBD-UHFFFAOYSA-N 388.445 3.934 0 40 GHAB Cn1c(SCC(=O)c2ccc3c(c2)OCCCO3)nnc1-c1ccc(F)cc1 8473112 MVMGQERNGJRGJT-UHFFFAOYSA-N 399.447 3.758 0 40 GHAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1-c1ccccc1 8404058 SMEXFDAHGJNDCM-UHFFFAOYSA-N 377.444 3.547 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1CC(C)C 8770730 NTVPROJROYZJKD-AWEZNQCLSA-N 387.509 3.934 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)[nH]1 9669241 SLZDURKAOBOSIV-SNVBAGLBSA-N 389.864 3.704 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1F)c1ccccc1 9698885 PPNCLEZUYSBBMH-UHFFFAOYSA-N 376.453 3.689 0 40 GHAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@@H]1CCCCN1Cc1ccccc1 95400372 UEXBHVRJKJKWNW-FQEVSTJZSA-N 379.460 3.636 0 40 GHAB Cc1cc([C@H](NCC(=O)Nc2cccc(C(=O)N(C)C)c2)C(C)C)c(C)s1 95462601 ZKMZSBGKVUYRIR-HXUWFJFHSA-N 387.549 3.992 0 40 GHAB CCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 20448372 GRMOQXBTSOQPMU-ZDUSSCGKSA-N 392.908 3.620 0 40 GHAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCCOC 22517611 ZZFXSAYLQMFIAL-QGZVFWFLSA-N 390.867 3.512 0 40 GHAB Cc1ccc(C)c(N(CCCC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)c1 408702910 KARQOBYCUYXGIB-UHFFFAOYSA-N 382.570 3.646 0 40 GHAB CC(=O)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)c(Cl)c1)[C@H](O)C(C)(C)O2 33866477 XLIIRNOPGJTBJD-MSOLQXFVSA-N 391.826 3.685 0 40 GHAB Cn1nc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1NC(=O)C(C)(C)C 35683167 IJTSDUYZIFTEGR-UHFFFAOYSA-N 384.461 3.924 0 40 GHAB CCc1nccn1-c1cccc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 72378923 ZVBYMUDBLQTWGZ-SFHVURJKSA-N 392.478 3.918 0 40 GHAB O=C(C1CCC(OC[C@@H]2CCCO2)CC1)N1CC[C@@]2(CCc3ccccc3O2)C1 552776231 ZRMPJUWJFYVKQN-PXOOEFRDSA-N 399.531 3.737 0 40 GHAB Cc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 33665701 OOQODOHCMJYVPW-UHFFFAOYSA-N 394.924 3.758 0 40 GHAB CN(C(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)C1CCCC1 30855987 LSGLEPXGYTZYAQ-UHFFFAOYSA-N 386.517 3.667 0 40 GHAB Cc1c(N=c2cnc3cc(Cl)c(Cl)cc3[nH]2)cnn1C1CCOCC1 564169066 XOSGSYYVMXMPSY-UHFFFAOYSA-N 378.263 3.959 0 40 GHAB CCc1ccc([C@H](C)NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)cc1 225423089 SHEXIMWSXDTTJS-LBPRGKRZSA-N 381.881 3.729 0 40 GHAB COC(=O)[C@@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)ccc4o3)c2C)C1 45887246 WRJPTXUZRIHHJW-GFCCVEGCSA-N 384.819 3.983 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 225350662 HIAIIBWWZIIMKG-RTBURBONSA-N 396.531 3.960 0 40 GHAB Cc1cc(Sc2ncccn2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225963185 CTBJSGAELBLZCT-ZDUSSCGKSA-N 382.518 3.774 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 225381540 UGVIXPVQGSBCJW-QZTJIDSGSA-N 382.504 3.570 0 40 GHAB COc1cc(CN(CCCn2ccnc2)Cc2ccccc2F)cc2c1OCO2 43277853 DXLWVXIFSACCHQ-UHFFFAOYSA-N 397.450 3.852 0 40 GHAB CCOc1ccccc1CCCNS(=O)(=O)c1c(C)cc(OC)cc1C 225476806 DDGVYJOWOQWBBE-UHFFFAOYSA-N 377.506 3.622 0 40 GHAB CCc1ccc(N(CCCC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1 222642982 UBZCNWWUMNVPJG-UHFFFAOYSA-N 392.565 3.802 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223888139 DIUXZAUOQUGACY-VQIMIIECSA-N 389.517 3.742 0 40 GHAB COc1ccc(/C=C/C(=O)NCCOc2ccc(C)c(Cl)c2)cc1OC 224117052 CVLOMXVKFHVPDD-RMKNXTFCSA-N 375.852 3.874 0 40 GHAB COc1cc(NC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc(OC)c1 96024954 AMZDCQRDIXBVGS-UHFFFAOYSA-N 391.855 3.828 0 40 GHAB Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)N1CCN(c2ccccc2)CC1 95479683 LHOBTLUIQZKCDC-UHFFFAOYSA-N 394.906 3.930 0 40 GHAB O=C(Nc1cccnc1)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1 96267004 MWPLLTCSAAPFMJ-UHFFFAOYSA-N 380.411 3.834 0 40 GHAB Cc1cc([C@@H]2CCCCN2Cc2ccnc(C)n2)nc(-c2c(C)noc2C)n1 257266429 MCZKNXZXYUBNGK-IBGZPJMESA-N 378.480 3.882 0 40 GHAB Cc1cc(N2CCC(CNC(=O)Cc3c(F)cccc3Cl)CC2)ccn1 253406789 UXPUPIMQYOYCIX-UHFFFAOYSA-N 375.875 3.758 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 260844137 FKWQETZDIFDIRX-GJZGRUSLSA-N 388.961 3.827 0 40 GHAB CC(C)OC(=O)N[C@@H](C(=O)N[C@@H](C)c1nc2ccc(F)cc2s1)C(C)C 43065285 USRKFGIXLGKMKU-XHDPSFHLSA-N 381.473 3.772 0 40 GHAB biogenic CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 625101203 CHANLESVMIMYCT-INIZCTEOSA-N 393.471 3.909 0 40 GHAB Cc1nc(N)c2c(C)c(C(=O)N3CC[C@@](C)(c4cccc(F)c4)C3)sc2n1 652619470 LMLAAFLDXVBRQP-HXUWFJFHSA-N 384.480 3.833 0 40 GHAB O=C(c1ccc(NCc2cccc(OC3CC3)c2F)cc1)N1CCC(O)CC1 656773625 PRLAKPZSIUANTF-UHFFFAOYSA-N 384.451 3.576 0 40 GHAB O=C(N1CC2(C[C@H](OCc3ccccn3)CS2)C1)C12CC3CC(CC(C3)C1)C2 575404876 FGFGHAFIPXLQHU-BUMILGAPSA-N 398.572 3.901 0 40 GHAB COc1ccc([C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 170184956 NOVPVHACICKVBS-HXUWFJFHSA-N 377.440 3.834 0 40 GHAB NS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NC2CCCCC2)cc1 78964265 HMZFZEPLKYSBFV-UHFFFAOYSA-N 390.530 3.548 0 40 GHAB CCCNC(=O)N1CC[C@H]2CC(=O)Nc3cc(C(C)C)ccc3OCC[C@H]2C1 1534646081 ARAGJHFTBNNYIG-ROUUACIJSA-N 387.524 3.979 0 40 GHAB CC(C)(C)N1C[C@H](NC(=O)C[C@@H](c2ccc(Cl)cc2)n2cccc2)CC1=O 1565524826 PNBKQAHBZJRTNI-MSOLQXFVSA-N 387.911 3.637 0 40 GHAB COc1cc2c(cc1CN1C[C@@H]3CCC[C@H](C1)C3(O)c1ccccn1)CCC2 12135187 MYARDDFBXYNEKE-SVGJNIJCSA-N 378.516 3.699 0 40 GHAB O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCCN(Cc3ccncc3)[C@H]2C1 12144166 GMVHIAYHFAFPPC-MJGOQNOKSA-N 389.421 3.837 0 40 GHAB Cc1cc(C(=O)N2CCN(c3nc4c(C)ccc(Cl)c4s3)CC2)on1 12422460 JOABKTLTJMCWPN-UHFFFAOYSA-N 376.869 3.517 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 14796005 NZYCQUOZASUUCM-CQSZACIVSA-N 390.867 3.512 0 40 GHAB CC(C)(C)OC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 14852968 JEIQIYDAUSZRPZ-UHFFFAOYSA-N 380.488 3.898 0 40 GHAB O=C(OCc1ccc(Br)cc1F)c1cc(=O)[nH]c2ccccc12 16046728 YLTWKTZBNQJKFN-UHFFFAOYSA-N 376.181 3.787 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 16819062 UVCMSERAWWOWCF-IYBDPMFKSA-N 393.462 3.987 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2nc(-c3ccsc3)cc(=O)[nH]2)C1 19333248 JCJPHULWGMVXIG-OAHLLOKOSA-N 397.475 3.586 0 40 GHAB C[C@@H]1CN(C(=O)C2(Cc3ccccc3-c3cccnc3)CCOCC2)C[C@@H](C)O1 19497227 GDJIGDZHOHKLQL-RTBURBONSA-N 394.515 3.724 0 40 GHAB Cc1cc(C)c2cc(C)c3nnc(SCC(=O)Nc4cc(C)on4)n3c2c1 35313323 AKMGZSLKSMFXFP-UHFFFAOYSA-N 381.461 3.835 0 40 GHAB O=C(Cc1ccccc1Cl)N1CCC(c2noc(-c3cccnc3)n2)CC1 12186978 ULOUNXLGIOSXBL-UHFFFAOYSA-N 382.851 3.734 0 40 GHAB Cc1ccc(-c2ccccc2CC2(C(=O)NC[C@@H](C)O)CCOCC2)c(C)c1 12231597 KJOZIMAECPUYOQ-LJQANCHMSA-N 381.516 3.807 0 40 GHAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 5265643 HEIMXLMUVHDTOC-OAQYLSRUSA-N 399.878 3.869 0 40 GHAB Cc1cc(C(=O)NCCc2csc(-c3ccc(F)cc3)n2)nc(C2CC2)n1 1888920889 FLFSUENOCKCYBS-UHFFFAOYSA-N 382.464 3.898 0 40 GHAB CCCn1cc(C(=O)N2Cc3cccc(C)c3NCC[C@H]3CC[C@@H](C2)N3C)cn1 2037946852 FVVQDURYBFOEQV-RTWAWAEBSA-N 395.551 3.522 0 40 GHAB Cc1nc(C)c(C(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)s1 38488277 BKCNZWGVPQVAPB-UHFFFAOYSA-N 391.460 3.732 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)Nc1ccc(F)cc1F 4164119 PVOLRJYPLADFKW-UHFFFAOYSA-N 397.410 3.800 0 40 GHAB COc1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1 9036242 HHEQLECSDIBGGU-UHFFFAOYSA-N 390.439 3.668 0 40 GHAB CC1(C)COc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2NC1=O 9173313 LGUXHJZBWNWPJM-UHFFFAOYSA-N 396.468 3.998 0 40 GHAB Cc1ccccc1-c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)nn1 13661929 UJFLKYLORFLEHA-UHFFFAOYSA-N 376.435 3.554 0 40 GHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)Cc3cccc(C)c3)ccc21 17286769 VDUJLTHLDFTNCU-UHFFFAOYSA-N 386.517 3.669 0 40 GHAB CCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O 100205676 KGNXBHGLNZOQOK-ULQDDVLXSA-N 391.254 3.860 0 40 GHAB CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccsc3)CC2)cc1 43940978 CKEKJQSXGJXOHE-UHFFFAOYSA-N 399.560 3.838 0 40 GHAB O=C1COc2ccccc2N1Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1 49422358 QKTYWXAMIGKNGG-UHFFFAOYSA-N 391.305 3.561 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618254907 GUAXBHFZNBTLKX-CQSZACIVSA-N 398.850 3.977 0 40 GHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NCc2ccc(F)cc2)cc(=O)[nH]1 19285165 ZSNOYKJJTYAAEC-HXUWFJFHSA-N 376.435 3.772 0 40 GHAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3cccc(O)c3)C[C@H]2C[C@@H]1OCC1CC1 2332242630 DMNRKNOCWFQPIS-MQFRRQCYSA-N 381.520 3.775 0 40 GHAB O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCN1C(=O)c1ccccc1 40058223 YDZKYZKXBYRDQX-QGZVFWFLSA-N 377.271 3.914 0 40 GHAB CN(CCN(C)C1CCCCC1)C(=O)CCNC(=O)c1ccc2ccccc2c1 40151680 RIGBTBDQMQDRCI-UHFFFAOYSA-N 395.547 3.683 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2cc(F)cc(Br)c2)nc1C 40129549 XJAAIHDQDOMRTG-UHFFFAOYSA-N 387.230 3.782 0 40 GHAB Cc1cccc(-n2ncc(C(=O)NCc3cccc(N4CCCC4=O)c3)c2C)c1 31778338 OEICSGFOBHQEKV-UHFFFAOYSA-N 388.471 3.546 0 40 GHAB COc1ccc(C2=Nn3c(nnc3-c3ccc(OC)cc3OC)S[C@H]2C)cc1 32739788 VUZUNFWEOZTLQO-LBPRGKRZSA-N 396.472 3.718 0 40 GHAB CN(C)[C@@H](CNC(=O)/C=C/c1ccccc1OC(F)F)c1cccc(F)c1 32730220 DDEIPKWVPOHMNH-DVQDXYAYSA-N 378.394 3.859 0 40 GHAB CC[C@H](C)c1ccc(NC(=O)[C@H](C)Sc2nnc(C(C)(C)C)n2N)cc1 21740745 UFMONRIALDDLEY-STQMWFEESA-N 375.542 3.922 0 40 GHAB CC[C@@H]1CN(c2ncccc2C(=O)Nc2ccc(Br)cc2)CCO1 32932696 OBFZVTMQABYZPE-OAHLLOKOSA-N 390.281 3.712 0 40 GHAB COc1ccc(N[C@@H](NC(=O)c2ccc(OC)cc2)C(=O)c2ccccc2)cc1 631802 LXESOVBKJGWTSD-QFIPXVFZSA-N 390.439 3.755 0 40 GHAB CCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)NCc1ccco1 675758 QNBXUTSJJJQJBJ-HMMYKYKNSA-N 390.439 3.766 0 40 GHAB COc1cc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc(OC)c1 779160 SMZBROSYLKHJAV-UHFFFAOYSA-N 398.488 3.539 0 40 GHAB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)NCC1CC1 1355128 YZCSUIBWYOMWJL-UHFFFAOYSA-N 397.450 3.663 0 40 GHAB CCc1cc(=O)oc2cc(OC(=O)CCNC(=O)OCc3ccccc3)ccc12 2091802 SSLYMWNBRLOHHP-UHFFFAOYSA-N 395.411 3.577 0 40 GHAB biogenic O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@@H]1CCCO1 2414970 ULXQRDWHCPNLOH-KXBFYZLASA-N 397.377 3.795 0 40 GHAB CN(C(=O)Nc1ccccc1)[C@H]1c2cc(Br)ccc2OC[C@H]1CO 3133902 XBKIGQDDHWZPJO-SJKOYZFVSA-N 391.265 3.655 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)cc1 3330143 QBRPNDAUCWBGBN-UHFFFAOYSA-N 398.278 3.735 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)O[C@H]3CCOC3=O)cc12 3470918 BKQPFEMGEGXRCT-AWEZNQCLSA-N 390.848 3.580 0 40 GHAB CCc1ccc(-n2c(SCC(=O)N[C@H](C)CC)nnc2-c2ccncc2)cc1 3580332 NPRQYMDAIMZNFA-OAHLLOKOSA-N 395.532 3.899 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)c1 4077924 CWWQGGYRAAZKAK-UHFFFAOYSA-N 378.523 3.870 0 40 GHAB COCCn1c(SCc2c(F)cccc2Cl)nc2c(c1=O)SCC2 4339385 VABOUAMEHRNKDZ-UHFFFAOYSA-N 386.901 3.623 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cc3C)n2)cc1OC 4384098 VMEBMMIQGDDBTD-UHFFFAOYSA-N 381.432 3.942 0 40 GHAB Cc1csc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2C)n1 4982898 OCPHGBNWVNCCAZ-JTQLQIEISA-N 377.470 3.505 0 40 GHAB COc1ccc(Br)c(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 5102395 LIXANBKZPJVVNR-HWWQOWPSSA-N 398.297 3.555 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)N1CCc2ccccc21 5211060 AQMYCYFJTOXAAC-KRWDZBQOSA-N 389.455 3.624 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2OC(F)F)NC(=S)N1 5787857 ZKIQQMYBELRCES-MRXNPFEDSA-N 389.427 3.720 0 40 GHAB O=C1CCCN1C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 6028779 FCLSHQJEHDAIOI-UHFFFAOYSA-N 377.469 3.985 0 40 GHAB C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(F)cc1 6172621 OOCNQAVPGBHZBD-LLVKDONJSA-N 385.844 3.647 0 40 GHAB COCCCNC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4 6623914 NSJYAWITIZENNX-UHFFFAOYSA-N 397.471 3.730 0 40 GHAB biogenic COc1ccc(-c2nc(CC(=O)N3CCc4ccccc43)cs2)cc1OC 6848823 MXKKHAWFMQQIKE-UHFFFAOYSA-N 380.469 3.959 0 40 GHAB Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 6929605 OWCBLQZDDQPTQV-HZPDHXFCSA-N 386.517 3.914 0 40 GHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 7077884 UCXGMQVWIRILIX-XSHGTHSTSA-N 398.824 3.626 0 40 GHAB O=S1(=O)N=C(N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc21 7735867 WLGPAVSZNLIBBS-CYBMUJFWSA-N 383.498 3.625 0 40 GHAB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)c1ccccc1 7881603 LWYVXNKGCPNSOS-YJBOKZPZSA-N 385.847 3.898 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c(Br)c1 8368287 ZBIUIACQNWGXHU-GFCCVEGCSA-N 391.240 3.888 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)Nc3cc(OC)c(OC)cc3C)CC2=O)cc1 8393317 WKPVYPSPSMYFBX-MRXNPFEDSA-N 382.460 3.566 0 40 GHAB Cc1ccccc1CN(c1ccc(C(=O)NCCC(C)C)cc1)S(C)(=O)=O 8571036 SAMULRBTJANWIP-UHFFFAOYSA-N 388.533 3.737 0 40 GHAB O=C(OCCOc1ccccc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 8668102 ZNEJYMVFENSJSN-UHFFFAOYSA-N 386.407 3.622 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 8729124 NKOGXINVFBBONW-GHMZBOCLSA-N 389.839 3.507 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(F)cc2)c1 9237711 LXYIODACSHQJCO-ROUUACIJSA-N 397.479 3.740 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCCOc2cccc(C)c2)c2ccc(Cl)cc21 9319527 JEWJNACEORLFIR-NRFANRHFSA-N 387.863 3.631 0 40 GHAB Cc1ccc(C(=O)NCCc2ccccc2)cc1NS(=O)(=O)c1ccccc1 10315234 XCUJXCFYZHLBJZ-UHFFFAOYSA-N 394.496 3.768 0 40 GHAB CC[C@@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1ccc(Cl)cc1 10423643 IBVJDLQBZKGLAY-OAHLLOKOSA-N 387.892 3.757 0 40 GHAB O=C(Cc1csc(-c2ccccc2)n1)NCc1ccccc1Cn1cccn1 10542882 QRMGGOVBGNRVPR-UHFFFAOYSA-N 388.496 3.914 0 40 GHAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(CN2CCCC2)cc1 10691136 MGXLTECPJCKSCX-UHFFFAOYSA-N 377.488 3.771 0 40 GHAB CCn1c(N2CCC(C(=O)NCCc3ccccc3F)CC2)nc2ccccc21 12116411 OFLMJLWSDAMLLR-UHFFFAOYSA-N 394.494 3.771 0 40 GHAB O=C1C[C@H](C(=O)N[C@@H](Cc2ccsc2)c2nccs2)c2ccccc2N1 12226811 XKUFTKHMSHLGMI-HOCLYGCPSA-N 383.498 3.731 0 40 GHAB CSc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCN2CCOCC2)cc1 12521812 UMCGUEQTUSZABJ-NRFANRHFSA-N 397.544 3.697 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2ccc(C(C)=O)cc2F)cc1 12786333 JHORQCMXYZRVJR-UHFFFAOYSA-N 375.421 3.936 0 40 GHAB COc1cc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc(OC)c1OC 12816046 KZQCBAHGKOFHQU-UHFFFAOYSA-N 393.443 3.639 0 40 GHAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2cnn(C)c2C)cs1 12920178 PNXLSMOLNRMYBF-UHFFFAOYSA-N 398.488 3.843 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1 13004354 RJOCJYLAQNUCRE-UHFFFAOYSA-N 379.485 3.896 0 40 GHAB O=C(NCCCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1 13632434 PVNSXDGQLWBUNU-UHFFFAOYSA-N 394.496 3.850 0 40 GHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2c(C)nc3ccc(Cl)cn3c2=O)c1 13707212 FSOHWPLSGMQUEG-CQSZACIVSA-N 385.851 3.679 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)N1CCc2sccc2C1 14304352 VCUHDGFKPUIFGY-UHFFFAOYSA-N 398.509 3.922 0 40 GHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H](NC(N)=O)c1ccccc1 14383365 VBQAEHNUQNVXMR-INIZCTEOSA-N 380.275 3.752 0 40 GHAB COc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 15653464 WGSDHZFANRRLHJ-BSFBHTCNSA-N 396.531 3.519 0 40 GHAB CCOc1ccc(C2=NN(C(=O)CC)c3nc(C)n(C(=O)CC)c3S2)cc1 16777705 IPHKGLATJYCVAF-UHFFFAOYSA-N 386.477 3.851 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)cc2NC1=O 19462187 CZDOEGVADKBFPY-VXGBXAGGSA-N 383.448 3.797 0 40 GHAB Cc1noc2nc(C3CCN(C(=O)c4ccccn4)CC3)cc(C(F)(F)F)c12 19564898 JXRBDLKLXOCCGM-UHFFFAOYSA-N 390.365 3.965 0 40 GHAB Cc1cc(C)n(Cc2c(C(=O)NCc3ccc4[nH]c(C)c(C)c4c3)noc2C)n1 19574354 KBIZSFNJHLFBHP-UHFFFAOYSA-N 391.475 3.873 0 40 GHAB O=C(NCc1ccccc1Cl)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 20628000 PXXRMJSOPPFNLF-LBPRGKRZSA-N 381.234 3.802 0 40 GHAB CSCc1nnc(SCc2cc3c(cc2Br)OCCO3)o1 22094437 QFHQUMDAZKNVHU-UHFFFAOYSA-N 389.296 3.759 0 40 GHAB Cc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3ccco3)nc2c1C 22997930 SUVLKXWLOCKPRD-UHFFFAOYSA-N 399.516 3.875 0 40 GHAB COc1ccc(CN(C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)C2CC2)cc1 23020789 FHCDIFNKJLVXGE-KRWDZBQOSA-N 398.528 3.800 0 40 GHAB COc1ccc2ccccc2c1CNC[C@@H]1CN(Cc2ccccc2)CCO1 23819443 KESHAUNAYJBVIN-OAQYLSRUSA-N 376.500 3.839 0 40 GHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1c[nH]c(=S)n1-c1ccccc1 24816347 JOJAQFVLJSRSJH-MRXNPFEDSA-N 378.501 3.791 0 40 GHAB O=C(NCCSc1ccc(Cl)cc1)NCc1cccnc1-n1ccnc1 26388493 UDRMIFNRJWFURX-UHFFFAOYSA-N 387.896 3.512 0 40 GHAB Nn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1cccs1 29281235 BKHUMPPFIDXFAT-UHFFFAOYSA-N 390.881 3.716 0 40 GHAB CCSCn1nnc(-c2ccc(OC)cc2)c1C(=O)NCc1ccc(C)cc1 32611810 DHCNWQLMBZALRY-UHFFFAOYSA-N 396.516 3.903 0 40 GHAB Cc1ccc(CNC(=O)c2ccccc2NCc2nc3ccccc3c(=O)[nH]2)cc1 32718898 MEXKXFJOFAVWNS-UHFFFAOYSA-N 398.466 3.774 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3)c(C)c2)cc1 32853713 FEDVAQMPKYECFP-INIZCTEOSA-N 380.492 3.993 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)CCc1ncc(-c2ccccc2F)o1 32879590 SFAVJKJFOJLUEG-HNNXBMFYSA-N 396.418 3.712 0 40 GHAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(NC(=O)C3CC3)cc2)no1 32883836 LXXVHDFYGKQPBF-UHFFFAOYSA-N 392.415 3.558 0 40 GHAB COc1ccc(CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc1OC 36356893 MQFIQYKQANEQIF-UHFFFAOYSA-N 379.338 3.780 0 40 GHAB COc1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 36635904 OIGQCDPJWJPIBP-HNNXBMFYSA-N 395.242 3.755 0 40 GHAB COc1cccc(CNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1 40140511 BRJQRRXOAPNEHQ-UHFFFAOYSA-N 383.398 3.578 0 40 GHAB Cc1nc(-c2cc(C)n(CC(=O)NC[C@H]3COc4ccccc4C3)c2C)cs1 41836862 YLIWORMNMQJYPT-KRWDZBQOSA-N 395.528 3.904 0 40 GHAB CCOc1ccc(CNC(=O)c2ccc(Cn3ccnc3C)cc2)cc1OCC 44905205 UOQYOJXVCRIYKO-UHFFFAOYSA-N 393.487 3.967 0 40 GHAB Cc1cc(C(=O)N(Cc2ccc(Br)cc2)Cc2ccccn2)[nH]n1 65488296 FQIGCICNQVMLMI-UHFFFAOYSA-N 385.265 3.718 0 40 GHAB CC(=O)Nc1ccc(CN2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 67898632 JCHJKIZLJIJYQH-NRFANRHFSA-N 376.460 3.609 0 40 GHAB biogenic,in-vitro COc1cccc(N2CCN(C(=O)c3cc(C(C)C)nc4onc(C)c34)CC2)c1 71282406 UDNJWMSYFCTRNF-UHFFFAOYSA-N 394.475 3.626 0 40 GHAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc(F)ccc1F 71980539 GBILYZCDTZYPFB-WCKOCXJASA-N 381.419 3.823 0 40 GHAB CC(=O)Nc1nc(C(=O)N2CCC3(CC2)CC(c2cccs2)=CO3)cs1 72341945 KMYGCTBPEMTSJW-UHFFFAOYSA-N 389.502 3.599 0 40 GHAB Cc1nc(Nc2nnc(C)s2)cc([C@@H]2CCCN2C(=O)c2ccccc2)n1 72360191 LGSQOKSKABQMSC-INIZCTEOSA-N 380.477 3.666 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 72383451 ORVHQOZWFPWNQZ-CYBMUJFWSA-N 375.498 3.866 0 40 GHAB Cc1oc(C(=O)N(CCC(C)C)C2CCCC2)cc1S(=O)(=O)N1CCCC1 78517696 SVMPXJCQOCYKJE-UHFFFAOYSA-N 396.553 3.803 0 40 GHAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(Nc2ncccn2)cc1 79479324 SMYGVXVDECGLDF-UHFFFAOYSA-N 375.407 3.813 0 40 GHAB O=S(=O)(c1cccs1)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 89851164 DHGXNKYCGFOVTN-UHFFFAOYSA-N 398.553 3.922 0 40 GHAB COc1cccc(NC(=O)N2CC(Oc3nc4ccccc4s3)C2)c1OC 90594297 ACBXJYOOBIVMRP-UHFFFAOYSA-N 385.445 3.609 0 40 GHAB COc1ccccc1S(=O)(=O)NCc1ccc(C(=O)c2cccs2)s1 90610591 BKEZUFJDINZALD-UHFFFAOYSA-N 393.511 3.528 0 40 GHAB CCc1nc2cc(NC(=O)[C@H]3CSCN3C(=O)c3ccccc3)ccc2o1 95365184 DTIZUSAOTDQFSX-MRXNPFEDSA-N 381.457 3.544 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccn1)c1cc2ccccc2o1 95471336 VJEKFJXUGFWYKO-GOSISDBHSA-N 385.423 3.808 0 40 GHAB Cc1ccccc1CC(=O)N1CCOC[C@@H]1c1c(C)nn(CC(F)(F)F)c1C 96002582 DLMKJAVJIAETOK-QGZVFWFLSA-N 395.425 3.513 0 40 GHAB COc1ccc(C(=O)c2coc3ccc(OCC(=O)N4CCCC4)cc23)cc1 96101420 VLYLLUGHEOKBNO-UHFFFAOYSA-N 379.412 3.674 0 40 GHAB CN(c1ccc(F)cc1)c1ccc2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cn12 96146192 AMYFRHDMCWTMSX-HXUWFJFHSA-N 380.467 3.622 0 40 GHAB O=C(N[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)OCC1c2ccccc2-c2ccccc21 100981688 CGUNSQHMOYCPJU-MFRYECHYSA-N 375.424 3.800 0 40 GHAB C[C@@H](NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 106372270 GVCUWJSJZOUHHD-YLJYHZDGSA-N 398.503 3.974 0 40 GHAB CC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccccc1 217475589 XEAFOHNBYGRISO-ZIAGYGMSSA-N 376.478 3.635 0 40 GHAB CCc1ccc(OCC(=O)NCCc2ccc(OC)cc2)c(Br)c1 218860529 AOEKIFJIDRTDRX-UHFFFAOYSA-N 392.293 3.758 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 222568049 YKRBYNAGNNACTM-MRXNPFEDSA-N 388.895 3.662 0 40 GHAB CCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NCC(C)C 222750834 PLAWMTANVNECIC-OAQYLSRUSA-N 384.495 3.948 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl 222983423 AIRXAZZDAQULCG-CQSZACIVSA-N 376.859 3.575 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 223093594 GRQMCHQTYKOXBY-SFHVURJKSA-N 396.531 3.878 0 40 GHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CC1 223300682 LFNGBGOPMADCPB-DZFGPLHGSA-N 396.560 3.986 0 40 GHAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223748455 FISGNEFJTIXCHC-GOSISDBHSA-N 394.515 3.714 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224476963 ZSQPYDQBYBWFKL-LJQANCHMSA-N 396.531 3.736 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cccc(Cl)c1 225474974 CYOBZXJRSTXFHL-MRXNPFEDSA-N 388.895 3.661 0 40 GHAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccc(Br)cc1 239808098 KHFNYXXRHMROCY-INIZCTEOSA-N 395.322 3.562 0 40 GHAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCC(Cc2ccccc2)CC1 253398339 GZJFGORNBYJQLD-INIZCTEOSA-N 391.471 3.885 0 40 GHAB biogenic,in-vitro CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 257299369 RPTBUMQSMWNENC-PMAPCBKXSA-N 397.494 3.563 0 40 GHAB Fc1cccc(-c2ccc3c([C@@H]4CN(Cc5ccccn5)CCO4)nnn3c2)c1 306131516 KHJYALGPDTTWQX-NRFANRHFSA-N 389.434 3.504 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)N1CCCC1 408559649 AOSPZICMCPDZSA-UHFFFAOYSA-N 379.869 3.769 0 40 GHAB CCn1ccnc1CN(C/C=C\c1ccccc1OC)[C@@H]1CC12CCNCC2 562630668 JMIOXBFYGTZSMH-RFFSMVSESA-N 380.536 3.569 0 40 GHAB COc1cccc2cc(C(=O)N3CCC[C@@H](Oc4nc(C)cc(C)n4)C3)oc12 575611095 AAPIQDDDSWWQEK-MRXNPFEDSA-N 381.432 3.532 0 40 GHAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(Cc2sccc2C)CC1 583615905 MWPRNHKCFWQEAV-OAHLLOKOSA-N 377.510 3.819 0 40 GHAB CCc1nn(C)cc1CNC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 585082789 IJDWCWCDDAZUCC-IBGZPJMESA-N 376.451 3.754 0 40 GHAB CN(C)C(=O)Cc1ccc(NC(=O)NC2(c3c(F)cccc3F)CCC2)cc1 626288541 XNHDZDNYUSALRU-UHFFFAOYSA-N 387.430 3.796 0 40 GHAB O=C(Cc1cnn2ccccc12)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 648331446 UGIGETRRJCHKAL-GFCCVEGCSA-N 394.422 3.758 0 40 GHAB CC(C)n1ncc2cc(NC(=O)c3cn(Cc4cccc(F)c4)nn3)ccc21 675225569 FYIVOYFZRCZICX-UHFFFAOYSA-N 378.411 3.648 0 40 GHAB Clc1cccc(-c2nccc(N3CCC(c4nnc5n4CCC5)CC3)n2)c1 1119404127 ZVLUOXSDOMQOBE-UHFFFAOYSA-N 380.883 3.719 0 40 GHAB O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1c(O)n[nH]c1-c1ccccc1 1141388653 LJGRNBULGABCJE-UHFFFAOYSA-N 391.349 3.905 0 40 GHAB COc1cnc(C2(NC(=O)c3ccc(C4=CCCC4)cc3)CCCC2)nc1O 1179193527 HKGDYXNOGRZSMY-UHFFFAOYSA-N 379.460 3.957 0 40 GHAB O=C(Nc1ccccc1Cl)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1775973289 LRAWKMFZLDSHFV-UHFFFAOYSA-N 398.772 3.635 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H](N(C)c3ncccc3C(F)(F)F)C2)cc1 1889186942 QGVNOACQNXZXIB-HNNXBMFYSA-N 393.409 3.850 0 40 GHAB CSc1ccc(CN2CCC(Oc3ncc(-c4cnn(C)c4)cn3)CC2)cc1 1889201422 ACJOSVGBZKHKTA-UHFFFAOYSA-N 395.532 3.642 0 40 GHAB O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1nc2ccccc2s1 2645073 XZIASVMLFINIKC-UHFFFAOYSA-N 386.404 3.580 0 40 GHAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCO[C@H](c2ccc(F)cc2)C1 46577922 KSMNUVWLHKFOAZ-INIZCTEOSA-N 389.370 3.607 0 40 GHAB CCOC(=O)C(C)(C)Sc1nnc(COc2ccc(Cl)c(C)c2)n1C 933815 GONPLSUNKGTRLA-UHFFFAOYSA-N 383.901 3.790 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)NCCCCN2CCC[C@H](C)C2)cc1 78480256 PWGJBUWGFREVIM-HGZMWJMZSA-N 387.524 3.897 0 40 GHAB CCCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1 1926408 ZPHRMJAGQBTJTL-UHFFFAOYSA-N 391.470 3.767 0 40 GHAB CC(C)Cc1ccc(S(=O)(=O)NC[C@H](C[C@H](C)O)c2ccccc2)cc1 79105727 AKDPHSIAUYLZSK-PXNSSMCTSA-N 375.534 3.718 0 40 GHAB Cc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)c1 680943 OQCFKTSFTIYXQU-UHFFFAOYSA-N 379.441 3.967 0 40 GHAB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1cccc(F)c1F 72080211 GRHAVTGPMDCNSZ-UHFFFAOYSA-N 385.370 3.687 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(F)c(F)c2)c(OC)c1 7719580 WMYPJIDTEUEOKA-GOSISDBHSA-N 376.403 3.758 0 40 GHAB Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1Cl)S(C)(=O)=O 786790 GQFVVDAEIKUZNW-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 104188585 HTKZQCYQQBUGLE-BJZITVGISA-N 392.455 3.873 0 40 GHAB Cc1ccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)cc1Cl 2917427 LWRDUVJCJWRGQG-UHFFFAOYSA-N 380.835 3.709 0 40 GHAB CCOC(=O)Nc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1OC 12413599 TZLIUSCYXZPCSJ-UHFFFAOYSA-N 386.404 3.564 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)cc2)o1 8088443 QPDXDRWMLODMPS-UHFFFAOYSA-N 383.473 3.962 0 40 GHAB COc1cc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc(OC)c1OC 8361701 IHFINVVGOBYTTC-CQSZACIVSA-N 375.490 3.818 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)on1 100743597 RBCJMKPPYHLCEL-CALCHBBNSA-N 391.475 3.847 0 40 GHAB CCCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccc(F)cc3)C3CC3)C2=O)cc1 102819588 YVAHNBJDCHFUQC-OAQYLSRUSA-N 396.462 3.911 0 40 GHAB COc1cccc([C@@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)c2nccn2C)c1 24021195 CQBTXPVIKWFRBE-CQSZACIVSA-N 379.247 3.583 0 40 GHAB Cc1ccc(-c2nnc3s/c(=C/c4ccc(C(C)(C)C)cc4)c(=O)n23)cc1 9189064 JXSIMVFTRVHRRG-QGOAFFKASA-N 375.497 3.972 0 40 GHAB O=S(=O)(c1ccccc1)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12 1386217 QKEKFMXRCOQATH-UHFFFAOYSA-N 395.284 3.600 0 40 GHAB CC(C)c1ccccc1-n1c(-c2cccnc2)nn(CN2CCOCC2)c1=S 25338243 NSIUNANDSFTBBP-UHFFFAOYSA-N 395.532 3.878 0 40 GHAB COc1ccc2c(-c3ccccc3)c(C(=O)/N=c3\[nH]nc4ccccn34)oc2c1 56081511 VYUVJZAEEPDUHT-UHFFFAOYSA-N 384.395 3.825 0 40 GHAB COc1ccc(OC)c(CN(C(=O)c2ccc(-c3nc(C)no3)cc2)C2CC2)c1 25809582 AVEXIHDOEMIZRJ-UHFFFAOYSA-N 393.443 3.867 0 40 GHAB CN(Cc1nc(-c2ccco2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 47911352 PBVAIXKIINJLRL-BBRMVZONSA-N 380.231 3.727 0 40 GHAB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccco1)CO3 57140621 NYXZYIDGPPUVES-UHFFFAOYSA-N 397.427 3.542 0 40 GHAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccc2c(c1)OCO2 3257322 VKQZZFPHTPBEOB-UHFFFAOYSA-N 389.407 3.556 0 40 GHAB Cc1ccc(NC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)cc1C 101301735 MQMIFEMCDZIXCK-UHFFFAOYSA-N 385.423 3.960 0 40 GHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2C)cc1 35507565 BBPLHVJLPQXILA-IBGZPJMESA-N 375.432 3.523 0 40 GHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCN(C)C[C@H]1c1ccccc1 58370713 FAKRLKRTGCYONG-NRFANRHFSA-N 392.503 3.864 0 40 GHAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)C1CCN(Cc2ccccc2)CC1 58428158 OTSCSFDVVUPOOU-FQEVSTJZSA-N 395.522 3.680 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)CSc1nnc(-c2cccs2)n1C 10710592 ZBLMFCJLVPVPCE-UHFFFAOYSA-N 390.509 3.824 0 40 GHAB CC(C)(C)c1ccccc1OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 10781971 PJJBAPGWZILXBH-UHFFFAOYSA-N 394.515 3.784 0 40 GHAB O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1c[nH]nc1-c1ccccc1 12729391 XJUWYMFPKCLEHA-OAQYLSRUSA-N 389.455 3.987 0 40 GHAB C[C@@H](C(=O)NC(C)(C)C)S(=O)(=O)Cc1ccccc1Oc1ccccc1 45347289 PCPLBQKOWDZNIM-HNNXBMFYSA-N 375.490 3.697 0 40 GHAB CC[C@@H](C)COC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc3ccccc3nc12 2387557 XQFSYWUFOJQESS-ZIAGYGMSSA-N 382.464 3.549 0 40 GHAB CCCCCc1nnc(NC(=O)c2cccc(NS(=O)(=O)CCC)c2)s1 29653770 ZUNIWSLYMHLXHI-UHFFFAOYSA-N 396.538 3.675 0 40 GHAB C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1F 12786215 UMTRSMJOAHIVKO-FLVLSHQESA-N 380.463 3.955 0 40 GHAB O=C(NCc1ccc(Cl)cc1Cl)c1cccc(CN2CCOCC2)c1 20039430 WZBIHWYLAFBEIK-UHFFFAOYSA-N 379.287 3.756 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)NCCSc2ccccc2)c1 48366824 TZDFVSIZUGYDSM-UHFFFAOYSA-N 384.910 3.657 0 40 GHAB Cn1c(SCC(=O)c2ccc(OC(F)F)cc2)nc2ccsc2c1=O 8993894 YLGXUGIWFSAYDF-UHFFFAOYSA-N 382.413 3.571 0 40 GHAB CCc1sc(C(=O)NCC(=O)N(CC)Cc2ccc(OC)c(F)c2)cc1C 12939477 ZQIQOYVYNMFNOD-UHFFFAOYSA-N 392.496 3.545 0 40 GHAB CC(C)Cc1ccc([C@H](C)NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1 13038325 YNKMJMYIOHGEQW-KRWDZBQOSA-N 399.510 3.772 0 40 GHAB CC[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(OC(F)F)cc1 13020262 GCSSDVPGBKTBPZ-OAHLLOKOSA-N 394.443 3.615 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2nnc(CCCOc3ccccc3)s2)c1 9095404 FUPXZSOHZKUOKP-UHFFFAOYSA-N 399.472 3.819 0 40 GHAB CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)/N=c1\[nH]c2ccccc2s1 13552484 HZXBJUOLTPGRPM-CRAIPNDOSA-N 395.509 3.705 0 40 GHAB COc1cccc(-c2noc(Cc3nnc(-c4cccc(C)c4)o3)n2)c1OC 65185521 NJLTXXVFUQRULA-UHFFFAOYSA-N 378.388 3.703 0 40 GHAB COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)cc1 5206336 PZEORIFGPSWNIS-YKSBVNFPSA-N 398.418 3.776 0 40 GHAB Cc1ccccc1[C@@H]1C[C@H](c2ccc(Br)s2)Nc2nnnn21 6303010 DIQRLWKZFNDCMC-NEPJUHHUSA-N 376.283 3.952 0 40 GHAB Cc1cccc(C)c1OCc1nnc(SCc2nc3ccccc3c(=O)[nH]2)o1 4736010 HHYVHPXOFDWCPP-UHFFFAOYSA-N 394.456 3.794 0 40 GHAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCn1ccc2ccccc21 9367721 MALPMBLMUDTRBO-LJQANCHMSA-N 379.485 3.651 0 40 GHAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1c(Cl)cccc1Cl 16050713 VSWRJTLBCSKCOO-UHFFFAOYSA-N 391.210 3.630 0 40 GHAB CC1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)CC1 69304540 XUECQAMSSUYDEG-KRWDZBQOSA-N 396.453 3.745 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CC(C)C)c1 8395245 WUKITMODRHSBAF-UHFFFAOYSA-N 395.569 3.692 0 40 GHAB COc1cc([C@@H]2CC(O)=Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccccc1 17043378 GKWGHFHNQWRBFD-INIZCTEOSA-N 391.427 3.790 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccncc2)cc1 17584861 CISSDHFOKBAXAE-UHFFFAOYSA-N 381.457 3.549 0 40 GHAB O=C(NC1CCCCC1)[C@H]1CCCN(Cc2cc(Cl)c3c(c2)OCO3)C1 69979680 KHBTWFFHGJSJBA-HNNXBMFYSA-N 378.900 3.730 0 40 GHAB CN(c1ccc(OC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1)S(C)(=O)=O 83869384 DJKHNZHYFMJDRE-UHFFFAOYSA-N 398.484 3.662 0 40 GHAB O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc(-c2cccc(Cl)c2)[nH]n1 95369441 BMBYGQRMFQPSSB-UHFFFAOYSA-N 382.786 3.702 0 40 GHAB COC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)Sc1ccc2ccccc2c1 89396150 USEDIDDBCQJUEV-IBGZPJMESA-N 391.448 3.770 0 40 GHAB Cc1ccc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccc2)s1 306136024 PGWWMKSKCKFEBC-NHCUHLMSSA-N 377.513 3.940 0 40 GHAB CCc1ccccc1N(CC(=O)N[C@H](C)c1cc(C)ccc1C)S(C)(=O)=O 22329798 STUIADKYCZXOOL-QGZVFWFLSA-N 388.533 3.509 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 306143046 XRQFVPCEWFNEGT-IBGZPJMESA-N 398.470 3.515 0 40 GHAB CCN1CCN([C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)CC1 22929802 RYDVWYACHVLBNW-HXUWFJFHSA-N 387.911 3.666 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)N1CCCCC1 408592843 OWKMHXIJAOVMQR-UHFFFAOYSA-N 395.431 3.783 0 40 GHAB Cc1cc(C)cc(CN2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 306126762 FEQVQXOZDSLTHV-QHCPKHFHSA-N 399.498 3.982 0 40 GHAB S=C(NCCN1CCOCC1)c1ccc(OCc2ccccc2Cl)cc1 408571826 CROLPPHPRXAWCO-UHFFFAOYSA-N 390.936 3.516 0 40 GHAB O=C(Cc1ccccc1)N1CC[C@]2(C1)CN(Cc1ccccc1)c1cccnc12 306135807 PBMMQCFLRLKDFO-VWLOTQADSA-N 383.495 3.815 0 40 GHAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)N[C@@H]5CCc6ccc(-c7ccccc7)cc65)[C@H]1[C@H]3[C@@H]42 505979701 UMCVVGJSQXEEIZ-HIWYJKPNSA-N 381.475 3.784 0 40 GHAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2C[C@@H](CO)OC[C@H]2C)c(C(C)C)c1 1561349885 QTUSWCVNQRZJOP-AEFFLSMTSA-N 397.581 3.827 0 40 GHAB CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCOc3cccc(F)c3C2)cc1 513126826 YVKWYDLLMSHMTK-MRXNPFEDSA-N 385.435 3.536 0 40 GHAB CC(C)C1=NN(C(=O)c2cccc(Br)c2)[C@](O)(C(F)(F)F)C1 409066184 HKYDAICOAGLYNF-CYBMUJFWSA-N 379.176 3.558 0 40 GHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(O)c(Cl)c3)C2=O)o1 34853217 QULYUSXXGCUKKF-VGOFMYFVSA-N 393.804 3.662 0 40 GHAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 32601615 ZIGRTCWLFKRMHL-UHFFFAOYSA-N 377.462 3.882 0 40 GHAB O=C([C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2)N1CCOCC1 32101226 SHRBEIALFVDWKN-NRFANRHFSA-N 396.531 3.730 0 40 GHAB C[C@H]1CN(c2ccc(CNC(=O)c3csc4c3CCCC4)cn2)C[C@@H](C)O1 32930460 FARUMUQLKPIARX-GASCZTMLSA-N 385.533 3.566 0 40 GHAB CC1=C[C@@H](CNC(=O)CCC(=O)O)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 72320907 MJMQLZAPRMQZHM-BZSNNMDCSA-N 397.519 3.941 0 40 GHAB biogenic,in-vitro CCc1cc(-c2cc(NCCCc3ccc(OC)c(OC)c3)nc(C)n2)n(C)n1 72373282 DKPYTFTUASYHQR-UHFFFAOYSA-N 395.507 3.810 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2ccccc2F)CC1 35088676 PHJKWLGEYWBQCC-ISHFTEKXSA-N 392.559 3.786 0 40 GHAB Cc1cc(-c2nn3c(Cc4c(Cl)cccc4Cl)nnc3s2)n(C)n1 36353741 YABHVFVKZYFLPU-UHFFFAOYSA-N 379.276 3.792 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n2cnnc12 64948859 IXESNJBETBYDBO-UHFFFAOYSA-N 399.863 3.670 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(Cl)c1 30861069 FWSLNYJCFMFEBQ-UHFFFAOYSA-N 393.823 3.795 0 40 GHAB C[C@@H](C(=O)N1CCc2ccccc21)n1nnc(-c2cccc(C(F)(F)F)c2)n1 36803682 OCKUZYNNEVSPJO-LBPRGKRZSA-N 387.365 3.509 0 40 GHAB CCn1c(CN2CC[C@H](Cc3ccc(F)cc3)C2)nc2cc(C(=O)O)ccc21 563631083 OWVGBRHAVGLKAH-MRXNPFEDSA-N 381.451 3.958 0 40 GHAB CN1CCN(Cc2ccccc2CNC(=O)c2cccc(Cl)c2Cl)CC1 40089771 MEFJRGMDRATNPV-UHFFFAOYSA-N 392.330 3.671 0 40 GHAB CCc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)Cc3ccccc3)CC1)O2 225818166 YHXXHHPEJMUGHP-UHFFFAOYSA-N 399.512 3.579 0 40 GHAB COC(=O)c1c(NCc2cccc(C(F)(F)F)c2)c2ccccc2[nH]c1=O 49001581 WSMAHQILUMOTBN-UHFFFAOYSA-N 376.334 3.946 0 40 GHAB CCOc1cc2c(cc1[C@@H]1[C@@H](c3ccccn3)N=C3S[C@@H](C)CN31)OCO2 222566905 IMKDNGBJKYEXHD-GESALYCCSA-N 383.473 3.798 0 40 GHAB C[C@H](NC(N)=O)c1noc([C@@H]2CN(Cc3ccccc3)C[C@H]2C2CCCCC2)n1 528191920 DEVDNYLKWLBLMN-ZYSHUDEJSA-N 397.523 3.595 0 40 GHAB CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223705504 JCZAAUKGGRUMFU-UHFFFAOYSA-N 375.490 3.667 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 48063513 STHRLAPEPIEFFL-CYBMUJFWSA-N 383.452 3.912 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1 223995608 OZUYLYJKSFUSFR-WOJBJXKFSA-N 391.500 3.854 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)nn2)n1 77197136 IXTYDBNNHUKLDO-UHFFFAOYSA-N 384.852 3.795 0 40 GHAB CCc1ccc2oc(-c3cc(N4C[C@H](C(N)=O)CC4=O)ccc3Cl)nc2c1 45887637 PWCGMMMZHHDXKV-GFCCVEGCSA-N 383.835 3.549 0 40 GHAB Cc1ccc(-n2nc(NC(=O)[C@H]3CCCN(C(=O)NCC(C)C)C3)cc2C)cc1 539450777 TYKKTECTLWZZBS-SFHVURJKSA-N 397.523 3.505 0 40 GHAB O=C(Cc1cccc2cccnc12)N1CCC(c2nc(-c3ccccn3)no2)CC1 588145659 TUNQTRPFPBKTKD-UHFFFAOYSA-N 399.454 3.629 0 40 GHAB Nc1nccc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257308301 TWFZIXZUHVLJQT-GOSISDBHSA-N 388.471 3.804 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)NCCCSc1ccc(F)cc1 24729635 VRKSMUAVRRWLKQ-UHFFFAOYSA-N 388.464 3.812 0 40 GHAB COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1CC2(CCCO2)C1 626336639 ZDBHIYOKCQIXTM-UHFFFAOYSA-N 386.423 3.810 0 40 GHAB CCC(CC)(NC(=O)[C@@H]1CC[C@H](C(=O)O)NC1)c1ccc(Cl)c(Cl)c1 630683225 HLTOWJPRIISYNG-IAQYHMDHSA-N 387.307 3.578 0 40 GHAB COCC1(C2CCC2)CN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)C1 664208876 ANACNORFYICFNZ-LPHOPBHVSA-N 391.581 3.589 0 40 GHAB O=C(O)Cc1ccccc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 676211948 VDIREFCJCDZBDE-OAHLLOKOSA-N 395.484 3.779 0 40 GHAB CC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2cn3c(n2)SCC3)cc1 390825967 UWTKBIZBYCYHAY-UHFFFAOYSA-N 393.468 3.876 0 40 GHAB O=S(=O)(CCNc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 64914683 HISLEEALNNSQGT-UHFFFAOYSA-N 381.379 3.534 0 40 GHAB CCc1ccc([C@H](NC(=O)Cn2cnc3ccc(F)cc3c2=O)C(C)C)cc1 32411936 DOMKTLPBQLLDKC-OAQYLSRUSA-N 381.451 3.612 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)c(C)c1 57381132 LVJKBZZIOINFAD-QFIPXVFZSA-N 379.504 3.502 0 40 GHAB O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)NCc1cccc(Cl)c1 12895805 AHXTVIIDMNMRQE-UHFFFAOYSA-N 393.299 3.857 0 40 GHAB CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714355 PVWSPZJAWUXZIA-GOSISDBHSA-N 394.924 3.509 0 40 GHAB Cc1ccc(C)c(N(CCCC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1 14396687 NCFKQVNVJNOHRR-GOSISDBHSA-N 388.533 3.727 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1C 14607338 NNDNFOHWUNNROM-INIZCTEOSA-N 395.850 3.737 0 40 GHAB O=C(NCCC(=O)N1CCCc2ccccc21)c1ccc(Br)cc1 16022965 XAFZYMGZHBQOHJ-UHFFFAOYSA-N 387.277 3.548 0 40 GHAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)CC(C)(C)C)n1 19697345 BYBYKKQVQNEQCL-GOSISDBHSA-N 395.551 3.512 0 40 GHAB CN(C)CC1CCC2(CC1)CN(C(=O)Cc1ccccn1)Cc1ccccc1O2 12133594 PXPHEHGSUHFFNF-UHFFFAOYSA-N 393.531 3.536 0 40 GHAB CCOc1cc(CN2CCC(c3nn(C)c4ncccc34)CC2)ccc1OC 12186682 PPBACMJAOJGIPP-UHFFFAOYSA-N 380.492 3.755 0 40 GHAB CC1(C)CN(C(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)CC[C@H]1O 572511427 HWPFVCWLWOPBLA-LJQANCHMSA-N 383.879 3.912 0 40 GHAB O=C(CC(c1ccccc1)c1ccccc1)N1CCCN([C@@H]2CCOC2)CC1 1849023078 TXJMTPLNWZLHOU-JOCHJYFZSA-N 378.516 3.532 0 40 GHAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1ccc(Cl)cn1 21957022 ROZBWJOMUCPEOV-SNVBAGLBSA-N 391.859 3.789 0 40 GHAB O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)Nc1cccc(F)c1 4356652 XTUVZGURUKVWTP-UHFFFAOYSA-N 383.404 3.742 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5099254 SNRYWSWDCVGAQL-UHFFFAOYSA-N 380.444 3.645 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O 5304320 RHRFIEMBFWENML-UZLBHIALSA-N 375.472 3.753 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)c(C)c1 9168711 UDGUBNGTEKKOTN-UHFFFAOYSA-N 388.489 3.770 0 40 GHAB Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)n2nnnc2N3)cc1 10336849 CFWKDMVWSQTVFT-VXKWHMMOSA-N 394.438 3.936 0 40 GHAB COc1cccc(Cn2cc(-c3nc(-c4ccc(F)cc4)no3)ccc2=O)c1 49007427 JFUXFZHTAXTLTK-UHFFFAOYSA-N 377.375 3.761 0 40 GHAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccccc1C(=O)O 5879849 JUJCWNOWURQWOV-UHFFFAOYSA-N 380.425 3.673 0 40 GHAB CC(C)Oc1ccc(/C=C/c2nc3ccccc3c(=O)n2CCC(=O)O)cc1 40139852 CEPYYMDJNMCLKU-FMIVXFBMSA-N 378.428 3.829 0 40 GHAB CCN(CC)c1ccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 30581933 XKJFWFPOLFARQE-UHFFFAOYSA-N 396.516 3.811 0 40 GHAB COc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3nc(CCCO)nc3N2)cc1 100806482 XBMRTBXTCKZQHA-LJQANCHMSA-N 396.878 3.921 0 40 GHAB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)Cc2ccccc2)CC1 20412559 CBFFXGLNLFOHHE-UHFFFAOYSA-N 399.922 3.826 0 40 GHAB Cc1ccc2[nH]c(C)c(CC(=O)Nc3cccnc3N3CCSCC3)c2c1 51988665 FEZLBNXZQJIWJG-UHFFFAOYSA-N 380.517 3.914 0 40 GHAB Cc1nc(CN2CCN([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)CC2)cs1 32761123 ZUTASKIBDHCFTI-AWEZNQCLSA-N 392.956 3.558 0 40 GHAB CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1C 32753753 NKZGRIUESWYPEQ-UHFFFAOYSA-N 385.489 3.506 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1cccc2cccnc12 32900045 SFVMHJLBGUNAPT-MDZDMXLPSA-N 392.411 3.691 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)o2)cc1 778567 CGXHGMKSJVWGGX-UHFFFAOYSA-N 383.429 3.547 0 40 GHAB COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2ccccc2F)c1C 871539 FEQDZULPORCXGP-UHFFFAOYSA-N 378.425 3.829 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC4(CCCCCC4)C3)ccc21 79044785 BXQIQRBGKJXLCV-UHFFFAOYSA-N 390.549 3.721 0 40 GHAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(OC)c2)sc2c1CCCC2 1927242 OENSHJLKJCYZFO-GFCCVEGCSA-N 389.473 3.828 0 40 GHAB COc1ccc(-c2nsc(SCC(=O)N3CCc4ccccc43)n2)cc1 3007358 NRNJOBSENVPGOQ-UHFFFAOYSA-N 383.498 3.895 0 40 GHAB O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCCc2ccccc21 3236037 WEJADDISRQBHLG-UHFFFAOYSA-N 398.528 3.844 0 40 GHAB COc1ccc(C(NC(=O)c2ccccc2F)NC(=O)c2ccccc2F)cc1 3278297 SVBUYRRKZIEACE-UHFFFAOYSA-N 396.393 3.832 0 40 GHAB aggregator COc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1 4888480 JPPUDILQLACATM-UHFFFAOYSA-N 387.867 3.775 0 40 GHAB COC(=O)c1c(NC(=O)C2CC2)sc(C(=O)Nc2ccc(F)cc2)c1C 872069 FHBPVIUNGRNFNK-UHFFFAOYSA-N 376.409 3.583 0 40 GHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 10674661 GKHOIJUVYPOGHI-LBPRGKRZSA-N 384.295 3.887 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c(C)c1 8041674 XUIQZVZTGMMCHT-MSOLQXFVSA-N 396.487 3.618 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)c1 8355324 LOEOUTBTFWSKLM-LBPRGKRZSA-N 383.366 3.979 0 40 GHAB O=C1c2ccccc2C(=O)N1CN1CCC(c2nc3ccccc3s2)CC1 23743215 UGBWVUQWYMCWJH-UHFFFAOYSA-N 377.469 3.729 0 40 GHAB Cc1ccc(-c2csc3ncc(C(=O)NCCc4ccccc4)c(=O)n23)cc1 20768008 FPGJHSJWWQKOOT-UHFFFAOYSA-N 389.480 3.704 0 40 GHAB COc1cc([C@](O)(c2nc3ccccc3s2)C(F)(F)F)c(OC)cc1N 24927153 BMLFOCKQKXBHOO-INIZCTEOSA-N 384.379 3.694 0 40 GHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 12526950 COZJBMZYUVLOEK-INIZCTEOSA-N 387.911 3.806 0 40 GHAB O=C(/N=c1\sccn1Cc1ccccc1Cl)c1ccc(-n2ccnc2)nc1 26314629 JBCAGEVSKRJGQJ-NMWGTECJSA-N 395.875 3.573 0 40 GHAB O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1COc2ccccc2O1 44442478 FERIOXDPHVAELH-QFIPXVFZSA-N 375.424 3.722 0 40 GHAB Cc1cccc(C)c1-n1nnnc1C1(Nc2ccc3c(c2)OCCO3)CCCC1 35622514 PMYPPCMEKUHNLN-UHFFFAOYSA-N 391.475 3.932 0 40 GHAB O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@H]1CCSc2c(F)cccc21 12648242 QTHYVBOKYHAQAA-KRWDZBQOSA-N 398.459 3.555 0 40 GHAB CCCOc1ccc(/C=C/C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1OC 1904305 QNYQSQNCTRQFFJ-HEWZJLJBSA-N 389.477 3.839 0 40 GHAB Cc1cccc(N2CCN(CC(=O)Nc3ccccc3Br)CC2)c1 27381920 QUNSMSCUMGQIQD-UHFFFAOYSA-N 388.309 3.518 0 40 GHAB O=C(Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1)c1cccs1 102592509 XOKDEVYCBJLIER-GZXFCSGKSA-N 391.448 3.525 0 40 GHAB CCCn1c(SCc2nccn2C)nc2ccc(Br)cc2c1=O 58196958 ALEGIGPPDPMFQP-UHFFFAOYSA-N 393.310 3.595 0 40 GHAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(Cl)c2)cc1C 3341241 HQSQBZUMCPTQCO-UHFFFAOYSA-N 380.897 3.572 0 40 GHAB O=C(CNc1ccc(I)cc1)NCCC1=CCCCC1 3341266 DTXARQAVXGPAIK-UHFFFAOYSA-N 384.261 3.710 0 40 GHAB CCCCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 2179172 CKJGYTDYIRXQGC-UHFFFAOYSA-N 388.533 3.922 0 40 GHAB O=c1c2ccsc2ncn1C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 12736208 WHSQAWUTVGNAJX-OAHLLOKOSA-N 394.452 3.690 0 40 GHAB CSCc1ccc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1 36389952 AEQKBCSBMRTWMM-QFIPXVFZSA-N 397.588 3.658 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2cc3cc(Cl)ccc3[nH]2)N2CCOCC2)o1 12977907 SKWXYLPEFBVCPQ-GOSISDBHSA-N 387.867 3.526 0 40 GHAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCC(=O)OC(C)(C)C)c2C)cc1 12920127 FCLJYORTRKYHCY-VAWYXSNFSA-N 384.476 3.755 0 40 GHAB C[C@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NCc1ccco1 8943213 DIBJLWYLBRSXRT-ZDUSSCGKSA-N 395.484 3.517 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(C(F)(F)F)nnc2s1 8991838 UBXAABSCZAFWNK-UHFFFAOYSA-N 392.410 3.792 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 5042898 AHDLEHNSDIJWDR-JXFKEZNVSA-N 379.456 3.769 0 40 GHAB O=c1c2ccccc2nc(SCc2ccc3c(c2)OCO3)n1C[C@H]1CCCO1 5129743 SZDCFVIUOZRMLJ-OAHLLOKOSA-N 396.468 3.597 0 40 GHAB O=C(c1cc(O)c(OCc2ccccc2)cn1)N1CCO[C@@H](c2ccccc2)C1 71284355 UNTIXVPKRLREBQ-JOCHJYFZSA-N 390.439 3.580 0 40 GHAB CN1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1 4412848 UMELVFCUPDCPEY-UHFFFAOYSA-N 375.925 3.823 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1-n1cccc1 23054708 ZDLXLVSCTNJNFJ-UHFFFAOYSA-N 387.439 3.687 0 40 GHAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccccc1OCc1ccc(F)cc1 14161274 YQOCVGPICPTIIB-UHFFFAOYSA-N 389.390 3.633 0 40 GHAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)N[C@H]2CCc3ccccc32)cc1 14200449 ZCWCNEFGYHCCET-SFHVURJKSA-N 394.500 3.810 0 40 GHAB CN(C)c1ccc(-c2nn3c(-c4cc(-c5ccccc5)n[nH]4)nnc3s2)cc1 5460426 GWRICTFPCLSUJF-UHFFFAOYSA-N 387.472 3.976 0 40 GHAB Cc1ccc(C(=O)c2cnc3sc(C(=O)NCc4ccco4)c(C)n23)cc1 6664023 DDOVXUQMGWRZGK-UHFFFAOYSA-N 379.441 3.767 0 40 GHAB COc1ccc(-c2noc(-c3cc4cccc(OC)c4oc3=O)n2)cc1OC 6868022 MWEQLOVYRAGQKA-UHFFFAOYSA-N 380.356 3.536 0 40 GHAB Cc1c(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)oc2ccccc12 5894053 LMMDVOADCRRTDH-UHFFFAOYSA-N 395.484 3.705 0 40 GHAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1-c1ccccc1 15191552 QJHGCMAOPGANNM-UHFFFAOYSA-N 391.471 3.937 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1F 7073652 HQBYFFLCSIEIJG-CSKARUKUSA-N 382.435 3.725 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)c1ccc(Br)cc1 7059973 XTSAUVWBCWLNNE-KRXBUXKQSA-N 389.201 3.617 0 40 GHAB CCc1nnc(NC(=O)COc2c(C)cc(Br)cc2Cl)s1 7347423 LZZCJYKLADZDSO-UHFFFAOYSA-N 390.690 3.842 0 40 GHAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1 16780280 AHBMUNQFAAYZOU-UHFFFAOYSA-N 392.908 3.693 0 40 GHAB O=C(c1cc(-c2ccccc2)n(-c2nc3ccccc3s2)n1)N1CCOCC1 25186161 ZXHCDYLKBJYIHD-UHFFFAOYSA-N 390.468 3.621 0 40 GHAB Cc1sc2ncnc(N3CCC(C(=O)NCc4ccccc4F)CC3)c2c1C 8316466 FHOLAHGYBMDBLA-UHFFFAOYSA-N 398.507 3.980 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1N1CCCC1=O)N1CC[C@H](c2ccccc2)C1 69878262 RQCCLMWBRSGSHR-HKUYNNGSSA-N 377.488 3.630 0 40 GHAB Cc1ccc(N(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C(=O)c2ccco2)cc1Cl 96610751 ROJDJARCQWSJAS-HZPDHXFCSA-N 398.846 3.797 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 24343365 BEQSADQARQKFND-AWEZNQCLSA-N 379.460 3.997 0 40 GHAB Cc1cc(-n2cncn2)ccc1-c1nc(-c2ccc(NC(C)(C)C)cn2)no1 547232893 JSDUZVAAOXHQQM-UHFFFAOYSA-N 375.436 3.898 0 40 GHAB c1cn2c(-c3ccsc3)cnc2c(N2CCN(Cc3ccsc3)CC2)n1 306131232 JZAQJMMHAHXOKD-UHFFFAOYSA-N 381.530 3.842 0 40 GHAB C[C@@H](NC(=O)NCc1ccccc1CO)c1ccc(Oc2cccnc2)cc1 554534739 QBZIUVJQDCECGT-MRXNPFEDSA-N 377.444 3.927 0 40 GHAB c1cc(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc(-n2cccn2)c1 518808964 CDBIZNXFVJNPJM-RBUKOAKNSA-N 379.464 3.834 0 40 GHAB CCOC[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(CC)cc1 218649048 CFQISRVUFFPHTG-SLFFLAALSA-N 393.936 3.576 0 40 GHAB Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3cc(Cl)c4c(c3)OCO4)C[C@@H]21 72389829 RWQSLEIHKWWOHZ-QYWGDWMGSA-N 386.879 3.502 0 40 GHAB CN1CCN(c2ccc([C@H]3CCCCN3C(=O)OCc3ccccc3)cn2)CC1 72216553 SIMJYTHVZIAWTF-OAQYLSRUSA-N 394.519 3.697 0 40 GHAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1 38854426 NSTCLCYDSNWFIX-UHFFFAOYSA-N 376.460 3.630 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc(OC(C)C)c(OC)c1 219556740 NYBQFFQVVRZHLG-KRWDZBQOSA-N 387.476 3.965 0 40 GHAB CN1CCN(C(=O)C2CCC2)[C@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 72351629 ZMJDBCLPRDUFDH-OAQYLSRUSA-N 380.463 3.505 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)NCc2ccco2)CC1 40128176 WNXODVTZZVOHPE-UHFFFAOYSA-N 395.381 3.859 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cccc2ccccc12 222620776 NESAYPVAHSBDAV-MRXNPFEDSA-N 394.446 3.521 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 222518551 WUSKNWKYHBKPBL-AWEZNQCLSA-N 394.924 3.844 0 40 GHAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)c1 49122921 ZNEKOBLHTHTCCD-CQSZACIVSA-N 390.487 3.705 0 40 GHAB COc1cc(C)c(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C 224175253 JYPVBSUSFCBVLP-MRXNPFEDSA-N 375.490 3.893 0 40 GHAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 223492573 IKWZCVXPNKCDJC-NRFANRHFSA-N 398.572 3.906 0 40 GHAB CC[C@@H](C(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1)c1ccccc1 44001950 GVMPWNADAINFBB-RQWLHQTBSA-N 380.488 3.841 0 40 GHAB Cc1cc(NC(=O)C(=O)NCc2cccc(Cl)c2)ccc1Br 42646174 GVYUUEHFNUQAKU-UHFFFAOYSA-N 381.657 3.666 0 40 GHAB Cn1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)ccc21 225064911 FJPZEUNGJPKSEI-OAHLLOKOSA-N 399.491 3.590 0 40 GHAB CCc1ccc(NC(=O)N2CC[C@@]3(C[C@H]3C(=O)N(C)Cc3ccccn3)C2)cc1 96227439 UVHGRKMMEUVADR-NZQKXSOJSA-N 392.503 3.547 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1 257235872 GZXFRRPTUHVIMB-QAPCUYQASA-N 382.529 3.708 0 40 GHAB COc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 257340297 ZFKFRZUOEWGLBT-STXHMFSFSA-N 387.911 3.980 0 40 GHAB C[C@@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)N[C@H](C)c1ccccc1 585655861 OTAXUHCVMDWHSI-ZIAGYGMSSA-N 391.500 3.875 0 40 GHAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)Cc3ccc(C)c(C)c3)n(C)n2)CC1 257337017 YQZPLISGUAAGJI-XUTJKUGGSA-N 396.579 3.731 0 40 GHAB Cc1cc(C(=O)N2CCC[C@](C)(c3ncc(Cc4cccc(F)c4)o3)C2)no1 257252703 JVUDETLZLVXQRB-NRFANRHFSA-N 383.423 3.895 0 40 GHAB CCCc1cc(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4Cl)CC[C@H]3C2)n(C)n1 257308678 TXROYZKCHGLHEH-GMBSWORKSA-N 387.911 3.956 0 40 GHAB CCc1nc(NC(=O)NCc2cc(Br)cnc2OC)sc1C 626412363 YKSJZYBFHHOORB-UHFFFAOYSA-N 385.287 3.502 0 40 GHAB O=C(Cc1cnn2ccccc12)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 648331447 UGIGETRRJCHKAL-LBPRGKRZSA-N 394.422 3.758 0 40 GHAB CC(C)[C@H]1OCCC[C@H]1CNC(=O)NCCCc1c[nH]c2ccc(F)cc12 1229107622 LGKCUUNOIWEJKK-OXJNMPFZSA-N 375.488 3.990 0 40 GHAB COCCN1CCC[C@@]12CCCN(C(=O)c1cc3cccc(OC)c3o1)CC2 585100211 HRBNSSOKTYVHJH-JOCHJYFZSA-N 386.492 3.549 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 5212184 PMTKKDWISWWFEN-QFBILLFUSA-N 394.471 3.791 0 40 GHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCCCC3)c2)cc1 5703389 IRVWPLZWAMTIBR-UHFFFAOYSA-N 386.517 3.836 0 40 GHAB O=C(OCc1ccc(COC(=O)c2cccc(O)c2)cc1)c1cccc(O)c1 5938721 GYZMNUISKZPTAV-UHFFFAOYSA-N 378.380 3.812 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1 5980793 LKUMTNYBNWECQI-UHFFFAOYSA-N 395.333 3.678 0 40 GHAB COc1cc(CCC(=O)N2CCC[C@H](c3nn(C)c4ncccc34)C2)ccc1C 12253757 ZSQDIRARZFFFAU-SFHVURJKSA-N 392.503 3.624 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cccnc3)cc2n1 12276524 YDGFAMWGCXUQSP-OAHLLOKOSA-N 389.381 3.683 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 12735558 YJYMBBAKQFTICH-CYBMUJFWSA-N 393.867 3.758 0 40 GHAB Cc1c(-c2ccccc2)sc(NC(=O)[C@H]2C[C@H]2C)c1C(=O)N1CCOCC1 14389877 OBIMNTYSYHZCBX-CJNGLKHVSA-N 384.501 3.790 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)c3ccc(CN4CCCCCC4)o3)ccc21 19019235 QNRGTFYSWOMRDZ-UHFFFAOYSA-N 381.476 3.817 0 40 GHAB O=C(NCc1ccccc1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19372681 XWAXZSUZBGVVEE-UHFFFAOYSA-N 394.500 3.588 0 40 GHAB CCc1[nH]c(=O)c(C(=O)N[C@@H](c2ccccc2)c2ccccc2OC)cc1C 19521463 KEDYOVUPURKWIZ-NRFANRHFSA-N 376.456 3.774 0 40 GHAB CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)CCC3CCCCC3)C[C@@H]12 19576379 UAIWJKVZNOWLDO-XXBNENTESA-N 382.504 3.533 0 40 GHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CC2)C1 19591004 OJOFKMVRKBOHSA-JOCHJYFZSA-N 382.529 3.722 0 40 GHAB COCC(=O)N1CCc2sccc2[C@H]1c1ccc(NC(=O)C2CCCC2)cc1 19592921 WSIAXHDAIIGRCM-OAQYLSRUSA-N 398.528 3.997 0 40 GHAB CC(C)c1ccc(CN2CCC([C@]3(c4nccs4)CNC(=O)CO3)CC2)cc1 19696661 FLILDELLNXZZAN-QFIPXVFZSA-N 399.560 3.520 0 40 GHAB COc1cc2c(cc1-c1cncn1Cc1ccccc1CN(C)C)OCCCO2 19720013 MTTZROIKJBCCEU-UHFFFAOYSA-N 393.487 3.830 0 40 GHAB COCC(=O)N1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 12220326 XCVKJHMQYDQWFY-AEGPPILISA-N 388.434 3.527 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(Cc2ccccc2)Cc2ccccc2)C1 143870981 NEAJPGSFDYOXKS-NHCUHLMSSA-N 382.504 3.669 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C[C@@H]2C=CCC2)c1 14633611 MZTDFNGNMUODPV-MRXNPFEDSA-N 394.537 3.799 0 40 GHAB COc1ccc(-c2coc3cc(OC(=O)CCCCCO)ccc3c2=O)cc1 2060990642 NZUCXOOWVIVLTJ-UHFFFAOYSA-N 382.412 3.927 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1cccs1 5108303 FCYOGLSWRBHIOX-UHFFFAOYSA-N 382.507 3.840 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 5188514 XPFZAXLWHBXWAS-HNNXBMFYSA-N 387.867 3.892 0 40 GHAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)c2cccs2)c(C)c1 585146842 ZAYCRVOTMPXPHE-HNNXBMFYSA-N 377.487 3.769 0 40 GHAB O=C(c1cc(Br)ccc1Cl)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618254699 DMENLMUYALQDLO-RYUDHWBXSA-N 395.688 3.702 0 40 GHAB Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3C[C@H](C)O[C@@H](C)C3)c(O)n2n1 104200193 OFBJGKJMVMTULR-PGUXBMHVSA-N 392.912 3.657 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccnc2N2CCCCC2)CC1 40132758 FZLGQBHKNJAKTB-UHFFFAOYSA-N 398.938 3.996 0 40 GHAB CCCc1nnc2sc(-c3ccc(CNC(=O)c4ccc(F)cc4)cc3)nn12 20096447 VYKXWTCWTNDTIL-UHFFFAOYSA-N 395.463 3.874 0 40 GHAB CN(C)C(=O)COc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)cc1 40104844 ZZBYHMJEQPYCTL-ZWKOTPCHSA-N 375.513 3.880 0 40 GHAB CC(C)(C)c1ccc(CCC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 30661931 ILWIQEHJQKCDOZ-UHFFFAOYSA-N 394.515 3.607 0 40 GHAB COc1ccc(C2=C[C@H](c3cccc(Br)c3)n3nnnc3N2)cc1 101106553 LETVDAWROJXYBG-MRXNPFEDSA-N 384.237 3.500 0 40 GHAB O=C(Cn1ncc(=O)c2ccccc21)Nc1cccc(C2SCCCS2)c1 52166393 IKKCZVMSJSCQDL-UHFFFAOYSA-N 397.525 3.904 0 40 GHAB O=C(CCCc1nnc(-c2ccccc2)o1)N1CCO[C@@H](c2ccc(F)cc2)C1 32637325 VDHMDCTZYKDNGN-LJQANCHMSA-N 395.434 3.799 0 40 GHAB Cc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 857001 MWMWIINQGJGPRJ-UHFFFAOYSA-N 394.496 3.825 0 40 GHAB Cc1cccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)COC(C)(C)C4)c1 1261467 SJXONFCOFLBETN-UHFFFAOYSA-N 380.473 3.563 0 40 GHAB Nn1c(SCc2cccc(Br)c2)nnc1-c1ccc(F)cc1 1291428 YWKRYANLIDTCJQ-UHFFFAOYSA-N 379.258 3.853 0 40 GHAB Cc1ccc(Cn2ncc3c(N4CCN(c5ccc(C)cc5)CC4)ncnc32)cc1 1473026 OJTUEASMVVJXHR-UHFFFAOYSA-N 398.514 3.818 0 40 GHAB COc1ccc2c(c1)N=C(NNC1=Nc3cc(OC)ccc3SC1)CS2 1610122 BPQWEYMWJGYEFD-UHFFFAOYSA-N 386.502 3.770 0 40 GHAB CC(=O)c1cccc(-n2c(N)c(C(=O)OC(C)C)c3nc4ccccc4nc32)c1 2214861 LHFYXXGHDDNVRG-UHFFFAOYSA-N 388.427 3.924 0 40 GHAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)s2)c2ccccc21 2493054 AXWBURWKMREVMU-QGZVFWFLSA-N 394.290 3.728 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)n1 3310125 AQZJNFXRZVGCGM-UHFFFAOYSA-N 378.451 3.591 0 40 GHAB Cc1ccc(-c2nc3scc(CCNC(=O)Cc4ccc(F)cc4)n3n2)cc1 4479883 VBGNRWGYGQETMB-UHFFFAOYSA-N 394.475 3.807 0 40 GHAB COc1ccc(OCC(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1 4501732 CLGUVVSXBDSYKK-UHFFFAOYSA-N 396.399 3.567 0 40 GHAB COc1ccc(Cc2nnc3n2N=C(c2ccc(C)cc2)CS3)cc1OC 4586130 OWQLQJMNGROIQA-UHFFFAOYSA-N 380.473 3.553 0 40 GHAB C[C@@H](CC(=O)Nc1ccccc1)CC(=O)N1CCN(c2ccc(F)cc2)CC1 4676247 HKEZJACBMSQVRB-KRWDZBQOSA-N 383.467 3.529 0 40 GHAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C)CC2)c(OC)c1 4863267 AONSROFAKKTLBC-HXUWFJFHSA-N 393.487 3.669 0 40 GHAB O=C(NC1CCN(C(=S)Nc2ccc(F)cc2)CC1)c1ccc(F)cc1 4888665 XTRAAAYCSNJQFM-UHFFFAOYSA-N 375.444 3.556 0 40 GHAB Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccnc2)n1 5243469 JKHITQHSBFASAG-IBGZPJMESA-N 387.370 3.780 0 40 GHAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1C[C@H]1CCCO1 6100160 JXIASHPBJXEHFX-MRXNPFEDSA-N 398.488 3.704 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 6269802 PKWRLUDBIWEUGU-UHFFFAOYSA-N 396.468 3.677 0 40 GHAB CCOc1cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)ccc1OC(=O)CC 6348971 XEOAHUOITAYPOV-ATVHPVEESA-N 395.411 3.754 0 40 GHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)[C@H](C)c1ccccc1 6477609 CVSYPPUBRZTDSH-QGZVFWFLSA-N 386.517 3.912 0 40 GHAB CCOc1cccc(C(=O)Nc2ncc(I)cc2C)c1 6518210 VPWCJYVVORAFDM-UHFFFAOYSA-N 382.201 3.646 0 40 GHAB O=c1/c(=C/c2ccc(-c3ccc(F)cc3)o2)sc2nc(-c3ccccc3)nn12 6535710 KTIHRVRYPWYLAN-PDGQHHTCSA-N 389.411 3.765 0 40 GHAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccco2)c1 6642254 DZBUYJGHEJWNPI-AGHHOFFYSA-N 385.460 3.805 0 40 GHAB biogenic CCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1cccc(C)c1)S2 6811780 AUXPRCTVVNDCKY-QZTJIDSGSA-N 379.489 3.547 0 40 GHAB CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 6818998 QICZMFUKRKHWCB-INIZCTEOSA-N 392.546 3.911 0 40 GHAB CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2c1 6964594 MALJYWAWKBQCIS-WPNIOXTASA-N 394.471 3.839 0 40 GHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1 7417838 SNDHVAWOPMRUGT-UHFFFAOYSA-N 377.462 3.761 0 40 GHAB O=C(Nc1ccc(SC(F)F)cc1)c1ccc(=O)n(Cc2ccccc2)n1 7988683 VRHAZNNIIGENKZ-UHFFFAOYSA-N 387.411 3.859 0 40 GHAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(OC)c1 8132532 UPEANRGWCWYSNX-UHFFFAOYSA-N 384.295 3.669 0 40 GHAB C[C@@H]1C[C@H](Sc2nnc(COc3ccccc3F)n2-c2ccccc2)C(=O)O1 8194459 ASNHJVVZYMJKFC-DYVFJYSZSA-N 399.447 3.782 0 40 GHAB CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OC)c1 8867734 MCPYFAMHVCLKFO-HXUWFJFHSA-N 393.439 3.773 0 40 GHAB CC(C)(C)c1ccc(CN(C(=O)c2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 8869343 QVZSVLVYXRRBJU-KRWDZBQOSA-N 391.558 3.875 0 40 GHAB Cc1c(C(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)oc2ccccc12 8880456 SAZPREWVYPVAKJ-NRFANRHFSA-N 394.452 3.769 0 40 GHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 9156061 VFYAINHULRBWTG-IBGZPJMESA-N 380.444 3.784 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)N(C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 9850401 AFXASYRGUJOLLQ-MJGOQNOKSA-N 385.504 3.650 0 40 GHAB Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)n2nnnc2N3)cc1 10336891 AXTPCWITFPURBV-NHCUHLMSSA-N 398.401 3.767 0 40 GHAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)C(C)C 12389646 GILLBNZFJGCOAE-UHFFFAOYSA-N 392.521 3.951 0 40 GHAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 12799719 CLOQZXUOWOEUAD-OAQYLSRUSA-N 399.878 3.869 0 40 GHAB CC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 12940642 TXJMRHPJUMWZTP-HNNXBMFYSA-N 382.526 3.633 0 40 GHAB COc1cc(NC(=O)c2sc(-c3ccccn3)nc2C)cc(OC)c1OC 12982770 BKXIBGGYHVJJCN-UHFFFAOYSA-N 385.445 3.792 0 40 GHAB Cc1ccc(-c2noc([C@@H](C)NS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 13495196 OFQOPCAKAXSHMA-GFCCVEGCSA-N 377.853 3.738 0 40 GHAB COc1cc(OC)cc(-n2c(S)nnc2COc2cccc3cccnc23)c1 13535074 JKUIDQXMUNNDRD-UHFFFAOYSA-N 394.456 3.700 0 40 GHAB Cc1nnc2ccc(-c3cccc(NC(=O)Cc4ccccc4Cl)c3)nn12 13538163 ZLQRSTFYRXDCOC-UHFFFAOYSA-N 377.835 3.934 0 40 GHAB COc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2ccc3ccccc3c2)CC1 13689153 XAEANLUDMOFSLF-GOSISDBHSA-N 390.483 3.965 0 40 GHAB Cc1nc2ccccn2c(=O)c1NC(=O)Nc1ccc(OC(F)(F)F)cc1 13707559 OLJSNJBETRLEME-UHFFFAOYSA-N 378.310 3.546 0 40 GHAB COc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCC2)cc1OC 13804406 BOLKESCTJCMBBQ-UHFFFAOYSA-N 381.519 3.556 0 40 GHAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)NC4CCCCCC4)CC3=O)c2c1 13944645 JBOXXWITKDERQQ-GOSISDBHSA-N 381.520 3.706 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 14094660 UGQUJVFZFILSEC-UHFFFAOYSA-N 393.487 3.543 0 40 GHAB C[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc2c(c1)OCCO2 14118774 TZBGCRZKYWVTQS-HNAYVOBHSA-N 383.444 3.507 0 40 GHAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C 15922110 UVHRTLNGXAOPEA-OAQYLSRUSA-N 398.551 3.860 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 20627761 QPESDZAFOWCEBN-LBPRGKRZSA-N 381.234 3.802 0 40 GHAB COCc1c(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)oc2ccccc12 21362286 YVZDKKCFSVOGPM-UHFFFAOYSA-N 393.848 3.888 0 40 GHAB O=C(Nc1ccccc1O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 23055318 MPVOVIYCDQJYLF-UHFFFAOYSA-N 386.404 3.584 0 40 GHAB CCCCOc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1OC 23408665 FQVHKBLJCJRCPD-MRXNPFEDSA-N 376.522 3.968 0 40 GHAB O=C1C(=O)N(CN2CCC[C@H]2c2cccs2)c2ccc(Br)cc21 23805414 QBAFGGAWUOUUJD-AWEZNQCLSA-N 391.290 3.835 0 40 GHAB CCc1cc(C(=O)N2CCN(c3ccc([C@@H](C)O)cc3F)CC2)sc1C 24828465 XTVPSBWVSQMNEK-CYBMUJFWSA-N 376.497 3.774 0 40 GHAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1nc(-c2ccc(F)cc2)cs1 24928208 MIRGPTBKGMJANX-MRXNPFEDSA-N 383.404 3.678 0 40 GHAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 24969790 WWHSEFPCDVHFCY-UHFFFAOYSA-N 395.484 3.649 0 40 GHAB COc1ccc2c(C)c(CCC(=O)NC[C@@H](C)c3ccccc3)c(=O)oc2c1 26754106 ZFFGUEFEEHATJK-OAHLLOKOSA-N 379.456 3.963 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)c3cc(C)n(CC(F)(F)F)c3C)ccc21 27109111 DYPDBRBLYFQZPQ-UHFFFAOYSA-N 379.382 3.829 0 40 GHAB Cc1cc(NC(=O)c2cccc(Cn3nc(C)c(Br)c3C)c2)no1 27970733 MANCOKVDRGMAIV-UHFFFAOYSA-N 389.253 3.859 0 40 GHAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Oc1ccc(Cl)cc1 29738482 MMMACFIRZCCYBF-OAQYLSRUSA-N 398.846 3.635 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)CNc2cccc(OC3CCCC3)c2)cc1 29943775 GIACVXYWIUCKFM-UHFFFAOYSA-N 381.476 3.760 0 40 GHAB CC(C)CCSc1nnc(Cn2cnc3sc4c(c3c2=O)CCC4)o1 32074178 WJRSHPBTNSWSPB-UHFFFAOYSA-N 376.507 3.516 0 40 GHAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc(Cl)cc(Cl)c1 32247950 RCEJHOIABURRML-SFHVURJKSA-N 379.287 3.624 0 40 GHAB O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1ccc(-n2cncn2)cc1 32932485 SFYBWUUDHFDTPZ-UHFFFAOYSA-N 384.443 3.789 0 40 GHAB COC(=O)[C@H](CC(C)C)N[C@@H]1C(C)=C(C)C(=O)N1CCc1ccc(Cl)cc1 36153525 ZMYHLEYCEOMCQH-OALUTQOASA-N 392.927 3.565 0 40 GHAB C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(-c2ccccc2)cc1 36729489 RWOHGLUVHBKSDP-NDXORKPFSA-N 390.483 3.706 0 40 GHAB O=C(CN1CCCc2cc(F)cc(F)c21)NCCc1ccc(OC(F)F)cc1 36754198 LHMGZXQRAGJJRH-UHFFFAOYSA-N 396.384 3.678 0 40 GHAB CC[C@@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccccc1 38757079 NFKSFVJQQVUBQB-QGZVFWFLSA-N 398.887 3.513 0 40 GHAB Cc1cccc(Nc2nc(-c3cnc(N4CCC(C)CC4)nc3C)cc(=O)[nH]2)c1 39383676 GIUJNZQLUJRHNU-UHFFFAOYSA-N 390.491 3.824 0 40 GHAB CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 39563688 DJHOOSVXTKVZIP-AUNFYEFLSA-N 381.428 3.510 0 40 GHAB O=C(NC1CCCC1)c1cccc(NC(=O)c2ccc(Br)o2)c1 40140219 PEYLGHGTTSWPNM-UHFFFAOYSA-N 377.238 3.967 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)N(C)C[C@@H]2COc3ccccc3O2)n1 44208553 LGIBSAYTZLWURI-QGZVFWFLSA-N 392.459 3.793 0 40 GHAB CN(c1ccsc1C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1 48986834 MKRCVNHTWZKXMH-UHFFFAOYSA-N 390.461 3.965 0 40 GHAB Cc1nnc(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)o1 53966490 SYKPVRVMNOAIHV-UHFFFAOYSA-N 378.407 3.914 0 40 GHAB CCN(CC)C(=O)[C@H](NC(=O)N(Cc1cccc(O)c1)C1CC1)c1ccccc1 57112978 JZWIHZSAIJJRSP-OAQYLSRUSA-N 395.503 3.676 0 40 GHAB CCCn1c(SCC(=O)Nc2cccc(F)c2)nc2ccsc2c1=O 57425273 QDAAQDQKESBLIX-UHFFFAOYSA-N 377.466 3.738 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@H]2c2ccccc2C)c1 58066039 MKXNRLLHFACLAN-NRFANRHFSA-N 379.460 3.889 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-n2cnc3ccccc3c2=O)cc1 58152271 RMYWQTANDWLSAE-OAQYLSRUSA-N 397.434 3.639 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)NCC2CCCCC2)ccc1OC(F)F 58164423 VRYGYALOHGSNKK-CSKARUKUSA-N 397.418 3.550 0 40 GHAB COc1ccc(NC(=O)N(C)Cc2cnc(C)s2)cc1N1CCCCC1=O 58289574 JASXFPCAGNYXPX-UHFFFAOYSA-N 388.493 3.641 0 40 GHAB O=C(NCc1ccc(CN2CCCCCC2)cc1)c1cc2ccccc2c(=O)[nH]1 62581249 WGKNIIOTZSIZFU-UHFFFAOYSA-N 389.499 3.834 0 40 GHAB COC(=O)[C@]1(Cc2ccc(F)cc2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 72340201 SYYQGPPOANIFCN-QTEQDKRBSA-N 381.447 3.534 0 40 GHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)OCO3)C1 77200103 FSCGEIDJMRWQSY-DLBZAZTESA-N 382.416 3.705 0 40 GHAB CC(C)[C@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)C(N)=O 78655554 RDXKIKAVEPPRKN-NSHDSACASA-N 378.803 3.813 0 40 GHAB COc1cccc(-c2c[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3)n2)c1 79105654 SESGGYRTTWPMED-IBGZPJMESA-N 383.473 3.611 0 40 GHAB O=S(=O)(NCc1ccccc1OC1CCCC1)c1ccc(F)c(F)c1F 84505917 TUKYZBQYMGRDEL-UHFFFAOYSA-N 385.407 3.904 0 40 GHAB CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)CCc1ccc(OC)c(OC)c1 89942255 GHTDJMUGOWUTME-HNNXBMFYSA-N 379.497 3.605 0 40 GHAB Cc1nc(-c2ccccc2)n(CC(=O)Nc2ccc3c(c2)CCC3)c(=O)c1Cl 90610157 FCWRAQZSONPTPK-UHFFFAOYSA-N 393.874 4.000 0 40 GHAB CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1cccnc1)CC2 96145039 VYGFKIYZIRRXEJ-UHFFFAOYSA-N 391.494 3.521 0 40 GHAB COc1ccc([C@H]2Cn3cnc(-c4nc(-c5cccs5)no4)c3CO2)cc1 97078124 WKWBQRPKMOHULR-OAHLLOKOSA-N 380.429 3.942 0 40 GHAB COc1cccc(CNC(=O)Nc2c(N3CCCC3)c3ccccc3oc2=O)c1 101094910 CBMALBWYEXPYLQ-UHFFFAOYSA-N 393.443 3.724 0 40 GHAB FC(F)Sc1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1 101779363 ZLPGMNPGZWWCLN-UHFFFAOYSA-N 380.489 3.915 0 40 GHAB CCC(CC)c1nnc(NC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)s1 102486202 XCLAXQSSYYLXFB-RCRDTURJSA-N 390.553 3.855 0 40 GHAB Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2C(=O)O)c1 217718033 YSBVJRLCTRFSEY-UHFFFAOYSA-N 378.222 3.782 0 40 GHAB CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220521804 WTAZLPIIRCQDJG-YLJYHZDGSA-N 388.533 3.725 0 40 GHAB COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223494037 LSDYLJAJBRIHAN-MRXNPFEDSA-N 375.490 3.746 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 223667440 GPFIHGHJBLHEIA-LJQANCHMSA-N 382.504 3.544 0 40 GHAB Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 223917712 MMUXYHKLKPHDQA-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224243739 PYNYFZBKLDNESR-UHFFFAOYSA-N 387.288 3.568 0 40 GHAB Cc1ccc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1C 224256795 HMRBNGLXXXEZFU-UHFFFAOYSA-N 387.487 3.672 0 40 GHAB CO[C@]1(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)CCC[C@@H](C)C1 225634414 NUHHPCPZTRPWRZ-VGOFRKELSA-N 388.508 3.612 0 40 GHAB C[C@@H](NC(=O)Cn1ccc(=O)c2cc(Br)ccc21)c1ccccc1 225726674 YSTHZIDOMHHHHZ-CYBMUJFWSA-N 385.261 3.641 0 40 GHAB CC(C)OCCCNC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225805405 WYBXZEFKNDPYRI-UHFFFAOYSA-N 385.386 3.619 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCCC2)n1 225888254 HNWXZKXDYCNEHD-UHFFFAOYSA-N 376.574 3.542 0 40 GHAB C[C@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3N)o2)C[C@@H](C)O1 226301434 MKEOXHGZULUDFV-PHIMTYICSA-N 379.254 3.541 0 40 GHAB O=C(NCCn1nc(-c2cnccn2)cc1C1CC1)c1cc2ccccc2s1 238848389 IWGSXTPKXFUSLY-UHFFFAOYSA-N 389.484 3.862 0 40 GHAB CC(=O)N1CCO[C@H](c2cc(Cc3cccc(C(F)(F)F)c3)cc(C)n2)C1 257280093 OJKDAGHTYVCVCD-IBGZPJMESA-N 378.394 3.919 0 40 GHAB O=C1NCCN(C(=O)CCC2CCCC2)[C@@H]1Cc1ccc(-c2cccnc2)cc1 257343954 ZVCBOJRVKPEPQR-JOCHJYFZSA-N 391.515 3.589 0 40 GHAB Cc1ccsc1CN1C[C@@H]2[C@@H](C1)c1cc(-c3cccnc3)ccc1S2(=O)=O 306139441 SXHZDFVNZIITFT-GHTZIAJQSA-N 396.537 3.874 0 40 GHAB Cc1ccccc1CCC(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390832391 ZFDUFEIYRDELNR-UHFFFAOYSA-N 385.529 3.534 0 40 GHAB CCCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 409148937 USTZAWIMWCIPKY-UHFFFAOYSA-N 388.533 3.840 0 40 GHAB CC1CCN([C@H](CNC(=O)Cn2cnc3ccccc32)c2ccccc2)CC1 512074821 VDKWQTOOLXNQBW-JOCHJYFZSA-N 376.504 3.626 0 40 GHAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C 573823960 QNBCYKNVFOPWHD-SJORKVTESA-N 392.931 3.873 0 40 GHAB Cc1nn(C)c(C)c1/C=C/C(=O)N1C[C@H]2C[C@H](OCc3ccccc3)C[C@H]2C1 585289280 HFLZZTCHNGTADP-HIRSCKEWSA-N 379.504 3.504 0 40 GHAB CC(C)c1noc(CN2CCC(COc3cccc(C(F)(F)F)n3)CC2)n1 585532356 QMIHJQSSYYLFLP-UHFFFAOYSA-N 384.402 3.898 0 40 GHAB CSCCc1ccccc1NC(=O)N1CCn2c(nnc2-c2ccccc2)C1 603092771 PLMFUTBIWIEIMS-UHFFFAOYSA-N 393.516 3.898 0 40 GHAB N[C@H](C(=O)N1CCC(c2ccc3cccnc3n2)CC1)c1cccc(Cl)c1 655492941 IJJSKLQANNTSAF-IBGZPJMESA-N 380.879 3.689 0 40 GHAB C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cnc2c(c1)COCC2 665803913 ICUPKTLPDNHPQC-GFCCVEGCSA-N 380.366 3.870 0 40 GHAB CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)N[C@]34CCC[C@@H]3C4)cc2)c1 666134597 BDJVMJHQLMPNIY-VLIAUNLRSA-N 386.473 3.947 0 40 GHAB O=C(NCCOc1ccccc1)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 1775966874 JXNXWVCPEASORE-HXUWFJFHSA-N 382.485 3.827 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[C@H](Oc2ccncc2F)C1 1776008428 FANXKXUEMJHTRO-HNNXBMFYSA-N 378.831 3.711 0 40 GHAB CCN(CC)Cc1cc(OC)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C 2631307 QPTPVPDCICDQKL-KRWDZBQOSA-N 382.504 3.894 0 40 GHAB COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cccc(C(C)=O)c1 908201 CMKPTSFMJKRIHY-UHFFFAOYSA-N 396.472 3.518 0 40 GHAB CCc1nc(SCC(=O)Nc2cccc(C(=O)OC)c2)c2ccccc2n1 1332538 PLLIPFHSKIQCIU-UHFFFAOYSA-N 381.457 3.710 0 40 GHAB O=S(=O)(c1cccc(F)c1)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 1364228 YQXTUSSUCVCWAC-LBPRGKRZSA-N 393.465 3.506 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 22021106 TZJYSVVVNQGVGH-UHFFFAOYSA-N 387.457 3.774 0 40 GHAB CCOC(=O)[C@](O)(c1ccc(NC(=O)c2ccc(C)cc2)cc1)C(F)(F)F 2187972 RUGMRXQGWUHDGL-GOSISDBHSA-N 381.350 3.560 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccccc2Br)o1 22246440 UZCLKNHHQAVPMB-YPMHNXCESA-N 384.295 3.986 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 22318900 XYFGTJNMWNAHPG-NRFANRHFSA-N 393.531 3.736 0 40 GHAB Cc1ccc(S(=O)(=O)n2c(CN3CCC[C@@H](C)C3)nc3ccccc32)cc1 4861654 BVXMDSNCCAOGSA-QGZVFWFLSA-N 383.517 3.814 0 40 GHAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S 6569810 CJUNOPFJYVQKME-AYYGCFCKSA-N 378.519 3.597 0 40 GHAB CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)cc1 6680487 JPWGHUMQPOLNMG-UHFFFAOYSA-N 394.518 3.574 0 40 GHAB COc1ccccc1Nc1nc(N)nc(CSc2nc3cc(C)ccc3[nH]2)n1 8458509 UQTNVBNZXVZVQX-UHFFFAOYSA-N 393.476 3.683 0 40 GHAB COc1ccc(OC)c(NC(=O)C[C@@H]2Sc3cc(OC)ccc3N=C2O)c1 61720172 FNTQKLFDGZQMDZ-KRWDZBQOSA-N 388.445 3.804 0 40 GHAB CC1=NN(S(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)c2ccccc2O1 1386502 GAKMNWCHPCYSBV-UHFFFAOYSA-N 385.228 3.550 0 40 GHAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCCCC3)c3ccccc32)c(C)c1 1320681 DARIYMVQFRLWIK-XMMPIXPASA-N 392.499 3.554 0 40 GHAB C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)c1c[nH]c2ccccc12 9546778 BHCGMKMQUQGFLY-NWDGAFQWSA-N 388.518 3.974 0 40 GHAB C[C@H](Oc1ccccc1Cl)C(=O)NCCNc1ncccc1C(F)(F)F 59352688 AUUMECOBPSYCQK-NSHDSACASA-N 387.789 3.749 0 40 GHAB Cn1ccnc1SCC(=O)Nc1ncc(Cc2ccccc2Cl)s1 12525282 HDHRFNRFIDIXDO-UHFFFAOYSA-N 378.910 3.852 0 40 GHAB Cc1cccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)c1 102085406 OBRQVRYNQRWLIZ-BGJURXJTSA-N 399.446 3.772 0 40 GHAB O=C(NCCc1cn2ccccc2n1)C1(c2ccc(Br)cc2)CCC1 26747751 VBTIVGWOXNYUKK-UHFFFAOYSA-N 398.304 3.877 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(Nc2ccc(F)c(C)c2)n1 57507662 GJXJHUAOQPSGHF-UHFFFAOYSA-N 384.386 3.521 0 40 GHAB COCCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 1816285 VQDPXSBSVSIDGZ-UHFFFAOYSA-N 392.908 3.909 0 40 GHAB O=C(OCCCN1C(=O)c2ccccc2C1=O)c1csc(-c2ccsc2)n1 25188186 YBEMOUKTRAOKIO-UHFFFAOYSA-N 398.465 3.715 0 40 GHAB CN(CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1)c1ccccc1 20219905 JGQTZDJUISRCLA-UHFFFAOYSA-N 397.450 3.640 0 40 GHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cccc(Cn2ccnc2)c1 25176348 KBEUPLRULOBOID-UHFFFAOYSA-N 383.835 3.537 0 40 GHAB O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(F)cc1 3326835 PAECGJYDRBGJQZ-UHFFFAOYSA-N 386.452 3.611 0 40 GHAB CC(C)Cc1nc2sc3c(NCCO)ncnc3c2c2c1COC(C)(C)C2 2275861 PAGRTMCMYRTTJC-UHFFFAOYSA-N 386.521 3.694 0 40 GHAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(F)c(Cl)c4)n(C)c3nc12 2215749 WQAXFQILFHSMCX-UHFFFAOYSA-N 384.798 3.539 0 40 GHAB CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3F)c2)CC1 113957896 VPZQOIFGMXOWPR-UHFFFAOYSA-N 394.443 3.638 0 40 GHAB O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCc1ccc(F)cc1 2411082 UWODRULKRCROHN-UHFFFAOYSA-N 390.484 3.760 0 40 GHAB COc1cc(C(=O)NCCCN2CCc3ccccc3C2)cc(Cl)c1OC 46239231 RCKFRKQMXUNONJ-UHFFFAOYSA-N 388.895 3.535 0 40 GHAB O=C(NCc1nc2ccccc2[nH]1)c1cc2c(F)cc(Br)cc2[nH]1 46319876 MHMIUOFHMGQLNV-UHFFFAOYSA-N 387.212 3.876 0 40 GHAB COc1ccccc1NS(=O)(=O)c1c(F)cc(F)cc1Br 3448502 BSYPPKJWPAYROK-UHFFFAOYSA-N 378.194 3.537 0 40 GHAB Cc1ccc(CN2Cc3c(nc(C)n3CC3CC3)C3(CCN(C)CC3)C2)s1 306138890 SKGPMRBUZHHPDA-UHFFFAOYSA-N 384.593 3.951 0 40 GHAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Oc1ccccc1Cl 12945161 NJRZLPPINMCRHR-UHFFFAOYSA-N 389.864 3.702 0 40 GHAB Cc1ccc2nc(CNc3cc(Cl)ccc3OC[C@H]3CCCO3)cc(=O)n2c1 63470439 DGJRXLBMMJPRLI-QGZVFWFLSA-N 399.878 3.826 0 40 GHAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Br)cn1 4087817 VBFPLZLZQJSGIE-UHFFFAOYSA-N 384.686 3.553 0 40 GHAB COc1cc(-c2noc(-c3cc(-c4cccs4)[nH]n3)n2)cc(OC)c1OC 9002127 IKUYHBHCSHFBPN-UHFFFAOYSA-N 384.417 3.881 0 40 GHAB CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 6094170 WMCYQQPKXSGQRG-ZIAGYGMSSA-N 399.491 3.914 0 40 GHAB Cc1cc(Cl)cc(OCC(=O)N2N=C3CCCC[C@H]3[C@@]2(O)C(F)(F)F)c1 409188777 GFZLWYJUSOPABB-CZUORRHYSA-N 390.789 3.667 0 40 GHAB Cc1ccc([C@@H](NC(=O)c2ccccc2NS(C)(=O)=O)c2ccccc2)cc1 20104536 DQLXIQJFCIQUKT-NRFANRHFSA-N 394.496 3.886 0 40 GHAB CC(C)N(C(=O)CSc1nc2ccsc2c(=O)n1C)C1CCCCC1 14015483 MDKGIBHCKODYRM-UHFFFAOYSA-N 379.551 3.657 0 40 GHAB CCCCc1ccc(N2C[C@H](C(=O)NCCCc3nccs3)CC2=O)cc1 65551842 SUOIQYMHNHCKHB-QGZVFWFLSA-N 385.533 3.588 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(OC(C)C)c2)NC(=S)N1 4546533 PWOVTANQRAKRLA-IBGZPJMESA-N 381.501 3.905 0 40 GHAB CCCc1cc(=O)oc2c3c(cc(OCC(=O)NC4CC4)c12)OC(C)(C)CC3 6623894 IYZGWTNOHMRIIV-UHFFFAOYSA-N 385.460 3.507 0 40 GHAB biogenic COc1ccc(NC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)c(OC)c1 6661074 PCGPYBRENXCSFY-UHFFFAOYSA-N 397.427 3.704 0 40 GHAB CCOc1cc([C@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)ccc1O 4742010 OHPHNIAHAZEQGW-IBGZPJMESA-N 379.416 3.603 0 40 GHAB CCc1ccc(CSC2=Nc3cc(OC)c(OC)cc3C3=NC(=O)CN23)cc1 5657617 JMKBKSRMMCYZGK-UHFFFAOYSA-N 395.484 3.790 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1 5630899 MYHSYIOIOPLXTA-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB CCOc1ccc(-n2c(=O)c3sccc3n(Cc3cccc(F)c3)c2=O)cc1 67260253 DVBQACNZYHFVSI-UHFFFAOYSA-N 396.443 3.800 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)N(C)Cc2ccccc2)nc2cc(C)[nH]c2c1=O 67238638 PGOUIWNUYURWTF-OAHLLOKOSA-N 398.532 3.755 0 40 GHAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CCc2ccccc21 7161837 TYOFNLGSPSTHEM-GFCCVEGCSA-N 386.502 3.813 0 40 GHAB COc1ccc(-c2noc(COC(=O)c3c(C)noc3C(C)C)n2)cc1OC 7412265 UMIPLRHXFQCXRA-UHFFFAOYSA-N 387.392 3.531 0 40 GHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NCCc1cccs1 7828584 WFCPXLXHXGEQPX-UHFFFAOYSA-N 384.486 3.730 0 40 GHAB CC(=O)c1cccc(O[C@@H](C)C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 68731692 VXRZELAOZRSTGB-LPHOPBHVSA-N 387.501 3.926 0 40 GHAB NC(=O)N[C@H](CC(=O)N1CCC[C@H]1c1cccs1)c1ccc(Cl)cc1 7986023 APMZPGCDAWISKI-CABCVRRESA-N 377.897 3.865 0 40 GHAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2C)cs1 17077744 UZAFAXUQYNEDPD-UHFFFAOYSA-N 380.445 3.861 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2)cc1 18175668 OIWVKAVBTBBYNJ-AWEZNQCLSA-N 393.484 3.739 0 40 GHAB Nc1nc(SCC(=O)c2ccc(-c3ccc(Br)cc3)cc2)n[nH]1 8748243 SBIAIOHIGTYPHA-UHFFFAOYSA-N 389.278 3.791 0 40 GHAB Cc1sc2nc(COC(=O)Cc3c(F)cccc3Cl)nc(N)c2c1C 8747374 ZFVFRSLZUGNDJO-UHFFFAOYSA-N 379.844 3.969 0 40 GHAB CN(Cc1ccccc1)c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cn1 72301773 HSYICTYTPGRIKX-UHFFFAOYSA-N 389.427 3.797 0 40 GHAB COc1ccccc1[C@H](C)N(C)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 72309090 YPQZQPRTOISENC-HNNXBMFYSA-N 398.532 3.722 0 40 GHAB Cc1nc(-c2cccc(N[C@@H](C)CCCOc3ccccc3C(N)=O)c2)n[nH]1 97095503 XYKBBSUEEXRRHM-AWEZNQCLSA-N 379.464 3.539 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1cccnc1)c1ccc(F)cc1 84678342 UOYVESLVOFNGNC-YCRPNKLZSA-N 378.403 3.982 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)c1C 95946652 IDEFFOZUCJLTFE-HNNXBMFYSA-N 379.863 3.659 0 40 GHAB Fc1ccccc1-c1ccc2nnc(C3CCN(Cc4ccoc4)CC3)n2n1 306132930 LWQHBFOEIKLQLL-UHFFFAOYSA-N 377.423 3.903 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)cc1OC 409411316 FWLRXZYTIRIMHO-CYBMUJFWSA-N 376.412 3.844 0 40 GHAB COc1ccc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccc2)cc1 306124529 BSTPALZEQXEODV-PKTZIBPZSA-N 387.483 3.578 0 40 GHAB CCc1ccc(C2=NN(C(=O)Cc3ccccc3)[C@](O)(C(F)(F)F)C2)cc1 409095474 HXVFNDANUCBCAJ-LJQANCHMSA-N 376.378 3.679 0 40 GHAB COCC(=O)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359542 DSCPUUGSVQXJEM-AWEZNQCLSA-N 379.382 3.515 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCCO2 35511652 RJXPFWHHXRSHKV-NRFANRHFSA-N 383.444 3.746 0 40 GHAB O=C(Cc1cccc(F)c1)N1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 72347873 IMVBVEFHPFYWHP-UHFFFAOYSA-N 388.826 3.793 0 40 GHAB CCOC[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 218515874 KFKQMMJQLBWYJP-SLFFLAALSA-N 393.936 3.570 0 40 GHAB COc1ccc(NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1Cl 71761857 XKESPOZWFXCXFV-UHFFFAOYSA-N 377.897 3.994 0 40 GHAB COc1ccc(C(=O)NCCCC(=O)Nc2ccc(Br)cc2)cc1 41157345 KRLWKQDSACUNDP-UHFFFAOYSA-N 391.265 3.606 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)c2ccncc2)n1 72376956 YSEUTIWIUFGZJE-GOSISDBHSA-N 377.423 3.627 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCc1cccc(OC(C)C)c1)CCCC2 224785705 YFYKTUOFWXRPBK-UHFFFAOYSA-N 389.517 3.840 0 40 GHAB COc1cc2c(cc1CN(CCCn1ccnc1)Cc1ccccc1F)OCO2 43277844 YWGCGKABUHMNAX-UHFFFAOYSA-N 397.450 3.852 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1 223192678 MBPZSMVQTOFCHD-LJQANCHMSA-N 388.895 3.581 0 40 GHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCCOC 44904836 QFQWRVBLSCRFPE-SFHVURJKSA-N 390.867 3.512 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(CC)cc1 224622659 FSIBMQIXYAYHFB-QFIPXVFZSA-N 396.531 3.614 0 40 GHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc2c3c(cccc13)CC2 224077750 AEYHNELYTZNSEY-UHFFFAOYSA-N 380.469 3.871 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(Cl)c1 223635383 WXIXDMIFFXVKLW-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1cccc(C)c1 225451118 NRGZMDKITAHIAS-QFIPXVFZSA-N 396.531 3.750 0 40 GHAB CSc1cccc(NC(=O)c2ccccc2OCC(=O)NCc2ccco2)c1 226796016 NILRFOVHZANDLS-UHFFFAOYSA-N 396.468 3.949 0 40 GHAB CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1ccncc1)CC2 96036969 STDIBEGWDHOYAF-UHFFFAOYSA-N 391.494 3.521 0 40 GHAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CCC(=O)NCCO)ccc3O2)cc1 257270981 MWKILVHFVJATFU-DEOSSOPVSA-N 381.516 3.787 0 40 GHAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)NCc1cc(F)cc(F)c1 253408704 YOLCFCMSNUUVSC-JTQLQIEISA-N 376.334 3.742 0 40 GHAB biogenic,in-vitro COc1cc(N2CCCC[C@H]2C)nc(NC(=S)NC2CCCCCC2)n1 260712518 ICKTZIHJRVZDFZ-CQSZACIVSA-N 377.558 3.873 0 40 GHAB O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)N[C@@H]1CC12CCOCC2 652743647 HTKDZWFWHXXAAU-OAHLLOKOSA-N 380.370 3.582 0 40 GHAB O=C(CN1CCC[C@H]1[C@H](O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1196773911 VYJXZZGXVIBOEE-PKOBYXMFSA-N 394.393 3.722 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)Nc3c4c(nn3C)CSC4)s2)cc1 604418834 JOPMZWCYQFONPG-UHFFFAOYSA-N 386.502 3.860 0 40 GHAB CO[C@@H](CNC(=O)Nc1ccc(N(C)C(C)=O)cc1)c1cccc(Cl)c1 608294035 QFINYNKVONXFNW-SFHVURJKSA-N 375.856 3.832 0 40 GHAB CCC[C@H](NC(=O)Nc1cccc(-c2nnnn2C(C)C)c1)c1ccccn1 626637814 BUAXTPSMEMZOMU-SFHVURJKSA-N 379.468 3.979 0 40 GHAB O=C(N1CC[C@@H](Oc2ncc(F)cn2)C1)C1(c2ccc(Cl)cc2)CCCC1 390826725 BGYDEXWMBRKKCR-QGZVFWFLSA-N 389.858 3.761 0 40 GHAB Cc1cccc(CN2CCC3(CCN(C(=O)Cc4ccccc4)CC3)C2=O)c1 585099744 BENXZTAPMFNAMD-UHFFFAOYSA-N 376.500 3.579 0 40 GHAB C[C@H]1Nc2ncnn2[C@@H](c2ccccc2F)[C@@H]1C(=O)Nc1ccc(Cl)cc1 11694855 KYYPOJIBWZWYNG-LQAWEQHXSA-N 385.830 3.729 0 40 GHAB COCc1nn2c3c(cnc2c1-c1ccc(Br)cc1)C(=O)CCC3 13638394 AUTFUGVDIKKRPH-UHFFFAOYSA-N 386.249 3.824 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)cc1 14083138 SLGMMICKELLPPW-CYBMUJFWSA-N 380.366 3.693 0 40 GHAB Cc1ccn2c(=O)cc(COc3ccc(NC(=O)c4cccs4)cc3)nc2c1 15865477 KITBXFNECCAQTB-UHFFFAOYSA-N 391.452 3.896 0 40 GHAB NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCC2)C1 19348374 HNPNIAKYKUNAID-HSZRJFAPSA-N 380.463 3.539 0 40 GHAB c1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1 19369587 BCEMHADMTHMVGL-JOCHJYFZSA-N 388.519 3.700 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)cc1C 19571123 RBRAPXOHXLXXGI-IBGZPJMESA-N 376.460 3.695 0 40 GHAB COc1ccc(C2(CNC(=O)c3ccc4c(c3)c(C)cn4C)CCOCC2)cc1 19714306 LWWVTJJAUZMHMK-UHFFFAOYSA-N 392.499 3.974 0 40 GHAB C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)C1 19829786 KDAJVFNSWWYRAS-LLVKDONJSA-N 396.310 3.850 0 40 GHAB CC(C)[C@H]1N(C(=O)c2cccn3cc(C(F)(F)F)nc23)CC12CCOCC2 616290451 JRYMNRFLRZOVID-OAHLLOKOSA-N 381.398 3.630 0 40 GHAB C[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1)c1cccs1 257330267 XNQGIJNWUJOFKG-XPEUFWPYSA-N 395.528 3.913 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@@H]2CN(c3cc(C4CCC4)ncn3)C[C@H]2C1 1888876054 ISWLKGCQIULKHS-GJZGRUSLSA-N 389.425 3.731 0 40 GHAB O=C(NCc1ccc(F)cc1)N1CCC[C@@H](COc2ncccc2Cl)C1 1890298558 XKDGYGIPAXGZCI-OAHLLOKOSA-N 377.847 3.875 0 40 GHAB CC(C)Oc1ccccc1CN1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1137136500 SPPIHMHUMVCMEG-UHFFFAOYSA-N 394.515 3.872 0 40 GHAB O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1F 3020259 KYQQHMOKJDDUEP-UHFFFAOYSA-N 394.512 3.621 0 40 GHAB CCOC(=O)[C@@H](C)Sc1nnc(NC(=O)c2ccc3ccccc3c2)s1 4079379 WRKCVCRDKVXLOW-LLVKDONJSA-N 387.486 3.987 0 40 GHAB O=C(CSc1ncnc2c1nnn2Cc1ccc(Cl)cc1)c1ccccc1 4269186 DAFPXMIYRDTGLJ-UHFFFAOYSA-N 395.875 3.898 0 40 GHAB CC(=O)c1ccc(NC(=O)Cn2nc(-c3cc(C)c(C)cc3C)ccc2=O)cc1 5410374 RLTPTNNWOSVSOW-UHFFFAOYSA-N 389.455 3.677 0 40 GHAB Cc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](C)C(=O)N23)c(C)c1 7616064 PDYJKTGGEDRNLT-CQSZACIVSA-N 392.484 3.654 0 40 GHAB COc1ccc2nc(N(Cc3cccnc3)C(=O)c3cc(C)n(C)n3)sc2c1 9002422 HPDLDNWHCTZNLU-UHFFFAOYSA-N 393.472 3.589 0 40 GHAB CN(C(=O)CSc1nnc(-c2ccccc2)n1-n1cccc1)c1ccccc1 9737773 IWXWFBCEEIWCEQ-UHFFFAOYSA-N 389.484 3.813 0 40 GHAB CSc1ccccc1NC(=O)CN1CCN(c2ccc(F)c(F)c2)C1=O 49026297 HZKDXXOJHVKJIS-UHFFFAOYSA-N 377.416 3.567 0 40 GHAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(I)cc1 5892268 LPFPXGGOYHZHAJ-UHFFFAOYSA-N 393.633 3.745 0 40 GHAB CCOC(=O)CCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(C)cc2)cs1 12441969 BEMBEQVPGSIDIG-UHFFFAOYSA-N 398.488 3.894 0 40 GHAB CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccc(C)c3)cc2)CC1=O 10461934 LOCDMQXPSLZBJC-SFHVURJKSA-N 393.487 3.834 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1csc(Cc2ccccc2)n1 40088730 ODTSAZXTQWSMIX-GOSISDBHSA-N 381.501 3.894 0 40 GHAB Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc3c(c2)OCCCO3)cs1 40130171 HNUWEWXPTVQIGM-UHFFFAOYSA-N 383.473 3.893 0 40 GHAB Cc1ccc(OCCN(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 40103803 VTWUYBHVBSHURJ-UHFFFAOYSA-N 396.535 3.598 0 40 GHAB O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccsc1 40107826 ZOXSFCLJGLLEHD-OAHLLOKOSA-N 382.407 3.860 0 40 GHAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NC[C@@H](c1ccccc1)N1CCCC1 32217579 RGJSPRCZJBXLKW-ZVQQDINOSA-N 386.499 3.839 0 40 GHAB CC1CCC(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)CC1 20895832 JWSAHCAVNFDONW-UHFFFAOYSA-N 381.505 3.603 0 40 GHAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1 102093481 DDYBJACGNHZLCX-BCIPIUJLSA-N 396.668 3.810 0 40 GHAB Cc1ccc(-c2csc(NC(=O)Cn3c(C)nc4ccccc4c3=O)n2)s1 32795842 JDHJODFXGGQFMP-UHFFFAOYSA-N 396.497 3.837 0 40 GHAB Cc1c(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cnn1C 32900601 XTRJSOMBWCKANH-OAHLLOKOSA-N 376.460 3.814 0 40 GHAB O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1ccccc1N1CCCC1 32924170 LFKBNYXWOSICBZ-UHFFFAOYSA-N 398.528 3.578 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NCc3ccc(Cl)cc3)cc2)n1 2653568 KEQZNQZPLONGOV-UHFFFAOYSA-N 397.862 3.616 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc3c(n2)[nH]c2ccccc23)cc1 929938 TZTAHPFMFDPIKS-LLVKDONJSA-N 379.445 3.634 0 40 GHAB CCc1ccccc1-n1c(CNc2c(C)cccc2C)nnc1SCC(N)=O 1328468 LFQJHGAEHVGKST-UHFFFAOYSA-N 395.532 3.636 0 40 GHAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1F)C[C@@H]1CCCO1 1330110 WMADYIRUEMSKSF-KRWDZBQOSA-N 381.403 3.754 0 40 GHAB O=C(O)[C@H](NCCCCCCCN[C@@H](C(=O)O)c1ccccc1)c1ccccc1 4758191 GQZOPQRANHBKDU-NHCUHLMSSA-N 398.503 3.768 0 40 GHAB Cc1nn(CCNC(=O)c2ccc(Cl)cc2Cl)c(C)c1Br 2797691 BOPJDTDCQCZTRK-UHFFFAOYSA-N 391.096 3.999 0 40 GHAB CCCC[C@H](OC(=O)c1cc2occc2n1C(C)C)C(=O)NC[C@H]1CCCO1 4967181 VSGVKSBOKPENNL-QAPCUYQASA-N 390.480 3.826 0 40 GHAB Cc1ccc(-c2noc(CN3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1 12284528 IFBDJYJQSDVTEY-SFHVURJKSA-N 376.460 3.896 0 40 GHAB CCOc1cc(CNC2CCCCCC2)cc(Br)c1OCC(N)=O 8253713 RGHLWANDELPMGA-UHFFFAOYSA-N 399.329 3.524 0 40 GHAB Cc1ccc2nsnc2c1NC(=S)NC(=O)Cc1ccc(Cl)cc1 59365122 CIBPXRIWGCBZLK-UHFFFAOYSA-N 376.894 3.709 0 40 GHAB O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1 57328046 FYVDQUKJYVRYBC-UHFFFAOYSA-N 388.452 3.694 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)c1cc3cnn(C(C)C)c3nc1C)OCO2 24694437 QJNCEIXDBWANRS-UHFFFAOYSA-N 380.404 3.504 0 40 GHAB CC[C@H](C)NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 22274102 KBUBXZOPAJWWRO-KRWDZBQOSA-N 388.533 3.920 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(OCc2cccnc2)cc1 24859593 VGYCYOJQRFLIAX-UHFFFAOYSA-N 393.418 3.510 0 40 GHAB COc1cc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc(OC)c1 1397111 XGJCGTHDWZFVTP-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB CC(C)c1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 22257113 XHJXXERHFGPLKA-UHFFFAOYSA-N 377.491 3.742 0 40 GHAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCN(c2ccccc2F)CC1 28295284 HZHALIXSPNDTQI-RTBURBONSA-N 386.511 3.901 0 40 GHAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(Cl)cc2N)c1C 3294405 UCTISXJPHPKEDA-LBPRGKRZSA-N 378.856 3.588 0 40 GHAB O=C(c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)N1CCCCC1 3254863 REXSRFZIQIUVKI-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB CCN1C(=O)[C@@H](C(=O)N[C@@H](C)c2ccccc2)[C@@H]2C[C@]1(C)Oc1ccccc12 100632487 IBJXYVQUQVHMFM-RZBWMALZSA-N 378.472 3.625 0 40 GHAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)c1cc(C)c(C)c(C)c1C 36240757 KCCMGBCNQCWZEB-CIAFOILYSA-N 379.456 3.823 0 40 GHAB CC(C)(C)OC(=O)NCCc1nnc(SCC(=O)c2ccc(Cl)cc2)o1 2209738 MWWKAJFDEFDDCJ-UHFFFAOYSA-N 397.884 3.765 0 40 GHAB CCc1ccc(CC)c(C(=O)COC(=O)c2cccc(CN3CCCC3=O)c2)c1 10607797 PFZIJODFLRQBQR-UHFFFAOYSA-N 393.483 3.974 0 40 GHAB CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1ccccc1F)S(C)(=O)=O 113966903 XLXSLRLRWGXFRC-QGZVFWFLSA-N 378.469 3.626 0 40 GHAB O=C(c1cccnc1SC(F)(F)F)N1CCC[C@@H](c2nncn2C2CC2)C1 84358159 YJVWZUYYAFOBJO-LLVKDONJSA-N 397.426 3.640 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1SC)N(c1ccccc1F)S(C)(=O)=O 113966914 MQNLOAOBDGNQPU-OAHLLOKOSA-N 396.509 3.731 0 40 GHAB COc1ccc2c(c1)[nH]c1c(N3CCN(c4ccc(F)cc4)CC3)ncnc12 2361033 YJDMIAIVQYKTMF-UHFFFAOYSA-N 377.423 3.585 0 40 GHAB CCOc1cc2c(cc1N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)O[C@H](C)C2 11037796 ITBZCWQEWMUTLF-ASSNKEHSSA-N 384.451 3.980 0 40 GHAB COc1cc(/C=C/C(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1OC(C)C 12779945 DIFTXIKTADBRRQ-ACUNGTFPSA-N 394.515 3.886 0 40 GHAB C[C@H](CCc1ccco1)NC(=O)CSCC(=O)Nc1ccc(Cl)cc1 12755071 AVRXLBJZHQJPCI-CYBMUJFWSA-N 380.897 3.742 0 40 GHAB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1ccc(-n2cncn2)c(F)c1 12741738 NTNMOXKCLIFPAN-NTUHNPAUSA-N 393.809 3.714 0 40 GHAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCCc1c[nH]c2ccccc12 12773493 RPTJJOQZOGMLGF-UHFFFAOYSA-N 384.863 3.884 0 40 GHAB COc1ccc([C@H]2CCCN2c2ccc3nnc(C(F)(F)F)n3n2)c(OC)c1 12871899 OPCLUGXKYRPHEQ-CYBMUJFWSA-N 393.369 3.502 0 40 GHAB Cc1ccccc1-n1ncc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1C1CC1 29756493 FXVNZUQZUYWHJK-UHFFFAOYSA-N 393.516 3.755 0 40 GHAB COC(=O)c1ccc(CNC(=O)CCCOc2ccc(Cl)cc2C)cc1 12816409 HRVWDIFSEBCIEC-UHFFFAOYSA-N 375.852 3.910 0 40 GHAB CC(=O)c1cccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 12812114 IUPUCBQQFLYMPX-UHFFFAOYSA-N 395.484 3.568 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccc(Br)c2)c1 3459120 PXXNDLUCMKEZAT-UHFFFAOYSA-N 388.670 3.758 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cnc(C)cn1)c1ccccc1 3467251 KAHBJZANWCJPNN-FQEVSTJZSA-N 391.427 3.721 0 40 GHAB CC(=O)NCCCc1ccc(C(=O)CSc2nnc(-c3ccoc3C)o2)cc1 8727735 RWOBGKKTBUHZCV-UHFFFAOYSA-N 399.472 3.682 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)o2)cc1OC 5019270 WASMCUXWHILWIF-TZMCWYRMSA-N 391.493 3.541 0 40 GHAB CCN(c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1)C(C)C 5200341 ZZWLBALNGDNEQV-UHFFFAOYSA-N 379.460 3.546 0 40 GHAB COc1ccc(C2=NO[C@@H](COc3ccc4c(C)cc(=O)oc4c3)C2)c(OC)c1 5338917 KWSUHWVBKGMFSX-MRXNPFEDSA-N 395.411 3.691 0 40 GHAB biogenic C[C@H](N[C@H](C)c1ccccc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1 14157556 XPXSNQFBFHDLNA-MSOLQXFVSA-N 385.939 3.724 0 40 GHAB COC(=O)[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c2ccccc2O1 6810870 ISNQHFJDAYWQTD-YWZLYKJASA-N 383.444 3.545 0 40 GHAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(OC[C@@H]2CCCO2)cc1 5982394 NTMLJTGFMSOIHY-SFHVURJKSA-N 386.835 3.903 0 40 GHAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cc(Cl)c3c(c1)OCCCO3)C2=O 7084181 QQLUIGFEOFMOAQ-BLVKFPJESA-N 378.856 3.502 0 40 GHAB COc1cccc(-c2n[nH]c(SCc3cc(=O)c4cc(F)ccc4[nH]3)n2)c1 21943548 IWGSZWCWHMWIOU-UHFFFAOYSA-N 382.420 3.753 0 40 GHAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)N3CCOC3=O)nc2c1 7371007 SQEJFFWAQOOYPY-UHFFFAOYSA-N 394.452 3.981 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCCC2)o1 15860221 DYJPLFYRKPCXSC-MRXNPFEDSA-N 377.282 3.917 0 40 GHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1c2ccccc2N=C(O)[C@@H]1C(C)C 15973447 JMPAIBMAAPIQTC-MJGOQNOKSA-N 395.459 3.613 0 40 GHAB CN1CCN(c2ccccc2NC(=O)c2ccc(COc3ccccc3)o2)CC1 7718887 GYBHFGIVIYLHHP-UHFFFAOYSA-N 391.471 3.863 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NCc2ccc(Cl)cc2)c1 7716854 SQYPFWGGZYHGDX-LJQANCHMSA-N 388.895 3.811 0 40 GHAB COc1ccc2c(CC(=O)NCc3ccc(Cn4cccn4)cc3)coc2c1 16302205 SRGSAYZCPJMVOV-UHFFFAOYSA-N 375.428 3.545 0 40 GHAB Cn1c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nnc1C1CC1 8013699 ZTWXIZSNOJAPIU-UHFFFAOYSA-N 395.513 3.950 0 40 GHAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(Br)cc1F 97592194 MFYVTLNLZCCDNB-CQSZACIVSA-N 391.284 3.935 0 40 GHAB CCOc1ccc(NC(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)cc1 97943918 MVYXALKFTOBZKP-SFHVURJKSA-N 398.850 3.854 0 40 GHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCSCc1ccccc1 24616385 RYCHQKOIAMMJJS-UHFFFAOYSA-N 377.893 3.703 0 40 GHAB NC(=O)COc1ccc(CNc2ccc(F)c(Cl)c2)cc1Br 408607201 JUAVXOFYZBWKKG-UHFFFAOYSA-N 387.636 3.718 0 40 GHAB CCOc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1NC(=O)CC 408696655 DDIUWVGMSKMTJK-UHFFFAOYSA-N 396.896 3.566 0 40 GHAB O=C(c1ccncc1)N1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1 72378323 HSVDIHCALPTXCD-IBGZPJMESA-N 380.423 3.543 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N3)cc1 31814801 RVYOHKRLGGYZSV-HNNXBMFYSA-N 399.813 3.568 0 40 GHAB Cc1cc(C)n(-c2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)n1 72404813 JUQYEIJAPKIFKP-UHFFFAOYSA-N 388.515 3.884 0 40 GHAB Cc1ccc(-n2nnc(C(=O)NCCc3ccccc3)c2-c2cccnc2)cc1 38487482 MVLVNGKLDAXTOL-UHFFFAOYSA-N 383.455 3.610 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)Oc2ccccc2C)c(Br)c1 36392746 GZRYHHQXZIORMM-UHFFFAOYSA-N 399.262 3.702 0 40 GHAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)C1=Cc2ccccc2OC1 72396253 GXXOFGYPFAPGNL-NRFANRHFSA-N 385.467 3.901 0 40 GHAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc(F)cc(F)c1 71980532 WJRMESBGZOOZJT-FOCKTWCOSA-N 381.419 3.823 0 40 GHAB O=C(NCc1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 222880714 AZXATLJJWZGKHE-UHFFFAOYSA-N 394.496 3.554 0 40 GHAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CC 225656887 ARCNOEOFDBQOOH-JOCHJYFZSA-N 396.531 3.961 0 40 GHAB CN(c1cccc(C(=O)NCc2cccc(F)c2)c1)S(=O)(=O)c1ccccc1 224499831 QWTSNPRCWXECOO-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB NC(=O)c1cc(Br)ccc1OCc1cccc(Br)c1 226327733 AXOBBAVZLJUULF-UHFFFAOYSA-N 385.055 3.890 0 40 GHAB Cc1ccc(NC(=O)CN2CCC(c3nc(-c4cccs4)no3)CC2)cc1 49403507 RORRQBITRUSRHE-UHFFFAOYSA-N 382.489 3.925 0 40 GHAB CN([C@@H](C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1)S(C)(=O)=O 225767686 HDZIQIRFTVHMQN-OAHLLOKOSA-N 387.288 3.565 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 224812507 NQEGGWGLLBIELX-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225642539 ACJBMDCKZLWRIR-INIZCTEOSA-N 383.517 3.876 0 40 GHAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)NCc1cc(F)cc(F)c1 225434692 HZMXMZNKINQBIY-JTQLQIEISA-N 376.334 3.742 0 40 GHAB biogenic,in-vitro CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc4ccccc34)ccc21 222896644 CTZHKTXZOQIEEQ-UHFFFAOYSA-N 394.496 3.617 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 223486002 GTWMJVDFOMDCNZ-QGZVFWFLSA-N 388.533 3.509 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1 225535033 ULQQXIAQALQXGR-INIZCTEOSA-N 388.895 3.661 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccccc1C 225841480 KQUZGEFOMKJBFZ-FQEVSTJZSA-N 398.528 3.724 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1 223995555 OZUYLYJKSFUSFR-VQTJNVASSA-N 391.500 3.854 0 40 GHAB COc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)c(OC)c1 95477080 BPSCGQBDYSPNIO-QGZVFWFLSA-N 389.477 3.733 0 40 GHAB CC1(C)[C@@H](O)CCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 583786457 KCGBPIMHOVIHOZ-ZDUSSCGKSA-N 382.247 3.561 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 260850860 SEVXCWHYYSLNAT-QAPCUYQASA-N 386.533 3.703 0 40 GHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260565639 QZWPYZLFKGLGHO-ZWOKBUDYSA-N 398.528 3.739 0 40 GHAB CN1C(=N)NC(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 670416560 KRYYAOLHSSYORC-LZYBPNLTSA-N 376.243 3.910 0 40 GHAB COCc1cc(N2CC[C@]3(C2)C(=O)Nc2ccccc23)c2cc(F)ccc2n1 685914293 YZETYZFWVWJLDT-JOCHJYFZSA-N 377.419 3.621 0 40 GHAB O=C(NC[C@H]1COc2ccccc2O1)N1CC=C(c2c[nH]c3ccccc23)CC1 604418997 DNWIQXDQOAYEGK-KRWDZBQOSA-N 389.455 3.807 0 40 GHAB CCN(C(=O)[C@@H](C)N1C(=O)c2ccc(C)cc2C1=O)c1ccc2[nH]ccc2c1 1616608455 RIGPWFCUXPWBKE-CQSZACIVSA-N 375.428 3.514 0 40 GHAB CCn1c(CN2CCC(c3ccc(OC)cn3)CC2)nc2cc(C(=O)O)ccc21 652425178 FTJJZPQTJUBWOP-UHFFFAOYSA-N 394.475 3.538 0 40 GHAB Cc1nc([C@@H](NC(=O)CC2CCC(C(=O)O)CC2)c2ccc(Cl)cc2)no1 566563711 LBDPODGKXQPBME-AJUCZRQESA-N 391.855 3.518 0 40 GHAB Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4cccc(F)c4)C[C@H]23)no1 585109754 PLRUWXQAKGRKCX-JAXLGGSGSA-N 391.446 3.822 0 40 GHAB Cc1nc(C2(NC(=O)c3cc4ccc(Br)cc4[nH]3)CCCC2)no1 47232937 ZIICVNYBCJRLNL-UHFFFAOYSA-N 389.253 3.821 0 40 GHAB Cc1cc(Br)ccc1NS(=O)(=O)c1cc(C)c(C(=O)O)s1 37225818 ZNLMUDGZWFKQSH-UHFFFAOYSA-N 390.280 3.626 0 40 GHAB C[C@H]1CCc2noc(C3CCN(C(=O)c4cc(-c5cccn5C)n[nH]4)CC3)c2C1 12119933 BIDUZCWTMXICAH-AWEZNQCLSA-N 393.491 3.548 0 40 GHAB CC[C@@H](C)C(=O)N1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12123552 UDUGLIVFKZDUGV-CJNGLKHVSA-N 381.480 3.753 0 40 GHAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)CCC4)CC1)O2 12330209 XEBGHOWCYQJQCG-DHIUTWEWSA-N 393.527 3.868 0 40 GHAB Cc1scc(C(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)c1C 12407015 DUOTVMHOZUZTFM-GFCCVEGCSA-N 391.447 3.760 0 40 GHAB Cc1ccc(CNC(=O)NCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 14416604 DKMRMHLHVXZEGY-ZDUSSCGKSA-N 394.302 3.978 0 40 GHAB COc1ccc(/C=C/c2nc3s/c(=C/c4ccc(Cl)cc4)c(=O)n3n2)cc1 16807440 OUMUIWLPWJRIDH-VFLBTRNGSA-N 395.871 3.531 0 40 GHAB COc1ccc(CCc2nnc(NC(=O)c3cn4cc(C)ccc4n3)s2)cc1 19234362 UIAYUZYVLOUEFF-UHFFFAOYSA-N 393.472 3.540 0 40 GHAB O=C(NCc1nnc(-c2ccccc2)o1)c1cc(-c2ccc(Cl)cc2)on1 19661797 PRVPRJPBYFGLOU-UHFFFAOYSA-N 380.791 3.975 0 40 GHAB COc1ccc(C2C(C(=O)OC(C)C)=C(C)NC(C)=C2C(=O)OC(C)C)cc1 19680812 XCAYRGPOOJILKH-UHFFFAOYSA-N 387.476 3.833 0 40 GHAB Cc1ccc([C@]2(O)CCN(C(=O)c3cc(-c4ccc(Cl)cc4)n(C)n3)C2)cc1 19717190 NWKBSMAFSJDLPP-QFIPXVFZSA-N 395.890 3.783 0 40 GHAB COc1ccccc1N1C[C@@H](c2nc(-c3ccc(C(F)F)nc3)no2)CC1=O 664958617 CZDCLXJHQIRPBD-LBPRGKRZSA-N 386.358 3.598 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2cccc(C)c2O)ccc1Br 3245485 HOCKRVLTNJEYQP-UHFFFAOYSA-N 378.222 3.567 0 40 GHAB Cc1cc(N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)ccc1Br 5119386 SRGBCPNBIHPVQS-LLVKDONJSA-N 377.238 3.925 0 40 GHAB Cc1nc(C)c(CN2C[C@H]3CN(c4ncccc4C(F)(F)F)C[C@@H]3C2)s1 1888864359 WDJJINZSSQFKDJ-KBPBESRZSA-N 382.455 3.742 0 40 GHAB CS(=O)(=O)/C=C/CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1889186304 PXASKZNHDQDOMC-SWGQDTFXSA-N 399.390 3.786 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909321 SQNBLPDBTCLSBP-QHCPKHFHSA-N 396.462 3.672 0 40 GHAB COc1ccc(C)cc1CC(=O)N1CCC[C@](O)(COc2ccc(C)c(C)c2)C1 2037913090 QCYWKMGHSXOIAX-XMMPIXPASA-N 397.515 3.595 0 40 GHAB CCN(C(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccccc1 100098698 NQHBZRVTDRYOET-IDPBPBMLSA-N 386.451 3.665 0 40 GHAB Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccccc2OC(C)C)cs1 1565553256 QQWUSWCWHOKRGG-OALUTQOASA-N 385.533 3.614 0 40 GHAB CCC(CC)C(=O)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 4078180 XBXRJDBHDMNXQT-UHFFFAOYSA-N 390.534 3.594 0 40 GHAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccc2ccccc2c1 5076002 ZFWRSNKWWUWSLG-UHFFFAOYSA-N 396.468 3.641 0 40 GHAB CCCCNC(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2)n1 8852738 TVBXLTMSHYPPBR-UHFFFAOYSA-N 377.535 3.641 0 40 GHAB Cc1csc(C(=O)N2CC[C@]3(COc4ccc(-c5cncnc5)cc43)C2)c1 2055793220 BFHCEZOWJGOLLH-OAQYLSRUSA-N 377.469 3.690 0 40 GHAB COCCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(C)cc1 12419232 OFPMGOAUEGYRSY-UHFFFAOYSA-N 386.473 3.850 0 40 GHAB COc1ccc(OC)c(-c2csc(-c3nnn(-c4ccc(F)cc4)c3N)n2)c1 33265150 BNCLWRWZQBHZDW-UHFFFAOYSA-N 397.435 3.796 0 40 GHAB O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC(c2nc3ccccc3o2)CC1 40144651 GHUVGBDJIKOMLR-FQEVSTJZSA-N 375.428 3.727 0 40 GHAB O=C(CCc1nc(Cc2ccccc2)no1)Oc1ccccc1Br 40130270 YPBVZGNGDQYEFU-UHFFFAOYSA-N 387.233 3.961 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1 40140150 PHFWARKDHLDVQP-UHFFFAOYSA-N 396.397 3.850 0 40 GHAB C[C@@H](Oc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cn1)c1ccccc1 40153408 GYFFEWFMVJCSAJ-SNVBAGLBSA-N 377.326 3.611 0 40 GHAB CCOc1ccc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1OCC 32295066 PKHJGXDLAOCEKL-UHFFFAOYSA-N 398.381 3.750 0 40 GHAB Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2sccc2c1=O 20861803 VNMDAIYQLUCFFY-UHFFFAOYSA-N 399.419 3.745 0 40 GHAB CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCc2ccccc21 32778015 FCZWEIFPLBUGFX-HSZRJFAPSA-N 395.522 3.874 0 40 GHAB CC(=O)N[C@@H](C(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1)C1CCCC1 32860362 OTQMIKBBZMGFPG-OAQYLSRUSA-N 394.471 3.677 0 40 GHAB O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)C1=COCCO1 32900695 BGLQDNMFRZRUDU-UHFFFAOYSA-N 384.560 3.531 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 33097539 MHDOJPDRHYUZBS-INIZCTEOSA-N 378.259 3.940 0 40 GHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[C@@H]1CCCc2ccccc21 2658879 KENZABKKYFTICS-GOSISDBHSA-N 392.480 3.542 0 40 GHAB COc1ccc(-c2nsc(NC(=O)COc3ccccc3Cl)n2)cc1 12111396 VCAOXWMKSXNQEE-UHFFFAOYSA-N 375.837 3.885 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)C3CCC3)s2)cc1C 1381634 UBMSBFIYAAPAOB-UHFFFAOYSA-N 376.507 3.624 0 40 GHAB COc1cc(OC)cc(C(=O)OCCOc2ccc(Br)cc2)c1 3297969 QAFAJRIFKLUDQV-UHFFFAOYSA-N 381.222 3.702 0 40 GHAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 6314099 KQUBZSKLBLKUCC-JTQLQIEISA-N 378.803 3.926 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NC2CCCCCC2)cc1 6321347 YTLWOXIVJIFMCK-UHFFFAOYSA-N 380.554 3.535 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)c1cc2c(s1)CC[C@H](C)C2 6547180 AEFNBSXPXOAKRO-LBPRGKRZSA-N 375.490 3.829 0 40 GHAB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(N)=O)cc2)C3=O)cc1C 790026 BQZMZZGSNZPVGT-UHFFFAOYSA-N 386.407 3.995 0 40 GHAB C[C@H](CNC(=O)[C@@H](C)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 22772759 UPGIELPGEYXOKG-JAGOQAECSA-N 391.559 3.626 0 40 GHAB CCOC(=O)[C@H]1C(=O)n2nc(C)c(-c3ccccc3)c2N[C@@H]1c1ccccc1 10385247 QAGWEFWKHKRCBD-RTBURBONSA-N 375.428 3.845 0 40 GHAB CSc1ncc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)n1-c1ccccc1 12580293 XWVVQXDLBKQOBL-MRXNPFEDSA-N 395.484 3.506 0 40 GHAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(CN2CCCC[C@@H]2C)cc1 109036286 PVPLCQFSDIZFKO-HOTGVXAUSA-N 385.533 3.880 0 40 GHAB COc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)cc(OC)c1OC 12506247 HVLHVOBPJLFRED-UHFFFAOYSA-N 392.358 3.814 0 40 GHAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc(Nc2ccccc2)cc1 102914334 OAANFYHCKILWMF-BGYRXZFFSA-N 391.471 3.934 0 40 GHAB CCOc1cc2c(cc1OCC)CN(C(=O)[C@@H]1COc3ccccc3C1)CC2 24355210 DEZVGKQJPRXCOJ-IBGZPJMESA-N 381.472 3.620 0 40 GHAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 1282755 WQLHVMKRKFRTFK-UHFFFAOYSA-N 380.260 3.700 0 40 GHAB Cc1cc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c2c(C)nn(C)c2n1 25154580 LERSMTIKUNDOHF-UHFFFAOYSA-N 389.415 3.683 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2C)c(-c2ccc(F)cc2)n1 57508821 XUJDVJOLUQFENJ-UHFFFAOYSA-N 383.398 3.698 0 40 GHAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(COc2cccc(F)c2)c1 58166725 XQZOGRAWQLORLO-OAHLLOKOSA-N 385.439 3.537 0 40 GHAB CC[C@@H](C(=O)N[C@H](CC)c1ccc(C)cc1)N(c1ccccc1)S(C)(=O)=O 20483270 OQJKZOZNIXZLHH-UXHICEINSA-N 388.533 3.807 0 40 GHAB CCCCOCCCNC(=O)[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 58330796 KRHSBOCFVMJOMW-HXUWFJFHSA-N 399.535 3.877 0 40 GHAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1csc(-c2ccccc2)n1 3366583 HQKUMPNREOIIBY-NRFANRHFSA-N 391.452 3.540 0 40 GHAB CCOC(=O)c1c(N)n(CCc2ccccc2OC)c2nc3ccccc3nc12 2288549 PGFKZHTWBVEJSZ-UHFFFAOYSA-N 390.443 3.595 0 40 GHAB CCc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)cc1 12757839 SOQPWSXAKLHNSM-UHFFFAOYSA-N 382.489 3.644 0 40 GHAB CCc1nc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2s1 22255048 DBKCAVAYQWNRPO-UHFFFAOYSA-N 378.475 3.677 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCCN(c2nccs2)CC1 60099608 HCISDOBRMCFMSV-CQSZACIVSA-N 378.929 3.644 0 40 GHAB CC(C)CC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 408627681 NAOTWLANURLFSN-LLVKDONJSA-N 395.594 3.857 0 40 GHAB COc1ccc(Br)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2F)c1 3411772 WTAHOXALJFSCEJ-JTQLQIEISA-N 396.212 3.781 0 40 GHAB CCOC(=O)c1sc(NC(=O)CN(C)[C@H](C)c2ccc(OC)cc2)cc1C 12911261 DXCQFPQBUFGOAC-CQSZACIVSA-N 390.505 3.873 0 40 GHAB CN(C)[C@@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)Cc1ccccc1 13018597 LRPKUEJNSIYFDW-OAQYLSRUSA-N 388.515 3.652 0 40 GHAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cc3ccccc3o2)C[C@H](C)O1 13011803 NGTFGTCVSNBNCT-GJZGRUSLSA-N 378.428 3.935 0 40 GHAB C[C@@H](C(=O)N1CCCC1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 6043763 DXCOVXIXSICLHC-AOMKIAJQSA-N 387.483 3.734 0 40 GHAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 5215505 ZXVCFMVHYPOKLV-UZLBHIALSA-N 391.423 3.526 0 40 GHAB COc1cc(NC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)cc(OC)c1 5347612 KVUXNSOLLLLDNQ-UHFFFAOYSA-N 397.427 3.699 0 40 GHAB COc1ccc(OCc2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)cc1 5348421 CEIGFASGCWBURV-UHFFFAOYSA-N 396.472 3.778 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 14165076 SOAVVSYCWMEMDA-UZLBHIALSA-N 392.565 3.948 0 40 GHAB CC(C)(C)c1ccc(C(=O)Oc2ccc([C@H]3N[C@@H](C(=O)O)CS3)cc2)cc1 4572009 WHVNNPAYVMRTLJ-MSOLQXFVSA-N 385.485 3.992 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3cc(C)cc(C)c3)n2)cc1OC 14247410 YQXJEDXEBZVUKT-UHFFFAOYSA-N 381.432 3.942 0 40 GHAB O=C(NC1(c2cccc(Br)c2)CCOCC1)c1cc(C2CC2)on1 65936202 BXDPOCXEYYMPKX-UHFFFAOYSA-N 391.265 3.750 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2C)c1 4735963 MJICCDLDPGXPFE-UHFFFAOYSA-N 388.880 3.875 0 40 GHAB COC(=O)c1sccc1NC(=S)N1CCN(c2cccc(Cl)c2)CC1 4767819 IPDFDUSZFWUPBM-UHFFFAOYSA-N 395.937 3.707 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)NC3CCCCC3)n2C)c(C)c1 4816224 AFFHKPFDYUYXLG-UHFFFAOYSA-N 388.537 3.552 0 40 GHAB Cc1cc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c2ccccc2n1 15174992 CDVKVSMAKWESCV-UHFFFAOYSA-N 387.483 3.712 0 40 GHAB CN(Cc1ccccc1)C(=O)COC(=O)COc1ccc(Cl)cc1Cl 4965044 XJWIKOXHLPDMCN-UHFFFAOYSA-N 382.243 3.574 0 40 GHAB Cc1cccc(S(=O)(=O)c2cnc(N(Cc3ccccc3)C(C)C)nc2N)c1 67336351 CMNVDXFYLJOCLF-UHFFFAOYSA-N 396.516 3.615 0 40 GHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCc2ccco2)cc1 7990620 DNLAHNNXGWJUDY-UHFFFAOYSA-N 398.484 3.672 0 40 GHAB CCn1c(SCc2ccc(OC)c(OC)c2)nnc(Nc2ccccc2)c1=O 28538267 JWJAIMFIZKOQSV-UHFFFAOYSA-N 398.488 3.711 0 40 GHAB COc1ccccc1[C@@H](C)N1CCN(C(=O)c2ncoc2-c2ccccc2)CC1 95958363 NPBQROMFIOXYKX-QGZVFWFLSA-N 391.471 3.869 0 40 GHAB Cn1c(=O)oc2c(C(=O)Nc3cc(CC4CC4)nn3-c3ccccc3)cccc21 95975773 AYYQMCWVULTACM-UHFFFAOYSA-N 388.427 3.522 0 40 GHAB C[C@H](C(=O)NC1CCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 113940409 IVZZGCOIIXFGCL-LLVKDONJSA-N 393.336 3.597 0 40 GHAB COc1cc(CN(CCN(C)C)Cc2cccnc2)ccc1OC1CCCC1 22931651 KVIYKKVOXKDVRJ-UHFFFAOYSA-N 383.536 3.975 0 40 GHAB Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(NCCCN2CCOCC2)c1C 26440419 PMVDMFNUSONTDN-UHFFFAOYSA-N 397.498 3.595 0 40 GHAB Brc1nc(Br)n(Cc2ccccc2Br)n1 67799421 AXNPVPCAVDANKO-UHFFFAOYSA-N 395.880 3.614 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1NC(=O)CC 408697139 HWNUECIZOPQALO-UHFFFAOYSA-N 376.478 3.851 0 40 GHAB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O 409139671 CUHGSOVFPALIJZ-CXUHLZMHSA-N 387.388 3.526 0 40 GHAB COc1cc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc(S(C)(=O)=O)c1 557676123 BWQLRVSIYUFISG-MDASCCDHSA-N 397.537 3.515 0 40 GHAB CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1c1nc(C(=O)O)co1 564658916 MMVCQVRIYIIBPN-INIZCTEOSA-N 377.872 3.763 0 40 GHAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCC1=CCCCC1 217453116 FVOLDIAQASCSSQ-UHFFFAOYSA-N 380.510 3.766 0 40 GHAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCSCC2)C12CCCC2 71283708 QJJOMYKZUGIMEB-LJQANCHMSA-N 386.561 3.770 0 40 GHAB Cn1cc(C(=O)NCCn2ccc3ccc(Cl)cc32)c2ccccc2c1=O 71285359 BOSYROSMGJLJQK-UHFFFAOYSA-N 379.847 3.577 0 40 GHAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NS(=O)(=O)c1cccs1 32501702 KRHRQGDLWATSMD-UHFFFAOYSA-N 399.444 3.677 0 40 GHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCCOC 44904838 QFQWRVBLSCRFPE-GOSISDBHSA-N 390.867 3.512 0 40 GHAB Cc1cc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1F 224539896 ASONJPVJWSKMAX-UHFFFAOYSA-N 376.497 3.599 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(Cl)c1 222983569 XWFUMGRWKXHCPW-CQSZACIVSA-N 376.859 3.575 0 40 GHAB CCOc1ccccc1NC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 44036103 IAJUFEHFBCJPLB-UHFFFAOYSA-N 395.381 3.950 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1 223768064 WVBWUAMCGJAZGY-INIZCTEOSA-N 388.895 3.581 0 40 GHAB CCOC(=O)C[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 142176723 ITJFHKXUPMPBRQ-CQSZACIVSA-N 386.286 3.838 0 40 GHAB Cc1ccc([C@@H](NC(=O)CN2CCC3(CCCN3C)CC2)c2cccs2)cc1 95459821 XCDXHHXVIUYZQD-JOCHJYFZSA-N 397.588 3.822 0 40 GHAB O=C(Nc1ccc(F)cc1F)N1C[C@H](OCc2nc3ccccc3[nH]2)[C@H](F)C1 96112031 NUPMBGSZISUCBZ-DYVFJYSZSA-N 390.365 3.612 0 40 GHAB biogenic,in-vitro O=S(=O)(c1ccccc1)N1CC[C@@]2(CCCN2Cc2ccccc2Cl)C1 96071033 KANNKLRQHDHYEK-FQEVSTJZSA-N 390.936 3.769 0 40 GHAB Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N(C)Cc1cn2c(n1)CCCC2)CC3 581406189 QIFINCGHAMJWDX-MRXNPFEDSA-N 391.519 3.708 0 40 GHAB COC(=O)CNC(=O)C1(Cc2ccc(-c3cc(C)cc(C)c3)cc2)CCOCC1 257233260 GOMOWTMFGXLXCC-UHFFFAOYSA-N 395.499 3.599 0 40 GHAB C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1Cc1ncccc1C(=O)O 629378412 SCIHCHFEKPRVSD-TZMCWYRMSA-N 375.266 3.920 0 40 GHAB CC(C)(C)N1CC[C@H](NC(=O)NCc2nc(-c3ccccc3F)cs2)C1 661086796 HXFIWSMMTKEDTR-ZDUSSCGKSA-N 376.501 3.621 0 40 GHAB CCN1CCO[C@@H](CNC(=O)Nc2cc(F)cc(F)c2F)[C@@H]1c1ccccc1 667135903 MOJLJZBCXYTCSB-HKUYNNGSSA-N 393.409 3.687 0 40 GHAB O=C(NC1CCN(CC2CCCCC2)CC1)[C@H]1Cc2cc(Cl)ccc2O1 65917652 URBGOJSNOGIMFZ-HXUWFJFHSA-N 376.928 3.804 0 40 GHAB COc1ccccc1CN1CCC[C@H](COc2ncc(Br)cn2)C1 1776009370 XSXGXZBVWFOOOE-AWEZNQCLSA-N 392.297 3.539 0 40 GHAB Cc1cc(Br)c(S(=O)(=O)N2CCCCC2)cc1Br 96305690 YNVMKZCYVHRCCS-UHFFFAOYSA-N 397.132 3.695 0 40 GHAB CN1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)C[C@H]1c1nccn1C 548341539 YNWVLSYESLRLHI-ZDUSSCGKSA-N 383.830 3.532 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)c(O)n1 1615158445 MSUVRFOETHEINO-OALUTQOASA-N 383.467 3.897 0 40 GHAB Cn1ncc(Cl)c1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615159085 SSQHZICGLJPZCD-FQEVSTJZSA-N 390.890 3.876 0 40 GHAB Cc1cc2n(n1)C1(CCN(Cc3ccc(C(F)(F)F)cc3)CC1)CC(=O)N2C 1772596197 UIOFJYWSWYDDRO-UHFFFAOYSA-N 392.425 3.568 0 40 GHAB c1csc(-c2ccc(N3CCN(c4nc5cnccc5s4)CC3)nn2)c1 1775977117 GBXQWBOHLSCMDQ-UHFFFAOYSA-N 380.502 3.536 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1C 5443669 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PVVSWXALOJLMIS-UHFFFAOYSA-N 386.883 3.807 0 40 GHAB COc1ccc2ccc(OC)c(/C=c3\sc4nc5ccccc5n4c3=O)c2c1 168978090 SLTIGOQTKWFCBK-NDENLUEZSA-N 388.448 3.627 0 40 GHAB Cc1cc(C)c2nc3s/c(=C/c4ccc(Br)cc4)c(=O)n3c2c1 4499020 HLGOOJWTQWEDGM-OQLLNIDSSA-N 385.286 3.836 0 40 GHAB Cn1ncc2c1CC(C)(C)CN(C(=O)NCc1ccc(Br)s1)C2 663171641 WRTKNJZOHVPRAS-UHFFFAOYSA-N 397.342 3.538 0 40 GHAB COc1cc(C(=O)N2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc(OC)c1OC 19549513 YATYXWJGDQSRGK-HNNXBMFYSA-N 395.459 3.609 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cc2ccccc2cc1O 3513340 UHQNXNNJHPQAJY-MRXNPFEDSA-N 377.440 3.840 0 40 GHAB CC1=C(C(N)=O)[C@H](c2ccc(F)cc2)n2nc(-c3cccc(Cl)c3)nc2N1 4574551 JDRZHFCVDJXNLF-INIZCTEOSA-N 383.814 3.512 0 40 GHAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 5558358 HONPVYRGNPHAMC-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCCCC4)cc3)CC2=O)cc1 5614052 BGXXKKMUXKTMSX-SFHVURJKSA-N 377.488 3.977 0 40 GHAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)N1CCCC1 5627244 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ZNTOHNBDYQJFAK-GOSISDBHSA-N 377.893 3.650 0 40 GHAB Cn1nccc1-c1cncc(CNC(=O)c2ccc(Oc3nccs3)cc2)c1 575614872 AALJDVWQJLRVJX-UHFFFAOYSA-N 391.456 3.661 0 40 GHAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)CSc3c[nH]c4ccccc34)C2)n1 575613797 UNXLACBBMPDBAI-INIZCTEOSA-N 396.516 3.737 0 40 GHAB O=C(Nc1ccc2[nH]ncc2c1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 40071692 VLOKANFUFFUUMH-UHFFFAOYSA-N 396.406 3.611 0 40 GHAB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)n1nc(-c2ccc(C)cc2)ccc1=O 20095425 HLPRFGPBBUORCN-GOSISDBHSA-N 391.427 3.537 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(O)cc1 886681 DYKZFKNYWYDTBP-UHFFFAOYSA-N 396.472 3.604 0 40 GHAB CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc(C(C)=O)c1C 1102478 KHASSUUFWVZRJK-UHFFFAOYSA-N 379.409 3.592 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C[C@H]2CCCO2)c(C)c1 1364600 JIXDGUIZPFMSBA-MRXNPFEDSA-N 386.521 3.682 0 40 GHAB COc1ccc(C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)cc1 1776587 MCDZJWXLFWUNHA-UHFFFAOYSA-N 377.396 3.639 0 40 GHAB biogenic Nn1c(SCC(=O)c2cccs2)nc2sc(-c3ccccc3)cc2c1=O 2181058 GRNDEHPLKSRFBV-UHFFFAOYSA-N 399.522 3.875 0 40 GHAB COCCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2ccccc21 2622900 WMOQYLYZXRVQAX-UHFFFAOYSA-N 377.416 3.692 0 40 GHAB CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nnc1-c1cccs1 2624123 MJDMKKSTXXMPPS-UHFFFAOYSA-N 383.502 3.635 0 40 GHAB C[C@@H]1CCCN(C(=O)CSc2nc(N)c3c4c(sc3n2)CCCCC4)C1 2645099 AWWWTZQJPUQNIL-GFCCVEGCSA-N 390.578 3.893 0 40 GHAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCCCCC2)c1 3208991 LRJZCJHGYKWBIK-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB Cc1ccccc1C(=O)N[C@H](C(=O)OCC(=O)c1ccc(Cl)s1)C(C)C 3411626 VSMQNQSAMNWBPN-KRWDZBQOSA-N 393.892 3.890 0 40 GHAB COc1cccc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c1 3424333 IWGLMZNQDGNFCR-CMDGGOBGSA-N 394.427 3.838 0 40 GHAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(OC(F)F)cc2)NC(=O)N1 4269766 VARSZOMMMDEHIM-QGZVFWFLSA-N 388.370 3.659 0 40 GHAB C[C@H](CO)CCC(=O)[C@H](C)[C@@H]1C(=O)C[C@H]2C[C@H]3C[C@@H](O)CC[C@@]3(C)C[C@]12C 5339493 WJLCVMWHBASUOP-ZANRXYSJSA-N 378.553 3.773 0 40 GHAB COc1cc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc(Cl)c1OC 5429747 QWKPOZVXDCPVBW-UHFFFAOYSA-N 390.775 3.526 0 40 GHAB NC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1 5478445 OQSGJVWLIADUNY-UHFFFAOYSA-N 379.272 3.819 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1nnc2ccccn12 5484349 RKSWVYLLVXHNSA-QWRGUYRKSA-N 379.247 3.681 0 40 GHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1 6237633 ULTNJGPOVWVAJK-HUUCEWRRSA-N 390.480 3.745 0 40 GHAB Cc1cc(I)ccc1NC(=O)c1ccc2c(c1)OCO2 6268370 PGAXSQVQPSYLFX-UHFFFAOYSA-N 381.169 3.581 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(I)c2)cc1 6315384 ONKMKPCZHOICMC-UHFFFAOYSA-N 387.242 3.709 0 40 GHAB COc1cc(Cl)ccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccs1 6529677 WFFUZQJUSYZUPH-OAHLLOKOSA-N 393.921 3.842 0 40 GHAB CN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)NC2CCCCC2)c1 6680991 IKNFIBQTTQSDCN-UHFFFAOYSA-N 392.546 3.631 0 40 GHAB COc1cc(OC)cc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 6790001 SWWDZVDZKCCXAI-OAQYLSRUSA-N 385.460 3.992 0 40 GHAB CCOc1ccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 6876338 SYERNXMAPIMOFU-UHFFFAOYSA-N 396.399 3.624 0 40 GHAB COc1ccc(C(=O)[C@H](C)OC(=O)CCc2nc(-c3cccs3)no2)cc1 7316756 PTACFQPADATJAB-LBPRGKRZSA-N 386.429 3.554 0 40 GHAB COc1cccc(NC(=O)COc2ccc(C(=O)Nn3c(C)ccc3C)cc2)c1 7338020 XMLHGQHATILRHD-UHFFFAOYSA-N 393.443 3.515 0 40 GHAB COc1ccc2cc(CN(C)C(=O)CN3CCC[C@@H]3c3cccn3C)ccc2c1 7855583 LBYKCXBTOLYWST-HSZRJFAPSA-N 391.515 3.982 0 40 GHAB CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 8031634 RBCXZQHHKGQOQH-OAHLLOKOSA-N 397.450 3.718 0 40 GHAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N(c1ccccc1)S(C)(=O)=O 8224181 DBBJPOPTOGUPSD-LLVKDONJSA-N 387.288 3.787 0 40 GHAB Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1ccc(Cl)cc1 8974272 LLNZYSYVHHADPE-UHFFFAOYSA-N 394.906 3.649 0 40 GHAB O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 9036444 ZMMYIAMMWKJZQH-UHFFFAOYSA-N 378.403 3.798 0 40 GHAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OC 9063881 VSBXLFHWRSBQAV-UHFFFAOYSA-N 396.896 3.598 0 40 GHAB COC(=O)c1cccc(CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)c1 9585605 BOXKBVPRIHKORN-QHCPKHFHSA-N 388.423 3.594 0 40 GHAB CCOc1ccc(CCC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 10675685 GBOVHYYWKAMLFX-UHFFFAOYSA-N 392.521 3.724 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(N4CCCCC4)cc3)cnc12 10742205 DBYKJJQXBTYCNH-UHFFFAOYSA-N 390.487 3.724 0 40 GHAB CC(=O)c1ccccc1NC(=O)CN(C)Cc1ccccc1N1CCCCC1 12587123 DSUVSKHDAROJPL-UHFFFAOYSA-N 379.504 3.950 0 40 GHAB O=C(COc1ccccc1C(=O)N1CCCCC1)NCc1cccc(Cl)c1 12621966 FKOLEWZNUFTBOG-UHFFFAOYSA-N 386.879 3.661 0 40 GHAB COc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c1 12815610 COLOTIHMBFHISD-KRWDZBQOSA-N 396.306 3.984 0 40 GHAB CCCCN(C(=O)Cc1c(C)nc2nc(SC)nn2c1C)c1ccccc1 12893981 OVLGXKHCJDRKHF-UHFFFAOYSA-N 383.521 3.839 0 40 GHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 12974552 BENJOGPTMPKBHJ-UHFFFAOYSA-N 399.878 3.783 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1ccc(F)cc1 13012821 CEDHAVWQBJWKBN-UHFFFAOYSA-N 382.407 3.683 0 40 GHAB CCCCOc1ccccc1/C=c1\sc2nc(-c3cccc(C)c3)nn2c1=O 13757878 KAYLQHBDABLLMP-RGEXLXHISA-N 391.496 3.853 0 40 GHAB COc1ccccc1[C@H]1CC(=O)c2cnc3[nH]n(-c4ccccc4)c(=O)c3c2C1 14163920 XWGRCJNQOPVJLE-CQSZACIVSA-N 385.423 3.635 0 40 GHAB CC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 14189591 QGICGSFHFRAYTP-OWCLPIDISA-N 387.553 3.771 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccccc3F)sc2c1 16321511 MSHIOYXXFYGATJ-UHFFFAOYSA-N 388.449 3.521 0 40 GHAB CCn1cc([C@@H](NC(=O)c2ccc(O)nc2)c2ccc(F)cc2)c2ccncc21 19524839 XUPZHKRJOCWDKE-NRFANRHFSA-N 390.418 3.815 0 40 GHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C3 19816581 RXJQRTQKULBDAK-ZDUSSCGKSA-N 398.488 3.556 0 40 GHAB CN(C)[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccco1 21309209 LPFLEVTVOBMQPO-OAQYLSRUSA-N 386.455 3.923 0 40 GHAB COC(=O)c1ccc(F)c(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 26501908 YZPVAXOKKGETHN-UHFFFAOYSA-N 395.346 3.969 0 40 GHAB Cc1ccc2[nH]cc(CCNc3nc(=O)c(Cc4ccccc4Cl)n[nH]3)c2c1 27526528 YWFRUUQHVDVDRV-UHFFFAOYSA-N 393.878 3.853 0 40 GHAB COc1ccc2c(CC(=O)N[C@H](CN3CCCC3)c3ccccc3)coc2c1 29177861 RZHAZBGNDGROCH-OAQYLSRUSA-N 378.472 3.937 0 40 GHAB CCOc1c(Cl)cc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1OC 30029501 BGWTWWSRKCIAMY-SFHVURJKSA-N 388.895 3.876 0 40 GHAB O=C(c1cncc(Br)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 31176132 GVHAAPZUJRWCNP-UHFFFAOYSA-N 385.265 3.740 0 40 GHAB Cn1c(CSc2nc(NC3CC3)c3ccccc3n2)nc2ccccc2c1=O 31785342 HOUCWUANJDDYHJ-UHFFFAOYSA-N 389.484 3.743 0 40 GHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)Cc1ccc2c(c1)CCC2 32674247 BHBYCEGJAOZQEB-UHFFFAOYSA-N 380.488 3.604 0 40 GHAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(c2nnc3ccccn23)CC1 32760096 AAXKWZCITXNJME-UHFFFAOYSA-N 379.851 3.884 0 40 GHAB COc1ccc(CSCCC(=O)Nc2ccc3c(c2)OCCO3)cc1F 32778708 XSOOTIJHQWIPJR-UHFFFAOYSA-N 377.437 3.868 0 40 GHAB COCCn1nc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1=O 32784269 CUUYDYWQDBUPDL-UHFFFAOYSA-N 399.834 3.588 0 40 GHAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)cc1 32962529 KUHSBZJVOQGXTQ-UHFFFAOYSA-N 375.428 3.507 0 40 GHAB CN(C)c1ccc(NC(=O)CCCNC(=O)c2ccsc2)c(C(F)(F)F)c1 33177079 GWCTVPHEHMBURV-UHFFFAOYSA-N 399.438 3.982 0 40 GHAB Cc1ccn2c(=O)cc(COc3cccc(NC(=O)c4ccccc4)c3)nc2c1 33268603 MCEGLKVJPKXFRQ-UHFFFAOYSA-N 385.423 3.834 0 40 GHAB CCC(=O)N(Cc1cccnc1)Cc1cc2cc3c(cc2nc1Cl)OCO3 35312153 OXALJSMGAXTQNN-UHFFFAOYSA-N 383.835 3.951 0 40 GHAB Cn1c(=O)c2sccc2n2c(SCc3c(F)cccc3Cl)nnc12 35529199 KIZPETURFXPGGR-UHFFFAOYSA-N 380.857 3.728 0 40 GHAB C[C@@H](OCCCNC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 36396695 OQFLRHDXQFNJPH-GOSISDBHSA-N 385.483 3.825 0 40 GHAB CCOc1cc(S(=O)(=O)NC2CCCCCC2)ccc1Br 41095400 BWTNEWXRESLSAJ-UHFFFAOYSA-N 376.316 3.849 0 40 GHAB O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)C1(c2ccc(F)cc2)CCCC1 42039444 WYGXPCNKZAPNQN-GOSISDBHSA-N 387.476 3.672 0 40 GHAB Cc1nc(C2(NC(=O)c3cnn(-c4ccc(F)cc4)c3C)CCCCC2)no1 45235649 HKQCLCHRKSZVAP-UHFFFAOYSA-N 383.427 3.601 0 40 GHAB O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078775 AUDMBLJHCAPYMC-IBGZPJMESA-N 398.890 3.842 0 40 GHAB CC(C)N(C)CCCCNS(=O)(=O)c1ccc(SC(F)(F)F)cc1 48374129 BBOPRHPWHNLIRG-UHFFFAOYSA-N 384.489 3.697 0 40 GHAB COc1ccc(C(=O)Oc2ccc([C@H]3CC(O)=Nc4c3cnn4C)cc2)cc1 49548809 YHWYWOINUHBDTO-QGZVFWFLSA-N 377.400 3.772 0 40 GHAB Cc1ccccc1NC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 50955452 ZSEUDBSCFWLXFM-UHFFFAOYSA-N 376.386 3.532 0 40 GHAB O=c1[nH]nc(SCCCSc2ccccc2Cl)n1C[C@@H]1CCCO1 57745290 OOYCGNVUHYSXPN-LBPRGKRZSA-N 385.942 3.678 0 40 GHAB O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1C[C@@H]1c1ccccc1Cl 58402663 QNSKNYSXEAPMAK-SJORKVTESA-N 375.827 3.808 0 40 GHAB CN(Cc1cnn(-c2cccc(Cl)c2)c1)C(=O)[C@@H]1COc2ccccc2C1 65552110 DMTTVJKLSDAUEZ-KRWDZBQOSA-N 381.863 3.735 0 40 GHAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)/C=C/c1cccc(Br)c1 66578759 QDNLSGSMHCNRMU-BQYQJAHWSA-N 396.262 3.868 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 71817213 UEUGAPJVFUTZAY-MRXNPFEDSA-N 379.199 3.854 0 40 GHAB CC[C@@H](NC(=O)Nc1cccc(NC(=O)C(C)C)c1)c1nnc2n1CCCCC2 79019550 PIFAXOUWFPSGHN-QGZVFWFLSA-N 398.511 3.872 0 40 GHAB CCCCNC(=O)CN1C[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 79024506 YXMLQMBEPHFJRD-SFHVURJKSA-N 379.504 3.592 0 40 GHAB CCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 79108220 UAHIUGWZCVTSSY-IBGZPJMESA-N 398.528 3.906 0 40 GHAB O=C(CNc1nc(C2CC2)nc2sc3c(c12)CCCC3)Nc1ccccn1 79111733 VZBCQTYVMWVSAC-UHFFFAOYSA-N 379.489 3.893 0 40 GHAB CC(=O)c1c(F)cccc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 83815620 MRXYRAUDYDDONT-ZDUSSCGKSA-N 375.831 3.932 0 40 GHAB Cc1cccn2c(CN3CCC[C@@H](CNC(=O)Nc4cccc(F)c4)C3)cnc12 92709003 BSRROKBRYAARFA-KRWDZBQOSA-N 395.482 3.816 0 40 GHAB CC(=O)c1ccc(OCC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1 95397780 TUVDDFBCQQMWKD-KRWDZBQOSA-N 380.488 3.610 0 40 GHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 95482452 DLTVIZJEWFZYNY-SFHVURJKSA-N 381.432 3.527 0 40 GHAB COc1cc(C2(C(=O)Nc3cccc(N4CCNC4=O)c3)CCCC2)ccc1C 95953396 OPCVPRSKWNWUKR-UHFFFAOYSA-N 393.487 3.984 0 40 GHAB COc1ccnc(C(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)c1 95959974 PUIRVOAGDDCWKA-GFCCVEGCSA-N 396.472 3.663 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)cc1OC 96116039 ASXKVLJMWNZZFR-UHFFFAOYSA-N 395.459 3.566 0 40 GHAB biogenic Cc1cccc(OC2CCN(C(=O)c3ccccc3Br)CC2)n1 96119491 BPCDEUMSLXEIKD-UHFFFAOYSA-N 375.266 3.836 0 40 GHAB CS(=O)(=O)c1cccc(OCCN[C@H]2CCC[C@H]2c2ccc(F)cc2)c1 97141106 KXYPXRFWYPCBLP-PMACEKPBSA-N 377.481 3.534 0 40 GHAB Cc1cc2nc3c(c(O)n2n1)C[C@H]1CC[C@@H](C3)N1Cc1ccc(Cl)c(F)c1 100731767 ALFNEIFVVKTJIC-KGLIPLIRSA-N 386.858 3.668 0 40 GHAB CC1(C)CC(O)CC(C)(C)N1C[C@@H](O)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102579322 LVHVVULBVCVEDK-QQSSDERHSA-N 381.601 3.983 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c(C)c2c1 103244300 JFVXXFIRLHPRNA-LDDOYCOJSA-N 385.460 3.848 0 40 GHAB C[C@@H](NC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc(-n2ccnc2)cc1 103448977 CMSKGJNSIIRYAU-WYHNVWNDSA-N 379.504 3.771 0 40 GHAB COc1ccccc1CCN(C)C(=O)NCc1ccc(CN2CCCC2)cc1 105091381 QEQOETQSYDRWCJ-UHFFFAOYSA-N 381.520 3.675 0 40 GHAB O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)C1(c2ccc(Cl)cc2)CCCC1 107542745 LFLYVYAJCOCPJT-RBUKOAKNSA-N 376.928 3.521 0 40 GHAB CCOC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 113874759 PJPYFIPGPSPYQG-UHFFFAOYSA-N 388.272 3.752 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCc1nc(-c2ccccc2Cl)no1 169884513 XNYOLOKUTHZALS-UHFFFAOYSA-N 398.271 3.663 0 40 GHAB CCCC[Sn]1(CCCC)OC[C@H](CN2CCCC2)O1 195998165 BCFRNVBTEWLIOQ-QTPLPEIMSA-N 376.129 3.540 0 40 GHAB O=C(CSc1ccc(F)cc1)NCc1nn(C2CCCC2)c2c1COCC2 206753441 IZDIYFOUUHATEA-UHFFFAOYSA-N 389.496 3.619 0 40 GHAB Cc1ccc(OCCNC(=O)COc2cc(C)c(Br)c(C)c2)cc1 218840670 XHJWZQBUELLHFI-UHFFFAOYSA-N 392.293 3.948 0 40 GHAB COc1ccccc1S(=O)(=O)N1CCS[C@H](c2ccccc2C)CC1 219302876 WMDSHGUCZCHVOE-SFHVURJKSA-N 377.531 3.873 0 40 GHAB CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220475311 YSYAEHNHTQCVAB-AWEZNQCLSA-N 392.496 3.744 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 222805833 YAULAPDTBUPEOP-KRWDZBQOSA-N 396.512 3.619 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(Cl)cc21 223362758 BLYNQMCIYKQQDF-UHFFFAOYSA-N 387.244 3.722 0 40 GHAB CCC(CC)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224179174 CACNFQKNXHXSAZ-UHFFFAOYSA-N 378.469 3.569 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1Cl 224856504 AMGAPHNBTHLILR-UHFFFAOYSA-N 397.880 3.943 0 40 GHAB O=C(NCCCc1ccc(F)cc1)c1cccc(I)c1 224964243 UTWQNJMWLUYCEQ-UHFFFAOYSA-N 383.204 3.793 0 40 GHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C[C@@H]2CCCO2)N1C1CCCC1 225011361 LAQGTDPNPPUPNI-DZFGPLHGSA-N 396.560 3.977 0 40 GHAB CCn1c(=O)sc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21 225099189 AKBGZUKCNFGWKJ-UHFFFAOYSA-N 382.894 3.678 0 40 GHAB CC[C@@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(S(C)(=O)=O)cc1 225724353 BVNVLILCMNVKSI-MRXNPFEDSA-N 384.473 3.806 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc21 225726988 FZDGXAICOKMMRW-UHFFFAOYSA-N 384.429 3.552 0 40 GHAB O=C(NCc1ccc(F)cc1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225735642 NZCRUTYBZNXTLR-HNNXBMFYSA-N 383.345 3.602 0 40 GHAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(N)=O)cc1 225741748 VHXSHVYEWVUISH-UHFFFAOYSA-N 378.513 3.747 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 238900913 RMCRNFCDDPOJMV-IRXDYDNUSA-N 383.835 3.755 0 40 GHAB Cc1nc(Nc2cccc([C@H]3CN(Cc4cnn(C)c4C)CCO3)n2)sc1C 257205852 BAVXQOGJXZPYSB-GOSISDBHSA-N 398.536 3.514 0 40 GHAB Cc1cc(OC2CCN(C(=O)c3cccc(OC(F)(F)F)c3)CC2)nc(C)n1 390826061 AONLUSJAXYXOND-UHFFFAOYSA-N 395.381 3.676 0 40 GHAB CCCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2Cl)CC1 408629270 UEJZYKONXXGASA-UHFFFAOYSA-N 399.922 3.970 0 40 GHAB CCCSC1=NC(C)=C(C(=O)OCC)[C@@H](c2ccc(OC)cc2OC)N1 408990990 PGXPWIIPTDQKIS-QGZVFWFLSA-N 378.494 3.684 0 40 GHAB O=C(CSCc1ccccc1)N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F 409356024 DPNOENHIWAFDMS-YOEHRIQHSA-N 386.439 3.949 0 40 GHAB COc1cccc(N2CC[C@H](CNC(=O)NCc3ccc4occc4c3)C2)c1 660545293 SFRIDUSUWOVQOB-QGZVFWFLSA-N 379.460 3.767 0 40 GHAB CCn1cnc2c(N[C@@H]3CCCCCN(C(=O)[C@H](C)CC(C)C)C3)ncnc21 1615610093 AEDYLADRLKLSMJ-IAGOWNOFSA-N 386.544 3.712 0 40 GHAB CC(C)(C)[C@H]1CCc2c(sc3ncn(CC(=O)N4CCCCC4)c(=O)c23)C1 938362 YLAIORSEODKPJL-AWEZNQCLSA-N 387.549 3.622 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1 938886 KACVECNMTOXIRW-IBGZPJMESA-N 375.432 3.604 0 40 GHAB COC(=O)c1ccc(NCN2C(=O)S/C(=C\c3ccc(C)cc3)C2=O)cc1 1013709 QOGFZMYGCHXMFV-BOPFTXTBSA-N 382.441 3.888 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1ccccc1 1320566 IASWUVJCVIWCGC-QHCPKHFHSA-N 375.399 3.833 0 40 GHAB Cc1ccccc1OCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 2620254 QOTPNQVROCQRNB-UHFFFAOYSA-N 386.451 3.869 0 40 GHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3314338 ADXHAHDOHXGQCJ-FQEVSTJZSA-N 387.483 3.930 0 40 GHAB CCc1ccc(C(=O)[C@H](C)OC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1 3367260 AFNJVWUJFJKDLI-FPTDNZKUSA-N 395.480 3.992 0 40 GHAB COc1ccc(CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)cc1F 3516692 CRVRVNVPSCKDDA-JOCHJYFZSA-N 378.403 3.955 0 40 GHAB COc1ccc(C(=O)OCC(=O)c2ccc(Br)s2)c(OC)c1 3529762 ZVKFJXYWVMBYRC-UHFFFAOYSA-N 385.235 3.568 0 40 GHAB COc1ccc(C(=O)NCc2nnc(SC)n2-c2cccc(C)c2C)cc1 4059382 WEOBSGSPORYMEO-UHFFFAOYSA-N 382.489 3.545 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@]31C 4073747 MTNGSRXQGIGWTB-NRFANRHFSA-N 379.391 3.556 0 40 GHAB biogenic COc1ccc(C2(CNC[C@@H]3COc4ccccc4O3)CCCC2)cc1OC 4811824 NYFRQZLEPZJASO-GOSISDBHSA-N 383.488 3.945 0 40 GHAB O=C(Nc1ccccc1)NC1(C(=O)NCc2ccc3c(c2)OCO3)CCCCC1 4965394 WSIIXULBOAFCNO-UHFFFAOYSA-N 395.459 3.556 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2C)c2ccc(Cl)cc21 4988089 OADDMQVHHDLRIM-OAQYLSRUSA-N 387.863 3.631 0 40 GHAB CCOc1ccccc1C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1 5392495 KUTVXAXQJCKLJN-UHFFFAOYSA-N 388.467 3.721 0 40 GHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ccc(Br)cc1 5861212 KCVMSLNIFHKRIR-UHFFFAOYSA-N 389.249 3.592 0 40 GHAB CSCC[C@H](NC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1)C(=O)O 6759552 GTVDYUJJBBUOKB-UGSOOPFHSA-N 375.465 3.919 0 40 GHAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(OC[C@H]2CCCO2)cc1 6881809 UFCAHIDLNUFYQU-QGZVFWFLSA-N 398.850 3.731 0 40 GHAB COc1cc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc(OC)c1OC 7016142 UZSPINUBOKXNDP-UHFFFAOYSA-N 398.503 3.606 0 40 GHAB NC(=O)C1CCN(C(=S)c2cn(Cc3ccccc3)c3ccccc23)CC1 7095072 ZTRYIUPZDOBKLG-UHFFFAOYSA-N 377.513 3.562 0 40 GHAB Nn1c(CCC2CCCCC2)nnc1SCC(=O)Nc1ccc(F)c(F)c1 7140205 MWWFJZNPZOHPJH-UHFFFAOYSA-N 395.479 3.514 0 40 GHAB O=C(Cc1cccc(F)c1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 7265301 PUAOOWQQZGATNE-UHFFFAOYSA-N 390.480 3.572 0 40 GHAB COc1ccc(-c2nnc([C@@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)cc1 7321629 YGIFUJKXUSQDBT-GFCCVEGCSA-N 382.449 3.653 0 40 GHAB COc1cccc(-c2noc(COC(=O)c3ccc(-n4cccc4)cc3)n2)c1 7373104 AULUQBRWIHOPMY-UHFFFAOYSA-N 375.384 3.893 0 40 GHAB CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(-c3nccs3)c2C)n1 7654554 SIBJZSAIDGZVRU-UHFFFAOYSA-N 388.518 3.561 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cnc(C)cn1)CC2 7979403 ZPGXQAUHSNCCNL-FQEVSTJZSA-N 395.484 3.652 0 40 GHAB CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(C)(C)C 8194531 YGYXDWIJIFRHBP-UHFFFAOYSA-N 383.558 3.548 0 40 GHAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc21 8962388 FIMFTVLTKDUGLX-UHFFFAOYSA-N 378.881 3.748 0 40 GHAB C[C@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1nc2ccccc2s1 10230993 OOERZQNQYULZPV-NSHDSACASA-N 396.501 3.606 0 40 GHAB CCc1ccc(N2C[C@H](c3nc(-c4ccc(OC)c(OC)c4)no3)CC2=O)cc1 10336624 LNNQXLCSXIPMNP-MRXNPFEDSA-N 393.443 3.837 0 40 GHAB CC[C@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1ccc(Cl)cc1 10423642 IBVJDLQBZKGLAY-HNNXBMFYSA-N 387.892 3.757 0 40 GHAB C[C@H](C(=O)N1CCCc2ccccc21)N1c2cccc3cccc(c23)S1(=O)=O 10449604 WGEQCJWRNXIHHJ-OAHLLOKOSA-N 392.480 3.716 0 40 GHAB Cc1c(NC(=O)CCSCc2ccccc2)c(=O)n(-c2ccccc2)n1C 10502062 BZVSVJDRWISHFU-UHFFFAOYSA-N 381.501 3.746 0 40 GHAB C[C@@H](OC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(N(C)C)cc1 11069255 NGXBDLLZPIPFID-CYBMUJFWSA-N 394.393 3.884 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnnn1-c1c(C)cccc1C 11689884 STNIGAFYFSIIEZ-UHFFFAOYSA-N 387.896 3.972 0 40 GHAB COCC(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2onc(C)c2C)cc1 12182254 YZLGNYYJILYOAJ-UHFFFAOYSA-N 394.475 3.801 0 40 GHAB CC(=O)NC1(c2ccccc2F)CCN(Cc2ccc(-n3cccn3)cc2)CC1 12344411 YQNLMJAFTUSGCR-UHFFFAOYSA-N 392.478 3.639 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N(C(=O)NCc1ccco1)c1ccccc1 12376640 QIAZGMCSYZUPEX-PKNBQFBNSA-N 390.395 3.965 0 40 GHAB biogenic,in-vitro COc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)no3)nc12 12422303 ACASBQFWINWODT-UHFFFAOYSA-N 380.429 3.843 0 40 GHAB CCOC(=O)c1ccsc1NC(=O)CN[C@H](c1ccccc1)c1ccccn1 12521985 QFVJDJVXIJZLSG-LJQANCHMSA-N 395.484 3.638 0 40 GHAB Cc1ccc([C@@H](NC(=O)CSc2nncn2-c2ccccc2)C2CC2)cc1 12538664 BQCLBDGTBGPWPS-HXUWFJFHSA-N 378.501 3.935 0 40 GHAB CC(=O)c1ccc(N2CCN(Cn3c(=S)n(C)c4ccccc43)CC2)c(F)c1 12543855 AZEBPRXWXIQYJB-UHFFFAOYSA-N 398.507 3.831 0 40 GHAB Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)cc1Cl 12779200 AJJUUYMLSZHMAD-UHFFFAOYSA-N 391.943 3.702 0 40 GHAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 12787090 UUCNQZASXQCPJL-GFCCVEGCSA-N 380.400 3.845 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccccc3)o2)cc1 12905564 NLQJQZHEQIHEJQ-UHFFFAOYSA-N 377.444 3.680 0 40 GHAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)nc2)cc1 12942649 XXXRBHDPNJDHRJ-YRNVUSSQSA-N 379.504 3.545 0 40 GHAB Cc1cccc(Cc2cnc(NC(=O)Cc3ccc4c(c3)OCCO4)s2)c1 13017463 XCXYFNMZAOZALS-UHFFFAOYSA-N 380.469 3.995 0 40 GHAB O=S(=O)(NCCCn1ccc2ccccc21)c1ccc(OC(F)(F)F)cc1 13040255 AQIURCXWQRGWNH-UHFFFAOYSA-N 398.406 3.909 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@@H]1c1cccc(F)c1 13072226 YTPAZYLUMYZBBX-GOSISDBHSA-N 398.390 3.632 0 40 GHAB Cc1ccnc(NC(=O)c2c(O)n(Cc3ccccc3)c3ccccc3c2=O)c1 13284516 TZBRMOSHZAPWGK-UHFFFAOYSA-N 385.423 3.711 0 40 GHAB CCOc1ccc(OCCCC(=O)N(CCC(=O)O)Cc2ccccc2)cc1 13428939 DAVKORBNORCHBQ-UHFFFAOYSA-N 385.460 3.748 0 40 GHAB COc1ccc(-c2nc(C(=O)OCc3ccc4c(c3)OCO4)cs2)cc1OC 14184079 NYQKGWGCIDTWBU-UHFFFAOYSA-N 399.424 3.913 0 40 GHAB Cc1ccccc1-c1cc(=O)[nH]c(N2CCN(c3ccc(Cl)cc3)CC2)n1 14608490 PMTZYVFUCYTWBV-UHFFFAOYSA-N 380.879 3.725 0 40 GHAB CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCC3)cc2)CC1 17356669 ABOSQKRPHZKZQZ-UHFFFAOYSA-N 378.538 3.512 0 40 GHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccnn1Cc1ccccc1 19207629 ASVFHNSFISUKHY-UHFFFAOYSA-N 396.834 3.522 0 40 GHAB Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccncc2)Cc2ccccc2C)on1 19237142 LLMOEKWHWLSJFO-FYYLOGMGSA-N 377.488 3.946 0 40 GHAB Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)CN2CCCCCC2)c1C 19558148 FMSLTGODFGKPCV-IBGZPJMESA-N 399.539 3.622 0 40 GHAB COc1ccccc1CN1CCC(c2nc(O)cc(-c3cccnc3)n2)CC1 19570158 DZWXHRLFCJISJZ-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB CN1CCN(Cc2ccccc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19589459 KGKWRIIKCHJCSC-XMMPIXPASA-N 385.511 3.882 0 40 GHAB CC(=O)N[C@H]1CN(C)C2(CCN(Cc3ccc(-c4ccccc4)cc3)CC2)C1 19704156 NIZWLXJAEWQOJR-HSZRJFAPSA-N 377.532 3.528 0 40 GHAB O=C(O)c1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)ccc1O 20151984 NJEFOTXVYHYWNK-UHFFFAOYSA-N 385.228 3.524 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc3nc(SCC(N)=O)sc3c2)cc1 20895345 KHQJSRKMCMBOAO-UHFFFAOYSA-N 387.486 3.525 0 40 GHAB COC(=O)c1ccccc1NC(=O)C1=Cc2cc(Br)ccc2OC1 21095724 HJEWBKAZROWBNZ-UHFFFAOYSA-N 388.217 3.650 0 40 GHAB COc1ccccc1-n1nnnc1SCC(=O)c1ccc2c(c1)CCCC2 22006905 SRMWPRXFMWKPJN-UHFFFAOYSA-N 380.473 3.525 0 40 GHAB CCOC(=O)Nc1cccc(O[C@H](C)C(=O)Nc2cc(OC)cc(OC)c2)c1 22473298 PANYPZHAWHVMNG-CYBMUJFWSA-N 388.420 3.678 0 40 GHAB CC1CCC2(CC1)NC(=O)N(CN(C)Cc1ccccc1N1CCCCC1)C2=O 23653675 XDUKXQYJSXLGNF-UHFFFAOYSA-N 398.551 3.567 0 40 GHAB O=C(C[C@@H]1Oc2ccccc2NC1=O)N[C@@H](Cc1ccccc1)c1ccccc1 25623319 JJGGLUUCCOQGDN-UNMCSNQZSA-N 386.451 3.876 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1C 25975425 YMJRWMAXYZGRNR-HNNXBMFYSA-N 385.489 3.506 0 40 GHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cn3)c12 28229315 VTHFTDHHWYFUAQ-UHFFFAOYSA-N 386.253 3.564 0 40 GHAB Cc1cc(NC(=O)CCn2nc(C)c(Br)c2C)n(C2CCCC2)n1 28242432 GAIUAJXOGQJNGA-UHFFFAOYSA-N 394.317 3.911 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 30672925 IXWVWNFZURSQPH-IAGOWNOFSA-N 398.469 3.717 0 40 GHAB Cc1ccc(C(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1C 32642741 XKHYQLBHRLRWSN-UHFFFAOYSA-N 377.473 3.708 0 40 GHAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1)O[C@H](C)C2 32870483 ZKDAJTJWFPEPLG-ZIAGYGMSSA-N 397.475 3.806 0 40 GHAB Cc1ccc(CNC(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1F 32935985 XODOURPSQOXPON-UHFFFAOYSA-N 384.377 3.849 0 40 GHAB C[C@@H]1Cc2cc(Br)cc3c(=O)c(C(=O)NCc4ccccc4)cn1c23 33089160 SBSAKCNTXAUWMC-GFCCVEGCSA-N 397.272 3.811 0 40 GHAB COc1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4Cl)nnc3c2c1 35312232 FVVGCXLCHIRTFR-UHFFFAOYSA-N 399.863 3.899 0 40 GHAB COc1ccccc1N1CCN(CC(=O)c2c(C)n(C)c3ccccc23)CC1 35938049 WMKSFUDKAAFMOF-UHFFFAOYSA-N 377.488 3.500 0 40 GHAB CCc1nnc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)s1 36391158 ZTTLDCUBOFSYHW-UHFFFAOYSA-N 378.910 3.982 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 36394777 COYMRZYPHRULTK-YJBOKZPZSA-N 398.507 3.668 0 40 GHAB CCN(C(=O)CS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 40106073 QAMLYECYXTVGIB-UHFFFAOYSA-N 386.300 3.961 0 40 GHAB CC(=O)Nc1ccc(CC(=O)NCc2ccccc2CN2CCCC[C@H]2C)cc1 40107145 OYOYQNJJKMWEGF-GOSISDBHSA-N 393.531 3.878 0 40 GHAB Cc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)o1 40119930 AQCLXFSUYUTLJC-HNNXBMFYSA-N 394.393 3.614 0 40 GHAB CN(C(=O)c1nn(C)c(NC(=O)c2ccccc2Cl)c1F)c1ccccc1 41070640 YJRNTODNMDHAQY-UHFFFAOYSA-N 386.814 3.742 0 40 GHAB Cc1cccc(OCCNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c1C 41156697 ZHRGZZZBERFNRC-UHFFFAOYSA-N 394.427 3.538 0 40 GHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)C1CCN(Cc2ccccc2)CC1 47306236 CAPUTMNRZWCYSX-NRFANRHFSA-N 377.532 3.541 0 40 GHAB Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 47490496 RXEYXZITTDPLET-LJQANCHMSA-N 389.459 3.872 0 40 GHAB Cc1nc(COc2ccc(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)cc2)no1 49306951 FRKLUKGWIKRZES-UHFFFAOYSA-N 381.388 3.717 0 40 GHAB C[C@@H](C(=O)NCCC1=CCCCC1)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 49581070 SUUXLLBBSOHMBH-MSOLQXFVSA-N 381.524 3.655 0 40 GHAB Cc1ncc(CN(C)C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)s1 56361025 HLGYDTDXCYQZOM-UHFFFAOYSA-N 381.885 3.608 0 40 GHAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1cc2ccccc2o1 57514122 PRXHXNVCDKESKO-LJQANCHMSA-N 392.455 3.753 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nc2cc(C)[nH]c2c1=O 57521908 YWNVEKNURDASME-UHFFFAOYSA-N 394.859 3.576 0 40 GHAB CCOc1ccc(NC(=O)Cn2c(-c3ccccc3)nc(CC)cc2=O)cc1 57527029 IAHNNJYUQQNTGX-UHFFFAOYSA-N 377.444 3.510 0 40 GHAB CCOC(=O)[C@H](C)N1N=C(c2ccccc2)Cn2c(cc3sccc32)C1=O 57720464 GIASIKCBCBWZQR-ZDUSSCGKSA-N 381.457 3.515 0 40 GHAB CCOc1cc(C(=O)NC[C@@H]2CCN(C(C)C)C2)ccc1OCc1cccnc1 58104158 PQACLNJVEDJZGA-SFHVURJKSA-N 397.519 3.519 0 40 GHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(CN2C(=O)CSC2=O)cc1 58173138 BZNOBYNLHAWIQC-UHFFFAOYSA-N 390.848 3.553 0 40 GHAB O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 58447381 ZJWLNENOUGSRKC-BJMVGYQFSA-N 384.426 3.533 0 40 GHAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)c1ccc(F)c(C(F)(F)F)c1 67034445 LGLCSZFMEKBCFX-GXFFZTMASA-N 380.341 3.852 0 40 GHAB CCN(C(=O)Cn1c(-c2ccc(OC)cc2)nc(C)cc1=O)c1cccc(C)c1 67198525 KYODJWWLLXAVRL-UHFFFAOYSA-N 391.471 3.589 0 40 GHAB Cn1c(CN2CCOC[C@H]2c2nc(-c3ccc(F)cc3)c[nH]2)nc2ccccc21 67898766 OMUANXVUKXLGGC-FQEVSTJZSA-N 391.450 3.676 0 40 GHAB biogenic,in-vitro CC(=O)c1cccc(O[C@@H](C)C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 68731694 VXRZELAOZRSTGB-QFBILLFUSA-N 387.501 3.926 0 40 GHAB Cc1cc([C@@H]2CCCN2C(=O)OCc2ccccc2)cnc1N1CCOCC1 72219335 JJNYMPGYVPFHTF-FQEVSTJZSA-N 381.476 3.700 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2ccnc(Nc3cnccn3)n2)C1 72377549 ZLIKTWZXYDPOGB-OAHLLOKOSA-N 394.866 3.683 0 40 GHAB COc1ccc2cc(C(=O)N3CCN(Cc4ccco4)C[C@@H]3C(C)C)[nH]c2c1 72389434 FDJPCJXFTLWLQW-OAQYLSRUSA-N 381.476 3.752 0 40 GHAB CN1C(=O)c2cc(NC(=O)c3ccc(Cl)nc3)ccc2Oc2ncccc21 95480893 WFOUCETZWMMSFR-UHFFFAOYSA-N 380.791 3.765 0 40 GHAB CO[C@@H]1CCN(c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)C1 96122369 LFBOGVFFLKLYNI-LJQANCHMSA-N 382.485 3.866 0 40 GHAB CC(C)Cn1c(CCCNC(=O)Cc2ccc3c(c2)OCC3)nc2ccccc21 96231409 UXSKJAAUJOEJOX-UHFFFAOYSA-N 391.515 3.919 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cnc1Br 97083579 MOSPMFAKGRXXPD-UHFFFAOYSA-N 379.638 3.746 0 40 GHAB COc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)n[nH]3)CC2)c(C)c1 98212832 SHXMKLFLJISLEM-UHFFFAOYSA-N 396.516 3.854 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F 222485781 FWJGAYZTQOUHSV-INIZCTEOSA-N 388.508 3.531 0 40 GHAB Cc1cccc(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1C 222840618 WXCMDAQRWKHOGR-UHFFFAOYSA-N 396.512 3.539 0 40 GHAB Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C(=O)NCC(C)C 223259674 YNQBHAPHEYSPKV-INIZCTEOSA-N 386.517 3.521 0 40 GHAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 223477669 XGJIIGMGUALQLR-RBBKRZOGSA-N 398.478 3.601 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 225437543 OAJZNSYFHONORF-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3ccc(C)c(C)c3)ccc21 225697761 ZPVGTWIEKQPQQN-AWEZNQCLSA-N 390.530 3.739 0 40 GHAB COc1cc(/C=C/C(N)=O)cc(Br)c1OCc1ccccc1C 226335217 CTZPLPRMCLQFNM-BQYQJAHWSA-N 376.250 3.844 0 40 GHAB Cc1ccccc1N(CC(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O 243358981 LZFLIYHRUPDRNH-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB CC(C)Oc1ccc(N2C[C@H](C(=O)NCCCc3ccccc3)CC2=O)cc1 243546469 OHUJGEKHGKJSCG-LJQANCHMSA-N 380.488 3.576 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)NC[C@@](O)(c1ccsc1)c1cccs1 253409130 ZNHHXKWPLFACJS-ZPHJMFTNSA-N 391.539 3.636 0 40 GHAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(Cc2ccsc2)CC1 257224629 FCQDWTHPSHVYCX-UHFFFAOYSA-N 386.546 3.834 0 40 GHAB Cc1ccsc1CN1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccc1 306125905 DFIISWSQUMNZNS-UXHICEINSA-N 377.513 3.940 0 40 GHAB Cc1ccc(N2CCC3(CC2)Nc2ccccc2N(CCC(C)C)C3=O)nn1 306135903 PEFHQGBHCZRHNF-UHFFFAOYSA-N 379.508 3.629 0 40 GHAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c1C 408584444 PULRJZRKHQZHIT-UHFFFAOYSA-N 375.494 3.882 0 40 GHAB COc1ccc2c(ccn2CCCNC(=O)CC2(n3cccc3)CCOCC2)c1 524733030 MSTAZXZNFGKXTK-UHFFFAOYSA-N 395.503 3.554 0 40 GHAB O[C@H](COC(c1ccccc1)c1ccccc1)Cn1cnc(-c2ccncc2)n1 534397847 SHZWXRBBHPPVCB-NRFANRHFSA-N 386.455 3.507 0 40 GHAB Cc1nnnn1-c1ccc(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c(F)c1 562545562 GDPVDGBQKXQBME-QZTJIDSGSA-N 389.434 3.570 0 40 GHAB Cc1ccncc1[C@H](C)NC(=O)N(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 637004736 VKQLUFKURSNWLU-WDSOQIARSA-N 383.492 3.672 0 40 GHAB COc1cc(NC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc(Cl)c1OC 667287936 VAOUPQZSWMOYMI-XOKHGSTOSA-N 376.815 3.956 0 40 GHAB Cn1nc(C2CC2)cc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615159103 SXLIRTDANUAHCC-UZLBHIALSA-N 396.510 3.956 0 40 GHAB Cc1ccc(-n2ncc(Nc3ncnc4ccc(S(C)(=O)=O)cc34)c2C)cc1 1651999749 UCQBPFHNYJMMAI-UHFFFAOYSA-N 393.472 3.579 0 40 GHAB Cc1cccc(-n2ccn(Cc3nc(-c4ccccc4)oc3C)c(=O)c2=O)c1C 1889007685 UVMOYWLEDUSELQ-UHFFFAOYSA-N 387.439 3.628 0 40 GHAB CC(C)C(=O)N1CCCCCCCN(C(=O)[C@H]2CCCN2)Cc2ccccc21 2037884798 DNHBENQFEKLAIE-HXUWFJFHSA-N 385.552 3.720 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCCC3)cc2)cc1 627972 CKURQYGQGBFQRB-UHFFFAOYSA-N 386.517 3.883 0 40 GHAB Cc1ccc(C)c(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 653036 GHUDIZBANAAHCW-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB Fc1cc(F)c2[nH]cc(-c3nnnn3-c3ccc(Br)cc3)c2c1 982043 CULDJRFTROISJF-UHFFFAOYSA-N 376.164 3.851 0 40 GHAB O=C(NC(NNc1ccccc1)(C(F)(F)F)C(F)(F)F)c1cccs1 1440164 BWLHISDKKPHDLO-UHFFFAOYSA-N 383.317 3.916 0 40 GHAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)c2ccccc2)C1=O 1610818 YEFCTVDQVPSXSM-DEOSSOPVSA-N 399.450 3.819 0 40 GHAB O=C(CSc1nnc(-c2ccc(O)cc2)o1)c1cc2ccccc2oc1=O 2229170 YRELAQVGSLUSLO-UHFFFAOYSA-N 380.381 3.524 0 40 GHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCc2ccccc21 2636554 UKAJJNYVCNUIFX-UHFFFAOYSA-N 376.485 3.826 0 40 GHAB CCCCCC(=O)N[C@@H](Oc1ccccc1C(N)=O)C(Cl)(Cl)Cl 2702017 JZZHWRUMXSSCFO-AWEZNQCLSA-N 381.687 3.557 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1 3311828 WQJMJSCIJWBWOR-RSPDNQDQSA-N 389.835 3.941 0 40 GHAB CCC(=O)c1ccc(OC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 3345888 XYKRFRRQPMKKMN-UHFFFAOYSA-N 392.407 3.859 0 40 GHAB C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc(F)cc1Cl 3445328 KKTKOQUSAXYBFB-LURJTMIESA-N 382.770 3.746 0 40 GHAB COc1ccc(-c2cc3ccc(OCC(=O)OC(C)C)cc3oc2=O)c(OC)c1 4085493 UNHOPAWWLFKVHN-UHFFFAOYSA-N 398.411 3.808 0 40 GHAB biogenic O=C(C1CCCCC1)N(c1ccc(Br)cc1)[C@H]1C=CS(=O)(=O)C1 4165585 OTDDCHKLWMIMJW-INIZCTEOSA-N 398.322 3.673 0 40 GHAB CC(C)c1ccc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)cc1 4325894 HQXXBUAODXYJGL-UHFFFAOYSA-N 380.419 3.992 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cn1N 4406073 YYVGRQBJNVNNTB-IAGOWNOFSA-N 394.544 3.882 0 40 GHAB COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1OC 4479345 AWFNRKGKDKJQRB-UHFFFAOYSA-N 384.413 3.808 0 40 GHAB O=C(Oc1ccc(Cl)cc1)C1CCC(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)CC1 4544798 DRFFJAFFOMLLGK-FEXKMXLESA-N 399.874 3.611 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)n2)cc1 4723695 SEIIQZRVNKLCHP-UHFFFAOYSA-N 386.498 3.839 0 40 GHAB Cc1ccc(S(=O)(=O)NCCOc2ccc(C(=O)c3ccccc3)cc2)cc1 4727586 IQYQXSVAJNGLGY-UHFFFAOYSA-N 395.480 3.583 0 40 GHAB COCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2cccc(C)c2)s1 4982530 ORLBFSIECOCBSN-UHFFFAOYSA-N 383.473 3.815 0 40 GHAB O=C(CSc1nnc2ccc(-c3ccccc3)nn12)Nc1ccccc1F 5167284 YHKJDYXAHCARHZ-UHFFFAOYSA-N 379.420 3.661 0 40 GHAB O=C(/C=C/c1cccs1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 5182086 YHHAQFDBEMDDMB-ONEGZZNKSA-N 391.468 3.998 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 5253779 QARMQEFCZWKRBW-UHFFFAOYSA-N 392.242 3.659 0 40 GHAB O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1cccs1 5334888 PDHNMUDXAKPMHA-QFIPXVFZSA-N 390.464 3.621 0 40 GHAB COc1ccc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCC6)n[nH]2)cc1 6289785 AMSKGIPJIKAOBR-UHFFFAOYSA-N 388.456 3.893 0 40 GHAB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)CCCC2 6362284 IWKMMMXQBZDBCI-UHFFFAOYSA-N 377.440 3.732 0 40 GHAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(C=O)cc3)n2)cc1 6407880 AHMFHNSCWDBHMB-UHFFFAOYSA-N 380.425 3.727 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)COc1ccc(Cl)c(C)c1 6652606 DXRSTUJXVGSIIK-UHFFFAOYSA-N 396.821 3.793 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 6652698 UQOBWMUJNSVGOG-OXJNMPFZSA-N 386.467 3.744 0 40 GHAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3cccc(Cl)c3)cc2O1 6754622 YDZJLGPIUQMKHD-UHFFFAOYSA-N 375.808 3.807 0 40 GHAB Cc1ccc(CN2C[C@H](C(=O)Nc3cccc(Br)c3)CC2=O)cc1 7609543 RRJHBOXAOQWXLD-OAHLLOKOSA-N 387.277 3.745 0 40 GHAB COc1cc(/C=C/C(=O)O)ccc1OS(=O)(=O)c1c(C)c(C)cc(C)c1C 7814902 NCSNMDYBVBAVNL-VQHVLOKHSA-N 390.457 3.794 0 40 GHAB COC(=O)c1ccc(CNC(=O)CCSc2nc3ccccc3s2)cc1 8277025 LMUFUJGRRZZCGA-UHFFFAOYSA-N 386.498 3.882 0 40 GHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1 8342155 KGAQFNQXCUWQCW-SJORKVTESA-N 386.517 3.598 0 40 GHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2nc(-c3ccccc3)no2)C1=O 8751196 APMBWODURSWIPE-QHCPKHFHSA-N 398.422 3.857 0 40 GHAB O=C(Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2cccs2)c2ccccc21 8991516 SMTKWNDEPHWBTM-QFIPXVFZSA-N 377.465 3.684 0 40 GHAB COC(=O)c1ccc2nc(NC(=O)COc3ccccc3Cl)sc2c1 9304536 XKWWHYQOZOSWPM-UHFFFAOYSA-N 376.821 3.754 0 40 GHAB CC(C)C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 9338226 RSIQGNFCENEHQF-GOSISDBHSA-N 398.894 3.850 0 40 GHAB O=C(OC[C@H]1CCCO1)c1ccc(COc2ccccc2Br)o1 9434604 IBGLGRIPRFZBGF-GFCCVEGCSA-N 381.222 3.957 0 40 GHAB Cn1c2ccc(Br)cc2c2cc(C(=O)N3CCOCC3)sc21 9469281 RMVBINUMNGKDGK-UHFFFAOYSA-N 379.279 3.628 0 40 GHAB CC(C)CNC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1 9694949 XJFLTAZXGCATQI-UHFFFAOYSA-N 380.897 3.668 0 40 GHAB Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1cccnc1)n1nnnc1N2 10336914 ROXBQIJGDPDFAG-LEWJYISDSA-N 398.401 3.767 0 40 GHAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 10434102 WDFPCTICRHXNIY-LJQANCHMSA-N 380.488 3.729 0 40 GHAB Cc1cccc(C(=O)NCC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1 11274003 ILUDMYRPTJWXJY-UHFFFAOYSA-N 384.439 3.702 0 40 GHAB COc1ccc(OCC(=O)OCc2cc(-c3ccc(F)cc3F)on2)cc1 11613686 BTXSQDKIWGAGJS-UHFFFAOYSA-N 375.327 3.751 0 40 GHAB Cc1cc2occ(CC(=O)Nc3nnc(CCN4CCCC4)s3)c2cc1C 12203394 MYQKMTQSZSLWPD-UHFFFAOYSA-N 384.505 3.721 0 40 GHAB COCC(=O)N1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 12220325 XCVKJHMQYDQWFY-NWANDNLSSA-N 388.434 3.527 0 40 GHAB Cc1ccc(CC(=O)N2CCC[C@@H](c3nc(O)cc(-c4ccccn4)n3)C2)cc1 12256780 DAFSWYDSUMVIKA-GOSISDBHSA-N 388.471 3.501 0 40 GHAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 12293728 WAINOKZUJMAMQA-VQTJNVASSA-N 389.442 3.657 0 40 GHAB Cc1ccc(N2C[C@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)c(C)c1 12416004 YEORUXGWPMUADQ-OAHLLOKOSA-N 377.400 3.603 0 40 GHAB C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)N1CCc2ccccc2C1 12735023 ZCDUCMNTHAOASB-HNNXBMFYSA-N 384.549 3.993 0 40 GHAB COc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)OCO3)N2CCCCC2)cc1 12753898 YHEBPVSBGDCZJB-IBGZPJMESA-N 397.475 3.773 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 12790966 ICYZZCIJLDTHPQ-PDGQHHTCSA-N 393.353 3.848 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCC12CC3CC(CC(C3)C1)C2 12880272 PXJMKYWRBJAWMM-LZGZYFLISA-N 386.511 3.913 0 40 GHAB CCOc1ccc(CN(C)C(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 12896849 OTLXZWQCGCZUGE-UHFFFAOYSA-N 391.471 3.729 0 40 GHAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CCCOc1ccc(Cl)cc1 12920489 TZDFQGHJEPKAKO-LJQANCHMSA-N 397.862 3.753 0 40 GHAB COc1ccccc1-c1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)nn1 13666672 ZXXHLRJICSVNDZ-UHFFFAOYSA-N 389.459 3.506 0 40 GHAB CC[C@H](C(=O)NC1CCCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716459 ZHCXCFDAIUFUFD-LJQANCHMSA-N 380.554 3.687 0 40 GHAB CS(=O)(=O)NCCc1ccc(-c2csc(COc3ccccc3)n2)s1 14103687 UGCLQNXILZMLQG-UHFFFAOYSA-N 394.543 3.542 0 40 GHAB C[C@H](C(=O)NCCSc1ccc(Cl)cc1)n1c(=O)oc2ccccc21 14310077 CBWLXERGUWKIAO-GFCCVEGCSA-N 376.865 3.717 0 40 GHAB CCOc1ccc(CCNC(=O)COc2ccccc2OCC)cc1OCC 14511173 CXHYARZCZVCSRD-UHFFFAOYSA-N 387.476 3.620 0 40 GHAB O=C1NC(=S)N/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 15011772 IPDSDYQVYYGXCO-VIZOYTHASA-N 379.268 3.918 0 40 GHAB CCc1ccc2oc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc(=O)c2c1 15859928 SXTPFCUQALEHHG-GOSISDBHSA-N 394.471 3.905 0 40 GHAB C[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 16109047 JZBDQVSHPBXFDH-CYBMUJFWSA-N 397.949 3.854 0 40 GHAB O=C(O)c1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 16401439 PVYFKMMSTMVMBL-NVNXTCNLSA-N 391.210 3.785 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)c1ccc(I)cc1 17970645 HBLWEPZBIGFJTD-NSHDSACASA-N 381.213 3.791 0 40 GHAB Cc1sc2[nH]c(SCC(=O)Nc3ccccc3Cl)nc(=O)c2c1C 18068690 ACNVNVBEHDLUFH-UHFFFAOYSA-N 379.894 3.986 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@H](c2nc(N3CCCC3)ncc2-c2ccncc2)C1 19081185 RRDNERQGYMUFSS-SFHVURJKSA-N 393.535 3.891 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[C@@H](C)n2nnc3ccccc32)c1 19455236 SAGKIWNTEFJREL-BEFAXECRSA-N 394.475 3.763 0 40 GHAB CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)Cc1cccnc1 19590811 AIFLDNJAPIZZTA-XJUOHMSHSA-N 381.495 3.632 0 40 GHAB Cc1cc(NC(=O)c2cccc(CN3CCOCC3)c2)ccc1Br 20487713 ZULDLPWEZLLARQ-UHFFFAOYSA-N 389.293 3.842 0 40 GHAB COc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3cccc(Cl)c32)cc1 20745622 ABZZPPLNMXFIMH-FQEVSTJZSA-N 394.818 3.764 0 40 GHAB CCN1CCc2nc(NC(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)sc2C1 21295385 KESQAHNPXLTAQP-UHFFFAOYSA-N 386.521 3.565 0 40 GHAB CCn1cc(C(=O)Nc2ccc(F)c(F)c2F)c(=O)c2cc(OC)ccc21 22236093 YOCHDIOMTNBZIZ-UHFFFAOYSA-N 376.334 3.700 0 40 GHAB CN(Cc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cn1 22343364 MDKULSWPJSJUSN-UHFFFAOYSA-N 399.438 3.521 0 40 GHAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccc(Cl)cc1Cl 22765801 FDMOXJPQYZKAJJ-INIZCTEOSA-N 385.316 3.858 0 40 GHAB Fc1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)c(Br)c1 24891687 RJWFALZZBVGCHD-UHFFFAOYSA-N 377.095 3.837 0 40 GHAB Cc1cccc(-n2c(SCc3nc(C(C)C)no3)nc3ccccc3c2=O)n1 24990462 DYVBDLAPKJYPCE-UHFFFAOYSA-N 393.472 3.888 0 40 GHAB CCNC(=O)COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 24992752 JXAUTXQQBXYDHX-LBPRGKRZSA-N 395.286 3.999 0 40 GHAB O=C(CCC(=O)c1ccc(Cl)s1)NCC1(N2CCOCC2)CCCCC1 25784807 GWCVTZBCOFBFSR-UHFFFAOYSA-N 398.956 3.516 0 40 GHAB CN1CCCN(C(=O)Cc2ccc(OC(F)F)cc2)c2nc3ccccc3nc21 26366428 CUXPBNJBDYXQHZ-UHFFFAOYSA-N 398.413 3.647 0 40 GHAB CCc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cs2)cc1 26366785 ZQNJEPGQLTYXIU-UHFFFAOYSA-N 391.452 3.851 0 40 GHAB O=C(Nc1ccc(Cl)cn1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 26860872 BGIBKHYMFUWQSD-UHFFFAOYSA-N 382.851 3.814 0 40 GHAB COc1ccccc1-c1nc2c3cnn(-c4cccc(Cl)c4)c3ncn2n1 27795865 HMAGAUAOFUEDFF-UHFFFAOYSA-N 376.807 3.792 0 40 GHAB Cc1cccnc1NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Br)c1C 27936279 ZPNVSCZXHNOKBO-SECBINFHSA-N 391.191 3.876 0 40 GHAB COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2cccc(F)c2)cc1 32094524 TZXMRVXSMKNEFY-KRWDZBQOSA-N 394.406 3.528 0 40 GHAB O=C1N[C@@H](c2cccc(F)c2)Nc2c1cnn2-c1cccc(C(F)(F)F)c1 32909405 FTCSJEAZEMIRFR-HNNXBMFYSA-N 376.313 3.884 0 40 GHAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)ccc12 32975802 LWBUWWRNMKAQAU-IBGZPJMESA-N 393.439 3.589 0 40 GHAB O=C(c1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1)N1CCCC1 36100573 OIFZDQCLDOIHDJ-UHFFFAOYSA-N 378.881 3.518 0 40 GHAB COc1ccc(-c2nnc3sc(-c4cc(C(C)(C)C)n[nH]4)nn23)cc1OC 36358852 SVWUBBVQYVZBAS-UHFFFAOYSA-N 384.465 3.558 0 40 GHAB COc1ccccc1C(=O)NCCC(=O)N(Cc1ccco1)c1ccc(C)cc1 39975936 LPFYJWBIGMXGPY-UHFFFAOYSA-N 392.455 3.950 0 40 GHAB CSc1ccc(CN(C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 40094955 FJRAOJIMUDMPEZ-UHFFFAOYSA-N 396.516 3.870 0 40 GHAB NC(=O)COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)cc1 40267103 PLJUUQCBZUMXRT-INIZCTEOSA-N 396.834 3.513 0 40 GHAB NC(=O)c1ccc(NC(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)cc1 40283082 STGYDFMTXGLVSM-UHFFFAOYSA-N 399.450 3.958 0 40 GHAB COC(=O)c1cc(NS(=O)(=O)C2=Cc3ccccc3CC2)ccc1Cl 44330311 ASZTZAGUIFVKDL-UHFFFAOYSA-N 377.849 3.856 0 40 GHAB Cc1cnn(-c2ccc(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)cc2)c1 45059881 LFDWQPFUYREYQT-UHFFFAOYSA-N 389.455 3.621 0 40 GHAB COc1cccc([C@H](CNCc2csc(-c3ncccn3)n2)N2CCCC2)c1 48341073 FTCPGSGZMIRMJZ-IBGZPJMESA-N 395.532 3.535 0 40 GHAB Cc1nnc(C2CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)s1 49365622 SQRGXQYVHBEAKW-UHFFFAOYSA-N 384.427 3.683 0 40 GHAB CN(Cc1ccc(O)cc1)C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 52963921 OUHHPGGHXHFUEV-UHFFFAOYSA-N 383.398 3.617 0 40 GHAB COC(=O)c1cc(CNC(=O)N[C@H](C)c2ccccc2C(F)(F)F)oc1C 56854015 HAWZALOJBGDAFX-SNVBAGLBSA-N 384.354 3.954 0 40 GHAB COC(=O)c1cccc(C(=O)Nc2ccccc2N2CCc3sccc3C2)n1 57284108 JAGWYFCQPNDKCJ-UHFFFAOYSA-N 393.468 3.745 0 40 GHAB CC(C)C[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1 57669626 IJJTXVLTYBRQSS-HXUWFJFHSA-N 386.519 3.837 0 40 GHAB CC(C)CN1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1 58405052 VXUMKRKWYRFKBR-UHFFFAOYSA-N 395.429 3.697 0 40 GHAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 70931366 AKUVOVZSAPYAOU-UHFFFAOYSA-N 397.478 3.954 0 40 GHAB CCCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1cccc2nccnc12 72314698 OHMCVTZWWAKSPJ-SFHVURJKSA-N 388.427 3.836 0 40 GHAB Cc1nc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)sc1C 72338982 ZIDVWOQYNDEBLD-PBOVLVJJSA-N 397.500 3.653 0 40 GHAB COc1cccc2cc(C(=O)N3CC(c4nc(Cc5ccccc5)no4)C3)oc12 77190660 WESJVFFIMBODOH-UHFFFAOYSA-N 389.411 3.655 0 40 GHAB CC1=NN(c2ccc(C(=O)OC[C@@H]3CCN(Cc4ccccc4)C3)cc2)CC1 89919811 TXEVVPQTOBCOIV-HXUWFJFHSA-N 377.488 3.952 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 95351748 CMMSJAVULFBALR-RYQLBKOJSA-N 390.439 3.757 0 40 GHAB CCC[C@@]1(C(F)(F)F)CCCN1S(=O)(=O)c1cc(OC)ccc1OC 95428009 XATWIBDEWVPDTC-HNNXBMFYSA-N 381.416 3.590 0 40 GHAB Cc1ccc(NC(=O)N[C@@H](C)c2ccon2)cc1NC(=O)N[C@H](C)c1ccon1 95462255 ZSGWPPNKCMCNQF-QWHCGFSZSA-N 398.423 3.736 0 40 GHAB Cc1oc(C)c(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)c1Br 95949158 YNMUKMZNRCOLBI-UHFFFAOYSA-N 399.628 3.896 0 40 GHAB O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 95993073 PVCKKVTWBJXFHQ-CQSZACIVSA-N 380.448 3.566 0 40 GHAB Cc1cccc(CN2CC[C@]3(COCc4cnc(NCc5ccco5)nc43)C2)c1 96244220 CCIMVUOBAWXKFC-HSZRJFAPSA-N 390.487 3.664 0 40 GHAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnccn4)o3)CC2)c1 100156068 JHFZTYKENQUHSV-OKILXGFUSA-N 383.477 3.600 0 40 GHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COc1ncnc2ccc(Br)cc12 102362967 TZRNYRDXGUGTBP-TYNCELHUSA-N 392.297 3.712 0 40 GHAB CC1(C)CC(O)CC(C)(C)N1C[C@@H](O)CCO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102579328 LVHVVULBVCVEDK-BDLQGWJCSA-N 381.601 3.983 0 40 GHAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(Cc2ccccc2)C(C)(C)C1 104731485 VSMBAWUIBLULNL-KRWDZBQOSA-N 376.504 3.581 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(OC)c1OC 219022530 WUUIPNGPRWXRFI-HNNXBMFYSA-N 395.455 3.949 0 40 GHAB Cc1c(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cnn1-c1ccccc1 220728942 BYOTUICVGQHPCL-INIZCTEOSA-N 391.475 3.536 0 40 GHAB CCOC(=O)c1cc(NC(=O)CCc2ccc3c(c2)OCO3)ccc1Cl 222652678 CQJXDYADCMUOAD-UHFFFAOYSA-N 375.808 3.817 0 40 GHAB Cc1ccccc1-c1noc(CN(C)S(=O)(=O)Cc2cccc(Cl)c2)n1 223628751 QDLDHWISBYZWQH-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2cccc(F)c2)c1 224075749 CMXQJJQFZMGBIT-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 225183948 QZNXMWLRPUOCMR-SFHVURJKSA-N 384.545 3.700 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1C 225729906 GKZUZUIVAXKDKV-IYBDPMFKSA-N 391.581 3.826 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1 225730003 AZRGLOVDEHRBBK-IYBDPMFKSA-N 391.581 3.826 0 40 GHAB COc1ccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)cc1OC 225739444 HALWYUIDIKZBRZ-HNNXBMFYSA-N 385.533 3.832 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 225839278 JNZYAWPNTJIPJD-GGEWLMIJSA-N 396.512 3.832 0 40 GHAB COC(=O)c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)o1 226306564 MDFHZDBJEOZYJD-UHFFFAOYSA-N 387.413 3.543 0 40 GHAB Cc1cccc(CS(=O)(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)c1 238813209 AUZCCYXHPDBAIC-IBGZPJMESA-N 382.485 3.526 0 40 GHAB Cc1ccc2c(n1)N(C)[C@@H](c1ccc(NC(=O)[C@@H]3CC=CCC3)cc1)NC2=O 248329191 CWCAFZPUQVBSMP-APWZRJJASA-N 376.460 3.563 0 40 GHAB COc1ccc(-c2n[nH]c(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2C)c(OC)c1 253599489 LUAUPIPRNGRNBV-LLDVTBCESA-N 383.492 3.957 0 40 GHAB O=C(c1cccc(F)c1)N1CCO[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257306958 SWSFAYNBDIFXOP-LJQANCHMSA-N 384.382 3.757 0 40 GHAB Cc1c(C)n(C[C@@H](O)CN(C)Cc2ccc(OCCCO)cc2)c2ccccc12 257326098 WVUTXZQDDGBSNA-NRFANRHFSA-N 396.531 3.512 0 40 GHAB COc1cccc2c1OC1(CCN(C(=O)c3ncoc3C)CC1)[C@H]1CCCO[C@H]21 257330873 XQJGRZNORQYSHX-QFBILLFUSA-N 398.459 3.527 0 40 GHAB CCC(CC)CN1CC(F)(F)C[C@@]2(CCCN(Cc3cc(C)nn3C)C2=O)C1 306122968 AAYCUOCKONCQNZ-FQEVSTJZSA-N 396.526 3.615 0 40 GHAB COc1ccc(-c2ccc3c([C@H]4CN(Cc5ccoc5)CCO4)nnn3c2)cc1 306125596 CVDBWDCLTSSRCD-OAQYLSRUSA-N 390.443 3.571 0 40 GHAB O=C(CCc1ccccc1)N1CCC2(CC1)C[C@H](CN1CCC(F)(F)CC1)O2 306126101 DMYLXEFNEIRWQB-LJQANCHMSA-N 392.490 3.500 0 40 GHAB Cc1ccc(CN2C[C@@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)s1 306127792 GHRPBCLNQXBDAO-TZIWHRDSSA-N 396.537 3.874 0 40 GHAB Cc1cc(OC2CCN(C(=O)COc3ccc(C(C)C)cc3)CC2)nc(C)n1 390826590 NSAQYVRNRDUEFX-UHFFFAOYSA-N 383.492 3.666 0 40 GHAB COc1cccc(C(=S)NC[C@H]2CCCO2)c1OCc1ccc(F)cc1 408576021 PIORUGYHAUYTGO-MRXNPFEDSA-N 375.465 3.857 0 40 GHAB CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 521062169 JQTABFTUORMQBW-QGZVFWFLSA-N 396.495 3.500 0 40 GHAB Cc1nc(N2CCC(Nc3ncnc4ccsc34)CC2)cc(C(F)(F)F)n1 575615209 CLWNTVIDDAWPKU-UHFFFAOYSA-N 394.426 3.889 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)cc1C(F)(F)F 585081621 APWCKBFIJRGPQS-HNNXBMFYSA-N 387.379 3.631 0 40 GHAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)Nc1ccnn1Cc1ccc(C)cc1 668017573 IHESSDSETLAEKH-UYAOXDASSA-N 393.491 3.563 0 40 GHAB C[C@@H](NC(=O)c1ncsc1Nc1ccccc1)c1ccc(NC(N)=O)cc1 1544043822 LCPMUUJCASWNHY-GFCCVEGCSA-N 381.461 3.868 0 40 GHAB O=C(N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)O)c1sccc1Cl 1601422786 VMPHBOVEKJCUFU-NSHDSACASA-N 393.770 3.726 0 40 GHAB CCOc1ccc(-c2ccc(N3CCN(Cc4csc(C)n4)CC3)nn2)cc1 1888901283 WVERMHNVDGMRBJ-UHFFFAOYSA-N 395.532 3.629 0 40 GHAB CCOc1ccc(CN2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)cc1 2037983958 LTKLMEZFKKFWIU-DEOSSOPVSA-N 394.515 3.873 0 40 GHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 37215192 HKIWCNFMFZAPCA-HXUWFJFHSA-N 393.531 3.580 0 40 GHAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1cccc(C(F)(F)F)c1)C(=O)C2 947875 ZLPFVDXUEVRGBT-BDJLRTHQSA-N 375.412 3.843 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)Nc1ccc(F)cc1F 6495620 URIIATYWDHTURH-VIZOYTHASA-N 392.358 3.779 0 40 GHAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)[C@H]1c1cccs1 6875862 BNVAIHJCXCVRCI-WOJBJXKFSA-N 398.528 3.544 0 40 GHAB CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 8080357 QAFOPWOPIDQAID-UHFFFAOYSA-N 392.908 3.939 0 40 GHAB O=C(CSc1nncn1CCc1cccs1)Nc1ccc(F)cc1F 8724187 CLNQCGUTIBUONO-UHFFFAOYSA-N 380.445 3.591 0 40 GHAB C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12326658 NBUPWUNXDZAFKX-QUCCMNQESA-N 391.515 3.705 0 40 GHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 104678959 SZFDPJXWBDBUPO-RNCIANSQSA-N 387.549 3.898 0 40 GHAB Cc1cc(OCCCC(=O)NCc2ccnc(-n3ccnc3)c2)ccc1Cl 54628547 AKJKRUGHLZVJJD-UHFFFAOYSA-N 384.867 3.705 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1 23882741 KOYAWTBWSIAVJW-UHFFFAOYSA-N 395.440 3.605 0 40 GHAB Cc1cc(C)cc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)c1 9573692 RPSVCQZAHQLVCL-UHFFFAOYSA-N 384.487 3.759 0 40 GHAB CN1C(=O)N(C)[C@@]2(c3ccccc3)N(c3ccccc3)C(=O)N[C@@]12c1ccccc1 1253808 ODQIUXKUOIJIPS-ZEQRLZLVSA-N 398.466 3.919 0 40 GHAB CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCC(C)CC3)c(O)n2n1 22853359 ALGOBXJTAYYJAV-QGZVFWFLSA-N 386.521 3.889 0 40 GHAB OCCn1c(CN2CCC(c3ccc(O)cc3)CC2)nc2ccc(Cl)cc21 12551436 ZAJALCHFXFFBDS-UHFFFAOYSA-N 385.895 3.767 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(c2ccccc2F)CC1 12563410 CJIWPQACTHCALR-UHFFFAOYSA-N 379.435 3.762 0 40 GHAB CCc1ccc(NC(=O)CSC2=NN(C)CC(Oc3ccccc3)=N2)cc1 57401748 BLEJTSWULPYHEN-UHFFFAOYSA-N 382.489 3.615 0 40 GHAB O=C(Nc1ccccc1SC1CCCC1)N1CCN(c2cnccn2)CC1 44328362 UBQRWVMRUNCMCL-UHFFFAOYSA-N 383.521 3.865 0 40 GHAB Cc1cccc(-c2nnc3sc(NC(=O)COc4ccc(C)c(C)c4)nn23)c1 20486594 BIBNKJBEMKYFML-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB O=C(Nc1ccc(NS(=O)(=O)c2ccccc2Br)cc1)C1CC1 12541777 WRIYBFFTSRPOMN-UHFFFAOYSA-N 395.278 3.598 0 40 GHAB C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C[C@@H](C)O1 44812646 VQAFUHZZXZWUCB-BETUJISGSA-N 391.265 3.886 0 40 GHAB COc1cc(OC)cc(C(=O)OCC(=O)c2ccc(Br)s2)c1 3280714 MFKLEFOEYHKCLK-UHFFFAOYSA-N 385.235 3.568 0 40 GHAB CN(C(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C1CCCCC1 20035844 VKACJIIZWFPAIZ-UHFFFAOYSA-N 392.546 3.978 0 40 GHAB C[C@H](NC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1cccc(F)c1 58330163 OKADIAGYOJMIBY-HNNXBMFYSA-N 375.488 3.757 0 40 GHAB CC(C)(C)[C@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnnn32)C1 2280721 QZUDIGYYGXTNFV-LBPRGKRZSA-N 379.489 3.641 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)c1 12756692 PDHDCPPSSQHGOU-IBGZPJMESA-N 386.517 3.712 0 40 GHAB O=C1N(Cc2ccc3c(c2)OCO3)c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12 2332206 CBNMPJYAQVKNPP-XMMPIXPASA-N 398.418 3.679 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)ccc1N1CCCC1=O 20106261 ABCKDPBGSDVSRN-UHFFFAOYSA-N 388.489 3.710 0 40 GHAB CC(C)CNC(=O)c1ccccc1NC(=O)CN(C)[C@@H]1CCc2ccccc21 29489535 LMQSJFZSTHESDZ-OAQYLSRUSA-N 379.504 3.630 0 40 GHAB Cc1ccccc1-c1c2c(nc3nc(N4CCCCC4)[nH]c(=O)c13)CCCC2=O 20673712 WMSVFCSQXPRXEB-UHFFFAOYSA-N 388.471 3.803 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1ccc(Cl)cc1Cl 12791848 CCNPJJMBSBNQIP-QGZVFWFLSA-N 377.271 3.613 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c(C)c1 48354333 FQQMEAAOZDCFJF-UHFFFAOYSA-N 388.489 3.770 0 40 GHAB O=C1C(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C(=O)N1CCC1=CCCCC1 12887916 ZSQADBPGFSPDOF-UHFFFAOYSA-N 397.406 3.662 0 40 GHAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccccc1C(F)(F)F 3472492 FQMAETKCZPFUAH-UHFFFAOYSA-N 391.301 3.607 0 40 GHAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 3419392 ZACNQNTTXMXUJJ-UHFFFAOYSA-N 376.478 3.752 0 40 GHAB c1cncc(-c2ccc3nc([C@H]4CCCN(Cc5nccs5)C4)nn3c2)c1 306137887 RJDLSSYUBMFVLF-KRWDZBQOSA-N 376.489 3.627 0 40 GHAB Cc1cc(=O)c(C(=O)N2C[C@H](C)C[C@@H](C)C2)nn1-c1ccccc1C(F)(F)F 13003039 UUULOSXVHDLJPF-CHWSQXEVSA-N 393.409 3.678 0 40 GHAB CCOc1ccc2nc(NC(=O)C3(NC(C)=O)CCC(C)CC3)sc2c1 63568253 JOOQVWKZTZRGDG-UHFFFAOYSA-N 375.494 3.719 0 40 GHAB Cc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 13944210 YJFAUEFBGHGTCK-INIZCTEOSA-N 392.484 3.928 0 40 GHAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)N(c2cccc(C)c2C)C(=O)N=C1O 9009717 RKYWSOLGBFAISM-JOCHJYFZSA-N 377.444 3.714 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)Cc2cc(C(C)=O)ccc2OC)c1 14069448 YFYVECKBTRXMFN-UHFFFAOYSA-N 382.460 3.561 0 40 GHAB C[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cccs1 14138664 IFPCXEKZPHJGJZ-NSHDSACASA-N 395.410 3.637 0 40 GHAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(C)c1 14128695 JOQRUBQUVRFNBF-RKTXRCNFSA-N 387.553 3.701 0 40 GHAB Cc1ccc2nc(COc3ccc(Cl)cc3Br)cc(=O)n2c1 5429101 IYEJDESTFKGTEZ-UHFFFAOYSA-N 379.641 3.998 0 40 GHAB Cc1ccccc1-c1nnc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)o1 5505540 BPLIMBUEYADTNM-SFHVURJKSA-N 395.484 3.737 0 40 GHAB CCc1ccc(S(=O)(=O)c2cn(CC)c3cc(F)c(F)cc3c2=O)cc1 6738912 JUMSAYZATHZUMI-UHFFFAOYSA-N 377.412 3.695 0 40 GHAB CCCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](CC)C3)n1C 5776310 OKAGKXBSVWFIRX-LBPRGKRZSA-N 378.567 3.677 0 40 GHAB c1ccc(-c2noc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)n2)cc1 9126430 IONRHKVRFXFHEC-UHFFFAOYSA-N 380.385 3.808 0 40 GHAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(OC[C@H]2CCCO2)cc1 4988341 PFHMCGYQXYXHHO-HXUWFJFHSA-N 384.428 3.813 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)c1 9237884 KSVKNHBQJWQSSO-ROUUACIJSA-N 379.489 3.601 0 40 GHAB COc1ccc(OCCNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 15615622 YSNZXSVVSOUEEG-UHFFFAOYSA-N 396.491 3.953 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc21 15867548 QBQBXINOTOVKPP-UHFFFAOYSA-N 389.521 3.644 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CSc1nnc(C)n1C1CC1 7617816 JMVBVGBNZNRTPT-UHFFFAOYSA-N 381.299 3.723 0 40 GHAB O=C1C[C@H](c2coc3ccc(Cl)cc3c2=O)c2c(ccc3nsnc23)O1 96231010 IBWMKLKPTGZJBM-SECBINFHSA-N 384.800 3.892 0 40 GHAB O=c1c2ccccc2nc2n1CCN2CCOc1ccc(Cl)cc1Cl 9476731 LOBCQZNKVQKFPI-UHFFFAOYSA-N 376.243 3.602 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1ccccc1F)S(C)(=O)=O 113967790 QSIQUCARKVHCJW-KRWDZBQOSA-N 378.469 3.626 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)COc2c(C)ccnc2Cl)cc1 95458222 DQGMJWJZQDLVFD-UHFFFAOYSA-N 375.856 3.543 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(Cl)c1 20461887 WKCFGQJVGYPXQB-KRWDZBQOSA-N 378.881 3.519 0 40 GHAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc2oc(C)nc2c1 9709971 ABSDKEUHDPTCRA-QGZVFWFLSA-N 398.438 3.882 0 40 GHAB CN(Cc1nccn1C(F)F)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 98030040 SLVUNLZBRQGBNB-AWEZNQCLSA-N 394.422 3.890 0 40 GHAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2CN(Cc3ccsc3)C[C@H]21 306130512 JIRQWDKOHBENSE-AZUAARDMSA-N 382.510 3.565 0 40 GHAB Cc1cccc(C(=O)N2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)c1 306131518 KHLCCCVRIWICCR-HSZRJFAPSA-N 391.446 3.813 0 40 GHAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)[C@H]1CCCN(c2cnccn2)C1 32803721 ZGJISFDTTHTTCI-INIZCTEOSA-N 399.926 3.975 0 40 GHAB COc1cccc(Cc2cccc(C3CCN(C(=O)c4coc(C)n4)CC3)n2)c1 72350464 QDCQOMNKPTVNMN-UHFFFAOYSA-N 391.471 3.997 0 40 GHAB COc1ccccc1Oc1cncc([C@H]2CCCN(Cc3cn(C)nc3C)C2)n1 72362585 FTXIPNJNHLMJBW-KRWDZBQOSA-N 393.491 3.699 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(S(C)(=O)=O)cc1 219311149 ZMESPNFPCUSXMV-QFBILLFUSA-N 389.517 3.742 0 40 GHAB Cc1nc(N)c2ccc([C@H]3CCCN3C(=O)CCCc3ccccc3)nc2n1 72377345 YTESLCXPGGZRRR-LJQANCHMSA-N 375.476 3.602 0 40 GHAB Cn1ccnc1[C@@H]1C[C@@H](NC(=O)Nc2ccnc(-c3ccccc3)c2)CCO1 562596482 QSWRYWBZZDXPKO-HKUYNNGSSA-N 377.448 3.524 0 40 GHAB Cc1cc(C(C)(C)C)oc1C(=O)N1[C@H]2CC[C@@H]1[C@]1(C2)NC(=O)c2ccccc2N1 72327362 ZIBZBVJSCGFPGN-KNUWZQJKSA-N 393.487 3.814 0 40 GHAB Cc1c(C(=O)O)sc2nc(CN(C)C)nc(N[C@H]3CCCC(F)(F)C3)c12 566290349 GHZRXLORURISFN-JTQLQIEISA-N 384.452 3.749 0 40 GHAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1 223561347 IXVMMXWHLRJZTM-NRFANRHFSA-N 382.504 3.789 0 40 GHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCC 224611748 MJFNZZJMLPDBMW-JOCHJYFZSA-N 396.531 3.961 0 40 GHAB CCOc1cccc(NC(=S)NCc2ccc(OC)c(OC)c2OC)c1 225526627 CUDROBZQNCIEFC-UHFFFAOYSA-N 376.478 3.598 0 40 GHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1C[C@@H]1CCCO1 223294590 YYYNEWBYJBSKPU-KNXALSJPSA-N 379.938 3.948 0 40 GHAB COc1ccc(/C=C/C(=O)NCCOc2cccc(C)c2C)c(OC)c1OC 223902109 WMONIIGDJZEOSM-ZRDIBKRKSA-N 385.460 3.538 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1cccc(C)c1 225439455 NCLLHXATMBAUNU-MRXNPFEDSA-N 388.508 3.531 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(F)cc1 222433657 QNYOCRZBVAGDEK-MRXNPFEDSA-N 388.508 3.531 0 40 GHAB CCCCC(=O)NC(=S)Nc1ccc(OC)c(-c2ccc(C(=O)O)o2)c1 226351220 MNZUVQCNSODRGY-UHFFFAOYSA-N 376.434 3.657 0 40 GHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1ccncc1 222727262 NUKHCDKXXFIZAB-UXHICEINSA-N 377.517 3.546 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)Nc2cccc(OC(F)(F)F)c2)cc1 44017771 QEGLBWXDQBOCRZ-UHFFFAOYSA-N 381.354 3.996 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)c1 225730036 AZRGLOVDEHRBBK-HZPDHXFCSA-N 391.581 3.826 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)c1 222685217 KHIQKKRIQGKLBU-UHFFFAOYSA-N 375.490 3.508 0 40 GHAB CCc1ccccc1NC(=O)N1CC[C@]2(CC[C@H](C(=O)N3CCCC3)O2)[C@@H](C)C1 96087383 RDMBXKMWPCDHMD-XTQVGHSUSA-N 399.535 3.663 0 40 GHAB Cc1cc(CN(C(=O)c2cc3n(n2)CCO3)C2CCCC2)c2ccccc2n1 583000193 RUZRJNQBMBHAFJ-UHFFFAOYSA-N 376.460 3.717 0 40 GHAB O=C(Cn1cccn1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257334470 YGASJBZWKFJXPG-MRXNPFEDSA-N 384.867 3.522 0 40 GHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc(O)c2sccc2n1 24600900 UVCLZHQVLGGENT-UHFFFAOYSA-N 397.287 3.774 0 40 GHAB O=C(CCn1cnc2ccccc21)N1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 257299876 RSAQPYMPNRUFHS-OAQYLSRUSA-N 398.470 3.642 0 40 GHAB CNC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)cc1 1124803087 KBAKOOWLEOXSAW-UHFFFAOYSA-N 398.466 3.875 0 40 GHAB O=C(c1cccc(Nc2nccs2)c1)N1CCN(Cc2ccccc2)CC1 96515234 DLTZYZOXQSZVPQ-UHFFFAOYSA-N 378.501 3.845 0 40 GHAB COc1ccccc1-c1nc(C(=O)OCCc2c[nH]nc2C(F)(F)F)cs1 57745044 MJLWGNKADBKBEO-UHFFFAOYSA-N 397.378 3.960 0 40 GHAB COc1cccc(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 5200080 KVRYJMCSOLLLQD-UHFFFAOYSA-N 394.393 3.732 0 40 GHAB O=S(=O)(c1cc(Br)c2cccc3c2c1CCC3)N1CCCC1 11565939 OOBGMOMUKMXRHA-UHFFFAOYSA-N 380.307 3.876 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2cc(F)cc(F)c2)c(OC)c1 12806946 SWJZZBJGXOIBET-SFHVURJKSA-N 376.403 3.758 0 40 GHAB C[C@@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 13669089 FYDOFVLKIHCEDV-MRXNPFEDSA-N 388.533 3.628 0 40 GHAB O=C([C@H]1CN(C(=O)/C=C/c2cccs2)c2ccccc2O1)N1CCCCC1 14067845 UVSXUVPKMAOHSW-GNISGLHKSA-N 382.485 3.568 0 40 GHAB Cc1ccc2oc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)c(C)c2c1 19220398 LXJHGWZNDAPBDV-IBGZPJMESA-N 390.487 3.805 0 40 GHAB O=C(CCOc1cccc(F)c1)N1CC[C@@H](c2nnc(-c3ccsc3)o2)C1 19294242 JQRAYCZVRQXCSV-CYBMUJFWSA-N 387.436 3.722 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)C[C@@H](C)n2nnc3ccccc32)cc1OC 19455246 KJGPCJKZALLNQD-CRAIPNDOSA-N 394.475 3.763 0 40 GHAB CCc1[nH]c(=O)c(C(=O)N[C@H](c2ccccc2)c2ccccc2OC)cc1C 19521464 KEDYOVUPURKWIZ-OAQYLSRUSA-N 376.456 3.774 0 40 GHAB CCn1c(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc2ccccc21 19524387 GULJUBXBNJNUQT-UHFFFAOYSA-N 392.459 3.640 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)cc2N1 19574912 RWYRVQXWHZYZKJ-IXYNUQLISA-N 382.430 3.863 0 40 GHAB COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1cc(C)nc3onc(C)c13)cn2C 19715858 AFAVJVMTXWBRQB-LBPRGKRZSA-N 392.459 3.701 0 40 GHAB CCOc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)ccc1Br 19909578 JOCMNLXJAZUTEA-BXUZGUMPSA-N 376.316 3.705 0 40 GHAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1ccc(F)cc1 5464207 QBKKJCOZSPDNEY-MHWRWJLKSA-N 387.388 3.768 0 40 GHAB COc1cc(/C=C2/N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OCC#N 6478108 PPSGWOZILSVKSS-CXUHLZMHSA-N 382.803 3.904 0 40 GHAB CN1CCCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1 2037845742 JHJZLISRJDOUGM-GOSISDBHSA-N 386.515 3.582 0 40 GHAB O=C(NCc1ccccc1F)c1cccc(C(=O)NCc2ccccc2F)c1 716752 GELNICNIYJASLN-UHFFFAOYSA-N 380.394 3.825 0 40 GHAB O=C1CCc2cc(NS(=O)(=O)c3ccccc3)ccc2N1Cc1ccccc1 8840640 POHIWVYLWNERPJ-UHFFFAOYSA-N 392.480 3.967 0 40 GHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc21 12180411 ISZZAHCJSNCJHN-UHFFFAOYSA-N 392.908 3.971 0 40 GHAB COc1cc(/C=C/C(=O)NCC2(c3ccc(F)cc3)CC2)cc(OC)c1OC 38591360 TWUVLJCQBLPKLQ-RUDMXATFSA-N 385.435 3.713 0 40 GHAB Cc1cccc(Nc2nc(N3CCOCC3)nc3c2cnn3-c2ccccc2)c1 17135423 BEFIYXQNLTULKL-UHFFFAOYSA-N 386.459 3.704 0 40 GHAB CN(C)c1ncccc1C(=O)Nc1ccc(Br)cc1Br 40092978 LIKLCLHUGWVURE-UHFFFAOYSA-N 399.086 3.925 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cccnc2N2CCCCC2)C1 40132052 HZLDMUCGMLKYHH-GOSISDBHSA-N 392.503 3.563 0 40 GHAB CCOc1ccc(CN(C)C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc1 40104621 HTZDRKVPGBNQRP-UHFFFAOYSA-N 392.463 3.738 0 40 GHAB Cc1nc2ccc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)cc2nc1C 32741063 ZPQAPTHZPMAWNN-INIZCTEOSA-N 386.459 3.661 0 40 GHAB COc1ccc2cc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)[nH]c2c1 32759903 LHJLOPMXWTXMMX-CQSZACIVSA-N 375.432 3.590 0 40 GHAB C[C@H](OC(=O)c1ccc(I)cc1)c1ncc(Cl)n1C 32818892 DQOAPYUNUGTWKD-QMMMGPOBSA-N 390.608 3.596 0 40 GHAB Cc1c(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)oc2c1C(=O)CCC2 32915829 PEFWGTQZMXDZEW-UHFFFAOYSA-N 394.349 3.651 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1OC 780925 UHFUBAMOYTWKBN-UHFFFAOYSA-N 389.408 3.624 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)n2C)cc1 880972 RSMSNLMACGCWEP-UHFFFAOYSA-N 394.500 3.562 0 40 GHAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1 905355 RNVYOLIZNLLPSF-OAHLLOKOSA-N 398.488 3.756 0 40 GHAB COc1cccc(C(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)o2)c1 929520 MVFQQUJYVJHDMY-UHFFFAOYSA-N 386.429 3.737 0 40 GHAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 79190027 PZTOTEPCRWBGJJ-QFBILLFUSA-N 386.927 3.735 0 40 GHAB biogenic Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCc1nnsc1Cl 22189319 AAVKQUCRMBSBSD-UHFFFAOYSA-N 383.838 3.764 0 40 GHAB COc1cc(C=O)c(Br)cc1OCC(=O)Nc1ccccc1C 684603 OHYBZARMYRPEMH-UHFFFAOYSA-N 378.222 3.596 0 40 GHAB Cc1ccccc1C1=N/C(=C\c2cccc(I)c2)C(=O)O1 4714049 DPGAUXGQPMUJFC-GDNBJRDFSA-N 389.192 3.944 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1C 7638010 FJDSEEATNRXMDX-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB Cc1cc(Cl)ccc1OCCCC(=O)NC[C@@H]1COc2ccccc2O1 7757159 BQUPITFOFALPTG-MRXNPFEDSA-N 375.852 3.764 0 40 GHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)CC1=O 7928190 HSIOYZIOWCKUJS-KRWDZBQOSA-N 380.444 3.501 0 40 GHAB COc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1 805063 YSKABPWGCVKSQR-UHFFFAOYSA-N 385.423 3.861 0 40 GHAB O=C1c2ccc(I)cc2C(=O)N1c1ccccc1Cl 994275 LSUOLFTVZLVRLL-UHFFFAOYSA-N 383.572 3.745 0 40 GHAB Cc1ccc(-n2ncc3c(N4CCN(Cc5ccccc5)CC4)ncnc32)c(C)c1 54323082 AOUZOFSBYYEANY-UHFFFAOYSA-N 398.514 3.755 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)N(CC)CC 8495443 PABXRVBITGEJSK-SFHVURJKSA-N 384.476 3.973 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)Nc3cccnc3N3CCCC3)o2)cc1 47255161 NTVLOWJVDBKDKD-UHFFFAOYSA-N 377.448 3.612 0 40 GHAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1ccccc1OC 12414324 LBPBLGMOKOCMKP-UHFFFAOYSA-N 395.433 3.636 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)c1cc2cnn(C(C)C)c2nc1C 24696715 GFSZZTOTWSLCTC-UHFFFAOYSA-N 379.464 3.713 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 9062732 PGOBKBREPGMVJI-JOCHJYFZSA-N 389.559 3.809 0 40 GHAB CCOC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)C1 56853785 QVOMNRHCXYZMOW-QWHCGFSZSA-N 387.402 3.687 0 40 GHAB COc1cccc2c1N(CC(=O)N(C)Cc1c(F)cccc1Cl)CCC2 26338518 UXEOTAXIWQDVPD-UHFFFAOYSA-N 376.859 3.899 0 40 GHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)CS(=O)(=O)CCCc1ccccc1 59251960 NLGYPDXYXUYQOI-DFQSSKMNSA-N 379.566 3.611 0 40 GHAB CSc1nc2ccsc2c(=O)n1CC(=O)Nc1ccc(Cl)cc1F 57505010 BNTFXJTULDUKNK-UHFFFAOYSA-N 383.857 3.611 0 40 GHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CSCc1ccc(F)cc1 12557317 CUXBAQBHBOUAMR-UHFFFAOYSA-N 387.524 3.758 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 26896508 HOAFPIDEABJLLC-UHFFFAOYSA-N 387.483 3.605 0 40 GHAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 58218640 FJQQGTQWXNMBNK-INIZCTEOSA-N 377.488 3.728 0 40 GHAB Cn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nnc1-c1ccncc1 3290802 VLIWTTZSMULGSG-UHFFFAOYSA-N 395.532 3.797 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1ccc(NC(=O)C2CC2)cc1 58218665 SQRJIIORSDMNHJ-KRWDZBQOSA-N 388.464 3.591 0 40 GHAB O=C(Nc1ccc(Br)cn1)c1ccc(Cn2cc(Cl)cn2)o1 28227281 YQQNNTQWMHKXPP-UHFFFAOYSA-N 381.617 3.588 0 40 GHAB Cc1nc2ccc(S(=O)(=O)c3ccc4nc(C)c(C)nc4c3)cc2nc1C 2301705 ANMGURZWZISOAS-UHFFFAOYSA-N 378.457 3.639 0 40 GHAB CCCCN(C)S(=O)(=O)c1cc(Br)ccc1Br 36636327 QCHRPPWXSYLSCP-UHFFFAOYSA-N 385.121 3.632 0 40 GHAB CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3cccc(F)c3)N2C1=O 2463469 ISCKENMNYZYBPH-GDBMZVCRSA-N 376.453 3.816 0 40 GHAB COc1cccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1OC 29440053 WQMNUWFCPZVPBM-UHFFFAOYSA-N 397.258 3.721 0 40 GHAB COc1ccc(CNC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)cc1 11856657 UTWDXVXRKGTONT-UHFFFAOYSA-N 399.830 3.811 0 40 GHAB Cc1ccc(C)c(N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 22329031 VIESXNPZRNNJSP-GOSISDBHSA-N 388.533 3.564 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NCC2CC2)c1 29737214 KNLNLNVESUNTRX-UHFFFAOYSA-N 398.406 3.646 0 40 GHAB Cc1ccc(C)c(C(=O)[C@H](C)N2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1 3377042 XMFIOCGDSLUEIX-HJPURHCSSA-N 376.456 3.658 0 40 GHAB COc1ccc(C)cc1NC(=O)COC(=O)CCc1nc2ccccc2s1 3316877 QUNHNORULFSVSD-UHFFFAOYSA-N 384.457 3.728 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(OCc2ccccc2)c1 12817975 XATUTJCRWQXIAG-UHFFFAOYSA-N 399.450 3.774 0 40 GHAB CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 12805557 CKHJLSJENCESKC-UHFFFAOYSA-N 388.423 3.738 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)NCCOc2ccc(Cl)cc2)c(C)c1 12994261 BLXHARZVIAOEEP-UHFFFAOYSA-N 389.883 3.582 0 40 GHAB CC(C)OC(=O)[C@H](C)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C 72303040 MAMCYVPJNGMTTN-CQSZACIVSA-N 391.899 3.967 0 40 GHAB COc1c2c(cc3c1[C@H](C[C@H](OC(C)=O)c1ccccc1)N(C)CC3)OCO2 4029529 HOJWQTIDNXZUOL-ROUUACIJSA-N 383.444 3.647 0 40 GHAB biogenic O=C(N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(Cl)(Cl)Cl 4106008 PUEXVMSSPAOIMY-UHFFFAOYSA-N 375.605 3.724 0 40 GHAB O=c1c(Oc2ccc(I)cc2)coc2cc(O)cc(O)c12 6096765 VPDWPXWRFNHQSY-UHFFFAOYSA-N 396.136 3.601 0 40 GHAB biogenic O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(OC(F)F)cc1 5126942 BPZOJVFOSSNPSY-UHFFFAOYSA-N 379.403 3.986 0 40 GHAB Cc1cccc(-c2c[nH]c3c(SCC(=O)NCc4ccco4)ncnc23)c1 71328138 DGDOVCQEDYINKA-UHFFFAOYSA-N 378.457 3.935 0 40 GHAB CN(C(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2)c1ccccc1 71327981 JISSPWHRWGDXBE-UHFFFAOYSA-N 375.472 3.641 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1Cl)N[C@@H]1CCSc2ccccc21 14095050 HJTIPWARCSTXMK-OAHLLOKOSA-N 395.933 3.857 0 40 GHAB CCOCCCn1/c(=N/C(=O)C[C@H]2OCCc3ccsc32)[nH]c2ccccc21 84801328 RDSNASJTQVJZPI-GOSISDBHSA-N 399.516 3.589 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(F)cc1 14111778 RWHQICXOBDAXSA-FQEVSTJZSA-N 395.434 3.976 0 40 GHAB C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(Br)cc1F 97592195 MFYVTLNLZCCDNB-AWEZNQCLSA-N 391.284 3.935 0 40 GHAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCCCCC1 14248568 NQEVIQZXVZSZIA-QHCPKHFHSA-N 377.488 3.510 0 40 GHAB Cc1ccc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1 14240637 UMSZWBGWWIWBOP-UHFFFAOYSA-N 377.370 3.640 0 40 GHAB Cc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(F)cc2)c(C)c1 9237540 RXMGXAKKIWODBA-ROUUACIJSA-N 397.479 3.740 0 40 GHAB COc1ccccc1-c1noc(COC(=O)c2cnc(Cl)c(Cl)c2)n1 7132726 MTBAENHMTGJSOO-UHFFFAOYSA-N 380.187 3.804 0 40 GHAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1 7221595 MSQKKQMYJZYHMY-NSHDSACASA-N 376.254 3.847 0 40 GHAB CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1 7285512 AIFRGRLYOIIRQO-UHFFFAOYSA-N 392.480 3.808 0 40 GHAB O=c1[nH]c(CNc2ccc3c(c2)OCO3)nc2sc(-c3ccccc3)cc12 7286052 SIMUMEVEOANBON-UHFFFAOYSA-N 377.425 3.992 0 40 GHAB COc1ccc(C(=O)[C@@H](C)OC(=O)CCc2c(C)nc(SC)nc2C)cc1 7437407 NHFLNPIGOJZLHA-CQSZACIVSA-N 388.489 3.571 0 40 GHAB O=C(Nc1ccc(OC(F)F)cc1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 7407067 HBXOVNPNEOYSRR-ZDUSSCGKSA-N 394.805 3.929 0 40 GHAB CC1=NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2N1CC(C)C 15867722 ISQRGJQBHOEJHD-UHFFFAOYSA-N 399.516 3.542 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ncnc2ccsc12 9390090 QYLADPODPWYZJJ-LLVKDONJSA-N 384.486 3.547 0 40 GHAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NCCc1ccccc1 7609087 IOCITYJRZNRPIJ-UHFFFAOYSA-N 386.451 3.575 0 40 GHAB CCn1c(SCC(=O)N2CCS[C@@H]2c2ccccc2F)nnc1C1CC1 9365896 QEWYBCPFCZVULX-QGZVFWFLSA-N 392.525 3.681 0 40 GHAB COc1ccc(CCNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1OC 8073031 JSPSOPDELDLSMH-UHFFFAOYSA-N 391.471 3.739 0 40 GHAB CCOc1ccc([C@H](O)CCN[C@@H](CC(=O)O)Cc2c[nH]c3ccccc23)cc1 27517064 PWGVXUZCZYESMS-XMSQKQJNSA-N 396.487 3.666 0 40 GHAB CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1 16752303 CKUVALHSZFCVIO-FQEVSTJZSA-N 393.439 3.509 0 40 GHAB O=C(c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCCC1 8269933 SHMSUHUHMHEVNE-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB CC(=O)N1CCCc2cc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)ccc21 70012555 BTOZCUBLDLZETI-OAQYLSRUSA-N 391.515 3.836 0 40 GHAB CC(C)CCC[C@H](C)NC(=O)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 9421360 ZBSQSVMTLKUKFT-ZDUSSCGKSA-N 392.935 3.554 0 40 GHAB O=C(CN1CCC[C@@H]1c1cccs1)NC1CCN(Cc2ccccc2)CC1 8341050 KTDMKRMUGHALRX-HXUWFJFHSA-N 383.561 3.666 0 40 GHAB CC[C@H](C)Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 17167003 AUWLBIBQRHWFGW-QXGSTRBFSA-N 380.469 3.643 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1ccccc1C 17112877 KBOVAGYOCVGYFW-VLIAUNLRSA-N 394.475 3.517 0 40 GHAB CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccccc1 20798668 NCTBQHZAUNAAJV-IBGZPJMESA-N 392.455 3.511 0 40 GHAB O=C(Nc1ccccc1Cl)[C@@H]1CSCN1C(=O)OCc1ccccc1 408736913 JRASWKQZPHEEDV-INIZCTEOSA-N 376.865 3.990 0 40 GHAB COC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1C 38858177 KYSMFNSKBCOEME-KRWDZBQOSA-N 384.451 3.771 0 40 GHAB CC[C@H](NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccccc1 30850469 KPUXVDSVSSCCJA-KRWDZBQOSA-N 394.924 3.682 0 40 GHAB Cc1cc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(C)c1 33145490 UDFFNEPPVQOJPH-GOSISDBHSA-N 386.517 3.651 0 40 GHAB CN1c2ccc(C(=O)NC3CCCCCC3)cc2-c2ccccc2S1(=O)=O 33088680 HZTIGZGFJMUCBE-UHFFFAOYSA-N 384.501 3.945 0 40 GHAB CCc1c(C)sc2nc(N3CCOCC3)n3nc(Cc4ccccc4)nc3c12 32094345 WAEPNYYMHHVSEN-UHFFFAOYSA-N 393.516 3.637 0 40 GHAB COc1cccc(-c2cc(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)n[nH]2)c1 72328236 PGXRFIPMSSLLAT-CYBMUJFWSA-N 381.432 3.594 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 223194063 GINVCDISERVPTJ-SFHVURJKSA-N 376.859 3.575 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C 224133949 QEGWUTXXRBLFNJ-HXUWFJFHSA-N 382.504 3.626 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 44903865 BVSABBYBHDHCMZ-GFCCVEGCSA-N 396.896 3.601 0 40 GHAB CC(C)n1c(=O)sc2cc(NC(=O)CCc3ccc4c(c3)OCCO4)ccc21 225175544 XUJFYKKMIKAOKX-UHFFFAOYSA-N 398.484 3.986 0 40 GHAB Cc1cc(F)c2c(c1)CCCN2C(=O)CCCN1C(=O)c2ccc(C)cc2C1=O 40139052 HLZMJJYMFJVHOU-UHFFFAOYSA-N 394.446 3.798 0 40 GHAB c1ncc(-c2nc(-c3ccsc3)no2)c(NCc2ccc3c(c2)OCO3)n1 225579740 NTWOTZXBEYMSGP-UHFFFAOYSA-N 379.401 3.596 0 40 GHAB Cc1ccc(CN(CCCn2ccnc2)Cc2cncc3c(Cl)n[nH]c23)o1 43277777 XRWBTUGDIOAROJ-UHFFFAOYSA-N 384.871 3.802 0 40 GHAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 225452739 DHDVIMZYAJHEEG-JOCHJYFZSA-N 380.532 3.914 0 40 GHAB COc1cc(C(=O)Nc2cccc(C(=O)c3ccncc3)c2)cc(OC)c1OC 41107842 KMPQQGVOKUEYLW-UHFFFAOYSA-N 392.411 3.591 0 40 GHAB CCCNC(=O)c1ccc(Nc2ccc(I)cc2)c(N)c1 225424952 HHRWEMCKJOLPHI-UHFFFAOYSA-N 395.244 3.757 0 40 GHAB CN1C(=O)CC[C@H](C(=O)NCCCc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 223281989 RXLBWDSAGHTJJE-FPOVZHCZSA-N 386.442 3.623 0 40 GHAB Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(=O)NCCc1cccnc1 96147616 BSRYCXRZDHDGRN-UHFFFAOYSA-N 383.455 3.517 0 40 GHAB Cc1ccc(-n2ncc(C(=O)N(C)Cc3cnn(C)c3)c2C2CC2)cc1Cl 24482875 GLLXXUFKOYRKIY-UHFFFAOYSA-N 383.883 3.717 0 40 GHAB Cc1cccc(N2[C@H]3CCN(CC(N)=O)C[C@H]3C[C@@]2(C)Cc2cccc(F)c2)c1 257205303 AYLDUPUYEUKCLC-WNOPAQSVSA-N 395.522 3.521 0 40 GHAB O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1ccc(Br)cn1 589880660 RXPZVSIJIBTGNN-SFHVURJKSA-N 388.309 3.801 0 40 GHAB Cc1ccccc1Oc1cc(F)cc(F)c1NC(=O)NC1COCCOC1 621518152 RZQVQVXZOFQFQP-UHFFFAOYSA-N 378.375 3.602 0 40 GHAB Cn1cc([C@@H]2OCC[C@H]2CNC(=O)N[C@@H]2CCCc3ccc(Cl)cc32)cn1 624208914 GAUWHGQWPOGEBB-GDIGMMSISA-N 388.899 3.528 0 40 GHAB CCN1CCN(c2ccc(CN[C@H](C)c3cc4ccncc4s3)cn2)CC1 657839688 YWFCBJJWVKWHKX-MRXNPFEDSA-N 381.549 3.684 0 40 GHAB O=C(CSc1ccc(F)cc1)NCCn1nc(-c2ccccn2)cc1C1CC1 96121726 HTWHLAONNJVMHY-UHFFFAOYSA-N 396.491 3.870 0 40 GHAB CCOC(=O)c1sc(NC(=O)N2CCC[C@H](C)C2)c(C(=O)OCC)c1C 24562515 WRLBNWVHEOKEOA-NSHDSACASA-N 382.482 3.674 0 40 GHAB Cc1ccc(C)c(CN2CCOC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 585103652 FDAQCXRUASOYPV-QHCPKHFHSA-N 382.479 3.698 0 40 GHAB CC1(C)CCC[C@H](CNC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)C1 1564934091 SBPSVDSZYXUTOW-IBGZPJMESA-N 385.552 3.941 0 40 GHAB Cc1noc(C)c1C(=O)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1776001511 XDNVQIYFEDHXEX-ZDUSSCGKSA-N 383.370 3.636 0 40 GHAB COc1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cc1Cl 5404968 PKICRFNFLAQHBD-UHFFFAOYSA-N 376.865 3.816 0 40 GHAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N(C)C)c(Cl)cc23)cc1 11865521 HSMLPRGUDUIFHB-UHFFFAOYSA-N 387.819 3.589 0 40 GHAB CO[C@@H](C(=O)N1CCC[C@H](c2ncncc2-c2cc(C)no2)C1)c1ccccc1 12118417 ZWBKPSROYNQVAN-LAUBAEHRSA-N 392.459 3.534 0 40 GHAB Cc1ccn2cc(-c3cccc(NC(=O)CNC(=O)c4ccccc4)c3)nc2c1 13568824 VCXGJZGSCXSHTA-UHFFFAOYSA-N 384.439 3.678 0 40 GHAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@H](C)c1ccccc1 14484841 PFHLIAXQMHHZAW-JXFKEZNVSA-N 385.483 3.714 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 15638717 APADUQXCFAGDCD-CQSZACIVSA-N 388.851 3.510 0 40 GHAB COc1ccc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OC 16093375 UAZHANUJXZEKQU-UHFFFAOYSA-N 390.288 3.532 0 40 GHAB O=C(Nc1ccc(Br)cc1F)c1cccc(N2CCCC2=O)c1 18079006 MPDJILIOWFMQML-UHFFFAOYSA-N 377.213 3.967 0 40 GHAB COc1ccc(CN2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)cc1O 19120760 QNEPJOGDVSIGHN-AWEZNQCLSA-N 386.477 3.595 0 40 GHAB CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@@H](NC(=O)c2cnccn2)C1 19461658 VEADQKPHEUBWLI-KRWDZBQOSA-N 395.894 3.818 0 40 GHAB COc1ccc(CN2CCC[C@@H](c3noc(-c4cnccn4)n3)C2)c(C)c1C 19577369 CSITZRKBZZTMEO-QGZVFWFLSA-N 379.464 3.532 0 40 GHAB CN(C(=O)COc1ccc(F)cc1)C1CCC2(CC1)CNCc1ccccc1O2 19586652 OOFYWHMQKOCPGK-UHFFFAOYSA-N 398.478 3.527 0 40 GHAB CCC(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(=O)NC)CC1 19700069 ACGAJAKFQMHNIM-UHFFFAOYSA-N 382.479 3.800 0 40 GHAB COc1cccc([C@@H]2c3ccccc3CCN2CC(=O)Nc2cc(C)on2)c1 19715916 IISHRMJEGPZHSS-JOCHJYFZSA-N 377.444 3.578 0 40 GHAB CCOC(=O)C1CCN(c2ncc(-c3ccncc3)c(-c3ccoc3C)n2)CC1 12222158 AUIJRSZWYIWIDG-UHFFFAOYSA-N 392.459 3.887 0 40 GHAB C[C@@H](NC(=O)c1ccccc1NC(=O)COC(=O)C1CCCC1)c1ccccc1 5507692 WESMGRZWWAFWBY-MRXNPFEDSA-N 394.471 3.850 0 40 GHAB O=C([C@@H]1COc2ccccc2O1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 6787129 KZVFLNAUWVSRGB-KDOFPFPSSA-N 396.468 3.648 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2nc(C(C)C)ns2)CC1 1888888048 VZGGSVPBTDKAGG-UHFFFAOYSA-N 383.521 3.596 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@](O)(c1ccsc1)c1ccco1 239846316 LBOHMYNVKDUXLX-KRWDZBQOSA-N 397.905 3.517 0 40 GHAB CCOC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1 2720883 XFULQEQUIHDDMS-UHFFFAOYSA-N 397.431 3.661 0 40 GHAB COc1ccccc1C(=O)Oc1coc(CSc2nc(C)cc(C)n2)cc1=O 4377186 DIWAETXUPQTENH-UHFFFAOYSA-N 398.440 3.567 0 40 GHAB Cc1cccc(COn2cccc(C(=O)Nc3cc(Cl)ccc3C)c2=O)c1 5054877 FDTMMDPOXHGXLY-UHFFFAOYSA-N 382.847 4.000 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@H](c1ccccc1Cl)N(C)C 40012770 DHUKJEWOAWQZSK-FQEVSTJZSA-N 390.959 3.771 0 40 GHAB COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1F 30325673 JUNVKDVNVOLCCX-UHFFFAOYSA-N 387.835 3.980 0 40 GHAB Cc1ccc([C@H](C)NC(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)o1 51276541 TYSBKNPCPOUASL-AWEZNQCLSA-N 375.494 3.623 0 40 GHAB COc1ccccc1NC(=O)[C@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32087962 KHDOLZXUPWMOLK-MRXNPFEDSA-N 380.379 3.869 0 40 GHAB Clc1ncn(C23C[C@H]4C[C@@H](CC(c5nnc(-c6ccccn6)o5)(C4)C2)C3)n1 102444007 NTUHJLXLSWUPTE-IJKBLAIYSA-N 382.855 3.624 0 40 GHAB Cc1nnc2sc(C(=O)Nc3cccc(Br)c3)c(N)c2c1C 32929441 TUSVOTYVPJRHON-UHFFFAOYSA-N 377.267 3.905 0 40 GHAB O=C(Nc1ccc(Br)cc1F)[C@@H]1CC(=O)N(c2ccccc2)C1 665331 ZUULXEODUSCAPF-LLVKDONJSA-N 377.213 3.580 0 40 GHAB COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccccc1Cl 908196 XJJHHSFUDCZHCZ-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB O=C(NCCc1ccccc1)c1ccc(C(=O)NCCc2ccccc2)s1 1072479 ZPDYFZMOCXSQQQ-UHFFFAOYSA-N 378.497 3.693 0 40 GHAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3OC)nc2)cc1 1353061 WNPCFJMNIMTNBT-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB COc1cccc(C(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)c1 1379174 VITDAVBZEAYHNH-UHFFFAOYSA-N 384.486 3.939 0 40 GHAB COc1ccccc1N1CCN(c2ncnc3c4cc(C)ccc4n(C)c23)CC1 2449939 APYGDEHJSKSJAT-UHFFFAOYSA-N 387.487 3.765 0 40 GHAB NC(=O)CSc1nnc(-c2cccs2)n1-c1cccc(C(F)(F)F)c1 2700576 MVSVRTQFMFGLAI-UHFFFAOYSA-N 384.408 3.592 0 40 GHAB O=C(CSc1nnc(COc2ccccc2)o1)N1CCCc2ccccc21 2720447 JZBWGADVDOYDSP-UHFFFAOYSA-N 381.457 3.720 0 40 GHAB CCCCn1c(SCc2ccccc2)nc2cc(S(N)(=O)=O)ccc21 3350823 VUGRLRRHHLRGQG-UHFFFAOYSA-N 375.519 3.776 0 40 GHAB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cccc(C(F)(F)F)c1 3352169 YDIVCDZKYQZAQO-SNVBAGLBSA-N 381.306 3.618 0 40 GHAB COc1ccc(C(=O)[C@H](CCC(=O)O)c2ccc(OC)c(OC)c2)cc1OC 3844232 MCMLCPCIKYMVNR-OAHLLOKOSA-N 388.416 3.552 0 40 GHAB biogenic Cc1c(CC(=O)NCc2ccco2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 4089427 ZSUIZMJRPSWSOY-UHFFFAOYSA-N 381.428 3.657 0 40 GHAB biogenic CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1 4162605 MFHWPUOZTCVZLE-UHFFFAOYSA-N 399.399 3.888 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccccc3)ns2)cc1 4167282 JKOADOJQDVWJRV-UHFFFAOYSA-N 384.486 3.894 0 40 GHAB Cc1ccccc1NC(=O)C(=O)NCCc1sc(-c2ccc(F)cc2)nc1C 4375226 VMIICANPHSKDLU-UHFFFAOYSA-N 397.475 3.863 0 40 GHAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 4667064 LBCGYEUXXDUVRK-UHFFFAOYSA-N 391.489 3.724 0 40 GHAB Cc1c(NC(=S)NC(=O)c2ccc(Br)cc2)cccc1C(=O)O 4674702 GPLFCKIWIXTYMQ-UHFFFAOYSA-N 393.262 3.583 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)c1 4735958 JFCNCPREKVBSAK-UHFFFAOYSA-N 382.489 3.838 0 40 GHAB Cc1c(CCC(=O)N2CCOCC2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 4743873 OGOKGFPJONEFCN-UHFFFAOYSA-N 397.471 3.937 0 40 GHAB C[C@H](CC(=O)[C@@H]1CC(c2ccccc2)=NO1)C(=O)[C@@H]1CC(c2ccccc2)=NO1 4826579 MHGINERDKHNSHR-YDFBLROQSA-N 390.439 3.537 0 40 GHAB Cc1cc(N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)ccc1Br 5119370 SRGBCPNBIHPVQS-NSHDSACASA-N 377.238 3.925 0 40 GHAB CN(C(=S)NC[C@@H]1CCCO1)[C@@]1(c2ccccc2Cl)CCCCC1=O 5127208 NPBKRIYVMRTXJL-IFXJQAMLSA-N 380.941 3.664 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1cccn(Cc2ccccc2F)c1=O 5270443 GPTZMKACFDAAFB-UHFFFAOYSA-N 386.810 3.950 0 40 GHAB CC(=O)Nc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 5345322 ZDKBOUGMCOPCKC-UHFFFAOYSA-N 390.439 3.987 0 40 GHAB CC(C)[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCCCO2 5453063 HFNBCIGPGYEQEP-SFTDATJTSA-N 383.444 3.501 0 40 GHAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(-n2cnnn2)c1 5488702 QGKMETGZANWMDE-UHFFFAOYSA-N 392.246 3.767 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3ccccn3)n2)cc1 5692675 GGJBMKXBKFFNFC-CYBMUJFWSA-N 381.457 3.952 0 40 GHAB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccn1 6323732 SLEZGSJONNDJLW-CIAFOILYSA-N 385.265 3.779 0 40 GHAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1F 6744942 GFTVSBQOFBIBBW-OAQYLSRUSA-N 395.434 3.893 0 40 GHAB COc1ccc(NC(=O)C[C@H](C)NC2CCN(Cc3ccccc3)CC2)cc1 6787586 LPSZLGKSUSHCHR-SFHVURJKSA-N 381.520 3.667 0 40 GHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2C)cc1 6880282 RBMBLPQWIDKVOA-UHFFFAOYSA-N 394.924 3.908 0 40 GHAB O=C(CSc1nc2sccc2c(=O)n1-c1ccccc1)NC1CCCCC1 6907559 DNZVXNCLTKAROV-UHFFFAOYSA-N 399.541 3.988 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCc1cccc(C)c1 6951523 KSEYYMJFQKQRQI-LDADJPATSA-N 380.444 3.885 0 40 GHAB COc1ccccc1CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 7318945 MAJCFSAFVKWIMM-UHFFFAOYSA-N 387.439 3.852 0 40 GHAB CN(C(=O)CSc1nnc(-c2cccnc2)o1)[C@@H]1CCCc2ccccc21 7719496 JDMAUPQKWQXBKL-QGZVFWFLSA-N 380.473 3.760 0 40 GHAB CN(CCCNc1cnn(-c2ccccc2)c(=O)c1Cl)Cc1ccccc1 7902128 BHXOTBIEQSSENU-UHFFFAOYSA-N 382.895 3.820 0 40 GHAB CCOc1cc(Br)c(COc2ccc(C(N)=O)cc2)cc1OCC 7932031 ZCDUWRVBINIDGT-UHFFFAOYSA-N 394.265 3.924 0 40 GHAB CCc1ccccc1NC(=O)CNC(=O)c1ccccc1C(=O)c1ccccc1 7963950 YQBJOFDOAGLFER-UHFFFAOYSA-N 386.451 3.849 0 40 GHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccco3)C2=O)cc1 8157474 ZNVSZRFCBYMLHR-NKJMRRHMSA-N 384.413 3.519 0 40 GHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(CN2CCCC2)cc1 8733783 IQOMYSXIHFEHNQ-QGZVFWFLSA-N 381.476 3.536 0 40 GHAB O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCc1ccccn1)c1ccccc1 8979387 XZOANJPKBYIZOH-MRXNPFEDSA-N 392.484 3.527 0 40 GHAB O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCCc1ccccc1)c1ccccc1 9131223 ZXQYCDSNTYJRQT-QGZVFWFLSA-N 391.496 3.784 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](c1cccc(F)c1)c1nccn1C 9154125 IHYMWRFBXISHFN-FZKQIMNGSA-N 387.842 3.886 0 40 GHAB COc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 9232093 ZKQIZPKWSLEGIN-UHFFFAOYSA-N 398.640 3.941 0 40 GHAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1nc(-c2ccccc2)cs1 9236350 NYOCMMQVJRVYKL-UHFFFAOYSA-N 399.859 3.828 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 9552218 HGEUDERXSSRANY-UHFFFAOYSA-N 394.427 3.757 0 40 GHAB CC(C)(C)[C@H]1CCc2onc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1 9597927 VPVDURKBXGMNPX-HNNXBMFYSA-N 385.483 3.927 0 40 GHAB Cc1ccc(SCCNC(=O)Cn2c(S)nnc2-c2ccc(C)cc2)cc1 9889115 PDRHCFNQFAIQRN-UHFFFAOYSA-N 398.557 3.759 0 40 GHAB Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 9955447 KRWJMZIHPAHGKM-UHFFFAOYSA-N 380.372 3.979 0 40 GHAB CCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)cc1 10556208 BJKABDMZIGVBSU-UHFFFAOYSA-N 392.444 3.682 0 40 GHAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(C)c(C)c3)CC1)O2 12293550 HFIBPYNGULSOGC-VXKWHMMOSA-N 381.516 3.996 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1 12406703 YMJFZUHSUCDDAV-IBGZPJMESA-N 389.455 3.861 0 40 GHAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1sc2ccccc2c1Cl 12514976 GOMWLCWAFCDJJW-UHFFFAOYSA-N 378.906 3.765 0 40 GHAB COc1ccc([C@@H](NC(=O)Cc2ccc(N3CCCC3=O)cc2)C(C)C)cc1 12788357 JPKQHSRLXPQMEY-QHCPKHFHSA-N 380.488 3.878 0 40 GHAB O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl 12902519 UZMDXBULMZURDG-UHFFFAOYSA-N 386.807 3.546 0 40 GHAB C[C@@]1(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)s2)CCS(=O)(=O)C1 12903392 DCAHCJLAHVCIGA-PDFOZTTASA-N 395.933 3.775 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cl)c(Cl)c1 12914713 LSSAGVWCYGBLQU-UHFFFAOYSA-N 387.288 3.561 0 40 GHAB CCc1ccc(CN(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 12997219 MDAANGLMRXNZLR-UHFFFAOYSA-N 381.501 3.547 0 40 GHAB O=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)Nc1ccc(Cl)cc1 13116519 SZLPLTUELZPYPU-UHFFFAOYSA-N 393.896 3.907 0 40 GHAB Cc1cc2nc(COc3cccc(NC(=O)c4ccccc4F)c3)cc(=O)n2o1 13368478 RIYZAIUPMWTMDC-UHFFFAOYSA-N 393.374 3.566 0 40 GHAB O=C(c1ccccc1NS(=O)(=O)c1ccccc1)N1CCc2ccccc21 13612057 FJIYCZGSAKGFKF-UHFFFAOYSA-N 378.453 3.690 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 14933039 VGHURNMUUAEMFG-UHFFFAOYSA-N 386.455 3.555 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2nnc3c4ccccc4cnn23)cc1 15535015 JACDYDBGFCEXII-SJFMBGHLSA-N 399.454 3.663 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 16248548 DYVMAAAOSPXUQQ-UHFFFAOYSA-N 394.496 3.901 0 40 GHAB C[C@H](Cn1cc(Cl)cn1)C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 19457286 AKJYQENUUIQUKH-HUUCEWRRSA-N 379.863 3.629 0 40 GHAB COc1ccc(CCC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)cc1 19589220 OQVXHXNRUKWISI-CQOQZXRMSA-N 396.506 3.856 0 40 GHAB CO[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2)C1 19657346 XGTGZRXYKJLWDG-AEFFLSMTSA-N 379.464 3.552 0 40 GHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2Cc1cn(C)nc1C 19712908 SJLMGKPENSANNQ-SMIHKQSGSA-N 394.563 3.705 0 40 GHAB Cc1ccc(C)c([C@@H]2CCCN2CC(=O)Nc2ccc3c(c2)oc(=O)n3C)c1 19715480 FIDVTQWEFZFMMQ-SFHVURJKSA-N 379.460 3.524 0 40 GHAB O=C(Cn1nc(-c2ccccc2)c2c(c1=O)CCCC2)Nc1ccccc1F 20095769 XBXMQWPHMSSWPD-UHFFFAOYSA-N 377.419 3.567 0 40 GHAB CCCn1c(CN2CCN(c3ccccc3)CC2)nc2cc(NC(C)=O)ccc21 20623402 WXMKEWJNAZQCDY-UHFFFAOYSA-N 391.519 3.727 0 40 GHAB CC(C)c1nnc2ccc(N3CCC(C(=O)NC4CCCCCCC4)CC3)nn12 20737332 LEVKLKBVDWKMRU-UHFFFAOYSA-N 398.555 3.693 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc(F)cc1 20798516 ATQGOCJUQCHMHC-GOSISDBHSA-N 396.418 3.654 0 40 GHAB COCCN(Cc1ccco1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 25095233 XIFDQRQTRDUCCJ-UHFFFAOYSA-N 384.457 3.882 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)OCc3nc4ccccc4s3)CC2=O)cc1F 26364869 HFMUZYQGSNGRHP-ZDUSSCGKSA-N 384.432 3.840 0 40 GHAB CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cc(C)sc1C 26540581 IZMKIAJWCFWARN-UHFFFAOYSA-N 382.507 3.774 0 40 GHAB Cc1cccc(N(Cc2nnc3n2CCCCC3)S(=O)(=O)c2ccccc2)c1 27526261 GMZOJLNDNKSOEJ-UHFFFAOYSA-N 396.516 3.708 0 40 GHAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1OCc1ccccc1 28464424 AKLPMGJMIJWVBL-FQEVSTJZSA-N 390.443 3.709 0 40 GHAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl 32610030 PCULGVGHWNMKOC-KBPBESRZSA-N 379.819 3.553 0 40 GHAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)Nn1cnc2ccccc21 32865789 DYKDRKBXRBQLKN-UHFFFAOYSA-N 383.883 3.607 0 40 GHAB Cc1nc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)n(C2CC2)c1C 32894150 BSBFXNPRGJULBA-ZDUSSCGKSA-N 387.505 3.576 0 40 GHAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N2CCCC2)o1 36397792 BRMRVIMGHFIDEV-UHFFFAOYSA-N 389.260 3.623 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 36410233 JNXPGYCXYLDKQP-MDZRGWNJSA-N 378.538 3.558 0 40 GHAB CCn1ncc(CN(C)c2nc(-c3cnn(CC)c3C)cc(C(F)F)n2)c1C 36613962 WUTQJFLDBAAEMA-UHFFFAOYSA-N 389.454 3.767 0 40 GHAB CC(C)n1ncc2cc(C(=O)OCc3nc(-c4ccc(F)cc4)no3)cnc21 40024554 LFPNRKKRIYZXAY-UHFFFAOYSA-N 381.367 3.558 0 40 GHAB COc1cc2cc(C(=O)NCCOc3c(C)cccc3C)[nH]c2c(OC)c1OC 40113783 PBMIFUUTJNBXDY-UHFFFAOYSA-N 398.459 3.619 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 40117396 STLXIOIKCRETHP-LJQANCHMSA-N 375.465 3.891 0 40 GHAB NC(=O)COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)c1 40284390 XAZAIZMJVYLVNZ-MRXNPFEDSA-N 396.834 3.513 0 40 GHAB CNC(=O)[C@H]1CN(C(=O)c2ccc(-c3ccccc3F)s2)c2ccccc2O1 46170506 DCIBLXNQTQYTRU-QGZVFWFLSA-N 396.443 3.708 0 40 GHAB O=C(NCc1cc(Br)cs1)N1CCN(c2ccccc2)CC1 47041207 WUBODWIZKOSKMY-UHFFFAOYSA-N 380.311 3.542 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccncc2)CC1 47325209 AFTHKGKMIHQZOU-UHFFFAOYSA-N 378.398 3.887 0 40 GHAB O=C(Cc1ccccc1)Nc1cc(NC(=O)NCc2cccnc2)ccc1F 47627679 CGFODTNNLLRIMN-UHFFFAOYSA-N 378.407 3.724 0 40 GHAB COc1ccc2c(c1)NC(=O)[C@]21Nc2ccccc2C(=O)N1c1ccc(F)cc1 48333199 QWRHUWRKFZQSBP-QFIPXVFZSA-N 389.386 3.712 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 51356008 SIPWWEWMGDHJEV-UHFFFAOYSA-N 396.321 3.923 0 40 GHAB CC(C)(C)c1cn2nc(NCCc3cc(F)cc4c3OCOC4)sc2n1 54058945 MOISOXXWQYIXTO-UHFFFAOYSA-N 376.457 3.749 0 40 GHAB O=C(Nc1nncs1)c1ccc(Oc2ccc(Br)cc2)nc1 58209542 UWOSVSZHTKMWNV-UHFFFAOYSA-N 377.223 3.740 0 40 GHAB Cc1nc2cc(F)cc(C(=O)NCC(C)(C)c3ccc4c(c3)OCO4)c2nc1C 58417343 MYAROLUCIVFRAK-UHFFFAOYSA-N 395.434 3.822 0 40 GHAB O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1Cl 67298644 FJNJRVAFCUZJJT-QOHUBZANSA-N 398.846 3.933 0 40 GHAB CC(C)NC(=O)c1ccccc1NC(=O)Cc1cccc(Br)c1 72068759 ZBCYWKZMOJQADG-UHFFFAOYSA-N 375.266 3.769 0 40 GHAB C[C@@H](CN1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1)c1ccccc1 72341396 HSDBRFIPQLBPBP-LEUOFYLZSA-N 375.467 3.784 0 40 GHAB Cc1cccnc1Nc1ccc([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)nc1 72353338 SFTXCXFVVJCOHK-QGZVFWFLSA-N 390.491 3.590 0 40 GHAB O=C(CN1CC(c2nc(-c3cccc(Cl)c3)no2)C1)Nc1cccc(F)c1 77190893 FCORBILADGTEJQ-UHFFFAOYSA-N 386.814 3.567 0 40 GHAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)n1cccc1 89573869 QKCIZXZBHLEGRT-AWEZNQCLSA-N 377.400 3.669 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 89821452 CBNNABCBXNRFTF-DUVHGLKDSA-N 380.473 3.609 0 40 GHAB Cc1c(C(=O)N2CCCSC[C@H]2CN2CCCCC2)cnn1-c1ccccc1 90609043 KRSMSBOFCJIALX-HXUWFJFHSA-N 398.576 3.614 0 40 GHAB O=C(CSc1ncccc1-c1nc(-c2ccc(F)cc2)no1)N1CCCC1 90610097 ZWNHVXUDCMCROV-UHFFFAOYSA-N 384.436 3.652 0 40 GHAB CC(=O)Nc1ccc(F)c(C(=O)N2CCC(CN3CCc4ccccc43)CC2)c1 95957472 GHVZUJKLZXPWHW-UHFFFAOYSA-N 395.478 3.699 0 40 GHAB O=C(Nc1ccc(NC(=O)c2cccc(OCC(F)F)n2)cn1)c1ccccc1 95976513 ZKHMFAMQOOSULY-UHFFFAOYSA-N 398.369 3.625 0 40 GHAB COc1ccc(C(=O)Nc2c[nH]nc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)cc1 95998775 YKWSBEJXGCYGAU-QGZVFWFLSA-N 396.491 3.567 0 40 GHAB O=C(CCc1cccnc1)N1CC2(CCN(CCCc3ccccc3)CC2)C1 96071004 VGJRQIJDGGBBMM-UHFFFAOYSA-N 377.532 3.571 0 40 GHAB CCOc1ccccc1C(=O)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96099573 VDUOPAHSIDLOEZ-JJTKIYQPSA-N 399.512 3.695 0 40 GHAB Cc1cccc(C(=O)N2C[C@@H](C(=O)Nc3ccccc3)C3(CCOCC3)C2)c1 96241118 AUFHKOMTDSJTLD-FQEVSTJZSA-N 378.472 3.503 0 40 GHAB CN(C)c1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(Cl)cc3)C2)cc1 97104995 YQWBDSJFSRPQAK-GOSISDBHSA-N 377.897 3.517 0 40 GHAB CC(C)[C@H](NCc1cccc(F)c1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769458 BJQCOQFQJCHSGD-QFIPXVFZSA-N 398.482 3.955 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C=C(c2ccccc2)Nc2nnnn21 102272132 ZSADFCBJRJSSAR-KRWDZBQOSA-N 389.850 3.877 0 40 GHAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)OCC(=O)c1cc(C)sc1C)(C3)C2 102399704 BIIBLEVIIICQLI-AJHHTPGJSA-N 389.517 3.566 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)N1CCc2cc(Br)ccc21 222981109 AFMWCRXPXFVWGO-UHFFFAOYSA-N 382.279 3.518 0 40 GHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 223002253 SEYDNEJSFNOUIB-IBGZPJMESA-N 395.459 3.836 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C 223106249 MOGXUXDPYQWDKI-SFHVURJKSA-N 388.895 3.581 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2C)cc1 223169866 CJPSVWKXCVDQFL-UHFFFAOYSA-N 398.937 3.630 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 223532965 WUOCDIIRLYMFNW-LJQANCHMSA-N 382.504 3.707 0 40 GHAB CCc1cc(S(=O)(=O)NCCOc2ccccc2C(C)C)ccc1OC 223830381 ZBGWGOFHCXNGGO-UHFFFAOYSA-N 377.506 3.738 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223871035 SJQTUUHFLNYWPF-LPHOPBHVSA-N 389.517 3.742 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 225214215 YNVFSVSYZWTTIX-SFHVURJKSA-N 384.545 3.700 0 40 GHAB COc1ccc(N2N[C@](C)(c3ccccc3Br)NC2=S)cc1 225343781 CFZUCDJIYONRPX-MRXNPFEDSA-N 378.295 3.530 0 40 GHAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 225399634 OLPKUCICVMABBO-UHFFFAOYSA-N 380.444 3.773 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 244114122 UJIJMGUSWXWPRE-UHFFFAOYSA-N 396.459 3.801 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)ncn1 257227932 FRPBIKWJKSFKOI-QGZVFWFLSA-N 394.450 3.521 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCc2ccccn2)[C@@H]1c1ccccc1Cl 257265717 MAACNLLKUKTBEY-NQIIRXRSSA-N 399.922 3.736 0 40 GHAB NC(=O)C[C@H]1CN(C(=O)/C=C/c2ccccc2)CC[C@@H]1Oc1ccc(Cl)cc1 257343486 ZTFNPROROPKYRQ-OFCNEKEDSA-N 398.890 3.525 0 40 GHAB O=C(CSc1nnc(COc2ccccc2F)o1)N1CCCc2ccccc21 408546961 PRMDRWMIGUUOKI-UHFFFAOYSA-N 399.447 3.859 0 40 GHAB Cc1ccc(CC(=O)N2N=C(c3ccc(F)cc3)C[C@]2(O)C(F)(F)F)cc1 408734529 YEAAIBBSYGDPCB-SFHVURJKSA-N 380.341 3.564 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(F)c3C)o2)cc1 409015197 OFXHEYCKYULUPG-UHFFFAOYSA-N 387.436 3.847 0 40 GHAB Cc1cn(C2CCCCC2)[nH]c1=NC(=O)N1Cc2ccccc2N(C)C[C@@H]1C 543294642 TXTGWLUNMLSVAS-KRWDZBQOSA-N 381.524 3.991 0 40 GHAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N4C[C@@H]5[C@@H](C4)[C@H]4C=C[C@H]5O4)cc3)o2)c1 564776897 FEWXHIPJNVXBFA-XRXFAXGQSA-N 399.450 3.737 0 40 GHAB Cc1c(C(=O)O)c(N2CCN(Cc3ccccc3)[C@@H](C)C2)nc2ccccc12 566290270 DOXYDSXBPNSGQL-INIZCTEOSA-N 375.472 3.952 0 40 GHAB Cc1cc(CS(=O)(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)on1 568357331 AKYKTAXINKUAJN-UHFFFAOYSA-N 386.876 3.513 0 40 GHAB Cc1nc(NC(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)ccc1-c1ccccc1 582888850 RIWQBRIPNVICBH-MJGOQNOKSA-N 391.475 3.832 0 40 GHAB COc1ccc([C@@H](CN(C)C)NCc2cc(Cl)c3c(c2)OCCO3)cc1 585081182 DXAROIVVGIIHCG-GOSISDBHSA-N 376.884 3.512 0 40 GHAB Cn1ncc(C(F)(F)F)c1CNC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 623983445 ALUQHMIFJAKGLP-DOTOQJQBSA-N 388.393 3.947 0 40 GHAB CCCc1c(NC(=O)N2CC[C@@H](C(=O)O)[C@H](C)C2)cnn1-c1cccc(C)c1 630569485 YSYHRBKWESLGEW-NVXWUHKLSA-N 384.480 3.708 0 40 GHAB O=C(O)c1ccccc1CN1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 634694391 GAKCDSTWURDZRC-ROUUACIJSA-N 387.426 3.764 0 40 GHAB Cc1ccnn1-c1ccccc1NC(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 654037860 ZNQWMKIMUPXWSJ-CJNGLKHVSA-N 382.386 3.802 0 40 GHAB COc1ncc(Br)cc1CN[C@H](C)c1cccc(NC(C)=O)c1 660180276 XVLHKSXDYPTQTG-LLVKDONJSA-N 378.270 3.662 0 40 GHAB C=CC(=O)Nc1cccc(C(=O)N2CCc3sc(Br)cc3C2)c1 1147494483 VHDVCTJCZXVRLI-UHFFFAOYSA-N 391.290 3.834 0 40 GHAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)c2ccccc12 1501054027 CFNVSESZTAOUOG-UHFFFAOYSA-N 396.512 3.668 0 40 GHAB O=C(c1cncc(Br)c1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1888843896 VZTNGOGBGUCHOS-KBPBESRZSA-N 395.688 3.702 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C[C@@H]2CCCO2)cc1 905354 BTQSFPABVOGAHN-INIZCTEOSA-N 398.488 3.756 0 40 GHAB CC[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(N)=O)C1 2767185 PBJLUPRUPLNBJK-NSHDSACASA-N 396.468 3.721 0 40 GHAB COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 1038005 OOPLUIJYDXEZHM-GFCCVEGCSA-N 381.881 3.665 0 40 GHAB CCOc1ccc(CSc2nnc(CN3CCCC3)n2-c2ccccc2)nc1 79051163 XNTXGPNRLBSIAR-UHFFFAOYSA-N 395.532 3.949 0 40 GHAB CCCN(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 3398649 MOFYXAKCKPKUAA-UHFFFAOYSA-N 380.897 3.688 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(c1ccccn1)C3=O 2704123 CAPFYEJVRDJLQO-HXUWFJFHSA-N 384.391 3.952 0 40 GHAB CC[C@H](C)C(=O)O[C@@H]1CCC=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21 3872142 AJLFOPYRIVGYMJ-QUCQPDQPSA-N 390.520 3.950 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1N 4856100 BSBSNTMXMCRSGD-UHFFFAOYSA-N 381.505 3.895 0 40 GHAB Cc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 715332 IMFCKFOAYSYUEY-NRFANRHFSA-N 384.435 3.841 0 40 GHAB COc1cc(OC)c(OC)cc1CNCc1cccc(OC)c1OC(F)F 22793577 APRFSNYUSAYXIK-UHFFFAOYSA-N 383.391 3.612 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)c1nn(-c2ccccc2)c(=O)c2ccccc12 7215846 NWMNRPKLBKTAPZ-FQEVSTJZSA-N 397.434 3.639 0 40 GHAB O=C(O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 7928382 NBEIHNULBJYMSE-NSHDSACASA-N 393.226 3.683 0 40 GHAB COc1cccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)O)c1OC 868456 GZIFKDGMGGIQOY-GOSISDBHSA-N 396.443 3.555 0 40 GHAB CCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(c3cc(C)cc(C)c3)C2=O)c1 958088 FDAQEDXRXQQLGO-UHFFFAOYSA-N 398.846 3.916 0 40 GHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C)c2)cc1OCC 10543961 YZXYQXTZRYAZBE-OAHLLOKOSA-N 393.505 3.841 0 40 GHAB COCCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 8469044 GAYUGTGWCNZARQ-UHFFFAOYSA-N 398.272 3.912 0 40 GHAB COc1cc(-c2cc(=O)c3ccccc3o2)cc(I)c1O 1106321 YRQOODLFSKHIBD-UHFFFAOYSA-N 394.164 3.779 0 40 GHAB biogenic O=C([C@@H]1CCCN(c2ncccn2)C1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 34858844 QAYIWKFISHDWBR-FYYLOGMGSA-N 398.510 3.867 0 40 GHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cnc2c(cnn2C(C)C)c1 25276895 IFEBHLFHURHZCG-UHFFFAOYSA-N 394.435 3.708 0 40 GHAB CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccc3c(c1)OC(F)(F)O3)C2 56574626 MAULDYDCCCVPRX-UHFFFAOYSA-N 389.358 3.557 0 40 GHAB Cc1ccc(-n2ccnc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1C 26044495 ZSEAEJOJHSGMNA-UHFFFAOYSA-N 393.468 3.795 0 40 GHAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)NCc1ccccc1F 57486657 XQSTTZVLRYKBAJ-UHFFFAOYSA-N 394.381 3.800 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccc(Cl)cc2F)c(-c2ccccc2)n1 57527237 BLAFZYOOKWUVSQ-UHFFFAOYSA-N 385.826 3.904 0 40 GHAB CCOc1ccc(CCNC(=O)[C@@H](c2ccccc2)n2cccn2)cc1OCC 58003032 JWGOGOCMUQKYJA-JOCHJYFZSA-N 393.487 3.629 0 40 GHAB CCc1ccc(CNC(=O)c2nnn(-c3ccc(Br)cc3)c2C)cc1 51317970 CFHZIQRHGPYMCL-UHFFFAOYSA-N 399.292 3.831 0 40 GHAB Cc1sc2nc(SCC(=O)N3CCCC3)n(-c3ccccc3)c(=O)c2c1C 3267271 SGZBGICPMMJMER-UHFFFAOYSA-N 399.541 3.779 0 40 GHAB Cc1sc(CNC(=O)[C@@H](C)NC(=O)C2CCC2)nc1-c1ccc(Cl)cc1 58354632 FEJBIDKNXOTHBF-LLVKDONJSA-N 391.924 3.693 0 40 GHAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C(C)C 12774422 ZWKLZUMBKFSYQE-CQSZACIVSA-N 399.520 3.874 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1Cl 48313080 AGPLBTUVKFJLSF-IBGZPJMESA-N 397.910 3.734 0 40 GHAB Cn1cc(C(=O)Nc2cc(F)cc(F)c2)c(-c2ccc3c(c2)OCCCO3)n1 12807265 NEJMYODYBWHVIW-UHFFFAOYSA-N 385.370 3.779 0 40 GHAB Cc1cccc(CN2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 306130567 JJWBKRWQHONUSQ-FQEVSTJZSA-N 384.487 3.874 0 40 GHAB CC(=O)c1ccc(OCc2ccc(C(=O)NCCCn3nc(C)cc3C)o2)cc1 28239110 QMZZOEVYISCFRC-UHFFFAOYSA-N 395.459 3.695 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1cc(Cl)ccc1N1CCOCC1 5701544 ZXWKVHXQHNWUBL-OAHLLOKOSA-N 385.895 3.566 0 40 GHAB O=C(CSc1nc(Cc2ccccc2)nc2c1SCCC2)N1CCCC1 9340566 JGSMHFQNGUGCBX-UHFFFAOYSA-N 385.558 3.820 0 40 GHAB O=C(c1ccc(COc2ccccc2Cl)o1)N1N=CC[C@@]1(O)C(F)(F)F 6926989 DGDRLWBBQNLRLP-OAHLLOKOSA-N 388.729 3.595 0 40 GHAB CCN(CC)C(=O)COC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 5919698 QMYBHZDCNWABRJ-UHFFFAOYSA-N 397.500 3.685 0 40 GHAB CCN1c2ccccc2-c2nc(SCc3ccccc3)ncc2S1(=O)=O 67260040 AIBNVPNDIQPZOA-UHFFFAOYSA-N 383.498 3.965 0 40 GHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)NC1CCCCCC1 15300789 FKSDQCKCNRQCGH-UHFFFAOYSA-N 399.457 3.805 0 40 GHAB O=C(COc1ccc2oc3ccccc3c2c1)NC[C@H]1COc2ccccc2O1 7156270 MKAJBMNWDXLCDG-INIZCTEOSA-N 389.407 3.921 0 40 GHAB C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 7129621 MCTIPWPDTNQAQM-ZDUSSCGKSA-N 381.457 3.935 0 40 GHAB CC(C)Oc1cccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 408614440 CGTWHNDZMISVBP-UHFFFAOYSA-N 396.896 3.532 0 40 GHAB Cc1ccc(F)cc1NC(=O)COc1ncnc2ccc(Br)cc12 7737956 SSIHGKFGPKZPIH-UHFFFAOYSA-N 390.212 3.857 0 40 GHAB COc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 7969508 HBILDKXNLFVXRB-UHFFFAOYSA-N 384.439 3.873 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2=O)cc1 7976716 PCTIIGUCWBLNTC-CYBMUJFWSA-N 378.350 3.885 0 40 GHAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccccc1Br)c1ccccc1 8088543 GUAGKTWWAAHVET-FZKQIMNGSA-N 389.293 3.894 0 40 GHAB O=C(Nc1ccc(F)cc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 23145169 LXYPIBACAHCHEF-UHFFFAOYSA-N 386.452 3.892 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCC2=CCCCC2)cc1 21003051 KJOLMTWLFFSARP-UHFFFAOYSA-N 392.565 3.656 0 40 GHAB O=C(COc1ccc(F)cc1Br)Nc1ccc2c(c1)OCCCO2 8746220 VEYGPUYITJSRIA-UHFFFAOYSA-N 396.212 3.767 0 40 GHAB O=S(=O)(Nc1cccc2nc[nH]c12)C1=Cc2ccc(OC(F)F)cc2CC1 72301881 AOKHIVUDJIVBRI-UHFFFAOYSA-N 391.399 3.893 0 40 GHAB Cn1ccc2c1CN(C(=O)c1ccsc1)Cc1cn(Cc3cccnc3)nc1-2 306141929 WKMLSABFYGYVBI-UHFFFAOYSA-N 389.484 3.549 0 40 GHAB C[C@H](Sc1nc2ncc(Br)cc2[nH]1)C(=O)NCc1cccs1 24766545 VBMNOSMUYZCSMT-QMMMGPOBSA-N 397.323 3.579 0 40 GHAB COc1cc(C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)nn1C 547973187 IZVMCUIUMBIFFT-CQSZACIVSA-N 396.260 3.602 0 40 GHAB COc1ccc(Br)cc1CN(C)CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C 36713595 LEDCYKNYWBNCCU-CPUCHLNUSA-N 397.357 3.830 0 40 GHAB O=C1CC[C@@H](c2cccc(N[C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)c2)N1 515223232 CCKQBQRLMREHCN-ROUUACIJSA-N 387.842 3.648 0 40 GHAB CSCC[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1ncc(C)s1 36575676 SKIYHNJRTDNKNM-CYBMUJFWSA-N 389.502 3.688 0 40 GHAB COc1ccc2[nH]cc(CCNC(=O)Cn3cc(C(C)=O)c4ccccc43)c2c1 70666462 AXTUKCVDNIODHJ-UHFFFAOYSA-N 389.455 3.693 0 40 GHAB biogenic COc1ccc(-c2[nH]c3c(C4=NCCC4)c(=O)n(-c4ccccc4)n3c2C)cc1 35052072 WCNTYFHTJLRRHY-UHFFFAOYSA-N 386.455 3.985 0 40 GHAB O=C(NCc1ccccn1)Nc1cc(Br)ccc1Br 44078725 LGAQFZGXLSMUGO-UHFFFAOYSA-N 385.059 3.928 0 40 GHAB CCOC(=O)c1cccnc1SCC(=O)N[C@@H](C)c1ccc(Cl)cc1 40141049 ZZUSUIUORTUGEW-LBPRGKRZSA-N 378.881 3.881 0 40 GHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1 224784593 ZWHZOXWGAOZIAO-MRXNPFEDSA-N 398.528 3.642 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H](NCCc2ccc(Br)cc2)C1 89212646 RSEOPQKLPBGQKJ-INIZCTEOSA-N 383.330 3.981 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 225574338 VHIVOXNHFKUVPG-HNNXBMFYSA-N 390.886 3.964 0 40 GHAB Cc1cc(N2CCCCC2)nc(NC(=S)NCCCc2ccc(F)cc2)n1 225969230 AOXGJTZQRNRXLQ-UHFFFAOYSA-N 387.528 3.834 0 40 GHAB CCCC[Sn]1(CCCC)OC[C@@H](CN2CCCC2)O1 195998170 BCFRNVBTEWLIOQ-LSBIWMFESA-N 376.129 3.540 0 40 GHAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)NC1CCCCCC1 225737903 BAUXEIOZYBAKSJ-UHFFFAOYSA-N 377.282 3.603 0 40 GHAB Cc1nc(-c2ccccc2)nc2c1COC[C@]21CCN(C(=O)CCC(C)C)C1 96080422 RVVHXSIBNCSSJX-HSZRJFAPSA-N 379.504 3.889 0 40 GHAB COc1ccc(C2=NO[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2)cc1OC 239433788 YLYXNLWJZSDRHL-YOMUGFJLSA-N 386.492 3.624 0 40 GHAB O=C(c1ccsc1)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 96038253 YLADSBHBCTWKNN-UHFFFAOYSA-N 389.484 3.873 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)N3CCCC3)CC2)Oc2ccccc21 96243102 LAKUCAPASPGUAS-SFHVURJKSA-N 399.535 3.518 0 40 GHAB O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1 24673177 VSOBYHKPSPBHQQ-MRXNPFEDSA-N 395.311 3.825 0 40 GHAB COCCOc1cccc([C@H]2C[C@@H](NC(=O)C(C)C)[C@@H]3CCCC[C@H]3O2)c1 257234508 GTVCZNQHMOAIJT-DOIPELPJSA-N 375.509 3.873 0 40 GHAB Cc1nc2ccc(Cl)cn2c1C(=O)N1[C@@H]2CN(C)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257294252 QTFQGGOFHZZLEX-GRXQJBFDSA-N 386.927 3.774 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(C(F)(F)F)n1 260732709 AIDMNOYRMZDSNW-NSHDSACASA-N 375.464 3.674 0 40 GHAB O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)Nc1c[nH]nc1-c1ccccc1 683708770 NPSWTHSKEVTGAB-UHFFFAOYSA-N 397.378 3.917 0 40 GHAB O=C1C[C@@H](c2ccccc2C(F)(F)F)c2c(O)nc(N3CCCCC3)nc2N1 585655797 OCVGESDUOLWYPN-LBPRGKRZSA-N 392.381 3.665 0 40 GHAB CCCOc1ccc(OCC(=O)NC2CCN(Cc3cccc(C)c3)CC2)cc1 57645797 IMFUOFOANBMQBO-UHFFFAOYSA-N 396.531 3.943 0 40 GHAB CC(C)c1ccc(CN2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cc1 1615131938 UYHATKONHGEDNH-QHCPKHFHSA-N 382.479 3.957 0 40 GHAB COC(=O)Nc1ccc(S(=O)(=O)NCc2cc(-c3ccco3)cs2)cc1 1775968664 JSLVNQKVSPCPGK-UHFFFAOYSA-N 392.458 3.665 0 40 GHAB COc1cc(CCC(=O)N2CCC(c3nn(C)c4ncccc34)CC2)ccc1C 12186778 ZLHKCUOEVQCDFR-UHFFFAOYSA-N 392.503 3.624 0 40 GHAB CCOc1ccc2[nH]c(C(=O)NCc3nc(-c4ccccc4)no3)c(C)c2c1 12202695 XWZCVSKBTQNGQC-UHFFFAOYSA-N 376.416 3.855 0 40 GHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc(-n2cccc2)c1 12539457 SUDPKCDJOHTHFD-UHFFFAOYSA-N 377.444 3.587 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Cl)ccc1Cl 12807766 JWGRYDFSAYKKNO-UHFFFAOYSA-N 385.272 3.686 0 40 GHAB Cc1cc(C)cc(C(=O)N[C@@H](c2ccncc2)[C@@H]2N=C(c3ccccc3)OC2=O)c1 13221057 PJBOZNLUGFDVBU-SFTDATJTSA-N 399.450 3.542 0 40 GHAB Cc1cc2nc(COc3ccc(NC(=O)c4ccc(F)cc4)cc3)cc(=O)n2o1 13368519 PKJBUVTZSSMNQM-UHFFFAOYSA-N 393.374 3.566 0 40 GHAB COc1ccc(OC)c(-c2csc(NC(=O)c3c4c(nn3C)CCCC4)n2)c1 19288673 UIYWWFFLOLGRNY-UHFFFAOYSA-N 398.488 3.692 0 40 GHAB Cn1cc(-c2cc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)no2)cn1 19290770 RNPABCUZQOHVAV-UHFFFAOYSA-N 383.408 3.514 0 40 GHAB Cc1nn([C@H](C)CC(=O)N2CCCC[C@H]2CCN2CCCC2)c(C)c1Cl 19577540 NYXOOTGPQFKGLB-QAPCUYQASA-N 380.964 3.971 0 40 GHAB Nc1nc(CCC(=O)N2CCC(COc3ccc(Cl)cc3)CC2)cs1 19664846 JITIVXQZIMMXKN-UHFFFAOYSA-N 379.913 3.629 0 40 GHAB CCn1cnc2sc(C(=O)N[C@H](c3ccc(OC)cc3)C3CC3)c(C)c2c1=O 19717381 FUPBGKRGWZBDFY-KRWDZBQOSA-N 397.500 3.676 0 40 GHAB CCc1nc2ccccc2n1[C@H](C)C(=O)Nc1nc(-c2cn(C)nc2C)cs1 19718470 GHYZPWNBJCHICQ-CYBMUJFWSA-N 394.504 3.964 0 40 GHAB Cc1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccc(C)cc3)C2=O)cc1 8372451 KLZDKCVDPNHBOG-WQRHYEAKSA-N 380.469 3.656 0 40 GHAB COc1cc(NC(=O)c2ccc(Br)cc2)cc2sc(NN)nc12 226310046 AOWFYTZFFVFTQY-UHFFFAOYSA-N 393.266 3.605 0 40 GHAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](C(=O)N[C@H](C)c4ccncc4)[C@@H]31)O2 248337216 PNVBLKVSKMUJPI-IWBRTZSYSA-N 376.456 3.627 0 40 GHAB COc1ccc(CN2CC[C@@H]3CN(c4ccccn4)C[C@H]32)cc1Br 1889133844 DUDVXIMDVPOHLC-NVXWUHKLSA-N 388.309 3.563 0 40 GHAB O=C(c1cnn(-c2ccccc2)c1)N1CCN(Cc2ccc(Cl)s2)CC1 23640585 MGAKIHTYUIPVHV-UHFFFAOYSA-N 386.908 3.545 0 40 GHAB S=C(NCCCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1 2727883 HMMBQUJNUKFIQC-UHFFFAOYSA-N 388.968 3.839 0 40 GHAB Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccc(F)cc2)C[S@](=O)C3)c1C 4105675 LUYJIZYIPQYEDY-MUUNZHRXSA-N 397.475 3.572 0 40 GHAB Cc1ccn(-c2ccc(Nc3ccc(NC(=O)Cc4ccccc4)cc3)nn2)n1 13009682 KTZYALHRIFUWHT-UHFFFAOYSA-N 384.443 3.896 0 40 GHAB O=C(C1CC1)N1CCc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc21 13695966 VKWPJWNCHWVTLE-UHFFFAOYSA-N 390.483 3.673 0 40 GHAB Cc1c(C(=O)NC2CCCCC2)cnn1-c1cc(-c2nc(C3CC3)no2)ccn1 49420808 ZCOUSWDATSRKDX-UHFFFAOYSA-N 392.463 3.566 0 40 GHAB Cc1cccc(C)c1OCCNC(=O)c1cnn(-c2ccccn2)c1C(C)C 40113785 SGDWASVVDLILIC-UHFFFAOYSA-N 378.476 3.816 0 40 GHAB COc1ccc([C@@H](C)NC(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1F 30991915 DJACQFGMXOPUAG-CQSZACIVSA-N 387.455 3.989 0 40 GHAB O[C@H](CSc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 20384908 XDDLHMKHKYUMKX-SFHVURJKSA-N 396.478 3.981 0 40 GHAB COc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)c1 100765048 HQLQDGUDNFNKJG-KDURUIRLSA-N 378.428 3.627 0 40 GHAB O=C(c1cccc(Br)c1)N1CCC[C@@H]1c1nnc2n1CCCCC2 40817092 SVLLUDQFRRBPCH-OAHLLOKOSA-N 389.297 3.744 0 40 GHAB C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(-c2ccccc2)cc1 102275038 RWOHGLUVHBKSDP-ORYQWCPZSA-N 390.483 3.706 0 40 GHAB C[S@@](=O)Cc1cccc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)c1 21551807 HSMNIYWUCNZNSO-SANMLTNESA-N 394.876 3.737 0 40 GHAB O=C(Cc1n[nH]c(=S)n1Cc1ccccc1)Nc1ccc(OC(F)F)cc1 32843865 SNQRWIFUDOGEIN-UHFFFAOYSA-N 390.415 3.772 0 40 GHAB O=C(C1CC1)N1CCC(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 29846564 BTFKUTKHGZBFAF-HSZRJFAPSA-N 388.511 3.809 0 40 GHAB Cc1cc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)ccc1Br 37225807 YQUKKVLALYTUSO-UHFFFAOYSA-N 390.280 3.626 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccccn2)cc1C 1362787 PHQQBOGPKVNPHW-UHFFFAOYSA-N 395.532 3.810 0 40 GHAB C[C@@H]1CCC[C@H](c2ccccc2)N1Cc1nnc2n(C)c(=O)c3sccc3n12 79058994 ZKODRGLTEMAKPS-GDBMZVCRSA-N 393.516 3.758 0 40 GHAB O=C(NCc1ncoc1-c1ccccc1)c1cnn2c(-c3ccccc3)ccnc12 79056249 UJWRQSGZHDOHDX-UHFFFAOYSA-N 395.422 3.981 0 40 GHAB CCCOC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 2101402 ZYKOCHZYVSYMDU-ICBNADEASA-N 382.497 3.658 0 40 GHAB biogenic CC1(C)CCc2cc(CC(=O)Nc3ccc(Cn4cncn4)cc3)ccc2O1 79495713 ZYRHDSLHQQEIFQ-UHFFFAOYSA-N 376.460 3.611 0 40 GHAB Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cc2ccccc2o1 667484 UBUYTEUEJOGBOC-UHFFFAOYSA-N 392.484 3.679 0 40 GHAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c(C)c1 4307735 NJLIQEABKFHANM-NRFANRHFSA-N 399.878 3.671 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCc3sccc3C2)CC1 12214023 QVAQULLCBJWBSN-UHFFFAOYSA-N 388.920 3.839 0 40 GHAB CCCOc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1OCCC 22637315 XAJREJXJIAILCD-UHFFFAOYSA-N 384.432 3.847 0 40 GHAB Cc1ccc(-n2c(S[C@@H](C)C(=O)NC3CC3)nnc2-c2ccccn2)c(C)c1 53841370 KMCBRFNFJGWRKC-HNNXBMFYSA-N 393.516 3.705 0 40 GHAB C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3F)c2)C1 6680933 XAFQWUGTELWFAD-GFCCVEGCSA-N 382.482 3.560 0 40 GHAB O=C(CCc1nnc(-c2ccsc2)o1)NCCNc1nc2ccccc2s1 47476461 SOGJMLWCIHHFMW-UHFFFAOYSA-N 399.501 3.569 0 40 GHAB Cc1ccc(Cl)cc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccccc23)C1=O 8215727 KVLYDVDLJLJUOG-GOSISDBHSA-N 381.863 3.594 0 40 GHAB CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(F)cc1 8417182 AXYGUYZNUKYQHO-UHFFFAOYSA-N 386.423 3.679 0 40 GHAB CC(C)OC(=O)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 990324 XCWYFNCGHDMJFM-UHFFFAOYSA-N 385.030 3.848 0 40 GHAB O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccc(OC(F)F)cc2)c1 8704674 SUADMUNOQWODHP-UHFFFAOYSA-N 388.292 3.832 0 40 GHAB O=C(COc1ccc(I)cc1)Nc1ccccc1Cl 8907588 WAYKCMJXGPRFSV-UHFFFAOYSA-N 387.604 3.962 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2nc3ccccc3s2)CC1 23872973 IAWWOFRNIMVSSY-UHFFFAOYSA-N 395.484 3.876 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCOCC2)o1 24573463 UPVHAOOLRQMLHR-KRWDZBQOSA-N 386.423 3.585 0 40 GHAB Cc1ccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)cc1-n1cccc1 25092193 LWGSTKIMPKXOGV-UHFFFAOYSA-N 383.455 3.826 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(F)cc2C)nc2ccsc2c1=O 57425057 AJFVCDFKNNVFRZ-UHFFFAOYSA-N 377.466 3.656 0 40 GHAB Cc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 1410953 XVCZXSPJYVZCPG-UHFFFAOYSA-N 380.469 3.829 0 40 GHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(Cc2ccccc2)CC1 12509529 MVMXMLUDFCTQTJ-UHFFFAOYSA-N 389.499 3.727 0 40 GHAB COc1cc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)cc(OC)c1OC 28303851 XQKHVWOVFGCWDK-OAHLLOKOSA-N 380.444 3.994 0 40 GHAB Cc1cccc(OCCNC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1 12553701 QCWNKRXSFZFLEU-UHFFFAOYSA-N 376.460 3.749 0 40 GHAB C[C@@H](OC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1nnc(-c2ccccc2)o1 26426575 XFEFTNDOURHLGW-IAQYHMDHSA-N 381.363 3.606 0 40 GHAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(OCc2ccc(F)cc2)c1 26544082 GZSLDYVPJHGCBV-UHFFFAOYSA-N 375.425 3.545 0 40 GHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N1CCCc2ccccc21 3242950 XZPCNQMZLSCSPA-UHFFFAOYSA-N 375.424 3.985 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)c1ccccc1Br 1918980 UFNJKZWWOFLWRQ-UHFFFAOYSA-N 378.222 3.643 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1 12604655 FBZZPXFZDVEIAT-IAGOWNOFSA-N 386.517 3.914 0 40 GHAB CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(F)cc1 113894472 MEGFJXOCYYHCOP-UHFFFAOYSA-N 385.844 3.546 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2ccc(C)s2)CC1 100750144 RKZZIWIDGKNLSH-QKLQHJQFSA-N 385.533 3.865 0 40 GHAB CCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2sccc2C1 58306728 GKGHYHRHRPIZNI-INIZCTEOSA-N 376.909 3.885 0 40 GHAB CC(C)CCSc1nnc2n(C)c(=O)c3c4c(sc3n12)COC(C)(C)C4 2286495 DDCWENASIDGLLS-UHFFFAOYSA-N 392.550 3.632 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCc3c4n(c5ccccc35)C(=O)CC[C@@H]42)cc1 36559118 VTSITMBQOYZOEI-IBGZPJMESA-N 380.469 3.672 0 40 GHAB biogenic Cn1ccnc1CN1CCC(C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)CC1 48303216 PRPQNTUWWUCYKZ-FQEVSTJZSA-N 382.552 3.926 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1ccccc1C(=O)O 12895826 QHGDZKVNCIEQSI-UHFFFAOYSA-N 389.473 3.543 0 40 GHAB CSc1ccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)cc1 2515227 QAECQOFXHCVWIS-UHFFFAOYSA-N 383.513 3.978 0 40 GHAB CCCOc1ccc(C(=O)Nc2cccc(-c3nnnn3C)c2)cc1OCCC 12878548 ZGZJJLLHYZSEKP-UHFFFAOYSA-N 395.463 3.707 0 40 GHAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Oc1ccc(Cl)cc1 29738481 MMMACFIRZCCYBF-NRFANRHFSA-N 398.846 3.635 0 40 GHAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2cccc3ccccc23)C1=O 8777483 MMDDMVPEICNBSJ-RUZDIDTESA-N 398.462 3.978 0 40 GHAB CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O 3597369 ZEHPMRAOJBRMAJ-QGZVFWFLSA-N 397.500 3.743 0 40 GHAB CC(C)CC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12924230 FSQUJDMPTLTYME-SFHVURJKSA-N 394.581 3.735 0 40 GHAB NC(=O)Cc1csc(NC(=O)c2ccccc2SCc2cccs2)n1 12938482 IQALOXOIGNQULU-UHFFFAOYSA-N 389.527 3.777 0 40 GHAB O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)N1CCCSCC1 64240412 YFUXGFWMUOYSNG-UHFFFAOYSA-N 380.517 3.733 0 40 GHAB COc1cccc([C@@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1 6087875 PHPVOWQAFORRPA-GOSISDBHSA-N 379.243 3.969 0 40 GHAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(Cc1ccco1)C1=CCCCC1)C2=O 6087402 CHRILGNGKDRISR-KSFYIVLOSA-N 399.491 3.567 0 40 GHAB O=C1C[C@@]2(CC(c3ccc(Cl)cc3Cl)=NO2)C(=O)N1c1ccc(F)cc1 5071165 WPGUYPJHDYSWBY-SFHVURJKSA-N 393.201 3.959 0 40 GHAB CCC(=O)NC(Nc1ccc(Br)cn1)(C(F)(F)F)C(F)(F)F 19944493 SYCNSLYQAXVHOH-UHFFFAOYSA-N 394.113 3.603 0 40 GHAB COc1cc(COC(=O)c2ccc(Cn3cccn3)cc2)ccc1OC(F)F 14149946 OUBASZTXHSVEGG-UHFFFAOYSA-N 388.370 3.898 0 40 GHAB Cc1nc(N2CCN(C[C@H]3CCCO3)CC2)c2c(-c3ccccc3)csc2n1 6581482 HDHMMVORWMKFSD-GOSISDBHSA-N 394.544 3.968 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(C)c2C)cc1 9237844 BMHGCJLBFHXXGC-MOPGFXCFSA-N 393.516 3.910 0 40 GHAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ccccn2)CC1 6881834 ZEQNORVIEKLXOV-CYBMUJFWSA-N 379.291 3.538 0 40 GHAB CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(C(=O)OC)cc1)CO3 6900583 VFUKPWVAVWUKJB-UHFFFAOYSA-N 379.412 3.807 0 40 GHAB COc1ccc(CNCc2ccc(N3CCCC3=O)cc2)cc1Br 15580895 FUJNDBOCLLHMED-UHFFFAOYSA-N 389.293 3.874 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(C)n(CC)c2C)c1C 7794746 ORCICEXMBQVWAU-HNNXBMFYSA-N 388.464 3.675 0 40 GHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc(C(F)(F)F)c1 7778632 XMLNMENGDIJTHX-UHFFFAOYSA-N 390.283 3.833 0 40 GHAB Cc1cc(C)cc(-n2nnnc2SCC(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 7714317 JJZPAVWVXWWRPK-AEFFLSMTSA-N 385.537 3.552 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(N2CCOCC2)cc1 7842652 RXFLWGWXBWUNRY-UHFFFAOYSA-N 375.472 3.869 0 40 GHAB Cc1ccc(OCc2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 16201825 JSUWHHZIFAOLKF-UHFFFAOYSA-N 396.468 3.618 0 40 GHAB CCOc1ccccc1OCC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 8062013 DITJAOHERKDVBF-QFIPXVFZSA-N 385.460 3.749 0 40 GHAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1 8283732 ICUAWUQNWZLKPB-GFCCVEGCSA-N 379.445 3.516 0 40 GHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCNC(=O)c1ccco1 9548480 PPGPKYLKHLGNEQ-UHFFFAOYSA-N 386.835 3.972 0 40 GHAB CNC(=O)CN(C)c1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 18057266 VIHDAAVYPAIAPJ-OUKQBFOZSA-N 392.528 3.923 0 40 GHAB NC(=O)[C@H](CNCc1c(Cl)cccc1N1CCCC1)Cc1ccc(F)cc1 95464341 NAOCFWLDINHTCI-INIZCTEOSA-N 389.902 3.513 0 40 GHAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccccc2)CC1 21576524 AGAOLRNQTMQMGQ-UHFFFAOYSA-N 399.922 3.970 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCc3ccccc3C2)CC1 408605845 GXLWMQOETRTSMD-UHFFFAOYSA-N 390.936 3.551 0 40 GHAB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 35040521 KQKRKRJIJUWSKI-XNTDXEJSSA-N 388.901 3.815 0 40 GHAB Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2ccco2)c(C)c1 35289662 QBVNKGTZDCZXEK-UHFFFAOYSA-N 380.419 3.999 0 40 GHAB COc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(C)(F)F)cc1 409001109 GXNOAMOQVTZALM-IBGZPJMESA-N 394.805 3.943 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3F)cc2Cl)cc1 32610006 JSHQHLNKRJZZAS-UHFFFAOYSA-N 379.844 3.833 0 40 GHAB CCc1cc(OCc2nnc3n(CC)c(=O)c4ccccc4n23)ccc1Cl 31556780 WFPZAZNCVDMOSI-UHFFFAOYSA-N 382.851 3.859 0 40 GHAB CCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N)n2)cc1 71977803 LJLBLUCUWQSIPA-UHFFFAOYSA-N 381.432 3.817 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)CC(C)C)c3)o2)cc1 39762370 LWFAFRSSVTUUAH-UHFFFAOYSA-N 394.431 3.982 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCc3c4n(c5ccccc35)C(=O)CC[C@H]42)cc1 36559119 VTSITMBQOYZOEI-LJQANCHMSA-N 380.469 3.672 0 40 GHAB biogenic CN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)[C@@H]1CCNC1 562976425 ZGXSAZMICGZHSO-OAHLLOKOSA-N 383.542 3.901 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1OCC 72330927 WJORJFTZTWONDP-UHFFFAOYSA-N 391.851 3.862 0 40 GHAB COc1ccc(N[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1OC(F)F 40049969 ULJOPUDRBHZYNK-NSHDSACASA-N 378.375 3.938 0 40 GHAB O=S(=O)(NCc1cccnc1-c1ccco1)c1cccc(C(F)(F)F)c1 225662894 UOIIHHDKZKNRRO-UHFFFAOYSA-N 382.363 3.839 0 40 GHAB O=C(CCc1cccc2ccccc12)NCc1ccc(CN2CCOCC2)cc1 224584733 GPILXODGOYFTPU-UHFFFAOYSA-N 388.511 3.921 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223698923 LIWYROSDSSZJEK-QGZVFWFLSA-N 390.549 3.938 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1cccnc1-c1ccco1 225660704 OKIXMODBURZRNB-UHFFFAOYSA-N 376.391 3.811 0 40 GHAB COc1ccc(CN2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)cc1F 47334178 DZCYEBJPPPAWMH-UHFFFAOYSA-N 393.409 3.899 0 40 GHAB O=C(Cn1cnc2ccccc21)N1CCC(Oc2cccc3cccnc23)CC1 225705835 BHALWTXGNUCVRL-UHFFFAOYSA-N 386.455 3.655 0 40 GHAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(C(=O)N(C)C)cc1 225705414 UNSVTLRDAYHSLZ-IBGZPJMESA-N 383.517 3.761 0 40 GHAB CCN(c1ccccc1Br)S(=O)(=O)c1ccc(NC(C)=O)cc1 224893042 UQJBXALECZVFJD-UHFFFAOYSA-N 397.294 3.623 0 40 GHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(-n2ccnc2)cc1 225605070 FKUDXQWQIYQPFS-KRWDZBQOSA-N 375.472 3.835 0 40 GHAB CC1CCN(c2cc(C(F)(F)F)nc(NC(=S)NCc3ccco3)n2)CC1 225913507 PGYYFTZEGQZBHX-UHFFFAOYSA-N 399.442 3.811 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 44903327 SBAXBODGEVCVMX-IBGZPJMESA-N 393.487 3.897 0 40 GHAB CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2ccccc2c1 225047377 LIFUSNKRLNKFNW-UHFFFAOYSA-N 399.468 3.607 0 40 GHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 148373460 NHKANKZCKPTVQH-LLVKDONJSA-N 375.881 3.650 0 40 GHAB Cc1noc(C)c1CN1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccccc12 96052708 HRQFHJBEWNJYPR-GOSISDBHSA-N 381.520 3.791 0 40 GHAB CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)CC2CCC(C(=O)O)CC2)c1 582303709 JUPONQDNAGTIMR-PGLALFKDSA-N 379.522 3.953 0 40 GHAB O=C(CCc1ccncc1)NCc1cccc(-c2n[nH]cc2-c2ccncc2)c1 257222319 DSVHLBQWCIIHHN-UHFFFAOYSA-N 383.455 3.783 0 40 GHAB O=C(c1cccc(O)n1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257285694 PIIIODKRIHTOLN-GOSISDBHSA-N 381.407 3.873 0 40 GHAB Cc1cnn(CC(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)c1 257201342 AHGYCSZBJNECCX-KRWDZBQOSA-N 398.894 3.830 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 260850783 QSZIGLAWUWHDNQ-ROUUACIJSA-N 382.570 3.791 0 40 GHAB O=C(NCC[C@H]1CC1(F)F)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 621471672 YKSCVWYDKSCMFA-KRWDZBQOSA-N 399.441 3.985 0 40 GHAB C[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 622766423 ZAQDWARZISVTOY-UCNVEGJOSA-N 379.504 3.814 0 40 GHAB CCn1nccc1-c1nc(C2CCN(C(=O)c3cccc(Cl)c3)CC2)no1 390827586 IBDLJQDJRKRDLL-UHFFFAOYSA-N 385.855 3.626 0 40 GHAB O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3F)C[C@H]12)C(F)F 585109771 SAXUKHGINQHOHI-XYJFISCASA-N 378.369 3.616 0 40 GHAB O=C(Nc1ccccc1)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775996315 VUZHSNZWIDUBEN-CYBMUJFWSA-N 391.269 3.562 0 40 GHAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 7071375 JSIKDTKREJVTGX-MTOJCTJASA-N 388.489 3.523 0 40 GHAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(OC)c1 8107620 NXZDLCUYDLVLOY-GIJQJNRQSA-N 380.425 3.812 0 40 GHAB CCCCCOC(=O)[C@@H](C)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 5411113 JYPWHWNYJQOZIK-OAHLLOKOSA-N 381.428 3.988 0 40 GHAB CSc1ccc(/C=c2\sc3nnc(-c4cccc(Cl)c4)n3c2=O)cc1 13547532 SABVSWXSIVBBAU-DHDCSXOGSA-N 385.901 3.741 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=S)Nc1ccc(Cl)cc1 13793105 CFJKYDCUNDIUDV-UHFFFAOYSA-N 380.853 3.953 0 40 GHAB COC(=O)c1c(COC(=O)Cc2noc3ccccc23)nc2ccccc2c1C 18965854 NJWHKKKUDROEKN-UHFFFAOYSA-N 390.395 3.757 0 40 GHAB O=C([C@@H]1CCCO1)N1CCc2onc(Nc3cccc(C(F)(F)F)c3)c2C1 19330760 NCAURUQBULKVAZ-HNNXBMFYSA-N 381.354 3.501 0 40 GHAB NC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCC2)C1 19348376 HNPNIAKYKUNAID-QHCPKHFHSA-N 380.463 3.539 0 40 GHAB CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(C(=O)c3ccco3)CC2)n1 19450295 CBALFVWLWZBHDE-UHFFFAOYSA-N 391.475 3.972 0 40 GHAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN([C@@H](C)Cc2ccc(F)cc2)C1 19456785 BNBNWBMDHVTXPC-QMHKHESXSA-N 382.479 3.586 0 40 GHAB Cc1nc(SCC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)oc1C 19559419 BMHNHIVHNIKAIL-INIZCTEOSA-N 383.477 3.532 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)Cc1cccc(OC)c1)Cc1ccccc1O2 19591999 LBDFCBSXHHOJHT-UHFFFAOYSA-N 394.515 3.560 0 40 GHAB C[C@H](Oc1ccccc1)c1nnc(NC(=O)c2ccc3c(c2)ncn3C)s1 19718414 JHZBVSSLXREODM-LBPRGKRZSA-N 379.445 3.817 0 40 GHAB CC(C)c1csc(NC(=O)CCn2nnnc2-c2ccc(Cl)cc2)n1 19718615 PMRQOFNKQWADDA-UHFFFAOYSA-N 376.873 3.602 0 40 GHAB O=C(Nc1c(C(=O)Nc2ccccc2)nnn1Cc1ccccc1)c1ccccc1 1078124 WYNMYWJLOVMTDA-UHFFFAOYSA-N 397.438 3.831 0 40 GHAB CCc1ccc([C@@]2(O)CN(c3cc(OC)ccc3OC)C3=[N+]2CCCCC3)cc1 4086868 VPDYHWWOPZCXRM-DEOSSOPVSA-N 395.523 3.917 0 40 GHAB CCN(C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(OC)cc1 4374407 NLEXBHSURTYSFW-HNNXBMFYSA-N 387.867 3.690 0 40 GHAB CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)ccc1O 6068598 NMCFFEJWADWZTI-UHFFFAOYSA-N 395.411 3.979 0 40 GHAB biogenic,in-vitro CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3c(C)cccc3C)ccc21 11613032 RCFJAQAURUVKAO-UHFFFAOYSA-N 393.531 3.763 0 40 GHAB COc1ccc(-n2nnc(C(=O)OCc3ccc(F)cc3)c2C)cc1Cl 12416108 OUPIIWRETPLERX-UHFFFAOYSA-N 375.787 3.734 0 40 GHAB O=C(N1CCCC1)N1C[C@@H](c2ccccc2)[C@@]2(CCN(c3ccsc3)C2=O)C1 2055782270 YMYTUSGQXNVNSW-SIKLNZKXSA-N 395.528 3.786 0 40 GHAB COc1ccc([C@H]2CCCCN(S(=O)(=O)c3ccc(OC)c(F)c3)C2)cc1 206887914 SDYBYRSINODGGA-INIZCTEOSA-N 393.480 3.801 0 40 GHAB COc1ccc(S(=O)(=O)NCc2ccc(-c3cccs3)o2)cc1OC 585367951 ZSAYDXZCZPIUKN-UHFFFAOYSA-N 379.459 3.504 0 40 GHAB O=C(CSc1ncnc2[nH]cnc12)N1Cc2ccccc2Cc2ccccc21 13578875 OZBGOMPPHZMNFF-UHFFFAOYSA-N 387.468 3.583 0 40 GHAB COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1OC1CCCC1 40068293 KMKBWKWMIAQKBW-UHFFFAOYSA-N 379.416 3.505 0 40 GHAB O=C(CCc1nnc(-c2ccsc2)o1)NC1CCN(Cc2ccccc2)CC1 30859276 PALWYSPXSRVYRF-UHFFFAOYSA-N 396.516 3.512 0 40 GHAB COc1cccc(C2=C[C@@H](c3cccc(Br)c3)n3nnnc3N2)c1 101098129 TYFKFWSYSLZDNX-INIZCTEOSA-N 384.237 3.500 0 40 GHAB O=C(Nc1ccc(Cl)cc1Cl)C1=C(c2ccccc2)S(=O)(=O)CCO1 32073914 XWLSJIYZHLJYSK-UHFFFAOYSA-N 398.267 3.746 0 40 GHAB COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCCc4ccccc43)nn1C)C2 32072181 XPEXJOOXEMVJLC-UHFFFAOYSA-N 389.455 3.602 0 40 GHAB COc1ccccc1CN1C(=O)c2ccccc2N[C@@]12C(=O)N(C)c1ccccc12 101645074 SJXURYMXFZXAHR-XMMPIXPASA-N 399.450 3.593 0 40 GHAB O=C(COc1cccc2c1CCC[C@@H]2O)Nc1ccc(OC(F)(F)F)cc1 32691399 FMUDPLCRCRJMCE-INIZCTEOSA-N 381.350 3.972 0 40 GHAB O=C(NC(=C1NCCN1)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 41097766 CHKJMWXCNZVQGJ-UHFFFAOYSA-N 396.903 3.712 0 40 GHAB CCn1nnc2cc(C(=O)Nc3ccnn3Cc3ccccc3Cl)ccc21 32722496 ULDXLLVNVUAFPK-UHFFFAOYSA-N 380.839 3.602 0 40 GHAB NC(=O)NCc1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1 21475062 SGJBYBUWYUYNSK-UHFFFAOYSA-N 394.471 3.942 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 32903731 XRFKCSJUGIMFEQ-OAHLLOKOSA-N 384.819 3.907 0 40 GHAB COc1ccc(NC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)cc1 646411 CRYSSTLWYWLGAM-UHFFFAOYSA-N 382.460 3.775 0 40 GHAB O=C(Nc1ccc(F)cc1F)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 665306 PJQRBIDTXFMGOG-SNVBAGLBSA-N 395.203 3.719 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)COc2ccc(C)cc2C(C)(C)C)n1 839331 CAIYVZNTENEPTH-UHFFFAOYSA-N 390.505 3.872 0 40 GHAB Cc1cc2cccc(C)c2nc1SCC(=O)NCc1ccc2c(c1)OCO2 932889 XIKILVZVBWECNG-UHFFFAOYSA-N 380.469 3.989 0 40 GHAB CCCOC(=O)Cn1cnc2scc(-c3ccc(OC(C)C)cc3)c2c1=O 1784771 MTABQWLFQFXIOY-UHFFFAOYSA-N 386.473 3.865 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2 2219923 IXVFOXLHAWOFIZ-UHFFFAOYSA-N 381.350 3.801 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3ccc(OC[C@@H]4CCCO4)cc3)CC2)c1C 2626113 KSBPTYBRFAUABC-QFIPXVFZSA-N 394.515 3.824 0 40 GHAB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)NC1CC1 2656045 PSMFEVVJUYPTDG-UHFFFAOYSA-N 380.831 3.991 0 40 GHAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(O)cc2)nc1 2703719 ONGGULTUAFWAAG-HXUWFJFHSA-N 384.391 3.952 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 3223132 PYMZXIZGOBJZDH-UHFFFAOYSA-N 398.440 3.623 0 40 GHAB NC(=O)c1ccsc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 3366528 KZAANGPZTFGHSR-UHFFFAOYSA-N 395.815 3.645 0 40 GHAB CCCN(CC(=O)Nc1ccc(C)cc1)CC(=O)Nc1ccc(F)c(F)c1F 3584848 HPYSHPVDOMWMGZ-UHFFFAOYSA-N 393.409 3.702 0 40 GHAB CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)N(CC)C1=S 4512909 LIJNLBVCCBKSFE-FOWTUZBSSA-N 384.457 3.543 0 40 GHAB CCC(=O)n1nc(NCc2ccc(OC)cc2)nc1NCc1ccc(OC)cc1 4703219 LDQDKGSXDIKPCL-UHFFFAOYSA-N 395.463 3.570 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2cccc(F)c2)cc1 4928847 IYWGAWSLRXEQLV-LJQANCHMSA-N 379.391 3.784 0 40 GHAB CC(=O)N[C@H]1C(=O)N(CCOc2ccc(Cl)cc2Cl)c2ccccc21 4993118 QJZCYLUEQXAPCR-QGZVFWFLSA-N 379.243 3.596 0 40 GHAB CNC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCC2 5055697 VEWOHALQMQUBSR-UHFFFAOYSA-N 385.308 3.673 0 40 GHAB CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(OC)c(OC)c1 5342809 HFSPMQCHGSNWOL-OAQYLSRUSA-N 393.443 3.755 0 40 GHAB CSC1=NC(=O)[C@@H](Cc2ccc(OC(C)C)cc2)C(=O)N1c1ccccc1 5633328 KKWIQJOWDQXBOF-GOSISDBHSA-N 382.485 3.925 0 40 GHAB C[C@@H](NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCO2 5859523 IWYGQNHCDZRSCW-CQSZACIVSA-N 383.444 3.747 0 40 GHAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCCCC(=O)O)c(C)c12 6624142 CSLQCSIPGCWTGF-UHFFFAOYSA-N 399.443 3.768 0 40 GHAB biogenic COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCCC3)o2)cc1 7002856 YUXWOFQWTZLVRJ-UHFFFAOYSA-N 384.457 3.783 0 40 GHAB CC[C@H](C)n1c(SCC(=O)N(C)Cc2ccco2)nc2ccccc2c1=O 7237727 SQHKMWPDDRBKSC-AWEZNQCLSA-N 385.489 3.711 0 40 GHAB O=S(=O)(c1ccc(-c2csc(N3CCCCC3)n2)cc1)N1CCCC1 7763253 CKIOGOUVOXASJZ-UHFFFAOYSA-N 377.535 3.585 0 40 GHAB CNC(=O)c1ccc(CN(C)C(=O)CSCc2nc3ccccc3s2)cc1 7847655 XTMUNKCRIUKZIP-UHFFFAOYSA-N 399.541 3.548 0 40 GHAB O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)Nc1cccc2ccccc12 7940200 UAEHOGYARIMCGF-QGZVFWFLSA-N 394.471 3.503 0 40 GHAB COc1cccc([C@H](CNc2cnn(-c3ccccc3)c(=O)c2Cl)N(C)C)c1 7979744 NFJXIBXWGRFKDF-IBGZPJMESA-N 398.894 3.609 0 40 GHAB CCOc1ccc(-c2cc(C(=O)NCCc3cn4ccccc4n3)no2)cc1C 7996955 CENVJPBNNHFYEC-UHFFFAOYSA-N 390.443 3.669 0 40 GHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 8041118 FNZKCSBADKLVOD-ZWKOTPCHSA-N 396.487 3.618 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCCn1cnc2ccccc21 8174379 BFACDDKSNJWNKN-UHFFFAOYSA-N 387.487 3.718 0 40 GHAB O=C(COC(=O)c1ccc2ccccc2c1)c1cc2c3c(c1)CC(=O)N3CCC2 8342248 FBGOVMSIIIGPBO-UHFFFAOYSA-N 385.419 3.715 0 40 GHAB Cc1ccccc1CNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 8479504 LMRVWRMCYNTJRA-UHFFFAOYSA-N 394.924 3.511 0 40 GHAB CN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 10286120 QYAQIHXXDFMMIW-UHFFFAOYSA-N 380.469 3.788 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 10287557 GHRMRQLZIMELDK-UHFFFAOYSA-N 395.528 3.982 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCC2)cc1 11905197 HPEGXYLBGYOZSB-OAQYLSRUSA-N 391.471 3.917 0 40 GHAB Cc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)n1 12201222 KJYGJYNJUFUIGW-HNNXBMFYSA-N 390.443 3.663 0 40 GHAB C[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 12391578 UGDHDHOGAXGOAZ-IRXDYDNUSA-N 387.487 3.795 0 40 GHAB CCN1CCN(c2ccc(N[C@H](C(=O)NC3CC3)c3ccccc3)cc2C)CC1 12544473 WLDZFRZIXVHWGA-QHCPKHFHSA-N 392.547 3.569 0 40 GHAB Cc1ccc([C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)c2cccs2)cc1 12708759 JZNZYDMXSGDBPM-IBGZPJMESA-N 385.510 3.979 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CNc3ccc(Cl)cc3Cl)ccc21 12767866 KWYMKXIRJMCKNA-UHFFFAOYSA-N 378.259 3.953 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1 12784830 LYZSWJSMWLBYTF-UHFFFAOYSA-N 399.922 3.615 0 40 GHAB C1=NC2=NC3=C([C@H](c4cccnc4)N2N1)[C@H](c1cccs1)Oc1ccccc13 13213813 POZMCLWWAHFHMU-PMACEKPBSA-N 385.452 3.947 0 40 GHAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCc2ccccc21 15563592 LRWNLEJBSWYFMK-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(c2ccc(Cl)cc2)CC1 15679353 ZBHJGVDPBFZMKV-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2nc3ccc(O)cc3s2)cc1 17079128 JXLNFAOBFWUVII-UHFFFAOYSA-N 387.486 3.916 0 40 GHAB COc1ccc(C2(CNC(=O)c3cc(C(F)(F)F)nn3C)CCCC2)cc1 19288797 ZQKZZOLKBBBJFO-UHFFFAOYSA-N 381.398 3.689 0 40 GHAB c1csc([C@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)nc2)n1 19341920 AXXVFLIJIGTTHU-KRWDZBQOSA-N 386.546 3.510 0 40 GHAB NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccccc2)C1 19368633 AODWYVZWWOBHHS-QHCPKHFHSA-N 390.508 3.975 0 40 GHAB COc1cccc(OC)c1CN1CCc2c(nc(C(C)C)nc2N2CCCC2)C1 19453603 NDXHWFHVDVPLLS-UHFFFAOYSA-N 396.535 3.776 0 40 GHAB COc1ccc(CCC(=O)N2CCC[C@H]3NC[C@H](c4ccc(F)cc4)[C@H]32)cc1 19554556 BIOFZVGBGSOQQJ-MQSCRBSSSA-N 382.479 3.514 0 40 GHAB Cc1[nH]c2ccc(F)cc2c1[C@H](O)CN1CCN(c2ccc(F)cc2F)CC1 19581439 NZPAHMVBNLVXMI-HXUWFJFHSA-N 389.421 3.749 0 40 GHAB COc1cc2c(cc1CN1CCCC[C@@H]1c1ncc3c(n1)CCN(C)C3)CCC2 19590322 CEMKSSMTNLBHHJ-JOCHJYFZSA-N 392.547 3.689 0 40 GHAB O=c1[nH]c(=S)n(-c2cccc(Cl)c2)c2c1CN(Cc1ccccc1)CN2 19875139 PGTSQFVDXSFLHJ-UHFFFAOYSA-N 384.892 3.934 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)cc1C 20029909 XZEGUSHWIJGUNU-GFCCVEGCSA-N 384.295 3.806 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1Cl 20030008 LNOZHTQWOCNQTQ-GFCCVEGCSA-N 399.896 3.795 0 40 GHAB CCOC(=O)c1c(C)nc(Nc2nc(C)c3cccc(OCC)c3n2)nc1C 20634069 OPNYFOVAUPXYOS-UHFFFAOYSA-N 381.436 3.664 0 40 GHAB CN(C)CCNCc1cc(Br)ccc1OCc1ccccc1F 22075578 SEOBDSBSOPKXRM-UHFFFAOYSA-N 381.289 3.818 0 40 GHAB CC(C)c1ccccc1NC(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 22805263 BMDZGAYBJLAIIB-UHFFFAOYSA-N 393.531 3.501 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)c3nc4ccccc4c(=O)[nH]3)c12 23043734 CNUQSMRBRDBEEO-NSHDSACASA-N 390.399 3.563 0 40 GHAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@@H](C)C2)cc1 23157277 WWATUSHQVSRAIO-IIYDPXPESA-N 386.521 3.881 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)c2n[nH]c(=O)c3ccccc23)cc1 24392159 BQSVHRRNQKMOHV-LJQANCHMSA-N 377.444 3.689 0 40 GHAB CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 24429237 VMCRDASZQGDWRM-UHFFFAOYSA-N 386.517 3.895 0 40 GHAB CC(C)c1noc([C@@H](C)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)n1 27822989 GIRCSTFILSWDDM-CQSZACIVSA-N 385.464 3.620 0 40 GHAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ccc(Cl)cc1 28043305 XQHWDYWZZKKPGR-INIZCTEOSA-N 379.865 3.637 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-n4ccnc4C)cc3)o2)n1 28242731 JNPDXSKFKBQQLO-UHFFFAOYSA-N 375.432 3.888 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NC1CCC(C(F)(F)F)CC1)(C3)C2 29613047 FQOZPBRCEJNKJM-CWRQSNRTSA-N 386.458 3.699 0 40 GHAB COC(=O)C1=C(C)N(CC(F)(F)F)C(=O)N[C@H]1c1ccccc1C(F)(F)F 30552719 ITYKHOBEPLCIKF-LBPRGKRZSA-N 396.287 3.781 0 40 GHAB CC[C@H](C)NC(=O)COc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 32579008 ZYZLYURDULBXLB-AWEZNQCLSA-N 381.432 3.706 0 40 GHAB C[C@H](C(=O)NCc1ccccc1C(F)(F)F)n1cc(Br)cn1 32610897 IYYOQTAHZSTBCZ-SECBINFHSA-N 376.176 3.542 0 40 GHAB CSc1cccc(N2C[C@@H](C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)CC2=O)c1 32738354 KLEXKYMVUQAWCY-KBPBESRZSA-N 394.500 3.515 0 40 GHAB Cc1c(C(=O)NC[C@H](c2cccs2)N2CCCC2)cnn1-c1ccccc1F 32762481 OUPFEQWLVBYERM-LJQANCHMSA-N 398.507 3.948 0 40 GHAB O=C(COC(=O)c1cc(-c2ccccc2Cl)on1)c1ccc2c(c1)OCO2 32936214 GPEDLMMODFFPSS-UHFFFAOYSA-N 385.759 3.763 0 40 GHAB COc1ccccc1OCCn1c([C@H]2CCCN2C(C)=O)nc2ccccc21 33317705 XNIFSIDFEBVHDV-LJQANCHMSA-N 379.460 3.807 0 40 GHAB CCOC(=O)c1oc2ccccc2c1CN1Cc2ccccc2C[C@@H]1C(=O)OC 35380300 UBJSCQCQHJTXRG-LJQANCHMSA-N 393.439 3.709 0 40 GHAB Cc1ccc(NC(=O)c2sc3ncn(Cc4ccncc4)c(=O)c3c2C)cc1 35672058 PPHKFQJVPJMIRL-UHFFFAOYSA-N 390.468 3.770 0 40 GHAB O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1 40058226 YDZKYZKXBYRDQX-KRWDZBQOSA-N 377.271 3.914 0 40 GHAB COc1cc(C)c([C@H](C)NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1OC 40134347 OTFNJUUXUCPZHX-RNODOKPDSA-N 386.423 3.522 0 40 GHAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 40143763 XAMFVWDFFOGLPY-HNNXBMFYSA-N 393.487 3.647 0 40 GHAB COc1ccc2c(ccn2CC(=O)Nc2nnc(COc3ccccc3)s2)c1 49550834 PVPFFJSQFXKZLB-UHFFFAOYSA-N 394.456 3.719 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 54001721 RDOMWRLMRBDXOX-HNNXBMFYSA-N 396.491 3.570 0 40 GHAB O=C(CCn1ncc(=O)c2ccccc21)Nc1c(-c2ccccc2)ncn1C1CC1 58158191 SIXRAECLCHCNCZ-UHFFFAOYSA-N 399.454 3.624 0 40 GHAB CCc1cc2c(CNc3cccc(N4CCCC4=O)c3)cc(=O)oc2cc1O 58322462 YKNGOSWACDVJAY-UHFFFAOYSA-N 378.428 3.800 0 40 GHAB CCOc1cccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)c1 59294212 JCGMJHOQEJJYJX-UHFFFAOYSA-N 379.445 3.812 0 40 GHAB C[C@@H]1Oc2ccccc2N(CCC(=O)OCc2ccc(OC(F)F)cc2)C1=O 59892988 OIJCFULZRGBONT-ZDUSSCGKSA-N 391.370 3.535 0 40 GHAB c1ccc(-c2nnc([C@@H]3CC34CCN(Cc3nc(C5CC5)no3)CC4)o2)cc1 71889675 HFPJAIXNHVHJPP-INIZCTEOSA-N 377.448 3.767 0 40 GHAB Cc1cc(C)cc(OCn2ccc(C(=O)Nc3cc(-c4ccncc4)n[nH]3)n2)c1 72255883 ZUXJJEKZMFIHSD-UHFFFAOYSA-N 388.431 3.574 0 40 GHAB CNC(=O)c1ccc(/C=C/C(=O)OC[C@@]2(C)CCCN2Cc2ccccc2)cc1 72310755 WQWRLGDHOOIMMJ-RBZOQEBVSA-N 392.499 3.657 0 40 GHAB Cc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2nccc3ccccc23)CC1 72348210 UOYCSRXBRXJYKN-UHFFFAOYSA-N 396.450 3.640 0 40 GHAB COc1cccc(-c2cncc(C3CCN(C(=O)c4scnc4C)CC3)n2)c1 72359708 SYXMJWINXTUMDD-UHFFFAOYSA-N 394.500 3.937 0 40 GHAB Cc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C3CCOCC3)C2)cc1 72362907 GSZAYBIHJBAHKO-GOSISDBHSA-N 381.476 3.710 0 40 GHAB O=S(=O)(Nc1nnc(SCc2ccccc2)[nH]1)c1ccc(F)cc1Cl 79101538 AIOPUAONVASCFG-UHFFFAOYSA-N 398.872 3.690 0 40 GHAB Cc1oc(-c2cccs2)nc1C(=O)N1c2ccccc2[C@@H](C(N)=O)C[C@H]1C 84052911 XDJHCRUJFLIELE-RISCZKNCSA-N 381.457 3.719 0 40 GHAB COc1ccccc1-c1noc(C2CN(C(=O)Nc3ccc(C)c(C)c3)C2)n1 90567263 NQWHXARRGWRSSM-UHFFFAOYSA-N 378.432 3.993 0 40 GHAB O=C(COc1ccc2ccccc2c1)NC[C@@H]1CCN(CCc2ccccc2)C1 95349627 QCCSIICVWFQTFZ-NRFANRHFSA-N 388.511 3.899 0 40 GHAB COCCn1ccc2c(NC(=O)C3(c4ccccc4)CCOCC3)cccc21 96116399 LULKDLGQOZNXNG-UHFFFAOYSA-N 378.472 3.975 0 40 GHAB biogenic CCc1cc2c(=O)n3c(nc2s1)/C(=C\c1cc(OC)c(OC)cc1OC)CC3 96759291 OCJXBMXBXOFHST-WQLSENKSSA-N 398.484 3.991 0 40 GHAB Cc1c(-c2ccccc2)nn2c(O)cc([C@@H](C)n3ncc4ccccc4c3=O)nc12 100223781 RKRZVZMIBQDTEZ-OAHLLOKOSA-N 397.438 3.730 0 40 GHAB Cc1nc(C)n(CCc2cc(O)n3nc(-c4ccc5ccccc5c4)cc3n2)n1 100776258 BSKKYVVFTWCNES-UHFFFAOYSA-N 384.443 3.706 0 40 GHAB Cc1cccc(C)c1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 113965568 BCTUXGLORVVDJA-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 113969637 GMRXOXKNBZUUIT-NRFANRHFSA-N 396.487 3.518 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(Oc2nccs2)C1 208030823 LUZDGNBQNIDBRN-UHFFFAOYSA-N 375.837 3.663 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 219600352 IEJNCQMADGWNBQ-LJQANCHMSA-N 395.459 3.870 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 220306444 FMFFYBGOOKTFDD-AWEZNQCLSA-N 378.469 3.742 0 40 GHAB C[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 222761167 GOTVHQXTERCLNT-HXUWFJFHSA-N 386.495 3.963 0 40 GHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 223276698 IEZTWTINSQGLHP-LEWJYISDSA-N 397.592 3.922 0 40 GHAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 223647331 WDZCZDBGDHEPPZ-PMACEKPBSA-N 398.532 3.534 0 40 GHAB Cc1ccc(C)c(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 224028509 FAAZTNLLHBDKTO-UHFFFAOYSA-N 384.495 3.850 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(CC)cc1 224042557 IWSADPUFXLVFEG-GOSISDBHSA-N 396.531 3.744 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1ccccc1 224076842 ZLHRDTVHTJAGGS-LJQANCHMSA-N 394.515 3.584 0 40 GHAB COc1cccc(CN(C(=O)Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224446910 HEQRDXLYFGCJLJ-IBGZPJMESA-N 396.531 3.736 0 40 GHAB Cc1cc(NC(=S)NCCCN2CCC[C@H](C)C2)ccc1N1CCCC1=O 260732782 BEXHBEVMXVGZRC-INIZCTEOSA-N 388.581 3.530 0 40 GHAB CN(C)C(=O)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CCC3)c12 306143131 XTWJQDJAUQAOMK-UHFFFAOYSA-N 380.492 3.715 0 40 GHAB O=C(Nc1ccc2ccccc2c1)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408974527 AZKTZEAFVMGIDP-UHFFFAOYSA-N 394.390 3.683 0 40 GHAB C[C@@H]1[C@H](c2ccccc2)[C@@H]1c1nc(-c2cccc(S(=O)(=O)N(C)C)c2)no1 558361502 CSYKVTVMLKZTSX-FSPWUOQZSA-N 383.473 3.504 0 40 GHAB Cn1ccnc1[C@H]1C[C@H](NC(=O)Nc2ccnc(-c3ccccc3)c2)CCO1 562596483 QSWRYWBZZDXPKO-IEBWSBKVSA-N 377.448 3.524 0 40 GHAB O=S(=O)(NCC[C@H](CCO)c1ccsc1)c1cccc2ccccc12 575608847 ZURSCUYZZFPXPK-OAHLLOKOSA-N 375.515 3.736 0 40 GHAB Cc1ccccc1CN1CCOC[C@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 585104816 ULILCLOYLJCCFZ-GBXCKJPGSA-N 378.516 3.807 0 40 GHAB O=C(NC[C@@H](O)c1csc2ccccc12)c1cncc(Br)c1 585148039 ZENOUUIBPDOVCC-CQSZACIVSA-N 377.263 3.522 0 40 GHAB O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(Cl)s1 585305103 QLEPUAFDKLERTM-JTQLQIEISA-N 375.803 3.824 0 40 GHAB Cn1cnc2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)ccc21 677050546 XCDQKNCNXSQYFQ-FQEVSTJZSA-N 382.895 3.794 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)c2)c1 1527218429 CLACVVFDWUOLGN-FIKGOQFSSA-N 398.528 3.739 0 40 GHAB O=C(NCc1cnn(CC2CCC2)c1)c1cc2cc(Br)sc2[nH]1 1636255560 VUFYYGJIVNLDDR-UHFFFAOYSA-N 393.310 3.919 0 40 GHAB COc1ccc(N2C[C@H](NC(=O)N(Cc3ccccc3)CC(C)C)CC2=O)cc1 1687010182 OKFVTCSICNXWRN-LJQANCHMSA-N 395.503 3.668 0 40 GHAB COc1ccccc1C1(C(=O)NC[C@@H](O)c2cc(-c3ccco3)cs2)CC1 1775968557 RCEXFRMWVTVGLQ-MRXNPFEDSA-N 383.469 3.898 0 40 GHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 645532 YPJHHUFRILSHMQ-QGZVFWFLSA-N 383.814 3.998 0 40 GHAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc21 803019 MJJXWVFDIFIJDC-UHFFFAOYSA-N 385.272 3.568 0 40 GHAB COc1ccc([C@@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1OC 845471 LSHVVRDKKLZRKE-FQEVSTJZSA-N 397.452 3.698 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)cc1 869040 STQFWXQYUXAJGY-UHFFFAOYSA-N 397.456 3.953 0 40 GHAB CCOC(=O)c1ccc2nc(NC(=O)c3ccc(C(=O)OC)cc3)sc2c1 911812 ITGJZVOXNSMSFB-UHFFFAOYSA-N 384.413 3.512 0 40 GHAB COc1ccc(CNC(=O)CSc2nnc3c(C)cc4ccccc4n23)cc1 1223221 VHFDFAJYVDISPU-UHFFFAOYSA-N 392.484 3.608 0 40 GHAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccc(F)cc1 1320554 XMRQSGKTVRCXPU-HSZRJFAPSA-N 393.389 3.972 0 40 GHAB COCc1nnc(NC(=O)CCCOc2ccc(Cl)cc2Cl)s1 1903814 JEGHWZQALMMOFG-UHFFFAOYSA-N 376.265 3.789 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 3296393 XPHNFZOWVHDZHI-UHFFFAOYSA-N 382.460 3.629 0 40 GHAB C[C@@H]1CCc2sc(C(=O)OCC(=O)NC(=O)c3ccc(Cl)cc3)cc2C1 3399868 ITTCWCRNBWWTEB-LLVKDONJSA-N 391.876 3.640 0 40 GHAB COc1cc(NC(=O)CSc2nnc(-c3cccs3)o2)cc(OC)c1 3475216 WGSOKNNXANNXFE-UHFFFAOYSA-N 377.447 3.546 0 40 GHAB COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 3607670 UTOSXYNRIKZXBL-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB C[C@H]1CCCN(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)C1 4848492 AQAAYXMJQQETOU-LBPRGKRZSA-N 381.885 3.653 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1C 4854672 QUOPJUPEQONHBG-MRXNPFEDSA-N 395.532 3.953 0 40 GHAB CCc1cccc(CC)c1NC(=O)CSc1nnc(NC(=O)C2CC2)s1 4904603 CCDPWZAFCQOLAK-UHFFFAOYSA-N 390.534 3.742 0 40 GHAB Cc1ccc2c(=O)cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)oc2c1C 5346335 GTQGOEKZBJABHS-UHFFFAOYSA-N 396.468 3.701 0 40 GHAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 5778508 SYVGAJWHGROYRF-OWSLCNJRSA-N 394.452 3.780 0 40 GHAB CCCn1c(NC(=O)[C@H](C)Cn2cc(Br)cn2)nc2ccccc21 6241300 YNIMCGBVQMYWMM-GFCCVEGCSA-N 390.285 3.680 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)c2c(C)c(C)c(=O)oc2c1 6660717 SMHWNRNHEVQNNG-UHFFFAOYSA-N 395.411 3.507 0 40 GHAB COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 7036841 RVPQAOALCVWTLV-UHFFFAOYSA-N 379.441 3.956 0 40 GHAB Nc1cc(N)nc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 7692693 DZJPTKVQUJGPFS-LJQANCHMSA-N 375.457 3.839 0 40 GHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(C(=O)OC)cc2)CC1=O 7928168 VAZZLTXHUGULGE-SFHVURJKSA-N 394.471 3.590 0 40 GHAB Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 7977232 AHLZSOWITVCJKX-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB COc1cccc(-c2nc(COC(=O)c3cc(C(C)=O)c[nH]3)cs2)c1OC 8259062 UEKSAZAAPHNJIV-UHFFFAOYSA-N 386.429 3.715 0 40 GHAB Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1CCc1ccc(F)cc1 8344504 BQCSNWDFDGLEFR-UHFFFAOYSA-N 399.495 3.783 0 40 GHAB CCc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)cc1 9236444 QDPMKOVNETZMIV-ZWKOTPCHSA-N 379.489 3.547 0 40 GHAB O=C1NCCCC[C@H]1Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 10989117 MAQADJVDGCOWJQ-QGZVFWFLSA-N 399.903 3.800 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC(C)(C)C)cc1 12137109 CJYJLVOBSFHJOZ-UHFFFAOYSA-N 399.516 3.740 0 40 GHAB Cc1cc2n(C[C@@H](O)COc3cccc4ccccc34)c(=O)c3ccccc3n2n1 12754235 BKFMQBBGMAVFLH-GOSISDBHSA-N 399.450 3.551 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nnnn2C2CC2)cc1 12778639 YLQCFXGNVXGCJG-UHFFFAOYSA-N 387.365 3.875 0 40 GHAB CCc1ccc(CN(C)C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12779882 QLGNZJSSDPASOR-NRFANRHFSA-N 394.515 3.816 0 40 GHAB Cc1oc(-c2ccccc2)nc1Cn1cnc2c(cnn2-c2ccccc2)c1=O 12805449 TWDTZADBGCVBFF-UHFFFAOYSA-N 383.411 3.594 0 40 GHAB C[C@H](NCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccc2ccccc2c1 12817211 WGYRARPCWRBUDH-INIZCTEOSA-N 375.472 3.937 0 40 GHAB Cc1cc(C)c(S(=O)(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c(C)c1 12821012 KRTYVSOODQMRFG-UHFFFAOYSA-N 398.484 3.936 0 40 GHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1ccc(F)cc1 12850178 JRATUSLTAREYBS-UHFFFAOYSA-N 394.899 3.736 0 40 GHAB COc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(F)c3F)no2)cc1OC 12868502 GWWICSMLDOGJTI-UHFFFAOYSA-N 392.333 3.957 0 40 GHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(C(F)(F)F)cc1 14163087 UMQPHOQSFKXEOV-OAHLLOKOSA-N 384.423 3.570 0 40 GHAB Cc1cc(C)n2c(=S)n(CN(Cc3ccccc3)CC(F)(F)F)nc2n1 14186613 BENGDTWRUDONIK-UHFFFAOYSA-N 381.427 3.899 0 40 GHAB Fc1ccccc1-c1nn(CN2CCOCC2)c(=S)n1Cc1ccccc1 16077290 QVKXZGVNFDTXEW-UHFFFAOYSA-N 384.480 3.558 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc2ccccc2c1C=O 18768475 CCIBHZOLOSSVAG-HNNXBMFYSA-N 388.423 3.795 0 40 GHAB O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 19335720 NIDUOVHCZYCISV-CYBMUJFWSA-N 387.436 3.722 0 40 GHAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccncc2)C1)c1cccs1 19400764 OGCHUPSANHBIES-RXVVDRJESA-N 392.528 3.921 0 40 GHAB CCn1c(C(C)C)nc2cc(NC(=O)c3ccc(CN4CCOCC4)o3)ccc21 19524258 JXSATNPWFQUTAN-UHFFFAOYSA-N 396.491 3.857 0 40 GHAB Cc1noc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)C3CC3)cc2)c1C 19558647 CUWIQJQIFWJCSP-UHFFFAOYSA-N 391.475 3.508 0 40 GHAB COc1cccc(CN2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1OC 19567852 MSLBRVGSSUQPDZ-QGZVFWFLSA-N 380.448 3.528 0 40 GHAB COc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)cn1 19589106 UGIGORGTWHEWND-VWPQPMDRSA-N 379.504 3.573 0 40 GHAB COc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c(OC)c1 19589258 XGXKDUCUZKPHDK-KCZVDYSFSA-N 398.478 3.545 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1ccc(-n4ccc(C)n4)cc1)(C3)C2 19626934 BOXBJOORCRUKLG-WVKNIADZSA-N 392.503 3.594 0 40 GHAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)cc2)n1 19661585 UHSNRFSFCZMQFE-GOSISDBHSA-N 388.471 3.789 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 20028512 WBKZJFUVJLUUHZ-UHFFFAOYSA-N 398.450 3.520 0 40 GHAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1CCOc1c(Cl)cccc1Cl 21176494 OFRIVWUQQKMLIU-HNNXBMFYSA-N 379.243 3.535 0 40 GHAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(Cc2cccc3ccccc23)CC1 23909151 ZMLXUVIWQQXVBU-UHFFFAOYSA-N 396.494 3.984 0 40 GHAB O=S(=O)(c1ccc(Cl)s1)N1CCn2cccc2[C@H]1c1ccccc1 24775136 XQNWHSOUSGJNSU-QGZVFWFLSA-N 378.906 3.997 0 40 GHAB Cc1[nH]c2c(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)cccc2c1C 24878260 LFORJSLWMSLDQU-UHFFFAOYSA-N 375.428 3.686 0 40 GHAB COc1ccc2nc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)ccc2c1 26078716 XXSAFXOWRRQGLP-UHFFFAOYSA-N 386.455 3.760 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N[C@H](C)c1ccccc1Cl 26299433 AFEGMHVVRFRZAW-CVEARBPZSA-N 397.910 3.791 0 40 GHAB O=C(O)[C@H](c1c[nH]c2cc(Cl)ccc12)N1CCN(Cc2cccs2)CC1 32106678 NADDDQLQHARUQE-SFHVURJKSA-N 389.908 3.826 0 40 GHAB Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(C)cc2)cc1 32640771 CGWXHLXILQKEOV-RTBURBONSA-N 386.542 3.578 0 40 GHAB COc1cccc(-c2noc(CSCC(=O)N[C@H]3CCCC[C@H]3C)n2)c1 32779081 CYYKOXLZAFPLJR-CJNGLKHVSA-N 375.494 3.673 0 40 GHAB COc1ccc(CN(C)C(=O)NCc2ccccc2Cl)c(OC)c1OC 32843764 XUQINFFHSYUVAY-UHFFFAOYSA-N 378.856 3.707 0 40 GHAB CCCc1nnc(SCC(=O)N2c3ccccc3C[C@H]2C)n1Cc1ccco1 35312403 AYBUNEDNTWYJCO-OAHLLOKOSA-N 396.516 3.942 0 40 GHAB Cc1ccc([C@H](c2nnnn2C(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 35312511 WTDREUDYSWIIKZ-OAQYLSRUSA-N 394.498 3.613 0 40 GHAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](CC)c1ccc(C)cc1 36398100 BJCPJORQDJVYQD-SFHVURJKSA-N 390.505 3.782 0 40 GHAB COc1ccccc1C1(CNC(=O)c2cc(-c3ccccc3)on2)CCOCC1 38680280 JWCVCKRSFNAJJD-UHFFFAOYSA-N 392.455 3.828 0 40 GHAB Cc1oc(-c2cccs2)nc1CC(=O)N1c2ccccc2[C@@H](C(N)=O)C[C@@H]1C 40069820 SLIMISOSGXUWFE-WFASDCNBSA-N 395.484 3.648 0 40 GHAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccc(Cl)cc2Cl)c1 40096563 GHBHDCFLJAFFEA-OAHLLOKOSA-N 385.247 3.866 0 40 GHAB CC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1 40107088 HPUTWNGJVDQYOZ-UHFFFAOYSA-N 379.391 3.901 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)s1 44204326 RBXHRWXGKVPQOD-LBPRGKRZSA-N 395.531 3.736 0 40 GHAB C[C@H]1CCCN(Cc2ccc(NC(=O)CNC(=O)c3ccccc3Cl)cc2)C1 47283481 ZLLJSVJJMBZHLC-INIZCTEOSA-N 399.922 3.940 0 40 GHAB Cc1cc(C)n(-c2nccnc2SCC(=O)Nc2ccc(Cl)cc2F)n1 49404449 VUKNOUZLQKSAJA-UHFFFAOYSA-N 391.859 3.802 0 40 GHAB Cn1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)c(C(F)(F)F)n1 52939811 MPUCVKQGFIOATA-UHFFFAOYSA-N 399.423 3.835 0 40 GHAB CNC(=O)c1cc(Cl)ccc1NCC(=O)N1CCC[C@H]1c1cccs1 55842113 LMIPZXZQVCBECB-HNNXBMFYSA-N 377.897 3.537 0 40 GHAB O=c1c2nn(-c3ccccc3)cc2cnn1CN1CCC[C@@H]1C1CCCCC1 57089215 MAHVBZOIEOFCJV-HXUWFJFHSA-N 377.492 3.584 0 40 GHAB Cc1ccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCCC(=O)O)cc1 58196703 RUAVRSPATDTBLB-SFHVURJKSA-N 394.427 3.656 0 40 GHAB CC(=O)Nc1ccc(/C=C/C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1 58310040 NBRUNOFAMUZREQ-GPVYEGESSA-N 381.476 3.513 0 40 GHAB CN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)[C@H](c2ccccc2)C1 58369870 MPGDPFPVKFPQOX-SFHVURJKSA-N 383.542 3.929 0 40 GHAB Cc1cc(CNC(=O)c2ccccc2SCc2cn3ccccc3n2)on1 65738068 VLCFOZDTKJJNDT-UHFFFAOYSA-N 378.457 3.853 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(CC)cc2)cc1OCC 72330886 PQQOMDXBGNHHCU-UHFFFAOYSA-N 385.460 3.771 0 40 GHAB Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1 72354328 AZCAQWKHFYOZIJ-GOSISDBHSA-N 388.475 3.647 0 40 GHAB COc1cccc(-c2noc([C@H]3CCN(Cc4cccc(OC)c4OC)C3)n2)c1 72369874 ACHHEBQWIFEYIR-KRWDZBQOSA-N 395.459 3.752 0 40 GHAB O=S(=O)(c1cccc(Cl)c1F)N1C[C@H](n2ccnc2)Cc2ccccc21 95961692 YQTOBGGTJRHWEY-CQSZACIVSA-N 391.855 3.668 0 40 GHAB CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 96006706 IUBTWSUXHLYOJE-OAHLLOKOSA-N 398.315 3.535 0 40 GHAB O=S(=O)(c1ccccc1)N1CC[C@@]2(CCCN2Cc2ccc(Cl)cc2)C1 96071035 JBXPNMLTLHXJFN-FQEVSTJZSA-N 390.936 3.769 0 40 GHAB O=C(NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1)c1ccc(Cl)cc1 96112914 QVAOJKGIEFEMGK-KRWDZBQOSA-N 385.826 3.671 0 40 GHAB biogenic,in-vitro CCC(=O)N1CCC2(CC1)C[C@H](CC(=O)Nc1cccnc1)c1ccccc1O2 96242989 IRNZWZXKLXIIJB-KRWDZBQOSA-N 393.487 3.748 0 40 GHAB COCCN(C)C(=O)c1cc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96266786 CYXBPMDVDJVDCK-UHFFFAOYSA-N 388.471 3.570 0 40 GHAB Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1C 100547719 GZGMWAVBOPDFJB-IDPBPBMLSA-N 387.435 3.834 0 40 GHAB Cc1ccc(C(=O)Oc2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)cc1 100744021 RSBMNXGVFRMWSQ-FVCZOJIISA-N 375.424 3.750 0 40 GHAB COCCOc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1Cl 133324099 GRRBVGGZTFUMJP-UHFFFAOYSA-N 389.814 3.942 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCS[C@@H](c2cccs2)CC1 219554493 XFTRKDBFUQIIIQ-QGZVFWFLSA-N 381.544 3.552 0 40 GHAB CCc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](CC)C(=O)NC)cc1 223452293 TVZKSOIVKSZCJE-JOCHJYFZSA-N 396.531 3.744 0 40 GHAB Cc1ccc(OCCNC(=O)c2ccc(I)cc2)c(C)c1 223459834 LRJDJDGQGZKYIS-UHFFFAOYSA-N 395.240 3.717 0 40 GHAB O=C(CCCc1ccc2c(c1)OCCO2)NCCOc1ccccc1Cl 224945113 LSLYKNFMIQNQLU-UHFFFAOYSA-N 375.852 3.629 0 40 GHAB O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3cccs3)CC2)n[nH]1 225561678 ULSIAJMUKCBABI-UHFFFAOYSA-N 398.463 3.882 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(C)cc1C 225682419 LYSUHHBZMYQOEV-INIZCTEOSA-N 390.530 3.646 0 40 GHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccc(F)cc3)ccc21 225712678 ATUWHMBLKYTFRF-GFCCVEGCSA-N 394.493 3.823 0 40 GHAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCc3ccccc3C2)cc1 253405344 SCTIVEVJZCVEMU-AWEZNQCLSA-N 378.428 3.602 0 40 GHAB biogenic,in-vitro COc1cccc(NC(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)c1OC 253471838 FYYDRXCOHPOQFH-INIZCTEOSA-N 393.443 3.937 0 40 GHAB Cc1noc(C)c1-c1ccnc(C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 257274693 NMEFWLMNKLGFEC-UHFFFAOYSA-N 397.500 3.922 0 40 GHAB CC(C)(C)CC(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(N)=O)CC1 257280576 OLLAWXBPLPVDAF-UHFFFAOYSA-N 393.531 3.821 0 40 GHAB Cn1cncc1-c1nccnc1C[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 257335879 YMGSDZRSSWKTBA-SFHVURJKSA-N 381.524 3.629 0 40 GHAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2CN(Cc3cccs3)C[C@H]21 306129652 IJABNFHYUIHZCY-UYAOXDASSA-N 382.510 3.565 0 40 GHAB C[C@H]1CCC[C@@]1(O)CNc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 549262793 PKRRFLFXUIEUCV-YEJXKQKISA-N 395.532 3.990 0 40 GHAB Cn1nccc1[C@@H]1C[C@H](NC(=O)Nc2ccnc(-c3ccccc3)c2)CCO1 567342293 FTVPMUUMYMVFEV-XLIONFOSSA-N 377.448 3.524 0 40 GHAB N=c1nc([C@@H]2CCCN(Cc3ccc(Br)c4cccnc34)C2)cc[nH]1 584239339 UPLBSGFPUYPRGZ-CYBMUJFWSA-N 398.308 3.579 0 40 GHAB Cc1cc(N)ccc1OC(=O)c1ccc(C(=O)Oc2ccc(N)cc2C)cc1 584578811 XSQRYCPTYSGRJK-UHFFFAOYSA-N 376.412 3.906 0 40 GHAB O=C(NC[C@@H]1CCC2(CCCC2)O1)NC[C@H]1CCCN(Cc2cccs2)C1 654413446 VCLINRZEUQBSMV-MSOLQXFVSA-N 391.581 3.751 0 40 GHAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NC[C@H]2C(C)(C)C2(F)F)C1 660546435 UANONHNVNFUJOC-DOMZBBRYSA-N 387.858 3.518 0 40 GHAB FC(F)(F)c1ccc([C@@H]2CCCCN2Cc2nnc3n2CCOCC3)cc1 1614994939 YRPZYUXACHYJAT-INIZCTEOSA-N 380.414 3.597 0 40 GHAB Cc1cc(OCC2CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)ccn1 1775969628 CZMFJSKETJZEPL-UHFFFAOYSA-N 377.488 3.742 0 40 GHAB O=C(C1CCN(c2ccnc(C(F)(F)F)c2)CC1)N1CCC(F)(F)CC1 1889101094 BBTVVMFRNIBCDM-UHFFFAOYSA-N 377.357 3.575 0 40 GHAB O=C(c1ccc(F)c(Cl)c1)N1CCC[C@](O)(COc2ccccc2)CC1 2037912927 DMXWYXQFFOPWMK-HXUWFJFHSA-N 377.843 3.915 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C)c3)C2=O)cc1 956178 IZGBWKRJBYNNNR-UHFFFAOYSA-N 384.819 3.607 0 40 GHAB COc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCC(C)CC2)cc1 1330469 SOACKOPQJVPUON-NRFANRHFSA-N 377.492 3.551 0 40 GHAB COc1ccccc1NC1=C(Cl)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1786170 CYIGPFFBTCCKPV-UHFFFAOYSA-N 377.227 3.780 0 40 GHAB CCCN(CC1CC1)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 3257439 BYYRUBQJZOUQIU-UHFFFAOYSA-N 386.945 3.633 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccncc1 3303602 ILKZDZMKVJCBQT-CQSZACIVSA-N 395.488 3.682 0 40 GHAB Cc1ccc(Nc2nnc(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)s2)cc1C 3307634 BGRJBFMWWDISMJ-ZIAGYGMSSA-N 392.550 3.626 0 40 GHAB Cc1ccc(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)cc1NC(=O)c1ccco1 3449198 OHEKHSMCXULTHL-YOEHRIQHSA-N 398.459 3.692 0 40 GHAB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(C(C)=O)ccc2OC)C1=O 3465026 XGHAZPFPSFUKGJ-JOCHJYFZSA-N 380.444 3.645 0 40 GHAB CC(=O)c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 3504333 HNNKBIMCFDTZLB-UHFFFAOYSA-N 395.196 3.511 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3c(c(=O)n2C)S[C@H](C)C3)cc1Cl 4107776 IPWGVQYUTOXHIK-SNVBAGLBSA-N 395.937 3.510 0 40 GHAB Cc1ccc(N2C(=O)N(c3ccccc3C)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 4393702 MMIUQXPPPICGSU-ROUUACIJSA-N 390.892 3.569 0 40 GHAB CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccoc1C 4860873 QLJDVTTXBDFHES-UHFFFAOYSA-N 387.461 3.859 0 40 GHAB Cn1c(=O)c2c(-c3ccccc3)n(C34CC5CC(CC(C5)C3)C4)cc2n(C)c1=O 5164257 BRWIQSNIZWUMTI-UHFFFAOYSA-N 389.499 3.631 0 40 GHAB C[C@@H](Oc1ccccc1C(N)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 5346817 QCPBERMDUFPJGH-MRXNPFEDSA-N 390.439 3.771 0 40 GHAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccccc1F 5511420 ROVKDMGHGBABRI-UHFFFAOYSA-N 394.468 3.507 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NC(=S)Nc2ccc(OC)cc2)c1 5894162 LXYHUCOGUKQZQE-UHFFFAOYSA-N 393.534 3.535 0 40 GHAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cccc(OCC(C)C)c1 5897364 ILFCGQLBDHTAGF-UHFFFAOYSA-N 386.473 3.855 0 40 GHAB CCCCc1ccc2nc(NC(=O)c3nc4nc(C)cc(C)n4n3)sc2c1 5978300 RBFYKMLIBDEBBK-UHFFFAOYSA-N 380.477 3.946 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccn(Cc3c(F)cccc3Cl)n2)cc1 6373279 JHRDUHLSBRMAAL-UHFFFAOYSA-N 379.844 3.833 0 40 GHAB COc1ccc(F)cc1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 6553490 CUILMKQIJSEXAC-UHFFFAOYSA-N 390.414 3.830 0 40 GHAB CCCCCNC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 6597287 FRBSIUZIUGOSOF-UHFFFAOYSA-N 388.533 3.881 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccccc1F)S2 6811854 OEPQNAWCUVVNEX-MSOLQXFVSA-N 397.479 3.686 0 40 GHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cl)c2C)cc1 6880347 PGHPICIPDQIWBE-UHFFFAOYSA-N 394.924 3.908 0 40 GHAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1NC(=O)c1ccco1 7599071 HNGWLDYBHLWBCP-UHFFFAOYSA-N 378.384 3.864 0 40 GHAB COc1ccc(OCCN(C)C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 8095109 HWTILDHKZOXBHV-UHFFFAOYSA-N 394.427 3.692 0 40 GHAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(N2CCCC2=O)c1 8164670 PASDGGPXPKZAOQ-UHFFFAOYSA-N 377.488 3.686 0 40 GHAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 8169281 ICHWPSKAHDKAJQ-YBEGLDIGSA-N 386.404 3.509 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 8414607 CCQACMPMKBIGEB-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB COCCCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)c(Cl)c2)n1 8477005 RXWFRBUTZTZGEF-UHFFFAOYSA-N 384.867 3.662 0 40 GHAB CC(=O)c1cccc(NC(=O)CSc2nncn2CCc2cccs2)c1 8944493 UBMMMJJQELYJDV-UHFFFAOYSA-N 386.502 3.516 0 40 GHAB CC1(C)COc2ccc(NC(=O)c3ccc(Br)o3)cc2NC1=O 8959882 LALWUBDOIBNRGO-UHFFFAOYSA-N 379.210 3.652 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 9237258 QWHHKIRZQVNVFH-IAGOWNOFSA-N 399.907 3.946 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 9356059 QPXCUMDVXYFNTF-UHFFFAOYSA-N 380.469 3.578 0 40 GHAB C[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(-n2ccnc2)cc1 9836802 ILPOBLXCWJMCHJ-AWEZNQCLSA-N 393.472 3.794 0 40 GHAB CN1C(=O)[C@]2(OCc3ccccc3N2C(=O)NC2CCCCC2)c2ccccc21 10157782 ZWZGQWHKVMYDLK-HSZRJFAPSA-N 391.471 3.895 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)NCCc3cnn(-c4ccccc4)c3)c12 11532529 NZRWBOVWRCTCDN-UHFFFAOYSA-N 387.443 3.567 0 40 GHAB C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1nc(-c2cccnc2)n[nH]1 12114764 DBAWKCMBFROQKA-CYBMUJFWSA-N 381.867 3.819 0 40 GHAB CCOc1ccc(C(=O)N2CCC[C@H](c3noc(-c4ccccn4)n3)C2)cc1 12291949 SWTHUZRYNRKRLE-INIZCTEOSA-N 378.432 3.550 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)OCc1cn2cc(Cl)ccc2n1 12628080 XXIKBLQJQWNCCF-IFXJQAMLSA-N 399.878 3.876 0 40 GHAB CCCO[C@H]1[C@@H]([C@@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@H]12 12659555 RHQNYCLFCSCTDW-ZWJWXYIHSA-N 382.497 3.658 0 40 GHAB biogenic Cc1ccc(-c2noc(CSc3nnc(NC[C@H]4CCCO4)s3)n2)cc1 12846500 YEZQJRWSWDQRRG-CYBMUJFWSA-N 389.506 3.780 0 40 GHAB O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1)c1ccccc1Cl 13944254 GLEPLCJURDDUFN-LBPRGKRZSA-N 398.875 3.964 0 40 GHAB O=S(=O)(c1ccc(Br)cc1)N(Cc1ccc(F)cc1)C1CC1 15334319 GPERFCSNOIRFLR-UHFFFAOYSA-N 384.270 3.942 0 40 GHAB COC1=C(OC)S[C@H]2C3CC([C@@H]2S1)[C@H]1SC(OC)=C(OC)S[C@H]31 16940252 DUOXPULWBZBVCL-NRGJUXMRSA-N 392.589 3.909 0 40 GHAB COc1cccc(CNC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1 17070100 NREJPBNQNIFVCQ-UHFFFAOYSA-N 396.487 3.778 0 40 GHAB Cc1ccccc1COc1cccc2ccc(N3CCC(C(N)=O)CC3)nc12 17135896 DJQNQHARMBZEJC-UHFFFAOYSA-N 375.472 3.824 0 40 GHAB c1cncc(CN(CCN2CCOCC2)Cc2cccc(OC3CCCC3)c2)c1 19330858 FEZSAQSSOGGIKZ-UHFFFAOYSA-N 395.547 3.737 0 40 GHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(-c2ccc(F)cc2)cc1 19336817 XEFWTLJAWPXJQD-UHFFFAOYSA-N 395.434 3.686 0 40 GHAB O=C(c1nn2cccnc2c1Cl)N1CCC(c2noc3cc(F)ccc23)CC1 19404215 LLDUQTBBGGSCJK-UHFFFAOYSA-N 399.813 3.683 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)C[C@H](C)n2nnc3ccccc32)cc1OC 19455251 KJGPCJKZALLNQD-MAUKXSAKSA-N 394.475 3.763 0 40 GHAB COc1cccc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)c1 19564307 XWRWRAIVSCZKKR-UHFFFAOYSA-N 395.484 3.527 0 40 GHAB COc1ccc2oc(C(=O)N3CCC[C@@H](c4cc(=O)cc(C)[nH]4)C3)c(C)c2c1 19570178 PPDMFFOTHIKBOS-OAHLLOKOSA-N 380.444 3.766 0 40 GHAB COc1cccc([C@@H]2CN(C(=O)c3cccc(F)c3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 19712838 PRQILPRZRPXNJE-VWPQPMDRSA-N 396.462 3.501 0 40 GHAB O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)Nc1cccc(Cl)c1Cl 20103368 DOEMSHMQLNXANR-CYBMUJFWSA-N 375.215 3.519 0 40 GHAB CCOc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CN(CC)CC3 20289941 IPWAOSPOOTXGRU-UHFFFAOYSA-N 396.516 3.908 0 40 GHAB O=C(COCc1cc(-c2ccco2)on1)Nc1ccc(Br)cc1F 20479732 OQIMRAOXMUEWRX-UHFFFAOYSA-N 395.184 3.992 0 40 GHAB CCOc1ccc(CN(CC)S(=O)(=O)c2cc(C)ccc2C)cc1OC 22278744 GUIKBIPNPLQMEF-UHFFFAOYSA-N 377.506 3.922 0 40 GHAB C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)NCc1ccccc1F 22575844 IOPUDJTYWQLYOH-OAHLLOKOSA-N 382.435 3.878 0 40 GHAB C[C@@H](NC(=O)CN1CCN(Cc2cccs2)CC1)c1cccc2ccccc12 22792871 OMQOINSTXZUKBG-GOSISDBHSA-N 393.556 3.896 0 40 GHAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(Cc2ccco2)CC1 22934654 QNTZVHNVFBDTBY-ZDUSSCGKSA-N 382.291 3.731 0 40 GHAB Cc1ccccc1N1CCN(C[C@H](O)COc2ccc3ccccc3c2)CC1 23109858 CCCDORBWAPHSQK-QFIPXVFZSA-N 376.500 3.710 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)NCCc1ccc(Cl)cc1)c1ccccc1F 29317249 BMTOWJNVANTTJH-SFHVURJKSA-N 386.858 3.844 0 40 GHAB O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1ccccc1Br 29396057 ITZPHQKZQZHHMO-UHFFFAOYSA-N 386.233 3.849 0 40 GHAB CN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc2ccccc2c1 31776906 QYZJVGLZGZGMNJ-UHFFFAOYSA-N 388.876 3.996 0 40 GHAB CC(=O)c1ccc(NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 32718865 QZIHDKHKDFTXAN-HXUWFJFHSA-N 394.471 3.826 0 40 GHAB O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccccc1-c1cccs1 32770950 KMRNCOVEIJJBDP-UHFFFAOYSA-N 383.448 3.992 0 40 GHAB COc1ccc(-c2noc(COC(=O)c3cccc4c3O[C@@H](C)[C@@H]4C)n2)cc1 32836021 XPWHSXMKMYXHGT-STQMWFEESA-N 380.400 3.987 0 40 GHAB COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1COc1ccc2c(c1)CCC2 36612334 ZKMRWIFLXLNFGU-AZUAARDMSA-N 385.485 3.551 0 40 GHAB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccccc1C(F)(F)F 40478644 WPOAWUZYRSCJAV-UHFFFAOYSA-N 375.350 3.616 0 40 GHAB O=c1[nH]c(CSc2nnc(-c3ccco3)o2)nc2sc3c(c12)CCCC3 44508416 DBMSCCWGFRARNT-UHFFFAOYSA-N 386.458 3.799 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cn2ccnc2)cc1 44855716 LIHSTILLYMHUQH-HXUWFJFHSA-N 391.471 3.972 0 40 GHAB CCc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3nc(C)ccc23)cc1 49004847 LTRRWKCADMYHDY-UHFFFAOYSA-N 376.460 3.717 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 55012190 SDVQZTHZPOVSJA-INIZCTEOSA-N 385.533 3.566 0 40 GHAB Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)nc2)oc2c1ccc1ccccc12 55366139 JAEBCIGXFQLSAX-UHFFFAOYSA-N 380.425 3.945 0 40 GHAB COc1ccc(CCN(C)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1OC 58135454 MRZFZWYTHUGWNK-UHFFFAOYSA-N 398.425 3.999 0 40 GHAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(NC2CC2)nc1 64879373 AYMKAPZGBYUKJE-UHFFFAOYSA-N 378.354 3.885 0 40 GHAB C[C@@H](OC[C@H]1CCCCO1)C(=O)N(CCc1ccccc1)Cc1cccnc1 66942730 DMEBMQWRXNWOPJ-DENIHFKCSA-N 382.504 3.627 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)c1 67236025 DXWABKYVCHDWLB-UHFFFAOYSA-N 384.505 3.962 0 40 GHAB O=c1[nH]c(N(Cc2ccccc2)Cc2ccco2)nc2c1cnn2-c1ccccc1 72313834 KJGGFAKAWPPWKC-UHFFFAOYSA-N 397.438 3.909 0 40 GHAB COc1cccc2sc(N3CC(OC(=O)c4c(F)cccc4F)C3)nc12 77200593 PYIPRCZTNOFGHH-UHFFFAOYSA-N 376.384 3.629 0 40 GHAB COc1ccc(OC)c2c1CN(C(=O)Cc1cc(Cl)ccc1Cl)C[C@@H]2O 78718441 SEILEDRGWUSCNR-HNNXBMFYSA-N 396.270 3.629 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1cccc(Cl)c1 79092593 ABAWZGSDFNENJO-NSHDSACASA-N 378.881 3.609 0 40 GHAB O=C(Nc1cccc(C2SCCS2)c1)[C@H]1CCCN(C(=O)C2CC2)C1 84374393 FKCCCVHNMXQOPT-HNNXBMFYSA-N 376.547 3.752 0 40 GHAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cc(C)no3)n2)cc1 95481817 QHGQOXNLWBSJSJ-UHFFFAOYSA-N 376.372 3.961 0 40 GHAB COc1cccc2c1ccn2CC(=O)N[C@@H](CC(C)C)c1nnc2ccccn12 96117823 KKIWGIOVNLYBCB-KRWDZBQOSA-N 391.475 3.596 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211700 JORGICZFVTXMSQ-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB Cc1ccccc1C(=O)NC1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1 98212896 BJPPCZVBBURYTG-UHFFFAOYSA-N 378.451 3.923 0 40 GHAB CCn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(=O)c2cc(Cl)ccc21 181825495 BPQULZZIWWRPCX-UHFFFAOYSA-N 395.890 3.637 0 40 GHAB O=C(O)/C=C\C(=O)Nc1ccccc1C(=O)Nc1ccccc1C(F)(F)F 214403935 QIPRDZFUAMDFSY-KTKRTIGZSA-N 378.306 3.537 0 40 GHAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cn2)C1 224046213 PWQCZZGDKHAVEA-GASCZTMLSA-N 398.532 3.779 0 40 GHAB Cc1ccccc1N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O 224641271 KTUHYZKUMDBGQY-UHFFFAOYSA-N 382.570 3.872 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C 224665832 JUEXAMTVSLKXJW-LJQANCHMSA-N 382.504 3.626 0 40 GHAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(OC)c(OC)c3)o2)c1 224847312 WYYMNNNWHVFXOG-UHFFFAOYSA-N 382.416 3.939 0 40 GHAB Cc1cccc(NC(=O)C(=O)NCC2(c3ccc([C@H](C)O)s3)CCCC2)c1 225685063 MMBBCAIICVDGQA-HNNXBMFYSA-N 386.517 3.677 0 40 GHAB O=C1C(=O)N(c2cccnc2)[C@@H](c2ccccc2Cl)[C@@H]1C(=O)c1ccccc1 245015201 LQLIFPNCYWJSQV-MOPGFXCFSA-N 390.826 3.891 0 40 GHAB Cc1nc(N2CCC(NC(=O)Nc3ccccc3C)CC2)cc(C(F)(F)F)n1 253473868 ZJXMILJZQDSEMK-UHFFFAOYSA-N 393.413 3.903 0 40 GHAB CCC1(COC(OCC2(CC)COCOC2)[C@H]2CC=CCC2)COCOC1 255190350 WRQCLKNQCCQFNO-SFHVURJKSA-N 384.513 3.503 0 40 GHAB O=C(CN1CCCCC1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257305873 SRXBDFRJFRUKPW-SFHVURJKSA-N 385.483 3.596 0 40 GHAB CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257366570 WSKVAEGKMKDBPR-KKIGLAAZSA-N 389.499 3.633 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C(=O)[C@@H]2C1 408676037 CPDMQLHHJRTHAR-RTBURBONSA-N 378.403 3.924 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)NCC1(Cc3ccc(F)cc3)CC1)CC2 537796207 UKOAEOUSOQGSCV-UHFFFAOYSA-N 398.478 3.934 0 40 GHAB FC(F)(F)c1ccnc(CCN=c2[nH]c(-c3cccnc3)nc3c2CCC3)c1 558973018 NCMLCMYBEVLAAN-UHFFFAOYSA-N 385.393 3.518 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NCC[C@@H](CCO)c2ccsc2)c1C 575606522 HRHXCGGRLYJEMH-KRWDZBQOSA-N 381.563 3.816 0 40 GHAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCc3sc(Cl)cc3C2)cc1 575617063 WZLRXGCKRBGXQU-UHFFFAOYSA-N 397.949 3.711 0 40 GHAB CC1(C(=O)NCCc2ccc3c[nH]nc3c2)CCN(Cc2ccccc2)CC1 585082188 YJXQWJAPPLLJOG-UHFFFAOYSA-N 376.504 3.524 0 40 GHAB Cc1c(C)[n+](C)c([C@@H](CC(=O)O)c2ccc(-c3nc4ccccc4s3)o2)n1O 604419702 VFBMBGVXGQDJEF-ZDUSSCGKSA-O 398.464 3.643 0 40 GHAB C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)C1 623208237 NNTZQYKUWRLJCO-HFTRVMKXSA-N 396.539 3.648 0 40 GHAB O=C(Nc1cnc(CC2CC2)nc1)N1CCC(c2ccc3cccnc3n2)CC1 654070087 NBEMPROTOWNRJP-UHFFFAOYSA-N 388.475 3.784 0 40 GHAB C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1Br 660228652 QZGKWPSKVWLLQE-GDBMZVCRSA-N 394.357 3.931 0 40 GHAB CC(=O)N1CCN(Cc2scnc2C)C[C@H](Cc2ccc3ncccc3c2)C1 2037845530 ADUVKKSPVIATAK-IBGZPJMESA-N 394.544 3.523 0 40 GHAB COc1ccc(C(=O)CSc2nc(COc3ccc(C)cc3)n[nH]2)cc1OC 2662586 NSWJXXHKANWWCW-UHFFFAOYSA-N 399.472 3.684 0 40 GHAB Cc1cccc(N2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)CC2)c1C 2639535 WJTZTXNYXUAUIX-UHFFFAOYSA-N 394.515 3.745 0 40 GHAB COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NCc2ccc(F)cc2)cc1 1381057 KCPURLSILKWUSH-IBGZPJMESA-N 383.375 3.642 0 40 GHAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1472325 XBOJMUOFTQRKOH-UHFFFAOYSA-N 388.489 3.508 0 40 GHAB CC(C)(C(=O)O)c1ccc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 78869374 FAIJMCIEDZVJOC-UHFFFAOYSA-N 389.260 3.551 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)c3ccc(OC)c(OC)c3)o2)cc1 3458839 PJUSUJNVWAWCNQ-UHFFFAOYSA-N 386.429 3.737 0 40 GHAB O=C(c1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 4231144 UXIBNOLPLCJYNA-UHFFFAOYSA-N 390.439 3.842 0 40 GHAB O=C(CN1CCC(NC(=O)c2cccc3ccccc23)CC1)Nc1ccccc1 22383722 QRDJNJDGNILCPX-UHFFFAOYSA-N 387.483 3.673 0 40 GHAB CCc1cc2cc3c(cc2nc1SCC(=O)NCCc1ccccc1)OCO3 4849532 QZEUNHLUXYGREM-UHFFFAOYSA-N 394.496 3.977 0 40 GHAB CCCNC(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(C)c1C 4857927 OUSAOTKKNMYAMT-UHFFFAOYSA-N 381.505 3.564 0 40 GHAB Cc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 6476597 CULOVDMUIWCQAF-UHFFFAOYSA-N 388.533 3.661 0 40 GHAB CCOc1ccc(-n2c(C)nnc2SCC(=O)N(C(C)C)C(C)C)cc1 6935084 YKCJJBLDZGLPDS-UHFFFAOYSA-N 376.526 3.712 0 40 GHAB COc1ccccc1NC(=O)CCN1CCN(Cc2ccc(Cl)s2)CC1 22930967 TUVRULCTYNYTLF-UHFFFAOYSA-N 393.940 3.557 0 40 GHAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)ccc1O 832337 ZNMUQHXQBXDVCP-LJQANCHMSA-N 388.464 3.685 0 40 GHAB COc1cccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccccc3Cl)C2)c1 8210322 MKFUCHFNPHUVOQ-GOSISDBHSA-N 386.835 3.891 0 40 GHAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(CSc2ncn[nH]2)cc1 42851949 BKCWXJRPCYPUJI-ZIAGYGMSSA-N 384.427 3.948 0 40 GHAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cc(C(=O)O)ccc1OC 23744577 NTVFBELZVALFRY-UHFFFAOYSA-N 393.461 3.500 0 40 GHAB O=C(Nc1cccc(OCCn2ccnc2)c1)c1csc(-c2ccco2)n1 43243685 NRTGQYRJIMXSSI-UHFFFAOYSA-N 380.429 3.931 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nncn2-c2ccc(C)cc2C)c1C 25097969 ZHLJYEGKMIEYSU-UHFFFAOYSA-N 398.488 3.591 0 40 GHAB CCN1CCN(c2ccc(NC(=O)CCC(=O)c3ccc(F)cc3)c(C)c2)CC1 25185160 XQSVICDXHKCCCQ-UHFFFAOYSA-N 397.494 3.878 0 40 GHAB O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCc2ccccc2C1 12536011 INFBOLNVWBBIBW-UHFFFAOYSA-N 392.480 3.686 0 40 GHAB CC(C)C[C@@H](c1nnnn1C1CCCC1)N1CCN(Cc2ccccc2)CC1 20121724 PNWBLBIFKOTZKK-NRFANRHFSA-N 382.556 3.693 0 40 GHAB Cn1ccc(C(=O)Oc2ccc(C(=O)Nc3nc4ccccc4s3)cc2)n1 1428187 SJSOJLGTXYKUBK-UHFFFAOYSA-N 378.413 3.501 0 40 GHAB CN(CC(=O)c1ccc(N2CCCC2=O)cc1)Cc1nc2ccccc2s1 35269227 GOEXOOFUHCXRSF-UHFFFAOYSA-N 379.485 3.738 0 40 GHAB O=C1c2ccc(C(=O)N3CCCc4ccccc43)cc2C(=O)N1Cc1ccco1 12789060 MSRSPDUPZHJKLW-UHFFFAOYSA-N 386.407 3.669 0 40 GHAB COc1cccc(OCCCCn2c(CN3CCOCC3)nc3ccccc32)c1 27789150 ZUHXCEQBDUQRSG-UHFFFAOYSA-N 395.503 3.736 0 40 GHAB Cc1cc(C)cc(C[C@@H](C)CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 2116315 SOEFXGRFVYTYCH-NRSPTQNISA-N 378.516 3.680 0 40 GHAB biogenic C[C@H](NC(=O)Nc1cccc(-c2nnnn2C)c1)c1ccc2c(c1)CCCC2 58428223 VBPZZANEWXERQY-AWEZNQCLSA-N 376.464 3.639 0 40 GHAB CCCCNC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 2296915 DZMFNQIMGYHBMO-UHFFFAOYSA-N 389.459 3.694 0 40 GHAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)cc2Cl)c1 20606149 CIGHPEZOBMIUNR-YNHQPCIGSA-N 388.254 3.550 0 40 GHAB CCOc1ncccc1CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 23101944 NITPLWNHILBTJC-UHFFFAOYSA-N 394.450 3.614 0 40 GHAB CCCCCCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12 2215874 NBMUXEVLTSPDFO-UHFFFAOYSA-N 383.496 3.513 0 40 GHAB O=C(CCCCCn1sc2ccccc2c1=O)Nc1nnc(C2CC2)s1 36366324 FCJKBWIYMREYOP-UHFFFAOYSA-N 388.518 3.991 0 40 GHAB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)no2)ccc1OCCC(C)C 10993638 BTEGVIIGVPGKSB-AWEZNQCLSA-N 390.436 3.601 0 40 GHAB C[C@H](NC(=O)c1ccc(Br)cc1F)c1ccc(-n2cncn2)cc1 12852661 VRFBVHJIEGNJIE-NSHDSACASA-N 389.228 3.660 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)c3sc(-c4ccccn4)nc3C)ccc21 12872060 OALSDDVGQJDJOZ-UHFFFAOYSA-N 378.457 3.675 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)Nc1nc2ccccc2s1 11615524 GCUNIKDMXZBAKB-UHFFFAOYSA-N 399.291 3.868 0 40 GHAB O=c1c(Cl)c(N2CCO[C@@H](c3ccc(F)cc3)C2)cnn1-c1ccccc1 29528060 LFDNZVHNFNXPSD-GOSISDBHSA-N 385.826 3.603 0 40 GHAB CN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 12980009 WXWUYZPYADKWEO-UHFFFAOYSA-N 397.843 3.942 0 40 GHAB Cc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)o1 8939955 YEVVHMBKHPWWCA-UHFFFAOYSA-N 377.444 3.911 0 40 GHAB CCc1cc2c(=O)n(CCc3ccc(OC)c(OC)c3)c(=S)[nH]c2s1 3886908 XOEHWRNANCATGT-UHFFFAOYSA-N 376.503 3.943 0 40 GHAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(Br)cc1 5018944 LXGILPWXGKJGJK-UHFFFAOYSA-N 380.263 3.951 0 40 GHAB CCCCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 13736334 NJFAGPCQYFHWTO-KGLIPLIRSA-N 393.361 3.868 0 40 GHAB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 5142045 SVGZLLYOEWUMMB-OAHLLOKOSA-N 398.311 3.823 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(C[C@H]1CCCO1)C3=O 5164385 MFPOOANXSNVSMM-UZLBHIALSA-N 393.414 3.965 0 40 GHAB COc1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c1OC 5219713 PIXPLLXUIRFZQD-HJSOSKBTSA-N 378.472 3.731 0 40 GHAB O=C(CSc1ccc(O)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 65493342 DDGMQQDXTQWPDA-UHFFFAOYSA-N 396.434 3.852 0 40 GHAB C[C@H](NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1)c1cccc(F)c1 65551205 SRZVVOYFWODRBO-WDEREUQCSA-N 376.482 3.873 0 40 GHAB O=C(Nc1cccnc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 14213345 PPEMKIGDFWVLKA-UHFFFAOYSA-N 377.366 3.591 0 40 GHAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(C)(C)C)cc3)C2=O)cc1 6510717 BPKKUDVDGDKLBV-QHCPKHFHSA-N 393.487 3.698 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 9237260 QWHHKIRZQVNVFH-DLBZAZTESA-N 399.907 3.946 0 40 GHAB NC(=O)C1CCN(C(=S)c2ccc(OCc3ccc(Cl)cc3)cc2)CC1 4739991 KIDKUQXSXSADKH-UHFFFAOYSA-N 388.920 3.792 0 40 GHAB O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)Nc1ccccn1 4734491 WPLFDJXAEGZHRU-QFIPXVFZSA-N 382.423 3.747 0 40 GHAB CCOCc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 4740436 BAMPXAWYDUBLBY-UHFFFAOYSA-N 378.841 3.944 0 40 GHAB COCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(F)cc1 6752836 PHRZTQMKWKRMAO-FQEVSTJZSA-N 381.407 3.503 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CSc1ccccc1 6919280 RNKIWRBIRSQYQB-UHFFFAOYSA-N 395.484 3.763 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O 7023898 SHCZSAAZBPMRQD-GJZGRUSLSA-N 381.501 3.915 0 40 GHAB O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1ccc2ccccc2n1 7166677 TZCKFKLWEGCHOE-UHFFFAOYSA-N 391.452 3.540 0 40 GHAB O=c1/c(=C/c2cccc(F)c2)sc2nc(/C=C/c3ccc(Cl)cc3)nn12 16735176 LSBMRCSBYAZZQL-SAEKGINCSA-N 383.835 3.662 0 40 GHAB Cc1c(Cl)c(CSc2nnnn2C[C@H]2CCCO2)nc2ccccc12 8324912 NWHLJIXOUJMFNB-GFCCVEGCSA-N 375.885 3.654 0 40 GHAB O=C(Cn1ccc2c(Br)cccc21)Nc1ccc2c(c1)COC2=O 95473447 YTIGDXKGYOPESW-UHFFFAOYSA-N 385.217 3.713 0 40 GHAB Cc1nn(C)c(C)c1[C@H](NCc1nc2cc(Cl)ccc2n1C)C(F)(F)F 89505660 CSLDQDBSSJYSKL-INIZCTEOSA-N 385.821 3.970 0 40 GHAB COc1ccc([C@@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4[nH]cc2c34)cc1O 1547204180 LRJRWPACLDARJN-IBGZPJMESA-N 389.411 3.732 0 40 GHAB Cc1cc2nc(SCC(=O)Nc3ccccc3F)n(CC(C)C)c(=O)c2[nH]1 67237726 YZNFPBSCGHDGTQ-UHFFFAOYSA-N 388.468 3.559 0 40 GHAB COc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 20035150 CZIRHCVCOSKLPF-HNNXBMFYSA-N 389.517 3.942 0 40 GHAB CCN(CC)C(=S)Oc1ccc(C(=O)Nc2ccc3nccnc3c2)cc1 408978143 YIYFDKKFQBBELH-UHFFFAOYSA-N 380.473 3.888 0 40 GHAB O[C@H](Cc1ccc(C(F)(F)F)cc1)CN1CC[C@H](n2ncc3ccccc32)C1 510407832 ULUWBEDNHULEFD-RBUKOAKNSA-N 389.421 3.906 0 40 GHAB Cc1c(OCC(=O)NCc2cccc(Cl)c2)c(=O)ccn1CCC(C)C 524732398 YYROVESTAYQZJH-UHFFFAOYSA-N 376.884 3.551 0 40 GHAB C[C@@H]1CN(C(=O)c2c(C(F)F)nc3cnccn23)CC[C@H](c2ccccc2)O1 1553976013 PKHSAHSDGUZSGL-UKRRQHHQSA-N 386.402 3.659 0 40 GHAB CC[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 219263256 WWJSGIKASHDPBV-SFHVURJKSA-N 395.521 3.730 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC(n2cnc3ccccc32)CC1 35289473 MIJYZVDXIJKCRB-UHFFFAOYSA-N 375.881 3.716 0 40 GHAB O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1cnc2ccccc2n1 62017503 GDVFGBFEJMHLOC-UHFFFAOYSA-N 385.305 3.951 0 40 GHAB COc1cccc2cc(C(=O)NC[C@](O)(c3ccccc3)C(F)(F)F)oc12 70636421 WLFATKKBJPLSOX-SFHVURJKSA-N 379.334 3.621 0 40 GHAB O=C1CN(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2Cl)CCN1 32915407 BWZCZLUGCHJJHR-UHFFFAOYSA-N 398.677 3.835 0 40 GHAB COc1cccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 219306788 NQKPNUVYNOSAKK-AUUYWEPGSA-N 385.460 3.890 0 40 GHAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1C 219225342 MWSQADWGXDJMLA-KRWDZBQOSA-N 386.517 3.778 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)CSc2ccc(OC)c(OC)c2)c1 44945698 ZRHVKUVFSUTJMK-UHFFFAOYSA-N 375.446 3.530 0 40 GHAB COc1ccc(C2(CNC(=O)c3cc(-c4cccs4)n[nH]3)CCOCC2)cc1 49513568 JTPPCHSNBKCBCM-UHFFFAOYSA-N 397.500 3.625 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3SC)ccc21 225726870 JEEGMHIOYBNQAH-UHFFFAOYSA-N 394.543 3.996 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCc2nc(-c3ccccc3C)no2)c1 225829090 HJZSJRJOJATPJA-UHFFFAOYSA-N 396.472 3.708 0 40 GHAB COc1ccc(N2C[C@H](c3noc(-c4cccc(Cl)c4)n3)CC2=O)cc1OC 44417737 JVBINQSPBYOQSQ-CYBMUJFWSA-N 399.834 3.928 0 40 GHAB CCN(CC)C(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225987892 VLTHLRMDDDFJHG-UHFFFAOYSA-N 394.924 3.576 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 136535722 APKKQRMRYSQWFH-LSBZLQRGSA-N 392.455 3.873 0 40 GHAB CN(c1ccc(C(=O)NC2CC2)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224246025 KVYXVFJPWOXUJC-UHFFFAOYSA-N 399.299 3.711 0 40 GHAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(C(C)C)cc2)ccc1Cl 223897661 BWDLRTBXZSBUPC-UHFFFAOYSA-N 381.881 3.729 0 40 GHAB Fc1ccc2c(C3CCN(c4ncc(Br)cn4)CC3)noc2c1 291249959 YFYIARCKTQCMII-UHFFFAOYSA-N 377.217 3.903 0 40 GHAB O=S(=O)(N[C@@H]1CCC12CCN(Cc1ccc(F)cc1)CC2)c1ccccc1 96051632 AAHDCUJLLFJGGC-HXUWFJFHSA-N 388.508 3.549 0 40 GHAB Cn1cncc1CNS(=O)(=O)c1cc(Cl)ccc1OCC1CCCCC1 585084748 ONZOANNDSCCFAY-UHFFFAOYSA-N 397.928 3.511 0 40 GHAB CN(Cc1cccnc1)C[C@@H]1CCCN(C(=O)c2ccccc2OC2CC2)C1 585083167 WJBTWARBSHDCMW-IBGZPJMESA-N 379.504 3.607 0 40 GHAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)Cc2ccccc2F)n1 257310831 UGUUKDVWCLSWDT-LJQANCHMSA-N 380.423 3.794 0 40 GHAB O=C(Cn1cccn1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257231185 GFQMVAPPCSCIDF-GOSISDBHSA-N 384.867 3.869 0 40 GHAB CCCCOc1ccccc1-c1cc2c(=O)n(Cc3c(C)noc3C)ccn2n1 90610217 DPAYWOVJOZZQBF-UHFFFAOYSA-N 392.459 3.995 0 40 GHAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)Cc3ccc(SC(C)C)cc3)C2)n1 390827988 MYISHJIUXGBUJT-SFHVURJKSA-N 385.533 3.816 0 40 GHAB CC(C)(C)OC(=O)N1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1 396140933 XPFCRXRGCSKEGO-UHFFFAOYSA-N 384.517 3.802 0 40 GHAB COc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc1OC 585290036 QGFIDCITLUXNRI-FBBABVLZSA-N 391.895 3.808 0 40 GHAB O=C(O)[C@@H]1CS[C@H](c2c(-c3ccccc3)nn(-c3ccccc3)c2Cl)N1 940106 ONWWAQHJGGGUDX-KBXCAEBGSA-N 385.876 3.981 0 40 GHAB C[C@H]1CCCCN1CCNc1ncc(-c2cnccn2)c(-c2cccs2)n1 12239922 MIMORLAVLJDNHO-HNNXBMFYSA-N 380.521 3.948 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(OC(C)C)c1)N(c1ccccc1)S(C)(=O)=O 13711636 PIWRMOPMHMUXMH-IBGZPJMESA-N 390.505 3.657 0 40 GHAB CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715174 JDPGYDYWXSGWKX-SFHVURJKSA-N 378.469 3.626 0 40 GHAB CCCCCCNC(=S)N1CCN(C(=S)NCCCCCC)[C@@H](C)C1 16638077 RBNQPMYBPUEGDA-KRWDZBQOSA-N 386.675 3.902 0 40 GHAB C[C@H]1CC[C@@H]2C(=O)N(c3cccc(OCC(=O)c4ccccc4)c3)C(=O)[C@@H]2C1 18241504 ZVXZWKWVQJEULI-RYGJVYDSSA-N 377.440 3.874 0 40 GHAB O=C(NC1CCN(CC2(c3ccccc3)CCCC2)CC1)c1n[nH]cc1Cl 19369743 KKKPUCRTNWKBLK-UHFFFAOYSA-N 386.927 3.769 0 40 GHAB Cc1cc(C(=O)N[C@H](c2nc3c4c(C)c(C)oc4ncn3n2)C(C)C)cs1 19571990 ASZQLISCQWTIDD-HNNXBMFYSA-N 383.477 3.984 0 40 GHAB COc1ccccc1[C@@H]1CCCN1CC(=O)Nc1ccc(-n2ccnc2)cc1 19657962 KVFJVQVUCOBAKI-FQEVSTJZSA-N 376.460 3.657 0 40 GHAB O=C(NCc1nnc(-c2ccccc2)o1)c1cc(-c2ccccc2Cl)no1 19716809 CUHNUMAMCJHRTP-UHFFFAOYSA-N 380.791 3.975 0 40 GHAB Cn1nc(-c2cccs2)cc1C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220753770 FEJKZWGBEXLQRW-CYBMUJFWSA-N 397.504 3.504 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccccc2)C1 19591737 WDNXRHMBTHLBJJ-VWLOTQADSA-N 385.511 3.929 0 40 GHAB C[C@@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1ccccc1-c1ccccc1 9753491 LQFWBORJVMDEQH-MRXNPFEDSA-N 385.427 3.735 0 40 GHAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1cc(Cl)ccc1C 13367643 OCRWKSWDVBWNRO-VMPITWQZSA-N 381.837 3.556 0 40 GHAB COc1ccc(NC(=O)c2ccccc2I)cc1OC 2181306 IMDBISGKWOKHDY-UHFFFAOYSA-N 383.185 3.561 0 40 GHAB O=C1C[C@]2(CCCN(Cc3ccc(F)c(F)c3)CC2)Nc2ccccc2CN1 2037988910 NGHYJLQEJPQLEU-JOCHJYFZSA-N 385.458 3.822 0 40 GHAB COc1ccc(CN2CCC[C@@]3(CC2)CC(=O)NCc2ccccc2N3)c(F)c1 2037988973 PQZKLCDNBWIUNM-HSZRJFAPSA-N 397.494 3.691 0 40 GHAB COc1ccc([C@@]2(O)CN(c3ccccc3C)C3=[N+]2CCCCC3)cc1OC 2974634 FBKXYDGDZWGCBU-QHCPKHFHSA-N 381.496 3.663 0 40 GHAB CCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(Br)c1 4008680 MVFSCGYIRIMFTG-OAHLLOKOSA-N 399.260 3.950 0 40 GHAB Cc1cc(C)cc(N(C(=O)CCCc2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 4165590 MXJTYFRQERDPMW-FQEVSTJZSA-N 383.513 3.970 0 40 GHAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C)nc2O)cc1 4317410 RQJAYJBBPVORMK-UHFFFAOYSA-N 380.473 3.516 0 40 GHAB COc1ccc2sc(N(Cc3ccco3)C(=O)c3cc(C)n(C)n3)nc2c1 9122271 MMVQTQIGCJLFDL-UHFFFAOYSA-N 382.445 3.787 0 40 GHAB COc1ccccc1CC(=O)N1[C@H]2CC[C@H]1CC(n1cc(C(C)(C)C)nn1)C2 1775976199 VYKLVXJANAKZLE-IRXDYDNUSA-N 382.508 3.521 0 40 GHAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)S2 5234361 KGVGIVXWIWXRGG-UHFFFAOYSA-N 399.449 3.673 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)n1 33095851 IXBUIALWFJAMLX-INIZCTEOSA-N 378.259 3.940 0 40 GHAB Cc1ccc2nc(C)cc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)c2c1 40050317 XPAYLGKFMOTGHW-KRWDZBQOSA-N 385.471 3.914 0 40 GHAB C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1Oc1cccc(F)c1 40094375 NVMBONUECFOLMW-ZDUSSCGKSA-N 389.427 3.542 0 40 GHAB CCN(CC)C(=O)COc1cccc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c1 40133819 ZASCWMMTMHOLQM-UHFFFAOYSA-N 398.459 3.607 0 40 GHAB O=C(NCCc1ccc2c(c1)OCCO2)c1cccnc1Oc1ccccc1 31353021 GSYSFJFRTJMLND-UHFFFAOYSA-N 376.412 3.618 0 40 GHAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc(N2CCCC2=O)c1 32776653 KZQXIWUMXWPHMR-FQEVSTJZSA-N 380.444 3.624 0 40 GHAB CC(=O)N[C@H](CC(=O)NCCCCOc1ccc(Cl)cc1)c1cccs1 21418785 ORLJTUPOFSPBDM-QGZVFWFLSA-N 394.924 3.944 0 40 GHAB Cc1cc(C)cc(-n2nnnc2SCc2cc(=O)oc3c(C)c(O)ccc23)c1 21508160 LDKGQAMLFDJZGS-UHFFFAOYSA-N 394.456 3.692 0 40 GHAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)C3CC3)c3nnnn3c12 1376803 VEZBXPNHPQHSOJ-UHFFFAOYSA-N 377.473 3.586 0 40 GHAB Cc1ccc2c(c1)cc(CN(Cc1ccccc1)C(=O)C(F)(F)F)c1nnnn12 1376921 BDCYVPYESWFIQO-UHFFFAOYSA-N 399.376 3.677 0 40 GHAB Cc1ccc([C@H](NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 2227148 HVERMCHFBRXIGA-HTAPYJJXSA-N 398.462 3.885 0 40 GHAB CCn1c(SCC(=O)c2ccccc2)nc2nc3c(cc2c1=O)CCCC3 2403473 VKYAJKJZAQGHQL-UHFFFAOYSA-N 379.485 3.665 0 40 GHAB O=C(CCc1nc2ccccc2s1)OCc1cc(=O)oc2cc(O)ccc12 2631378 CEOZBYNZJXGXDD-UHFFFAOYSA-N 381.409 3.784 0 40 GHAB CCN(Cc1ccccc1)C(=O)COC(=O)CCc1nc2ccccc2s1 3248822 KYGQTSCEKQZMGY-UHFFFAOYSA-N 382.485 3.821 0 40 GHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 3559593 JHRYGUQMSZBCHK-UHFFFAOYSA-N 380.469 3.856 0 40 GHAB COC(=O)c1ccc2c(=O)n(-c3cccc(C(F)(F)F)c3)c(=S)[nH]c2c1 3629978 QEFXJVSQLGDJFN-UHFFFAOYSA-N 380.347 3.854 0 40 GHAB Cc1oc2cc(OCC(=O)O)ccc2c(=O)c1-c1ccc(Br)cc1 3653131 PGCBIVGNSXIAKD-UHFFFAOYSA-N 389.201 3.994 0 40 GHAB CN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21 4006793 QBUSRYCFEYFUOC-CYVLTUHYSA-N 379.419 3.903 0 40 GHAB COC(=O)[C@H]1CC(=O)[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 4104862 LBPKNGBNCCAHKH-LNOYVALUSA-N 390.520 3.929 0 40 GHAB biogenic,in-vitro COCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccco1 4161496 RYZNTKHCGQETOP-UHFFFAOYSA-N 392.868 3.569 0 40 GHAB O=C(Nc1ccc(Br)cc1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4373885 DZRWCTWMMJMPDM-AWEZNQCLSA-N 392.228 3.515 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 4375482 IMSYHPUTBPEEIH-UHFFFAOYSA-N 383.448 3.555 0 40 GHAB O=C(COC(=O)c1ccc(OC(F)F)cc1)NC12CC3CC(CC(C3)C1)C2 4580446 FKFXJIZHSREHIH-UHFFFAOYSA-N 379.403 3.530 0 40 GHAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCc3cccnc3)ccc12 5321497 CFPVJSMHDZOZHX-HNNXBMFYSA-N 380.444 3.533 0 40 GHAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 6296306 KXNBQTJVSZUSPW-WOJGMQOQSA-N 381.409 3.531 0 40 GHAB Cc1cc(NC(=O)CSc2nc3ncc(Cl)cc3[nH]2)n(-c2ccccc2)n1 6579954 GUINUTMFYPPEBW-UHFFFAOYSA-N 398.879 3.836 0 40 GHAB CCCNC(=O)CSc1cn(CC(=O)N(C(C)C)C(C)C)c2ccccc12 6867555 ZBQCVKGQIMPCHX-UHFFFAOYSA-N 389.565 3.905 0 40 GHAB CCN(CC)CCn1c(-n2c(=S)[nH]c3ccccc3c2=O)nc2ccccc21 6869565 IWZQBWKOHHVFRQ-UHFFFAOYSA-N 393.516 3.740 0 40 GHAB COc1ccccc1OCC(=O)Nc1nnc(SCc2ccccc2)s1 7688085 GEWNBMRFKJPPSN-UHFFFAOYSA-N 387.486 3.857 0 40 GHAB O=C(COc1ccccc1C(=O)Nc1ccccc1)NCCc1cccs1 7751252 JYRRNNYYVPVUKU-UHFFFAOYSA-N 380.469 3.738 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1ncnc2ccccc12 8924354 BOABZCYXFWSSRM-UHFFFAOYSA-N 389.484 3.566 0 40 GHAB COc1c(F)c(F)cc2c(=O)c(C(=O)Nc3cccc(O)c3)cn(C3CC3)c12 8990228 SSORCYGZVKULIS-UHFFFAOYSA-N 386.354 3.581 0 40 GHAB Cc1ccccc1-c1cc(C(=O)N2CCO[C@@H](C)C2)c2cnn(C(C)C)c2n1 9757260 ZAHZANVSNMGFMI-INIZCTEOSA-N 378.476 3.849 0 40 GHAB Cc1nc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)sc1C 10432035 PRLPTYFIFTZWBU-UHFFFAOYSA-N 381.457 3.592 0 40 GHAB O=C(Nc1cccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C1CC1 10668455 NFIMHTQHHZTWTE-UHFFFAOYSA-N 399.299 3.820 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1F 11612630 KTXFNLGNPPAVLL-QGZVFWFLSA-N 390.480 3.706 0 40 GHAB CCN1CCN(c2ccc(NC(=O)[C@H]3COc4ccc(Cl)cc4C3)cc2)CC1 11951294 MTVHYBYOGYPZPF-QGZVFWFLSA-N 399.922 3.672 0 40 GHAB CN(C)CC1CCC2(CC1)CN(C(=O)c1cccnc1)Cc1ccccc1O2 12122486 QNSKXHZJFUAKRM-UHFFFAOYSA-N 379.504 3.607 0 40 GHAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2cc(C)no2)cc1 12145611 VVVYOKUEKYPXSU-KRWDZBQOSA-N 380.448 3.621 0 40 GHAB COc1cccc(N2CCCN(C(=O)c3cc4ccc(OC)cc4n3C)CC2)c1 12148675 VGLWRVFKURWBFV-UHFFFAOYSA-N 393.487 3.548 0 40 GHAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCCC1)c1cccc(N2CCCC2=O)c1 12199366 ZFRRLGXIPYONAI-NRFANRHFSA-N 395.478 3.519 0 40 GHAB Cc1nc(OC(C)C)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 12223755 GKWTWGJXQUYWAL-UHFFFAOYSA-N 390.487 3.688 0 40 GHAB O=C(N1CCCCC1)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 12365653 IILBYHOLQPORGM-UHFFFAOYSA-N 390.430 3.972 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)[C@H]2Cc3ccc(C)cc3S2)CC1 12551805 NKACUWDNHAVJPG-OAQYLSRUSA-N 381.545 3.792 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)CN1CCC[C@@H]1c1ccc(F)cc1)OCO2 12809777 HPOVJPAXSRPMGB-GOSISDBHSA-N 384.407 3.533 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccnc(N2CCCC2)c1 13003959 ZDOCVOQLPFZEJG-UHFFFAOYSA-N 376.460 3.586 0 40 GHAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)[C@@H]2CCCO2)n(C(C)C)c1C 13691228 ILUAHTZCXZYIAW-KRWDZBQOSA-N 390.505 3.636 0 40 GHAB COCCNC(=O)Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 13717119 KKZGDJZBHQITNS-UHFFFAOYSA-N 381.259 3.551 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(N2CCCC2=O)c1 14167992 FVDPCAJXMKKSLE-UHFFFAOYSA-N 376.456 3.904 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSCc1ccccc1 14171864 RHNFSKUJFNFVGY-UHFFFAOYSA-N 378.444 3.685 0 40 GHAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1nnc2ccccn12 14197117 IISJFOBBZISXEK-CQSZACIVSA-N 397.287 3.562 0 40 GHAB COc1ccc(CNC(=O)c2cnc3c(C(F)(F)F)cccc3c2O)cc1 15106226 XRAIXWZNPAXDPI-UHFFFAOYSA-N 376.334 3.898 0 40 GHAB COc1ccc(-c2noc(CCCCCNC(=O)Cc3ccc(F)cc3)n2)cc1 15177341 XDZAPGOHVPVKHR-UHFFFAOYSA-N 397.450 3.956 0 40 GHAB COc1cccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1 15734154 PAEYSEDPVAARPB-UHFFFAOYSA-N 399.472 3.564 0 40 GHAB O=C(Cn1nc(-c2ccccc2)n(-n2cccc2)c1=S)Nc1ccc(F)cc1 16806989 VYGUXAJUPZGTSS-UHFFFAOYSA-N 393.447 3.972 0 40 GHAB O=C1CCS[C@H]2CCCC[C@]2(C(=O)NC2CCCCC2)N1Cc1ccco1 17172999 KSTDDNXHTUFING-RXVVDRJESA-N 390.549 3.875 0 40 GHAB CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc(Br)cc2)s1 17249530 KWBAMBDJCUUEHF-UHFFFAOYSA-N 397.298 3.781 0 40 GHAB NC(=O)C1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1 18142608 NFVRNFIEEOVAMN-UHFFFAOYSA-N 381.863 3.550 0 40 GHAB Cc1ccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)o2)s1 19217668 VRRYMZYIMRLEIX-CQSZACIVSA-N 389.502 3.675 0 40 GHAB Cc1cccc(-c2ccc(C[C@@H]3CN(C(=O)C4CCC4)CCNC3=O)cc2)c1 19235392 AHQVSJNLGVSVMW-JOCHJYFZSA-N 376.500 3.579 0 40 GHAB CCC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)N1CCSCC1 19499706 NLAROEGDVZGTAH-OAHLLOKOSA-N 399.486 3.975 0 40 GHAB CCCC(=O)N1CCC[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)N(C)C)C1 19501226 PRONPEDCYARQRF-DEOSSOPVSA-N 393.531 3.788 0 40 GHAB COc1ccc(-c2cc(C(=O)NCCc3nc(C(C)(C)C)cs3)n[nH]2)cc1 19660051 MAIHBLLUIICTOD-UHFFFAOYSA-N 384.505 3.812 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 20459990 HVPIGYLQAVUHKW-HNNXBMFYSA-N 381.501 3.986 0 40 GHAB COc1ccc2c(c1)CCCN2C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 22282983 QWMSIMWFAXXEDB-MDWZMJQESA-N 376.456 3.815 0 40 GHAB C[C@H](C(=O)Nc1ccccc1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 22783864 ORRRFOLYVSORIV-MRXNPFEDSA-N 391.437 3.850 0 40 GHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C1(c2cccc(F)c2)CCC1 22847915 SZCWLTDVRKYULA-UHFFFAOYSA-N 377.423 3.875 0 40 GHAB Cc1noc(C)c1CSCC(=O)NCc1ccc(Br)s1 23134430 GCIVWEHOFXPADP-UHFFFAOYSA-N 375.313 3.665 0 40 GHAB COc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1Cc1ccccc1 23700757 QJHDUOVRIKSLOR-UHFFFAOYSA-N 395.480 3.942 0 40 GHAB O=C(CCc1nc(-c2ccccc2)no1)NC[C@@H](c1ccccc1)N1CCCC1 23740107 CLODNOXZGJSSAQ-FQEVSTJZSA-N 390.487 3.623 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 24986965 TZJKUYJYSBEYNV-UONOGXRCSA-N 398.454 3.780 0 40 GHAB Cc1ccn(-c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)n1 28219834 PYNAQSOMLYPYBF-UHFFFAOYSA-N 392.278 3.744 0 40 GHAB Cc1cc(C)nc(SCC(=O)NCc2ccc(CN3CCC(C)CC3)cc2)n1 29341779 PKTDEFXWDYVXQO-UHFFFAOYSA-N 398.576 3.734 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCCOc2ccccc2F)cc1 32836035 KESULTUVESQVNA-MRXNPFEDSA-N 394.512 3.586 0 40 GHAB C[C@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 32842001 CVOQKGOFBSUEEB-CYBMUJFWSA-N 394.452 3.971 0 40 GHAB COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1COc1cccc(Cl)c1 36624021 AURFSVHFWJKDET-DOTOQJQBSA-N 379.865 3.716 0 40 GHAB C[C@@H]1Cc2cc(-c3cc(CNC(=O)Cc4noc5ccccc45)no3)ccc2O1 36662314 PAOIYVTUXGOWOQ-CYBMUJFWSA-N 389.411 3.665 0 40 GHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)Nc1ccccc1C(F)(F)F 38622864 KRAJIXHRTSEUHT-HNNXBMFYSA-N 399.438 3.962 0 40 GHAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O 44840103 FVDQNMROFBTNQM-INIZCTEOSA-N 393.487 3.896 0 40 GHAB Cc1cc(CNC(=O)N[C@@H](C)CCN2CCN(c3ccccc3)CC2)ccc1F 45346043 LUGPBCVSTSAMAU-IBGZPJMESA-N 398.526 3.534 0 40 GHAB COc1ccc2ccccc2c1CNCc1cccc(OCC(=O)N(C)C)c1 48745638 LGYAYUPVFXNDEM-UHFFFAOYSA-N 378.472 3.605 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)sc1C(=O)O 50534467 RZNBEQVVJRZNBE-UHFFFAOYSA-N 390.442 3.743 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)NCc1ccccc1Cn1cccn1 57364663 VYQRTNKXGXOWJS-OAHLLOKOSA-N 398.894 3.710 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c(Nc2cccc(F)c2)n1 57506396 WBPGSEJONVLRJH-UHFFFAOYSA-N 392.434 3.562 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1NCC(F)(F)F 58202882 HAJBXMCPGDMKBQ-UHFFFAOYSA-N 375.350 3.726 0 40 GHAB CC1CCN([C@@H](CNS(=O)(=O)c2ccc(F)cc2)c2ccccc2)CC1 59932578 IWOYVGFUFXPKPE-FQEVSTJZSA-N 376.497 3.577 0 40 GHAB Cc1ccccc1CC(=O)NC1(c2nc(-c3cccnc3)no2)CCCCC1 65257801 AKLRWDLZRZRTFZ-UHFFFAOYSA-N 376.460 3.958 0 40 GHAB Cc1cn2nc(N3CCC4(CC3)C[C@H]4c3nnc(-c4ccccc4)o3)sc2n1 71889469 ULBYCITWGDZLNQ-HNNXBMFYSA-N 392.488 3.923 0 40 GHAB O=S(=O)(NC[C@@](O)(c1cccs1)C1CC1)c1cc(Cl)ccc1Cl 77099532 BGLGNXRCIYUAPC-HNNXBMFYSA-N 392.329 3.631 0 40 GHAB COc1cc(-c2nc(Cn3nc(-c4ccc(F)cc4)oc3=O)cs2)ccc1O 78995246 BSOZNXQZJXZKGI-UHFFFAOYSA-N 399.403 3.528 0 40 GHAB COc1ccccc1C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 83976200 RDXRVLMAASZRBX-UHFFFAOYSA-N 386.498 3.570 0 40 GHAB COc1ccc2nc(C3CC3)cc(C(=O)N[C@H]3CCCc4c3cnn4C)c2c1 84310597 AQPJHAFXDRISPE-SFHVURJKSA-N 376.460 3.662 0 40 GHAB C[C@@H](CNc1ccccc1)NC(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 84640165 YDONTRJGHORUBI-ROUUACIJSA-N 382.508 3.702 0 40 GHAB O=C(Nc1c[nH]ccc1=O)c1ccccc1C(=O)c1ccc(Br)cc1 95348707 SUMCSRCAVSFSQA-UHFFFAOYSA-N 397.228 3.621 0 40 GHAB C[C@H](N[C@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1ccccc1OC(F)F 95462684 JOSYNDLKTXYUFD-MAOKOLTRSA-N 396.459 3.703 0 40 GHAB COc1ccc(S[C@H](C)C(=O)N2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1 95463292 FDHDLYNREWQIOR-OAHLLOKOSA-N 392.565 3.671 0 40 GHAB CSc1ccc([C@@H](CC(=O)O)NC(=O)c2[nH]nc(C3CC3)c2Cl)cc1 95463954 BOIBVTFLVKNVKA-GFCCVEGCSA-N 379.869 3.608 0 40 GHAB CC(C)Cc1nnc([C@@H](C)N2CCN(CCOc3ccccc3Cl)CC2)o1 95958270 MYCFTAWKXSZJJR-MRXNPFEDSA-N 392.931 3.679 0 40 GHAB O=C(c1cccc2nccn12)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 95993281 DTUOIAZCIDFWMZ-INIZCTEOSA-N 378.480 3.520 0 40 GHAB O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cccc(F)c2)C1)c1ccccc1 95998702 NGQUMDCEHLHVRY-KRWDZBQOSA-N 392.434 3.821 0 40 GHAB O=C(Cn1ccc2ccc(Br)cc21)N1CC[C@]2(O)CCCC[C@H]2C1 96125598 JHGHITDBWYNVJX-HNAYVOBHSA-N 391.309 3.557 0 40 GHAB biogenic CCc1ccc(C(=O)N2CCN(c3cc(-c4ccc(OC)cc4)n[nH]3)CC2)cc1 98212531 ZQEXUWMNNIUXEI-UHFFFAOYSA-N 390.487 3.610 0 40 GHAB COc1ccccc1CN1[C@@H]2CCC[C@@H]1CC(NC(=S)NCC(C)C)C2 100425816 QXAXVXPUHLUHME-RTBURBONSA-N 375.582 3.701 0 40 GHAB CCOc1ccc(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)cc1 101276333 KSJKHVFFZXRNRN-INIZCTEOSA-N 389.249 3.592 0 40 GHAB COc1ccc(-c2nn([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)c(=S)o2)cc1 102327916 ZKIRQVPFBSWTJK-OAHLLOKOSA-N 399.403 3.525 0 40 GHAB C[C@@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1ccc(Cl)cc1 109494472 STZCLCZMZNRYDS-SNVBAGLBSA-N 387.288 3.856 0 40 GHAB Cc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1 113958098 FACKDUJXCPOSBC-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1ccc(NCCc2ccccc2)c(C(=O)O)c1 217659062 RGBPALVZRLNYHM-HNNXBMFYSA-N 390.505 3.506 0 40 GHAB COc1cc(CNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc(OC)c1OC 219043162 ZPGZMJGYLGDNJL-OAHLLOKOSA-N 395.455 3.949 0 40 GHAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 222907099 JDVIAYCUMOKDSR-GOSISDBHSA-N 396.531 3.569 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1F 223142113 QGHRVWHATWJZOC-HOTGVXAUSA-N 388.458 3.839 0 40 GHAB CCCC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)N[C@@H](C)CC 223255076 PAKKSGGARCRPOX-KBPBESRZSA-N 383.330 3.881 0 40 GHAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCOC(C)C)c1 223417035 BCPDIJITAYLOBK-RGEXLXHISA-N 386.517 3.759 0 40 GHAB COc1ccc(C(=O)N2CCN(C)CC2)cc1COc1cccc2ccccc12 224305498 VDFRBSRGLBHAQJ-UHFFFAOYSA-N 390.483 3.815 0 40 GHAB COc1cccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224425340 AZBPOMGLIBYNPF-IBGZPJMESA-N 396.531 3.817 0 40 GHAB O=C(NCc1ccc(CN2CCCC2)cc1)C1(c2ccccc2)CCOCC1 224518072 KWSYFCFPPJMJJZ-UHFFFAOYSA-N 378.516 3.647 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 224554535 PJKCHOFQWUESRY-JOCHJYFZSA-N 396.531 3.798 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1 224554791 NPARVMDEIBRREW-JOCHJYFZSA-N 396.531 3.953 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 224620697 HTUKHRXUFBHSSI-QFIPXVFZSA-N 380.532 3.832 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 225133054 ASDQMUJDYIQDDN-OAQYLSRUSA-N 382.504 3.707 0 40 GHAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1sc(C(C)C)cc1C(N)=O)[C@@H]2C(=O)O 225757172 CMENHWNZDUNOFG-IRHXVLAXSA-N 390.505 3.602 0 40 GHAB Cc1ccc(COc2ccc(/C=C/C(N)=O)cc2I)cc1 226333219 HQCDZVAWIGZDNF-VQHVLOKHSA-N 393.224 3.677 0 40 GHAB O=C(Nc1nc(-c2ccco2)cs1)c1cnc(O[C@H]2CCOC2)c(Cl)c1 253472899 QJSOXOXFNIHQSV-NSHDSACASA-N 391.836 3.872 0 40 GHAB COc1cc(C)c(CN2CC[C@H](c3n[nH]cc3-c3ccnc(N)c3)C2)c(C)c1C 257239567 HPWWFUUTAKZULJ-SFHVURJKSA-N 391.519 3.977 0 40 GHAB Cc1ccc(C(=O)N2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)cc1 306134487 NPDGVEVRBSYGSV-UHFFFAOYSA-N 398.470 3.674 0 40 GHAB NC(=O)COc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408554834 DLWXWUNBZAIYMY-KRWDZBQOSA-N 397.283 3.636 0 40 GHAB COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCN(C)C2 408575219 HJXUKJOSOFBVLW-VMPITWQZSA-N 390.892 3.828 0 40 GHAB O=C(CCSc1ccccc1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575612218 JKMGSMYWKDBQRE-OAHLLOKOSA-N 377.897 3.682 0 40 GHAB Cc1ccc(C(C)(C)CN(C)C(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)cc1 583795858 AZRPEWURVWMAAP-RBUKOAKNSA-N 384.524 3.568 0 40 GHAB COc1ccc(CN(C)C(=O)CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 585080221 LVHDTUHFSSQDJD-QGZVFWFLSA-N 384.442 3.708 0 40 GHAB O=C(Cc1cscn1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 616235971 UROWWMNNRAAXPU-LEWJYISDSA-N 395.503 3.609 0 40 GHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@H](Oc2cnsn2)C1 618257456 WTBHUAFLWAUWFI-HNNXBMFYSA-N 392.440 3.640 0 40 GHAB O=C(N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cnc2n1CCCCC2 622121357 ADWHXAAUGFJGCM-HOTGVXAUSA-N 377.492 3.942 0 40 GHAB O=C(O)[C@H](CNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21)Cc1ccc2ccccc2c1 630140734 NLIKIJYQDZLUQR-FCJDFRRUSA-N 385.463 3.785 0 40 GHAB Cn1cnnc1C1CCN(C(=O)NCCc2ccc(C3CCCCC3)cc2)CC1 661523939 LMSKSQOFDLDZNT-UHFFFAOYSA-N 395.551 3.995 0 40 GHAB CCc1nc2ccc(C(=O)NC3(C)CCC4(CC3)OCCO4)cc2nc1CC 1623378020 KBILDHQIYAFGEQ-UHFFFAOYSA-N 383.492 3.560 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)o2)cc1 875841 YVNZUFVSBGQCDF-GJZGRUSLSA-N 375.494 3.839 0 40 GHAB CC(=O)c1cccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)c1 2722971 QFKWKFAAZJQRRO-UHFFFAOYSA-N 377.425 3.673 0 40 GHAB COc1ccccc1N(C)CC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 53267752 MMNXUBLVVSNXBO-UHFFFAOYSA-N 383.879 3.851 0 40 GHAB CCCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 3508420 AMZIAEOUKNDFSK-UHFFFAOYSA-N 395.532 3.955 0 40 GHAB Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)NC1CCCC1 4524530 VOTAHEVJVVRJNN-UHFFFAOYSA-N 388.489 3.799 0 40 GHAB COc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)=NC(C)(C)C2 4594251 WHXIISIQGCTMEH-UHFFFAOYSA-N 385.460 3.902 0 40 GHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)COc2cccc(C(F)(F)F)c2)c1 6947792 GGXHCDUAHIAERT-UHFFFAOYSA-N 394.393 3.798 0 40 GHAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@@H]1c1ccc(F)cc1F 7257663 XUNKIBQJEURMFL-QGZVFWFLSA-N 392.402 3.987 0 40 GHAB COc1ccc(OCCCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 7504857 KKJUAWUIWPDLHA-UHFFFAOYSA-N 382.504 3.820 0 40 GHAB O=C(NC[C@H]1CCCO1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604393 JWORVNHBMFGLGC-QGZVFWFLSA-N 382.847 3.738 0 40 GHAB Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 7734903 FHESLHLPWRAUFQ-UHFFFAOYSA-N 395.242 3.842 0 40 GHAB CC(C)CSc1nnc(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)s1 8393458 CEZGCHBFHDHGRN-JTQLQIEISA-N 396.563 3.504 0 40 GHAB O=C(COC(=O)CCCC(=O)Nc1ccccc1Cl)Nc1ccc(F)cc1 8433525 UYAQZBVBIPQCAI-UHFFFAOYSA-N 392.814 3.770 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)OCc1csc(-c2ccccc2)n1 24238131 OMDXCQKKPGNCDA-UHFFFAOYSA-N 393.472 3.541 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 20485751 YPMXVPADDAYKLJ-HDFUYHJRSA-N 394.515 3.710 0 40 GHAB Cc1nn(CN2CCN(C)C[C@H]2c2ccccc2)c(=S)n1Cc1ccccc1 106082635 VBTJRHDCIVYWIK-NRFANRHFSA-N 393.560 3.717 0 40 GHAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)ccc1-n1cncn1 12564830 QRMULEVEFXBIIX-UHFFFAOYSA-N 395.772 3.990 0 40 GHAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccccc3N3CCCC3)CC2=O)cc1 12528607 CLGGQWFFJUDXKI-LJQANCHMSA-N 377.488 3.582 0 40 GHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)Cc2cccc(F)c2)CC1 12551767 YUOHJOUMGVOHHR-UHFFFAOYSA-N 395.400 3.778 0 40 GHAB Cc1ccc(C(=O)NCCNC(=O)c2ccc3c4c(cccc24)CC3)cc1F 22976361 CGNDUMSAFCSKSP-UHFFFAOYSA-N 376.431 3.546 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(C(F)(F)F)nc1 26252351 UPRRGSDXAOBVFR-LBPRGKRZSA-N 375.354 3.514 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC(N2CCCCC2)CC1 26439350 SGQCAASQPMVUBZ-HNNXBMFYSA-N 379.932 3.626 0 40 GHAB Cn1/c(=N\C(=O)c2ccc3c(c2)OCCO3)sc2c3ccccc3ccc21 100629619 NPNIACKAJADGSV-QURGRASLSA-N 376.437 3.905 0 40 GHAB Cc1cc2nc3c(c(O)n2n1)C[C@H]1CC[C@H](C3)N1Cc1ccc(OC(C)C)cc1 100219515 XACLLCBHLYTWQT-QZTJIDSGSA-N 392.503 3.662 0 40 GHAB CC(=O)Nc1cccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)c1 35684658 USULGYOPSFFCPN-GOSISDBHSA-N 389.415 3.680 0 40 GHAB O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](c1ccc(F)cc1)C1CCCC1 44685020 DCIVQCSHVCXDOD-NRFANRHFSA-N 379.435 3.652 0 40 GHAB Cc1ccc(CNC(=O)COC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 10045158 VBQBWMCYTRQKSW-UHFFFAOYSA-N 392.455 3.751 0 40 GHAB COc1ccccc1OCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 27581557 JOAOSPIUQBZSRM-HXUWFJFHSA-N 382.504 3.726 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccccc1F 105093397 JMKSCCMGUMTWNO-MRXNPFEDSA-N 376.840 3.582 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3ccc(C(=O)N(C)C)nc3C)n2)cc1 103730030 KNZNRMZEPIROAF-UHFFFAOYSA-N 380.473 3.776 0 40 GHAB COc1ccc(-c2nn3c(O)cc(CCc4c(C)noc4C)nc3c2C)cc1 100776350 UPEGJPSQPNDEJJ-UHFFFAOYSA-N 378.432 3.809 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1F 103715701 NDXSGWCXBKFIGK-GFCCVEGCSA-N 391.240 3.888 0 40 GHAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C)c1 12605470 NINKGMTUTKZKJZ-OAHLLOKOSA-N 388.489 3.511 0 40 GHAB COc1ccc(COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1F 12620940 QMBVAQDDODMEIE-GOSISDBHSA-N 397.402 3.512 0 40 GHAB O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N(Cc1cccnc1)C1CC1 28517456 BOKNEPHOJBDJPS-KRWDZBQOSA-N 387.892 3.729 0 40 GHAB Cc1n[nH]c(=O)c2c(NC(=O)CN(C)Cc3ccc(C(C)(C)C)cc3)oc(C)c12 11290978 CPSCOQAITFSYSM-UHFFFAOYSA-N 396.491 3.501 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)CSc1nncn1-c1ccccc1 11427890 RRTNMGCWYFBVFM-UHFFFAOYSA-N 390.871 3.811 0 40 GHAB Cc1ccc(Cc2nn3c(SCc4ccccc4C)nnc3nc2O)cc1 27300519 RWVPWKFAKZCVTI-UHFFFAOYSA-N 377.473 3.725 0 40 GHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCCc3ccccc32)c1 20046938 CJNFKMVOINILRT-QGZVFWFLSA-N 378.881 3.519 0 40 GHAB CCCN(Cc1ccccc1)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 12953536 QBZIOZWTMHEPBI-UHFFFAOYSA-N 395.528 3.845 0 40 GHAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)CCc2c[nH]c3ccccc23)c1 49122763 WIWIUCNXXFWMTA-INIZCTEOSA-N 377.488 3.945 0 40 GHAB CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(F)cc3)N2C1=S 4024217 MQPJOMOPKZBFFW-PKOBYXMFSA-N 379.460 3.770 0 40 GHAB biogenic COc1cccc(N2C(=O)C[C@@H](c3ccccc3OC)c3sc(=O)n(C)c32)c1 49547163 XGCIVZBGYISUTJ-INIZCTEOSA-N 396.468 3.664 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cccc(C(F)(F)F)c1 71279728 GCROFMAGCOSSDL-CYBMUJFWSA-N 381.354 3.897 0 40 GHAB Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccnc2)n1 5243464 JKHITQHSBFASAG-LJQANCHMSA-N 387.370 3.780 0 40 GHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 9156060 VFYAINHULRBWTG-LJQANCHMSA-N 380.444 3.784 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)NC[C@H]3COc4ccccc4O3)ccc2c1 14182012 RYWIYOKOKLLRGH-YWZLYKJASA-N 377.440 3.908 0 40 GHAB CN(C)c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1 4597387 RGDKGWDHSCWHIQ-UHFFFAOYSA-N 387.443 3.977 0 40 GHAB COc1cc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)cc(OC)c1OC 4543370 MMCDFPMXVFGHBA-YPMLDQLKSA-N 388.489 3.753 0 40 GHAB Cc1ccc2oc(C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)cc(=O)c2c1 14242441 MAGKERAMMGVHKH-UHFFFAOYSA-N 399.830 3.846 0 40 GHAB CC[C@@H](C)N1C(=O)S/C(=C\c2cc(Br)cc(OC)c2O)C1=O 5550193 RYTYLTZFLKPWFA-VNUQYUTRSA-N 386.267 3.998 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(F)cc2)c1 9237673 LWNYAJZTPZZSKO-MSOLQXFVSA-N 397.479 3.740 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 6649533 IVMKLXRCKHGPII-INIZCTEOSA-N 380.366 3.978 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3)[C@H]2C(C)C)cc1 4778658 BOZCKUQFPXFNBS-HXUWFJFHSA-N 386.517 3.514 0 40 GHAB COc1ccc(S(=O)(=O)Oc2ccc(C)cc2C(C)=O)cc1Br 22454303 FPBBBZBNAHFOKY-UHFFFAOYSA-N 399.262 3.736 0 40 GHAB O=c1c2nccnc2nc(SCc2cccc(F)c2)n1CCc1ccccc1 6818566 TVNGZQIVTWJMFG-UHFFFAOYSA-N 392.459 3.861 0 40 GHAB Cc1ccc(C(=O)COC(=O)c2ccc(CNC(=O)NC(C)C)cc2)c(C)c1 6850154 APLHONPJDXLEBS-UHFFFAOYSA-N 382.460 3.551 0 40 GHAB CCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 19943158 DOCHEMRAJCCESY-BETUJISGSA-N 390.343 3.905 0 40 GHAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)Nc3cccc(Cl)c3)cnc12 7255985 JQYMUOAZPCFJGN-UHFFFAOYSA-N 398.875 3.915 0 40 GHAB CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)c1cccnc1 68303989 LGKMKIKQNYOQRW-UHFFFAOYSA-N 395.532 3.973 0 40 GHAB Cc1ccccc1[C@H](CC(=O)N(C1CC1)[C@@H]1CCc2ccccc21)NC(N)=O 68379331 MCZVTBLTTYLXIQ-LEWJYISDSA-N 377.488 3.773 0 40 GHAB COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1C1CC1 7799253 WXBQSRZUVYNHAX-CYBMUJFWSA-N 395.488 3.803 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)c1 8058898 QYNKAZUUTALCLB-MRXNPFEDSA-N 381.881 3.883 0 40 GHAB Cc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 8132993 WHWUFVBPQKRUQD-OAHLLOKOSA-N 388.272 3.796 0 40 GHAB COc1cccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1 8247820 AMRZWOLMGXNASA-LLVKDONJSA-N 379.243 3.994 0 40 GHAB CC[C@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccccc1 20036223 YQXDXCOBQGXSNE-FQEVSTJZSA-N 388.533 3.844 0 40 GHAB CCn1c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nnc1-c1ccc(OC)cc1 17836855 TYPYVVJZVAZFJU-GASCZTMLSA-N 388.537 3.570 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1 409334517 SKXMOPKWVVLBPQ-WOJGMQOQSA-N 396.468 3.987 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1ccc2c(c1)OCO2 8719717 XBSNFNSBSGAMFN-UHFFFAOYSA-N 378.306 3.527 0 40 GHAB COc1ccccc1CNC(=O)c1cn[nH]c1-c1cccc(Br)c1 72329044 ORBCPBUUNGQQDI-UHFFFAOYSA-N 386.249 3.778 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2N1Cc1ccc(F)cc1 306135887 PDUYEIZEDZKVJX-YADHBBJMSA-N 393.437 3.848 0 40 GHAB Cc1nc(C(=O)N2CCCN2C(=O)OC(C)(C)C)nn1-c1ccccc1C(C)C 95448334 GZRZSOQVPDUIIQ-UHFFFAOYSA-N 399.495 3.697 0 40 GHAB CC(C)(C)SCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 66739690 DOZUQIFYDSOWCG-UHFFFAOYSA-N 392.546 3.749 0 40 GHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 409119656 SNPDKTMHYZFLDW-JDAJCMJVSA-N 399.424 3.747 0 40 GHAB CCc1nc(C2CCN(C(=O)C3(c4cc(F)cc(F)c4)CCCC3)CC2)n[nH]1 529158170 QLYWEYBIRPWKTN-UHFFFAOYSA-N 388.462 3.863 0 40 GHAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Cc1nnc(O)c2ccccc12 535926951 BLLKTXQJOJXJKJ-ZDUSSCGKSA-N 384.505 3.986 0 40 GHAB Cc1cc(C)cc(-n2[nH]c(=NC(=O)c3cc(C)nc4onc(C)c34)cc2C)c1 537446331 KYUSDAZNVPNRTL-UHFFFAOYSA-N 375.432 3.625 0 40 GHAB CC(C)CC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(N)=O)C1 72391086 LILOWVRLGBZYOZ-HSZRJFAPSA-N 382.479 3.785 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc1 33088899 NNQOPINLKFPFEJ-CYBMUJFWSA-N 376.412 3.548 0 40 GHAB Cc1ccsc1S(=O)(=O)N1CCC([C@H](CC(=O)O)c2ccccc2)CC1 560481083 TVVBWNUIMBIVDA-QGZVFWFLSA-N 393.530 3.716 0 40 GHAB COc1cccc2ccn(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c12 32092075 QPPWPYGFPISTQY-UHFFFAOYSA-N 383.879 3.652 0 40 GHAB Cc1ccccc1-c1nnc(-c2cc3c(N4CCOCC4)ncnc3s2)o1 216602237 MDOMSHWFDFDFMS-UHFFFAOYSA-N 379.445 3.553 0 40 GHAB CCc1cc(C(=O)N2CCC[C@@H](c3nccnc3Oc3cccnc3C)C2)on1 72384333 WNCKZIBXJLNQAC-OAHLLOKOSA-N 393.447 3.543 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)c1ccccc1 217429168 QJYZNUCMVCFUMF-ZIAGYGMSSA-N 376.478 3.635 0 40 GHAB CN(Cc1nc(C(=O)O)cs1)CC1(c2ccc(Br)cc2)CC1 568068492 KLORXMXRSCMDHP-UHFFFAOYSA-N 381.295 3.767 0 40 GHAB Cc1cc(N(C)C)ccc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1 40111652 MJTOQTFGPPERQC-UHFFFAOYSA-N 393.443 3.924 0 40 GHAB COC(=O)[C@H]1CC(=O)N(c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)C1 45887184 NEMDLHCGPMHTPC-ZDUSSCGKSA-N 384.819 3.983 0 40 GHAB Cn1c(=O)n(C)c2cc(NC(=O)CSc3ccc4ccccc4c3)ccc21 47080896 DCCVFPYCZMNSFO-UHFFFAOYSA-N 377.469 3.761 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 136533837 CJHMJELPAQJARP-IRXDYDNUSA-N 378.428 3.627 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1 223147861 SHZOQYWUQJPTHB-IBGZPJMESA-N 388.895 3.581 0 40 GHAB O=C(CC1(C(=O)O)Cc2ccccc2C1)Nc1ccc(C(=O)C2CCC2)cc1 573657865 DCLXHYUSTABOMB-UHFFFAOYSA-N 377.440 3.868 0 40 GHAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NCc2ccc(F)cc2)n1 225949079 VRSMTDZZNFIZDG-KBPBESRZSA-N 387.528 3.893 0 40 GHAB CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(CC3CC3)C[C@H]21 514290363 YQNOLMXJBITYHX-CTNGQTDRSA-N 384.426 3.559 0 40 GHAB biogenic,in-vitro CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 222440548 FRUYNBGSMRWNFG-GOSISDBHSA-N 396.531 3.835 0 40 GHAB Cn1cc(Cl)c(C(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)n1 585123980 XDGUDGIOIPFQRL-UHFFFAOYSA-N 387.789 3.824 0 40 GHAB Cc1ccc(Cc2cc(C)nc([C@@H]3CN(Cc4cnn(C)c4)CCO3)c2)cc1 257201799 AJBZCCMGGRJIJC-QHCPKHFHSA-N 376.504 3.596 0 40 GHAB CO[C@H]1CCCN(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 378628545 YBKFUDAVVBLHAA-FQEVSTJZSA-N 399.466 3.789 0 40 GHAB CC[C@@H](CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)C(=O)O 1609919561 NMIFCSNROCIWOO-AWEZNQCLSA-N 379.412 3.609 0 40 GHAB Cc1ccoc1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 55790367 OCMBIZKEOKYWFH-UHFFFAOYSA-N 378.266 3.829 0 40 GHAB COc1ccccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 55650912 LEFRKKDEPHCJPT-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cccc(N3CCOC3=O)c2)C1 95412773 OAGILNGQDNXOME-HNNXBMFYSA-N 375.469 3.702 0 40 GHAB C[C@H](CNC(=O)C1CCN(c2nc3ccccc3n2C)CC1)c1ccccc1 12116355 AFQPWKVSGWUZPF-QGZVFWFLSA-N 376.504 3.710 0 40 GHAB O=C(CCc1ccccc1)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 12129464 BAMDUGJPENGAEE-SFHVURJKSA-N 393.512 3.768 0 40 GHAB Cc1ccccc1-c1noc([C@H](C)NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n1 12201136 VADSETSVKSMJKB-SJCJKPOMSA-N 383.835 3.879 0 40 GHAB O=C(c1ccccc1F)N1CCCc2cc([C@H](O)CN3CCCCC3)ccc21 12291304 UQWPJYVPOSYWJO-JOCHJYFZSA-N 382.479 3.938 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)CNC(=O)c2ccc(F)cc2)cc1 12802805 RUPKJUDNDHWQEF-HXUWFJFHSA-N 384.451 3.708 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 15339337 ZDERCZHDSSRETC-UHFFFAOYSA-N 382.891 3.777 0 40 GHAB Cc1nc(NC(=O)Nc2cccc(C(F)(F)F)c2)nc(O)c1Br 16249502 ISDKQNRRQQVWNY-UHFFFAOYSA-N 391.147 3.916 0 40 GHAB Cc1cccc(CC(=O)N[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c1 19234836 DTCORNLDDNQHOM-FQEVSTJZSA-N 395.890 3.683 0 40 GHAB CCCn1c(C)cc2cc(NC(=O)CCCn3c(C)cc(C)nc3=O)ccc21 19525971 JECWWBHHFXGZEF-UHFFFAOYSA-N 380.492 3.952 0 40 GHAB COc1ccc(C)cc1CC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C 19133091 IJAJEAGWRBWQQD-PQNGQFLHSA-N 396.506 3.774 0 40 GHAB CCN(C(=O)COC(=O)c1c(C)nn(-c2ccccc2)c1C)C1CCCCC1 6213516 XPDUXCXHQVWBHI-UHFFFAOYSA-N 383.492 3.827 0 40 GHAB CN(c1ccccn1)C1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 1888959785 RKNLNAFOBNRRSN-UHFFFAOYSA-N 392.425 3.640 0 40 GHAB COCCn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nc2ccccc21 14360116 YKZPQTSNPWHSSG-UHFFFAOYSA-N 395.406 3.831 0 40 GHAB Cc1ccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)C(C)C)cc1 4035985 OPTVQUMXYNUTTQ-FQEVSTJZSA-N 399.516 3.700 0 40 GHAB CSc1nnc(CNC(=O)c2ccccc2)n1-c1cccc(C(F)(F)F)c1 4059320 VZPDODRHIGRYJY-UHFFFAOYSA-N 392.406 3.938 0 40 GHAB O=c1nc(SCc2c(F)cccc2Cl)c2c(n1CCCO)CCCC2 9852673 KFNQXSKIVAJZPH-UHFFFAOYSA-N 382.888 3.589 0 40 GHAB CCc1ccc(NC(=O)NCCCn2nc(-c3ccc(C)cc3)ccc2=O)cc1 13801320 UWXAXDDSORJADK-UHFFFAOYSA-N 390.487 3.993 0 40 GHAB COc1cccc2cc(C(=O)N3CCS[C@@H](c4ccco4)CC3)c(=O)oc12 219401113 PEJLNVWXMPBFPK-QGZVFWFLSA-N 385.441 3.715 0 40 GHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(-c2cn3c(n2)SCC3)c1 48984981 HAMGGEPASSJAOO-YJYMSZOUSA-N 393.468 3.823 0 40 GHAB COc1c(F)c(F)cc(C(=O)NCc2nccnc2-c2ccsc2)c1F 575620309 SKXWOPNFDYDPLO-UHFFFAOYSA-N 379.363 3.561 0 40 GHAB Cc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)cc1 9708955 TUJVORUKDLRLJH-UHFFFAOYSA-N 380.427 3.643 0 40 GHAB Cc1noc(C2CCN(C(=O)NCc3cccc(COC(C)(C)C)c3)CC2)n1 102070721 QTQHRIBDTGQGAH-UHFFFAOYSA-N 386.496 3.782 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N3CCC[C@@H]3c3ccncc3)o2)cc1 32754731 AYXXVVIPDCIYDD-QGZVFWFLSA-N 396.472 3.596 0 40 GHAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NCc1ccccc1 905055 GMZXPOBDIWJXTI-UHFFFAOYSA-N 395.532 3.627 0 40 GHAB CCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1-c1ccco1 905387 KBDRFELGGOMQKP-UHFFFAOYSA-N 389.506 3.624 0 40 GHAB COc1cc(OC)cc(-c2nnc(SCC(=O)OC3CCCCC3)o2)c1 929485 WKCPGMSMSKOXBV-UHFFFAOYSA-N 378.450 3.722 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)c(C)c1 976218 FXYGUSNLJUAEPP-UHFFFAOYSA-N 393.472 3.815 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCc4ccccn4)c(C)c3cc12 79188974 KQRONUDJSZCGEX-UHFFFAOYSA-N 390.439 3.761 0 40 GHAB biogenic O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1SCc1cccc(F)c1 2711417 ILDLYTJWWCXHGK-UHFFFAOYSA-N 384.885 3.773 0 40 GHAB Fc1cccc(Cl)c1Cn1ccc(Nc2nnc(Cn3cccn3)s2)n1 2809305 GCNXBQXHDHYLEY-UHFFFAOYSA-N 389.847 3.564 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@H]1CCSc2c(F)cccc21 83859357 XKKCIOPBGXAORZ-CJNGLKHVSA-N 388.464 3.844 0 40 GHAB CC[C@H](C)NC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1CC(C)C 4779343 VSLDSNWTNJYEHY-LBPRGKRZSA-N 381.929 3.713 0 40 GHAB COCCCn1c(SCC(=O)c2cccc(OC)c2)nnc1-c1ccco1 4861158 WYCODHKNWGAIFK-UHFFFAOYSA-N 387.461 3.558 0 40 GHAB Cc1ccc(Cn2ccc(NC(=O)COCc3cc(-c4ccco4)on3)n2)cc1 6876675 RKKCADGMKGLKIF-UHFFFAOYSA-N 392.415 3.643 0 40 GHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(Br)cc1 6954661 JENUKZHROQNAMW-UHFFFAOYSA-N 395.278 3.593 0 40 GHAB O=C(CN1CCN(Cc2ccccc2)CC1)NCC12CC3C[C@@H](CC[C@H](C3)C1)C2 101024376 OAZKNEAPRCAKJX-ZHKZDJPUSA-N 395.591 3.527 0 40 GHAB C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C(C)(C)C)cc1 10239735 XSHGTSIVVWHJMP-CQSZACIVSA-N 383.444 3.939 0 40 GHAB COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1OC 803121 SMSJEYKCKFKCJJ-GJZGRUSLSA-N 385.855 3.677 0 40 GHAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 23039716 WFEWJRNFBOEZJE-MSOLQXFVSA-N 379.504 3.603 0 40 GHAB O=C(O)c1cc2c(cc1NC(=O)c1ccccc1C(F)(F)F)OCCCO2 8191106 PJGPJKAOCJQKEQ-UHFFFAOYSA-N 381.306 3.817 0 40 GHAB CCOc1ccccc1N1CCN(C(=O)NCCc2ccc(Cl)cc2)CC1 8394917 COPUXFFVNVFMRT-UHFFFAOYSA-N 387.911 3.813 0 40 GHAB O=C(Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1)c1ccc(F)cc1 8603640 JHSKFIVJDOBKIP-UHFFFAOYSA-N 395.415 3.726 0 40 GHAB CCN1CCC[C@H]1CNC(=S)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 104650664 OWEWYUVKUZQWHC-GHTZIAJQSA-N 393.560 3.601 0 40 GHAB CC(C)c1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 958810 ZTGSZFDDMCXFGB-CYBMUJFWSA-N 396.516 3.740 0 40 GHAB CCc1ccc(-c2noc(CN3CCc4cc(OC)c(OC)cc4C3)n2)cc1 25105791 QQPBYQJMHGUOBJ-UHFFFAOYSA-N 379.460 3.875 0 40 GHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 59488516 POAWPGSVGWIXIK-CYBMUJFWSA-N 392.238 3.772 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(NC(N)=O)cc2)cc1NC(=O)c1ccco1 25882310 WVZSOZZIUFHRJW-UHFFFAOYSA-N 378.388 3.583 0 40 GHAB CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1C 22328102 GRSGJWMRBFPDLR-HXUWFJFHSA-N 388.533 3.645 0 40 GHAB CN(Cc1ccccc1)Cc1c(O)occ(CN2CCc3ccccc3C2)c1=O 101410523 AENXYOISDNSNGS-UHFFFAOYSA-N 390.483 3.536 0 40 GHAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCN(Cc2cccs2)CC1 27999488 AOBGBJOGTWJHMZ-UHFFFAOYSA-N 387.530 3.660 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)n2nc(-c3cccs3)c3ccccc3c2=O)no1 12769267 HMZFACFEIFSROK-GFCCVEGCSA-N 380.429 3.621 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 36394776 COYMRZYPHRULTK-MAUKXSAKSA-N 398.507 3.668 0 40 GHAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(-n2cncn2)c(F)c1 12741419 UHRKCTCNPPNCJL-NTUHNPAUSA-N 393.809 3.714 0 40 GHAB COc1cccc(C(=O)NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1 10811207 UFEJVBQOBUPTKG-UHFFFAOYSA-N 398.846 3.655 0 40 GHAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(Cl)c4)CC3)n2)cc1 12759425 HTFMOUBVQZAWMC-UHFFFAOYSA-N 396.878 3.656 0 40 GHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11255719 RERMJCYTWDUTJZ-CWTRNNRKSA-N 386.835 3.634 0 40 GHAB COc1ccccc1/C=C\C=c1/sc2nc(/C=C/c3cccs3)nn2c1=O 27022128 FAIXZIHEIMLDDB-VEYWJUQXSA-N 393.493 3.604 0 40 GHAB O=C(COc1nncc2ccccc12)Nc1ccc(Br)cc1F 3334865 YWXUPSKTHIDAIU-UHFFFAOYSA-N 376.185 3.549 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)o2)cc1 3322379 HBYSONFLFZUJJY-SNVBAGLBSA-N 388.474 3.876 0 40 GHAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)O[C@H](C)C(=O)NC(C)(C)C 46276637 QEJSSSIDSAZLEO-GFCCVEGCSA-N 378.469 3.641 0 40 GHAB Cc1nc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)sc1C 8719601 UPYLQMGKMPBUBL-UHFFFAOYSA-N 393.925 3.940 0 40 GHAB CCN1CCc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2C1 22698993 GPWJTTKLKMXIQJ-UHFFFAOYSA-N 386.304 3.845 0 40 GHAB Cc1ccc(CCC2CCN([C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 12995063 KSPYSQJLGDDTQZ-SFHVURJKSA-N 393.531 3.766 0 40 GHAB CC(C)[C@@H]1C[C@](CC(=O)NCCN(C)C)(Cc2ccccc2Cl)CCO1 9530756 STCBWTICJFUEFQ-PZJWPPBQSA-N 380.960 3.772 0 40 GHAB Cc1[nH]c2ccc(CNC(=O)c3nn(-c4ccccc4)c(C)cc3=O)cc2c1C 64901847 OGURSZGGAFBIIZ-UHFFFAOYSA-N 386.455 3.569 0 40 GHAB Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)cc1 4337775 SPUMEKOUUAFEEB-IBGZPJMESA-N 396.874 3.862 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2Cl)c1 5311673 FBHFEOJILWYONM-UHFFFAOYSA-N 396.896 3.631 0 40 GHAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 5396762 TYCWHWTZIXXZKM-UHFFFAOYSA-N 393.443 3.631 0 40 GHAB Cc1ccc(C(=O)Oc2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4592898 MAPJGBSSDCJHBD-JSJNYSNDSA-N 375.424 3.750 0 40 GHAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1Cc1ccc(Cl)cc1 4852221 DQSGTEMANURYIK-UHFFFAOYSA-N 395.772 3.833 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccccc2Cl)c2ccc(C)cc21 4987947 GZAPFUMEUWDXFO-NRFANRHFSA-N 387.863 3.631 0 40 GHAB COc1ccc(C(=O)Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 15538962 WTGZGANDGNMERH-UHFFFAOYSA-N 391.452 3.826 0 40 GHAB CCn1nc(NS(=O)(=O)c2ccc(F)cc2)c2cc3cc(C)ccc3nc21 9317146 YINQHIBFHOQIFT-UHFFFAOYSA-N 384.436 3.853 0 40 GHAB Cn1nc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc2c1=O 8071850 SAZCDKUQFCZYIP-MRXNPFEDSA-N 390.468 3.521 0 40 GHAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857100 BDKBLNIAJRXULL-INIZCTEOSA-N 392.908 3.521 0 40 GHAB Cc1cc(C)cc(Nc2nc(NC[C@@H](C)O)nc3c2cnn3-c2ccccc2)c1 17010849 GPYOBZHXHGGWBE-MRXNPFEDSA-N 388.475 3.969 0 40 GHAB CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccc(C)c1 17077826 VYFABVNAYVFFBH-UHFFFAOYSA-N 380.517 3.724 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1NC(=O)CC 408697655 KNNPEXFIKTWJMT-UHFFFAOYSA-N 392.477 3.552 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1OCC 408585941 LGVJOPOLSVNKPP-UHFFFAOYSA-N 378.450 3.763 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2C)cc1C 408547467 JTLXYZDXRQWVST-UHFFFAOYSA-N 398.484 3.936 0 40 GHAB C[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 32929717 DGTRDIJDHMVXKE-ZDUSSCGKSA-N 385.407 3.672 0 40 GHAB Cn1cnc2c(C(=O)N3CCc4ccccc4[C@H]3Cc3ccccc3)ccnc21 503231099 LMAZLTHJGXVMEM-OAQYLSRUSA-N 382.467 3.951 0 40 GHAB COc1ccc([C@@H](C)NC(=O)N2CCN(c3cccs3)CC2)c(C)c1OC 513401160 FJGNQSVQWADDMB-OAHLLOKOSA-N 389.521 3.667 0 40 GHAB O=C(Nc1cccc(Br)c1)C1CCN(C(=O)c2ccccc2)CC1 36171681 DAKNVVROMKIKEU-UHFFFAOYSA-N 387.277 3.940 0 40 GHAB COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C)nn(CC(=O)O)c3n2)c1 36616066 RQXJNJJFOJVNHT-UHFFFAOYSA-N 395.337 3.527 0 40 GHAB CCc1ccccc1NC(=S)N1CCC(NC(=O)c2cccc(OC)c2)CC1 35311159 FXDBIXHYXHTPDQ-UHFFFAOYSA-N 397.544 3.849 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2cccc(C)c2C)cc1OCC 72330949 AMLMCPOHZXGFHA-UHFFFAOYSA-N 385.460 3.825 0 40 GHAB Cc1ccn(C[C@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)n1 36614098 LSFFJYMFNYMZJN-ZDUSSCGKSA-N 393.422 3.661 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70638139 HZUNKDBLFAPVND-KRWDZBQOSA-N 390.491 3.641 0 40 GHAB Cc1cc(Nc2cc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)nc(C)n2)[nH]n1 72360837 BOIPAUXHJBTTNN-MRXNPFEDSA-N 394.454 3.719 0 40 GHAB COc1cccc(N([C@@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1 220157229 JMZKYWLUTHBTEG-HNNXBMFYSA-N 398.484 3.642 0 40 GHAB CCc1cc(S(=O)(=O)NCCOc2ccc3ccccc3c2)ccc1OC 223640935 TXKJSIGMQPWNHC-UHFFFAOYSA-N 385.485 3.768 0 40 GHAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccccc1OC 224574710 LJWXRNQVVWRDHB-GOSISDBHSA-N 385.460 3.582 0 40 GHAB Cc1cc(C)nc(Nc2nc(CC(=O)NCc3ccccc3Cl)cs2)n1 49029467 DDACKZRSJCKVCH-UHFFFAOYSA-N 387.896 3.806 0 40 GHAB CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccc(OC)c(C)c2)c1 224658318 KHHPJJRKVGOXSJ-UHFFFAOYSA-N 391.489 3.704 0 40 GHAB COC(=O)c1cc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)ccc1Cl 225729433 PYXSAZQSIVXRMX-OKILXGFUSA-N 397.972 3.781 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 225699465 JUMGVZBMWJKQDF-UHFFFAOYSA-N 375.475 3.713 0 40 GHAB CCc1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1OC 223684313 WOVJZEHQFRBQQJ-UHFFFAOYSA-N 388.258 3.960 0 40 GHAB CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(Cc1ccc(F)cc1)CC2 96260505 SUVABYUDTWIGKG-UHFFFAOYSA-N 398.526 3.591 0 40 GHAB O=C1CS[C@@H](c2ccccc2F)c2c(O)nn(C3CCSCC3)c2N1 96118053 PYYDEBYWMUZSPT-HNNXBMFYSA-N 379.482 3.571 0 40 GHAB COc1cccc(CC(=O)N[C@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)c1 96296977 RXKUGACYJYSDFO-GFCCVEGCSA-N 398.390 3.607 0 40 GHAB biogenic,in-vitro CSCC[C@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1nc2ccccc2[nH]1 96223493 MPMHNTMBSCWBRR-SFHVURJKSA-N 392.484 3.629 0 40 GHAB CC(C)c1ccc(CN2CC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)cc1 96226039 YFFWGXVPGKAIFG-JOCHJYFZSA-N 378.476 3.565 0 40 GHAB Cc1cnc(C(=O)N2[C@H]3CCCCCN[C@@]3(C)C[C@H]2Cc2ccccc2)cn1 257315735 VCOAWCMXORCLDE-NWSQWKLXSA-N 378.520 3.533 0 40 GHAB Cc1noc(C)c1COc1ccc(CN(C)C[C@H]2CCn3ccnc3C2)cc1 585084600 LQYCPNDYGIWUOF-IBGZPJMESA-N 380.492 3.761 0 40 GHAB CCOc1cc(C(=O)Nc2cccc(CO)c2)cc(Br)c1OC 24767346 YEDSERHLKJZWGT-UHFFFAOYSA-N 380.238 3.601 0 40 GHAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cccnc2NC)C1 257245099 IOBMWTIKOJVVCP-CQSZACIVSA-N 380.517 3.687 0 40 GHAB CCOC(=O)C(F)(F)[C@@H](NC(=O)c1nccc2ccsc12)c1ccccc1 1129122471 BDWDZWUFBDVZIS-INIZCTEOSA-N 390.411 3.966 0 40 GHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C[C@@]23CCCC[C@H]2C3(F)F)c1 665827285 ZKRGABPRSSLVQW-XLIONFOSSA-N 391.462 3.930 0 40 GHAB Cc1ccc(CN2CC[C@H](NC(=O)NCCc3ccc(Cl)s3)C2)cc1 1222990842 RWWATZLEEMRZPH-INIZCTEOSA-N 377.941 3.826 0 40 GHAB Cc1c(Br)csc1C(=O)NCc1ccc(CCN(C)C)cc1 1615611252 ZMBHWIDFDKZANN-UHFFFAOYSA-N 381.339 3.853 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1775995693 FCZRPSUUCXJZMQ-GFCCVEGCSA-N 385.411 3.797 0 40 GHAB CC(=O)c1sc(NC(=O)c2ccc(C(=O)N(C)C)cc2)nc1-c1ccccc1 95947214 GWHCEXWNVJSMCO-UHFFFAOYSA-N 393.468 3.967 0 40 GHAB COc1ccc2o/c(=N\c3sc4c(c3C#N)CCCC4)c(C(N)=O)cc2c1 1515965 AXVLHKTXUSSQLH-NMWGTECJSA-N 379.441 3.585 0 40 GHAB CC1(C)C[C@@]2(CCCN2C(=O)c2cnn3cccnc23)CN1c1cccc(F)c1 1615152629 BNEYDFVMXANDKV-QFIPXVFZSA-N 393.466 3.532 0 40 GHAB COc1cccc(NC(=O)COC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c1 5540918 VBZSCRAUGHAWLC-UHFFFAOYSA-N 393.395 3.953 0 40 GHAB COCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2 5562591 ZFHJXKLQOWPJBQ-IRXDYDNUSA-N 397.866 3.663 0 40 GHAB Cc1noc(C)c1CCC(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1 12132374 ZKLHGFTTYSMWBJ-UHFFFAOYSA-N 397.500 3.955 0 40 GHAB O=C(NC1CCN(Cc2cccc(F)c2)CC1)[C@H]1Cc2cc(Cl)ccc2O1 12201727 YQBSTLBFNOHDKS-HXUWFJFHSA-N 388.870 3.563 0 40 GHAB CCc1[nH]c2ccc(C(=O)NC[C@@H](c3ccc4c(c3)OCO4)N(C)C)cc2c1C 12203714 HISSEDXBQZJDRK-FQEVSTJZSA-N 393.487 3.800 0 40 GHAB CCc1ccc2[nH]c3nc(SCC(=O)N4[C@@H](C)CCC[C@H]4C)nnc3c2c1 12492341 FRURKLJZUSWMOQ-BETUJISGSA-N 383.521 3.950 0 40 GHAB c1cncc(CNc2ncc(-c3ccnc(N4CCCC4)n3)c(-c3ccco3)n2)c1 12666793 OZVRCIBGFBETQS-UHFFFAOYSA-N 399.458 3.801 0 40 GHAB CC(C)C(NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(C)C 13680930 XJABJDLRXLGURL-UHFFFAOYSA-N 394.562 3.984 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(SC)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713499 BNVHTDNVMJEPIB-SFHVURJKSA-N 392.546 3.900 0 40 GHAB CCOc1ccc(CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC 14233881 OWWDPNQFBGERGB-UHFFFAOYSA-N 377.506 3.888 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccc3c(c2)OCO3)cc1C 19214246 AGWFSWIBPLKVTI-MRXNPFEDSA-N 393.443 3.683 0 40 GHAB Cc1ccccc1CN1CCN(c2c(F)cccc2[C@H](O)c2nccs2)CC1 19237235 PSSSXIWMAQTJKS-NRFANRHFSA-N 397.519 3.995 0 40 GHAB O=C(c1cccnc1)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 19337386 CYVJIFNXIYNAGA-UHFFFAOYSA-N 385.471 3.831 0 40 GHAB Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2cc(C(C)C)n[nH]2)c1C 19558197 RVHBFKRVAHAYCA-GOSISDBHSA-N 396.495 3.906 0 40 GHAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc21 19676975 CWYIBKHZSTTWMV-UHFFFAOYSA-N 399.299 3.958 0 40 GHAB COC(=O)c1c(C)nc2ccn(-c3ccncc3)c(=O)c2c1-c1ccc(C)cc1 19973856 LEDVXQUALOZEEE-UHFFFAOYSA-N 385.423 3.851 0 40 GHAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 6295979 KDEQRXFNYGRVSH-ZDLGFXPLSA-N 377.425 3.753 0 40 GHAB CCOc1cc(/C=C(\Sc2nnc(CC)[nH]2)C(=O)O)cc(Cl)c1OC 7342480 ZIMHULAUSMUKSS-WQLSENKSSA-N 383.857 3.646 0 40 GHAB CCCN=c1ccc2ncc(-c3ccc4c(cnn4[C@@H]4CCCCO4)c3)n2[nH]1 504131675 DEWAZFATOBSVFH-NRFANRHFSA-N 376.464 3.689 0 40 GHAB COc1ccc2cnc([C@@H]3CCCN(C(=O)c4c(Cl)cnn4C)C3)cc2c1C 12187967 ZRYGANOVILHKIV-OAHLLOKOSA-N 398.894 3.959 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)C(C)(C)C)cc2)on1 12159203 ISODYEVOUBOMDN-UHFFFAOYSA-N 393.491 3.835 0 40 GHAB Cc1cc(C)c2cc(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)[nH]c2c1 19663430 BHJJSBHZAHIEKG-UHFFFAOYSA-N 397.500 3.749 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(N2CCCC2=O)c1 8272575 QKZJPNZGOXIPTR-UHFFFAOYSA-N 388.471 3.927 0 40 GHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C(=O)Nc2ccccc2)CC1 1888959360 GMWOOBZHCJJEQY-UHFFFAOYSA-N 394.450 3.788 0 40 GHAB O=C(CCN1CCN(c2ccccc2)CC1)Nc1cccc(Br)c1 3097735 SRRFEVJPZKLVDJ-UHFFFAOYSA-N 388.309 3.600 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)NCc1cccs1 10326604 BUHIQYSBWDOGRB-UHFFFAOYSA-N 378.497 3.703 0 40 GHAB O=C(NCCC1=CCCCC1)C(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775976664 CWKMIFCJMRIYFU-IBGZPJMESA-N 398.528 3.571 0 40 GHAB O=S(=O)(c1cccc(F)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 35399249 PXYKSSKSUAJXDD-UHFFFAOYSA-N 397.475 3.722 0 40 GHAB Cc1nc(-c2nnn(-c3ccc(F)cc3)c2C)sc1C(=O)NCCC(C)C 38487596 SRXVJDYZXNKKCR-UHFFFAOYSA-N 387.484 3.923 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CN3C(=O)c4ccccc4C3=O)n2)c(C)c1 4077639 BUQAPMUXBXCKSK-UHFFFAOYSA-N 391.452 3.662 0 40 GHAB O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1c(F)cccc1Cl 27450703 KQBQHVJUXIYLFT-UHFFFAOYSA-N 376.815 3.733 0 40 GHAB Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)no1 40087105 KYPLRAKWWZUCGD-LBPRGKRZSA-N 382.247 3.781 0 40 GHAB C[C@H](C(=O)NCc1cccc(OCC(F)(F)F)c1)n1cnc2ccccc21 40111900 FJOYIKRFNPDSRU-CYBMUJFWSA-N 377.366 3.855 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 40105927 PRHAGOQBIBWZOS-JHJVBQTASA-N 392.348 3.801 0 40 GHAB COc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3cccc(Cl)c32)cc1 20745621 ABZZPPLNMXFIMH-HXUWFJFHSA-N 394.818 3.764 0 40 GHAB Fc1cc(F)cc(Cc2nn3c(Cc4cc(F)cc(F)c4)nnc3s2)c1 20744531 HXWSUWAUGFEEHS-UHFFFAOYSA-N 378.354 3.924 0 40 GHAB COc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 33088650 XZASBIZKXVBRRY-UHFFFAOYSA-N 394.452 3.753 0 40 GHAB CCCC(=O)OCC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC 1919152 IJFPHHKIZVGPJY-UHFFFAOYSA-N 375.446 3.874 0 40 GHAB O=C(CSc1ncnc2c1nnn2-c1cccc(Cl)c1)c1ccccc1 4273951 HUIYQGIDJKSDDJ-UHFFFAOYSA-N 381.848 3.839 0 40 GHAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(Cl)cc2)n1N 4287978 ZZHJMQVOHDMPLB-UHFFFAOYSA-N 388.880 3.816 0 40 GHAB O=C(COc1ccc(Cl)cc1/C=C1\SC(=O)NC1=O)Nc1ccccc1 4316855 ZVMAACYNAYELJS-DHDCSXOGSA-N 388.832 3.681 0 40 GHAB COc1cc(C(=O)OCC(=O)NC2CCC(C)CC2)ccc1OCC(C)C 4333535 MUKMYXMIZPEARY-UHFFFAOYSA-N 377.481 3.582 0 40 GHAB CCCCn1c(C(=O)OC)cc(=O)c2c(C)n(-c3ccccc3)c(=S)nc21 4575158 KYYQMKLODQAOLJ-UHFFFAOYSA-N 383.473 3.812 0 40 GHAB CCCCN(c1ccccc1)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 4850723 VEQAXCYKEWDQBX-UHFFFAOYSA-N 398.528 3.907 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1Cl 4904682 CXKAEDOIVOQPMV-CYBMUJFWSA-N 398.937 3.749 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccccc2OC)cc1 4928797 ROEKHKIHBSFQES-HXUWFJFHSA-N 391.427 3.653 0 40 GHAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 4944414 PXWAUWNBWYISDT-LLVKDONJSA-N 383.395 3.765 0 40 GHAB COc1ccc2c(c1)CCc1cc(C(=O)OCC(=O)N[C@H](C)C(C)C)sc1-2 4949641 XWZREVOCPROMHY-CYBMUJFWSA-N 387.501 3.840 0 40 GHAB O=C(Nc1ccc2ccccc2c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 4983175 QBUUSXCGZLYECW-UHFFFAOYSA-N 394.496 3.879 0 40 GHAB Cc1nc2ccccc2n1CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 5450796 SHVJJUJHVTZKFA-UHFFFAOYSA-N 382.895 3.737 0 40 GHAB Cc1cc(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c(C)n1Cc1cccs1 5492058 CKCUIMYJVXRFLA-UHFFFAOYSA-N 395.463 3.890 0 40 GHAB O=C(COc1ccc(NC(=O)c2ccccc2Cl)cc1)NCC(F)(F)F 6559763 QXFFTWPEUCWRFC-UHFFFAOYSA-N 386.757 3.650 0 40 GHAB Cc1ccc(NC(=O)Cc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 6671363 YGZOCZIMCLQDDS-UHFFFAOYSA-N 379.441 3.631 0 40 GHAB Cc1occc1-c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)n1C 7114297 QITPVHFVLUSOII-KRWDZBQOSA-N 382.489 3.839 0 40 GHAB C[C@H](Sc1nnc(C2CC2)n1C)C(=O)N1CCC(Cc2ccccc2)CC1 7172591 GVDYTGCALPTFTF-HNNXBMFYSA-N 384.549 3.654 0 40 GHAB CCCCN1CC2=C(C1=O)[C@H](c1ccc(OCc3ccccc3)cc1)NC(=O)N2 7573165 IEWVZBYXEWWQNV-NRFANRHFSA-N 391.471 3.516 0 40 GHAB C[C@H](NC(=O)CN(C)CC(=O)Nc1cccc(F)c1)c1ccc2ccccc2c1 8038171 HQWWDZOMZUWXAP-INIZCTEOSA-N 393.462 3.727 0 40 GHAB O=S(=O)(c1cccs1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 8190393 RGSUAKBWCZFMIZ-UHFFFAOYSA-N 393.511 3.976 0 40 GHAB CC[C@H](Oc1ccccc1F)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 8477704 VYQFNJVDAVTMSS-MAIVGLDJSA-N 382.479 3.841 0 40 GHAB COc1cc(CSc2nnc3ccccn23)c(OC)cc1Br 8704804 PZCJXRVPWDMOQN-UHFFFAOYSA-N 380.267 3.801 0 40 GHAB COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc(OC)c1O 8769776 YLSJMJJVVSHFFZ-MRXNPFEDSA-N 393.443 3.686 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(O)cc1)N(Cc1cccnc1)C3=O 8846256 LPQJYXFKUIWIIL-OAQYLSRUSA-N 398.418 3.947 0 40 GHAB COCCN(C(=O)CSc1nncn1-c1ccccc1C)C1=CCCCC1 9112487 GEAXQDOBEUDNIS-UHFFFAOYSA-N 386.521 3.601 0 40 GHAB Cc1cccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)c1C 9237923 LHAUHUSHFHQVPK-ROUUACIJSA-N 379.489 3.601 0 40 GHAB CCOc1ccccc1CCCNC(=O)/C=C/c1ccc(OC)c(OC)c1OC 10110886 IYKIAWSBWVPDOO-FYWRMAATSA-N 399.487 3.873 0 40 GHAB CC(C)C(NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O)C(C)C 10361883 LZDOBPRTMJBPLE-UHFFFAOYSA-N 382.570 3.547 0 40 GHAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 10673407 AADWFAJNVFGZPC-UHFFFAOYSA-N 382.391 3.822 0 40 GHAB COc1ccc2cc(C(=O)N3CCN(c4ccccc4OC)CC3)c(C)nc2c1 10741913 STUYFFFPCKHUPG-UHFFFAOYSA-N 391.471 3.523 0 40 GHAB COc1cc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc(OC)c1OC 11052661 RLSDGNWSXRJQJV-ZDUSSCGKSA-N 399.443 3.728 0 40 GHAB CCCc1n[nH]c(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)n1 11468231 HTKIOAWVERCIOS-QGZVFWFLSA-N 390.509 3.956 0 40 GHAB CCC(=O)Nc1ccc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nn1 11738955 VOYJSOLKEIFOPD-UHFFFAOYSA-N 384.383 3.575 0 40 GHAB CCCO[C@@H]1CCCN(Cc2c(C)n(CC(=O)NC3CC3)c3ccccc23)C1 12241474 QZAKHXKXUVIXHR-LJQANCHMSA-N 383.536 3.619 0 40 GHAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(Cl)ccc1N1CCCCC1)CS2 12521479 ZFOWJXWDAZUSBD-APWZRJJASA-N 393.940 3.723 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)C12CC3CC(CC(C3)C1)C2 12900059 GJNIAFHTZGQXLZ-ZTBAGEHQSA-N 384.520 3.853 0 40 GHAB O=C(NC1CC1)c1ccc(NC(=O)c2cc(Br)ccc2F)cc1 12910761 DJHKBZZLPWRXGW-UHFFFAOYSA-N 377.213 3.733 0 40 GHAB Cc1c(NC(=O)CCSCc2ccccc2F)c(=O)n(-c2ccccc2)n1C 12919406 NRBQLAGPWFQPQJ-UHFFFAOYSA-N 399.491 3.886 0 40 GHAB CCCCc1ccc2nc(NC(=O)c3cnc4ccccn4c3=O)sc2c1 13010718 BGCQZAUJZMSEES-UHFFFAOYSA-N 378.457 3.899 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1C(=O)NC(C)C 13678967 XOFAYYCUTCVUEN-UHFFFAOYSA-N 396.896 3.596 0 40 GHAB O=C(CCn1ccc2cc(Br)ccc21)N=c1[nH]c2ccccc2[nH]1 13688705 NBMUWTVCEJLGSU-UHFFFAOYSA-N 383.249 3.731 0 40 GHAB O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCN(c2cnccn2)CC1 14022629 TZXJRUUZOQYKAP-OAQYLSRUSA-N 390.512 3.659 0 40 GHAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 14060968 KDJSXJQGFBAXIS-MRVPVSSYSA-N 386.304 3.858 0 40 GHAB CCCCCNC(=O)[C@@H](C)SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 14185846 HOEXOZBIMLTSEO-GFCCVEGCSA-N 393.578 3.792 0 40 GHAB Cc1ccc(C)c(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 14397585 KBXXLRCYOPDOMU-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl 14867639 JEZPWNGESBFZMB-UHFFFAOYSA-N 394.301 3.506 0 40 GHAB O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(Cc2cc3ccccc3o2)C1 15674943 SAVYRXQVPFUILJ-AEFFLSMTSA-N 379.391 3.930 0 40 GHAB biogenic,in-vitro C[C@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc2NC1=O 15859047 QAFKXIKHWRGNGT-NSHDSACASA-N 379.243 3.994 0 40 GHAB CCN(Cc1ccc(Cl)cc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 16558953 GWVNATZIDXTBOU-UHFFFAOYSA-N 387.867 3.616 0 40 GHAB O=C(NCCc1ccccc1F)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 18123446 RCMXCEWZIRCPBD-UHFFFAOYSA-N 395.400 3.815 0 40 GHAB Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 18833915 ZQAZIWGLJGXUAK-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H]2c2nnc(-c3nccc4ccccc34)o2)on1 19119876 LZZLSCCZOCGCLR-HNNXBMFYSA-N 375.388 3.559 0 40 GHAB Cc1ccc([C@@H]2CN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)C[C@H]2c2csnn2)cc1 19211953 MQBKVYMSVBLMOP-QGZVKYPTSA-N 398.576 3.534 0 40 GHAB Cc1nccn1C[C@H](C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 19287772 XKNYMGMEDWPZFP-SFHVURJKSA-N 384.524 3.577 0 40 GHAB NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccccc2F)C1 19348796 IAPXTUTVHIBBRP-DEOSSOPVSA-N 389.474 3.808 0 40 GHAB NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccccc2)C1 19368630 AODWYVZWWOBHHS-HSZRJFAPSA-N 390.508 3.975 0 40 GHAB CC(=O)N1CCC(c2ncc3c(n2)CCN(CC[C@@H](C)c2ccccc2)C3)CC1 19455728 AIHULRSYFJVMNQ-GOSISDBHSA-N 392.547 3.754 0 40 GHAB C[C@H]1Cc2cc(CCC(=O)NCc3noc(-c4ccc(Cl)cc4)n3)ccc2O1 19498138 JDLJSHUPVSKSIR-ZDUSSCGKSA-N 397.862 3.962 0 40 GHAB COc1cccc(CC(=O)N[C@H](C)Cn2c(C(F)(F)F)cc3cccnc32)c1 19575462 ORRIKFHJEZLULP-CYBMUJFWSA-N 391.393 3.811 0 40 GHAB O=C(NCc1ccccc1N1CCCC1)C1(c2ccccc2F)CCOCC1 19662222 CEVSUOZPJDLYRT-UHFFFAOYSA-N 382.479 3.791 0 40 GHAB COc1cccc([C@H]2c3ccccc3CCN2CC(=O)Nc2cc(C)on2)c1 19715915 IISHRMJEGPZHSS-QFIPXVFZSA-N 377.444 3.578 0 40 GHAB CCCc1c(C(=O)OCC)nnc2c(-c3ccc(Br)cc3)cnn12 19817019 JRPDCPFZUXPSOC-UHFFFAOYSA-N 389.253 3.683 0 40 GHAB CN(C(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)C1CCCC1 20491827 PXCLLPXIOBORCU-UHFFFAOYSA-N 386.517 3.667 0 40 GHAB O=C(Nc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898302 PZVMEDZZXTYQRJ-UHFFFAOYSA-N 392.908 3.521 0 40 GHAB CCOc1ccc(CCNC(=O)CCc2cc(C(C)=O)c(C)o2)cc1OCC 21703598 QKGIHKBXVZCRSJ-UHFFFAOYSA-N 387.476 3.880 0 40 GHAB O=C(CN1CCN(CCc2ccccc2)CC1)Nc1c(Cl)cccc1Cl 22915861 BJPGDMIFQJLFOC-UHFFFAOYSA-N 392.330 3.792 0 40 GHAB Cc1cc(C(=O)CN2CCN(Cc3ccsc3)CC2)c(C)n1Cc1ccco1 22928435 SWFLMRJFPNRVGS-UHFFFAOYSA-N 397.544 3.808 0 40 GHAB O=C(c1cc(Br)ccc1Cl)N1CCC(C(=O)N2CCCC2)CC1 22991661 TZDRNIKGGFQHAX-UHFFFAOYSA-N 399.716 3.577 0 40 GHAB O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(Cn2cccn2)cc1 24834606 VQDUOVYUMHIFOU-UHFFFAOYSA-N 390.270 3.933 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccc(OC(F)F)c(OC)c2)c(F)cc1F 24968317 JQAKHBYQVZWCQU-UHFFFAOYSA-N 387.285 3.614 0 40 GHAB COC(=O)c1ccc2c(c1)CCN2C(=O)CCc1ncc(-c2ccccc2F)o1 25184816 QSMOVDZOKYWDSH-UHFFFAOYSA-N 394.402 3.789 0 40 GHAB Cn1nc(CC(=O)Oc2ccccc2Cc2ccccc2)c2ccccc2c1=O 25721715 FBSICTFXEZIDEL-UHFFFAOYSA-N 384.435 3.672 0 40 GHAB CCn1cc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2CC)cn1 28240981 PEPDIIYCQPKWBW-UHFFFAOYSA-N 384.509 3.529 0 40 GHAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)/N=c3/sccn3C)cc2)o1 30992919 QFSYPFVVGWHTRA-QZQOTICOSA-N 376.441 3.853 0 40 GHAB O=C(CCC(=O)N1CCC[C@H](c2nnc3ccccn23)C1)c1ccc(Cl)cc1 30999733 AIICMJCXWGNPTQ-INIZCTEOSA-N 396.878 3.752 0 40 GHAB Cc1nc(C(F)(F)F)ccc1C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 31158620 UFXPHVIVSYWLNJ-MRXNPFEDSA-N 378.350 3.586 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc2c(c1)OCO2 33658545 GXBNSFNQAHHWJA-IBGZPJMESA-N 396.468 3.688 0 40 GHAB Cc1ccn(C[C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)n1 36614097 LSFFJYMFNYMZJN-CYBMUJFWSA-N 393.422 3.661 0 40 GHAB CCOC(=O)c1cnn(-c2ncnc3scc(-c4ccccc4Cl)c23)c1N 36646083 YZPJQZXXKRLCNJ-UHFFFAOYSA-N 399.863 3.956 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ccc(O)cc2)CC1 40097123 UFZCUXSHBSYMAY-UHFFFAOYSA-N 381.354 3.645 0 40 GHAB C[C@@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 40107470 LHQSTEBNLLGNFJ-CQSZACIVSA-N 397.441 3.810 0 40 GHAB CCOc1ccccc1OCCCC(=O)N1CCN(C)C[C@H]1c1ccccc1 48325822 QBDDEYSZXQOSJG-FQEVSTJZSA-N 382.504 3.760 0 40 GHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccnc1N1CCOCC1 54480170 CGJLDRDCVLTOHL-HNNXBMFYSA-N 380.448 3.889 0 40 GHAB Cc1ccnc2nc(C(=O)N(Cc3ccc(Cl)c(Cl)c3)C(C)C)nn12 55737058 GZRADIMRDVUKDH-UHFFFAOYSA-N 378.263 3.790 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccco2)c(OCc2ccccc2)c1 55784909 ORFXLEHFEWAXIP-UHFFFAOYSA-N 378.428 3.878 0 40 GHAB Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1ccc(F)c2ncccc12 57994010 KSUFIKXFMKBNHO-UHFFFAOYSA-N 399.447 3.832 0 40 GHAB CCN(CCC(F)(F)F)C(=O)NC1CCN(Cc2ccccc2F)CC1 58168967 VZYNKAQHJJQSBW-UHFFFAOYSA-N 375.410 3.774 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)NC2(C)CCC(C)CC2)cs1 58330991 NJFBKUJVINOXBZ-UHFFFAOYSA-N 375.494 3.924 0 40 GHAB CCN(CC)Cc1nnc2sc(C(C)(C)Oc3ccc(Cl)cc3)nn12 61722206 ADLFJGIUGMSMTF-UHFFFAOYSA-N 379.917 3.995 0 40 GHAB O=C1C[C@H](c2ccccc2)N(CCOc2ccc(Cl)cc2Cl)CCN1 69393306 IYHQSQPJGNMKBW-QGZVFWFLSA-N 379.287 3.935 0 40 GHAB O=C(CN1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1)N1CCCC1 72348783 AKTFYBBWEGZGBN-UHFFFAOYSA-N 381.495 3.613 0 40 GHAB O=C(c1cnccn1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349214 RQMMNYKBUOPBMT-QGZVFWFLSA-N 376.435 3.621 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(O)=Nc2nnc(-c3ccco3)n21 72403773 BNTWTRMXMVPJRR-NSHDSACASA-N 391.309 3.728 0 40 GHAB O=S(=O)(NC1(c2nc(-c3ccsc3)no2)CCCCC1)c1ccccc1 77197585 UKGBLKOLUKBHSJ-UHFFFAOYSA-N 389.502 3.936 0 40 GHAB CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1C 79111603 AADJHUOGSWOMPJ-UHFFFAOYSA-N 390.383 3.628 0 40 GHAB Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)s1 84205461 CUOXFXNYKOSLDV-UHFFFAOYSA-N 381.457 3.672 0 40 GHAB COc1ccccc1-c1cc(NC(=O)C2CCOCC2)n(-c2ccccc2)n1 89481872 UVYNWQHEUZEUQL-UHFFFAOYSA-N 377.444 3.913 0 40 GHAB O=C(OCC(=O)N1CCC[C@H]1c1cccs1)c1cc(O)c2ccccc2c1O 89866618 ILUIJFDXRAMJSH-INIZCTEOSA-N 397.452 3.833 0 40 GHAB O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc2c(c1)OCO2 90607123 IRHGUQSXNZGCMX-UHFFFAOYSA-N 390.443 3.719 0 40 GHAB COc1ccc(C)nc1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 95966155 GKIBETZXXORXKQ-UHFFFAOYSA-N 376.338 3.855 0 40 GHAB COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cccc(OC)c4)C3)C2)c1 96215659 RCWULEUEKRFAIO-XMMPIXPASA-N 394.515 3.832 0 40 GHAB Cc1cc(S(N)(=O)=O)cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1C 97105347 DOOBFCCOAYHMHF-UHFFFAOYSA-N 397.378 3.687 0 40 GHAB CCc1ccccc1NC(=O)N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 98212956 OVGAMXRIDDSQQG-GOSISDBHSA-N 391.475 3.695 0 40 GHAB Cc1nc2ccc(NC(=O)C34C[C@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)cc2s1 100770336 XOJBRZXHXVVPRR-RCRDTURJSA-N 394.504 3.525 0 40 GHAB CCn1/c(=N/C(=O)c2c(F)cccc2F)sc2c(OC)ccc(OC)c21 100909049 FKPUBFKFSZTXET-UZYVYHOESA-N 378.400 3.759 0 40 GHAB CC1(C)CC(O)CC(C)(C)N1C[C@H](O)CCO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102579326 LVHVVULBVCVEDK-ZQYRFBGISA-N 381.601 3.983 0 40 GHAB O=C(CNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)Nc1ccc(F)c(F)c1 102811656 NGNYRQQPIZOOTK-TYGXQLQZSA-N 382.838 3.597 0 40 GHAB CSc1ccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 104571186 PTPSQTVZTQZOGE-UHFFFAOYSA-N 395.893 3.590 0 40 GHAB O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CCOc2ccccc21 106576148 YPKZXKSDFJXRBE-FPOVZHCZSA-N 379.504 3.722 0 40 GHAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 106680879 YUXZTTPJUIPNJR-PDGQHHTCSA-N 397.452 3.865 0 40 GHAB O=C(O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 113874616 YNRUFJSLEXXUQX-UHFFFAOYSA-N 394.663 3.927 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(Br)c(Cl)c1 171534211 RLTVWSAMAJAAJV-UHFFFAOYSA-N 381.613 3.649 0 40 GHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2cccs2)no1 176199116 XNUCKQXJRQVLTK-LBPRGKRZSA-N 377.853 3.925 0 40 GHAB COc1ccc(C(=O)N2CCN(C)CC2)cc1COc1ccc(C(C)(C)C)cc1 224185040 QVFYKELSQZAZKQ-UHFFFAOYSA-N 396.531 3.959 0 40 GHAB CCOc1cccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 224253826 KECMKRSSURCQMG-UHFFFAOYSA-N 380.491 3.566 0 40 GHAB COc1cccc(-c2cnc(CCC(=O)N3CCN(c4ccccc4)CC3)o2)c1 224849024 ZXCOSZNNKQVIHM-UHFFFAOYSA-N 391.471 3.632 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 224879084 LOQCRLHSZIGTKD-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB O=C(O)c1ccc(Br)c(NC(=S)NC(=O)C2CCCCC2)c1 226354211 JKHWLYYWMYVIQF-UHFFFAOYSA-N 385.283 3.541 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@H](Cc2cncc(-c3cccc(C(=O)O)c3)n2)C1 257203401 APVLVSIYHCHLCJ-OAHLLOKOSA-N 381.476 3.669 0 40 GHAB Cc1ncsc1-c1ccc(C(=O)N2[C@@H]3CN[C@@H]4CCCC[C@H]2[C@]4(C)C3)cn1 257283393 OYCRLLZYQDNLJG-CQSHLORDSA-N 382.533 3.649 0 40 GHAB CN1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccccn1 257307734 TTWFOMKNZOUGON-QMDPOKHVSA-N 375.516 3.780 0 40 GHAB Cc1cnn(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)c1 257308562 TXEXAVHGZCCUQC-IBGZPJMESA-N 382.439 3.663 0 40 GHAB Cc1ccc(CC(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C)nn43)CC2)cc1 257338184 YWIRONLCZDHWCZ-MXVIHJGJSA-N 376.504 3.979 0 40 GHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2CN(Cc3ccccn3)C[C@H]21 306130785 JPHWQYBFLPDZDM-UYAOXDASSA-N 382.510 3.565 0 40 GHAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 409302357 IIZUDJJPSDPQNW-LZYBPNLTSA-N 388.395 3.948 0 40 GHAB CCc1oc2ccccc2c1CC(=O)N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 529202363 HGSUXXNNEDBVSB-AWEZNQCLSA-N 389.459 3.904 0 40 GHAB O=C(Nc1nc(CN2CCOCC2)cs1)N1CC2(CCC2)[C@@H]1c1ccccc1 562584099 GWOZTRUOGMPEOJ-SFHVURJKSA-N 398.532 3.734 0 40 GHAB O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)c1c(F)cccc1Cl 575610830 BTYVNCCMIPLYQP-FQEVSTJZSA-N 377.843 3.523 0 40 GHAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1 575615597 FFOHDDVVYIRNOL-FQEVSTJZSA-N 389.499 3.867 0 40 GHAB Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)c(Cl)cc1F 616793480 LOTQLUUDWUIXRM-SJLPKXTDSA-N 377.847 3.654 0 40 GHAB C[C@H](NC(=O)N[C@@H](C)C1CCC(F)(F)CC1)c1ncc(Br)cn1 654573446 FAONQMXBKQMQCU-UWVGGRQHSA-N 391.260 3.813 0 40 GHAB CC1(C)C[C@]1(NC(=O)NCc1ncn(Cc2cccc(F)c2)n1)c1ccccc1 664719806 DCTVEXWDOLJUSP-QFIPXVFZSA-N 393.466 3.590 0 40 GHAB Cc1nn(C)c(C)c1[C@H](C)c1nc([C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)no1 665005979 PQGMBKPLOCWUCJ-DOXZYTNZSA-N 395.507 3.534 0 40 GHAB O=C(NCC1(c2ccc(F)cc2Cl)CC1)N1CCC[C@H](n2ccnc2)C1 677997381 ZJDNXNVTZKIDBA-HNNXBMFYSA-N 376.863 3.754 0 40 GHAB CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCN(C[C@H](O)C(C)(C)C)CC1 1615540309 JJTGONJHZLYLKA-KRWDZBQOSA-N 386.458 3.649 0 40 GHAB O=C1CO[C@]2(CCCN(CCc3ccccc3)CC2)CN1c1ccc(F)cc1 2037840824 SLGJQXWNKPUWCU-QHCPKHFHSA-N 382.479 3.656 0 40 GHAB O=C([C@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1)N1CCC(F)(F)CC1 2298188688 VOIQCVAQSIKCQZ-LBPRGKRZSA-N 377.357 3.575 0 40 GHAB Cc1nc(SCC(=O)N2c3ccccc3C[C@H]2C)n(C[C@H]2CCCO2)c1C 22091957 BKXHUDHZEGBKED-RDTXWAMCSA-N 385.533 3.749 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 801364 CEDRTSIXMZEFCR-QGZVFWFLSA-N 392.908 3.749 0 40 GHAB Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2F)S(C)(=O)=O)c(C)c1 8881339 VKQCIGPVHOSIDT-UHFFFAOYSA-N 384.860 3.501 0 40 GHAB Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2nc3ccccc3s2)c1 1353475 SPNWIYOJKOCOLG-UHFFFAOYSA-N 396.501 3.620 0 40 GHAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1cc(C)cc(C)c1 1362775 HNRWWWBISOASAI-INIZCTEOSA-N 395.532 3.953 0 40 GHAB CCCCCn1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc21 2339226 STJXUWCHLVSZFN-UHFFFAOYSA-N 377.448 3.880 0 40 GHAB CC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2cccc(NC(=O)C3CC3)c2)C1 4581391 UIIAODUJUMDQCH-JXFKEZNVSA-N 376.522 3.624 0 40 GHAB Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 6449085 AMCDVHIRWCWXNJ-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CCc1cccc(CC)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7345293 XYFIQXXSWYOOIF-UHFFFAOYSA-N 386.517 3.848 0 40 GHAB COc1cccc(CN(Cc2c[nH]nc2C(C)(C)C)C[C@@H]2CCCO2)c1OC 57810957 ILTPSJNNHWXQIT-SFHVURJKSA-N 387.524 3.906 0 40 GHAB CCC[C@@H](C)NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 10324148 JIULJOPIBMZDHC-QGZVFWFLSA-N 388.533 3.880 0 40 GHAB CCCCc1nnc(NC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)s1 23362657 QPGZWZVKFZAYQM-OAHLLOKOSA-N 394.928 3.927 0 40 GHAB CCOc1cc(C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc(OCC)c1OCC 9526634 VGQXCDQAHDASBB-UHFFFAOYSA-N 386.404 3.570 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)c1c(O)n2c3c(cccc3c1=O)CCC2 1294362 BYHLZJPHJBSNRQ-UHFFFAOYSA-N 388.345 3.924 0 40 GHAB O=C(Cc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(N2CCOCC2)cc1 1393580 JKYZVLLCPRYHFU-UHFFFAOYSA-N 399.800 3.772 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2ccccc2F)c(Nc2ccc(F)c(C)c2)n1 57507703 VFINTOAKULYQRD-UHFFFAOYSA-N 384.386 3.521 0 40 GHAB Cc1cccc(N(C)C(=O)Cn2c(-c3cccc(Cl)c3)nc(C)cc2=O)c1 57526935 VKRYOFUKVNMRGV-UHFFFAOYSA-N 381.863 3.844 0 40 GHAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc2c(c1)OCCO2 22467050 LXNQWMDNXAVHTD-UHFFFAOYSA-N 380.444 3.726 0 40 GHAB CSc1nc(C)c(CCC(=O)N[C@H](CC(C)C)c2cccs2)c(=O)[nH]1 58213391 YRINWPLZPFBUJY-CQSZACIVSA-N 379.551 3.698 0 40 GHAB O=C(NCCCCc1ccccc1)C(=O)Nc1ccc(Br)cc1 59379414 SWYZSBDWQCZETB-UHFFFAOYSA-N 375.266 3.527 0 40 GHAB C[C@@H](C(=O)N1CCCCCC1)S(=O)(=O)Cc1csc(-c2ccccc2)n1 45340944 MYMQBNZVWVTRQH-HNNXBMFYSA-N 392.546 3.516 0 40 GHAB CCc1noc(CSc2nc3ccccc3c(=O)n2-c2ccccc2OC)n1 12777217 ACRPZXPWDUPCOB-UHFFFAOYSA-N 394.456 3.632 0 40 GHAB Cc1nc2cc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)ccc2o1 29796196 QPZRLPWEBGQRNR-UHFFFAOYSA-N 378.215 3.812 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 3393829 GSAMURJHWFIYRO-IZZDOVSWSA-N 377.387 3.977 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3Cl)C2)s1 12808478 RXBQWURFQSYWNT-ZDUSSCGKSA-N 398.937 3.749 0 40 GHAB CC(C)(C)c1ccc(CN(C(=O)c2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 8869341 QVZSVLVYXRRBJU-QGZVFWFLSA-N 391.558 3.875 0 40 GHAB Cc1cnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)s1 3560720 LWKSYVHAYPMACP-UHFFFAOYSA-N 399.925 3.532 0 40 GHAB COc1cc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc(OC)c1OC 12972106 GLXUVRGSJSZUEQ-UHFFFAOYSA-N 399.365 3.584 0 40 GHAB O=C(CN1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(Cl)cc1F 12979003 SNDPSRQNXXBGFW-AWEZNQCLSA-N 389.858 3.768 0 40 GHAB CCc1ccccc1N1C[C@@H](C(=O)OCc2nc3ccccc3nc2C)CC1=O 12928819 MIBVGYYTGQVDLI-KRWDZBQOSA-N 389.455 3.597 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c1 8991027 SMFOARMZHXSFQF-SFHVURJKSA-N 389.455 3.861 0 40 GHAB COc1c2c(cc3c1[C@@H](C[C@@H](OC(C)=O)c1ccccc1)N(C)CC3)OCO2 4029528 HOJWQTIDNXZUOL-QZTJIDSGSA-N 383.444 3.647 0 40 GHAB biogenic Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C 6052144 SXEUEYBSEQZVSI-UHFFFAOYSA-N 386.395 3.516 0 40 GHAB COC(=O)/C(=C\c1cccnc1)NC(=O)c1ccc(OCc2ccccc2)cc1 5009186 DGURMQLBCSTHLH-KGENOOAVSA-N 388.423 3.605 0 40 GHAB COC(=O)CSc1ncnc2c1sc1nc(N3CCCCC3)cc(C)c12 71279934 IFBHTLSKXAOHRX-UHFFFAOYSA-N 388.518 3.803 0 40 GHAB O=C(Nc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1)c1ccccc1 9199231 UBLDRYDHLFFGNH-ZDUSSCGKSA-N 398.875 3.964 0 40 GHAB COCc1c(C(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)oc2ccccc12 5199172 MQZPWFBEMWPTIU-UHFFFAOYSA-N 383.400 3.766 0 40 GHAB CCCN(C(=O)Cc1c(C)noc1C)[C@H](C)C(=O)Nc1cccc(Cl)c1 13986577 FGDVFCZQCOLAOP-CYBMUJFWSA-N 377.872 3.753 0 40 GHAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)C1 65565506 CXWWDQDSDTYLHN-JKSUJKDBSA-N 395.503 3.710 0 40 GHAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCC(CCc3ccccc3)CC1)C2=O 14201602 SNKMDNGSRAIBSX-JPYJTQIMSA-N 383.536 3.789 0 40 GHAB CCCn1c(SCC(=O)NCc2ccc(C)cc2)nc2ccccc2c1=O 6560638 DJKVCBMRUUFIKP-UHFFFAOYSA-N 381.501 3.523 0 40 GHAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 408619175 GITVCGXRLYRJMR-UHFFFAOYSA-N 394.500 3.509 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)CCCC4)CC2=O)cc1Cl 4975655 RJQFCRUYZVCEEN-LBPRGKRZSA-N 389.908 3.975 0 40 GHAB CCOC(=O)c1sc2ncn(CCOc3ccc(Cl)cc3)c(=O)c2c1C 7439175 KXEAHTDRRHDCBP-UHFFFAOYSA-N 392.864 3.676 0 40 GHAB O=C(COc1ccc2c(c1)CCC2)NCc1ccccc1CN1CCCCC1 7850303 GUYPYTVXSVLMRC-UHFFFAOYSA-N 378.516 3.856 0 40 GHAB Cc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)Nc1ccc(F)cc1 7918516 SMBBBQAXKGDRCA-UHFFFAOYSA-N 390.480 3.997 0 40 GHAB Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@@H]2c1cccc(Cl)c1 9422116 NDZSYYQLOLNGKO-IBGZPJMESA-N 391.862 3.596 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)N[C@@H](c1ccc(F)cc1)c1cccs1 9499071 CFLQLANBBJQCEN-NRFANRHFSA-N 393.443 3.503 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 16780785 SMNTVEDKRYVLBR-UHFFFAOYSA-N 378.472 3.873 0 40 GHAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)n1C 8365540 PBJZWRGGHSQKQP-CYBMUJFWSA-N 387.534 3.983 0 40 GHAB CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C 8404188 DNVKLKWPGPVGHF-UHFFFAOYSA-N 390.509 3.824 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)c3cc(C)n(C4CC4)c3C)C(=O)[C@H]2C)cc1 9882300 BMAWCPUIFVAIAL-MRXNPFEDSA-N 379.460 3.788 0 40 GHAB CCn1cc(C(=O)N[C@H](C)c2ccccc2OC)c(=O)c2cc(OC)ccc21 22236065 YGNTZHURMVDLGW-CQSZACIVSA-N 380.444 3.530 0 40 GHAB Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)CCc2ccc3ccccc3c2)cn1 95452756 CUCKZBYUXVGXIM-FGZHOGPDSA-N 377.488 3.621 0 40 GHAB CCOc1ccc(OCC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1 84809312 HQHVLBVUYSNDGZ-QGZVFWFLSA-N 393.487 3.706 0 40 GHAB CNC(=O)c1cccc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)n1 95972209 ADVRZUBBVXJYDZ-UHFFFAOYSA-N 392.484 3.857 0 40 GHAB COc1ccccc1C1(CNC(=O)N2CC[C@@H](n3cc(C)cn3)C2)CCCC1 555178320 AIKUAWNYDQYZAG-GOSISDBHSA-N 382.508 3.669 0 40 GHAB S=C(NCCN1CCOCC1)c1ccc(OCc2ccc(Cl)cc2)cc1 408575848 OPJHPRCLJNBCGB-UHFFFAOYSA-N 390.936 3.516 0 40 GHAB COCCn1ccc2cc(C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)ccc21 524732434 CXALIODRQFOQIU-LJQANCHMSA-N 394.471 3.722 0 40 GHAB CC(C)c1nnc2ccc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nn12 524735241 KLTAEQDWKJWIDY-UHFFFAOYSA-N 395.410 3.997 0 40 GHAB Cc1nc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)sc1-c1ccccn1 33164527 BHPPFYSEURKYRT-MRXNPFEDSA-N 382.420 3.784 0 40 GHAB CCOC(=O)c1ccc(NC(=O)Cc2c(C)n[nH]c2-c2ccc(OC)cc2)cc1 44900576 WJIHQKNSUWMNOI-UHFFFAOYSA-N 393.443 3.752 0 40 GHAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 222874342 WIBLHZYYTDREGW-LJQANCHMSA-N 398.572 3.742 0 40 GHAB O=C(NCCSC1CCCC1)c1cccc(I)c1 48443800 RYOLWYNOSSDECT-UHFFFAOYSA-N 375.275 3.697 0 40 GHAB CSc1ccccc1C(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1 77192080 OXGLSTDBOXLMJE-UHFFFAOYSA-N 399.497 3.909 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 222473846 BWEHVQQZVZGSJH-IBGZPJMESA-N 382.504 3.626 0 40 GHAB CCSc1ncc(Cl)c(C(=O)NCCC(=O)Nc2c(C)cccc2C)n1 41156180 JOSYQAVPSJZUOF-UHFFFAOYSA-N 392.912 3.617 0 40 GHAB CN(C)Cc1cccc(C(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)c1 40158621 AMHHQWPGRHTVRJ-UHFFFAOYSA-N 387.483 3.931 0 40 GHAB CCCNC(=S)Nc1nc(N2CCCCC2)cc(N2Cc3ccccc3C2)n1 225885182 JOWJKIRSOFCCBE-UHFFFAOYSA-N 396.564 3.684 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)cc1 225410576 AXSFOMASTQAECG-MOPGFXCFSA-N 396.531 3.878 0 40 GHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1c(F)cccc1Cl 224092331 XXIUYYCZUUEMML-HNNXBMFYSA-N 390.886 3.618 0 40 GHAB COCCOc1ccc([C@H](C)NC(=O)c2ccc(Br)o2)cc1OC 48361846 POXRSDDTWKNVOJ-NSHDSACASA-N 398.253 3.567 0 40 GHAB CC[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc(C)c(C)c1 222443517 XAJMIHIJDGKROR-IBGZPJMESA-N 388.533 3.889 0 40 GHAB O=C(c1cc(Br)cs1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225677272 DGXSQNWZOWMGLU-LLVKDONJSA-N 380.263 3.869 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 223672092 ZAWVDUPJYPKFPC-HXUWFJFHSA-N 396.531 3.852 0 40 GHAB Cc1ccccc1CC(=O)N[C@@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1 90591845 BFJQRTYXSJTYRF-GOSISDBHSA-N 390.462 3.529 0 40 GHAB O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)C1(n2cnnn2)CCCCC1 96223856 HPHLTMOTDWCJCF-MRXNPFEDSA-N 398.898 3.661 0 40 GHAB COc1ccc(Cc2nnc(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C43CC3)s2)cc1OC 247925344 PZLHFVNFXTVERU-QLFBSQMISA-N 397.500 3.687 0 40 GHAB Cc1cc(C(=O)N2CCCC[C@H]2c2cc(C)nc(-c3c(C)noc3C)n2)on1 257325505 WTEYNBWLQWHBPE-INIZCTEOSA-N 381.436 3.721 0 40 GHAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(C(=O)c1ccccn1)CCO2 257222130 DSAXGVUDWVXBGO-RRPUWOKSSA-N 398.478 3.866 0 40 GHAB CCNc1nc(C)c(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4F)CC[C@H]3C2)s1 257325180 WRVFGNOEELHDDE-LZWOXQAQSA-N 389.496 3.952 0 40 GHAB COc1ccccc1C(=O)N(C)C[C@H]1CC[C@H](c2cc(CN(C)C)n(C)n2)CC1 257325678 WTYZVYHAZOSAIZ-IYARVYRRSA-N 398.551 3.536 0 40 GHAB C[C@H]1CN(Cc2ccc(C(=O)Nc3n[nH]cc3-c3ccccc3)cc2)C[C@@H](C)O1 1158669792 KINZSURALIJDED-CALCHBBNSA-N 390.487 3.938 0 40 GHAB CC(=O)N1CCCC[C@@H]2[C@H]1CCCN2C[C@]1(O)CC[C@@H](c2ccccc2)CC1 585282563 GZIFNQPUDSPNCF-YCAMKHIRSA-N 384.564 3.941 0 40 GHAB Cc1nc(/C=C/C(=O)N2CC[C@@H]3O[C@@](C)(COc4ccccc4)C[C@@H]3C2)cs1 585290863 WYPACVDVQYMGQL-GTKAUMRRSA-N 398.528 3.940 0 40 GHAB COc1ccc(F)cc1CN1CCC2(CC1)CC(=O)N(C)Cc1ccccc1N2 1615529359 IEOWHNAINRWAFX-UHFFFAOYSA-N 397.494 3.643 0 40 GHAB COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccccc1Cl 5512724 NWIXPTWSRRHHJB-UHFFFAOYSA-N 391.876 3.576 0 40 GHAB Cc1cc(-c2cncnc2C2CCN(C(=O)c3sc(C)nc3C)CC2)on1 12118319 JCHUPFZWNCIANA-UHFFFAOYSA-N 383.477 3.533 0 40 GHAB COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)c1 12330038 OAHMNRCHVPFMQI-YADHBBJMSA-N 397.515 3.696 0 40 GHAB C[C@H](Sc1nnc(N)s1)C(=O)N(Cc1ccccc1)Cc1ccccc1 15156426 RGWKKNZCQOAYFY-AWEZNQCLSA-N 384.530 3.830 0 40 GHAB Cc1c(C(=O)N2CCC[C@H](c3cc(CN(C)C)n(C)n3)C2)oc2c(F)cccc12 19709016 XXAIOONIGTXOIE-HNNXBMFYSA-N 398.482 3.695 0 40 GHAB Cc1cn(C)c2ccc(C(=O)N[C@H](CCN3CCOCC3)c3ccccc3)cc12 19714310 ZTABLEWYRAPRJP-JOCHJYFZSA-N 391.515 3.680 0 40 GHAB Cc1nc([C@@H]2CCCN(Cc3ccccc3)C2)ncc1C(=O)N1CCCCC1 19763153 FQKBLQNFWFQZSZ-HXUWFJFHSA-N 378.520 3.791 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccccc1Cl 19855548 XEZDBVBPVGXHSU-UHFFFAOYSA-N 388.876 3.898 0 40 GHAB Cc1ccc2c(COC(=O)/C=C/c3ccc4c(c3)OCCO4)cc(=O)oc2c1C 5307689 NROZQTREFRNIJG-VMPITWQZSA-N 392.407 3.938 0 40 GHAB CN(C)c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]3NCCCC[C@H]32)cc1 19584799 WBMTVMRFVFCTFX-DNVJHFABSA-N 377.532 3.893 0 40 GHAB CN1CCCc2ccc(NC(=O)CCn3c(=O)oc4cc(Cl)ccc43)cc21 19661533 YSWRGIAIWHHXEL-UHFFFAOYSA-N 385.851 3.659 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1c(Cl)cccc1Cl 6892111 JUJWLICMBNHUGW-UHFFFAOYSA-N 396.226 3.966 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSc1nc(COc2ccc(Cl)cc2)n[nH]1 21158462 RZIRSSQUYFOTDS-GFCCVEGCSA-N 380.901 3.530 0 40 GHAB C[C@@H]1CCc2sc(NC(=O)c3ccccc3Br)c(C(N)=O)c2C1 1518464 LBNPFTBTMXIUJE-SECBINFHSA-N 393.306 3.987 0 40 GHAB COC(=O)[C@]1(C(F)(F)F)N=C2C(C)=CC=CN2C(c2ccc(Cl)cc2)=N1 3619197 PJEUHLQAIDYYPE-INIZCTEOSA-N 383.757 3.706 0 40 GHAB COc1ccccc1N(CN1CCCC1=O)C(=O)c1ccc(OC(C)C)cc1 4137965 FYOSXGLBBWWYRC-UHFFFAOYSA-N 382.460 3.709 0 40 GHAB CNC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CC[C@H](C)C2 5055575 CXJGQKJFWZMHNF-NSHDSACASA-N 396.468 3.591 0 40 GHAB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)N3CCCc4ccccc43)c(=O)c12 9316336 LGABJXVGGILDIE-UHFFFAOYSA-N 384.439 3.615 0 40 GHAB Cc1ccc(-c2csc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)n2)cc1 10252584 CFIUBIXQRUUVOD-UHFFFAOYSA-N 386.498 3.703 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)c1 10812185 FBGADQUOUSUZRQ-AWEZNQCLSA-N 398.937 3.892 0 40 GHAB NC(=O)c1ccccc1NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12 11902669 FNDXPOJNHZJXPJ-UHFFFAOYSA-N 380.404 3.553 0 40 GHAB C[C@]1(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2)C3)CC=CCC1 2055795808 BCUGWVZFCDDAOT-QFIPXVFZSA-N 384.495 3.913 0 40 GHAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)c3csc(-c4ccccc4)n3)C2)n1 585147455 ZQSKMMBCQQYTHL-QGZVFWFLSA-N 394.500 3.901 0 40 GHAB CCN(CC)Cc1ccccc1CNC(=O)N1CCN(c2ccccc2)CC1 40069038 FYBJYQGSVHJGGI-UHFFFAOYSA-N 380.536 3.560 0 40 GHAB Cc1cccc(COc2ccc(CNC(=O)c3ccc(NC(N)=O)cc3)cc2)c1 40089369 XCEWMOIOEVWEAI-UHFFFAOYSA-N 389.455 3.995 0 40 GHAB O=c1c(CN2CCCCC2)coc(O)c1CN1CCC(c2ccccc2)CC1 101373527 DSLBRNGQSVRIBG-UHFFFAOYSA-N 382.504 3.711 0 40 GHAB O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(N2CCCCC2=O)cc1 32582551 DNEBCUNKOIOOJZ-UHFFFAOYSA-N 386.835 3.880 0 40 GHAB COc1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1OC 32843268 LBSCINNNIOKLEP-UHFFFAOYSA-N 399.878 3.874 0 40 GHAB COc1cccc(OCCNC(=O)c2ncc(Cl)c(Cl)c2Cl)c1 32800847 VXPSKCARHNSUGJ-UHFFFAOYSA-N 375.639 3.859 0 40 GHAB CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2cccs2)CCCCCC1 32935847 VJHOHGQWAYSIPZ-UHFFFAOYSA-N 388.555 3.644 0 40 GHAB CCc1ccc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1 629867 ZZWIWUNAZMMJJT-UHFFFAOYSA-N 378.457 3.760 0 40 GHAB O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@@H](c2cccnc2)O1 1027085 AOYAKMISEMNJLY-RBBKRZOGSA-N 376.412 3.632 0 40 GHAB Cc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccn2)c(C)c1 1362489 TWSYOJVIBUKVSU-UHFFFAOYSA-N 393.516 3.661 0 40 GHAB COc1ccc(Cc2nn3c(Cc4ccccc4C)nnc3s2)cc1OC 2182919 IQDYRZUDINIGQP-UHFFFAOYSA-N 380.473 3.693 0 40 GHAB COc1ccccc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 2406277 UQJDOZDRYDKVGD-UHFFFAOYSA-N 388.493 3.952 0 40 GHAB CCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=C3SCCC(=O)N32)cc1 2484752 MBZYETMCSNYDQI-SFHVURJKSA-N 388.489 3.689 0 40 GHAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCOc2ccccc2)C1=O 2619949 CGCRHCWLNHKOOL-SFHVURJKSA-N 379.243 3.839 0 40 GHAB O=C(Nc1ccn(Cc2ccccc2Cl)n1)c1nn2cccnc2c1Cl 2794490 AMELVBFYRORTAD-UHFFFAOYSA-N 387.230 3.533 0 40 GHAB COc1ccc(-c2nsc(SCC(=O)NCCc3ccccc3)n2)cc1 3007392 ZFSKDVJWCKTVEZ-UHFFFAOYSA-N 385.514 3.665 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4385242 AFIJXLPWOYXNNK-LLVKDONJSA-N 379.243 3.994 0 40 GHAB Cc1nc(C)c(-c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)s1 4392228 UUQCNYSURTXAQW-UHFFFAOYSA-N 388.493 3.765 0 40 GHAB c1ccc(N(c2ccccc2)c2nc(N3CCOCC3)nc(-n3cccc3)n2)cc1 4575125 AKIOQMMRONNZDW-UHFFFAOYSA-N 398.470 3.969 0 40 GHAB CC[C@@H]1CCC2=NN(C(=O)COc3ccccc3C)[C@@](O)(C(F)(F)F)[C@@H]2C1 4677138 PYHQHGLUPUOWLY-LBTNJELSSA-N 384.398 3.649 0 40 GHAB CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc(F)cc1 4736211 PVTPRIMJBFECND-UHFFFAOYSA-N 381.436 3.633 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccccc2OC)cc1 4928800 ROEKHKIHBSFQES-FQEVSTJZSA-N 391.427 3.653 0 40 GHAB CCc1ccc(N2C(=O)C[C@H](c3ccc(OC)c(OC)c3)C3=C2COC3=O)cc1 4944672 LDNRNOTWQIFMPW-QGZVFWFLSA-N 393.439 3.598 0 40 GHAB Cc1cc2c(=O)n(C)c(SCC(=O)Nc3ccccc3Cl)nc2s1 5017054 MKPHFOMCSRSFKP-UHFFFAOYSA-N 379.894 3.688 0 40 GHAB O=S(=O)(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccccc1F 5084006 JJQIXDLZVZMMGY-UHFFFAOYSA-N 375.450 3.596 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-n2cccc2)c(C)c1 5242348 OMJUURFMSZFXLI-UHFFFAOYSA-N 393.472 3.999 0 40 GHAB CC[C@H](C(=O)Nc1cccc(Br)c1)n1cnc2ccccc2c1=O 5244461 UBBLIHIULVUIQS-MRXNPFEDSA-N 386.249 3.749 0 40 GHAB Cc1cc(O)c2c(C)c(CC(=O)NCc3c(F)cccc3Cl)c(=O)oc2c1 5348666 BJYVZVPMGLMGOM-UHFFFAOYSA-N 389.810 3.767 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1OC 5441818 LPTHOPCPCPRPEF-UHFFFAOYSA-N 382.460 3.710 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(Cl)nc1 5837632 RTGLFGCEHLCGOE-UHFFFAOYSA-N 393.896 3.552 0 40 GHAB CC(=O)c1ccc(OCC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 5855131 OSVPKERAQQGOLZ-UHFFFAOYSA-N 394.452 3.734 0 40 GHAB CC(C)NC(=O)CSc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 5937593 OKXDKQGGDOUSDI-UHFFFAOYSA-N 395.528 3.757 0 40 GHAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)c3ccccc3)n2C)cc1 6501939 NMNVDKJNHOKAEU-HNNXBMFYSA-N 394.500 3.590 0 40 GHAB Cc1ccc(-n2c(C)nnc2SCCCn2c(=O)[nH]c3ccccc32)cc1 6580081 IDWYLKWZBIDPMN-UHFFFAOYSA-N 379.489 3.710 0 40 GHAB Cc1cc(NC(=O)CNCCc2ccccc2)n(-c2nc3ccccc3s2)n1 6796780 AHMOHFRPDZGYAI-UHFFFAOYSA-N 391.500 3.561 0 40 GHAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc2ccccc2nc1Cl 6850354 GUINROXQCZFTSI-OAQYLSRUSA-N 393.830 3.618 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1F 7482791 VTMZGHYLCVXZPC-UHFFFAOYSA-N 377.799 3.932 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)N(CC(F)(F)F)[C@H](C)C3CC3)CC2=O)cc1 7737660 LBUNNVXAVNNLIL-HIFRSBDPSA-N 398.425 3.628 0 40 GHAB C[C@H]1Oc2c(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cccc2[C@H]1C 8267372 SYLRVFVCXBHGQR-LSDHHAIUSA-N 391.471 3.691 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)/C=C/c1ccc(-n2ccnc2)cc1 8425182 JVGJQUNOCGKNHH-DHZHZOJOSA-N 394.862 3.636 0 40 GHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(-n2cnnn2)cc1 9514987 JFISKPBTYGLPJQ-UHFFFAOYSA-N 393.834 3.848 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(C(N)=O)cc1 9691197 LUCBMKBXEOYDQB-UHFFFAOYSA-N 399.800 3.528 0 40 GHAB COc1cc(N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)ccc1N1CCCC1=O 10185239 PMGUEEBIIVURML-LBPRGKRZSA-N 389.402 3.539 0 40 GHAB O=c1oc2ccccc2c(NCCCN2CCOCC2)c1Cc1ccccc1 10313723 XKEPALBGXBMYFR-UHFFFAOYSA-N 378.472 3.518 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)CCn1ccc2ccccc21)c1ccc(F)cc1 10656748 YDUVGHJTCTXWNA-NRFANRHFSA-N 376.435 3.810 0 40 GHAB Cc1cccc(OCCN(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 10999526 ZDKHDNMWNCHIDJ-UHFFFAOYSA-N 398.478 3.524 0 40 GHAB CCc1ccc(C(=O)[C@H](C)OC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1 11472232 WHWOMBYRSGAYKR-HNNXBMFYSA-N 392.455 3.715 0 40 GHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)cc1 11497329 OHEZVKKXUBWKFG-UHFFFAOYSA-N 383.473 3.951 0 40 GHAB COc1cc(C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)cc(Cl)c1OC(C)C 11823946 NWJMVIKSWNPMAI-CQSZACIVSA-N 397.899 3.940 0 40 GHAB Cc1cc(C)nc(SCc2nc3cc(NC(=S)NC4CC4)ccc3n2C)n1 12322704 MFJFBIZGKCLQKN-UHFFFAOYSA-N 398.561 3.721 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)c1C 12544870 NLPMBATZGDMUQA-UHFFFAOYSA-N 386.517 3.922 0 40 GHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc(OCc2ccccc2)cc1 12783459 HFWLYTQLZPTWRM-UHFFFAOYSA-N 375.384 3.656 0 40 GHAB COc1ccc(CCNC(=O)/C=C/c2ccccc2OC(F)F)cc1OC 12798233 JHVHJXVZRSXHRJ-CSKARUKUSA-N 377.387 3.677 0 40 GHAB COC(=O)C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1cccs1 12861072 UQVDIKMISDJJNA-GFCCVEGCSA-N 388.272 3.854 0 40 GHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(-c3ccc4c(c3)CCC4)cs1)CS2 13009539 PIYWYIYJRQPDEV-OXQOHEQNSA-N 399.541 3.691 0 40 GHAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H]1c1nnc(-c2ccsc2)o1 19293140 JDMTXOVMZMLJOU-AWEZNQCLSA-N 397.428 3.602 0 40 GHAB Nc1cc2ccccc2nc1C1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)CC1 19376222 CQNUGYNSNKBFNH-NRFANRHFSA-N 395.890 3.910 0 40 GHAB COCC(=O)N1CCC(c2noc3nc(C(C)C)cc(C(F)(F)F)c23)CC1 19452132 ZLEJKCRBRJNQPU-UHFFFAOYSA-N 385.386 3.717 0 40 GHAB C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc(-c2cccnc2)n[nH]1 19458022 NEVOXUHPSQYLLY-INIZCTEOSA-N 383.455 3.954 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)Cc1ccc2c(c1)CCCO2 19578414 KVNRVPOHXQLHGT-UHFFFAOYSA-N 393.462 3.812 0 40 GHAB O=C(C[C@@H](c1ccccc1)N1CCOCC1)N1CCc2[nH]c3ccccc3c2C1 19656340 SSEFRZFAEKLTNE-QHCPKHFHSA-N 389.499 3.516 0 40 GHAB CCCOc1ccc2[nH]c(C)c(CN3CCN(c4ccccc4)CC3)c(=O)c2c1 19793732 VIAXEHVOPVHEQF-UHFFFAOYSA-N 391.515 3.948 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 19943046 QVMUOORWMBRODM-RYUDHWBXSA-N 376.316 3.514 0 40 GHAB O=C(CCCc1cn(CN2CCCCCC2)c2ccccc12)N1CCOCC1 20625359 XYFKPOUZPGATCG-UHFFFAOYSA-N 383.536 3.656 0 40 GHAB CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(OC)cc2)c2ccccc21 20723322 SFVFOOVNAIJQSK-JOCHJYFZSA-N 388.427 3.525 0 40 GHAB Cc1nc([C@@H](C)NCc2ccc(-c3ccn(CCn4cccn4)n3)o2)cs1 20865233 JREMXOJJIWBKHR-CQSZACIVSA-N 382.493 3.656 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCOCC2)cc1 21805477 VSIUWSQZKQDJFA-GOSISDBHSA-N 397.500 3.515 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 23074562 NDUNQEKKAAEQDN-UHFFFAOYSA-N 398.528 3.549 0 40 GHAB C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc2c(c1)CCCC2 24316133 LWSQOCSPBGYENF-OAHLLOKOSA-N 376.456 3.710 0 40 GHAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 26618466 RMFHKUKSDVFYMO-IRXDYDNUSA-N 380.410 3.803 0 40 GHAB CC(C)[C@H](NCC(=O)N1CCC[C@H](C(N)=O)C1)c1ccc(C2CCCCC2)cc1 27452676 CDAUFLOZOPWVGS-GMAHTHKFSA-N 399.579 3.745 0 40 GHAB Cc1c(C(=O)COC(=O)c2cccc(N3CCCC3=O)c2)oc2ccccc12 28005224 JNOUDSARUHXMTG-UHFFFAOYSA-N 377.396 3.908 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc2c(c1)CCC(=O)N2 31988395 FXGDQDVFOXIVCH-UHFFFAOYSA-N 388.349 3.579 0 40 GHAB COc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1Br 32760831 OWLCTQRSGQOAKN-CQSZACIVSA-N 384.657 3.575 0 40 GHAB O=C(NCc1ccccc1)NC1(C(=O)NCc2ccccc2Cl)CCCC1 32907870 YFFPWKFZOXFOGX-UHFFFAOYSA-N 385.895 3.768 0 40 GHAB CCOC(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 33599044 RJYUZJOZWMZAQN-UHFFFAOYSA-N 387.867 3.871 0 40 GHAB CCOc1ccc(C(=O)C2CCN(Cc3nnnn3C3CCCCC3)CC2)cc1 35314501 RIIBPIYPUQNXKU-UHFFFAOYSA-N 397.523 3.672 0 40 GHAB COc1cc(CN(CCCn2ccnc2)Cc2ccc(C)o2)cc2c1OCO2 36740281 YUQQMWPXPHTHPG-UHFFFAOYSA-N 383.448 3.614 0 40 GHAB COc1cccc(C(=O)Nc2ccccc2NC(=O)c2ccccn2)c1OC 38490112 ZKABSRXSLPVCDN-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)CCc2cccs2)CC1 40105395 MPUMINLQIASIKK-UHFFFAOYSA-N 375.469 3.633 0 40 GHAB COc1ccc(C(=O)Nc2cc(-c3nc(C)no3)ccc2C)c(OC)c1OC 40151094 NBCIQLZHLBGEEU-UHFFFAOYSA-N 383.404 3.632 0 40 GHAB O=C(Nc1cccc(Cn2cccn2)c1)N(Cc1cccnc1)C[C@H]1CCCO1 48235247 GAFKFADNGIXCMM-OAQYLSRUSA-N 391.475 3.540 0 40 GHAB Cc1ccc2nc(COC(=O)[C@H](C)Oc3cccc(C(C)(C)C)c3)cc(=O)n2c1 48354393 HFBCVGOLCKNJGS-INIZCTEOSA-N 394.471 3.811 0 40 GHAB Cc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc3nncn3c2)cc1 49408253 NGVVMLLEDNSBLY-UHFFFAOYSA-N 396.447 3.572 0 40 GHAB CCCc1noc([C@@H]2CCCCN2CC(=O)Nc2ccc(F)c(Cl)c2)n1 49411822 VGOHLUNJTQQLMM-HNNXBMFYSA-N 380.851 3.980 0 40 GHAB CSc1ccc([C@H](C)NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 52750221 FLKFBUVPSMSPNH-HNNXBMFYSA-N 379.485 3.510 0 40 GHAB CC(C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1 57487976 RWRDKGCTPPYXGX-UHFFFAOYSA-N 393.921 3.717 0 40 GHAB COc1ccccc1-c1nn(Cc2ccccc2)cc1CNCCCN(C)C 58170312 VEKGRPMTXVBBDF-UHFFFAOYSA-N 378.520 3.648 0 40 GHAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 58406653 DKYRKMDFFXPMNF-LEWJYISDSA-N 395.522 3.680 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)c(C)c1 71327218 OWWGKLDGJUDWDA-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB O=C(c1cn[nH]c1-c1cccc(Cl)c1)N1CCN(c2ccccc2F)CC1 72328636 YSRBTODYYNUUKY-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)cc1C 72333901 DUGAWVMXXSPRPW-UHFFFAOYSA-N 376.250 3.539 0 40 GHAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 72356172 OYQUMWJQTWHGBM-SFHVURJKSA-N 378.451 3.863 0 40 GHAB Cc1nc(N)c2ccc([C@@H]3CCCCN3C(=O)CCc3ccccc3)nc2n1 72377332 ZJTGVLWIJPHDKD-IBGZPJMESA-N 375.476 3.602 0 40 GHAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@H](C[S@](C)=O)c1ccccc1 78879126 NBTVGHBHVBWBTN-UBUJSBSDSA-N 385.529 3.741 0 40 GHAB CCCNC(=O)C1(NCc2ccc(OCc3ccccn3)cc2)CCCCC1 79023254 CWNZXRVQYABCFL-UHFFFAOYSA-N 381.520 3.979 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 79077161 BMONKXAYSKNWIA-AWEZNQCLSA-N 384.426 3.795 0 40 GHAB C[C@@H](CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCOCC1 80345458 KXVBAOMBFHYGPN-LBPRGKRZSA-N 383.275 3.704 0 40 GHAB O=C(Nc1c[nH]nc1-c1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 89847960 APIMYYDBZDVMLQ-QGZVFWFLSA-N 392.434 3.707 0 40 GHAB Cc1nc(NC(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc23)n[nH]1 95409214 QFBPIYCZRRTXIM-UHFFFAOYSA-N 386.253 3.862 0 40 GHAB COc1cccc(-c2nc(C)c(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)s2)c1 95479205 IMVLQSOULXYVFT-IERDGZPVSA-N 386.517 3.894 0 40 GHAB CCOC(=O)[C@]12CCCN(Cc3ccsc3)C[C@H]1CN(Cc1ccoc1)C2 96056028 NGVRLVPXMHSOIU-FPOVZHCZSA-N 388.533 3.618 0 40 GHAB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccccc2F)CCO1 96117617 IEVNHGLIIHHBHO-BDJLRTHQSA-N 391.468 3.633 0 40 GHAB O=C(/C(=C\c1ccco1)n1nnnc1-c1ccccc1)N1CCc2ccccc21 96820637 JJTNFSNVXSMPIE-HMMYKYKNSA-N 383.411 3.521 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc(F)cc1)NC[C@@H]1CCN(c2ccccc2)C1 106569237 FXRJDFUISBOYPZ-AVRDEDQJSA-N 381.495 3.605 0 40 GHAB CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1ccccc1F)S(C)(=O)=O 113967050 NBQDPMLYMKWPEA-KRWDZBQOSA-N 378.469 3.626 0 40 GHAB COc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 222565433 KUNBWNWUJMRNPU-IAGOWNOFSA-N 383.488 3.925 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC)c3ccccc3C)ccc21 223522344 NBSVTGSCQJAEIU-LJQANCHMSA-N 386.517 3.724 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c(C)c1 223673717 FNBBVFMQXJQANI-UHFFFAOYSA-N 388.489 3.548 0 40 GHAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 223684283 KECRFCCXWIQQOX-WOJBJXKFSA-N 398.532 3.534 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 223893574 VPVIZOYKMUOLQE-QZTJIDSGSA-N 382.570 3.791 0 40 GHAB CCCOCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1OC 224417532 PDQHNXPZCIKJBQ-UHFFFAOYSA-N 386.467 3.723 0 40 GHAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 224970886 GTEVPJMYJVFXFN-DLBZAZTESA-N 388.533 3.589 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225212393 DDOSPCIROOGIKK-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 225622297 NMIKWOKGSBLBFQ-OAQYLSRUSA-N 376.497 3.612 0 40 GHAB COc1ccccc1OC[C@@H](C)NC(=O)Cc1cccc(Br)c1 225623244 QNZLTDMTGKCERI-CYBMUJFWSA-N 378.266 3.584 0 40 GHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccccc3)ccc21 225705089 GWDIARMAORTLAQ-CYBMUJFWSA-N 376.503 3.683 0 40 GHAB O=C(Cn1cccn1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257231186 GFQMVAPPCSCIDF-SFHVURJKSA-N 384.867 3.869 0 40 GHAB Cc1nc[nH]c1CN(C)[C@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257343919 ZUYFKBVRSQSJGQ-LCNLMQJVSA-N 383.536 3.785 0 40 GHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 408624902 DIGKVDJMJFCBHY-UHFFFAOYSA-N 399.516 3.821 0 40 GHAB O=S(=O)(c1ccc2ccccc2c1)N1CCO[C@]2(CCc3ccccc32)C1 513020909 WCJNLNWVVZCRSN-JOCHJYFZSA-N 379.481 3.702 0 40 GHAB COc1ccc([C@H](NC(=O)Nc2ccc(-c3nncs3)cc2)C2CC2)cn1 529097237 YJXLSPVLKLSVNQ-QGZVFWFLSA-N 381.461 3.882 0 40 GHAB CC(C)C[C@H](N)c1noc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 563120839 HZTZAJXOULOEFF-SFHVURJKSA-N 389.459 3.541 0 40 GHAB O=C(N1CC2(C[C@H](OCc3ccccn3)CCO2)C1)C12CC3CC(CC(C3)C1)C2 575403786 JRYDZARDJWXIEL-RXXSEBCPSA-N 396.531 3.575 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575607366 BUEKYAAJLIHTFA-CYBMUJFWSA-N 397.262 3.867 0 40 GHAB O=S(=O)(c1cccc2ccccc12)N1CC[C@H](Oc2ccncc2Cl)C1 575610549 KOXFPKAYTDYRPG-HNNXBMFYSA-N 388.876 3.730 0 40 GHAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccccc1Cl 585111224 KEWCWYWKCUDDTE-IBGZPJMESA-N 381.863 3.629 0 40 GHAB C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)C1 623221096 HTDFYUNWYINKME-MFKMUULPSA-N 398.454 3.957 0 40 GHAB COc1ccccc1[C@@H](O)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 1135957563 KXEHPASGPXQKTM-GOSISDBHSA-N 382.441 3.681 0 40 GHAB CCN(Cc1ccc(OCCN2CCOCC2)cc1)c1ccc2[nH]ccc2c1 1659486058 YVAXLFJEXFYHMI-UHFFFAOYSA-N 379.504 3.905 0 40 GHAB FC(F)(F)c1csc(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)n1 2086988609 HDTYOHWMTKSKOL-UHFFFAOYSA-N 395.454 3.645 0 40 GHAB CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CS[C@@H]1c1cccc(Br)c1 819049 NTIKWEMNMJCFEY-VXGBXAGGSA-N 388.283 3.885 0 40 GHAB CCNC(=S)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCCC1 879370 BHECQKPAOMPAPY-UHFFFAOYSA-N 387.549 3.956 0 40 GHAB COc1ccccc1-c1nc2ccccc2c(=O)n1NC(=O)CCc1ccccc1 986407 QYMKZMSZPAOTKA-UHFFFAOYSA-N 399.450 3.775 0 40 GHAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C(C)C)cc2)n2nnnc2N1 1291804 DRWPYIUZTCAQBN-LJQANCHMSA-N 381.480 3.961 0 40 GHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc2c(c1)OCCO2 1332902 KRGBOWLYDILHSB-UHFFFAOYSA-N 393.424 3.964 0 40 GHAB Cc1cccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C[C@H]2C)c1 3411318 RVGFQERIAXVHRB-CQSZACIVSA-N 382.888 3.687 0 40 GHAB Cc1ccc(NC(=O)COC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)cc1 3414256 DSWBKNLIFSSREF-BUHFOSPRSA-N 389.455 3.993 0 40 GHAB Cc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 3609014 QZCNVTIHCKMGRQ-UHFFFAOYSA-N 376.338 3.612 0 40 GHAB COCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccco1 4161483 FQSAKYWVFWUITQ-UHFFFAOYSA-N 386.477 3.532 0 40 GHAB COc1ccc2nc(SCc3nc4ccc(Cl)cc4n3CCO)[nH]c2c1 4246941 AHAVXVYSIGLFGT-UHFFFAOYSA-N 388.880 3.859 0 40 GHAB O=C(Nc1ccc(Br)cc1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4373884 DZRWCTWMMJMPDM-CQSZACIVSA-N 392.228 3.515 0 40 GHAB CC(C)Oc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1 4377203 QNJJOIFIMOKAKY-UHFFFAOYSA-N 398.440 3.729 0 40 GHAB Cc1cccc(N2CCN(C(=O)CN3C(=O)c4cccc5cccc3c45)CC2)c1C 4941360 OJHCLJFMQVKLKU-UHFFFAOYSA-N 399.494 3.766 0 40 GHAB Cc1cc(NC(=O)c2ccncc2)c(=O)n(Cc2ccccc2Br)c1 5000893 LKNQUHOVVDYUFD-UHFFFAOYSA-N 398.260 3.615 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)Cn1cnc2sc(C)c(C)c2c1=O 5556701 OLOKMAQJXYTSBJ-UHFFFAOYSA-N 391.880 3.684 0 40 GHAB COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)NC3CC3)c3ccccc3n2)cc1 5889733 OBOLCYKQIFVAOI-CQSZACIVSA-N 390.439 3.734 0 40 GHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cccs1 6258492 XGRMZTALPMWBTF-UHFFFAOYSA-N 394.518 3.574 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COc2ccccc2)c1 6510883 DLNVOFYKVIMMQU-UHFFFAOYSA-N 396.468 3.529 0 40 GHAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 6650930 XMTHLPCPDHMNCQ-LGMDPLHJSA-N 388.489 3.524 0 40 GHAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)cc1 6891091 LIMMFPLTQWYTBY-UHFFFAOYSA-N 392.864 3.954 0 40 GHAB COc1cccc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c1 6976420 AVDGUKGFQGBOIX-UHFFFAOYSA-N 376.456 3.576 0 40 GHAB Cc1cccc2c(=O)[nH]c(CSc3nc4ccccc4c(=O)n3C(C)C)nc12 7244420 FQSLLQSTANZAJI-UHFFFAOYSA-N 392.484 3.815 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(F)c1 7552290 FMZYFYVJAIWTSV-SFHVURJKSA-N 385.464 3.608 0 40 GHAB CCN(CC)C(=O)[C@H](Sc1nnnn1-c1c(C)cccc1C)c1ccccc1 7798794 UBUSJKPSHUHCRQ-LJQANCHMSA-N 395.532 3.981 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(C)c(C)c3)CC2=O)c(C)c1 7881451 RXLLBWJBZBQNLE-LJQANCHMSA-N 379.456 3.699 0 40 GHAB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1 7971163 FSGSDAPEUBTYJR-UHFFFAOYSA-N 392.908 3.838 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2NC1=O 8014147 IYJPDCXKLURAIX-VIFPVBQESA-N 381.215 3.730 0 40 GHAB COc1ccc(NC(=O)c2ccc(NC(=O)CCc3cccnc3)cc2)cc1 8071140 NGHZDZUJDDFXTF-UHFFFAOYSA-N 375.428 3.914 0 40 GHAB COc1cccc(NC(=O)COc2ccc(NC(=O)c3ccccc3)cc2)c1 8120958 OFGBJODCZWPGDG-UHFFFAOYSA-N 376.412 3.965 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(C2CC2)nn1-c1ccccc1 8157298 PPCISSWJISGNKC-NRFANRHFSA-N 390.487 3.910 0 40 GHAB CC(C)c1ccc(OCC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 8349838 DUILJLLPKXIHOZ-QGZVFWFLSA-N 378.476 3.989 0 40 GHAB COc1ccc(/C=C\COC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 8622627 GRRDUNKIGVALCZ-ZCRLHDOISA-N 384.428 3.991 0 40 GHAB O=C(CSc1nnc(N2CCCC2)n1C1CC1)Nc1ccc(F)c(Cl)c1 8705552 ZHSXSUSVPLXKJG-UHFFFAOYSA-N 395.891 3.737 0 40 GHAB Cc1ccc(NC(=O)NCCS(=O)(=O)c2c(C)[nH]c3ccccc23)cc1C 8923915 WPGYQCMOJNJNQS-UHFFFAOYSA-N 385.489 3.689 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)SC1CCCCC1 8985532 FKVDAKVOUVCTIN-CQSZACIVSA-N 384.567 3.638 0 40 GHAB Cc1cccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(F)cc2)c1C 9237693 ZSSDXDXWRCEOAU-ROUUACIJSA-N 397.479 3.740 0 40 GHAB COc1ccc(N2C[C@@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)cc1OC 9318220 ZVZYVYIVAUWKSM-ZDUSSCGKSA-N 399.834 3.928 0 40 GHAB Cc1ccccc1-n1nnc(-c2nc(-c3ccc(Br)cc3)no2)c1N 10273080 DLDPLKXIYNECLH-UHFFFAOYSA-N 397.236 3.637 0 40 GHAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)Cn2nc(C)c(C)c2C)cc1 12366628 UIAMEQAMHBNZPP-MQFRRQCYSA-N 381.520 3.906 0 40 GHAB O=C(Nc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C1CC1 12536249 PYUZDKZHRXBYQQ-UHFFFAOYSA-N 384.379 3.855 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ncccc2C)cc1 12536933 OOCALOOOVHZMNX-UHFFFAOYSA-N 395.484 3.858 0 40 GHAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(OCC(N)=O)cc3)ccc21 12553888 HJMUFKPTMJHDRM-UHFFFAOYSA-N 387.439 3.931 0 40 GHAB CN(C(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)C1CCCCC1 12737308 HGTDXDBGDBTEHJ-UHFFFAOYSA-N 386.521 3.556 0 40 GHAB COC(=O)C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1cccs1 12861078 UQVDIKMISDJJNA-LBPRGKRZSA-N 388.272 3.854 0 40 GHAB O=C(OCc1ccccc1C(F)(F)F)c1cccc(N2CCCS2(=O)=O)c1 12890934 KDXCGENFUHCLPX-UHFFFAOYSA-N 399.390 3.602 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 12977988 VAXAMYLEHUJOJY-UHFFFAOYSA-N 397.519 3.696 0 40 GHAB CNC(=O)c1ccc(CN(C)C(=O)c2cc3c(C)nn(CC(C)C)c3s2)cc1 12999603 FWQMKPCFBGCNEE-UHFFFAOYSA-N 398.532 3.694 0 40 GHAB Cc1nc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)nn1-c1ccc(F)cc1 13021216 ZGERQDVNHKMPGB-NSHDSACASA-N 390.365 3.807 0 40 GHAB C[C@H]1CN(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)O1 13133962 QJIQFHNUNAUHQZ-VWKPWSFCSA-N 391.458 3.541 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(C(C)=O)s2)c1C 14198665 LUNXUCRWXNGERJ-GFCCVEGCSA-N 391.445 3.501 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC=CCC1 14864637 GVYSAJHTPWAHNC-MRXNPFEDSA-N 392.521 3.555 0 40 GHAB C[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(-c2ccccc2)cc1 15019969 QEFQIIAVIXNLAS-QGZVFWFLSA-N 383.451 3.941 0 40 GHAB Cc1nc2ccccc2nc1-c1nnc(-c2ccc(O[C@@H](C)C(=O)O)cc2)s1 16265703 VAPXFJOWIKSQSQ-LBPRGKRZSA-N 392.440 3.976 0 40 GHAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 16806681 LXUQZBVFWYGMAM-UHFFFAOYSA-N 388.276 3.528 0 40 GHAB CCOC(=O)N1CCC(NC(=O)COc2ccc(Nc3ccccc3)cc2)CC1 17819495 WWRSUZFFHWLGSL-UHFFFAOYSA-N 397.475 3.546 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)c1cccc(C)c1OC)Cc1ccccc1O2 19235859 ABOLKKVRENWCAQ-UHFFFAOYSA-N 394.515 3.939 0 40 GHAB O=C(N[C@H](Cc1ccsc1)c1cccnc1)[C@H]1CSC(c2ccncc2)=N1 19338029 NRRSFCKSSPZGQV-QZTJIDSGSA-N 394.525 3.500 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)[C@@H](c3ccccc3)N3CCCC[C@@H]3C)cc2NC1=O 19496325 LDIYXNVMTYBEDU-CKJXQJPGSA-N 393.487 3.960 0 40 GHAB Cc1cccc(CN(Cc2ccccc2)C(=O)c2cc(-c3cnn(C)c3)no2)n1 19664700 YKWLEUFOGOEKTF-UHFFFAOYSA-N 387.443 3.621 0 40 GHAB CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC1CCCCC1 19696471 ICIVIXOUFLOCGC-QHCPKHFHSA-N 395.503 3.714 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(C4CCCCC4)s3)CC2=O)cc1 20367544 JOTGEUOFNMSJQL-HNNXBMFYSA-N 384.505 3.886 0 40 GHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1-n1cnnn1 20717913 DUELOHGTFYSTTH-UHFFFAOYSA-N 385.708 3.726 0 40 GHAB CCOc1cccc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1 22380618 RSBQIVOVBMSNQF-UHFFFAOYSA-N 398.484 3.643 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(CCc2ccccc2)CC1 22934239 GDFHTFZJGRODCF-SFHVURJKSA-N 385.939 3.836 0 40 GHAB CN1CCN(CC[C@H]2CCCCN2C(=S)Nc2ccccc2Cl)CC1 22935551 QXZMQQYYJKOGFS-MRXNPFEDSA-N 380.989 3.529 0 40 GHAB O=C(Cn1cccc(C(F)(F)F)c1=O)NCCC12CC3CC(CC(C3)C1)C2 24625691 AZXBYKIOGLBCCT-UHFFFAOYSA-N 382.426 3.590 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CN[C@H](C)c2ccccc2Cl)c(C)c1 25058656 HWORHVSDMRWJOS-MRXNPFEDSA-N 387.911 3.671 0 40 GHAB COc1ccc(CC(=O)NC2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)cc1 27698528 VJCSWSBBCUQLAP-FRIKZZABSA-N 378.516 3.592 0 40 GHAB COC(=O)C1=C(C)N(CC(F)(F)F)C(=O)N[C@@H]1c1ccccc1C(F)(F)F 30552716 ITYKHOBEPLCIKF-GFCCVEGCSA-N 396.287 3.781 0 40 GHAB O=C(C1CCCC1)N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 31193331 RRDUMNDGSIFXBX-UHFFFAOYSA-N 390.483 3.785 0 40 GHAB CC(C)N1C[C@H](CCN2CCOCC2)[C@](c2ccccc2)(C2CCCC2)C1=O 31761570 SOQCWIZPIOMVMH-UPVQGACJSA-N 384.564 3.704 0 40 GHAB CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(F)c2)c2cc(C)ccc21 32092808 ABCHXCOZFQCHCJ-QFIPXVFZSA-N 390.418 3.964 0 40 GHAB Cc1nc2c(-c3cccs3)nc(=O)n(CC(=O)N(C)c3ccccc3)c2s1 32616551 QBQKLFSMCQGJHW-UHFFFAOYSA-N 396.497 3.553 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1ccc(Br)s1 37132506 WCIJPJZSBRLIRF-ZUZCIYMTSA-N 382.279 3.698 0 40 GHAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 37866371 STYZESLYMQLMDW-HXUWFJFHSA-N 384.391 3.946 0 40 GHAB aggregator Cc1ccc(CNC(=O)c2nnc(CN[C@@H](C)c3cccc(F)c3)s2)cc1 40061572 OFUZJRFUBQZZNJ-AWEZNQCLSA-N 384.480 3.766 0 40 GHAB O=C(COc1ccc(F)cc1)NCc1cccc(C(=O)Nc2ccccc2)c1 40106734 LBXFRYSLJVSKMY-UHFFFAOYSA-N 378.403 3.773 0 40 GHAB O=C(COc1ccc(C(F)(F)F)cc1)NCc1ccc(CN2CCCC2)cc1 40144350 KXFNKICFFSOURB-UHFFFAOYSA-N 392.421 3.996 0 40 GHAB Cc1nc(C)c(-c2nnc(NC(=O)COc3ccc(Cl)c(C)c3)o2)s1 41097856 BRFNRZKILPUVKQ-UHFFFAOYSA-N 378.841 3.789 0 40 GHAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NC[C@H]1CCCO1 42864414 KQDCAGMUSHMYGJ-OXJNMPFZSA-N 381.476 3.820 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)cc1 44945970 PEVMURZIMUTVBD-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB C[C@H](NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 45624949 OQHXXBKCZUEUIO-NWDGAFQWSA-N 397.363 3.950 0 40 GHAB O=C(N[C@H]1CCCN(c2ncccn2)C1)c1ccc(-c2ccc(F)cc2)s1 46424277 XFDHAXOBINBWPE-INIZCTEOSA-N 382.464 3.743 0 40 GHAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 47699054 QNRRHAAJMCUBLI-UHFFFAOYSA-N 389.521 3.556 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)NCc2ccoc2)cc1 47825354 DAXVSFRGYQONHZ-UHFFFAOYSA-N 399.472 3.817 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccc(C)cc2C)c(-c2cccc(F)c2)n1 57508183 OFCRHUBIARLWOX-UHFFFAOYSA-N 379.435 3.867 0 40 GHAB COc1cccc(/C=C/C(=O)OCc2c(Cl)nc3sccn23)c1OC 58368479 GYXAIDWJMJXBOP-VOTSOKGWSA-N 378.837 3.823 0 40 GHAB CN(C)c1cccc(CNC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 67413794 IINWPJSKIPIQJP-LJQANCHMSA-N 391.874 3.828 0 40 GHAB COc1ccc2c(ccn2CC(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c1 68004398 FRELICFENUIGKT-NRFANRHFSA-N 388.471 3.900 0 40 GHAB COCC(=O)N1CCCCC[C@H]1C1CCN(c2nc3ccccc3s2)CC1 69737659 VITSBBMDXWSBGB-SFHVURJKSA-N 387.549 3.930 0 40 GHAB COC(=O)c1cc(NC(=S)Nc2cccc(F)c2C)cc(C(=O)OC)c1 71760533 XVYSKDDQQXYFPD-UHFFFAOYSA-N 376.409 3.516 0 40 GHAB COC(=O)[C@H]1CCCN1c1ccc(NCc2cc3cccc(C)c3[nH]c2=O)cc1 72396099 RDKBTRYOGMTVLK-HXUWFJFHSA-N 391.471 3.590 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1C(F)(F)F 79307595 IIACZQMDEHGBMR-WMLDXEAASA-N 377.366 3.567 0 40 GHAB COc1cc(CNc2cc(-c3cccs3)nn2CCO)cc(Cl)c1OC 83921344 DKGNPTRECKFICE-UHFFFAOYSA-N 393.896 3.887 0 40 GHAB COc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(C(C)C)c2)cc1OC 84625255 GZLNYCBIRCMYDS-UHFFFAOYSA-N 391.489 3.630 0 40 GHAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc4c(c3)CCCC(=O)N4)nc2C1 84673768 XFKVMUKDXFKOLE-UHFFFAOYSA-N 383.473 3.825 0 40 GHAB COc1ccccc1NC(=O)c1ccc(NC(=O)CNCc2ccccc2)cc1 89481766 BZNHDNWASQDZPZ-UHFFFAOYSA-N 389.455 3.676 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@@H]1CCc2nnc(C)n2C1 89562745 UYMPOQJMAMLZCJ-IAQYHMDHSA-N 399.495 3.597 0 40 GHAB C[C@H](OC(=O)C[C@@H]1CSCCS1)C(=O)Nc1ccc2ccccc2c1 95443959 GCJOAYNVTIFFSI-SUMWQHHRSA-N 375.515 3.949 0 40 GHAB COc1ccc(-n2ccc(C(=O)Nc3csc(-c4ccccn4)n3)n2)cc1 95467369 XNOGMRBZLYDXES-UHFFFAOYSA-N 377.429 3.652 0 40 GHAB COc1ccc(NC(=O)[C@H](OC(=O)c2cncc(F)c2)c2ccccc2)cc1 95965754 VHLFLCAVCZIBHZ-LJQANCHMSA-N 380.375 3.766 0 40 GHAB Cn1cc([C@H](CO)Nc2ncnc3cc(-c4ccc(Cl)cc4)sc23)cn1 95975509 BHEFKOATGVVQTK-HNNXBMFYSA-N 385.880 3.891 0 40 GHAB Cc1ccc(-c2noc(CCCn3ccc(C(=O)OC(C)C)cc3=O)n2)cc1F 95980767 CROBRNKXYWFJRG-UHFFFAOYSA-N 399.422 3.544 0 40 GHAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(Oc2ccccn2)CC1 96096845 MJKJXTBHXLLKRF-UHFFFAOYSA-N 386.451 3.996 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96102817 BBXLNDXUUCXTAV-CQSZACIVSA-N 383.473 3.972 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)cc1C 103716883 SBMCWDHTTQXGQL-SFHVURJKSA-N 394.471 3.860 0 40 GHAB C[C@@H](NC(=O)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1)c1ccco1 105779635 ZSKUXAWCBNYSOL-QGZVFWFLSA-N 382.423 3.751 0 40 GHAB CCc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 165726382 PYZSCBIGNBCTDN-SNHGZMDHSA-N 386.451 3.813 0 40 GHAB Clc1cccc(-c2nnc(-c3cc4c(N5CCOCC5)ncnc4s3)o2)c1 216608446 HUHXTROKOAHJDO-UHFFFAOYSA-N 399.863 3.898 0 40 GHAB CC[C@H](NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1)c1ccc(C)c(C)c1 222464984 YSNMVMFQFPIRDA-IBGZPJMESA-N 388.533 3.889 0 40 GHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 223282970 PBVQOIQIKOCRSG-LEWJYISDSA-N 392.528 3.876 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 224702029 ZZAPYBQERIDSIN-IBGZPJMESA-N 382.504 3.626 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC)c3ccc(C)cc3)ccc21 225395759 XBIJGRZFTABUCG-IBGZPJMESA-N 386.517 3.724 0 40 GHAB CC[C@H](NC(=S)Nc1c(F)cccc1F)c1ccc(S(C)(=O)=O)cc1 225724316 PWUFVWJLAOWBMR-HNNXBMFYSA-N 384.473 3.806 0 40 GHAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)NC1CCCCCCC1 225731387 HRAOOLPCHDHGOX-UHFFFAOYSA-N 391.309 3.993 0 40 GHAB Cc1ccc(-c2noc(CNC(=O)COc3cccc(C(F)(F)F)c3)n2)cc1 225814978 FCVKIQZTORHIHH-UHFFFAOYSA-N 391.349 3.759 0 40 GHAB CC(=O)N[C@@H]1C[C@H](c2ccc(N3CCCCC3)cc2C)OC2(CCOCC2)C1 257303141 SFZADKSTHXMFEE-DENIHFKCSA-N 386.536 3.891 0 40 GHAB Cc1nc(-c2nccn2C)cc([C@@H]2CCCCN2C(=O)c2ccccc2F)n1 257312199 UMVQCYRUQQJEJR-IBGZPJMESA-N 379.439 3.692 0 40 GHAB CC[C@H](C(=O)N[C@H](C)C(C)C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 260905660 RKVRRQDSGZSJDK-IAQYHMDHSA-N 395.352 3.699 0 40 GHAB Cc1cc(O[C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)nc(C)n1 575609737 OQXRHMMWEIPKEU-AWEZNQCLSA-N 379.382 3.796 0 40 GHAB CC[C@@H]1NCC[C@@H]1C(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 581426222 KBZAHSRFOIUCDN-VWPQPMDRSA-N 391.515 3.813 0 40 GHAB O=C([C@H](c1ccccc1)N1CCO[C@@H](c2ccccc2F)C1)N1CCCCC1 589598855 IZLZVDSGABIASR-YADHBBJMSA-N 382.479 3.953 0 40 GHAB CN1CCN(C2=NCCCCCCOc3ccccc3Oc3ncccc32)CC1 1615141277 JSDBJFQVYNISHF-UHFFFAOYSA-N 394.519 3.821 0 40 GHAB CN(C)C1(CNc2nc(C(F)(F)F)nc3cc4c(cc23)OCO4)CCCC1 1615566491 DTVYEDALXSAPLA-UHFFFAOYSA-N 382.386 3.664 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H](COc2ncccn2)C1 1775970468 NQVYLARIPQPPFI-CYBMUJFWSA-N 380.370 3.818 0 40 GHAB CC(C)CNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 660129 JYSYNLWIKBDJKV-JOCHJYFZSA-N 382.529 3.889 0 40 GHAB COCc1cc(C)nc2sc3c(=O)n(-c4cccc5ccccc45)nnc3c12 717065 AVINAHVOVUSDDE-UHFFFAOYSA-N 388.452 3.998 0 40 GHAB COc1ccc(CC(=O)Nc2nnc(CCc3ccccc3)s2)cc1OC 815473 NNLKKTJKIOAHTK-UHFFFAOYSA-N 383.473 3.522 0 40 GHAB CC(C)(C)OC(=O)N1[C@H](c2cccc(Br)c2)SC[C@H]1C(=O)O 819050 NTIKWEMNMJCFEY-RYUDHWBXSA-N 388.283 3.885 0 40 GHAB COc1ccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)cc1 1030565 SVIDKIMECIRLJE-UHFFFAOYSA-N 398.374 3.664 0 40 GHAB COc1cc(-c2nnc(S)n2-c2ccccc2Cl)cc(OC)c1OC 2335439 TUXOZLJEVBAXLK-UHFFFAOYSA-N 377.853 3.902 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)c1 2394527 SSMKVIBYVWJCGF-UHFFFAOYSA-N 387.530 3.959 0 40 GHAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[n+]1ccccc1 2557703 YYRBCDGAYFJFNQ-UHFFFAOYSA-O 377.251 3.674 0 40 GHAB COc1ccc(-c2cc(C(=O)OCC(=O)NC(C)C)c3ccccc3n2)cc1 2627148 DIRRMYFWNDLMPA-UHFFFAOYSA-N 378.428 3.592 0 40 GHAB Cc1nn(C)cc1CN(C)C(=O)c1ccccc1COc1ccc(F)cc1F 2788486 MVVDFJLTMFPZLG-UHFFFAOYSA-N 385.414 3.858 0 40 GHAB Cc1sc2ncnc(OCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)c2c1C 3332499 DSHYIEOKZKTLGC-UHFFFAOYSA-N 393.371 3.647 0 40 GHAB O=C1OCC[C@@H]1Sc1nnc(-c2ccccc2F)n1CCc1ccccc1 3365117 ARFVKICFQMLPBM-KRWDZBQOSA-N 383.448 3.735 0 40 GHAB COc1ccc(C(=O)COC(=O)Cc2c(Cl)cccc2Cl)c(OC)c1 3488704 SXDCADBOHHRZGG-UHFFFAOYSA-N 383.227 3.979 0 40 GHAB CCOc1ccc(N2C(=S)N[C@@H]3C[C@@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 4372259 RIGXCOUCFPVWMD-DYESRHJHSA-N 398.484 3.806 0 40 GHAB CCN1C(=O)[C@](O)([C@H](C)C(=O)c2ccccc2)c2cc(Br)ccc21 4555019 NUPZOGKSSPUIHM-BLVKFPJESA-N 388.261 3.522 0 40 GHAB O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1C1CCCC1)Nc1ccccc1 4738706 AOMJCIIRGYZFTL-IBGZPJMESA-N 395.434 3.934 0 40 GHAB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(C)cc3)C[C@H]21 4862919 VNFGRVKZTKMKQK-HXUWFJFHSA-N 377.488 3.969 0 40 GHAB CCn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2c3c(sc21)COC(C)(C)C3 5024663 NSTXWXOASQKEEU-UHFFFAOYSA-N 390.892 3.739 0 40 GHAB CC(C)Oc1cccc(-c2nnc3n2N=C(c2ccc4c(c2)OCO4)CS3)c1 5119208 LOSFOMYBNUOWMZ-UHFFFAOYSA-N 394.456 3.819 0 40 GHAB CCOc1ccc(-c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)nn1 5267483 WURGEIBJBLQQKK-UHFFFAOYSA-N 379.416 3.812 0 40 GHAB COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O 5329388 QOQZRPWLCKOQGF-UHFFFAOYSA-N 396.468 3.776 0 40 GHAB O=C(O)/C(=C\c1cc2c(cc1Cl)OCO2)NC(=O)c1ccccc1Cl 5636629 AIXQIVHPVNFVHF-WLRTZDKTSA-N 380.183 3.578 0 40 GHAB C[C@H](NC[C@H](O)COc1c(F)cc(Br)cc1F)c1ccccc1 6007596 PLLQKDLCQSSRKO-FZMZJTMJSA-N 386.236 3.818 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(COC(=O)C23CC4CC(CC(C4)C2)C3)n1 6038765 FXWMAALELBNJFS-UHFFFAOYSA-N 393.491 3.765 0 40 GHAB C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(-n2cncn2)cc1 6540970 YONOGKVOXNVUGV-GFCCVEGCSA-N 375.259 3.994 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc2c(s1)CCCC2 6552814 NGVWIVQWVWBFMW-UHFFFAOYSA-N 392.908 4.000 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 6624139 YEGSWDGAULXLSV-HNNXBMFYSA-N 397.471 3.652 0 40 GHAB biogenic COc1ccc([C@H](CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)N(C)C)cc1OC 6663223 MVSSKGLUYWOCKJ-FQEVSTJZSA-N 395.503 3.835 0 40 GHAB Cc1cc(NC(=S)NC(=O)CC(C)C)c(C)cc1I 6961443 GYBYSSRJOZPWRM-UHFFFAOYSA-N 390.290 3.767 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 7882389 HSQUYUAZDXBJPI-GOSISDBHSA-N 394.471 3.862 0 40 GHAB C[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc2c(c1)CCCC2 7938516 JHLWAYSWJSEBOJ-CYBMUJFWSA-N 378.394 3.623 0 40 GHAB CCCCN(C(=O)Nc1cc(C(=O)OCC)c(C)nc1C)C1CCN(C)CC1 8338035 FPVLMVXQWFUTLQ-UHFFFAOYSA-N 390.528 3.603 0 40 GHAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3nc(C)c(C)s3)n2C)c1 8365528 FRSCNFNPXJLYEM-ZDUSSCGKSA-N 387.534 3.983 0 40 GHAB CCn1nnc2cc(C(=O)N(C)Cc3c(C)nn(-c4ccccc4)c3C)ccc21 8404416 JTOFXAUNCFVGJP-UHFFFAOYSA-N 388.475 3.526 0 40 GHAB CN(Cc1ccsc1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 8428121 NPNOBGXMWWAHMR-UHFFFAOYSA-N 389.480 3.779 0 40 GHAB Cc1nc(-c2ccccc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C(C)(C)C)n1 8623054 SFNXTXRSQYCFIC-ZCNNSNEGSA-N 392.547 3.792 0 40 GHAB biogenic,in-vitro CN(Cc1ccccc1N1CCCC1)C(=O)C[C@H]1Sc2ccccc2NC1=O 9157805 BTNFMBPZEHKKTP-HXUWFJFHSA-N 395.528 3.748 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 11903126 BMECOXSAKGBUBT-UHFFFAOYSA-N 382.489 3.918 0 40 GHAB COc1ccccc1[C@@]1(O)CCCN(C(=O)c2[nH]nc(-c3ccccc3)c2C)C1 12147529 AJRJHXYMMJESFG-HSZRJFAPSA-N 391.471 3.518 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12326163 IFTZFXUWUKNDLY-LJQANCHMSA-N 397.494 3.525 0 40 GHAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2N2CCCC2)cc1 12528171 LXJVQVQBUSJKBD-UHFFFAOYSA-N 383.517 3.906 0 40 GHAB Cc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c(O)c1 12777020 NSMIWYSKWMGLQM-UHFFFAOYSA-N 377.444 3.779 0 40 GHAB CC(C)CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12782296 OFQGFAVCPLMXLB-MRXNPFEDSA-N 398.544 3.557 0 40 GHAB Cc1c(NC(=O)/C=C/c2ccc(F)c(Cl)c2)c(=O)n(-c2ccccc2)n1C 12792439 UNCYWPZAPZQQEU-PKNBQFBNSA-N 385.826 3.929 0 40 GHAB COc1cccc([C@@H](CNC(=O)CCc2nc3ccccc3s2)N(C)C)c1 12935357 CFNBKORQTDEGHL-GOSISDBHSA-N 383.517 3.657 0 40 GHAB O=S(=O)(N[C@H]1CCSc2ccccc21)c1ccccc1Br 12993381 DFBJEFJJAGCHKV-ZDUSSCGKSA-N 384.320 3.965 0 40 GHAB O=C(CCCNC(=O)c1cccs1)NCc1ccc(-c2ccc(F)cc2)o1 13012475 NVUPHPUIKAEESU-UHFFFAOYSA-N 386.448 3.974 0 40 GHAB CC(=O)N[C@]1(CC(=O)c2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21 13628388 LBVLJKMTNGJQNN-VWLOTQADSA-N 398.462 3.838 0 40 GHAB COc1cc2nc(CN(C)Cc3ccc(C(C)(C)C)cc3)[nH]c(=O)c2cc1OC 13683059 ZMFSVNVHOOMOMM-UHFFFAOYSA-N 395.503 3.870 0 40 GHAB COc1ccccc1N1CCn2c(nc3cc(NC(=O)c4cccnc4)ccc32)C1 13691905 BVJNXQGBXRROGK-UHFFFAOYSA-N 399.454 3.712 0 40 GHAB O=S(=O)(NCc1ccc(COCC(F)(F)F)cc1)c1ccc2c(c1)CCC2 14099696 XESWYSRTETVTRB-UHFFFAOYSA-N 399.434 3.733 0 40 GHAB C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C12CC3CC(CC(C3)C1)C2 14106924 BVTDRYOUNIVIHA-UHSVVUDUSA-N 382.426 3.588 0 40 GHAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1C(=O)NC2(CCCCC2)C1=O 14230613 UAROZSNHGSDYLZ-MRXNPFEDSA-N 391.471 3.935 0 40 GHAB COc1ccc(CN(C)C(=O)c2cccc(I)c2)cc1 14820119 UUNOPDHNKMFAIW-UHFFFAOYSA-N 381.213 3.572 0 40 GHAB C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccccc2)nc2sccc2c1=O 15517152 OJLIXTBQOAUQLA-CQSZACIVSA-N 399.541 3.783 0 40 GHAB COc1ccc(Br)cc1-c1nc(COC(=O)[C@@H]2CCCO2)cs1 16655084 NONZHMWJVKEFGS-AWEZNQCLSA-N 398.278 3.803 0 40 GHAB Cc1nn(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(=S)n1-n1cccc1 16777854 JCBZGEOEWHCAOS-UHFFFAOYSA-N 382.276 3.781 0 40 GHAB COc1ccc(C(=O)OCc2cc(-c3ccc(F)cc3F)on2)c(OC)c1 16944589 YOZUASRLXHDERG-UHFFFAOYSA-N 375.327 3.994 0 40 GHAB Cc1ccc2[nH]cc(C(=O)CN3CCC(O)(Cn4ccnc4C(C)C)CC3)c2c1 19220523 GCQLXRXSTSGRAU-UHFFFAOYSA-N 394.519 3.506 0 40 GHAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc4c(c3)OCCCO4)o2)cc1 19352611 HIXWHJKPQYJNOU-ZDUSSCGKSA-N 396.399 3.825 0 40 GHAB COc1ccc(CN2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1OC(C)C 19450489 SFEDVNZBNKFRSO-QGZVFWFLSA-N 395.507 3.539 0 40 GHAB CCCC(=O)N1CCN(C)C(=O)[C@H](Cc2cccc(-c3cccc(OC)c3)c2)C1 19501436 FSAOGJCCMWPCIX-OAQYLSRUSA-N 394.515 3.622 0 40 GHAB Cc1nc2sc3c(c2c2nc(COc4ccccc4Cl)nn12)CCN(C)C3 20567320 OECXLDNKUJRHRN-UHFFFAOYSA-N 399.907 3.868 0 40 GHAB Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccccc3O)[nH]c(=O)c2c1C 22024216 UOQFNYOZXCEYRL-NSHDSACASA-N 389.502 3.567 0 40 GHAB O=C(Cc1ccc2ccccc2c1)NC[C@@H](c1cccs1)N1CCOCC1 22465230 NDHNUNKHQNVATH-FQEVSTJZSA-N 380.513 3.634 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1 23762463 RQKZBVGKQUVMJK-UHFFFAOYSA-N 384.545 3.984 0 40 GHAB Cc1cc(=O)c(C(=O)NC2C3CC4CC(C3)CC2C4)nn1-c1ccc(Cl)cc1 24106937 XWUYZJYDNSIMSI-UHFFFAOYSA-N 397.906 3.749 0 40 GHAB Cc1ccc(Oc2ccc(NC(=O)Cn3nc4n(c3=O)CCCCC4)cc2)cc1 24979550 LTPNFQREFCYBSS-UHFFFAOYSA-N 392.459 3.511 0 40 GHAB O=C(CN1C(=O)CSc2ccccc21)Nc1cccc(Br)c1 28091876 HVOPYDNNYRULJW-UHFFFAOYSA-N 377.263 3.527 0 40 GHAB CSCC[C@H](NC(=O)c1cc(-c2ccco2)n[nH]1)c1nc2ccccc2[nH]1 28509164 WJPNJRRWJRGLBY-AWEZNQCLSA-N 381.461 3.770 0 40 GHAB COc1cc(CNCc2ccccc2OCc2cccnc2)cc(OC)c1OC 30545887 YONZLLDXZYURCT-UHFFFAOYSA-N 394.471 3.976 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nc2ncccc2c1=O 31614390 GLOCETYACKYGCK-UHFFFAOYSA-N 388.880 3.504 0 40 GHAB O=C(NCc1ccccc1Cl)c1nc(-c2ccc(Cn3ccnc3)cc2)no1 31808638 GCCNDINYHXIONS-UHFFFAOYSA-N 393.834 3.565 0 40 GHAB COC(=O)c1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1 32104368 FVOWGGBXGSJRRO-ZDUSSCGKSA-N 397.822 3.534 0 40 GHAB O=C(COc1cccc2c1CCC[C@H]2O)Nc1ccc(OC(F)(F)F)cc1 32691397 FMUDPLCRCRJMCE-MRXNPFEDSA-N 381.350 3.972 0 40 GHAB Cc1cc(NC(=O)CN(C)C(=O)[C@@H](Sc2ccccc2)c2ccccc2)no1 32841902 KPYYNEZGRDIRLB-FQEVSTJZSA-N 395.484 3.914 0 40 GHAB COc1ccc(NC(=O)[C@H](C)N2CCC(OCc3ccccc3)CC2)cc1OC 32851176 NTCFXLSWAJPUSC-KRWDZBQOSA-N 398.503 3.712 0 40 GHAB Cc1ccc2c(c1)cc(CN(Cc1ccccc1)C(=O)C1CCC1)c1nnnn12 35316034 XEVSYQNEUQCMIW-UHFFFAOYSA-N 385.471 3.915 0 40 GHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 36447627 HKIWCNFMFZAPCA-FQEVSTJZSA-N 393.531 3.580 0 40 GHAB Nc1nn(CC(=O)c2cccc(C(F)(F)F)c2)c(=S)n1Nc1cccs1 36625634 ZHKGLPZROTYEIB-UHFFFAOYSA-N 399.423 3.835 0 40 GHAB C[C@H]1CCCC[C@H]1n1ccc2nc3ncnn3c(-c3ccc(F)cc3)c2c1=O 40398303 KLIWHYQEDZDSGH-SUMWQHHRSA-N 377.423 3.997 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)c(Br)c1 42646417 SGYUQGUKAFAHJG-UHFFFAOYSA-N 395.684 3.708 0 40 GHAB COCc1ccccc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 44549995 OXROIGMKLIZTMU-UHFFFAOYSA-N 376.416 3.935 0 40 GHAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O 44840183 QNJZQMRTWDRUMF-CQSZACIVSA-N 399.878 3.735 0 40 GHAB CCOC(=O)c1c(NCc2ccccc2OC)c2cccc(Cl)c2[nH]c1=O 49001495 KDUYBFUNHUSWSU-UHFFFAOYSA-N 386.835 3.979 0 40 GHAB COc1ccccc1CCN1CCOc2nc3c(OC)ccc(OC)c3cc2C1 57719003 PZUWYBSJHPKEHS-UHFFFAOYSA-N 394.471 3.698 0 40 GHAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 58228505 FFHDRCIGGFFDDY-UHFFFAOYSA-N 378.823 3.872 0 40 GHAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2S(=O)(=O)CC)c1 59307520 OMIJDADQNOUAGH-UHFFFAOYSA-N 394.880 3.734 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 72354877 SUMMFQHNFDLENX-HNNXBMFYSA-N 383.452 3.607 0 40 GHAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)c3scnc3C)n2)n1 72375369 UYTFJXZSAUPZED-INIZCTEOSA-N 394.504 3.974 0 40 GHAB Cc1ccc(S(=O)(=O)NCCc2nc3ccccc3n2C(F)F)cc1Cl 79017739 RNEWORAFZKZOSR-UHFFFAOYSA-N 399.850 3.914 0 40 GHAB Cc1ccc(Cl)cc1N1C(=O)C[C@H](NNc2nc3ccccc3s2)C1=O 95101427 GZGPLQOTKYXHTJ-ZDUSSCGKSA-N 386.864 3.507 0 40 GHAB CCOC(=O)CC[C@H](C)Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl 95444779 XAVJVEYSWVAQNM-NSHDSACASA-N 384.263 3.683 0 40 GHAB O=C(Nc1c[nH]nc1[C@H]1CCCN(c2nc(C3CC3)ns2)C1)C1CCCC1 95999558 VKHAHNLSJUOADE-AWEZNQCLSA-N 386.525 3.651 0 40 GHAB O=S(=O)(Cc1cccc(F)c1)NCc1nn(C2CCCC2)c2c1CCCC2 96099248 KVZCUZPSUICFBC-UHFFFAOYSA-N 391.512 3.636 0 40 GHAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)NCC(C)C)CC2 96145007 LWNWDZAWROLHIO-UHFFFAOYSA-N 395.551 3.542 0 40 GHAB Cn1cnc(-c2ccc(NCc3csc(-c4ccc5c(c4)OCO5)n3)cc2)n1 97162142 UCPGBMOKRHWOPA-UHFFFAOYSA-N 391.456 3.946 0 40 GHAB O=C(O)COc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 101262051 ABUCYUCRHBTIDC-UZSUTJNESA-N 389.498 3.552 0 40 GHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@H]1[C@H]4c5ccccc5[C@H]1C[C@H]43)C2 104293735 JVGVRUMDARERFS-DQWWWAKVSA-N 377.488 3.579 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222512172 KWAAHCJLRQJYRH-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(OC)cc1 223134062 WKIMSPIBHHODCQ-LJQANCHMSA-N 396.531 3.880 0 40 GHAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 224159896 RPCKWCDQXWAOBQ-PMACEKPBSA-N 378.501 3.707 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 225008796 OGCRIBNDHQVOQJ-RTBURBONSA-N 382.504 3.706 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cccc(Cl)c1 225408791 FHYVWLVKYPXDOU-ZDUSSCGKSA-N 395.286 3.536 0 40 GHAB CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCc3ccccc3C2)n1 225879802 FZZRXRJPRBYFRG-UHFFFAOYSA-N 391.500 3.748 0 40 GHAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 245026692 NGVIPEXSSHYSRO-WQVCFCJDSA-N 391.817 3.744 0 40 GHAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccncc4)o3)CC2)on1 257279834 OIJPJDLICJFEBM-SHTZXODSSA-N 395.463 3.947 0 40 GHAB CO[C@@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@]12CCCO2 257300657 RVFCIHDRPAJQOS-FYYLOGMGSA-N 396.487 3.687 0 40 GHAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cccc(O)n3)o2)c1 257304465 SLUKDGOBFOTDLO-IBGZPJMESA-N 393.443 3.742 0 40 GHAB CCCC(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(=O)NCC)CC1 257338505 YXTCQFLBODQYFC-UHFFFAOYSA-N 393.531 3.836 0 40 GHAB Cc1cc(O)nc(SCC(=O)Nc2cc(C)c(C)cc2Br)n1 408545233 WVXOIPASZZFGOJ-UHFFFAOYSA-N 382.283 3.601 0 40 GHAB C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCCC1 408736309 AIUOODAILIWIOW-VQIMIIECSA-N 390.524 3.934 0 40 GHAB O[C@@H](CN[C@H]1CCOC2(CCSCC2)C1)Cc1ccc(C(F)(F)F)cc1 515638087 QELZJORVHYHCPQ-DLBZAZTESA-N 389.483 3.643 0 40 GHAB O=C(Cc1ccc(Cl)cc1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111328 OOPUAEZBFRQHIZ-FQEVSTJZSA-N 395.890 3.558 0 40 GHAB CN=c1[nH]c([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)c2sccn12 585182417 PNZQZLNRALTBIG-QGZVFWFLSA-N 393.516 3.637 0 40 GHAB NC(=O)[C@@]1(c2ccccn2)CCCN1Cc1ccccc1OCc1ccccc1 585261914 RULKQWHENNVJTG-DEOSSOPVSA-N 387.483 3.637 0 40 GHAB O=C(N[C@H](CCc1ccccc1)C(F)F)c1c(F)cncc1Br 633679156 MVDUKMOIVUQHLC-CYBMUJFWSA-N 387.199 3.980 0 40 GHAB O=C(c1cscc1Cl)N1CCC(c2cc(C3CCNCC3)[nH]n2)CC1 638356066 LZKPIVDLNCBYSS-UHFFFAOYSA-N 378.929 3.611 0 40 GHAB O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cccc(C(=O)N=c2cc[nH]cc2)c1 667814293 MTCNVDWJTPHHSI-PXNSSMCTSA-N 385.414 3.910 0 40 GHAB CC1CCN(CC[C@@H]2CCCCN2C(=O)c2cc3ccccc3oc2=O)CC1 2037850043 KUPACEPPOWYTIJ-IBGZPJMESA-N 382.504 3.910 0 40 GHAB COc1ccc(CN2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)cc1F 2037984335 XXPQWEIGIUTIJQ-QHCPKHFHSA-N 398.478 3.622 0 40 GHAB COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)c1 783410 VCSHFAZOCOCIBQ-UHFFFAOYSA-N 397.500 3.792 0 40 GHAB COc1ccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)cc1OC 1332274 KEEVAXVLVOGUDG-UHFFFAOYSA-N 387.505 3.702 0 40 GHAB COc1ccc2cc(CN(Cc3ccccc3)C(=O)c3ccncc3)c(=O)[nH]c2c1 1366680 VOVWXPVMIZUOKF-UHFFFAOYSA-N 399.450 3.774 0 40 GHAB CCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CC)NC(=O)OC(C)(C)C)ccc12 2148372 NHASSLRMDBROAM-HNNXBMFYSA-N 389.448 3.873 0 40 GHAB biogenic O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccco1 2405654 XZVYTTFMCXZPFW-LJQANCHMSA-N 391.354 3.976 0 40 GHAB COc1ccc(OC)c(NC(=O)COC(=O)/C=C/c2ccccc2Cl)c1 3224656 CTOMOMLVUVLJNV-JXMROGBWSA-N 375.808 3.552 0 40 GHAB c1ccc(Cn2c(SCc3cn4cccnc4n3)nnc2-c2ccco2)cc1 3307045 HOSFWXIHCJNZNM-UHFFFAOYSA-N 388.456 3.921 0 40 GHAB CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NC2CC2)ccc1Cl 3534378 PGMNKUIOZCWUGL-UHFFFAOYSA-N 399.299 3.711 0 40 GHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 3548215 FNJHCLDRFSUUCI-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1 4571270 GGASVRVMOZGIMT-QFIPXVFZSA-N 383.492 3.935 0 40 GHAB Cc1cc(C)cc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccncc2)c1 4854886 CDQGXVRONPDILH-UHFFFAOYSA-N 395.532 3.810 0 40 GHAB CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccccc1C(F)(F)F 4944586 LEAFZZYITAVEIU-LLVKDONJSA-N 397.422 3.775 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1cccs1 4965676 CVQGQLBGIWUQCD-UHFFFAOYSA-N 376.434 3.940 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1C 5099543 JBDGSWIGLZFCGK-UHFFFAOYSA-N 384.501 3.793 0 40 GHAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2)cc1 5179931 HSBITBGGMGHVRE-LBPRGKRZSA-N 396.472 3.882 0 40 GHAB Cc1ccc(N2C[C@H](NC(=O)Nc3ccc(OC(F)F)cc3)CC2=O)cc1C 5188628 DZHHDWQZHINREC-OAHLLOKOSA-N 389.402 3.832 0 40 GHAB O=C(Nc1ccc(F)cc1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5438728 HDGCODPKVKKNCB-UHFFFAOYSA-N 382.844 3.661 0 40 GHAB O=C([C@@H](Sc1nnc(-c2ccc(F)cc2)o1)c1ccccc1)N1CCOCC1 5473278 SPFQXSZBTSVWON-KRWDZBQOSA-N 399.447 3.568 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)cc1Cl 5874026 OWZDEFSIOMVQQM-UHFFFAOYSA-N 392.864 3.872 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)COc2c(C)cc(C)cc2C)c1 6551275 RNNRGIYVXBHMDM-KRWDZBQOSA-N 383.444 3.764 0 40 GHAB Brc1ccc(SCCNCc2cnn(-c3ccccc3)n2)cc1 6651100 MIDDEJCNPVVJGV-UHFFFAOYSA-N 389.322 3.912 0 40 GHAB Cc1sc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)N1CCCC1 6679679 PIHSZCGDIYVYDB-UHFFFAOYSA-N 384.910 3.747 0 40 GHAB O=C(CN1C(=O)c2ccccc2O[C@@H](c2ccccc2)C1=O)c1ccc(F)cc1 6719571 VXLCINNXYJMZKC-NRFANRHFSA-N 389.382 3.811 0 40 GHAB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)n1 6851623 FJCAOZPNTIIIJV-LBPRGKRZSA-N 392.502 3.571 0 40 GHAB COc1ccc(C)cc1NS(=O)(=O)c1cc(Br)ccc1OC 7056422 AKTQMJSOJLRRIA-UHFFFAOYSA-N 386.267 3.576 0 40 GHAB O=S(=O)(NCCCn1ccc2ccccc21)c1ccc(Br)cc1 7059451 ZZTLIPPTSOPJGA-UHFFFAOYSA-N 393.306 3.772 0 40 GHAB CCn1c(SC[C@H](O)COCc2ccccc2F)nnc1-c1ccccc1 7205358 UZJJAEBGILBQGN-QGZVFWFLSA-N 387.480 3.774 0 40 GHAB COc1ccc(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2C)c(OC)c1 7990611 XRYPZLVNRANXCR-CQSZACIVSA-N 383.473 3.956 0 40 GHAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 8059164 GIBIARQWCBFSBT-CQSZACIVSA-N 375.490 3.622 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1ccccc1Cl 8059931 DEIWGLYIHGPKAA-UHFFFAOYSA-N 375.881 3.621 0 40 GHAB CCOc1ccc(CCNC(=O)c2cnn(-c3ccccc3)c2)cc1OCC 8244027 CTJJYCCYESTTFM-UHFFFAOYSA-N 379.460 3.642 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1N1CCOCC1 8390566 UPTASBBXMPMNFS-QHHAFSJGSA-N 386.835 3.557 0 40 GHAB COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(C)cc1 8550475 RBAHFZJLIUEJDM-HXUWFJFHSA-N 377.440 3.992 0 40 GHAB C[C@H](Nc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1)C(=O)O 8569829 PQPLYJJQLYDEGS-JTQLQIEISA-N 386.362 3.522 0 40 GHAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cccc(OC)c1 9002298 PIEREGQWOIFADG-UHFFFAOYSA-N 391.470 3.887 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)c1 9036713 IIYMHWDQOOJVLM-UHFFFAOYSA-N 390.439 3.804 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)o2)cc1 9062229 JMPZOOJXGMFOEI-UHFFFAOYSA-N 380.404 3.736 0 40 GHAB CCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 9062304 FFQOBOFJHDINSI-UHFFFAOYSA-N 382.445 3.815 0 40 GHAB CCOc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)sc2c1 9582151 WMGHZJZUFDLFCQ-AWEZNQCLSA-N 395.484 3.995 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9710065 MJHZAJVJMKOXAE-LBPRGKRZSA-N 383.839 3.734 0 40 GHAB CCCOc1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1OCC 9880258 MUWHRKNHGSWUFL-UHFFFAOYSA-N 386.452 3.529 0 40 GHAB Cc1nc(-c2ccc(CNC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)o2)cs1 10208345 DZDLXLMXFADJEG-AWEZNQCLSA-N 385.420 3.593 0 40 GHAB COc1ccccc1CN(CCN(C)C)C(=O)Cc1c(C)[nH]c2ccc(C)cc12 12238260 TVILTQQKOHVDCU-UHFFFAOYSA-N 393.531 3.926 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)nc1 12554041 VDGGWZIAVZUKAQ-CYBMUJFWSA-N 381.379 3.850 0 40 GHAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)c1 12562978 ASAGCDQTLCHHSY-UHFFFAOYSA-N 386.517 3.864 0 40 GHAB Cc1ccccc1CN(C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 12581891 PCSLWOWMHAGIKG-UHFFFAOYSA-N 377.488 3.725 0 40 GHAB COc1ccc([C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)c2nccn2C)cc1 12602740 BCHHNFUKEFQUPH-SXYIGIQMSA-N 379.504 3.851 0 40 GHAB CC[C@@H](NC(=O)CNC(=O)Nc1ccccc1)c1ccc(Br)cc1 12768415 SINDFHCSPNWNEY-MRXNPFEDSA-N 390.281 3.838 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1 12769546 VHOJXCINZZIBBA-GJZGRUSLSA-N 390.480 3.745 0 40 GHAB COc1ccc(CCN(C)C(=O)/C=C/c2ccc3c(c2)OCCCO3)cc1OC 12795597 SPDUJQMCNOPAGY-JXMROGBWSA-N 397.471 3.579 0 40 GHAB O=C(CN1CCC(c2nc3ccccc3o2)CC1)N1CCc2sccc2C1 12816079 BQIQHYHVBVFUOY-UHFFFAOYSA-N 381.501 3.654 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(F)c2)c(OC)c1 12821516 NXCITHCJGHCNOK-QGZVFWFLSA-N 383.416 3.508 0 40 GHAB CCOC(=O)c1cc(CC)sc1NC(=O)c1cc(C)nc2c1c(C)nn2C 12824895 CNYHPDIIACFNGG-UHFFFAOYSA-N 386.477 3.638 0 40 GHAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1Cl 12850476 RQQIJQVHUHBMMC-OAHLLOKOSA-N 383.883 3.861 0 40 GHAB COC(=O)c1ccc(CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 12888913 LDKDZXRCOAZMET-UHFFFAOYSA-N 398.440 3.618 0 40 GHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1cccc(C(F)(F)F)c1 12929610 IKFPJTYBNOGBPL-UHFFFAOYSA-N 389.377 3.581 0 40 GHAB O=C1CN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c2ccccc2N1 13006242 LDGRPWASQAFGMF-UHFFFAOYSA-N 383.860 3.991 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@H]1c1cccc(F)c1 13072228 YTPAZYLUMYZBBX-SFHVURJKSA-N 398.390 3.632 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1Cl 13674256 QHTAERXQEZBXNE-OAHLLOKOSA-N 381.881 3.929 0 40 GHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)on1 14566357 SSFCIYYCZRJUGQ-AAEUAGOBSA-N 381.432 3.773 0 40 GHAB CCOc1ccc(CCNC(=O)c2nc(-c3ccc(F)cc3)no2)cc1OCC 15082472 ZJCGPBFBSWZHEF-UHFFFAOYSA-N 399.422 3.646 0 40 GHAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc2ncsc2c1 15318232 DNCXSBRUUKUIGO-UHFFFAOYSA-N 397.500 3.640 0 40 GHAB CCc1ccc(S(=O)(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 15358888 BIMYKSMSXJTVMH-UHFFFAOYSA-N 383.517 3.589 0 40 GHAB O=C(NC1CCCCC1)[C@@H]1Cc2[nH]cnc2CN1Cc1cc2ccccc2o1 15676288 HPBBPALHFWPAKT-FQEVSTJZSA-N 378.476 3.532 0 40 GHAB biogenic,in-vitro CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc21 15867560 ZDNIQIWVIZDIBU-UHFFFAOYSA-N 385.489 3.893 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1F 19116646 NVDKNJATHRGDKD-JTQLQIEISA-N 396.344 3.695 0 40 GHAB CC(=O)N1CCc2nc([C@@H]3CCCN(CC[C@@H](C)c4ccccc4)C3)ncc2C1 19455666 YPRZMOMGEDIHOP-WIYYLYMNSA-N 392.547 3.754 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N[C@@H]3CCOc4ccccc43)cc2N1 19520589 NIRYILBGSOTGFC-AXAPSJFSSA-N 394.397 3.834 0 40 GHAB COc1ccc2oc(C(=O)N3CCC[C@H](c4cc(=O)cc(C)[nH]4)C3)c(C)c2c1 19570181 PPDMFFOTHIKBOS-HNNXBMFYSA-N 380.444 3.766 0 40 GHAB Cc1nn(C)cc1-c1csc(NC(=O)CCCn2c(C)nc3ccccc32)n1 19719279 GCGYWBZWRBVWQI-UHFFFAOYSA-N 394.504 3.929 0 40 GHAB CCCCN(C)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 20188683 IOTMNKJCPOYZJN-UHFFFAOYSA-N 397.548 3.801 0 40 GHAB Cc1cn2c(=O)cc(COc3ccc(NC(=O)c4ccccc4)cc3)nc2s1 21522235 XGJKEMOXOMSIFU-UHFFFAOYSA-N 391.452 3.896 0 40 GHAB COc1ccc(/C=C/c2nn3c(-c4cc(C(C)C)n[nH]4)nnc3s2)cc1OC 22502651 PPOFXDQVRJMBHE-SOFGYWHQSA-N 396.476 3.887 0 40 GHAB CCc1nc(C)c2c(C)c(C(=O)Nc3ccccc3N3CCOCC3)sc2n1 24778767 PJIYMELVNUWWKB-UHFFFAOYSA-N 396.516 3.959 0 40 GHAB CC(C)(C)C(=O)NCCCC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 24968904 VZGUSULXSSCPGK-UHFFFAOYSA-N 395.475 3.893 0 40 GHAB O=C(COc1ccccc1)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 27663156 DAYOZANHVGYTIR-UHFFFAOYSA-N 396.468 3.777 0 40 GHAB Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)n1 27716677 MMTUXKYFKSKQTQ-UHFFFAOYSA-N 393.374 3.762 0 40 GHAB CSc1ccccc1NC(=O)CN(C)C(=O)Cc1c(C)[nH]c2ccc(F)cc12 31278458 WGFSSYSNUSRCGI-UHFFFAOYSA-N 399.491 3.977 0 40 GHAB Cc1cc(N)nc(SCC(=O)N2c3ccccc3CCc3ccccc32)n1 31745958 FEEVIASTCCVJJA-UHFFFAOYSA-N 376.485 3.923 0 40 GHAB CC(C)Cn1c(S[C@H](C)C(=O)NC2CCCCC2)nnc1-c1ccncc1 32579430 ZHWKPJOPLLVLAJ-OAHLLOKOSA-N 387.553 3.926 0 40 GHAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](c1cccs1)C(C)C 32814221 UPNYUZKQMNIOGF-GOSISDBHSA-N 396.534 3.781 0 40 GHAB Cc1cc(NCc2ccccc2CS(=O)(=O)NC(C)C)c2ccccc2n1 32902985 HRCXFUTYYPGIFR-UHFFFAOYSA-N 383.517 3.983 0 40 GHAB CSc1ncc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)n1 36393775 HFPVXTWAQQTFGH-UHFFFAOYSA-N 390.896 3.730 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)N1CCN(CC(F)(F)F)CC1 38490540 HSNKRYGJRKRJRC-UHFFFAOYSA-N 377.410 3.666 0 40 GHAB O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1CCc1ccccc1 39383854 NMACDGDLOUSWLU-UHFFFAOYSA-N 382.467 3.597 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1noc(C(C)(C)C)n1 45810340 IUOCZZWTYVEJAU-UHFFFAOYSA-N 395.301 3.509 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1 46419262 AFSGHCLGLWKSBL-UHFFFAOYSA-N 394.431 3.660 0 40 GHAB O=C(CNCCOc1ccccc1F)N[C@@H](Cc1ccccc1)c1ccccc1 49590078 FGYFDZSSWUPUGI-QFIPXVFZSA-N 392.474 3.894 0 40 GHAB CCN1CCN(Cc2ccc(NC(=O)Cc3c(C)[nH]c4ccccc34)cc2)CC1 52877188 UOBSOGCHMZQQJH-UHFFFAOYSA-N 390.531 3.795 0 40 GHAB O=C(Cc1nc2cc(-c3ccccc3)sc2c(=O)[nH]1)NCc1ccccc1 53846286 NEMABBPRBBGBEE-UHFFFAOYSA-N 375.453 3.511 0 40 GHAB COC(=O)c1cccc(NC(=O)NCc2cccc(OCc3ccccn3)c2)c1 58158730 SZJUUZYTQALDCJ-UHFFFAOYSA-N 391.427 3.769 0 40 GHAB COC(=O)c1cc2ccccc2cc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 58356906 UAWJRULKAKINSR-HXUWFJFHSA-N 392.386 3.897 0 40 GHAB COc1cccc(N2CCN(C[C@H](O)c3ccccc3C(F)(F)F)CC2)c1 58377089 YHNBLLJRZLJQRO-IBGZPJMESA-N 380.410 3.570 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)O)c(Br)c1 58380518 XAPCHLQVSSOERL-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB COc1cc(C(=O)Nc2ccccc2N2CCOC2=O)ccc1OC(F)F 58420200 OAYJFHVVFYAMOT-UHFFFAOYSA-N 378.331 3.506 0 40 GHAB Cc1ccccc1NC1CCN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)CC1 58430585 NMOSVYAXVVTVBO-NRFANRHFSA-N 381.451 3.730 0 40 GHAB CS(=O)(=O)c1ccc(OCCCN2CCCSc3ccccc32)cc1 63285714 WIWJFYZGTMDOHH-UHFFFAOYSA-N 377.531 3.861 0 40 GHAB Cc1ccc(C)c2sc(N(C)CC(=O)N3CCn4c3nc3ccccc34)nc12 70973755 MDMZBGQHRJQADD-UHFFFAOYSA-N 391.500 3.746 0 40 GHAB Cn1cc(C(=O)NCCn2ccc3c(Cl)cccc32)c2ccccc2c1=O 71279190 BHKJPWKFAJHRJD-UHFFFAOYSA-N 379.847 3.577 0 40 GHAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1cc(C2CC2)on1 77200948 AIOQCPNTXTVQEC-HNNXBMFYSA-N 381.432 3.582 0 40 GHAB CC(C)(NC(=O)CCCNC(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 79025421 RUKKEKIIWHOWEK-UHFFFAOYSA-N 378.394 3.665 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)cc1 84699977 NPJSUNMZCQJNNW-UHFFFAOYSA-N 394.518 3.572 0 40 GHAB O=C(c1cc2occc2[nH]1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 89768059 KPGNWYRSJDHBJK-UHFFFAOYSA-N 392.242 3.666 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)CC2(n3cccc3)CCCCC2)n1 95477372 DXPWHAYCVNEQLQ-UHFFFAOYSA-N 375.494 3.738 0 40 GHAB COc1ccc(CN2CCc3c(COCc4ccncc4)cncc3C2)cc1 96059331 PZHIWMXAXQSXJX-UHFFFAOYSA-N 375.472 3.760 0 40 GHAB COc1ccc(Br)c(C(=O)NC[C@@H](OC)c2ccc(C)s2)c1 96104740 LQIZLZABNDGWIH-CQSZACIVSA-N 384.295 3.945 0 40 GHAB CC[C@@](CNS(=O)(=O)c1ccccc1Br)(OC)c1ccccc1 96123782 PYEKORNCNVLNFO-KRWDZBQOSA-N 398.322 3.679 0 40 GHAB CC(C)NC(=O)N1CCO[C@H](c2ncn3c(Nc4ccccc4)cccc23)C1 96267338 WPZMBQSIMKKMAR-SFHVURJKSA-N 379.464 3.569 0 40 GHAB COc1ccc(-c2cc(N3CCC(NC(=O)c4cccc(F)c4)CC3)[nH]n2)cc1 98212745 KRNBRQOVIINJGB-UHFFFAOYSA-N 394.450 3.623 0 40 GHAB CCOC(=O)c1sc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)c(C(=O)OCC)c1C 100674119 ZHMMLVNRGGBWAS-UPJWGTAASA-N 379.478 3.785 0 40 GHAB O=c1c(CN2CCCCC2)coc(O)c1CN1CCC(Cc2ccccc2)CC1 101374618 YSPQKBMMYTWARK-UHFFFAOYSA-N 396.531 3.786 0 40 GHAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4ccco4)C3=C(O)C2)cc1OC 102675060 GYAZCLMAIWSGJW-RBZFPXEDSA-N 392.415 3.954 0 40 GHAB O=C(Nc1nnc(C(F)(F)F)s1)N1CCC[C@H]1c1ccc2c(c1)OCO2 102952262 LPWKNBSUSSGMBS-VIFPVBQESA-N 386.355 3.655 0 40 GHAB O=C(c1cnn(Cc2ccccc2)c1)N1CCc2cc(Br)ccc21 116000220 ZPPZXOKYFMXCQZ-UHFFFAOYSA-N 382.261 3.897 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(Cl)c1 216468659 CLNVCFDZXHFAHY-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB O=C(COc1ccc(Br)cc1C(=O)O)Nc1ccc(Cl)cc1 217718478 XXIWZFGGFXOAMA-UHFFFAOYSA-N 384.613 3.818 0 40 GHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 219328512 RALJYDADXKALEL-MOPGFXCFSA-N 393.480 3.654 0 40 GHAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC)cc1 222527606 VKFPZWOBUAMZSI-INIZCTEOSA-N 386.923 3.998 0 40 GHAB Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1C 223506192 GDCHZFKZXOHTDK-AWEZNQCLSA-N 390.530 3.565 0 40 GHAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 223590643 UCFWZLDUJKAOAT-RBUKOAKNSA-N 397.525 3.791 0 40 GHAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 223624204 QGYGVMBPVWZZSC-UXHICEINSA-N 384.549 3.743 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(Cl)c1 223886825 KWUUQDFQHIHLHY-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB Cc1ccc(CN(C(=O)Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224206181 CRDZJWVXWINFLK-GOSISDBHSA-N 384.495 3.866 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(OC)c(C)c1 224511718 UGBJFIHPROQGBF-SFHVURJKSA-N 391.489 3.528 0 40 GHAB COc1ccc(CCNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 225315970 KLOWXWSXBCNUMJ-UHFFFAOYSA-N 383.517 3.660 0 40 GHAB Cc1ccc(NC(=S)NCCSCc2ccco2)cc1N1CCCC1=O 225349038 QZRZIOSMEKWZBK-UHFFFAOYSA-N 389.546 3.935 0 40 GHAB C[C@@](O)(CNC(=O)c1ccc(-c2ccsc2)cc1)c1ccc2c(c1)OCO2 225618285 BSOHVQMEFGMYNP-OAQYLSRUSA-N 381.453 3.781 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225727659 ZPYXYFRGPGCYPF-AATRIKPKSA-N 396.800 3.511 0 40 GHAB COc1ccc(CNC(=O)NCc2cccnc2-c2cccs2)cc1OC 225762368 FQOUQBGZIKNPOQ-UHFFFAOYSA-N 383.473 3.827 0 40 GHAB COC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253491072 LBPKNGBNCCAHKH-COFNJEDVSA-N 390.520 3.929 0 40 GHAB Cc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3O2)o1 253590089 BHBTVKSATJLZAR-CMERVKLISA-N 394.471 3.549 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 255190514 XSJDTSHOFUFCIW-UHFFFAOYSA-N 391.924 3.985 0 40 GHAB O=C(c1ccccn1)N1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 257310475 UFFBRDSYKOOZON-NRFANRHFSA-N 393.874 3.935 0 40 GHAB CCCCn1cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)c(C)n1 257318045 VMFQWWOJGILXQH-RXVVDRJESA-N 380.540 3.644 0 40 GHAB Cc1c[nH]ccc1=NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 504169416 OLAXNMPCPSBQKW-UHFFFAOYSA-N 383.455 3.986 0 40 GHAB COc1cc(C)c(CN(C)C(=O)c2cc(O)cc(Br)c2)cc1OC 527701029 PXJPHXUAIGSZTJ-UHFFFAOYSA-N 394.265 3.753 0 40 GHAB C[C@@H](c1ccsc1)N1CCN(C(=O)NCCc2cccc3[nH]ccc23)CC1 572344223 PDICBUFDGYQHES-INIZCTEOSA-N 382.533 3.860 0 40 GHAB O=C1C[C@H]2[C@H](CCN2Cc2ccccn2)N1Cc1c(Cl)cccc1Cl 585109052 QGTSLGINNBGBEI-ROUUACIJSA-N 376.287 3.764 0 40 GHAB CN(C(=O)c1cc2cccc(F)c2[nH]1)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585271733 BYDIZUKEMPBCKL-SFHLNBCPSA-N 382.435 3.740 0 40 GHAB O=C(N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cnc2n1CCCCC2 622121356 ADWHXAAUGFJGCM-CVEARBPZSA-N 377.492 3.942 0 40 GHAB CCOc1ccc(CC(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1 655265002 FHUBTCFGWCXWHO-UHFFFAOYSA-N 375.472 3.977 0 40 GHAB CC(C)c1ncc(CNC(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)[nH]1 1179096544 WFZQNLMANIEGDX-UHFFFAOYSA-N 378.354 3.736 0 40 GHAB COC(=O)[C@H]1CN(C(=O)Nc2ccc(Br)cc2)Cc2ccccc21 1202333305 MAELZDKFUTZHSL-INIZCTEOSA-N 389.249 3.753 0 40 GHAB O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)c1cccc(C(F)(F)F)c1O 1648834369 IMXAWBAMAHRMDE-UHFFFAOYSA-N 390.243 3.953 0 40 GHAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCC1 905005 BRSBAKPEPZBXDV-UHFFFAOYSA-N 394.928 3.681 0 40 GHAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 1459932 NPPOJTQKSABEPT-INIZCTEOSA-N 382.460 3.864 0 40 GHAB O=C(Cc1ccc(OCc2ccccc2)cc1)NCc1ccc2c(c1)OCO2 1612390 QIKBFMMXWUXFME-UHFFFAOYSA-N 375.424 3.853 0 40 GHAB COc1cc2c(-c3cc(OC)c(OC)c(OC)c3)cc(C)[n+](C)c2cc1OC 1634081 ZXPKSPHGKWEKKN-UHFFFAOYSA-N 384.452 3.683 0 40 GHAB O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc2c(c1)OCCO2 2235258 SLKJKZLTMZZARV-INIZCTEOSA-N 375.833 3.535 0 40 GHAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC)cc1 2709749 QTRQZJKTGZFFLN-UHFFFAOYSA-N 390.505 3.758 0 40 GHAB COc1cc(C(=O)COC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OC 3244038 OGUDLUROFGFSAR-UHFFFAOYSA-N 398.333 3.771 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1 3248177 MTVPWGGVLNUVNI-UHFFFAOYSA-N 396.468 3.682 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 3330833 RJZUOGXHVWTERR-UHFFFAOYSA-N 395.337 3.754 0 40 GHAB O=S(=O)(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1cccc(O)c1 4248198 AGUXWPCSXSNXNP-SFHVURJKSA-N 384.482 3.994 0 40 GHAB Cc1cc(S(=O)(=O)c2cc3cc(Br)ccc3oc2=O)ccc1F 4484160 JBPXGXBUVBESPF-UHFFFAOYSA-N 397.221 3.836 0 40 GHAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 4667067 VWLSLVNSJVXSMH-UHFFFAOYSA-N 391.489 3.590 0 40 GHAB Cc1ccc(NC(=O)Nc2nnc(CC(=O)Nc3ccccc3)s2)cc1C 4901955 BAKCJFNPZGQHIJ-UHFFFAOYSA-N 381.461 3.980 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)o2)cc1OC 5019126 WPMUVIBLINUUPN-UHFFFAOYSA-N 389.408 3.624 0 40 GHAB CN(Cc1ccccc1)C(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 5060271 DXGVKVSYTWCERR-UHFFFAOYSA-N 392.480 3.521 0 40 GHAB CCOc1ccc2nc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)sc2c1 5268534 FSDMFVRDHOVDIR-UHFFFAOYSA-N 399.491 3.725 0 40 GHAB CN(C(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)c1ccccc1 5438660 NVALUXSDGBCZLE-UHFFFAOYSA-N 378.881 3.547 0 40 GHAB CC/C(N[C@H](C)c1ccccc1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 5625211 AGGJWYOSRMLWGO-OYLHUBKDSA-N 397.862 3.938 0 40 GHAB Cc1cc2oc(=O)cc(COC(=O)CNC(=O)c3ccccc3)c2cc1C(C)C 5716101 IGBVSBQQRRNQLF-UHFFFAOYSA-N 393.439 3.698 0 40 GHAB CCc1ccccc1NC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1 6169004 IBAIAVUTXHPCFC-UHFFFAOYSA-N 380.897 3.552 0 40 GHAB CCOC(=O)c1c(COC(=O)c2ccc(C=O)cc2)nc2ccccc2c1C 6408875 SBVUEQBVJWNDSB-UHFFFAOYSA-N 377.396 3.889 0 40 GHAB COc1ccc(OC)c(NC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)c1 6660316 UEJQBTUWSWEGRV-UHFFFAOYSA-N 397.427 3.699 0 40 GHAB COc1cc(-c2nc(O)c3c(n2)Oc2ccc(F)cc2C3)cc(OC)c1OC 6748518 KEZLUYGYAUYVFI-UHFFFAOYSA-N 384.363 3.711 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(OC(F)F)cc2)n2ncnc2N1 6849280 GSARNTPLGNCZET-QGZVFWFLSA-N 397.385 3.807 0 40 GHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Cl)cc1 6880360 LPGDPDBAGGYRJJ-UHFFFAOYSA-N 380.897 3.600 0 40 GHAB O=C(COc1ccc(I)cc1)Nc1ccc(Cl)cc1 7034782 LNOSVWUKWCAWAV-UHFFFAOYSA-N 387.604 3.962 0 40 GHAB CCOc1ccccc1-c1nc(CC(=O)NCc2ccc3c(c2)OCO3)cs1 8734240 CQNLLWCORZOURO-UHFFFAOYSA-N 396.468 3.796 0 40 GHAB COc1ccc2[nH]cc(CCNC(=O)c3cc4c(OC)ccc(OC)c4[nH]3)c2c1 8764813 JGFPVUVRRHWRGH-UHFFFAOYSA-N 393.443 3.648 0 40 GHAB biogenic CCCCOC(=O)c1ccc2nc(NC(=S)NC(=O)C(C)C)sc2c1 8903336 IWIBYKOFOIDCRB-UHFFFAOYSA-N 379.507 3.722 0 40 GHAB CCOc1ccc(N/C(CC)=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 9013857 XHVWUJSFXJKTCM-VHEBQXMUSA-N 393.443 3.753 0 40 GHAB O=C(Nc1ccccc1)Nc1nc(C(=O)Nc2ccc3c(c2)OCO3)cs1 9317377 NPPLRVUFIPIEJI-UHFFFAOYSA-N 382.401 3.768 0 40 GHAB O=C(CSc1nnc(N2CCCC2)n1-c1ccccc1Cl)c1ccc[nH]1 9471031 CWGKXSMCARRZCP-UHFFFAOYSA-N 387.896 3.824 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 9486633 DWGMCUIABYIIBB-HNNXBMFYSA-N 379.435 3.727 0 40 GHAB CCOc1cccc(-c2nn3c(COc4ccc(OC)cc4)nnc3s2)c1 10312299 BNXJCHGYAQBSFP-UHFFFAOYSA-N 382.445 3.839 0 40 GHAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N1CCCCCC1 11118275 AFSHOKMHYFSLHT-UHFFFAOYSA-N 398.528 3.827 0 40 GHAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 12321625 SCSUYTPKBTYOPE-GOSISDBHSA-N 395.890 3.990 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)OCc1cc(=O)oc2cc3c(cc12)CCC3 12449996 VKBFHMGGIYRKSA-UHFFFAOYSA-N 392.407 3.686 0 40 GHAB CC(=O)N1CCc2cc(N[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3)ccc21 12514344 WJXRTOHUICQFEW-OAQYLSRUSA-N 390.443 3.684 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1nccs1 12526279 CTCURUVNXQMJAN-UHFFFAOYSA-N 391.449 3.644 0 40 GHAB Cc1ccc(-n2c(C)nn(CN3CCN(c4ccccc4F)CC3)c2=S)cc1 12563020 HPODFDFYIPJDBU-UHFFFAOYSA-N 397.523 3.939 0 40 GHAB Cc1cc(/C=C/C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(C)n1C1CC1 12812125 VJLCPJGMLGXXHK-IZZDOVSWSA-N 399.516 3.532 0 40 GHAB O=C(CN[C@@H](c1ccccc1)c1cccs1)Nc1ccc2c(c1)OCCO2 12861616 FBJLWCGPRVQYMX-NRFANRHFSA-N 380.469 3.837 0 40 GHAB O=C(NCCCCOc1ccccc1)c1cccc(I)c1 12921552 YRLWUPLUHGHHNP-UHFFFAOYSA-N 395.240 3.880 0 40 GHAB CCCOc1ccc(-c2csc(NC(=O)CN3CCSC3=O)n2)cc1 12984267 RUDMAWKDNYBLAA-UHFFFAOYSA-N 377.491 3.706 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3ccc(F)cc3)n2)cc1 13801276 ZDBAZVWVYJOWTB-UHFFFAOYSA-N 380.423 3.570 0 40 GHAB O=C1C[C@@H](C(=O)NCCCSc2ccc(F)cc2)c2ccc(F)cc2N1 14079652 ISPUNWGYAJGTRZ-MRXNPFEDSA-N 376.428 3.689 0 40 GHAB COc1cc(CCC(=O)NCC2(c3ccccc3)CCC2)cc(OC)c1OC 14117038 GVBWVVRFMKDMPP-UHFFFAOYSA-N 383.488 3.883 0 40 GHAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1Oc1ccccc1 15963755 NZTPHYXWEGGGPT-IAGOWNOFSA-N 378.428 3.593 0 40 GHAB C[C@H](OC(=O)CCSc1ccccc1F)C(=O)Nc1ccc(N(C)C)cc1 16539936 VZPUTSPIZRZKEU-AWEZNQCLSA-N 390.480 3.944 0 40 GHAB CCCc1nn(CC(=O)Nc2ccc(F)c(Cl)c2)c(=S)n1-n1cccc1 16777821 XHPRTAFQTYOEGN-UHFFFAOYSA-N 393.875 3.911 0 40 GHAB Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)CC(=O)N2 17028907 WAWIRBHQBMOFNB-QGZVFWFLSA-N 395.846 3.785 0 40 GHAB C[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C)n1ccnc1 19455392 HAQIBTIQJBPTHJ-RJSMDTJLSA-N 380.536 3.703 0 40 GHAB C[C@H](CCN1CCCCCC1)NC(=O)C1(c2ccccc2F)CCOCC1 19713961 HNXABUFBEUPGEI-GOSISDBHSA-N 376.516 3.645 0 40 GHAB CC[C@H](C(=O)Nc1ccc(OC)cc1OC)n1nc(-c2ccccc2)ccc1=O 20095761 MOLRPRKNWBESLF-LJQANCHMSA-N 393.443 3.517 0 40 GHAB CC[C@H](C(=O)N(C)C1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 20111888 SKRJMGWSHCZWFA-QGZVFWFLSA-N 386.945 3.676 0 40 GHAB CCN1CCN(Cc2c(NC(=O)c3ccc(OC)cc3)sc(C)c2C)CC1 20218807 KLCWSQOEVHFFBX-UHFFFAOYSA-N 387.549 3.763 0 40 GHAB CC(C)OC(=O)c1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1 20411803 HHXVTFAITDWDNX-UHFFFAOYSA-N 376.459 3.662 0 40 GHAB CC(C)c1ccccc1NC(=O)c1cc(Br)ccc1-n1cnnn1 20721083 AMAWKQOZIBXGIY-UHFFFAOYSA-N 386.253 3.801 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 22618680 CXETXBXHSOPDLH-IERDGZPVSA-N 393.487 3.920 0 40 GHAB O=C(CN1CCN(Cc2ccccn2)CC1)Nc1ccccc1-c1ccccc1 22808844 YZLMGKGOAUANRX-UHFFFAOYSA-N 386.499 3.505 0 40 GHAB O=C([C@@H]1Cc2ccccc2O1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 24148590 XGNLKLOMUVZFQG-DEOSSOPVSA-N 398.506 3.924 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 24925878 PEKIEWNBTHRKIL-UHFFFAOYSA-N 387.457 3.774 0 40 GHAB Cc1cccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1 30955105 NNNKWHCZPWMJBB-UHFFFAOYSA-N 376.460 3.896 0 40 GHAB COc1ccc2nc(NC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)sc2c1 32808538 FQFJEMMHGBFOPM-UHFFFAOYSA-N 383.408 3.585 0 40 GHAB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)CCC2 32930191 ZGIRNHDWVYSMQJ-UHFFFAOYSA-N 389.421 3.988 0 40 GHAB Cc1ccc(C(=O)CCCN2CCC(NC(=O)c3cccc(F)c3)CC2)cc1 35315427 SUMPMVKUAOKVJL-UHFFFAOYSA-N 382.479 3.991 0 40 GHAB Cc1ccccc1-n1ncc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)c1C 40073899 RWMHGCHFTQQVQC-IBGZPJMESA-N 386.459 3.509 0 40 GHAB Cc1cc(O[C@H](C)C(=O)NC2CCN(C(=O)c3ccco3)CC2)ccc1C(C)C 40145285 WIPAHHJKCATRDL-QGZVFWFLSA-N 398.503 3.900 0 40 GHAB O=C(NC[C@@H]1CCCO1)c1ccccc1Sc1ccc(Br)cn1 40149000 NCEHDGRZUWQQAA-ZDUSSCGKSA-N 393.306 3.904 0 40 GHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1snnc1-c1ccccc1 40266449 YKUBDNFFCLQXPU-UHFFFAOYSA-N 378.501 3.600 0 40 GHAB Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)c1ccccc1 42646388 DVJALUWMMSIYCM-CYBMUJFWSA-N 375.266 3.616 0 40 GHAB Cn1ncc2c1CCC[C@@H]2NCc1cc(Br)c2c(c1)OCCCO2 42797111 SPMGQYJRRNDDNR-HNNXBMFYSA-N 392.297 3.511 0 40 GHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(Cl)cc2F)c1 44220234 QAWRROPKXPRGOP-UHFFFAOYSA-N 375.831 3.821 0 40 GHAB NC(=O)[C@@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)C1 45887694 IPVIHOAAKSMNLC-SNVBAGLBSA-N 390.226 3.640 0 40 GHAB CCCCc1c(C)nc2nc(SCC(=O)Nc3nc(C)cs3)nn2c1C 48355155 WJUWJOLNBGNFFG-UHFFFAOYSA-N 390.538 3.579 0 40 GHAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCC[C@H](c2nc3ccccc3o2)C1 48362250 GBOQWJWPSMDCHX-HOTGVXAUSA-N 381.480 3.812 0 40 GHAB COc1ccc(C(=O)N2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1OC 49170850 ZEWPJJVMCFMTCV-AWEZNQCLSA-N 397.406 3.523 0 40 GHAB biogenic,in-vitro S=c1n(-c2ccccc2)cnn1CN1CCN(c2cccc(Cl)c2)CC1 57395045 CRMLNWQYCTZELI-UHFFFAOYSA-N 385.924 3.836 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC(C)C)nc3ccsc3c2=O)c(C)c1 57488636 MYVIXPIBFRSITN-UHFFFAOYSA-N 387.530 3.681 0 40 GHAB CCOc1ccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)cc2=O)cc1 57526650 YPMWYCHGEOXOIM-UHFFFAOYSA-N 397.862 3.910 0 40 GHAB Cc1cc(=O)n(CC(=O)NCCCc2ccccc2)c(-c2cccc(Cl)c2)n1 57526896 DEZVOFLMBGUPNV-UHFFFAOYSA-N 395.890 3.621 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3cccc(C)c3)CC2)c1 57720074 MQVFBPPWXPAEJJ-UHFFFAOYSA-N 397.519 3.553 0 40 GHAB NC(=O)[C@@H](CNC(=O)c1cc2c(s1)CCCCCC2)Cc1ccc(F)cc1 58153639 VMSVSGBGAJDOPG-MRXNPFEDSA-N 388.508 3.620 0 40 GHAB O=S(=O)(Nc1cc(F)cc(N2CCOCC2)c1)c1ccc2ccccc2c1 58180134 SCDMFPSMUFYRSE-UHFFFAOYSA-N 386.448 3.616 0 40 GHAB CCS(=O)(=O)Nc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1C 62580686 DMPKFSHPWFHHBZ-UHFFFAOYSA-N 398.484 3.927 0 40 GHAB COc1ccc(-c2nnc(Cc3nc(-c4ccccc4F)no3)o2)cc1OC 65185414 ASEDUNHSZOPUID-UHFFFAOYSA-N 382.351 3.534 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)N2CCC(c3nc(C)no3)CC2)cc1 65565162 CNRLACAQXNZZJC-UHFFFAOYSA-N 386.452 3.746 0 40 GHAB COCCOc1ccc(CN2C[C@@H](c3ccn[nH]3)[C@H](c3ccc(F)cc3)C2)cc1 72395569 VCSKHIYMEVJNFE-FCHUYYIVSA-N 395.478 3.957 0 40 GHAB Cn1nc(-c2cccs2)cc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 72405145 BZOQSEGLJHKZDA-UHFFFAOYSA-N 386.908 3.764 0 40 GHAB COc1ccc(OC)c2c1cc(C(=O)Nc1nc(-c3ccncc3)cs1)n2C 72405940 KVBKNLGSNREQJQ-UHFFFAOYSA-N 394.456 3.966 0 40 GHAB COc1ccc(CCc2nc3nccc(-c4ccc(F)cc4)n3n2)cc1OC 95472426 RJQOCWOMOVYFQZ-UHFFFAOYSA-N 378.407 3.733 0 40 GHAB O=C(c1ccn(-c2ccccc2Cl)n1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 95980247 QZVAZFUFEOXNCK-CQSZACIVSA-N 396.882 3.541 0 40 GHAB Cc1ccc(CN2CCC3(CC[C@H]3NS(=O)(=O)c3ccccc3)CC2)s1 96051627 QLQPNPZNOFMORC-LJQANCHMSA-N 390.574 3.780 0 40 GHAB Cc1cccc(N2C[C@@]3(CCN(C(=O)c4cnc5ccccc5c4)C3)CC2=O)c1 96238523 JTQGWKXDMLKZHC-DEOSSOPVSA-N 385.467 3.812 0 40 GHAB CC[C@](Br)([C@H](O)c1ccc(Cl)cc1Cl)S(C)(=O)=O 96521559 CSDPTVHMQWBXNY-GHMZBOCLSA-N 376.099 3.573 0 40 GHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 102245544 CUVWLTYRUZFZSU-YESZJQIVSA-N 376.522 3.626 0 40 GHAB Cc1c(Cl)cccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 216421712 IXYUGPBISLWENF-UHFFFAOYSA-N 392.908 3.826 0 40 GHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 219371322 JADXBMTWVMVVMS-GOSISDBHSA-N 395.459 3.836 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2cccc(OC)c2)no1 219380762 CYOQNVULIGVBQG-GOSISDBHSA-N 395.459 3.836 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 222920853 PMLNNVANQKYVLH-SFHVURJKSA-N 390.936 3.986 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 223086506 VMLCGNLVNAOLBH-GOSISDBHSA-N 396.531 3.878 0 40 GHAB CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCCOC)c1ccccc1 223342911 DDXSEOORVLIPTB-JOCHJYFZSA-N 382.504 3.709 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(OC)c(C)c3)n2)c1 223598919 YNISLYAKJGQASM-UHFFFAOYSA-N 395.459 3.653 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1 223723496 IFCHWDKATQLYGD-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB CCCCOCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC 224440927 IWTGTNOXEANTTR-UHFFFAOYSA-N 396.531 3.970 0 40 GHAB CCOC(=O)c1ccccc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl 224931171 DENYHZXMTKFAKN-UHFFFAOYSA-N 388.272 3.995 0 40 GHAB CCCc1ccc(OCCNS(=O)(=O)c2cc(Cl)ccc2OC)cc1 225196870 GLWLPMGPLFTQCS-UHFFFAOYSA-N 383.897 3.658 0 40 GHAB COc1cccc2cc(C(=O)NCCc3c(C)nn(-c4ccccn4)c3C)oc12 225581368 ZWNGISBWSGYOQO-UHFFFAOYSA-N 390.443 3.611 0 40 GHAB COc1ccccc1OC[C@H](C)NC(=O)Cc1cccc(Br)c1 225623261 QNZLTDMTGKCERI-ZDUSSCGKSA-N 378.266 3.584 0 40 GHAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(Oc3nccs3)cc2)c1 225636476 GHWMKACDGVUQTF-UHFFFAOYSA-N 389.458 3.559 0 40 GHAB CO[C@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(Cl)s1 225705999 WTBQCRGMQNNZSH-LLVKDONJSA-N 384.281 3.860 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccc(C)cc2C)CC1 240789070 AYDDTONNYNDDKU-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB Cc1cc([C@@H]2CCCCN2C(=O)C2CCOCC2)nc(-c2c(C)noc2C)n1 257257049 KNWPVIWYMIANLH-SFHVURJKSA-N 384.480 3.537 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CC[C@@H](c2ccnc(Nc3ccccn3)n2)C1 257311404 UJGZSJGJMDSHBU-OAHLLOKOSA-N 379.851 3.898 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCCC[C@@H]2C)n1 260739701 OLTUBNXODLFZQE-HOTGVXAUSA-N 390.601 3.787 0 40 GHAB Cc1cc(C)cc(CN2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 306126761 FEQVQXOZDSLTHV-HSZRJFAPSA-N 399.498 3.982 0 40 GHAB CN1CCN(Cc2ccsc2)C[C@@H]1c1cn2c(-c3ccncc3)cccc2n1 306139575 TUQRFLORADPBKC-OAQYLSRUSA-N 389.528 3.947 0 40 GHAB O=C(CNC(=O)c1ccc(COc2ccccc2)o1)Nc1ccccc1Cl 408562494 QDTZWGDYTYSADN-UHFFFAOYSA-N 384.819 3.881 0 40 GHAB O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 408626472 HMPPQUJZNDXSLL-UHFFFAOYSA-N 383.256 3.891 0 40 GHAB CN(C(=O)c1ccccc1OC1CC1)c1ccc(OCCN2CCCC2)cc1 514187659 ZDQSULZAFJJUCE-UHFFFAOYSA-N 380.488 3.979 0 40 GHAB C[C@H](NC(=O)C1(c2cc(F)cc(F)c2)CCCC1)C(=O)N1Cc2ccccc2C1 529224821 OCPPDSKLKVBXRA-HNNXBMFYSA-N 398.453 3.824 0 40 GHAB COc1ccc(Br)c(CC(=O)N[C@H]2CCc3ccc(F)cc32)c1 531772956 YQRHXEOXBYNSQJ-KRWDZBQOSA-N 378.241 3.943 0 40 GHAB COc1ccccc1[C@H](CNC(=O)c1sc2nccn2c1C)N1CCCCC1 535715038 PQARZFHRLKWKIN-KRWDZBQOSA-N 398.532 3.670 0 40 GHAB Cn1nccc1[C@H]1C[C@@H](NC(=O)Nc2ccnc(-c3ccccc3)c2)CCO1 567342291 FTVPMUUMYMVFEV-FXAWDEMLSA-N 377.448 3.524 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1nccnc1-c1ccsc1 575618985 KTQUQLOFBGFONA-UHFFFAOYSA-N 393.447 3.675 0 40 GHAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc(F)cc1Cl 585111317 OGFDWTXDATXDBD-IBGZPJMESA-N 399.853 3.768 0 40 GHAB CCN(C(=O)Cc1ccc(NC(=O)N[C@@H]2COC(C)(C)C2)cc1)c1ccccc1 665412995 GEVWBMNNSAMCGZ-IBGZPJMESA-N 395.503 3.971 0 40 GHAB O=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1nc(-c2ccccc2C(F)(F)F)ns1 667601093 RAZKVPXSSCAZKW-AOOOYVTPSA-N 396.394 3.952 0 40 GHAB CC(C)(C)c1ccc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)cc1 1775968030 JPOGSZHLJYOXLP-UHFFFAOYSA-N 393.531 3.582 0 40 GHAB O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCCCCC1 810032 RDOFZHKVWIJGCR-UHFFFAOYSA-N 392.565 3.633 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3)cc2c1 916820 SVMWPBHNOJFNTO-UHFFFAOYSA-N 395.528 3.590 0 40 GHAB O=C(N[C@H]1CCSC1=O)c1ccc(Oc2cccc(C(F)(F)F)c2)nc1 1404272 FSUUQRAPSUHLEA-ZDUSSCGKSA-N 382.363 3.655 0 40 GHAB COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)cc1 2249917 BYKCCWSZJKBEPC-DYVFJYSZSA-N 388.489 3.543 0 40 GHAB Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1C1CCCCC1 2290442 KXJGSNRIOWOMFU-HNNXBMFYSA-N 393.491 3.581 0 40 GHAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 2653602 OTIBDXSMQJLVQE-KRWDZBQOSA-N 394.471 3.574 0 40 GHAB CCN(CC)C[C@H](C)NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1 2781423 LOQZNDKZCIHQDX-NSHDSACASA-N 394.869 3.669 0 40 GHAB CCCC[C@H](Sc1ccc2nnc(-c3ccc(OCC)cc3)n2n1)C(=O)O 4165128 FTZIKNQBFYEECS-HNNXBMFYSA-N 386.477 3.926 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CSc2nccn2Cc2ccc(C)cc2)cc1 4248773 WZZQLZNYKKYRFO-UHFFFAOYSA-N 394.500 3.929 0 40 GHAB Cc1cc(C)c(C(N)=O)c(SCC(=O)c2ccc(Br)cc2)n1 4278835 GYDBMEIYVFQPRL-UHFFFAOYSA-N 379.279 3.535 0 40 GHAB CN(C)C(=O)Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 4339945 DOYZODKUUCDFOH-UHFFFAOYSA-N 377.352 3.627 0 40 GHAB biogenic O=C(NC(=S)Nc1nccs1)c1cc(Br)ccc1Cl 4723359 JYDPEZWCYXGONE-UHFFFAOYSA-N 376.688 3.686 0 40 GHAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Br)cc1 4878650 MHCPDHAEZYMXLP-OAHLLOKOSA-N 391.269 3.673 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)cc1 4938562 NUIAPOYEMBJUMW-UHFFFAOYSA-N 383.839 3.748 0 40 GHAB COc1ccc(OC)c(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)c1 5001797 WIEUPGCFORRULA-UHFFFAOYSA-N 381.432 3.714 0 40 GHAB COc1ccc(-c2cc3ncn(CC(=O)NC4CCCCC4)c(=O)c3s2)cc1 5332943 IQCRAGJIOORQJC-UHFFFAOYSA-N 397.500 3.583 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Cl)cc2C)c(C)c1 5413932 CCFLDBOAEJKDPI-UHFFFAOYSA-N 387.896 3.972 0 40 GHAB CCOc1ccccc1OCC(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 6504309 IPGXRNNFNUYPRV-KRWDZBQOSA-N 399.516 3.951 0 40 GHAB COc1ccc(NC(=O)[C@@H](Sc2n[nH]c(N)n2)c2ccccc2)cc1Cl 6605817 BTRXRHSMXDDDDG-AWEZNQCLSA-N 389.868 3.521 0 40 GHAB Cc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1 6708642 PHBPHRBEWGQYKF-SFQUDFHCSA-N 384.432 3.600 0 40 GHAB Cc1nn(-c2ccc(C(=O)N[C@@H](C)c3nnc4ccccn34)cc2)c(C)c1Cl 6758086 BIVUOCBPYOIPKJ-ZDUSSCGKSA-N 394.866 3.676 0 40 GHAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 6998027 HQCOPKLCJJUEFT-UHFFFAOYSA-N 394.581 3.627 0 40 GHAB Cc1c(NC(=O)c2ccccc2C(F)(F)F)c(=O)n(-c2ccccc2)n1C 7598535 JVNNRYSGHOGEGI-UHFFFAOYSA-N 375.350 3.756 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccccc2OC)ccc1Cl 7981677 WXWODBDFDREAIM-UHFFFAOYSA-N 396.896 3.631 0 40 GHAB CC(=O)N1C[C@@H](C(=O)Nc2nc3ccc(Cl)cc3s2)Oc2ccccc21 7990365 MBVPGZPZFPRKJY-HNNXBMFYSA-N 387.848 3.702 0 40 GHAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H]2CCCO2)cc1 8133478 ZTGWFSREZBQBEH-FQEVSTJZSA-N 375.472 3.816 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2 8225329 KXIXXHBIIVRFTF-LLVKDONJSA-N 387.379 3.516 0 40 GHAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C(C(=O)OCC)=C(C)N2 8346016 LPLRAOOUZZXNJZ-HNNXBMFYSA-N 385.489 3.667 0 40 GHAB COc1ccccc1NC(=O)Cc1noc(CSc2ncccc2Cl)n1 8751115 BITBOIGXLSWNAE-UHFFFAOYSA-N 390.852 3.600 0 40 GHAB CCOc1ccc(NC(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)C(=O)O2)cc1 8839434 DPSSVYSMVGLIIZ-QGZVFWFLSA-N 389.839 3.886 0 40 GHAB COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)ccc2C)c1 8843866 VCHCCPPLJHPKJB-LJQANCHMSA-N 381.501 3.744 0 40 GHAB CCCCOc1ccc(C(=O)NCC(=O)Nc2cccc3cccnc23)cc1 8987682 AZZKEMJHSWQNPF-UHFFFAOYSA-N 377.444 3.782 0 40 GHAB CCOc1cc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)ccc1O 9849604 ABAMDRHAJOZVNN-UHFFFAOYSA-N 382.504 3.628 0 40 GHAB Cc1ccc(OCCN(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 10294485 RIMOQTMLPRZWKB-UHFFFAOYSA-N 398.478 3.524 0 40 GHAB Cc1onc(-c2ccncc2)c1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 12193399 NCQWUVNAMXTADH-UHFFFAOYSA-N 395.419 3.879 0 40 GHAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)c2cc(C3CC3)on2)C1 12238675 IAKILPFIYYTILI-SFHVURJKSA-N 389.459 3.848 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)NCCNC(=O)c1c[nH]c2ccccc12 12296614 YTTNTZBTPBTBMH-UHFFFAOYSA-N 388.471 3.518 0 40 GHAB biogenic COc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)c(OC)c1 12328262 ZZGDXMGKUMENNN-UHFFFAOYSA-N 380.448 3.528 0 40 GHAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 12783679 RDRPLAQKBKIPBL-LBPRGKRZSA-N 388.443 3.698 0 40 GHAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCC2=O)cc1 12793501 CMTPDUCVHMNOIZ-UHFFFAOYSA-N 376.378 3.758 0 40 GHAB CCn1nc(C(=O)OCc2ccc3cc(OC)ccc3c2)c2ccccc2c1=O 12809551 SONNCRIXECWKEJ-UHFFFAOYSA-N 388.423 3.935 0 40 GHAB COCCCn1c(SCc2cc(C)no2)nc2cc(Cl)ccc2c1=O 12940412 LCVWIKBQNLDULP-UHFFFAOYSA-N 379.869 3.675 0 40 GHAB O=C(NCCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)c1ccsc1 12997146 UALBXLLOEOBERR-AWEZNQCLSA-N 399.541 3.884 0 40 GHAB C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1 12997901 IHEDTUSCUZNWAV-CQSZACIVSA-N 384.867 3.956 0 40 GHAB O=c1/c(=C/c2c(F)cccc2Cl)sc2nnc(-c3ccccc3Cl)n12 13547435 AWNMUPROJFYKGV-ZSOIEALJSA-N 392.242 3.812 0 40 GHAB CC[C@H](C(=O)NC1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714556 SPXJCSKJMVZOMN-QGZVFWFLSA-N 386.945 3.724 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1 14831687 FFHSHBDCWLKAKT-UHFFFAOYSA-N 385.489 3.807 0 40 GHAB COc1ccc(OC)c(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)c1 15883244 HDZHVVVMDIUOLF-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB COc1ccc(Cn2nnnc2S[C@H](C)c2nnc(-c3ccccc3)o2)cc1 16369330 CHUMIPIUWDIQCO-CYBMUJFWSA-N 394.460 3.633 0 40 GHAB NC(=O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2Cl)cc1 16730554 JBZDIMFHNVIAQP-UHFFFAOYSA-N 387.844 3.874 0 40 GHAB O=C(Cc1csc(Nc2ccccc2)n1)N1CCN(c2ccccc2)CC1 16849990 ISKRINGLZVXJPX-UHFFFAOYSA-N 378.501 3.778 0 40 GHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)c(C)c3)ccc21 17248141 XLIZCCKSWDUSRS-UHFFFAOYSA-N 376.453 3.624 0 40 GHAB Cc1ccn2c(=O)cc(COC(=O)c3cccnc3Oc3ccccc3)nc2c1 18375574 ALZQYZMSHUYUDA-UHFFFAOYSA-N 387.395 3.547 0 40 GHAB COc1ccc(C)cc1CN1CCC(c2nc(-c3cccnc3)cc(=O)[nH]2)CC1 19133368 RVMQFDJWAPOJIW-UHFFFAOYSA-N 390.487 3.529 0 40 GHAB Cc1ccccc1-c1cccc(C[C@H]2CN(C(=O)C3CCCC3)CCNC2=O)c1 19237453 MRVRUZKKXLNFDF-QFIPXVFZSA-N 390.527 3.969 0 40 GHAB C[C@H]1CN([C@@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)C[C@@H](C)O1 19315592 KLADKBTYRMALAX-CAONVOGWSA-N 391.726 3.622 0 40 GHAB Cc1nc([C@H]2CCCN2CC2CC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19740399 IMQJFMXSCJLRGD-HXUWFJFHSA-N 394.494 3.950 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2-n2ccnc2)cc1OC 20487007 VCIVHMNYUDHWHJ-HNNXBMFYSA-N 397.500 3.687 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1Cl 21699269 ZIPPKXFLMNGJLW-CYBMUJFWSA-N 378.881 3.506 0 40 GHAB C[C@@H](OC[C@H](O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccc(Cl)cc1 23401216 BYCCZDKUKJOPKR-CZUORRHYSA-N 398.846 3.935 0 40 GHAB O=C(CCNC(=O)c1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 24028420 NOAGTNJPMDCQEM-UHFFFAOYSA-N 393.468 3.759 0 40 GHAB CCc1ccc2c(CN3CCc4cc(OC)c(OC)cc4C3)cc(=O)oc2c1 25286213 NNKOHTRHDXDDIU-UHFFFAOYSA-N 379.456 3.931 0 40 GHAB Cc1cccc(N2CCN(CCCCNC(=O)C(C)(C)c3ccccc3)CC2)c1 26960796 LWCBEBAWBYRSOK-UHFFFAOYSA-N 393.575 3.991 0 40 GHAB Cc1ccc(N2C(SCc3cccc(C)c3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 32641228 ZXXDXUZVKYYCQZ-MOPGFXCFSA-N 386.542 3.578 0 40 GHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 32747156 NPNDODJZEXBFJF-SFHVURJKSA-N 393.830 3.997 0 40 GHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1c2c(nc3ccccc13)CCC2 32837354 BTWBMABLZDVXMB-UHFFFAOYSA-N 382.467 3.898 0 40 GHAB Cc1[nH]c2ccc(C(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)cc2c1C 32983133 LULWQMALNVEHCS-LJQANCHMSA-N 396.512 3.614 0 40 GHAB O=C(NCc1cccc(NC(=O)c2ccco2)c1)c1ccc(C(F)(F)F)cn1 36398517 NGKVADGCFOHUIW-UHFFFAOYSA-N 389.333 3.876 0 40 GHAB CC(C)(C)OC(=O)N1CCN(c2cnc(Br)c(Cl)c2)CC1 38252674 BNKKQWCOAQNLHV-UHFFFAOYSA-N 376.682 3.555 0 40 GHAB C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 40104374 NRFNPUDVPGJCFA-AWEZNQCLSA-N 392.463 3.523 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)c1C 40112268 PCOZWEIMJQFYFW-HNNXBMFYSA-N 381.520 3.996 0 40 GHAB COc1ccc(-n2nnc(C(=O)N[C@@H](C)c3cccc(OC(C)C)c3)c2C)cc1 40112803 AFNCTHJVOGIPOW-HNNXBMFYSA-N 394.475 3.863 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)NCc2ccc(Cl)cc2)cs1 40128071 JSIHXRWTACMVAL-UHFFFAOYSA-N 389.864 3.809 0 40 GHAB CSc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 40133769 UJGLNBKVRKIDAE-UKRRQHHQSA-N 390.940 3.946 0 40 GHAB CN(CC(N)=O)c1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 40139241 AAHNWEPMEPODIE-VAWYXSNFSA-N 378.501 3.662 0 40 GHAB COc1ccc(Br)c(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c1 40152547 UVLVPESILNUWFX-UHFFFAOYSA-N 387.237 3.804 0 40 GHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(O)cc2)n2ncnc2N1 40484556 QCDDQVBHYDMMAA-QGZVFWFLSA-N 381.823 3.565 0 40 GHAB O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)Nc1cccs1 44006001 IJKGBQOIDVALBL-UHFFFAOYSA-N 376.457 3.953 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N(C)Cc2sccc2C)cc1 51873749 VLDGRAJQMOGAAK-UHFFFAOYSA-N 388.518 3.645 0 40 GHAB O=S1(=O)CC[C@@H](NCc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 52915947 OGMHOYOZPJWRIX-OAHLLOKOSA-N 385.407 3.774 0 40 GHAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(Br)cc2)cc1 67197436 AZXMSJBVANEJCZ-ZDUSSCGKSA-N 376.250 3.792 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)Nc1[nH]ncc1-c1ccc2c(c1)OCO2 72303609 BDFUXVXBQXYERA-UHFFFAOYSA-N 385.807 3.785 0 40 GHAB COCCC(=O)N1CCCC[C@H]1Cc1c(C(=O)N(C)C)sc2ccccc12 72370521 NUSAFERILGALRS-HNNXBMFYSA-N 388.533 3.563 0 40 GHAB O=C1CCCc2cc(C(=O)NCCc3coc(-c4ccc(F)cc4)n3)ccc2N1 84421598 FQTZLZHJZLMIHM-UHFFFAOYSA-N 393.418 3.728 0 40 GHAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCC(c2ccc(O)cc2)CC1 84752638 UADRSXSMLQIFHF-QHCPKHFHSA-N 392.499 3.634 0 40 GHAB Cc1nc(=O)[nH]c(C)c1CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 89525966 SOZCBSOVZPRBCB-UHFFFAOYSA-N 393.409 3.534 0 40 GHAB CSc1nccn1-c1ccc(C(=O)N2CCCN2C(=O)OC(C)(C)C)cc1 95448332 GACJPRUOBYJXQW-UHFFFAOYSA-N 388.493 3.592 0 40 GHAB O=C(c1nc(OCC2CC2)c2ccccc2n1)N1CC[C@H](Nc2ccccc2)C1 95468841 IEDUHDDVXPQXPK-SFHVURJKSA-N 388.471 3.745 0 40 GHAB CC(C)(C)c1nc(CC(=O)N2CCOc3ncc(Br)cc32)cs1 96014105 LZPXDZOCWVPOIO-UHFFFAOYSA-N 396.310 3.566 0 40 GHAB Cc1cccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c1C 102592131 PGELIPHLLONTLO-USNOLKROSA-N 387.435 3.834 0 40 GHAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc2c(c1)Cc1ccccc1-2 103017349 QAKDEVQUYGZHTO-SFTDATJTSA-N 388.467 3.762 0 40 GHAB Cc1cc(C(=O)OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)n1Cc1ccco1 105888654 KCFHBMMZLPQBBC-CAIZAGQASA-N 398.503 3.844 0 40 GHAB Cc1cccc(N(CCCC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c1C 113961909 AZUJYBBVZNWGTM-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc(S(C)(=O)=O)cc1 219551910 XMNLSBIHPFIBCJ-JXFKEZNVSA-N 389.517 3.742 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 223011210 MSWRXVPXBZTZRM-HXUWFJFHSA-N 382.504 3.544 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(OC)cc3)nc2C)cc1 223143816 MEXYWJNCCBQGDW-UHFFFAOYSA-N 391.427 3.890 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 223890896 FYUPIMNZUJXLIX-MSOLQXFVSA-N 382.570 3.791 0 40 GHAB CC(C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223976030 YOGPWTRNZAKHRC-UHFFFAOYSA-N 380.897 3.917 0 40 GHAB CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224840274 YDOJXECHLMZQKG-UHFFFAOYSA-N 387.379 3.692 0 40 GHAB c1ccc(-c2noc(-c3cncnc3NCCN3CCc4ccccc4C3)n2)cc1 225577938 IHEDHINTTYGSOJ-UHFFFAOYSA-N 398.470 3.664 0 40 GHAB COc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)C)c1 225666181 SELIPKCGLLAXLK-IBGZPJMESA-N 396.531 3.796 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCCCC2)n1 225889424 BAKAJWPSVALLCA-UHFFFAOYSA-N 390.601 3.932 0 40 GHAB S=C(NCc1ccccc1)Nc1nc(N2CCCCC2)cc(N2CCCC2)n1 225926903 RYPUWRLJXLVQIW-UHFFFAOYSA-N 396.564 3.554 0 40 GHAB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)c(C)c1 225974578 KHRHRKZEQJWHMF-UHFFFAOYSA-N 380.897 3.913 0 40 GHAB COCCC(=O)N[C@]1(C)C[C@H](c2ccc(OC)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257216352 CUELFYGKZZJNSG-YCSCGVHMSA-N 375.509 3.873 0 40 GHAB COc1cc([C@H]2C[C@@H](NC(C)=O)CC3(CCCCC3)O2)cc2c1OCCCO2 257226462 FKSBYFBQXNQFNY-QZTJIDSGSA-N 389.492 3.916 0 40 GHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4)OCC[C@@]31C2 257257795 KRDIBDJWPCSTCC-XUKPVSMISA-N 375.484 3.861 0 40 GHAB CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 257301828 SACMWWAHJFCBGD-SFHVURJKSA-N 396.535 3.813 0 40 GHAB CCc1nccn1CC(=O)N1CCC[C@@]1(C)c1ncc(Cc2cccc(F)c2)o1 257328864 XHKGIUVUQONRDS-QFIPXVFZSA-N 396.466 3.701 0 40 GHAB c1cc(N2CCCC2)n2cc([C@@H]3CN(C4CCC4)CCN3CC3CC3)nc2c1 306141245 VPODVXDWODDIOT-NRFANRHFSA-N 379.552 3.556 0 40 GHAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 408557547 NPFDSLLBPGEHSJ-UHFFFAOYSA-N 384.841 3.718 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OC 408585017 ALKAEIFLRSBXPJ-UHFFFAOYSA-N 384.841 3.718 0 40 GHAB O=C1N/C(=C/c2cc(Br)cs2)C(=O)N1Cc1ccc(F)cc1 409016532 DDURRCISCARAPI-AWNIVKPZSA-N 381.226 3.743 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O)Nc1cccc(F)c1 409231519 KXOMSKJSQXNICZ-CAOOACKPSA-N 395.415 3.982 0 40 GHAB COc1cccc2nc(C[C@H]3CN(Cc4ccccc4)CC[C@H]3CC(=O)O)[nH]c12 514289440 UJBQIPGYRYRHCD-ROUUACIJSA-N 393.487 3.727 0 40 GHAB biogenic,in-vitro CCOC[C@@H]1CN(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CCO1 527636086 VVHDOOBDPSAYEA-QWRGUYRKSA-N 379.259 3.640 0 40 GHAB O=C(NCc1nccc(C(F)F)n1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 567582066 CUZSMHGIMOVPQD-HNNXBMFYSA-N 386.406 3.727 0 40 GHAB Cn1cc(-c2ccc(CNC(=O)c3nc(-c4cccs4)cs3)cn2)cn1 575616391 LZOCMHFJVDSMCA-UHFFFAOYSA-N 381.486 3.597 0 40 GHAB Cc1cc(CN2CCC[C@@]3(CCCN3C(=O)c3cc(C(C)C)on3)CC2)n(C)n1 585100840 YNRAXWUTJKMHAK-JOCHJYFZSA-N 399.539 3.501 0 40 GHAB CCCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CC(F)C1)C2 585107135 PUAZDRANPQCXDV-XWTGJVNOSA-N 382.483 3.668 0 40 GHAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc(F)cc1Cl 585111318 OGFDWTXDATXDBD-LJQANCHMSA-N 399.853 3.768 0 40 GHAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)n2)s1 585262487 BEGUZUWXWYJNDG-AWEZNQCLSA-N 376.482 3.899 0 40 GHAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCN2C(=O)/C=C/c2cccnc2)n1 585293013 RDVUWOVEAYDYMX-UCFODXPJSA-N 386.459 3.614 0 40 GHAB Cc1cc(C(F)(F)F)ncc1NC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H](C)O1 622873184 FHUJYJOMNFXONA-RHSMWYFYSA-N 393.409 3.637 0 40 GHAB Cn1ncc(NC(=O)N2CC(Cc3ccccc3Br)C2)c1C(F)F 626461983 CXODXPLCIVRUOJ-UHFFFAOYSA-N 399.239 3.827 0 40 GHAB COc1cc(NC(=O)NCc2cc(Br)cnc2OC)c(C)cc1C 626548810 HFCHEXXKWBYACO-UHFFFAOYSA-N 394.269 3.800 0 40 GHAB CC(C)Oc1ccc(CNC(=O)N2C[C@H](C)[C@@](C)(CO)C2)c(C(F)(F)F)c1 663932035 RWLZMKKRUZEYTK-SCLBCKFNSA-N 388.430 3.653 0 40 GHAB Cc1csc(C(=O)N2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)c1 1888897482 GPJIXRUOIYKVKJ-UHFFFAOYSA-N 399.491 3.766 0 40 GHAB FC(F)(F)c1ccc(N2C[C@H]3CN(c4cnc5ccccc5n4)C[C@@H]3C2)nc1 1888899259 AAKZLUPOUNAOMZ-KBPBESRZSA-N 385.393 3.616 0 40 GHAB Clc1ccc2nc(N3CCCN(c4ccc5nccn5n4)CC3)sc2c1 2086868784 IVOVZAFVPJEQPR-UHFFFAOYSA-N 384.896 3.709 0 40 GHAB Cc1nc(CN2CCCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)cs1 2087023460 FGIMXFHKNJKRMG-UHFFFAOYSA-N 384.553 3.504 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1 1343625 HFVZDNBQADBLQU-IBGZPJMESA-N 395.459 3.841 0 40 GHAB COc1cc(CC2CN(c3cc(C)nc(-c4ccncc4)n3)C2)cc(OC)c1 79064126 RSGWQLTXJOPXTP-UHFFFAOYSA-N 376.460 3.543 0 40 GHAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1ccc2c(c1)OCO2 79477970 AKCZQNJGMJMCTE-UHFFFAOYSA-N 375.340 3.805 0 40 GHAB Cc1ccc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)c1 2622493 VXBKCHDVAAVXPG-UHFFFAOYSA-N 398.462 3.982 0 40 GHAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 103456707 SUPVLEYLMAUXMM-OBJOEFQTSA-N 387.833 3.839 0 40 GHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 628275 PJEVGGOOCSFNFB-UHFFFAOYSA-N 392.260 3.820 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 3386913 YQEOGOQBYHMQPV-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB O=C(NCCc1cccc2cccnc12)c1ccc2c(O)[nH]c(=S)nc2c1 47073849 QBBPMRDSGNSJNR-UHFFFAOYSA-N 376.441 3.519 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)c(OC)c1 779159 URSUQDINRASMOA-UHFFFAOYSA-N 398.488 3.539 0 40 GHAB CCCCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccoc1C 4860277 FTRFZVCPMJINPA-UHFFFAOYSA-N 376.526 3.997 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NCc2ccccc2)n1 6464186 YVTTUTYRIKHHFS-UHFFFAOYSA-N 388.880 3.542 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)N1CCCCCC1 7360816 GTEKUTYIZOZIJH-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOC)CC1=O 7543667 FJNOGWCZXVYIRR-INIZCTEOSA-N 379.460 3.602 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 23228752 LPQFOKAVVWOBDL-LBPRGKRZSA-N 380.872 3.942 0 40 GHAB COc1cccc(CN2CCc3nc4cc(-c5ccoc5C)nn4c(O)c3C2)c1 100752971 DFVMVTZUMUVXOS-UHFFFAOYSA-N 390.443 3.570 0 40 GHAB O=C(Nc1ccc(I)cc1C(F)(F)F)C(F)(F)F 8071176 PDJABZPIAUFUEZ-UHFFFAOYSA-N 383.029 3.811 0 40 GHAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@H]1CCCc2ccccc21 8126982 CKSWHMSJEFMBNE-KRWDZBQOSA-N 397.544 3.674 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)c1 100556476 UEELNKUVRSLMNQ-LDSOLPTJSA-N 390.911 3.670 0 40 GHAB O=C(Nc1ccc(Cl)cc1)Nc1snnc1C(=O)NC1CCCCC1 1417000 VISORPPDGOITQP-UHFFFAOYSA-N 379.873 3.898 0 40 GHAB COc1ccc(C(=O)O)cc1NC(=O)c1cc(Br)cc(C)c1OC 20143089 UDCHDILTNQBDKS-UHFFFAOYSA-N 394.221 3.725 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 44016777 AHYFEWNQIBCVFM-OAHLLOKOSA-N 376.464 3.818 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100117526 XJBXMVVYKZCECZ-MOZIXCSXSA-N 381.520 3.669 0 40 GHAB COc1cccc(N2CCN(CC(=O)c3c[nH]c4ccc(OC)cc34)C[C@H]2C)c1 35369252 FFOGHMHNHUPCKW-MRXNPFEDSA-N 393.487 3.579 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c(-c2ccc(F)cc2)n1 57477874 GGLYQQUPANDYRN-UHFFFAOYSA-N 385.826 3.958 0 40 GHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12613599 FGADEGOURGBPEL-KRWDZBQOSA-N 396.535 3.537 0 40 GHAB O=C(COC(=O)c1cc2c(s1)CCCCC2)N[C@@H]1CCOc2ccccc21 27125286 VPJKQQSCVDSQSZ-MRXNPFEDSA-N 385.485 3.814 0 40 GHAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1 57993188 UUJPVYXQSMVQTK-INIZCTEOSA-N 381.904 3.658 0 40 GHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 44687234 HGWLMKZXUCIRAO-GOSISDBHSA-N 395.434 3.717 0 40 GHAB CCOC(=O)N1CCN(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC1 58048669 IBALPWJPPMSALH-UHFFFAOYSA-N 394.903 3.636 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)NC2(c3ccc(F)cc3)CCCC2)CC1=O 58296858 IGIREXYQNKPUTR-MRXNPFEDSA-N 396.462 3.773 0 40 GHAB O=C(Cn1ccccc1=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 12795415 BHRXWGUEHNRJIQ-UHFFFAOYSA-N 394.283 3.841 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)c1 12757728 YOVBPTITWOALFN-HUUCEWRRSA-N 397.471 3.958 0 40 GHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 12759357 TVIDULQUTWSMHH-OAHLLOKOSA-N 397.500 3.847 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)N(Cc1ccc(O)cc1)Cc1ccco1 58310015 DQWKCGQYHBKADL-UHFFFAOYSA-N 380.400 3.626 0 40 GHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1(C)C 58427501 XCWCMOFNDOWIHB-QUCCMNQESA-N 390.487 3.721 0 40 GHAB C[C@H]1CCCC[C@@H]1Nc1nnc(SCC(=O)NCc2ccccc2)s1 3337722 PTJUBCGQXGUQBK-ZFWWWQNUSA-N 376.551 3.937 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)N(Cc1cccs1)c1ccc(F)cc1 55726483 NQGVBXKWXACWQT-UHFFFAOYSA-N 393.443 3.831 0 40 GHAB Cc1cccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 10447577 ZZXIRHGFCDKHNK-UHFFFAOYSA-N 394.496 3.507 0 40 GHAB Cc1cc(OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)ccc1C(C)C 10774441 XEKLBRPYFFEJSZ-UHFFFAOYSA-N 394.515 3.918 0 40 GHAB COc1ccccc1-n1nnnc1SCc1ccccc1Br 10883884 SYKCWGWQMXXAGN-UHFFFAOYSA-N 377.267 3.726 0 40 GHAB CCOc1ccc(CC(=O)N2CCCc3c(C(=O)NC(C)C)cccc32)cc1 11076644 CCFDVSIEWIFLCM-UHFFFAOYSA-N 380.488 3.745 0 40 GHAB COC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=S)n2-c1cccc(C)c1C 36614374 BIQLKAWZIFEYLZ-UHFFFAOYSA-N 381.457 3.724 0 40 GHAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc1 2427644 URBQGTLWJKAVSO-UHFFFAOYSA-N 399.495 3.826 0 40 GHAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccc2c(c1)OCCO2 29081692 MNOPOSPVDVULAF-UHFFFAOYSA-N 386.354 3.962 0 40 GHAB COc1ccc(O[C@H](C)C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 11605939 UJKKMXBPTUFAKA-KUHUBIRLSA-N 399.516 3.949 0 40 GHAB COc1ccc(CNC(=O)c2csc(-c3cccc(OC)c3OC)n2)cc1 29506921 GLRIHCWGOILMAY-UHFFFAOYSA-N 384.457 3.766 0 40 GHAB CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc2c(c1)CCN2C(C)=O 12980364 SGNCCSZEERICEP-GOSISDBHSA-N 383.517 3.605 0 40 GHAB Cn1c(S[C@@H](C(N)=O)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 8744842 YLWYPCZPBSILSY-CQSZACIVSA-N 376.844 3.593 0 40 GHAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 409243132 YWKLHDYANSJCDG-GZTJUZNOSA-N 384.407 3.716 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 9551983 SCCKMLPQQNCWME-CQSZACIVSA-N 396.443 3.986 0 40 GHAB Cc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCCN(C)C)c(=N)c32)cc1 5349091 MWNKLCJRRUZKCY-FQEVSTJZSA-N 390.487 3.614 0 40 GHAB O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccco1 4555109 OZHSKZAQMYCYBR-HSZRJFAPSA-N 375.424 3.720 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCCCn1c(=O)[nH]c2ccccc21 6582836 CYEAEQCHCUXXFE-UHFFFAOYSA-N 393.516 3.714 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)c1 408666942 APKKQRMRYSQWFH-BJZITVGISA-N 392.455 3.873 0 40 GHAB Cc1ccc(NC(=O)Cc2ccsc2)cc1S(=O)(=O)N1CCCCCC1 7016191 SYZMFIKNKQITFR-UHFFFAOYSA-N 392.546 3.802 0 40 GHAB Nn1c(SCC(=O)c2ccccc2)nc2cc(-c3ccccc3)sc2c1=O 19797134 XXXZNCXYQOXUQC-UHFFFAOYSA-N 393.493 3.814 0 40 GHAB NC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 8093750 ZMGCYHVMEBPRTM-CQSZACIVSA-N 380.473 3.807 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(-n2cccc2)cc1 8183701 SDCHSUUKYNIISA-UHFFFAOYSA-N 375.472 3.586 0 40 GHAB Cc1ccccc1-c1cc(C(=O)N2CCO[C@H](C)C2)c2cnn(C(C)C)c2n1 9757259 ZAHZANVSNMGFMI-MRXNPFEDSA-N 378.476 3.849 0 40 GHAB COc1ccc2[nH]cc(CCNC(=O)CCn3ccc4c(OC)cccc43)c2c1 72325887 OZVTYFRRWLVBBT-UHFFFAOYSA-N 391.471 3.889 0 40 GHAB biogenic CCCN(CCC)CN1C(=O)S/C(=C/c2cc(OC)ccc2OC)C1=O 408726849 VMYSAUIWYISNFN-SFQUDFHCSA-N 378.494 3.820 0 40 GHAB CCC(=O)N1CCc2cc(C(=O)N[C@@H]3CCCC[C@H]3OC3CCCC3)ccc21 89941729 WUUHYKBBTDLTIJ-TZIWHRDSSA-N 384.520 3.986 0 40 GHAB CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCCCC2)C1=O 408600529 CNOASBDBQQNEAF-GHRIWEEISA-N 388.489 3.524 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 27752431 HZGWBRXMBKMFKP-KWJFTMPMSA-N 398.503 3.523 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 64595438 MVFDHLOUQYMDNZ-UHFFFAOYSA-N 392.546 3.593 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)N(C)C[C@H]1COc2ccccc2O1 32346160 PYCWRLCOTXNKTN-KRWDZBQOSA-N 376.456 3.693 0 40 GHAB O=C(Cc1cccs1)Nc1ccc2sc(C(=O)N3CCOCC3)cc2c1 408713181 NELPRYVDNRKPTE-UHFFFAOYSA-N 386.498 3.616 0 40 GHAB O=C(c1cncc(N2CCOCC2)c1)N1CC2(CCCC2)c2c(F)cccc21 534563311 KWNXZGAKPGLZAG-UHFFFAOYSA-N 381.451 3.530 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@@H]2CCCN(C(=O)c3snnc3C)C2)n1 72362664 TWIZXLJZCYLEJO-OAHLLOKOSA-N 395.488 3.757 0 40 GHAB CCOc1ccc(NC(=O)CNC(=O)Cc2coc3cc(C)c(C)cc23)cc1 72427614 MBDBJPSGMIPFDJ-UHFFFAOYSA-N 380.444 3.746 0 40 GHAB O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 38851255 BUSYKZFZXQNJFY-LJQANCHMSA-N 399.485 3.526 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc(-c3ccccc3)on2)c(C)c1 30396128 WWSMBXUMPSXHAG-UHFFFAOYSA-N 377.444 3.978 0 40 GHAB COC(=O)[C@@H](CCSC)NC(=O)c1cn(Cc2ccccc2)c2ccccc12 15760777 IZORIURWEFYZMI-LJQANCHMSA-N 396.512 3.714 0 40 GHAB biogenic CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 44845425 QSYSCLCZXIRNAL-GOSISDBHSA-N 399.443 3.673 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)N1CCC(c2cccc(-n3ccnc3)n2)CC1 72378903 KOWRXBRSXKEMKO-UHFFFAOYSA-N 385.471 3.697 0 40 GHAB COc1cccc(C2(CNC(=O)N3CC[C@@H](n4cc(C)cn4)C3)CCCC2)c1 564614485 SQGLNLAHCVJULW-LJQANCHMSA-N 382.508 3.669 0 40 GHAB CC(C)OCCCNC(=O)C1CCN(Cc2cccc(Br)c2)CC1 47753391 CAIBBJVTRSISRT-UHFFFAOYSA-N 397.357 3.592 0 40 GHAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 225692180 PHVCFGBUHADQQQ-OAQYLSRUSA-N 376.497 3.612 0 40 GHAB CN(C(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1 222678352 IZMKSPKTHVXZOU-UHFFFAOYSA-N 396.468 3.529 0 40 GHAB COc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1Cl 225748728 JAWWARUEFRCQSQ-UHFFFAOYSA-N 378.215 3.982 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 223650587 XUNMUUYXZHMJRR-UHFFFAOYSA-N 390.530 3.835 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1 225631748 XITJMQKIWSXDQK-UHFFFAOYSA-N 398.937 3.630 0 40 GHAB Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1C 224109394 SAEYLFXIPILHQH-HXUWFJFHSA-N 396.531 3.872 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc2c(c1)OCCO2 222645490 SQCNZIZNQZYJIW-SFHVURJKSA-N 397.471 3.818 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)c(C)c1 225495332 MMVDNEKOHXEGRD-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB O=C(COc1ccc(Cl)cc1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225738010 MFHKONPBMNPPJY-SFHVURJKSA-N 382.847 3.947 0 40 GHAB Cc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccccc2)cc1C 225186596 ROHISNMXAJCVAF-SFHVURJKSA-N 388.533 3.659 0 40 GHAB CN(Cc1nc(-c2ccccc2)no1)C(=O)COc1cccc(C(F)(F)F)c1 225815120 FSYKNGMPWUMGHE-UHFFFAOYSA-N 391.349 3.793 0 40 GHAB Cc1ccc(CN(C(=O)COc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 224204779 IRAXFBGGMDRQGR-HXUWFJFHSA-N 396.531 3.872 0 40 GHAB OCCNCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12 95190922 KHTUYLDLVOHSQM-UHFFFAOYSA-N 384.907 3.744 0 40 GHAB O=C(C[C@@H]1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21)N1CCCC1 96242119 ATKFXYYECMWISP-LJQANCHMSA-N 395.547 3.736 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1C[C@H]2CN(Cc3ccccc3Cl)[C@H]2C1 96244876 BXCIPSYHFXRPMJ-APWZRJJASA-N 375.299 3.879 0 40 GHAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl 243511406 NYBAZEUJTBSSNI-UHFFFAOYSA-N 393.679 3.564 0 40 GHAB Cc1nccn1Cc1cccc(-c2noc([C@@H](C)NC(=O)CC(C)(C)C)n2)c1 585084039 JMJIVSNLTNIXPS-CQSZACIVSA-N 381.480 3.903 0 40 GHAB O=C1CC[C@@H](NCc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C2(CCC2)N1 585080398 GKUYQTQWQYZHGT-LJQANCHMSA-N 397.906 3.883 0 40 GHAB Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)Cc3ccccc3F)CCO2)n1 257308717 TXVRCNISJWSZOE-FQEVSTJZSA-N 395.434 3.635 0 40 GHAB Cc1ncsc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1 257285735 PIONFUHJJFECEP-HDJSIYSDSA-N 383.477 3.600 0 40 GHAB C[C@]12CCCN(C(=O)c3ccc(Cc4cccc(F)c4)nc3)[C@H]1CCCCN2 257241694 HZDVVCWQHNMJFC-GMAHTHKFSA-N 381.495 3.948 0 40 GHAB CN(C[C@H]1C[C@@H](O)C1)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 626544082 FWHCUCXVGDQVDS-GSJFWJNXSA-N 397.262 3.810 0 40 GHAB Cn1nc(-c2nnc(C(C)(C)Oc3cccc(Cl)c3)o2)c2ccccc2c1=O 1117214961 CXNBBBMAUQEQJZ-UHFFFAOYSA-N 396.834 3.951 0 40 GHAB O=C(c1ccc2nsnc2c1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119088 GYOOENWHRPICKS-LBPRGKRZSA-N 397.485 3.823 0 40 GHAB CC[C@@](CNS(=O)(=O)c1ccc(OC)c(Cl)c1)(OC)c1ccccc1 96123780 OSFQHRXRSIDMOC-SFHVURJKSA-N 383.897 3.579 0 40 GHAB Ic1ccc(NCc2nnc(-c3ccccc3)o2)cc1 18937080 SMICJMYHOSIJDR-UHFFFAOYSA-N 377.185 3.953 0 40 GHAB CC[C@H](Cc1ccc(C)cc1)N(C)c1ncnc2c1c(Br)nn2C 78903507 SZEUBKSILFUIHT-CQSZACIVSA-N 388.313 3.892 0 40 GHAB COC(=O)c1cc(CNc2cccc(Cl)c2N2CCOCC2)c(C)s1 79094720 HKGVCCPYAMCZJE-UHFFFAOYSA-N 380.897 3.945 0 40 GHAB O=C(CCCCCn1nnc2ccccc2c1=O)Nc1ccc(F)c(Cl)c1 5206519 UAPSIPKMIRIFLG-UHFFFAOYSA-N 388.830 3.783 0 40 GHAB C[C@@H](NC(=O)c1ccccc1F)c1nc2cc(-c3ccccc3F)ncn2n1 12085068 YNTXLXYUZAPBQX-GFCCVEGCSA-N 379.370 3.561 0 40 GHAB Cc1nc2c(-c3cccs3)c(C)nn2c(NCCCN2CCCC2=O)c1C 12113371 ANNNTAREWJBMMH-UHFFFAOYSA-N 383.521 3.807 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 12391166 WJPZTSOARNYSMN-UHFFFAOYSA-N 389.411 3.607 0 40 GHAB CC(=O)N1C(=O)[C@@]2(S[C@H](C)C(=O)N2c2ccc(Cl)cc2)c2ccccc21 12416889 IABITACYUQTLID-WYRIXSBYSA-N 386.860 3.554 0 40 GHAB CN(C)C[C@@H](NC(=O)c1c[nH]c2ccc(Br)cc12)c1ccccc1 12907320 UIEWYEFHDLRQHH-GOSISDBHSA-N 386.293 3.963 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OC 14001209 QXRUQUPCPDTYSZ-ACCUITESSA-N 394.471 3.982 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ncc(Cc2ccccc2)s1 14779292 PMXNOZZBOSNTKG-UHFFFAOYSA-N 375.453 3.799 0 40 GHAB O=C(c1ccc(Cn2cccn2)o1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 19375758 OXDBOSUHEYJFMC-GOSISDBHSA-N 375.432 3.768 0 40 GHAB CCc1oc(C(=O)NC2(c3ccccc3)CCCC2)cc1CN1CCOCC1 19521501 XXPJVRLVPDRWMJ-UHFFFAOYSA-N 382.504 3.874 0 40 GHAB CCn1cc(-c2cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c3ccccc3n2)cn1 19716530 HBGWGQYWOIGCEN-AWEZNQCLSA-N 388.475 3.651 0 40 GHAB COc1ccc2c(c1)N(C(=O)c1cc(C)n(-c3ccc(F)cc3F)n1)CCO2 157750670 MVEXQCSLOHCSAE-UHFFFAOYSA-N 385.370 3.507 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3nc2Cl)CC1 2388136 CUWOBJUBHTTXEP-UHFFFAOYSA-N 387.270 3.899 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1C(F)(F)F 5578914 XWDRAXFTQDYZKB-UHFFFAOYSA-N 383.322 3.762 0 40 GHAB CC(=O)c1ccccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 6607164 UHUMCWIIAPONRF-VAWYXSNFSA-N 376.456 3.780 0 40 GHAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1cc(-c2ccccc2)on1 238859512 KKGUSXZJGFTXLH-FQEVSTJZSA-N 380.425 3.662 0 40 GHAB COc1ccc(Nc2nc(Nc3cccc(C)c3)nc(N3CCOCC3)n2)cc1 4329742 KOPRJFAFTPHXEI-UHFFFAOYSA-N 392.463 3.512 0 40 GHAB O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1Br 4497482 BFIGFVLEMONQBE-LBPRGKRZSA-N 393.668 3.638 0 40 GHAB CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 4722706 QHRYYIWWVCYYGL-WTGUMLROSA-N 378.497 3.733 0 40 GHAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 9036709 XWZCBXPWCPCSLA-UHFFFAOYSA-N 390.439 3.804 0 40 GHAB Cc1ccc(NC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1 22506360 KFKGLOURRIUHOD-UHFFFAOYSA-N 379.869 3.832 0 40 GHAB Cc1cccnc1OCC1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 585526516 JZTAYRMXRSPETK-UHFFFAOYSA-N 394.515 3.756 0 40 GHAB Cn1cc([C@H]2CN(C(=O)c3cccc(Br)c3)Cc3ccccc32)cn1 585406404 CCAOLTDVLWQKCV-LJQANCHMSA-N 396.288 3.971 0 40 GHAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccc(Br)o1 5154074 MPYQNLFJPLUWDY-UHFFFAOYSA-N 375.222 3.520 0 40 GHAB CCc1ccc([C@@H](CNC(=O)CCCc2nc3ccccc3[nH]2)N(C)C)cc1 40087096 FFTXWUXUXICMTB-OAQYLSRUSA-N 378.520 3.867 0 40 GHAB Cc1nc(-c2ccc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)cc2)oc1C 40158012 MFUHJUMBDOHEKV-UHFFFAOYSA-N 397.456 3.644 0 40 GHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1CCC(=O)NCCOc1ccccc1Cl 100167687 OOPVGCYERJXBMK-QGZVFWFLSA-N 399.878 3.654 0 40 GHAB Cc1nc(-c2cc3ccc(OCC(=O)Nc4nccs4)cc3oc2=O)cs1 20733249 MGJVSMASOVNLIW-UHFFFAOYSA-N 399.453 3.699 0 40 GHAB COc1cccc(-n2nnc(-c3nnc(Cc4ccc(Cl)cc4)o3)c2C)c1 20730407 GNGJFAXOFLOPAD-UHFFFAOYSA-N 381.823 3.879 0 40 GHAB Cc1nc2sc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c(C)c2c(=O)[nH]1 32983733 NYMHRSGSLDSEIQ-UHFFFAOYSA-N 397.456 3.895 0 40 GHAB COc1ccc(Nc2ccccc2NC(=O)c2cccc(-n3cnnn3)c2)cc1 32981907 BIPMCBOTNGDMKH-UHFFFAOYSA-N 386.415 3.667 0 40 GHAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)C(C)(C)C)cc(Cl)c1O 716216 NQCWSTXSEFWPAN-ZUZCIYMTSA-N 396.871 3.660 0 40 GHAB COc1cccc(C(=O)N2[C@@H](C(=O)O)CS[C@@H]2c2ccccc2Cl)c1 729680 FVPGLRWDDAAXCV-NVXWUHKLSA-N 377.849 3.690 0 40 GHAB COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc(Cl)cc1 866285 QFPNULUCLCBOMU-UHFFFAOYSA-N 391.876 3.576 0 40 GHAB COc1ccc(OCc2nnc(SCC(=O)OC3CCCCC3)o2)cc1 876119 SSIOPAINDLUXAU-UHFFFAOYSA-N 378.450 3.625 0 40 GHAB COc1cc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc(OC)c1OC 1016818 OBXYOJFQRZOOIO-OAHLLOKOSA-N 396.399 3.890 0 40 GHAB COC(=O)c1ccccc1NCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 2120338 KFYDVMBRCAETEY-YBEGLDIGSA-N 386.404 3.718 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(OC(F)(F)F)cc1 2582129 IBHGQCZJYJLIHW-UHFFFAOYSA-N 395.362 3.553 0 40 GHAB CCN(Cc1ccccc1)C1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 2734606 SRYRFNRZFCIFBM-UHFFFAOYSA-N 384.520 3.896 0 40 GHAB CCN(Cc1ccccc1)C(=S)NC(=O)c1ccccc1Br 3257428 PUROQGMUQKPLAF-UHFFFAOYSA-N 377.307 3.986 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1C 3361921 WVMVQLQIZQSIFR-IBGZPJMESA-N 383.469 3.841 0 40 GHAB Cc1ccc2c(c1)C(=O)O[C@H](C(=O)Nc1ncc(Cc3ccccc3)s1)C2 4292104 SPNBXVBGXOHUCJ-SFHVURJKSA-N 378.453 3.763 0 40 GHAB Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 4496128 SAHZSNYIVOZHPP-UHFFFAOYSA-N 390.461 3.670 0 40 GHAB C[C@@H]1C(=O)[C@@H](C)[C@H]2N[C@@H]1c1ccccc1OCCOCCOc1ccccc12 4786523 AGAKQAUZOOAOIV-WWLNLUSPSA-N 381.472 3.701 0 40 GHAB C[C@H]1CCCN(C(=O)CSc2nnc3c4ccccc4nc(C(C)(C)C)n23)C1 4898232 OSZOCINIIUPWJR-AWEZNQCLSA-N 397.548 3.926 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccc3ccccc3c2)c2ccccc21 4987870 PXCQDGCPCJIMHI-XMMPIXPASA-N 389.451 3.822 0 40 GHAB O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)Nc1cccc2ccccc12 5155059 GQFADVRCVZYYAW-UHFFFAOYSA-N 379.363 3.673 0 40 GHAB Cc1c(C)c2cc(Cl)c(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc2oc1=O 6073263 IOCSWEXUJAAYME-LLVKDONJSA-N 395.839 3.882 0 40 GHAB biogenic CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)c1 6243293 YNROXYMEEPKQGN-ZDUSSCGKSA-N 385.489 3.949 0 40 GHAB CCCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 6320212 XZNCLULIWZPMOA-UHFFFAOYSA-N 394.924 3.842 0 40 GHAB CCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccc(Cl)cc1 6764362 OOUURHBKDNGZJQ-UHFFFAOYSA-N 391.880 3.909 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 6946419 ZIHDQUSHJVCYHJ-INIZCTEOSA-N 392.496 3.634 0 40 GHAB CN1CCN(c2nc3ccc(OC(=O)c4ccc(Cl)s4)cc3s2)CC1 7512867 KXZOUQPMJUCFBP-UHFFFAOYSA-N 393.921 3.982 0 40 GHAB CCc1cccc(NC(=O)c2ccccc2S[C@@H]2CCS(=O)(=O)C2)c1 7920744 OPPAHEQLKGGERE-MRXNPFEDSA-N 375.515 3.781 0 40 GHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)C(F)(F)F)c1 8412419 RKGIWKBJYKZELW-UHFFFAOYSA-N 394.349 3.545 0 40 GHAB Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)Nc1c(C)cccc1C 8433694 NCHJVILTVJDJNY-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(CCN(C)C)C3=O 8549487 GQRPZOWIGJNYFB-FQEVSTJZSA-N 376.456 3.517 0 40 GHAB O=C1O[C@H](C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)Cc2ccccc21 8768047 UDGYQFTZDCJTEG-KRWDZBQOSA-N 382.416 3.593 0 40 GHAB CSc1nc2c3c(sc2c2nnc(SCCN(C)C)n12)CCCC3 8990797 PINFZOSPMPMUSI-UHFFFAOYSA-N 379.580 3.593 0 40 GHAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1cccc2ncccc12 9184545 LHSJHNRYKMTSIW-UHFFFAOYSA-N 392.846 3.667 0 40 GHAB CCN1CCC[C@@H]1CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 9305888 IZVNIWZADSCVHW-GOSISDBHSA-N 390.483 3.983 0 40 GHAB COc1ccc2nc3c(cc2c1)c(NC(=O)c1cccnc1)nn3CC(C)C 9348893 VRSBDKVQUSQPME-UHFFFAOYSA-N 375.432 3.896 0 40 GHAB CCCCCNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10357430 DZGQPAFHFBGBAA-UHFFFAOYSA-N 392.496 3.712 0 40 GHAB O=C(NC1CCN(Cc2cccc(F)c2)CC1)c1cnn(-c2ccc(F)cc2)c1 12201740 DGSVRXDVHWWRMQ-UHFFFAOYSA-N 396.441 3.545 0 40 GHAB Cc1nc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1 12507624 SSDOCUVCSXTITF-LLVKDONJSA-N 380.839 3.596 0 40 GHAB C[C@@H](NC(=O)Cn1nc(-c2cccs2)oc1=O)c1cccc2ccccc12 12567039 VVUXUNUKASTCCH-CYBMUJFWSA-N 379.441 3.595 0 40 GHAB CCn1c(C)cc(C(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)c1C 12567215 OJUANDUQUCMTTC-ZDUSSCGKSA-N 380.539 3.542 0 40 GHAB Cc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c(C)c1 12750130 DDUAFBAJSZRYOM-UHFFFAOYSA-N 379.456 3.810 0 40 GHAB CCCn1nc(C(=O)NCCCO[C@H](C)c2ccccc2)c2ccccc2c1=O 12773281 MCHCMECFTAXZLW-QGZVFWFLSA-N 393.487 3.704 0 40 GHAB COC(=O)c1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1 12941626 HSQXUNLJPNMYMJ-UHFFFAOYSA-N 393.418 3.929 0 40 GHAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c1)[C@H]1CCCO1 12987515 JJXQWGOUALFFHV-NHCUHLMSSA-N 378.472 3.651 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1 13058034 BOZRQYDAJANKIV-HNNXBMFYSA-N 387.911 3.650 0 40 GHAB COc1ccc(-n2ncc3c2C[C@H](c2ccc(OC)cc2OC)CC3=O)cc1 14164217 DNRWMNFKZSLGPQ-AWEZNQCLSA-N 378.428 3.811 0 40 GHAB Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccccc4)CC3)n2)cc1 17042629 JEPAXQKANMLPKO-UHFFFAOYSA-N 387.487 3.799 0 40 GHAB Cc1cc(-c2c[nH]nc2[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)on1 19121066 DCECLGUCMBLUQM-OAHLLOKOSA-N 392.868 3.552 0 40 GHAB Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)on1 19121373 GCBDDBVJSFUKPW-INIZCTEOSA-N 396.495 3.772 0 40 GHAB Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)c2cc(C(C)C)n[nH]2)c1C 19558200 RVHBFKRVAHAYCA-SFHVURJKSA-N 396.495 3.906 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CN(CCN(C)C)Cc1ccccn1 19578314 VMEVBWWRZVOUKE-UHFFFAOYSA-N 377.536 3.507 0 40 GHAB CN1CCN(Cc2ccccc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 19589647 XDDFXXBNAGMYRE-HSZRJFAPSA-N 385.511 3.882 0 40 GHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)C2CC2)C1 19591006 KVLZNDWIEPLUIK-JOCHJYFZSA-N 382.529 3.722 0 40 GHAB CN1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)c1cc(C2CC2)[nH]n1 19712959 JVZQBCDFKNFIOB-PTUXOGIPSA-N 392.547 3.987 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930555 KQECPKNCXXRNIY-UHFFFAOYSA-N 392.908 3.660 0 40 GHAB COc1cc(CNCc2ccccc2)ccc1Oc1nnnn1-c1ccccc1 20228738 FSAPQUYFWBADRB-UHFFFAOYSA-N 387.443 3.753 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)NCCSC2CCCCC2)c(Cl)c1 20456355 XBQDPDWOKRZTKZ-UHFFFAOYSA-N 390.958 3.507 0 40 GHAB C[C@H](C(=O)N(C)C1CCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 20483740 DPQAJQMEPYLOFZ-LLVKDONJSA-N 393.336 3.549 0 40 GHAB CCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccco2)n2c1nc1ccccc12 20638249 NQZJXEVGKNJOOX-MSOLQXFVSA-N 381.432 3.545 0 40 GHAB CC(C)c1nnc2ccc(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)nn12 20728214 LPDKTSWZJWVGGE-UHFFFAOYSA-N 398.898 3.756 0 40 GHAB O[C@@H](CN1CCN(Cc2csc(-c3ccsc3)n2)CC1)c1ccccc1 22547862 YBZHQBXPFWUNKB-IBGZPJMESA-N 385.558 3.723 0 40 GHAB O[C@@H](COC1CCCC1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22917982 JSOPRIGVHFYVKA-HSZRJFAPSA-N 394.559 3.714 0 40 GHAB C[C@@H]1CN(CCCNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@@H](C)O1 23509603 RCADCYLXYKKLIZ-IAGOWNOFSA-N 386.467 3.847 0 40 GHAB COc1ccc(CC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 24560111 LHFUFEIZHOFLKX-NRFANRHFSA-N 375.472 3.676 0 40 GHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 24843381 QOMJGZQOGVCUGA-PKOBYXMFSA-N 397.494 3.696 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 24986958 TZJKUYJYSBEYNV-ZIAGYGMSSA-N 398.454 3.780 0 40 GHAB Cc1c(C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)cnn1-c1ccccc1F 26486107 TVXRHQLGXHUQRE-OAHLLOKOSA-N 381.407 3.528 0 40 GHAB CCOC(=O)c1sc2ncnc(NC[C@H]3COc4ccccc4C3)c2c1C 26758693 SOJQWPLSQNABPN-ZDUSSCGKSA-N 383.473 3.840 0 40 GHAB CCOc1ccc(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)no2)cc1 27581274 KZSGQYMGKCWDDK-UHFFFAOYSA-N 396.443 3.730 0 40 GHAB biogenic CCn1nc(C)cc1NC(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 28244797 VUWVFPVOKPPUCZ-UHFFFAOYSA-N 393.369 3.716 0 40 GHAB Cc1c(C)n(C[C@H](O)CN2CCN(Cc3ccccc3)CC2)c2ccc(F)cc12 28297186 XQCJBSBZLWMDLH-JOCHJYFZSA-N 395.522 3.576 0 40 GHAB CCCCn1nc(C(=O)Nc2cc(OC)c(OC)cc2C)c2ccccc2c1=O 28700751 KLRAJJSBMRTZKV-UHFFFAOYSA-N 395.459 3.775 0 40 GHAB O=C(NCc1cc(F)cc(F)c1)c1nccnc1-c1nc2ccccc2s1 30159168 YNNAUTMSYFVQCJ-UHFFFAOYSA-N 382.395 3.962 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NS(C)(=O)=O)c1 31133874 VUUBKYKQLAMQFU-UHFFFAOYSA-N 382.869 3.508 0 40 GHAB CC[C@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1cccc(C(C)=O)c1 32579418 ONYREUQUXKWFEA-KRWDZBQOSA-N 395.488 3.589 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32967701 MTNYCPMOZRHXCX-QGZVFWFLSA-N 386.517 3.849 0 40 GHAB Cc1nn(C)c2ncc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cc12 36390620 BMCRNSSSQDMXEX-UHFFFAOYSA-N 388.402 3.899 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)N2CCCC2)o1 36392275 MMAODPBOCIAERW-UHFFFAOYSA-N 389.260 3.623 0 40 GHAB CC[C@H](C)n1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3cccs3)nc21 36617078 QJDKCDRCTHBNJB-VIFPVBQESA-N 375.475 3.940 0 40 GHAB Cc1ccc(Cl)cc1C(=O)Cn1nc(N)n(Nc2cccs2)c1=S 36625649 WCXXXIUQSGATOA-UHFFFAOYSA-N 379.898 3.778 0 40 GHAB O=C(NCCC(=O)N1CCc2ccccc21)Nc1ccc(Br)cc1 40134507 GHOQMLJTFFAIGX-UHFFFAOYSA-N 388.265 3.550 0 40 GHAB CC(=O)N(CC(C)C)c1nc(C)c(C(=O)Nc2nnc(C(C)(C)C)s2)s1 40266989 VJRLLBOEQYYCHX-UHFFFAOYSA-N 395.554 3.862 0 40 GHAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2Cl)c1=O 44840201 PDQMHWKAHVXMEK-CQSZACIVSA-N 399.878 3.735 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 44947565 WGXORIKQWJFNOW-HXUWFJFHSA-N 393.487 3.897 0 40 GHAB O=C(NCc1ncc(-c2ccccc2)o1)N1CCO[C@H](c2ccc(F)cc2)C1 47041744 RZWUSUMOSLZQSL-IBGZPJMESA-N 381.407 3.764 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)CCC(=O)c2ccc(F)cc2F)c1 48387192 XFUQMEHKLRHHCX-GFCCVEGCSA-N 377.387 3.822 0 40 GHAB CC(C)[C@@H](NC(=O)CCCNC(=O)c1ccccc1)c1nc2ccccc2[nH]1 48660027 WZZRJKXIABKHLD-HXUWFJFHSA-N 378.476 3.586 0 40 GHAB CC(C)Cc1ccc(C(=O)C2CCN(c3cnn(C)c(=O)c3Cl)CC2)cc1 52210189 CIUOXJKDMSIRCM-UHFFFAOYSA-N 387.911 3.732 0 40 GHAB CCC(C)(C)n1nnnc1[C@@H](C(C)C)N1CCN(c2cccc(C)c2C)CC1 57669882 MEAGREADLZFFCG-HXUWFJFHSA-N 384.572 3.954 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC(F)F)CC1 58394298 WQUUDMJSFLBFJX-SNVBAGLBSA-N 381.250 3.606 0 40 GHAB C[C@@H](C(=O)NCCc1cccc(Cl)c1)n1c(S)nnc1-c1cccs1 65474385 UZWJFWIEFSITFW-NSHDSACASA-N 392.937 3.869 0 40 GHAB COc1cccc(Cc2cccc([C@@H]3CCCN3C3CCN(C(C)=O)CC3)n2)c1 72358193 IJNCOYDFXKVQTM-DEOSSOPVSA-N 393.531 3.829 0 40 GHAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)NC12CC3CC(CC(C3)C1)C2 77200758 YTKNCKNHJMNENQ-UHFFFAOYSA-N 381.520 3.942 0 40 GHAB CSc1ccc(NC(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1F 79058790 SRMOPUOCHOXUAB-UKRRQHHQSA-N 396.509 3.966 0 40 GHAB O=C(Nc1ccc(F)c(C(=O)N2CCCC2)c1)c1ccc(Br)o1 79492216 MJNBSIUCDAXLIB-UHFFFAOYSA-N 381.201 3.670 0 40 GHAB CSc1nc2n(n1)[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1)[C@@H](C)N2 80325108 HZMNOFVJCULNET-XYPHTWIQSA-N 379.489 3.658 0 40 GHAB O[C@H](COc1c(Cl)cccc1Cl)CN1CCN(Cc2ccccc2)CC1 84536064 ZGOMLYLEBNFYQV-KRWDZBQOSA-N 395.330 3.551 0 40 GHAB COc1cccc(NC(=O)N2CCCSC[C@H]2CN2CCCCC2)c1OC 90701763 VYTVXURJHWCHIX-MRXNPFEDSA-N 393.553 3.529 0 40 GHAB O=C(NCc1cccc(CN2CCCCCC2)c1)[C@@H]1CCCN1c1nccs1 95957354 YOYVFYFTQUXRPE-FQEVSTJZSA-N 398.576 3.804 0 40 GHAB C[C@@H]1CCCN(C(=O)c2ccc(NCCc3cnn(-c4ccccc4)c3)nc2)C1 95958759 FQQVXELHSZDCIZ-GOSISDBHSA-N 389.503 3.794 0 40 GHAB COc1ccccc1CN1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 96305881 LPQKNPZHLYYDSK-UHFFFAOYSA-N 394.544 3.901 0 40 GHAB O=C(CCc1ccsc1)NCCN1C(=O)S/C(=C/c2cccs2)C1=O 96859835 ZOABVHKXISWCSZ-GXDHUFHOSA-N 392.527 3.595 0 40 GHAB COc1cccc(C(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)c1 100750183 LDMWXTFTKNUZFH-SVMVAKDDSA-N 381.520 3.929 0 40 GHAB Cc1nc(-c2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3ccncc3)cc2)cs1 120059894 ATVAEVDWHZXNOS-LJQANCHMSA-N 392.484 3.816 0 40 GHAB CC(C)c1ncc(Cl)c(C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)n1 121873555 PIODOMBLEOBEKR-UHFFFAOYSA-N 375.856 3.690 0 40 GHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219323554 JDPZJJWKLMIJMX-MRXNPFEDSA-N 393.867 3.840 0 40 GHAB CSc1cccc(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 220066493 SKLPSLZTQCHKKE-UHFFFAOYSA-N 392.546 3.937 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1ccccc1F)S(C)(=O)=O 220591113 RZLHKJVAJXDXDZ-INIZCTEOSA-N 398.887 3.971 0 40 GHAB COc1ccc(-c2ncc(C(=O)Nc3ccc(NC(C)=O)cc3)c(C)n2)cc1 223144072 FJPRIPTXSONKIL-UHFFFAOYSA-N 376.416 3.671 0 40 GHAB COc1ccc(-c2ncc(C(=O)N[C@@H](C)c3ccc(OC)cc3)c(C)n2)cc1 223146932 RLKGVLCBDKBRCX-AWEZNQCLSA-N 377.444 3.960 0 40 GHAB CCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C)cc1 223409301 RYBXBQLDTDOXHT-UHFFFAOYSA-N 376.478 3.794 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4ccccc4c3)ccc21 225506977 PXLRXYWVBAEJRF-UHFFFAOYSA-N 380.469 3.940 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)cc1 225510181 XXQVUVGYJAGOBM-LJQANCHMSA-N 396.531 3.878 0 40 GHAB CN(c1ccc(CC(=O)Nc2ccccc2F)cc1)S(=O)(=O)c1ccccc1 225980698 UZHQEAFWOSANSE-UHFFFAOYSA-N 398.459 3.832 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2Cl)cc1 227152392 ZOGJUJARKOKHFN-AWEZNQCLSA-N 385.851 3.618 0 40 GHAB Cc1cc(C(F)F)n(CC(=O)N2C[C@H]3[C@@H](Oc4ccccc4F)CC[C@H]3C2)n1 257239142 HODAVTGHLPJUPA-VBQJREDUSA-N 393.409 3.584 0 40 GHAB C[C@]1(O)CN(C(=O)c2csc(-c3ccccc3)n2)CC[C@@H]1Oc1ccccc1 257312113 UMOOPIOJZLLSJR-UGKGYDQZSA-N 394.496 3.855 0 40 GHAB Cc1cncc(C(=O)N2CC3(CO[C@@H]4c5ccccc5OC(C)(C)[C@H]4C3)C2)c1 257331787 XUGOLFHTAXYWRF-AZUAARDMSA-N 378.472 3.781 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@]1(C)c1ncc(Cc2cccc(F)c2)o1 257339866 ZDNDYBOEPYHNAI-JOCHJYFZSA-N 395.434 3.960 0 40 GHAB Fc1ccccc1-c1cnc2nnc(C3CCN(Cc4ccco4)CC3)n2c1 306130590 JKJUGIBELIMQLJ-UHFFFAOYSA-N 377.423 3.903 0 40 GHAB CN1CC2(CCN(Cc3ccsc3)CC2)c2nn(-c3ccccc3)cc2C1=O 306140718 VBWLGAADGDMMNM-UHFFFAOYSA-N 392.528 3.553 0 40 GHAB CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(CCC(C)(C)C)C[C@H]21 514289299 HQEVAPXZSOVUIZ-CTNGQTDRSA-N 379.504 3.702 0 40 GHAB biogenic,in-vitro CN(C(=O)Cc1ccc2c[nH]nc2c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 526011566 HFPCYUTUDALWKS-IEBWSBKVSA-N 390.270 3.529 0 40 GHAB Cc1nn(CCNS(=O)(=O)c2ccc3c(c2)CCCC3)c(C)c1-c1ccco1 575616496 ZSWPAPSUALMZLJ-UHFFFAOYSA-N 399.516 3.617 0 40 GHAB COc1ccc([C@H]2NC(=O)N(Cc3ccc(-c4csc(C)n4)s3)C2=O)cc1 583789337 XOLAGGPXNYCRKI-QGZVFWFLSA-N 399.497 3.982 0 40 GHAB Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1c(C)n[nH]c1C 585151798 LKGKHPVFGAMPLX-UHFFFAOYSA-N 399.501 3.807 0 40 GHAB COC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)cc1 618255364 BSIJIFCEFUBOQV-UHFFFAOYSA-N 386.429 3.603 0 40 GHAB O=S(=O)(Cc1ncc(Br)cc1Cl)C[C@@H]1CC[C@H]2C[C@@H]2C1 621995523 CEAOBDQXOLRPEI-VWYCJHECSA-N 378.719 3.849 0 40 GHAB CN(C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1)[C@H]1C[C@@H](C(N)=O)C1 626379988 TYXRVUKPVRNNDS-KDYLLFBJSA-N 387.867 3.647 0 40 GHAB COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1 672632624 DEOLMZYLJOHPTQ-UGSOOPFHSA-N 385.439 3.938 0 40 GHAB Cc1cc(-c2noc([C@H](C)NC(=O)c3nncc4ccccc34)n2)ccc1F 1266162582 FYMBURYWJBRTIN-LBPRGKRZSA-N 377.379 3.618 0 40 GHAB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)N1CCc2nc[nH]c2C1 1565524692 SMMXKOIVLVHNIP-CQSZACIVSA-N 394.302 3.813 0 40 GHAB CCc1ccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1 1615159771 XOUXZUYZRGWOOJ-UHFFFAOYSA-N 382.479 3.786 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 1888899245 WVSUCCNHQPNPHG-UHFFFAOYSA-N 381.867 3.675 0 40 GHAB O=C(CCC1CCCC1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984740 MGQOVQBJBOBIDL-HSZRJFAPSA-N 384.520 3.772 0 40 GHAB Cc1c(C(=O)OC(C)C)sc(NC(=O)Cc2ccc(Cl)cc2)c1C(N)=O 689239 KUXXJTPMGPGUHP-UHFFFAOYSA-N 394.880 3.555 0 40 GHAB Cn1nc(C(=O)Nc2ccccc2)c(Br)c1C(=O)Nc1ccccc1 857666 DMUGWBDZUYHOKB-UHFFFAOYSA-N 399.248 3.687 0 40 GHAB COc1ccc2cc(C)c3nnc(SCC(=O)NCc4cccs4)n3c2c1 928550 QBBHAUVKIIEGKA-UHFFFAOYSA-N 398.513 3.670 0 40 GHAB O=C(O)[C@@H]1CS[C@@H](c2c(-c3ccccc3)nn(-c3ccccc3)c2Cl)N1 940105 ONWWAQHJGGGUDX-KSSFIOAISA-N 385.876 3.981 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(COc2ccc(I)cc2)o1 1001977 GQGJAWVHROUWEW-NSHDSACASA-N 399.228 3.992 0 40 GHAB Nn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(F)cc1 1291427 ARDICPGXHDVCHF-UHFFFAOYSA-N 379.258 3.853 0 40 GHAB O=C(CN1CCCCC1)Nc1ccc2c(c1)[C@H]1Oc3ccccc3C[C@H]1CO2 1647769 JLVARTZWOQVSMC-SBUREZEXSA-N 378.472 3.796 0 40 GHAB c1ccc(NCCC2OCC3(CO2)COC(CCNc2ccccc2)OC3)cc1 1671462 WMZZLVKIHZCVLL-UHFFFAOYSA-N 398.503 3.723 0 40 GHAB CCN(CC)CCOC(=O)c1ccc(NC(=O)COc2ccc(C)cc2C)cc1 2069585 NKACAMFHZZGIEK-UHFFFAOYSA-N 398.503 3.820 0 40 GHAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccc(O)cc4O)nc32)cc1Cl 2404434 RLYMOLXYPWAAJN-UHFFFAOYSA-N 392.806 3.503 0 40 GHAB CCN(CC)C[C@H](C)NC(=O)c1cc(-c2cnn(CC)c2)nc2ccccc12 2808758 AYIONLTZAOESLZ-INIZCTEOSA-N 379.508 3.578 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)/C=C/c1ccc(Br)o1 3246964 JMJLTZMZKZPCKF-YPUOHESYSA-N 390.233 3.576 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(F)cccc2Cl)c1C 3274927 ZLYOSAPOALNBFO-UHFFFAOYSA-N 381.787 3.640 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3464960 XWSDIMPAKLQHGP-HNNXBMFYSA-N 386.451 3.858 0 40 GHAB CC1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 4135210 ZLLCBSCVKKRBAF-UHFFFAOYSA-N 397.132 3.632 0 40 GHAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCCc2ccccc21 4301920 QWYKLGMNDCUFBC-UHFFFAOYSA-N 377.444 3.654 0 40 GHAB aggregator CCCOc1ccc([C@@](O)(C(=O)OCCCN(CC)CC)c2ccccc2)cc1 4828961 HQNZDWOWAYTTBM-XMMPIXPASA-N 399.531 3.986 0 40 GHAB COCCN(C(=O)c1ccccc1OC)c1nnc(-c2ccc(OC)cc2)s1 4881049 GGFRHVQKTGORJP-UHFFFAOYSA-N 399.472 3.516 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)Sc2nncn2-c2ccccc2OC)cc1 4894885 PESGBSVHANVFLB-AWEZNQCLSA-N 382.489 3.958 0 40 GHAB CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCCN(C)C 4980399 GBUXVCCRURRXFA-UHFFFAOYSA-N 397.523 3.648 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1ccccc1F 5108317 PHKWNENSCCHNAO-UHFFFAOYSA-N 394.468 3.918 0 40 GHAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)n2N)c(C)c1 6367830 SDAMAMLZFKOKQV-UHFFFAOYSA-N 381.505 3.623 0 40 GHAB CCc1ccc(C(=O)COC(=O)c2ccc(CNC(=O)NC(C)C)cc2)s1 6646298 ZEMYGALCKYGGMK-UHFFFAOYSA-N 388.489 3.558 0 40 GHAB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OCCCC)C2=O)cc1 6650378 AYKPSLCMGSKCRF-FOWTUZBSSA-N 375.446 3.631 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 6975848 VLVARLOQPOPLBJ-UHFFFAOYSA-N 376.378 3.870 0 40 GHAB COc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7777182 VDGVSAXINZJPJZ-QGZVFWFLSA-N 386.879 3.517 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)c1nn(-c2ccccc2)c(=O)c2ccccc12 8035243 UXHRHPHTYQNYES-UHFFFAOYSA-N 377.350 3.916 0 40 GHAB O=C(Cc1c(F)cccc1Cl)OCC(=O)c1ccc2c(c1)OCCCO2 8070209 LPLGIQMFAFSXPP-UHFFFAOYSA-N 378.783 3.609 0 40 GHAB C[C@@H](NC(=O)CN1C(=O)CC2(CCCCC2)C1=O)c1ccc2ccccc2c1 8187937 SLYLGNGOLIULQY-MRXNPFEDSA-N 378.472 3.726 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)Nc1ccccc1 8416103 DLJDQYDZFPKRAA-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB O=C(CSc1nc(CC(=O)N2CCCC2)cs1)Nc1ccc(Cl)cc1 8852230 NOCLCAFUJCAZAO-UHFFFAOYSA-N 395.937 3.692 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1cccc(F)c1 8880315 JILVHGISLUSCJL-HXUWFJFHSA-N 395.434 3.976 0 40 GHAB CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 11761014 GAIGXZMPIFVDEC-UHFFFAOYSA-N 382.460 3.514 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 12088616 XDNFPVUMGWIECG-LJQANCHMSA-N 390.462 3.935 0 40 GHAB CCn1cc(CN(C)c2ncc(-c3cnccn3)c(-c3cccs3)n2)c(C)n1 12186304 OBNHPHRTUVHVES-UHFFFAOYSA-N 391.504 3.823 0 40 GHAB Cc1cc(NC(=O)CN2CCC3(C=Cc4cc(Cl)c(C)cc4O3)CC2)no1 12187983 UYFURYYTMKTKKP-UHFFFAOYSA-N 387.867 3.824 0 40 GHAB Cc1nc(C)n([C@@H](C)CC(=O)N[C@H](Cc2ccsc2)c2ncccc2C)n1 12229476 KKFQEKHKMFTFCO-KBXCAEBGSA-N 383.521 3.711 0 40 GHAB COc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1 12414503 KCZNBYSHXRITLY-UHFFFAOYSA-N 385.423 3.711 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2cc3ccc(F)cc3nc2C)CC1 12564308 NYCCRLUAGFAUJP-UHFFFAOYSA-N 379.435 3.653 0 40 GHAB O=C(Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C1CC1 12584288 FZWZEQCXOMCQLP-UHFFFAOYSA-N 384.379 3.855 0 40 GHAB Cc1ccc([C@H](C)C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 12669074 VGXNNMKEZKOKBS-INIZCTEOSA-N 376.460 3.950 0 40 GHAB COC(=O)c1ccc2ccccc2c1OCC(=O)NCCc1ccc(F)cc1 12808883 CKSOYZVLADLUQS-UHFFFAOYSA-N 381.403 3.503 0 40 GHAB CCN(C(=O)[C@@H](C)Sc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 12811351 VBSOECSYJSPXBI-GHMZBOCLSA-N 396.361 3.510 0 40 GHAB Cc1ccc(C(=O)NCC(=O)Nc2nc(-c3ccc(C)s3)cs2)s1 12919164 TZEIEZCCSFOKOA-UHFFFAOYSA-N 377.516 3.918 0 40 GHAB Fc1ccc(-c2nnn(CN3CCC[C@H](c4nc5ccccc5s4)C3)n2)cc1 12936403 FCVJQWDIRYHGEP-HNNXBMFYSA-N 394.479 3.926 0 40 GHAB O=C(CC1(C(=O)O)CCCCC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 13467054 FCNFYUCNIAPUOT-UHFFFAOYSA-N 396.369 3.650 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)nc2n1 14603099 KQQDQRTXRRIEJL-UHFFFAOYSA-N 390.472 3.606 0 40 GHAB COc1c(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)cc2c(c1OC)OCO2 15085870 SHTJPGLZHLEXDA-CQSZACIVSA-N 375.808 3.822 0 40 GHAB COc1cc(CNC(=O)CSCc2ccc(Cl)cc2)cc(OC)c1OC 15378290 ARNOSNLHPKKNPS-UHFFFAOYSA-N 395.908 3.915 0 40 GHAB CCCc1cc(O)nc(SCC(=O)Nc2ccc(N3CCCC3)cc2C)n1 18226674 VNJWULCYXCYDPL-UHFFFAOYSA-N 386.521 3.774 0 40 GHAB O=c1c(=O)n(-c2cccc(Cl)c2)ccn1Cc1cccc(C(F)(F)F)c1 20488852 SBTZBVIAVIGXQF-UHFFFAOYSA-N 380.753 3.720 0 40 GHAB C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 22641040 JEGHFTNTXBMRAJ-OAHLLOKOSA-N 398.450 3.773 0 40 GHAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN[C@H](c1ccc(F)cc1)C(C)C 23678069 ROBYMTKAGZZBHR-UGKGYDQZSA-N 389.467 3.764 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)cc1F 23763491 FPBAMHVOOXOOHB-UHFFFAOYSA-N 388.508 3.733 0 40 GHAB Cc1sc2nc(CN3CCOCC3)nc(Nc3ccc4c(c3)OCO4)c2c1C 23935744 ZCVPPDPAZRKHSX-UHFFFAOYSA-N 398.488 3.613 0 40 GHAB COc1ccc(CC(=O)N(C)Cc2ccccc2N2CCCCC2)cc1OC 24391453 BTCRHLXFSOMWJI-UHFFFAOYSA-N 382.504 3.895 0 40 GHAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4cc(C)sc4C)CC3)n2)cc1 24747542 XQSRUYLVCGANGB-UHFFFAOYSA-N 396.516 3.681 0 40 GHAB CC(=O)Nc1cccc([C@H](C)NC(=O)NCCOc2ccc(Cl)cc2)c1 26378611 STDPOSXLQJWJJK-ZDUSSCGKSA-N 375.856 3.738 0 40 GHAB O=C(OCc1ccc(Cl)nc1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 27267418 BLMOWUZUHHEZFY-UHFFFAOYSA-N 397.862 3.918 0 40 GHAB Cc1cccc(N2CCN(C[C@H](O)COc3ccc4ccccc4c3)CC2)c1 27386138 UQXRWFYIVPGOFJ-QHCPKHFHSA-N 376.500 3.710 0 40 GHAB Cn1nc(C(F)(F)F)cc1C(=O)Nc1cnn(Cc2cccc(Cl)c2)c1 28238746 RHEFZQKYIJWRRS-UHFFFAOYSA-N 383.761 3.589 0 40 GHAB CCOc1ccc(NC(=O)CNc2cccc(C)c2C(=O)OC)cc1OCC 28652754 OHEFVABYCCNTFK-UHFFFAOYSA-N 386.448 3.630 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(OC)cc1C 29047239 ZWPYAQYBXMEKHY-OAHLLOKOSA-N 390.505 3.641 0 40 GHAB CN(C(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1)[C@@H]1CCCc2ccccc21 29538779 RCIWSKURDWTLDH-FGZHOGPDSA-N 382.479 3.735 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 30848013 RKIMFAJAVVPBHY-INIZCTEOSA-N 386.517 3.533 0 40 GHAB CCCCCC(=O)NC(=S)Nc1cc(NC(=O)c2ccco2)ccc1OC 32126326 RNZSOLDCYXIMPH-UHFFFAOYSA-N 389.477 3.934 0 40 GHAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(C)n1C1CC1 32738266 BOSXHIYZDVRDDW-UHFFFAOYSA-N 389.521 3.769 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Cc2cc(C(C)=O)ccc2OC)c1 32741071 HPPJRTCVYZGYTQ-HXUWFJFHSA-N 397.471 3.821 0 40 GHAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc(N2CCCC2=O)c1 32776654 KZQXIWUMXWPHMR-HXUWFJFHSA-N 380.444 3.624 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)c2cnn(-c3ccccn3)c2C(C)C)c1 32914243 OZWMTPBVRHDXKI-HNNXBMFYSA-N 394.475 3.899 0 40 GHAB COc1cc2cc3c(N)c(C(=O)NCc4ccccc4)sc3nc2cc1OC 35288877 SFKREDMAAILLDI-UHFFFAOYSA-N 393.468 3.979 0 40 GHAB COc1cccc(-c2cc(C(=O)Nc3c(C)noc3C)c3c(C)nn(C)c3n2)c1 36616366 GHMYXOFGLNKDFK-UHFFFAOYSA-N 391.431 3.809 0 40 GHAB CC(=O)Nc1ccc(CC(=O)NCc2ccccc2CN2CCCC[C@@H]2C)cc1 40107146 OYOYQNJJKMWEGF-SFHVURJKSA-N 393.531 3.878 0 40 GHAB CN(C)C(=O)N1CCC[C@H](C(=O)Nc2nc3c(ccc4ccccc43)s2)C1 40128974 PSWNLUDQPUGXMT-AWEZNQCLSA-N 382.489 3.782 0 40 GHAB O=C(CN1CCSC1=O)NC1(c2ccc(Br)cc2)CCCC1 40146245 QXFRHKOHYGKABZ-UHFFFAOYSA-N 383.311 3.503 0 40 GHAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 55012191 SDVQZTHZPOVSJA-MRXNPFEDSA-N 385.533 3.566 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(-c2cccc(Cl)c2)n1 57527747 LKXLDBSPGFCKSC-UHFFFAOYSA-N 385.826 3.904 0 40 GHAB C[C@@H](C(=O)NCc1cccc(Cl)c1)n1c(S)nnc1-c1cccs1 64334458 BYPZMSJJTSHPGM-JTQLQIEISA-N 378.910 3.826 0 40 GHAB O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccc(Cl)c(Cl)c1 70926852 VJQGUULJQUNOQO-UHFFFAOYSA-N 392.286 3.671 0 40 GHAB O=C(c1cccnc1N1CC[C@@H](Nc2ccccc2)C1)N1CCc2ccccc21 72302095 UXEFWGVQBUKAHC-HXUWFJFHSA-N 384.483 3.975 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3nnc(C4CCCC4)s3)ccc12 72326319 LKJDCQRYMCAEMH-UHFFFAOYSA-N 385.445 3.628 0 40 GHAB biogenic COc1ccc2nc(C3CC3)cc(C(=O)N[C@@H]3CCCc4c3cnn4C)c2c1 84310593 AQPJHAFXDRISPE-GOSISDBHSA-N 376.460 3.662 0 40 GHAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNc1cnn(CCN(C)C)c1 89520832 PUQKWJCFIGNHTP-UHFFFAOYSA-N 386.931 3.572 0 40 GHAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1n[nH]c2cccc(F)c12 95474749 FPWSKTYBPFCVIY-UHFFFAOYSA-N 395.390 3.697 0 40 GHAB Cc1ccc(CN2CC[C@]3(COCc4c(C)nc(NCC5CC5)nc43)C2)cc1 96244492 PXHZRBYRNCTYAM-HSZRJFAPSA-N 378.520 3.589 0 40 GHAB CCn1c(S[C@H](C(N)=O)C(C)(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 97082081 NDPVMVVXIIQRMU-QMTHXVAHSA-N 393.578 3.595 0 40 GHAB CCCc1ncc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccc(OC)cc2)cn1 100766809 KYXYISPFKHVJPW-WOJBJXKFSA-N 381.520 3.557 0 40 GHAB CCCc1cc(-c2cc(O)n3nc(-c4ccc(OC)c(OC)c4)cc3n2)no1 100775721 WHIJHBITSOSBOZ-UHFFFAOYSA-N 380.404 3.727 0 40 GHAB Cc1cccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)c1 102085412 OBRQVRYNQRWLIZ-HJEMKOJISA-N 399.446 3.772 0 40 GHAB O=C(CC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O)c1ccccn1 104822281 FKAUBUSZAGAOBR-UHFFFAOYSA-N 384.391 3.547 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1 206655944 KFLISLXLSUAAMQ-CQSZACIVSA-N 386.883 3.871 0 40 GHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccco2)c1 224487118 LWBAAEIIYDALJX-UHFFFAOYSA-N 398.484 3.685 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C 224682265 MULJWRIBPXHYOW-UHFFFAOYSA-N 390.505 3.641 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(CN2CCOCC2)c1 224739292 DMNRNLHDNOMINV-QHCPKHFHSA-N 396.531 3.609 0 40 GHAB COc1ccc2cc(S(=O)(=O)Nc3cccc(N4CCCC4=O)c3)ccc2c1 224942936 VHPJAXJLLIJJKM-UHFFFAOYSA-N 396.468 3.776 0 40 GHAB COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1OC 225236033 UVKTZRAPZJBOEH-DEDYPNTBSA-N 395.484 3.778 0 40 GHAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1 225425210 LGKDIUUOHXNTSY-JOCHJYFZSA-N 380.532 3.995 0 40 GHAB CCOc1ccc(-c2noc(CNC(=S)Nc3c(F)cccc3F)n2)cc1 225831682 FUBLVKLLXZZLLJ-UHFFFAOYSA-N 390.415 3.900 0 40 GHAB CCc1nccn1CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257333115 YAFIREUNXJXAPQ-SFHVURJKSA-N 382.439 3.527 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3ccccc3F)C[C@@H]2N1Cc1cccs1 306143999 YTBFFWHZPUMJMY-PMACEKPBSA-N 381.476 3.770 0 40 GHAB CCOc1ccc(-c2ccc(OC(=O)c3cc(OC)cc(OC)c3)nn2)cc1 408530159 IXHKSMYKVZKJGV-UHFFFAOYSA-N 380.400 3.779 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 408555074 DITGRQXYWZTPGJ-HNNXBMFYSA-N 390.505 3.723 0 40 GHAB C[C@@H](C(=O)NC1CCCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 408628679 ZYGLEWXRIQBXKS-AWEZNQCLSA-N 386.945 3.724 0 40 GHAB CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)CC1 408700933 ONOOVOCOERYPPE-UHFFFAOYSA-N 398.956 3.633 0 40 GHAB CN(c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1)S(C)(=O)=O 409134782 PXYDVGVHUCZREW-UHFFFAOYSA-N 398.937 3.608 0 40 GHAB O=C(Cn1cc(-c2ccc(F)cc2)cn1)NCc1ccc(-c2ccoc2)nc1 575414656 MIADOEMNELFFFE-UHFFFAOYSA-N 376.391 3.661 0 40 GHAB Cc1cc(C)n([C@@H](CNC(=O)c2cc(-c3ccco3)on2)c2ccsc2)n1 585148124 ZYGMIQSKGIKWJB-INIZCTEOSA-N 382.445 3.829 0 40 GHAB O=C(N[C@@H](CCc1ccccc1)C(F)F)c1c(F)cncc1Br 633679157 MVDUKMOIVUQHLC-ZDUSSCGKSA-N 387.199 3.980 0 40 GHAB C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)C[C@@H]1NC(=O)c2ccccc21 1152158452 RYZXNRYSHJBTIH-UGKGYDQZSA-N 384.426 3.763 0 40 GHAB O=C(NCc1ccccc1)c1cccc(NC(=O)c2cccc3c2C(=O)CC3)c1 1633374758 FOTNGZXIKZFEGW-UHFFFAOYSA-N 384.435 3.998 0 40 GHAB COc1cccc(-c2cc(=O)n(CC(=O)Nc3ccc(Cl)cc3)c(C)n2)c1 1775966842 FZTDCYJBJHMPSS-UHFFFAOYSA-N 383.835 3.519 0 40 GHAB Fc1ccc2nc(N3C[C@H]4CN(c5ncccc5C(F)(F)F)C[C@@H]4C3)oc2c1 1888918079 XZPMOUKFRVJSME-VXGBXAGGSA-N 392.356 3.953 0 40 GHAB CCc1nc(C)c(CN2CCO[C@@H](c3cccc(Nc4ncc(C)s4)n3)C2)[nH]1 2037835885 FSWQLQBNPNWFIX-QGZVFWFLSA-N 398.536 3.758 0 40 GHAB CC(C)(C)[C@H]1CC[C@H](N2CC[C@H](O)[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 2037949777 DSBASJWFBBKKHQ-LYKNXKPOSA-N 397.506 3.746 0 40 GHAB CC(C)(C)NC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccco1 904465 WMNUCBLKGXLTDX-UHFFFAOYSA-N 384.505 3.517 0 40 GHAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)cc1 2445660 AHTXYXRIDYDBGR-UHFFFAOYSA-N 385.468 3.652 0 40 GHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)N2C(=O)[C@H](C)SC2=N1 2463330 LFFLCFDLZGJMTJ-BLLLJJGKSA-N 376.453 3.674 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1cc(Cl)ccc1Cl 2625050 YHSXVRLFTYKJSU-UHFFFAOYSA-N 398.290 3.967 0 40 GHAB CCCCNC(=O)COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 2656308 AZIREARNBBMDQF-UHFFFAOYSA-N 389.452 3.608 0 40 GHAB CC[C@H](c1nnc(S)n1-c1cnn(Cc2ccccc2)c1)n1cc(Cl)cn1 2808615 ZQZVFWXVRMBHGK-MRXNPFEDSA-N 399.911 3.650 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)NNc2c(F)c(F)c(F)c(F)c2F)cc1 3208934 ASYKTYDQBBVPNF-UHFFFAOYSA-N 394.365 3.985 0 40 GHAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(I)cc1 4714088 AKFZDXGITQBGBU-ZSOIEALJSA-N 393.155 3.775 0 40 GHAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 5136414 ZREVXBMHINWOAW-UHFFFAOYSA-N 382.460 3.648 0 40 GHAB Cc1ccc(C2=NN(C(=O)CSc3nccn3C)[C@@H](c3ccco3)C2)cc1 5359462 OYAQZOVDKWXGJL-QGZVFWFLSA-N 380.473 3.792 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2c(C)cccc2C)cc1 5391515 RTJZCSIRAAXBKH-HNNXBMFYSA-N 381.505 3.961 0 40 GHAB COc1ccc(CN2C[C@@H]3C[C@H](C2)c2ccc(-c4cccnc4)c(=O)n2C3)cc1 5396237 HZUIEPHNRLIYSR-AZUAARDMSA-N 387.483 3.538 0 40 GHAB biogenic,in-vitro CC(=O)Nc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 5560598 ZOEXEABLPHSTAP-MDASCCDHSA-N 375.465 3.806 0 40 GHAB COc1ccc(OC)c(NC(=O)COc2ccc(F)cc2Br)c1 5701717 ZERGAMRGARJBOL-UHFFFAOYSA-N 384.201 3.623 0 40 GHAB CN(Cc1ccccc1)C(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 6169320 UXXOSBQVESTAIM-UHFFFAOYSA-N 394.496 3.784 0 40 GHAB COc1cccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c1 6461092 DYYQFSMGLJSNLL-UHFFFAOYSA-N 376.412 3.965 0 40 GHAB O=S(=O)(N[C@H]1Cc2ccccc2[C@@H]1N1CCCCCCC1)c1ccccc1 6651953 WKXSTHYPYVTLJS-VXKWHMMOSA-N 384.545 3.897 0 40 GHAB CC(C)[C@H](NC(=O)CCNC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 6657461 QPIHEMXOROXLJE-IBGZPJMESA-N 379.464 3.588 0 40 GHAB COC(=O)c1sc2nc(COc3cc(Cl)ccc3Cl)[nH]c(=O)c2c1C 6974730 OJZJFFZDBWVNQQ-UHFFFAOYSA-N 399.255 3.965 0 40 GHAB CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 7804107 MBHRIDSAEUEZON-AWEZNQCLSA-N 386.945 3.679 0 40 GHAB Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c(C)c1 7826015 YPZCOONKKLVTKW-UHFFFAOYSA-N 398.507 3.989 0 40 GHAB COc1ccc(CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C2CC2)cc1 8165108 AUVNJYJXZXSMAB-UHFFFAOYSA-N 388.508 3.833 0 40 GHAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1ccccc1)S(C)(=O)=O 8224122 PVJZDWVZVFCACO-LLVKDONJSA-N 387.288 3.787 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 8315998 FNPXWPXIMCDDFI-GFCCVEGCSA-N 395.286 3.999 0 40 GHAB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)C1 8318969 HKTOYYIOKOVEKO-STQMWFEESA-N 386.464 3.603 0 40 GHAB O=C(c1ccccc1Cl)N(Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 8475105 OBDKIFULTRVSIK-IAGOWNOFSA-N 394.858 3.849 0 40 GHAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 8477707 VYQFNJVDAVTMSS-OGECGYFKSA-N 382.479 3.841 0 40 GHAB Cc1c(N2C(=O)[C@H](C)S[C@@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C 8716663 LZHQPYAIXDKIFL-ORAYPTAESA-N 385.514 3.713 0 40 GHAB Cc1c(C(=O)Nc2ccccc2C(F)(F)F)cnc2nc(-c3cccnc3)nn12 9183759 GRTUWUVWDAFKQH-UHFFFAOYSA-N 398.348 3.766 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 9237405 ZYTIPDGQRYGXDR-RBUKOAKNSA-N 393.516 3.910 0 40 GHAB CCc1c(O)nc(SCC(=O)Nc2ccccc2)n(-c2ccccc2C)c1=O 9327334 DDOHQYAKAROHBO-UHFFFAOYSA-N 395.484 3.540 0 40 GHAB CCC(=O)N1CCCc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc21 9569243 FYPKPFIEWSQTSV-UHFFFAOYSA-N 376.412 3.735 0 40 GHAB O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 9570755 HQXWZZKNQBJQDP-UHFFFAOYSA-N 389.846 3.913 0 40 GHAB Cc1cccc(C(=O)N[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C(C)C)c1 9900517 AVYZUMCBQMJMEJ-JOCHJYFZSA-N 389.499 3.816 0 40 GHAB CCN(c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O 10008613 JYGBSXXWHVJYOV-UHFFFAOYSA-N 386.395 3.744 0 40 GHAB O=C(CSc1cc(F)ccc1F)Nc1cccc(-c2nnnn2C2CC2)c1 10108243 OWJVQSANOZHQLA-UHFFFAOYSA-N 387.415 3.684 0 40 GHAB COc1ccc(CCCN(C)C(=O)c2cc(-c3ccccc3)[nH]n2)cc1OC 10737766 LFDHUVTVMUMRET-UHFFFAOYSA-N 379.460 3.799 0 40 GHAB C[C@@H]1CCc2sc(C(=O)N(C)Cc3ccccc3N3CCOCC3)cc2C1 10900430 AZNZOYPBFMVDNX-MRXNPFEDSA-N 384.545 3.982 0 40 GHAB Fc1ccc(F)c(-c2nnc3sc(-c4cnn(-c5ccccc5)c4)nn23)c1 12409974 WVPUPWKEVRDBHW-UHFFFAOYSA-N 380.383 3.984 0 40 GHAB COc1ccc2nc(-c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)cn2n1 12441167 NGMDZTCMDVNFJS-UHFFFAOYSA-N 380.354 3.935 0 40 GHAB O=C(Cc1c(F)cccc1Cl)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 12583490 NDQINELLUJGQFW-UHFFFAOYSA-N 387.842 3.528 0 40 GHAB Cc1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c(F)c1 12766044 AKCKFZTVVKGGOR-UHFFFAOYSA-N 393.344 3.784 0 40 GHAB C[C@@]1(c2ccc(Br)cc2)NC(=O)N(Cc2cccc(F)c2)C1=O 12813415 DNQKYKNJIBHQRQ-KRWDZBQOSA-N 377.213 3.555 0 40 GHAB CSc1ccc(CN(C)C(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1 12903520 HEPDHMFUFNTUFR-UHFFFAOYSA-N 382.533 3.968 0 40 GHAB O=C(CC1(CC(=O)N2CCOCC2)CCCC1)Nc1ccc(C(F)(F)F)cc1 12944115 YJXZNEFAPYQDMV-UHFFFAOYSA-N 398.425 3.843 0 40 GHAB Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c(C)c1 12989108 AIAANNZWXPRCEQ-UHFFFAOYSA-N 378.519 3.792 0 40 GHAB COc1cc(/C=C/C(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc(OC)c1 13012682 BXYWPSCDLMLHKP-ONEGZZNKSA-N 390.819 3.885 0 40 GHAB CC(C)Cn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O 13151350 KLJNWYXYKCFNRH-UHFFFAOYSA-N 392.484 3.581 0 40 GHAB CCCN1CCn2c(nc3cc(NC(=O)COc4ccccc4Cl)ccc32)C1 13690249 JROAIWPAMNMZGV-UHFFFAOYSA-N 398.894 3.933 0 40 GHAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4ccc(F)cc4F)CC3=O)c2c1 13944653 LWILUHDRISHURA-OAHLLOKOSA-N 397.425 3.784 0 40 GHAB COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc4ccccc4c3)c2c1 13961425 HSAFTYWPKVCSME-UHFFFAOYSA-N 380.469 3.851 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccccc1 14184513 IOEVFUTZGCTEPN-IBGZPJMESA-N 380.400 3.523 0 40 GHAB CC(C)c1ccc(CN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C2CC2)cc1 14197007 MJNIONCRCDNXIF-UHFFFAOYSA-N 387.505 3.654 0 40 GHAB Cc1ccc2nc3c(c(C(=O)O[C@@H](C)C(=O)Nc4cc(C)no4)c2c1)CCCC3 14567568 UBGIPEBAIZHTNX-AWEZNQCLSA-N 393.443 3.902 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1 15477394 MDUGRBQAZWWJCK-UHFFFAOYSA-N 394.924 3.643 0 40 GHAB Cc1cc(C)c2c(=O)cc(C(=O)NC[C@H](c3ccco3)N3CCCC3)oc2c1 15859918 YGSOJBJIPQYGNC-MRXNPFEDSA-N 380.444 3.570 0 40 GHAB O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1ccc(Cl)c(Cl)c1 15913415 VGSSFHBJEBSLPS-UHFFFAOYSA-N 380.260 3.904 0 40 GHAB COc1ccc(OCCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 16517042 ZXAMQVDVFCQRFG-UHFFFAOYSA-N 375.424 3.735 0 40 GHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NCc2cccc(F)c2)cc(=O)[nH]1 19285171 IMOQZJKWJURVKJ-FQEVSTJZSA-N 376.435 3.772 0 40 GHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2Cc1cnn(C)c1C 19553778 SEHAXGDAVXIRJY-ZRBLBEILSA-N 398.526 3.627 0 40 GHAB Cc1c(C(=O)N2CCC[C@@H](c3n[nH]c4nccnc34)C2)[nH]c2ccc(Cl)cc12 19565357 OCEFMTGFQCGWFP-GFCCVEGCSA-N 394.866 3.816 0 40 GHAB O=C(C1CCCC1)N1CCC2(CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 19744729 ZWHNKXAWPDSELA-UHFFFAOYSA-N 384.495 3.913 0 40 GHAB CCc1ccccc1-n1ccc2nc(N3CCc4ccccc4C3)ncc2c1=O 19958992 HMTFPHIKITVPBZ-UHFFFAOYSA-N 382.467 3.906 0 40 GHAB C[C@@H]1CCCN(Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)C1 20048532 CGLLZIKQJNYVCM-OAQYLSRUSA-N 391.559 3.877 0 40 GHAB C[C@H]1CN(CCOc2ccc3c(=O)c(-c4ccccc4)coc3c2)C[C@H](C)O1 20589880 SEGDXBOJTVZVCX-IRXDYDNUSA-N 379.456 3.948 0 40 GHAB biogenic CCN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 20680575 JWAGHIAEMRAYKA-UHFFFAOYSA-N 376.504 3.685 0 40 GHAB C[C@@H](NC(=O)c1cn(C)c2ccccc2c1=O)c1ccc(Br)cc1 22234283 ZLMVFELKPWVGEP-GFCCVEGCSA-N 385.261 3.792 0 40 GHAB CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)Nc2cccc(C)c2)CC1 22460667 OVDQDHUTZFOXFF-YLJYHZDGSA-N 386.565 3.945 0 40 GHAB COc1ccc(C(=O)[C@H](C)OC(=O)CSc2cnc3ccccc3n2)cc1 22614822 NIBJPEBGFXEUCR-ZDUSSCGKSA-N 382.441 3.545 0 40 GHAB C[C@@H](NCc1cc(Br)c2c(c1)OCO2)c1ccc2c(c1)OCCO2 22774892 XGFSUMJPUQTRJF-LLVKDONJSA-N 392.249 3.800 0 40 GHAB COc1ccc(C)cc1CN1CCN([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC1 22924375 XXEWNNXMIWYSBC-FQEVSTJZSA-N 395.547 3.765 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1F)N1CCN(Cc2ccsc2)CC1 22933188 PYTQOLLGYZOXSY-CYBMUJFWSA-N 381.904 3.685 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C 22991095 SJEAXSYQUNBYNJ-HNNXBMFYSA-N 380.492 3.712 0 40 GHAB CC[C@H](C)n1c(=O)c2ccccc2n(Cc2nc(-c3ccc(C)cc3)no2)c1=O 23126737 SFMRYLVUJFRXSH-HNNXBMFYSA-N 390.443 3.541 0 40 GHAB COc1ccc(CCNC(=O)c2csc(Nc3ccccc3)n2)cc1OC 23136781 KXCYMDQQBYABFW-UHFFFAOYSA-N 383.473 3.876 0 40 GHAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Br)c1 23744008 FVJAJVQPSRNPOQ-UHFFFAOYSA-N 384.295 3.669 0 40 GHAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 24234997 QUMVSXCFCJLITP-QGZVFWFLSA-N 398.459 3.532 0 40 GHAB Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCC[C@H](c2nc3ccccc3s2)C1 24497350 WCNJSJHYZHXAOW-HNNXBMFYSA-N 391.496 3.971 0 40 GHAB Cc1cc(Cl)ccc1-n1ncc2c(N(CCO)c3ccccc3)ncnc21 28405986 GXRUXMRRBPWFBF-UHFFFAOYSA-N 379.851 3.908 0 40 GHAB O=C1COc2cc(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)ccc2N1 30392009 HZRABAUXKNBZBE-UHFFFAOYSA-N 392.386 3.988 0 40 GHAB Cc1cc(C)c2c(n1)sc1c(SCC(=O)NCc3ccco3)ncnc12 32100798 JTLKZCSAPFPALJ-UHFFFAOYSA-N 384.486 3.858 0 40 GHAB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@](O)(C(F)(F)F)C2)cc1 32100951 YCKBLMLXIXUGEG-QGZVFWFLSA-N 398.768 3.850 0 40 GHAB O=C1Nc2ccccc2/C1=C\c1nc2ccccc2c(=O)n1-c1ccc(O)cc1 32633775 SLAGBDKBELKMJW-QGOAFFKASA-N 381.391 3.584 0 40 GHAB CCOc1ccccc1C(=O)OCC(=O)Nc1cc(C)c(Cl)cc1OC 32797503 BHJQFQWOGOLPOB-UHFFFAOYSA-N 377.824 3.851 0 40 GHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-n2cccn2)nc1 32802623 MBLXABPMZDKCAW-UHFFFAOYSA-N 390.274 3.916 0 40 GHAB CC(=O)N[C@@H](CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C)c1ccc(C)cc1 32879259 BRDBLLIFOIOFSI-RBBKRZOGSA-N 392.503 3.952 0 40 GHAB CCOc1ccccc1C(=O)NCCCC(=O)Nc1cnc2ccccc2c1 32900710 BOOYQOCKIVZPRW-UHFFFAOYSA-N 377.444 3.782 0 40 GHAB CCOc1cccc2sc(N(CCn3nc(C)cc3C)C(=O)C3CC3)nc12 35597626 ZIJPQPLEIMYCHF-UHFFFAOYSA-N 384.505 3.952 0 40 GHAB COC(=O)c1cccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1C 40059974 YWBCFWBIZKIRBX-HXUWFJFHSA-N 378.428 3.684 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2F)nc(N2CCC(C)CC2)n1 44169205 USBPDBXSZISWKR-UHFFFAOYSA-N 392.862 3.831 0 40 GHAB COC(=O)[C@H](NC(=O)c1cc2sccc2n1Cc1ccccc1F)C(C)C 44892469 BSTWQHUQJVVCHZ-GOSISDBHSA-N 388.464 3.818 0 40 GHAB Cc1cc(C)c(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c(C)c1 44902916 XJBPOAWJMMSRQO-UHFFFAOYSA-N 386.517 3.790 0 40 GHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Br)o2)c1 48362699 OGJUMWOGJOZWBY-NSHDSACASA-N 379.254 3.957 0 40 GHAB O=C(CN(C[C@@H]1CCCO1)C[C@H]1CCCO1)Nc1ccccc1-c1ccccc1 48375323 OAHJBWJJHBLPNW-OYRHEFFESA-N 394.515 3.952 0 40 GHAB COc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc23)cc1NC(C)=O 56100738 RYHHUVSUDOCNDA-UHFFFAOYSA-N 398.484 3.628 0 40 GHAB Cc1ccccc1C1(CNC(=O)N2CCC[C@@H]2c2ccncc2)CCOCC1 56948120 JGKBLQCPZCBKCA-OAQYLSRUSA-N 379.504 3.985 0 40 GHAB O=C(Nc1nccs1)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 58405727 IQRFUDOCSBPZAJ-LSDHHAIUSA-N 389.908 3.777 0 40 GHAB CCOC(=O)[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)Cc1ccccc1 60155453 XEMSWYQLIRGFGK-MRXNPFEDSA-N 379.378 3.857 0 40 GHAB O=C(NCc1ccccc1Cl)C1CN(c2nc3c(F)cccc3s2)C1 62023138 NTHDSLWMRMMXOP-UHFFFAOYSA-N 375.856 3.841 0 40 GHAB CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCCSCc1ccccc1 72280884 TWSKEYIKKLTVOM-FQEVSTJZSA-N 384.545 3.564 0 40 GHAB O=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2)n1)Nc1nccs1 72357695 YIJVMMKQPQPHQC-IBGZPJMESA-N 378.501 3.905 0 40 GHAB COc1ccc(CN2CCCC[C@H]2c2ccnc(Nc3cncnc3)n2)cc1 72377451 XLKPZPTWSMRMSU-FQEVSTJZSA-N 376.464 3.746 0 40 GHAB Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4cccnc4C)CC3)n2)cc1 92010583 WQSNTGQEQRMFJN-SFHVURJKSA-N 377.492 3.627 0 40 GHAB COc1cc2c(cc1OC)-c1c(c(C(=O)O)nn1-c1ccc(F)c(Cl)c1)C2 96193751 IZRUMCXKMMUSJV-UHFFFAOYSA-N 388.782 3.951 0 40 GHAB COc1cccc([C@H](CNS(=O)(=O)c2cc(Cl)ccc2Cl)OC)c1 96390341 VDJSHZKUUDZITN-HNNXBMFYSA-N 390.288 3.668 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@](C)(OC)c1cccc(Cl)c1 96392913 HYTUTJOQPMVFRB-LJQANCHMSA-N 397.924 3.806 0 40 GHAB CC[C@@H](C)c1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)n[nH]2)cc1 97104215 KADOVTTZWPSWII-OAHLLOKOSA-N 384.505 3.506 0 40 GHAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc(OC)c1O 101175230 CFBIVVPQSCMBOS-UZDMARTRSA-N 391.514 3.812 0 40 GHAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 103500041 CAKPSHYZGDZOMS-MELADBBJSA-N 384.398 3.808 0 40 GHAB CNC(=O)COc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 104536728 KXJAJSSXYQAKLF-UHFFFAOYSA-N 384.432 3.931 0 40 GHAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCC1=CCCCC1 217419725 WKWSUPHGYGOWIA-UHFFFAOYSA-N 380.510 3.766 0 40 GHAB CCc1ccc(OCC(=O)NCc2ccccc2OC)c(Br)c1 218860425 UZUYMQOICVFGEB-UHFFFAOYSA-N 378.266 3.715 0 40 GHAB CC[C@H](C(=O)N[C@H](C)c1ccccc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220557420 RXMLLNZGZDYFOH-YLJYHZDGSA-N 388.533 3.725 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 222954845 HFZZCPDIFOCGGD-HXUWFJFHSA-N 382.504 3.544 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C 223150999 CDMAGUDOFFSWTB-SFHVURJKSA-N 388.895 3.581 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1 223192789 TVGGGOCCWIKWPA-LJQANCHMSA-N 388.895 3.581 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 224047937 UHDMZPUZNDZAII-ZDUSSCGKSA-N 380.897 3.978 0 40 GHAB CCOC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(SC)cc1 224975056 MGIBHTOROVKJMQ-UHFFFAOYSA-N 399.921 3.820 0 40 GHAB COCCNC(=O)c1cc(N)ccc1N(Cc1ccccc1)Cc1ccccc1 225485170 WWFKZOAKQAJIDA-UHFFFAOYSA-N 389.499 3.852 0 40 GHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1F 225693686 HKNRODLGLGREAD-INIZCTEOSA-N 388.458 3.697 0 40 GHAB CCOCCOc1ncc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C 225873377 JHVNSAJGRJPFES-UHFFFAOYSA-N 398.503 3.801 0 40 GHAB NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncnc2scc(-c3ccccc3)c12 245225495 WDBLGKMKELIUNG-OIISXLGYSA-N 378.501 3.981 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)nc(O)n1 257218743 DEGVHETYNGGELW-QGZVFWFLSA-N 398.850 3.700 0 40 GHAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3ccccn3)C2)o1 257250752 JNWMXSNTDXZUDV-QGZVFWFLSA-N 377.444 3.689 0 40 GHAB COCCC(=O)N[C@]1(C)C[C@H](c2cccc(C(=O)O)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257267359 MGYJXQSOBDEDQA-DHSNVRAJSA-N 389.492 3.562 0 40 GHAB CN(C)CCCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 257273033 NEYATEPADKHJSY-UHFFFAOYSA-N 398.522 3.900 0 40 GHAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(F)ccc4F)OCC[C@@]31C2 257314630 UXTIFBQANFGUNZ-ZFTZQBIMSA-N 393.474 4.000 0 40 GHAB CCCCN1C(=O)S/C(=C\c2cn(CC(=O)NC3CC3)c3ccccc23)C1=O 409133772 RPPGHWGHMPVRCO-WQRHYEAKSA-N 397.500 3.756 0 40 GHAB Cc1noc(C2CCN(Cc3c(C(=O)O)sc4cccc(F)c34)CC2)n1 519757226 BICFWHFLJVTALR-UHFFFAOYSA-N 375.425 3.810 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccsc2)c2cccs2)cc1 575415050 WXGNTYCUXMZNTI-MRXNPFEDSA-N 393.511 3.664 0 40 GHAB Cc1cc(CN2CCc3oc(C(=O)N4C[C@@H](C)C[C@@H](C)C4)nc3C2)ccc1F 585112857 WEJMANGFYFTIMZ-GASCZTMLSA-N 385.483 3.799 0 40 GHAB O[C@]1(c2nc(-c3ccsc3)no2)CCc2cc(Br)ccc2C1 1616043361 ZEHSQCXKZNENKO-MRXNPFEDSA-N 377.263 3.937 0 40 GHAB CCc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)o2)s1 1775966948 VETSPNHUTGQVTG-LBPRGKRZSA-N 383.516 3.644 0 40 GHAB O=C(c1ccccc1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888906448 DBJOXBCXJFTRAX-UHFFFAOYSA-N 376.460 3.538 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037840781 QQTBFUBJESPTEX-QHCPKHFHSA-N 396.462 3.562 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)N2C(=O)CCSC2=N1 702244 PSUBQEFDIOQWAP-INIZCTEOSA-N 378.881 3.942 0 40 GHAB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(F)cc3)C[C@H]21 934805 NOCOQTQWJUBFJX-LJQANCHMSA-N 381.451 3.800 0 40 GHAB Cc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)cc1 1361299 WIKQMWDRTOSXHO-UHFFFAOYSA-N 397.500 3.922 0 40 GHAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1cccc(C(F)(F)F)c1 1402162 YARWTVQPXWWCLA-OAHLLOKOSA-N 380.391 3.825 0 40 GHAB COc1cccc2cc(-c3cc(=O)oc4cc(OC(C)=O)ccc34)c(=O)oc12 2112133 PWGKCLJBAPNEQP-UHFFFAOYSA-N 378.336 3.500 0 40 GHAB biogenic CCN1CCN(c2ncnc3c2sc2nc(C)c4c(c23)CC(C)(C)OC4)CC1 2429016 NJLPAVCHPNGZQK-UHFFFAOYSA-N 397.548 3.541 0 40 GHAB CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 2647713 NYXYIZUGQYTZPC-QHCPKHFHSA-N 392.455 3.572 0 40 GHAB O=c1c2c3n(c(SC[C@@H]4CCCO4)nc-2nn1-c1ccccc1)CCCCC3 2658863 AOWPDVKMIYTEJJ-INIZCTEOSA-N 396.516 3.531 0 40 GHAB O=C(c1c(Cl)nc2sccn12)N1CCN(c2cccc(Cl)c2)CC1 3230818 GSBKDBNSTMMVOG-UHFFFAOYSA-N 381.288 3.665 0 40 GHAB O=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1O 3250443 AXWQCGBOFYCETL-UHFFFAOYSA-N 375.424 3.778 0 40 GHAB O=C(NC1CCCCC1)C(=Cc1ccc(C(=O)O)cc1)C(=O)NC1CCCCC1 3258886 OHEULDOAHSHEQP-UHFFFAOYSA-N 398.503 3.666 0 40 GHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCc4ccccc43)o2)cc1 3544856 XTXIGBQPRDDTJJ-ZDUSSCGKSA-N 381.457 3.815 0 40 GHAB COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccco3)cc2)cc1OC 3582374 KOCIDWRLBKEZHJ-UHFFFAOYSA-N 390.399 3.797 0 40 GHAB COC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CCN(C)C2 4223505 HESSNKHBPYMTBQ-UHFFFAOYSA-N 380.469 3.928 0 40 GHAB C[C@H]1CN(c2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 4354712 VJGBHENYXOXKNI-QWRGUYRKSA-N 378.263 3.736 0 40 GHAB CCn1c2ccccc2c2cc(NC(=O)CSc3nc(C)cc(=O)[nH]3)ccc21 4863966 PYAFHSLBGNIFCB-UHFFFAOYSA-N 392.484 3.937 0 40 GHAB CC(C)c1ccc(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)cc1 4968196 IZKNLFRYNMFVST-UHFFFAOYSA-N 377.492 3.830 0 40 GHAB CCOc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1 5034039 SXHGPZUXQNTDKT-HNNXBMFYSA-N 397.504 3.797 0 40 GHAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)c(F)c2F)n1C 5210063 YATAKGKXRHVNQN-UHFFFAOYSA-N 392.406 3.939 0 40 GHAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc21 5278470 AKZGDTZRWAREED-UHFFFAOYSA-N 398.406 3.670 0 40 GHAB Cc1c(CCC(=O)NCCCO)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 5348127 TWRAIPXXELVXJK-UHFFFAOYSA-N 385.460 3.576 0 40 GHAB Cn1c(Cc2cccs2)nnc1SCC(=O)NCc1ccccc1Cl 5580037 PRIXVIJIUSQNPS-UHFFFAOYSA-N 392.937 3.529 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2 6248684 WOUKCDRDWOKSGL-UHFFFAOYSA-N 388.489 3.776 0 40 GHAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc(C(=O)O)c1 6570826 HZBPEOZTBCVBNB-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)N1c2ccccc2OC[C@@H]1c1ccccc1 7268851 YXVNEUBIPDXVRO-OAQYLSRUSA-N 397.434 3.563 0 40 GHAB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 7436538 XWIIZZNJNMVLTP-GHTZIAJQSA-N 394.515 3.556 0 40 GHAB Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccc(F)cc2F)cc1 7508664 OENSZPRHSWJCKS-UHFFFAOYSA-N 392.365 3.620 0 40 GHAB Cc1sc2ncn(CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)c(=O)c2c1C 7824435 ZSKONZWHKGLMBZ-CQSZACIVSA-N 395.528 3.831 0 40 GHAB COC(=O)c1sc2nc(C)nc(N[C@H]3CCN(Cc4ccccc4)C3)c2c1C 7974154 WFUCBTPVSKLHSB-INIZCTEOSA-N 396.516 3.781 0 40 GHAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccc(/C=C/c2ccccn2)c1 8405190 PTPQOJAUNVDNCE-VIOKTNGOSA-N 385.423 3.980 0 40 GHAB Cc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 8570766 ROQYPXOQRRJKEG-MDWZMJQESA-N 375.211 3.968 0 40 GHAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1)NCc1cccs1 8623669 PPVGRTJLOWQCGY-ROUUACIJSA-N 395.528 3.878 0 40 GHAB biogenic,in-vitro CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c1 8991026 SMFOARMZHXSFQF-GOSISDBHSA-N 389.455 3.861 0 40 GHAB Cc1cc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nc(C(C)C)n1 9048488 VRZIFGUMFSSOCN-AWEZNQCLSA-N 384.505 3.764 0 40 GHAB CC(C)(C)[C@@H]1CCc2onc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1 9597926 VPVDURKBXGMNPX-OAHLLOKOSA-N 385.483 3.927 0 40 GHAB O=C(COc1ccccc1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 10499923 FHKCWDOQNSCVIA-UHFFFAOYSA-N 395.484 3.664 0 40 GHAB O=C(c1cncc(Br)c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10544439 KQSDCHWSBIIWOP-GFCCVEGCSA-N 385.265 3.740 0 40 GHAB Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)cc2s1 10784420 RRBWRCUHGYDQMB-UHFFFAOYSA-N 389.502 3.544 0 40 GHAB NC(=O)Cc1csc(NC(=O)CSC(c2ccccc2)c2ccccc2)n1 10908673 XLLSAHCYFGRHQD-UHFFFAOYSA-N 397.525 3.632 0 40 GHAB CC(C)(C)Nc1c([C@@H]2CCCN(C(=O)C3CCOCC3)C2)nc2ccccn12 12088134 DNXVPEBWDPKZSE-QGZVFWFLSA-N 384.524 3.677 0 40 GHAB Cc1cccc(-c2cc(CC3(C(=O)O)CCN(C(=O)CC(C)C)CC3)on2)c1 12366491 RTPZRDQDSIBXBY-UHFFFAOYSA-N 384.476 3.932 0 40 GHAB CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2ccccn2)sc1C 12685908 VZVSVRGXVMFRHF-UHFFFAOYSA-N 395.484 3.913 0 40 GHAB COc1ccc(Cn2nnnc2Sc2nc(C)nc3sc(C)c(C)c23)cc1 12799463 BVNOZUIYLGGZEW-UHFFFAOYSA-N 398.517 3.811 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1Cl 12891410 WPXJHTLRJGWKDN-GFCCVEGCSA-N 378.881 3.901 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)cc1 12917493 QRDQYNJWJXVNTI-QGZVFWFLSA-N 396.306 3.984 0 40 GHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(F)cc1F 12972323 DFQUIIAAAOOZPB-UHFFFAOYSA-N 375.400 3.663 0 40 GHAB COc1cc(/C=C/C(=O)O[C@@H]2CCCC2=O)ccc1OCc1c(C)noc1C 13135353 NMNSOYUTJXOUFW-XSFOEPMVSA-N 385.416 3.557 0 40 GHAB CC[C@H](C(=O)N1CCCc2ccccc21)N(c1ccc(C)cc1)S(C)(=O)=O 13713986 OZIJFAWFNQGULD-LJQANCHMSA-N 386.517 3.519 0 40 GHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cc(O)nc2ccccc12 14138888 MPPYMQROTCJGTE-UHFFFAOYSA-N 399.332 3.792 0 40 GHAB CN(Cc1ccc(C(C)(C)C)cc1)Cn1nc(SCC(N)=O)sc1=S 14202012 PXCYABAJWWRQBK-UHFFFAOYSA-N 396.607 3.638 0 40 GHAB CCSc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)s1 15973859 LTTQCUUNKVCQRG-UHFFFAOYSA-N 375.479 3.615 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 16103232 ZJRJOXKUVWNBNP-UHFFFAOYSA-N 394.519 3.529 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(CCO)C3=O 16753743 WNIZQDYDSCHJRN-FQEVSTJZSA-N 377.440 3.762 0 40 GHAB COC(=O)c1c(NC(=S)N[C@@H](C)c2ccncc2)sc2c1CCCC2 17076834 CEDIQFPZSLPCED-NSHDSACASA-N 375.519 3.856 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 18131180 IOPJCIDJMNTDRI-HXUWFJFHSA-N 388.533 3.519 0 40 GHAB O=c1[nH]c(-c2ccc3c(c2)OCO3)nc2c1sc(=S)n2-c1ccccc1 18202184 OVLHHZKMWPBWGJ-UHFFFAOYSA-N 381.438 3.900 0 40 GHAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)c3ccc(C)[nH]c3=O)C2)n1 19131445 QKAMDDMZTDGFPD-OAHLLOKOSA-N 394.500 3.530 0 40 GHAB Cc1cccc(-n2ccnc2S[C@H](C(=O)N2CCOCC2)c2ccccc2)c1 19298536 UFPUCBHIEZPFSD-FQEVSTJZSA-N 393.512 3.873 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)cc2NC1=O 19462100 SLBRJTPRBKYFCM-BIBXISHDSA-N 399.834 3.581 0 40 GHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 21756665 VIRDBUWIBWNOOY-UHFFFAOYSA-N 396.871 3.969 0 40 GHAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](c1ccccc1)N1CCN(C)CC1 22584556 LDVMRSNXMJHWJZ-BERWSQRFSA-N 395.591 3.696 0 40 GHAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(Cc2ccsc2)CC1 22916275 CEBZURKWMLVCIA-ZDUSSCGKSA-N 381.904 3.685 0 40 GHAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 23924087 VSUFFVNWZYKIJK-OAHLLOKOSA-N 383.444 3.615 0 40 GHAB COC(=O)c1cc2ccccc2cc1OC(=O)COc1ccc(C)cc1OC 24042317 JOXKQDCORTUWCA-UHFFFAOYSA-N 380.396 3.928 0 40 GHAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(C(F)(F)F)cc1 24044937 YKERUWXOBWVUOZ-GOSISDBHSA-N 378.394 3.509 0 40 GHAB COc1ccc(OC)c(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)c1 24356244 ATLGQUHQGWTYTN-UHFFFAOYSA-N 385.464 3.739 0 40 GHAB O=C(NC[C@@H]1CCCO1)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1 24987091 IVTIBBUGBZGLKI-ZDUSSCGKSA-N 389.427 3.788 0 40 GHAB CSc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)N1CCCCCC1 26119489 XAIPLBWEMMZCBW-UHFFFAOYSA-N 396.578 3.646 0 40 GHAB Cc1ccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)cc1N 27921138 VXGSARAIVBORJM-UHFFFAOYSA-N 385.265 3.837 0 40 GHAB COc1ccc(CN(C2CC2)S(=O)(=O)c2cccc3cc(C)cnc23)cc1 29342041 CHOUDGOLIGDIHR-UHFFFAOYSA-N 382.485 3.905 0 40 GHAB O=C([C@H]1CCCO1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 30181000 AGQRSMJTDXWYFJ-GOSISDBHSA-N 390.936 3.892 0 40 GHAB COc1ccc(C(=O)NCc2ccc(OCc3cccnc3)c(OC)c2)cc1 31712105 FZVGLFHDBIHVPZ-UHFFFAOYSA-N 378.428 3.608 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)cc1 31795961 AHZXHNNJTWSGKD-UHFFFAOYSA-N 381.453 3.812 0 40 GHAB CN(C)C(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN)c1ccccc1 34604066 OHLDJJXRTLZQSU-NRFANRHFSA-N 386.446 3.691 0 40 GHAB COc1ccc(Br)cc1CN(C)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 36491377 LEDCYKNYWBNCCU-JJRVBVJISA-N 397.357 3.830 0 40 GHAB CC(C)(C)CC(C)(C)N1C[C@@H](C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O 39404096 WEOYNACTHPFLBI-LBPRGKRZSA-N 380.558 3.837 0 40 GHAB O=C(NCc1nnc2ccccn12)C1(c2cccc(C(F)(F)F)c2)CCCC1 40017328 HLYPNOURLHYRNB-UHFFFAOYSA-N 388.393 3.876 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(OCc2cccnc2)cc1 40069978 OUHSVRVGPNUPFL-HXUWFJFHSA-N 390.439 3.573 0 40 GHAB O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073327 CSRHGXCFVXAIHD-KRWDZBQOSA-N 377.271 3.914 0 40 GHAB C[C@H](NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccc(NC(=O)C2CC2)cc1 40088137 PBBXVLZJMCQQJS-RBZFPXEDSA-N 395.434 3.545 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 40106657 OOGXPSBYTPOLOX-MRXNPFEDSA-N 396.468 3.893 0 40 GHAB CCc1ccc(CNC(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 41253734 ILPHKXWUOMIXGH-UHFFFAOYSA-N 395.890 3.833 0 40 GHAB COc1cc2nc(CN[C@H](C)c3ccc4ccccc4c3)[nH]c(=O)c2cc1OC 49609455 BNVQFDTZSHFSHY-CQSZACIVSA-N 389.455 3.944 0 40 GHAB Nc1nc(Cl)cc(NCC2(c3cccc(Br)c3)CCOCC2)n1 52487313 GODXTYSWWDJPIP-UHFFFAOYSA-N 397.704 3.635 0 40 GHAB C[C@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccc(Cl)cc1 57604091 RQNUVKIMFHIAMP-NSHDSACASA-N 391.924 3.669 0 40 GHAB COc1ccc(-c2nc(CN3CCN(c4ccc(O)cc4)CC3)cs2)cc1 57891759 FJNKNGWSLTWTCB-UHFFFAOYSA-N 381.501 3.847 0 40 GHAB CC1CCN([C@H](C)CNC(=O)C2(c3cccc(Br)c3)CC2)CC1 60156447 CRXRQNJIWGEMPJ-OAHLLOKOSA-N 379.342 3.717 0 40 GHAB CN(C)c1ccc(Cl)cc1NC(=O)c1nc(N2CCCC2)ncc1Cl 67026332 VLFPKFNAUQBYBF-UHFFFAOYSA-N 380.279 3.702 0 40 GHAB CCc1cccc(Oc2ccc(NC(=O)C(=O)NCCc3cccs3)cn2)c1 70752081 BYGOHEFWUJLSEP-UHFFFAOYSA-N 395.484 3.795 0 40 GHAB COC(=O)c1cc(NC(=S)Nc2cc(F)ccc2C)cc(C(=O)OC)c1 71761586 WTYJQWZLOOCOJB-UHFFFAOYSA-N 376.409 3.516 0 40 GHAB COc1cc(C)ccc1CN1CCC[C@H]1c1cncc(Nc2nncs2)n1 72376394 HPPZAYWISLKWJX-INIZCTEOSA-N 382.493 3.726 0 40 GHAB O=C(c1cccnc1)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 72378141 VLFSTYHMTPVDKE-MRXNPFEDSA-N 396.878 3.709 0 40 GHAB Oc1cc(C2CCN(Cc3c(F)cccc3F)CC2)nc(-c2ccncc2)n1 72392715 XKEYTFOWLKFOBT-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB CC1CCN(c2cc(NC(=O)Cc3ccc(Br)cc3)ncn2)CC1 77100916 DXHJCNSKAALEQY-UHFFFAOYSA-N 389.297 3.657 0 40 GHAB COc1cccc(-c2nc(CC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cs2)c1 79192616 XEPNXVRPAPTUDP-FXAWDEMLSA-N 399.560 3.742 0 40 GHAB biogenic CC(=O)c1ccc(SCC(=O)Nc2ccc3oc(N(C)C)nc3c2)c(F)c1 83843703 DNYSASVIVYRGHG-UHFFFAOYSA-N 387.436 3.966 0 40 GHAB COc1ccc(F)cc1NC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C 92124299 SQPWMIOGSRPWDQ-INIZCTEOSA-N 385.399 3.798 0 40 GHAB COc1ccc(C(=O)Nc2c[nH]nc2[C@H]2CCCN(C(=O)CCC(C)C)C2)cc1 95998771 YVBUANPUQMHSHB-KRWDZBQOSA-N 398.507 3.813 0 40 GHAB COc1cc2cc(C(=O)N3CCc4c([nH]c5ccccc45)C3)[nH]c2cc1OC 96116443 ONEHKMJNXHAHJE-UHFFFAOYSA-N 375.428 3.865 0 40 GHAB biogenic CC(C)n1ccc(-c2cc(C(=O)N3CCC(N(C)C)CC3)c3ccccn23)n1 96154702 HPVCEDFOFSQYCE-UHFFFAOYSA-N 379.508 3.550 0 40 GHAB CC(C)c1ccc(CN2CC[C@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)cc1 96226038 YFFWGXVPGKAIFG-QFIPXVFZSA-N 378.476 3.565 0 40 GHAB CC[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)OCCCO2 96325025 VODUPCGVBKXNFX-KRWDZBQOSA-N 378.428 3.779 0 40 GHAB O=C(CCSc1ccccc1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 206841927 VSTONSMFJACUSY-QGZVFWFLSA-N 395.484 3.844 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 223094182 VGKNRRUUVXBIQD-HXUWFJFHSA-N 382.504 3.544 0 40 GHAB Cc1cccc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223132579 PUTFYQKLYIJWKG-IBGZPJMESA-N 380.532 3.912 0 40 GHAB COc1ccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)s2)cc1 223343454 XVQQESUXFYNVSY-UHFFFAOYSA-N 375.837 3.885 0 40 GHAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 223887615 KGPYYYZVJQMLKA-QRWLVFNGSA-N 389.517 3.687 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2)c1 223932123 HKMHQWYHWWLARX-UHFFFAOYSA-N 394.496 3.768 0 40 GHAB CCCc1ccc(OCCNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 224335860 MJNSXRZCPGRPBC-UHFFFAOYSA-N 380.488 3.570 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C)c1C 224401212 XXEJJZBTOSWKFW-ZDUSSCGKSA-N 390.505 3.641 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)N(C)Cc3ccccc3)o2)c(OC)c1 224870217 RQOORZRZHUQQKJ-UHFFFAOYSA-N 380.444 3.950 0 40 GHAB O=C(O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccs1 225125109 PAMRLTIOFDZYEC-UHFFFAOYSA-N 389.454 3.820 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F 225247315 IFTKLRHGXPUPSM-JKSUJKDBSA-N 388.458 3.839 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 225384161 ZEPMILOAMQKPME-OALUTQOASA-N 396.531 3.960 0 40 GHAB COc1ccccc1CCCNC(=S)Nc1cccc(N2CCCC2=O)c1 225551584 YBTYPXARIIBJFV-UHFFFAOYSA-N 383.517 3.741 0 40 GHAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1ccccc1F 225727686 JGNPRTSBKGLWLT-UHFFFAOYSA-N 375.197 3.542 0 40 GHAB CCOc1ccc(-c2noc(CNC(=O)c3ccccc3SCC)n2)cn1 225815869 SRKTUVOROWWKTQ-UHFFFAOYSA-N 384.461 3.572 0 40 GHAB CN(c1ccc(CC(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 225980722 BFUVGDWTHRLCKB-UHFFFAOYSA-N 398.459 3.832 0 40 GHAB Cc1cc(N)c(NS(=O)(=O)c2ccc(Br)cc2)cc1Cl 226347649 DADBGTPEZIRDGM-UHFFFAOYSA-N 375.675 3.794 0 40 GHAB O=C(CSC1=N[C@@H]2SC3=C(CCCC3)[C@@H]2C(=O)N1)Nc1ccccc1F 226818337 FHFOPDJUALHSRS-NVXWUHKLSA-N 391.493 3.500 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c(OC)c1 244536291 ZVZQVUYNRYAVPE-CYBMUJFWSA-N 388.851 3.657 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 252537072 KFQHJGUXFCKPET-LLLGYDHXSA-N 380.469 3.689 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCCc2cccc(OC)c2)[C@@H]1c1ccc(C)cc1 257291701 QIFKSCBWYASYFC-GGAORHGYSA-N 394.515 3.662 0 40 GHAB CN(C)c1nc([C@H]2CCN(C(=O)c3nccc4ccccc34)C2)cn2cccc12 257295081 QWXPJFYAVJLTLK-KRWDZBQOSA-N 385.471 3.578 0 40 GHAB O=C(NC[C@H]1CCCOC1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257335994 YMRSFOMUTOXMLQ-HXUWFJFHSA-N 394.515 3.631 0 40 GHAB Cc1nc(COCC[C@H]2CO[C@H]3CN(Cc4ccccc4F)C[C@@H]23)cs1 306125582 CUUOTRMDXFZUOQ-QRFRQXIXSA-N 376.497 3.644 0 40 GHAB Cc1ccc(-c2ccc3c([C@H]4CN(Cc5nccs5)CCO4)nnn3c2)cc1 306144032 YTXHFYCYGGXGGW-LJQANCHMSA-N 391.500 3.735 0 40 GHAB CCCOc1ccc(N2C[C@@H](C(=O)NCc3ccccc3Cl)CC2=O)cc1 408707781 LYAPFEVWHDZYJO-INIZCTEOSA-N 386.879 3.798 0 40 GHAB O=S(=O)(NCCSCc1c(F)cccc1Cl)c1ccc(F)cc1 409026466 QFTQINYFHNKVJR-UHFFFAOYSA-N 377.865 3.830 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1ccc2nnc(C(C)C)n2n1 524733935 FWRFLASXBQLZPD-UHFFFAOYSA-N 391.884 3.641 0 40 GHAB CC1(C)CCCc2sc(NC(=O)N3CCN(Cc4ccncc4)CC3)nc21 558511234 JFAODOSVCKLKSU-UHFFFAOYSA-N 385.537 3.502 0 40 GHAB CC(=O)Nc1nc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cs1 568822658 POOMVASIWLWBMH-AULYBMBSSA-N 394.294 3.540 0 40 GHAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@H]1CCCn3nc(C(C)C)nc31)C2 569634970 JBGFEGXGAWHOQJ-SFHVURJKSA-N 395.507 3.502 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cn1)N1CC2(CCC2)[C@@H]1c1ccccc1 581649762 HVRPWOJWTMLKNR-FQEVSTJZSA-N 378.476 3.677 0 40 GHAB Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cc2c(s1)CCNC2 662789611 APIUWASQDISPAJ-UHFFFAOYSA-N 377.513 3.940 0 40 GHAB O=C1NCCN1c1cccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)c1 1115925196 RVRKEQZEHKQPCT-UHFFFAOYSA-N 379.435 3.828 0 40 GHAB O=C(CSc1nnc(-c2ccccc2Br)o1)N1CCCCC1 645114 KKWBHDHFVOOANH-UHFFFAOYSA-N 382.283 3.604 0 40 GHAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)N1CCC[C@@H](C)C1 904871 UGSUWFZPGZLQJF-MRXNPFEDSA-N 388.537 3.536 0 40 GHAB COc1cccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)c1 910745 KFKKMUHZUSKGMK-QGZVFWFLSA-N 398.768 3.850 0 40 GHAB COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCCC[C@@H]3C)n12 928506 LROOCMICLOQBTK-AWEZNQCLSA-N 384.505 3.693 0 40 GHAB CC[C@@H]1Oc2ccc(C(=O)n3nc(C)cc3C)cc2N(Cc2ccccc2)C1=O 1328651 LYGJVLBIVWZLPY-FQEVSTJZSA-N 389.455 3.893 0 40 GHAB CCC(CC)C(=O)N1CCC[C@@H](c2nc(-c3ccc(OC)c(OC)c3)no2)C1 1362983 OWFODTLQLYLHGG-MRXNPFEDSA-N 387.480 3.896 0 40 GHAB CCCCOC(=O)CCC(Br)(Br)Br 1700201 VHKPNXGXCFGLQX-UHFFFAOYSA-N 380.902 3.948 0 40 GHAB COc1ccccc1N1CCN(c2ncnc3c2[nH]c2ccc(F)cc23)CC1 2303940 NPRYXCAQNDQLAA-UHFFFAOYSA-N 377.423 3.585 0 40 GHAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1 2446572 NJBNLSQULMZEFB-UHFFFAOYSA-N 382.489 3.916 0 40 GHAB O=C1NC[C@H](COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)O1 2656119 HHNBGBOTQRTHTI-CQSZACIVSA-N 382.803 3.820 0 40 GHAB NS(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)cc2Cl)ccc1Cl 3220352 QVECJHPUAXOYHQ-UHFFFAOYSA-N 394.663 3.651 0 40 GHAB CCCc1ccc(C(=O)Cn2nnc(-c3ccccc3Br)n2)cc1 3451353 IQFNKZGDPHBAOC-UHFFFAOYSA-N 385.265 3.938 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)c1C 3479824 JIPHKECJVLCQMA-UHFFFAOYSA-N 397.258 3.614 0 40 GHAB O=C(CSc1nnc(NC(=O)c2ccccc2)s1)Nc1ccc(F)cc1 4078042 GUCBRRGGESLGMG-UHFFFAOYSA-N 388.449 3.660 0 40 GHAB CCOc1ccccc1-c1nn2c(Cn3cnc4ccccc43)nnc2s1 4384044 FZPVOIFCGDHLGJ-UHFFFAOYSA-N 376.445 3.650 0 40 GHAB COc1ccc(NC(=O)COc2ccccc2OC)cc1NC(=O)c1ccco1 4454409 IKPPZVZODWNJKR-UHFFFAOYSA-N 396.399 3.567 0 40 GHAB O=c1c(=O)n(-c2cccc3ccccc23)ccn1Cc1c(F)cccc1Cl 4569909 RKHAWBDKUSBWMJ-UHFFFAOYSA-N 380.806 3.993 0 40 GHAB O=C(CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)Nc1ccccn1 4734495 WPLFDJXAEGZHRU-JOCHJYFZSA-N 382.423 3.747 0 40 GHAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NCC1CCCCC1 4985567 QCSRLAUZSBVDQJ-UHFFFAOYSA-N 384.549 3.992 0 40 GHAB COc1ccc(C)cc1-n1nnnc1SCCCC(=O)c1ccc(F)cc1 4997804 IWTPAMDASLMQRY-UHFFFAOYSA-N 386.452 3.874 0 40 GHAB O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)s1 5689843 XZGWDZIJBDEXEI-UHFFFAOYSA-N 380.872 3.852 0 40 GHAB C[C@@H]1CCC[C@@H](NC(=O)COc2ncnc3ccc(Br)cc23)[C@@H]1C 5958156 TZRNYRDXGUGTBP-LALPHHSUSA-N 392.297 3.712 0 40 GHAB C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N1CCCC1 6080690 YWAGZBQJKPMSPZ-MRVPVSSYSA-N 378.807 3.505 0 40 GHAB COc1ccc(C(=O)CSc2nnc(COc3c(C)cccc3C)n2C)cc1 6207701 PNGZUBFEBLAWKS-UHFFFAOYSA-N 397.500 3.995 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1OC 6407317 NQNTWXAIFBMSAD-XBXARRHUSA-N 393.798 3.691 0 40 GHAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)cc2)cc1 6479690 KPGWUZAUTWAHLZ-UHFFFAOYSA-N 386.407 3.710 0 40 GHAB CC(C)Cn1c(=O)c(CCC(=O)Nc2ccc(O)cc2)nc2cc(Cl)ccc21 6754998 DCWQJDCDLAXTQC-UHFFFAOYSA-N 399.878 3.983 0 40 GHAB CCN(CC(=O)Nc1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1 6779376 SIKHWAAQMSBHAJ-UHFFFAOYSA-N 382.485 3.798 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(N2CCCCCC2)cc1 7230164 JPXZFKDLICEATM-UHFFFAOYSA-N 390.487 3.724 0 40 GHAB COC(=O)c1sc2nc(/C(Cl)=C/c3cccc(OC)c3)[nH]c(=O)c2c1C 7488919 HGDURZDNASNYFX-WQLSENKSSA-N 390.848 3.825 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2ccc3c(c2)CCCC3)c1 7735245 IENXQLXAKQUGAS-UHFFFAOYSA-N 377.893 3.804 0 40 GHAB CCCn1c(SCC(=O)NCCCc2ccccc2)nc2ccccc2c1=O 8195383 KUMAUZPCFJWLET-UHFFFAOYSA-N 395.528 3.648 0 40 GHAB CCOC(=O)c1oc2ccccc2c1COC(=O)[C@H]1COc2ccccc2C1 8252854 IUUWJPBLQXYOJJ-OAHLLOKOSA-N 380.396 3.904 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CCC(=O)c1ccc(Cl)s1)CC2 8769829 YPYUWUCVQKGTKP-UHFFFAOYSA-N 393.892 3.967 0 40 GHAB Nc1nc(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n[nH]1 9513318 BVEZJGWSVDICLC-ZDUSSCGKSA-N 393.394 3.878 0 40 GHAB COc1cccc(-c2nnn([C@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)n2)c1 9533182 BHBOYZYOZRSFLG-NRFANRHFSA-N 399.454 3.885 0 40 GHAB CC(C)Cn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccco1 9566764 ZVLJFCXAQHOXHT-CABCVRRESA-N 376.526 3.981 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)N3CCC[C@@H]3c3ccccc3)C(=O)[C@H]2C)cc1 9957748 NYYFEWCYLRJDEU-YLJYHZDGSA-N 391.471 3.516 0 40 GHAB CN(C)c1ccc(CC(=O)N[C@H](Cc2ccccc2)c2n[nH]c3ncccc23)cc1 12088244 CZPMIVSJQOBMGE-OAQYLSRUSA-N 399.498 3.667 0 40 GHAB CCN1CCN(c2ccc(NCc3cc4ccc(C)c(C)c4[nH]c3=O)cc2)CC1 12088338 FVDICNLAECYHBL-UHFFFAOYSA-N 390.531 3.899 0 40 GHAB C[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccn1-c1ccccc1F 12118142 CAGMVSXZJXNPTQ-INIZCTEOSA-N 382.435 3.728 0 40 GHAB CSCC[C@@H](NC(=O)Nc1ccc(F)cc1F)c1nnc2ccccn12 12230486 LJKSPEMZHUXZDT-CQSZACIVSA-N 377.420 3.623 0 40 GHAB Cn1ccnc1SCCNS(=O)(=O)c1ccc(C2CCCCC2)cc1 12539755 NAOIDSKMNMGMEY-UHFFFAOYSA-N 379.551 3.538 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 12764619 VVFMUUVBGUAHBW-UHFFFAOYSA-N 385.826 3.559 0 40 GHAB C[C@@H](OC(=O)Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[C@H]1C 12933088 KNVGPEZGPPDQEJ-XJKCOSOUSA-N 382.298 3.618 0 40 GHAB CN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 13015755 ITRWMCIMRVXQDV-LBPRGKRZSA-N 393.306 3.522 0 40 GHAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 13647140 NEYTVGOYXUNMRP-UHFFFAOYSA-N 390.244 3.589 0 40 GHAB Cc1ccc(C2=N/C(=C\c3cccc(I)c3)C(=O)O2)cc1 13925332 FIZNNPNWDJROOE-GDNBJRDFSA-N 389.192 3.944 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)on1 14566361 SSFCIYYCZRJUGQ-WCQYABFASA-N 381.432 3.773 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c(C)c1 15543882 OODPDBSCUIAGEC-UHFFFAOYSA-N 385.552 3.665 0 40 GHAB COc1cc(C(=O)NCCCN2CCCCC2)ccc1OCc1ccccc1 17812344 IEYHGVXYKYOUNX-UHFFFAOYSA-N 382.504 3.880 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(I)cc1 17970642 HBLWEPZBIGFJTD-LLVKDONJSA-N 381.213 3.791 0 40 GHAB Cc1csc2ncc(C(=O)N3CCC(CCc4ccccc4F)CC3)c(=O)n12 19240346 RNEBNQUPDGAOMH-UHFFFAOYSA-N 399.491 3.689 0 40 GHAB O=C(c1ccccc1Cn1ccnc1)N1CCCC[C@@H]1CN1CCCCCC1 19349794 LOZZOSPQRZBOQJ-OAQYLSRUSA-N 380.536 3.802 0 40 GHAB CCc1nnc2n1C[C@@H](c1ccc(NC(=O)c3sc(C)nc3C)cc1)CC2 19698995 PSJFLVVNCGIYOY-HNNXBMFYSA-N 381.505 3.896 0 40 GHAB COc1cc(NC(=S)NC(=O)c2ccccc2)ccc1-c1ccc(CO)o1 20151479 AIGDKHALYPDJJC-UHFFFAOYSA-N 382.441 3.574 0 40 GHAB C[C@@H]1c2ccsc2CCN1C(=O)CCCNC(=O)c1ccc(F)cc1F 21638739 SSGSKHCFYZVCHY-GFCCVEGCSA-N 378.444 3.682 0 40 GHAB O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccccc1N1CCCCC1 22457885 KATBYCBPLVGOSL-UHFFFAOYSA-N 384.568 3.566 0 40 GHAB Cc1ccc(OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 23115073 XPTPHCWVFYDMLF-LJQANCHMSA-N 394.437 3.576 0 40 GHAB FC(F)(F)c1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 23256054 VMZWCXCYGWLQFH-UHFFFAOYSA-N 378.394 3.752 0 40 GHAB CNc1nc(S[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)nc2ccccc12 24599280 LDMAPIXTYDPXRF-LBPRGKRZSA-N 398.488 3.808 0 40 GHAB O=C(Nn1cnc2ccccc21)c1ccc(OCc2cn3ccccc3n2)cc1 24929216 BTOZUFDAWBFUAX-UHFFFAOYSA-N 383.411 3.647 0 40 GHAB O=C(Cc1ccc(Br)cc1)N1CCO[C@H](c2ccc(F)cc2)C1 29112532 IJLUAPAYRQLMKQ-KRWDZBQOSA-N 378.241 3.731 0 40 GHAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 32585359 MEWOTEVNBXRFHS-UHFFFAOYSA-N 375.780 3.945 0 40 GHAB COc1ccc(CN(C)Cc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 32855900 JUOJVHAPZIXSCZ-UHFFFAOYSA-N 389.455 3.678 0 40 GHAB O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN(c2ncccn2)CC1 34892379 SLPDENLVPPBSJD-QFIPXVFZSA-N 397.482 3.704 0 40 GHAB O=C(c1ccc2cn[nH]c2c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 40040725 FUVGEWLKOXBHBL-UHFFFAOYSA-N 388.393 3.540 0 40 GHAB O=C(c1cccc(OC(F)F)c1)N1CCN(Cc2ccc(Cl)s2)CC1 40162110 SORJUPPCFRDIES-UHFFFAOYSA-N 386.851 3.961 0 40 GHAB O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc(Br)ccc1F 47244170 FZXVJFFSBJGQPN-UHFFFAOYSA-N 379.164 3.560 0 40 GHAB CCCc1nnc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)s1 48343561 HDGZPBXSICVHCO-HNNXBMFYSA-N 386.521 3.598 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(C3CC3)no2)c1 49001790 RKHAOULTZBKQBY-UHFFFAOYSA-N 375.475 3.809 0 40 GHAB O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)s2)cc(C(F)(F)F)c1 52471792 HRYAEWFGWFGWMO-UHFFFAOYSA-N 385.772 3.919 0 40 GHAB C[C@H](NC(=O)Cc1ccc(F)c(Br)c1)c1nc2ccccc2[nH]1 54128528 LCUVPUGGQDPHSP-JTQLQIEISA-N 376.229 3.884 0 40 GHAB O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1F)c1cnccn1 54211619 UIDOMQWXUHUEIX-KRWDZBQOSA-N 386.224 3.898 0 40 GHAB COC(=O)c1cc(NCCC(=O)c2ccc(Cl)cc2)cc(C(=O)OC)c1 55175004 OEZFNOCMLKDLHA-UHFFFAOYSA-N 375.808 3.598 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1cccs1 56945264 IMTREFVLTNSTMR-GOSISDBHSA-N 381.501 3.634 0 40 GHAB Cc1nc(SCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)oc1C 58244463 ZOVBHOQUTDIDPZ-STQMWFEESA-N 375.494 3.636 0 40 GHAB O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 58245533 HHKXVDLLHDGAAS-CQSZACIVSA-N 388.773 3.920 0 40 GHAB CCN(CC)Cc1nnc2sc(COc3ccc(Cl)cc3Cl)nn12 61722151 UWMUCCKQOJBZAW-UHFFFAOYSA-N 386.308 3.913 0 40 GHAB C[C@@]1(C(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)CC1(Cl)Cl 65563937 WLPVSTCHYNJNSX-KRWDZBQOSA-N 379.291 3.762 0 40 GHAB Cc1ccc(F)cc1/N=c1\oc2cc(O)ccc2cc1C(=O)NC[C@@H]1CCCO1 67298766 XCXDPHNSDUSWMH-QEQSUZCXSA-N 396.418 3.727 0 40 GHAB COc1ccc(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 67747789 WACYFTGBIAKGKQ-LLVKDONJSA-N 398.356 3.977 0 40 GHAB O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccc(Cl)cc1Cl 70926850 JVNOYBWHMRNTGT-UHFFFAOYSA-N 392.286 3.671 0 40 GHAB Cc1cc2c(nc1C)oc1c(SCC(=O)NCCc3ccccc3)ncnc12 71279748 UPWYPDNITLVKJF-UHFFFAOYSA-N 392.484 3.839 0 40 GHAB CC(C)(C)OC(=O)NC1CCC(OC(=O)CSCc2ccncc2)CC1 71803640 XUBVOBMEZHDJHB-UHFFFAOYSA-N 380.510 3.694 0 40 GHAB O=C(CSc1ccc(F)cc1)N1CC(c2nc(-c3ccsc3)no2)C1 77099598 ZWSBXOZOOQWDLM-UHFFFAOYSA-N 375.450 3.655 0 40 GHAB COc1ccc(OC)c(CN2CCN(c3nc(C(F)(F)F)cs3)CC2)c1 79109336 KYJSIAAJNJFXBK-UHFFFAOYSA-N 387.427 3.501 0 40 GHAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 89558851 DKEHQLHRZJMYII-VXGBXAGGSA-N 391.459 3.505 0 40 GHAB O=C(CCc1ccc2ccccc2c1)NC[C@@H]1CN(Cc2ccccc2)CCO1 89834960 ABHVCVWELGSYIC-XMMPIXPASA-N 388.511 3.790 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 95481626 BKPHVHHAIRHMAL-UHFFFAOYSA-N 377.853 3.519 0 40 GHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 95482568 MCSCUAWXBHXCQI-QHCPKHFHSA-N 396.531 3.942 0 40 GHAB COc1cccc([C@@H](CNS(=O)(=O)c2cc(Cl)ccc2Cl)OC)c1 96390340 VDJSHZKUUDZITN-OAHLLOKOSA-N 390.288 3.668 0 40 GHAB COc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)n[nH]3)CC2)cc1 98212817 OQHJKKTXXZNXIA-UHFFFAOYSA-N 382.489 3.546 0 40 GHAB Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)c1 100626179 PRLYJWJHXKEZHV-BGJURXJTSA-N 398.462 3.805 0 40 GHAB CCOC(=O)c1s/c(=N/C(=O)c2cc(Cl)sc2Cl)n(C)c1C 100838273 YRSKCYFJGHEYLI-DTQAZKPQSA-N 379.290 3.681 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1 129670779 BYSHMPIYRODTSA-UHFFFAOYSA-N 393.770 3.946 0 40 GHAB CC[C@@H](C(=O)NC1CCCCCCC1)N(c1cccc(C)c1)S(C)(=O)=O 220512924 XBAUQSYDSUXCHP-IBGZPJMESA-N 380.554 3.769 0 40 GHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(Cc2ccccc2)CC1 223111364 RTFMUMNMZNFYEJ-LJQANCHMSA-N 378.516 3.677 0 40 GHAB O=C(NCCCN1CCCCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 223371817 FUFABEVDAKYOTB-JZJYNLBNSA-N 397.544 3.511 0 40 GHAB CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)NC)cc1 223409166 ASLMLIGNWBIDBD-QFIPXVFZSA-N 396.531 3.744 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 224121448 JIIOJLCFAHXFRM-OAQYLSRUSA-N 382.504 3.789 0 40 GHAB CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(OC)c(C)c3C)ccc21 225125469 WNAZCTJNDQFXLY-UHFFFAOYSA-N 392.502 3.509 0 40 GHAB COc1c2ccc(C(=O)N3CCc4cc(-c5ccncc5)ccc43)cc2nn1C 225639001 QLLKTLJCFKCUSK-UHFFFAOYSA-N 384.439 3.847 0 40 GHAB CC1CCN(c2cc(N3CCC(C)CC3)nc(NC(=S)NC(C)C)n2)CC1 225888570 CKXKXZYSAFUEKQ-UHFFFAOYSA-N 390.601 3.644 0 40 GHAB Cc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1C 225950601 UXOQAJXJHULSBM-QGZVFWFLSA-N 380.897 3.576 0 40 GHAB CCCCn1nc(-c2cccc(Br)c2)cc(C(=O)OCC)c1=O 225965237 BIZWTYXQEVJGKQ-UHFFFAOYSA-N 379.254 3.650 0 40 GHAB CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 244178940 VHYSSCVEYZFGPR-UHFFFAOYSA-N 396.487 3.757 0 40 GHAB COc1ccc(CN2C[C@@H]3CN(Cc4ccc(F)cc4)CCN3C(C)(C)C2)cc1 253396275 DMAPXSDKMTXHSL-QFIPXVFZSA-N 397.538 3.615 0 40 GHAB biogenic,in-vitro CC(=O)N1CCC[C@@H]2N(C(=O)c3ccc(Cc4ccccc4)nc3)CCC[C@@]21C 257343436 ZTAZOFAWGUEKTI-UPVQGACJSA-N 391.515 3.678 0 40 GHAB O=C(COC(=O)c1cnc(-c2ccccc2)nc1)c1ccc(Br)cc1 408529472 HHXZUYHSRYROQX-UHFFFAOYSA-N 397.228 3.946 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c1 408554514 SQASIAHDGWZEHI-INIZCTEOSA-N 382.485 3.762 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1NC(=O)CC 408697131 HTPJKEDZWXDUEB-UHFFFAOYSA-N 384.404 3.513 0 40 GHAB CCCOc1c(I)cc(/C=C\[N+](=O)[O-])cc1OCC 409064855 QKMVJOPTILXGBR-WAYWQWQTSA-N 377.178 3.726 0 40 GHAB Cc1cccc(OCc2nn(CC(=O)N[C@@H]3CCCC[C@@H]3C)c(=S)o2)c1 409151709 IQJLHBMSQJECAN-GOEBONIOSA-N 375.494 3.788 0 40 GHAB Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)n1 409178606 NETVCPHBUHDJCL-UHFFFAOYSA-N 398.802 3.911 0 40 GHAB Cc1cc(O)c(-c2c(-c3ccc4c(c3)OCO4)oc3cc(C)oc(=O)c23)c(=O)o1 524729822 KUQFDZIUTCZCCQ-UHFFFAOYSA-N 394.335 3.724 0 40 GHAB biogenic COc1cc(-c2noc(-c3ccccc3Cn3cncn3)n2)c2ccccc2n1 572644727 SJVXCNDVAHEIID-UHFFFAOYSA-N 384.399 3.600 0 40 GHAB CCCCN1CCCC[C@H]1C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 585080825 CQPLUABFOFKUJC-QHCPKHFHSA-N 394.563 3.665 0 40 GHAB O=S(=O)(Cc1ncc(Br)cc1Cl)C[C@@H]1CC[C@@H]2C[C@H]2C1 621995520 CEAOBDQXOLRPEI-GMTAPVOTSA-N 378.719 3.849 0 40 GHAB COc1ccc(NC(=O)N[C@@H]2CCO[C@H]2c2ccncc2)c(Br)c1 626355681 VVSHTAMQHMHNPQ-CVEARBPZSA-N 392.253 3.504 0 40 GHAB COc1ccc(-c2csc(C3=C(O)CN(Cc4c(C)n[nH]c4C)C3=N)n2)cc1 1547211150 PYYLDSGRYKYQBZ-UHFFFAOYSA-N 395.488 3.921 0 40 GHAB CCOc1ccc(CN2CCN(C)C[C@@H](Cc3ccnc4cccnc34)C2)cc1 2037838339 DWZFETNLHIZHHU-HXUWFJFHSA-N 390.531 3.635 0 40 GHAB Cc1ccc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c(C)c1 2037840458 NCVKCHXYEJGXOL-UHFFFAOYSA-N 382.479 3.841 0 40 GHAB COc1ccc(S(=O)(=O)NCCc2ccc(-c3ccco3)s2)cc1C 2087182012 XWEHRCFQAGYJDI-UHFFFAOYSA-N 377.487 3.846 0 40 GHAB Cc1nccn1[C@H]1C[C@H]2CN(CC3CCCC3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242520 GNRHJOSMHJPUSC-WOZUAGRISA-N 381.524 3.502 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1C 886823 MCTSHIRHYMLJEL-GOSISDBHSA-N 392.908 3.749 0 40 GHAB COc1ccc(Cc2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1OC 2454245 YWDFJMMIKLIDMM-PKNBQFBNSA-N 381.457 3.798 0 40 GHAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1=O 2648054 DJPKGPSYUDELTN-MRXNPFEDSA-N 391.537 3.545 0 40 GHAB COc1ccccc1CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 3329724 IHBZKYUJJVPMHC-UHFFFAOYSA-N 389.864 3.807 0 40 GHAB Cn1c(SCC(=O)NCCc2ccc(Cl)cc2)nnc1-c1ccccc1 3506106 GPNJXQQCJIKVJP-UHFFFAOYSA-N 386.908 3.587 0 40 GHAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(Br)c(C)c1 3619304 SHDVWNFTBUWZOJ-UHFFFAOYSA-N 378.222 3.562 0 40 GHAB CCc1cccc2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc12 4325787 BGUCDOFVCGFOHV-UHFFFAOYSA-N 379.441 3.764 0 40 GHAB COc1ccc(C(=O)Oc2coc(CSc3nc(C)cs3)cc2=O)cc1 4518820 ARWKXCFJDOGYBH-UHFFFAOYSA-N 389.454 3.925 0 40 GHAB COc1ccc(CNC(=O)CN2CCC(c3nc4ccccc4s3)CC2)cc1 4966562 UTMQQPURXJVINR-UHFFFAOYSA-N 395.528 3.801 0 40 GHAB O=C(O)CCC(=O)NCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 5000374 FWXQVVBSPWGECH-UHFFFAOYSA-N 389.411 3.767 0 40 GHAB Cc1ccc(-n2nnc3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1Cl 5057403 DDKJPURVPQZRRT-UHFFFAOYSA-N 386.242 3.641 0 40 GHAB Cc1cccc(N2CCN3c4ccccc4CC4(C(=O)CCCC4=O)[C@@H]3C2)c1C 5274394 VLRVTAWDXNFDTK-QFIPXVFZSA-N 388.511 3.863 0 40 GHAB Cc1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1Cl 5439253 OVHJVOBEPNNMQD-UHFFFAOYSA-N 378.881 3.831 0 40 GHAB CCOc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c1 5874563 BRINEZMDJFFKHO-UHFFFAOYSA-N 385.489 3.807 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6204857 AFKXAMOOLPWWQN-BZSISCHUSA-N 386.561 3.969 0 40 GHAB O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCC(Cc2ccccc2)CC1 6344156 BCCSBKBBLSPONM-UHFFFAOYSA-N 375.472 3.651 0 40 GHAB Cc1ccc2cccc(Oc3ccc(S(=O)(=O)N4CCCCC4)cn3)c2n1 6510457 CTRYDOBGSNZBNY-UHFFFAOYSA-N 383.473 3.905 0 40 GHAB COC(=O)c1cc(OC(=O)Cc2cccc3ccccc23)cc(C(=O)OC)c1 6545310 CFNQCBJFSYBEDQ-UHFFFAOYSA-N 378.380 3.561 0 40 GHAB O=C(COC(=O)c1cccc2ccccc12)c1cc2c3c(c1)CC(=O)N3CCC2 6590867 QEVCAENYUAYBOE-UHFFFAOYSA-N 385.419 3.715 0 40 GHAB Cc1oc2cc3oc(=O)c(CC(=O)NCc4cccnc4)c(C)c3cc2c1C 6623783 PYBLYPQUQOLQKE-UHFFFAOYSA-N 376.412 3.718 0 40 GHAB biogenic COc1c(C)cccc1C(=O)Nc1ncc(I)cc1C 6632549 VTKDAMGIZBAECN-UHFFFAOYSA-N 382.201 3.564 0 40 GHAB CN1C[C@@H](c2nc3ccccc3n2Cc2ccc(Br)cc2)CC1=O 6664475 RNLHASUBAPBLMD-AWEZNQCLSA-N 384.277 3.793 0 40 GHAB O=C(c1cc(-c2ccccc2O)no1)N1CCN(c2cccc(Cl)c2)CC1 6783128 NBLOGTSXIBSRIN-UHFFFAOYSA-N 383.835 3.663 0 40 GHAB O=C(c1ccccc1)c1c(COC(=O)C2CCCCC2)nc2ccccc2[n+]1[O-] 6785729 HTDAGLJXMOCLFK-UHFFFAOYSA-N 390.439 3.723 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1F)S2 6812147 KVCWALUXAQKMBC-ROUUACIJSA-N 397.479 3.768 0 40 GHAB CCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1C(=O)O 6963946 XAJRITZQZGDNCL-UHFFFAOYSA-N 382.412 3.912 0 40 GHAB C[C@H](NCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccco1 7803702 QDDDTXTUBADNMD-KRWDZBQOSA-N 391.471 3.541 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 8116192 PNFPMTHAPYTUDK-CXUHLZMHSA-N 386.404 3.509 0 40 GHAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3Cl)n2N)c1 8647123 HBAAGQQZOUBHKR-GFCCVEGCSA-N 387.896 3.740 0 40 GHAB CCOC(=O)C1=C(CSCc2ccccc2)NC(=O)N[C@@H]1c1cccs1 8936743 FQDJEMIHWXEYNL-QGZVFWFLSA-N 388.514 3.853 0 40 GHAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)Nc1cccnc1 9303380 DGVNRYMWGXDTHF-UHFFFAOYSA-N 384.819 3.738 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)CNc1cc(OCC)ccc1OCC 9338687 FMCHSUKYPPRFFM-UHFFFAOYSA-N 386.448 3.711 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N(C)c1ccccc1 10287155 DXYQNTDADIYRNK-UHFFFAOYSA-N 386.517 3.692 0 40 GHAB COc1ccc2nc(NC(=O)c3ccc(OCc4noc(C)n4)cc3)sc2c1 11806958 UYKCJZPWPAVWHB-UHFFFAOYSA-N 396.428 3.828 0 40 GHAB CCn1c([C@H](CC(C)C)NC(=O)CCn2nc(C)cc2C)nc2cccnc21 12114149 GMGBCUNXZGNOIS-SFHVURJKSA-N 382.512 3.558 0 40 GHAB Cc1ccc2c(c1)CN(C(=O)c1cc(C(C)C)no1)CC1(CCN(C)CC1)O2 12228271 PNUCZPNTDFWSME-UHFFFAOYSA-N 383.492 3.606 0 40 GHAB O[C@H]1CC2(CCN(C[C@H](O)c3ccc4c(c3)CCC4)CC2)Oc2ccc(F)cc21 12330203 AKXALPNEXAIYSV-VXKWHMMOSA-N 397.490 3.699 0 40 GHAB O=C1C[C@@H](c2nc(-c3ccccc3Cl)no2)CN1c1ccc2c(c1)OCO2 12416016 IKGMZFYSRRWSMX-LLVKDONJSA-N 383.791 3.639 0 40 GHAB Cc1ccc(N2N=C(C(=O)Nc3ccc4c(c3)OCCO4)CCC2=O)cc1Cl 12616905 FLNFUFBGAVWYTP-UHFFFAOYSA-N 399.834 3.541 0 40 GHAB COC(=O)c1cc(Br)ccc1NC(=O)c1cccnc1SC 12768111 IJLLUDSKOJARGS-UHFFFAOYSA-N 381.251 3.605 0 40 GHAB O=C(CSc1ncnc2sccc12)NCc1ccccc1CN1CCCC1 12790103 LLXYKGNKNZUJPD-UHFFFAOYSA-N 398.557 3.696 0 40 GHAB CC(C)n1ncc2cc(C(=O)NCc3ccc(CN4CCCC4)cc3)cnc21 12997796 RHQTWLYTYLRTCX-UHFFFAOYSA-N 377.492 3.538 0 40 GHAB O=C(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)N1CCCCCC1 13610035 MTUJCSNNKYRTPY-UHFFFAOYSA-N 398.528 3.844 0 40 GHAB COCCCNc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CCCC3 13691292 XHWMKPGTHPYIPC-UHFFFAOYSA-N 383.477 3.926 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)cc1 13849582 CBFCHVLTIUIBQE-HNNXBMFYSA-N 382.489 3.994 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1cccc(Cl)c1 15391286 YBPCMBSYYLIGFH-OAHLLOKOSA-N 398.937 3.974 0 40 GHAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 15595990 LSSZQEZKVAVPRD-HNNXBMFYSA-N 388.423 3.909 0 40 GHAB Cc1cc(C)cc(Nc2nc(N(C)CCO)nc3c2cnn3-c2ccccc2)c1 17010810 VTRFEHFAUJYWNN-UHFFFAOYSA-N 388.475 3.604 0 40 GHAB O=C(c1ccncc1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(CC3CC3)CC[C@H]21 19336352 LBHWKGOUYCMZRU-YPAWHYETSA-N 379.479 3.561 0 40 GHAB O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)[C@@H]1CC=CCC1 19343983 RCABPAKGJIBSQL-OAHLLOKOSA-N 379.489 3.541 0 40 GHAB C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc(-c2cccnc2)n[nH]1 19458020 NEVOXUHPSQYLLY-MRXNPFEDSA-N 383.455 3.954 0 40 GHAB COc1ccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 19555293 KJRNURKZTIJBJN-FQEVSTJZSA-N 376.460 3.568 0 40 GHAB Cc1cc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)nc2ccccc12 19660747 DSVROUGTLJFCCU-UHFFFAOYSA-N 395.484 3.508 0 40 GHAB CNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)C)CC1 19700291 DFWIXXZZXMIQAU-UHFFFAOYSA-N 378.516 3.907 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(Br)c2)cc1 20029945 HPLRUJKOOCZZGT-LBPRGKRZSA-N 384.295 3.887 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20040503 XOFRQCWWWNNAAZ-UHFFFAOYSA-N 392.908 3.908 0 40 GHAB O=C(O)[C@@H]1CCCN([C@@H](C(=O)O)c2c(-c3ccccc3)[nH]c3ccccc23)C1 20715993 MXFKKMXYRDBUCK-FOIQADDNSA-N 378.428 3.757 0 40 GHAB CC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NCCc1c[nH]c2ccccc12 20731119 NJNPHFFXDRHNEY-SFHVURJKSA-N 389.455 3.781 0 40 GHAB CCCOc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1OCCC 20914904 ZVNLKJDGMASYKS-UHFFFAOYSA-N 385.464 3.685 0 40 GHAB COc1cccc(CN(C)CC(=O)Nc2cc(C)nn2-c2cc(C)ccc2C)c1 24984389 UUWPLMVUTRKTGA-UHFFFAOYSA-N 392.503 3.877 0 40 GHAB O=C(Cc1ccc2ccccc2c1)O[C@H](C(=O)N1CCOCC1)c1ccccc1 26559617 NGFQARIRFRIXSA-QHCPKHFHSA-N 389.451 3.526 0 40 GHAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1ccc(Br)cn1 28234193 RETYQKVRLYMQFW-MRVPVSSYSA-N 377.164 3.568 0 40 GHAB C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1cccc2ncccc12 31695206 KKKCULOHIDIOMH-ZDUSSCGKSA-N 390.468 3.601 0 40 GHAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2ccc(C(=O)N3CCCC3)cn2)cc1 32789463 ZGIPKMFVHJUOBR-AWEZNQCLSA-N 397.500 3.640 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)NC1CCCCCCC1)c1cccnc1 36576098 ZSPBLIXNNVCGEI-OAQYLSRUSA-N 379.504 3.652 0 40 GHAB CCc1ccc(NC(=O)CCn2c(=O)cc(C(F)F)c3c(C)n(C)nc32)cc1 36621560 YHGUMAXKNKCEOH-UHFFFAOYSA-N 388.418 3.572 0 40 GHAB COCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 44549610 QPCVTUHAFUFAOW-MHZGPWMTSA-N 396.531 3.979 0 40 GHAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2C)c1=O 44840359 LSNDRCAVLOQKFP-CYBMUJFWSA-N 399.878 3.735 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 44946538 FJPWDJBHPGZOFD-QGZVFWFLSA-N 377.824 3.931 0 40 GHAB COc1ccc(CNC(=O)CCSc2ccc(C)cc2)c(OC)c1OC 45402466 GVVJHRAOVAPDQP-UHFFFAOYSA-N 375.490 3.819 0 40 GHAB COC(=O)c1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364495 HUHYAWTWYDDJOG-GOSISDBHSA-N 388.423 3.632 0 40 GHAB O=C(N[C@H]1CCSc2ccccc21)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O 53121635 CWQXHQSYAFHTSV-YOEHRIQHSA-N 388.439 3.671 0 40 GHAB COc1ccc([C@H](NC(=O)c2ccc(N3CCNC3=O)c(C)c2)C(C)C)cc1 53219345 MGMASKPYZVPCRR-HXUWFJFHSA-N 381.476 3.660 0 40 GHAB COc1ccc(NC(=O)COc2c(C)cc(C)cc2Br)cc1N 57340533 DBZNZTSBFBSFEQ-UHFFFAOYSA-N 379.254 3.674 0 40 GHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(c2nc3ccccc3o2)CC1 57552577 SCJIARQECCUUOU-AWEZNQCLSA-N 393.443 3.763 0 40 GHAB CC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2cc(C)ccc2C)CC1 57670566 KTVOLNSZIMIXHC-NRFANRHFSA-N 390.535 3.612 0 40 GHAB COC(=O)c1cc(OCC(=O)Nc2cc(C)cc(C)c2)c2cc(F)ccc2n1 65033302 NRMGQWBVLMHOPJ-UHFFFAOYSA-N 382.391 3.795 0 40 GHAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc(C)c(Cl)c2)cc1 67198517 AGUYKPWLVYSLSR-UHFFFAOYSA-N 397.862 3.828 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H](c3ccccc3)n3cccc3)CC2)cc1 70636897 HATOCWYDMKSWIW-HSZRJFAPSA-N 387.483 3.629 0 40 GHAB COc1ccccc1C(=O)N1[C@H](C(=O)O)COC12CCC(C(C)(C)C)CC2 71980506 JQXIYJUEBYHTMT-PKAMJGAUSA-N 375.465 3.553 0 40 GHAB Cc1cc(C(C)(C)C)oc1C(=O)N1[C@H]2CC[C@@H]1C[C@]21NC(=O)c2ccccc2N1 72327363 ZIBZBVJSCGFPGN-UYFSRDTQSA-N 393.487 3.814 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2C(=O)COc2ccccc2)n1 72354704 QYCWTNXCPSXCRE-LJQANCHMSA-N 392.434 3.607 0 40 GHAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Nc2cccnc2Cl)cc1 89904833 ORIRPZSVQHGTBY-APWZRJJASA-N 375.856 3.648 0 40 GHAB CN(CCc1ccc(Br)cc1)Cc1nnc(C2CC2)n1C1CC1 96008372 ILTBVPAGYWLECY-UHFFFAOYSA-N 375.314 3.927 0 40 GHAB COc1ccc(CC(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)cc1 96296854 UYTZSYUHHFZZLV-GFCCVEGCSA-N 398.390 3.607 0 40 GHAB biogenic,in-vitro Clc1ccccc1[C@H]1Cn2cnc(-c3nc(-c4cccnc4)no3)c2CO1 97086838 PDBJPSZLQFPDML-MRXNPFEDSA-N 379.807 3.920 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)C1 100117190 RDEPUWQJWMJRGU-USYUTLGWSA-N 395.547 3.869 0 40 GHAB CCCCCn1c(=O)c(C(=O)NCCc2ccccc2)c(O)c2ccccc21 100512542 ZYFYENMUGDNXCT-UHFFFAOYSA-N 378.472 3.870 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccccc1OC 219503590 MRUMJXLFQXCZSM-RHSMWYFYSA-N 385.460 3.890 0 40 GHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 222913346 MLQXEHAAZLEJJB-DBVUQKKJSA-N 384.549 3.691 0 40 GHAB CCc1cc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1OC 223659831 GTDYZXQSPIJODH-UHFFFAOYSA-N 391.533 3.912 0 40 GHAB CC(C)c1cc(C(=O)N2CCC[C@@]3(C[C@@H](Oc4cccc(F)c4)CO3)C2)on1 257237858 HINBULAUHOZROW-DYESRHJHSA-N 388.439 3.780 0 40 GHAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)Cc2ccccc2F)n1 257260133 LBKMZMBMDISAMR-GOSISDBHSA-N 380.423 3.794 0 40 GHAB Cc1cc(Nc2ccnc(C[C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)[nH]n1 257315480 VBOJOAHHBRCGLS-INIZCTEOSA-N 382.512 3.613 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 257340718 ZHGQRNLNDKPZBT-IRLDBZIGSA-N 398.478 3.793 0 40 GHAB Cc1ccc(C)c(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccccc2)c1 260902840 WLSZTSZCUHYORE-GOSISDBHSA-N 388.533 3.659 0 40 GHAB Cc1ccc(-c2ccc3c([C@H]4CN(Cc5ccccn5)CCO4)nnn3c2)cc1 306130540 JJBDBLLMPFJKII-JOCHJYFZSA-N 385.471 3.673 0 40 GHAB O=S(=O)(N[C@H](c1ccsc1)c1cccs1)c1cccc2nsnc12 390831175 QGVFWQQMGSXQQD-CQSZACIVSA-N 393.540 3.882 0 40 GHAB COc1ccc(S(=O)(=O)NCCC(C)C)cc1NC(=O)c1ccc(C)cc1 408555745 GAIZFOMXNBILDO-UHFFFAOYSA-N 390.505 3.580 0 40 GHAB COc1ccc2c(c1)cc(C(=O)N[C@@H]1CCc3cc(OC)c(OC)cc31)n2C 524732331 LXIXDGORQBHTCO-QGZVFWFLSA-N 380.444 3.621 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575609468 LSCIYHJKVGPPNC-HNNXBMFYSA-N 399.800 3.761 0 40 GHAB O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)C1(CF)CCOCC1 584701454 UEKDIVZPZQZOIO-HNNXBMFYSA-N 375.469 3.711 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1cncc(Br)c1 585148313 YAMKRBQNTAXHMC-INIZCTEOSA-N 387.233 3.568 0 40 GHAB COc1ccc(CNC(=O)NC[C@H](c2ccsc2)c2ccco2)cc1OC 618256908 NOURMUUGXUYPGC-MRXNPFEDSA-N 386.473 3.990 0 40 GHAB CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 796191 JQUAEPGNWOMLFN-UHFFFAOYSA-N 399.878 3.789 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2C)cc1 894326 UBWBSOWKOHPZEU-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3C)n2C)c1 903576 XOYAMGIEJPPBGJ-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB O=C(Cc1ccccc1F)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2625354 FXDCZOHXDDZHSL-UHFFFAOYSA-N 382.357 3.862 0 40 GHAB C[C@H]1CCCN(C(=O)CSc2nc(N)c3c4c(sc3n2)CCCCC4)C1 2645098 AWWWTZQJPUQNIL-LBPRGKRZSA-N 390.578 3.893 0 40 GHAB Cc1cc2ncn(C[C@@H](O)COc3ccccc3C(=O)OC(C)C)c2cc1C 3194012 DHHGUPXITNAYQS-QGZVFWFLSA-N 382.460 3.658 0 40 GHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc(C)c(Cl)c2)c1 3262812 OYYPTUSUYPLAPZ-UHFFFAOYSA-N 387.896 3.972 0 40 GHAB CCOc1ccccc1N1C[C@H](C(=O)N[C@@H]2CCCc3ccccc32)CC1=O 3363580 RPYQMONEPFSIEL-IEBWSBKVSA-N 378.472 3.632 0 40 GHAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cnc(C)cn1)c1ccccc1 3467247 KAHBJZANWCJPNN-HXUWFJFHSA-N 391.427 3.721 0 40 GHAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(=O)c3ccccc3o2)c(C)c1 3472388 YKTVEIUIZQYXBG-OAHLLOKOSA-N 379.412 3.902 0 40 GHAB CN(C)CCCN(C(=O)COc1ccccc1)c1nc2ccc(F)cc2s1 4359634 WPBGYANLGMLYPY-UHFFFAOYSA-N 387.480 3.799 0 40 GHAB COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCC(C)CC2)cc1 4847678 HQGCKVIZPKEWPH-OAQYLSRUSA-N 395.482 3.690 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4892503 KKKMUOBIVZUJMB-LZGZYFLISA-N 397.519 3.777 0 40 GHAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 4898421 SRKIPLVUEILUTQ-INIZCTEOSA-N 382.460 3.864 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)c(C)c1 4908749 GDNKKFATUVLFRD-UHFFFAOYSA-N 385.552 3.711 0 40 GHAB Cc1csc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2C)n1 4977145 OCPHGBNWVNCCAZ-SNVBAGLBSA-N 377.470 3.505 0 40 GHAB CCc1nnc(NC(=O)c2sc3nc4ccc(OC)cc4cc3c2N)s1 4994029 ROUGQTVSPPVGSK-UHFFFAOYSA-N 385.474 3.707 0 40 GHAB COc1cc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc(Cl)c1OC 5310637 GTINJHKXHSMEAV-JTQLQIEISA-N 388.807 3.512 0 40 GHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C)cc3)n2C)cc1 6078112 LCWZAUFMKGKVER-CQSZACIVSA-N 382.489 3.918 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1CCCCC1 6404301 KDPJEIXAUQRUKO-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1 6441428 CJCKRVVTUYVSQW-UHFFFAOYSA-N 398.440 3.866 0 40 GHAB COC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1 6478679 WBFRHOSPDOTPDN-WQRHYEAKSA-N 397.452 3.783 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(Cl)cc1F 6887105 ONXWYHMHPKLPMJ-UHFFFAOYSA-N 383.128 3.952 0 40 GHAB CCc1cccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4)n3)c2C)c1 6914386 PEYUQZTYEFORQI-UHFFFAOYSA-N 390.472 3.909 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)/C=C/c1cnn(-c2ccccc2)c1 7117686 BJBDZYCZTPJRMI-RORWEDLISA-N 398.470 3.686 0 40 GHAB COc1ccc(-c2nnc([C@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)cc1 7321628 YGIFUJKXUSQDBT-LBPRGKRZSA-N 382.449 3.653 0 40 GHAB O=C(Oc1cccc(-n2cnnn2)c1)c1ccccc1OCc1ccc(F)cc1 7778500 CEISFNBVUMCGAS-UHFFFAOYSA-N 390.374 3.600 0 40 GHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 7813944 VOCRBDKRPVFSPX-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NC3=NCCS3)cc12 8192455 SLRPCISMXINCRC-UHFFFAOYSA-N 376.894 3.881 0 40 GHAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 8338660 ZOSCAWRARDSOCI-OAHLLOKOSA-N 390.534 3.563 0 40 GHAB O=C(CSc1ccncc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 8344136 QSLANQUVIIAYSK-UHFFFAOYSA-N 379.489 3.797 0 40 GHAB Cc1ccc(-n2nnnc2SCc2cc(Cl)c3c(c2)OCCO3)c(C)c1 8428109 MRIROAQXLAKDAC-UHFFFAOYSA-N 388.880 3.996 0 40 GHAB CC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C 8635473 SNEFWFVDGZYPMK-NNWRFLSQSA-N 388.515 3.554 0 40 GHAB biogenic,in-vitro CCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3C2)sc2c1CCCC2 8843832 MRCWSAZUKJSVPY-CQSZACIVSA-N 385.485 3.993 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(Cl)cc21 9872787 XKMSJXHAMLERJK-IBGZPJMESA-N 394.254 3.586 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCCN1CCCCCC1 10111333 QUXVRCHVDIRXLA-UHFFFAOYSA-N 379.353 3.679 0 40 GHAB CC(C)c1ccc([C@H]2c3c(-c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10232536 CRHMUZVZUKFNPY-IBGZPJMESA-N 385.431 3.654 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)N(C)Cc1ccccc1N1CCCCC1 10306600 QAYXXGHERAJXJI-UHFFFAOYSA-N 389.499 3.762 0 40 GHAB COc1ccc2c(c1)c(C(=O)O[C@@H](C(N)=O)c1ccccc1)c(C)n2C1CC1 10571807 NNDGUJUDYWCXFA-HXUWFJFHSA-N 378.428 3.677 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3Cc4ccccc4O3)n2)c(F)c1 10994970 LNMCTFHHUCHMJY-GOSISDBHSA-N 397.431 3.850 0 40 GHAB COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCCO2)CO4)cc1 12442436 UCXGAWNJPHTFAA-SFHVURJKSA-N 393.439 3.800 0 40 GHAB biogenic CC(C)[C@@H](NCC(=O)N1CCc2ccccc21)c1ccc2c(c1)OCCCO2 12862446 GQYWOBCFJYMBMA-HSZRJFAPSA-N 380.488 3.724 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccccc2C)c(C)c1 13070281 WOJAPKLYRCDMKM-LJQANCHMSA-N 381.520 3.668 0 40 GHAB CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715168 LKMIUGKATIAGCB-GOSISDBHSA-N 378.469 3.626 0 40 GHAB COc1ccc([C@@H](O)c2cc3c(cc2NC(=O)c2cccs2)OCCO3)cc1 13957431 QIDIRBSXDIXZPC-HXUWFJFHSA-N 397.452 3.862 0 40 GHAB O=C(Cn1nnc2ccccc21)NCc1ccc(-c2nc3ccccc3s2)o1 14348279 QXVDSCASYZHPIY-UHFFFAOYSA-N 389.440 3.617 0 40 GHAB CNc1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2cccc(F)c2)n1 16189494 BKRVXNQHXAUMFS-UHFFFAOYSA-N 381.802 3.621 0 40 GHAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(OCC(=O)c4ccccc4)cc3)C(=O)[C@H]12 17987197 BCVYHLCHQZPGKH-QFIXIFRTSA-N 375.424 3.650 0 40 GHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCC2)cc(N(C)C)n1 19240838 VZTMKKREBBGYAK-HXUWFJFHSA-N 391.519 3.923 0 40 GHAB COc1cccc2c1cc(C(=O)N1CCC(COc3ccccn3)CC1)n2C 19289865 ADUUFPVRLORIIF-UHFFFAOYSA-N 379.460 3.513 0 40 GHAB C[C@@H](NC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 19310356 LGONGOBRFKXYTJ-CJNGLKHVSA-N 393.505 3.596 0 40 GHAB CNc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCCN3C)ccn1 19592077 DMICZNWVMABPQM-KCZVDYSFSA-N 378.520 3.606 0 40 GHAB CC(C)c1ccc(CN2CCC([C@@]3(c4nccs4)CNC(=O)CO3)CC2)cc1 19696659 FLILDELLNXZZAN-JOCHJYFZSA-N 399.560 3.520 0 40 GHAB COc1ccccc1CC(=O)OCC(=O)Nc1cccc(-c2csc(C)n2)c1 21105920 MJAMLPFTWFTLTH-UHFFFAOYSA-N 396.468 3.852 0 40 GHAB Cc1cc(NC(=O)COc2ccc(Br)cc2Br)on1 22611268 YNVJWDHLJWACCV-UHFFFAOYSA-N 390.031 3.526 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1 22752612 WVBBTHIFTSUWKH-QFIPXVFZSA-N 376.504 3.744 0 40 GHAB CC[C@@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)N1CCCC1 24800808 PTXDHLWKTIZAOS-HNNXBMFYSA-N 378.879 3.577 0 40 GHAB CC1CCN([C@@H](CNC(=O)c2cc3ccccc3[nH]c2=O)c2cccs2)CC1 25382171 XHHKINMDWDEJLA-IBGZPJMESA-N 395.528 3.793 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1F 25475771 XTSKOFOAGPIWQE-INIZCTEOSA-N 393.256 3.981 0 40 GHAB COc1cc(S(=O)(=O)Oc2cccc3cccnc23)c(OC)cc1Cl 26843756 MNRVEDOIFKDNAL-UHFFFAOYSA-N 379.821 3.673 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc2c(cc1Cl)OCO2 27220130 TWDSBIIYGLFQPO-QGZVFWFLSA-N 384.819 3.971 0 40 GHAB COc1cc(C)c(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)cc1OC 27936034 XGPDFAGHOSSSPX-UHFFFAOYSA-N 376.352 3.799 0 40 GHAB CC1=C[C@@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 30881531 BGKTWXVDWXPTKT-ACRUOGEOSA-N 383.536 3.679 0 40 GHAB biogenic,in-vitro Cc1nc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)sc1SCC(N)=O 31798879 JKADRNPZFWHEFY-UHFFFAOYSA-N 391.449 3.680 0 40 GHAB Cc1occc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 32747959 UREXEXNAOWVSTJ-UHFFFAOYSA-N 392.383 3.919 0 40 GHAB CC(C)(C)C(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 32906487 JCLHCRKXGVUTJE-INIZCTEOSA-N 383.423 3.875 0 40 GHAB CCN(CCNC(=O)CCc1nnc(-c2ccsc2)o1)c1ccccc1C 36390723 JECHMCSVEQTHEK-UHFFFAOYSA-N 384.505 3.682 0 40 GHAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2cccc(C(F)(F)F)c2)c1 40096057 ZPFWNKREUAIVCW-HNNXBMFYSA-N 384.354 3.578 0 40 GHAB O=C(NCCCCN1CCOCC1)Nc1ccc(N2CCc3ccccc32)cc1 40151787 BWIGEUBRMFGZSM-UHFFFAOYSA-N 394.519 3.615 0 40 GHAB Cc1ccc(OCC(=O)Nc2nn3c(-c4ccc(C)c(F)c4)nnc3s2)cc1 41076581 VFWRMJSBRITBLT-UHFFFAOYSA-N 397.435 3.626 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)c(C)o1 42380005 FTXVUWHVGYZGCC-HNNXBMFYSA-N 395.415 3.695 0 40 GHAB O=C(c1cccc(CN2CCOCC2)c1)c1ccc(Br)cc1F 43211025 CVSONSAFKIZRTD-UHFFFAOYSA-N 378.241 3.651 0 40 GHAB COc1cc(OC)cc(-c2nc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)c1 44421806 PNJOXCCYDMZOEF-CYBMUJFWSA-N 399.834 3.928 0 40 GHAB CC(C)Oc1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 45490531 OEPDSLHUIGHQGO-UHFFFAOYSA-N 383.444 3.524 0 40 GHAB C[C@@H](N[C@H](c1ccccc1)c1cccs1)C(=O)N1CC(=O)Nc2ccccc21 57452455 RTCYGJVRJIWVLR-QVKFZJNVSA-N 391.496 3.801 0 40 GHAB COc1cc(OC)c(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1Cl 57987626 NLKHJWFRGZVPEW-UHFFFAOYSA-N 388.851 3.732 0 40 GHAB c1nc(N2CCC(CCN3CCOCC3)CC2)c2c3c(sc2n1)CCCC3 58133443 JNZVMTYXYBZWAV-UHFFFAOYSA-N 386.565 3.509 0 40 GHAB O=C(Nc1ccccc1)C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 58160623 LRVFCNCZNKTEIW-JOCHJYFZSA-N 391.515 3.701 0 40 GHAB CC1CCC(C)(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1 58208511 WUYFMIVPHTUAQS-UHFFFAOYSA-N 378.463 3.902 0 40 GHAB Nc1c(Cl)cc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)cc1Cl 58557915 GNPJYJXRMQGPBE-CQSZACIVSA-N 396.299 3.729 0 40 GHAB Cc1nc2cc3c(cc2n1CC(=O)Nc1cccc(C(F)(F)F)c1)OCCO3 64795052 ZBKNASOJFGQCPI-UHFFFAOYSA-N 391.349 3.773 0 40 GHAB CC[C@H](NC(=O)Cn1cc(C=O)c2ccccc21)c1ccc2c(c1)OCCCO2 64986991 ZDROAQFCBROXTA-IBGZPJMESA-N 392.455 3.883 0 40 GHAB CCOc1cc2c(cc1CNCc1cc(OC)c(OC)c(OC)c1)O[C@H](C)C2 65552528 HQOXEJSMYXUDNT-CQSZACIVSA-N 387.476 3.724 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1 68335289 DJRZUAXZIKLJRM-SFHVURJKSA-N 399.579 3.587 0 40 GHAB O=C(Nc1ccccc1-c1ccccc1)[C@@H]1COCC(=O)N1Cc1ccccc1 70641425 LXCDHTUKPGSIJP-QFIPXVFZSA-N 386.451 3.720 0 40 GHAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1COCC(=O)N1Cc1ccccc1 70641531 GDDLLORDIUUWAO-HSZRJFAPSA-N 398.462 3.624 0 40 GHAB Cc1ccc(C)c2sc(N(C)CC(=O)Nc3ccc4c(c3)OCCO4)nc12 70973901 SJUNHGYDVPSQMX-UHFFFAOYSA-N 383.473 3.759 0 40 GHAB Nc1cccc(Cl)c1N1CCN(C(=O)c2cccc(Br)c2)CC1 72230194 DNGDNCSNEQKDGH-UHFFFAOYSA-N 394.700 3.647 0 40 GHAB Cc1ccc(OCn2ccc(C(=O)Nc3cc(-c4ccncc4)n[nH]3)n2)c(C)c1 72255885 BTUQIQHTUCHNDV-UHFFFAOYSA-N 388.431 3.574 0 40 GHAB COc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)nc2c(C)cc(F)cc12 72328795 FTANMKJYHWJALC-UHFFFAOYSA-N 397.425 3.792 0 40 GHAB CCc1nc(-c2cncnc2[C@H]2CCCN(CCCc3ccccc3)C2)no1 72356136 FTKWBMDQRROGQR-SFHVURJKSA-N 377.492 3.901 0 40 GHAB OCc1ccc(-c2cncc([C@H]3CCCN(CCOc4ccccc4)C3)n2)cc1 72359619 OYMPJZVIHICOCG-NRFANRHFSA-N 389.499 3.894 0 40 GHAB CN1CCC(C(=O)N2CCC[C@H](c3cncc(-c4cccc(Cl)c4)n3)C2)CC1 72359850 SDBBHQBOYXIBCW-SFHVURJKSA-N 398.938 3.845 0 40 GHAB CCc1nnc(Nc2cc([C@H]3CCCN3C(=O)c3ccccc3)nc(C)n2)s1 72360194 SBVLWNKYDRZUKE-MRXNPFEDSA-N 394.504 3.920 0 40 GHAB CCOc1cc(NCC2CCN(C(=O)OC(C)(C)C)CC2)nc(SC)n1 83321056 XPVFZMLRQUFLQU-UHFFFAOYSA-N 382.530 3.656 0 40 GHAB CC[C@](C)(CCCNS(=O)(=O)/C=C/c1ccc(Cl)cc1)C1OCCO1 95406751 SZDAKIHMRRZGAF-MOVXZBDNSA-N 387.929 3.800 0 40 GHAB C[C@@]1(C(=O)Nc2ccc(Cc3nnc4ccccn34)cc2)CC1(Cl)Cl 95957291 VOCRUZFIKOEDJG-KRWDZBQOSA-N 375.259 3.843 0 40 GHAB O=C(CSC1CCCC1)NCC1CCN(C(=O)Oc2ccccc2)CC1 96025870 YISXLFFTOQUOBX-UHFFFAOYSA-N 376.522 3.689 0 40 GHAB O=C(NC1CCCCC1)NC1C[C@@H]2CC[C@@H](C1)N2C(=S)NC1CCCCC1 100433899 ASSISOVLAIKDBR-OALUTQOASA-N 392.613 3.821 0 40 GHAB COc1ccccc1CCC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 100750345 HVUQLTFTCOLGJQ-GWJPWWOOSA-N 381.520 3.645 0 40 GHAB CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1 103592286 SZUGBJLWKOLSJE-LJQANCHMSA-N 391.537 3.656 0 40 GHAB C[C@@H](NC(=O)COC(=O)/C=C/c1nc2ccccc2s1)[C@H]1C[C@H]2CC[C@H]1C2 107444785 IUPOOASXKZMCBI-BTRVJTIQSA-N 384.501 3.794 0 40 GHAB CCOc1cc(/C=C2/NC(=S)NC2=O)ccc1OCc1ccccc1Cl 113830379 DODWJTNPDFTFEJ-OQLLNIDSSA-N 388.876 3.663 0 40 GHAB CC(C)c1ccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 113941648 NDFIBCLQOMQTBP-AWEZNQCLSA-N 378.469 3.742 0 40 GHAB COc1ccc(C(=O)NCC2(Sc3ccccc3)CCOCC2)cc1F 211071708 BLGXYSLNNZWUJS-UHFFFAOYSA-N 375.465 3.906 0 40 GHAB CC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)O 217607952 QFXSCLODYHITTI-KGLIPLIRSA-N 376.478 3.635 0 40 GHAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccccc1OC)CC(C)(C)O2 219503209 BYHQXSLQPWOPLS-PBHICJAKSA-N 385.460 3.890 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)c3cc4ccccc4o3)n2)c(OC)c1 219950938 XWNRGCJEVFSRPB-UHFFFAOYSA-N 393.399 3.772 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)c1 220125356 RWVXSJZFBIBBJG-CQSZACIVSA-N 380.897 3.750 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)c1 223620751 AVEDKCPBDYHPEV-UHFFFAOYSA-N 391.880 3.828 0 40 GHAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 223624148 QGYGVMBPVWZZSC-PMACEKPBSA-N 384.549 3.743 0 40 GHAB C[C@@H](CNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccccc1 223699341 NNVNCAZRBGGASJ-KRWDZBQOSA-N 396.512 3.526 0 40 GHAB Cc1cccc(OCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1C 223960517 ASMHAXXXXFZOQR-FQEVSTJZSA-N 384.495 3.850 0 40 GHAB CC(C)CNC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 224013614 NFDPBWDAKWGPGV-UHFFFAOYSA-N 380.488 3.969 0 40 GHAB O=C(COc1cccc2c1CCCC2)N1CCN(C/C=C/c2ccccc2)CC1 224518771 PUVRLSQARBPFRL-JXMROGBWSA-N 390.527 3.802 0 40 GHAB CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1COCc1ccccc1 224752275 YSTOVJQNZQWGJR-UHFFFAOYSA-N 382.504 3.580 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)c(C)c1 225495362 MMVDNEKOHXEGRD-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB Cc1cnc(NC(=O)Cn2cc(-c3cccc(Br)c3)cn2)s1 227164200 AAIJHALCZJWDPM-UHFFFAOYSA-N 377.267 3.716 0 40 GHAB CNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CC2)CC1 257213825 CJFMIKSLPITCBD-UHFFFAOYSA-N 394.490 3.800 0 40 GHAB C[C@@]12C[C@H]3CN[C@@H]1CCCC[C@@H]2N3C(=O)c1ccc(Cc2ccccc2F)nc1 257249148 JGZXVSOTVGTXFK-AYEXWZOKSA-N 393.506 3.947 0 40 GHAB O=C(Cc1cccs1)N[C@H]1CCCC[C@]12CN(Cc1cccs1)CCO2 306125998 DIOXOTFEKXXPQJ-ICSRJNTNSA-N 390.574 3.682 0 40 GHAB Cc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)N1CCCCC1 408621693 LWZRXAQNHIJMHZ-UHFFFAOYSA-N 378.538 3.622 0 40 GHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NC1CCCCCC1 408705097 YCAIDDVARSIZLL-UHFFFAOYSA-N 386.517 3.968 0 40 GHAB Cc1ccc(NC(=O)CSc2n[nH]c(COc3ccccc3F)n2)cc1C 409387173 ZYZSUPFPWAIYBW-UHFFFAOYSA-N 386.452 3.870 0 40 GHAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)N[C@@H]5CCc6ccc(-c7ccccc7)cc65)[C@H]1[C@@H]3[C@@H]42 505979700 UMCVVGJSQXEEIZ-CREDNPDFSA-N 381.475 3.784 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccc(Br)o1 585148236 TUUVQHKTVIDLAJ-CYBMUJFWSA-N 376.206 3.766 0 40 GHAB CCCC(CCC)N1CCN(C(C)=O)C[C@@](O)(COc2ccc(C)c(C)c2)C1 585281842 CCOXICDMWQNKDF-QHCPKHFHSA-N 390.568 3.546 0 40 GHAB Cc1cc(C)c2nc(O)c(CNC[C@H](O)COc3cccc(C)c3C)cc2c1 585283774 HMKVVZAXEXNBHE-FQEVSTJZSA-N 380.488 3.704 0 40 GHAB O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccnc(C2CC2)n1 601649545 OMFZSKXWSLGFAV-FQEVSTJZSA-N 399.454 3.650 0 40 GHAB CC(C)N(C(=O)c1ccc2nnc(C(F)F)n2c1)[C@H]1CCCc2cccnc21 606442856 DKOYKENXITYPMA-HNNXBMFYSA-N 385.418 3.990 0 40 GHAB CO[C@@H](C(=O)Nc1ccnc2c(Cl)cc(Br)cc12)[C@H]1CCOC1 622854785 VICIIEIWYDWQGG-BJOHPYRUSA-N 399.672 3.641 0 40 GHAB C[C@@H](NC(=O)c1ccc(C2CC2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 667827699 ZJUDIUMGBJNHJZ-MRXNPFEDSA-N 377.488 3.921 0 40 GHAB Cc1noc(C)c1[C@H](C)c1nc([C@H]2CN(Cc3ccccc3)[C@@H](C)CO2)no1 680800387 ZKCDSFWDDXGSMI-SUNYJGFJSA-N 382.464 3.788 0 40 GHAB O=C(c1ccccc1)N1CCC2(CC1)Cc1ccccc1CN(CC1CC1)C2=O 1565552101 KGEIALFNOUIAHB-UHFFFAOYSA-N 388.511 3.904 0 40 GHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ncnc2c1CCCC2 1889014782 AQDWYVJHNDBMDE-UHFFFAOYSA-N 375.457 3.984 0 40 GHAB O=C1N(c2ccccc2)CCCC[C@]12CN(Cc1cccc(F)c1F)CCO2 2037984341 YAAVZEWMITUUAS-QFIPXVFZSA-N 386.442 3.753 0 40 GHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 46829803 LPGWGSAUFOCETG-UXPWSPDFSA-N 376.497 3.961 0 40 GHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(Cl)ccc2C)cc1 976029 AUTHGPOWEZNMCW-GOSISDBHSA-N 385.851 3.924 0 40 GHAB CCOc1ccc(-c2nnc(N(C)C(=O)Cc3cccc(OC)c3)s2)cc1 1345535 OEPPVGPQIBBTDD-UHFFFAOYSA-N 383.473 3.818 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2C[C@@H]2CCCO2)c1 1364612 MYMAIAIDYQFRDP-INIZCTEOSA-N 386.521 3.682 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2 79494864 RYGIUFOJSASJDF-UHFFFAOYSA-N 382.460 3.938 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CC 4860547 HICYYYKYPTUJBJ-UHFFFAOYSA-N 386.477 3.996 0 40 GHAB Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccncc1 6139463 SXOSYKMFDWGYLE-UHFFFAOYSA-N 394.287 3.915 0 40 GHAB Cc1ccc2nc(COc3cccc(C(=O)Nc4c(C)nn(C)c4C)c3)cn2c1 22838360 ULIXVWQRFSGLFS-UHFFFAOYSA-N 389.459 3.824 0 40 GHAB CCc1ccc(C(=O)COC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)cc1 8085254 DIBRFKRNOWQPEA-UHFFFAOYSA-N 389.835 3.909 0 40 GHAB Cc1cc(C)c(NC(=O)COc2ccc(C(=S)N3CCOCC3)cc2)c(C)c1 8333343 HBGBDUBHSHDDPS-UHFFFAOYSA-N 398.528 3.637 0 40 GHAB O=C(c1ccccc1)N1CCN(C(=O)c2ccc(C3SCCS3)cc2)CC1 23535579 NTAKVGHOULGWDI-UHFFFAOYSA-N 398.553 3.763 0 40 GHAB O=C1Nc2ccccc2O[C@H]1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 24581546 LULWIZYNOUOKCQ-WBVHZDCISA-N 393.468 3.750 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc4c3CCCC4)ccc21 12541970 BSVVITPLQHZTPB-UHFFFAOYSA-N 384.501 3.665 0 40 GHAB Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)N[C@H](C)c4cccs4)C3)nc2)n1 106877067 LOUIPDYPUXXXNY-CZUORRHYSA-N 397.504 3.595 0 40 GHAB Cc1cc(C)c(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c(C)c1 22390931 DQTXEWGHKIGVSK-UHFFFAOYSA-N 388.533 3.942 0 40 GHAB Cn1c(CNC(=O)c2ccccc2SC[C@H]2CCCO2)nc2ccccc21 12603960 REFHFQROIGWNDF-OAHLLOKOSA-N 381.501 3.774 0 40 GHAB Cc1cc(=O)c(C(=O)N2CCCC[C@H]2C)nn1-c1ccccc1C(F)(F)F 57882698 GUDNLIHEACENBG-GFCCVEGCSA-N 379.382 3.574 0 40 GHAB O=C1CCCC[C@@H]1Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 3309329 NMGQHUJRVSGYJM-SFHVURJKSA-N 390.468 3.637 0 40 GHAB C[C@]12CN(Cc3ccccc3)C[C@@](C)(CN(C(=S)Nc3ccccc3)C1)C2=O 100682636 OGIYZXGYFAIORO-GOTSBHOMSA-N 393.556 3.797 0 40 GHAB O=C1C[C@H](C(=O)N2CCC[C@H]2Cc2ccccc2)CN1c1ccc(F)cc1F 58418967 ZUXXZZWFYDRQRV-WMZOPIPTSA-N 384.426 3.551 0 40 GHAB O=C1c2ccccc2C(=O)N1CCCSc1nccn1Cc1ccccc1 28267235 ALPAMORANWVUOB-UHFFFAOYSA-N 377.469 3.710 0 40 GHAB O=C(O)c1ccc2c([C@H](C(=O)O)N3CCCCC3)cn(Cc3ccccc3)c2c1 36367276 HYEJLFUIWCKHTJ-OAQYLSRUSA-N 392.455 3.999 0 40 GHAB O=C(CN(Cc1ccco1)C1CCCC1)Nc1cc(Cl)ccc1-n1cncn1 48367613 ZJZCOHGERSVMSQ-UHFFFAOYSA-N 399.882 3.897 0 40 GHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC1CC(C)(C)NC(C)(C)C1 12809157 CXMSEEUOXKJXGK-UHFFFAOYSA-N 389.521 3.941 0 40 GHAB O=C(Nc1nc2c(s1)CCCCC2)C1CCN(C(=O)c2cccs2)CC1 12828886 MBJMAWRTVUIDGL-UHFFFAOYSA-N 389.546 3.964 0 40 GHAB CC(C)C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 11677620 ARACZGFHWLTCGP-FQEVSTJZSA-N 386.517 3.744 0 40 GHAB C[C@@H](c1ccccc1Cl)N1CCN(Cc2nc(O)c3sccc3n2)CC1 29686043 XOZAHUQQYVJIHG-ZDUSSCGKSA-N 388.924 3.929 0 40 GHAB COc1cc(OC)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 2664901 JTQXUFTWIDLENL-LLVKDONJSA-N 397.349 3.907 0 40 GHAB Cc1cc(Br)ccc1SCC(=O)N1CC(=O)Nc2ccccc21 12996856 QACKPBJCMMRBMC-UHFFFAOYSA-N 391.290 3.835 0 40 GHAB C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2O)CC1 13072924 LTBNVPZDEXFWRY-CQSZACIVSA-N 393.409 3.560 0 40 GHAB CCOC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C(C)(C)C)CC3 5093218 MLQOXYSKVMLIMI-SNVBAGLBSA-N 380.535 3.791 0 40 GHAB Cc1cc(S(=O)(=O)NCCOC23CC4CC(CC(C4)C2)C3)ccc1Cl 4320445 FIVFSJHGXRKARW-UHFFFAOYSA-N 383.941 3.912 0 40 GHAB CN(Cc1ccc(Br)s1)Cn1nc(-c2ccc(F)cc2)oc1=O 14181841 WATIHIMTTVQTDO-UHFFFAOYSA-N 398.257 3.556 0 40 GHAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccnc1 4525930 VXINHNISUXSZBF-JOCHJYFZSA-N 392.842 3.742 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(C)n3)C2=O)c(C)c1 4747584 BGBLETHZTVHZPE-LICLKQGHSA-N 381.457 3.682 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)c1nc(-c2ccc(Br)o2)no1 4745265 AOXKKPAVMYDWIJ-UHFFFAOYSA-N 396.628 3.718 0 40 GHAB COc1cccc(-n2cnnc2S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1 4843590 VKIPZFRCHBDAQH-CQSZACIVSA-N 396.472 3.598 0 40 GHAB O=C(COC(=O)COc1ccccc1Cl)Nc1ccccc1C(F)(F)F 5995873 MXLIWLCUMXTYHJ-UHFFFAOYSA-N 387.741 3.920 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccs2)c1 7065566 UTNBRMLHCJBFFR-UHFFFAOYSA-N 393.512 3.992 0 40 GHAB C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 7050194 NXDHQMBAHLKIRX-CYBMUJFWSA-N 395.406 3.931 0 40 GHAB Nc1nc(COc2ccc(F)cc2Br)nc(Nc2ccccc2)n1 7256123 NIOOEANQIQWISO-UHFFFAOYSA-N 390.216 3.678 0 40 GHAB COCCCn1c(C)cc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c1C 7472438 UNPRDLZGILXSMJ-UHFFFAOYSA-N 384.505 3.902 0 40 GHAB COc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)[nH]n1 96231150 MVNKETSDHLYPFP-IBGZPJMESA-N 387.443 3.939 0 40 GHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)n2)c(OC)c1 7615843 GNNMTCGIURZRHO-HNNXBMFYSA-N 393.443 3.891 0 40 GHAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cncn1-c1ccc(F)cc1 16102190 PWGLNXQRUSBCCH-UHFFFAOYSA-N 378.451 3.537 0 40 GHAB Cc1nc(SCc2nc(N)nc(Nc3ccccc3)n2)n(CC(C)C)c1C 16130195 BXFSZPMZRZKBRT-UHFFFAOYSA-N 383.525 3.959 0 40 GHAB COc1cccc(COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c1 16208203 FICAFIQPNNMNSA-UHFFFAOYSA-N 375.424 3.835 0 40 GHAB C[C@H]1Sc2ccc(C(=O)NCc3ccccc3CN3CCCC3)cc2NC1=O 8076375 LGJVZGDUBWKPDH-OAHLLOKOSA-N 395.528 3.645 0 40 GHAB C[C@H](NC(=O)CSc1nnc(-c2cccnc2)n1C)c1cc2ccccc2o1 8272134 UROVILSZDIYHOR-ZDUSSCGKSA-N 393.472 3.593 0 40 GHAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 8490021 BOLCUWOOHPQUGT-LLVKDONJSA-N 375.368 3.633 0 40 GHAB Cc1nnsc1-c1nnc2sc(-c3cc(Br)ccc3F)nn12 72405974 HGVHHGGVURMOBK-UHFFFAOYSA-N 397.258 3.581 0 40 GHAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(-n2cnnc2)n1 21721108 KWPURAPGLFDWAZ-UHFFFAOYSA-N 382.383 3.723 0 40 GHAB COc1ccc(-c2[nH]c(=Nc3cccc(C)c3)sc2CC(=O)O)cc1OC 408890502 UUXLWQJIBMQBLK-UHFFFAOYSA-N 384.457 3.928 0 40 GHAB CC(C)(C)CC(C)(C)NC(=O)c1cccc(N2C(=O)c3cccnc3C2=O)c1 408721151 DGEDYKXDGHJYPV-UHFFFAOYSA-N 379.460 3.827 0 40 GHAB CCOc1ccc(C2=N/C(=C\c3ccccc3OC(C)=O)C(=O)O2)cc1OCC 409195158 RRRGPUSPGXDQHK-ATVHPVEESA-N 395.411 3.754 0 40 GHAB Cn1c(=O)n(C)c2cc(NC(=O)CC3(Cn4cccc4)CCCCC3)ccc21 524734511 LXIUFXMLMXBMSS-UHFFFAOYSA-N 380.492 3.658 0 40 GHAB CCOc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1Cl 32601629 QKDJFQPDHDZTBJ-UHFFFAOYSA-N 390.244 3.891 0 40 GHAB O=C(CN1CCCC1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359680 YFMWGPNCQXXOSB-KRWDZBQOSA-N 384.911 3.599 0 40 GHAB Cc1ccc(N2C(SCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 32640602 LDDNTKXJECLREG-HKUYNNGSSA-N 386.542 3.578 0 40 GHAB Cc1cccc(C)c1NC(=O)Cn1cc(-c2ccccc2)c(N2CCOCC2)n1 62006866 PJYIWUAPHMHGMP-UHFFFAOYSA-N 390.487 3.642 0 40 GHAB CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccsc1)c1ccco1 670628939 HJDBHFWTQNFDEP-CQSZACIVSA-N 386.498 3.950 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccc2nsnc2c1 675008347 SZSHUWRKBFMOBD-CQSZACIVSA-N 387.511 3.945 0 40 GHAB CCc1c(C)sc2nc(N[C@@H](CC)CO)n3nc(Cc4ccccc4)nc3c12 32096819 BAXNYWSAXYLJFX-HNNXBMFYSA-N 395.532 3.983 0 40 GHAB COc1ccc2[nH]cc(C(=O)[C@H](C)N3CCN(c4ccccc4OC)CC3)c2c1 34847939 XQXLZFMPOPWCCP-INIZCTEOSA-N 393.487 3.579 0 40 GHAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 38834518 QKQZLTYSKGCORW-INIZCTEOSA-N 386.879 3.977 0 40 GHAB NC(=O)c1ccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)cc1 72348998 HTHPWLBMTQETPB-NRFANRHFSA-N 399.494 3.796 0 40 GHAB CCn1c(=O)sc2cc(NS(=O)(=O)c3cc(C)c(OC)cc3C)ccc21 225125574 ZOHQZEKWMUVYBB-UHFFFAOYSA-N 392.502 3.509 0 40 GHAB CN(CCOC(=O)c1cccc(I)c1)Cc1ccccc1 45221503 NLBXKKWIOHBAJC-UHFFFAOYSA-N 395.240 3.580 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 225093073 FSXFQVFCLCDEJK-RTBURBONSA-N 382.504 3.706 0 40 GHAB CC(C)N(C[C@H]1CCCN(C(=O)c2ccccc2O)C1)C(=O)OC(C)(C)C 48293137 XBGNAKMVWPSRML-INIZCTEOSA-N 376.497 3.890 0 40 GHAB COc1ccc(CSCC(=O)NCc2ccccc2CN2CCCC2)cc1 224758725 WPPMHBIHUSWZRK-UHFFFAOYSA-N 384.545 3.841 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 225574862 MOBCKBAWFIKWDQ-MRXNPFEDSA-N 388.508 3.860 0 40 GHAB O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1cccc(Cl)c1 224257744 UODPOSHUXUYTST-UHFFFAOYSA-N 393.878 3.709 0 40 GHAB COc1cccc(CNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 225835013 RNNUKWYQVZPROV-UHFFFAOYSA-N 383.517 3.808 0 40 GHAB Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O 224875625 RHNFQHPGQVDJOP-QZTJIDSGSA-N 384.892 3.956 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCC2 223184343 BCQBHARYCUHTIK-GFCCVEGCSA-N 380.307 3.977 0 40 GHAB CCSc1ccccc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 44838696 CMGPKIFBIUZDJU-CQSZACIVSA-N 378.519 3.592 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NC[C@@](O)(c1cccs1)C1CC1 77099494 PDJASCYBDRONEQ-KRWDZBQOSA-N 386.300 3.848 0 40 GHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1cccc(N2CCCC2=O)c1 222615515 KMPPSVNBKYKLJB-KRWDZBQOSA-N 392.499 3.776 0 40 GHAB COC(=O)N1CCc2ccccc2[C@@H]1C(=O)Nc1ccccc1OC(F)(F)F 77200013 VDESTILKWKCLFQ-MRXNPFEDSA-N 394.349 3.890 0 40 GHAB COc1ccccc1CNC[C@H]1Cn2c(-c3cccc(Cl)c3)cnc2CO1 96269362 VLWHHAMUZDRKNA-SFHVURJKSA-N 383.879 3.901 0 40 GHAB biogenic,in-vitro O=C(c1ccc(CN2CCCC2)cc1)N1CCN(/C=C/c2ccccc2)CC1 95481730 QIZNBWZMQJZODU-NTCAYCPXSA-N 375.516 3.711 0 40 GHAB C[C@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)CCCC2 96997210 QPRRQTHGROIRIH-KRWDZBQOSA-N 392.499 3.948 0 40 GHAB CC(C)CNC(=O)c1cccc(CN2CCC[C@@](CO)(c3ccccc3)C2)c1 585080169 AMXRWABTMSZPIF-XMMPIXPASA-N 380.532 3.599 0 40 GHAB COc1cc(CNc2ccc(C(N)=O)c(N3CCCCC3)c2)c2c(c1)C[C@H](C)O2 585080696 KRIZFHFSWYIMCH-HNNXBMFYSA-N 395.503 3.720 0 40 GHAB COc1ccccc1Cc1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)ccn1 257283625 OZCBEGSEZHFFHQ-UPVQGACJSA-N 393.531 3.770 0 40 GHAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3cncc(C)c3)CCO2)n1 257202180 AKTWLPAEFNGXTI-HXUWFJFHSA-N 392.459 3.525 0 40 GHAB O=C(CCN1C(=O)CCc2ccccc21)NCc1ccc(-c2ccncc2)cc1 606814079 KTLCMKNIJNBGIY-UHFFFAOYSA-N 385.467 3.734 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96102816 BBXLNDXUUCXTAV-AWEZNQCLSA-N 383.473 3.972 0 40 GHAB O=C(CCC(=O)N1CCN(Cc2ccsc2)CC1)c1ccc2c(c1)CCC2 28409941 ALIPOTDGURCNAA-UHFFFAOYSA-N 382.529 3.544 0 40 GHAB O=c1cc([C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)nc(-c2cccnc2)[nH]1 72393068 NNJSSADEDRFXDO-QGZVFWFLSA-N 380.879 3.865 0 40 GHAB COC(=O)c1c(NC(=O)CN[C@@H](C)c2ccc(F)cc2F)sc2c1CCC2 57315199 AOVQUGFFPXRROJ-JTQLQIEISA-N 394.443 3.591 0 40 GHAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)NCc1ccc(Cl)cc1 57697292 CDXSBKOXRNEDLF-QGZVFWFLSA-N 378.925 3.699 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1NCc1ccc(F)cc1 95941082 MZQRDEFODIHYIA-CEXWTWQISA-N 378.488 3.720 0 40 GHAB CCc1ccc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cc1 1615156712 MLRGOBHIGBCXDW-QHCPKHFHSA-N 382.479 3.786 0 40 GHAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CCSc1ccc(F)cc1 5363895 LSBBBFLASZCBPA-ZDUSSCGKSA-N 377.437 3.887 0 40 GHAB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]21OCO[C@]12COCO2 5359767 WFZVFCIUAYURKP-PIJMTBMVSA-N 388.504 3.962 0 40 GHAB biogenic,in-vitro COc1ccc(C2(CNC(=O)CCOc3cccc(C)c3)CCOCC2)cc1 5429138 AFNURFCVSDEYAH-UHFFFAOYSA-N 383.488 3.637 0 40 GHAB Cc1c(O)ccc2c(COC(=O)c3ccccc3OC(F)F)cc(=O)oc12 12779162 KUGJDMBRBXIYQJ-UHFFFAOYSA-N 376.311 3.765 0 40 GHAB Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 14507961 UQPGFRRCQIFFQR-PJVWNMJMSA-N 380.532 3.819 0 40 GHAB O=C(O)c1cc(NC(=O)c2cc(Cl)c3ccccc3c2O)cc(C(=O)O)c1 16525370 HAYRTSZETZXFIJ-UHFFFAOYSA-N 385.759 3.848 0 40 GHAB COc1ccc(C)cc1CN1CCC[C@@H]1c1nc(O)cc(-c2ccccn2)n1 19133486 QXNFWICIWBSPDX-LJQANCHMSA-N 376.460 3.898 0 40 GHAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccncc2)C1)c1cccs1 19400761 OGCHUPSANHBIES-WIYYLYMNSA-N 392.528 3.921 0 40 GHAB CCOc1cc(CN2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)ccc1OC 19531928 UMVPAKHPSSSIQO-HSZRJFAPSA-N 397.519 3.578 0 40 GHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)n1 19572811 WBQMYNLZCBQABA-MJGOQNOKSA-N 391.519 3.988 0 40 GHAB COc1ccc(C(=O)N[C@H](C)Cn2c(C(F)(F)F)cc3cccnc32)cc1 19575473 JNCRZQDGXVWVNI-GFCCVEGCSA-N 377.366 3.882 0 40 GHAB Cc1nn(C)cc1-c1cc(C(=O)NCCN(C)c2ccccc2)c2ccccc2n1 19664653 GQXQMRIRFMOUDI-UHFFFAOYSA-N 399.498 3.810 0 40 GHAB COc1cccc2cc(C(=O)N3CC[C@](O)(c4ccc(C)cc4)C3)c(C)nc12 19715222 FMKHUUBDUKRVGM-HSZRJFAPSA-N 376.456 3.594 0 40 GHAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCCN3CC(C)C)nc2C)c1 19764362 KAKRSQAUWLVYAU-OAQYLSRUSA-N 396.535 3.907 0 40 GHAB CC[C@@H](C(=O)NC1CCN(c2nc(C)nc3c2CCCC3)CC1)c1ccccc1 225739936 RFCBVOJENYNTGS-HXUWFJFHSA-N 392.547 3.943 0 40 GHAB CC(=O)N1CCCCCCCN(C(=O)CCc2cnn(C)c2)Cc2ccccc21 643553406 RUKWEJVNYHRCAI-UHFFFAOYSA-N 396.535 3.699 0 40 GHAB Oc1cc(C(F)F)nc(N2CCN(c3nc4c(Cl)cccc4s3)CC2)n1 1888904128 XOQIDDBKGZBEIT-UHFFFAOYSA-N 397.838 3.710 0 40 GHAB CCN1CCc2nc(NC(=O)CCc3c(C)nn(CC(C)C)c3C)sc2C1 21296170 BBAMZQPYVSKIBY-UHFFFAOYSA-N 389.569 3.562 0 40 GHAB O=C(Cc1ccccc1Cl)N1CC[C@@H](Oc2ccc(Br)cn2)C1 238978627 ZZXDTKXIOGNCGT-CQSZACIVSA-N 395.684 3.720 0 40 GHAB CCN1CCN(c2nc3ccc(OC(=O)c4ccc(OC)cc4)cc3s2)CC1 7512654 UDISOUCEWDTSBS-UHFFFAOYSA-N 397.500 3.666 0 40 GHAB COc1cccc(OCC(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)c1 8863203 KZTVPQKYBWUWMW-FQEVSTJZSA-N 388.533 3.869 0 40 GHAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)c1ccccc1C(F)(F)F 11768766 GIEXYRDTJPPFNB-UHFFFAOYSA-N 381.379 3.952 0 40 GHAB COc1cc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)nc(C)n1 12225298 PXRLYKOOWGBBAQ-UHFFFAOYSA-N 378.388 3.518 0 40 GHAB COc1ccc([C@H]2CC(=O)Nc3nc(N)sc32)cc1OCc1ccccc1 15082054 HPXNZXAYONGMSH-CQSZACIVSA-N 381.457 3.787 0 40 GHAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775976667 CWKMIFCJMRIYFU-LJQANCHMSA-N 398.528 3.571 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)N[C@H](C)Cc1csc2ccccc12 575621768 UDKWSVLSUIVXLA-GFCCVEGCSA-N 379.478 3.959 0 40 GHAB O=C(/C=C/c1cc(F)ccc1F)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575615025 AUSFFICMCRIAAD-JEJOPICUSA-N 395.409 3.552 0 40 GHAB O=C1CCc2cc(OCC(=O)Nc3ccccc3SC(F)F)ccc2N1 40043024 OGMZGGKERAIRIK-UHFFFAOYSA-N 378.400 3.904 0 40 GHAB CC(C)SCC(=O)Nc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F 40114376 FSRUMVFVBDBAJS-AWEZNQCLSA-N 381.517 3.719 0 40 GHAB Cc1cccc(-c2noc(CSc3nnc(N4CCCC4)n3C3CC3)n2)c1 30925202 LQMHIEHMSGOGKL-UHFFFAOYSA-N 382.493 3.864 0 40 GHAB COc1ccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)c(OC)c1 101014829 VRJCYZIJXDEOOZ-HNNXBMFYSA-N 376.250 3.769 0 40 GHAB CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C)C3 20814078 ZCCRPFGMZRVLRU-UHFFFAOYSA-N 385.558 3.996 0 40 GHAB CC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)NCCc1ccccc1 32902141 KODVUXBAARPIJB-UHFFFAOYSA-N 395.484 3.699 0 40 GHAB O=C([C@@H]1CCCO1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 644982 WDHDVNAYHSVIOF-RDJZCZTQSA-N 389.249 3.899 0 40 GHAB Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NC[C@H]2CCCO2)cc1 825042 BOOJMJZLMHCDGE-CVNFFVDQSA-N 398.890 3.715 0 40 GHAB CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCc5ccccc54)ccc1c23 956895 UYRJUACNDMJUKF-UHFFFAOYSA-N 378.453 3.571 0 40 GHAB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 2149143 KFFCWEFHVQLMGN-OAHLLOKOSA-N 375.421 3.619 0 40 GHAB biogenic O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccccc1-c1ccccc1 2620867 KUZDOQGRXJZKKJ-UHFFFAOYSA-N 394.471 3.532 0 40 GHAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3ccco3)o2)c1C 2625632 XJEFQWVJNZFXHZ-GFCCVEGCSA-N 375.450 3.930 0 40 GHAB O=C(CSC(=O)CNc1ccc2ccccc2c1)NCC(=O)c1ccccc1 3178203 BRTWVZQTJQMGBJ-UHFFFAOYSA-N 392.480 3.511 0 40 GHAB COC(=O)c1ccc(COC(=O)c2ccccc2NC(=O)c2ccco2)cc1 3242960 VVDKAFYWYLVBQP-UHFFFAOYSA-N 379.368 3.676 0 40 GHAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc(Cl)cc2)C(C)C)c1 3430232 ICMYXCOZWWLOEO-SFHVURJKSA-N 390.867 3.750 0 40 GHAB CC(C)(C)C(=O)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 4078155 FYIGJXSKYJELHJ-UHFFFAOYSA-N 390.534 3.594 0 40 GHAB C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 4541178 FHIAICALTPJHJP-AWEZNQCLSA-N 394.393 3.948 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cccc(F)c1 4736308 MXCXQZIQARKUFU-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB O=C(NC1CCN(C(=S)Nc2ccc(F)cc2)CC1)c1cccc(F)c1 4888668 GZOQFZJYYYSIOC-UHFFFAOYSA-N 375.444 3.556 0 40 GHAB CCn1c(SC)nnc1C1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1 5001376 MOBULISASPGGBY-UHFFFAOYSA-N 387.509 3.634 0 40 GHAB Cc1sc2nc(CS[C@@H](C)C(=O)N3CCc4ccccc43)[nH]c(=O)c2c1C 5254992 YGXZHLPTAQQUBS-ZDUSSCGKSA-N 399.541 3.812 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1cccc(Cl)c1 5255110 BLIRSJODKQLCSH-UHFFFAOYSA-N 398.846 3.950 0 40 GHAB C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1nc2ccccc2c(=O)[nH]1 6604548 DMADJRYSTAVJPN-SNVBAGLBSA-N 394.412 3.555 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)Cn1cnc2sc3c(c2c1=O)CCCCC3 6604627 SUZYUIZXRYAGKQ-AWEZNQCLSA-N 393.512 3.705 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccccc1Br 6651958 JLILVRSYUAJWRW-GFCCVEGCSA-N 389.249 3.592 0 40 GHAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nc(C)cs1 6787899 LIBOYQNYMZUURV-UHFFFAOYSA-N 386.520 3.741 0 40 GHAB Cc1ccc(-c2csc3ncnc(OCC(=O)NCC(F)(F)F)c23)cc1 6930161 PMYKNCWYIUVZEF-UHFFFAOYSA-N 381.379 3.724 0 40 GHAB C[C@H](Sc1nncn1-c1ccccc1F)C(=O)Nc1ccc(F)cc1F 7189571 YVXVBIHGPDMRLX-JTQLQIEISA-N 378.379 3.804 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CSc3ncnc4sccc34)n2)cc1 7201817 PFWAFYHQUNMWJJ-UHFFFAOYSA-N 381.490 3.803 0 40 GHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(C(=O)OC)cc2)CC1=O 7928167 VAZZLTXHUGULGE-GOSISDBHSA-N 394.471 3.590 0 40 GHAB COc1ccc2c(CC(=O)Nc3ccccc3C(=O)N3CCCC3)coc2c1 8936696 KTIQMJYXPXSXFC-UHFFFAOYSA-N 378.428 3.859 0 40 GHAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(C(=O)N2CCCCCC2)CC1 9501264 FEEUSTYVZQTIOK-SFHVURJKSA-N 397.563 3.617 0 40 GHAB CC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 9512193 ZZSJTOGQGUXCFJ-IBGZPJMESA-N 380.444 3.784 0 40 GHAB CCCCC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(F)cc1 9661165 DGSDGYDDMBOITC-UHFFFAOYSA-N 393.426 3.577 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 10978785 FYDHDUZUFUJUHB-OAHLLOKOSA-N 391.471 3.948 0 40 GHAB C[C@H]1CCc2c(C(=O)OCC(=O)N3CCC(c4ccccc4)=N3)csc2C1 11515148 HRPPYNKICBNQTL-AWEZNQCLSA-N 382.485 3.666 0 40 GHAB O=C(CNc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)NC2CC2)c1 11549351 USXSXZSESBTXJF-UHFFFAOYSA-N 378.259 3.936 0 40 GHAB COc1cc(-c2nc3cnccn3c2NCc2ccco2)cc(OC)c1OC 12113816 XCBBEEDWYNVSHO-UHFFFAOYSA-N 380.404 3.627 0 40 GHAB CCN(c1ccc(NC(=O)CSCC(=O)Nc2cc(C)on2)cc1)C(C)C 12537962 LIBPJUCSTJHARV-UHFFFAOYSA-N 390.509 3.528 0 40 GHAB CN(C)[C@@H](CNC(=O)c1cc(Br)ccc1F)c1cccc(F)c1 12772047 FDNIYOPLCXAWKU-INIZCTEOSA-N 383.236 3.760 0 40 GHAB Cc1c(NC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)c(=O)n(-c2ccccc2)n1C 12807390 GKMSWDIFVPLBJX-JTOMGZGXSA-N 377.444 3.853 0 40 GHAB O=C1/C(=C\c2ccccn2)c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 13428711 VHYWWOHFYZOTDD-UNOMPAQXSA-N 384.391 3.534 0 40 GHAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CNc3ccccc3)cc12 13479812 UOSNUIQVFINEND-KRWDZBQOSA-N 382.460 3.515 0 40 GHAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NC1CCCCCCC1 13690436 JWIOBABYNAAEPV-UHFFFAOYSA-N 397.519 3.731 0 40 GHAB COc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2cccc3ccccc23)CC1 13708988 YSYAAXYPXPGRGI-GOSISDBHSA-N 390.483 3.965 0 40 GHAB O=C(c1ccc2nc(C(F)(F)F)[nH]c2c1)N1CCO[C@H](c2ccccc2)C1 13719391 UHRPMDAVZHBEQI-INIZCTEOSA-N 375.350 3.795 0 40 GHAB CC(=O)Oc1cccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)c1 13928517 IZIXUIVWOAMDKA-SXGWCWSVSA-N 386.201 3.719 0 40 GHAB O=C(c1ccc(-n2cnnn2)cc1)N(CCc1cccs1)Cc1cccs1 14181028 DDDCLWIPFZPODP-UHFFFAOYSA-N 395.513 3.670 0 40 GHAB C[C@@H]1C(=O)N(CN2CCc3sccc3C2)C(=O)N1c1ccc(Cl)cc1 14309994 YDFDDRMUAPZYFY-GFCCVEGCSA-N 375.881 3.574 0 40 GHAB COc1ccc(-c2nc(P(=O)(OC)OC)c(NCc3ccco3)o2)cc1 16751542 KCLJWLYXPDVROB-UHFFFAOYSA-N 378.321 3.667 0 40 GHAB CCCCc1nnc(NC(=O)CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)s1 19502387 GGRYXAODZAVAEB-AWEZNQCLSA-N 398.536 3.575 0 40 GHAB CCOc1ccc(-c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)cc1 20177001 SBIHYFXAQCCJKP-UHFFFAOYSA-N 375.472 3.688 0 40 GHAB O=C(O)CCCCCNC(=O)CCn1ccc2ccc(Br)cc21 20727907 LHDJPINZOWMYNK-UHFFFAOYSA-N 381.270 3.555 0 40 GHAB CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C(C)C)C3 20840215 OWARHZVTTBANRS-UHFFFAOYSA-N 385.558 3.995 0 40 GHAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccccc2Br)o1 22246448 UZCLKNHHQAVPMB-WCQYABFASA-N 384.295 3.986 0 40 GHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1csc(-c2cccs2)n1 23817436 ZHSVHKRZSIQNEZ-UHFFFAOYSA-N 391.562 3.637 0 40 GHAB COc1cccc(CC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 24931631 WVSWCRDPPPGZHH-OAQYLSRUSA-N 375.472 3.676 0 40 GHAB COc1ccc(-c2cc(NC(=O)c3cc(=O)c4ccccc4o3)on2)cc1OC 27985402 LIQVEXJVWXRIJA-UHFFFAOYSA-N 392.367 3.718 0 40 GHAB CCc1cc(Br)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 28232565 YZMGNHYDMXXNTF-UHFFFAOYSA-N 392.249 3.800 0 40 GHAB COc1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)o2)cc1 28233827 CDZWOSICPFKMOK-UHFFFAOYSA-N 381.384 3.891 0 40 GHAB CCOc1cccc(CNC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)c1 30751467 PGHQNTRDSCFRBW-AWEZNQCLSA-N 375.490 3.900 0 40 GHAB CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(OC)cc1 30854754 OUQCKKINZUHNPJ-KRWDZBQOSA-N 396.896 3.601 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)cc1 32832200 XUJZIAQRYZVGRU-UHFFFAOYSA-N 378.428 3.859 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)O[C@@H]1CCCCC1=O 32954667 XNIKTQVCFXMUDT-HZPDHXFCSA-N 386.275 3.803 0 40 GHAB Cc1cc(C(=O)NCc2ccccc2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 33271965 ILXYULVCHHYEHJ-UHFFFAOYSA-N 392.480 3.731 0 40 GHAB CCN1C(=O)c2cccc3cc(S(=O)(=O)Nc4ccccc4C)cc(c23)C1=O 35685799 ZTUTVBYSLHYVGF-UHFFFAOYSA-N 394.452 3.565 0 40 GHAB CN(C)C(=O)COc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)cc1 40104842 ZZBYHMJEQPYCTL-ROUUACIJSA-N 375.513 3.880 0 40 GHAB CSc1cc(C(=O)CSc2nncn2-c2ccccc2)ccc1NC(C)=O 43242133 KLVBIYZFNONKJQ-UHFFFAOYSA-N 398.513 3.923 0 40 GHAB CCn1c(SCC(=O)NCCC2=CCCCC2)nc2ccsc2c1=O 46569376 DBOLHRAFMDQAMR-UHFFFAOYSA-N 377.535 3.577 0 40 GHAB O=C(Cc1cc2ccccc2[nH]c1=O)Nc1nc(-c2cccc(F)c2)cs1 47064913 FRWYMMCMZZLECQ-UHFFFAOYSA-N 379.416 3.972 0 40 GHAB O=C(CCc1cccc(Cl)c1Cl)N1CCCN(C[C@H]2CCCO2)CC1 47851422 BADKZUKQIIDYEV-MRXNPFEDSA-N 385.335 3.639 0 40 GHAB CC(C)(C)OC(=O)N1CCC(C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 48301814 IOUSUDDDDNPSHJ-UHFFFAOYSA-N 376.472 3.621 0 40 GHAB O=C(NCc1ccccc1Cl)C1CCN(C(=O)Nc2cccs2)CC1 49028401 VTDWJDVMZRATMT-UHFFFAOYSA-N 377.897 3.962 0 40 GHAB CCSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 55703777 ZZHBKFPBYUEKHN-UHFFFAOYSA-N 390.530 3.835 0 40 GHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 57169480 WFYFYDXMVAXAPU-FCHUYYIVSA-N 377.532 3.541 0 40 GHAB CC(C)(C(=O)Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)OCCO2 58619368 XZSSRLHDLYHCKN-UHFFFAOYSA-N 381.457 3.893 0 40 GHAB Cn1c(SC[C@@H](O)COc2ccc3ccccc3c2)nc2sccc2c1=O 61727653 PMZISMFQGQPGCQ-HNNXBMFYSA-N 398.509 3.680 0 40 GHAB NC(=O)NCc1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1 67239658 PKWRUHATCQXMOO-HXUWFJFHSA-N 375.428 3.614 0 40 GHAB Cc1ccccc1-n1c(=O)c2sccc2n(Cc2cc(F)cc(F)c2)c1=O 67258067 WIAZCJJNYBSRFV-UHFFFAOYSA-N 384.407 3.849 0 40 GHAB Cc1nc2cc(C3CCOCC3)nn2c(NC[C@H]2CCCN(C(C)C)C2)c1C 72337433 YIAJSPUVKYEVDQ-GOSISDBHSA-N 385.556 3.772 0 40 GHAB Cc1c(N)c(Br)cc2nn(-c3ccc(Br)cc3)nc12 73740167 SDOAESBNSDHVEY-UHFFFAOYSA-N 382.059 3.836 0 40 GHAB Cc1ccc(C)c(OC2CCN(CCn3cnc4ccccc4c3=O)CC2)c1 78814748 BWDMYOMXACBQRA-UHFFFAOYSA-N 377.488 3.557 0 40 GHAB CC(C)Cn1nc(CC(=O)Nc2cc(F)c(F)c(F)c2)c2ccccc2c1=O 95472666 YLQFAYZLUPNTBV-UHFFFAOYSA-N 389.377 3.651 0 40 GHAB COc1ccc(C(F)(F)F)cc1NS(=O)(=O)Cc1noc2ccccc12 96124221 PQMXDQZUQOYKTE-UHFFFAOYSA-N 386.351 3.797 0 40 GHAB Cc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)n[nH]3)CC2)cc1F 98212841 XTMNNAUNLFGIKR-UHFFFAOYSA-N 384.480 3.985 0 40 GHAB CC[C@H](NS(=O)(=O)c1cc(Br)ccc1OC)c1ccccc1 107488723 HLGZFWXLSWKBHX-AWEZNQCLSA-N 384.295 3.887 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3ccco3)cc2)cc1 113936227 HVVSBZQCVNWXPI-UHFFFAOYSA-N 398.484 3.751 0 40 GHAB CCc1ccccc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 113965678 HCIPRVKILZAFTN-UHFFFAOYSA-N 396.459 3.712 0 40 GHAB COC(=O)[C@H]1CC(=O)[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118927149 LBPKNGBNCCAHKH-CLSRAMALSA-N 390.520 3.929 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)n1 148136401 CJJYKJZDHAQBNK-UHFFFAOYSA-N 390.487 3.637 0 40 GHAB C[C@@H](C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222917051 DBYFPVQZZKKQCW-KRWDZBQOSA-N 394.446 3.695 0 40 GHAB CCOc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(OC)cc3)n2)cc1 225319490 NNWUNYRVFPUPCI-UHFFFAOYSA-N 395.459 3.735 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 225661960 CEHDVHCVFRKGJY-UHFFFAOYSA-N 396.878 3.839 0 40 GHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225685420 WFCKNWFLOUCVOY-GOSISDBHSA-N 390.405 3.858 0 40 GHAB CC(C)c1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 225945660 ARRQZECEHRYCFN-GOSISDBHSA-N 378.469 3.568 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)N1CC[C@@H](c2noc(-c3ccco3)n2)C1 240122562 WCXBNPPKEOOPBG-OAHLLOKOSA-N 376.416 3.760 0 40 GHAB Cc1cc(F)ccc1C(=O)N1CCC2(CC1)OCC[C@@H]2CCOCC1CC1 247854108 WYTVSRPSZSPHPY-SFHVURJKSA-N 375.484 3.962 0 40 GHAB C[C@@H]1CN(C)CC[C@H]1CCc1ccc(NC(=O)c2cnn3cccnc23)cc1 248126644 LXRSIIATOJFJAP-SJLPKXTDSA-N 377.492 3.502 0 40 GHAB COc1ccc(-c2nnc(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C43CC3)s2)cc1OC 248140656 RMZPXVGECPUAAZ-HZSPNIEDSA-N 383.473 3.763 0 40 GHAB FC(F)(F)c1cccc(N2CCN(C3CCN([C@@H]4CCSC4)CC3)CC2)c1 252510156 ZCPHFGMUUHUXBC-LJQANCHMSA-N 399.526 3.797 0 40 GHAB Cc1ccc(/C=C/S(=O)(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)cc1 252552507 UUNBTNMUVNWKNH-IURSYISVSA-N 394.496 3.997 0 40 GHAB CCc1[nH]c2c(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cccc2c1C 257263838 LRSCORRUOMGBBM-UHFFFAOYSA-N 376.865 3.811 0 40 GHAB CC(C)CC(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 257271929 NAJPYMACQCFKRK-JOCQHMNTSA-N 383.418 3.579 0 40 GHAB CC1CCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NC3CC3)n2)CC1 260707846 CFEWHBCLCONZTC-OAHLLOKOSA-N 388.585 3.541 0 40 GHAB CS(=O)(=O)N(CCCC(=O)NC1CCCCCC1)c1ccc(Cl)cc1 408681849 UOVICEZGZVJLQY-UHFFFAOYSA-N 386.945 3.725 0 40 GHAB COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C4CCCC4)C[C@H]2N(C)C3=O)c1 514290379 ZMQWJDWWNLCYLM-GGAORHGYSA-N 392.499 3.822 0 40 GHAB biogenic,in-vitro C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)C1 525164526 OTZMEYGNQIUBQF-JLTOFOAXSA-N 391.446 3.705 0 40 GHAB COCCn1cc2c(n1)[C@@H](NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 541880208 WEZVFAUEYJKPEB-IBGZPJMESA-N 381.476 3.629 0 40 GHAB Cc1cc(NC(=O)N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc(C(N)=O)c1 585090269 QVNOBNKLUSVEIM-UFYCRDLUSA-N 379.460 3.620 0 40 GHAB Cc1cc(N(Cc2cc(C3CC3)no2)S(C)(=O)=O)ccc1Br 663961436 ADYSOIZMTLERQB-UHFFFAOYSA-N 385.283 3.589 0 40 GHAB COc1cccc(C(=O)N2[C@H](c3ccccc3Cl)SC[C@H]2C(=O)O)c1 729681 FVPGLRWDDAAXCV-RDJZCZTQSA-N 377.849 3.690 0 40 GHAB COc1ccc(OCC(=O)Nc2nc3cc(Cl)c(OC)cc3s2)cc1 812115 SAGKMIMGQWMUEM-UHFFFAOYSA-N 378.837 3.984 0 40 GHAB COc1ccccc1-c1nc2ccccc2c(=O)n1NC(=O)c1cccs1 1306721 NYQFHMRFRSLCTN-UHFFFAOYSA-N 377.425 3.518 0 40 GHAB Cc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1 2291178 FVJRMOLJUXUVJF-UHFFFAOYSA-N 397.438 3.987 0 40 GHAB CCCCNC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12 2310273 SGQZUOGNOJQYIZ-UHFFFAOYSA-N 389.459 3.694 0 40 GHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 2663084 RHSYAHIPMQRGEY-UHFFFAOYSA-N 380.897 3.606 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccc(Br)cc1F 3237664 MJKAGHYKCGOOOD-LLVKDONJSA-N 396.212 3.537 0 40 GHAB Cc1cc(Nc2nc3ccccc3nc2N2CCN(C)CC2)n(-c2ccccc2)n1 3289872 MNUPJHMAWLZZRT-UHFFFAOYSA-N 399.502 3.619 0 40 GHAB CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1 3344480 PNBHFZTZVFEGCD-UHFFFAOYSA-N 390.505 3.677 0 40 GHAB CCN(C(=O)CSc1nnc(C(C)(C)C)n1N)c1cccc2ccccc12 3349125 RPSOQDIIAIAWQU-UHFFFAOYSA-N 383.521 3.588 0 40 GHAB CCCCn1c(SCC(=O)Nc2ccccc2OC)nc2ccccc2c1=O 3492782 ADSMDCWHLVUGCB-UHFFFAOYSA-N 397.500 3.936 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 3560905 IKNYBIXONRENIC-UHFFFAOYSA-N 395.305 3.834 0 40 GHAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1 4077605 MPRYPWGWGVDPFK-UHFFFAOYSA-N 386.517 3.700 0 40 GHAB O=C(CSc1nnc(NC(=O)c2ccccc2)s1)Nc1ccccc1F 4078081 FLRFXJLXFRSUIK-UHFFFAOYSA-N 388.449 3.660 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)Nc1ccc(F)cc1 4164404 FKZHQLMKIOHTDZ-UHFFFAOYSA-N 397.410 3.800 0 40 GHAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCC12CC3CC(CC(C3)C1)C2 4686595 NZXWMFJPFBYRMP-UHFFFAOYSA-N 381.442 3.723 0 40 GHAB CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccccc1F 4735884 XTQOPTBNDWFSCH-UHFFFAOYSA-N 377.470 3.600 0 40 GHAB CCOc1ccc([C@H]2SC[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)N32)cc1 4738659 KMNWCZQLLKDOAX-PKOBYXMFSA-N 384.457 3.677 0 40 GHAB COc1ccc(-c2noc(CN(C(=O)Cc3ccccc3)C(C)C)n2)cc1OC 4943590 CGWWUMRCSKDTOA-UHFFFAOYSA-N 395.459 3.734 0 40 GHAB CCCC[C@@H](OC(=O)c1cc2occc2n1C(C)C)C(=O)NC[C@H]1CCCO1 4967184 VSGVKSBOKPENNL-CRAIPNDOSA-N 390.480 3.826 0 40 GHAB Cc1cc(Oc2ccc(Cl)cc2Cl)nc(Oc2ccc(=O)n(C)n2)n1 5002245 LCRVWHBRVOXVTI-UHFFFAOYSA-N 379.203 3.770 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 5136619 WYEWEQUEGFWAFJ-UHFFFAOYSA-N 390.480 3.870 0 40 GHAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc(F)c(Cl)c3)c(C)n2n1 5278848 WPWKWJDTPBPLBZ-UHFFFAOYSA-N 393.875 3.827 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)cc1 5294808 REABQJZULIRKDY-UHFFFAOYSA-N 397.456 3.890 0 40 GHAB COc1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5438762 JIDBQVWLADZKKY-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccc1OC 5478558 JHXKYJMTWKHPNY-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB Cc1cccc(C(C)(C)C)c1NC(=O)C[C@H]1C(=O)Nc2ccccc2[S@]1=O 5811852 NGHGZADNERPURJ-SOKVYYICSA-N 384.501 3.750 0 40 GHAB O=C(CSc1nccc(=O)[nH]1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6161205 KKQHECJGRZWKHJ-UHFFFAOYSA-N 395.528 3.969 0 40 GHAB Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](CO)c4ccccc4)c(C)c3cc12 6624662 VILXOWJFFZAQOQ-LJQANCHMSA-N 391.423 3.548 0 40 GHAB biogenic COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)c(F)c3F)n2)cc1 6678827 XKEJQWUSFBXMEG-UHFFFAOYSA-N 394.378 3.628 0 40 GHAB CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(F)cc1)S2 6812140 OCQGAQPDAUMAMR-QZTJIDSGSA-N 397.479 3.768 0 40 GHAB Cc1ccc(OCc2nnc3sc(NC(=O)c4ccccc4C)nn23)cc1 6818095 DUISNFTUTLPGAY-UHFFFAOYSA-N 379.445 3.634 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccc(N3CCCCC3)cc2)cc(C(=O)OC)c1 7504543 UQJBETVXTCKJTR-UHFFFAOYSA-N 396.443 3.502 0 40 GHAB Cc1cccc(NC(=O)Cc2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1 8076390 VLCUAJSUKKDODH-UHFFFAOYSA-N 394.500 3.864 0 40 GHAB Cc1ccc(-n2c(S[C@@H](C)C(=O)N3CCOCC3)nc3ccccc32)cc1 8725339 JYPHXNNEXZTWSX-INIZCTEOSA-N 381.501 3.673 0 40 GHAB O=C(CSc1nc(C2CC2)n[nH]1)Nc1ccc(OCc2ccccc2)cc1 8924403 AYGXZLMXDBSKGL-UHFFFAOYSA-N 380.473 3.992 0 40 GHAB CCOC(=O)CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2o1 9026454 KVFGQUSWVLMJAM-UHFFFAOYSA-N 384.457 3.512 0 40 GHAB COc1ccc(CC(=O)NCCSc2ccc(Cl)cc2)c(OC)c1OC 9156288 PQHLVXFHLXUYNT-UHFFFAOYSA-N 395.908 3.817 0 40 GHAB Cc1nc(-c2ccc(N[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)cc2)cs1 9313806 MUPWSIAJAWCSOX-CYBMUJFWSA-N 392.484 3.904 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 9375978 TZGKNPWDQFVEFM-LIRRHRJNSA-N 394.500 3.867 0 40 GHAB COc1ccc2[nH]c(SCC(=O)Nc3ccccc3N3CCCC3)nc2c1 9467153 DYVLASCIMPDMKG-UHFFFAOYSA-N 382.489 3.903 0 40 GHAB O=C(N[C@H](c1ccccc1)C1CC1)N1CCC(C(=O)N2CCCCCC2)CC1 9936270 PZVVMWMBMWLNBA-OAQYLSRUSA-N 383.536 3.962 0 40 GHAB CCCCn1nnnc1CSc1nnc(-c2ccco2)n1-c1ccccc1 9945282 VPAMKQGXRKQPSM-UHFFFAOYSA-N 381.465 3.606 0 40 GHAB C=Cn1nnc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)n1 10119646 RAJABXPRQOYRJG-VQHVLOKHSA-N 376.203 3.992 0 40 GHAB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)NCCc1cccs1 10157589 FJPDQUJDPKLFMF-UHFFFAOYSA-N 379.445 3.704 0 40 GHAB O=C(CCc1nc2ccccc2[nH]1)NCCc1ccc(Br)s1 10502633 GFMLDDWUAXBUTR-UHFFFAOYSA-N 378.295 3.678 0 40 GHAB C[C@@H]1CCCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)C1 10541597 IODFXAXUKFZDPD-VFNWGFHPSA-N 384.501 3.926 0 40 GHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(OC)cc3)ccc21 10972081 BXALPLPCKVCOHE-UHFFFAOYSA-N 382.460 3.648 0 40 GHAB Cc1ccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)cc1Cl 11427764 SLEVQANBHIWZAA-ZRDIBKRKSA-N 378.881 3.567 0 40 GHAB Cc1cc(N2CCCC2)ccc1NC(=O)CSc1ncn(-c2ccccc2)n1 11941251 PTDGSBIGAIMBTI-UHFFFAOYSA-N 393.516 3.907 0 40 GHAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2cc(C)no2)cc1 12145612 VVVYOKUEKYPXSU-QGZVFWFLSA-N 380.448 3.621 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2)c2nc3c(cc12)CN(C[C@H]1CCCO1)C(=O)O3 12251546 MRVLLBAPLOJZHT-MRXNPFEDSA-N 398.850 3.876 0 40 GHAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12284678 JXHACHHWWUVFLH-ICSRJNTNSA-N 379.504 3.557 0 40 GHAB COc1ccc(C(=O)CSc2nccn(-c3ccc(C)cc3)c2=O)cc1OC 12415276 WRXRIRNASHDRTQ-UHFFFAOYSA-N 396.468 3.533 0 40 GHAB CCC(=O)N1C(=O)[C@@]2(SCC(=O)N2c2ccc(C)c(C)c2)c2ccccc21 12418278 GMRNRGTZFCKFNP-NRFANRHFSA-N 380.469 3.519 0 40 GHAB O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 12515981 SERBBBBCOVPUGP-CYBMUJFWSA-N 398.875 3.850 0 40 GHAB CN1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cn2)CC1 12613293 IGYLBYCOYBDBAJ-UHFFFAOYSA-N 386.499 3.682 0 40 GHAB CSc1ccc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1 12735779 IXXMGOXILSBCRE-UHFFFAOYSA-N 376.400 3.758 0 40 GHAB CCc1cccc(N2C[C@H](C(=O)Nc3cccc(NC(C)=O)c3C)CC2=O)c1 12927719 YHRQMVNSGGSFTD-QGZVFWFLSA-N 379.460 3.507 0 40 GHAB C[C@H](NC(=O)Cc1nnc(S)n1Cc1ccccc1)c1ccccc1Cl 12935270 MDMLKCPUIPJWRG-ZDUSSCGKSA-N 386.908 3.688 0 40 GHAB COC(=O)c1cn(CCc2c[nH]c3ccc(OC)cc23)c(=O)c2ccccc12 12952778 AQGUDLGMQRRYBQ-UHFFFAOYSA-N 376.412 3.521 0 40 GHAB COc1ccc(CN(C)CC(=O)Nc2cc(C)nn2-c2ccccc2C)cc1 12998579 JNUHBQPTCGJVGJ-UHFFFAOYSA-N 378.476 3.568 0 40 GHAB Cc1ccc(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc3nccnc23)cc1Cl 13010921 NYIOCLKJZHXPOX-CHWSQXEVSA-N 384.871 3.739 0 40 GHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 14000373 OYIPVKNMYISFPB-XLIONFOSSA-N 396.487 3.700 0 40 GHAB COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cc4ccccc4o3)n2)cc1 15674716 MEKLSVOERZKXAX-APWZRJJASA-N 391.427 3.799 0 40 GHAB biogenic,in-vitro Cc1nn(CC(C)C)c2sc(C(=O)OCc3nc(N)c4ccccc4n3)cc12 18326641 ICMJGMXRUYKHBO-UHFFFAOYSA-N 395.488 3.945 0 40 GHAB NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccncc2)C1 19333526 NNDLQSRRMIZMOX-QFIPXVFZSA-N 377.513 3.730 0 40 GHAB Cc1nc(NC(=O)CCC(=O)N[C@H](C)c2ccc3c(c2)CCCO3)sc1C 19560813 SSHAOBHVVKNXCC-CYBMUJFWSA-N 387.505 3.681 0 40 GHAB COc1cccc(CN2CCCC[C@@H]2c2cc(O)nc(-c3cccnc3)n2)c1 19565227 AYRHASJNQBFAIH-HXUWFJFHSA-N 376.460 3.980 0 40 GHAB Cc1nn(C[C@@H](C)C(=O)N2CCCC[C@H]2CCN2CCCC2)c(C)c1Cl 19578153 AFDRAOUHPXXHOV-QAPCUYQASA-N 380.964 3.656 0 40 GHAB CN1CCN(Cc2ccncc2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19589442 VFWOIDDJFAZSAK-DEOSSOPVSA-N 385.511 3.882 0 40 GHAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCCCN2CC(C)(C)C)n1 19687699 UZWZWEBQJLMDQS-IBGZPJMESA-N 395.551 3.882 0 40 GHAB Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 20108640 AWNXKEZPRCHNGA-ROUUACIJSA-N 388.533 3.644 0 40 GHAB COc1ccc(SCC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 20493359 GRBWMDCYMNFYKM-UHFFFAOYSA-N 375.490 3.900 0 40 GHAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cncc(Br)c1 22088091 FVCHMAVMARHWKM-UHFFFAOYSA-N 383.249 3.771 0 40 GHAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCN(Cc3cccs3)CC2)no1 22935358 UEEJUIAGBWHCBB-FQEVSTJZSA-N 396.516 3.542 0 40 GHAB O=C(Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)NCc1ccco1 23126770 RVKAQJFVVBENAO-UHFFFAOYSA-N 399.859 3.688 0 40 GHAB Cc1ccc(N2CCN(C[C@@H](O)Cn3c(C)c(C)c4cc(F)ccc43)CC2)cc1 28297169 GWLZEUJBGWJEAR-JOCHJYFZSA-N 395.522 3.889 0 40 GHAB Nn1c(SCc2ccccc2)nnc(Nc2ccc(Cl)c(Cl)c2)c1=O 28535706 AFXAIPYOHSFJAS-UHFFFAOYSA-N 394.287 3.695 0 40 GHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CCN(C2CC2)CC1 29095007 XSCYCNIYHAULEE-UHFFFAOYSA-N 377.847 3.799 0 40 GHAB O=C(NCc1ccc(CN2CCOCC2)cc1)C1(c2ccccc2)CCCC1 29214261 JBKFCJKGHSBGOF-UHFFFAOYSA-N 378.516 3.647 0 40 GHAB O=S1(=O)C[C@@H](N2CCCCC2)[C@@]12CC1c3ccccc3C2c2ccccc21 31716397 WIBBDCVETMOSAZ-LPIJFZEYSA-N 379.525 3.689 0 40 GHAB CC(C)=CC(=O)NCCNC(=O)c1cn(Cc2ccccc2)c2ccccc12 32100624 QBNKXVCNVCLNRT-UHFFFAOYSA-N 375.472 3.502 0 40 GHAB CC(C)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 32721145 DJWRZRXERKRXNU-UHFFFAOYSA-N 388.489 3.552 0 40 GHAB O=C(CCN1C(=O)CCC1=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 32747857 UUMJWMJQZLGYDL-UHFFFAOYSA-N 380.488 3.632 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2cc(-c3ccco3)on2)CC1 32888433 GIRYOMLEYZKBLV-UHFFFAOYSA-N 394.427 3.801 0 40 GHAB O=C(NCC(F)(F)F)c1ccccc1C(=O)c1ccc(Br)cc1 32905374 ZTTVCKSWWXTKGD-UHFFFAOYSA-N 386.167 3.972 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3c(C)noc3C)c3cnn(C)c3n2)cc1 36613360 UMXCHRRQLQRMQI-UHFFFAOYSA-N 377.404 3.501 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@H](c1ccco1)N1CCCCC1 40012783 PBEUSCMRGDUZLR-FQEVSTJZSA-N 386.540 3.635 0 40 GHAB Cc1occc(=O)c1OCC(=O)NCCC(c1ccccc1)c1ccccc1 40286934 SQRGOMHSPFVGNL-UHFFFAOYSA-N 377.440 3.665 0 40 GHAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(Cc2cccnc2)CC1 43008129 IHQBJSHBHIDYKT-AWEZNQCLSA-N 394.302 3.500 0 40 GHAB Cc1cccc(Nc2ccccc2C(=O)N2CCC(C(=O)N(C)C)CC2)c1C 43704583 RPEZHURXBCKNAM-UHFFFAOYSA-N 379.504 3.987 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1NS(C)(=O)=O 44324598 GWEMUHRHQYHYIW-UHFFFAOYSA-N 395.484 3.605 0 40 GHAB COc1ccc(Nc2ccccc2C(=O)N[C@H]2CCCc3c2cnn3C)cc1 47088800 RHAGOUNLTPBZHO-FQEVSTJZSA-N 376.460 3.980 0 40 GHAB CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 47407258 DQAZQZHGQMCRMS-CQSZACIVSA-N 385.851 3.543 0 40 GHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1 47589476 HPUVLOYKCNEXID-UGSOOPFHSA-N 393.915 3.949 0 40 GHAB O=C([C@@H]1COc2ccccc2O1)N1CCC(Oc2nc3ccccc3s2)CC1 49028616 ZWWQZUACSYMMFP-SFHVURJKSA-N 396.468 3.506 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 52411149 DGWZQXDNRXLMJC-UHFFFAOYSA-N 390.530 3.835 0 40 GHAB O=C(NCc1ccccc1N1CCCC1)[C@H]1CC(c2ccc(Cl)s2)=NO1 57250185 SYNLHVNKOGQASN-MRXNPFEDSA-N 389.908 3.811 0 40 GHAB Cc1cccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc3c(c2)CCC3)c1C 57501809 IKJSUVPGRRNKFZ-UHFFFAOYSA-N 392.499 3.852 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(-c2cccc(F)c2)n1 57508265 SLMGLGOGQORUPL-UHFFFAOYSA-N 379.435 3.867 0 40 GHAB Cc1nc([C@@H](NC(=O)c2ccc(F)cc2Br)c2ccccc2)n[nH]1 57797545 LNNMSSJVDOZONA-HNNXBMFYSA-N 389.228 3.534 0 40 GHAB O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1ccc(OC(F)F)cc1 57911293 SSMZCDHFYVWBEF-UHFFFAOYSA-N 395.837 3.702 0 40 GHAB CC1(C)CC[C@H](NC(=O)CCc2nc(-c3cccnc3)no2)c2ccccc21 58193469 OKUPHFBWFCGGIF-SFHVURJKSA-N 376.460 3.993 0 40 GHAB CNC(=O)c1ccc(OCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 58377867 UCEQGIXDMIIQNS-UHFFFAOYSA-N 378.215 3.982 0 40 GHAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 62022733 MPCPXQJATLWMOG-GOSISDBHSA-N 398.470 3.671 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(Cl)ccc3OC)ccc21 64946801 GFHXHFZJMAAGQJ-UHFFFAOYSA-N 398.893 3.546 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 67590530 NADNANYQNPKCKQ-IERDGZPVSA-N 378.476 3.516 0 40 GHAB NCc1ccc([C@@H](C(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)cc1 71791531 LJQDBLIKMVAQFE-QFIPXVFZSA-N 387.435 3.669 0 40 GHAB CCCCCC[C@H](C)N(C(=O)[C@@H]1COCCO1)c1ccccc1C(=O)OC 72300857 AIYODMVIAQDONZ-LPHOPBHVSA-N 377.481 3.581 0 40 GHAB Cc1cc(-c2cc(=O)n(CC(=O)NC3CCCCCCC3)nc2C(C)C)on1 72340993 GSEUGCGXMSSOEJ-UHFFFAOYSA-N 386.496 3.559 0 40 GHAB C[C@@H]1Sc2ccccc2N(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@H]1C 79025784 KNCPXYRSQKPDQY-GJZGRUSLSA-N 395.528 3.907 0 40 GHAB COCCN(C)CCCC1CCN(C(=O)Cc2csc(C(C)(C)C)n2)CC1 95452160 QDXBLUILPNUEMN-UHFFFAOYSA-N 395.613 3.580 0 40 GHAB C[C@H](O)C(=O)O[C@@](CCN1CCCCC1)(c1ccccc1)[C@@H]1C[C@H]2C=C[C@@H]1C2 95871148 ATZOURLUNRGDHW-CCWIQGQESA-N 383.532 3.894 0 40 GHAB COc1ccc(-c2csc3ncnc(NCCc4nnc5n4CCC5)c23)cc1 95948699 CNIQYDXRJSIURJ-UHFFFAOYSA-N 392.488 3.559 0 40 GHAB CCS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1ccc(Cl)cc1Cl 96519899 QUHNAZVAPDPPOJ-NXEZZACHSA-N 396.517 3.749 0 40 GHAB CC(=O)C(Sc1nn(CCOc2ccc(C)cc2)c(=S)s1)C(C)=O 100137019 OOOXNWYLKWTMIS-UHFFFAOYSA-N 382.532 3.700 0 40 GHAB Cc1ccc(-c2cnn3c(O)cc([C@@H](C)n4ncc5ccccc5c4=O)nc23)cc1 100223680 IDRZDCOUOOAFDD-OAHLLOKOSA-N 397.438 3.730 0 40 GHAB Cc1cc(C)c(CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c(C)c1 101171759 JUWYYFHKXWWBCN-ZWKOTPCHSA-N 382.851 3.759 0 40 GHAB CSc1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3nc(N)[nH]c(=O)c32)cc1 102679657 IZQYVOJOYIQHLL-AWEZNQCLSA-N 388.452 3.623 0 40 GHAB CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1cccc(Cl)c1Cl 145758336 FLVSOOLGFLBXBH-UHFFFAOYSA-N 393.336 3.598 0 40 GHAB Cc1ccc(/C=[N+]2\N=C(O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 205828935 KEXUBAAEDQNOSR-NQQNOTTHSA-O 384.459 3.851 0 40 GHAB CCSc1ccccc1NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 220318380 MJHKBJZPXPMGMJ-ZDUSSCGKSA-N 396.509 3.731 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 222457793 ZFDUZPCDKCUYHE-OAQYLSRUSA-N 382.504 3.706 0 40 GHAB CN(c1ccc(Cl)c(C(=O)N[C@@H]2CCCc3ccccc32)c1)S(C)(=O)=O 222503079 DRJOZXDONUPKTE-GOSISDBHSA-N 392.908 3.543 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)Cc1ccccc1 222562716 CLBBJGXXYKJKPH-KNQAVFIVSA-N 380.532 3.994 0 40 GHAB CCCCc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 223329153 XYHKHBDEZYPCCB-UHFFFAOYSA-N 380.853 3.918 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1F 225183406 PRYDJKZHVNWUIP-UHFFFAOYSA-N 380.466 3.892 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2C)c(C)c1 225384873 DRUXPZZETJOIBZ-UHFFFAOYSA-N 377.462 3.598 0 40 GHAB CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1 225722907 VNNMWZBKUIKYFO-GOSISDBHSA-N 392.546 3.927 0 40 GHAB COc1ccc(CCNC(=O)c2snnc2-c2ccc(C)cc2)cc1OC 225773209 VBOZDOYWKXXDFD-UHFFFAOYSA-N 383.473 3.503 0 40 GHAB COc1ccccc1Cc1cc(C(=O)N2CCC[C@]3(C)NCCCC[C@H]23)ccn1 257253923 KAWJAFQJFBGTEF-UPVQGACJSA-N 393.531 3.818 0 40 GHAB CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C 299888323 FPABVZYYTCHNMK-DOBJXPPUSA-N 396.568 3.910 0 40 GHAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1C 408610789 VXDIUXMPBNTXPO-UHFFFAOYSA-N 387.288 3.852 0 40 GHAB Cc1ccc(COc2ccc(/C=C\C(N)=O)cc2I)cc1 409416214 HQCDZVAWIGZDNF-CLFYSBASSA-N 393.224 3.677 0 40 GHAB COc1ccc2onc(CC(=O)N[C@H]3c4ccccc4CC34CCOCC4)c2c1 515002392 HQJGHRGDTPESAT-QFIPXVFZSA-N 392.455 3.589 0 40 GHAB O=C(O)C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(F)F 521394234 HLWYGQIIVSTAGK-LBPRGKRZSA-N 375.371 3.881 0 40 GHAB C[C@@H](N[C@H](c1ccccc1)c1cccc(F)c1)c1cccc(S(N)(=O)=O)c1 540315659 ITXVVIZPYXZZLJ-QVKFZJNVSA-N 384.476 3.913 0 40 GHAB COC(=O)c1ccc2nc(NC(=O)[C@H](CCSC)n3cccc3)sc2c1 575443140 IUYJUGNRNLUADE-AWEZNQCLSA-N 389.502 3.817 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncc(Br)cn3)C2)cc1C 575612266 KMWAVSFKDWFSEM-MRXNPFEDSA-N 390.281 3.540 0 40 GHAB Cn1ncc(C2CC2)c1CNC(=O)NCc1nc(-c2ccccc2F)cs1 585094459 ICTBXNNXEBPQRO-UHFFFAOYSA-N 385.468 3.560 0 40 GHAB O=C(CCc1ccccc1Br)N1CC[C@H](Oc2nccs2)C1 585320064 HBMKKUBAMANTIX-ZDUSSCGKSA-N 381.295 3.518 0 40 GHAB CCCc1c(NC(=O)N2CC[C@@H](C(=O)O)[C@@H](C)C2)cnn1-c1cccc(C)c1 630569484 YSYHRBKWESLGEW-DOTOQJQBSA-N 384.480 3.708 0 40 GHAB COc1ccc(NC(=O)C2(C(=O)O)CC=CC2)cc1NC(=O)C1CCCCC1 663074165 KAAFASCPIGHMQQ-UHFFFAOYSA-N 386.448 3.574 0 40 GHAB C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cnc2c(c1)COCC2 665803914 ICUPKTLPDNHPQC-LBPRGKRZSA-N 380.366 3.870 0 40 GHAB COc1ccccc1CN1CC[C@H]2CC(=O)Nc3ccccc3OCC[C@H]2C1 1534646450 LYBACIHIVNEHDG-ROUUACIJSA-N 380.488 3.945 0 40 GHAB COc1ccc(NC(=O)C(=O)NCCc2ccc(-c3cccs3)s2)cc1 1889237075 MRVOYYNEYMCIHP-UHFFFAOYSA-N 386.498 3.783 0 40 GHAB O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1ccccc1C(=O)c1ccccc1 78994345 PDXCPJTXFOSGQG-GOSISDBHSA-N 391.442 3.638 0 40 GHAB O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)C1=Cc2ccccc2OC1 79049182 PQEJMJHLGWQMCO-IBGZPJMESA-N 379.847 3.718 0 40 GHAB CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N1CCCCC1 4167509 YUOTYNSCFHMBMN-UHFFFAOYSA-N 393.944 3.668 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)c1cccc(OC[C@@H]2CCCO2)c1 22610497 SBQBEQBCVRTZSU-QHCPKHFHSA-N 394.515 3.770 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1 6604220 NVBZYZMQHLPEPT-UHFFFAOYSA-N 378.222 3.562 0 40 GHAB Cc1cc(C)cc(OCC(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)c1 6825698 ZKLURVKPFUUUEX-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB CC(=O)Nc1ccc(CC(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)cc1 7513013 UKNNNRZKVVDVPI-UHFFFAOYSA-N 379.412 3.654 0 40 GHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1OC[C@H]1CCCO1 22870983 BSHFXUMRZZWSMC-IFMALSPDSA-N 394.515 3.811 0 40 GHAB COc1cccc(-c2nc(Cn3nnc(-c4cccc(F)c4)n3)cs2)c1OC 23105608 HIPMYAXWXFTRBD-UHFFFAOYSA-N 397.435 3.668 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 12574422 WTCRSJCYZRUCLU-MRXNPFEDSA-N 388.240 3.841 0 40 GHAB O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 1012091 NQAQXVLQZRVEPR-DYTRJAOYSA-N 386.451 3.805 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@@H](c1ccco1)N1CCCC1 12594190 QNYIGENILQGOFV-NRFANRHFSA-N 392.503 3.578 0 40 GHAB COc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccccc2)cc1OC 9974003 FMFVKAFGECENIM-UHFFFAOYSA-N 394.427 3.573 0 40 GHAB CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)c4ccccc4)c(=O)c23)C1 1331860 KVIGNOKGNRUKFR-AWEZNQCLSA-N 381.501 3.887 0 40 GHAB CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C1=C[C@H]2CC[C@H](C1)N2C 100047617 LZYMPGNBBKVSQZ-IAGOWNOFSA-N 388.508 3.705 0 40 GHAB COC[C@H](C)NC(=O)CSc1nc(C)nc2sc(-c3ccccc3)cc12 3269930 YULDUMYZHDGWMX-LBPRGKRZSA-N 387.530 3.910 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OCC 3240548 UWNIBURFDCMRGH-YQQAZPJKSA-N 377.481 3.582 0 40 GHAB NC1=Nc2nc3ccccc3n2[C@H](c2nc3ccccc3n2Cc2ccccc2)N1 1408254 DSJWAMVQQGWOMA-OAQYLSRUSA-N 393.454 3.531 0 40 GHAB CCN(C(=O)NC1(C(F)(F)F)Oc2ccccc2O1)c1ccccc1OC 1470960 MSDITOKCOZHLIN-UHFFFAOYSA-N 382.338 3.919 0 40 GHAB COc1ccc(C)cc1CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 100750278 JASBZPIQGMDCNE-IEGUWTFLSA-N 381.520 3.564 0 40 GHAB CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc2c(c1)OCO2)CO3 57322423 AUUCIGGABZUXFR-UHFFFAOYSA-N 379.412 3.745 0 40 GHAB CCOc1ccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 113968589 XJUQFFGYRYOXFB-UHFFFAOYSA-N 390.505 3.579 0 40 GHAB C[C@H](NC(=O)c1ccccc1F)c1cc(O)n2nc(-c3cccs3)cc2n1 100769302 MXTNKILYKKMQCV-NSHDSACASA-N 382.420 3.794 0 40 GHAB CC(C)[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)O 20735617 HTRZKLNCJXBQQG-AWEZNQCLSA-N 387.288 3.885 0 40 GHAB Cc1cc(NCc2ccc(C(=O)N(C)C(C)C)cc2)nc(-c2ccncc2)n1 58192329 BYUGNZKOLFELRH-UHFFFAOYSA-N 375.476 3.940 0 40 GHAB O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@@H]1c1nc2ccccc2s1 10275694 JIWQWOLOYYHJSE-MRXNPFEDSA-N 393.468 3.958 0 40 GHAB O=C(CCc1ccc2c(c1)OCCO2)NCCSc1ccc(Cl)cc1 10759636 CIZKAAMTAMXJJV-UHFFFAOYSA-N 377.893 3.952 0 40 GHAB COc1ccc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)c(C)c1 2110057 ARCOCPBTEZQQOK-UHFFFAOYSA-N 393.443 3.544 0 40 GHAB biogenic COc1cc(/C=C/C(=O)OCC(=O)c2ccc(Cl)s2)cc(OC)c1OC 3300513 NLRVFRHGMGVALQ-QPJJXVBHSA-N 396.848 3.867 0 40 GHAB C[C@H](Oc1ccccc1Br)C(=O)NC1CC(C)(C)NC(C)(C)C1 27974884 IGEUFKDJQDDACR-LBPRGKRZSA-N 383.330 3.642 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1 11218296 GNWZQKSILSVJKH-UHFFFAOYSA-N 376.432 3.928 0 40 GHAB CC(C)[C@H](NC(=O)CN(C)Cc1ccc2c(c1)OCCO2)c1ccc(F)cc1 11231738 YFWRKNXLILXFFC-QFIPXVFZSA-N 386.467 3.542 0 40 GHAB COc1cccc(-c2c(Nc3ccccc3C)oc3c2c(=O)n(C)c(=O)n3C)c1 11614574 VYQJWHVIEIXRMV-UHFFFAOYSA-N 391.427 3.558 0 40 GHAB CCCc1n[nH]c(SCC(=O)Nc2cc(C)nn2-c2cc(C)ccc2C)n1 11808645 QHKVJSWKTXWDTR-UHFFFAOYSA-N 384.509 3.599 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(OCc2ccccc2)c1 28910288 XFKSFLRQOXOUJX-HXUWFJFHSA-N 375.424 3.835 0 40 GHAB COc1ccc(-n2c(S[C@@H]3CCOC3=O)nnc2-c2cccc(C)c2)cc1 2651120 BXTYJQPYPQKWRL-QGZVFWFLSA-N 381.457 3.659 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12878703 SJUNMYMWQSXZOV-INIZCTEOSA-N 386.879 3.905 0 40 GHAB CSCc1c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)oc2ccccc12 12876564 LQPHFBUJYLPNIB-UHFFFAOYSA-N 394.496 3.894 0 40 GHAB CS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccc(C3CCCCC3)cc2)c1 12855651 NVGBVCCWJRSIOE-UHFFFAOYSA-N 394.514 3.906 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2ccc(C)cc2)cc1Cl 409411210 UUUUBPYARCTIGM-UHFFFAOYSA-N 385.938 3.869 0 40 GHAB COc1ccc(C)cc1-c1csc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)n1 12902755 MIVTXEFHOIVXJA-GOSISDBHSA-N 394.452 3.847 0 40 GHAB Cc1cccn2c(CN3CCC[C@H](CNC(=O)Nc4cccc(F)c4)C3)cnc12 92709002 BSRROKBRYAARFA-QGZVFWFLSA-N 395.482 3.816 0 40 GHAB O=C(NCc1cccc(Cl)c1)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 8992328 IRXSPLXZHXFCDA-KRWDZBQOSA-N 395.890 3.990 0 40 GHAB C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(C(F)(F)F)c1 6083317 ZIXFOPWYCWJZCD-NSHDSACASA-N 395.333 3.661 0 40 GHAB Cc1ccc(C(=O)Oc2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)c2)cc1 13846257 RSBMNXGVFRMWSQ-NFQUHZNNSA-N 375.424 3.750 0 40 GHAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(N2C(=O)CCC2=O)c1 6251201 MUJHZHVBMFUBFM-UHFFFAOYSA-N 385.832 3.855 0 40 GHAB CNC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1 14085314 WXKZHMVKZBBVSF-UHFFFAOYSA-N 385.420 3.571 0 40 GHAB COCCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2C1=O 4524274 SGOFZIQWELZGCF-UHFFFAOYSA-N 386.835 3.533 0 40 GHAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4cccc(F)c4)c3C)ns2)cc1 6914454 RXBVYVNMSHBCEA-UHFFFAOYSA-N 394.435 3.794 0 40 GHAB O=C(COc1ccccc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 15356660 OKTVFXXWKHQLCG-UHFFFAOYSA-N 383.835 3.960 0 40 GHAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccco3)N3CCCC3)cc(=O)c2c1 15859916 GYIUASFEYSZDMS-QGZVFWFLSA-N 380.444 3.570 0 40 GHAB COc1ccc2nc(NC(=O)[C@@H](NC(=O)c3cccs3)C(C)C)sc2c1 9313781 LLUROTLKFLOHEO-HNNXBMFYSA-N 389.502 3.760 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c2ccccc12 16780729 DMZZBAHKBKCXDM-UHFFFAOYSA-N 384.457 3.998 0 40 GHAB CCC[C@@H](c1nnnn1C1CCCCC1)N1CCN(Cc2ccccc2)CC1 20121553 MHTPBZXCGKUIDJ-NRFANRHFSA-N 382.556 3.837 0 40 GHAB Cc1ccc(C(=O)CCC(=O)OCC(=O)NCc2ccccc2Cl)s1 8408767 GHRLSLXMRFKJLR-UHFFFAOYSA-N 379.865 3.532 0 40 GHAB COc1ccc(CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1OC 17298805 DGCKBNJDRYHZEP-UHFFFAOYSA-N 387.439 3.973 0 40 GHAB C[C@@](O)(CNS(=O)(=O)Cc1ccccc1)C(c1ccccc1)c1ccccc1 95459881 FKWIWPYWQCRWTE-HSZRJFAPSA-N 395.524 3.689 0 40 GHAB COCc1nc(N[C@H](C)Cn2cncn2)c2c(-c3ccccc3)csc2n1 95957749 SKVDNVYCYSHHPC-CYBMUJFWSA-N 380.477 3.597 0 40 GHAB O=C(c1cccc2nccn12)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 95993282 DTUOIAZCIDFWMZ-MRXNPFEDSA-N 378.480 3.520 0 40 GHAB O=C(C1CCCC1)N1CCCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 95948951 JZERKKMGQNKTAW-UHFFFAOYSA-N 392.425 3.878 0 40 GHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)CCCc2c[nH]c3ccccc23)c1 9903620 MIWVCNAPLICZET-UHFFFAOYSA-N 390.487 3.828 0 40 GHAB CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OC 409230107 BOHGEDROTVOEBN-GXDHUFHOSA-N 385.869 3.820 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 56945252 QFYVOGCTXLSWBA-OAQYLSRUSA-N 393.462 3.712 0 40 GHAB Cc1cccc(C)c1-n1c(S[C@H]2CCCCNC2=O)nc2ccccc2c1=O 22201971 HXTICVBAWCDJLH-SFHVURJKSA-N 393.512 3.763 0 40 GHAB Cc1ccc(OS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2c1[C@@H](C)CC2=O 22134322 DNABBZBTCWTWFV-AWEZNQCLSA-N 399.468 3.579 0 40 GHAB COc1ccc(/C=C/C(=O)NCc2ccc(OC(C)C)cc2)c(OC)c1OC 22508800 DSTAFAXYRJNZTJ-UKTHLTGXSA-N 385.460 3.829 0 40 GHAB Cc1cn2cc(CC(=O)N[C@@H](CCO)c3cc(Cl)cc(Cl)c3)nc2s1 1557821441 KTERKIVJUCNZKQ-HNNXBMFYSA-N 398.315 3.793 0 40 GHAB O=C(NCCN1C(=O)Cc2ccccc21)N1Cc2ccccc2-c2ccccc2C1 522358537 ZSNKFNUEVZEMEA-UHFFFAOYSA-N 397.478 3.968 0 40 GHAB CC(=O)N1CC2=C(C1=O)[C@@H](c1cc(F)c(F)c(F)c1)c1c[nH]c3cccc(c13)N2 1547138438 APZBZIDWKCUTLH-KRWDZBQOSA-N 397.356 3.785 0 40 GHAB biogenic C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3ccccc3F)CC2)C1 39758945 TXOLEWNETAYYBC-KDURUIRLSA-N 389.559 3.522 0 40 GHAB COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3C(C)C)n2)c1 219300200 PRPXEPGOKQFOFC-HNNXBMFYSA-N 395.459 3.952 0 40 GHAB O=C(c1ccccn1)N1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 72362246 YLFHDBNIFDDGCK-UHFFFAOYSA-N 378.407 3.823 0 40 GHAB Cc1cc(C)c(NC(=O)CSc2nccnc2N2CCSCC2)c(C)c1 48987191 OIYFWIJFQSCWTJ-UHFFFAOYSA-N 388.562 3.686 0 40 GHAB O=C(COc1cccc2c1CCCC2)NCc1cccc(CN2CCCC2)c1 224637430 SJCYDEOFNREWBQ-UHFFFAOYSA-N 378.516 3.856 0 40 GHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)S1 222628853 LHPOKNCOWZPSLN-YSGRDPCXSA-N 375.501 3.916 0 40 GHAB CC[C@H](NC(=S)Nc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 225722779 KQJXAKNRCKSODY-KRWDZBQOSA-N 378.519 3.536 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225108575 VNYQMXQIJDWGNJ-KRWDZBQOSA-N 386.473 3.888 0 40 GHAB Cc1ccc(-n2c(C)nc3nc(N4CCC(C)CC4)[nH]c(=O)c3c2=S)cc1 40386873 SJDGFGFBNQOEBX-UHFFFAOYSA-N 381.505 3.691 0 40 GHAB COc1ccc(-c2nnc(NC(=O)CCc3ccc(OC)c(OC)c3)s2)cc1 225602601 SJCYPBVNDSKTRJ-UHFFFAOYSA-N 399.472 3.802 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1N(C)S(C)(=O)=O 222455656 HWRUOLAGFTZOBE-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB Cc1cccc(CN(C(=O)COc2cc(C)ccc2C)[C@@H](C)C(=O)NC(C)C)c1 225510064 GOVZLTYENCEQJD-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB CC(C)c1ccc(S(=O)(=O)N2CC[C@@]3(CCCN(c4ccccn4)C3)C2)cc1 96216783 OCYRTJAJEFPQLH-JOCHJYFZSA-N 399.560 3.886 0 40 GHAB CCOC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242688600 VUMLLWYHCNZSSR-XUVXKRRUSA-N 393.936 3.570 0 40 GHAB COc1cccc(CC(=O)N2CCC3(CC2)C[C@H](N(C)c2ccccc2)CO3)c1 257319978 VUVJCFKYAAMBMD-NRFANRHFSA-N 394.515 3.524 0 40 GHAB O=C(COc1ccccc1Cl)N1CCCC[C@@H]1c1nnc(-c2ccccn2)o1 257260296 LCFJYSUAOXTBCX-MRXNPFEDSA-N 398.850 3.918 0 40 GHAB CN(Cc1ccc(OCc2ccccn2)cc1)C[C@@H](O)COc1ccccc1 257321467 WBUQLRQZRBLCBL-OAQYLSRUSA-N 378.472 3.532 0 40 GHAB O=C(Cn1cccn1)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257263460 LPZXSKDGFCZCCO-GOSISDBHSA-N 384.867 3.869 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCCCc2ccccc2)[C@@H]1c1ccccc1OC 257309598 UBNQSNHZKHRFLG-OFNKIYASSA-N 394.515 3.744 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCC[C@@H](C)C2)n1 260733078 DYUCBIHHMZPVOQ-IYBDPMFKSA-N 390.601 3.644 0 40 GHAB Cc1ccc(S(=O)(=O)NCc2ccc([C@@H](O)c3cccs3)s2)cc1C 90613677 GQLPOHCFMNJPGX-SFHVURJKSA-N 393.555 3.987 0 40 GHAB CCOC(=O)c1cnn2ccc(NC(=O)c3ccccc3Br)cc12 90607191 LMNVMKDEQLWSKZ-UHFFFAOYSA-N 388.221 3.526 0 40 GHAB Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1C[C@@H](C)[C@H](CN)C1 632897848 NKIQOGMYKITAQN-HZPDHXFCSA-N 381.480 3.698 0 40 GHAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cs1 673439525 DFGQJYABPACIKC-ZDUSSCGKSA-N 378.519 3.729 0 40 GHAB COc1ccc([C@@H](CNC(=O)[C@H]2CCCCN2C)c2c[nH]c3ccccc23)cc1 599294020 UVPCFQDBRMODGL-NFBKMPQASA-N 391.515 3.909 0 40 GHAB O=C(NCCc1cnc(C2CC2)nc1)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 606444532 QGEJEGCDVYZNBA-ACRUOGEOSA-N 392.503 3.601 0 40 GHAB Cc1ccc([C@H](CNC(=O)Nc2cccc(C(F)(F)F)c2)OCCO)cc1 96338433 JODBKMMQEDFQNY-KRWDZBQOSA-N 382.382 3.886 0 40 GHAB COc1ccc2nc(O)c(CNC(=O)c3c(C)n(C)c4ccccc34)cc2c1 585294379 DLFGLBDEVSCHBP-UHFFFAOYSA-N 375.428 3.679 0 40 GHAB CC(C)c1c(NC(=O)NCc2c(C3CC3)cnn2C)cnn1-c1ccccc1 585101356 AJSVDCVOFTZFDJ-UHFFFAOYSA-N 378.480 3.928 0 40 GHAB O=C(CCc1ccccc1Br)NCc1nccnc1-c1cccnc1 827820867 HTASHXDRJVEYAJ-UHFFFAOYSA-N 397.276 3.550 0 40 GHAB O=C(NC1=NCCS1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 46115348 JOPRIBGEZGUHCP-UHFFFAOYSA-N 380.395 3.601 0 40 GHAB CCN(CC)c1ccc(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 939550 RMFMRZWYKZFVIP-FQEVSTJZSA-N 393.487 3.792 0 40 GHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2cnn3cccnc23)N1c1ccc(F)cc1 1615159623 PDNPNQOGNIVWIS-OALUTQOASA-N 393.466 3.531 0 40 GHAB Cc1nc(CN2CCC3(CC2)CN(S(=O)(=O)CC(C)C)C(C)(C)C3)cs1 1615191278 OAJZUNHXCYPVER-UHFFFAOYSA-N 399.626 3.504 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)n[nH]2)cc1 5865864 YBRJATLSUTXCOZ-CYBMUJFWSA-N 395.488 3.858 0 40 GHAB Cc1cccc2cc3c(nc12)O[C@@H](C)C(=O)N(Cc1ccc2c(c1)OCO2)C3 12115618 UZIHISBNQABPHG-AWEZNQCLSA-N 376.412 3.582 0 40 GHAB CCCc1nc2cc(NC(=O)c3cc4c([nH]c3=O)CCCCC4)ccc2n1C 12116912 NZYDYKGQOOTUCT-UHFFFAOYSA-N 378.476 3.735 0 40 GHAB COc1cccc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)c1OC 12330007 NOQYBMZYUQJEHB-UHFFFAOYSA-N 380.448 3.528 0 40 GHAB O=C(NC1CC1)[C@@H](Nc1ccc(I)cc1)c1ccccc1 12555620 QWHIWOXFQUOYDN-INIZCTEOSA-N 392.240 3.723 0 40 GHAB Cc1cccc(CNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1 13015691 BYVRSDGBKNLZNH-UHFFFAOYSA-N 384.435 3.721 0 40 GHAB Fc1ccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(Cc3ccccc3)no2)cc1 15675672 CWEBHIBVAPMEJR-FQEVSTJZSA-N 389.434 3.822 0 40 GHAB biogenic,in-vitro COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)C(C)(C)C)c1 19082171 GZUMGAVMNBMUOM-UHFFFAOYSA-N 378.476 3.783 0 40 GHAB CC(C)C(=O)N1CCC(O)(Cn2ncc3cc(Nc4ccccc4)ccc32)CC1 19085190 RYWBKWNDWSDPJU-UHFFFAOYSA-N 392.503 3.789 0 40 GHAB Cc1nn([C@H](C)CC(=O)N2CCCC[C@@H]2CCN2CCCC2)c(C)c1Cl 19577536 NYXOOTGPQFKGLB-CRAIPNDOSA-N 380.964 3.971 0 40 GHAB Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CC=CCC2)[nH]c(=O)c1Cc1ccccc1 19579180 JXTWTRFSKZJMIR-UYAOXDASSA-N 377.488 3.689 0 40 GHAB COCCOc1ccc(C(=O)N2CC[C@@H](c3cc4ccccc4cn3)C2)cc1 19593645 TZXCKXRJWYJPLU-HXUWFJFHSA-N 376.456 3.890 0 40 GHAB CC(=O)N[C@H]1CCO[C@@H](c2cccc(NC(=O)c3cccc4ncccc34)c2)C1 19712250 YJJXVLXOTCCZIS-PGRDOPGGSA-N 389.455 3.843 0 40 GHAB Cc1ccccc1C1=NO[C@@H](C[C@]2(C(=O)O)CCCN(C(=O)CC(C)C)C2)C1 19236931 ZRLSDNXYNNASJW-VGOFRKELSA-N 386.492 3.618 0 40 GHAB Cc1ccc(-c2cc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)on2)cc1 9482198 WWMFYFJXLPRJGR-SFHVURJKSA-N 375.428 3.637 0 40 GHAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cc2ccccc2oc1=O 3219575 JMOFDXVKTUABIE-UHFFFAOYSA-N 379.412 3.713 0 40 GHAB Cc1ccc(Nc2nc(COC(=O)c3n[nH]c(=O)c4ccccc34)cs2)cc1 5182055 XFCHLCDFKMWSMD-UHFFFAOYSA-N 392.440 3.789 0 40 GHAB Cc1c(Cl)cccc1C(=O)N1CCc2ncnc(-c3ccncc3)c2CC1 1565553441 YYJHDNDHIWWGRQ-UHFFFAOYSA-N 378.863 3.741 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc2c(c1)OCO2 4305101 KZIPMYJNLDTQOY-GOSISDBHSA-N 376.412 3.542 0 40 GHAB COc1ccc(N2C[C@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2=O)cc1 4479602 YQIZFMBDBPMJQN-CQSZACIVSA-N 393.365 3.641 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1ccc(F)cc1 5108298 CSQASCUAZBSMSF-UHFFFAOYSA-N 394.468 3.918 0 40 GHAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc3c2N1CC3 5153597 JFEGBMWSTVVMNH-UHFFFAOYSA-N 397.283 3.630 0 40 GHAB COCCNc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccccc1 8469276 CSFYAJKOHJRVPY-UHFFFAOYSA-N 392.864 3.886 0 40 GHAB Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)CC(C)(C)C)CC3)n2)cc1 9573233 XVGIPVPCRHMSRR-UHFFFAOYSA-N 381.524 3.922 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(O)c(OCc2ccc(F)cc2)cn1 12168743 OWCOCULFEJPVJP-UHFFFAOYSA-N 396.374 3.529 0 40 GHAB COc1ccccc1C1(CNC(=O)CSc2ccc(F)cc2)CCOCC1 49411620 JNODYPQBORDCGF-UHFFFAOYSA-N 389.492 3.791 0 40 GHAB COc1cccc([C@H](CNC(=O)Cc2c(C)[nH]c3ccc(F)cc23)N(C)C)c1 40070122 DPUYVVRINVUABY-NRFANRHFSA-N 383.467 3.586 0 40 GHAB Cn1ccnc1Sc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 40074186 HNEKLTQDSRUNMG-OAHLLOKOSA-N 392.484 3.563 0 40 GHAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1ccccc12 100029719 VNXMJCADEAYNID-UWVAXJGDSA-N 386.448 3.549 0 40 GHAB CCOc1ccc(CCN2CN(Cc3ccccc3)CNC2=S)cc1OCC 20384738 ARRNFGPEZCWVQE-UHFFFAOYSA-N 399.560 3.634 0 40 GHAB COc1ccc(C)cc1Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 32603951 DMEVNMUQKDUUJG-UHFFFAOYSA-N 392.463 3.512 0 40 GHAB CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 32776241 JUXSSORNESBIIN-INIZCTEOSA-N 384.476 3.572 0 40 GHAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc2c(c1)OCO2 32889225 NMZVHFGJLMRBCO-ZDUSSCGKSA-N 378.384 3.752 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(Cc2ccco2)CC1 32851062 IEZGYEIBMOHZGI-CYBMUJFWSA-N 382.291 3.731 0 40 GHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(S(=O)(=O)N2CCCC2)o1 32824510 LMJWKMSFLKORAF-UHFFFAOYSA-N 389.260 3.623 0 40 GHAB COc1ccc(OCCOC(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cc1 32936225 GVFKVSVFOKHKSM-HDICACEKSA-N 399.487 3.540 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCc1ccc(-c2ccn[nH]2)cc1 32933048 RXVILXNSBONWSV-UHFFFAOYSA-N 399.376 3.762 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 791945 BQUHNPPZIAYUBD-HNNXBMFYSA-N 392.908 3.688 0 40 GHAB COc1ccc(-n2nc3cc(C)c(NS(=O)(=O)c4ccccc4)cc3n2)cc1 887719 BSHBYNUBOSPGID-UHFFFAOYSA-N 394.456 3.538 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)c3ccncc3)cc2c1 1359338 VSMVMKVLHASCQV-UHFFFAOYSA-N 398.466 3.723 0 40 GHAB O=C(COc1ccccc1)NCCc1nc2ccccc2n1Cc1ccccc1 646673 MNNZLWWMAYKGPC-UHFFFAOYSA-N 385.467 3.822 0 40 GHAB Cc1cc2nnc(SCc3cc(=O)n4ccsc4n3)n2c2ccccc12 3495890 FAKQPBVHGRBOQE-UHFFFAOYSA-N 379.470 3.553 0 40 GHAB COCCN(C(=O)c1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1 4186901 SZXJAWVBMNWADX-UHFFFAOYSA-N 388.445 3.714 0 40 GHAB O=C(c1cccc(Br)c1)N1CCC(c2nnc3ccccn23)CC1 12408353 XTTCVNWMMGXQRQ-UHFFFAOYSA-N 385.265 3.512 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4905126 YUQNJZJASIQUIZ-WAGURGNTSA-N 375.468 3.848 0 40 GHAB CC(C)[C@@H](OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccc(F)cc1 4967029 HQRHALRWGMEPAM-GOSISDBHSA-N 388.464 3.877 0 40 GHAB COc1ccc(-c2n[nH]c(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2)cc1 6141929 IPNSGNMXHPSMNY-UHFFFAOYSA-N 398.532 3.657 0 40 GHAB Cc1n[nH]c2c1[C@@H](c1cccc(O)c1)N(c1ccc(Br)cc1)C2=O 6413302 UZDOQUCUDGHZFV-QGZVFWFLSA-N 384.233 3.936 0 40 GHAB COc1cc(NC(=O)COCc2cc(-c3ccco3)on2)c(OC)cc1Cl 6876676 IGVUXOMDYUMHLM-UHFFFAOYSA-N 392.795 3.761 0 40 GHAB Cc1cc(OCC(=O)N2CCN(c3c(N)cccc3Cl)CC2)ccc1Cl 57332187 OZMNTYGVOBTKRS-UHFFFAOYSA-N 394.302 3.612 0 40 GHAB COc1cc(CC(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)ccc1C 54269453 HEESEAWYKBRIIH-UHFFFAOYSA-N 379.416 3.734 0 40 GHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)S3)cc1 937410 NADXIITZPHQXEL-UHFFFAOYSA-N 398.465 3.845 0 40 GHAB Cc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1Cl 8433529 JVQCGXUKQKTLKO-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB O=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc(CN2CCOCC2)c1 23379240 RYCJOVVQDLVCMS-UHFFFAOYSA-N 395.286 3.843 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3sccc3-n3cccc3)CC2)c(F)c1 12588715 ILTKPCFPHWIMOP-UHFFFAOYSA-N 397.475 3.843 0 40 GHAB C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2c(c1)NC(=O)CO2 12539498 CPUHULKURFZYEE-SECBINFHSA-N 382.363 3.795 0 40 GHAB Cc1ccccc1OC[C@@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 24204774 WGBFJMSTQCOKEB-IBGZPJMESA-N 394.437 3.576 0 40 GHAB C[C@]12CCC(=O)N1[C@H](C(=O)N[C@H](Cc1ccccc1)c1ccccc1)CS2 105929842 KLEPVTFYOHBHRD-DXIQSLLYSA-N 380.513 3.541 0 40 GHAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccccc1 1320541 MRXDIPKVXMJOOT-HSZRJFAPSA-N 375.399 3.833 0 40 GHAB Cc1csc(NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)n1 24926347 WUMZXPKHBMJBPH-UHFFFAOYSA-N 379.488 3.566 0 40 GHAB COc1ccc(C(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 3240946 KRXGCMZYSAOOKJ-UHFFFAOYSA-N 393.395 3.889 0 40 GHAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(Cl)cc2N)c1C 3294407 UCTISXJPHPKEDA-GFCCVEGCSA-N 378.856 3.588 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1OC 25618318 LRFBMIIGLIYQHN-AEFFLSMTSA-N 398.434 3.632 0 40 GHAB COC(=O)[C@H]1c2ccccc2CCN1Cc1ccc(OCC(F)(F)F)cc1 95405175 HFAKOAIYWZWHPS-GOSISDBHSA-N 379.378 3.900 0 40 GHAB COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)o2)c(OC)c1OC 12619195 WPMMZTBFIHTIEH-UHFFFAOYSA-N 388.445 3.667 0 40 GHAB CN(c1ccsc1C(=O)NCc1cccs1)S(=O)(=O)c1ccccc1 44170392 XDIXLJQRVGEROR-UHFFFAOYSA-N 392.527 3.565 0 40 GHAB CCCCN1C(=O)[C@H]2ON(c3ccccc3C)[C@H](c3ccc(OC)cc3)[C@@H]2C1=O 100799374 UQWSVJQDAOICJZ-HBMCJLEFSA-N 394.471 3.650 0 40 GHAB Cc1cccc(-c2nn3c(O)cc(C[C@H](C)n4nc(C)nc4C)nc3c2C)c1 100776340 HSGKPZBSJBLVAS-ZDUSSCGKSA-N 376.464 3.731 0 40 GHAB CCSc1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 20110543 YYPMFKPGFHKPJP-ZDUSSCGKSA-N 396.509 3.731 0 40 GHAB CCOC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)cc1 28280959 VHEHDALIKARWGC-PZJWPPBQSA-N 387.451 3.579 0 40 GHAB CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(C)cc1 20493346 KFPLKXDPAOAPJW-QGZVFWFLSA-N 380.897 3.901 0 40 GHAB Cc1cc(C)cc(NC(=O)C[C@H](NC(N)=O)c2ccc(Br)cc2)c1 36395023 AZODCDISFCHFDQ-INIZCTEOSA-N 390.281 3.804 0 40 GHAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(N(C)C)cc1 2371393 FWDHEXSLYOOVST-RXFWQSSRSA-N 376.437 3.838 0 40 GHAB CC(C)[C@@H](NC(=O)CN(C)Cc1ccc2c(c1)OCCO2)c1ccc(F)cc1 11231746 YFWRKNXLILXFFC-JOCHJYFZSA-N 386.467 3.542 0 40 GHAB COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c(OC)c1 3375039 PKMFZZRREJJZMI-FROQITRMSA-N 389.835 3.941 0 40 GHAB CC(C)c1ccc2c(c1)[C@@]1(Nc3ccccc3C(=O)N1C[C@@H]1CCCO1)C(=O)N2 48355585 SFQCAMMIYZANIJ-HJPURHCSSA-N 391.471 3.662 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)N(C)Cc1cccs1 48433747 ULMBTUSWQSMTKR-UHFFFAOYSA-N 382.533 3.641 0 40 GHAB Cc1ccc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)c(Cl)c1 12988247 QFZHMDMVVYWVDP-UHFFFAOYSA-N 378.900 3.786 0 40 GHAB Cc1cc(C)cc(-n2nnnc2S[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 13165305 QXXQWDQWTJEHMK-LJQANCHMSA-N 393.516 3.735 0 40 GHAB CCCc1cc(O)nc(S[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)n1 9194059 MDRHJSMAIIZLDM-QGZVFWFLSA-N 384.461 3.903 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1c(F)cccc1Cl 6271277 SCYKSGRBHKQQRF-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1C[C@@H]1CCCO1 5215814 PQESHIPHIIOERK-ORAYPTAESA-N 379.387 3.656 0 40 GHAB CC(=O)N1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)CC1 4458529 HWVCDMFGBAFQLZ-UHFFFAOYSA-N 395.547 3.900 0 40 GHAB O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)NC[C@H]1CCCO1 14000277 VPKKATROBLPNEO-LJQANCHMSA-N 388.467 3.930 0 40 GHAB CCCc1nnc(NC(=O)CSc2nnc(-c3ccco3)n2C(C)C)s1 4736112 XFFNEMNQKRCRAQ-UHFFFAOYSA-N 392.510 3.654 0 40 GHAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(-c2nc3ccccc3o2)c1 4731387 FXEPMRGMEPHYNQ-UHFFFAOYSA-N 397.390 3.730 0 40 GHAB CCCSc1nnc(NC(=O)c2nc(SCC)ncc2Cl)s1 6810490 WFNNWCLMVRPBHF-UHFFFAOYSA-N 375.932 3.848 0 40 GHAB COc1ccc(-c2cc3ncnc(NCCCN4CCOCC4)c3s2)cc1 15111843 GZEXBNTXXBLYLO-UHFFFAOYSA-N 384.505 3.501 0 40 GHAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc(N(C)C)cc4)no3)CC2=O)cc1F 9320968 YHOFVOIYAPNIIR-HNNXBMFYSA-N 380.423 3.771 0 40 GHAB COc1ccc(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1 7604815 YCVWAYAEGHBHOB-UHFFFAOYSA-N 396.428 4.000 0 40 GHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)nc(C)[nH]c1=O 16469050 MZFBRSZICCNYTO-UHFFFAOYSA-N 397.397 3.766 0 40 GHAB O=C(OCc1nc(-c2ccccc2)no1)C(O)(c1ccccc1)c1ccccc1 8188530 RBSVAGNURFVWNN-UHFFFAOYSA-N 386.407 3.716 0 40 GHAB CC(C)[C@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc2c(c1)OCCO2 8124362 GYQTZBFXTNCRBL-FQEVSTJZSA-N 379.412 3.691 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)Cn2c(=O)cnc3ccccc32)cc1 9549833 XXLZBMBXYPCZSX-HXUWFJFHSA-N 391.471 3.549 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1cccc(N3CCCC3=O)c1)O[C@H](C)C2 18238601 PBFQLXNKUUQLHF-CQSZACIVSA-N 380.444 3.788 0 40 GHAB Cc1ccc([C@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 8716652 PFSXTZZORGDTAA-KSFYIVLOSA-N 393.512 3.960 0 40 GHAB Cc1cc(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nc(C(C)C)n1 8775254 RNGDKAOOFGAEEX-CYBMUJFWSA-N 393.534 3.643 0 40 GHAB C[C@@H]1CN(CC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)C[C@@H](C)O1 19912480 CPTWKORZEYYJSJ-HZPDHXFCSA-N 395.528 3.935 0 40 GHAB O=C1c2ccccc2[C@H]2N1c1cc(F)ccc1-c1nc(=O)c(-c3ccccc3)nn12 71922027 NYHONCTVZVLEOA-QFIPXVFZSA-N 396.381 3.632 0 40 GHAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc(Br)c(F)c1 95067873 LEHRYLBRMNKBSK-UHFFFAOYSA-N 384.148 3.806 0 40 GHAB CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc3[nH]ccc3c2)cc1 95958994 OOWDWZGAEZFXDP-IBGZPJMESA-N 395.484 3.720 0 40 GHAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2c(C)cnn2-c2ccccc2)n1 95964538 KXPWAJYGADPYFJ-UHFFFAOYSA-N 387.443 3.936 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2C)cc1 9954270 ALLLRWBORIVSCU-GOSISDBHSA-N 392.908 3.749 0 40 GHAB Cc1c(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)oc2ccccc12 9908439 HFPSVKYYUUOFJN-OAHLLOKOSA-N 378.428 3.902 0 40 GHAB COc1ccc([C@H](C)Cc2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 546427522 WOLYAWGUNDLFHC-NVXWUHKLSA-N 377.444 3.945 0 40 GHAB O=S(=O)(Cc1noc2ccccc12)N1CC2(CCOCC2)[C@@H]1c1ccccc1 557101882 OVKHZIJWAUHELH-FQEVSTJZSA-N 398.484 3.511 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC 408697911 MQGMGZFGUKHKKW-UHFFFAOYSA-N 398.868 3.507 0 40 GHAB C[C@H]1c2ccsc2CCN1CC(=O)N1c2ccccc2NC(=O)C12CCCC2 557309239 XDPFCOQDMYQOBZ-HNNXBMFYSA-N 395.528 3.965 0 40 GHAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cccc(N2CCCC2=O)c1 26776705 NIGSUYBFJWRKAO-UHFFFAOYSA-N 385.423 3.566 0 40 GHAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(CN2CCCC2)cc1 38831612 GWLFYIVGCPRLAM-UHFFFAOYSA-N 377.532 3.808 0 40 GHAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2C(=O)c2cccnc2)n1 72376946 AAKVTVRTFBBALA-GOSISDBHSA-N 377.423 3.627 0 40 GHAB COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3OC)[C@@H](C)C(=O)[C@H]2C)c(OC)c1 36181891 CDLFHAJPNMKGLG-RZMCSOMXSA-N 399.487 3.948 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)CCOc1ccc(Cl)cc1 39995455 YIJGLWBJNRGPAO-UHFFFAOYSA-N 377.916 3.889 0 40 GHAB CCCSc1ncc(Cl)c(C(=O)NCCCC(=O)Nc2ccccc2)n1 46085652 JZRUTGVMALCEHO-UHFFFAOYSA-N 392.912 3.781 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1 222881972 ADYZTHJVWRJGAJ-KRWDZBQOSA-N 396.512 3.619 0 40 GHAB CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 223344564 JEHCEIRYHZCLKB-FYYLOGMGSA-N 394.515 3.852 0 40 GHAB COc1ccc(CCC(=O)Nc2nnc(SCC(C)C)s2)cc1OC 225216867 WRRXPYZRPWTRNZ-UHFFFAOYSA-N 381.523 3.875 0 40 GHAB CC[C@@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc(OC)c(OC)c1 225583938 TVIBVSOEHDDQGT-MRXNPFEDSA-N 393.505 3.759 0 40 GHAB CCc1cccc(CC)c1NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 223045881 QKOIPDXWWLJIKG-UHFFFAOYSA-N 388.533 3.633 0 40 GHAB COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222916673 BPQZXRIJLUZUEB-VQTJNVASSA-N 386.565 3.775 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(F)cc1 222934218 RBQBTERQQYXTKR-CQSZACIVSA-N 376.859 3.575 0 40 GHAB Cc1cc(C)cc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c1 44792043 SEEZYUFSYYQRSM-UHFFFAOYSA-N 395.484 3.532 0 40 GHAB CCCCOc1ccc(NC(=O)NC[C@@](C)(O)c2ccc3c(c2)OCO3)cc1 77184730 ZPICNJYOGLPCHO-OAQYLSRUSA-N 386.448 3.623 0 40 GHAB CCc1ccc(CC)c(CNC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)c1 224332073 PXQLBJNKHTZGEQ-UHFFFAOYSA-N 388.533 3.527 0 40 GHAB CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CC 223340816 HOLPSBNRHLZBMZ-JOCHJYFZSA-N 382.504 3.709 0 40 GHAB COc1ccc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C 223215225 UTIYGPBNTSCTDQ-UHFFFAOYSA-N 392.421 3.914 0 40 GHAB Cc1cc(=NC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)[nH]n1-c1cccc(F)c1 583365064 WBWDZGIBNWCYRX-IBGZPJMESA-N 379.439 3.752 0 40 GHAB O=C([C@H]1C[C@]2(CO1)CN(Cc1ccc(F)cc1F)c1ccccc12)N1CCCC1 96143994 HDDSJGYVTBCVPG-FYYLOGMGSA-N 398.453 3.634 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@]2(C[C@@H](CN3CCCC3)CO2)C1 96228366 GFIPCKSLOXAKQB-RDPSFJRHSA-N 393.531 3.584 0 40 GHAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)CC(C)C)CC2 96144999 WOBVVKARLVBULX-UHFFFAOYSA-N 380.536 3.749 0 40 GHAB O=C(Nc1cccc(CCCN2CCOCC2)c1)c1n[nH]c2c1CCCCCC2 257341695 ZLLKXELLONFHOE-UHFFFAOYSA-N 396.535 3.586 0 40 GHAB Cc1ccccc1OCCNc1ncc(C(=O)O)c(CCc2ccc(F)cc2)n1 257333309 YBARWAGLIHMJRA-UHFFFAOYSA-N 395.434 3.898 0 40 GHAB Cc1cnc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4ccccc4C)CC3)o2)cn1 257224309 FBGPWYQIQSCOHV-QAQDUYKDSA-N 391.475 3.847 0 40 GHAB COc1ccccc1S(=O)(=O)NCc1sc(-c2ccccc2C)nc1C 96024562 NSELFPYJUYDEJR-UHFFFAOYSA-N 388.514 3.914 0 40 GHAB Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(N)CC3)cc2)cc1C(F)(F)F 629748721 ANYJWZZFDDOUNA-UHFFFAOYSA-N 398.450 3.793 0 40 GHAB O=C(NCCc1ccc(C(F)(F)F)cc1)N1CCOc2cc(O)ccc2C1 671736221 RCPYXYHBRVRHHJ-UHFFFAOYSA-N 380.366 3.558 0 40 GHAB O=C(CCc1ccc(Cl)cc1)N1CCC[C@@]2(CCN2C[C@@H]2CCCO2)C1 585101804 HKSXFUCULRDLJV-PZJWPPBQSA-N 376.928 3.519 0 40 GHAB COCCCOc1cccc(CNC(=O)CCc2ccc(OC(F)F)cc2)c1 97020864 LLEDBHADNZSREF-UHFFFAOYSA-N 393.430 3.952 0 40 GHAB C[C@@H](NC(=O)c1cc(C(F)(F)F)cnc1O)c1ccc(NC(=O)C2CC2)cc1 635224453 YXEQWZOOKOFLOQ-SNVBAGLBSA-N 393.365 3.646 0 40 GHAB Cc1ccc(Sc2oc(/C=C3/NC(=O)NC3=O)cc2Br)cc1 1097019 PNWYYLOLJIBTLN-KPKJPENVSA-N 379.235 3.682 0 40 GHAB Cc1cccc(CN2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615155126 KARAURWBHYNIML-QHCPKHFHSA-N 382.479 3.922 0 40 GHAB COc1cc(C(=O)NCCOc2cccc3ccccc23)cc(OC)c1OC 5512476 XKZVYCJNGYZNBI-UHFFFAOYSA-N 381.428 3.674 0 40 GHAB CCc1onc(C)c1C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3cccnc3)ncc21 12276279 ZMBMXPXPKHCXSL-KRWDZBQOSA-N 391.475 3.841 0 40 GHAB CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCc4ccccc4C3)ccc21 12291384 DHTNLHAXYWIZAL-HSZRJFAPSA-N 378.516 3.714 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(OC)c1 12767345 BDNKALUBIQGOPM-IYPOZPNPSA-N 394.471 3.594 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCN(c3nc4ccccc4s3)CC2)cc1 12935763 AXIJFSGZGINFSO-UHFFFAOYSA-N 387.530 3.506 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2C)ccc1OC 13581355 QILWNVHNBPYASH-UHFFFAOYSA-N 390.505 3.595 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)c1 14081998 IPJWNYOZRILAQT-UHFFFAOYSA-N 398.488 3.539 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](Cc2ccc(Br)cc2)C[C@H]1C(=O)O 15442649 QZQORNWXNRXMOS-JSGCOSHPSA-N 384.270 3.702 0 40 GHAB O=C(NCC1CCCCC1)c1cc([C@@H]2CCCN(Cc3cccnc3)C2)no1 19339089 NHFMQUVJRHNPIZ-LJQANCHMSA-N 382.508 3.759 0 40 GHAB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)CSc1ccncc1)C2 19562472 WCOLDLSWIYOWAW-OAQYLSRUSA-N 398.528 3.562 0 40 GHAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4ccccn4)C3)noc2n1 19568826 IQZWUOZYXKNQRM-LBPRGKRZSA-N 390.365 3.965 0 40 GHAB C[C@H](NC(=O)c1cc(COc2ccc(F)cc2)on1)c1ccc2c(c1)OCCO2 19663177 BJSYMVNHOQCIKH-ZDUSSCGKSA-N 398.390 3.655 0 40 GHAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccc(Br)o1 575608069 LSBJWGYDTMKQCN-UHFFFAOYSA-N 390.184 3.648 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(C(F)(F)F)n3C)c2C)no1 3426310 UZYGDYSWDXHIJE-UHFFFAOYSA-N 399.398 3.513 0 40 GHAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1ccc(N2CCCC2=O)cc1 4890708 ASKJIHGKVINPDF-UHFFFAOYSA-N 387.819 3.690 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5672891 VXYZBJZWNBQCOS-OAHLLOKOSA-N 380.444 3.573 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)c1cncc(Br)c1 1888951538 NDVQWHOYTVEQQR-LBPRGKRZSA-N 393.262 3.629 0 40 GHAB FC(F)(F)c1ccnc(N2C[C@@H]3[C@H](CCN3c3nc4cnccc4s3)C2)c1 1889202464 YEJOVKJHSQCYMC-BXUZGUMPSA-N 391.422 3.820 0 40 GHAB O=C(COc1ccc2c(c1)CCC2)Nc1ccccc1C(=O)NCc1ccco1 15516944 DNEGLYHTCNOKKY-UHFFFAOYSA-N 390.439 3.716 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@H]2CN(Cc3cc(C4CC4)on3)C[C@@H]2C1 2086968329 LNTOWILNOGKHMC-ZIAGYGMSSA-N 378.398 3.534 0 40 GHAB COc1ccccc1-c1nc2c(c(=O)[nH]1)Cc1cc(Br)ccc1O2 8568400 YVAQXSHHBOFDPY-UHFFFAOYSA-N 385.217 3.905 0 40 GHAB COc1ccc(SCCC(=O)Nc2nnc(-c3ccccc3OC)o2)cc1 10219620 CPXSURMODIFNPM-UHFFFAOYSA-N 385.445 3.875 0 40 GHAB C[C@@H](NC(=O)CCCSc1ccc(NC(=O)C2CC2)nn1)c1ccccc1 11793942 KQQMFMZTRNYZDK-CQSZACIVSA-N 384.505 3.575 0 40 GHAB Cc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)c(C)c1 23127715 MLCANHKOARQQRM-UHFFFAOYSA-N 378.563 3.555 0 40 GHAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1c1ccccc1 207993995 AJPUDSUCYLOZCX-GOSISDBHSA-N 398.450 3.794 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccco3)CC2)cc1F 219452691 NOOCOBNQVXAUOP-QGZVFWFLSA-N 385.482 3.686 0 40 GHAB COc1ccc(S(=O)(=O)NCc2cncc(-c3cccs3)c2)cc1Cl 225668928 DTLIRIUAUFICQK-UHFFFAOYSA-N 394.905 3.951 0 40 GHAB COc1ccc(C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)cc1F 12087758 FIKHHGHHMOAHGR-UHFFFAOYSA-N 379.435 3.985 0 40 GHAB CCn1c(-c2ccco2)nn(CN2CCc3c(cccc3NC(C)=O)C2)c1=S 40155851 FJMLAVXBSQZVAO-UHFFFAOYSA-N 397.504 3.668 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccc(C(F)(F)F)c1 31506533 BEUQCEACXVPMBR-UHFFFAOYSA-N 378.394 3.814 0 40 GHAB COc1ccc(C)cc1NC(=O)CSc1nc(CN(C)C)nc2ccccc12 31619261 QUESGRYNSLZVJK-UHFFFAOYSA-N 396.516 3.739 0 40 GHAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)cc1C 32754074 ARGLNARYFTVEEI-KPKJPENVSA-N 377.444 3.732 0 40 GHAB CCc1ccc(Cn2nccc2NC(=O)c2nn(-c3ccccc3)nc2C)cc1 21599679 WFEYNXAFRWBJAK-UHFFFAOYSA-N 386.459 3.635 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCc2ccccc21)c1ccccc1 32843521 CYTIHFBOGOEXID-GOTSBHOMSA-N 384.479 3.831 0 40 GHAB COc1cccc(C(=O)NC2CCN(C(=O)CSc3ccc(C)cc3)CC2)c1 32923053 QLRRLLWWMUULSU-UHFFFAOYSA-N 398.528 3.517 0 40 GHAB CCCNC(=O)c1cc2ccc(OC(=O)c3ccc(C)c(C)c3)cc2oc1=O 1810923 NJXDZLRMDOAODT-UHFFFAOYSA-N 379.412 3.769 0 40 GHAB CC(C)CNC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2249843 MHBJCVWYNRXYQM-UHFFFAOYSA-N 391.450 3.740 0 40 GHAB COc1cccc(C(=O)Nn2c(-c3ccc(C)cc3)nc3ccccc3c2=O)c1 2332777 KNYFKAMTFXOJTP-UHFFFAOYSA-N 385.423 3.764 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N 2397897 CBBLNNAMHGJZRT-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB Cc1ccc(CNC(=O)COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 2628498 SCYMMMYGTALHDW-UHFFFAOYSA-N 391.345 3.815 0 40 GHAB CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 2646750 ONAALHACVPHFBI-QHCPKHFHSA-N 393.487 3.692 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 3255881 QRFJVLYJYPWXTK-HSZRJFAPSA-N 389.455 3.602 0 40 GHAB Cc1c(Cl)cccc1-n1c(S[C@H]2CCOC2=O)nnc1-c1ccncc1 3415321 IERRQZMVFSUNEU-HNNXBMFYSA-N 386.864 3.699 0 40 GHAB COc1cccc(Nc2nnc(SCC(=O)N3CCc4ccccc43)s2)c1 3439674 RVXGNQXBYFABIX-UHFFFAOYSA-N 398.513 3.972 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC12CC3CC(CC(C3)C1)C2 4313504 SXPCRVYIZNBTMD-UHFFFAOYSA-N 388.817 3.606 0 40 GHAB O=C(NC(=S)Nc1ccccc1N1CCOCC1)C12CC3CC(CC(C3)C1)C2 4867710 FPICSPMFSFIQBG-UHFFFAOYSA-N 399.560 3.553 0 40 GHAB COc1cc(OC)c(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 4870474 XFUWJTKKTVVTAO-CYBMUJFWSA-N 397.427 3.930 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)CCC(=O)c1cc(C)sc1C 4883619 LEGWOVUXSQQNHA-UHFFFAOYSA-N 389.473 3.908 0 40 GHAB CCOc1ccc(-n2c(C)nc3c(cnn3-c3ccccc3Cl)c2=O)cc1 4971934 FDKHMSYRMZGVML-UHFFFAOYSA-N 380.835 3.932 0 40 GHAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccccn2)cc1 5027025 XBJRLQVACSHZRE-OAQYLSRUSA-N 396.406 3.920 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc(-c3nnco3)cc2)c1C 5209058 KUNMQKHTLGMSLE-ZDUSSCGKSA-N 383.404 3.508 0 40 GHAB COc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccco4)CC3)nc12 5256751 JNDXPYMRKIBDCL-UHFFFAOYSA-N 377.853 3.514 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(Br)o1 6066239 FPNMRCDCKBEDQR-ROMREFBGSA-N 384.270 3.682 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=O)COc3cccc4ccccc34)oc2c1 6304995 RYSLROFOWRRYND-UHFFFAOYSA-N 375.384 3.957 0 40 GHAB COCCNc1oc(/C=C/c2cccs2)nc1S(=O)(=O)c1ccccc1 6719457 DHBUQSQTXHEGJT-MDZDMXLPSA-N 390.486 3.798 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(C)cc1)S2 6812092 SGEKFHNVZUHPPW-QZTJIDSGSA-N 397.479 3.686 0 40 GHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CS2 7306452 FHJYCCGYFYVRRF-BXUZGUMPSA-N 378.803 3.751 0 40 GHAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(OC)cc1OC 7418105 OKKQJMLNWZTDET-UHFFFAOYSA-N 384.384 3.984 0 40 GHAB Cc1cccc2nc(COc3ccc(Cl)cc3Br)cc(=O)n12 7437543 QJYHDLBRUBBDEB-UHFFFAOYSA-N 379.641 3.998 0 40 GHAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(OC)cc1 7939857 IASFNNZDQFRTIP-UHFFFAOYSA-N 398.459 3.548 0 40 GHAB COC(=O)c1sc2nc(C)nc(N[C@@H]3CCN(Cc4ccccc4)C3)c2c1C 7974151 WFUCBTPVSKLHSB-MRXNPFEDSA-N 396.516 3.781 0 40 GHAB COc1cc(/C=C2\SC(=O)NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 8112608 GXFQDNNWZPLUFE-DHDCSXOGSA-N 389.816 3.892 0 40 GHAB Cc1ccc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c(O)c1 8131985 SAGQLJHUHWZZED-UHFFFAOYSA-N 397.481 3.839 0 40 GHAB CCc1n[nH]c(=S)n1NCc1cccc(OC)c1OCc1ccc(F)cc1 8339376 IZHJUJMNPPDOFB-UHFFFAOYSA-N 388.468 3.973 0 40 GHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)C1 8342157 KGAQFNQXCUWQCW-IRXDYDNUSA-N 386.517 3.598 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H](C)c2cccc(Cl)c2)c1C 8490508 FVBCEIFNSZDJSZ-NSHDSACASA-N 376.840 3.522 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2NC1=O 9656768 JMKVACLMQNWKIL-JTQLQIEISA-N 382.470 3.890 0 40 GHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(OC(F)(F)F)cc1 9709810 KFWZFLDIZZQBGO-UHFFFAOYSA-N 389.337 3.826 0 40 GHAB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)NCCc1ccccc1 9850547 KLGUCJQNUWJUEJ-UHFFFAOYSA-N 388.467 3.727 0 40 GHAB CC(C)N1CCc2c(sc(NC(=O)Cc3ccc(Cl)s3)c2C(N)=O)C1 10061547 DWXYHHJYEFAMMO-UHFFFAOYSA-N 397.953 3.510 0 40 GHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1 10370190 YIDGKCWCLOBXKV-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB C[C@H](OC(=O)c1cccnc1O)C(=O)N(Cc1ccccc1)Cc1ccccc1 11425585 CXKBMJHCSDHYCF-KRWDZBQOSA-N 390.439 3.562 0 40 GHAB CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C2CCCC2)n1 11854695 RTOJOZSNHABKCN-UHFFFAOYSA-N 397.504 3.765 0 40 GHAB O=C(Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)NCc1cccnc1 11866116 GQVBVDMLYUIQPB-UHFFFAOYSA-N 393.390 3.963 0 40 GHAB O=C(Nc1cc(C2CC2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1)C1CCCC1 12128415 QRKRWWXVZOYVDF-UHFFFAOYSA-N 389.459 3.629 0 40 GHAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)O[C@H]2CCOC2=O)cc1 12958416 LDFAUYQYOBHPQP-IBGZPJMESA-N 397.402 3.774 0 40 GHAB Cc1cc(S(=O)(=O)N2CCC[C@H]2c2cccn2C)ccc1Br 12973662 NIYWZHNMVWXEAP-INIZCTEOSA-N 383.311 3.622 0 40 GHAB CCc1noc(CSc2nc3sc4c(c3c(=O)n2CC(C)C)CCC4)n1 12998872 DCBPKHZTMLPLOU-UHFFFAOYSA-N 390.534 3.840 0 40 GHAB CCN(CC(=O)Nc1ccccc1OC)CC(=O)Nc1c(C)cc(C)cc1C 13059022 WOWQSZTXUPZNAG-UHFFFAOYSA-N 383.492 3.520 0 40 GHAB CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 13684513 PIEYJUMELLMHNJ-LJQANCHMSA-N 396.487 3.736 0 40 GHAB O=C1C[C@H](c2cc(Cl)ccc2F)c2c(O)nc3nc4ccccc4n3c2N1 13722346 FVIHBUWTWKIYCR-LLVKDONJSA-N 382.782 3.855 0 40 GHAB CCc1ccccc1N1C[C@H](c2nnc(NC(=O)CC(C)(C)C)s2)CC1=O 13944377 AWZMCJUFHXFBIZ-CQSZACIVSA-N 386.521 3.996 0 40 GHAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)nc2n1 14074833 UTEBUSVVSNSBDX-NSHDSACASA-N 395.410 3.879 0 40 GHAB CC(C)c1ccccc1NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 15543872 POHPXGWWIXIKKR-UHFFFAOYSA-N 385.552 3.863 0 40 GHAB Cc1nc(-c2ccc(NC(=O)c3sc4ncn(C)c(=O)c4c3C)cc2)cs1 16506193 CLQRBIIOQJFMOD-UHFFFAOYSA-N 396.497 3.988 0 40 GHAB O=C(c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)N2CCCCC2)cc1 17173184 BBNLARXQTARATQ-UHFFFAOYSA-N 379.865 3.681 0 40 GHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)c3ccccc3F)C1)N2 19128243 ZFOMFSDUAKDWAS-RRQGHBQHSA-N 392.425 3.873 0 40 GHAB CC(=O)NC1(c2ccccc2)CCN(Cc2c(C)nc3ccc(Cl)cn23)CC1 19658712 PDZANPFFMPSOHV-UHFFFAOYSA-N 396.922 3.924 0 40 GHAB Cc1ccc([C@@]2(O)CCN(C(=O)CC3CCN(C4CCCCC4)CC3)C2)cc1 19719877 AFBPVYZXOMSVFZ-XMMPIXPASA-N 384.564 3.850 0 40 GHAB Cc1nn(C)cc1NC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 19748831 SZWZSPIWNKNXSP-UHFFFAOYSA-N 394.441 3.988 0 40 GHAB COc1ccc(SCC(=O)NCc2ccccc2-n2ccnc2C)cc1OC 20451464 ZTRHGHBIOLNJTH-UHFFFAOYSA-N 397.500 3.606 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)Oc1cccc(C(C)=O)c1 21130470 JEBIVUMEVOOEIX-UHFFFAOYSA-N 399.262 3.818 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 22331169 NQJWMPNCLDKUDM-OAHLLOKOSA-N 394.924 3.600 0 40 GHAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccccc3C(N)=O)s2)cc1 23074427 UBOSIUAGHRUIEY-UHFFFAOYSA-N 381.457 3.690 0 40 GHAB COc1ccc(CNC(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 23140469 CIIWAIZYRGYUSE-HNNXBMFYSA-N 398.488 3.896 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 24523020 UJNBMDBZMWBQHZ-GHMZBOCLSA-N 383.275 3.769 0 40 GHAB CN(Cc1cccc(Cl)c1)C(=O)CCCNC(=O)c1ccc(F)cc1F 25175239 MCAHTYCOKITHFX-UHFFFAOYSA-N 380.822 3.787 0 40 GHAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1cnnn1)c1ccc(Cl)cc1Cl 25537560 RLERULFUZVGTEF-YVEFUNNKSA-N 390.274 3.641 0 40 GHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cs1 26884176 UXRAYXQTJVZJCQ-QGZVFWFLSA-N 395.528 3.799 0 40 GHAB O=C(c1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c[nH]1)N1CCCC1 29435669 UKBFODIHOIBJMI-UHFFFAOYSA-N 395.484 3.719 0 40 GHAB CCSc1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 30756948 HFUDFZZDYYQXRA-UHFFFAOYSA-N 392.546 3.820 0 40 GHAB COC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cc(OC)cc(OC)c2)c1 30952753 FDKPEQIDUNEVJL-UHFFFAOYSA-N 398.459 3.733 0 40 GHAB COC(=O)CCCN(C)C(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 32278467 NNWNHRLXOYXBCI-UHFFFAOYSA-N 393.443 3.737 0 40 GHAB Cc1cccc(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c1O 32760789 BEOAUJCRYMDGHY-UHFFFAOYSA-N 393.270 3.606 0 40 GHAB CCOc1cc(C(=O)Nc2ccc(N(C)C)nc2)ccc1OCc1cccnc1 32795938 SRJGODDXUVKYBA-UHFFFAOYSA-N 392.459 3.773 0 40 GHAB CCOc1cc2c(cc1CNC(=O)c1oc3c(c1C)C(=O)CCC3)O[C@H](C)C2 41687563 CHPAIDLBKYUHRC-GFCCVEGCSA-N 383.444 3.759 0 40 GHAB CN(C)[C@H](CNC(=O)c1ccc2nsnc2c1)c1cccc2ccccc12 42381921 CKNIIVBULCWUOK-HXUWFJFHSA-N 376.485 3.877 0 40 GHAB CCCNC(=O)C1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 42685660 FHWZXSNRPPZPAL-LBPRGKRZSA-N 386.323 3.559 0 40 GHAB Fc1cc(Br)ccc1-c1nn2c(-c3cccnc3)nnc2s1 44919606 RLBBTXSVNQBNPN-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB Cc1ccc(OC2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)cc1C 48289240 DBGGWWNAQZAOFD-UHFFFAOYSA-N 383.517 3.725 0 40 GHAB CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)c1ccc(=O)n(C)n1 48332945 OXEFGQRLNHZMMH-UHFFFAOYSA-N 385.464 3.699 0 40 GHAB CCOc1ccccc1N1CCN(C(=O)c2sc(-n3cccc3)nc2C)CC1 49006238 HSBWHGMIHYKEKD-UHFFFAOYSA-N 396.516 3.603 0 40 GHAB CCn1cc(C(=O)Nc2cccc3ccc(OC)nc23)c(=O)c2ccc(C)nc21 49027946 YSKLZIDAFZOUIX-UHFFFAOYSA-N 388.427 3.534 0 40 GHAB Cc1ccnc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)cn2C)c1 49551471 YUTVFUBRKWSIRF-UHFFFAOYSA-N 383.835 3.573 0 40 GHAB CCN1CCN(c2ccc(N[C@H](C)C(=O)NCc3ccc(C)cc3)c(C)c2)CC1 56170331 SKOWCXZVPIZUQT-HXUWFJFHSA-N 394.563 3.562 0 40 GHAB CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 57670790 CSKMWIVQIJYYLG-OAQYLSRUSA-N 394.498 3.524 0 40 GHAB CN(c1ccccc1)C1CCN(C(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)CC1 58158297 GFWJHCUFJJPRCF-UHFFFAOYSA-N 395.478 3.672 0 40 GHAB O=C(NC1CCN(C(=O)CCc2ccccc2Cl)CC1)C1CCCCC1 58224990 FVVMWDFMVRXVMK-UHFFFAOYSA-N 376.928 3.960 0 40 GHAB Cc1ccc(-n2nc(C)c(C(=O)NCCc3nc4c(s3)CCCC4)n2)c(C)c1 65532424 AADCOGLQCNUFRW-UHFFFAOYSA-N 395.532 3.500 0 40 GHAB O=C(CCCCc1ccc(Br)cc1)N1CCCN2CCC[C@H]2C1 65613536 JBZNGGPHYGITPM-SFHVURJKSA-N 379.342 3.859 0 40 GHAB CCc1ccc(Nc2nn[nH]c2C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 67283553 FTVFXWLOKQWFJF-CYBMUJFWSA-N 395.463 3.619 0 40 GHAB CCS(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1 72280780 KOLNKLXLXQBTNL-UHFFFAOYSA-N 387.835 3.684 0 40 GHAB COc1cccc(N2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)C2)c1 89470179 WSBIMTOMQFCPQC-QGZVFWFLSA-N 396.512 3.653 0 40 GHAB O=C(COc1ccccc1Cl)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(O)=N2 95472204 OPOZUYWAKYTHDG-INIZCTEOSA-N 399.834 3.564 0 40 GHAB Fc1cc(Br)cc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 95980438 QBHMDNONGWGILB-CYBMUJFWSA-N 379.277 3.963 0 40 GHAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)C3CCC3)CC2)Oc2ccccc21 96243280 MIPRAGWFIMJLKM-IBGZPJMESA-N 398.547 3.973 0 40 GHAB CCc1ccc(NC(=O)N2CCc3onc(COc4cccnc4)c3C2)cc1 96260072 OQVVNNPJZNIBSI-UHFFFAOYSA-N 378.432 3.801 0 40 GHAB CCn1nc(NC(=O)Nc2nnc(Cc3cccc(OC)c3)s2)cc1C1CC1 97101352 BNHFDCPGGNWANH-UHFFFAOYSA-N 398.492 3.875 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3N=NN(c4cccc(C(F)(F)F)c4)[C@@H]3C2=O)cc1F 101260564 YRJWCHUSEKAYJA-GJZGRUSLSA-N 392.312 3.651 0 40 GHAB Cc1ccc(C)c(SCC(=O)OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 108869113 IGIORBKYTVMXGL-XSLAGTTESA-N 375.534 3.880 0 40 GHAB Cc1c(Cl)cccc1N(CCCC(=O)NC1CCCCC1)S(C)(=O)=O 113965632 ZWVFUUSERBROIR-UHFFFAOYSA-N 386.945 3.644 0 40 GHAB OCCN1CCC(c2ccnc(Nc3ncc(CC(F)(F)F)s3)c2)CC1 143114662 URKLAGPKUONBHA-UHFFFAOYSA-N 386.443 3.558 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 148417541 DOCQQVYEBXZEBF-UHFFFAOYSA-N 390.487 3.940 0 40 GHAB CC(C)c1ccc(CCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222425387 MDVWHPPVOOZDFU-UHFFFAOYSA-N 388.533 3.568 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 222583350 UBDRQVWGWFTOQQ-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 223093253 HBLDOJMHWRYVQV-LJQANCHMSA-N 382.504 3.707 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1OC 223703497 HTRSTVLFUUQSGM-UHFFFAOYSA-N 393.505 3.657 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1cc(C)ccc1C 223779201 KUQOGSMITIWSDJ-UHFFFAOYSA-N 377.491 3.626 0 40 GHAB CC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1Cl 224068377 DUCDWKMFMAQWOF-GFCCVEGCSA-N 396.896 3.678 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSc1ccccc1 225040292 VBGRCAARQZUINE-SFHVURJKSA-N 384.545 3.765 0 40 GHAB CC1(C(=O)Nc2ccc(OC3CSC3)cc2)COC2(CCCCC2)OC1 225915980 WEDIXPRNFPCAHK-UHFFFAOYSA-N 377.506 3.833 0 40 GHAB CCc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1 244546561 ZZKKSUBHGDUKOF-UHFFFAOYSA-N 380.897 3.616 0 40 GHAB Cc1nn(C)cc1CN1CCO[C@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 257288386 PTZWQWYIKKIXOE-QFIPXVFZSA-N 396.922 3.941 0 40 GHAB Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(C)nc(-c3c(C)noc3C)n2)on1 257325506 WTEYNBWLQWHBPE-MRXNPFEDSA-N 381.436 3.721 0 40 GHAB COc1ccc(S(=O)(=O)NCCc2ccc(-c3ccoc3)s2)c(C)c1 390829771 GMEKIEDUBDZRTI-UHFFFAOYSA-N 377.487 3.846 0 40 GHAB O=S(=O)(CCc1ccccc1)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 508067543 JRGGCAGUFCMRKH-QGZVFWFLSA-N 382.407 3.933 0 40 GHAB CC[C@H](c1ccccc1)S(=O)(=O)NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 529019636 IDCQIZOFFDBAPP-GUDVDZBRSA-N 375.465 3.917 0 40 GHAB O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)N1CC[C@H](n2cccn2)C1 581045849 WAMWSYJXHKOROV-INIZCTEOSA-N 390.369 3.567 0 40 GHAB Cc1ccc(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)c(C)c1 585111146 GRISTLKKHNWPJD-NRFANRHFSA-N 375.472 3.592 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCCc2ccccc2C)[C@@H]1c1ccc(OC)cc1 585168460 AVSZKMOXXYISRS-GGAORHGYSA-N 394.515 3.662 0 40 GHAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCN2C(=O)/C=C/c2cccnc2)n1 585293012 RDVUWOVEAYDYMX-IHHMQQGQSA-N 386.459 3.614 0 40 GHAB O=C(c1cc(C2CC2)on1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 585532525 SMEXIVUZYMNIMY-UHFFFAOYSA-N 395.381 3.897 0 40 GHAB O=C(NCCc1ccccc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21 1083103357 BIGTZVFWQRWBCF-BXXSPATCSA-N 379.548 3.834 0 40 GHAB COc1ccc2cc(C(=O)NC[C@H](O)c3ccc(-c4ccco4)cc3)[nH]c2c1 1775966722 WDZFGLFTUYALBN-FQEVSTJZSA-N 376.412 3.900 0 40 GHAB Cc1nc(C(=O)N2CCC3(CCN(C(=O)c4ccccc4)CC3)CC2)cs1 2055793353 SDXFDCVFXJUOQG-UHFFFAOYSA-N 383.517 3.610 0 40 GHAB O[C@@H]1CCCN(c2c3c(nc4cc(-c5cccc(Cl)c5)nn24)CCCC3)C1 1341699 ATROCBXWNOHIPH-MRXNPFEDSA-N 382.895 3.890 0 40 GHAB CC(C)c1cccc(-n2cc(O)c(C(=O)N3CCN(c4ccccc4)CC3)n2)c1 78875613 VYDWSCQNLXNXTF-UHFFFAOYSA-N 390.487 3.664 0 40 GHAB CCC(C)(C)n1nnnc1[C@@H](c1cc(OC)ccc1OC)N1CCC(C)CC1 4847713 IMERRAHZSPOWPG-LJQANCHMSA-N 387.528 3.657 0 40 GHAB Cc1cc(C)nc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2ccccc2)n1 6679374 HCEBVAWNPLAJQB-PBHICJAKSA-N 379.489 3.751 0 40 GHAB Cc1ccc2nc(COC(=O)c3cc(C4CC4)nc4ccccc34)cc(=O)n2c1 7509624 RNMZTNWBLOETRR-UHFFFAOYSA-N 385.423 3.786 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1F)c1nccn1C 12550077 YPTTWNXNCWLZMD-ACJLOTCBSA-N 387.842 3.886 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccc(C)cc1 8090141 DMEKJYAPIVCGCE-UHFFFAOYSA-N 380.517 3.606 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)NCc2ccc(CN(C)C)cc2)c1 8431175 CAKFWHHNICHYEG-UHFFFAOYSA-N 393.487 3.862 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)CCCC(=O)O)c1 8434589 QVEXWCYCLONRKT-UHFFFAOYSA-N 390.823 3.794 0 40 GHAB COc1cc(/C=C/C(=O)Nc2nc(C)c(-c3nccn3C)s2)cc(OC)c1 12575955 VXTFGZBKAAMFSO-AATRIKPKSA-N 384.461 3.521 0 40 GHAB Cc1ccccc1OCCN(C)S(=O)(=O)c1ccccc1OC(F)(F)F 23404077 NBSWOMGZPPDKKV-UHFFFAOYSA-N 389.395 3.593 0 40 GHAB Cc1cccc(-n2c(=O)c3c4c(sc3n3cnnc23)CO[C@@H](C(C)C)C4)c1 1243747 GKTKDXXVXGGXHS-OAHLLOKOSA-N 380.473 3.501 0 40 GHAB Cc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4 1240709 BZTPGIGGPHAFEI-UHFFFAOYSA-N 394.500 3.508 0 40 GHAB CCn1c(SCc2nnnn2-c2ccccc2)nnc1-c1cccc(Cl)c1 9514613 YALLYWDSKGGLMO-UHFFFAOYSA-N 397.895 3.886 0 40 GHAB CC(=O)CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)cc1 25308554 ORFXYXDFNCJWSI-JTHBVZDNSA-N 385.479 3.924 0 40 GHAB O=C(NCc1ccccc1Sc1ccccc1)NCc1nnc2n1CCCC2 107341496 MUPFAVSUQGLBGV-UHFFFAOYSA-N 393.516 3.765 0 40 GHAB Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H](N(C)Cc4ccco4)[C@H]3C2)c1 107746083 LMMGCAKKQWYAKJ-DZFGPLHGSA-N 388.533 3.509 0 40 GHAB O=C(Nc1cccc2cn[nH]c12)c1nn(Cc2ccccc2)c(=O)c2ccccc12 26872365 VCIIVUQQWGJJFO-UHFFFAOYSA-N 395.422 3.573 0 40 GHAB O=C(CCCSc1nc(=O)c2c3c(sc2[nH]1)CCC3)NC1CCCCC1 1805050 YMHYAXRYTINIMH-UHFFFAOYSA-N 391.562 3.795 0 40 GHAB COc1ccc([C@H](CNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)N2CCCCC2)cc1 102971534 MNUGDEHINUOVDO-DWIQEWEKSA-N 387.593 3.875 0 40 GHAB CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 58017734 NAAILAPHVKCXCD-KXBFYZLASA-N 394.899 3.626 0 40 GHAB O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccc(Cl)cc1F 27447642 XQCNHNUZOUSEKS-UHFFFAOYSA-N 376.815 3.733 0 40 GHAB O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1ccoc1 12778720 ADCHHVGNXJNWKO-UHFFFAOYSA-N 392.820 3.692 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)NCc3cccnc3OC)ccc2s1 58171002 GZJUPMQHLPEEIV-UHFFFAOYSA-N 385.445 3.803 0 40 GHAB C[C@@H](Nc1ccc(NC(=O)c2ccco2)cc1)C(=O)N1CCc2ccccc21 22977394 ZECNUJYWOCAQNV-OAHLLOKOSA-N 375.428 3.922 0 40 GHAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(F)cc3)n2)cc1OC 2199790 FKMOUNXWGMOKEM-UHFFFAOYSA-N 385.395 3.854 0 40 GHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc3ncc(Br)cn3n2)C1 101064202 VHYZLAGZYHZDME-YVEFUNNKSA-N 377.286 3.533 0 40 GHAB CC(C)CNC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 2253347 FPVUCHGZNWPOIK-UHFFFAOYSA-N 377.423 3.681 0 40 GHAB COc1ccc(C(=O)N[C@H]2CC[C@]3(C)CC[C@H]4[C@H](C)C(=O)O[C@@H]4[C@H]3[C@@H]2C)cc1 20466256 SVFSJLPHHZLVIH-IOGDBTPVSA-N 385.504 3.818 0 40 GHAB biogenic,in-vitro CN1C(=O)[C@@]2(OCc3ccccc3N2C(=O)c2ccccc2F)c2ccccc21 10157769 BLYMZJCIJJJLDL-QHCPKHFHSA-N 388.398 3.832 0 40 GHAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(Cn2cncn2)cc1 10817350 WSDSEEPLAAITDZ-UHFFFAOYSA-N 397.410 3.980 0 40 GHAB C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)N[C@H]1CCc2ccccc21 45305375 SIKQPGYHCKOGFM-CVDCTZTESA-N 392.547 3.574 0 40 GHAB COc1ccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc1 2372674 KDXXWFNSXWNNCJ-UHFFFAOYSA-N 375.384 3.935 0 40 GHAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)OC(C)C)CC2=O)cc1 8845071 BVNGKJWDDITHDU-KRWDZBQOSA-N 391.471 3.817 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1cccc(C)c1 11689707 TVTZHHIWQUPOJX-UHFFFAOYSA-N 384.295 3.587 0 40 GHAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1Br 3499154 BOQLGOBZHKJCLI-UHFFFAOYSA-N 380.263 3.951 0 40 GHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 409119660 SNPDKTMHYZFLDW-MUOOZZNISA-N 399.424 3.747 0 40 GHAB Cc1cccc(-n2nnnc2SCC(=O)N(Cc2ccccc2)C(C)(C)C)c1 2623828 WBCGWUVMDGWPCZ-UHFFFAOYSA-N 395.532 3.890 0 40 GHAB Cc1ccc2c(COC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)cc(=O)oc2c1C 12938192 SIXOBYQIALFQFQ-QGZVFWFLSA-N 395.386 3.718 0 40 GHAB COc1ccccc1N(C(C)=O)c1nc(COc2ccccc2C(N)=O)cs1 12986962 ZWLCUYMYICZXCF-UHFFFAOYSA-N 397.456 3.514 0 40 GHAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N(C)Cc1ccc(Cl)cc1Cl 12905869 GSALRNJLRNSQSW-UHFFFAOYSA-N 386.304 3.639 0 40 GHAB CCc1c(C(=O)Nc2cc(C(=O)OC)ccc2OC(C)C)[nH]c(C)c1C(C)=O 63622335 FYSBTTCJUCRQCY-UHFFFAOYSA-N 386.448 3.914 0 40 GHAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nncs2)C12CCCC2 71280567 YVQQKAOEEFOVIM-BBRMVZONSA-N 384.505 3.828 0 40 GHAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nncs2)C12CCCC2 71282323 FDTUQKHKOAZXLE-INIZCTEOSA-N 384.505 3.685 0 40 GHAB Cc1ccc([C@@H](CCC(=O)O)N2CCN(C(=O)c3ccccc3C)CC2)cc1 408603147 AXYPLCUBAMDGAS-OAQYLSRUSA-N 380.488 3.667 0 40 GHAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1 5033927 PQIZFLDKYBRAST-CQSZACIVSA-N 397.504 3.914 0 40 GHAB CCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1Cc1ccccc1 5266084 MXVXVAVAGCYRIM-UHFFFAOYSA-N 388.471 3.536 0 40 GHAB O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccco1)Nc1ccccc1 4738804 JYBJVAJZUUUUAK-IBGZPJMESA-N 389.411 3.646 0 40 GHAB COc1ccc(C2=N/C(=C/c3ccc(OC(F)F)cc3)C(=O)O2)cc1OC 5661878 VOAQHJHQVDNCAS-NTEUORMPSA-N 375.327 3.650 0 40 GHAB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3cccs3)C[C@H]21 4980621 MDBVKRFCJFDREM-QGZVFWFLSA-N 397.500 3.639 0 40 GHAB Cc1cc(-n2cc(C(=O)NCc3ccccc3C(F)(F)F)nn2)ccc1F 67262000 DOKCOONQZDZTTM-UHFFFAOYSA-N 378.329 3.664 0 40 GHAB CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccccc1 7037492 QOJKYHUZEDJTBW-FQEVSTJZSA-N 388.533 3.988 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(Br)cc1 7115685 XWWLZLUDSNTFEI-GFCCVEGCSA-N 388.265 3.625 0 40 GHAB O=C(Cn1c(=O)c2nnc(-c3ccccc3)n2c2ccccc21)c1ccccc1 68734543 CYTWPOUNYSQDHN-UHFFFAOYSA-N 380.407 3.594 0 40 GHAB COc1ccc(Br)cc1-c1nc(COC(=O)[C@H]2CCCO2)cs1 16655085 NONZHMWJVKEFGS-CQSZACIVSA-N 398.278 3.803 0 40 GHAB Cc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 16750948 GJCUWTNNMLFWHK-JXFKEZNVSA-N 393.414 3.965 0 40 GHAB CCN(CC)Cc1ccccc1CNC(=O)c1cc2cccc(OC)c2oc1=O 16783979 MQEBSEJPDRYDJK-UHFFFAOYSA-N 394.471 3.573 0 40 GHAB COc1ccc([C@@H]2CCCCCN2CC(=O)NC(=O)Nc2ccccc2)cc1 8325427 VRDIBDOPFVAGIC-FQEVSTJZSA-N 381.476 3.961 0 40 GHAB Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc2c1CCN(C(C)C)C2 69917986 FGJBHMBDVXKCJN-UHFFFAOYSA-N 393.466 3.734 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(SC[C@H]3CC3(Cl)Cl)nnc12 8747324 RRYFQAKDMASHAB-SNVBAGLBSA-N 383.304 3.740 0 40 GHAB O=C(OCCNc1ncnc2ccccc12)c1ccc(CSC(F)F)o1 72310717 AQLGYOOVSMTXAB-UHFFFAOYSA-N 379.388 3.948 0 40 GHAB COc1ccc(N2CCCC2=O)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 72403130 NVKQWFIRJIHLFU-UHFFFAOYSA-N 396.468 3.776 0 40 GHAB Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O 22273572 YCZOASQMXXLRQS-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB OCC1CCN(c2ncccc2NCc2cc(Br)cs2)CC1 89773231 HRPBFTWWPZFNGN-UHFFFAOYSA-N 382.327 3.726 0 40 GHAB Cc1cc(C(F)(F)F)nn1CC(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28238003 SLGNXCYUOOSZSB-CQSZACIVSA-N 376.382 3.878 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 113941562 LMXYQXPUBPZGFX-CQSZACIVSA-N 380.897 3.750 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccccc1F 20611476 GXQVXSIVWFGFRE-UHFFFAOYSA-N 379.229 3.677 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 409329111 CSASRXZSYJLGLO-ZWOKBUDYSA-N 398.528 3.739 0 40 GHAB COC(=O)c1ccc(/C=C2\SC(=O)N(CNc3ccc(OC)cc3)C2=O)cc1 33619378 ROCZRSXYXGMQJA-BOPFTXTBSA-N 398.440 3.588 0 40 GHAB COC(=O)c1nn(-c2ccccc2Cl)c2c1Cc1cc(OC)c(OC)cc1-2 36354956 BJRNUUQAZPWPNE-UHFFFAOYSA-N 384.819 3.901 0 40 GHAB O=C1C[C@@H](N2CCc3c([nH]c4ccc(Cl)cc34)C2)C(=O)N1c1ccccc1 30904021 HMIAUITZUZRRAK-LJQANCHMSA-N 379.847 3.512 0 40 GHAB COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)c3ccccc3)C2)n[nH]1 72371222 IEHXKTDIXUHMMN-SFHVURJKSA-N 391.471 3.670 0 40 GHAB COCCC(=O)N1CCC[C@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 72352033 MIBJOJHDYKBNJC-KRWDZBQOSA-N 383.492 3.885 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(Cc4cnc(C)nc4)C3)cc2n1 72397141 ZVJZETCGGDMJDI-OAHLLOKOSA-N 390.413 3.535 0 40 GHAB C[C@@H]1CCCN(c2ccc(-c3noc(CN(C)Cc4ccccc4)n3)cn2)C1 65216021 KONQLLBPWQXSFF-QGZVFWFLSA-N 377.492 4.000 0 40 GHAB O=C(Cc1ccncc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72358834 DAMBNNGNXMVOTC-SFHVURJKSA-N 376.435 3.626 0 40 GHAB CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1ccc(F)cc1Cl 71769069 HHDGGNCJNKNVRQ-UHFFFAOYSA-N 391.805 3.624 0 40 GHAB COc1ncccc1C1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1csc2c1CCCC2 72389602 IKAKMQWLEDKZSO-SZLXDWMPSA-N 398.528 3.685 0 40 GHAB COc1cc(NC(=O)COC2CCCCC2)ccc1NC(=O)c1cccnc1 44505363 ZSYADQYKGNJQOZ-UHFFFAOYSA-N 383.448 3.630 0 40 GHAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C 223514931 FSBXNSDWCXGZOL-FQEVSTJZSA-N 396.531 3.750 0 40 GHAB CCOC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 224698780 HTAWRJURLKVVPU-UHFFFAOYSA-N 391.489 3.541 0 40 GHAB CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC[C@@H]2C)n1 225882873 YEMJNTXUBZZGJT-HNNXBMFYSA-N 376.574 3.542 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)CCc1ccccc1Br 48269527 JQHZHUMJQWKKHV-UHFFFAOYSA-N 375.310 3.760 0 40 GHAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224394912 YKSUNPIQXIARRT-PMACEKPBSA-N 396.491 3.846 0 40 GHAB CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224178124 VCRXVLGFYKRFLB-UHFFFAOYSA-N 378.469 3.569 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(N2CCOCC2)c1 41374062 OCOXKNPPYLOTNQ-UHFFFAOYSA-N 381.259 3.848 0 40 GHAB CN(C)[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1cn(C)c2ccccc12 77171673 PMZVMLAYIZSJTG-OAQYLSRUSA-N 379.479 3.768 0 40 GHAB CN(c1ccccc1C(=O)NCC1CCCCC1)S(=O)(=O)c1ccccc1 223865476 RQRQGYJFYPEXGM-UHFFFAOYSA-N 386.517 3.822 0 40 GHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)c(OC)c1 224822995 JADNPEWUPGNKNP-VQTJNVASSA-N 394.500 3.614 0 40 GHAB COc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3ccco3)CC2)cc1 96037070 GDZNDBWYEZFRIM-UHFFFAOYSA-N 392.503 3.588 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607546 UVYDRFYVDKKZDJ-CQSZACIVSA-N 394.393 3.938 0 40 GHAB COCCn1ccc2c(C(=O)Nc3cc(NC(C)=O)ccc3OC)cccc21 96231704 YGOIIIPQLSOAIP-UHFFFAOYSA-N 381.432 3.507 0 40 GHAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)c2c(F)cccc2F)C1 257289435 PYOOYYOZQWVJTP-CQSZACIVSA-N 398.413 3.731 0 40 GHAB COc1cccc(CN2CCCC[C@H]2c2nnc(-c3cccnc3)o2)c1OC 257307219 SXRWKUDNZLPIFQ-KRWDZBQOSA-N 380.448 3.876 0 40 GHAB CC1(C)Oc2cc(O)ccc2[C@H]2OCC3(CCN(Cc4cc[nH]n4)CC3)C[C@@H]21 257274845 NMWMKWRZEGTIRW-AZUAARDMSA-N 383.492 3.646 0 40 GHAB CCC(CC)N1C[C@H](C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)CC1=O 591171183 LIJRMOAMDAXBLD-CQSZACIVSA-N 388.899 3.810 0 40 GHAB C[C@](CO)(NC(=O)[C@H]1CCN(c2ccccc2)C1)c1cccc(C(F)(F)F)c1 616812799 MLOCDGMPWHBRCL-MGPUTAFESA-N 392.421 3.556 0 40 GHAB CC(C)(C(=O)NCc1cc2c(nc1O)CCC2)c1ccccc1Br 684969298 CROGXTYHAJHANJ-UHFFFAOYSA-N 389.293 3.632 0 40 GHAB O=S(=O)(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1ccccc1 96119649 BIKFUNKQYKOXLR-UHFFFAOYSA-N 392.440 3.523 0 40 GHAB Cc1csc(Nc2cc([C@H]3CCN(C(=O)/C=C/c4ccco4)C3)nc(C)n2)n1 585293058 VPCBFWVTBXQPGP-NFAHFFEMSA-N 395.488 3.916 0 40 GHAB Cc1cc(S(=O)(=O)N(Cc2ccco2)c2cccc(F)c2)sc1C(=O)O 55621697 HWGRVMSIJMZERL-UHFFFAOYSA-N 395.433 3.882 0 40 GHAB O=C1C[C@@H]2CCN(Cc3ccccc3Cl)C[C@@H]2CCOc2ncccc2N1 1534646456 LZZMYSXMIOJAPN-HOTGVXAUSA-N 385.895 3.984 0 40 GHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)Cn2cc(Cl)cn2)N1c1cccc(F)c1 1615155111 HXZAMYRSSHFXGV-ROUUACIJSA-N 390.890 3.724 0 40 GHAB COC(=O)c1ccc(/C=C2\SC(=O)N(CNc3cccc(C)c3)C2=O)cc1 1421538 RXZXHRZXUZYBOQ-BOPFTXTBSA-N 382.441 3.888 0 40 GHAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)c3ccccc3)cc2c1 5941233 RPWRAFUYMFCXRP-OAQYLSRUSA-N 390.483 3.966 0 40 GHAB CC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)c1csnn1)C1CCCCC1 5976522 DXNNVXCWEMKIIJ-INIZCTEOSA-N 390.509 3.562 0 40 GHAB O=C(c1ccc(F)cc1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 12142665 QHAKRDAZAMTDCK-UHFFFAOYSA-N 391.446 3.602 0 40 GHAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)on1 13226019 HAQUXMRXDNWONV-GFCCVEGCSA-N 389.506 3.595 0 40 GHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1nc2ccc(C)cc2s1 17079120 QKHHVHVTLQMGJI-UHFFFAOYSA-N 387.486 3.749 0 40 GHAB CCOc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)cc1 17307909 ZMXRREDGZLPNHM-UHFFFAOYSA-N 388.493 3.787 0 40 GHAB Cc1cccc(-c2ocnc2C(=O)Nc2ccc(CN3CCOCC3)cc2)c1 19235287 OUWFXVVEPRBUGO-UHFFFAOYSA-N 377.444 3.735 0 40 GHAB COc1ccc(Br)cc1CN1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 19361797 HZIUADIWXDMZDB-HDMKZQKVSA-N 379.342 3.764 0 40 GHAB C[C@@H](Cn1cc(Cl)cn1)C(=O)N1CCC[C@@H](COc2ccccc2F)C1 19457293 PQDAQLJBQZJWTC-LSDHHAIUSA-N 379.863 3.629 0 40 GHAB C[C@@H]1C[C@H]1C(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 19495785 BYRURXNSASYPEX-RHSMWYFYSA-N 396.466 3.549 0 40 GHAB CCn1ccc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)n1 19525151 VILORXGZQRJZCS-FQEVSTJZSA-N 390.491 3.739 0 40 GHAB CO[C@H](C(=O)Nc1ccnc2c(Cl)cc(Br)cc12)[C@H]1CCOC1 622854788 VICIIEIWYDWQGG-VFZGTOFNSA-N 399.672 3.641 0 40 GHAB O=C(Nc1nnc(C2CCOCC2)s1)NC1(c2c(F)cccc2F)CCC1 626573881 IWNSTNXWQIPLHG-UHFFFAOYSA-N 394.447 3.911 0 40 GHAB CCC(CC)CN1CC(=O)NCCCCCOc2ccc(CCCO)cc2C1 643579774 KACHFQIWZPHQPD-UHFFFAOYSA-N 390.568 3.529 0 40 GHAB Cc1nc(CC(=O)N2Cc3cccc(C)c3NCC[C@H]3CC[C@@H](C2)N3C)cs1 643574191 IJKOXZMOMOUHNO-UXHICEINSA-N 398.576 3.610 0 40 GHAB CO[C@H](CN1CCC(C(=O)Nc2ccccc2Br)CC1)C1CCC1 660060193 VIRCRSRHJMIKOQ-GOSISDBHSA-N 395.341 3.915 0 40 GHAB NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccc(F)cc2)C1 19348463 IHBSXVCDJINCNN-DEOSSOPVSA-N 389.474 3.808 0 40 GHAB COc1ccc(-n2c(C)nnc2-c2cnc(Oc3cccc(C)c3C)cn2)cn1 35076017 CYLJCMVSRQKHMP-UHFFFAOYSA-N 388.431 3.845 0 40 GHAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)cc1 3611463 CGPFODYVUJMIEL-FQEVSTJZSA-N 382.460 3.681 0 40 GHAB O=C(COC(=O)c1cccc(OCc2ccccc2)c1)NCc1ccccc1 4596649 WRSLHMMLJXMAAF-UHFFFAOYSA-N 375.424 3.739 0 40 GHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(Cc2cccc(F)c2)CC1 1889038761 MBINTNJTFXJQKJ-UHFFFAOYSA-N 383.442 3.895 0 40 GHAB CN(C)[C@H](CNC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1 15372768 QUERGVIMAHKORL-LJQANCHMSA-N 377.444 3.565 0 40 GHAB O=C(C1CCCCC1)N1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840419 MGHIZOMHVOQGRM-JOCHJYFZSA-N 388.483 3.521 0 40 GHAB Cc1cccc2sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)nc12 4496262 NWDMSNLVRMGZJM-UHFFFAOYSA-N 378.450 3.546 0 40 GHAB CCOc1ccc(C(=O)N2CCN(c3nc4c(F)cccc4s3)CC2)cc1 4583514 SCEYVZZVKXWNAF-UHFFFAOYSA-N 385.464 3.797 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccc(Cl)cc2)c2ccc(C)cc21 4987950 FEGIWTVCOKWUFZ-OAQYLSRUSA-N 387.863 3.631 0 40 GHAB COc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(C)cc3)n2)c(OC)c1 21657893 DLMUAYMAKYOELQ-UHFFFAOYSA-N 393.443 3.795 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c(C)c1 22732504 MXAAYYBEHMZJBO-INIZCTEOSA-N 392.546 3.937 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1cncc(Br)c1 618256664 VRFATKMBTXPHMG-CYBMUJFWSA-N 393.262 3.629 0 40 GHAB CS(=O)(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccs1 644972 IAQVRVMPXUKHKL-ZDUSSCGKSA-N 385.308 3.621 0 40 GHAB Cc1ccnn1-c1ccc(C(=O)N2CCC(CN3CCC(C)CC3)CC2)cc1 40151086 CSLTZCHPOWBDBF-UHFFFAOYSA-N 380.536 3.765 0 40 GHAB Cc1cc(C)n(Cc2cccc(CNC(=O)c3cc(-c4ccccc4)[nH]n3)c2)n1 40139397 RJODHLIKRZJKRX-UHFFFAOYSA-N 385.471 3.868 0 40 GHAB Cc1cc2oc(=O)cc(COC(=O)c3ccc4c(c3)CCC(=O)N4)c2cc1C 32841137 ZTMJGSXKYAOVHW-UHFFFAOYSA-N 377.396 3.652 0 40 GHAB Cc1ccc(OCCNC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 32999713 CDHFXZMYSSJJEX-UHFFFAOYSA-N 398.528 3.518 0 40 GHAB CCOc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1ccccc1F 807765 WUSNVOXWCRLSLK-CRAIPNDOSA-N 377.437 3.592 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 12390699 HZBDBZWGLQMKKP-INIZCTEOSA-N 384.432 3.683 0 40 GHAB COc1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1OC 3350949 DSKRSTCTZOWKRP-UHFFFAOYSA-N 391.423 3.952 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3608476 UIWDRLHXTULZJY-UHFFFAOYSA-N 396.871 3.906 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 103972905 YLSGMJZIEQVVCE-QRWLVFNGSA-N 386.467 3.857 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1C[C@H]1CCCO1 4860320 DWOUNSFXRQMYNZ-MRXNPFEDSA-N 398.488 3.756 0 40 GHAB CCCOC(=O)c1cc(NC(=O)COC(=O)c2ccc(F)cc2)ccc1Cl 6880536 YNGDHNVBTYZSPE-UHFFFAOYSA-N 393.798 3.841 0 40 GHAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)Nc2cc(Cl)cc(Cl)c2)C1 6884254 MTYQQSZRTNJUBZ-NWDGAFQWSA-N 394.327 3.971 0 40 GHAB COCc1nc(OC)c2c(C)c(C(=O)NCc3ccc(Cl)cc3)sc2n1 7991060 PIYGYBUCWRWYEO-UHFFFAOYSA-N 391.880 3.738 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccccc1 8416139 IPGYAALNTVXWEX-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB CCCOc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1OCC 23132928 CBGZICWPVIFTOY-KRWDZBQOSA-N 376.522 3.968 0 40 GHAB Cc1ncsc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1 100155854 PIONFUHJJFECEP-OKILXGFUSA-N 383.477 3.600 0 40 GHAB COc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cccc(OC)c2OC)C3)cc1 100766776 INIHHFYWYVMQGQ-PMACEKPBSA-N 397.515 3.832 0 40 GHAB COc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cc(OC)cc(OC)c2)C3)cc1 100766766 RUMSCJGFQBWRAG-PMACEKPBSA-N 397.515 3.832 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)N(c2ccccc2)C(C)C)c1 3254578 WLPDNMPSROHVON-JLHYYAGUSA-N 383.444 3.702 0 40 GHAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 72271406 PAQYRNYRYGPSSP-SRCQZFHVSA-N 387.480 3.925 0 40 GHAB COc1ccc(-c2nn(CN3CCN(c4ccccc4)CC3)c(=S)o2)cc1 57380584 VKOXSLVYADKMIX-UHFFFAOYSA-N 382.489 3.661 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C)c2)cc1F 12604694 WGGGRVRALWOGCI-HNNXBMFYSA-N 390.480 3.950 0 40 GHAB O=C(CCN1CCC[C@H]1c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 26913239 NPBSUBGKDHULIY-QFIPXVFZSA-N 381.495 3.702 0 40 GHAB COc1ccc(Cn2nnnc2SCC(=O)c2oc3ccccc3c2C)cc1 10026949 CWIIICHOAGZDJD-UHFFFAOYSA-N 394.456 3.760 0 40 GHAB CCOC(=O)[C@H](c1ccc(F)c(F)c1)N(C)Cc1nnc(-c2ccccc2)o1 58217478 NUUGFUYWRVWTNM-SFHVURJKSA-N 387.386 3.751 0 40 GHAB C[C@@H](NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1 3318950 ALXGMDXYHSRRFQ-QGZVFWFLSA-N 387.435 3.952 0 40 GHAB CSc1nnc(SCc2nnnn2-c2ccc(C(F)(F)F)cc2)s1 48344312 CLRLXKRHUYKIMX-UHFFFAOYSA-N 390.441 3.547 0 40 GHAB Cc1cc(OCC(=O)Nc2nncs2)c(Br)c(C)c1Cl 28232650 WKEFONCTNVOAAD-UHFFFAOYSA-N 376.663 3.588 0 40 GHAB CNC(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 28374703 SOABYNDUEPZBEH-LBPRGKRZSA-N 395.381 3.505 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 28328118 GFZWZSZMGZTTBE-NSHDSACASA-N 387.379 3.532 0 40 GHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc2ccccc12 12822292 IBEJGKXKKRQFPA-HNNXBMFYSA-N 394.496 3.772 0 40 GHAB C[C@H](Sc1nc2scc(C3CC3)c2c(=O)n1C1CCCCC1)C(N)=O 28851366 WTPIEMHBJHWJNW-JTQLQIEISA-N 377.535 3.807 0 40 GHAB O=C(NCCc1ccc2ccccc2c1)NC1CCN(Cc2ccccn2)CC1 45755925 IXMBCDDSMBONAH-UHFFFAOYSA-N 388.515 3.741 0 40 GHAB FC(F)(F)c1ccc(N2CCCN(Cc3nc4ccccc4o3)CC2)nc1 29191777 FTXHDCMRRPEDMW-UHFFFAOYSA-N 376.382 3.954 0 40 GHAB O=C(NCc1cccnc1N1CCOCC1)c1ccc(-c2ccccc2F)s1 29276968 KQYATQLQGUYTFA-UHFFFAOYSA-N 397.475 3.716 0 40 GHAB Cc1ccc(-n2c(S[C@H]3CCOC3=O)nc3cc(Cl)ccc3c2=O)cc1 2619823 KZFOCIDFXYEGLJ-INIZCTEOSA-N 386.860 3.755 0 40 GHAB CCc1cccc(N2C[C@@H](C(=O)NCc3nc4ccccc4s3)CC2=O)c1 13019177 URYFVEXJWVAMMQ-HNNXBMFYSA-N 379.485 3.528 0 40 GHAB O=C(CSc1nc2ncccc2[nH]1)Nc1c(F)cc(F)cc1Br 13205712 YGKIRHFLINNFBI-UHFFFAOYSA-N 399.220 3.729 0 40 GHAB COc1cccc(-c2noc(CSc3nc(-c4ccccc4)cn3N)n2)c1 4251769 QZLWHOFJIFPLSV-UHFFFAOYSA-N 379.445 3.615 0 40 GHAB Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCCO3)c2ccccc2n1 4221227 KLMAXYIYHYPFTH-UHFFFAOYSA-N 381.457 3.830 0 40 GHAB CC(=O)Nc1cc(C(=O)O[C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1F 95468927 HDJRRJKUABLNOA-KXBFYZLASA-N 384.451 3.852 0 40 GHAB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2)no1 5271136 XZARDMZBVZIRET-GOSISDBHSA-N 376.343 3.978 0 40 GHAB Cc1ccc(C)c(C(=O)C[C@@]2(O)C(=O)N(CN3CCCCC3)c3ccccc32)c1 5388712 RGUPEHFTEPHMNK-DEOSSOPVSA-N 392.499 3.554 0 40 GHAB CCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2F)nnc1-c1ccco1 4516223 VPLMEZREWTUYFF-LLVKDONJSA-N 392.431 3.806 0 40 GHAB CCCCn1nnnc1COC(=O)c1c(-c2c(F)cccc2Cl)noc1C 6842186 MGFZRFYLIAPIQP-UHFFFAOYSA-N 393.806 3.586 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(C)cc1)S2 6812094 SGEKFHNVZUHPPW-MSOLQXFVSA-N 397.479 3.686 0 40 GHAB CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NC)o2)cc1 7002841 NITYPCUEHYJXGR-UHFFFAOYSA-N 376.409 3.754 0 40 GHAB CCCn1c(NC(=O)c2c(Br)cnn2CC)nc2ccccc21 28234863 UUBOARQRSKPJSV-UHFFFAOYSA-N 376.258 3.678 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N[C@@H](c1ccc(F)cc1)c1cccs1 7291381 AUNXCGAPVXWDIY-IBGZPJMESA-N 382.416 3.701 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1 15609909 YXCBPQZGUPEKAM-UHFFFAOYSA-N 376.460 3.666 0 40 GHAB O=S(=O)(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccccc1 20610907 MHYVROWZSJYSDY-UHFFFAOYSA-N 384.848 3.875 0 40 GHAB CCCN(CCC)C(=O)Cn1c([C@@H]2CCCN2C(=O)CC)nc2ccccc21 15922123 SLVMOJMICBWYFX-IBGZPJMESA-N 384.524 3.758 0 40 GHAB CC(=O)c1cccc(NC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)c1 9547191 KNXWXBIVEYCUBT-UHFFFAOYSA-N 379.412 3.889 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)N[C@H](c1ccc(F)cc1)c1cccs1 9690375 CZRRUSYARSKKHS-HXUWFJFHSA-N 393.443 3.503 0 40 GHAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 83969979 RCAQUYUHBJWHCI-DNVFCKCGSA-N 382.548 3.981 0 40 GHAB Fc1cc(Br)ccc1Oc1ccc2nnc(C(F)(F)F)n2n1 9726402 DZKXPKUSFRGARN-UHFFFAOYSA-N 377.095 3.837 0 40 GHAB CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(O)c(OC)c2)CC1 9849632 ZRVVXOQDWGVTHI-UHFFFAOYSA-N 382.504 3.662 0 40 GHAB COc1cccc(NC(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 95462295 FONSRGUCEPRAGB-WMLDXEAASA-N 377.485 3.995 0 40 GHAB COCCN(C)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)nc1 95966955 ADFQMWOAHFDCJH-UHFFFAOYSA-N 399.422 3.728 0 40 GHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccco3)C2=O)cc1 409106528 MMYOXIVZCVMHIZ-GOBGXLLKSA-N 398.440 3.910 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cc(-c2cc3ccccc3o2)on1 38754573 ZHAXFHKTKJBSFI-YEJXKQKISA-N 390.395 3.933 0 40 GHAB COCCn1ccc2cc(C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)ccc21 524732433 CXALIODRQFOQIU-IBGZPJMESA-N 394.471 3.722 0 40 GHAB COCCOc1c(Cl)cc(NC(=O)N[C@@]23C[C@H]2COC3(C)C)cc1Cl 529044812 NCKWOZMKSHQWKR-BTDLBPIBSA-N 389.279 3.708 0 40 GHAB Cc1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)s1 38830345 NVUIXTFZSLONPO-UHFFFAOYSA-N 384.299 3.924 0 40 GHAB COCCCNc1nc2sc(C)c(C)c2c2nc(Cc3ccccc3)nn12 32105937 ZDYVIRGCHGQBDL-UHFFFAOYSA-N 381.505 3.995 0 40 GHAB COc1cccc(NC(=O)[C@@H](C)OC(=O)c2oc3ccc(OC)cc3c2C)c1 32910481 SBFBVCMULDYNJX-CYBMUJFWSA-N 383.400 3.942 0 40 GHAB FC(F)(F)c1ccc(Cn2nc(Br)nc2Br)cc1 71978800 GGXQFENROUJSCU-UHFFFAOYSA-N 384.981 3.870 0 40 GHAB COc1ccc([C@@H]2CC(=O)N(c3ccc(OC)cc3)c3c2sc(=O)n3C)cc1 66089686 WVKGOQXBVINSAH-KRWDZBQOSA-N 396.468 3.664 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 42646026 MWLDIFWHXZODRC-UHFFFAOYSA-N 376.243 3.772 0 40 GHAB Cc1ccc(C(=O)NCCc2ccc(F)cc2)c(I)c1 225029662 CIWSYINOKQLIPX-UHFFFAOYSA-N 383.204 3.711 0 40 GHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 223170040 KXFSYBLMSHXQEJ-NRFANRHFSA-N 396.531 3.960 0 40 GHAB Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225973417 CUOCLJUUSPZTAI-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C 223853259 MMEQALRGKXDVKF-UXHICEINSA-N 378.501 3.920 0 40 GHAB O=S(=O)(NCc1ccc(OCc2ccc(F)cc2)cc1)c1cccs1 223703965 PYWCWEXZRMEPSK-UHFFFAOYSA-N 377.462 3.945 0 40 GHAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N1CCN(c2ccccc2F)CC1 222584345 RPYPOAZOGINBGU-UHFFFAOYSA-N 394.425 3.693 0 40 GHAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC)cc1 223495674 IUHGHRNIAKWKOU-QFIPXVFZSA-N 380.532 3.778 0 40 GHAB Cc1noc([C@H]2CCCN(Cc3c(C(=O)O)sc4cccc(F)c34)C2)n1 577957887 LLXGQMOWEOHWLI-NSHDSACASA-N 375.425 3.810 0 40 GHAB CC(C)NCCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 581248617 LANKQJCXXLCPOR-UHFFFAOYSA-N 382.327 3.823 0 40 GHAB Cc1cccc(NC(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3ccc4c(c3)OCO4)C2)c1 96075120 RNXHWZGMMBBFAE-JTSKRJEESA-N 393.443 3.606 0 40 GHAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccc(-c2scnc2C)nc1 257250938 JOQKSPUJOWRQBM-RXVVDRJESA-N 398.532 3.519 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@H](C)Cn3nc(C)nc3C)[C@@H]3CCCC[C@H]32)cc1 257323667 WLHWAEMDYALJLU-NYIIQSBFSA-N 396.535 3.628 0 40 GHAB CN(C)[C@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1ccco1 24768874 XBHZXWFUKZMJDZ-QGZVFWFLSA-N 387.480 3.588 0 40 GHAB Cc1nc(C(=O)N2CCC(c3cncc(Oc4cccc(F)c4)n3)CC2)co1 257341565 ZKXHJPFZSNMVMK-UHFFFAOYSA-N 382.395 3.724 0 40 GHAB O=C(NCC1(c2c(F)cccc2F)CCC1)N1CC[C@@H](Oc2ccncc2)C1 1636192486 IWMSYTYOEAIXHZ-MRXNPFEDSA-N 387.430 3.644 0 40 GHAB Cc1nc(C(F)(F)F)ccc1C(=O)N1[C@H](C(=O)O)CC[C@H]1c1ccccc1 621586451 BGBIUIMAHCGDAN-GJZGRUSLSA-N 378.350 3.839 0 40 GHAB COc1cc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O 25052405 JCZLMCOJQPZIGL-XVNBXDOJSA-N 395.242 3.518 0 40 GHAB CC(=O)Nc1ccc(CN2CCC(O)(COc3cccc(Cl)c3)CC2)cc1 585270451 KOBKBWPRQFRSSC-UHFFFAOYSA-N 388.895 3.704 0 40 GHAB CN1CCC[C@@H](CNC(=O)/C=C/c2ccc(C(=O)O)cc2)[C@@H]1c1ccccc1 685940317 DMGHCBGVEVLRBR-NJFGXWQRSA-N 378.472 3.597 0 40 GHAB COc1ccccc1CC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 43780529 IASDYHBDFBPKQS-HXUWFJFHSA-N 375.472 3.676 0 40 GHAB CC(C)[C@@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)N(C)C 58143993 CLJHKIPYLFQIBU-PKOBYXMFSA-N 387.549 3.934 0 40 GHAB CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 5674489 MTVHACJAVZAPLB-SFHVURJKSA-N 386.517 3.597 0 40 GHAB Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)c3cnn(C(C)C)c3)CC2)on1 12118357 YFEZGULJPKZCCN-UHFFFAOYSA-N 394.479 3.546 0 40 GHAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2cscn2)cc1 12145597 UKJKPZQBZPQMCE-INIZCTEOSA-N 382.489 3.781 0 40 GHAB COC(=O)CNC(=O)C1(Cc2ccccc2-c2ccc(C)cc2C)CCOCC1 12231593 VTNNPQQSXHEFGI-UHFFFAOYSA-N 395.499 3.599 0 40 GHAB O=C(c1cc2ccccc2o1)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 12406851 VQXOZCJLLMERNE-ZDUSSCGKSA-N 397.385 3.828 0 40 GHAB CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccc(F)cc3)n2)cc1 13495036 IGEKMVCDZLSLIC-UHFFFAOYSA-N 389.452 3.652 0 40 GHAB Cc1ccc(C)c(N2CCN(c3cc(C)nc4nc(-c5ccco5)nn34)CC2)c1 15780275 RIFMBIDFLIKKRN-UHFFFAOYSA-N 388.475 3.636 0 40 GHAB CCNS(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1OC 16681812 AQYVMPBEJGRRJQ-UHFFFAOYSA-N 390.505 3.678 0 40 GHAB Cc1ccc2ncnc(NCCC(=O)N[C@@H](C)c3ccc4c(c3)CCCO4)c2c1 19220687 TZIPTXVTDOKFAD-INIZCTEOSA-N 390.487 3.943 0 40 GHAB CN(Cc1cc(C2CCNCC2)nn1C)C(=O)c1ccccc1-c1ccccc1 19710202 OCXHRSAGHVLNAQ-UHFFFAOYSA-N 388.515 3.826 0 40 GHAB CCn1cnc2sc(C(=O)N3CCC[C@H]3c3ccc(OC)cc3)c(C)c2c1=O 19717358 ADTIHBIOFKCONB-INIZCTEOSA-N 397.500 3.772 0 40 GHAB CCn1ncc(-c2cc(C(=O)Nc3cc(-c4csnn4)ccc3C)on2)c1C 19719084 SNVISENYIUVRMT-UHFFFAOYSA-N 394.460 3.946 0 40 GHAB Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)nc1 2565155 PYBURELULVQJHQ-UHFFFAOYSA-N 394.287 3.915 0 40 GHAB C[C@@H](C(=O)Nc1ccc(CCC2CCN(C)CC2)cc1)n1nnc2ccccc21 19080533 JGAAHNSWKGELMF-KRWDZBQOSA-N 391.519 3.905 0 40 GHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 11199876 KLXQUDWMFCGORZ-UHFFFAOYSA-N 387.399 3.673 0 40 GHAB Cc1nc(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)n(C2CCCC2)c1C 7178868 GWICNIPRVXQUIO-LBPRGKRZSA-N 392.550 3.895 0 40 GHAB Cc1cc(Br)ccc1NC(=O)c1cc(C2CCOCC2)ncn1 1888854709 UAOMNYRXLZXODZ-UHFFFAOYSA-N 376.254 3.694 0 40 GHAB CCOc1ccc(CN2CCN(C)C[C@H](Cc3ccnc4cccnc34)C2)cc1 2037838338 DWZFETNLHIZHHU-FQEVSTJZSA-N 390.531 3.635 0 40 GHAB O=C(Nc1ccccc1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 794006 NEXUYQNJBDUCLW-GOSISDBHSA-N 398.509 3.502 0 40 GHAB CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(C)s3)cc21 9170677 FHUZNCCPHBGTEY-UHFFFAOYSA-N 394.518 3.629 0 40 GHAB COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)c3ccno3)nc12 10254142 TVFNFKUQXKUMJG-UHFFFAOYSA-N 396.428 3.544 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1775976268 XTDXQINLIYPNHU-GJZGRUSLSA-N 383.876 3.541 0 40 GHAB CSCCn1/c(=N/C(=O)c2cccs2)sc2cc3c(cc21)OCO3 101119456 QSNJXZYGIIQFLG-MSUUIHNZSA-N 378.500 3.597 0 40 GHAB Cc1cc2ccccc2n1CCNC(=O)c1ccc(O[C@@H]2CCSC2)nc1 225717665 DNLWOLLTJGSNHG-GOSISDBHSA-N 381.501 3.659 0 40 GHAB O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)c(C(=O)O)c1 6883403 OFUIHAKRPRDQLH-UHFFFAOYSA-N 399.255 3.584 0 40 GHAB Cc1cccc(-n2ccnc2SCc2ccc(S(=O)(=O)N(C)C)o2)c1C 40116090 ZLOBXFSXLXQQHI-UHFFFAOYSA-N 391.518 3.625 0 40 GHAB CCOC(=O)Cn1c(CCCCCNC(=O)c2cccs2)nc2ccccc21 40223886 CLOFQUVDOQNAJR-UHFFFAOYSA-N 399.516 3.804 0 40 GHAB CC[C@@H]1CN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)CCO1 30859034 PLWWMEPLVQDPDT-CQSZACIVSA-N 382.291 3.798 0 40 GHAB CCCS(=O)(=O)[C@H](C)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 50498910 UKXAPPKZJWTMGL-LLVKDONJSA-N 380.337 3.601 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1 31834607 HCIJQPWOYQLPEC-UHFFFAOYSA-N 377.444 3.780 0 40 GHAB C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CC1(Cl)Cl 31960063 CXPOWOGORBNBLS-HNNXBMFYSA-N 376.305 3.925 0 40 GHAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N[C@@H]1C[C@H]2CC[C@H]1C2 101323257 VBGSDXCUDCUKCY-SLEUVZQESA-N 393.896 3.699 0 40 GHAB CC(=O)c1cccc(NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 32718882 TYBLLJUDJJHIRJ-HXUWFJFHSA-N 394.471 3.826 0 40 GHAB COc1ccc(CCNC(=O)Cn2ccc3cc(Br)ccc32)cc1 41128019 UUBZKFXXWJDEPP-UHFFFAOYSA-N 387.277 3.771 0 40 GHAB O=C(NCCSCc1ccccc1)c1cccc(NC(=O)c2cccnc2)c1 32827303 FQLOGSNMLQNKFS-UHFFFAOYSA-N 391.496 3.997 0 40 GHAB O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 32819507 NBRXREUCAJYUHS-KRWDZBQOSA-N 391.423 3.932 0 40 GHAB COC(=O)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)CC1 32905371 NTXBBDACCIDALN-UHFFFAOYSA-N 379.456 3.560 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)o2)c(OC)c1 929428 SNFXEPGNHDLZKG-STQMWFEESA-N 391.493 3.635 0 40 GHAB CCN(CC)c1ccc(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 939549 RMFMRZWYKZFVIP-HXUWFJFHSA-N 393.487 3.792 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2ccccn2)n1-c1cc(C)ccc1C 1362495 IZEMJIPHQHFUFG-UHFFFAOYSA-N 395.532 3.907 0 40 GHAB CCN1C(=O)/C(=C/c2ccccc2I)SC1=S 1601320 OTTJTHDZAGKDHG-YFHOEESVSA-N 375.256 3.512 0 40 GHAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(F)cc1F 2195930 ZMWOPQNNQBPKKD-UHFFFAOYSA-N 394.472 3.959 0 40 GHAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N2CCCc3ccccc32)n1C 2622920 XLNWJVMPUWMCOH-CQSZACIVSA-N 382.489 3.844 0 40 GHAB O=S(=O)(c1ccccc1)N1CCN=C1SCc1c(F)cccc1Cl 2711561 CUARRNZIJIWSSN-UHFFFAOYSA-N 384.885 3.773 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(Br)cc1 2911435 FWLHPZAPYPLVRW-UHFFFAOYSA-N 391.250 3.625 0 40 GHAB CCCCNC(=O)CSc1nc2ccccc2c2nc(-c3ccccc3)nn12 2969016 UZJZTMRLPPHTOP-UHFFFAOYSA-N 391.500 3.953 0 40 GHAB CCc1ccc(-c2csc(NC(=O)c3nc4nc(C)cc(C)n4n3)n2)cc1 3341148 XUIMAGMYJPYZLW-UHFFFAOYSA-N 378.461 3.679 0 40 GHAB C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nncs1)c1ccccc1 3416152 WZYHPYDWFHPBFE-ZDUSSCGKSA-N 398.513 3.760 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1Cl 3419063 FZHGPMRDBQHCLI-HXUWFJFHSA-N 397.906 3.994 0 40 GHAB CC(=O)Nc1ccc(OCC(=O)Nc2ccc(C)cc2Br)cc1 3488938 RPZIIOUFRUYZRI-UHFFFAOYSA-N 377.238 3.733 0 40 GHAB COC(=O)c1ccc2c(=O)n3nc(Nc4ccc(C(C)C)cc4)sc3nc2c1 4193513 UPPBBZYRKKOECH-UHFFFAOYSA-N 394.456 3.958 0 40 GHAB COc1ccc(OCCCC(=O)O[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 4242946 DTZUIWHTGYEYTH-INIZCTEOSA-N 399.443 3.627 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 4251162 UZIQVWTUGQIXCT-UHFFFAOYSA-N 391.452 3.886 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccc(Cl)cc1 4326999 XXCALKNAWFREFC-UHFFFAOYSA-N 396.863 3.571 0 40 GHAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(OC)cc1 4371787 ZSFVBQGJOUMHKG-UHFFFAOYSA-N 391.470 3.887 0 40 GHAB Cc1ccc(N2C(=O)N(c3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1C 4393429 LSUZKQQZEAXSQJ-ZWKOTPCHSA-N 390.892 3.569 0 40 GHAB CCc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1CCOC 4861099 GPRMCOCLFRDGQC-UHFFFAOYSA-N 376.526 3.650 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 4898419 SRKIPLVUEILUTQ-MRXNPFEDSA-N 382.460 3.864 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)c1C 4976638 AIZGMMGQSIEGSB-UHFFFAOYSA-N 381.436 3.993 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(C)c2)nc2c([nH]c3ccccc32)c1=O 5106469 LFQWBTIRITXTMW-UHFFFAOYSA-N 392.484 3.937 0 40 GHAB COc1cc(CN(C)[C@@H](C)C(=O)N2CCc3ccccc32)ccc1OC(F)F 5118859 HTVKEVYFMQBVQC-AWEZNQCLSA-N 390.430 3.706 0 40 GHAB COc1cccc(OC)c1C(=O)O[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 5355958 KDCIPFCQMVQBPT-SNVBAGLBSA-N 388.445 3.537 0 40 GHAB CN(Cc1ccc(Cl)cc1)C(=O)CSc1nncn1-c1ccccc1F 6129413 JTANDZATAZEXME-UHFFFAOYSA-N 390.871 3.811 0 40 GHAB CCN(c1ccc(NC(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1)C(C)C 6418156 XVKKTCYMTVXCMI-UHFFFAOYSA-N 399.491 3.864 0 40 GHAB COC(=O)CCn1c(C)cc(C(=O)COc2ccccc2Br)c1C 6510458 NLDIMVPLBAVJNT-UHFFFAOYSA-N 394.265 3.692 0 40 GHAB CCCC[C@H](CC)CNC(=O)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 6629176 KECYSRCOPMAKSC-SFHVURJKSA-N 391.531 3.587 0 40 GHAB Cc1nnc(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)O)[nH]1 6866822 PVBSSLNASKOVHP-NVNXTCNLSA-N 386.389 3.808 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 7406809 VNRSPXKKYKQNBZ-SFHVURJKSA-N 392.908 3.830 0 40 GHAB Cc1sc2nc(/C(=C\c3ccsc3)C(=O)N3CCCC3)[nH]c(=O)c2c1C 7502994 USJUQNCXOYDEEA-NTEUORMPSA-N 385.514 3.826 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)c2ccccc2OCC)cc1OCC 7509035 ADXZNUHCNMQDQH-UHFFFAOYSA-N 387.432 3.678 0 40 GHAB CCN1CCN(c2nc3ccc(OC(=O)c4ccc(F)cc4)cc3s2)CC1 7512570 RBAMEBTZJAAKPK-UHFFFAOYSA-N 385.464 3.797 0 40 GHAB NC(=O)CSc1ccccc1NC(=O)CSc1ccc(F)c(Cl)c1 7539023 CGYSBRXZRMTECB-UHFFFAOYSA-N 384.885 3.787 0 40 GHAB CC(C)c1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)cc1 7797672 GCTTVLKAXWIYLX-IBGZPJMESA-N 393.516 3.898 0 40 GHAB O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1nc(-c2ccccc2)cs1 8017064 KFICZHNMJDEXTG-UHFFFAOYSA-N 398.513 3.503 0 40 GHAB Cc1ccccc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8290516 LOOCUFPGPZESNE-UHFFFAOYSA-N 390.530 3.510 0 40 GHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Oc1ccc(Cl)c2ccccc12 8312934 ZEHWDCTYIWQWED-UHFFFAOYSA-N 386.835 3.653 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)c1cc(Cl)c2c(c1)OCCO2 8389171 LNFWNQVBNZAWSG-UHFFFAOYSA-N 386.879 3.637 0 40 GHAB CC(=O)c1cccc(N2C(=O)c3ccc(C(=O)N4CCCCCC4)cc3C2=O)c1 8471687 AKWXQBPBFIXKOU-UHFFFAOYSA-N 390.439 3.706 0 40 GHAB COc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccc(F)cc1 8535047 DTXSGTKVGOTQFY-GFCCVEGCSA-N 398.272 3.646 0 40 GHAB CC(=O)c1ccc(OC[C@H](O)CN2CCC(c3c[nH]c4ccccc34)CC2)cc1 8726786 UAAJDJRCRCVQTA-HXUWFJFHSA-N 392.499 3.990 0 40 GHAB NC(=O)[C@H]1Cc2ccccc2CN1c1nc(-c2ccccc2)nc2ccccc12 8728471 ITVXAOHHANAKFT-OAQYLSRUSA-N 380.451 3.713 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 8745958 OVIDBUGUPRAYNE-XCLFUZPHSA-N 386.883 3.835 0 40 GHAB CCOc1ccc(C(=O)O[C@@H](C(=O)OC)c2ccc(F)cc2)cc1OCC 9516459 WNXYDEQJCXEGOX-GOSISDBHSA-N 376.380 3.694 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 9691365 KQZAZJDMXSSRGK-NSHDSACASA-N 386.395 3.703 0 40 GHAB CC(C)NC(=O)c1cccc2c1CCCN2Cc1nc(-c2ccccc2)no1 10133173 RPDXXRGGBPVDIK-UHFFFAOYSA-N 376.460 3.828 0 40 GHAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccccc1Br)c1cccs1 10139908 AZSDDDBHYGNQBJ-XHDPSFHLSA-N 395.322 3.955 0 40 GHAB Cc1nn(C)c(C)c1-c1cc(C(=O)NC2(c3ccccc3F)CCCC2)[nH]n1 12147269 KXLBIRVNYRAOEN-UHFFFAOYSA-N 381.455 3.765 0 40 GHAB CCCSc1ncc(CN2CCC[C@](O)(c3ccc(F)cc3)CC2)cn1 12188851 NVIOQLZSLBHJTG-HXUWFJFHSA-N 375.513 3.992 0 40 GHAB CCC[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCCC2)c1ccc2c(c1)OCCO2 12205418 TTYIHHWWKBEAKF-GOSISDBHSA-N 396.487 3.686 0 40 GHAB Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)[C@@H]2CC=CCC2)cn1 12223161 SNYNVUIEBDGGCJ-QGZVFWFLSA-N 391.475 3.689 0 40 GHAB CC(C)Cc1csc2nc(SCC(=O)NCc3ccccc3)nc(N)c12 12324237 QVXMNHMSZSFUAD-UHFFFAOYSA-N 386.546 3.881 0 40 GHAB COc1ccc(NC(=O)[C@H](NC(=O)Cc2cccc3ccccc23)C(C)C)cn1 12554537 SVHWXAPCJAEFFI-JOCHJYFZSA-N 391.471 3.565 0 40 GHAB Cc1ccccc1-n1c(C)nn(CN2CCN(c3ccccc3F)CC2)c1=S 12565367 OWLZXIFOOZWUNG-UHFFFAOYSA-N 397.523 3.939 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 12748460 FEMRYYKVSRZCDH-HNNXBMFYSA-N 391.471 3.869 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1C 12755307 GBUVVGNAGOHWOE-UHFFFAOYSA-N 380.488 3.980 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1nc(-c2ccccc2Cl)cs1 12778602 YJADENKOLPMBBG-UHFFFAOYSA-N 396.859 3.812 0 40 GHAB COC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 12928369 NSRNFALUHYXPOT-UHFFFAOYSA-N 378.432 3.929 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccs1)OCc1ccccc1 12932212 KBIRBVUADWEGQU-FQEVSTJZSA-N 394.496 3.902 0 40 GHAB COCCCN(Cc1cc(=O)[nH]c2ccccc12)C(=S)Nc1cccc(F)c1 13691120 ZOFGPCZEBVNZDC-UHFFFAOYSA-N 399.491 3.903 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1F)N(c1cccc(Cl)c1)S(C)(=O)=O 13712217 YCZULLWXKVYVAI-INIZCTEOSA-N 384.860 3.662 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)C3CC3)CC2)c1 14020682 VOLQDLIZQNQIRB-JOCHJYFZSA-N 391.515 3.537 0 40 GHAB Fc1ccc(-c2nc(C3CC3)ncc2-c2nnnn2-c2ccccc2)c(F)c1 16523915 HXBVHHMRINNPRC-UHFFFAOYSA-N 376.370 3.942 0 40 GHAB O=C(COc1cccc2ccc(N3CCCC3)nc12)Nc1ccc2c(c1)OCO2 17170628 IUJNOBSGZUTZNZ-UHFFFAOYSA-N 391.427 3.581 0 40 GHAB COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)c1 18247073 JFSNPZXTRNNBIJ-KDURUIRLSA-N 379.412 3.594 0 40 GHAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 19117732 IEZWPLZAAFWZLQ-INIZCTEOSA-N 378.501 3.857 0 40 GHAB Cc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)C2CCCC2)cn1 19214979 UASLFBAOJGKQBJ-UHFFFAOYSA-N 375.476 3.622 0 40 GHAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccnc2)C1)c1cccs1 19400743 BMSUIFSKDWZQQA-WIYYLYMNSA-N 392.528 3.921 0 40 GHAB CC(C)c1nc2cc(NC(=O)c3ccccc3OCCN(C)C)ccc2n1C 19453821 NCKRYQRSQKAQQE-UHFFFAOYSA-N 380.492 3.889 0 40 GHAB C[C@@H]1CN(c2ncc(-c3ccc(Cl)cc3)c(-c3nccn3C)n2)C[C@@H](C)O1 19497629 LWMANNHOVDLQSV-ZIAGYGMSSA-N 383.883 3.811 0 40 GHAB CN1Cc2ccccc2OC2(CCC(N(C)C(=O)Cc3ccccc3)CC2)C1 19590855 TUXKCMYCDUBYQE-UHFFFAOYSA-N 378.516 3.893 0 40 GHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CCC2)C1 19591382 OCBOLZOKCURYIW-XMMPIXPASA-N 376.500 3.661 0 40 GHAB Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)nc2c1CCCN2C 19707185 NXJUPJREBUBACL-LJQANCHMSA-N 378.520 3.506 0 40 GHAB Cc1nccn1CCC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C 19712966 ZSFNCPCRCUFLDK-ZLNRFVROSA-N 394.563 3.668 0 40 GHAB O=C(Cn1nc(-c2ccccc2)c2c(c1=O)CCCC2)Nc1ccc(F)cc1F 20095772 QYHODOQSGQVLIU-UHFFFAOYSA-N 395.409 3.706 0 40 GHAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccco3)N3CCOCC3)oc2c1 20649977 YZUHDNTYPICAHT-QGZVFWFLSA-N 382.460 3.754 0 40 GHAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)c1cccc(C(F)(F)F)c1 20950340 MCXVZIOYBPJROQ-INIZCTEOSA-N 384.423 3.570 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CCc2ccc3ccccc3n2)c1 21432006 JQKZLJIRQRMRAO-INIZCTEOSA-N 390.439 3.940 0 40 GHAB COc1ccc(CC(=O)N(C)Cc2ccc(Br)s2)cc1OC 23637679 JBZIRUYRWIEXLP-UHFFFAOYSA-N 384.295 3.729 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1Br 24832256 LRNOADINTBXMPO-UHFFFAOYSA-N 391.265 3.987 0 40 GHAB CCN(Cc1nonc1C)C(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1 28235559 IRMSXGZQPMSNKW-UHFFFAOYSA-N 387.871 3.555 0 40 GHAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(OCc2ccccc2)cc1 28464414 DMFCDJXMMSBHLH-FQEVSTJZSA-N 396.512 3.964 0 40 GHAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(N2CCOCC2)cn1 30728084 CSEKPBCPDPOBJX-UHFFFAOYSA-N 394.500 3.526 0 40 GHAB O=C(COC(=O)c1csc(-c2ccsc2)n1)Nc1cc(F)ccc1F 32776543 YODWNJCRCCMRGQ-UHFFFAOYSA-N 380.397 3.945 0 40 GHAB CCN(C(=O)[C@H](C)S(=O)(=O)Cc1cc(Cl)ccc1OC)c1ccccc1 32929850 WILSJAIURLEZKQ-AWEZNQCLSA-N 395.908 3.705 0 40 GHAB CSc1nc2n(n1)[C@@H](c1cccs1)[C@H](C(=O)Nc1ccccc1)[C@@H](C)N2 36701749 YGZONMMUUAUSDW-DFBGVHRSSA-N 385.518 3.720 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2C)cc1 39970996 FCQCSWLOKHJXQZ-UHFFFAOYSA-N 395.525 3.974 0 40 GHAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccccc1N1CCCCCC1 40051086 LDBFXWNNMVEKCS-HXUWFJFHSA-N 379.460 3.795 0 40 GHAB O=C(NCCOc1cccc(Cl)c1)C1CCN(c2nc3ccccc3o2)CC1 40113483 ALYYUJGBCYJODE-UHFFFAOYSA-N 399.878 3.893 0 40 GHAB COc1cccc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)c1 46058062 LITOPIPMCYXDKF-UHFFFAOYSA-N 390.486 3.558 0 40 GHAB Cc1ccccc1NC(=O)Cn1c(=O)nc(N2CCC(C)CC2)c2ccccc21 49004254 BANWRESTLIYNLJ-UHFFFAOYSA-N 390.487 3.580 0 40 GHAB C[C@H](Sc1nncs1)C(=O)/N=c1\[nH]c2ccccc2n1C1CCCCC1 55423251 HERGBAMFRMUTFQ-LBPRGKRZSA-N 387.534 3.934 0 40 GHAB CN1CCC(C(=O)N2CCC[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)CC1 72359210 LBUHBBZFLJOZAO-GOSISDBHSA-N 398.938 3.845 0 40 GHAB CC(C)c1nccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccccc2)n1 72378440 JOMFVRIFAWQXSB-IBGZPJMESA-N 375.476 3.692 0 40 GHAB CCOc1ccccc1C(=O)NC1(c2nc(-c3cnccn3)no2)CCCCC1 77197503 PXAMSHABRIYBOP-UHFFFAOYSA-N 393.447 3.515 0 40 GHAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)C1 95350125 DGNGMZCVAFSFNH-KRWDZBQOSA-N 398.484 3.710 0 40 GHAB Cc1cnc([C@@H](C)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)o1 95458198 JTYLGRGAFTWYAT-OLZOCXBDSA-N 393.285 3.552 0 40 GHAB O=C1CCCN1C[C@@H]1CCCCN1Cc1csc(COc2ccccc2)n1 95957588 ULDOYWOQAKFYQR-SFHVURJKSA-N 385.533 3.699 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3cccn3C)CC2)c2ccccc21 96079444 BKNHMUJSHAWXJE-SFHVURJKSA-N 393.531 3.601 0 40 GHAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1ccco1)n2S(C)(=O)=O 96146387 IKJFMFPKNVARST-UHFFFAOYSA-N 399.472 3.508 0 40 GHAB O=C(c1ccc2ncccc2c1)N1CCC2(CC1)C[C@H](Nc1nccs1)CO2 96224778 QPIXQIUEVFMSJZ-KRWDZBQOSA-N 394.500 3.567 0 40 GHAB COc1cc2c(cc1CN1C[C@@H]3CCC[C@@H](C1)C3(O)c1ccccn1)CCC2 100149066 MYARDDFBXYNEKE-SFTDATJTSA-N 378.516 3.699 0 40 GHAB O=C(c1ccc(Cl)cc1)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101323119 HFSZEMJMVNSPBC-IAGOWNOFSA-N 389.904 3.950 0 40 GHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCC(=O)NCc1cccc(Br)c1 103140235 SDVLUQRCQQGHKQ-JKIFEVAISA-N 395.341 3.786 0 40 GHAB CCc1ccc(N(CCCC(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1 222638482 ZIGKWUZBTOXLHD-KRWDZBQOSA-N 388.533 3.673 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc3ccccc23)ccc1C 223897049 VGHHLPAAWSARHZ-UHFFFAOYSA-N 383.469 3.756 0 40 GHAB COc1ccc(/C=C/C(=O)NCCOc2cc(C)ccc2C)c(OC)c1OC 223981680 JEXUMYXVELOEHQ-PKNBQFBNSA-N 385.460 3.538 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2I)c1 225022369 DOCMAGKEGQMRDX-UHFFFAOYSA-N 394.212 3.810 0 40 GHAB COc1ccc([C@@]2(C)NC(=S)N(c3ccc(Br)cc3)N2)cc1 225346322 BNADJXIEIMENDQ-INIZCTEOSA-N 378.295 3.530 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=S)NCCOc2ccc(C)cc2)c1 225562599 MSZMLJZTQYSLGQ-UHFFFAOYSA-N 378.881 3.800 0 40 GHAB O=C(NCc1ccnc(-c2ccsc2)c1)c1ccc(N2CCOCC2)cc1 225757126 JKUFVKHPVBVIOB-UHFFFAOYSA-N 379.485 3.577 0 40 GHAB O=C(O)c1nn(-c2cccc(C(F)(F)F)c2)nc1N1CCc2ccccc2C1 256047777 OQZYAKSFKCPXAZ-UHFFFAOYSA-N 388.349 3.547 0 40 GHAB Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnccn4)o3)CC2)cc1 257337159 YRRFCUHULSLVSR-JCNLHEQBSA-N 377.448 3.539 0 40 GHAB CN1CCN(Cc2ccco2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 306128498 HCGJBBHSVFOWEO-LJQANCHMSA-N 379.489 3.540 0 40 GHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2CN(Cc3ccncc3)C[C@H]21 306133150 MDPNJICQZZZHTG-AZUAARDMSA-N 382.510 3.565 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)c1 408713357 VCTVAFAILQGDAN-UHFFFAOYSA-N 393.852 3.548 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccc[nH]2)C1=O)c1ccc(Br)cc1 409218772 KNOQJLQTPIYVCW-RIYZIHGNSA-N 391.246 3.696 0 40 GHAB C[C@@H]1CCC[C@]1(O)CNc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 549262791 PKRRFLFXUIEUCV-ASSNKEHSSA-N 395.532 3.990 0 40 GHAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)CN(C)C)c3cnn(C(C)C)c3n2)cc1 553791215 MODCFJNQJRVHJQ-INIZCTEOSA-N 379.508 3.668 0 40 GHAB CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@H]1CCC(=O)c2cccn21 560719682 LDWPGGXANCKKIY-MRXNPFEDSA-N 380.366 3.605 0 40 GHAB O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)c1cccc(C(F)(F)F)c1 575613436 SASWVVJWRJGRFX-FQEVSTJZSA-N 393.405 3.750 0 40 GHAB COCCN1CC[C@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 585102380 YQZMBEARIVVZER-QHCPKHFHSA-N 380.488 3.806 0 40 GHAB O=C(O)c1cnc(N2CCc3ccccc3C2)nc1COc1ccc(Cl)cc1 585265417 KUVRHEZUWHTILO-UHFFFAOYSA-N 395.846 3.970 0 40 GHAB COc1cccc2c1CC[C@@H]2NC(=O)N[C@@H](Cc1ccccc1)c1ncco1 654490751 RWISLRIEWDGBDH-OALUTQOASA-N 377.444 3.954 0 40 GHAB C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C12CCC2)c1cccc(NS(C)(=O)=O)c1 658252235 HVMIHWWRTGCTJU-WBAXXEDZSA-N 380.554 3.835 0 40 GHAB CO[C@H](CN(c1ccc(Br)cc1Cl)S(C)(=O)=O)C1CCC1 663985493 UJHKIWIHHKIVHV-CQSZACIVSA-N 396.734 3.684 0 40 GHAB COc1ccccc1N1C[C@H](c2nc(-c3ccc(C(F)F)nc3)no2)CC1=O 664958616 CZDCLXJHQIRPBD-GFCCVEGCSA-N 386.358 3.598 0 40 GHAB Cc1cc(C(F)(F)F)nc(N[C@H]2CCCCCN(C(=O)Cc3ccoc3)C2)n1 1615611086 JOYHEMQXNMWFKZ-HNNXBMFYSA-N 396.413 3.823 0 40 GHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCCN(C2CCSCC2)CC1 1775968351 ZNTADHUPXNMJGM-UHFFFAOYSA-N 388.455 3.629 0 40 GHAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)cc(Cl)c2)nn1 1888863840 FDQDICKCPVWTDX-SJPCQFCGSA-N 395.290 3.740 0 40 GHAB CCc1ncnc(N(C)CC2CCN(c3ncnc4ccsc34)CC2)c1F 1888904023 SIRBMESMUDOELU-UHFFFAOYSA-N 386.500 3.536 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@H]2CN(c3ncnc4sccc34)C[C@H]2C1 1888906550 NKLONAUMURSKGM-TXEJJXNPSA-N 391.422 3.678 0 40 GHAB O=C1NCCOCCCCN(CCCc2ccccc2)CCOc2ccccc21 2037989173 YIJBIMKMLWVNGC-UHFFFAOYSA-N 396.531 3.540 0 40 GHAB CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCOC)cc1 2704537 LITUSJCEQYJDRE-LJQANCHMSA-N 397.402 3.522 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cccn3)cc2)c(OC)c1 8879324 UNBSLZQJYDLSIA-FQEVSTJZSA-N 377.444 3.867 0 40 GHAB CC(C)(C)CN(CCCO)C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 79015057 MOAJNJDCTAOZMO-UHFFFAOYSA-N 399.491 3.840 0 40 GHAB COc1ccc(C(C)=O)c(OC(=O)c2ccccc2I)c1 6078333 JKQUHAPTWZISCX-UHFFFAOYSA-N 396.180 3.722 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCc1cccc(F)c1 6951526 PVNILBZDVJHFNK-GZTJUZNOSA-N 384.407 3.716 0 40 GHAB CCC[C@H](c1nnnn1Cc1ccco1)N1CCN(c2cc(C)ccc2C)CC1 57671149 QAHVATLSCNSWOQ-HXUWFJFHSA-N 394.523 3.595 0 40 GHAB Cc1ccc(C)c(SCC(=O)OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 108869115 IGIORBKYTVMXGL-VSZNYVQBSA-N 375.534 3.880 0 40 GHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1ccc(N2CCCC2)nc1 23101588 ULXUJGUGNOHYCF-UHFFFAOYSA-N 394.450 3.725 0 40 GHAB COc1ccc(NC(=O)CN2CCN(Cc3csc4ccccc34)CC2)cc1 24767451 UPOAOSTUNYMYPC-UHFFFAOYSA-N 395.528 3.666 0 40 GHAB CN(CC(=O)Nc1ccccc1-c1cccs1)S(=O)(=O)c1ccccc1 24915605 BNBBSGOFBMRXQO-UHFFFAOYSA-N 386.498 3.674 0 40 GHAB C[C@@H]1CCN(C(=O)CN2CCN(c3ccccc3)CC2)c2ccccc2S1 58146842 ICCSOVRCWYGOHG-GOSISDBHSA-N 381.545 3.726 0 40 GHAB O=C(COc1ccc(F)cc1Cl)NC[C@@H]1CCN(c2ccc(F)cc2)C1 57059008 OVYNRGRWSSPOAN-ZDUSSCGKSA-N 380.822 3.640 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(F)c(F)c2)cc1 26311630 REWMPLYUKBPRGP-CQSZACIVSA-N 382.476 3.846 0 40 GHAB Cc1ccc([C@@H](NC(=O)N2CCN(C)CC2)C(Cl)(Cl)Cl)cc1F 57531544 MNCYCMKREROVDB-CYBMUJFWSA-N 382.694 3.502 0 40 GHAB O=C(NCc1cccnc1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 24427086 QVCCDOGWDNBLKG-UHFFFAOYSA-N 380.757 3.870 0 40 GHAB COc1ccccc1[C@@H](C)NCC(=O)Nc1ccnn1Cc1cccc(Cl)c1 12767099 JBFCNPFYXCSFEF-OAHLLOKOSA-N 398.894 3.883 0 40 GHAB C[C@@H]1CCc2sc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)cc2C1 58158595 PYUCCWHMBWFXQK-CQSZACIVSA-N 397.544 3.827 0 40 GHAB Cc1cc(F)ccc1NC(=O)[C@@H](C)n1ncc(-c2ccc(Cl)cc2)nc1=O 44804140 PHSYWKYSJYRVBP-GFCCVEGCSA-N 386.814 3.606 0 40 GHAB Cc1ccccc1-n1cnnc1SCc1cc(=O)oc2c(C)c(O)ccc12 10243503 NKDIAVOGFNFPJT-UHFFFAOYSA-N 379.441 3.988 0 40 GHAB Cc1nc(SCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)oc1C 58244462 ZOVBHOQUTDIDPZ-CHWSQXEVSA-N 375.494 3.636 0 40 GHAB Cc1c(CC(=O)NCCC(=O)O)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 2120017 VYDUQBLHJADZGX-UHFFFAOYSA-N 399.443 3.587 0 40 GHAB biogenic CCOc1cc(-c2noc(-c3cccnc3)n2)cc(Br)c1OC 2219680 PCYTVRSDAMDRIM-UHFFFAOYSA-N 376.210 3.968 0 40 GHAB FC(F)(F)c1cccc(N2CCN(Cc3nnc(-c4ccco4)o3)CC2)c1 57270781 VHCCSATXEZULEW-UHFFFAOYSA-N 378.354 3.671 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c1 28328122 GFZWZSZMGZTTBE-LLVKDONJSA-N 387.379 3.532 0 40 GHAB COc1ccc2oc(=O)c(C(=O)Nc3ccc(Br)cc3F)cc2c1 64985028 WQMOPTPJDGBMRF-UHFFFAOYSA-N 392.180 3.956 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 2595095 SIEXZMRFCKWFDN-UHFFFAOYSA-N 389.455 3.803 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1ccc(-c2nc(C)no2)cc1)c1ccsc1 29415277 YYLSJTKVXKKIDP-GOSISDBHSA-N 384.505 3.919 0 40 GHAB COc1ccccc1N(C(C)=O)c1nc(CSc2nnc(C)[nH]2)cs1 11703648 KNIGVEBGUCUHTC-UHFFFAOYSA-N 375.479 3.555 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3nccs3)cc2)c1 3565946 PYDYWFJMORQQRZ-UHFFFAOYSA-N 388.470 3.780 0 40 GHAB CCC(C)(C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 9049306 JRUNLIDJHOWDNY-UHFFFAOYSA-N 387.530 3.844 0 40 GHAB Cc1cc(C)c2c3ccccc3n(CCNS(=O)(=O)c3cccs3)c2n1 5274225 WAALFYXLFPFTPJ-UHFFFAOYSA-N 385.514 3.846 0 40 GHAB COc1ccccc1OCc1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4 5346587 XFLVABCJPBGTDB-UHFFFAOYSA-N 396.472 3.778 0 40 GHAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccnc2)N1c1ccccn1 5306141 LSXZOUOPXQYHTA-SFHVURJKSA-N 389.798 3.986 0 40 GHAB COc1ccc(Cl)cc1-n1cc(C(=O)c2ccccc2O)cc(C(C)=O)c1=O 14138380 VGCBQQITAXVCKK-UHFFFAOYSA-N 397.814 3.639 0 40 GHAB FC(F)(F)c1nnc2ccc(Sc3nnc(-c4ccccc4Cl)o3)nn12 14199142 BUBCDELGZFUOTM-UHFFFAOYSA-N 398.757 3.998 0 40 GHAB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CCN(CC)C4)N2)ccc1OC 4556421 DDJCAWYHBRJQEH-GOSISDBHSA-N 387.505 3.962 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)NCCC1=CCCCC1 6558666 WQPYPFFZCSDPAX-UHFFFAOYSA-N 381.476 3.653 0 40 GHAB CCOC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc(C(=O)N(C)C)c1C 6583858 WVAWDDFMMXACTQ-UHFFFAOYSA-N 389.477 3.887 0 40 GHAB COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccccc1OC 4679092 JXNRUSROQIJTLP-UHFFFAOYSA-N 381.432 3.546 0 40 GHAB CC(C)NC(=O)N(O)[C@H]1N(CCc2ccccc2F)C(=S)SC1(C)C 4732547 MYIASNOLAQUDRU-CQSZACIVSA-N 385.530 3.616 0 40 GHAB O=C(/C=C/c1sc2ccccc2c1Cl)NC1(c2ncon2)CCOCC1 96012101 MANXXRKMQJJCCL-AATRIKPKSA-N 389.864 3.773 0 40 GHAB O=C1COc2cc(NC(=O)N[C@@H]3CCCc4cn(C5CCCC5)nc43)ccc2N1 96002802 UBVOCJCYKVNHDK-QGZVFWFLSA-N 395.463 3.528 0 40 GHAB CSc1cccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 5993022 MMODDSXUCGOHRT-UHFFFAOYSA-N 393.394 3.720 0 40 GHAB C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 7129627 MCTIPWPDTNQAQM-CYBMUJFWSA-N 381.457 3.935 0 40 GHAB Cn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccncc1 7112960 RNCJHDHKKGVNIH-GOSISDBHSA-N 393.516 3.723 0 40 GHAB COc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c1 9481388 QCJTZMMHPGHJRQ-INIZCTEOSA-N 377.444 3.667 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 8305406 MOKVBBIURJURTM-NSHDSACASA-N 392.290 3.858 0 40 GHAB Cc1cccc(Nc2nc(NCCN(C)C)nc3c2cnn3-c2ccccc2)c1 17135438 PLQXDNFCXJUNSZ-UHFFFAOYSA-N 387.491 3.841 0 40 GHAB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(C(N)=O)cc2)cs1 8761851 RHFAKLVRGQCASG-DHZHZOJOSA-N 393.468 3.781 0 40 GHAB CCOC(=O)c1nc(-c2cccs2)oc1NC(=O)c1cccc(COC)c1 95462389 GUIYSNHULIFAOE-UHFFFAOYSA-N 386.429 3.979 0 40 GHAB Cc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 84235433 VCDXCPSZVDAHRL-QRWLVFNGSA-N 384.426 3.990 0 40 GHAB COCCN(Cc1cccnc1)C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 95993192 VTEPFXZYJZLGEI-FQEVSTJZSA-N 396.535 3.563 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(c2ccnc(C(C)C)n2)CC1 89591291 KLHRPZNNUNHCDY-UHFFFAOYSA-N 377.485 3.616 0 40 GHAB CCCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(OCC)cc3)CC2=O)cc1 408706716 COXGTHZHNSEPND-SFHVURJKSA-N 396.487 3.543 0 40 GHAB NC(=O)/C=C\c1ccc(OCc2ccc(F)cc2)c(I)c1 409416197 DPVJWJIRWNUPJI-YWEYNIOJSA-N 397.187 3.508 0 40 GHAB O=[S@](CCOc1ccc(F)cc1)Cc1nc(-c2cccc(Cl)c2)no1 32801156 BPSNFDWSXQQCIJ-VWLOTQADSA-N 380.828 3.857 0 40 GHAB COc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3OC)NC2=O)ccc1O 408819492 YZPLEQXLXPRPTO-UHFFFAOYSA-N 391.856 3.826 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@@H](C(=O)O)C(C)C)c(C)c3cc12 6452244 ZXTACEYMPBZJEH-GOSISDBHSA-N 399.443 3.622 0 40 GHAB biogenic CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccsc1)c1ccco1 670628938 HJDBHFWTQNFDEP-AWEZNQCLSA-N 386.498 3.950 0 40 GHAB CC[C@@H](Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 219584806 UVLWANPEMWRGOB-QGZVFWFLSA-N 399.422 3.700 0 40 GHAB CC[C@@](C)(Nc1ccc2c(c1)OCCO2)c1nnnn1-c1c(C)cccc1C 35622757 SAUGVLKKXXSVIC-OAQYLSRUSA-N 379.464 3.788 0 40 GHAB O=C1C[C@@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)N2N=CNC2=N1 38200092 NIWWSLGGOKIGIB-HNNXBMFYSA-N 389.242 3.748 0 40 GHAB COc1ccc(-c2nc(-n3cccc3)sc2C(=O)NCC2CCOCC2)cc1 72402301 HFEPIEOYDKTROH-UHFFFAOYSA-N 397.500 3.766 0 40 GHAB CCN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)cc3F)cc2)CC1 40089816 WPBACKNKMWGSKR-UHFFFAOYSA-N 375.875 3.869 0 40 GHAB COC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc2ccccc2c1 225042799 AACHJBYMSCPHCG-UHFFFAOYSA-N 383.469 3.825 0 40 GHAB CC(C)[C@H](C)NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 225186786 LYVGDHUHZOUGQD-HNNXBMFYSA-N 394.924 3.696 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 225093197 FSXFQVFCLCDEJK-OALUTQOASA-N 382.504 3.706 0 40 GHAB CC(C)CSc1nnc(NC(=O)c2cccc(N3CCCC3=O)c2)s1 225271116 WZIGEQVRSLMKOR-UHFFFAOYSA-N 376.507 3.665 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)Cc3ccco3)ccc2C)cc1 224101610 SDAFTKVXBQAZIZ-UHFFFAOYSA-N 398.484 3.969 0 40 GHAB COc1ccc(CNC(=S)Nc2ccc(OC(C)C)cc2)c(OC)c1OC 225527042 JBAHZQSBJZRFJR-UHFFFAOYSA-N 390.505 3.986 0 40 GHAB COc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](C)C(=O)NC(C)C)c1 225662779 VVYIAPAFDRNNSR-IBGZPJMESA-N 396.531 3.796 0 40 GHAB O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)C1(n2cnnn2)CCCCC1 96223857 HPHLTMOTDWCJCF-INIZCTEOSA-N 398.898 3.661 0 40 GHAB CCc1ccc(N(CC(=O)Nc2c(CC)cccc2CC)S(C)(=O)=O)cc1 242769484 DRAXUHGAESJCKF-UHFFFAOYSA-N 388.533 3.779 0 40 GHAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)[C@@H]3[C@H]4CCCC[C@H]43)n2)cc1 247996533 BKOLJWUZXOUIPH-FVQHAEBGSA-N 390.530 3.800 0 40 GHAB C[C@H](c1ccccc1)[C@@H](O)CNS(=O)(=O)c1cc2cc(Cl)ccc2s1 1663308989 NZOSWEFAKRWWEN-WBMJQRKESA-N 395.933 3.998 0 40 GHAB N[C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)CCSc3ccccc3Cl)C2)C1 653191558 XRHJCXIPNOKFKW-UXLLHSPISA-N 382.957 3.567 0 40 GHAB Cc1sc2nc(CN3CCCC3)nc(N3CCN(C(C)(C)C)CC3)c2c1C 1165090615 FUUQBELRDNORLS-UHFFFAOYSA-N 387.597 3.824 0 40 GHAB Fc1ccc(-c2cnc(Nc3ccc(C[C@@H]4CNCCOC4)cn3)s2)cc1 585262798 GUBJKJHQPQGEOV-OAHLLOKOSA-N 384.480 3.866 0 40 GHAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCCc1cccc2[nH]ccc12 558680087 SWBVWSUXICGEGT-QGZVFWFLSA-N 379.460 3.582 0 40 GHAB C[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccn1-c1ccc(F)cc1 12147966 GUPJAPMFTYHZPV-MRXNPFEDSA-N 382.435 3.728 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1C 12462229 YTCLMWXEXFJMBV-CQSZACIVSA-N 380.897 3.750 0 40 GHAB C[C@H]1CC(=O)c2cnc(NC(=O)COc3ccc(Cl)cc3Cl)nc2C1 13635994 WLXMMZXVDTYGDB-SECBINFHSA-N 380.231 3.566 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(F)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716326 UMAWLTJRHZTJDS-SFHVURJKSA-N 378.469 3.626 0 40 GHAB COc1ccc(C)cc1CN1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1 19133365 UNIBXAZPKFFADS-UHFFFAOYSA-N 390.487 3.529 0 40 GHAB C=Cn1ncc(CN2CCC(c3cc(=O)[nH]c(-c4cccc(C)c4)n3)CC2)c1C 19235535 CQDUJOVFHSVTOM-UHFFFAOYSA-N 389.503 3.730 0 40 GHAB Cc1ccccc1-n1nc(C)c(-c2cncn2[C@@H](C)CN2CCOCC2)c1C 19719664 VQOOUECSBIMLAR-KRWDZBQOSA-N 379.508 3.554 0 40 GHAB CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(C/C(C)=C/c2ccccc2)C1 19739196 ZXJVVTDAZAQKBL-SJQUQUAPSA-N 381.520 3.882 0 40 GHAB Cc1nc(CC(=O)N2CCC(CC(=O)N[C@@H](C)c3ccccc3)CC2)cs1 19748611 MACCZSDZMUIYCZ-HNNXBMFYSA-N 385.533 3.500 0 40 GHAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(C#N)cc1 6325026 YGIYWACXXVAARN-WSDLNYQXSA-N 395.260 3.865 0 40 GHAB COc1cc(C(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc(OC)c1OC 226311061 UJNFNBQOGRFQIZ-UHFFFAOYSA-N 393.852 3.810 0 40 GHAB CC(C)(C)Nc1c(C2CCN(C(=O)c3ccccn3)CC2)nc2ccccn12 12087441 NNDZEMCWDWWTAI-UHFFFAOYSA-N 377.492 3.960 0 40 GHAB Cc1sc2nc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)nc(N)c2c1C 11272485 YIEOYEWILQUEJY-UHFFFAOYSA-N 388.802 3.773 0 40 GHAB Cc1ccnc2nc(C(=O)Nc3nc(-c4ccc5c(c4)CCCC5)cs3)nn12 5978280 OBKYPQDZJFQIJA-UHFFFAOYSA-N 390.472 3.687 0 40 GHAB COCCN(C(=O)c1cncc(Br)c1)c1nc2ccccc2s1 23042389 CPLSVJYBLBKCIA-UHFFFAOYSA-N 392.278 3.747 0 40 GHAB COC(=O)c1ccc(Nc2ncncc2-c2nc(-c3ccsc3)no2)cc1 239611828 FFHNEPUBSZASSM-UHFFFAOYSA-N 379.401 3.785 0 40 GHAB COC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1 4061637 NHTDLSDTBWLPOT-UHFFFAOYSA-N 382.420 3.820 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)NC4CCCC4)ncnc32)c(C)c1 4341751 ZVOGDNLQBIZZDA-UHFFFAOYSA-N 381.505 3.583 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 4570867 ASVZUOGRBVIKSD-UHFFFAOYSA-N 379.485 3.724 0 40 GHAB Cc1nc(CN2CC3(CCN(C(=O)[C@H]4CC[C@H](C)CC4)CC3)CC2=O)cs1 2055796201 OVBBEYQKOWRTJJ-JCNLHEQBSA-N 389.565 3.619 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1csc2ccccc12 225695994 JVABQILFDUQGHC-OAHLLOKOSA-N 381.906 3.875 0 40 GHAB COc1ccc(-c2noc(-c3ccc(=O)n(Cc4ccc(F)cc4)c3)n2)cc1 49007395 PFBMEKSJIITQQI-UHFFFAOYSA-N 377.375 3.761 0 40 GHAB Cc1cc(C)n([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)c2cccs2)n1 575611801 XJBBHONGTKDTSC-INIZCTEOSA-N 393.468 3.687 0 40 GHAB C[C@@H](Cc1csc2ccccc12)NC(=O)CCS(=O)(=O)c1ccccc1 575621652 QGVHOCODKBTWKI-HNNXBMFYSA-N 387.526 3.813 0 40 GHAB CC(C)Oc1ccc(-c2nc3s/c(=C\c4ccccc4Cl)c(=O)n3n2)cc1 2315780 CSLZSAWCPXGSRJ-BOPFTXTBSA-N 397.887 3.806 0 40 GHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@H]1COc2ccccc2C1 8133214 RDKYXGQNUAITCI-GOSISDBHSA-N 388.471 3.861 0 40 GHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1cn[nH]n1 40151249 SLLLJIJUBRWGFW-UHFFFAOYSA-N 392.850 3.583 0 40 GHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(F)ccc1-n1cnnn1 20718884 NEPHFMULKWQCKX-UHFFFAOYSA-N 385.708 3.726 0 40 GHAB CC[C@H]1CO[C@@H](C)CN1C(=O)COc1ccc(Br)cc1Cl 32674189 CJDYRADRYCYFAH-JQWIXIFHSA-N 376.678 3.507 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cc(-c2ccc(C)cc2)no1 32721417 WAALWYIHNDSWHV-UHFFFAOYSA-N 380.400 3.879 0 40 GHAB CCN(C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1cccc2ccccc12 21585679 BRAQRVSABLHVLI-UHFFFAOYSA-N 393.487 3.790 0 40 GHAB C/C=C/c1cc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)cc(OC)c1OC 32841803 SKNMOZLXRABDOD-AUNFYEFLSA-N 392.459 3.757 0 40 GHAB COC(=O)c1cccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)c1 886414 XFALFFLFSUKZBO-UHFFFAOYSA-N 387.486 3.826 0 40 GHAB COC(=O)COc1ccc2c(=O)c(-c3csc(C)n3)c(C(F)(F)F)oc2c1 2239983 MWDLXORRSSCWEE-UHFFFAOYSA-N 399.346 3.796 0 40 GHAB CCCC[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 2373014 WOWOUHYSSLRNCJ-HNNXBMFYSA-N 390.509 3.741 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2)N1C[C@@H]1CCCO1 2402749 YCPBUPMWTWFIAD-HNAYVOBHSA-N 379.387 3.656 0 40 GHAB O=C(COC(=O)/C=C/c1ccc(Br)o1)NC1CCCCCCC1 2638707 FBQGVFFMTCSIIF-PKNBQFBNSA-N 384.270 3.828 0 40 GHAB COc1ccc(CCNC(=O)COC(=O)c2cc(SC)ccc2Cl)cc1 3219555 GFXFAXAZTMUKJC-UHFFFAOYSA-N 393.892 3.586 0 40 GHAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(C(F)(F)F)cc2)n1 3280049 WSLNUGYSOOZIET-UHFFFAOYSA-N 375.354 3.859 0 40 GHAB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1ccccc1OC(F)F 3284022 DYXFFQNYPUTAGN-UHFFFAOYSA-N 397.399 3.814 0 40 GHAB O=c1cc(COc2ncnc3c(Cl)cc(Cl)cc23)nc2sccn12 3324725 QMSBGRMIUYUUIW-UHFFFAOYSA-N 379.228 3.585 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)C(C)C)n2C(C)C)cc1 3426196 RXAKBPVHTQVMHZ-AWEZNQCLSA-N 376.526 3.787 0 40 GHAB COc1ccc(CNC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 3444888 ZQLHKPFNXSGVKS-UHFFFAOYSA-N 393.414 3.761 0 40 GHAB O=C(NC1CC1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 3515931 CJMFZCWZZPKBHO-UHFFFAOYSA-N 385.272 3.686 0 40 GHAB COc1cccc(CNC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)c1 4220878 CPXXXBUZIZYZTF-UHFFFAOYSA-N 391.423 3.541 0 40 GHAB Cc1ccccc1NC(=O)c1c[nH]c2c(c(C)nn2-c2ccc(F)cc2)c1=O 4316380 FORPJLAKWWRILX-UHFFFAOYSA-N 376.391 3.722 0 40 GHAB COC(=O)C[C@H](NC(=O)c1ccccc1C(=O)O)c1cccc(Cl)c1Cl 4550566 QWKAEISTZIZLBT-AWEZNQCLSA-N 396.226 3.726 0 40 GHAB O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4C(c5ccc(Cl)cc5)=NO[C@H]34)[C@H]2C(=O)N1c1ccccc1 4744593 MAAYCDPIHURLKL-NJHADGRTSA-N 392.842 3.515 0 40 GHAB COCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 4815083 UGUFXNRPRGCOCC-MSOLQXFVSA-N 382.851 3.645 0 40 GHAB COCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1 4816550 ZMDJJGUKRXUIOB-RTBURBONSA-N 396.878 3.954 0 40 GHAB COc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OCCOC(C)C)c3C)C2)cc1 4910619 VJNNKTYAJZVTBJ-MRXNPFEDSA-N 385.460 3.826 0 40 GHAB CC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 4982886 UWONAUAPPIPNHL-HNNXBMFYSA-N 394.924 3.758 0 40 GHAB C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NC1CC1 4994096 YMBZEAXNTUDMNS-AWEZNQCLSA-N 376.485 3.965 0 40 GHAB CC(=O)c1ccc(NC(=O)c2cccn(OCc3cccc(Cl)c3)c2=O)cc1 5054795 ULLSHESOESBCGL-UHFFFAOYSA-N 396.830 3.585 0 40 GHAB O=C(Cn1nnc(-c2cccc(Cl)c2)n1)Nc1ccccc1C(F)(F)F 5088632 WBHUFXZXJWZORO-UHFFFAOYSA-N 381.745 3.651 0 40 GHAB COCCCn1c(C)cc(C(=O)Cn2nnc(-c3ccc(C(C)C)cc3)n2)c1C 5255391 YUJZUOUKPYNAJY-UHFFFAOYSA-N 395.507 3.801 0 40 GHAB CN(C)CCn1cnc2c(c1=N)[C@@H](c1ccco1)c1c(ccc3ccccc13)O2 5346414 BDYDOCCRCJCIQC-FQEVSTJZSA-N 386.455 3.956 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCc3cc4c(cc3C2)OCCCO4)c(C)c1 5352179 RXTBQQUOAUPHNF-UHFFFAOYSA-N 387.501 3.520 0 40 GHAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)NC1CCCC1 5396657 QBWZQPUBTDUKBW-GFCCVEGCSA-N 376.551 3.805 0 40 GHAB CC(C)c1ccccc1NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 5559529 CCLODRCJSVYCIS-UHFFFAOYSA-N 377.535 3.869 0 40 GHAB O=C(CCN1CCCCC1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cccnc1 5594207 QSBRTZBQSHLYRI-DEOSSOPVSA-N 388.515 3.913 0 40 GHAB in-vitro Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3)c(=O)[nH]c2c1 5941241 RVHCWAXLLFCHSC-FQEVSTJZSA-N 390.483 3.966 0 40 GHAB CCCCn1c(SCc2ccccc2F)nc2cc(S(N)(=O)=O)ccc21 6023405 DFJYNEQVYXAYLX-UHFFFAOYSA-N 393.509 3.915 0 40 GHAB O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1Cl 6317184 JAERPLWJWROTBY-UHFFFAOYSA-N 387.288 3.631 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCCc2cccs2)c1 6638847 OCWXNKZBFCMAMU-UHFFFAOYSA-N 380.535 3.740 0 40 GHAB COc1ccc(Cn2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 6758157 QTIUXTFPLFTQOP-UHFFFAOYSA-N 380.835 3.601 0 40 GHAB O=C(NCCCOC1CCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 6988992 NNGOWMKBISACJZ-UHFFFAOYSA-N 397.519 3.592 0 40 GHAB Cc1c(NC(=O)CSc2ccc3c(c2)CCC3)c(=O)n(-c2ccccc2)n1C 7737635 VNWWEJIQJLCGGT-UHFFFAOYSA-N 393.512 3.704 0 40 GHAB CSc1ccc(CN(C)[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 7918573 WYBHIKGAHDSVIZ-KRWDZBQOSA-N 399.560 3.601 0 40 GHAB COCCc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)cc1 7973779 WZEMJHIRSPAOGC-IBGZPJMESA-N 396.468 3.778 0 40 GHAB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 8475097 MWHKLUVFPWCCEA-RTBURBONSA-N 394.858 3.849 0 40 GHAB C[C@H](Sc1nnc(Nc2cccc(Br)c2)s1)C(=O)NC1CC1 8485071 SGUVKOOEDRHTRR-QMMMGPOBSA-N 399.339 3.803 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 8494506 CBDPOESUWXWYDB-HNNXBMFYSA-N 377.824 3.931 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)cc1 8924865 FJQGMEXOEXCICN-QMRSZWDOSA-N 388.489 3.742 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(c2cccc(Cl)c2)CC1 9117216 CSEGJYQAPWVMCF-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB Cc1cc(-c2csc(NC(=O)c3ccc(OCC(N)=O)cc3)n2)c(C)s1 9156304 NECCIRJXQCGWJV-UHFFFAOYSA-N 387.486 3.605 0 40 GHAB CCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3cccc(O)c3)=NN12 10214564 FHWRPGQWNVIRJY-HXUWFJFHSA-N 393.487 3.756 0 40 GHAB Cc1cc(=O)c(C(=O)NCC2(c3ccccc3)CCC2)nn1-c1ccccc1F 10221907 HUAOEIUNRQVJSI-UHFFFAOYSA-N 391.446 3.532 0 40 GHAB CCCn1c(-c2nonc2NC(=O)c2ccccc2OC)nc2ccccc21 10337215 WYLPHOSUQMHHRP-UHFFFAOYSA-N 377.404 3.757 0 40 GHAB Cn1c(SCN2C(=O)c3ccccc3C2=O)nnc1-c1cc2ccccc2o1 10675162 LODKDSYPEBXHLE-UHFFFAOYSA-N 390.424 3.574 0 40 GHAB Cc1cc(C)cc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 11612533 RJAHZRGLZXUXGM-IBGZPJMESA-N 386.517 3.875 0 40 GHAB COc1cccc(COc2coc(C(=O)N[C@H](C)c3ccccc3)cc2=O)c1 11856944 INUDMEPIBJFYFR-OAHLLOKOSA-N 379.412 3.718 0 40 GHAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)c3cc(CC(C)C)on3)C2)on1 12118448 XIDVWYKREHQFPP-HNNXBMFYSA-N 395.463 3.646 0 40 GHAB COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)Cc2ccccc2F)cc1 12145657 ZBZRIUWWETVHMR-FQEVSTJZSA-N 379.435 3.756 0 40 GHAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)[C@@H](C)Cn2nc(C)nc2C)cc1 12162357 WLHWAEMDYALJLU-SDTQGNRXSA-N 396.535 3.628 0 40 GHAB CCOc1cc(CCC(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)on1 12188194 FFZXWYLTNPUTNA-GOSISDBHSA-N 379.460 3.960 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)Nc2nc3ccc(C)cc3s2)CC1=O 12584931 AWISFXMVBRWQGU-ZDUSSCGKSA-N 381.457 3.605 0 40 GHAB CCc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 12767862 IMJBROUCGFXWLG-UHFFFAOYSA-N 381.501 3.997 0 40 GHAB COc1ccc(OCCSCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 12769115 SENOWGPTWJDZMS-UHFFFAOYSA-N 375.534 3.892 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)cc1OC 12781009 FIQIIUIXEUDGTC-NWDGAFQWSA-N 387.407 3.939 0 40 GHAB COc1nc(N)nc2sc(C(=O)O[C@H](C)C(=O)c3cc(C)c(C)cc3C)cc12 12784059 DXKZBHXOTKCABA-GFCCVEGCSA-N 399.472 3.636 0 40 GHAB O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 12808333 QDJVIMBAHRKXRC-DHZHZOJOSA-N 382.891 3.908 0 40 GHAB CCc1cccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)c1 12821083 PZEZIWUKNYSZEC-QHCPKHFHSA-N 391.471 3.575 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 12922718 DPAHDRMUDULPOD-OAGGEKHMSA-N 377.362 3.765 0 40 GHAB Cc1ccc(-c2noc(Cn3nnc(-c4ccc(Br)cc4)n3)n2)cc1 13000287 RFKQOWORCLAXSN-UHFFFAOYSA-N 397.236 3.509 0 40 GHAB COC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1ccc(F)cc1F 13001496 XLOBFALTADESKA-UHFFFAOYSA-N 378.352 3.672 0 40 GHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccccc3SC)ccc21 13610506 WZKRVYLANSZRER-UHFFFAOYSA-N 390.530 3.763 0 40 GHAB O=C(NC1CCCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 13689508 XMFYYXNTNHBDRE-KRWDZBQOSA-N 381.520 3.788 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3)n2C)c1C 14126232 HILBUOOXCAARGO-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB Cc1ccccc1Cn1ccc(NS(=O)(=O)c2cccc3cccnc23)n1 14222861 PPXSHFLSDPSWDP-UHFFFAOYSA-N 378.457 3.589 0 40 GHAB O=C(NCCc1cccs1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 14240121 MPXHLILNRCLCBE-UHFFFAOYSA-N 383.439 3.737 0 40 GHAB Cc1cc(=O)c(C(=O)Nc2cc(C(C)(C)C)ccc2O)nn1-c1ccccc1 14249195 MSERNKKGMPFWMZ-UHFFFAOYSA-N 377.444 3.796 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSCc1ccc(C)cc1 14595139 YFWZUSUALGAQRD-UHFFFAOYSA-N 389.473 3.671 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1 15883016 OWFDXVUDKDYOTM-UHFFFAOYSA-N 395.846 3.761 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 16780290 MTPZXIAHDCDKNM-HNNXBMFYSA-N 397.544 3.891 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NCc1ccc(C)cc1 17297393 XGZJDNGUFMXJDQ-UHFFFAOYSA-N 377.444 3.638 0 40 GHAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)c3ccccc3)CC2)C1 19019824 YKMXEHJRIFMVNB-UHFFFAOYSA-N 392.499 3.881 0 40 GHAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ncc(Cc2ccccc2)s1 19080751 AHQKLIPHWHFTDD-CYBMUJFWSA-N 382.441 3.869 0 40 GHAB O=C(NCc1cccnc1)c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1 19293804 LWUVIAXTNJDUEN-UHFFFAOYSA-N 394.450 3.518 0 40 GHAB CCOc1ccc(CN2CCc3nc([C@H]4CCCCN4C(C)=O)ncc3C2)cc1 19533358 YPOFWQWJKRSHAU-JOCHJYFZSA-N 394.519 3.507 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1 19595052 VQWQHFKXZBLRRA-OAQYLSRUSA-N 396.418 3.605 0 40 GHAB COc1cc(CN2CCC[C@H]2c2nc3ccccc3s2)ccc1OCC(N)=O 19658698 SZBROHKYMZAIGS-INIZCTEOSA-N 397.500 3.506 0 40 GHAB COc1ccccc1CCC(=O)Nc1ccc([C@@H]2CCc3nncn3C2)cc1 19699019 PICDOQITHLKCBM-GOSISDBHSA-N 376.460 3.588 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 20111232 XQQSFZCCVLDHKQ-CABCVRRESA-N 375.490 3.768 0 40 GHAB O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccco1 20152423 YFNQOEGNYJPTIE-UHFFFAOYSA-N 376.821 3.812 0 40 GHAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccco1 20152428 LICLUEHHUVAZTP-UHFFFAOYSA-N 376.821 3.812 0 40 GHAB CN(Cc1cnn(C)c1)C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 22425443 SYNMKHIRLVQLCH-GOSISDBHSA-N 393.516 3.936 0 40 GHAB C[C@H]1CN(C(C)(C)CNC(=O)/C=C/c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 23181306 OOMVDFNULQLWSE-ONWOKCAKSA-N 384.442 3.723 0 40 GHAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1cccs1)N1CCOCC1 23182609 KXFMHIHVGCYSHZ-DYVFJYSZSA-N 379.913 3.985 0 40 GHAB COc1ccc(OCCSCCCCN2C(=O)c3ccccc3C2=O)cc1 24978511 NBKWPLJCOHAKMF-UHFFFAOYSA-N 385.485 3.884 0 40 GHAB CNC(=O)c1ccc(CN(Cc2cc(=O)oc3cc(C)ccc23)C2CC2)cc1 25190144 RESDFBIXRMDUBC-UHFFFAOYSA-N 376.456 3.626 0 40 GHAB Cc1cc(C)cc(OCCCSc2nc3ccccc3c(=O)n2CCCO)c1 26563273 AUZNRDJGSOOLQI-UHFFFAOYSA-N 398.528 3.957 0 40 GHAB Cc1cccc(N2CCN(CCCCNC(=O)c3ccc(F)c(F)c3)CC2)c1 26956728 FZIOWWYLDICDKD-UHFFFAOYSA-N 387.474 3.605 0 40 GHAB O=C(c1cc(Br)ccc1F)N1CCN(CCc2ccccc2)CC1 27252713 AFMAQGFVCAHZSL-UHFFFAOYSA-N 391.284 3.589 0 40 GHAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)cc1 28287030 CQGVACSVHDHSSA-LBPRGKRZSA-N 378.384 3.704 0 40 GHAB Cc1cc(S(=O)(=O)n2nnc3ccccc32)c(C(C)C)cc1Br 30768733 BYWGMLSLNFBOBS-UHFFFAOYSA-N 394.294 3.863 0 40 GHAB Cc1ccc(-n2nc(C)c(NC(=O)c3cccc(C[S@](C)=O)c3)c2C)cc1 31027546 QWGHQIQPBOBCCU-HHHXNRCGSA-N 381.501 3.928 0 40 GHAB CNC(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 31921799 BCUZQIJACNQXDQ-UHFFFAOYSA-N 390.399 3.712 0 40 GHAB O=C(NCCc1cccs1)c1cc(-c2ccc(Br)cc2)[nH]n1 32201956 BDEVQLAUKJKFLN-UHFFFAOYSA-N 376.279 3.873 0 40 GHAB COc1ccc(-c2noc(-c3ccc(OCC(=O)N4CCCCC4)cc3)n2)cc1 32579183 AOARKKAWOWLCAR-UHFFFAOYSA-N 393.443 3.804 0 40 GHAB O=C(c1ccc(Br)s1)N1CCC[C@@H](c2nnc3ccccn23)C1 32904368 GGZQMCPKEHASCD-LLVKDONJSA-N 391.294 3.573 0 40 GHAB C[C@H](NC(=O)CN1CCN(c2ccc(O)cc2)CC1)c1ccc2ccccc2c1 36386793 FCIYLVQXCZWDIG-SFHVURJKSA-N 389.499 3.545 0 40 GHAB COc1ccc(OCC(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1 36398540 MYRJGKIMFAEXFL-SFHVURJKSA-N 382.504 3.622 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H](c1ccccc1Cl)N(C)C 40012771 DHUKJEWOAWQZSK-HXUWFJFHSA-N 390.959 3.771 0 40 GHAB CN1CCN(Cc2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 40089749 IDNICSSKQBJWEJ-UHFFFAOYSA-N 378.303 3.993 0 40 GHAB COc1ccc(OC(F)F)c(NC(=O)NC[C@@H](C)Cn2nc(C)cc2C)c1 40120570 KUWWTIFMPNICCG-LLVKDONJSA-N 382.411 3.568 0 40 GHAB CCCCCn1nc(C(=O)NC[C@H]2Cc3ccccc32)c2ccccc2c1=O 40150303 UMPBJQSHJBBQOG-QGZVFWFLSA-N 375.472 3.656 0 40 GHAB CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(Br)s1 40159543 OMCGMXOQTXQSRE-UHFFFAOYSA-N 399.335 3.943 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NCc1cc2cc(C(C)C)ccc2[nH]c1=O 41169145 GQMOSSRNVZCAOC-UHFFFAOYSA-N 388.464 3.578 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1 46435311 ZUJOGTRHQTZPBP-MRXNPFEDSA-N 394.805 3.870 0 40 GHAB CC(=O)N[C@@H](C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F)C1CCCC1 53464864 DDIONAHTKFCANU-MEDUHNTESA-N 379.407 3.731 0 40 GHAB CC(C)c1ccc(Sc2ccc(NC(=O)CCNS(C)(=O)=O)cc2)cc1 58163708 ZYGMLKXKZTYWIV-UHFFFAOYSA-N 392.546 3.839 0 40 GHAB Cc1noc(C(C)C)c1C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 60915418 ZPUZWCIULLSNPO-RVDMUPIBSA-N 399.472 3.573 0 40 GHAB Cc1nn(Cc2ccc(C(=O)Nc3cc(-c4ccncc4)n[nH]3)o2)c(C)c1Cl 72255817 XRROJZQDTUKGAD-UHFFFAOYSA-N 396.838 3.832 0 40 GHAB COc1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(OC)c3)c[nH]2)cc1 72322097 IOBKSNOKPLRMDP-NRFANRHFSA-N 379.460 3.667 0 40 GHAB biogenic,in-vitro Fc1cccc(-c2ccc(CN3CCn4c(nnc4[C@@H]4CCCNC4)C3)cc2)c1 72372137 AGPRSMFCMDUDOG-HXUWFJFHSA-N 391.494 3.567 0 40 GHAB COc1ccc(CCn2cc(C(=O)Nc3ccccn3)c3ccccc3c2=O)cc1 72400874 ZJJJPGOFYKVQOH-UHFFFAOYSA-N 399.450 3.900 0 40 GHAB COC(=O)C(C)(C)C(C)(C)NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 78902728 XHMBNLURONEFLI-UHFFFAOYSA-N 396.487 3.955 0 40 GHAB COc1cc(OC)c(NC(=O)C(=O)N2CCC[C@H]2c2cccs2)cc1Cl 83919873 SUEMQDCYLWFQRR-ZDUSSCGKSA-N 394.880 3.721 0 40 GHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)C1(C)C 84671145 YURIASFTNUZNFA-PBHICJAKSA-N 378.538 3.940 0 40 GHAB CCOC(=O)c1cn(CC(=O)C(C)(C)C)c2cc(Br)ccc2c1=O 84798661 SKDWOZKABABZJV-UHFFFAOYSA-N 394.265 3.556 0 40 GHAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Nc2cccnc2Cl)cc1 89904832 ORIRPZSVQHGTBY-VQIMIIECSA-N 375.856 3.648 0 40 GHAB NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1cc(F)cc2cccnc12 92454105 AYAWNTYBHOTZOE-UHFFFAOYSA-N 392.434 3.715 0 40 GHAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1OC 95534289 KDXDUYQJODEXCF-MRXNPFEDSA-N 392.381 3.946 0 40 GHAB CCCOc1ncccc1CNC(=O)[C@H]1CCn2c(cnc2-c2ccccc2)C1 95993154 CUZAIEASWLSSQV-SFHVURJKSA-N 390.487 3.613 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc21 96321928 LWMVVYTWMYJIPO-UHFFFAOYSA-N 396.921 3.605 0 40 GHAB COC(=O)[C@@H]1CCCCC[C@H]1NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 97164451 JPKZMJYQGBGQCG-RTBURBONSA-N 392.927 3.656 0 40 GHAB CCOC(=O)N[C@H]([C@H]1C(=O)N(c2ccccc2)N=C1C)C(Cl)(Cl)Cl 100015417 IAOAPDJOHWRFIF-NWDGAFQWSA-N 392.670 3.510 0 40 GHAB Cc1cc(OCC(=O)c2ccccc2)ccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 100396980 BAZQIEZAPXIYPD-FHQLIMNDSA-N 389.451 3.792 0 40 GHAB O=S(=O)(NCC[C@H](CCO)c1ccccc1)c1cc(Cl)ccc1Cl 206627854 WCJAXCAYASWYNI-CQSZACIVSA-N 388.316 3.828 0 40 GHAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)C2CCCCC2)c2ccccc2O1 222972924 AECBMJMQMYXZEY-OAQYLSRUSA-N 378.472 3.677 0 40 GHAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 223211411 IEIBHNQFCJPTHB-JKSUJKDBSA-N 380.970 3.721 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)cc1 225490904 CRPVTQYUOMNBJU-LJQANCHMSA-N 396.531 3.878 0 40 GHAB CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(S(C)(=O)=O)cc2)c1 225724604 RXZCBVBMAMCVPI-GOSISDBHSA-N 392.546 3.927 0 40 GHAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)ccc1OC 225773433 YOLQFEYIRIBODM-UHFFFAOYSA-N 397.471 3.867 0 40 GHAB O=C1N[C@@H](CC(=O)N2[C@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)c2ccccc21 247889948 YHHFIEZMHWSCPC-WFXMLNOXSA-N 378.447 3.938 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)nc(N)n1 257241306 HXOMWXDEEBXQTF-QGZVFWFLSA-N 397.866 3.577 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)NC(=O)c2cccc(N3CCCC3)c2)cc1 257325267 WSEZNVDZYLCSAB-UHFFFAOYSA-N 386.517 3.703 0 40 GHAB COc1ccc(CN2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 306143350 XZZHCGVZBOQQTL-HXUWFJFHSA-N 385.471 3.789 0 40 GHAB O=C(Nc1ccc2sc(C(=O)N3CCOCC3)cc2c1)c1cccc(F)c1 408713280 RHQKCTIVSMHRHC-UHFFFAOYSA-N 384.432 3.765 0 40 GHAB O=C(O)c1cc(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cs1 514876462 KGVIODIWWIAKIK-CQSZACIVSA-N 387.379 3.918 0 40 GHAB Cc1ncccc1OC[C@@H]1CCCN1C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 529498469 XVRZPMFUYBESQB-QFBILLFUSA-N 388.414 3.860 0 40 GHAB CCN(CCC1CCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1)CC1CC1 536593733 QGWHYCXTOFFGSW-UHFFFAOYSA-N 397.563 3.891 0 40 GHAB O=C(CCNC(=O)Nc1ccc(Oc2cccnc2)cc1)NC1CCCCC1 565739621 GHSOSQFUEWYMNZ-UHFFFAOYSA-N 382.464 3.834 0 40 GHAB Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1nn2c(c1C)OCCC2 577458138 VCEOBAAJLLGRQR-SFHVURJKSA-N 391.475 3.657 0 40 GHAB Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccnn3C)cs2)cc1 585295322 UWVRXQUJEIPPEI-SFHVURJKSA-N 381.505 3.774 0 40 GHAB O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@@H]1OCC[C@@H]1Cn1ccnc1 621408538 DIXHXWZEQALXMH-HLAWJBBLSA-N 395.890 3.847 0 40 GHAB C[C@H]1Oc2ccccc2CCCCC2(CCN(C(=O)C3CC3)CC2)CN(C)C1=O 643564670 ZLHQGDZCKKCXPS-GOSISDBHSA-N 398.547 3.658 0 40 GHAB O=C(NCC(F)(F)c1cccc(F)c1)Nc1ccccc1O[C@@H]1CCOC1 666333556 ZFCJOGQXENVLKT-OAHLLOKOSA-N 380.366 3.907 0 40 GHAB O=S(=O)(Nc1cccnc1)c1cc(Cl)c(Cl)cc1Br 1615546231 NDJNWWWYADONNU-UHFFFAOYSA-N 382.066 3.952 0 40 GHAB CC(C)=CCC[C@]1(C)Oc2cc3c(c4c2[C@@H]2[C@H](O4)[C@](C)(O)CC[C@H]21)CNC3=O 1772591738 NBNPXTAXSQRYAH-LVSJGZCMSA-N 383.488 3.833 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1c1nncs1 2704361 RFMJBUSRPBBTFM-HNNXBMFYSA-N 379.372 3.533 0 40 GHAB Cc1cc(=O)c(C(=O)O[C@@H](C)c2c(F)cccc2F)nn1-c1ccccc1F 61056850 VLVAUSIYPTVMMZ-LBPRGKRZSA-N 388.345 3.876 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCc2sccc2C1 12215962 LBVMIZWEFSWBHS-KRWDZBQOSA-N 376.909 3.741 0 40 GHAB CCCCn1c(SCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)n[nH]c1=O 22615719 KYUJJBJJNDLRLF-OAHLLOKOSA-N 390.553 3.540 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)NC[C@@H](c1ccccc1)N(C)C 22877373 RFERKGOIPKPUBL-KDOFPFPSSA-N 375.900 3.568 0 40 GHAB Cc1ccc(-c2nc(CSc3nnc(CCC(N)=O)n3CC(C)C)co2)cc1 22976037 NPQUAEVMVRYKKG-UHFFFAOYSA-N 399.520 3.608 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1 6325279 SCCLUWQPIDFAGI-HNNXBMFYSA-N 392.546 3.836 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1 6502191 DZUFGEPCGKXNOB-UHFFFAOYSA-N 387.288 3.561 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(CC(C)C)C[C@H](O)COc1ccccc1 6523150 MNXKPHJMSHXNDP-FQEVSTJZSA-N 384.520 3.640 0 40 GHAB COc1c(C)cccc1C(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1 6720853 ZOXMCENIADDOFS-UHFFFAOYSA-N 379.445 3.731 0 40 GHAB Cc1cc2occ(CC(=O)N3CCN(c4ncccn4)CC3)c2cc1C(C)C 6937319 DUHPNOLVLOSPJG-UHFFFAOYSA-N 378.476 3.546 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 6957176 ODNBUMRJIAKGHQ-MRXNPFEDSA-N 393.516 3.822 0 40 GHAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c2ccccc2n1 8088292 ZIELBDWLTADRGR-UHFFFAOYSA-N 397.500 3.824 0 40 GHAB COc1cc(CNC(=O)CSCc2ccccc2Cl)cc(OC)c1OC 8361608 NUDKDWRYSZHENA-UHFFFAOYSA-N 395.908 3.915 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1cc(C)ccc1C 8415060 DTQCXAYJKPPMOU-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB COc1cccc(CC(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c1 23919181 KISFCDRMOHSRPF-INIZCTEOSA-N 395.528 3.753 0 40 GHAB COc1cc(/C=C/C(=O)Nc2ccnn2Cc2ccsc2)cc(OC)c1OC 18933161 HGECZDLROOKSPE-SNAWJCMRSA-N 399.472 3.671 0 40 GHAB Cc1cccc(-n2c(SCC(=O)N3CCCCC3)nc3ccccc3c2=O)c1 1242855 MRRFXNNBCDZRHP-UHFFFAOYSA-N 393.512 3.799 0 40 GHAB O=C(CSc1nncn1C1CC1)N[C@@H](c1ccc(F)cc1)c1cccs1 9983731 FKMBHVVLRMEGGJ-KRWDZBQOSA-N 388.493 3.812 0 40 GHAB O=C1Nc2ccc(S(=O)(=O)Oc3cccc4cccnc34)c3cccc1c23 1773972 LTBCKJNWUOVJQO-UHFFFAOYSA-N 376.393 3.721 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1Br 3233443 IDUHOPAVYDYLLW-CQSZACIVSA-N 390.277 3.743 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2c(C)oc3ncn(C4CCCC4)c(=O)c23)cc1 35672402 FOQQDZRONMHUHB-UHFFFAOYSA-N 394.431 3.624 0 40 GHAB O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 3236100 AOCFJIRTWKQQPL-UHFFFAOYSA-N 397.356 3.819 0 40 GHAB CN(Cc1ccccc1)C(=O)COC(=O)c1cc(Br)ccc1Cl 3238449 UQYSPTAWNHQNDN-UHFFFAOYSA-N 396.668 3.918 0 40 GHAB CC[C@H](CNC(=O)CNC(=O)c1ccc(Br)s1)c1ccccc1 48242287 SNHVOWSPOVEDAR-GFCCVEGCSA-N 395.322 3.550 0 40 GHAB O=C([C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)N1CCc2ccccc2C1 48234416 LPVQJOZWLLEBJR-MRXNPFEDSA-N 388.389 3.643 0 40 GHAB CC(=O)c1ccccc1OCCOC(=O)c1cc(C)nc2c1cnn2C(C)C 10207421 WGVCGOCGGIWZPS-UHFFFAOYSA-N 381.432 3.759 0 40 GHAB Cc1cc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)ccc1F 12784177 FSQBTBLQSADWLK-CSKARUKUSA-N 380.463 3.702 0 40 GHAB Cc1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2 2299673 XSRHMWOOKAOCMJ-GFCCVEGCSA-N 384.505 3.990 0 40 GHAB CS(=O)(=O)N(Cc1ccn(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1F 174092109 HCNKDZZZXVXLHK-UHFFFAOYSA-N 397.834 3.770 0 40 GHAB O=C(NCc1csc(-c2ccccc2)n1)[C@H]1CCCN(C(=O)c2ccoc2)C1 28509235 ZPNPELDGABTTQH-INIZCTEOSA-N 395.484 3.572 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 28813487 HSBQTVBXJFLOEH-UHFFFAOYSA-N 389.404 3.837 0 40 GHAB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(OCC)cc1 2463682 LEMKYDZNWRPRQR-DOTOQJQBSA-N 388.489 3.687 0 40 GHAB COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(SC)cc1 2431661 DXBCPUKQNRCMTO-GOSISDBHSA-N 381.453 3.707 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)C[C@@H]1c3ccccc3C=CN1C(C)=O)OCO2 29761652 SZOJDYIOOWSRDD-LJQANCHMSA-N 392.411 3.521 0 40 GHAB COc1ccccc1NC(=O)CCCSc1nc2c3ccccc3ncn2n1 12863328 JCWDYOWCTZHJAO-UHFFFAOYSA-N 393.472 3.797 0 40 GHAB CCOc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 3455963 NGXSMVYGIRWKNT-UHFFFAOYSA-N 382.460 3.524 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 12944375 PNFLMCUUMBUAQV-KRWDZBQOSA-N 393.892 3.729 0 40 GHAB O=c1/c(=C/c2ccc(-c3ccccc3Cl)o2)sc2nc(-c3ccco3)nn12 3649373 IVFFCNVWSJOGGP-YBEGLDIGSA-N 395.827 3.872 0 40 GHAB COc1ccc(NC(C)=O)cc1N[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 13682859 QTZBKWIBVKIBSM-JTQLQIEISA-N 386.477 3.742 0 40 GHAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)c1C 408640503 IZKORFKSAOEQAE-GOSISDBHSA-N 394.471 3.860 0 40 GHAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1c(-c3cccc(O)c3)nnc21 5164103 MBRKZDFLTJPNNO-UHFFFAOYSA-N 376.807 3.798 0 40 GHAB CC(=O)N1CCC(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CC1 14092697 JKTJNWYGSVVDDG-UHFFFAOYSA-N 377.897 3.584 0 40 GHAB CC1(C)CC[C@H](NC(=O)c2ccc3c(=O)[nH]c(S)nc3c2)c2ccccc21 65587907 BROYXQWANHXWJB-INIZCTEOSA-N 379.485 3.754 0 40 GHAB CCC(=O)N1CCc2cc(C(=O)Nc3nc(-c4ccccc4)ns3)ccc21 65515446 WCVQWWLJNJTCJW-UHFFFAOYSA-N 378.457 3.757 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2c(C)cccc2C)cc1 5391514 RTJZCSIRAAXBKH-OAHLLOKOSA-N 381.505 3.961 0 40 GHAB CCCc1ccc(OCc2ccc(C(=O)N3N=CC[C@@]3(O)C(F)(F)F)o2)cc1 6462356 SLTVFKFHSJUMMT-GOSISDBHSA-N 396.365 3.894 0 40 GHAB Cc1cnc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)s1 14662437 DOYYNXIZYRKRDF-KBPBESRZSA-N 387.505 3.872 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 9154123 IHYMWRFBXISHFN-ACJLOTCBSA-N 387.842 3.886 0 40 GHAB C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1C 4816306 TWXRZGDSIBNJNF-OAHLLOKOSA-N 394.500 3.637 0 40 GHAB CCN(CC)c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 15269360 MNSPRUMDHZFPJC-UHFFFAOYSA-N 378.476 3.583 0 40 GHAB Cc1cccc(OC2CCN(c3nc(-c4ccccn4)nc4c3CCC4)CC2)n1 96011352 MQMGXOSHHRWNMD-UHFFFAOYSA-N 387.487 3.779 0 40 GHAB CCOC(=O)c1c(NC(=S)NCc2cccnc2)sc2c1CC[C@@H](C)C2 19797107 SBKYWVOOXYRQDK-GFCCVEGCSA-N 389.546 3.931 0 40 GHAB O=S(=O)(c1ccc(-c2csc(N3CCCC3)n2)cc1)N1CCCCC1 7643643 FQGYTHNXPWDIDU-UHFFFAOYSA-N 377.535 3.585 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1c2ccccc2CC[C@@H]1C 7906486 UESDDMNMZHWFDK-AWEZNQCLSA-N 385.895 3.544 0 40 GHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N[C@H]1CCSc2ccccc21 7988048 LQZAHHFLOHGWPE-IBGZPJMESA-N 393.512 3.757 0 40 GHAB CCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 19909497 MASYLZWZMGLGDV-UHFFFAOYSA-N 388.533 3.767 0 40 GHAB C[C@H](c1cccc(F)c1)N1CCN(C(=O)C[C@@H]2CCOc3ccccc32)CC1 95406663 OWEMCGSLUNAGMO-MJGOQNOKSA-N 382.479 3.987 0 40 GHAB O[C@H](CNCCc1c[nH]c2ccccc12)COc1cccc(Br)c1 89866613 XTOXRUNTWFANHU-MRXNPFEDSA-N 389.293 3.502 0 40 GHAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O 409160844 XLVNRDJOCYSQTL-MHWRWJLKSA-N 382.441 3.684 0 40 GHAB CCc1ccccc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408705432 FRHZTPKOMIMWKL-UHFFFAOYSA-N 378.469 3.573 0 40 GHAB COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccc(C)cc3)oc12 67293687 DDKOTJULWRHIHL-AIUXHPFZSA-N 392.455 3.891 0 40 GHAB CCCn1cc(CNc2nc(-c3cnn(CC)c3C)cc(C(F)F)n2)cn1 36618631 VYASKIQLWVQVTM-UHFFFAOYSA-N 375.427 3.825 0 40 GHAB CN(c1ccccc1C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccccc1 409338614 MZLJLUYCBHWDNU-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB CN(C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1)C1CCN(c2cnccn2)CC1 518921522 DBJOOBQHELMXEC-WKILWMFISA-N 399.926 3.686 0 40 GHAB C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 57291809 SVPYJARQTXVETR-ZDUSSCGKSA-N 379.838 3.767 0 40 GHAB COc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1Br 73634383 VSUHYNGTSQPCJO-UHFFFAOYSA-N 379.161 3.643 0 40 GHAB CC(C)n1ccc(-c2nnc(NC(=O)CCSc3ccc(F)cc3)o2)n1 38499326 VWVWXNBBZGCPRV-UHFFFAOYSA-N 375.429 3.774 0 40 GHAB COC(=O)c1cccc2c1CCCN2C(=O)c1cc(-c2ccc(F)cc2)on1 134420745 VTGHICIHHNXWDT-UHFFFAOYSA-N 380.375 3.860 0 40 GHAB COc1ccc(OCC(=O)Nc2ccc3c(c2)C(O)=Nc2cccnc2O3)cc1 79501161 KOCRHPRYETVUFS-UHFFFAOYSA-N 391.383 3.850 0 40 GHAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 72353836 RKNQOGWBVLDLSS-LJQANCHMSA-N 390.462 3.930 0 40 GHAB O=C(/C=C/c1c(F)cccc1F)Nc1ccccc1C(=O)NC[C@H]1CCCO1 40131804 WVMWWAXUAWSGHR-PLSXKVAHSA-N 386.398 3.526 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220451894 JGIHBNSUTMVGDB-ZDUSSCGKSA-N 396.459 3.881 0 40 GHAB Cc1ccc(S[C@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224707476 GTMIZUBLHWRVQM-GOSISDBHSA-N 384.545 3.624 0 40 GHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225712587 CLLCLXPGGFQJCR-CQSZACIVSA-N 390.530 3.992 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 223470201 YKZZKWQSHYMILS-SFHVURJKSA-N 382.504 3.571 0 40 GHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1CCc2ccccc21 225188548 KFGWOOQTPZHMSI-SFHVURJKSA-N 378.516 3.902 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1(c2cccs2)CCOCC1 77200799 WQMFQVPCHDCTRI-UHFFFAOYSA-N 399.491 3.766 0 40 GHAB CC[C@@H](NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1)c1ccccc1 224397770 PVUDFXGZOSGZBH-LJQANCHMSA-N 386.517 3.806 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 223090307 OCCNYBHJNHDESK-NRFANRHFSA-N 382.504 3.707 0 40 GHAB O=C(NCc1noc(C2CC2)n1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 577883514 OVJKXXIEMGNZJC-UHFFFAOYSA-N 383.427 3.657 0 40 GHAB CC(C)NC(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CCC1)c1ccccc12 96242165 LQIAZRDUIREBHR-KRWDZBQOSA-N 383.536 3.684 0 40 GHAB CC(C)CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(F)c(F)c2)c(O)n1 24747149 FUFBFZFANXZUIV-LLVKDONJSA-N 396.463 3.555 0 40 GHAB Cc1nc(Nc2cccc([C@@H]3CN(Cc4cnn(C)c4C)CCO3)n2)sc1C 257205853 BAVXQOGJXZPYSB-SFHVURJKSA-N 398.536 3.514 0 40 GHAB Cc1cccnc1C(=O)N1CCC[C@H](Cc2cc(-c3c(C)noc3C)ncn2)C1 257308868 TYODPQFCQGOJLE-QGZVFWFLSA-N 391.475 3.547 0 40 GHAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)NCCN(C)C)CCOCC3)cc2)c1 257256553 KLYNROFHYXEQPA-UHFFFAOYSA-N 394.559 3.988 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1 260455428 PKHGGAAZHHTFJD-MSOLQXFVSA-N 388.533 3.644 0 40 GHAB Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1cn(-c2ccccc2)cn1 651578048 BJQPZSGRTNRLCQ-LJQANCHMSA-N 385.471 3.835 0 40 GHAB C[C@H]1CN(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)CC[C@@H](C)O1 665834017 JJRMWECHMJKNNV-MSOLQXFVSA-N 395.503 3.690 0 40 GHAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1cc2cc[nH]c(=O)c2s1 648831963 SIYFJKSXTFHJLA-UHFFFAOYSA-N 397.500 3.707 0 40 GHAB CC[C@H](NC(=O)C(=O)Nc1ccc(Cn2ccnc2)cc1)c1ccc(Cl)cc1 84734037 CJZHZNSJFFQHMD-IBGZPJMESA-N 396.878 3.791 0 40 GHAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 107440386 JLNFXCUUIFHQIN-ZTFGCOKTSA-N 395.459 3.508 0 40 GHAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc4c(c3)CC(=O)N4)nnc12 5060073 FXRAXGSEVSJEBQ-YEJXKQKISA-N 394.500 3.516 0 40 GHAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccnc1 5687523 NUWGUNPUZGOKEK-HNNXBMFYSA-N 398.315 3.879 0 40 GHAB CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccc(OC)cc1 5853311 JUYQFEYWGCLNQK-HNNXBMFYSA-N 396.516 3.943 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@@H](C)Cn3ccnc3C)[C@@H]3CCCC[C@H]32)cc1 12128899 XPONAEOUUQYWOU-MCBQPRCJSA-N 381.520 3.925 0 40 GHAB CCCc1cc(C(=O)Nc2ncc(-c3ccc(Br)cc3)n2C)[nH]n1 12147195 XRAOOPNBGXZYCL-UHFFFAOYSA-N 388.269 3.778 0 40 GHAB C[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1ccc2cccc(Cl)c2n1 12147974 FXBYNMQPQOVQIR-CQSZACIVSA-N 384.863 4.000 0 40 GHAB COc1cc(C)c(-c2csc(NC(=O)c3cnc(N(C)C)nc3)n2)cc1C 12194535 QZRKCVABQFWBTG-UHFFFAOYSA-N 383.477 3.544 0 40 GHAB Cc1ccccc1Cn1cc(NS(=O)(=O)c2cccc3cccnc23)cn1 14224866 NJYBGUQNWYUJST-UHFFFAOYSA-N 378.457 3.589 0 40 GHAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 15976291 ZMLYYJORXUECGQ-LLVKDONJSA-N 378.222 3.642 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)c1 19078590 IZEOZLKQJYVFHR-RDTXWAMCSA-N 399.443 3.564 0 40 GHAB Cn1nccc1C(=O)NC1CCN(C[C@H](c2ccccc2)C2CCCCC2)CC1 19289194 RVOWPUJMRRIQEU-JOCHJYFZSA-N 394.563 3.978 0 40 GHAB CN(CCc1ccccn1)c1ncc(-c2ccccc2F)c(-c2nccn2C)n1 19291577 XBHUVXGCINLRHR-UHFFFAOYSA-N 388.450 3.757 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H](C)Cn2cc(Cl)cn2)c1 19457312 SMGAZKLTLSZNBX-SUMWQHHRSA-N 377.872 3.554 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2COc3c(cccc3OC)C2)c(OC)c1 19552098 MXTKRHCOKICTGL-VQIMIIECSA-N 397.471 3.627 0 40 GHAB Cc1ccc(-c2csnn2)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 19661665 QUYCREPOABHXDZ-INIZCTEOSA-N 392.484 3.814 0 40 GHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)cc1NC(C)=O 19684186 UPQBAFXNISAOJN-UHFFFAOYSA-N 390.505 3.598 0 40 GHAB CCn1ccc(C(=O)N2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCCN3C)n1 19713054 JTPSODPSQAOWJR-FCEUIQTBSA-N 380.536 3.603 0 40 GHAB O=S(=O)(CCSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1 11300545 SLNLCXPQBYUFCF-UHFFFAOYSA-N 385.470 3.784 0 40 GHAB O=C(NCc1ccccc1)c1cc2ccccc2cc1OCC(=O)N1CCCC1 5468770 XKJCERDCJKSHPZ-UHFFFAOYSA-N 388.467 3.771 0 40 GHAB O=S(=O)(Nc1ccccc1Br)c1ccc2nc(O)sc2c1 2502339 NLJHAHCBSGUWAI-UHFFFAOYSA-N 385.264 3.565 0 40 GHAB CCc1cccc(CC)c1-n1c(S)nnc1CNC(=O)c1cccc(F)c1 4059216 XNVPNLSRKCMPNR-UHFFFAOYSA-N 384.480 3.750 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)c1cccn(OCc2ccccc2F)c1=O 4326144 HWGCHTMJAZMYHL-UHFFFAOYSA-N 390.773 3.661 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2ccccc2s1 5189345 ZMXSAOCRQAOFTO-UHFFFAOYSA-N 380.878 3.752 0 40 GHAB Cc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 9659273 YAEQFJYLVUJGJJ-UHFFFAOYSA-N 395.440 3.614 0 40 GHAB Cc1cccnc1OCC1CCN(C(=O)c2cc(-c3ccccc3)nn2C)CC1 1775970046 YIXWYMXRCFXALD-UHFFFAOYSA-N 390.487 3.722 0 40 GHAB Cn1nc(NC(=O)c2cccc3ccccc23)c2c1NC(=O)C[C@H]2c1ccco1 35597903 ZABUTTRVFQPZIB-INIZCTEOSA-N 386.411 3.893 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cc4ccccc4[nH]3)n2)C1 35598431 HOJJRWJLFRMHES-CQSZACIVSA-N 383.473 3.707 0 40 GHAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H](Oc2ccncc2Cl)C1 575611648 FIJTXOJMSOIIQE-SNVBAGLBSA-N 393.317 3.682 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575609470 LSCIYHJKVGPPNC-OAHLLOKOSA-N 399.800 3.761 0 40 GHAB Cc1nc(COc2ccccc2)sc1C(=O)N1CCN(c2ccccc2)CC1 36107943 KWPRSCUOZJICJV-UHFFFAOYSA-N 393.512 3.993 0 40 GHAB CC(C)CCC[C@@H](C)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 12898932 CNINMTWLCWRECU-QGZVFWFLSA-N 399.535 3.833 0 40 GHAB biogenic C[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)C(c1ccccc1)c1ccccc1 31381101 XWFVQQZBPQVXTN-KRWDZBQOSA-N 390.458 3.892 0 40 GHAB O=C(CSCc1cccs1)Nc1cccc(OCC(=O)N2CCCC2)c1 40090621 MWUCQKXVCZILLH-UHFFFAOYSA-N 390.530 3.621 0 40 GHAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(O)c(OC)c2)c(OC)c1 40266627 DJCDKCXQKDQWBF-CQSZACIVSA-N 395.415 3.727 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)N2CCCSc3ccccc32)CC1=O 32675989 OQUCSBZMTJMKQQ-OAHLLOKOSA-N 382.485 3.577 0 40 GHAB COc1ccc(OC)c2c1CN(c1ncc(C(F)(F)F)cc1Cl)C[C@@H]2O 32808462 GRAUQWGEVAGOPJ-LBPRGKRZSA-N 388.773 3.825 0 40 GHAB CC(=O)N1C[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)Oc2ccccc21 32883688 CDDCCRDUEWMRTN-UXHICEINSA-N 386.879 3.967 0 40 GHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 32913121 KVFBGLCNVCBVLE-UKRRQHHQSA-N 376.863 3.705 0 40 GHAB COc1ccc(CNn2c(C)nnc2SCc2ccccc2F)cc1OC 623753 KKFCHVZLJISHMV-UHFFFAOYSA-N 388.468 3.779 0 40 GHAB COc1ccccc1O[P@](C)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 680242 YCWXMFMYEWLQAY-MHZLTWQESA-N 387.376 3.807 0 40 GHAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccco2)sc2c1CC[C@H](C)C2 827361 MHHNMVKYMMQDOZ-JTQLQIEISA-N 392.502 3.769 0 40 GHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCCC[C@@H]1C 904822 RWWPWVDMGKBZQQ-INIZCTEOSA-N 388.537 3.679 0 40 GHAB CNC(=S)N(Cc1ccco1)Cc1cc2cc(C)c(Cl)cc2[nH]c1=O 931564 JHRSALIZBNRQPY-UHFFFAOYSA-N 375.881 3.589 0 40 GHAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(Br)cc1C 1019360 MPFRQTZZLZDGBR-UHFFFAOYSA-N 378.222 3.562 0 40 GHAB Cc1cc(=O)oc(C)c1C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 2292536 PSNJXMCBXCMJOT-UHFFFAOYSA-N 379.290 3.634 0 40 GHAB CC(C)(C)OC(=O)Nc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 2386121 XDYRQXPKQWQRQK-CQSZACIVSA-N 380.441 3.554 0 40 GHAB Nc1cc(Cl)ccc1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 3254934 SLBMNBRUCNLTSY-UHFFFAOYSA-N 394.858 3.985 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N(C)C3CCCCC3)o2)c1 3284222 RENGGFLKENPLFI-UHFFFAOYSA-N 375.494 3.840 0 40 GHAB OC[C@H]1CCCN(c2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)C1 3329325 BXAKVIGIBTZYPB-AWEZNQCLSA-N 380.517 3.841 0 40 GHAB O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1c[nH]c2ccccc12 3527714 ANCSGGINKFNZOM-OAQYLSRUSA-N 392.436 3.523 0 40 GHAB CCOC(=O)c1cn2c(n1)C=C[C@H]1C(C(F)(F)F)=CC(C(F)(F)F)=N[C@H]12 3883250 SQSDNQBEMPGWDM-MADCSZMMSA-N 379.260 3.707 0 40 GHAB COc1cccc2sc(N(CCN(C)C)C(=O)/C=C/c3cccs3)nc12 4359252 NCAHHWJQYKFKDX-MDZDMXLPSA-N 387.530 3.974 0 40 GHAB COc1cccc(C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)c1 4374732 FHRQHBCYUIAHFY-UHFFFAOYSA-N 396.447 3.578 0 40 GHAB COc1ccc(C2=NO[C@H](C(=O)Nc3ccccc3C(F)(F)F)C2)cc1OC 5031178 RXJGYWRHRVYQDR-KRWDZBQOSA-N 394.349 3.854 0 40 GHAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1ccc(Br)o1 5099276 SFPANAATFFSMRS-UHFFFAOYSA-N 389.249 3.984 0 40 GHAB COc1ccc2c(CC(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cn3)coc2c1 6543152 OAEXAXNIJFGUTR-LLVKDONJSA-N 388.807 3.603 0 40 GHAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 6553494 LXIMGBSTRAYIAD-UHFFFAOYSA-N 387.770 3.769 0 40 GHAB O=C(NCc1cccc(Cl)c1)c1nn(-c2ccccc2)c(=O)c2ccccc12 6785298 NDCLVLASXURTSS-UHFFFAOYSA-N 389.842 3.969 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(N)=O)cc1 7031780 FKVVKAHYNAQNGC-VIFPVBQESA-N 397.656 3.607 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)Cn3c(C)cc4ccccc43)CC2)cc1 7962361 YMPIGRYKFNLGLS-UHFFFAOYSA-N 375.472 3.501 0 40 GHAB O=C(Cn1nnc(-c2ccccc2)n1)N1c2ccccc2OC[C@@H]1c1ccccc1 8266926 UUBNLPHQQPKWNN-HXUWFJFHSA-N 397.438 3.507 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 8278989 OAWCUDYDPRMUGG-NSHDSACASA-N 387.288 3.607 0 40 GHAB COc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccccc2)CC3=O)cc1 8608670 PWVASNYPPPAELI-HNNXBMFYSA-N 388.423 3.549 0 40 GHAB CCc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)nnn1-c1ccccc1 8715192 YLBMCWIKGUTCJF-UHFFFAOYSA-N 376.338 3.981 0 40 GHAB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccccc1 8748619 HBMRYXPRZXUAOS-OAHLLOKOSA-N 379.437 3.519 0 40 GHAB O=C(NCCSCc1ccco1)C1CCN(Cc2ccccc2F)CC1 9063492 XCMBULMMFBBLKY-UHFFFAOYSA-N 376.497 3.680 0 40 GHAB C[C@@H](CCc1ccco1)NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 9256349 FWHSLURAXXBOQM-KRWDZBQOSA-N 392.455 3.939 0 40 GHAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(C)c(F)c1 9913316 XPISIHQYIMGQPX-KRWDZBQOSA-N 390.480 3.633 0 40 GHAB COc1ccc(S(=O)(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 10029721 YHPDEFLGAVCMLH-UHFFFAOYSA-N 388.272 3.805 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C)cc1OC 10302674 LLTFFANJLXLDBY-UHFFFAOYSA-N 375.475 3.536 0 40 GHAB Cc1ccc(C)c(N([C@@H](C)C(=O)NC2CCCCCCC2)S(C)(=O)=O)c1 10434074 KNIYJUBFFURVOP-KRWDZBQOSA-N 380.554 3.687 0 40 GHAB COc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1N1CCCC1=O 11257056 VSMZAMVQQPVWMJ-UHFFFAOYSA-N 382.313 3.631 0 40 GHAB COc1ccc(N2C[C@H](C(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1Cl 11866005 TXRREXXRAOTNQW-CQSZACIVSA-N 386.835 3.543 0 40 GHAB COc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc(OC)c1OC 12116160 QUUBVSOLUAEIGN-KRWDZBQOSA-N 395.459 3.956 0 40 GHAB Cc1cn2c(/C=C/C(=O)NCc3cccc(NC(=O)C4CC4)c3)c(C)nc2s1 12507194 MWGHWVLCNGENSB-CMDGGOBGSA-N 394.500 3.691 0 40 GHAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2c(C)nn(C)c2C)c(OC)c1 12542124 VOXIJHFEQYYXKX-OAQYLSRUSA-N 392.459 3.825 0 40 GHAB CC(C)(C)c1ccc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1 12549547 GLNWOIONPKGAFD-IBGZPJMESA-N 391.475 3.591 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)CN2C(=O)COc3ccccc32)cc1 12698334 DMMBTRUIYSGPSU-LJQANCHMSA-N 394.471 3.565 0 40 GHAB Cc1ccccc1Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O 12741111 QFECJHXPIAPGMJ-UHFFFAOYSA-N 384.361 3.958 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(C2SCCS2)c1 12868967 BFFYQSTZGJCSAC-UHFFFAOYSA-N 383.498 3.514 0 40 GHAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC(C(=O)Nc2ccccc2)CC1 12930859 OEUHYXRXYSVUGK-CQSZACIVSA-N 387.430 3.643 0 40 GHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCCN(C)Cc1ccccc1 12984792 MJLNSZNPUDXEBT-UHFFFAOYSA-N 379.508 3.573 0 40 GHAB COC(=O)c1cc(NC(=O)CCc2cc(OC)ccc2OC)ccc1Cl 13022917 PSLSEVBVJFYEKJ-UHFFFAOYSA-N 377.824 3.715 0 40 GHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc2c3c(cccc13)CC2 14249816 ZGWLNBMLVSQLIG-FQEVSTJZSA-N 392.524 3.803 0 40 GHAB CC(=O)N(c1nc(CSc2nnnn2C(C)C)cs1)c1ccccc1F 16453366 ZGUWNFLZQLCNKS-UHFFFAOYSA-N 392.485 3.827 0 40 GHAB CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCC[C@@H](C)C3)c(O)n2n1 16690053 SFPWLMHEFAJCJB-CXAGYDPISA-N 386.521 3.889 0 40 GHAB C[C@@H](NCC(=O)NCCOc1ccccc1)c1cc(F)c(Cl)cc1Cl 16695803 JLFCGNPLKACGSH-GFCCVEGCSA-N 385.266 3.978 0 40 GHAB CC(=O)c1ccc(NC(=S)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 17517907 MQSIQXIVUMFBNB-KRWDZBQOSA-N 381.501 3.937 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCCSc1ccccc1 18214324 MVLCKBTXDJPRLO-UHFFFAOYSA-N 379.407 3.964 0 40 GHAB Cc1nccn1CC1(O)CCN(C(=O)[C@H](c2ccccc2)C2CCCCC2)CC1 19287795 COVDCNNRIKXTSA-JOCHJYFZSA-N 395.547 3.909 0 40 GHAB Cc1c(C(=O)NC2CCN(C[C@@H](c3ccccc3)C3CCCC3)CC2)cnn1C 19553445 FMABBGNGQOGHPE-QHCPKHFHSA-N 394.563 3.897 0 40 GHAB Cc1ccc(C)c(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)c1 19809327 SIFWVDUZFMMREL-RMKNXTFCSA-N 377.532 3.963 0 40 GHAB COc1cc2ccccc2cc1C(=O)NCc1ccc(OC)c(OC)c1OC 20486190 CPKHOBCIEBAYOF-UHFFFAOYSA-N 381.428 3.804 0 40 GHAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccccc2OC)CC1 20488399 SORMWYINMOCBHT-SFHVURJKSA-N 388.895 3.855 0 40 GHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 22446619 BJWLIQNCLGRWFV-MZURWIMNSA-N 388.596 3.643 0 40 GHAB COc1ccc(NC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1Cl 22567660 XWDUNGDQYANPOJ-UHFFFAOYSA-N 386.835 3.672 0 40 GHAB O=C(NC[C@@H](c1cccc2ccccc12)N1CCOCC1)c1ccc(F)cc1 23106423 YEWIIUSJNPGNGQ-QFIPXVFZSA-N 378.447 3.782 0 40 GHAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(-c3nc4ccccc4[nH]3)cc1)CS2 23680313 OKMMKRAUOPKPLG-LAUBAEHRSA-N 392.484 3.622 0 40 GHAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cc(Cl)c2c(c1)OCCO2 24390014 NCEDBKXESIHLSJ-UHFFFAOYSA-N 386.879 3.637 0 40 GHAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c(C)c1 24748045 VIZREKQWYZGPIX-HNNXBMFYSA-N 394.427 3.834 0 40 GHAB Cc1ccc(/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1 26966098 FKVIWJADXLMIBS-AQTBWJFISA-N 375.497 3.972 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2ccccc2Cl)c1 27947070 IXROKAFMWADPLL-UHFFFAOYSA-N 388.272 3.601 0 40 GHAB C[C@@H]1Cc2cc(S(=O)(=O)NC3CCCCC3)ccc2N1C(=O)c1ccccc1 28206764 MCOJRMZWFIGUTK-MRXNPFEDSA-N 398.528 3.889 0 40 GHAB Cc1nc(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)sc1CC(N)=O 32330667 PJPSSBSPJODGBB-HNNXBMFYSA-N 397.953 3.888 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)C1(c2ccc3c(c2)OCCO3)CCCC1 32409865 UUGCFNPDJUWILI-SFHVURJKSA-N 379.456 3.910 0 40 GHAB CCOc1ncccc1CNC(=O)N[C@H](C)c1cnn(-c2ccc(C)cc2)c1C 32803593 JDBDDIPWJJNOCY-MRXNPFEDSA-N 393.491 3.843 0 40 GHAB COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3cccs3)n2)cn1 35425448 XXKPSNYUYCEFJA-INIZCTEOSA-N 386.477 3.555 0 40 GHAB biogenic,in-vitro COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2Br)N1 36025432 QXOOUBWXLCUYFT-SJORKVTESA-N 385.261 3.707 0 40 GHAB biogenic O=C(CCc1cccc(Cl)c1Cl)NCc1ccc(Cn2cncn2)cc1 36397426 KGWJNLNWXNGPQS-UHFFFAOYSA-N 389.286 3.882 0 40 GHAB Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4cccs4)CC3)n2)cc1 37176670 DESFCCWKGSOTHO-HNNXBMFYSA-N 382.489 3.626 0 40 GHAB CCN(CC)C(=O)[C@@H](C)NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 40105168 SXYOXJBEFGWQHK-MXMFLMJRSA-N 376.806 3.745 0 40 GHAB Cc1cnc(C(=O)N(Cc2ccc(C)s2)c2ccc3c(c2)OCCO3)cn1 41881816 PHQFURUJABBJCE-UHFFFAOYSA-N 381.457 3.773 0 40 GHAB CC(C)[C@@H](CNC(=O)c1ccccc1SC[C@H]1CCCO1)N1CCCC1 42555605 SEVKKHPCMCBKBA-IEBWSBKVSA-N 376.566 3.808 0 40 GHAB CCN(CC)Cc1nc(C2(NC(=O)c3ccc4ccccc4n3)CCCC2)no1 48324022 KHSVMJFTZFSGDR-UHFFFAOYSA-N 393.491 3.659 0 40 GHAB C[C@H]1CCCCN1CCNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 48341258 LPXFXIRPCKTMPM-KRWDZBQOSA-N 378.476 3.737 0 40 GHAB C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 57136964 KBOQISMLELHQDA-QGZVFWFLSA-N 380.488 3.547 0 40 GHAB O=C(NC1CC1)[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 57568197 QEHOJHMFOMPZHD-QGZVFWFLSA-N 382.357 3.834 0 40 GHAB CC(C)(C)c1cnc(CN2CCCN(C(=O)c3ccccc3Cl)CC2)o1 58196096 GPTXXVJTAOZBOI-UHFFFAOYSA-N 375.900 3.974 0 40 GHAB CC(C)(C)OC(=O)NC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 58222998 YGFHRLARZJDXIQ-IRXDYDNUSA-N 378.900 3.959 0 40 GHAB O=c1[nH]c(CNc2ccc(Br)cc2)nn1CCCc1ccccc1 61720495 JUMGCLMEGNQSKP-UHFFFAOYSA-N 387.281 3.579 0 40 GHAB CN(C(=O)/C=C/c1ccc2c(c1)OCO2)[C@H](c1ccc(F)cc1)c1ncccn1 66798663 QFKMGFRHKASSPO-LEWSRZTGSA-N 391.402 3.606 0 40 GHAB Cc1cc2nc(SCC(=O)Nc3ccccc3)n(CCC(C)C)c(=O)c2[nH]1 67238095 YDJAHGAOEQUCLI-UHFFFAOYSA-N 384.505 3.810 0 40 GHAB CC(C)CS(=O)(=O)CC(=O)N[C@H](C)c1ccccc1Oc1ccccc1 72070412 BPYICVPCBJFZOP-MRXNPFEDSA-N 375.490 3.727 0 40 GHAB COc1cccc(OC)c1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72221456 MCFCLRQIILVZID-QGZVFWFLSA-N 375.490 3.928 0 40 GHAB O=C(CN1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1)N1CCCC1 72348786 DCKGEGBVFXDZEI-IBGZPJMESA-N 381.495 3.613 0 40 GHAB CS(=O)(=O)c1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1 72405350 JKVXTBBOAFBRHK-HNNXBMFYSA-N 387.486 3.520 0 40 GHAB CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3ccc(S(C)(=O)=O)nc3)cc2C1 89642971 ALZWBACUBDUGNT-ZDUSSCGKSA-N 392.546 3.950 0 40 GHAB CC(C)c1cc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nc(C(C)C)n1 90070285 ZXHWIZCNXFVLRT-AWEZNQCLSA-N 376.526 3.568 0 40 GHAB O=C(c1cc(C2CC2)on1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607581 VTYYPYVMGVFHCZ-UHFFFAOYSA-N 381.354 3.649 0 40 GHAB COCCCNC(=O)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn23)n1 96038126 WSZWSPCRHDROPT-UHFFFAOYSA-N 392.434 3.697 0 40 GHAB CCc1ccc(NC(=O)N2C[C@H]3CC[C@@]4(N=C(C)N(CC5CC5)C4=O)[C@H]3C2)cc1 96261473 DVQNJBBDJAAFAV-QMHWCDLVSA-N 394.519 3.532 0 40 GHAB COc1ccccc1NC(=O)O[C@H]1COCCN(c2nc3ccccc3s2)C1 96296508 UXWSOQNKQKGMIL-CQSZACIVSA-N 399.472 3.759 0 40 GHAB biogenic,in-vitro COc1ccc(OC)c(C2=NO[C@H](C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)C2)c1 101492368 QDWFYOUSITXXTD-OSGPJOMKSA-N 386.492 3.624 0 40 GHAB CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)CC2=O)cc1 103716239 YJQPECSLNAJDPW-SFHVURJKSA-N 378.472 3.954 0 40 GHAB Cc1noc(-c2ccc(N3CCC[C@H](C(=O)N[C@H](C)c4cccs4)C3)nc2)n1 106877072 LOUIPDYPUXXXNY-CJNGLKHVSA-N 397.504 3.595 0 40 GHAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1cc(Cl)ccc1N1CCCC1 108062311 SHXNKKCGZDKLMU-JYJNAYRXSA-N 389.927 3.821 0 40 GHAB CCOc1cccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c1 113956175 ZMVFEGREOGFFNA-UHFFFAOYSA-N 390.505 3.579 0 40 GHAB Cc1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CCC[C@H](C(=O)O)C2)n1 217362115 MAEHRBYJUKZIBG-LBPRGKRZSA-N 380.370 3.848 0 40 GHAB COc1cccc(OCC(=O)NCCSCc2c(F)cccc2Cl)c1 222788393 KBCNKCARSFWTDD-UHFFFAOYSA-N 383.872 3.916 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)cc1 224175333 SNTDYPCDMFTWPS-FQEVSTJZSA-N 396.531 3.872 0 40 GHAB COc1ccc([C@@H](C)NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 224432294 SHNTUGGJRQRIIK-CQSZACIVSA-N 375.490 3.622 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 224666763 RXNHIEVXMWSIMK-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225676983 NNHJRQUWPXHMRR-AWEZNQCLSA-N 379.334 3.944 0 40 GHAB NC[C@H]1CC[C@H]([C@@H](NC(=O)Cc2ccc3c(c2)CCCO3)c2ccccn2)CC1 257279788 OIEHKWBCXONTLX-ROMRWMGNSA-N 393.531 3.572 0 40 GHAB O=C(NCc1cccnc1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257309241 UAEGVAMUISXUGQ-UHFFFAOYSA-N 387.483 3.799 0 40 GHAB CC[C@@H](O)Cn1nc(-c2cc(CC(=O)O)ccc2OC)cc1-c1cccc(F)c1 257343966 ZVDGQBASWKBVPA-QGZVFWFLSA-N 398.434 3.763 0 40 GHAB COc1cc(N2CCCC[C@@H]2C)nc(NC(=S)N[C@H](C)c2ccccc2)n1 260720696 SWFQCKXNXVXKDY-LSDHHAIUSA-N 385.537 3.912 0 40 GHAB O=C1C[C@H]2N(CC3CC3)CC[C@]2(c2ccccc2)CCN1Cc1ccccn1 306128890 HNTYLAAEHVELCQ-ISKFKSNPSA-N 375.516 3.626 0 40 GHAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1c(C)cccc1C 408643440 BABXXUDCRFDQTM-UHFFFAOYSA-N 382.460 3.766 0 40 GHAB CCOCc1ccc(NC(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1 438863279 VYKKYCZBEWHWQU-OAQYLSRUSA-N 381.520 3.909 0 40 GHAB FC(F)(F)COc1ccc(Cc2noc(-c3noc4c3CCCC4)n2)cn1 562482206 BAEGYWBVZSUAOG-UHFFFAOYSA-N 380.326 3.530 0 40 GHAB Cn1ccnc1[C@H]1C[C@H](NC(=O)Nc2ccc3c4c(cccc24)CC3)CCO1 562589451 VHCULAFDOVQBOL-VQIMIIECSA-N 376.460 3.714 0 40 GHAB O=C(N[C@@H](C1CC1)C(F)(F)F)c1cnnn1-c1c(Cl)cccc1Cl 562899954 WMCNKIPWWHJLAL-LBPRGKRZSA-N 379.169 3.645 0 40 GHAB Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCC(c4nc(O)n[nH]4)CC3)c2c1 571600664 AEAGLUISYBEQJG-UHFFFAOYSA-N 391.475 3.573 0 40 GHAB Cc1c(C(=O)NCC[C@@H]2CCc3ccccc32)nnn1-c1cccc2cnccc12 572573985 SFWDVUMZPCIWDM-SFHVURJKSA-N 397.482 3.974 0 40 GHAB Cn1cc([C@@H]2CN(C(=O)CSc3ccc(F)cc3)Cc3ccccc32)cn1 575621140 YDVZPJAYTYYPJP-FQEVSTJZSA-N 381.476 3.826 0 40 GHAB COCC(=O)Nc1cccc(CNC(=O)N2CCC[C@H]2c2c(C)cccc2C)c1 585094345 MNNNYAXHCIBVTC-FQEVSTJZSA-N 395.503 3.935 0 40 GHAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccc(Cl)s1 585147831 AQVAKOFZFKIOTG-ZDUSSCGKSA-N 383.878 3.673 0 40 GHAB Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3cn(C)cn3)cs2)cc1 585293992 CJGNTWPTKGEAIU-SFHVURJKSA-N 381.505 3.774 0 40 GHAB O=C(Nc1ccccc1F)Nc1cccc2c1CCN([C@@H](C(=O)O)C1CC1)C2 635016838 PNDDVKNSBANGEF-LJQANCHMSA-N 383.423 3.691 0 40 GHAB O=C(NCCc1ccc(C2CCCCC2)cc1)NC1CCN([C@@H]2CCOC2)CC1 661527257 PVGNVECWZUHKKM-HSZRJFAPSA-N 399.579 3.829 0 40 GHAB O=C(NCc1ccc(Br)s1)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 663694842 YPNMNELBRMTYJA-VHDGCEQUSA-N 381.270 3.787 0 40 GHAB Cc1cccn(Cc2c(F)cccc2NC(=O)Nc2cc3n(n2)CCCC3)c1=O 685097080 VNEPPAHLHNJIDX-UHFFFAOYSA-N 395.438 3.521 0 40 GHAB O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cc(C(F)(F)F)ccn1 1529681889 HBNTWOSDNPGCBD-UHFFFAOYSA-N 396.756 3.776 0 40 GHAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@H](c3ccc4c(c3)OCO4)C2=C1O 1547208833 GTOVIDSGLNQPSK-IBGZPJMESA-N 387.395 3.746 0 40 GHAB CN(CC1CCN(C(=O)C2CC(F)(F)C2)CC1)c1cc(C(F)(F)F)ccn1 1888843386 XAIOFGWKSXBOQD-UHFFFAOYSA-N 391.384 3.821 0 40 GHAB Cc1nc(C(C)(C)C)nc(N2CCN(c3nc4cnccc4s3)CC2)c1F 1888899273 FBJNUZSVXFIOCX-UHFFFAOYSA-N 386.500 3.553 0 40 GHAB O=C(CCn1cnc2ccccc2c1=O)N[C@H](c1ccccc1)c1cccs1 12272790 WAVBPBOWLWANSL-OAQYLSRUSA-N 389.480 3.754 0 40 GHAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 22131428 OFDBFRCFVYUQNT-NSHDSACASA-N 389.864 3.737 0 40 GHAB Cc1ccc(C)c(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccn2)c1 1362496 VXGXOFWEQZRCIA-UHFFFAOYSA-N 393.516 3.661 0 40 GHAB COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(OC)c4)C3)n2)cc1 1362861 YVAVNLOWFPEDRM-KRWDZBQOSA-N 393.443 3.774 0 40 GHAB O=C(Nc1cccc2cccnc12)C1(S(=O)(=O)c2ccccc2)CCCC1 22277186 NGRBBJRPDILLTP-UHFFFAOYSA-N 380.469 3.960 0 40 GHAB COc1cc(NC(=S)NC(=O)c2ccc(C)cc2)ccc1NC(=O)C(C)C 6546374 BBADAEMEPUMBFJ-UHFFFAOYSA-N 385.489 3.725 0 40 GHAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)NCc2cccs2)cs1 6681778 KDNYGZWSHXCUGH-UHFFFAOYSA-N 392.527 3.849 0 40 GHAB O=C(CCCOc1ccccc1)Nc1ccccc1C(=O)NCc1cccnc1 7505049 IDXLCKNHBZNPRS-UHFFFAOYSA-N 389.455 3.809 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 8241548 VAMGJTYNDQXCNY-WMLDXEAASA-N 381.501 3.820 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2cccc(Cl)c2C)n1 8476665 IRCGPEBZCRXIPT-UHFFFAOYSA-N 398.894 3.971 0 40 GHAB Cc1[nH]c2ccc(C(=O)NCc3ccccc3CN3CCOCC3)cc2c1C 23845390 NDBNSBMENLDMMX-UHFFFAOYSA-N 377.488 3.547 0 40 GHAB O=C(NCCc1nc2ccccc2[nH]1)c1ccc(NC(=O)c2ccccc2)cc1 42814548 YUDONBQXQCKXLP-UHFFFAOYSA-N 384.439 3.788 0 40 GHAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)cc1C 1320395 WOTBGMDZCXXFJS-LJQANCHMSA-N 388.261 3.787 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(F)ccc3C)C2)s1 24928404 LCPDFOBHNNAIAM-AWEZNQCLSA-N 396.509 3.543 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c(C)c1 25055401 DYYHNLCQTPWVAL-MRXNPFEDSA-N 392.546 3.713 0 40 GHAB O=C(Nc1ccc(Br)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 25506089 XOUAKEUTCRBTJX-INIZCTEOSA-N 389.249 3.819 0 40 GHAB Cc1ccc(S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cn2)cc1C 62006681 KKLQXRWCTCOXML-UHFFFAOYSA-N 398.459 3.600 0 40 GHAB CC(C)Oc1ccccc1NC(=O)N1CCC(NC(=O)c2cccs2)CC1 56648607 FBYLOPUQRXIVGX-UHFFFAOYSA-N 387.505 3.962 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ncnc2sc3c(c12)CCCC3 3289718 YZCCROSBDKTWPK-ZDUSSCGKSA-N 379.485 3.927 0 40 GHAB O=C(Cc1ccc2ccccc2c1)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 26559615 NGFQARIRFRIXSA-HSZRJFAPSA-N 389.451 3.526 0 40 GHAB Cc1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 25390258 WRUDFWSFANCBJO-OAHLLOKOSA-N 392.425 3.558 0 40 GHAB O=C(Cn1nnc2ccccc21)N1N=C(c2cccs2)C[C@H]1c1cccs1 12686326 WUWUAHJXRSGVMU-INIZCTEOSA-N 393.497 3.932 0 40 GHAB CCN1CCN(c2cc3sc(-n4nc(C)cc4C)nc3cc2Cl)CC1 57332267 BVIQJBNNOVPFAC-UHFFFAOYSA-N 375.929 3.894 0 40 GHAB COc1cc(Cl)ccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1F 12682254 XDPUOBYUFRYKHM-QGZVFWFLSA-N 389.814 3.754 0 40 GHAB COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2o1 58179561 GCZNSNTUENZOOX-HNNXBMFYSA-N 398.484 3.758 0 40 GHAB CSc1ccc(Cl)c(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1 12781283 PWDXGXFYHDNARG-UHFFFAOYSA-N 396.921 3.755 0 40 GHAB CCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1cc(C)cc(C)c1 57488319 FVGPVJCSBNPGTG-UHFFFAOYSA-N 387.530 3.682 0 40 GHAB CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2ccsc2c1=O 27818437 WVJCTMAXRUPPFR-UHFFFAOYSA-N 389.502 3.526 0 40 GHAB CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccncc1 3367554 OUCUVOZMQKBMGU-GOSISDBHSA-N 393.516 3.646 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[C@H](CN(C)CC2CC2)C1 72308994 NLOUWRGGBHCEKD-UKRRQHHQSA-N 384.351 3.984 0 40 GHAB Clc1ccc(OCc2nc(CSc3nnnn3C3CC3)cs2)cc1 10578912 SUMIVBONXLAORG-UHFFFAOYSA-N 379.898 3.989 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(Cl)nc3ccccn13)CC2 3357071 YDFBUXUCKUQTDC-VOTSOKGWSA-N 397.862 3.603 0 40 GHAB CCOC(=O)[C@@](NC(=O)[C@H](C)CC)(Nc1cccc(Cl)c1)C(F)(F)F 2311847 CUKRKFBZOHBYGL-BMIGLBTASA-N 380.794 3.736 0 40 GHAB O=C(NCCCSc1ccccc1)Nc1ccc(-c2nnnn2C2CC2)cc1 48340276 DRMXWFHAKGYSJR-UHFFFAOYSA-N 394.504 3.979 0 40 GHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc3ccccc3oc2=O)c1 48356369 ZWVCOJXGKPZQSP-AWEZNQCLSA-N 378.428 3.708 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(CSc2ccc3c(c2)OCCO3)n1 3489499 FITLGNDMFHHIQH-UHFFFAOYSA-N 381.461 3.569 0 40 GHAB O=C([C@H]1Cc2ccccc2O1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 29476772 YQHNKALGCHOPDR-MAUKXSAKSA-N 380.469 3.812 0 40 GHAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)NCc1ccc(F)cc1 3433485 VJPGLWSJVXPDEZ-RMKNXTFCSA-N 381.325 3.717 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1 60483283 YIQSXOPUNOXWQG-HZPDHXFCSA-N 376.928 3.739 0 40 GHAB O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 12905635 SDHPXAWLKBPJGX-NOZJJQNGSA-N 392.830 3.944 0 40 GHAB CCc1ccc(C2=NN=C(NCCc3ccc(OC)c(OC)c3)SC2)cc1 13062785 NJYCGGFVZHWZLT-UHFFFAOYSA-N 383.517 3.905 0 40 GHAB CN(C)[C@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)Cc1ccccc1 13018599 LRPKUEJNSIYFDW-NRFANRHFSA-N 388.515 3.652 0 40 GHAB O=C(NCCCn1ccc2ccccc21)Nc1cc(C(F)(F)F)c[nH]c1=O 63161969 ANUHJTACJCVFJD-UHFFFAOYSA-N 378.354 3.560 0 40 GHAB C[C@H]1CCc2c(sc3ncnc(OCC(=O)NCCc4ccc(F)cc4)c23)C1 6199893 BVIHDNGAOMEFSP-ZDUSSCGKSA-N 399.491 3.693 0 40 GHAB CC(C)c1noc(-c2ccc(-n3cnc(C(=O)NC4CCCCC4)c3)nc2)n1 65251170 SHOBFKJCIIYLQE-UHFFFAOYSA-N 380.452 3.503 0 40 GHAB NC(=O)c1ccc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 6290045 YBSYMGXCCCHYHC-UHFFFAOYSA-N 388.467 3.503 0 40 GHAB COc1cc2sc(NC(=O)c3ccc4c(c3)OCCO4)nc2cc1Cl 4487770 HKBNRDNAEBXWHU-UHFFFAOYSA-N 376.821 3.982 0 40 GHAB CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCc3ccccn3)ccc12 5306356 SHJAECNTWYBMJT-INIZCTEOSA-N 394.471 3.923 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O)Nc1ccc(F)cc1 9233588 GHTLKKNNGZIDRI-RQZCQDPDSA-N 395.415 3.982 0 40 GHAB CCc1nnc2sc(-c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3)nn12 4776743 DOKQODXGFWKRFN-UHFFFAOYSA-N 390.683 3.724 0 40 GHAB Cc1ccc([C@@H]2COCCN2Cc2ccccc2N(C)C2CCN(C)CC2)o1 93459905 LCEOKQOEDNAAQT-QFIPXVFZSA-N 383.536 3.692 0 40 GHAB C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 96171016 VKRSNDINCVCLPZ-SECBINFHSA-N 386.233 3.889 0 40 GHAB CC(C)(C)Cc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1 9340843 AEYBGIOFNAARNV-UHFFFAOYSA-N 386.521 3.618 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1nnc2ccccn12 7297316 GOUONNQYIVOLKD-LLVKDONJSA-N 376.869 3.819 0 40 GHAB CC(C)Cn1c(CNC(=O)Cc2ccc3c(c2)OCCCO3)nc2ccccc21 96230960 LBYYKIJNBIUJAS-UHFFFAOYSA-N 393.487 3.713 0 40 GHAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc2ccccc2s1 7767837 JVONUAUIFJCXKC-OAHLLOKOSA-N 385.514 3.787 0 40 GHAB CC(=O)[C@H]1CC(C(=O)Nc2ccc(N(C)C)c(Cl)c2)=NN1c1ccccc1 84671250 BVAXDPANAZMFEY-LJQANCHMSA-N 384.867 3.568 0 40 GHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)C1(C)C 84671141 YURIASFTNUZNFA-RHSMWYFYSA-N 378.538 3.940 0 40 GHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cc(Cl)c2c(c1)OCO2 8278463 IJXQFTXMXAZZAL-UHFFFAOYSA-N 396.226 3.813 0 40 GHAB Nc1ccc(-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc23)cc1 66352026 LJRZEFJDESVBDJ-UHFFFAOYSA-N 394.500 3.509 0 40 GHAB CN(C)C(=O)c1ccc(F)c(NC(=O)c2ccc(Br)cc2F)c1 83844173 CCXZWALMXVOVFE-UHFFFAOYSA-N 383.192 3.681 0 40 GHAB CC(C)CS(=O)(=O)CC(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 72070411 BPYICVPCBJFZOP-INIZCTEOSA-N 375.490 3.727 0 40 GHAB Cn1cc(CCOC(=O)c2csc(-c3ccc(Br)s3)n2)cn1 95960718 UWWROUQFAACCOZ-UHFFFAOYSA-N 398.307 3.767 0 40 GHAB Cc1nc(C(=O)Nc2ccc(-c3ccccn3)cn2)nn1-c1ccccc1Cl 95977629 YJKUHIVTONNYTJ-UHFFFAOYSA-N 390.834 3.938 0 40 GHAB Cc1nc(Cl)ccc1CC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 89536903 GMHUGGMWRHDWCL-BETUJISGSA-N 391.874 3.977 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(CN2CCCCC2)cc1 27633028 UCSZPYGKDXMROZ-UHFFFAOYSA-N 379.504 3.761 0 40 GHAB COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)c(F)c1 21577195 RESZHHUSDSBEIH-UHFFFAOYSA-N 387.480 3.951 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1cnn(-c2ccccc2F)c1-n1cccc1 32796363 GOUMWOGZMIJCEH-UHFFFAOYSA-N 390.374 3.783 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1OC 408627561 LRXJPXNSKDLQKH-UHFFFAOYSA-N 399.516 3.821 0 40 GHAB CCOc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 408708434 QCCSWFUZQKFKGN-INIZCTEOSA-N 386.879 3.716 0 40 GHAB Cc1cc(C)c2cc3c(nc2c1)O[C@@H](C)C(=O)N(Cc1ccc2c(c1)OCO2)C3 72346422 CWSWCIPDDBAZGQ-HNNXBMFYSA-N 390.439 3.890 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 35088607 QMIIWQGANXDDCF-TWHAJKEOSA-N 392.559 3.786 0 40 GHAB CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2Br)c1 31669213 CUBBECAECGHEEA-UHFFFAOYSA-N 397.294 3.844 0 40 GHAB CC[C@H](CCNC(=O)c1cc(C)nc2c1c(C)nn2CC)n1cc(Cl)cn1 36616054 KPSFFKVUZHKEEJ-OAHLLOKOSA-N 388.903 3.689 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 222499898 KGLAYHIWUVRSCB-XMSQKQJNSA-N 396.531 3.960 0 40 GHAB Cc1nc2nc3ccn(Cc4ccco4)c(=O)c3c(-c3ccccc3Cl)n2n1 40398394 LKQQOBYOLMVOLN-UHFFFAOYSA-N 391.818 3.709 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222748220 MNCAEVUWFQEKNI-SFHVURJKSA-N 382.504 3.706 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCSCc2cccc(C)c2)c(C)c1 225320406 MMNYESWBAXUGSF-UHFFFAOYSA-N 379.547 3.832 0 40 GHAB CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CC 223052383 WCFLINIEHRKBRY-JOCHJYFZSA-N 396.531 3.579 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1 225721012 SOBXBAPVYOABRF-UHFFFAOYSA-N 378.428 3.597 0 40 GHAB CC(C)OCCCNC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 199430258 QIDCCAZIGDTOTI-UHFFFAOYSA-N 398.503 3.916 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 224265118 CAMOIRAQBZVJNY-NRFANRHFSA-N 382.504 3.626 0 40 GHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)[nH]1 224002202 JICDSOYUPLMXRV-PMACEKPBSA-N 392.484 3.932 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(CN2CCOCC2)c1 224739240 DMNRNLHDNOMINV-HSZRJFAPSA-N 396.531 3.609 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1c(Cl)cccc1Cl 225441100 UZCPPRSKTWORIH-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB CSc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)ccc2C)cc1 224984045 SWFSCRJSWPHVDJ-UHFFFAOYSA-N 385.894 3.650 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)c1cc2c(=O)n3ccccc3nc2s1 96347300 JGDWFSLCUFPZKW-UHFFFAOYSA-N 383.860 3.535 0 40 GHAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cccc(NC(=O)c2ccco2)c1 96116471 URVZAZCWJLNLLK-PKOBYXMFSA-N 381.476 3.526 0 40 GHAB biogenic COc1ccc2nc(C(F)(F)F)nc(N(C)C[C@@H]3CCn4ccnc4C3)c2c1 585083377 ZFJIRRNQMBZBGF-GFCCVEGCSA-N 391.397 3.553 0 40 GHAB Cc1ncc(CN2CCO[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)s1 257309996 UDGSIWUTDPSJHD-LJQANCHMSA-N 381.505 3.867 0 40 GHAB CN1[C@@H]2CN(C(=O)c3cc(-c4ccccc4F)no3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257278499 OCMHDALPVNAZIM-SHXMKPCDSA-N 383.467 3.958 0 40 GHAB Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)Cc3ccccc3F)C2)n1 257212320 CCUWOYZBZFQTJJ-MRXNPFEDSA-N 394.450 3.521 0 40 GHAB Cc1cc(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)sc1Cl 1655975149 HBQBKIGHKCBIBB-HNNXBMFYSA-N 381.906 3.875 0 40 GHAB O=C(NCC(F)(F)c1cccc(F)c1)Nc1ccccc1O[C@H]1CCOC1 666333555 ZFCJOGQXENVLKT-HNNXBMFYSA-N 380.366 3.907 0 40 GHAB Cc1ccc(NC(=O)N2CCc3ccccc3C(C)(C)C2)cc1N1CCNC1=O 666917465 SLJHQNCKHJSWEB-UHFFFAOYSA-N 392.503 3.892 0 40 GHAB Brc1ccc(CNc2cc3cc[nH]c3cn2)c(N2CCOCC2)c1 672240247 TUTLHJJHCDFWHG-UHFFFAOYSA-N 387.281 3.774 0 40 GHAB Cc1c2ccc(NC(=O)NC3(Cc4ccccc4)CCOCC3)cc2nn1C 653203165 PXKOVEHEGSIMJL-UHFFFAOYSA-N 378.476 3.795 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@H](O)c2ccc(-c3ccsc3)s2)cc1 669891228 BASXKXXXWYMZMJ-HNNXBMFYSA-N 387.482 3.727 0 40 GHAB CC[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1 585101441 QGGMNLWRVXKLTC-YJYMSZOUSA-N 386.423 3.840 0 40 GHAB O=C(Cc1ccccc1Cl)N1CC[C@@H](Oc2ccncc2Br)C1 1776001695 HGLWZWMYSIIBJH-CYBMUJFWSA-N 395.684 3.720 0 40 GHAB CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1C2=O 79065694 ATIBBPKUCAOPIA-UHFFFAOYSA-N 382.254 3.794 0 40 GHAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)[C@H]1CC(=O)N(c2ccccc2)C1 96104087 IQGXXYHXBLVURF-KRWDZBQOSA-N 392.503 3.545 0 40 GHAB Cc1noc(C)c1CC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615160056 XEROCOJYDUZVTF-UZLBHIALSA-N 385.483 3.879 0 40 GHAB COc1ccc2c(CN3CCC(NC(C)=O)(c4ccccc4F)CC3)c[nH]c2c1 12328830 TUVYXDWRFCXPFH-UHFFFAOYSA-N 395.478 3.943 0 40 GHAB CCc1nc2ccccc2n1CC(=O)NCCc1ccc(C(F)(F)F)cc1 17366622 GMUORDIOZXSQOL-UHFFFAOYSA-N 375.394 3.976 0 40 GHAB C[C@H](Cn1cc(Cl)cn1)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 19457291 AKJYQENUUIQUKH-CABCVRRESA-N 379.863 3.629 0 40 GHAB COc1ccc(Cc2cnc(NC(=O)c3nn4cccnc4c3Cl)s2)cc1 19555954 GTJUSZFHQWXCMN-UHFFFAOYSA-N 399.863 3.691 0 40 GHAB O=C(NCc1cccc(-c2cccnc2)c1)N[C@H]1CCN(C2CCCCC2)C1 661034106 MVTWIMREQIYJJH-NRFANRHFSA-N 378.520 3.955 0 40 GHAB CCCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nc2ccccc2c1=O 2634848 IMADXICOLMLJAL-OAHLLOKOSA-N 393.512 3.876 0 40 GHAB COC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(Cl)c1 3497151 ILZADAFYVVAKLF-UHFFFAOYSA-N 389.864 3.861 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)CSC2CCCC2)CC1 1888869652 GKOWVFDUSHYRGC-UHFFFAOYSA-N 399.560 3.619 0 40 GHAB CCOc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2OC)s1 4087739 WACSLUHIIKSKLC-UHFFFAOYSA-N 385.445 3.873 0 40 GHAB COc1ccc(-c2nc(CCNC(=O)c3ccc(OC)c(OC)c3)cs2)cc1 4167105 XRWUFOVWMLOBSR-UHFFFAOYSA-N 398.484 3.808 0 40 GHAB COc1ccc(C)c2sc(N(CCN(C)C)C(=O)Cc3ccccc3)nc12 4359412 KGQZUIOJYUCWKP-UHFFFAOYSA-N 383.517 3.751 0 40 GHAB COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 4520634 TXQUWQHQJWIHGM-NSHDSACASA-N 378.787 3.561 0 40 GHAB Clc1ccc(-c2nnc3c4nnn(Cc5ccccc5Cl)c4ncn23)cc1 4785029 HMIKYYIVRRFENG-UHFFFAOYSA-N 396.241 3.891 0 40 GHAB O=C(c1ccco1)N1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21 5136521 OCRDOYJDMYORIE-UHFFFAOYSA-N 388.470 3.735 0 40 GHAB O=C(Cn1c(CO)cnc1SCc1cccc2ccccc12)NC1CCCC1 9827612 UGMOHGDPVANKLF-UHFFFAOYSA-N 395.528 3.880 0 40 GHAB CCOCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(Cl)cc2)cs1 12441822 AHOJRGGQRBLWRH-UHFFFAOYSA-N 376.869 3.933 0 40 GHAB CCc1nc2sc([C@H](c3ccc(C)cc3)N3C[C@H](C)O[C@@H](C)C3)c(O)n2n1 16690158 DNIVMLGDZJVAFY-ZQIUZPCESA-N 386.521 3.566 0 40 GHAB Cc1cc(C)c(NC(=O)C(=O)NCCc2ccc(N3CCCC3)cc2)c(C)c1 16993980 HSHWZVRLQLOZBZ-UHFFFAOYSA-N 379.504 3.509 0 40 GHAB COc1cccc(-c2noc(Cn3nc(-c4ccc(C)c(C)c4)ccc3=O)n2)c1 44166124 BJIKOKNHUMTTNO-UHFFFAOYSA-N 388.427 3.634 0 40 GHAB Cc1nc(-c2noc(-c3ccncc3)n2)cn1CC(=O)Nc1ccc(Cl)cc1 49411917 PNUYCUAPIDPNLI-UHFFFAOYSA-N 394.822 3.596 0 40 GHAB Cc1ccc(/C=C/S(=O)(=O)NCc2nc(C3CCC(F)(F)CC3)no2)cc1 575615211 CMHVDSKKTHHLBN-DHZHZOJOSA-N 397.447 3.761 0 40 GHAB O=C(CSc1ccc(Cl)cc1)NC(=S)Nc1cccc(C(=O)O)c1 5898820 LWRCWMYYIFLQOC-UHFFFAOYSA-N 380.878 3.644 0 40 GHAB CN1CCN(C(=O)c2cc3c(nc4sccn43)s2)[C@H](c2ccccc2)C1 30030429 AANVWNVCRFSJLT-HNNXBMFYSA-N 382.514 3.739 0 40 GHAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc2ccccc2c(=O)[nH]1 40012769 UKMKSBGAJUWDAO-HXUWFJFHSA-N 395.890 3.748 0 40 GHAB O=C(/C=C/c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1 20522496 GWYCSMPTXOHOLA-DHZHZOJOSA-N 385.305 3.807 0 40 GHAB O=C(O)c1ccc([C@H]2Nc3ccccc3-c3nc(=O)c(-c4ccccc4)nn32)cc1 101167913 NVROPFMMEDCXRG-FQEVSTJZSA-N 396.406 3.643 0 40 GHAB CC(=O)N[C@@H](C)CCc1ccc(C(=O)COc2ccc3ccc(=O)oc3c2)cc1 32778310 WQHIBUUWZIMZAT-HNNXBMFYSA-N 393.439 3.512 0 40 GHAB Cc1cccc([C@@H](CC(=O)N(C)Cc2c(F)cccc2Cl)NC(N)=O)c1 32796487 VZONAJQEBDBVEJ-QGZVFWFLSA-N 377.847 3.546 0 40 GHAB CC(C)n1ncc2cc(C(=O)Nc3ccccc3C(=O)NC3CCCC3)cnc21 32868985 JSVYTOMVSQWCIN-UHFFFAOYSA-N 391.475 3.937 0 40 GHAB COc1ccc(C[C@@H](NC(=O)Cn2nc(C)cc2C)c2ccc(OC)cc2)cc1 32836789 QOTQDWVLMHDAIT-JOCHJYFZSA-N 393.487 3.617 0 40 GHAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 645251 FBKGKGSPGFOBOR-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)N2CCCCC2)nnc1-c1cccnc1 796431 AKAOFQQTJJUFNU-UHFFFAOYSA-N 393.516 3.742 0 40 GHAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccccc3O)n21 882908 CQNREJCOEYFVHY-UHFFFAOYSA-N 380.473 3.673 0 40 GHAB O=C(NC1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 3211121 WKZUSYLABXYJGP-UHFFFAOYSA-N 384.929 3.577 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cc(Cl)nc(Cl)c1 3241093 SDKAOSYRJFAJNM-LBPRGKRZSA-N 381.259 3.683 0 40 GHAB Oc1ccc(N2CCN(C(=S)Nc3ccc(OC(F)F)cc3)CC2)cc1 3274870 AYMFQDJKNMYLEC-UHFFFAOYSA-N 379.432 3.513 0 40 GHAB Fc1cc2c(c(COn3nnc4ccccc43)c1)O[C@@H](c1ccccc1)OC2 3371982 KNRGVZMNSVLBHQ-NRFANRHFSA-N 377.375 3.807 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2c(F)cccc2Cl)c1 3459073 OGOYTWNXJMBVOU-UHFFFAOYSA-N 376.236 3.717 0 40 GHAB CC(=O)Nc1cccc(C(=O)OCCOc2cccc(Br)c2)c1 3461490 KIMGYNFEHPINEO-UHFFFAOYSA-N 378.222 3.643 0 40 GHAB CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 3483012 WIKFPAIRNNUWAX-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB CCCCCOc1ccc(-c2nc3s/c(=C\c4ccccc4)c(=O)n3n2)cc1 3648976 GILJMGRMKGENNY-CYVLTUHYSA-N 391.496 3.935 0 40 GHAB CCN(CCCNC(=O)C(=O)c1c(C)n(C)c2ccccc12)c1ccccc1 4062707 OLWWQGKUUPDSGH-UHFFFAOYSA-N 377.488 3.702 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)o1 4174158 XXRMWUOUQUEENZ-UHFFFAOYSA-N 381.413 3.617 0 40 GHAB CC(C)c1ccc(CN(C(=O)c2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 4183262 XPKWOBHUMJZCMI-QGZVFWFLSA-N 377.531 3.701 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)OCc2nc3ccccc3s2)cc1 4285288 QSHCOOQONSCZNJ-UHFFFAOYSA-N 375.471 3.512 0 40 GHAB CCc1nnc(SCC(=O)Nc2cc(Cl)ccc2C)n1-n1cccc1 4518509 IDMVFWYGUDEUHV-UHFFFAOYSA-N 375.885 3.646 0 40 GHAB O=C1c2ccccc2CC[C@@H]1[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 4555339 HRVQZWXYHZCCKB-OFVILXPXSA-N 383.447 3.866 0 40 GHAB COc1ccc(C(=O)NC2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 4888453 PSQPODRLTQKUAY-UHFFFAOYSA-N 381.476 3.738 0 40 GHAB COC(=O)[C@@H]1C(=O)c2c([nH]c(C(=O)OC3CCCCCCC3)c2C)C[C@@H]1C 4916922 MHHZRJRWCRQQHM-LRDDRELGSA-N 375.465 3.757 0 40 GHAB CCOC(=O)CSc1nc(-c2ccc(OC)cc2)nc2c1COC(C)(C)C2 5324728 JMGADZCBPPIQSW-UHFFFAOYSA-N 388.489 3.659 0 40 GHAB C[C@@H](CO)CCC(=O)[C@H](C)[C@@H]1C(=O)C[C@H]2C[C@H]3C[C@@H](O)CC[C@@]3(C)C[C@]12C 5339495 WJLCVMWHBASUOP-DYWNPFIRSA-N 378.553 3.773 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)NCCc1csc(-c2cccs2)n1 5451678 HFHYFTIOBUAQGN-UHFFFAOYSA-N 398.506 3.540 0 40 GHAB CCOC(=O)c1c(N)oc2c1[C@H](c1ccccc1)S(=O)(=O)[C@@H]2c1ccccc1 5473971 ZAKUOHUGIIVXFF-RBUKOAKNSA-N 397.452 3.646 0 40 GHAB CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 5795197 HABXMEQLWPWJIS-UHFFFAOYSA-N 390.509 3.751 0 40 GHAB O=C(O[C@@H]1CCN(Cc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 5941821 ZOAOWHPGYZFBSH-HSZRJFAPSA-N 387.479 3.740 0 40 GHAB C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(N2CCCCC2)cc1 6129740 XSMAPACFBLHKSZ-CQSZACIVSA-N 385.537 3.802 0 40 GHAB Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 6235040 XWEASHYBWBLIJS-UHFFFAOYSA-N 396.468 3.813 0 40 GHAB O=C(CNc1ccc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)cc1 6510061 HMBMKMSMBZIFAI-UHFFFAOYSA-N 380.275 3.881 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 6510832 CMAOSILMHKVYFG-UHFFFAOYSA-N 390.795 3.701 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc3ncsc3c2)cc1 6510890 BMPFAKLIYDXUGD-UHFFFAOYSA-N 398.440 3.659 0 40 GHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1 6590352 NNPVKXIRNDPQOV-UHFFFAOYSA-N 380.366 3.559 0 40 GHAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)C(C)(C)C)cc1 6630426 NAYCGTVTLQBXGN-UHFFFAOYSA-N 399.516 3.712 0 40 GHAB COc1cc([C@H]2N=C(N)Nc3nc4ccccc4n32)ccc1OCCC(C)C 6662333 CKKCITWTHFQWBL-IBGZPJMESA-N 379.464 3.757 0 40 GHAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 6680363 CWZHZDIDOCZWFH-UHFFFAOYSA-N 392.424 3.660 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2cncn2-c2ccc(F)cc2)cc1 7178711 AFCAAGDIZNGMRB-CQSZACIVSA-N 397.406 3.594 0 40 GHAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 7428451 ZWIQIFZHCAZUOR-UHFFFAOYSA-N 383.853 3.619 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(C)cc3)no2)c1 7604937 OZPVDSPNDGWZQB-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)c1ccc(Br)cc1 7687685 UTIAJMIANLSBMK-LBPRGKRZSA-N 384.295 3.806 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)N(CCc1ccccc1)Cc1ccccc1 8241254 PKLTWPHRICJTLB-UHFFFAOYSA-N 397.478 3.668 0 40 GHAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O 8312321 SZCOABZVBXYLGK-QHCPKHFHSA-N 387.439 3.798 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(OC)cc1 8518146 BOUDMMVKJAYQAZ-LBPRGKRZSA-N 390.324 3.949 0 40 GHAB CCOc1ccccc1OCC(=O)Nc1ccc(Sc2nccn2C)cc1 8750710 REPYFKNGLYDLAX-UHFFFAOYSA-N 383.473 3.988 0 40 GHAB CCCN(CCC)C(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(Cl)cc1 9238433 GAIWNMKKXZJPMG-JKSUJKDBSA-N 393.944 3.648 0 40 GHAB O=C(CCCn1nc(-c2ccco2)ccc1=O)Nc1cccc(C(F)(F)F)c1 11695844 WVKKYMWRJLKHSG-UHFFFAOYSA-N 391.349 3.941 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1 12284660 XYGTYRCCYVCQHE-MRXNPFEDSA-N 380.423 3.726 0 40 GHAB CCCC(=O)Nc1sc(SCC(=O)NC2CC2)nc1-c1ccccc1 12442976 SECSZDYJVNJHRW-UHFFFAOYSA-N 375.519 3.919 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3c(C)nn(C)c3s2)c(C)c1 12781857 MWCOFZXVFSMSMF-UHFFFAOYSA-N 384.505 3.579 0 40 GHAB COC(=O)c1cc(CNC(=O)c2ccc3cc(OC)ccc3c2)ccc1OC 13001352 LZQITENBIBGHJS-UHFFFAOYSA-N 379.412 3.574 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1cnc2c(cnn2C(C)C)c1)c1ccc(Cl)cc1 13005675 DNOGAZPPCBOAPA-GOSISDBHSA-N 399.882 3.872 0 40 GHAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1ccc(Cl)cc1 13689769 CCDIAISQRLZVSH-UHFFFAOYSA-N 397.862 3.794 0 40 GHAB O=C(Nc1ccc(F)cc1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 14158475 MYOJEWASDUDHNP-UHFFFAOYSA-N 389.408 3.541 0 40 GHAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)[nH]c2C)C1=O 14200340 RBOOHNWAHZKYPR-OAQYLSRUSA-N 385.439 3.591 0 40 GHAB O=C(OCc1ccc(-n2cccn2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 14677540 LVBAUZPPNGDWNV-OAQYLSRUSA-N 378.428 3.787 0 40 GHAB Cc1sc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)nc1-c1ccc(F)cc1 15940397 ZMDBBRZGNBAGSH-UGSOOPFHSA-N 391.493 3.650 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nccs3)cc2)cc1C 16641431 ARALLGLBSHJWTQ-UHFFFAOYSA-N 387.486 3.813 0 40 GHAB Cc1nn(CC(=O)Nc2c(Cl)cccc2Cl)c(=S)n1-n1cccc1 16777836 QXZAALOFBCJMPT-UHFFFAOYSA-N 382.276 3.781 0 40 GHAB C[C@H](Oc1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)c1ccccc1 18241204 TYNFUDZNYJDQKE-SZMVWBNQSA-N 375.424 3.792 0 40 GHAB O=C1NCCN(C(=O)c2ccccc2)C[C@@H]1Cc1ccccc1-c1cccs1 19368885 GEQZGJGZBKWNLC-IBGZPJMESA-N 390.508 3.846 0 40 GHAB O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19374238 APAQWAVISYJGMC-LJQANCHMSA-N 398.510 3.809 0 40 GHAB CC[C@H](c1nnnn1C1CCCC1)N1CCN(c2nc3ccccc3s2)CC1 19500603 VFBDQZKLHGCNFC-QGZVFWFLSA-N 397.552 3.671 0 40 GHAB CCn1c(C)nc2cc(C(=O)N3CCC(c4cc5nccnc5[nH]4)CC3)ccc21 19524186 NTYOQUGDOYVWOT-UHFFFAOYSA-N 388.475 3.656 0 40 GHAB CCOc1ccc(CC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)cc1 19532891 OSNYMHWOTSUGLN-FQEVSTJZSA-N 376.460 3.777 0 40 GHAB COCCOc1ccc(C(=O)N2CCC(c3cc4cnccc4[nH]3)CC2)cc1 19593653 DCIJUHJLEUBOAL-UHFFFAOYSA-N 379.460 3.608 0 40 GHAB CCN(C(=O)c1ccc(C)nc1)[C@H]1CCO[C@@H](c2ccc(CN(C)C)cc2)C1 19712018 CBJSSYMYVCZRBF-FCHUYYIVSA-N 381.520 3.834 0 40 GHAB CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(C)cc1 20493347 KFPLKXDPAOAPJW-KRWDZBQOSA-N 380.897 3.901 0 40 GHAB COCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20727090 PTSZJEZDMIXDEB-OAQYLSRUSA-N 392.499 3.502 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)Nc3cc(S(C)(=O)=O)ccc3C)o2)cc1 21446833 VFKJLJYTVIXTTQ-UHFFFAOYSA-N 398.484 3.933 0 40 GHAB Cc1noc(C)c1CCC(=O)Nc1nc(CN2C[C@@H](C)C[C@@H](C)C2)cs1 22296618 DMYAAGQAKYELCL-BETUJISGSA-N 376.526 3.797 0 40 GHAB Cc1ccccc1NC(=S)N[C@@H](C)[C@H](c1cccs1)N1CCN(C)CC1 22456980 LFWPVSNFMSKJIR-QFBILLFUSA-N 388.606 3.720 0 40 GHAB COc1cc(Cl)c(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1OC 23054167 CTUDNPFXFCGSNE-OAHLLOKOSA-N 376.840 3.563 0 40 GHAB COc1ccc(S(=O)(=O)Cc2nc(-c3ccc(OC(C)C)cc3)no2)cc1 23126423 CVWCZXIMBQQYDV-UHFFFAOYSA-N 388.445 3.506 0 40 GHAB CN(C)[C@H](CNC(=O)COc1cc(Cl)ccc1Cl)Cc1ccccc1 23198311 DZPPWVZNSOIVRE-INIZCTEOSA-N 381.303 3.661 0 40 GHAB O[C@@H](COc1cc(Cl)ccc1Cl)CN1CCN(c2ccccc2F)CC1 23386868 TVWMYADLFULZIH-OAHLLOKOSA-N 399.293 3.694 0 40 GHAB Cc1cc(N2CCN(C(=O)CCn3ccc4ccccc43)CC2)nc(C(C)C)n1 24219916 SSTFEQGGVCHQAJ-UHFFFAOYSA-N 391.519 3.602 0 40 GHAB O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24302059 KCPXRRLSJQDXPP-UHFFFAOYSA-N 391.298 3.886 0 40 GHAB COc1ccc(CN2CCN(C(=O)CSc3ccccc3C)CC2)cc1F 24601819 VHWKDZGZFPGKCT-UHFFFAOYSA-N 388.508 3.579 0 40 GHAB CCCCSCC(=O)Nc1sc2c(c1C(=O)NCCCOC)CCCC2 24777255 JEQANAMRLGAWNO-UHFFFAOYSA-N 398.594 3.865 0 40 GHAB CC(C)C(=O)Nc1ccc(CNC(=O)NCCc2c[nH]c3ccccc23)cc1 24777477 LSUJEYQVTWCHHP-UHFFFAOYSA-N 378.476 3.804 0 40 GHAB Cc1ccc(Cl)cc1N1C(=O)C[C@H](NCCc2c[nH]c3ccccc23)C1=O 25224521 KVLYDVDLJLJUOG-SFHVURJKSA-N 381.863 3.594 0 40 GHAB CCc1ccc([C@H](NS(=O)(=O)c2ccc(CNC(C)=O)s2)C(C)C)cc1 26358865 NGULQLCRJQYHPW-LJQANCHMSA-N 394.562 3.622 0 40 GHAB CCn1c(SCC(=O)N2CCCc3ccccc32)nc2ccsc2c1=O 27818879 SHNPVEQUXHJQAQ-UHFFFAOYSA-N 385.514 3.549 0 40 GHAB NC(=O)NCc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 29280218 VCJRHXYFQXETES-FQEVSTJZSA-N 391.496 3.704 0 40 GHAB CC[C@@H]1c2ccsc2CCN1C[C@@H](O)COc1ccc(C(C)=O)cc1OC 30224116 WKIHARWFHLFMAR-SJLPKXTDSA-N 389.517 3.708 0 40 GHAB Cc1ccc(-n2c(S[C@@H]3CCCCNC3=O)nc3ccccc3c2=O)c(C)c1 32871671 VITHFXZBCUTSSU-LJQANCHMSA-N 393.512 3.763 0 40 GHAB CC(C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)Nc1ccccc1 32902233 NHSWNQAQTBZVNV-KDOFPFPSSA-N 383.517 3.986 0 40 GHAB Cn1nccc1-c1cc(C(=O)NCC(C)(C)N2CCCCC2)c2ccccc2n1 35316604 SJWLKRLOYYCDEA-UHFFFAOYSA-N 391.519 3.630 0 40 GHAB COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3ccccc3C)C2=O)cc1 35339634 IQCFWBKKIFJGSI-GZTJUZNOSA-N 382.441 3.888 0 40 GHAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc(OC)c1O 36365750 LDVUYNJKSPEWNE-LBPRGKRZSA-N 383.379 3.858 0 40 GHAB COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1COc1ccc2c(c1)CCC2 36612336 ZKMRWIFLXLNFGU-UYAOXDASSA-N 385.485 3.551 0 40 GHAB Cn1ncc2c(C(=O)Nc3ccc(-n4ccnc4)c(Cl)c3)cc(C3CC3)nc21 36615893 OHDIUTJIWPSFEG-UHFFFAOYSA-N 392.850 3.937 0 40 GHAB COc1ccc(OC[C@H](O)CN(Cc2ccccn2)C2CC2)c(C(C)(C)C)c1 39982550 GOLBGJNWFNYICZ-LJQANCHMSA-N 384.520 3.792 0 40 GHAB Cc1occc1-c1nnc(SCCS(=O)(=O)c2ccc(Cl)cc2)n1C 40024290 NCBHHIUCBUFYLM-UHFFFAOYSA-N 397.909 3.603 0 40 GHAB O=C(CCCc1ccccc1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 40131751 CUDUGGUCYQRODU-UHFFFAOYSA-N 392.455 3.867 0 40 GHAB CCc1cc(=O)[nH]c(-c2cccc(NCC(=O)Nc3ccc(C)c(C)c3)c2)n1 40152846 ZIEJSCAWGQRZKK-UHFFFAOYSA-N 376.460 3.667 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)N[C@H](C)c3ccc(F)cc3)n2)cc1 41254491 JNFRCYCQBNDOPC-MRXNPFEDSA-N 379.435 3.625 0 40 GHAB Cc1cc(CN2CCC(CNS(=O)(=O)c3ccccc3Cl)CC2)c(C)o1 43954180 GMDGRFZTKPBQCB-UHFFFAOYSA-N 396.940 3.740 0 40 GHAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1S(C)(=O)=O 44313886 DXLXRNKVHNDAPU-GFCCVEGCSA-N 396.306 3.652 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)C1CCN(C(=O)c2ccncc2)CC1 48333499 RCAGBFAECOJXAV-UHFFFAOYSA-N 387.867 3.543 0 40 GHAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2Br)C1 48354110 IVFFTVIYDRSGCU-ZDUSSCGKSA-N 397.313 3.826 0 40 GHAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1csc2ccccc12 52805942 KWKYXBUATQYGKC-LBPRGKRZSA-N 380.473 3.530 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)c3ccccc3OC[C@@H]3CCCO3)ccc12 57722418 UHKZXCBHRSXOQT-INIZCTEOSA-N 379.412 3.912 0 40 GHAB C[C@@H](OC(=O)c1csc(-c2ccccn2)n1)C(=O)N[C@H](C)c1ccccc1 58191560 XLRCGXQJJGXYCW-ZIAGYGMSSA-N 381.457 3.628 0 40 GHAB C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@H]1COc2ccccc2O1 59967442 OJQRTCMFNDTXJN-SCLBCKFNSA-N 390.277 3.726 0 40 GHAB Cc1cnc(C(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)cn1 65487671 YMAMSMHKTXNQIA-UHFFFAOYSA-N 390.418 3.769 0 40 GHAB Cc1cc(-n2cc(C(=O)N3CCC(Cc4ccccc4)CC3)nn2)ccc1F 67263101 UIOKLSWJIZQWKZ-UHFFFAOYSA-N 378.451 3.810 0 40 GHAB COc1ccc(CN2C(=O)C/C(=C\c3cccc4[nH]ccc34)C2=O)cc1OC 70666202 SLBBPMGCNHKWFI-LFIBNONCSA-N 376.412 3.528 0 40 GHAB biogenic COc1ccc2ncc(S(=O)(=O)c3ccc(OC)c(OC)c3)c(Cl)c2c1 72329773 MVQYMDQWHKZZAG-UHFFFAOYSA-N 393.848 3.747 0 40 GHAB COC(C)(C)C(=O)N1CCC[C@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)n1 72372728 PONKONAHDIBTAT-SFHVURJKSA-N 383.496 3.629 0 40 GHAB Cc1ccc2c(c1)CCCN2C(=O)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 77100402 VGGKBSOYRRIMDD-UHFFFAOYSA-N 387.365 3.583 0 40 GHAB Cc1ccc(=O)n(CC(=O)Nc2ccc(Sc3ccccc3Cl)cc2)n1 78444639 OXDQFULUNAEFKH-UHFFFAOYSA-N 385.876 3.995 0 40 GHAB Cc1ccc(-n2cc(C(=O)N[C@@H](C)CC[S@](C)=O)c(-c3ccccc3)n2)cc1 78994482 WAWHDBLHDMUZPE-YMGMXPECSA-N 395.528 3.735 0 40 GHAB Cn1cc(Nc2cccc(C(=O)N3CCCN(CC4CCCCC4)CC3)c2)cn1 78995579 OFEOSBPYWBEKSP-UHFFFAOYSA-N 395.551 3.892 0 40 GHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](C1CCCCC1)SCC(O)=N2 79488174 NFGTZAPBENLOEK-BBRMVZONSA-N 383.539 3.507 0 40 GHAB CCc1noc(C2CCC(Nc3ccc(N4CCN(C)CC4)cc3C)CC2)n1 95996924 OEGBLLOAIOZXBR-UHFFFAOYSA-N 383.540 3.831 0 40 GHAB CC(C)n1cnc2c1[C@H](C(=O)Nc1cccnc1)N(Cc1ccccc1)CC2 96037490 KGDLGXKUTSHDRJ-OAQYLSRUSA-N 375.476 3.597 0 40 GHAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCC2CCOCC2)C12CCCC2 96344090 ZOULDLURFKCWEC-OAQYLSRUSA-N 398.547 3.882 0 40 GHAB Cc1ccc(N2C(=O)C[C@@H](N(C(=O)c3ccco3)c3ccc(C)cc3)C2=O)cc1 101160156 AEUKKKZPHLPQCY-LJQANCHMSA-N 388.423 3.875 0 40 GHAB O=C1[C@H]2C(c3ccccc3Cl)=NO[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 101359163 ILDFWEXBSJJRQS-DZGCQCFKSA-N 395.629 3.939 0 40 GHAB COc1ccc2nc(NC(=O)C(=O)CC(=O)c3ccc(Cl)cc3)sc2c1 102966503 SGEKNGLDNPJGND-UHFFFAOYSA-N 388.832 3.739 0 40 GHAB COc1ccc(CCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1OC 219282975 IZNIUUYZJBQRPE-UHFFFAOYSA-N 395.459 3.653 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1C 222898533 IBCVUIAUDARWRV-JOCHJYFZSA-N 396.531 3.878 0 40 GHAB Cc1cc2c(cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1)oc(=O)n2C 223335503 FGDSOLWRFWLHBP-UHFFFAOYSA-N 387.244 3.548 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 224671980 VNXOABVCWKQXQC-IRXDYDNUSA-N 383.488 3.925 0 40 GHAB COc1cccc(-c2cnc(CCC(=O)Nc3cc(OC)ccc3OC)o2)c1 224847257 IJTJYYWAHUNTJO-UHFFFAOYSA-N 382.416 3.939 0 40 GHAB CCOc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCSCC2)cc1 253407160 VQKYHOYCMWSLPS-QGZVFWFLSA-N 375.494 3.590 0 40 GHAB O=C(c1cccc(O)n1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257242111 IBDZAMZQDJEGKC-HNNXBMFYSA-N 381.407 3.525 0 40 GHAB CN(C(=O)c1cccnc1)[C@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257247375 IYTCUAPEDFQRAZ-FGOAKDMDSA-N 394.515 3.789 0 40 GHAB CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(Cc2ccc(F)cc2)C1 257275664 NQHXEHBNVJQTIV-CQSZACIVSA-N 384.480 3.522 0 40 GHAB CCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2)c1 408549999 ALVVMWGBGPJNAD-UHFFFAOYSA-N 396.896 3.679 0 40 GHAB Oc1nc(CSc2nnc(COc3ccccc3F)o2)nc2ccccc12 408581456 IFODFCIKCVDAGW-UHFFFAOYSA-N 384.392 3.729 0 40 GHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)NCc3ccccc3)c1)C2=O 408722380 SWMMMZBWABTSQJ-YADARESESA-N 390.483 3.932 0 40 GHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(O)cc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409095085 HDSSESSODVCZIL-IAISJRAMSA-N 384.398 3.917 0 40 GHAB Cc1ccc(OCC(=O)N2N=C(C3CCCCC3)C[C@]2(O)C(F)(F)F)cc1 409362356 UZJQOQVEGFAPFR-SFHVURJKSA-N 384.398 3.793 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1 409411368 HDLMLTBONNTMGU-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB Cc1cnccc1OC1CCN(C(=O)N[C@@H](C)c2nc3c(s2)CCC3)CC1 578495327 LBBYNIWYMYKCPA-AWEZNQCLSA-N 386.521 3.649 0 40 GHAB Cc1sc(-n2cnnn2)c(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)c1C 583652570 NUAPEHSBAPDPSP-MRXNPFEDSA-N 392.488 3.629 0 40 GHAB Cc1cc(C)c(C)c(OC[C@@]2(O)CN(C3CCC(C)(C)CC3)CC[C@@H]2O)c1 585285988 GGTVXUZHSCEMSD-GMAHTHKFSA-N 375.553 3.757 0 40 GHAB Cn1ncc(C(F)(F)F)c1CNC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 626559984 ADBBHTUJYPCEFH-UHFFFAOYSA-N 396.369 3.504 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1775967977 HTTHXQMBJPNFEQ-UHFFFAOYSA-N 390.487 3.768 0 40 GHAB CCCC(=O)Nc1sc(C(=O)Nc2cccc(OC)c2)c(C)c1C(=O)OC 871552 DMMDQPCVQSJNJT-UHFFFAOYSA-N 390.461 3.843 0 40 GHAB COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC(C)C)c3N2)c1 884285 OARYINORZVCOPX-LSDHHAIUSA-N 382.386 3.690 0 40 GHAB O=C(C[C@@H]1SC(=O)N(Cc2cccc3ccccc23)C1=O)Nc1nccs1 1020003 BJFIEJIFKXCBDR-HNNXBMFYSA-N 397.481 3.889 0 40 GHAB aggregator O=C(CN(Cc1ccccc1F)C(=O)c1ccco1)NCc1ccc(F)cc1 1353859 KCTRTFCDVRBKNV-UHFFFAOYSA-N 384.382 3.517 0 40 GHAB CC[C@@H](C(=O)O)n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O 1784729 KUYNWHILKZJSFU-AWEZNQCLSA-N 399.472 3.671 0 40 GHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc2c(c1)N1CCCN=C1S2 2234956 JSBAREKISLIMCS-SFHVURJKSA-N 397.456 3.657 0 40 GHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H]4COc5ccccc5O4)cc3c2C1 2645298 QJXNXPLSWVGJIB-GDBMZVCRSA-N 376.456 3.863 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC2(C)C)c(C)c1 2713166 JFPQUURLODZUEG-UHFFFAOYSA-N 383.879 3.963 0 40 GHAB CCOc1ccc(C(=O)NCC(C)(C)CNC(=O)c2ccc(OCC)cc2)cc1 2750106 ZCKDJKCAMJGQSX-UHFFFAOYSA-N 398.503 3.670 0 40 GHAB CCOc1ccc([C@@]2(O)[C@@H](C)[N+]3=C(CCCC3)N2c2ccc(OC)cc2)cc1 3172617 NLDGUOOVOCFLIA-HXOBKFHXSA-N 381.496 3.743 0 40 GHAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1ncc(Cl)cc1Cl 3257267 MKTRFMWBGAECTR-UHFFFAOYSA-N 395.029 3.886 0 40 GHAB O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)NCc1ccccc1Cl 3361331 BHXJVTNWTURTQL-JXMROGBWSA-N 395.789 3.814 0 40 GHAB Cc1cc(C)n(CCCNC[C@H](O)COc2ccc(-c3ccccc3)cc2)n1 3380763 RLVUDUXBMUQENY-QFIPXVFZSA-N 379.504 3.587 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC3=NCCS3)cc12 3411120 MUMCOEWPQMGKEJ-UHFFFAOYSA-N 390.921 3.941 0 40 GHAB Cc1cccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)c1 3542843 VJLVSPORGCSCBR-UHFFFAOYSA-N 387.515 3.952 0 40 GHAB Cc1ccc2nc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)sc2c1 3592199 ZGEXUKUYYYLBNZ-UHFFFAOYSA-N 379.441 3.620 0 40 GHAB COc1cccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)c1 3652445 NQOUXSHFNJUKFR-SFHVURJKSA-N 388.489 3.545 0 40 GHAB CCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)c(Br)c1 4008681 MVFSCGYIRIMFTG-HNNXBMFYSA-N 399.260 3.950 0 40 GHAB CCOC(=O)[C@](NC(=O)Nc1cc(C)ccn1)(c1ccc(F)cc1)C(F)(F)F 4047843 GRYIXJLWVPRTNL-QGZVFWFLSA-N 399.344 3.672 0 40 GHAB COc1ccc(CC(=O)N2CCN=C2SCc2ccccc2F)cc1OC 4120558 CQRDSXDVLFVJJZ-UHFFFAOYSA-N 388.464 3.517 0 40 GHAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCC2)c1 4187222 UDTUDXGVUFGEHF-UHFFFAOYSA-N 392.528 3.881 0 40 GHAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)Nc1cccc2ccccc12 4306479 PSKBAUBKHJGBBI-UHFFFAOYSA-N 397.481 3.682 0 40 GHAB COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2cccnc2)c1OC 4329844 JJNWLKBRZOILCR-LJQANCHMSA-N 378.432 3.537 0 40 GHAB CCOc1ccccc1OCc1nn2c(-c3ccccc3OC)nnc2s1 4734905 HZPDGIVXIHNXNC-UHFFFAOYSA-N 382.445 3.839 0 40 GHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NCc1ccncc1 6045704 OBDUHTOKIORFRN-CMDGGOBGSA-N 381.439 3.659 0 40 GHAB Cc1ccc(SCCOC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 6508429 LEICTMGIUGZSSB-UHFFFAOYSA-N 380.469 3.549 0 40 GHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OC)c(C)c3)C2=O)o1 6826012 VEUQGNLSWWLSKX-CXUHLZMHSA-N 387.413 3.620 0 40 GHAB CSc1nnc(CCCNC(=O)Cc2noc3ccccc23)n1C1CCCC1 7072207 AXNCEJKCPYZXCB-UHFFFAOYSA-N 399.520 3.548 0 40 GHAB CCc1nnc2c(NC3CCN(Cc4ccccc4)CC3)nc3ccccc3n12 7504164 JGSAPJGCDKESIM-UHFFFAOYSA-N 386.503 3.916 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 7881793 WFIVBJZOWCDQGJ-LJQANCHMSA-N 394.471 3.631 0 40 GHAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1cc(Cl)c2c(c1)OCCCO2 7925377 OLWKTAJQCPKTRI-AUWJEWJLSA-N 399.786 3.575 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 7964762 YRHRBWXGEDPFOQ-QFBILLFUSA-N 379.460 3.571 0 40 GHAB O=c1[nH]c(CSc2nnc(-c3c[nH]c4ccccc34)o2)nc2ccsc12 8135271 WWFSJWGSQHDDDI-UHFFFAOYSA-N 381.442 3.808 0 40 GHAB O=C(NCc1nnc2ccccn12)C1(Cc2nc3ccccc3s2)CCCC1 8232973 NEUVSDDHBNWLDJ-UHFFFAOYSA-N 391.500 3.758 0 40 GHAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1nnc2ccccn12 8352357 DXGYYMOXISIQQA-UHFFFAOYSA-N 384.439 3.676 0 40 GHAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(Br)cc1Cl 8433640 YAMWYQDNUUUGHW-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)/C=C/c1cccs1 8752257 NBCJCVHSAMTBEL-VOTSOKGWSA-N 375.475 3.548 0 40 GHAB COc1cc2c(c3oc(=O)c(CC(=O)N4CCCCC4)c(C)c13)CCC(C)(C)O2 8765449 NHVGXZZJIWRUJJ-UHFFFAOYSA-N 399.487 3.769 0 40 GHAB biogenic CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810329 AOXFEOPRXTWKSM-NSHDSACASA-N 384.860 3.808 0 40 GHAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 8840815 RAXVRKIXRBISIH-UHFFFAOYSA-N 386.517 3.985 0 40 GHAB O=S(=O)(c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1)N1CCCC1 8987735 SQXQGTVKJKLTTF-UHFFFAOYSA-N 389.864 3.842 0 40 GHAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NC1CCCCC1 9053846 PDSYRKOMODTIHS-UHFFFAOYSA-N 393.439 3.993 0 40 GHAB biogenic CCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 9062844 IMCNPIONXJOFGO-UHFFFAOYSA-N 379.504 3.677 0 40 GHAB Cc1cc(C)c(C)c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C 10560638 YPDYMYAEDJMZSV-OAHLLOKOSA-N 392.546 3.687 0 40 GHAB O=C(NCc1ccc(OC(F)F)cc1)C1CCN(C(=O)c2cccs2)CC1 11512767 HDQYLVQLKSMIOL-UHFFFAOYSA-N 394.443 3.518 0 40 GHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc3c(c2)OCCCO3)c1 11761421 VLCXPKOMNDTAKF-UHFFFAOYSA-N 396.472 3.716 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12088542 DTZHUWNZJIXHDG-GOSISDBHSA-N 376.435 3.626 0 40 GHAB CCc1c(C)noc1-c1cnc(NCc2ccncc2)nc1-c1cnc(C)cn1 12088816 FJQYTRNFWNHUFU-UHFFFAOYSA-N 387.447 3.775 0 40 GHAB COc1ccc(C2(C(=O)N[C@@H](C)c3nc(-c4cccnc4)n[nH]3)CCCC2)cc1 12114762 YBPKBWSYUFDTGK-HNNXBMFYSA-N 391.475 3.565 0 40 GHAB C[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccn1-c1cccc(F)c1 12147972 QLZIDIOTLXILOP-MRXNPFEDSA-N 382.435 3.728 0 40 GHAB Cc1ccccc1-c1cc(C[C@@]2(C(=O)O)CCCN(C(=O)CC(C)C)C2)on1 12366465 DLWRRTRVRKYDBA-QFIPXVFZSA-N 384.476 3.932 0 40 GHAB Cc1c(F)cccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 12372496 KVKIGRXFPFXBRZ-QGZVFWFLSA-N 396.871 3.579 0 40 GHAB FC(F)(F)c1cccc(N2CCN(Cn3nc(C4CC4)[nH]c3=S)CC2)c1 12593367 SSXPPCSOSQGMSP-UHFFFAOYSA-N 383.443 3.617 0 40 GHAB Cc1cnc(C(=O)Nc2nc(-c3cc(C)n(C[C@@H]4CCCO4)c3C)cs2)cn1 12755931 DIOMAZFHRKYIPU-HNNXBMFYSA-N 397.504 3.758 0 40 GHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc(F)cc1F 12789510 XODHHZTWYHHVRM-UHFFFAOYSA-N 389.427 3.713 0 40 GHAB FC(F)(F)c1cccc(N2CCN(Cc3nc(-c4ccco4)no3)CC2)c1 12797252 IFCOAFNEKKMVNQ-UHFFFAOYSA-N 378.354 3.671 0 40 GHAB CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccc(OC)cc3)oc12 12873919 ALSATRBKXQIOMI-ZDUSSCGKSA-N 375.446 3.880 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 12893573 KFUMJQOYZLRSOA-KRWDZBQOSA-N 379.504 3.927 0 40 GHAB COC(=O)c1ccccc1NC(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C 12918838 AYMUOGKUSNJNEI-UHFFFAOYSA-N 383.448 3.501 0 40 GHAB Fc1ccc(Nc2nc(NCc3ccc4c(c3)OCO4)nc3nccnc23)cc1 13010667 JVHHJWIMABZUDN-UHFFFAOYSA-N 390.378 3.643 0 40 GHAB COC(=O)c1c(NC(=O)C[C@](C)(C(=O)O)c2ccccc2)sc(C)c1C 13249579 RLTORAYGLARFIP-IBGZPJMESA-N 375.446 3.523 0 40 GHAB COc1cccc(CCCNS(=O)(=O)Cc2ccc(Br)cc2)c1 13670658 DSBNWLKTWGEROS-UHFFFAOYSA-N 398.322 3.510 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(SC)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715564 KYZVZWUOFDSQNN-KRWDZBQOSA-N 396.509 3.731 0 40 GHAB COc1ccc(CCNCc2ccc(-c3cccc(C(=O)O)c3)o2)cc1OC 13722895 URWFDIMWYHWOLJ-UHFFFAOYSA-N 381.428 3.994 0 40 GHAB Cc1ccc(-c2cc(C(=O)N(C)CC(=O)Nc3cccc(C)c3C)[nH]n2)cc1 14392492 GFIUEXMYOYSNAC-UHFFFAOYSA-N 376.460 3.713 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2c(C)[nH]c3ccccc23)c1 15632076 GVHCEPIBSSQNLT-UHFFFAOYSA-N 385.489 3.759 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 18013854 KXOUNRCFYALXKY-QGZVFWFLSA-N 386.517 3.579 0 40 GHAB Cc1cc(-c2cnc(N3CCN4CCCC[C@@H]4C3)nc2-c2cccs2)on1 19124071 ANKLIAVHAIUGDZ-OAHLLOKOSA-N 381.505 3.843 0 40 GHAB COc1ccccc1-c1cc(NC(=O)Cc2ccc3c(c2)CCCO3)n(C)n1 19288944 ABLSVWHECUNVCL-UHFFFAOYSA-N 377.444 3.602 0 40 GHAB Fc1cccc(Cl)c1CN1C[C@H]2CCc3nnc(-c4cccnc4)n3[C@H]2C1 19292595 RRHFZBHAAWVPMO-KDOFPFPSSA-N 383.858 3.752 0 40 GHAB C[C@H](CC(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21)n1cccn1 19455384 XGWFVRGJPMAKGB-QEMXTEJRSA-N 384.499 3.500 0 40 GHAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2o1 19936439 KHRTVVXEVLJJRK-UHFFFAOYSA-N 392.742 3.594 0 40 GHAB CCOC(=O)C1CCN(Cc2cnc(Oc3ccc(OC)cc3)s2)CC1 20218614 RHYJFFIFBAHLNC-UHFFFAOYSA-N 376.478 3.719 0 40 GHAB COc1ccc(CCNC(=O)Cn2ccc3ccc(Br)cc32)cc1 20723168 UXYDGPMSZUXTIB-UHFFFAOYSA-N 387.277 3.771 0 40 GHAB CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(Cl)cc2)c2ccccc21 20730134 IDDVQBWZOOSVLS-FQEVSTJZSA-N 378.819 3.780 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1-n1cnnn1 20737642 BWBJGBJUSJBNQQ-UHFFFAOYSA-N 389.390 3.633 0 40 GHAB O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@@H](C(=O)O)c1ccccc1 20745287 MLTWNDIUYICJLA-QGZVFWFLSA-N 386.860 3.948 0 40 GHAB Cc1cccc(-n2nnnc2SCc2cc(=O)oc3cc(C)c(C)cc23)c1 20896725 CZIXEJOIGPXYSE-UHFFFAOYSA-N 378.457 3.986 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(C2CCCC2)n[nH]1 21806277 UNDUDYYSGCKBSX-UHFFFAOYSA-N 376.482 3.559 0 40 GHAB COc1ccc(CN(C)C(=O)c2ccc(Br)cc2F)cc1OC 21912945 UELPVBYBIZTDCP-UHFFFAOYSA-N 382.229 3.878 0 40 GHAB Clc1ccccc1COc1ccc(Br)cc1CNc1nn[nH]n1 22112232 GFWQUPBDWJWZQI-UHFFFAOYSA-N 394.660 3.807 0 40 GHAB CCn1cc(C(=O)N[C@@H](C)c2ccccc2OC)c(=O)c2cc(OC)ccc21 22236062 YGNTZHURMVDLGW-AWEZNQCLSA-N 380.444 3.530 0 40 GHAB CCN(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 22286436 MWJQBWNLRKLQFP-UHFFFAOYSA-N 377.444 3.591 0 40 GHAB c1coc(-c2nc(CSc3nnc([C@H]4COc5ccccc5O4)o3)no2)c1 23038057 RTCGEJBLEXVROI-CYBMUJFWSA-N 384.373 3.517 0 40 GHAB CCOc1ccc(-c2noc(CS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 23126294 YQKZNOKKQWHZMK-UHFFFAOYSA-N 378.837 3.763 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)N3CCC[C@H]3C(=O)Nc3ccccc3)c2C)no1 23184668 JHKARSGKDIRYLI-IBGZPJMESA-N 392.459 3.634 0 40 GHAB CCC1(CC)NC(=O)N(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)C1=O 23732471 XCFKEBBEXVJLGA-MRXNPFEDSA-N 393.487 3.641 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(/C=C/c3ccccc3)c(O)n2)cc1 27300485 BGVVUALDONZDNG-FMIVXFBMSA-N 378.457 3.787 0 40 GHAB COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCc2cccnc2)cc1 28923194 WHNUZQCGAIPBGA-JOCHJYFZSA-N 389.455 3.874 0 40 GHAB COc1ccccc1NC(=O)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1 32090033 CFZLGBJIXCGUAM-UHFFFAOYSA-N 389.386 3.786 0 40 GHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccccc2CN2CCOCC2)o1 32210380 CHXLHXDXBPJACA-VFMTZTSHSA-N 380.488 3.565 0 40 GHAB COc1ccc(C(=O)Nc2nn(Cc3ccccc3F)cc2Cl)c(OC)c1 32610585 PKJQVYZFFUPUBC-UHFFFAOYSA-N 389.814 3.993 0 40 GHAB O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1ncc(-c2cccc(Cl)c2)o1 32764978 UHJSDSRMSPHOHG-MRXNPFEDSA-N 381.819 3.658 0 40 GHAB CCc1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)c1 32893364 ROCMEPCODKMQOU-UHFFFAOYSA-N 396.516 3.741 0 40 GHAB CC(C)(C)c1nnc(NC(=O)CCCCCn2cnc3ccccc3c2=O)s1 36360184 HTJZZLWWEYIBCA-UHFFFAOYSA-N 399.520 3.745 0 40 GHAB CCCC(CCC)C(=O)Nc1cc(C(=O)N2CCCCCC2)cn(C)c1=O 38486428 QFCOTUBMZRHYII-UHFFFAOYSA-N 375.513 3.556 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)c1cnc(OC(C)C)c(Cl)c1)OCO2 39563685 ZTWRLKHUULAVHG-UHFFFAOYSA-N 376.796 3.706 0 40 GHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1sccc1-n1cccc1 40040091 MAUOUNXBFHGYLV-UHFFFAOYSA-N 376.445 3.780 0 40 GHAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N(C)CCOc1ccc(F)cc1 40104810 CNBWQTSXNRLWMG-UHFFFAOYSA-N 399.466 3.913 0 40 GHAB CC(=O)Nc1cccc(C(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)c1 40106730 WFDQHVKOTXFJJB-UHFFFAOYSA-N 387.439 3.827 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)c1 44920507 AFHASPZJAXOUPC-UHFFFAOYSA-N 385.427 3.874 0 40 GHAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)cc2NC1=O 46501060 YFODCTPGWCYUIQ-CXAGYDPISA-N 398.484 3.929 0 40 GHAB Cn1cc(-c2nc(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)cs2)cn1 48234968 JYIODUAUMTXVKN-UHFFFAOYSA-N 393.428 3.641 0 40 GHAB Cc1nc2cc(Cl)ccc2cc1C(=O)NCc1cccnc1-n1cccn1 48286462 RQALVUATZGGIIC-UHFFFAOYSA-N 377.835 3.707 0 40 GHAB CS(=O)(=O)Nc1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1 48366232 MNBGPZJRUBPDGL-UHFFFAOYSA-N 386.498 3.717 0 40 GHAB COc1ccccc1-c1csc(-c2nnn(-c3cc(C)ccc3OC)c2N)n1 49001833 WSGKYBUXJRPAQD-UHFFFAOYSA-N 393.472 3.966 0 40 GHAB O=C(N[C@H]1CCCOc2ccc(F)cc21)[C@@H]1CCCN1C(=O)C1CCCCC1 53369546 UDIHWFVOBPDDOA-OALUTQOASA-N 388.483 3.727 0 40 GHAB Brc1cccc(C2(NCc3nc(C4CC4)no3)CCOCC2)c1 55055651 CTGHOGNHQYZHHT-UHFFFAOYSA-N 378.270 3.505 0 40 GHAB CCCNC(=O)[C@@H](C)NC(=O)c1oc2ccccc2c1COc1ccccc1 57742167 DFSSZTQHSXKHQI-OAHLLOKOSA-N 380.444 3.656 0 40 GHAB C[C@H](OC(=O)c1csc(-c2ccccn2)n1)C(=O)N[C@H](C)c1ccccc1 58191564 XLRCGXQJJGXYCW-KGLIPLIRSA-N 381.457 3.628 0 40 GHAB C[C@H]1CN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)C[C@@H](C)O1 72339462 UZNZEVGNDOYNEJ-GASCZTMLSA-N 390.443 3.548 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)Nc3n[nH]c(C(C)C)n3)s2)cc1OC 95473379 NJPXSAXPCUEROR-UHFFFAOYSA-N 387.465 3.630 0 40 GHAB C[C@H](NC(=O)CNc1cc(Cl)ccc1N1CCOCC1)c1cccs1 96954736 RKSIAVUXGYIGQG-ZDUSSCGKSA-N 379.913 3.527 0 40 GHAB O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)c1cc(-c2ccccn2)nc2ccccc12 101664283 OXYROOBMMMMYNP-IYBDPMFKSA-N 389.455 3.918 0 40 GHAB COc1ccc(CCN(C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)cc1 104074592 JOABWOVDAAGIOP-UHFFFAOYSA-N 397.563 3.855 0 40 GHAB Cc1ccc([C@H](C)NC(=O)COc2ccc(I)cc2)cc1 105845375 IXPBPVDPDQSTLE-ZDUSSCGKSA-N 395.240 3.856 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 222477018 SUUDUQHTUXLSCK-GOSISDBHSA-N 396.531 3.835 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 223548929 ZJXVHURYANKHQT-SFHVURJKSA-N 384.545 3.949 0 40 GHAB CCOc1ccc(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1 224145751 CGKIOWNCKRJMLR-UHFFFAOYSA-N 384.484 3.576 0 40 GHAB CC(C)[C@@H](C)NC(=O)CCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225227924 HJNZLLIFKRWEPQ-GFCCVEGCSA-N 395.352 3.700 0 40 GHAB COc1cccc(-c2noc(CCC(=O)N[C@@H](C)CCc3ccccc3)n2)c1 225825190 VQCMXRBZXWLSAO-INIZCTEOSA-N 379.460 3.815 0 40 GHAB Cc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 243456755 NGMNDQUCWXMLJT-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB O=C(c1cc2ccccc2oc1=O)N1CC[C@H](c2noc(-c3cccs3)n2)C1 244909793 AVSRLQZBOFJTCH-ZDUSSCGKSA-N 393.424 3.534 0 40 GHAB COc1cc(CN2C[C@@H]3[C@@H](CCC[C@]3(O)c3ccccc3OC)C2)ccc1O 247900955 QLSDPSXDBKELMS-GWJPWWOOSA-N 383.488 3.529 0 40 GHAB COCCCN1C(=O)S/C(=C/c2c(OC)ccc3ccc(OC)cc23)C1=O 409223335 YZBNTAARKGQBAA-LDADJPATSA-N 387.457 3.930 0 40 GHAB COc1ccc(CN(CC2CCC2)C(=O)c2cnc3n[nH]c(C)c3c2)c(OC)c1 513119663 BRQQCTOMIILEGH-UHFFFAOYSA-N 394.475 3.726 0 40 GHAB CCCCCC(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3ccc(C)cc3[nH]2)C1 514289652 XWWZLKZSMJOQNZ-IRXDYDNUSA-N 385.508 3.934 0 40 GHAB biogenic,in-vitro CC[C@@H](NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1)c1c(C)noc1C 527830553 HAZSOROUQQTDDZ-QGZVFWFLSA-N 381.480 3.756 0 40 GHAB Cn1cc([C@H]2OCC[C@@H]2C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cn1 562418986 NFYLEQSBOPXDJV-BLLLJJGKSA-N 390.415 3.538 0 40 GHAB COc1ccc([C@H](CNC(=O)[C@H]2CCCCN2C)c2c[nH]c3ccccc23)cc1 599294021 UVPCFQDBRMODGL-NZQKXSOJSA-N 391.515 3.909 0 40 GHAB O=C(N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1coc(C2CCC2)n1 653935426 OTEONGKVDYESDQ-CQSZACIVSA-N 398.413 3.829 0 40 GHAB C[C@@H](NC(=O)c1cc(C2CCOCC2)nn1C)c1cccc(C(F)(F)F)c1 1262683527 LVIWOAPIFGCNIX-GFCCVEGCSA-N 381.398 3.824 0 40 GHAB O=C1N(c2ccccc2)CCCC[C@@]12CN(Cc1ccc(Cl)cn1)CCO2 2037984305 WZWCPKGFEWNYLV-OAQYLSRUSA-N 385.895 3.523 0 40 GHAB CC(C)n1nc(-c2ccccc2)nc1[C@H]1CC[C@@H](O)[C@H](NC(=O)C2CCCC2)C1 2332241455 PHIXYHOYECIOQL-XUVXKRRUSA-N 396.535 3.829 0 40 GHAB COCCCCNC(=O)c1cccnc1Oc1ccc(Br)cc1 47199680 KEWPNXSKUXZJEX-UHFFFAOYSA-N 379.254 3.793 0 40 GHAB CCC(=O)N(CC(C)C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 1356597 CAVARMMOJJQDIL-UHFFFAOYSA-N 379.482 3.630 0 40 GHAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)[nH]2)cc1 7605024 FKPOEZWLXALNRS-UHFFFAOYSA-N 395.488 3.778 0 40 GHAB COc1ccc(CC(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1F 47407309 XWPHSWSULOPMOW-UHFFFAOYSA-N 378.831 3.807 0 40 GHAB CCOC(=O)[C@](NC(=O)c1ccco1)(Nc1ccccc1Cl)C(F)(F)F 3103601 GAHFNPYQQWTCBG-OAHLLOKOSA-N 390.745 3.597 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 10958611 SBEQOWUVJPPBAZ-LJQANCHMSA-N 398.528 3.605 0 40 GHAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c(C)c1 8369052 NDVPADNXVCOOTL-UHFFFAOYSA-N 388.533 3.809 0 40 GHAB O=C(NC[C@H]1COc2ccccc2C1)[C@@H]1CCCCN1Cc1ccc(F)cc1 72310103 LYJFSOHTXIRWNJ-RXVVDRJESA-N 382.479 3.548 0 40 GHAB Cc1ccc(-c2noc(CN3CCN(c4nc5ccccc5o4)CC3)n2)cc1 25057343 HRHHWIHZSARESO-UHFFFAOYSA-N 375.432 3.508 0 40 GHAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCC(=O)OC)cc12 1463679 SKVABTCQPAZFRF-UHFFFAOYSA-N 384.384 3.837 0 40 GHAB biogenic O=C(OCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc(O)cc1O 25532296 NQPNPLIOVFQVTQ-UHFFFAOYSA-N 380.278 3.524 0 40 GHAB Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)c(Br)c1 12606840 FQHVHGSUNRSNCZ-UHFFFAOYSA-N 397.294 3.729 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc2oc3ccccc3c2c1 103013044 SVZGTVHDUSVGEW-IRXDYDNUSA-N 388.423 3.866 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)CN2CC[C@@H]2c2ccccc2F)c(OC)c1 72308980 QDTSTZRYZVGEAL-NHCUHLMSSA-N 398.478 3.953 0 40 GHAB NC(=O)[C@H]1CN(c2nc(-c3ccccc3)nc3ccccc23)c2ccccc2O1 12633766 MKYKIZNIGIXQIK-HXUWFJFHSA-N 382.423 3.681 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(C(=O)NC2CC2)cc1 12790813 QGJMSMNKTCTRLV-UHFFFAOYSA-N 388.471 3.563 0 40 GHAB COc1nc(N)nc2sc(C(=O)O[C@@H](C)C(=O)c3cc(C)c(C)cc3C)cc12 12784054 DXKZBHXOTKCABA-LBPRGKRZSA-N 399.472 3.636 0 40 GHAB CCCCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 27582827 CWKURMMZDNXFNW-JOCHJYFZSA-N 396.531 3.977 0 40 GHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCC(=O)N1CCCC1 58115955 YBKYVEKEBGGULE-UHFFFAOYSA-N 377.897 3.514 0 40 GHAB COCCCCN1C(=O)[C@H](Oc2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 58202328 AQNINABNYSAJQJ-FGZHOGPDSA-N 399.487 3.770 0 40 GHAB Clc1cnc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c(Cl)c1 52040113 FMJNYGOQTQNJIS-UHFFFAOYSA-N 390.274 3.761 0 40 GHAB CN(C)[C@@H](CNC(=O)C1(c2ccc(Br)cc2)CC1)c1cccs1 12766096 JQJSEWBQCIXNML-HNNXBMFYSA-N 393.350 3.961 0 40 GHAB O=C1[C@H]2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl 101342498 VCGITXLYQZELCE-ZFWWWQNUSA-N 395.629 3.939 0 40 GHAB Cc1csc(CN2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)n1 21687019 XWSNAOFHWJYYNG-UHFFFAOYSA-N 393.940 3.607 0 40 GHAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCN(Cc2ccccc2)C1 58855960 DKYRKMDFFXPMNF-RTWAWAEBSA-N 395.522 3.680 0 40 GHAB Brc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2OC3)cc1 2314508 WGYUVTZIHQLYBS-QGZVFWFLSA-N 381.233 3.512 0 40 GHAB COc1ccc(CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)cn1 11112624 BZNBORNHTJBALL-UHFFFAOYSA-N 375.428 3.522 0 40 GHAB COc1cc(C)c(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)cc1OC 11249847 CYZUUKPRLLYODZ-SFHVURJKSA-N 392.459 3.563 0 40 GHAB CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1 11472222 WHWOMBYRSGAYKR-OAHLLOKOSA-N 392.455 3.715 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)N(C)Cc3ccccc3)c12 36713037 ATQRIXUUKHGMNC-AWEZNQCLSA-N 393.443 3.613 0 40 GHAB NC(=O)NCc1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 29280221 VCJRHXYFQXETES-HXUWFJFHSA-N 391.496 3.704 0 40 GHAB C[C@H](c1cccs1)N(C)C(=O)c1cn(-c2cccc(Br)c2)nn1 46322149 HMTXKEBAQHKNTP-LLVKDONJSA-N 391.294 3.925 0 40 GHAB O=C1NC(=O)c2ccccc2/C1=C\Nc1ccc(OC(F)F)c2ncccc12 60436634 MCPRKWCULTVQQE-GXDHUFHOSA-N 381.338 3.559 0 40 GHAB CC(C)n1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc2c1=O 2632994 BXSNVQRJNKHFEH-UHFFFAOYSA-N 385.464 3.525 0 40 GHAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)NCC(F)(F)F)c1C 2617661 RDLQPDNPNIQYLI-UHFFFAOYSA-N 380.366 3.882 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)cc2NC1=O 12939173 CHAZRCUBCRUQPP-ZFWWWQNUSA-N 398.484 3.929 0 40 GHAB CSc1ccc(-c2ccc(=O)n(CC(=O)NCCC3=CCCCC3)n2)cc1 49548430 XWELHJBIQLMQJJ-UHFFFAOYSA-N 383.517 3.639 0 40 GHAB Cc1ccc(NCc2cc(=O)oc3cc4c(cc23)CCC4)cc1NS(C)(=O)=O 64409906 BVNXVFMFMAYPRC-UHFFFAOYSA-N 398.484 3.574 0 40 GHAB CC(C)Oc1ccc(N2C[C@H](C(=O)NCc3cccc(Cl)c3)CC2=O)cc1 408709085 XFIOZAJJKBHJBI-MRXNPFEDSA-N 386.879 3.797 0 40 GHAB CCOc1ccc(NC(=O)COc2nc3ccccc3nc2C)cc1OCC 6083707 KNNVSONDOCPLRL-UHFFFAOYSA-N 381.432 3.753 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2ccc(Cl)cc2s1 4348041 HPGKBMTXWYOXLV-UHFFFAOYSA-N 380.878 3.752 0 40 GHAB Cc1ccc(CCC(=O)NCC(=O)Nc2nn(C3CCCCC3)cc2C)cc1 96010761 VVKALKFBYYZEKR-UHFFFAOYSA-N 382.508 3.693 0 40 GHAB CN(C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1nc2ccccc2s1 14202342 BQHZVVPORASPLW-UHFFFAOYSA-N 380.878 3.630 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccc(OC)c1 5477674 IYXBKUCHMAXLQR-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB CC(C)c1ccc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 6545799 QZSZYCWMJWLLLX-HSZRJFAPSA-N 376.456 3.776 0 40 GHAB Cc1ccn([C@@H](C(=O)c2ccc(F)cc2)C(=O)N(C)C2CCCCC2)c(=O)c1 4682132 BXAJRHJZIPMYAO-FQEVSTJZSA-N 384.451 3.511 0 40 GHAB Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4ncc(C)s4)nnc3c2c1 5577841 DXYZVKUUFWBRHT-UHFFFAOYSA-N 384.490 3.619 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1 6653453 ZSWMCNBWCUCMIU-UHFFFAOYSA-N 383.835 3.608 0 40 GHAB COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)Cc2ccccc2)cc1 4777311 DPVVIIVCUOZEHJ-UHFFFAOYSA-N 399.454 3.844 0 40 GHAB NC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 4735528 MDPZEDQEHGQWRJ-HSZRJFAPSA-N 381.435 3.865 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 6728314 RTGYDVZSDWXYHR-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NCCc1cccs1 5702283 CSTDENSCNVOPSN-UHFFFAOYSA-N 384.530 3.657 0 40 GHAB CCn1nnc2cc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)ccc21 5804946 BMENPHKNTXOUFR-UHFFFAOYSA-N 383.795 3.512 0 40 GHAB O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc(F)c1 7051595 ZXZPOZSPDFLJPV-UHFFFAOYSA-N 386.452 3.611 0 40 GHAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc3c(c2)OCCO3)cc1 7598969 HXJYCKJENNVFTQ-UHFFFAOYSA-N 394.427 3.823 0 40 GHAB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCc1nc2ccccc2s1 16695224 UDNCHRJPCOWSNV-AWEZNQCLSA-N 398.488 3.556 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 9590740 YEHQQVJZNMLRSB-MRXNPFEDSA-N 385.847 3.736 0 40 GHAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)CC(C)C 408628935 YJKRANLRRNJKMY-UHFFFAOYSA-N 385.468 3.727 0 40 GHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(F)cc1F 71844430 KXOGISQYECNAAB-PXNSSMCTSA-N 386.442 3.879 0 40 GHAB O=C(/C=C/c1ccco1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 8704673 BFPVYTNZBJJUMN-OUKQBFOZSA-N 385.423 3.758 0 40 GHAB COc1cccc(-c2nc(CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cs2)c1 95474823 CNNRQIKPUSMCRS-IERDGZPVSA-N 386.517 3.515 0 40 GHAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1 20139933 CNRCJCBOLKXPQG-NRFANRHFSA-N 390.535 3.730 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1)N1CCCCC1 408586844 CEIDKGSEYRQBQO-UHFFFAOYSA-N 377.441 3.644 0 40 GHAB COCCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1 5009991 PPFLQLMMHQMXCY-RGEXLXHISA-N 386.879 3.572 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1OC 36799704 AQPJZLXVQUHIKP-UHFFFAOYSA-N 383.366 3.920 0 40 GHAB CCc1nc(S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)O)n[nH]1 213391081 ZHHSIEMSHUVLIB-ZROIWOOFSA-N 385.401 3.543 0 40 GHAB C[C@@H]1Cc2cc(CC(=O)N3CCc4onc(-c5cccc(F)c5)c4C3)ccc2O1 72390388 IRMCYAPYIMYZSA-CQSZACIVSA-N 392.430 3.932 0 40 GHAB CCc1cc(N2CCOCC2)nc(C2=CCN(Cc3ccccc3Cl)CC2)n1 72339563 LXNMUHCOMIGWJD-UHFFFAOYSA-N 398.938 3.818 0 40 GHAB Cn1nccc1C1CCN(Cc2csc(-c3cccc(C(=O)O)c3)n2)CC1 565838865 SZKHZOYIYPCINO-UHFFFAOYSA-N 382.489 3.621 0 40 GHAB COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(-n2cccc2)cc1OC 36359824 NQFDWAOJQMENEX-UHFFFAOYSA-N 380.400 3.518 0 40 GHAB Cc1ccc(N2CCC(C(=O)N(C)Cc3nc(-c4cccs4)no3)CC2)cc1 219866854 WHHQZXGDSZCQHF-UHFFFAOYSA-N 396.516 3.982 0 40 GHAB CC(C)Oc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 40640022 SAHAPEOAYLZIQU-UHFFFAOYSA-N 388.489 3.656 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1 223767874 RPGDEQQJDLXJGP-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1 224613069 KTLRMIHZKFQWJY-MRXNPFEDSA-N 388.895 3.661 0 40 GHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224111573 DVUOZOKJSHOQDO-UHFFFAOYSA-N 380.469 3.952 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(F)c1 40485095 RAFGYUKLLOPZCX-LJQANCHMSA-N 393.422 3.744 0 40 GHAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 223960512 HFJFZYPHBZMHSQ-IQUTYRLHSA-N 388.464 3.545 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 223505027 ONUPUSRLTLJPHG-SFHVURJKSA-N 384.545 3.782 0 40 GHAB COc1ccccc1OCCNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 46086494 JIRJGFKQNNOSGC-OAHLLOKOSA-N 377.868 3.928 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)COc1ccc(C)c(C)c1 223251322 YXKGFWHXIQEMHA-CQSZACIVSA-N 383.897 3.711 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1 224776788 FESZLSCSEGLYAY-INIZCTEOSA-N 388.895 3.662 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 225030216 XZJBKYOFWFOMLD-IBGZPJMESA-N 396.531 3.798 0 40 GHAB CCSc1nnc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)s1 225841616 XXTCGZMTHQWAIW-UHFFFAOYSA-N 381.504 3.613 0 40 GHAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C1 77100737 JYHJLNDBNODPAG-MOPGFXCFSA-N 388.489 3.666 0 40 GHAB Cc1ccc(C(=O)N2CCc3c(CN4CCCC4)nn(C(C)C)c3C2)cc1C 96255938 HGYCFSFHPLHUCT-UHFFFAOYSA-N 380.536 3.875 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1ccc2c(c1)OCC2 96222777 MOSWHZIXLKKEMZ-HXUWFJFHSA-N 376.456 3.848 0 40 GHAB biogenic CC[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 24748493 ZFTKIWPMPGVWPL-CYBMUJFWSA-N 388.489 3.635 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(Cc3nccn3C(C)C)C2)ncn1 257333151 YAJBLLWMPJJCDG-QGZVFWFLSA-N 380.496 3.590 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@H](Cc2cc(-c3ccc(C(=O)O)cc3)ncn2)C1 257284960 PFAZPGDJVPBZPF-OAHLLOKOSA-N 381.476 3.669 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1C 260793056 IZPDINLRPHMNIL-MRXNPFEDSA-N 382.570 3.789 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 670417797 DYQWLHYPBQPLPW-IBGZPJMESA-N 390.480 3.624 0 40 GHAB CCOC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)C1 56853786 QVOMNRHCXYZMOW-STQMWFEESA-N 387.402 3.687 0 40 GHAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)cc1 89439070 HERDTRKZKMHKFD-YZGWKJHDSA-N 375.472 3.840 0 40 GHAB COc1cc(Cl)c(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 981043 KKPOHMJOZDICTO-VIZOYTHASA-N 390.798 3.589 0 40 GHAB COC(=O)c1c(NC(=O)c2cccc(OC)c2OC)sc2c1CCCC2 5169431 KHSSCSWQKZPMHN-UHFFFAOYSA-N 375.446 3.683 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c(C)c1 5895459 FBMJWQRMCRHPCP-UHFFFAOYSA-N 399.516 3.790 0 40 GHAB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)cc1 11512553 GMDQGLKIHSZVOT-INIZCTEOSA-N 381.472 3.837 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)N(C)CC(=O)Nc1cccc(F)c1 12546111 WMUXMKWDEZSPGM-UHFFFAOYSA-N 379.435 3.630 0 40 GHAB COC(=O)c1ccc(C(=O)N2CCC(c3nc(C)c(C(C)=O)s3)CC2)s1 12750936 FBPKZYAXLXRDLG-UHFFFAOYSA-N 392.502 3.522 0 40 GHAB CC(C)Oc1ccc(N2C[C@H](C(=O)NC[C@H](C)c3ccccc3)CC2=O)cc1 13999491 UAOYCXSYFCWAJS-PKOBYXMFSA-N 380.488 3.747 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 16396243 WJDWZATZHVWLLY-SFHVURJKSA-N 393.531 3.604 0 40 GHAB Cc1cc(C(=O)NCc2ccc(-c3nc(C)ncc3-c3cc(C)no3)cc2)on1 19123916 JPEVEBSAXNQGDQ-UHFFFAOYSA-N 389.415 3.642 0 40 GHAB Cc1cccc(OC2CCN(C(=O)c3cc(C)nc4c3c(C)nn4C)CC2)c1 19662763 KVVRELAEGOUFIA-UHFFFAOYSA-N 378.476 3.577 0 40 GHAB CCN(CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cn4cccnc4n3)cc2)C1 19711827 ZFTMYWRABLTRFH-QUCCMNQESA-N 393.491 3.544 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)c3ccc(C)cc3)o2)cc1OC 19928643 ZIAYEXBPAKHCIN-UHFFFAOYSA-N 384.457 3.961 0 40 GHAB CCc1nnc(S/C(=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)C(=O)O)[nH]1 7342524 MSTXAPNMUXCEJU-DHDCSXOGSA-N 399.428 3.852 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)/C=C/c2cccc(Br)c2)cc1 8328346 LAUJAYBDBSANKJ-DHZHZOJOSA-N 387.277 3.868 0 40 GHAB COCC(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2ccncc2)cc1 12220530 YBUMYIAPJLFGDG-UHFFFAOYSA-N 376.460 3.592 0 40 GHAB CNc1ncc(CN2[C@H]3CC[C@@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 248068282 RQTPMSGKPLVQOH-ZVZYQTTQSA-N 392.425 3.969 0 40 GHAB CC(C)(C)c1cc(C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)[nH]n1 19083587 BXKMJTYSCWPELD-UHFFFAOYSA-N 377.492 3.857 0 40 GHAB COc1ccc2[nH]cc([C@H](O)CN3CCC(Oc4cccc(F)c4)CC3)c2c1 19563189 OCVZLWKBMUUDHC-JOCHJYFZSA-N 384.451 3.892 0 40 GHAB Cc1cccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)Cc2ccco2)c1 3405966 HPWWZLRNZXLECW-UHFFFAOYSA-N 398.484 3.726 0 40 GHAB O=C(CCc1ccc(F)cc1)N1CC[C@H]2[C@@H](COCCN2c2ccccc2)C1 2037985732 ULWUKCDXBLGXSA-KNQAVFIVSA-N 382.479 3.512 0 40 GHAB CCO[C@H]1CC2(CCN(C(=O)CCc3cncnc3)CC2)c2cc(F)ccc21 1565548118 SAXLGKZYNQBKKR-FQEVSTJZSA-N 383.467 3.590 0 40 GHAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2ccc(Cl)cc2)C1 2055750799 ZDPPTLWVRLFTIT-OAQYLSRUSA-N 385.895 3.515 0 40 GHAB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(Cn4ccnc4)cc3)C2)n1 1775969779 KYRNGVMVODXDNY-HXUWFJFHSA-N 390.487 3.566 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 100196737 DJMRHKGWKAZENI-RYGJVYDSSA-N 388.467 3.958 0 40 GHAB COc1cc(C(=O)/N=c2/sc3cc(C)cc(C)c3n2C)cc(OC)c1OC 100819122 BJAZYYLDSLATQJ-QZQOTICOSA-N 386.473 3.624 0 40 GHAB O=C(c1ccc(-c2ccsc2)cc1)N1CCC(N2C(=O)CSC2=O)CC1 206980806 OSDNEHYJIJWZMJ-UHFFFAOYSA-N 386.498 3.715 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCC13CC4CC(CC(C4)C1)C3)C(=O)C2 104544829 AUMOEMYCULQWEF-LMNOFTHYSA-N 379.566 3.518 0 40 GHAB O=C(Nc1cccc(NC(=O)c2cc(C3CC3)on2)c1)c1ccc2c(c1)OCO2 30438585 PKOJTXSYIBORLB-UHFFFAOYSA-N 391.383 3.785 0 40 GHAB C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(NC(=O)Cc2ccccc2F)c1 40142418 LXTBIMAKUWYSHX-HNAYVOBHSA-N 384.451 3.753 0 40 GHAB COc1ccccc1CN(Cc1nc(-c2ccsc2)no1)C[C@@H]1CCCO1 40153552 QGPXALWEKRBXCF-KRWDZBQOSA-N 385.489 3.988 0 40 GHAB O=C(NCc1cc[nH]n1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 40120219 FPXGHYOCANZJMQ-UHFFFAOYSA-N 393.325 3.596 0 40 GHAB COc1ccc(NC(=O)c2c(-n3cnnn3)sc3c2CCCC3)cc1Cl 40267965 ZWHYQMXXSHQDEC-UHFFFAOYSA-N 389.868 3.517 0 40 GHAB COC(=O)/C(=C\Nc1ccc(OC)cc1)NC(=O)c1ccc(Cl)cc1Cl 100334574 NMALAMXPTFQFGK-MHWRWJLKSA-N 395.242 3.858 0 40 GHAB Cc1ccc(OCc2nc3c4c5c(sc4ncn3n2)CN(C(C)C)CC5)cc1 20266903 IQGLPRSJDRXALR-UHFFFAOYSA-N 393.516 3.993 0 40 GHAB Cc1cc(N2CCN(C(=O)/C=C/c3cccc(Cl)c3)CC2)nc(C(C)C)n1 32808918 FMRQEVOEOPMFNG-BQYQJAHWSA-N 384.911 3.924 0 40 GHAB COc1ccc(CNC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cc1OC 32863603 BJKADHVZONSDAZ-UHFFFAOYSA-N 390.505 3.988 0 40 GHAB CN1C(=O)c2ccc(NC(=O)c3ccccc3COc3ccccc3)cc2C1=O 32973706 RMZMQDXUNDKDOL-UHFFFAOYSA-N 386.407 3.744 0 40 GHAB COc1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 33088660 KNKYDNCOZIWVSL-UHFFFAOYSA-N 394.452 3.753 0 40 GHAB COc1cccc2cc(C(=O)NCCc3c(C)[nH]c4ccccc34)c(=O)oc12 720096 FASWCMJZKSYNLV-UHFFFAOYSA-N 376.412 3.564 0 40 GHAB COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC(C)C)c3N2)c1 884284 OARYINORZVCOPX-GJZGRUSLSA-N 382.386 3.690 0 40 GHAB CCCCOC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 1973034 FLVIEMNHFILWIF-WDEREUQCSA-N 380.535 3.933 0 40 GHAB Cn1c(SCc2cc(=O)oc3cc4c(cc23)CCC4)nnc1C(F)(F)F 3288375 FYCYJPFRLMWGJV-UHFFFAOYSA-N 381.379 3.721 0 40 GHAB CCCCCCn1c(COc2ccccc2F)nnc1S[C@@H]1CCOC1=O 3316095 YTPSFPVPVHMNBJ-MRXNPFEDSA-N 393.484 3.984 0 40 GHAB O=C(Nc1cccc2ncccc12)[C@@H]1CS[C@]2(c3cccs3)CCC(=O)N12 3405313 CVGBSQZLOBIVGW-JXFKEZNVSA-N 395.509 3.826 0 40 GHAB C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccc(F)cc1Cl 3559182 XLBLKLQFKNIABO-SECBINFHSA-N 380.832 3.987 0 40 GHAB CCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)CC)CC3)cc2)c1 4120406 FWETYBKZNBIFSL-UHFFFAOYSA-N 395.503 3.786 0 40 GHAB O=c1oc(CCN2CCN(c3ccccc3)CC2)c(-c2ccc(Cl)cc2)o1 4215401 QPIRWBYRKYGHDQ-UHFFFAOYSA-N 384.863 3.918 0 40 GHAB in-man CCn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nc2ccccc21 4484341 DLLCVICXEVXAKV-UHFFFAOYSA-N 383.473 3.948 0 40 GHAB O=C1C(=O)N(Cc2ccc(Br)cc2)c2ccc(Br)cc21 4554847 QGFJHTJOCAHXRT-UHFFFAOYSA-N 395.050 3.941 0 40 GHAB O=C(/C=C/c1ccccc1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 4583523 XNJUQGZXUFWJOS-VOTSOKGWSA-N 385.439 3.937 0 40 GHAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 4738628 XZIDQWFGKBHRJL-UHFFFAOYSA-N 385.895 3.897 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(OC)c1 4742001 AYEBUALJSZOTIE-LJQANCHMSA-N 379.416 3.603 0 40 GHAB COc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)OCCO4)s2)cc1 5008511 YILSHCGMLKBKFC-UHFFFAOYSA-N 382.441 3.766 0 40 GHAB O=c1/c(=C/c2ccc(-c3ccccc3)o2)sc2nc(Cc3ccccc3)nn12 5013280 IOPZBWQMRBYCMI-RGEXLXHISA-N 385.448 3.550 0 40 GHAB CCc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)s1 5329942 DXDRWKQXNZVXNB-UHFFFAOYSA-N 394.518 3.637 0 40 GHAB COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1Br 5722010 YSOCJYPSQCCGNA-INIZCTEOSA-N 392.293 3.904 0 40 GHAB CCCCCn1c(O)c(C(=O)NCCc2ccccc2)c(=O)c2ccccc21 5825068 CDNKIJADMFOCEV-UHFFFAOYSA-N 378.472 3.870 0 40 GHAB CC(C)Cn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccccc1F 5977038 CXABEXXCJMVAIU-UHFFFAOYSA-N 390.406 3.511 0 40 GHAB O=S(=O)(Nc1ccc(Br)cn1)c1cc(Cl)ccc1Cl 6416230 BAIOQLNYEVQCDK-UHFFFAOYSA-N 382.066 3.952 0 40 GHAB CN(CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)Cc1ccco1 6604921 GFNXYUFBHFHFJV-UHFFFAOYSA-N 398.484 3.778 0 40 GHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)Cc2ccsc2)c1C 6609855 UBNJXSDORALPMS-SFHVURJKSA-N 386.517 3.554 0 40 GHAB Cc1ccc(C(=O)c2cnc3sc(C(=O)NCc4cccnc4)c(C)n23)cc1 6664154 DAHSOIMLHJEXBD-UHFFFAOYSA-N 390.468 3.569 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1OC 7410110 MTSIJRWDXLNLOY-UHFFFAOYSA-N 393.795 3.759 0 40 GHAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1c(C)noc1C 7777668 IKBOGROETDSVAS-UHFFFAOYSA-N 388.855 3.976 0 40 GHAB COc1cc(C(=O)OCc2ccc(Br)cc2)cc2c1OCCO2 7939009 BWNDUMMUIMQIIG-UHFFFAOYSA-N 379.206 3.586 0 40 GHAB CN(Cc1ccco1)C(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 7986015 RGHRRFNGEHMTHR-FQEVSTJZSA-N 393.443 3.830 0 40 GHAB O=C(CNc1ncnc2scc(-c3ccc(F)cc3)c12)NCc1ccco1 8184929 SPSDGGYZTOKTPW-UHFFFAOYSA-N 382.420 3.819 0 40 GHAB COc1ccc(CCNC(=O)c2ccccc2C(=O)c2cccs2)cc1OC 8276876 BSEYCSYBAFKLTJ-UHFFFAOYSA-N 395.480 3.969 0 40 GHAB Cc1cc(=O)c(C(=O)NCCOc2ccc3ccccc3c2)nn1-c1ccccc1 8314910 BJCYPFGRRSFMTB-UHFFFAOYSA-N 399.450 3.503 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)cc1C 8412600 GRRGHBBCUFTFIG-UHFFFAOYSA-N 382.460 3.903 0 40 GHAB Cc1cc(S(N)(=O)=O)cc(Nc2nc(C(F)(F)F)nc3ccccc23)c1C 8706774 VLDNYCGNMMQFKB-UHFFFAOYSA-N 396.394 3.656 0 40 GHAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 9037601 CFXYQQHSEPVRDA-UHFFFAOYSA-N 384.863 3.652 0 40 GHAB COc1ccc([C@H](NC(=O)N(C)C[C@@H]2COc3ccccc3O2)C(C)C)cc1 9867537 ZZUQVFROKGFFLD-WIYYLYMNSA-N 384.476 3.874 0 40 GHAB COc1ccc2cc(CNC(=O)C[C@@H](NC(C)=O)c3ccccc3)ccc2c1 9875552 CPFOPBQVKYBQCC-JOCHJYFZSA-N 376.456 3.732 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)N3CCc4[nH]c5ccccc5c4C3)cc2NC1=O 9900780 NMYCBVYFWOWETL-LBPRGKRZSA-N 377.469 3.799 0 40 GHAB COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1Cl 10543746 XIYOFCOYBBKAKM-UHFFFAOYSA-N 399.896 3.623 0 40 GHAB Cc1cc2nnc(SCC(=O)NCCc3ccccc3)n2c2c(C)cccc12 11903161 KGLRMLXSIJQFMV-UHFFFAOYSA-N 390.512 3.950 0 40 GHAB CCOc1ccc2cc(CNc3ccc(N4CCC[C@@H](O)C4)cc3)c(=O)[nH]c2c1 12088310 QACPFZXNUXGIKV-HXUWFJFHSA-N 393.487 3.500 0 40 GHAB COc1cc(OC)c(OC)cc1CNc1n[nH]c2nc(C)cc(C(F)(F)F)c12 12115916 CPFDALDATHKKLL-UHFFFAOYSA-N 396.369 3.923 0 40 GHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2[nH]cnc2c1 12483021 KHKAQKIFMBODSF-UHFFFAOYSA-N 391.258 3.971 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 12588281 ILNPPEBYSRMAMG-ADANQNMYSA-N 388.460 3.976 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(N3CCCC3=O)c2)c1 12594422 JPJGMGCBMMQYGV-HXUWFJFHSA-N 394.471 3.808 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H]1CCSc2c(F)cccc21 12728507 BLHXWDKTJAYENX-GOSISDBHSA-N 384.476 3.848 0 40 GHAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cccc3ncccc23)C[C@H](C)O1 12859319 WYMIVILUTVWCST-HOTGVXAUSA-N 389.455 3.737 0 40 GHAB COc1ccc([C@H](NC(=O)CNC(=O)Nc2ccccc2)c2ccccc2)cc1 12906798 RUUUEAVETOXBCP-JOCHJYFZSA-N 389.455 3.723 0 40 GHAB COc1ccc([C@@H]2[C@H](C(=O)N(C)C)CCC(=O)N2c2ccc(C)cc2)cc1OC 12996521 ZNOOETVSWMZDSA-XMSQKQJNSA-N 396.487 3.585 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)c(C)c1 13115720 FVAZHGFOSSHRCS-FKBYEOEOSA-N 399.450 3.750 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc[nH]3)o2)c(Br)c1 14169373 DUGATMXUIYHXFB-UHFFFAOYSA-N 393.266 3.866 0 40 GHAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 14491955 SYSWKALIGDAVBS-QGZVFWFLSA-N 387.439 3.790 0 40 GHAB O=C(CCNC(=O)c1ccc(Cl)cc1)NCCc1ccc(C(F)(F)F)cc1 15440031 MYDHOVZTHNIDKE-UHFFFAOYSA-N 398.812 3.838 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N2CCCC2)o1 15860482 VUIWPXWWGGRULD-SFHVURJKSA-N 394.471 3.878 0 40 GHAB COc1cc(C(=O)Nc2ccccc2N2CCCC2=O)ccc1OC(F)F 16105601 MKHWKFCBBJSWMD-UHFFFAOYSA-N 376.359 3.676 0 40 GHAB O=C(/C=C/c1ccc(OC(F)F)cc1)NCc1ccc(N2CCCC2=O)cc1 16514342 RMWDQJSRSARNBF-KPKJPENVSA-N 386.398 3.744 0 40 GHAB Cc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc(F)cc1 16842268 SQJLSRKCIIVMSD-UHFFFAOYSA-N 385.395 3.837 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)cc2F)cc1 18078904 RSRQRVNBJSEMSY-UHFFFAOYSA-N 396.459 3.567 0 40 GHAB Cc1ccc2nc(C(=O)N3CCc4onc(-c5cccc(F)c5)c4C3)cn2c1 19234350 WRBVYPAAVLAOEB-UHFFFAOYSA-N 376.391 3.635 0 40 GHAB CC(=O)Nc1ccc(CCC2(NC(=O)c3cc(C(C)C)n[nH]3)CCCCC2)cn1 19451949 KBSYUHXEMHPOSR-UHFFFAOYSA-N 397.523 3.952 0 40 GHAB CCCCc1nnc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)s1 19502385 GGRYXAODZAVAEB-CQSZACIVSA-N 398.536 3.575 0 40 GHAB Cc1ncsc1-c1nnc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)o1 19563134 XXPHDZWIGPFVLK-UHFFFAOYSA-N 386.452 3.589 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CCC2)C1 19591381 OQXIAUMZZKGJNL-QFIPXVFZSA-N 382.529 3.722 0 40 GHAB Cc1c(-c2cc(C(=O)NCCN(C)c3ccccc3)c3ccccc3n2)cnn1C 19664316 LXDOBJPOFSMABS-UHFFFAOYSA-N 399.498 3.810 0 40 GHAB Cc1c(C(=O)N2CCC[C@@H](c3cc(CN(C)C)n(C)n3)C2)oc2c(F)cccc12 19709015 XXAIOONIGTXOIE-OAHLLOKOSA-N 398.482 3.695 0 40 GHAB Cc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1Cl 22275004 QECNPFGXKZWUFP-UHFFFAOYSA-N 394.924 3.616 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCOCC1 22767041 HQOXDXYTJJEEGH-ZGRWHYIRSA-N 376.909 3.604 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(C)s2)cc1 24041034 IGWBGOXMZBVLLJ-AWEZNQCLSA-N 380.535 3.578 0 40 GHAB O=C1O[C@H](C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)Cc2ccccc21 28786175 IBDBMCPGAWMTLA-IBGZPJMESA-N 381.815 3.998 0 40 GHAB CN(C)Cc1nc(SCC(=O)Nc2ccc(F)c(F)c2)c2ccccc2n1 31619238 SPANBWRNKZTTHO-UHFFFAOYSA-N 388.443 3.700 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](C(=O)NCC1(c2ccccc2)CCC1)C(C)C 32882314 ROAKPMZFJKFVRR-OAQYLSRUSA-N 378.516 3.988 0 40 GHAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc(F)c1C 33740458 SRTMOMATIGHTJK-LIRRHRJNSA-N 392.496 3.774 0 40 GHAB CCCCNc1nc(S[C@H](CC)C(=O)NCCCOC)nc2ccccc12 34138637 SROFDCPFYRNUFJ-QGZVFWFLSA-N 390.553 3.865 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)C3CC3)CC2)c1 36385045 HVKTYHQNFHFZOY-QFIPXVFZSA-N 391.515 3.537 0 40 GHAB CCCn1ncc2c(C(=O)NCC[C@@H](C)n3nc(C)cc3C)cc(C3CC3)nc21 36616813 WWEASGNRPYNLRC-OAHLLOKOSA-N 394.523 3.913 0 40 GHAB Cc1sc(-c2ccco2)nc1C(=O)NCCc1ccc(-n2cccn2)cc1 36739439 IGWUQLCADXHDMG-UHFFFAOYSA-N 378.457 3.870 0 40 GHAB COc1ccc(-c2cc(C(=O)NC[C@H]3CCOC3)c3ccccc3n2)cc1OC 40089187 URIXWWAQYUOQNH-OAHLLOKOSA-N 392.455 3.685 0 40 GHAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(C(N)=O)cc3)c12 40128332 KBDWOOFEPSFJPW-UHFFFAOYSA-N 393.491 3.969 0 40 GHAB O=c1c2c(-c3ccccc3Cl)n3ncnc3nc2ccn1Cc1ccccc1 40398079 UBRHYWFSNIKRIJ-UHFFFAOYSA-N 387.830 3.808 0 40 GHAB CCCNC(=O)C1CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 42686811 MNVILWPTQQZJRP-NRFANRHFSA-N 379.504 3.605 0 40 GHAB O=S(=O)(c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1)C(F)F 43272656 JOLNAOOUYSDYCN-MRXNPFEDSA-N 395.427 3.796 0 40 GHAB Cn1c(=O)n2n(c1=O)[C@@H]1C=C[C@H]2[C@]2(C)C(c3ccccc3)=C(c3ccccc3)[C@@]12C 45071367 QYOCYYHBFNXHQC-APTYZTEPSA-N 397.478 3.651 0 40 GHAB COCCOc1ccc([C@H](C)NC(=O)Cc2c[nH]c3ccccc23)cc1OC 48354492 CBWOCDVEMXKNNS-HNNXBMFYSA-N 382.460 3.622 0 40 GHAB COc1ccc(NC(=O)CSc2cc(-c3nc(C4CC4)no3)ccn2)cc1 49405435 MNHNQENAPUPQIE-UHFFFAOYSA-N 382.445 3.748 0 40 GHAB Cc1ccc(CN2C(=O)N(c3ccc(F)cc3)c3ncccc3S2(=O)=O)cc1 49420968 YNGBQSWOJTZLKZ-UHFFFAOYSA-N 397.431 3.992 0 40 GHAB Cc1ccc(C)n1-c1nc(CC(=O)Oc2ccc3c(c2)CCC(=O)N3)cs1 49634659 JDMQKWZVOCYWEI-UHFFFAOYSA-N 381.457 3.583 0 40 GHAB O=C(/C=C/c1ccco1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317263 KEZVATGPUQBWLZ-ONEGZZNKSA-N 388.748 3.851 0 40 GHAB O=C(NCc1cccc(NC(=O)C2CCC2)c1)NCc1cc2ccccc2[nH]1 58228225 NHGKRFXCRAJVRJ-UHFFFAOYSA-N 376.460 3.906 0 40 GHAB Cc1sc(=O)n(CC(=O)N[C@H]2C[C@H]2c2ccccc2)c1-c1ccc(F)cc1 58292307 GROIITDDWOSQFY-ROUUACIJSA-N 382.460 3.697 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1ccc2ccc(F)cc21)CC3 61721175 SJLDVWZDOSRZIO-UHFFFAOYSA-N 377.419 3.855 0 40 GHAB CC(=O)NC(C)(C)c1noc(-c2cnn(-c3ccc(Cl)cc3Cl)c2)n1 71905168 GPRNJRAPDAZPGZ-UHFFFAOYSA-N 380.235 3.600 0 40 GHAB O=C(C1CCOCC1)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 72362894 VWMQYHLRRPEWRT-MRXNPFEDSA-N 385.439 3.541 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCCN2C(=O)c2cc[nH]n2)n1 72384016 BQCPVYJDCZWQTI-INIZCTEOSA-N 381.411 3.807 0 40 GHAB Cc1cc(Br)cc2c1NC(=O)[C@@]21CC(O)=Nc2c1cnn2C(C)C 79474058 RMABPDYNNFGIME-KRWDZBQOSA-N 389.253 3.765 0 40 GHAB O=C(c1ccc(OCc2ccccn2)cc1)N(CCCO)Cc1ccccc1 89832599 RGSMIJBUAGFRGW-UHFFFAOYSA-N 376.456 3.685 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 95951156 MOQNAGRDIWMQIO-UHFFFAOYSA-N 391.305 3.794 0 40 GHAB O=C(c1cnc2ccccc2c1)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238751 WAJXCKZVIKIYCJ-QHCPKHFHSA-N 389.430 3.643 0 40 GHAB Clc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1Br 97236820 YRKLGFDUOMSEIS-UHFFFAOYSA-N 380.717 3.815 0 40 GHAB CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN1CCN(c2ccccc2F)CC1 100319999 HTSQZYKYGVUADL-LANGDILFSA-N 390.543 3.540 0 40 GHAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc4c(c3)OCCO4)nnc12 100476972 LTYKBTICHGLVIU-LRTDBIEQSA-N 397.500 3.793 0 40 GHAB CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100607354 NWQUJZSEJQHILX-LRGYGIHKSA-N 386.451 3.813 0 40 GHAB COc1cc(C)c(CNC(=O)C[C@@H]2C(=O)N(C)c3ccccc32)cc1C(C)C 100758413 VCVCHVVTRFAZFE-IBGZPJMESA-N 380.488 3.894 0 40 GHAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1ccccc1)Nc1ccccc1F 101113878 CPHUPKACHPLJRZ-LHLOQNFPSA-N 388.402 3.650 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 113967081 XRYKMPIPNZZJGY-GOSISDBHSA-N 388.533 3.727 0 40 GHAB CC(C)c1ccc(NC(=O)C(=O)NCc2ccc([C@@H](O)c3ccco3)s2)cc1 206687691 UCTIMZMRHYMONZ-IBGZPJMESA-N 398.484 3.801 0 40 GHAB CC(C)N(Cc1ccc(C(=O)O)o1)C(=O)c1ccc2c(c1)nc(Cl)n2C 222552650 APOPGFVZIXWZLS-UHFFFAOYSA-N 375.812 3.569 0 40 GHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCc1ccc(C)cc1 222980192 ZVXUIZSQDCOEIQ-GOSISDBHSA-N 382.504 3.837 0 40 GHAB CCCC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)N[C@@H](C)CC 223198461 ONCXSWDMGQUJLW-UONOGXRCSA-N 383.330 3.881 0 40 GHAB CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(F)cc3)n2)cc1 223586517 HZXFXKFOAWVLQK-UHFFFAOYSA-N 389.452 3.820 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 223770791 FLEONXPQHCSXLO-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 224393959 ZWHQCCNJHABHGL-NRFANRHFSA-N 384.495 3.929 0 40 GHAB CCOc1ccc(-c2noc(CNC(=O)C3(c4cccs4)CCCC3)n2)cn1 225816225 HNMXSPJWDRNPMT-UHFFFAOYSA-N 398.488 3.720 0 40 GHAB Cc1ccc2c(n1)N(C)[C@@H](c1ccc(NC(=O)C[C@@H]3C=CCC3)cc1)NC2=O 248339843 UDKBFCIPEVDKHM-QRWLVFNGSA-N 376.460 3.563 0 40 GHAB C[C@@]12C[C@H]3CN[C@@H]1CCCC[C@@H]2N3C(=O)c1ccnc(Cc2ccccc2F)c1 257278508 OCNQOOXRNHQWSP-AYEXWZOKSA-N 393.506 3.947 0 40 GHAB COc1ccc(CN2C[C@@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)cc1 306132388 LHIMZLGTCFCALH-DENIHFKCSA-N 395.480 3.711 0 40 GHAB O=C(O)CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O 409127114 CGFALORFZGAZNQ-CXUHLZMHSA-N 387.388 3.526 0 40 GHAB CCCCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 409410745 PGSQXUMJDXEGDX-UHFFFAOYSA-N 394.924 3.760 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](Oc3ccncc3Cl)C2)c(C)c1 575612780 NAXMMVQYOOCSKJ-MRXNPFEDSA-N 394.924 3.892 0 40 GHAB CC(=O)Nc1cc(C(=O)Nc2sc3c(c2C(=O)O)CCCC3)ccc1F 585140311 BQTYMZBNKNFNMR-UHFFFAOYSA-N 376.409 3.675 0 40 GHAB CC(C)(C)n1nnc(CC(=O)N(Cc2cccs2)c2ccc(F)cc2F)n1 622787284 IIWUVUYSVJSCEJ-UHFFFAOYSA-N 391.447 3.544 0 40 GHAB Cc1noc(C)c1CC(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1888897853 NNSOSXKYBTVYGY-UHFFFAOYSA-N 384.867 3.837 0 40 GHAB COc1cccc(CN2CCn3c(COCc4ccccn4)cnc3[C@H]2C)c1 2055729803 OAGPTKACEFDISM-QGZVFWFLSA-N 378.476 3.580 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)O[C@H](C)C(=O)Nc1ccccc1 18746833 JBUIAXPVAHOTAC-QRWLVFNGSA-N 378.428 3.521 0 40 GHAB CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)N1CCCC1 916721 PXSMOSNRZTYHMJ-UHFFFAOYSA-N 394.928 3.553 0 40 GHAB CC(=O)Nc1ccc(C(=O)Nc2ccc(I)cc2C)cc1 1086310 SBCOSQCCOAFXLT-UHFFFAOYSA-N 394.212 3.810 0 40 GHAB CN(C(=O)c1ccc(Br)cc1)c1nnc(-c2ccncc2)s1 1356649 BFNXRDWGKKYFPA-UHFFFAOYSA-N 375.251 3.639 0 40 GHAB C[C@@H]1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)c2ccccc2S1 22256389 FQZFSPPSPLYDFZ-CQSZACIVSA-N 380.469 3.871 0 40 GHAB Cc1cc(-c2cc(C(=O)Nc3nc4ncccc4[nH]3)c3c(C)noc3n2)c(C)o1 79112712 RWESCYGYLHVNFJ-UHFFFAOYSA-N 388.387 3.932 0 40 GHAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)CN1C1CCCC1 2095575 WEZKQJWBJHEYJK-URXFXBBRSA-N 399.494 3.795 0 40 GHAB biogenic CCCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccncc1 4161397 WWQWQHKXWFYOQD-UHFFFAOYSA-N 388.522 3.636 0 40 GHAB COCCn1c(SCc2cn3cc(Br)ccc3n2)nc(C)c1C 53722937 PRWRCBDLTMMFPB-UHFFFAOYSA-N 395.326 3.849 0 40 GHAB COc1ccc(Br)c(C(=O)Nc2c(O)c3ccccc3oc2=O)c1 6825658 OKCBMXXZWXNYKK-UHFFFAOYSA-N 390.189 3.522 0 40 GHAB Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 882843 VPMXMBDXVCADBW-UHFFFAOYSA-N 375.457 3.855 0 40 GHAB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)N1C(=O)CCC1=O 8475158 IEIFXEDUEVQNRV-UHFFFAOYSA-N 377.227 3.700 0 40 GHAB COc1cc(S(=O)(=O)NCCSc2ccc(Cl)cc2)ccc1F 8478111 QAQAEAUVAAPJPT-UHFFFAOYSA-N 375.874 3.558 0 40 GHAB CCc1ccc(-c2noc(CN3CCc4c(cccc4NC(C)=O)C3)n2)cc1 54390641 YYGZCAYXWDAIPW-UHFFFAOYSA-N 376.460 3.816 0 40 GHAB CC(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 8780371 QPHYVDQBROHRHX-UHFFFAOYSA-N 380.366 3.992 0 40 GHAB O=C(NCCc1nc2c(s1)CCCC2)c1nn(-c2ccccc2)c2c1CCC2 58171489 XVZKFLBJOIBTIY-UHFFFAOYSA-N 392.528 3.669 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)nc1 25045178 KQHAPZGPZGMMOH-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12556778 RPYJABLANYORHD-SFHVURJKSA-N 377.444 3.630 0 40 GHAB COc1ccccc1-c1cc(COC(=O)C[C@@H](C)NC(=O)c2ccccc2)on1 26272843 CUBXVLAHIVAWFB-OAHLLOKOSA-N 394.427 3.602 0 40 GHAB Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N3CCOCC3)c12 3220565 FXJSXXVLIKSSET-UHFFFAOYSA-N 398.466 3.868 0 40 GHAB CCCCc1ccc(NC(=O)Cn2c(=O)n(CCC)c(=O)c3ccccc32)cc1 57477589 RKQVAIMGLQACIJ-UHFFFAOYSA-N 393.487 3.555 0 40 GHAB Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CC[C@H]1C(=O)Nc2ccccc21 100778556 RMTZQJJPFXCLGL-MRXNPFEDSA-N 378.407 3.681 0 40 GHAB CC(C)N(C[C@H]1CCCN([C@@H](C)C(=O)NC(C)(C)C)C1)C(=O)OC(C)(C)C 48274169 MCXUXLDQVDDIOT-IRXDYDNUSA-N 383.577 3.647 0 40 GHAB CC(C)[C@H](C(=O)NCc1ccc(OC(F)F)cc1)N1CCc2ccccc2C1 58154374 SDCGTJLHDQMQMX-HXUWFJFHSA-N 388.458 3.987 0 40 GHAB O=C(NC[C@H](c1cccs1)N1CCCCC1)c1cc2ccccc2oc1=O 27663934 OQUSWLVUQMEUEH-QGZVFWFLSA-N 382.485 3.812 0 40 GHAB CSCC[C@H](C(=O)N[C@@H](C)CCCC(C)C)N1C(=O)c2ccccc2C1=O 12755089 LYENUFRFDDXWHM-MAUKXSAKSA-N 390.549 3.735 0 40 GHAB CSc1ccc(C(=O)CCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 12765686 IIBGZWMZKHPHRV-UHFFFAOYSA-N 382.485 3.902 0 40 GHAB O=c1nc(O)c2c([nH]1)N=C1C(=C(O)c3ccccc31)[C@H]2c1ccc(Cl)cc1 102646760 PYNOYXDKQUMTOR-CYBMUJFWSA-N 377.787 3.678 0 40 GHAB CCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 11212076 CATHTVVLLSCJOE-SFHVURJKSA-N 392.521 3.620 0 40 GHAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)N1CCOCC1 36795366 JXKCKEFRXYGMHP-CQSZACIVSA-N 397.475 3.775 0 40 GHAB Cc1cc(S(=O)(=O)Nc2cccc(OC(C)C)c2)ccc1N1CCCC1=O 20491730 LQSZRTARMQEUFI-UHFFFAOYSA-N 388.489 3.710 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccccc1N1CCCC1=O 12802426 VRVXNLSQHAKQPF-UHFFFAOYSA-N 375.428 3.958 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)N2CCC(n3cccc3)CC2)cs1 60449240 FRTWHJNMSQOWOT-UHFFFAOYSA-N 398.488 3.505 0 40 GHAB NC(=O)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 2632483 QSLUJMIXFUPCRE-UHFFFAOYSA-N 393.874 3.893 0 40 GHAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(C(F)(F)F)n1C 8940808 ZKRGASQPTXWOPC-UHFFFAOYSA-N 398.366 3.514 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(C/C=C/c3ccccc3)CC2)cc1 19367785 CPMRPOUFRFQMGC-MBNRZODZSA-N 391.515 3.547 0 40 GHAB COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3ccco3)c2C)cc1 5080164 IWUDVQZJYKESKR-UHFFFAOYSA-N 381.428 3.989 0 40 GHAB O=C1C[C@H](C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)C2(CCCCC2)O1 5274448 YIALZRDANFSALT-LJQANCHMSA-N 398.503 3.907 0 40 GHAB CCOC(=O)C1=NN[C@]2(CCc3ccccc3C2=O)[C@@H]1c1ccc(Cl)cc1 5277628 NAOJGKOEMKQKQH-DYESRHJHSA-N 382.847 3.514 0 40 GHAB Cc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccccc3F)s2)CC1=O 9199472 HDPXDBPZIOULOP-CYBMUJFWSA-N 396.447 3.758 0 40 GHAB Cc1cccc(OCCN(C)Cc2nc(N)nc(Nc3ccc(Cl)cc3)n2)c1 14079575 UTILYUFWWDPDOR-UHFFFAOYSA-N 398.898 3.670 0 40 GHAB O=C(Nc1ccccc1)c1ccccc1OCc1cc(=O)n2ccsc2n1 6460960 DFUMTFAXLIROHE-UHFFFAOYSA-N 377.425 3.587 0 40 GHAB Cc1cc(=O)oc2c(C)c(Oc3ccc4nnc(C(F)(F)F)n4n3)ccc12 14216752 NVERUOVESZWFKC-UHFFFAOYSA-N 376.294 3.659 0 40 GHAB O=C(Nc1cccc(F)c1)c1c(O)c2c(n(Cc3ccccc3)c1=O)CCCC2 5522849 DRFZMQPHAUXBGO-UHFFFAOYSA-N 392.430 3.872 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 4734766 JBPSRKHSINPNOU-HXUWFJFHSA-N 393.443 3.523 0 40 GHAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)N[C@@H](C)C(C)C)c1 4987806 DGUYKAQHIYUHHL-KRWDZBQOSA-N 381.472 3.852 0 40 GHAB C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)N(C)Cc1cccc(F)c1 7047222 AIQGALKNYVGSBU-DBTPVHCXSA-N 392.430 3.977 0 40 GHAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)Nc3ccc(Cl)cc3)cnc12 7256008 DQFKBEULSLQGML-UHFFFAOYSA-N 398.875 3.915 0 40 GHAB CC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(F)c(C)c1 96009479 HFACBUWLOJEKIC-UHFFFAOYSA-N 386.242 3.900 0 40 GHAB C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 15796733 WHYXZMSROVRJEZ-KRWDZBQOSA-N 398.528 3.843 0 40 GHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCCCC2)cc1 7736637 GDIJNAYUKYSHKW-UHFFFAOYSA-N 395.547 3.948 0 40 GHAB COc1cc(/C=C2\N=C(c3ccccc3OC(F)F)OC2=O)cc(OC)c1 8180240 LXZALXZFVGNJEU-DHDCSXOGSA-N 375.327 3.650 0 40 GHAB COc1ccc2c(CC(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)coc2c1 8216110 MIKFKHFGUDKGFR-NRFANRHFSA-N 393.418 3.762 0 40 GHAB O=C(c1ccc(-n2cncn2)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 8367440 ROGQPENGNMXXKF-INIZCTEOSA-N 389.484 3.897 0 40 GHAB CCc1c([C@H](C)S(=O)(=O)c2ccc(C)cc2)[nH]c(=O)n1-c1ccc(C)cc1 8681126 BTIWLZJPEFNDTJ-INIZCTEOSA-N 384.501 3.880 0 40 GHAB O=C1C[C@@H](N2CCC(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 18222856 FKRXTCYYAAVNDG-LJQANCHMSA-N 386.854 3.991 0 40 GHAB Cc1coc2cc3oc(=O)c(CC(=O)NCCc4ccc(O)cc4)c(C)c3cc12 8765199 GGHAWTHRSQDBQV-UHFFFAOYSA-N 391.423 3.763 0 40 GHAB biogenic O=C(Nc1nc(CC(=O)N2CCc3ccccc3C2)cs1)c1ccccc1 9787387 MBWDAQLKQOEASW-UHFFFAOYSA-N 377.469 3.523 0 40 GHAB C[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2F)[C@@H]1C 72318867 JMLSCWUWJMEBOG-UEKVPHQBSA-N 378.307 3.832 0 40 GHAB Fc1ccc(-n2cc(CNCCC3CCN(c4ccncc4)CC3)cn2)cc1 95462165 OKQLHQKGHIOBBQ-UHFFFAOYSA-N 379.483 3.803 0 40 GHAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1nc(-c2cccc(F)c2)cs1 95948413 IMKYRSFAAFNBGG-UHFFFAOYSA-N 391.449 3.573 0 40 GHAB C[C@H](OC(=O)C1(Cc2nc3ccccc3s2)CCCC1)C(=O)N1CCCC1 24511740 YKYIHDPWUXTDKJ-HNNXBMFYSA-N 386.517 3.953 0 40 GHAB Cc1nc(-c2ccc(S(=O)(=O)N(Cc3cccnc3)C3CC3)s2)cs1 89712602 ZVCHTNVHFBTUJL-UHFFFAOYSA-N 391.543 3.928 0 40 GHAB COc1cc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc(OC)c1OC 22088063 YXAJFEJEMLKCRW-UHFFFAOYSA-N 393.443 3.639 0 40 GHAB O=C(Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1)Nc1ccccc1F 409146490 SWVJYPYNQFLELR-UHFFFAOYSA-N 384.392 3.733 0 40 GHAB COc1ccc(S(=O)(=O)Cc2nc(-c3cccc(C)c3)no2)cc1Cl 23125833 QWHYYYOJFNRNKL-UHFFFAOYSA-N 378.837 3.681 0 40 GHAB CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 408708601 RCGQYFLDUAIMIT-INIZCTEOSA-N 390.405 3.937 0 40 GHAB c1cc(-c2ccc3nc([C@H]4CCCN(Cc5nccs5)C4)nn3c2)ccn1 306140667 VAFJJLNOMPCUOX-KRWDZBQOSA-N 376.489 3.627 0 40 GHAB Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cnc2ccccc2n1 522890680 ABSJUNGCLZYEHS-UHFFFAOYSA-N 378.501 3.739 0 40 GHAB C=CC(=O)Nc1cccc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)c1 1545073475 IRSUDRKLFHXOOY-UHFFFAOYSA-N 384.863 3.900 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)C1 33005373 MCWGJXZDLJTUNQ-HOTGVXAUSA-N 380.488 3.775 0 40 GHAB Cc1ccc(-c2cc(C(F)(F)F)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1 77291217 LGIMTMFJBCXYRP-UHFFFAOYSA-N 381.379 3.514 0 40 GHAB in-vitro CCN(CC)C(=O)CN1CCC[C@@H](c2ccc(Nc3cccc(C)n3)cn2)C1 72353263 VBPUHLNUKFNTRN-GOSISDBHSA-N 381.524 3.576 0 40 GHAB O=C(CN1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)Nc1ccccc1 49403382 PPTQERQWQVKCFQ-UHFFFAOYSA-N 380.423 3.694 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccccc3C(C)C)n2)cc1 222814738 IKYUZEGAIKZCNW-UHFFFAOYSA-N 395.459 3.906 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 222967610 CYHAWAZIVHLGBJ-HXUWFJFHSA-N 384.545 3.782 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 223798525 PGXYZYFXLAFXKR-CQSZACIVSA-N 376.859 3.575 0 40 GHAB C[C@@]1(c2cccc(-c3noc(-c4cccc(C5CCC5)c4)n3)c2)NC(=O)NC1=O 574942624 CMOSRLNHUWLHPJ-QFIPXVFZSA-N 388.427 3.726 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C 224665716 GYDJWUCPTRPWMA-LJQANCHMSA-N 382.504 3.626 0 40 GHAB CCOc1c(Cl)cc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1OC 48362879 UAZCKUSVDUMLNA-UHFFFAOYSA-N 387.819 3.784 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)cc1 225416446 LLHSBSYRJCCRSR-QFIPXVFZSA-N 396.531 3.880 0 40 GHAB C[C@H]1CCCN(CCCNC(=S)Nc2ccc(Br)cc2F)C1 225736958 XTDOFVAPHSREEF-LBPRGKRZSA-N 388.350 3.997 0 40 GHAB COc1ccc(C(=O)N2CCN(C)CC2)cc1COc1ccc2ccccc2c1 224316946 ZOAWBOUYZIKDSD-UHFFFAOYSA-N 390.483 3.815 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1cc(Cl)c2c(c1)OCO2 95478007 ILWCJKOIZYPVES-CQSZACIVSA-N 381.841 3.564 0 40 GHAB CC(C)[C@H]1COC(CC(C)(C2=N[C@@H](C(C)C)CO2)C2=N[C@@H](C(C)C)CO2)=N1 96024845 ZLJMXDGDZUSSDE-BRWVUGGUSA-N 377.529 3.743 0 40 GHAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257303658 SIDGAULWINDCEH-INIZCTEOSA-N 398.470 3.510 0 40 GHAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CN(Cc3cn(C)nc3C)CCO2)n1 257285000 PFFGSWYUAIUZLM-DEOSSOPVSA-N 390.531 3.905 0 40 GHAB C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)CN1CCCCC1 257335969 YMPRAJPLOINJQK-QFIPXVFZSA-N 385.483 3.728 0 40 GHAB Cc1cc(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4)CC[C@H]3C2)c2c(C)noc2n1 257319723 VTURGGJWEJBPRY-IPELMVKDSA-N 377.444 3.769 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 260790526 FYUPIMNZUJXLIX-ROUUACIJSA-N 382.570 3.791 0 40 GHAB O=C(NCc1cccc2ccccc12)NC[C@](O)(c1ccoc1)c1ccco1 390826651 BACZUHBKPSWDMP-QFIPXVFZSA-N 376.412 3.761 0 40 GHAB Cc1cc(N=c2[nH]c(C3CCN(C(=O)CC(C)(C)C)CC3)cn3cccc23)n[nH]1 585263269 UFXCZLHCFKDWPU-UHFFFAOYSA-N 394.523 3.674 0 40 GHAB Cc1ccsc1CCC(=O)N1CC[C@@H](Oc2ccncc2Br)C1 1776001943 UQBKOOMIOXDHPX-CYBMUJFWSA-N 395.322 3.827 0 40 GHAB Cc1ccccc1[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 84235438 VCDXCPSZVDAHRL-FOIQADDNSA-N 384.426 3.990 0 40 GHAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)NCc1cc(F)cc(F)c1 60772032 LATAAZRIQNSBMS-UHFFFAOYSA-N 386.398 3.628 0 40 GHAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(F)cc2)C1 95993589 LCUSRZULRHVRJQ-KGLIPLIRSA-N 390.377 3.886 0 40 GHAB O=C(c1c(Br)cccc1I)C(F)(F)F 306503152 HRYXERUJMWRNFF-UHFFFAOYSA-N 378.913 3.799 0 40 GHAB Cc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 5699036 KYAFOWZKGIQMIF-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB CCn1c(=O)n(CC)c2cc(CN(C)Cc3cc(O)nc4ccccc34)ccc21 12188472 GLPUIZPKHYRIGO-UHFFFAOYSA-N 390.487 3.729 0 40 GHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)N1CCC[C@@H](C)C1 13584660 WZYKLEKXLOWMHR-VXGBXAGGSA-N 377.872 3.667 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)[C@@H]2CC=CCC2)CC1 19288899 BFQTUVRUCYYKSO-GOSISDBHSA-N 396.510 3.663 0 40 GHAB CCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 19503691 MUEBAMAWGUGYHH-GOSISDBHSA-N 378.476 3.742 0 40 GHAB Cc1nc(N2CCCC2)sc1C(=O)NC[C@H](c1cccc(Cl)c1)N(C)C 19663610 YTBZGUXFVRTTQY-MRXNPFEDSA-N 392.956 3.738 0 40 GHAB COc1ccc2[nH]c(C(=O)N3CC[C@H](c4ccccc4)C3)c(NC(C)=O)c2c1 19656414 BAJYJSVIJAHWHB-INIZCTEOSA-N 377.444 3.765 0 40 GHAB O=C(c1ccc2c(c1)ncn2C1CC1)N(Cc1ccccn1)C[C@@H]1CCCO1 19663085 QTPSZWWKTGUJCD-IBGZPJMESA-N 376.460 3.588 0 40 GHAB COc1ccc2c(c1)C=C(CNc1cccc([C@H]3CCc4nncn4C3)c1)CO2 19699087 GEQWCRVQXXTPJM-SFHVURJKSA-N 388.471 3.905 0 40 GHAB COc1ccccc1/C=C(/C(=O)OCC(=O)NC1CCCC1)c1ccccc1 3263681 VLXHLKITDJWEHS-HMMYKYKNSA-N 379.456 3.838 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NCCc1ccc(-c2ccnn2C)cc1 1889300387 LIYRVEDRSZHNSH-UHFFFAOYSA-N 389.908 3.570 0 40 GHAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1 15002105 KEJCAUHARVCONZ-UHFFFAOYSA-N 376.378 3.903 0 40 GHAB O=C(c1ccc(F)cc1F)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912186 GKKJJJUVRMTULO-HXUWFJFHSA-N 379.378 3.540 0 40 GHAB CCOC(=O)[C@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)oc1C)C(C)C 4501614 ZNCBOXSDTMSIFN-LJQANCHMSA-N 389.448 3.590 0 40 GHAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 11853292 QEAMVIAQDYZBPA-UHFFFAOYSA-N 391.437 3.648 0 40 GHAB O=C(Cc1ccc(F)cc1Br)N1CC(n2cnc3ccccc32)C1 1775973444 CCQDEOLCXBOEPN-UHFFFAOYSA-N 388.240 3.564 0 40 GHAB CN1C(=O)c2cccc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C1=O 35586298 ZAGNAPAROMUYPF-UHFFFAOYSA-N 384.391 3.789 0 40 GHAB O=S(=O)(NCc1cncc(-c2ccoc2)c1)c1ccccc1C(F)(F)F 575620227 LDIKVTWALYBZBN-UHFFFAOYSA-N 382.363 3.839 0 40 GHAB Cc1ccc(S(=O)(=O)N(C(=O)C(C)C)c2ccc3oc(=O)sc3c2)cc1 3654179 OVVZGBSQHMNFAA-UHFFFAOYSA-N 391.470 3.541 0 40 GHAB COc1c(S(=O)(=O)Nc2ccccc2C(=O)O)ccc(Cl)c1Cl 8714573 CZVPPZSSXBICOQ-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB C[C@@H](CC(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21)n1cccn1 19455382 XGWFVRGJPMAKGB-IBHRTIHJSA-N 384.499 3.500 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCCCn3ccnc3C)c3c(C)noc3n2)s1 40155366 PBDBZITVXIQUAH-UHFFFAOYSA-N 395.488 3.893 0 40 GHAB Cc1c(C(=O)NCc2ccc(F)c(Cl)c2)nnn1-c1cccc(Cl)c1 51317660 XHVFMPSNLBUXHI-UHFFFAOYSA-N 379.222 3.952 0 40 GHAB CCc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 20732187 IKDWTPKKAODHIB-INIZCTEOSA-N 395.850 3.683 0 40 GHAB O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN1C(=O)c1ccccc1 32755498 QCWVSHPRFDNTLE-INIZCTEOSA-N 391.240 3.832 0 40 GHAB CC[C@@H](OC(=O)c1cc(=O)c2cc(C)ccc2o1)C(=O)Nc1ccc(F)cc1 32848752 KKDJVUHVQSIHEB-QGZVFWFLSA-N 383.375 3.815 0 40 GHAB COC(=O)c1ccc(CSCc2nc(N)nc(Nc3ccccc3C)n2)cc1 33047531 XXHMFVLSYPNUKL-UHFFFAOYSA-N 395.488 3.726 0 40 GHAB CC(C)(C)c1n[nH]c(SCc2nc(N)nc(Nc3ccc(Cl)cc3)n2)n1 12260147 CHXYPLCBFRCWCT-UHFFFAOYSA-N 390.904 3.559 0 40 GHAB CCc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccncc2)cc1 796415 IULOIPLJTFZYPJ-UHFFFAOYSA-N 395.532 3.756 0 40 GHAB Cc1ccccc1OCc1nnc(S[C@H]2CCc3ccccc3C2=O)n1C 933588 PQVXXSFQMFVBGX-SFHVURJKSA-N 379.485 3.992 0 40 GHAB CCOc1ccccc1N1CCN([C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 103252929 QQTQOSOVJSIINU-SSTJLMRISA-N 399.579 3.537 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)no3)C2)c1 1364484 GATZXEARUYQNDE-CYBMUJFWSA-N 399.472 3.835 0 40 GHAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccccc2C(F)(F)F)c1 3385306 OPXONTFHRRQWFF-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB CC[C@@H]1c2ccsc2CCN1CC(=O)N[C@H](C)c1cc(OC)ccc1OC 103920444 XLJRWYJSYDZHKH-RDTXWAMCSA-N 388.533 3.952 0 40 GHAB COC(=O)c1c(CN2CCN(Cc3cccs3)CC2)nc2ccccc2c1C 22792677 WYQRWEGDIQYAFE-UHFFFAOYSA-N 395.528 3.709 0 40 GHAB COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 4967874 HVCDWVMYNSLMQH-INIZCTEOSA-N 381.501 3.838 0 40 GHAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)N[C@@H](C)c1ccccc1 7939843 NJJIDFJKKZPGNT-KRWDZBQOSA-N 396.487 3.778 0 40 GHAB O=C(Nc1ccccc1I)c1ccc(Br)o1 3189429 SNZPASRDSGSDRV-UHFFFAOYSA-N 391.990 3.899 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(F)cc1 8169467 CPHLZKJRWQNHDC-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB COc1ccc(-c2nn(CC(=O)c3ccc(OC)c(OC)c3)c(=S)o2)cc1 8492899 MHMPBUKXLMCXQS-UHFFFAOYSA-N 386.429 3.781 0 40 GHAB CCOC(=O)c1cnn(-c2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2)c1C 24650921 CFLRXCKSYNPZCU-INIZCTEOSA-N 391.471 3.891 0 40 GHAB COc1ccc(CC2CN(c3cnn(-c4ccccc4)c(=O)c3Cl)C2)cc1 24829780 BKSUIHOVZOZQIP-UHFFFAOYSA-N 381.863 3.573 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)c1 24925389 MRSSGOAWRIEHBA-HNNXBMFYSA-N 386.448 3.737 0 40 GHAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(NC(=O)C2CC2)cc1 24953730 XRRAYJFZCNBKMA-UHFFFAOYSA-N 381.428 3.993 0 40 GHAB COc1ccc(OC)c(CC(=O)N[C@H](C)c2ccc(Br)cc2)c1 20029769 RBCNLNROVBZQKQ-GFCCVEGCSA-N 378.266 3.886 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N(CCC(C)C)C2CC2)cc1 58168443 ACOXDYGVCVXYSY-NTEUORMPSA-N 392.565 3.767 0 40 GHAB Cc1cc(NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)sn1 26771060 WPRWYCIRAJFZBE-CYBMUJFWSA-N 379.747 3.914 0 40 GHAB CSc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccc(F)cc1Cl 44256222 ZBJQCQNULUFFLL-UHFFFAOYSA-N 375.830 3.700 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)c1 57137738 JZCIOWFIFGXGEY-KRWDZBQOSA-N 382.504 3.793 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2c(c1)OCCCO2 10109549 ZJHHWSPUBXPWBW-LJQANCHMSA-N 378.428 3.751 0 40 GHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1-n1cccc1 10309924 ZHFQKISHKGNTSG-MRXNPFEDSA-N 382.485 3.680 0 40 GHAB O=C(NC[C@H](c1cccs1)N1CCCCC1)c1cc(=O)c2ccccc2o1 28288886 MZKQOXJWGUWGFC-MRXNPFEDSA-N 382.485 3.812 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 10472622 DLNXQRLBVGXBBK-CQSZACIVSA-N 390.867 3.512 0 40 GHAB CCCc1cc(NC(=O)COC(=O)c2ccc(C)c(O)c2)n(-c2ccccc2)n1 10980952 DHSGVOGIFVUDKF-UHFFFAOYSA-N 393.443 3.634 0 40 GHAB O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1nnsc1Cl 59017139 HQPRCIHZJQKUBZ-INIZCTEOSA-N 398.875 3.897 0 40 GHAB COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1COc1cccc(Cl)c1 36624024 AURFSVHFWJKDET-NVXWUHKLSA-N 379.865 3.716 0 40 GHAB C[C@@]1(c2ccccc2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O 11376761 LJBDSDGDCNABBE-FQEVSTJZSA-N 381.819 3.962 0 40 GHAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12790681 YJEOTNNCCNPLTQ-LSDHHAIUSA-N 387.430 3.643 0 40 GHAB O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1C[C@@H](O)c1ccccc1F 28914905 CZQUABGGMUKVSE-QGZVFWFLSA-N 378.325 3.802 0 40 GHAB COc1cccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c1 3333578 SPVMQNAJKGPGSO-UHFFFAOYSA-N 395.286 3.730 0 40 GHAB COC(=O)c1ccc(CNC(=O)c2ccc(COc3ccccc3)cc2)cc1 3355171 YROMOPYSIKVXCC-UHFFFAOYSA-N 375.424 3.982 0 40 GHAB O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 61717904 JOQVHQKFSVTBFJ-KBMXLJTQSA-N 384.863 3.549 0 40 GHAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CCOc1ccc(Cl)cc1Cl 3301581 RUTFAEPNLDQTGE-IBGZPJMESA-N 391.254 3.766 0 40 GHAB C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 69370101 CCUIFVHWBYNNBZ-GDBMZVCRSA-N 390.405 3.978 0 40 GHAB COc1ccc(N(CC(=O)c2cc(C)[nH]c2C)S(=O)(=O)c2ccccc2)cc1 12860582 FTZWSOPBLFZVEG-UHFFFAOYSA-N 398.484 3.718 0 40 GHAB CCCn1c(C)cc(C(=O)COC(=O)c2cc(Cl)c(N)cc2OC)c1C 3534205 JQBJNYAUPVLHMA-UHFFFAOYSA-N 378.856 3.799 0 40 GHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccc(F)cc1 12911885 JXIPTMFWOZRSMF-UHFFFAOYSA-N 385.445 3.964 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cnc2c(cnn2C(C)C)c1 12999769 ZBJBINNNDAGQDA-HXUWFJFHSA-N 389.459 3.915 0 40 GHAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1cccc(C[S@](C)=O)c1 92645401 MIKXRFZZALIWSP-AREMUKBSSA-N 387.892 3.965 0 40 GHAB Cc1cc(S(=O)(=O)Nc2c(C)cccc2C(=O)O)ccc1Br 13464616 KWYFPKWWHBXHAJ-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB CN(C)CCn1cnc2c(c1=N)[C@H](c1ccco1)c1ccc3ccccc3c1O2 5346452 ZODKOYHXOVKKBR-IBGZPJMESA-N 386.455 3.956 0 40 GHAB Cc1ccc(/C=C/c2nc(=S)n(CN(C)Cc3ccc4c(c3)OCCO4)[nH]2)o1 14197734 OOWVYEWGYCMMSX-SOFGYWHQSA-N 398.488 3.873 0 40 GHAB CCc1nnc(NC(=O)[C@H](NC(=O)Cc2cccc3ccccc23)C(C)C)s1 14240963 DPKJJCJZZQUJML-LJQANCHMSA-N 396.516 3.576 0 40 GHAB C[C@]1(C(=O)C2=NNC[C@@H]2c2ccc(Br)cc2)O[C@@H]1c1ccccc1 5478233 JYTSIWCJAPORSQ-ATZDWAIDSA-N 385.261 3.591 0 40 GHAB CCc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)cc1 5451592 CPJPENYFMZUVIW-OAQYLSRUSA-N 375.472 3.503 0 40 GHAB COc1ccc(C)cc1Nc1nc(N)nc(COc2cccc3cccnc23)n1 4736691 UABQGOCRMZXYMF-UHFFFAOYSA-N 388.431 3.642 0 40 GHAB C[C@H](OC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc2ccccc2c1 6947355 BFRJAVJQBRAUHO-HNNXBMFYSA-N 391.423 3.724 0 40 GHAB COC(=O)[C@H]1C(=O)c2c([nH]c(C(=O)OC3CCCCCCC3)c2C)C[C@@H]1C 4916932 MHHZRJRWCRQQHM-BLLLJJGKSA-N 375.465 3.757 0 40 GHAB CCC(C)(C)NC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 7246018 IWGLUWJQVMLXLC-UHFFFAOYSA-N 379.460 3.796 0 40 GHAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 63146542 NATPRCYSILACLG-UHFFFAOYSA-N 378.208 3.720 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)c1cccc(I)c1 8085009 MILRLLPKHCABDF-UHFFFAOYSA-N 385.632 3.917 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(OC)cc1 35289570 KAFLZZBWOYUNBT-SFHVURJKSA-N 383.448 3.729 0 40 GHAB O=S(=O)(NCc1nc(-c2ccccc2)n[nH]1)c1ccccc1-c1ccccc1 69384064 LQJBZXFRTYFDHL-UHFFFAOYSA-N 390.468 3.617 0 40 GHAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc(C(F)(F)F)cc1Cl 8341112 JHELGMCRNQBWBV-UHFFFAOYSA-N 384.741 3.723 0 40 GHAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2c(c1)OCO2 8389358 APCFFURUTBWVJU-PBVNKPPYSA-N 398.503 3.711 0 40 GHAB O=C(Cc1ccccc1)Nc1cc(NC(=O)NCC[C@@H]2CCCO2)ccc1F 71808641 FCZAGAZFKWYMED-KRWDZBQOSA-N 385.439 3.698 0 40 GHAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)no1 9836503 WWSINGHBHOACFM-UHFFFAOYSA-N 380.429 3.697 0 40 GHAB O=C(c1ccc(Cl)s1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98212495 OPZGKOJGZUHZSO-UHFFFAOYSA-N 378.910 3.816 0 40 GHAB CC(C)CNC(=O)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306141008 VISYALVXNFEQSO-IBGZPJMESA-N 390.487 3.697 0 40 GHAB Fc1ccc(N2CCN(CCNc3c(F)c(F)c(F)c(F)c3F)CC2)cc1 95949198 CKSVLJODTHNWCL-UHFFFAOYSA-N 389.343 3.755 0 40 GHAB O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1c(Cl)nc2ccccn12 89878838 LCNMDRMOCVNJQR-CYBMUJFWSA-N 389.286 3.897 0 40 GHAB Ic1ccc(-c2noc(/C=C/c3cccnc3)n2)cc1 545634180 XMCCSBSDQUDCAV-FPYGCLRLSA-N 375.169 3.907 0 40 GHAB C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC(C)(C)C 60132093 SRVSBFHTBMRVQN-QMMMGPOBSA-N 384.320 3.757 0 40 GHAB CCOCCCNC(=O)C(=O)c1c(-c2ccc(OCC)cc2)cc2ccccn12 408675900 LQVYZOWPJMMUKC-UHFFFAOYSA-N 394.471 3.731 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NC3CCCC3)cc2)cc1 409343921 JHAZBIUKWBKDNA-UHFFFAOYSA-N 386.517 3.787 0 40 GHAB C[C@H]1Cc2cc(S(=O)(=O)N3CCCCCC3)ccc2N1C(=O)c1ccccc1 28207055 JGBVMCXHQXZFNX-KRWDZBQOSA-N 398.528 3.843 0 40 GHAB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)OC)c(OC)c2)c2ccccc21 409111887 CXGUBJOADVUHKQ-ATVHPVEESA-N 381.428 3.544 0 40 GHAB CCN(CC)C(=O)CN1CC[C@@H](c2cc(Cc3ccc(F)cc3)cc(C)n2)C1 72374732 LKYUGUACHBGOCL-HXUWFJFHSA-N 383.511 3.778 0 40 GHAB C[C@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)Nc1nc2ccccc2s1 61984091 WANZVTORYNWACL-GFCCVEGCSA-N 396.497 3.856 0 40 GHAB COc1ccccc1OCCNC(=O)c1cc(C)nc2c1cnn2C1CCCC1 71284117 ZQRBEBLPSLTCMA-UHFFFAOYSA-N 394.475 3.672 0 40 GHAB COc1ccc(NC(=O)N2CC3(CCCC3)[C@H]2C(C)C)c(S(C)(=O)=O)c1 562626245 OOKUTGIAZYSQMA-QGZVFWFLSA-N 380.510 3.531 0 40 GHAB Cc1nc([C@@H]2CCCCN2C(=O)C(C)C)nc2c1CC(=O)N2CC1CCCCC1 72371822 GVMQJYPZYKXTJO-IBGZPJMESA-N 398.551 3.964 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 224041364 QSZIGLAWUWHDNQ-MSOLQXFVSA-N 382.570 3.791 0 40 GHAB CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220131908 IGCULIQEBAWHTE-MRXNPFEDSA-N 388.533 3.913 0 40 GHAB CSc1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1C(=O)N1CCCCCC1 225213745 RLWXSSDUXJPFNK-HNNXBMFYSA-N 398.594 3.748 0 40 GHAB CC[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc(C)cc1C 222443656 KGWIUQJSOJLKPD-IBGZPJMESA-N 388.533 3.889 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCCCc1ccc(F)cc1)CCCC2 223321361 ZQMLUWJOVDXBLK-UHFFFAOYSA-N 377.481 3.624 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NS(=O)(=O)c1ccc(F)c(C)c1 225608706 JIELVOPXIPOGMA-QGZVFWFLSA-N 379.453 3.723 0 40 GHAB C[C@H](NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)c1ccn(C)n1 570175435 YPURWCYBICSTEM-JTQLQIEISA-N 387.431 3.546 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1 224093369 IBVWERMWKYEECG-IBGZPJMESA-N 388.895 3.662 0 40 GHAB CSc1ccc(S(=O)(=O)NCCCc2ccc(C)cc2)cc1NC(C)=O 222794901 XTUJPSNMUAVVHK-UHFFFAOYSA-N 392.546 3.586 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 224165719 YQVZQQJUQSLTIT-JOCHJYFZSA-N 396.531 3.934 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225327295 GELFYQWSXCZQGT-UHFFFAOYSA-N 392.496 3.658 0 40 GHAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(CCOC)c1C 222961435 PENQKWHOVZRALS-WOJBJXKFSA-N 386.565 3.919 0 40 GHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)c(OC)c1 224793927 ZVBFGSCGWDPDCZ-MOPGFXCFSA-N 381.457 3.869 0 40 GHAB Cc1c(CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)sc2ccc(Cl)cc12 576713929 HRZZFBAZPKCEPN-KBXCAEBGSA-N 389.908 3.991 0 40 GHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 44846525 HZDFDHMJYLLLKW-INIZCTEOSA-N 387.432 3.595 0 40 GHAB O=C(Cc1noc2ccc(F)cc12)N1CC2(CCOCC2)[C@H]1c1ccccc1 577723439 BHJGFUWFFKRCHE-OAQYLSRUSA-N 380.419 3.890 0 40 GHAB Cc1nc([C@@H]2CCN(C(=O)Nc3ccccc3N3CCc4ccccc43)C2)n[nH]1 583488905 TWAUIKHUJBCWED-QGZVFWFLSA-N 388.475 3.829 0 40 GHAB CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C\C(=O)O 96481900 OJZYRQPMEIEQFC-VFTIIKELSA-N 380.525 3.887 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N(Cc2cccc(F)c2)C2CC2)C1 91365371 SDWTXIKFRQZTBG-MRXNPFEDSA-N 376.472 3.964 0 40 GHAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)/C=C/c2ccccc2)C1 257259445 KYJYZZXYXYBDJP-CSHXORCISA-N 388.471 3.853 0 40 GHAB Cc1nc(C2CCN(C(=O)C(C)(C)C)CC2)cc(N2C(=O)OC[C@H]2C(C)C)n1 257245962 IRWMRYYECHOBED-KRWDZBQOSA-N 388.512 3.518 0 40 GHAB CCc1n[nH]c(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)c1C 257261677 LIJPSFBLRJJHTH-SFHVURJKSA-N 382.439 3.976 0 40 GHAB O=C(COc1cccnc1)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257258235 KSXVAJSETDCRKM-LJQANCHMSA-N 381.407 3.542 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)cn1 257325761 WUHKKOLAOYDJPF-KRWDZBQOSA-N 395.434 3.828 0 40 GHAB O=C(Nc1cc(F)ccc1SCC(F)F)c1ncc(Br)cn1 1126369758 ARSRYWVOOJIBQG-UHFFFAOYSA-N 392.200 3.988 0 40 GHAB COC(=O)[C@@H](NC(=O)[C@H](C)c1ccccc1C(F)(F)F)c1ccccc1F 610692645 HKKRUKLSYMPALR-BZNIZROVSA-N 383.341 3.979 0 40 GHAB Cc1cc(C2(C(=O)N[C@H]3C[C@H]3c3ccccc3C(F)(F)F)CCOCC2)on1 625039551 GHDNZIRYZMALQD-HOCLYGCPSA-N 394.393 3.722 0 40 GHAB CCC(CC)(NC(=O)[C@H]1CC[C@H](C(=O)O)NC1)c1ccc(Cl)c(Cl)c1 630683227 HLTOWJPRIISYNG-XHDPSFHLSA-N 387.307 3.578 0 40 GHAB Cc1nc(C)c(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)s1 90593062 ZONDSRHERLMLSY-UHFFFAOYSA-N 384.832 3.911 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC(Oc2cnccn2)CC1 90678124 OFEGTOAKZVUATC-UHFFFAOYSA-N 388.471 3.819 0 40 GHAB NC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cccnc2)CC1 585166484 FOBJUCNEAARYEQ-UHFFFAOYSA-N 399.494 3.699 0 40 GHAB COc1ccc(-n2ccc(CNC(=O)c3ccccc3C(F)(F)F)n2)cc1 55611539 BRZDQASXLRMZIH-UHFFFAOYSA-N 375.350 3.830 0 40 GHAB CCOc1ccc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 1615121190 NGWSTFATPNGBPY-UHFFFAOYSA-N 398.478 3.622 0 40 GHAB O=S(=O)(Nc1ccccn1)c1ccc(NC(=S)Nc2ccccc2)cc1 5598886 HWVKFSCSHOXNJK-UHFFFAOYSA-N 384.486 3.691 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 5683349 AFKXAMOOLPWWQN-NOCBQHASSA-N 386.561 3.969 0 40 GHAB COC(=O)c1c(NC(=O)COc2ccc(Br)cc2)sc(C)c1C 5861069 IGGONPOVAWYYLX-UHFFFAOYSA-N 398.278 3.932 0 40 GHAB Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)CC2CCCC2)cn1 12223163 QYVKDHDZYQBWBP-UHFFFAOYSA-N 393.491 3.913 0 40 GHAB Cc1ccccc1NC(=O)[C@@H]1C(=O)N[C@]23CCCC[C@H]2[C@H]1c1ccccc1O3 12660903 SJGLYUNTUZHSCL-RLBWGYBJSA-N 376.456 3.742 0 40 GHAB biogenic CCNC(=O)NC1=Nc2ccccc2N=C(C)[C@@H]1c1ccc(OC)c(OC)c1 14608051 BKNPSSZGQJLAQP-LJQANCHMSA-N 380.448 3.943 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCSc2ccccc21 16339466 LLABMOFFPGBZKH-KRWDZBQOSA-N 396.512 3.734 0 40 GHAB CCc1nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=S)n1-n1cccc1 16777810 ZSGLMSRSGOWHDN-UHFFFAOYSA-N 395.410 3.747 0 40 GHAB CC(C)c1cc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cs1 19452174 NRTUCNKSPHJOBH-UHFFFAOYSA-N 384.549 3.669 0 40 GHAB CCCN1CCC(C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)CC1 19502599 NFRTUYFFOKHBAR-GOSISDBHSA-N 376.472 3.764 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3cc[nH]n3)cc2N1 19520624 ZJMXACSQUAYEOA-KCPJHIHWSA-N 396.417 3.671 0 40 GHAB C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)Cc1cccc(F)c1 19575460 FWXAXUCOLBQJEL-GFCCVEGCSA-N 379.357 3.942 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1ccc(F)cc1F 208657179 GYAKLZLKYAXXKW-NTUHNPAUSA-N 380.397 3.701 0 40 GHAB CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(I)c2)cc1 5633002 LRFKHAPXEFPOJC-UHFFFAOYSA-N 394.212 3.810 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cccc(Cl)c1 6048010 KMAKSRSCILJKHB-UHFFFAOYSA-N 390.848 3.664 0 40 GHAB C[C@H](OC[C@H](O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccc(Cl)cc1 23401218 BYCCZDKUKJOPKR-XJKSGUPXSA-N 398.846 3.935 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H](c2cccc(-c3cnn4cccnc34)n2)C1 2037843756 HSVQFJIRTBJORO-OAHLLOKOSA-N 379.464 3.906 0 40 GHAB O=C(c1ccc(Br)cc1)N1CCN=C1SCc1cccnc1 4061168 XYKGXJNFTRSGPL-UHFFFAOYSA-N 376.279 3.589 0 40 GHAB COc1cc(OC)cc(C(=O)NCCSc2ncc(-c3ccc(C)cc3)[nH]2)c1 4315418 PAFNKZJAFVYECN-UHFFFAOYSA-N 397.500 3.924 0 40 GHAB CCCCCn1c(=S)[nH]c2cc(C(=O)NCc3cccnc3)ccc2c1=O 8625521 ZIRYWOOJKKOEEF-UHFFFAOYSA-N 382.489 3.574 0 40 GHAB O=C(CSCc1ccccc1)NC[C@H]1CN(c2cccc(Cl)c2)C(=O)O1 9100517 SEWQDPDCNGUXDW-KRWDZBQOSA-N 390.892 3.715 0 40 GHAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4ccc(C)cc4)c3)cn2n1 11693419 COYOQJGKHCRWEC-UHFFFAOYSA-N 388.427 3.974 0 40 GHAB Cc1ccc(C)c(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 11612714 UDMXKTBVRMIZGZ-SFHVURJKSA-N 386.517 3.875 0 40 GHAB O=C(c1cccc(Cl)c1)N1CC[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 2055725642 RYSAAHTULRZSRJ-UYAOXDASSA-N 376.928 3.693 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)C1(c2ccccc2)CCOCC1 1775967469 SSVFFCYCTIVWQG-KRWDZBQOSA-N 397.496 3.906 0 40 GHAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc2ccccc2c(=O)[nH]1 40012768 UKMKSBGAJUWDAO-FQEVSTJZSA-N 395.890 3.748 0 40 GHAB Cc1nc(C)c2c(C)c(C(=O)O[C@@H](c3nccn3C)C(F)(F)F)sc2n1 40157151 RWFGVXXUHJCISI-LBPRGKRZSA-N 384.383 3.810 0 40 GHAB O=C(NCCc1cccc2cccnc12)NC1CCN(Cc2ccccc2)CC1 31099130 OUXSJWUALOFPMM-UHFFFAOYSA-N 388.515 3.741 0 40 GHAB CCCc1nnc(NC(=O)COc2c(C)cc(Br)cc2C)s1 646416 QAASKJJZQMTWTJ-UHFFFAOYSA-N 384.299 3.887 0 40 GHAB Nc1nc(CSc2nnc([C@@H](O)c3ccccc3)n2-c2ccccc2)cs1 1099700 UQNBLUAJZIUIGM-INIZCTEOSA-N 395.513 3.680 0 40 GHAB CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@H]1c1ccc(Cl)cc1Cl 1392221 LCZLNMFWMGYHGF-VIFPVBQESA-N 382.165 3.976 0 40 GHAB COC(=O)Cc1c(C)c2ccc(OCc3ccc(F)cc3F)c(C)c2oc1=O 2150789 RRQWAXGTVDQXCM-UHFFFAOYSA-N 388.366 3.983 0 40 GHAB biogenic COc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C 2365594 NWSRXUWOSPFDND-UHFFFAOYSA-N 388.880 3.875 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1 2722995 IJRQLEROXFMHRD-UHFFFAOYSA-N 381.457 3.780 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 3017276 FMVATJHFIXJSMI-KRWDZBQOSA-N 380.444 3.635 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C(C)C)cc1 3265768 UIOZXOVUVQOPAU-UHFFFAOYSA-N 388.533 3.768 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccccc1 3293726 KAFOPTMWXNWVPC-UHFFFAOYSA-N 390.415 3.814 0 40 GHAB O=C(COC(=O)c1cncc(Br)c1)Nc1ccc2ccccc2c1 3317641 HFJLAIHAVFGMPH-UHFFFAOYSA-N 385.217 3.793 0 40 GHAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1cccc2ccccc12 3450423 XUURIWWLVGOHGH-UHFFFAOYSA-N 384.819 3.880 0 40 GHAB Cc1ccc(Cl)c(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1Cl 3595902 QEMOAFORLOKXGF-VOJFVSQTSA-N 398.290 3.741 0 40 GHAB O=S(=O)(c1ccccc1)N1[C@@H]2C=C[C@@H](C2)[C@@]1(C(F)(F)F)C(F)(F)Cl 4322054 KYWABYLIEAVAEM-UMNHJUIQSA-N 387.757 3.768 0 40 GHAB Cc1ccc(C(=O)Oc2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)c2)cc1 4592896 RSBMNXGVFRMWSQ-JSJNYSNDSA-N 375.424 3.750 0 40 GHAB O=C(COC(=O)Cc1ccc(Br)cc1)NCc1ccccc1Cl 4913265 XJCLBYYNNBFJNR-UHFFFAOYSA-N 396.668 3.505 0 40 GHAB COc1cccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)c1 5099499 XDNOIQWHNVKMIE-UHFFFAOYSA-N 382.460 3.648 0 40 GHAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)c2)nn1 5204268 FOYOYVKOGDPOIA-UHFFFAOYSA-N 383.473 3.960 0 40 GHAB COc1ccc(NC(=O)CSc2nccn2-c2cccc(F)c2)c(OC)c1 5263471 SIMQXXWRQQOWLS-UHFFFAOYSA-N 387.436 3.759 0 40 GHAB CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccccc2F)NC(=S)N1 5296558 IQZBTDOEEBFJCQ-MRXNPFEDSA-N 377.391 3.535 0 40 GHAB CCOc1c(Br)cc(C(=O)Nc2ccc3c(c2)OCO3)cc1OC 5552608 MCSXBUOOGVLWRE-UHFFFAOYSA-N 394.221 3.837 0 40 GHAB Cc1ccc(CN(C)C(=O)CSc2nncn2-c2ccccc2F)c(C)c1 5702515 CZMHWLDOQDENFQ-UHFFFAOYSA-N 384.480 3.774 0 40 GHAB O=C(CSc1nccc2ccccc12)Nc1ccc(N2CCOCC2)cc1 6403019 DNQNUBRDFSBIRQ-UHFFFAOYSA-N 379.485 3.802 0 40 GHAB Cc1c(C)c2c(OCC(=O)NCC(C)C)cc3c(c2oc1=O)CCC(C)(C)O3 6623829 WYMFGBHIQPWOPE-UHFFFAOYSA-N 387.476 3.664 0 40 GHAB biogenic COc1ccccc1N(CCOc1ccccc1)S(=O)(=O)c1ccccc1 6639859 GPJLGAIEUOJUFW-UHFFFAOYSA-N 383.469 3.970 0 40 GHAB CCn1nc(C(=O)Nc2nc3c(C)cc(C)cc3s2)c2ccccc2c1=O 6788414 PDAIUTJPVBKOGK-UHFFFAOYSA-N 378.457 3.895 0 40 GHAB Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 6929603 OWCBLQZDDQPTQV-HOTGVXAUSA-N 386.517 3.914 0 40 GHAB O=C(/C=C/c1ccco1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 7758398 URHGCEUFNYXRFN-CSKARUKUSA-N 390.395 3.590 0 40 GHAB Cc1cc(C)n2nc(C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)nc2n1 7783244 NNDRKFROUGWSFE-SFHVURJKSA-N 391.862 3.914 0 40 GHAB CCOc1ccccc1/C=C1\N=C(c2ccc(N3CCCC3=O)cc2)OC1=O 7925819 BQDIHVCCVVNGMD-JXAWBTAJSA-N 376.412 3.557 0 40 GHAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1sc3ccccc3c1Cl)C2=O 8192347 CRTZWCASLSLKSK-UHFFFAOYSA-N 391.880 3.700 0 40 GHAB O=C(NCc1ccc(F)cc1)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 8330108 GBOCVCPBCIOXGL-UHFFFAOYSA-N 392.217 3.608 0 40 GHAB COc1cc(CNC2CCCCCCC2)cc(Br)c1OCC(N)=O 8469995 WWFBQGCNFHNTDX-UHFFFAOYSA-N 399.329 3.524 0 40 GHAB O=C(COc1ccc(F)cc1Br)OCc1nc2ccccc2o1 8574541 JAYAFLUQNZFMEN-UHFFFAOYSA-N 380.169 3.852 0 40 GHAB Cn1c(SCCOc2cccc(Br)c2)nnc1-c1cccnc1 8745165 FQPLBMOLJZILTN-UHFFFAOYSA-N 391.294 3.811 0 40 GHAB CSc1nc2n(n1)[C@@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N2 8771515 DMABDMIDJHTYQU-HNNXBMFYSA-N 383.502 3.989 0 40 GHAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1CCSc1ccc(F)cc1 8943397 UZVWQGHDVBRLNT-SFHVURJKSA-N 376.478 3.763 0 40 GHAB CCOc1cccc2cc([C@@H](C)NC(=O)CNC(=O)c3cccc(C)c3)oc12 9254529 OPQDYNQJKAKRCT-OAHLLOKOSA-N 380.444 3.747 0 40 GHAB CCCCN1C(=O)c2ccc(C(=O)Nc3ccc4[nH]c(C)nc4c3)cc2C1=O 10656916 LUAAAEAVTVIZBI-UHFFFAOYSA-N 376.416 3.520 0 40 GHAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 10968072 OJKYVODHUJZHMD-OAHLLOKOSA-N 389.517 3.644 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)n1 11170114 BRVQWPLOHITWTC-UHFFFAOYSA-N 396.472 3.564 0 40 GHAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cn2ccccc2n1 12540328 KKIPBLFBDAMFMX-DEOSSOPVSA-N 396.450 3.524 0 40 GHAB COc1ccccc1[C@H](NC(=O)Cc1c(F)cccc1Cl)c1nccn1C 12551313 QQMOIKIQYFJSCW-IBGZPJMESA-N 387.842 3.670 0 40 GHAB CC(C)(C)c1cc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)on1 12569062 MWZRCEIMOSZKIE-HNNXBMFYSA-N 385.464 3.519 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)cc1 12584585 IFXWZIYWCIQKIH-UHFFFAOYSA-N 397.456 3.533 0 40 GHAB C[C@@H](NC(=O)CNC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl 12785758 WMADCZZIMMVTNN-GFCCVEGCSA-N 380.275 3.670 0 40 GHAB COCCn1cc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)ccc1=O 12862452 YOPYTNLYOKDVLC-HNNXBMFYSA-N 388.533 3.960 0 40 GHAB O=C(CCc1nc(-c2ccccc2)no1)NCC1(N2CCCCC2)CCCCC1 12909766 UKFBNNLPVKWZMH-UHFFFAOYSA-N 396.535 3.974 0 40 GHAB CCOC(=O)c1sc2nc(CSc3nc(C)cs3)nc(N)c2c1C 12936149 QGIZKFBFYAEQPW-UHFFFAOYSA-N 380.520 3.816 0 40 GHAB CC(=O)Nc1ccc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1 13015927 ARPNEVIRGJYDGA-NSHDSACASA-N 377.238 3.814 0 40 GHAB COc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c(OC)c1 13986835 KXOFPZWRSTXLCE-UHFFFAOYSA-N 377.824 3.700 0 40 GHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(C(F)(F)F)cc1 14163091 UMQPHOQSFKXEOV-HNNXBMFYSA-N 384.423 3.570 0 40 GHAB CC(=O)NCCNC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 15940753 IGYZXGKFEXFDBK-UHFFFAOYSA-N 383.451 3.921 0 40 GHAB CC(=O)N[C@H](CC(=O)N(C)CCOc1ccc(F)cc1)c1ccc(Cl)cc1 16173765 CBWDZQIIANICCN-LJQANCHMSA-N 392.858 3.584 0 40 GHAB Cc1ccc(Nc2nc(N3C[C@H](C)O[C@H](C)C3)nc3c2cnn3C)cc1Cl 18179493 POXUOHXNMMKGLF-BETUJISGSA-N 386.887 3.682 0 40 GHAB O=C1CC[C@@H](NCc2cnn(C3CCCCC3)c2)[C@H](c2cc(F)cc(F)c2)N1 19291888 JSINWZUYWISEID-CTNGQTDRSA-N 388.462 3.776 0 40 GHAB NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(CCc2ccccc2)C1 19371205 LUJQOXNYIDPAKG-VWLOTQADSA-N 385.511 3.711 0 40 GHAB CCN1CCC[C@](O)(c2nc(C)c(CCOc3ccccc3F)s2)CC1 19705427 RSLFXRHMSBHJMC-HXUWFJFHSA-N 378.513 3.906 0 40 GHAB Cc1cccc(C)c1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20037714 FBEJQCBXZILATD-UHFFFAOYSA-N 386.517 3.871 0 40 GHAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(CC(=O)O)cc2)c1 20152709 OMPKDFHLGJNKMX-UHFFFAOYSA-N 386.473 3.619 0 40 GHAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 20486572 ZVJJTKMEQUTMQP-KRWDZBQOSA-N 399.878 3.934 0 40 GHAB CCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 20767022 QXFDHPYHIAKQKB-UHFFFAOYSA-N 392.908 3.621 0 40 GHAB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccco1 20802647 HITBYCKAHSNTPF-MOPGFXCFSA-N 395.459 3.791 0 40 GHAB CC(C)c1nnc(NC(=O)c2cc(=O)c3ccc(Br)cc3o2)s1 21807419 RHLOXZCSTSKIDA-UHFFFAOYSA-N 394.250 3.783 0 40 GHAB CC[C@@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 22327146 GRTZRJXLVKRQBF-LJQANCHMSA-N 388.533 3.645 0 40 GHAB NC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCN(Cc1ccccc1)C2 23153826 LAWJUPKEKZAZQY-UHFFFAOYSA-N 397.544 3.924 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(Cn2ccnc2)cc1 27544945 SAOOMIDNLBFYPM-UHFFFAOYSA-N 386.455 3.754 0 40 GHAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)n1 27655174 NSVDAMHOTDQFBZ-UHFFFAOYSA-N 387.505 3.596 0 40 GHAB Cc1ccsc1CN(C[C@H]1CCCO1)C(=O)c1cc(=O)c2ccccc2o1 27992841 SXYOSNWXRXZOBV-OAHLLOKOSA-N 383.469 3.984 0 40 GHAB CN(Cc1nc(-c2cccs2)no1)C(=O)COc1cccc2ccccc12 28188727 JAFMXZUGBPHPQY-UHFFFAOYSA-N 379.441 3.989 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N(C)C)cc1 28290348 ZTZDRKIOZRATQS-LJQANCHMSA-N 378.472 3.751 0 40 GHAB C[C@H](NC(=S)NC(=O)c1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 32127607 ASYYSKGXCCMTCR-PXRHCINRSA-N 386.517 3.625 0 40 GHAB CCOC(=O)[C@@H](NC(=O)c1ccccc1)c1nnc(Nc2ccc(C)cc2)s1 32593937 NMYIPUSQKULGRA-INIZCTEOSA-N 396.472 3.624 0 40 GHAB Cc1ccc([C@@H](NC(=O)NCC(C)(C)N2CCOCC2)c2cccs2)cc1 32794838 NOUYXGFFXWVXSY-LJQANCHMSA-N 387.549 3.556 0 40 GHAB C[C@H]1C[C@@H](OC[C@H](O)CN2CCN(c3ccccc3F)CC2)CC(C)(C)C1 33293435 GFQKJOYOOVSYKW-IPMKNSEASA-N 378.532 3.540 0 40 GHAB CCCc1ccc([C@@H](NC(=O)c2cc3c([nH]c2=O)CCCC3=O)C(C)C)cc1 36395510 OKYOTDXFMNKUJZ-NRFANRHFSA-N 380.488 3.974 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 37123750 LFGJLTPKLHFJFU-LJQANCHMSA-N 376.391 3.787 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)c2cc(C)cc(C)c2)c1 40059965 YRDOHYSNOOEFGG-UHFFFAOYSA-N 389.521 3.628 0 40 GHAB CCN1CCN(Cc2ccc(NC(=O)c3ccc(CSC)cc3)cc2)CC1 40089812 WUWPXWRMNIINQM-UHFFFAOYSA-N 383.561 3.939 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)c1cc(F)cc(Br)c1)OCO2 40129406 OYLKWAYMPBYSQM-UHFFFAOYSA-N 380.169 3.772 0 40 GHAB Cc1cc(C(N)=O)ccc1NC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1Cl 41931392 WUXOQKCAGVCAHL-PKNBQFBNSA-N 394.862 3.893 0 40 GHAB O=C(c1ccc(Br)cc1F)c1ccccc1CN1CCOCC1 43211476 WVOPKGFYGJMCKJ-UHFFFAOYSA-N 378.241 3.651 0 40 GHAB C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)Cc1ccccc1Oc1ccccc1 45347292 PCPLBQKOWDZNIM-OAHLLOKOSA-N 375.490 3.697 0 40 GHAB CN(c1ccc2sc(C(=O)NCCC3=CCCCC3)cc2c1)S(C)(=O)=O 46057969 IISDCDBIGPZKLD-UHFFFAOYSA-N 392.546 3.917 0 40 GHAB Cc1c([C@H](C)NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)oc2ccccc12 46651130 WBLJAPKNMRNGDA-GJZGRUSLSA-N 378.428 3.733 0 40 GHAB Cc1sc2nc([C@H](C)N3CCN(c4ccccc4F)CC3)[nH]c(=O)c2c1C 57024353 YNUYBBFXKFGWFO-ZDUSSCGKSA-N 386.496 3.624 0 40 GHAB C[C@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCN(c2nccs2)CC1 57475487 QFAQMRJCQUCAKZ-LLVKDONJSA-N 385.320 3.599 0 40 GHAB CCc1ccccc1NC(=O)Cn1c(Nc2ccc(F)c(C)c2)nc(C)cc1=O 57507640 ZCMIACQNPGHFJD-UHFFFAOYSA-N 394.450 3.944 0 40 GHAB O=C1C[C@@H](C(=O)N2CCC[C@H]2Cc2ccccc2)CN1c1ccc(F)cc1F 58418963 ZUXXZZWFYDRQRV-AEFFLSMTSA-N 384.426 3.551 0 40 GHAB CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)N3CCCCC3)c2c1=O 65113497 CPOLESLRLMJODN-UHFFFAOYSA-N 392.503 3.678 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3ccc(Nc4ncccn4)cn3)C2)s1 72353330 SFTHLKDMPXCELK-HNNXBMFYSA-N 394.504 3.708 0 40 GHAB CCCn1cc(-c2cc(O)n3nc(COC)c(-c4ccc(C)cc4)c3n2)cn1 72391393 HFOLOFWWVALLIL-UHFFFAOYSA-N 377.448 3.830 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)NN(c3ccccc3)c3ccccc3)cnc12 84230295 OBMJGGXOGBUSLU-UHFFFAOYSA-N 384.439 3.574 0 40 GHAB CC[C@H](NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1)c1ccc(OC)cc1 84734123 UXPIKHGWKHDFHA-OALUTQOASA-N 385.485 3.984 0 40 GHAB COc1nc(C(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)cc2ccccc12 95381799 YLGVSZZKKZIWNC-UHFFFAOYSA-N 383.835 3.851 0 40 GHAB CC(C)CCc1noc(CCCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)n1 95394419 KLLTZFBICBNNTE-JOCHJYFZSA-N 396.491 3.590 0 40 GHAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)o3)n2)cc1C 95958925 BMPNQKJVSBNWDN-UHFFFAOYSA-N 390.486 3.984 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncccc3Cl)CC2)c1 96024859 ACFAOZPAHSSKTA-UHFFFAOYSA-N 380.897 3.584 0 40 GHAB CN1C(=O)[C@@H]2C[C@@H](CN2Cc2ccc(OC(F)(F)F)cc2)Oc2ccccc21 96111895 CPGPAPYYCDBUHL-RDJZCZTQSA-N 392.377 3.584 0 40 GHAB biogenic,in-vitro CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 96227356 BAONUAJLONKQEZ-RXVVDRJESA-N 398.894 3.638 0 40 GHAB CO[C@@]1(C)C[C@H](NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1(C)C 97212710 ZTWKIBQRMCZURW-SJCJKPOMSA-N 383.370 3.689 0 40 GHAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 100278146 FUQQTGSXKIQLGT-XSLAGTTESA-N 385.803 3.725 0 40 GHAB COc1ccc(CN(C)C[C@@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)c(OC)c1 101504406 LEBHBEFVGPLDNP-QKNQBKEWSA-N 389.536 3.506 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@@]2(C1)N(C(=O)OCc1ccccc1)CC2(F)F 117616553 CXENBQXGIMFLMQ-SFHVURJKSA-N 382.407 3.654 0 40 GHAB Cc1ccccc1-n1nc(C(=O)Nc2ccc([S@](C)=O)c(F)c2)c2c1CCC2 173222939 HWHOLHCRWQRMOA-NDEPHWFRSA-N 397.475 3.798 0 40 GHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(/Sc1nc2ccccc2o1)C(=O)O 211512924 VWGIZPYUXXYGPL-SWEABUAFSA-N 393.424 3.927 0 40 GHAB CCOc1cc(/C=C(\Sc2n[nH]c(CC)n2)C(=O)O)ccc1OC(C)C 213406217 HLGNBEYCIVLICZ-GDNBJRDFSA-N 377.466 3.771 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)[nH]2)cc1 216027950 PLBMTCDDKKXYLH-UHFFFAOYSA-N 396.472 3.688 0 40 GHAB CSc1cccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 222654318 SNZFTPLPDBAENF-UHFFFAOYSA-N 396.509 3.733 0 40 GHAB Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)c1 222715800 VZERXMDJZGQQOJ-GOSISDBHSA-N 394.515 3.856 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 223925004 VABDPKWLAXJZRM-QGZVFWFLSA-N 380.488 3.902 0 40 GHAB CCc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 224035114 FKKOVUMWCVVKFT-UHFFFAOYSA-N 386.517 3.605 0 40 GHAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1Cl 224159503 PJSSTBQALHNKDN-UHFFFAOYSA-N 386.879 3.580 0 40 GHAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C 224230100 SSUXBQGJJOYPLS-IBGZPJMESA-N 380.488 3.784 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 224309371 SEVXCWHYYSLNAT-CRAIPNDOSA-N 386.533 3.703 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCc1cccc(CN2CCCC2)c1 224615332 PYLDGMHTWYPBAF-UHFFFAOYSA-N 378.925 3.555 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 224654941 BCWZUFUJZIWQEX-IBGZPJMESA-N 382.504 3.626 0 40 GHAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCN(C)CC3)o2)cc1 224921390 HCHKSACIBUUDGJ-UHFFFAOYSA-N 391.471 3.795 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c(Cl)c1 225003786 DAEJEGAIFCZBAX-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB CCOc1ccc([C@@]2(C)NC(=S)N(c3ccc(Br)cc3)N2)cc1 225344467 KMODXXYFQUEOCA-KRWDZBQOSA-N 392.322 3.920 0 40 GHAB COc1ccc(Br)c(C(=O)NCCc2ccc(C(C)=O)s2)c1 225671964 KNNHWSOQTQCUJH-UHFFFAOYSA-N 382.279 3.694 0 40 GHAB CC1=NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3)ccc2N1CC(C)C 225867961 JZORRZMKOUKAAQ-UHFFFAOYSA-N 385.489 3.830 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2ccc(Oc3nccs3)cc2)n1 238845931 IIBIWCDLJALOQS-UHFFFAOYSA-N 389.458 3.750 0 40 GHAB Cn1nc(-c2ccccc2)cc1C(=O)N1CC[C@H](Oc2cccc3cccnc23)C1 252509356 YLYARZFGDYBRJE-IBGZPJMESA-N 398.466 3.929 0 40 GHAB Cc1ncncc1C(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257226953 FMYXGOLPHAZIFS-INIZCTEOSA-N 380.423 3.523 0 40 GHAB c1cc(-c2cncnc2)nc([C@@H]2CN(Cc3cccc4ncccc34)CCO2)c1 257249542 JIVITJJAQWRJDG-QHCPKHFHSA-N 383.455 3.660 0 40 GHAB CCc1noc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 257311544 UJZKRDOXQGADMC-SHTZXODSSA-N 395.463 3.694 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 260408863 PNVBGAISCCUAIL-QZTJIDSGSA-N 388.533 3.644 0 40 GHAB O=C(CSc1nnc(COc2ccccc2F)o1)Nc1ccc(F)cc1 409384786 DEIBVADUQNWYBX-UHFFFAOYSA-N 377.372 3.658 0 40 GHAB O=C(NCCc1cnn(-c2ccccc2)c1)N[C@H]1C[C@H](c2cccc(F)c2)C1 570029612 CWYBTHOLZIIMTG-KESTWPANSA-N 378.451 3.799 0 40 GHAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc3nccn3c2)cc1 585091765 KLNURFOAHWNSFE-UHFFFAOYSA-N 385.423 3.875 0 40 GHAB CC(C)C[C@@H](O)C(=O)N1CCC[C@@]2(CCCN2Cc2ccc(F)cc2)CC1 585100398 OWRHDWLJQHEVPC-IFMALSPDSA-N 376.516 3.580 0 40 GHAB Cc1cc(N2CCC[C@@H]3[C@H](NC(=O)C(C)(F)F)C(C)(C)[C@H]32)nc(C(C)C)n1 585137738 RJVSSCDNWLERNJ-KBMXLJTQSA-N 380.483 3.673 0 40 GHAB Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)ccn2)n1 585291336 NTUTUMKTMMJIKU-LKGOPFMKSA-N 388.475 3.671 0 40 GHAB CC(C)CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 8561204 INPWPSRSDPYBMZ-UHFFFAOYSA-N 396.487 3.836 0 40 GHAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 872582 BIDHTCJLOAFNGI-UHFFFAOYSA-N 382.489 3.932 0 40 GHAB COC(=O)c1ccc(OC)c(CSc2nnc(COc3ccccc3)o2)c1 875880 XXRXWECTLOCITN-UHFFFAOYSA-N 386.429 3.736 0 40 GHAB CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc(N)cc1 1222988 HRBKGMGJOLRZHP-UHFFFAOYSA-N 393.516 3.619 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3F)cc2c1 2352322 KTFXZTKNETXHMT-SFHVURJKSA-N 394.446 3.797 0 40 GHAB CCN(CC(=O)NC(C)C)C(=O)COc1ccc(-c2ccccc2)cc1Cl 22241657 TXPDJSTUMLNXDR-UHFFFAOYSA-N 388.895 3.759 0 40 GHAB CC(C)N(Cc1ccccc1)C(=O)c1cc2c(=O)n3ccccc3nc2s1 2722836 OGVSKXFSLDTKKX-UHFFFAOYSA-N 377.469 3.960 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 104201266 OQOJCBLAOBSUOK-HUHSQHJXSA-N 382.460 3.748 0 40 GHAB COc1ccc(Br)cc1CN(C)CC(=O)Nc1cccnc1Cl 7460498 RODNIOWTSZTXGJ-UHFFFAOYSA-N 398.688 3.577 0 40 GHAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2cccnc2)cc1 7499661 NECCKANLYZBQCQ-UHFFFAOYSA-N 399.450 3.899 0 40 GHAB CCn1c(SCc2cccc(C(=O)O)c2)nnc1-c1cccc(NC(C)=O)c1 7605212 KGLPOXUWPHDCAP-UHFFFAOYSA-N 396.472 3.914 0 40 GHAB COC(=O)c1ccccc1NC(=O)CSc1nc(C)cc(-c2ccccc2)n1 7623898 KNUAPBYCJCTWMU-UHFFFAOYSA-N 393.468 3.969 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(C(F)(F)F)c1 7842159 BLUSRRZMWYVJTQ-UHFFFAOYSA-N 382.357 3.623 0 40 GHAB COC(=O)c1ccc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1 21821174 NCDGQCJMIZRHJK-UHFFFAOYSA-N 378.446 3.547 0 40 GHAB Cc1nc(COc2ccc(CNC[C@H]3COc4ccccc4O3)cc2)cs1 24081633 LTVLDBBLSMOCHY-IBGZPJMESA-N 382.485 3.960 0 40 GHAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 24643754 QGYMKXREPYXRAL-XJKSGUPXSA-N 399.878 3.693 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)NCCOc2ccc(C)cc2)cc1OC 20462572 RMIWILSUDCOSIL-HNNXBMFYSA-N 375.490 3.688 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C(c2ccco2)=NN3c2ccccc2)cc1C 101460691 DUAZFZNBTWKWRO-FPOVZHCZSA-N 385.423 3.679 0 40 GHAB COC(=O)c1c(NC(=O)CN2CCSc3ccccc32)sc2c1CCC2 12610052 YNLUCWZHVAHTBX-UHFFFAOYSA-N 388.514 3.574 0 40 GHAB C[C@@H](NC(=O)c1coc(=O)c(Br)c1)[C@H]1[C@H]2C[C@@H]3C[C@@H]2CC[C@@H]1C3 102760005 PGLXEDMYMQAPFM-IKULHYJMSA-N 380.282 3.593 0 40 GHAB CCN(C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C)c1ccc(F)cc1 48291111 JYRYTQFETYPSEU-UHFFFAOYSA-N 381.455 3.631 0 40 GHAB C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)/C=C/c1cnc2ccccc2n1 95430429 QHVBKRAENNOUSF-UETGSQEOSA-N 396.491 3.547 0 40 GHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Oc2ccccc2Cl)CC1=O 69198144 YRSKJCHCSDRSMQ-NSHDSACASA-N 380.227 3.961 0 40 GHAB Cc1coc2cc3oc(=O)c(CC(=O)NC4(C(=O)O)CCCCC4)c(C)c3cc12 2111688 YSVUJQGXCSRXCE-UHFFFAOYSA-N 397.427 3.602 0 40 GHAB biogenic Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 59338784 NIUUGCNDJKOQAY-UHFFFAOYSA-N 391.406 3.541 0 40 GHAB Cc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 10447939 CFYJILMJRBLRPU-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB Cc1ccc2oc(CN3C[C@@H]4CCC[C@@H](C3)C4(O)c3nccn3C)c(C)c2c1 100150153 SRHBVUFWHMYBLU-ROUUACIJSA-N 379.504 3.903 0 40 GHAB CC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2C1=O 2329926 VRSNIPBHIDGBML-OAQYLSRUSA-N 398.462 3.967 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CSC(=S)N3CCCCC3)n2)c(C)c1 2392155 DQTRRJPNERBADJ-UHFFFAOYSA-N 388.566 3.818 0 40 GHAB C[C@@H]1CCc2nc3ccccc3c(C(=O)N3CCN(c4nccs4)CC3)c2C1 11188310 PAWTWHQTHSLALH-OAHLLOKOSA-N 392.528 3.779 0 40 GHAB O=C(Nc1nc(CC(=O)N2CC[C@H]3CCCC[C@@H]3C2)cs1)c1ccccc1 29122403 RBRJBOKYJRDQDD-NVXWUHKLSA-N 383.517 3.977 0 40 GHAB O=C(c1cccs1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 23137348 MEQJWKWVQBDOST-UHFFFAOYSA-N 375.544 3.891 0 40 GHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)c1nccc(C(F)(F)F)n1 29525311 KKKKJVBWLZCEGS-UHFFFAOYSA-N 379.169 3.877 0 40 GHAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(-n2cncn2)cc1 12988902 NQJYFFVKRXGDCT-MRXNPFEDSA-N 378.476 3.821 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)c3ccccc3SC[C@H]3CCCO3)cc2NC1=O 12939196 CHAZRCUBCRUQPP-UKRRQHHQSA-N 398.484 3.929 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)NC2CC2)cc1 12929747 SCODQDMDDKNUBE-UHFFFAOYSA-N 385.272 3.686 0 40 GHAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C1(c2ccccc2)CCOCC1 70640014 RQOQLDYJNXHYGE-GOSISDBHSA-N 393.405 3.603 0 40 GHAB CCCN(CC(=O)N1CCCc2cccc(F)c21)Cc1nnc(-c2ccco2)o1 13009215 ZLEVASBGYJFBMG-UHFFFAOYSA-N 398.438 3.660 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)NCc1nnc2ccccn12 24655955 YRLONBJOGJWYJF-UHFFFAOYSA-N 385.471 3.751 0 40 GHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccccc1Cl 8772312 OFULEPCVSPDXNP-UHFFFAOYSA-N 398.937 3.506 0 40 GHAB O=c1c2ccc(Cl)cc2ncn1C[C@@H](O)COc1cccc2ccccc12 14183561 CQCGZWZTQLUSFS-MRXNPFEDSA-N 380.831 3.643 0 40 GHAB CC(C)CC1=NN(C(=O)c2ccc(Br)cc2)[C@@](O)(C(F)(F)F)C1 4503245 IQMYGOGPKBCAKI-AWEZNQCLSA-N 393.203 3.948 0 40 GHAB Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Br)cc32)c1 4554991 MUMVQVZNEOXUDE-LJQANCHMSA-N 388.261 3.503 0 40 GHAB COc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 5483461 AVMZSKWWYHZTLR-UHFFFAOYSA-N 390.226 3.800 0 40 GHAB Cc1ccn2c(=O)cc(COc3ccc4c(C(C)C)cc(=O)oc4c3)nc2c1 14355898 CVRIDIWMJCUCNU-UHFFFAOYSA-N 376.412 3.812 0 40 GHAB CN(C)C(=O)[C@@H](OC(=O)CSc1nc2ccccc2s1)c1ccccc1 5506053 KNOZCBSRNHNMLW-KRWDZBQOSA-N 386.498 3.761 0 40 GHAB COc1cc(NC(=O)Cc2c(C)c3ccc(OC)c(C)c3oc2=O)cc(OC)c1 6660686 GZDKPDUYLKMOEW-UHFFFAOYSA-N 397.427 3.617 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C(F)(F)F)cc2)C[C@H]1C(=O)O 14632499 PBYOZHFYGUBOSZ-STQMWFEESA-N 375.343 3.547 0 40 GHAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1ccc2c(c1)CCCC2 5679600 TYLSUPCHSVEGGN-JOCHJYFZSA-N 394.496 3.593 0 40 GHAB COc1ccc(CC(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1F 7569352 YBTSOCZXFBXUNS-UHFFFAOYSA-N 380.799 3.935 0 40 GHAB O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(Cl)c1Cl 7777292 QXZWIIXYHJAOBH-GFCCVEGCSA-N 386.304 3.806 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1cccc(N2CCCC2=O)c1 7923906 GHNKVLQIACFRCQ-UHFFFAOYSA-N 389.249 3.593 0 40 GHAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(CN3CCCCC3)cc2)cc1 16402365 LVSAGCMUKYPXPQ-KRWDZBQOSA-N 396.487 3.865 0 40 GHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)NCCO[C@@H]3CCCC[C@@H]3C)c2)n1 69518402 VDVVMBUDYURKQW-HNAYVOBHSA-N 398.507 3.716 0 40 GHAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(C(=O)O)c(O)c1 20144800 AHETYZVVKKKRSL-UHFFFAOYSA-N 394.221 3.649 0 40 GHAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(OC)c(F)c2)C1=O 9500825 UPFFREKUFUQMKJ-LJQANCHMSA-N 376.815 3.845 0 40 GHAB Cc1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 22273460 YSTKHLLFVFJGBK-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccc(F)cc1 22516224 VFDMUUZGIKKLAB-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB COc1ccc(C(=O)C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)cc1 95961056 PPXYMNUEUSCEMC-UHFFFAOYSA-N 375.428 3.888 0 40 GHAB COc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)c1 408674223 YJOPDXUYJOWQAJ-KPOBHBOGSA-N 390.439 3.649 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)CN1CCN(CCc2ccccc2)CC1 22915785 MDJGNDKLOQARPI-UHFFFAOYSA-N 379.548 3.917 0 40 GHAB CCCC[C@H](CC)CNC(=O)c1cc(-n2cnnc2)ccc1Br 35684174 WPPOWMLLEUUMLB-ZDUSSCGKSA-N 379.302 3.976 0 40 GHAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCCc1cn2ccccc2n1 30558679 XTOKXGXJHLACQM-UHFFFAOYSA-N 394.475 3.802 0 40 GHAB O=C(NCc1cnc(C2CC2)o1)N1CCC(c2noc3cc(F)ccc23)CC1 517013295 HZDCHXGVTDEOAV-UHFFFAOYSA-N 384.411 3.922 0 40 GHAB CCOC(=O)N[C@@H](CC(=O)NCCc1c[nH]c2ccccc12)c1ccccc1 408976317 ALFKVSQDTWJWQL-FQEVSTJZSA-N 379.460 3.704 0 40 GHAB CCn1cc(CN2CC[C@@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)c(C)n1 72371596 AZFFEZJLIRQADH-QGZVFWFLSA-N 397.498 3.685 0 40 GHAB COc1cccc(-n2cc(C(=O)O)c3c2[C@@H](c2cccc(F)c2)CC(=O)N3)c1 66087463 IYGCZJNKVZWMCV-MRXNPFEDSA-N 380.375 3.797 0 40 GHAB CC(C)c1nccn1-c1cncc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 72378481 BMQHUXCXQGLIEN-LJQANCHMSA-N 393.466 3.831 0 40 GHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 219293708 KXIPOPFDNYALBM-NSHDSACASA-N 377.853 3.877 0 40 GHAB COc1ccccc1-c1c2c(=O)n([C@H]3CCCC[C@H]3C)ccc2nc2ncnn12 40398145 GLGALRXNRVUWDP-PBHICJAKSA-N 389.459 3.866 0 40 GHAB CCSc1nnc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)s1 225476670 XFOFSPBFAHGMJG-UHFFFAOYSA-N 387.552 3.891 0 40 GHAB CN(c1ccc(CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(C)(=O)=O 225977221 YITBQABLZABVIT-UHFFFAOYSA-N 387.288 3.570 0 40 GHAB CCN(c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1)S(=O)(=O)CC 222394871 DUMFHSVHQFGJPQ-UHFFFAOYSA-N 384.860 3.907 0 40 GHAB CCOC1(C(=O)Nc2ccc(OCC(=O)N3CCCC3)cc2)CCC(C)CC1 225719877 OTQZQFAXMVUEQE-UHFFFAOYSA-N 388.508 3.612 0 40 GHAB Cc1ccc(CN(C)C(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 224012590 ZPQQLTBSTZLKKR-UHFFFAOYSA-N 388.533 3.508 0 40 GHAB CCSc1ncc(Cl)c(C(=O)NCCC(=O)Nc2ccc(CC)cc2)n1 41156164 SOSDPNDXEVZURN-UHFFFAOYSA-N 392.912 3.563 0 40 GHAB COC(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 40132234 ZZJJOCPTAZRCJG-UHFFFAOYSA-N 380.425 3.784 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 224775280 SRLGADTXVOWAOQ-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1 44903602 YYXYLTXFOGLJGW-UHFFFAOYSA-N 380.897 3.835 0 40 GHAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 222438029 FUQQTGSXKIQLGT-VSZNYVQBSA-N 385.803 3.725 0 40 GHAB CCc1ccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1 220262301 DLDDMWOWEBHRMG-CYBMUJFWSA-N 380.897 3.696 0 40 GHAB Cc1nc(-c2c(C)noc2C)cc([C@@H]2CCCN2C(=O)c2ncccc2C)n1 257240454 HTOGGVVVEYSAMF-SFHVURJKSA-N 377.448 3.738 0 40 GHAB O=C(Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1)c1cccs1 250103981 YQXOFKIBSLKMHW-UPHDCGPKSA-N 391.448 3.525 0 40 GHAB COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc(C)cc2c[nH]nc12 588102046 FEWMHRUWEQROOW-GOSISDBHSA-N 379.460 3.701 0 40 GHAB CCN(CC)Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)o1 589580637 OPMMIFNQILGNFF-GOSISDBHSA-N 384.476 3.870 0 40 GHAB CCOc1ccccc1NC(=O)NCCc1csc(-n2nc(C)cc2C)n1 90609371 HHZCELJJMWUCNR-UHFFFAOYSA-N 385.493 3.709 0 40 GHAB O=C(NCc1ccc(C(=O)c2cccs2)s1)c1ccc2nsnc2c1 90610571 SEXGLFUCMZHPFJ-UHFFFAOYSA-N 385.495 3.975 0 40 GHAB C=CC(=O)Nc1ccc(C(=O)N2CCc3sc(Br)cc3C2)cc1 1629457953 MGLZECKDPUOYOG-UHFFFAOYSA-N 391.290 3.834 0 40 GHAB COC(=O)[C@H]1CN(C(=O)Nc2ccccc2OC(F)(F)F)Cc2ccccc21 599718870 RJRSGGYFVYRDHR-AWEZNQCLSA-N 394.349 3.890 0 40 GHAB O=C(NCCn1ccc(-c2ccncc2)n1)C1c2ccccc2Oc2ccccc21 96026145 PGHGFMMKUCMEJX-UHFFFAOYSA-N 396.450 3.999 0 40 GHAB Cc1cccnc1N=c1[nH]ccnc1[C@H]1CCCN1C(=O)/C=C/c1ccccc1 585292897 UDYRNLXURDDUKZ-TZZQJPOUSA-N 385.471 3.722 0 40 GHAB O=C(NCc1ccco1)c1cccc(Cn2cnc3ccc(Cl)cc3c2=O)c1 54914735 ZSAZWWUXPPZSEH-UHFFFAOYSA-N 393.830 3.621 0 40 GHAB COc1cc(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc2c1OCCO2 95465832 GLCCRTPZVBQORP-SFHVURJKSA-N 383.419 3.971 0 40 GHAB O=C(COc1ccccc1I)Nc1ccccc1Cl 1433635 MDAAZLSVZATWJW-UHFFFAOYSA-N 387.604 3.962 0 40 GHAB O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3314106 GEAXKDDISIIEEP-IZZDOVSWSA-N 390.892 3.776 0 40 GHAB CC(C)(C)C1=NN(CC(=O)Nc2nccs2)C(=O)c2cc3ccccc3n2C1 12117964 QCPQMGHNLKNTDZ-UHFFFAOYSA-N 395.488 3.594 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 12181428 SALYKJXPYGHQDN-JIMOISOXSA-N 399.442 3.933 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 12588295 ILNPPEBYSRMAMG-KZJGQSRWSA-N 388.460 3.976 0 40 GHAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1c(Cl)cccc1Cl 12655104 RGAQRFJUHXSSHD-UHFFFAOYSA-N 378.215 3.525 0 40 GHAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(Br)c1 12804739 MLPJRZGPHZXILQ-UHFFFAOYSA-N 398.260 3.615 0 40 GHAB O=C(CSc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2)NC1CC1 12906152 FQLZSRGYYXWOER-UHFFFAOYSA-N 384.545 3.756 0 40 GHAB CC[C@@H](C(=O)Nc1c(F)cccc1F)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716663 DBYKEIMMJMZJNQ-KRWDZBQOSA-N 396.459 3.765 0 40 GHAB O=C(OCc1ccc(F)cc1Br)c1ccc(Cn2cncn2)cc1 14148802 QJNPITPPOXAJRD-UHFFFAOYSA-N 390.212 3.585 0 40 GHAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccnc2)C1)c1cccs1 19400746 BMSUIFSKDWZQQA-RXVVDRJESA-N 392.528 3.921 0 40 GHAB Cc1nn(C[C@H](C)C(=O)N2CCCC[C@@H]2CCN2CCCC2)c(C)c1Cl 19578144 AFDRAOUHPXXHOV-MAUKXSAKSA-N 380.964 3.656 0 40 GHAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cnccn4)CC3)c2)cc1 19691100 ZXQKQPUVICKISD-UHFFFAOYSA-N 388.471 3.875 0 40 GHAB Cc1cccc(OCCCn2cncc2-c2sc(N3CCOCC3)nc2C)c1 19719376 WAIOMLGUIYDHQK-UHFFFAOYSA-N 398.532 3.929 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937732 IVLNZIKTWFQDCI-CYBMUJFWSA-N 397.862 3.519 0 40 GHAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccncc1 6355941 PVUFCZVKGXWHTD-KIHMUJGBSA-N 385.265 3.950 0 40 GHAB N=C(N[C@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl)c1ccccc1 3109662 POLAHCNHSVWTSN-OAHLLOKOSA-N 388.657 3.867 0 40 GHAB CC[C@H](CN(C)C(=O)c1ccnc2ccnn12)Oc1ccc(Cl)c(Cl)c1 626626551 QCTLKNNNAFPKLL-GFCCVEGCSA-N 393.274 3.966 0 40 GHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cc[nH]n3)cc2N1 12087575 LOKBHJVTIQTNNN-AEGPPILISA-N 396.417 3.527 0 40 GHAB CC[C@@H](C)CNC(=O)C1CCC2(CC1)CNC(=O)c1cc(Cl)ccc1O2 19499912 FRKZNRHZXZYLTC-WCGZIJFHSA-N 378.900 3.554 0 40 GHAB COc1ccc([C@@H](CC(=O)N[C@@H]2CCSc3ccccc32)NC(C)=O)cc1 11741775 NZPJJEKIQANFSZ-RTBURBONSA-N 384.501 3.616 0 40 GHAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCCN1C(=O)c2ccccc2C1=O 23504544 QLHQQBOYOKKVKP-ZDUSSCGKSA-N 386.398 3.561 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1)c1ccco1 23897250 BSGVGMOPEAWMPG-HXUWFJFHSA-N 376.412 3.746 0 40 GHAB Cc1nccc(OC2CCN(C(=O)NCc3cccc4ccccc34)CC2)n1 585146997 GWAIWRKKOMFQAE-UHFFFAOYSA-N 376.460 3.691 0 40 GHAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2ccc3nsnc3c2)C1 77200226 NIJZYGQSGIXUPZ-CVEARBPZSA-N 396.472 3.981 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1S(=O)(=O)N1CCCCCC1 103049234 SECMOGOIAKHRPE-JENIJYKNSA-N 388.533 3.710 0 40 GHAB COc1cccc([C@H]2CCCN2C(=O)Cc2ccc(N3CCCC3=O)cc2)c1 40034409 AANOESZYJCWSMB-OAQYLSRUSA-N 378.472 3.728 0 40 GHAB O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc(F)cc1Br 40074138 JETAZJZEVZNLLT-UHFFFAOYSA-N 379.185 3.797 0 40 GHAB CC(C)N(C[C@H]1CCCN(C(=O)NCc2ccco2)C1)C(=O)OC(C)(C)C 50076715 WCZOGTKFKAMVPZ-INIZCTEOSA-N 379.501 3.847 0 40 GHAB O=C(Nc1ccc2c(c1)CCC2)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 40115359 SEKRENRTFFSJAB-UHFFFAOYSA-N 399.447 3.696 0 40 GHAB O=C(Nc1ccc(-n2cncn2)nc1)c1cccc(OCc2cccs2)c1 30897830 PCDRWMAHJHCBAW-UHFFFAOYSA-N 377.429 3.555 0 40 GHAB O=C(Nc1ccc(F)cc1F)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955308 SBIKUPYNAQRUPY-UHFFFAOYSA-N 398.413 3.866 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc2c(OC(F)F)cccc2[nH]1 31279097 UCCJFNFWLRDWLW-LBPRGKRZSA-N 388.370 3.681 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nc(NC2CC2)c2ccccc2n1 31785225 JHWNUHXALBPSHV-CYBMUJFWSA-N 396.520 3.674 0 40 GHAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(-c3ccccc3F)o1)C2 32072763 NRAWDGRZFSLNRV-MRXNPFEDSA-N 386.404 3.793 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1 20733765 DWYFTBYGCCHRKE-CTNGQTDRSA-N 394.471 3.802 0 40 GHAB COc1ccc(N(C(=O)c2cn(-c3ccc(F)cc3)nn2)[C@H](C)C2CC2)cc1 102248938 OFXLNZSVXDYDEF-CQSZACIVSA-N 380.423 3.860 0 40 GHAB O=C(Nc1ccccc1)N1CCN(C(=O)c2ccccc2SC(F)F)CC1 32899589 YXCKQLPCQZLTHX-UHFFFAOYSA-N 391.443 3.991 0 40 GHAB O=C(COC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccccc1 830895 VKDAKGGGDMRZJC-UHFFFAOYSA-N 387.185 3.595 0 40 GHAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(C)c2)C1=O 2153543 KGJRZTDWDVYJFW-NZQKXSOJSA-N 387.483 3.571 0 40 GHAB biogenic O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1c1nncs1 2704793 NVQHENNEFUIPHH-HNNXBMFYSA-N 379.372 3.533 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C 3486902 MJLAEQMLKPMWNK-UHFFFAOYSA-N 381.505 3.598 0 40 GHAB CC(C)Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccc1F 3506839 ISNDBBSOPPGGEF-UHFFFAOYSA-N 376.501 3.891 0 40 GHAB Cc1c(Cl)ccc2sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)nc12 4518063 CHKFAEJGDUCWKI-UHFFFAOYSA-N 380.878 3.914 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 4696188 BIIUZYVGGHFVAV-LBPRGKRZSA-N 396.896 3.678 0 40 GHAB Cc1ccc(C(=O)N/C(=C\C=C\c2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 4697038 HSLPZAXGJIMTOE-KCHGMJQKSA-N 390.483 3.617 0 40 GHAB Cc1ccc(OCC(=O)N2N=C(CCC(C)C)C[C@@]2(O)C(F)(F)F)cc1C 5024523 XZXMRXAUEBOFKL-GOSISDBHSA-N 386.414 3.958 0 40 GHAB CCOc1cccc(-c2nnc3sc(-c4ccc(OC)c(OC)c4)nn23)c1 5047239 WNRZOUPVJFBZAH-UHFFFAOYSA-N 382.445 3.936 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 5212182 PMTKKDWISWWFEN-LPHOPBHVSA-N 394.471 3.791 0 40 GHAB CN(C)CCn1cnc2c(c1=N)[C@@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 5346975 MNXDBFCWKKDMCG-SFHVURJKSA-N 396.878 3.569 0 40 GHAB CCC(=O)Nc1ccc2nc(SCC(=O)Nc3nccs3)sc2c1 5710919 QWDISJAFFKGPAG-UHFFFAOYSA-N 378.504 3.832 0 40 GHAB COc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 6056890 LSALSIKUCOKPNF-NSHDSACASA-N 398.242 3.951 0 40 GHAB COC(=O)[C@H]1CN(C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c2ccccc2O1 6810868 ISNQHFJDAYWQTD-MGPUTAFESA-N 383.444 3.545 0 40 GHAB O=C(c1ccccc1)c1ccc(OC[C@H](O)CNCc2ccc(F)cc2)cc1 6936436 WEVNGECEEHLLOR-OAQYLSRUSA-N 379.431 3.586 0 40 GHAB Cc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1S(=O)(=O)N(C)C 7167814 VZZAWXRWEYKYDN-UHFFFAOYSA-N 383.926 3.708 0 40 GHAB Cn1nnnc1SCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 7524504 LDEGBJREHCQOMO-UHFFFAOYSA-N 384.292 3.659 0 40 GHAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O 8107038 IVXAOMJUCVYWKO-VCHYOVAHSA-N 385.441 3.949 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2 8225328 KXIXXHBIIVRFTF-NSHDSACASA-N 387.379 3.516 0 40 GHAB CCN1CCC[C@@H]1CNC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O 8764873 BKJHJRTVDZQRLQ-MRXNPFEDSA-N 396.487 3.607 0 40 GHAB biogenic CCOC(=O)Cc1cc(O)n2nc(Cc3ccccc3)c(-c3ccccc3)c2n1 8914279 AEIHFMSDCDHHEY-UHFFFAOYSA-N 387.439 3.798 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc2nc(-n3cccc3)sc2c1 8992418 LHLCBUGFLJSQDD-UHFFFAOYSA-N 377.425 3.746 0 40 GHAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(F)cc(F)cc3s2)nn1C 9002401 YMLWJGZFQFABGZ-UHFFFAOYSA-N 399.426 3.858 0 40 GHAB O=C(Nc1ccnn1Cc1cccs1)c1ccc(OC[C@@H]2CCCO2)cc1 9336840 BBVLOGOGDFKMLE-KRWDZBQOSA-N 383.473 3.803 0 40 GHAB O=C([C@H](Sc1nc2cc(Cl)ccc2[nH]1)c1ccccc1)N1CCOCC1 9366972 IQRZAKQWSUDIAW-QGZVFWFLSA-N 387.892 3.909 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)no1 9503264 OXLVNDWYQSZNMI-CYBMUJFWSA-N 383.477 3.620 0 40 GHAB Cc1ccc2c(CC(=O)N3CCN(c4ccccc4Cl)CC3)cc(=O)oc2c1 9704784 GHDXTJCGUDNORM-UHFFFAOYSA-N 396.874 3.646 0 40 GHAB COc1ccc(N(CCCC(=O)Nc2ccccc2)S(C)(=O)=O)cc1Cl 10335770 KRSVABNUDFBZLI-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 11166277 KMMPIVLXVMXDFU-UHFFFAOYSA-N 386.923 3.841 0 40 GHAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 11512839 HHGBISNKAUFKQW-MRXNPFEDSA-N 396.487 3.593 0 40 GHAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccccc3OC(F)F)ccc21 12565417 KRBPVWSNPQKUEW-LBPRGKRZSA-N 389.402 3.636 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1cc(OC)cc(OC)c1 12757982 WFRLIZLMZCBSHP-AUECHBEKSA-N 382.460 3.884 0 40 GHAB Cc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1F 12795173 SQGBJQDEPYIIJC-UHFFFAOYSA-N 385.464 3.813 0 40 GHAB CC(C)c1nnc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)s1 12805753 VAIBEDIFRZUFPI-UHFFFAOYSA-N 391.456 3.613 0 40 GHAB CCc1nn2c(=O)cc(CNC(c3ccccc3)c3ccccc3)nc2s1 12820642 RGVJUYXKBLKFLI-UHFFFAOYSA-N 376.485 3.593 0 40 GHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cnn(Cc2ccccc2)c1 12919976 IPLFBLPVZAUAEC-UHFFFAOYSA-N 380.536 3.850 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3SC[C@H]3CCCO3)cc2NC1=O 12939190 CHAZRCUBCRUQPP-DZGCQCFKSA-N 398.484 3.929 0 40 GHAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1 16042509 BQQRQUQCMRJRHT-HXUWFJFHSA-N 395.411 3.649 0 40 GHAB biogenic Cc1cc(-c2csc(NC(=O)c3cc(=O)[nH]c4ccccc34)n2)c(C)n1C 16045167 VAVPEIYQSZNODH-UHFFFAOYSA-N 378.457 3.859 0 40 GHAB O=C(OCc1cc(-c2ccco2)on1)C(O)(c1ccccc1)c1ccccc1 18359231 VVCDSIAWUGROLV-UHFFFAOYSA-N 375.380 3.914 0 40 GHAB CC(=O)N1CC[C@@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC(C)C)C1 19212475 HDSDKIDOHRBQCM-DEOSSOPVSA-N 378.516 3.968 0 40 GHAB Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)Cc2ccccc2F)n1 19290065 IXOZHSBTCYGJKN-FQEVSTJZSA-N 378.451 3.918 0 40 GHAB c1csc(CN2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 19343424 VHWRQBDGNAMCPS-MRXNPFEDSA-N 394.548 3.908 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)NCCN3CC[C@@H](c4ccccc4)C3)cc2)n1 19656077 WTKUVCKZCKMHDO-JOCHJYFZSA-N 388.515 3.708 0 40 GHAB Cc1nn(C)cc1CN1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 19687414 FEGAFFZVPBMJJT-FQEVSTJZSA-N 394.498 3.728 0 40 GHAB Cc1ccc(/C=C2/SC(=O)N(CN3CCN(c4ccccc4)CC3)C2=O)cc1 20266097 MZZHBQCKLBHDAB-HMMYKYKNSA-N 393.512 3.811 0 40 GHAB Cc1cc(Cl)ccc1OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 20347327 XEIOTVVDYRGZKK-LJQANCHMSA-N 395.330 3.864 0 40 GHAB Cc1[nH]c2ccc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)cc2c1C 23156407 ULOJPROJFLJTFJ-QFIPXVFZSA-N 395.478 3.727 0 40 GHAB CN(C)[C@H](CNC(=O)c1ccc(Br)o1)c1cn(C)c2ccccc12 23239920 JBIKMXRCCPFCIG-OAHLLOKOSA-N 390.281 3.567 0 40 GHAB O=C(NC1(c2ccccc2)CCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 25065848 LHNYUUJZLWQNSJ-UHFFFAOYSA-N 398.528 3.670 0 40 GHAB COc1ccccc1-c1cc(COC(=O)CCNC(=O)c2ccccc2C)on1 26278544 GCDCTNBVIXDMMS-UHFFFAOYSA-N 394.427 3.522 0 40 GHAB CN(C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 27173745 UAMCSEJBEBPUAI-UHFFFAOYSA-N 398.459 3.832 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc(Br)cc1 27298773 UBOBIEAJKFWSLE-ZDUSSCGKSA-N 375.266 3.525 0 40 GHAB Cc1nc(CSCCC(=O)NCc2ccc(N3CCCC3=O)cc2)cs1 30398944 MTQUREPVHLAOFZ-UHFFFAOYSA-N 389.546 3.518 0 40 GHAB Cc1ccc(SCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 31682478 AVDVJWZYCRTRQV-UHFFFAOYSA-N 375.515 3.682 0 40 GHAB O=C(C[C@@]1(O)C(=O)Nc2c(Cl)cccc21)c1ccc(Br)s1 32087651 BTFNMJWHRTXPAG-AWEZNQCLSA-N 386.654 3.577 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)C1=Cc2ccccc2CC1 32679009 JGGGIMDJVPTABR-OAHLLOKOSA-N 384.501 3.944 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 32810713 TWZZKDQFSBSAIB-FQEVSTJZSA-N 392.455 3.679 0 40 GHAB COc1ccc(CCN(C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1OC 33014937 UTXJDGSIRZYDJO-RBBKRZOGSA-N 399.531 3.633 0 40 GHAB CC(C)OCCCNC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1 33170751 FQSCWELUMZSKGP-UHFFFAOYSA-N 398.507 3.804 0 40 GHAB COc1ccc(S[C@H](C)C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1OC 36067586 AFWAYDLARAHQEL-YESZJQIVSA-N 394.581 3.669 0 40 GHAB Cc1nnsc1-c1nn2c(Cc3c(Cl)cccc3Cl)nnc2s1 36359265 XRXAVPDALJYLSM-UHFFFAOYSA-N 383.289 3.910 0 40 GHAB O=C(O)CCCCCNC(=O)CCn1ccc2cc(Br)ccc21 36359432 YEHUECLMPQRNCC-UHFFFAOYSA-N 381.270 3.555 0 40 GHAB Cc1ccc(-n2ncc([C@H](C)NC(=O)c3cnn4c(C)cc(C)nc34)c2C)cc1 36393379 WINATSJHAJZYFQ-INIZCTEOSA-N 388.475 3.640 0 40 GHAB Cc1ccnc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1 40086547 ZDUYWZSBNSYSRH-HNNXBMFYSA-N 378.259 3.940 0 40 GHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CCN(Cc2cccnc2)CC1 40103227 KKCVITNYAMKTES-UHFFFAOYSA-N 396.825 3.686 0 40 GHAB O=C(C[C@H]1OC(=O)c2ccccc21)NCc1cccnc1Oc1cccc(F)c1 40106615 NUENMAIZOLROCK-LJQANCHMSA-N 392.386 3.931 0 40 GHAB CN(C)[C@H](CNC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccs1 43143377 PLNGOHBERPBWJX-QZTJIDSGSA-N 389.521 3.730 0 40 GHAB COc1ccc2nc(NC(=O)c3csc(NC[C@H]4CCCO4)n3)sc2c1 44892994 CPFJJPRAXHQYLJ-LLVKDONJSA-N 390.490 3.605 0 40 GHAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccnc(-n2cncn2)c1 53798545 IRFIOOJYLNAICQ-LLVKDONJSA-N 376.247 3.802 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(COc2ccccc2)o1 56900979 SZOFDKFQXYPUCE-UHFFFAOYSA-N 394.214 3.973 0 40 GHAB CC(C)C[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1 57669625 IJJTXVLTYBRQSS-FQEVSTJZSA-N 386.519 3.837 0 40 GHAB O=C1CCCN1C[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 58099937 VYIOITWWJAKGBB-SFHVURJKSA-N 386.879 3.565 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)[C@H]1C[C@H]1c1cccc(Cl)c1 58224827 KOXCQRIUKUOQJU-OALUTQOASA-N 379.847 3.687 0 40 GHAB O=C(c1ccc(Sc2ccccn2)cc1)N1CCC(C(=O)N2CCCC2)CC1 58439800 XFAACADHHFEHFM-UHFFFAOYSA-N 395.528 3.707 0 40 GHAB Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@]2(C)C[C@@]32NC(=O)c3ccccc3O2)o1 72338772 BHBTVKSATJLZAR-OZEDYNDGSA-N 394.471 3.549 0 40 GHAB O=C(c1ccncc1)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 72362109 AVNBQQFSZDNFSM-UHFFFAOYSA-N 378.407 3.823 0 40 GHAB COc1ccc(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)nc2)cc1OC 72401427 UBFGTIUKQBMRKL-UHFFFAOYSA-N 394.383 3.872 0 40 GHAB Cc1nnc2n1C[C@@H](C(=O)N1CCCC[C@@H]1c1nc3ccccc3s1)CC2 89740845 YFYKMUYBBMMLMA-GOEBONIOSA-N 381.505 3.512 0 40 GHAB COc1ccc(OCCc2nnc(NC(=S)Nc3ccccc3)s2)cc1 95116484 KFGASAIOZAHCEA-UHFFFAOYSA-N 386.502 3.977 0 40 GHAB C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)NC1CCOCC1 95365124 VRAZPNKCTSIDTR-INIZCTEOSA-N 378.476 3.907 0 40 GHAB Cn1nnc2cc(C(=O)Nc3ncccc3OCc3cccc(Cl)c3)ccc21 95963011 NWTLAZBEBALXAM-UHFFFAOYSA-N 393.834 3.848 0 40 GHAB COCCCNC(=O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96037797 BFEJGJRCCZSAIL-UHFFFAOYSA-N 377.400 3.916 0 40 GHAB CC(C)(C)NC[C@H]1CO[C@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 96075483 OJASWGSLGMGZJF-GAJHUEQPSA-N 381.520 3.634 0 40 GHAB CO[C@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccsc1 96097454 XXNOYGPYEUWBSP-CQSZACIVSA-N 379.425 3.574 0 40 GHAB CO[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc2)C1 96122488 KKPKFUBZPRHSOW-JOCHJYFZSA-N 390.487 3.799 0 40 GHAB Cc1cc(C(=O)N2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)c(C)o1 96269023 XPXQHNUIXKODES-MRXNPFEDSA-N 383.366 3.835 0 40 GHAB biogenic,in-vitro COc1ccccc1[C@@H](CNC(=O)CCc1ccccc1Br)OC 96384817 DCPBGHNYZMEOQD-GOSISDBHSA-N 392.293 3.894 0 40 GHAB CC(=O)N(CC12CC3CC(CC(C3)C1)C2)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100113931 VKZMZOXIVBIYIZ-LZGZYFLISA-N 398.478 3.523 0 40 GHAB COC(=O)c1cccc(NC(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2cccs2)c1 100423759 JMPBLADSRAXLPG-QZTJIDSGSA-N 399.516 3.852 0 40 GHAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCOc1ccc(Cl)cc1 124518873 PJVQSZYINZNAAW-UHFFFAOYSA-N 380.831 3.649 0 40 GHAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)O[C@@H](C)C(=O)c1ccc(C)cc1)(C3)C2 195530721 MYRKKIZSNCQSRB-AMLAXIGRSA-N 383.488 3.585 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)CCc3ccccc3Cl)n2)c1 220021217 VSGSVJDUGCZYDU-UHFFFAOYSA-N 385.851 3.990 0 40 GHAB CC[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccccc1)S(C)(=O)=O 222789155 JEZOFYPNFAUVLM-NRFANRHFSA-N 396.512 3.701 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 222967548 CYHAWAZIVHLGBJ-FQEVSTJZSA-N 384.545 3.782 0 40 GHAB CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCCOC(C)C 223048495 QKVBKSJXBQNFHA-QHCPKHFHSA-N 396.531 3.578 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC)c3ccccc3C)ccc21 223522286 NBSVTGSCQJAEIU-IBGZPJMESA-N 386.517 3.724 0 40 GHAB Cc1c(Cl)cccc1N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O 223680522 HKHXGRCJBBCRKY-UHFFFAOYSA-N 388.961 3.745 0 40 GHAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 223724822 INTRJMCULODVJT-UHFFFAOYSA-N 384.295 3.669 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1 225012548 GSIMVTFTNZQOMI-RTBURBONSA-N 382.504 3.706 0 40 GHAB Cc1ccc(O[C@H](Cc2ccc(I)cc2)C(=O)O)cc1C 225068949 TZALCTLTCZCLDH-MRXNPFEDSA-N 396.224 3.983 0 40 GHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCc2ccc(F)cc2)cc1 225129126 OHSAQPHIAGORCJ-QNGOZBTKSA-N 392.430 3.857 0 40 GHAB Cc1nc2cc([C@@H]3CCCN3C(C)C)nn2c(C)c1CCC(=O)NC1CCCC1 257280305 OKIQTRPSKWQHTE-NRFANRHFSA-N 397.567 3.883 0 40 GHAB CC(C)n1cnnc1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1 550746951 YUHBZHXJKYDAHK-UHFFFAOYSA-N 377.876 3.549 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)cc2)cc1 575610922 QYILAUBCQOBZSW-LJQANCHMSA-N 381.453 3.665 0 40 GHAB Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 582216574 RKTWBKLIAGEDFL-YMTOWFKASA-N 394.909 3.975 0 40 GHAB CCN(C)c1ccc(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cn1 583621733 DMIJVEQDQZGWDU-GOSISDBHSA-N 385.512 3.542 0 40 GHAB CC(C)(C)C(=O)N1CCO[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585262775 DXWSEQUMKYNCIR-GOSISDBHSA-N 398.894 3.996 0 40 GHAB CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(C(F)(F)F)cnc1O 635583089 QHGIYNATAHLVND-XPTSAGLGSA-N 388.773 3.965 0 40 GHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc(C(F)(F)F)ccn1 1568829961 JORDHPCFBHXXOL-UHFFFAOYSA-N 395.772 3.511 0 40 GHAB Cc1ccc(C)c(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615124103 UYDYTSLTVVRCFW-HSZRJFAPSA-N 382.479 3.841 0 40 GHAB CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)C2(CCOCC2)CC1 1615588528 CPZOWASLZOCTKJ-UHFFFAOYSA-N 392.543 3.922 0 40 GHAB O=C(NCc1ccccc1)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1776009207 VVJZLXCGUBQXEC-HOTGVXAUSA-N 389.297 3.723 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 1888906287 OFUIHRCKUIHBJG-UHFFFAOYSA-N 395.894 3.604 0 40 GHAB CNC(=O)c1cn(Cc2cc(F)cc(F)c2)c2cc(C(C)(C)C)ccc2c1=O 1889139436 BQFGPDYLAWLHIV-UHFFFAOYSA-N 384.426 3.985 0 40 GHAB O=C(Cn1nnc(-c2cccs2)n1)N1c2ccccc2CCc2ccccc21 932099 VBHRPOIMDDGBBM-UHFFFAOYSA-N 387.468 3.865 0 40 GHAB Ic1ccc(CSc2nnn(-c3ccccc3)n2)cc1 1032270 JUVZEEBNWWHJIQ-UHFFFAOYSA-N 394.241 3.559 0 40 GHAB Cc1cccc(-n2c(=O)c3c4c(sc3n3cnnc23)CO[C@H](C(C)C)C4)c1 1243748 GKTKDXXVXGGXHS-HNNXBMFYSA-N 380.473 3.501 0 40 GHAB O=C(Nc1ccccc1I)c1cc2ccccc2oc1=O 2288758 UZEZLLQPZNOLJP-UHFFFAOYSA-N 391.164 3.650 0 40 GHAB O=C(NCc1cccnc1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 2503079 XEOADSDYUFWSFV-UHFFFAOYSA-N 383.407 3.956 0 40 GHAB C[C@@H](c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)n1cc(Cl)cn1 2731577 RFLNXDZXQUGFND-LBPRGKRZSA-N 385.884 3.986 0 40 GHAB Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 3345587 QNNKILNEUWZAFN-MAUKXSAKSA-N 393.516 3.645 0 40 GHAB COc1cccc(C(NC(=O)c2ccccc2F)NC(=O)c2ccccc2F)c1 4185769 KPNMAWCUMPIIHZ-UHFFFAOYSA-N 396.393 3.832 0 40 GHAB CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(Cl)cc1)cn2CC 4193302 NOUCKMVFFNJDNG-UHFFFAOYSA-N 391.876 3.906 0 40 GHAB CSc1ccccc1NC(=O)CSc1nc2scc(C)c2c(=O)[nH]1 4736608 WCNMQZPQOVFPDZ-UHFFFAOYSA-N 377.516 3.746 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976061 OBXBVGCVXLTTJW-CQSZACIVSA-N 390.842 3.517 0 40 GHAB COc1ccccc1C(=O)N(c1ccc(C(C)C)cc1)[C@@H]1C=CS(=O)(=O)C1 5081616 SASJONXWQAPZRJ-GOSISDBHSA-N 385.485 3.776 0 40 GHAB COc1ccccc1[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1cc(C)on1 5242132 GZWCXOQOUGJEFA-IBGZPJMESA-N 388.379 3.848 0 40 GHAB Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c(C)s1 5768395 LHDDMSMFERYWIZ-UHFFFAOYSA-N 385.485 3.998 0 40 GHAB Cc1ccc(OCCNC(=O)COc2ccc(Br)c(C)c2)cc1 5814524 GDDSKYCZGPVKJY-UHFFFAOYSA-N 378.266 3.640 0 40 GHAB CCc1ccc(NC(=S)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 6319609 YWFMENHBLFBOPA-UHFFFAOYSA-N 377.535 3.617 0 40 GHAB O=C(CSc1ccccc1Cl)NCC(=O)Nc1ccc(F)c(F)c1F 6640478 BZKGMZROZSMKKU-UHFFFAOYSA-N 388.798 3.604 0 40 GHAB COc1ccccc1-c1nnc(S[C@H](C(=O)NC2CC2)c2ccccc2)n1C 7151479 FZJHJOTXEJBMOR-SFHVURJKSA-N 394.500 3.603 0 40 GHAB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)N3c4ccccc4C[C@H]3C)c(=O)c12 7424009 MZHSJEDWMVRRSH-CQSZACIVSA-N 384.439 3.614 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(N2CCCC2=O)c1 7491959 SSVKSOXYHCEUFH-OAQYLSRUSA-N 389.455 3.716 0 40 GHAB CC(C)c1ccc(Cn2c(CCNC(=O)CCCO)nc3ccccc32)cc1 7547076 QKVOBGTVJLKCNK-UHFFFAOYSA-N 379.504 3.639 0 40 GHAB Cc1cccc(OCCSc2nnc(COc3ccc(C)cc3C)n2N)c1 7934470 SPWJJNBHZCUVBD-UHFFFAOYSA-N 384.505 3.667 0 40 GHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 7940005 CUZFOEYGOPJKON-UHFFFAOYSA-N 394.349 3.600 0 40 GHAB COC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@H]1c1cccs1 7990948 NTISQXNYQFAVSE-ZDUSSCGKSA-N 391.518 3.584 0 40 GHAB COc1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 8041469 QBKMTGVNHHMVNC-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB O=C(CSc1nnc2ccccn12)N[C@H](c1ccccc1)c1cccs1 8156914 AYUNILMVLKGRFH-GOSISDBHSA-N 380.498 3.789 0 40 GHAB CCOc1ccc(Br)cc1C(=O)Nc1cccc(OCC(=O)O)c1 8189217 VQZKNPQDDSJYLC-UHFFFAOYSA-N 394.221 3.564 0 40 GHAB COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCC(=O)O 8371749 ZNUNDDFDKWIVLS-DJKKODMXSA-N 378.222 3.980 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1C(C)(C)C 8714940 ODJIURXLXWOVNW-UHFFFAOYSA-N 377.462 3.882 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)c1C 9237924 LHAUHUSHFHQVPK-ZWKOTPCHSA-N 379.489 3.601 0 40 GHAB Cc1ccc(NC(=O)Cc2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1 9252984 HXUALCOVBXAKLS-UHFFFAOYSA-N 394.500 3.864 0 40 GHAB CN(Cc1ccccc1F)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 9883827 USSFGMUGMQUPQC-UHFFFAOYSA-N 376.431 3.881 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCCNC(=O)c1ccsc1 10540970 CLWQBTCEYGYJLB-UHFFFAOYSA-N 382.489 3.699 0 40 GHAB COc1ccccc1CCNC(=O)CS[C@@H]1CCc2ccccc2N=C1O 11865945 YXDURHNDQVXSDI-LJQANCHMSA-N 384.501 3.690 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)N1CCCC1 12105372 MSFUFTNQBACTGY-UHFFFAOYSA-N 378.501 3.573 0 40 GHAB COc1ccc(C2(C(=O)N[C@@H](c3ccc(F)c(F)c3)c3nccn3C)CC2)cc1 12115013 RLGPMZIVRRFMFK-IBGZPJMESA-N 397.425 3.644 0 40 GHAB COc1ccccc1CN1CCC[C@@H]([C@@H]2CN(C(C)=O)Cc3ccccc3O2)C1 12235564 VQOWNOUTBHBUHD-YKSBVNFPSA-N 394.515 3.717 0 40 GHAB CC[C@H](C)C(=O)N1CCC[C@@](Cc2cc(-c3ccccc3C)no2)(C(=O)O)C1 12241820 QZTHDKFBPAAOJM-NYHFZMIOSA-N 384.476 3.932 0 40 GHAB CNc1ncccc1CN1CCC[C@H](c2cc(O)nc(-c3cccs3)n2)C1 12326629 VHNUXGQUTJGPOA-AWEZNQCLSA-N 381.505 3.727 0 40 GHAB CC(C)CC[C@@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12516756 VMAWRYVIAIUUTP-OAHLLOKOSA-N 391.537 3.722 0 40 GHAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(Br)cc1F 12543443 YUJVLAHMYDFEKL-UHFFFAOYSA-N 379.229 3.677 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 12768815 OWMPMAFYNXWCHK-RTBURBONSA-N 379.504 3.981 0 40 GHAB O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cc2c(s1)CCC2 12794088 WNVVDQNDIZRDES-UHFFFAOYSA-N 396.468 3.708 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)/C=C/c1cnn(-c2ccccc2)c1 12802775 YNEWZTDCUTUHCS-OUKQBFOZSA-N 383.455 3.730 0 40 GHAB C[C@H](NC(=O)Cn1cccc(C(F)(F)F)c1=O)C12CC3CC(CC(C3)C1)C2 12852541 LUJSOWRLHCURPV-UHSVVUDUSA-N 382.426 3.588 0 40 GHAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc2sc(C(N)=O)cc2c1 13584299 UZBBANMUUNOFQC-UHFFFAOYSA-N 394.905 3.620 0 40 GHAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc21 13610222 HADJIKIKNLOLIW-UHFFFAOYSA-N 398.406 3.670 0 40 GHAB CCCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1CCOC 13735569 SEJLHPFMFWGPLH-UHFFFAOYSA-N 392.521 3.631 0 40 GHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@H](C)Oc1ccccc1 13850155 VLGBJWMMFWLQLA-HNNXBMFYSA-N 388.537 3.979 0 40 GHAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 14906586 PLAYKHDVGSMFIW-UHFFFAOYSA-N 387.486 3.813 0 40 GHAB Cn1c(SCc2nc(-c3ccccc3Cl)no2)nc2ccsc2c1=O 16843531 RHCWYEVAELGJQM-UHFFFAOYSA-N 390.877 3.991 0 40 GHAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)OCCO2 18109617 LOVFECRUJQONFF-AWEZNQCLSA-N 392.411 3.794 0 40 GHAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C3CC3)C1)N2 19083932 BJJNAWGSKAOXRD-SOUVJXGZSA-N 380.483 3.820 0 40 GHAB CC(=O)N1CCc2nc(C3CCN(CC[C@@H](C)c4ccccc4)CC3)ncc2C1 19455638 BEEFFXZQARXIPR-GOSISDBHSA-N 392.547 3.754 0 40 GHAB CCCC(=O)N1CCC[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NCC)C1 19501214 PMSOVHHOECVDDQ-DEOSSOPVSA-N 393.531 3.836 0 40 GHAB Cc1noc(CCC(=O)N2CCC[C@@H]2c2ccc(Cc3ccccc3)cn2)n1 19688457 HVDLWHLMKXVHHT-HXUWFJFHSA-N 376.460 3.660 0 40 GHAB Cc1nc([C@H]2CCCN(C(=O)C3CCCC3)C2)ncc1C(=O)Nc1ccccc1 19765121 IDAAXFQKSYVVTQ-SFHVURJKSA-N 392.503 3.934 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1C 20010533 NMQHCRZCEXHCRL-UHFFFAOYSA-N 382.279 3.803 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2ccccc2OC)CC1 20483911 LUOHYTGNYOJKDV-HXUWFJFHSA-N 382.504 3.818 0 40 GHAB CN(Cc1ccc2ccccc2c1)C(=O)CN1C(=O)CSc2ccccc21 21926924 PKGWCZCDOAMRMX-UHFFFAOYSA-N 376.481 3.937 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 21933914 CJVCQGCDDIJMDA-CQSZACIVSA-N 393.487 3.973 0 40 GHAB O=C(NCC(=O)N1CCC[C@H]1c1cccs1)c1cccc(Br)c1 22131821 GCGPQNJIMTZELF-AWEZNQCLSA-N 393.306 3.604 0 40 GHAB CC(C)c1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O 22385139 QWLZXMFMUNHJGH-UHFFFAOYSA-N 394.924 3.546 0 40 GHAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccc(C(F)(F)F)cc1 22765734 VJXZPGYAJCCPAE-INIZCTEOSA-N 384.423 3.570 0 40 GHAB COc1ccc2nc(C)c(C(=O)NC3(c4noc(C)n4)CCCCC3)cc2c1 23508585 SAHHZVVPQYUDBS-UHFFFAOYSA-N 380.448 3.833 0 40 GHAB Cc1ccc(Nc2nc(COC(=O)c3ccc(C(N)=O)cc3)cs2)cc1C 24835822 BVJMVPHSJMAARU-UHFFFAOYSA-N 381.457 3.959 0 40 GHAB O=C(Nc1cccc2ccccc12)c1ccc(=O)n(CCOc2ccccc2)n1 25316217 JPRWUVVOAAZXMD-UHFFFAOYSA-N 385.423 3.728 0 40 GHAB CN(C)[C@H](CNC(=O)/C=C/c1ccccc1Br)c1ccsc1 25812115 AOALIEGSHXAWAP-KXPUMZMLSA-N 379.323 3.943 0 40 GHAB CN(C)[C@H](CNC(=O)/C=C/c1cnn(-c2ccccc2)c1)c1ccccc1Cl 29930092 KHBMENUXVJIRHX-JNCYCUAHSA-N 394.906 3.958 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)c2cccnc2SCC(F)(F)F)cc1 31408843 RJTUAKBYQSBSMA-UHFFFAOYSA-N 397.422 3.755 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 32097522 OCOPBXUANXREAQ-UHFFFAOYSA-N 394.474 3.774 0 40 GHAB O=C(NCc1cccs1)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1 32106189 FLMLMDWDPKACAL-UHFFFAOYSA-N 379.416 3.516 0 40 GHAB Cc1nc(COc2cccc(/C=C/C(=O)NCCc3ccccn3)c2)cs1 32657269 GHEHOYYCQVDPDO-CMDGGOBGSA-N 379.485 3.798 0 40 GHAB CSc1ccccc1NC(=O)CCN1CCC(NC(=O)c2ccccc2)CC1 32870941 MCJCJOFPTUBKRA-UHFFFAOYSA-N 397.544 3.632 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(c3cccc(Cl)c3)CC2)c1C 36385857 BPGDYPZNNOOTOH-OAHLLOKOSA-N 387.911 3.881 0 40 GHAB CCN(CCNC(=O)CSCC(=O)Nc1cccc(C)c1)c1cccc(C)c1 36622052 NOFDPXKWIOZYGN-UHFFFAOYSA-N 399.560 3.618 0 40 GHAB COc1cccc([C@@H](CNC(=O)c2ccc(Br)cc2F)N(C)C)c1 40012808 FAUNRZDWHMUSEW-QGZVFWFLSA-N 395.272 3.630 0 40 GHAB O=C(NCCSCc1ccccc1F)c1ccc2c(O)[nH]c(=S)nc2c1 40108633 MPHDFUKTWGJOJV-UHFFFAOYSA-N 389.477 3.800 0 40 GHAB COCc1cccc(CNC(=O)c2cccnc2SCc2cc(C)on2)c1 40114008 SQLHRTBDCWRJGI-UHFFFAOYSA-N 383.473 3.747 0 40 GHAB COc1cc(C)c([C@@H](C)NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1OC 40134346 OTFNJUUXUCPZHX-ZUOKHONESA-N 386.423 3.522 0 40 GHAB COc1ccc(Cl)cc1CC(=O)Nc1ccc(Cn2ccccc2=O)cc1 40134828 DWXOVLNAVDMULE-UHFFFAOYSA-N 382.847 3.740 0 40 GHAB C[C@H]1CN(C(=O)Nc2cc(Br)ccc2Br)C[C@H](C)O1 44078737 FFCFTQMSPDBNPQ-IUCAKERBSA-N 392.091 3.853 0 40 GHAB Cc1c([C@@H](C)NC(=O)Cc2noc3ccccc23)cnn1-c1ccc(F)cc1 45518446 RTWQEJFZBIESEW-CYBMUJFWSA-N 378.407 3.881 0 40 GHAB COc1ccc(Cl)cc1-n1nnc(C(=O)NCc2cccc(Cl)c2)c1C 51317578 XRIPPXPIKDZRIN-UHFFFAOYSA-N 391.258 3.821 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)C1 57379126 CEDGRCNVFAYBKW-GASCZTMLSA-N 390.480 3.745 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccc(OCC2CC2)nc1 58185916 YTRZNBLKMGTDOU-UHFFFAOYSA-N 377.444 3.774 0 40 GHAB Cc1ccccc1NC1CCN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)CC1 58430587 NMOSVYAXVVTVBO-OAQYLSRUSA-N 381.451 3.730 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2c(Cl)ccc3nsnc23)cc1 59294563 XUDPUJODEUSCOZ-UHFFFAOYSA-N 392.893 3.870 0 40 GHAB O=C(NCCc1c[nH]c2cc(F)ccc12)[C@H]1CC(c2ccc(Cl)s2)=NO1 65160542 KVJLRPJAIVLKGK-OAHLLOKOSA-N 391.855 3.874 0 40 GHAB CN(Cc1cnn(-c2cccc(Cl)c2)c1)C(=O)[C@H]1COc2ccccc2C1 65552108 DMTTVJKLSDAUEZ-QGZVFWFLSA-N 381.863 3.735 0 40 GHAB O=C(Nc1cccc(N2CCOC2=O)c1)N1CCC(Nc2ccc(F)cc2)CC1 65626922 YELNXSFIIUAFOK-UHFFFAOYSA-N 398.438 3.891 0 40 GHAB COc1ccccc1-c1nc(CN2CCC(N3CCO[C@H](C)C3)CC2)cs1 66561694 XMBZXUSOMJQZJO-MRXNPFEDSA-N 387.549 3.504 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)N(C)C2CCCCC2)nc2cc(C)[nH]c2c1=O 67238922 AFDMKLDPJNZLIE-CQSZACIVSA-N 390.553 3.887 0 40 GHAB O=C(NCC1CCN(c2nc3ccccc3o2)CC1)c1cc(-c2ccco2)on1 70932166 WSZHAFFJZRSJFQ-UHFFFAOYSA-N 392.415 3.722 0 40 GHAB CN1CCN(c2cc(NC(=O)c3cccc(Cl)c3)c(Cl)cc2N)CC1 72229290 PDCWQGVSJDRCJG-UHFFFAOYSA-N 379.291 3.580 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccccc3C)C2)cn1 72362499 QUJPVPMPHBFOFS-QGZVFWFLSA-N 389.459 3.696 0 40 GHAB O[C@@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3cccnc3)nn21 72396320 NANKWVQVYKXYRA-GOSISDBHSA-N 377.404 3.545 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C 72406463 WVFGYOCMPSYZKV-UHFFFAOYSA-N 398.850 3.960 0 40 GHAB CCCc1nnsc1C(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200220 JVOKYIZUPOIMFC-GJZGRUSLSA-N 388.493 3.780 0 40 GHAB CC(C)n1c(CNC(=O)CCCc2nc(C(C)(C)C)no2)nc2ccccc21 78821382 FJLRLKGBDRTUEU-UHFFFAOYSA-N 383.496 3.937 0 40 GHAB Cc1cc(NC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)ccc1N(C)C 79105257 GEQHAUSBUNDRGI-NRFANRHFSA-N 390.528 3.876 0 40 GHAB O=C(C[C@H]1CC(=O)Oc2ccccc21)NCCc1c[nH]c2ccc(Cl)cc12 79192059 CFZOJBLYJJZQPI-AWEZNQCLSA-N 382.847 3.963 0 40 GHAB biogenic COCCn1cc(CCC(=O)Nc2ccc3c(c2)ncn3C)c2ccccc21 79486186 CGBJRVKSSHHLAQ-UHFFFAOYSA-N 376.460 3.746 0 40 GHAB COC(=O)c1cccc(C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)c1 83897356 SPOCPQFOCCFTFT-UHFFFAOYSA-N 379.290 3.990 0 40 GHAB CN(C)c1c(F)cc(NC(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)cc1F 89322824 NEWYHGNMEOTSSX-GFCCVEGCSA-N 385.823 3.877 0 40 GHAB CCOC(=O)c1cnn2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc12 90607211 YZBGEAYCQLXMPR-UHFFFAOYSA-N 393.321 3.662 0 40 GHAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCc1nnc2ccccn12 95475184 DJPDXXUGCABHAX-QGZVFWFLSA-N 393.878 3.675 0 40 GHAB CSc1cc(C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)c(Cl)cc1Cl 95944179 GLPXJGBQXHLVNT-MRXNPFEDSA-N 394.320 3.538 0 40 GHAB CCOc1ccccc1S(=O)(=O)NCc1cccc(Oc2ccccn2)c1 96382769 LDXVCRZPOXZBSA-UHFFFAOYSA-N 384.457 3.751 0 40 GHAB Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 100125545 YOGQEDNAPLBIMD-HUUCEWRRSA-N 392.377 3.869 0 40 GHAB Cn1ccnc1C1(O)[C@@H]2CCC[C@@H]1CN(Cc1cccc(Cl)c1Cl)C2 100149923 CEBYZSKJADWSBO-HUUCEWRRSA-N 380.319 3.847 0 40 GHAB Cc1ccc(C(=O)Oc2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100744036 MAPJGBSSDCJHBD-FVCZOJIISA-N 375.424 3.750 0 40 GHAB Cc1cc2ncc(CCCNC(=O)Cc3ccc(SC(C)C)cc3)cn2n1 207994731 FDSLOMNHTXSAFN-UHFFFAOYSA-N 382.533 3.830 0 40 GHAB O=C(O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 214383697 CNJFHXWOUNORMX-CXUHLZMHSA-N 387.388 3.526 0 40 GHAB CCOC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1C 218816824 GFXAFNWIUOYUTA-UHFFFAOYSA-N 392.249 3.952 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)N1CCS[C@@H](c2ccccc2F)CC1 219145297 YYBLINGVSZSDDZ-LJQANCHMSA-N 388.464 3.944 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1F 222394038 MCMPHRWUSIZRIZ-MRXNPFEDSA-N 388.508 3.531 0 40 GHAB CSc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1NC(C)=O 223177993 SCCMZXSOMPPOHS-AWEZNQCLSA-N 392.546 3.667 0 40 GHAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCC(C)C 223192377 MGZLNPXRHRYUCI-QFIPXVFZSA-N 384.495 3.948 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccc(CC)cc3)ccc21 223937444 LMNWZGSKOVNLHI-HNNXBMFYSA-N 386.517 3.588 0 40 GHAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C 224553493 DVELTNDMLSDSGP-UHFFFAOYSA-N 384.495 3.850 0 40 GHAB CCOc1cccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 225445122 BFHJUHPFNMZQQO-QNGOZBTKSA-N 390.439 3.766 0 40 GHAB CC(=O)Nc1ccc(OS(=O)(=O)c2cc(C(=O)O)ccc2C)c2ccccc12 226857406 PJPNERXAYQGEJG-UHFFFAOYSA-N 399.424 3.573 0 40 GHAB C[C@@H]1C[C@H]1C(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)CC1 257223672 DYKCBWRZISJALL-OXQOHEQNSA-N 394.490 3.785 0 40 GHAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccccn4)o3)CC2)on1 257335911 YMKDITRCXGPEIC-SHTZXODSSA-N 395.463 3.947 0 40 GHAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)Nc2ccc(C)cc2)c2ccccc12 408565078 BDFHWWOVWVJGBQ-UHFFFAOYSA-N 391.471 3.640 0 40 GHAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1OC(F)F 409355682 DPOOFOZFZRCKOU-GDNBJRDFSA-N 388.370 3.780 0 40 GHAB CSc1ccccc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 409411185 FJSZKEGHFALDGX-HNNXBMFYSA-N 392.546 3.819 0 40 GHAB Cc1ccc2sc(CN3C[C@@H](C[C@@H]4COCC(=O)N4)c4ccccc43)nc2c1 528507041 VQSGOUZLYPAPPJ-HZPDHXFCSA-N 393.512 3.614 0 40 GHAB CC(C)Cc1ccccc1CNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 528916375 QQPRCAKMJDQDER-UHFFFAOYSA-N 395.503 3.679 0 40 GHAB C[C@@H](NC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1)c1ccnc(O)c1 655112316 FHFVLWMGTJWPPW-GFCCVEGCSA-N 380.366 3.985 0 40 GHAB O=C(NCc1cc2c(s1)CCCC2)NCC1CCN(Cc2ccncc2)CC1 661666583 CNRMYSOPOSHURC-UHFFFAOYSA-N 398.576 3.733 0 40 GHAB CCN(C)C(=O)c1cccc(NC(=O)NCC(F)(F)c2cccc(F)c2)c1 667094443 ZHNLHDZNEMERFW-UHFFFAOYSA-N 379.382 3.831 0 40 GHAB C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc3ncnc(O)c23)cc1 1596786105 SYJKVQAWORHYSA-AWEZNQCLSA-N 390.443 3.602 0 40 GHAB Cn1ncc(Cl)c1C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615156891 KGXJEOPRLQTIBA-IRXDYDNUSA-N 390.890 3.875 0 40 GHAB Cc1cc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c(C)o1 3256789 MBDUWZGTJGLAGH-UHFFFAOYSA-N 376.718 3.759 0 40 GHAB CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1C)C(C(=O)OC)=C(C)N2 4292264 HMYAEQJCWIGVAO-MRXNPFEDSA-N 399.516 3.975 0 40 GHAB COc1ccc(NC(=S)NCC2CCN(Cc3cccs3)CC2)cc1 4710325 CQBAUXCTLVWCDN-UHFFFAOYSA-N 375.563 3.955 0 40 GHAB CCN1CCN(c2nc(C)nc3c2sc(=S)n3Cc2ccccc2)CC1 4717525 KQAAKYZOHRGLDQ-UHFFFAOYSA-N 385.562 3.721 0 40 GHAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCc1cccc(C)c1 4853543 GQNPAEHRPAQTAP-UHFFFAOYSA-N 378.428 3.605 0 40 GHAB Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N(C)C 5019869 JDRMDDMESJYOTQ-UHFFFAOYSA-N 386.395 3.516 0 40 GHAB CN(C)CCN(C(=O)COc1ccccc1)c1nc2c(Cl)cccc2s1 5121432 SAJLRWVQWPTVKI-UHFFFAOYSA-N 389.908 3.923 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c1 5269466 FSFJHODYJNOFTE-UHFFFAOYSA-N 395.846 3.761 0 40 GHAB COc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1N1CCCC1=O 5329635 SRRLYFXRWRFNDX-UHFFFAOYSA-N 388.489 3.548 0 40 GHAB CS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21 5375565 ACGGDIQEUSWOLM-UHFFFAOYSA-N 398.406 3.670 0 40 GHAB CCOc1ccc(Cc2nnc3n2N=C(c2ccc(OC)cc2)CS3)cc1 5475571 TYIZWPLDTOZPLY-UHFFFAOYSA-N 380.473 3.634 0 40 GHAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)oc2ccccc12 5636317 DPTYAIPHEKDZSE-UHFFFAOYSA-N 384.457 3.778 0 40 GHAB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1 6327934 FQMOZVKBQWIUGZ-ATVHPVEESA-N 394.427 3.571 0 40 GHAB C[C@@H](Sc1ncnc2sccc12)C(=O)N1c2ccccc2NC(=O)C1(C)C 7363674 FNZRRNINYPVRSH-LLVKDONJSA-N 398.513 3.936 0 40 GHAB COc1cc2c(cc1OC)CN(Cc1nc(-c3ccc(Cl)cc3)no1)CC2 7677175 DVPDXFMGZSVCTC-UHFFFAOYSA-N 385.851 3.966 0 40 GHAB O=c1[nH]c(CSc2nnc(C3CC3)n2-c2ccccc2)nc2ccsc12 8013801 WQACENSRGSBAOP-UHFFFAOYSA-N 381.486 3.735 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCN(c2ccccc2C)CC1 8041862 MEAZDBNCZJPHMS-HSZRJFAPSA-N 389.499 3.608 0 40 GHAB CN(Cc1ccccc1)C(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 8091295 SOODSCAFJOEXNY-UHFFFAOYSA-N 394.496 3.784 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(Cl)c2)cc1 9237290 VXLSSHPEVGEHKP-DLBZAZTESA-N 399.907 3.946 0 40 GHAB O=C(NCC(=O)N1CCC[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 9895453 IAGIRAWUOFWQDJ-KRWDZBQOSA-N 376.378 3.799 0 40 GHAB O=C(NOCc1ccccc1)c1oc2ccccc2c1CSc1ncn[nH]1 10318619 PXPMPSJXWFKEGY-UHFFFAOYSA-N 380.429 3.705 0 40 GHAB CSc1ncccc1C(=O)O[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 11464873 YGXAEMVMWIJOKE-SNVBAGLBSA-N 382.388 3.589 0 40 GHAB CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1ccc(F)cc1)c1ccccc1O2 12086551 WRCSQDCMBUZNDZ-XXBNENTESA-N 396.462 3.851 0 40 GHAB C[C@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)c1nc(-c2cccnc2)n[nH]1 12114773 CDLSXRSDLLLNBD-AWEZNQCLSA-N 379.439 3.695 0 40 GHAB COc1ccc(C)cc1NC(=O)CSc1nc(N)c2c(C)c(C)sc2n1 12538224 SXUFDPUDZVFXSO-UHFFFAOYSA-N 388.518 3.938 0 40 GHAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)C[C@@H](C)O1 12757039 NVMMXSILJFMFLT-TXEJJXNPSA-N 397.447 3.606 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc2c(c1)Cc1ccccc1-2 12779778 SJUGMDVLSGPMLT-SFTDATJTSA-N 386.451 3.538 0 40 GHAB CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 12785411 ZPAFZBVPYBCDOD-GOSISDBHSA-N 388.414 3.828 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)CC2=O)cc1 12799541 XPYGGZYXZAJSLO-LOXVZWDBSA-N 380.532 3.935 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)N(C)Cc3nn(C)c(Cl)c3Cl)c12 13642189 PWQBPGAYELRDJH-UHFFFAOYSA-N 394.262 3.721 0 40 GHAB O=C(CCn1ccc2ccc(Br)cc21)N=c1[nH]c2ccccc2[nH]1 13721147 RQZUOZJKUMAGBD-UHFFFAOYSA-N 383.249 3.731 0 40 GHAB CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1 14103189 NWXNZSVKSXNOBL-UHFFFAOYSA-N 376.478 3.708 0 40 GHAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)c(N2CCCC2=O)c1 14199495 DUERWGKAXJWUGJ-UHFFFAOYSA-N 397.862 3.611 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CCCCCC1 15303282 RKTMUYSBJQAWLP-UHFFFAOYSA-N 378.538 3.622 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 15328576 ZQXRKJFDDRKNBG-SNVBAGLBSA-N 388.272 3.820 0 40 GHAB COc1ccc(-c2cn3c(CCC(=O)NCc4ccccn4)csc3n2)cc1 16848810 IADSMNVNHKIZMG-UHFFFAOYSA-N 392.484 3.715 0 40 GHAB C[C@@H](NC(=O)COc1ccc(Cl)cc1C(N)=O)c1cccc2ccccc12 19042956 VINYNGBUHWYSRX-CYBMUJFWSA-N 382.847 3.848 0 40 GHAB O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1cccc2nsnc12 19079308 IWJGAIIKQNAXSP-UHFFFAOYSA-N 385.426 3.646 0 40 GHAB COC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc(C(=O)OC)c1 19163928 MMDWREFCCQSURW-CYBMUJFWSA-N 387.457 3.688 0 40 GHAB NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCCC2)C1 19348390 VMGBTBKRJRZODC-XMMPIXPASA-N 394.490 3.929 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)C[C@H](C)n2nnc3ccccc32)c1 19455242 SAGKIWNTEFJREL-HNAYVOBHSA-N 394.475 3.763 0 40 GHAB CCCC(=O)N1CCC[C@](Cc2ccccc2-c2cccnc2)(C(=O)NCC)C1 19501243 NMBQDYCPZFYOKV-XMMPIXPASA-N 393.531 3.836 0 40 GHAB CCCCn1nc(C)c(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1C 19502407 FWNZEELEKXWOME-PGRDOPGGSA-N 394.567 3.952 0 40 GHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)cc1 19796556 DQFDFSUHYRXPAU-LLVKDONJSA-N 395.440 3.790 0 40 GHAB C[C@@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=S)n2Cc2ccccc2)C1 19938895 RZKOPTQUGLYFBG-HNNXBMFYSA-N 378.501 3.900 0 40 GHAB Cn1cccc1[C@@H](CNC(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 21151583 FMBSXUJWHUJQGH-JOCHJYFZSA-N 377.463 3.694 0 40 GHAB COc1cccc(OCC(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)c1 21684393 WFALGJHXOIJZQP-UHFFFAOYSA-N 394.456 3.817 0 40 GHAB COc1ccc(CCNC(=O)c2ccc(COCC(F)(F)F)cc2)cc1OC 22316630 VLWOXWKVXBLPGU-UHFFFAOYSA-N 397.393 3.755 0 40 GHAB Cc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 22328184 XHTLBZUONJKKFZ-SFHVURJKSA-N 388.533 3.564 0 40 GHAB NS(=O)(=O)c1ccc(CNc2nc(-c3ccsc3)nc3ccccc23)cc1 22797815 XAYZAAZFNXFGQQ-UHFFFAOYSA-N 396.497 3.618 0 40 GHAB Cc1nc(CC(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cs1 23223390 SNFHUSBCQVAIAS-GFCCVEGCSA-N 388.489 3.793 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc1 23779078 QYWUMCXNQVMAAE-NRFANRHFSA-N 379.435 3.736 0 40 GHAB CN(C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 23985976 SUKSWZRBNNWHPX-UHFFFAOYSA-N 394.496 3.541 0 40 GHAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(-c2nnco2)c1 24738205 RUSNJNGQAWFCCP-UHFFFAOYSA-N 385.807 3.733 0 40 GHAB Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)nc1 24924447 MVFZRDAOYZXVGO-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB CCc1ccc(Cn2nccc2NC(=O)Cc2cnn(-c3ccccc3)c2)cc1 25043560 DKNYDOCPHLBFRX-UHFFFAOYSA-N 385.471 3.861 0 40 GHAB O=C(NC1CCN(C(=O)CCn2ccc3ccccc32)CC1)c1ccc(F)cc1 25215641 HTGIQBFCXZAMJE-UHFFFAOYSA-N 393.462 3.592 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2cc(Cl)ccc2s1 26278712 ICAHRYYLSMIHHR-UHFFFAOYSA-N 380.878 3.996 0 40 GHAB CNC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1[C@H]1CCCC[C@@H]1C 26472870 SONRTKQEEMOWOJ-ZQIUZPCESA-N 388.537 3.932 0 40 GHAB COc1ccc(CN(Cc2ccc(SC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 27651505 SAYOMSOGCIRLSF-GOSISDBHSA-N 391.558 3.606 0 40 GHAB O=C(CCc1cccs1)N1CCN(Cc2csc(-c3ccco3)n2)CC1 30649690 RNWWKOWNYWWPQT-UHFFFAOYSA-N 387.530 3.742 0 40 GHAB COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 30946431 BWBOTMDLDPCKIO-QGZVFWFLSA-N 386.879 3.977 0 40 GHAB O=C1Nc2ccc(F)cc2[C@@]12CC(O)=Nc1c2cnn1Cc1ccc(Cl)cc1 32073997 ARHUTLIKXYIOKY-HXUWFJFHSA-N 396.809 3.954 0 40 GHAB COc1cc2s/c(=N/C(=S)NC(=O)c3cccs3)[nH]c2cc1Cl 32127634 YHUNDJPZMNGUAK-UHFFFAOYSA-N 383.907 3.569 0 40 GHAB O=C(CNC(=O)c1ccc(Cl)cc1)Nc1cc2c(cc1Cl)OCCCO2 32850888 OHHVBAAGLINHNJ-UHFFFAOYSA-N 395.242 3.523 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nnc2c(n1)[nH]c1ccc(C)cc12 35312197 OXOVCHAFTXBKAT-UHFFFAOYSA-N 393.472 3.944 0 40 GHAB Cc1ccc2nc(C(F)(F)F)n(CC(=O)NC(C)(C)CN3CCCCC3)c2c1 35322687 PCZXJPFOQMRGFO-UHFFFAOYSA-N 396.457 3.744 0 40 GHAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1cc(-c2ccccc2)on1 38709548 COVMFOCBCPZWCD-UHFFFAOYSA-N 375.428 3.759 0 40 GHAB O=C(NCC1CC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 40051427 YUODYALKOJQYRK-UHFFFAOYSA-N 385.458 3.791 0 40 GHAB CCc1ccc(N2C[C@H](c3noc(-c4cc(OC)cc(OC)c4)n3)CC2=O)cc1 44415843 TZBKLRHSMVEINB-MRXNPFEDSA-N 393.443 3.837 0 40 GHAB COc1cc([C@H](C)NC(=O)c2oc3c(c2C)C(=O)CCC3)cc(OC)c1OC 44546735 MTWNYJXVCADXKG-LBPRGKRZSA-N 387.432 3.624 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl 44949503 XPPCKUUHYSARHK-UHFFFAOYSA-N 377.224 3.756 0 40 GHAB Cn1cc(-c2nc(C(=O)Nc3ccc(NC(=O)C(C)(C)C)cc3)cs2)cn1 44958662 JILWHKUEAOPJEO-UHFFFAOYSA-N 383.477 3.781 0 40 GHAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3nc4c(s3)CCC4)C2)c1 47828256 FHKQSSUIBMQLOI-AWEZNQCLSA-N 384.505 3.823 0 40 GHAB C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 48279075 QELFSVHDBDNREL-AWEZNQCLSA-N 395.908 3.780 0 40 GHAB CCCc1nnc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)s1 48513641 PNJXQWKBGAYMGR-UHFFFAOYSA-N 375.479 3.580 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CSc1nccnc1N1CCSCC1 48986561 ZLKHLYQJCIPKNU-UHFFFAOYSA-N 394.953 3.722 0 40 GHAB Cc1c(-c2noc(-c3cccc(N(C)C)c3)n2)nnn1Cc1cccc(F)c1 49410250 YPULCHZMFWZRFR-UHFFFAOYSA-N 378.411 3.557 0 40 GHAB COc1ccccc1-c1nc(NC(=O)c2sccc2Br)n[nH]1 52779177 KNQRSADBYVRYRN-UHFFFAOYSA-N 379.239 3.557 0 40 GHAB Cc1nn(C(F)F)c(C)c1CC(=O)OCc1csc(-c2ccccn2)n1 65688303 DKRVAVBYWXZYAE-UHFFFAOYSA-N 378.404 3.699 0 40 GHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2C[C@H]2C)CC1 72345097 ALVKCYGSORGNPE-GCJKJVERSA-N 390.527 3.907 0 40 GHAB CN1CCN(CCCCNc2nc(-c3ccccc3)nc3ccccc23)CC1 75669942 QQFRJHXMNMFUSG-UHFFFAOYSA-N 375.520 3.736 0 40 GHAB O=C(Nc1cccc2cccnc12)N1CCC(NCCOc2ccccc2)CC1 84556855 QJJYYASQAWETLN-UHFFFAOYSA-N 390.487 3.900 0 40 GHAB O=C(O)C[C@@H](NCc1cnn(Cc2ccccc2Cl)c1)c1ccsc1 95997738 DRWXDKMEOBSTTG-QGZVFWFLSA-N 375.881 3.952 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21 96241944 NCFFTYNWMKIYNN-KRWDZBQOSA-N 380.488 3.856 0 40 GHAB CC(C)Oc1ncc(C(=O)N2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)cc1Cl 97159119 IVOPCQWJFOIQFW-SWLSCSKDSA-N 387.867 3.530 0 40 GHAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)NCc1ccccc1)c1cccc(F)c1 100426094 ZSOJELWQXUFZRU-SFTDATJTSA-N 395.478 3.851 0 40 GHAB CC1(C)C[C@@H]2C[C@](C)(CN2S(=O)(=O)c2cccc(NC(=O)C3CC3)c2)C1 100637598 UIIAODUJUMDQCH-UZLBHIALSA-N 376.522 3.624 0 40 GHAB Cc1ccccc1C(=O)Oc1cccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)c1 102617876 ICENQYHYSLHPCM-CDHQVMDDSA-N 375.424 3.916 0 40 GHAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccccc1 103053039 UMXFMCYNCAKJIF-NHCUHLMSSA-N 383.451 3.991 0 40 GHAB Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1C 165725596 OCTWCNDIWCNAII-SNHGZMDHSA-N 386.451 3.867 0 40 GHAB CCCOc1ccc(-n2nc3cc(OC)c(N)c(Br)c3n2)cc1 216870424 GQYOPHDTISADLF-UHFFFAOYSA-N 377.242 3.563 0 40 GHAB COc1ccccc1CC(=O)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219221300 NHLYIGSVFZMAAE-FQEVSTJZSA-N 385.485 3.673 0 40 GHAB O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCS[C@H](c2ccco2)CC1 219402130 AUTQWENXLRDFCX-IBGZPJMESA-N 397.456 3.719 0 40 GHAB CC[C@@H](C(=O)Nc1cc(Cl)ccc1C)N(c1ccccc1F)S(C)(=O)=O 220590798 UEOUHRDQKFBDKN-INIZCTEOSA-N 398.887 3.971 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 222992818 UTUJXDQHEVFMGA-KRWDZBQOSA-N 386.467 3.538 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1C1CC1 223216705 YXRSYWQDIPPBOI-NHCUHLMSSA-N 397.592 3.759 0 40 GHAB Cc1cccc(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)c1 223411956 HIHVYRXLLKBXGH-SFHVURJKSA-N 388.533 3.564 0 40 GHAB COCc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 223933260 KWYGPOXMEJAXAG-UHFFFAOYSA-N 396.468 3.886 0 40 GHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(c2ccccc2F)CC1 224882062 VOKSFNMUYGKDAN-QGZVFWFLSA-N 382.479 3.821 0 40 GHAB COc1ccc(NC(=S)NCc2ccccc2-n2ccnc2C)cc1OC 225449396 QJZCGRPMQWACSY-UHFFFAOYSA-N 382.489 3.685 0 40 GHAB Cc1cc(NC(=O)c2ccc(Br)cc2)cc2sc(NN)nc12 226310332 YBZPFXZKYFMHJA-UHFFFAOYSA-N 377.267 3.905 0 40 GHAB Cc1cc(OCC(=O)Nc2cc(C)c3nc(NN)sc3c2)ccc1Cl 226313379 HHAZZQJBBIGRPW-UHFFFAOYSA-N 376.869 3.870 0 40 GHAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccccn4)o3)CC2)[nH]n1 257284781 PEGQDONXHUQXAR-SHTZXODSSA-N 394.479 3.682 0 40 GHAB Cc1cccc(CN2CCN(C)[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 306133049 MAFMOSHWAUXMMW-QHCPKHFHSA-N 398.514 3.588 0 40 GHAB O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1CCOc1ccc(F)cc1 409054333 UYYWTTUUJOBAFO-YVLHZVERSA-N 387.388 3.670 0 40 GHAB Cc1oc(C(C)C)cc1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 506617380 ITNYVVZFFUVZLL-UHFFFAOYSA-N 383.492 3.661 0 40 GHAB CN1CCN([C@H](c2ccccc2)c2nc(C(C)(C)Cc3ccccc3)no2)CC1 561391446 CVUGBHSKGSZAPJ-OAQYLSRUSA-N 390.531 3.927 0 40 GHAB CC(C)C(=O)Nc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)cc1 571019626 NRLWYLFQAYWBBH-MOPGFXCFSA-N 382.464 3.718 0 40 GHAB CN(C(=O)C[C@@H]1CCCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1Cl 573807659 FGYNJWQODAGJDJ-JTQLQIEISA-N 383.819 3.537 0 40 GHAB O=C(CSc1c[nH]c2ccccc12)N1CC[C@H](Oc2ccncc2Cl)C1 575611085 TVPQGAIRIDIGGI-ZDUSSCGKSA-N 387.892 3.988 0 40 GHAB Cn1cc([C@@H]2CN(C(=O)c3cccc(Br)c3)Cc3ccccc32)cn1 585406397 CCAOLTDVLWQKCV-IBGZPJMESA-N 396.288 3.971 0 40 GHAB Cn1ncc(S(=O)(=O)NC(C)(C)c2ccc3ccccc3c2)c1C(F)(F)F 1665329759 PRMDEUCCJKTBHC-UHFFFAOYSA-N 397.422 3.806 0 40 GHAB CC(=O)N1CCN(Cc2scnc2C)C[C@@H](Cc2cccc3ncccc23)C1 2037838340 FBLYKKADIRLCSM-GOSISDBHSA-N 394.544 3.523 0 40 GHAB NC(=O)c1ccc(NC(=O)c2ccccc2COc2ccc(F)cc2F)cc1 2788187 GKOKJFMAPYFGMT-UHFFFAOYSA-N 382.366 3.895 0 40 GHAB COc1cccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@@]2(O)C(F)(F)F)c1 910727 SNJGINSVSRBCCD-GOSISDBHSA-N 378.350 3.505 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2N)cc1 3272482 XVEXFVVJAAFKGL-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB CC(C)C[C@H](C(=O)NCc1ccccc1Cl)N1C(=O)c2ccccc2C1=O 3341600 BZIBGFZISWVMMY-GOSISDBHSA-N 384.863 3.667 0 40 GHAB O=C(COC(=O)c1cc2c(nc3sccn32)s1)NC1CCCCCC1 53674885 ANWGCLUCVMPRDE-UHFFFAOYSA-N 377.491 3.606 0 40 GHAB COc1ccc(CCNC(=O)c2ccccc2OCc2c(C)noc2C)cc1 22689340 GAORVCXGMQNDEO-UHFFFAOYSA-N 380.444 3.852 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 6235729 GXTGIHDCTMQEGY-LBPRGKRZSA-N 392.249 3.950 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1 6325276 SCCLUWQPIDFAGI-OAHLLOKOSA-N 392.546 3.836 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccccc2F)c1 6681126 CYAQDDBEMSRNRT-UHFFFAOYSA-N 390.461 3.965 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@@H]1c1cccnc1 955236 LRHZHZHYOCJKQS-QGZVFWFLSA-N 395.850 3.846 0 40 GHAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc(=O)c2ccccc2o1 12525657 AOJWDPCVUSIOTF-UHFFFAOYSA-N 383.354 3.810 0 40 GHAB CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 10285335 LYSJGHVTQZDNAQ-UHFFFAOYSA-N 398.459 3.684 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@@H]1c1ccccc1F 59227863 KSRMEEVLZOMIBX-QGZVFWFLSA-N 384.798 3.670 0 40 GHAB Cc1cc(C)nc(SCc2cc(=O)n3nc(C)c(-c4ccc(F)cc4)c3[nH]2)n1 10338954 JIXYANUCKMVREF-UHFFFAOYSA-N 395.463 3.836 0 40 GHAB CC(=O)Nc1cccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 8279582 QEJNYWDSRMPQOU-UHFFFAOYSA-N 376.460 3.720 0 40 GHAB CCc1ccc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)cc1 8433726 QIFVPTNKAWAZMQ-UHFFFAOYSA-N 382.460 3.766 0 40 GHAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1S(=O)(=O)NC(C)C 8475874 PKZXFZKNHGHBEJ-UHFFFAOYSA-N 398.484 3.787 0 40 GHAB O=C(O)COc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 1073087 NUUDXLQCWABHTA-UHFFFAOYSA-N 389.473 3.999 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(C(C)C)n2Cc2ccco2)c1 10929204 ZQFHPHNOVNVEDU-UHFFFAOYSA-N 386.477 3.782 0 40 GHAB CNc1nc(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)nc2ccccc12 24845786 FOSUCCXCHGETET-CYBMUJFWSA-N 384.480 3.950 0 40 GHAB O=C(CN1CCCCCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3236793 HWHWCTWGSCIEHY-UHFFFAOYSA-N 399.457 3.747 0 40 GHAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1nc(Cl)ccc1Cl 55623947 RRWLJMSEMYTZTK-UHFFFAOYSA-N 388.254 3.528 0 40 GHAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cnn(Cc2ccc(Cl)cc2Cl)c1 103160012 CIGHPEZOBMIUNR-BNBDDXAPSA-N 388.254 3.550 0 40 GHAB COc1ccccc1N1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1 57363842 XSCULBKNTFIAJA-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB CCCCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 102094566 ADYYPCXEMBFGHJ-RYLXDESZSA-N 389.879 3.750 0 40 GHAB Cc1noc(-c2ccc(C(=O)NCc3cccnc3OC3CCCC3)cc2)n1 58002902 OVOBBHBXCDDQCG-UHFFFAOYSA-N 378.432 3.691 0 40 GHAB CC(C)n1ncc2cc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cnc21 12770868 SPJGLWPETPTMCS-KRWDZBQOSA-N 384.505 3.895 0 40 GHAB Cc1cccc(C(=O)NCCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)c1 12774954 AFIBAMQNGKYRGV-UHFFFAOYSA-N 381.476 3.738 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 59227230 QJGJKHIDTQJMCB-CQSZACIVSA-N 386.835 3.508 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)cc1 12790600 XMDPBWJRQNHLLR-UHFFFAOYSA-N 377.425 3.597 0 40 GHAB CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccco2)sc(CC)c1C 3388215 QTANCYBQAPYMBE-CMDGGOBGSA-N 391.445 3.584 0 40 GHAB O=C(NC1CC1)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 55639467 OYJIPWCGJWRHQS-UHFFFAOYSA-N 385.272 3.686 0 40 GHAB CCn1c(NC(=O)CSCC(=O)Nc2cccc(C)c2)nc2ccccc21 10651216 UXTXCRUHDRAMED-UHFFFAOYSA-N 382.489 3.675 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2cccc(Cl)c2)cc1 22275905 QOKZUYLCXFFVOE-UHFFFAOYSA-N 394.924 3.616 0 40 GHAB CC(=O)c1c[nH]c(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2Cl)c1 12863947 FGJOPSRJNDDSRQ-INIZCTEOSA-N 376.840 3.684 0 40 GHAB O=C(Nc1ccc(OCC(=O)N2CCCc3ccccc32)cc1)c1ccco1 2665253 VUBXGXUDINCOEJ-UHFFFAOYSA-N 376.412 3.890 0 40 GHAB COC(=O)c1ccc(CSc2nnc(Nc3ccccc3OC)s2)o1 3494485 YHCPAQZUSNLNQU-UHFFFAOYSA-N 377.447 3.962 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CSCc1ccc(F)cc1)CC2 3435555 ADDIAVKESRZZCL-UHFFFAOYSA-N 375.465 3.661 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2F)c(C)c1 12903092 UIBNOKQBZAUWKF-GOSISDBHSA-N 390.480 3.543 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](NCc2nnc3ccccn23)c2ccccc2)c1 12993674 RPWMEUONKVHCPW-JOCHJYFZSA-N 385.471 3.816 0 40 GHAB CC(C)(C)c1ccc(C(=O)C(=O)Nc2cc(N3CCOC3=O)ccc2F)cc1 64311686 NSNNLBPOTGHKKB-UHFFFAOYSA-N 384.407 3.901 0 40 GHAB CN1CCCc2cc(NC(=O)[C@]34CCC(=O)N3c3ccccc3S4)ccc21 64845653 SXUUCXOVOCXPAA-OAQYLSRUSA-N 379.485 3.637 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(F)cc2)c1C 9237694 ZSSDXDXWRCEOAU-ZWKOTPCHSA-N 397.479 3.740 0 40 GHAB Cc1nc(CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)oc1C 49983157 FPLBOMITBKSTPJ-UHFFFAOYSA-N 379.460 3.979 0 40 GHAB CCc1ccccc1NC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944862 ASIDOIWFWVQRCY-KRWDZBQOSA-N 393.462 3.899 0 40 GHAB CC(C)N(C)C(=O)c1ccc(CNC(=O)C2(c3ccccc3)CCOCC2)cc1 25146864 NNDJNSAHBYZOGR-UHFFFAOYSA-N 394.515 3.532 0 40 GHAB CCC1(C(=O)NC[C@H](C)Nc2ccccc2)CCN(C(=O)c2ccccc2)CC1 96004803 AWLLQEJEFWTHAX-IBGZPJMESA-N 393.531 3.936 0 40 GHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)N[C@H]1CCCc2ccccc21 14136332 QFFOAEDRUNKROA-INIZCTEOSA-N 381.457 3.725 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)NC(C)C)cc1 14190218 JBDNHKROZIQDTA-OAHLLOKOSA-N 383.448 3.709 0 40 GHAB CCc1ccc(OCc2ccc(C(=O)N3N=CC[C@@]3(O)C(F)(F)F)o2)cc1 6555786 LIXJASMJRICXSC-QGZVFWFLSA-N 382.338 3.504 0 40 GHAB Cc1ccc(NC(=O)c2nnn(Cc3ccccc3Cl)c2N)c(Cl)c1 4852492 QCOOCSIDURMSRS-UHFFFAOYSA-N 376.247 3.776 0 40 GHAB Cc1ccccc1-c1nnc2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n12 4815968 YZDBHKHNLMMCQC-NVNXTCNLSA-N 388.279 3.981 0 40 GHAB Cc1c(NC(=O)CCc2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C 15269419 FHTCEMVODLHBAI-UHFFFAOYSA-N 392.484 3.665 0 40 GHAB CN(C)CCn1c(SCc2cc(F)cc(F)c2)nc2ccccc2c1=O 67258709 CKQRCHXUCCCLDB-UHFFFAOYSA-N 375.444 3.529 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 9486635 DWGMCUIABYIIBB-OAHLLOKOSA-N 379.435 3.727 0 40 GHAB COCCCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(C)cc3)ccc2c1=O 16597920 JIUFTYYFERYVSA-UHFFFAOYSA-N 383.473 3.656 0 40 GHAB O=C(Cc1nc(-c2ccc(N3CCCC3=O)cc2)cs1)NCc1ccccc1 8103630 XZFAQTODEGPTPH-UHFFFAOYSA-N 391.496 3.796 0 40 GHAB O=C(Sc1nnc(-c2ccco2)o1)c1ccc(I)cc1 408527124 FBATTZYNOOADCS-UHFFFAOYSA-N 398.181 3.867 0 40 GHAB Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)c4ccco4)s3)CC2=O)c1 8654688 JSGNREZJSREPTI-ZDUSSCGKSA-N 382.445 3.521 0 40 GHAB COCCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(F)cc1 8606610 PQEYVKMTAXUGPE-OAQYLSRUSA-N 395.434 3.812 0 40 GHAB COc1cc(CN(C)CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1O 72308065 JJSXWOHSFPOEAH-MRXNPFEDSA-N 382.504 3.589 0 40 GHAB CC(C)CCNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 408703829 YSQDPXKTVLBIBY-UHFFFAOYSA-N 395.352 3.702 0 40 GHAB CCOc1ccc(-c2nnc(NCc3cc(OC)c(OC)c(OC)c3)o2)cc1 95445171 VGKIDZGESTYLLK-UHFFFAOYSA-N 385.420 3.773 0 40 GHAB C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 95481679 VWLJLSMPIPAVCA-QGZVFWFLSA-N 384.545 3.957 0 40 GHAB COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 113885646 JMMFSQPKACRLPT-UHFFFAOYSA-N 392.235 3.501 0 40 GHAB COc1cccc(C[C@H]2CCCN2C(=O)Nc2cccc3c2CCN3C(C)=O)c1 547390068 FNHZBNSVOKHBJE-GOSISDBHSA-N 393.487 3.843 0 40 GHAB COc1cc(/C=C/C(=O)NCCO)ccc1OCc1c(Cl)cccc1Cl 62714816 VBGHWAPCADIAMB-SOFGYWHQSA-N 396.270 3.703 0 40 GHAB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)NCc1cccnc1-n1ccnc1 42497845 SNEATDRDXLAOCL-ZZXKWVIFSA-N 392.846 3.569 0 40 GHAB O=C(CNS(=O)(=O)c1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 409086724 AUUNSJVUHKKJLT-UHFFFAOYSA-N 393.679 3.564 0 40 GHAB COc1ccccc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCC2 33649571 AKKYFDMVKLBDOU-UHFFFAOYSA-N 383.395 3.724 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=O)CSc2ccc(OC)c(OC)c2)c1 30851905 IPRLHNHCHDBQHD-UHFFFAOYSA-N 389.473 3.920 0 40 GHAB O=C(C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 39964094 OCIJLBCPZCRQKY-QGZVFWFLSA-N 380.835 3.769 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 31904080 OPSLDMGMXUMTTH-UHFFFAOYSA-N 393.774 3.513 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)N3CCC(c4ccccc4)CC3)cnc12 32366961 GUPMZIQBBVTSJJ-UHFFFAOYSA-N 375.472 3.501 0 40 GHAB CCN(CC)C(=O)CN1CC[C@H](c2cc(Cc3ccc(F)cc3)cc(C)n2)C1 72374731 LKYUGUACHBGOCL-FQEVSTJZSA-N 383.511 3.778 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1cccc(Cl)c1 79491743 HZEQIKGLCGCXAP-INIZCTEOSA-N 379.869 3.832 0 40 GHAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1)C1CC1 72398565 UXKVFKQCAIBIIK-UWJYYQICSA-N 385.458 3.839 0 40 GHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CCCC2)cc1OC 224413569 JELRUPDKWPUYSH-UHFFFAOYSA-N 396.487 3.805 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 225389824 SPNKVGXJURMQEO-OAQYLSRUSA-N 382.504 3.571 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1 225454462 FIMPYKHFRMARBC-PMACEKPBSA-N 396.531 3.748 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 223282223 NSWODPMYZBRAFI-MRXNPFEDSA-N 388.458 3.841 0 40 GHAB COc1ccc(-c2nnsc2C(=O)OCc2cccc(OC)c2OC)cc1 223838064 VFHRIILZBRGYCY-UHFFFAOYSA-N 386.429 3.588 0 40 GHAB Cc1noc(C)c1Cn1cc(-c2nc(-c3ccccc3Cl)no2)ccc1=O 77100783 FDVSDGXGBBUIDH-UHFFFAOYSA-N 382.807 3.872 0 40 GHAB CCn1ccnc1[C@H]1CCCCN1C(=O)N=c1cc(-c2ccccc2F)o[nH]1 576927553 LZZVQHQQCNJWGC-MRXNPFEDSA-N 383.427 3.878 0 40 GHAB Cc1cncc(C(=O)N2CCc3nc(-c4ccc(F)cc4)nc(C)c3CC2)c1 96254735 NLGCIWWXPNZBRL-UHFFFAOYSA-N 376.435 3.536 0 40 GHAB CC(C)n1c(CNC(=O)C2(c3ccccc3)CCOCC2)nc2ccccc21 96231061 OEWYLDRLDCZGMC-UHFFFAOYSA-N 377.488 3.982 0 40 GHAB O=C(c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn23)n1)N1CCCO1 96038130 ORTYEGRUPVGZGM-UHFFFAOYSA-N 376.391 3.709 0 40 GHAB CC(C)n1cc(CCC(=O)NCCc2nnc3ccccn23)c2ccccc21 95479763 PQLBOIUYJRPPAN-UHFFFAOYSA-N 375.476 3.556 0 40 GHAB COc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C43CC3)s2)cc1OC 248140660 RMZPXVGECPUAAZ-MGPQQGTHSA-N 383.473 3.763 0 40 GHAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 240739428 APTGAXVVTSODPN-OAHLLOKOSA-N 376.378 3.683 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cn1 257244624 IMCYBAGVTJPTSB-MRXNPFEDSA-N 380.423 3.523 0 40 GHAB COCCOCC(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257266974 MFJJWQRIVOOLIS-GOSISDBHSA-N 392.883 3.635 0 40 GHAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCCN(Cc2nccs2)C1 257298353 RLIHKISMNIXYFO-OAHLLOKOSA-N 398.536 3.651 0 40 GHAB COc1ccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)c(OC)c1 260742528 WWJWUSLNOHXURZ-OAHLLOKOSA-N 385.533 3.832 0 40 GHAB CC(C)Cn1nc(C(=O)NC[C@H]2CCc3ccccc3C2)c2ccccc2c1=O 604953810 GDIPKCCTIUDDRO-KRWDZBQOSA-N 389.499 3.587 0 40 GHAB C[C@@H](NC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccc(-n2cccn2)c(F)c1 654573316 ZHBGIHURHYFMBX-XMCHAPAWSA-N 386.471 3.719 0 40 GHAB COC1CCN(c2ccc(NS(=O)(=O)Cc3cc(F)ccc3F)cc2)CC1 96122400 YFCLEQNYZHGCJQ-UHFFFAOYSA-N 396.459 3.522 0 40 GHAB O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cc(F)ccc3F)C[C@H]12)C(F)F 585109630 GRGVZUSNDCJXAK-XYJFISCASA-N 378.369 3.616 0 40 GHAB Cc1ccc(OCCCC(=O)N2CCC(c3n[nH]c4nccnc34)CC2)c(C)c1 72393809 AGXLFEVRMBEIRF-UHFFFAOYSA-N 393.491 3.535 0 40 GHAB C=CCc1cc(/C=C2/NC(=O)N(C)C2=O)cc(OC)c1OCc1ccc(F)cc1 8091546 LZPSKNCJIYSUKS-WOJGMQOQSA-N 396.418 3.664 0 40 GHAB COc1cccc(Cn2cc(C)cc(NC(=O)NCc3ccccc3)c2=O)c1 5000908 PSUIYIAXQBDSQK-UHFFFAOYSA-N 377.444 3.535 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2ccc(OC)cc2)cc1 5155434 KGUYFZZAPMUITG-HXUWFJFHSA-N 391.427 3.653 0 40 GHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(N2CCCCS2(=O)=O)c1 5439166 ITYIQGJIIGKOIJ-UHFFFAOYSA-N 398.406 3.888 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3ccccn3)n2)cc1 5692678 GGJBMKXBKFFNFC-ZDUSSCGKSA-N 381.457 3.952 0 40 GHAB Cc1cccc(NC(=S)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1C 5898536 YTMCFDXPPCWMMD-UHFFFAOYSA-N 389.546 3.897 0 40 GHAB CCCN1C(=S)N[C@@H](c2ccc(F)cc2)C(C(=O)Nc2cc(C)on2)=C1C 11202747 VJWVJHKKMQAEIA-KRWDZBQOSA-N 388.468 3.676 0 40 GHAB C[C@H](NC(=O)C1(c2cccc(F)c2)CCCC1)c1nc(-c2cccnc2)n[nH]1 12114767 HRMSJKSIZWUDIQ-AWEZNQCLSA-N 379.439 3.695 0 40 GHAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc(OC(F)F)cc3)ccc21 12561993 SVBUGAQCYIGDRZ-LBPRGKRZSA-N 389.402 3.636 0 40 GHAB CC(=O)N1CCN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 12763863 PJPLGCMBBHFWFF-UHFFFAOYSA-N 388.552 3.611 0 40 GHAB COc1cc(Br)c(CCNC(=O)c2cccc(F)c2)cc1OC 16965464 PYKTXWDYOHPOIQ-UHFFFAOYSA-N 382.229 3.578 0 40 GHAB COc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1Br 19361734 YYBQGKNCXLPPSM-NJAFHUGGSA-N 391.353 3.788 0 40 GHAB NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccccc2)C1 19368639 QIMQLWCSMNXEQE-HSZRJFAPSA-N 390.508 3.975 0 40 GHAB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)c1cccc(N(C)C)c1)C2 19585066 RSJHJZBOXHBPEK-HSZRJFAPSA-N 394.515 3.755 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)C)no2)CC1 100750113 BTQNSDKQEFHXHE-LLGFUMIMSA-N 398.507 3.607 0 40 GHAB O=C(Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2)C12CC3CC(CC(C3)C1)C2 4105953 PGCYHSFUYXCASG-WQTZHZCJSA-N 395.528 3.790 0 40 GHAB CN1CCN(Cc2ccccn2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19589438 JBUCYIRPAWUJDB-QHCPKHFHSA-N 385.511 3.882 0 40 GHAB COCCOc1cccc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c1 19589292 REGWWIWHTNGYQC-WXFUMESZSA-N 398.522 3.913 0 40 GHAB Cc1cc(C(=O)Cn2ncc3ccccc3c2=O)c(C)n1Cc1cccs1 5453332 KUAHPMHBBHWSDZ-UHFFFAOYSA-N 377.469 3.808 0 40 GHAB O=C(CNC(=O)Cc1ccccc1)NCc1ccc(-c2ccc(Cl)cc2)o1 7990592 RFYIXHANLHWXGV-UHFFFAOYSA-N 382.847 3.575 0 40 GHAB COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCCN(C)C)CCCO2)c1 1848353463 BMTNGRUSMFHQKU-XMMPIXPASA-N 396.531 3.522 0 40 GHAB COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1cc(F)ccc1OC 22474194 JCSHZKXVJYCAET-UHFFFAOYSA-N 397.402 3.877 0 40 GHAB CSc1ncccc1C(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 13716700 NVHCXLOMINJAAX-UHFFFAOYSA-N 397.525 3.976 0 40 GHAB CCc1ccc(NC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)cc1 101301739 ZIMBFSATPDYOMQ-UHFFFAOYSA-N 385.423 3.906 0 40 GHAB Cc1nc2ccc(C(=O)N3CCC[C@]4(C3)OC(=O)c3ccccc34)cc2s1 207986479 NLEOBRSHTDVHOA-OAQYLSRUSA-N 378.453 3.907 0 40 GHAB Cc1nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)[nH]c(=O)c1C 44168999 HSJDDKADJSEXKQ-UHFFFAOYSA-N 382.367 3.748 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccn2C)cc1 49410129 USONBPKVGRRORS-UHFFFAOYSA-N 388.514 3.680 0 40 GHAB Cc1nc2cc(NC(=O)NCc3cccnc3-c3cnn(C)c3)ccc2s1 575619431 SYDYIUWFVMSQFW-UHFFFAOYSA-N 378.461 3.722 0 40 GHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 40108053 LRUVOCDKTKKQFV-DZGCQCFKSA-N 389.521 3.752 0 40 GHAB NC(=O)c1ccc(NC(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)cc1 40266530 HFEIVCCHQICGHA-UHFFFAOYSA-N 399.450 3.958 0 40 GHAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2ccc(C(=O)O)cc2)c1 40268095 IXJVJGATSMAYFZ-HNNXBMFYSA-N 393.399 3.711 0 40 GHAB CSCC[C@H](NC(=O)c1cc(C)nc2ccccc12)c1nnc2ccccn12 20737940 VDYUNLGWNBLWEC-SFHVURJKSA-N 391.500 3.810 0 40 GHAB CN(C)[C@@H](CNc1cc(C(=O)NC2CC2)c2ccccc2n1)Cc1ccccc1 32837530 SEQJFURWUWCCPO-LJQANCHMSA-N 388.515 3.712 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](NCC(C)(C)N2CCOCC2)c2ccccc2)c1 22038628 MGPOMAMZBLYCKY-JOCHJYFZSA-N 395.547 3.684 0 40 GHAB CN(CCOc1ccc(Cl)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 22024831 DBNRXACTLNVKHT-UHFFFAOYSA-N 378.259 3.741 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2nc3c(s2)Cc2cc(OC)ccc2-3)c1 792500 HNOGKQFIYDWLGA-UHFFFAOYSA-N 382.441 3.992 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)o2)cc1OC 882397 JRBWALWCKUEWJV-BETUJISGSA-N 391.493 3.635 0 40 GHAB C[C@@H]1CCN(C(=O)CCn2cnc3ccccc3c2=O)c2ccccc2S1 22258213 CXIIAMJIUFROEO-OAHLLOKOSA-N 379.485 3.704 0 40 GHAB Cc1ccc(C)c(-n2c(SCC(=O)N3CCCC3)nc3ccccc3c2=O)c1 1329094 RBXGVNNNANVBNB-UHFFFAOYSA-N 393.512 3.717 0 40 GHAB O=C(Cn1c(SC(F)F)nc2ccccc21)N1CCc2sccc2C1 22328906 UAENOOUSVMDJOL-UHFFFAOYSA-N 379.457 3.997 0 40 GHAB Cc1ccccc1Cn1nc(C)c(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3C)c1C 2806350 HLKNZVDOOBQPTC-IHWFROFDSA-N 397.592 3.768 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1C 4548553 KRTVVAFSIOPCLX-UHFFFAOYSA-N 383.231 3.936 0 40 GHAB O=C1C(Cl)=C(Nc2cc(Cl)ccc2O)C(=O)N1CCc1ccccc1 938528 WUVSWXXPCGSJKQ-UHFFFAOYSA-N 377.227 3.519 0 40 GHAB O=C(c1cc(Cl)ccc1NCC(=O)N1CCc2ccccc21)N1CCCC1 42740438 GRZQYMWMVCALEB-UHFFFAOYSA-N 383.879 3.577 0 40 GHAB Nc1nc(Cl)cc(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)n1 54981790 JWNYRGTYBCROMY-UHFFFAOYSA-N 386.805 3.891 0 40 GHAB CCOc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3ncnn32)cc1 1291664 ABQIHXPEMXMMPA-IBGZPJMESA-N 382.464 3.842 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 35283896 OWMPMAFYNXWCHK-OALUTQOASA-N 379.504 3.981 0 40 GHAB Cc1cc(Cl)ccc1OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 20347325 XEIOTVVDYRGZKK-IBGZPJMESA-N 395.330 3.864 0 40 GHAB O=C1C[C@H](Nc2ccc(Br)cc2)C(=O)N1c1ccccc1Cl 101079587 VHFZJFWCYSEEOO-ZDUSSCGKSA-N 379.641 3.847 0 40 GHAB C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCN(c2nccs2)CC1 57475486 QFAQMRJCQUCAKZ-NSHDSACASA-N 385.320 3.599 0 40 GHAB Cc1c(OCC(=O)N2CCc3ccccc3C2)ccc2c3c(c(=O)oc12)CCC3 3273259 NNYLELBLSCGPBK-UHFFFAOYSA-N 389.451 3.554 0 40 GHAB O=C(Nc1ccc(Cl)cc1)OCCSc1nnnn1-c1ccccc1 2171278 WVYTWMCSNXHAFS-UHFFFAOYSA-N 375.841 3.657 0 40 GHAB COc1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ncccc2C)c(OC)c1 100149151 NCJRGAYLHHSTFT-RTBURBONSA-N 382.504 3.527 0 40 GHAB Cc1cc(C)c(C)c(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C 10560631 YPDYMYAEDJMZSV-HNNXBMFYSA-N 392.546 3.687 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)C1CCN(C(=O)C2CC2)CC1 10551101 KPGVPMNDIHSSAB-UHFFFAOYSA-N 395.528 3.886 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccccc1N1CCCCC1 58007278 QLNBKIDKEPTMQU-KRWDZBQOSA-N 381.476 3.981 0 40 GHAB Cn1ccnc1C1(O)[C@@H]2CCC[C@@H]1CN(Cc1cccc(OC3CCCC3)c1)C2 100150075 RVWOYEDKEBVXTC-WOJBJXKFSA-N 395.547 3.861 0 40 GHAB Cc1cc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c2c(C)noc2n1 36358271 QBZXXKQOHVCQNE-UHFFFAOYSA-N 385.851 3.617 0 40 GHAB Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCC3)oc2c1 21659788 CVAZFQDJYJDTJT-KRWDZBQOSA-N 380.444 3.570 0 40 GHAB CCOc1ccc(NCC(=O)NCc2ccc3c(c2)OCO3)c(C(F)(F)F)c1 60099491 UFTHMIMADFVRTO-UHFFFAOYSA-N 396.365 3.561 0 40 GHAB COc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)cs1 11904354 PPLPLAXQLPWQRC-NSHDSACASA-N 395.440 3.790 0 40 GHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)N1[C@@H](C)CCC[C@@H]1C 29975638 BVYJUTMEMDGTAD-KBPBESRZSA-N 394.537 3.987 0 40 GHAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc(F)c(F)c1F 3356810 FUQITBRZYGKPHI-SECBINFHSA-N 381.354 3.510 0 40 GHAB COc1ccc2cc(CN(C)C(=O)c3cccc(CS(C)(=O)=O)c3)ccc2c1 12810584 RURBCKRZRSMHRS-UHFFFAOYSA-N 397.496 3.665 0 40 GHAB O=C(CCCNC(=O)NC1CCCCC1)NCCc1ccc(C(F)(F)F)cc1 12998396 IBVLAHRLFZQGTC-UHFFFAOYSA-N 399.457 3.776 0 40 GHAB COC(=O)[C@]12CC[C@](C)([C@@H](OC(=O)c3cc4ccccc4oc3=O)C1)C2(C)C 4046821 HRLPOZCJNLVAKW-USCONSEESA-N 384.428 3.708 0 40 GHAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NC1CCOCC1 64997668 BPXXNBNIOQJXNP-UHFFFAOYSA-N 380.444 3.932 0 40 GHAB O=C(NCCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6147185 LZUSWWVVMTZUAS-UHFFFAOYSA-N 398.459 3.599 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](C)n2nnc3sc4c(c3c2=O)CCCC4)c1 5183381 VQQNCTOGNIPIPC-CYBMUJFWSA-N 382.489 3.548 0 40 GHAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 6252443 HKGAXHBTPDPOFM-KAOXLYBCSA-N 388.511 3.655 0 40 GHAB Cc1ccc(C)c(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)c1 71327308 UNYNIELWOZAWLF-UHFFFAOYSA-N 395.438 3.542 0 40 GHAB O=C(Oc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1)c1cccc2ccccc12 4556445 KRLDULOSHQRRFI-RBUKOAKNSA-N 379.437 3.847 0 40 GHAB COc1cc(NC(C)=O)c(C(=O)OCCOc2cc(C)ccc2C)cc1OC 6510779 AFCJQNINFQJUQZ-UHFFFAOYSA-N 387.432 3.515 0 40 GHAB COC(=O)c1ccc(NC(=O)Cn2ccc3cc(Br)ccc32)cc1 6624755 YXDPWPKSMLZOJL-UHFFFAOYSA-N 387.233 3.829 0 40 GHAB Cn1c(CNC(=O)c2ccccc2NC(=O)c2ccccc2)nc2ccccc21 8165840 BERUXDATECJCOV-UHFFFAOYSA-N 384.439 3.756 0 40 GHAB c1cncc(-c2nc(Sc3nnc(CN4CCCC4)o3)c3ccccc3n2)c1 8201120 RGPGPXKUBGPYLI-UHFFFAOYSA-N 390.472 3.822 0 40 GHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(CS(C)(=O)=O)cc1 8312065 XBOCZQRGQLXBID-UHFFFAOYSA-N 385.407 3.522 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N(C)Cc1ccc2c(c1)OCO2 8404422 LJEACPMIFGAVBC-UHFFFAOYSA-N 391.471 3.809 0 40 GHAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(N2C(=O)c3cccnc3C2=O)cc1 408721709 LKVQHLCZESFMQZ-UHFFFAOYSA-N 379.460 3.827 0 40 GHAB COc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2OC)cc1 8613855 FFWCIJQBOYJLRM-UHFFFAOYSA-N 381.428 3.905 0 40 GHAB COc1cccc2[nH]cc([C@H](CC(=O)NCc3nc(C)no3)c3ccccc3)c12 95479583 WAPNFXIZXJLRNU-MRXNPFEDSA-N 390.443 3.706 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccc2)c1 72271996 QTRINNYWKKQRJE-UHFFFAOYSA-N 392.864 3.949 0 40 GHAB O=C([C@@H]1CCn2cncc2C1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1 95972827 JBAHQYCTZGQEDX-LLVKDONJSA-N 389.286 3.819 0 40 GHAB O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)c1ccc(Br)s1 95993421 ZGMHVVNERBABTA-SNVBAGLBSA-N 378.650 3.767 0 40 GHAB CN(Cc1ccccc1)CC(C)(C)NCC(=O)Nc1ccccc1OC(F)F 89761687 KQLUAZLSFNFUKI-UHFFFAOYSA-N 391.462 3.727 0 40 GHAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)nc12 408624827 CIISMIJZBDRDTP-UHFFFAOYSA-N 399.497 3.811 0 40 GHAB CC(C)C(=O)Nc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 29369143 IKXWMDDUYTUUMH-UHFFFAOYSA-N 384.461 3.964 0 40 GHAB CCn1c(SCc2ccc(Br)cc2)nnc1-c1cnn(C)c1 32610308 DHUASKQLXKGSIY-UHFFFAOYSA-N 378.299 3.753 0 40 GHAB COc1ccc2c(c1)c([C@@H]1CN(Cc3ccccc3OC)C[C@H]1N(C)C)cn2C 72395532 JGMYLEYSLODRGJ-JTHBVZDNSA-N 393.531 3.725 0 40 GHAB COCCCC(=O)Nc1cccc(-c2noc(-c3ccc(OC)c(OC)c3)n2)c1 32609589 COTIEZHUBWBIGU-UHFFFAOYSA-N 397.431 3.786 0 40 GHAB CC(C)=C[C@H]1[C@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)C1(C)C 72096774 RCPZEHXVRMTIRA-IAOVAPTHSA-N 376.497 3.904 0 40 GHAB O=C(C1CCCCC1)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 72334811 PWUYQRFOBJYDGL-UHFFFAOYSA-N 397.494 3.868 0 40 GHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1F 225693658 HKNRODLGLGREAD-MRXNPFEDSA-N 388.458 3.697 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C 225388902 BPXCEFYCAKTVTO-QFIPXVFZSA-N 396.531 3.880 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 222635263 GIUULOKISAUQRE-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB CCn1c(=O)sc2cc(NC(=O)CCc3ccc(OC)c(OC)c3)ccc21 225106880 CQGZAVVHTHWOQB-UHFFFAOYSA-N 386.473 3.671 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1Cl 223624751 WUMIBWARVWRMTO-INIZCTEOSA-N 388.895 3.581 0 40 GHAB CCc1ccc(N2C(=O)[C@@H]3C[C@@H]4c5ccccc5N[C@@H]4[C@@H](C)N3C2=S)cc1 227055044 FDFLEPBXEZVLTQ-VRPLWUDZSA-N 377.513 3.921 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(F)cc1 222934276 RBQBTERQQYXTKR-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB Cc1ccc(N(Cc2cccs2)C(=O)c2cn(C[C@H]3CCOC3)nn2)cc1 528515809 DTUQCQNXPGSFEA-MRXNPFEDSA-N 382.489 3.532 0 40 GHAB COc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1COC(C)C 224429632 XDBYWXMDEAUXFQ-UHFFFAOYSA-N 398.503 3.591 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 225536524 AGNQUEXPORRASF-HNNXBMFYSA-N 391.562 3.747 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c(OC)c1 223659118 LELPJFOPICEJLT-UHFFFAOYSA-N 377.462 3.608 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1 224613112 KTLRMIHZKFQWJY-INIZCTEOSA-N 388.895 3.661 0 40 GHAB CC[C@H](C(=O)OCC(=O)NCc1ccccc1Br)c1ccccc1 95471401 OGYWLFYXUUMYLE-INIZCTEOSA-N 390.277 3.802 0 40 GHAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21)NCC1CC1 96241983 LNGSEXOKNFMQJF-GOSISDBHSA-N 392.499 3.857 0 40 GHAB CC(C)CCN1[C@]2(CCN(Cc3ccccc3)C2)c2ccccc2S1(=O)=O 96143268 HMKBRGNAVDKLCI-QFIPXVFZSA-N 384.545 3.838 0 40 GHAB COc1cc(C)c(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)cc1OC 253480600 XVDHBKUQURBWAX-PXNSSMCTSA-N 394.519 3.664 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1Cc1cnc(C2CC2)o1 585123840 FAYBIGZLLDOLQK-NRFANRHFSA-N 392.503 3.987 0 40 GHAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)/C=C/CN(C)C)C3)c2)n1 585291312 AYMUNKRAJVCBBY-BQHJZSHBSA-N 393.535 3.661 0 40 GHAB O=c1cc([C@@H]2CCCN(Cc3ccccc3Cl)C2)nc(-c2ccncc2)[nH]1 72392921 ZYFXIAHSZCJUPV-QGZVFWFLSA-N 380.879 3.865 0 40 GHAB c1ccc2c(c1)NC1(CCN(Cc3cccc4cccnc34)CC1)N1CCN=C21 72327131 XIMIQLWCJOTLGQ-UHFFFAOYSA-N 383.499 3.715 0 40 GHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNC(=O)NCc1ccccc1 1775964051 PLRCUNMNQYMBIP-GUGJDKNPSA-N 391.515 3.559 0 40 GHAB biogenic,in-vitro O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1C[C@H]1CCCO1 5215818 PQESHIPHIIOERK-BFUOFWGJSA-N 379.387 3.656 0 40 GHAB CSc1nnc(-c2c(-c3ccccc3)c(-c3ccccc3)nn3nnnc23)o1 5515357 SUYPEKLWFRHCBX-UHFFFAOYSA-N 387.428 3.625 0 40 GHAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2C)n1C 5861019 HGDUQWMZYUIKKD-UHFFFAOYSA-N 382.489 3.838 0 40 GHAB Cc1ccc(S(=O)(=O)NCC(=O)OC(c2ccccc2)c2ccccc2)cc1 5984041 ZMTWPGRWULXMQR-UHFFFAOYSA-N 395.480 3.606 0 40 GHAB CCN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)c1cccs1)c1ccccc1O2 12275006 ZNGSHDWCLSYVPO-KKSFZXQISA-N 384.501 3.773 0 40 GHAB COc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3ccccc3c2)CC1 12292294 FIPHRJBUGLNZBM-JOCHJYFZSA-N 377.484 3.865 0 40 GHAB O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)CCC2 12330151 PLUDDOXJYPWKRH-FCHUYYIVSA-N 379.500 3.559 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)COc3c(Cl)cccc3Cl)ccc21 12865392 CQGQIPFARRDGMC-UHFFFAOYSA-N 379.243 3.920 0 40 GHAB CC[C@H](C(=O)Nc1cc(Cl)ccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715428 SCZLCBAXKWQYRV-QGZVFWFLSA-N 398.887 3.971 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(Cl)c3C)ccc21 14189002 LCPCZHYWDRSPJC-UHFFFAOYSA-N 378.881 3.748 0 40 GHAB COC(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)s1 15193557 FATXWPUGYLNWBG-UHFFFAOYSA-N 388.489 3.591 0 40 GHAB CCC(=O)N1N=C(c2cccc(OC)c2)Sc2c1nc(CC)n2C(=O)CC 16777721 SAXWSNIURGPGRC-UHFFFAOYSA-N 386.477 3.715 0 40 GHAB Cc1nc2ccccc2n1C[C@@H](C)C(=O)NCCc1nc2cc(Cl)ccc2[nH]1 19286742 BAOWGTXMGWUFHQ-CYBMUJFWSA-N 395.894 3.869 0 40 GHAB CCOc1ncccc1C(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C 19531511 IJNRUDQSNLPGIZ-CEMLEFRQSA-N 393.531 3.963 0 40 GHAB Cc1cc(C)n(Cc2c(C(=O)Nc3ccccc3N3CCCC3)noc2C)n1 19574360 ZCMYEZVHVCCTPS-UHFFFAOYSA-N 379.464 3.697 0 40 GHAB CCc1nc2ccccc2n1[C@H](C)C(=O)Nc1nc(-c2nonc2C)cs1 19666280 FYKAKLCJNCQFDR-LLVKDONJSA-N 382.449 3.613 0 40 GHAB CCOc1ccc(N2C(=O)/C(=C\NNC(C)(C)C)c3ccccc3C2=O)cc1 3568845 XFHFFAUYQNAUIQ-RGEXLXHISA-N 379.460 3.506 0 40 GHAB O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1cc(Cl)cc(Cl)c1 4926340 PZKQAQNGPLQBNN-UHFFFAOYSA-N 382.199 3.560 0 40 GHAB COc1cc(C)cc(OC)c1OCC(=O)Nc1cccc(Br)c1 5454588 XTDMLGWRJIUKOQ-UHFFFAOYSA-N 380.238 3.792 0 40 GHAB Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)NCCc1ccccc1 7188989 NTWNNOUTIFJECG-INIZCTEOSA-N 380.517 3.724 0 40 GHAB COc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)oc2ccccc23)cc1 2500747 MTDVNCSUSBYSKH-UHFFFAOYSA-N 397.452 3.952 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc3ccc(-c4ccco4)nn23)cc1 5168173 WJNPYPXXUJHLBT-UHFFFAOYSA-N 395.444 3.514 0 40 GHAB CCCCc1cnc2c(c1SCc1ccccc1C)c(=O)n(C)c(=O)n2C 15883607 UJCUIEDNHOPUEX-UHFFFAOYSA-N 383.517 3.576 0 40 GHAB Cc1nc(CN2CC3(CCN(C(=O)[C@@]4(C)CC=CCC4)CC3)CC2=O)cs1 2055796137 BWXWYBGYBSEYMQ-FQEVSTJZSA-N 387.549 3.539 0 40 GHAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N2 23140199 CTPFQTOWZIWMNG-QOKNQOGYSA-N 390.361 3.672 0 40 GHAB COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccc(OC(C)C)cc1)n2C 100909096 UECHDRZMOOLULC-MRCUWXFGSA-N 386.473 3.785 0 40 GHAB CCSc1ccccc1C(=O)NC[C@](O)(c1ccccc1)C1CCOCC1 575611559 FZUOUTDFYITSQR-QFIPXVFZSA-N 385.529 3.843 0 40 GHAB Cc1sc(-c2ccco2)nc1C(=O)N[C@H](c1ccccc1)c1nccn1C 40062741 VALQQXXFJHHGGN-QGZVFWFLSA-N 378.457 3.964 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NC1CCN(Cc2ccccc2)CC1 32676070 FSFOTJRPQASXND-UHFFFAOYSA-N 390.527 3.919 0 40 GHAB CCOc1cc(S(=O)(=O)N2CCCC[C@H]2CC)ccc1Br 41096757 WQPRBXVBJYJKRZ-GFCCVEGCSA-N 376.316 3.801 0 40 GHAB Cc1nn(C)c2ncc(C(=O)O[C@H](C)C(=O)C34CC5CC(CC(C5)C3)C4)cc12 32899854 XPVATBNNKSBCJW-ZHHULCEESA-N 381.476 3.608 0 40 GHAB CCc1ccc(OCc2nnc(SCC(N)=O)n2-c2cccc(C)c2C)cc1 1328406 VWLHGZSUYAPMEF-UHFFFAOYSA-N 396.516 3.603 0 40 GHAB Cc1cccc2cc(CN(C[C@@H]3CCCO3)C(=O)CC(C)(C)C)c3nnnn3c12 1376779 LPDAKROJIUQHAI-SFHVURJKSA-N 395.507 3.530 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 1691642 SAVZLVVMSYHORC-UHFFFAOYSA-N 396.410 3.944 0 40 GHAB O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 1935338 DNTJGNVOESSNHA-NTEUORMPSA-N 379.441 3.534 0 40 GHAB COc1cccc(-n2ccnc2SCC(=O)N2CCCc3ccccc32)c1 2723115 PKPXZQCXOLPDDF-UHFFFAOYSA-N 379.485 3.952 0 40 GHAB CC(=O)c1cccc(NC(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 3217286 ONBKWXHJZFKZBZ-UHFFFAOYSA-N 389.835 3.882 0 40 GHAB COc1ccccc1NC(=S)NCCc1cc2c(C)ccc(C)c2[nH]c1=O 4225377 ZDLGZSPQHLGEJM-UHFFFAOYSA-N 381.501 3.683 0 40 GHAB O=C(C[C@@H](NCc1ccco1)C(=O)O)Nc1ccc(Oc2ccccc2)cc1 4280051 SSLKNXWYQIZUOS-LJQANCHMSA-N 380.400 3.644 0 40 GHAB O=C(CSc1ncnc2sc3c(c12)CCC3)c1ccc2c(c1)OCCO2 4284171 TYJMFBHQIOKYIT-UHFFFAOYSA-N 384.482 3.926 0 40 GHAB CCCn1c(C)cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CS3)c1C 4462729 BCPUWLGGHXFMGG-UHFFFAOYSA-N 386.473 3.599 0 40 GHAB Cc1ccc(-n2c(SCC(=O)N3CCCC3)nc3ccccc3c2=O)c(C)c1 4539028 HYJVUODHDGDJLG-UHFFFAOYSA-N 393.512 3.717 0 40 GHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1C[n+]1cccc(C(N)=O)c1 4671329 AREVPJAUQFATLC-UCNVEGJOSA-O 395.523 3.739 0 40 GHAB C[C@H]1NC(=O)N[C@@H]1CCCCCC(=O)NC(c1ccccc1)c1ccccc1 4690250 MJLWFWCJUSOXEQ-YLJYHZDGSA-N 379.504 3.913 0 40 GHAB Cc1ccc(-c2n[nH]c(NCCc3c[nH]c4ccc(Cl)cc34)nc2=O)cc1 4818441 FHHGFJYSEAGZQF-UHFFFAOYSA-N 379.851 3.930 0 40 GHAB Cc1cc(C)c2cc(CN(Cc3cccs3)C(=O)C3CC3)c3nnnn3c2c1 4879815 MKGLPVPBASQXNV-UHFFFAOYSA-N 391.500 3.895 0 40 GHAB CSc1nnc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1C 5001680 DFHCKJNLJKFCSS-UHFFFAOYSA-N 379.795 3.531 0 40 GHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NC3CCCCC3)o2)c(OC)c1 5392082 OGGQRNGIRYQPFH-GFCCVEGCSA-N 391.493 3.683 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2I)c(OC)c1 5513282 PLXGMVBIFLSOQH-UHFFFAOYSA-N 383.185 3.561 0 40 GHAB Cc1ccc(NC(=O)COC(=O)Cc2ccc(F)cc2)c(Br)c1 5634338 RCIVUOICTMJMSK-UHFFFAOYSA-N 380.213 3.621 0 40 GHAB Cc1c(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cccc1C(=O)O 6571318 YDGQWDBIKMYGGW-UHFFFAOYSA-N 386.473 3.855 0 40 GHAB CCCCC(=O)NC(=S)N(Cc1cccnc1)c1ccc(C(=O)OCC)cc1 6593797 GUWGUPXJHAHTMT-UHFFFAOYSA-N 399.516 3.856 0 40 GHAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 6786460 QKYVJLAOZRAMEL-UHFFFAOYSA-N 394.349 3.547 0 40 GHAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1ncccn1 6912209 SSBJWFNHKDUTCK-UHFFFAOYSA-N 379.507 3.644 0 40 GHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CCCCC2)cc1 6954670 IHHAQPSBTRAVGN-UHFFFAOYSA-N 399.516 3.821 0 40 GHAB CSc1ncccc1C(=O)OCc1cc2c(cc1Br)OCO2 7157203 DRMFPXXQORQMOA-UHFFFAOYSA-N 382.235 3.652 0 40 GHAB C[C@@H]1Cc2cc(-c3csc(NC4CCCC4)n3)ccc2N1S(C)(=O)=O 7273801 CRDXLRIFKJXJBC-GFCCVEGCSA-N 377.535 3.875 0 40 GHAB CCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 7653673 LZEIZPDDBXWPCR-UHFFFAOYSA-N 382.432 3.781 0 40 GHAB Cc1cc(C(=O)COC(=O)Cc2ccsc2)c(C)n1NC(=O)c1ccccc1 7784118 DVEIGNGKLOOIEW-UHFFFAOYSA-N 396.468 3.519 0 40 GHAB CCN(CC(=O)NCc1cccs1)Cc1cc(=O)oc2cc(C)c(C)cc12 7788939 SYVCZHJEJANNHA-UHFFFAOYSA-N 384.501 3.610 0 40 GHAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC[C@@H]3CCCO3)cc12 8133472 ZZLYUVSZZHNEPO-LBPRGKRZSA-N 375.881 3.958 0 40 GHAB CCOc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCC(N)=O 8253783 RMEFAAMPJGENAC-UHFFFAOYSA-N 383.275 3.546 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnnn1Cc1cccs1 8390376 DIPINMFXJXFVCT-GFCCVEGCSA-N 383.502 3.936 0 40 GHAB COc1cccc(-c2noc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)c1 8981590 LAPVCFZMSNVWMG-SFHVURJKSA-N 393.443 3.854 0 40 GHAB O=C1c2ccccc2N[C@H](c2cc(Cl)c3c(c2)OCO3)N1C[C@H]1CCCO1 9368157 DDQLXWCRPQFJKI-YJYMSZOUSA-N 386.835 3.814 0 40 GHAB CCc1ccc(N2C[C@@H](c3nc(-c4ccc(OC)c(OC)c4)no3)CC2=O)cc1 10336629 LNNQXLCSXIPMNP-INIZCTEOSA-N 393.443 3.837 0 40 GHAB COc1cccc(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1 10838892 YDMXJDDZPRBYHA-UHFFFAOYSA-N 378.519 3.557 0 40 GHAB Cc1cc(OCC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)ccc1Cl 11002201 JKGYBOYLEKKYDB-MRXNPFEDSA-N 386.879 3.905 0 40 GHAB O=C(CSc1nnc(N2CCCCC2)n1C1CC1)Nc1cccc(Cl)c1 11369962 CRVYNSNBGHWVBS-UHFFFAOYSA-N 391.928 3.988 0 40 GHAB CC[C@@H]1Oc2nc3ccccc3cc2CN(Cc2ccc3c(c2)OCO3)C1=O 12115624 CQGANJHVNYGTHA-SFHVURJKSA-N 376.412 3.663 0 40 GHAB COc1ccc2c(c1)CN(Cc1ccncc1)CC1(CCC(CN(C)C)CC1)O2 12133613 PQDAIXGKPHCBCR-UHFFFAOYSA-N 395.547 3.975 0 40 GHAB Cc1cc2nc([C@@H]3CCCN(C(=O)c4ccco4)C3)cc(C(F)(F)F)n2n1 12186745 FHGSPNHFMBXTFF-GFCCVEGCSA-N 378.354 3.669 0 40 GHAB COc1ccc(C2(O)C[C@@H]3CC[C@H](C2)N3Cc2ccc(CN(C)C)cc2)cc1 12344896 WOLVAHREUCUDPY-RIKCKFAHSA-N 380.532 3.771 0 40 GHAB O=S(=O)(Nc1cnc(-c2ccccc2)nc1)c1ccc(Br)cc1 12507912 GQKRODGOXYWVMA-UHFFFAOYSA-N 390.262 3.707 0 40 GHAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 12555750 NNDRMJZBXFGMMX-OAHLLOKOSA-N 392.459 3.575 0 40 GHAB C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN(Cc1ccccc1)CC(F)(F)F)C2=O 12733875 DUYPVLHBWLVEKQ-HUUCEWRRSA-N 397.441 3.755 0 40 GHAB CC[C@H](NC(=O)CNC(=O)Nc1ccccc1)c1ccc(Br)cc1 12768420 SINDFHCSPNWNEY-INIZCTEOSA-N 390.281 3.838 0 40 GHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(N2CCOCC2)cc1 12798445 NNKGSZRGNFLAKA-UHFFFAOYSA-N 395.434 3.889 0 40 GHAB COC(=O)C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)c1cccs1 12864288 RNNDBZANLXTRFS-GFCCVEGCSA-N 388.272 3.854 0 40 GHAB C[C@H](NC(=O)Cn1c(S)nnc1-c1cccs1)c1cccc(Cl)c1 12899370 VYUUFDMCKKHOII-JTQLQIEISA-N 378.910 3.826 0 40 GHAB O=C(CCNC(=O)c1ccsc1)Nc1ncc(Cc2ccc(F)cc2)s1 12924515 SXVOQYZCNYSITE-UHFFFAOYSA-N 389.477 3.693 0 40 GHAB Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)NC3CCCCCC3)n2n1 13230505 WGEOJAUVIPHFIU-CYBMUJFWSA-N 383.521 3.906 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c(O)c1 14129377 RIDOBCBBISYADF-GFCCVEGCSA-N 378.350 3.711 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(Cl)c1 15413445 PFDYWXDJHQVOAM-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB Cn1c(=O)n(C)c2cc(COc3ccc(CNC4CCCCC4)cc3)ccc21 16363957 NAVDLFXDRLBORC-UHFFFAOYSA-N 379.504 3.878 0 40 GHAB Cc1cc(-c2cnc(NCCNC(=O)[C@H]3C[C@H]3C)nc2-c2ccc(C)s2)on1 19217393 VNBKYXVGEIGHEY-RISCZKNCSA-N 397.504 3.661 0 40 GHAB O=c1[nH]cc(-c2ccc(F)cc2)cc1CNc1ccc(CN2CCOCC2)cc1 19334290 VGYZJBDAMKWQSW-UHFFFAOYSA-N 393.462 3.625 0 40 GHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCC2)C1 19591391 SCNVGRAZEMVDBJ-QFIPXVFZSA-N 382.529 3.722 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 19809566 PHJKWLGEYWBQCC-AWWSKVOZSA-N 392.559 3.786 0 40 GHAB Cc1ccc(C)c(N(CCCC(=O)N(C)C2CCCCC2)S(C)(=O)=O)c1 20489800 ZNRHGNHGGWIFGC-UHFFFAOYSA-N 380.554 3.641 0 40 GHAB CCOc1cc2c(cc1OCC)[C@H](c1cc(OC)c(OC)c(OC)c1)NCC2 20494320 ZXXPIPZAGCPUTH-NRFANRHFSA-N 387.476 3.745 0 40 GHAB biogenic COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1 20725886 MSDDLYXNTSUOLT-LJQANCHMSA-N 394.406 3.515 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 21335831 XWCWHIZDIKYIJJ-UHFFFAOYSA-N 398.509 3.955 0 40 GHAB COc1cccc2sc(NC(=O)C[C@@H](NC(C)=O)c3cccs3)nc12 21444496 IACQXKJPGKCLCV-LLVKDONJSA-N 375.475 3.572 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCOCC2)cc1 21805480 VSIUWSQZKQDJFA-SFHVURJKSA-N 397.500 3.515 0 40 GHAB COc1ccc(CN2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1F 22804593 FKATVASXGGPASQ-INIZCTEOSA-N 396.466 3.763 0 40 GHAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)o2)cc1 22896884 KAFGPZLKGVJLQI-UHFFFAOYSA-N 385.441 3.823 0 40 GHAB O=C(COc1ccc(F)cc1Br)Nc1nnc(-c2ccccc2)o1 24746712 HGLYJCMAYSSPRC-UHFFFAOYSA-N 392.184 3.656 0 40 GHAB O=C(CC[C@@H]1CCCO1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 25019198 WZMGNCLRAWYDQO-HNNXBMFYSA-N 382.416 3.565 0 40 GHAB COc1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H]2c2ccccc2)cc1 26706693 CMVICHRGTMCQIG-LJQANCHMSA-N 394.500 3.732 0 40 GHAB O=C(CSc1ccc(Cl)cc1)NCc1ccc(CN2CCOCC2)cc1 29716034 FOSHGEBWJXVFFN-UHFFFAOYSA-N 390.936 3.581 0 40 GHAB CCOc1cccc(CNC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)c1 30751463 PGHQNTRDSCFRBW-CQSZACIVSA-N 375.490 3.900 0 40 GHAB Cc1ccc(-c2csc3nc(SCC(=O)N4CCC4)n(C)c(=O)c23)cc1C 31673154 PPHKWFCFMYOZNB-UHFFFAOYSA-N 399.541 3.603 0 40 GHAB CN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1nc(=O)c2ccccc2[nH]1 32654903 NTVLMTZJLOUJPD-UHFFFAOYSA-N 398.466 3.661 0 40 GHAB CCNC(=O)c1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 32983206 QZLPQMCCYGCEPP-UHFFFAOYSA-N 382.391 4.000 0 40 GHAB O=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 33131327 MGYQBBSLDOSLAF-UHFFFAOYSA-N 384.929 3.577 0 40 GHAB O=C(Cc1ccccc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 35598296 ZTYDIPRUDYMZNJ-UHFFFAOYSA-N 377.513 3.697 0 40 GHAB Cc1ccc(NC(=O)C[C@H](NC(N)=O)c2ccc(Br)cc2)cc1F 36394626 YSOBCOZAFOBDQJ-HNNXBMFYSA-N 394.244 3.635 0 40 GHAB Cc1ccccc1Cn1cnc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)n1 36613799 JIMQXJLRPVZMFV-UHFFFAOYSA-N 388.431 3.609 0 40 GHAB CN(Cc1ccsc1)C(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 39983544 BXKJJTMULLUGPO-UHFFFAOYSA-N 397.374 3.911 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1c2c(nn1-c1ccccc1)CCC2 40023517 JTJLRXHROFHPPI-UHFFFAOYSA-N 389.455 3.753 0 40 GHAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1cccnc1OCC(F)(F)F 40112571 BWHGXSYMUWAFNP-UHFFFAOYSA-N 390.321 3.857 0 40 GHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)COC1CCCCC1 40140794 RRFATXKQZUVHMD-UHFFFAOYSA-N 386.414 3.630 0 40 GHAB COC(=O)c1cccc2c1CCCN2C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 42712973 DXDQOUITKQEJRY-UHFFFAOYSA-N 381.476 3.895 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnco3)c2)C1 48344107 DRWXMARAXNZZDU-MRXNPFEDSA-N 391.431 3.619 0 40 GHAB Cc1csc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)cn2C)n1 49544075 TUVUPOGFDKBZSZ-UHFFFAOYSA-N 389.864 3.635 0 40 GHAB Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)NC1CCCCCCC1 51778869 GYLDLKRWYWGYQN-UHFFFAOYSA-N 389.565 3.716 0 40 GHAB O=C(COC(c1ccccc1)c1ccccc1)NCc1ccc(-n2cccn2)nc1 55485924 CPDOZFQNLOSLEC-UHFFFAOYSA-N 398.466 3.690 0 40 GHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1(C)C 58427504 XCWCMOFNDOWIHB-ICSRJNTNSA-N 390.487 3.721 0 40 GHAB O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)N[C@@H]1CCCNC1=O 60211900 MTTQTQADGJMYAR-MJGOQNOKSA-N 388.920 3.557 0 40 GHAB Cn1c(CN2CCOC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)nc2ccccc21 72322089 RTLKIIXPAMVIJX-FQEVSTJZSA-N 391.450 3.676 0 40 GHAB biogenic,in-vitro Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)N4CCSCC4)C3)nn2)cc1C 72328366 KLVDORCQRZFTPX-LJQANCHMSA-N 396.560 3.552 0 40 GHAB COc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)c(Cl)c2)cc1OC 72329279 RORQHOBSSSUEEY-UHFFFAOYSA-N 389.814 3.816 0 40 GHAB O=c1cc([C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)nc(-c2ccncc2)[nH]1 72392913 KYOILLMRNIHORZ-QGZVFWFLSA-N 380.879 3.865 0 40 GHAB CSc1nc2nc(C)c(CC(=O)N3CCC4(CCCCCC4)C3)c(C)n2n1 79025121 JBALXTNYAXSGDK-UHFFFAOYSA-N 387.553 3.578 0 40 GHAB COc1ccc(-n2ncc3c2N=C(O)CS[C@H]3c2c(C)nn(C)c2C)cc1 79482801 BRBZSKNNHLWOQC-GOSISDBHSA-N 383.477 3.655 0 40 GHAB Cc1ccc(Cn2nc(C)c(C(=O)N(C)CCCn3ccnc3)c2Cl)cc1 89633277 SGUHRYLHYYQPOF-UHFFFAOYSA-N 385.899 3.560 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1C 90607757 YDKMPSUPBBHWRO-UHFFFAOYSA-N 389.408 3.526 0 40 GHAB Cc1noc(C2CCN(Cc3cc(Cl)ccc3OC[C@H]3CCCO3)CC2)n1 91833800 URWUKRKNWXYNNN-GOSISDBHSA-N 391.899 3.969 0 40 GHAB Cn1nc(-c2ccccc2NC(=O)NCc2cccc3ccccc23)ccc1=O 96103356 SFSOJHQBCIGUEL-UHFFFAOYSA-N 384.439 3.922 0 40 GHAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccc2c(c1)OCO2 96119665 VHLAWCGUCUAZSU-UHFFFAOYSA-N 389.367 3.901 0 40 GHAB O=C(c1c[nH]c2c(F)cccc2c1=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 96232762 NZVTWDVEGXKYDU-KRWDZBQOSA-N 376.391 3.521 0 40 GHAB COc1ncccc1C1(O)C[C@H]2CC[C@H](C1)N2C(=O)c1csc2c1CCCC2 100723359 IKAKMQWLEDKZSO-HUUCEWRRSA-N 398.528 3.685 0 40 GHAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 101953090 VRJYAOSQBPBCPN-VLIVSTDHSA-N 380.878 3.986 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 108702466 WCFMOSAYUULVGY-PKTZIBPZSA-N 399.494 3.565 0 40 GHAB CCOc1cccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 113956059 XKLUEGLUMBDEDN-UHFFFAOYSA-N 390.505 3.579 0 40 GHAB Cc1cccc(-c2nnc(S(=O)(=O)[C@H]3CCc4c(Cl)cccc43)n2C)c1 133029254 CSGNWMRMQYJQSR-KRWDZBQOSA-N 387.892 3.905 0 40 GHAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC(=O)CS(=O)(=O)CCCc1ccccc1 195529276 NLGYPDXYXUYQOI-SXLOBPIMSA-N 379.566 3.611 0 40 GHAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 223211299 IEIBHNQFCJPTHB-HOTGVXAUSA-N 380.970 3.721 0 40 GHAB CN1C(=O)CC[C@@H](C(=O)NCCCc2ccc(F)cc2)[C@H]1c1cccc(F)c1 223282606 GKMRWSYUPYNNTM-TZIWHRDSSA-N 386.442 3.623 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 223667735 MBOJYIBVLGNXGV-LJQANCHMSA-N 382.504 3.707 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](C)C3)c2)c1 224139367 HQYQNINVAICDCQ-QGZVFWFLSA-N 386.517 3.692 0 40 GHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224619171 VOUWIZFZPGTCIO-UHFFFAOYSA-N 376.261 3.836 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 224671836 VNXOABVCWKQXQC-IAGOWNOFSA-N 383.488 3.925 0 40 GHAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2cc(Cl)ccc2C)c1=O 225969177 FWLSIDKNTDQRNH-UHFFFAOYSA-N 376.840 3.600 0 40 GHAB Cc1cc(NC(=O)COc2ccc(Br)cc2)cc2sc(N)nc12 226311822 KZDMWSSNJDBFDK-UHFFFAOYSA-N 392.278 3.967 0 40 GHAB CC(C)O[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@H]21 253376503 UDCFLSZANCKOQT-OYSTVDSJSA-N 382.497 3.657 0 40 GHAB NC[C@H]1CC[C@H](C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCCCC2)CC1 257291528 QHJMFIMYDAPYPO-CUWPLCDZSA-N 375.532 3.624 0 40 GHAB C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1)c1cccs1 257330265 XNQGIJNWUJOFKG-ANFGNCAPSA-N 395.528 3.913 0 40 GHAB NC(=O)C[C@]1(COc2ccccc2)CCCN(C(=O)c2ccccc2Cl)C1 257336528 YOVUSACOYDMVMJ-OAQYLSRUSA-N 386.879 3.517 0 40 GHAB Cc1occc1C(=O)N1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306124873 CBDWKLQWONMMDS-GOSISDBHSA-N 387.443 3.713 0 40 GHAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)Nc2cccc(C)c2)c2ccccc12 408565484 CBJJENIDYFYTRD-UHFFFAOYSA-N 391.471 3.640 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cc1Cl 408625756 FMAIUUSARBUKOY-UHFFFAOYSA-N 392.864 3.637 0 40 GHAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccccc1OC 408645311 JXYFSTUZAFRNKI-UHFFFAOYSA-N 398.459 3.548 0 40 GHAB COc1cc2c(cc1/C=C1\SC(=O)N(CCOc3ccccc3)C1=O)OCO2 409053203 YOHVRNRUYLDPID-ZDLGFXPLSA-N 399.424 3.539 0 40 GHAB CC(C)c1ccc2c(c1)[C@]1(CCO2)C[C@H]1C(=O)N[C@@H](C)c1nnc2ccccn12 583619696 JWZGQDYARRVQCN-WIRVKHDMSA-N 390.487 3.770 0 40 GHAB COc1ccc2onc(CC(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)c2c1 584579367 LQPQCTXETPHRDU-INIZCTEOSA-N 382.382 3.960 0 40 GHAB CC(=O)N1C[C@@H](COCC2CC2)C2(CCN(Cc3ccc(C)s3)CC2)C1 585103012 KXKUWWGNCDYQCC-IBGZPJMESA-N 376.566 3.544 0 40 GHAB O=C(C[C@@]12CCCC[C@H]1C2(F)F)Nc1cc(F)c(N2CCOCC2)cc1F 614805368 IPHGZKDUMKSKKM-AEFFLSMTSA-N 386.389 3.956 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)c1ncco1)N1CCN(c2ccc(F)cc2)CC1 654748524 FVNWADHINDGHFB-FQEVSTJZSA-N 394.450 3.629 0 40 GHAB N[C@H](C(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F)[C@@H]1CCCO1 685938864 DOGITAQWGMFSER-RANZSIQMSA-N 384.442 3.744 0 40 GHAB C[C@H](C(=O)N1CCC[C@H]1COc1ccc(F)cc1)n1ccc(C(F)(F)F)n1 1179319091 JCWYWCJUBZOVIJ-OCCSQVGLSA-N 385.361 3.672 0 40 GHAB CCC[C@H](CNC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C)OCC 1233698844 JMCOHDOFLGDRJD-VNYTWHDVSA-N 375.557 3.885 0 40 GHAB CC1(C)CC=C(C(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 1608062752 WLSMUCZUVDAPSL-UHFFFAOYSA-N 375.412 3.733 0 40 GHAB Cc1ccccc1CN1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615124286 WHLITEKXCIBFST-QHCPKHFHSA-N 382.479 3.922 0 40 GHAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 1775968426 NKTIHUAXOLPVKG-CYBMUJFWSA-N 393.262 3.629 0 40 GHAB COCCOC(=O)N1CCC([C@H]2CCCCN2Cc2cccc(F)c2)CC1 2056226556 URXAXWIDCJIYFI-HXUWFJFHSA-N 378.488 3.675 0 40 GHAB COc1ccc(CC(=O)O[C@@H](C)C(=O)c2ccccc2)cc1Br 644541 QBRXPTPILFXENE-LBPRGKRZSA-N 377.234 3.815 0 40 GHAB COc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)CCc2ccccc2)cc1 866241 KSDWOUPLHDAELJ-IBGZPJMESA-N 392.377 3.624 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 869900 SLXZNHFNHQORPA-UHFFFAOYSA-N 388.880 3.875 0 40 GHAB CCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)Nc2nc(-c3ccccc3)nn21 956238 ZHRVGGIJJKENJX-IBGZPJMESA-N 390.443 3.806 0 40 GHAB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)SC2=S)c1 1255235 GAGKMKXHFZVMHV-SXGWCWSVSA-N 399.449 3.562 0 40 GHAB CC(C)(C)c1ccc(CS(=O)(=O)CCCS(=O)(=O)c2ccccc2)cc1 1396730 ADAHRGIJJKYUML-UHFFFAOYSA-N 394.558 3.763 0 40 GHAB COc1cc(/C(=C/c2ccccc2N)C(=O)O)cc(Br)c1OC 1666632 XMHSSYYKBDBYIO-GHXNOFRVSA-N 378.222 3.674 0 40 GHAB O=C(NCc1ccccc1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 2645329 HHWCEZOPNJDMNX-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB CCCCOC(=O)c1ccc(N[C@@H](NC(C)=O)C(Cl)(Cl)Cl)cc1 2682387 JPYIYVUEKGBZLQ-CQSZACIVSA-N 381.687 3.888 0 40 GHAB O=c1/c(=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2nc(-c3ccco3)nn12 2703372 XZYWQRQVIDDMRX-YBEGLDIGSA-N 395.827 3.872 0 40 GHAB CCc1ccc(OCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 3257251 REKGQTZCRMYFLQ-UHFFFAOYSA-N 383.231 3.512 0 40 GHAB O=C1OC(c2cccs2)=N/C1=C\c1ccccc1I 3338320 HQVCCKYGESONSE-FLIBITNWSA-N 381.194 3.697 0 40 GHAB CC(=O)c1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 3434564 XIIPXADNEPFFEL-UHFFFAOYSA-N 380.227 3.920 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3608171 HZQPWJHXYHRFKC-UHFFFAOYSA-N 398.406 3.742 0 40 GHAB Cc1ccc(C)c(CN2C(=O)N(c3cc(C)ccc3C)[C@H]3CS(=O)(=O)C[C@H]32)c1 4484225 NNFRPDXKFJGFRU-RTWAWAEBSA-N 398.528 3.528 0 40 GHAB CCc1nc2sc([C@@H](c3ccco3)N3CCc4ccccc4C3)c(O)n2n1 4585116 GQBZUBNNONTGDU-QGZVFWFLSA-N 380.473 3.800 0 40 GHAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1Cl 4694762 LXQBKXTVRGSZJI-WWNSAXIVSA-N 383.853 3.727 0 40 GHAB CC(C)CCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 4734558 UCSILHNTRJXXKW-HSZRJFAPSA-N 389.499 3.886 0 40 GHAB CCCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccncc1 4860976 NLYTZCSZCCYKPU-HNNXBMFYSA-N 393.516 3.820 0 40 GHAB CCOC(=O)c1cnc2c(C(=O)O)cccc2c1Nc1cccc(C(=O)O)c1 5009315 YZEXQRZBQZHBIG-UHFFFAOYSA-N 380.356 3.552 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-n1cccc1 5242439 DEWOWVWKQJANSH-UHFFFAOYSA-N 393.472 3.944 0 40 GHAB Cc1c(C)c2cc(Cl)c(O[C@@H](C)C(=O)NCc3ccncc3)cc2oc1=O 5245769 RTHQIKVNACUKEJ-ZDUSSCGKSA-N 386.835 3.542 0 40 GHAB O=c1[nH]c(-c2ccccc2)nn1-c1ccc(Br)cc1Br 5685000 XZPYNEVOOICIET-UHFFFAOYSA-N 395.054 3.753 0 40 GHAB CCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 6600863 LOQOGMNOCJHEGJ-UHFFFAOYSA-N 396.512 3.970 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(CCc2ccccc2)C1 6626612 RRJGZLHNNFFPIX-HNNXBMFYSA-N 376.378 3.735 0 40 GHAB CCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(C)cc1 6721094 XNJAQAHXKITDBS-ROUUACIJSA-N 393.516 3.539 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 6974921 SJLLDKOKTWUSQN-OAQYLSRUSA-N 395.846 3.780 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccn1 7060776 NAFVQRUIHRKKJQ-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB O=C(CN1CCc2sccc2[C@@H]1C1CC1)N1CCN(c2ccccc2F)CC1 7255669 NZKACKSGISITKF-QFIPXVFZSA-N 399.535 3.545 0 40 GHAB Cc1ccc(-c2csc3ncn(CC(=O)N(C)Cc4ccco4)c(=O)c23)s1 7671959 YXJJSZSDCNGUCW-UHFFFAOYSA-N 399.497 3.747 0 40 GHAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3ccc(F)cc3F)ccc21 7721861 WZYDIKHPQVCMLL-UHFFFAOYSA-N 397.468 3.652 0 40 GHAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C(C(=O)OCC)=C(C)N2 7990968 WGIKLMKMUFLDJJ-ZDUSSCGKSA-N 391.518 3.728 0 40 GHAB COc1ccc(C[C@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1 8115190 RYMJTZONXDRWTJ-QGZVFWFLSA-N 375.421 3.650 0 40 GHAB CC1CCN(c2ccc(NC(=O)CSc3nnc(C4CC4)n3C)cc2)CC1 8159913 FEGBTIUAZTXYRI-UHFFFAOYSA-N 385.537 3.660 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CCC(=O)c1ccc(F)cc1 8285287 CDPRLVGJQIPJBT-UHFFFAOYSA-N 376.815 3.539 0 40 GHAB C[C@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1ccc(F)cc1 8313632 RRNBOFZQJWUROL-NSHDSACASA-N 392.481 3.852 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 8714850 HTRKOYBJNFVRKV-YPMHNXCESA-N 376.316 3.705 0 40 GHAB Cc1noc(C)c1C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3cccnc3)ncc21 12236746 KFOPSHZDLSXIBT-KRWDZBQOSA-N 377.448 3.587 0 40 GHAB CCCS(=O)(=O)Nc1cccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 12536166 PJPGGHTWYBMJTE-GFCCVEGCSA-N 393.534 3.672 0 40 GHAB CC(C)n1ncc2cc(NC(=O)/C=C/c3ccc4c(c3)OCCCO4)cnc21 12781847 GINPKTNFKIHXLE-FNORWQNLSA-N 378.432 3.825 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)cc2)n1 12895136 LCZVJQVYXSWQOQ-UHFFFAOYSA-N 388.471 3.977 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)Cn1c(=O)oc2cc(Cl)ccc21 12944570 IXZFBBDFFJSYHW-UHFFFAOYSA-N 382.851 3.582 0 40 GHAB CCOc1ccc(-c2nnc(SCC(=O)Nc3nccs3)n2CC)cc1 14086304 MXURCFZHJCXQCE-UHFFFAOYSA-N 389.506 3.551 0 40 GHAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1 14237149 MWMBKEBREZKUEC-KDOFPFPSSA-N 394.924 3.520 0 40 GHAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1csc(-c2ccsc2)n1 14245122 HYAJFCNCZALWBB-LJQANCHMSA-N 397.481 3.601 0 40 GHAB COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCCC[C@H]2C)cc1 15350781 JXEHPRCMIGEALE-MRXNPFEDSA-N 381.476 3.760 0 40 GHAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C 15922120 DTERDLBWLSATAT-IBGZPJMESA-N 384.524 3.755 0 40 GHAB CC(=O)N1CCC(c2ncc3c(n2)CCN(CC[C@H](C)c2ccccc2)C3)CC1 19455726 AIHULRSYFJVMNQ-SFHVURJKSA-N 392.547 3.754 0 40 GHAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2c[nH]nc2-c2ccccc2)cc1 19662957 JGNZYSIETYJGCI-QFIPXVFZSA-N 399.454 3.596 0 40 GHAB CC(C)(C(=O)NCCc1cc(Cl)c2c(c1)OCCO2)c1cccc(F)c1 19718518 RPOGWOLJNINMEZ-UHFFFAOYSA-N 377.843 3.887 0 40 GHAB CCN(CC(=O)N[C@H](C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 20014004 KXNCFFFEQXJDCC-OAHLLOKOSA-N 394.924 3.536 0 40 GHAB O=C(NCCC1=CCCCC1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20461161 SZGSLIXYAKRBOV-UHFFFAOYSA-N 390.549 3.623 0 40 GHAB C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)N1CCCCCC1 22034886 ZAHZWDHKFOLJFD-MRVPVSSYSA-N 394.686 3.572 0 40 GHAB COc1ccc([C@H](CNCc2ccc(-n3ccnc3)cc2)N2CCCC2)cc1 22799068 MEOCWXCQZFTLKL-QHCPKHFHSA-N 376.504 3.808 0 40 GHAB COC(=O)c1cn(CC(=O)Nc2nc3ccc(OC)cc3s2)c2ccccc12 26359492 SELQNWXLOMVVHA-UHFFFAOYSA-N 395.440 3.685 0 40 GHAB O=C(NCC(F)(F)F)c1ccccc1SCC(=O)N1CCc2ccccc21 29974621 SWVCJCUULCUVKP-UHFFFAOYSA-N 394.418 3.660 0 40 GHAB COc1ccc(Cl)cc1C(=O)N(C)CC(=O)Nc1ccccc1SC 31546275 KHSCGMQPMQEHPX-UHFFFAOYSA-N 378.881 3.781 0 40 GHAB CCOC(=O)COc1cccc(NC(=O)c2ccccc2Br)c1 32035087 JSONHIOOYPWTNT-UHFFFAOYSA-N 378.222 3.643 0 40 GHAB C[C@H](NC(=O)COC(=O)c1csc(-c2ccsc2)n1)c1cccs1 32776555 ZXHYTTUYRODEEZ-JTQLQIEISA-N 378.500 3.967 0 40 GHAB CCN1CCC[C@H]1CNC(=S)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 32909093 OWEWYUVKUZQWHC-RXVVDRJESA-N 393.560 3.601 0 40 GHAB O=C(Nc1ccc(-n2cncn2)nc1)c1nc(-c2ccccc2)n2c1CCCCC2 33008248 QKCSKRACWGDNNE-UHFFFAOYSA-N 399.458 3.505 0 40 GHAB O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)N[C@H]1CCCc2ccccc21 36398846 LIEJHWVAFAYFQV-KNQAVFIVSA-N 391.515 3.531 0 40 GHAB C[C@@H](NC(=O)C1CCN(C(=O)NCc2ccco2)CC1)c1cccc(Cl)c1 40130151 YEPBOENABPYMSK-CQSZACIVSA-N 389.883 3.732 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](Cc1cc2cc(Br)ccc2o1)C(=O)O 44319217 OPJKMLLLVWMTCH-LBPRGKRZSA-N 384.226 3.716 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCc3ccccc32)cc1 44900528 WYYZBGGHMBHOLH-UHFFFAOYSA-N 386.451 3.908 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1c(C)nn(CC(C)C)c1C 48264537 ZBBDEBYVIBCMMN-UHFFFAOYSA-N 385.508 3.518 0 40 GHAB O=C(NOCc1ccccc1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49581377 ZUAUPMTVGBRBNY-FQEVSTJZSA-N 388.467 3.940 0 40 GHAB Cc1cccc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)c1 57866621 PABWSNGQHLKKTA-UHFFFAOYSA-N 380.517 3.764 0 40 GHAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1ccc3c(c1)OCO3)CO2 58090629 MRKMBOCKWLBZDT-UHFFFAOYSA-N 391.423 3.671 0 40 GHAB biogenic C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 58180893 HNLNESOSGQSFHC-VIFPVBQESA-N 393.230 3.734 0 40 GHAB CC(C)CC(=O)N1CCC(NC(=O)c2cc(F)c(Cl)cc2Cl)CC1 58183896 RYIDSWOPGBVISE-UHFFFAOYSA-N 375.271 3.899 0 40 GHAB CN(C)Cc1ccc(C(=O)NCc2cccc(COCc3ccco3)c2)cc1 58295806 UETUNYMHLFIKAD-UHFFFAOYSA-N 378.472 3.988 0 40 GHAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@@H]2CCCO2)cc1 61997253 SRGRIYOMQRROLB-KRWDZBQOSA-N 380.400 3.811 0 40 GHAB CCCCCCOc1ccc(/C=C/C(=O)NCCCC(=O)OC)cc1OC 62714595 VYSVTXQOLKRPAH-ACCUITESSA-N 377.481 3.737 0 40 GHAB O=C1C[C@@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)Nc3ccccc3Cl)cc21 64959267 YNMFLYLYGQBZFZ-NSHDSACASA-N 382.803 3.786 0 40 GHAB Cc1ccnc(NC(=O)CN(C)c2ncnc3sc4c(c23)CC[C@H](C)C4)c1 65613649 FPNCXBHEYPOOOL-LBPRGKRZSA-N 381.505 3.594 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1 66803779 ZPTFHQVIQQLLHM-UHFFFAOYSA-N 376.460 3.861 0 40 GHAB C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 72071439 AWPRGSYIAXQLGP-NSHDSACASA-N 393.814 3.935 0 40 GHAB Oc1cc(C2CCN(Cc3cc(F)cc(F)c3)CC2)nc(-c2ccncc2)n1 72392718 PGARYFJWOLHLNQ-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB CC(C)n1cc(CCC(=O)Nc2cccc(-c3nnn(C)n3)c2)c2ccccc21 79482315 QBVMOIHHPGSHKJ-UHFFFAOYSA-N 388.475 3.984 0 40 GHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2cccc(F)c2)NC(=S)N1 85409716 KDMHSBXXCCBJDC-MRXNPFEDSA-N 375.856 3.911 0 40 GHAB COc1ccc(Br)c(C(=O)NC[C@@](C)(OC)c2ccccc2F)c1 96123521 WENCZBJNEAIDNZ-GOSISDBHSA-N 396.256 3.888 0 40 GHAB CCc1ccc(NC(=O)N2C[C@H]3CC[C@@]4(N=C(C)N(CC(C)C)C4=O)[C@H]3C2)cc1 96261543 JTUAPMBJAGKYPG-QMHWCDLVSA-N 396.535 3.778 0 40 GHAB COc1cc(F)c(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1OC 97014754 NUWUFOBIWKBLCC-UHFFFAOYSA-N 381.407 3.770 0 40 GHAB COc1cccc(C(=O)NC2CCN(c3cc(-c4cccs4)n[nH]3)CC2)c1 98212820 RNWNFTWYGIAXOV-UHFFFAOYSA-N 382.489 3.546 0 40 GHAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cnn(Cc2ccc(Cl)cc2Cl)c1 101569893 CIGHPEZOBMIUNR-NXKWAJLKSA-N 388.254 3.550 0 40 GHAB C[C@@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(-c2ccccc2)cc1 102275044 RWOHGLUVHBKSDP-HBGVWJBISA-N 390.483 3.706 0 40 GHAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)/C=C/c1ccc2c(c1)OCO2 103999959 VUIXTBRWDAFYBJ-QEMYPZFLSA-N 376.456 3.571 0 40 GHAB CCOC(=O)Cc1csc(Nc2ccc(I)cc2)n1 106103370 AAHVRAOYAZMQDK-UHFFFAOYSA-N 388.230 3.597 0 40 GHAB Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cccc1N(C)S(C)(=O)=O 222427872 UHEVCGODSKIAMI-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 222556202 XOXHGMORRGUYLK-QGZVFWFLSA-N 386.517 3.724 0 40 GHAB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 223131538 QXWOIXBGORRHPD-QGZVFWFLSA-N 384.495 3.743 0 40 GHAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1 223558275 DRHQFFHBLCTHQC-HXUWFJFHSA-N 396.531 3.750 0 40 GHAB Cc1cc(C(=O)NCC(C)C)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224214112 APAYAEPGBUPWRO-UHFFFAOYSA-N 394.924 3.859 0 40 GHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 224540080 BYSQYXXMJZQZAK-UHFFFAOYSA-N 388.470 3.810 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(CN2CCOCC2)cc1 224572972 CRNFKBUVOJPEEI-QFIPXVFZSA-N 396.531 3.609 0 40 GHAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccc(OC)cc1 224596762 FLRQWEGMJAJVSR-FQEVSTJZSA-N 385.460 3.582 0 40 GHAB CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224964473 PCXVFTHYYUTZJY-UHFFFAOYSA-N 397.880 3.659 0 40 GHAB C[C@H]1CCCCN1c1cc(N2CCCC2)nc(NC(=S)NC(C)(C)C)n1 225894044 KFKJGMTVPBORIP-AWEZNQCLSA-N 376.574 3.541 0 40 GHAB Cc1cc(C)nc(Nc2ccc([C@H]3CN(CCc4ccccc4)CCO3)nc2)n1 257339443 ZBTLXSPUGAAMEG-JOCHJYFZSA-N 389.503 3.848 0 40 GHAB COc1ccc(CN2CC[C@]3(C2)CN(Cc2ccccn2)c2cccnc23)cc1 306124717 BXODMCHKGILMOF-DEOSSOPVSA-N 386.499 3.649 0 40 GHAB Cc1cc(C)cc(OCC(=O)N2N=C3CCCCC[C@@H]3[C@@]2(O)C(F)(F)F)c1 408949747 FZBBYHNEKBPJCP-MAUKXSAKSA-N 384.398 3.712 0 40 GHAB Cc1cc(C(=O)N2CCN(c3ncc(F)cn3)CC2)sc1-c1ccccc1 515497147 UYHSODFXBVFXFT-UHFFFAOYSA-N 382.464 3.615 0 40 GHAB CC(C)(C)c1ccc(C2(NC(=O)c3cn(C[C@H]4CCOC4)nn3)CCCC2)cc1 528895713 ZXBANJBQVZXDHN-QGZVFWFLSA-N 396.535 3.811 0 40 GHAB CN(Cc1ccccc1NC(=O)N[C@@]12C[C@@H]1COC2(C)C)C(=O)c1cccs1 528987397 BZKIDAUNZFKHBD-VFNWGFHPSA-N 399.516 3.709 0 40 GHAB Cc1cc(-n2nc3cc(N)c(Cl)cc3n2)c(C)cc1I 575415010 HAYNHLQYTSHDBW-UHFFFAOYSA-N 398.635 3.878 0 40 GHAB Cc1cc(C)n([C@H](CNS(=O)(=O)/C=C/c2ccccc2)c2cccs2)n1 575610415 MHMWRSLIVDIIFI-NCUBBLFSSA-N 387.530 3.741 0 40 GHAB CCOc1c(Cl)cc(NC(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1Cl 584225061 YZLAZJMHIPEOCH-DIFFPNOSSA-N 389.279 3.804 0 40 GHAB CN(C)C(=O)c1cnc(C2(C)CCN(Cc3ccc4cc[nH]c4c3)CC2)s1 585182563 RVURDCQWOWLYGX-UHFFFAOYSA-N 382.533 3.880 0 40 GHAB CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2cn3c(n2)COCC3)cc1 625528383 LMYJDTKRCFVKLF-JOCHJYFZSA-N 390.487 3.622 0 40 GHAB CSc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1[C@@H]1CCNC1 655476318 ZPOJWGMXKKBIPO-IUODEOHRSA-N 383.355 3.775 0 40 GHAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CCO[C@@](C)(C2CC2)C1 664424343 AQVUXKKHPSJBPK-JOCHJYFZSA-N 382.508 3.706 0 40 GHAB C[C@H](C(=O)N[C@@H](CC(=O)O)Cc1cc(F)c(F)cc1F)c1ccccc1F 666370077 JHQDSXKTUZJGFG-CMPLNLGQSA-N 383.341 3.549 0 40 GHAB Cc1nc(-c2ccc(C(=O)N3CCNC(=O)[C@@H]3c3ccccc3F)cc2)cs1 685046938 FFUMXFYPPJWEBS-IBGZPJMESA-N 395.459 3.571 0 40 GHAB O=C1OC2=C(C1(c1ccccc1)c1ccccc1)S(=O)(=O)Oc1ccccc12 1616030499 BFBIWWZRMRISNG-UHFFFAOYSA-N 390.416 3.621 0 40 GHAB Oc1cc(C2CC2)nc(N2CCN(c3nc4ccc(Cl)cc4s3)CC2)n1 2298094977 DSIRZEGBTKFQTD-UHFFFAOYSA-N 387.896 3.649 0 40 GHAB Cc1ccc(-n2nnnc2-c2cnc(N3CCCC3)nc2-c2cccs2)cc1 721466 ZMFJUQQDHFUMJR-UHFFFAOYSA-N 389.488 3.756 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccc(O)cc2)n1C 899363 DAJFUNVMFBHLIO-AWEZNQCLSA-N 382.489 3.924 0 40 GHAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCCCCC2)cc1 947481 KGPWGAKMGKBZQY-HEHNFIMWSA-N 378.472 3.869 0 40 GHAB biogenic CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)ccc2OCC)C1=O 1006170 UOJRUXQWGRWFQC-RSYJBZMQSA-N 383.853 3.727 0 40 GHAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NCc1ccccc1 1364559 KOJLCXXPXQBNIC-UHFFFAOYSA-N 378.501 3.612 0 40 GHAB O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)N1CCOCC1 1447956 QXHBGDGVRCGPBA-UHFFFAOYSA-N 385.803 3.944 0 40 GHAB biogenic O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1ccc(C(F)(F)F)cc1 3226700 ZXXJQTRFTWBKCX-UHFFFAOYSA-N 391.301 3.607 0 40 GHAB CNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C(C)C 3250702 KZSCDRQEJHLOME-UHFFFAOYSA-N 396.516 3.904 0 40 GHAB CN(CC(=O)NCCc1ccc(Cl)cc1)Cc1ccc(Br)cc1 3402754 MYBOOOUKRQPVRE-UHFFFAOYSA-N 395.728 3.893 0 40 GHAB C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl 3436906 ULRPFPLAIVDKQA-VIFPVBQESA-N 382.199 3.906 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nc(-c4ccncc4)n[nH]3)c2C)no1 3495884 WUQULXRJLJLJFP-UHFFFAOYSA-N 394.460 3.546 0 40 GHAB C[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 3504123 SDCZYPBCNDUBMB-NSHDSACASA-N 393.394 3.800 0 40 GHAB COc1ccc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 3551892 NRKZGFZXUPRNHJ-UHFFFAOYSA-N 378.394 3.605 0 40 GHAB O=C(O)c1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 3888098 WQKYISBKIBZLOH-UHFFFAOYSA-N 393.770 3.536 0 40 GHAB CCC(=O)N1N=C(c2cccc(NS(=O)(=O)CC)c2)C[C@@H]1c1ccccc1 4148356 GTCKMYYFMKLSHY-LJQANCHMSA-N 385.489 3.536 0 40 GHAB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3c(F)cccc3F)co2)n1 4377258 JVRAURCDLIBCDS-UHFFFAOYSA-N 390.367 3.528 0 40 GHAB COC(=O)c1ccc(C(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 4463164 BVPNHGUWXVWIER-CQSZACIVSA-N 399.468 3.548 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccco1 4555110 OZHSKZAQMYCYBR-QHCPKHFHSA-N 375.424 3.720 0 40 GHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(F)cc2)n2ncnc2N1 4704182 NKRRMZVAYIDRHI-LJQANCHMSA-N 377.423 3.962 0 40 GHAB CCCn1c(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)nc2ccccc21 4900217 OMSXSJKQFCXIQX-UHFFFAOYSA-N 375.432 3.568 0 40 GHAB CCCN1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCCC3)CC1 4980624 VQJBQLBRLOZCLH-UHFFFAOYSA-N 393.510 3.946 0 40 GHAB O=C(Cc1ccccc1)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1F 5000944 FPDYGORWBQZCJT-UHFFFAOYSA-N 390.414 3.933 0 40 GHAB C[C@H]1Cc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2N1S(C)(=O)=O 5278479 GRHQYYJGVSMJKB-NSHDSACASA-N 398.406 3.668 0 40 GHAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(Cl)c(Cl)c1 5399600 JAXFSNPCSGACGY-UHFFFAOYSA-N 392.217 3.995 0 40 GHAB CCn1c2ccccc2c2nnc(SCC(=O)c3cc(C)n(C)c3C)nc21 5490606 LZIVVKCUZASVDP-UHFFFAOYSA-N 379.489 3.930 0 40 GHAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 5500925 AWBVFLCBGJQJMN-CHWSQXEVSA-N 391.899 3.914 0 40 GHAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 5778506 SYVGAJWHGROYRF-XDNAFOTISA-N 394.452 3.780 0 40 GHAB O=C(O)CC[n+]1c(SCCOc2ccc(Cl)cc2)[nH]c2ccccc21 6112547 SRDUOESADMQDHQ-UHFFFAOYSA-O 377.873 3.755 0 40 GHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 6441726 IBKLZZNLJQNOEG-UHFFFAOYSA-N 384.413 3.808 0 40 GHAB CN1CCN(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 6650098 AXDAQHDWYJYVOW-UHFFFAOYSA-N 375.925 3.525 0 40 GHAB CCCOC(=O)c1cc(NC(=O)COC(=O)c2ccccc2F)ccc1Cl 6757385 AYWQZQBPKZYXTB-UHFFFAOYSA-N 393.798 3.841 0 40 GHAB Cn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1ccc(F)cc1 6912924 XVSZELGSTRLWQS-UHFFFAOYSA-N 378.379 3.630 0 40 GHAB C[C@@H]1Cc2cc(-c3csc(N4CCCCC4)n3)ccc2N1S(C)(=O)=O 7273816 QEDGKXDYAMGSTJ-CYBMUJFWSA-N 377.535 3.511 0 40 GHAB Cc1cccc(Oc2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2)c1 7725275 IBOPOKWGUFXYKN-UHFFFAOYSA-N 387.395 3.569 0 40 GHAB CN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(C(C)(C)C)cc1 7791218 ANKCHCAKWDZAST-UHFFFAOYSA-N 393.531 3.947 0 40 GHAB CCc1nn2c(=O)cc(CSc3nnc(-c4cc(C)cc(C)c4)o3)nc2s1 8328304 NBNJFPKYKBCVFX-UHFFFAOYSA-N 399.501 3.673 0 40 GHAB COCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O 8371234 ZSKZPKIGNRCZNX-MHWRWJLKSA-N 388.401 3.846 0 40 GHAB O=C(c1ccccc1Cl)N(Cc1ccccc1Cl)N1C(=O)CCC1=O 8475163 SYXAJZKYPMBMGJ-UHFFFAOYSA-N 377.227 3.700 0 40 GHAB CCOc1ccccc1-n1c(S[C@H]2CCC(=O)C2)nnc1-c1cccnc1 8707335 SELBQMMDGQYENL-INIZCTEOSA-N 380.473 3.942 0 40 GHAB CC(C)CCc1c(O)nc(SCC(=O)Nc2ccc(C(C)C)cc2)[nH]c1=O 8964388 QPFMMNJGGJCUGH-UHFFFAOYSA-N 389.521 3.918 0 40 GHAB O=C(NCCCc1ccccc1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 9053890 PUPOFLSZZQGHDU-HXUWFJFHSA-N 389.499 3.769 0 40 GHAB Cc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccccc3)s2)CC1=O 9199216 YEWXWCBEWOOJBI-OAHLLOKOSA-N 378.457 3.619 0 40 GHAB CCOc1cccc2cc([C@@H](C)NC(=O)CNC(=O)c3ccc(C)cc3)oc12 9254526 AXXQOMQYSQAWAM-OAHLLOKOSA-N 380.444 3.747 0 40 GHAB CC(C)[C@H]1C[C@](CC(=O)NCCN(C)C)(Cc2ccccc2Cl)CCO1 9530757 STCBWTICJFUEFQ-TZIWHRDSSA-N 380.960 3.772 0 40 GHAB O=C(NCCc1ccc2c(c1)OCCO2)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 10053607 IUPDAQUTNGJXRP-IRXDYDNUSA-N 391.389 3.939 0 40 GHAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccccc1Cl 10119831 SMNAGEFHGHAMHF-UHFFFAOYSA-N 385.836 3.767 0 40 GHAB O=C(Cc1ccccc1Cl)N1CCC[C@H](c2noc(-c3ccccn3)n2)C1 12291977 BSTAROUMYUTMIT-HNNXBMFYSA-N 382.851 3.734 0 40 GHAB O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1CCCN1CCOCC1 12608795 ABXICPPDDJEODU-HXUWFJFHSA-N 385.895 3.629 0 40 GHAB Cc1ccc(N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C(F)(F)F 12610135 FSYNBZYCRVPOKM-JTQLQIEISA-N 378.354 3.623 0 40 GHAB O=S(=O)(NCc1nc(-c2ccccc2Cl)no1)c1ccc(Cl)cc1 12653805 SQUQPURVUUERGD-UHFFFAOYSA-N 384.244 3.522 0 40 GHAB C[C@H](NC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1)c1ccc(F)cc1 12767798 TZOSMAOSPOFOHK-NSHDSACASA-N 390.871 3.904 0 40 GHAB CNC(=O)c1ccc(NC(=O)CN2CCC(CCc3ccc(C)cc3)CC2)cc1 12809298 NUXGQNOXKHGXEU-UHFFFAOYSA-N 393.531 3.638 0 40 GHAB O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(OCC(F)(F)F)cc1 12921530 GMYBTYSSBIGKLT-UHFFFAOYSA-N 381.310 3.842 0 40 GHAB CC(=O)N[C@H](C(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1)C(C)C 12925708 NVSQDNCHWIQZBR-INIZCTEOSA-N 379.913 3.795 0 40 GHAB O=C(CCn1cnc2sccc2c1=O)NC(c1ccccc1)c1ccccc1 13018760 AUISHNOYRJKNIT-UHFFFAOYSA-N 389.480 3.754 0 40 GHAB O=C(C[C@@H]1C(O)=Nc2nc(SCc3ccccc3)nn21)Nc1ccccc1 13735881 HPOODQGRBZPAOE-OAHLLOKOSA-N 379.445 3.742 0 40 GHAB CSc1cccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 13845194 PEYQSZPZWVXJJX-LBPRGKRZSA-N 398.937 3.855 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 14396211 MSBSDKYFVBHIRO-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C)nc2ccccc12 14595283 IKPRRBPBCAJDBN-UHFFFAOYSA-N 380.400 3.599 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 15583519 BCJXQYGFJYUZJN-KRWDZBQOSA-N 392.425 3.640 0 40 GHAB COc1ccc(CN(C)C(=O)c2ccc(OC)c(Br)c2)c(OC)c1 17919896 SFIHUOYYMHWGPB-UHFFFAOYSA-N 394.265 3.747 0 40 GHAB Cc1cc(NC(=O)COc2ccc(Br)cc2)n(-c2ccccc2)n1 18192829 IAWXRXBOCDFONH-UHFFFAOYSA-N 386.249 3.961 0 40 GHAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cc2c([nH]c1=O)CCC2 19349675 NNBGAIQBRRSPEK-UHFFFAOYSA-N 385.876 3.817 0 40 GHAB CCc1nn2c(O)cc(-c3ccccn3)nc2c1-c1ccc(OC)c(OC)c1 19521408 PBPNYENPXGDFBG-UHFFFAOYSA-N 376.416 3.744 0 40 GHAB COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)C3CCCC3)n2)cc1 19557977 PCFICVBSXPAZHM-UHFFFAOYSA-N 390.487 3.927 0 40 GHAB CC[C@H](C)NC(=O)CSc1nnc2c3ccccc3nc(-c3ccccc3)n12 19625769 POPLGWJNROYDAI-AWEZNQCLSA-N 391.500 3.951 0 40 GHAB CCn1c(C)nc2cc(NC(=O)C[C@H](c3ccccc3)N3CCOCC3)ccc21 19656394 PAEYYUUVZSDBPI-JOCHJYFZSA-N 392.503 3.767 0 40 GHAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 19936576 LISAQNXUVYXOMW-UHFFFAOYSA-N 396.424 3.725 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCC(C)C)ccc32)cc1 20889237 MRWYMOUCKDSDAT-UHFFFAOYSA-N 386.517 3.522 0 40 GHAB c1ccc2oc(CSc3nc(CN4CCOCC4)nc4ccccc34)nc2c1 22358488 ZFQTVKKTFSQVQC-UHFFFAOYSA-N 392.484 3.896 0 40 GHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc(NC(=O)C2CC2)s1 22416274 IMGGHGAYVBIVLE-UHFFFAOYSA-N 393.848 3.878 0 40 GHAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1nc(-c2cccs2)cs1 22961645 FSCAEEOFKNZXET-UHFFFAOYSA-N 385.392 3.691 0 40 GHAB O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCO[C@H](c2ccccc2)C1 23898161 DRFLOIUPSZYRCA-FQEVSTJZSA-N 381.863 3.799 0 40 GHAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 28251249 NAWIKGDYXLBKPT-QGZVFWFLSA-N 399.393 3.893 0 40 GHAB O=C(CS(=O)(=O)CCCc1ccccc1)N1CCCSc2ccccc21 31743340 IXCOGNJKKDRFOV-UHFFFAOYSA-N 389.542 3.563 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 32738077 QXQQRCZXEFPFNX-CYBMUJFWSA-N 395.434 3.890 0 40 GHAB C[C@H](NC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(-n2cncn2)cc1 32738417 QECQLIXZEFBHFA-KRWDZBQOSA-N 396.450 3.989 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCN(C(=O)c3ccccc3Cl)CC2)c(C)c1 35310683 ZUCSYUWBAIASRX-UHFFFAOYSA-N 399.922 3.662 0 40 GHAB CSc1ccc(N2C[C@H](c3nc4ccccc4c4nc(C)nn34)CC2=O)cc1 36398046 IIPFAFIWDBEHCZ-CQSZACIVSA-N 389.484 3.828 0 40 GHAB CCOC(=O)CN1COc2c(c3c(C(=O)OCC)c(C)oc3c3ccccc23)C1 36559449 CDJYTMYKOOYSNW-UHFFFAOYSA-N 397.427 3.786 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 38678064 UWRIKAHTZYGGIG-UHFFFAOYSA-N 392.908 3.614 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)C(C)(C)C)o2)cc1 39750167 GSGWZYMACOOCJA-UHFFFAOYSA-N 394.431 3.982 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3cnoc3C)c2)cc1C 40037652 VLEYUSQGSKYWCI-UHFFFAOYSA-N 385.445 3.653 0 40 GHAB O=C(NCc1cccnc1OC1CCCC1)Nc1ccccc1-n1cccn1 40121017 TVXJGJDMZINVDB-UHFFFAOYSA-N 377.448 3.910 0 40 GHAB COC(=O)c1cc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)ccc1F 40132587 HDQNINDNVFEGLE-UHFFFAOYSA-N 399.397 3.735 0 40 GHAB CC(C)c1ccc(OCCOC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)cc1 40373289 LJAHHMHLAXCJFC-HXUWFJFHSA-N 393.568 3.580 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(C(=O)c2ccco2)CC1 45609561 GZFIUBZGOFDYHG-UHFFFAOYSA-N 395.912 3.831 0 40 GHAB COc1cc(C(C)=O)ccc1OCc1cccc(C(=O)NCc2ccco2)c1 48374242 LONLBOSTWOZEEK-UHFFFAOYSA-N 379.412 4.000 0 40 GHAB Cc1nc2ccc(N[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)cc2s1 57406426 WAWKNAJUDHNDJL-MRXNPFEDSA-N 394.544 3.750 0 40 GHAB CCC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccccc2F)CC1 57669493 AGWJSZNVIISDJV-HXUWFJFHSA-N 386.519 3.981 0 40 GHAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2nc[nH]c(=O)c2c1 58032276 MJQMYZVKXNFMNE-SECBINFHSA-N 378.215 3.636 0 40 GHAB O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2cnn(Cc3ccc(Cl)cc3)c2N1 61717705 CIABPRRVFKFZPF-INIZCTEOSA-N 381.819 3.757 0 40 GHAB COc1cc([C@@H]2C3=C(COC3=O)Nc3c2ccc2c3CCCC2)cc2c1OCO2 66089378 TYHUBYKXPIXYJV-IBGZPJMESA-N 391.423 3.671 0 40 GHAB Cc1noc(CN2CCC3(CC2)C[C@H]3c2nc(-c3cccc(Cl)c3)no2)n1 69668218 ZNGMKMVZSKCYMV-HNNXBMFYSA-N 385.855 3.851 0 40 GHAB CN(CCc1nc(-c2ccc(Cl)cc2)no1)C1CCN(c2ccccn2)CC1 72308294 ZEYAJXZOKSQNHK-UHFFFAOYSA-N 397.910 3.928 0 40 GHAB CSc1cccc(NC(=O)CN2C(=O)[C@H](C(C)C)N=C(O)c3ccccc32)c1 72325888 JRWKUGWDJMMJMC-IBGZPJMESA-N 397.500 3.723 0 40 GHAB biogenic COc1cccc(Oc2nccnc2C2CCN(C(=O)c3coc(C)n3)CC2)c1 72363267 NNKQMGIZECVHEF-UHFFFAOYSA-N 394.431 3.594 0 40 GHAB CS(=O)(=O)c1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1 72405351 JKVXTBBOAFBRHK-OAHLLOKOSA-N 387.486 3.520 0 40 GHAB CCCCN(CC)C(=O)c1c(Cl)ccc(S(=O)(=O)CCOC)c1Cl 78869534 VJWSWJWFHNUSBH-UHFFFAOYSA-N 396.336 3.676 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccccn3)CC2)c2ccccc21 96241951 JBAOBQPOERRYTK-GOSISDBHSA-N 391.515 3.658 0 40 GHAB Cc1cc(C)c(CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c(C)c1 101171761 JUWYYFHKXWWBCN-QZTJIDSGSA-N 382.851 3.759 0 40 GHAB O=C1[C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 102897774 TYPSJEUQZVJDSR-UKRRQHHQSA-N 395.629 3.939 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)c1nnn(Cc2ccccc2)c1-c1ccncc1 206642654 DFIHUFLDAVTCMS-VQIMIIECSA-N 375.476 3.697 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 223025670 GACSZEHPYNKELP-PMACEKPBSA-N 379.485 3.961 0 40 GHAB CN1C(=O)CC[C@H](C(=O)NCCCc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 223282109 RXLBWDSAGHTJJE-PZJWPPBQSA-N 386.442 3.623 0 40 GHAB CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224827384 QBKJFZFGJUXUEO-UHFFFAOYSA-N 387.379 3.692 0 40 GHAB O=C(c1ccc(=NCC2CC2)[nH]c1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 506118688 LSFMGKPSZGJWRZ-UHFFFAOYSA-N 390.462 3.875 0 40 GHAB COc1cc(-c2oc3c(c2CC(=O)O)c(=O)oc2ccccc23)cc(OC)c1O 524731629 FLKOWXYAHDFWFF-UHFFFAOYSA-N 396.351 3.556 0 40 GHAB biogenic COc1ccc(-c2cnc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)n2C)cc1 564120181 IRWRKSCENRZSNT-UHFFFAOYSA-N 390.443 3.697 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@@H](Oc2ccncc2Cl)C1 575611203 CEJQFFYICDUEAT-CSPWOOARSA-N 386.835 3.547 0 40 GHAB COc1c[nH]c(C(=O)N2CCC[C@H]2c2ccc(OC)c3ccccc23)cc1=O 604418769 BBDCTCXDSNYBJN-SFHVURJKSA-N 378.428 3.523 0 40 GHAB CCN(Cc1ccccc1NC(=O)N1CCC([C@H]2CCCCO2)CC1)C(C)=O 665534307 OVKJFTLEZXYPGV-OAQYLSRUSA-N 387.524 3.868 0 40 GHAB NC(=O)c1cc(Cl)ccc1NC(=O)c1cc(-c2c[nH]c3nccc-3c2)ccn1 1566005425 BTVZIHDGCWENSX-UHFFFAOYSA-N 391.818 3.581 0 40 GHAB CC(C)(C)c1ccc(OCC2CCN(Cc3nc4ccccc4[nH]3)CC2)nn1 1775965947 MLEGPLIMXNODFB-UHFFFAOYSA-N 379.508 3.941 0 40 GHAB COc1cccc(CN2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)c1 1888930598 LKXOPGCAKZPERH-UHFFFAOYSA-N 377.488 3.626 0 40 GHAB COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2C)c1 641270 ZIQFSAQRCYGJKS-IBGZPJMESA-N 381.501 3.744 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC(C)C)ccc2Cl)c1C 687804 LOLVBVJLUDHLOJ-UHFFFAOYSA-N 380.897 3.896 0 40 GHAB COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC(C)(C)C)c3n2)c1 884355 LCDTZWSWWILIDI-UHFFFAOYSA-N 392.381 3.952 0 40 GHAB COc1ccc(NC(=O)[C@H](C)n2cnc3sc(C)cc3c2=O)cc1Cl 938168 RECYZNKBVQLKFL-JTQLQIEISA-N 377.853 3.628 0 40 GHAB Cc1cccnc1NC(=O)c1c(O)n(Cc2ccccc2)c2ccccc2c1=O 1248811 SYRHIDNXHCJCFQ-UHFFFAOYSA-N 385.423 3.711 0 40 GHAB COc1ccc(-n2ncc3c(SCC(=O)OC4CCCCC4)ncnc32)cc1 1346560 ZYTJAZLHABVYLS-UHFFFAOYSA-N 398.488 3.792 0 40 GHAB CC(C)CCOC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc3ccccc3nc12 2253391 PPRJPZNDBSKQJT-CQSZACIVSA-N 382.464 3.549 0 40 GHAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NCCc1ccc(F)cc1 2616288 JWRPYQXLWFEQTA-UHFFFAOYSA-N 391.442 3.937 0 40 GHAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)Cc1ccc(OC)c(OC)c1 3230222 UWODJEIOFVBVIH-HNNXBMFYSA-N 385.460 3.942 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c1C 3284183 ZVXGCGUFLIXMHE-UHFFFAOYSA-N 386.452 3.744 0 40 GHAB CN(Cc1cccs1)S(=O)(=O)c1ccc(Br)cc1Cl 3424325 YKGOXLWNHVIBIG-UHFFFAOYSA-N 380.716 3.985 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1 3483627 FRQTUGPWFGFNEF-UHFFFAOYSA-N 378.384 3.636 0 40 GHAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Cl)c(Cl)c1 3640219 ZMNSASKXJIMCIG-CQSZACIVSA-N 385.272 3.817 0 40 GHAB CCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(F)cc21 4193237 GGAWDRTXVAKCGX-UHFFFAOYSA-N 377.412 3.913 0 40 GHAB CC(C)OC(=O)c1cc2cc(Br)cc(Br)c2oc1=O 4263123 ADZPOYZOXYWHEJ-UHFFFAOYSA-N 390.027 3.883 0 40 GHAB CCOc1ccccc1NC(=O)CN1CCC(c2nc3ccccc3[nH]2)CC1 4315089 LYRVQBKEZIZTLC-UHFFFAOYSA-N 378.476 3.780 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3cccs3)nn2)c1 4357793 NKQWBEZYHXVGNG-UHFFFAOYSA-N 384.486 3.894 0 40 GHAB COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc(Cl)c1O 4498616 JDXDJDQDTPKWAC-ZROIWOOFSA-N 380.897 3.787 0 40 GHAB C[C@@H](OC(=O)c1cc2c(s1)CCCC2)C(=O)Nc1ccc2c(c1)OCCO2 4581296 HPTCGBCOQBZNFG-GFCCVEGCSA-N 387.457 3.582 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)c1 4785216 IIKCRGXZXCWMAC-GOSISDBHSA-N 396.468 3.579 0 40 GHAB O=C(COC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)-c1ccccc1C2 5021236 LPCNDETWDRQFQK-HSZRJFAPSA-N 386.403 3.824 0 40 GHAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cccc3ccccc23)C1=O 5077111 RRCIKMCAHBHTHJ-HSZRJFAPSA-N 388.423 3.578 0 40 GHAB COc1ccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1 5099500 OMGMALPDNJLFCY-UHFFFAOYSA-N 382.460 3.648 0 40 GHAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccnn3C3CCCC3)n2)cc1 5865700 OUKIHUXFKJYTDL-UHFFFAOYSA-N 382.493 3.823 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)NCc2ccccc2)c1 6681110 MZMZOGCWWBJTFD-UHFFFAOYSA-N 386.498 3.503 0 40 GHAB COc1ccccc1-c1nnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)o1 6737466 KDHYUZKLDCTRAW-UHFFFAOYSA-N 381.407 3.904 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cccc(OC(F)F)c2)c1C 7550059 VTTVPFFBEBDMNQ-LBPRGKRZSA-N 379.359 3.864 0 40 GHAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1cn2cc(Cl)ccc2n1 7986193 MIHKKNIRCGJUSQ-LLVKDONJSA-N 392.242 3.503 0 40 GHAB CSc1ncc(C(=O)N(C)Cc2ccc3c(c2)OCO3)n1-c1ccccc1 8013358 VJWMFZZQPICOAH-UHFFFAOYSA-N 381.457 3.595 0 40 GHAB COc1cc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(OC)c1OC 8062662 AERCOIDMWQJIMQ-UHFFFAOYSA-N 393.867 3.840 0 40 GHAB COc1ccc(C(=O)Nc2n[nH]c(CSc3nc4ccccc4s3)n2)cc1 8743265 GIUYHXWSSLUIKP-UHFFFAOYSA-N 397.485 3.968 0 40 GHAB O=C1CC[C@H](Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)C1 8750585 XSMAWMCXZCMGTH-KRWDZBQOSA-N 393.468 3.936 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1C 8783032 YTCLMWXEXFJMBV-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1F)c1ccccc1Cl 8810430 NJXBWYHJUAWDEV-UHFFFAOYSA-N 396.871 3.906 0 40 GHAB O=C(Nc1nnc(CCCOc2ccccc2)s1)C(Cl)(Cl)Cl 9227171 QHEBZQIWKIJHHD-UHFFFAOYSA-N 380.684 3.858 0 40 GHAB COc1cc(C(=O)OCC(=O)NCCC2=CCCCC2)ccc1OCC(C)C 9536035 HQNFHUVFRJYEPE-UHFFFAOYSA-N 389.492 3.894 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10261320 PJYGWWNYOCUHHB-IBGZPJMESA-N 391.519 3.714 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)NCc2ccccc2OC(F)F)c1 10287386 FMFNAAXIMIWFSH-GFCCVEGCSA-N 380.391 3.866 0 40 GHAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 10434101 WDFPCTICRHXNIY-IBGZPJMESA-N 380.488 3.729 0 40 GHAB COc1ccc2c(CC(=O)Nc3cccc(-c4nnnn4C4CC4)c3)coc2c1 10815739 LYCNLALAZOPCCJ-UHFFFAOYSA-N 389.415 3.611 0 40 GHAB CCOc1ccc2oc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)c(C)c2c1 11555581 ZIECDVAJJVZOND-UHFFFAOYSA-N 396.443 3.768 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)cc2n1 12258011 UUPAQOYORPEIRX-ZIAGYGMSSA-N 378.398 3.729 0 40 GHAB COC(=O)c1cccc(CSc2nnc(C)n2-c2cccc(NC(C)=O)c2)c1 12539060 OIQRCANEBPWFHF-UHFFFAOYSA-N 396.472 3.613 0 40 GHAB CC[C@H]1CCCCN1CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 12568491 LKFDRYBQPWAZAE-URXFXBBRSA-N 391.515 3.898 0 40 GHAB CN(C)[C@H](CNC(=O)C1(c2ccc(Br)cc2)CC1)c1cccs1 12766100 JQJSEWBQCIXNML-OAHLLOKOSA-N 393.350 3.961 0 40 GHAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 12907409 SAIWJQHNENYHNP-CYBMUJFWSA-N 376.888 3.540 0 40 GHAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@H]1Cc2ccccc2O1 12918080 WBIAHQKPLXSTTR-JOCHJYFZSA-N 386.451 3.601 0 40 GHAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccccc2)cc1 12948111 XRZTZESEOYSPBO-UHFFFAOYSA-N 377.444 3.551 0 40 GHAB CCNc1c(NC(=O)c2ccc(Br)o2)c(=O)oc2ccccc12 13365215 WTHUXPAWOYCENW-UHFFFAOYSA-N 377.194 3.833 0 40 GHAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cnc(-c2ccccc2)nc1 14241605 NXSHICORBLFCKY-UHFFFAOYSA-N 380.835 3.556 0 40 GHAB C[C@@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1sccc1C(N)=O 15554261 NLUKIVVSIAKALR-CQSZACIVSA-N 395.484 3.865 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 16000883 YVVWLJNJHLUIRP-UHFFFAOYSA-N 379.460 3.548 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)O)n2-c2ccc(Cl)cc2)c1 16789132 HTCFATXHTMRHOX-UHFFFAOYSA-N 375.837 3.773 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)C1 16819059 BPWLQTIKXCFECY-CALCHBBNSA-N 375.472 3.563 0 40 GHAB CCN(CC)c1nc(Cl)nc(NCCOC(=O)Nc2cccc(Cl)c2)n1 16855441 FMQINLPBENBDBW-UHFFFAOYSA-N 399.282 3.685 0 40 GHAB CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cc(C(C)(C)C)[nH]n1 19083696 AGUQXDPDBFXVOG-YVWKXTFCSA-N 384.499 3.549 0 40 GHAB CC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(=O)NC(C)C)C1 19448995 LFUQFTYCTGSPJT-HSZRJFAPSA-N 382.479 3.798 0 40 GHAB C[C@H]1CN(c2ncc(-c3ccc(Cl)cc3)c(-c3nccn3C)n2)C[C@@H](C)O1 19497630 LWMANNHOVDLQSV-OKILXGFUSA-N 383.883 3.811 0 40 GHAB CCN(CC)[C@@H](CNCc1cc(-c2ccccc2)cn2nnnc12)c1ccco1 19526304 OSPHPCQGKPGJGJ-FQEVSTJZSA-N 390.491 3.557 0 40 GHAB CCOc1ccc([C@H]2CCCN2C(=O)c2c[nH]c3nc(C)ccc3c2=O)cc1 19715086 KJHULUOYZWJXQU-LJQANCHMSA-N 377.444 3.608 0 40 GHAB CCSc1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 20110542 YYPMFKPGFHKPJP-CYBMUJFWSA-N 396.509 3.731 0 40 GHAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(C(=O)O)cc1C 20152282 UVOZVVCJDPOVTI-UHFFFAOYSA-N 394.452 3.982 0 40 GHAB COc1ccc(S[C@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 20459991 HVPIGYLQAVUHKW-OAHLLOKOSA-N 381.501 3.986 0 40 GHAB COc1ccc(-n2nc3ccc(NC(=O)COc4cccc(C)c4)cc3n2)cc1 20610074 DNVRFVCEQYVBDR-UHFFFAOYSA-N 388.427 3.755 0 40 GHAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccccc2OC)cc1 20738552 RWCNZTMAGZYWRH-KRWDZBQOSA-N 392.415 3.739 0 40 GHAB CC(=O)c1cccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 20761268 OKXHHVLUSYKQFN-UHFFFAOYSA-N 389.455 3.674 0 40 GHAB biogenic Cc1ccc(C)c(OC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1C 21336795 JPKDDCUWLCNOSJ-MCMMXHMISA-N 386.492 3.654 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ncnc3ccsc23)c1C 22004897 UAVKFNHLWWUFLF-JTQLQIEISA-N 375.475 3.786 0 40 GHAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)c1ccc(Cl)cc1Cl 22765798 FDMOXJPQYZKAJJ-MRXNPFEDSA-N 385.316 3.858 0 40 GHAB CCCCCc1nnc(NC(=O)C23C[C@@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)s1 23053498 VEOVMDRBJCQVQL-JNKARSBBSA-N 390.553 3.684 0 40 GHAB CN(CC(=O)OCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ncccn1 23173644 KYSQYISBTYVMOB-UHFFFAOYSA-N 399.454 3.509 0 40 GHAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)nc1 25285681 KWPJGYVZHGDBPZ-JOCHJYFZSA-N 387.483 3.632 0 40 GHAB Cc1cccc(C)c1NC(=S)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 25764798 OVVFTHSWJNGVIS-IBGZPJMESA-N 387.524 3.802 0 40 GHAB CCCOc1ccccc1/C=c1\sc2nc(/C=C/c3cccs3)nn2c1=O 27022065 IZSFAFDAHGBSHT-GIYAWHNBSA-N 395.509 3.719 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 27386200 NQVKILWJYBTEHQ-INIZCTEOSA-N 393.487 3.590 0 40 GHAB CCc1ccccc1Nc1nnc(SCc2ccccc2Cl)n(N)c1=O 28536120 SRQVZOLFFWGVNY-UHFFFAOYSA-N 387.896 3.604 0 40 GHAB CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(F)cc2)c2c(Cl)cccc21 32105748 UBAOCKICDLSZQQ-FQEVSTJZSA-N 396.809 3.919 0 40 GHAB Cc1ccc(S(=O)(=O)c2ccc(CSc3nc4ncccn4n3)cc2)cc1 32330588 VCWIZHUNLWSHKT-UHFFFAOYSA-N 396.497 3.558 0 40 GHAB COC(=O)Cc1ccc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 32759240 BCPJCTAMNUDFGZ-UHFFFAOYSA-N 398.459 3.930 0 40 GHAB C[C@H](NC(=O)NCc1ccccc1CN1CCCC1=O)c1ccc(F)c(F)c1 32795633 CHRYFFMLUBMAHX-AWEZNQCLSA-N 387.430 3.648 0 40 GHAB CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCCN(Cc2ccc(C)cc2)CC1 32892863 NKJOJHJBWSMDEY-HSZRJFAPSA-N 395.547 3.929 0 40 GHAB O=C(CSc1cc(N2CCCC2)ncn1)Nc1ccc(Br)cc1 38925393 XHENMQWUTIKRTD-UHFFFAOYSA-N 393.310 3.570 0 40 GHAB O=C(Nc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1)c1ccncc1 40074379 JVTDMSMIQOVWNA-UHFFFAOYSA-N 385.379 3.693 0 40 GHAB COCCn1c(S[C@H](C)c2nnnn2-c2ccccc2)nc2ccccc21 40089637 FBSSRUPABUTEHV-CQSZACIVSA-N 380.477 3.512 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc(Cn3cncn3)c2)c(C)c1C 40149796 GHOSRSSIVZGSFQ-UHFFFAOYSA-N 384.505 3.669 0 40 GHAB CCOC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3ccc(C(C)C)cc3)ccc12 40397943 LKLKUNYLQDSNAF-UHFFFAOYSA-N 390.443 3.642 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)NCC1CCN(Cc2ccsc2)CC1 43944368 SCVSGELKVNDZMD-UKTHLTGXSA-N 376.547 3.550 0 40 GHAB CCOc1ccc(CCC(=O)NCCCN2CCCCCC2)cc1OCC 44903105 IBGRPOADIQULKE-UHFFFAOYSA-N 376.541 3.799 0 40 GHAB CN(Cc1ccncc1)C(=O)c1cc(Cl)ccc1I 47851403 FFJBDRRKROOATH-UHFFFAOYSA-N 386.620 3.612 0 40 GHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)Nc1ncccc1O 48248094 BKKGJPQOWBPYLH-UHFFFAOYSA-N 390.365 3.790 0 40 GHAB C[C@H]1CCCN(C(C)(C)CNC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C1 54805095 PEBBLOZXCGOYMC-KRWDZBQOSA-N 397.567 3.962 0 40 GHAB CC(C)Cn1c(SCC(=O)N(C)c2ccccc2)nc2ccsc2c1=O 57426240 DIGADTPIOICLTC-UHFFFAOYSA-N 387.530 3.869 0 40 GHAB CCNC(=O)Nc1cccc(F)c1C(=O)NCCCO[C@@H](C)c1ccccc1 58156177 RIQWCUBQTXORML-HNNXBMFYSA-N 387.455 3.865 0 40 GHAB CC(C)c1ccc(S(=O)(=O)N2CCCc3cc(C(=O)N(C)C)ccc32)cc1 58297933 AKXSKOGOVHALMA-UHFFFAOYSA-N 386.517 3.653 0 40 GHAB Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1ccc(F)cc1 66306307 GIYVSWOSSBEMKB-OAHLLOKOSA-N 390.480 3.950 0 40 GHAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccc2)cc1 72271995 SJSLIKQVOSZRLK-UHFFFAOYSA-N 376.821 3.630 0 40 GHAB COc1cccc(NC(=O)C2CN(C(=O)c3cccc4[nH]c(C)c(C)c34)C2)c1 72344560 MIQDSZNJMZRKNB-UHFFFAOYSA-N 377.444 3.504 0 40 GHAB CC(C)n1ncc2ccc(NS(=O)(=O)c3ccc(C(=O)O)c(Cl)c3)cc21 78938626 ZHXGYNJIRVADBM-UHFFFAOYSA-N 393.852 3.770 0 40 GHAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)n1 84102217 QIDDJTUJZJIRTR-INIZCTEOSA-N 391.519 3.694 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)s1 90607556 WBLFIIKFFGCCCW-UHFFFAOYSA-N 385.411 3.857 0 40 GHAB COc1cccc(C(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 95998718 JCOMWKJHCVQDFN-QGZVFWFLSA-N 396.491 3.567 0 40 GHAB Cc1nc([C@H]2CCCCCN2C(=O)CCc2nc(-c3cccs3)no2)no1 96001182 DNBLOTRLAICLMA-CYBMUJFWSA-N 387.465 3.566 0 40 GHAB CCOC(=O)[C@]12CCCN(Cc3ccc(C)s3)C[C@H]1CN(CC(C)C)C2 96055930 MMKOZIKQYZLKGY-RXVVDRJESA-N 378.582 3.790 0 40 GHAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nc(-c2cccnc2)cs1 96118807 PEWWQCHKHJCHNU-UHFFFAOYSA-N 391.456 3.757 0 40 GHAB O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccccc1-n1cnnn1 96223102 BZEFEUFJMZHEIT-MRXNPFEDSA-N 392.850 3.604 0 40 GHAB Cc1ccccc1CCC(=O)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96370754 QKMRJLSCOBHYIF-LJQANCHMSA-N 391.920 3.656 0 40 GHAB CCC[C@H]1[C@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@@H]2ON1c1ccccc1 102752654 DYGSNVAEYHBMBN-DFQSSKMNSA-N 380.444 3.564 0 40 GHAB COC(=O)[C@H]1CC(=O)[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118927141 LBPKNGBNCCAHKH-DNWNPWPDSA-N 390.520 3.929 0 40 GHAB Cc1cccc(C(=O)NC2(C(=O)O)Cc3cc(F)c(F)cc3C2)c1CC(C)C 146810501 SSNLQKKZPHUPJN-UHFFFAOYSA-N 387.426 3.824 0 40 GHAB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc(S(C)(=O)=O)cc1 218969933 LHQJGDWHEWEBAY-LJQANCHMSA-N 389.517 3.662 0 40 GHAB O=C(NCc1ccccc1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220934511 QTYZTOKAWJMQQE-MRXNPFEDSA-N 382.489 3.962 0 40 GHAB CCOC(=O)Cc1ccc(NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1 223013355 FDGQWPQUNDQVKA-UHFFFAOYSA-N 391.489 3.725 0 40 GHAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 223625146 IDUASIWKDKXMTI-SFTDATJTSA-N 392.528 3.536 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 223778767 SRCRRTQIZOTOPG-UHFFFAOYSA-N 391.880 3.828 0 40 GHAB Cn1c(=O)sc2cc(NC(=O)C3CCN(Cc4ccccc4F)CC3)ccc21 225056056 WWMUUZUVMZQLHW-UHFFFAOYSA-N 399.491 3.590 0 40 GHAB CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225098658 JALYCZUNTNNZMP-UHFFFAOYSA-N 388.258 3.812 0 40 GHAB CCc1ncnc(O[C@H]2CCN(C(=O)C3(c4cccs4)CCCC3)C2)c1F 240067985 SGJMKDYUAPREJZ-AWEZNQCLSA-N 389.496 3.731 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(Cc2cccnc2)C2CC2)[C@@H]1c1ccccc1C 257280363 OKNYDDLIIGXFAD-GGAORHGYSA-N 391.515 3.881 0 40 GHAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3ccccc3F)CCO2)n1 257296387 RCOZDMBSVIFSSD-HXUWFJFHSA-N 395.434 3.960 0 40 GHAB NC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)COc2ccc(F)cc2)C1 257305448 SQADTHWEKXWVKS-CYBMUJFWSA-N 398.459 3.534 0 40 GHAB Cc1noc(C)c1-c1cc(C2CCN(C(=O)Cn3cc(Cl)cn3)CC2)ccn1 257333483 YBSQRTLUMZWZOG-UHFFFAOYSA-N 399.882 3.610 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)c2)cc1 260566785 XVSVGHSWVYDLCJ-FIKGOQFSSA-N 398.528 3.739 0 40 GHAB CC[C@H](C(=O)N[C@H](C)C(C)C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 260899383 KZPPFAYCHMIPAZ-IAQYHMDHSA-N 395.352 3.699 0 40 GHAB NC(=O)CCC1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 271103037 YWJKSCBSSFDHQE-UHFFFAOYSA-N 383.473 3.674 0 40 GHAB O=C(CCc1ccccc1)N1CC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306144852 ZQFDEPUBDPGDJP-NRFANRHFSA-N 397.482 3.740 0 40 GHAB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2OC)cc1 408616082 VOPXRNLMTHBQFA-UHFFFAOYSA-N 390.439 3.886 0 40 GHAB CCN(C(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1)c1ccccc1 409180550 ZMTXBXZSOTVLCC-UHFFFAOYSA-N 377.396 3.969 0 40 GHAB CCCN1C(=O)N/C(=C/c2ccc(O[C@@H](C)CC)c(Br)c2)C1=O 409245914 AVTBERUATUDFFF-IWQAVIMZSA-N 381.270 3.929 0 40 GHAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccccc1Cl 409332454 RQMWKTVABIWDEY-UHFFFAOYSA-N 390.871 3.830 0 40 GHAB Cc1c(S(=O)(=O)Nc2ccc(C(=O)O)c(Cl)c2)c2ccccc2n1C 556347470 JUAVYSKCYIJENK-UHFFFAOYSA-N 378.837 3.639 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@@H](Oc2ccncc2Cl)C1 575605766 MQZWKBOXVXUPMZ-CQSZACIVSA-N 384.785 3.976 0 40 GHAB C[C@@]1(C(=O)O)CCC[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCC1 659233433 CIECBEYIIIOJCZ-WMLDXEAASA-N 380.282 3.630 0 40 GHAB CC1CCN(c2ccnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)n2)CC1 1554502608 UAFCNLREDYPSNN-BRWVUGGUSA-N 376.570 3.746 0 40 GHAB COc1cc(C)ccc1CN1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615122664 QHNAQKGWTVSHKJ-DEOSSOPVSA-N 394.515 3.792 0 40 GHAB CC(C)Oc1cncc(S(=O)(=O)Oc2ccc(Oc3cccnc3)cc2)c1 1655428956 IMZPUFZEMMMZHS-UHFFFAOYSA-N 386.429 3.824 0 40 GHAB O=C(Nc1cc(F)ccc1F)N1CCC[C@@H](c2nc(-c3ccncc3)no2)C1 1888906764 ORGYUPCCDSTTNC-CYBMUJFWSA-N 385.374 3.821 0 40 GHAB COc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8673477 JNDAVPYXGCAHMQ-SFHVURJKSA-N 389.879 3.935 0 40 GHAB CCOc1cc2c(cc1CNC(=O)c1oc3c(c1C)C(=O)CCC3)O[C@@H](C)C2 41687564 CHPAIDLBKYUHRC-LBPRGKRZSA-N 383.444 3.759 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1cccc2cccnc12 79495406 NNPHEVXTAMUTMB-IBGZPJMESA-N 396.472 3.727 0 40 GHAB Cc1nn(-c2ccc(F)cc2F)c2c1[C@H](c1cnn(C)c1C)SCC(O)=N2 79484158 PZOGOSKIPIXEJF-KRWDZBQOSA-N 389.431 3.925 0 40 GHAB Cc1nc(S[C@H](C(=O)NC(N)=O)C(C)C)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 103922048 VOQBIFNUTDIVOV-XAJHFOFHSA-N 392.569 3.809 0 40 GHAB O=c1c(-c2cncnc2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cc3ccccc3o2)C1 4237336 PVIZBZXWJRIXFX-FUHWJXTLSA-N 398.466 3.671 0 40 GHAB biogenic,in-vitro O=C(NC1CCN(C(=O)Nc2ccccc2Cl)CC1)c1ccc(F)cc1 4888479 NGWYFDZJVKNZRS-UHFFFAOYSA-N 375.831 3.905 0 40 GHAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccccc2OC)CC1=O 6288680 QPZQAOMSYDCPFR-SJLPKXTDSA-N 380.488 3.878 0 40 GHAB O=c1c2cc(Br)ccc2ncn1Cc1ncc(-c2ccccc2)o1 7392279 VGZXOOHMKHSRQM-UHFFFAOYSA-N 382.217 3.862 0 40 GHAB COc1cc(CN(C)C(=O)c2[nH]c3c(c2C)C(=O)CCC3)ccc1OC(F)F 23498262 NLXTZZWYLVQPRT-UHFFFAOYSA-N 392.402 3.724 0 40 GHAB CCCOc1ccc(C(=O)Nc2nc(CC(=O)OCC)cs2)cc1OCC 10045485 HIIIVIHOXYHDIM-UHFFFAOYSA-N 392.477 3.689 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CCC(C)C)c1 23640928 UQOLCBPGCIKBFG-UHFFFAOYSA-N 395.569 3.692 0 40 GHAB COc1ccc(OCCCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 8312459 SWBRSYXJNZVIES-UHFFFAOYSA-N 384.476 3.568 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2cccc(C)c2C)n1 8476610 GXKPCKGUXZIARJ-UHFFFAOYSA-N 378.476 3.626 0 40 GHAB CS(=O)(=O)N(CCCC(=O)Nc1cccc(F)c1)c1cccc(Cl)c1 8500124 SJWZDNKWPIMQJR-UHFFFAOYSA-N 384.860 3.664 0 40 GHAB CC[C@H](C)NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 8708520 UABNUPHPGIETBQ-INIZCTEOSA-N 380.517 3.865 0 40 GHAB O=C(CCCc1nnc(-c2ccccc2)o1)N1CCO[C@H](c2ccc(F)cc2)C1 43013751 VDHMDCTZYKDNGN-IBGZPJMESA-N 395.434 3.799 0 40 GHAB Cc1cccnc1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 12523233 PFJDMMGAKIGLAY-UHFFFAOYSA-N 388.349 3.515 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(F)c(Cl)cc1Cl 18100593 LWGRWFGQQGHTJC-UHFFFAOYSA-N 380.206 3.641 0 40 GHAB O=C(CCOc1ccccc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24931777 YHCVSPNNYMQEBV-OAQYLSRUSA-N 375.472 3.894 0 40 GHAB Cc1ccc([C@@H](NC(=O)c2ccc(-n3cnnn3)cc2)c2ccccc2)cc1C 25029345 NFJUGYFUYVOBLS-QFIPXVFZSA-N 383.455 3.799 0 40 GHAB CC(C)C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 108886074 JSJBXROAMHVGOI-UWHLTILDSA-N 394.515 3.546 0 40 GHAB CN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C1CCCCC1 9859272 CZVRQLMGCLPABK-UHFFFAOYSA-N 378.519 3.954 0 40 GHAB Cc1ccc(OCCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 3260585 KHTOLLCKPPWUCK-UHFFFAOYSA-N 383.231 3.648 0 40 GHAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 27570433 NBUPWUNXDZAFKX-AZUAARDMSA-N 391.515 3.705 0 40 GHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(C)Cc2cnc(C)s2)c1 58265658 PHTGYWDCLVFKEC-UHFFFAOYSA-N 388.493 3.502 0 40 GHAB C[C@@H](NC(=O)CNC(=O)NCc1ccccc1)c1ccc(Cl)c(Cl)c1 12770369 DKXVSXRHMDYBPP-GFCCVEGCSA-N 380.275 3.670 0 40 GHAB Cc1ccc(-c2csc(=O)n2CC(=O)Nc2ccc3oc(C)nc3c2)cc1 10321341 OVHFWOVOKMXYIY-UHFFFAOYSA-N 379.441 3.974 0 40 GHAB CC(C)N1C[C@H](C(=O)Nc2ccc(Oc3cccc4[nH]ccc34)nc2)CC1=O 72406198 MUXLFNDTYAQKPP-CQSZACIVSA-N 378.432 3.551 0 40 GHAB O=C(c1ccccc1Cl)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 12743319 BGGARZKNMXUBOK-UHFFFAOYSA-N 394.805 3.540 0 40 GHAB O=C1NC2(CCCCCCC2)C(=O)N1C[C@H](O)c1ccccc1C(F)(F)F 58364739 IVCFRSLWQLWAIF-HNNXBMFYSA-N 384.398 3.774 0 40 GHAB Cc1ccc(NC(=O)C[C@H](NC(N)=O)c2ccc(Br)cc2)c(C)c1 36390591 ZWYCQTPZQWHWQV-INIZCTEOSA-N 390.281 3.804 0 40 GHAB CCN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc21 28404415 GHNVENGINQNRPN-UHFFFAOYSA-N 397.818 3.993 0 40 GHAB COC(=O)c1[nH]c2ccc(F)cc2c1NS(=O)(=O)c1ccc(C)c(C)c1 2351296 AOKHDDCDNPSFLX-UHFFFAOYSA-N 376.409 3.511 0 40 GHAB O=C(OCc1nnc(-c2ccccc2Br)o1)c1cccnc1Cl 3396949 ZCLABPHNIBISHL-UHFFFAOYSA-N 394.612 3.905 0 40 GHAB O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2cc(-c3ccc(F)cc3)nn12 36615757 GCZGNYQUQCYVBG-UHFFFAOYSA-N 377.331 3.629 0 40 GHAB CCc1nc([C@@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)cs1 48363608 BCVGRIKWCIGPQT-JOCHJYFZSA-N 393.512 3.915 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 113941667 XWBIDBQFVFJPNJ-CQSZACIVSA-N 380.897 3.750 0 40 GHAB O=C(Nc1nc(C2CC2)cs1)c1cn(-c2cccc(Br)c2)nn1 29685447 MMLSBIOWCYMOQY-UHFFFAOYSA-N 390.266 3.616 0 40 GHAB Cc1c(Cl)cccc1N(CCCC(=O)Nc1ccc(F)cc1)S(C)(=O)=O 113965743 WUGDSZLSLYTZCL-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB O=C(Nc1cccc(Cl)c1Cl)c1cc(O)n(Cc2ccccc2)c(=O)n1 6188330 KRNMOXRCZOBYRG-UHFFFAOYSA-N 390.226 3.556 0 40 GHAB CC[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1cnc2ccccc2c1=O 5269906 OSAJMHXZGATSPP-JOCHJYFZSA-N 389.499 3.829 0 40 GHAB COc1cccc(C2(C(=O)N3CCC(N(C)CC(F)F)CC3)CCCC2)c1 72517683 RJZRBENOQSUVOU-UHFFFAOYSA-N 380.479 3.695 0 40 GHAB COc1ccc(NC(=O)NCCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 14309861 ZCUGRXYFAHHNNO-CQSZACIVSA-N 381.432 3.830 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 5537292 XWNZWNONNUMSCS-UHFFFAOYSA-N 376.412 3.934 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc(-n2cnnn2)cc1 6880191 KVTSKSULRNNOEF-UHFFFAOYSA-N 388.456 3.527 0 40 GHAB COc1ccccc1-n1nnnc1S[C@@H](C)c1nnc(-c2ccc(F)cc2)o1 7063287 DGNCBZXLEKWGHD-NSHDSACASA-N 398.423 3.713 0 40 GHAB O=C1[C@@H](C(=O)N(Cc2ccsc2)C2CC2)CCN1c1ccc(F)c(F)c1 67329697 MPVJQKOFVZHLLA-HNNXBMFYSA-N 376.428 3.570 0 40 GHAB Cc1ccc(-c2nnc(SCc3nc(-c4ccccc4Cl)no3)n2N)cc1 7112128 FFOACSOWQGBUKS-UHFFFAOYSA-N 398.879 3.963 0 40 GHAB Cc1ccc(Nc2ccccc2C(=O)NCc2nnc3n2CCCCC3)cc1 71794584 WNBRVPOVARJDFZ-UHFFFAOYSA-N 375.476 3.987 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)OCc2csc(-c3ccsc3)n2)cc1 7772347 KZHBQGGWSQINJG-UHFFFAOYSA-N 379.484 3.632 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN(C)[C@@H]1CCCc2ccccc21 16342686 JSTYNTRHAALTTJ-HXUWFJFHSA-N 399.922 3.746 0 40 GHAB CN(Cc1ccccc1N1CCCCC1)C(=O)CCn1c(=O)oc2ccccc21 9368724 PKTBIVPBUBHXPZ-UHFFFAOYSA-N 393.487 3.634 0 40 GHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC)c3ccccc23)C1=O 409060228 YOXADCMZYCKTLP-GZTJUZNOSA-N 385.441 3.838 0 40 GHAB Cc1cc(Br)c(NC(=O)CNC(=O)OCc2ccccc2)cc1C 409001318 HRPSTRNVEYESGR-UHFFFAOYSA-N 391.265 3.931 0 40 GHAB C[C@H]1CN(Cc2ccccc2)c2ccccc2N(C(=O)CCN2CCCC2=O)C1 84715215 RQUKUNNIIOCWJZ-IBGZPJMESA-N 391.515 3.688 0 40 GHAB Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1CCO[C@H](C)C1 95457816 BHZOQQSHUQHHPO-IUODEOHRSA-N 375.494 3.524 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NC1CC(C)(C)NC(C)(C)C1 27977456 MKEDRWSVOJIQBP-UHFFFAOYSA-N 382.552 3.847 0 40 GHAB COc1cccc([C@H](CNC(=O)N[C@@H](C2CCCC2)C(F)(F)F)N(C)C)c1 95942322 PTZHQACVTIICRH-IRXDYDNUSA-N 387.446 3.718 0 40 GHAB Cc1cc2oc(=O)cc(CN3CCN(C/C=C/c4ccccc4)CC3)c2cc1O 20533189 NHRRIBVIKCYWCH-VMPITWQZSA-N 390.483 3.638 0 40 GHAB CC(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2F)cc1 408706846 GASISQFKSJMKCD-UHFFFAOYSA-N 393.256 3.967 0 40 GHAB CCCCCN1C(=O)S/C(=C\c2ccc(OCC(=O)O)c(OCC)c2)C1=O 409218398 UWTVQXBAIMXHNK-WJDWOHSUSA-N 393.461 3.775 0 40 GHAB O=C(C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 39964136 GNOSITULCFIROW-QGZVFWFLSA-N 398.825 3.908 0 40 GHAB CCCc1nnsc1C(=O)/N=c1/[nH]c2ccc(OC(F)(F)F)cc2s1 36366714 NLPCIGGYHBSBTD-UHFFFAOYSA-N 388.396 3.673 0 40 GHAB Cc1ccc(N2C(SCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1C 32640571 AADSQZCFZRSCGT-RTBURBONSA-N 386.542 3.578 0 40 GHAB Cc1cccc(Cl)c1CC(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 555496535 AUCKSHHCWJQGEO-UHFFFAOYSA-N 384.863 3.869 0 40 GHAB COc1ccccc1Nc1nc(N)nc(COc2ccccc2C(F)(F)F)n1 31789680 HSZUAMQPWIMAST-UHFFFAOYSA-N 391.353 3.804 0 40 GHAB C[C@H]1CCCN(c2ccc(-c3noc(CN(C)Cc4ccccc4)n3)cn2)C1 65216028 KONQLLBPWQXSFF-KRWDZBQOSA-N 377.492 4.000 0 40 GHAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1[C@@H](O)c1ccccc1 72223658 CWJCSJFMPNTLCT-FQEVSTJZSA-N 383.492 3.529 0 40 GHAB O=C(N[C@@H](CO)Cc1ccc(F)cc1)N[C@@H]1CCc2cccc3cccc1c23 1565383028 HCOOFJHFSRFFEF-TZIWHRDSSA-N 378.447 3.869 0 40 GHAB O[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCc1ccccc1 77262559 FPAYRAAPTHHSQY-QNWVGRARSA-N 396.462 3.722 0 40 GHAB biogenic,in-vitro O=C(COc1ccc2ccccc2c1)NCC1CCN(c2ccncc2)CC1 70928680 RJGAOOWGDMEHLV-UHFFFAOYSA-N 375.472 3.646 0 40 GHAB COc1cc(C)c(NC(=O)CCc2c(C)nc(SC)nc2C)cc1OC 8723858 XQXJBHDAJKTHKN-UHFFFAOYSA-N 375.494 3.712 0 40 GHAB CCN(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 39986787 XZGRDVHRKHHDRJ-UHFFFAOYSA-N 380.897 3.606 0 40 GHAB CCOC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(SC)cc1 224972345 UCUFFEMIPNGKQE-UHFFFAOYSA-N 393.530 3.784 0 40 GHAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 223837810 OTHAQILHAJYDIF-VQTJNVASSA-N 378.501 3.996 0 40 GHAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@@H]1CCCn3nc(C(C)C)nc31)C2 569634969 JBGFEGXGAWHOQJ-GOSISDBHSA-N 395.507 3.502 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225529886 CAAPLRJGSFPABY-IBGZPJMESA-N 396.531 3.878 0 40 GHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 223710980 LKMHIBJUYQAFBK-CVEARBPZSA-N 395.937 3.722 0 40 GHAB CC[C@@H](C(=O)N(C)Cc1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 44947490 MOLRAUFMVGSSDE-FQEVSTJZSA-N 388.533 3.507 0 40 GHAB O=C(c1cc2cccc(Cl)c2oc1=O)N1CCN(c2ccccc2F)CC1 226040378 LNGOUZMMSPDSFS-UHFFFAOYSA-N 386.810 3.548 0 40 GHAB Cc1cccc(OCC(=O)Nc2nn3c(C4CCCCC4)nnc3s2)c1C 41108811 RRSBYTDBMKDQPW-UHFFFAOYSA-N 385.493 3.868 0 40 GHAB COC(=O)c1nc(NC(=O)[C@H](CCSC)n2cccc2)sc1CC(C)C 575442966 ISIFPTIUDGSZGF-ZDUSSCGKSA-N 395.550 3.863 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 225449318 XQJNWUDMQUDTKX-MOPGFXCFSA-N 396.531 3.612 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 222795664 VTHXTYQVVYMRLX-LEWJYISDSA-N 391.544 3.931 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl 223886707 LDXKNCLOGRFADU-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(OC(F)(F)F)cc1 40063149 UXAFYYCQXDJVTN-UHFFFAOYSA-N 396.413 3.967 0 40 GHAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1coc(NC(=O)c2cnccn2)n1 77196608 NVFDECDZVYYPMH-UHFFFAOYSA-N 397.394 3.540 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 224265241 PBMHCQDJLCLBPG-NRFANRHFSA-N 382.504 3.626 0 40 GHAB Cc1nccn1-c1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)cc1 225812102 OGEXZOJSPYJDRY-UHFFFAOYSA-N 389.377 3.895 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1-c1nc(CC)no1 46020125 JTPWTWKKOLUIIJ-UHFFFAOYSA-N 387.461 3.807 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 224701882 UHOUICXFASFAAW-LJQANCHMSA-N 382.504 3.626 0 40 GHAB CCN(c1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1)S(=O)(=O)CC 222398040 SFUBFZRKABURFZ-UHFFFAOYSA-N 390.505 3.902 0 40 GHAB CCN1C(=O)[C@@H](C(=O)N[C@H](C)c2ccccc2)[C@H]2C[C@@]1(C)Oc1ccccc12 239310099 IBJXYVQUQVHMFM-NCTNWIFASA-N 378.472 3.625 0 40 GHAB CCn1cnnc1-c1cccc(NC(=O)c2sc(NC(=O)C3CC3)cc2C)c1 24581717 AZRBYNMGJHNXMN-UHFFFAOYSA-N 395.488 3.936 0 40 GHAB Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)C2(C)CCN(C)CC2)nc1 257277699 NZAZQGROKLPRFA-LJQANCHMSA-N 382.508 3.749 0 40 GHAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 24643737 QGYMKXREPYXRAL-BBRMVZONSA-N 399.878 3.693 0 40 GHAB COc1ccccc1OCCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 260846277 JXOMGCYUPBYBPW-SFHVURJKSA-N 382.504 3.736 0 40 GHAB C[C@H]1CCc2c(sc3ncnc(N4CCC(N5CCCCC5=O)CC4)c23)C1 675638098 TZEVZBCFLXFANE-AWEZNQCLSA-N 384.549 3.797 0 40 GHAB CC[C@H](CNC(=O)N1CCC12CCOCC2)Oc1cccc(C(F)(F)F)c1 585079493 OWEJLXURMIUFKI-OAHLLOKOSA-N 386.414 3.827 0 40 GHAB Cn1c(=O)n(CCC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c2ccccc21 33216038 FNZHHLKTEMGFCP-UHFFFAOYSA-N 392.459 3.808 0 40 GHAB O=S(=O)(Nc1ccc(Oc2ccccc2)nc1)c1cnn(-c2ccccc2)c1 58366926 URSCMABMGFMRCN-UHFFFAOYSA-N 392.440 3.860 0 40 GHAB Cc1c(/C=C/C2=Nc3ccccc3[C@@H](O)N2CCCO)c2ccccc2n1C 5042781 NHGBQRAMMNBYIA-MDRMPYQZSA-N 375.472 3.919 0 40 GHAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccccc2OC)C1=O 5304611 FMNFFXSRNPGSBO-JOCHJYFZSA-N 398.434 3.655 0 40 GHAB COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccnc2)c1 11999056 KQCXAIPVEMPBMP-UHFFFAOYSA-N 387.439 3.936 0 40 GHAB COc1ccc(CN2CCC[C@@H]([C@@H](NC(C)=O)c3nccs3)C2)c(C)c1C 12365812 WSDOETBFBXMGLM-UYAOXDASSA-N 387.549 3.858 0 40 GHAB Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 12787786 JMNDVAFJJWOLSG-UHFFFAOYSA-N 386.517 3.741 0 40 GHAB CCc1cc2c(CN(CC)C[C@H]3COc4ccccc4O3)cc(=O)oc2cc1O 12803241 GYBAOZHXMRDMAG-KRWDZBQOSA-N 395.455 3.723 0 40 GHAB CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NCC)c2)cc1 13678865 XZBRGLSIGHHXOO-UHFFFAOYSA-N 390.505 3.588 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)on1 19122007 LPBDOBZUJHHQQN-SFHVURJKSA-N 398.488 3.664 0 40 GHAB Cc1ccc(C(C)C)c(OCCNC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 19134400 MFKNZQICHZQATJ-UHFFFAOYSA-N 394.471 3.581 0 40 GHAB O=C(C1CCC1)N1C[C@@H]2CCC[C@H](C1)C2n1nc(-c2ccccc2)ccc1=O 19374067 JHNVCALOFUHDFG-QIDMFYOTSA-N 377.488 3.510 0 40 GHAB CCn1cnc2sc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)c(C)c2c1=O 19717310 JMURDSQJJQEATN-CQSZACIVSA-N 397.500 3.819 0 40 GHAB CC(C)C(=O)N1CCC(CC(=O)NCC2(c3ccccc3Cl)CC2)CC1 19748873 SVAICWPZFRVXSK-UHFFFAOYSA-N 376.928 3.773 0 40 GHAB CCCc1nn(C)c(-c2nn3c(Cc4ccccc4F)nnc3s2)c1Cl 19910082 ZOOWOQXPJYRHDH-UHFFFAOYSA-N 390.875 3.922 0 40 GHAB CCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 19943168 DOCHEMRAJCCESY-STQMWFEESA-N 390.343 3.905 0 40 GHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)cc3)C2=O)cc1 8371554 LNOKYCHYAQCHDV-GZTJUZNOSA-N 382.441 3.679 0 40 GHAB Cc1cc(NC2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)ncn1 1888869703 RWJWPWHBODKJPW-UHFFFAOYSA-N 379.386 3.912 0 40 GHAB FC(F)(F)c1ccc(N2C[C@@H]3CN(c4nc5cnccc5s4)C[C@H]3C2)nc1 1888897637 IEAZHTXIVFCAJW-VXGBXAGGSA-N 391.422 3.678 0 40 GHAB CCc1ncnc(OCC2CCN(c3ncnc4ccc(F)cc34)CC2)c1F 1888914274 VWWISSVYZQCTQM-UHFFFAOYSA-N 385.418 3.556 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)NCc1cccc(NC(=O)C2CC2)c1 21067749 QYEMUDOFXNSLTR-UHFFFAOYSA-N 377.419 3.961 0 40 GHAB O=C(c1cc(F)ccc1F)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912690 VFZGESMHOODKIK-FQEVSTJZSA-N 379.378 3.540 0 40 GHAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(CC4CCCCC4)C3)C2)cc1 1201389721 OXZXIBVNBJLFAU-JOCHJYFZSA-N 385.508 3.825 0 40 GHAB FC(F)(F)c1cc(NC2CC3(CCN(Cc4nccs4)CC3)C2)ncn1 1565541654 KYKFLGKDPULWML-UHFFFAOYSA-N 383.443 3.809 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)Nc1ccccc1F 4164099 FGWISELSZREKBH-UHFFFAOYSA-N 379.420 3.661 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907172 RMAZCXLYBWBLDQ-OAQYLSRUSA-N 396.512 3.666 0 40 GHAB CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(C)c1)C(C(=O)OC)=C(C)N2 100951112 PODNUCSYDKCFQK-INIZCTEOSA-N 399.516 3.975 0 40 GHAB COCCNC(=O)Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F 36709659 VOTZBOHWILVMCM-UHFFFAOYSA-N 381.354 3.726 0 40 GHAB COc1ccccc1S(=O)(=O)NCC1(c2ccc([C@H](C)O)s2)CCCC1 225683823 LQMNEUNIEXKITN-AWEZNQCLSA-N 395.546 3.600 0 40 GHAB CC(C)c1ccc(OCC(=O)N2CC[C@H](Oc3cnc4ccccc4n3)C2)cc1 618255122 LRGXEOOBDZCLFS-IBGZPJMESA-N 391.471 3.812 0 40 GHAB Cc1ccc(C)n1NC(=O)c1cc(Br)cc(Br)c1O 59549619 UJPOYOQNJJWDAQ-UHFFFAOYSA-N 388.059 3.719 0 40 GHAB COc1ccc(C2(CNC[C@H]3COc4ccccc4O3)CCCC2)cc1OC 4811826 NYFRQZLEPZJASO-SFHVURJKSA-N 383.488 3.945 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(Cn2cccn2)c1 40074410 OAKMLGPZLBUFHY-JOCHJYFZSA-N 386.455 3.834 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccccc1O 40019984 OQVZRCFSYUQMLS-HNNXBMFYSA-N 388.489 3.516 0 40 GHAB Cc1cc(N2CCSCC2)ccc1NC(=O)Cn1c(C)nc2ccccc21 50493613 IWJISKHRFWIMIJ-UHFFFAOYSA-N 380.517 3.845 0 40 GHAB Cc1ccc(C)c(OCCCn2c(CN3CCOCC3)nc3ccccc32)c1 21175825 PGFVZAUIFSRVOK-UHFFFAOYSA-N 379.504 3.954 0 40 GHAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Br)cc1F 102147960 TXPZBJOAENTQTM-SRVKXCTJSA-N 384.245 3.896 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(Cn3cccn3)o2)cc1OC 32923907 NUKWCGPUHQKDSI-QGZVFWFLSA-N 381.432 3.519 0 40 GHAB Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 597180 KDFQABSFVYLGPM-JOCHJYFZSA-N 398.466 3.957 0 40 GHAB biogenic,in-vitro Cc1cc(Cl)ccc1N(CC(=O)Nc1c(C)cccc1C)S(C)(=O)=O 821435 DSGSDJXWHIFFSF-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB COc1cccc(OC)c1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1C 1341849 LKIATJOZFULGTA-INIZCTEOSA-N 383.448 3.647 0 40 GHAB CCc1ccccc1-n1c(SCC(=O)N[C@H](C)CC)nnc1-c1ccccn1 1362744 VYKJJLPZBMESGO-OAHLLOKOSA-N 395.532 3.899 0 40 GHAB O=C(/C=C/c1cccc(Br)c1)OCC(=O)N1CCc2ccccc21 3220348 KFVIVBWRCISIHJ-CMDGGOBGSA-N 386.245 3.595 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(NCc3ccccc3)s2)C1 3291759 UARSDRRQMSOSQT-KBPBESRZSA-N 376.551 3.747 0 40 GHAB CCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2[C@H](CC)CO)cc1 3297473 IKOMGGRTSDZSEC-QGZVFWFLSA-N 396.512 3.877 0 40 GHAB Cc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1-n1cccc1 4518482 JHLGHYFIYUPMCW-UHFFFAOYSA-N 382.276 3.737 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc(C)c1CC 4652221 WNONPYXRQSNKDT-DHMWGJHJSA-N 391.489 3.647 0 40 GHAB CCOc1ccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)cc1 4888445 GPWXZAVMRXNNGJ-UHFFFAOYSA-N 381.476 3.820 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1ccc[nH]1 4974117 RGENXSYFIKFYAJ-UHFFFAOYSA-N 397.406 3.967 0 40 GHAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(OCc2ccccc2)cc1 5398251 NIUAWZPLZGDEJN-UHFFFAOYSA-N 386.407 3.500 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)O 5984531 NOHJPRJHIPDDHW-CFMSYZGJSA-N 399.443 3.622 0 40 GHAB biogenic COC(=O)COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1C 6348449 ZKGLHWKHIZBDMF-UHFFFAOYSA-N 385.441 3.501 0 40 GHAB Cc1nnc(S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)O)[nH]1 6607214 NGTZQQKFBRDPMH-JYRVWZFOSA-N 399.457 3.951 0 40 GHAB CN(C)CCCNC(=O)c1cccnc1Sc1ccc(Br)cc1 6653325 AYGQRRAQHGJNFY-UHFFFAOYSA-N 394.338 3.677 0 40 GHAB O=C(NCc1ccccc1Cl)c1ccccc1SCC(=O)N1CCCC1 6787511 OWLCPLSKFZGWDO-UHFFFAOYSA-N 388.920 3.985 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(F)c(Cl)c1 6881478 WENPQXBEXVFKBG-UHFFFAOYSA-N 384.238 3.642 0 40 GHAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 6968590 IKROYZZPOTZBNK-UHFFFAOYSA-N 382.441 3.907 0 40 GHAB C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 7050193 NXDHQMBAHLKIRX-ZDUSSCGKSA-N 395.406 3.931 0 40 GHAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc2c(=O)n3c(nc2c1)CCC3 7264607 RTIOBOMQBOKHND-UHFFFAOYSA-N 388.254 3.580 0 40 GHAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(c2ccccc2)CC1 8132052 KMAVSTNLWGTOLD-UHFFFAOYSA-N 382.467 3.988 0 40 GHAB Cc1cc(C)cc(C(=O)N/C(=C2/N=C(c3ccccc3)OC2=O)c2ccncc2)c1 8652592 IVLSPAWWKRXCIE-QZQOTICOSA-N 397.434 3.801 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c1 8941055 NHNFXEWURGFJBH-CYBMUJFWSA-N 382.489 3.886 0 40 GHAB Cn1ccnc1[C@H](NC(=O)COc1ccc(F)cc1Cl)c1cccc(F)c1 9115055 MCQJQCFNJOWUTP-GOSISDBHSA-N 391.805 3.636 0 40 GHAB O=C(c1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1)N1CCOCC1 9191806 WMRMIROCDAZLAU-UHFFFAOYSA-N 399.454 3.612 0 40 GHAB Cc1cccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3ccccc32)c1 9219755 DGUYHGOLKXXLHG-QGZVFWFLSA-N 381.501 3.721 0 40 GHAB O=C(CCc1nc2ccccc2nc1O)OCc1ccc(Br)cc1 9593166 WCCMITQACLYYGT-UHFFFAOYSA-N 387.233 3.774 0 40 GHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 9903603 OKSZHCRWAYAXGJ-UHFFFAOYSA-N 378.259 3.945 0 40 GHAB O=C(NCCCN1CCCCC1)c1cn(-c2ccccc2)nc1-c1cccnc1 10086857 SCVUSFVARUVFOX-UHFFFAOYSA-N 389.503 3.540 0 40 GHAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccccc1)S(C)(=O)=O 10363942 ZGMGTUUQCQGZBJ-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB COc1ccc(CC(=O)Nc2cccc(-c3cn4nc(OC)ccc4n3)c2)cc1 11693380 DEJWRNRMDDJSOL-UHFFFAOYSA-N 388.427 3.595 0 40 GHAB O=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCc2ccccc2C1 11856787 ZCBVGEFDCFBQSV-UHFFFAOYSA-N 379.387 3.556 0 40 GHAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 11990519 ZZYLDUITAPOPGK-UHFFFAOYSA-N 395.484 3.762 0 40 GHAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)CCc1cn(C)c2ccccc12 12142072 GKXIUQMSMNOCMR-QGZVFWFLSA-N 391.471 3.614 0 40 GHAB COc1ccc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccc(OC)c(OC)c2)C3)cc1 12361612 JVYFPZZCJBKULN-VXMMSVGHSA-N 397.515 3.832 0 40 GHAB CCc1nn2c(nnc3c(=O)n(-c4ccccc4)ccc32)c1-c1ccc(OC)cc1 12392001 TZROHFIISNLYPO-UHFFFAOYSA-N 397.438 3.666 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4C)no3)CC2)cc1 12415217 IYXKLGPYHJKQJA-UHFFFAOYSA-N 397.500 3.922 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1 12525808 XETFMEOXLIURSY-UHFFFAOYSA-N 375.446 3.595 0 40 GHAB CCCc1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)cc1 12548684 YZROODXYAFWOSM-UHFFFAOYSA-N 388.518 3.720 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1C 12551395 RRBALLAVNBPMAW-UHFFFAOYSA-N 382.851 3.715 0 40 GHAB CN(CCNC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccccc1 12613143 PMPHBZRXDWLZFR-UHFFFAOYSA-N 383.492 3.578 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 12756769 YLSGMJZIEQVVCE-YWZLYKJASA-N 386.467 3.857 0 40 GHAB Cc1ccc(CSCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 12921692 JFVMBGBFBTXESV-UHFFFAOYSA-N 376.909 3.979 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 13013166 AVOYZQRPRXDSEF-LJQANCHMSA-N 395.455 3.575 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCN(Cc2ccccc2)CC1 13018124 HXYXICSNHWZOMH-UHFFFAOYSA-N 388.515 3.884 0 40 GHAB Cc1csc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1 13021507 QDJVORTUZUXCEK-UHFFFAOYSA-N 399.925 3.532 0 40 GHAB O=C(NC1CCCCCC1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944847 AHEPPHKAWGPZHP-MRXNPFEDSA-N 385.483 3.537 0 40 GHAB C[C@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2c(c1)OCCO2 14118767 TZBGCRZKYWVTQS-KXBFYZLASA-N 383.444 3.507 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1 14421336 TYHQOOQCRLTBCC-UHFFFAOYSA-N 382.416 3.579 0 40 GHAB C[C@@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccc(Cl)c(Cl)c1 14424856 GWGPSBREKAPIEB-LLVKDONJSA-N 379.243 3.596 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(F)c2)c1 14427789 YMEIHGOMYKUESZ-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB CCOc1ccc(NC(=O)CCn2c(=O)n(CC)c3ccccc32)cc1OCC 14702021 ZFJMSRWWENANLN-UHFFFAOYSA-N 397.475 3.649 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 16104386 GGLQAPRONQKVFI-INIZCTEOSA-N 386.354 3.911 0 40 GHAB CSc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc1 16751314 IGYJDPHPBLJAMW-GOSISDBHSA-N 395.480 3.669 0 40 GHAB Cc1nc(Cc2nnc(S[C@@H](C)C(=O)Nc3cccc(F)c3)o2)cs1 16973852 CGSBTNXLKQLKLB-VIFPVBQESA-N 378.454 3.684 0 40 GHAB Cc1cc(-c2snnc2[C@@H]2CCCN(Cc3cc4c(cc3C)OCO4)C2)on1 19125570 OUNVBOREDDZTNO-CQSZACIVSA-N 398.488 3.918 0 40 GHAB Cc1ccc([C@@H]2C[C@@]3(CC(=O)N(c4ccc(Cl)cc4)C3=O)N3CCCN23)cc1 19170013 WEWPSJPNLVNERY-UGKGYDQZSA-N 395.890 3.718 0 40 GHAB Cc1cccnc1[C@@H](Cc1ccsc1)NCc1ccc(N2CCOCC2)nc1 19237643 BXDBZUKYNHNNNJ-HXUWFJFHSA-N 394.544 3.757 0 40 GHAB CC(C)N(C(=O)CN1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)C(C)C 19447581 HFFYATWDHKHDKE-MRXNPFEDSA-N 393.915 3.530 0 40 GHAB CCc1ccccc1Nc1noc2c1CN(C(=O)C[C@H](C)n1ccnc1)CC2 19523047 RBUWEWYIVRBYQN-HNNXBMFYSA-N 379.464 3.713 0 40 GHAB CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)C(C)(C)C)C1 19528339 JPKXIOBDPHCUTO-QHCPKHFHSA-N 397.519 3.675 0 40 GHAB Cc1c(-c2cc(C(=O)N(Cc3ccncc3)C3CCCCC3)no2)cnn1C 19554028 GBMMEKRSNGJFIM-UHFFFAOYSA-N 379.464 3.754 0 40 GHAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)C2CC2)C1 19579647 RSWTWAHHDQESTB-XMMPIXPASA-N 394.490 3.752 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)cc2)n1 19659961 KDTCNOUCFYDKHU-UHFFFAOYSA-N 378.461 3.598 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(Nc2ccc(N3CCOCC3)cc2)n1 20259384 PAZVHHNUSZBPFP-UHFFFAOYSA-N 385.855 3.714 0 40 GHAB Cc1cccc(C)c1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccs1 22732446 PXYHSHHASZNLIZ-INIZCTEOSA-N 392.546 3.937 0 40 GHAB S=c1[nH]c(-c2cccs2)nn1CN1CCN(C/C=C/c2ccccc2)CC1 22792501 OEZJJVLXDVXGRG-XBXARRHUSA-N 397.573 3.958 0 40 GHAB O=C(Cc1cc(O)nc(SCc2ccccc2)n1)NCc1ccc(Cl)cc1 23138007 IYBAMIFYRHXPNM-UHFFFAOYSA-N 399.903 3.987 0 40 GHAB COc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc(OC)c1C 24311405 QXYDDHZCGJSSDU-UHFFFAOYSA-N 382.460 3.503 0 40 GHAB CNC(=O)c1ccc(CN(C(=O)CCOc2cccc(C)c2C)C2CC2)cc1 24982972 YUBCAYCRHRVAIM-UHFFFAOYSA-N 380.488 3.623 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cn1ncn(C)c1=S 25003363 VNUTXRZGFAGKFP-UHFFFAOYSA-N 390.944 3.556 0 40 GHAB CCCN(CCC)CN1C(=O)S/C(=C/c2ccc(C(=O)OC)cc2)C1=O 27519506 RAWLNRIISAESHC-FOWTUZBSSA-N 376.478 3.589 0 40 GHAB CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 27663550 YPUZNAKLWQCVIE-AQNXPRMDSA-N 389.561 3.749 0 40 GHAB CCCCN(C)C(=O)Cn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21 27694085 UDGFCXOWDLNIBI-UHFFFAOYSA-N 395.503 3.903 0 40 GHAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1cccs1)C[C@H]1CCCO1 27989474 LWQCQLLKWVBAIH-CQSZACIVSA-N 387.432 3.815 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)OCC(C)C)c3)CC2=O)cc1 28580643 GICUGRIVTVIQEY-SFHVURJKSA-N 394.471 3.799 0 40 GHAB CCC[C@H](NC(=O)[C@@H](C)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1 28887995 MCCHXEPYGWEBHG-VKJFTORMSA-N 381.476 3.864 0 40 GHAB COCCN(CCCN(C)C)C(=O)NCCC(c1ccccc1)c1ccccc1 31098091 KKNQWSVUBLSWOM-UHFFFAOYSA-N 397.563 3.818 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)Cc1csc(-c3ccc(C)o3)n1)OCO2 31877895 XDFSEEHWKNWSFU-UHFFFAOYSA-N 384.413 3.824 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccccc2CN2CCOCC2)o1 32210385 CHXLHXDXBPJACA-NWVKCBENSA-N 380.488 3.565 0 40 GHAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc2c(c1)OCO2 32889223 NMZVHFGJLMRBCO-CYBMUJFWSA-N 378.384 3.752 0 40 GHAB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cccc(C(N)=O)c3)cn2)c1 32931503 ACINJDBCUFPFFS-UHFFFAOYSA-N 375.428 3.520 0 40 GHAB CCCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1cccnc1 35311073 SHIOSLGTZAKHFD-UHFFFAOYSA-N 395.488 3.684 0 40 GHAB Cc1nc(CSCCC(=O)NC2CCN(Cc3ccccc3)CC2)cs1 40069532 AHRGYTMPLIPQMC-UHFFFAOYSA-N 389.590 3.856 0 40 GHAB COc1cc(CNC(=O)c2cc(F)ccc2F)ccc1OCc1cccnc1 40089064 WEQNCNQMUMVHRE-UHFFFAOYSA-N 384.382 3.877 0 40 GHAB C[C@H]1CN(C(=O)Nc2ccc(Br)cc2Br)C[C@@H](C)O1 40098266 FQLYFAQYPYXTQQ-DTORHVGOSA-N 392.091 3.853 0 40 GHAB CCCSc1ncc(Cl)c(C(=O)NCCC(=O)Nc2ccc(C)cc2)n1 41155460 IXTHSQLANKPMIT-UHFFFAOYSA-N 392.912 3.699 0 40 GHAB C[C@H]1CCC[C@@H](C)N1NC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 44356503 QNNZEHMWUMFNLI-GASCZTMLSA-N 379.526 3.702 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)cc2NC1=O 46501058 YFODCTPGWCYUIQ-GUYCJALGSA-N 398.484 3.929 0 40 GHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)c1 47305483 FRFVPXLCYGMWAS-QGZVFWFLSA-N 379.504 3.734 0 40 GHAB Cc1c(NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cccc1N1CCCC1=O 47845550 QXIHUXFCNOBNQE-CQSZACIVSA-N 381.432 3.733 0 40 GHAB Cn1cnnc1-c1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl 47992082 XOQPJKAALQCTIV-UHFFFAOYSA-N 383.260 3.590 0 40 GHAB Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(OC[C@H]2CCCO2)c1 55652933 TUOJFSODJGMGMK-MRXNPFEDSA-N 379.412 3.912 0 40 GHAB COc1ccccc1/C=C(/C(=O)NC[C@H](C)CN1CCCC1=O)c1ccccc1 58061229 ZKTUFAAWNNEFLP-CQHJRZBDSA-N 392.499 3.611 0 40 GHAB CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2C[C@H]2c2cccnc2)CCCCCC1 58169269 DTAHLMUOCJNJHD-ROUUACIJSA-N 387.524 3.919 0 40 GHAB C[C@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)N1CCc2sccc2C1 58329247 XARVHMWIUNYUCC-MRXNPFEDSA-N 399.564 3.702 0 40 GHAB COc1ccc(-c2c[nH]c3c(SCC(=O)NCc4ccco4)ncnc23)cc1 71328158 ZUGLXEJMIGLVBG-UHFFFAOYSA-N 394.456 3.635 0 40 GHAB COCCN(CCOC)c1ccc(C)cc1C(=O)NCc1cc2ccccc2[nH]1 72289555 ZWMSCDAFWDMKIN-UHFFFAOYSA-N 395.503 3.506 0 40 GHAB CCC(=O)N1CCc2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N(C)C)ccc21 72309366 RPJDCJFXLBIGMZ-HXUWFJFHSA-N 399.922 3.672 0 40 GHAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC(O)CC4)cc3)cc12 72396147 KELIRSKLBQMCOH-UHFFFAOYSA-N 377.488 3.718 0 40 GHAB COc1cccc(OCC(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)c1 77200141 VSOPQIXBSGCTOA-YLJYHZDGSA-N 398.459 3.750 0 40 GHAB Cc1ccc(-c2nc(NC(=O)c3ccc(CS(C)(=O)=O)o3)sc2C)s1 78416328 ODIRJPIXEZZJQI-UHFFFAOYSA-N 396.515 3.878 0 40 GHAB CC(C)CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)cc1 84510742 CNBNFYPLSJDZIR-XLIONFOSSA-N 389.540 3.871 0 40 GHAB CN(C)c1nccc(CNc2ncnc3scc(-c4ccc(F)cc4)c23)n1 95463005 LSSUMLHUDDUWTC-UHFFFAOYSA-N 380.452 3.966 0 40 GHAB COc1ccc([C@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)c(OC)c1OC 96221759 GOCFMQBARDVESO-CQSZACIVSA-N 396.395 3.568 0 40 GHAB biogenic CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)CC3CC3)CC2)Oc2ccccc21 96243098 KPQSZYZPOVIDIL-SFHVURJKSA-N 384.520 3.629 0 40 GHAB Cc1ccsc1CCC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96373985 UOHVJDSYDOOBHF-UHFFFAOYSA-N 395.521 3.593 0 40 GHAB CN(C)c1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1 98212919 JCGWGROFWVZWIR-UHFFFAOYSA-N 389.503 3.542 0 40 GHAB O=C(Oc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1cccs1 100395073 XHGZYNLGRJNQFF-OVQIEKSOSA-N 391.448 3.525 0 40 GHAB C[C@@H](NC(=O)COc1ccc(NC(=O)c2ccco2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102280336 RRRPKXRIEOGBQQ-PASDCYSWSA-N 382.460 3.852 0 40 GHAB CCN1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O 103024158 KGNXBHGLNZOQOK-BRWVUGGUSA-N 391.254 3.860 0 40 GHAB CN(C)c1ncccc1NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 103291124 ZDTFGMRYIGKKDO-LGBHXNNWSA-N 378.314 3.820 0 40 GHAB O=C(O)c1ccc(NC2CCCCC2)c(S(=O)(=O)NC2CCCCC2)c1 217447512 UNZPXOWZBJFAHM-UHFFFAOYSA-N 380.510 3.740 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl 222534959 GKDZVSORHNBLPL-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc12 222668697 WDXVIYFKIZCSMK-UHFFFAOYSA-N 376.456 3.787 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccc2C)cc1 222788362 RAWPVVKTUSBBHD-STZFKDTASA-N 390.439 3.684 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 223330068 XGRANTRYADYBKW-KRWDZBQOSA-N 388.533 3.509 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(OC(C)C)c2)ccc1Cl 223832877 ASBDKVGWOKGNDK-UHFFFAOYSA-N 383.853 3.715 0 40 GHAB COc1ccc(CNC(=S)Nc2cccc(OC(C)C)c2)c(OC)c1OC 225527086 FBUOVBHLKULVOZ-UHFFFAOYSA-N 390.505 3.986 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1csc2ccccc12 225695976 JVABQILFDUQGHC-HNNXBMFYSA-N 381.906 3.875 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)c1 225729838 PHDVJYUWFBRXRD-HZPDHXFCSA-N 377.554 3.518 0 40 GHAB Cc1nc(C)c(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)s1 225755669 MJBMEZPYULEUSC-UHFFFAOYSA-N 387.534 3.610 0 40 GHAB C[C@H](CN1CCNC(=O)[C@H]1Cc1cccc(-c2ccncc2)c1)c1ccccc1 247967735 CDMACZZYPLTCQZ-NTKDMRAZSA-N 385.511 3.895 0 40 GHAB COCCNc1ccccc1-c1nc(OC)c2cnn(-c3ccccc3)c2n1 253495482 GGSFYOLNDYSWRE-UHFFFAOYSA-N 375.432 3.549 0 40 GHAB CN1CCN(C(=O)C2CCCCC2)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 257239531 HPTBXQLMYYGDLX-QFIPXVFZSA-N 391.515 3.541 0 40 GHAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)CC3CCOCC3)CC2)n1 257242474 ICSGUVWBCMDMEE-UHFFFAOYSA-N 398.507 3.580 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1 257303567 SHSDYARUXXYWEH-QHCPKHFHSA-N 390.458 3.954 0 40 GHAB COc1cc(N2CCC[C@H](C)C2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 260710219 FARRQSIGYLUJPJ-GJZGRUSLSA-N 385.537 3.769 0 40 GHAB Cc1cccc(CN2Cc3cn(Cc4cccnc4)nc3-c3ccn(C)c3C2)n1 306132646 LOHRNZCWBKAEPG-UHFFFAOYSA-N 384.487 3.551 0 40 GHAB Cc1cc(N2CCC[C@@H]3[C@H](NC(=O)C(C)(F)F)C(C)(C)[C@@H]32)nc(C(C)C)n1 585137739 RJVSSCDNWLERNJ-VNQPRFMTSA-N 380.483 3.673 0 40 GHAB CCOc1cc(CSc2cc(C)cc(C)n2)nc2nc(C(F)(F)F)nn12 621995148 WNRLABMEWXNILD-UHFFFAOYSA-N 383.399 3.846 0 40 GHAB Cc1cc(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)c2cc(Br)ccc2n1 629136808 JZNJRRPNGPBNRW-GUYCJALGSA-N 375.266 3.603 0 40 GHAB OC[C@H](N[C@H]1COC2(CCC2)C1)c1ccc(Br)cc1C(F)(F)F 657999618 KWGBJGNLKJPKTO-RISCZKNCSA-N 394.231 3.803 0 40 GHAB COc1ccc2cc(NC(=O)N3Cc4ccccc4NC(=O)[C@@H]3C)ccc2n1 1215091293 ATLRAILMJJIAAU-ZDUSSCGKSA-N 376.416 3.618 0 40 GHAB C[C@H]1CC[C@H](C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2)C3)CC1 2055795919 UGMNLJYKULHKFB-UAPYVXQJSA-N 386.511 3.993 0 40 GHAB Cc1nc(NC(=O)Cc2cc3ccccc3[nH]c2=O)sc1-c1ccccn1 47074406 FDUTVHDRKUVRAS-UHFFFAOYSA-N 376.441 3.536 0 40 GHAB COc1cc(C(=O)Oc2cccc(CN3CCCCC3)c2)cc(OC)c1OC 1622050 VNBFYOCQSJFSSA-UHFFFAOYSA-N 385.460 3.918 0 40 GHAB Cc1nc(-c2ccc(C(=O)Nc3cccc(C)c3C(=O)N3CCCC3)cc2)n[nH]1 78902964 RBJBOPCXPPEOJU-UHFFFAOYSA-N 389.459 3.577 0 40 GHAB O=C(Nc1ccncc1)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 631179 FSWCIPMMKZQNGS-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB CC(C)CCN[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccc(C(C)C)cc3)CO[C@H]12 4236504 OFZIELQSRWGIKD-MTQWCTHYSA-N 376.497 3.529 0 40 GHAB biogenic,in-vitro O=C(c1ccccc1)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 6927259 HXBUTHZDPIEXQP-JZWVFAODSA-N 379.456 3.924 0 40 GHAB biogenic CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7313833 IDBNLROHCSAKFG-NRFANRHFSA-N 379.391 3.838 0 40 GHAB CSCc1nnc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)o1 23184801 OEMABAZKGMGRDE-NSHDSACASA-N 381.548 3.942 0 40 GHAB O=C1Nc2ccc(F)cc2[C@]12CCN[C@H]2c1cc(Br)ccc1F 61717731 WZJGEPHGIFLBJC-RDJZCZTQSA-N 379.204 3.652 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)N(CC)CC 8495455 PABXRVBITGEJSK-GOSISDBHSA-N 384.476 3.973 0 40 GHAB CC(C)CNS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810168 OVZBOCZFPLXWBC-UHFFFAOYSA-N 384.860 3.666 0 40 GHAB O=C(CCc1nc(-c2ccncc2)no1)N(Cc1ccco1)Cc1cccs1 24461935 JFEZERKKFXPSEI-UHFFFAOYSA-N 394.456 3.948 0 40 GHAB O=C([C@@H]1Cc2c(ccc3ccccc23)O1)N1CCN(c2ccccc2F)CC1 1394657 UKAYTFMVCAWARB-QFIPXVFZSA-N 376.431 3.631 0 40 GHAB COc1ccc(CNC(=O)CSc2cc(C)c3ccc(OC)cc3n2)cc1 12546751 BGUBZFDWUUNGCG-UHFFFAOYSA-N 382.485 3.969 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)cc1 12520454 VUJRFBXQZPCXNR-UHFFFAOYSA-N 397.481 3.719 0 40 GHAB CCCc1nc2ccccc2c(C(=O)OCC(=O)NCc2ccco2)c1CC 3247616 OFCOOKIPAWNEOI-UHFFFAOYSA-N 380.444 3.816 0 40 GHAB CC(=O)c1ccc(N2CCN(Cc3nc(-c4ccccc4C)no3)CC2)cc1 24795946 FFLDSLVYMIQERM-UHFFFAOYSA-N 376.460 3.570 0 40 GHAB Nc1nc(COC(=O)c2[nH]c3ccccc3c2Br)nc2ccccc12 58224856 NFBUKDQQNQYMBY-UHFFFAOYSA-N 397.232 3.813 0 40 GHAB O=C(Cc1ccc(Br)cc1)N1CCO[C@@H](c2ccc(F)cc2)C1 29112533 IJLUAPAYRQLMKQ-QGZVFWFLSA-N 378.241 3.731 0 40 GHAB C[C@H](OC(=O)c1ccc(Cn2cncn2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 10655695 CXGHQWRLFMVJSP-KZZKVKKMSA-N 393.487 3.657 0 40 GHAB CC[C@H](CNC(=O)N(C)Cc1ccc(OC)cc1)N1CCc2ccccc2C1 28391832 FKAYOCWWSJPWNF-OAQYLSRUSA-N 381.520 3.674 0 40 GHAB CC[C@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CCO1 29153742 OBFQIFHBTIZZBT-FQEVSTJZSA-N 375.472 3.849 0 40 GHAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 46468648 OVPZBCNYZKRDLO-OALUTQOASA-N 386.496 3.677 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)COc1ccc(-c2ccccc2)cc1 3422734 JOFRMVDSNVDHFC-UHFFFAOYSA-N 392.430 3.969 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1C 3569220 HDISRBMNPSSZHA-QFIPXVFZSA-N 395.480 3.967 0 40 GHAB Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 3577868 HGCOIGHNJHTTMY-QFIPXVFZSA-N 398.462 3.519 0 40 GHAB CC(C)CN(C(=O)/C=C/c1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 12910040 ODVDPJDCDXVLGY-KTRBRXNASA-N 390.332 3.678 0 40 GHAB O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C1 13020444 ZBYLKXAAYMTQMF-OAHLLOKOSA-N 393.512 3.667 0 40 GHAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc2cc(Cl)ccc2o1 13296713 VJOVQYJPBOIZOZ-UHFFFAOYSA-N 390.848 3.878 0 40 GHAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)C1CC1 6057816 HQVHWEPOAXFPAT-UHFFFAOYSA-N 379.459 3.545 0 40 GHAB CCNc1nc(NCc2ccccc2)nc(Oc2ccc(C(=O)OCC)cc2)n1 26531444 HKUZKLYENBFTAV-UHFFFAOYSA-N 393.447 3.885 0 40 GHAB CCOc1ccccc1-c1nn2c([C@@H]3COc4ccccc4O3)nnc2s1 4384042 NXKZHSYRZJGGCH-INIZCTEOSA-N 380.429 3.764 0 40 GHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(Br)c(C)c2)c1 6316558 QDIMGLIXEKEVQQ-UHFFFAOYSA-N 386.267 3.576 0 40 GHAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccc(F)cc2)C1=O 5304380 CFBSUOGXUOXCDI-OAQYLSRUSA-N 388.414 3.981 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1ccc(C(F)(F)F)cc1 14201982 XRXBFMPTOXLTPW-UHFFFAOYSA-N 396.384 3.552 0 40 GHAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(C(=O)Nc2ccccc2)CC1 14238921 PORRYFVLAYTRJL-MRXNPFEDSA-N 399.922 3.695 0 40 GHAB Cc1cc(C)cc(N(CC(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 22329105 QMOWOXVARHSIBF-SFHVURJKSA-N 388.533 3.564 0 40 GHAB O=C(N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1)[C@@H]1CCCCS1(=O)=O 96011200 BBUVGCFEKLRHQU-MOPGFXCFSA-N 397.968 3.915 0 40 GHAB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc(Cl)cc1 4893523 JWFWDJORBGYUQW-ZDUSSCGKSA-N 392.238 3.772 0 40 GHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)nc1 15001223 LWNHLFUEEZBSFO-UHFFFAOYSA-N 385.773 3.855 0 40 GHAB CCCCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2cc(C)[nH]c2c1=O 67299484 XDKFVNDMILPHTH-HNNXBMFYSA-N 398.532 3.803 0 40 GHAB C[C@H](NC(=O)CN1C(=O)CC2(CCCCC2)C1=O)c1cccc2ccccc12 7047031 IAPXPTWMXJLUHO-INIZCTEOSA-N 378.472 3.726 0 40 GHAB COc1ccc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1OC 9337456 WQFIWMFEKIODLC-UHFFFAOYSA-N 377.444 3.697 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nnc(CCC2CCCCC2)n1N 7140195 MAAPCSXKBVKTIS-UHFFFAOYSA-N 387.553 3.852 0 40 GHAB COc1cccc2cc(C(=O)NCCCn3ccc4ccccc43)c(=O)oc12 15743452 WHNQORIWLWGFGH-UHFFFAOYSA-N 376.412 3.576 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CC=C(c2ccccc2)CC1 7457310 MNVMCMMKYHXJTB-KRWDZBQOSA-N 375.472 3.540 0 40 GHAB COc1ccc(-n2nnnc2SCCCOc2ccc(Cl)cc2)cc1 7819795 XQQRUADFPYSJRN-UHFFFAOYSA-N 376.869 3.886 0 40 GHAB CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)c1 16806454 PFTCSQRPROPSRH-HXUWFJFHSA-N 393.439 3.509 0 40 GHAB C[C@H]1C[C@H](Sc2nnc(COc3ccccc3Cl)n2C2CC2)C(=O)O1 8323877 QYBNMGCUZYPSGL-HZMBPMFUSA-N 379.869 3.642 0 40 GHAB Cc1ccc(Cl)cc1-n1nc(C(N)=O)nc1-c1ccc(Br)cc1 408693858 GDCYABASJSQJRA-UHFFFAOYSA-N 391.656 3.758 0 40 GHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)cc1 9698638 IRCLOTFQWLHJOV-UHFFFAOYSA-N 388.423 3.906 0 40 GHAB O=S1(=O)CC[C@H](Nc2ncnc3cc(-c4ccc(Cl)cc4)sc23)C1 9691050 BQJOLDFODLEILS-LBPRGKRZSA-N 379.894 3.611 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1 20609574 YHCWYIUHSCEURW-JXMROGBWSA-N 377.429 3.513 0 40 GHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O 408640861 KAPYXAKENGPLMG-SFHVURJKSA-N 394.471 3.799 0 40 GHAB O=C(c1ccccc1Cl)N(Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408684780 OBDKIFULTRVSIK-CALCHBBNSA-N 394.858 3.849 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1C(=O)N1CCCC1 408596222 RTZSCWIRACBUPM-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB CCOc1cc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)ccc1O 32092902 XIVINSXBXGHNHT-LBPRGKRZSA-N 399.838 3.852 0 40 GHAB Cc1cc(NC(=O)[C@H]2CCC(=O)c3cccn32)n(-c2nc3ccccc3s2)n1 501843947 CRROXYYAMAWLCV-OAHLLOKOSA-N 391.456 3.748 0 40 GHAB Cn1ccnc1[C@@H]1C[C@H](NC(=O)Nc2cccnc2-c2ccccc2)CCO1 516849760 LXCNQIUWGNKDBZ-AEFFLSMTSA-N 377.448 3.524 0 40 GHAB C[C@H]1CN(Cc2ccc(Cn3c(=S)[nH]c4ccccc4c3=O)cc2)C[C@H](C)O1 32831170 CZELOAXRGWFFPW-HOTGVXAUSA-N 395.528 3.717 0 40 GHAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 218963332 IMLUWWRVMFRMOC-FQEVSTJZSA-N 389.517 3.860 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)c(C)c2)cc1 71760620 TVHGWVYKSZCRER-UHFFFAOYSA-N 395.525 3.974 0 40 GHAB COc1ccc(NC(=O)N2CC3(CCCC3)[C@H]2C(C)C)cc1S(C)(=O)=O 563797922 GRLADEYQLFXRGI-QGZVFWFLSA-N 380.510 3.531 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 223636260 BTZFHMWBMXDNJD-IBGZPJMESA-N 382.504 3.544 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@H](N2CCc3ccccc3C2)C1 225687187 HJUYKKFFTCXKSM-IBGZPJMESA-N 392.528 3.515 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 225571059 GCMHHALVHKLOEO-KRWDZBQOSA-N 386.517 3.579 0 40 GHAB COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)C(C)C 222914262 SBDRKUHTNLECRP-MRXNPFEDSA-N 386.467 3.524 0 40 GHAB CCN1CCN(C(=O)c2ccc(OC)c(COc3cccc(Cl)c3)c2)CC1 224151216 IEFRPDAYMSKMPG-UHFFFAOYSA-N 388.895 3.705 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 223754168 RDMLDCJQFRXZHH-KRWDZBQOSA-N 398.478 3.681 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223869754 SZYADNXFRVOUHQ-OXJNMPFZSA-N 389.517 3.742 0 40 GHAB COc1cccc(N([C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 220156164 HCFLEHIWZNCEFK-HNNXBMFYSA-N 390.505 3.612 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 223504986 ONUPUSRLTLJPHG-GOSISDBHSA-N 384.545 3.782 0 40 GHAB O=C(c1ccco1)N1CC[C@@H](c2ccn(C[C@@H]3CCCO3)n2)c2ccccc21 96260809 DMRYAIBOEWGLLV-DLBZAZTESA-N 377.444 3.838 0 40 GHAB O=C(Nc1cccc(F)c1)[C@H]1CN(C(=O)Nc2ccccc2)CC12CCOCC2 96241070 BCYSGPQRGUAANP-LJQANCHMSA-N 397.450 3.725 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@H]3c3ccncc3)C2)cc1 25094449 WOYHFVIIKYKEOX-SFTDATJTSA-N 377.488 3.606 0 40 GHAB O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1cc2c(OC(F)F)cccc2[nH]1 25452157 WYJOMDWJTBJYOX-GFCCVEGCSA-N 385.370 3.625 0 40 GHAB O=C(Cn1ccnc1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257239026 HNOSUWXJEZDWIF-MRXNPFEDSA-N 384.867 3.522 0 40 GHAB O=C(Cc1ccccc1F)N1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 257215990 CSPCKVCIVBJWAF-FQEVSTJZSA-N 392.434 3.502 0 40 GHAB Cc1cc(N[C@H]2CCc3ccc(-c4ccccc4)cc32)n2nc(C(=O)O)nc2n1 1610474243 CFQMDHLNBBFALV-SFHVURJKSA-N 385.427 3.897 0 40 GHAB Cc1cc(-c2cnc3c(cnn3C3CCN(C)CC3)c2)ccc1O[C@H]1CCOC1 623168136 FFDKQGMBSMGVDO-NRFANRHFSA-N 392.503 3.841 0 40 GHAB COCCOc1ccc(-c2noc([C@]3(C)COc4ccccc4O3)n2)cc1F 624534418 DJQRDSSUOGEEPZ-FQEVSTJZSA-N 386.379 3.588 0 40 GHAB CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(C(F)(F)F)cnc1O 635583088 QHGIYNATAHLVND-OTYXRUKQSA-N 388.773 3.965 0 40 GHAB CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCC[C@H](c2ncc3n2CCCC3)C1 668105455 YYLAGDBVGWRJEK-CNNODRBYSA-N 397.567 3.783 0 40 GHAB O=C(CN1CCC[C@@H]1[C@H](O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1196773909 VYJXZZGXVIBOEE-IEBWSBKVSA-N 394.393 3.722 0 40 GHAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cc4c(s2)CCC4)C3)n1 575405491 STOMHWKNUNYEFX-SFHVURJKSA-N 398.528 3.531 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1cnc(C2CC2)o1 585123841 FAYBIGZLLDOLQK-OAQYLSRUSA-N 392.503 3.987 0 40 GHAB COc1nc(C)c(Br)cc1-c1noc(Cc2cnccc2C)n1 585099603 XZZRBUJYAMXJMW-UHFFFAOYSA-N 375.226 3.505 0 40 GHAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(Cc3ccc4nc[nH]c4c3)C2)c1 585270145 GXLSLUXGNVRIAQ-NRFANRHFSA-N 385.895 3.931 0 40 GHAB COc1cc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)ccn1 1615128613 UIZRXDAKCGUWKY-QFIPXVFZSA-N 383.467 3.893 0 40 GHAB Cc1ccc(C2(C(=O)N3Cc4cc(C)ccc4OC[C@H]3CN(C)C)CC2)cc1 12406621 RAFOZNOMTLAQQJ-OAQYLSRUSA-N 378.516 3.686 0 40 GHAB COc1cc2c(cc1CN1C[C@@H]3[C@@H](CC[C@@]3(O)c3ncccc3C)C1)CCC2 19237706 FCUHGXMYLOVHIL-LEEZEASISA-N 378.516 3.617 0 40 GHAB O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccncc3)CC[C@@H]21 19405276 WHTIOCPHDIWXOS-ACRUOGEOSA-N 381.545 3.760 0 40 GHAB CCn1nc(C)c(CN(Cc2cccc(OC)c2OC)C[C@@H]2CCCO2)c1C 19523816 UYWGJYZBRJRAOJ-IBGZPJMESA-N 387.524 3.718 0 40 GHAB CCn1cnc2sc(C(=O)NCC(C)(C)c3ccccc3F)c(C)c2c1=O 19717377 CUFVHGXNHYJUNE-UHFFFAOYSA-N 387.480 3.633 0 40 GHAB CCCn1nc(C)c(-c2cc(C(=O)Nc3ccc4c(c3)N(C)CCC4)[nH]n2)c1C 19719295 HJPOKIBYAJLABB-UHFFFAOYSA-N 392.507 3.935 0 40 GHAB Cc1nc2cc(C(=O)N3CCCC[C@@H]3CCNC(=O)c3ccccc3)ccc2[nH]1 19749051 QZLOIOWCPOZSET-LJQANCHMSA-N 390.487 3.686 0 40 GHAB CCCCC(C)(C)[C@H](O)/C=C\[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 167059612 ZEMOZGYCFBTCMC-QISWJFHXSA-N 380.525 3.887 0 40 GHAB O=C(O)/C=C/c1cccc(NC(=O)COc2ccc(Br)cc2)c1 226322771 JQOAPMOWPFHLRY-RUDMXATFSA-N 376.206 3.564 0 40 GHAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)Cc3ccc(O)cc3)CC2)C1 19019855 XMZPHXMJGJNFHL-UHFFFAOYSA-N 394.515 3.947 0 40 GHAB COc1ccc(CC(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)cc1 19586724 YATITGUPECSQLS-UHFFFAOYSA-N 394.515 3.560 0 40 GHAB Cc1ccc2oc(C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)cc(=O)c2c1 11746515 NZINWHSYLVHSPP-UHFFFAOYSA-N 376.412 3.789 0 40 GHAB NC(=O)c1ccc(OCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1 7467590 JCMAAWUZUAJQNE-UHFFFAOYSA-N 384.451 3.665 0 40 GHAB COCCCNC(=O)Cc1ccc2c(c1)C[C@@](C)(Cc1ccc(Cl)cc1)O2 2037875601 VYGPTTLZKKANGO-JOCHJYFZSA-N 387.907 3.972 0 40 GHAB COC(=O)c1ccc(/C=C2\SC(=O)N(CNc3ccc(C)cc3)C2=O)cc1 1051978 RUYJAXRXQUDBNC-BOPFTXTBSA-N 382.441 3.888 0 40 GHAB COc1cccc(C(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)c1 4374730 MZKQBKZNWBLGJE-UHFFFAOYSA-N 392.484 3.747 0 40 GHAB CCc1ccccc1NC(=O)CSc1nccn(-c2ccc(F)cc2)c1=O 6915272 BJDKZFQDNCRINS-UHFFFAOYSA-N 383.448 3.665 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148997 PQTGJYCAPKOQQS-GOSISDBHSA-N 391.446 3.791 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccco1)c1cccs1 585146665 ACRAZWNFRVXINR-ZDUSSCGKSA-N 381.450 3.599 0 40 GHAB CCOc1ccccc1NC(=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 585318943 CKXHYGGANDBYQG-QGZVFWFLSA-N 377.448 3.823 0 40 GHAB FC(F)(F)c1cc(N2CCC(Nc3ncnc4ccsc34)CC2)ncn1 575617324 SKYFHBKHQQBZRD-UHFFFAOYSA-N 380.399 3.581 0 40 GHAB Cc1cc(N2CCOCC2)ccc1NC(=O)NCCO[C@H]1CCCC[C@@H]1C 40105570 KFEGTKPMKMERGC-JXFKEZNVSA-N 375.513 3.548 0 40 GHAB 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Cc1sc(NC(=O)CC2(C(=O)O)CCCC2)c(C(N)=O)c1-c1ccccc1 32808981 AYWJBGPUSYHVEY-UHFFFAOYSA-N 386.473 3.796 0 40 GHAB Cc1ccc(Br)cc1S(=O)(=O)NCCCOCc1ccccc1 32814234 XTCROCDKGMNYHU-UHFFFAOYSA-N 398.322 3.643 0 40 GHAB CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)c2ccc(CC(C)C)cc2)cc1 33047780 XPHINRULOZDFRF-MRXNPFEDSA-N 388.533 3.561 0 40 GHAB Cn1c(-c2ccc(F)cc2)c[nH]/c1=N\C(=O)c1[nH]nc2c1C[C@H](C(C)(C)C)CC2 35316690 IHOIAUFNCSKXCE-CQSZACIVSA-N 395.482 3.775 0 40 GHAB Cc1nc(C2(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)CCCCC2)no1 40049123 BPOZEKBPFHZTNJ-GOSISDBHSA-N 385.464 3.525 0 40 GHAB CCc1ccc(C(=O)NCc2ccc(OC[C@H]3CCCO3)c(OC)c2)s1 40107507 ORHCRFLAVLGZCY-OAHLLOKOSA-N 375.490 3.807 0 40 GHAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc2c(c1)OCCO2 41184743 AAOJMYRLTQEEHF-UHFFFAOYSA-N 385.807 3.733 0 40 GHAB O=C(Nc1cc(N2CCCC2=O)ccc1Cl)[C@H]1CC(c2ccccc2)=NO1 41930694 NTSDNHGKBOVIPV-GOSISDBHSA-N 383.835 3.599 0 40 GHAB O=C(NC[C@H]1COc2ccccc2O1)N1CCC[C@H]1c1nc2ccccc2s1 42294838 YBXZNRMPQPCHAH-HOCLYGCPSA-N 395.484 3.983 0 40 GHAB COc1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1OC 45203028 QGMHQAPWDUVDNV-UHFFFAOYSA-N 387.476 3.705 0 40 GHAB C[C@H](NC(=O)COc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCCCO2 45414255 WWTPVLXNYRCOJJ-LBPRGKRZSA-N 379.815 3.897 0 40 GHAB COc1ccccc1OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 48236089 FRLDNLXGVAGMRR-UHFFFAOYSA-N 380.366 3.931 0 40 GHAB CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)N[C@H](C)CC)cc1 48991091 CRJJDZRHVIIAIZ-CYBMUJFWSA-N 396.534 3.500 0 40 GHAB O=S(=O)(c1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)C(F)F 51593779 YVMWALZPCSYBHT-UHFFFAOYSA-N 391.443 3.943 0 40 GHAB COc1ccc(CNC(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1OC 56906006 QFYIKULHQMEVSN-UHFFFAOYSA-N 388.811 3.729 0 40 GHAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1C(=O)c1ccccc1 57354948 QEIGIXKSZBPAAB-UHFFFAOYSA-N 399.494 3.678 0 40 GHAB CCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)c(F)cc21 67340625 MWIYEAGDPCLGLG-UHFFFAOYSA-N 383.803 3.786 0 40 GHAB Cc1ccc(C)c(NC(=O)Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2C)c1 71327307 XOUVOUQYEQHHNW-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72349726 VFZRLIXKMOTRQX-SFHVURJKSA-N 379.504 3.559 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2ccnc(Nc3ncccn3)n2)C1 72377543 VAQHOARDOPSBOT-HNNXBMFYSA-N 394.866 3.683 0 40 GHAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)c2ccc3nsnc3c2)C1 77200224 NIJZYGQSGIXUPZ-HOTGVXAUSA-N 396.472 3.981 0 40 GHAB CCCCc1ccc(-n2nnnc2SCc2ccc3c(c2)nnn3C)cc1 79105100 MAPGJZJJSJJJSF-UHFFFAOYSA-N 379.493 3.579 0 40 GHAB COc1cc(NC(=O)CNc2cc(C(C)=O)ccc2Cl)cc(OC)c1OC 79111107 YWZPLSCVRVODDY-UHFFFAOYSA-N 392.839 3.619 0 40 GHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCCN1C[C@@H](C)C[C@@H](C)C1 89520886 KVYGIGYLQLVEQX-GASCZTMLSA-N 376.495 3.835 0 40 GHAB C[C@@H](NC(=O)N1CCc2cc(F)ccc2C1)c1nc(Cc2ccccc2)no1 92287356 TTXRAAGXJNOASW-CQSZACIVSA-N 380.423 3.628 0 40 GHAB O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1ccc2ncsc2c1 96120440 QOIDUSOYSJHEKN-UHFFFAOYSA-N 397.475 3.718 0 40 GHAB O=C(Oc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)c1ccc(Cl)cc1 102083256 GVWVUCPUDOZTCE-LSOMNZGLSA-N 393.826 3.871 0 40 GHAB O=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)Oc2ccc(Cl)cc21 170550352 FYDGYAPFRINEKS-UHFFFAOYSA-N 391.876 3.529 0 40 GHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O 205779588 ZPDWYYUQRPWUMQ-NYYWCZLTSA-N 390.244 3.687 0 40 GHAB CC[C@H](C(=O)N1CCCc2ccccc21)N(c1cccc(C)c1)S(C)(=O)=O 220514158 GMGOCHAYJQYZPQ-LJQANCHMSA-N 386.517 3.519 0 40 GHAB O=C(NCCc1ccccc1)[C@H]1CN(C(=O)c2cccs2)c2ccccc2O1 222955505 KZYBOLKZXHBTIZ-LJQANCHMSA-N 392.480 3.515 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1C 223644104 GWVYCMBVBPSMTF-UHFFFAOYSA-N 385.485 3.823 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 224303637 ZWHIAPNKINWUDN-PKOBYXMFSA-N 382.570 3.872 0 40 GHAB O=C(c1ccc2nsnc2c1)N1CCC(Oc2cccc3cccnc23)CC1 225705475 VMTRLWIXCGBBAM-UHFFFAOYSA-N 390.468 3.923 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)c(C)c1 225730120 AXJDMNZIWBKERS-HZPDHXFCSA-N 391.581 3.826 0 40 GHAB COc1cc(N2CCCCCC2)nc(NC(=S)NCCCc2ccccc2)n1 225964425 ZEOIPNWMLUCMMG-UHFFFAOYSA-N 399.564 3.785 0 40 GHAB CC(C)(C)C(=O)N1CCC(Cc2cncc(-c3ccccc3C(=O)O)n2)CC1 257325614 WTSFBGBFULSBML-UHFFFAOYSA-N 381.476 3.669 0 40 GHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1 408647995 WGWZWUAYNVEYBQ-UHFFFAOYSA-N 394.349 3.600 0 40 GHAB CC(C)C1=NN(C(=O)c2ccccc2Br)[C@@](O)(C(F)(F)F)C1 409061947 KJRSDQIJYQWWKT-ZDUSSCGKSA-N 379.176 3.558 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1cc2ccccc2n(C)c1=O 553282233 VNZDHPRCNAFVFE-BSIFCXSSSA-N 384.520 3.632 0 40 GHAB CN1CCO[C@@H](CSCC(=O)N2c3ccccc3CCc3ccccc32)C1 567848905 CHBDRICRFXAHFL-LJQANCHMSA-N 382.529 3.514 0 40 GHAB O=C(Cc1cccc(F)c1)N1CCC2(CC1)C(=O)N(CC1CC1)c1ccccc12 585104879 VRUUXNPRYLAUDX-UHFFFAOYSA-N 392.474 3.685 0 40 GHAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3cccc(OC(F)(F)F)c3)C2)n1 585340021 MIILDKWLWCPZBC-INIZCTEOSA-N 395.381 3.676 0 40 GHAB Cc1cc([C@H]2CN(C(=O)c3ccc4c(c3)nc(O)n4C3CC3)CCO2)ccc1F 613142819 NJFYGWSKONHCIQ-HXUWFJFHSA-N 395.434 3.738 0 40 GHAB O=C1CC[C@H](c2cccc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)c2)N1 1528743319 PEWLNYHNPJUSHR-LJQANCHMSA-N 394.862 3.788 0 40 GHAB O=S(=O)(N[C@@H]1CCN(Cc2ccsc2)C1)c1c(Cl)cccc1Cl 1565523766 VEFDKSJEBWUENR-GFCCVEGCSA-N 391.345 3.608 0 40 GHAB CCN1CCC[C@H]1CNC(=O)CC1(CN2Cc3ccccc3C2=O)CCCCC1 1565524459 IGRMFTMZQGHEJJ-FQEVSTJZSA-N 397.563 3.584 0 40 GHAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)COc2ccc(N3CCCC3=O)cc2)o1 53194405 JQERDWBQBMYWCA-HNAYVOBHSA-N 382.460 3.567 0 40 GHAB CCOc1ccc(-n2c(SCC(=O)N[C@@H](C)COC)nc3ccccc32)cc1 8724902 SLLKYBVTOMRXGA-HNNXBMFYSA-N 399.516 3.667 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccc(F)cc1 779425 ALXIVDUEQHSAJR-INIZCTEOSA-N 398.459 3.690 0 40 GHAB O=C(CSc1nnc(COc2cccc3ccccc23)o1)N1CCCCC1 875881 GJKVGZQAOHLSNT-UHFFFAOYSA-N 383.473 3.906 0 40 GHAB COc1ccc(NC(=S)NN2C(=O)CS[C@H]2c2c[nH]c3ccccc23)cc1 1087398 JSDMNVUXWIYLFO-SFHVURJKSA-N 398.513 3.652 0 40 GHAB CC(=O)c1cccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)c1 1330233 LBOBIKLRVYAHHR-UHFFFAOYSA-N 384.501 3.965 0 40 GHAB COC(=O)c1cccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccco2)c1 1377699 FNISCRSOPZRMQU-OALUTQOASA-N 397.475 3.773 0 40 GHAB Cc1ccc(OCCOC(=O)c2cccc(I)c2)cc1 3376894 SLWVLLVMPQDWQL-UHFFFAOYSA-N 382.197 3.835 0 40 GHAB O=C(CSCC(=O)Nc1ccccc1N1CCCC1)Nc1ccccc1F 22741308 ZFRIWKMVPGZGES-UHFFFAOYSA-N 387.480 3.736 0 40 GHAB CCc1ccc(NC(=O)CSc2nc3c(c(=O)n2CC)S[C@H](C)C3)cc1 4107926 RSWYMDZTHYSNKX-GFCCVEGCSA-N 389.546 3.593 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)cc1OC 4520777 RUJZXUXEBWQAIX-UHFFFAOYSA-N 387.436 3.613 0 40 GHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)OCc1cc(-c2cccs2)on1 22982778 PVKCYUWXWYJDHX-UHFFFAOYSA-N 395.440 3.706 0 40 GHAB CC(C)c1noc2ncc(C(=O)O[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)cc12 22989003 HFBIJQMBNRTIOG-CHWSQXEVSA-N 399.422 3.908 0 40 GHAB CCc1ccc(C(=O)OCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 6617851 PNIQRKRPKPCUSH-UHFFFAOYSA-N 398.415 3.682 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1 6629692 WOBLBCYPQYUQHD-MRXNPFEDSA-N 381.476 3.533 0 40 GHAB CCCCn1nnnc1NCc1ccc(OCc2ccccc2C)c(OC)c1 7262152 DQVLBDGJVAPOMT-UHFFFAOYSA-N 381.480 3.981 0 40 GHAB COC(=O)c1ccc(OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 7842802 HMTDFSVXTNSTHJ-UHFFFAOYSA-N 384.819 3.899 0 40 GHAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1cccc2nsnc12 23410689 CZOFAOFVWZFKPJ-UHFFFAOYSA-N 377.425 3.569 0 40 GHAB COCCNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 8469045 XTLIRHMPVNDJRI-UHFFFAOYSA-N 380.282 3.773 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=O)c3cnn(-c4ccccc4)c3)sc2c1 24924716 QFIZRSNTMZFXGV-UHFFFAOYSA-N 377.429 3.693 0 40 GHAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(/C=C/C(=O)O)cc1 12521156 PSRMSJNXRCBJHT-RUDMXATFSA-N 396.262 3.656 0 40 GHAB Cc1nc(CSCCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cs1 29981855 DJQQBRCKQMRKBZ-UHFFFAOYSA-N 397.953 3.825 0 40 GHAB COc1ccc(-c2ccc(C(=O)NC3CCN(C4CC4)CC3)c(F)c2)c(F)c1 107210849 HWXLRIFTFWEOIJ-UHFFFAOYSA-N 386.442 3.997 0 40 GHAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)NC12CC3CC(CC(C3)C1)C2 44016638 HHQWMRGMQQZIHZ-UHFFFAOYSA-N 378.480 3.765 0 40 GHAB CCCCC(=O)NC(=S)Nc1ccc2nn(-c3ccc(OCC)cc3)nc2c1 2052102 QCRGKOZSIVWGJT-UHFFFAOYSA-N 397.504 3.822 0 40 GHAB CC(C)[C@@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(=O)N(C)C 58144008 CLJHKIPYLFQIBU-IEBWSBKVSA-N 387.549 3.934 0 40 GHAB CN1N=C(SCc2ccc(Cl)cc2Cl)Sc2c1cnn(C)c2=O 2143835 PIAWQVCBQLTEIY-UHFFFAOYSA-N 387.317 3.833 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 27832528 CMHXYAYRXRWCGV-INIZCTEOSA-N 378.501 3.770 0 40 GHAB Cc1ccc(Cl)cc1N1C(=O)C[C@@H](NNc2nc3ccccc3s2)C1=O 2280297 GZGPLQOTKYXHTJ-CYBMUJFWSA-N 386.864 3.507 0 40 GHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1C[C@H](C)C[C@@H](C)C1 2376564 UXOLHNJYWXVTEH-CHWSQXEVSA-N 391.899 3.914 0 40 GHAB Cc1cccc(Cc2cnc(NC(=O)c3ccc(Cn4cncn4)cc3)s2)c1 11369606 YCODYOWLFQBVLT-UHFFFAOYSA-N 389.484 3.934 0 40 GHAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113953829 FJNYMMCOHZOVMV-IBGZPJMESA-N 387.911 3.888 0 40 GHAB COc1ccc(CC(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c(OC)c1 36775548 JKVYUIKTRCILFS-UHFFFAOYSA-N 388.807 3.693 0 40 GHAB CN1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2Cl)CC1 68933180 JESFNUFOCFGVAL-UHFFFAOYSA-N 398.688 3.700 0 40 GHAB O=c1/c(=C\c2ccc(-c3ccccc3)o2)sc2nc(Cc3ccccc3)nn12 11666708 IOPZBWQMRBYCMI-XMHGGMMESA-N 385.448 3.550 0 40 GHAB Cn1cc(C(=O)NCc2ccc(Cl)cc2Cl)c(=O)c2cc(F)ccc21 22236175 JNRHRGKPTLDKKL-UHFFFAOYSA-N 379.218 3.914 0 40 GHAB CCCCNC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 3371512 WGMQQEHHBIETBJ-UHFFFAOYSA-N 377.444 3.612 0 40 GHAB CC(=O)Nc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 12801158 WSWRICXTVPUBBK-GFCCVEGCSA-N 389.411 3.770 0 40 GHAB COCc1c(C(=O)OCC(=O)Nc2nc(C)cs2)sc2cccc(F)c12 12898367 DANWMMVNLARBMQ-UHFFFAOYSA-N 394.449 3.747 0 40 GHAB O=c1cc(CSc2nnc(-c3c[nH]c4ccccc34)o2)nc2sccn12 3521626 WLRZDTMSKGMETK-UHFFFAOYSA-N 381.442 3.580 0 40 GHAB Nc1nc(CSc2nnc3c(Cl)cc(Cl)cn23)nc2ccccc12 18326299 YXRBAPPHLVFQCC-UHFFFAOYSA-N 377.260 3.854 0 40 GHAB CCN(CC(=O)Nc1ccccc1OC)CC(=O)Nc1cccc2ccccc12 13057335 PHIROQCRUZMZLT-UHFFFAOYSA-N 391.471 3.748 0 40 GHAB Cc1cc(C)cc(C(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c1 13012264 ZVBLIQOUXZEARU-UHFFFAOYSA-N 378.394 3.868 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2F)C(=O)[C@]31C 4073408 RPUMDJWDSJZEEP-NRFANRHFSA-N 379.391 3.556 0 40 GHAB biogenic COc1ccc(-n2cc(C(=O)Nc3ccccc3O)c3ccccc3c2=O)cc1 71285742 GEGGDXKZAMGYRX-UHFFFAOYSA-N 386.407 3.957 0 40 GHAB O=C(CCCOc1ccc(I)cc1)OCc1ccccn1 64136232 KQMXJESRSFDVNT-UHFFFAOYSA-N 397.212 3.589 0 40 GHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4732043 NWJJEFBJZDXLRU-AWEZNQCLSA-N 381.432 3.941 0 40 GHAB CCc1cccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 4873151 BRMNCBFFPQXCHT-IBGZPJMESA-N 390.480 3.570 0 40 GHAB Cc1cccc([C@@H](CN[C@H](C)CCc2n[nH]c3ccccc23)N2CCOCC2)c1 96008167 TUAZMMGYCQYWLV-NTKDMRAZSA-N 392.547 3.856 0 40 GHAB O=c1c2ccccc2nc(SC[C@H]2CC2(Cl)Cl)n1C[C@H]1CCCO1 7171652 UXUBFFJJXQCDAI-VXGBXAGGSA-N 385.316 3.861 0 40 GHAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccncc1 9305051 MTKOFLIGMWFAHM-UHFFFAOYSA-N 388.379 3.578 0 40 GHAB biogenic Cc1sc2nc([C@@H](C)OC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)[nH]c(=O)c2c1C 7738348 LNHPPUNNULLBII-BKQLOGFTSA-N 388.489 3.601 0 40 GHAB C[C@H]1C[C@H](Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)C(=O)O1 8271103 MWVFYJFCPPUQOP-GUYCJALGSA-N 383.448 3.929 0 40 GHAB Cc1ccc2nc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(F)cc4)C3)sc2c1 8246108 PYFNGTQUCIDISU-HNNXBMFYSA-N 397.475 3.774 0 40 GHAB O=C(Nc1c(F)cc(F)cc1Br)c1ccc(-n2cncn2)cc1 8395121 ALDLHSMLECGSNW-UHFFFAOYSA-N 379.164 3.560 0 40 GHAB Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)N4CCSCC4)C3)nn2)cc1C 72328365 KLVDORCQRZFTPX-IBGZPJMESA-N 396.560 3.552 0 40 GHAB CC(=O)Nc1ccc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)cc1 20310008 RUMQJVSANPBFKS-UHFFFAOYSA-N 383.379 3.594 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1F 23738204 PCWPCMJDMZZNJF-UHFFFAOYSA-N 393.462 3.583 0 40 GHAB CCOc1ccc(CCc2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 547133921 BUYGNHXNGVHFEL-QGZVFWFLSA-N 377.444 3.774 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)N2c3ccccc3C[C@@H]2C)cc1OC 36394262 WUCVHEGVLFYVGJ-QFBILLFUSA-N 380.488 3.819 0 40 GHAB O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1c[nH]c2ncccc12 516250547 JGLRPGXNNHQDGO-CYBMUJFWSA-N 399.292 3.582 0 40 GHAB COc1ccc(NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)c(OC)c1 409411694 ZIXMJOJLYRDNRI-ZDUSSCGKSA-N 376.412 3.844 0 40 GHAB CSc1nc2ccc(NS(=O)(=O)c3cccc(C(=O)O)c3)cc2s1 34888542 MWHWPUCEMIFSDF-UHFFFAOYSA-N 380.472 3.517 0 40 GHAB O=C(CN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1)c1ccc(F)cc1 35310993 HXKBVRPJULTRPR-UHFFFAOYSA-N 398.522 3.805 0 40 GHAB O=[S@@](c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)C(F)(F)F 72312983 UFQDRUQAOUCTTG-JOCHJYFZSA-N 383.800 3.768 0 40 GHAB CC(=O)N1CCC(N2CCC(c3cncc(Oc4cccc(F)c4)n3)CC2)CC1 72363026 JUUNCBPWCAZSPU-UHFFFAOYSA-N 398.482 3.598 0 40 GHAB Cc1ccc(-c2nnc(NC(=O)c3cccc(N4CCCC4=O)c3)s2)cc1 222760023 UVFPLUKOEDNTHC-UHFFFAOYSA-N 378.457 3.893 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 225457366 RZDJAPAMIJYZRG-VQTJNVASSA-N 380.532 3.912 0 40 GHAB CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1cccnc1)c1ccccc1 223340456 CEHGKPDFTXRABO-QHCPKHFHSA-N 387.483 3.878 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1Cl 220358480 POHVGOWPRSBLPJ-AWEZNQCLSA-N 388.961 3.600 0 40 GHAB O=C(Cc1cccc(Br)c1)NCCCN1CCc2ccccc2C1 225622410 FMHHFCBNPKMQDO-UHFFFAOYSA-N 387.321 3.556 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2ccc(F)cc2)cc1C(C)C 225191839 QWYJORAWEMBTLD-UHFFFAOYSA-N 381.469 3.623 0 40 GHAB CCn1c(=O)sc2cc(NC(=O)COc3ccc4c(c3)CCCC4)ccc21 225123171 OPSNUWHMZOHJLQ-UHFFFAOYSA-N 382.485 3.979 0 40 GHAB Cc1cc(C)n(-c2ccc(CCC(=O)NC[C@H]3CCCN4CCCC[C@H]34)cc2)n1 225418054 GYSXTLVLSXTOSI-FYYLOGMGSA-N 394.563 3.802 0 40 GHAB biogenic CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1F 223561218 QSWAJAFODDMUTK-SFHVURJKSA-N 384.495 3.744 0 40 GHAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 223960566 HFJFZYPHBZMHSQ-KSMMKXTCSA-N 388.464 3.545 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)n1 257338685 YYMYSGGJTPKYDA-GOSISDBHSA-N 396.466 3.624 0 40 GHAB CN(C[C@H]1C[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1Br 626461554 JJCPEHZKOUOSMN-DTORHVGOSA-N 397.191 3.582 0 40 GHAB O=C(NCCOc1ccccc1-c1ccccc1)N1C[C@H]2CC[C@H]1[C@H](CO)C2 663830386 LYFYNUXREUQBRQ-CUWPLCDZSA-N 380.488 3.535 0 40 GHAB O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)N2CCC23CCOCC3)cc1 683419399 NSMCOHRCCPCSKI-UHFFFAOYSA-N 397.450 3.543 0 40 GHAB O=C(NCc1cccc2ncccc12)Nc1ccc(-n2ccccc2=O)cc1F 1207618430 BLNUGMLLBQRVQL-UHFFFAOYSA-N 388.402 3.847 0 40 GHAB COc1coc(C(=O)N2CCC[C@@H]2c2ccc(OC)c3ccccc23)cc1=O 604419231 RUZBSOKLYOETQN-QGZVFWFLSA-N 379.412 3.788 0 40 GHAB Cn1nc(C2CC2)nc1COc1cccc(OC(F)(F)F)c1Br 585124125 JBTRYHKYRKLDRO-UHFFFAOYSA-N 392.175 3.933 0 40 GHAB CC(C)C[C@H](O)C(=O)N1CCC[C@@]2(CCCN2Cc2ccc(F)cc2)CC1 585100400 OWRHDWLJQHEVPC-RBBKRZOGSA-N 376.516 3.580 0 40 GHAB O=C(/C=C/c1ccccc1)N1CCC[C@H](Cc2c[nH]c(=Nc3ccccn3)cn2)C1 585293054 VOBCDZWXSKGAMZ-YVNCXZRQSA-N 399.498 3.532 0 40 GHAB CCc1ccc2c(CN3CCN(c4ccccc4OC)CC3)cc(=O)oc2c1 57406030 MDJPASHVQVJRTA-UHFFFAOYSA-N 378.472 3.686 0 40 GHAB Cc1cccc(OCCCCC(=O)Nc2cc(S(C)(=O)=O)ccc2C)c1 57384224 DRZHZTHDCYKIFR-UHFFFAOYSA-N 375.490 3.895 0 40 GHAB CC(=O)Nc1cc(C(=O)O[C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1F 95468926 HDJRRJKUABLNOA-DNVCBOLYSA-N 384.451 3.852 0 40 GHAB COc1ccc(-c2cs/c(=N\S(=O)(=O)c3ccccc3Cl)[nH]2)cc1F 60950989 GTZXCTWANQPHRL-UHFFFAOYSA-N 398.868 3.834 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H](N)Cc3ccccc3)o2)c1 5070009 ITXYOWWVOVXMOV-INIZCTEOSA-N 382.489 3.660 0 40 GHAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@@H](NC(=O)CCc2ccccc2)C1 12221018 YSNPOIRWENOKQU-IBGZPJMESA-N 378.520 3.839 0 40 GHAB CN(C)CCCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccs2)n1 12325478 OTIHXELUDVDPEH-UHFFFAOYSA-N 382.489 3.964 0 40 GHAB O=C(NC[C@@H]1CCCO1)c1cccnc1Sc1ccc(Br)cc1 12938609 RLLZQEUIOJOVAB-ZDUSSCGKSA-N 393.306 3.904 0 40 GHAB CC(=O)Nc1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1 17080687 DLMUDHWHHYPEKO-VMPITWQZSA-N 394.544 3.673 0 40 GHAB CC[C@@H](C(=O)NCC1(c2cc(C)cc(C)c2)CCOCC1)n1nc(C)cc1C 19499476 VJEKQLHUQDKPLR-NRFANRHFSA-N 383.536 3.932 0 40 GHAB Cc1ccc(C(=O)NCC2(c3ccccc3Cl)CC2)cc1N1CCOCC1 19716630 TZXFYSPWQQNSCA-UHFFFAOYSA-N 384.907 3.947 0 40 GHAB Cc1noc(C)c1C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 12736869 UZOQAGDODWOLJA-QGZVFWFLSA-N 377.448 3.587 0 40 GHAB NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)c2ccccc2F)CC1 13266817 IFNWSVIZSSTUMG-UHFFFAOYSA-N 395.409 3.632 0 40 GHAB CCOc1cccc2sc(NC(=O)c3c[nH]c4c(OC)cccc4c3=O)nc12 19715004 OBJTZFFJFRDYCX-UHFFFAOYSA-N 395.440 3.797 0 40 GHAB O=C1C[C@H](C(=O)NCCCc2cccs2)c2cc(Br)ccc2N1 584087980 NAKGRQSKBUROOY-AWEZNQCLSA-N 393.306 3.685 0 40 GHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)C1=O 2657968 DCJVCQKLYYHGHS-HSZRJFAPSA-N 393.487 3.798 0 40 GHAB COc1ccc(CNC(=O)CSc2nc3cc(Cl)ccc3o2)cc1OC 3273495 UVKCXWNABYFTTJ-UHFFFAOYSA-N 392.864 3.907 0 40 GHAB Fc1ccc(N2CCN(c3cc(C4CCOCC4)nc(C4CC4)n3)CC2)cc1 1888888236 NTPJABFYYPUTSA-UHFFFAOYSA-N 382.483 3.714 0 40 GHAB CC(C)c1ocnc1CN(C)C1CN(c2ccc(-c3ccc(F)cc3)nn2)C1 1888899184 XFTICYKUCXHMIB-UHFFFAOYSA-N 381.455 3.715 0 40 GHAB Cc1noc(C)c1CCC(=O)N1CC(n2c(C(C)(C)C)nc3ccccc32)C1 1889214019 CXCTWOPVPJDOMS-UHFFFAOYSA-N 380.492 3.955 0 40 GHAB CCOC(=O)C[C@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(C)cc1 3621059 ANMSNPMTPBCBGR-SFHVURJKSA-N 379.412 3.526 0 40 GHAB CC1(C)COc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2NC1=O 9168869 SKQHYOFPOLHGJE-UHFFFAOYSA-N 386.882 3.559 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 15883245 LBHOQZIJYITNHF-UHFFFAOYSA-N 382.803 3.531 0 40 GHAB O=C1CCC2(CCC(NCc3ccc(F)c(F)c3)CC2)N1Cc1ccncc1 2055816062 NPCONSVLYXMVOS-UHFFFAOYSA-N 385.458 3.953 0 40 GHAB COc1ccc(-c2nc(-c3nnn(Cc4cccc(F)c4)c3C)no2)c(OC)c1 49410246 JDKQZPLMQUJLBL-UHFFFAOYSA-N 395.394 3.508 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1 2711522 CRTQRMZTFMQKLZ-UHFFFAOYSA-N 380.922 3.942 0 40 GHAB Cc1cc2nc(NC[C@@H](c3ccc(C)o3)N3CCOCC3)c3ccccc3n2n1 40071535 VDHGUVGIFDQGTC-IBGZPJMESA-N 391.475 3.578 0 40 GHAB O=C(CCc1nnc(-c2ccccc2)o1)NCc1cccnc1OC1CCCC1 40089442 FRBAHFPGZROQLD-UHFFFAOYSA-N 392.459 3.702 0 40 GHAB CCc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(F)cc1 20060465 WAEFXQIYTIOUAF-MSOLQXFVSA-N 397.479 3.686 0 40 GHAB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1c(F)cccc1F 40134424 DBPNOZNEIOBQKF-UHFFFAOYSA-N 385.336 3.777 0 40 GHAB COC(=O)c1cccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n1 40133601 KVEMFGHMWYNCGF-RKDXNWHRSA-N 398.303 3.508 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCCOC(C)C)c(C)c3cc12 40309304 QEBGPMUMEJQHAD-UHFFFAOYSA-N 385.460 3.938 0 40 GHAB biogenic C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 32147264 FGVYIDJETXUNNR-WMLDXEAASA-N 392.546 3.786 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4ccccc4)nn32)cc1OC 20726199 UYNNMTSGKJEXGE-INIZCTEOSA-N 392.415 3.739 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)c1cccs1 21495984 IBNDFYVLKVZDFB-KRWDZBQOSA-N 382.489 3.757 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2Br)n1 21530116 GBJNBCFOUCEHHW-BQYQJAHWSA-N 395.278 3.663 0 40 GHAB CCOc1ccc(-c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)cc1 641694 PIRZIHGWQBDYNK-INIZCTEOSA-N 380.429 3.764 0 40 GHAB CCCc1cc(=O)oc2cc(C)cc(OC(=O)CCNC(=O)OC(C)(C)C)c12 2150554 TZKCNJUBIRJYRT-UHFFFAOYSA-N 389.448 3.874 0 40 GHAB biogenic CC[C@]1(C)Cc2ccccc2-c2nc(NCCCO)n(-c3ccccc3)c(=O)c21 2394796 MZPINEFXPDPYQS-XMMPIXPASA-N 389.499 3.918 0 40 GHAB CCOc1cc2c(cc1OCC)[C@H](c1cc(OC)c(OC)cc1OC)NCC2 2503743 IYHNXOPMUWAGOH-JOCHJYFZSA-N 387.476 3.745 0 40 GHAB CCOc1ccc2sc(N3C(=O)c4ccc(OC)c(OC)c4C3=O)nc2c1 2742219 YEJJFVBCVFAKCJ-UHFFFAOYSA-N 384.413 3.513 0 40 GHAB Nc1cc(Cl)ccc1C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1 3258969 ZPCNTIZIVGSKLY-UHFFFAOYSA-N 387.867 3.708 0 40 GHAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)[C@@H](C)Oc1ccccc1 4033159 CLQBPBCFMMONHY-OAHLLOKOSA-N 388.427 3.811 0 40 GHAB COC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CCN(C(C)C)C2 4086932 LIMSDHJRNBBDQY-UHFFFAOYSA-N 386.517 3.873 0 40 GHAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCCO)C(=O)Nc3ccccc3)cc12 4133343 YSXVGYIZUMXUAV-UHFFFAOYSA-N 379.460 3.561 0 40 GHAB COc1ccc(-c2c(C)c3ccc(OC(=O)N4CCOCC4)cc3oc2=O)cc1 4340039 HFCDDDFRSPUKTB-UHFFFAOYSA-N 395.411 3.608 0 40 GHAB biogenic O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccc(Cl)cc1 5427794 YEUXYPFSBSASEY-UHFFFAOYSA-N 389.164 3.985 0 40 GHAB COc1cccc(-c2nc(C(=O)NCCCO)cc3c2[nH]c2ccccc23)c1 5960714 JMQVJVSBQLWPHF-UHFFFAOYSA-N 375.428 3.504 0 40 GHAB biogenic O=C(CCSc1ccc(Cl)cc1)OCc1cc(=O)n2ccsc2n1 5987425 KNDHYJBDUHVRAJ-UHFFFAOYSA-N 380.878 3.635 0 40 GHAB CCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc(C(N)=O)c1C 6047173 GVNQOGLYPVUPQQ-UHFFFAOYSA-N 382.441 3.738 0 40 GHAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2N2CCN(C)CC2)cc1 6418842 UAIPQOPNTOKFNY-GOSISDBHSA-N 381.520 3.969 0 40 GHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1cccc(Cl)c1 6480378 JVKDDMXHEQOLJC-UHFFFAOYSA-N 381.745 3.651 0 40 GHAB COc1ccc2c(C)c(CC(=O)Nc3cccc(C(C)=O)c3)c(=O)oc2c1OC 6661000 VFKUSESCNBRRSR-UHFFFAOYSA-N 395.411 3.502 0 40 GHAB Cc1ccccc1N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 7059419 NCYQWUZRHPMMPQ-UHFFFAOYSA-N 384.423 3.525 0 40 GHAB COc1ccc(C)cc1/C=C/C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 7073633 XPUUQXLVAYLOGG-PKNBQFBNSA-N 378.472 3.894 0 40 GHAB CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)cc1 7616941 PAQGTLUWMNJVSG-UHFFFAOYSA-N 393.472 3.608 0 40 GHAB COc1cccc(-n2c(S[C@H]3CCCCC3=O)nc3ccccc3c2=O)c1 7802646 JHCWXHAREQSERL-IBGZPJMESA-N 380.469 3.998 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)Oc3cccc4cccnc34)CC2=O)cc1 7929197 JRSXICMMJABUOT-MRXNPFEDSA-N 376.412 3.592 0 40 GHAB O=C(NCCc1ccc(F)cc1)c1cc2cc(Br)ccc2oc1=O 8037818 DWYNRXCNCLRBCG-UHFFFAOYSA-N 390.208 3.667 0 40 GHAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(OCc2cscn2)cc1 8193094 UWJCTUKSLCFBGA-LJQANCHMSA-N 393.512 3.726 0 40 GHAB CCc1ccccc1N1C[C@H](C(=O)N[C@@H]2CCSc3ccccc32)CC1=O 8315298 QSIRIWNIUYUMSI-SJLPKXTDSA-N 380.513 3.955 0 40 GHAB COc1ccc([C@H]2CCCCCN2CC(=O)NC(=O)Nc2ccccc2)cc1 8325429 VRDIBDOPFVAGIC-HXUWFJFHSA-N 381.476 3.961 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(COc2ccccc2)o1 8394216 QISREESIZLYYTQ-GOSISDBHSA-N 379.412 3.771 0 40 GHAB Cc1nnc(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)n1-c1ccccc1 8709089 DKRXQRGUGLHRFH-GOSISDBHSA-N 382.464 3.827 0 40 GHAB Cc1ccc([C@@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 8716655 PFSXTZZORGDTAA-ZHRRBRCNSA-N 393.512 3.960 0 40 GHAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCCN(C)C)c(C)c3cc2c1C 8790710 CZYCLPVCOJPCDT-UHFFFAOYSA-N 398.503 3.773 0 40 GHAB biogenic O=C(c1ccccc1)N(Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 8869861 PROIAWIRNZTCDZ-FQEVSTJZSA-N 379.481 3.669 0 40 GHAB COc1cc(C)c(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1OC 9053216 BJXOKLZILQXBPA-WBVHZDCISA-N 382.460 3.560 0 40 GHAB CCOc1cc(/C=C/C(=O)OCC(=O)NCCC(C)C)ccc1OCC(C)C 9479610 WAGPHQZMHPVSRY-CSKARUKUSA-N 391.508 3.839 0 40 GHAB O=C1c2ccccc2C(=O)N1CSc1nnc(Cc2cccs2)n1C1CC1 9504090 HVLUKNZJVHPYON-UHFFFAOYSA-N 396.497 3.611 0 40 GHAB CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1 9515598 JSHMJZGHILTPPW-UHFFFAOYSA-N 377.391 3.748 0 40 GHAB COc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)NC2CCCC2)n1 9626498 JNBVIXRJIZHZGP-UHFFFAOYSA-N 388.493 3.705 0 40 GHAB CCOC(=O)c1sc2ncn(Cc3cc(-c4ccccc4)on3)c(=O)c2c1C 11725168 VVVMWQUVMYOFHX-UHFFFAOYSA-N 395.440 3.646 0 40 GHAB O=C(NCc1ccncc1)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 12132261 PHDNAECSNZKXIE-UHFFFAOYSA-N 395.434 3.531 0 40 GHAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1c(F)cccc1Cl 12537198 BCWNZOJALYUDFV-UHFFFAOYSA-N 385.892 3.773 0 40 GHAB COc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)cc4cccnc34)CC2=O)c1 12765376 LQKZULWZYZSUGJ-AWEZNQCLSA-N 395.846 3.888 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)c1 12881663 JDBUUIVKVWLWML-UHFFFAOYSA-N 388.880 3.875 0 40 GHAB COc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12972443 DGZGMYUIPBXHJN-UVLALUNPSA-N 382.504 3.841 0 40 GHAB Cc1cccc2nc(CN[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)cc(=O)n12 12994401 WBYKJJORGVYTHA-HSZRJFAPSA-N 393.487 3.651 0 40 GHAB CCC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583620 QWESRARTLKPFLO-INIZCTEOSA-N 386.517 3.747 0 40 GHAB COCCn1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N\c1cc(C)cc(C)c1 14066683 POSRJOKQEIDOIV-LNVKXUELSA-N 397.500 3.517 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 14421360 NZXBTYQASBKYOW-UHFFFAOYSA-N 395.864 3.561 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)cc1 15176730 UVBIKKISJRLJCR-IBGZPJMESA-N 399.878 3.673 0 40 GHAB COC(=O)c1ccc(CS[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 15490333 RPBSBBIRGWOBNH-ZDUSSCGKSA-N 389.473 3.751 0 40 GHAB COc1ccc2nc(S[C@H](C)C(=O)c3ccc4c(c3)CCN4C(C)=O)[nH]c2c1 16804643 MSKOXQQCKDDEFZ-GFCCVEGCSA-N 395.484 3.844 0 40 GHAB CCOc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccccc23)cc1 17307998 YVVDNFMWXPLYED-UHFFFAOYSA-N 377.444 3.850 0 40 GHAB CCOc1ccc(-c2nnc(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)o2)cc1 17918911 FKVBOJZABKAMEA-OKILXGFUSA-N 375.494 3.732 0 40 GHAB COc1ccc2oc(C)c(C(=O)Nc3cc4c(cc3C)n(C)c(=O)n4C)c2c1 19125864 JWFAVHIDHXKMKD-UHFFFAOYSA-N 379.416 3.501 0 40 GHAB Cn1c(C(=O)NC2CCN(Cc3cccnc3)CC2)cc2cc(Cl)ccc21 19289774 HVQJBSULEPSJOM-UHFFFAOYSA-N 382.895 3.621 0 40 GHAB NC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)C2CC2)C1 19368349 RXOORKPIESDSQO-QHCPKHFHSA-N 380.463 3.539 0 40 GHAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](NC(=O)Cc2cccs2)C1 19461445 ZVWDQSSEHSWBKE-QGZVFWFLSA-N 378.501 3.973 0 40 GHAB Cc1cc(C)c2cc(CNCc3ccccc3Cl)c3nn(C)c(=O)n3c2c1 19569367 SJLLWWRUGRZIFE-UHFFFAOYSA-N 380.879 3.746 0 40 GHAB CN(C)c1ccc(C(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)cc1 19584797 NJQIRVXTWKLJLK-NRFANRHFSA-N 379.435 3.654 0 40 GHAB C[C@@H]1CCCN(c2ncc(CNCC3(c4cccc(F)c4)CCOCC3)cn2)C1 19715676 WZUOPWCXMKCAKE-GOSISDBHSA-N 398.526 3.690 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2ccc(OC)c(OC)c2)cc1 20488992 XGXQUGZNDQXKSF-UHFFFAOYSA-N 375.446 3.611 0 40 GHAB CCOC(=O)C(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 20609017 XAYQLPTUSBLVKS-UHFFFAOYSA-N 383.429 3.531 0 40 GHAB Cc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4F)cc3n2)cc1 20610006 VZAUQVNIBMFBOF-UHFFFAOYSA-N 376.391 3.886 0 40 GHAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NCC(C)C)ccc32)cc1 20765901 GEMCFNLULLKMSX-UHFFFAOYSA-N 386.517 3.522 0 40 GHAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(C)cc(C)c3)c2)nn1 21089734 RIDBIYZSHQLFBV-UHFFFAOYSA-N 383.473 3.960 0 40 GHAB CCOCCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc12 21789113 CPKIOIPYBOVVJD-UHFFFAOYSA-N 393.365 3.917 0 40 GHAB O=C1COc2ccc(NC(=O)c3ccccc3NC(=O)c3cccs3)cc2N1 23098280 LHNKGTSXKSKFCM-UHFFFAOYSA-N 393.424 3.584 0 40 GHAB COc1ccc(C)cc1CCNC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C 23696183 MPNCEDJGZPDZSK-UHFFFAOYSA-N 394.519 3.502 0 40 GHAB COC(=O)c1cccc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)c1 24166024 UWTHJVVYKGSADT-UHFFFAOYSA-N 395.484 3.826 0 40 GHAB Cc1noc(C)c1CC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1Cl 24484925 UVFLJIWBXPMFON-QGZVFWFLSA-N 378.856 3.687 0 40 GHAB O=C(c1ccccc1)c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 24696089 SFOAYXFZVMHGRW-UHFFFAOYSA-N 385.419 3.983 0 40 GHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(-c3ccn[nH]3)c2)c1 24891968 QYDKQGCDFHVATE-UHFFFAOYSA-N 390.472 3.945 0 40 GHAB CCN(CC)CCn1/c(=N/C(=O)c2cc3c(s2)CCCC3)[nH]c2ccccc21 25392528 NBHGWIYLOOMOCW-UHFFFAOYSA-N 396.560 3.993 0 40 GHAB Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 28234506 SDQLYKZTPMBTFH-VIFPVBQESA-N 389.761 3.835 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)n1cnnn1 32103600 LTWQWRMQABIHCW-HSZRJFAPSA-N 397.482 3.601 0 40 GHAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)c(O)n1 32778595 YXMIUGGYWDLWSK-UHFFFAOYSA-N 396.472 3.600 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(C(=O)N2CCCC2)cn1 32829117 OVOQCQZOTXNWQM-UHFFFAOYSA-N 375.476 3.732 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(SC)c3)ccc21 34860128 JMKOQJMPJCGMDA-UHFFFAOYSA-N 376.503 3.508 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 36666492 GUWGAZVAAOYJMJ-MRXNPFEDSA-N 386.517 3.525 0 40 GHAB O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(Nc2ccccc2)cc1 40016018 OEYBNQTVCNNRTM-UHFFFAOYSA-N 386.411 3.886 0 40 GHAB COc1ccccc1C(=O)Nc1nnc(SCc2nc3ccccc3[nH]2)s1 40311986 LEDUGSAZKAECKL-UHFFFAOYSA-N 397.485 3.968 0 40 GHAB COC(=O)c1cccc(NC(=O)c2cccc(I)c2)c1C 42342493 CLLRKNYLEPXXAP-UHFFFAOYSA-N 395.196 3.639 0 40 GHAB CN([C@@H](c1ccccc1)c1ccccn1)S(=O)(=O)c1ccc(F)c(F)c1F 42746347 KOWLQERUQJNXHY-IBGZPJMESA-N 392.402 3.909 0 40 GHAB COc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44907048 RMCSYEBZAPRLRB-FQEVSTJZSA-N 384.495 3.795 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3nc(C)c(C(C)=O)s3)no2)cc1OC 46086450 HQEBNBLIWFZBON-UHFFFAOYSA-N 387.417 3.579 0 40 GHAB C[C@H]1CN(Cc2ccccc2NC(=O)N2CCc3ccccc3C2)C[C@@H](C)O1 47569299 FADGCXSBFIJQAM-HDICACEKSA-N 379.504 3.886 0 40 GHAB C[C@H](c1nc(C2CC2)no1)S(=O)(=O)Cc1coc(-c2ccc(Cl)cc2)n1 55205618 IKTJLVTWPHHCPS-SNVBAGLBSA-N 393.852 3.931 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)NCc1ccccc1Cn1cccn1 57364661 VYQRTNKXGXOWJS-HNNXBMFYSA-N 398.894 3.710 0 40 GHAB Cc1c(O)ccc2c(CN3CCCC[C@H]3[C@H](O)c3ccccc3)cc(=O)oc12 58182616 XDXUQXVIUSCPPV-SIKLNZKXSA-N 379.456 3.895 0 40 GHAB Cc1cc2nc(SCC(=O)N[C@@H]3CCc4ccccc43)n(C(C)C)c(=O)c2[nH]1 67236168 MVSMNAYSTVPLJY-MRXNPFEDSA-N 396.516 3.510 0 40 GHAB CC(C)(C)OC(=O)N[C@H](c1noc([C@@H]2CC(c3ccccc3)=NO2)n1)C1CC1 71905136 NMAFZUFXGHJUQN-HOTGVXAUSA-N 384.436 3.911 0 40 GHAB Cc1sc2nc([C@H]3CCCN(C(=O)Cc4ccccc4F)C3)[nH]c(=O)c2c1C 72334898 JPAHVOKDATTWPF-HNNXBMFYSA-N 399.491 3.689 0 40 GHAB O[C@@H](c1nccs1)c1ccccc1N1CCN(Cc2ccc(F)cc2)CC1 72340470 DJXWRZUQWPCGTL-HXUWFJFHSA-N 383.492 3.686 0 40 GHAB O[C@H](c1ccccn1)c1cccc(F)c1N1CCN(Cc2ccc(F)cc2)CC1 72340696 PCLGYBBGTFITHW-QHCPKHFHSA-N 395.453 3.764 0 40 GHAB CCO[C@H](C)CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 72344732 IXKNIAVTYVNYBN-GOSISDBHSA-N 382.504 3.629 0 40 GHAB CC(C)c1n[nH]c(-c2nn3c(-c4ccncc4)nnc3s2)c1Br 72401652 XRRGTXKYCPVNKM-UHFFFAOYSA-N 390.270 3.524 0 40 GHAB CN(C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 83869421 YCJJQWCAIFNDFU-HOTGVXAUSA-N 397.418 3.875 0 40 GHAB c1ccc(OCCN2CCN(CCOc3ccc4ccccc4c3)CC2)cc1 84556844 PSGYBYMJKZHYQT-UHFFFAOYSA-N 376.500 3.915 0 40 GHAB CCC(=O)c1ccc(OCC(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)cc1 95444988 SIPRXPBCBYGXRZ-HNNXBMFYSA-N 393.443 3.628 0 40 GHAB COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cccc(C)c3)C2)c1 95532121 RABGBFJPUROOQK-HXUWFJFHSA-N 396.443 3.555 0 40 GHAB C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2cccc(Cn3cncn3)c2)C1 95959261 NNHXGHXKQPCPAG-HSZRJFAPSA-N 389.503 3.590 0 40 GHAB COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 95965051 OEIBZPYPNRCBQS-UWVGGRQHSA-N 394.718 3.532 0 40 GHAB CSc1cnn(-c2ccccc2)c1NC(=O)c1cn(-c2cccc(C)c2)nn1 95971649 QCPDJYYVFBYRLM-UHFFFAOYSA-N 390.472 3.736 0 40 GHAB COc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3ccoc3)CC2)cc1 96037072 DNZDEZOGXOEISS-UHFFFAOYSA-N 392.503 3.588 0 40 GHAB CCOCCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1CCOC 96037324 SRQJUEMCCUKDKD-UHFFFAOYSA-N 385.508 3.980 0 40 GHAB Cc1ccc([C@@H](CNC(=O)Nc2ccccc2C(F)(F)F)OCCO)cc1 96338430 YGUCZXXROJRTHR-QGZVFWFLSA-N 382.382 3.886 0 40 GHAB O=C(C1CCC1)N1C[C@H]2CCC[C@H](C1)C2n1nc(-c2ccccc2)ccc1=O 100726943 JHNVCALOFUHDFG-RTBURBONSA-N 377.488 3.510 0 40 GHAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106524498 MYOHYPGQYZVOMJ-GDZNZVCISA-N 381.303 3.714 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc1N1CCCC1=O 216433857 ILHRMRWNAAXKOD-UHFFFAOYSA-N 398.406 3.941 0 40 GHAB CCCCNS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)c(C(=O)O)c1 217550497 LVRLEIIVJMDEIB-CQSZACIVSA-N 376.478 3.636 0 40 GHAB CCc1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 218958103 ARZPYWCEMWRLJP-UHFFFAOYSA-N 385.851 3.990 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC(C)C)cc2C)cc1 224210202 SLDACDZALLNTFL-UHFFFAOYSA-N 388.533 3.904 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)c1 224826742 ULEPDQJKKGNBQB-RBUKOAKNSA-N 381.457 3.869 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 225568235 LOFWDHSZRZZEJB-KRWDZBQOSA-N 386.517 3.579 0 40 GHAB CCn1cc(CN2CCO[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)c(C)n1 257234364 GTFKMBNNSMPYAQ-QHCPKHFHSA-N 392.503 3.856 0 40 GHAB CC(C)(C)C(=O)N1CCC(Cc2cccc(-c3cncc(C(=O)O)c3)n2)CC1 257308630 TXLKRDUEFXAZTN-UHFFFAOYSA-N 381.476 3.669 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1 408573372 CYOZJPJQXZZAEH-INIZCTEOSA-N 386.517 3.713 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)C2CCCCC2)cc1 409003470 HEAUPOZSKVKSLO-UHFFFAOYSA-N 392.565 3.577 0 40 GHAB COc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1 409121606 WZQDCSJSCZQSBK-OAHLLOKOSA-N 390.505 3.612 0 40 GHAB Cn1nc(-c2ccccc2)c2c(NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)[nH]nc21 514620868 DCGRXQHFRMPZJG-VXGBXAGGSA-N 377.370 3.881 0 40 GHAB COc1ccc(F)c2[nH]c(C(=O)NCc3ccc(C)cc3O[C@@H]3CCOC3)cc12 527250122 HLQPSVXEWQDXGW-OAHLLOKOSA-N 398.434 3.722 0 40 GHAB O=C(NCCn1nc(-c2ccccc2)n(C2CC2)c1=O)Nc1ccc(Cl)cc1 585199375 IULFIFXAUPTUDL-UHFFFAOYSA-N 397.866 3.522 0 40 GHAB Cc1c(C)[n+](C)c([C@H](CC(=O)O)c2ccc(-c3nc4ccccc4s3)o2)n1O 604419695 VFBMBGVXGQDJEF-CYBMUJFWSA-O 398.464 3.643 0 40 GHAB COc1ccc(COCC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cn1 626853091 LHNSTMQQDAYGCM-UHFFFAOYSA-N 392.858 3.748 0 40 GHAB COc1ccc(CNC(=O)N2C[C@H](C)OC3(CCCCC3)C2)cc1OC(F)F 654371861 XOJHHVRLBYLTBR-AWEZNQCLSA-N 398.450 3.930 0 40 GHAB O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)N1CCC[C@@H]([C@H]2CCCCO2)C1 664381379 UZLBWGPAJQRKRT-GPMSIDNRSA-N 393.478 3.534 0 40 GHAB O=S(=O)(c1ccc(Br)s1)N1CC[C@@H](c2ccsc2)C1 667391819 UVVBFTWMILEEOW-SECBINFHSA-N 378.338 3.750 0 40 GHAB COCC[S@](=O)Cc1cccc(NC(=O)c2ccc(F)c3cccnc23)c1 1265219861 IOAZYLNAXFXWSK-MHZLTWQESA-N 386.448 3.521 0 40 GHAB Cc1cc(F)ccc1[C@@H](C)NC(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1565319874 QZRQYEWHOKABNC-IAGOWNOFSA-N 383.467 3.890 0 40 GHAB CCN(CC)c1ccc(CNC(=O)Nc2ccc3c(N(C)C)nccc3c2)cn1 1670366436 LLSVBTLTVYHWAF-UHFFFAOYSA-N 392.507 3.864 0 40 GHAB CCc1c(C)nc(C2CC2)nc1N1CCN(c2nc3cnccc3s2)CC1 1888909688 ISSQDSLVWWUXKR-UHFFFAOYSA-N 380.521 3.556 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncnc3ccsc23)CC1 1888914280 XEURYMBKHBTSGH-UHFFFAOYSA-N 391.500 3.626 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H](c2cccc(-c3cnn4cccnc34)n2)C1 2037843755 HSVQFJIRTBJORO-HNNXBMFYSA-N 379.464 3.906 0 40 GHAB COc1ccc(-n2c3c(cc(C(=O)NC(C)(C)C)c2=O)C(=O)CC(C)(C)C3)cc1 809759 LXNCZIHOHLKILW-UHFFFAOYSA-N 396.487 3.530 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1 1089462 PZJHITNEINPUJZ-UHFFFAOYSA-N 389.377 3.550 0 40 GHAB Cc1cc(C)c(NC(=O)CSc2nnc(NC(=O)C(C)C)s2)c(C)c1 1371447 LXOLYYBLOHHJTJ-UHFFFAOYSA-N 378.523 3.789 0 40 GHAB Cc1ccc(-n2c(S[C@@H]3CCOC3=O)nc3cc(Cl)ccc3c2=O)cc1 2619824 KZFOCIDFXYEGLJ-MRXNPFEDSA-N 386.860 3.755 0 40 GHAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1C 2723064 OVYHTSZANBMWOL-UHFFFAOYSA-N 395.484 3.991 0 40 GHAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(OC)cc2OC)c1 2723134 CJPYRHSAJUGPGL-UHFFFAOYSA-N 399.472 3.629 0 40 GHAB Cn1cc(/C=C/C(=O)Nc2cnn(Cc3c(Cl)cccc3Cl)c2)cn1 2768975 CZHTXZUPCPAARE-AATRIKPKSA-N 376.247 3.624 0 40 GHAB Cc1c(Br)c(C(F)F)nn1[C@H](C)c1nnc(-c2ccccn2)o1 2803557 WQUSGKIHOZJBBG-MRVPVSSYSA-N 384.184 3.946 0 40 GHAB Cc1cccc(-c2nsc(SCC(=O)NCc3ccc4c(c3)OCO4)n2)c1 2917564 JAVXTILWOPJAME-UHFFFAOYSA-N 399.497 3.651 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)cc2)n1 3338064 AETVZYFHFHQFFY-HXUWFJFHSA-N 378.476 3.649 0 40 GHAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(F)c(F)c1)C(C)C 3410689 GRQYRYZAADKZIM-SFHVURJKSA-N 376.403 3.757 0 40 GHAB C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccc(F)cc2)C1=O 3443897 QIPSYFOQHNTCBU-QGZVFWFLSA-N 377.213 3.555 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=O)COc3ccccc3Cl)sc2c1 4503733 GTWZDDNPSFAVHS-UHFFFAOYSA-N 375.837 3.926 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCCC2)n3C)cc1 5208055 DMBRYWUTVCYPMC-UHFFFAOYSA-N 392.503 3.538 0 40 GHAB COc1cccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CCN(C)CC2)c1 5478738 SDNOZWRWWKTFTQ-OAQYLSRUSA-N 377.488 3.969 0 40 GHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C 5667269 OZPGVIRWKFOVEP-HNNXBMFYSA-N 375.424 3.983 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 5849415 JRDGCIZLURFCSV-UHFFFAOYSA-N 382.489 3.838 0 40 GHAB Cc1ccc(NC(=O)c2ccc(I)cc2)c(C(=O)O)c1 5927227 JQTZDANCCZTHGV-UHFFFAOYSA-N 381.169 3.550 0 40 GHAB COc1ccc(C)cc1/N=C1/NC(=O)/C(=C/c2ccc(OC)c(OC)c2)S1 6189446 YEHXSVPAQYKOQC-WQRHYEAKSA-N 384.457 3.912 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(C(=O)O)cc2)cc1 6563518 HPZVPKWSKYSIBD-UHFFFAOYSA-N 386.473 3.574 0 40 GHAB CC(=O)c1ccc(-c2ccc(C(c3c(O)n[nH]c3C)c3c(O)n[nH]c3C)o2)cc1 6628357 VPXWKLGOUGHHKY-UHFFFAOYSA-N 392.415 3.804 0 40 GHAB CCc1nnc(NC(=O)c2cc(Br)c(Br)s2)s1 6654054 NXGIXTVVRKFHRM-UHFFFAOYSA-N 397.117 3.939 0 40 GHAB Cc1cc(=O)oc2c(C)c(OC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)ccc12 6825405 GTOLAYWQOXJWNT-QGZVFWFLSA-N 389.448 3.865 0 40 GHAB biogenic Cc1c(C(=O)NCc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCCCC3 6840388 AMADMYWKXHSRLD-UHFFFAOYSA-N 385.464 3.562 0 40 GHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2nc3ccc(C)cc3s2)c1 6860189 IIOSJTLGAZONCM-UHFFFAOYSA-N 387.486 3.749 0 40 GHAB Cc1ccc2nc(S[C@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1 6975474 XWQWJNRMPQZLAA-GFCCVEGCSA-N 389.502 3.606 0 40 GHAB O=C(COc1ccc(I)cc1)Nc1cccc(Cl)c1 7034772 KAXCQOFCSJINLN-UHFFFAOYSA-N 387.604 3.962 0 40 GHAB O=C(/C=C/c1ccc(OC(F)F)cc1)O[C@@H](C(=O)NC1CC1)c1ccccc1 7114042 VCGJJVPKSYZLIN-BNOPAZPUSA-N 387.382 3.864 0 40 GHAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1c(OC)cccc1OC 7418226 NNIRDCGZINPDHH-UHFFFAOYSA-N 384.384 3.984 0 40 GHAB CCOc1ccc2nc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)[nH]c2c1 7676180 LDHIXDQCJCJBPB-IBGZPJMESA-N 397.500 3.654 0 40 GHAB Cc1ccccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)CC1=O 7881482 KDMANUJJMANUCI-ZBFHGGJFSA-N 385.847 3.816 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 7882031 YKBZGBHPNIDTGK-LLVKDONJSA-N 379.243 3.994 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)c(F)c3)CC2=O)cc1 8076340 MRPFYJJJXCQAHB-ZFWWWQNUSA-N 388.414 3.594 0 40 GHAB C[C@H](NC(=O)CSc1nc(-c2ccncc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 8488835 WPSKYGKJKNZMSL-JHMRYYBSSA-N 397.548 3.680 0 40 GHAB COc1ccc(Cc2nnc(SCCCOc3ccc(C=O)cc3)n2C)cc1 8731745 REMSEVMVRPGIOQ-UHFFFAOYSA-N 397.500 3.788 0 40 GHAB CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1OC 8780446 QNOHFYGSZJEDLE-BTYIYWSLSA-N 382.460 3.839 0 40 GHAB O=C(NC[C@@H](c1cccc2ccccc12)N1CCCC1)C(=O)NC1CCCCC1 10333940 WYAPHDNWCFZHOO-QFIPXVFZSA-N 393.531 3.542 0 40 GHAB Cc1nc2ccc(Cl)cc2cc1C(=O)OCc1cc(=O)n2ccsc2n1 10468490 SGQFUUGSURSSOH-UHFFFAOYSA-N 385.832 3.623 0 40 GHAB CCc1ccc([C@@H](N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C(C)C)cc1 11049971 YPTBELNAMXDQCL-XOBRGWDASA-N 380.492 3.733 0 40 GHAB CCn1c([C@@H](CC(C)C)NC(=O)Cc2ccccc2OC)nc2cccnc21 12114138 GDKCHSROBHFKDN-GOSISDBHSA-N 380.492 3.906 0 40 GHAB CC(C)c1nnc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)s1 12470648 JIQNHJGOVSUYHB-ZDUSSCGKSA-N 393.900 3.950 0 40 GHAB Cc1ccc([C@H](NC(=O)CCNC(=O)c2ccco2)c2ccccc2)cc1C 12801540 SOSLIZJGTFJPRU-JOCHJYFZSA-N 376.456 3.922 0 40 GHAB Cc1ccc(C)c(NC(=O)CN(C)CC(=O)Nc2cccc3ccccc23)c1 12851666 MPQOMBRBLLAQKR-UHFFFAOYSA-N 375.472 3.966 0 40 GHAB CC(=O)N[C@H](C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1)C(C)C 12865564 KIOVWXZVMHFYEV-INIZCTEOSA-N 379.913 3.795 0 40 GHAB Cc1csc2nc(CN3CC=C(c4c[nH]c5ccccc45)CC3)cc(=O)n12 12900710 QYPKUCSZANVFSU-UHFFFAOYSA-N 376.485 3.835 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1c(C)nn(-c2ccccc2)c1Cl 12905973 WHTSMJVFZGRJMY-UHFFFAOYSA-N 396.878 3.819 0 40 GHAB CCOc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(C)c(C)c2)cc1 12920575 XABNTKODACEWSX-OAQYLSRUSA-N 380.488 3.796 0 40 GHAB O=C(Nc1ccc(OCC(F)(F)F)cc1)[C@H]1CCCN1C(=O)c1ccccc1 13022416 NBLNMKBAXHTKFD-QGZVFWFLSA-N 392.377 3.871 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)N1CCC(c2nc3ccccc3o2)CC1 13022685 MGPOBWBOLPHYPT-UHFFFAOYSA-N 378.428 3.895 0 40 GHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1ccc(OC)cc1 13057234 MNTMDSJNCVYZPX-UHFFFAOYSA-N 399.878 3.566 0 40 GHAB Cc1ccccc1CC(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCCC3)ncc21 13227656 JGJKBOOSCBKASY-IBGZPJMESA-N 378.520 3.758 0 40 GHAB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1OCC 13670507 BFDGQWYTCZHZHH-CQSZACIVSA-N 381.469 3.804 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1SC)N(c1ccc(F)cc1)S(C)(=O)=O 13715762 LNXFRLNVYHFKLI-MRXNPFEDSA-N 396.509 3.731 0 40 GHAB CCc1nnc2sc(-c3ccc(CNC(=O)c4ccccc4Cl)cc3)nn12 13954820 MJMZWSOBXAGPTQ-UHFFFAOYSA-N 397.891 3.999 0 40 GHAB Cc1cc(N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)nc(C(C)C)n1 16103500 JRRXXPDELSNRAU-UHFFFAOYSA-N 389.503 3.662 0 40 GHAB Oc1cccc(N2CCN(C(=S)Nc3ccc(C(F)(F)F)cc3)CC2)c1 17077934 QFDFNEXBLAFNER-UHFFFAOYSA-N 381.423 3.930 0 40 GHAB CC(=O)N(C)C1CCC2(CC1)CN(Cc1cccc(C)n1)Cc1ccccc1O2 19236341 AGHAHFUWVIVHDD-UHFFFAOYSA-N 393.531 3.944 0 40 GHAB C[C@H](Cn1cnc2ccccc21)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 19457692 USRRHDYROXXLNE-MRXNPFEDSA-N 381.451 3.882 0 40 GHAB Cc1nnsc1C(=O)N1CCC[C@H](c2cc(C(F)F)c3c(C)noc3n2)C1 19564041 LYXAUWYLMXZEGA-JTQLQIEISA-N 393.419 3.649 0 40 GHAB Cc1nn(C)cc1-c1cc(C(=O)Nc2cccc(CN3CCCC[C@H]3C)c2)n[nH]1 19718741 CWNOMJWGWPWXSX-OAHLLOKOSA-N 392.507 3.745 0 40 GHAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 20484925 FKWFIIPFUYZWIE-UHFFFAOYSA-N 394.515 3.959 0 40 GHAB COc1ccc(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1OC 20487626 KVCGLFMEMGBLSJ-KRWDZBQOSA-N 382.504 3.866 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 20491987 YNILGZLHJRHHDX-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)c(OC)c1 20493492 IVAYDBZVYIVGQR-GFCCVEGCSA-N 377.462 3.840 0 40 GHAB CCc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@@]21NCCO1 22362802 VLKMYKHTGWTPPD-DNQXCXABSA-N 376.500 3.857 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1nc2ccccc2s1 22878380 SMLOHVDTUFVYRW-CQSZACIVSA-N 392.488 3.780 0 40 GHAB FC(F)n1c(=S)n(CN2CCN(Cc3cccnc3)CC2)c2ccccc21 22924364 UYZOFEBEVCOFPX-UHFFFAOYSA-N 389.475 3.738 0 40 GHAB CCC[C@@H](NC(=O)[C@@H](C)Nc1ccc(NS(C)(=O)=O)cc1)c1ccccc1 23628697 IUPYBNNPBWTWPD-DNVCBOLYSA-N 389.521 3.516 0 40 GHAB O[C@H](COc1ccc(Cl)cc1Cl)CN1CCN(c2ccccc2)CC1 25462065 UONWESCGKPXICS-KRWDZBQOSA-N 381.303 3.555 0 40 GHAB O=C(Nc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)s1)c1ccco1 26998318 CWOXKFYXMAGMQR-UHFFFAOYSA-N 395.440 3.738 0 40 GHAB CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)C)cc2)s1 30008668 ASINDDRVQSOKCQ-ZDUSSCGKSA-N 380.535 3.547 0 40 GHAB COCCN(C(=O)CCc1ncc(-c2ccc(C)c(C)c2)o1)[C@H]1CCSC1 32817452 ZVWARABDXZOSED-SFHVURJKSA-N 388.533 3.872 0 40 GHAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1csc(-c2cccs2)n1 32823473 WUTVOPJAPZTWFK-MRXNPFEDSA-N 399.541 3.675 0 40 GHAB Cc1cccc2sc(NC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)nc12 32994685 QEDVDKBZZOKPHG-MRXNPFEDSA-N 379.485 3.634 0 40 GHAB COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1COc1ccc2c(c1)CCC2 36612337 ZKMRWIFLXLNFGU-QUCCMNQESA-N 385.485 3.551 0 40 GHAB Cc1cnn(CCCNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1 36614148 XJZZQKMFUASEQY-UHFFFAOYSA-N 393.422 3.662 0 40 GHAB CCCCN(C)C(=O)Cn1c([C@@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21 39389291 CMCXGKMORFRIJE-QGZVFWFLSA-N 396.535 3.553 0 40 GHAB COc1ccc(Cl)cc1NC(=O)COc1ncnc2sc(C)c(C)c12 39562428 ULODGTFHQMUZSN-UHFFFAOYSA-N 377.853 3.988 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(C)C[C@H]1c1ccccc1 40013026 VWISOAOAQSXFOM-QFIPXVFZSA-N 382.552 3.604 0 40 GHAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NC[C@@H]1CCOC1 40091085 VYRYPADPBRNFKG-INIZCTEOSA-N 380.444 3.790 0 40 GHAB C[C@@]1(c2cccc(NC(=O)c3cc4c(s3)CCCCCC4)c2)NC(=O)NC1=O 40111237 LOBGSYSVFXDGHS-NRFANRHFSA-N 397.500 3.714 0 40 GHAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc(-c2ccccc2Cl)cs1 45954656 ZEEYNQGSUFGSPB-UHFFFAOYSA-N 396.863 3.620 0 40 GHAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)s1 48332366 UNUHJIKPXPVUSZ-UHFFFAOYSA-N 393.940 3.699 0 40 GHAB COc1cc(CNC(=O)c2cc(F)ccc2F)ccc1OCc1ccncc1 48332539 UGEWJSLRZVZZRA-UHFFFAOYSA-N 384.382 3.877 0 40 GHAB O=C(CCCc1cccs1)Nc1ccc2c(ccn2CCN2CCOCC2)c1 51420539 HYVCRUJCEYVYBC-UHFFFAOYSA-N 397.544 3.996 0 40 GHAB COc1ccccc1-c1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)no1 53802043 FBECYVFPMHESEL-CYBMUJFWSA-N 391.427 3.726 0 40 GHAB Cc1nn(C)c2sc(C(=O)N3CCN(Cc4ccc(Cl)s4)CC3)cc12 54636591 YFMNEUVZFKHXHH-UHFFFAOYSA-N 394.953 3.616 0 40 GHAB CC(C)CCn1c(SCC(=O)NCc2ccco2)nc2ccsc2c1=O 57425983 BGSCWKGARYYJGC-UHFFFAOYSA-N 391.518 3.506 0 40 GHAB CCOC(=O)CN(C(=O)CN1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 58062928 SYVFLIRNMBNSPH-HXUWFJFHSA-N 384.451 3.559 0 40 GHAB COc1ccc(OC)c(NC(=O)C[C@H]2Sc3cc(OC)ccc3N=C2O)c1 61720171 FNTQKLFDGZQMDZ-QGZVFWFLSA-N 388.445 3.804 0 40 GHAB O=c1[nH]c(CNc2cccc(Cl)c2)nn1Cc1cccc(C(F)(F)F)c1 66087628 BBVVCRMDJCBLIJ-UHFFFAOYSA-N 382.773 3.904 0 40 GHAB Cc1ccc(Cn2nccc2NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 69898127 DYDNBLXXLGRHKH-UHFFFAOYSA-N 388.471 3.615 0 40 GHAB O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@@H]1CCCN1c1nccs1 69963075 SQBDBRDOIWPHRK-HOTGVXAUSA-N 393.459 3.907 0 40 GHAB COC(=O)[C@H](C)[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)c1ccccc1 72310568 XMACIAVNAUBFNU-QRWLVFNGSA-N 378.428 3.551 0 40 GHAB O=C(Cc1ccccn1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 72358856 QLBDTNCMEPSXRL-INIZCTEOSA-N 376.435 3.626 0 40 GHAB O=C(c1cscn1)N1CCC[C@@H](c2cncc(Oc3cccc(F)c3)n2)C1 72362643 RPJHORHDEZGATL-CYBMUJFWSA-N 384.436 3.884 0 40 GHAB Cc1ccc2c(CC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)coc2c1 89665677 DWDXDIDEZARGPM-UHFFFAOYSA-N 389.455 3.790 0 40 GHAB Cn1ccnc1C1(O)[C@@H]2CCC[C@@H]1CN(Cc1ccc(Cl)c(Cl)c1)C2 100149883 NEWARMKUVZKCRX-HUUCEWRRSA-N 380.319 3.847 0 40 GHAB CC(=O)N[C@@H]1C(=O)N(CCOc2ccc(Cl)cc2Cl)c2ccccc21 100485402 QJZCYLUEQXAPCR-KRWDZBQOSA-N 379.243 3.596 0 40 GHAB Cc1nc(C)n([C@@H](C)Cc2cc(O)n3nc(-c4cccc(Cl)c4)cc3n2)n1 100776220 AKWGHTNNZSMYEM-NSHDSACASA-N 382.855 3.767 0 40 GHAB CC(=O)Nc1ccc(O)c(C(=O)NCC23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1 103733961 QVKYJGRUHPUNLF-RCRDTURJSA-N 376.884 3.658 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(I)cn1 105867163 RMUBHHAMVINLBB-FPYGCLRLSA-N 384.604 3.992 0 40 GHAB O=C1/C(=C/c2cc(Cl)c3c(c2)OCCO3)NC(=S)N1c1ccccc1F 170052432 WYBPPWDXCALOKA-JYRVWZFOSA-N 390.823 3.513 0 40 GHAB CC(C)c1ccc(NC(=O)C(=O)NCc2ccc([C@H](O)c3ccco3)s2)cc1 206687651 UCTIMZMRHYMONZ-LJQANCHMSA-N 398.484 3.801 0 40 GHAB O=S(=O)(c1cccs1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207017989 XKKHVRUBICOMPM-GFCCVEGCSA-N 395.531 3.503 0 40 GHAB CC(C)(C)Nc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)O 217585199 NEYMPMXMUPRPEF-UHFFFAOYSA-N 380.510 3.764 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c(C)c1 219171561 KDXXYVDZBDDVBE-SFHVURJKSA-N 388.533 3.727 0 40 GHAB CC[C@H](C(=O)NCCC1=CCCCC1)N(c1cc(C)ccc1C)S(C)(=O)=O 220540223 BSLTVBUBKJKYTN-LJQANCHMSA-N 392.565 3.855 0 40 GHAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)O)o1 222758514 BLNMZYDDAONELT-QZTJIDSGSA-N 379.441 3.642 0 40 GHAB CN(c1ccc(C(=O)NCC2CCCCC2)cc1)S(=O)(=O)c1cccs1 224238309 ZYERIFBYZINKKP-UHFFFAOYSA-N 392.546 3.883 0 40 GHAB O=C(COc1cccc2c1CCCC2)NCc1ccc(CN2CCCC2)cc1 224516533 NOKQFBOWBUBPFB-UHFFFAOYSA-N 378.516 3.856 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F 225281234 FZXXKKPLMKMVCR-FQEVSTJZSA-N 388.458 3.841 0 40 GHAB Cc1cc(NC(=S)NC(=O)c2cccc(F)c2)cc(Br)c1O 226243698 NVBVMZITUVAYRY-UHFFFAOYSA-N 383.242 3.729 0 40 GHAB Cc1cc(Nc2ccnc(C[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)n2)[nH]n1 257223798 DYXZPOGMMGCLBT-OAHLLOKOSA-N 386.500 3.831 0 40 GHAB O=C(O)c1ccccc1-c1ccc(CN2CCCC[C@@H]2c2cc(CO)[nH]n2)o1 257271821 MZXSELQRORIUMJ-LJQANCHMSA-N 381.432 3.587 0 40 GHAB Cc1ccsc1C(=O)N1CC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306134974 ODMUJNUFJVZLDF-KRWDZBQOSA-N 389.484 3.791 0 40 GHAB Cc1ccccc1OCC(=O)Nc1ccc(I)cc1F 408623983 WBSOHTPEOZRVNE-UHFFFAOYSA-N 385.176 3.756 0 40 GHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3O)[C@](O)(C(F)(F)F)[C@H]2C1 409103639 DQSWRRAAEPVBHN-SUFBMKPHSA-N 384.398 3.917 0 40 GHAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(N2CCc3ccccc32)CC1 503389616 ZJTXTPBMHWMMCL-SFHVURJKSA-N 395.522 3.700 0 40 GHAB CN(C)c1ccc(-c2noc(-c3cccn(Cc4ccccc4)c3=O)n2)cc1F 545739545 ZKFHPLKWBAJIHH-UHFFFAOYSA-N 390.418 3.819 0 40 GHAB O=C(c1ccc2nn[nH]c2n1)N1CCC(c2c(Cl)cccc2Cl)CC1 564062043 AIBTVJBPIAKXTD-UHFFFAOYSA-N 376.247 3.680 0 40 GHAB Cc1nn(CCNC(=O)c2cc(-c3ccccc3)nn2C)c(C)c1-c1ccco1 575614789 HWEZPSAVOKNPNX-UHFFFAOYSA-N 389.459 3.590 0 40 GHAB COc1cccc(C2(NC(=O)Nc3ccc4ccn(C)c(=O)c4c3)CCC2)c1 585101423 LAWBJTMRHVVVNH-UHFFFAOYSA-N 377.444 3.748 0 40 GHAB Cc1cc(C)cc(C(=O)N2CC[C@]3(CCC[C@H]3C(=O)N[C@@H]3CCC3(F)F)C2)c1 585107369 UBFDXFORVQFUCR-WAOWUJCRSA-N 390.474 3.850 0 40 GHAB Cc1cc(C(=O)N2CCC(c3nnc4ccc(C(C)(C)C)nn34)CC2)c(C)o1 585581098 LCQHBWLMKAXWPL-UHFFFAOYSA-N 381.480 3.651 0 40 GHAB O=C([C@@H](c1ccccc1)N1CCO[C@H](c2ccccc2F)C1)N1CCCCC1 589598852 IZLZVDSGABIASR-FCHUYYIVSA-N 382.479 3.953 0 40 GHAB O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC(Oc2ccccc2)C1 589991638 FWMMLKYSYQQPAF-UHFFFAOYSA-N 398.260 3.743 0 40 GHAB O=C(N=c1cc([C@H]2CCCO2)[nH][nH]1)C1(c2cccc(OC(F)(F)F)c2)CCC1 616823283 KRMONQVWNGATLP-OAHLLOKOSA-N 395.381 3.642 0 40 GHAB O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc2c(c1)CCOC2 659124372 HWJRFTIXEKHRMB-UHFFFAOYSA-N 393.361 3.505 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3cccc(F)c3F)C2)CN1c1ccc(F)cc1 1615131214 SGWJHFHXQFODFM-OAQYLSRUSA-N 390.405 3.502 0 40 GHAB Cc1nc2ccccc2n1C1CN(C(=O)c2cc(-c3ccc(F)cc3)nn2C)C1 1775974262 ONFJKZPWAYVGGB-UHFFFAOYSA-N 389.434 3.581 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)cc1F 2037912722 WXXXAGJVZVYTQN-NRFANRHFSA-N 375.415 3.709 0 40 GHAB Cc1ccsc1CN1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1 2055739027 IRBQEBUEHSJKCR-UHFFFAOYSA-N 387.524 3.921 0 40 GHAB O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)Nc1cccc2ccccc12 646329 QBNVTZTXMBPALK-UHFFFAOYSA-N 390.468 3.524 0 40 GHAB COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1 1362850 SXQUWYSEMHKPSL-INIZCTEOSA-N 381.407 3.904 0 40 GHAB Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1nnc(C2CC2)s1 2778281 VZQNSSAOWFZRSD-ZCFIWIBFSA-N 379.795 3.792 0 40 GHAB CCn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2ccc(C)nc21 12407662 RAQCWNHECZFBCK-UHFFFAOYSA-N 389.499 3.820 0 40 GHAB COC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 103940714 HQHCWBYDIBJKIW-HNNXBMFYSA-N 379.416 3.912 0 40 GHAB O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)C12CC3CC(CC(C3)C1)C2 4945362 VVOUWFWRAPBHFW-UHFFFAOYSA-N 376.503 3.568 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2C)cc1 6139843 ZRDFZRPGSKXXFH-ZDUSSCGKSA-N 395.488 3.560 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 6944952 RPUXGERTBZSCRI-GOSISDBHSA-N 388.533 3.804 0 40 GHAB COc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 806760 OXOZFJKNDYLPHF-LLVKDONJSA-N 379.243 3.994 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 7881417 KKXVDAMNERIHGF-MJGOQNOKSA-N 379.456 3.779 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 7928013 KRYWJFWOVYLRES-GOSISDBHSA-N 394.471 3.862 0 40 GHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)CC1=O 7928228 FEFDXHQNSFTGGG-SFHVURJKSA-N 393.487 3.761 0 40 GHAB Cn1c(Cl)cnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 23290541 CBGKGMJKKUUNDI-UHFFFAOYSA-N 380.923 3.981 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1Cl 940455 KAFFMXSTZIEWSZ-GOSISDBHSA-N 395.850 3.868 0 40 GHAB CCCNC(=O)C1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 42685661 FHWZXSNRPPZPAL-GFCCVEGCSA-N 386.323 3.559 0 40 GHAB Cc1ccn2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)nc2c1 24353120 QTGIBGFQLHQIDL-UHFFFAOYSA-N 391.258 3.660 0 40 GHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(OC)cc1)CC3 24743521 VGMVRASPNYTQBV-UHFFFAOYSA-N 379.416 3.553 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 24974377 RBQRNLYXHZKZJD-NRFANRHFSA-N 397.438 3.802 0 40 GHAB CC[C@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(C)cc1 24989217 ROGHNNQHLSGVAF-IRLDBZIGSA-N 393.531 3.913 0 40 GHAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(C)c4C)CC3)n2)cc1 25105406 PSQBNHWXLMVLOT-UHFFFAOYSA-N 390.487 3.620 0 40 GHAB CCc1ccc([C@@H](NC(=O)Cn2cccc(C(F)(F)F)c2=O)C(C)C)cc1 25249522 IFBYRWSNGRPYNL-SFHVURJKSA-N 380.410 3.943 0 40 GHAB CCOc1ccc2nc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)sc2c1 25895820 UGTNHFRHMONAKI-UHFFFAOYSA-N 397.456 3.597 0 40 GHAB CC(=O)Nc1ccc(NCc2cc(=O)n3cccc(C)c3n2)c(C(F)(F)F)c1 12528039 OINRSRJQUTYPPT-UHFFFAOYSA-N 390.365 3.592 0 40 GHAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1ncc(-c2ccc(F)cc2)o1 12599302 YBKXWNVJWABXIS-FQEVSTJZSA-N 397.431 3.826 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c(OC)c1OC 20048352 JWMAPJKLIQYJOJ-OAHLLOKOSA-N 387.476 3.920 0 40 GHAB COc1cc(Br)c(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1OC 108173831 QTVSEPITZHHBAR-DZGCQCFKSA-N 386.330 3.695 0 40 GHAB COC(=O)N1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 57445470 DQHNMOAVZBXTCZ-UHFFFAOYSA-N 385.445 3.517 0 40 GHAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 3290401 CPMOTDIYUBEEAI-UHFFFAOYSA-N 393.892 3.682 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC 1962563 AGGUNNATCJNMEO-RMKNXTFCSA-N 389.835 3.861 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCCc2cc(C(F)(F)F)ccc21 58010613 YYPWIHVPYHSYNM-UHFFFAOYSA-N 383.391 3.782 0 40 GHAB Cc1ccc(NC(=O)CN2CCN(CCc3cccs3)CC2)c(Cl)c1 58178199 GDXWEUOODMSCRJ-UHFFFAOYSA-N 377.941 3.509 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccc(F)cc1 105093600 PTXWTRHZXVVVLE-INIZCTEOSA-N 376.840 3.582 0 40 GHAB Cc1ccc(N2CCN(c3ncnc4c3cnn4-c3cccc(C)c3)CC2)cc1 27816371 KFMZBDKTASTJLK-UHFFFAOYSA-N 384.487 3.759 0 40 GHAB Cc1csc([C@](O)(CC(=O)NCC2(c3ccccc3)CCC2)C(F)(F)F)n1 58406988 YFIFGCWHIXMFEH-GOSISDBHSA-N 398.450 3.830 0 40 GHAB Cc1c(C(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)oc2ccccc12 12784749 ZRXFTMKPCIGKBB-UHFFFAOYSA-N 398.484 3.585 0 40 GHAB COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2cc(C)ccc2C)c1 2257221 ZEWKRRMTDUSAMS-UHFFFAOYSA-N 383.444 3.847 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 58005220 VWAKSKKDCKJKTR-RYUDHWBXSA-N 395.322 3.815 0 40 GHAB COc1cccc(OC)c1C(=O)OCCOc1ccc(Br)cc1 3311954 QGSWTSWETGHDLX-UHFFFAOYSA-N 381.222 3.702 0 40 GHAB C[C@H](NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103130349 CQXMBIFZBHZLIH-DGAVXFQQSA-N 397.924 3.849 0 40 GHAB COc1ccc(CCNc2ncnc3c2cnn3-c2cccc(C)c2)cc1OC 2369493 HYNZFVSNCNUFNZ-UHFFFAOYSA-N 389.459 3.796 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 11198835 SGZZBVXMJYEGAG-UHFFFAOYSA-N 391.452 3.657 0 40 GHAB O=C(COC(=O)CCc1nc2ccccc2s1)NCc1ccccc1Cl 3316879 GCLKOCVPFSPWTJ-UHFFFAOYSA-N 388.876 3.742 0 40 GHAB CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 3351060 YHMWGXYETFTREW-CYBMUJFWSA-N 396.818 3.533 0 40 GHAB CCN(CC)CCCNc1nc(SC)nc2sc3c(c12)CCN(C)C3 2436100 RPRDZWZKRFBFLT-UHFFFAOYSA-N 379.599 3.545 0 40 GHAB CCCN1C(=O)[C@](O)(CC(=O)c2cccc(Br)c2)c2ccccc21 2488441 OQWPNRIBMYBODP-IBGZPJMESA-N 388.261 3.666 0 40 GHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(Cl)ccc1OC)CC3 29157832 GUQYWRRLXFAVKB-UHFFFAOYSA-N 398.846 3.815 0 40 GHAB Cc1nc(C2(NC(=O)/C=C/c3cc(Cl)c4c(c3)OCO4)CCCCC2)no1 48311971 OWTJCBSQKULBTO-AATRIKPKSA-N 389.839 3.749 0 40 GHAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccc(Br)s1 12875127 UOABBNFKKNCTEJ-ZDUSSCGKSA-N 387.299 3.680 0 40 GHAB Cn1c2c(s/c1=N\S(=O)(=O)c1ccc(Cl)cc1)CCc1ccccc1-2 409197636 KXSCRXUJWRXCJD-ZZEZOPTASA-N 390.917 3.795 0 40 GHAB CCCCCCOc1ccc(C(=O)N[C@H](C(N)=O)c2ccccc2)cc1OC 8982507 BBSVUKOJGBIPRH-FQEVSTJZSA-N 384.476 3.611 0 40 GHAB Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1 12942224 BIGNUXYTLOSCNU-SFHVURJKSA-N 394.515 3.690 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1 12924485 SXNOYEKJLOGTNO-UHFFFAOYSA-N 398.509 3.955 0 40 GHAB CC[C@H](NC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 20108563 LXQAPKXSSIZWRA-OALUTQOASA-N 392.496 3.638 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2nc3c(C)cccc3s2)cc1 13040617 LSCIRGTYNKOTGP-UHFFFAOYSA-N 376.459 3.582 0 40 GHAB O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 38580527 HGQALENYTABBSJ-OAQYLSRUSA-N 395.455 3.795 0 40 GHAB Cc1ccc(O)c(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 72015672 MYWCVCHSZPPHKO-CQSZACIVSA-N 392.377 3.707 0 40 GHAB O=C(NCCCN1CCCC1=O)c1cc(-c2cccs2)nc2ccccc12 5048415 SIOCTNSZMHJKRG-UHFFFAOYSA-N 379.485 3.706 0 40 GHAB NC(=O)CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 14200240 GYQKTVLJVVGZJE-UHFFFAOYSA-N 376.431 3.944 0 40 GHAB O=C(COC(=O)c1ccccc1OCc1cscn1)Nc1ccc(F)cc1 6586206 MENZRYZPWQZLQR-UHFFFAOYSA-N 386.404 3.657 0 40 GHAB C[C@@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc2c(c1)OCCO2 6588956 KITHUMMNYQPSLA-CYBMUJFWSA-N 383.835 3.830 0 40 GHAB CCc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccccc2)cc1 6811926 KXUPZCOUFRXALC-MOPGFXCFSA-N 393.516 3.801 0 40 GHAB COc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1Cl 67205758 ZEUXTENQTDKVLV-UHFFFAOYSA-N 383.835 3.519 0 40 GHAB Cc1c(F)cccc1/N=c1\oc2cc(O)ccc2cc1C(=O)NC[C@H]1CCCO1 67298890 SEJRGQCQCLZCCR-WGJYXZIMSA-N 396.418 3.727 0 40 GHAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2s1 9481015 QKICRDZWGFTWSD-UHFFFAOYSA-N 397.500 3.683 0 40 GHAB CC(C)c1cccc(C(=O)N2CCO[C@@]3(CCCC[C@H]3N3CCCC3)C2)c1O 306124319 BMOWRXCBCTWGEJ-OFNKIYASSA-N 386.536 3.765 0 40 GHAB CC(=O)Nc1cccc(C(=O)NCCCCCc2nc(-c3cccs3)no2)c1 16786506 PXMGRNLKOOMCNX-UHFFFAOYSA-N 398.488 3.899 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 17081089 GHVAIECXQDEJKR-UHFFFAOYSA-N 396.516 3.762 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 9514854 XEBNSUNKVIAHFE-IBGZPJMESA-N 383.883 3.595 0 40 GHAB COc1ccc(/C=C(\C(=O)O)c2ccc(I)cc2)cc1 8731857 FMDOSJHQLARFRC-GDNBJRDFSA-N 380.181 3.925 0 40 GHAB O=C(NCc1cccnc1)C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 71874392 WYAPSAASGZAESE-UHFFFAOYSA-N 397.475 3.604 0 40 GHAB Cc1cc(CC(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)Cc3ccccc32)no1 95441544 MCJISPMBGGMHGR-AWEZNQCLSA-N 385.464 3.698 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CN(C)C1CCN(C)CC1)c1ccccc1 75572901 CBECBVPLNIGGLQ-COPCDDAFSA-N 386.584 3.632 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219329997 SPQFWWQDHPROJN-SFHVURJKSA-N 387.476 3.803 0 40 GHAB COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)c2ccco2)c(C)c1 670164100 GJSGLUQLJYWHNQ-MRXNPFEDSA-N 377.487 3.769 0 40 GHAB COc1ccc(CN2C(=O)c3ccccc3N[C@@]23C(=O)N(C)c2ccccc23)cc1 72448806 DRWMVJORJHUMBD-XMMPIXPASA-N 399.450 3.593 0 40 GHAB Cc1cc(C)n(CCCNC(=O)c2cc3occc3n2Cc2ccccc2)n1 36360600 JDYJMQWVINEJLW-UHFFFAOYSA-N 376.460 3.916 0 40 GHAB O=S1(=O)C[C@H]2N=C(SCc3ccccc3)N(c3ccc(Cl)cc3)[C@@H]2C1 32640579 VPYAXLIUALVDPY-IAGOWNOFSA-N 392.933 3.615 0 40 GHAB O=C(Cc1cccnc1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 72358821 UFWGXTNMBSAMQU-GOSISDBHSA-N 376.435 3.626 0 40 GHAB Cc1nccn1-c1cncc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 72378557 HUTPMBBBNYCLTE-HXUWFJFHSA-N 375.476 3.657 0 40 GHAB COc1c(C)cccc1CN1CCC[C@@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 72398569 OEQRTXAFJKWUBA-KNQAVFIVSA-N 393.531 3.878 0 40 GHAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(OC)cc3OC)o2)c1 224847193 ZFIYFUCTMQFOQZ-UHFFFAOYSA-N 382.416 3.939 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 223578913 NCZGQXAGVFKRSV-IBGZPJMESA-N 382.504 3.707 0 40 GHAB C[C@@H]1O[C@H](C)[C@H](NCc2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)[C@@H]1C 528759077 SKWCQOLKLIHBGM-QPSSLKIMSA-N 387.480 3.692 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@H](O)c3cc(F)ccc32)cc1OC(F)F 529003908 YWERTNQQZSXXDG-INIZCTEOSA-N 395.377 3.839 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(SC)c1)N(c1cccc(C)c1)S(C)(=O)=O 220505441 QTDIWEJVOJYUPP-SFHVURJKSA-N 392.546 3.900 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1Cl 223670030 YHBCYQWKLUVUOG-INIZCTEOSA-N 388.895 3.581 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)cc1 44035573 FIZCQJDTJPJWJZ-UHFFFAOYSA-N 394.393 3.947 0 40 GHAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1nc(C(F)(F)F)cs1 47899777 OZZFXFLIXAPNAD-FPYGCLRLSA-N 381.379 3.706 0 40 GHAB CCC[C@@H](C)NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 224425762 LHYLIAXUISIZGP-QGZVFWFLSA-N 388.533 3.734 0 40 GHAB COc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)cc1OC 225456683 HLLXZGBNYSLGJA-UHFFFAOYSA-N 382.489 3.685 0 40 GHAB CC[C@H](C)NC(=O)CSc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 223397006 PMNMXVNADCHRMP-HNNXBMFYSA-N 392.546 3.519 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCCN2CCC(C)CC2)cc1C(C)C 225113158 BKGCSCCPPAHSDW-UHFFFAOYSA-N 382.570 3.527 0 40 GHAB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 40112182 YPPOYDCUORZAEY-ZDUSSCGKSA-N 393.318 3.747 0 40 GHAB CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C)cc1 222750341 YAGYORZVFHMVIW-VQTJNVASSA-N 377.517 3.541 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)C1CC1 582520021 VSARETVQCCPCTB-IBGZPJMESA-N 397.454 3.741 0 40 GHAB COc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1O 95480553 CXILLNLOENIVOB-QGZVFWFLSA-N 389.477 3.820 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2C[C@H]2C)c1 245285846 ZAHNVXRVXVZLPT-PBHICJAKSA-N 388.489 3.505 0 40 GHAB COC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253491073 LBPKNGBNCCAHKH-JWDNPJORSA-N 390.520 3.929 0 40 GHAB O=C(O)CN(CCc1ccccc1)C(=O)c1ccnc(Cc2cccc(F)c2)c1 257200407 ADDVFIGSIFPUHB-UHFFFAOYSA-N 392.430 3.581 0 40 GHAB COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)NCC[C@H]1CC1(F)F 621417128 NSNXHYKNAJCMCT-HNNXBMFYSA-N 395.450 3.878 0 40 GHAB CCOC(=O)c1cnn(-c2cccc(NC(=O)[C@H]3Cc4ccc(F)cc43)c2)c1C 619428041 UNHCRCRYLJSSHL-IBGZPJMESA-N 393.418 3.775 0 40 GHAB Cc1ccncc1CC(=O)N(C[C@H]1CCCO1)c1ccc(Br)cc1 622788653 JXZDJAMMONXTKC-GOSISDBHSA-N 389.293 3.907 0 40 GHAB C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)C1 623221094 HTDFYUNWYINKME-GWCFXTLKSA-N 398.454 3.957 0 40 GHAB Cc1cc(C)n(-c2nc(CCNC(=O)Nc3cccc(Cl)c3)cs2)n1 90609366 WKQDEQRNBBVVLV-UHFFFAOYSA-N 375.885 3.963 0 40 GHAB CCC[C@H](CNC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C)OCC 1233698845 JMCOHDOFLGDRJD-YOUFYPILSA-N 375.557 3.885 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2CNN(c3ccc(Cl)cc3)C2=O)cc1Cl 1740818255 PKTLALBGYOHKAQ-GFCCVEGCSA-N 378.259 3.798 0 40 GHAB Cn1nnc2c1CC[C@@H](NC(=O)Nc1cccc(-c3cccc(Cl)c3)c1)C2 585090848 QRCNGWGZHRDGMA-QGZVFWFLSA-N 381.867 3.815 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCCc2ccccc2OC)[C@@H]1c1ccccc1C 585168467 IIIPLMGDUVKJFR-OFNKIYASSA-N 394.515 3.662 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@@H](C)C2)C3)s1 585104588 QUZBAIWXQTXYRT-CRAIPNDOSA-N 391.581 3.503 0 40 GHAB CCOc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1 72393060 UGIGLVWZMDTSGC-IBGZPJMESA-N 390.487 3.610 0 40 GHAB CCOc1ccc(/C=C2\SC(=N)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 5953718 DZSOYVAYTMOPPD-OBXFPTNVSA-N 398.440 3.878 0 40 GHAB CC[C@@H](C(=O)NC1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714558 SPXJCSKJMVZOMN-KRWDZBQOSA-N 386.945 3.724 0 40 GHAB COc1ccc(-c2ccc(C(=O)O)o2)c(NC(=S)NC(=O)c2ccccc2)c1 226355158 GHJUMQUUQKVGBB-UHFFFAOYSA-N 396.424 3.780 0 40 GHAB CNc1nnc(SCc2nnc(-c3ccccc3Br)o2)s1 7101856 JFMQHKXZPQGJCJ-UHFFFAOYSA-N 384.284 3.685 0 40 GHAB Fc1ccc(CN2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)c(F)c1 1888863848 IPLIQDZVONRILA-UHFFFAOYSA-N 380.389 3.892 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@@H]2CN(c3ncnc4sccc34)C[C@H]2C1 1888906549 NKLONAUMURSKGM-RYUDHWBXSA-N 391.422 3.678 0 40 GHAB O=C(c1c(F)cccc1Cl)N1CC[C@@H](Oc2ncccc2Br)C1 238875469 NXYFAULVKDERIK-SNVBAGLBSA-N 399.647 3.930 0 40 GHAB O=C(Nc1ccc(Br)cc1I)C(F)(F)F 57316783 DOUFGPGSRWNQDF-UHFFFAOYSA-N 393.928 3.555 0 40 GHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)cc1OC 4279486 WGPYIAIGFKMXSC-FQEVSTJZSA-N 395.459 3.587 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)c1cccn(OCc2ccc(F)cc2)c1=O 4326001 VXIQAPYUQKBAPS-UHFFFAOYSA-N 390.773 3.661 0 40 GHAB Cc1cccc(C)c1NC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 5252856 CVDZSRYFGDSASJ-UHFFFAOYSA-N 391.471 3.570 0 40 GHAB Cc1ccccc1-c1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)nn1 13666826 MAXMKLFKMULDHG-UHFFFAOYSA-N 391.450 3.945 0 40 GHAB COc1cccc2sc(N3CCC[C@@H](C(=O)N4CCC(F)(F)CC4)C3)nc12 2298218137 HVWOFRUXADOYCG-CYBMUJFWSA-N 395.475 3.779 0 40 GHAB COc1ccc(-c2nnc(SCc3nc4ccccc4n3C)o2)cc1OC 19626945 FVBSNLRYPQUAHK-UHFFFAOYSA-N 382.445 3.933 0 40 GHAB CC(C)(C)OC(=O)COC(=O)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 21360168 KRYHRLHUUQOBBX-UHFFFAOYSA-N 397.402 3.628 0 40 GHAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)/C=C/c1ccccc1OC(F)F 40069818 ZFPWYRDEJNFQMM-GCDKBMORSA-N 386.398 3.696 0 40 GHAB O[C@@H](CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Br)cc1 20218793 FBLXGXZXGWUZBO-SFHVURJKSA-N 395.728 3.958 0 40 GHAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1ccc(Cl)c2cccnc12 31646003 LBRHSCHWGGQAHL-NRFANRHFSA-N 393.830 3.618 0 40 GHAB Cc1cc2occ(CC(=O)Nc3cccc(OCC(N)=O)c3)c2cc1C(C)C 32907758 JFFXLBWDOYRCKH-UHFFFAOYSA-N 380.444 3.910 0 40 GHAB O=S(=O)(c1cc(Br)ccc1Br)N1CCCCCC1 786184 ZLPCBKRJSQGUAC-UHFFFAOYSA-N 397.132 3.776 0 40 GHAB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2cccc(Cl)c2)CC1 812028 JNZZLFUGPGMLDC-UHFFFAOYSA-N 385.895 3.897 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)n2C)cc1 898516 DWMMSMBCCJUOFJ-UHFFFAOYSA-N 378.501 3.862 0 40 GHAB O=C1CS[C@@H](c2cccs2)N1CCN1C(=O)CS[C@H]1c1cccs1 1612786 QOECHTBSDVADOD-HOTGVXAUSA-N 396.584 3.658 0 40 GHAB CCOC(=O)[C@](NC(=O)CC)(Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 2275284 PRQNJAJISBQTBA-CYBMUJFWSA-N 387.185 3.753 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 2693014 QHQFCHSLQVJWGO-UHFFFAOYSA-N 385.316 3.813 0 40 GHAB O=C(OCc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1O 3272916 SOTZAOVHVPXNEJ-UHFFFAOYSA-N 389.454 3.612 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(OC(F)F)c2)cc1 3394266 OOJTZKDMSGWZIY-GFCCVEGCSA-N 377.343 3.675 0 40 GHAB COc1ccc2c(CC(=O)OCC(=O)Nc3ccc(Cl)cc3F)coc2c1 3419603 JURPCYWQYGJQOD-UHFFFAOYSA-N 391.782 3.958 0 40 GHAB COc1ccccc1N1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 3480252 MPVSIENAXZYUEG-UHFFFAOYSA-N 388.895 3.855 0 40 GHAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCCC[C@@H]3C)c2C1 3481942 SPERYAGBPSLMRY-HOTGVXAUSA-N 380.488 3.917 0 40 GHAB COc1ccccc1CNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 3519977 QYEZFLFIFQYRMA-UHFFFAOYSA-N 394.456 3.635 0 40 GHAB Cc1ccc2oc(C(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)c(C)c2c1 4185922 GGBSWFJHUIKZLW-SFHVURJKSA-N 397.496 3.879 0 40 GHAB O=C(COc1ccc(Br)cc1)c1c(O)c2ccccc2oc1=O 4392065 VIRFRHPKGQGUCG-UHFFFAOYSA-N 375.174 3.523 0 40 GHAB O=c1[nH]c(-c2cc(Br)ccc2O)nc2sc3c(c12)CCCC3 5093439 HYLHHSWKYJOSHL-UHFFFAOYSA-N 377.263 3.999 0 40 GHAB O=C(COC(=O)CCC(=O)c1ccc(Cl)s1)NCCC1=CCCCC1 5246430 XYSVUBRLZUORQL-UHFFFAOYSA-N 383.897 3.914 0 40 GHAB O=C(Nc1nc2ccccc2s1)c1cccn(Cc2ccccc2F)c1=O 5270480 QGMAVHIDDITPBC-UHFFFAOYSA-N 379.416 3.898 0 40 GHAB COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)c1 5446550 LKBUHRKJAOLFEX-LJQANCHMSA-N 381.501 3.744 0 40 GHAB CCCCn1nnnc1Cn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O 5505961 ZMJRGRYFPUSGJP-UHFFFAOYSA-N 394.504 3.577 0 40 GHAB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc([N+](=O)[O-])o1 5739759 NARZHXGVVXCHOE-UHFFFAOYSA-N 383.341 3.670 0 40 GHAB COc1cccc(-c2nnc(SCc3nnc(C)o3)n2Cc2ccco2)c1 5877847 DSVOHONWWYMFOI-UHFFFAOYSA-N 383.433 3.579 0 40 GHAB COCCN(Cc1ccccc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 5938949 LUKAXPPGJIOUTM-UHFFFAOYSA-N 395.503 3.606 0 40 GHAB Cc1ccc(-n2cnnc2SCC(=O)N2CCc3ccccc32)cc1Cl 6104482 PSIIMJQGOCAOOH-UHFFFAOYSA-N 384.892 3.911 0 40 GHAB CCOc1cc(C=O)ccc1OCC(=O)Nc1cccc(Br)c1 6605996 JJNJPOXKYUCHBQ-UHFFFAOYSA-N 378.222 3.678 0 40 GHAB Cc1ccc(N2C(=O)N(Cc3cc(=O)oc4cc(C)ccc34)C(=O)[C@H]2C)cc1 6638266 AKPGLJMQFJCDRO-OAHLLOKOSA-N 376.412 3.767 0 40 GHAB CN(Cc1ccccc1)C(=O)CNc1ccccc1C(=O)NCc1ccccc1 6653016 CTFZNJSPYYRSGH-UHFFFAOYSA-N 387.483 3.687 0 40 GHAB CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 6657464 HHZKBGVHKUCWMF-RDTXWAMCSA-N 379.464 3.586 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)o1 6929750 XGPKAFNEUZHDHS-ZIAGYGMSSA-N 376.478 3.507 0 40 GHAB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 6965951 MLEJSALMRZUJSM-YDZHTSKRSA-N 375.428 3.865 0 40 GHAB CCOCc1cc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1OC 7117657 MLWJHWFYYNKEBV-MRXNPFEDSA-N 394.475 3.646 0 40 GHAB COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1)OCO2 8114004 TUPKTJRGPWEBNN-XGICHPGQSA-N 390.317 3.988 0 40 GHAB COCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 8476818 CFJSAKCUKXICGL-UHFFFAOYSA-N 391.258 3.617 0 40 GHAB CCOc1ccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 8478967 QGQBCSRBPFOOOT-UHFFFAOYSA-N 390.505 3.579 0 40 GHAB CCc1nnc2sc(-c3cccc(NC(=O)C(Cl)(Cl)Cl)c3)nn12 9190350 HWADDRFHYDEIBI-UHFFFAOYSA-N 390.683 3.724 0 40 GHAB CC(C)n1ncc2c(C(=O)NC[C@@H](c3ccccc3)N(C)C)cc(C3CC3)nc21 9579091 LQRFBWGVBQQVRJ-NRFANRHFSA-N 391.519 3.922 0 40 GHAB Cc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1C 9708961 MEHCAVSLGAWSOH-UHFFFAOYSA-N 376.464 3.812 0 40 GHAB Cc1cc(Cl)cc2sc(NC(=O)CS(=O)(=O)Cc3ccccc3)nc12 10619381 FSQMEIOBRLOLLJ-UHFFFAOYSA-N 394.905 3.812 0 40 GHAB CN(CCCC(=O)Nc1ccc(Cl)cc1F)S(=O)(=O)c1cccs1 11425561 WECONAVZQJNEGA-UHFFFAOYSA-N 390.889 3.580 0 40 GHAB COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OC)cc1 11915307 KMVCBEBYRTVDCL-HXUWFJFHSA-N 393.439 3.692 0 40 GHAB CCN1CCN(c2ccc(NCc3cc4cc(C)ccc4[nH]c3=O)cc2)CC1 12088337 ATDQRDKCACSSOR-UHFFFAOYSA-N 376.504 3.591 0 40 GHAB COc1ccc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)c(C)c1C 12337381 KKYUPVDBEZALJY-UHFFFAOYSA-N 393.491 3.840 0 40 GHAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(Cl)sc1Cl 12507857 MBMJREIYKPSIML-UHFFFAOYSA-N 395.289 3.823 0 40 GHAB C[C@H]1CN(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](C)O1 12551698 PEQKEESESBRKII-AOOOYVTPSA-N 384.320 3.772 0 40 GHAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1cc(Cl)cc(Cl)c1 12805129 ZONOILKCBJTTJY-UHFFFAOYSA-N 384.244 3.900 0 40 GHAB CNC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1 12989644 DVYAGEXHMBRYGB-UHFFFAOYSA-N 392.440 3.872 0 40 GHAB COc1ccc(-c2cc(CSc3nnc(-c4ccc(F)cc4)n3N)on2)cc1 14067257 KOZUBNXEILWKIK-UHFFFAOYSA-N 397.435 3.754 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2C)cc1 14123010 AFPZLQRQMTYVGA-UHFFFAOYSA-N 396.516 3.996 0 40 GHAB CCCc1nn2c(=O)cc(COC(=O)c3ccc(C(C)(C)C)cc3)nc2s1 15734272 HJUGJEYYQRIKEB-UHFFFAOYSA-N 385.489 3.758 0 40 GHAB CCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4cccc(C)c4)no3)n2)cc1 16845612 BRGGYMXPOBZNTK-UHFFFAOYSA-N 388.427 3.716 0 40 GHAB O=C(OCc1nnnn1-c1ccccc1)C1c2ccccc2Oc2ccccc21 17528362 LESDKDDRWYXYLJ-UHFFFAOYSA-N 384.395 3.643 0 40 GHAB COc1cccc(CN2CCC[C@@H]2c2nnc(-c3ccc(C)nc3)o2)c1OC 19215100 GBSBTDIXFHRDGY-QGZVFWFLSA-N 380.448 3.794 0 40 GHAB CCCOc1ccccc1CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19525168 UONNCGXVIHAYIO-OAQYLSRUSA-N 380.536 3.981 0 40 GHAB COc1ccccc1CC(=O)N1CCCC[C@H]2NCC[C@H](c3ccccc3)[C@H]21 19569650 ABHARWPEDRIESK-PQNGQFLHSA-N 378.516 3.765 0 40 GHAB COc1cccc(-c2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)on2)c1 19718584 WSPPRDQCNOJZSQ-UHFFFAOYSA-N 392.390 3.986 0 40 GHAB CCOc1ccc([C@H]2CCCN2C(=O)c2sc3nc(C)[nH]c(=O)c3c2C)cc1 19718947 QJMJLIZWBKGPSH-MRXNPFEDSA-N 397.500 3.977 0 40 GHAB Cc1ccc(SC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 20385202 VOQPFLFELRFGPJ-LJQANCHMSA-N 376.953 3.924 0 40 GHAB Nc1nc(N2CCCCC2)nc2nc3c(c([C@@H]4CC=CCC4)c12)C(=O)CCC3 20673595 XDXGOOGLUXXECP-CQSZACIVSA-N 377.492 3.940 0 40 GHAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1C 22200740 NANBEGVVMMQRTB-OXQOHEQNSA-N 385.483 3.979 0 40 GHAB COc1cc(OC)c(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1Cl 22259107 WTVRQZWKXHDVEN-UHFFFAOYSA-N 392.260 3.820 0 40 GHAB CCCNC(=O)Cn1nc2c(c1NC(=O)c1cccc3ccccc13)CSC2 23138846 KGNJRUBXOHJGBF-UHFFFAOYSA-N 394.500 3.562 0 40 GHAB CCOC(=O)c1sc(NC(=O)N2CCC(C)CC2)c(C(=O)OCC)c1C 24563063 JRBQYNAUOZGIFG-UHFFFAOYSA-N 382.482 3.674 0 40 GHAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 26905856 IHTNMYHTZNHLTK-RBBKRZOGSA-N 376.500 3.878 0 40 GHAB Cc1ccccc1CNC(=O)CSc1nnc(NC2CCCCC2)s1 27097593 ZJLHHHNZAFMFLZ-UHFFFAOYSA-N 376.551 4.000 0 40 GHAB CCOCCn1c([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 27792619 HKDFGRSOBLMKJW-INIZCTEOSA-N 379.460 3.602 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c1 28237653 CXIHNZWUFHUVST-HNNXBMFYSA-N 383.448 3.649 0 40 GHAB Cc1nc(NC(=O)c2cc(F)c(Cl)cc2Cl)sc1SCC(N)=O 30709497 DSKCEZUKENNZQA-UHFFFAOYSA-N 394.280 3.727 0 40 GHAB COC(=O)c1ccc([C@H](C)Sc2nnc([C@H]3COc4ccccc4O3)o2)o1 31847030 DUCMXOIOJJUUNI-ZUZCIYMTSA-N 388.401 3.815 0 40 GHAB COc1cccc(NC(=O)[C@H]2CC(O)=Nc3cc(-c4ccc(F)cc4)nn32)c1 32102712 SSLZQDPTOZEMPL-QGZVFWFLSA-N 380.379 3.869 0 40 GHAB O=S(=O)(Nc1cnn(COc2ccc(F)cc2Cl)c1)c1ccc(F)cc1 32610240 XZECGMYLKRXPQS-UHFFFAOYSA-N 399.806 3.652 0 40 GHAB CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 32811047 RQQZHSQASNYTTK-UHFFFAOYSA-N 398.937 3.739 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)N(CCN1CCOCC1)C1CCCC1 32817457 PEBJBJCYOIQAFF-UHFFFAOYSA-N 399.560 3.836 0 40 GHAB C[C@@H](NC(=O)CN1CCN(c2ccc(O)cc2)CC1)c1ccc2ccccc2c1 36386794 FCIYLVQXCZWDIG-GOSISDBHSA-N 389.499 3.545 0 40 GHAB CSc1ccc(N2C[C@@H](c3nc4ccccc4c4nc(C)nn34)CC2=O)cc1 36398047 IIPFAFIWDBEHCZ-AWEZNQCLSA-N 389.484 3.828 0 40 GHAB O=C(CN1CCC(Cn2cnc3ccccc32)CC1)NCc1ccccc1Cl 36708855 AWHVTMLAXSNZGJ-UHFFFAOYSA-N 396.922 3.718 0 40 GHAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 36748160 LKMBNMYBFYNDKV-UHFFFAOYSA-N 379.743 3.858 0 40 GHAB COc1ccc(OC(F)F)c(NC(=O)NC[C@H](C)Cn2nc(C)cc2C)c1 40120569 KUWWTIFMPNICCG-NSHDSACASA-N 382.411 3.568 0 40 GHAB CN(C)c1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)ccn1 42216327 UZCFOHQRUSSFSQ-HNNXBMFYSA-N 382.489 3.583 0 40 GHAB CCn1c(=O)n(CCC(=O)Nc2cc(-n3cccc3)ccc2F)c2ccccc21 58214860 OBZXNOXKTAYRHB-UHFFFAOYSA-N 392.434 3.782 0 40 GHAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C)c(OC)cc2C)c1 62139163 KDGOPUPQSUUJBS-UHFFFAOYSA-N 383.853 3.553 0 40 GHAB COc1cccc([C@@H]2CC(=O)N(c3cccc(OC)c3)c3c2sc(=O)n3C)c1 66089858 MVZGOWKDQZCDBF-KRWDZBQOSA-N 396.468 3.664 0 40 GHAB CC[C@H](C)n1c(SCC(=O)NCc2ccc(C)cc2)nc2cc(C)[nH]c2c1=O 67238804 NTDCOYTZQLIHSN-HNNXBMFYSA-N 398.532 3.721 0 40 GHAB O=C1[C@@H](Nc2ccc(N3CCCCC3)cc2)CCN1c1cccc([N+](=O)[O-])c1 67452022 QJHTWDKKBLCHOZ-FQEVSTJZSA-N 380.448 3.803 0 40 GHAB COCCNc1nnc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)s1 69522300 FKBMIZBEDIGIRC-CYBMUJFWSA-N 380.539 3.641 0 40 GHAB O=C(CCn1ccc2ccccc21)Nc1ccc(N2CCCCS2(=O)=O)cc1 71281476 GPBNUICTYVWUAB-UHFFFAOYSA-N 397.500 3.600 0 40 GHAB C[C@@H]1CCC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2F)[C@@H]1C 72318865 JMLSCWUWJMEBOG-HFAKWTLXSA-N 378.307 3.832 0 40 GHAB CCN(CC)C(=O)CN1CCC[C@H]1c1cc(Nc2ncc(C)s2)cc(C)n1 72372479 JXKFMORYZAPRSB-SFHVURJKSA-N 387.553 3.904 0 40 GHAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)ccc12 72374521 LIAXABVXQWUQBM-SFHVURJKSA-N 381.455 3.824 0 40 GHAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cnc4ccc(C)cn34)C2)cc1 92708922 HJOMVRDYZNYWOU-IBGZPJMESA-N 391.519 3.985 0 40 GHAB O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc(N2CCOC2=O)cc1 95367634 RAUSBKKCPMBQNI-UHFFFAOYSA-N 397.818 3.862 0 40 GHAB CCOC(=O)N1CCN(C(=O)c2c(-n3c(C)ccc3C)sc(C)c2C)CC1 95408993 MEJOGLPIGZHEEB-UHFFFAOYSA-N 389.521 3.687 0 40 GHAB CC(=O)c1ccc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c(F)c1 95464469 GVLGBKHVKULRSH-HZPDHXFCSA-N 398.478 3.568 0 40 GHAB CC(C)(CO)CNC(=O)c1ccnn1-c1ccc2ccc(-c3ccccc3)cn12 96155247 OEJQOEZTVYBVQF-UHFFFAOYSA-N 388.471 3.540 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3OC(C)C)n2)cc1 96237062 IBDMSOLNTDDESX-UHFFFAOYSA-N 381.432 3.805 0 40 GHAB CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(F)c(C(F)(F)F)c1 97549087 NACUHLRQCIPSLT-UHFFFAOYSA-N 378.366 3.878 0 40 GHAB C[C@H]1CC[C@H]2C(=O)N(c3ccccc3OCC(=O)c3ccccc3)C(=O)[C@@H]2C1 100838519 NQUSDZVGNBFUCT-CGTJXYLNSA-N 377.440 3.874 0 40 GHAB Cc1c(C(=O)OC[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cnn1C 107137915 CIDCYMGAPMSHGH-YJBOKZPZSA-N 395.425 3.987 0 40 GHAB Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 222715944 SHZZOCLVLWUWJJ-GOSISDBHSA-N 394.515 3.856 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 223103804 TVQUCZAHZMEEGG-HXUWFJFHSA-N 382.504 3.544 0 40 GHAB CC(C)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 242811001 FJLLQKDWVIONKZ-UHFFFAOYSA-N 380.897 3.868 0 40 GHAB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1 408641890 DHYRHRKDKBXMMJ-ZDUSSCGKSA-N 392.238 3.772 0 40 GHAB CCOc1cc([C@@H]2NC[C@@H](C(=O)O)S2)ccc1OCc1ccc(F)cc1 408980806 XVLDOBITCQCFJL-ZWKOTPCHSA-N 377.437 3.592 0 40 GHAB Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(C)C3=O)cc2)cc1C 409351375 VYXBRIHSRNOPNU-WQRHYEAKSA-N 396.468 3.987 0 40 GHAB C[C@@H](c1ccccc1)N1CCN(C(=O)CSc2ccc(F)cc2F)CC1 510807753 CBFLLZQLCMKACF-HNNXBMFYSA-N 376.472 3.962 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@]23C[C@@H]2COC3(C)C)cn1 528912619 JZLNLPFYEPHWQX-SPLOXXLWSA-N 383.448 3.880 0 40 GHAB COc1ccc(Cl)cc1[C@H](O)CNC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 529454537 RQSDJBNEQRANNG-LZLYRXPVSA-N 377.843 3.831 0 40 GHAB O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)N1CC[C@@H]2CNC[C@@H]2CC1 568845030 ZGWQHXWWWLBYFG-TXEJJXNPSA-N 391.821 3.744 0 40 GHAB CC(C)Sc1ccc(CC(=O)NCc2cncc(N3CCCC3=O)c2)cc1 575619467 MGQJKXOFBVLGDC-UHFFFAOYSA-N 383.517 3.568 0 40 GHAB O=C(NC1(C(=O)O)CCCCC1)c1cc2c(Br)cncc2s1 647601613 HAFNLJVCHLTQLI-UHFFFAOYSA-N 383.267 3.576 0 40 GHAB O=C(O)[C@H](c1ccccc1F)N1CCC(c2nc(-c3ccccc3)no2)CC1 652409925 CBYUWUUCTYPPJP-SFHVURJKSA-N 381.407 3.881 0 40 GHAB COc1c(C)cccc1CN1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615124567 YDOWAQRYSWGUBH-UHFFFAOYSA-N 398.478 3.541 0 40 GHAB Cc1cccc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)c1Cl 1664379401 XXKWGHUYVXYIEQ-QGZVFWFLSA-N 375.877 3.814 0 40 GHAB CN1C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H]2COc3ccccc3[C@@H]21 1772595772 LWZZOIKWLCLRSD-RYRKJORJSA-N 392.377 3.835 0 40 GHAB O=C(CSCc1ccccc1)Nc1ccc2onc(CN3CCOCC3)c2c1 1775970420 MBUUSJVVVDXZKH-UHFFFAOYSA-N 397.500 3.532 0 40 GHAB Cc1ccc(C(=O)N2CC[C@H](C(=O)NC3CCCC3)c3nc(C)sc3C2)o1 2055729840 SZJBMUYMINHQNK-HNNXBMFYSA-N 387.505 3.541 0 40 GHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccnc1Cl 803420 FTOQDEPRNWMROB-UHFFFAOYSA-N 385.773 3.843 0 40 GHAB O=C(O)[C@H]1CS[C@@H](c2c(-c3ccccc3)nn(-c3ccccc3)c2Cl)N1 940103 ONWWAQHJGGGUDX-KDOFPFPSSA-N 385.876 3.981 0 40 GHAB CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nnc1C(C)C 1356067 MENQTIFPEUXHJQ-UHFFFAOYSA-N 391.522 3.771 0 40 GHAB COC(=O)c1ccccc1SCc1nc(N)nc(Nc2ccc(C)cc2)n1 1431440 KWWWYIHVQOCEGS-UHFFFAOYSA-N 381.461 3.585 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCCO3)ccc1Br 2049912 YJHNYTSVLIVYFQ-UHFFFAOYSA-N 391.217 3.568 0 40 GHAB CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(C)s2)NC(=O)N1C 2474629 VFUGFEMZQGPDFP-GOSISDBHSA-N 386.473 3.649 0 40 GHAB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccccc2OC)cc1 3274122 DDRCDJUHTYKTEG-UHFFFAOYSA-N 394.427 3.573 0 40 GHAB O=C(COC(=O)c1cccc(O)c1)Nc1ccc(OCc2ccccc2)cc1 3311330 YNZVPRPIJDVOJU-UHFFFAOYSA-N 377.396 3.767 0 40 GHAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1cc(Cl)ccc1Cl 3318006 AKVJZEQWOCHMPJ-UHFFFAOYSA-N 392.194 3.895 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC2CCCCC2)cc1 3319296 ILOFWVOEFKRVDX-UHFFFAOYSA-N 379.456 3.832 0 40 GHAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccc(OC)c3)n2C)cc1 3322829 ULWUJAJYVYNUFI-CYBMUJFWSA-N 383.473 3.863 0 40 GHAB CCOc1cccc2cc(C(=O)OCC(=O)c3c[nH]c4ccccc34)c(=O)oc12 3326143 VIFIENAOUFLWLB-UHFFFAOYSA-N 391.379 3.713 0 40 GHAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NC1CCCCCCC1 3329759 FDWPKBYANRLOAN-UHFFFAOYSA-N 389.477 3.787 0 40 GHAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Br)cc1 3498720 KWIHOEMYJIINBF-KRWDZBQOSA-N 398.260 3.594 0 40 GHAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 3608610 JKQTTXQRTVYSKG-UHFFFAOYSA-N 387.288 3.561 0 40 GHAB COc1ccc(-n2nc3c(c2NC(=O)c2cccc(OC)c2)CSC3)cc1 4077182 IUGRDPMCZFTKJQ-UHFFFAOYSA-N 381.457 3.889 0 40 GHAB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)c1ccc2c(c1)OCO2 4220903 VLYWCFJSDQEUOZ-UHFFFAOYSA-N 376.364 3.828 0 40 GHAB O=S(=O)(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccccc1 4305590 JHBXWFKAQZVBIU-LJQANCHMSA-N 384.526 3.830 0 40 GHAB CCOC(=O)N1CCN(C(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)CC1 4576156 BZPFGPYKPDJZPW-HEHNFIMWSA-N 394.471 3.537 0 40 GHAB O=C(CSc1nnc(NC(=O)Nc2ccccc2)s1)NC1CCCCC1 4851560 MRUTYWKTWHHUMM-UHFFFAOYSA-N 391.522 3.723 0 40 GHAB Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2cccc(Cl)c2)CC1 4895355 ZRDLCOAQLQMAMA-UHFFFAOYSA-N 383.883 3.669 0 40 GHAB O=S(=O)(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccc(F)cc1F 5084021 NNBHUZNOGJQBCQ-UHFFFAOYSA-N 393.440 3.735 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1cccc(F)c1 5108316 RYCYLOMJSCYQJR-UHFFFAOYSA-N 394.468 3.918 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(C)c(N2CCCCC2=O)c1 5330108 WHBMRADUTBNCKC-UHFFFAOYSA-N 388.489 3.630 0 40 GHAB O=C(N[C@H](Nc1ccccc1C(=O)O)C(Cl)(Cl)Cl)c1cccs1 5338243 AKDHOYKSVRJXGT-ZDUSSCGKSA-N 393.679 3.985 0 40 GHAB CCc1s/c(=N\c2cccc(Br)c2)n(C(C)=O)c1OC(C)=O 5375750 UAMQWEJRUSXRKG-ICFOKQHNSA-N 383.267 3.692 0 40 GHAB CCn1c(S[C@H](C)C(=O)OC)nc2scc(-c3cccs3)c2c1=O 5583439 XSKAJIOCNRXWKP-SECBINFHSA-N 380.516 3.860 0 40 GHAB CCC(=O)c1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2ccc(CC)cc2)cc1 6029009 HWUZGTJPUNQIKJ-HNNXBMFYSA-N 383.444 3.791 0 40 GHAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1 6338606 SBIHGLXBDVEDGG-UHFFFAOYSA-N 381.657 3.861 0 40 GHAB CCc1ccc(N2C(=O)/C(=C/c3ccc(SC)cc3)C(=O)NC2=S)cc1 6604285 LKAHMHHCHJMOEZ-SFQUDFHCSA-N 382.510 3.802 0 40 GHAB Cc1cnc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)s1 6896101 CSDAISZKCFUZBQ-UHFFFAOYSA-N 378.251 3.620 0 40 GHAB O=c1c2ccccc2nc(SC[C@H]2CC2(Cl)Cl)n1C[C@@H]1CCCO1 7171649 UXUBFFJJXQCDAI-NEPJUHHUSA-N 385.316 3.861 0 40 GHAB Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2cccc(Cl)c2)cc1 7508538 KHHOASQAKDEYFZ-UHFFFAOYSA-N 390.830 3.995 0 40 GHAB Cc1cccc(NC(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)c1C 7783732 OLLGWIMZBGWGOC-HNNXBMFYSA-N 375.515 3.835 0 40 GHAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 7881869 VAQRPJVQJNWEJE-CYBMUJFWSA-N 388.851 3.739 0 40 GHAB O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 7990868 MJHAPUUJSNWJPG-FQEVSTJZSA-N 383.407 3.691 0 40 GHAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(Cl)cc1 8288574 ANLBPDIPYPWELE-UHFFFAOYSA-N 388.876 3.800 0 40 GHAB Cc1ccc2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)cc(=O)n2c1 8310462 GJIWLCCBASZSIW-IBGZPJMESA-N 391.471 3.501 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)COCc2nc3ccccc3s2)c1 8356756 XBAGINBSPCFQLC-CYBMUJFWSA-N 386.473 3.708 0 40 GHAB Cc1nc2ccc(N3CCOCC3)cc2c(O)c1CN(C)Cc1ccccc1 8717445 BBBIHKIPCWYHML-UHFFFAOYSA-N 377.488 3.717 0 40 GHAB CCCCN1C(=O)CCc2cc(NC(=O)COc3ccc(OC)cc3)ccc21 9137345 LQMBFOAIPRWHSA-UHFFFAOYSA-N 382.460 3.792 0 40 GHAB COc1cc(Cl)ccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1F 9388141 XDPUOBYUFRYKHM-KRWDZBQOSA-N 389.814 3.754 0 40 GHAB O=C(COc1ccccc1Br)Nc1ccccc1N1CCCC1=O 9656921 RXYOTTXTKJDIKV-UHFFFAOYSA-N 389.249 3.593 0 40 GHAB Cc1cccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)no3)c2N)c1 11691831 YRROJVRYWRGXQE-UHFFFAOYSA-N 397.236 3.637 0 40 GHAB CCOc1ccc2cc(CNc3ccc(N4CCC[C@H](O)C4)cc3)c(=O)[nH]c2c1 12088311 QACPFZXNUXGIKV-FQEVSTJZSA-N 393.487 3.500 0 40 GHAB CCc1nn(C)c(NC(=O)CCn2c(C(F)(F)F)cc3cccnc32)c1C 12222226 BZTYAYZMGZWWEZ-UHFFFAOYSA-N 379.386 3.688 0 40 GHAB Cc1ccc(Cl)c(OCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c1 12630043 IQVPLTDFYFCRPQ-IBGZPJMESA-N 387.842 3.806 0 40 GHAB CN1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)[C@@H](c2ccccc2)C1 12793494 KVUJJOUAQWWGRD-LKGOPFMKSA-N 384.863 3.597 0 40 GHAB Cc1ccc(C)c(OCCN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1 12872795 YKLKGVJWMJHDEI-QHCPKHFHSA-N 378.472 3.856 0 40 GHAB O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1cccnc1O 12884948 IYFMUIWGODLTNR-UHFFFAOYSA-N 390.262 3.849 0 40 GHAB C[C@H](Nc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 13038664 ARYCNOHYGOMLDA-AWEZNQCLSA-N 393.409 3.981 0 40 GHAB CCOC(=O)c1sc2nc(CSc3nc(C)cs3)[nH]c(=O)c2c1C 13135280 TXKCDZQMDMGPIB-UHFFFAOYSA-N 381.504 3.527 0 40 GHAB COc1ccccc1C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1 13625517 FMUKREMIGKQYPQ-UHFFFAOYSA-N 376.412 3.965 0 40 GHAB Cc1ccccc1N(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1ccccc1 13668205 OEMXXPGAKRTSPY-UHFFFAOYSA-N 394.496 3.853 0 40 GHAB CCN(C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)[C@H]1CCS(=O)(=O)C1 14229536 UPOPZNYEBGIRAV-DZZUKKPASA-N 393.505 3.603 0 40 GHAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 14247514 MTCKOAKCLQHCDA-UHFFFAOYSA-N 396.497 3.689 0 40 GHAB C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1nc2ccccc2c(=O)[nH]1 14251828 CEBDCNFDBMCQMR-GFCCVEGCSA-N 390.472 3.765 0 40 GHAB CCCNS(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2CC)ccc1OC 14291919 FVJQLEVDCOBRMI-UHFFFAOYSA-N 390.505 3.507 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)c(C)c1 16285003 JFFXYIVJQHDPIY-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCCN(C(=O)C(C)C)C3)on2)cc1 19212223 LNRHCYBILFFJAG-HSZRJFAPSA-N 397.519 3.546 0 40 GHAB COc1ccccc1CN(Cc1cccnc1)C(=O)c1c2c(nn1C)CCCC2 19288624 WZCURQSSCBQXSE-UHFFFAOYSA-N 390.487 3.545 0 40 GHAB CCCn1ncc(C(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)c1C 19525910 NXVNGEFUBBZXMW-UHFFFAOYSA-N 394.523 3.726 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c34)C2)on1 19568788 AFTBMUNSNBAFPP-LLVKDONJSA-N 394.353 3.866 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCc3ccc(CN4CCCC4=O)cc3)no2)cc1 19715049 VOGOWNNCKGPROO-UHFFFAOYSA-N 389.455 3.702 0 40 GHAB O=C(CCc1ccccc1)N[C@H]1CC[C@]2(CCC(=O)N2)[C@@H](c2ccccc2)C1 19740086 YQFLBQPFSSGIPX-IMSXRSKXSA-N 376.500 3.721 0 40 GHAB COc1ccc(C(=O)N[C@H](N2CCCCC2)C(Cl)(Cl)Cl)cc1OC 19792347 DBGIHNSRSNOOBJ-OAHLLOKOSA-N 395.714 3.616 0 40 GHAB CCc1nn2c(nnc3c(=O)n(-c4cccc(OC)c4)ccc32)c1-c1ccccc1 19818954 MONHMPBZOSIQAO-UHFFFAOYSA-N 397.438 3.666 0 40 GHAB CCOc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=N)NC3=O)cc2c1 21596693 JJWBBJPROLSQDS-SFQUDFHCSA-N 382.489 3.762 0 40 GHAB CCOc1c(Br)cc(CNC[C@@H](O)c2ccccc2)cc1OC 22076011 SRPKFIXPAHANPW-MRXNPFEDSA-N 380.282 3.680 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 24118360 ACZMSQKTRIHJDV-UHFFFAOYSA-N 378.394 3.672 0 40 GHAB COc1ccccc1[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1nccn1C 25053169 SNQDTMNECPOBFA-AUUYWEPGSA-N 399.878 3.755 0 40 GHAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CC=C(c2c[nH]c3ncccc23)CC1 25250145 BSZKABMYGINKDD-UHFFFAOYSA-N 395.846 3.917 0 40 GHAB COc1ccccc1-c1cc(COC(=O)[C@H]2Oc3ccccc3O[C@H]2C)on1 26286403 WYHHXGFPIYNMNH-RBZFPXEDSA-N 381.384 3.622 0 40 GHAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccccc1)C[C@H]1CCCO1 28251295 ZMDIDOQWKUILBC-QGZVFWFLSA-N 381.403 3.754 0 40 GHAB C[C@@H]1CN(c2ccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cn2)C[C@@H](C)O1 30016414 XTZRVMLJUFWGGK-GHMZBOCLSA-N 395.290 3.837 0 40 GHAB COC(=O)c1ccc([C@@H](C)Sc2nnc([C@H]3COc4ccccc4O3)o2)o1 31847028 DUCMXOIOJJUUNI-MEBBXXQBSA-N 388.401 3.815 0 40 GHAB O=C(Nc1cccc(F)c1)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1 32091656 WLRAWWMALXFFCE-UHFFFAOYSA-N 377.350 3.916 0 40 GHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 32721701 RXQBEWNFNOKSEK-UHFFFAOYSA-N 375.762 3.835 0 40 GHAB O=C(Nc1cccc2ccccc12)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 35289352 XUVUMSOMGHHTNK-HXUWFJFHSA-N 398.459 3.771 0 40 GHAB CCC[C@@H](NC(C)=O)C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 40156811 LJSZEOJQMKKCLK-MRXNPFEDSA-N 393.281 3.630 0 40 GHAB Cc1noc(-c2csc(S(=O)(=O)N3CC(O)=Nc4ccccc43)c2)c1C 44902581 HFYKWSLYWAQEKX-UHFFFAOYSA-N 389.458 3.817 0 40 GHAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 44911490 GGMPNECJJCYSNT-UHFFFAOYSA-N 384.451 3.853 0 40 GHAB CSc1ccc(Cl)c(C(=O)NCc2ccc(OCCN(C)C)cc2)c1 48354991 JBGKVRAPZYDIKM-UHFFFAOYSA-N 378.925 3.932 0 40 GHAB Cc1ccc(-c2nnc(S[C@@H](C)c3nc(-c4ccccc4)no3)n2N)cc1 53047692 WLBYAGUVJCFQIF-ZDUSSCGKSA-N 378.461 3.871 0 40 GHAB O=S(=O)(Nc1cccc(-n2cccn2)c1)c1ccccc1OC(F)(F)F 55589835 HWRZUOJCYMNHKJ-UHFFFAOYSA-N 383.351 3.572 0 40 GHAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccccc4OC)c3)nn12 57316900 QMJZWYFANGUNHF-UHFFFAOYSA-N 379.445 3.676 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 58005218 VWAKSKKDCKJKTR-NEPJUHHUSA-N 395.322 3.815 0 40 GHAB COc1ccc([C@@H]2CCCCCN2CN2C(=O)NC3(CCCCC3)C2=O)cc1 58160787 QBJWZVKDMFOPFJ-IBGZPJMESA-N 385.508 3.825 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1Cl 58168020 OGOJZYCXJWKUEQ-UHFFFAOYSA-N 379.869 3.733 0 40 GHAB Cc1ccc(CNC(=O)c2nc(-c3nc(-c4ccncc4)no3)cs2)cc1C 65230670 YSLMEEWNNOJGDT-UHFFFAOYSA-N 391.456 3.802 0 40 GHAB CC(C)Oc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)s1 65845949 LPJBVYUHWVPJOI-NXEZZACHSA-N 383.461 3.655 0 40 GHAB CC(=O)Nc1cc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)c(F)cc1F 66286872 NVPFZYLEIRJJOL-UHFFFAOYSA-N 387.390 3.810 0 40 GHAB CC1(C)[C@H](Cc2cc(CC3CCCCC3)on2)C[C@@H]1NC(=O)N1CCOCC1 67890306 YIBWYRUIGKYOFN-XLIONFOSSA-N 389.540 3.796 0 40 GHAB biogenic,in-vitro O[C@H](c1ccccn1)c1cccc(F)c1N1CCN(Cc2ccccc2)CC1 72340699 GZEYXVPPMXCOEJ-QHCPKHFHSA-N 377.463 3.625 0 40 GHAB COc1ccccc1-c1cc(NC(=O)CCCc2nc3ccccc3[nH]2)[nH]n1 78716709 VXYACGXSPMTOEU-UHFFFAOYSA-N 375.432 3.923 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2NC(C)C)cc1OC 79094984 UFKVLDXHVLUSOU-UHFFFAOYSA-N 384.885 3.978 0 40 GHAB O=C(NC1CCOCC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 84383344 PGEHPFDSARTEEJ-UHFFFAOYSA-N 379.382 3.677 0 40 GHAB O=C([C@@H]1CC(c2ccc(Cl)s2)=NO1)N1CCc2[nH]c3ccccc3c2C1 84593411 MYIKRGBCLIHOBI-INIZCTEOSA-N 385.876 3.961 0 40 GHAB Cc1ccc([C@H](O)CNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1 89629818 JSCSDUCLLOLVCD-QGZVFWFLSA-N 395.480 3.958 0 40 GHAB COc1ccc(-c2noc(CNC(=O)COc3ccccc3C(C)(C)C)n2)cc1 95482482 UYNNXGXOPNVHJT-UHFFFAOYSA-N 395.459 3.738 0 40 GHAB Cc1nc([C@H]2CCCN(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)C2)n[nH]1 95966405 LREPMUXFJURVQS-KRWDZBQOSA-N 382.512 3.761 0 40 GHAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cccc(NC(=O)c2ccsc2)c1 96116507 VJSOHTYEVKPCBI-FXAWDEMLSA-N 397.544 3.995 0 40 GHAB biogenic CCn1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)cn1 100156257 SKNPZOZEAXHVGO-OKILXGFUSA-N 385.493 3.718 0 40 GHAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)c2ccccc21 106769816 HXJDOZFCTLBWSV-PDGQHHTCSA-N 397.500 3.710 0 40 GHAB COC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)c1C 216327698 MMCBQXWZXKDDLS-CYBMUJFWSA-N 389.473 3.918 0 40 GHAB CC[C@H](C)Nc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)O 217585091 QJPZFEFGDWNZHL-AWEZNQCLSA-N 380.510 3.764 0 40 GHAB Cc1cccc(N(CCCC(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1C 222626605 OTMGVEQSJBYPMM-SFHVURJKSA-N 388.533 3.727 0 40 GHAB O=C(COc1ccc2c(c1)CCCC2)NCc1nc(-c2cccc(Cl)c2)no1 223272965 CXHQLFVIECQFAL-UHFFFAOYSA-N 397.862 3.964 0 40 GHAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 223903810 KQLAEHUETWEIHV-PMACEKPBSA-N 377.517 3.663 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 224392935 XMPDKFPTUJHDRZ-IBGZPJMESA-N 390.886 3.965 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1cccs1 224539797 PKZFPQGHQLVBFV-UHFFFAOYSA-N 376.434 3.940 0 40 GHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)c(OC)c1 224795398 RKJKEKRIAJOPCM-OALUTQOASA-N 380.473 3.604 0 40 GHAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1C1CCCC1 225011450 LAQGTDPNPPUPNI-YYWHXJBOSA-N 396.560 3.977 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1 225457712 DBCOPBLAAWWDPT-GHTZIAJQSA-N 382.504 3.788 0 40 GHAB COc1ccc(Cl)cc1C(=O)NCCc1c(C)nn(-c2ccccn2)c1C 225581580 DUJPFJVJNUHBJH-UHFFFAOYSA-N 384.867 3.519 0 40 GHAB Cc1cc(N)c(N2CCOCC2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 226264303 OLNSJQNLOPXTJF-UHFFFAOYSA-N 380.275 3.973 0 40 GHAB NNc1nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2s1 226312768 YDGBKSOYVZXLKM-UHFFFAOYSA-N 383.260 3.906 0 40 GHAB CC(=O)N1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3C)c2)C1 257214708 CNDYNWALTHQNJY-IBGZPJMESA-N 375.476 3.728 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2cc(C)on2)[C@@H]1c1cccc(Cl)c1 257244989 INQSTVMNDLNLOS-MJGOQNOKSA-N 389.883 3.595 0 40 GHAB CC(C)c1nc(S(=O)(=O)N[C@@H](c2ccsc2)c2cccs2)cn1C 390826182 DVMXXCPDKICGDI-HNNXBMFYSA-N 381.548 3.734 0 40 GHAB CCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 408593906 QOBIWNAKGYYSEX-UHFFFAOYSA-N 389.477 3.514 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)NC[C@@H](C)c3ccccc3)CC2=O)cc1 408706581 BWZWOFFJGQTSSQ-IEBWSBKVSA-N 380.488 3.748 0 40 GHAB Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N1CCC(c2ccncn2)CC1)CC3 583551956 RZBYDXXLCJUDTJ-QGZVFWFLSA-N 389.503 3.713 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCC(c2c[nH]nc2C)CC1 585081332 GLWYWFYZFBWSQJ-AWEZNQCLSA-N 390.915 3.895 0 40 GHAB O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N[C@H]1CO[C@@H](C2CC2)C1 626547538 KVXAIRXCIIWVFW-ZWNOBZJWSA-N 380.313 3.996 0 40 GHAB CN(C)C(=O)c1sc2ncccc2c1C1CCN(Cc2cscn2)CC1 643914809 XHEWZJCHCBFXBK-UHFFFAOYSA-N 386.546 3.834 0 40 GHAB Cc1cc(Cl)c2ccccc2c1NC(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 666727133 XRXYUIVEJDXTTB-STQMWFEESA-N 380.897 3.889 0 40 GHAB CN1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)c3cccs3)C2)C1 1614940588 QCFSCTYYBWPOMO-JOCHJYFZSA-N 392.528 3.689 0 40 GHAB CNc1nc(C2CCN(C(=O)C3CCC(F)(F)CC3)CC2)cn2cccc12 2037838345 FFBAIBNQCZDNBL-UHFFFAOYSA-N 376.451 3.908 0 40 GHAB CC(C)c1nc2ccccc2c2nnc(SCC(=O)N3CCCC[C@H]3C)n12 1327753 STBZHMXATDQEFN-CQSZACIVSA-N 383.521 3.894 0 40 GHAB CCCN(C(=O)c1cccc(OC)c1OC)c1nnc(-c2cccnc2)s1 1356854 XFFKDBIASRMAPG-UHFFFAOYSA-N 384.461 3.674 0 40 GHAB CCOC(=O)CC(=O)CSc1cc(C)nc2c(-c3ccccc3)c(C)nn12 2405044 YKVJQLYJAHGOLW-UHFFFAOYSA-N 383.473 3.628 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(NCc2ccccc2)s1 3361349 FXMULBLGDYLHPF-ZFWWWQNUSA-N 376.551 3.937 0 40 GHAB C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)NCc1ccccc1 3450213 SLDXGTUYBWLQMW-AWEZNQCLSA-N 384.530 3.947 0 40 GHAB CC[C@H](C)NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3460340 OERQUCOYGWJMGK-INIZCTEOSA-N 377.444 3.611 0 40 GHAB COc1ccc2c(-c3ccccc3)cc(S[C@@H](C)C(=O)NC(N)=O)nc2c1 3469702 RWNXKHFTSRLUGU-LBPRGKRZSA-N 381.457 3.586 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2)n1 3560395 XDGMEWYNSBFISV-UHFFFAOYSA-N 376.460 3.578 0 40 GHAB CC(C)COC(=O)C1=CN=C2SCCC(=O)N2[C@@H]1c1ccccc1Cl 3640239 SJXSRKPUDBDIFN-MRXNPFEDSA-N 378.881 3.799 0 40 GHAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1nc2ccccc2[nH]1 4113199 OCJMDWWQTSPTQC-XMMPIXPASA-N 397.434 3.570 0 40 GHAB Cc1cc2nc3s/c(=C/c4ccccc4Br)c(=O)n3c2cc1C 4795029 JUYLTWFENLVNNW-CXUHLZMHSA-N 385.286 3.836 0 40 GHAB C[C@H](NC(=O)COC(=O)c1n[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 4822599 LAMADZBZEWCLLA-JTQLQIEISA-N 392.242 3.904 0 40 GHAB O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 5193870 XMOPOIXEXMHIHS-AWEZNQCLSA-N 381.329 3.772 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc3nc(C)sc3c2)CC1=O 6560943 GDYPBFOYGASEKH-CYBMUJFWSA-N 381.457 3.605 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 6602323 RJTUUAOFSFGSSN-CYBMUJFWSA-N 388.851 3.657 0 40 GHAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1F 6608885 RXWDJOHHZNULOO-MRXNPFEDSA-N 380.872 3.969 0 40 GHAB CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 6732800 OPOHHXYYBJOWHU-QGZVFWFLSA-N 389.436 3.957 0 40 GHAB CCOc1ncccc1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 7000763 OKCRZUFTHHIDBB-UHFFFAOYSA-N 382.445 3.815 0 40 GHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3SC(F)F)ccc21 7325596 GTTGUFFOGPXMIQ-UHFFFAOYSA-N 398.456 3.711 0 40 GHAB O=C1CCCN1c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 7612597 KJUOPROINGEWRH-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc(=O)c2ccccc2o1 7987202 GNEACFHEYSPJQF-UHFFFAOYSA-N 387.439 3.868 0 40 GHAB CC(C)COc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 8073777 MOWNXXIGVXLWSC-QGZVFWFLSA-N 396.487 3.883 0 40 GHAB NC(=O)N[C@@H](CC(=O)NCCCn1ccc2ccccc21)c1ccc(Cl)cc1 8232681 CPWQDWTYFPTEAZ-SFHVURJKSA-N 398.894 3.601 0 40 GHAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)c1 8413996 BRNDLRSJFRSXDV-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CCOc1cc(-c2ccc(OCC(=O)O)c(OC)c2)cc(=O)c2c(C)oc(C)c12 8764684 FDPHTEVVLANUOU-UHFFFAOYSA-N 398.411 3.948 0 40 GHAB biogenic FC(F)(F)c1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)nc1 8769462 MSXNSNIXGGMVEI-UHFFFAOYSA-N 387.409 3.608 0 40 GHAB CC(=O)NCc1ccc(C(=O)CSc2nnc3sc4ccccc4n23)cc1 8776664 LDXMTLLBJFBBFT-UHFFFAOYSA-N 396.497 3.555 0 40 GHAB CCn1c(SCC(=O)N(C)Cc2c(F)cccc2Cl)nnc1C1CC1 9112489 ZFSFPWNDYQONBA-UHFFFAOYSA-N 382.892 3.719 0 40 GHAB Cc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1Cl)S2 9236462 GTDDFSNPUCWCCX-CVEARBPZSA-N 385.880 3.638 0 40 GHAB Cc1ccc(-n2nnnc2CNC(=O)c2ccc(Cl)cc2Cl)cc1C 9570305 WIIKXHNUHDVLED-UHFFFAOYSA-N 376.247 3.516 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc3n2CCN3c2ccccc2)c1 9573895 SJJHYEUJCFGLQP-UHFFFAOYSA-N 379.489 3.777 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)/C=C/c2ccccc2)CC1 9990005 GKVDXPANKXMOOS-RMKNXTFCSA-N 377.440 3.593 0 40 GHAB CCn1c(N2CCC(C(=O)Nc3nnc(C(C)C)s3)CC2)nc2ccccc21 12116395 JCIGOBXGJHRCCI-UHFFFAOYSA-N 398.536 3.886 0 40 GHAB Cn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cn1 12186586 HLNZLVCMBPJTTH-GOSISDBHSA-N 380.448 3.921 0 40 GHAB O=C(Cc1ccc(Cl)cc1)NC[C@H](c1ccc2c(c1)OCO2)N1CCCC1 12197288 YZQZJMICQVCRBR-GOSISDBHSA-N 386.879 3.565 0 40 GHAB Cc1cc(C)c2nc(C)cc(NC(=O)CCN3C(=O)c4ccccc4C3=O)c2c1 12421886 KUIXWPQSYHKUTB-UHFFFAOYSA-N 387.439 3.785 0 40 GHAB CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccccc2Cn2ccnc2)cc1 12525084 GXZRRNUXBPSCCH-QGZVFWFLSA-N 383.517 3.923 0 40 GHAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 12604615 ODQDDBBIGDBYCM-UHFFFAOYSA-N 393.770 3.946 0 40 GHAB Cc1cccc(Cc2cnc(NC(=O)CNC(=O)c3ccccc3F)s2)c1 12815189 BRMZOWRYIRJYIA-UHFFFAOYSA-N 383.448 3.550 0 40 GHAB Fc1ccccc1CN1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 13266961 JRLKVZKVIMSPQP-UHFFFAOYSA-N 379.361 3.662 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Oc1ccccc1Cl 13710017 LKFFBARQZXIMGL-LLVKDONJSA-N 393.823 3.550 0 40 GHAB CCOc1ccc(/C=C(\C(=O)NCCc2ccccc2)n2ccccc2=O)cc1 13894665 PBOMZKFUQVHEBL-RELWKKBWSA-N 388.467 3.604 0 40 GHAB COc1cc(OC)c(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1Cl 14237271 YKDIRGIYJCAZSI-ZDUSSCGKSA-N 388.851 3.887 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)c1 14869007 BKKYZMSDZKPXLB-UHFFFAOYSA-N 390.486 3.937 0 40 GHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCC1CCCCC1 15396839 QGYUOBYWWSPOGK-UHFFFAOYSA-N 386.517 3.578 0 40 GHAB CCNc1nc(SCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)nc2ccccc12 16397484 IAGPRPUTYOCXEI-UHFFFAOYSA-N 398.488 3.768 0 40 GHAB Cc1ccc(C(=O)O)cc1N1C(=O)C[C@@H](Nc2ccc(Cl)c(Cl)c2)C1=O 16901184 LOMJMFCBNCBOET-CQSZACIVSA-N 393.226 3.744 0 40 GHAB Cc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1NC(=O)c1ccco1 18056200 USAYYIVMAORZQV-IYBDPMFKSA-N 398.459 3.787 0 40 GHAB O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1cnc(Cl)c(Cl)c1 18949419 XWGDJWQQFQJRRJ-UHFFFAOYSA-N 392.164 3.933 0 40 GHAB CC(C)c1nc2c(c(N3CCOCC3)n1)CCN(Cc1ccccc1Cl)C2 19453723 OGDUABGUEGUPET-UHFFFAOYSA-N 386.927 3.648 0 40 GHAB COc1ccc(C(=O)N2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c(OC)c1 19551952 SWTCRLUMVYVPQN-OAQYLSRUSA-N 396.418 3.605 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19566903 AXRDFYRZKVFZSG-KRWDZBQOSA-N 392.459 3.856 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)NCc2ccccc2)o1 19929156 VNIOYJRLHUTVAG-UHFFFAOYSA-N 389.864 3.807 0 40 GHAB COc1ccc(Cc2nnc(S[C@H]3CCc4ccccc4NC3=O)o2)cc1 20722228 UDKGDFHRUDYLDF-KRWDZBQOSA-N 381.457 3.715 0 40 GHAB CCCn1c(NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)nc2ccccc21 21597577 RNOBABZJTLNRSX-CYBMUJFWSA-N 384.867 3.857 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 21708573 HQSDBQYQQPJHAS-HXUWFJFHSA-N 399.487 3.924 0 40 GHAB O=C(NCC(=O)N1CCC[C@@H]1c1cccs1)c1cccc(Br)c1 22131820 GCGPQNJIMTZELF-CQSZACIVSA-N 393.306 3.604 0 40 GHAB CC(C)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 22273273 MDPCELOVTXFEJZ-UHFFFAOYSA-N 380.897 3.868 0 40 GHAB COc1cc2nc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)sc2cc1OC 22284190 OWZUVTDBRGCHSY-UHFFFAOYSA-N 385.445 3.721 0 40 GHAB O=S(=O)(c1ccc(NCCc2ccc(C(F)(F)F)cc2)nc1)N1CCCC1 22343040 YGHLMIKSXORWBC-UHFFFAOYSA-N 399.438 3.540 0 40 GHAB CN(C)[C@H](CNC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1Cl 23080287 BTUACYKXCSSONW-YVNCXZRQSA-N 380.879 3.716 0 40 GHAB Cc1ccnn1-c1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 23791029 XPGSVFDKJCPVSX-UHFFFAOYSA-N 394.906 3.792 0 40 GHAB O=C(NCCc1nnc2ccccn12)NCCC(c1ccccc1)c1ccccc1 24663172 XPOQDTJZURMBMM-UHFFFAOYSA-N 399.498 3.793 0 40 GHAB O=C(NCCOc1ccccc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 25985230 YKJSLQJYJAMPOB-UHFFFAOYSA-N 390.418 3.611 0 40 GHAB Cc1nnc2n1N[C@H](c1ccc(O)cc1)[C@@H](C(=O)c1ccc(Cl)cc1)S2 27525578 GYWVLUSIEKVPGP-WBVHZDCISA-N 386.864 3.588 0 40 GHAB COc1cc2c(cc1OC)C(=O)N(C)[C@H](c1cc(Br)cs1)N2 30539996 DPERSFDWDVZVPQ-CQSZACIVSA-N 383.267 3.724 0 40 GHAB COc1cccc(CC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 32716860 SICARZHIAZKAAU-UHFFFAOYSA-N 392.421 3.601 0 40 GHAB Cc1cc(C)cc(OCCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)c1 32769175 DNHQOSQXNOIEAE-OAQYLSRUSA-N 381.451 3.851 0 40 GHAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccccc1CN(C)C1CCCCC1 32902905 NYCMSLKFZAXALF-UHFFFAOYSA-N 382.508 3.623 0 40 GHAB O=C(CSc1ccc(F)c(F)c1)N1CCC[C@H](c2nnc3ccccn23)C1 40011996 ZZRADVPLAQBJMF-ZDUSSCGKSA-N 388.443 3.506 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)nc1 40086540 LLRPIGUVTCNWAV-OAHLLOKOSA-N 378.259 3.940 0 40 GHAB CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40096352 HTVNAPDGQJVDGF-IBGZPJMESA-N 387.524 3.789 0 40 GHAB COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(c3ccccn3)C2)cc1OC 40151841 IOGNIZKOKBEVBK-DLBZAZTESA-N 383.492 3.501 0 40 GHAB CCN(CC)C(=O)C[C@@H]([C@@H](CC(F)(F)F)C(=O)N(CC)CC)C(F)(F)F 45028183 ZISXYTBEXWOPPY-NEPJUHHUSA-N 392.384 3.860 0 40 GHAB Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 46422729 ZLADTUGVJJFEME-QGZVFWFLSA-N 378.501 3.912 0 40 GHAB CS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 48076886 NMCDWGDCRRDIMJ-UHFFFAOYSA-N 399.472 3.572 0 40 GHAB Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)NCc3cccc(F)c3)CC2)c1 48562110 YKIQZCLLRJTHQD-LJQANCHMSA-N 398.526 3.534 0 40 GHAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(I)cc2)cc1 48816844 NEVAVIIDCSZJNS-CYBMUJFWSA-N 395.240 3.797 0 40 GHAB CCCn1c(SCc2noc(C)n2)nc2ccc(Br)cc2c1=O 53224060 VQMSMZUGHXXUMX-UHFFFAOYSA-N 395.282 3.553 0 40 GHAB COCCN1COc2ccc3c(=O)c(-c4ccccc4OC)c(C)oc3c2C1 54313712 KLPPPYHQBMFOPC-UHFFFAOYSA-N 381.428 3.575 0 40 GHAB biogenic COc1ccc(CCN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 58061072 PJUFDLVVPJFZRI-UHFFFAOYSA-N 379.426 3.864 0 40 GHAB O=C(Nc1ccc(I)cc1F)c1ccc2nsnc2c1 59294577 SIMOFSDWOCVCMR-UHFFFAOYSA-N 399.188 3.687 0 40 GHAB CSc1cccc(NC(=O)C[C@H]2Sc3cc(C(=O)O)ccc3NC2=O)c1 61719673 IBSURKHILFPMJU-OAHLLOKOSA-N 388.470 3.548 0 40 GHAB Cc1ccc(-n2cc(C(=O)NCc3cccc(Br)c3)nn2)cc1C 67261895 RBMZVSVGMHVFFH-UHFFFAOYSA-N 385.265 3.577 0 40 GHAB COC(=O)/C(=C\Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C(C)C)cc1 67340548 OGSQJZLLXOHQGI-LDADJPATSA-N 377.437 3.849 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1OCC 72330908 QKJSTZHPFZJNKS-UHFFFAOYSA-N 391.851 3.862 0 40 GHAB Cc1cccc(Nc2ccc([C@@H]3CCCN3C(=O)c3cn(C)nc3C)nc2)n1 72353084 PIKLVPRCERKVGT-IBGZPJMESA-N 376.464 3.548 0 40 GHAB COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3scnc3C)C2)c1 72359036 IRPFRVBNPFBXCW-MRXNPFEDSA-N 394.500 3.937 0 40 GHAB Cc1cc(Cc2ccccc2)cc([C@H]2CCN(C(=O)CCc3nc(C)no3)C2)n1 72374818 ADMRSAOCQUUDAL-FQEVSTJZSA-N 390.487 3.621 0 40 GHAB Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN(CC(=O)N3CCCCC3)C2)n1 72374831 HYUPURVLKCUJLN-LJQANCHMSA-N 393.535 3.721 0 40 GHAB O=C(Nc1cccc(OCCN2CCOCC2)c1)c1csc2c1CCCC2 72392180 IUQLCERGFWTCSP-UHFFFAOYSA-N 386.517 3.590 0 40 GHAB COc1ccc(CN2C[C@@H](N(C)C)[C@H](c3cn(C)c4ccccc34)C2)cc1OC 72395139 WYQSPJSHNOCPQR-RBBKRZOGSA-N 393.531 3.725 0 40 GHAB Cc1cc(C)n(CCN2CCCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 75162635 NXWMHPFMJFZPIJ-UHFFFAOYSA-N 382.552 3.646 0 40 GHAB CC(=O)Nc1cccc2c1CCN(C(=O)CSc1nc3ccccc3s1)C2 83815579 JEEGRWPGEVRXJI-UHFFFAOYSA-N 397.525 3.932 0 40 GHAB COc1ccsc1S(=O)(=O)Nc1nnc(-c2ccccc2Cl)s1 83984412 KALHAUPOTGUMAU-UHFFFAOYSA-N 387.895 3.729 0 40 GHAB Cc1ccc2nc3c(cc(C(=O)Nc4ccc(C)c(Cl)c4)n3C)c(=O)n2c1 96347403 GZLQVRQBGWVCSA-UHFFFAOYSA-N 380.835 3.709 0 40 GHAB NC(=O)c1cccc2c1CCCN2C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 97392573 XHHLGXWZKTVDLR-HZPDHXFCSA-N 388.389 3.887 0 40 GHAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)NCc1ccccc1)c1cccc(F)c1 100426091 ZSOJELWQXUFZRU-NHCUHLMSSA-N 395.478 3.851 0 40 GHAB O=C1C[C@@H](c2cc(O)n3ncc(-c4ccccc4)c3n2)CN1Cc1ccccc1 100775583 BVSFNLNFXJRAID-GOSISDBHSA-N 384.439 3.618 0 40 GHAB C[C@@H](Oc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C(=O)c1ccccc1 102593066 RZWDZOBCJKFJNC-XMWJODTMSA-N 387.435 3.648 0 40 GHAB Cc1cnc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)s1 102674287 HBEUFZMWNWNRGE-GASCZTMLSA-N 382.489 3.607 0 40 GHAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4ccco4)C3=C(O)C2)cc1OC 102675065 GYAZCLMAIWSGJW-ZUOKHONESA-N 392.415 3.954 0 40 GHAB Cc1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc(C)c1OC(F)F 107547726 QGDBDQUTVNZOIP-UHFFFAOYSA-N 384.404 3.529 0 40 GHAB Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1 113958208 KVWIMLLPGSKGAZ-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB CCc1ccccc1NS(=O)(=O)c1cc2oc(=O)n(CC)c2cc1Cl 223362072 FSRLTGNJHDFCHE-UHFFFAOYSA-N 380.853 3.631 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCSCc2ccccc2F)c(C)c1 224809384 HEPFCJZPJRBVRM-UHFFFAOYSA-N 383.510 3.663 0 40 GHAB Cc1cccc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)c1 225494708 VOUQMTIJFKTDEE-IBGZPJMESA-N 382.504 3.624 0 40 GHAB O=C(CCc1cccc(Cl)c1)N1CC(n2cc(COc3ccccc3)nn2)C1 225626794 PAJOXUBOWFHENY-UHFFFAOYSA-N 396.878 3.527 0 40 GHAB COC(=O)c1ccc(C)c(NC(=S)NCCOc2ccccc2Cl)c1 225779980 KVQDPDUCEGMRGF-UHFFFAOYSA-N 378.881 3.800 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3cc(C)ccc3C)ccc21 225802743 RWKGQZOBKUTUQP-INIZCTEOSA-N 386.517 3.642 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)NCCCN1CCc2ccccc21 225813309 FXCIYZBRCOCVOU-UHFFFAOYSA-N 378.394 3.653 0 40 GHAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1C 225816561 KWYQCUMIBGKUDV-GOSISDBHSA-N 375.490 3.678 0 40 GHAB CCCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 225847438 PTLFEQUMRSIOQN-UHFFFAOYSA-N 386.517 3.666 0 40 GHAB COc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCc2ccc(C)cc2)n1 225942548 ZCHNBMVEMHIINY-OAHLLOKOSA-N 385.537 3.517 0 40 GHAB CCc1nc(CNC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2Cl)cs1 227153015 VQMLYPWAHOISIX-LBPRGKRZSA-N 390.896 3.628 0 40 GHAB Fc1cccnc1OCC[C@H]1CCOC12CCN(Cc1nccs1)CC2 247535144 QGAJJWIZKYGXAB-HNNXBMFYSA-N 377.485 3.517 0 40 GHAB CN1CCC[C@@H]2N(C(=O)c3cncc(Cc4cccc(F)c4)c3)CCC[C@@]21C 257263770 LRIUZBPTZKJEMT-GMAHTHKFSA-N 381.495 3.900 0 40 GHAB Cn1nccc1C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@@]31C2 257300242 RTPJFYDJQODCHL-ZIVVNCDHSA-N 379.504 3.733 0 40 GHAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1C[C@H]1CCCO1 260927573 YYYNEWBYJBSKPU-LYRGGWFBSA-N 379.938 3.948 0 40 GHAB O=C1CN(C(=O)CSCc2ccc(Br)cc2)c2ccccc2N1 408562576 BVWGVZHHTKUQFC-UHFFFAOYSA-N 391.290 3.668 0 40 GHAB Cn1nc(-c2ccccc2)c2c(NC(=O)CCc3ncc(C(C)(C)C)o3)[nH]nc21 549178255 ZWCDDEKHRSTWEH-UHFFFAOYSA-N 392.463 3.820 0 40 GHAB COc1ccc(Cl)c2c1N(C(=O)[C@@H]1CC(=O)Nc3cc(F)ccc31)CCC2 590249536 GNYMPKHIDBMGHR-CQSZACIVSA-N 388.826 3.893 0 40 GHAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)c1nc(COCC(F)(F)F)no1 680666554 JEMDULSEXAHNMH-SSDOTTSWSA-N 386.296 3.676 0 40 GHAB O=C([C@H]1CCC1(F)F)N1CCCCC[C@H](Nc2ccc(C(F)(F)F)nn2)C1 1615610849 PBDGPXRCYXUWET-NWDGAFQWSA-N 392.372 3.724 0 40 GHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)[nH]n1 1775969304 JWYSPVGHWGFMPU-IYBDPMFKSA-N 397.475 3.816 0 40 GHAB Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)cc1C 1775975207 BZWKMKSOGSSLKN-HOTGVXAUSA-N 379.913 3.710 0 40 GHAB CN(CC1CCN(c2nc3ccccc3o2)CC1)c1ncnc(C2CC2)c1F 1888919560 MVVRGDVHZHACKD-UHFFFAOYSA-N 381.455 3.987 0 40 GHAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2C[C@@H]1O 2332242792 QRECXBCCHZBERB-WKZKVMAPSA-N 379.479 3.928 0 40 GHAB COc1cc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc(OC)c1OC 677153 WJJZQYHINUHWQR-UHFFFAOYSA-N 396.395 3.527 0 40 GHAB biogenic CNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 884194 RODZIMPNWRIUBN-UHFFFAOYSA-N 395.528 3.660 0 40 GHAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1 917149 VXECDCOCNIYCFF-CQSZACIVSA-N 391.493 3.637 0 40 GHAB CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccccc1C)C(F)(F)F 2272545 DNXMFEMPAJRIDZ-SFHVURJKSA-N 380.366 3.659 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)c2ccc(Br)s2)ccc1O 3220066 BDNVNELMTGVMIK-XVNBXDOJSA-N 397.246 3.664 0 40 GHAB Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCCC1 3885462 RTNUTGLRRQCDBS-UHFFFAOYSA-N 386.304 3.977 0 40 GHAB CCCCOc1ccc(C(=O)NCCc2cc3ccc(OC)cc3[nH]c2=O)cc1 4032890 NOHSMVXAJOQMPE-UHFFFAOYSA-N 394.471 3.688 0 40 GHAB CCc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)s1 4101471 AIJBMSNYDXEQQX-UHFFFAOYSA-N 378.544 3.955 0 40 GHAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1nnc(-c2ccccc2)o1 4406756 RESNOWJMLWUDJV-UHFFFAOYSA-N 385.836 3.997 0 40 GHAB Cc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 4704240 MZXVIGFYLDMHKC-UHFFFAOYSA-N 380.469 3.829 0 40 GHAB CN1C(=O)N(C)[C@]2(c3ccccc3)N(C(C)(C)C)C(=O)N[C@]12c1ccccc1 4765403 WATLGMXWCKXWAM-FGZHOGPDSA-N 378.476 3.513 0 40 GHAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)cc1 4784221 GWEFGPSFTBWVQQ-LJQANCHMSA-N 388.261 3.985 0 40 GHAB COc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)sc2c1 4943363 LQSNVIMYZIJCLN-CQSZACIVSA-N 395.484 3.913 0 40 GHAB COc1ccc(-c2cn3c(CC(=O)NCc4cccs4)csc3n2)cc1 5146829 YAWQAKHCWWQSJV-UHFFFAOYSA-N 383.498 3.992 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 5200079 DALJJIVUFDEESD-CQSZACIVSA-N 394.393 3.948 0 40 GHAB Nn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1 5257231 NWTMCNWWIJJLBG-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB O=C1C2=N[C@H]3C(c4ccccc4)=NN=C(c4ccccc4)[C@H]3N=C2c2ccccc21 5682156 MDOFTYIVXZNKGC-PKTZIBPZSA-N 388.430 3.771 0 40 GHAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)Nc3c(C)cc(C)cc3C)ccc21 5805234 KAXBWYOUBBKHQQ-OAHLLOKOSA-N 380.448 3.560 0 40 GHAB CCC[C@@H](C)NC(=O)COC(=O)/C=C/c1c(C)nn(Cc2ccc(C)cc2)c1C 6608805 BNKYJTPWKUWVND-GZKZCVOOSA-N 397.519 3.718 0 40 GHAB COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3COC(=O)N32)cc(OC)c1OC 6627740 SCLLIEKCYQJGGW-ZUOKHONESA-N 394.427 3.660 0 40 GHAB COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3COC(=O)N23)cc(OC)c1OC 6627765 SCLLIEKCYQJGGW-XCLFUZPHSA-N 394.427 3.660 0 40 GHAB COc1ccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)cc1Cl 6736716 ABFLMSOSLCXQAI-UHFFFAOYSA-N 385.836 3.767 0 40 GHAB CCCCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)s1 6880443 JGABFUUEFIXPMP-LLVKDONJSA-N 378.885 3.526 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCc1ccccc1F 6951535 XWJMTOOMWVMAPW-GZTJUZNOSA-N 384.407 3.716 0 40 GHAB CCOc1ccc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)cc1 6963097 NLTGVHHDYZUVGH-UHFFFAOYSA-N 385.445 3.822 0 40 GHAB COc1ccc(NC(=O)COc2ccc(C(=O)Nn3c(C)ccc3C)cc2)cc1 7338030 SHUAFKORQMGYCO-UHFFFAOYSA-N 393.443 3.515 0 40 GHAB CC(C)OCCCNC(=O)CSc1nc(C(F)(F)F)nc2ccccc12 7382302 CPFWXUDPTPSWBH-UHFFFAOYSA-N 387.427 3.672 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8039970 GZPSMMVNXKIRPO-HXUWFJFHSA-N 399.512 3.862 0 40 GHAB Cc1cc(C(=O)COc2ccccc2C(=O)NCc2ccccc2)c(C)n1C 8879610 CJJCMEXDXAGODL-UHFFFAOYSA-N 376.456 3.834 0 40 GHAB CCc1cccc2c(C(=O)CN3C(=O)N[C@](C)(c4ccc(C)cc4)C3=O)c[nH]c12 8943088 BHHMDXZJVHAOOG-HSZRJFAPSA-N 389.455 3.689 0 40 GHAB CCCN(CCC)C(=O)Cc1csc(NC(=O)c2ccc(OC)cc2)n1 9627936 ZGKUZNGORYRNIE-UHFFFAOYSA-N 375.494 3.595 0 40 GHAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc2oc(C)nc2c1 9709970 ABSDKEUHDPTCRA-KRWDZBQOSA-N 398.438 3.882 0 40 GHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 10674656 GKHOIJUVYPOGHI-GFCCVEGCSA-N 384.295 3.887 0 40 GHAB O=C(NCCc1cn2ccccc2n1)c1cc2c(s1)-c1ccccc1OC2 11534447 SDPRXHDXAKSVEI-UHFFFAOYSA-N 375.453 3.928 0 40 GHAB CCOc1ccccc1-c1nc(CC(=O)OCc2ccc(C(N)=O)cc2)cs1 12167978 QXPVMGBYRQEQKU-UHFFFAOYSA-N 396.468 3.594 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(c2ccccc2O)CC1 12539765 UMCPFTDYDPEVBV-UHFFFAOYSA-N 397.475 3.926 0 40 GHAB CC(C)CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F 12546079 RQHDQBRBOFUHCF-UHFFFAOYSA-N 380.292 3.691 0 40 GHAB O=C(Nc1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)c1ccco1 12815656 RMGUHSRLTZMOSR-UHFFFAOYSA-N 390.848 3.664 0 40 GHAB CSc1nc2nc(C)c(CCC(=O)N[C@H](c3ccccc3)C(C)C)c(C)n2n1 12878067 OGKWCNZTBQOXQP-IBGZPJMESA-N 397.548 3.909 0 40 GHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)COc2ccccc21 12884668 LZUXCINIGQKXOE-UHFFFAOYSA-N 393.270 3.768 0 40 GHAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C2 12924552 UJPGPQCAJIIQRQ-MRXNPFEDSA-N 381.906 3.707 0 40 GHAB Cc1cc(/C=C/C(=O)Nc2cccc(C(N)=O)c2)c(C)n1-c1ccnn1C(C)C 12978089 SBYVDWZPHOCREO-CMDGGOBGSA-N 391.475 3.622 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12979448 CXQROHTZCSQKSZ-UHFFFAOYSA-N 397.519 3.696 0 40 GHAB CC[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc2c(c1)CCN2C(C)=O 12980363 SGNCCSZEERICEP-SFHVURJKSA-N 383.517 3.605 0 40 GHAB O=C(CSc1nc(O)c2sccc2n1)Nc1ccc(Br)cc1 12986817 DBUBLXSEVNSIIR-UHFFFAOYSA-N 396.291 3.890 0 40 GHAB CC(=O)N1C[C@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)Oc2ccccc21 12989900 ZOOGPCJWKBOKRG-MRXNPFEDSA-N 396.777 3.694 0 40 GHAB COc1ccc(CC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c(OC)c1OC 13018054 KFWMCFDMOHAXBP-GFCCVEGCSA-N 395.402 3.734 0 40 GHAB COc1cc(C)cc2oc(=O)c(CC(=O)Nc3cccc(C(C)=O)c3)c(C)c12 13574819 ZICGMXKKOPJXAR-UHFFFAOYSA-N 379.412 3.802 0 40 GHAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccc2c(c1)OCO2 13694979 XIDZGOWMDWQYRQ-UHFFFAOYSA-N 392.436 3.932 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(N2CCOCC2)nc1 14085310 ZXNLXNRLIHXLLK-UHFFFAOYSA-N 398.463 3.742 0 40 GHAB COCCN1C(=S)N[C@@H](c2cccc(F)c2)C(C(=O)Nc2ccccc2)=C1C 14254679 HUNXWZKCBNWRCE-IBGZPJMESA-N 399.491 3.616 0 40 GHAB CC(C)OC(=O)C[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccccc1 14404787 FIDFQHRHHSNMEJ-IBGZPJMESA-N 394.475 3.825 0 40 GHAB O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@@H]1c1nnc2ccccn12 15360186 KRWPUHZCEOYWOG-CYBMUJFWSA-N 397.287 3.562 0 40 GHAB CCCN(CCC)C(=O)Cn1c([C@H]2CCCN2C(=O)CC)nc2ccccc21 15922124 SLVMOJMICBWYFX-LJQANCHMSA-N 384.524 3.758 0 40 GHAB CC(=O)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1 16099671 IHAGTGJXQSJDRL-UHFFFAOYSA-N 390.205 3.731 0 40 GHAB C[C@@H]1CCCN(c2cc(C(=O)N3CCCC[C@@H]3CCN3CCCC3)ccn2)C1 19496617 CHOLBNBCTWXMEK-TZIWHRDSSA-N 384.568 3.799 0 40 GHAB COc1ccc(CCN2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc1 19890928 SSHDYMMSRDRWQJ-UHFFFAOYSA-N 391.467 3.993 0 40 GHAB COc1ccc(SCC(=O)NCCSCc2ccccc2F)cc1OC 19933127 ZAIXMOMMVGNGSK-UHFFFAOYSA-N 395.521 3.985 0 40 GHAB O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 21468499 ZZEDXOVZOQPCKG-KRWDZBQOSA-N 395.484 3.790 0 40 GHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)[C@H]1Cc2cc(Cl)ccc2O1 21599065 QYWTVRBDPAMYAG-MRXNPFEDSA-N 381.211 3.812 0 40 GHAB O=C(CCN1CCN(c2ccc(O)cc2)CC1)Nc1cccc2ccccc12 22197761 SMEASELLRCVLLP-UHFFFAOYSA-N 375.472 3.696 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c(C)c1 22328556 XNGLGNVLDUPXPS-SFHVURJKSA-N 388.533 3.564 0 40 GHAB Cc1ccc(C)n1-c1sccc1C(=O)OCc1cc(=O)n2ccsc2n1 22533325 ZFYUIXXJFALNOM-UHFFFAOYSA-N 385.470 3.582 0 40 GHAB CC(=O)Nc1cccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1C 23174953 AOMUROFVEIDZQF-NRFANRHFSA-N 377.444 3.856 0 40 GHAB CC[C@@H]1CCCCN1C(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 23466428 PSGHWLMTJSRGOC-MRVPVSSYSA-N 394.686 3.572 0 40 GHAB CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cc1 24434758 AEHIQYUHIJXSHY-GOSISDBHSA-N 387.505 3.592 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)cc1 24837889 JGQITSDYHAEVAS-UHFFFAOYSA-N 386.452 3.669 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(N2CCCC2=O)cc1 25318847 PJALCMVUVZMYRI-UHFFFAOYSA-N 388.851 3.801 0 40 GHAB Cn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2ccsc2c1=O 26109096 HORRCLSMTBCQIK-UHFFFAOYSA-N 390.877 3.991 0 40 GHAB CCn1ncc(Br)c1C(=O)NCc1cccc(C(F)(F)F)c1 28223900 QBWQNHVMCBBTKS-UHFFFAOYSA-N 376.176 3.614 0 40 GHAB Cc1ccnc(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Br)c2C)c1 28234635 QNDOJWLMTQQVAQ-VIFPVBQESA-N 391.191 3.876 0 40 GHAB Cc1cc(C)c(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1C 31745221 VJJLLVSWXCULCG-OAHLLOKOSA-N 392.546 3.621 0 40 GHAB O=C(CCc1ccccc1F)NCCNC(=O)c1ccc(Cl)c(Cl)c1 31768088 MVEKFKAIKHCCFR-UHFFFAOYSA-N 383.250 3.611 0 40 GHAB C[C@@H]1[C@@H](c2ccc(Cl)cc2)c2cc3c(cc2O[C@@H]1N1CCOCC1)OCO3 31860867 MTZMFRTXAVZTJP-UBWHGVKJSA-N 387.863 3.887 0 40 GHAB COc1ccc(Cc2n[nH]c(SCC(=O)Nc3ccc(C)cc3F)n2)cc1 32579583 OAVVMAQZJHUNOA-UHFFFAOYSA-N 386.452 3.582 0 40 GHAB O=C(Nc1nc(CC(=O)N(Cc2ccc(F)cc2)C2CC2)cs1)c1ccco1 32744776 YOEAQRRILUVPEO-UHFFFAOYSA-N 399.447 3.861 0 40 GHAB O=C(Nc1ccccc1F)[C@H]1CC(=O)N(c2ccccc2Br)C1 32796253 AYAIAXVKNJHKEB-NSHDSACASA-N 377.213 3.580 0 40 GHAB CCOC(=O)[C@H]1CSCCN1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 32894267 VAXMELGGJLJIGV-GOSISDBHSA-N 389.448 3.739 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)Cc3nc(-c4ccccc4)oc3C)ccc21 32900420 KMHNYSIRYLANSW-UHFFFAOYSA-N 375.428 3.740 0 40 GHAB CC(C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)Nc1ccccc1 32902230 NHSWNQAQTBZVNV-KBXCAEBGSA-N 383.517 3.986 0 40 GHAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)[C@@H]1C 32957464 RQYHGRKSCNFSKA-STXHMFSFSA-N 383.488 3.948 0 40 GHAB Cc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(Br)s3)c2c1 36612446 ZLIAULZSTLNMTO-UHFFFAOYSA-N 399.335 3.821 0 40 GHAB Cc1ccc(-n2nnc(C(=O)NCc3ccccc3F)c2-c2cccnc2)cc1 38487476 RAZXJVMWEANBMR-UHFFFAOYSA-N 387.418 3.707 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Br)cc2)o1 39477352 LRNHQIIAWAEBMT-LLVKDONJSA-N 396.310 3.992 0 40 GHAB COc1ccc(-c2nc(CC(=O)OCCOc3ccccc3)cs2)cc1OC 39576318 BOHZJMPGIRHVPR-UHFFFAOYSA-N 399.468 3.992 0 40 GHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc(-n2cccn2)nc1 40087710 ZIADXPHSEKAWSA-UHFFFAOYSA-N 394.385 3.600 0 40 GHAB COc1ccccc1[C@H](CNC(=O)c1ccc(CSC(F)F)o1)N(C)C 40090998 BZSCAEKEEPQKQB-AWEZNQCLSA-N 384.448 3.777 0 40 GHAB Cc1sc2ncnc(SCC(=O)N3CCO[C@@H]4CCCC[C@@H]43)c2c1C 46492026 CXPWOFUBOSSNMY-UONOGXRCSA-N 377.535 3.570 0 40 GHAB CN(c1ccsc1C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccccc1 48986830 NNESOBKJFFPVCA-UHFFFAOYSA-N 390.461 3.965 0 40 GHAB COc1ccc(-n2nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2N)cc1Cl 57509168 ODRKWIYEZPMPPP-UHFFFAOYSA-N 392.246 3.726 0 40 GHAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)cc1 58023024 XZZNYDGZEZDQBC-XEDBTPMOSA-N 398.528 3.537 0 40 GHAB O=C(C1CC1)N1CCC(C(=O)N(CCc2ccccc2)c2ccccc2)CC1 58192357 JFGTXMYRPMWZIW-UHFFFAOYSA-N 376.500 3.911 0 40 GHAB COc1ccc(CCC2CCN(C(=O)c3ccc4nnc(C)n4c3)CC2)cc1 58417769 XUEVYPMQXBDBIK-UHFFFAOYSA-N 378.476 3.531 0 40 GHAB CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccc3c(c1)CCCN3C)C2 64561424 FCNOCDOYWYTOAT-UHFFFAOYSA-N 378.476 3.618 0 40 GHAB CC1CCN(c2ccc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)cc2)CC1 65528664 NZZCJVJHNCEAAL-UHFFFAOYSA-N 396.516 3.909 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)NCc2ccc(C)c(C)c2)cc1OCC 67197641 YSQIWKLSONZZQN-UHFFFAOYSA-N 385.460 3.574 0 40 GHAB Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)C2CCOCC2)C3)cc1 67338924 PLTXPYLNBGGYCK-UHFFFAOYSA-N 393.487 3.950 0 40 GHAB CC(=O)Nc1nc2ccc(NC(=O)c3cnc(-c4ccccc4)nc3)cc2s1 67865000 MZQVUJIIYXTIEE-UHFFFAOYSA-N 389.440 3.964 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 72221904 OZSGTXYFLMMORI-IBGZPJMESA-N 375.490 3.928 0 40 GHAB CCCOc1c(Cl)cc(C(=O)N[C@H](C(=O)OCC)[C@@H](C)CC)cc1OC 72303244 VDCGBPIRGJNOOM-LRDDRELGSA-N 385.888 3.845 0 40 GHAB O=C(COC(=O)c1ccc(F)cc1Cl)NCc1ccccc1C(F)(F)F 72333975 JLGIFNIGPNHJRX-UHFFFAOYSA-N 389.732 3.971 0 40 GHAB CCN(CC)C(=O)CN1CCC[C@@H](c2cccc(-c3cccc(OC)c3)n2)C1 72348752 VPARGJXYYQLIMX-LJQANCHMSA-N 381.520 3.805 0 40 GHAB Cc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)C(C)C)c1 79112500 WCIIJXYXNZPNOM-FQEVSTJZSA-N 399.516 3.700 0 40 GHAB CN1C[C@H](C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1=O 83877339 GZQLCXKGMSDGTR-PBHICJAKSA-N 395.890 3.548 0 40 GHAB O=C(c1cc2c(s1)CCCCCC2)N1CCN(C(=O)c2ccccc2O)CC1 89809704 FOUUJQFJWSYMNE-UHFFFAOYSA-N 398.528 3.711 0 40 GHAB Cn1ccnc1SCC1CCN(C(=O)CCSc2ccccc2)CC1 90608212 DEMLELMCQXHRIA-UHFFFAOYSA-N 375.563 3.933 0 40 GHAB COC(=O)c1nc(NC(=O)Cc2c(C)noc2C)sc1-c1cccc(F)c1 95477932 FPEVRYCVBKZZBI-UHFFFAOYSA-N 389.408 3.522 0 40 GHAB COc1ccccc1[C@@H](C)NCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 95989755 PNQBDKDLDDMPPQ-QGZVFWFLSA-N 378.476 3.787 0 40 GHAB CC1=C(C(=O)OCC(C)C)C(c2cccnc2)C(C(=O)OCC(C)C)=C(C)N1 100952620 KVPAMEMYQLETCL-UHFFFAOYSA-N 386.492 3.715 0 40 GHAB COc1ccc(N(CCCC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1 222597914 IHZHSDCYJVCSNM-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cn2ccnc2)cc1 224866585 CVDGCASDWQFEPK-UHFFFAOYSA-N 393.834 3.565 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)N[C@@H](C)CC)cc1 225000398 FPIWSAJKUNCKML-RBUKOAKNSA-N 396.531 3.960 0 40 GHAB COCCOc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cn1 225931782 FBKMHPYCKUJGJB-UHFFFAOYSA-N 388.467 3.782 0 40 GHAB O=C(C1CC1)N1CCCc2cc([C@H](O)CN3CC[C@H]4CCCC[C@@H]4C3)ccc21 247757063 FCLGTCLZAQCHJG-ODOSVJCGSA-N 382.548 3.921 0 40 GHAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCCN(Cc2ccccn2)C1 257308517 TWZPOTAFRFFKMI-OAHLLOKOSA-N 380.517 3.773 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCCN2CCC[C@H](C)C2)cc1C(C)C 260800796 XJUDUAMBOOREJL-INIZCTEOSA-N 382.570 3.527 0 40 GHAB Cc1cccnc1NC(=O)c1nc(-c2ccnn2C2CCCC2)n2ccncc12 306130791 JPLSMLUSXVPEAG-UHFFFAOYSA-N 387.447 3.664 0 40 GHAB CC(C)Sc1ccc(CC(=O)N2CC(N3CCc4ccccc4C3)C2)cc1 390829213 XKIZQIKPSGEEIL-UHFFFAOYSA-N 380.557 3.999 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(C(C)(C)C)c2C)C1=O 409017116 FAJPXSNBIVZXJO-QQFZQELXSA-N 378.494 3.848 0 40 GHAB COc1ccc2onc(CC(=O)N[C@@H]3c4ccccc4CC34CCOCC4)c2c1 515002391 HQJGHRGDTPESAT-JOCHJYFZSA-N 392.455 3.589 0 40 GHAB COc1ccc(Br)c(C(=O)NCC[C@H](CCO)c2cccs2)c1 575608760 YFNUWZFKAQZCAF-GFCCVEGCSA-N 398.322 3.805 0 40 GHAB CN(C)[C@H](CNC(=O)c1cncc(Br)c1)c1cc2ccccc2o1 575620758 LYNADROWVKIGEK-OAHLLOKOSA-N 388.265 3.623 0 40 GHAB O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)c1ocnc1C(F)F 585123552 WTKPBLWJPAPHTQ-LLVKDONJSA-N 396.394 3.826 0 40 GHAB Cc1cccc(-n2cnc3cc(C(=O)N4CCC[C@H]([C@@H]5CCNC5)C4)ccc32)c1 662522598 MGTLUZBCDYIVFA-UXHICEINSA-N 388.515 3.796 0 40 GHAB O=C(CN1CCC[C@H]1[C@@H](O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1196773908 VYJXZZGXVIBOEE-HKUYNNGSSA-N 394.393 3.722 0 40 GHAB Cc1sc2nc(SCCOc3ccc4c(c3)OCO4)nc(N)c2c1C 1643636364 FLSKRYBUYRLNKJ-UHFFFAOYSA-N 375.475 3.790 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NC[C@]1(O)CCCc2sccc21 1889241341 XJKVPDMOUXXFIU-QGZVFWFLSA-N 386.300 3.774 0 40 GHAB O=C1CC2(CCN(Cc3ccc(Cl)cc3F)CC2)Nc2ccccc2CN1 2037980695 FKXHKESNNSQSSY-UHFFFAOYSA-N 387.886 3.946 0 40 GHAB CC(=O)N1CCCCN(Cc2ccc(Cl)cn2)CCOc2ccccc2C1 2037985812 XCCCQRJWQBKKLF-UHFFFAOYSA-N 387.911 3.758 0 40 GHAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1OC 803118 DOTPQRYUNQHMCK-HUUCEWRRSA-N 385.855 3.677 0 40 GHAB COc1cccc(-c2ccc3c(N)c(C(=O)NCC(F)(F)F)sc3n2)c1 1300797 OEKZCHIHKBJNAF-UHFFFAOYSA-N 381.379 3.846 0 40 GHAB Cc1nc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)sc1C 1346272 NPBMPGPDPOTBHX-UHFFFAOYSA-N 396.501 3.620 0 40 GHAB O=C(Nc1ccc(I)cn1)c1cccc(C(F)(F)F)c1 1382823 YIMRTTNIVIBVPM-UHFFFAOYSA-N 392.118 3.957 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1 2630626 RPHZVFRIUGRDBX-MRXNPFEDSA-N 375.266 3.842 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)cc1OC 2640917 KDHBHPFCXWQQSX-PKNBQFBNSA-N 379.412 3.933 0 40 GHAB CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1C(=O)OC(C)C 2748632 PYBWIVRQHRNOEB-ZIAGYGMSSA-N 379.478 3.790 0 40 GHAB O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1Cl 3248009 DMMMUUYYPDBVBP-UHFFFAOYSA-N 382.199 3.560 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1F)N1CCCCC1 3319280 UROZPPLDUKVZBA-UHFFFAOYSA-N 397.479 3.573 0 40 GHAB CCCc1nc2ccccc2c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1CC 3398114 OTLCKEBWSACHHQ-UHFFFAOYSA-N 399.491 3.531 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCc4ccccn4)c(C)c3cc12 4000432 NYUQQJLATZWYGT-UHFFFAOYSA-N 376.412 3.718 0 40 GHAB biogenic COc1ccc(-c2c(C)nn3c(=O)cc(Cc4ccccc4)[nH]c23)cc1OC 4386336 RMYFWXBXJCATMS-UHFFFAOYSA-N 375.428 3.606 0 40 GHAB CSc1nc2ccc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)cc2s1 4496399 VDNBNJGAYAFRTF-UHFFFAOYSA-N 396.490 3.570 0 40 GHAB COc1ccc(C(=O)c2cc3c(cc2NC(=O)c2ccco2)OCCO3)cc1 4733229 MQKRKTQMRGTWQX-UHFFFAOYSA-N 379.368 3.543 0 40 GHAB O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1nnc(-c2ccccc2)o1 4767815 FQDJNJBCOKICAE-UHFFFAOYSA-N 397.456 3.863 0 40 GHAB C[C@@H](NC(=O)COC(=O)c1n[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 4822608 LAMADZBZEWCLLA-SNVBAGLBSA-N 392.242 3.904 0 40 GHAB COc1ccc(-c2noc(-c3nnn(-c4cccc(Cl)c4C)c3N)n2)cc1 5043187 OLTBSNMNFHBONA-UHFFFAOYSA-N 382.811 3.537 0 40 GHAB CCCCN(c1ccccc1)S(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 5153467 ZJFCRGJHPROXSE-UHFFFAOYSA-N 384.501 3.517 0 40 GHAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc(C(=O)OC)c2)C1=O 5307116 BVTYVRNMOKWYOC-QFIPXVFZSA-N 398.434 3.750 0 40 GHAB Cc1ccccc1-c1nnc(SCC(=O)N2CCC(c3ccccc3)=N2)o1 5435178 PIGFSWLNXZKHHI-UHFFFAOYSA-N 378.457 3.774 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2C)cc1 5477898 GBDQQCBLHRURRK-UHFFFAOYSA-N 381.505 3.587 0 40 GHAB COC(=O)c1ccc(CSc2nnc(NC(=O)Cc3ccccc3)s2)cc1 5549684 KKISJAZZIRKQHB-UHFFFAOYSA-N 399.497 3.798 0 40 GHAB Cc1c(NC(=O)[C@@H](C)Oc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 5752511 NPTZWEGPAIFSKS-CQSZACIVSA-N 385.851 3.544 0 40 GHAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 5780040 APAWHOMDVVFCMP-SNVBAGLBSA-N 393.440 3.841 0 40 GHAB COc1ccc2cc([C@@H]3S[C@H](C)C(=O)N3[C@@H]3CCCO3)c(Cl)nc2c1 5919709 CETSQLURVNJOHK-LOTHZSBOSA-N 378.881 3.996 0 40 GHAB Cc1nn([C@@H](C)C(=O)N(C)C23CC4CC(CC(C4)C2)C3)cc1Br 6527454 LKUUVOXRBGKBTG-IHWZXDPASA-N 380.330 3.942 0 40 GHAB O=C(Nc1ccccc1N1CCCC1)c1ccc(CSc2ncn[nH]2)cc1 6653533 QFZVFZLEKQZZAN-UHFFFAOYSA-N 379.489 3.950 0 40 GHAB CCOc1cc(C(=O)OCC(=O)c2ccccc2)cc(Br)c1OC 6656424 CCEZZDAVCIEABT-UHFFFAOYSA-N 393.233 3.896 0 40 GHAB CCOc1cccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)c1 6657201 IYQPFVSRVTXICO-UHFFFAOYSA-N 378.837 3.564 0 40 GHAB CCCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCc3ccncc3)c12 6659483 OBVGDWKDFUSXCK-INIZCTEOSA-N 394.471 3.923 0 40 GHAB COc1ccc(C)cc1NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 6876328 ALPLUYVUVOQDRS-UHFFFAOYSA-N 396.399 3.543 0 40 GHAB CCC1(CC)NC(=O)N(CC(=O)N(Cc2ccccc2)c2cccc(C)c2)C1=O 7019370 ASRAQCSGCVXPGM-UHFFFAOYSA-N 393.487 3.639 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 7667598 WCDLEHJATZOHID-HILYYZTDSA-N 375.534 3.815 0 40 GHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(SC)cc2)C1=O 8088227 FEJPJHXQAYFMKG-LDADJPATSA-N 395.484 3.502 0 40 GHAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)NC(C)C 8475873 XGHCQBNBPHAEMG-UHFFFAOYSA-N 390.505 3.758 0 40 GHAB COc1cc(CNC[C@H](C)O)cc(Br)c1OCc1ccccc1F 8497882 NIHDAKLZNZBEIH-LBPRGKRZSA-N 398.272 3.646 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)o1 8571631 XNKPXKQRXZWPRB-HIFRSBDPSA-N 375.494 3.744 0 40 GHAB Cc1ccc(Cl)cc1-n1nnc(-c2nc(-c3ccc4c(c3)OCO4)no2)c1C 8673309 GSFIWVWIXZWLCG-UHFFFAOYSA-N 395.806 3.983 0 40 GHAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccccc1OC 9002300 NJJKZEJWYOAPJM-UHFFFAOYSA-N 391.470 3.887 0 40 GHAB CCn1nc(NS(=O)(=O)c2ccc(F)cc2)c2cc3cccc(C)c3nc21 9088005 VDNDXAMBUVVSHY-UHFFFAOYSA-N 384.436 3.853 0 40 GHAB CSc1cccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 9699573 PEYQSZPZWVXJJX-GFCCVEGCSA-N 398.937 3.855 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 10763065 VJHLKQNBHSEQSQ-LJQANCHMSA-N 394.496 3.879 0 40 GHAB CCOC(=O)c1sc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1C 11758749 SCYNVFZZQBALKK-UHFFFAOYSA-N 393.486 3.735 0 40 GHAB Cc1cc(C(C)(C)C)oc1C(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2 12183522 XXTQQMGQMAPZMN-UHFFFAOYSA-N 382.460 3.640 0 40 GHAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2nc3ccccc3n2C(F)F)C1=O 12544537 IMJQUDFHBLQIDM-IBGZPJMESA-N 388.349 3.538 0 40 GHAB Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(N)=O)cc2)c1 12551481 NDTGYPZHUYYLKF-JOCHJYFZSA-N 387.439 3.630 0 40 GHAB Cc1ccc(-n2c(SCc3ncc(Cl)n3C)nnc2N2CCCC2)cc1 12610304 HTCYMFZGBUSJKW-UHFFFAOYSA-N 388.928 3.855 0 40 GHAB O=C(CNC(=O)c1ccc(F)cc1F)N[C@@H]1CCSc2ccc(Cl)cc21 12730449 OQIYOUHAINBZGS-OAHLLOKOSA-N 396.846 3.701 0 40 GHAB Cc1sc2ncn(CCC(=O)Nc3ccc(O)c4ccccc34)c(=O)c2c1C 12731514 CFJLEBOKHCUPLM-UHFFFAOYSA-N 393.468 3.962 0 40 GHAB O=S(=O)(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 12816383 OOFYKTSFZROMOJ-FQEVSTJZSA-N 395.480 3.720 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)CCc2ccc(F)cc2)CC1 12882963 QJVVPUXHWZEJEW-UHFFFAOYSA-N 397.446 3.651 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nc2ccsc2c1=O 12897109 JJRPQSMRPRQCKE-LLVKDONJSA-N 389.502 3.606 0 40 GHAB Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)c4cc(C)sc4C)cnc32)c1 12903251 RDQOQMQZUNJZFE-UHFFFAOYSA-N 392.484 3.760 0 40 GHAB CC[C@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(OC(F)F)cc1 13020260 GCSSDVPGBKTBPZ-HNNXBMFYSA-N 394.443 3.615 0 40 GHAB Cc1cccn2cc(-c3ccc(NC(=O)CNC(=O)c4ccccc4)cc3)nc12 13568846 HCXQMGFIAMMYRJ-UHFFFAOYSA-N 384.439 3.678 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2Cn2nc3n(c2=S)CCCCC3)c1 14197105 LULCZWQTVCNMJH-KRWDZBQOSA-N 388.537 3.952 0 40 GHAB Cc1nn2c(nc(Sc3nnnn3Cc3ccco3)c3ccccc32)c1Cl 14308651 LXKMGROMLDHLGD-UHFFFAOYSA-N 397.851 3.623 0 40 GHAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 15040752 BSZIVYJPTNXVLU-PCUGXKRQSA-N 398.484 3.509 0 40 GHAB Cc1ccc(-c2cc(N3CCC(C(N)=O)CC3)nc(SCC(C)C)n2)cc1 15859170 AJKIVNGLUMGICI-UHFFFAOYSA-N 384.549 3.902 0 40 GHAB O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCc1ccco1 16047471 OTIODNBUVUNWQE-UHFFFAOYSA-N 390.852 3.892 0 40 GHAB COc1ccc([C@@H](C)NCC(=O)NCCSCc2cccs2)cc1F 16695512 ZYYIDRFCVUNLKF-CYBMUJFWSA-N 382.526 3.596 0 40 GHAB COc1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2Cl)C(=O)N(C)C)cc1 16873034 VGQJSKYCCSYQTJ-LICLKQGHSA-N 393.270 3.861 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C(=O)NC3CC3)c3ccccc3)cc2)n1 17653245 INPFNPOKYYDULP-NRFANRHFSA-N 389.455 3.666 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2SC(c3cc4ccccc4oc3=O)=NC2=O)cc1 18992323 FIOUZKOYHYFHAA-KRWDZBQOSA-N 392.436 3.519 0 40 GHAB Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 19214608 VDNGNESNRRWVFW-CALCHBBNSA-N 390.487 3.653 0 40 GHAB C[C@@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1nc2ccccc2s1 19459854 NOVGVFCMNZHMEV-GFCCVEGCSA-N 379.445 3.551 0 40 GHAB COc1cccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)c1OC 19567695 RQQBUPBHOBEBAZ-UHFFFAOYSA-N 380.448 3.528 0 40 GHAB COc1cc(OC)c(OC)cc1CN1CCC[C@H](c2cc3cccnc3[nH]2)C1 19594966 NADXULOTRDBKSP-INIZCTEOSA-N 381.476 3.968 0 40 GHAB Cn1c([C@@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)nc2ccccc21 19717763 LSVYMMFVHLDOFI-MRXNPFEDSA-N 387.487 3.788 0 40 GHAB CCc1nc(NC(=O)CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)sc1C 19719819 NGVJKFOLMPYXNY-HNNXBMFYSA-N 397.548 3.783 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 19932664 FWZKBOITECVFQW-OAHLLOKOSA-N 394.924 3.600 0 40 GHAB CCC(=O)c1cc(Cl)ccc1OS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 20000091 GNBWLYKMMWKMRU-UHFFFAOYSA-N 393.848 3.585 0 40 GHAB O=S(=O)(Cc1ccc(Br)cc1)N[C@H]1CCCc2ccccc21 20104934 ODJVHERLUHWQBA-KRWDZBQOSA-N 380.307 3.946 0 40 GHAB CCN(CC)Cc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 20110296 MBRUZFDXYDJIHL-UHFFFAOYSA-N 381.520 3.613 0 40 GHAB CC(C)CNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 20190056 LDCCZXXROBYGPS-UHFFFAOYSA-N 383.521 3.633 0 40 GHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)NCCc1ccccc1 21882482 HXOVGMBSVGTLQK-UHFFFAOYSA-N 395.528 3.545 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc3c(c2)OCC(=O)N3)cc1 24393209 KMIXNQWHJOBLPZ-LJQANCHMSA-N 380.444 3.784 0 40 GHAB O=C(CCc1ccco1)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 24976289 OGROSEPKMVLBSO-UHFFFAOYSA-N 388.420 3.791 0 40 GHAB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2Cl)c1 25047635 BWYZKGHSLFSDGL-UHFFFAOYSA-N 380.897 3.931 0 40 GHAB CC(C)[C@@H](CNC(=O)c1cc2ccccc2oc1=O)N1CCc2ccccc2C1 25536483 KHPOBYOUXIESHF-OAQYLSRUSA-N 390.483 3.606 0 40 GHAB Cc1cc(=O)c(C(=O)OCc2ccccc2C(F)(F)F)nn1-c1ccccc1 25851811 HTGOXQQXSNTHES-UHFFFAOYSA-N 388.345 3.917 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)c1ccccc1OC(F)F)N1CCCC1 27572587 LYYFCEBSVAINCI-QGZVFWFLSA-N 390.430 3.864 0 40 GHAB CN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc2ccccc2c1 28942862 YRILDJUWSCSYBE-UHFFFAOYSA-N 379.441 3.711 0 40 GHAB Cc1cc(C(=O)NCc2ccc(N3CCCC3)nc2)c(C)n1Cc1ccco1 30298300 UFRBBOVMAJABDU-UHFFFAOYSA-N 378.476 3.671 0 40 GHAB CCCc1nnc2sc(-c3ccc(CNC(=O)c4ccccc4)cc3)nn12 30822845 SANCFMVSUJCQSE-UHFFFAOYSA-N 377.473 3.735 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)c1nc2ccccc2s1 32721652 NCFLSQVMSIOUKG-LBPRGKRZSA-N 375.471 3.926 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)Oc1ccc(F)cc1Br 32994663 HJJHRZIJDOKIKB-UHFFFAOYSA-N 394.196 3.882 0 40 GHAB COCCN1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 35588217 ORTJFKDIZYRKTJ-UHFFFAOYSA-N 380.897 3.540 0 40 GHAB COc1c(Br)cc(CN[C@H](C)[C@@H]2CCCO2)cc1Br 36325300 WABWGAIOYKYRMC-RNCFNFMXSA-N 393.119 3.877 0 40 GHAB COc1ccccc1NC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 40155900 FLBRYYGIVAFUPK-AWEZNQCLSA-N 398.381 3.618 0 40 GHAB O=C1O[C@H](CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c2ccccc21 40162208 IYCFIWMLMZOQJS-HXUWFJFHSA-N 393.439 3.988 0 40 GHAB COc1cc(OC)c(C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)cc1OC 47409298 RKSJPKQXNKGIPT-UHFFFAOYSA-N 399.422 3.906 0 40 GHAB Cc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)c(Cl)c1)CC3 48987762 ONSPETFEVFHVHV-UHFFFAOYSA-N 395.890 3.795 0 40 GHAB COc1cccc([C@@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)c1 49549609 SLNORHSVQGQFPH-INIZCTEOSA-N 384.432 3.795 0 40 GHAB COc1ccc(CN(Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)cc1OC 53536280 NXNRBPIRGLXTCF-KRWDZBQOSA-N 381.476 3.761 0 40 GHAB Cc1cccc(N2CCN(Cc3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)c1C 58373146 RKZPUJYKBIKFNQ-UHFFFAOYSA-N 382.533 3.540 0 40 GHAB Cn1ccs/c1=N\C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 59289426 LFGYCEMVARGYAL-MNDPQUGUSA-N 390.262 3.778 0 40 GHAB COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)NCc1cccnc1 61240596 QRPDCKMJTXUKKL-OUKQBFOZSA-N 387.439 3.672 0 40 GHAB Cc1noc(C)c1CN1CCC([C@@H]2CCCCCN2C(=O)NC(C)C)CC1 69778288 WQHBGXHMQBVGLA-FQEVSTJZSA-N 376.545 3.866 0 40 GHAB CCc1cc(C(=O)N2CCC(c3nccnc3Oc3cccnc3C)CC2)on1 72384329 IZYNEXRHDGZCGK-UHFFFAOYSA-N 393.447 3.543 0 40 GHAB CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC2(C1)OCCO2 77011454 LYIRVIKBEJEIMX-UHFFFAOYSA-N 384.270 3.706 0 40 GHAB CC(C)(C)[C@H]1CCN(Cc2ccc(OCC(=O)Nc3ccccc3)cc2)C[C@@H]1O 95467757 MADZDLNMXDGUDU-VXKWHMMOSA-N 396.531 3.933 0 40 GHAB CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(Cl)ccc3O)n2)CC1 95629687 GJBKSHZYWGUBDT-UHFFFAOYSA-N 390.871 3.560 0 40 GHAB Cc1ccc(-c2nc(CN3CCN(c4cc(C)nc(C(C)C)n4)CC3)no2)cc1 96889848 CPFXSGJAOSYYLS-UHFFFAOYSA-N 392.507 3.589 0 40 GHAB O=C(Cc1ccc(F)cc1)NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98212618 BSBNYNXYIXXUMU-UHFFFAOYSA-N 378.451 3.544 0 40 GHAB CCN1c2ccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)cc2-c2ccccc2S1(=O)=O 106359930 OOPLRQJNQNNOHU-DOXZYTNZSA-N 396.512 3.801 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 222586371 FOYJLJDKOCBPOP-ZDUSSCGKSA-N 394.899 3.735 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(OC)c(Cl)c3)n2)cc1 224080114 JVPGPWHELWBBHX-UHFFFAOYSA-N 387.823 3.679 0 40 GHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 224087380 RVUGHJKDHNBQLN-QGZVFWFLSA-N 386.923 3.869 0 40 GHAB Cc1ccc(-c2noc(CN(C)C(=O)COc3cccc4c3CCCC4)n2)cc1 224389853 IXJZKJPTRJKMCC-UHFFFAOYSA-N 391.471 3.961 0 40 GHAB CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224890097 AXOFACLVCNJWSO-UHFFFAOYSA-N 397.294 3.623 0 40 GHAB CCN(CC)Cc1nc(C2(O)CCN(Cc3ccc(F)cc3)CC2)cs1 225462919 KEDAVUYHACRKPE-UHFFFAOYSA-N 377.529 3.608 0 40 GHAB biogenic,in-vitro CCOC(=O)c1cnc(-c2cccc(N)c2)nc1Nc1ccc(OC)c(OC)c1 226103960 PELKSFBFMYLTMV-UHFFFAOYSA-N 394.431 3.663 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@@]3(C[C@@H](Oc4cccc(F)c4)CO3)C2)s1 257209764 BRUDPHXFHDNGHU-YLJYHZDGSA-N 390.480 3.742 0 40 GHAB O=C1CCCC[C@]2(CN(C(=O)Cc3ccc(F)cc3)C[C@H]2c2cccc(F)c2)N1 257271764 MZSCDNMGGUNCME-NZQKXSOJSA-N 398.453 3.562 0 40 GHAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cccc(Cc2ccccc2F)n1 257273945 NIXCNNHRKLDKMS-GMAHTHKFSA-N 381.495 3.900 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 260529633 TVMNZHMIRCCKJH-DLBZAZTESA-N 394.581 3.955 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)C(C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 260899517 LPFGRRHVXIROHP-RISCZKNCSA-N 395.352 3.699 0 40 GHAB CCN(CC(=O)O)C1CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 263454457 BOHNGZURSKXEJJ-UHFFFAOYSA-N 393.487 3.661 0 40 GHAB CCN(Cc1ccccc1)C(=O)c1nc([C@@H]2CCCN2C(C)=O)n2ccccc12 306130546 JJCHLGVJWJHTNN-FQEVSTJZSA-N 390.487 3.680 0 40 GHAB CCN(Cc1ccccc1)C(=O)c1nc(-c2ccnn2C(C)C)n2ccncc12 306143232 XWVCLLKLBTTZAG-UHFFFAOYSA-N 388.475 3.836 0 40 GHAB Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C(=O)NCC(C)C 408582534 CYWAOTHDHAKZKX-UHFFFAOYSA-N 394.924 3.513 0 40 GHAB C[C@@]1(c2ccc(Cl)cc2)CC(=O)N(Cc2cccnc2C(F)(F)F)C1=O 530168746 BMABXAUAOOHBDD-KRWDZBQOSA-N 382.769 3.971 0 40 GHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575612240 KAEZTVNFDRWULK-CQSZACIVSA-N 385.773 3.832 0 40 GHAB CCOc1cncc(CNc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 621360029 CKJPTWDMDQQZQA-UHFFFAOYSA-N 395.912 3.530 0 40 GHAB CC(C)c1cc(N2CC(Cc3ccccc3Br)C2)n2ncnc2n1 624713978 WJIJIVMEHNDVSA-UHFFFAOYSA-N 386.297 3.689 0 40 GHAB Cn1c(-c2ccc(Oc3cccnc3)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1262901784 KUCGBDHWZZIQFP-JOCHJYFZSA-N 391.475 3.676 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)c1cncc(Br)c1 1775967645 ZJEWVSMMIZYJRK-LBPRGKRZSA-N 393.262 3.629 0 40 GHAB COc1ccc(C(=O)N2CC(n3c(C(C)C)nc4ccccc43)C2)cc1OC 1888947716 CDBZIVCPSIPONL-UHFFFAOYSA-N 379.460 3.874 0 40 GHAB COc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1 631118 DNAJFDBWXWTURG-HNNXBMFYSA-N 388.489 3.511 0 40 GHAB CCOC(=O)c1c(NC(=O)CSc2ccccn2)sc2c1CCCC2 781506 BZFNZUJXAGTLCG-UHFFFAOYSA-N 376.503 3.929 0 40 GHAB CC(C)(C)OC(=O)c1c(N)n(-c2cccc(O)c2)c2nc3ccccc3nc12 1287954 ZPGNSWJGVKRGOV-UHFFFAOYSA-N 376.416 3.817 0 40 GHAB Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 1475592 YUSDCUSKQJKIKO-MDZDMXLPSA-N 399.512 3.736 0 40 GHAB O=c1/c(=C\c2cccc(Oc3ccccc3)c2)sc2nc(-c3ccncc3)nn12 1481391 RYXWNJSXAYJIOU-XMHGGMMESA-N 398.447 3.553 0 40 GHAB Cc1ccc(S(=O)(=O)C[C@@]2(Br)CCc3ccccc3C2=O)cc1 2028286 HLFWFYVMWBSMLM-SFHVURJKSA-N 393.302 3.732 0 40 GHAB Clc1ccc(OCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1 2361126 CAVMIVFSTKXRPO-UHFFFAOYSA-N 376.807 3.696 0 40 GHAB CCOc1cc(/C=C/C(=O)NC2=NCCS2)ccc1OCc1ccccc1 2618749 LIKIJJAEZRXCEF-PKNBQFBNSA-N 382.485 3.897 0 40 GHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)cc1 2657166 MJJJUFBKUDSJPT-UHFFFAOYSA-N 387.486 3.529 0 40 GHAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1)c1ccccc1 2910658 AKRGZHZGRPGQDL-QHCPKHFHSA-N 397.478 3.825 0 40 GHAB Cc1cccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c1 3216723 IGRDVFMLHLEQJS-UHFFFAOYSA-N 377.421 3.625 0 40 GHAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)c1C 3362915 WWCCOOIACUJETD-UHFFFAOYSA-N 391.471 3.967 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 3408833 ULPOQOWYXNGSOJ-UHFFFAOYSA-N 388.870 3.690 0 40 GHAB CC(C)CCOc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 3485891 GAWHVAWSPIWSNX-UHFFFAOYSA-N 385.416 3.636 0 40 GHAB CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O 3499991 CQQFBQJHIMOSCZ-UHFFFAOYSA-N 399.830 3.913 0 40 GHAB COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 4325369 YKGGGYUVBCQVPI-UHFFFAOYSA-N 375.472 3.853 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 4585444 AFUNGDKUHFAUDR-UHFFFAOYSA-N 399.406 3.675 0 40 GHAB COc1ccccc1[C@H]1N=C(Nc2cccc(C)c2C)Nc2nc(C)cc(=O)n21 4736978 HVXQZJPMWNLOMY-FQEVSTJZSA-N 389.459 3.618 0 40 GHAB CC(C)Cc1ccc([C@H](C)NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 4932257 DTMBMGSQNDMAJS-LBPRGKRZSA-N 382.291 3.626 0 40 GHAB CC[C@@H](C)Sc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)s1 4975606 MGCVWGOAMMZYIM-OLZOCXBDSA-N 390.534 3.729 0 40 GHAB Fc1cccc(-c2cc3nc4c(c(N[C@@H]5CN6CCC5CC6)n3n2)CCCC4)c1 4980758 LXPSYXAUJILCMQ-OAQYLSRUSA-N 391.494 3.920 0 40 GHAB C[C@@H]1Oc2ccccc2C=C1/C=c1\sc2nc(/C=C/c3ccccc3)nn2c1=O 5163175 RBAQVQAWEZFIHZ-LTIZMSHGSA-N 399.475 3.685 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2ccc(Br)cc2F)nc1C 5185917 WJSGABZANNRWFX-UHFFFAOYSA-N 387.230 3.782 0 40 GHAB CC(=O)c1ccc(NC(=O)CCCCCn2cnc3ccccc3c2=O)cc1 5203814 GEWYLBGKFDESKI-UHFFFAOYSA-N 377.444 3.798 0 40 GHAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCc3cccnc3)ccc12 5244397 XIIBIDXUXAYHSM-UHFFFAOYSA-N 380.444 3.534 0 40 GHAB CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(C)cc(C)c3)n2)cc1 5396150 TUCMAPQWVVUIBR-UHFFFAOYSA-N 377.444 3.565 0 40 GHAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)c2ccc(Cl)cc2)CC1=O 5786465 DPJLSKQNHUMTBX-MRXNPFEDSA-N 385.847 3.681 0 40 GHAB CN(C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C1CCCCC1 6169280 PKQQEYDXOYWOPB-UHFFFAOYSA-N 386.517 3.570 0 40 GHAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1 6241838 DFYVBTGQHWFDDQ-UHFFFAOYSA-N 382.641 3.827 0 40 GHAB O=S(=O)(c1ccccc1)N(CCOc1ccc(F)cc1)c1nccs1 7006681 SFBWNYNDBWGRHT-UHFFFAOYSA-N 378.450 3.557 0 40 GHAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)NC12CC3CC(CC(C3)C1)C2 7562734 HPHNWGVFUNWUDX-UHFFFAOYSA-N 397.393 3.827 0 40 GHAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(OCc2cscn2)cc1 8131471 LTBKESSPXWAHEX-UHFFFAOYSA-N 395.484 3.811 0 40 GHAB C[C@H]1C[C@@H](Sc2nnc(COc3ccccc3F)n2-c2ccccc2)C(=O)O1 8194469 ASNHJVVZYMJKFC-SUMWQHHRSA-N 399.447 3.782 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)o1 8571627 XNKPXKQRXZWPRB-DZGCQCFKSA-N 375.494 3.744 0 40 GHAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)N(c2ccccc2Cl)C(=O)N=C1O 9015976 ARKBBELJGYVKFG-FQEVSTJZSA-N 383.835 3.750 0 40 GHAB O=C(CSCc1ccccc1)NC[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1 9100514 SEWQDPDCNGUXDW-QGZVFWFLSA-N 390.892 3.715 0 40 GHAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)/C=C/c1ccc2c(c1)OCO2 9125407 DHRFJJMCBSEIEG-SYJIQKIWSA-N 381.428 3.507 0 40 GHAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2csnn2)cc1 9250855 JBPCISAKFKXXJM-UHFFFAOYSA-N 394.412 3.798 0 40 GHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(N(C)C)cc1 9646370 NFODIISGDCKMQC-UHFFFAOYSA-N 390.486 3.555 0 40 GHAB CCc1onc(C)c1C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 12254307 QQVXIYOQKSAXEG-KRWDZBQOSA-N 391.475 3.841 0 40 GHAB O=C(Nc1nc2ccccc2s1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 12360449 ASSOBBQNGLVKKP-LWYUSKRHSA-N 379.489 3.822 0 40 GHAB CCc1cccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(C)c43)c2=O)c1 12414951 IAFIFIXTVVAZGB-UHFFFAOYSA-N 392.484 3.824 0 40 GHAB Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(C)c(F)c3)CC2)nc(C(C)C)n1 12778156 UKPFXDUEJQCRHB-QGZVFWFLSA-N 399.514 3.505 0 40 GHAB C[C@]1(c2ccc(Br)cc2)NC(=O)N(Cc2cccc(F)c2)C1=O 12813421 DNQKYKNJIBHQRQ-QGZVFWFLSA-N 377.213 3.555 0 40 GHAB CN1CCN(C(=O)CSc2nc3ccccc3s2)[C@@H](c2ccccc2)C1 12912231 AAXPGTPPHDSXLB-QGZVFWFLSA-N 383.542 3.904 0 40 GHAB C[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)c1cccc(Cl)c1 12943457 UKMWNSGBSWBPHP-BZNIZROVSA-N 389.860 3.958 0 40 GHAB C1=NN2C(=NC3=C([C@H](c4ccccc4)Oc4ccccc43)[C@@H]2c2cccnc2)N1 13213607 RBLHCPMTICONNZ-VXKWHMMOSA-N 379.423 3.886 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 13711921 UHDRIVDYGZLKDC-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB O=C(CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1)NCc1ccccc1 13778930 MIALHLQCIHKELS-QPTUXGOLSA-N 396.506 3.810 0 40 GHAB COc1ccc(-c2cc3ncnc(NCC(C)(C)N4CCOCC4)c3s2)cc1 15114837 GQFNDKJYTHEKHE-UHFFFAOYSA-N 398.532 3.890 0 40 GHAB C[C@@H]1Oc2ccccc2N(CCC(=O)OCc2ccc(F)cc2Cl)C1=O 16192285 LJLUMYIWTNZQMS-LBPRGKRZSA-N 377.799 3.727 0 40 GHAB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCC(C)C 16411651 FHCVCKCPTJCHIH-DEDYPNTBSA-N 378.472 3.996 0 40 GHAB CCN(Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@H]1COc2ccccc2O1 16628184 SCQJIKNZDDEJTH-IBGZPJMESA-N 391.467 3.944 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1 17167079 PZVUZDZSERECKH-IRXDYDNUSA-N 375.472 3.563 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)on1 19122354 DNGFHITWGRXVFD-SFHVURJKSA-N 380.423 3.794 0 40 GHAB Cc1cccc(-c2ccccc2C[C@@]2(C(N)=O)CCN(C(=O)CC(C)C)C2)c1 19235464 FRXGTMHZSYJSGJ-DEOSSOPVSA-N 378.516 3.955 0 40 GHAB O=C(Nc1ccc([C@@H](O)CN2CCCCC2)cc1)c1cn2cc(Cl)ccc2n1 19716736 KDELAMYNYQCEQB-IBGZPJMESA-N 398.894 3.759 0 40 GHAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCCN3CC(C)C)nc2C)c1 19764360 KAKRSQAUWLVYAU-NRFANRHFSA-N 396.535 3.907 0 40 GHAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1Cl 19930557 VTRFHKUXVPYOOZ-UHFFFAOYSA-N 392.908 3.660 0 40 GHAB COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 20037304 ZFTZXAGLTFHGGN-IBGZPJMESA-N 390.505 3.584 0 40 GHAB Cc1ccccc1[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 20043460 FDMXUNOFTYCVAX-NRFANRHFSA-N 394.496 3.886 0 40 GHAB CC1(C)Cc2c(sc3ncn4nc(-c5ccccc5N)nc4c23)C(C)(C)N1 20566860 UWTRMZBDZLMIPQ-UHFFFAOYSA-N 378.505 3.748 0 40 GHAB Cc1ccc(-c2c3c(nc4nc(N5CCCCC5)[nH]c(=O)c24)CCCC3=O)cc1 20673689 KRGSELZOBDYPKO-UHFFFAOYSA-N 388.471 3.803 0 40 GHAB O=c1cc(-c2ccccc2)c2ccc(OC[C@@H](O)CNc3ccccn3)cc2o1 20735670 ANLZPYNLRRMWJL-KRWDZBQOSA-N 388.423 3.707 0 40 GHAB biogenic O=C(NCc1ccccc1CN1CCOCC1)c1cc(F)c(Cl)cc1Cl 21935199 LVSYCMLYFNWTBN-UHFFFAOYSA-N 397.277 3.895 0 40 GHAB Cc1ccc(Cn2nc(C)c3cc(C(=O)OCc4nc(C)no4)sc32)cc1 29136040 JKRXSUHQCGAJPW-UHFFFAOYSA-N 382.445 3.811 0 40 GHAB CS(=O)(=O)Nc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1 30041430 MDWMMBZGGBJVLJ-UHFFFAOYSA-N 391.836 3.619 0 40 GHAB CCc1ccc2c(CN[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc2c1 32797390 IBPWGRTUFOFTRE-AWEZNQCLSA-N 385.485 3.610 0 40 GHAB CC(C)NC(=O)Nc1ccc(CNC(=O)c2cccc(Br)c2)cc1 36392569 VKOBNFXGVYHSNM-UHFFFAOYSA-N 390.281 3.909 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38946526 VQAXVWBLGWTUNC-ANMDKAQQSA-N 394.902 3.828 0 40 GHAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 39772499 XZWITPCGTRZEAJ-UHFFFAOYSA-N 386.879 3.977 0 40 GHAB O=C(NCCCSc1ccc(F)cc1)N1CCC(N2CCCCC2)CC1 43140301 IIORSOVCGJMNIN-UHFFFAOYSA-N 379.545 3.968 0 40 GHAB CC(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 43187335 VBBUCEBSISSUHY-AWEZNQCLSA-N 382.346 3.930 0 40 GHAB CCOc1ccccc1C(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43983308 OQZMRYHINVQJTR-UHFFFAOYSA-N 382.460 3.726 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)[C@@H](C)NC(=O)c3ccccc3)ccc2s1 46476175 UPDHWHIHAGVIQW-CYBMUJFWSA-N 396.468 3.835 0 40 GHAB O=C(Nc1nc(C2CC2)cs1)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 49658039 USGUNUCSIWALHI-HNNXBMFYSA-N 387.480 3.579 0 40 GHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccnc(NC2CC2)c1 58224488 GIYFLMGGIZCWTH-UHFFFAOYSA-N 393.274 3.673 0 40 GHAB COc1ccc(-c2csc3ncnc(N[C@H]4CC(=O)N(C(C)C)C4)c23)cc1 58232509 YNHZROIVQOMORR-AWEZNQCLSA-N 382.489 3.788 0 40 GHAB CCO[C@H](C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)c1ccccc1 58357909 ONZNEYRETNSYJS-QHCPKHFHSA-N 394.515 3.504 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1C(F)(F)F 60321191 DULHGYLAMVVHBB-GOSISDBHSA-N 398.450 3.691 0 40 GHAB C[C@@H]1CN(C(=O)c2ccccc2N(C)C(=O)C2CC2)C[C@@H](c2ccccc2)O1 62517158 HSJZBGUFQZPCQL-IERDGZPVSA-N 378.472 3.662 0 40 GHAB C[C@@H]1CN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC(C)(C)O1 68538836 BKNAESIHHJVIIG-MRXNPFEDSA-N 379.460 3.553 0 40 GHAB Cc1ccc(N2CCC(CNC(=O)c3ccc(Cl)c(Cl)c3)CC2)nn1 70929878 YDCKQDBCZCOBMS-UHFFFAOYSA-N 379.291 3.738 0 40 GHAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nncs2)C12CCCC2 71280565 YVQQKAOEEFOVIM-CJNGLKHVSA-N 384.505 3.828 0 40 GHAB O[C@]1(c2cccnc2)CCC[C@H]2CN(Cc3cc4c(cc3Cl)OCO4)C[C@@H]21 72342999 SSUXVZYXEZIFCA-LFRPXUGBSA-N 386.879 3.583 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 72354623 LBQXQRZOFNVYCW-GOSISDBHSA-N 380.398 3.981 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3ccc(NC(=O)OC(C)(C)C)cc3C)nc2n1 79104906 LBSLJRRLLMIAOE-UHFFFAOYSA-N 396.451 3.649 0 40 GHAB COc1ccc(-c2n[nH]cc2[C@@H]2SCC(O)=Nc3c2c(O)nn3C(C)C)cc1 79474698 USLNMYJLBMKUAS-KRWDZBQOSA-N 399.476 3.993 0 40 GHAB Cc1cc(C(=O)Nc2ccc(-c3noc(O)n3)cc2)c(C)n1Cc1ccco1 95393791 LJEZBZFKDWQFQV-UHFFFAOYSA-N 378.388 3.754 0 40 GHAB Cc1nc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)ccc1[C@H](C)O 95462056 KHTXFKIKMXUODI-INIZCTEOSA-N 388.533 3.970 0 40 GHAB Cc1cccc([C@H](CN[C@H](C)CCc2n[nH]c3ccccc23)N2CCOCC2)c1 96008168 TUAZMMGYCQYWLV-DVECYGJZSA-N 392.547 3.856 0 40 GHAB O=C(C[C@@H]1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21)NC1CCC1 96242167 IJAHLSLWVRRUET-GOSISDBHSA-N 395.547 3.782 0 40 GHAB CC(C)C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccncc2)CC1 100738935 UYDNEFKBGXJYSR-MAEOIBBWSA-N 381.524 3.651 0 40 GHAB COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 102626349 SROYVBSRTNKJEG-BJZITVGISA-N 393.439 3.840 0 40 GHAB CCc1ccc(Cl)c(CC)c1NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102920390 CPMXZLRHGOTGOQ-GJZGRUSLSA-N 376.884 3.579 0 40 GHAB CCc1nc(CNC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cs1 107614824 ADWWYNIVJZYVFG-UHFFFAOYSA-N 377.554 3.577 0 40 GHAB CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 206659491 FFTVJOGKRKNTLB-IDPBPBMLSA-N 386.451 3.813 0 40 GHAB CCOC(=O)COc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 211509812 RRRCSDNGYNCZGL-BOPFTXTBSA-N 399.424 3.988 0 40 GHAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(N3CCCC3=O)cc2)c1 219202548 MUBIIXYIRCUTJD-UHFFFAOYSA-N 380.488 3.963 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 222386576 YCZGUYOZMRUUBP-GOSISDBHSA-N 382.504 3.661 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 222448945 IBJNLPSYDBOTEA-JOCHJYFZSA-N 396.531 3.878 0 40 GHAB COc1cccc(CN(C(=O)Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)c1 223059392 AOTATWXRFNDIIG-SFHVURJKSA-N 396.531 3.878 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCCN2CCCCCC2)cc1C(C)C 223226071 JHVACQCZZVNEJX-UHFFFAOYSA-N 382.570 3.671 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 223330010 XGRANTRYADYBKW-QGZVFWFLSA-N 388.533 3.509 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1)c1ccccc1 224283464 JCUMYHFJQYKAQC-MRXNPFEDSA-N 378.519 3.797 0 40 GHAB Cc1ccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1 224628241 DRWOTGDSIOSKAO-UHFFFAOYSA-N 382.570 3.872 0 40 GHAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)c1 225594876 HKIVAFYVDVYENU-SFHVURJKSA-N 384.495 3.927 0 40 GHAB CCOc1ccc(S(=O)(=O)NCc2cccnc2-c2cccs2)cc1F 225762803 PFYCRQQJKZKBMR-UHFFFAOYSA-N 392.477 3.826 0 40 GHAB S=C(NCc1ccco1)Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1 225911481 DXJIDJIRMPOJJR-UHFFFAOYSA-N 395.488 3.949 0 40 GHAB COc1cc(C(F)(F)F)nc(NC(=S)NCc2ccc(Cl)cc2)n1 225935630 RAMXYCLWDOYTGQ-UHFFFAOYSA-N 376.791 3.644 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C[C@H]4CCOC4)C3)cc2n1 248187796 ILWKHFNFALMWTL-KGLIPLIRSA-N 382.430 3.697 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCc2ccccc2)[C@@H]1c1ccccc1OC 257234263 GSVDKTKQYVSQFR-OFNKIYASSA-N 394.515 3.696 0 40 GHAB Cc1cnc(C(=O)N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)cn1 257240708 HUTOPIURTSTMRS-UHFFFAOYSA-N 394.450 3.697 0 40 GHAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ccccc3F)CCO2)n1 257296386 RCOZDMBSVIFSSD-FQEVSTJZSA-N 395.434 3.960 0 40 GHAB COC[C@@H](C)NC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCOCC1 257301688 RZKVNQCHXKDGOH-GOSISDBHSA-N 397.515 3.853 0 40 GHAB O=C(O)CN(Cc1cccc(F)c1)C(=O)c1ccnc(Cc2cccc(F)c2)c1 257307842 TUINDGVNXXRLSS-UHFFFAOYSA-N 396.393 3.678 0 40 GHAB COc1cc2c(cc1OC)[C@H](NC(=O)c1cc3cc(OC)c(OC)cc3[nH]1)CC2 524733128 WYYBBISTRWRAHO-OAHLLOKOSA-N 396.443 3.620 0 40 GHAB O=C(NCc1nc(-c2ccncc2)n[nH]1)N1CC2(CCCC2)[C@@H]1c1ccccc1 560848936 JTFZBICDWXYRTD-IBGZPJMESA-N 388.475 3.694 0 40 GHAB Cc1nn(CCNS(=O)(=O)c2ccc(F)c(Cl)c2)c(C)c1-c1ccco1 575616075 VRGWWYIKUDOEPV-UHFFFAOYSA-N 397.859 3.531 0 40 GHAB Cc1cccc(CN2CCC3(CCN(C(=O)Cc4cccc(F)c4)CC3)C2=O)c1 585099780 ZVCQHEWIGXIJBH-UHFFFAOYSA-N 394.490 3.718 0 40 GHAB CSCC1(CCNC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)CC1 596736534 ILTJQHSTTWEEGD-MRXNPFEDSA-N 385.537 3.852 0 40 GHAB C[C@H](O)[C@@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1ccccc1F 650360119 PPQMWYZLKJHHHI-YVEFUNNKSA-N 384.373 3.808 0 40 GHAB C[C@]1(C(=O)N2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)CC=CCC1 1565543058 NZOQDLMOBFZMLN-AKIFATBCSA-N 384.520 3.742 0 40 GHAB C=CC(=O)Nc1cccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](CC)C2)c1 1567414107 MARVYKXRWKPKQR-NRFANRHFSA-N 377.488 3.548 0 40 GHAB Cc1cc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cc(C)c1O 1615122223 QJGFPNUMSARQPD-UHFFFAOYSA-N 398.478 3.546 0 40 GHAB Cc1c(Br)cccc1C(=O)N1CCC(N(C)c2ccccn2)CC1 1889151942 NNFXYJAPDQOFHC-UHFFFAOYSA-N 388.309 3.894 0 40 GHAB Cn1nccc1-c1ccc(CCNC(=O)c2ccc(OC(F)(F)F)cc2)cc1 1889298775 DZYXRPQMADXBES-UHFFFAOYSA-N 389.377 3.958 0 40 GHAB COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccccc1F 2703646 BXTWSKSAHYCRAN-IBGZPJMESA-N 381.403 3.741 0 40 GHAB COc1cc(-c2nc(C)c(C(=O)NCc3ccco3)s2)cc(OC)c1OC 12389101 RIQIWHPJIQNPCI-UHFFFAOYSA-N 388.445 3.667 0 40 GHAB C[C@H](NC(=O)Nc1ccccc1OC[C@@H]1CCCCO1)C(C)(C)CN(C)C 79062308 HBXWYUWTEBNARM-IRXDYDNUSA-N 377.529 3.732 0 40 GHAB O=C(O)CC[C@@]1(C(=O)O)NC[C@@H](c2ccccc2Cl)c2c1[nH]c1ccccc21 2661561 FWJAXMZGUCUFFB-LHSJRXKWSA-N 398.846 3.701 0 40 GHAB Cc1cc(C)c2cc(CN(CCCO)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 4127433 FRPCWNRVQBGLJS-UHFFFAOYSA-N 395.528 3.726 0 40 GHAB Cc1cc(OCC(=O)N2N=C(C(F)(F)F)C[C@@]2(O)C(C)(C)C)ccc1Cl 4163611 GTSGDRKGSNDDHY-MRXNPFEDSA-N 392.805 3.913 0 40 GHAB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 873313 IGBXDIZRORIMIB-UHFFFAOYSA-N 392.286 3.914 0 40 GHAB COc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 882827 KNMAAMHKBBEFTP-UHFFFAOYSA-N 391.456 3.555 0 40 GHAB O=C1CCc2cc(S(=O)(=O)Oc3ccc(Oc4ccccn4)cc3)ccc2N1 23043334 DMSRNIAZCMKEPU-UHFFFAOYSA-N 396.424 3.526 0 40 GHAB CCN(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 6139083 SWDRQXGOKCNPDR-UHFFFAOYSA-N 396.512 3.509 0 40 GHAB COc1ccc(Br)c(CC[C@H](CO)C2=CCC3(CC2)OCCO3)c1 6403959 KYSQACQMQSNUDP-MRXNPFEDSA-N 397.309 3.852 0 40 GHAB COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccc(Cl)nc1 7602045 AEIRZMYLFLJUKQ-UHFFFAOYSA-N 391.884 3.629 0 40 GHAB O=C(COc1ccc(C(=O)O)cc1Br)Nc1ccc(Cl)cc1 7604162 RCJLTYJMPFPSAY-UHFFFAOYSA-N 384.613 3.818 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C)c(Br)cc1Br 54362961 XGQQPCUUVGETDD-UHFFFAOYSA-N 385.121 3.551 0 40 GHAB C[C@](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)(C(=O)O)c1ccccc1 23625670 IZUXDNXRNZHRAX-JOCHJYFZSA-N 392.411 3.903 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)CNc2ccc(OC(F)(F)F)cc2)c1 23901204 QHUKNVDBSFSOPV-UHFFFAOYSA-N 382.338 3.731 0 40 GHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)[C@@H]3CC3(Cl)Cl)n2)cc1 24596368 KSTSUNDMJSKJPW-ZDUSSCGKSA-N 398.315 3.621 0 40 GHAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 12604800 SSUDFJTXWQJVGE-UHFFFAOYSA-N 393.770 3.946 0 40 GHAB CC[C@@H](Oc1ccccc1)C(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 12795682 FTKQOLVINFRPOY-QGZVFWFLSA-N 398.484 3.536 0 40 GHAB CCCCn1nc(C(=O)Nc2ccc3oc(C)nc3c2)c2ccccc2c1=O 10026055 MOWIHWXOMAMROB-UHFFFAOYSA-N 376.416 3.899 0 40 GHAB CCC(CC)[C@@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)N1CCOCC1 12773004 NACMSGTXVADOOT-QGZVFWFLSA-N 391.314 3.999 0 40 GHAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O 44840188 QNJZQMRTWDRUMF-AWEZNQCLSA-N 399.878 3.735 0 40 GHAB COc1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1C(=O)O 12775486 KIKUWAQYTHVZKC-CYBMUJFWSA-N 392.455 3.930 0 40 GHAB CCCCOc1cccc(CN2C(=O)[C@H](NC(C)=O)c3cc(C)ccc32)c1OC 12759310 ZWXFKOVLDHNMRX-OAQYLSRUSA-N 396.487 3.907 0 40 GHAB CN(C(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1)[C@@H]1CCc2ccccc21 58415766 MFZGCEMONZEXFT-HXUWFJFHSA-N 392.503 3.927 0 40 GHAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)OCO3)CC1=O 3341804 IKHXPJYQEPZGIV-LSDHHAIUSA-N 380.444 3.920 0 40 GHAB CCCOc1ccc(C(=O)NC[C@H](c2ccccc2OC)N(C)C)cc1OC 3356203 OFNODLWJMQDREX-GOSISDBHSA-N 386.492 3.525 0 40 GHAB COCCCN1C(=O)c2ccc(C(=O)Oc3cccc4ccccc34)cc2C1=O 2353356 KXELORZVIDJRHM-UHFFFAOYSA-N 389.407 3.692 0 40 GHAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCOc2ccccc21 28666127 HEVAPGCLEPJBDH-GUYCJALGSA-N 388.876 3.783 0 40 GHAB NC(=O)Cc1csc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 12845914 LKQYWVGRLPNHHP-UHFFFAOYSA-N 396.255 3.990 0 40 GHAB Nn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1 2415420 KEQYRGXVAMAWJA-UHFFFAOYSA-N 375.457 3.543 0 40 GHAB CN(CCCC(=O)Nc1ccc(F)cc1Cl)S(=O)(=O)c1cccs1 11376372 MTCWIWQLJHAZSM-UHFFFAOYSA-N 390.889 3.580 0 40 GHAB O=C(NCc1ccc(N2CCOCC2)nc1)c1sc2ccccc2c1Cl 28929138 RITJEFISJHCNKP-UHFFFAOYSA-N 387.892 3.716 0 40 GHAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccc(OC[C@H]2CCCO2)cc1 29293071 BORPBKWAMVAZEZ-OAQYLSRUSA-N 394.471 3.619 0 40 GHAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2nccs2)CC1 29656992 DRJFNWLGXQWOGO-UHFFFAOYSA-N 377.469 3.730 0 40 GHAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1Cl 3514265 IIMFFAOFIKTUHU-SNVBAGLBSA-N 388.782 3.505 0 40 GHAB O=C(O)/C=C/c1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 12993158 SKRAXJSDBBRRMM-JXMROGBWSA-N 381.819 3.935 0 40 GHAB COc1ccc(-c2nc(Cn3nc(-c4ccc(F)cc4)oc3=O)cs2)cc1 12924431 ZQMVNCOODJRQMJ-UHFFFAOYSA-N 383.404 3.823 0 40 GHAB COc1ccc(CN(Cc2ccco2)C(=O)c2n[nH]c3c2CCCC3)cc1OC 8996317 MCISKNWRFWGGLK-UHFFFAOYSA-N 395.459 3.741 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 8990621 BIOLJFJNGAYMDZ-GOSISDBHSA-N 389.455 3.861 0 40 GHAB COC(=O)[C@H](C)Sc1nnc(COc2ccccc2F)n1-c1ccccc1 6128984 JDWLSUYDHUARDZ-ZDUSSCGKSA-N 387.436 3.639 0 40 GHAB O=C(OCc1nc2ccsc2c(=O)[nH]1)C1c2ccccc2Oc2ccccc21 5171720 WDLGVGSNLVMJQZ-UHFFFAOYSA-N 390.420 3.966 0 40 GHAB C[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)c1c[nH]c2ccccc12 5289132 XRLSDFCTSPOYAT-KPZWWZAWSA-N 394.452 3.785 0 40 GHAB COc1cc(C(=O)NC2CCSCC2)ccc1OCc1c(C)noc1C 65513437 LMBAPAKKZHFFLK-UHFFFAOYSA-N 376.478 3.504 0 40 GHAB COc1ccc(OC)c(NC(=O)CCCCCn2cnc3ccccc3c2=O)c1 5307161 RGWBYRFXQMRTKG-UHFFFAOYSA-N 395.459 3.613 0 40 GHAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3nc4ccc(C)cc4s3)n2)c1 9206092 IOSCFERAFHXHBW-UHFFFAOYSA-N 376.441 3.711 0 40 GHAB Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c(C)c1 14426426 SNTAKPSVVPROKP-UHFFFAOYSA-N 386.517 3.957 0 40 GHAB CCCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1N1CCOCC1 4711590 XYOGGVKGZQEKKQ-UHFFFAOYSA-N 382.460 3.651 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N(C)C)n2[C@H]2CCCC[C@H]2C)cc1 5861680 YCOAYQJTRVWECU-PBHICJAKSA-N 388.537 3.885 0 40 GHAB Cc1ccc(S(=O)(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1C 15358904 WTGQIGSUXMZYLL-UHFFFAOYSA-N 383.517 3.644 0 40 GHAB COc1cccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccncc3)no2)c1 67350660 SLSWLZZMNFMSTN-KRWDZBQOSA-N 379.420 3.899 0 40 GHAB Cc1noc(C)c1CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1 67762849 DJAISQDVFLCWKE-UHFFFAOYSA-N 382.382 3.675 0 40 GHAB O=C(Nc1ccccc1)N1CC[C@@H]2CCN(C(=O)NCc3ccccc3)[C@@H]2CC1 306133373 MJTMLAOYCPTTRM-TZIWHRDSSA-N 392.503 3.915 0 40 GHAB CCc1oc2ccccc2c1/C=C/C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 16059386 UWTHYLFKVDVCEW-OUKQBFOZSA-N 387.439 3.904 0 40 GHAB CCCCOC(=O)c1ccc2[nH]/c(=N\C(=S)NC(=O)CC(C)C)sc2c1 20411586 GFHYKEMBYQNAPV-UHFFFAOYSA-N 393.534 3.534 0 40 GHAB CCCCN(CC)c1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(N)n1 71771646 JPQPGGHRBPLBIE-UHFFFAOYSA-N 376.526 3.641 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 8394413 GXQSNWZKWNAMMM-UHFFFAOYSA-N 388.471 3.563 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(OC(F)F)c(OC)c1 8311924 OFFPQJPNWYFALU-UHFFFAOYSA-N 378.375 3.689 0 40 GHAB Cc1c(N2C(=O)CS[C@H]2c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C 17198108 HICQZTPNPRUKSF-FQEVSTJZSA-N 399.903 3.916 0 40 GHAB CC[C@H](C)NC(=O)CSc1nc2cc(C)n(CC)c2c(=O)n1[C@@H](C)CC 67299785 OBBNFSDMXJSXFG-STQMWFEESA-N 378.542 3.504 0 40 GHAB COC(=O)c1cc(CNC(=O)N[C@H](c2ccc(F)cc2)C(C)C)ccc1OC 9958787 BRYIXDQZHDYEQI-IBGZPJMESA-N 388.439 3.817 0 40 GHAB O=C(NCc1ccc[nH]1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 89767991 MIGWCBZLMJSBHS-UHFFFAOYSA-N 375.259 3.926 0 40 GHAB O=C(Nc1ccccc1NCC(=O)N1CCc2sccc2C1)c1ccccc1 29645839 BQJQKHZJXHTKET-UHFFFAOYSA-N 391.496 3.997 0 40 GHAB CC(C)NC(=O)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409130696 UFELSEVERWBKGO-UHFFFAOYSA-N 380.429 3.627 0 40 GHAB CC1(C)[C@H]2CC=C(CN3CC[C@@]4(COCc5cnc(NC6CC6)nc54)C3)[C@@H]1C2 306142590 XDXZTBOPFRAGOW-LTMIRXACSA-N 380.536 3.517 0 40 GHAB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1)C(=O)c1ccccc1 408658107 UVRUZKKIERGUDG-AZUAARDMSA-N 379.456 3.861 0 40 GHAB COC(=O)[C@H](Oc1nc(C)cc(C)n1)C(OC)(c1ccccc1)c1ccccc1 39141711 RCOLWOXJIUGEGI-FQEVSTJZSA-N 392.455 3.604 0 40 GHAB in-vitro CN1C(=O)S/C(=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O 408762991 DCKCSRPYEBJVHY-WQRHYEAKSA-N 391.452 3.946 0 40 GHAB CCCN1CCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c2cc(F)ccc21 530454433 ARKFVYXDEWSGQU-MRXNPFEDSA-N 385.414 3.654 0 40 GHAB O=C(Cc1csc(-n2cccc2)n1)NCCn1ccc2ccc(Cl)cc21 71279167 GXYDFOREZXKBTB-UHFFFAOYSA-N 384.892 3.901 0 40 GHAB C[C@H]1CN(CCNC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)C[C@H](C)O1 32903663 YXLWCBXPBUWEQS-VFQZCJPISA-N 390.833 3.597 0 40 GHAB O=C(C[C@@H]1CCCC(=O)N1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 558021918 GURYVHQCTUPJDB-ZDUSSCGKSA-N 397.422 3.750 0 40 GHAB C=CCOc1ccccc1/C=C1/SC(=S)N([C@@H](C(=O)O)C(C)C)C1=O 35648511 YZBNKGPXIADMPZ-YVGNARHYSA-N 377.487 3.562 0 40 GHAB O=C(O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1NC1CCCCC1 217579109 XLQHWOMTZTUIGC-UHFFFAOYSA-N 380.510 3.740 0 40 GHAB COCCn1cc(C(=O)Nc2nc3ccccc3s2)c2ccccc2c1=O 71288029 SCWQAOIUBNRVNB-UHFFFAOYSA-N 379.441 3.510 0 40 GHAB O=C(c1cscn1)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 72362637 WDVSVAWSVSNPCO-CYBMUJFWSA-N 384.436 3.884 0 40 GHAB CCOC(=O)c1c(C)oc2ccc(OCC(=O)Nc3ccccc3OC)cc12 32810291 YFFJHBRZCZPJMD-UHFFFAOYSA-N 383.400 3.944 0 40 GHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 43851237 PQAMYCUXYHVCKS-SNVBAGLBSA-N 377.347 3.849 0 40 GHAB O=C(/C=C/Nc1ccc(I)cc1)c1ccc2c(c1)OCO2 44842662 LHQGKWACMAWLEL-BQYQJAHWSA-N 393.180 3.828 0 40 GHAB COc1cc(OC)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225982005 UXDDRMOCCFZRQA-UHFFFAOYSA-N 386.521 3.682 0 40 GHAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 222905499 LKBCARSPIGGPER-PMACEKPBSA-N 377.517 3.896 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 224652095 DBDUKYMCPGFSJP-NRFANRHFSA-N 395.480 3.850 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 222457732 ZFDUZPCDKCUYHE-NRFANRHFSA-N 382.504 3.706 0 40 GHAB O=C(Nc1nc2c(s1)CN(C(=O)c1ccccc1F)CC2)NC1CCCC1 77196382 BHWNHYCZGTWBFT-UHFFFAOYSA-N 388.468 3.545 0 40 GHAB C[C@H](COc1ccccc1)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 224466894 JOTLPJSFOSMXOU-VKZJTJHYSA-N 390.439 3.634 0 40 GHAB Cc1ccccc1OCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C 224075466 YLTYZZCQRHLZSX-IBGZPJMESA-N 382.504 3.563 0 40 GHAB CC(=O)c1cn(CCC(=O)NCC2(CC(=O)O)CCCCC2)c2ccccc12 40286537 SAHIHPVDZGXQSA-UHFFFAOYSA-N 384.476 3.775 0 40 GHAB COc1cc(OC)c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222562922 CWWOLTCZDYNEBW-GESALYCCSA-N 385.489 3.697 0 40 GHAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)Nc1ccc2ccccc2c1 224142211 DNVSITXBXFQETN-UHFFFAOYSA-N 376.464 3.940 0 40 GHAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 223630027 KCMSUKMPCWEEJT-PMACEKPBSA-N 379.485 3.697 0 40 GHAB COc1ccc(OC)c(NC(=O)c2cc(C(C)C)nc(N3CCCCC3)n2)c1 96101113 CDMKSIBGCCFAPB-UHFFFAOYSA-N 384.480 3.860 0 40 GHAB Cc1cnn(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)c1 257201343 AHGYCSZBJNECCX-QGZVFWFLSA-N 398.894 3.830 0 40 GHAB O=C(c1ccc(O)nc1)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257267226 MGLPCDXPZPOXPE-INIZCTEOSA-N 381.407 3.525 0 40 GHAB CC(C)CS(=O)(=O)C1CCN(C(=O)CCc2cccc3ccccc23)CC1 96374457 KVOUUTCWCOCGNG-UHFFFAOYSA-N 387.545 3.834 0 40 GHAB Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4CCCC[C@H]4N)CC3)n2)s1 585263604 TUDTYKMHPBXBHN-DLBZAZTESA-N 399.564 3.814 0 40 GHAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@@H]1C[C@@H]1c1ccccc1Br 84502224 FVJMHVACXJXKDS-NUEKZKHPSA-N 390.281 3.567 0 40 GHAB Cc1ccccc1SCC(=O)Nc1ncccc1I 40158044 KHZIRYRFISHESZ-UHFFFAOYSA-N 384.242 3.725 0 40 GHAB O=C(COC(=O)/C=C/c1ccc(Br)o1)NCc1ccc(Cl)cc1 3230103 FMHDPRWRPOWGFK-SOFGYWHQSA-N 398.640 3.568 0 40 GHAB CCn1c(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)nc2ccccc21 12087602 OLPNPOYLKPOJJL-INIZCTEOSA-N 376.460 3.801 0 40 GHAB CC(C)(C)c1ncc(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)cn1 12290810 POVQESNIXJXXMV-UHFFFAOYSA-N 380.423 3.767 0 40 GHAB O=C(NC[C@H]1CCCO1)c1cccnc1Sc1ccc(Br)cc1 12938616 RLLZQEUIOJOVAB-CYBMUJFWSA-N 393.306 3.904 0 40 GHAB Cc1cccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccccc2)c1 15398132 ZUGSOZRSCRHSTB-UHFFFAOYSA-N 394.496 3.507 0 40 GHAB Cc1cccc(-c2ccc(C[C@H]3CN(C(=O)C4CCC4)CCNC3=O)cc2)c1 19235393 AHQVSJNLGVSVMW-QFIPXVFZSA-N 376.500 3.579 0 40 GHAB CC(C)Oc1cc(CCC(=O)N2CCC[C@H](c3cc4cccnc4[nH]3)C2)on1 19450515 CNYZRFWCGGDYTE-INIZCTEOSA-N 382.464 3.677 0 40 GHAB CCc1nn(C)c(C(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2C)c1C 19521024 CKVGGFHWNFXKEO-IBGZPJMESA-N 392.507 3.752 0 40 GHAB CCn1ncc(-c2csc(NC(=O)[C@H]3CCCN(c4ccccn4)C3)n2)c1C 19524069 ZEMZTUKFMBJOKC-HNNXBMFYSA-N 396.520 3.585 0 40 GHAB Cn1c(=O)c(C(=O)Nc2ccc(CN3CCCCCC3)cc2)nc2ccccc21 19666403 OCAYHPIODBOPEH-UHFFFAOYSA-N 390.487 3.562 0 40 GHAB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2C)o1 19928429 CBZYGMPVLSQSDL-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB O=C(CSCc1ccccc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206786054 IRJMOBDVZYKXLY-MRXNPFEDSA-N 395.450 3.729 0 40 GHAB Cc1cc2oc(C(=O)N[C@H](c3ccccc3)c3ccnn3C)cc(=O)c2cc1C 12194196 IPBQAPRROOOLCU-JOCHJYFZSA-N 387.439 3.663 0 40 GHAB CN1CCN(Cc2ccccc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19589501 OAVMFYKLNCRVGZ-XMMPIXPASA-N 385.511 3.882 0 40 GHAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4)OCC[C@@]31C2 257257794 KRDIBDJWPCSTCC-XSGQZRFPSA-N 375.484 3.861 0 40 GHAB COc1ccc(CN(C)C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1 11698308 AMTAUQUBFUXKJR-QGZVFWFLSA-N 390.892 3.810 0 40 GHAB CC(C)Cc1ccc([C@@H](NC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 9795487 GSKDAZACQSBSSJ-NRFANRHFSA-N 395.551 3.904 0 40 GHAB Cc1ccc(Cl)c(OCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c1 3433086 IYHLSORQZRNEFB-GOSISDBHSA-N 387.863 3.764 0 40 GHAB CC(C)(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 5571432 BDWODEWQCIUAHT-ZDUSSCGKSA-N 394.924 3.936 0 40 GHAB Cc1cc(OCC(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)ccc1Cl 5897273 VRLQATVFRLOYDI-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB CCOc1ccc(N(C(=O)c2cc(C)cc(C)c2)[C@H]2C=CS(=O)(=O)C2)cc1 5070922 LMQYXVRUPDKMPC-IBGZPJMESA-N 385.485 3.660 0 40 GHAB CCOc1ccc(CC(=O)N(c2cc(C)cc(C)c2)[C@H]2C=CS(=O)(=O)C2)cc1 5082419 QURJSPVIIWXKQI-IBGZPJMESA-N 399.512 3.589 0 40 GHAB C/C=C/C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 5107116 DPNVFYDXXKQOTK-GORDUTHDSA-N 378.384 3.971 0 40 GHAB O=C(Nc1nccs1)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 5270301 SUSHAWASFFOVHL-UHFFFAOYSA-N 379.363 3.624 0 40 GHAB O=C(NC[C@H]1CCCO1)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1 9239986 LHJKGWZJGQSYDR-GFCCVEGCSA-N 387.383 3.694 0 40 GHAB Cc1cccc(-n2nc3c(c2NC(=O)CCc2ccccc2)C[S@@](=O)C3)c1C 9413298 RNMPWUVDEAEJPE-NDEPHWFRSA-N 393.512 3.823 0 40 GHAB O=C(C[C@@H]1CSc2nccc(=O)n21)Nc1ccc(Oc2ccccc2)cc1 12236238 XPVXDJLLSCVGRJ-OAHLLOKOSA-N 379.441 3.711 0 40 GHAB Cc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)c1 15391290 RCJZOSITKRUIEA-MRXNPFEDSA-N 378.519 3.629 0 40 GHAB O=C(NCc1cccc2ccccc12)NC[C@H](c1ccsc1)N1CCOCC1 22679340 PTKXJUBGIDCIGI-OAQYLSRUSA-N 395.528 3.774 0 40 GHAB CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=S)NC2CCCCC2)CC1 22785106 FHZWVYZVDJZMJA-LPHOPBHVSA-N 394.654 3.612 0 40 GHAB COc1cc(NC(=O)c2cc(C)nc3c2nc2n3CCCCC2)cc(OC)c1 39553641 GSTSNTPHLKSMTN-UHFFFAOYSA-N 380.448 3.736 0 40 GHAB Cc1c(C(=O)NCc2ccnc(Oc3ccccc3)c2)[nH]c2c1C(=O)CCC2 40110644 HDUZKGCFJREIIR-UHFFFAOYSA-N 375.428 3.959 0 40 GHAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN([C@@H](C)c1ccccc1)CO3 20589890 GJPGOSXELMGYNU-HNNXBMFYSA-N 393.439 3.730 0 40 GHAB O=C(OCC(=O)N1CCCCCCC1)c1cccnc1Nc1cccc(F)c1 51744787 OJHLPBLIUBECHC-UHFFFAOYSA-N 385.439 3.914 0 40 GHAB CNc1nc(S[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)nc2ccccc12 32776152 YEEQPIQFHDCNBK-GFCCVEGCSA-N 398.488 3.808 0 40 GHAB CC(C)(C)OC(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)CC1 32873843 LIWGEAJBFCZQND-UHFFFAOYSA-N 384.476 3.959 0 40 GHAB CCOc1ccc(C(C)=O)cc1CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 32899876 OCVSVWFYDFSSMF-AWEZNQCLSA-N 375.490 3.542 0 40 GHAB O=C(Nc1ccccc1C(=O)OCc1nccn1C(F)F)c1ccsc1 32853977 QUIWSNRSNBTJES-UHFFFAOYSA-N 377.372 3.949 0 40 GHAB CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@H](C)C(=O)NC(C)(C)C 21605537 FBYOWPIOHZVKTD-CYBMUJFWSA-N 389.521 3.737 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cn3cccn3)o2)cc1OC 32923905 NUKWCGPUHQKDSI-KRWDZBQOSA-N 381.432 3.519 0 40 GHAB CCn1cc(I)c(C(=O)Nc2cccc(Cl)c2C)n1 722288 KUIZYUCIELWSMP-UHFFFAOYSA-N 389.624 3.722 0 40 GHAB CCOc1cccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1 812017 YZVLTTMYSYJYTQ-UHFFFAOYSA-N 395.503 3.642 0 40 GHAB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(F)c(Cl)c1 812765 CHGOGHQTDRMPGI-UHFFFAOYSA-N 391.855 3.768 0 40 GHAB O=C(NCc1ccco1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 975937 BISKIRQBTQCJCW-JOCHJYFZSA-N 392.480 3.984 0 40 GHAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(O)c2)c1 1278642 QEIFONOVMCHCAX-HXUWFJFHSA-N 384.391 3.952 0 40 GHAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)[C@@H]3CCCO3)c(=O)[nH]c12 1346750 JVINZKKWBJHTPB-SFHVURJKSA-N 382.485 3.606 0 40 GHAB CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)CC(=O)O 2598922 JGUYYODGVQXZAY-RTWAWAEBSA-N 397.471 3.775 0 40 GHAB O=C(COC(=O)CCc1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl 3239950 WOFUFXLOTSRNKQ-UHFFFAOYSA-N 386.757 3.868 0 40 GHAB COC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(OC)cc1 4061628 JVUADUAGLZCWJS-UHFFFAOYSA-N 394.456 3.689 0 40 GHAB O=C(Nc1cccc(Br)c1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4374158 NKLZHCHLOVAZEN-CQSZACIVSA-N 392.228 3.515 0 40 GHAB CCN1C(=O)[C@H](C(=O)N[C@@H](C)c2ccccc2)[C@H]2C[C@]1(C)Oc1ccccc12 4374383 IBJXYVQUQVHMFM-RWUSJYOISA-N 378.472 3.625 0 40 GHAB CCOC(=O)C1=NN(c2ccccc2)[C@@]2(SCC(=O)N2c2ccccc2)S1 4670926 MPFKCWIQIGLIHV-IBGZPJMESA-N 399.497 3.508 0 40 GHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(O)cc2)n2ncnc2N1 4724046 RIZZZDKXFYVJSD-KRWDZBQOSA-N 381.823 3.565 0 40 GHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)CSc1nncn1C(C)C 4768391 OCKFVMKOYWEROZ-UHFFFAOYSA-N 396.538 3.951 0 40 GHAB CCOc1cccc(C(=O)Nc2nnc(-c3ccc(OC)c(OC)c3)s2)c1 5478609 MTTJYBPTBCMRDL-UHFFFAOYSA-N 385.445 3.873 0 40 GHAB Cn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccco1 5505514 BBKNAMDXGIMFDJ-KRWDZBQOSA-N 382.489 3.921 0 40 GHAB CCOC(=O)c1c(NC(=O)CSC2=NCCS2)sc2c1CCCCC2 6047375 LCOOWTYOHXESSH-UHFFFAOYSA-N 398.575 3.968 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 6233904 XHNHTEZXFLXWHL-LLVKDONJSA-N 387.288 3.607 0 40 GHAB Cc1cc(NC(=O)COC(=O)CCc2ccccc2)ccc1Br 6375669 PFMGWZDBKQKMLG-UHFFFAOYSA-N 376.250 3.872 0 40 GHAB Cc1c(Br)c(C(F)F)nn1CC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 6526828 ZDSLWGRHMUNFNY-QXEWZRGKSA-N 378.261 3.833 0 40 GHAB Cc1cc(C)c2c(n1)sc1c(N3CCN(c4ccccn4)CC3)ncnc12 6759593 DVYIGRNXGLLFEX-UHFFFAOYSA-N 376.489 3.578 0 40 GHAB COc1ccc(-c2nnc3n(CCc4ccccc4)c(=O)c4ccccc4n23)cc1 6781248 BETMOSRNZYDFBH-UHFFFAOYSA-N 396.450 3.963 0 40 GHAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cc(=O)c2cc(Cl)ccc2o1 7107511 RJTFZKVPOQGYGG-LJQANCHMSA-N 397.814 3.623 0 40 GHAB Cc1cc(C(=O)Cn2ncc(=O)c3ccccc32)c(C)n1Cc1cccs1 7245378 MPVABFRIQNQYHK-UHFFFAOYSA-N 377.469 3.808 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(=O)n(Cc2ccccc2Cl)c1 7574179 VVNSWFKDABGXNF-UHFFFAOYSA-N 382.803 3.531 0 40 GHAB O=C(NCCCn1cnc2ccccc21)c1ccc(OCc2cscn2)cc1 8134512 YGRZQPRMTDSOSG-UHFFFAOYSA-N 392.484 3.892 0 40 GHAB COc1cccc(N2C[C@@H](C(=O)Nc3nc(-c4ccccc4)cs3)CC2=O)c1 8248095 YZNTXZGFQPMTBA-HNNXBMFYSA-N 393.468 3.810 0 40 GHAB Cc1ccc([C@H](NC(=O)c2ccccc2S(C)(=O)=O)c2ccccc2)cc1 8393913 OYWGAURDCMCNLH-OAQYLSRUSA-N 379.481 3.918 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)NC[C@@H](c1ccsc1)N1CCCC1 8900248 MATBCTFJGZGBTH-KRWDZBQOSA-N 384.954 3.658 0 40 GHAB CCc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(Cl)cc2)cc1 9227363 JUKLMAZFCKWNPR-UHFFFAOYSA-N 380.897 3.552 0 40 GHAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(O)c(OC)c1 9764309 IEQQBSPAIFMABD-IBGZPJMESA-N 379.412 3.771 0 40 GHAB CC(C)(C)SCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10315200 UFXUSKZCKKDDKY-UHFFFAOYSA-N 392.546 3.749 0 40 GHAB O=C(NCCc1ccc(Br)s1)c1ccc(-n2cccn2)cc1 10821896 BZGMRAIHYFKVPN-UHFFFAOYSA-N 376.279 3.669 0 40 GHAB C[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)c1ccc(F)c(F)c1 11069386 QWJWHQHZTADYPK-CYBMUJFWSA-N 387.382 3.515 0 40 GHAB Cc1ccc(CC(=O)N2CCC[C@@H]2Cn2nc(-c3cccs3)ccc2=O)cc1 12145212 ZGLYZQAOMLROSQ-GOSISDBHSA-N 393.512 3.514 0 40 GHAB CCOc1cc2c(cc1CN1CCC[C@](O)(c3ccc(F)cc3)CC1)OCO2 12188835 AWAUAFFULSFFHR-JOCHJYFZSA-N 387.451 3.827 0 40 GHAB Cc1ccccc1CC(=O)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 12256982 CUOQCBSYTHZZMB-LJQANCHMSA-N 388.471 3.501 0 40 GHAB CCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1OC 12647804 IZKVPBKHSXHOMA-UHFFFAOYSA-N 375.856 3.995 0 40 GHAB CC(=O)Nc1cc2ccccc2cc1C(=O)N(C)CC(=O)Nc1cccc(F)c1 12732346 BBWYHSSISXMFKL-UHFFFAOYSA-N 393.418 3.648 0 40 GHAB Cc1cccc(Cc2cnc(NC(=O)CNC(=O)c3ccccc3C)s2)c1 12777232 MYALODQNVYNJOH-UHFFFAOYSA-N 379.485 3.719 0 40 GHAB O=c1c2ccccc2nc(CSc2nc(-c3ccccc3)n[nH]2)n1C1CC1 12811861 QZLSRXYOCXJOOG-UHFFFAOYSA-N 375.457 3.809 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1 12980701 XKSLRLSTZNYWGP-LBPRGKRZSA-N 388.443 3.698 0 40 GHAB COC(=O)c1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)oc1C 12985533 JQRAAMVHKHEEPG-LHUXKHBRSA-N 399.443 3.769 0 40 GHAB Cc1cc(Br)ccc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 13955184 HEPHIHQBALKQPO-UHFFFAOYSA-N 387.233 3.663 0 40 GHAB O=S(=O)(NCCc1cccc2cccnc12)c1ccc(Br)cc1 14849063 PQDBHAMNJNVTGM-UHFFFAOYSA-N 391.290 3.518 0 40 GHAB CN1C(=O)C(=C2C[C@H](c3ccccc3)Sc3ccccc3N2)C(=O)N(C)C1=O 15670680 SEOKHSXBTVJOLE-QGZVFWFLSA-N 393.468 3.640 0 40 GHAB Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C2CCC2)n1 15672544 JUTGXTWSPQZEAA-KSZLIROESA-N 396.560 3.608 0 40 GHAB biogenic,in-vitro COC(=O)c1sc(NC(=S)N[C@@H](C)c2ccccc2)c(C(=O)OC)c1C 17080191 OEFRRYOPCPRSQY-NSHDSACASA-N 392.502 3.677 0 40 GHAB COc1ccc([C@H]2CN(Cc3cccc(F)c3)[C@@H]3CCCN(C(C)=O)[C@H]23)cc1 19017760 GDOZUXQCIYWITP-DNVJHFABSA-N 382.479 3.813 0 40 GHAB CCn1nc(C)c(NC(=O)CN2CCC[C@H](COc3cccc(C)c3)C2)c1C 19523856 BHONTIMCZSMDGR-IBGZPJMESA-N 384.524 3.558 0 40 GHAB CCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)[C@H]2C[C@H]2C)CC1 19530138 SSJBCOCGAHALTC-APWZRJJASA-N 396.487 3.712 0 40 GHAB COc1ccccc1-c1ccc(NC(=O)C[C@]2(C)C(=O)N=C3C=CC=CN32)cc1 19654971 HMUNCOXZKBUFJA-HSZRJFAPSA-N 387.439 3.774 0 40 GHAB COc1cccc(CN2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)c1 19712744 SLIFMZPZERNBER-XJUOHMSHSA-N 382.479 3.861 0 40 GHAB COc1cccc([C@@H]2CN(Cc3ccc(F)cc3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 19712851 HVLUVGRCENVSIG-XJUOHMSHSA-N 382.479 3.861 0 40 GHAB COC(C)(C)C(=O)N1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 19713437 NTIKKSCXAOZYLX-XMSQKQJNSA-N 390.499 3.513 0 40 GHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1c(F)cccc1F 19937629 BVYOLNFSRIGQGF-UHFFFAOYSA-N 375.762 3.550 0 40 GHAB CCOc1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1 19937641 PODKGSLTNNGCEH-UHFFFAOYSA-N 383.835 3.670 0 40 GHAB Cc1cccc(O[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1C 20493025 RWHSJUSNKZUSGT-HSRJRILOSA-N 378.516 3.928 0 40 GHAB Cc1noc(C)c1CC(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 21492679 OZRLFHAKOLDLMC-UHFFFAOYSA-N 390.745 3.688 0 40 GHAB CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(O)cc3)N2C1=O 22204826 PUKFGUIUJXFUQA-PZJWPPBQSA-N 389.455 3.952 0 40 GHAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccc(F)cc2)CC1 22531388 KPALIOTWLCZATQ-SFHVURJKSA-N 376.859 3.985 0 40 GHAB CCc1ccc(NCC(=O)Nc2ccc(I)cc2)cc1 24759887 JGRZBAZWGXEDHN-UHFFFAOYSA-N 380.229 3.904 0 40 GHAB Cc1ccc(OCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c(Br)c1 24767356 ZIBNYNSTWDFMPQ-UHFFFAOYSA-N 391.265 3.583 0 40 GHAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCC2CC2)c1 26201669 SVYJGFTVWJTFHD-UHFFFAOYSA-N 377.444 3.696 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Oc2cccc3c2OC(C)(C)C3)c1 27940159 UKGFOCYNGRKZRG-UHFFFAOYSA-N 396.848 3.608 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)Nc1ccccc1C(F)(F)F 31078760 QRVMQTIFPCYWST-VIFPVBQESA-N 386.757 3.864 0 40 GHAB Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)NCc3ccc(F)cc3)CC2)c1 31098543 OBFNHFOPWOLFCV-LJQANCHMSA-N 398.526 3.534 0 40 GHAB COC(=O)c1cccc(CN2C(=O)COc3ccc(-c4cscn4)cc32)c1 31869899 KGZRUEVFBJJVCI-UHFFFAOYSA-N 380.425 3.522 0 40 GHAB O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 34959980 OPUUOMNWXYQDMA-UHFFFAOYSA-N 394.862 3.942 0 40 GHAB Cc1nc2cc(C(=O)Nc3ccccc3NC(=O)c3ccccn3)ccc2n1C 35315078 ILPUKPQPHNHCEK-UHFFFAOYSA-N 385.427 3.781 0 40 GHAB COc1cc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)cc(OC)c1OC 36354835 OLOFVTYNTKFVDQ-UHFFFAOYSA-N 385.420 3.933 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(Cn3cnc4ccccc43)CC2)s1 38488524 AFEAZGLOSJUHPE-UHFFFAOYSA-N 375.519 3.507 0 40 GHAB O=C(c1cc(F)ccc1Br)N1CCCN(Cc2cccs2)CC1 40089156 DAUHFDDKCNPNIZ-UHFFFAOYSA-N 397.313 3.998 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 43800667 CUAQEEZPVBIGRT-NRFANRHFSA-N 394.519 3.816 0 40 GHAB COc1ccc(OCCCC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 44850527 RTXGBQPNASUTLV-UHFFFAOYSA-N 379.460 3.665 0 40 GHAB Cc1csc(CNC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)n1 45355266 OSKVNBOPIUZKBW-UHFFFAOYSA-N 379.432 3.534 0 40 GHAB COc1cccc(CO[C@@H](C)C(=O)NCCNc2ncc(Cl)cc2Cl)c1 47163191 JRXCDWIMGKHCRO-LBPRGKRZSA-N 398.290 3.530 0 40 GHAB CC[C@H](C)NC(=O)c1sccc1S(=O)(=O)N(C)c1ccc(C)c(C)c1 48991269 MQPYBWDYVVSHQU-AWEZNQCLSA-N 380.535 3.718 0 40 GHAB CCOc1cccc(CNc2c(C(=O)OC)c(=O)[nH]c3ccc(Cl)cc23)c1 49001561 BKFQNQNCDVEGGW-UHFFFAOYSA-N 386.835 3.979 0 40 GHAB Cc1cccc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)cn2C)n1 49551856 NHQFCADVGQFYRZ-UHFFFAOYSA-N 383.835 3.573 0 40 GHAB COc1ccc(-c2cc(C(=O)NCc3cccc(Br)c3)n[nH]2)cc1 51315905 SQJPBLODBLFGSC-UHFFFAOYSA-N 386.249 3.778 0 40 GHAB C[C@H](C(=O)c1ccc(F)cc1)n1nnc(-c2ccc(Br)cc2)n1 57485104 WDNQHZASMJEAGT-SNVBAGLBSA-N 375.201 3.686 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccco1 58061253 UWHSWIUYFQAPOF-INIZCTEOSA-N 392.883 3.907 0 40 GHAB CCOC(=O)CN(C(=O)CN1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 58062931 SYVFLIRNMBNSPH-FQEVSTJZSA-N 384.451 3.559 0 40 GHAB CC[C@@H]1CCCCN1c1cc(SCC(=O)N2CCc3ccccc32)ncn1 67255880 IVEBHDBRBGNNIC-QGZVFWFLSA-N 382.533 3.927 0 40 GHAB Cc1cccc(Cn2cnc3c(cnn3-c3ccc(Br)cc3)c2=O)c1 67257902 YBSDICNVRVFPJA-UHFFFAOYSA-N 395.260 3.701 0 40 GHAB O=C(O)CC1(CC(=O)Nc2cc(N3CCOC3=O)ccc2F)CCCCC1 67456214 VUCRTOFCCLEQJI-UHFFFAOYSA-N 378.400 3.536 0 40 GHAB CCOC(=O)c1s/c(=N/C(=O)CCn2ccc3ccc(Cl)cc32)[nH]c1C 71280216 PUJHKYUQUMGTEI-UHFFFAOYSA-N 391.880 3.687 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc(OCc2ccccn2)cc1 71281110 WEIAWRHTFHTTMJ-QGZVFWFLSA-N 378.432 3.855 0 40 GHAB COC(=O)c1cc(NC(=S)Nc2ccc(F)c(C)c2)cc(C(=O)OC)c1 71326132 VJVKTOQBGDROHQ-UHFFFAOYSA-N 376.409 3.516 0 40 GHAB Cc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(F)cc23)c2cccnc12 72289866 YUSGAWPUBLCCQT-UHFFFAOYSA-N 383.448 3.685 0 40 GHAB COc1ccccc1[C@@]1(O)CCC[C@H]2CN(Cc3cnc(C(C)C)nc3)C[C@H]21 72340982 ZMAOSUYZYDLIEB-NOXFTYBFSA-N 381.520 3.728 0 40 GHAB CC(=O)c1c(C)cc(C)c(C[S@@](=O)[C@@H](C)C(=O)N2CCCCCC2)c1C 75472131 XQQLLBLYJMZRAQ-QYBDOPJKSA-N 377.550 3.854 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CC(C)C)c1 79098058 VDJIGAVZVMCBKD-SFHVURJKSA-N 380.554 3.758 0 40 GHAB COc1cccc(C[C@H]2CCCN2C(=O)c2cncc(Br)c2)c1 83973338 REVOJGWWGIVKIG-MRXNPFEDSA-N 375.266 3.700 0 40 GHAB CC(C)c1nc(N2CCN(C3=NCC(C)(C)S3)CC2)c2ccsc2n1 95080576 BYEYBIAXHABAEB-UHFFFAOYSA-N 375.567 3.818 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)OCC3CN(C(=O)OC(C)(C)C)C3)cc2)n1 95942821 BEIFHHRRTZWSHF-UHFFFAOYSA-N 385.464 3.513 0 40 GHAB COc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@H]2C3)c1 100519927 SBXLHOXIAJLQSU-PBFVBANWSA-N 392.455 3.719 0 40 GHAB CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2c(C)ccc(OC)c21 100908802 PCBYCEQKVDPQFI-MRCUWXFGSA-N 386.473 3.798 0 40 GHAB CC1=C(c2ccccc2)[C@@H]2[C@@H]3C=C[C@H](n4c(=O)n(-c5ccccc5)c(=O)n43)[C@@]12C 101048883 IBMOYNVTDRYDMG-OEEHMVQOSA-N 383.451 3.576 0 40 GHAB CCCCN(C)C(=O)[C@@H](C(=O)c1ccc(Cl)cc1Cl)n1ccccc1=O 199425662 AZMAPSVCYYCUGV-QGZVFWFLSA-N 395.286 3.838 0 40 GHAB CSc1ccc(CCC(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)cc1 206972416 GNPRGCBKPJMKOM-UHFFFAOYSA-N 387.501 3.673 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc(Br)cc2)c1 218816930 ITJWYZWLECCQRL-UHFFFAOYSA-N 392.249 3.952 0 40 GHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccs2)no1 219615851 MFVXDXZPJWMPHJ-CYBMUJFWSA-N 377.853 3.925 0 40 GHAB CC(C)N(Cc1ccc(C(=O)O)o1)C(=O)c1ccc2nc(Cl)n(C)c2c1 222552746 OFPSTTOCWGQUDO-UHFFFAOYSA-N 375.812 3.569 0 40 GHAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 223442528 UFZMOLUWNKBEFD-UXHICEINSA-N 378.501 3.601 0 40 GHAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 223551521 HFYNHONOWWKFOG-LJQANCHMSA-N 396.531 3.614 0 40 GHAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 223706120 KXZOPNTVWQGLHU-PMACEKPBSA-N 398.532 3.534 0 40 GHAB CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1 224850027 YAMDCRROLVSQML-UHFFFAOYSA-N 391.489 3.577 0 40 GHAB CSc1ccc(S(=O)(=O)NCC2=CCCCC2)cc1NC(=O)C(C)C 225101483 IDPMXLDJJHILKP-UHFFFAOYSA-N 382.551 3.782 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)N(C)Cc3ccc(C)cc3)ccc21 225729994 KYLVJUXDQVAKRI-UHFFFAOYSA-N 390.530 3.602 0 40 GHAB C/C(=C\c1ccccc1)C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 225737765 RTGPUQALZXEYPO-BMRADRMJSA-N 376.504 3.544 0 40 GHAB O=C(CSc1ccc(F)cc1)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 238873711 NNBZAOQJZHOERG-ROUUACIJSA-N 383.448 3.711 0 40 GHAB Cc1cc(Cc2ccccc2C)cc([C@H]2CN(Cc3cnn(C)c3)CCO2)n1 257216914 CWQPPSQWMWVYQB-HSZRJFAPSA-N 376.504 3.596 0 40 GHAB CNC(=O)c1sc2nc([C@H]3CCCCN3C(=O)OC(C)(C)C)ccc2c1N 257258206 KSURWOVDNHHQLR-CYBMUJFWSA-N 390.509 3.700 0 40 GHAB O=C(c1ccncn1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257267912 MJKGICMHCYQGMF-HNNXBMFYSA-N 382.851 3.729 0 40 GHAB Cc1ncsc1C(=O)N1CCC(Cc2cc(-c3c(C)noc3C)ncn2)CC1 257277644 NYVHLKCROSHCGC-UHFFFAOYSA-N 397.504 3.608 0 40 GHAB O=C(NCc1ccccn1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257335199 YJBJRZMEBDCBBF-UHFFFAOYSA-N 387.483 3.799 0 40 GHAB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)Nc1ccc(F)cc1 408659813 POCUPYYIBQVUJS-SNHGZMDHSA-N 395.430 3.853 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)NCc3ccccc3OC(C)C)CC2=O)cc1 408708022 NIBCMEJJVFAMSV-SFHVURJKSA-N 396.487 3.542 0 40 GHAB Cc1cccc(-c2nnc3n2C[C@H](C(=O)NC[C@@H]2[C@H]4Cc5ccccc5[C@H]42)CC3)c1 516393298 WLMOBBWMBLIXIS-KTDPBYDISA-N 398.510 3.518 0 40 GHAB O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1c[nH]c2ncccc12 540124537 LMMKZUVFCIJYQK-FQEVSTJZSA-N 397.438 3.859 0 40 GHAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)CSc3c[nH]c4ccccc34)C2)n1 575613798 UNXLACBBMPDBAI-MRXNPFEDSA-N 396.516 3.737 0 40 GHAB Cn1ccc(CC(=O)N2CCC3(CCc4cc(-c5ccoc5)ccc43)CC2)n1 585105648 VDPCUPLJMKBHND-UHFFFAOYSA-N 375.472 3.729 0 40 GHAB Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N(C)C[C@H]1C[C@@H](O)C1 626400144 UDQSJOAJOAMSKJ-KDYLLFBJSA-N 396.466 3.922 0 40 GHAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)c1ccccn1)C2 643578330 SDMDRAIXFCOSSV-UXHICEINSA-N 378.520 3.781 0 40 GHAB CCN(C(=O)c1ccc2c(c1)nc(O)n2C1CC1)[C@@H](C)[C@@H](O)c1ccccc1 854562878 ISGTVRHNGDQKKP-VBKZILBWSA-N 379.460 3.661 0 40 GHAB COc1ccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c(C)c1 1615120989 LJJJDNKWUYWUCT-UHFFFAOYSA-N 398.478 3.541 0 40 GHAB CC(=O)N1CCN(Cc2csc(C)n2)C[C@H](Cc2cnc3ccccc3c2)C1 1615192330 UDYHGJRXEGENAM-IBGZPJMESA-N 394.544 3.523 0 40 GHAB COc1ccc(N2C[C@@H](NC(=O)N(Cc3ccccc3)CC(C)C)CC2=O)cc1 1687010181 OKFVTCSICNXWRN-IBGZPJMESA-N 395.503 3.668 0 40 GHAB Brc1cnn(CC2CN(Cc3ccccc3Br)C2)c1 1889136289 WLLUJVCOXFOPPL-UHFFFAOYSA-N 385.103 3.540 0 40 GHAB Cc1noc(C)c1CN1C[C@H]2C[C@H](O)[C@@H](n3ccnc3-c3ccccc3)C[C@H]2C1 2332242897 YFDKRGHQBGFUTJ-MXNKGDRCSA-N 392.503 3.599 0 40 GHAB COc1cccc2c1O[C@@H](C)C(=O)N(c1ccc(F)cc1Br)C2 77100667 CWVWVGQLWFBDBO-JTQLQIEISA-N 380.213 3.911 0 40 GHAB Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1Br 751817 SXOXUUUBYKORAE-UHFFFAOYSA-N 381.233 3.642 0 40 GHAB Cc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc(Br)cc1 2705775 MKLRBQOZRSGVSQ-UHFFFAOYSA-N 375.201 3.730 0 40 GHAB CCCCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccncc1 4169764 IWRWCLHNNIPOCE-UHFFFAOYSA-N 397.504 3.880 0 40 GHAB COc1cc(C(=O)Nc2cc(-c3nnco3)ccc2C)ccc1OC(F)F 47320783 KPKHCLYOMAEPAJ-UHFFFAOYSA-N 375.331 3.907 0 40 GHAB COc1ccc(-c2cc3nc4c(c(NCC(C)(C)CN(C)C)n3n2)CCC4)cc1 4980252 VFQUJSXNZQCLNM-UHFFFAOYSA-N 393.535 3.893 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 7305774 HCDRRHSFJNFCRL-LBPRGKRZSA-N 384.295 3.887 0 40 GHAB O=C1c2ccc(Cl)cc2C(=O)N1c1ccccc1I 994706 WWHKARYKPURARP-UHFFFAOYSA-N 383.572 3.745 0 40 GHAB CCOC(=O)c1cc(CC)sc1NC(=O)c1nn(-c2ccccc2)nc1C 23686400 JVBHHZXKTLVPJV-UHFFFAOYSA-N 384.461 3.629 0 40 GHAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 10253519 JVKNLFMQCABKAC-LBPRGKRZSA-N 378.519 3.702 0 40 GHAB CCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 8476531 DZFFWLKWNZPFAP-UHFFFAOYSA-N 385.265 3.837 0 40 GHAB COc1ccc(-c2nn(CC(=O)c3ccc4c(c3)OCCO4)c(=S)o2)cc1 8492904 HWORPHGKTLSGTG-UHFFFAOYSA-N 384.413 3.535 0 40 GHAB Cc1cccc(N(CCCC(=O)NCc2ccccc2Cl)S(C)(=O)=O)c1 8496945 DLMGWSJYLIPTGX-UHFFFAOYSA-N 394.924 3.511 0 40 GHAB CCc1cccc2c(C(=O)CN3C(=O)N[C@@](C)(c4ccc(C)cc4)C3=O)c[nH]c12 8943090 BHHMDXZJVHAOOG-QHCPKHFHSA-N 389.455 3.689 0 40 GHAB CC(C)[C@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1nc2ccccc2[nH]1 12525520 QQANNUWMSKOYMX-AWEZNQCLSA-N 375.358 3.829 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3C(c4ccccc4)=NN(c4ccccc4)[C@@H]3C2=O)cc1 100739662 AZEUNCWIFNZFJC-IRLDBZIGSA-N 381.435 3.778 0 40 GHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccccc2OC(F)F)c1 55553581 KSVOQKCWXHXWAF-UHFFFAOYSA-N 389.402 3.630 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 12584275 PTSSMPMMOZEYRP-UHFFFAOYSA-N 389.502 3.706 0 40 GHAB Cc1cccc(NC(=O)CN(C)Cc2nc(O)c3oc4ccccc4c3n2)c1C 34870503 WOUVSLOBPCPQFW-UHFFFAOYSA-N 390.443 3.769 0 40 GHAB O=C([C@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1)N1CCCCC1 12557432 ZYPXHESJPBCYOX-JOCHJYFZSA-N 377.488 3.979 0 40 GHAB O=C(CCN1CCC[C@@H]1C(=O)NCc1ccco1)Nc1cccc2ccccc12 26134683 HSDADUFUCQDMNY-OAQYLSRUSA-N 391.471 3.542 0 40 GHAB O=C1CCC(=O)N1CCSc1ncc(-c2ccccc2)n1-c1ccccc1 12544281 ZLQLMKSPQCPDAK-UHFFFAOYSA-N 377.469 3.780 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)CN[C@H](C)c1ccc(Cl)cc1 57389707 OZMUBRAOUAFDQA-GFCCVEGCSA-N 375.856 3.596 0 40 GHAB C[C@H](NC(=O)COC(=O)/C=C/c1ccc(Br)o1)[C@H]1C[C@H]2CC[C@H]1C2 108335304 KJFXYJGNXRYXOF-DBPBCFAGSA-N 396.281 3.539 0 40 GHAB Cn1cccc1[C@@H]1CCCN1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 57650180 LOLLWZMBXSXFPO-SFHVURJKSA-N 383.492 3.621 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cc(C(F)(F)F)c2)cc1F 57769614 UQZJBNNVHWEJOS-UHFFFAOYSA-N 377.315 3.652 0 40 GHAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNc2cncc(-n3cccn3)n2)C1 57992290 DUBNLWVKSSSOCH-ROUUACIJSA-N 376.508 3.752 0 40 GHAB CCn1cc2ccc(NC(=O)[C@H](NC(=O)c3cccc(C)c3)C(C)C)cc2n1 58023046 CEMDHJQRTDRTKW-HXUWFJFHSA-N 378.476 3.758 0 40 GHAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 58033953 XUKASYONQWGCKS-UWJYYQICSA-N 396.535 3.771 0 40 GHAB Cc1cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)c2c(C)c(C)c(=O)oc2c1 2093114 IISBLLVWDAYWIH-ZDUSSCGKSA-N 375.421 3.537 0 40 GHAB biogenic O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(-n2cnnn2)cc1 21866980 ZBIAJFZXPFKDTA-UHFFFAOYSA-N 389.390 3.524 0 40 GHAB CCOc1ccc([C@H]2C=C(c3ccccc3)Nc3nc(CCCO)nn32)cc1 100806464 JJJPBOJGHJGQDL-HXUWFJFHSA-N 376.460 3.658 0 40 GHAB C[C@@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1 12776755 QUQGPYUITPWLSR-CQSZACIVSA-N 381.501 3.604 0 40 GHAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 20108636 AWNXKEZPRCHNGA-ZWKOTPCHSA-N 388.533 3.644 0 40 GHAB O=C(Cc1ccccc1)NCCC(=O)N[C@H](c1ccccc1)c1cccs1 12740443 ZJIMSGNPLDYMON-JOCHJYFZSA-N 378.497 3.703 0 40 GHAB CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3cccc4ccccc34)ccc21 56100750 MGAYAFMNXURIOY-UHFFFAOYSA-N 394.496 3.570 0 40 GHAB O=C(/C=C/c1cccc(Br)c1)N1CCN(c2ccccc2O)CC1 3349985 VOZPVGMOZPYKAU-CMDGGOBGSA-N 387.277 3.517 0 40 GHAB O=c1c(F)cn(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc(Cl)cc1 2311349 HPNRRQDMPUYTSZ-UHFFFAOYSA-N 379.218 3.553 0 40 GHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1cccc(Cl)c1 2328056 QIANUZPXBIYDDN-GOSISDBHSA-N 380.835 3.921 0 40 GHAB CCN(CC)[C@H](CNC(=O)N[C@H](C)c1cccc(NC(C)=O)c1)CC(C)C 45537904 FJLLCZYAQLOCMU-UZLBHIALSA-N 376.545 3.762 0 40 GHAB CC(C)CNC(=O)CCn1nc(C(F)(F)F)c(Br)c1C1CC1 28227202 WGACRDOPBLLICT-UHFFFAOYSA-N 382.224 3.704 0 40 GHAB O=C(NCCc1ccccc1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 22481296 XFNCMSLREOOUIA-NRFANRHFSA-N 386.499 3.719 0 40 GHAB O=C(NC1CCCCCC1)c1nc(Cn2c(C(F)F)nc3ccccc32)no1 21451933 NZTGTGJELSNRAD-UHFFFAOYSA-N 389.406 3.858 0 40 GHAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1c[nH]c2ccccc12 3458279 VSMIMZHVHQZFNP-UHFFFAOYSA-N 385.419 3.830 0 40 GHAB CSc1ccc(/C=c2/sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 3637322 CATGNHOKEJZIEX-OQLLNIDSSA-N 385.901 3.741 0 40 GHAB O=C1S[C@@H](Cc2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1Cl 409149977 XACBNGMRMXRLHX-INIZCTEOSA-N 375.833 3.875 0 40 GHAB O=C(Nc1cccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)c1)c1cccs1 24033425 FREAWYVWYHCQKS-UHFFFAOYSA-N 397.500 3.588 0 40 GHAB Cc1ccc(-n2ncc3c2ncn2nc(COc4c(C)cccc4C)nc32)cc1 5101004 QSCDBCUSRDUQLD-UHFFFAOYSA-N 384.443 3.967 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 6298911 WXMJQYDLFYIBAG-MLGOLLRUSA-N 377.282 3.911 0 40 GHAB CC(C)c1ccc(-n2nnnc2S[C@@H](C)C(=O)NCC2CCCCC2)cc1 5217747 LMPSTHUYESNEIS-HNNXBMFYSA-N 387.553 3.963 0 40 GHAB O=C(NCc1ccccc1Cl)c1ccc2c(=O)n3c(nc2c1)CCCCC3 5270036 YXOYXMWGNIHEFV-UHFFFAOYSA-N 381.863 3.706 0 40 GHAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(O)c(Br)c3)C2=O)c1 4470918 DBRLJVFXIICNPL-OQLLNIDSSA-N 387.233 3.556 0 40 GHAB O=c1c2c3c(sc2ncn1C[C@@H](O)c1ccccc1C(F)(F)F)CCC3 65500905 PJXOPMANCTUWQA-CYBMUJFWSA-N 380.391 3.699 0 40 GHAB NC(=O)[C@@H](NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 14197546 RZDVJGWHRGTJKP-DYLHUKMJSA-N 382.769 3.715 0 40 GHAB CCOc1ccc([C@H](CC(=O)O)NC(=O)c2c(-c3ccccc3)noc2C)cc1 4602530 RUQBAXSNERZBNX-SFHVURJKSA-N 394.427 3.995 0 40 GHAB O=C(OCc1nc2ccccc2c(=O)[nH]1)c1c2c(nc3ccccc13)CCCC2 6654293 ZXCSDGKLWLZAFG-UHFFFAOYSA-N 385.423 3.707 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 4706308 JBNRTVNSSNRQDM-CYBMUJFWSA-N 380.897 3.978 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2ccccc2SCCOC)nc1C 4731571 AJUXIYFHIYMTSW-UHFFFAOYSA-N 380.491 3.619 0 40 GHAB COC(=O)c1ccc(COC(=O)c2c(NC(=O)C(C)C)sc3c2CCC3)o1 6785123 AAWAGCNKCQFSDV-UHFFFAOYSA-N 391.445 3.568 0 40 GHAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2cc(C)ccc2OC)C(C)C)cc1 6778562 LYQBFNHBMFFAFJ-FQEVSTJZSA-N 384.476 3.795 0 40 GHAB CCn1c(SCC(=O)N2CCS[C@H]2c2ccccc2F)nnc1C1CC1 9365897 QEWYBCPFCZVULX-KRWDZBQOSA-N 392.525 3.681 0 40 GHAB Cc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)[nH]c1-c1ccccc1 4945298 FSAXJFGBBOTMJP-UHFFFAOYSA-N 381.457 3.522 0 40 GHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3[nH]c(C)c(C(C)=O)c3C)o2)cc1 7482539 PQEDXVZVTJFZTF-CYBMUJFWSA-N 383.404 3.811 0 40 GHAB Cn1c([C@@H]2CCCN2C(=O)CCCc2nc(C(C)(C)C)no2)nc2ccccc21 68004460 WIFLCBQQPMEBTQ-KRWDZBQOSA-N 395.507 3.940 0 40 GHAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc2ccccc2n1 7979377 LGJRYSXMAQGTDE-UHFFFAOYSA-N 391.471 3.579 0 40 GHAB Cc1ccsc1/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 8290614 CZKFRXKNNJBHGZ-MDZDMXLPSA-N 390.530 3.883 0 40 GHAB O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCN(c2ccccn2)CC1 8232072 UOUJBQJYDDQDGZ-UHFFFAOYSA-N 390.468 3.914 0 40 GHAB O=C(Nc1ccccc1Br)c1cn2c3c(cccc3c1=O)CCC2 22235240 SHKRRJNKWQBCIJ-UHFFFAOYSA-N 383.245 3.963 0 40 GHAB O=c1cc(COc2ccc(F)cc2Cl)nc2ccc(Br)cn12 8315457 YJJHFAVSOLSKAG-UHFFFAOYSA-N 383.604 3.829 0 40 GHAB Cc1cc(-c2ccc(/C=C3\NC(=S)N(C)C3=O)o2)ccc1Br 409138977 KQITVXMKZHBUSV-JYRVWZFOSA-N 377.263 3.705 0 40 GHAB C[C@H]1CCc2ccccc2N1C(=O)CSc1n[nH]c2nc3ccccc3n12 8778536 RVYGSLZQNGIPFQ-ZDUSSCGKSA-N 377.473 3.671 0 40 GHAB CCCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1Br 19943114 XPEWGGWYYCMRIM-BETUJISGSA-N 390.343 3.905 0 40 GHAB CN(C)Cc1cc(CNC(=O)c2cc(Br)ccc2F)ccc1F 97572695 ZWENRUXTLLWJGM-UHFFFAOYSA-N 383.236 3.719 0 40 GHAB CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(C)c(C)s2)c1 89942310 QBTOKKCGHKNEQN-CYBMUJFWSA-N 380.535 3.835 0 40 GHAB O=C(CN1CCN(c2ccccc2F)CC1)c1ccc(Br)s1 67206262 OAVRBXKLHVMOMR-UHFFFAOYSA-N 383.286 3.655 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2ccc(Cl)cc2)cc1 22276043 AZAGMNZVKWFXRL-UHFFFAOYSA-N 394.924 3.758 0 40 GHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)o1 409156060 SWXPTFDJPCDOSZ-RIYZIHGNSA-N 376.821 3.916 0 40 GHAB CC(C)(CN1CCCCC1)NC(=O)c1ccc2c(c1)nnn2C1CCCCC1 35322644 ZVSCPQOHOGWTHC-UHFFFAOYSA-N 383.540 3.931 0 40 GHAB CN1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)c(Cl)cc2N)CC1 72229310 WZCMBZQHJYCGKL-UHFFFAOYSA-N 379.291 3.580 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCCC2=O)c(C)c1 38696154 AZKYSFLBSUGCDB-UHFFFAOYSA-N 394.880 3.585 0 40 GHAB COc1cccc(-n2cnc3cc(C(=O)Nc4ccc(F)cc4)ccc3c2=O)c1 32095357 HECLXYGHXKPUID-UHFFFAOYSA-N 389.386 3.786 0 40 GHAB O=C(Nn1c(-c2cccs2)nc2cc(Cl)ccc2c1=O)c1ccncc1 35315594 LHSZVTYQZSWCHD-UHFFFAOYSA-N 382.832 3.557 0 40 GHAB CC(C)(C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCC1=CCCCC1 217453527 QAPZBYUQYOKTHA-UHFFFAOYSA-N 380.510 3.764 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 225202621 BZZHJFZXKFRBSG-INIZCTEOSA-N 388.895 3.662 0 40 GHAB Cc1ccc(C(=O)NCCOc2ccc(F)cc2)c(I)c1 225030504 PPEUEDPFFLMBIQ-UHFFFAOYSA-N 399.203 3.548 0 40 GHAB Cc1ccc(-c2noc(CNC(=O)c3ccc(Cn4ccnc4C)cc3)n2)cc1 225299782 HFQFJPMFPYMJJR-UHFFFAOYSA-N 387.443 3.528 0 40 GHAB CCOc1cccc(CNc2c(C(=O)OC)c(=O)[nH]c3c(Cl)cccc23)c1 49001621 UITIUZVBLIGVES-UHFFFAOYSA-N 386.835 3.979 0 40 GHAB CC[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc(C)c(C)c1 222443461 XAJMIHIJDGKROR-LJQANCHMSA-N 388.533 3.889 0 40 GHAB Cc1cc(NC(=S)N[C@H](C)COc2ccccc2)ccc1N1CCCC1=O 225784143 HQCPAWCWJYQDLB-MRXNPFEDSA-N 383.517 3.876 0 40 GHAB CC[C@@H](C)NC(=O)c1sccc1S(=O)(=O)N(C)c1ccc(C)c(C)c1 48991266 MQPYBWDYVVSHQU-CQSZACIVSA-N 380.535 3.718 0 40 GHAB Cc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1C 137746076 UBNVZGFMDNRCMA-UHFFFAOYSA-N 384.860 3.501 0 40 GHAB Cc1c(Cl)cccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222512348 SXRAVPXARQXENB-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCN(c2ccccc2F)CC1 226041882 DTDURTIOKASBLG-UHFFFAOYSA-N 386.810 3.548 0 40 GHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 223047395 YTOMGDMPSUOOSR-VQTJNVASSA-N 396.516 3.533 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 224847181 SSYSGASDLFLTBO-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCC[C@@H](C)C3)n2)o1 225916705 ONVKNFJXEVNXJK-LLVKDONJSA-N 379.917 3.754 0 40 GHAB Cc1ccc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1C 225692591 XVHYZMKWYTVPFY-HXUWFJFHSA-N 380.532 3.830 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 225469396 KXEZRYUKZMAHLD-MRXNPFEDSA-N 388.895 3.661 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 224970845 GTEVPJMYJVFXFN-IAGOWNOFSA-N 388.533 3.589 0 40 GHAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2ccc(C(C)C)cc2)cc1 224581037 PUBNZJUSOHWOOD-UHFFFAOYSA-N 391.489 3.577 0 40 GHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223869329 URZRFXZUQGNBOT-UGSOOPFHSA-N 395.908 3.778 0 40 GHAB Cn1c(=O)oc2c(C(=O)NC(C)(C)c3ccc(C(F)(F)F)cc3)cccc21 1596492952 GJFVXBXRZJQUBE-UHFFFAOYSA-N 378.350 3.815 0 40 GHAB Cc1ccc(N2C[C@]3(CCN(C(=O)c4ccc5ccccc5n4)C3)CC2=O)cc1 96238462 ZYJIQCXHLLTIDQ-XMMPIXPASA-N 385.467 3.812 0 40 GHAB CN(C)C(=O)c1sc2nc([C@]3(C)CCCN(c4ccccn4)C3)ccc2c1N 257281285 OOKRWTQCGGQACY-OAQYLSRUSA-N 395.532 3.533 0 40 GHAB CCc1ccc(S(=O)(=O)NCC(O)(c2cccs2)c2cccs2)s1 90617362 CTFWFOZPCCHNJP-UHFFFAOYSA-N 399.584 3.648 0 40 GHAB O=C1CCCN1CCC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 618964883 OLXIELWBQRVEEU-FQEVSTJZSA-N 388.920 3.888 0 40 GHAB O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCOc2ccccc21 642297049 AGZSKBOEJKCKKR-UHFFFAOYSA-N 390.439 3.655 0 40 GHAB Cn1ccnc1C[C@H](Nc1nc(C(F)(F)F)nc2[nH]cnc12)c1ccccc1 683459487 TXXLAPSHMMWZDQ-LBPRGKRZSA-N 387.369 3.501 0 40 GHAB Cc1nc(-c2cnn(C)c2)oc1C(=O)N(C(C)C)[C@H]1CCCc2cccnc21 606445878 CLCQMXIOYAUTHV-KRWDZBQOSA-N 379.464 3.707 0 40 GHAB COc1ccc(CCNC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc1 96024948 DTPZLVYEJQPFAK-UHFFFAOYSA-N 389.883 3.539 0 40 GHAB O=C(CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)NC1CCCCC1 49377762 UUZMHGPQVUJOJW-UHFFFAOYSA-N 386.471 3.504 0 40 GHAB CN(c1ccccc1)c1ccccc1C(=O)NC1CCN(c2ncccn2)CC1 49761152 YPDBNEBLPPFJAM-UHFFFAOYSA-N 387.487 3.643 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 11856718 FCVLCUNQHTWKQZ-UHFFFAOYSA-N 399.786 3.853 0 40 GHAB COc1cccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)c1 12789927 CNYLFOVHBBQJOA-RGEXLXHISA-N 387.399 3.579 0 40 GHAB Cc1ccc2c(c1)[C@H]1NC(=S)N[C@@](C)(O2)[C@H]1C(=O)Nc1ccc(Cl)cc1 13483522 SGASQZHAKQZCRU-MDZRGWNJSA-N 387.892 3.531 0 40 GHAB COc1cc(CNCc2cccs2)ccc1Oc1nnnn1-c1ccccc1 13717572 BTWJZMYVCOWEMV-UHFFFAOYSA-N 393.472 3.815 0 40 GHAB Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 14507958 UQPGFRRCQIFFQR-PQCJFMQRSA-N 380.532 3.819 0 40 GHAB COc1ccc(-n2[nH]c3[nH]c(-c4ccc5ccccc5c4)cc(=O)c3c2=O)cc1 17078267 FECAVGOQQBUUNU-UHFFFAOYSA-N 383.407 3.836 0 40 GHAB Cc1ccc2nc(CCc3ccc(NC(=O)[C@H](C)Cn4cncn4)cc3)[nH]c2c1 19221547 VZYODTDJOHIOMH-MRXNPFEDSA-N 388.475 3.523 0 40 GHAB CCCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCC2)CC1 19502160 RIMQNQBIBZQPSS-NRFANRHFSA-N 382.556 3.513 0 40 GHAB CCOc1ncccc1C(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C 19531467 QOKHSMVOZDATTO-CEMLEFRQSA-N 393.531 3.963 0 40 GHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccccn2)C1 19591614 VGSAFCDXWREYQL-RUZDIDTESA-N 399.494 3.570 0 40 GHAB Cc1ccc(C2(C(=O)N3CCC[C@H]3c3cc(CN(C)C)n(C)n3)CCCC2)cc1 19709089 VETFRSLMFRQUKU-QFIPXVFZSA-N 394.563 3.966 0 40 GHAB COc1cc(OC)c2c(c1)N(C(=O)c1nscc1Br)CCC2 628701898 IFFFANJPPFPBKA-UHFFFAOYSA-N 383.267 3.516 0 40 GHAB O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1ccn(C2CCOCC2)n1 629946894 BWSUPWCYLZLFRX-UHFFFAOYSA-N 390.415 3.889 0 40 GHAB CCCc1ncc(CN2CCCC[C@H]2c2cc3nc(C)c(CC)c(O)n3n2)cn1 12242204 RPIQNNWXLUCCAL-IBGZPJMESA-N 394.523 3.775 0 40 GHAB Cc1ccc(CC(=O)N[C@@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)cc1 12337184 OQMANBPBZBXQFB-HYBUGGRVSA-N 392.499 3.559 0 40 GHAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)c2ccc3nccnc3c2)C1 1889291088 PBXZEGNOWAZRKA-UHFFFAOYSA-N 385.471 3.974 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)c1 4326932 HCOYAQMGUYSDNV-UHFFFAOYSA-N 390.472 3.534 0 40 GHAB COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1OC 4305096 CVSPNFXZCMHWPY-IBGZPJMESA-N 392.455 3.831 0 40 GHAB CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(F)cc3)ccc21 8840896 LBDOWLJZAMKKFW-UHFFFAOYSA-N 390.480 3.703 0 40 GHAB CCOc1ccc(C(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)cc1 10335845 TZZZAVMGIJQGHL-UHFFFAOYSA-N 377.444 3.660 0 40 GHAB O=C(CCCn1nc(-c2ccco2)ccc1=O)Nc1ccc(F)c(Cl)c1 11695836 XZICQVKUZURIOA-UHFFFAOYSA-N 375.787 3.715 0 40 GHAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)no2)cc1 13596963 SMYZORMYDLMJCW-UHFFFAOYSA-N 391.493 3.579 0 40 GHAB O=C(Cc1csc(NC(=O)NC2CCCC2)n1)NCc1ccc(Cl)cc1 17155844 NFDZVFIQPBANDF-UHFFFAOYSA-N 392.912 3.720 0 40 GHAB CC(C)c1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)nn1-c1nc2ccccc2s1 17246928 KSHURHJOZHIDOG-OKILXGFUSA-N 384.505 3.855 0 40 GHAB COc1ccc(C(=O)NCc2ccc([C@H](O)c3ccccc3)s2)cc1OC 217547826 DPJDZPOFIPEQGG-HXUWFJFHSA-N 383.469 3.777 0 40 GHAB Cc1nn(CCNC(=O)c2cc3ccccc3oc2=O)c(C)c1-c1ccsc1 575614796 IFCVXRCIGFQOGJ-UHFFFAOYSA-N 393.468 3.765 0 40 GHAB CC(=O)c1ccc(NC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 40135605 YNTCGWRGQFJCES-UHFFFAOYSA-N 380.473 3.853 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)c2cccc(NC(N)=O)c2)cn1 40091102 PGVGLRVYWUBONT-UHFFFAOYSA-N 392.415 3.934 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100574879 IVCLPPATURSDDN-LSOMNZGLSA-N 392.842 3.904 0 40 GHAB CCn1c(SCc2noc(CC(C)C)n2)nc2sc(C)c(C)c2c1=O 31439113 XQJNDKPRSHGUKS-UHFFFAOYSA-N 378.523 3.969 0 40 GHAB COc1ccc(C2=C[C@@H](c3c(F)cccc3Cl)n3nnnc3N2)cc1OC 101025118 YPGJRURARSFCSQ-AWEZNQCLSA-N 387.802 3.539 0 40 GHAB C[C@@H](C1CC1)N(C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)C1CC1 32814627 GVEPFXJZVVHQRB-HNNXBMFYSA-N 379.504 3.916 0 40 GHAB CCN1C[C@@H](CN(C)C(=O)c2ccc3nc(C)c(C)nc3c2)Oc2ccccc21 32820763 KOUFCGDQMQNGAP-GOSISDBHSA-N 390.487 3.606 0 40 GHAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(O)cc2)c1 1263576 CUMOMUCMIBYPKM-FQEVSTJZSA-N 384.391 3.952 0 40 GHAB CC(=O)N1CCc2cc(-c3csc(NC(=O)COc4ccccc4)n3)ccc21 1365559 XORKDXBJYSNCQL-UHFFFAOYSA-N 393.468 3.737 0 40 GHAB CC(C)(C)[C@H]1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnnn32)C1 2281488 GPRVQOCEAVHPTR-AWEZNQCLSA-N 393.516 3.700 0 40 GHAB CCOc1ccc(-n2nnc(C(=O)Nc3ccc(OC)c(Cl)c3)c2C)cc1 2713293 VBLQVTBZJMBWJA-UHFFFAOYSA-N 386.839 3.889 0 40 GHAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 2723215 KWNXHGJLUZVRPD-UHFFFAOYSA-N 397.456 3.731 0 40 GHAB COc1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCC3)cc1OC 2966422 GHUGHVCXHTWQLC-NRFANRHFSA-N 387.887 3.617 0 40 GHAB COc1ccc([C@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCCC3)cc1OC 2974655 NRDODKAIBKSJBD-HSZRJFAPSA-N 381.496 3.663 0 40 GHAB COC(=O)c1c(-c2ccccc2)csc1NC1=NS(=O)(=O)c2ccccc21 3272746 GFEUXMCTBKNSKN-UHFFFAOYSA-N 398.465 3.763 0 40 GHAB aggregator O=C(NCc1ccccc1F)c1cc2cc(Br)ccc2oc1=O 3325270 VUVZPUIBIQRRNE-UHFFFAOYSA-N 376.181 3.625 0 40 GHAB CCOC(=O)c1sc2nc(C)nc(NC[C@@H]3COc4ccccc4O3)c2c1C 3343393 WOXMXOUNUDJFFP-CYBMUJFWSA-N 399.472 3.737 0 40 GHAB CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccccc1OC 3401438 SAXJYIVUOIAYDU-OAHLLOKOSA-N 396.516 3.943 0 40 GHAB O=C(Nc1cccc2ncccc12)[C@H]1CS[C@]2(c3cccs3)CCC(=O)N12 3405309 CVGBSQZLOBIVGW-UZLBHIALSA-N 395.509 3.826 0 40 GHAB Cc1nc2cc(C(=O)OCC(=O)N3CCCC[C@H]3C)ccc2n1-c1ccccc1 3475120 QLVOZGKMMYLUGD-MRXNPFEDSA-N 391.471 3.892 0 40 GHAB COC[C@H](C)n1c(SCc2ccc(C(=O)OC)cc2)nc2ccccc2c1=O 3590310 GFSKEQVCUOZWFN-AWEZNQCLSA-N 398.484 3.683 0 40 GHAB COCCCn1c(SCC(=O)c2ccc(C)cc2)nc2ccccc2c1=O 4160929 DJWYXAMSUYPWBD-UHFFFAOYSA-N 382.485 3.716 0 40 GHAB COCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCSCC1)CC2 4222660 NBGFCHFUHGBJJW-FUHWJXTLSA-N 391.577 3.645 0 40 GHAB biogenic,in-vitro O=S(=O)(c1ccccc1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 4238090 SUOLKZRCFICSKL-UHFFFAOYSA-N 384.545 3.754 0 40 GHAB Cc1c(CCC(=O)NCCc2ccc(F)cc2)c(=O)oc2c(C)c(O)ccc12 4743443 XJOLGTFUXFRZRK-UHFFFAOYSA-N 383.419 3.546 0 40 GHAB Cc1c(Cl)cccc1-c1ccc(CNCCCSc2nnnn2C)o1 4993856 JRNXJAZZZGJTGC-UHFFFAOYSA-N 377.901 3.704 0 40 GHAB O=S(=O)(c1ccccc1)c1nc(/C=C/c2ccccc2)oc1N1CCOCC1 5369727 AAOYRPGBDWZNSK-VAWYXSNFSA-N 396.468 3.514 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1 5517394 XYYTZRSMIPHOCY-INIZCTEOSA-N 375.350 3.972 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 6169352 WWASZYDIIBEPKQ-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB COc1ccc2c(C)c(CC(=O)Nc3ccc(C(C)=O)cc3)c(=O)oc2c1OC 6660634 RWYHBDFLXDGFBU-UHFFFAOYSA-N 395.411 3.502 0 40 GHAB c1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)cc1 6670288 KFOIWIUCCKIXHP-UHFFFAOYSA-N 377.473 3.804 0 40 GHAB O=C([C@H]1COc2ccccc2O1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 6787132 KZVFLNAUWVSRGB-RDTXWAMCSA-N 396.468 3.648 0 40 GHAB CC(C)CCOc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 6906761 FKHKSTRPYCCDCE-UHFFFAOYSA-N 399.443 3.678 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC(C)C)cc3)CC2=O)cc1 6963007 VLSSJMFEJOCBKT-INIZCTEOSA-N 382.460 3.864 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(F)cc(F)c1 7156555 BNSBCAPKPUOFNR-UHFFFAOYSA-N 394.443 3.700 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 7708551 MFNTZPSUZYXPOR-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB CC1=C(C(=O)N(C)C)[C@H](c2cccc(F)c2)NC(=S)N1c1ccc(C)cc1 7851167 RXBVBHRECVTXLU-IBGZPJMESA-N 383.492 3.932 0 40 GHAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1Br 7882329 YDATWJJWVSEAFN-GFCCVEGCSA-N 391.240 3.888 0 40 GHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1O 7884962 DZTFQNFGUAPUSD-NRFANRHFSA-N 390.395 3.901 0 40 GHAB O=C(Cn1nnc(-c2ccsc2)n1)N[C@@H](Cc1ccccc1)c1ccccc1 8000475 CFKRHKCJENMHNJ-IBGZPJMESA-N 389.484 3.502 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nnnn2C2CC2)c2ccccc2)c1 8388631 QCNOOKFLEHHTOJ-GOSISDBHSA-N 393.472 3.683 0 40 GHAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)N[C@@H](C)c1ccccc1 8412535 YTONZMNVRKFTMO-KRWDZBQOSA-N 382.460 3.524 0 40 GHAB O=C(C1CCN(c2nccs2)CC1)N1CCC(c2nc3ccccc3o2)CC1 8772192 QVUGUINYCGSRNN-UHFFFAOYSA-N 396.516 3.907 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(Cl)ccc2Cl)c1C 9218314 RQAVIXBLZSOSFW-UHFFFAOYSA-N 384.215 3.765 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2nc(C)c3c(n2)CC(C)(C)CC3=O)cc1OC 9548116 BXHJDLBDDWEZSF-VQHVLOKHSA-N 395.459 3.609 0 40 GHAB Cc1nc(C)c(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)s1 10143944 UENQZKVLZMLQJR-UHFFFAOYSA-N 393.774 3.623 0 40 GHAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc2c(F)cc(F)cc2s1 10218368 UIHYWFKMBBSGKU-UHFFFAOYSA-N 396.440 3.767 0 40 GHAB O=C(O)c1sccc1S(=O)(=O)Nc1cccc(/C=C/c2ccccn2)c1 12560834 OEBUFAOQSILKCI-BQYQJAHWSA-N 386.454 3.813 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1 12604868 PTFPBSXVWYZXDN-IRXDYDNUSA-N 386.517 3.914 0 40 GHAB Cc1cccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1C 12608078 OLTYKKVDSOTLTI-UHFFFAOYSA-N 389.381 3.954 0 40 GHAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1 12739923 HKJMBOCLLSHEME-UHFFFAOYSA-N 387.482 3.558 0 40 GHAB Cc1ccc(-n2nnnc2S[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 12782385 ZCVBPOAFJZFMEZ-IBGZPJMESA-N 393.516 3.817 0 40 GHAB O=S(=O)(N[C@H]1CCSc2ccccc21)c1ccc(Br)cc1 12798752 NQUFHJTYAKJLEL-AWEZNQCLSA-N 384.320 3.965 0 40 GHAB COc1ccc(CN2CCCN(C(=O)c3cc4cc(C)ccc4[nH]3)CC2)cc1 12923921 RPAQAMQTULLZIX-UHFFFAOYSA-N 377.488 3.833 0 40 GHAB COc1ccc(CCS(=O)(=O)NCC2(c3cccs3)CCCC2)cc1 13804624 QXNGZQJUIGDCBQ-UHFFFAOYSA-N 379.547 3.731 0 40 GHAB CCCCCOc1ccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1 13809908 BHOCOIFKQLQWJP-CYVLTUHYSA-N 391.496 3.935 0 40 GHAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCc1ccc2c(c1)OCO2 14077171 OOTVMIDAKKKLOG-UHFFFAOYSA-N 386.354 3.598 0 40 GHAB O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)NC1CCCC1 14125221 ZHCCACYNAZQZFR-UHFFFAOYSA-N 389.499 3.631 0 40 GHAB O=C(Cc1cccs1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 14252088 YIBMJPKIUUYHEC-UHFFFAOYSA-N 398.937 3.757 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(Cl)cc1Cl 15312570 XDFCJCJCYHDDND-UHFFFAOYSA-N 387.288 3.804 0 40 GHAB CCCCCOc1ccc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1 15831573 ZXRYVNZKYAATAV-NRFANRHFSA-N 388.552 3.973 0 40 GHAB Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 16269192 BWUXPZIGRBJPLH-UHFFFAOYSA-N 382.485 3.716 0 40 GHAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)Cc2cccc(C)c2)c2ccccc21 17287477 XYLCXBPQWRLQEJ-UHFFFAOYSA-N 398.528 3.792 0 40 GHAB COC(=O)C[C@H](c1ccc(OC)cc1)[C@@H](CC(=O)OC)c1ccc(OC)cc1 18029267 IGCAIHLXNHWPFM-BGYRXZFFSA-N 386.444 3.697 0 40 GHAB CC(=O)c1ccc(N/C=C2/C(=O)N(c3nccs3)C(=O)c3ccccc32)cc1 18175485 IXZDTWLLIIACRJ-LDADJPATSA-N 389.436 3.986 0 40 GHAB O=C(c1cc(-c2cccs2)no1)N1CCCN(Cc2cccc(F)c2)CC1 19293853 KSIWOWZGBLUETE-UHFFFAOYSA-N 385.464 3.890 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)CCCNC(=O)c1cc2cccc(F)c2[nH]1 19498258 IHIREBZYJCYDIB-AWEZNQCLSA-N 379.435 3.795 0 40 GHAB COc1cccc(CN2C(=O)COc3ccc(C(=O)c4cccs4)cc32)c1 19565525 KLJWDXYCBXPIFU-UHFFFAOYSA-N 379.437 3.913 0 40 GHAB COc1ccccc1CCCNc1cc(Cn2nnc3ccccc32)nc(C)n1 19655821 UVZQXHHBTCHNRU-UHFFFAOYSA-N 388.475 3.631 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)N(C)CCC4)[nH]n2)c(OC)c1 19716296 ODGZIQVRBQPRLG-UHFFFAOYSA-N 392.459 3.729 0 40 GHAB CCN1CCN(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 19842925 VWTXTUJMEXEMAE-UHFFFAOYSA-N 394.544 3.848 0 40 GHAB Cc1ccccc1[C@@H]1CC(=O)c2cnc3nc(N4CCCCC4)[nH]c(=O)c3c2C1 19973986 ZUQVZBBLVOYJKC-HNNXBMFYSA-N 388.471 3.530 0 40 GHAB CC[C@H](C(=O)Nc1cc(OC)cc(OC)c1)n1nc(-c2ccccc2)ccc1=O 20095664 JVTBDCASTMKUCF-HXUWFJFHSA-N 393.443 3.517 0 40 GHAB COc1ccc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)cc1 20768138 NCVJFKNSGRMUMS-UHFFFAOYSA-N 391.452 3.992 0 40 GHAB O=C(Nc1ccccc1SCc1cc(=O)n2ccsc2n1)c1ccco1 20983171 ZYDKICYQKZUQEM-UHFFFAOYSA-N 383.454 3.894 0 40 GHAB O[C@@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 22408807 JLFDEKIBQJZANC-JOCHJYFZSA-N 399.898 3.762 0 40 GHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(C(=O)N(C)C)c1 22509656 CHTPXWDXBIHFCW-GFCCVEGCSA-N 391.265 3.557 0 40 GHAB CCOc1ccc(-c2cc3c(SCC(=O)OC)nccn3n2)cc1Cl 23126594 JUOKCXCRWXKQAH-UHFFFAOYSA-N 377.853 3.714 0 40 GHAB COc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1Br 25658269 LQVDEPXMRWHMAQ-GFCCVEGCSA-N 384.295 3.540 0 40 GHAB Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3)N(C)C)cc(=O)c2cc1Cl 28289583 MOUOXBHOHDCBEW-KRWDZBQOSA-N 384.863 3.788 0 40 GHAB Cc1ccccc1-n1ncc(C(=O)NCCc2cn3ccccc3n2)c1C1CC1 29783911 HUPIXTDZFSIYKK-UHFFFAOYSA-N 385.471 3.678 0 40 GHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1cccc(Oc2ccccc2)c1 32362440 HLNAYTBODROKHQ-UHFFFAOYSA-N 375.384 3.547 0 40 GHAB Cc1ccc2nc(-c3cn[nH]c3)c(C)c(C(=O)N(C)CCCN3CCCC3)c2c1 32581863 PSUGMHNPWYUKAR-UHFFFAOYSA-N 391.519 3.800 0 40 GHAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1 32899128 MTJSWPYZOLJZPH-KGLIPLIRSA-N 376.403 3.799 0 40 GHAB COc1ccc(OCCOC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 32936227 GVFKVSVFOKHKSM-ROUUACIJSA-N 399.487 3.540 0 40 GHAB CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)C1(C)C 35092914 YPUZNAKLWQCVIE-UFYCRDLUSA-N 389.561 3.749 0 40 GHAB COc1cccc(-c2cc(C(=O)NCc3ccccc3)c3c(C)nn(C)c3n2)c1 36616562 BYZWLTSMPPWPQP-UHFFFAOYSA-N 386.455 3.882 0 40 GHAB COc1ccc(-c2csc(-c3nnn(-c4cc(F)ccc4F)c3N)n2)cc1 38486704 ULCMFIFIFGYBKJ-UHFFFAOYSA-N 385.399 3.927 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 40104392 UQVUTZKUWSFYBN-OAHLLOKOSA-N 376.464 3.818 0 40 GHAB O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N1CCC(c2nc3ccccc3o2)CC1 40144638 ATIZTWJCXRIPPK-FQEVSTJZSA-N 393.418 3.866 0 40 GHAB Cc1nn(C)c(C)c1C(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 56019364 VTTHERXJNJAUBG-UHFFFAOYSA-N 379.508 3.912 0 40 GHAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O 57525967 SCJQNJQEBHXPKW-UHFFFAOYSA-N 399.878 3.501 0 40 GHAB COc1cccc(C(=O)CN2CCC3(CC2)CC(=O)c2cc(C)ccc2O3)c1 57823019 KAPWSXYSPYMXMD-UHFFFAOYSA-N 379.456 3.686 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)NCc2ccc(N3CCCC3)nc2)cc1 58016181 VVVNMSOMEDFUKL-UHFFFAOYSA-N 382.464 3.570 0 40 GHAB C[C@@H](NCc1nc(CNC(=O)c2ccccc2)no1)C12CC3CC(CC(C3)C1)C2 58177876 WRIBVFFCKFBQJB-LRYXAPPNSA-N 394.519 3.694 0 40 GHAB Cn1nc2c(c1NC(=O)Cn1ccc3ccc(Br)cc31)CSC2 61717765 VZPVVSZHLQFIQV-UHFFFAOYSA-N 391.294 3.523 0 40 GHAB COC(=O)Nc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 67206098 SAHCQKARIVGALD-HNNXBMFYSA-N 377.441 3.593 0 40 GHAB Cc1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c2c(C)nn(C)c2n1 71282872 VQMQSRYLBSYARE-UHFFFAOYSA-N 381.867 3.692 0 40 GHAB Cc1cnn(-c2ccc(C(=O)N3CCC(O)(c4ccccc4C)CC3)cc2)c1 72301399 RGSZRTZFWOMRPE-UHFFFAOYSA-N 375.472 3.613 0 40 GHAB CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C)cc(OC)c1O 72304791 HVRZBDYZRDENLJ-IBGZPJMESA-N 382.504 3.693 0 40 GHAB COc1cccc(-c2cccc([C@@H]3CCCN(C4CCN(C(C)=O)CC4)C3)n2)c1 72350194 CRDMEEBHLQTGJH-HXUWFJFHSA-N 393.531 3.948 0 40 GHAB CCCC(=O)N1CCN(CCC)C(=O)[C@@H]1Cc1cccc(-c2ccncc2)c1 72351697 JGHYJOSBEVNJJF-NRFANRHFSA-N 379.504 3.541 0 40 GHAB COc1cccc(CN2C[C@@H](N(C)C)[C@H](c3cn(C)c4ccc(OC)cc34)C2)c1 72395533 FFTSGMGDTKLFPY-LADGPHEKSA-N 393.531 3.725 0 40 GHAB O=C(/C=C/c1cccs1)NCc1nn(C2CCCC2)c(=O)c2ccccc12 90504273 SSXAGPHDTBCWAN-VAWYXSNFSA-N 379.485 3.903 0 40 GHAB COc1ccc(SC)c(OC)c1C(=O)NCc1cccc(Cn2ccnc2)c1 95462903 KWPXDQHSSRHMOE-UHFFFAOYSA-N 397.500 3.601 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099870 YIZMGWMMMLRDMT-UHFFFAOYSA-N 387.505 3.902 0 40 GHAB CCCN(CC)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1S(C)(=O)=O 96146389 KSHSJCYKVMYJHD-UHFFFAOYSA-N 389.521 3.857 0 40 GHAB C[C@@H](C(=O)OC1c2ccccc2-c2ccccc21)N1C(=O)[C@H]2CCCC[C@H]2C1=O 103060247 HIAGTSFPMOTBDR-PNHOKKKMSA-N 389.451 3.863 0 40 GHAB CC[C@@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 107735221 YXVDUHMJCISMEW-OAHLLOKOSA-N 394.924 3.758 0 40 GHAB CCCCC(C)(C)[C@H](O)/C=C\[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 195780967 YMRWVEHSLXJOCD-WYXOVGFPSA-N 382.541 3.679 0 40 GHAB O=C([C@H]1Cc2ccccc2CN1Cc1ccc(O)cc1)N1CCc2ccccc2C1 199411050 BQZLFFMTQQMIAZ-RUZDIDTESA-N 398.506 3.904 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 222478343 VXWYGUMLILJMNO-SFHVURJKSA-N 384.545 3.782 0 40 GHAB O=C(NCC1=CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 224027372 SWGBDNHRLDSWKI-UHFFFAOYSA-N 396.940 3.745 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)ccc21 224073009 KMBDIOJVSZCFPH-UHFFFAOYSA-N 378.881 3.748 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C 224667543 GDNYEWAZYDFDKH-IBGZPJMESA-N 382.504 3.626 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCCC2)cc(N2C[C@H](C)C[C@@H](C)C2)n1 225891027 JSTSXDBSEVRJBD-HZPDHXFCSA-N 390.601 3.502 0 40 GHAB CC(=O)N[C@@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C2CCCCC2)CC1 257215358 CPSZZXCUBOXVFI-JFIYKMOQSA-N 377.554 3.823 0 40 GHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)n1 257330177 XNFDYKGRCVUATF-IYARVYRRSA-N 387.487 3.946 0 40 GHAB CC(C)(C)OC(=O)N1CCNC2(C1)CN(C(c1ccccc1)c1ccccc1)C2 306145303 AZNOHZITQDKTGW-UHFFFAOYSA-N 393.531 3.671 0 40 GHAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)c1cc(Br)cs1 390827768 KAHOKYBVOVQGGI-HNNXBMFYSA-N 398.303 3.831 0 40 GHAB Cc1ccc(C(=O)N2CCN([C@H](CCC(=O)O)c3ccc(C)cc3)CC2)cc1 408613608 YTBJHOZMQDUIBA-OAQYLSRUSA-N 380.488 3.667 0 40 GHAB O=C(Nc1nncs1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408979156 PGJMNGQSMWHSNC-UHFFFAOYSA-N 387.428 3.724 0 40 GHAB CSc1cccc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 409411227 UZEPTWFDKMQHQF-OAHLLOKOSA-N 392.546 3.819 0 40 GHAB O=C(N1CC2(C[C@H](OCc3ccncc3)CS2)C1)C12CC3CC(CC(C3)C1)C2 575403713 MZLQGKQVNSADBK-QPCUBCJCSA-N 398.572 3.901 0 40 GHAB O=C([C@H](c1ccccc1)N1CCO[C@H](c2ccccc2F)C1)N1CCCCC1 589598854 IZLZVDSGABIASR-VXKWHMMOSA-N 382.479 3.953 0 40 GHAB C[C@H](NC(=O)c1c(F)ccc(C(F)(F)F)c1Br)c1csnn1 627760629 DCMXZQDHHWDPKA-YFKPBYRVSA-N 398.179 3.950 0 40 GHAB C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(C(F)(F)F)cnc1O 635597151 CSDSOCHLEZGKSM-AWEZNQCLSA-N 393.409 3.543 0 40 GHAB O=C(CCc1ccccc1)c1cn(C2(c3ccc(F)cc3)CCOCC2)nn1 656437337 NVNINOWVHYGDFJ-UHFFFAOYSA-N 379.435 3.787 0 40 GHAB CCc1nc(S(=O)(=O)Nc2ncccc2-c2ccccc2)cn1CC1CC1 663299608 ODLVENAZKZCHSQ-UHFFFAOYSA-N 382.489 3.718 0 40 GHAB Cc1ccc(CC2CN(C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)C2)cc1 666854273 VZUUIJHMQFBSPD-UHFFFAOYSA-N 392.908 3.758 0 40 GHAB COc1ccc([C@H](Cc2ccccc2)NC(=O)N2CCC(O)(C3CC3)CC2)cc1 685939001 GKICJZBBRZVJIU-QFIPXVFZSA-N 394.515 3.926 0 40 GHAB Cc1ccc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cc1C 1615130807 QLPKTMJWWMDRGR-HSZRJFAPSA-N 382.479 3.841 0 40 GHAB C=CC(=O)N(CC)CC(=O)N1CCCc2cc(N3CCCC[C@@H]3CC)ccc21 1632647385 MTISVBMLYVIOGB-IBGZPJMESA-N 383.536 3.769 0 40 GHAB Cc1nocc1NC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 1658486390 ZQRMUROTUXGURC-UHFFFAOYSA-N 375.381 3.599 0 40 GHAB CN(Cc1ccccn1)[C@H]1CO[C@]2(CCCN(C(=O)c3cccc(Cl)c3)C2)C1 2055837515 XYLCRIIJIKJPPF-IFMALSPDSA-N 399.922 3.631 0 40 GHAB Nc1cc(N)nc(SCc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1 1085559 DFDZBDQPOZZYSE-UHFFFAOYSA-N 385.880 3.839 0 40 GHAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc2ccccc2c1 1853400 TZPNLFRVXWQHIM-UHFFFAOYSA-N 391.423 3.993 0 40 GHAB O=S(=O)(c1ccc(Br)cc1)c1snnc1-c1ccccc1 3111150 CFXKILGZFDHRKV-UHFFFAOYSA-N 381.276 3.800 0 40 GHAB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NCc1ccco1 3259933 XJMMRDHDBJGQPQ-UHFFFAOYSA-N 397.814 3.637 0 40 GHAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2F)CC1 3305722 VRORCWGPQSBJNU-UHFFFAOYSA-N 389.279 3.643 0 40 GHAB COc1ccc(-c2nc(NC(=O)Cn3c(=O)oc4ccccc43)sc2C)cc1 3451093 ZMZZZULXZOVEQE-UHFFFAOYSA-N 395.440 3.674 0 40 GHAB aggregator COc1ccc(Nc2nnc(SCC(=O)NCc3ccccc3)s2)cc1 3500538 SPCFBXKEZVJCRO-UHFFFAOYSA-N 386.502 3.699 0 40 GHAB Cc1ccc(-c2cc(C(=O)OCC(=O)NCC(F)(F)F)c3ccccc3n2)o1 3510186 MVLAZZKGSSWNCU-UHFFFAOYSA-N 392.333 3.639 0 40 GHAB CC(=O)N(Cc1ccccc1Cl)Cc1cc2cccc(C)c2n2nnnc12 4878243 UDUOZRZBQSOZGN-UHFFFAOYSA-N 379.851 3.788 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)oc(=O)n3Cc2ccccc2)cc1 4913832 YGJUPCIEEKWSNX-UHFFFAOYSA-N 394.452 3.752 0 40 GHAB O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(Br)cc1F 5015196 WVRIOVVZDLKDRW-UHFFFAOYSA-N 395.253 3.993 0 40 GHAB O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)NCc2cccs2)c1 5944421 KXGNXAZZKOOSCW-UHFFFAOYSA-N 390.461 3.618 0 40 GHAB CCCCOc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1 6397738 FQACFBMAKFVQBI-UHFFFAOYSA-N 379.460 3.644 0 40 GHAB CCCCCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 6596992 FXAIMDLCMXLDIH-UHFFFAOYSA-N 388.533 3.805 0 40 GHAB CCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(C)cc1 6721097 XNJAQAHXKITDBS-QZTJIDSGSA-N 393.516 3.539 0 40 GHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)c1 6887169 JORLQRNTDVHWFT-VOTSOKGWSA-N 395.242 3.901 0 40 GHAB CC1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)CC1 7260652 FLZDLNAACWVWCA-ZDUSSCGKSA-N 378.929 3.875 0 40 GHAB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2ccccn2)o1 7365834 AUNUDSRDOSPGMN-UHFFFAOYSA-N 390.852 3.736 0 40 GHAB Cc1ccccc1-c1noc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)n1 7381627 KUKQRCGDXFPYOF-GFCCVEGCSA-N 392.484 3.990 0 40 GHAB Cc1ccc2nc(COC(=O)CCCc3nc4ccccc4s3)cc(=O)n2c1 7426165 MUPDKSVKNCRTAR-UHFFFAOYSA-N 393.468 3.679 0 40 GHAB Cc1ccc(OCCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 7598529 GNXDGALUCPLYJS-UHFFFAOYSA-N 379.460 3.591 0 40 GHAB O=C(O)CCc1ccccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 7813871 IKTFSQWPSKHEBL-UHFFFAOYSA-N 375.229 3.778 0 40 GHAB O=C(NCC(F)(F)F)c1cc(Cl)cc(Cl)c1I 7814496 UBZWNRQSKORWKJ-UHFFFAOYSA-N 397.949 3.890 0 40 GHAB Cc1ccc2c(c1)CCCN2[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C 7906433 NTZNLJGKPMEXAS-GOSISDBHSA-N 379.504 3.508 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N(C)Cc2ccc(C)cc2C)cc1 7920933 KBIFJBLLHHEXJD-IBGZPJMESA-N 381.520 3.529 0 40 GHAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccnn2C2CCCC2)c1 8026208 RUTBJCHBLOBNRL-UHFFFAOYSA-N 396.520 3.927 0 40 GHAB COc1ccc(C)cc1[C@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 8128589 PQPKJFLIYXQQLW-LBPRGKRZSA-N 395.286 3.918 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)CCCc2c[nH]c3ccccc23)c1 8294526 SMWJFAXQHDTSCB-UHFFFAOYSA-N 379.460 3.596 0 40 GHAB CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 8325108 FTUXYGHIIILKQQ-NRFANRHFSA-N 399.878 3.753 0 40 GHAB Cc1ccc(Sc2ccc(NC(=O)CN(CC(N)=O)C(C)C)cc2)cc1C 8532775 GASLCRVNRJVSQN-UHFFFAOYSA-N 385.533 3.589 0 40 GHAB COc1ccc2c(c1)c(C(=O)O[C@H](C(N)=O)c1ccccc1)c(C)n2C1CC1 10571806 NNDGUJUDYWCXFA-FQEVSTJZSA-N 378.428 3.677 0 40 GHAB COc1ccc(-c2cc(CC(=O)Nc3ccc(N(C)C)cc3)no2)cc1OC 12634135 TVYWBMUJKPKXND-UHFFFAOYSA-N 381.432 3.606 0 40 GHAB Cc1ccc(CCC2CCN(C(=O)CNC(=O)c3cccc(C)c3)CC2)cc1 12790675 JTCIGPOIXOKWLH-UHFFFAOYSA-N 378.516 3.905 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2occc2-c2ccccc2)cc1 12801787 UVSHVKQIDUYRAU-UHFFFAOYSA-N 384.457 3.886 0 40 GHAB COc1cc(CN(C)Cn2c(=O)oc3cc(Cl)ccc32)ccc1OC(F)F 12852763 JHYSEHQLRBQESM-UHFFFAOYSA-N 398.793 3.947 0 40 GHAB CCc1sc(C2=N/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)O2)cc1C 12875692 NBPTXLDZQCEAQW-MDWZMJQESA-N 387.457 3.989 0 40 GHAB Cc1cc(-c2csc(NC3CCCC3)n2)c(C)n1[C@H]1CCS(=O)(=O)C1 12910089 GAMJBDWHWUTNRO-HNNXBMFYSA-N 379.551 3.943 0 40 GHAB Cc1c(Cl)cccc1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 12925136 PHTCTGOJLPHENJ-UHFFFAOYSA-N 376.247 3.933 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C[C@@H](O)COc1ccc2ccccc2c1 12933164 JKJDKPINHYXBNS-OAQYLSRUSA-N 392.499 3.767 0 40 GHAB O=C1COc2cc(C(=O)N3CCc4sccc4[C@H]3c3ccccc3)ccc2N1 12978211 FUYOITHKPLPDHN-OAQYLSRUSA-N 390.464 3.867 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3)C2)s1 13012476 ODUSYHRJWNRFMM-CYBMUJFWSA-N 398.937 3.749 0 40 GHAB CC[C@H](C)[C@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(=O)OC 13550253 CJJUBXQHWLHSMO-GUYCJALGSA-N 389.521 3.773 0 40 GHAB O=c1n(Cc2ccccc2)c2sc3c(c2c2nc(-c4ccncc4)nn12)CCC3 13728313 IBITUDNOMMVYQM-UHFFFAOYSA-N 399.479 3.705 0 40 GHAB CCOC(=O)c1cc(NC(=O)c2cn(C)c3ccccc23)cc(C(=O)OCC)c1 14889485 LHOYCRODHNSITQ-UHFFFAOYSA-N 394.427 3.784 0 40 GHAB COCc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)o1 16198060 FBZWRELUSMRFMV-SNVBAGLBSA-N 385.388 3.925 0 40 GHAB CCc1sc(C(=O)OCc2nc(N)nc(Nc3ccc(F)cc3)n2)cc1C 16664126 RVTCNIGYVIZKKL-UHFFFAOYSA-N 387.440 3.626 0 40 GHAB NCCn1nc([C@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)c2cccnc21 19346710 FVIISZHQVTXGCO-AWEZNQCLSA-N 390.318 3.686 0 40 GHAB O=S(=O)(c1ccccc1)N1CCCC[C@H]1c1nnc(-c2cccs2)o1 19373650 NCCNURVOOCONEN-AWEZNQCLSA-N 375.475 3.714 0 40 GHAB CCCn1ncc2ccc([C@@H]3CCCN(CC(=O)Nc4ccccc4F)C3)nc21 19743650 SVWDBHCRZKPFSS-QGZVFWFLSA-N 395.482 3.799 0 40 GHAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(c4cccc(Cl)c4)CC3)c2c1 20731924 XQQWYWYFSJVSCM-FQEVSTJZSA-N 399.878 3.778 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)C1 21330372 IEZATKTWBBOUFY-KRWDZBQOSA-N 386.517 3.771 0 40 GHAB C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 22002096 GPUHIZZLXCJWQH-GFCCVEGCSA-N 381.350 3.733 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1C 22331440 HBLHWXWGSRRQRJ-HNNXBMFYSA-N 394.924 3.600 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)N(C)[C@@H]2CCCc3ccccc32)CC1=O 24761582 TXNLNUXQHHXEDI-IEBWSBKVSA-N 378.472 3.584 0 40 GHAB CCCCN(C)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C 24925589 YEHLNFOIWOWWHD-UHFFFAOYSA-N 378.469 3.807 0 40 GHAB COc1cc2c(cc1OC)CN(Cc1cc(=O)oc3cc(C)c(C)cc13)CC2 25266352 AHVFVMSKSIBYIN-UHFFFAOYSA-N 379.456 3.985 0 40 GHAB COCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 25335457 LPTDPBXBTBOYER-UHFFFAOYSA-N 396.468 3.886 0 40 GHAB O=C(CCN1CCC(C(=O)c2ccccc2)CC1)NCc1ccccc1Cl 25946921 XLPIWNMGWQEQBU-UHFFFAOYSA-N 384.907 3.941 0 40 GHAB Cc1nc(CCNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)cs1 30707245 YHWZNHYANNHEHP-UHFFFAOYSA-N 375.494 3.919 0 40 GHAB CCC1CCC(N(C(=O)CCN2C(=O)NC3(CCCCC3)C2=O)C2CC2)CC1 32796997 SYHQESYCMVQETO-UHFFFAOYSA-N 389.540 3.591 0 40 GHAB Cc1oc(-c2cccs2)nc1COc1ccccc1C(=O)N1CCOCC1 32893191 HMJZCRMMHZFTIW-UHFFFAOYSA-N 384.457 3.763 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3nc(-c4ccco4)cs3)CC2=O)cc1F 32931482 VMJHKAGSWRAFMV-GFCCVEGCSA-N 385.420 3.842 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCCO3)c2c(C)cc(=O)oc2c1 36353967 VISJFCQGCAARCX-UHFFFAOYSA-N 395.411 3.589 0 40 GHAB Cc1ccc(-n2nnc(C(=O)NCc3cccs3)c2-c2ccncc2)cc1C 38651777 ZYRKHGPOMNMMDC-UHFFFAOYSA-N 389.484 3.938 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCCN(C)Cc1ccccc1 40013052 WKKCSLDWKGDGKJ-UHFFFAOYSA-N 390.531 3.670 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 40114708 NNUCXPFXJNNZJT-GFCCVEGCSA-N 385.518 3.880 0 40 GHAB COc1cc(F)ccc1-c1ccc(=O)n(Cc2ccc(Br)cc2)n1 40268055 MMHHRBBTNLTTEG-UHFFFAOYSA-N 389.224 3.869 0 40 GHAB COc1cc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccc(F)cc4)c32)ccc1O 40288438 WLZNFEXISJNKNK-AWEZNQCLSA-N 396.374 3.503 0 40 GHAB CCCCc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40313149 SFDQZEFOQWBESK-JOCHJYFZSA-N 377.444 3.809 0 40 GHAB biogenic Cc1cc(OCC(=O)Nc2ccc(Cl)cc2F)nc(N2CCC[C@@H](C)C2)n1 44168436 JEKWWKXDACABRL-GFCCVEGCSA-N 392.862 3.831 0 40 GHAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2Br)cc1S(C)(=O)=O 44313885 DXLXRNKVHNDAPU-LBPRGKRZSA-N 396.306 3.652 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(-n2nnnc2C)c1 45689311 BTRKXRGMPFPYJK-UHFFFAOYSA-N 376.873 3.740 0 40 GHAB CC(C)(C)OC(=O)NC1CCN(C(=O)CCSc2ccc(F)cc2)CC1 47533326 QPEIDZHATBHXPX-UHFFFAOYSA-N 382.501 3.824 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1ccccc1-n1cccn1 48150950 TULBHJMFEAQODZ-UHFFFAOYSA-N 386.459 3.781 0 40 GHAB COc1cccc(-n2nnc(C(=O)NCc3ccccc3C)c2-c2cccnc2)c1 49003647 IRUIJHNLKLVONX-UHFFFAOYSA-N 399.454 3.576 0 40 GHAB Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H]1CCCc2c1cnn2C(C)(C)C 58417439 PRZGJJMNKGUTRM-OAHLLOKOSA-N 379.455 3.583 0 40 GHAB CC(C)(C)c1ccc(OCCCC(=O)N2CCN(c3ccncc3)CC2)cc1 61210240 PSHNMIFMWKVSDJ-UHFFFAOYSA-N 381.520 3.887 0 40 GHAB COc1ccc2[nH]cc(C3CCN(C[C@@H](O)COc4ccccc4F)CC3)c2c1 65511947 WMIRVEBPGCIFDU-QGZVFWFLSA-N 398.478 3.935 0 40 GHAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1C 67298452 XLGCENIRIRHRGL-VWOFGYOZSA-N 392.455 3.896 0 40 GHAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cc3sc(N(C)C)nc3s2)[C@@H]1C 69951454 BGAATJCVERMHRA-IJLUTSLNSA-N 395.550 3.522 0 40 GHAB CC(C)c1ccc(NC(=O)CN(C)C2CCN(CCc3ccccn3)CC2)cc1 72308300 BFAZXVWZMRJBFP-UHFFFAOYSA-N 394.563 3.782 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H](c3cncc(Oc4cccc(F)c4)n3)C2)cn1 72362504 XSZSLGZLUIYHQJ-OAHLLOKOSA-N 393.422 3.526 0 40 GHAB Nc1c(Cl)cc(-c2nn3c(C(F)(F)F)nnc3s2)cc1Br 73634331 HEPPLXDEUFIQCZ-UHFFFAOYSA-N 398.595 3.870 0 40 GHAB O=C(COc1ccc(Cl)cc1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 77197784 SEIXQUCGCIJJCH-JTQLQIEISA-N 389.761 3.527 0 40 GHAB CCNC(=O)NCc1ccc(NC(=O)Cc2cn(CC)c3ccccc23)cc1 78902750 NALQUPJCAMIEEA-UHFFFAOYSA-N 378.476 3.662 0 40 GHAB COc1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccco3)C2)c1 89469775 YMBHOKBNTJGXFY-LJQANCHMSA-N 382.441 3.828 0 40 GHAB Cc1[nH]c2ccc(C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)cc2c1C 89499494 CSHHPSLZHQESNK-UHFFFAOYSA-N 383.473 3.577 0 40 GHAB CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)OC)cc1 89950283 WWQMKGPGADHZKV-HNNXBMFYSA-N 379.457 3.887 0 40 GHAB O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NC1CCCCCC1 95475726 UXCRSCIWQZZELD-UHFFFAOYSA-N 375.472 3.903 0 40 GHAB COc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C(=O)C3CC3)CC4)[nH]c2c1 96103627 FSGPYGCYGFOYSH-UHFFFAOYSA-N 389.455 3.724 0 40 GHAB CCc1ccc(NC(=O)N2CCc3nc(N4CCCC4)nc(C)c3CC2)cc1 96254693 QNUREJROXADXAQ-UHFFFAOYSA-N 379.508 3.580 0 40 GHAB COc1cccc2c(C)c(C(=O)N3[C@@H]4CC[C@@H]3CC(O)(c3ccncc3)C4)[nH]c12 100722930 RUWBGYUTRLRGFG-IAGOWNOFSA-N 391.471 3.535 0 40 GHAB COc1ccc2c(C(=O)CN3CCN(c4cccc(C)c4)[C@H](C)C3)c[nH]c2c1 102756576 MDDRJWIFXNOPNQ-QGZVFWFLSA-N 377.488 3.878 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2C3)cc1S(=O)(=O)N1CCCCCC1 195530878 SECMOGOIAKHRPE-ZHALLVOQSA-N 388.533 3.710 0 40 GHAB O=C(O)[C@@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@@]1(n1ncc(Nc2ccccc2)c(Cl)c1=O)C3 217540231 NJFDYXSROPTPFM-DYFZLXJPSA-N 399.878 3.876 0 40 GHAB Cc1ccc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 223130146 SWSKFALDUFIDSQ-LJQANCHMSA-N 396.531 3.748 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 224518951 SXDOOAJIIXGZEJ-OAQYLSRUSA-N 382.504 3.571 0 40 GHAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 224739034 HUAXACQZUVSUBF-KRWDZBQOSA-N 398.569 3.574 0 40 GHAB COC(=O)c1ccc(NC(=O)c2ccc(C)cc2I)cc1 225011085 HAWOMQGRHRBLDC-UHFFFAOYSA-N 395.196 3.639 0 40 GHAB Cc1ccc(O[C@H](Cc2ccc(I)cc2)C(=O)O)cc1 225067624 HJFXQSQPPRCQLT-OAHLLOKOSA-N 382.197 3.674 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCc2ccccc2-n2ccnc2C)c1 225450708 PESNEXWTPPXPOS-UHFFFAOYSA-N 394.500 3.844 0 40 GHAB CCOC1(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)CCCCC1 225708826 CAZIDFBYVRQUAE-UHFFFAOYSA-N 388.508 3.756 0 40 GHAB COc1c2ccc(C(=O)NCc3cccnc3-c3cccs3)cc2nn1C 225760378 HYCOFANUGTWSGE-UHFFFAOYSA-N 378.457 3.635 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1ccc(=O)c2cc(Br)ccc21 225918862 SJODWXQGGHRJAD-CYBMUJFWSA-N 397.272 3.742 0 40 GHAB COc1cc2c(cc1Oc1c(O)c(OC)cc3c1[C@H](C)NCC3)[C@@H](C)N(C)CC2 245241158 YEMKSFIYOHUWLM-UONOGXRCSA-N 398.503 3.957 0 40 GHAB Cc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3O2)o1 257207280 BHBTVKSATJLZAR-OIBKDOCCSA-N 394.471 3.549 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 257213623 CIJKRHRYJALARW-YDHSSHFGSA-N 397.494 3.563 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)/C=C/c3ccccc3)C2)ncn1 257287888 PRWRZOZIVLESGP-SGQUHAKNSA-N 388.471 3.853 0 40 GHAB Cc1c[nH]nc1[C@@]1(C)CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCO1 257288605 PUWVTTBFBLRDRB-HSZRJFAPSA-N 391.471 3.831 0 40 GHAB NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C2CCC2)CC1 257324453 WOTAGJLOEPUVCD-UHFFFAOYSA-N 376.500 3.790 0 40 GHAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2CN(Cc3cccs3)C[C@@H]21 306129650 IJABNFHYUIHZCY-ICSRJNTNSA-N 382.510 3.565 0 40 GHAB O=C(c1ccccc1F)N1CC[C@@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306131010 JUUKOALZXQLQKQ-JOCHJYFZSA-N 395.409 3.643 0 40 GHAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 408584400 PJQDYLUGEUQRFO-UHFFFAOYSA-N 375.494 3.882 0 40 GHAB O=C(NC[C@@H](OCCO)c1ccsc1)NC(c1ccccc1)c1ccccc1 575621674 QSMHNFSOXVRQBC-HXUWFJFHSA-N 396.512 3.887 0 40 GHAB Cc1cc(Cl)c(NC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1Cl 578115423 HWNHFIDHWAXUEY-MRXNPFEDSA-N 391.320 3.734 0 40 GHAB Cn1cccc(C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)c1=O 585113665 HPBKRDNWAJQHQQ-LJQANCHMSA-N 394.393 3.521 0 40 GHAB Cc1cc(O[C@@H]2CCN(C(=O)Nc3ccccc3C(F)(F)F)C2)nc(C)n1 585147453 PWTLZXDJULFJAT-CYBMUJFWSA-N 380.370 3.797 0 40 GHAB Cn1c2ccc(F)cc2c2c(C(=O)N3CCCC3)cn(-c3ccccc3)c(=O)c21 602639 QQWHWWDIFGNCLV-UHFFFAOYSA-N 389.430 3.858 0 40 GHAB O=C(Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1F 960092 PLONMQSPRIMZKZ-UHFFFAOYSA-N 389.382 3.884 0 40 GHAB CCC(=O)Nc1cccc(NC(=O)CSc2nnc(C(C)C)n2CC)c1 1364190 CDFSZIMAEYXRGZ-UHFFFAOYSA-N 375.498 3.501 0 40 GHAB CCOC(=O)c1oc2cc(OC)c(CC)cc2c(=O)c1-c1ccc2c(c1)OCO2 1463784 BRLRGABMAFSOOD-UHFFFAOYSA-N 396.395 3.936 0 40 GHAB biogenic O=S(c1cc(Br)ccc1O)c1cc(Br)ccc1O 1868544 ZCOYXFAPPXRXMJ-UHFFFAOYSA-N 392.068 3.790 0 40 GHAB CCCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 2107695 VCMISQJOXUCMEQ-QGZVFWFLSA-N 399.443 3.848 0 40 GHAB biogenic O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(Br)cc1 3262234 SXRNWABKQSCKCG-UHFFFAOYSA-N 385.217 3.793 0 40 GHAB O=C(COC(=O)c1ccc2ncsc2c1)Nc1ccc(OC(F)(F)F)cc1 3479347 MEQRJRXVWHIQOK-UHFFFAOYSA-N 396.346 3.990 0 40 GHAB CC(=O)Nc1ccc(CNC(=S)Nc2ccc(Br)cc2)cc1 4139671 NNVMYUALYWKKDN-UHFFFAOYSA-N 378.295 3.894 0 40 GHAB O=C1CC2(CCN(C(=O)c3ccc(Br)o3)CC2)Oc2ccccc21 4505633 NZMOXKHWRYFCSC-UHFFFAOYSA-N 390.233 3.682 0 40 GHAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1cc(OC)ccc1OC 4679275 PMSAFLXRKOPMJB-UHFFFAOYSA-N 385.439 3.965 0 40 GHAB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3cccs3)C[C@@H]21 4980619 MDBVKRFCJFDREM-KRWDZBQOSA-N 397.500 3.639 0 40 GHAB CSc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 5120376 UCVZARWXTSQDOM-UHFFFAOYSA-N 386.336 3.992 0 40 GHAB CC(=O)OCCN1C(=O)c2cccc3c(NCc4ccccc4)ccc(c23)C1=O 5227058 RWCRXWSPSAOTHZ-UHFFFAOYSA-N 388.423 3.611 0 40 GHAB Cc1ccc(CC(=O)N2CCN(c3nc4c(F)cccc4s3)CC2)c(C)c1 5268221 BWTUAOSXYFBIJA-UHFFFAOYSA-N 383.492 3.944 0 40 GHAB COc1cc2cc(C(=O)Nc3ccc4c(c3)N3CCN=C3S4)[nH]c2cc1OC 5348234 HJEBYZGHGOXUNO-UHFFFAOYSA-N 394.456 3.719 0 40 GHAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H]1CCCc2ccccc21 5430495 KQWCIMAABISHGH-IBGZPJMESA-N 392.528 3.692 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc2c(n1)[nH]c1c(C)ccc(C)c12 5489314 KJELCAUVDRYBDZ-UHFFFAOYSA-N 393.472 3.862 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1cccc2ccccc12 5746722 FOORBWQZMUNBTN-UHFFFAOYSA-N 388.876 3.898 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nncn1-c1ccccc1F 6129394 SRFVLLVUMSHJBF-HNNXBMFYSA-N 384.480 3.636 0 40 GHAB CC(C)(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1 6615704 HLLKCLLARZDENW-IBGZPJMESA-N 377.440 3.628 0 40 GHAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 6630667 JJEUJARGCCSVKF-LSTHTHJFSA-N 381.428 3.894 0 40 GHAB CCCCc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 6654161 VGMBVPDCKGMASD-CQSZACIVSA-N 394.924 3.988 0 40 GHAB Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccs2)cc1 6959491 ITDXVMQVYDRFNR-UHFFFAOYSA-N 384.530 3.816 0 40 GHAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCc2ccccc2)cc1OC 7005469 FPXJHZYDSNWBIQ-UHFFFAOYSA-N 381.384 3.906 0 40 GHAB CCC(=O)N(c1nnc(S[C@H](C)C(=O)c2ccc(OC)cc2)s1)C1CC1 7673022 KHMWEZBMWVFWRQ-LLVKDONJSA-N 391.518 3.816 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)NCCSc2ccccc2)o1 7825555 NONOODROLZIDOK-UHFFFAOYSA-N 375.475 3.639 0 40 GHAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2ccccc2O)CC1 7951864 CQCRVQXXGNHLRJ-UHFFFAOYSA-N 386.451 3.979 0 40 GHAB C[C@H]1Cc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2N1S(C)(=O)=O 7986822 HMCFHKXIHKFEOC-NSHDSACASA-N 398.406 3.668 0 40 GHAB COc1cc(S(=O)(=O)NCCSCc2ccccc2Cl)ccc1F 8041129 WKWDEXCYTSIRDI-UHFFFAOYSA-N 389.901 3.699 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1(c2ccccc2)CCC1 8113477 VNMNFJLHMCQLRR-UHFFFAOYSA-N 398.528 3.922 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)COc2ccc(Cl)c(C)c2)c1C 8140903 DFHOKVHAWHIQHP-UHFFFAOYSA-N 377.824 3.601 0 40 GHAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2c(C)cccc2C)cc1 8415228 YKQDNKURWSMOOL-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3nc4ccccc4s3)cc2O1 8997431 DOKHYQMMKMDVCT-UHFFFAOYSA-N 398.440 3.763 0 40 GHAB CCCOc1ccccc1NCC(=O)Nc1cc(C(=O)OC)ccc1Cl 9220435 CZWSCWPHILGNNP-UHFFFAOYSA-N 376.840 3.966 0 40 GHAB Cc1cc(C(=O)N2CCc3ccccc32)ccc1NS(=O)(=O)c1ccccc1 10113025 GEJNQMWUBSOXST-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB O=C(Nc1ccccn1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 10274585 WUBGBCFAPAFLAM-UHFFFAOYSA-N 393.896 3.552 0 40 GHAB O=C(/N=c1/[nH]c2ccccc2s1)c1cc(=O)c(OCc2ccccc2)co1 11856588 QAJBBYCKTOTESO-UHFFFAOYSA-N 378.409 3.503 0 40 GHAB COc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)c(C)s1 11904328 HOXVILNUCHHGGI-UHFFFAOYSA-N 395.440 3.710 0 40 GHAB Cc1ccc(C2=NO[C@H](CC3(C(=O)NCc4ccc(C)o4)CCOCC3)C2)cc1 12157078 XDCYXDUYUBFSOR-FQEVSTJZSA-N 396.487 3.893 0 40 GHAB CC(=O)c1cnc2c(C(=O)NCc3cc(C)cc4c(C)c(C)[nH]c34)cnn2c1C 12203548 GJVLLZBOBXCWEP-UHFFFAOYSA-N 389.459 3.577 0 40 GHAB C[C@@H](NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1Cl 12284503 XTMXYLYLPIFSMT-SJORKVTESA-N 399.922 3.868 0 40 GHAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(-n3cccn3)cc2)CC1 12344415 MTVYEMUHYHOENI-UHFFFAOYSA-N 392.478 3.639 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccncc3)cc2)cc1C 12536151 VFJZLKDPLGESKT-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CN(C)Cc1ccccc1N1CCOCC1 12608701 CPJUFDQMSKGYDD-UHFFFAOYSA-N 387.911 3.556 0 40 GHAB COc1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc(OC)c1OC 12819196 OJXXQBRKSLUYKX-UHFFFAOYSA-N 381.432 3.767 0 40 GHAB O=C(NCCc1cccc(Cl)c1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12912006 CAEYENFEJXOWGP-KRWDZBQOSA-N 388.870 3.690 0 40 GHAB Cc1ccccc1OCCCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 13005378 YHGFLQOLTVXOEG-UHFFFAOYSA-N 394.515 3.709 0 40 GHAB COC(=O)[C@@H](CC(C)C)N[C@H]1C(C)=C(C)C(=O)N1CCc1ccc(Cl)cc1 13940315 ZMYHLEYCEOMCQH-RTBURBONSA-N 392.927 3.565 0 40 GHAB Cc1ccc(CNC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)cc1 16842270 KFHCXTWOBHBXLN-UHFFFAOYSA-N 395.459 3.684 0 40 GHAB C[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(-n2ccnc2)cc1 18049127 UTQYGKAMPZTGNC-IFXJQAMLSA-N 392.484 3.553 0 40 GHAB COc1cc(CNc2ncc(-c3cc(C)no3)c([C@@H]3CCCO3)n2)cc(OC)c1 19122695 JWWXXTPMUJXQHX-SFHVURJKSA-N 396.447 3.921 0 40 GHAB Cc1csc2c(=O)n3c(nc12)CCN(Cc1c(F)cccc1Cl)CC3 19240293 QHIKLRDXTNRISW-UHFFFAOYSA-N 377.872 3.617 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1ccoc1CN1CCCCC1)c1ccc(F)cc1 19291220 GPXOXFUFCWVVGW-HXUWFJFHSA-N 396.466 3.658 0 40 GHAB O=C(N[C@@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1)c1cccc(F)c1 19369282 VRJXNRLVLOGZCR-IBGZPJMESA-N 377.419 3.500 0 40 GHAB CC(C)Oc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 19450650 VDTIVCSCWFHBPE-JOCHJYFZSA-N 380.536 3.979 0 40 GHAB Cc1cc(C)n(Cc2c(C(=O)N3CCC[C@H](Cc4ccccc4)C3)noc2C)n1 19574317 PCHBPHVSSHLQST-HXUWFJFHSA-N 392.503 3.940 0 40 GHAB CN1CCN(C(=O)C2CCC2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19589466 JSPIXJOTTAZVRW-IBGZPJMESA-N 382.529 3.675 0 40 GHAB O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1 19817645 PGFNXNMYXXWHBJ-HXUWFJFHSA-N 397.438 3.548 0 40 GHAB O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 20110723 APYVUFIBUPLUBE-MDWZMJQESA-N 379.441 3.534 0 40 GHAB CCOc1ccc(NC(=O)CNc2ccc3c(c2)OC(F)(F)O3)cc1OCC 21700267 WDMVUOAIIRPVSZ-UHFFFAOYSA-N 394.374 3.856 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 23042053 HHYDBWVTPCJBSG-HXUWFJFHSA-N 379.481 3.804 0 40 GHAB COc1ccc(-c2csc(NC(=O)CN3C[C@H](C)C[C@@H](C)C3)n2)c(OC)c1 23054862 ZUAVLIJIFIXPQA-ZIAGYGMSSA-N 389.521 3.744 0 40 GHAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O 24346641 XHYBDPVTTJKMHD-HXUWFJFHSA-N 383.354 3.587 0 40 GHAB CCc1nn2c(=O)cc(CN(C)Cc3cccc(Cl)c3Cl)nc2s1 24816477 IKPFLVRZNWHCQL-UHFFFAOYSA-N 383.304 3.652 0 40 GHAB COc1ccc(-c2nsc(NC(=O)COc3c(C)cccc3C)n2)cc1OC 27793605 YRFNPKZGNSZQNE-UHFFFAOYSA-N 399.472 3.857 0 40 GHAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 27793950 IOTFKDYHWYOVQS-KRWDZBQOSA-N 381.403 3.754 0 40 GHAB CC(C)c1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2N2C(=O)CSC2=O)cc1 28284093 REOTXWRPBBFBFK-PQGVJJGYSA-N 386.517 3.946 0 40 GHAB CN(C)C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccc1 29954013 DWOUWZOKQCHETI-HXUWFJFHSA-N 392.478 3.533 0 40 GHAB CCN(CC(C)C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 31377648 DVRZCAYQLPZYCJ-UHFFFAOYSA-N 386.517 3.556 0 40 GHAB CCOC(=O)CCC(=O)Nc1cnc(C)n1-c1nc(-c2ccc(C)cc2)cs1 32616174 WZAJODKTLAKADB-UHFFFAOYSA-N 398.488 3.894 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)O[C@H](C)C(=O)N(C)c3ccccc3)o2)cc1 32777470 NHASPYHNSGCAHK-MRXNPFEDSA-N 393.443 3.572 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)Nc1c2c(nn1-c1ccccc1)CCC2 32859970 RMRAGSGCXBNHPT-UHFFFAOYSA-N 375.428 3.661 0 40 GHAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COc1cc(Cl)ccc1Cl 32900504 WJKDTQNRQZBXHW-CQDKDKBSSA-N 386.275 3.705 0 40 GHAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(N2CCOCC2)cn1 32924490 JYDGXEMBWOFRNE-GFCCVEGCSA-N 396.274 3.631 0 40 GHAB Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 33249328 OKXKMOBGGMYHQA-UHFFFAOYSA-N 398.459 3.751 0 40 GHAB CCOCC(=O)Nc1cc(-c2nc(-c3ccc(OCC)cc3)cs2)nn1C 35683028 FKQPSLKGODXGCS-UHFFFAOYSA-N 386.477 3.584 0 40 GHAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1cnn(Cc2ccc(Cl)cc2Cl)c1 36613009 CIGHPEZOBMIUNR-QFBVAWSSSA-N 388.254 3.550 0 40 GHAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c12 36614229 SHCCKCMZSVFVNK-NSHDSACASA-N 393.422 3.870 0 40 GHAB Cc1cccc(Cn2nc(C)c(NC(=O)c3cc(C)nc4c3cnn4C)c2C)c1 36616576 WFXYOQZFBDYTRJ-UHFFFAOYSA-N 388.475 3.699 0 40 GHAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)c(OC)c1 36635658 JEGMTTDTOFCEPP-CQSZACIVSA-N 395.242 3.755 0 40 GHAB O=C(NCc1nnc2ccccn12)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 39975763 RPSQQSSGHHOFOU-ISVJADKWSA-N 386.499 3.884 0 40 GHAB CC(C)(C)c1nc(CN(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cs1 40088718 LIZHWMXPUPMVCJ-CQSZACIVSA-N 384.592 3.691 0 40 GHAB Cc1c(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)c(=O)n(-c2ccccc2)n1C 40094936 ALCIQMOHZKDPEF-GFCCVEGCSA-N 386.402 3.645 0 40 GHAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 40153890 QZCNRVRKAXRSIZ-SCLBCKFNSA-N 391.562 3.606 0 40 GHAB CCn1c(=O)sc2cc(NS(=O)(=O)c3cc(Cl)ccc3OC)ccc21 46017443 GXYJWASUYRYVIK-UHFFFAOYSA-N 398.893 3.546 0 40 GHAB O=C1CSC(=O)N1Cc1cccc(C(=O)N2CCC[C@H]2c2ccsc2)c1 46911485 PVYZVKFAEACXAH-INIZCTEOSA-N 386.498 3.921 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)N1CCC(Oc2nc3ccccc3s2)CC1 49431169 MZLJFATZOHNMPZ-UHFFFAOYSA-N 396.468 3.751 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)O[C@@H](C(=O)NC3CC3)c3ccccc3)c2C)no1 49600825 NEZJZJMJFIUDNQ-HXUWFJFHSA-N 393.443 3.567 0 40 GHAB Cc1cc(NC(=O)[C@@H](Nc2ccc3c(c2)OCCCO3)c2ccccc2)no1 53780540 ZSBRNKUKGZPWJN-FQEVSTJZSA-N 379.416 3.936 0 40 GHAB COc1ccc2c(-c3ccccc3)c(C(=O)N[C@@H]3CCCCNC3=O)oc2c1 55993302 GFWLEWZUYGPHKD-QGZVFWFLSA-N 378.428 3.507 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCN1C(=O)c1cccs1 58420368 TYZLEQGCEJYDKK-OAHLLOKOSA-N 380.872 3.804 0 40 GHAB Cc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)o1 58955377 IXQMHPKGYAWPST-CYBMUJFWSA-N 380.366 3.618 0 40 GHAB COc1ccc(-c2n[nH]c3c2[C@@]2(C(=O)O)C[C@@H](N3)c3cc(Cl)ccc3O2)cc1 72332293 JGCQAXGMIDJENQ-JLTOFOAXSA-N 397.818 3.968 0 40 GHAB CCc1nnc(Nc2cccc(C3CCN(C(=O)c4cccnc4)CC3)n2)s1 72382956 LKNOUPRXCZVEEE-UHFFFAOYSA-N 394.504 3.654 0 40 GHAB O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 72401601 KQURYBOREYMFMZ-CYBMUJFWSA-N 398.875 3.850 0 40 GHAB C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)NCC1(c2ccccc2)CCOCC1 79051374 SEESZCNKHUYAAO-REWPJTCUSA-N 392.543 3.729 0 40 GHAB O=C(Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1)N[C@H]1CCS(=O)(=O)C1 84562631 ONRRJFZIKUWJNX-AWEZNQCLSA-N 398.406 3.681 0 40 GHAB COc1cc(C(=O)N2CCN(c3ccc(C)cc3)CC2)nc2c(F)cc(F)cc12 95471757 CRPIEEAHBCDNSQ-UHFFFAOYSA-N 397.425 3.792 0 40 GHAB Cc1ccc(S(=O)(=O)NCC2(Sc3ccccc3)CCOCC2)cc1C 96331167 KWWCBGWFNSPYDK-UHFFFAOYSA-N 391.558 3.923 0 40 GHAB CO[C@@]1(C)C[C@@H](NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1(C)C 97212709 ZTWKIBQRMCZURW-PXAZEXFGSA-N 383.370 3.689 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCCCCC1 103248570 MVVPWDJVQLWBTK-UHFFFAOYSA-N 387.505 3.573 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2cccc(C)c2C)cc1 113937799 XTWDKJGOIQNSKH-UHFFFAOYSA-N 388.533 3.722 0 40 GHAB O=C(CCSc1ccccc1)NCCn1ccn2nc(-c3ccco3)cc12 206750108 RVFMKDPTENVDOD-UHFFFAOYSA-N 380.473 3.694 0 40 GHAB CCC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1 217452625 GMEJPLLHCRATQB-AWEZNQCLSA-N 382.526 3.986 0 40 GHAB COC(=O)c1cn(C(=O)C2CCN(Cc3ccccc3)CC2)c2ccccc12 222624621 JGCYHDXPCNYYOJ-UHFFFAOYSA-N 376.456 3.980 0 40 GHAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 223473176 KYJZJAUJURGAPY-NRFANRHFSA-N 380.419 3.825 0 40 GHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)c(OC)c1 224823837 ZAFKSZQETZOULZ-WOJBJXKFSA-N 394.500 3.912 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 225010812 XYCGOKHPAHFTBC-GOSISDBHSA-N 382.504 3.571 0 40 GHAB CSc1ccc(S(=O)(=O)NCC2CCCCC2)cc1NC(=O)C(C)C 225205807 OYNLLWGQRBMDIB-UHFFFAOYSA-N 384.567 3.862 0 40 GHAB O=C(Cc1cccc(Br)c1)N1CCN(C/C=C/c2ccccc2)CC1 225619682 ZJOFAXKIOHAMPE-WEVVVXLNSA-N 399.332 3.849 0 40 GHAB COc1cccc(OC)c1CCC(=O)N1CCc2cc(Br)ccc21 225992989 RQPYXBFBRFKLIK-UHFFFAOYSA-N 390.277 3.988 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 244947606 DSSBOCLVBQNLDJ-VQTJNVASSA-N 386.455 3.893 0 40 GHAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CCC(=O)NCC(=O)O)ccc3O2)cc1 257315681 VCKBDQZTXDPYML-XMMPIXPASA-N 395.499 3.880 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1OCC 408588881 ZWJHJOGZVPMEDK-UHFFFAOYSA-N 382.413 3.594 0 40 GHAB CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409193108 BUGTYPXOHQUFTL-PWDRBQJJSA-N 380.444 3.965 0 40 GHAB COc1ccc(N(C)C(=O)Cc2c(C)[nH]c3ccc(Br)cc23)cn1 520165875 UNOSLBFGYMMXMH-UHFFFAOYSA-N 388.265 3.848 0 40 GHAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cc4ccccc4[nH]2)C3)cs1 575402881 DDVXFNBHIPQKPQ-QGZVFWFLSA-N 397.500 3.523 0 40 GHAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)c3ccccc3Br)C2)n1 585147448 ZQOKYNHBGDPEQK-CQSZACIVSA-N 390.281 3.540 0 40 GHAB O=C(/C=C/c1cccnc1)N1CCCC[C@@H]1c1csc(Nc2ncccn2)n1 585293181 RTFLSDKLYBFZSQ-IWAYRVGRSA-N 392.488 3.839 0 40 GHAB COc1c[nH]c(C(=O)N2CCC[C@@H]2c2ccc(OC)c3ccccc23)cc1=O 604418768 BBDCTCXDSNYBJN-GOSISDBHSA-N 378.428 3.523 0 40 GHAB Cc1ncc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)o1 628256723 JPALRBJSOPHXAP-CYBMUJFWSA-N 379.176 3.588 0 40 GHAB CC(C)CC(=O)N1CCCNCCN(C(=O)OC(C)(C)C)Cc2ccccc21 643588469 GFNWEBCUOIKLEY-UHFFFAOYSA-N 389.540 3.796 0 40 GHAB O=C1C[C@H](C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)[C@@H]2CCCC[C@H]2N1 666456820 XDNKPFJNYLOVLY-SLFFLAALSA-N 392.503 3.520 0 40 GHAB CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCc2c(cnn2-c2ccccc2)C1 667532401 LEUMGXMPUIGEIA-FDDCHVKYSA-N 391.519 3.615 0 40 GHAB Cc1noc(C)c1CCC(=O)NC[C@@H](O)c1ccc(-c2ccsc2)s1 675008193 HQFGFSZXFAKVMN-OAHLLOKOSA-N 376.503 3.864 0 40 GHAB COc1cc(Br)c(C)nc1Nc1ccc(F)c(CNC(C)=O)c1 1210889274 IDBDYCBFRRSTKM-UHFFFAOYSA-N 382.233 3.680 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NC[C@@H](O)c1ccc(-c2cccs2)o1 1775967112 FXXLZQWBIGMCRG-CQSZACIVSA-N 397.905 3.815 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC1CCN(Cc2cc(F)ccc2F)CC1 1889253731 PSUIHTIXTQWUGH-UHFFFAOYSA-N 383.442 3.895 0 40 GHAB Clc1ccc(O[C@H]2CO[C@@]3(CCCN(c4ncnc5[nH]ccc45)C3)C2)cc1 2037843339 BSXCMIPTXGMTPP-UZLBHIALSA-N 384.867 3.818 0 40 GHAB O=C(Nc1nccs1)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 711806 KDQNLLKGRWYQJW-GOSISDBHSA-N 393.468 3.845 0 40 GHAB CCc1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 791110 GEWSAIYFUXJAOF-CYBMUJFWSA-N 381.501 3.784 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Br)c2)NC(=O)N1 799807 MOIGKHBMOTYFPF-MRXNPFEDSA-N 386.249 3.716 0 40 GHAB O=C1CCCc2c1cc(C(=O)NCc1ccco1)c(=O)n2-c1ccc(Cl)cc1 809766 ZBCSKJPPKKQVPD-UHFFFAOYSA-N 396.830 3.533 0 40 GHAB CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1378105 CTFWAEUGKBSPAC-UHFFFAOYSA-N 392.455 3.547 0 40 GHAB CC(=O)c1cccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 1435535 PDOJESUGSDKSOB-UHFFFAOYSA-N 384.391 3.942 0 40 GHAB CCOC(=O)c1c(N)n(C2CC(C)(C)NC(C)(C)C2)c2nc3ccccc3nc12 2292475 MHECXTVMJIIFES-UHFFFAOYSA-N 395.507 3.825 0 40 GHAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc2c(c1)OC(F)(F)O2 2654210 LLFZRNKKMHBASL-UHFFFAOYSA-N 396.400 3.586 0 40 GHAB CCOC(=O)[C@@](NC(=O)c1ccco1)(Nc1cccc(Cl)c1)C(F)(F)F 3103580 UFCDDZQVULUUDH-HNNXBMFYSA-N 390.745 3.597 0 40 GHAB CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@H]1c1ccc(OC)cc1 3246563 CETZALDYZGSEQE-FQEVSTJZSA-N 396.512 3.964 0 40 GHAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1c(F)cccc1Cl 3327926 HHEXHJLDXRIGCY-GFCCVEGCSA-N 378.831 3.709 0 40 GHAB COc1ccc([C@H](CNC(=S)Nc2cccc(OC)c2)N2CCCC2)cc1 3339368 QTKGWSKBNPBYIJ-FQEVSTJZSA-N 385.533 3.827 0 40 GHAB CC(C)(C)c1ccc(-c2nnc(SCCNCCO)n2-c2ccccc2)cc1 3359368 CRLRKGQRFAYTEA-UHFFFAOYSA-N 396.560 3.906 0 40 GHAB CCCCN(C(=O)c1nc2nccc(C)n2n1)c1nc2ccc(C)cc2s1 3380487 ZZLNUDXLZLARHA-UHFFFAOYSA-N 380.477 3.798 0 40 GHAB CC(C)CC(=O)Nc1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1 3477125 IGBPUPHMPRQHNI-UHFFFAOYSA-N 379.416 3.983 0 40 GHAB CCOC(=O)C[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(C)cc1 3621062 ANMSNPMTPBCBGR-GOSISDBHSA-N 379.412 3.526 0 40 GHAB COCCn1nnnc1[C@@H](c1ccc(C)cc1)N1CCCC2(CCCCC2)C1 4230452 LCVFFVOYIJHOAV-HXUWFJFHSA-N 383.540 3.764 0 40 GHAB COc1cc(OC)cc(-c2nnc(NC(=O)CSc3ccc(C)cc3)o2)c1 4496494 NQWMQFMEZIJKFW-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB COc1ccc(Cc2nnc(SCc3coc(-c4cccs4)n3)n2N)cc1 4914929 ZJGDFTWHZIBANB-UHFFFAOYSA-N 399.501 3.600 0 40 GHAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccc2c(c1)OCO2 5099363 IPZLPVJVSVAMKC-UHFFFAOYSA-N 390.395 3.854 0 40 GHAB COc1ccc(OC)c(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)c1 5294286 ZXXOASBXXLBDFD-UHFFFAOYSA-N 384.215 3.633 0 40 GHAB Cc1ccc(-n2nnnc2S[C@H](C(=O)N2CCCC2)c2ccccc2)cc1C 5565454 BEOKXJALRLXFCF-IBGZPJMESA-N 393.516 3.735 0 40 GHAB O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)OCCO2 5652225 HBMFMILHZQHHIG-UHFFFAOYSA-N 381.453 3.849 0 40 GHAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1 6243284 HQRCJOBZHFTOLX-ZDUSSCGKSA-N 385.489 3.949 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)C1 6383319 XMNYTFSQARRUDT-GJZGRUSLSA-N 390.480 3.745 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cc(Cl)ccc1Cl 6517147 AQJOIUUMGWIQDV-UHFFFAOYSA-N 380.256 3.961 0 40 GHAB Cc1nc(SCC(=O)NC(=O)NC2CCCC2)n(C2CCCCC2)c1C 6657487 NUGFRBMMSSAQDT-UHFFFAOYSA-N 378.542 3.866 0 40 GHAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)OCC(C)C)C1=O 6963790 DEPVQUAMYOFSHJ-OVCLIPMQSA-N 397.880 3.974 0 40 GHAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)s1 7218320 GTQUDQSJQPJIOH-UHFFFAOYSA-N 380.716 3.985 0 40 GHAB O=C(Cn1cnc2sccc2c1=O)NCc1ccc(-c2ccc(Cl)cc2)o1 7737411 BSCKNTQOZAACTA-UHFFFAOYSA-N 399.859 3.688 0 40 GHAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(-n2cnc3ccccc32)cc1 8134606 DDEIDBBZCDCJGC-UHFFFAOYSA-N 399.450 3.769 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2ccccc2c1=O 8195336 UBNIGLIWDYGNCM-UHFFFAOYSA-N 389.427 3.816 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 8349373 AJDZTUMPMAQAFN-HNNXBMFYSA-N 384.867 3.828 0 40 GHAB CC(=O)c1cnn(-c2cc(Oc3cccc(OC(F)(F)F)c3)ncn2)c1C 8715333 LKXMDXUNDXVAPN-UHFFFAOYSA-N 378.310 3.864 0 40 GHAB COc1ccc2c(CC(=O)N[C@@H](c3ccccc3)c3nccn3C)coc2c1 9512966 FWKNFDODXCITGI-NRFANRHFSA-N 375.428 3.623 0 40 GHAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccc2nc(N3CCOCC3)sc2c1 9638830 DLFDAUOUSWAEBE-UHFFFAOYSA-N 393.512 3.803 0 40 GHAB CCn1cc(C(=O)NC2CCCCCC2)c2nn(-c3ccccc3)c(=O)c-2c1 9661412 YZGDBHHCTKKINL-UHFFFAOYSA-N 378.476 3.611 0 40 GHAB O=C(CSc1ncnc2sccc12)Nc1cccc(N2CCCC2=O)c1 9743841 OIMUFEKDWDNAIT-UHFFFAOYSA-N 384.486 3.549 0 40 GHAB COc1ccc(CNC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1 10939723 PAOOOTJBTJDZDT-UHFFFAOYSA-N 379.485 3.924 0 40 GHAB COc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2Cl)cc1C(=O)O 11691546 VPNFCDQEWFDTQI-UHFFFAOYSA-N 392.816 3.968 0 40 GHAB CCCSc1nnc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)s1 11915598 QEKIFCXFQNHRAQ-UHFFFAOYSA-N 376.463 3.956 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)on1 12118503 DBPBWAPUZBQYLJ-QGZVFWFLSA-N 394.450 3.836 0 40 GHAB Cc1cc(C)n(C[C@H](O)CN(Cc2ccc3ccccc3n2)Cc2ccco2)n1 12147981 LWANSBJSVREFDX-OAQYLSRUSA-N 390.487 3.704 0 40 GHAB O=C(c1n[nH]c2ccccc12)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 12393322 TZLXQEPOROXRGJ-UHFFFAOYSA-N 388.393 3.540 0 40 GHAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Nc2ccccc2)cc1 12526995 GSBIJJIBHPPCLX-UHFFFAOYSA-N 389.411 3.527 0 40 GHAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc1 12548633 QBQCILOWXLIVAT-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB O=S(=O)(Nc1ccc(N2CCCCCC2)cc1)c1ccc2c(c1)OCCO2 12631508 XWTBDQZSIPRDRB-UHFFFAOYSA-N 388.489 3.639 0 40 GHAB C[C@@H](Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 12640237 QXAKSBLUNMUOCS-MRXNPFEDSA-N 389.455 3.804 0 40 GHAB CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 12785117 OQBZZKXXRUJYPR-UHFFFAOYSA-N 394.496 3.785 0 40 GHAB CCOc1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)cc1OC 12993260 GEMDIMJEQCUMHG-UHFFFAOYSA-N 392.402 3.521 0 40 GHAB CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCC(C)C 13213717 BDGZUQZCLMAQFO-UDWIEESQSA-N 394.496 3.890 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2F)c1 14494433 YWLMUBAVXQVWAJ-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB CCC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1 15608709 HFKLNJCYGWJKKV-HNNXBMFYSA-N 382.460 3.825 0 40 GHAB Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 18832246 MUVPBTGSCHRRBL-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB CCc1nccn1C[C@@H](C)C(=O)N1CCC[C@H](c2nc3ccccc3cc2N)C1 19523539 TWWJUPLSOZVZBT-AEFFLSMTSA-N 391.519 3.618 0 40 GHAB COc1ccc(CN2CCc3nc([C@@H]4CCCCN4C)ncc3C2)c(C)c1C 19577390 KZBWMDKNYLFCGP-NRFANRHFSA-N 380.536 3.817 0 40 GHAB Cc1nn(C[C@@H](C)C(=O)N2CCCC[C@@H]2CCN2CCCC2)c(C)c1Cl 19578147 AFDRAOUHPXXHOV-CRAIPNDOSA-N 380.964 3.656 0 40 GHAB Cc1nc(C2CCN(C(=O)C3CCCC3)CC2)ncc1C(=O)Nc1ccccc1 19764171 LCLRDQJTZPPYFC-UHFFFAOYSA-N 392.503 3.934 0 40 GHAB COc1ccc(NC(=O)c2ccc(NCC(=O)N3CCC[C@H](C)C3)cc2)cc1 21133668 SQDLLGWGRHELKV-INIZCTEOSA-N 381.476 3.618 0 40 GHAB COC(=O)c1ccc(OC(=O)CCc2ncc(-c3ccccc3)o2)c(OC)c1 21304111 LMWOHHMAPKAUIT-UHFFFAOYSA-N 381.384 3.675 0 40 GHAB COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1OC 22088156 URUCOABIVDBPKM-UHFFFAOYSA-N 377.444 3.559 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccc2c(c1)OCO2 22907039 TVJPOGOZIOYSLV-IBGZPJMESA-N 390.439 3.538 0 40 GHAB CSCC[C@@H]1CN2CCC[C@H]2CN1Cc1cccc(-n2nc(C)cc2C)c1 22917190 GMLOSHKICAEMCB-FCHUYYIVSA-N 384.593 3.891 0 40 GHAB C[C@@H]1CCCCN1CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 23259109 OWHNABDVBUEITH-MRXNPFEDSA-N 386.517 3.927 0 40 GHAB CN(CCOc1ccc(Cl)cc1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 24493347 QZKOYCPLMCVRBH-MRXNPFEDSA-N 386.879 3.768 0 40 GHAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)N(Cc3ccccc3)C(C)C)c2C)n1 24920212 LMMPAXLZIFHRCF-UHFFFAOYSA-N 391.519 3.876 0 40 GHAB NC(=O)C1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 24925083 XLKZCCPQCLQCMV-UHFFFAOYSA-N 392.377 3.835 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)CCc2ccsc2)CC1 25920167 JHMKYHIHDAEULV-UHFFFAOYSA-N 385.485 3.573 0 40 GHAB COc1c(Cl)cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Cl 27588093 HTGZDCPLLSWSNC-UHFFFAOYSA-N 395.352 3.590 0 40 GHAB Cc1ccc(NC(=O)CSc2ccc(CCN3CCOCC3)o2)cc1Cl 27753215 VGWWLLOSFUJRER-UHFFFAOYSA-N 394.924 3.847 0 40 GHAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCN(c2ccccc2F)CC1 28295286 HZHALIXSPNDTQI-RBUKOAKNSA-N 386.511 3.901 0 40 GHAB Cc1ccc(N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 31666965 XCDBQPRZWHNLCS-HSZRJFAPSA-N 376.500 3.710 0 40 GHAB Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(F)c1 32091370 ZKQJPFOOCWFHPD-INIZCTEOSA-N 382.370 3.659 0 40 GHAB O=C1Nc2ccccc2CC[C@H]1Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3 32091650 PGIQEKHJIRAOLB-OAHLLOKOSA-N 397.525 3.909 0 40 GHAB O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)[C@H]1CC=CC[C@H]1C(=O)O 32508825 JEONZYAISDPJTI-JKSUJKDBSA-N 393.365 3.556 0 40 GHAB COc1ccccc1CNC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32578795 ACNUYDMTOFWSEN-UHFFFAOYSA-N 381.432 3.564 0 40 GHAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1cccc3nccnc13)CC(O)=N2 36360865 PURSPGKPQSUTRF-LBPRGKRZSA-N 391.822 3.691 0 40 GHAB Cc1nc(C)c(C(=O)N2CCN(c3nc4c(Cl)cccc4s3)CC2)s1 36687686 GBEHPKBEBQRZHF-UHFFFAOYSA-N 392.937 3.985 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)c3c[nH]c(=S)n3-c3ccccc3)ccc21 40024693 DJEMROAENHEXMX-UHFFFAOYSA-N 378.457 3.696 0 40 GHAB O=C(c1ccc(Cl)cc1)c1ccc(OC(=O)c2cnn3cccnc23)cc1 40057356 TWDHKFSUPKPUAI-UHFFFAOYSA-N 377.787 3.833 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 40086554 ATQKQAGZIAKLPK-HNNXBMFYSA-N 378.259 3.940 0 40 GHAB COc1cc(Cl)c(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1OC 40088134 FBXJLHQMNASQQJ-KRWDZBQOSA-N 378.787 3.628 0 40 GHAB COc1ccc(Cl)cc1CS(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 40106164 IZBSZPRZUUTUHE-KGLIPLIRSA-N 395.908 3.529 0 40 GHAB COc1ccc(CCNC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 42926934 AURHPAFLQLLFTA-UHFFFAOYSA-N 378.476 3.703 0 40 GHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccoc2)cc1 47746474 ZMADLDGZBGZWSU-UHFFFAOYSA-N 391.493 3.555 0 40 GHAB O=C(CCc1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 48333712 ICHOFKCPPKCEFA-UHFFFAOYSA-N 391.298 3.911 0 40 GHAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(c3ccc(O)cc3)CC2)CC1 55124644 QKPMHOKBXLKKCN-UHFFFAOYSA-N 388.508 3.745 0 40 GHAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1cccc(OCc2ccccn2)c1 55646931 CCMABJMAUFBWCZ-OPAMFIHVSA-N 390.439 3.678 0 40 GHAB Cc1cccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3)CC2)c1 56945378 XJADCUWKMYRISZ-QFIPXVFZSA-N 389.499 3.881 0 40 GHAB CSc1ccc(-c2noc(CN3CCN(c4ccc(F)cc4)CC3)n2)cc1 57427659 XXVJLBSUZXYQKI-UHFFFAOYSA-N 384.480 3.920 0 40 GHAB CCCNC(=O)[C@H](C)NC(=O)c1oc2ccccc2c1COc1ccccc1 57742173 DFSSZTQHSXKHQI-HNNXBMFYSA-N 380.444 3.656 0 40 GHAB COc1ccccc1-c1noc(CN2CCN(c3cccc(Cl)c3)CC2)n1 58019907 VZPZQDYRXHJYFV-UHFFFAOYSA-N 384.867 3.721 0 40 GHAB COc1ccc(CN2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1OC 61997623 NEQAHBWTUOMLIT-UHFFFAOYSA-N 393.439 3.651 0 40 GHAB biogenic COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cccc(F)c4)c32)cc1 66087881 NGUQWKIBEIDWDD-INIZCTEOSA-N 380.375 3.797 0 40 GHAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cc(C)ccc2C)c1C 71327312 UIMFFMXMWFKTMD-UHFFFAOYSA-N 391.475 3.657 0 40 GHAB C[C@H]1CN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)C[C@H](C)O1 72339465 UZNZEVGNDOYNEJ-GJZGRUSLSA-N 390.443 3.548 0 40 GHAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1nnc([C@H]2CCCO2)s1 72403429 DNPZQHTZLGSLFJ-CQSZACIVSA-N 389.868 3.696 0 40 GHAB O=C(Nc1cccnc1)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 79111499 PWKGFEWOXHQPPB-UHFFFAOYSA-N 393.418 3.972 0 40 GHAB C[C@H]1CCC[C@H](C)C12NC(=O)N(Cc1cccc(OCC(F)(F)F)c1)C2=O 95365065 IRJKWOBERMYXLW-STQMWFEESA-N 384.398 3.874 0 40 GHAB CCCCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100049933 WCUKQXBTWNWPSN-CAMMJAKZSA-N 385.460 3.885 0 40 GHAB COc1cccc(C2=C[C@H](c3cccc(Br)c3)n3nnnc3N2)c1 101098127 TYFKFWSYSLZDNX-MRXNPFEDSA-N 384.237 3.500 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C=C(c2ccccc2)Nc2nnnn21 102272135 ZSADFCBJRJSSAR-QGZVFWFLSA-N 389.850 3.877 0 40 GHAB Cc1cccc(N(CC(=O)O)S(=O)(=O)c2cc(Cl)ccc2Cl)c1C 113880889 URRYMJKDHHJEQR-UHFFFAOYSA-N 388.272 3.890 0 40 GHAB Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccc(Br)o1 217873811 UMUCFMHUXVONQI-UHFFFAOYSA-N 380.267 3.706 0 40 GHAB COc1ccccc1CCCNC(=O)COc1ccc(Br)cc1 218815991 BIDUGCYOWLBSDP-UHFFFAOYSA-N 378.266 3.586 0 40 GHAB CCCOc1ccccc1CCCNC(=O)c1cccc(CN2CCOCC2)c1 219245917 TWPRSEHZYDSEAR-UHFFFAOYSA-N 396.531 3.670 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F 222655828 NWXOMRSRKRWKKW-FQEVSTJZSA-N 388.458 3.839 0 40 GHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)n1-c1cccnc1 222822371 YOEBAWCLRCLMNT-UXHICEINSA-N 377.517 3.957 0 40 GHAB COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1OC 223327652 KOWWZVFOJHJBOP-MRXNPFEDSA-N 383.488 3.709 0 40 GHAB CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223488523 NYEKTBBBGNCULM-QHCPKHFHSA-N 390.458 3.884 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCCc3ccco3)c2)c1 223953438 DDNDBEMQMKGDGY-UHFFFAOYSA-N 398.484 3.751 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 224008549 FKWQETZDIFDIRX-CABCVRRESA-N 388.961 3.827 0 40 GHAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1ccccc1 224091490 XCIBZKIKARXZQY-UHFFFAOYSA-N 391.423 3.933 0 40 GHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1c(F)cccc1Cl 224092272 XXIUYYCZUUEMML-OAHLLOKOSA-N 390.886 3.618 0 40 GHAB Cc1cccc(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)c1Cl 225220103 PSFRBRQIJNBFLU-UHFFFAOYSA-N 375.925 3.869 0 40 GHAB CC(C)[C@@H](C)NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 225228378 SSYDMLBLWLYAFA-OAHLLOKOSA-N 392.496 3.566 0 40 GHAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 225738029 QQGICVHFLXTNCS-OAQYLSRUSA-N 376.497 3.612 0 40 GHAB COCCCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 257218822 DENNAMLQCMGUQA-UHFFFAOYSA-N 385.479 3.985 0 40 GHAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3ocnc3C)C2)o1 257338205 YWLAYUYQFBAKEG-MRXNPFEDSA-N 381.432 3.590 0 40 GHAB CC(C)CC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 408627683 NAOTWLANURLFSN-NSHDSACASA-N 395.594 3.857 0 40 GHAB O=C(O)CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O 409134193 NCOFCZGYRQWHJA-CXUHLZMHSA-N 387.388 3.526 0 40 GHAB O=C(NCCc1cccc2cccnc12)N1CCO[C@@]2(CCc3ccccc32)C1 509801261 CYYOAZGZKNNYFV-DEOSSOPVSA-N 387.483 3.661 0 40 GHAB O=C(Nc1ccc(Oc2cccnc2)cc1)N1CCC(Oc2cnccn2)CC1 570722059 YMHHHSNEPAENSM-UHFFFAOYSA-N 391.431 3.739 0 40 GHAB CN(C(=O)C[C@H]1CCCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1Cl 573807662 FGYNJWQODAGJDJ-SNVBAGLBSA-N 383.819 3.537 0 40 GHAB C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1[C@@H](C(=O)O)c1cccnc1 629379897 ZEWCUGDDRDLEQI-ISTRZQFTSA-N 375.266 3.848 0 40 GHAB CCc1nc2ccc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)cc2s1 648547574 NDJHERRTRBZDED-UHFFFAOYSA-N 383.473 3.943 0 40 GHAB CC[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(-c2nc(C)co2)ccc1C 656960121 FZXSZVPZRQFRNB-ZDUSSCGKSA-N 376.400 3.968 0 40 GHAB O=C(O)CO[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 685945091 UFOXWUUEUQVHLJ-HNNXBMFYSA-N 381.428 3.501 0 40 GHAB CCn1nc(C)c(C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)n1 855683209 BHXWZIJBABZIPI-SFHVURJKSA-N 396.413 3.742 0 40 GHAB CN(C(=O)Cn1cc(C(N)=O)c2ccccc21)[C@@H]1CCCC[C@@H]1c1ccccc1 1528612567 SJFDPFVRCJIGHV-WIYYLYMNSA-N 389.499 3.925 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615161486 YSPNEPXUMVHMRU-OALUTQOASA-N 383.467 3.891 0 40 GHAB CC(C)(C)c1ccc(OCC2CCN(c3nccc(C(F)(F)F)n3)CC2)nn1 1775965765 GQSMZPUDZNQPPB-UHFFFAOYSA-N 395.429 3.878 0 40 GHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1ccc(Cl)s1 1775966863 IRCSRMVKJDBRQO-SECBINFHSA-N 389.907 3.735 0 40 GHAB Clc1cnccc1OCC1CCN(c2ncc(Br)cn2)CC1 1889108816 XDCOOZVBTZSRPW-UHFFFAOYSA-N 383.677 3.583 0 40 GHAB CC(C)Sc1ccccc1C(=O)Nc1nc(CN2CCOCC2)cs1 70728784 QZNREMNLMPXCSL-UHFFFAOYSA-N 377.535 3.728 0 40 GHAB CCOC(=O)CSc1nnc(-c2ccccc2C)n1-c1ccccc1OC 883028 JZCOYRSKJXBJHK-UHFFFAOYSA-N 383.473 3.907 0 40 GHAB O=C(Cc1cnc(-c2ccccc2F)s1)N1CCN(c2ccc(F)cc2)CC1 12324942 VVOSBIPWVBZAOG-UHFFFAOYSA-N 399.466 3.980 0 40 GHAB Cc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@@H]2C)cc1 1467516 PVXZBZIMTQQPRG-SFHVURJKSA-N 384.487 3.839 0 40 GHAB COc1ccc(OC)c(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)c1 675734 MGXZZVNEIWHUPL-UUASQNMZSA-N 379.746 3.980 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCc1ncc(-c4ccccc4)o1)(C3)C2 22581131 VQCZRUBSKAKABT-WDXRGRCHSA-N 394.471 3.860 0 40 GHAB COc1ccc(-c2nnc(SCC(N)=O)n2-c2ccccc2C(C)C)cc1 3484214 ZLPZENDNALQSCR-UHFFFAOYSA-N 382.489 3.644 0 40 GHAB CCOC(=O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(C)C)[C@@H]3C2=O)ccc1Cl 4872363 XEDHQPKGHYCFHA-GGNLRSJOSA-N 385.847 3.775 0 40 GHAB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)c1ccccc1 7881604 LWYVXNKGCPNSOS-MAUKXSAKSA-N 385.847 3.898 0 40 GHAB CCc1sc(C(=O)OCC(=O)c2ccc(CCCNC(C)=O)cc2)cc1C 23297394 GPQHQPHEHDYCTK-UHFFFAOYSA-N 387.501 3.727 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCCc3ccccc32)c1 23693465 CKMMQFHEFIKEJZ-OAQYLSRUSA-N 380.488 3.820 0 40 GHAB Cc1cccc(NC(=O)c2c(O)n(Cc3ccccc3)c3ccccc3c2=O)n1 1297228 KJCSSWKOSKLKTR-UHFFFAOYSA-N 385.423 3.711 0 40 GHAB O=C(COCc1nc2ccccc2s1)N[C@H](Cc1ncc[nH]1)c1ccccc1 12506967 KNVLUUIMWOYDTP-QGZVFWFLSA-N 392.484 3.636 0 40 GHAB CS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1 12536117 NOPNOYIUNMSLLA-JXMROGBWSA-N 384.379 3.729 0 40 GHAB CCCCNc1nn(CN2CCN(c3ccc(F)cc3)CC2)c(=S)s1 12587368 YSKJPTKHOMAFQL-UHFFFAOYSA-N 381.546 3.805 0 40 GHAB COc1ccc(NC(=O)NCCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1 25468428 GUOOLEYXJJGLMP-CYBMUJFWSA-N 391.418 3.705 0 40 GHAB CCOC(=O)c1sc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1C 9871137 PUVJCYPVNZQOKY-CYBMUJFWSA-N 390.486 3.675 0 40 GHAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCO2 3273412 JRQRJAWARXMTDT-QPJJXVBHSA-N 393.317 3.629 0 40 GHAB CCOC(=O)C[C@@H](c1ccc(F)c(F)c1F)c1c(O)[nH]c2ccccc2c1=O 72405410 ZLZNOMFPHOZNBV-LBPRGKRZSA-N 391.345 3.736 0 40 GHAB Cc1ccc(-n2c(=O)c3ccccc3n3c(SC[C@@H]4CCCO4)nnc23)cc1 12606300 VNYOINDHSRYIGU-INIZCTEOSA-N 392.484 3.613 0 40 GHAB COc1ccccc1-c1ccccc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 48264502 QMXQKGIJQDVIAU-LJQANCHMSA-N 394.515 3.689 0 40 GHAB Cc1cc(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c2ccccc2n1 58192971 NKYFKUVKJKTSRR-UHFFFAOYSA-N 379.504 3.654 0 40 GHAB CCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Cl 21005404 NHDIFRQEYVJLRS-UHFFFAOYSA-N 385.851 3.789 0 40 GHAB O=C(Nc1nccs1)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 58405728 IQRFUDOCSBPZAJ-HUUCEWRRSA-N 389.908 3.777 0 40 GHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 10985415 FDZHDGWXNQVRQH-OLZOCXBDSA-N 399.468 3.946 0 40 GHAB CCOc1cccc(-c2nn3c(-c4ccc(OC)c(OC)c4)nnc3s2)c1 2394539 QWVANNAARRNIME-UHFFFAOYSA-N 382.445 3.936 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cccc(OC(F)F)c1 58953796 PTLLOJQBOPTYCX-GFCCVEGCSA-N 383.416 3.573 0 40 GHAB COc1ccccc1[C@H](CNC(=O)c1ccccc1OC(F)F)N1CCCC1 27572590 LYYFCEBSVAINCI-KRWDZBQOSA-N 390.430 3.864 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)cc1 28238047 ZAGCVUWJYIJKBR-NSHDSACASA-N 380.286 3.936 0 40 GHAB O=C(/C=C/c1ccc(-c2ccccc2F)s1)N1CCN(c2ncccn2)CC1 29460619 QIIROUKEMSIGAV-VQHVLOKHSA-N 394.475 3.706 0 40 GHAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)c2ccc(C)cc2)CC1=O 408657442 UDZYWYFQRMQKOP-HXUWFJFHSA-N 393.483 3.899 0 40 GHAB Cc1ccc(Cl)c(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1Cl 3595898 QEMOAFORLOKXGF-ADLMAVQZSA-N 398.290 3.741 0 40 GHAB Nc1c(C(=O)N2CCc3ccccc3C2)sc2nc3c(cc12)N1CCC3CC1 12961062 CBESOUFNOXLILI-UHFFFAOYSA-N 390.512 3.774 0 40 GHAB O=C(NCc1nnc2ccccn12)c1ccccc1OCc1ccc(Cl)cc1 13005417 DJGCTJANLOVGCR-UHFFFAOYSA-N 392.846 3.892 0 40 GHAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC 408697527 KDOLVANNZQFZJA-UHFFFAOYSA-N 396.896 3.598 0 40 GHAB COc1ccc2ccccc2c1[S@@](=O)N1CCN(c2ccccc2F)CC1 4053418 ASILHESPXNWXGS-MHZLTWQESA-N 384.476 3.832 0 40 GHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(-c2cccs2)on1 9051878 MAMXDYDWVDCJJP-UHFFFAOYSA-N 399.472 3.635 0 40 GHAB O=C(NCc1ccco1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 5002204 CQNYPNKBRVFWQM-FQEVSTJZSA-N 382.441 3.577 0 40 GHAB O=c1[nH]c2ccccc2n1C1CCN(Cc2coc(-c3cccs3)n2)CC1 14022950 OEZACOYLERZJDA-UHFFFAOYSA-N 380.473 3.883 0 40 GHAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)NCc1ccc2c(c1)OCO2 6402893 CJTCSZJMWWAJGG-UHFFFAOYSA-N 399.450 3.672 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(F)cc3)C(=O)[C@@H]2C1 408681398 JGZARESEVFCGGX-FUHWJXTLSA-N 378.403 3.924 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1F 4735644 YAHUQYRJYZLUHF-IBGZPJMESA-N 381.407 3.654 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2sc(N(C)c3ccccc3)nc2C)CC1 22245396 BOZVODGMLYMFKX-UHFFFAOYSA-N 387.505 3.635 0 40 GHAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1C 4736285 ZJIGTYNOSBAAOG-UHFFFAOYSA-N 386.452 3.669 0 40 GHAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1nc2ccccc2s1 5635600 LNDUSXRSVCUYEW-UHFFFAOYSA-N 392.436 3.909 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccccc1)S2 6812285 AVATXUXWTYNTNW-ZWKOTPCHSA-N 397.479 3.768 0 40 GHAB CCOc1ccc(NC(=O)CSc2nc3ccccc3c3nc(C)nn23)cc1 6918740 FXFLPGAUBJOFJN-UHFFFAOYSA-N 393.472 3.715 0 40 GHAB Cn1cc(CNC[C@H](O)c2ccc(F)c(F)c2)c(-c2cc3ccccc3o2)n1 67185835 SINSUYJNXQJHIL-SFHVURJKSA-N 383.398 3.935 0 40 GHAB Cc1ccccc1[C@@H]1CN(C(=O)Nc2cccc(-n3ccnn3)c2)[C@H](C)CO1 96013216 ZGRRDPVAGMFMHA-UZLBHIALSA-N 377.448 3.570 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 15735110 SAQJOPYBEIVSOI-UHFFFAOYSA-N 385.489 3.596 0 40 GHAB O=C(CSCc1ccccc1Br)NCCSc1ccccn1 408875779 HQRLNJOJLWWJMI-UHFFFAOYSA-N 397.363 3.986 0 40 GHAB C[C@@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 9367053 JNMSKOUQRFVSCJ-CQSZACIVSA-N 381.457 3.779 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1cccc2ncccc12 7735210 FWJFGHFAOILIDN-UHFFFAOYSA-N 376.412 3.998 0 40 GHAB O=C(CSc1nc2sccc2c(=O)n1-c1ccccc1)N1CCCCCC1 7783457 JNQYSWRBUGZJEV-UHFFFAOYSA-N 399.541 3.942 0 40 GHAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1F 7990405 VUHIXHDXSFLTMM-UHFFFAOYSA-N 390.480 3.951 0 40 GHAB CCN(CC)C(=S)SCC(=O)N(C)Cc1ccccc1Br 70013764 IXVHJXIZJIZAKJ-UHFFFAOYSA-N 389.384 3.767 0 40 GHAB CCNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 8328560 TYSVUOUGMZLFJW-UHFFFAOYSA-N 391.493 3.651 0 40 GHAB CCCN(CC(=O)Nc1cc(C)on1)CC(=O)Nc1ccc(Cl)cc1Cl 8744565 RGINUBMPQHVLOX-UHFFFAOYSA-N 399.278 3.579 0 40 GHAB COc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1F 9862457 UEWVHJJNPHMTSI-UHFFFAOYSA-N 375.421 3.818 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1 9904002 VYMSIXUHHLGXKT-UHFFFAOYSA-N 395.503 3.701 0 40 GHAB Cc1nc(COc2ccc(C(=O)NC[C@H]3CCCN3CC(C)C)cc2)cs1 89712499 KCQUIJVPDXRJII-LJQANCHMSA-N 387.549 3.881 0 40 GHAB Cc1ccccc1N(CC(=O)N[C@H](CC(C)C)c1ccccc1)S(C)(=O)=O 20038617 AOFAMCSMWMVUAD-LJQANCHMSA-N 388.533 3.665 0 40 GHAB Cc1cc(C)c(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 22380335 DBZPHWWQIBXEIR-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB CC1CCN([C@@H](CNC(=O)Cn2cnc3ccccc32)c2ccccc2)CC1 512074823 VDKWQTOOLXNQBW-QFIPXVFZSA-N 376.504 3.626 0 40 GHAB CC(C)CN(C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CC1 512835183 UDVLDLZBUQLQDC-INIZCTEOSA-N 399.413 3.521 0 40 GHAB CC(C)c1nccn1-c1cncc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72355350 QKKWYNMKTUUXGG-LJQANCHMSA-N 389.503 3.734 0 40 GHAB O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(F)cc1Br 31314949 FENNZPURWBCUNY-UHFFFAOYSA-N 378.245 3.513 0 40 GHAB COC(=O)c1ccc(NC(=O)CSCCOc2ccc(Cl)cc2)cc1 31730734 DKYBYSYXQRBFGV-UHFFFAOYSA-N 379.865 3.877 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 30896795 GHYDANPZSFAABY-UHFFFAOYSA-N 393.487 3.543 0 40 GHAB O=C(Cc1cccc2ccccc12)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38725972 QYAKSBAZODUTRA-RPWUZVMVSA-N 398.506 3.857 0 40 GHAB COc1cc(CN(C)Cn2nnc3ccccc3c2=S)ccc1OC(F)F 48340412 KNUQYULYGQMPAK-UHFFFAOYSA-N 392.431 3.860 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(Cl)c1 223680148 URFWJJRFTMHURO-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2ncnn21 40486501 IRHKFKWXOSPTJW-HXUWFJFHSA-N 389.459 3.913 0 40 GHAB CC[C@@H](NC(=O)COc1ccccc1C(C)C)c1ccc(S(C)(=O)=O)cc1 222813638 PDKMMPOQMBFTHV-LJQANCHMSA-N 389.517 3.860 0 40 GHAB COc1ccc(-c2noc(C(=O)N3CCc4ccccc4C3)c2[C@H](C)O)cc1 225429435 LCDFRJLNLWCRQP-AWEZNQCLSA-N 378.428 3.602 0 40 GHAB biogenic,in-vitro COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCC2CCCCC2)cc1 225206669 KDICPRIUZUUBNL-ZHZULCJRSA-N 382.460 3.756 0 40 GHAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)N1CCN(c2ccccc2)CC1 41184872 LMLQSSQPIQFQLR-UHFFFAOYSA-N 396.878 3.671 0 40 GHAB COc1ccccc1C(=O)Oc1ccccc1-c1cc2n(c(=O)n1)CCCCC2 226820207 KQNBWAMUPDMFIL-UHFFFAOYSA-N 390.439 3.865 0 40 GHAB O=C([C@H]1COc2ccccc2O1)N(CCc1cccs1)Cc1cccnc1 77183797 XGTLXIOINDCGLP-HXUWFJFHSA-N 380.469 3.554 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 225354530 QRNBKVMHRSUBQY-UHFFFAOYSA-N 380.897 3.552 0 40 GHAB Cc1ccccc1CSCCNC(=S)Nc1ccc(C(=O)N(C)C)cc1 225362782 YWOUSVDSKGCKLN-UHFFFAOYSA-N 387.574 3.917 0 40 GHAB CC(=O)c1csc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)n1 44361006 JHLSGWWOMLOGLM-SNVBAGLBSA-N 383.267 3.823 0 40 GHAB COc1ccc2oc(C)c(C(=O)NCc3ccc(OC)c(OC)c3OC)c2c1 44982934 VVKFKCQJBSNWAQ-UHFFFAOYSA-N 385.416 3.706 0 40 GHAB O=S(=O)(Cc1ccc(Br)cc1)Nc1ccc(N2CCCC2)cc1 224917579 IKRUEPFDIFPVRW-UHFFFAOYSA-N 395.322 3.991 0 40 GHAB CN(C)[C@H](CNC(=O)C1(c2ccc(Br)cc2)CC1)c1ccsc1 25332082 BUEBKHWXWJOFCW-MRXNPFEDSA-N 393.350 3.961 0 40 GHAB C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(C(=O)c2cccc(O)n2)C1 257288757 PVMHTDBLMIEMNO-JOCHJYFZSA-N 395.434 3.699 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257235502 GYDCMAVFYBEFTG-SFHVURJKSA-N 381.407 3.785 0 40 GHAB CS(=O)(=O)c1ccc(OCCN[C@@H]2CCc3cc(F)c(Cl)cc32)cc1 527857460 BMPCVVVGYNOUMA-GOSISDBHSA-N 383.872 3.539 0 40 GHAB CC[C@@H](CN(C)C(=O)c1ccnc2ccnn12)Oc1ccc(Cl)c(Cl)c1 626626552 QCTLKNNNAFPKLL-LBPRGKRZSA-N 393.274 3.966 0 40 GHAB Cc1cccc(COc2c(C)cc(CN3CCC(OCC(N)=O)CC3)cc2C)c1 1116445120 MBZFNWQHPZYBLU-UHFFFAOYSA-N 396.531 3.657 0 40 GHAB O=C(NCc1ccc2cncn2c1)C1(c2cccc(OC(F)(F)F)c2)CCC1 653875890 BNBTZQCTTHHSEO-UHFFFAOYSA-N 389.377 3.971 0 40 GHAB COCC1(C2CCC2)CN(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)C1 664208873 ANACNORFYICFNZ-APWZRJJASA-N 391.581 3.589 0 40 GHAB O=C(NC[C@@]1(CCO)CCOC1)c1ccccc1-c1ncc(-c2ccccc2)o1 84563076 TVBMOIRVNJDIBO-HSZRJFAPSA-N 392.455 3.528 0 40 GHAB Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1CCc1cccs1 5427045 WNGSWKLLBFEFKB-UHFFFAOYSA-N 378.548 3.818 0 40 GHAB Cc1cccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C[C@@H]2C)c1 5636901 RVGFQERIAXVHRB-AWEZNQCLSA-N 382.888 3.687 0 40 GHAB COc1ccc(-c2cc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)n(C)n2)cc1 12200914 VREUGROLSVHQGV-SFHVURJKSA-N 383.835 3.691 0 40 GHAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n1 12201132 VADSETSVKSMJKB-PXAZEXFGSA-N 383.835 3.879 0 40 GHAB O=C(CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)NCc1ccccc1F 12823042 ZVCOGAACKMNYKN-JXMROGBWSA-N 386.427 3.662 0 40 GHAB CCCCN1C(=O)N[C@@H](c2ccccc2OC(F)F)C(C(=O)OCC)=C1C 13062850 ANUZJVWVUIBMBR-INIZCTEOSA-N 382.407 3.992 0 40 GHAB CCOc1ccccc1OS(=O)(=O)c1cc(Br)ccc1OC 16094083 CVUCVBQTKCRUNO-UHFFFAOYSA-N 387.251 3.624 0 40 GHAB Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1[C@@H](O)CC(C)(C)C2 16740232 KYVZKVLCZIDQHJ-KRWDZBQOSA-N 386.467 3.695 0 40 GHAB CCOc1cc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ncccc3C)C2)ccc1OC 19531885 HJVXNVKZYOFZAC-YYDVJCTNSA-N 382.504 3.527 0 40 GHAB COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4cccc(C)c4)C[C@H]23)c1 19235050 PFQKDSOZZYBRJD-WXFUMESZSA-N 378.516 3.840 0 40 GHAB COCC(=O)N1CCc2sccc2[C@H]1c1ccc(NCc2cccnc2)cc1 19592943 NVLNGCFKTMFJEO-JOCHJYFZSA-N 393.512 3.876 0 40 GHAB C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1)c1cccs1 257330268 XNQGIJNWUJOFKG-YJOYFUPRSA-N 395.528 3.913 0 40 GHAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccc(C(F)(F)F)nc1 575615264 CSQICLDYXJTZFQ-UHFFFAOYSA-N 390.312 3.706 0 40 GHAB Cc1cc(C)cc(NC(=O)COc2ccc(I)cc2)c1 5050535 VXLNHSSXYIVLJZ-UHFFFAOYSA-N 381.213 3.926 0 40 GHAB O=C(CSCC(=O)Nc1ccccc1Br)Nc1ccc(F)cc1 5606909 ADKGPMXHROUXIZ-UHFFFAOYSA-N 397.269 3.899 0 40 GHAB O=C(CCCc1nc2ccccc2s1)OCC(=O)N1CCc2ccccc2C1 6141088 VAMZYCUITPQOFL-UHFFFAOYSA-N 394.496 3.747 0 40 GHAB FC(F)(F)c1ccc(N2C[C@H]3CN(c4nc5cnccc5s4)C[C@H]3C2)nc1 1888897636 IEAZHTXIVFCAJW-TXEJJXNPSA-N 391.422 3.678 0 40 GHAB Cc1noc(C)c1-c1ccc(CNS(=O)(=O)c2cccc(Cl)c2C)o1 1889227616 MYOMUSKPLXTUMX-UHFFFAOYSA-N 380.853 3.992 0 40 GHAB Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccco1 22867914 RZQPNRUUMZNXPR-UHFFFAOYSA-N 379.460 3.835 0 40 GHAB CC(=O)N1CCN(Cc2csc(C)n2)C[C@@H](Cc2ccc3ncccc3c2)C1 2037846429 REKDAEMCEWJXCU-LJQANCHMSA-N 394.544 3.523 0 40 GHAB Nc1nc(COC(=O)/C=C/c2ccsc2)nc(Nc2ccc(Cl)cc2)n1 22019382 MLGMSTCYVYHPST-LZCJLJQNSA-N 387.852 3.669 0 40 GHAB CCOc1cccc2cc(C(N)=O)/c(=N/c3ccccc3Br)oc12 2087180119 GXWBVLINFGLRLC-UZYVYHOESA-N 387.233 3.925 0 40 GHAB Cc1cc(C(F)(F)F)nn1CC(=O)N(C)c1ccc(OC(F)(F)F)cc1 1073196 XNFBRQWMSQQPCX-UHFFFAOYSA-N 381.276 3.772 0 40 GHAB COc1ccc(-c2cnc(SCCNC(=O)c3c(F)cccc3F)[nH]2)cc1 4315466 MYEWXTVHPMNEHS-UHFFFAOYSA-N 389.427 3.886 0 40 GHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1 5014707 MNXFXCHVFPPZHG-UHFFFAOYSA-N 379.353 3.889 0 40 GHAB COc1cc(NC(=O)NC[C@H]2CCCN2c2ccccc2)cc(OC)c1OC 211119445 OAMRHALOXJOJPP-QGZVFWFLSA-N 385.464 3.503 0 40 GHAB Cc1ccc(/C=C/S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cc1 217823011 CJHVOXRRTQRNOG-JICACKBISA-N 387.505 3.511 0 40 GHAB Cn1nccc1-c1cncc(CNC(=O)Nc2ccccc2C(F)(F)F)c1 575617212 UMGRICFEPOONGV-UHFFFAOYSA-N 375.354 3.823 0 40 GHAB COC1CCN(c2ccc(C(=O)NCc3cncc(-c4ccoc4)c3)cc2)CC1 575619972 IGDMNYLGWCJGCO-UHFFFAOYSA-N 391.471 3.887 0 40 GHAB COc1ccc(C(=O)NC[C@@](O)(c2ccsc2)c2cccs2)cc1F 245171830 XWZYKUQRHSWTNF-GOSISDBHSA-N 377.462 3.623 0 40 GHAB Cc1ccc(CNC(=O)c2nnc(CN(C)[C@@H]3CCc4ccccc43)s2)cc1 89633215 XNTIHIKSOPQMPR-LJQANCHMSA-N 392.528 3.896 0 40 GHAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccc(OC2CCCC2)cc1 32769607 YQMVIKJENIJRDV-UHFFFAOYSA-N 380.444 3.762 0 40 GHAB CN(CCCNC(=O)N(C)Cc1nc2ccccc2s1)Cc1ccccc1 40069014 KVXSHUZPYXLTLA-UHFFFAOYSA-N 382.533 3.960 0 40 GHAB CCOc1ccccc1C(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 30881667 HLOXMKYSUCMEBI-UHFFFAOYSA-N 380.488 3.807 0 40 GHAB COC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(Br)o3)c2c1 31819326 KCTBURZNPVZGAN-UHFFFAOYSA-N 389.205 3.938 0 40 GHAB O=C(N[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)OCC1c2ccccc2-c2ccccc21 100981692 CGUNSQHMOYCPJU-FJAKRLOMSA-N 375.424 3.800 0 40 GHAB COc1ccc(F)cc1CN1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 32422522 WJWFVZLLXWZMCV-UHFFFAOYSA-N 381.451 3.582 0 40 GHAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCO[C@@H](c2ccc(F)cc2)C1 32771272 YDORQSCMCACFMQ-MRXNPFEDSA-N 390.263 3.895 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(N3CCCC3)cc2C)c1 32976426 ZCTHRVROPDGLMQ-UHFFFAOYSA-N 394.475 3.764 0 40 GHAB CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 102758943 MBEIPAAIJONRMZ-QHAWAJNXSA-N 388.423 3.893 0 40 GHAB Cc1nc(Cl)sc1C(=O)Nc1ccc(I)cc1 632506 WVPXNPFVJFRVOL-UHFFFAOYSA-N 378.622 3.962 0 40 GHAB COc1ccccc1C(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 783794 WRNSGPLDDLWOCF-DEOSSOPVSA-N 387.435 3.703 0 40 GHAB CCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccc(OC)cc1 874094 GYSCONQCXFCMFQ-UHFFFAOYSA-N 375.494 3.942 0 40 GHAB COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3OC)cn2)c1 1352980 WWAYCFXZOUTVGI-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB COc1ccc([C@H]2CC(=O)c3cnc(NCc4ccco4)nc3C2)cc1OC 2108478 VGCBLUWOJDCVCC-CQSZACIVSA-N 379.416 3.612 0 40 GHAB biogenic COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCCC(C)(C)C1 2297615 NSZXJNQXCZVSNZ-UHFFFAOYSA-N 377.872 3.668 0 40 GHAB CCN(CC)CCCN/C=C1\C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21 2365520 LEWHXJWJVLMFNO-XLNRJJMWSA-N 391.515 3.844 0 40 GHAB COc1cc(-c2nnc3sc(Cc4cccs4)nn23)cc(OC)c1OC 2388591 KNNJGUFHLIOFKT-UHFFFAOYSA-N 388.474 3.531 0 40 GHAB C[C@@H]1CCc2c(sc3ncn4nc(-c5ccc(Cn6cccn6)o5)nc4c23)C1 2789576 QZWCHHZDNPBZBN-GFCCVEGCSA-N 390.472 3.969 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cccnc1)CC2 3230487 MTQBCEDNOCNJJH-FQEVSTJZSA-N 380.469 3.948 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc2oc(Nc3ccc(OC)cc3)nc2c1 3253212 DNHWJRGMILYRDW-UHFFFAOYSA-N 375.450 3.611 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cccc(C(F)(F)F)c1 3351455 WLSHDNARCGHQAC-AWEZNQCLSA-N 379.378 4.000 0 40 GHAB Cc1nc2cc(C(=O)OCC(=O)NCCC(C)C)ccc2n1-c1ccccc1 3475064 DZUYQTMQCZTVEY-UHFFFAOYSA-N 379.460 3.653 0 40 GHAB O=C(NCc1nnc(S)n1-c1ccccc1)c1cc(Cl)ccc1Cl 4059229 FMQGRJWNZHIZCI-UHFFFAOYSA-N 379.272 3.793 0 40 GHAB COc1cccc(C(=O)NCc2nnc(SC)n2-c2cccc(Cl)c2)c1 4059342 JMKQELLOAZYMMO-UHFFFAOYSA-N 388.880 3.581 0 40 GHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 4275379 YFJPUTNKQMTJSS-UHFFFAOYSA-N 398.440 3.851 0 40 GHAB biogenic,in-vitro COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccncc2)c1OC 4329932 MUDZEPBSMWZZNA-LJQANCHMSA-N 378.432 3.537 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2)C1=O 4457079 DCEQEGDFLIBZKT-IQGJIOQQSA-N 384.457 3.774 0 40 GHAB COc1cccc(C2=N/C(=C/c3ccc(OC(=O)C(C)C)c(OC)c3)C(=O)O2)c1 5000721 NPZPFLVKRLAWCX-LICLKQGHSA-N 395.411 3.610 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1Cl 5154208 ARUYCCUOOWANOB-UHFFFAOYSA-N 390.892 3.675 0 40 GHAB CCN1CCN(C(=S)N[C@H](CC(=O)c2ccccc2)c2ccccc2)CC1 5161868 WAJMOJWJQLIPDJ-HXUWFJFHSA-N 381.545 3.513 0 40 GHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)N(C)c3ccccc3)o2)c(OC)c1 5170949 KKCMMZMPNVHYRM-CYBMUJFWSA-N 399.472 3.897 0 40 GHAB CCCOC(=O)c1ccc(Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 5183159 ASBVPISWDMDXNM-ZDUSSCGKSA-N 397.500 3.593 0 40 GHAB Cc1c(C)c2cc(Cl)c(O[C@@H](C)C(=O)NCc3cccnc3)cc2oc1=O 5206548 QKOCRFXVQVIXCW-ZDUSSCGKSA-N 386.835 3.542 0 40 GHAB Cc1cc(C)n2c(SCC(=O)c3cc(C)n(Cc4ccco4)c3C)nnc2n1 5213390 SJEBIBFWDACQBH-UHFFFAOYSA-N 395.488 3.776 0 40 GHAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccn2)N1c1ccccn1 5323542 SLUSCSWBPKHDRQ-SFHVURJKSA-N 389.798 3.986 0 40 GHAB C[C@@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)N1C(=O)c2ccccc2C1=O 5515409 PNALXHBENFFHQW-SFHVURJKSA-N 398.462 3.900 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)c3cc(F)ccc3OC)n2C)cc1 6078010 SDEPKNDWPPFXJA-UHFFFAOYSA-N 387.436 3.613 0 40 GHAB COc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2SC)cc1 6622161 PZHSEVBDSCVRTE-UHFFFAOYSA-N 386.502 3.729 0 40 GHAB COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C)cc1 6752833 AUICVTBRLJLACL-OAQYLSRUSA-N 377.444 3.672 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 6859710 FVNCRIINDNEOEU-INIZCTEOSA-N 388.870 3.529 0 40 GHAB Cc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 6861125 YDZWELQSVSQLQG-NSHDSACASA-N 387.288 3.607 0 40 GHAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(C)c1 8207935 QWJLSPJEWPEOOW-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(F)c(F)c1 8310308 PYPHHFACBOGJHP-SFHVURJKSA-N 388.414 3.902 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 8311994 IXNQUHYHAMGHPA-AWEZNQCLSA-N 396.520 3.614 0 40 GHAB COc1ccc(CCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 9063392 DXLMRIRIWUIHQT-UHFFFAOYSA-N 386.923 3.920 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(C)c2C)cc1 9237843 BMHGCJLBFHXXGC-RBUKOAKNSA-N 393.516 3.910 0 40 GHAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)NCc1cccnc1 9422680 PESDPWPLSVOIFB-UHFFFAOYSA-N 386.407 3.550 0 40 GHAB biogenic COc1ccccc1/N=c1\scc(-c2ccc(C)cc2)n1N1CCOCC1 9707458 XYVDBACQOGBYNT-DQRAZIAOSA-N 381.501 3.734 0 40 GHAB CC(=O)N[C@H](CC(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccc(C)cc1 9902095 SAFYBLSQWPIVBJ-JOCHJYFZSA-N 375.472 3.629 0 40 GHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)o2)c(C)c1 10253653 WOHOVPWCZYSWLW-UHFFFAOYSA-N 399.472 3.788 0 40 GHAB CCN(CC)C(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12 12177311 PJNOGCBRMCULBY-UHFFFAOYSA-N 381.432 3.532 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc1 12552343 HUSPDJSEEGSWMZ-GFCCVEGCSA-N 378.350 3.766 0 40 GHAB COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccccc2Br)c1 12783320 HQDPNFGIQOMTSP-MRXNPFEDSA-N 396.306 3.984 0 40 GHAB CN(C)C(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C 12795014 UFOPNILMXNJUAA-ZDUSSCGKSA-N 392.594 3.875 0 40 GHAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1c(F)cc(F)cc1Br 12817137 SGXVUQANYVODMT-SECBINFHSA-N 388.233 3.867 0 40 GHAB C/C=C/c1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc(OC)c1OC 12888660 OXRVBWNVZVMHBF-GQCTYLIASA-N 380.444 3.881 0 40 GHAB COc1ccc(-c2nc(CC(=O)N3CCc4ccccc4C3)cs2)cc1OC 12890433 MBWXXSLGRMELBE-UHFFFAOYSA-N 394.496 3.955 0 40 GHAB COc1ccc(Br)c(C(=O)Nc2ccccc2N2CCCC2=O)c1 12987054 GSEPQIDMVZFOAF-UHFFFAOYSA-N 389.249 3.837 0 40 GHAB CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 13684509 PIEYJUMELLMHNJ-IBGZPJMESA-N 396.487 3.736 0 40 GHAB COC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(C2CC2)C4)cc1 13726838 SHRXWZOOPWPVBW-UHFFFAOYSA-N 393.395 3.686 0 40 GHAB biogenic CCCCCCNC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13942601 CNNIPYNFZZSUTB-MRXNPFEDSA-N 389.927 3.909 0 40 GHAB O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)N1c1ccc2c(c1)OCO2 15109855 VGUIUWFHIDMHCS-NRFANRHFSA-N 388.379 3.915 0 40 GHAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)N1CCCCCC1 15922081 RFBPXCNKBFRQBA-MRXNPFEDSA-N 394.475 3.523 0 40 GHAB Cc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)Cc2cc(F)ccc2F)on1 19120847 DRNABMXLGJONRZ-QGZVFWFLSA-N 386.402 3.948 0 40 GHAB Cc1cccc([C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@]23CCCCC(=O)N3)n1 19236382 TYRJBWGOVPNEBM-HTAPYJJXSA-N 385.458 3.697 0 40 GHAB Cc1nc2ccccc2n1[C@H](C)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 19286673 VSEKKMAVHARQDC-JLTOFOAXSA-N 391.450 3.684 0 40 GHAB CC(C)Oc1ccc(CN2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 19450574 WBGBTPDOVFLSLT-LJQANCHMSA-N 390.487 3.609 0 40 GHAB CCCN1CCN(CC2CC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19502934 UUYDAAPNQLAMOB-QHCPKHFHSA-N 377.532 3.872 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)CCc2nc(-c3cccs3)no2)c1 21598643 SOLCUEDFYWCMOM-UHFFFAOYSA-N 398.488 3.851 0 40 GHAB Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 24580721 MFWZKVGZVQPTIO-UHFFFAOYSA-N 381.476 3.567 0 40 GHAB O=C(COc1cccc(Br)c1)N1CCc2[nH]c3ccccc3c2C1 24752587 GMZSJTAOPSCGBC-UHFFFAOYSA-N 385.261 3.894 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)CN1CCC([C@H](O)c2ccccc2)CC1 24972478 OHZIGAYCHNPEIT-HSZRJFAPSA-N 384.495 3.620 0 40 GHAB CCOC(=O)c1sc2ncnc(N(C)Cc3nc4ccccc4[nH]3)c2c1C 25494014 GZHCCKFOSVGFIJ-UHFFFAOYSA-N 381.461 3.689 0 40 GHAB CC(=O)N[C@@H](CC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1cccs1 27379742 OJNYTXTVBDHBAF-RDJZCZTQSA-N 397.500 3.863 0 40 GHAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(Br)cc1C(F)(F)F 28224753 HNHRBIGYVQUGJN-UHFFFAOYSA-N 399.188 3.874 0 40 GHAB O=C(NC[C@H]1COc2ccccc2O1)c1cccc(OCc2ccccc2)c1 28910292 XFKSFLRQOXOUJX-FQEVSTJZSA-N 375.424 3.835 0 40 GHAB O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 32796252 CZKHZDWYHQZBRL-LLVKDONJSA-N 377.213 3.580 0 40 GHAB Nc1c(Cl)cc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1Cl 32843650 VEKOBIYWZNYZQG-GFCCVEGCSA-N 384.288 3.880 0 40 GHAB COc1cc(/C=C2\NC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1Cl 34782052 UFZBTKMONASSNL-NSIKDUERSA-N 393.226 3.761 0 40 GHAB COc1cc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc2c1OCO2 35324386 FNTIWJXAAWKGKV-CQSZACIVSA-N 397.818 3.737 0 40 GHAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)[C@H]1CCCc2ccccc21 36392090 HVBFUPSPTJWAOC-NRFANRHFSA-N 398.528 3.585 0 40 GHAB Cc1ccc(NC(=O)NCCCOC(C)C)cc1I 40023851 BFWQTRLDLCBKIP-UHFFFAOYSA-N 376.238 3.536 0 40 GHAB Cc1cnc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)s1 40145121 UYKUQBVCUYQZSE-UHFFFAOYSA-N 379.488 3.566 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)CNc2ccc(SC(F)F)cc2)cc1 40162251 UOCSAVHZYPLKQD-UHFFFAOYSA-N 393.459 3.819 0 40 GHAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2Cl)c1=O 44840204 PDQMHWKAHVXMEK-AWEZNQCLSA-N 399.878 3.735 0 40 GHAB Cc1cc(S(=O)(=O)Nc2cccc(C)c2C(=O)N2CCCC2)c(C)s1 48355244 WBOUMNQLAPBKIL-UHFFFAOYSA-N 378.519 3.710 0 40 GHAB CCOC(=O)c1c(C)nc2n(CCOc3ccc(OC)cc3)c3ccccc3n12 51325938 FYYAFUPCGGVXBO-UHFFFAOYSA-N 393.443 3.862 0 40 GHAB O=S(=O)(NCc1ccco1)c1cc(Cl)c(Br)cc1Cl 54363477 AVMUNJZXQCVUCN-UHFFFAOYSA-N 385.066 3.827 0 40 GHAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1csc(-c2ncccn2)n1 54549804 GVUUUHAAPGJXBG-UHFFFAOYSA-N 378.379 3.891 0 40 GHAB CC(C)OC(=O)C[C@@H](NC(=O)N[C@@H](C)Cc1ccc(O)cc1)c1ccccc1 56769121 YPKYKMUEVBRVHK-OXJNMPFZSA-N 384.476 3.705 0 40 GHAB COc1ccccc1N1CCN([C@H](CC(C)C)c2nnnn2C2CCCC2)CC1 57669631 VKPYMYSQUGUFBJ-HXUWFJFHSA-N 398.555 3.706 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 57823574 LMDPOOSGEUFWIC-UHFFFAOYSA-N 392.235 3.884 0 40 GHAB CN(C(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)c1ccccc1 58223784 BLUBBTOGWDXKNX-UHFFFAOYSA-N 380.469 3.788 0 40 GHAB O=C(O[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cc(F)c(F)c(F)c1F 61352701 HMGQJICEVLPBCN-INIZCTEOSA-N 385.288 3.559 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3 64814472 XNGOVZLANKNNPM-TXEJJXNPSA-N 397.397 3.616 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NCCC(C)C)nc3cc(C)[nH]c3c2=O)cc1 67237002 ZMEHPNXRFVUYNL-UHFFFAOYSA-N 398.532 3.585 0 40 GHAB Cc1cc([C@H]2CCCN2C(=O)OCc2ccccc2)cnc1N1CCOCC1 72219336 JJNYMPGYVPFHTF-HXUWFJFHSA-N 381.476 3.700 0 40 GHAB CCCCOCCNC(=O)CN1CCC[C@H]1c1nc2ccccc2n1C(C)C 72308893 DQDZBJVFNVOGTJ-FQEVSTJZSA-N 386.540 3.687 0 40 GHAB Cc1ccc([C@H](O)c2cccc(F)c2N2CCN(Cc3cccs3)CC2)nc1 72340725 CWSTXQATYILZMI-JOCHJYFZSA-N 397.519 3.995 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 72354876 SUMMFQHNFDLENX-OAHLLOKOSA-N 383.452 3.607 0 40 GHAB NC(=O)c1ccc2nc(-c3ccc(I)cc3)sc2c1 73740446 GXXSBIIKVFMKSK-UHFFFAOYSA-N 380.210 3.667 0 40 GHAB O=C(CCSc1ccccc1)N1CC(c2nc(Cc3ccccc3)no2)C1 77190686 GXCNTJLXSQYAMC-UHFFFAOYSA-N 379.485 3.769 0 40 GHAB Cc1csc(N2CCN(C(=O)c3cc(Cl)c4ccccc4c3O)CC2)n1 78995512 VZFPOMYIQIKQHG-UHFFFAOYSA-N 387.892 3.926 0 40 GHAB CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(C)c(C)s2)c1 89942311 QBTOKKCGHKNEQN-ZDUSSCGKSA-N 380.535 3.835 0 40 GHAB Cc1cc(C)n(CC2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)n1 90560620 QTJYUEJRNNUVGZ-UHFFFAOYSA-N 381.929 3.563 0 40 GHAB COc1cc(-c2ccnc3nc(CCc4ccccc4)nn23)cc(OC)c1OC 95478088 YEQSJRNVWNPBRW-UHFFFAOYSA-N 390.443 3.602 0 40 GHAB C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(C1CCCCC1)CC2 96319724 JCOVILCFVSITPQ-ZAAXVRCTSA-N 398.551 3.583 0 40 GHAB CCCCN1C(=O)[C@@H]2[C@@H](ON(c3ccc(Cl)cc3)[C@H]2c2ccccc2)C1=O 102219147 RJSQHGJCDADIRW-GBESFXJTSA-N 384.863 3.987 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(OC)c(OC)c3)o2)cc1 109417631 XVWHUWQQIXMFSJ-UHFFFAOYSA-N 382.416 3.939 0 40 GHAB O=C(O)c1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1O 148758325 APVDITMJLXIAKS-UHFFFAOYSA-N 396.635 3.851 0 40 GHAB N[C@H]1CCCN(c2c(/C=C3/SC(=O)NC3=O)cccc2-c2ccccc2)C1 209730730 MCUJKPPARUPFJM-IQFISFIMSA-N 379.485 3.605 0 40 GHAB in-man CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(OC)c(OC)c1 219327184 FINPEVCRAVSLBQ-GOSISDBHSA-N 375.440 3.749 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@@H](C)N(c1ccc(OCC)cc1)S(C)(=O)=O 223707369 UVZNIBDJOZVIES-SJORKVTESA-N 398.569 3.572 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 225391489 VMJQWNQWIROBNA-QFIPXVFZSA-N 396.531 3.961 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 225698630 QSCXVKCSVNVJNQ-QGZVFWFLSA-N 386.923 3.867 0 40 GHAB Cc1cc(C)c2[nH]c(C[C@H](c3nc4cc(C)cc(C)c4[nH]3)S(=O)(=O)O)nc2c1 255187855 HEOZVUWVMAQUJI-MRXNPFEDSA-N 398.488 3.844 0 40 GHAB O=C(CN1CCCCCC1)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 257340811 ZHPRAHCNGMKLLF-FQEVSTJZSA-N 385.483 3.944 0 40 GHAB CCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC[C@H]2C)n1 260732917 CYZRXOJHBRRHOB-OAHLLOKOSA-N 376.574 3.542 0 40 GHAB CC(C)n1cnc([C@H]2CN(Cc3ccsc3)C[C@]23CCN(CC2CC2)C3=O)c1 306139063 SOJBMFGFNBFBSR-DENIHFKCSA-N 398.576 3.754 0 40 GHAB CCOc1cc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)ccc1O 408801986 XNFNTSFODASFKK-UHFFFAOYSA-N 385.465 3.871 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 409002552 ONZQGRGYAXELCS-OAQYLSRUSA-N 388.467 3.983 0 40 GHAB CCc1cccc2c(/C=C3\SC(=O)NC3=O)cn(CC(=O)N3CCCCC3)c12 409141630 WEELGBDDIFJSIS-BOPFTXTBSA-N 397.500 3.540 0 40 GHAB COc1cnccc1[C@@H](C)NC(=O)N1[C@H]2CC[C@H]1c1cnc(C(C)(C)C)nc1C2 527866070 IDGZUOTZNBCQPR-GLJUWKHASA-N 395.507 3.710 0 40 GHAB O=S(=O)(NCc1ccc(-c2ccco2)o1)c1ccccc1OC(F)(F)F 575609332 BBEBIDURCNSGGZ-UHFFFAOYSA-N 387.335 3.917 0 40 GHAB NC(=O)c1cccc(NC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)c1 585090754 DYWMSUFOLWKZMV-UHFFFAOYSA-N 387.430 3.940 0 40 GHAB Cc1nc(C)c(CN2CCOC[C@@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)s1 585103683 FHFOLQGTXVVVGM-VGSWGCGISA-N 399.560 3.572 0 40 GHAB Cc1cc(C)nc(N2CCC3(CC2)Cc2ccccc2CN(CC2CC2)C3=O)n1 585105763 JRJOZYHNUPBGAU-UHFFFAOYSA-N 390.531 3.675 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)N1CC(C)(C)Oc2cc(Br)ccc21 622987600 IQPNTXQNBKSXHU-UHFFFAOYSA-N 392.297 3.546 0 40 GHAB O=C(Nc1nnc2n1CCCC2)c1cc(-c2ccccc2)n(-c2ccccc2)n1 679584564 UDZSNNYDONXNOA-UHFFFAOYSA-N 384.443 3.719 0 40 GHAB CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(O)c(Cl)c1)c1c[nH]c3cccc(c13)N2 1547138687 PUTPYUCWPGRCLC-GOSISDBHSA-N 393.830 3.727 0 40 GHAB biogenic O=C(CCc1ccccc1)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889166643 SXEKVQLAVCFRMB-WMZOPIPTSA-N 389.421 3.770 0 40 GHAB Cn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1 797523 DQYGIBRXHBALPN-UHFFFAOYSA-N 387.896 3.811 0 40 GHAB Cc1ccc(/C=C2/N=C(c3cccc(I)c3)OC2=O)cc1 829630 VVVWKJFETIUREE-OQLLNIDSSA-N 389.192 3.944 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)c(C)c1 886826 AFAPMJIHUAPUJC-UHFFFAOYSA-N 381.436 3.993 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)NC1CCCC1 905140 PMXZNIPEFWZXGY-UHFFFAOYSA-N 393.516 3.539 0 40 GHAB O=S(=O)(N[C@H](c1ccc(O)cc1)C(Cl)(Cl)Cl)c1ccccc1 1062614 XVPBDMPXEQIRAU-CYBMUJFWSA-N 380.680 3.782 0 40 GHAB COc1ccc([C@H]2Sc3[nH]c(=O)sc3[C@@H]3c4ccccc4OC(=O)[C@H]23)cc1 1072907 RNGXRKMCDCIEIL-OWCLPIDISA-N 397.477 3.959 0 40 GHAB O=S(=O)(c1cccc(Cl)c1)N1CCC(n2cnc3cc(F)ccc32)CC1 1380334 SPEYPSOJGQHZNC-UHFFFAOYSA-N 393.871 3.855 0 40 GHAB COC(=O)Cc1c(-c2[nH]c3ccccc3c2CC(=O)OC)[nH]c2ccccc12 1651348 GYWJQUMLHUUBEH-UHFFFAOYSA-N 376.412 3.747 0 40 GHAB COc1ccc(/C=C/COC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 1697180 GRRDUNKIGVALCZ-HFACTSAFSA-N 384.428 3.991 0 40 GHAB Cc1ccccc1-n1c(=O)c2c3c(sc2n2c(C)nnc12)COC(C)(C)C3 2309173 JHRBPPCSRAAQIG-UHFFFAOYSA-N 380.473 3.563 0 40 GHAB CCc1nnc(NC(=O)CSc2nc(-c3cccc(C)c3)ns2)s1 2917584 KKYXNGFQJMKCRJ-UHFFFAOYSA-N 377.520 3.658 0 40 GHAB Cc1ccc2nc(-c3ccc(NC(=O)CSc4nnnn4C)cc3)sc2c1 3238146 XEMMIEDDOTXVNO-UHFFFAOYSA-N 396.501 3.526 0 40 GHAB COCCn1c(Sc2ncnc3sc(C)c(C)c23)nc2ccccc2c1=O 3401243 OLTRVZKYMQXJQO-UHFFFAOYSA-N 398.513 3.816 0 40 GHAB COc1ccc(CCN(C)C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1OC 4177251 NCIABWFZLZTAJL-OAQYLSRUSA-N 396.531 3.617 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 4285791 WDSBLRDJORDHQK-YPMHNXCESA-N 391.562 3.650 0 40 GHAB Cc1c(N(C)C(=O)C23CC4CC(CC(C4)C2)C3)c(=O)n(-c2ccccc2)n1C 4557480 AGXXXKIHZVVROH-UHFFFAOYSA-N 379.504 3.664 0 40 GHAB COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)c1ccc(C)cc1 4732580 PTVNUCOXBABUAI-UHFFFAOYSA-N 399.454 3.958 0 40 GHAB CCOC(=O)N1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 4783086 XCWNSEAAXMPCJC-IBGZPJMESA-N 384.501 3.821 0 40 GHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C)ccc3OC)n2)cc1 4814969 KSBQHCKVVHCYDB-UHFFFAOYSA-N 384.461 3.528 0 40 GHAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N2CCCC2)n1-c1ccccc1 4843383 XSRFPIZVHXTYHD-OAHLLOKOSA-N 382.489 3.939 0 40 GHAB COc1ccccc1C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O 5156765 GVMJQKNLPYJEHW-AWEZNQCLSA-N 391.402 3.789 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccccc2)cs1 5189540 WIDVRXFRSFQERR-UHFFFAOYSA-N 390.461 3.752 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 6767106 NCGBQDUVYVDCLD-UHFFFAOYSA-N 378.881 3.613 0 40 GHAB C[C@H](O)CCC(=O)NCCc1nc2ccccc2n1Cc1cccc(Cl)c1 7546304 COSHBZDFJNIBRV-HNNXBMFYSA-N 385.895 3.558 0 40 GHAB CCCn1c(SCC(=O)Nc2cccc(C(=O)NC)c2)nc2ccccc21 7986754 LOHVWBMRTPTPFA-UHFFFAOYSA-N 382.489 3.537 0 40 GHAB O=C(COc1ccc(F)cc1Br)NCCSc1ccccc1 8361136 HACPIQMUFQVKRB-UHFFFAOYSA-N 384.270 3.876 0 40 GHAB CCCCOc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 8564441 WGOMYFHUFCHHMV-UHFFFAOYSA-N 382.460 3.590 0 40 GHAB C[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1ccccc1-c1ccccc1 9753486 LQFWBORJVMDEQH-INIZCTEOSA-N 385.427 3.735 0 40 GHAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900640 SXBKAWQKDGEKRX-CYBMUJFWSA-N 381.863 3.525 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1Cl 9979618 SSZQLTIPDJJQKI-UHFFFAOYSA-N 385.851 3.673 0 40 GHAB COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CC(C)(C)NC2(C)C 10061667 OQQFYQWWAIJYCY-UHFFFAOYSA-N 392.546 3.937 0 40 GHAB COc1ccc(C(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)c(O)c1 10637516 RWFBBWWLFMTRRW-LLVKDONJSA-N 375.375 3.679 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 10763066 VJHLKQNBHSEQSQ-IBGZPJMESA-N 394.496 3.879 0 40 GHAB Cc1c(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)oc2ccc(F)cc12 10968470 HQEVUPVLNKMSSI-GFCCVEGCSA-N 375.421 3.775 0 40 GHAB COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(C)c(C)c3)CC1)C[C@H]2O 12293500 ODYPCQLMKNRRSJ-FGZHOGPDSA-N 397.515 3.696 0 40 GHAB Cc1cc(C(=O)CCC(=O)N[C@@H](c2ccccc2)c2nccn2C)c(C)s1 12535341 DFKARSIGJSPXOY-FQEVSTJZSA-N 381.501 3.967 0 40 GHAB CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)c1ccc2nccnc2c1 12779141 UTPPMRHUOTXHFQ-UHFFFAOYSA-N 391.427 3.654 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716055 ITBARCVIOLYFLD-PXNSSMCTSA-N 388.533 3.725 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccccc1 14184512 IOEVFUTZGCTEPN-LJQANCHMSA-N 380.400 3.523 0 40 GHAB C[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1 15745242 FSMLYBBRUZJDKT-AUSIDOKSSA-N 386.495 3.948 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCN(c3ccccn3)C2)c(OC)c1 19552090 IBWZRUFVUKRAMN-FXAWDEMLSA-N 395.503 3.679 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(Cl)cc1 20043643 JBXVMNJKPZTPIX-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB Cc1csc(CNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)n1 21483291 DYVRQIBMJGSLNN-UHFFFAOYSA-N 381.461 3.967 0 40 GHAB CS(=O)(=O)Nc1cc(NC(=O)c2cc3c(F)cccc3s2)ccc1F 22972566 PEWSDTHQUYAEKQ-UHFFFAOYSA-N 382.413 3.803 0 40 GHAB O=C(Nc1ccc(F)cc1F)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23732454 FLLVYJJLAMYVKD-UHFFFAOYSA-N 386.324 3.733 0 40 GHAB CCn1c(=O)n(CCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c2ccccc21 23765678 YPDTZCSUQRCIFE-CQSZACIVSA-N 387.430 3.711 0 40 GHAB O=S(=O)(c1ccc(NCCNc2cccc3ccccc23)nc1)N1CCCC1 23866784 KUZWGTZNFZDALX-UHFFFAOYSA-N 396.516 3.543 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC(=O)N3)c1 24538173 TWYDJFVHQHKAMM-IBGZPJMESA-N 380.444 3.566 0 40 GHAB Cc1cc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(C)c1 24606422 BOAQMNHRYZSTBG-INIZCTEOSA-N 392.546 3.713 0 40 GHAB O=C(Nc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607092 NBSLSRMOVJTVAP-UHFFFAOYSA-N 392.908 3.521 0 40 GHAB O=C(CN(Cc1ccco1)C(=O)C1=Cc2ccccc2OC1)Nc1ccccc1 25388280 RLSMATOMXILOJP-UHFFFAOYSA-N 388.423 3.723 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccsc2c(=O)n1C 26099062 NJJGSOOGXGWKFW-UHFFFAOYSA-N 379.894 3.688 0 40 GHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1c[nH]c2ccccc12 26567271 WPNCDXCHQMVBIP-UHFFFAOYSA-N 376.504 3.799 0 40 GHAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)C1CCN(c2ccc(Cl)cn2)CC1 32638047 BCPPUIPXWDTEJP-UHFFFAOYSA-N 381.867 3.980 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c(-n2cnnc2)c1 32646697 FFUIYMMVBVSDKM-UHFFFAOYSA-N 384.439 3.845 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)cc1 32746269 ZUFHZDQYNRXMCF-QGZVFWFLSA-N 378.519 3.781 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCCOc2ccccc2F)cc1 32836036 KESULTUVESQVNA-INIZCTEOSA-N 394.512 3.586 0 40 GHAB CCn1c(=O)n(CCC(=O)N(C)[C@@H]2CCCc3ccccc32)c2ccccc21 32847891 AWYHJYLVYYHJRP-LJQANCHMSA-N 377.488 3.749 0 40 GHAB Cc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c(C)c1 32863697 DQWODZJBVMVGBN-UHFFFAOYSA-N 380.488 3.819 0 40 GHAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)Nc1ccc2c(c1)CCC2 35312251 FYDGBZOIBXFERC-UHFFFAOYSA-N 393.447 3.865 0 40 GHAB COc1ccc(NC2(c3nnnn3-c3ccc(OC)c(OC)c3)CCCC2)cc1 35622792 JDORNELTKAGKFQ-UHFFFAOYSA-N 395.463 3.570 0 40 GHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC12CC3CC(CC(C3)C1)C2 36022305 XLUZWTSNZVRJNA-SJAGGWKPSA-N 390.474 3.804 0 40 GHAB O=c1oc2cc(Br)ccc2n1CN1CCC[C@H](C(F)(F)F)C1 36391083 OWNLYIGZQCSJOO-VIFPVBQESA-N 379.176 3.589 0 40 GHAB Cc1cccc(C)c1NC(=O)CCn1c(=O)cc(C(F)F)c2c(C)n(C)nc21 36621528 PYVRLHZGUSYDCF-UHFFFAOYSA-N 388.418 3.627 0 40 GHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 40104490 PIYVXTUOIXADHY-CQSZACIVSA-N 399.413 3.880 0 40 GHAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NC[C@@H]1CCCO1 42864407 KQDCAGMUSHMYGJ-JXFKEZNVSA-N 381.476 3.820 0 40 GHAB Cc1cc(NC(=O)C2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)no1 44611755 NSGZIBKYKFXHOJ-UHFFFAOYSA-N 387.867 3.545 0 40 GHAB COc1cc(/C=C/CO)ccc1O[C@H](C)Cc1cc(OC)c(OC)c(OC)c1 49181066 CZVGIALASULOAU-LQYUOIDQSA-N 388.460 3.737 0 40 GHAB biogenic,in-vitro O=C(/C=C/c1cscn1)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 50331576 CDUBIABYXHIOBC-DAFODLJHSA-N 383.395 3.650 0 40 GHAB Cc1ccccc1-n1cnn(CN2CCN(c3ccc(F)cc3)CC2)c1=S 56552645 SMRPTMMBRXAPFF-UHFFFAOYSA-N 383.496 3.631 0 40 GHAB Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1 56945383 XNHCFNXPXFDQNG-JOCHJYFZSA-N 389.499 3.881 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 57767356 YIWUJVXEEVGDLG-UHFFFAOYSA-N 398.484 3.641 0 40 GHAB O=S(=O)(CCCSc1nnc(-c2ccc(F)cc2)o1)c1ccccc1 58171005 ZJZQHVXPLPLHGZ-UHFFFAOYSA-N 378.450 3.832 0 40 GHAB COc1ccc(C)cc1NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 58367647 WPBCYKXFUAUHTQ-CQSZACIVSA-N 398.381 3.584 0 40 GHAB O=C(c1cccc(Br)c1)N1CCCN(c2nc3ccccc3[nH]2)CC1 60349203 UNJZNTYQBBHVLE-UHFFFAOYSA-N 399.292 3.678 0 40 GHAB CCOC(=O)CN(C(=O)/C=C/c1c(C)nn(Cc2ccc(C)cc2)c1C)C(C)C 60540985 PWGOJPCHOKSDQV-OUKQBFOZSA-N 397.519 3.670 0 40 GHAB C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)C2(c3ccc(Br)cc3)CC2)C1 65760795 ONNHNLNWPYAMJC-XHSDSOJGSA-N 393.369 3.963 0 40 GHAB COc1cc(C)cc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1O 66931975 XKHDBAOVPDOJIL-UHFFFAOYSA-N 378.432 3.556 0 40 GHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(C)ccc3C)c2C)c(C)c1 71327305 WAOBVVUIJWDMSQ-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB Cc1ccc(C)c(OCn2ccc(C(=O)Nc3cc(-c4ccncc4)n[nH]3)n2)c1 72255884 REWPOXNYEARGDM-UHFFFAOYSA-N 388.431 3.574 0 40 GHAB COc1ccccc1CN(Cc1cccs1)S(=O)(=O)Cc1cc(C)no1 72275107 QVTPASHXRDDBAK-UHFFFAOYSA-N 392.502 3.585 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@H]2CCCN2C(=O)C2CCN(C)CC2)n1 72384487 BSWMBKKOFKSMFT-GOSISDBHSA-N 398.482 3.722 0 40 GHAB Cc1oc(-c2cccs2)nc1C(=O)N1c2ccccc2[C@@H](C(N)=O)C[C@@H]1C 84052901 XDJHCRUJFLIELE-FZMZJTMJSA-N 381.457 3.719 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CC(c2nc(-c3ccsc3)no2)C1 90567282 JXZSEADEEPSKHC-UHFFFAOYSA-N 375.837 3.700 0 40 GHAB O=C(NCCn1ccc(C(F)(F)F)n1)NC(c1ccccc1)c1ccccc1 96099046 AWKGFHIMEZDMCF-UHFFFAOYSA-N 388.393 3.991 0 40 GHAB CN1CCc2cc([C@@H](O)CNC(=O)Nc3ccc(C(F)(F)F)cc3)ccc21 96363119 YEJZUEKOUNUMGL-KRWDZBQOSA-N 379.382 3.553 0 40 GHAB Cc1nc(COc2ccccc2C(=O)N2CCC(c3ccc(O)cc3)CC2)no1 97036240 GYSRRPFOTBHBTN-UHFFFAOYSA-N 393.443 3.682 0 40 GHAB Cc1ncccc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 100155948 BJJSWHDHUKMBET-IYBDPMFKSA-N 377.448 3.539 0 40 GHAB O=C1[C@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 101188262 VCGITXLYQZELCE-HIFRSBDPSA-N 395.629 3.939 0 40 GHAB CCOC(=O)c1cn(Cc2cccnc2)c2cc(C(F)(F)F)c(F)cc2c1=O 199801902 JHQZCVPWYKNUPH-UHFFFAOYSA-N 394.324 3.779 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)NCCCN1CCCc2ccccc21 219571359 NBBWHQHURHECBM-FQEVSTJZSA-N 382.504 3.812 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c1 220125113 AGJPPUIREHAIBB-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB CCOc1ccc(S(=O)(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1 223001423 FCDYMHPYKTUXTF-LBPRGKRZSA-N 396.306 3.988 0 40 GHAB COc1ccc(CC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1C 223257171 DYBGIRLAAHLCFU-UHFFFAOYSA-N 385.851 3.908 0 40 GHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 223262306 JNMCWNVWAMEORQ-VQTJNVASSA-N 383.565 3.532 0 40 GHAB Cc1cccc(-c2noc(CN(C)C(=O)C3(c4ccccc4)CCOCC3)n2)c1 223679164 PUYGZWOECVOJOQ-UHFFFAOYSA-N 391.471 3.752 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1F 224973173 PWBNKCIDIAIDFL-QFIPXVFZSA-N 398.522 3.990 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(OCC)c3)ccc21 225728124 VEBXRTRMDLKUCZ-UHFFFAOYSA-N 392.502 3.673 0 40 GHAB CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)CC)CC1 257253292 JYHPNWOWTZJMNS-UHFFFAOYSA-N 393.531 3.836 0 40 GHAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CN(Cc3cnn(C)c3)CCO2)n1 257274891 NNBZBFIZJQZPAN-QFIPXVFZSA-N 396.922 3.941 0 40 GHAB Cc1ccsc1C(=O)N1CC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306137374 QUQVJXWPPHTAJR-KRWDZBQOSA-N 389.484 3.791 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)NCCc1ccc(-c2ccoc2)s1 390830398 KUVPSNWDIQBJPC-UHFFFAOYSA-N 389.498 3.531 0 40 GHAB CCCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 408546791 GLGBLESEXLPIQK-UHFFFAOYSA-N 394.924 3.760 0 40 GHAB CCOc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408559892 NFMZVUKIEDPMTC-HNNXBMFYSA-N 398.484 3.544 0 40 GHAB CCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 408584639 SIFMJJFDUPWXCZ-UHFFFAOYSA-N 375.494 3.827 0 40 GHAB Cc1ccc2nc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)sc2c1 408620549 JYJOGRGRTQCMPQ-UHFFFAOYSA-N 385.470 3.503 0 40 GHAB C[C@@H]1[C@@H](NC(=O)c2cccc(C(F)F)c2F)CC(=O)N1Cc1ccccc1 529261389 MXUBUFMZSMDGCG-WBMJQRKESA-N 376.378 3.683 0 40 GHAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H](Oc2ccncc2Cl)C1 575611646 FIJTXOJMSOIIQE-JTQLQIEISA-N 393.317 3.682 0 40 GHAB CCOc1ccc2ccccc2c1C(=O)NCc1ccc(-c2cnn(C)c2)nc1 575616514 MRISWPBDRHLPKL-UHFFFAOYSA-N 386.455 3.964 0 40 GHAB Cc1ncc(CN2CC[C@@]23CCCN(C(=O)c2ccc(Cl)cc2O)C3)s1 585102334 XFNURIFIDCLGPY-LJQANCHMSA-N 391.924 3.691 0 40 GHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccc2c(c1)CCCC2 585147986 LJFDCFHSZYBZHZ-OAQYLSRUSA-N 397.496 3.837 0 40 GHAB CCc1cc(NS(=O)(=O)Cc2ccc(Br)cc2Cl)no1 647267634 VZXMFDUVCUJABK-UHFFFAOYSA-N 379.663 3.595 0 40 GHAB Cc1ccccc1CN1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615124278 WHLITEKXCIBFST-HSZRJFAPSA-N 382.479 3.922 0 40 GHAB C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)CNC(=O)c1cc2ccccc2[nH]1 1627228935 NOQHCNBPPWWXTG-QHCPKHFHSA-N 393.462 3.661 0 40 GHAB Cc1ccc2sc(N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)nc2c1C 2086868762 DIWJZWSHAHAZOH-UHFFFAOYSA-N 383.521 3.527 0 40 GHAB COc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 887231 VCJQEOCYVAOMSJ-QGZVFWFLSA-N 399.921 3.794 0 40 GHAB Cc1cccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccccn2)c1C 1362757 OBSGBRKRUVHWNQ-UHFFFAOYSA-N 395.532 3.810 0 40 GHAB Cc1cccc2cc(CN(CCO)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c12 1378143 NCOBVCLIBZEEPO-UHFFFAOYSA-N 385.851 3.516 0 40 GHAB COc1ccccc1/C=C/[C@]1(C(=O)NC2CCCC2)CC(=O)N1c1ccccc1 1380424 ULWPRFVIALPIKT-RFAWQRTRSA-N 390.483 3.943 0 40 GHAB Cc1ccc2c(c1)nnn2C1CCN(C(=O)c2ccc(Br)cc2)CC1 1380727 FGELPIGYLPQAMQ-UHFFFAOYSA-N 399.292 3.980 0 40 GHAB CC(C)CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2245191 DFVCMVAIKOKSJK-PDGQHHTCSA-N 381.428 3.776 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nc2ccccc2c1=O 3337779 OTKLCGGSBDBQOK-UHFFFAOYSA-N 385.464 3.985 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Br)s1)C(=O)O 4241247 DSXHLHPKFMNVDK-HNNXBMFYSA-N 390.299 3.907 0 40 GHAB CCCCCOc1c(OC)cccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 4616489 UTMWCQXSRCBRCX-KRWDZBQOSA-N 392.521 3.620 0 40 GHAB COC(=O)c1ccc(N2CCC(C)CC2)c(NC(=O)c2ccccc2OC)c1 4709135 ZEPWOZSNHLTAQY-UHFFFAOYSA-N 382.460 3.970 0 40 GHAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 5210684 NQXLXJRFAOOYSQ-UHFFFAOYSA-N 383.429 3.562 0 40 GHAB COc1ccc(Cl)c2sc(NC(=O)c3ccc4c(c3)OCCO4)nc12 5256600 RPBGDHLIBCJHFQ-UHFFFAOYSA-N 376.821 3.982 0 40 GHAB Cc1c(NC(=O)COc2ccc(C(C)(C)C)cc2)c(=O)n(-c2ccccc2)n1C 5471487 WYINUSVUXSFHMG-UHFFFAOYSA-N 393.487 3.799 0 40 GHAB CCOC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2)C1=O 5869633 ZIIUGAYNVPUFSV-PDGQHHTCSA-N 397.452 3.865 0 40 GHAB COc1ccc([C@@H](CNC(=S)c2ccc(NC(C)=O)cc2)N2CCCC2)cc1 6084758 CAAIIZBFWZPWIA-OAQYLSRUSA-N 397.544 3.756 0 40 GHAB O=C(NC1CCCCC1)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 6146895 UTWYDDKINNCFKI-UHFFFAOYSA-N 394.443 3.828 0 40 GHAB O=C(Cc1nc2c(c(=O)[nH]1)[C@@H]1CCCC[C@H]1S2)Nc1ccc(Cl)cc1 6448269 LWIPSMDAUJHFOB-CHWSQXEVSA-N 375.881 3.736 0 40 GHAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccnc1Cl 6478270 QUDUPGMHZBHPER-UHFFFAOYSA-N 384.852 3.770 0 40 GHAB CC(C)CC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 6563636 QSVJYNDULURKEV-UHFFFAOYSA-N 393.534 3.579 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC(C)C)c(OC)c1OC 6563968 UPKCEQFZBXBYST-ACCUITESSA-N 398.459 3.503 0 40 GHAB Cc1c(CC(=O)NC2CC2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 6624070 CZMFWKCVSRPRGQ-UHFFFAOYSA-N 381.472 3.950 0 40 GHAB biogenic CCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1cccc(C)c1C)S2 6811800 SVZWYWZYWWNJKY-RTBURBONSA-N 393.516 3.855 0 40 GHAB C[C@H](c1cccs1)n1[nH]cc/c1=N\C(=O)CC1(CC(=O)O)CCCCC1 6847380 MEGFSEWXGCARRF-HDOZFUISSA-N 375.494 3.730 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 6900077 ZKKBEHMJKKWHQL-CYBMUJFWSA-N 380.444 3.616 0 40 GHAB O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)cc1 7059943 IROJKMQHCQSZSG-UHFFFAOYSA-N 387.288 3.631 0 40 GHAB O=C(COC(=O)c1cc2ccccc2s1)Nc1nnc(-c2ccccc2)o1 7412760 SVAODSVNWGPDTA-UHFFFAOYSA-N 379.397 3.747 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1C(=O)N1CCCCC1 7604451 RHAKZABONZJXDH-UHFFFAOYSA-N 394.443 3.700 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1 7644057 DMNXEJDNZUPVML-UHFFFAOYSA-N 391.265 3.606 0 40 GHAB CCc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7669750 UPRYLDAFIIWINH-GOSISDBHSA-N 392.908 3.694 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)Nc2ccnn2Cc2ccco2)no1 7777637 LBKLDRRFPNOXBV-UHFFFAOYSA-N 395.444 3.760 0 40 GHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 8327558 LAPCMJHYZNHBSH-UHFFFAOYSA-N 392.434 3.600 0 40 GHAB CCn1c(SCC(=O)Nc2cc(C(C)(C)C)no2)nnc1-c1ccccc1 8428885 LEBINNCMGYPAIX-UHFFFAOYSA-N 385.493 3.981 0 40 GHAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(F)cc2c1OCOC2 8531384 OLUIRLVGWWXMBL-UHFFFAOYSA-N 398.356 3.782 0 40 GHAB COc1cccc2cc(/C=C/C(=O)Nc3ccccc3N3CCOCC3)oc12 8704667 HHASCLJPHMFXAF-MDZDMXLPSA-N 378.428 3.930 0 40 GHAB COc1cccc2cc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)oc12 8960444 TYHQOJAWHYYRCS-JTQLQIEISA-N 384.457 3.979 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(F)cc2)c(C)c1 9237547 RXMGXAKKIWODBA-QZTJIDSGSA-N 397.479 3.740 0 40 GHAB C[C@@H]1C[C@@H](N(c2ccccc2)S(C)(=O)=O)c2ccccc2N1C(=O)C1CC1 10153281 XZEXBJLBJIOBCE-FOIQADDNSA-N 384.501 3.729 0 40 GHAB CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)c1cccc2ccccc12 10333499 MNCVOCBYYMUFAI-HXUWFJFHSA-N 395.890 3.851 0 40 GHAB Cc1cc2oc(C(=O)N[C@@H](c3ccccc3)c3ccnn3C)cc(=O)c2cc1C 12194190 IPBQAPRROOOLCU-QFIPXVFZSA-N 387.439 3.663 0 40 GHAB O=C(O)/C=C/c1cc(I)ccc1OCc1ccccc1 12394656 PRXMFLULFIJPHU-RMKNXTFCSA-N 380.181 3.968 0 40 GHAB CCOc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3ccncc3)n2)cc1 12539872 RRKLWZUQZSXGHY-IBGZPJMESA-N 392.459 3.827 0 40 GHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c(OC)c1OC 12543907 GXRWRGFLPJKLBD-KRWDZBQOSA-N 396.365 3.841 0 40 GHAB COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc(OC)c1OC 12596453 QITDATXFFJCGGT-FQEVSTJZSA-N 378.428 3.627 0 40 GHAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)[C@H]1COc2ccccc2O1 12900775 JRHNULMFVDHOHV-KLXDDXCJSA-N 397.500 3.784 0 40 GHAB C[C@@H](OC(=O)Cc1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@H]1C 12933077 KNVGPEZGPPDQEJ-IOASZLSFSA-N 382.298 3.618 0 40 GHAB O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12993877 MVGAKTPXHSTSMS-MFUYTVRRSA-N 387.439 3.778 0 40 GHAB CCCCN1C(=O)N[C@H](c2ccccc2OC(F)F)C(C(=O)OCC)=C1C 13062851 ANUZJVWVUIBMBR-MRXNPFEDSA-N 382.407 3.992 0 40 GHAB COc1ccc(CCNC2=NN=C(c3ccc(Cl)cc3)CS2)cc1OC 13068742 AAAMQDTVIDJPCP-UHFFFAOYSA-N 389.908 3.996 0 40 GHAB CCOC(=O)N1CCN([C@H](C)C(=O)n2c3ccccc3c3ccccc32)CC1 14608358 OFXFYYKABUMVBB-MRXNPFEDSA-N 379.460 3.597 0 40 GHAB C[C@@H]1C(=O)[C@H](C)[C@@H]2N[C@@H]1c1ccccc1OCCOCCOc1ccccc12 15024175 AGAKQAUZOOAOIV-KFVVBQDRSA-N 381.472 3.701 0 40 GHAB CCN(CC)C(=O)CN(C)CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 15484828 PNNPWWWBWACFCS-UHFFFAOYSA-N 377.488 3.818 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)c1cc2cc(Br)ccc2oc1=O 16525098 BUAYPDYHGYGSKP-UHFFFAOYSA-N 384.189 3.684 0 40 GHAB O=S(=O)(NCC1(c2ccccc2)CCOCC1)c1ccc(F)c(Cl)c1 16971850 PIFYYUULUDXPIB-UHFFFAOYSA-N 383.872 3.506 0 40 GHAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1nc2ccccc2s1)c1ccc(F)cc1 19459827 ISXUCMPZCWUOIO-SJKOYZFVSA-N 385.464 3.880 0 40 GHAB Cc1nn(C[C@H](C)C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)c(C)c1C 19556713 WWODLUYKVWOGEA-KXBFYZLASA-N 387.499 3.901 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19566900 AXRDFYRZKVFZSG-QGZVFWFLSA-N 392.459 3.856 0 40 GHAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 19583514 PSENBZXLSLTLSJ-GFCCVEGCSA-N 389.406 3.531 0 40 GHAB Cc1nonc1COc1ccc(C(=O)Nc2ccc3c(c2)N(C)CCC3)cc1 19714317 SDYGYMNBKKGLMB-UHFFFAOYSA-N 378.432 3.592 0 40 GHAB COc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1OC 21364528 LSOPLBGGUXFXRG-UHFFFAOYSA-N 388.427 3.998 0 40 GHAB Cc1cccc(-n2nnnc2SCc2nc(-c3ccc(Cl)cc3)no2)c1 21999585 SQTXCFKFXDBNMK-UHFFFAOYSA-N 384.852 3.966 0 40 GHAB COc1cc(CCN2CCN([C@@H](C)c3ccccc3)CC2)cc(OC)c1OC 22859153 AEEUODCKQZIBMJ-SFHVURJKSA-N 384.520 3.634 0 40 GHAB COc1ccc(CN(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)C2CC2)cc1 23020784 FHCDIFNKJLVXGE-QGZVFWFLSA-N 398.528 3.800 0 40 GHAB CCC(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2OC)CC1 23181668 WNUHFYDYCLADRY-IIBYNOLFSA-N 387.549 3.535 0 40 GHAB COc1ccc(F)cc1CN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 24385640 FXKMLSVKNORBFP-UHFFFAOYSA-N 396.384 3.811 0 40 GHAB CCc1ccc(-c2csc(NC(=O)c3nc4nc(C)cc(C)n4n3)n2)s1 25737701 QFLYVKFWGQVLBB-UHFFFAOYSA-N 384.490 3.741 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc2c(c1)OCO2 27686318 JYYSGSFXVIGJFM-NVXWUHKLSA-N 395.459 3.537 0 40 GHAB COc1ccc2nc(C)c(C(=O)NC[C@@H]3CCN(c4ccccc4)C3)cc2c1 27834241 CGGCFSIZBRNDRN-KRWDZBQOSA-N 375.472 3.808 0 40 GHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2)C12CCCC2 32093212 QHFHQLSUEQUBDX-FQEVSTJZSA-N 396.462 3.963 0 40 GHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(COCC(F)(F)F)cc1 32869152 BRAYZXKMOALCPE-UHFFFAOYSA-N 392.377 3.910 0 40 GHAB COc1ccc(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)cn1 32909700 WNWCURADMTVBTN-UHFFFAOYSA-N 389.293 3.981 0 40 GHAB O=C1CN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2Cl)CCN1 32915406 VIBYUPYLKFWVHX-UHFFFAOYSA-N 398.677 3.835 0 40 GHAB CCOC(=O)c1sc2ncn([C@@H]3CCc4ccccc4N=C3O)c(=O)c2c1C 36359385 WIJVMLKXVIZMSB-CQSZACIVSA-N 397.456 3.719 0 40 GHAB Cc1ccc(-n2ncc([C@@H](C)NC(=O)c3cnn4c(C)cc(C)nc34)c2C)cc1 36393378 WINATSJHAJZYFQ-MRXNPFEDSA-N 388.475 3.640 0 40 GHAB CC(C)C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NC(C)C 36579964 SSLZIGVSCPVQOM-QGZVFWFLSA-N 398.532 3.756 0 40 GHAB Nc1c(-c2nc(-c3ccc4c(c3)OCO4)cs2)nnn1-c1ccc(F)cc1 38486896 GRIOMHLHSKTCPF-UHFFFAOYSA-N 381.392 3.508 0 40 GHAB Cc1nc(-c2ccc(CC(=O)NCCc3ccc4c(c3)OCO4)cc2)cs1 40073810 OYNCINDIBLKSGC-UHFFFAOYSA-N 380.469 3.749 0 40 GHAB CCSc1nnc(NC(=O)CCOc2ccc(Br)cc2)s1 40082065 KBMNMENITFSSKD-UHFFFAOYSA-N 388.312 3.820 0 40 GHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1nnc(C2CC2)s1 40119125 TVTPCGMIASKYMT-UHFFFAOYSA-N 382.493 3.664 0 40 GHAB Cc1noc([C@@H]2CCCN(C(=O)c3cccc(OCc4csc(C)n4)c3)C2)n1 40156249 AZZSWJKWGBNNHK-MRXNPFEDSA-N 398.488 3.742 0 40 GHAB Cc1cc(C(=O)Nc2nnc(SCc3cn4ccccc4n3)s2)c(C)o1 42379246 RWMWTYKHTXMZFE-UHFFFAOYSA-N 385.474 3.940 0 40 GHAB Cc1ccc(-c2cnn([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)c(=O)n2)cc1 44804074 HVXLLKLIYDATOY-KRWDZBQOSA-N 376.460 3.739 0 40 GHAB CSc1ccc(CN(C)C(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)cc1 46059535 UCJSFFVNLWHIKB-FQEVSTJZSA-N 388.508 3.580 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)c2csc(-c3ncccn3)n2)cc1OC 47246859 BJABJPFQRWOROR-HNNXBMFYSA-N 396.472 3.595 0 40 GHAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3nc4c(s3)CCC4)C2)c1 47828259 FHKQSSUIBMQLOI-CQSZACIVSA-N 384.505 3.823 0 40 GHAB CCN(CC)c1ccc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cn1 48176746 YDINLGCYIFQRPG-OAQYLSRUSA-N 382.508 3.905 0 40 GHAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(Br)o2)c1 49120913 VFRSLKVNGXJBGN-LLVKDONJSA-N 379.254 3.500 0 40 GHAB Cc1ccc(Cl)cc1S(=O)(=O)N1CC(c2nc(-c3cccs3)no2)C1 49483826 VWKHODCLIJCCAX-UHFFFAOYSA-N 395.893 3.548 0 40 GHAB O=C(c1cccc(Br)c1)N1CC(c2nc(-c3cccs3)no2)C1 49484113 DUZMVSKPXYGXBM-UHFFFAOYSA-N 390.262 3.800 0 40 GHAB Cc1c([C@@H](C)NC(=O)NC2CCN(C3CCN(C)CC3)CC2)oc2ccccc12 51761507 QKBWJQNZGRWKIT-QGZVFWFLSA-N 398.551 3.660 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)Cc2sc(S)nc2C)c(OC)c1 53692654 LPULYMHHZLEBAA-AWEZNQCLSA-N 378.519 3.664 0 40 GHAB CCOc1ccc(OCCN2CCC(C(=O)Nc3nc(C)cs3)CC2)cc1 54232871 YWVTUXDAMNWWGX-UHFFFAOYSA-N 389.521 3.580 0 40 GHAB Cc1ccccc1-n1ncc(C(=O)NCCc2cccc(O)c2)c1C(F)(F)F 60330381 OYZQLYQTSWSSTO-UHFFFAOYSA-N 389.377 3.878 0 40 GHAB Cc1c(C)c2ccc(OCC(=O)Nc3cccc4c3ccn4C)cc2oc1=O 62001437 KBPLQTPYOGDXGN-UHFFFAOYSA-N 376.412 3.919 0 40 GHAB biogenic CCCCOc1ccc(C(=O)OCC(=O)N[C@H](C)c2cccc(OC)c2)cc1 67197676 AQJGPARFXFAOLF-MRXNPFEDSA-N 385.460 3.908 0 40 GHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3C)c2C)c(Cl)c1 67323482 ZMKFKHKHORCBJE-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB O=c1cc([C@H]2CCCN(Cc3ccccc3Cl)C2)nc(-c2cccnc2)[nH]1 72393078 VQUUINIJDNOMHT-KRWDZBQOSA-N 380.879 3.865 0 40 GHAB Cc1nc(-c2cccc(NC(=O)c3ccc(-n4ccnc4C)nn3)c2)cs1 77197099 FHWFGJFGHJAJGP-UHFFFAOYSA-N 376.445 3.655 0 40 GHAB O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cnn2cccnc12 84372372 ZRKTVECGEVPOCS-LJQANCHMSA-N 378.382 3.721 0 40 GHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCCN1C[C@H](C)C[C@@H](C)C1 89520888 KVYGIGYLQLVEQX-HUUCEWRRSA-N 376.495 3.835 0 40 GHAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)[C@@H](C)C[S@](C)=O)cc3)o2)c1 96012196 JXKXYTPBDIQPJO-OHZJNBGDSA-N 397.500 3.551 0 40 GHAB O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1cccc2ccccc12 102938300 HOXQDOCVUHXVHU-IEBWSBKVSA-N 376.799 3.786 0 40 GHAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 219296188 RQYCLECACXBWBH-DNVCBOLYSA-N 389.517 3.687 0 40 GHAB COc1cccc2cc(C(=O)N3CCS[C@H](c4ccco4)CC3)c(=O)oc12 219401192 PEJLNVWXMPBFPK-KRWDZBQOSA-N 385.441 3.715 0 40 GHAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223868845 QNYHKUUZUJJFRT-CVEARBPZSA-N 389.517 3.858 0 40 GHAB CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224172831 NPHXWZPZLQUANJ-AWEZNQCLSA-N 378.469 3.569 0 40 GHAB Cc1cccc(N(CCCC(=O)NCC2CCCCC2)S(C)(=O)=O)c1C 224744433 QCDAKDZDVXDMEG-UHFFFAOYSA-N 380.554 3.546 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21 225724541 NMLBFBSMQGARCI-UHFFFAOYSA-N 380.535 3.642 0 40 GHAB Cc1cc([C@@H]2CCCCN2C(=O)c2cccnc2)nc(-c2c(C)noc2C)n1 257250392 JMIQPFZONKMYQB-SFHVURJKSA-N 377.448 3.819 0 40 GHAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(F)c2)CC1 257261162 LGAFSCHTIDYXOA-LTMIRXACSA-N 383.511 3.989 0 40 GHAB COCCOCC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257280992 ONFSKRIWNXPOAI-SFHVURJKSA-N 392.883 3.635 0 40 GHAB Cn1cc(CN2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 257327527 XBRZPUREGFPXSA-OAQYLSRUSA-N 382.895 3.633 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(Cc2cccnc2)C2CC2)[C@@H]1c1ccccc1F 257336532 YOWCYXMSDKVABL-KNQAVFIVSA-N 395.478 3.712 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)cn1 257337733 YUDOEGGHJAUFFJ-GOSISDBHSA-N 381.407 3.785 0 40 GHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2CN(Cc3ccccn3)C[C@H]21 306125072 CGGADPSHNCPTJG-FXAWDEMLSA-N 382.510 3.565 0 40 GHAB Cc1ccc(OCc2ccc(C(=O)NCC(=O)Nc3cccc(C)c3)o2)cc1 408562136 NCVURNVSZKAJMW-UHFFFAOYSA-N 378.428 3.844 0 40 GHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)ccc1C 408625372 SHSXMLUCXYAZRV-UHFFFAOYSA-N 396.896 3.598 0 40 GHAB CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409193107 BUGTYPXOHQUFTL-BRYHAGSVSA-N 380.444 3.965 0 40 GHAB Cc1cc(CN2CCC[C@]3(CCCN3C(=O)c3cc(C(C)C)on3)CC2)n(C)n1 585100841 YNRAXWUTJKMHAK-QFIPXVFZSA-N 399.539 3.501 0 40 GHAB Cc1cccc(CN2CCOC[C@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)c1 585104776 SZGNEPFJFYQHTA-HYBUGGRVSA-N 378.516 3.807 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)s2)cc1 585148245 UCEVDOVRMMORHR-CQSZACIVSA-N 387.482 3.727 0 40 GHAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@@H](CO)C(C)C)c(C)c3cc2c1C 606440422 LIKLOJXCSFLDAV-IBGZPJMESA-N 399.487 3.839 0 40 GHAB biogenic CCC1(CNC(=O)N2CC[C@@]3(CCCOC3)C2)CCN(Cc2ccccc2)CC1 671212285 CJZJSPSMSKSEFK-DEOSSOPVSA-N 399.579 3.891 0 40 GHAB CN1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)c3ccsc3)C2)C1 1614946735 AZXQJCBFVPJKKW-JOCHJYFZSA-N 392.528 3.689 0 40 GHAB CCc1ncnc(N(C)CC2CCN(c3ncnc4sccc34)CC2)c1F 1888903800 HKLLYXKSOUNZDN-UHFFFAOYSA-N 386.500 3.536 0 40 GHAB O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccccc1 666016 BJVHRSRVKJYSBN-UHFFFAOYSA-N 394.496 3.736 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)cc1 792277 LJVFIVOMEILGCY-OAHLLOKOSA-N 392.908 3.688 0 40 GHAB CC[C@H](C)NC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 2258065 NPKHDGXWOKDXQL-LBPRGKRZSA-N 377.423 3.823 0 40 GHAB O=C(Nc1cccc2ccccc12)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 2676479 RBXDFWLUVHTLMX-SFHVURJKSA-N 394.496 3.879 0 40 GHAB O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2 3239779 SHUOCKBMIAPQCD-UHFFFAOYSA-N 395.436 3.843 0 40 GHAB Cc1cccc(C)c1OCc1nnc(S[C@@H]2CCOC2=O)n1-c1ccccc1 3406538 CFSJIZWWLVKADO-QGZVFWFLSA-N 395.484 3.871 0 40 GHAB CNC(=O)NC(=O)[C@H](C)Sc1cc(-c2ccccc2)c2ccc(OC)cc2n1 3429334 BGAKIWLQPKCCMI-ZDUSSCGKSA-N 395.484 3.847 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(C)c1 4734774 QAHFYMPZMYRUKZ-HXUWFJFHSA-N 377.444 3.823 0 40 GHAB COc1cc(C=O)cc(I)c1OCc1cccc(F)c1 4739352 QONFFXSSBPOTDG-UHFFFAOYSA-N 386.160 3.830 0 40 GHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc1OC 5008338 WZHOEAYIQVTWMT-HXUWFJFHSA-N 395.459 3.587 0 40 GHAB COCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1 5045859 TWEDKWXYZRHCDJ-UHFFFAOYSA-N 396.516 3.939 0 40 GHAB COc1ccccc1OCC(=O)NCCc1csc(-c2cccc(F)c2)n1 5137542 IGKSHNVZTJJJQA-UHFFFAOYSA-N 386.448 3.696 0 40 GHAB CCOc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 5401612 OYHRDQBJGLBGJA-UHFFFAOYSA-N 377.444 3.565 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2O)n[nH]1 5484642 YNFWZXWMGUZHIN-UHFFFAOYSA-N 390.852 3.570 0 40 GHAB CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 5819930 YMRWVEHSLXJOCD-FZWFKSOLSA-N 382.541 3.679 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1 5861246 DFURLMXHVJHBHE-UHFFFAOYSA-N 378.222 3.643 0 40 GHAB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccncc1 6323750 FGBNUCSGCKLPCT-CIAFOILYSA-N 385.265 3.779 0 40 GHAB O=C(COc1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 6585727 RTHWCOYMEHRFKX-KRWDZBQOSA-N 398.768 3.606 0 40 GHAB O=C(CSc1ccccc1C(=O)N1CCc2ccccc21)NCc1ccco1 6850895 XMHFEBFXMCDDLB-UHFFFAOYSA-N 392.480 3.891 0 40 GHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2)cc1 6880315 UIRIFXWYIUUXKX-UHFFFAOYSA-N 380.897 3.600 0 40 GHAB Cc1cc(C)cc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)c1 6963433 FYSZEKDBCPXMMH-FNUHDPNESA-N 377.488 3.913 0 40 GHAB Cc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n(C2CCCC2)c1C 7139933 LNUZVPRCLXZUPW-UHFFFAOYSA-N 387.505 3.752 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(COc3ccccc3C)n[nH]2)c1C 7537241 JUPGCXRWWDJZTC-UHFFFAOYSA-N 398.488 3.815 0 40 GHAB CC(C)[C@@H](NCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 8004085 AIBGAKZPHBZJFR-JOCHJYFZSA-N 383.467 3.878 0 40 GHAB CCOc1ccc(CN(C)Cc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1 8026288 LVLBFQCRZJVCBK-UHFFFAOYSA-N 378.480 3.537 0 40 GHAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)cc1C 8034400 MTOOHBPCPVRUHN-UHFFFAOYSA-N 375.266 3.743 0 40 GHAB CCc1ccccc1N1C[C@@H](C(=O)N[C@@H]2CCSc3ccccc32)CC1=O 8315300 QSIRIWNIUYUMSI-FUHWJXTLSA-N 380.513 3.955 0 40 GHAB COCCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2cccc(Cl)c2C)n1 8476663 FJWNQIUWRVJRKF-UHFFFAOYSA-N 398.894 3.971 0 40 GHAB Cc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1 8550469 RKOIUVZIDJDDLN-OAQYLSRUSA-N 390.483 3.825 0 40 GHAB CCc1nnc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)s1 8726776 VELFNQITUZARFU-UHFFFAOYSA-N 397.382 3.741 0 40 GHAB Cc1ccc(F)cc1NC(=O)CN(C)CCOc1ccc(Br)cc1 8772329 QNFIZJMRWWLDDY-UHFFFAOYSA-N 395.272 3.846 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccccc1)S2 9294983 WALNJZNBNAKOMQ-OALUTQOASA-N 393.516 3.937 0 40 GHAB COc1ccc(C)cc1CN(C)C(=O)Cn1c(S)nnc1-c1cccc(C)c1 9918818 IPWXUQGACOAOHC-UHFFFAOYSA-N 396.516 3.518 0 40 GHAB COc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)cc1Br 10110769 CKIBUQFIHQIRHF-UHFFFAOYSA-N 398.322 3.677 0 40 GHAB O=C(Nn1cnc2scc(-c3ccco3)c2c1=O)c1cc2ccccc2o1 11208539 OLCOLNDJDLWNJZ-UHFFFAOYSA-N 377.381 3.848 0 40 GHAB Cc1ncc(CN2Cc3ccccc3OC3(CCC(CN(C)C)CC3)C2)cn1 12122670 GWTBCGLVPQKLAS-UHFFFAOYSA-N 380.536 3.670 0 40 GHAB COc1cccc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c1 12238711 JVGFAFVHKZMDEA-HXUWFJFHSA-N 388.471 3.991 0 40 GHAB Nc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2nc(-c3ccccn3)ccc12 12360632 BTFJMNVLAFCTNV-UHFFFAOYSA-N 390.424 3.922 0 40 GHAB Cc1cccc(NC(=O)NC(=O)CNc2ccc(OC(F)(F)F)cc2)c1C 12527277 OFDZMHZJXXGDPR-UHFFFAOYSA-N 381.354 3.962 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CSc3ccc(F)c(F)c3)CC2)cc1 12557536 KFRMRNAFGHOSEH-UHFFFAOYSA-N 390.455 3.608 0 40 GHAB Cc1cc(C)cc(OCCCN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1 12599299 NDJAJCCWKREMAW-HSZRJFAPSA-N 378.472 3.856 0 40 GHAB C[C@@H](NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1)c1ccc(F)cc1 12600889 KHMFAOUYXQZMSN-CYBMUJFWSA-N 397.479 3.784 0 40 GHAB COc1ccc(CN(C)C(=O)CSc2nc3cc(C)ccc3[nH]2)cc1OC 12631107 YVGHUTMWAOKEAB-UHFFFAOYSA-N 385.489 3.639 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12772868 RPUWIIWVYMGUJG-HNNXBMFYSA-N 395.528 3.913 0 40 GHAB CN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1cccc(Cl)c1 12789217 PWXXZIVPDIXSFK-UHFFFAOYSA-N 394.302 3.522 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1sccc1S(=O)(=O)N1CCCCC1 12798460 IIFGRFRAELLFIP-UHFFFAOYSA-N 384.910 3.828 0 40 GHAB COc1cc(OC)c(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1OC 12861105 HDLOICWTWMIVLQ-UHFFFAOYSA-N 388.445 3.667 0 40 GHAB Cc1ccc(-c2csc(NC(=O)Cn3c(C)nc4ccccc4c3=O)n2)cc1 12928174 SRCCRLFOPBJRKC-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccc(N2CCCC2=O)cc1 12981806 XYQISUDLSKGVSB-UHFFFAOYSA-N 375.428 3.707 0 40 GHAB CC[C@@H](C)N1CCC(=O)N(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 13020343 IFJIVYUYNKVZEJ-YLJYHZDGSA-N 396.487 3.546 0 40 GHAB O=S(=O)(NCCCN1CCc2ccccc21)c1cc(Cl)ccc1Cl 13670962 RAHAWXSWBJFUCD-UHFFFAOYSA-N 385.316 3.725 0 40 GHAB CC[C@H](C(=O)Nc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714394 NDTVCVRFDQMDKQ-MRXNPFEDSA-N 384.860 3.662 0 40 GHAB Cc1ccc2c(COC(=O)c3ccc(OCC(F)(F)F)nc3)cc(=O)oc2c1 14168728 HKIFVHAJUCCPKG-UHFFFAOYSA-N 393.317 3.795 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(OC(F)F)cc2)cc1OC 14929130 LTQXXSDETLYXGJ-CYBMUJFWSA-N 394.418 3.764 0 40 GHAB Cc1ccc(F)c(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 15569177 VOWHUMYDVKVVLB-UHFFFAOYSA-N 385.464 3.882 0 40 GHAB Cc1ccc(C(=O)NCC(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)cc1 18761606 QZIGKQSQAOOXFS-UHFFFAOYSA-N 384.819 3.777 0 40 GHAB C[C@H]1C[C@@H]1C(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 19495784 BYRURXNSASYPEX-YOEHRIQHSA-N 396.466 3.549 0 40 GHAB Cc1nc([C@H]2CCCCN2CC2CC2)nc2c1CCC(=O)N2Cc1ccccn1 19698481 WNBSBEQUEGDEFU-HXUWFJFHSA-N 391.519 3.596 0 40 GHAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccccc2)C1 19701951 HQDXEIPXDVCJRC-QGZVFWFLSA-N 395.528 3.662 0 40 GHAB O=C(COc1ccc(F)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 19935099 MYLBUQRQPQDBAG-UHFFFAOYSA-N 382.357 3.572 0 40 GHAB CCCCCCn1c(=N)n(C[C@@H](O)COc2ccc(OC)cc2)c2ccccc21 20324270 SHYPCUXQOHFXGM-GOSISDBHSA-N 397.519 3.951 0 40 GHAB O=C(CSc1nnc(Cc2c[nH]c3ccccc23)o1)N1CCc2ccccc21 21682023 PRIYVQSXMOROIB-UHFFFAOYSA-N 390.468 3.823 0 40 GHAB O[C@H](CN1CCN(Cc2csc(-c3ccccc3)n2)CC1)c1ccccc1 22809678 XXFDCYCGSPJFEI-OAQYLSRUSA-N 379.529 3.661 0 40 GHAB COCCn1c(SCc2cc(-c3ccccc3)on2)nnc1-c1ccncc1 22987996 NURVVYUVTPNABH-UHFFFAOYSA-N 393.472 3.934 0 40 GHAB CCc1cccc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)c1 23119176 MLURJCZYVUWEON-UHFFFAOYSA-N 381.432 3.951 0 40 GHAB COCc1c(C(=O)N2CCN(Cc3ccccc3C)CC2)oc2ccccc12 23638388 UWSGHRJDIQKFNO-UHFFFAOYSA-N 378.472 3.846 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)/C=C/c1ccc(Br)o1)c1ccccc1 23773787 UBRXKOOLOIKLEF-VMSUTVGLSA-N 386.249 3.695 0 40 GHAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2cccc3ccccc23)CC1 23936837 NSYAXKTTYGELDZ-UHFFFAOYSA-N 397.478 3.639 0 40 GHAB COc1cccc(-c2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)c1OC 24840198 VLVYQCZFMWUZPC-UHFFFAOYSA-N 391.537 3.676 0 40 GHAB COc1ccccc1[C@@H](C)N(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 25109592 YTDVLKOHZKQYLG-OAHLLOKOSA-N 376.497 3.862 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 26528997 OPLHRWJYYUPAIC-UHFFFAOYSA-N 393.770 3.946 0 40 GHAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1cc2c(cc1Cl)OCO2 27220471 JKESIPQVNNDMAF-UHFFFAOYSA-N 391.214 3.864 0 40 GHAB C[C@H](NC(=O)CSc1nc2sccc2c(=O)n1C)c1cc2ccccc2o1 27308358 LJRYJIMOSQZLNV-NSHDSACASA-N 399.497 3.711 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 27657271 MTEVBKBKWKTGPX-UHFFFAOYSA-N 396.796 3.957 0 40 GHAB COc1ccc2nc(C)c(C(=O)N3CCN(c4ccccc4OC)CC3)cc2c1 29688495 UBRXVXLYWKOOTE-UHFFFAOYSA-N 391.471 3.523 0 40 GHAB Cc1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3C)C2)s1 30616601 OLVZQCWUGFVHAT-NSHDSACASA-N 394.294 3.514 0 40 GHAB C[C@@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 32929732 IWOSRRMPMUJQFT-KRWDZBQOSA-N 387.545 3.946 0 40 GHAB COc1cccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)c1 33088989 PSOOVEUFFQTDIJ-UHFFFAOYSA-N 399.244 3.581 0 40 GHAB O=C(c1cccc(Br)c1)N1CCCN(Cc2cccs2)CC1 36396267 DAGMMESTHNAANX-UHFFFAOYSA-N 379.323 3.859 0 40 GHAB O=C(CCSc1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38946512 OEVLTWZWARNANO-NHCUHLMSSA-N 394.540 3.643 0 40 GHAB CCOc1cc2c(cc1CNC(=O)c1cccc(Cn3ccnc3)c1)O[C@@H](C)C2 40115479 ZRQUKZOTMNHZTM-INIZCTEOSA-N 391.471 3.584 0 40 GHAB O=S(=O)(c1ccc(CN2CCC[C@@H]2CCc2ccccc2)o1)N1CCCC1 40153652 VVOAWFBEVAZSIS-LJQANCHMSA-N 388.533 3.661 0 40 GHAB CCCOc1ccc(C(=O)Nc2nn3c(-c4cccs4)nnc3s2)cc1 41008840 QTVVQUMQWAEOKA-UHFFFAOYSA-N 385.474 3.955 0 40 GHAB Cc1nc(NC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)sc1C 49551528 JULNUQVJRFEJSZ-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB CCn1nc(C(=O)N2CCC[C@H]2CCc2ccccc2)c2ccccc2c1=O 55484302 GVOXVWCJTBLSSL-SFHVURJKSA-N 375.472 3.654 0 40 GHAB CC(C)[C@H](C(=O)NCc1ccc2c(c1)OCO2)n1cnc2cc(F)c(F)cc21 61341572 WQAKIHGZSUPCIJ-LJQANCHMSA-N 387.386 3.557 0 40 GHAB COC(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(Cl)c1 65568396 DWRDTZWPCWQRTI-UHFFFAOYSA-N 386.835 3.896 0 40 GHAB CCc1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C(C)C 67235935 CYJNIEAVVWWCMC-UHFFFAOYSA-N 384.505 3.907 0 40 GHAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)N1CCC[C@@H](CO)C1 67645294 GUSKBUHTJWROAK-OAHLLOKOSA-N 384.442 3.931 0 40 GHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(C)c3C)c2C)cc1F 71327164 KWWZHHVWYVKOMR-UHFFFAOYSA-N 395.438 3.542 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)CN[C@H](c2ccccc2)C(C)(C)C)cc1 71822708 WLRCPFXMDIRDDT-JOCHJYFZSA-N 381.520 3.769 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCCC3)nc2)cc1 72215960 DVPVYXQFKHYPHF-HXUWFJFHSA-N 385.533 3.906 0 40 GHAB Cc1nccc(-c2ccc(-c3noc(CN4CC[C@H]5CCCCN5C4)n3)cc2)n1 72339981 SWDMXWCPUJACRI-LJQANCHMSA-N 390.491 3.520 0 40 GHAB Cc1n[nH]cc1C(=O)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72349755 SZBRIKTVKXHOKE-UHFFFAOYSA-N 378.451 3.863 0 40 GHAB Cc1cnc(C(=O)N2CCC(c3cncc(Oc4cccc(F)c4)n3)CC2)cn1 72362509 LKILRBIPJONBMD-UHFFFAOYSA-N 393.422 3.526 0 40 GHAB CN1CCC[C@H](c2cccc(CC3(C(=O)Nc4nccs4)CCOCC3)c2)C1 72372239 WFIBNKCJALTPHC-IBGZPJMESA-N 399.560 3.930 0 40 GHAB O=C(CN1CCC(COCc2ccc(F)cc2)CC1)N1CCc2ccccc21 77191529 XMYALJOJVCKGPF-UHFFFAOYSA-N 382.479 3.644 0 40 GHAB NC(=O)[C@H]1CCN(C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)C1 84452346 OJAMAHQDUGPPPB-ZETCQYMHSA-N 376.787 3.521 0 40 GHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1CC(=O)NCCc1c(F)cccc1F 84718148 HCCPEJMFBJOZQR-CQSZACIVSA-N 383.442 3.724 0 40 GHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)C[C@@H]1OCCc2ccsc21 95349320 YFIJJRNZPRKWFW-FQEVSTJZSA-N 395.528 3.995 0 40 GHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 95482512 YHSDOORKUXKFCG-LJQANCHMSA-N 395.459 3.836 0 40 GHAB CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(F)cc(F)c2)cc1 95956685 STCYPHQXGGJIOU-LJQANCHMSA-N 386.398 3.801 0 40 GHAB O=C(C[C@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21)NC1CC1 96052990 LAMGKOPREVNJJZ-SFHVURJKSA-N 375.516 3.771 0 40 GHAB FC(F)(F)c1cccc(O[C@H]2COCCN(c3nc4ccccc4o3)C2)n1 96113232 CMPFJALVYZOSCK-GFCCVEGCSA-N 379.338 3.526 0 40 GHAB biogenic,in-vitro O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccccc1Cl 96121444 FLUKTJOTKXAWAZ-UHFFFAOYSA-N 380.879 3.907 0 40 GHAB Cc1nn(C(C)C)c(C)c1CN1[C@@H]2CC[C@@H]1c1cnc(N3CCCC3)nc1C2 100755933 QEMNTEWXELSSSS-DYESRHJHSA-N 380.540 3.733 0 40 GHAB O=C(CSC1CCCC1)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101323033 CMUZZZSAWBEGNP-HOTGVXAUSA-N 393.574 3.658 0 40 GHAB CCN1CCCC[C@@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 104317537 QVBRSUBKBMNDHQ-GOSISDBHSA-N 398.469 3.744 0 40 GHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 105725031 BCTVDXJDRNLMQI-ZOBUZTSGSA-N 394.437 3.816 0 40 GHAB CC(C)(C)NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 113940936 HWCWWZYFIKNQAP-UHFFFAOYSA-N 398.887 3.589 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 218922437 AIMLLKWZZOPNST-OAHLLOKOSA-N 377.868 3.928 0 40 GHAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCCc1ccc(OC)cc1 222753332 KFCLXCMLNPTUHY-GOSISDBHSA-N 382.504 3.571 0 40 GHAB C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 222761111 GOTVHQXTERCLNT-FQEVSTJZSA-N 386.495 3.963 0 40 GHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 222887813 WRTXOIKZYOUVLF-UXHICEINSA-N 378.501 3.960 0 40 GHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c1 223839238 JFNVNZLVFZHGGO-UHFFFAOYSA-N 389.473 3.904 0 40 GHAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1C 224245324 RPKNVHJMJLUZFH-GOSISDBHSA-N 394.924 3.536 0 40 GHAB CCOc1ccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1Cl 224850215 SYBOZHGYOJJNER-UHFFFAOYSA-N 386.879 3.791 0 40 GHAB COc1cccc(NC(=O)CCc2ncc(-c3ccc(OC)cc3OC)o2)c1 224868795 HLEZKFOQXNVKPZ-UHFFFAOYSA-N 382.416 3.939 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C 225033662 AZUSOKBGERJECT-LJQANCHMSA-N 396.531 3.798 0 40 GHAB CCOc1cc(CNC(=O)c2ccc(Cn3ccnc3C)cc2)ccc1OC 225298878 RMYFTPXXNNXHMR-UHFFFAOYSA-N 379.460 3.577 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1[C@@H]2CC[C@]3(CC(=O)c4ccccc4O3)[C@H]21 248256951 ORISSLNKJICDTB-YGSNNKKDSA-N 391.467 3.933 0 40 GHAB CCCc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)n(C)n1 257246955 IWRXNKDSJBIDHP-SFHVURJKSA-N 392.503 3.971 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCCc2ccc(OC)cc2)[C@@H]1c1ccccc1C 257343308 ZSIVAQPNYZPMLN-GGAORHGYSA-N 394.515 3.662 0 40 GHAB c1cc(-c2ccc3nc([C@@H]4CCCN(Cc5nccs5)C4)nn3c2)ccn1 306140668 VAFJJLNOMPCUOX-QGZVFWFLSA-N 376.489 3.627 0 40 GHAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccccc1CC 408644887 IDCLOUVVCSIHCS-UHFFFAOYSA-N 382.460 3.712 0 40 GHAB CCCCOCc1c(I)cnn1CCC(F)(F)F 408716417 MSXHBVCNJCFQDA-UHFFFAOYSA-N 376.160 3.757 0 40 GHAB COc1ccc(-c2c(C)s/c(=N\S(=O)(=O)c3ccc(C)cc3)n2C)cc1 409198390 FLJCFSODTNRWJL-VXPUYCOJSA-N 388.514 3.669 0 40 GHAB CCn1cc(S(=O)(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)nc1C 502436111 HKSOPCYFPHBXQF-HXUWFJFHSA-N 381.501 3.548 0 40 GHAB Fc1ccc(C(F)(F)c2noc(-c3cnnn3-c3cccc(F)c3)n2)cc1 521509217 SVBBKYRTIHNIRY-UHFFFAOYSA-N 375.285 3.736 0 40 GHAB O=C(NCCc1cnc2c(Cl)cnn2c1)N[C@@H]1CCc2cc(Cl)ccc21 527970969 JXGOOPYVOSYAPY-MRXNPFEDSA-N 390.274 3.565 0 40 GHAB COc1cc(C(=O)O)c(NC(=O)OCc2ccccc2)cc1Br 536958861 LESMXNYWQSWKOH-UHFFFAOYSA-N 380.194 3.905 0 40 GHAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cn1 556650974 VWLKFYXIPBEDEM-ZWKOTPCHSA-N 377.492 3.705 0 40 GHAB CSCC[C@@H](NC(=O)CCCn1c(C)ccc1C)c1nnc2ccccn12 575443233 MWSFFPUMFGCHHC-QGZVFWFLSA-N 385.537 3.538 0 40 GHAB COc1ccc(CN2C(=O)N[C@](C)(c3ccc4cc(OC)ccc4c3)C2=O)cc1 578089492 PIYXGNJXQDNQNR-HSZRJFAPSA-N 390.439 3.824 0 40 GHAB Cc1ccncc1CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 614529562 SUMAYMGWEXZXSK-BJKOFHAPSA-N 385.511 3.717 0 40 GHAB CC[C@@H]1CCO[C@@H]1C(=O)N(C)c1nccc(-c2sccc2Br)n1 685939029 MTBUEUVLODGUAQ-MFKMUULPSA-N 396.310 3.746 0 40 GHAB CCOc1ccc(CN2CCC(Oc3ncc(Br)cn3)CC2)cc1 1203969127 TZJALJHWZUOVRQ-UHFFFAOYSA-N 392.297 3.681 0 40 GHAB O=S(=O)(N[C@H]1CCN(Cc2ccsc2)C1)c1c(Cl)cccc1Cl 1565523767 VEFDKSJEBWUENR-LBPRGKRZSA-N 391.345 3.608 0 40 GHAB Cc1nc(C(=O)Nc2cscc2S(=O)(=O)c2ccc(Cl)cc2)co1 2037846141 QNADZEOFOUXLGW-UHFFFAOYSA-N 382.850 3.783 0 40 GHAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N[C@H](C)c1cccc(-n2cccc2)c1 2804554 SZYZZSUKRBLBJB-GFCCVEGCSA-N 394.447 3.725 0 40 GHAB COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)C2CC2)cc1 12322294 QIFJRDPPGQRWNJ-UHFFFAOYSA-N 390.505 3.876 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)Cc1csc(-c2cccc(F)c2)n1 22464560 FSUDWYQTZMYGDN-GUYCJALGSA-N 390.480 3.730 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@H](C)N2CCCCC2)sc2c1CC[C@@H](C)C2 3345262 YNLGXYAZMOHRJF-KGLIPLIRSA-N 378.538 3.863 0 40 GHAB Cc1cnc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 3467256 VOKUWZMSMOVHLL-HNNXBMFYSA-N 377.400 3.761 0 40 GHAB CCCCn1nc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)ccc1=O 22914218 XIDMPHMXQUOFQL-UHFFFAOYSA-N 387.443 3.839 0 40 GHAB CCC(C)(C)n1nnnc1[C@H](c1cc(OC)ccc1OC)N1CCC(C)CC1 4847714 IMERRAHZSPOWPG-IBGZPJMESA-N 387.528 3.657 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)N2CCCC2)n1CCc1ccccc1 4860240 OOFDGPYQQPKZKV-UHFFFAOYSA-N 396.516 3.804 0 40 GHAB COc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 6622995 PUAKSDTUOHTHAK-CQSZACIVSA-N 396.472 3.598 0 40 GHAB COC(=O)c1ccc(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2C)cc1 7615745 FAQKJZRNWRYRFD-UHFFFAOYSA-N 395.806 3.733 0 40 GHAB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3ccc(Cl)cc3)cc21 8594584 GZZKZPFURWWWJM-UHFFFAOYSA-N 398.894 3.773 0 40 GHAB CCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2nc3ccccc3s2)CC1 57615724 KURZMZMUFPTZFX-MRXNPFEDSA-N 399.568 3.701 0 40 GHAB CCCN(C[C@@H]1CCCCO1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 106696710 MMWWEMHNMQFJBB-NRFANRHFSA-N 392.503 3.901 0 40 GHAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 57024572 PPWPPTSTHDTUNP-LJQANCHMSA-N 393.531 3.964 0 40 GHAB CC(C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1 57488110 MVQZGPFJEAGIIY-UHFFFAOYSA-N 393.921 3.717 0 40 GHAB CSc1nc(C)c(CCC(=O)OCc2cc(=O)oc3cc(C)ccc23)c(C)n1 26705599 QRJXWYZSZMCRES-UHFFFAOYSA-N 398.484 3.906 0 40 GHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1ccccc1OC(F)F 10115176 OZYOUJKHLIONCB-UHFFFAOYSA-N 383.778 3.572 0 40 GHAB CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 27664193 MEKXVAVOBCCMQS-OIISXLGYSA-N 381.563 3.502 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c(C)c2c1 101850162 JFVXXFIRLHPRNA-ADAWSYLGSA-N 385.460 3.848 0 40 GHAB CC(=O)N[C@@H]1C(=O)N(Cc2cccc(Cl)c2)c2ccc(Br)cc21 101405715 RMFRODBLIDPSHD-INIZCTEOSA-N 393.668 3.827 0 40 GHAB CCOc1ccccc1-c1noc(Cn2cnc3ccc(Cl)cc3c2=O)n1 11182988 UJBHMDHBUJSYFC-UHFFFAOYSA-N 382.807 3.547 0 40 GHAB CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1 2414753 JDTUUUKSMAGYRR-GOSISDBHSA-N 382.847 3.553 0 40 GHAB CC(=O)N1CCN([C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 29449958 DIZZNDLYPXWBDL-MRXNPFEDSA-N 396.922 3.963 0 40 GHAB C[C@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1cc2ccccc2o1 12788524 DGEZZTNYKVKBPC-NSHDSACASA-N 377.849 3.981 0 40 GHAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1 2615953 ATFYKNHZUNNERF-UHFFFAOYSA-N 388.272 3.601 0 40 GHAB O=C(CSc1ncnc2sc3c(c12)CCCC3)NC(=O)Cc1ccccc1 2636614 FWOMMXMZNZHYKD-UHFFFAOYSA-N 397.525 3.548 0 40 GHAB O=C(c1ccccc1OCC(=O)N1CCCc2ccccc21)N1CCCCC1 3344825 GBBXPFVNVKTUHU-UHFFFAOYSA-N 378.472 3.671 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12972371 VMJYXBMFNRSSEZ-CQSZACIVSA-N 379.435 4.000 0 40 GHAB CCc1ccc2nc(NC3=NCN(Cc4ccc(Cl)cc4)CN3)nc(C)c2c1 19325516 ZQLVPWPYMJWMDT-UHFFFAOYSA-N 394.910 3.942 0 40 GHAB COc1cccc(NC(=O)[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c1 13570435 BIDSRLTXYPNXKM-INIZCTEOSA-N 391.471 3.596 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)CNc1cc(Cl)c(OC)cc1OC 9155692 FHUFIARRFQCJKW-UHFFFAOYSA-N 392.839 3.585 0 40 GHAB CC[C@H](C)[C@H](N)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 13749816 KABOXXWBHJEGRM-ZANVPECISA-N 399.314 3.609 0 40 GHAB COc1ccccc1-c1nn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2s1 4383994 PWKSUGJATWIKIF-UHFFFAOYSA-N 398.444 3.554 0 40 GHAB CCc1nc2ccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2nc1CC 24671789 ZPYMKGPVCHCUGE-UHFFFAOYSA-N 394.450 3.604 0 40 GHAB O=c1ccc(C(F)(F)F)cn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 14093857 JJWAWXVBUHZBIV-UHFFFAOYSA-N 389.255 3.984 0 40 GHAB CCc1cccc(C)c1NC(=O)COC(=O)/C=C/c1ccc(OC)c(OC)c1 6406780 GYLADXRSHYRLKW-ZRDIBKRKSA-N 383.444 3.770 0 40 GHAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1nnc2ccccn12 5484344 RKSWVYLLVXHNSA-WDEREUQCSA-N 379.247 3.681 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(SC)c2)cc1OC 5404818 YPSRFFVUHFOUKA-CSKARUKUSA-N 387.457 3.621 0 40 GHAB Cc1cccn2cc(CSc3nnc([C@H]4COc5ccccc5O4)n3C)nc12 6582741 NKXKDILBAVOBHA-QGZVFWFLSA-N 393.472 3.576 0 40 GHAB O=S(=O)(c1c(F)cc(F)cc1Br)N1CCCc2ccccc21 6507210 HOFDKOKDYDRJAY-UHFFFAOYSA-N 388.233 3.869 0 40 GHAB O=C(Nc1ccc(I)cc1F)C(Cl)(Cl)Cl 408619895 CZVZJEBKEBOQDX-UHFFFAOYSA-N 382.387 3.739 0 40 GHAB O=c1c2ccccc2n2c(-c3ccccc3O)nnc2n1CCc1ccccc1 6781236 DPVFQGIRULJQJU-UHFFFAOYSA-N 382.423 3.660 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)c1cccnc1Oc1ccc2c(c1)OCO2 15085248 UEVZCGXKYRVJFZ-UHFFFAOYSA-N 392.367 3.626 0 40 GHAB O=C(c1ccccc1)c1ccc(OC[C@@H](O)CNCc2ccc(F)cc2)cc1 6936440 WEVNGECEEHLLOR-NRFANRHFSA-N 379.431 3.586 0 40 GHAB Cc1c(-c2nsc(NC(=O)c3cccs3)n2)nnn1-c1ccccc1F 67225434 MWQUQNNHLXHCFL-UHFFFAOYSA-N 386.437 3.547 0 40 GHAB Cc1cc(C)c2c(=O)[nH]c([C@H]3CCCN(C(=O)CC[C@H]4CCCO4)C3)cc2c1 72350712 RSICWTSHSWCMFC-PKOBYXMFSA-N 382.504 3.810 0 40 GHAB COc1ccccc1NC(=O)[C@]1(c2ccco2)CC(=O)N1c1ccc(C)cc1 15412822 LRYJUZRZOWIMKH-JOCHJYFZSA-N 376.412 3.868 0 40 GHAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 7255353 NOUXCIFOGSVMHK-IZZDOVSWSA-N 389.835 3.942 0 40 GHAB O=S(=O)(Nc1ccc(F)cc1Br)c1ccc2c(c1)CCCO2 95458711 NNZQRRQKVKKDSW-UHFFFAOYSA-N 386.242 3.714 0 40 GHAB CN(C)[C@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 8036784 VLFKFDDIMJNEED-JOCHJYFZSA-N 378.516 3.947 0 40 GHAB COc1ccc(-c2nc(C(=O)O[C@H](C(=O)N(C)C)c3ccccc3)cs2)cc1 8005354 CUUAGPHSUDSQFT-SFHVURJKSA-N 396.468 3.805 0 40 GHAB O=C(Cn1ncc2ccccc2c1=O)NCCC(c1ccccc1)c1ccccc1 8240806 UNEMADFWBWWZSV-UHFFFAOYSA-N 397.478 3.735 0 40 GHAB O=c1oc2c(Cl)cc(Br)cc2n1Cc1noc(-c2ccoc2)n1 95444416 QISYDUAQECGICZ-UHFFFAOYSA-N 396.584 3.702 0 40 GHAB COc1cccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)c1 17086276 WQBJEXQJOYGCTE-SFHVURJKSA-N 395.850 3.868 0 40 GHAB COc1ccc(OC)c(N2C(=O)/C(=C/NCCC(C)C)c3ccccc3C2=O)c1 8560423 AAVNTFHUOOWBHH-XMHGGMMESA-N 394.471 3.867 0 40 GHAB CCc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1-c1ccc(OC(F)F)cc1 19911113 MGERCLCEGHYEDK-UHFFFAOYSA-N 394.328 3.962 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1cnn(Cc2c(F)cccc2Cl)c1 28229452 RFZIHMJEABSISK-UHFFFAOYSA-N 389.814 3.993 0 40 GHAB O=C(CSc1cc(Cl)ccc1Cl)Nc1cccc(-c2nnn[nH]2)c1 70731265 OKLGJIPWJHQVLW-UHFFFAOYSA-N 380.260 3.904 0 40 GHAB Cc1ccccc1C(=O)Nc1nc(-c2nnn(-c3ccccc3)c2C)ns1 9638801 GGTZPACNKXEHED-UHFFFAOYSA-N 376.445 3.655 0 40 GHAB C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 72071440 AWPRGSYIAXQLGP-LLVKDONJSA-N 393.814 3.935 0 40 GHAB Cc1cc(C[S@](=O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)on1 84124414 ZMIXQCNJVSKQNY-OLUQVHSISA-N 394.802 3.931 0 40 GHAB CCCn1cc(CN2CCCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cn1 89960714 MRMKELWOSCNOAR-UHFFFAOYSA-N 399.539 3.820 0 40 GHAB CSc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c1 408602199 IHTCFPXATMRFIG-UHFFFAOYSA-N 390.530 3.754 0 40 GHAB O=C(NCCC1=CCCCC1)c1ccc2nc(N3C(=O)CCC3=O)sc2c1 408976520 RJFCAXWYJDDZCF-UHFFFAOYSA-N 383.473 3.570 0 40 GHAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC)c(OCC)c2)NC(=S)N1 408606634 JILAKRMNTMNDHX-SFHVURJKSA-N 392.521 3.620 0 40 GHAB NC(=O)c1ccccc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 408627587 MAOFZJDMBISVDH-UHFFFAOYSA-N 383.860 3.719 0 40 GHAB CCOc1ccccc1N1C[C@@H](C(=O)O[C@@H](CC)C(=O)c2ccccc2)CC1=O 408641289 CKDSQXZWMRWHNH-HKUYNNGSSA-N 395.455 3.643 0 40 GHAB Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)N3CCC[C@@H](C)C3)C2=O)cc1 67323894 ZZXMFRGZTSPTRI-GOSISDBHSA-N 381.520 3.545 0 40 GHAB COc1ccccc1[C@@H](NC(=O)c1cn2cccnc2n1)c1ccccc1Cl 525574086 NQIOGUOLJVAVQY-IBGZPJMESA-N 392.846 3.911 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CCc2ccc3c(c2)OCO3)c1 32847967 WTXYWWVTBULUJR-GOSISDBHSA-N 383.444 3.729 0 40 GHAB COc1cc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc(OC)c1OC 219301610 PBFHIAIJHZDHSE-MRXNPFEDSA-N 387.476 3.721 0 40 GHAB Cc1cc(NCCCN2CCCC2=O)n2nc(C)c(-c3ccc(F)cc3)c2n1 72341676 LTFSPEDMIACPOK-UHFFFAOYSA-N 381.455 3.577 0 40 GHAB COc1cccc(-c2cccc([C@H]3CCCN(C4CCN(C(C)=O)CC4)C3)n2)c1 72350193 CRDMEEBHLQTGJH-FQEVSTJZSA-N 393.531 3.948 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)[C@@H]2C[C@H]2C)C1 72388991 AKSHJIBAXMRDCN-HFXUHXBXSA-N 396.556 3.968 0 40 GHAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1cccc(F)c1 225739132 MKLWAGRUQAVEQK-UHFFFAOYSA-N 375.197 3.542 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C 223018855 QYLYYHBDNGYDMG-SFTDATJTSA-N 392.528 3.800 0 40 GHAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)Cc1ccccc1 223624539 BUKUMZPJBUCLJW-UHFFFAOYSA-N 399.516 3.996 0 40 GHAB Cc1cc(=NC(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)[nH]n1C(C)C 571070713 WBUUEXOKZBYHEJ-UHFFFAOYSA-N 395.551 3.714 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222499874 IZTNQPKOGNQJDO-AWEZNQCLSA-N 394.924 3.844 0 40 GHAB CC[C@H](C(=O)NCC1CCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224314589 SWNCLGKJPGJNPS-LJQANCHMSA-N 380.554 3.545 0 40 GHAB S=C(Nc1ncc(Br)nc1Br)NC1CCCCC1 224038034 OMTNUZYDZYJACW-UHFFFAOYSA-N 394.136 3.621 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 223014768 ZVYUNMDPCLIFSE-FQEVSTJZSA-N 384.545 3.782 0 40 GHAB COc1cccc(-c2noc(CNC(=S)Nc3ccc(F)c(F)c3)n2)c1 225822551 SJXNJNWXVIULDC-UHFFFAOYSA-N 376.388 3.510 0 40 GHAB COc1ccc(Cl)cc1NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225735194 VBPBZUZAPFBIDT-UHFFFAOYSA-N 377.227 3.956 0 40 GHAB CCOc1ccc(NC(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)cc1 97943917 MVYXALKFTOBZKP-GOSISDBHSA-N 398.850 3.854 0 40 GHAB COc1ccc(CNS(=O)(=O)c2cc(C)c(Br)cc2C)cc1 95960059 ATQPEVRWSNXDFD-UHFFFAOYSA-N 384.295 3.553 0 40 GHAB CC(C)Cn1cc(C(=O)Nc2n[nH]c3cccc(F)c23)c2ccccc2c1=O 95473090 AEEWRPJVBBUDIK-UHFFFAOYSA-N 378.407 3.925 0 40 GHAB Cc1cccc(NC(=O)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 96239947 RBUIYVVDBKJRLE-UHFFFAOYSA-N 394.519 3.537 0 40 GHAB CC(C)CC(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CC1)c1ccccc1O2 96243221 PFZWKDCXSIJGEO-KRWDZBQOSA-N 384.520 3.629 0 40 GHAB CC1(c2ncc(Cc3cccc(F)c3)o2)CCN(C(=O)CN2CCCCC2)CC1 257303369 SGXDSWWXOCGSBZ-UHFFFAOYSA-N 399.510 3.771 0 40 GHAB Cc1noc(C)c1-c1ccc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc1 257203872 ARZQGDXRJGVZMY-SFHVURJKSA-N 397.500 3.922 0 40 GHAB COc1ccccc1CC(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 257204606 AVMKLZWULFFEOE-NFBKMPQASA-N 399.462 3.606 0 40 GHAB O=C(c1cc2c(s1)CCNC2)N(CCc1ccccn1)Cc1ccc(F)cc1 662711935 CWBOWTNHJASVPW-UHFFFAOYSA-N 395.503 3.813 0 40 GHAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccccc1C(=O)c1ccccc1 390826545 AHCWZDPFWOCBNB-LJQANCHMSA-N 389.455 3.936 0 40 GHAB COc1cccc([C@H]2C[C@H](C)CN2C(=O)CCc2nc(O)c3ccccc3n2)c1 680196961 PMBMVWGYVHUUAS-MGPUTAFESA-N 391.471 3.886 0 40 GHAB Cc1ccsc1CN1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615155033 JKEQYDBPKNEPFZ-OAQYLSRUSA-N 388.508 3.984 0 40 GHAB Cc1nnc(COC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)o1 5245522 JHTATOACDZNWJZ-UHFFFAOYSA-N 376.368 3.817 0 40 GHAB COc1ccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)no3)c2C)cc1OC 11691847 NJUQBPJWRDLFCZ-UHFFFAOYSA-N 397.822 3.963 0 40 GHAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)NC1CC1 12552742 GINIQKKAMICDSU-UHFFFAOYSA-N 377.366 3.648 0 40 GHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1ccccc1 13017152 XLCCGJIHBQAHNZ-UHFFFAOYSA-N 376.909 3.597 0 40 GHAB O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc21 13697009 ZIRDERWJZLOCND-UHFFFAOYSA-N 390.892 3.581 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)c1 15013224 WJQAJTILZIUACO-WOJGMQOQSA-N 396.468 3.987 0 40 GHAB O=C(CNCCc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 15935906 NDGFAGDJRHNKJL-UHFFFAOYSA-N 399.922 3.737 0 40 GHAB O=C1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)n2c(nc3ccccc32)N1 17076738 RLJZRGCFUOWYPO-CYBMUJFWSA-N 375.215 3.865 0 40 GHAB COc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)cc1OC 4509223 AJUWPKUEBZXRTD-ZROIWOOFSA-N 388.217 3.811 0 40 GHAB Cc1ccccc1-n1nc(C)c(CN(CCN(C)C)Cc2ccccn2)c1C 19237580 DUDFWOXEBUYBFR-UHFFFAOYSA-N 377.536 3.756 0 40 GHAB O=C(NCC1(c2ccccc2F)CCOCC1)c1ccc(F)c(-n2cccn2)c1 19347969 LZRLRPSATQYCPH-UHFFFAOYSA-N 397.425 3.629 0 40 GHAB CC(C)c1nc(C[C@H](NC(=O)Cc2ccccc2)c2ccccc2)cc(=O)[nH]1 19453568 RQJYFWAOSRLBSS-FQEVSTJZSA-N 375.472 3.536 0 40 GHAB CCCc1ncc(CN2CCCC[C@@H]2c2cc3nc(C)c(CC)c(O)n3n2)cn1 12242202 RPIQNNWXLUCCAL-LJQANCHMSA-N 394.523 3.775 0 40 GHAB CCOC(=O)c1sc2ncn(CCOc3ccccc3Cl)c(=O)c2c1C 9614254 NWSIVXPMZDQEBC-UHFFFAOYSA-N 392.864 3.676 0 40 GHAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccccc2Cl)o1 4032048 XGLZVVKKWCDLKR-MRXNPFEDSA-N 376.865 3.956 0 40 GHAB CN(C)CCN(C(=O)CCOc1ccccc1)c1nc2c(F)cccc2s1 4359282 MZLXWKWPVXYOJK-UHFFFAOYSA-N 387.480 3.799 0 40 GHAB Cc1cc(Br)ccc1NC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 5123215 ONMBIMMPEHMQFM-AWEZNQCLSA-N 388.265 3.685 0 40 GHAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc21 8958958 VMQOYNKXNQPFRR-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB O=S(=O)(NC[C@H](O)c1cc(-c2ccco2)cs1)c1ccc(Cl)s1 1775969916 RRTNLTJDJVCCIV-JTQLQIEISA-N 389.907 3.735 0 40 GHAB O=C(NCc1ccco1)/C(=C/c1ccc(-c2ccccc2Cl)o1)c1nnn[nH]1 27562026 XLRXFGVERUOGOO-XNTDXEJSSA-N 395.806 3.563 0 40 GHAB CN(c1ncc(Cl)cn1)C1CCN(c2ncc(C(F)(F)F)cc2F)CC1 2086861076 DUEZWMBMTKMMCD-UHFFFAOYSA-N 389.784 3.788 0 40 GHAB COc1ccc(CNC(=O)CCc2ccc(-n3nc(C)cc3C)cc2)c(OC)c1 225605699 KPNBZVPYQMNMPW-UHFFFAOYSA-N 393.487 3.755 0 40 GHAB O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCC(F)(F)F 44035411 FYCQDXFZYSHYRT-UHFFFAOYSA-N 376.334 3.906 0 40 GHAB COc1ccc(-n2ncc3c(O)nc(SCCc4ccccc4)nc32)cc1 9522056 DLRGMSKWGFJREV-UHFFFAOYSA-N 378.457 3.865 0 40 GHAB CSc1ccc(CN(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 40104073 RYBGLBZGKYONAA-UHFFFAOYSA-N 384.549 3.824 0 40 GHAB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1nc(-c2ccccc2)oc1C 40159591 XMQWXILZQSFLLD-KRWDZBQOSA-N 378.428 3.952 0 40 GHAB CSc1ccc(CN(C)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1 40104846 YBKNEBBJJRVUEJ-UHFFFAOYSA-N 387.505 3.539 0 40 GHAB COc1ccccc1NC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 40155901 FLBRYYGIVAFUPK-CQSZACIVSA-N 398.381 3.618 0 40 GHAB COc1cccc(N2CCN([C@H](C(=O)O)c3c[nH]c4ccc(Cl)cc34)CC2)c1 20744749 YMKKILDBXPSDDQ-FQEVSTJZSA-N 399.878 3.778 0 40 GHAB C[C@H](C(=O)Nc1cc(F)ccc1F)n1c(=O)c(C(F)(F)F)nc2ccccc21 32801713 RIMUAYNEQLHDSO-SECBINFHSA-N 397.303 3.893 0 40 GHAB Cc1cc(C)n(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)c(=O)c1 2792394 CWUBBSXFOCINOX-UHFFFAOYSA-N 386.835 3.983 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)cc1 2795493 HMSQUZZHBDZOPV-JTQLQIEISA-N 378.270 3.740 0 40 GHAB COc1ccc2cc(C)c3nnc(SCC(=O)N4CCC[C@@H](C)C4)n3c2c1 928441 ARKAFRTZZSVQFH-CYBMUJFWSA-N 384.505 3.550 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)c1ccccc1I 1045973 MHIFLAUZNZWXKY-UHFFFAOYSA-N 385.632 3.917 0 40 GHAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccco2)CC1 22914791 JFJKFFTYISWVRN-ZDUSSCGKSA-N 382.291 3.731 0 40 GHAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 4944415 PXWAUWNBWYISDT-NSHDSACASA-N 383.395 3.765 0 40 GHAB Cc1ccc(COc2ccc(/C=C3/NC(=O)NC3=O)cc2Br)cc1 1053723 PZOJAZXJNOJKHC-OQLLNIDSSA-N 387.233 3.517 0 40 GHAB CCCCN1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@@H]2C1=O 101482116 QXDMQYKEMQIMIQ-WCIQWLHISA-N 394.515 3.596 0 40 GHAB CCOc1cccc2cc([C@@H](C)NC(=O)CNC(=O)c3ccc(C)s3)oc12 57908492 FBUFHXGDXYDFBL-CYBMUJFWSA-N 386.473 3.809 0 40 GHAB COc1ccc([C@H](CNC(=O)[C@@H]2COc3ccccc3C2)N2CCCCC2)cc1 22685790 YYYNAQGYBLGGJT-UNMCSNQZSA-N 394.515 3.590 0 40 GHAB O=C(CNC(=O)c1ccc2ccccc2c1)NCCCn1ccc2ccccc21 9470884 OIHPIWQHYOCIIC-UHFFFAOYSA-N 385.467 3.731 0 40 GHAB CCN1CCOc2ccc(NC(=O)c3ccccc3Br)cc2C1=O 9828140 RUMDLXCQCYRXLS-UHFFFAOYSA-N 389.249 3.556 0 40 GHAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Oc1cccc(C)c1)C2=O 9882533 PVHLVBAFMNEFME-UHFFFAOYSA-N 386.492 3.817 0 40 GHAB COc1cc(NC(=O)c2cc(F)ccc2F)ccc1NC(=O)c1cccnc1 26238100 PJEBKKYQLQMHQD-UHFFFAOYSA-N 383.354 3.873 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)CN[C@H](c2ccccc2)c2cccs2)cc1 57383577 LFMZAFWZEJDMRY-OAQYLSRUSA-N 393.512 3.768 0 40 GHAB O=C(Nc1ccccc1N1CCCCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 3286140 DHEWXJXPZUILIC-LJQANCHMSA-N 377.488 3.664 0 40 GHAB O=C(CCc1nc(-c2ccccc2)no1)Nc1nc(-c2ccccn2)cs1 57810889 WQSYHRTWEHKZKA-UHFFFAOYSA-N 377.429 3.826 0 40 GHAB COc1cccc(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)c1OC 25536244 HCRDISAWKCVVPT-HXUWFJFHSA-N 382.504 3.517 0 40 GHAB CN1CCC(CCNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 58169062 VOVAOPGUNXHDCB-UHFFFAOYSA-N 375.900 3.776 0 40 GHAB Cc1cc(C(=O)COC(=O)[C@@H](O)c2ccccc2)c(C)n1Cc1ccccc1 12781627 CCBQLGGKCXDGFS-QFIPXVFZSA-N 377.440 3.613 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 2358133 SATXIHPGFSKNPL-UHFFFAOYSA-N 384.823 3.920 0 40 GHAB CCCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21 2343433 VGURZRGFTKLITA-UHFFFAOYSA-N 379.489 3.958 0 40 GHAB CC[C@H]1CCCCN1CC(=O)Nc1c(C(=O)OC)[nH]c2cccc(Cl)c12 2399734 BPCSMJGPIFCFJB-LBPRGKRZSA-N 377.872 3.811 0 40 GHAB CC(C)n1ncc2c(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc(-c3ccco3)nc21 11046739 RXIIHAIMMMYPKL-CYBMUJFWSA-N 398.463 3.732 0 40 GHAB CC(C)(C)c1ccc(COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 3308691 VWTKDZSHKJXQPE-UHFFFAOYSA-N 376.456 3.997 0 40 GHAB CCCCn1nc(C(=O)Nc2nc3c(s2)CCCC3)c2ccccc2c1=O 3337056 GYVAKRJEWZYIFE-UHFFFAOYSA-N 382.489 3.784 0 40 GHAB Cc1ccc(Nc2oc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)c(C)c1 11615580 JPSUIOUVNJLIKR-UHFFFAOYSA-N 375.428 3.858 0 40 GHAB CCOC(=O)[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)Cc1ccccc1 60155450 XEMSWYQLIRGFGK-INIZCTEOSA-N 379.378 3.857 0 40 GHAB NC(=O)c1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 12854701 QCHOQEVYIOXMDN-NRFANRHFSA-N 384.439 3.732 0 40 GHAB O=c1c2c(-c3ccc(F)cc3)csc2ncn1C[C@@H](O)COc1ccccc1 12868206 BCOUMFOTUKQVGO-MRXNPFEDSA-N 396.443 3.704 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CS[C@@]2(c3cccs3)CCC(=O)N12 3442305 FUVOXYWXDFPRBY-RDTXWAMCSA-N 392.933 3.609 0 40 GHAB CCOc1ccc(C(C)=O)cc1COC(=O)c1cc(OC)c(OC)c(OC)c1 3511633 IKYDFVOIPKNPET-UHFFFAOYSA-N 388.416 3.671 0 40 GHAB COc1ccccc1NC(=O)Cn1nc(COc2ccc(C)cc2)oc1=S 409151815 HPRBWQLSTAUJGF-UHFFFAOYSA-N 385.445 3.740 0 40 GHAB CN(C)C1(CNC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CCCCCC1 25443651 WDWFHIIRWBMWER-UHFFFAOYSA-N 391.943 3.851 0 40 GHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C)nc2c1cnn2C(C)C 39536668 XIFKMOCWCMPASZ-UHFFFAOYSA-N 380.448 3.712 0 40 GHAB O=C(Cc1ccccc1)Nc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1 71284682 GKZOJHFCHQGNMT-UHFFFAOYSA-N 388.423 3.747 0 40 GHAB CCCCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)cc1 4369408 IKQHAKKVPHEWPP-SFHVURJKSA-N 394.471 3.564 0 40 GHAB CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(F)c1 4337843 PADHBSRONOYWLR-IBGZPJMESA-N 398.409 3.568 0 40 GHAB C[C@@H]1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c2ccccc2S1 5324952 IEORHLLPADIYNG-GFCCVEGCSA-N 382.407 3.785 0 40 GHAB O=C([C@H](Sc1nnnn1-c1ccccc1)c1ccccc1)N1CCCCC1 5455589 TVTVPFJCVNLHAO-GOSISDBHSA-N 379.489 3.508 0 40 GHAB CCc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(C)cc1 9237332 MPVLGYSRJPAQKS-MOPGFXCFSA-N 393.516 3.855 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccccc1 9237861 KOXFWHRCZCMWRN-DLBZAZTESA-N 399.907 3.946 0 40 GHAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CC(C)C)cc1 4738765 SHIZAVDNLZQZGI-IBGZPJMESA-N 395.459 3.517 0 40 GHAB CSCC[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 15190408 SVYSPZUKCFADHJ-XHSDSOJGSA-N 394.924 3.575 0 40 GHAB O[C@@H](CO[C@@H]1CCCc2ccccc21)CSc1nncn1-c1ccccc1 7032072 BHJNVRZWJFAOMR-AZUAARDMSA-N 381.501 3.815 0 40 GHAB CCc1ccc(-c2noc(CSc3nnc(-c4cccc(F)c4)n3N)n2)cc1 7183677 IDUBWBGFDRSTMH-UHFFFAOYSA-N 396.451 3.703 0 40 GHAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc(C(=O)NC2CC2)c1 9453727 WREGSZCUMPWEHX-UHFFFAOYSA-N 376.865 3.895 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 8245590 ZFPNLSWHXAADGH-CQSZACIVSA-N 394.368 3.874 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(O[C@@H](C)C(=O)NCc2ccco2)cc1 8328230 RDMFDCMVLOJRQO-HNNXBMFYSA-N 394.427 3.624 0 40 GHAB COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)c1ccco1 17076948 KHIVJRUFRPVZPR-UHFFFAOYSA-N 376.415 3.694 0 40 GHAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cc(Cl)ccc3OC(=O)c3ccco3)C(=O)[C@@H]21 18241293 BYRSNFGFZUORSE-BTJLNZGRSA-N 385.803 3.854 0 40 GHAB CN(CC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)c1cnn(C)c1 72308512 JRKBYLBXKCAQEB-IBGZPJMESA-N 378.501 3.737 0 40 GHAB CC(C)Oc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 115562552 CLLLSEVGLLJLQK-INIZCTEOSA-N 386.879 3.797 0 40 GHAB CC(=O)Nc1ccc(NC(=O)NCC2([C@H](O)C(C)C)CC2)c(C(F)(F)F)c1 95987312 YCNAGQFHBBUJQL-OAHLLOKOSA-N 387.402 3.582 0 40 GHAB C[C@@H](Cn1cc(Cl)cn1)C(=O)Nc1cnn(Cc2ccc(F)cc2Cl)c1 28229728 RTRWZYGQKSIRKL-NSHDSACASA-N 396.253 3.849 0 40 GHAB Cc1ccc(CN2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)s1 306134225 NGASNOZJIVVMIS-HXUWFJFHSA-N 391.500 3.735 0 40 GHAB Cc1cccnc1NC(=O)c1nc(-c2ccnn2-c2ccccc2)n2ccncc12 306131857 KRDMTNBYMIXRKU-UHFFFAOYSA-N 395.426 3.538 0 40 GHAB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 5727157 CGMQVZJMYYNDQP-OAQYLSRUSA-N 393.487 3.778 0 40 GHAB COc1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)c(OC)c1 36359779 AIPHXVQXIFHKTJ-UHFFFAOYSA-N 399.374 3.627 0 40 GHAB CCn1ncc(-c2cc(C(F)F)nc(N[C@H](C)c3cnn(C)c3C)n2)c1C 36614123 HJSBXYYHPHLVCN-SNVBAGLBSA-N 375.427 3.821 0 40 GHAB Cc1nc(Cn2ccnc2[C@@H]2CN(C(=O)C3CCC3)Cc3ccccc32)cs1 306126756 FEMOUEVDKUQSBO-HXUWFJFHSA-N 392.528 3.971 0 40 GHAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2F)cc1 36621197 BOHHFEZFVNVUCU-SFHVURJKSA-N 376.453 3.700 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2O[C@@H](C)CC)C1=O 409015222 YZCJUZIZHCSRMD-DWAVZPTGSA-N 377.462 3.852 0 40 GHAB CCCc1nc(S/C(=C\c2ccc(N3CCCCCC3)o2)C(=O)O)n[nH]1 213388466 NPSDVMYHFRJDCV-OWBHPGMISA-N 376.482 3.948 0 40 GHAB CCc1nccn1-c1cncc([C@@H]2CCCN2C(=O)CCCc2ccccc2)n1 72378558 PEWXGLYPBSNAIA-FQEVSTJZSA-N 389.503 3.911 0 40 GHAB Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)nc1 72377680 KYTLRTJVPWTSGZ-LJQANCHMSA-N 387.487 3.872 0 40 GHAB O=C(c1ccncc1)N1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 72362116 MGDYYPXRBJIWDT-MRXNPFEDSA-N 378.407 3.823 0 40 GHAB CN(C)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1Cl)c1cccs1 47031687 SQSDBOUAJJPHSZ-LBPRGKRZSA-N 379.334 3.636 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)ccc21 225882178 HVPQRAMBCXLSII-UHFFFAOYSA-N 398.406 3.805 0 40 GHAB CN1C(=O)CC[C@H](C(=O)NCCCc2ccc(F)cc2)[C@H]1c1cccc(F)c1 223282656 GKMRWSYUPYNNTM-PZJWPPBQSA-N 386.442 3.623 0 40 GHAB O=S1(=O)CC[C@H](N(Cc2ncc(-c3ccccc3)o2)Cc2cccs2)C1 40012096 DOWXAQMYRWFLID-INIZCTEOSA-N 388.514 3.592 0 40 GHAB CCC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 223024114 JHRDWRBPEPCPDC-QFIPXVFZSA-N 396.531 3.817 0 40 GHAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCO 223624912 AHMDCESKDPGODU-SFTDATJTSA-N 392.528 3.536 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 44884872 SAXSERZHVOBSMZ-INIZCTEOSA-N 384.476 3.592 0 40 GHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc3ccccc23)c1 222870681 FSIOXGQWSNXKTG-UHFFFAOYSA-N 388.876 3.795 0 40 GHAB COCCn1cc(C(=O)N[C@H](C)Cc2ccc(-c3ccccc3)cc2)ccc1=O 48272501 JOVKCBMTRYNHNK-GOSISDBHSA-N 390.483 3.523 0 40 GHAB CC[C@H](NC(=O)COc1ccccc1C(C)C)c1ccc(S(C)(=O)=O)cc1 222813697 PDKMMPOQMBFTHV-IBGZPJMESA-N 389.517 3.860 0 40 GHAB C[C@@H](NC(=O)Cn1ccc(=O)c2ccc(Br)cc21)c1ccccc1 225738211 MSNCXBQHNNYMQY-CYBMUJFWSA-N 385.261 3.641 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)cn1 96037492 GITYIPIAGONINS-QFIPXVFZSA-N 389.503 3.906 0 40 GHAB CCOC(=O)[C@H](C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 245240335 PFRRINIMSRUQHA-IWUPOPMTSA-N 396.524 3.600 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4C[C@H]4C)C3)cc2n1 248192734 MKIZYXVGALRIHG-UPJWGTAASA-N 380.414 3.843 0 40 GHAB O=C(O)CN(Cc1cccc(F)c1F)C1CCN(c2cccc(F)c2)CC1 257303004 SFJZUADTRHAHIO-UHFFFAOYSA-N 378.394 3.660 0 40 GHAB O=C(COc1cccnc1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257318732 VPDJYBUEBYWQLH-LJQANCHMSA-N 381.407 3.542 0 40 GHAB Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)Cc3ccccc3F)CCO2)n1 257308718 TXVRCNISJWSZOE-HXUWFJFHSA-N 395.434 3.635 0 40 GHAB CN(C)c1ncccc1CN1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1 257266557 MDNJPVYIBTYCNL-QHCPKHFHSA-N 388.515 3.707 0 40 GHAB O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)N[C@H]1CC12CCOCC2 667600981 MWDPBMXLBHAVMM-LBPRGKRZSA-N 398.410 3.915 0 40 GHAB O=C(NCCn1ccc(-c2ccccn2)n1)Nc1ccc(C(F)(F)F)cc1 96098945 UUQUBQJFWKXFQL-UHFFFAOYSA-N 375.354 3.786 0 40 GHAB COc1ccc(Cl)cc1[C@H](O)CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 585110576 NPTUFRHPZZXMPK-MRVWCRGKSA-N 379.806 3.867 0 40 GHAB Cc1csc([C@@](O)(CC(=O)N2CCc3sccc3[C@H]2C)C(F)(F)F)n1 67705934 LPZKTGBUGCFXMI-BMIGLBTASA-N 390.452 3.799 0 40 GHAB CC(=O)Nc1cccc2c1CCN(Cc1nc(-c3ccc(Cl)cc3)no1)C2 54390543 RHFYRYNQOBBXLT-UHFFFAOYSA-N 382.851 3.907 0 40 GHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNC(=O)c1cccc(F)c1 1775964183 VRNLBINERWTGHU-JWOSDPRPSA-N 380.463 3.629 0 40 GHAB biogenic,in-vitro COc1cc(CN2C[C@@H](c3ccn[nH]3)[C@H](c3ccccc3)C2)cc(OC)c1OC 72395178 FTGYJSKGKZTHKX-RBUKOAKNSA-N 393.487 3.819 0 40 GHAB Cc1cc(-c2cc(C(=O)NC[C@@H]3CCC[C@H]3O)c3cnn(C(C)C)c3n2)c(C)o1 78902718 NNXBUMZEYKBDJH-MGPUTAFESA-N 396.491 3.780 0 40 GHAB O=C(O)Cc1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1 98210732 JWJXGOQMOQQWIH-SECBINFHSA-N 397.065 3.880 0 40 GHAB Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 15591487 BBHQJNRWTPUHBA-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB CCCn1c([C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 16769898 ZAWYFTUIJDLUPR-CQSZACIVSA-N 397.475 3.963 0 40 GHAB CC(C)(C)c1cc2nccc([C@@H]3CCCN3C(=O)COc3ccc(F)cc3)n2n1 19084313 XCFIIXZTWGGTMF-KRWDZBQOSA-N 396.466 3.908 0 40 GHAB CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccoc1C 4860280 MUTNPKWJAMMNBX-UHFFFAOYSA-N 382.489 3.938 0 40 GHAB CC(C)(C)NC(=O)Cn1c(SCC(=O)Nc2ccccc2)nc2ccccc21 1360919 SXTYAXHLKXPVSP-UHFFFAOYSA-N 396.516 3.682 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc3nc(NN)sc3c2)cc(C)c1Cl 226312751 DHCRKZHXGACHHT-UHFFFAOYSA-N 376.869 3.870 0 40 GHAB O=C(NCC1(Cc2ccc(F)cc2)CC1)N1CC[C@@H](n2cc(Cl)cn2)C1 519573166 UGFMKFNJYUPKPS-QGZVFWFLSA-N 376.863 3.655 0 40 GHAB O=C(CCC1CCCC1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2 4105636 YNTUZWPPCZRSTN-AREMUKBSSA-N 375.469 3.683 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 3605382 QOWYVYUGJSZSNQ-SNVBAGLBSA-N 389.238 3.567 0 40 GHAB Cc1nc(C)c(C(=O)N2CC[C@@H](COc3ccc(-c4ccccc4)nn3)C2)s1 1888904228 BRPDNJXTLJQHHB-MRXNPFEDSA-N 394.500 3.758 0 40 GHAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2ccccc2F)C1 1889176685 WRPIVOXXPSLGLF-ZDUSSCGKSA-N 381.373 3.981 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CCOc1ccc(C)cc1 14165356 KQGDNRGPCNOIMT-OAHLLOKOSA-N 376.884 3.995 0 40 GHAB O=C(c1cccc(OC(F)(F)F)c1)N1CC(n2cc(-c3ccccc3)nn2)C1 253471958 GTFLSYRDPGCXED-UHFFFAOYSA-N 388.349 3.541 0 40 GHAB Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1c[nH]c2ccccc12 4138376 GTOLFTQDDSKZBJ-UHFFFAOYSA-N 381.436 3.833 0 40 GHAB Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@@](=O)C3)cc1 4106024 VFYIEOWCAHPWJE-HHHXNRCGSA-N 379.485 3.812 0 40 GHAB CCc1ccccc1N(C(=O)c1cccc(Cl)c1)[C@@H]1C=CS(=O)(=O)C1 4165544 FYBZIWYHCVTVPE-QGZVFWFLSA-N 375.877 3.860 0 40 GHAB O=C(c1nc2ccccc2s1)N1CCN(c2nc3ccccc3s2)CC1 4224062 LRQFOFXVSLRFOC-UHFFFAOYSA-N 380.498 3.868 0 40 GHAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccccc3F)co2)n1 4377236 JFOFKQBNTQODBH-UHFFFAOYSA-N 386.404 3.697 0 40 GHAB Cc1cc(Cl)cc2sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)nc12 4496431 KLKCIBRFKZVAHW-UHFFFAOYSA-N 398.868 3.810 0 40 GHAB Cn1nccc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1 11695103 TWIOKOMWXNJSAC-NSHDSACASA-N 376.869 3.509 0 40 GHAB CCC(CC)C(=O)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 11613126 BDWNEIJTZVPTMN-UHFFFAOYSA-N 386.517 3.808 0 40 GHAB COc1ccccc1N1CCN(C[C@H](O)COc2ccccc2C(C)(C)C)CC1 20807284 IISGZJBRCOZSMH-IBGZPJMESA-N 398.547 3.555 0 40 GHAB CCOc1ccc(-c2noc(CN3C(=O)COc4cc(Cl)ccc43)n2)cc1 23126628 ZUDPEZJADDYOBF-UHFFFAOYSA-N 385.807 3.714 0 40 GHAB COc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3)CC2)cc1F 208044911 PJVIHZMZEKDRKS-GOSISDBHSA-N 381.494 3.703 0 40 GHAB CN(C)[C@@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1csc2ccccc12 575620042 IAGMKCWNANVKPZ-IBGZPJMESA-N 399.560 3.627 0 40 GHAB CC(C)[C@H](Sc1nc2sccc2c(=O)n1C)C(=O)Nc1ccccc1F 40050908 NLFIVTJYGQOZAS-AWEZNQCLSA-N 391.493 3.890 0 40 GHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1OC(C)C 40156905 FQWHVWNXIMCJLI-UHFFFAOYSA-N 383.492 3.893 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)cc1 20722164 DUXSSMMTAICURQ-SFHVURJKSA-N 389.415 3.680 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCCC1)C1=C(c2ccccc2)SCCO1 20745634 PBVQMTRCPXRDLL-QGZVFWFLSA-N 384.501 3.665 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)N(C)C)C3)n2)cc1 32913051 GEWMGZQCGMIPLE-MRXNPFEDSA-N 386.521 3.705 0 40 GHAB CCOc1ccc(-c2nc(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cs2)cc1OC 32957770 LFXAMQPOTAMCCY-HOTGVXAUSA-N 398.484 3.669 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 810412 BIJYMQIIKHAZCE-GFCCVEGCSA-N 378.350 3.706 0 40 GHAB COC(=O)c1csc(-n2nc(-c3ccccc3OC)cc2C(F)(F)F)n1 1415765 LHCWKUMNAKTJEE-UHFFFAOYSA-N 383.351 3.810 0 40 GHAB CCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(C)cc1 1926302 JISADYLNZTYQQS-UHFFFAOYSA-N 391.470 3.685 0 40 GHAB C[C@@H](O)CNc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCCC3 2441647 BJHSGVWKRXWNEU-OAHLLOKOSA-N 397.544 3.762 0 40 GHAB COc1cc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc(OC)c1OC 2654396 YQYZJZFIGUAYJZ-UHFFFAOYSA-N 381.432 3.767 0 40 GHAB Cn1nc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2c1=O 2922846 MSDHPXMJBFNHHF-UHFFFAOYSA-N 395.768 3.787 0 40 GHAB O=C(CSc1nnc(NCc2ccccc2)s1)NCCc1ccccc1 3319324 LOYLDTVXYWPCCI-UHFFFAOYSA-N 384.530 3.601 0 40 GHAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)NC[C@H]1CCCO1 3386707 MPVBTZXQUOIVKV-MRXNPFEDSA-N 379.485 3.684 0 40 GHAB C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)c1ccc(Br)cc1 3421255 ZXARAFBTDGNKLZ-SSDOTTSWSA-N 394.216 3.960 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1OC 3620227 JNYLYQKBCQZYSM-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB COc1ccc(Br)cc1/C=C1\NC(=S)N(C2CCCCC2)C1=O 3662849 KPRVIOWZOWYMLK-UVTDQMKNSA-N 395.322 3.848 0 40 GHAB CCN(CC)C(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 4700665 BXRNYIKEGGHUJR-KRWDZBQOSA-N 388.533 3.527 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 4762893 OXHKAUUAKMKTQU-GOSISDBHSA-N 379.416 3.731 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(C(C)C)s3)CC2=O)cc1Cl 4975657 OIAMFFOQKVANGN-NSHDSACASA-N 378.885 3.615 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCOc2cc(C)ccc2C(C)C)c2ccccc21 4987828 OELZUJPKYYLFDJ-HSZRJFAPSA-N 381.472 3.711 0 40 GHAB O=C(c1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 5026129 IEAUKUYKFDZLMB-KRWDZBQOSA-N 398.311 3.823 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1 5568589 XNAXWKUDYXNVTB-UHFFFAOYSA-N 389.455 3.712 0 40 GHAB COc1ccc2c(CC(=O)Nc3cc(Cl)ccc3-n3cncn3)coc2c1 6651662 NFOQOZIJMGHPOG-UHFFFAOYSA-N 382.807 3.857 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 6744597 KWRNHWIEXSAUHC-JOCHJYFZSA-N 398.422 3.628 0 40 GHAB Cc1cccc(C(=O)Nc2nc(-c3nnn(-c4ccccc4)c3C)ns2)c1 6914724 SZMUGDLBXHBTOJ-UHFFFAOYSA-N 376.445 3.655 0 40 GHAB CCOc1cccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1OCC(=O)O 6964986 ZLWLOULHFMDYDD-LFIBNONCSA-N 399.424 3.790 0 40 GHAB O=c1c2cc(Cl)ccc2ncn1Cc1cc(Cl)c2c(c1)OCCCO2 7540769 QIOQMJTZDDCOEP-UHFFFAOYSA-N 377.227 3.913 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 7881096 SKTMBSBWXXAUMP-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB COc1cc(C)c(C[C@H]2SC(=O)N(c3ccccc3OC)C2=O)cc1OC 8333854 WWJMELBNCWGUQT-GOSISDBHSA-N 387.457 3.832 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccnc2)N1c1nccs1 9253846 AOGNVTMTTRIRPJ-HNNXBMFYSA-N 379.372 3.533 0 40 GHAB CCCc1c(-c2ccccc2)n(CC(=O)OCC)c2nc3ccccc3n2c1=O 9262100 JGKGIRXOMBMVEI-UHFFFAOYSA-N 389.455 3.832 0 40 GHAB CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(OC)c(OC)c1 9307953 IAWSFYVINUSNBV-UHFFFAOYSA-N 380.444 3.516 0 40 GHAB C[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 10111952 QNXKQLJNHGZLDE-OAHLLOKOSA-N 388.533 3.871 0 40 GHAB O=C(OCC(=O)N1CCSc2ccccc21)c1ccc2ccccc2c1O 10493249 BLLQZILHVUPAEI-UHFFFAOYSA-N 379.437 3.841 0 40 GHAB CCCn1nc(C(=O)n2cccc/c2=N\C2CCCCC2)c2ccccc2c1=O 10814794 MJTYCRTWBKCAMH-HIXSDJFHSA-N 390.487 3.530 0 40 GHAB CCn1c(CN2CCC[C@H](c3nc(-c4cccnc4)n[nH]3)C2)nc2ccccc21 12087319 JXHQAHUBKMAOHR-KRWDZBQOSA-N 387.491 3.616 0 40 GHAB Cc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c(C)c1 12234982 PGVMXIPHSWOYBL-UHFFFAOYSA-N 376.464 3.812 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)c1 12584324 GWXWOOMKTFXOMF-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)cc1C 12605521 ZRUDRRBRHKCNPA-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB Cc1cc(C(=O)CN2CCN(c3ccccc3O)CC2)c(C)n1CCC(C)C 12609605 ZITWUZCOXGQVBU-UHFFFAOYSA-N 383.536 3.862 0 40 GHAB Cc1sc(NC(=O)c2cccc(-n3cnnn3)c2)nc1-c1ccc(F)c(F)c1 12761403 XAPWQCLWTUIYSF-UHFFFAOYSA-N 398.398 3.625 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1cccc(C)c1C 12864178 MKBMHZRVBPRFRR-UHFFFAOYSA-N 399.878 3.621 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)c(C)c1 13674653 XOLQWKQMGRPJKM-UHFFFAOYSA-N 398.278 3.735 0 40 GHAB NC(=O)c1ccc(CSc2cc(C(=O)NC3CC3)c3ccccc3n2)cc1 14197027 PIFGXIPIEZZRJW-UHFFFAOYSA-N 377.469 3.518 0 40 GHAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@H](COc3ccccc3F)C1)CO2 19562342 DQWFAYVBXNENKH-FUHWJXTLSA-N 399.462 3.703 0 40 GHAB Cc1cccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 19946486 IJJGOULCJXDXHP-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1ccccc1Br 20009080 LGMKKINBNVIWHJ-LBPRGKRZSA-N 396.306 3.734 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1 20049675 PPASKPBTPLAEFR-OAHLLOKOSA-N 384.476 3.803 0 40 GHAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2CC(=O)NC(C)C)cc1 20352877 GVQQMJWKSLXZHJ-HSZRJFAPSA-N 377.488 3.649 0 40 GHAB NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 23055349 GKMFPODGRUNDKQ-HXUWFJFHSA-N 375.428 3.697 0 40 GHAB C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1cccs1)N1CCOCC1 23182613 KXFMHIHVGCYSHZ-GUYCJALGSA-N 379.913 3.985 0 40 GHAB Cc1c(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cnn1-c1ccccc1 23778135 ZLUSYGGWLWKOAA-HXUWFJFHSA-N 389.434 3.573 0 40 GHAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 24840549 SGSYEYWQIMGAGS-OAQYLSRUSA-N 393.487 3.965 0 40 GHAB CCN(CC)COC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 26465478 HOXLPOVYBQDLHG-UHFFFAOYSA-N 390.867 3.814 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC(C)(C)N1CCc2ccccc2C1 30637417 PLCDEOCLCPJNML-UHFFFAOYSA-N 389.499 3.612 0 40 GHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 31794343 CUHBTKGREVJSAL-CABCVRRESA-N 379.485 3.869 0 40 GHAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 32474828 AOLRMELZDJSCKB-IFXJQAMLSA-N 382.847 3.957 0 40 GHAB Cc1ccc(-n2ccnc2SCC(=O)NCCN(C(C)C)C(C)C)cc1C 32903699 SBIMRDZLBQOEGT-UHFFFAOYSA-N 388.581 3.816 0 40 GHAB Cc1ccc(CN(C)C(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)o1 32930855 GEVPHWZUOYUHLM-AWEZNQCLSA-N 381.398 3.877 0 40 GHAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)[C@@H]1C 32957466 RQYHGRKSCNFSKA-SXGZJXTBSA-N 383.488 3.948 0 40 GHAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38854369 DUWGANSQZOLMHU-SFHVURJKSA-N 397.494 3.815 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c(C)c1 40062875 QSTOHGSXJQKEEA-LJQANCHMSA-N 375.490 3.970 0 40 GHAB CCOC(=O)c1sc(NC(=O)Cc2ccc(-n3nc(C)cc3C)cc2)nc1C 40129536 JHUGZAQJPNHMRQ-UHFFFAOYSA-N 398.488 3.612 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c2cccnc12 43506394 ULFBJNYWGLGYOO-UHFFFAOYSA-N 376.412 3.916 0 40 GHAB C[C@@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 45900297 NWERTUIVHBWPDT-LLVKDONJSA-N 386.395 3.568 0 40 GHAB COc1ccc(-c2cc(C(=O)NCc3ccc(Br)cc3)n[nH]2)cc1 51315907 LVBWYGCZSJXHGE-UHFFFAOYSA-N 386.249 3.778 0 40 GHAB O=C(c1ccccc1)[C@@H](CN1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 55107237 MKFUMTCGXFPFOF-LJQANCHMSA-N 391.920 3.851 0 40 GHAB Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 55150973 JSHMIHINSGOWJM-SJORKVTESA-N 378.428 3.853 0 40 GHAB Cc1ccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(F)c1 57291851 SZKVFIIWRWKJBY-UHFFFAOYSA-N 395.400 3.914 0 40 GHAB O=S(=O)(CCCSc1nnc(-c2ccccc2)o1)c1ccc(F)cc1 58168606 CIHGRWJBBZCCHH-UHFFFAOYSA-N 378.450 3.832 0 40 GHAB Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCC(=O)O 58377227 ZJKGPDHWHXEWDL-UHFFFAOYSA-N 390.244 3.566 0 40 GHAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccnc1Oc1ccccc1 59301822 SPHROQOIBANIPI-UHFFFAOYSA-N 375.306 3.833 0 40 GHAB CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N(C)c2ccc(F)cc2)CC1 66329988 HFJDKGFPXOLKKM-UHFFFAOYSA-N 383.467 3.753 0 40 GHAB CC[C@@H]1CCCCN1C(=O)Cn1c(Nc2cc(C)cc(C)c2)nc(C)cc1=O 67246355 PCAXRWMLRYTKFG-LJQANCHMSA-N 382.508 3.703 0 40 GHAB CCn1cc(-c2nn3c(Cc4ccccc4OC(F)(F)F)nnc3s2)cn1 71285153 JERCJPPWINHQHD-UHFFFAOYSA-N 394.382 3.559 0 40 GHAB Cc1ccccc1-c1noc(CN2CCN(c3ccc4ccccc4n3)CC2)n1 72277274 MBTRQMNDZYRBSE-UHFFFAOYSA-N 385.471 3.915 0 40 GHAB NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 72349631 TXWUVBNNIBIAOF-IBGZPJMESA-N 377.488 3.744 0 40 GHAB COc1ccc(Oc2cc(C)nc([C@H]3CCCN3Cc3nccn3C)n2)cc1 72384183 HWVBKKQZZXWGJP-GOSISDBHSA-N 379.464 3.657 0 40 GHAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(N3CCCCC3)cn2)n1 84147699 YMXCOAVHWVRHDJ-UHFFFAOYSA-N 391.475 3.827 0 40 GHAB CSc1nccn1-c1cccc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c1 89894440 SDYHSIRFLFVAMG-KSSFIOAISA-N 379.485 3.889 0 40 GHAB CCCc1nnsc1C(=O)N1CCC(CSc2nc(C)cs2)CC1 90608133 HSSYIRCTNSIPPA-UHFFFAOYSA-N 382.580 3.900 0 40 GHAB O=C(NCCOc1ccccc1)NCc1ccc(C(=O)c2cccs2)s1 90610610 ODSMEFYZKVBAQV-UHFFFAOYSA-N 386.498 3.919 0 40 GHAB COC(=O)C[C@@H](c1oc(CSc2ccccc2OC)cc(=O)c1O)C(C)C 95476667 ONDHIYLRSUSPNR-CQSZACIVSA-N 392.473 3.949 0 40 GHAB O=C(NCc1ccc(CN2CCCC2=O)cc1)Nc1ccc(OCC2CC2)cc1 95959333 HHXVCGOVUQQFDM-UHFFFAOYSA-N 393.487 3.920 0 40 GHAB O=C(Nc1ccc(CN2CCOCC2)cn1)c1ccccc1SC(F)(F)F 95976307 DYKMZVDLDFWEAN-UHFFFAOYSA-N 397.422 3.778 0 40 GHAB COc1cccc(CN2CCC[C@]3(CCN(Cc4cccnc4OC)C3)C2)c1 96215586 UHLXVUUQIDOCCO-QHCPKHFHSA-N 381.520 3.587 0 40 GHAB Cc1ccsc1CCC(=O)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96370761 AMKKGQZXZNKUPN-INIZCTEOSA-N 397.949 3.717 0 40 GHAB COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(C)=O)CC1 100750309 RHICTNOIANVIMK-SVMVAKDDSA-N 395.503 3.504 0 40 GHAB C[C@@H](NC(=O)c1c(Br)c(C(F)(F)F)nn1C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101988335 KHLWMNDVTGHUOK-KYXWUPHJSA-N 394.235 3.756 0 40 GHAB O=C1[C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 102564845 DVUPAHROSSIUSQ-HKUYNNGSSA-N 376.799 3.786 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CCN(c3ccccc3)CC1)C2 104489296 JQRIJBVNFRDMPG-KZDDHRSZSA-N 386.580 3.791 0 40 GHAB Cc1nc(-c2ccccc2)ncc1C(=O)N1CCN(c2ccccc2F)CC1 132511825 LAUUNPOJUGAMPT-UHFFFAOYSA-N 376.435 3.554 0 40 GHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 219319000 NOUFUKCJVHVWEH-GOSISDBHSA-N 381.432 3.527 0 40 GHAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)cc1 222753625 XGCPMPNDLCSGCP-WOJBJXKFSA-N 378.501 3.873 0 40 GHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 222912437 VGZLIOLXGZFGFN-NHCUHLMSSA-N 391.544 3.955 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1C 223055216 DVCLOEHVHGXCMR-UHFFFAOYSA-N 375.475 3.631 0 40 GHAB CC(C)CSc1nnc(NS(=O)(=O)Cc2ccccc2Cl)s1 223594908 JMMVNMQVIWBFAX-UHFFFAOYSA-N 377.944 3.882 0 40 GHAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224394774 YKSUNPIQXIARRT-WOJBJXKFSA-N 396.491 3.846 0 40 GHAB CCc1cccc(C)c1N(CCCC(=O)NCC1=CCCCC1)S(C)(=O)=O 224842428 RMTNWGLUNKNGJK-UHFFFAOYSA-N 392.565 3.720 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 225533536 UNDKMSOBEJWNQX-LJQANCHMSA-N 382.504 3.624 0 40 GHAB COc1ccc(-c2nnc(NC(=O)COc3cccc(Cl)c3)s2)cc1 225546746 KUFZUWGGWOXSQJ-UHFFFAOYSA-N 375.837 3.885 0 40 GHAB COc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCc2ccc(C)cc2)n1 225942578 UZOLEAROLJGMAK-HNNXBMFYSA-N 385.537 3.659 0 40 GHAB COc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCC[C@H](C)C2)cc1 245227142 CBHBBKLIELWRQS-HNAYVOBHSA-N 383.521 3.613 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@](O)(c1ccsc1)c1cccs1 253400195 KWQMFEWBRILIOG-PEAOBZDDSA-N 399.493 3.604 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)N[C@@H](Cn1nccn1)c1ccccc1 253402723 OOZCEXBBBSRQLJ-INIZCTEOSA-N 391.258 3.521 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCSCC1)c1ccc(C(F)(F)F)cc1 253409150 ZOAYPHTYGVLSEN-OAHLLOKOSA-N 384.423 3.818 0 40 GHAB Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)Cc3cccnc3)C2)nc1 257206530 BDWMDRUEHWRTFU-IBGZPJMESA-N 376.460 3.697 0 40 GHAB COC(C)(C)C(=O)NC[C@H]1CC[C@H](c2c(C(N)=O)sc3ccccc32)CC1 257210167 BTMXSCYTCDFVEW-HDJSIYSDSA-N 388.533 3.815 0 40 GHAB CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)Cc3ccc(C)c(C)c3)CC2)nn1C 257264084 LSVNAUDWXKDJBM-XUTJKUGGSA-N 396.579 3.731 0 40 GHAB O=C(CCn1cnc2ccccc21)N1CCC[C@H]1c1ccnc(-c2ccccn2)n1 257299875 RSAQPYMPNRUFHS-NRFANRHFSA-N 398.470 3.642 0 40 GHAB CC[C@H](CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1)OC 257306174 STESXTOSKXOYDU-OAQYLSRUSA-N 382.504 3.629 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2CN(Cc3cccnc3)C[C@@H]21 306133547 MPGUMEQEFRZYBW-IRLDBZIGSA-N 394.471 3.643 0 40 GHAB COc1cccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)n[nH]c3C)cc2)c1 408620844 KHUHKILEBOQDON-UHFFFAOYSA-N 394.500 3.753 0 40 GHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O 409097362 NBSRPDJQYFKYDB-KEXZDQNZSA-N 390.244 3.600 0 40 GHAB Cc1c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)oc2ccc(F)cc12 555318633 ACFHAZNKXXUTEI-LJQANCHMSA-N 396.462 3.901 0 40 GHAB Cc1nn(C)c2ncc(C(=O)N3CCC(c4nc5c(s4)CCCC5)CC3)cc12 583748933 MQGRCTIYZWILGJ-UHFFFAOYSA-N 395.532 3.632 0 40 GHAB Cc1ccc(Nc2nc([C@H]3CCCN3C(=O)/C=C/c3cnc[nH]3)cs2)nc1 585291809 SVMQKPQOLBMPOO-BIENSFFJSA-N 380.477 3.690 0 40 GHAB CN1CCC(CCNC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)CC1 622341012 ODVZXZILECPOBW-UHFFFAOYSA-N 379.932 3.908 0 40 GHAB O=C(Nc1ncc(C2CCOCC2)s1)N1CCOC[C@@H]1c1ccc(F)cc1 653564317 BNWQTQXRVCXVPE-MRXNPFEDSA-N 391.468 3.782 0 40 GHAB CCCOc1ccc(O[C@@H]2CCCC[C@@H]2N2C(=O)N3CC4CC3(C4)C2=O)cc1 656804711 HHCLLNISWXEPTO-ICZWNRPBSA-N 384.476 3.592 0 40 GHAB O=C(c1csc(Br)n1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 1141442897 UAODALRZXIHFEM-LLVKDONJSA-N 387.686 3.853 0 40 GHAB O=C(CC1(N2Cc3ccccc3C2=O)CCSCC1)NCc1cccc(F)c1 1565524974 UAPLTUQECIQWQZ-UHFFFAOYSA-N 398.503 3.754 0 40 GHAB Brc1cnccc1O[C@@H]1CCN(c2ncnc3ccsc23)C1 1776008850 QTFZSAQFQOCVNG-SNVBAGLBSA-N 377.267 3.507 0 40 GHAB C[C@@H]1CN(C(=O)CC2=CCCCC2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 2055729763 HVEBYVALOVCORP-HCLVMJGWSA-N 397.519 3.697 0 40 GHAB C[C@@H]1CN(C(=O)CC2=CCCCC2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 2055729764 HVEBYVALOVCORP-LLBVYWAGSA-N 397.519 3.697 0 40 GHAB COc1ccc2c(c1)CC(C)(C)n1c(-c3cc(OC)c(OC)c(OC)c3)nnc1-2 1440405 LRAVBPRXFYZKRF-UHFFFAOYSA-N 395.459 3.938 0 40 GHAB CCOC(=O)c1sc(=S)n(-c2c(C)n(C)n(-c3ccccc3)c2=O)c1C 1462272 REHRPOZFQQQWFN-UHFFFAOYSA-N 389.502 3.551 0 40 GHAB CCCOC(=O)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 1903714 YXLXOIZUOMEESF-UHFFFAOYSA-N 398.846 3.685 0 40 GHAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](CCc3ccccc3)N2C(=O)CN1C1CC1 2126163 BQZPCEFDIHEESC-YADHBBJMSA-N 399.494 3.600 0 40 GHAB biogenic CCOC(=O)c1cn2c(n1)C=C[C@@H]1C(C(F)(F)F)=CC(C(F)(F)F)=N[C@H]12 2580681 SQSDNQBEMPGWDM-KRTXAFLBSA-N 379.260 3.707 0 40 GHAB CCN(C(=O)CSc1nnc(-c2ccccc2OC)n1C)c1ccccc1 3312069 KJAKPXYXMOMNJN-UHFFFAOYSA-N 382.489 3.636 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1(c2ccccc2)CCCC1 3415048 HDXMBTRPZPBVCZ-UHFFFAOYSA-N 398.528 3.922 0 40 GHAB CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 3461787 DWSLJNNTIKYTLZ-UHFFFAOYSA-N 381.215 3.747 0 40 GHAB CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCC3=CCCCC3)CC(=O)N21 4029838 AKTFCXMOFKGSFT-FQEVSTJZSA-N 391.515 3.889 0 40 GHAB biogenic COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccncc2)cc1OC 4329890 KIWJEKKLCPQPLY-HXUWFJFHSA-N 378.432 3.537 0 40 GHAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)c1 5490243 AECWGIKCLPBJTR-OAQYLSRUSA-N 398.418 3.942 0 40 GHAB CC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc1 5655860 XJAGAPBSGXSTER-UHFFFAOYSA-N 396.226 3.757 0 40 GHAB C[C@@H](NC(=O)COc1ccc(Cl)cc1C(N)=O)C12CC3CC(CC(C3)C1)C2 6127867 FNQHQVACVWJAJK-CSNVJCEJSA-N 390.911 3.539 0 40 GHAB Cc1ccc(-c2csc3ncnc(OCC(=O)NC(=O)NC(C)(C)C)c23)cc1 6205395 KZYDUPIKIONNGT-UHFFFAOYSA-N 398.488 3.670 0 40 GHAB CC(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1F 6381878 TYLJMXALWIVQHP-NSHDSACASA-N 388.830 3.665 0 40 GHAB CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1nnc2ccccc2c1=O 6659855 KOOGIJPMORVKET-OAHLLOKOSA-N 377.231 3.688 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)Cc1c(C)nc2ccccc2c1C 6832154 FUNNGPKPKNPVHL-UHFFFAOYSA-N 392.455 3.975 0 40 GHAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1cn2cc(Cl)ccc2n1 7986192 MIHKKNIRCGJUSQ-NSHDSACASA-N 392.242 3.503 0 40 GHAB O=C(Cc1ccccc1)Nc1cc(NC(=O)Cc2ccccc2)cc(C(=O)O)c1 8190075 REZSQTDZJSOVOD-UHFFFAOYSA-N 388.423 3.747 0 40 GHAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c(C)c1 8207761 AJDGNQGMBWGHRE-UHFFFAOYSA-N 382.485 3.764 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)N1CCC(Cc2ccccc2)CC1 8289648 VJJJDVCLVQCAOB-UHFFFAOYSA-N 378.472 3.856 0 40 GHAB O=C(NCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 8328288 AGJHIPHPNAXCTM-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2cccs2)N1C[C@@H]1CCCO1 8778753 POZHRHWAXOXEHD-ORAYPTAESA-N 380.473 3.884 0 40 GHAB O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)NC[C@@H]1CCCO1 8854314 VFBYPVNXKVNHFF-HNNXBMFYSA-N 382.938 3.927 0 40 GHAB O=C1C[C@H](C(=O)Nc2ccccc2)SC(Nc2ccc(F)c(Cl)c2)=N1 9108624 FSZAFQRWCPVYCD-CQSZACIVSA-N 377.828 3.918 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(=O)c2cc(Cl)ccc2o1 9336872 IHFQAAXVVIKWFI-HNNXBMFYSA-N 386.835 3.606 0 40 GHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cccc(N2CCCC2=O)c1 9585603 PITUQCJZCWEREX-UHFFFAOYSA-N 383.536 3.732 0 40 GHAB CC(C)(C)NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10338575 VRJHVNHWZXBBQO-UHFFFAOYSA-N 394.924 3.835 0 40 GHAB O=C(Nc1ccccc1)C1CCN(C(=O)NCC2(c3ccccc3)CC2)CC1 10496392 FOWSDEQZPRUBGI-UHFFFAOYSA-N 377.488 3.779 0 40 GHAB O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(COCC(F)(F)F)cc1 10499417 KIIYQOLEXSRQEK-UHFFFAOYSA-N 389.377 3.881 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1cccc(NC(=O)C2CC2)c1 10580006 HSNYXJACKALBBV-UHFFFAOYSA-N 389.455 3.939 0 40 GHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1cc(F)cc(F)c1 10666364 VXXHCMPJDVLDQC-UHFFFAOYSA-N 389.427 3.644 0 40 GHAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)C(=O)c1c[nH]c2ccccc12 11613431 IHJRECJKIZKANQ-UHFFFAOYSA-N 379.803 3.975 0 40 GHAB O=C(CCc1csc(NC(=O)c2cccs2)n1)NCCc1ccccc1 11834949 PRSMSUDWSLIGBT-UHFFFAOYSA-N 385.514 3.748 0 40 GHAB CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C2CC(C)(C)NC(C)(C)C2)C1 12323951 PEXCIXNRVZDXML-UHFFFAOYSA-N 397.567 3.756 0 40 GHAB COC(=O)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 12740464 JVLSITVVJPUAMH-NSHDSACASA-N 394.301 3.638 0 40 GHAB O=c1c2ccccc2c(-c2cccs2)nn1C[C@@H](O)COCc1ccccc1 12876547 OLXXOTBLMICVNJ-QGZVFWFLSA-N 392.480 3.703 0 40 GHAB CCc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)N(C)C)cc1 12883859 GCMCWJOWLKICHX-LIRRHRJNSA-N 397.544 3.714 0 40 GHAB O=C1CSc2ccc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cc2N1 12894236 NHTIIQVODHKSMS-UHFFFAOYSA-N 380.391 3.722 0 40 GHAB Cc1ccc(-n2nnnc2SCCC(=O)Nc2ccc(Cl)cc2F)cc1 12910071 CQIOOHONNDZRIR-UHFFFAOYSA-N 391.859 3.884 0 40 GHAB Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1 12972337 BSXCIADLAYZGBW-UHFFFAOYSA-N 399.397 3.785 0 40 GHAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(-c3ccc4c(c3)CCC4)cs1)CS2 13009541 PIYWYIYJRQPDEV-UZLBHIALSA-N 399.541 3.691 0 40 GHAB COc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl 13340234 BXUUWJCJTYDDCY-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB CCn1c(=O)c(CNc2ccc(N3CCN(C)CC3)cc2)cc2cc(C)ccc21 13564234 CQRBNDFTSBPMFC-UHFFFAOYSA-N 390.531 3.694 0 40 GHAB CC[C@@H](C(=O)NC1CCCCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713883 NHRWDFSBQQNPKG-IBGZPJMESA-N 380.554 3.769 0 40 GHAB CCOC(=O)c1oc2ccccc2c1CN(C)C[C@H]1COc2ccccc2O1 14246374 RVSICNGPRUMONK-HNNXBMFYSA-N 381.428 3.881 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 18048411 OKXGCJONJIPNDB-OAHLLOKOSA-N 377.444 3.503 0 40 GHAB Cc1ccc([C@@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)nc2)nc1 19215506 CWCSNHSJGPKIJB-OAQYLSRUSA-N 394.544 3.757 0 40 GHAB Cc1ccccc1OC[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)nn2C)C1 19237365 DAPNGUIUCLZCDR-AWEZNQCLSA-N 381.398 3.679 0 40 GHAB CCn1c(CNC(=O)c2ccc(Cc3c(C)noc3C)o2)nc2ccccc21 19524363 SUQCCMNAZLGRSX-UHFFFAOYSA-N 378.432 3.775 0 40 GHAB Cc1ccc(Cc2ccc([C@H]3CN(Cc4cnn(C)c4C)CCO3)nc2)cc1 19692577 ICNBLTHKDGYYPO-HSZRJFAPSA-N 376.504 3.596 0 40 GHAB CC(C)(C)c1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 19901420 HHLFSEBDSQQYPL-OAQYLSRUSA-N 386.511 3.685 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 20112652 ZJVLPVTXIDABCG-HNAYVOBHSA-N 392.496 3.556 0 40 GHAB Cc1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc(C(=O)O)c1O 20152090 ZNOLQJNGDOTCHS-UHFFFAOYSA-N 399.255 3.832 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4ccccc4)nn32)cc1 20719668 SQJUFLOVHNLILB-SFHVURJKSA-N 389.415 3.680 0 40 GHAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 21063702 QLLVNOBQMQLRMN-OKILXGFUSA-N 389.927 3.814 0 40 GHAB COc1ccc(NC(=O)c2ccc(NCC(=O)N3CCC[C@@H](C)C3)cc2)cc1 21133664 SQDLLGWGRHELKV-MRXNPFEDSA-N 381.476 3.618 0 40 GHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H](C(=O)NC(N)=O)c1ccccc1 23872987 IHMGRBGXYOLRAI-IBGZPJMESA-N 397.862 3.968 0 40 GHAB CCc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 24367648 MBVMMOXBBXBQBK-AWEZNQCLSA-N 398.937 3.756 0 40 GHAB O=C(Nc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608504 UENCKRDSHSVNGK-UHFFFAOYSA-N 392.908 3.521 0 40 GHAB CN(C1C2CC3CC(C2)CC1C3)S(=O)(=O)c1ccc(Br)s1 24689716 HTTKCOAQXJRUOG-UHFFFAOYSA-N 390.368 3.956 0 40 GHAB O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2nc3ccccc3o2)CC1 26606927 DDLHYOZOCJUYAI-UHFFFAOYSA-N 389.377 3.805 0 40 GHAB CCN(CC)c1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 31914411 YFEIVCNIBISDRV-UHFFFAOYSA-N 381.476 3.677 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 32674304 RBTJLQAOIUPFIV-SFHVURJKSA-N 389.455 3.662 0 40 GHAB COc1ccc(OC)c(CCC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)c1 32827631 ZEXYYFCYWCKXJH-UHFFFAOYSA-N 396.531 3.679 0 40 GHAB CSc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1 36701665 YJVFSZXYNJBFPS-VHSSKADRSA-N 379.489 3.658 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1ccccc1OC(F)(F)F 36705661 XRGUOIUDZHSQQQ-YVEFUNNKSA-N 381.350 3.772 0 40 GHAB CCSc1nc2ncc3c(=O)n(-c4ccc(Cl)c(Cl)c4)ccc3n2n1 38783732 JCJJDFUNFQRXOK-UHFFFAOYSA-N 392.271 3.847 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)C1 40090850 JVFXEINGCGHNME-GJZGRUSLSA-N 380.444 3.786 0 40 GHAB O=C(Cc1c(Cl)cccc1Cl)NCCNc1ncnc2sccc12 40105364 QDKKZFKKGSECIY-UHFFFAOYSA-N 381.288 3.769 0 40 GHAB COc1ccc(Cl)cc1CS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 40106161 IZBSZPRZUUTUHE-UONOGXRCSA-N 395.908 3.529 0 40 GHAB COC(=O)c1cnc(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)s1 40131977 RDJFPTLLCFVJLR-UHFFFAOYSA-N 386.433 3.719 0 40 GHAB O=S(=O)(Cc1ccc(Cl)s1)c1nnc2c(Cl)cc(Cl)cn12 40152196 YKPABSFWRGGMCM-UHFFFAOYSA-N 382.681 3.725 0 40 GHAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44852834 DZYSEYKJUVIBOO-AZUAARDMSA-N 384.495 3.930 0 40 GHAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1 45806998 OPTDXBXFSUITQJ-ZDUSSCGKSA-N 380.897 3.989 0 40 GHAB CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 47407259 DQAZQZHGQMCRMS-AWEZNQCLSA-N 385.851 3.543 0 40 GHAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 47490497 RXEYXZITTDPLET-IBGZPJMESA-N 389.459 3.872 0 40 GHAB O=C(/N=c1\[nH]ccn1Cc1ccccc1)c1cc(-c2cccc(Cl)c2)on1 47710002 YKTTZGPEPLYAHN-UHFFFAOYSA-N 378.819 3.914 0 40 GHAB Cc1ccc2nc(COC(=O)[C@H](C)Oc3ccc(C(C)C)c(C)c3)cc(=O)n2c1 48354391 MSJDVGVXTSYAPK-KRWDZBQOSA-N 394.471 3.945 0 40 GHAB O=C(NCc1ccccc1F)c1snc(-c2ccccn2)c1NC(=O)C1CC1 49007823 BTGKUFCLLNJCCB-UHFFFAOYSA-N 396.447 3.623 0 40 GHAB Cc1ccc(-n2c(SCC(=O)N3CCCC3)nc3ccsc3c2=O)c(C)c1 57488427 LZWLFQNRBBCYAY-UHFFFAOYSA-N 399.541 3.779 0 40 GHAB CCc1cc(=O)n(CC(=O)N[C@H](C)CCc2ccccc2)c(-c2ccccc2)n1 57527283 PPXQEEBGUBSPNF-GOSISDBHSA-N 389.499 3.610 0 40 GHAB CC1CCN(Cc2cccc(CNS(=O)(=O)c3ccccc3F)c2)CC1 58265064 CKJHDOIXIFYNND-UHFFFAOYSA-N 376.497 3.536 0 40 GHAB COc1cccc(N2C(=O)C[C@H](c3ccc(F)cc3)c3sc(=O)n(C)c32)c1 66089867 AUTOHTYGVIJHBP-MRXNPFEDSA-N 384.432 3.795 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CCn1ccnc1)CC2 72280526 FCONJCYUATYCNE-OAQYLSRUSA-N 397.500 3.526 0 40 GHAB C[C@H](C(=O)Nc1ccnn1[C@H](C)c1cc(Cl)ccc1Cl)n1cncn1 72314237 WKUKCNQBIYLCAJ-GHMZBOCLSA-N 379.251 3.590 0 40 GHAB O=C(c1sc2ccccc2c1[C@H]1CCN(c2cccnc2)C1)N1CCOCC1 72355984 OYTGHBGGFWOPPD-INIZCTEOSA-N 393.512 3.763 0 40 GHAB O=C(CN1CCCC1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359679 YFMWGPNCQXXOSB-QGZVFWFLSA-N 384.911 3.599 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)cn1 72363174 USAYJGSXKYCHNJ-KRWDZBQOSA-N 390.443 3.692 0 40 GHAB Cc1cc2nnc(SC[C@H]3CO[C@H](c4ccc(Cl)cc4)O3)n2c(C)n1 89610803 YPGIOYOGGRIBIQ-ZBFHGGJFSA-N 376.869 3.601 0 40 GHAB C[C@H]1CCC[C@H](NC(=O)c2cccc(=O)n2CCOc2ccccc2Cl)C1 89927281 YEIJDVDWOFZAFB-HOTGVXAUSA-N 388.895 3.889 0 40 GHAB COc1ccccc1N1CC[C@@H](N2CCC(OCc3ccc(F)cc3)CC2)C1=O 91887897 YGZYMIWUAXZZOO-OAQYLSRUSA-N 398.478 3.621 0 40 GHAB CC(C)Cc1nnc([C@H](C)N2CCN(CCOc3ccccc3Cl)CC2)o1 95958271 MYCFTAWKXSZJJR-INIZCTEOSA-N 392.931 3.679 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(C1CCCCC1)CC2 96319723 JCOVILCFVSITPQ-MOXGXCLJSA-N 398.551 3.583 0 40 GHAB CC(=O)N[C@@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C2CCCCC2)CC1 100223332 CPSZZXCUBOXVFI-SOLBZPMBSA-N 377.554 3.823 0 40 GHAB Nc1cccc(C(=O)Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 100268862 KYHZKDSABHBQNC-UHFFFAOYSA-N 397.649 3.960 0 40 GHAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 101698164 SFOYQYCGDBJZLF-DZKIICNBSA-N 384.863 3.549 0 40 GHAB CC[C@@H](NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1 113934491 CPHUXYMETQZDSP-HXUWFJFHSA-N 388.533 3.645 0 40 GHAB Cc1cccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1C 113940466 XZDAGNZFDOJORR-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB CC[C@@H](NC(=O)COc1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1 218915953 PHTVSMJRPKOTIY-HXUWFJFHSA-N 397.496 3.890 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 222431477 HTPKKVQOSILTDM-GOSISDBHSA-N 382.504 3.661 0 40 GHAB C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1F 223132852 LVFJWZNVXDWPHT-KRWDZBQOSA-N 384.495 3.743 0 40 GHAB Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 223923719 SKUPXGCRZIWPLQ-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)n1C 224007432 UNQHABRSQDXYAK-UXHICEINSA-N 392.484 3.634 0 40 GHAB COc1ccc(Br)cc1CN1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 224084729 FRJUIIYCYYSTGB-BBWFWOEESA-N 391.353 3.788 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 224175259 WWQBFKNDXFPOIZ-LJQANCHMSA-N 382.504 3.563 0 40 GHAB C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1)c1ccsc1 225436288 DRQVPGSHOMNZCQ-CQSZACIVSA-N 381.457 3.794 0 40 GHAB COc1ccc(CCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1C 225587233 OQGIMKVYSSPQSP-UHFFFAOYSA-N 385.851 3.956 0 40 GHAB CC1CCN(c2cc(C(F)(F)F)nc(NC(=S)NC(C)(C)C)n2)CC1 225896356 OGABMSJAXAALJM-UHFFFAOYSA-N 375.464 3.817 0 40 GHAB CCc1cc(I)ccc1NC(=O)c1cccc(N)c1C 226268991 ZIMAANYDMQFMQD-UHFFFAOYSA-N 380.229 3.997 0 40 GHAB O=C(Cc1cccs1)N1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257232627 GLRRMBNICABFIV-SFHVURJKSA-N 386.448 3.609 0 40 GHAB O=C(CN1CCCC1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257273396 NGKADXDHAYMXPT-KRWDZBQOSA-N 387.911 3.721 0 40 GHAB Cc1ccc(-n2nccc2-c2nc(C(=O)N[C@@H](C)C(C)C)c3cnccn23)cc1 306123857 AYOPYWAXJKXJCS-INIZCTEOSA-N 388.475 3.665 0 40 GHAB Fc1ccccc1CN1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 306136616 PYLFAUBEWBXDDF-GOSISDBHSA-N 379.483 3.848 0 40 GHAB COc1cccc(CN2C[C@H]3[C@@H](C2)N(Cc2cccs2)C(=O)c2cccn23)c1 306139699 TXYROJXOXSRKAE-LEWJYISDSA-N 393.512 3.640 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)NCCCCc3ccccc3)CC2=O)cc1 408707861 MGUZLMYOTIVYIM-HXUWFJFHSA-N 394.515 3.967 0 40 GHAB Cc1ccc(-c2nnc(CN(C)S(=O)(=O)c3c(C)cc(C)cc3C)o2)cc1 408713954 DQIWYGAFFTVLET-UHFFFAOYSA-N 385.489 3.791 0 40 GHAB CCOc1cc(Br)cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1O 409024868 YNHSHYGTYIINMO-WUXMJOGZSA-N 386.267 3.998 0 40 GHAB Cn1nccc1[C@@H]1C[C@@H](Nc2ncc3scc(Br)c3n2)CCO1 566483051 SSJWJGQUGPAMQQ-CABZTGNLSA-N 394.298 3.520 0 40 GHAB COc1c(F)cc(F)cc1NC(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C 581902102 BQOQXKRSVHAQQO-NSHDSACASA-N 391.422 3.831 0 40 GHAB COc1cc(NC(=O)N2CC3(CCCC3)[C@@H]2C(C)C)cc(S(C)(=O)=O)c1 581927323 DGAASLWHZMMFLM-KRWDZBQOSA-N 380.510 3.531 0 40 GHAB CCc1nc2ccc(C(=O)NCc3cccnc3-c3cnn(C)c3)cc2s1 585406245 GEFSKOXJDKVJML-UHFFFAOYSA-N 377.473 3.584 0 40 GHAB Cc1cc(C(=O)N[C@H]2CO[C@H](C3CC3)C2)c2cc(Br)ccc2n1 629136807 JZNJRRPNGPBNRW-DYVFJYSZSA-N 375.266 3.603 0 40 GHAB COC(=O)c1ccnc(C(=O)N2CC[C@@H](c3cc(F)c(F)c(F)c3)C2(C)C)c1 1134180276 NDXIJQJRVBCQIQ-ZDUSSCGKSA-N 392.377 3.694 0 40 GHAB O=C(Cc1ccc2c(c1)OC(F)(F)O2)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 1149845250 QJUIQTSYXJVZPH-UHFFFAOYSA-N 393.296 3.858 0 40 GHAB CCCCc1nc(C)c(CC(=O)N2CC3(CCC3)[C@](F)(C(=O)OCC)C2)s1 1557459459 OCKNXYPVMBNOSI-HXUWFJFHSA-N 396.528 3.621 0 40 GHAB Cc1oncc1CN1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1889007679 QUEMESRHZNSAPE-UHFFFAOYSA-N 386.459 3.763 0 40 GHAB O=C1COC2(CCN(Cc3ccc(F)c(F)c3)CC2)CN1c1cccc(F)c1 2037841130 XGOXERAIGKZUFO-UHFFFAOYSA-N 390.405 3.502 0 40 GHAB CCOC(=O)N(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 630724 AQWZXTOJAHANMZ-UHFFFAOYSA-N 384.251 3.801 0 40 GHAB COC(=O)c1sc2ncn(Cc3ccc(Cl)cc3Cl)c(=O)c2c1C 791169 IGBJIGMNOJDVPW-UHFFFAOYSA-N 383.256 3.908 0 40 GHAB COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)c1 862527 QFRXPPSKKQIMTL-QGZVFWFLSA-N 387.892 3.780 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)c(OC)c1 2213483 ZUXPAZCMWFLGRO-UHFFFAOYSA-N 398.488 3.539 0 40 GHAB CN(C)c1ccc(-c2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)cc1 2435152 BPENZXIDLWFIQF-UHFFFAOYSA-N 379.489 3.923 0 40 GHAB O[C@@H](CNCc1ccc2c(c1)OCO2)COC(c1ccccc1)c1ccccc1 3241845 RONDAJWYZPIZRY-NRFANRHFSA-N 391.467 3.672 0 40 GHAB CCOc1ccccc1NC(=O)[C@H](Sc1nnc(N)s1)c1ccccc1 3358591 OJIROHUDQXJHKT-OAHLLOKOSA-N 386.502 3.991 0 40 GHAB Cc1cc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)no1 3392550 MPYKPXRMAYSEHF-UHFFFAOYSA-N 387.219 3.631 0 40 GHAB CN(C)c1cccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)c1 3399950 UEAINNAWMNCBKT-UHFFFAOYSA-N 381.259 3.533 0 40 GHAB Cc1cnc(C(=O)OCC(=O)c2cc(C)n(Cc3ccccc3Cl)c2C)cn1 3428511 PEMRPIOASRFPPG-UHFFFAOYSA-N 397.862 3.945 0 40 GHAB C[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(F)cc1Cl 3504057 AFIKUIQMYOFQQK-JTQLQIEISA-N 377.832 3.574 0 40 GHAB COc1cccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@](O)(C(F)(F)F)C2)c1 4009329 XVTAXVGWIVEPGG-QGZVFWFLSA-N 398.768 3.850 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)c1 4328022 FEVHQBYGXVHOOK-UHFFFAOYSA-N 390.472 3.534 0 40 GHAB Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 4341518 IUKSNMWBXUSFPA-UHFFFAOYSA-N 393.447 3.994 0 40 GHAB Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H](C)C(C)C)c(=O)c23)cc1C 5263774 BIRDLNTVHSWKDP-HNNXBMFYSA-N 383.517 3.903 0 40 GHAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1ccc(F)cc1)CCS3 5451198 VKJKXKITFMUEQT-UHFFFAOYSA-N 381.432 3.653 0 40 GHAB C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc(CO)c(C=O)c1O2 6031121 QKXGRPHIBLICSC-QJAXDWLUSA-N 388.504 3.604 0 40 GHAB biogenic CCc1nnc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)s1 6144960 ZCKOQHGASLTQKL-UHFFFAOYSA-N 381.870 3.535 0 40 GHAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1Br 6384247 IXCVATNITNMXME-UHFFFAOYSA-N 387.233 3.655 0 40 GHAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 6602253 LUXIVTGGOMUTOR-UHFFFAOYSA-N 378.519 3.520 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 6626609 RRJGZLHNNFFPIX-OAHLLOKOSA-N 376.378 3.735 0 40 GHAB O=C(COC(=O)CCC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 7396114 QPPIINCKPATUEU-UHFFFAOYSA-N 379.334 3.850 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c(C)c1 7421505 QWDWFOIQUIMMRC-UHFFFAOYSA-N 396.394 3.704 0 40 GHAB CC(C)(C)c1cc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)on1 7737151 SDPLOWSRSADSJN-UHFFFAOYSA-N 388.427 3.924 0 40 GHAB Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)OCO3)c(C)n1Cc1ccco1 7781953 IULMSSYMCKAPJT-HNNXBMFYSA-N 395.411 3.903 0 40 GHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(c2ccncc2)CC1 8122765 QHYJJFWMGPPWIR-UHFFFAOYSA-N 384.439 3.852 0 40 GHAB CCc1cc(=O)oc2cc(OC(=O)[C@@H](C)NC(=O)OCc3ccccc3)ccc12 8199567 GTRMBSWMXVGUJH-CQSZACIVSA-N 395.411 3.576 0 40 GHAB biogenic O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cccc(C(F)(F)F)c1 8274387 JFIWJBBNMVFXIV-MRXNPFEDSA-N 376.334 3.612 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1C 9168805 WJERMEUQJXIMNV-UHFFFAOYSA-N 388.489 3.770 0 40 GHAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NC1CCCC1 9577360 TVZLHUQUBUXHNO-UHFFFAOYSA-N 379.412 3.603 0 40 GHAB biogenic CC(C)Cn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1ccncc1 9595011 SNWGUKRJTXDOFT-UHFFFAOYSA-N 399.495 3.544 0 40 GHAB Cc1nnc(NC(=O)CSc2ccc(C)c(NC(=O)c3ccccc3)c2)o1 9614830 OEEZUXXRAWJZKB-UHFFFAOYSA-N 382.445 3.670 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)CSc1nnc(-c2ccco2)n1C 11152156 DQINQQNEFYLHJJ-UHFFFAOYSA-N 394.859 3.618 0 40 GHAB COc1cc(OC)c(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1Cl 11603629 OGIARQGEITUOIQ-UHFFFAOYSA-N 388.851 3.665 0 40 GHAB CC(C)Cc1cc(C(=O)N2CCC(c3ncncc3-c3ccncc3)CC2)no1 12088665 PQABOBJQRUXARW-UHFFFAOYSA-N 391.475 3.745 0 40 GHAB Cc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3cccnc3)CC2)cc1 12089578 GUGDIADIGCKUJS-XMMPIXPASA-N 391.490 3.933 0 40 GHAB COc1ccc(CN(Cc2cnc(C(C)C)nc2)C[C@H]2CCCO2)c(OC)c1 12187251 JMXGJZVYYOMVHM-HXUWFJFHSA-N 385.508 3.798 0 40 GHAB Cc1onc(-c2ccncc2)c1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 12197098 FMYPKWHRKNKETD-UHFFFAOYSA-N 390.443 3.923 0 40 GHAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1nc(-c2cccnc2)cs1 12633530 KCUGLLATGQXFBH-AWEZNQCLSA-N 378.457 3.735 0 40 GHAB COCc1nc(OC)c2c(C)c(C(=O)N(C)Cc3cccc(F)c3)sc2n1 12685272 NBLMZFSGXZOCGI-UHFFFAOYSA-N 389.452 3.566 0 40 GHAB O=C(CCSc1nnc(Nc2ccccc2)s1)NC(=O)NC1CCCC1 12738286 CYPWUQJARHMLHL-UHFFFAOYSA-N 391.522 3.532 0 40 GHAB O=C(NC1CCCC1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F 12745230 SAFVHWLUSSUMQD-UHFFFAOYSA-N 392.303 3.977 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12751350 HYXUIXUQEOTSAG-RTBURBONSA-N 379.504 3.523 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 12867237 NLIYNTVVUUDGJU-CQSZACIVSA-N 399.882 3.561 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1OC 12894505 LACDBUSNRCDZQL-GOSISDBHSA-N 381.881 3.787 0 40 GHAB CC[C@H](CNC(=O)Cn1c(S)nnc1-c1cccc(C)c1)c1ccccc1 12899380 FLDPWNBPMKUIKE-MRXNPFEDSA-N 380.517 3.852 0 40 GHAB CCCNC(=O)c1cc(S(=O)(=O)N[C@H](C)CCC)c(Cl)cc1Cl 12924843 JGPZUAKOZOCMHF-SNVBAGLBSA-N 381.325 3.600 0 40 GHAB CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)NC1CCCC1 13325482 KJQWNZOYUNKOAR-UHFFFAOYSA-N 388.537 3.645 0 40 GHAB CC[C@H](C(=O)Nc1ccc(Cl)cc1C)N(c1ccccc1)S(C)(=O)=O 13711249 FEPXDHPZUBECPR-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715177 GAVLSYALEIHJJO-QGZVFWFLSA-N 378.469 3.626 0 40 GHAB COc1cc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc(OC)c1OC 15839601 UUVBGHQFKNGQSV-FQEVSTJZSA-N 378.428 3.627 0 40 GHAB Cc1ccccc1CN(C)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 16339406 ULDVZJQYZATVNL-FQEVSTJZSA-N 380.488 3.562 0 40 GHAB Cc1cccc(OCCCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 16709154 HNWFNUKMNVSCJR-UHFFFAOYSA-N 398.478 3.572 0 40 GHAB O=Cc1cn(CC(=O)NCCc2ccccc2)c2ccc(Br)cc12 17078640 JTILKRHBJKWUIF-UHFFFAOYSA-N 385.261 3.575 0 40 GHAB C[C@H]1Sc2ccc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cc2NC1=O 18047638 WXVHCTUONINNPE-ZIAGYGMSSA-N 392.484 3.796 0 40 GHAB Cc1cc2cc(C(F)(F)F)nc-2n(CC(=O)NCCOc2ccccc2)c1 19124852 DEIZDZLPBXPUKH-UHFFFAOYSA-N 377.366 3.510 0 40 GHAB Cc1ccccc1-c1ncc(CN2CC[C@]3(CCc4ccccc4C(=O)N3)C2)cn1 19237549 KMQBMOCXFHMHFY-RUZDIDTESA-N 398.510 3.773 0 40 GHAB O=C(NCc1noc(-c2ccc(Cl)cc2)n1)[C@@H](c1ccccc1)N1CCCC1 19369179 DIQZLJKOSOBJHG-LJQANCHMSA-N 396.878 3.843 0 40 GHAB O[C@H](c1nccs1)c1cccc(F)c1N1CCN(CCc2ccccc2)CC1 19371326 XFQDQHMHBKJEAD-NRFANRHFSA-N 397.519 3.729 0 40 GHAB CCOC(=O)C1(C[C@H]2CC(c3ccccc3C)=NO2)CCN(CC2CC2)CC1 19530195 JFRGYYZTCTWUGI-LJQANCHMSA-N 384.520 3.933 0 40 GHAB O=C(Nc1ccc(CN2CCCCCC2)cc1)c1ccc(-n2cnnc2)cc1 19655982 SOOHRXSVWUFRNX-UHFFFAOYSA-N 375.476 3.896 0 40 GHAB CC1CCN(c2ncc(CNCC3(c4cccc(F)c4)CCOCC3)cn2)CC1 19715748 JURWCSVQUIHCII-UHFFFAOYSA-N 398.526 3.690 0 40 GHAB CC[C@H](C(=O)Nc1cc(OC)ccc1OC)n1nc(-c2ccccc2)ccc1=O 20095404 HFXONVAODZSMJF-LJQANCHMSA-N 393.443 3.517 0 40 GHAB C[C@H](CO)Nc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 20358495 VKCUQHUMOZHZEM-CYBMUJFWSA-N 397.548 3.901 0 40 GHAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2cccc(OC)c2)cc1 20744892 YZPOWLVHARBISS-GOSISDBHSA-N 392.415 3.739 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccc(F)cc1 20798513 ATQGOCJUQCHMHC-SFHVURJKSA-N 396.418 3.654 0 40 GHAB CN(Cc1c(F)cccc1Cl)[C@@H](C(=O)N1CCOCC1)c1ccccc1 21698131 UWHMDCNFGXATQZ-LJQANCHMSA-N 376.859 3.511 0 40 GHAB O=C(NCCCN1CCCCC1)c1cc(-c2ccco2)nn1-c1ccccc1 22518477 CFESMCJJVJYKJJ-UHFFFAOYSA-N 378.476 3.738 0 40 GHAB COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccsc1)N1CCOCC1 22679264 QDXPPRCRIDGPFN-MRXNPFEDSA-N 395.912 3.605 0 40 GHAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc(C)c3NC(C)=O)o2)cc1 22764648 OYOQQUTTXOFXNR-ZDUSSCGKSA-N 395.415 3.930 0 40 GHAB CC[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3cccc(OC)c3)cc2C1 24589980 MIIUYRDCJIXMPY-CQSZACIVSA-N 386.517 3.982 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)CSCCc1ccccc1)c1cccc(F)c1 24830595 QZHMRSKNELOGRP-FQEVSTJZSA-N 383.492 3.741 0 40 GHAB COc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)o1 28234053 KMHMZAPVRGOKJM-UHFFFAOYSA-N 381.384 3.891 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(-n2cccn2)nc1 32802651 QXYPNSUVTXIGLF-UHFFFAOYSA-N 375.885 3.714 0 40 GHAB Cc1cccc2c(=O)n(CCCC(=O)N(C)[C@H]3CCc4ccccc43)cnc12 32905313 XQVLXBRVIJOFEW-FQEVSTJZSA-N 375.472 3.631 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)COc1cccc(C(F)(F)F)c1)OCO2 35337425 NCNFYNUJMHVNJD-UHFFFAOYSA-N 381.306 3.654 0 40 GHAB C[C@@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)NCc2ccccc2Cl)N=C1O 36594890 FYRBWWSUTJMOOW-KBXCAEBGSA-N 399.878 3.622 0 40 GHAB O=C(NCCCN1CCO[C@H](c2ccccc2)C1)c1ccccc1C(F)(F)F 36699950 RLLSWYZCGGSZRD-IBGZPJMESA-N 392.421 3.899 0 40 GHAB Cc1nccn1Cc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1 38831790 BGJCLWUPGVXNDK-UHFFFAOYSA-N 388.515 3.766 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cn1 40073466 UQQQKOOQNQTXQU-OAHLLOKOSA-N 394.258 3.640 0 40 GHAB CC(C)[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NC[C@@H]1CCCO1 43052063 XNGPUYNTHNTSRV-RDJZCZTQSA-N 378.469 3.893 0 40 GHAB O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Cl)s1 44006349 DHIIJBUYPUZCOH-UHFFFAOYSA-N 380.872 3.823 0 40 GHAB O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1)N1CCCC1 44257127 SROJCXGYWZXKDT-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2F)CC1 44817755 FQZCGNMCQJXKOR-UHFFFAOYSA-N 382.357 3.572 0 40 GHAB COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 44899714 BTAVKIDUCAKURG-GFCCVEGCSA-N 375.446 3.610 0 40 GHAB COc1cc(OC)cc(C(=O)NCc2ccc(OC3CCCC3)c(OC)c2)c1 48281243 YBKBTLCTFJHWEU-UHFFFAOYSA-N 385.460 3.964 0 40 GHAB Cc1cccc(NC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)c1 49003167 QXODBTVYWZULSH-UHFFFAOYSA-N 395.890 3.795 0 40 GHAB O=c1c2c3c(sc2ncn1C[C@H](O)c1ccc(OC(F)(F)F)cc1)CCC3 51265264 GSMPYGJRXYPNDT-ZDUSSCGKSA-N 396.390 3.579 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCCCCC1 52410634 NNQPXRXEQGEMKO-UHFFFAOYSA-N 379.526 3.659 0 40 GHAB COc1ccccc1OCCN(C)CC(=O)N[C@@H](C)c1ccccc1Cl 52451540 SJOKQYKDKRTFLN-HNNXBMFYSA-N 376.884 3.537 0 40 GHAB COC(=O)c1ccoc1CSc1nc(-c2ccccc2Br)n[nH]1 55311158 SVRBCLYMBRMHJU-UHFFFAOYSA-N 394.250 3.906 0 40 GHAB C[C@@H](NCC(=O)Nc1ccccc1I)c1ccccc1 58160701 LEGUIKCFWZQPLF-GFCCVEGCSA-N 380.229 3.581 0 40 GHAB CCn1cc(Br)cc1C(=O)NCc1ccc(NC(=O)C(C)C)cc1 58194743 PPROBCYIZPIZCO-UHFFFAOYSA-N 392.297 3.795 0 40 GHAB C[C@@H]1CCc2c(sc3ncn(Cc4noc(Cc5ccccc5)n4)c(=O)c23)C1 68042402 NPSVVLPZNGQVKJ-CYBMUJFWSA-N 392.484 3.605 0 40 GHAB COCCCN(C)C(=O)c1cccnc1Oc1ccc(Br)cc1 69365588 DEXOPDNTEQIRTM-UHFFFAOYSA-N 379.254 3.745 0 40 GHAB O=c1oc2ccccc2n1CCCN1CCN(Cc2ccc(Cl)s2)CC1 71853533 VAMUJQSPLBXHNB-UHFFFAOYSA-N 391.924 3.517 0 40 GHAB Cc1nc(COc2ccc(C(=O)N3CCCc4cc(F)cc(F)c43)cc2)no1 72272689 BGAXQJMZETUUEH-UHFFFAOYSA-N 385.370 3.828 0 40 GHAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 72354156 BBPVSRKDHXMQHM-LJQANCHMSA-N 392.478 3.873 0 40 GHAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 72377133 OJYXOUSTNJDNJU-MRXNPFEDSA-N 397.479 3.997 0 40 GHAB O=C(NC[C@](O)(c1ccco1)C1CC1)NC(c1ccccc1)c1ccccc1 77099486 VKTGITCRJQFIQV-HSZRJFAPSA-N 376.456 3.966 0 40 GHAB CC(C)(C)OC(=O)N1CCC(NCCc2cccc(Br)c2)CC1 89212617 VYSFDVBUAJBGAI-UHFFFAOYSA-N 383.330 3.981 0 40 GHAB C[C@@H](c1ccc(OC(F)(F)F)cc1)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1 89904812 ISDVVXGHEAQOSG-MAUKXSAKSA-N 385.474 3.747 0 40 GHAB O=C(NCc1ccccc1)c1cc(NCc2ccnc(N3CCCC3)c2)ccn1 95958631 SOLZUZSNCYJVLB-UHFFFAOYSA-N 387.487 3.619 0 40 GHAB CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(F)cc2)C1 95993590 LCUSRZULRHVRJQ-KBPBESRZSA-N 390.377 3.886 0 40 GHAB CC(C)Sc1ccc(CC(=O)NCCn2ccc(-c3ccccn3)n2)cc1 96098901 GYHLNUMMWZQBLO-UHFFFAOYSA-N 380.517 3.805 0 40 GHAB COc1ccc(CNC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1 96112922 AVCGSSRFMSCWPF-IBGZPJMESA-N 383.879 3.901 0 40 GHAB biogenic,in-vitro C[C@@H](Cc1cc(O)n2ncc(-c3ccc(F)cc3)c2n1)n1nnc2ccccc21 100775494 RRAGBXWHGCRYHL-ZDUSSCGKSA-N 388.406 3.789 0 40 GHAB Cc1ccc2cc3c(nc2c1)N(NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C)CC3 101023419 GMWKESSKADELAE-DHIUTWEWSA-N 377.488 3.722 0 40 GHAB Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccco5)ccc4[nH]cc-3c2=O)cc1 101281866 NPPXQZMFMVGERM-UHFFFAOYSA-N 398.422 3.650 0 40 GHAB O=S(=O)(c1cccs1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219345859 LJFIQGSUXIQAFF-CQSZACIVSA-N 375.487 3.895 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 222398986 TZEMWBRKFQKYBE-HNNXBMFYSA-N 390.936 3.904 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl 222570233 ONAKEGCGFGXEOD-ZDUSSCGKSA-N 395.286 3.536 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 223093308 HBLDOJMHWRYVQV-IBGZPJMESA-N 382.504 3.707 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)cc1C 225488849 QRVIBWDJXDNIJC-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB Cc1ccc(OCCNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 225563313 PTSLEPSCHMGNFQ-UHFFFAOYSA-N 383.517 3.796 0 40 GHAB COc1ccc(-c2cncc([C@@H]3CN(Cc4ccccc4F)CCO3)n2)cc1 257206842 BFBZJTNJVZOJSH-QFIPXVFZSA-N 379.435 3.865 0 40 GHAB O=S(=O)(c1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257221567 DPPVGKVAYGDPPT-LJQANCHMSA-N 383.473 3.576 0 40 GHAB Cc1noc(C)c1COc1ccc(CN(C)C[C@H](O)COc2ccccc2)cc1 257284666 PDSMXPYNYHSFFN-FQEVSTJZSA-N 396.487 3.742 0 40 GHAB COc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2OC)cc1 408841741 KMHXJTSETMVUJP-HMMYKYKNSA-N 385.423 3.933 0 40 GHAB CC(=O)N[C@H](Cc1nc(-c2ccc(F)c(F)c2)no1)c1c(F)cccc1F 518341050 ANZVCZAGMVDWPV-OAHLLOKOSA-N 379.313 3.713 0 40 GHAB COCCn1ccc2ccc(C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)cc21 524732918 ZYJVNTIVGOEEJP-LJQANCHMSA-N 394.471 3.722 0 40 GHAB CN1CC[C@@](O)(CN[C@@H](c2sccc2Br)C2CCCCC2)C1 556573023 MHJBGWCKQQJQMY-NVXWUHKLSA-N 387.387 3.788 0 40 GHAB O=C(c1ccnc(C(F)(F)F)c1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 585083932 JRUFTTIXMAWKRO-HNNXBMFYSA-N 389.377 3.665 0 40 GHAB Cc1ccc(NC(=O)c2c(C3CCC3)cnn2C)cc1NC(=O)c1ccncc1 585101641 BTLLQDHEYUONHB-UHFFFAOYSA-N 389.459 3.896 0 40 GHAB COc1ccc(C[C@H](C)CNC(=O)N2C[C@H](C)C(F)(F)[C@H](C)C2)cc1OC 623823630 CTNFZGRHKKCKSZ-SOUVJXGZSA-N 384.467 3.815 0 40 GHAB CN(C(=O)c1nnn([C@@H]2CCNC2)c1C(F)F)c1ccc(-c2ccccc2)cc1 638023793 ZXPHGIUKVIOJHX-QGZVFWFLSA-N 397.429 3.694 0 40 GHAB CC(C)CN1CCCN(C(=O)Cc2ccccc2)c2ccccc2CNCC1 643588094 ARCNWNVGTXQSKU-UHFFFAOYSA-N 379.548 3.714 0 40 GHAB Cc1nc(NC(=O)N(C)C[C@@H](O)C2CC2)sc1Cc1ccc(F)cc1F 653675487 XCSASXDINHIXEW-OAHLLOKOSA-N 381.448 3.555 0 40 GHAB Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1N(C)S(=O)(=O)c1ccccc1 1073668468 DHNASRUKMQDEGV-ABSDTBQOSA-N 398.528 3.739 0 40 GHAB Cc1ccc2c(c1)NC(=O)C[C@@H]1CCN(C(=O)c3cccs3)C[C@@H]1CCO2 1534646128 CKBOWRJICMQDQS-HOTGVXAUSA-N 384.501 3.946 0 40 GHAB Cc1nccn1CCC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615159896 QHOILTNUSDFGCA-PMACEKPBSA-N 384.499 3.769 0 40 GHAB O=C(NCc1ccccc1)[C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595768 LTMQSUQMEDIXAD-URVUXULASA-N 380.463 3.534 0 40 GHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CC2)[C@@H]1CNC(=O)Nc1cccc(C(F)(F)F)c1 1775964236 YDCSIRJLXBZVBR-IAOMBJDPSA-N 395.425 3.862 0 40 GHAB biogenic,in-vitro CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)Cc2cccs2)C1 1889148725 LGEHSDRZPOMFFV-CYBMUJFWSA-N 383.439 3.832 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nnc1-c1ccncc1 796416 CESKHRMSSXNJPQ-UHFFFAOYSA-N 381.505 3.645 0 40 GHAB Cc1cccc2cc(CN(Cc3ccco3)C(=S)NCC(C)C)c(=O)[nH]c12 1224265 PLIMTTADXKYYMW-UHFFFAOYSA-N 383.517 3.962 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)C3CCC3)s2)cc1Cl 1371471 CJCSDNQVTYHUNO-UHFFFAOYSA-N 396.925 3.969 0 40 GHAB O=C1c2ccccc2C(=O)N1CCSc1ncnc2sc3c(c12)CCC3 1514883 UFXGPXRJGKARPL-UHFFFAOYSA-N 381.482 3.568 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCN(c2nc3ccccc3nc2Cl)CC1 2388156 ACEILHGSIKKVNF-UHFFFAOYSA-N 387.270 3.899 0 40 GHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccn(Cc2ccc(Cl)cc2)n1 2732219 QJCFOCCNPIUGCR-IBGZPJMESA-N 399.834 3.883 0 40 GHAB COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)c1 3386175 LMFFNGVPBYRRGL-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB CC(C)(C)c1ccc(C(=O)NC(=O)CSc2nncn2-c2ccccc2)cc1 3428912 RNYGTNIIICTTLE-UHFFFAOYSA-N 394.500 3.614 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(C(=O)c2ccccc2)cc1 3437924 PIFWCPKNQIOHCF-UHFFFAOYSA-N 386.451 3.903 0 40 GHAB O=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 3561892 MRIMFDQQRDXLKY-UHFFFAOYSA-N 399.925 3.614 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1OC 3601277 BFDUFYVBDNGGFQ-UHFFFAOYSA-N 393.233 3.896 0 40 GHAB Cc1ccc(-n2nnc3c(SCC(=O)Nc4cccc(C)c4)ncnc32)cc1 4166594 KEFBFLCJRYNKMT-UHFFFAOYSA-N 390.472 3.558 0 40 GHAB CCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(OCC)ccc21 4193311 IOMRPPRUTNJDNW-UHFFFAOYSA-N 385.485 3.951 0 40 GHAB Cc1ccc(C)c(Cc2c(C)nc(N3CCN(c4ccccc4)CC3)[nH]c2=O)c1 4626387 XQXNXVJWNWEJHS-UHFFFAOYSA-N 388.515 3.613 0 40 GHAB Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccsc4c(=O)s3)C2)cc1 4878286 OOCGUJPFOKKFEE-HNNXBMFYSA-N 399.541 3.559 0 40 GHAB COc1ccc(-c2noc(-c3nnn(-c4ccc(C(C)C)cc4)c3N)n2)cc1 5043200 KTVOYURNAXAIER-UHFFFAOYSA-N 376.420 3.699 0 40 GHAB C[C@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)C(=O)O 5151718 FCINBALSWFRUGZ-NSHDSACASA-N 386.498 3.560 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 5200076 DALJJIVUFDEESD-AWEZNQCLSA-N 394.393 3.948 0 40 GHAB CC(=O)c1cccc(NC(=O)CN2CCc3cc4c(cc3[C@@H]2C)OCCCO4)c1 5423199 KTXSHSBMTMNEQH-HNNXBMFYSA-N 394.471 3.608 0 40 GHAB COc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 5438664 BRIUQEFZQXNCNU-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB COc1ccccc1NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5439455 NRICGKBVBZEVMK-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB COc1ccc(C(=O)Nc2nonc2-c2ccc(OC)c(OC)c2)cc1Cl 5451945 RUPCNQRICRCGRU-UHFFFAOYSA-N 389.795 3.668 0 40 GHAB O=C(COc1ccc(C2SCCS2)cc1)NCc1ccc2c(c1)OCO2 5584317 FXLZFOXUKJTJGF-UHFFFAOYSA-N 389.498 3.589 0 40 GHAB Cc1cnc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)s1 6320317 UJBLECPICUGXPV-UHFFFAOYSA-N 379.441 3.620 0 40 GHAB COC(=O)[C@H](CC(C)C)NC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 6364551 IDDHVDCBBDNDPQ-APWZRJJASA-N 390.524 3.869 0 40 GHAB O=C1C[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)CN1Cc1ccccc1 6606891 BINNYMSPKISWPW-SFHVURJKSA-N 394.496 3.919 0 40 GHAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCC)cc2)SC1=S 6635801 NMCSLMCZSUMVJB-AYYGCFCKSA-N 379.503 3.930 0 40 GHAB CCc1ccccc1OCC(=O)Nc1ccc(Br)cc1C(=O)OC 6654003 GRROGJOFIKPRNL-UHFFFAOYSA-N 392.249 3.816 0 40 GHAB O=c1c2sccc2n(CCOc2ccccc2)c(=O)n1CCc1ccccc1 6679432 GVBQTDZNCDVFRQ-UHFFFAOYSA-N 392.480 3.546 0 40 GHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O 6939103 XGCWJJJJXFLBSL-IQGJIOQQSA-N 390.505 3.911 0 40 GHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1Br 6954715 ZZXVZBGKZXMWGZ-UHFFFAOYSA-N 395.278 3.593 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 7872066 PNNNRHIJSCDGMO-AWEZNQCLSA-N 378.469 3.742 0 40 GHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cccc(C(C)=O)c2)CC1=O 7881871 WCOMTVIYRDGTCP-CQSZACIVSA-N 386.835 3.543 0 40 GHAB Cc1ccc(OCC(=O)N[C@H]2CCOc3ccccc32)c(Br)c1 8029261 BLMXIZHGCWYWED-HNNXBMFYSA-N 376.250 3.776 0 40 GHAB Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)Nc1cccc(Cl)c1 8413897 UQJRIMJJZSHCJO-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1C 8558430 XZFDKWNBEJUBKJ-AWEZNQCLSA-N 387.432 3.513 0 40 GHAB Cc1csc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)n1 8906959 BUABIFZHBKYBEM-UHFFFAOYSA-N 391.452 3.543 0 40 GHAB Cc1cc(SCC(=O)OCC(=O)N(C)c2ccccc2)nc2ccccc12 8931119 GBCFNRQYROVWNX-UHFFFAOYSA-N 380.469 3.842 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc(S(C)(=O)=O)cc3)ccc2c1 9575815 UYOCTCMWGNHBOT-AWEZNQCLSA-N 383.469 3.994 0 40 GHAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(N2CCCCC2)cc1 9944350 FZNVAEXKLISOPJ-UHFFFAOYSA-N 393.487 3.821 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)CNc2ccccc2Br)c1 11621266 QRUKPRWMWNPNAJ-UHFFFAOYSA-N 377.238 3.595 0 40 GHAB C[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@@H](C)O1 11922023 KTBJNTKZXKSNPM-QZTJIDSGSA-N 375.472 3.848 0 40 GHAB Cc1nn2c(NCCCN3CCCC3=O)c3c(nc2c1-c1cccs1)CCC3 12113404 DYWITWTXUSYFKS-UHFFFAOYSA-N 395.532 3.679 0 40 GHAB COc1ccccc1C[C@@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 12196579 UXBKKMLZLFHNTL-CYBMUJFWSA-N 395.425 3.537 0 40 GHAB CC(=O)Nc1cccc(-n2cnnc2SCC(=O)c2ccc3c(c2)CCC3)c1 12538038 BPUBOSPPYCJPEM-UHFFFAOYSA-N 392.484 3.689 0 40 GHAB C[C@H](NC(=O)COc1cccc(-n2cnnn2)c1)c1ccc(-c2ccccc2)cc1 12588433 DUGCJHQTMICUKN-KRWDZBQOSA-N 399.454 3.586 0 40 GHAB CCC(CC)NC(=O)Cn1c([C@H](C)NC(=O)c2ccccc2)nc2ccccc21 12601701 UKRCHSXYTDYLHW-INIZCTEOSA-N 392.503 3.832 0 40 GHAB Cc1cccc(OCC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c1C 12603560 HLAGDCVLTRMRED-HXUWFJFHSA-N 383.879 3.975 0 40 GHAB CN(Cc1cccc(F)c1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12604989 DTSMXTHJTHAIOJ-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3Cl)ccc21 12760238 AVYKEAGPZGJPKI-ZDUSSCGKSA-N 392.908 3.679 0 40 GHAB O=C(Cn1cnc2cc(-c3ccccc3)sc2c1=O)NCc1ccc(F)cc1 12908917 BQIYNNVBCZUMTJ-UHFFFAOYSA-N 393.443 3.581 0 40 GHAB O=C(COc1ccc(Cl)cc1C(=O)O)Nc1ccc(Br)cc1 13083409 TXMVAOJEMKFJPF-UHFFFAOYSA-N 384.613 3.818 0 40 GHAB O=C(CSc1ncnc2nc[nH]c12)Nc1ccc(Oc2ccccc2)cc1 13551291 HNDDXYPUYMBABW-UHFFFAOYSA-N 377.429 3.876 0 40 GHAB COc1ccc(Cc2nc3c4c(C)c(C)n(-c5nccs5)c4ncn3n2)cc1 13623907 YFDQUXZKHWAVLT-UHFFFAOYSA-N 390.472 3.741 0 40 GHAB O=c1n(Cc2ccccc2)c2sc3c(c2c2nc(-c4ccco4)nn12)CCC3 13693448 NXZSYAWCFICTSM-UHFFFAOYSA-N 388.452 3.903 0 40 GHAB CCc1nnc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)s1 16162598 LCZNZYDKDAKYOC-UHFFFAOYSA-N 382.514 3.746 0 40 GHAB c1ccc(-c2nnc([C@H](c3ccccc3)N3CCC4(CC3)OCCO4)o2)cc1 16493550 ZVHBEFMMGQNEBW-IBGZPJMESA-N 377.444 3.665 0 40 GHAB CCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 16960503 CAFSQXORVAUPIS-UHFFFAOYSA-N 386.517 3.605 0 40 GHAB COc1ccc2c(cc(C(=O)N3CCCC[C@H]3CCN3CCCC3)n2C)c1OC 19289698 HNUWUIJOIREAMV-KRWDZBQOSA-N 399.535 3.676 0 40 GHAB CCOc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 19532628 YZEBCOOYVHBJHJ-NVXWUHKLSA-N 384.451 3.797 0 40 GHAB Cn1nccc1CN1CCO[C@@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692377 UPSSXOJVKGBGRD-OAQYLSRUSA-N 382.895 3.633 0 40 GHAB O=C(COc1ccccc1)N1CC[C@H](c2cc(COc3ccc(F)cc3)[nH]n2)C1 19704570 FCJFKTCLGNROJO-INIZCTEOSA-N 395.434 3.523 0 40 GHAB COc1cc(C)ccc1OCCNC(=O)c1n[nH]c2c1C[C@H](C(C)(C)C)CC2 19716084 NDVZWAWKVZQCLX-OAHLLOKOSA-N 385.508 3.687 0 40 GHAB COCc1nn2c(C)c(C(=O)Nc3ccccc3)nnc2c1-c1ccc(F)cc1 21006114 FYDPWVKUNLDIFY-UHFFFAOYSA-N 391.406 3.638 0 40 GHAB C[C@@H](OC(=O)CCNC(=O)c1cccs1)C(=O)C12CC3CC(CC(C3)C1)C2 21538234 JOTLQSBCRMIGDV-BUBBNXEVSA-N 389.517 3.585 0 40 GHAB O=C(Cn1ccccc1=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 24753921 LKELRZLPMFPROW-UHFFFAOYSA-N 394.283 3.841 0 40 GHAB Cc1nc(-c2ccc(OS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)no1 25875017 PYNQBEUIQOHBOK-UHFFFAOYSA-N 384.335 3.832 0 40 GHAB COc1ccc(OCC(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1 27994161 OJNYSMNDIBXMCI-UHFFFAOYSA-N 398.484 3.565 0 40 GHAB Cc1noc(C)c1COc1ccc(CC(=O)Nn2cnc3ccccc32)cc1 28819111 AYGSBPRIXXRPRW-UHFFFAOYSA-N 376.416 3.533 0 40 GHAB O=C1CCC(=O)N1CCSc1nc2cc(Cl)ccc2n1Cc1ccccc1 31438167 GQYMDGXUMSOXSK-UHFFFAOYSA-N 399.903 3.979 0 40 GHAB Cc1cc(OCC(=O)N2N=C(CC(C)C)C[C@]2(O)C(F)(F)F)ccc1Cl 32100749 OLSMNYLGFFHSNO-INIZCTEOSA-N 392.805 3.913 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(Oc3ccccc3)c2)c1 32362107 FLMFRPOLOJRSFC-UHFFFAOYSA-N 396.468 3.780 0 40 GHAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(NC(N)=O)cc3)cc2)cs1 32810846 QEBBRWVWMILAFV-UHFFFAOYSA-N 380.473 3.582 0 40 GHAB CCN1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C)CC1 32837456 HFXZOVSHYKOIMV-UHFFFAOYSA-N 393.940 3.591 0 40 GHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 32866023 LNPPIIFSOILBPS-CQSZACIVSA-N 381.432 3.839 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1cccc(C(F)(F)F)c1 32994782 LUAOCDRKSHRKBX-UHFFFAOYSA-N 393.361 3.756 0 40 GHAB CCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1 39986881 GOAZETICEKMHJN-UHFFFAOYSA-N 386.448 3.628 0 40 GHAB Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccccc3F)CCCC2)cc1C 40020256 YEVABNVTOVGYPJ-UHFFFAOYSA-N 389.492 3.845 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@H](C)SCc3ccccc3)C2)nc1 40145933 CQOUDXLJZFIUHF-HKUYNNGSSA-N 397.544 3.889 0 40 GHAB COc1ccc(OC)c(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)c1 41077026 DYEOYOYGBXHIGX-UHFFFAOYSA-N 395.459 3.988 0 40 GHAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(CSc2ncn[nH]2)cc1 42851946 BKCWXJRPCYPUJI-KBPBESRZSA-N 384.427 3.948 0 40 GHAB Cc1nc(-c2cc(C(=O)OCc3cc(F)cc4c3OCOC4)n(C)c2)cs1 57901672 KACQSBYZEZKDPG-UHFFFAOYSA-N 388.420 3.820 0 40 GHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(N2CCOC2=O)cc1 58407006 OJGUIIUOKORWEL-UHFFFAOYSA-N 390.399 3.786 0 40 GHAB O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1cn2ccccc2n1 63498493 NQCHGSFCHYQIPL-UHFFFAOYSA-N 391.818 3.887 0 40 GHAB O=C(COC(=O)c1ccc(F)c(Cl)c1)NCc1ccc(C(F)(F)F)cc1 67198019 HLTWGQDMMKSAOM-UHFFFAOYSA-N 389.732 3.971 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 67590529 NADNANYQNPKCKQ-KKSFZXQISA-N 378.476 3.516 0 40 GHAB Cc1noc(CN2CCC3(CC2)C[C@@H]3c2nc(-c3cccc(Cl)c3)no2)n1 69668213 ZNGMKMVZSKCYMV-OAHLLOKOSA-N 385.855 3.851 0 40 GHAB Cc1nnsc1-c1nn2c(Cc3ccccc3OC(F)(F)F)nnc2s1 71284176 JXONMKWJNWLKOW-UHFFFAOYSA-N 398.395 3.502 0 40 GHAB O=C(N1CCC(O)(c2ccc(Cl)cc2)CC1)C1(c2ccccc2)CCOCC1 71284343 FBNJZSOWXSHNCV-UHFFFAOYSA-N 399.918 3.898 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2cccc(CC)c2)cc1OCC 72330922 YTBNSOMMROJFGN-UHFFFAOYSA-N 385.460 3.771 0 40 GHAB CCc1n[nH]c(C(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)c1C 72362811 QPPZTDNYLKKOQC-UHFFFAOYSA-N 391.475 3.883 0 40 GHAB COc1cc(NC(=O)c2cn(C(C)C)c(=O)c3ccccc23)cc(OC)c1OC 72400938 FAWRIQJIIJZWAC-UHFFFAOYSA-N 396.443 3.861 0 40 GHAB O=C(CSc1nc2ccccc2s1)Nc1ccc(N2CCOC2=O)cc1 78648474 KDRXQMUIZVLBAZ-UHFFFAOYSA-N 385.470 3.984 0 40 GHAB Cn1c([C@@H](O)[C@H](O)c2nc3cc(Cl)ccc3n2C)nc2cc(Cl)ccc21 82086825 NKIIKDLWWOWLJX-HOTGVXAUSA-N 391.258 3.534 0 40 GHAB C[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)c1nc2ccccc2s1 89901378 AEDWHMVFFAVYPF-VIFPVBQESA-N 378.383 3.968 0 40 GHAB COc1cccc(-c2cccc(-c3nc(C4CCOCC4)nn3CCO)c2)c1 96163829 SGWAXUAXWIUOJE-UHFFFAOYSA-N 379.460 3.507 0 40 GHAB Cc1ccc([C@@H](CNC(=O)Nc2cccc(C(F)(F)F)c2)OCCO)cc1 96338432 JODBKMMQEDFQNY-QGZVFWFLSA-N 382.382 3.886 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)N[C@@H]1CCCc2ccccc21 96523193 RYFGJPHBIXHXGF-PCJMVEANSA-N 398.509 3.978 0 40 GHAB C[C@H](NC(=O)[C@]1(C)CC1(Br)Br)[C@@H]1C[C@@H]2CC[C@@H]1C2 101986678 NAIUYHATLLRLEU-YHMTXAQFSA-N 379.136 3.823 0 40 GHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 175956605 YQPSFKOBDRGUTN-SUMWQHHRSA-N 395.908 3.778 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 222584973 JSGMXYMEZKHVFU-KRWDZBQOSA-N 386.517 3.724 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 223594414 QHZKIHIQEARJMH-SFHVURJKSA-N 384.545 3.782 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 223727340 ZTYQTZPAJNIYSY-OAHLLOKOSA-N 390.936 3.986 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223870915 QNGGAXBRFAFGPG-APWZRJJASA-N 389.517 3.742 0 40 GHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223874667 DVDXDJNVWUGLIM-ACJLOTCBSA-N 395.908 3.778 0 40 GHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 224313855 OEHVSNOTSGQEKP-MRXNPFEDSA-N 388.458 3.697 0 40 GHAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)c1 224392518 VRVJGFBSORCWBY-LLVKDONJSA-N 387.860 3.677 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc(OC)cc1 225378714 TUQQRRMHBSAEHQ-KRWDZBQOSA-N 397.880 3.565 0 40 GHAB COc1ccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](C)C(=O)NC(C)C)cc1 225678568 BRJPJQUGINJTFT-LJQANCHMSA-N 396.531 3.796 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)c1 225721601 BWBNAOQYQGHQJZ-LJQANCHMSA-N 391.489 3.548 0 40 GHAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1C 225791780 JLBJRXHWLHTDTR-MRXNPFEDSA-N 385.533 3.759 0 40 GHAB CC(C)Sc1ccc(CC(=O)NCc2nc(-c3cc(C4CC4)on3)no2)cc1 238819417 CGQSZQOIZLUFDN-UHFFFAOYSA-N 398.488 3.961 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CCOCC3)CC2)n1 257258840 KVSZNLWPEBWZSD-UAPYVXQJSA-N 394.519 3.664 0 40 GHAB O=C(NS(=O)(=O)c1ccccc1C(F)(F)F)c1cccc(-n2cccc2)c1 257295571 QYXVUWYVRLVXKN-UHFFFAOYSA-N 394.374 3.615 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)c2)cc1 260572728 SBQMISHGIQTRQK-FTRWYGJKSA-N 384.501 3.714 0 40 GHAB Cc1csc(=O)n1CCc1nc(C2(c3ccc(F)cc3F)CCCC2)no1 582327634 PENAVVXWJVEDEU-UHFFFAOYSA-N 391.443 3.982 0 40 GHAB O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@@H]1OCC[C@@H]1Cn1ccnc1 621408539 DIXHXWZEQALXMH-HMXCVIKNSA-N 395.890 3.847 0 40 GHAB Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cscc3C(F)(F)F)n2)c1 621978010 IQBPFAOEUWFTDQ-VIFPVBQESA-N 381.383 3.746 0 40 GHAB CC(C)(C)OC(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 758391880 KKPWPEVNMDEWHQ-UHFFFAOYSA-N 387.455 3.697 0 40 GHAB O=C(NCCc1ccccc1)c1ccc(NC(=O)c2ncc3ccccn23)cc1 1125454874 UEDRIJIYNQFEMJ-UHFFFAOYSA-N 384.439 3.559 0 40 GHAB CC1(C)C[C@]2(CCCN2C(=O)CCc2cc(O)no2)CN1c1cccc(F)c1 1615152570 ARRGZXFYZIVTEK-OAQYLSRUSA-N 387.455 3.502 0 40 GHAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3ccc(Cl)s3)CC2)n1 1775995426 VKOSZOVAQPCUKZ-UHFFFAOYSA-N 379.913 3.733 0 40 GHAB O=C(O)[C@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)Cc1ccc(Cl)cc1 729554 PZWGTZHCYVYLRW-WBVHZDCISA-N 379.840 3.749 0 40 GHAB CSCC[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)c1ccccc1 1643406 IXZKCDHFNWATHQ-QGZVFWFLSA-N 379.418 3.588 0 40 GHAB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccc(F)c1 807639 TVAWYLJKXMIGDV-UHFFFAOYSA-N 393.418 3.633 0 40 GHAB CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C4CCOCC4)C2)C3)cc1 4258748 BKFRDVFXBHAFNC-FUHWJXTLSA-N 396.556 3.835 0 40 GHAB biogenic,in-vitro CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 804985 UPCWOLYTWKGABX-UHFFFAOYSA-N 385.895 3.897 0 40 GHAB CCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1-n1cccc1 4518511 KTUQTJZBURPHFF-UHFFFAOYSA-N 396.303 3.991 0 40 GHAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7394648 MWTSTBOUXKDSIU-HSZRJFAPSA-N 387.439 3.798 0 40 GHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c1 8413138 WBSFMHOUKTVCCN-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C 8497797 RAQAQQLLCVUNFI-HKUYNNGSSA-N 396.487 3.618 0 40 GHAB COc1ccc(-n2c(=O)c3c(n4cnnc24)-c2ccccc2CC32CCCC2)cc1 1306746 XITTUKGHCYATRF-UHFFFAOYSA-N 398.466 3.924 0 40 GHAB CC(=O)Nc1cccc(-n2c(C)nnc2S[C@@H](C)C(=O)Nc2ccccc2)c1 12539936 IKOMGRRLRQIMCW-ZDUSSCGKSA-N 395.488 3.653 0 40 GHAB Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1F 12548589 ZEPCSJAQCGEKCC-UHFFFAOYSA-N 398.872 3.560 0 40 GHAB Nc1ncnc2sc3c(c12)CCN(C(=O)CCCc1c[nH]c2ccccc12)C3 12544092 QHWXDWNLXSBRMA-UHFFFAOYSA-N 391.500 3.662 0 40 GHAB O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc(Br)cc1F 43840040 HWTQLHOLNPEPPQ-UHFFFAOYSA-N 379.185 3.797 0 40 GHAB CN(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1-c1ccccc1 107911281 DSUQFNUJWPVJFO-UHFFFAOYSA-N 380.513 3.676 0 40 GHAB COCCn1c(S[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)nc(C)c1C 58197362 JNCVQQCGCAIXKG-AWEZNQCLSA-N 378.494 3.527 0 40 GHAB Cc1cccc(-n2c(C)nnc2SCc2noc(-c3ccccc3O)n2)c1 58224743 YZTQXPWKBXEQTB-UHFFFAOYSA-N 379.445 3.932 0 40 GHAB Cc1cc(C)n(Cc2cccc(NC(=O)c3cc(C(F)(F)F)nn3C)c2)n1 28239295 HCPISRRFFDKDEE-UHFFFAOYSA-N 377.370 3.553 0 40 GHAB C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)N1CCc2ccccc2C1 12735020 ZCDUCMNTHAOASB-OAHLLOKOSA-N 384.549 3.993 0 40 GHAB CCCCN(CCCC)CCCN1CCN(CC(=O)Nc2ccccc2)CC1 58305097 NBALDANNFDAURI-UHFFFAOYSA-N 388.600 3.535 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2F)c(-c2cccc(F)c2)n1 57508190 FCQRNVWMDOFKIB-UHFFFAOYSA-N 387.361 3.529 0 40 GHAB CC(=O)Nc1ccc2c(CSc3ccc4c(c3)OCCO4)cc(=O)oc2c1 3354644 PPLHZSLAQMZGEX-UHFFFAOYSA-N 383.425 3.815 0 40 GHAB CCNc1nc(SCc2cc(=O)n3c(C)cccc3n2)nc2ccccc12 29900697 ZGTJDBULQQFISR-UHFFFAOYSA-N 377.473 3.670 0 40 GHAB COc1cc(C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2C)cc(OC)c1OC 4043507 FLKOVZBGZSPDTQ-UHFFFAOYSA-N 398.411 3.963 0 40 GHAB biogenic CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NCCCOC 20481896 BACCIDLAXDCDQW-FQEVSTJZSA-N 384.476 3.557 0 40 GHAB C[C@H](NC(=O)c1cc(I)ccc1Br)C1CC1 97236111 HBBFJPXSSMSXCY-ZETCQYMHSA-N 394.050 3.582 0 40 GHAB CC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)NCC2CCCCC2)cc1 5217755 LMPSTHUYESNEIS-OAHLLOKOSA-N 387.553 3.963 0 40 GHAB Cc1[nH]c(SCC(=O)NC(=O)NC2CCCCC2)nc1Cc1ccccc1 5312442 IXGFCSYCWJYQEI-UHFFFAOYSA-N 386.521 3.560 0 40 GHAB Cc1csc(N(C(=O)CSc2nnc3ccccn23)c2ccccc2)n1 14235034 DNMPBYOGKNRXSL-UHFFFAOYSA-N 381.486 3.951 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1c(F)cccc1Cl 5504847 GZEVYKRRSDWDBD-QGZVFWFLSA-N 389.814 3.754 0 40 GHAB CC(C)(C)c1cc(-c2nnc(S)n2-c2ccc(Cl)c(C(=O)O)c2)[nH]n1 6659248 YTFSGYBTALVIMH-UHFFFAOYSA-N 377.857 3.595 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 409002760 PULPBXLKBOSUMI-YOEHRIQHSA-N 396.443 3.895 0 40 GHAB O=C(CSc1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 27931224 GHHIJNFKYCUMBB-UHFFFAOYSA-N 378.900 3.916 0 40 GHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3cn4c(C)cccc4n3)o2)cc1 7241084 GGTCLEBIWJCCTQ-CYBMUJFWSA-N 378.388 3.619 0 40 GHAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 409232090 NAGLXGUQRCBDMZ-LDADJPATSA-N 380.444 3.885 0 40 GHAB Cc1ccc(OCc2nc(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)s2)cc1 17642880 UPLWOMZLIHPSBW-UHFFFAOYSA-N 397.500 3.574 0 40 GHAB C[C@H](CN1CCN(C[C@@H](C)C(=O)c2ccccc2)CC1)C(=O)c1ccccc1 22581560 GIGZBFNCAMWHDI-WOJBJXKFSA-N 378.516 3.642 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)c2ccccc2)C(=O)OCC(C)C)cc1 18200741 CQYLSDPFUYNDAA-UHFFFAOYSA-N 389.473 3.661 0 40 GHAB C[C@@H](Sc1ncccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 8705709 BYMAJYJBUUWELH-CYBMUJFWSA-N 377.897 3.691 0 40 GHAB CCc1cnccc1CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 95995027 KNNAEIVKPRPSEF-UHFFFAOYSA-N 378.803 3.795 0 40 GHAB Cc1c(-c2ccccn2)c(C(=O)N2CCCCC2)c2n1CCN(CC1CC1)C2 306124469 BQQDRBPUAZZQCG-UHFFFAOYSA-N 378.520 3.710 0 40 GHAB O=S1(=O)N(CC2CC2)c2ccccc2C12CCN(Cc1cccs1)CC2 306138107 RPLLTADCPABSQG-UHFFFAOYSA-N 388.558 3.799 0 40 GHAB O=C(NCc1cccnc1)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1 22572707 WQCPRQHRDCTBQC-UHFFFAOYSA-N 377.835 3.641 0 40 GHAB CCOc1cc(Cl)c(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409222060 BTHDQOJOFIHKFU-CXUHLZMHSA-N 386.835 3.840 0 40 GHAB O=C1N/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)N1Cc1ccccc1F 409074432 LQRIEBRGMJLPDB-MKMNVTDBSA-N 381.190 3.931 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)N1CCC(c2noc3cc(F)ccc23)CC1 515565343 OGEAYIUEGCFOSO-UHFFFAOYSA-N 397.406 3.785 0 40 GHAB C[C@H](C(=O)Nc1ccccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O 408559182 USHNKDVFJGMJAS-LLVKDONJSA-N 387.288 3.787 0 40 GHAB CCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 39986793 ZLQQOYPFVVVBII-UHFFFAOYSA-N 387.288 3.643 0 40 GHAB O=C(CNC(=O)c1ccccc1C(F)(F)F)N[C@H]1CCCc2ccc(F)cc21 530303559 FPENADUOMHLZDY-KRWDZBQOSA-N 394.368 3.768 0 40 GHAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 217475055 VBJMKXFCZZRDDS-AWEZNQCLSA-N 376.478 3.636 0 40 GHAB CCCc1nnc(SCC(=O)Nc2cccc3ccccc23)n1CCOC 35312415 XWPKNFQILJMCEA-UHFFFAOYSA-N 384.505 3.761 0 40 GHAB Cc1c(C(=O)COc2coc(CN3CCCCC3)cc2=O)c2ccccc2n1C 79485683 CVSCFTIOQDNUMO-UHFFFAOYSA-N 394.471 3.688 0 40 GHAB CN(C)C(=O)c1cc([C@H]2CN(CCc3ccccc3)CCO2)nc2ccccc12 72352699 CHOFYMLBEDBMLX-HSZRJFAPSA-N 389.499 3.553 0 40 GHAB CCS(=O)(=O)Nc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 32451170 XEZIOILTYXOKHJ-UHFFFAOYSA-N 394.496 3.968 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccc(F)cc1 222956972 VPYACYBEMXZOOS-LJQANCHMSA-N 388.508 3.612 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 223545623 FTHSMBIXVQBOBT-SFHVURJKSA-N 382.504 3.742 0 40 GHAB Cc1ccc(CN(C(=O)COc2cccc(C)c2C)[C@H](C)C(=O)NC(C)C)cc1 225534001 BSUIJAXIFUTETD-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)nc1 222818227 QVCSGLHWWCGIAZ-VQTJNVASSA-N 377.517 3.957 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NCc1cccc(CN2CCCCC2)c1 224704774 RLMOPLUPWFAHHQ-UHFFFAOYSA-N 376.497 3.599 0 40 GHAB CCCCCC(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 514289562 UZPFQMWLVQRBMJ-GJZGRUSLSA-N 389.471 3.764 0 40 GHAB biogenic,in-vitro CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)Oc2ccccc21 96053329 QCFJVGVWCVNLID-HXUWFJFHSA-N 393.531 3.897 0 40 GHAB O=C(c1csc2ccccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20038394 KLJQKAYZTOJXRW-UHFFFAOYSA-N 380.469 3.588 0 40 GHAB Cc1c(F)cccc1NC(=O)CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257206190 BCGGVYNWVSJAEX-GMAHTHKFSA-N 398.478 3.523 0 40 GHAB C[C@H](O)CC(C)(C)NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257271330 MXWGUGOEKSPRGN-SFHVURJKSA-N 396.531 3.754 0 40 GHAB O=C1CCC[C@]2(CN(Cc3c[nH]c4ccccc34)C[C@H]2c2ccccc2F)N1 257317590 VKKLCAIABVQHQK-WMZHIEFXSA-N 377.463 3.945 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 260408855 PNVBGAISCCUAIL-MSOLQXFVSA-N 388.533 3.644 0 40 GHAB O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cccc(C(=O)N=c2cc[nH]cc2)c1 667814295 MTCNVDWJTPHHSI-YLJYHZDGSA-N 385.414 3.910 0 40 GHAB C[C@@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc(F)cc1F 608239847 VBMHBACNAHUPEQ-NSHDSACASA-N 380.826 3.542 0 40 GHAB Cc1noc(C)c1CC(=O)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 96103619 OFROYAPTHNWPLF-UHFFFAOYSA-N 395.484 3.733 0 40 GHAB O=C(NCC1CCN(C2CCOCC2)CC1)N1CCC2(CCCCC2)CC1 661439424 KXGDXPYESXFUCH-UHFFFAOYSA-N 377.573 3.633 0 40 GHAB CCCc1ccc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)o1 1615131188 SDKKKYNHAZFHNM-JOCHJYFZSA-N 386.467 3.769 0 40 GHAB CCc1cccc2c(C(=O)CSc3nnnn3-c3ccccc3C)c[nH]c12 5352590 QSSZUHIHUDYHFD-UHFFFAOYSA-N 377.473 3.989 0 40 GHAB Cc1cc(-c2snnc2C2CCN(C(=O)Cc3ccc(F)cc3)CC2)on1 12224073 QIVDFDISCFYCKP-UHFFFAOYSA-N 386.452 3.589 0 40 GHAB COc1ccc(C(=O)NC2CCN(C(=S)Nc3ccc(C)cc3)CC2)cc1 13544440 UHDMUOOMPJMPCV-UHFFFAOYSA-N 383.517 3.595 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCCC2)cc1 14429807 JCTMBUSNQCURQX-UHFFFAOYSA-N 398.406 3.742 0 40 GHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCCC2=O)cc1 16301744 AQPVFLJCMYZVMI-UHFFFAOYSA-N 376.378 3.758 0 40 GHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccc(C)cc3)cc2)CCCN(C(=O)C2CC2)C1 19212334 KGRBRXPBVRAKNA-RUZDIDTESA-N 390.527 3.969 0 40 GHAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)CCn2ccnc2C)cc1OC 19288069 MITHARGOEQXFAR-WKZKVMAPSA-N 397.519 3.687 0 40 GHAB O=C(c1ccccc1)[C@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCCCC1 19365930 XQNGBFJNJXVYJR-PKTZIBPZSA-N 378.516 3.797 0 40 GHAB CCOc1cc(CN2Cc3ccccc3OC3(CCN(C)CC3)C2)ccc1OC 19532135 OSDWCRNUAOCGGM-UHFFFAOYSA-N 396.531 3.953 0 40 GHAB COc1cccc(CN2CCCC[C@H]2c2cc(O)nc(-c3cccnc3)n2)c1 19565231 AYRHASJNQBFAIH-FQEVSTJZSA-N 376.460 3.980 0 40 GHAB COc1ccc(NC(=S)NC(=O)c2ccccc2)cc1-c1ccc(C(=O)O)o1 226355661 UJNXZAQAKRWMRB-UHFFFAOYSA-N 396.424 3.780 0 40 GHAB COc1ccc(COCC(=O)N[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)cn1 629144830 WSMUFZWYOAZPGR-SFHVURJKSA-N 399.878 3.935 0 40 GHAB CON(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 10133542 CRGHEQZOAHKRAE-UHFFFAOYSA-N 390.418 3.919 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COc2ncnc3sc(C)c(C)c23)c1C 6551304 XADZOOWFOAEXAB-UHFFFAOYSA-N 387.461 3.691 0 40 GHAB COc1ccc2c(=O)n(CC3CCN(Cc4cccc(C)c4)CC3)cnc2c1 1889253734 CWTDMSIRLGONLE-UHFFFAOYSA-N 377.488 3.626 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)s1 5099580 OOKNEUXDMXSUHK-UHFFFAOYSA-N 376.503 3.547 0 40 GHAB O=S(=O)(NCCc1csc(-c2ccc(F)cc2)n1)c1cccc(F)c1 5137641 AJKSQSMWLDDWEQ-UHFFFAOYSA-N 380.441 3.609 0 40 GHAB COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 16844849 FWJBPCGLWFWRFY-UHFFFAOYSA-N 394.818 3.671 0 40 GHAB COc1ccc(OCCN2CCN(C(=O)Nc3ccc(C)cc3C)CC2)cc1 40095416 KMOUVABTLJSDDA-UHFFFAOYSA-N 383.492 3.541 0 40 GHAB COc1c(C)cnc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1C 50448135 UYFIOEYKMFXECB-UHFFFAOYSA-N 398.438 3.535 0 40 GHAB CC1=C(C)C[C@H]2C(=O)N(c3ccccc3I)C(=O)[C@H]2C1 100596330 DAFDFPAFAHZQOZ-TXEJJXNPSA-N 381.213 3.527 0 40 GHAB Cc1csc(N(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c2ccccc2)n1 101099333 IVENGAHBUVOSKA-IRXDYDNUSA-N 397.500 3.682 0 40 GHAB O[C@@H](c1ccc(Br)cc1)[C@H](CN1CCOCC1)c1ccccc1 20792220 RLTKQSKRESYILF-MOPGFXCFSA-N 376.294 3.599 0 40 GHAB COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(F)c2)c1 20744803 BHHBKICFJCFCLO-LJQANCHMSA-N 394.406 3.515 0 40 GHAB COc1ccc(-c2nc(CC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)cs2)cc1OC 101628621 GJCIGNXQKSICTH-DZKIICNBSA-N 384.501 3.698 0 40 GHAB C[C@H](Sc1nnc(-c2cccs2)n1CCC(N)=O)c1ccc(F)cc1 32905079 YODJZNCOTOVVSE-NSHDSACASA-N 376.482 3.874 0 40 GHAB COc1ccc(-c2nnc(SCc3noc(-c4ccsc4)n3)n2C)cc1 32908188 VPRILOGFCLMPNV-UHFFFAOYSA-N 385.474 3.895 0 40 GHAB COc1ccc(OC)c(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)c1 986508 RBQBCIFNKACZRB-UHFFFAOYSA-N 391.924 3.876 0 40 GHAB CCOc1ccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 1016497 ZZVRSRIAMYJCBB-UHFFFAOYSA-N 376.445 3.650 0 40 GHAB CN1Cc2ccccc2N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O 1422664 GOOMALUFITYEBL-UHFFFAOYSA-N 385.467 3.964 0 40 GHAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc(Br)cc1)C(=O)C2 1465715 FLEWWQHYBILAML-BDJLRTHQSA-N 386.311 3.586 0 40 GHAB CCOC(=O)c1sc2ncn(CCCOc3ccc(C)cc3)c(=O)c2c1C 1791516 LICCSVAWXYEOJB-UHFFFAOYSA-N 386.473 3.721 0 40 GHAB COc1cc(C(=O)OCC(=O)Nc2cccc3ccccc23)cc(OC)c1OC 1962018 ATXNGCBXIXEVRR-UHFFFAOYSA-N 395.411 3.661 0 40 GHAB CCOC(=O)N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 2066745 VYUVYXMGZGPIMB-VIFPVBQESA-N 395.091 3.556 0 40 GHAB COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1 2249918 BYKCCWSZJKBEPC-SUMWQHHRSA-N 388.489 3.543 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2)N1C[C@H]1CCCO1 2402747 YCPBUPMWTWFIAD-DNVCBOLYSA-N 379.387 3.656 0 40 GHAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 2434660 UTTVIPSKPVGNDI-HXUWFJFHSA-N 376.456 3.598 0 40 GHAB COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CC[C@H](C(C)(C)C)C2 2486542 DHAOJRGMBAQRMU-NSHDSACASA-N 381.494 3.879 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1Cl 3292676 WEIAUXIGUOURDD-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1ncccn1 3408804 AHTLLAGHLSDXGB-UHFFFAOYSA-N 389.458 3.706 0 40 GHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCCCc1ccccc1 3491264 FSPWIEDGIPBAFA-UHFFFAOYSA-N 388.467 3.958 0 40 GHAB CCCC[C@H](CC)CN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4029685 MNOBUIXIELKHGV-HJPURHCSSA-N 381.520 3.826 0 40 GHAB biogenic Cc1c(C)c2ccc(OC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2oc1=O 4045243 ANWFBYNWUFNWQN-INIZCTEOSA-N 387.432 3.715 0 40 GHAB biogenic O=C(NCc1nc2ccccc2[nH]1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 4625276 QSLUNDXJILBRJO-UHFFFAOYSA-N 387.321 3.562 0 40 GHAB CC(C)(C)c1ccc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)cc1 4945370 PNKXQZDDDJCMGU-UHFFFAOYSA-N 389.502 3.719 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(C(F)(F)F)cc1 5636407 QMLBTNGZEKKKJE-UHFFFAOYSA-N 398.406 3.742 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1 6517655 OFFYNTGNMYFELC-UHFFFAOYSA-N 388.309 3.843 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1c1nccs1 6732529 LJXRRMLEKDZTOL-MRXNPFEDSA-N 376.393 3.705 0 40 GHAB CCN(CC(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1 6779373 PKMLFKKCZXGTKC-UHFFFAOYSA-N 382.485 3.798 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(F)cc1)S2 6811851 IPGCLRNORRLPGZ-ROUUACIJSA-N 397.479 3.686 0 40 GHAB CCOc1ccccc1N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 6910685 CYLBQOISPAOZKW-UHFFFAOYSA-N 377.488 3.848 0 40 GHAB Cc1nnc(S/C(=C\c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)C(=O)O)o1 7365702 YYJWNOUHHZZBPO-SXGWCWSVSA-N 399.428 3.702 0 40 GHAB Cc1ccsc1CN(C)C(=O)CSc1nnc(-c2ccncc2)n1C1CC1 7533525 DVEUPCKLFYTZDM-UHFFFAOYSA-N 399.545 3.796 0 40 GHAB CCOc1ccccc1-n1c(SCc2nnc(C)o2)nnc1-c1cccnc1 7736977 LLYJWMIULGVCDO-UHFFFAOYSA-N 394.460 3.712 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc(N2CCCC2=O)cc1 7858314 WDIDLASNUHCDMO-UHFFFAOYSA-N 382.489 3.592 0 40 GHAB CC(=O)N1CCC(C(=O)NCC23CC4CC(CC(C4)C2)C3)(c2ccccc2)CC1 8011112 JSZZBBNIONEAIX-UHFFFAOYSA-N 394.559 3.899 0 40 GHAB COc1cccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)c1 8167693 LIACRXNKCZTSKV-UHFFFAOYSA-N 379.368 3.563 0 40 GHAB C[C@H]1CCc2c(sc3ncnc(Sc4nnc(CN5CCCC5)o4)c23)C1 8201050 NFWBGJXYJUKMDZ-NSHDSACASA-N 387.534 3.946 0 40 GHAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1)N(CCN(C)C)C3=O 8549537 GQRPZOWIGJNYFB-HXUWFJFHSA-N 376.456 3.517 0 40 GHAB COc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccccc2)CC3=O)cc1 8608672 PWVASNYPPPAELI-OAHLLOKOSA-N 388.423 3.549 0 40 GHAB CSCC[C@@H](NC(=O)c1cncn1-c1ccccc1)c1nc2ccccc2[nH]1 9883507 YIBKDACWVOQZTR-GOSISDBHSA-N 391.500 3.973 0 40 GHAB O=C(NCc1ccccc1OC(F)F)c1ccc(Cl)cc1N1CCCC1=O 10114904 VFNQMXLNEOFLLL-UHFFFAOYSA-N 394.805 3.998 0 40 GHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(F)cc1 10660676 BOJQASUYUCHVSY-UHFFFAOYSA-N 376.435 3.887 0 40 GHAB Cc1cccc(-n2ccnc2SCC(=O)NCCCN(C)c2ccccc2)c1 10888562 BFUQUMRJKYHSRB-UHFFFAOYSA-N 394.544 3.916 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4S3)n2)o1 10921787 NUEMGMQCRVMXDL-KRWDZBQOSA-N 399.497 3.695 0 40 GHAB Cc1cc(Cl)cc(C)c1OCC(=O)N[C@@H](c1ccccc1)c1nccn1C 12580168 KBBPKBZZXCNOMN-IBGZPJMESA-N 383.879 3.975 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(F)c2)nc2ccccc2c1=O 12776230 XKQTWLZNOZWICQ-CYBMUJFWSA-N 385.464 3.983 0 40 GHAB Cc1cc(NC(=O)CCNC(=O)c2ccc(F)cc2F)ccc1Br 12795387 YKJZPKCSHLKLHZ-UHFFFAOYSA-N 397.219 3.794 0 40 GHAB Cc1cccc(C)c1OC[C@H](O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 12886815 GOKRRLGOIWKQBF-CQSZACIVSA-N 393.270 3.760 0 40 GHAB COc1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1OC 12888234 FOCYQUFDBSEPJG-UHFFFAOYSA-N 395.484 3.975 0 40 GHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCSc2ccccc21 12889571 GSTZJOHQFYBQBO-QGZVFWFLSA-N 379.485 3.599 0 40 GHAB O=C1CCCN1c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 12917708 ZGUWNWDJRSSHDV-UHFFFAOYSA-N 399.299 3.599 0 40 GHAB O=C(O)Cc1csc(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)n1 12979951 NWNOUEAPHZKFSQ-GOSISDBHSA-N 398.509 3.920 0 40 GHAB O=C(COc1cccc(Cl)c1)Nc1nc2ccccc2nc1N1CCCC1 13001979 QBWLEDBJMYRXLD-UHFFFAOYSA-N 382.851 3.901 0 40 GHAB O=C(CCc1ccccc1)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1 13009587 ZHFCBFVNDVLPPK-UHFFFAOYSA-N 384.443 3.977 0 40 GHAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCO[C@@H](c2ccccc2)C1 13012841 DGFICOWSGRJUEQ-OAQYLSRUSA-N 391.446 3.714 0 40 GHAB CCc1nnc2sc(-c3ccc(CNC(=O)c4ccc(C)c(C)c4)cc3)nn12 13954856 LDLLTYABOPMOMJ-UHFFFAOYSA-N 391.500 3.962 0 40 GHAB O=C(CSCc1ccc(Cl)cc1)NC(=O)Nc1ccc2c(c1)OCCO2 15155145 SDAPFTQILSVRRR-UHFFFAOYSA-N 392.864 3.693 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5)no4)ccn3n2)cc1 16841956 MWMGIWZCPPPADF-UHFFFAOYSA-N 383.411 3.570 0 40 GHAB O=C(Cc1ccccc1)Nc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1Cl 18195048 CNVKMNYNGUBJLS-IRXDYDNUSA-N 394.858 3.977 0 40 GHAB Cc1cc(-c2cnc(C3CCN(C(=O)c4cccnc4)CC3)nc2C(C)C)on1 19121660 KOYANINBCCGEOD-UHFFFAOYSA-N 391.475 3.978 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2c(C)noc2C)n1 19580055 WZORDOATDYVBCG-SFHVURJKSA-N 377.448 3.819 0 40 GHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCN(CC2=CCCOC2)C1 19591648 NBTTXKMKOLPFQE-RUZDIDTESA-N 390.527 3.681 0 40 GHAB CN(C)c1ncccc1CN1CCO[C@@H](c2ccc(-c3ccccc3F)cn2)C1 19693512 JLFYBYCKCIJJIZ-JOCHJYFZSA-N 392.478 3.922 0 40 GHAB Cn1cc(-c2csc(NC(=O)c3ccncc3)n2)c(-c2ccc(F)cc2)n1 19697095 PJQCXCACJLVJQP-UHFFFAOYSA-N 379.420 3.997 0 40 GHAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(N3CCOCC3)cc2)cc1 19717129 BVEOBAROJTXDFP-JOCHJYFZSA-N 380.488 3.899 0 40 GHAB O=S(=O)(Cc1ccc(Br)cc1)N[C@@H]1CCCc2ccccc21 20104933 ODJVHERLUHWQBA-QGZVFWFLSA-N 380.307 3.946 0 40 GHAB CC(C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 20448377 NQDQLDDSRDBCBL-ZDUSSCGKSA-N 392.908 3.618 0 40 GHAB O=S(=O)(NCCOc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 23143574 BCDJHTZNYNYHRZ-UHFFFAOYSA-N 379.787 3.716 0 40 GHAB CCOc1cc(/C=C/C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1OC 23156962 FZZZGABYXXCITI-ZRDIBKRKSA-N 394.515 3.888 0 40 GHAB COCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1c(F)cccc1Cl 27587755 RQZQOHJNLVYXAM-GFCCVEGCSA-N 375.831 3.701 0 40 GHAB COc1ccc(NC[C@H](O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 27588795 UGHPRPRYFKEVIZ-FQEVSTJZSA-N 377.440 3.778 0 40 GHAB O=C(CCc1ccccc1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccc2c(c1)OCO2 27698354 RPIMKXBUYVEUDF-SEJPIABJSA-N 392.499 3.660 0 40 GHAB COC(=O)c1cc([C@H]2N(Cc3ccco3)C(=O)c3ccccc3N2C)oc1C 28924017 BVVSUDORBVMZGL-LJQANCHMSA-N 380.400 3.759 0 40 GHAB Cc1noc(-c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)N(C)C)cc2)n1 29873223 BDVAPKUONYFBAV-SFHVURJKSA-N 384.867 3.731 0 40 GHAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 30847428 BQDHPUSUEYOMHO-LJQANCHMSA-N 390.505 3.584 0 40 GHAB COC(=O)n1c(CSc2nc3cc(OC)c(OC)cc3[nH]2)nc2ccccc21 30952761 VEEXJGPGQALODJ-UHFFFAOYSA-N 398.444 3.837 0 40 GHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)cc2Cl)nn1 32103692 AEJLNYHKRLPPQF-GFCCVEGCSA-N 387.802 3.895 0 40 GHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 32913123 KVFBGLCNVCBVLE-HIFRSBDPSA-N 376.863 3.705 0 40 GHAB C[C@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 32929733 IWOSRRMPMUJQFT-QGZVFWFLSA-N 387.545 3.946 0 40 GHAB CC(=O)N1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 32980224 VJLSGUPTVILIIH-UHFFFAOYSA-N 376.378 3.677 0 40 GHAB CC(=O)c1ccc(OCCCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 32994748 XAUKWQHIXBATPR-UHFFFAOYSA-N 383.400 3.618 0 40 GHAB COc1cccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)c1 35290238 CFGOTXDVLACKMZ-VLIAUNLRSA-N 384.505 3.786 0 40 GHAB O=C(CN1CC[C@@H]2CCCC[C@H]2C1)Nc1ccccc1C(=O)NC1CCCC1 36389979 IOJAONLESJWQFQ-ROUUACIJSA-N 383.536 3.810 0 40 GHAB COc1ccc(CNC(=O)N2CCC(Cn3cnc4ccccc43)CC2)cc1 36708943 HIXDCQRUGKWKDQ-UHFFFAOYSA-N 378.476 3.667 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1NC(=O)c1ccncc1 38490163 QGIHSVHWRSSLPE-UHFFFAOYSA-N 376.372 3.707 0 40 GHAB O=C(C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 39964137 GNOSITULCFIROW-KRWDZBQOSA-N 398.825 3.908 0 40 GHAB O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1CCC(c2nc3ccccc3o2)CC1 40144640 ATIZTWJCXRIPPK-HXUWFJFHSA-N 393.418 3.866 0 40 GHAB CCC(=O)N1CCc2cc(C(=O)NC[C@H](c3ccsc3)N(CC)CC)ccc21 40154369 MYKZMHIWBLWYFT-HXUWFJFHSA-N 399.560 3.860 0 40 GHAB O=C(O)c1ccc([C@@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccccc4)c32)cc1 40313256 SVTOQCRIKRJKSN-HNNXBMFYSA-N 376.368 3.997 0 40 GHAB biogenic CC(=O)NCC1CCN(C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 48374812 PPWFWVSTWMJGLR-QZTJIDSGSA-N 397.544 3.721 0 40 GHAB Cc1ccn2cc(C(=O)Nc3ccc(C(=O)N4CCCCCC4)cc3)nc2c1 55742152 CFXHKEVGJYHNRI-UHFFFAOYSA-N 376.460 3.911 0 40 GHAB CCCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2c1=O 57510621 VJEYAFYBJKBOBU-UHFFFAOYSA-N 396.834 3.860 0 40 GHAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2cccc(F)c2)c(=O)c1C 57528193 LALSYGPTWQTGJX-UHFFFAOYSA-N 385.826 3.958 0 40 GHAB CCCN(C)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 58137129 CPXSOHSVWOLLKH-HXUWFJFHSA-N 380.467 3.925 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)C2(c3ccc(Br)cc3)CC2)C1 58430572 ONNHNLNWPYAMJC-BZUAXINKSA-N 393.369 3.963 0 40 GHAB CCN(C1CC1)S(=O)(=O)c1c(C)nn(Cc2cccc3ccccc23)c1C 63461078 IMZRZVBWXAKHGN-UHFFFAOYSA-N 383.517 3.874 0 40 GHAB Cc1nnsc1C(=O)Nc1nnc(SCc2ccc(F)c(F)c2)s1 70634972 HZOGRJRDUNECLV-UHFFFAOYSA-N 385.446 3.521 0 40 GHAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc3c(c2)OCO3)[nH]n1 71113080 ASAUQYIQHMHJIS-UHFFFAOYSA-N 393.443 3.914 0 40 GHAB COc1ccc(NC(=O)c2cn(CC(C)C)c(=O)c3ccccc23)c(OC)c1 71288203 WIAFMYHOKXCIMB-UHFFFAOYSA-N 380.444 3.927 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2Br)cc1 72211621 RUKVNLYIUSJTDK-HNNXBMFYSA-N 381.295 3.678 0 40 GHAB CCCc1ncc(CN2C[C@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cn1 72340985 OXYYHSFARQYGBZ-XQFWAAQXSA-N 381.520 3.557 0 40 GHAB COc1ccc(CNC(=O)N2CCC(COCc3ccc(F)cc3)CC2)cc1 77191555 NZCWGISNTAAFAZ-UHFFFAOYSA-N 386.467 3.973 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccccc3)c3ccccn3)nn2)n1 77197134 BIJJWXRMDMSFIC-UHFFFAOYSA-N 384.443 3.521 0 40 GHAB Cc1nc(-c2ccc(C)c(NC(=O)NC[C@@H]3CCN(c4ccccc4)C3)c2)n[nH]1 79021067 PDJALNHURIFHPL-KRWDZBQOSA-N 390.491 3.737 0 40 GHAB C[C@H]1[C@@H](C)Sc2ccccc2N1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 79025795 KNCPXYRSQKPDQY-LSDHHAIUSA-N 395.528 3.907 0 40 GHAB COCCn1c(SCCNC(=O)C2CCCC2)nc2cc(Cl)ccc21 79098665 GJJQRJXFGIJZCX-UHFFFAOYSA-N 381.929 3.735 0 40 GHAB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C(F)(F)F)cn1 79108417 BZYWXKJAMFXNGY-GFCCVEGCSA-N 376.425 3.860 0 40 GHAB Cc1nc([C@H]2CCCN(C(=O)/C(=C/c3ccco3)c3ccccc3)C2)cc(=O)[nH]1 82039536 CFESQHVHITXFDK-ACRNLXFHSA-N 389.455 3.618 0 40 GHAB CCC(C)(C)C1CCC(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CC1 84718819 DLLPYDVAJRGLSX-OKBNPKMXSA-N 395.613 3.823 0 40 GHAB Cc1noc(C2CCN(Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC2)n1 91833797 URWUKRKNWXYNNN-SFHVURJKSA-N 391.899 3.969 0 40 GHAB Cc1ccccc1NC(=O)c1cc(-c2cnc(N(C)C)nc2)cn1CC1CC1 96037637 GDZQYMIZGMIUKL-UHFFFAOYSA-N 375.476 3.982 0 40 GHAB C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)N1[C@@H](C)CCC[C@@H]1C 102516383 IQTVHGMEQYHENY-AVGNSLFASA-N 379.917 3.586 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)c(C)c1)N(c1ccccc1)S(C)(=O)=O 219087422 SMVXCNHJIBTPRY-PXNSSMCTSA-N 388.533 3.725 0 40 GHAB CC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220522094 XOXZHNJQGQVESH-DNVCBOLYSA-N 392.496 3.556 0 40 GHAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)C2CCCCC2)c2ccccc2O1 222972853 AECBMJMQMYXZEY-NRFANRHFSA-N 378.472 3.677 0 40 GHAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1 223558136 DYWZBFAMISDMKT-HXUWFJFHSA-N 396.531 3.750 0 40 GHAB CCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224344578 ZUIAEWBEOSCZHU-UHFFFAOYSA-N 387.288 3.568 0 40 GHAB FC(F)(F)c1ccc(NC(=S)NC2CCN(C3CCOCC3)CC2)cc1 225214446 CXZXAEPDXUKFQU-UHFFFAOYSA-N 387.471 3.635 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 225215072 URJBXOBWYZSZGZ-SFHVURJKSA-N 384.545 3.949 0 40 GHAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 225691989 YYCSCPSPCCZDTO-FQEVSTJZSA-N 396.531 3.830 0 40 GHAB CCOc1cc(CNC(=S)Nc2ccc(OC)cc2OC)ccc1OC 225770184 SXWDACGVCXDYAT-UHFFFAOYSA-N 376.478 3.598 0 40 GHAB O=C(COc1cccnc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 257302999 SFJHAEJRJXVPRU-FQEVSTJZSA-N 395.434 3.932 0 40 GHAB O=C(Cc1cccs1)N[C@@H]1CCCC[C@]12CN(Cc1cccs1)CCO2 306125999 DIOXOTFEKXXPQJ-QUCCMNQESA-N 390.574 3.682 0 40 GHAB C[C@H](C(=O)Nc1ccc2ccccc2c1)N(c1ccc(F)cc1)S(C)(=O)=O 408554311 CHCMMXCVAAAHHW-CQSZACIVSA-N 386.448 3.772 0 40 GHAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1 409004742 QPJJFMBARWCFGW-UHFFFAOYSA-N 390.480 3.788 0 40 GHAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1 409180139 WQKSOATXSXJHKR-UHFFFAOYSA-N 391.379 3.757 0 40 GHAB Cc1nccn1-c1ccc(CN2C[C@@H]3CCC[C@](O)(c4cccnc4)[C@H]3C2)cc1 409412967 IMNASUCEEHLLKK-OYDLWJJNSA-N 388.515 3.695 0 40 GHAB Cc1nccc(OC2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)n1 585147053 YRYZRNIUWZIZDT-UHFFFAOYSA-N 380.370 3.879 0 40 GHAB COc1ccc([C@@H]2OCC[C@H]2NC(=O)Nc2cn(C)nc2C2CCCCC2)cn1 623090518 RDNUFRFKESENQF-UZLBHIALSA-N 399.495 3.523 0 40 GHAB C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)C1 623208240 NNTZQYKUWRLJCO-UWWQBHOKSA-N 396.539 3.648 0 40 GHAB C[C@H]1C[C@H](NC(=O)c2csc(C(F)(F)F)c2)c2ccsc2S1(=O)=O 627417436 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RJSQHGJCDADIRW-QYZOEREBSA-N 384.863 3.987 0 40 GHAB CCOc1ccc(NC(=O)C2CCN(C(=O)NCc3ccccc3)CC2)cc1 4388732 XEEBELPYMSXFKW-UHFFFAOYSA-N 381.476 3.646 0 40 GHAB CCCN(CCC)C(=O)CSc1nnc(C)n1-c1ccc(OCC)cc1 6629481 QISRVAOXLRSBIY-UHFFFAOYSA-N 376.526 3.715 0 40 GHAB COc1ccc(OC)c(C2=NO[C@H](C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)C2)c1 6738532 QDWFYOUSITXXTD-DVXDUOKCSA-N 386.492 3.624 0 40 GHAB C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 7265272 CDZUOXLDTJBNAM-KINYZMEYSA-N 380.532 3.756 0 40 GHAB Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1Cl 7496444 NNTZTZYKXLRHHZ-UHFFFAOYSA-N 394.906 3.649 0 40 GHAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(C)cc1 7792482 PCFFAUWMSPOMGP-HXUWFJFHSA-N 386.517 3.661 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)NC1CCN(C(=O)c2cccs2)CC1 61717876 QTWGICASFIKTQH-UHFFFAOYSA-N 381.501 3.583 0 40 GHAB CCOC(=O)[C@@H]1C(=O)n2nc(C)c(-c3ccccc3)c2N[C@H]1c1ccccc1 10385243 QAGWEFWKHKRCBD-OALUTQOASA-N 375.428 3.845 0 40 GHAB CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc3cn[nH]c23)CCCCCC1 24496600 NJXBVXJQWLOXPZ-UHFFFAOYSA-N 386.496 3.910 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)OCc1cc(Cl)c2c(c1)OCO2 24910566 XRDVBGCDJUZZIF-UHFFFAOYSA-N 389.791 3.500 0 40 GHAB O=C(NCc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416482 PJBLFQOGLGWUQF-GFCCVEGCSA-N 381.234 3.802 0 40 GHAB COc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)cc1OC 35615943 HEIQEHGOPZWIDR-UHFFFAOYSA-N 390.399 3.886 0 40 GHAB COc1ccc([C@@H](NC(=O)Nc2ccccc2N2CCC(O)CC2)C2CC2)cc1 58155661 QOFJUTSQWOGYTF-QFIPXVFZSA-N 395.503 3.929 0 40 GHAB CCc1ccc(CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)s1 58282400 PDWPAYIIMFQRAV-AWEZNQCLSA-N 378.441 3.532 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)CC(=O)Nc1cccc(F)c1 12776269 KYBDDNVPAOIYMW-UHFFFAOYSA-N 383.448 3.968 0 40 GHAB CCOc1cc(/C=C/C(=O)Nc2cccc(-c3nnn[nH]3)c2)cc(Cl)c1OC 12794384 GWJGOCOBNHOTAF-BQYQJAHWSA-N 399.838 3.579 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 3336425 ALZCQYACPSEKBH-UHFFFAOYSA-N 391.798 3.748 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1C 2399188 YZXOLOUEBIMYBX-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB COc1c(Cl)cc(C(=O)Nc2ccccc2NS(C)(=O)=O)cc1Cl 24889691 PPCNXFPDDNDFKB-UHFFFAOYSA-N 389.260 3.626 0 40 GHAB O=C(CSc1nncn1-c1ccccc1)NCc1ccc(Cl)cc1Cl 3452642 KCXDFCFHGLXFQL-UHFFFAOYSA-N 393.299 3.983 0 40 GHAB Cc1ccccc1NC(=O)CNC(=O)c1ccc(COc2ccccc2C)o1 408560597 DOAPIOBMMAHNLB-UHFFFAOYSA-N 378.428 3.844 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)c1 12978396 NFIQRWJSGIUKEJ-ZIAGYGMSSA-N 389.521 3.891 0 40 GHAB COc1cc(CNC(=O)c2cnc3c(cnn3C(C)C)c2)ccc1OC(F)F 12932443 QILHMDUEVOMMGI-UHFFFAOYSA-N 390.390 3.552 0 40 GHAB CSc1ccc(CN(C)C(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1 13006567 NBTCZXFCUVONNY-UHFFFAOYSA-N 393.468 3.523 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 95351749 CMMSJAVULFBALR-SZMVWBNQSA-N 390.439 3.757 0 40 GHAB Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)o1 6083186 TXXCKMAFIMJIOZ-UHFFFAOYSA-N 398.484 3.685 0 40 GHAB CCCN1CCn2c(nc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc32)C1 13736147 MFZFFTZDMNCGAJ-UHFFFAOYSA-N 394.475 3.531 0 40 GHAB COc1ccccc1CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 6288669 ODTFBVNCXWXTBG-UHFFFAOYSA-N 386.879 3.517 0 40 GHAB CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccncc1)N(c1cc(C)on1)C3=O 5325272 ODNYCTREKXHMJU-LJQANCHMSA-N 387.395 3.797 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 6439606 AGJXYVWSBULWRM-UHFFFAOYSA-N 379.445 3.812 0 40 GHAB CC1CCN(Cc2csc(NC(=O)c3ccc(Cn4cccn4)cc3)n2)CC1 14226721 UUVMNARNARUQOW-UHFFFAOYSA-N 395.532 3.872 0 40 GHAB COc1ccccc1-c1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)n1C 5692061 IFOCDZJQGILGJL-LBPRGKRZSA-N 393.472 3.581 0 40 GHAB Cc1ccc2c(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)coc2c1 5636339 UIACYRRXLYONIR-UHFFFAOYSA-N 398.484 3.707 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1 408555322 WLXYDICTCSTIMY-CYBMUJFWSA-N 388.876 3.799 0 40 GHAB O=C(CC1CCCCC1)NC1CCN(Cn2cnc3cc(F)c(F)cc32)CC1 66859551 YRKWQMMHRKELSH-UHFFFAOYSA-N 390.478 3.823 0 40 GHAB CCOc1ccccc1CNC(=O)N1CCC[C@H]1c1cccc2c1OCCO2 67064639 CBXYGXRTGONVSJ-SFHVURJKSA-N 382.460 3.903 0 40 GHAB Brc1cc2c(cc1CN1CCN(c3ccccc3)CC1)OCCO2 7589054 UVXVHFLSSUXMDJ-UHFFFAOYSA-N 389.293 3.543 0 40 GHAB Cc1nc(-c2cccs2)c(CCC(=O)N2CCN(c3ccccn3)CC2)s1 19819569 WNLNHZBRNHRYGI-UHFFFAOYSA-N 398.557 3.856 0 40 GHAB O=C(NCc1ccccc1)C(=Cc1ccsc1)C(=O)NCc1ccccc1 7746673 KVFDFVUEFAYKBF-UHFFFAOYSA-N 376.481 3.764 0 40 GHAB COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccs3)c3ccccc32)cc1 9530570 BOGAQASTSOZLGJ-JOCHJYFZSA-N 393.464 3.764 0 40 GHAB Cc1ccc(C(=O)Nc2nccs2)cc1NS(=O)(=O)c1ccc(F)cc1 16641575 DPRYOTHVJZAQCT-UHFFFAOYSA-N 391.449 3.644 0 40 GHAB Cc1ccc(OCCNCC(=O)N[C@@H](C)c2ccccc2Br)cc1 16695496 NNUMNGOLZJYPID-HNNXBMFYSA-N 391.309 3.603 0 40 GHAB CC(C)c1nn(-c2ccccc2)cc1CNCCCCN1C[C@H](C)O[C@H](C)C1 96999650 SBTHFGATVMPKFR-BGYRXZFFSA-N 384.568 3.975 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)N3CCC[C@H]3c3ccccc3)C(=O)[C@H]2C)cc1 9957755 NYYFEWCYLRJDEU-XLIONFOSSA-N 391.471 3.516 0 40 GHAB CCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 408594772 PEEXBRQWGPPCOG-UHFFFAOYSA-N 391.493 3.664 0 40 GHAB COc1ccc(CCNC(=O)N(Cc2ccco2)Cc2ccco2)cc1OC 25081826 HLOJGVYUFDZOHU-UHFFFAOYSA-N 384.432 3.844 0 40 GHAB Cc1cc(NC(=O)C2(OC(=O)C(c3ccccc3)c3ccccc3)CC2)no1 65206241 OKPHLYIGBVWGIE-UHFFFAOYSA-N 376.412 3.829 0 40 GHAB c1ccc(Nc2nc(N3CCOCC3)nc(N3CCCc4ccccc43)n2)cc1 32603994 HOVWJJYBDCKVRU-UHFFFAOYSA-N 388.475 3.536 0 40 GHAB O=C(NCCc1ccc(OCc2ccccc2)cc1)c1cccc2ncnc(O)c12 1541058708 XRHQUBVSIYACOE-UHFFFAOYSA-N 399.450 3.887 0 40 GHAB O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2 408622394 PEDGDILDPDBDMG-UHFFFAOYSA-N 383.256 3.891 0 40 GHAB Cc1ccc(NC(=O)Nc2ccc3nc(N4C(=O)CCC4=O)sc3c2)cc1 409136247 YACHXWKBLGIBJB-UHFFFAOYSA-N 380.429 3.902 0 40 GHAB CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1C[C@H]1CCCO1 35312407 NOCJXVQTJSZSFB-MRXNPFEDSA-N 388.537 3.757 0 40 GHAB O=C(CN1CCC[C@@H](c2nccnc2-c2ccccc2F)C1)Nc1nccs1 72358595 ONCHKSDPNWRABW-CQSZACIVSA-N 397.479 3.557 0 40 GHAB O=C(c1cscn1)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 72362636 SENIWQHDAHUGEN-UHFFFAOYSA-N 384.436 3.884 0 40 GHAB Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2cccc3ccccc23)cc1Cl 70636225 HNGMHWQBMMYJPU-IBGZPJMESA-N 382.847 3.590 0 40 GHAB Cc1cc(Cl)cc2cc(-c3noc(-c4cn(C[C@@H]5CCOC5)nn4)n3)oc12 528179547 ODDGICGEEKPFBP-NSHDSACASA-N 385.811 3.740 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(F)cc1 222433709 QNYOCRZBVAGDEK-INIZCTEOSA-N 388.508 3.531 0 40 GHAB CCn1nc(C)cc1NC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Cl 227159796 AAIFCZCWOBUFQN-UHFFFAOYSA-N 387.871 3.847 0 40 GHAB Cc1ccc(NC(=S)NCCCN2CCCCCC2)cc1N1CCCC1=O 225401314 IJQIFSXSIGBWRN-UHFFFAOYSA-N 388.581 3.674 0 40 GHAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCCOC)cc1Cl 224317125 SBPCAWRHRSWMJX-UHFFFAOYSA-N 390.867 3.757 0 40 GHAB CCN(c1ccc(C(=O)NC2CCCCC2)cc1)S(=O)(=O)c1ccccc1 224352624 YRPORQGEYDTSNV-UHFFFAOYSA-N 386.517 3.964 0 40 GHAB C[C@@H](CNC(=O)CS(=O)(=O)Cc1cccc2ccccc12)c1ccccc1 224952372 VKXUYOZLVFECMW-KRWDZBQOSA-N 381.497 3.675 0 40 GHAB Cc1nc([C@H]2CCN(C(=O)Nc3ccnc(Oc4ccccc4Cl)c3)C2)n[nH]1 579210632 GFNKIZULPPQPIA-ZDUSSCGKSA-N 398.854 3.975 0 40 GHAB Cc1ccc([C@H]2[C@H]3C(=O)N(C(C)C)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 95909120 YZTAPIFIOPKYTP-QYZOEREBSA-N 384.863 3.903 0 40 GHAB Cc1occc1C(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccccc1O2 96053172 KBTIFJSLFMSGFG-QGZVFWFLSA-N 396.487 3.607 0 40 GHAB Cc1cccc(N2C[C@]3(CCN(C(=O)c4cnc5ccccc5c4)C3)CC2=O)c1 96238524 JTQGWKXDMLKZHC-XMMPIXPASA-N 385.467 3.812 0 40 GHAB CC(C)Cn1c(CCNC(=O)Cc2ccc3c(c2)OCC3)nc2ccccc21 96231083 QQYAELKEDJWQHH-UHFFFAOYSA-N 377.488 3.529 0 40 GHAB CSCC[C@H](NC(=O)c1ccc2nc(C)sc2c1)c1nnc2ccccn12 96118463 PRECRUJWCDSIDD-HNNXBMFYSA-N 397.529 3.872 0 40 GHAB O=C1c2ccccc2C(=O)N1CCCCN1CCO[C@@H](c2ccc(Cl)cc2)C1 52248193 RKMOWRKHWWASMG-HXUWFJFHSA-N 398.890 3.790 0 40 GHAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)CC1(OCCO1)[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]12 253617116 HVWSAXRIUJFDOY-QKYFFWMQSA-N 390.520 3.883 0 40 GHAB NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccc2)CC1 257293722 QQWKPOTZYDQYLA-UHFFFAOYSA-N 399.494 3.699 0 40 GHAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)Cn2cc(C)cn2)o1 257254811 KETOXPKPJFQSRY-IBGZPJMESA-N 394.475 3.533 0 40 GHAB Cc1cnc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)cn1 257270950 MWHAEROJKGOYFS-IBGZPJMESA-N 380.423 3.870 0 40 GHAB Cn1cc(CN(CCn2ccnc2)C(=O)c2cc(Cl)cc3ccccc23)cn1 1140377301 DTJRZYFCXHJJOJ-UHFFFAOYSA-N 393.878 3.766 0 40 GHAB Cn1ncc(NC(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1-c1ccccc1 654083793 WSHLERMEEKRVTN-DZGCQCFKSA-N 382.386 3.709 0 40 GHAB Cc1ccncc1CC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 666538697 YLDIBGTUCGJVHB-OAQYLSRUSA-N 391.540 3.910 0 40 GHAB Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccn(C)n3)cs2)cc1 585295414 YOFQWJYTEKNGQH-GOSISDBHSA-N 381.505 3.774 0 40 GHAB Cc1nccn1C[C@H](C)CNC(=O)c1cc(-c2ccncc2)nc2ccccc12 47938069 GJKHVAPVJQARJD-MRXNPFEDSA-N 385.471 3.868 0 40 GHAB O=C(N1CCC(CN2CCOCC2)CC1)N(c1ccccc1)c1ccccc1 95462118 AVDGIAMPBBSGDJ-UHFFFAOYSA-N 379.504 3.989 0 40 GHAB CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCCc1cccc(Cl)c1 95996412 BPQHUTXOOVZQFA-UHFFFAOYSA-N 384.860 3.637 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 5560597 ZOEXEABLPHSTAP-GDIGMMSISA-N 375.465 3.806 0 40 GHAB CC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 12362802 WTSGQAZJDITBDD-KRWDZBQOSA-N 387.549 3.660 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 14398381 NWMXQMQCOXUNSK-KXOMFBTKSA-N 394.515 3.710 0 40 GHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)CC1 14853170 OUAJMHJHFSCDIC-UHFFFAOYSA-N 392.455 3.591 0 40 GHAB CSc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1N1CCOCC1 16424303 DRKODZJEMOOIOT-KRWDZBQOSA-N 399.560 3.704 0 40 GHAB Cc1cnc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2onc(C)c2C)cn1 19238909 WSAOZYKDCGHPGA-SFHVURJKSA-N 392.463 3.523 0 40 GHAB c1ccc([C@H]2CCN[C@@H]3CCCCN(Cc4ccnc(N5CCCC5)n4)[C@@H]32)cc1 19373933 OFCRZRWFCDFJSI-DNVJHFABSA-N 391.563 3.577 0 40 GHAB COc1ccc(CC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2)cc1F 19559574 FSKPPTXYDLHLPV-IBGZPJMESA-N 394.450 3.916 0 40 GHAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(C)n3)C2=O)c1 6415187 DTIFHHVQHVBWHB-LICLKQGHSA-N 381.457 3.682 0 40 GHAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@](O)(c2ccc(F)cc2)CC1 19332942 HONBKJKKGXVSTJ-TZIWHRDSSA-N 389.854 3.683 0 40 GHAB COc1nccc(N(C)C)c1NC(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl 36397092 RJEFMYREOZPLGL-BQYQJAHWSA-N 391.903 3.622 0 40 GHAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl 21822166 VJIALRQNZJBVAB-UHFFFAOYSA-N 378.303 3.750 0 40 GHAB COc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)cc1 4164132 UBDQQFRODSILOU-UHFFFAOYSA-N 391.456 3.531 0 40 GHAB O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc(F)cc1 4374704 GEKOWXOJUMYPRQ-UHFFFAOYSA-N 384.411 3.709 0 40 GHAB Cc1nnc(NC(=O)[C@@H]2CCCc3sc(NC(=O)c4ccccc4)nc32)s1 9072355 RQVDHSZJZCFWCK-GFCCVEGCSA-N 399.501 3.614 0 40 GHAB Cc1ccc([C@@H](CNC(=O)Cc2cccc3ccccc23)N2CCOCC2)cc1 23105845 ICCVQRKZHJYLQC-XMMPIXPASA-N 388.511 3.880 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3ccc(O[C@@H]4CCSC4)nc3)CC2)c1C 225716545 YNSFHZZLRNZVAN-LJQANCHMSA-N 397.544 3.545 0 40 GHAB Cc1ccc(NC(=O)c2cccc3c4c([nH]c23)CCCCC4)cc1S(N)(=O)=O 40070104 RRFGLDRPQKABMR-UHFFFAOYSA-N 397.500 3.645 0 40 GHAB O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)[C@@H]1CC=CCC1 40107813 XFCCSONPKDGERX-PBHICJAKSA-N 380.410 3.841 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)c1cccc(CS(=O)(=O)c2ccccc2)c1 40140346 MADYVODXAAPPTL-UHFFFAOYSA-N 399.497 3.642 0 40 GHAB O=C1[C@H]2C(c3ccccc3Cl)=NO[C@H]2C(=O)N1c1ccc2ccccc2c1 101359527 YYKYUBGEQZFUNX-PKOBYXMFSA-N 376.799 3.786 0 40 GHAB COc1ccccc1[C@@H](C)N(C)C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 32796591 HZJGQYYGUSAQSS-MSOLQXFVSA-N 380.488 3.885 0 40 GHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)C1 102975381 XWHYFJGYGATUIV-NYYZCNNJSA-N 395.591 3.745 0 40 GHAB CC(=O)Oc1ccc(N2C(=O)c3ccc(Oc4cccc(N)c4)cc3C2=O)cc1 827828 HVAPMQZOLRQDLJ-UHFFFAOYSA-N 388.379 3.787 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)NCc1ccco1 905249 QFNCSKNEBQMWPU-UHFFFAOYSA-N 397.504 3.847 0 40 GHAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)Nc3nccs3)n12 929721 ZWYWMKWKBVRELG-UHFFFAOYSA-N 383.502 3.995 0 40 GHAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C)o1 684329 SGBHBLZTVNNBRX-GOSISDBHSA-N 382.445 3.996 0 40 GHAB CCOc1ccc(C(=O)CCC(=O)Nc2cc(N3CCOC3=O)ccc2C)cc1 78947389 UWHXPJBKDYMUHL-UHFFFAOYSA-N 396.443 3.952 0 40 GHAB Cc1cc(NC(=O)CN2c3ccccc3OC[C@@H]2C)n(-c2ccc(F)cc2)n1 78950531 WNHDJBNBNXRSOM-HNNXBMFYSA-N 380.423 3.546 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1cccc(Cl)c1 79092605 ABAWZGSDFNENJO-LLVKDONJSA-N 378.881 3.609 0 40 GHAB COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1F 6849660 LEPCLXIUYWHODU-UHFFFAOYSA-N 397.358 3.719 0 40 GHAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(-c2ccccc2)cc1 8890535 NXOXJDAKTYBYCX-RUZDIDTESA-N 396.446 3.930 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 7843418 JHBLDSWAFMJBIC-UHFFFAOYSA-N 399.498 3.876 0 40 GHAB O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1ccc2c(c1)C(=O)NC2 58749286 OMDKBWJKJMDUFU-UHFFFAOYSA-N 389.889 3.950 0 40 GHAB COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1O 54797758 KMHPLMDMUKMAAP-HNNXBMFYSA-N 397.500 3.543 0 40 GHAB COc1ccc(CCNCc2cc(Br)c(OC)c(OC)c2)cc1 8474293 LGMSFSRTTWKWNE-UHFFFAOYSA-N 380.282 3.807 0 40 GHAB O=C(NCc1ccccc1)[C@@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1 24673182 VSOBYHKPSPBHQQ-INIZCTEOSA-N 395.311 3.825 0 40 GHAB Cc1cc(NC(=O)c2cc(Br)ccc2O)ccc1N1CCCC1=O 24843312 ZFHVQBJADXUECW-UHFFFAOYSA-N 389.249 3.842 0 40 GHAB Cc1ccc(-n2c(C)nn(CN3CCN(c4ccc(F)cc4)CC3)c2=S)cc1 56552626 RLKCESJOADEWML-UHFFFAOYSA-N 397.523 3.939 0 40 GHAB C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(O)cc2)CC1 57406134 OJHNJRKYWYBKCR-CQSZACIVSA-N 393.409 3.560 0 40 GHAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccccc3OC(F)F)CC2=O)c1C 10115304 UVWNBDCJTJJZCS-INIZCTEOSA-N 388.414 3.574 0 40 GHAB CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 27581452 WBICNCHYPNTRHC-NRFANRHFSA-N 382.504 3.587 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)c1 20105282 GINQVMFWZIHEAK-CYBMUJFWSA-N 389.473 3.918 0 40 GHAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 12604404 CMIBDIKCMMTERZ-UHFFFAOYSA-N 398.466 3.689 0 40 GHAB COC(=O)CCCNC(=O)CSc1nc2ccccc2n1C1CCCCC1 10398332 RYJOSVFKPWVNDO-UHFFFAOYSA-N 389.521 3.703 0 40 GHAB C[C@@H]1CCCN(Cc2ccc(NC(=O)c3ccnc(-n4ccnc4)c3)cc2)C1 58395144 NAOAYIGAPSALQE-QGZVFWFLSA-N 375.476 3.752 0 40 GHAB Cc1cc(CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c2[nH]c(C)c(C)c2c1 58420207 NYSWMYMYOFXJKI-SFHVURJKSA-N 396.535 3.637 0 40 GHAB Cc1ccc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc(=O)c2c1 28288199 XXBULHWIZHXRNI-INIZCTEOSA-N 382.485 3.730 0 40 GHAB COc1ccc2nc(SCc3nc(COc4ccc(F)cc4)no3)[nH]c2c1 12756922 BXAHAYBYABNTOE-UHFFFAOYSA-N 386.408 3.965 0 40 GHAB CC(C)n1ncc2c(C(=O)Nc3ccccc3C(N)=O)cc(-c3ccco3)nc21 10851468 BROJIVPCFWVHEN-UHFFFAOYSA-N 389.415 3.623 0 40 GHAB NC(=O)[C@H](OC(=O)COc1ccc2oc3ccccc3c2c1)c1ccc(F)cc1 10915669 LKVPONDWLLSUNZ-OAQYLSRUSA-N 393.370 3.874 0 40 GHAB Cc1ccc([C@@H](NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)C2CC2)cc1 12881800 NBRDZXHXNZCUTH-QGZVFWFLSA-N 398.425 3.973 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)N[C@H](CC(C)C)c3ccccc3)cnc12 12822379 VMXLJJKEBPIERE-HXUWFJFHSA-N 377.488 3.999 0 40 GHAB O=C(NCc1ccco1)c1ccccc1NCC(=O)N1CCCc2ccccc21 3432770 RSVAWMPLMXZJNK-UHFFFAOYSA-N 389.455 3.601 0 40 GHAB Cc1ccc(-c2nnc(S)n2CC(=O)NCCc2ccc(Cl)cc2)cc1 12997541 XVCMXERCCHUMNM-UHFFFAOYSA-N 386.908 3.555 0 40 GHAB CCN(C(=O)CN1CCC(C(=O)c2ccc(OC)cc2)CC1)c1ccccc1C 13009128 DWFBMECSFOZHKF-UHFFFAOYSA-N 394.515 3.951 0 40 GHAB CCCN(C[C@H]1COc2ccccc2O1)C(=O)/C=C/c1ccc2c(c1)OCO2 13149870 DHRFJJMCBSEIEG-VMSUTVGLSA-N 381.428 3.507 0 40 GHAB CCn1c(COc2ccccc2F)nnc1SCC(=O)NC1CCCCC1 408547414 WMVAPLIVAIMLOG-UHFFFAOYSA-N 392.500 3.557 0 40 GHAB Cc1c(C=O)c2ccccc2n1CC(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 39761039 LRJNILNXTMOUFA-OAHLLOKOSA-N 392.455 3.801 0 40 GHAB CCOc1ccccc1/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1C1CC1 14068311 QEKLTBIDYWBTJV-LNVKXUELSA-N 395.484 3.987 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 14165082 SOAVVSYCWMEMDA-OXQOHEQNSA-N 392.565 3.948 0 40 GHAB CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1cc(Cl)ccc1Cl 5427903 LXVSJCKIRMBOJN-UHFFFAOYSA-N 398.271 3.864 0 40 GHAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cncc4ccccc34)ccc21 96012723 XEUWQQJFHIJUJD-CQSZACIVSA-N 388.423 3.572 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1 409411369 HDLMLTBONNTMGU-CQSZACIVSA-N 380.897 3.750 0 40 GHAB CCc1nn2c(=O)cc(CN(C)Cc3ccc(Cl)cc3Cl)nc2s1 6847819 BSARRUNFONOSDI-UHFFFAOYSA-N 383.304 3.652 0 40 GHAB COc1ccccc1CNC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 67013453 CZHLFFWHDGJVLX-GOSISDBHSA-N 378.831 3.771 0 40 GHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(C(F)(F)F)cc1 7810729 QAGFTFYMLHKLPL-UHFFFAOYSA-N 375.350 3.604 0 40 GHAB CCC(=O)N(c1nnc(SCC(=O)Nc2ccccc2CC)s1)C1CC1 9513946 VLSLGAWRLSATCW-UHFFFAOYSA-N 390.534 3.737 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3ccccc3[nH]2)cc1C 69819464 PCZZJHQFAQSNLL-IBGZPJMESA-N 379.485 3.939 0 40 GHAB Cc1ccc2nc(N(CCN3CCOCC3)C(=O)C3CCCCC3)sc2c1 22998396 HEKJBVKOSCQDQI-UHFFFAOYSA-N 387.549 3.850 0 40 GHAB CN1C[C@@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@@H]2[C@@H]1c1ccccc1 72304898 QYGUSLVJRGZLOY-QTEQDKRBSA-N 397.950 3.581 0 40 GHAB Cc1cc(NC(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)ccc1C(N)=O 95958299 URNFQIPLCSMGOO-INIZCTEOSA-N 394.519 3.648 0 40 GHAB Cc1cc2nc(-c3ccc(CNC(=O)[C@@H]4CCn5cncc5C4)cc3)[nH]c2cc1C 95972838 IIIXPKNOJBNMHN-LJQANCHMSA-N 399.498 3.922 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 24796068 NRSXXGSFMYRPEV-GOSISDBHSA-N 390.842 3.869 0 40 GHAB COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccsc4)C2)OC3)c1 306135118 OIKUSWBVSHVTNI-OAQYLSRUSA-N 381.501 3.795 0 40 GHAB CCn1c(CN2CCC[C@@H]2Cc2ccccc2OC)nc2cc(C(=O)O)ccc21 516776679 CPTCHGITZGVREC-GOSISDBHSA-N 393.487 3.970 0 40 GHAB C[C@H]1CN([C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)C[C@H](C)O1 33909659 KLADKBTYRMALAX-CTEHBZJOSA-N 391.726 3.622 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 409380520 FYRFOMKLYHIEJB-NSHDSACASA-N 387.288 3.787 0 40 GHAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)Nc1ccc(Cl)cc1 1565524926 YCLGCBSRCYFGAV-UHFFFAOYSA-N 384.863 3.874 0 40 GHAB O=C(O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1NCc1ccccc1 217579768 MRLFAYPVNZQRPK-UHFFFAOYSA-N 388.489 3.608 0 40 GHAB COc1ccc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)cc1F 38752591 RYONDQGFIUFHQG-UHFFFAOYSA-N 381.469 3.533 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2N2CCN(C)CC2)c(C)c1 72193711 AIOMVJJJDCKSNV-UHFFFAOYSA-N 393.940 3.509 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 216435046 GRPUEWULJOWBCZ-QGZVFWFLSA-N 398.503 3.982 0 40 GHAB COc1ccccc1Oc1cncc([C@@H]2CCCN(Cc3cnn(C)c3C)C2)n1 72362584 ZTXZTPCTGYPCMP-QGZVFWFLSA-N 393.491 3.699 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)N2CCN(c3ccccc3O)CC2)c1 40103921 PUZGSYQUYFQBSP-UHFFFAOYSA-N 385.464 3.544 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225743724 NPTIVFVPXJWWLC-AWEZNQCLSA-N 390.530 3.578 0 40 GHAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 225847061 WQKRBHGBKALEKR-INIZCTEOSA-N 386.517 3.724 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 223872717 KLXAJTOHCDXRMF-CYBMUJFWSA-N 392.924 3.578 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1F 225718520 MYQFFSWPKSUDGP-IBGZPJMESA-N 386.467 3.537 0 40 GHAB COc1cc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc(OC)c1OC 226255352 FFDXJZHFQKCJJG-UHFFFAOYSA-N 399.491 3.783 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C 222947314 CTXUOGJZGBNDTK-IBGZPJMESA-N 382.504 3.707 0 40 GHAB Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](N(C)Cc4ccco4)CCC[C@H]3C2)c1 96054572 LMMGCAKKQWYAKJ-WMQCIHAUSA-N 388.533 3.509 0 40 GHAB CN1C(=O)C[C@H](N2CCc3c([nH]c4ccccc34)[C@H]2c2ccccc2Cl)C1=O 242495775 GPVFEZXCNNOIKT-GHTZIAJQSA-N 393.874 3.526 0 40 GHAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 257244161 IKDSIJVFDKCOTB-SFHVURJKSA-N 379.439 3.611 0 40 GHAB COc1cc(C)c(NC(=O)N(C)[C@H]2CCC[C@H]2N2CC[C@H](OC)C2)c(C)c1C 626564612 SZDCEJVVAQNXGQ-GBESFXJTSA-N 389.540 3.726 0 40 GHAB CC(C)[C@H]1OCCC[C@@H]1CNC(=O)NCCCc1c[nH]c2ccc(F)cc12 1229107624 LGKCUUNOIWEJKK-OXQOHEQNSA-N 375.488 3.990 0 40 GHAB O=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1cccs1 90607148 QHIYHIFIXHDUOW-UHFFFAOYSA-N 388.518 3.600 0 40 GHAB COC(=O)N1CCc2ccc(NC(=O)c3cc(Br)cs3)cc2C1 96120710 FFFADBKIUXJPEO-UHFFFAOYSA-N 395.278 3.887 0 40 GHAB O=C(/C=C/c1ccccc1)N1CCC[C@@H](c2csc(N=c3cncc[nH]3)n2)C1 585291501 CYCBQPFNYBPGRL-KBOKABMXSA-N 391.500 3.518 0 40 GHAB Cc1ccc(-c2nnc3s/c(=C\c4ccc(C(C)(C)C)cc4)c(=O)n23)cc1 4183959 JXSIMVFTRVHRRG-AQTBWJFISA-N 375.497 3.972 0 40 GHAB CCn1c(SCc2nc(-c3ccccc3C)oc2C)nc2c(=O)[nH]cnc21 12413723 OZRWKLUUAAPPEB-UHFFFAOYSA-N 381.461 3.704 0 40 GHAB biogenic,in-vitro Cc1oc2cc(OCC(=O)NCC(F)(F)F)ccc2c(=O)c1-c1ccccc1 13003363 CUEPMMZFFIOKCO-UHFFFAOYSA-N 391.345 3.826 0 40 GHAB COC(=O)c1cc(NC(=O)CCSc2ccc(C)cc2)cc(C(=O)OC)c1 15589797 AXGRUQYDKOFLNN-UHFFFAOYSA-N 387.457 3.689 0 40 GHAB CCCc1nn(CC(=O)Nc2cccc(Cl)c2)c(=S)n1-n1cccc1 16777842 CUZPNLGTPVREAA-UHFFFAOYSA-N 375.885 3.772 0 40 GHAB CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](COc3ccccc3F)C2)c(=O)[nH]1 19084388 SFVJXLFBEGKNBH-OAHLLOKOSA-N 386.467 3.743 0 40 GHAB COc1cccc(-c2cnc(NCCc3ccccn3)nc2-c2nccn2C)c1 19291689 SGTLTNZEWYSXLN-UHFFFAOYSA-N 386.459 3.602 0 40 GHAB O=C1CCCCCN1CC(=O)N(Cc1ccc(Cl)cc1)Cc1cccnc1 19338697 HCLLSCCMEQBBBH-UHFFFAOYSA-N 385.895 3.666 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)[C@@H](c3ccccc3)N3CCCC[C@H]3C)cc2NC1=O 19496324 LDIYXNVMTYBEDU-VWKPWSFCSA-N 393.487 3.960 0 40 GHAB O=C(Cc1ccccc1)N1CCO[C@H](c2nccnc2-c2cccc(Cl)c2)C1 19693314 INOMSSYRUDOAJK-IBGZPJMESA-N 393.874 3.940 0 40 GHAB O=C(Cc1ccccc1)N1CCO[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 19693315 INOMSSYRUDOAJK-LJQANCHMSA-N 393.874 3.940 0 40 GHAB CN(C)C(=O)c1ccc([C@H]2CCCN(C(=O)C(C)(C)c3ccc(F)cc3)C2)nc1 19705918 FRSYBFHLUDINOJ-KRWDZBQOSA-N 397.494 3.606 0 40 GHAB O=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1cncn1-c1ccc(F)cc1 7120355 KYQNRNDGKYORFW-FQEVSTJZSA-N 393.418 3.532 0 40 GHAB CC(C)N1CCCN(C(=O)CCc2ccccc2)c2ccccc2CNCC1 643588955 NZAIPZYRUNXLHP-UHFFFAOYSA-N 379.548 3.856 0 40 GHAB Fc1ccc(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1 13266035 MBMMIUJGQWVTIE-UHFFFAOYSA-N 379.361 3.662 0 40 GHAB Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)c3ccccn3)cc2)on1 19123929 QRLZETWOEPNVMR-UHFFFAOYSA-N 385.427 3.740 0 40 GHAB COCCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc21 4484825 JEQCQPWJUPNIMV-AWEZNQCLSA-N 387.480 3.791 0 40 GHAB O=C(c1cccc(F)c1)N1CCC2(CC1)Cn1c(-c3ccsc3)cnc1CO2 1565541926 UHHLPFYRLNWOKI-UHFFFAOYSA-N 397.475 3.956 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)c(OC)c1 4330057 TVSVQMKRJOJCOO-UHFFFAOYSA-N 379.416 3.885 0 40 GHAB C[C@@H](NC[C@H](O)COc1c(F)cc(Br)cc1F)c1ccccc1 6007935 PLLQKDLCQSSRKO-RISCZKNCSA-N 386.236 3.818 0 40 GHAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 17316272 INLFVNGDOGHDPJ-UHFFFAOYSA-N 378.881 3.695 0 40 GHAB O=C(NCc1cccs1)c1nnn(-c2ccccc2Cl)c1-c1ccncc1 38487875 XFIPSMGRSLFBME-UHFFFAOYSA-N 395.875 3.974 0 40 GHAB CC(C)(C)c1ccc(=O)n(CC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 585500075 ZEDHTFGPGFZCNV-UHFFFAOYSA-N 394.441 3.871 0 40 GHAB COc1ccc(NC(=S)N2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)cc1 4033727 DTIYWPRTNVQUAD-LJQANCHMSA-N 382.464 3.902 0 40 GHAB CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 5553481 DOSPZNONFMHNHP-UHFFFAOYSA-N 389.473 3.587 0 40 GHAB CCN1CCN([C@@H](c2ccc(C(C)C)cc2)c2sc3nc(C)nn3c2O)CC1 22458874 YYIDDHICZCFLLZ-SFHVURJKSA-N 399.564 3.655 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NCCN1CCc2ccccc2C1 30363483 VPELTBMLJSANAO-UHFFFAOYSA-N 379.287 3.547 0 40 GHAB Cc1cccc(OCCCC(=O)Oc2ccc(NC(=O)Cn3cccn3)cc2)c1 40134849 AEHPJRLPRZGBRH-UHFFFAOYSA-N 393.443 3.595 0 40 GHAB C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 40104375 NRFNPUDVPGJCFA-CQSZACIVSA-N 392.463 3.523 0 40 GHAB O=C(COCCOc1ccccc1)Nc1ccnn1Cc1ccc(Cl)cc1 40131695 DTHRSSSCHUCKLZ-UHFFFAOYSA-N 385.851 3.619 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H](C)c2cccc(F)c2)cs1 40130450 ACGIJUMGTUVNIP-LLVKDONJSA-N 387.436 3.856 0 40 GHAB CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)n2c1nc1ccccc12 20726853 LFIMEJDYQOMVOW-LJQANCHMSA-N 392.459 3.762 0 40 GHAB O=C(COc1cccc(Br)c1)OCc1cn2cc(Cl)ccc2n1 21369682 OUQAMFLEORDELB-UHFFFAOYSA-N 395.640 3.872 0 40 GHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2n[nH]c(=O)c3ccccc23)cs1 32842265 YVBSARDWGAPMQZ-UHFFFAOYSA-N 388.452 3.558 0 40 GHAB CC(C)NC(=O)c1cc2ccc(OC(=O)c3ccccc3Cl)cc2oc1=O 941568 PNGKADLXKXSRLJ-UHFFFAOYSA-N 385.803 3.804 0 40 GHAB O=C(CSCC(=O)Nc1ccc(Br)cc1)Nc1ccc(F)cc1 958763 BWCYRBLEWYSTKZ-UHFFFAOYSA-N 397.269 3.899 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1ccc(O)cc1)N1CCC1=O 1020798 HPFGCKQBSBLSMF-HSZRJFAPSA-N 386.451 3.571 0 40 GHAB COc1ccc([C@H](O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 1725224 RIYDURCOLZBKPH-QFIPXVFZSA-N 393.464 3.969 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccncc1 2488432 SRFPSZHDXHIMSC-QFIPXVFZSA-N 392.842 3.742 0 40 GHAB COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccc(-c3ccccc3)cc2)c1 2633780 XLLXGCBDCSPLFX-UHFFFAOYSA-N 390.439 3.739 0 40 GHAB CCn1cc(CN(C)C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c(C)n1 2778958 SAUVJLRYGYDYLH-LLVKDONJSA-N 391.825 3.608 0 40 GHAB CCn1ccc(CN(C)C(=O)c2ccc(COc3ccc(F)cc3F)o2)n1 2795387 FRVTXNINPVTTRW-UHFFFAOYSA-N 375.375 3.625 0 40 GHAB O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCCCCCC1 3241459 YXQHARSLYRCNNN-UHFFFAOYSA-N 398.528 3.844 0 40 GHAB O=C(Nc1ccccc1)[C@H](CC(=O)N1CCCCCC1)C(=O)c1ccccc1 3318518 TYDMJDVTNBBRNW-HXUWFJFHSA-N 378.472 3.917 0 40 GHAB COC[C@H](C)n1c(SCC(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O 3403248 TZXBSRFVHDJNIJ-HNNXBMFYSA-N 397.500 3.643 0 40 GHAB COc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1 4169121 ZRYNHZLONNSHFQ-LJQANCHMSA-N 393.439 3.623 0 40 GHAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(F)cc1 4302116 LUQDBHPHTJOAGZ-HXUWFJFHSA-N 394.446 3.819 0 40 GHAB Cn1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc2sccc21 4411473 BQKCZFFJNDKEBK-UHFFFAOYSA-N 382.514 3.812 0 40 GHAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 4500473 ZQSVCERZGKGOKF-INIZCTEOSA-N 395.532 3.953 0 40 GHAB CN1C(=O)[C@](O)(CC(=O)c2cccc(Br)c2)c2cc(Cl)ccc21 4555354 QJSXBNHBEVUXOH-KRWDZBQOSA-N 394.652 3.540 0 40 GHAB CCN(CC)C[C@H](OC)[C@H](COC)OC(=O)C(c1ccccc1)c1ccccc1 4792377 LZLUKZHCUAXOJV-VXKWHMMOSA-N 399.531 3.734 0 40 GHAB Cc1ccc(-c2nc(COC(=O)c3nc4nc(C)cc(C)n4n3)cs2)cc1 5021390 LPRUSFDHLMEMJG-UHFFFAOYSA-N 379.445 3.530 0 40 GHAB O=C(CCC1CCCCC1)N[C@]1(C(F)(F)F)Nc2nc3ccccc3n2C1=O 5209606 SJIIOKTZDCLSAH-SFHVURJKSA-N 394.397 3.837 0 40 GHAB CSc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)c1 5222622 NYXOROCHILLODS-UHFFFAOYSA-N 389.546 3.588 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)C(=O)NCc2cccs2)c1-c1ccccc1 5300091 ZYJLPEQRAWTIDH-UHFFFAOYSA-N 396.468 3.727 0 40 GHAB COc1ccc(CNC(=O)COc2c(Cl)cc(Cl)cc2C(C)=O)cc1 6218851 DLVWJXPGWFKZKR-UHFFFAOYSA-N 382.243 3.900 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O 6366108 NOCSUISKVJVXEC-PILJQMSFSA-N 388.420 3.604 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 6899019 ZKKBEHMJKKWHQL-ZDUSSCGKSA-N 380.444 3.616 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 6987440 OVNUVLVJSOUKEM-UHFFFAOYSA-N 378.900 3.603 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(Cc2ccccc2)CC1 7341738 JRUNCCCZMGPBST-SFHVURJKSA-N 391.515 3.705 0 40 GHAB COc1cc(OC)c(OC)cc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 7342910 ZCIQVRDEKYQISZ-MFOYZWKCSA-N 386.429 3.807 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C(=O)[C@H]2C)cc1 7921440 XJHVWYJJLHUOAT-CQSZACIVSA-N 385.851 3.753 0 40 GHAB Cc1cc2nnc(SCc3cc(=O)n4c(C)csc4n3)n2c2ccccc12 8025332 JSRZRMCJIQOSQW-UHFFFAOYSA-N 393.497 3.861 0 40 GHAB Cc1nc(SCC(=O)NC(=O)NCc2cccs2)n(C2CCCC2)c1C 8484152 NINNHPCUWGIGME-UHFFFAOYSA-N 392.550 3.795 0 40 GHAB O=C1C[C@H](N2CCc3[nH]c4ccccc4c3C2)C(=O)N1c1ccccc1Cl 8765238 MQFCDPNPOAHRDR-IBGZPJMESA-N 379.847 3.512 0 40 GHAB biogenic Cc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)[nH]c1Cc1ccccc1 8813139 NZIOVXRTOZSFKM-UHFFFAOYSA-N 381.457 3.768 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccc(F)cc2)cc1 9357424 QZCWZLACIVJINV-LJQANCHMSA-N 379.391 3.784 0 40 GHAB CCCCn1nnnc1CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 9535737 RUBMYJSOHQARQT-UHFFFAOYSA-N 394.508 3.840 0 40 GHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)NCc1ccccc1Cl 9646551 VEGXCRFKLLHORC-UHFFFAOYSA-N 395.889 3.820 0 40 GHAB COC(=O)c1cc(CNC(=O)N[C@H](C)c2cc3ccccc3o2)ccc1OC 9958647 HWSWDJFJQFKLCS-CYBMUJFWSA-N 382.416 3.788 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1CCC[C@@H]1c1ccccc1 10340585 OJKXLLZVFWRYDI-HXUWFJFHSA-N 379.504 3.537 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O 10449876 NDYDVNNGVLVNFE-HUUCEWRRSA-N 392.480 3.715 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccccc1Cl 11027639 FNWBKQPQJFGNOB-HNNXBMFYSA-N 392.908 3.912 0 40 GHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cncn1-c1ccccc1 11252749 NSGQIBHRUGNOMT-UHFFFAOYSA-N 389.377 3.881 0 40 GHAB COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)C)c3nccs3)C2)c1 12408166 IVCPPTPTNOGADB-IEBWSBKVSA-N 387.549 3.877 0 40 GHAB C[C@@]1(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)CCS(=O)(=O)C1 12931728 WXBSJWLSTZYTMF-PDFOZTTASA-N 395.933 3.775 0 40 GHAB Cc1ccc(CCC2CCN([C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 12995062 KSPYSQJLGDDTQZ-GOSISDBHSA-N 393.531 3.766 0 40 GHAB COc1ccc(-c2nn3c(CCc4ccc(OC)c(OC)c4)nnc3s2)cc1 13691917 VRHAKVZKCCIUGR-UHFFFAOYSA-N 396.472 3.664 0 40 GHAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)NC4CCCCCC4)CC3=O)c2c1 13944644 JBOXXWITKDERQQ-SFHVURJKSA-N 381.520 3.706 0 40 GHAB COc1ccc2nc(NC(=O)C3=NN(c4cccc(C)c4)C(=O)CC3)sc2c1 14201346 WZPHJCUZBVJWDH-UHFFFAOYSA-N 394.456 3.735 0 40 GHAB Cc1nc2cc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)ccc2o1 15578646 VXSFYSQAEXKSPT-UHFFFAOYSA-N 399.397 3.905 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 15579751 XNYVLUYQLOIVHB-UHFFFAOYSA-N 383.379 3.624 0 40 GHAB CC1CCN(C(=O)CSc2nnc(NCc3ccc(F)cc3)s2)CC1 16334728 YODPHLDHQOTMDO-UHFFFAOYSA-N 380.514 3.640 0 40 GHAB O=C(NCCc1csc(-c2ccccn2)n1)c1cccc(Br)c1 19942259 FRHBGPVTAQHOOA-UHFFFAOYSA-N 388.290 3.940 0 40 GHAB COc1cccc(CN(C)C(=O)c2ccc(F)cc2Br)c1OC 21914361 YEEUYJAGYXCXGD-UHFFFAOYSA-N 382.229 3.878 0 40 GHAB Cc1cc(C)c(N(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)c(C)c1 22380061 MGJUVKOTSMPXLY-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)CN1CCN(Cc2ccc(Cl)s2)CC1 22930539 RSQITXPXGMKLPA-MRXNPFEDSA-N 391.968 3.705 0 40 GHAB CC(C)Oc1ccc(C(=O)N2CCN(Cc3nc(C4CC4)cs3)CC2)cc1 23137221 FFFLDJBGQOXOAN-UHFFFAOYSA-N 385.533 3.766 0 40 GHAB C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)NCc1cccs1 25212651 VTIHOTHOASIDOF-GFCCVEGCSA-N 377.897 3.645 0 40 GHAB O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(c2ccccc2O)CC1 26524937 XPOUGLIYNBJOPQ-UHFFFAOYSA-N 375.472 3.715 0 40 GHAB CC(=O)c1ccc(OC[C@@H](O)COc2ccc(NC(=O)c3ccco3)cc2)cc1 27213393 RPSDPPJTDLZOME-GOSISDBHSA-N 395.411 3.553 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(Br)cn2)cc1 28973535 VBNZZMWZKNSOFY-INIZCTEOSA-N 390.281 3.628 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 29481471 HYNOHPCTUXMFLV-QFBILLFUSA-N 382.435 3.551 0 40 GHAB Cc1cc(N2CCOCC2)ccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C 32094640 QBUCVOADHLMROI-UHFFFAOYSA-N 388.533 3.866 0 40 GHAB C[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(-n2cncn2)cc1 32738416 QECQLIXZEFBHFA-QGZVFWFLSA-N 396.450 3.989 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)Cc3csc(-c4cccs4)n3)cc2NC1=O 32772923 JRXXQZBMQIIDQV-SNVBAGLBSA-N 385.470 3.772 0 40 GHAB Cc1nc2cc(NC(=O)COc3cccc(NC(=O)c4ccco4)c3)ccc2o1 32817963 MMOHEXURGAWRRP-UHFFFAOYSA-N 391.383 3.999 0 40 GHAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 32841858 CHNRKOVVQFCYTR-RBBJEVKSSA-N 384.451 3.572 0 40 GHAB O=S(=O)(CCN1CC=C(c2ccc(O)cc2)CC1)c1ccc(Cl)cc1 32851110 WRSGHVFNRHNGTC-UHFFFAOYSA-N 377.893 3.609 0 40 GHAB O=c1nc(CN(Cc2ccccc2)C[C@H](O)c2ccccc2)[nH]c2ccsc12 32873637 AKHZPZSHERDSGS-IBGZPJMESA-N 391.496 3.720 0 40 GHAB CCOc1ccc(C(C)=O)cc1CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 32899877 OCVSVWFYDFSSMF-CQSZACIVSA-N 375.490 3.542 0 40 GHAB O=S(=O)(c1ccccc1Cl)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 36520569 NWJTWCYGIBQBJW-UHFFFAOYSA-N 394.968 3.615 0 40 GHAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)c1cc(C)sc1C 40080888 IDCRRDJOOZOSAT-WFASDCNBSA-N 380.535 3.687 0 40 GHAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc2c(c1)OCCCO2 43492873 YPTRAOGEASSBKT-MRXNPFEDSA-N 384.432 3.542 0 40 GHAB CC(C)c1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)nn1C(C)(C)C 44414289 NPQWYPWYROCFOP-UHFFFAOYSA-N 379.508 3.920 0 40 GHAB NC(=O)CN(Cc1ccc(Br)cc1)Cc1nc2ccccc2s1 48272626 FOBYAXJUKNHVAF-UHFFFAOYSA-N 390.306 3.546 0 40 GHAB Cc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)[nH]2)cc1 49006612 APYUAJBAZDQXIF-UHFFFAOYSA-N 391.349 3.689 0 40 GHAB Cc1ccc(-n2nnc(C(=O)NCc3ccc(F)c(Cl)c3)c2C)cc1F 51317726 WHZWRWBRCXFSEJ-UHFFFAOYSA-N 376.794 3.746 0 40 GHAB CC(C)(C)OC(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 52926521 IPAAPLWBTHSQCL-UHFFFAOYSA-N 375.444 3.970 0 40 GHAB COc1cc(OC)c(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OC 53356779 NSPNIQYWWUKSDW-INIZCTEOSA-N 381.432 3.566 0 40 GHAB CC(C)c1ccc(OCC(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1 57332145 DAFUVZGSNBOGLR-UHFFFAOYSA-N 387.911 3.773 0 40 GHAB COc1cccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(C)c2=O)c1 57527921 OKLUXYFZETZEEU-UHFFFAOYSA-N 397.862 3.828 0 40 GHAB CCN(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 58700067 PYBZPJRXFUYWLQ-OAHLLOKOSA-N 386.879 3.893 0 40 GHAB Cc1c(NC(=O)Cc2cn(C)c3ccccc23)cccc1C(=O)N1CCCC1 60303518 XVTPQBSIWHBIHN-UHFFFAOYSA-N 375.472 3.904 0 40 GHAB COc1ccc(C(=O)N2[C@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)cc1 71980417 AUWXPVCLTREYIS-LBKMDBTOSA-N 375.465 3.553 0 40 GHAB COC(C)(C)C(=O)N1CCC[C@@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)n1 72372729 PONKONAHDIBTAT-GOSISDBHSA-N 383.496 3.629 0 40 GHAB Cc1cc(Oc2ccccc2C)nc([C@@H]2CCCN2C(=O)c2cnn(C)c2C)n1 72384053 KOSZGQDHYYMWPL-SFHVURJKSA-N 391.475 3.905 0 40 GHAB CO[C@@H](C)c1noc(CCC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)n1 79016240 RXQPSNWCNCWBKB-AWEZNQCLSA-N 382.420 3.844 0 40 GHAB CN(CC[S@@](=O)c1ccccc1)CC1CCN(C(=O)Nc2ccccc2)CC1 89346417 NWHZCAHXAPWAHK-NDEPHWFRSA-N 399.560 3.670 0 40 GHAB O=C(NCCC(=O)N1CCCCCC1)NCc1cc2cc(F)ccc2s1 89807262 MZFPPIDBUDQTDX-UHFFFAOYSA-N 377.485 3.632 0 40 GHAB O=C(c1ccc(NC2CC2)nc1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 89834938 HISYKSQYVAGOGF-IRLDBZIGSA-N 390.531 3.783 0 40 GHAB COc1ccc(CC(=O)Nc2cc(-n3ccc4ccccc43)ncn2)cc1OC 90614278 CTILMTDPJXARSC-UHFFFAOYSA-N 388.427 3.619 0 40 GHAB Cc1ccc(OC2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)nn1 96119385 IMUSCNIINYHUJY-UHFFFAOYSA-N 380.473 3.592 0 40 GHAB Cc1ccc2c(c1)-c1c(ss/c1=N/CCN1CCOCC1)C(C)(C)N2 100726402 INNCZFHRPNQVFR-CZIZESTLSA-N 375.563 3.679 0 40 GHAB COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 113875636 SUYYBVVOWXMQSO-UHFFFAOYSA-N 392.235 3.501 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(Cc2ccccc2)n1 192680932 LDSLDERZUGZYEA-UHFFFAOYSA-N 388.880 3.788 0 40 GHAB COc1ccc(CCNC(=O)NCc2ccc([C@H](O)c3ccccc3)s2)cc1 207973497 VWMQXKLRGUMMEK-OAQYLSRUSA-N 396.512 3.880 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)O)c1)c1ccccc1 217608936 WMRIYUNOURWTSC-AWEZNQCLSA-N 388.489 3.779 0 40 GHAB Cc1ccccc1CS(=O)(=O)NCc1nc(-c2ccc(C(C)C)cc2)no1 223624834 TWLWUUHMCLAFKC-UHFFFAOYSA-N 385.489 3.788 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)c2)cc1 223954810 SBQMISHGIQTRQK-RZQQEMMASA-N 384.501 3.714 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 224728772 MNJIHLOTQKFNNA-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB O=C(COc1ccc2ccccc2c1)NCC1CCN([C@H]2CCSC2)CC1 225570892 LTHNLIOLRLHTOD-FQEVSTJZSA-N 384.545 3.552 0 40 GHAB CCOC(=O)c1cc(Br)c(OCc2cccnc2)c(OCC)c1 226321501 RDRVNXPSWHRSFC-UHFFFAOYSA-N 380.238 3.999 0 40 GHAB COc1ccc(Cc2nnc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C43CC3)s2)cc1OC 247925346 PZLHFVNFXTVERU-RBSFLKMASA-N 397.500 3.687 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(Oc3ccncc3Cl)CC2)cc1C 253471420 COXATKJYOZNBLA-UHFFFAOYSA-N 380.897 3.584 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 253591081 IZGBIQDJIUXIFK-FXCLAUTBSA-N 382.529 3.708 0 40 GHAB O=C(Cc1ccccc1)N1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306128959 HPHVGVLLDWNGRN-OAQYLSRUSA-N 397.482 3.740 0 40 GHAB COc1cccc2cc(C(=O)N[C@@H](C)Cc3cc4ccccc4o3)c(=O)oc12 390828959 CLCLDUKJJVMLKL-ZDUSSCGKSA-N 377.396 3.909 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)NCc3ccc(OC(C)C)cc3)CC2=O)cc1 408708236 OSTGIERFHSAHNF-LJQANCHMSA-N 380.488 3.706 0 40 GHAB COc1cnccc1[C@H](C)NC(=O)N1[C@H]2CC[C@H]1c1cnc(C(C)(C)C)nc1C2 527866068 IDGZUOTZNBCQPR-DEYYWGMASA-N 395.507 3.710 0 40 GHAB O=C(Nc1ccccc1N1CCc2ccccc21)N1CC[C@H]2CC[C@@H](C1)[S@]2=O 528910407 XEVNSOJCQMGYBA-YAHRNXAISA-N 395.528 3.898 0 40 GHAB CC(C)c1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cnn1-c1ccccc1 529083879 WHTGRLLYWYDEGE-VCCADOKLSA-N 386.521 3.513 0 40 GHAB O=C(Nc1cccc(-c2ccc(F)c(F)c2)c1)N1CCC(n2cnnc2O)CC1 564417940 PYXDUFCUWMPZFH-UHFFFAOYSA-N 399.401 3.798 0 40 GHAB O=C(NCc1nccnc1-c1cccs1)c1cc(-c2ccc(F)cc2)[nH]n1 575620074 JWCANSFJPLWJGJ-UHFFFAOYSA-N 379.420 3.664 0 40 GHAB c1cn(CCCN=c2ccc(-c3ccc(OC[C@@H]4CCCCO4)cc3)c[nH]2)cn1 629706623 MJUNFDRFIYOYMQ-QFIPXVFZSA-N 392.503 3.817 0 40 GHAB COc1cnccc1[C@H](C)NC(=O)N1CCC(c2ccc3cccnc3n2)CC1 654539638 OZCMVLXETVWCDL-HNNXBMFYSA-N 391.475 3.684 0 40 GHAB CCN1CCC(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)CC1 1615130720 ZISJFDSNDRWTOD-QHCPKHFHSA-N 387.543 3.908 0 40 GHAB CO[C@H](CC(C)C)C(=O)N(C)CCN(C)C(=O)CCCc1cc(C)ccc1C 1615612448 YNGGLAGRJILYMP-OAQYLSRUSA-N 390.568 3.604 0 40 GHAB Cc1nc(C)c(CN2CCN(c3ncnc(-c4ccccc4)c3F)CC2)s1 1775972695 RHZKMGVYKATRTG-UHFFFAOYSA-N 383.496 3.678 0 40 GHAB O=C1N[C@@H](c2ccccc2)[C@H](O)C[C@@]12CCCN(Cc1cc3ccccc3o1)C2 2037873411 IOQNUPGMNYGXSN-JCTONOIOSA-N 390.483 3.637 0 40 GHAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)N1CCC[C@H](C)C1 904872 UGSUWFZPGZLQJF-INIZCTEOSA-N 388.537 3.536 0 40 GHAB CCOC(=O)N1CCN(C(=O)c2cccnc2Sc2ccc(C)c(C)c2)CC1 22506530 ZOJFQAVYJGBDHQ-UHFFFAOYSA-N 399.516 3.764 0 40 GHAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(Cc2ccco2)CC1 22930663 GRBCSPXXIJYMDJ-CYBMUJFWSA-N 382.291 3.731 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2C)c1 894654 NDEKVLRJOFZYLH-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)Nc3ccccc3)cc2c1 4231338 HYQJPAOOYRPILU-UHFFFAOYSA-N 392.503 3.822 0 40 GHAB CCc1cc2cc3c(cc2nc1SCC(=O)NCc1ccccc1)OCCO3 4849580 UQPFCEYCUHKGBD-UHFFFAOYSA-N 394.496 3.977 0 40 GHAB O=C(CNC(=O)c1cc2c(nc3sccn32)s1)Nc1ccc(Cl)cc1 54191818 MPUNHOHQKYNJDF-UHFFFAOYSA-N 390.877 3.632 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3OC)n2)cc1 4933065 BXRXDLBHYDUKAT-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB COc1ccccc1-c1nnc2ccc(Oc3cccc(NC(C)=O)c3)nn12 12409301 SWDZSIMREVDKKW-UHFFFAOYSA-N 375.388 3.551 0 40 GHAB CCc1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 6082939 INYXHLZBNCBGGJ-UHFFFAOYSA-N 381.501 3.997 0 40 GHAB CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 6368609 FUOLANYHUZKSIE-UHFFFAOYSA-N 380.897 3.931 0 40 GHAB COc1cc(NC(=S)NC(=O)c2ccccc2C)ccc1NC(=O)C(C)C 6547544 KLIKQCNGVKRVAO-UHFFFAOYSA-N 385.489 3.725 0 40 GHAB CCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1cccc(C)c1 6629631 WHSKKLXWYRCUHC-UHFFFAOYSA-N 394.544 3.979 0 40 GHAB COc1ccc(CC(=O)OCc2ccc(-n3nc(C)cc3C)cc2)cc1OC 6847548 IEICNDQVODEGJT-UHFFFAOYSA-N 380.444 3.792 0 40 GHAB COC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 6857903 GMTDYHMQSBVNRI-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB COC(=O)c1sc2nc(CN(C)[C@H]3CCCc4ccccc43)[nH]c(=O)c2c1C 7327932 VEYLLISGSPRLRO-HNNXBMFYSA-N 397.500 3.589 0 40 GHAB C/C=C/C(=O)OCC(=O)Nc1c(Br)cc(C)cc1Br 7735641 AZRPWOINQHAYNK-ONEGZZNKSA-N 391.059 3.578 0 40 GHAB O=C(CCc1ccccc1Cl)Nc1ccccc1C(=O)NC[C@H]1CCCO1 10457980 UUUSITZGWTZPAA-MRXNPFEDSA-N 386.879 3.820 0 40 GHAB Fc1cc2ncn(Cc3cc4c(cc3Br)OCCO4)c2cc1F 24427629 HFPOPIUYOJCFQJ-UHFFFAOYSA-N 381.176 3.897 0 40 GHAB COCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cc(C)ccc2C)n1 8476732 GYZDVDXHIAQGDD-UHFFFAOYSA-N 384.867 3.581 0 40 GHAB CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810326 ZRHAZBJMBQQACA-UHFFFAOYSA-N 384.860 3.810 0 40 GHAB CCOC(=O)C1=C(CNc2ccccc2CC)NC(=O)N[C@H]1c1cccs1 24992443 GEYAFHVJANUEMR-SFHVURJKSA-N 385.489 3.594 0 40 GHAB COC(=O)c1cccc(O[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c1 1446583 LWXWVENPPYOJQH-AWEZNQCLSA-N 392.622 3.571 0 40 GHAB Cc1ccc(Cl)c(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c1Cl 57363941 SUNXEAXPULORHU-UHFFFAOYSA-N 394.302 3.768 0 40 GHAB O=C(/N=c1\sccn1Cc1ccccc1F)c1cncc(Br)c1 26385431 OAQXMEKRZWWIFJ-SILNSSARSA-N 392.253 3.636 0 40 GHAB COc1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)cc1OC 1924285 YWZZEWKMNNJUFG-UHFFFAOYSA-N 394.456 3.631 0 40 GHAB NC(=O)COc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1 44699000 XWCSLFGYLCGXEZ-UHFFFAOYSA-N 378.453 3.630 0 40 GHAB O=C1NCCCC[C@@H]1Sc1nnc(COc2ccccc2Cl)n1C1CC1 48265678 NSCGZJGXBLDKPG-HNNXBMFYSA-N 392.912 3.606 0 40 GHAB Cc1cc(CN(C)C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)no1 48278176 PUYXYAQCMFQKQX-UHFFFAOYSA-N 395.415 3.955 0 40 GHAB CN1CCN(C(=O)/C=C/c2ccccc2Br)[C@H](c2ccccc2)C1 12737746 MJUOKZOJTCXIAN-CVTTXWKISA-N 385.305 3.978 0 40 GHAB Cc1ccccc1CCNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 58377726 KBIQKKRWIYOJAL-UHFFFAOYSA-N 381.426 3.920 0 40 GHAB Cc1cc(O[C@H](C)C(=O)NCC2(N3CCOCC3)CCCCC2)ccc1Cl 27992491 LETNZFLEMRHWAW-QGZVFWFLSA-N 394.943 3.567 0 40 GHAB C[C@@H](Cn1cc(Cl)cn1)C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 28229483 ZNJVDLORXXACSI-LBPRGKRZSA-N 378.263 3.710 0 40 GHAB CCn1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3C)c3c(C)noc3n2)n1 36617968 BQIHCWMYSLFQQR-UHFFFAOYSA-N 391.431 3.984 0 40 GHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccc(F)cc3)N2C1=O 2487199 UKWVHLXSOSFSRZ-HOCLYGCPSA-N 376.453 3.816 0 40 GHAB C[C@@H](NC(=O)NCCOc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 28996885 XGVYUWLGYYUMNT-CQSZACIVSA-N 385.439 3.613 0 40 GHAB Cc1sc2nc(COC(=O)CCc3c[nH]c4ccccc34)[nH]c(=O)c2c1C 2636690 YRDHQNUXMWBYCS-UHFFFAOYSA-N 381.457 3.759 0 40 GHAB CC(C)C(=O)N1CCC[C@@H](C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)C1 37176215 ZVYGBVIXZIUFNX-VQIMIIECSA-N 388.508 3.987 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3s2)c1 3517006 GTZHQKOSZBSLBM-UHFFFAOYSA-N 389.502 3.579 0 40 GHAB Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 12907225 KIZUDYVKYAWKHQ-UHFFFAOYSA-N 398.528 3.523 0 40 GHAB CCCOc1ccc2c(c1)sc1ncc(NC(=O)c3ccccc3)c(=O)n12 9029144 LFWGPQGCCOPRCX-UHFFFAOYSA-N 379.441 3.950 0 40 GHAB C/C(Nc1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccc(C)cc2)C(=O)N=C1O 9009536 RCKBKCZNFNPFKY-VBKFSLOCSA-N 379.372 3.502 0 40 GHAB O=C(NCc1ccco1)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 4086309 GSJZOKWURRXLTB-UNMCSNQZSA-N 397.434 3.547 0 40 GHAB biogenic Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)NCC3CCCCC3)cc2)n1 6053975 PCDHUUULKMRWIV-KRWDZBQOSA-N 383.492 3.731 0 40 GHAB CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 14245359 ZFOUDBJIUBNJTM-CQSZACIVSA-N 394.924 3.689 0 40 GHAB Cn1c(SCC(=O)Nc2ccc3cn[nH]c3c2)nnc1-c1cccc(Cl)c1 6790879 BUZSNUHEFAQQBW-UHFFFAOYSA-N 398.879 3.743 0 40 GHAB COc1cc(C[C@@H]2CC(c3cccc(Cl)c3)=NO2)c(OC)c2c1OCO2 15085892 WGSQHUXUTAFELN-CQSZACIVSA-N 375.808 3.822 0 40 GHAB COc1ccc(SCC(=O)NCc2cccc(OC(C)C)c2)cc1OC 20110218 OOVGLWXXPGBJCT-UHFFFAOYSA-N 375.490 3.900 0 40 GHAB CC(C)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)cc1 9476616 DOERQIHFVRIKNR-IBGZPJMESA-N 379.460 3.649 0 40 GHAB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)N[C@H](C)CCc1ccccc1 7057947 VMVWTADVFMEMNE-CVEARBPZSA-N 383.492 3.592 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1 16130942 KNLWLYJVWGNOEP-UHFFFAOYSA-N 388.489 3.654 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N(C)Cc2ccc(F)cc2)c1 16352121 ZZKHXHCDNKBOGX-HXUWFJFHSA-N 386.467 3.638 0 40 GHAB CCCCOc1ccc(-c2nc3s/c(=C/c4ccc(C)cc4)c(=O)n3n2)cc1 16712976 XROUJJFSGCVKFF-XMHGGMMESA-N 391.496 3.853 0 40 GHAB Cc1cn2nc(N3CCC4(CC3)C[C@@H]4c3nnc(-c4ccccc4)o3)sc2n1 71889468 ULBYCITWGDZLNQ-OAHLLOKOSA-N 392.488 3.923 0 40 GHAB Cc1sc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)nc1-c1ccccc1 8342857 BDDUKOLZBKROAB-OAHLLOKOSA-N 381.457 3.699 0 40 GHAB CC(=O)c1ccccc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 8310452 STIYAMVSOFRJTN-FQEVSTJZSA-N 394.471 3.826 0 40 GHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCc2sccc2[C@@H]1c1cccs1 18167958 GJIDXFIGYOKGMM-QWQRMKEZSA-N 384.526 3.666 0 40 GHAB O=C(NCCCN1c2ccccc2Sc2ccccc21)N1CCC[C@H](O)C1 84582926 QBVPZTIVINZVFZ-INIZCTEOSA-N 383.517 3.846 0 40 GHAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 409008200 WJNRGKMZZJGVNQ-AQTBWJFISA-N 397.452 3.517 0 40 GHAB CC(C)Cn1ccnc(N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c1=O 95467529 PYNNKSXTNLFDLQ-UHFFFAOYSA-N 395.334 3.923 0 40 GHAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 95975758 KVENKNMGBSUUPT-HTAPYJJXSA-N 388.467 3.767 0 40 GHAB CN1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC1 22795597 UUXQKTNUACQTIH-UHFFFAOYSA-N 375.925 3.677 0 40 GHAB CCOc1cc2c(cc1CN(Cc1cccnc1)C[C@@H]1CCCN1CC)OCO2 22931843 AMYOEPRPWOAHSV-FQEVSTJZSA-N 397.519 3.696 0 40 GHAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCCCCc1ccccc1 32854785 XJEJHGPEFRGCCX-UHFFFAOYSA-N 379.287 3.862 0 40 GHAB Cc1cc(C)cc(OCc2nnc(SCC(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)o2)c1 216033979 SWZREEUKDUCTED-INMHGKMJSA-N 387.505 3.662 0 40 GHAB CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)c3ccccn3)n2)s1 72375218 AILRJZROVYWZCA-OAHLLOKOSA-N 380.477 3.611 0 40 GHAB COc1cccc2cc(C(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)oc12 70639998 AWOLOZYOOKXSMN-CQSZACIVSA-N 379.334 3.924 0 40 GHAB O=C(Cc1ccccn1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72358853 DRWVBYIABJYOHI-KRWDZBQOSA-N 376.435 3.626 0 40 GHAB COc1cc(C(=O)NCCCN(C)c2ccccc2F)ccc1OC(F)F 48275288 ZNHMXQXRVFZZBH-UHFFFAOYSA-N 382.382 3.692 0 40 GHAB CCn1ccnc1CN1CCC[C@H](c2nccnc2Oc2cccnc2C)C1 72384463 YSKWCDCCVGOCOP-KRWDZBQOSA-N 378.480 3.568 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2cccnc2)c1C 222772567 JALJVLQGQOFYLW-LEWJYISDSA-N 391.544 3.936 0 40 GHAB Cc1nccn1-c1ccc(CNC(=O)Cc2cccc(Br)c2)cc1 225617708 COONORIBTKTMOL-UHFFFAOYSA-N 384.277 3.802 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)CCc1c(Cl)cccc1Cl 225353032 BHYLUHHBEFDOGX-UHFFFAOYSA-N 395.286 3.941 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1 224268036 UIQVWOAUWKGNMG-IBGZPJMESA-N 388.895 3.662 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 224767623 PKTWZGJDTHQHIP-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)c1 224845719 VPEBDSPYJFFXLX-UXHICEINSA-N 394.500 3.614 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 222584913 JSGMXYMEZKHVFU-QGZVFWFLSA-N 386.517 3.724 0 40 GHAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224147732 BIGWMQIBAOEUOA-INIZCTEOSA-N 386.533 3.705 0 40 GHAB CCCCc1ccc(C[C@@H](C(=O)O)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 225166635 YLYWOCCWQDMGNM-IBGZPJMESA-N 393.480 3.630 0 40 GHAB Cc1ccccc1OCC(=O)Nc1nn2c(-c3cccc(Cl)c3)nnc2s1 41076555 OOBKWHSUMUOHNA-UHFFFAOYSA-N 399.863 3.832 0 40 GHAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC)cc1 222576234 XDADQLOGSVQUHW-INIZCTEOSA-N 386.923 3.998 0 40 GHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 225734468 ZBZNHGJMXZRRQA-QFIPXVFZSA-N 392.540 3.568 0 40 GHAB CCOc1ccc(-c2noc(CNC(=S)Nc3ccc(F)cc3F)n2)cc1 225831566 JNKVRZIKBAZMOE-UHFFFAOYSA-N 390.415 3.900 0 40 GHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 222842492 VAOSBYCURMFCPS-WOJBJXKFSA-N 378.501 3.959 0 40 GHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCCN(Cc2cccnc2)C1 257213415 CHMLQTFARCWCFM-INIZCTEOSA-N 380.517 3.773 0 40 GHAB C[C@@]12C[C@H]3[C@H](Cc4ccccc4)N[C@@H]1CCCC[C@@H]2N3C(=O)c1cccnc1 257243566 IHONGTUXSBSFLV-QMDPOKHVSA-N 375.516 3.828 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)ncn1 257227931 FRPBIKWJKSFKOI-KRWDZBQOSA-N 394.450 3.521 0 40 GHAB COc1ccc(S(=O)(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1 260743251 OKMNJNANPIWLAH-LLVKDONJSA-N 382.279 3.598 0 40 GHAB CC1(C)C[C@]2(NC(=O)N(Cc3c(Cl)oc4ccccc34)C2=O)C(C)(C)O1 622019044 JUKDRCPIIHUOGQ-LJQANCHMSA-N 376.840 3.854 0 40 GHAB Cc1noc(C)c1CN1CC[C@@]12CCCN(C(=O)c1nccc3ccccc13)C2 585101788 GMXQFWOFZOWQAP-HSZRJFAPSA-N 390.487 3.720 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 585148761 DNFOJWKUKSZOPL-IRXDYDNUSA-N 392.908 3.639 0 40 GHAB Cc1cc(NC(=O)N2CC[C@]3(c4ccccc4)[C@@H](C2)C3(F)F)cc(C(N)=O)c1 585101657 GYGFKLKSZSQQAF-XLIONFOSSA-N 385.414 3.535 0 40 GHAB FC(F)(F)c1cc(Cl)c2nnc(SCCN3CCSCC3)n2c1 79058295 YACCFRDFXFNYJV-UHFFFAOYSA-N 382.864 3.542 0 40 GHAB Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1CNC(=O)C(F)(F)F 5246353 ODEZBWXUGZUILR-UHFFFAOYSA-N 399.376 3.740 0 40 GHAB Cc1ccc(C2=NN(C(=O)CSc3nccn3C)[C@H](c3ccco3)C2)cc1 5359456 OYAQZOVDKWXGJL-KRWDZBQOSA-N 380.473 3.792 0 40 GHAB Cc1cccc(C(C)(C)C)c1NC(=O)C[C@@H]1C(=O)Nc2ccccc2[S@]1=O 5811851 NGHGZADNERPURJ-CRYYWNKWSA-N 384.501 3.750 0 40 GHAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCCCCCC2)Nc2ccccc21 12142539 POMZJZODTPGLOA-MOOKXKAQSA-N 381.520 3.767 0 40 GHAB O=C(NC1CCN(C[C@H](c2ccccc2)C2CCCC2)CC1)C1CCOCC1 12188814 RJLWHKCUXHRJAD-HSZRJFAPSA-N 384.564 3.968 0 40 GHAB COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(C)c(C)c3)CC1)C[C@@H]2O 12293502 ODYPCQLMKNRRSJ-VXKWHMMOSA-N 397.515 3.696 0 40 GHAB O=C(CCSCCN1C(=O)c2ccccc2C1=O)Nc1cccc(Cl)c1 12977926 ABCZEPFWPLZVRG-UHFFFAOYSA-N 388.876 3.698 0 40 GHAB Cc1nc(NC(=O)CSc2nc3ccccc3s2)nc2c1C(=O)CCC2 13635895 VNRLMUHUCCBECL-UHFFFAOYSA-N 384.486 3.645 0 40 GHAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(=O)n(Cc2ccccc2)n1 15303686 OLYBGLSRLMBYSL-UHFFFAOYSA-N 388.254 3.528 0 40 GHAB CC(C)CC(=O)N1CC[C@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 19446218 VXXKZOBDDPOPRZ-XMMPIXPASA-N 393.531 3.644 0 40 GHAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)CO2 19562366 AVZYMMMTVQSLOO-UZLBHIALSA-N 397.471 3.627 0 40 GHAB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1NC(=O)c1ccccc1 8334559 FATLOLMTGHULBM-FYJGNVAPSA-N 377.404 3.843 0 40 GHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)o1 6478387 XDHYARAPRATGEG-VGOFMYFVSA-N 378.356 3.541 0 40 GHAB COc1cc(C)c(CN2CC[C@H](c3cc4nc(C)c(C)c(O)n4n3)C2)cc1C 12255348 XAUUDIWJCZNRSG-KRWDZBQOSA-N 380.492 3.667 0 40 GHAB CC[C@H](CNC(=O)N1C[C@H](C)[C@@](C)(CO)C1)Cc1cccc(Br)c1 664171837 CAIUKGYYPRMAFM-YZVOILCLSA-N 397.357 3.678 0 40 GHAB COc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1cccc(C)c1)CN2C(C)=O 19235229 QBYXJXCLVVIIFW-VABKMULXSA-N 378.516 3.840 0 40 GHAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)N1CCc2ccccc21 3544928 YKAKRSMMXGTXCB-CYBMUJFWSA-N 382.464 3.691 0 40 GHAB CCOc1ccc(C(=O)N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)cn1 1889223392 VMTMMMJHLKPEPH-UHFFFAOYSA-N 378.476 3.825 0 40 GHAB COC(=O)[C@]1(C(F)(F)F)N=C2C(C)=CC=CN2C(c2cccc(Cl)c2)=N1 2050486 JQEQEMGVMKRXNT-INIZCTEOSA-N 383.757 3.706 0 40 GHAB CC[C@@H](C(=O)N(c1ccc(OC)cc1)[C@H]1C=CS(=O)(=O)C1)c1ccccc1 4165487 KCOITLUUOBCUGR-AZUAARDMSA-N 385.485 3.533 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(Cc2ccc(OC(C)C)cc2)c2ccc(Cl)cc21 4988061 HGAZFMCPZSQDSV-NRFANRHFSA-N 387.863 3.841 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)C(C)C 5099681 XCTLWOYGPDDHBJ-UHFFFAOYSA-N 390.480 3.870 0 40 GHAB O=C(Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1)NCc1cccs1 13716623 SSYAKTZUGSRQGL-UHFFFAOYSA-N 382.460 3.927 0 40 GHAB COc1ccc2cc(C(=O)NC[C@H]3CCCN3c3nc4ccccc4o3)[nH]c2c1 206775811 CINXCKCAWCHWTQ-OAHLLOKOSA-N 390.443 3.717 0 40 GHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2Cl)NC(=S)N1 8767112 HPWGAHGBAJRVOM-INIZCTEOSA-N 375.856 3.911 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 19211411 RECGWRHBPKKGOB-CQSZACIVSA-N 389.502 3.675 0 40 GHAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCO[C@@H](C)C2)cc1 40024227 UMRZWHNQINWBSD-SFHVURJKSA-N 375.472 3.768 0 40 GHAB Cc1cc(C)n2nc(CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)nc2n1 40134261 SAJODSLDNWWCJV-NRFANRHFSA-N 377.492 3.721 0 40 GHAB COc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(c3ccccn3)C2)cc1OC 40151843 IOGNIZKOKBEVBK-IRXDYDNUSA-N 383.492 3.501 0 40 GHAB Cc1ccc(-n2c(-c3ccccc3C)nn(CN3CCOCC3)c2=S)cc1 32699227 PMWCLEYEVWCLAY-UHFFFAOYSA-N 380.517 3.977 0 40 GHAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)cc1Cl 21641473 OBUGIFWXJSXYIW-GOSISDBHSA-N 379.287 3.797 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1ccccc1CN1CCCC1 32914268 RZXPIXUHNSBBFB-UHFFFAOYSA-N 375.472 3.571 0 40 GHAB Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(Cl)c(Cl)c1 644690 UIZOHBRVWPGASG-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB COc1cccc(C(=O)CSc2nnc(-c3ccc(OC)cc3OC)o2)c1 929455 DKFFFPSSUUGKII-UHFFFAOYSA-N 386.429 3.737 0 40 GHAB COc1ccc(CCN(C)c2ncnc3c2[nH]c2ccc(F)cc23)cc1OC 2225048 WUAQMPCBMIBHTH-UHFFFAOYSA-N 380.423 3.946 0 40 GHAB O=C(/C=C/c1ccccc1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 2265448 ZEJQHLCXHQSYPY-JBVUFVISSA-N 389.904 3.569 0 40 GHAB Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CO[C@H](C(C)C)C4 2268617 MCTHBRMCWCIAPK-HNNXBMFYSA-N 380.473 3.501 0 40 GHAB COc1ccc(CCCn2cnc3c([nH]c4ccc(F)cc43)c2=O)cc1OC 2312080 FCARMVXXUKZHBW-UHFFFAOYSA-N 381.407 3.667 0 40 GHAB Cc1ccc2c(c1)c1ncnc(N3CCN(c4ccccc4F)CC3)c1n2C 2327867 DRHXOSMYWMKXNU-UHFFFAOYSA-N 375.451 3.896 0 40 GHAB O=C(COC(=O)c1ccc2ncsc2c1)Nc1ncc(Cl)cc1Cl 2627054 XQNPIDJLKFMCLB-UHFFFAOYSA-N 382.228 3.794 0 40 GHAB C[C@@H](Sc1nnc(C2CCCCC2)n1N)C(=O)NCCC1=CCCCC1 2640086 JWGXIPZKYOZPQD-CQSZACIVSA-N 377.558 3.527 0 40 GHAB CCc1cccc2c(C(=O)COC(=O)[C@@H](NC(=O)c3ccco3)C(C)C)c[nH]c12 2640266 NYUKKAQZIAUJMZ-IBGZPJMESA-N 396.443 3.504 0 40 GHAB Cc1ccc(OCn2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)n2)c(C)c1 2795315 XVANUJCCKKYRHC-UHFFFAOYSA-N 384.524 3.575 0 40 GHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2c(c1)OCO2 3249770 FJFDBBADOQEDSA-UHFFFAOYSA-N 376.416 3.653 0 40 GHAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 3492853 SVOOOPWLSADINH-KRWDZBQOSA-N 399.907 3.602 0 40 GHAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1ccccc1F 4106052 UPCXCQRWEFBETN-AREMUKBSSA-N 389.839 3.679 0 40 GHAB Cc1ccc(-c2nnc3ccc(SCC(=O)Nc4cccc(F)c4)nn23)cc1 4164719 GNRXUUWNNLINPX-UHFFFAOYSA-N 393.447 3.970 0 40 GHAB COc1ccc(-c2nnc3sc(-c4cc(OC)c(OC)c(OC)c4)nn23)cc1 4511690 LEAYLJAKULNRGA-UHFFFAOYSA-N 398.444 3.554 0 40 GHAB COc1ccc(-c2nnc(S[C@H]3CCOC3=O)n2CCc2ccccc2)cc1 4549535 NABIAXYBOVQPQE-SFHVURJKSA-N 395.484 3.604 0 40 GHAB Cc1cc2c(cc(C(=O)O[C@H](C(=O)NC(C)(C)C)c3ccncc3)n2C)s1 4924349 HFAOMTDAMLMINI-KRWDZBQOSA-N 385.489 3.756 0 40 GHAB COCCNC(=O)CSc1nc(-c2ccc(F)cc2)[nH]c1-c1ccccc1 4927757 ZXIYGWWSJMSQEI-UHFFFAOYSA-N 385.464 3.738 0 40 GHAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(C)ccc3OC)c2)nn1 5204271 XIQMESOUCNCPHY-UHFFFAOYSA-N 399.472 3.660 0 40 GHAB Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2ccc(Cl)cc2)N(CCO)C3=O)c1 5343999 UAXBLWKRQWLCIL-IBGZPJMESA-N 397.862 3.590 0 40 GHAB COc1ccc2[nH]c(C(=O)NC3CCN(Cc4ccccc4)CC3)c(C)c2c1 5345869 BBJZCFABFBLSIL-UHFFFAOYSA-N 377.488 3.879 0 40 GHAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc3n2CCCCC3)c1C 6097507 HCDIRLNCJIUHTB-CQSZACIVSA-N 376.526 3.605 0 40 GHAB COc1cccc(CNC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 6549507 XAZVKJQDEIUNDX-UHFFFAOYSA-N 394.500 3.562 0 40 GHAB O=C(CSc1nccn(-c2cccc(Cl)c2)c1=O)Nc1ccccc1F 6915385 WINQYRHTWUQJDQ-UHFFFAOYSA-N 389.839 3.756 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 7218469 TXBQLZQBDVCCDP-UHFFFAOYSA-N 390.288 3.831 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(O)c3ccccc3c2O)cc1F 7259691 ZKEKVYJJSZQUMS-LBPRGKRZSA-N 383.375 3.883 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N(C)Cc1ccccc1Cl 7918122 LPGBYZARRGVQAT-MRXNPFEDSA-N 387.911 3.532 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnnn1C1CC1)c1ccccc1 8230984 FGTXVDKNPGMUFK-SFHVURJKSA-N 395.488 3.797 0 40 GHAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc2nccnc2c1 8395580 AOLBDLNGWBZHJD-UHFFFAOYSA-N 386.249 3.673 0 40 GHAB O=C(COC(=O)CCC(=O)Nc1ccccc1Cl)Nc1cccc(Cl)c1 8413761 VVAZOPXXXYBDBP-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)c1 8413826 NTIQUFPMGRIVRM-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C[C@]1(O)[C@@H]3C 8618881 PPWXHEFVBQBHDR-CQHUQBIDSA-N 392.536 3.863 0 40 GHAB Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccccc1)S2 9237511 RIDKQKXGHPVUBP-HZPDHXFCSA-N 385.880 3.638 0 40 GHAB CCC(=O)Oc1cccc2cc(-c3nc(-c4ccc(F)cc4)no3)c(=O)oc12 9431186 BWIHQQFIJQXIMJ-UHFFFAOYSA-N 380.331 3.965 0 40 GHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1nc(-c2ccccn2)cs1 9658263 JKXXBJIHKMLVRR-UHFFFAOYSA-N 387.848 3.811 0 40 GHAB O=C1CC[C@]2(C(=O)OCCOc3cccc(Cl)c3)Sc3ccccc3N12 9737585 JCRIVRFVLMIQTO-LJQANCHMSA-N 389.860 3.891 0 40 GHAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(F)cc1)S(C)(=O)=O 10370397 OBJAYUXPLBPQMS-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB Cc1cnc(C(=O)O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cn1 11480975 XFNDAJJYJGAIHF-GOSISDBHSA-N 389.455 3.559 0 40 GHAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(=O)n(Cc2cccc(F)c2)n1 11781444 IJEYQBOOHYJISX-UHFFFAOYSA-N 392.217 3.990 0 40 GHAB COc1ccc([C@@H]2CN(Cc3ccc(OC)cc3OC)C[C@H]2c2cc[nH]n2)cc1 12128519 HQLQGIKCZLASSN-LEWJYISDSA-N 393.487 3.819 0 40 GHAB Cc1cccc(C)c1NC(=S)NC(=O)CCC(=O)OCCc1ccccc1 12137257 JOAJYPHFJCXUCR-UHFFFAOYSA-N 384.501 3.683 0 40 GHAB COc1cc(C)c(CN2CC[C@@H](c3cc4nc(C)c(C)c(O)n4n3)C2)cc1C 12255346 XAUUDIWJCZNRSG-QGZVFWFLSA-N 380.492 3.667 0 40 GHAB C[C@H](NC(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1 12440984 RYWHOMKKWXGZNN-INIZCTEOSA-N 379.435 3.707 0 40 GHAB O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCN(Cc2ccncc2)CC1 12515087 FTFROHNRZWRGPN-UHFFFAOYSA-N 391.446 3.971 0 40 GHAB O=S(=O)(Nc1ccc(-n2cncn2)nc1)c1ccc(C2CCCCC2)cc1 12521170 MWDOQAOTPTWZQU-UHFFFAOYSA-N 383.477 3.511 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1cccc(Br)c1)c1cccc(F)c1 12604326 DEURJKMMPSSFNZ-INIZCTEOSA-N 388.240 3.841 0 40 GHAB CC(=O)c1ccc(N2CCN(Cc3cc(Cl)c4c(c3)OCO4)CC2)c(F)c1 12642131 RQYGXJCSDFNLFL-UHFFFAOYSA-N 390.842 3.733 0 40 GHAB C[C@@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1cc2ccccc2o1 12788523 DGEZZTNYKVKBPC-LLVKDONJSA-N 377.849 3.981 0 40 GHAB CN(C)C(=O)[C@@H](c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12796790 ZOGQRYBPPPOCRC-DENIHFKCSA-N 380.488 3.814 0 40 GHAB O=C(NCCc1nc2ccccc2[nH]1)c1cc(Br)ccc1Cl 12813233 BONSHMHHTFNICD-UHFFFAOYSA-N 378.657 3.951 0 40 GHAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc(S(=O)(=O)C(F)F)cc1 12814133 LTOBYXBWZFAHCT-VXGBXAGGSA-N 385.354 3.534 0 40 GHAB CCCCNC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 12901230 HRHBRMVWRHJCLW-UHFFFAOYSA-N 387.476 3.672 0 40 GHAB biogenic Cc1c(Cl)cccc1-n1c(SCC(=O)N2CCC2)nc2ccccc2c1=O 12914873 QJCBGHZXEMAWTJ-UHFFFAOYSA-N 399.903 3.672 0 40 GHAB CCCCN(CC)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 12917884 SXVHDOYKOVDZGM-UHFFFAOYSA-N 393.578 3.745 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 12983035 SQFXQFRCDDORPM-UHFFFAOYSA-N 399.397 3.650 0 40 GHAB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@@H](c1cccc(Cl)c1)N1CSC[C@@H]21 13395507 KRCZASBHGOCUQV-BSDSXHPESA-N 384.888 3.575 0 40 GHAB COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](c1cccs1)C3 13610843 UXDDDUHLQOCXDV-AWEZNQCLSA-N 390.468 3.912 0 40 GHAB CC[C@H](C(=O)Nc1cccc(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714105 XJZLRBUENITHAU-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB COc1cc2oc(=O)c(CC(=O)Nc3ccc4[nH]ccc4c3)c(C)c2cc1OC 13733862 FGXGXFIKHQGJTL-UHFFFAOYSA-N 392.411 3.781 0 40 GHAB O=C1C[C@H](C(=O)NCCCSc2ccc(F)cc2)c2ccc(F)cc2N1 14079653 ISPUNWGYAJGTRZ-INIZCTEOSA-N 376.428 3.689 0 40 GHAB Cc1ccc(CN(C)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)o1 14129174 IZBLXYIGOBHDLX-UHFFFAOYSA-N 388.518 3.994 0 40 GHAB CCCCOc1ccc(C(=O)NCC(=O)N[C@H]2CCSc3ccccc32)cc1 14201497 WLFJIJQECRKAPV-IBGZPJMESA-N 398.528 3.949 0 40 GHAB C[C@@H](C(=O)NCCSc1ccc(Cl)cc1)n1c(=O)oc2ccccc21 14310076 CBWLXERGUWKIAO-LBPRGKRZSA-N 376.865 3.717 0 40 GHAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 17361052 IYTDHQFVBBJMFB-UHFFFAOYSA-N 380.444 3.591 0 40 GHAB COc1ccc(CC(=O)N(C)Cc2cc(Br)ccc2OC)cc1 17957633 GNFZUAQAOYWODX-UHFFFAOYSA-N 378.266 3.667 0 40 GHAB C[C@H]1CCCCN1C(=O)C1CCC2(CC1)CNC(=O)c1cc(Cl)ccc1O2 19496257 WNIRFYNAOFJUCA-VEBLATHCSA-N 390.911 3.792 0 40 GHAB Cc1nn(CC(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCCN3C)c(C)c1C 19556504 ZPNMRCOYHNLVDJ-CQOQZXRMSA-N 394.563 3.677 0 40 GHAB CCCOc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccccc2C)CC1 19909534 ABAAWMWDMIAOPK-UHFFFAOYSA-N 388.533 3.603 0 40 GHAB CC[C@@H](C(=O)N(C)C1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 20111890 SKRJMGWSHCZWFA-KRWDZBQOSA-N 386.945 3.676 0 40 GHAB O=c1c([C@@H]2NCCc3ccccc32)c(O)[nH]c(=S)n1CCC1=CCCCC1 20149655 LWDWSQAXOLKUTE-GOSISDBHSA-N 383.517 3.737 0 40 GHAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1ccccc1Br 20151751 PTDLGNCBORRHAK-UHFFFAOYSA-N 393.262 3.583 0 40 GHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ncccc3O)cc12 22262014 NMPYYGCQJSACHB-UHFFFAOYSA-N 382.420 3.947 0 40 GHAB COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1Cl 22511937 UVFOBGPYVVKFLS-UHFFFAOYSA-N 389.260 3.626 0 40 GHAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCc2sccc2C1 22597364 PRNMIBBPKAHGOL-GFCCVEGCSA-N 378.494 3.532 0 40 GHAB Cc1nc(COc2ccccc2C(=O)NCc2ccc(C(F)(F)F)cc2)no1 23700926 POPIHOOKPIYHHM-UHFFFAOYSA-N 391.349 3.906 0 40 GHAB O=C(/C=C/c1ccc(-c2ccccc2F)o1)N1CCN(Cc2ccncc2)CC1 23845090 WAPJDNOYCQQBLC-SOFGYWHQSA-N 391.446 3.838 0 40 GHAB CC(=O)Nc1sc2c(c1C(=O)OCc1nc(C(C)(C)C)no1)CCCC2 24045206 DLEZHGAXKYWMLA-UHFFFAOYSA-N 377.466 3.623 0 40 GHAB O=S(=O)(c1ccc(F)cc1F)N1CCC[C@H](c2nc3ccccc3o2)C1 24683607 HUNWVBAAVSIUEC-LBPRGKRZSA-N 378.400 3.674 0 40 GHAB C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@@H]3c3ccncc3)cc2)C[C@@H](C)O1 25094410 UNUIJOJNELQMBK-JBYIUTFZSA-N 379.504 3.668 0 40 GHAB O=C(NC1CCN(Cn2c(=S)oc3ccccc32)CC1)c1ccc(F)cc1 26649200 QACZSLHSZMEGNH-UHFFFAOYSA-N 385.464 3.955 0 40 GHAB COc1ccc(CCNC(=O)c2occc2COc2ccccc2)cc1OC 26676523 AGHBMLUVFPZQLW-UHFFFAOYSA-N 381.428 3.848 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)c(C)c1 28189637 GJZWLAUFVMYQDL-UHFFFAOYSA-N 377.491 3.544 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c1 29488231 FQSOHQQSXKRCFU-OAQYLSRUSA-N 379.504 3.726 0 40 GHAB Cc1cc(CN2CCN(C(=O)c3ccc4[nH]c5c(c4c3)C[C@@H](C)CC5)CC2)on1 29682519 OMQDQUCGQPWCPW-HNNXBMFYSA-N 392.503 3.547 0 40 GHAB CCOc1ccc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 30498609 OZJJRHQUTIZTRS-UHFFFAOYSA-N 388.533 3.550 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nccs1)OCc1ccccc1 30813800 MKCQRJHMQXXLRD-KRWDZBQOSA-N 381.457 3.619 0 40 GHAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cc2ccccc2s1 31824870 UFWGZBVXMONKAK-UHFFFAOYSA-N 383.492 3.592 0 40 GHAB COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(-c3ccccc3OC)o1)C2 32103091 CNLIXMADCBSXCJ-KRWDZBQOSA-N 398.440 3.662 0 40 GHAB O=C(c1cccc2ccccc12)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 38727951 AULMGXWNAOLRRN-PMACEKPBSA-N 390.508 3.989 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H](c1ccco1)N1CCCCC1 40012784 PBEUSCMRGDUZLR-HXUWFJFHSA-N 386.540 3.635 0 40 GHAB Cc1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c2c(C)nn(C)c2n1 40040327 BVYLEMGZSJGQTB-UHFFFAOYSA-N 389.459 3.746 0 40 GHAB CCN1CCN(Cc2ccc(NC(=O)CSc3ccc(F)cc3)cc2)CC1 40089811 RNMRHJBDINBKDZ-UHFFFAOYSA-N 387.524 3.694 0 40 GHAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1cc(Cl)ccc1Cl 40095844 VIHLCDQUQYVSHW-UHFFFAOYSA-N 381.263 3.547 0 40 GHAB COc1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)c(OC)c1OC 44882866 YMJCBPFHECAAHJ-UHFFFAOYSA-N 398.503 3.628 0 40 GHAB COc1cc([C@@H](C)NC(=O)Nc2cc(C)on2)ccc1OCc1ccncc1 48354291 CITFMTYDPSFBBO-CQSZACIVSA-N 382.420 3.848 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cccc(SC)c2)c(-c2ccccc2)n1 57527258 VWQFGNUISDYZFO-UHFFFAOYSA-N 379.485 3.833 0 40 GHAB COC(=O)CCN(C(=O)Cc1csc(Cc2ccccc2)n1)C1CCCC1 58029375 DIXZIGIYUBLPEM-UHFFFAOYSA-N 386.517 3.611 0 40 GHAB Cc1cccc(-c2nnc(-c3ccc(C(=O)NO[C@H]4CCCCO4)cc3)o2)c1 58414395 QVVHDBXADWPWHZ-SFHVURJKSA-N 379.416 3.900 0 40 GHAB CCOC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1C 59932799 MYHPTDMBNCUMNV-CYBMUJFWSA-N 385.420 3.731 0 40 GHAB CCCCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 65610172 PRSKXBQBTYVRRO-CQSZACIVSA-N 383.330 3.597 0 40 GHAB Cc1cccc2c1N1C(=O)c3ccccc3[C@H]1n1nc(-c3ccccc3)c(=O)nc1-2 71922024 RSPUOZCUUQGYRF-HSZRJFAPSA-N 392.418 3.801 0 40 GHAB CCOc1ccccc1N1C[C@@H](C(=O)N(C)c2ccc3ccccc3n2)CC1=O 72296662 UBPJFXUJBCMIMO-KRWDZBQOSA-N 389.455 3.649 0 40 GHAB CC(C)Oc1ccc(CNC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1 72332180 BECLKKBJMMAIOW-UHFFFAOYSA-N 383.423 3.912 0 40 GHAB Cc1cccnc1Nc1cccc([C@H]2CCCN(Cc3cnn(C)c3C)C2)n1 72376036 AANMVEKZGARFOC-SFHVURJKSA-N 376.508 3.950 0 40 GHAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 72378871 DGQJLOKIKPQJBE-GOSISDBHSA-N 375.476 3.806 0 40 GHAB C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H](CO)Cc1ccc(Cl)cc1 78995291 BPRUSJXLFFCTKB-DZGCQCFKSA-N 382.287 3.728 0 40 GHAB O=C(CN1CC(c2nc(-c3ccsc3)no2)C1)Nc1ccc(F)c(Cl)c1 90567296 AUOZJKOXASSXRW-UHFFFAOYSA-N 392.843 3.629 0 40 GHAB Cc1cnn(-c2ccccc2)c1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 94993188 BUBXAPWKDYEGCN-UHFFFAOYSA-N 395.890 3.958 0 40 GHAB Cc1c(C(=O)N2C[C@H](C)OCC2(C)C)cnn1-c1cccc(C(F)(F)F)c1 95459611 LLJWIXZGHFUONG-LBPRGKRZSA-N 381.398 3.839 0 40 GHAB CC(C)Cn1nc(CC(=O)Nc2cccc3c2ccn3C)c2ccccc2c1=O 95479038 GUQARGCEJTVNOC-UHFFFAOYSA-N 388.471 3.725 0 40 GHAB CC(C)CS(=O)(=O)C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 96374481 JEUOHYXVHSVTLK-UHFFFAOYSA-N 383.510 3.716 0 40 GHAB CCc1ccc(N2C(=O)[C@@H]3C(c4ccco4)=NN(c4ccccc4)[C@H]3C2=O)cc1 101460721 JEXBYCCOIRVSBY-TZIWHRDSSA-N 385.423 3.625 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 105117908 UVUZUUSVNRUEJB-KCITZHQASA-N 392.565 3.721 0 40 GHAB NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc2nonc12 149629885 MORIFIDRNNREEV-SILNSSARSA-N 375.171 3.607 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220701893 MTFUFJUAPRRUEY-ZDUSSCGKSA-N 386.452 3.736 0 40 GHAB CCN(c1ccc(C(=O)NCc2ccc3ccccc3c2)cc1)S(=O)(=O)CC 222812676 COYATYVMKSASAH-UHFFFAOYSA-N 396.512 3.946 0 40 GHAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 223473122 KYJZJAUJURGAPY-OAQYLSRUSA-N 380.419 3.825 0 40 GHAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 223551662 UKFUFQYVTKOARJ-HXUWFJFHSA-N 380.532 3.914 0 40 GHAB S=C(NCc1ccc2c(c1)OCCO2)Nc1ccc(N2CCCCCC2)nc1 224051612 HILANJMCJCQNMW-UHFFFAOYSA-N 398.532 3.720 0 40 GHAB Cc1ccccc1NC(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 224269578 IUPRDZCRUDFOFX-UHFFFAOYSA-N 388.475 3.756 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 224552197 NYPDEAUKRAGEEK-QFIPXVFZSA-N 396.531 3.953 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 224739521 QLCSQCPSIHLOBV-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NC[C@@H]3CCCO3)o2)c1 224898276 ZQWDWGMUZZCTGT-KRWDZBQOSA-N 378.428 3.926 0 40 GHAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCOC(C)C)cc1 225047606 BEMBYMXINIJQME-RGEXLXHISA-N 386.517 3.759 0 40 GHAB COC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccc(OC)cc2)c1C 225266365 HYMNRZPEKFUCKJ-ZDUSSCGKSA-N 388.489 3.544 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C 225380171 ACRHLIAGQVBABE-RTBURBONSA-N 396.531 3.878 0 40 GHAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)c(C)c1 225476336 AFWYEXZJUHPEEG-OAHLLOKOSA-N 391.562 3.747 0 40 GHAB O=C(c1nccc2ccccc12)N1CC[C@@H](Oc2ncccc2Br)C1 238925916 UQCSNLBQWVAXLL-CQSZACIVSA-N 398.260 3.686 0 40 GHAB CC(C)CCNc1cnn(C23C[C@@H]4CC(C[C@H](C4)C2)[C@H]3C(=O)O)c(=O)c1Cl 245232594 YNDPLAHRHPBCOR-ZOQXVVGQSA-N 393.915 3.591 0 40 GHAB O=C1NCCN(C(=O)CCC2CCCC2)[C@H]1Cc1ccc(-c2cccnc2)cc1 257343955 ZVCBOJRVKPEPQR-QFIPXVFZSA-N 391.515 3.589 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)NCc2nc(C3CCCCC3)cs2)cc1 390831451 RXBRRFAJORLSBI-UHFFFAOYSA-N 378.519 3.872 0 40 GHAB COCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O 409141662 WHPLWPKZMSVBPA-MHWRWJLKSA-N 387.413 3.636 0 40 GHAB Cc1ncncc1C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 548630184 ANIAWGHNLLJMQD-INIZCTEOSA-N 378.245 3.958 0 40 GHAB Cc1csc(CNC(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 563086023 MMSASVHJMLXQDL-LSDHHAIUSA-N 376.482 3.728 0 40 GHAB O=C(O)c1csc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 573331310 UYALLICGICLEDY-QMMMGPOBSA-N 377.413 3.696 0 40 GHAB CC(C)(C)SC[C@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 575414234 DETJNDHHTXRXHQ-GFCCVEGCSA-N 385.580 3.766 0 40 GHAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)C1c2ccccc2Oc2ccccc21 575415633 KKRNJCMZJFGJQZ-GOSISDBHSA-N 392.499 3.541 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)N1CCCC(F)(F)C1 649997042 VZEMCYVSDKZLAX-UHFFFAOYSA-N 398.406 3.922 0 40 GHAB CS(=O)(=O)c1cc(NC(=O)N2CC3CC2(c2ccccc2)C3)ccc1Cl 666853686 HEKZJQHHCZVPFY-UHFFFAOYSA-N 390.892 3.897 0 40 GHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2nc3ccccc3o2)CC1 1889101149 CDPYQSSVHPGULW-UHFFFAOYSA-N 392.434 3.902 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)cc1F 2037912723 WXXXAGJVZVYTQN-OAQYLSRUSA-N 375.415 3.709 0 40 GHAB CC(C)Oc1ccccc1CN1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037983915 KWPGOEWFIQTHEK-DEOSSOPVSA-N 394.515 3.729 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2cccc(C)c2)cc1 979018 PYSVOOFBZGKXEG-UHFFFAOYSA-N 386.517 3.558 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 1003743 UWZXVTIRUUIADN-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCCCC3)c3ccccc32)c(C)c1 1320682 DARIYMVQFRLWIK-DEOSSOPVSA-N 392.499 3.554 0 40 GHAB COc1ccc(CN2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)cc1 2121610 ZTKRHVRDOBGROC-IBGZPJMESA-N 389.455 3.801 0 40 GHAB biogenic COc1cccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(C)cc2)CC3=O)c1 2403780 NQKYTXIYDKHUQR-KRWDZBQOSA-N 387.439 3.959 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1C[C@H]1CCCO1 2414969 ULXQRDWHCPNLOH-DNVCBOLYSA-N 397.377 3.795 0 40 GHAB Cc1c(NC(=O)c2cc(Br)c(Br)s2)cnn1C 2782554 QKDKSOZXIPTTQC-UHFFFAOYSA-N 379.077 3.567 0 40 GHAB CCOC(=O)[C@@](Cl)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F 3138615 VUUNEWFAARABGI-LLVKDONJSA-N 378.561 3.784 0 40 GHAB Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1Cc1ccco1 3345537 FRUATYHWKNXLQB-UHFFFAOYSA-N 378.350 3.810 0 40 GHAB Cc1ccc2nc3c(c(C(=O)OCC(=O)Nc4cc(C)on4)c2c1)CCCC3 3362401 HHNXSWHVJUKAHJ-UHFFFAOYSA-N 379.416 3.514 0 40 GHAB S=c1n(CN2CCCC2)nc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 3362749 KUVGXKMVLGPUDF-HNNXBMFYSA-N 383.521 3.795 0 40 GHAB CC(=O)c1ccccc1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C 3497315 UMEPPMHJDHXQKS-UHFFFAOYSA-N 378.384 3.648 0 40 GHAB COc1ccccc1CNC(=O)CSc1ncnc2sc3c(c12)CCCC3 3526076 RRZPDAACLPKZFD-UHFFFAOYSA-N 399.541 3.987 0 40 GHAB O=C(COc1ccc(Cl)cc1)N1CCN=C1SCc1ccc(F)cc1 4119962 MEBNYTDZKRNGJB-UHFFFAOYSA-N 378.856 3.990 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(CC)cc2)c1C 4549565 XUAOOZQBOKZMOS-AWEZNQCLSA-N 386.448 3.555 0 40 GHAB CCOc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1Br 4667068 SBPXKEVEGISDAY-LBPRGKRZSA-N 396.306 3.988 0 40 GHAB Cc1ccc(C(=O)N/C(=C\c2ccc(C(C)C)cc2)C(=O)NCCN(C)C)cc1 5012107 UDKBDLRBRFBUFM-JWGURIENSA-N 393.531 3.567 0 40 GHAB Cc1ccc(-c2ccc3nnc(SCC(=O)Nc4cccc(F)c4)n3n2)cc1 5167867 NDIVDWOLZZGTJH-UHFFFAOYSA-N 393.447 3.970 0 40 GHAB CN(CC(=O)Nc1ccc(Br)cc1)C(=O)OCc1ccccc1 5674872 VIFLZISLYJAKRU-UHFFFAOYSA-N 377.238 3.656 0 40 GHAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2nnc(C3CC3)s2)cc1 5938430 ZLGQSBIJTJQFDH-UHFFFAOYSA-N 384.461 3.781 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cccnc1 6167899 AORHCINVXBKWCZ-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB COC(=O)[C@H]1CP2(C)(C)N(C)C(=O)N2C1(c1ccccc1)c1ccccc1 6375652 STNGTAMSOBPAQR-GOSISDBHSA-N 384.416 3.743 0 40 GHAB CSc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 6590642 IYNUECZOLXQQLD-ZDUSSCGKSA-N 391.924 3.959 0 40 GHAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)C(Cl)(Cl)Cl 6615686 NNVGXJIRKBZZEA-UHFFFAOYSA-N 380.728 3.860 0 40 GHAB Cc1cc(=O)oc2c3c(ccc12)OCN(C1CCN(Cc2ccccc2)CC1)C3 6662748 NHODXJKPMMNJEA-UHFFFAOYSA-N 390.483 3.918 0 40 GHAB CCCSc1ncc(Cl)c(C(=O)NCCc2ccc(OC)c(OC)c2)n1 6810523 BNBBLBLLYXFXSQ-UHFFFAOYSA-N 395.912 3.622 0 40 GHAB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 6963646 LJVNVYHNDHLUAA-GZTJUZNOSA-N 388.489 3.583 0 40 GHAB Cc1nc(SCC(=O)Nc2sccc2C(N)=O)n(C2CCCCC2)c1C 6973342 LMWFKEXZSRDANL-UHFFFAOYSA-N 392.550 3.896 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)CCc1ccccc1 7375143 CRUYCNRIJTWKRN-ZDUSSCGKSA-N 398.322 3.757 0 40 GHAB CCOC(=O)Cn1c([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 7544337 DCBDYHNAQOCKHB-KRWDZBQOSA-N 391.471 3.682 0 40 GHAB CCCCNc1nnc(SCC(=O)Nc2ccccc2C(=O)OCC)s1 7814912 ODIVPYXGQXVAPY-UHFFFAOYSA-N 394.522 3.658 0 40 GHAB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2c(C)cccc2C)C1)C(=O)c1ccccc1 7881637 FTEUXXNTOLQLIS-OALUTQOASA-N 379.456 3.861 0 40 GHAB O=C(COC(=O)CCCC(=O)NC1CCCCC1)Nc1cccc2ccccc12 7939879 ITSZLLFQODYFEL-UHFFFAOYSA-N 396.487 3.941 0 40 GHAB Cc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 7990188 SDLFUNMRJMOAST-CQSZACIVSA-N 388.272 3.796 0 40 GHAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1nnc2ccccc21)c1ccccc1 8278859 QJUFHKYCRSMRSB-MRXNPFEDSA-N 399.454 3.561 0 40 GHAB CCc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)cc1 8412638 PIYZWHATUFWDSH-UHFFFAOYSA-N 382.460 3.848 0 40 GHAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)c1 8413913 IDYOYVGBXUNJHB-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB Cc1cccc(C)c1OCc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1 8510679 JOAUQVGPWLTFGV-UHFFFAOYSA-N 399.450 3.976 0 40 GHAB CC(C)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1 8728225 QPFAHVRZKPKIKE-IBGZPJMESA-N 390.480 3.741 0 40 GHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)cc3C)ccc21 8840578 FPEOCZICAXFLKP-UHFFFAOYSA-N 376.453 3.624 0 40 GHAB CC(=O)Nc1ccc(SCC(=O)Nc2ccnn2Cc2ccccc2)cc1 8881720 MWUNIQVJTHISJA-UHFFFAOYSA-N 380.473 3.621 0 40 GHAB Cc1cnc(NC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)s1 9303846 HBEUFZMWNWNRGE-UHFFFAOYSA-N 382.489 3.607 0 40 GHAB COc1cc(CSc2nnc3n2CCN3c2ccc(F)cc2)cc(OC)c1 9574114 GKDCJRAXWVOZGW-UHFFFAOYSA-N 386.452 3.878 0 40 GHAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1cc(Cl)ccc1Cl 9639376 UDIAKNYNNJFHPO-UHFFFAOYSA-N 389.164 3.985 0 40 GHAB Cc1cc(C)n2nc(C(=O)N3CCc4sccc4[C@H]3c3cccs3)nc2n1 9647863 ZFWVFVHNUULHIB-INIZCTEOSA-N 395.513 3.652 0 40 GHAB COc1ccc(CCNC(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 9909994 YQRPTENDBPVDQB-UHFFFAOYSA-N 382.504 3.911 0 40 GHAB O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(-c2cn3ccccc3n2)cc1 10322404 MLCJYBSRQXRURF-UHFFFAOYSA-N 388.402 3.509 0 40 GHAB C[C@@H](CCc1ccco1)NC(=O)C1CCN(c2nc3ccccc3n2C)CC1 12116351 IFPHTZYOPUETPA-INIZCTEOSA-N 380.492 3.520 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 12321115 VSLNVCKKWYPHDV-OAHLLOKOSA-N 381.863 3.533 0 40 GHAB Cc1nc(-c2ccccc2Cl)nc2sc3c(=O)n(CCN(C)C)cnc3c12 12321567 BRGVHXITCSBNJH-UHFFFAOYSA-N 399.907 3.592 0 40 GHAB CCOC(=O)c1sc2[nH]c(=O)cc(CSc3nccn3C3CC3)c2c1C 12544478 SJTSBZAAKFCCNK-UHFFFAOYSA-N 389.502 3.898 0 40 GHAB CC(=O)N[C@@H](C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C(C)C 12733701 XKBAASRNJSBKBM-SJFHUFEGSA-N 375.538 3.710 0 40 GHAB CC(=O)N[C@H](C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C(C)C 12733703 XKBAASRNJSBKBM-SOZFHFLDSA-N 375.538 3.710 0 40 GHAB Cc1ccc(S(=O)(=O)NCCc2ccc3c(c2)CCCN3C)cc1Cl 13008745 GMWOONONOZRXKY-UHFFFAOYSA-N 378.925 3.552 0 40 GHAB Cc1csc(=O)n1CCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 13010865 YCZJBPRGXDUPJK-AWEZNQCLSA-N 387.530 3.624 0 40 GHAB C[C@@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1cccc(Cl)c1 13039929 BVLLUPVIJBIJOM-GFCCVEGCSA-N 390.274 3.863 0 40 GHAB Cc1cc2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)cc(C(F)(F)F)n2n1 13226813 YCSIGDSNJXCNSS-AWEZNQCLSA-N 380.414 3.953 0 40 GHAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 13340236 OLSZKNBGUABZMG-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 13494919 UZHBHSNCAVNLHM-LBPRGKRZSA-N 377.853 3.738 0 40 GHAB COc1cccc(-c2nn3c(CCc4ccc(OC)c(OC)c4)nnc3s2)c1 13692214 HAKMEEOHRSNTPB-UHFFFAOYSA-N 396.472 3.664 0 40 GHAB CC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711899 VVRMWZNQMRMXEC-SFHVURJKSA-N 394.924 3.543 0 40 GHAB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc(F)cc1 13856490 WGQKFHYRPYFGEI-KRWDZBQOSA-N 391.398 3.758 0 40 GHAB COc1cccc2cc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c(=O)oc12 15830794 GUCWIEBVKYMMIY-UHFFFAOYSA-N 385.224 3.941 0 40 GHAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(CCO)C3=O 16751329 VJBARBNKXOUGLX-QGZVFWFLSA-N 383.831 3.601 0 40 GHAB Nc1c(Cl)cc(Cl)cc1C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 17482904 YJOVETAJSQRBMA-MRXNPFEDSA-N 379.243 3.752 0 40 GHAB C[S@@](=O)c1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1 17748749 KOZASUZRPGNXCD-VWLOTQADSA-N 380.849 3.596 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 18013856 KXOUNRCFYALXKY-KRWDZBQOSA-N 386.517 3.579 0 40 GHAB COc1ccccc1[C@H](NC(=O)c1c2c(nn1C)CCCC2)c1ccccc1 19288664 PAMQJEDAWZFEQW-OAQYLSRUSA-N 375.472 3.827 0 40 GHAB NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)C2CCC2)C1 19374253 SHQXTQQSBZQRHL-XMMPIXPASA-N 376.500 3.790 0 40 GHAB Cc1cc2ncn(CCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c2cc1C 19655328 OGMVWVUMCXECIQ-INIZCTEOSA-N 379.460 3.692 0 40 GHAB Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc(C(=O)O)c1O 20152060 KENIDTKBURSPFW-UHFFFAOYSA-N 399.255 3.832 0 40 GHAB COCc1c(-c2nnc(Cc3ccc(Cl)cc3)o2)nnn1-c1ccc(F)cc1 20744846 KQRNQXQUUKMNCW-UHFFFAOYSA-N 399.813 3.847 0 40 GHAB Cc1cc(N2CCN(C)CC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 21799085 RUUCVELCQSRIDZ-UHFFFAOYSA-N 393.388 3.614 0 40 GHAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1c(Cl)cccc1Cl 22040557 IDORAEULATXBGS-UHFFFAOYSA-N 378.303 3.750 0 40 GHAB C[C@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1 22436629 OYFGXGIKTPHNAL-INIZCTEOSA-N 387.911 3.733 0 40 GHAB COc1ccc(-c2nn3c(NC[C@@H]4CCCO4)cc(C)nc3c2C)cc1OC 23118899 VIWXKFAPHUBOED-INIZCTEOSA-N 382.464 3.621 0 40 GHAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 23763800 ALLKNLMLWVDNNG-RDTXWAMCSA-N 377.444 3.592 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H]1CCN(c2ccccc2)C1 27832538 CMHXYAYRXRWCGV-MRXNPFEDSA-N 378.501 3.770 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 28732268 KKLAAVIJYLZOIQ-INMULRNOSA-N 392.455 3.563 0 40 GHAB CCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 28781847 WBODAHXZXABZHF-BJMVGYQFSA-N 383.828 3.856 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1ccccc1OC(C)C)CC(O)=N2 31818957 LYKWGIFJSWEJHV-CQSZACIVSA-N 379.420 3.587 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2nc(C)c(C)nc2c1 32740876 AQAFRYLMZOVZHT-UHFFFAOYSA-N 379.460 3.926 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)nc2O)cc1 32778596 NGZVZBATOGJRFG-UHFFFAOYSA-N 380.473 3.900 0 40 GHAB Cc1cccc2c(=O)n(CCCC(=O)N(C)[C@@H]3CCc4ccccc43)cnc12 32905312 XQVLXBRVIJOFEW-HXUWFJFHSA-N 375.472 3.631 0 40 GHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NCCCCc1ccccc1 40067863 AKLYXDQMVWVBTG-QGZVFWFLSA-N 388.533 3.815 0 40 GHAB O=C(CSCc1cccs1)NCc1cccnc1OCC(F)(F)F 40074518 CGIXXHFTUCKGJC-UHFFFAOYSA-N 376.425 3.634 0 40 GHAB O=C(Nc1ccccc1SC1CCCC1)N1CCN(c2ncccn2)CC1 40104994 RYIFMVCOIWVKKG-UHFFFAOYSA-N 383.521 3.865 0 40 GHAB COc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c(OC)c1 40140270 UAYNUAGCWNAQPZ-UHFFFAOYSA-N 399.397 3.909 0 40 GHAB O=C(COc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1)C1CC1 44227402 VAEDMKWPMJJGEJ-UHFFFAOYSA-N 398.890 3.660 0 40 GHAB CCOC(=O)c1cccc(NC(=O)CSc2ccc(OC)c(OC)c2)c1 44841732 NPUZNBPIAVMEMO-UHFFFAOYSA-N 375.446 3.611 0 40 GHAB CN(CCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 44916666 NJKBRRYXZNFFGG-IBGZPJMESA-N 385.939 3.805 0 40 GHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCN(C)Cc1ccccc1 53349470 LMTPLBRJECQXEL-UHFFFAOYSA-N 396.922 3.755 0 40 GHAB Cc1noc([C@H]2CCCN(C(=O)C3(c4ccc(Br)cc4)CC3)C2)n1 54121163 XDMJOMZZSCBQBP-ZDUSSCGKSA-N 390.281 3.578 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)sc1C(=O)O 55586245 ZVFBCEYGELAJDI-UHFFFAOYSA-N 394.474 3.994 0 40 GHAB CCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(C)c(C)c1 57428575 HQCMBEWOJQPNPT-UHFFFAOYSA-N 387.530 3.682 0 40 GHAB CCc1cc(=O)n(CC(=O)N(C)c2ccccc2)c(-c2cccc(Cl)c2)n1 57527652 VCXMVXNAKCZETF-UHFFFAOYSA-N 381.863 3.789 0 40 GHAB C[C@H]1CCc2sc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)cc2C1 58158596 PYUCCWHMBWFXQK-AWEZNQCLSA-N 397.544 3.827 0 40 GHAB Cc1ccc2nc(COc3cccc(C(=O)N(C)Cc4cscn4)c3)cn2c1 58202664 XOTLOONFUVMYPM-UHFFFAOYSA-N 392.484 3.950 0 40 GHAB CC(C)Cc1ccc(C(=O)CCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 58218223 YDYKCBVXVVNSMX-LJQANCHMSA-N 381.472 3.804 0 40 GHAB O=C(NCc1ccccc1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 64676664 XULHAPGWTJHFHL-UHFFFAOYSA-N 389.846 3.913 0 40 GHAB O=C(NCc1cccnc1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323913 ZNZFFCQDICSIQY-UHFFFAOYSA-N 389.459 3.584 0 40 GHAB C[C@H]1CN(C(=O)c2ccccc2N(C)C(=O)C2CC2)C[C@H](c2ccccc2)O1 67830764 HSJZBGUFQZPCQL-HRAATJIYSA-N 378.472 3.662 0 40 GHAB COC(=O)c1nc(-c2ccc(C)cc2)oc1S(=O)(=O)c1ccc(Cl)cc1 72238721 PBSKJHMAQVIKHZ-UHFFFAOYSA-N 391.832 3.923 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCN2C(=O)C2CCN(C)CC2)n1 72384486 BSWMBKKOFKSMFT-SFHVURJKSA-N 398.482 3.722 0 40 GHAB COc1ccccc1Cc1noc(C2CN(C(=O)c3ccc(Cl)s3)C2)n1 77191347 YRMBAOLLPNSEEF-UHFFFAOYSA-N 389.864 3.624 0 40 GHAB Cc1ccc(-n2cc(C(=O)N[C@@H](C)CC[S@@](C)=O)c(-c3ccccc3)n2)cc1 78994491 WAWHDBLHDMUZPE-HPGBDJQBSA-N 395.528 3.735 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c(Br)c1 84131101 VRVXGEFYRATOOA-SFHVURJKSA-N 389.293 3.597 0 40 GHAB CC[C@@H](O)CN1CCN(c2ncnc3scc(-c4ccc(C)c(C)c4)c23)CC1 84733558 ZIOAJVOPTOWJAH-GOSISDBHSA-N 396.560 3.868 0 40 GHAB COC(=O)c1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)cc1 95474703 PTSCNVAWVNENIZ-MRXNPFEDSA-N 387.461 3.502 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1nnc(C(C)C)o1 95999857 LASWOELFGHSFLE-LJQANCHMSA-N 395.507 3.628 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CCC(S(=O)(=O)c2ccccc2)CC1 96099406 LPCJMSUIYMKSCL-ZHACJKMWSA-N 389.904 3.818 0 40 GHAB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2cccs2)CCO1 96117910 OTUPUQZPPFEBOK-IINYFYTJSA-N 379.507 3.555 0 40 GHAB O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NCCc1ccccc1 96232073 LUXJLRSWCCBUHH-UHFFFAOYSA-N 389.480 3.552 0 40 GHAB CCc1ccc(C2=NN(C(=O)c3ccc(OC)cc3)[C@](O)(C(F)(F)F)C2)cc1 96580085 DSCDQFZVDYFMRR-LJQANCHMSA-N 392.377 3.759 0 40 GHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cccc(Cl)c2)CC1=O 96590644 QQIVIZRVUOETQQ-LLVKDONJSA-N 379.243 3.994 0 40 GHAB O=C(Nc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101322998 SYOOESHCSMBQIC-IRXDYDNUSA-N 388.464 3.827 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102394047 QPPIKSCLZHRCRH-TWVWUCKLSA-N 385.504 3.931 0 40 GHAB CCc1cccc2c(C3CCN(C(=O)[C@H]4CCCN(C(=O)OC)C4)CC3)c[nH]c12 104302126 BVAAAJMYIKDCPZ-SFHVURJKSA-N 397.519 3.915 0 40 GHAB COc1cc(/C=C2/NC(=S)NC2=O)ccc1OCc1cccc2ccccc12 113834522 POHFOXWFIPCBER-WOJGMQOQSA-N 390.464 3.773 0 40 GHAB Cc1cc(C)cc(N(CCCC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)c1 113966546 SXTVFJNQWVUYIW-UHFFFAOYSA-N 382.570 3.646 0 40 GHAB COc1ccc(CCCNC(=O)CSCc2ccc(F)cc2)cc1OC 219261760 ZNRZJRNEXAOYHW-UHFFFAOYSA-N 377.481 3.825 0 40 GHAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 219598080 BFSNDEDSEBNJOU-VQTJNVASSA-N 389.517 3.823 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220470516 QAAGSVCDYRGCLG-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccnc(N2CCCCC2)n1 224208292 YEPUCYSPDHIFIM-UHFFFAOYSA-N 388.899 3.594 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1C 225070083 SITHUANYBZCSIM-HXUWFJFHSA-N 396.531 3.668 0 40 GHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(C)c2C)ccc1Cl 225237101 XZPYIGAWRWUGGP-UHFFFAOYSA-N 397.880 3.943 0 40 GHAB CCOc1cc(C(=O)NCCCc2cc(C)no2)cc(OCC)c1OCC 253472765 PHFWKUUCAVAOQU-UHFFFAOYSA-N 376.453 3.542 0 40 GHAB O=C(NCCc1ccccc1)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1c1nc(O)c2ccccc2n1 253500854 GBEAYLZWZNFPJY-ZCLUNYJNSA-N 385.467 3.600 0 40 GHAB Cc1ncsc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N[C@@H]2Cc1ccccc1 257203477 AQGBABZTQRCSSF-GOYZHWMFSA-N 381.545 3.808 0 40 GHAB O=C(Nc1cccc(Cl)c1)N1C[C@H]2Cc3cnc(NCC4CC4)nc3[C@H]2C1 306141249 VPXIHCBZYOLLEO-PBHICJAKSA-N 383.883 3.756 0 40 GHAB CS(=O)(=O)N(CCCC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1 408705971 RSAMTBPMSPMZNA-UHFFFAOYSA-N 384.860 3.664 0 40 GHAB CCOc1cc(C=O)c(Br)cc1OCc1ccc2c(c1)OCO2 408859404 UBNGEGMTDPXKGO-UHFFFAOYSA-N 379.206 3.968 0 40 GHAB COc1ccc([C@H](C)NC(=O)N2CCCN(c3ccccc3)CC2)c(C)c1OC 513426677 KSHHZHOFFFLUEJ-SFHVURJKSA-N 397.519 3.995 0 40 GHAB CC(C)(c1ccc(NC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)cc1)C(F)(F)F 554507113 RCBSQXOVLRRVTR-HZPDHXFCSA-N 386.414 3.938 0 40 GHAB CO[C@]1(C)CCCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CC1 583671087 WSZVJDBRXGNSAB-QGZVFWFLSA-N 380.901 3.703 0 40 GHAB CC1(C)[C@H](NC(=O)C(F)F)[C@H]2CCCN(c3nc4cccc(F)c4s3)[C@H]21 585137773 SMPYUZIDUBAVRG-OWYVNGRQSA-N 383.439 3.810 0 40 GHAB Cn1cc(CCN2C[C@H](c3cccc(C(F)(F)F)c3)OCC23CCCC3)nn1 625460566 PXSQGCKBFVZVKM-GOSISDBHSA-N 394.441 3.763 0 40 GHAB Cc1cccc2c1OC[C@H](NC(=O)N[C@@H](Cc1ccccc1)c1ncco1)C2 654568704 XXCAMXGMEPXWTB-MOPGFXCFSA-N 377.444 3.570 0 40 GHAB COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1 672632619 DEOLMZYLJOHPTQ-ACJLOTCBSA-N 385.439 3.938 0 40 GHAB O=C(c1ccccc1)N1CCC2(CC1)Cn1c(-c3ccsc3)cnc1CO2 1565542632 GRFMETXWLOAAMB-UHFFFAOYSA-N 379.485 3.817 0 40 GHAB Cc1cccc(CN2CC[C@H]3[C@H](CC(=O)N(C)Cc4ccccc4)OC[C@H]3C2)c1 1565552975 FJBYOQAWKCQXTJ-SMIHKQSGSA-N 392.543 3.881 0 40 GHAB COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2ccc(C)c(O)c2)C1=O 937856 WSSNPOHWIDYEBZ-UHFFFAOYSA-N 393.226 3.798 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)N2C(=O)CCSC2=N1 1254627 XGKHKOJFSUANQF-MRXNPFEDSA-N 378.881 3.942 0 40 GHAB Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)cc1 1363300 RPGQKYLUSQZYAI-QGZVFWFLSA-N 383.473 3.613 0 40 GHAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(N4CCN(C(=O)C5CC5)CC4)c23)C1 1377091 ZBXAWKQORJLBOX-CYBMUJFWSA-N 396.560 3.752 0 40 GHAB CCCOc1ccc(-c2nc3s/c(=C\c4ccc(Cl)cc4)c(=O)n3n2)cc1 1806288 YFMBCNTXZYMZET-ATVHPVEESA-N 397.887 3.808 0 40 GHAB O=C1CC[C@@](c2ccccc2)(C2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1 2018996 VCMZUKHJKLNFPH-CZNRWDAFSA-N 388.511 3.786 0 40 GHAB in-man CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccc(OC)cc1 2439303 DVGQOFKSDPLWJO-PBHICJAKSA-N 388.537 3.761 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)C1 2633118 HWUHBHNZPIMNRK-OAHLLOKOSA-N 378.428 3.910 0 40 GHAB C[C@@H]1CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)C1 2664420 UZHPPHXHWWJVIJ-DNVCBOLYSA-N 395.528 3.829 0 40 GHAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1 3488558 BFGCBEGPMLAWNL-UHFFFAOYSA-N 379.821 3.586 0 40 GHAB CCOC(=O)[C@@](O)(c1ccc(NC(=O)c2cccs2)c(C)c1)C(F)(F)F 4208120 ONQGDMYQQHDVFF-INIZCTEOSA-N 387.379 3.622 0 40 GHAB O=C1N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 4302678 OZKFEPIREITUCS-HZPDHXFCSA-N 397.283 3.606 0 40 GHAB COc1cc(C(=O)OCC(=O)NC2CCCCCC2)ccc1OCC(C)C 4363360 FSLFPRZOUZPBIT-UHFFFAOYSA-N 377.481 3.726 0 40 GHAB Sc1nnc(-c2ccc(Br)cc2)n1-c1ccc2c(c1)OCO2 4710558 DQKRFEFUOYDYIM-UHFFFAOYSA-N 376.235 3.714 0 40 GHAB Cc1cc(C)cc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)c1 4739333 SQUATUMRBVUISZ-UHFFFAOYSA-N 379.504 3.860 0 40 GHAB COc1cccc(/C=C/C(=O)OCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)c1 4821971 LFFFVMNDCPGZBN-MDWZMJQESA-N 395.455 3.506 0 40 GHAB Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1Cc1ccco1 4836970 XVYKZQBJFMCHPZ-UHFFFAOYSA-N 389.459 3.871 0 40 GHAB O=C(Nn1c(Cc2cccs2)nc2ccccc2c1=O)c1cccc(F)c1 4891190 BDQXLOHORJJNJT-UHFFFAOYSA-N 379.416 3.572 0 40 GHAB Cc1cc(C)c2nc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)sc2c1 5182358 DNCOHYDYERLXSA-UHFFFAOYSA-N 394.544 3.942 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 6153964 RDBCIYXWYWBDCF-UHFFFAOYSA-N 391.349 3.789 0 40 GHAB 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CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1C 3389345 WICASQVWWBGUCJ-UHFFFAOYSA-N 393.443 3.676 0 40 GHAB CCOc1ccc(C(=O)N(c2ccccc2CC)[C@H]2C=CS(=O)(=O)C2)cc1 4165559 BJYOURNDZYWUNR-SFHVURJKSA-N 385.485 3.605 0 40 GHAB CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC(C)(C)NC2(C)C 4275294 QZUOPPSLBPFUBO-UHFFFAOYSA-N 376.478 3.930 0 40 GHAB COc1ccccc1-c1nnc(NC(=O)c2ccc(Br)s2)o1 4276005 QDPGROUCCXCQIF-UHFFFAOYSA-N 380.223 3.822 0 40 GHAB CCOc1cc(CNCCO)cc(Br)c1OCc1ccccc1F 4670736 HEMDHSOQZHMZGO-UHFFFAOYSA-N 398.272 3.648 0 40 GHAB COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4741097 WXUDMBAWHSOYTB-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB CCOC(=O)c1ccccc1NC(=S)N1CCN(c2cccc(C)c2C)CC1 4767823 GYCQJKLHVGECLP-UHFFFAOYSA-N 397.544 3.999 0 40 GHAB O=C(CSc1nnc(-c2ccccn2)o1)Nc1cccc(C(F)(F)F)c1 4776346 BDCIAXAPLVWJPA-UHFFFAOYSA-N 380.351 3.881 0 40 GHAB Cc1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2Cc1cccnc1 4789448 VBCGILCYUOKAGH-UHFFFAOYSA-N 391.496 3.528 0 40 GHAB CCOC(=O)[C@H](CC(=O)Nc1nc(C(C)=O)c(C)s1)[C@H](C)c1ccccc1 5015718 NAPVPXHJOKEVDL-MLGOLLRUSA-N 388.489 3.966 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)cc1 5270143 NWTPNFHNPLMEDQ-UHFFFAOYSA-N 389.455 3.724 0 40 GHAB CN(C)S(=O)(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 5937129 NJHQOVCHTNOTSL-UHFFFAOYSA-N 398.937 3.711 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCCCC3)cc2)cc1 6024015 ZHSJVEZUKQQLPK-UHFFFAOYSA-N 386.517 3.741 0 40 GHAB Cc1ccccc1N1C(=O)C=C(O)N[C@@H]1SCC(=O)Nc1c(C)cccc1C 6868386 IWWZOQFBRHNCCW-NRFANRHFSA-N 397.500 3.603 0 40 GHAB C[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl 7407760 LCMDOFQHCFWCPP-WDEREUQCSA-N 391.254 3.855 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC[C@@H]1c1cccn1C 7854754 YDKTVWIUROOGGG-HXUWFJFHSA-N 377.492 3.603 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)nc1n2CCCCC1 8134739 BDAMPDBECUDUIZ-UHFFFAOYSA-N 385.489 3.881 0 40 GHAB O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)c1ccc2c(c1)OCCCO2 8316550 SPSWURRCEFMEGO-OAHLLOKOSA-N 395.477 3.502 0 40 GHAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1 8718886 IUIXBYBLDXOYIS-UHFFFAOYSA-N 391.515 3.922 0 40 GHAB O=C(CSc1nccn(-c2cccc3ccccc23)c1=O)NC1CCCC1 9761535 ZYCAGZUFHDEAGW-UHFFFAOYSA-N 379.485 3.537 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccc(C)cc2)c2c(C)cc(C)cc21 9872584 SIPVWLFYYRYKLA-HSZRJFAPSA-N 381.472 3.594 0 40 GHAB C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)C1 10544058 NVIOCQOGJZGUAS-CHWSQXEVSA-N 379.353 3.640 0 40 GHAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)n1 11443385 JAJFTBQWVFYXJN-MRVPVSSYSA-N 387.292 3.544 0 40 GHAB COc1ccc(Cc2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)o2)cc1 11650406 XMSPFXLYJJEDHI-GFCCVEGCSA-N 394.456 3.759 0 40 GHAB Cc1cc(C(=O)N(CCCN(C)C)c2nc3ccc(Cl)cc3s2)on1 11694235 ITOCBIKBYIZNST-UHFFFAOYSA-N 378.885 3.845 0 40 GHAB CC(C)[C@@H](NC(=O)CSc1nnc(C(F)(F)F)n1C)c1cccs1 11867682 CSBURAFQQAXQCC-LLVKDONJSA-N 378.445 3.501 0 40 GHAB Cc1sc2nc(C)n(C3CCN(C(=O)c4cccs4)CC3)c(=O)c2c1C 12145414 WELVKNSPPBIHGJ-UHFFFAOYSA-N 387.530 3.922 0 40 GHAB CC(C)Oc1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 12194513 TWUINMRIVYVDIR-UHFFFAOYSA-N 388.489 3.656 0 40 GHAB COc1ccc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cc(OC)ccc2OC)C3)cc1 12361623 KFBWUBPYBDNELH-VXMMSVGHSA-N 397.515 3.832 0 40 GHAB Cc1ccc(OCCNC(=O)N(C)CC(=O)Nc2ccccc2Cl)c(C)c1 12757637 AVXDRBDBTALKKD-UHFFFAOYSA-N 389.883 3.616 0 40 GHAB CCCS(=O)(=O)c1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 12865372 NUNNNEZUJKGZLR-UHFFFAOYSA-N 385.529 3.965 0 40 GHAB Brc1ccc(OCc2nn3c(-c4cccnc4)nnc3s2)cc1 13495736 YJJKRTRTXLWVFI-UHFFFAOYSA-N 388.250 3.589 0 40 GHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc21 13610417 PGALXTBKRGAUJM-UHFFFAOYSA-N 396.871 3.834 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Oc3ccccc3C)o2)cc1OC 15670936 WHYQYWIKNAKHLV-UHFFFAOYSA-N 386.429 3.760 0 40 GHAB COc1cccc(NC(=S)N2CCC(NC(=O)C3CCCCC3)CC2)c1 15935885 LHBUHLMRNKAEHK-UHFFFAOYSA-N 375.538 3.553 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2ccc3ccccc3n2)N2CCCC2)cc1 17911482 MZFAXDWCIGBKDM-JOCHJYFZSA-N 375.472 3.810 0 40 GHAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccn2)C1)c1cccs1 19401616 MQAGNCNAZRSNQH-UWJYYQICSA-N 392.528 3.921 0 40 GHAB CCC(=O)N1CCC[C@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC(C)C)C1 19498650 JCFWJCQNPAGXRC-XMMPIXPASA-N 393.531 3.835 0 40 GHAB CCn1cc(-c2cc(C(=O)Nc3nnc(-c4cccc(C)c4)s3)no2)cn1 19719247 WEWANWUVTDROLY-UHFFFAOYSA-N 380.433 3.637 0 40 GHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)cs2)cc1 19796555 DQFDFSUHYRXPAU-NSHDSACASA-N 395.440 3.790 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)c(C)c1 22732507 MXAAYYBEHMZJBO-MRXNPFEDSA-N 392.546 3.937 0 40 GHAB Nc1nc(Cn2cccc(C(F)(F)F)c2=O)nc2sc3c(c12)CCCCC3 23107715 JFXKXFIJWYHDKJ-UHFFFAOYSA-N 394.422 3.771 0 40 GHAB O[C@@H](COc1ccc(Cl)cc1)CN1CCN(c2cccc(Cl)c2)CC1 23211906 RHUYCSDNRLNNNO-GOSISDBHSA-N 381.303 3.555 0 40 GHAB CC(C)(C)OC(=O)NC1(CNC(=O)COc2ccccc2)CCCCCC1 24493423 HLWXACAUPAFJSH-UHFFFAOYSA-N 376.497 3.799 0 40 GHAB C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 24968309 IBMMYDCCJPQHCP-SNVBAGLBSA-N 381.448 3.501 0 40 GHAB Cc1cccc(C)c1NC(=S)NC[C@H](c1ccc(F)cc1)N1CCOCC1 25764793 OVVFTHSWJNGVIS-LJQANCHMSA-N 387.524 3.802 0 40 GHAB CN(C)[C@@H](CNC(=O)c1cc2c(nc3sccn32)s1)Cc1ccccc1 27587778 FJBVDLPWPYWCIU-CQSZACIVSA-N 384.530 3.513 0 40 GHAB COc1ccc2nc(C)c(C(=O)NC[C@H]3CCN(c4ccccc4)C3)cc2c1 27834250 CGGCFSIZBRNDRN-QGZVFWFLSA-N 375.472 3.808 0 40 GHAB CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cccc4ncccc34)CC2)cc1 30883802 KHOWVALEIXOSPD-UHFFFAOYSA-N 387.483 3.956 0 40 GHAB O=C(NC[C@@H]1CCCc2ccccc21)[C@H]1CCCN(C(=O)c2cccs2)C1 30897933 WIEWSOHCSQTPPL-ROUUACIJSA-N 382.529 3.837 0 40 GHAB Cn1cnnc1[C@@H]1CCCN(c2nc(-c3ccsc3)nc3ccccc23)C1 31653316 WYCSQUXFKTVMPO-CQSZACIVSA-N 376.489 3.871 0 40 GHAB COC(=O)c1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)s1 31712271 QFIQONSHUMPCCG-UHFFFAOYSA-N 377.447 3.608 0 40 GHAB Cc1ccc(CN(C)C(=O)c2ccccc2S[C@@H]2CCS(=O)(=O)C2)cc1 32744531 ORQHCCQKFYYRNJ-QGZVFWFLSA-N 389.542 3.546 0 40 GHAB O=C1SCCN1CCC(=O)N(c1ccccc1)c1cc2ccccc2c(=O)[nH]1 32788389 JARMUNNQVPPGHM-UHFFFAOYSA-N 393.468 3.752 0 40 GHAB CNC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)cc1 32796817 ZFJSMGRXDSMILF-UHFFFAOYSA-N 380.423 3.747 0 40 GHAB CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 32869010 QNFGOXAQBNTNMP-UHFFFAOYSA-N 379.441 3.956 0 40 GHAB Cc1nc2sccn2c1C(=O)c1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1 32873875 SPVPVUMQLLKYNC-UHFFFAOYSA-N 399.472 3.765 0 40 GHAB COCCNC(=O)c1c(NC(=O)/C=C\c2ccccc2)sc2c1CCCC2 33368068 NYXGGVSSYNGBHU-QXMHVHEDSA-N 384.501 3.655 0 40 GHAB CCOc1cc(CO)ccc1OCc1ccc(I)cc1 34772787 AKEBKAJYBNRYSM-UHFFFAOYSA-N 384.213 3.761 0 40 GHAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S 35040895 CJUNOPFJYVQKME-XDPMZMSMSA-N 378.519 3.597 0 40 GHAB O=C(COc1ccccc1)N1CCC[C@H](c2nnc(Cc3ccc(F)cc3)o2)C1 35596879 OBCSWHAHKLZACV-KRWDZBQOSA-N 395.434 3.585 0 40 GHAB COc1ccc(-n2nnnc2C2(NCCc3ccccc3)CCCCC2)cc1 35622168 JLDHHBMCOHYAHK-UHFFFAOYSA-N 377.492 3.663 0 40 GHAB COC(=O)c1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(OC)cc2)cc1 36358420 AINDPNFUEYQFEW-KRWDZBQOSA-N 377.400 3.791 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCSCC2)[nH]n1 38651922 PQUXVAAMROHCHH-UHFFFAOYSA-N 388.493 3.837 0 40 GHAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCC1(c2ccccc2)CC1 40034334 BOAGXFOKSLLJKV-HNNXBMFYSA-N 386.492 3.734 0 40 GHAB CCOC(=O)N1CCC[C@H](C(=O)Nc2c(-c3ccccc3)nc3sccn23)C1 40059855 XSULWYUXTRRZNA-HNNXBMFYSA-N 398.488 3.870 0 40 GHAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CCn3c(C)csc3=O)cn2)c1 40107156 YULWFXORIIRTCU-UHFFFAOYSA-N 397.500 3.729 0 40 GHAB COc1cccc(-c2c3c(=O)n([C@H]4CCCC[C@H]4C)ccc3nc3ncnn23)c1 40398233 GBUVEDYQWHPAJD-KDOFPFPSSA-N 389.459 3.866 0 40 GHAB O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)c1nc2ccccc2s1 43983408 FWBAOTIKPFCCJM-UHFFFAOYSA-N 395.484 3.937 0 40 GHAB CC[C@H](C(=O)N(C)Cc1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 44947495 MOLRAUFMVGSSDE-HXUWFJFHSA-N 388.533 3.507 0 40 GHAB O=C1NCCCC[C@H]1Sc1nnc(COc2ccccc2Cl)n1C1CC1 48265676 NSCGZJGXBLDKPG-OAHLLOKOSA-N 392.912 3.606 0 40 GHAB O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(F)cc1Cl 51315206 NLOAGMJWGLNYNM-UHFFFAOYSA-N 376.727 3.615 0 40 GHAB O=C(CCC(=O)c1cccs1)NCC1CCN(Cc2cccs2)CC1 58208974 WMMCFJHCUOGPIB-UHFFFAOYSA-N 376.547 3.801 0 40 GHAB C[C@]1(c2ccco2)NC(=O)N(Cc2ccc(OCc3ccc(F)cc3)cc2)C1=O 58420114 NNEGOQBKMNJGJS-JOCHJYFZSA-N 394.402 3.965 0 40 GHAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(NC(C)=O)cc1 59099159 PKIANCINQADPSR-UHFFFAOYSA-N 380.473 3.898 0 40 GHAB O=C(NCCc1ccccc1F)NC[C@@H]1CCCN(Cc2cccs2)C1 60244802 WAOCANOKKAOLIM-INIZCTEOSA-N 375.513 3.641 0 40 GHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 68351900 RQJARZSAMVURIS-HZPDHXFCSA-N 386.835 3.920 0 40 GHAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc(-c2ccccc2)no1 68928587 DQQAZBXUCCGBBT-CQSZACIVSA-N 383.398 3.876 0 40 GHAB NC(=O)C1CCN(C(=O)c2ccc(CSCc3ccccc3Cl)o2)CC1 71011671 YLKGJYBDTZLYJV-UHFFFAOYSA-N 392.908 3.704 0 40 GHAB Cc1ccc(CSc2nc3ccc(Br)cc3c(=O)n2N)cc1C 71327682 UMTOBCADNPCTMB-UHFFFAOYSA-N 390.306 3.782 0 40 GHAB O=C(Cc1cccnc1)N1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 72362365 OXTVWCQRUQBZLN-KRWDZBQOSA-N 392.434 3.752 0 40 GHAB CC(=O)N1CCC(N2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)CC1 72363007 YBLMPMMNTDJROV-UHFFFAOYSA-N 398.482 3.598 0 40 GHAB O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cc2c([nH]c1=O)CCCC2 95959104 ZHXPVYBGCDKHPR-INIZCTEOSA-N 377.271 3.978 0 40 GHAB Cc1nc(Nc2cccc(Br)c2)cc(C(=O)N2CCCCC2)n1 96182768 LICNQEKORMCXTL-UHFFFAOYSA-N 375.270 3.917 0 40 GHAB Cc1ccc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)c(-n2cnnn2)c1C 96232304 VOJCPFYWRBXXBW-LJQANCHMSA-N 386.459 3.568 0 40 GHAB C[C@H](c1ccccc1)N(CC(=O)NC(=O)NCC(F)(F)F)c1ccccc1 97162196 ZEZSXUADXVFBLD-CQSZACIVSA-N 379.382 3.642 0 40 GHAB CCCOc1ccc([C@H]2C=C(c3cccc(F)c3)Nc3nnnn32)cc1OC 102317281 BBPOBHUEPZFYPO-QGZVFWFLSA-N 381.411 3.666 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)/N=c1/sccn1Cc1ccccc1F 104409936 LIZFFZNONGSZJP-DARPEHSRSA-N 393.443 3.837 0 40 GHAB COc1cc(C(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc(OC)c1OC 109021688 COXRYYNDBVOMGI-INIZCTEOSA-N 397.431 3.693 0 40 GHAB CSc1cccc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 220129466 OIFDIRLNLRGXOY-AWEZNQCLSA-N 378.519 3.510 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 222492076 LVTRYKSDSLSHKY-HNNXBMFYSA-N 390.936 3.986 0 40 GHAB CSc1cccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222494763 NEWOZSJDUAHXPA-UHFFFAOYSA-N 384.910 3.710 0 40 GHAB CN(c1ccc(Cl)c(C(=O)Nc2ccc(F)c(Cl)c2)c1)S(C)(=O)=O 222495014 OWCFMOJRLLRGET-UHFFFAOYSA-N 391.251 3.781 0 40 GHAB CCOc1ccc(CNS(=O)(=O)c2cc(C)c(OC)cc2C)cc1OCC 223383130 LHQBEKQJHGGZPM-UHFFFAOYSA-N 393.505 3.588 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 223582364 DTFDHYCTTNOPPB-LJQANCHMSA-N 382.504 3.544 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 223890832 FYUPIMNZUJXLIX-QZTJIDSGSA-N 382.570 3.791 0 40 GHAB CCOc1ccc(C(=O)N2CCN(C)CC2)cc1COc1cccc(Cl)c1 224492193 KEXSNQFEKQHZOG-UHFFFAOYSA-N 388.895 3.705 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 224624960 YWVOMRIUARQRIY-QFIPXVFZSA-N 380.532 3.832 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(CC)cc1 224767738 NGFHPQXUUZCQKP-LJQANCHMSA-N 396.531 3.880 0 40 GHAB CCc1ccccc1N(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl 224928492 DZWLDTJFXYXKOG-UHFFFAOYSA-N 388.272 3.836 0 40 GHAB CN(C(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1)c1ccc(F)cc1 225851599 HLVWODHXCRHTEK-UHFFFAOYSA-N 392.477 3.713 0 40 GHAB S=C(Nc1nc(N2CCCC2)cc(N2CCCC2)n1)NC1CCCCCC1 226009727 BEUVRAZZGFMWIU-UHFFFAOYSA-N 388.585 3.686 0 40 GHAB Cc1cc(NC(=S)NC(=O)Cc2ccccc2)cc(Br)c1O 226243528 AQLFWRYFQXPTQR-UHFFFAOYSA-N 379.279 3.519 0 40 GHAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 257205910 BBAPRSUDDIKDGC-IBGZPJMESA-N 380.423 3.794 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1 260826424 ADYZTHJVWRJGAJ-QGZVFWFLSA-N 396.512 3.619 0 40 GHAB Cc1ccc(CC(=O)N2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 306130128 IWXDJLRZHFFZMK-OAQYLSRUSA-N 397.482 3.658 0 40 GHAB COc1ccc(-c2n[nH]c3c2C[C@H](C(=O)NCc2cccc(OC)c2)CC3)cc1 306142855 XMOWPPONXHLOCI-QGZVFWFLSA-N 391.471 3.515 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2c(C)cccc2CC)ccc1OC 408585060 BLLNSBNBUQOXDU-UHFFFAOYSA-N 392.477 3.935 0 40 GHAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 408596805 SHLGVXUXDNLJFD-UHFFFAOYSA-N 380.897 3.896 0 40 GHAB CC(C)(C)Cc1nc2cc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)ccc2o1 528974468 VLTPOWDGFXYGQR-CLTPODQCSA-N 389.521 3.934 0 40 GHAB Cc1noc(C2(NC(=O)Nc3cccnc3-c3ccc(C)s3)CCOCC2)n1 529080506 OTAZRJJSBBLWDT-UHFFFAOYSA-N 399.476 3.637 0 40 GHAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 543256964 QWGFWSUQZGNJTK-AWEZNQCLSA-N 390.365 3.901 0 40 GHAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@@H](CN(C)Cc2cccnc2)C3)c1 585104903 WQSKCFWTFQGJIK-JOCHJYFZSA-N 393.531 3.533 0 40 GHAB CNC(=O)Cc1noc(CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)n1 675294693 MJQXYBUNSISFRQ-UHFFFAOYSA-N 396.397 3.570 0 40 GHAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CCCN([C@@H]2CCSC2)CC1 1888854647 LYRSDRWGXOTSKJ-QGZVFWFLSA-N 386.483 3.678 0 40 GHAB O=C1N(c2ccccc2)CCCC[C@]12CN(Cc1cc(F)cc(F)c1)CCO2 2037984149 RVCPUZDGPUSHAX-QFIPXVFZSA-N 386.442 3.753 0 40 GHAB Cc1cccc(COC[C@@H]2C[C@H]3OCCN(C(=O)CC4=CCCCC4)[C@@H]3C2)n1 2055729832 SJJKGZKWQLQLOV-KSEOMHKRSA-N 384.520 3.803 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)OC(C)C)n1-c1ccccc1 793576 RNLLOWFZHGSIKU-UHFFFAOYSA-N 383.473 3.987 0 40 GHAB O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 804752 PWRMMZFLQQOFQS-UHFFFAOYSA-N 386.517 3.823 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1Cl 940456 KAFFMXSTZIEWSZ-SFHVURJKSA-N 395.850 3.868 0 40 GHAB CCCc1cc(-c2nc(N)ncc2-c2ccc3c(c2)OCCO3)c(O)cc1OC 1324022 UYMCEJCRWXFDJS-UHFFFAOYSA-N 393.443 3.831 0 40 GHAB biogenic Cc1nonc1NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 1430458 HVUIGTNKYBQFAR-UHFFFAOYSA-N 391.456 3.962 0 40 GHAB CCc1ccc(Oc2coc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 2124067 OWFGHRACLHAPNT-UHFFFAOYSA-N 382.368 3.998 0 40 GHAB biogenic CC(C)(C)NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 2524061 DILDROBWTSGQNJ-UHFFFAOYSA-N 380.517 3.865 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Sc2nnc(-c3cccs3)o2)cc1 2621051 SPCJCGLSQNTMHU-LLVKDONJSA-N 375.475 3.604 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)CCC(=O)c1cccs1 3313910 JFWWCAMRUHVZOA-UHFFFAOYSA-N 395.864 3.863 0 40 GHAB S=c1n(CN2CCCC2)nc([C@H]2COc3ccccc3O2)n1-c1ccccc1 3362759 AGMYGVCNMJLIPV-LJQANCHMSA-N 394.500 3.969 0 40 GHAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl 3436786 MYPJQOSJHKFRAE-QHHAFSJGSA-N 394.210 3.917 0 40 GHAB COc1ccc([C@H](CNC(=O)c2cc(F)c(F)cc2Cl)N(C)C)cc1OC 3444754 QCFSTVWZECWAKY-INIZCTEOSA-N 398.837 3.668 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)C(c2ccccc2)c2ccccc2)c1 3459520 SLEWCIAOQRHZDB-UHFFFAOYSA-N 388.467 3.924 0 40 GHAB COc1cc(C(=O)Cc2nc3ccccc3n2C(F)F)cc(OC)c1OC 3888474 PNQMNYRNBAOSRX-UHFFFAOYSA-N 376.359 3.883 0 40 GHAB CCOC(=O)CSc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 4078400 DSDIBFYNBNDGSB-UHFFFAOYSA-N 392.289 3.752 0 40 GHAB COc1cc(C(=O)Nc2nc3c(OC)ccc(C)c3s2)cc(OC)c1OC 4330958 MGFVGRFGDOYPNJ-UHFFFAOYSA-N 388.445 3.891 0 40 GHAB COc1ccc(/C=C/c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)cc1 4384017 LENGACKQBUNXFO-VGMNTSGFSA-N 392.440 3.877 0 40 GHAB Clc1ccccc1OCc1nn2c(Cn3cnc4ccccc43)nnc2s1 4384027 LECIYGJRQBCWJX-UHFFFAOYSA-N 396.863 3.816 0 40 GHAB CCN(CC)CCCNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 4673391 YNTIUFMBEHRMHW-UHFFFAOYSA-N 381.520 3.980 0 40 GHAB CCC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1 4816621 XEQVCSZVGKRZLM-MOPGFXCFSA-N 380.423 3.903 0 40 GHAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)c1ccc(F)c(F)c1 4895005 DHTGRRORKFGWIH-LLVKDONJSA-N 375.400 3.918 0 40 GHAB O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 5015107 ZUONNDIKXLDXKO-UHFFFAOYSA-N 382.363 3.990 0 40 GHAB O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)N1CCCCC1 5060356 DZDXNAZOVIDUED-UHFFFAOYSA-N 390.892 3.528 0 40 GHAB O=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)NC1CCCCC1 5143237 WALCKYNWEDEJPD-UHFFFAOYSA-N 393.516 3.870 0 40 GHAB COc1ccc(NC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)cc1 5269678 OZNFGEFXITXCPF-UHFFFAOYSA-N 391.471 3.850 0 40 GHAB CCOc1ccc(-n2c(SCC(=O)OC)nnc2-c2cccc(C)c2)cc1 5279583 MMYKKPVRXXBRBI-UHFFFAOYSA-N 383.473 3.907 0 40 GHAB COc1ccc(OC)c(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1 5701847 VVYHHFJKJUNFFK-UHFFFAOYSA-N 391.423 3.952 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ncnc3sccc23)c1C 6115592 YUXHGCCIDYOSOU-SNVBAGLBSA-N 375.475 3.786 0 40 GHAB CCn1c(SCC(=O)c2ccccc2)nnc1[C@H](C)NC(=O)c1ccccc1 6226098 ZDYFHVMSAHUYAB-HNNXBMFYSA-N 394.500 3.764 0 40 GHAB O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NCC(F)(F)F 6315999 CQIGUICWNBXBJV-UHFFFAOYSA-N 397.784 3.947 0 40 GHAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 6549675 DHUNTEPXPUASTL-XMMPIXPASA-N 388.467 3.532 0 40 GHAB CCN(CC)C(=O)[C@H](Sc1nncn1-c1cccc(OC)c1)c1ccccc1 6980109 ZMVDUYFCRKSOIF-LJQANCHMSA-N 396.516 3.978 0 40 GHAB Cc1cc(C(=O)Cn2nnc(-c3cccc(Cl)c3)n2)c(C)n1Cc1ccco1 7148935 FOKOBKJVOCPRRL-UHFFFAOYSA-N 395.850 3.936 0 40 GHAB O=C(CN1CCC[C@H]1c1cccs1)N1CCN(c2ccccc2Cl)CC1 7216246 SNAKNURQGRQQSB-SFHVURJKSA-N 389.952 3.887 0 40 GHAB C[C@@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)Nc1ccccc1 7233163 KKXQSBNESWCAEE-OAHLLOKOSA-N 375.428 3.934 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2nc(-c3ccsc3)no2)c1 7242329 GYKXJQCSFVFCNG-LBPRGKRZSA-N 387.461 3.625 0 40 GHAB Cc1ccccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)CC1=O 7881480 KDMANUJJMANUCI-HOCLYGCPSA-N 385.847 3.816 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 7882055 WDXITKGRSOVNTI-QFBILLFUSA-N 394.471 3.802 0 40 GHAB O=C(CSc1nc2ccccc2s1)OCCCn1c(=O)[nH]c2ccccc21 7981336 FUFPYXCKJZJZMB-UHFFFAOYSA-N 399.497 3.665 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(C)c(F)c2)c1C 8259883 JJOLFLXPANVKGN-ZDUSSCGKSA-N 375.396 3.684 0 40 GHAB COc1ccc(CNC(=O)c2cccnc2SCc2c(C)noc2C)cc1 8272581 FQXNRTZIHVFRBG-UHFFFAOYSA-N 383.473 3.917 0 40 GHAB COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)cc1 8487433 PZEORIFGPSWNIS-GBXCKJPGSA-N 398.418 3.776 0 40 GHAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 8706824 WSUWIGJXLICAOJ-GOSISDBHSA-N 381.520 3.969 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 8990622 BIOLJFJNGAYMDZ-SFHVURJKSA-N 389.455 3.861 0 40 GHAB O=C1CC[C@@]2(C(=O)OCc3ccc(-n4cccn4)cc3)Sc3ccccc3N12 9385010 FSCVPTVOQRRROG-NRFANRHFSA-N 391.452 3.545 0 40 GHAB O=c1c2ccccc2nc(CSc2nncn2C2CC2)n1-c1ccc(F)cc1 10649638 CHSWMOJHLAITOA-UHFFFAOYSA-N 393.447 3.744 0 40 GHAB CCn1c(SCC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)nnc1C1CC1 10982792 UFFQXOGTXNHHPT-GOSISDBHSA-N 388.537 3.790 0 40 GHAB Cc1cccc(NC(=O)CSc2ccc(NC(=O)c3ccccc3)nn2)c1 11696288 GBOQNBAHJSWBGW-UHFFFAOYSA-N 378.457 3.768 0 40 GHAB CC[C@@H](C(=O)NCc1noc(-c2ccc(C)cc2)n1)n1cnc2ccccc21 12148352 NWLVUQGLAGZSTK-KRWDZBQOSA-N 375.432 3.662 0 40 GHAB COc1ccc(-c2cc(-c3nn4c(-c5ccncc5)nnc4s3)no2)cc1F 12322538 FZHYEYWBYKYLLN-UHFFFAOYSA-N 394.391 3.718 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)CCCNC(=O)NC1CCCCC1 12816969 VRXOVTGYWWNZKA-UHFFFAOYSA-N 388.537 3.667 0 40 GHAB O=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1N1CCCC1=O 12914185 RYGVQJVOJWCUSL-UHFFFAOYSA-N 378.457 3.513 0 40 GHAB O=S(=O)(NCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCCO2 13041728 IOCMQAGYLNVXEF-UHFFFAOYSA-N 388.272 3.633 0 40 GHAB CCOc1ccc(N2C[C@](O)(c3ccc(OC)cc3)[N+]3=C2CCCCC3)cc1 13799805 FIEGDLPSCLPAEP-QHCPKHFHSA-N 381.496 3.744 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1C(C)C 13995562 BJKIFUHHXFTSCP-UHFFFAOYSA-N 383.315 3.915 0 40 GHAB CSCC[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1nnc2ccccn12 14185652 AKVIRSVILAMGPM-OAHLLOKOSA-N 392.887 3.675 0 40 GHAB Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1NC(=O)c1ccco1 14188353 VNOAZJRDWVHGGE-FQEVSTJZSA-N 391.471 3.873 0 40 GHAB CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)c1 16806453 PFTCSQRPROPSRH-FQEVSTJZSA-N 393.439 3.509 0 40 GHAB CC(=O)Oc1ccccc1[C@@H]1OC(c2nc(Cl)ccc2Cl)=NN1C(C)=O 17198589 UCWAWPNWFSOGBA-KRWDZBQOSA-N 394.214 3.553 0 40 GHAB Cc1ccc([C@H]2C[C@]3(CC(=O)N(c4ccc(Cl)cc4)C3=O)N3CCCN23)cc1 19170019 WEWPSJPNLVNERY-DENIHFKCSA-N 395.890 3.718 0 40 GHAB Cn1nccc1C(=O)NC1CCN(C[C@@H](c2ccccc2)C2CCCCC2)CC1 19289196 RVOWPUJMRRIQEU-QFIPXVFZSA-N 394.563 3.978 0 40 GHAB O[C@@H](c1nccs1)c1cccc(F)c1N1CCN(Cc2ccsc2)CC1 19292781 APQCMMPRQKKKJM-GOSISDBHSA-N 389.521 3.748 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)CC(C)C)C1 19446202 LJNAYLFBFREDJV-QFIPXVFZSA-N 384.545 3.968 0 40 GHAB C[C@H]1Cc2cc(-c3csc(NC(=O)c4cc5c([nH]c4=O)CCC5)n3)ccc2O1 19498248 FEOHFDYHWCVQIV-NSHDSACASA-N 393.468 3.563 0 40 GHAB Cc1nc([C@H]2CCCCN2C(=O)c2ccccc2)ncc1C(=O)N1CCCCC1 19765707 XGPKUZNNKGRDDT-HXUWFJFHSA-N 392.503 3.779 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 19859632 WGNAGMRBFPFPOI-HNNXBMFYSA-N 392.908 3.521 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)NCc3ccccc3)o2)cc1C 19928079 BCUWHFCPMZJXTL-UHFFFAOYSA-N 383.473 3.674 0 40 GHAB Cc1cccc(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(C)(=O)=O)c1 20482352 GANABOLCSIGNLJ-FQEVSTJZSA-N 388.533 3.665 0 40 GHAB COCc1nc2nc(SCc3ccccc3)nn2c(N)c1-c1ccccc1 20676159 KXUKBDBVYCVDDV-UHFFFAOYSA-N 377.473 3.812 0 40 GHAB O=C(NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 21487197 CAXJOVGIZORJDI-UHFFFAOYSA-N 399.494 3.944 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2ccc(C(F)(F)F)cn2)cc1 21637001 SIQUKWDLOQXETI-UHFFFAOYSA-N 397.422 3.598 0 40 GHAB COc1ccc(CN(C)C(=O)c2ccc(CN3CCCCC3)cc2)cc1OC 22510651 XXYMLJLJGFJYBT-UHFFFAOYSA-N 382.504 3.962 0 40 GHAB CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(-n3cncn3)nc2)cc1 24979271 YYTBOIFFKPHQNP-UHFFFAOYSA-N 379.464 3.758 0 40 GHAB CN(Cc1cccc(F)c1)C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 27543288 XFRJCTIXWWUDIZ-UHFFFAOYSA-N 388.398 3.899 0 40 GHAB COc1ccc(NC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1OC(F)F 30925729 NXNYZPJXPFYUCL-JTQLQIEISA-N 398.793 3.707 0 40 GHAB CCOC(=O)C1=C(C)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl 32062235 JIQRTJRFRXOOQE-AWEZNQCLSA-N 379.844 3.864 0 40 GHAB O=C([C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2)N1CCOCC1 32101229 SHRBEIALFVDWKN-OAQYLSRUSA-N 396.531 3.730 0 40 GHAB O=C(NCCCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)c1ccco1 32522790 RRNMNZVTDVKJKS-HNNXBMFYSA-N 397.500 3.806 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nc2ncccc2c(=O)n1CC(C)C 32893287 XFKLRIMRFHZJJT-UHFFFAOYSA-N 396.516 3.795 0 40 GHAB C[C@@H](C(=O)N1CCc2ccccc21)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 32929715 FZGKZHKLNPSOQK-ZDUSSCGKSA-N 397.418 3.598 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccnn1Cc1ccco1 32988098 KBWLIOSWZOBZCW-UHFFFAOYSA-N 389.337 3.532 0 40 GHAB c1cc(-c2nnc3n2[C@@H](CSc2ccc4c(c2)OCCO4)CS3)ccn1 40063056 UZOQGULSTRYQEX-ZDUSSCGKSA-N 384.486 3.550 0 40 GHAB O=C1C[C@H](C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)c2ccccc2N1 40090436 KABFPYYKWOXIQA-HNNXBMFYSA-N 390.361 3.990 0 40 GHAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CC(=O)Nc3ccccc32)s1 40161629 UCBWXVYDBNPHFG-UHFFFAOYSA-N 381.432 3.785 0 40 GHAB COc1ccc(-c2n[nH]c(SCc3cc(=O)c4cccc(F)c4[nH]3)n2)cc1 41108690 KREJSDYVUJAFEP-UHFFFAOYSA-N 382.420 3.753 0 40 GHAB Cc1cc(Br)ccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1 42646259 AWXFBXANZAUYNC-UHFFFAOYSA-N 395.684 3.708 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872213 DKFOCUYQOBXVNU-JOCHJYFZSA-N 382.504 3.765 0 40 GHAB C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(OCc2cccnc2)cc1 45744535 DPWFJITVOGRQDT-OAHLLOKOSA-N 386.448 3.839 0 40 GHAB Cc1c([C@@H](C)NC(=O)c2sc3ncn(C)c(=O)c3c2C)oc2ccccc12 46650523 HHKSCQYHSDJYEP-GFCCVEGCSA-N 381.457 3.849 0 40 GHAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)cs2)cc1 49544905 LBVAXKJFOSTEBL-UHFFFAOYSA-N 391.474 3.779 0 40 GHAB CCCc1nc(-n2cccc2)sc1C(=O)NCc1ccc(OC)c(OC)c1 49545710 LVQSWFYAVTXCNE-UHFFFAOYSA-N 385.489 3.834 0 40 GHAB Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 55150974 JSHMIHINSGOWJM-IRXDYDNUSA-N 378.428 3.853 0 40 GHAB CC(C)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 59471988 IFAWMYJNIMSDFQ-UHFFFAOYSA-N 380.897 3.868 0 40 GHAB CCC(CC)(NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(Cl)cc1 60376152 IGMRSTBTWDQSAF-GFCCVEGCSA-N 390.833 3.882 0 40 GHAB CN(C)[C@H](CNC(=O)Nc1cccc(Oc2cnccn2)c1)c1cccs1 62580159 XBCOVRVHATVWHQ-MRXNPFEDSA-N 383.477 3.755 0 40 GHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(Cl)c3)c2C)c(C)c1 67322271 KOCYTOOQXIPZBA-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB CCOC(=O)C1(NC(=O)Cc2nc(-c3cccs3)oc2C)CCCCC1 71821158 FSYJLPBWZYZWMD-UHFFFAOYSA-N 376.478 3.636 0 40 GHAB O=C(CSc1nnc2c3ccccc3ccn12)c1ccc2c(c1)OCCO2 72408109 RDKJYGSPDSGDQA-UHFFFAOYSA-N 377.425 3.629 0 40 GHAB Cn1cc([C@H]2SCC(O)=Nc3c2cnn3-c2ccc(Cl)cc2F)cn1 79488242 ZHWPJHHOVHMNQX-OAHLLOKOSA-N 377.832 3.823 0 40 GHAB Cc1csc(N2CCN(C(=O)[C@H](Oc3ccccc3)c3ccccc3)CC2)n1 84268471 FZPUJFACBYMPQE-HXUWFJFHSA-N 393.512 3.920 0 40 GHAB COC(=O)C1(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)CCC(C)CC1 84689222 UEOSCBLCZVRXTM-UHFFFAOYSA-N 390.480 3.725 0 40 GHAB CC1CCC2(CC1)NC(=O)N(CCCOc1cccc(C(F)(F)F)c1)C2=O 84689548 LESZKGSKXVRCHP-UHFFFAOYSA-N 384.398 3.975 0 40 GHAB Cc1ccccc1OCC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 89690688 RLDUTFWFXZAZTK-IIBYNOLFSA-N 390.886 3.976 0 40 GHAB Cc1nc(-c2cccs2)sc1CNC(=O)COc1ccc2c(c1)OCO2 90592651 LSPSXGXYMCCBSZ-UHFFFAOYSA-N 388.470 3.604 0 40 GHAB O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H](c1ccccc1)C1CC1 95451795 FQNBYNQCWUKTSQ-HKUYNNGSSA-N 393.405 3.755 0 40 GHAB CN(C)C(=O)C1(CNC(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCCC1 95959323 WADFCFRPQBXXOZ-UHFFFAOYSA-N 375.366 3.615 0 40 GHAB Cc1n[nH]c2ncc(NC(=O)[C@@H]3CCn4c(cnc4C4CCCCC4)C3)cc12 95993151 XXMWIGFKHCDIET-OAHLLOKOSA-N 378.480 3.712 0 40 GHAB C[C@H](NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 102173138 XQLHWZOQIZDHBW-PWNZVWSESA-N 381.505 3.539 0 40 GHAB CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1OC)c1ccccc1 107488727 HLGZFWXLSWKBHX-CQSZACIVSA-N 384.295 3.887 0 40 GHAB O=C(c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)N1CCC[C@@H](O)C1 108774393 NRUCGXYGHYBUAF-OAHLLOKOSA-N 383.835 3.654 0 40 GHAB COc1ccc2c(C)c(CCC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c(=O)oc2c1 108984374 YLRBYWKHHMIZQV-OLPIVMHESA-N 383.488 3.984 0 40 GHAB COc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)c1 136690196 YJOPDXUYJOWQAJ-JSNMRZPZSA-N 390.439 3.649 0 40 GHAB COc1ccc(CN(C(=O)C(C)C)[C@H](C)C(=O)NCc2ccc(C)cc2)cc1 222984819 JARSQGJGSYSBLX-GOSISDBHSA-N 382.504 3.693 0 40 GHAB Cc1ccc(CS(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1 223627090 NVNAOFQEQKQISI-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB Cc1cccc(CS(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 223640571 AKNOHMBVXCZIPO-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 223672200 FMECACPWVOFNKD-WOJBJXKFSA-N 398.532 3.534 0 40 GHAB CCOCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 225574790 VWUULEFBMRBREV-UHFFFAOYSA-N 387.451 3.928 0 40 GHAB C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccccc3)n2)C1 225929603 XJSSSMJCWAVBIC-CYBMUJFWSA-N 375.929 3.853 0 40 GHAB CCc1ccc(C(=O)NC(=S)Nc2cc(OC)c(C(=O)O)cc2Cl)cc1 226354770 PFILLYKIJDVJAI-UHFFFAOYSA-N 392.864 3.736 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(Cc2cccnc2)C2CC2)[C@@H]1c1ccc(C)cc1 257227816 FRBBJNFJSBPYTO-GGAORHGYSA-N 391.515 3.881 0 40 GHAB O=C(Cn1ccnc1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257299260 RPIPKXIDFBGMKR-INIZCTEOSA-N 384.867 3.522 0 40 GHAB O=C(NCc1ccccn1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257337791 YUKKQUFFPRNNOE-UHFFFAOYSA-N 387.483 3.799 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 260588524 KJLUTYSOUXXFMG-MSOLQXFVSA-N 388.533 3.644 0 40 GHAB COc1ccccc1-c1cnc2n1C[C@@]1(CCN(Cc3scnc3C)C1)C2 306124387 BOFBTERMWXMKJC-NRFANRHFSA-N 380.517 3.772 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)N1CCCCC1 408625218 RLGUJVSNQQVLJF-QGZVFWFLSA-N 386.517 3.661 0 40 GHAB Cc1cc(C)cc(N([C@@H](C)C(=O)NC2CCCCCCC2)S(C)(=O)=O)c1 408628587 ZCFLCJLQPKCXRK-KRWDZBQOSA-N 380.554 3.687 0 40 GHAB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)NC1=S 409007427 QAMLYHWAWQNSCX-BOPFTXTBSA-N 382.485 3.660 0 40 GHAB C[C@H](NC(=O)N1CCC[C@H](n2ccnc2)C1)c1ccc(OC(F)(F)F)cc1 590850544 RKRBVKFWEAMPGF-ZFWWWQNUSA-N 382.386 3.889 0 40 GHAB CCc1nc2ccc(NC(=O)N[C@@H]3CCO[C@H]3c3ccc(OC)nc3)cc2s1 623091450 CHFAGGCGFIXNEH-BEFAXECRSA-N 398.488 3.914 0 40 GHAB C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)C1 623208238 NNTZQYKUWRLJCO-KYJSFNMBSA-N 396.539 3.648 0 40 GHAB COCCN1CCCCCCN[C@@H](CC(C)C)COc2ccccc2C1=O 643573808 XYGQHHGISJQWFZ-IBGZPJMESA-N 376.541 3.732 0 40 GHAB O=C(Nc1nc2ccc(F)cn2n1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 674751814 MVELSMQNHKRWED-UHFFFAOYSA-N 398.401 3.973 0 40 GHAB O=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc(F)cc1)c1cccs1 675031789 NMVHBRTWABVTAC-UHFFFAOYSA-N 380.249 3.695 0 40 GHAB C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)C2=C(c3ccccc3)CCCC2)C1 1587859375 LQLIPAOXQXFASD-IBGZPJMESA-N 380.410 3.684 0 40 GHAB O=C(c1cccc(-n2cccn2)c1)N1CCC(c2ccc3cccnc3n2)CC1 1888930553 DWFWMOVABKEWJX-UHFFFAOYSA-N 383.455 3.835 0 40 GHAB COC(=O)c1sccc1Oc1ccc(NS(=O)(=O)CC(F)(F)F)cc1 8857283 LFEBQSVMPSKFQK-UHFFFAOYSA-N 395.380 3.631 0 40 GHAB NC(=O)NCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 78820594 MVGBPWQCPAETHO-UHFFFAOYSA-N 396.878 3.734 0 40 GHAB COc1ccc([C@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc(OC)c(OC)c2)cc1OC 2048937 PEUUVVGQIVMSAW-NLZGTENKSA-N 386.444 3.796 0 40 GHAB COc1cc(OC)c(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 4870475 XFUWJTKKTVVTAO-ZDUSSCGKSA-N 397.427 3.930 0 40 GHAB COc1cccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)c1 6840367 AWIXNYROLACKJI-UHFFFAOYSA-N 383.473 3.754 0 40 GHAB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 6971042 WKAQULWBYOPIAR-MHWRWJLKSA-N 393.786 3.661 0 40 GHAB COc1cc(SC)ccc1C(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 6975942 XRJBMHGVYLYMKM-UHFFFAOYSA-N 384.501 3.582 0 40 GHAB O=C(NCc1ccc(F)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 7318964 RPWDFNFAUIKMBI-UHFFFAOYSA-N 375.403 3.982 0 40 GHAB COc1ccc(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1F 8030622 BUVRNZHAOFGMAA-UHFFFAOYSA-N 399.249 3.781 0 40 GHAB Cc1ccc(C)c(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)c1 8412525 YNINKXOLNFQNNM-UHFFFAOYSA-N 382.460 3.903 0 40 GHAB Cc1cc(C)cc(OCCN(C)C(=O)/C=C/c2cc3ccccc3[nH]c2=O)c1 24749066 NPWXQGSYPFMEBC-CMDGGOBGSA-N 376.456 3.696 0 40 GHAB COc1ccc(OC)c(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 9061669 BUQSXJGCDCORFA-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB Cc1cc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)n(C)n1 43432732 KAVAFWKUBOPPOB-CQSZACIVSA-N 396.278 3.670 0 40 GHAB CCN(CC)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 22275319 XWZMVLCXDSRKKY-UHFFFAOYSA-N 388.533 3.676 0 40 GHAB O=C(C1CC1)N1CCC(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1 25898263 VNLSZLSIYDCOKS-OAQYLSRUSA-N 394.540 3.871 0 40 GHAB CCOC(=O)c1ccsc1NC(=O)CNc1ccc(Br)cc1 12527685 BXCUEMHLDUTTHQ-UHFFFAOYSA-N 383.267 3.738 0 40 GHAB Cc1ccc(F)cc1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 57291639 XQLMGLHATONNDT-UHFFFAOYSA-N 395.400 3.914 0 40 GHAB CCn1c(CNC(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)nc2ccccc21 12506909 FZTOVSIJLHNQCB-BQYQJAHWSA-N 383.835 3.768 0 40 GHAB Cn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nc2ccsc2c1=O 8993895 YCHSAWIJGQLSKB-UHFFFAOYSA-N 390.877 3.991 0 40 GHAB CCOc1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22381157 JSMSMOFEVNJCDV-UHFFFAOYSA-N 390.505 3.613 0 40 GHAB O=C(CCC(=O)c1cccs1)NC[C@@H]1CCCN(Cc2cccs2)C1 58180872 UDJMEIDAHZSWSN-HNNXBMFYSA-N 376.547 3.801 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)c2ccccc2)cc1 27691839 OSRXWSQCLJVRTP-FXAWDEMLSA-N 388.533 3.565 0 40 GHAB O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@H]1COc2ccccc2O1 12788862 PTFKOOUQSVEVOE-FGZHOGPDSA-N 385.423 3.609 0 40 GHAB O=C(CN1CCCC1=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 12780532 ROQROJGGLMRDRW-UHFFFAOYSA-N 389.249 3.802 0 40 GHAB CC(C)c1ccc(CN(C)C(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1 10362089 KTHYBLNQGCSWNC-UHFFFAOYSA-N 389.521 3.523 0 40 GHAB Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)Nc1ccc2cc[nH]c2c1 72403502 KDLYYRRPKHCSDH-UHFFFAOYSA-N 387.439 3.856 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)N[C@@H]1COc2ccccc21 58577569 QVFFQOFQZDIAMM-HXUWFJFHSA-N 376.460 3.764 0 40 GHAB Cc1[nH]c2ccc(C(=O)Nc3cccc(CN4CCN(C)CC4)c3)cc2c1C 48365872 AZGXYCCWQBXZJH-UHFFFAOYSA-N 376.504 3.784 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(c1nncs1)C3=O 2420145 VWMXXFKSRUANLM-MRXNPFEDSA-N 393.399 3.842 0 40 GHAB CC[C@H](CNC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1ccccc1 11403298 BTYDXXCUGLARTK-MRXNPFEDSA-N 379.460 3.988 0 40 GHAB COc1ccc(-n2nnn(CN3CCC(Cc4ccccc4)CC3)c2=S)cc1 2648785 NWBMRFYPGJVNMY-UHFFFAOYSA-N 395.532 3.719 0 40 GHAB O=C1OCC[C@@H]1Sc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 2659840 SNOWLPSRSYRBTA-INIZCTEOSA-N 386.860 3.506 0 40 GHAB CC(C)c1noc(COC(=O)c2csc(COc3ccc(F)cc3)n2)n1 37170251 LYNJCTBPWCAQHM-UHFFFAOYSA-N 377.397 3.725 0 40 GHAB Cc1cccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 12982252 FUZPKIULJCKZFG-UHFFFAOYSA-N 392.425 3.560 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)NCCCc2nc(C)cs2)c(OC)c1 84268264 KOXPAQCTLWZDHJ-KRWDZBQOSA-N 389.521 3.948 0 40 GHAB O=C(CSc1nnc(Nc2ccccc2Cl)s1)NCc1ccco1 9154646 GISCAHRRZLBHBL-UHFFFAOYSA-N 380.882 3.937 0 40 GHAB COc1cccc(OCc2nn3c(-c4ccc5ccccc5n4)nnc3s2)c1 13723156 BAAKSRSUIXJVLJ-UHFFFAOYSA-N 389.440 3.989 0 40 GHAB O=C(CSc1nccn1-c1cccc(F)c1)N1CCC(c2ccccc2)=N1 5174816 GQFOQCYMFJTGBP-UHFFFAOYSA-N 380.448 3.740 0 40 GHAB COc1ccccc1CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 6288642 BDWZDXOJAAAQQR-OAQYLSRUSA-N 388.467 3.873 0 40 GHAB O=C(NCCC1=CCCCC1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5438724 MWUXIQWYGNRYCP-UHFFFAOYSA-N 396.940 3.890 0 40 GHAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2c(F)cccc2Cl)cc1 5559947 YDOMIUDBVFXRJX-KRWDZBQOSA-N 389.814 3.754 0 40 GHAB O=C(Nc1ccncc1)c1nn(Cc2ccccc2Cl)c(=O)c2ccccc12 4710748 MWFCUAYFLROMPW-UHFFFAOYSA-N 390.830 3.746 0 40 GHAB COC(=O)c1ccc(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)cc1 6796851 PVTCZMUOBKMAIW-UHFFFAOYSA-N 393.468 3.969 0 40 GHAB Cc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@H](c3ccccc3)C2=O)cc1 6754899 PDRMMGFHSMEUPX-JOCHJYFZSA-N 385.419 3.980 0 40 GHAB COc1ccc(CCCN(C)S(=O)(=O)c2cc(C)ccc2C)cc1OC 9314441 PHOBXAKROURURP-UHFFFAOYSA-N 377.506 3.574 0 40 GHAB CC1CCN(C(=O)CSc2nc3sccc3c(=O)n2-c2ccccc2)CC1 6907569 PTNIKUAFXSALOV-UHFFFAOYSA-N 399.541 3.798 0 40 GHAB COc1cccc(-n2nnc(C(=O)NCc3ccccc3C)c2-c2ccncc2)c1 67261796 OQNRGIGDMJSHQD-UHFFFAOYSA-N 399.454 3.576 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)N[C@H](C)c2ccccc2)nc2cc(C)[nH]c2c1=O 67299552 IIBATPGHLWQKCK-HUUCEWRRSA-N 398.532 3.974 0 40 GHAB COC(=O)Nc1ccc(OC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1 67202700 FHUQHMVCWAGEDH-OAHLLOKOSA-N 378.425 3.560 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)N[C@H](C)c2ccc(F)cc2F)n1C 7236456 ZQELLGMBVACEJK-SNVBAGLBSA-N 392.431 3.631 0 40 GHAB CCOc1cccc2cc([C@H](C)NC(=O)CNC(=O)c3ccc(F)cc3)oc12 9499202 VCLOPULNPAYNDC-ZDUSSCGKSA-N 384.407 3.578 0 40 GHAB CCCN(CCC)C(=O)Cn1cc(-c2nc(-c3cccc(C)c3)no2)ccc1=O 67289450 IDBJCDDTOZBSKH-UHFFFAOYSA-N 394.475 3.522 0 40 GHAB CS(=O)(=O)c1cc(C(=O)NCCCn2ccc3ccccc32)ccc1Cl 15743507 WJOKNNNPRLBVRK-UHFFFAOYSA-N 390.892 3.518 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 7477749 KJOHSEZUARUWRS-YJLNNSPDSA-N 383.492 3.729 0 40 GHAB CC(C)COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 7610814 LROXBTYRSUUDEB-IBGZPJMESA-N 396.487 3.883 0 40 GHAB O=C(NCc1ccccn1)c1cc(Br)c(Br)s1 7737668 HGNYHYCVRQXKCL-UHFFFAOYSA-N 376.073 3.598 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)c1 8058897 QYNKAZUUTALCLB-INIZCTEOSA-N 381.881 3.883 0 40 GHAB O=C(C[S@](=O)Cc1csc(-c2ccc(F)cc2)n1)NCc1cccs1 71801142 XDOCASTUVZSXOF-VWLOTQADSA-N 394.518 3.576 0 40 GHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)OCO2 8180465 XTGLTYXTSUTNNN-UHFFFAOYSA-N 390.395 3.576 0 40 GHAB CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)c1 16753563 KPVKVSLARFAYRT-HXUWFJFHSA-N 393.439 3.509 0 40 GHAB COc1ccc([C@@H]2CCN(c3ccccc3S(=O)(=O)C(F)(F)F)C2)cc1 60339015 DAXMAUGUZYTSEY-CQSZACIVSA-N 385.407 3.983 0 40 GHAB Cc1ccc(-c2noc(CNc3cc4c(cc3Cl)NC(=O)CO4)n2)cc1F 71804906 QMFWZQRBOQOUHM-UHFFFAOYSA-N 388.786 3.781 0 40 GHAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8369092 KQDGXOBISKRVBT-IBGZPJMESA-N 377.440 3.987 0 40 GHAB CCCCc1ccc(CC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1 8393396 XMHKFSJLDIGRPE-UHFFFAOYSA-N 375.490 3.710 0 40 GHAB O=C(CSc1nnc(-c2ccco2)o1)Nc1nnc(-c2cccs2)s1 8383001 HXLKGBDPMNYWIN-UHFFFAOYSA-N 391.459 3.640 0 40 GHAB COCCn1c(C(=O)NCCn2cnc3ccccc32)cc2cc(Cl)ccc21 95472685 HIVIWSJPPGSQMP-UHFFFAOYSA-N 396.878 3.721 0 40 GHAB CCc1noc(CC)c1CC(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 87386174 PHECHRMWUGERMP-AWEZNQCLSA-N 375.444 3.711 0 40 GHAB Cc1nc(C(=O)Nc2ccc(-c3ccccn3)cn2)nn1-c1ccc(Cl)cc1 95977618 YROLBTMGSFLYJG-UHFFFAOYSA-N 390.834 3.938 0 40 GHAB O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N(Cc1ccccc1)CC(F)(F)F 95954185 KPVYFCAIGKEDLX-KRWDZBQOSA-N 380.341 3.910 0 40 GHAB COc1cccc(CC(=O)O[C@H](C)c2nc3ncc(Br)cc3[nH]2)c1 95960078 AQKXSPBGVAWDDD-SNVBAGLBSA-N 390.237 3.576 0 40 GHAB COC(=O)c1cc2cc(NS(=O)(=O)c3ccc(OC)c(C)c3)ccc2s1 20029912 ZEJJNVZWWRZMGH-UHFFFAOYSA-N 391.470 3.806 0 40 GHAB CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 409410835 QYIPVKDLHYYWFI-UHFFFAOYSA-N 380.897 3.897 0 40 GHAB COc1cccc2cc(C(=O)OCc3cc(Cl)c4c(c3)OCO4)c(=O)oc12 25050308 QZZUEFDEUYZRRG-UHFFFAOYSA-N 388.759 3.541 0 40 GHAB COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nccc12 36708184 OIZVIHSNFDTVFV-UHFFFAOYSA-N 382.441 3.745 0 40 GHAB Cc1cncc(C(=O)N2Cc3cn(-c4ccccc4)nc3-c3ccn(C)c3C2)c1 306126370 DTPWKHLMKJDDQD-UHFFFAOYSA-N 383.455 3.737 0 40 GHAB Cc1sc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C 6668731 VYCYSNJZIZBKOA-UHFFFAOYSA-N 392.424 3.578 0 40 GHAB CCn1[nH]c(=NC(=O)C2(c3ccc(OC)c(OC)c3)CCCC2)cc1C1CC1 539660327 NQXGAWNESUYVJN-UHFFFAOYSA-N 383.492 3.670 0 40 GHAB O=C(c1sc2ccccc2c1[C@@H]1CCN(c2cccnc2)C1)N1CCOCC1 72355983 OYTGHBGGFWOPPD-MRXNPFEDSA-N 393.512 3.763 0 40 GHAB COc1ccc(S[C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1OC 30754811 DAHOMEWMXMVCJS-OAHLLOKOSA-N 397.500 3.687 0 40 GHAB O=C(CSc1nc2ccccc2o1)N1CCC(c2nnc(C3CC3)o2)CC1 38518624 ZRWAWVWVGRJCCU-UHFFFAOYSA-N 384.461 3.587 0 40 GHAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@@H](C)c3ccn(C)n3)c12 36614223 HGHTURAXFSCPCH-NSHDSACASA-N 379.395 3.562 0 40 GHAB C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccnc(C2CC2)n1 561070261 XMMHMEHQFHOEPU-SJCJKPOMSA-N 391.393 3.975 0 40 GHAB CC(C)CN1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72216406 WTXMHDSPRSBBJI-IBGZPJMESA-N 388.556 3.932 0 40 GHAB CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 216271654 FXXFSANMXZQLBP-UHFFFAOYSA-N 380.897 3.979 0 40 GHAB COc1cc(-c2ncc(C(=O)O)c(Nc3ccccc3)n2)cc(OC)c1OC 49469673 OCBDAEPNDFPVGZ-UHFFFAOYSA-N 381.388 3.611 0 40 GHAB O=C1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)Oc2c(Cl)cccc21 225828108 JWEMBWGCMJHGSS-UHFFFAOYSA-N 399.830 3.709 0 40 GHAB CCN(CC)C(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 222682270 MGFLQBONNSBNTH-UHFFFAOYSA-N 388.533 3.752 0 40 GHAB COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)c(Cl)c1Cl 223852346 ZEXYIFFHQTXZSW-UHFFFAOYSA-N 378.252 3.662 0 40 GHAB COc1cccc(CCCNC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)c1 44846545 WQZWNQRCPKHQJW-HNNXBMFYSA-N 389.517 3.942 0 40 GHAB CN1Cc2ccc(NC(=O)C[C@@H](CC(=O)O)c3ccc(Cl)cc3)cc2C1=O 223106481 JNKUVZNULLAOFO-AWEZNQCLSA-N 386.835 3.513 0 40 GHAB O=C(O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225045626 SCCDLRTWGDCCAI-UHFFFAOYSA-N 375.833 3.773 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C 222444590 VELCRTCVWQCHTF-SFHVURJKSA-N 384.545 3.700 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc1OC 223097622 AOZAOCPSZLSQAA-ZIAGYGMSSA-N 392.455 3.627 0 40 GHAB CC(C)CNC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224328030 DISAHYQNUIZJPQ-UHFFFAOYSA-N 380.897 3.551 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](O)c1csc2ccccc12 225696295 BVHVVDLRMPFXPN-MRXNPFEDSA-N 391.514 3.539 0 40 GHAB O=C1CCCN1c1ccc(NC(=S)NCCOc2ccccc2Cl)cc1 225780428 MAIZSVBHAIKVPE-UHFFFAOYSA-N 389.908 3.832 0 40 GHAB CCC(=O)O[C@H](O[C@@H](C(=O)O)[P@@H](=O)CCCCc1ccccc1)C(C)C 95830679 LIEAASLUJOIEEI-RTBURBONSA-N 384.409 3.932 0 40 GHAB COc1cccc(C(=O)N2CCC(C(=O)Nc3cc(C)ccc3OC)CC2)c1 242551879 CBPKNEHZSQPCES-UHFFFAOYSA-N 382.460 3.503 0 40 GHAB Cc1nc(CO[C@H]2CSC3(C2)CN(C(=O)c2ccc(F)cc2)C3)cs1 248063465 WJKCLYUODYDNQT-MRXNPFEDSA-N 378.494 3.508 0 40 GHAB O=C(c1ncc[nH]1)N1CC[C@@H](Nc2cccc(F)c2)[C@@H](Cc2ccccc2)C1 257263005 LNYDFDFQTLEORG-FXAWDEMLSA-N 378.451 3.734 0 40 GHAB CCOC(=O)c1cc(NC(=O)c2cnn(CC(F)(F)F)c2)ccc1Cl 615720465 OUKTXVSHHAUUQK-UHFFFAOYSA-N 375.734 3.528 0 40 GHAB CCc1c[nH]c2ncnc(NC[C@@H](O)COc3cccc(Cl)c3Cl)c12 1655032990 CKVMIQAVTLTPCW-LLVKDONJSA-N 381.263 3.679 0 40 GHAB CCn1c(CN2CC[C@](C)(c3cccc(OC)c3)C2)nc2cc(C(=O)O)ccc21 656765064 IKYSJOIIXYSUOF-QHCPKHFHSA-N 393.487 3.927 0 40 GHAB CCc1cnc(CCNC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)s1 664245407 PTBKNXHQIZZINR-UHFFFAOYSA-N 383.517 3.898 0 40 GHAB CC(C)c1ccc(-c2csc(NC(=O)N[C@@]3(C)CCS(=O)(=O)C3)n2)cc1 575426789 ZXEHXYLIEDJJBN-SFHVURJKSA-N 393.534 3.632 0 40 GHAB Cc1cnc(Nc2cccc(CC3CCN(C(=O)[C@@]4(C)CCCN4)CC3)n2)s1 585263275 AEGJWMONHMZOIY-OAQYLSRUSA-N 399.564 3.513 0 40 GHAB O=C(/C=C/c1cnc[nH]1)N1CCC(c2csc(Nc3ccc(F)cn3)n2)CC1 585290327 AIVONUMVBAMDIA-DUXPYHPUSA-N 398.467 3.563 0 40 GHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(C(F)(F)F)nc1 511203504 SUELCUOCHXGVLV-UHFFFAOYSA-N 395.772 3.511 0 40 GHAB N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)NC(N)=O 7099064 UHVVKPJHWWLQGC-PDGQHHTCSA-N 394.434 3.945 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 5439257 CNKXGFGXFUZIEE-UHFFFAOYSA-N 378.881 3.831 0 40 GHAB C[C@@H](NC(=O)C1(c2ccccc2)CCCCC1)c1nc(-c2ccncc2)n[nH]1 12144629 UENSZKTYRNSWCH-MRXNPFEDSA-N 375.476 3.946 0 40 GHAB C[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1ccc2cccc(Cl)c2n1 12147975 FXBYNMQPQOVQIR-AWEZNQCLSA-N 384.863 4.000 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)OCc3cc(-c4cccs4)on3)CC2=O)cc1 12727098 SYALYIVZWPJVMS-CQSZACIVSA-N 382.441 3.808 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(C(=O)O)c1 13276545 OBQFSNMSYIMGLU-UHFFFAOYSA-N 383.853 3.861 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 15992182 ZJMXXKYBJBSXHQ-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB CN(Cc1nc(N2CCCC2)ncc1-c1ccncc1)C(=O)c1ccccc1F 19586359 MKNMWDOJGMYBGP-UHFFFAOYSA-N 391.450 3.550 0 40 GHAB Cc1nn(C)cc1C(=O)N1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 19688314 ACOGJXDGJJOUFP-IBGZPJMESA-N 392.478 3.873 0 40 GHAB O=C(c1ccc(O[C@@H]2CC2(F)F)cc1)N1CCC(c2ncc(Cl)cn2)CC1 606445104 YNWAFSCTCNGFEH-MRXNPFEDSA-N 393.821 3.936 0 40 GHAB CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(Cc2cccc(F)c2)C1 19573306 NTHNDCNIQKTYSG-AWEZNQCLSA-N 382.888 3.657 0 40 GHAB Cc1ccccc1-c1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)n1C 5861798 NWBZZWFSJPNJAC-ZDUSSCGKSA-N 377.473 3.880 0 40 GHAB COC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)s1 11181252 YPFOFNWJMIPZMF-UHFFFAOYSA-N 385.420 3.601 0 40 GHAB CC(=O)Nc1ccc(C(=O)N2CCC(COc3ccncc3Cl)CC2)cc1 1889186999 WILVTUVHOLXMPH-UHFFFAOYSA-N 387.867 3.625 0 40 GHAB Cc1nn(C)c2sc(C(=O)NCCc3ccc(Br)s3)cc12 14419281 ZFGRMQGFOFWUHJ-UHFFFAOYSA-N 384.324 3.740 0 40 GHAB COc1ccc(NC(=O)c2ccc(OCC3CCOCC3)nc2)cc1Cl 245108414 SWIXVKPMJCSOEL-UHFFFAOYSA-N 376.840 3.801 0 40 GHAB CCOC(=O)c1cnn(-c2ncnc3sc(C)c(-c4ccc(F)cc4)c23)c1N 4278818 ATTGOEPXPBHONB-UHFFFAOYSA-N 397.435 3.750 0 40 GHAB O=C(c1ccc(=O)n(Cc2c(F)cccc2Cl)c1)N1CCc2ccccc21 10187879 GNMPICWNSKWMHM-UHFFFAOYSA-N 382.822 3.892 0 40 GHAB COc1nn(C)cc1-c1nnc(SCc2cccc(C(F)(F)F)c2)n1C 12422578 RVNYXMFOFUETOL-UHFFFAOYSA-N 383.399 3.535 0 40 GHAB Cc1nnc2n(CCOc3ccc(C(C)(C)C)cc3)c3ccccc3n2c1=O 15106040 CDHDMYQSIGJRHG-UHFFFAOYSA-N 376.460 3.729 0 40 GHAB O=c1[nH]c(SCc2nc(-c3ccccc3Cl)no2)nc2ccsc12 16842914 QCDJAJPVXCIMOI-UHFFFAOYSA-N 376.850 3.980 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 23140452 FSOHRANZZBGFHZ-LBPRGKRZSA-N 398.444 3.938 0 40 GHAB COc1cccc(-c2cc(C(=O)N3CC[C@H](n4cnc5ccccc54)C3)n[nH]2)c1 575616389 JFDWUNNFVLTSMZ-INIZCTEOSA-N 387.443 3.522 0 40 GHAB CC[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccccc1Br 13572085 QEVBGUNFCUKENM-LLVKDONJSA-N 392.282 3.625 0 40 GHAB O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)CC1 22241022 KYYRINIVQYRPIS-RDJZCZTQSA-N 390.474 3.856 0 40 GHAB NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 831505 DIVUDKPMYCEHMG-UHFFFAOYSA-N 379.272 3.819 0 40 GHAB CCc1nc(C)c2c(C)c(C(=O)N3CCN(C)C[C@H]3c3ccccc3)sc2n1 30030728 HSGNBSUCPMOGFD-KRWDZBQOSA-N 394.544 3.999 0 40 GHAB Cc1cc(C)n2nc(CC(=O)N[C@@H](c3ccc(C(C)C)cc3)C(C)C)nc2n1 40131335 CVYJZTIGRKWUMY-OAQYLSRUSA-N 379.508 3.921 0 40 GHAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-n3cccn3)c(F)c2)CC1 40150940 UENYKHHQKMMTLE-UHFFFAOYSA-N 388.443 3.597 0 40 GHAB CNS(=O)(=O)c1ccc(-c2cccs2)c(C(=O)NC2CCC(C)CC2)c1 40144234 UXXJRZMNJHUHSV-UHFFFAOYSA-N 392.546 3.632 0 40 GHAB CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 101643094 NPKSRRLHKRFYKA-DEOSSOPVSA-N 383.451 3.626 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1C 32771261 IQLKSZKKSLPIFZ-LJQANCHMSA-N 377.481 3.822 0 40 GHAB COc1ccccc1OCCNC(=O)c1ccc(COc2ccc(F)cc2)o1 32999730 FANFPYUNWDZVDK-UHFFFAOYSA-N 385.391 3.815 0 40 GHAB Cc1ccc(/C=C/C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(N)=O)cc1 673409 CDTTYHRVVMNVHY-MDZDMXLPSA-N 386.473 3.681 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)c3cccnc3)cc2c1 1359336 DHICXDLYWFHADY-UHFFFAOYSA-N 398.466 3.723 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)NC2CCCC2)n1-c1ccccc1 1361189 XVDNRIDLUJGRGT-UHFFFAOYSA-N 382.489 3.987 0 40 GHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 1703575 MRXSHMNNKVMOCU-JCGIZDLHSA-N 382.526 3.946 0 40 GHAB CN(C)C[C@@H](CC[C@H](CN(C)C)C(=O)c1ccccc1)C(=O)c1ccccc1 2312761 HIDLIUDTNBBUQM-FGZHOGPDSA-N 380.532 3.888 0 40 GHAB CCCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2cc(Br)ccc21 2493068 BSLYLWIECQNCLE-KRWDZBQOSA-N 394.290 3.728 0 40 GHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)nc1 2726468 KCWDNQXLBULTCK-UHFFFAOYSA-N 385.773 3.843 0 40 GHAB Clc1ncn(C23C[C@H]4C[C@H](CC(c5nnc(-c6ccccn6)o5)(C4)C2)C3)n1 2803330 NTUHJLXLSWUPTE-NFAYLAGKSA-N 382.855 3.624 0 40 GHAB O=C(NCc1ccccn1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3133279 CJSNCPMJQSNXCQ-UHFFFAOYSA-N 380.757 3.870 0 40 GHAB CCOC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc(C)c1C 3266677 UYALLXWKEKJHQP-UHFFFAOYSA-N 385.445 3.502 0 40 GHAB CC1(C)Cc2c(sc(NC(=O)c3c(F)cccc3F)c2C(N)=O)C(C)(C)N1 4281195 RGTNFTZKNRUPSA-UHFFFAOYSA-N 393.459 3.537 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2C)cc1 4691071 NTCKRKKHQHBMNJ-UHFFFAOYSA-N 398.488 3.539 0 40 GHAB COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc(Cl)c1OC(C)=O 4836825 SZDLYLGREXQZOY-SXGWCWSVSA-N 385.803 3.927 0 40 GHAB CC(C)(CO)NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 4844745 WVQIFMIIZRUFIN-CQSZACIVSA-N 381.303 3.823 0 40 GHAB Cn1nc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c2ccccc2c1=O 4902686 MOBIIFGXWOZTGA-UHFFFAOYSA-N 396.878 3.830 0 40 GHAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccccc3Br)C2)n1 4968006 BDQJXNOAJBTDIH-AWEZNQCLSA-N 389.297 3.711 0 40 GHAB C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)cc1 5274454 VCDROTZKUUDCHO-LPHOPBHVSA-N 398.503 3.906 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 5319808 YVOZIQVIPGFMFV-UHFFFAOYSA-N 395.484 3.568 0 40 GHAB O=C(CSc1ccc(C(F)(F)F)cn1)N1CCN(c2ccccc2)CC1 5701234 OYXGPCHRQIYYLB-UHFFFAOYSA-N 381.423 3.541 0 40 GHAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1cc(Cl)c(Cl)cc1Cl 6231351 KUNYNLJKSUARMZ-UHFFFAOYSA-N 398.637 3.640 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCC(=O)c2ccccc2)n1C 6451496 GZCMCFAWBHMVPO-HNNXBMFYSA-N 394.500 3.590 0 40 GHAB CCOC(=O)C1=C(CSc2ccc(F)cc2)NC(=O)N[C@@H]1c1cccs1 6497391 ZLNOKZAYYCPBPS-MRXNPFEDSA-N 392.477 3.851 0 40 GHAB CCC(=O)c1ccc(OCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1 6876362 NBLMOWWETLHYIM-UHFFFAOYSA-N 386.536 3.963 0 40 GHAB Cc1ccccc1-c1cc(C(F)(F)F)c2c(=O)[nH]c(=O)n(CC(C)C)c2n1 7007581 MWDDURMWXCRYKV-UHFFFAOYSA-N 377.366 3.735 0 40 GHAB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccccc1F 7468847 FYHDLXUEOBLAEV-SFQUDFHCSA-N 395.434 3.638 0 40 GHAB COc1ccc(NC(=O)CN(C)[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1 8093033 PWONRXKWMSMUJE-OAHLLOKOSA-N 379.460 3.627 0 40 GHAB CN(C(=O)COC(=O)c1ccc2ncsc2c1)[C@@H]1CCCc2ccccc21 8538312 RJPPBRCBQAOWFY-GOSISDBHSA-N 380.469 3.989 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(SCc3cc(F)ccc3OC)nnc12 8721051 YBSMIQATTKTRCI-UHFFFAOYSA-N 398.463 3.894 0 40 GHAB Cc1ccc(C)c(OCCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 9313698 YJJACZFIICUWCV-UHFFFAOYSA-N 393.487 3.579 0 40 GHAB COc1ccc(Cc2nnc3sc(-c4ccc(N(C)C)cc4)nn23)cc1OC 10311784 GPAVJEUKUITKQZ-UHFFFAOYSA-N 395.488 3.527 0 40 GHAB CCOc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12748676 MTHAHAZVHYTJDR-QZEGLACASA-N 378.472 3.976 0 40 GHAB CCc1noc(C)c1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 12953232 ZYWGCJYTLQKAAH-UHFFFAOYSA-N 399.472 3.623 0 40 GHAB CN(C)C1(CNC(=O)CCC(=O)c2ccc(Br)cc2)CCCCC1 14165325 IIKNWWLCTUTBQB-UHFFFAOYSA-N 395.341 3.793 0 40 GHAB O=C(NCCc1ccc(-n2cccn2)cc1)c1cc(F)ccc1Br 14417004 GPRONIPBCYYVIR-UHFFFAOYSA-N 388.240 3.746 0 40 GHAB C[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 15198524 TXRJRAQOKLFLMO-LBPRGKRZSA-N 383.922 3.713 0 40 GHAB CC(C)[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc2c(c1)OCCO2 15817594 NQBMTCGRWOGDQG-UXHICEINSA-N 387.863 3.928 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc21 15867570 KUPJHIHMTFGDQO-UHFFFAOYSA-N 391.880 3.929 0 40 GHAB C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc(F)cc1F 16493469 TZSSVFQTANQIAB-SNVBAGLBSA-N 391.399 3.687 0 40 GHAB O=C(Cn1nc(-c2ccccc2)n(-n2cccc2)c1=S)Nc1cccc(F)c1 16777782 VNVYQYHBVJHHIF-UHFFFAOYSA-N 393.447 3.972 0 40 GHAB CCc1nn(CC(=O)Nc2ccc(C)c(Cl)c2)c(=S)n1-n1cccc1 16777806 QMUNTIKKMXWXLQ-UHFFFAOYSA-N 375.885 3.690 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)Cn1cnc2cc(Cl)ccc2c1=O 17735445 AOXUJCVFLSPOGS-UHFFFAOYSA-N 394.233 3.501 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4ccccc4F)C[C@H]23)cc1 19019448 SXASZEVAWYNORB-MQSCRBSSSA-N 382.479 3.671 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c(=O)n1C 19131838 DFUSDAMIEBCXCO-UHFFFAOYSA-N 386.455 3.608 0 40 GHAB COc1ccc([C@H]2CN(C(=O)c3ccc(C)s3)[C@@H]3CCCN(C(C)=O)[C@H]23)cc1 19217054 ZYMFGHJBDNEEDO-SFHLNBCPSA-N 398.528 3.684 0 40 GHAB Cc1cccc(O[C@@H](C)c2nnc(NC(=O)[C@H]3CN4CCC3CC4)s2)c1C 19235682 XPZRZGNRYNRLQG-HOCLYGCPSA-N 386.521 3.575 0 40 GHAB Cn1cc(-c2cc(C(=O)N[C@H](c3ccc(Cl)cc3)c3cccnc3)no2)cn1 19290759 WYGANGGDSRWNKN-LJQANCHMSA-N 393.834 3.643 0 40 GHAB O=C(C1CCC1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 19336013 LSAIRKDUVYMMBU-UHFFFAOYSA-N 396.466 3.693 0 40 GHAB NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)C2CCC2)C1 19374140 XXMXMQNYXZOHBJ-DEOSSOPVSA-N 376.500 3.790 0 40 GHAB CC(C)Oc1ccc(CN2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cc1 19450672 PKAFAMYVKYKKCM-QFIPXVFZSA-N 380.536 3.979 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)c2sc(-c3cccnc3)nc2C)cc1 19561099 NFZUQYRTRULVMN-CYBMUJFWSA-N 383.473 3.719 0 40 GHAB COc1cccc([C@H]2CN(C(=O)CCc3ccccc3F)[C@@H]3CCCN[C@H]23)c1 19566408 UIZZAAWLDYXPPD-KJXAQDMKSA-N 382.479 3.514 0 40 GHAB CN1CC2(CCC(C(=O)NCc3ccccc3F)CC2)Oc2ccccc2C1=O 19587839 RRZLWWMJDYHXKF-UHFFFAOYSA-N 396.462 3.536 0 40 GHAB CCOc1cc2c(cc1OCC)[C@@H](c1cc(OC)c(OC)c(OC)c1)NCC2 20494323 ZXXPIPZAGCPUTH-OAQYLSRUSA-N 387.476 3.745 0 40 GHAB biogenic COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN([C@H](C)c1ccccc1)CO3 20589892 GJPGOSXELMGYNU-OAHLLOKOSA-N 393.439 3.730 0 40 GHAB Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 21143473 YEEQBAXATNCTSL-SFHVURJKSA-N 398.528 3.776 0 40 GHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)OCCN1C(=O)c2ccccc2C1=O 21815409 ZINKZSLEPGXELF-LBPRGKRZSA-N 389.860 3.660 0 40 GHAB O=C(NCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 22408627 PATGIQHASCIFCE-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB COc1ccc(CN2CCN(CC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1F 22784062 FUBKRVISIQYONC-UHFFFAOYSA-N 399.510 3.588 0 40 GHAB CCOc1ccc(OCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 23143614 BUBTYYHMAXYEDI-UHFFFAOYSA-N 390.288 3.749 0 40 GHAB O=C(Nc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)s1)c1ccco1 23699295 DCTCBFSGGKZAMF-UHFFFAOYSA-N 395.440 3.973 0 40 GHAB O=C(/C=C/c1ccc(F)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 24114521 FCGLYGQMXCWUNA-JXMROGBWSA-N 381.476 3.793 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)N(C)CCOc1cccc(Cl)c1 24188856 WZDRVWQAPDEFTL-UHFFFAOYSA-N 385.851 3.685 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCCc2ccccc21 24748346 VMGMAZPFLJKVEM-OAQYLSRUSA-N 398.528 3.920 0 40 GHAB Cc1nc(COc2ccccc2C(=O)N(C)Cc2nc3ccccc3s2)no1 29704620 ZDOGUDCJJSQASB-UHFFFAOYSA-N 394.456 3.839 0 40 GHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cs1 29780858 LCNLAFLAFMPRFO-QGZVFWFLSA-N 383.517 3.512 0 40 GHAB CSc1ccc(N2C[C@H](C(=O)Nc3nc4c(s3)CCCC4)CC2=O)cc1 31307062 ZESYDPZHNMDPDA-GFCCVEGCSA-N 387.530 3.735 0 40 GHAB COc1ccccc1NC(=O)[C@@H]1CC(O)=Nc2c(-c3ccc(F)cc3)cnn21 32092195 WNAXSKMGMGFVMR-INIZCTEOSA-N 380.379 3.869 0 40 GHAB CC[C@@H](C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)c1ccccc1 32924968 OFCZUIPNSBRMDQ-JOCHJYFZSA-N 378.516 3.920 0 40 GHAB O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)c(Cl)c1 33619668 JIGHWWBHPULJRP-UHFFFAOYSA-N 399.584 3.961 0 40 GHAB COc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3c(C)nn(C)c3n2)cc1 36613262 DPRFMGPHVZPOKN-UHFFFAOYSA-N 378.476 3.824 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(-c2nc3ccccc3[nH]2)c1 36709447 MYGFWNCAUHIXQS-UHFFFAOYSA-N 384.395 3.777 0 40 GHAB CC(C)OCCSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 36806824 MTQRVPMDBVALAM-UHFFFAOYSA-N 398.532 3.777 0 40 GHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)C2CCN(Cc3ccccc3F)CC2)C1 39758947 TXOLEWNETAYYBC-OALUTQOASA-N 389.559 3.522 0 40 GHAB CCCCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)C1CC1 40070269 KNZNONRMERLLGL-IRXDYDNUSA-N 392.565 3.758 0 40 GHAB CN(CCCNC(=O)N[C@H]1CCSc2ccc(F)cc21)CC(F)(F)F 45233486 PAZWSABHBVOQQY-ZDUSSCGKSA-N 379.423 3.546 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c1 46667461 MIBSZGOXLOXUKH-UHFFFAOYSA-N 376.460 3.981 0 40 GHAB CCCNC(=O)[C@@H](C)Sc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 53841397 WPVNKKJKLYXHLH-MRXNPFEDSA-N 395.532 3.953 0 40 GHAB CCN(CC)C(=O)c1ccc(CNc2cc(C)nc(-c3ccncc3)n2)cc1 57826695 ATVNZOZEHAAYPI-UHFFFAOYSA-N 375.476 3.941 0 40 GHAB O=C(NCc1ccnc(N2CCCC2)c1)c1c[nH]nc1-c1ccc(Cl)cc1 58166769 FJILQYXYDXWLPP-UHFFFAOYSA-N 381.867 3.655 0 40 GHAB Oc1ccccc1-c1nc(CSc2nnc(N3CCCCC3)s2)no1 58210124 OUBADIHCGCFLCK-UHFFFAOYSA-N 375.479 3.576 0 40 GHAB CCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2F)cc1 59488986 TZWOKMSYQLJAQM-GOSISDBHSA-N 380.341 3.998 0 40 GHAB CC(C)[C@@H]1Nc2ccccc2C(=O)N1CCC(=O)Nc1nnc(C2CCC2)s1 61720777 PWCAPSNYDZDYQE-QGZVFWFLSA-N 399.520 3.684 0 40 GHAB CC(C)c1ccc(S(=O)(=O)c2cnc(N(C)Cc3ccccc3)nc2N)cc1 67336118 UOYIHPCHWWERTK-UHFFFAOYSA-N 396.516 3.651 0 40 GHAB CN(CC(=O)Nc1nc2c(s1)CCCC2)c1nc2c(F)cccc2s1 70973478 QPQUONUCMACPRY-UHFFFAOYSA-N 376.482 3.846 0 40 GHAB O=C(NCC1(N2CCCCC2)CCOCC1)Nc1ccccc1C(F)(F)F 72305823 VFWLUEXBLSXATA-UHFFFAOYSA-N 385.430 3.862 0 40 GHAB O=C(NC1CCCC1)c1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n[nH]1 72380669 DHSQYCDHIWVXHT-FQEVSTJZSA-N 398.482 3.518 0 40 GHAB CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCN(C(=O)C2CC2)CC1 72394003 SLTUYIPXQVWWHC-UHFFFAOYSA-N 396.487 3.774 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NC[C@](O)(c1cccs1)C1CC1 77099493 PDJASCYBDRONEQ-QGZVFWFLSA-N 386.300 3.848 0 40 GHAB O=C(c1nnn(-c2ccccc2)n1)N(CCc1ccccc1)Cc1ccccc1 77100292 ADNVHEKGNCLTJH-UHFFFAOYSA-N 383.455 3.547 0 40 GHAB COc1ccc(-n2nnc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 77100314 OHYSHSDDIAMKKI-UHFFFAOYSA-N 397.744 3.595 0 40 GHAB COCCn1ccc2c(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cccc21 79464466 KGIAOUSGBZZCJO-UHFFFAOYSA-N 384.432 3.566 0 40 GHAB O=C(N[C@H]1CCCc2occc21)c1occc1CN1C(=O)Cc2ccccc21 84579377 PJOYBTJEALXZFJ-KRWDZBQOSA-N 376.412 3.769 0 40 GHAB COC(=O)c1ccc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1 96119833 NQQYINKMNRZSRR-UHFFFAOYSA-N 385.466 3.757 0 40 GHAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@@H]3c1cc(Cl)c2c(c1)OCO2 96221036 QDURLQXVQRVKFX-GFCCVEGCSA-N 384.771 3.925 0 40 GHAB biogenic CN(C)c1ccc(-c2noc(CC3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 98211012 QXPBITCKHBPNHK-UHFFFAOYSA-N 386.496 3.992 0 40 GHAB CCOP(=O)(OCC)[C@@](F)(CCC(C)=O)S(=O)(=O)c1ccccc1 205585615 XVOFTNDTVJXVMU-HNNXBMFYSA-N 380.374 3.719 0 40 GHAB C[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)(C)C)c1ccccc1 217475759 BDNCUNWHYBRMNE-CYBMUJFWSA-N 376.478 3.635 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1C 219175179 LYRFCVJFPWCMSB-GOSISDBHSA-N 388.533 3.727 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1OC 222775640 RDYULYRZHBAKCQ-PMACEKPBSA-N 378.501 3.873 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 224121172 TWVTXMLDLPCIJI-OAQYLSRUSA-N 382.504 3.626 0 40 GHAB COc1ccc(C(=O)N2CCN(C)CC2)cc1COc1cc(C)cc(C)c1C 224281182 OTWXVFKMXBPZKH-UHFFFAOYSA-N 382.504 3.587 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)c1 224826700 ULEPDQJKKGNBQB-MOPGFXCFSA-N 381.457 3.869 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 224878946 URTAMYNNKNDKTP-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSc1ccccc1 225040256 VBGRCAARQZUINE-GOSISDBHSA-N 384.545 3.765 0 40 GHAB Cc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccccc2)c(C)c1 225186433 IVJGSUBQXUXTNH-SFHVURJKSA-N 388.533 3.659 0 40 GHAB CCc1nccn1CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257335181 YIYXKFUDLKQZCV-IBGZPJMESA-N 396.466 3.917 0 40 GHAB O=C(c1ccco1)N1Cc2ccccc2[C@H](c2nccn2Cc2cccnc2)C1 306143164 XUWQMULAGAHTJF-HXUWFJFHSA-N 384.439 3.707 0 40 GHAB Cc1cccc(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1C 408646967 RQOUVLNQOHELEF-UHFFFAOYSA-N 394.349 3.600 0 40 GHAB COc1ccc([C@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc1 409112036 JTJXCXZUCUYXAV-GOSISDBHSA-N 379.412 3.761 0 40 GHAB COc1ccc(NC(=O)Cn2nc(COc3ccc(C)cc3)oc2=S)cc1 409155089 BMNYEOWAEDDHPZ-UHFFFAOYSA-N 385.445 3.740 0 40 GHAB O=C1C[C@@H](c2nc(-c3ccc4nn[nH]c4c3)no2)CN1c1cccc2ccccc12 583907113 DPDDNHOHFNMUEO-OAHLLOKOSA-N 396.410 3.682 0 40 GHAB CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)c1cccs1 585146826 VUINPWJQONHHJY-CYBMUJFWSA-N 386.498 3.950 0 40 GHAB Cc1ccccc1CN1CCCN(C(=O)CN2CCc3sccc3[C@H]2C)CC1 613377530 ISUQYQDNQDAOIC-LJQANCHMSA-N 397.588 3.710 0 40 GHAB COc1cc([C@@H](C)N2C(=O)N3CC4CC3(C4)C2=O)ccc1OCc1ccccc1 656798085 MPHIAZOVEBVIOO-YWNJXLEPSA-N 392.455 3.762 0 40 GHAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N(Cc1ccccn1)C1CC1 665466907 LPGSFSOULYFJPR-FQEVSTJZSA-N 385.467 3.793 0 40 GHAB O=C(O)CO[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 685945092 UFOXWUUEUQVHLJ-OAHLLOKOSA-N 381.428 3.501 0 40 GHAB O=C(c1ccn(-c2ccccc2C(F)(F)F)n1)N1CCCC[C@H]1c1cc[nH]n1 1117223052 PVLLPRYTTQXARU-KRWDZBQOSA-N 389.381 3.982 0 40 GHAB CC(=O)N1CCN(Cc2scnc2C)C[C@@H](Cc2cnc3ccccc3c2)C1 1615156764 MOUKDBXDBOFWLD-LJQANCHMSA-N 394.544 3.523 0 40 GHAB COc1ccc(CN2CC[C@@H]3CN(c4ccccn4)C[C@@H]32)cc1Br 1889133846 DUDVXIMDVPOHLC-WBVHZDCISA-N 388.309 3.563 0 40 GHAB COc1ccc(C(=O)N2CCC(COc3ccncc3Cl)CC2)cc1F 1889160443 GCUDPTVMFHECOA-UHFFFAOYSA-N 378.831 3.814 0 40 GHAB COc1ccccc1C(=O)N1CCC[C@H](N(C)c2ncccc2C(F)(F)F)C1 1889186929 JQHKMENVVYQIAN-AWEZNQCLSA-N 393.409 3.850 0 40 GHAB CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1cccc(C)c1 866300 ZEQHKYVYBYTXOO-UHFFFAOYSA-N 385.485 3.621 0 40 GHAB COc1ccc(CC(=O)Nc2nnc(COc3ccc(C)cc3)s2)cc1OC 897755 IBILFHFPYPYAAB-UHFFFAOYSA-N 399.472 3.624 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)cc1 1240795 HOAAXOGNOCABMN-IBGZPJMESA-N 397.500 3.525 0 40 GHAB O=C(O)[C@H]1c2ccc(Br)cc2CCN1C(=O)OCc1ccccc1 2527074 BMJIKVAZAMJUEC-MRXNPFEDSA-N 390.233 3.770 0 40 GHAB in-vitro O=C(COC(=O)CCc1c[nH]c2ccccc12)N[C@@H]1CCCc2ccccc21 3457396 CDDUKEICCMTJED-OAQYLSRUSA-N 376.456 3.838 0 40 GHAB CC(=O)O[C@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC(=O)[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 3849945 OTUOJBDLVLSQSL-GFBMGVRLSA-N 388.504 3.668 0 40 GHAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc2ccc3ccccc3c2s1 4194475 VVRIWLAXDUKMQQ-UHFFFAOYSA-N 387.420 3.684 0 40 GHAB O=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1ccc(Cl)c(Cl)c1 4317076 JVSVMIMKUHRUSU-UHFFFAOYSA-N 384.288 3.686 0 40 GHAB CCCCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)cc1 4369407 IKQHAKKVPHEWPP-GOSISDBHSA-N 394.471 3.564 0 40 GHAB CCn1c(SCC(=O)N2CCC(c3ccccc3)=N2)nnc1-c1cccs1 4516629 RRESUMKGGNBVFK-UHFFFAOYSA-N 397.529 3.755 0 40 GHAB CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(Cl)cc2)n2ncnc2N1 4705313 MXURGDHJOFXSLJ-SFHVURJKSA-N 379.851 3.537 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cc(OC)ccc1OC 4741609 GUYWUIGTUGZXTG-FQEVSTJZSA-N 393.443 3.906 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccc3ccccc3c2)c2ccccc21 4987868 PXCQDGCPCJIMHI-DEOSSOPVSA-N 389.451 3.822 0 40 GHAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 5049081 XIUULMIBXOXSRF-RIEHRDFOSA-N 395.842 3.707 0 40 GHAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(C)nc3ccccc23)cc1 5356056 BAWHJPFHQPSQLO-UHFFFAOYSA-N 376.412 3.931 0 40 GHAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)COc1ccccc1 5560100 QOHUWPDWVUDZTI-UHFFFAOYSA-N 393.443 3.565 0 40 GHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2c(F)cccc2F)NC(=S)N1 5835050 VDFMWGYSZSYGMF-MRXNPFEDSA-N 377.391 3.535 0 40 GHAB CCCCC(=O)N(Cc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1 5977966 PGDYMADKRNXNBQ-UHFFFAOYSA-N 379.460 3.651 0 40 GHAB Cc1ccc(NC(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)nc1 6276131 UEUDEDRNRMUDEE-UHFFFAOYSA-N 376.338 3.894 0 40 GHAB O=C(CCc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 6287174 CMQUBNYEFSDALC-UHFFFAOYSA-N 386.517 3.823 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2nc3c(C)cc(C)cc3s2)c1 6316304 MDULMBMIOUGRCR-UHFFFAOYSA-N 378.475 3.731 0 40 GHAB COc1ccccc1-c1nnc(NC(=O)/C=C\c2ccc3c(c2)OCO3)s1 6453709 ZZHXSHHFNZKTIQ-CLFYSBASSA-N 381.413 3.594 0 40 GHAB Cc1ccc(OCC(=O)Nc2ncc(I)cc2C)cc1C 6574598 SQZCLKATJPPQNL-UHFFFAOYSA-N 396.228 3.629 0 40 GHAB CC(=O)c1ccc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)cc1 6612031 JLSCPPVPRYBPNF-UHFFFAOYSA-N 379.334 3.632 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2OCC)C(C)C)cc1 6617343 SXMSVQZBPGASSZ-FQEVSTJZSA-N 384.476 3.877 0 40 GHAB COCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(F)cc1 6752835 PHRZTQMKWKRMAO-HXUWFJFHSA-N 381.407 3.503 0 40 GHAB COc1ccccc1-n1c(SCc2cc(C)on2)nnc1N1CCCCC1 6994215 ZHRMFKWCVPZRKA-UHFFFAOYSA-N 385.493 3.855 0 40 GHAB CC(C)n1c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2ccccc2c1=O 7114354 NXNQKKQVDJKCGL-SFHVURJKSA-N 381.501 3.899 0 40 GHAB Cc1cccc(NC(=O)Cc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)c1 7845583 UOLNRXGMANQRSJ-UHFFFAOYSA-N 379.441 3.631 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1C 7881584 JLQWACSZFZAJOS-INIZCTEOSA-N 385.847 3.736 0 40 GHAB O=C(CCN1C(=O)COc2ccccc21)NC(c1ccccc1)c1ccccc1 8061153 IMPDZOAOLOYDHX-UHFFFAOYSA-N 386.451 3.708 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 8087572 QHPYOPWNBGYSDG-UHFFFAOYSA-N 387.288 3.932 0 40 GHAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1nc2ccccc2s1 8402638 KMZXZYHUZYVEBN-MRXNPFEDSA-N 380.469 3.974 0 40 GHAB COc1cccc(CNn2cn[nH]c2=S)c1OCc1ccccc1Cl 8495631 RVMPAMURFUVSQW-UHFFFAOYSA-N 376.869 3.925 0 40 GHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cncn1-c1ccccc1 8746388 AQAYBMHNPMGTGF-UHFFFAOYSA-N 383.835 3.617 0 40 GHAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc4c(c3)OCCO4)sc2c1 8903672 RVKITOCXAXSCCZ-UHFFFAOYSA-N 398.440 3.885 0 40 GHAB O=C(NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1)Nc1ccc(Cl)cc1 9066728 ZZLGAGUXODOBKP-AWEZNQCLSA-N 375.831 3.649 0 40 GHAB COc1ccccc1[C@@H]1N=C(Nc2ccccc2Cl)Nc2nc(C)cc(=O)n21 9225423 XTZMYGGAXGPBSE-GOSISDBHSA-N 395.850 3.654 0 40 GHAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(OC)c(OC)c1 9281249 DWKWUSXSDJWAID-UHFFFAOYSA-N 394.471 3.906 0 40 GHAB COc1cc(CNC(=O)CSCc2cccc(C)c2)cc(OC)c1OC 9887497 MHWCGBGQABSILG-UHFFFAOYSA-N 375.490 3.570 0 40 GHAB Cc1ccc(C(=O)N[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C(C)C)cc1 9900476 WTHJWFRDKCYQNR-JOCHJYFZSA-N 389.499 3.816 0 40 GHAB Cc1ccc(-n2c(S[C@@H](C)C(=O)NC(C)C)nnc2N2CCCCC2)cc1 10194958 CVTBFXFEFBNQPW-INIZCTEOSA-N 387.553 3.571 0 40 GHAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 10367201 RRAZEYDNZCEUAB-CYBMUJFWSA-N 398.887 3.889 0 40 GHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1nc2c(s1)CCCC2 10390167 SHDBKGZHWVKQOW-UHFFFAOYSA-N 383.521 3.800 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCC(=O)Nc1c(F)cccc1F 10948491 KDCAHMJPWWASAW-CKEIUWERSA-N 383.435 3.924 0 40 GHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 10951592 HFQXPDLYVNAQJA-MCMMXHMISA-N 392.407 3.553 0 40 GHAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1cccc(C(=O)NC2CC2)c1 11549309 YDPRKQCVPAUQTJ-UHFFFAOYSA-N 377.366 3.648 0 40 GHAB O=C(CCc1csc(NC(=O)c2ccco2)n1)Nc1ccc(F)c(F)c1 11834998 VKECRCBFPSWZDE-UHFFFAOYSA-N 377.372 3.838 0 40 GHAB CCOc1cc2c(cc1CN(Cc1ccc3c(c1)OCO3)C[C@@H](C)O)CCC2 12185862 YRDZHTPYZYPQOQ-MRXNPFEDSA-N 383.488 3.686 0 40 GHAB COc1cccc(C2(NC(=O)c3sc4ncn(C)c(=O)c4c3C)CCCC2)c1 12197538 HASHKWFSEYUDJD-UHFFFAOYSA-N 397.500 3.511 0 40 GHAB O=C(C1CC1)N1CCCc2cc([C@H](O)CN3CC[C@@H]4CCCC[C@@H]4C3)ccc21 12326679 FCLGTCLZAQCHJG-AMHTUMDSSA-N 382.548 3.921 0 40 GHAB S=c1n(CN2CCN(c3cccc(Cl)c3)CC2)nnn1C1CCCCC1 12521813 ZEUIIOKNMLVIEW-UHFFFAOYSA-N 392.960 3.747 0 40 GHAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)cs1 12593792 KKUICHGFWXJYQN-LBPRGKRZSA-N 380.473 3.657 0 40 GHAB Cc1occc1-c1nc(NC2CCN(C(C)C)CC2)ncc1-c1cnccn1 12739318 FVWBPMMCAQECMJ-UHFFFAOYSA-N 378.480 3.787 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2c(C)nc3ccccc3c2C)c1 12789420 WZZATJRTWHGLPT-UHFFFAOYSA-N 398.484 3.532 0 40 GHAB C[C@H](NCC(=O)Nc1cc2c(cc1Cl)OCCO2)c1ccc(F)c(F)c1 12789465 SGCPSIHQLYLSMW-JTQLQIEISA-N 382.794 3.679 0 40 GHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1cc(Br)ccc1F 12798427 VSCSZKKXOKQPHS-UHFFFAOYSA-N 388.240 3.763 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2)NC(=O)N1c1ccc2c(c1)OCO2 12820716 HTMQRSWPWDSYAC-FQEVSTJZSA-N 394.427 3.912 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(F)cc1Br 12878330 VZOHLQQHZCLAFZ-NSHDSACASA-N 382.229 3.853 0 40 GHAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Oc2ccccc2)cc1 12909786 DBDZBSGUEYPZQW-UHFFFAOYSA-N 393.443 3.672 0 40 GHAB O=C(O)Cc1csc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)n1 12920780 LDJAMDNUNRPDTF-MRXNPFEDSA-N 376.503 3.616 0 40 GHAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C2 12924547 UJPGPQCAJIIQRQ-INIZCTEOSA-N 381.906 3.707 0 40 GHAB C[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1Br 12927889 YXUZNBMUAFEEOR-LLVKDONJSA-N 392.684 3.961 0 40 GHAB COc1ccc(-c2nc(CC(=O)Nc3cccc(NC(C)=O)c3)cs2)cc1 13692187 MKYDRNQHJKTZPZ-UHFFFAOYSA-N 381.457 3.958 0 40 GHAB COc1ccccc1N1CCn2c(nc3cc(NC(=O)c4ccco4)ccc32)C1 13726190 UDDBYHWISOGXFS-UHFFFAOYSA-N 388.427 3.910 0 40 GHAB CCOc1ccc(/N=c2\scc(-c3ccc(O)c(C(N)=O)c3)n2C2CC2)cc1 14067384 UGGBLVKJATZPMZ-LNVKXUELSA-N 395.484 3.987 0 40 GHAB CC(=O)Nc1ccc(CC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1 14227323 BLSDWQVTLZOWLQ-FQEVSTJZSA-N 399.560 3.838 0 40 GHAB C/C=C(/C)C(=O)O[C@@H](C)[C@H](OC(=O)/C(C)=C\C)c1cc(OC)c2c(c1)OCO2 14589645 YIFLQBNCXIFWEL-HDWUKLOVSA-N 390.432 3.872 0 40 GHAB biogenic,in-vitro COc1c(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc2c(c1OC)OCO2 15085872 SHTJPGLZHLEXDA-AWEZNQCLSA-N 375.808 3.822 0 40 GHAB Cc1cc(OC[C@@H](O)CN2C(=O)c3ccccc3C2=O)c(C(C)C)cc1Cl 15232442 UQTMCKZIXDZUDF-AWEZNQCLSA-N 387.863 3.808 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3N3CCCC3)CC2=O)cc1 15356765 OOZPLTZMGDUHTJ-KRWDZBQOSA-N 393.487 3.677 0 40 GHAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 15741802 VDFFKLOIDZQNNY-GOSISDBHSA-N 394.924 3.536 0 40 GHAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 19331811 VZUXGFTWISETON-GFCCVEGCSA-N 380.839 3.507 0 40 GHAB COc1ccc(N2C(=O)C(O)=C(C(=O)OC(C)(C)C)[C@H]2c2ccccc2)cc1 19830986 UAZSLQYLTGBUCC-GOSISDBHSA-N 381.428 3.937 0 40 GHAB CCOC(=O)c1c(CSCCCN2CCOCC2)oc2ccc(OC)cc12 20814231 FWRIBYUDEUYXMH-UHFFFAOYSA-N 393.505 3.574 0 40 GHAB O=S(=O)(NCc1ccc(COCC(F)(F)F)cc1)c1c(F)cccc1F 21871413 OYAMMRQEUOERRO-UHFFFAOYSA-N 395.349 3.522 0 40 GHAB O=C(OCC(=O)N1c2ccccc2CCc2ccccc21)c1ccc(O)cc1O 22831099 VGSSFJBJUXXGEC-UHFFFAOYSA-N 389.407 3.718 0 40 GHAB CSc1nc(C)c(CCC(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c(C)n1 23074913 YKHACEFQKYTXJQ-UHFFFAOYSA-N 392.912 3.998 0 40 GHAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(-c2ccco2)on1 24564592 BYKYQWUKZXQYSI-KRWDZBQOSA-N 388.427 3.987 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C=C(C)C)c1 25060067 KKANGQUJUMYPEP-UHFFFAOYSA-N 388.489 3.815 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Oc4cnccn4)c3)CC2=O)cc1 32029259 SCNVFFJPPUNFCC-MRXNPFEDSA-N 388.427 3.569 0 40 GHAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(c2noc3cc(F)ccc23)CC1 32073230 YCIKIAKNHURLPZ-UHFFFAOYSA-N 391.402 3.828 0 40 GHAB O=C1c2cccc3cccc(c23)N1CN1CCN(Cc2ccccc2F)CC1 32506937 UNXPQKFVIBXDRI-UHFFFAOYSA-N 375.447 3.714 0 40 GHAB O=C(Cc1cc2c(cc1Br)OCCO2)Nc1cccc2cccnc12 32740856 WNZKFMRPUFEMGQ-UHFFFAOYSA-N 399.244 3.950 0 40 GHAB C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccc2c(c1)CCC2 32774391 DJYGKZSVSVUORZ-ZDUSSCGKSA-N 379.485 3.542 0 40 GHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)NCCc1nnc2n1CCCCC2 32802604 NJKORUPYTANABA-UHFFFAOYSA-N 396.322 3.695 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)c1cn(-c2ccccc2Br)nn1 32815556 DYJHEOIIVYWDPG-GFCCVEGCSA-N 383.249 3.621 0 40 GHAB CC(C)C(=O)Nc1ccc(CNC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1 32899284 WTDDVLKRXJAXAI-IBGZPJMESA-N 396.487 3.769 0 40 GHAB COc1ccc(-c2csc(NC(=O)c3ccc4[nH]cnc4c3)n2)c(OC)c1 32991081 QYMDVMOJFILOTM-UHFFFAOYSA-N 380.429 3.956 0 40 GHAB Cc1ccc2cc(CN(C(=O)C3CC3)C3CCCCC3)c3nnnn3c2c1C 35312832 ROJHQADHMKZEEK-UHFFFAOYSA-N 377.492 3.966 0 40 GHAB CCn1nc(C)c2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc(C)nc21 36612156 WDICRXSESOZQFY-UHFFFAOYSA-N 397.910 3.684 0 40 GHAB CCn1ncc(NC(=O)c2sc([C@H](C)Cn3cc(Cl)cn3)nc2C)c1C 36613994 SUNQPNNXGGDYST-SNVBAGLBSA-N 392.916 3.882 0 40 GHAB CN(C)C(=O)N1CCC(C(=O)Nc2nc3c(ccc4ccccc43)s2)CC1 40128972 PACPKCJRWIZPQH-UHFFFAOYSA-N 382.489 3.782 0 40 GHAB O=C(NCc1cccc(C(F)(F)F)c1)c1nc(N2CCCC2)ncc1Cl 40135726 UIHWNJNAFHTLJJ-UHFFFAOYSA-N 384.789 3.679 0 40 GHAB CCCOc1cccc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 40144530 XNHHHOCUPXHVAO-UHFFFAOYSA-N 382.508 3.660 0 40 GHAB C[C@@H]1CCCN(Cc2ccc(NC(=O)CNC(=O)c3ccccc3Cl)cc2)C1 47283478 ZLLJSVJJMBZHLC-MRXNPFEDSA-N 399.922 3.940 0 40 GHAB O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 48374594 LOOSQRZJQXSZHT-CYBMUJFWSA-N 389.908 3.705 0 40 GHAB CCc1ccc(Oc2cc(N3CCC(C(=O)NCC4CC4)CC3)ncn2)cc1 49401940 NFHHIUPYCROIJX-UHFFFAOYSA-N 380.492 3.574 0 40 GHAB COc1cc(OC)cc(N2C(=O)C[C@H](c3ccccc3)c3sc(=O)n(C)c32)c1 49546828 QUSWOTIJQUTSTH-QGZVFWFLSA-N 396.468 3.664 0 40 GHAB CC(C)c1cc(C(=O)NCc2cccc(N3CCOC3=O)c2)nn1C(C)(C)C 56964785 AHBRGRBAXPTPSA-UHFFFAOYSA-N 384.480 3.648 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 57510465 GXOTZMHOKSVCEX-UHFFFAOYSA-N 376.865 3.717 0 40 GHAB CCOC(=O)CCN(Cn1nc(C2CC2)n(-c2ccccc2)c1=S)C1CC1 57985484 PXIBRLOJZOXQAF-UHFFFAOYSA-N 386.521 3.656 0 40 GHAB Cc1cccnc1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 58177796 YFXWTPOBLFAPCS-OAHLLOKOSA-N 381.411 3.991 0 40 GHAB CCCc1nnc(S)n1CC(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 58304498 ZXFVRXRWWLHGQI-UHFFFAOYSA-N 395.532 3.794 0 40 GHAB COc1cc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccccc4F)c32)ccc1O 61719154 SUULDDYNKHFGPZ-LBPRGKRZSA-N 396.374 3.503 0 40 GHAB COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCC3(CCCCC3)CC2)c1C 72081080 UJDHYRGEHOQODH-UHFFFAOYSA-N 376.497 3.621 0 40 GHAB O=C(CN1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1)N1CCCC1 72348784 PVWMMGCPYQYVQA-UHFFFAOYSA-N 381.495 3.613 0 40 GHAB Cc1cc(C)n2nc(CC(=O)N(Cc3ccccc3)[C@@H]3CCCC3(C)C)nc2n1 79022488 RFQCXRSPRIGURQ-LJQANCHMSA-N 391.519 3.891 0 40 GHAB C[C@@H]1Sc2ccccc2N(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H]1C 79105640 OKTOOHYSOLGZFO-OLZOCXBDSA-N 388.514 3.649 0 40 GHAB O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCC[C@H]1c1ccc[nH]1 84338981 DVJZOLWRUJITSO-GOEBONIOSA-N 375.881 3.835 0 40 GHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)C1(C)C 84671143 YURIASFTNUZNFA-WMLDXEAASA-N 378.538 3.940 0 40 GHAB CC(=O)NC(=O)c1ccc(-c2ccc(Br)cc2Br)o1 85346733 ZNFNOPUUWFKTNG-UHFFFAOYSA-N 387.027 3.748 0 40 GHAB COc1cc(C=O)ccc1OCc1nc(-c2ccccc2OC(F)F)no1 89262996 LJHRSAAYRWDOSK-UHFFFAOYSA-N 376.315 3.738 0 40 GHAB Cc1noc(C)c1CC(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C 90593815 MDJWJCHEEBRBSR-UHFFFAOYSA-N 398.463 3.974 0 40 GHAB CC(C)(C)OC(=O)N1Cc2nc(-c3ccccc3)ncc2[C@H]1C(=O)N1CCCC1 91690289 HXYKTYQZYXZDKL-SFHVURJKSA-N 394.475 3.558 0 40 GHAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)COc1cc(C)ccc1C(C)C 95351289 ICKRDFHRTLISGL-HXUWFJFHSA-N 381.472 3.624 0 40 GHAB COc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2N2CCN(C)CC2)cc1 100930201 MLMQOZCVGOENFV-FCQUAONHSA-N 394.544 3.649 0 40 GHAB O=C(O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 113874747 WQEJRLVZKUOYHO-UHFFFAOYSA-N 394.663 3.927 0 40 GHAB O=C(NC[C@H]1C[C@@H]2C=C[C@@H]1C2)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 170613148 JOQVHQKFSVTBFJ-FVQBIDKESA-N 384.863 3.549 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 223025789 GACSZEHPYNKELP-VQTJNVASSA-N 379.485 3.961 0 40 GHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC 223261883 NIJHPUAPCHEWEE-OAQYLSRUSA-N 382.504 3.571 0 40 GHAB COC(=O)c1ccc(NC2CC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223414271 SIVHHDAUQAFUAY-UHFFFAOYSA-N 380.853 3.502 0 40 GHAB Cc1cccc(-c2noc(CN(C)C(=O)COc3cccc4c3CCCC4)n2)c1 223715141 RGFJWQDNJVEJBR-UHFFFAOYSA-N 391.471 3.961 0 40 GHAB O=C(NCCc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 223932157 BXUNUXGTLSPZJV-UHFFFAOYSA-N 398.459 3.599 0 40 GHAB Cc1cccc(CN(C(=O)Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)c1 224175058 DNAMCYSDLIXZHJ-SFHVURJKSA-N 384.495 3.866 0 40 GHAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(Br)c(C)c2)cc1 224595595 FYADESBRZKUCQN-UHFFFAOYSA-N 384.295 3.981 0 40 GHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(OC)cc1 225156946 OOPTUXHMWCQNHU-QFIPXVFZSA-N 383.488 3.927 0 40 GHAB COCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C)n1 225864700 XCFBUELTXNFUQD-UHFFFAOYSA-N 384.476 3.874 0 40 GHAB CN(C)CCOc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cn1 225934937 PKUPCDIJQBICCT-UHFFFAOYSA-N 389.499 3.967 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257315825 VCXKAZIGMPCNJR-KRWDZBQOSA-N 377.444 3.689 0 40 GHAB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cccnc1 408737182 LSMPIMXAQABCQM-JOCHJYFZSA-N 387.483 3.993 0 40 GHAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1ccccc1OC 408919078 SJTGOXIEFSYBAB-GZTJUZNOSA-N 399.424 3.637 0 40 GHAB O=C(Nc1ncccc1-c1ccccc1)[C@@H](C[C@@H]1COCCO1)C(F)(F)F 622835888 GJHDOXSKKPUMEY-GDBMZVCRSA-N 380.366 3.671 0 40 GHAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]21 663733585 FHQRSTPMLDDYOM-BHDDXSALSA-N 397.469 3.567 0 40 GHAB Cn1cc(-c2cc(CNC(=O)C(c3ccccc3)c3ccccc3)ccn2)cn1 675008049 RWSHKLAXRVKSHS-UHFFFAOYSA-N 382.467 3.930 0 40 GHAB CC1(C)CNC(=O)[C@@H]1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 1640899488 AGQSXCXIOZSHOO-NRFANRHFSA-N 393.462 3.547 0 40 GHAB CC(C)NC(=O)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1888918104 NUWIWWAUBKFHJB-UHFFFAOYSA-N 375.476 3.989 0 40 GHAB COCCOC(=O)N1CCC([C@@H]2CCCCN2Cc2cccc(F)c2)CC1 2056226555 URXAXWIDCJIYFI-FQEVSTJZSA-N 378.488 3.675 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)n1C 787058 CHMRECGWXBZPII-UHFFFAOYSA-N 388.880 3.875 0 40 GHAB Cc1ccc(O)c(NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)c1 814935 ZSRJEQYHHADALF-INIZCTEOSA-N 375.222 3.595 0 40 GHAB CCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 1224649 AZJSXYQSQMVTRG-UHFFFAOYSA-N 395.528 3.742 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)OCc1csc(-c2ccccc2)n1 2654711 SPUUIQANRAYMFR-UHFFFAOYSA-N 387.482 3.717 0 40 GHAB CNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 3303144 YMEAAOLWPXHJON-UHFFFAOYSA-N 397.891 3.907 0 40 GHAB CCCC(=O)Nc1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)c(C(C)=O)c1 3384454 YCUYMYNHXRVGFU-HNNXBMFYSA-N 394.471 3.984 0 40 GHAB Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)CC2)cc1 4544728 YNAYHSXPRXUTNL-AKJFGRAESA-N 380.488 3.523 0 40 GHAB O=C(Oc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1)c1cccc2ccccc12 4556447 KRLDULOSHQRRFI-RTBURBONSA-N 379.437 3.847 0 40 GHAB O=C(NC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccc(F)cc1 4888486 PNEBEAJIKWXXCX-UHFFFAOYSA-N 375.831 3.905 0 40 GHAB O=C(NCc1nc(-c2cccnc2)n[nH]1)Nc1ccc(Cl)c(C(F)(F)F)c1 5001905 XUQCACRFWQSADZ-UHFFFAOYSA-N 396.760 3.861 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)COc3ccc(-c4nnco4)cc3)c2C)no1 5209313 NWDAWFWRVAHMNU-UHFFFAOYSA-N 378.388 3.702 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)n1cnc2sc(C)c(C)c2c1=O 5550655 ZVKCNUZUMHQBPA-JTQLQIEISA-N 391.880 3.937 0 40 GHAB CN(Cc1cccs1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 5704404 QXNDDVGJOCZCLA-HXUWFJFHSA-N 378.497 3.748 0 40 GHAB COc1ccc2cc([C@@H]3S[C@@H](C)C(=O)N3[C@@H]3CCCO3)c(Cl)nc2c1 5920662 CETSQLURVNJOHK-RNCGHPTOSA-N 378.881 3.996 0 40 GHAB Cc1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1S(=O)(=O)N(C)C 6087891 UULHRZYLPMKRQH-GFCCVEGCSA-N 392.546 3.684 0 40 GHAB COc1cccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c1OC 6364679 PUSRXARGBCSOPN-SFHVURJKSA-N 387.505 3.961 0 40 GHAB CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 6611101 IYQFFJBDVVOHGK-MRXNPFEDSA-N 383.492 3.783 0 40 GHAB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)s1 6621445 IHAXMJYUAXJQKG-JXWOKWDKSA-N 395.893 3.886 0 40 GHAB Cc1cc(=O)oc2c3c(cc(OCC(=O)Nc4ccccn4)c12)OC(C)(C)CC3 6624542 ZZGZTZMKJBUWTF-UHFFFAOYSA-N 394.427 3.618 0 40 GHAB biogenic O=C(Oc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1)c1cccs1 6732691 QFDRMIZFWKWKKE-UHFFFAOYSA-N 384.438 3.528 0 40 GHAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ccccn2)CC1 6881833 ZEQNORVIEKLXOV-ZDUSSCGKSA-N 379.291 3.538 0 40 GHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccc2c(c1)CCCC2 7717431 LMJFOPSUEDSNKO-UHFFFAOYSA-N 377.532 3.807 0 40 GHAB CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 7881103 FRUSDRUUWRSYSZ-UHFFFAOYSA-N 390.530 3.754 0 40 GHAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1cccc(Cl)c1 8287342 VXKDYOBOWVUOAW-UHFFFAOYSA-N 388.876 3.800 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCC1(N2CCCCC2)CCCCC1 8316152 VRCACVXEYYMEGJ-UHFFFAOYSA-N 397.563 3.661 0 40 GHAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1ccc(Cl)s1 8343746 PELSRRKELPUWIM-UHFFFAOYSA-N 383.882 3.802 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1c(C)cccc1C 8433727 IVIPLPQRSXFUMG-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1cccc(F)c1 9484640 DRLKHKUTPYCWPW-UHFFFAOYSA-N 382.357 3.874 0 40 GHAB O=S1(=O)CC[C@@H](Nc2ncnc3cc(-c4ccc(Cl)cc4)sc23)C1 9691049 BQJOLDFODLEILS-GFCCVEGCSA-N 379.894 3.611 0 40 GHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c1 10338852 RNBRVLPBQZFFJH-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB Cc1noc(C)c1S(=O)(=O)N[C@H](c1ccc2c(c1)CCC2)c1cccs1 10519119 DGIUEYKMTIIGSK-GOSISDBHSA-N 388.514 3.910 0 40 GHAB CCOc1ccc(-c2cc(C(=O)Nc3nnc(SCC)s3)no2)cc1 11915147 XWIPQUKJWXILPB-UHFFFAOYSA-N 376.463 3.956 0 40 GHAB CCn1c(N2CCC(C(=O)NCc3cccc(OC)c3)CC2)nc2ccccc21 12116384 QPYIWWOAKLKNCV-UHFFFAOYSA-N 392.503 3.598 0 40 GHAB CCc1c(C)nc(-n2nc(C3CC3)cc2NC(=O)CCC2CCCC2)[nH]c1=O 12127587 CPFCTBLZUYJQBF-UHFFFAOYSA-N 383.496 3.613 0 40 GHAB Cc1ccc(-c2cc(CC3(C(=O)NCc4ccncc4)CCOCC3)on2)cc1 12132281 LOPFLRVIKKPOSC-UHFFFAOYSA-N 391.471 3.701 0 40 GHAB O=C(CCc1ccccc1F)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1 12292028 LTBASKLNBATMAF-MRXNPFEDSA-N 380.423 3.610 0 40 GHAB O[C@H](CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1 12292398 FWPZENMRERMHEC-GOSISDBHSA-N 383.385 3.862 0 40 GHAB O=C(/C=C/c1ccc2ccccc2n1)N1CCC(C(=O)N2CCCCCC2)CC1 12557770 FRLQVFZDEKXIEQ-VAWYXSNFSA-N 391.515 3.889 0 40 GHAB COC(=O)c1ccccc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 12757887 PTYYCOOOGBLHJM-BQYQJAHWSA-N 387.819 3.940 0 40 GHAB Cc1nc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)sc1C 12758739 CJHVZKWNJCDZFW-UHFFFAOYSA-N 393.534 3.577 0 40 GHAB COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 12820468 SHMFPRBSYMLPOX-LBPRGKRZSA-N 376.840 3.503 0 40 GHAB CC(=O)c1ccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)s1 12869740 ZNTGOVOOSUODCK-UHFFFAOYSA-N 385.485 3.964 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)NCc3ccccc3)CC2)c(C)c1 12893812 MSWDNTRNVIDAAR-LJQANCHMSA-N 393.531 3.659 0 40 GHAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Br)cc1F 12924233 PTVJQJALYMBQNG-UHFFFAOYSA-N 377.213 3.967 0 40 GHAB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2O)CC1 13072926 LTBNVPZDEXFWRY-AWEZNQCLSA-N 393.409 3.560 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccccc1C 13568953 AQFMZMBEKVZDJQ-NSHDSACASA-N 388.522 3.553 0 40 GHAB CCc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 13684461 ZTIICZSUZASHAD-UHFFFAOYSA-N 389.455 3.592 0 40 GHAB C[C@H](Sc1nc2ccsc2c(=O)n1-c1ccccc1)C(=O)NC(C)(C)C 14021638 FHXYUABESPVGIV-LBPRGKRZSA-N 387.530 3.843 0 40 GHAB O=C(CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 18149068 CNQVEFRXVNYSKV-STQMWFEESA-N 381.259 3.663 0 40 GHAB COc1cc2c(cc1OC)[C@@H](CNC(=O)CCn1nccc1C)C1=C2CCCC1 19238500 MZPQSSYCLYILDS-FQEVSTJZSA-N 395.503 3.840 0 40 GHAB O=C1NCCN(CC2CCCCC2)C[C@H]1Cc1cccc(-c2cccnc2)c1 19331498 LYYXOSFFNCSXPF-HSZRJFAPSA-N 377.532 3.919 0 40 GHAB CCCC(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccncc2)cc1 19501769 QMXICUXBMUQKBE-UHFFFAOYSA-N 375.476 3.688 0 40 GHAB COc1ccc(CN2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)c(C)c1C 19577308 CWYVEXGMYWEFRO-HSZRJFAPSA-N 381.520 3.796 0 40 GHAB CCc1c(C(=O)Nc2ccccc2OC(F)(F)F)nnn1-c1ccccc1 19910924 JEEFDYSUYYXLJC-UHFFFAOYSA-N 376.338 3.981 0 40 GHAB CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)CCc1ccccc1)cn2C 22237398 IZMYAZXMEYWMNW-MRXNPFEDSA-N 378.472 3.688 0 40 GHAB O=C(Nc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1)c1ccco1 23018327 QRDNNBJFJNGMMY-UHFFFAOYSA-N 376.416 3.779 0 40 GHAB COc1cccc([C@H](CNC(=O)c2cccc3ccccc23)N2CCOCC2)c1 23106056 CLFWOZIDSACBGB-QHCPKHFHSA-N 390.483 3.652 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 24343360 BEQSADQARQKFND-CQSZACIVSA-N 379.460 3.997 0 40 GHAB COc1ccccc1[C@H](C)N(C)C(=O)CCN1C(=O)CSc2ccccc21 25109609 GLNJRMKDRVTYBV-HNNXBMFYSA-N 384.501 3.744 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C)c(Cl)c1 26099570 YEIIQHRUUKSTIN-UHFFFAOYSA-N 379.894 3.688 0 40 GHAB CCN1C(=O)C(=C2C=C(C)N(c3ccccc3)C(C)=C2)C(=O)N(CC)C1=S 28628027 WXWDSBJLAMVZCP-UHFFFAOYSA-N 381.501 3.606 0 40 GHAB O=C1COc2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)ccc2N1 30773826 PHIWJXCXRFJFFH-UHFFFAOYSA-N 386.451 3.903 0 40 GHAB O=C(CSc1ccc(C(F)(F)F)cn1)c1c[nH]c(C(=O)N2CCCC2)c1 31743376 BYPQRBUGPRHPFB-UHFFFAOYSA-N 383.395 3.640 0 40 GHAB CN(C(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O)c1ccccc1 32647211 MDXNVPLQVVHZPW-UHFFFAOYSA-N 383.451 3.650 0 40 GHAB CN(C)C[C@@H](CNC(=O)Nc1cccc2ccccc12)[C@@H](O)c1ccccc1 32912637 AEPLNSPHYKGNIV-KNQAVFIVSA-N 377.488 3.873 0 40 GHAB COc1cccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)c1 33271856 LDPQZXRTOUWNMT-UHFFFAOYSA-N 394.452 3.753 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Br)c1 33703982 YXMKQDRTZFJMHA-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB COc1cc(C(=O)Nc2ccc(C)cc2)cc(I)c1OC 33760078 MHSHFFHUGVUMMC-UHFFFAOYSA-N 397.212 3.869 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC[C@H](C(=O)Nc2ccccc2)C1 36408816 VQRYHCJLMISQRB-OALUTQOASA-N 379.504 3.981 0 40 GHAB O=C(Cc1noc2ccccc12)Nc1ccc(-c2cn3c(n2)SCC3)cc1 38735763 HNWPDNXKEDKENM-UHFFFAOYSA-N 376.441 3.978 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 40057925 GJGPDMUYLOKEJW-RTBURBONSA-N 386.492 3.731 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(F)cc1 40484590 ZXYIZMQWUYVEPV-LJQANCHMSA-N 393.422 3.744 0 40 GHAB COc1ccc(C(=O)Nc2cccc(C(=O)c3ccncc3)c2)c(OC)c1OC 41107848 DQCHXXRTNBLIEJ-UHFFFAOYSA-N 392.411 3.591 0 40 GHAB C[C@H](SCc1ccccc1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 44372622 WXNIWUHAPFDWFP-CABCVRRESA-N 377.531 3.589 0 40 GHAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1ccccc1Cn1cncn1 48353828 ZLYZMNIAHYUXAW-QGZVFWFLSA-N 392.503 3.708 0 40 GHAB O=S1(=O)CC[C@@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 55155585 QTUDEVQBSLVVEC-JOCHJYFZSA-N 377.509 3.755 0 40 GHAB O=C(NCC(=O)N1CCCc2ccccc21)c1occc1COc1ccccc1 57270014 MUTMTNLWBWPMFG-UHFFFAOYSA-N 390.439 3.568 0 40 GHAB C[C@@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Cl)cc1 57363698 XXFGXSWUFWERKP-GFCCVEGCSA-N 390.274 3.863 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(CN(C)Cc2c(F)cccc2Cl)n1 57420753 SHEXAIFDWQBMJW-UHFFFAOYSA-N 386.862 3.930 0 40 GHAB COc1ccccc1C1(O)CCN(C[C@H]2CCCN(Cc3ccccc3)C2)CC1 57822880 LSAAGHXIDIFWNM-JOCHJYFZSA-N 394.559 3.891 0 40 GHAB C[C@@H]1CN(Cc2cccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)c2)CCO1 58149342 CNMIGWHUPRNWAC-AYNFZOLJSA-N 382.548 3.740 0 40 GHAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)COc2ccccc2C)CC1 58162143 RNDVYEIXOHJFSU-GOSISDBHSA-N 399.510 3.532 0 40 GHAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)n1 65478371 GFWHENLKVOLMBS-UHFFFAOYSA-N 379.416 3.949 0 40 GHAB COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3cccc(F)c3)oc12 67293879 ORDOKJBKPHRQTN-QEQSUZCXSA-N 396.418 3.722 0 40 GHAB O=C(Cn1ccc2c(Cl)cccc21)N1CCC(c2nnc3ccccn23)CC1 71286671 MCRNEJLBLACJNK-UHFFFAOYSA-N 393.878 3.744 0 40 GHAB COc1ccccc1Cc1cccc(C2CCN(C(=O)c3coc(C)n3)CC2)n1 72350465 KRGQHHSOCNMDBG-UHFFFAOYSA-N 391.471 3.997 0 40 GHAB COc1cccc(Cc2cccc([C@H]3CCCN3C3CCN(C(C)=O)CC3)n2)c1 72358192 IJNCOYDFXKVQTM-XMMPIXPASA-N 393.531 3.829 0 40 GHAB COCCn1cc(CCC(=O)Nc2cccc(-c3nc[nH]n3)c2)c2ccccc21 79485560 RGVWAKRFWNIFJF-UHFFFAOYSA-N 389.459 3.644 0 40 GHAB Cc1nc(-c2nn3c(Cc4cccc(OC(F)(F)F)c4)nnc3s2)co1 79485762 DLSILSNUEJMSED-UHFFFAOYSA-N 381.339 3.639 0 40 GHAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1ccc(OCC(F)(F)F)nc1 84459402 VGZGAEGSYLNLFF-CQSZACIVSA-N 384.329 3.806 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 90504289 IJISPOPHEUBSHP-INIZCTEOSA-N 391.471 3.595 0 40 GHAB O=C(O)CC[C@H]1COCCN1C(=O)OCC1c2ccccc2-c2ccccc21 90694563 WSFJOVZKNJSBBN-HNNXBMFYSA-N 381.428 3.501 0 40 GHAB Cc1nc(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c2ccccn12 95436617 YQOSBQFBIBMQQQ-UHFFFAOYSA-N 395.850 3.595 0 40 GHAB CC(=O)c1csc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 95951173 WPKPXLVEYXREMO-UHFFFAOYSA-N 382.323 3.667 0 40 GHAB O=C(CSc1nc2ccccc2s1)N1CCC(Oc2ccccn2)CC1 96024659 IKCWORLMJJJKIL-UHFFFAOYSA-N 385.514 3.853 0 40 GHAB O=C(Cc1cccnc1)N1CCC2(CCN(Cc3ccc(F)cc3)CC2)CC1 96047333 YLSWITUMHGXTQG-UHFFFAOYSA-N 381.495 3.668 0 40 GHAB CCc1ccccc1NC(=O)N1CC[C@]2(CC[C@@H](C(=O)N3CCCC3)O2)[C@@H](C)C1 96087384 RDMBXKMWPCDHMD-KPDCDPCYSA-N 399.535 3.663 0 40 GHAB FC(F)(F)c1ccc(O[C@H]2COCCN(c3nc4ccccc4s3)C2)nc1 96113229 XKENRSXDTIUJFW-CYBMUJFWSA-N 395.406 3.994 0 40 GHAB biogenic,in-vitro Cc1nc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)sc1C 100117517 JIUBTQDPOUSQCC-YGVKSYSMSA-N 396.516 3.686 0 40 GHAB COc1ccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)cc1OC 101016759 FRTBAASDFNWANW-CQSZACIVSA-N 376.250 3.769 0 40 GHAB O=C1[C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 101275587 TYPSJEUQZVJDSR-HIFRSBDPSA-N 395.629 3.939 0 40 GHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)COc2ccc3c(c2)CCC3)C1 102003944 BYKLBXOKAFLMPH-FDDCHVKYSA-N 385.504 3.525 0 40 GHAB CC(=O)[C@@H](CC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)c1ccccc1 102219514 LODDISNMZVZTMT-JOCHJYFZSA-N 377.484 3.946 0 40 GHAB CC(=O)c1csc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)c1 106629558 VZMIZWBJPZWPQO-UHFFFAOYSA-N 383.404 3.989 0 40 GHAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 113949877 GFCAMRLDQGWEAE-QGZVFWFLSA-N 386.517 3.778 0 40 GHAB Cc1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CCC[C@@H](C(=O)O)C2)n1 217362038 MAEHRBYJUKZIBG-GFCCVEGCSA-N 380.370 3.848 0 40 GHAB Cc1cccc(CN2CCC(C(=O)NCc3nc(-c4ccccc4)no3)CC2)c1 219406834 ZMBHCKXZRXBOPB-UHFFFAOYSA-N 390.487 3.573 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(C)c1C 223034643 FDNBXIPQEUMNLT-INIZCTEOSA-N 375.490 3.893 0 40 GHAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1 223415599 CNDQLYOZLFZOCE-RTWAWAEBSA-N 392.528 3.910 0 40 GHAB CCCC[C@H](CC)CNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 223676353 JGGOGSSQLUTFRY-HNNXBMFYSA-N 388.961 3.747 0 40 GHAB Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224108407 JMYOVFXQZJUJND-IBGZPJMESA-N 382.504 3.563 0 40 GHAB CN(c1ccc(Cl)c(C(=O)N2CCCCC2)c1)S(=O)(=O)c1ccccc1 224328552 VSCITEKQTZEGON-UHFFFAOYSA-N 392.908 3.791 0 40 GHAB CCCSc1nnc(NC(=O)C2CCN(Cc3ccccc3)CC2)s1 224779009 NUOZFOYOSYDVPG-UHFFFAOYSA-N 376.551 3.891 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 225100624 SCEVTLNITUPTQA-OAQYLSRUSA-N 382.504 3.707 0 40 GHAB CCCNC(=S)Nc1nc(N2C[C@@H](C)C[C@H](C)C2)cc(C(F)(F)F)n1 225887025 GXCKOMYCCGPJHH-QWRGUYRKSA-N 375.464 3.674 0 40 GHAB Cc1cc(NC(=S)NC(=O)c2ccccc2F)cc(Br)c1O 226243685 PLYKVRBYGKCZQI-UHFFFAOYSA-N 383.242 3.729 0 40 GHAB Cc1cc(N2C(=O)OC[C@H]2C(C)C)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1 257257593 KQHSVQYHABFCHY-INIZCTEOSA-N 388.512 3.518 0 40 GHAB COc1cccc(CC(=O)NC[C@H]2CC[C@H](c3nn(C)c4ncccc43)CC2)c1 257287859 PRTVCJBGONFRNN-SAABIXHNSA-N 392.503 3.610 0 40 GHAB CCOC(=O)[C@@]1(CC)C[C@H]2[C@H](O[C@H]1C)c1cc(C(=O)O)ccc1OC2(C)C 257316256 VEVPNFSXJPRJHX-GEALGPMYSA-N 376.449 3.981 0 40 GHAB CC[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(C)c(C)c1 260845543 SUEFYOKRXAISJJ-PMACEKPBSA-N 388.533 3.503 0 40 GHAB COc1ccc([C@H](C)NC(=O)N2CCN(c3cccs3)CC2)c(C)c1OC 513401159 FJGNQSVQWADDMB-HNNXBMFYSA-N 389.521 3.667 0 40 GHAB O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1cc(-c2ccccc2)on1 541275229 XJTPKKPYEOVEEK-UHFFFAOYSA-N 392.390 3.893 0 40 GHAB O=C(NC[C@H](OCCO)c1cccs1)NC(c1ccccc1)c1ccccc1 575621524 PCXXHDWTSRSICW-IBGZPJMESA-N 396.512 3.887 0 40 GHAB O=C(NC[C@H](Cc1ccccc1)c1ccccc1)N1CCC(O)(C2CC2)CC1 585098922 RTCCYOOVWSXASW-NRFANRHFSA-N 378.516 3.959 0 40 GHAB Cc1cc(CN2CCc3oc(C(=O)N4C[C@@H](C)C[C@H](C)C4)nc3C2)ccc1F 585112859 WEJMANGFYFTIMZ-GJZGRUSLSA-N 385.483 3.799 0 40 GHAB NC(=O)[C@@H]1CC[C@H](c2nc(C3(c4cccc(Cl)c4)CCCCC3)no2)O1 585123384 JMGLQFSQYZJGIN-LSDHHAIUSA-N 375.856 3.679 0 40 GHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1ccccc1F 585148068 FHLHSCBYECGXII-QGZVFWFLSA-N 377.462 3.566 0 40 GHAB O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCOC[C@H]1c1cccc(F)c1 657170069 JWNRKWIQXMSGRE-LBPRGKRZSA-N 395.399 3.668 0 40 GHAB COc1cc(NC(=O)Nc2ccn(C3CCOCC3)n2)cc(Cl)c1OC 667287482 IPHWOFQKNUZQAT-UHFFFAOYSA-N 380.832 3.549 0 40 GHAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)[C@H]3CCCO3)c(=O)[nH]c12 790257 YXBIPCXVDAKKLN-HXUWFJFHSA-N 376.456 3.544 0 40 GHAB Cc1c(C(=O)Nc2ccccc2)sc2ncn([C@H](C)C(=O)OC(C)C)c(=O)c12 791182 KLQZJDYQSUMUES-CYBMUJFWSA-N 399.472 3.531 0 40 GHAB CCOC(=O)[C@]1(C)C=C(Nc2ccc(OCC)cc2)C(=O)N1c1ccccc1 2343003 QLJKDEXFKOHEPG-QFIPXVFZSA-N 380.444 3.750 0 40 GHAB Cc1cccn2c(=O)c3cc(C(=O)Nc4cccc5ccccc45)n(C)c3nc12 2358238 BOPDCYCNZICAPQ-UHFFFAOYSA-N 382.423 3.900 0 40 GHAB CCOc1ccc([C@H]2C[C@H](c3ccc(OCC)cc3)n3nc(N)nc3N2)cc1 2472256 OUHDPOLNKRTPMQ-RTBURBONSA-N 379.464 3.804 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2cccc3ccccc23)c(OC)c1OC 3219471 WKWPFPUZBLHNPK-UHFFFAOYSA-N 395.411 3.661 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc1 3240611 YUTJFWIRZATNFM-JXFKEZNVSA-N 396.487 3.574 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)c3cccc(Cl)c3)ccc12 3262066 PEWBNFAQMFXISF-UHFFFAOYSA-N 386.787 3.560 0 40 GHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)c2ccc(C)cc2)cc1 3270762 JCMVRFCZPLZINR-IEBWSBKVSA-N 380.473 3.546 0 40 GHAB O=C(O)c1ccccc1S[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 3308025 ISKZGTXVDQEWJU-SJLPKXTDSA-N 391.514 3.767 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1OC 3400248 XGPHNEREVBEDQA-UHFFFAOYSA-N 383.473 3.783 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 3488249 GHLIMWIJQCNBJO-ROUUACIJSA-N 393.483 3.887 0 40 GHAB CC(C)(C)n1nc2c(c1NC(=O)C13CC4CC(CC(C4)C1)C3)C[S@](=O)C2 4105951 AITHZLRSRYLWOR-PXIMEDBNSA-N 375.538 3.555 0 40 GHAB CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CCN(CC)C2 4223406 JXNVTUCKTRUXDS-UHFFFAOYSA-N 386.517 3.874 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(s1)CCc1ccccc1-2 4517712 TYDVDRVBQWHOAS-UHFFFAOYSA-N 384.482 3.565 0 40 GHAB COc1ccc(Cc2nnc(NC(=O)/C=C/c3ccc4c(c3)OCO4)s2)cc1 4553358 OFMURUFPIWLLLP-WEVVVXLNSA-N 395.440 3.518 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1oc2ccccc2c1C 4581806 ZRIUYWMVEXAACF-UHFFFAOYSA-N 383.400 3.903 0 40 GHAB COc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)O)cc1OC 5556471 ISJRUGIMHBPUBM-UHFFFAOYSA-N 384.384 3.557 0 40 GHAB CCC(=O)c1ccc(OCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 6789663 OTPQVDMUKFNZPK-QHCPKHFHSA-N 397.471 3.943 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1cccc(C)c1)S2 6811781 AUXPRCTVVNDCKY-ZWKOTPCHSA-N 379.489 3.547 0 40 GHAB COc1cccc(NC(=O)COc2ccc(C(=O)NCc3cccs3)cc2)c1 6879413 BNYVMJLUWCTMHP-UHFFFAOYSA-N 396.468 3.704 0 40 GHAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1cc(Cl)c3c(c1)OCCCO3)C2=O 7084185 QQLUIGFEOFMOAQ-BUXKBTBVSA-N 378.856 3.502 0 40 GHAB NC(=O)N[C@@H](CC(=O)OCCSc1ccccc1F)c1ccc(Cl)cc1 7510978 GEWUZWNLEWGYBW-HNNXBMFYSA-N 396.871 3.914 0 40 GHAB C[C@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1ccco1 7546626 VVFKHEBNPUMRLJ-LBPRGKRZSA-N 388.518 3.828 0 40 GHAB CCc1ccc2c(COC(=O)CSCc3c(C)noc3C)cc(=O)oc2c1 7985621 HACHXKDDXQKRLO-UHFFFAOYSA-N 387.457 3.937 0 40 GHAB COc1ccc(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1OC 8015159 ILACTBISCSCVFU-UHFFFAOYSA-N 388.895 3.639 0 40 GHAB CCOc1c(Br)cc(CNCc2ccc(C(=O)O)cc2)cc1OC 8253355 DGQTUZAZSKKLMI-UHFFFAOYSA-N 394.265 3.844 0 40 GHAB O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc2c(c1)OCCO2 8313646 UXJQMGOTGASYPK-GOSISDBHSA-N 379.865 3.541 0 40 GHAB COc1cc(CNC(=O)[C@H](C)Sc2ccc(C)cc2)cc(OC)c1OC 8361700 IHFINVVGOBYTTC-AWEZNQCLSA-N 375.490 3.818 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCc3n[nH]c(-c4ccccc4)c3C2)cc1OC 8743165 HVSNIWGHMXXKSH-PKNBQFBNSA-N 389.455 3.692 0 40 GHAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3nc4ccc(C)cc4s3)n2)cc1 9206026 YKOHZFVMMXHSKY-UHFFFAOYSA-N 376.441 3.711 0 40 GHAB Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=N[C@@H]2[C@H]1CC=CCC1 9698399 QPTNASMQKBVINM-YJBOKZPZSA-N 383.883 3.631 0 40 GHAB O=C(CCNC(=O)c1ccco1)Nc1nc(-c2cc3ccccc3o2)cs1 9870960 UVCBYSFWJATANQ-UHFFFAOYSA-N 381.413 3.908 0 40 GHAB O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 9980704 AXCNPYWTORARKX-UHFFFAOYSA-N 376.500 3.734 0 40 GHAB CN(c1ccc(C(=O)N2CCc3ccccc32)cc1)S(=O)(=O)c1ccccc1 10449221 RXYOSQFNYBCUKG-UHFFFAOYSA-N 392.480 3.715 0 40 GHAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 10784947 MQSHWCWHQLDCEW-CQSZACIVSA-N 384.910 3.583 0 40 GHAB C[C@@]1(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)Cc2ccccc2C(=O)O1 10867043 ZNALMWFXDJFLAC-QFIPXVFZSA-N 390.395 3.642 0 40 GHAB COc1cc(NC(=O)[C@H](C)OC(=O)Cc2c(F)cccc2Cl)cc(OC)c1 11028479 UTGXBGOWBNABFR-NSHDSACASA-N 395.814 3.609 0 40 GHAB COc1cccc2cc(/C=C/C(=O)O[C@H](C)C(=O)N3CCc4ccccc43)oc12 11580015 XYWUEVIBZOFVQK-AUECHBEKSA-N 391.423 3.976 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)O[C@H](C)c1nnc(-c2cccc(C)c2)o1 11581326 RVXWSPJETYGKOJ-OAHLLOKOSA-N 389.411 3.776 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 12088600 NUKWOAVERSJPFM-QGZVFWFLSA-N 378.501 3.857 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)Cc3ccccc3F)C2)n1 12088615 SEPLTOXWCRBZIY-IBGZPJMESA-N 390.462 3.935 0 40 GHAB CCOc1ccc(CCC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1 12275791 VTLIDLJLUHDWOD-UHFFFAOYSA-N 382.489 3.612 0 40 GHAB Cc1ccc(-c2noc(CN3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1 12284529 IFBDJYJQSDVTEY-GOSISDBHSA-N 376.460 3.896 0 40 GHAB O=C(c1cccc(F)c1)N1CCCc2cc([C@H](O)CN3CCCCC3)ccc21 12291545 ZZSQRJCAADJWCR-JOCHJYFZSA-N 382.479 3.938 0 40 GHAB O=C(OCc1cc(-c2ccccc2)no1)C1CCN(C(=O)c2cccs2)CC1 12796869 AEOUWMOCFLGBTA-UHFFFAOYSA-N 396.468 3.999 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)Nc1nc(CN2CCCCCC2)cs1 12870132 XKFRFMGNJYJSBS-UHFFFAOYSA-N 387.505 3.819 0 40 GHAB Cc1sc(NC(=O)c2cnccn2)nc1-c1ccc(Br)cc1 12928041 GHJNJLFJDJYEJW-UHFFFAOYSA-N 375.251 3.923 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1 12949358 AUWZYQVSFUFMMJ-SFHVURJKSA-N 378.563 3.808 0 40 GHAB CCC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1C 13012387 LMJFFJFJCFSKCU-IBGZPJMESA-N 395.459 3.713 0 40 GHAB COCc1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1ccco1)C3 14607770 ZRIFANVXVNLYCN-CYBMUJFWSA-N 392.390 3.583 0 40 GHAB CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 15343968 MZGQASPVBSBKAT-UHFFFAOYSA-N 394.496 3.784 0 40 GHAB CCCNC(=S)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 17079545 KGEGUQCEUPMQIV-UHFFFAOYSA-N 389.546 3.525 0 40 GHAB Cc1cc2cc(C(=O)N3CCC(c4ncc5c(n4)CCN(C)C5)CC3)ccc2o1 19126352 HURQHUKAMPDFIG-UHFFFAOYSA-N 390.487 3.539 0 40 GHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C[C@@H]3C=CCC3)C1)N2 19127629 BTLVHOIHMIQRPD-WCXIOVBPSA-N 378.467 3.777 0 40 GHAB Cc1ccc([C@@]2(O)CC[C@@H]3CN(Cc4cc(Cl)c5c(c4)OCO5)C[C@@H]32)nc1 19216112 WAGGVAWITOETMB-VWKPWSFCSA-N 386.879 3.502 0 40 GHAB Cc1ccc2nc(CCc3ccc(NC(=O)[C@@H](C)Cn4cncn4)cc3)[nH]c2c1 19221544 VZYODTDJOHIOMH-INIZCTEOSA-N 388.475 3.523 0 40 GHAB Cc1nccn1CC1(O)CCN(C(=O)[C@@H](c2ccccc2)C2CCCCC2)CC1 19287797 COVDCNNRIKXTSA-QFIPXVFZSA-N 395.547 3.909 0 40 GHAB CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)c3ccccc3)CC2)n1 19525822 YTJMXHWKCJYINT-UHFFFAOYSA-N 375.476 3.839 0 40 GHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(CC2CC2)C1 19591652 WHNCHZXUDOFINP-XMMPIXPASA-N 378.516 3.753 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2-n2ccnc2)cc1 19715429 YULQGPFFOWWKHM-FQEVSTJZSA-N 376.460 3.657 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H]2c2ccc3c(C)nn(-c4ccccc4)c3n2)cn1 19742352 DMXPGIHNQXCNGI-OAQYLSRUSA-N 398.470 3.805 0 40 GHAB COc1ccccc1CN(C)C(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 20049757 OPAGCHSLSFQBDK-AWEZNQCLSA-N 375.490 3.852 0 40 GHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2C[C@H]1C 20449246 HYKQBOUVQLKZAT-MRXNPFEDSA-N 386.517 3.965 0 40 GHAB CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4F)CC3)n[nH]2)cc1 21017125 AUACHJIZSPGERM-UHFFFAOYSA-N 394.450 3.577 0 40 GHAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 21840766 CHNRKOVVQFCYTR-JEYQBLLFSA-N 384.451 3.572 0 40 GHAB Clc1cccc2ccc(CN(CCN3CCOCC3)Cc3cccnc3)nc12 22931493 OIEUFGQUBPFEDL-UHFFFAOYSA-N 396.922 3.618 0 40 GHAB CC(=O)Nc1cccc(NC(=O)COc2ccc(Br)cc2F)c1C 22993716 BXSDXYKRVCKGSP-UHFFFAOYSA-N 395.228 3.873 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)c(Cl)c1 23042535 QYHIWPDJUGUZFJ-UHFFFAOYSA-N 394.909 3.729 0 40 GHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)c1cccs1)CC3 23134234 RRMHZIFHKXZJTC-UHFFFAOYSA-N 396.468 3.564 0 40 GHAB C[C@H]1CN(CCCNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@H](C)O1 23509608 RCADCYLXYKKLIZ-IRXDYDNUSA-N 386.467 3.847 0 40 GHAB CCc1c(C(=O)NCc2ccccc2Cn2ccnc2)cnn1-c1ccccc1 24437759 PPVQEACZQLKKER-UHFFFAOYSA-N 385.471 3.610 0 40 GHAB CSc1ccccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 24808646 MPEXHFBNWXAOFK-UHFFFAOYSA-N 381.423 3.785 0 40 GHAB c1ccc(CN2CCOCC2)c(CNc2ncnc3sc4c(c23)CCC4)c1 25539678 GTYGHMGAYGCPMI-UHFFFAOYSA-N 380.517 3.624 0 40 GHAB Cc1cc(-n2c(C)cc(-c3csc(CC(=O)NCc4ccco4)n3)c2C)no1 26161520 GJAXDROXGCQJPI-UHFFFAOYSA-N 396.472 3.966 0 40 GHAB CNc1snc(C)c1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 27575808 BTLIBOZWMVUYAE-CQSZACIVSA-N 378.567 3.758 0 40 GHAB COCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1c(F)cccc1Cl 27587750 RQZQOHJNLVYXAM-LBPRGKRZSA-N 375.831 3.701 0 40 GHAB Cc1nn(C)c(C)c1CNC(=O)c1ccc(COc2ccc(F)cc2Cl)o1 28238396 BHIKTVALGWHNOF-UHFFFAOYSA-N 391.830 3.931 0 40 GHAB Cc1cc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c2c(C)nn(C)c2n1 28242052 AVKIVQZCUPEQJP-UHFFFAOYSA-N 380.839 3.677 0 40 GHAB Cc1cccc(C)c1Nc1nnc(SCc2ccco2)n(-n2cccc2)c1=O 28536340 ZLSUZXHQDCTNGZ-UHFFFAOYSA-N 393.472 3.997 0 40 GHAB COc1cc(OC)c(N[C@@H](C)C(=O)Nc2ccccc2C(C)=O)cc1Cl 28797940 RDLOLLQHIMNWJI-NSHDSACASA-N 376.840 3.999 0 40 GHAB C[C@H]1CN(c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cn2)C[C@@H](C)O1 30018764 IWRRHVCIPXUYMM-IYBDPMFKSA-N 383.467 3.639 0 40 GHAB Cc1ccc(N(Cc2ccco2)C(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 32407381 VIIHXWAQAKXJHT-SFHVURJKSA-N 376.460 3.828 0 40 GHAB CNC(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 32794938 KDPTVZVDMVBPPQ-NSHDSACASA-N 380.275 3.913 0 40 GHAB COc1ccccc1CN1[C@H]2CCC[C@@H]1CC(NC(=S)NCC(C)C)C2 35289801 QXAXVXPUHLUHME-YQQQUEKLSA-N 375.582 3.701 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H](c3nnc(Cc4ccc(F)cc4)o3)C2)cc1 35596885 WYFKYRQODABPMN-KRWDZBQOSA-N 395.434 3.828 0 40 GHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc2cn[nH]c12 36393455 YRZMBGRPHNRTQD-UHFFFAOYSA-N 390.365 3.683 0 40 GHAB CCN(CC(=O)NC(C)C)C(=O)CSC(c1ccccc1)c1ccccc1 36725608 JZYSASRSYUYLRO-UHFFFAOYSA-N 384.545 3.882 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 37224355 BPXVROLCHNFTIG-OXQOHEQNSA-N 393.487 3.596 0 40 GHAB S=C(NCc1ccc(CN2CCOCC2)cc1)Nc1ccc(Cl)cc1 38561239 MBERJZVJLCBOPN-UHFFFAOYSA-N 375.925 3.659 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c(C)c1 38752901 ATSLTEDBBFJXTN-CYBMUJFWSA-N 380.897 3.819 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1 48020323 IVQBXCRWDJESKD-IBGZPJMESA-N 392.459 3.898 0 40 GHAB Cc1c(Cl)c(COC(=O)Cn2ncc(=O)c3ccccc32)nc2ccccc12 52477580 VSLUXKNAZXCGTB-UHFFFAOYSA-N 393.830 3.650 0 40 GHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@H](C)Cc3c(F)cccc3F)c12 54575229 SDFAEESSZFSEKO-LLVKDONJSA-N 384.430 3.793 0 40 GHAB Cc1oncc1C(=O)Nc1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1 57236345 BGSYJRSZILIUNZ-UHFFFAOYSA-N 375.428 3.905 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccc(C)c(F)c2)c(-c2ccc(F)cc2)n1 57508686 KZRKJOIKRUTPHG-UHFFFAOYSA-N 383.398 3.698 0 40 GHAB CC(=O)c1ccc(NC(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 57711514 KWWZPRXDJLUUMW-UHFFFAOYSA-N 385.895 3.612 0 40 GHAB C[C@H]1CCN(C(=O)CN2CCN(c3ccccc3)CC2)c2ccccc2S1 58146853 ICCSOVRCWYGOHG-SFHVURJKSA-N 381.545 3.726 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)NC2(c3ccc(F)cc3)CCCC2)CC1=O 58296859 IGIREXYQNKPUTR-INIZCTEOSA-N 396.462 3.773 0 40 GHAB O=C(C[C@@H]1CCCO1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58369499 RFSCORVHOWPVGQ-HNNXBMFYSA-N 375.419 3.630 0 40 GHAB COc1ccc(C)cc1NC(=O)Cn1cnc(-c2ccccc2)c1-c1c[nH]cn1 65493504 FYGOWQSOZDLGGM-UHFFFAOYSA-N 387.443 3.896 0 40 GHAB CCOc1ccc(C(=O)NCCc2nc(-c3cccs3)cn2C)cc1OCC 90606967 AUOUFSBUNSSKLZ-UHFFFAOYSA-N 399.516 3.919 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)C(=O)N(C)Cc1ccc(F)c(F)c1 95367662 JXAOLHRYSMIUFD-UHFFFAOYSA-N 382.794 3.532 0 40 GHAB C[C@@H](O)C[C@H](CNC(=O)NC1(c2noc(C3CC3)n2)CCCC1)c1ccccc1 95413645 RQWVCPHNMLHKEQ-CRAIPNDOSA-N 398.507 3.570 0 40 GHAB CCc1nn2c(O)cc(-c3cnn(CC)c3)nc2c1-c1ccc(OC)c(OC)c1 100776474 KBZIRCBUSZCBTP-UHFFFAOYSA-N 393.447 3.565 0 40 GHAB O=C(c1ccc(F)c(F)c1)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101323111 KIUIMXIWFMMIIZ-GJZGRUSLSA-N 391.439 3.574 0 40 GHAB COc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)c1 101867808 LBEJLKFWOWFLSF-VHKYSDTDSA-N 392.455 3.873 0 40 GHAB O=C(CCc1ccc2c(c1)OCCO2)NCc1ccc(CN2CCCCC2)cc1 139135857 AWRCVCXORNWUNM-UHFFFAOYSA-N 394.515 3.693 0 40 GHAB C[Si](C)(C)c1ncc(I)c(C(F)(F)F)c1Cl 195900829 GFIRREYYSCYOIO-UHFFFAOYSA-N 379.623 3.904 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 222430833 BRVMNUYPDRGKJO-SFHVURJKSA-N 396.531 3.835 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1 222995441 IGQIQAAGDBRXLJ-IBGZPJMESA-N 382.504 3.707 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)c1 223901518 YPLRXTJZGYAFMY-UHFFFAOYSA-N 395.908 3.903 0 40 GHAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 224159735 RPCKWCDQXWAOBQ-WOJBJXKFSA-N 378.501 3.707 0 40 GHAB CCCO[C@](C)(C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1)C1CC1 225671441 JIIDJEFQXMXWQL-QFIPXVFZSA-N 388.508 3.612 0 40 GHAB COc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=S)NC(=O)C(C)(C)C 226350931 HIWUFYNXLXXMDO-UHFFFAOYSA-N 376.434 3.513 0 40 GHAB CCc1n[nH]c(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)c1C 257261676 LIJPSFBLRJJHTH-GOSISDBHSA-N 382.439 3.976 0 40 GHAB Cc1ncsc1C(=O)N1CC[C@H](Cc2cccc(-c3c(C)noc3C)n2)C1 257321726 WCZBZJGZHLPYGQ-OAHLLOKOSA-N 382.489 3.823 0 40 GHAB COc1cccc(CN2C(=O)CCC[C@@H]3[C@H]2CCN3Cc2cnc(C)s2)c1 257336489 YOSCESSFVXSCEH-WOJBJXKFSA-N 385.533 3.616 0 40 GHAB CCc1ccc(CN2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)cc1 306144387 ZDUPMRDAUSLZAX-UHFFFAOYSA-N 398.514 3.676 0 40 GHAB COc1ccc(CCS(=O)(=O)NCCc2ccc(-c3ccoc3)s2)cc1 390830766 NEHBPSGKNXKRFR-UHFFFAOYSA-N 391.514 3.721 0 40 GHAB O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1)Nc1ccccc1 408560881 FKKZQGIUIKZEII-UHFFFAOYSA-N 384.819 3.881 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)Nc1cc(-c2ccc(Cl)cc2)[nH]n1 408712915 BELJZYWOKYUCIL-UHFFFAOYSA-N 377.853 3.848 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(O)c(OCC)c1 408731528 NLJVHUCMVLYTKL-HXUWFJFHSA-N 396.443 3.899 0 40 GHAB COCCn1ccc2c(C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)cccc21 524733909 COQLSKMSVIQNHP-IBGZPJMESA-N 394.471 3.722 0 40 GHAB C[C@H](c1ccsc1)N1CCN(C(=O)NCCc2cccc3[nH]ccc23)CC1 572344224 PDICBUFDGYQHES-MRXNPFEDSA-N 382.533 3.860 0 40 GHAB CC(C)c1ccc(-c2csc(NC(=S)NC3=CCS(=O)(=O)C3)n2)cc1 575424469 ALLJHHNNRQREJX-UHFFFAOYSA-N 393.559 3.532 0 40 GHAB O=C1C[C@H](c2nc(-c3ccc4nn[nH]c4c3)no2)CN1c1cccc2ccccc12 583907112 DPDDNHOHFNMUEO-HNNXBMFYSA-N 396.410 3.682 0 40 GHAB N=c1[nH]cnc2cc(C(=O)N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)ccc12 614375652 UEBWQURKFCOHAC-CTYIDZIISA-N 386.377 3.737 0 40 GHAB Cc1c(Cl)cccc1OCC(=O)N1CCN[C@@H](c2ccc(Cl)cc2)C1 1630797249 ONSHHPRNSJGHKX-QGZVFWFLSA-N 379.287 3.854 0 40 GHAB CC(=O)N1CCC[C@@H]2N(C(=O)c3cccnc3-c3scnc3C)CCC[C@@]21C 1848353227 JTWWGQYDZYSYBQ-UWJYYQICSA-N 398.532 3.519 0 40 GHAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC3CCC(F)(F)CC3)C2)n(-c2ccccc2)n1 2332241674 URTKKRXQZOLFBB-KFKAGJAMSA-N 390.478 3.740 0 40 GHAB COc1ccc(-c2nsc(NC(=O)[C@H](C)Oc3ccccc3OC)n2)cc1 12111384 XJLWZPHCLSZXQO-LBPRGKRZSA-N 385.445 3.628 0 40 GHAB Cn1c(NC(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)nc2ccccc21 2776611 DIVFKRZLJFYIDI-UHFFFAOYSA-N 382.374 3.683 0 40 GHAB COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)N2CCCCC2)c1C 676547 KWLWWAWVMIRFAZ-UHFFFAOYSA-N 386.473 3.722 0 40 GHAB CCOC(=O)C1=C(NC(=O)c2cc3ccccc3oc2=O)S[C@@H]2CCCC[C@H]12 887343 FZUKDOCYMSNRLM-XJKSGUPXSA-N 399.468 3.603 0 40 GHAB COc1ccc(CC(=O)OCC(=O)c2ccc(C)cc2)cc1Br 644539 LDAWRQODRXQOAW-UHFFFAOYSA-N 377.234 3.735 0 40 GHAB C[C@H]1CCc2c(sc3[nH]c(SCC(=O)NCc4ccccc4)nc(=O)c23)C1 1368098 RCIRMBWADAEJER-LBPRGKRZSA-N 399.541 3.518 0 40 GHAB O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)Nc1cccc2c1CCCC2 79101007 CIPDGUBEVSNWQC-IBGZPJMESA-N 391.515 3.778 0 40 GHAB Cc1c(CCC(=O)N[C@@H](C)C(=O)O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 2123074 VSSVMIJBBAGQFJ-LBPRGKRZSA-N 399.443 3.667 0 40 GHAB biogenic O=C(CCCc1nc2ccccc2c(=O)[nH]1)OCc1coc(-c2cccs2)n1 22982733 OCKIOKMQNSQWTA-UHFFFAOYSA-N 395.440 3.706 0 40 GHAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)C2)n1 4411234 BLDGZOWVLZWNSE-MRXNPFEDSA-N 392.425 3.645 0 40 GHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(O)c2)n2ncnc2N1 938895 AHFHOWFDHPUYKA-LJQANCHMSA-N 375.432 3.528 0 40 GHAB COc1ccc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c(OC)c1 4944714 WHWCTNRAAFUGFC-INIZCTEOSA-N 399.830 3.689 0 40 GHAB O=C(Nc1ccccc1F)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680766 ZWSAXUOAPPNKKN-UHFFFAOYSA-N 382.482 3.704 0 40 GHAB CCNc1c(NS(=O)(=O)c2ccc(Cl)s2)c(=O)oc2ccccc12 6784671 BSOKIGZZCOTTJH-UHFFFAOYSA-N 384.866 3.741 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 24335612 MLQKBMFJOPECRB-JOCHJYFZSA-N 396.531 3.553 0 40 GHAB Cc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)nc1 12523410 VXOIQUFNPYMZKI-UHFFFAOYSA-N 388.349 3.515 0 40 GHAB CCOc1cc(C(=O)NC[C@H]2CCN(C(C)C)C2)ccc1OCc1cccnc1 58104164 PQACLNJVEDJZGA-GOSISDBHSA-N 397.519 3.519 0 40 GHAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C[C@@H](C)O1 26361642 RFSRHNFXFWVGHZ-IYBDPMFKSA-N 392.499 3.516 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2cc(Cl)nc(Cl)c2)cc1Cl 3240469 NOACQGUPPMLNJY-UHFFFAOYSA-N 389.622 3.846 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccc(Cl)cc3)n2)cc1C 57486136 MKTMZRVNVUSARO-UHFFFAOYSA-N 395.890 3.539 0 40 GHAB COC(=O)c1cc(Oc2ncnc3sc4c(c23)CCC4)cc(C(=O)OC)c1 3284194 JLUQHWGRLLFMKG-UHFFFAOYSA-N 384.413 3.546 0 40 GHAB Cc1oc2ncn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)Nc1ccccc1 35673391 XWOYHCKVVGJGKI-UHFFFAOYSA-N 377.375 3.738 0 40 GHAB C[C@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)Cc4ccccc4)c3)C(=O)[C@@H]2C1 100744342 GJKUHIJCXMJRBY-RYGJVYDSSA-N 377.440 3.760 0 40 GHAB COC(=O)c1cccc(CS[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 29375843 LKORXKPUHGNNBT-CYBMUJFWSA-N 395.488 3.978 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)c1cccc(-c2nnn[nH]2)c1 12798425 JPAXAEDLYDMQSS-UHFFFAOYSA-N 383.455 3.819 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c1 12757723 YOVBPTITWOALFN-GJZGRUSLSA-N 397.471 3.958 0 40 GHAB FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCOCC3)n2)cc1 67898582 OWJBXQRBUVROQR-KRWDZBQOSA-N 381.398 3.648 0 40 GHAB biogenic,in-vitro CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1ccccc1F 12799966 ABDATOKRDKUCNM-UHFFFAOYSA-N 387.842 3.697 0 40 GHAB O=C(NCCc1ccc(Br)s1)c1cc(Cl)c2c(c1)OCO2 25245058 XIUUAIDZCWVVRS-UHFFFAOYSA-N 388.670 3.865 0 40 GHAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)NC(=O)NC1CCCC1 3347869 YWLCHUUSHYYXNZ-UHFFFAOYSA-N 398.843 3.619 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 10781226 VOQCNEXPWLDWDV-HNNXBMFYSA-N 386.879 3.528 0 40 GHAB O=C(NCc1coc(-c2cccs2)n1)N1CCO[C@H](c2ccc(F)cc2)C1 45345529 MXUQBQZUTQNBGI-INIZCTEOSA-N 387.436 3.825 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1 2327642 SYVSBLUQSDSWKQ-UHFFFAOYSA-N 379.416 3.793 0 40 GHAB Cc1ccc(-n2c(S[C@@H]3CCCCNC3=O)nnc2-c2ccccn2)c(C)c1 48374245 MSLVNEZAYJCGOI-GOSISDBHSA-N 393.516 3.707 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)n2N)c1 2399187 VIJNQRCPNNQDAP-UHFFFAOYSA-N 389.484 3.851 0 40 GHAB Cc1cccc(-n2c(S[C@H](C)C(N)=O)nnc2-c2c[nH]c3ccccc23)c1 28849251 VXBZJZMTVYNPCN-CYBMUJFWSA-N 377.473 3.690 0 40 GHAB CC(C)CCN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 2420897 XNSNEAXNRWYFBD-UHFFFAOYSA-N 388.518 3.710 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccccc1OC 2446968 OTHJOUCYYGOJSV-UHFFFAOYSA-N 398.488 3.713 0 40 GHAB O=C(CNc1ccccc1Br)Nc1ccc(N2CCCC2=O)cc1 11621446 MSHONWZXVINYTE-UHFFFAOYSA-N 388.265 3.627 0 40 GHAB O=C(CCCOc1ccc(Br)cc1)NCc1ccc2c(c1)OCO2 2618082 ASMGDWBUHQUALV-UHFFFAOYSA-N 392.249 3.653 0 40 GHAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 12062902 BPDKMWAFDQNISB-LJQANCHMSA-N 391.423 3.843 0 40 GHAB COc1ccc(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1OC 12818962 QCGBSLKKSZEVQD-UHFFFAOYSA-N 386.492 3.708 0 40 GHAB Cc1ccc(NC(=O)c2nn(-c3ccc(Br)cc3)ccc2=O)cc1C 27795239 SONHZQZQDXXKMH-UHFFFAOYSA-N 398.260 3.864 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)NCc1ccc(OC(F)(F)F)cc1 12914297 YLXZHNKOJUQZKS-UHFFFAOYSA-N 381.398 3.646 0 40 GHAB O=C(NCc1cccs1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 38487684 RUNFWIORCJEINK-UHFFFAOYSA-N 395.875 3.974 0 40 GHAB COc1ccc(OCc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 13693611 AMRFGMIGDFDBRV-UHFFFAOYSA-N 377.429 3.922 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1N1CCCCC1 9125698 JCXXHCJUQQBZGS-UHFFFAOYSA-N 382.460 3.906 0 40 GHAB CC(C)c1ccc([C@@H](NC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 9759073 QEOMXBYAUSIAAL-FQEVSTJZSA-N 381.524 3.829 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc(N)cc(N)n2)c2ccccc2)c1 5229203 SLYNOTZWNXIJST-SFHVURJKSA-N 379.489 3.730 0 40 GHAB CCc1ccc(C(=O)COC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)cc1 5233677 LRMYEXDISITNRT-NRFANRHFSA-N 381.472 3.738 0 40 GHAB CCOc1ccc(OCCCC(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 14198261 VGVDZVVWSFYKQV-UHFFFAOYSA-N 396.487 3.909 0 40 GHAB Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)cc1Cl)N(C)C=O 4568411 KMLOOJGRIQUYDE-QGZVFWFLSA-N 390.274 3.764 0 40 GHAB O=C(CN(Cc1cccs1)Cc1cccs1)Nc1ccc2[nH]c(=O)[nH]c2c1 14241892 XBTIAIBFFPCALH-UHFFFAOYSA-N 398.513 3.620 0 40 GHAB COc1ccc(C2=N/C(=C\c3ccc(C(=O)OCC(C)C)cc3)C(=O)O2)cc1 408729811 DIVBLWHGOMPCOQ-UNOMPAQXSA-N 379.412 3.853 0 40 GHAB COc1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1I 4615886 XXGHURZOVSYRSM-UHFFFAOYSA-N 385.176 4.000 0 40 GHAB CN1CCN(c2ccc(NC(=O)Cc3csc(-c4ccccc4)n3)cc2)CC1 6820696 CIUJYAOGPJNEHM-UHFFFAOYSA-N 392.528 3.743 0 40 GHAB O=C(CCCCCN1C(=O)CCC1=O)NC(c1ccccc1)c1ccccc1 6829432 OGUFQZFIVQXRNQ-UHFFFAOYSA-N 378.472 3.602 0 40 GHAB C[C@@H](Sc1nnc(-c2cc3ccccc3o2)n1C)C(=O)Nc1cccnc1 72191623 MAHPPPRFNRNHIH-GFCCVEGCSA-N 379.445 3.743 0 40 GHAB COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 4988766 ZEBKIWPPYDAPIY-YWZLYKJASA-N 384.428 3.681 0 40 GHAB COc1cccc(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1OC 7246633 QCPCMZCHECLHJP-UHFFFAOYSA-N 389.395 3.543 0 40 GHAB Cc1ccc(C)c(NC(=O)CCNC(=O)c2ccc(Br)cc2)c1 7983541 YQUXKTYRWSOEOF-UHFFFAOYSA-N 375.266 3.825 0 40 GHAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCc1ccccn1 8073357 JHMFYPIJNQPCNZ-UHFFFAOYSA-N 398.466 3.932 0 40 GHAB O=C(NCc1cccc(NC(=O)C2CCC2)c1)N[C@H]1CCOc2ccc(F)cc21 69062685 BKGOOLQWWBCNRZ-IBGZPJMESA-N 397.450 3.887 0 40 GHAB COc1ccc(C)cc1NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 20767789 CZLJZQKLTDLIDS-UHFFFAOYSA-N 391.452 3.992 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 9591104 BQNDLZXNFTYGTL-IBGZPJMESA-N 387.435 3.927 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(Br)c1 8349295 WULSPFDADRKJOV-CYBMUJFWSA-N 385.265 3.863 0 40 GHAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cccnc2)c1 17168867 VFHNNUYCTNQBOG-UHFFFAOYSA-N 384.439 3.873 0 40 GHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3O)[C@](O)(C(F)(F)F)[C@@H]2C1 409103634 DQSWRRAAEPVBHN-AEDCBLDQSA-N 384.398 3.917 0 40 GHAB COc1ccnc(N2CCC3(CC2)C[C@H]3c2nc(-c3cccc(Cl)c3)no2)n1 69668618 QWZPUWOZPUSKFS-HNNXBMFYSA-N 397.866 3.963 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@H](C)C(=O)Nc1ccccc1 18746837 JBUIAXPVAHOTAC-FOIQADDNSA-N 378.428 3.521 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900144 LPIWIGCARUBDPZ-OAQYLSRUSA-N 393.462 3.646 0 40 GHAB O=c1c(Br)nn(Cc2csc(-c3ccco3)n2)c2ccccc12 89866504 KRPBUECCNRTVOH-UHFFFAOYSA-N 388.246 3.924 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3ccccc3F)C[C@@H]2N1Cc1cccs1 306144000 YTBFFWHZPUMJMY-UXHICEINSA-N 381.476 3.770 0 40 GHAB CCN(CCCNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1)c1ccccc1 29955545 KKRDULYQUKHXSF-DTQAZKPQSA-N 391.515 3.859 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(CCC3CCCCC3)n2N)c1C 32946482 AHQLWQUEODCXKA-UHFFFAOYSA-N 387.553 3.852 0 40 GHAB CCCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)CC)CC2)cc1 408628804 ASAGRFFSINHKMJ-UHFFFAOYSA-N 395.503 3.786 0 40 GHAB Cn1c(COc2ccc3c(c2)OCO3)nc2cc(NC(=O)C(C)(C)C)ccc21 31820239 UESXPKLXRMKCOQ-UHFFFAOYSA-N 381.432 3.866 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C2CCCCC2)cc1 409003429 GBJYNMHVAMZBGT-UHFFFAOYSA-N 386.517 3.957 0 40 GHAB Brc1cncc(-c2nnc(-c3cncc(Br)c3)o2)c1 73634420 INHAOOCEWLXMCS-UHFFFAOYSA-N 382.015 3.719 0 40 GHAB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(O)c3)C(O)=NC2=S)cc1 33779285 CGCWGQSAVDBQBU-XNTDXEJSSA-N 382.441 3.635 0 40 GHAB Cc1ccc(NC(=O)Cn2c(=O)nc(-c3cccs3)c3nc(C)sc32)cc1 32615814 TYTRDALXPUKIMJ-UHFFFAOYSA-N 396.497 3.837 0 40 GHAB Cc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)n(C)n1 36616899 SGSNYFURVFKCRB-UHFFFAOYSA-N 386.459 3.901 0 40 GHAB Cc1cc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c(C)n1C1CC1 72339860 FRGIBFINAFRSMC-UHFFFAOYSA-N 375.476 3.556 0 40 GHAB Cc1cc(Br)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C 32601617 MDPQACJIWFLDOI-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB Cc1ccccc1Cc1cccc(C2CCN(C(=O)CN3CCCC3)CC2)n1 72349729 SRFZNKTXXNWCKD-UHFFFAOYSA-N 377.532 3.783 0 40 GHAB CCN(Cc1ccccc1NS(=O)(=O)c1cccc(Cl)c1C)C(C)=O 48356550 AMZYBWFDOQVLFB-UHFFFAOYSA-N 380.897 3.818 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(C3CC3)s2)c(Br)c1 40140347 CJKRIJSZAXSUMT-VIFPVBQESA-N 382.283 3.892 0 40 GHAB COc1ccc(-c2cc(C(=O)NCc3cc(-c4ccccc4)no3)no2)cc1 40324283 MYVBUIAAKPXUAB-UHFFFAOYSA-N 375.384 3.935 0 40 GHAB CC[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(OC)c(OC)c1 44856876 OXPHUOXTLQJLHG-LJQANCHMSA-N 379.460 3.830 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 223547000 SLZHGVSCZJBCDQ-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1C)N(c1ccccc1F)S(C)(=O)=O 220590604 IORDMGBWGFLWML-INIZCTEOSA-N 398.887 3.971 0 40 GHAB O=C(Nc1nnc([C@@H]2CCCO2)s1)c1csc(NCc2ccccc2)n1 44918745 MNZBMLDGUNUFLB-ZDUSSCGKSA-N 387.490 3.711 0 40 GHAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccncc2)S1 222602044 UAQUQCMOTDNAQC-YSSFQJQWSA-N 375.501 3.916 0 40 GHAB Fc1ccc(-c2cnc(Nc3cccc(C[C@H]4CNCCOC4)n3)s2)cc1 143345690 CXDRNKRXOKDJJN-AWEZNQCLSA-N 384.480 3.866 0 40 GHAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)Cn2cc(C)cn2)o1 257254812 KETOXPKPJFQSRY-LJQANCHMSA-N 394.475 3.533 0 40 GHAB NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CCC2)CC1 257234128 GSGVZSLGDWVABX-UHFFFAOYSA-N 394.490 3.929 0 40 GHAB COc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H](c3nc(C)no3)C2)cc1F 252489521 JSJPAFIVECACKE-IRXDYDNUSA-N 381.407 3.549 0 40 GHAB Cc1cc(C)cc(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccccc2)c1 260897338 LHUYFWZQXUNKHY-GOSISDBHSA-N 388.533 3.659 0 40 GHAB Cc1cc(C)cc(N(C)C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)c1 607300211 DQEOKUCRYSBIKK-IBGZPJMESA-N 380.488 3.584 0 40 GHAB COc1ccc(-c2noc([C@@H]3CCN(Cc4cccc(OC)c4OC)C3)n2)cc1 585172039 CBXORDLPEJAPDG-QGZVFWFLSA-N 395.459 3.752 0 40 GHAB O=C1[C@H](Nc2ccc(N3CCCCC3)cc2)CCN1c1cccc([N+](=O)[O-])c1 67452024 QJHTWDKKBLCHOZ-HXUWFJFHSA-N 380.448 3.803 0 40 GHAB Cc1oc(-c2ccccc2)nc1CN1CCN(c2nncc3ccccc23)CC1 89548113 MHFMUPDGINRGQJ-UHFFFAOYSA-N 385.471 3.915 0 40 GHAB O=C(Nc1ccccc1F)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549160738 BFMYVERCMKUMKM-UHFFFAOYSA-N 383.423 3.556 0 40 GHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O 7077877 HISORIYBJNKSRL-XSHGTHSTSA-N 398.824 3.626 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)CC1 5246969 UAKGRTOWVTVOPI-UHFFFAOYSA-N 396.487 3.714 0 40 GHAB O=C(NCc1nc(-c2ccncc2)n[nH]1)[C@H](c1ccccc1)C1CCCCC1 12114802 XBOYERPEPXRCGC-HXUWFJFHSA-N 375.476 3.847 0 40 GHAB CCOc1ccc(C(=O)N2CCC(c3ncncc3-c3ccncc3)CC2)o1 12117240 FUYYJYULUUNJEJ-UHFFFAOYSA-N 378.432 3.550 0 40 GHAB O=C(NC1CCN(Cc2cccc(F)c2)CC1)[C@@H]1Cc2cc(Cl)ccc2O1 12201722 YQBSTLBFNOHDKS-FQEVSTJZSA-N 388.870 3.563 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C4CC4)C3)cc2n1 12220355 CMCRBIPGHKGZHA-ZDUSSCGKSA-N 380.414 3.988 0 40 GHAB Cc1ccc(CCC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)s1 12669352 VKGVHKVTEZJSIP-UHFFFAOYSA-N 382.489 3.840 0 40 GHAB CN(CCCNC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 17840642 INDMRTJFFXLAOQ-UHFFFAOYSA-N 381.501 3.978 0 40 GHAB Cc1cc(=O)cc([C@@H]2CCCN(C(=O)c3ccc4[nH]c(C(C)C)nc4c3)C2)[nH]1 19570258 MLWSRNATQNEEER-MRXNPFEDSA-N 378.476 3.703 0 40 GHAB Cc1cc(C)n(-c2cccc(CN(CCCN(C)C)Cc3ccccn3)c2)n1 19574777 KXOOAVPYBRNVRZ-UHFFFAOYSA-N 377.536 3.838 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](c2ccc(F)cc2)N(C)C)c(OC)c1 19581584 OYDFBDDHVMLGIT-PZJWPPBQSA-N 386.467 3.809 0 40 GHAB CCCN1CCCC[C@@H]1c1nc(C)ncc1C(=O)NCc1ccc(OC)cc1 19766529 QJYLNIPXFVNFBZ-HXUWFJFHSA-N 382.508 3.661 0 40 GHAB CCc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc(OC(F)F)cc1 19911209 KEAHZMGPAOIAMX-UHFFFAOYSA-N 376.338 3.823 0 40 GHAB COc1ccccc1-c1nnc(NC(=O)c2cccc3cccc(C(=O)O)c23)o1 19927235 CMXPKMUEFSGHBR-UHFFFAOYSA-N 389.367 3.849 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1ccccc1Cl 5578932 GBZGYWJPJLWEEA-CMDGGOBGSA-N 375.808 3.796 0 40 GHAB NNc1nc2c(Br)cc(NC(=O)c3ccccc3F)cc2s1 226310136 RBRRZSOVXXNCNC-UHFFFAOYSA-N 381.230 3.736 0 40 GHAB CN(C)[C@@H](C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(F)cc1 19661325 ALEPSSUZBVBPLR-GOSISDBHSA-N 392.858 3.560 0 40 GHAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 20301772 DFVCUPIRTKZSMK-UHFFFAOYSA-N 390.642 3.602 0 40 GHAB CC(C)(C)c1ccc(C(=O)NCc2nnc(S)n2-c2ccc(F)cc2)cc1 4059224 POFIYTPCFOUQGJ-UHFFFAOYSA-N 384.480 3.923 0 40 GHAB CCOC(=O)CS[C@@H](CC)C(=O)Nc1nnc(-c2ccccc2Cl)s1 4174634 XCFAXAUZNPTCLX-LBPRGKRZSA-N 399.925 3.872 0 40 GHAB S=C(NCCc1ccccc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 4573535 FJDNIGBGUJFUDB-UHFFFAOYSA-N 383.605 3.690 0 40 GHAB COc1ccc(C)cc1NC(=O)CCc1csc(NC(=O)c2ccco2)n1 11835315 VVGDIHVLXOFQBR-UHFFFAOYSA-N 385.445 3.877 0 40 GHAB Cn1cc(-c2ccc(CNC(=O)Nc3ccccc3C(F)(F)F)cn2)cn1 575616721 ODNCBTPGDSRZEL-UHFFFAOYSA-N 375.354 3.823 0 40 GHAB Cc1cc(N2CCC(CNC(=O)c3ccc(Br)cc3)CC2)ccn1 245070541 QOGBXUATOWXGBI-UHFFFAOYSA-N 388.309 3.799 0 40 GHAB COc1ccc(Nc2nc(Nc3cccc(OC)c3)nc(N3CCCC3)n2)cc1 10213525 YXAYZJPBZOBUEV-UHFFFAOYSA-N 392.463 3.976 0 40 GHAB O=c1ccccn1Cc1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)cc1 40135023 GVDUIJZWDTZALX-UHFFFAOYSA-N 392.480 3.626 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1 20733761 DWYFTBYGCCHRKE-PZJWPPBQSA-N 394.471 3.802 0 40 GHAB COc1cc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc(OC)c1 32578597 RPNVRZCYLUUSAK-UHFFFAOYSA-N 397.431 3.895 0 40 GHAB CNC(=O)c1ccc(CNC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 32794939 KDPTVZVDMVBPPQ-LLVKDONJSA-N 380.275 3.913 0 40 GHAB CCOC(=O)c1c(C)oc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc12 32810284 JHXPVPRBJAEGBG-UHFFFAOYSA-N 392.411 3.813 0 40 GHAB CNC(=O)Cc1ccccc1NC(=O)/C=C/c1ccc(OCC(C)C)c(OC)c1 32832494 KUQBGEDIBYEKPR-ZRDIBKRKSA-N 396.487 3.670 0 40 GHAB CCc1cc2c(OC(C)=O)c(-c3ccc4c(c3)OCCO4)c(=O)oc2cc1OC 636552 CKCMOCRVFGWTKO-UHFFFAOYSA-N 396.395 3.728 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1 804979 BSEHZXUBMRZHRL-UHFFFAOYSA-N 395.503 3.642 0 40 GHAB O=C(Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl)c1ccncc1 1622759 MIIHIYMYKNAPCK-UHFFFAOYSA-N 375.815 3.860 0 40 GHAB O=C(OCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2o1 1783174 MTPBIHMQNBQGFW-UHFFFAOYSA-N 391.379 3.516 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)c1 2265781 HTPFIKXSEQGFIM-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB COc1ccc(Cn2cnc3c([nH]c4ccc(Br)cc43)c2=O)cc1 2299398 XSJVFJQKYXSXEN-UHFFFAOYSA-N 384.233 3.697 0 40 GHAB Cc1cccc(C)c1OCc1nc2c3cnn(Cc4ccccc4)c3ncn2n1 2438683 KWEAMPPTDHPGDX-UHFFFAOYSA-N 384.443 3.718 0 40 GHAB O=C(CSc1nnc(NCc2ccccc2)s1)c1ccc2c(c1)OCCO2 2660647 CMLAUIUYVTWGJE-UHFFFAOYSA-N 399.497 3.896 0 40 GHAB Cc1cccc(CSCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1 3337031 VQGINCXVWJNJEH-UHFFFAOYSA-N 385.457 3.863 0 40 GHAB C[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1ccc2c(c1)OCO2 3369452 DIKDVHICULJUGW-SNVBAGLBSA-N 396.226 3.584 0 40 GHAB O=C(Cc1cccs1)Nc1nnc(SCC(=O)c2ccccc2)s1 4087857 QOKQAOSXNDDDIS-UHFFFAOYSA-N 375.500 3.756 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccc2c(c1)OCO2 4305098 KZIPMYJNLDTQOY-SFHVURJKSA-N 376.412 3.542 0 40 GHAB Cc1cccc(CC(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)c1 4377352 VSADSFPKLSCLRR-UHFFFAOYSA-N 396.468 3.795 0 40 GHAB O=C(CCOc1ccccc1)N1CCN(c2nc3c(F)cccc3s2)CC1 4583508 KSRWCMNJXOFLKE-UHFFFAOYSA-N 385.464 3.553 0 40 GHAB CCOCCn1ccc2c(OCC(=O)c3ccc(Cl)cc3)cccc2c1=O 4584412 KKFPNDOBVVOVPJ-UHFFFAOYSA-N 385.847 3.953 0 40 GHAB CC(C)c1ccc(NC(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 4601840 IKAOUINKLOGNBQ-GOSISDBHSA-N 398.484 3.795 0 40 GHAB O=C1C[C@H](c2ccccc2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21 4747434 KVKPHZBNIMFYPV-LJQANCHMSA-N 384.483 3.716 0 40 GHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4893533 JKEDKPVLRTUPEO-BVIHXZOGSA-N 377.462 3.510 0 40 GHAB O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1cccs1 6602007 IJEVNZYAZURIJC-UHFFFAOYSA-N 380.425 3.659 0 40 GHAB COc1ccc(Cn2c(=O)c3ccccc3n3c(-c4cccs4)nnc23)cc1 6781228 NYZWBXUOABGJHQ-UHFFFAOYSA-N 388.452 3.830 0 40 GHAB Brc1cnn(CCc2nnc(C34CC5CC(CC(C5)C3)C4)o2)c1 6925602 KVASMFSTZBBNSY-UHFFFAOYSA-N 377.286 3.739 0 40 GHAB C[C@H](OC(=O)c1cccnc1SC(F)F)c1nc2ccccc2c(=O)[nH]1 7137653 WWMBHGQZRKCNMR-VIFPVBQESA-N 377.372 3.551 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 7238832 SYTAKJNUHIXCPN-UHFFFAOYSA-N 397.500 3.524 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@@H](C)C(=O)Nc1ccccc1 7315821 JBUIAXPVAHOTAC-MGPUTAFESA-N 378.428 3.521 0 40 GHAB O=C(CCc1nc2ccccc2s1)NCc1ccc(N2CCCC2=O)cc1 7490751 ZIQWXHVXCQSWSF-UHFFFAOYSA-N 379.485 3.672 0 40 GHAB O=C1Cc2cc(S(=O)(=O)Nc3ccc4oc5ccccc5c4c3)ccc2N1 7927733 ULPYGLGMVFELJT-UHFFFAOYSA-N 378.409 3.881 0 40 GHAB C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccc(C(F)(F)F)c1 7990663 ATFHIMWZGLELRO-GFCCVEGCSA-N 389.377 3.752 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)CCC2 8327456 RRGSMTOVWIHULM-FQEVSTJZSA-N 378.472 3.722 0 40 GHAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 9115946 CPONVLITZGNCSG-HXUWFJFHSA-N 395.459 3.780 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 9590743 YEHQQVJZNMLRSB-INIZCTEOSA-N 385.847 3.736 0 40 GHAB Cn1nnnc1-c1cccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)c1 11336278 JBYIJBMWGFCLQQ-UHFFFAOYSA-N 387.468 3.957 0 40 GHAB CC[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc(Cl)cc1 11739211 IYQGKTYUUDHFSK-QGZVFWFLSA-N 381.863 3.877 0 40 GHAB COCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)cc1 12088042 PUDPHEAMMLIGIG-IBGZPJMESA-N 375.472 3.983 0 40 GHAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)CCc2ccccc2)C1 12238963 DSYCDGFJBZVXGA-SFHVURJKSA-N 387.487 3.696 0 40 GHAB COc1ccc(OC)c(CN2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)c1 12337787 NZKGVIBCHGUNNK-LJQANCHMSA-N 396.491 3.796 0 40 GHAB O=C(C[C@H]1Sc2ccccc2NC1=O)OCC(=O)c1cccc(Cl)c1 12425810 ICXKFYPOOOLGDR-MRXNPFEDSA-N 375.833 3.569 0 40 GHAB CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(-c2ccc(C)cc2)n[nH]1 12535778 FSXAQGAZMAMKQJ-UHFFFAOYSA-N 376.460 3.658 0 40 GHAB CCc1cccc(C)c1NC(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1 12765016 BLPKCGASKFVGEZ-JLHYYAGUSA-N 384.501 3.749 0 40 GHAB COc1cc(Cl)c(NC(=O)CCc2ccc3c(c2)OCCO3)cc1OC 12809310 ZOHBCLPBOWUTMS-UHFFFAOYSA-N 377.824 3.700 0 40 GHAB C[C@@H]1CCC[C@H](NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)[C@@H]1C 12878162 VULDJIIOIXLXSP-QINHECLXSA-N 375.472 3.940 0 40 GHAB CCc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 12899726 CBLBZOGGZQWNMH-AWEZNQCLSA-N 398.937 3.756 0 40 GHAB O=C(Nc1cccc2ncccc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 12917332 AYHMYQCCCGFFJH-UHFFFAOYSA-N 395.484 3.662 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 13013167 AVOYZQRPRXDSEF-IBGZPJMESA-N 395.455 3.575 0 40 GHAB Fc1ccc(-c2nn3c(-c4cncc(Br)c4)nnc3s2)cc1 13734839 AUPCJNQXWOBZLS-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB O=C(Cc1ccc(NS(=O)(=O)C2CCCCC2)cc1)NCc1cccs1 13850401 AFIHZLLOWRIRRP-UHFFFAOYSA-N 392.546 3.681 0 40 GHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc(F)cc1 13856491 WGQKFHYRPYFGEI-QGZVFWFLSA-N 391.398 3.758 0 40 GHAB C[C@@H]1C[C@H]1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 14167571 IVWSGYBULNLIST-CZPKAXDISA-N 399.299 3.802 0 40 GHAB CN(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C1CCCCC1 14234067 JDCWJWCBZPCXPF-UHFFFAOYSA-N 377.488 3.704 0 40 GHAB COC(=O)c1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1 15010936 CKJZGIRCJKAGNH-LGMDPLHJSA-N 383.425 3.589 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN2CCc3cc(OC)c(OC)cc3C2)cc1 15293944 CZOSLUPTHFQSIM-INIZCTEOSA-N 382.504 3.502 0 40 GHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O 15453103 DFPMHGNDIUDXAW-CABCVRRESA-N 394.924 3.680 0 40 GHAB COc1ccc(CCNC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1OC 15670047 GKAOMXMYZVZZBO-UHFFFAOYSA-N 384.407 3.779 0 40 GHAB COc1cccc(-c2cc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)n[nH]2)c1 15680549 WHQYJYXPXJTGRL-UHFFFAOYSA-N 390.487 3.665 0 40 GHAB COC(=O)c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 16089477 MAOBOPMDHLQOLO-UHFFFAOYSA-N 394.754 3.913 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)COc2cccc(C)c2)cc1OCC 16753894 SKHSLHSOKPLIKL-UHFFFAOYSA-N 397.431 3.860 0 40 GHAB Cc1cccc(C(=O)N2CCCC[C@H]2CCn2nc3c(cc2=O)CCCCC3)c1 19234409 QGWOITJQLJNVMJ-NRFANRHFSA-N 393.531 3.906 0 40 GHAB CC(C)N(C(=O)CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1)C(C)C 19447579 QMRJIKGRMSCNRE-UHFFFAOYSA-N 393.915 3.530 0 40 GHAB COc1ccc2cnc(C3CCN(CC(=O)[C@]4(C)CCCO4)CC3)cc2c1C 19582716 RCTLHRHSXSROQP-QHCPKHFHSA-N 382.504 3.869 0 40 GHAB O=C(NCc1ccccc1N1CCCC1)C1(c2cccc(F)c2)CCOCC1 19662193 AVKOWKLDYWCYKV-UHFFFAOYSA-N 382.479 3.791 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(Cl)cc2)CC1 20102804 JVWSUXUJLSWIPC-UHFFFAOYSA-N 386.879 3.597 0 40 GHAB Cc1ccccc1-c1noc(-c2nnn(-c3cccc(C(F)(F)F)c3)c2N)n1 20530579 FBSSQLSSOYMNKC-UHFFFAOYSA-N 386.337 3.894 0 40 GHAB CCc1noc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4)C3)cc2)n1 21792482 VJBLJXNPPOULCQ-MRXNPFEDSA-N 390.443 3.599 0 40 GHAB Cc1ccc([C@H](CNC(=O)Nc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 22582332 ZBTFNMAUBVSRGO-FQEVSTJZSA-N 386.927 3.759 0 40 GHAB COc1ccc(CC(=O)NCCc2ccc(N3CCCCC3)cc2)cc1OC 23002116 LGYZFJYOYNZGEM-UHFFFAOYSA-N 382.504 3.596 0 40 GHAB CN(Cc1ccccc1)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 24355104 AVIQNEGIRAPERZ-UHFFFAOYSA-N 384.435 3.755 0 40 GHAB CCOC(=O)c1sc(NC(=O)N2CCC[C@@H](C)C2)c(C(=O)OCC)c1C 24562512 WRLBNWVHEOKEOA-LLVKDONJSA-N 382.482 3.674 0 40 GHAB CC(C)[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)N1CCc2ccccc2C1 25537497 POFKZEILYRWJFY-JOCHJYFZSA-N 390.531 3.695 0 40 GHAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)C1(c2cccc(F)c2)CCC1 26903307 XXQYLSLJNJRKBY-UHFFFAOYSA-N 380.463 3.798 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccco2)cc1 27663302 MKJLVZHNNCIHJA-SFHVURJKSA-N 389.411 3.584 0 40 GHAB CC(C)c1ccc(CN2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1 30514793 ADSZOPWJIBTIIU-UHFFFAOYSA-N 388.515 3.954 0 40 GHAB CCCc1nnc2sc(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)nn12 30822841 IFNHPPOWKMMKRS-UHFFFAOYSA-N 395.463 3.874 0 40 GHAB COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 32929731 KZDMWASIRIFZQJ-HNNXBMFYSA-N 389.517 3.935 0 40 GHAB COc1cc(C=O)ccc1OCc1nc(-c2ccc(Br)cc2)no1 33540650 NSAPKWQBZKXMJT-UHFFFAOYSA-N 389.205 3.899 0 40 GHAB COc1cccc(N2CCN(CC(=O)c3c[nH]c4ccc(OC)cc34)C[C@@H]2C)c1 35369254 FFOGHMHNHUPCKW-INIZCTEOSA-N 393.487 3.579 0 40 GHAB CC[C@H](C(=O)N[C@H](C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 37021582 UYZVHJQLIFLLHP-RDTXWAMCSA-N 394.924 3.762 0 40 GHAB CC(C)n1ccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3Cl)o2)n1 38499271 XWQQEPDMTOLTRO-UHFFFAOYSA-N 396.234 3.838 0 40 GHAB Cc1c(O)ccc2c(CN3CCN(c4cccc(Cl)c4)CC3)cc(=O)oc12 54106032 RSJYTOHLANCOTQ-UHFFFAOYSA-N 384.863 3.783 0 40 GHAB biogenic COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1cccc2c1OCCO2 55156563 TYEBDMKHLGQJPB-GFCCVEGCSA-N 376.840 3.867 0 40 GHAB Cc1ccc(Cn2nc(C)c(C(=O)N3CC[C@@H](N4CCCC4)C3)c2Cl)cc1 58343914 KWULUNMTPVLVBM-GOSISDBHSA-N 386.927 3.512 0 40 GHAB O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCC[C@@H]1c1ccc(Cl)cc1 65519606 SPZUWRYVQSFIKW-MRXNPFEDSA-N 385.876 3.843 0 40 GHAB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)NCc1n[nH]c(=S)n1C1CC1 67070572 JMFXRYFIODAOAF-LZCJLJQNSA-N 388.880 3.577 0 40 GHAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2c(C)cccc2C)c1C 67323602 HBQZHEAFIWHXTG-UHFFFAOYSA-N 391.475 3.657 0 40 GHAB Cc1cc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)no1 68504568 DEOBRIAVCFAEBA-UHFFFAOYSA-N 376.416 3.826 0 40 GHAB COc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Br)cc2)cc1Cl 72227905 SGOJKGBGNYBXQP-CABCVRRESA-N 381.657 3.526 0 40 GHAB CCO[C@H]1CCCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 72289633 OZRFGNWKWBOUPL-LEWJYISDSA-N 387.568 3.670 0 40 GHAB Cc1nc(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4F)n3)C2)co1 72363263 KMBCPFLCYDTEIY-CQSZACIVSA-N 382.395 3.724 0 40 GHAB O=C(NCc1cccc(F)c1)NC1(c2nc(-c3cccnc3)no2)CCCCC1 77197475 VSRPBZKMKMBCAT-UHFFFAOYSA-N 395.438 3.930 0 40 GHAB O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)NCC1CCCCC1 78680197 NMVDLMHDZZIABU-UHFFFAOYSA-N 376.928 3.931 0 40 GHAB CC(C)Nc1cccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)c1 79072540 ZITMMHBXJIUDGP-TZIWHRDSSA-N 399.922 3.996 0 40 GHAB COc1ccc(CCC(=O)N2CC(Oc3nc4c(C)cccc4s3)C2)cc1 90594287 IUVXTFYGPQNOIY-UHFFFAOYSA-N 382.485 3.836 0 40 GHAB CC1(C)[C@@H](OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)[C@@]2(C)CC[C@@H]1C2 95532906 VNMRXZNXEDNUMN-TUUKDFBESA-N 390.543 3.540 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 96098309 OELIDCJOFUITIL-GZKZCVOOSA-N 389.904 3.818 0 40 GHAB COC(=O)c1nn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12 96191887 YUNPLHWZDYAOCW-UHFFFAOYSA-N 378.215 3.768 0 40 GHAB O=C1C[C@H](N2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccccc1 96924933 SJKZCGQKDXNGND-SFHVURJKSA-N 391.496 3.808 0 40 GHAB Cc1oc(C)c(C(=O)Nc2c(C(N)=O)oc3ccccc23)c1Br 96998047 ZKSASRPFOVNFCL-UHFFFAOYSA-N 377.194 3.756 0 40 GHAB Cc1cc(C(=O)NCc2ccccc2-n2ccnc2)c(C)n1-c1nccs1 97676729 JLCSPSAKPXKOQW-UHFFFAOYSA-N 377.473 3.666 0 40 GHAB Cc1cc(N2CCCCC2)nc(N2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)n1 100456726 LWCCEVPIEREIJB-PMACEKPBSA-N 396.510 3.933 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)c2csc(C)c2)c2ccccn2)CC1 100750358 GHMDMMCOVWNJKO-FUHIMQAGSA-N 385.533 3.865 0 40 GHAB C[C@@H](NC(=O)c1coc(=O)c(Br)c1)[C@H]1[C@H]2C[C@H]3C[C@@H]2CC[C@@H]1C3 101187720 PGLXEDMYMQAPFM-RXGOKISISA-N 380.282 3.593 0 40 GHAB Cc1cc(C)c([C@H](C)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1C 223486840 RBIJASHMEKYUIB-KRWDZBQOSA-N 388.533 3.807 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(F)cc1 223841380 XGPCSRAFOZDMIP-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1 224093312 IBVWERMWKYEECG-LJQANCHMSA-N 388.895 3.662 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1 224125252 WVARZSUJLNUMIW-NRFANRHFSA-N 382.504 3.571 0 40 GHAB COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1COC(C)C 224429365 RUEAPIYEOWXTDW-UHFFFAOYSA-N 386.467 3.722 0 40 GHAB O=C(N[C@H]1C[C@H]2C(=O)Nc3ccccc3N2C1)c1ccc(-c2cccs2)cc1 225628532 GJMDSAGUFVEWDA-LPHOPBHVSA-N 389.480 3.745 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1-c1ccc(C(=O)O)o1 226353378 XEWACUDLUHNBSX-UHFFFAOYSA-N 387.413 3.763 0 40 GHAB Cc1nn(CCNC(=O)c2cc(-c3ccco3)on2)c(C)c1-c1ccccc1 238820584 COCXPYFUYHRLEX-UHFFFAOYSA-N 376.416 3.845 0 40 GHAB CCCC(=O)N1CCC(Cc2ccccc2-c2ccncc2)(C(=O)NCC)CC1 257256764 KMTSRMNWPINPOV-UHFFFAOYSA-N 393.531 3.836 0 40 GHAB Cc1ccc(-c2cnc3n2C[C@]2(CCN(C(=O)c4csc(C)n4)C2)C3)cc1 306127976 GMRXQOBRNCUVKI-OAQYLSRUSA-N 378.501 3.712 0 40 GHAB c1cncc(-c2ccc3nc([C@@H]4CCCN(Cc5nccs5)C4)nn3c2)c1 306137888 RJDLSSYUBMFVLF-QGZVFWFLSA-N 376.489 3.627 0 40 GHAB Cc1csc(Sc2ccc(NC(=O)[C@]34CCC(=O)N3CCS4)cc2)n1 520374457 TWYMOUFCACZYDF-QGZVFWFLSA-N 391.543 3.607 0 40 GHAB Cc1csc2nc(CN[C@@H]3C[C@H](OCc4ccccc4)C3(C)C)cc(=O)n12 567338229 SSPCQQSOGHUZSL-MSOLQXFVSA-N 383.517 3.538 0 40 GHAB C[C@H](Oc1ccc(NC(=O)c2cn(C)nc2C2CCCCC2)cc1F)C(=O)O 630257478 ADEQBKKPUOWSQC-LBPRGKRZSA-N 389.427 3.711 0 40 GHAB CC(=O)N1CCN(Cc2scnc2C)C[C@H](Cc2cnc3ccccc3c2)C1 1615156747 MOUKDBXDBOFWLD-IBGZPJMESA-N 394.544 3.523 0 40 GHAB COc1ccc(-c2nnn(CC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 932103 YNTCUCUILPXGJF-UHFFFAOYSA-N 385.427 3.654 0 40 GHAB Clc1ccc(-n2ncc3c2ncn2nc(-c4cccnc4)nc32)cc1Cl 2406144 YNOIBXDVHIKBMT-UHFFFAOYSA-N 382.214 3.832 0 40 GHAB CC(C)C(=O)Nc1ccccc1SC[C@H](O)Cn1ccc(C(F)(F)F)n1 2557554 YAQIDWGFTZLBDX-GFCCVEGCSA-N 387.427 3.650 0 40 GHAB CC(=O)c1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 3245874 QOHFOWKFFDMLNH-UHFFFAOYSA-N 378.428 3.875 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1 3459663 DPLKLXJWUSRYNU-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB O=c1cc(CSc2ncnc3ccccc23)nc2ccc(Br)cn12 3620818 ZATHEKRIUHLFFH-UHFFFAOYSA-N 399.273 3.693 0 40 GHAB CC(C)COC(=O)C1=CN=C2SCCC(=O)N2[C@H]1c1ccccc1Cl 3640237 SJXSRKPUDBDIFN-INIZCTEOSA-N 378.881 3.799 0 40 GHAB C=C1c2cc3c(cc2CCN1C(=O)/C=C/c1ccc2c(c1)OCO2)OCCCO3 4090599 KXEWUXAHUBCPGM-GQCTYLIASA-N 391.423 3.645 0 40 GHAB biogenic CCc1ccccc1N(C(=O)c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1 4165541 FYBZIWYHCVTVPE-KRWDZBQOSA-N 375.877 3.860 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 4568600 FRYDJXUEEQMJEL-OAHLLOKOSA-N 392.908 3.688 0 40 GHAB COc1ccc(NCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c(OC)c1 4620669 CKFHNFSHKYKPJW-RQZCQDPDSA-N 388.420 3.949 0 40 GHAB CCC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@H]1c1ccc(OC)cc1 4816623 XEQVCSZVGKRZLM-OALUTQOASA-N 380.423 3.903 0 40 GHAB COc1cccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)c1 4843593 NPMRCBBKJKYODU-AWEZNQCLSA-N 396.472 3.598 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)C(C)(C)C)s1 4904555 GTXVYWPUIFERKO-UHFFFAOYSA-N 378.523 3.870 0 40 GHAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CC[C@@H](C)C2 4949756 DWAHSIIAJHFZFE-CQSZACIVSA-N 398.528 3.906 0 40 GHAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2n1 5079854 ZVXRNAGRWJHYNL-UHFFFAOYSA-N 388.467 3.873 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c1 5108020 GGRRHYGUZGJRMU-UHFFFAOYSA-N 396.447 3.972 0 40 GHAB O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 5252824 ZFUCEDZWFQRCJX-UHFFFAOYSA-N 397.862 3.606 0 40 GHAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccnc2)N1c1ccccn1 5306138 LSXZOUOPXQYHTA-GOSISDBHSA-N 389.798 3.986 0 40 GHAB COc1cc(/C=N/Nc2ccccc2)cc(I)c1OC 5512408 RHFFPOWBFXYTDH-LICLKQGHSA-N 382.201 3.754 0 40 GHAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 5638317 BQEKKNXZYTWIRL-INIZCTEOSA-N 380.444 3.573 0 40 GHAB CCCCn1nc(C(=O)Nc2ccc(F)c(F)c2F)c2ccccc2c1=O 6429973 XPPRUOIFUNLJDZ-UHFFFAOYSA-N 375.350 3.866 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1 6560390 SEUJGIMEPULXIR-UHFFFAOYSA-N 396.896 3.596 0 40 GHAB CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccccc1 7037535 FTQOYFMOXMIIIC-GOSISDBHSA-N 394.924 3.862 0 40 GHAB CCCOc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 7655149 DWJSTUNFDDOILP-UHFFFAOYSA-N 390.486 3.741 0 40 GHAB O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1CCC(Cc2ccccc2)CC1 7866386 CNLLJWKMZNMUTB-UHFFFAOYSA-N 384.863 3.729 0 40 GHAB COc1ccc(C)cc1NC(=O)CSc1nnc2ccc3ccccc3n12 7997296 OONIAKQARHGGNS-UHFFFAOYSA-N 378.457 3.930 0 40 GHAB CCc1cc2c(=O)n(CC(=O)c3ccc(Br)cc3)cnc2s1 8015002 JPHFBOQWHAXOCQ-UHFFFAOYSA-N 377.263 3.666 0 40 GHAB CCOc1c(Br)cc(Br)cc1CNC[C@@H]1CCCO1 8253318 JFPLYDKYYMCKGC-LBPRGKRZSA-N 393.119 3.879 0 40 GHAB Cc1cc(C)n2nc(C(=O)N(CCc3cccs3)Cc3cccs3)nc2n1 8325207 SPVXCTUBMTVJGB-UHFFFAOYSA-N 397.529 3.749 0 40 GHAB Cc1ccc(Cn2nc(C)c(C(=O)NCc3ccc4c(c3)OCO4)c2Cl)cc1 8550191 HTBAFJKAHOVOQD-UHFFFAOYSA-N 397.862 3.860 0 40 GHAB COc1cc(Cl)c(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1OC 8734643 WIQGOQCBCVSUAB-UHFFFAOYSA-N 397.258 3.769 0 40 GHAB O=C(Nc1ccccc1Cc1ccccc1)[C@H](Cc1ccccc1)n1cnnn1 8936677 MNODSXWTLCMRBS-QFIPXVFZSA-N 383.455 3.686 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cc2ccccc2o1 9076716 SMTLUTRHORYTFJ-UHFFFAOYSA-N 396.424 3.757 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)c(C)c1 9355927 OWTPFWCEBQSWJF-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)on1 10410538 MNNJSYLHFVMSTQ-UHFFFAOYSA-N 384.461 3.539 0 40 GHAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)c3cc(CC(C)C)on3)C2)on1 12118447 XIDVWYKREHQFPP-OAHLLOKOSA-N 395.463 3.646 0 40 GHAB O=C(Cc1cccc(Cl)c1)N1CCC[C@H](c2noc(-c3ccccn3)n2)C1 12327539 AFVQPIGHSSMTRZ-HNNXBMFYSA-N 382.851 3.734 0 40 GHAB COc1ccccc1Nc1nc(N)nc(CSCc2nc3ccccc3[nH]2)n1 12371778 QXZAVAHXVQOLEJ-UHFFFAOYSA-N 393.476 3.516 0 40 GHAB CC[C@@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)Nc1cc(C)on1 12812798 LMVWLDAJMRLXIK-GOSISDBHSA-N 394.431 3.620 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)CCNC(=O)c1ccc(Br)cc1 13019744 LBRUXVXLLUGCFJ-CYBMUJFWSA-N 387.277 3.547 0 40 GHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccc(N2CCCC2=O)cc1 13019996 QVOYIAOGJBPIAH-OAHLLOKOSA-N 386.879 3.859 0 40 GHAB O=C(COc1c(Cl)cccc1Cl)N1CCN(c2ccccc2F)CC1 13039683 MAOGNXPEINPPBI-UHFFFAOYSA-N 383.250 3.860 0 40 GHAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1CCN(c2ccccc2O)CC1 13137521 NXKYWMFULCEQNC-KRWDZBQOSA-N 375.472 3.695 0 40 GHAB CC[C@H](C(=O)NCCC1=CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713492 MJRQWNUKTHKXGN-LJQANCHMSA-N 378.538 3.546 0 40 GHAB O=c1oc2ccc(Br)cc2cc1S(=O)(=O)c1cccc(F)c1 15828658 IIOQRBBBGFSMRA-UHFFFAOYSA-N 383.194 3.527 0 40 GHAB COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)no2)cc1 15859688 KRTQUYLPASGGLN-IBGZPJMESA-N 395.459 3.900 0 40 GHAB O=C(/C=C\c1ccc2c(c1)OCO2)OCc1cc(-c2ccc3c(c2)OCO3)on1 16838681 LYDMYYGGVSYANW-KXFIGUGUSA-N 393.351 3.556 0 40 GHAB COc1ccc(OC)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 17005787 KMUUFQNQNFMDBX-NSHDSACASA-N 397.349 3.907 0 40 GHAB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)CC(C)C)cc2s1 17077471 LEDAZDURONVRAY-UHFFFAOYSA-N 378.523 3.894 0 40 GHAB CCOC(=O)c1ccc(Nc2nn3c(=O)c4cc(C)ccc4nc3s2)cc1 17306602 PNFRKOMTOOOECF-UHFFFAOYSA-N 380.429 3.533 0 40 GHAB Cc1nc(C)n(C[C@H](C)C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)n1 19285965 QCXFKNOSLGIGIM-FZMZJTMJSA-N 375.542 3.777 0 40 GHAB CN1C(=O)C2(c3ccccc31)N(Cc1ccccc1)CCN2Cc1ccccc1 19329632 QIBUIEJFRFSYPV-UHFFFAOYSA-N 383.495 3.834 0 40 GHAB CC(=O)Oc1ccc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1 19453635 GMZOZLQXADVDLD-UHFFFAOYSA-N 394.519 3.684 0 40 GHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)CC)C1 19498432 DQUXAUUULSDISP-XMMPIXPASA-N 378.516 3.969 0 40 GHAB CCN(C(=O)c1ccccn1)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 19711980 HVSUMTARIWGTCW-RBBKRZOGSA-N 388.471 3.921 0 40 GHAB CCn1cnc2sc(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3)c(C)c2c1=O 19717357 ADTIHBIOFKCONB-MRXNPFEDSA-N 397.500 3.772 0 40 GHAB Cc1csc(-n2c(C)cc(C(=O)COC(=O)c3cc(Cl)c[nH]3)c2C)n1 21998987 FILZXSCZGJLSGC-UHFFFAOYSA-N 377.853 3.880 0 40 GHAB CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(O)cc3)N2C1=O 22204828 PUKFGUIUJXFUQA-TZIWHRDSSA-N 389.455 3.952 0 40 GHAB COc1ccc(OC)c(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 22251056 QMSCHTXNBHBRQX-UHFFFAOYSA-N 388.895 3.557 0 40 GHAB Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 22256919 RSMUTUPTLLXCIO-UHFFFAOYSA-N 385.489 3.989 0 40 GHAB CCc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21NCCO1 22362804 VLKMYKHTGWTPPD-RPWUZVMVSA-N 376.500 3.857 0 40 GHAB CN(C)C(=O)COc1ccccc1C(=O)Nc1ccc(Cl)c2ncccc12 22971246 VIPLTZJOQXZHAC-UHFFFAOYSA-N 383.835 3.608 0 40 GHAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(Br)cn3)c2)n1 27970785 MTMWEKFIWGDFNE-UHFFFAOYSA-N 385.265 3.958 0 40 GHAB Cc1cc(C)n(CCCNC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)cc2)n1 28237975 VTZKOOGDZQVNFR-UHFFFAOYSA-N 399.926 3.835 0 40 GHAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 28498381 OPOFQLAWKMWVRZ-UHFFFAOYSA-N 390.244 3.809 0 40 GHAB Cc1nc2cc(C(=O)Oc3ccc(-n4cnnn4)cc3)ccc2n1-c1ccccc1 30023006 WCFSEJHUKIXNDL-UHFFFAOYSA-N 396.410 3.529 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21 31904014 GPACDJONGGTGSW-UHFFFAOYSA-N 395.278 3.661 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C[C@@H](O)COc1ccccc1C(C)(C)C 32888201 KGKYSNUXHWRPCH-GOSISDBHSA-N 385.504 3.627 0 40 GHAB Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 32892726 STEGSDQOLUPQCM-UHFFFAOYSA-N 390.395 3.660 0 40 GHAB Cc1nc2ccc(NC(=O)[C@H]3CCCN(c4ccc(Cl)nn4)C3)cc2s1 32913045 RBYSOOCTIPDSHW-LBPRGKRZSA-N 387.896 3.903 0 40 GHAB Cc1nc2sc(C(=O)Nc3ncc(Cc4ccccc4)s3)c(C)c2c(=O)[nH]1 32988430 HEXJVVBZVGSOGX-UHFFFAOYSA-N 396.497 3.901 0 40 GHAB COc1cccc(CNC(=O)CSc2ncnc3c2[nH]c2ccc(F)cc23)c1 33172697 LTWJLHMSQAJDMZ-UHFFFAOYSA-N 396.447 3.667 0 40 GHAB O=C(C1CC1)N(Cc1cccnc1)Cc1cc2cc3c(cc2nc1Cl)OCO3 35312152 QMSCGAQKTJTDII-UHFFFAOYSA-N 395.846 3.951 0 40 GHAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 38834521 OFEAXHRVZLDPFV-MRXNPFEDSA-N 386.879 3.977 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 38857225 SAQPRXMKHCCTKK-UHFFFAOYSA-N 394.906 3.856 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)on2)cc1 40088309 QNXWLCAUTITIFS-UHFFFAOYSA-N 377.444 3.944 0 40 GHAB CC(C)Oc1cccc([C@H](C)NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 40112898 QDBOFQPGUHEQTL-HNNXBMFYSA-N 379.460 3.520 0 40 GHAB COC(=O)c1cccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 40133600 KVEMFGHMWYNCGF-IUCAKERBSA-N 398.303 3.508 0 40 GHAB O=C(O)CCCCCNC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21 40268872 RNCRKBRYLFQXQY-UHFFFAOYSA-N 394.471 3.982 0 40 GHAB Cc1nn(C)c2sc(C(=O)O[C@H](C)C(=O)Nc3cc(Cl)ccc3F)cc12 42610675 ARYLPFNKAVLALM-SECBINFHSA-N 395.843 3.920 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1 45714656 HXPTXMZAWDXTTI-CTNGQTDRSA-N 394.519 3.846 0 40 GHAB CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 48257177 JSFBSZKXVLGGLI-IBGZPJMESA-N 380.492 3.740 0 40 GHAB CSc1cccc(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)c1 48985708 WBFBKSZVCMPENK-UHFFFAOYSA-N 386.521 3.905 0 40 GHAB C[C@H]1CN(c2ccccc2NC(=O)c2cc3ccccc3oc2=O)C[C@@H](C)O1 55681907 VFIPPUJUAMYAIE-GASCZTMLSA-N 378.428 3.659 0 40 GHAB CCOc1ccccc1-c1csc(NC(=O)c2ccc3nnc(C)n3c2)n1 58225052 UOEGDYBJFONDRO-UHFFFAOYSA-N 379.445 3.812 0 40 GHAB Cc1ccnc(NC(=O)CN(C)C(=O)c2cccc(OCc3cccs3)c2)c1 58333218 RJBVFZBNFKEIQA-UHFFFAOYSA-N 395.484 3.741 0 40 GHAB CCCCOc1ccc(/C=C/C(=O)Nc2nc(CC(=O)O)cs2)cc1OC 62715655 JAPMSUYFXUFLAB-SOFGYWHQSA-N 390.461 3.610 0 40 GHAB CCc1cc(=O)[nH]c(-c2ccc(NC[C@@H](c3ccc(C)o3)N3CCCC3)nc2)n1 68697447 AQZWOQZAMCQAGS-SFHVURJKSA-N 393.491 3.545 0 40 GHAB Cc1ccc(C)n1-c1c(C(=O)O[C@H](C)c2ccc3c(c2)OCCO3)cnn1C 71825170 QDHKGFRAEICFQZ-OAHLLOKOSA-N 381.432 3.517 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1C 72310610 BXBFBOXCDAQKED-SORZYCEUSA-N 386.561 3.911 0 40 GHAB COC(=O)[C@]1(Cc2ccccc2F)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 72340198 IHTDYAZQAUYTQQ-RFWXGWTQSA-N 381.447 3.534 0 40 GHAB COc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 72362089 BJQNQCKXXYTJKB-KRWDZBQOSA-N 390.443 3.692 0 40 GHAB COc1cc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc(OC)c1O 72405965 GJHYKHCLIWYFAC-CYBMUJFWSA-N 385.445 3.839 0 40 GHAB O=C1CC2(CCN(c3ncnc4[nH]ccc34)CC2)CN1Cc1ccc(Cl)cc1 77505336 RZCWZLBQVZNPQP-UHFFFAOYSA-N 395.894 3.630 0 40 GHAB C[C@H]1CCC[C@@H](c2ccccc2)N1Cc1nnc2n(C)c(=O)c3sccc3n12 79059006 ZKODRGLTEMAKPS-HOCLYGCPSA-N 393.516 3.758 0 40 GHAB CN(C(=O)c1cccs1)c1ccccc1C(=O)N[C@@H]1COc2ccccc21 83869703 CTQGBNDURSSCOB-MRXNPFEDSA-N 378.453 3.888 0 40 GHAB CCN(CCO)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 95953839 BAWOTLFQIVBZBV-UHFFFAOYSA-N 389.304 3.613 0 40 GHAB O=C(c1ccc2cc[nH]c2c1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96120136 STOMWKMWWXHASF-QGZVFWFLSA-N 388.876 3.510 0 40 GHAB COCCn1c(C(=O)NCCN2CCCC2)cc2c1c1ccccc1n2C(C)C 96264186 BUSBWISJIVQJDZ-UHFFFAOYSA-N 396.535 3.649 0 40 GHAB CCn1cc(CN2C(=O)/C(=C\c3cccc(OCC(C)C)c3)N=C2S)cn1 101596192 TVLFBTRQUURWDV-GIJQJNRQSA-N 384.505 3.607 0 40 GHAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 106573470 JMDIKERZCWUWIL-RZUBCFFCSA-N 392.547 3.648 0 40 GHAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1Cl 119862058 NRIJRBOMDNCHJT-QGZVFWFLSA-N 387.892 3.780 0 40 GHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(F)cc3F)n2)c1 155759519 GOBUONQKSYSBCI-CYBMUJFWSA-N 398.413 3.908 0 40 GHAB COc1cc(OC)cc(OCC(=O)NCCCc2ccc(OC(C)C)cc2)c1 218896296 CSYIPSBEOLNILW-UHFFFAOYSA-N 387.476 3.619 0 40 GHAB O=C(COc1ccccc1F)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219195536 OVSIJYDQRWDIDN-LJQANCHMSA-N 389.448 3.640 0 40 GHAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(S(C)(=O)=O)cc1 219536146 MOMLOTYSYUNTOD-LPHOPBHVSA-N 389.517 3.742 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(C)cc2)CC1 219858031 PIGKNDIXVZYFKP-UHFFFAOYSA-N 379.504 3.990 0 40 GHAB Cc1ccc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 223124751 BWTUPMACJQTSLU-LJQANCHMSA-N 380.532 3.912 0 40 GHAB CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccs1 225129445 TVLPQTCTGNFTBK-UHFFFAOYSA-N 394.301 3.813 0 40 GHAB COc1ccc(OC)c(NC(=S)NC2CCN(Cc3cccs3)CC2)c1 225230037 QTLHTASBHWBFTM-UHFFFAOYSA-N 391.562 3.716 0 40 GHAB CCOc1ccc(-c2noc(CN(C)C(=O)c3ccc(OC)c(F)c3)n2)cc1 225397717 BZJBVHIELFDUAP-UHFFFAOYSA-N 385.395 3.555 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 225449281 XQJNWUDMQUDTKX-RBUKOAKNSA-N 396.531 3.612 0 40 GHAB Cc1ccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)C)cc1 225528023 YMZDYURDSKMPTE-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB CCO[C@]1(C(=O)Nc2ccc(OCC(=O)N3CCCC3)cc2)CCC[C@@H](C)C1 225713893 RZOFRZNWRZJGEK-VGOFRKELSA-N 388.508 3.612 0 40 GHAB CCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCC[C@@H](C)C2)n1 225885943 GPXPONSXRVRQFS-MRXNPFEDSA-N 390.601 3.790 0 40 GHAB CC(C)n1cnc2cc(C(=O)N(CCc3ccc(F)cc3)CC(=O)O)ccc21 257200715 AEPOIFKKAGPQKH-UHFFFAOYSA-N 383.423 3.526 0 40 GHAB CCCC(=O)N1CCC(Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)CC1 257253206 JXXXIOJLEQDKON-UHFFFAOYSA-N 393.531 3.788 0 40 GHAB CCCC(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)CC1 257306153 STDOOLHMDWLSSB-UHFFFAOYSA-N 393.531 3.788 0 40 GHAB COCCC(=O)N[C@@H]1C[C@H](c2ccc3c(c2)CC(C)(C)O3)O[C@@H]2CCCC[C@@H]12 257310855 UGXUMZSBJLYQHT-UYWIDEMCSA-N 387.520 3.942 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 260796123 VPVIZOYKMUOLQE-ZWKOTPCHSA-N 382.570 3.791 0 40 GHAB Cc1cccc(CN2CCN(C)[C@@H](c3cn4c(-c5ccncc5)cccc4n3)C2)n1 306136820 QEHADHKXKCFKOD-HSZRJFAPSA-N 398.514 3.588 0 40 GHAB CC(C)n1cc(C2=CCCN(C(=O)N[C@@H]3CCc4c(F)cccc43)CC2)nn1 577264870 SROHRAGJKAREMW-LJQANCHMSA-N 383.471 3.874 0 40 GHAB CC1(C)CCC(N2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 585284123 VBWVZJDOTCOBHU-FQEVSTJZSA-N 385.907 3.890 0 40 GHAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCN(c2ccc(C3CC3)nn2)C1 606440630 JOFDYPQHMPKCOG-AWEZNQCLSA-N 383.521 3.544 0 40 GHAB CCO[C@@H](C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)C1CC1 623677859 DOXBVVAGIAULGI-XZOQPEGZSA-N 395.499 3.993 0 40 GHAB Cc1noc(COC2CN(C(=O)Nc3c(C)cc(Cl)c4ccccc34)C2)n1 644401441 SUQGVNCCLUHCMD-UHFFFAOYSA-N 386.839 3.926 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc(C2CCNCC2)no1 662368430 APOWLFQJGUFVQO-FQEVSTJZSA-N 375.472 3.855 0 40 GHAB O=C(O)c1cc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)ccc1Cl 676003872 XECVYFUYFVHJGZ-UHFFFAOYSA-N 392.883 3.842 0 40 GHAB CCC(CC)C(=O)N1CC[C@H]2CC(=O)Nc3cc(F)ccc3OCC[C@H]2C1 1534646903 VNRARSZFKBZMJZ-HOTGVXAUSA-N 376.472 3.838 0 40 GHAB CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)c1cccc(-n2ccnc2O)c1 1642271190 CIXNNADIHMCQIK-SFHVURJKSA-N 388.471 3.821 0 40 GHAB Cc1c(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)[nH]c2ccc(F)cc12 2037795998 XEPOLURQWMPRKD-UGKGYDQZSA-N 382.435 3.660 0 40 GHAB O=C([C@@H]1CCCO1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 644981 WDHDVNAYHSVIOF-WBVHZDCISA-N 389.249 3.899 0 40 GHAB COc1ccc2cc(C)c3nnc(SCC(=O)N4CCC[C@H](C)C4)n3c2c1 928442 ARKAFRTZZSVQFH-ZDUSSCGKSA-N 384.505 3.550 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(CC(C)C)C[C@@H](O)COc1ccccc1 1668545 MNXKPHJMSHXNDP-HXUWFJFHSA-N 384.520 3.640 0 40 GHAB CCOc1ccc(-n2ccnc2SCC(=O)N2CCc3ccccc32)cc1 2468211 QEDITGNFDBVVLU-UHFFFAOYSA-N 379.485 3.952 0 40 GHAB Cc1ccc(C)c(OCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1 3264625 GBHLETDQIIKXEU-UHFFFAOYSA-N 383.231 3.566 0 40 GHAB CCC(CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 3505927 CFPVLKJYPCOANP-UHFFFAOYSA-N 386.945 3.823 0 40 GHAB Cc1cc(C)c(OCC(=O)N2N=C(CC(C)C)C[C@]2(O)C(F)(F)F)c(C)c1 4163550 CJPYYIANMRFNLG-SFHVURJKSA-N 386.414 3.876 0 40 GHAB O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1Cl)c1cccs1 4755369 TXBZTQFGDQJAOS-QFBVAWSSSA-N 398.871 3.965 0 40 GHAB COCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 4815084 UGUFXNRPRGCOCC-QZTJIDSGSA-N 382.851 3.645 0 40 GHAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccccc1 5246235 GRVVWQYJBKGBSM-FQEVSTJZSA-N 380.488 3.707 0 40 GHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1csc(-c2ccccc2)n1 5932448 FYTKUPFLSDDSFG-UHFFFAOYSA-N 391.452 3.723 0 40 GHAB COc1ccc2c(CC(=O)OCC(=O)N3c4ccccc4C[C@H]3C)coc2c1 6156886 DRFJPNBCFNJRRS-CQSZACIVSA-N 379.412 3.505 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCSc2ccccc2)cc1 6949948 ASSXPUXFVBZAHS-UHFFFAOYSA-N 392.546 3.838 0 40 GHAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(-n4cncn4)cc3)o2)cc1 6990251 XWIGUBLNCVSCEA-CQSZACIVSA-N 375.388 3.544 0 40 GHAB COc1cc(OC)c(C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1OC 7646936 LJDRETRYALCGFG-GFCCVEGCSA-N 383.400 3.622 0 40 GHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)CCCn1c(=O)oc2ccccc21 7780525 IDXSTIWNGOWHIG-UHFFFAOYSA-N 386.423 3.571 0 40 GHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)/C=C/c1ccc2ccccc2n1 7780896 WFFSRNFQTZGJDX-DHZHZOJOSA-N 399.372 3.762 0 40 GHAB Cc1c(Cl)c(COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)nc2ccccc12 7783489 DQSFPITYVQAFQK-HNAYVOBHSA-N 390.892 3.694 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 7798031 DHQCOQSUFVSLOU-CQSZACIVSA-N 391.500 3.745 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 7882057 WDXITKGRSOVNTI-VQIMIIECSA-N 394.471 3.802 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)Cc1csc(N2CCCC2=O)n1 7920478 ZEFDJKGEPWTWNZ-UHFFFAOYSA-N 387.505 3.757 0 40 GHAB CCCCc1nc2ccccc2n1CC(=O)N(C)CC(=O)Nc1ccc(C)cc1 7983570 IDEYPEWVHKFLGK-UHFFFAOYSA-N 392.503 3.784 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)cc1 8093711 MGMOMCWIJHHHNO-OAHLLOKOSA-N 399.516 3.689 0 40 GHAB Cc1nc(COc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cs1 8131420 DDCKPPPVVPPKDP-UHFFFAOYSA-N 382.441 3.689 0 40 GHAB c1ccc(-n2nnnc2CN2CCC(c3nc4ccccc4s3)CC2)cc1 8315067 YRGKYCOQOUMIBK-UHFFFAOYSA-N 376.489 3.652 0 40 GHAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc1 8843852 VNNUVYIZWQMKJK-LJQANCHMSA-N 381.501 3.744 0 40 GHAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc21 8959712 TZYCAEUWHWNLSS-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB CCN1C(=O)CCc2cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc21 8962406 AKTVLXLJWZCVCD-UHFFFAOYSA-N 378.881 3.581 0 40 GHAB CN(c1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1)S(C)(=O)=O 9048224 SBHSCRCQBJRFEX-UHFFFAOYSA-N 393.515 3.520 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 9551684 OWPOAAPAPGKJNO-AWEZNQCLSA-N 393.443 3.927 0 40 GHAB O=C(CCCNC(=O)c1ccco1)N[C@@H](c1ccc(F)cc1)c1cccs1 10291324 JIIUAAXMHAFXMS-IBGZPJMESA-N 386.448 3.896 0 40 GHAB CC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc2c(c1)CCC2 10516919 BUAIRHMPQVZMIG-UHFFFAOYSA-N 397.500 3.825 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1cccs1 10777210 RBQUDAJJHOZAJC-KRWDZBQOSA-N 382.489 3.757 0 40 GHAB Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NC3CCCCCCC3)n2)s1 12181644 ROGXPCYCUCAMAO-CQSZACIVSA-N 388.537 3.653 0 40 GHAB Fc1c(F)c(F)c(CNc2cccc(-c3nnnn3C3CC3)c2)c(F)c1F 12538221 SZUSFJNAZOBDJA-UHFFFAOYSA-N 381.308 3.983 0 40 GHAB Cc1nc(SCC(=O)N(C)[C@H](C)c2ccccc2)n(C[C@@H]2CCCO2)c1C 12556697 BYEKJLVUXPQYPL-MJGOQNOKSA-N 387.549 3.991 0 40 GHAB O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc(S(=O)(=O)N2CCCC2)c1 12905327 HRWNNYVULZCWDZ-ZHALLVOQSA-N 390.549 3.560 0 40 GHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccc(F)c(F)c1 13006925 CYSBUGCUTZHITG-GXTWGEPZSA-N 378.444 3.756 0 40 GHAB CC(=O)Nc1ccc2c(COC(=O)c3ccc(Cl)cc3F)cc(=O)oc2c1 14672448 BZOBKYSHZMGBIT-UHFFFAOYSA-N 389.766 3.901 0 40 GHAB CCOC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 15610995 POMVUOHIEDTVNP-UHFFFAOYSA-N 398.387 3.504 0 40 GHAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C 15922119 DTERDLBWLSATAT-LJQANCHMSA-N 384.524 3.755 0 40 GHAB Cn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccccn1 16755651 VVZROSHLVBYOKN-UHFFFAOYSA-N 389.278 3.615 0 40 GHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 17247959 PCTXCCDWENQBOV-UHFFFAOYSA-N 378.881 3.830 0 40 GHAB COc1c(C)cccc1CN1CCC([C@H](NC(=O)C2CC2)c2ccccn2)CC1 19235925 KOGBJVLSLOBOPB-QFIPXVFZSA-N 393.531 3.878 0 40 GHAB CCOc1ccc(CC(=O)N2CCC[C@H]3NC[C@H](c4ccc(F)cc4)[C@H]32)cc1 19533008 DXBPNTJAKIAVCK-MQSCRBSSSA-N 382.479 3.514 0 40 GHAB Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 19572316 MLZROJHZXMZMGX-UHFFFAOYSA-N 387.892 3.955 0 40 GHAB C[C@@H]1CCc2nc(NC(=O)CC3CCN(Cc4ccccn4)CC3)sc2C1 19748772 QBZZVXXKBPPSFD-OAHLLOKOSA-N 384.549 3.904 0 40 GHAB O[C@@H](CSc1cccc(Cl)c1)CN1CCN(c2ccc(F)cc2)CC1 20384993 UVVMYVPNDSABCH-GOSISDBHSA-N 380.916 3.754 0 40 GHAB O[C@H](CSc1ccc(F)cc1)CN1CCN(c2cccc(Cl)c2)CC1 20385213 SITKZQWYESEWOA-SFHVURJKSA-N 380.916 3.754 0 40 GHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCC2)C12CCCCC2 20730746 INWUIHWCMVMSFI-HXUWFJFHSA-N 384.520 3.634 0 40 GHAB CC(=O)c1ccc(N2CCN([C@@H](C(=O)O)c3c[nH]c4ccc(C)cc34)CC2)cc1 20731475 LABFLDSLCDGMHD-JOCHJYFZSA-N 391.471 3.627 0 40 GHAB CNC(=O)C1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 22062499 AAFMEOASNPRWGR-UHFFFAOYSA-N 386.908 3.974 0 40 GHAB CCn1cc(C(=O)NCCc2ccc(OC)cc2)c(=O)c2cc(Cl)ccc21 22234854 VTHLRCPEIRCYDB-UHFFFAOYSA-N 384.863 3.656 0 40 GHAB CC(C)c1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 23127687 FCXCPLUGWYCAHF-UHFFFAOYSA-N 376.522 3.594 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1 23143376 RJFSNOYOSZJZNK-INIZCTEOSA-N 388.471 3.931 0 40 GHAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3cc4ccccc4c(=O)[nH]3)o2)cc1 24174214 VKTGAKFPQCBDOY-LBPRGKRZSA-N 391.383 3.505 0 40 GHAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2ccccc2F)o1 24279153 MXZDPZGHGZMSJI-HXUWFJFHSA-N 394.446 3.889 0 40 GHAB O=S(=O)(NCCCOC1CCCCC1)c1cccc(OC(F)(F)F)c1 24375601 DMOIVCURWGKDBW-UHFFFAOYSA-N 381.416 3.603 0 40 GHAB CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccncc2)cc1 24434760 AEHIQYUHIJXSHY-SFHVURJKSA-N 387.505 3.592 0 40 GHAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1cc(C)cc(C)c1 24774690 HESNKCWPUANJBT-HSZRJFAPSA-N 391.471 3.631 0 40 GHAB CCOc1ccc(C(=O)N2CCN(Cc3cccc4cccnc34)CC2)cc1 24928856 CPFXIZQISRXKEB-UHFFFAOYSA-N 375.472 3.592 0 40 GHAB COc1ccc2c(c1)N(CN(C)Cc1ccc(Cl)c(Cl)c1)C(=O)C2=O 25470024 ABZXXRNUPLIGNW-UHFFFAOYSA-N 379.243 3.621 0 40 GHAB O=C(CCc1ccccc1O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 25965592 OFSFZYQRBQKRSB-UHFFFAOYSA-N 378.394 3.692 0 40 GHAB CC(=O)Nc1ccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)cc1 27025963 RRJKUMIMNWYKBJ-FQEVSTJZSA-N 393.468 3.757 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)N(C)Cc3c(F)cccc3Cl)cnc12 27089928 FIKCVKWYFIGRNK-UHFFFAOYSA-N 387.842 3.546 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2ccc(OCC(C)C)cc2)N2CCOCC2)cc1 27583909 XUDVSFOGLLMFDU-HSZRJFAPSA-N 396.531 3.833 0 40 GHAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(Br)ccc1O 31264662 JEHHRGMVGDDQNX-OAHLLOKOSA-N 392.249 3.965 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3nnc(-c4cccs4)o3)c12 32869360 DGUZHGOQBQCCQT-UHFFFAOYSA-N 382.401 3.877 0 40 GHAB COc1cc(Cl)c(NC(=O)c2nn(-c3ccccc3)cc2OC)cc1OC 32883044 LKTNXQOBHRKPOI-UHFFFAOYSA-N 387.823 3.804 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)CCc1nc(C(C)C)no1 32936204 WIJAHVHOZMONNS-LBPRGKRZSA-N 379.844 3.658 0 40 GHAB O=c1cc(C(F)F)c2cn(C3CCCC3)nc2n1S(=O)(=O)c1cccs1 36621574 ONGTWABBEVTTBV-UHFFFAOYSA-N 399.444 3.549 0 40 GHAB Cc1nc2n(c(=O)c1C)CN(CCc1ccccc1)CN2c1ccc(F)cc1 38829919 AMRDXGUDESSCPG-UHFFFAOYSA-N 378.451 3.611 0 40 GHAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(-n4cnnn4)c(C)c3)ccc2c1 40060436 IUPQMWXPAIZFFM-OAHLLOKOSA-N 387.443 3.875 0 40 GHAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)c1 45637911 OAEQXCWMBFVFJH-ZDUSSCGKSA-N 381.881 3.766 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)c1cn(-c2ccccc2C(F)(F)F)nn1 45933146 YMVYOMYXNAFRQS-AWEZNQCLSA-N 388.349 3.540 0 40 GHAB C[C@H](C(=O)Nc1ccccc1Cl)N1CCC(NC(=O)OC(C)(C)C)CC1 47539717 YFSMSYYEKRHFGL-CYBMUJFWSA-N 381.904 3.656 0 40 GHAB Cc1cc(N)nc(SCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)n1 53562873 MKVHKBLITRPXBQ-UHFFFAOYSA-N 391.500 3.792 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(F)c(Cl)c3)n2)cc1C 57427549 XBLNLQHEYCJSSC-UHFFFAOYSA-N 399.853 3.636 0 40 GHAB COc1cc(N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)ccc1N1CCCC1=O 57963095 NTPTYIBSXDWGFT-CVEARBPZSA-N 393.487 3.600 0 40 GHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccccc3Br)c2)n1 58319161 MHHDWEWARAFNKF-UHFFFAOYSA-N 384.233 3.760 0 40 GHAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccccc2Cl)cc1 67198513 RDZAAVPNVPVWMH-UHFFFAOYSA-N 383.835 3.519 0 40 GHAB COc1cccc(-n2nnc(C(=O)NC3CCCCCC3)c2-c2ccncc2)c1 67261742 HPUNATRQUOZDIT-UHFFFAOYSA-N 391.475 3.791 0 40 GHAB O=C(c1cccnc1)N1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 72378143 BUUPGTBIIOVSKF-MRXNPFEDSA-N 396.878 3.709 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cn(C(C)C)c(=O)c2ccccc12 79482778 VOLXRXRJMMJLRP-UHFFFAOYSA-N 393.443 3.802 0 40 GHAB COc1ccc(CN2CCC[C@@H](c3nc(C)no3)C2)c(Br)c1OC 84286619 PBZIMYMHIPQQLF-CYBMUJFWSA-N 396.285 3.537 0 40 GHAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCc1nnc2ccccn12 95475183 DJPDXXUGCABHAX-KRWDZBQOSA-N 393.878 3.675 0 40 GHAB COc1cc(OC)c(OC)cc1C[C@H]1C(=O)Nc2ccc(Br)cc21 95481399 FQQIIARYIIKEMG-CYBMUJFWSA-N 392.249 3.753 0 40 GHAB O=C(c1cc2ccccc2nc1N1CCCC1)N1CCC[C@@H](N2CCCC2)C1 95957406 QDIOVDULUKWPGK-LJQANCHMSA-N 378.520 3.535 0 40 GHAB COc1c(C)cnc(CN2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)c1C 95993122 SIHHBDQHZYHMCR-GOSISDBHSA-N 377.492 3.872 0 40 GHAB CSc1ccccc1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96373897 KTERNVYMBUIWBG-UHFFFAOYSA-N 393.505 3.626 0 40 GHAB COc1cccc(CN2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)c1F 100146376 JKUQBPXWXXYODE-OALUTQOASA-N 395.478 3.742 0 40 GHAB CCN(CC)CC(C)(C)CN[C@@H](C)c1cc(O)n2nc(C(C)(C)C)cc2n1 100217941 FBVVUPWHNBHARJ-HNNXBMFYSA-N 375.561 3.751 0 40 GHAB CCOc1cccc(N2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)n1 106874207 DVWLCIBKPDYQDF-UHFFFAOYSA-N 399.882 3.506 0 40 GHAB Cc1ccc(CN2CC[C@]3(CC(C(=O)NC[C@H](C)c4ccccc4)=NO3)C2)cc1 107231600 XHPZHGNKPXTLLQ-CYFREDJKSA-N 391.515 3.636 0 40 GHAB CC(C)c1ccc(NC(=O)c2cnc(NS(=O)(=O)c3ccccc3)nc2)cc1 107777242 DJSRAEHVWMKGFV-UHFFFAOYSA-N 396.472 3.653 0 40 GHAB Cc1cc(C)cc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 113965073 BTTCGLYETBDJLF-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB COC(=O)c1cccc(NC(=O)CSc2ccc(OC)c(OC)c2)c1C 216332765 CSHMAKZFACFBLG-UHFFFAOYSA-N 375.446 3.530 0 40 GHAB NC(=O)c1ccc(OCc2ccccc2Cl)c(I)c1 216820149 IWFGSPGBNFRFHO-UHFFFAOYSA-N 387.604 3.623 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 222583503 FEUIHAQURCRIDE-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(N(C)C)cc1 222795605 VTHXTYQVVYMRLX-RTWAWAEBSA-N 391.544 3.931 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 222996927 WZSSXNRCQXCNRQ-OAQYLSRUSA-N 382.504 3.544 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 224178107 NQZMMIFMJRQWQI-NRFANRHFSA-N 382.504 3.626 0 40 GHAB Cc1ccc(OCCNC(=O)c2ccc(C)cc2I)cc1 225025864 OOYUOJFKERCTPL-UHFFFAOYSA-N 395.240 3.717 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3OCC)ccc21 225722081 UQOOGTJRCXSRSB-UHFFFAOYSA-N 392.502 3.673 0 40 GHAB COc1cc(NC(=O)c2ccc(Br)cc2)cc2sc(N)nc12 226310009 ZKBWYSLJRWLEGR-UHFFFAOYSA-N 378.251 3.902 0 40 GHAB CCn1c(C)nc2cc(C(=O)NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 257220247 DKEHFSJSFOZCEJ-UHFFFAOYSA-N 399.516 3.781 0 40 GHAB Cc1ccccc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 257288813 PVUZBLZCTXZZIF-WKILWMFISA-N 377.448 3.539 0 40 GHAB Cc1ncc(CN2CCO[C@H](c3ccc(Nc4ccc(F)cn4)cn3)C2)s1 257329618 XKTFZZZXOKOMBH-SFHVURJKSA-N 385.468 3.698 0 40 GHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(C)s2)N2NC=NC2=N1 408628317 WRAYZEZDZNMBDW-MRXNPFEDSA-N 385.880 3.882 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 408655927 SGLFNOQQKRVCGM-MJGOQNOKSA-N 379.456 3.779 0 40 GHAB CC(C)CNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 408906312 GFRPPWWHSOUQLI-UHFFFAOYSA-N 394.924 3.692 0 40 GHAB CCc1c(C(=O)Nc2ccc(OC(F)F)nc2)cnn1-c1ccc(OC)cc1 549319647 VDISLNBVSMANRA-UHFFFAOYSA-N 388.374 3.692 0 40 GHAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CN(C(=O)c3ccccc3)CCO2)n1 585262703 UWZSTWWJAWTVLJ-KRWDZBQOSA-N 395.488 3.507 0 40 GHAB CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@@H](Cc3ccccc3)C2)ccc1C 605584770 JXSSUDMQYIJVNQ-IBGZPJMESA-N 386.517 3.597 0 40 GHAB Cc1nc(N)c2c(C)c(C(=O)N3CC[C@](C)(c4cccc(F)c4)C3)sc2n1 652619469 LMLAAFLDXVBRQP-FQEVSTJZSA-N 384.480 3.833 0 40 GHAB O=C(Nc1nc2c(s1)COCC2)NC1(c2cccc(OC(F)(F)F)c2)CC1 653992396 FFHRHHGOFXRREO-UHFFFAOYSA-N 399.394 3.925 0 40 GHAB Brc1ccc(N2CCN(Cc3ccc4cnccc4c3)CC2)nc1 683825239 BGYDLRMPSODLDD-UHFFFAOYSA-N 383.293 3.715 0 40 GHAB O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cccc2nc[nH]c12 1597182490 GNSWLJIWYLIWTL-UHFFFAOYSA-N 378.819 3.679 0 40 GHAB CCOc1ccccc1CN1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615119634 ILWOWMSGCNXQQV-DEOSSOPVSA-N 394.515 3.873 0 40 GHAB COc1ccc(CN2CCCCN(C(C)=O)Cc3ccccc3OCC2)cc1 2037985827 XPXZWAMMQIKFSC-UHFFFAOYSA-N 382.504 3.719 0 40 GHAB O=C(CSc1ncnc2c1cnn2CCc1ccccc1)Nc1ccccc1 646854 GLGCMOSAJQQBNK-UHFFFAOYSA-N 389.484 3.800 0 40 GHAB CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccccc1F 687297 BGIPQSLEZNLPDU-UHFFFAOYSA-N 384.480 3.953 0 40 GHAB CCN1C(=O)c2cccc3c(S(=O)(=O)N[C@@H](C)c4ccccc4)ccc1c23 956882 GAZHQNYCZYIGLG-AWEZNQCLSA-N 380.469 3.859 0 40 GHAB COC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc(C)cc3)C2=O)cc1 1013708 QOGFZMYGCHXMFV-GZTJUZNOSA-N 382.441 3.888 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1 2645714 DZDMTMPBOHUVTK-UHFFFAOYSA-N 376.412 3.643 0 40 GHAB CCc1c(C)sc2ncn3nc(Cn4nc(C(F)(F)F)cc4C)nc3c12 2790155 ADUARQGPZVNJRD-UHFFFAOYSA-N 380.399 3.782 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(NCc2ccccc2)s1 3361347 FXMULBLGDYLHPF-UKRRQHHQSA-N 376.551 3.937 0 40 GHAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CCN(C)C2 4086902 ZXRFPEFZGCZQFS-UHFFFAOYSA-N 384.910 3.880 0 40 GHAB O=C1C[C@@H](c2ccccc2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21 4747436 KVKPHZBNIMFYPV-IBGZPJMESA-N 384.483 3.716 0 40 GHAB CCOC(=O)c1cccc(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)c1 4873087 DVMKCPDTYSPMIA-LADRWXRNSA-N 388.508 3.769 0 40 GHAB CC(C)Cn1c(SCC(=O)Nc2ccccc2F)nc2ccccc2c1=O 5016666 WVLAKLDRNORMSW-UHFFFAOYSA-N 385.464 3.922 0 40 GHAB Cc1cccc(NC(=O)COc2ccc(I)cc2)c1C 5050501 YUULVCXAVNVQMZ-UHFFFAOYSA-N 381.213 3.926 0 40 GHAB COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c1OC 5136332 GXDKZDXSOUCAFY-UHFFFAOYSA-N 382.460 3.891 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2CCCCS2(=O)=O)cc1 5438597 WSYDPRYKVDOISK-UHFFFAOYSA-N 398.406 3.888 0 40 GHAB C[C@](O)(c1ccncc1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 5551733 SPWJGMUNZCZADU-NRFANRHFSA-N 378.453 3.529 0 40 GHAB CCOC(=O)N[C@@H](C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)C(C)C 5575154 ZKDIIKCAIHGLNX-GOSISDBHSA-N 395.544 3.961 0 40 GHAB CN(Cc1ccco1)C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 5887432 GRFQTDRKRAYWQA-UHFFFAOYSA-N 394.456 3.871 0 40 GHAB CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccco2)sc(C)c1CC 6012224 HZPXDQQNDDDDLB-CMDGGOBGSA-N 391.445 3.584 0 40 GHAB CC(C)C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1C(=O)c2ccccc2C1=O 6559176 IHJOYIFCTSNKNF-XOQVKLMPSA-N 394.515 3.782 0 40 GHAB Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)N(C)c2ccccc2)cc1 7338002 IXPHSBKZLSIDHY-UHFFFAOYSA-N 377.444 3.531 0 40 GHAB COc1ccc(C)cc1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 7823011 QBTSBBNMOBNMLV-UHFFFAOYSA-N 386.451 3.999 0 40 GHAB COc1ccccc1CNC(=O)c1nccnc1-c1nc2ccccc2s1 7921137 CPFUOQGMTNNPPC-UHFFFAOYSA-N 376.441 3.692 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2Cl)c1 8034471 GLCHARHVUSGCOG-UHFFFAOYSA-N 394.924 3.609 0 40 GHAB CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc3c(c2)OCCO3)cc1 8071432 DZXSWKPDPZGCJZ-UHFFFAOYSA-N 382.460 3.514 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 8087791 DNHUEGICQBSDLP-CYBMUJFWSA-N 380.897 3.516 0 40 GHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc2c(s1)CCC2 8184587 ZTZZILNRNOLZHF-UHFFFAOYSA-N 378.453 3.880 0 40 GHAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1 8272169 XRSYZPBKOBVUTG-UHFFFAOYSA-N 386.498 3.787 0 40 GHAB CN(C)S(=O)(=O)c1ccc(OCCSCc2ccc(Cl)cc2)cc1 8539318 QILUYOVUVNWEBW-UHFFFAOYSA-N 385.938 3.903 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1F)c1ccccc1Cl 8810333 PJUXQXAMEZODOE-UHFFFAOYSA-N 396.871 3.952 0 40 GHAB O=C(NC[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(C(F)(F)F)cc1 9038980 HUCGCUGBQXEMQD-ZDUSSCGKSA-N 377.366 3.880 0 40 GHAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)n(C)n1 9200645 USHZIKDZODFPMD-UHFFFAOYSA-N 381.436 3.719 0 40 GHAB CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccccc1)S2 9294982 WALNJZNBNAKOMQ-MOPGFXCFSA-N 393.516 3.937 0 40 GHAB Cc1ccc(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)CC(C)C)cc1 9447485 PPZFWKGTAVPALA-UHFFFAOYSA-N 398.528 3.992 0 40 GHAB CN1C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Oc2ccccc21 9827883 CKUHCOWMQLWEFY-UHFFFAOYSA-N 380.425 3.870 0 40 GHAB CC(C)(C)c1ccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)cc1 10365539 WMFRNLMBTWDDHF-UHFFFAOYSA-N 380.554 3.589 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)NCCOc1ccc2ccccc2c1 10995922 QMAVWWZCAPFXTM-UHFFFAOYSA-N 377.440 3.789 0 40 GHAB COc1ccccc1C1(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CCCC1 12143070 CQPOIORUIIJBQG-IBGZPJMESA-N 392.499 3.629 0 40 GHAB O=C(CCS[C@@H]1CCc2ccccc2N=C1O)NC1Cc2ccccc2C1 12323191 SDKSWFUBDLLXKU-HXUWFJFHSA-N 380.513 3.996 0 40 GHAB Cc1ccccc1-n1c(C)nn(CN2CCN(c3ccccc3O)CC2)c1=S 12517586 DSFACEYHXIAHDH-UHFFFAOYSA-N 395.532 3.505 0 40 GHAB C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1Cl 12745393 XTMXYLYLPIFSMT-IAGOWNOFSA-N 399.922 3.868 0 40 GHAB COC(=O)c1cc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)ccc1F 12755137 JUBLDVNUSHPGMY-LJQANCHMSA-N 382.391 3.515 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 12759729 RPSNXLMRJAMFPY-ZAOIQFLMSA-N 395.455 3.852 0 40 GHAB C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc(S(C)(=O)=O)cc1 12764144 LHPJNVGUSUSLSO-CYBMUJFWSA-N 386.498 3.705 0 40 GHAB CSc1ccccc1NC(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 12867219 HXQHIVRBKMRUQR-HNNXBMFYSA-N 381.505 3.621 0 40 GHAB COc1ccc(-c2noc(-c3cc4cccc(OC)c4oc3=O)n2)c(OC)c1 12879916 BNLXHMZUUIZWAY-UHFFFAOYSA-N 380.356 3.536 0 40 GHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)[C@H](C)Sc1ccccc1 12905075 YNKYEEGRJOPNIZ-HNNXBMFYSA-N 390.936 3.986 0 40 GHAB O=C(COc1ccc(C(=O)O)cc1Cl)Nc1ccc(Br)cc1 13084742 FXEYTTBDNDPAQX-UHFFFAOYSA-N 384.613 3.818 0 40 GHAB O=C(NCc1ccccc1Cl)[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 13690373 FTRSVBUUZMXIBT-SFHVURJKSA-N 395.890 3.990 0 40 GHAB CC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714078 SMLDAJQYDONQEQ-SFHVURJKSA-N 394.924 3.543 0 40 GHAB CC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716058 CPEZPUSWOQFNKT-FQEVSTJZSA-N 388.533 3.507 0 40 GHAB CS(=O)(=O)c1cccc(NC(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)c1 16140461 PTKCGGBLFBZHDZ-VMPITWQZSA-N 389.860 3.714 0 40 GHAB COC(=O)c1c(NC(=S)N[C@H](C)c2ccncc2)sc2c1CCCC2 17076835 CEDIQFPZSLPCED-LLVKDONJSA-N 375.519 3.856 0 40 GHAB COc1ccc(C2(NCc3cn(CC(=O)NC(C)C)c4ccccc34)CC2)cc1 19449939 BALGHFOHLPYRSO-UHFFFAOYSA-N 391.515 3.953 0 40 GHAB CCCc1cc2c(cc1NC(=O)Cn1nc(C(F)(F)F)c3c1CCC3)OCO2 19525467 WVVNPWUAULUBKK-UHFFFAOYSA-N 395.381 3.711 0 40 GHAB CC(C)(C)c1csc(CCNC(=O)[C@]2(C)CC(c3ccccc3F)=NO2)n1 19660919 ONCILHIHHGZUTE-FQEVSTJZSA-N 389.496 3.822 0 40 GHAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)c3scnc3C)CC2)C1 19712788 HMCPGSAACKFKBW-OALUTQOASA-N 399.560 3.956 0 40 GHAB CCC(C)(C)[C@@H]1CCc2sc3ncnc(NCCN4CCOCC4)c3c2C1 20149838 WSLZUAAUDKFHBW-OAHLLOKOSA-N 388.581 3.977 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2cccs2)nc1 21742385 ZBVNBWSMQPVVHP-UHFFFAOYSA-N 387.530 3.995 0 40 GHAB CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(Cl)cc2)CC1 22460207 WQQYLQYIMKCFSM-DNVCBOLYSA-N 391.968 3.899 0 40 GHAB C[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C12CC3CC(CC(C3)C1)C2 22877174 ZUSSTCAXKBPDOL-AAUBKWPISA-N 394.515 3.670 0 40 GHAB CCC[C@@H](C)NC(=O)COC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 23267518 ZGODIXHAFJBGDU-QRWLVFNGSA-N 395.455 3.602 0 40 GHAB Cc1nn(C)c2ncc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)cc12 24029495 NTDKIHBHUMZWPT-UHFFFAOYSA-N 391.456 3.843 0 40 GHAB CNc1nc(SCC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)nc2ccccc12 24600131 IZFBMIZCYNNSAQ-LLVKDONJSA-N 398.454 3.953 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 25163898 MHUWMALEPLADIG-UHFFFAOYSA-N 388.467 3.911 0 40 GHAB CSCc1nc2sc(C(=O)N[C@H](C)c3ccccc3F)c(C)c2c(=O)[nH]1 28958606 AKDLFGCPEKQARW-SNVBAGLBSA-N 391.493 3.786 0 40 GHAB Cc1nn(CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c(=O)c2ccccc12 32753971 WARHAQJPURPBLC-HNNXBMFYSA-N 375.428 3.671 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)N3CCCCC[C@@H]3c3cccn3C)cnc12 32902676 IWWCMLFKOOYQKB-HXUWFJFHSA-N 392.503 3.577 0 40 GHAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cc1ccc2c(c1)OCCO2 32983421 SXYOQHUDKIUWSP-UHFFFAOYSA-N 399.472 3.551 0 40 GHAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)O[C@H](C)C(=O)N3CCCC3)c12 36713075 DPGJMLHOQQRGIT-CYBMUJFWSA-N 397.406 3.505 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](C(=O)OCc1ccc(CN(C)C)cc1)C(C)C 40155106 LUODBCVAIFVXLD-OAQYLSRUSA-N 382.504 3.554 0 40 GHAB O=C(CCCNC(=O)C1CC1)N[C@H](c1ccc(Cl)cc1)c1cccs1 41137131 VZEWOWIXLGRKOS-GOSISDBHSA-N 376.909 3.914 0 40 GHAB COc1cc(OC)c2[nH]c(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cc2c1 43730479 RBSYYXXFLJUPLF-IBGZPJMESA-N 384.407 3.538 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 44850141 ZXDKWWWUHPFVKQ-LJQANCHMSA-N 387.476 3.965 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)n1 47238819 BKELLFIKHXFMPH-OAHLLOKOSA-N 391.393 3.900 0 40 GHAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c(OC)c1OC 48369166 HMYCXHHBCIJKBO-LBPRGKRZSA-N 379.403 3.801 0 40 GHAB C[C@@H]1CCCN(CCCCNC(=O)N[C@@H]2CCCOc3ccc(F)cc32)C1 54785062 HDUBSNXFZKMAIL-VQIMIIECSA-N 377.504 3.851 0 40 GHAB CCN(CC)[C@@H]1COc2c(cc(Br)c(C)c2Br)C1=O 55116632 MVYDGCAPNDUWFZ-LLVKDONJSA-N 391.103 3.806 0 40 GHAB O=C(NC1CCCC1)c1ccccc1OS(=O)(=O)c1c(F)cc(F)cc1F 60507150 HOPWGDRHKSNKSS-UHFFFAOYSA-N 399.390 3.544 0 40 GHAB Fc1ccc([C@H]2CN(C(=S)Nc3ccc4c(c3)OC(F)(F)O4)CCO2)cc1 63669878 FEAZQEMIRDFPQS-MRXNPFEDSA-N 396.390 3.918 0 40 GHAB Cc1ccc(C(=O)OCC(=O)NCc2cccc(Br)c2)c(C)c1 67197972 WMYJZMKENHUXPZ-UHFFFAOYSA-N 376.250 3.539 0 40 GHAB CC(C)c1ccc(-c2cc3c4nn(Cc5ccccc5)c(=O)n4ccn3n2)cc1 67260552 IAXQXXHAGCKUDB-UHFFFAOYSA-N 383.455 3.982 0 40 GHAB COc1ccccc1OCC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635441 GVQOUDFLAGCAFV-SFHVURJKSA-N 395.377 3.693 0 40 GHAB CCCN1CCN(C(=O)C2CCC2)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 72351850 SFRPNZMQYQSASC-QFIPXVFZSA-N 391.515 3.541 0 40 GHAB Cn1ccc2ccc(C(=O)Nc3ccc(-n4cc(Br)cn4)nc3)cc21 72402781 SLLUCKBGLYCZSD-UHFFFAOYSA-N 396.248 3.774 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1ccc(-n2nc(C)c(Cl)c2C)nc1 72404857 KLXGASCPYTXCDT-UHFFFAOYSA-N 386.839 3.807 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cccc(N2CCCCC2=O)c1 77200715 VXJMKJYBDMSSMI-UHFFFAOYSA-N 392.434 3.995 0 40 GHAB COC(=O)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(OCC(C)C)cc1 78976176 NNDVJGUDXDMIPW-FQEVSTJZSA-N 383.488 3.555 0 40 GHAB Cc1nc([C@@H](C)N2CCc3nn(C)c(=O)cc3C2)oc1-c1ccc(Cl)cc1 84061264 XMESHZRUMFAVCE-CYBMUJFWSA-N 384.867 3.516 0 40 GHAB Cc1cc(C)c(C)c(S[C@@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)c1C 84075079 YYTJOXFHFKKVNJ-ZWKOTPCHSA-N 376.566 3.761 0 40 GHAB CC[C@@H](NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1)c1ccc(OC)cc1 84734124 UXPIKHGWKHDFHA-MOPGFXCFSA-N 385.485 3.984 0 40 GHAB O=C(c1cc(-c2ccccc2)on1)N1CC(Oc2nc3c(F)cccc3s2)C1 90593952 QIANOELIQDSOHT-UHFFFAOYSA-N 395.415 3.994 0 40 GHAB COC(=O)c1[nH]/c(=N/C(=O)c2cccc3c2ccn3C)sc1-c1ccccc1 95474594 YVUYJSNYEWRDPV-UHFFFAOYSA-N 391.452 3.763 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C)cc3C)n2)cc1 95482427 PLCFZMOIOWRYGD-MRXNPFEDSA-N 395.459 3.788 0 40 GHAB COCCN(C)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)nc1 95966962 JCZVACACQLIZJW-UHFFFAOYSA-N 394.500 3.963 0 40 GHAB COc1cccc(C(=O)Nc2ccccc2Cc2nc(-c3cccnc3)no2)c1 96102957 TUKCXQLFUHACFE-UHFFFAOYSA-N 386.411 3.983 0 40 GHAB C[C@H](CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 96795040 HRWLGHWLDGDWNR-NFBKMPQASA-N 379.548 3.675 0 40 GHAB Cc1ccc([C@](O)(Cc2nc(-c3ccc4c(c3)CCO4)no2)C(F)(F)F)o1 97102713 AJTWOZUJRJAGHJ-QGZVFWFLSA-N 380.322 3.566 0 40 GHAB Cc1ccc([C@H]2N=C(Nc3ccccc3Cl)Nc3nc(C)cc(=O)n32)cc1 100134382 LLJPOKPAWWZDIN-SFHVURJKSA-N 379.851 3.954 0 40 GHAB COc1cc(N/C=C\c2nnnn2-c2ccc(Cl)cc2)c(C(C)=O)cc1OC 100662143 XAZDWILYDZENDC-HJWRWDBZSA-N 399.838 3.618 0 40 GHAB Cc1ccc(-n2c(S)nc3ccc(I)cc3c2=O)cc1 100861722 RHFJDBYBTGBECT-UHFFFAOYSA-N 394.237 3.587 0 40 GHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102593359 GYOGOLMBCHDXQQ-ATUYINLCSA-N 398.462 3.805 0 40 GHAB CC1=C(c2ccccc2)[C@H]2[C@@H]3C=C[C@H](n4c(=O)n(-c5ccccc5)c(=O)n43)[C@@]12C 104290170 IBMOYNVTDRYDMG-JGUFOIBDSA-N 383.451 3.576 0 40 GHAB COC(=O)C1CCN(C(=O)c2ccc(OCc3ccccc3Cl)cc2)CC1 218990152 XDNLSEMAXNUZCT-UHFFFAOYSA-N 387.863 3.944 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 222921197 AXEDLINSDXEZJN-HXUWFJFHSA-N 384.545 3.782 0 40 GHAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2o1 223326667 FQSOUWUTTVHOCY-UHFFFAOYSA-N 392.742 3.594 0 40 GHAB CSc1ncc(-c2nnsc2C(=O)OCc2c(F)cccc2Cl)cn1 223856846 MSBREEWQGBHUEV-UHFFFAOYSA-N 396.856 3.867 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C)cc(C)c1Cl 225046972 JMXFFMFEVDKZES-UHFFFAOYSA-N 376.865 3.888 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccc(C)cc1 225413012 ITEZIRWZMZQEGM-MRXNPFEDSA-N 388.508 3.780 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1(O)Cc2ccccc2C1 225715469 KNYVKXFNJZXKIT-UHFFFAOYSA-N 382.847 3.563 0 40 GHAB C[C@H]1Cc2cc(Br)cc3c(=O)c(C(=O)NCC(C)(C)C)cn1c23 226094297 VJGPGLOSUOKFQF-JTQLQIEISA-N 377.282 3.657 0 40 GHAB CCCc1ncc(CN2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@H]3C2)cn1 248195405 OXYYHSFARQYGBZ-LEDOBFOHSA-N 381.520 3.557 0 40 GHAB COc1cccc2cc(C(=O)NC[C@@](O)(c3ccsc3)c3ccco3)oc12 253472495 MTABIFHQHGLBES-HXUWFJFHSA-N 383.425 3.762 0 40 GHAB NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccccc2)C1 257292704 QMPXEUKPLXDLQD-NRFANRHFSA-N 386.879 3.517 0 40 GHAB Cc1c[nH]c(-c2cc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc(C)n2)n1 257309948 UCZXSHIERABPIC-QGZVFWFLSA-N 393.466 3.571 0 40 GHAB CNC(=O)[C@]1(c2ccccn2)CCCN(Cc2ccccc2OC2CCCC2)C1 257322588 WGPIEHICQIFNIF-XMMPIXPASA-N 393.531 3.683 0 40 GHAB COc1cccc(NC(=O)N2[C@H]3CC[C@H]2CC(Oc2cccnc2)C3)c1OC 390830292 KACOCHYVFARUGH-GJZGRUSLSA-N 383.448 3.705 0 40 GHAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 408596204 RQKBLHVQYNCCMP-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB Cc1ccc(F)cc1NC(=O)CSc1nnc(COc2ccccc2)n1C 409345844 KBTASIDOWGJWCO-UHFFFAOYSA-N 386.452 3.572 0 40 GHAB CC(C)Cn1ncc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1C1CC1 558047349 HFZGLJAYFMQWJJ-ZDUSSCGKSA-N 375.494 3.541 0 40 GHAB O=C(Cn1cc2ccccc2n1)Nc1c(N2CCCC2)cccc1N1CCCC1 579445832 LGTFOWFYRQKLEW-UHFFFAOYSA-N 389.503 3.875 0 40 GHAB Cc1cc2c(N3CCC(COc4cccc(C(F)(F)F)n4)CC3)nccn2n1 585532980 ZLGVRJSFNUXRBT-UHFFFAOYSA-N 391.397 3.747 0 40 GHAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1csc(-c2ccccc2Cl)n1 608936261 MFDNIQMSSNKRDU-AWEZNQCLSA-N 396.921 3.584 0 40 GHAB Cc1ccc2sc(CN3CCn4c(Cc5ccccc5F)nnc4C3)nc2c1 625510761 IONRDOZRRQLWMR-UHFFFAOYSA-N 393.491 3.942 0 40 GHAB C[C@@H](COc1c(F)cccc1F)NC(=O)N[C@H](C)CCCc1cccnc1 661304361 QLXBFXXOXAZJJN-CABCVRRESA-N 377.435 3.838 0 40 GHAB Cc1c(O[C@H](C)C(=O)O[C@H](C)C(=O)O)ccc2c(=O)c(-c3ccccc3)coc12 725403160 YLROTNHBRBCJRC-ZIAGYGMSSA-N 396.395 3.552 0 40 GHAB Cn1nc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)c2c1CCC2 1615155875 IYWVDWSSIQGSFC-PMACEKPBSA-N 396.510 3.710 0 40 GHAB FC(F)(F)c1cc(N2CC[C@H](Oc3ccncc3Br)C2)ccn1 1888853112 RGTAHTSHSTUELH-NSHDSACASA-N 388.187 3.916 0 40 GHAB COc1ccc(C(=O)Oc2cc(=O)n(-c3ccccc3)c3c2CCCC3)cc1 704373 CCRYXZOLQVEBGO-UHFFFAOYSA-N 375.424 3.944 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NCc1ccco1 779329 KEHRHMSCUYRICY-UHFFFAOYSA-N 394.456 3.588 0 40 GHAB Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1C 812016 CQIBRPQXTVFKRZ-UHFFFAOYSA-N 379.504 3.860 0 40 GHAB O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1cccc(O)c1 1237869 WVMGZVIVOSKBEC-BAGULLTOSA-N 380.425 3.623 0 40 GHAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 2340276 DBWBDSDBKNDYCG-OAQYLSRUSA-N 398.418 3.942 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1 2620422 FPVRKDQPHQGFNM-UHFFFAOYSA-N 387.486 3.611 0 40 GHAB CCOc1ncccc1C(=O)OCC(=O)c1cc(C)n(Cc2ccco2)c1C 2649974 DUNPAYSIWIBJPH-UHFFFAOYSA-N 382.416 3.580 0 40 GHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)ccc1Cl 3263276 MVOJYOWURUXKQO-UHFFFAOYSA-N 394.880 3.829 0 40 GHAB CCOc1ccc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)cc1 3405778 SHXKROIWNPQBFE-UHFFFAOYSA-N 380.554 3.552 0 40 GHAB O=C(/C=C/c1c(Cl)nc2sccn12)Nc1ccccc1N1CCOCC1 3456063 MWPUWTQFEGRQDM-AATRIKPKSA-N 388.880 3.538 0 40 GHAB CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3557657 AVBWUYRRVKZTEF-UHFFFAOYSA-N 392.908 3.939 0 40 GHAB Cc1c(CC(=O)NCCCO)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 4090066 ITSSIHQZMABJAT-UHFFFAOYSA-N 391.423 3.556 0 40 GHAB biogenic COc1ccc(C(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 4341613 CLVUTAMLCBQOSS-UHFFFAOYSA-N 394.431 3.938 0 40 GHAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc1C 4477736 ZMDUWPMCXFRJCZ-NRFANRHFSA-N 384.863 3.915 0 40 GHAB Cc1ccccc1-n1cnnc1SCC(=O)N[C@@H](C)CCc1ccccc1 4501172 IJJOIGGMOONSRL-KRWDZBQOSA-N 380.517 3.805 0 40 GHAB CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2C1=O 4525113 NNECATPJQQEIID-UHFFFAOYSA-N 397.402 3.508 0 40 GHAB COCCCn1c(SCC(=O)c2ccc[nH]2)nnc1-c1ccc(Cl)cc1 4562883 HUTUVGADJJJITE-UHFFFAOYSA-N 390.896 3.938 0 40 GHAB CC(C)(C)c1ccc(C(=O)Oc2ccc([C@@H]3N[C@H](C(=O)O)CS3)cc2)cc1 4572004 WHVNNPAYVMRTLJ-ZWKOTPCHSA-N 385.485 3.992 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1Cl 4671180 WCTDCZQRVXVZDL-UHFFFAOYSA-N 388.832 3.868 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)o2)cc1OC 5019267 WASMCUXWHILWIF-JSGCOSHPSA-N 391.493 3.541 0 40 GHAB COc1ccccc1CCNC(=O)CSc1ccc(-c2ccc(F)cc2)nn1 5108036 VLWKRPKQIGXKFL-UHFFFAOYSA-N 397.475 3.742 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc3ccc(-c4cccs4)nn23)cc1 5168240 SJVPBNVLRLMIAW-UHFFFAOYSA-N 381.486 3.892 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)ccc3OC)o2)cc1 5788736 ZGBRJLUBGJATSG-UHFFFAOYSA-N 399.472 3.717 0 40 GHAB Cc1ccc(C)c(NC(=S)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 5933154 VNFPDTRKICOYTJ-UHFFFAOYSA-N 377.535 3.671 0 40 GHAB Cc1ccc(C)c(-c2csc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)n2)c1 6083312 SVRCLGNXRDQURX-HNAYVOBHSA-N 387.530 3.819 0 40 GHAB O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1ccccc1Br 6474032 VFQIECVOHSFPIZ-UHFFFAOYSA-N 394.212 3.946 0 40 GHAB Cc1cc(SCC(=O)Nc2ccc(C(N)=O)cc2)c(C)cc1Br 6602456 LQEVTILHFYBAEU-UHFFFAOYSA-N 393.306 3.896 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(SC)c2)C1 6652973 WTYMGYLLRFVMQO-AWEZNQCLSA-N 398.484 3.577 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1ccc(Br)cn1 6787279 JBUYNPHENWTYTN-UHFFFAOYSA-N 386.043 3.624 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccccc1C)S2 6811869 UQVDZNDXNYSEFJ-RBUKOAKNSA-N 393.516 3.855 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2ccccc2F)c1 7071163 UWAFSQZQNYMSLY-UHFFFAOYSA-N 392.496 3.654 0 40 GHAB COc1ccc(-c2nnc([C@@H](C)Sc3nnnn3-c3ccccc3)o2)cc1 7096378 NYSXUJCIMYODKA-GFCCVEGCSA-N 380.433 3.574 0 40 GHAB CC(C)CCNc1nc(-c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cs1 7273994 ICSFXPWSTKNTBP-CYBMUJFWSA-N 379.551 3.979 0 40 GHAB Cc1ccc2nc(CSc3nnc(-c4cccs4)n3C3CC3)cc(=O)n2c1 7763602 BCBRVHRVMFPQEH-UHFFFAOYSA-N 395.513 3.950 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)c2ccc(SC)cc2OC)CC1 8025247 ULAMGCUVBKENDD-UHFFFAOYSA-N 385.533 3.811 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 8393889 BVTMDOGIEHNDPF-FXAWDEMLSA-N 386.904 3.547 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(SC[C@@H]3CC3(Cl)Cl)nnc12 8747323 RRYFQAKDMASHAB-JTQLQIEISA-N 383.304 3.740 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CN(C(=O)C(C)C)CC3)cc1 9035794 RLYZOJXXQFZKBJ-UHFFFAOYSA-N 380.488 3.807 0 40 GHAB O=C(NC[C@H]1CN(c2ccc(F)cc2)C(=O)O1)c1cc(Cl)ccc1Cl 9070276 MRDNSUKFXXTNFT-ZDUSSCGKSA-N 383.206 3.888 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)c1 9237886 KSVKNHBQJWQSSO-MSOLQXFVSA-N 379.489 3.601 0 40 GHAB Cc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)cc1Cl 9237948 YLOFROSLKLMRPE-IRXDYDNUSA-N 399.907 3.946 0 40 GHAB COc1ccc2nc(-c3ccc(F)c(NC(=O)c4ccccc4OC)c3)cn2n1 11693551 NBWAIHWRJHQCLL-UHFFFAOYSA-N 392.390 3.805 0 40 GHAB COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2cc(C3CC3)on2)cc1 12145693 KJYOHZKSFTVIGP-KRWDZBQOSA-N 378.432 3.554 0 40 GHAB COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 12329910 ZLQGCNQIYZJAPZ-FCHUYYIVSA-N 397.515 3.696 0 40 GHAB CCCNC(=O)CSc1nnc2c3ccccc3nc(-c3ccc(C)cc3)n12 12411131 MYTKAAAQGMYUML-UHFFFAOYSA-N 391.500 3.871 0 40 GHAB O=C1C[C@@H](c2ccc(Cl)cc2)c2cnn(Cc3ccc4c(c3)OCO4)c2N1 12429118 CDEYEELOLKUJQK-HNNXBMFYSA-N 381.819 3.788 0 40 GHAB O=C(CN1CCN(c2ccccc2)CC1)N(Cc1ccccc1)Cc1ccco1 12516689 ZWGNCMRSEJJOKS-UHFFFAOYSA-N 389.499 3.631 0 40 GHAB CN(Cc1ccccc1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1 12601849 RTBHLJKQSWRYRT-IRFCIJBXSA-N 398.576 3.712 0 40 GHAB biogenic,in-vitro CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccnn1Cc1ccccc1 12775815 BOWTZHOCLDUXDA-NRFANRHFSA-N 386.455 3.834 0 40 GHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2c(s1)CC[C@H](C)C2 12790188 KBIDALDREBZRTF-AWEZNQCLSA-N 386.517 3.982 0 40 GHAB COc1cc2c(c3oc(=O)c(CC(=O)NC4CCCC4)c(C)c13)CCC(C)(C)O2 12900061 SSAJEJOHUNXXDC-UHFFFAOYSA-N 399.487 3.815 0 40 GHAB biogenic O=C(NCc1ccccc1OC(F)(F)F)c1ccc(NC(=O)C2CC2)cc1 12910651 FGJJSEODWABQDN-UHFFFAOYSA-N 378.350 3.864 0 40 GHAB O=C(CCCc1cccs1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 12984853 RZBAEBFDUPJIOZ-UHFFFAOYSA-N 398.484 3.928 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 12998320 ONCBYPNQMBFOGW-ZDUSSCGKSA-N 381.501 3.592 0 40 GHAB Cc1ccccc1C(=O)Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1 13368351 CRRURYVANCOXSF-UHFFFAOYSA-N 391.452 3.896 0 40 GHAB CC(C)NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 13583784 ZZWGQBIPYYGGFA-UHFFFAOYSA-N 392.908 3.620 0 40 GHAB Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)N3CCN4CCC[C@@H]4C3)c12 13642202 ORTYBRSSOJXZFX-MRXNPFEDSA-N 396.878 3.772 0 40 GHAB CCN(CC)CCn1/c(=N/C(=O)[C@@H](C)Oc2ccc(C)cc2)[nH]c2ccccc21 14651251 MTMJETBFDPQVPG-GOSISDBHSA-N 394.519 3.514 0 40 GHAB C[C@@H](C(=O)OCc1ccc(F)cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 14759711 UWAXYHHTSBMVMF-VIFPVBQESA-N 396.201 3.860 0 40 GHAB O=C(CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)[nH]1)Nc1cccc(F)c1 16841861 ZIZDVDYOTYHGFV-UHFFFAOYSA-N 394.431 3.788 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)C1 16956111 PFRRGZAHSQZXRC-KBPBESRZSA-N 378.542 3.809 0 40 GHAB Cc1noc2nc(C3CCN(C(=O)c4ccncc4)CC3)cc(C(F)(F)F)c12 19564929 GRAPQFMRTCEYGE-UHFFFAOYSA-N 390.365 3.965 0 40 GHAB Cc1c(-c2csc(NC(=O)C(C)(C)n3cncn3)n2)c2ccccc2n1C 19581832 UTXYEQBOMQKINZ-UHFFFAOYSA-N 380.477 3.576 0 40 GHAB O=C(c1ccncc1)N1CCC[C@@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 19703605 JAAYTQQMDUTVGT-HXUWFJFHSA-N 380.423 3.543 0 40 GHAB O=C(CCCc1ccc(F)cc1)N1CCc2nc(-c3cncnc3)sc2C1 19719908 KUIDQBFXIOTIQJ-UHFFFAOYSA-N 382.464 3.647 0 40 GHAB O=C1Nc2ccc(Cl)cc2[C@@]12CC(O)=Nc1c2cnn1-c1cccc(F)c1 20728649 QQTPLHMYYVCQPA-LJQANCHMSA-N 382.782 3.895 0 40 GHAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(Br)c1)CC(O)=N2 20744833 JZJASNMYWATLCI-CYBMUJFWSA-N 384.237 3.857 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)N(C)C 21805565 QPWMXOJQFUODPL-LJQANCHMSA-N 379.460 3.691 0 40 GHAB O=C1COc2ccccc2N1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 23125959 NBBYCEILDBFJRJ-UHFFFAOYSA-N 375.306 3.681 0 40 GHAB COc1cccc(CN(C)C(=O)CCC(=O)c2ccc3c(c2)CCC3)c1OC 23528519 YXYKFRWEWDKPJV-UHFFFAOYSA-N 381.472 3.814 0 40 GHAB CCOc1ccc2ncc(C(=O)c3ccc(C)cc3)c(N3CCN(C)CC3)c2c1 23643433 GGTOUKIEDNLIQW-UHFFFAOYSA-N 389.499 3.925 0 40 GHAB COc1cc(CNC(=O)CCSc2ccc(C)cc2)cc(OC)c1OC 24384906 DVYXBANRGNUZOX-UHFFFAOYSA-N 375.490 3.819 0 40 GHAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cccc(C(F)(F)F)c1 27979243 UFVMNSJPXBSNKV-OAHLLOKOSA-N 381.350 3.908 0 40 GHAB CCCOc1ccc(C(F)(F)F)cc1N[C@H](C)C(=O)NC(=O)NC(C)(C)C 28809680 CLCHBZXMASQCJS-LLVKDONJSA-N 389.418 3.919 0 40 GHAB COc1cccc(-n2cnc3cc(C(=O)Nc4cccc(F)c4)ccc3c2=O)c1 32104659 BGFHVEFPYCAQOA-UHFFFAOYSA-N 389.386 3.786 0 40 GHAB Cc1ccc2cc(C(=O)N3CCC(C(=O)Nc4cc(C)on4)CC3)c(C)nc2c1 32920727 KJWOOQMEOMYXIV-UHFFFAOYSA-N 392.459 3.639 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)Nc1nccn(-c2ccc(F)cc2)c1=O 38653701 KEBBZNLBKBHTMC-UHFFFAOYSA-N 376.750 3.808 0 40 GHAB COc1ccc(CNC(=O)c2ccc(OCc3cccnc3)cc2)cc1OC 40069542 GJBFUUNSVHOULT-UHFFFAOYSA-N 378.428 3.608 0 40 GHAB Cc1c(NC(=O)NC[C@H]2CCCc3ccccc32)c(=O)n(-c2ccccc2)n1C 40094855 DXUWLXWHWYIDNV-GOSISDBHSA-N 390.487 3.726 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCSc3ccccc3)C2)nc1 40145922 PHGWFMUQIJUKTO-QGZVFWFLSA-N 383.517 3.750 0 40 GHAB CCOc1ccc(/C=C/C(=O)Nc2cccc(-n3cc[nH]c3=O)c2)cc1OCC 40155339 BQBXPFKKSRKDAR-PKNBQFBNSA-N 393.443 3.615 0 40 GHAB COc1ccc(CCNC(=O)Nc2ccccc2-n2nc(C)cc2C)cc1OC 44209262 KXXRFCVXORALAT-UHFFFAOYSA-N 394.475 3.871 0 40 GHAB COC(=O)c1c(NCc2cc(F)cc(F)c2)c2cccc(Cl)c2[nH]c1=O 49001619 QRPDSCZHGXKSMF-UHFFFAOYSA-N 378.762 3.858 0 40 GHAB CSc1cccc(-n2ccc(=O)c(-c3nc(-c4cccc(C)c4)no3)n2)c1 49006378 DTJLMXJPYDICHF-UHFFFAOYSA-N 376.441 3.980 0 40 GHAB O=C(NC1CCCCC1)NC1CCN(C(=O)CCCc2cccs2)CC1 55409154 IMYYSNNKYNONKL-UHFFFAOYSA-N 377.554 3.694 0 40 GHAB CCOc1cc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)ccc1OC 55428849 YALQNSKVDOQUQB-UHFFFAOYSA-N 386.839 3.889 0 40 GHAB Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(SC(C)C)cc2)c1C 56157638 PDVMKYOAROUJHO-UHFFFAOYSA-N 378.519 3.704 0 40 GHAB O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCCCCCC1 58367407 KBHWBUJKLXJFJW-OAQYLSRUSA-N 390.483 3.687 0 40 GHAB CCOc1cc(/C=C2/N=C(c3ccccc3Br)OC2=O)ccc1O 58872061 COBSYGUWGPDGGB-NTEUORMPSA-N 388.217 3.898 0 40 GHAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccccc2F)c1 65311032 NRSIJADCSBROSL-UHFFFAOYSA-N 380.423 3.690 0 40 GHAB Cc1ccc(C)c(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)c1 67298516 LPWROVFSNLEHOO-LIJORCRASA-N 392.455 3.896 0 40 GHAB Cc1csc([C@@](O)(CC(=O)NC23CC4CC(CC(C4)C2)C3)C(F)(F)F)n1 67708220 IGKSVWNSGLALPW-ZZTCSTBXSA-N 388.455 3.677 0 40 GHAB O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccc2nccn2c1 68433300 MMZMDCWQHRIYMJ-UHFFFAOYSA-N 382.895 3.630 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H](c3cncc(Oc4cccc(F)c4)n3)C2)cn1 72362503 XSZSLGZLUIYHQJ-HNNXBMFYSA-N 393.422 3.526 0 40 GHAB COc1cc(OC)c(CNC(=O)/C=C/c2nc3ccccc3s2)c(OC)c1 83915524 VRLZRWYWUGAWII-CMDGGOBGSA-N 384.457 3.652 0 40 GHAB COc1ccc(Br)c(C=O)c1OCC(=O)Nc1ccc(C)cc1 95095015 RZDUQQLYFQJAMX-UHFFFAOYSA-N 378.222 3.596 0 40 GHAB Cc1c(NC(=O)c2cccc(NC(=O)NC(C)C)c2)cccc1N1CCOCC1 95458591 MLPXCXBJGYKEFH-UHFFFAOYSA-N 396.491 3.614 0 40 GHAB Cc1cccc(NC(=O)N2CCOC[C@@H]2c2c(C)nn(CC(F)(F)F)c2C)c1 96002646 LSBKNCWOAWOFOP-MRXNPFEDSA-N 396.413 3.976 0 40 GHAB Cc1ccccc1[C@H]1CN(C(=O)Nc2cccc(-n3ccnn3)c2)[C@@H](C)CO1 96013219 ZGRRDPVAGMFMHA-OXJNMPFZSA-N 377.448 3.570 0 40 GHAB O=C(CCc1cccnc1)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 96203021 KJOVJBQJFWZLOS-UHFFFAOYSA-N 383.923 3.792 0 40 GHAB Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3noc(-c4ccccc4)n3)C2)cc1C 98212952 OAKNOAUGSBHSRB-LJQANCHMSA-N 391.475 3.749 0 40 GHAB COC(C)(C)C(=O)NC[C@H]1CC[C@H](c2c(C(N)=O)sc3ccccc32)CC1 100657951 BTMXSCYTCDFVEW-OKILXGFUSA-N 388.533 3.815 0 40 GHAB CC(=O)Nc1ccc2c(c1)s/c(=N/C(=O)c1ccc3ncsc3c1)n2C 100706044 GIUJKNGQRWQBJI-DYTRJAOYSA-N 382.470 3.549 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1C 219284341 TXGYVVZPAGERBV-CYBMUJFWSA-N 380.897 3.819 0 40 GHAB O=C(CCn1cnc2ccccc2c1=O)N1CCS[C@@H](c2cccs2)CC1 219467858 IPNYTUSHUKVJAI-GOSISDBHSA-N 399.541 3.555 0 40 GHAB CCCc1ccc(OCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 223829619 RMBBDOBLSFSYRL-UHFFFAOYSA-N 388.467 3.948 0 40 GHAB COc1ccc(OC)c(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 224306532 RVCRRRDDQBBQDE-RGEXLXHISA-N 392.411 3.706 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 225009368 RCUDAIZNDJNSHJ-DLBZAZTESA-N 386.467 3.537 0 40 GHAB CC(C)[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 225195898 IVUNLYZJUOQSJB-OAHLLOKOSA-N 394.924 3.696 0 40 GHAB O=S(=O)(CCCOc1ccccc1)NCc1cncc(-c2cccs2)c1 225669124 ZBPHJJNLUFFBHC-UHFFFAOYSA-N 388.514 3.699 0 40 GHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCc1cccs1)[C@]1(C2)NC(=O)c2ccccc2O1 253596595 TUBSUMCPLNXBMM-DCZDKMHXSA-N 396.512 3.709 0 40 GHAB Cc1cc(Nc2cc(C[C@@H]3CCCN(C(=O)C4CCCCC4)C3)nc(C)n2)[nH]n1 257238569 HLPUUMXXGHMJIQ-KRWDZBQOSA-N 396.539 3.922 0 40 GHAB CCC[C@H]1CCN(Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]1Nc1ccccc1 257253689 JZWGZPREFJDMQI-PZJWPPBQSA-N 392.547 3.980 0 40 GHAB CN1CCC(C(=O)N2CCC[C@](C)(c3ncc(Cc4ccccc4F)o3)C2)CC1 257301096 RWZFLMFDKWOQFZ-QHCPKHFHSA-N 399.510 3.626 0 40 GHAB Cc1cc(C)cc(CN2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)c1 306132117 KZBHBOROIMSMNP-QHCPKHFHSA-N 399.498 3.982 0 40 GHAB O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 408626573 IDWAPCXYUHEDKW-UHFFFAOYSA-N 383.256 3.891 0 40 GHAB CC(F)(F)[C@]1(O)CC(c2ccc(Cl)cc2)=NN1C(=O)COc1ccccc1 409005123 ZHQKMHMBDWTOSU-LJQANCHMSA-N 394.805 3.699 0 40 GHAB COc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(F)cc3)C1=O)OCO2 409053971 PDDQFDGGBPUVGC-IDUWFGFVSA-N 387.388 3.800 0 40 GHAB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1C(C)(C)C 409095169 HEUNLYXTEIKDLN-OQLLNIDSSA-N 378.494 3.848 0 40 GHAB Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)Nc1ccccc1 409410572 OEPZSAPDHRVCDY-TXPKVOOTSA-N 384.501 3.714 0 40 GHAB Cc1nc[nH]c1CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C1CCCCC1 528740466 HLLPSEMZFRWQBY-LEWJYISDSA-N 380.536 3.663 0 40 GHAB C[C@@H](NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)c1csnn1 563331892 ZCOCHXNQJWGTGM-MRVPVSSYSA-N 391.444 3.664 0 40 GHAB CC(C)(C)c1cc(NC(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)n(-c2ccccn2)n1 567026293 IXOKPQNFIUYGKG-HOTGVXAUSA-N 395.507 3.598 0 40 GHAB Cc1ccccc1[C@@H]1C[C@@H](C)N([C@H](C)C(=O)NCc2ccc(C(=O)O)cc2)C1 574762987 CYBHMDUFPSMAOR-MBOZVWFJSA-N 380.488 3.576 0 40 GHAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H](Oc2ncc(F)cn2)C1 575613068 OLLXXJKUMVTLRL-FQEVSTJZSA-N 391.446 3.818 0 40 GHAB C[C@H](c1ccccc1)n1ccc(NC(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)n1 682100638 GBYAKDBXYYENTB-CQSZACIVSA-N 395.438 3.977 0 40 GHAB Cc1cc2cc(NC(=O)NCc3noc4c3CC(C)(C)CC4)ccc2n(C)c1=O 1677945547 ZDZHRDNGKWFUNQ-UHFFFAOYSA-N 394.475 3.672 0 40 GHAB Cc1nc(CN2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)cs1 1775975157 APVGNZAQDUZHEC-UHFFFAOYSA-N 385.924 3.884 0 40 GHAB Cc1nc(C(=O)N2CCc3sc(COCc4ccncc4)cc3C2)cs1 2055772228 KKGFZUVLQURWFX-UHFFFAOYSA-N 385.514 3.823 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4nccs4)ncnc32)cc1C 1346455 AIIVPXSXURSEBX-UHFFFAOYSA-N 396.501 3.620 0 40 GHAB COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1Cl 1379578 UYPAYHJKHGHEEH-KRWDZBQOSA-N 387.867 3.661 0 40 GHAB C[C@@H](c1nnc(SCC(=O)OC(C)(C)C)n1-c1ccc(Cl)cc1)N(C)C 22718685 JKDBSOQNDUWISD-LBPRGKRZSA-N 396.944 3.977 0 40 GHAB O=C(NC1CCCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3566940 BUWWALZJZNWVML-UHFFFAOYSA-N 398.956 3.967 0 40 GHAB COc1ccc(CCNC(=O)c2cc(-c3ccccc3Cl)on2)cc1OC 815175 UPLMMLAJKUYLMI-UHFFFAOYSA-N 386.835 3.985 0 40 GHAB biogenic Cc1cccc2cc(CN(Cc3ccccc3)C(=O)[C@@H]3CCCO3)c(=O)[nH]c12 4540625 YXBIPCXVDAKKLN-FQEVSTJZSA-N 376.456 3.544 0 40 GHAB CN(C)[C@H](CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1cccs1 23238421 SFYMATIACUOHQC-QGZVFWFLSA-N 398.532 3.525 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)Nc3ccc(C)cc3)cc2c1 4860164 GIKKDBBWQFGCSZ-UHFFFAOYSA-N 393.487 3.815 0 40 GHAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2)cc1 4965792 PWANPLKZWCJEIN-FQEVSTJZSA-N 390.443 3.709 0 40 GHAB CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1C(C)C 6630736 ALFUTUQKHSFPDE-WOJGMQOQSA-N 393.443 3.579 0 40 GHAB CCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 6767059 DOKYDSRULYUPGN-UHFFFAOYSA-N 392.908 3.621 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3C)CC2)cc1 6975948 GINSWNNLSRZTBH-UHFFFAOYSA-N 386.879 3.579 0 40 GHAB COCCCNCc1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 7360368 CKDSNCSQKLILLO-UHFFFAOYSA-N 376.522 3.539 0 40 GHAB CN1CCc2nc(NC(=O)COc3ccccc3Cc3ccccc3)sc2C1 23608109 JWFNKXNMSHNLIE-UHFFFAOYSA-N 393.512 3.739 0 40 GHAB Cc1c(C(=O)NC[C@@H](c2ccccc2)N(C)C)cnn1-c1cccc(Cl)c1 24543989 HYPSIHOPAAOHPX-FQEVSTJZSA-N 382.895 3.867 0 40 GHAB Cc1cc(C)cc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1 8335668 CONRYTMVRWBNBW-UHFFFAOYSA-N 388.533 3.809 0 40 GHAB Cc1cc(C(F)(F)F)nn1CCc1cc(O)n2ncc(-c3ccccc3)c2n1 100732980 YNHGAJVGDDHWTB-UHFFFAOYSA-N 387.365 3.868 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(C)n1C1CC1 10985141 GHEDQYIEXUFTIO-CYBMUJFWSA-N 398.484 3.912 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1F)c1ccc(F)cc1 8810790 JDYUZTJAKIJRNU-UHFFFAOYSA-N 394.443 3.828 0 40 GHAB O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC2(CC1)OCCO2 24995034 YWOGGUWYJHNHKL-UHFFFAOYSA-N 387.863 3.898 0 40 GHAB O=c1/c(=C/c2cccc(Oc3ccccc3)c2)sc2nc(-c3ccncc3)nn12 1481392 RYXWNJSXAYJIOU-RGEXLXHISA-N 398.447 3.553 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc3ncccc3c2)n2ncnc2N1 1467347 YVKYLQYQYCAWFJ-FQEVSTJZSA-N 382.427 3.754 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C 107070912 SAMIRNCCPDFMTA-ZYSHUDEJSA-N 394.943 3.662 0 40 GHAB O=C(COCC(=O)Nc1ccc(Cl)cc1F)Nc1ccc(Cl)cc1F 3231090 UFSJHHSKPWGERD-UHFFFAOYSA-N 389.185 3.865 0 40 GHAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NCc3ccccc3)c2C1 3240349 BRACWMSUXBIUGB-INIZCTEOSA-N 388.467 3.833 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc2c(cc1Cl)OCO2 27220127 TWDSBIIYGLFQPO-KRWDZBQOSA-N 384.819 3.971 0 40 GHAB Cc1noc(CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)n1 12606457 DBXUFNHRTVOHAR-CQSZACIVSA-N 384.509 3.798 0 40 GHAB CCN(CC)c1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cn1 58223313 HIINGHQESMDWQL-UHFFFAOYSA-N 375.476 3.734 0 40 GHAB COc1ccc2c(c1)[nH]c1c(NCCc3ccc(OC)c(OC)c3)ncnc12 2152095 LXHVOBBEQXQBKA-UHFFFAOYSA-N 378.432 3.792 0 40 GHAB biogenic O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1csc(-c2ccccc2)n1 12766013 AZXNXNMMULOVQG-KRWDZBQOSA-N 399.541 3.675 0 40 GHAB COc1cc2c(cc1OC)-c1cc(Oc3cccc(Cl)c3)nc(=O)n1CC2 2329818 SWTCTUUGGHLCMV-UHFFFAOYSA-N 384.819 3.929 0 40 GHAB CO[C@@H](CNC(=O)NC1CCN(Cc2ccccc2C)CC1)c1ccccc1 45577241 IEWYUZULYSIWBH-QFIPXVFZSA-N 381.520 3.646 0 40 GHAB CCN(CCNC[C@H](O)COCc1ccc(Cl)cc1)c1cccc(C)c1 3354023 DRWPJBUUVULMQK-NRFANRHFSA-N 376.928 3.642 0 40 GHAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 2463661 POVNFSCXKCEFDG-SFHVURJKSA-N 388.489 3.687 0 40 GHAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)OC[C@@H]1CCCO1 11562575 JADGADUIQVHBAY-SFHVURJKSA-N 392.455 3.943 0 40 GHAB Cc1cc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)c(C)s1 48314641 BMDZYMCJLZGVNF-GFCCVEGCSA-N 396.534 3.542 0 40 GHAB COc1cc(CN(C)CC(=O)Nc2cc(C)cc(C)c2)ccc1OC(F)F 2663526 MLWITEJXEYYVHF-UHFFFAOYSA-N 378.419 3.984 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)C2(c3cccc(F)c3)CCCC2)cc1 2663315 GXALUBJIISHCLS-MRXNPFEDSA-N 399.462 3.894 0 40 GHAB COc1ccc(Cl)cc1C(=O)OCC(=O)NCCc1ccc(Cl)cc1 3497650 BMAACXFQLQNXLH-UHFFFAOYSA-N 382.243 3.518 0 40 GHAB CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)CNCCc2ccccn2)cc1 3423451 UEHSGTRJGAIEPM-QHCPKHFHSA-N 390.527 3.980 0 40 GHAB O=C(CNc1ccc(I)cc1)Nc1ccccc1Cl 3405943 AWKALBKOAYNEIG-UHFFFAOYSA-N 386.620 3.995 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1Cl 3419061 FZHGPMRDBQHCLI-FQEVSTJZSA-N 397.906 3.994 0 40 GHAB COC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCCC1 12987428 BBOUJLSGZBUUSW-UHFFFAOYSA-N 399.818 3.513 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N(C)Cc2ccc(C)cc2)c1 12915366 XTZQDULHLSDZKA-OAQYLSRUSA-N 382.504 3.808 0 40 GHAB CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)NC1=S 3667713 VBKJGTHTVYUWPR-ATVHPVEESA-N 382.485 3.742 0 40 GHAB O=C(COc1coc(CN2CCCC2)cc1=O)Nc1cc(Cl)ccc1Cl 71284377 IKEARJLGFMPXTF-UHFFFAOYSA-N 397.258 3.560 0 40 GHAB Cc1cccc(NC(=O)COc2cc(C)nc(N3CCc4ccccc4C3)n2)c1 48985768 ISJBDUYMBOWPHJ-UHFFFAOYSA-N 388.471 3.674 0 40 GHAB CC/C(Nc1ccc2c(c1)CCC2)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 9111417 CUJGEOYKNHAQSD-VHEBQXMUSA-N 381.476 3.662 0 40 GHAB CC[C@H](CO)Nc1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 13207192 GSISMPWVAGYSBN-GFCCVEGCSA-N 384.480 3.929 0 40 GHAB O=C(NC1CCCC1)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 4084310 UFQZCXCQGCZSQD-RBBKRZOGSA-N 385.467 3.697 0 40 GHAB biogenic COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1 5033930 PQIZFLDKYBRAST-AWEZNQCLSA-N 397.504 3.914 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cc(C)ccc2C)cc1 9237389 QHOQDPAKSSUXJK-RTBURBONSA-N 393.516 3.910 0 40 GHAB CC(=O)c1ccc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 14196614 QPGDOBPONLZPSO-UHFFFAOYSA-N 380.488 3.570 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1 14119247 RXNFWUQJDYTKMC-UHFFFAOYSA-N 385.508 3.865 0 40 GHAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(C(=O)Nc2ccccc2)CC1 14238924 PORRYFVLAYTRJL-INIZCTEOSA-N 399.922 3.695 0 40 GHAB CCOC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCOCC1 4711530 HFXIIIFUPLQQRT-UHFFFAOYSA-N 388.851 3.606 0 40 GHAB COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccc(C)cc2)cc1 4816426 CJLRZWXMRHSHJR-UHFFFAOYSA-N 399.454 3.958 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1 7253652 MUGTYZACCUUDOJ-UHFFFAOYSA-N 386.521 3.615 0 40 GHAB C[C@@H](NC(=O)CNC(=O)/C=C/c1ccccc1)c1cccc(C(F)(F)F)c1 15694702 PCRZMLRUDAMPCA-PLSXKVAHSA-N 376.378 3.712 0 40 GHAB Cc1cc(C)cc(-n2nnnc2SCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 7714322 JJZPAVWVXWWRPK-WMZOPIPTSA-N 385.537 3.552 0 40 GHAB Cc1ccc(-c2csc3ncnc(S[C@@H](C)C(=O)N4CCNC4=O)c23)cc1 7822057 XTSKUTZQOXCVQF-LBPRGKRZSA-N 398.513 3.699 0 40 GHAB O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccco1)Cc1cccs1 7988480 MJJYYGWVZIDVME-UHFFFAOYSA-N 391.470 3.503 0 40 GHAB Cc1ccc(C)c(-n2cnnc2SCC(=O)Nc2ccnn2C2CCCC2)c1 8025154 GOOCEVRDOJPPPL-UHFFFAOYSA-N 396.520 3.927 0 40 GHAB O=C1N[C@]2(Nc3ccccc31)C(=O)N(Cc1ccc(Cl)cc1)c1ccccc12 8188316 MKWFGHZCJBIIIR-QFIPXVFZSA-N 389.842 3.895 0 40 GHAB Cc1noc(-c2ccc(C(=O)Nc3cccc(N4CCCCC4=O)c3)cc2)n1 25238029 TVACLQFTIWKKCN-UHFFFAOYSA-N 376.416 3.814 0 40 GHAB Cc1cc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)c(C)n1Cc1cccs1 8850556 KIAWCBRTCGAKJA-UHFFFAOYSA-N 384.501 3.717 0 40 GHAB COCCn1ccc2ccc(C(=O)NCCc3c[nH]c4ccc(OC)cc34)cc21 85879340 AVYWVAZWVIJIMN-UHFFFAOYSA-N 391.471 3.750 0 40 GHAB biogenic CN(c1ccc(C(=O)N2CCc3ccccc32)cc1)S(=O)(=O)c1cccs1 26114170 RXFQWJSBESVCKQ-UHFFFAOYSA-N 398.509 3.776 0 40 GHAB CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc(O)cc3O)o2)cc1 22004513 VZVUJDRGUQIOIB-UHFFFAOYSA-N 399.472 3.969 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CCCCCCC1 408583610 IQXYAISFXYOLKJ-INIZCTEOSA-N 388.533 3.736 0 40 GHAB O=C(CCc1cccnc1)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 31917279 ODYZYBVLVHICEZ-UHFFFAOYSA-N 389.411 3.634 0 40 GHAB Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72384048 VSCNDOWSKAJANN-GOSISDBHSA-N 397.866 3.942 0 40 GHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 8719924 QXEYYSOQVVMNPZ-UHFFFAOYSA-N 375.215 3.605 0 40 GHAB CC[C@@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 218985476 OTLIAFHZDFCCDQ-LJQANCHMSA-N 375.490 3.758 0 40 GHAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc2c(c1)OCCCO2 35686371 JFCOXCVWSGJFCR-UHFFFAOYSA-N 392.407 3.705 0 40 GHAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(F)c(F)c1 71980536 BTMCZAXLYVKNHS-FOCKTWCOSA-N 381.419 3.823 0 40 GHAB CN1CCC(C(=O)N2CCC[C@H](c3nccnc3-c3cccc(Cl)c3)C2)CC1 72359209 LBUHBBZFLJOZAO-SFHVURJKSA-N 398.938 3.845 0 40 GHAB Cc1cc(CN2CCc3c(O)nc(N4CCC[C@H](C)C4)nc3C2)c(C)n1C1CC1 72335630 RNWIBJDZHZCFTL-HNNXBMFYSA-N 395.551 3.730 0 40 GHAB NC(=S)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218651154 YQDFYVJNPRGXMG-ILXRZTDVSA-N 386.325 3.835 0 40 GHAB Cc1cn2c(=O)cc(COc3cc(NC(=O)c4ccco4)ccc3C)nc2s1 41077355 MOEFTRBTWZXRFF-UHFFFAOYSA-N 395.440 3.797 0 40 GHAB CS(=O)(=O)N[C@@H](CC(=O)NC1CCCCCCC1)c1ccc(Cl)cc1 225952854 RXUHEZXDWZPGIF-KRWDZBQOSA-N 386.945 3.550 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 220299908 WJNFGHREVGZIGR-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB O=C(Cc1ccccc1)NCCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 40117518 VXVMRMMCHKOLCS-QHCPKHFHSA-N 382.479 3.922 0 40 GHAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)S1 222628796 LHPOKNCOWZPSLN-YSSFQJQWSA-N 375.501 3.916 0 40 GHAB COc1ccccc1CN(CCCn1ccnc1)Cc1nc2ccccc2[nH]1 43277817 OIDYRAQHXWAUME-UHFFFAOYSA-N 375.476 3.861 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(COc3ccccc3)c2)CC1 224090293 WUXGRRAQOFVECV-UHFFFAOYSA-N 397.471 3.690 0 40 GHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)ccc21 225710728 ZZDOIDSQCBRPTM-ZDUSSCGKSA-N 388.514 3.784 0 40 GHAB COc1cc(C(F)(F)F)nc(NC(=S)NCCCc2ccc(F)cc2)n1 225969482 KTIZVYPTHXHIMW-UHFFFAOYSA-N 388.390 3.562 0 40 GHAB Cc1cc(C)n(C(=O)c2sccc2NS(=O)(=O)c2ccc(Cl)cc2)n1 96511579 ONURMHRDFPDIGE-UHFFFAOYSA-N 395.893 3.704 0 40 GHAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1nccs1)CC2 96037031 LHHLSKNNQPYICF-UHFFFAOYSA-N 393.560 3.833 0 40 GHAB CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)NCC3CCC3)N[C@H]2c2cccc(F)c2)n1 257306465 SUIXZXIKYGXMKE-GIVPXCGWSA-N 398.526 3.880 0 40 GHAB Cn1cncc1CN1CC2(CO[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C2)C1 257337279 YSCYIXVGNPTMBN-PKOBYXMFSA-N 387.911 3.824 0 40 GHAB CN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CCN(CC2CC2)CC1 257294724 QVKIOIPABKFCAR-UHFFFAOYSA-N 377.532 3.872 0 40 GHAB CO[C@H]1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@]12CCCO2 257342950 ZQSPALMKDWGTAN-JTHBVZDNSA-N 396.487 3.687 0 40 GHAB CC(C)(C)c1ccc(C[C@@]2(C)CCCN2C(=O)C[C@H]2CCS(=O)(=O)C2)cc1 618107468 WHOQUQNQAZJOMO-XMSQKQJNSA-N 391.577 3.733 0 40 GHAB Cc1cnc2c(S(=O)(=O)N(C)Cc3nc4ccccc4s3)cccc2c1 26112749 VKFXOQZCORMSND-UHFFFAOYSA-N 383.498 3.974 0 40 GHAB C[C@@]12C[C@H](c3ccccc3)N(CC3(O)CCCCCC3)[C@@H]1CCC[C@@H](O)[C@H]2O 585282854 IRPKLAJDSDQYBO-GNJRFXKQSA-N 387.564 3.799 0 40 GHAB C[C@@H]1c2cc3c(cc2CCN1S(=O)(=O)c1cccc(Cl)c1)OCCCO3 5423036 GQGASCCCPOGGQC-CYBMUJFWSA-N 393.892 3.809 0 40 GHAB COc1ccc(CC(=O)N2CCc3cc4c(cc3[C@H]2C)OCCCO4)c(OC)c1 5451148 ZFVYXYUPAGMYET-OAHLLOKOSA-N 397.471 3.554 0 40 GHAB biogenic CCOC(=O)[C@@]12CC=CCN(C(=O)c3cc(-c4cccs4)on3)[C@@H]1CCC2 12183444 DPGXSSGQBPIBSU-YLJYHZDGSA-N 386.473 3.907 0 40 GHAB COc1ccccc1C1(O)CCN(Cc2cc3ccccc3nc2N(C)C)CC1 12328282 VTTJLAIMEGERMD-UHFFFAOYSA-N 391.515 3.793 0 40 GHAB CN(Cc1cccc(F)c1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 12630936 DIPDGJOQXFNDEH-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB CCC(=O)c1ccc(OCC(=O)NC[C@H](c2ccccc2)N(CC)CC)cc1 12788179 ZWXRHCVCYUVMGS-OAQYLSRUSA-N 382.504 3.857 0 40 GHAB O=C(Cn1c2ccccc2c2ccccc21)N1CCC(O)(c2ccccn2)CC1 19376179 CAIIIBLJTVUKAN-UHFFFAOYSA-N 385.467 3.700 0 40 GHAB CNc1ncc(CN(Cc2ccc(OC)cc2)C2CC(C)(C)NC(C)(C)C2)cn1 19461005 QOVPTJBLVHPOBN-UHFFFAOYSA-N 397.567 3.838 0 40 GHAB COc1cccc([C@H](NC(=O)c2cc(C(F)(F)F)[nH]n2)c2ccccc2)c1 19564950 DEXJKKOWCDKPLF-QGZVFWFLSA-N 375.350 3.957 0 40 GHAB COc1ccc(/C=C2\C(=O)N(Cc3ccco3)SC2=S)c(OC)c1OC 1567745 HTFYXSCUWSIQDB-UKTHLTGXSA-N 391.470 3.707 0 40 GHAB CCn1nc(C)c(C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccc(C)cc32)c1C 19523718 SLHAFJXBOKWTIW-GOSISDBHSA-N 383.492 3.631 0 40 GHAB COc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 4732565 FBRJUAFFCCZQLY-UHFFFAOYSA-N 388.470 3.810 0 40 GHAB Cn1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)n1 14201078 OTBGKRGUZIKTPW-UHFFFAOYSA-N 398.426 3.725 0 40 GHAB O=C(c1cc(F)cc(F)c1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912528 NSBMOMXTZMHJLB-HXUWFJFHSA-N 379.378 3.540 0 40 GHAB O=C(CSc1ccc(NC(=O)C2CC2)nn1)Nc1ccc(C(F)(F)F)cc1 13701919 ABQHSQKVQAKMFH-UHFFFAOYSA-N 396.394 3.575 0 40 GHAB O=C(Cc1ccc(F)cc1)NC[C@@H](c1cccc2ccccc12)N1CCOCC1 23106418 WHGPEQPNPHPTJB-QHCPKHFHSA-N 392.474 3.711 0 40 GHAB Cc1ccc(N2CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1 49026118 UOOVPNHSQSDQJD-UHFFFAOYSA-N 377.366 3.895 0 40 GHAB CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCC[C@H](C)C3)c(O)n2n1 36104757 MTCLGGPTVZHYHO-GUYCJALGSA-N 386.521 3.889 0 40 GHAB COc1ccc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c(OC)c1 50049912 PISXBLFIYYSGGN-OAHLLOKOSA-N 389.521 3.799 0 40 GHAB O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCN(Cc2ccccc2F)CC1 40119731 JQXMFLVQICMDTB-UHFFFAOYSA-N 396.491 3.632 0 40 GHAB Cc1ccc([C@](O)(CCNC(=O)Cc2c[nH]c3ccccc23)C(F)(F)F)o1 31569736 WVRRLBFTPWNGPR-GOSISDBHSA-N 380.366 3.568 0 40 GHAB Cc1cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c(C)cc1Br 32601643 OJMADSMDXOKAHN-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB COc1cccc(CCC(=O)NCCc2ccc(N3CCCCC3)cc2)c1OC 32933094 GRVMXOWMBXQXAI-UHFFFAOYSA-N 396.531 3.986 0 40 GHAB COc1ccccc1CN(Cc1cccs1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102727884 OCXHHOVIMYKWIR-OALUTQOASA-N 396.512 3.668 0 40 GHAB CC(=O)c1c(C)nn(C[C@H](O)Cn2c3c(c4cc(C)ccc42)CCCC3=O)c1C 795448 XJUQIVFIWRNALO-QGZVFWFLSA-N 393.487 3.546 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 806751 SNWCGCFBJISYOK-QGZVFWFLSA-N 380.444 3.668 0 40 GHAB COc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OCc1ccc(Cl)cc1 807738 GXEOVRJANCPJDZ-YOEHRIQHSA-N 379.865 3.716 0 40 GHAB CCc1ccccc1NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 824466 ZFFZHUXPWSNXJI-UHFFFAOYSA-N 380.897 3.616 0 40 GHAB O=C(COC(=O)c1cc2cc(Br)ccc2oc1=O)c1cccs1 1106022 QAGDGTJQOKCTMR-UHFFFAOYSA-N 393.214 3.657 0 40 GHAB CCCOC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O 1911920 PAGBMDBBAANVDN-CYBMUJFWSA-N 399.472 3.533 0 40 GHAB COc1cccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)c1 2425609 FHFKQTOEJFUIPC-HNNXBMFYSA-N 391.402 3.789 0 40 GHAB COc1ccccc1CNC(=O)CCCOc1ccc(Br)cc1 2627392 AOCAAQKVQKHOBQ-UHFFFAOYSA-N 378.266 3.933 0 40 GHAB CCCCC[C@@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 2656823 KKPDJLIJVSSPQA-CQSZACIVSA-N 385.485 3.762 0 40 GHAB CCOc1ccc(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 3246755 MFNKITQOHXESEM-UHFFFAOYSA-N 384.457 3.619 0 40 GHAB COc1cc(C(=O)COC(=O)/C=C/c2ccccc2Cl)cc(OC)c1OC 3247013 USQPLWZDFXEECC-CMDGGOBGSA-N 390.819 3.805 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2cccnc2Cl)ccc1Br 3397134 NVFVLMKMRSEYNS-UHFFFAOYSA-N 383.629 3.601 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1 3472338 KUFNJXYDNYADOS-UHFFFAOYSA-N 396.896 3.631 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 3534827 GFJAMVVUXXOLMP-UHFFFAOYSA-N 377.853 3.964 0 40 GHAB CCOC(=O)[C@H](C)Sc1nnc(NC(=O)c2c(F)cccc2Cl)s1 4079378 GNWVSZZQFVVRKE-ZETCQYMHSA-N 389.861 3.627 0 40 GHAB Cc1cccc2cc([C@@H]3CC(c4ccco4)=NN3S(C)(=O)=O)c(Cl)nc12 4171882 GXOQVHOJFUXKPY-HNNXBMFYSA-N 389.864 3.900 0 40 GHAB Cc1cccc(C)c1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C1=O 4313086 ISIBQCTYOALSME-NNWRFLSQSA-N 399.450 3.750 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCCSc2nc(-c3ccccc3)c[nH]2)cc1C 4315899 SQYVUUIDZVLTIR-UHFFFAOYSA-N 394.500 3.541 0 40 GHAB CCc1ccc(-c2ccc3nnc(SCC(=O)Nc4nccs4)n3n2)cc1 4376629 RKUOYYORHPRJDV-UHFFFAOYSA-N 396.501 3.541 0 40 GHAB Cc1cccc(N2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)c1C 4748888 RHWAGDDBZQRCOX-UHFFFAOYSA-N 378.925 3.609 0 40 GHAB CC1=C(C(=O)Nc2cccc(Cl)c2C)[C@@H](c2ccc(O)cc2)NC(=S)N1 4953338 OJQVBTBUGIVUTH-QGZVFWFLSA-N 387.892 3.786 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 5794555 JZJGTEUPOBDNKN-UHFFFAOYSA-N 386.407 3.813 0 40 GHAB O=C1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c2ccccc2N1 6315149 ZRONVUSWIUYNAL-UHFFFAOYSA-N 390.770 3.506 0 40 GHAB CN(CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc(OC(F)F)cc1 6583671 KUGZLHDHXSJZSV-UHFFFAOYSA-N 384.810 3.891 0 40 GHAB Cc1cccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c1C 6876372 CFDRZUPVERYKMT-UHFFFAOYSA-N 380.400 3.842 0 40 GHAB c1ccc(-c2nnc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)o2)cc1 7089083 SEWJSQDSOILCPL-HNNXBMFYSA-N 394.412 3.924 0 40 GHAB O=C1c2ccccc2N[C@@H](c2cc(Br)c3c(c2)OCO3)N1C1CC1 7886153 HXMMUXNDZNEIGP-QGZVFWFLSA-N 387.233 3.907 0 40 GHAB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 8190744 VDVPKRQQGKEMJB-GFCCVEGCSA-N 384.505 3.663 0 40 GHAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1ccccc1)S(C)(=O)=O 8220290 PVJZDWVZVFCACO-NSHDSACASA-N 387.288 3.787 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C(=O)[C@H]2C1 8472527 CPDMQLHHJRTHAR-MOPGFXCFSA-N 378.403 3.924 0 40 GHAB CC(=O)Oc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(O)c3)cc2)cc1 9553645 QPKRPTGKALMYKM-UHFFFAOYSA-N 390.395 3.822 0 40 GHAB CCOCCCNC(=O)CSc1nc2ccccc2n1-c1ccc(OC)cc1 9966743 NHKWHGUIEVSQIN-UHFFFAOYSA-N 399.516 3.669 0 40 GHAB CCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3cccc(O)c3)=NN12 10214561 FHWRPGQWNVIRJY-FQEVSTJZSA-N 393.487 3.756 0 40 GHAB CC(C)Cc1cc(C(=O)N2CCC([C@@H]3CC(=O)c4ccccc4O3)CC2)no1 12154482 NIVXDMJGHALYLQ-NRFANRHFSA-N 382.460 3.759 0 40 GHAB O=C(NCCc1nc2ccccc2[nH]1)c1ccccc1C(=O)c1ccc(F)cc1 12525304 DMIRSQBFNNTHME-UHFFFAOYSA-N 387.414 3.906 0 40 GHAB Cc1nc2cc(C(=O)Nc3cccc(-c4nnn[nH]4)c3)ccc2n1-c1ccccc1 12604363 ZIIFCFAJQRETHV-UHFFFAOYSA-N 395.426 3.766 0 40 GHAB O=C(CCNC(=O)c1ccccc1)Nc1c(-c2ccccc2)nc2sccn12 12627461 YOATVUYFGVWMJD-UHFFFAOYSA-N 390.468 3.821 0 40 GHAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O[C@H]2CCOC2=O)cc1 12700839 FTADGZUUIHZQPW-IBGZPJMESA-N 379.412 3.635 0 40 GHAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 12792283 NUQJBZSPRDFRDJ-UHFFFAOYSA-N 386.304 3.639 0 40 GHAB O=C(CCCNC(=O)c1cccs1)Nc1cc2c(cc1Cl)OCCCO2 12927624 LKGDZVHVKCKBBZ-UHFFFAOYSA-N 394.880 3.712 0 40 GHAB C[C@@H]1C[C@H](Sc2nnc(-c3c[nH]c4ccccc34)n2Cc2ccco2)C(=O)O1 12940195 VDIUJCWMUHRSGF-PXAZEXFGSA-N 394.456 3.864 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(Br)cc1C 12993085 YMTAFUDIQUBBPG-UHFFFAOYSA-N 392.249 3.986 0 40 GHAB COc1ccc([C@H]2[C@H](C(=O)N(C)C)CCC(=O)N2c2ccc(C)cc2)cc1OC 12996523 ZNOOETVSWMZDSA-GCJKJVERSA-N 396.487 3.585 0 40 GHAB O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc(Cl)cc1Cl 13636782 AVWWFNQCHAPCCN-QGZVFWFLSA-N 393.270 3.750 0 40 GHAB COCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1 13693199 OQJMAHXUDVYQTE-UHFFFAOYSA-N 385.851 3.862 0 40 GHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2nc(-c3ccccc3)no2)C1=O 14092824 APMBWODURSWIPE-HSZRJFAPSA-N 398.422 3.857 0 40 GHAB O=C(CCNC(=O)c1ccccc1Cl)NCCCSc1ccccc1 14996803 GCZUCEQDBKGABT-UHFFFAOYSA-N 376.909 3.759 0 40 GHAB O=C(Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2)c1cnccn1 17078552 MPPDXQGXDVRLSK-UHFFFAOYSA-N 384.505 3.732 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1NC(=O)c1ccco1 18156168 LHVVHMKQRGHPKP-UHFFFAOYSA-N 378.384 3.533 0 40 GHAB CC(C)(C)c1ncc(C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)cn1 19084787 RXUVXPIDWZQELA-QGZVFWFLSA-N 376.464 3.537 0 40 GHAB CC(C)Nc1ncc(-c2ccccn2)c(C2CCN(C(=O)c3ccco3)CC2)n1 19450293 XODBWHAESXZDLI-UHFFFAOYSA-N 391.475 3.972 0 40 GHAB Cc1cc(NC(=O)C[C@@H](C)n2nc(C)c(Cl)c2C)n(Cc2ccncc2)n1 19574573 UUFBUWLUAIRDOE-CYBMUJFWSA-N 386.887 3.691 0 40 GHAB O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1 21209327 IMUJZWTWKJEIEC-UHFFFAOYSA-N 375.388 3.730 0 40 GHAB CCN1CCCc2cc(CCNC(=O)C(=O)Nc3cccc(Cl)c3C)ccc21 22732779 PTGZOVNTTPERSE-UHFFFAOYSA-N 399.922 3.718 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C4CC4)s3)CC2)c(C)c1 23140876 JYQZUZPLAAGNQP-UHFFFAOYSA-N 377.535 3.601 0 40 GHAB Cc1nc(CCNC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)cs1 24439555 FXCHIAGGHRXECY-UHFFFAOYSA-N 395.463 3.540 0 40 GHAB O=C(OCC(=O)N(C1=CCCCC1)C1CC1)c1cc(Cl)c2c(c1)OCO2 24850158 YADJKJMMYXLNNS-UHFFFAOYSA-N 377.824 3.674 0 40 GHAB Cc1cc(NC(=O)CSCC(=O)N[C@H](C)c2ccc(C(C)C)cc2)no1 29427147 IOAZCKZBPSUEQO-CQSZACIVSA-N 375.494 3.656 0 40 GHAB CCOC(=O)c1ccc(N[C@@H](C)CCN2CCN(c3cccc(C)c3)CC2)nc1 29621012 IXJYNCZAYZNKEM-IBGZPJMESA-N 396.535 3.579 0 40 GHAB CC[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)CCO1 30762726 AEMWKJWVBQAVEY-GOSISDBHSA-N 391.471 3.799 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1ccccc1OCC(C)C)CC(O)=N2 31819603 ODNMZHUGUYCHMJ-OAHLLOKOSA-N 393.447 3.835 0 40 GHAB O=C(Nc1cc(F)ccc1F)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32796237 HAGXULLRNDJKKS-SNVBAGLBSA-N 395.203 3.719 0 40 GHAB Cc1cc(C)n(CCCNC(=O)COc2ccc3oc4c(c3c2)CCCC4)n1 32999744 NYQJYZSHIYNIMQ-UHFFFAOYSA-N 381.476 3.710 0 40 GHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Br)cc2)N1 35183144 UUKPOUWUKZFGJZ-DLBZAZTESA-N 385.261 3.707 0 40 GHAB COc1cccc(-c2cc(COC(=O)c3ccc(Cn4ccnc4)cc3)no2)c1 38766245 IZPDUCRXOKOAEW-UHFFFAOYSA-N 389.411 3.952 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc3c(c2)OCCO3)cc1 39551358 HMEORWIAOKHEJP-UHFFFAOYSA-N 387.435 3.927 0 40 GHAB Cc1c(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)oc2c(F)cccc12 39983787 SLYGUAGNUJLETB-UHFFFAOYSA-N 386.766 3.899 0 40 GHAB Cc1cc(C)n2ncc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)c2n1 40068902 UFVYNXMUKAJWRK-OAHLLOKOSA-N 391.500 3.976 0 40 GHAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2cc(Cl)cc(Cl)c2)c1 40096660 OTBHDLMBTKGGHI-OAHLLOKOSA-N 385.247 3.866 0 40 GHAB COc1ccccc1N1CCN(c2ncnc3cc(Br)ccc23)CC1 40267854 BDGXYUGYZJKGDA-UHFFFAOYSA-N 399.292 3.728 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccnc2)cc1 40617552 SCJQAVCMLTXCIX-UHFFFAOYSA-N 387.439 3.936 0 40 GHAB Cc1ccc(-c2cnn([C@@H](C)C(=O)Nc3c(C)cccc3Cl)c(=O)n2)cc1 44804045 BARKHCXKOOBUHZ-AWEZNQCLSA-N 382.851 3.775 0 40 GHAB C[C@@H](c1cccs1)N(C)C(=O)c1cn(-c2cccc(Br)c2)nn1 46322148 HMTXKEBAQHKNTP-NSHDSACASA-N 391.294 3.925 0 40 GHAB COc1ccc(OCc2noc(CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 49027143 MAIXJENHTZEMCF-UHFFFAOYSA-N 395.459 3.885 0 40 GHAB CCCOCc1ccccc1CNc1cc(C)nc2nc(C(F)(F)F)nn12 52428712 DJDUZSYZMUMVRP-UHFFFAOYSA-N 379.386 3.990 0 40 GHAB CCCCOC(=O)c1ccc(-n2nc3ccc(N)c(Br)c3n2)cc1 57353837 JMYXYHGDPKEUGK-UHFFFAOYSA-N 389.253 3.722 0 40 GHAB Cc1ccc(-c2ccsc2C(=O)NCc2cccnc2-n2cncn2)cc1 58201990 FZQFHGKDVLGPJC-UHFFFAOYSA-N 375.457 3.629 0 40 GHAB C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@H]1COc2ccccc2O1 59967446 OJQRTCMFNDTXJN-FZKQIMNGSA-N 390.277 3.726 0 40 GHAB CC(C)c1nn(-c2ccccc2)cc1CNCCCCN1C[C@H](C)O[C@@H](C)C1 62253211 SBTHFGATVMPKFR-PMACEKPBSA-N 384.568 3.975 0 40 GHAB Cc1ccccc1OCCCN1CCC(NC(=O)CCc2ccccc2)CC1 65534463 OYTCKJBYZDLJNP-UHFFFAOYSA-N 380.532 3.977 0 40 GHAB Cc1ccc(C(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)c(C)c1 67206978 GKENQGBEULEQQR-UHFFFAOYSA-N 392.846 3.711 0 40 GHAB O=C(Nc1ccsc1C(=O)NCc1ccc(F)c(Cl)c1)c1cnccn1 67335563 FISHEWYBYNKNPP-UHFFFAOYSA-N 390.827 3.513 0 40 GHAB CCOc1c(Br)cc(C(=O)Nc2ccc3[nH]ncc3c2)cc1OC 70038371 QHVICGMUFDVIIN-UHFFFAOYSA-N 390.237 3.985 0 40 GHAB COc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3coc(C)n3)C2)cc1 72363252 WAPMIKIZOZDPKT-HNNXBMFYSA-N 394.431 3.594 0 40 GHAB COc1ccccc1CN1CCC[C@@H]([C@H]2CN(C(C)=O)Cc3ccccc3O2)C1 72373014 VQOWNOUTBHBUHD-HYBUGGRVSA-N 394.515 3.717 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)cc1 77184151 YXNUZCIXSYAIAU-DEOSSOPVSA-N 389.451 3.778 0 40 GHAB O=C(CSc1nnnn1CC(F)(F)F)c1ccc2c(c1)-c1ccccc1C2 84576853 GNZMSALNZDYLPM-UHFFFAOYSA-N 390.390 3.782 0 40 GHAB O=C([C@H]1C[C@H]1c1cccc(F)c1)N1CCN(Cc2ccc(Cl)s2)CC1 89774933 AENGTHJNJZCLRO-IRXDYDNUSA-N 378.900 3.989 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 90504291 IJISPOPHEUBSHP-MRXNPFEDSA-N 391.471 3.595 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96102819 QPRIQKIWOISQHG-UHFFFAOYSA-N 398.444 3.938 0 40 GHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(S(=O)(=O)c2ccccc2)CC1 96121819 OZZUMTNKCLWTAV-UHFFFAOYSA-N 397.418 3.784 0 40 GHAB CCOc1ccc(N[C@@H]2CC(=O)N(c3ccccc3Br)C2=O)cc1 101276922 LNQRJETWTIXVHU-OAHLLOKOSA-N 389.249 3.592 0 40 GHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCc1ccc(CN2CCCC2)cc1 102408226 OXHFUYLXQAWENR-WXYTXABISA-N 382.548 3.620 0 40 GHAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 103456706 SUPVLEYLMAUXMM-SGMGOOAPSA-N 387.833 3.839 0 40 GHAB COc1ccc(CC(=O)N(CCc2cccs2)C2CCOCC2)cc1OC 206675603 NYADFTHLDDFSKX-UHFFFAOYSA-N 389.517 3.558 0 40 GHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(CN2CCOCC2)c1 219246756 ZDHHACKJLXFTFK-OAQYLSRUSA-N 394.515 3.859 0 40 GHAB CC[C@@H](Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 219584971 UEHFFLDMDBYIJB-QGZVFWFLSA-N 399.422 3.700 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1F 222439373 DQPMKIJNYAGMTK-INIZCTEOSA-N 388.508 3.531 0 40 GHAB CC1=NS(=O)(=O)c2cc(C(=O)NCc3ccc(C)cc3)ccc2N1CC(C)C 223119164 FREJNKUOBIFMQR-UHFFFAOYSA-N 399.516 3.508 0 40 GHAB Cc1ccc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223124683 BWTUPMACJQTSLU-IBGZPJMESA-N 380.532 3.912 0 40 GHAB CCCC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)N[C@@H](C)CC 223198411 ONCXSWDMGQUJLW-KBPBESRZSA-N 383.330 3.881 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225183351 DMTKVVJMBACRKF-UHFFFAOYSA-N 380.466 3.892 0 40 GHAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)C1(c2cccs2)CCCC1 225570643 VSOKYTCHLQFFOW-QGZVFWFLSA-N 378.607 3.894 0 40 GHAB Cc1ccc(OCCN2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)cc1 257242218 IBOLDSUKGJQWKD-JOCHJYFZSA-N 390.487 3.981 0 40 GHAB Cc1cc(-c2c(C)noc2C)nc([C@@H]2CCCCN2C(=O)c2cccnc2)n1 257320523 VXERIDLRYVIYKQ-SFHVURJKSA-N 377.448 3.819 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 260593229 ZLJCXEDONXABKO-MSOLQXFVSA-N 388.533 3.644 0 40 GHAB CC(C)C[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 260767569 NNWXKBIMRNATQA-UXHICEINSA-N 388.533 3.523 0 40 GHAB O=C(Cc1cccs1)N1CCC[C@]2(CC1)CN(Cc1cccs1)CCO2 306128128 GQVUPCUNRYYQSB-FQEVSTJZSA-N 390.574 3.636 0 40 GHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)o2)c1 408526872 DHHPSYPCKZBWLQ-UHFFFAOYSA-N 383.429 3.644 0 40 GHAB COc1ccc(OCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)cc1 408575916 XAKVHVURWRUVHY-UHFFFAOYSA-N 392.455 3.534 0 40 GHAB CC[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 409000698 FMQDWPXTUBZICI-YWZLYKJASA-N 379.460 3.782 0 40 GHAB CCc1cccc2c(/C=C3\SC(=O)NC3=O)cn(CC(=O)NC3CCCC3)c12 409136662 YEKINPCAUJEVNC-YVLHZVERSA-N 397.500 3.586 0 40 GHAB Cc1ccc(Cl)cc1C(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 511511370 IALLBPIZTYDREJ-UHFFFAOYSA-N 385.895 3.658 0 40 GHAB COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc(C)nn3)CC2)n1 516630441 LHOWNIKDIBUZCE-UHFFFAOYSA-N 394.500 3.937 0 40 GHAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2cc4ccccc4[nH]2)C3)n1 575402337 AVBLBNZYYZAGFM-SFHVURJKSA-N 393.512 3.788 0 40 GHAB COc1cccc2cc(C(=O)N3CCC[C@H](Oc4ncc(Cl)cn4)C3)oc12 575611952 HIZAIAJXNIMCPD-AWEZNQCLSA-N 387.823 3.568 0 40 GHAB CCn1nc(C)c(CC(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)c1C 585085833 BIESTHXCHPJVAR-HXUWFJFHSA-N 377.492 3.823 0 40 GHAB O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 585108320 JAXWFZSSAOOVLW-LVCYWYKZSA-N 394.437 3.543 0 40 GHAB O=C(c1cccc2ccccc12)N1CC[C@@H](Oc2ncc(Br)cn2)C1 585147135 MIJNMNGRCHJRAT-OAHLLOKOSA-N 398.260 3.686 0 40 GHAB COC(=O)[C@H]1CN(C(=O)Nc2ccc(-c3ncco3)cc2)Cc2ccccc21 1215942010 KZXBSCFSIYFYBC-SFHVURJKSA-N 377.400 3.646 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)c2ccc(F)cn2)cc1 1525744238 RDUWTOZNGHDUOV-UHFFFAOYSA-N 388.402 3.505 0 40 GHAB COc1cc(C)ccc1CN1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615119494 INYUMBFFZNPWNZ-UHFFFAOYSA-N 398.478 3.541 0 40 GHAB Cc1ccc2c(c1)C(=O)NCC1(CCC(N(C)Cc3scnc3C)CC1)O2 1615124098 UXFLMSQEQVQFLT-UHFFFAOYSA-N 385.533 3.696 0 40 GHAB CN1CCC[C@H](CCNC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)C1 1675878053 UCGFDMMXMGATPV-QGZVFWFLSA-N 377.492 3.879 0 40 GHAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1OC(C)C 661884 VRCPAXMLGMOBEY-LICLKQGHSA-N 384.407 3.714 0 40 GHAB C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 804746 XUHLCMHUHVCOBZ-KRWDZBQOSA-N 386.517 3.994 0 40 GHAB CCOC(=O)CSc1nnc(-c2ccc(OC)cc2)n1Cc1ccccc1 874175 RWNCHDWXPXMQKN-UHFFFAOYSA-N 383.473 3.657 0 40 GHAB COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 1245850 TWBFHRAXCBRZBD-UHFFFAOYSA-N 386.498 3.509 0 40 GHAB CC(C)NC(=O)CSc1nnc(Cc2ccccc2)n1CCc1ccccc1 1355725 ITQBTMOAHVTTEZ-UHFFFAOYSA-N 394.544 3.728 0 40 GHAB CCOC(=O)[C@@]1(C(F)(F)F)N=C2C=CC(Cl)=CN2C(c2ccccc2)=N1 2050141 IGIKUIHHIQEDKJ-MRXNPFEDSA-N 383.757 3.619 0 40 GHAB Cc1c(NC(=S)N2c3ccccc3C[C@@H]2C)c(=O)n(-c2ccccc2)n1C 3378718 NABUXKIIHPXUPJ-AWEZNQCLSA-N 378.501 3.632 0 40 GHAB Fc1ccc(Cn2nnnc2[C@@H](c2ccc3ncccc3c2)N2CCCC2)cc1 4230577 CZJZCVQNVAPXQT-OAQYLSRUSA-N 388.450 3.594 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(N2CCCCC2)cc1 4843808 DFAZFHSZILBLCL-UHFFFAOYSA-N 395.488 3.853 0 40 GHAB CCc1ccc(CN(C(=O)c2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 5176030 HHCFFJYZCUGNHX-QGZVFWFLSA-N 391.920 3.732 0 40 GHAB C[C@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccc(Cl)cc1 5563448 TXPVFGCETHZNLK-LBPRGKRZSA-N 381.819 3.674 0 40 GHAB CC1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3)cc2)CC1 6515698 IEQOWZIMTPLSKA-UHFFFAOYSA-N 383.517 3.815 0 40 GHAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cc2ccccc2oc1=O 7447719 LTPQLADMHYWXMF-UHFFFAOYSA-N 376.456 3.709 0 40 GHAB COc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1OC 7594377 UCLFWBKDNCMSOQ-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB O=S1(=O)N=C(N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc21 7735866 WLGPAVSZNLIBBS-ZDUSSCGKSA-N 383.498 3.625 0 40 GHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1nnc(SCc2ccccc2)s1 7781368 HJKRSZMPOJAZDA-UHFFFAOYSA-N 399.497 3.783 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC1CCCCC1 7918488 VTDVTWROJFCPQG-UHFFFAOYSA-N 390.480 3.997 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 7928123 DAIIGOVGDANNAJ-CYBMUJFWSA-N 388.851 3.657 0 40 GHAB CN(CCCC(=O)Nc1cccc2ccccc12)S(=O)(=O)c1cccs1 8751971 VONYRXXXTSGAQG-UHFFFAOYSA-N 388.514 3.941 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(-n3cccn3)cc2)c1 9386024 OPXRMBGMVHIDPS-FQEVSTJZSA-N 377.444 3.867 0 40 GHAB O=C(c1cccc(F)c1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 10045261 ONRGQSGWZAGORX-UHFFFAOYSA-N 387.414 3.905 0 40 GHAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 10324152 FHJRSQBESCESFX-NSHDSACASA-N 378.881 3.611 0 40 GHAB NC(=O)c1cc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)ccc1O 11180952 MMWZUUGJFVIHBB-UHFFFAOYSA-N 379.441 3.630 0 40 GHAB COc1ccccc1CNC(=O)CSc1nnc(NC2CCCCC2)s1 11293179 JAWVBKALYHRUIH-UHFFFAOYSA-N 392.550 3.700 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 12129522 HFVXQTVNTIEOOB-KRWDZBQOSA-N 397.475 3.517 0 40 GHAB CN(C)CCn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21 12240547 QWAXVVFXKPJNRJ-UHFFFAOYSA-N 395.522 3.826 0 40 GHAB O=C(c1ccccc1F)N1CCCc2cc([C@@H](O)CN3CCCCC3)ccc21 12291301 UQWPJYVPOSYWJO-QFIPXVFZSA-N 382.479 3.938 0 40 GHAB Cc1ccc(-c2nc(NC(=O)Cn3cnnn3)sc2-c2ccc(C)cc2)cc1 12813787 FYCWPQINUHWFJU-UHFFFAOYSA-N 390.472 3.719 0 40 GHAB Cc1c(CC(=O)N[C@H](C)Cc2c[nH]c3ccccc23)c(=O)oc2cc(O)ccc12 12896470 ZULVJHHMIHWHAK-CYBMUJFWSA-N 390.439 3.578 0 40 GHAB biogenic C[C@@H](NC(=O)Cn1c(S)nnc1-c1cccs1)c1cccc(Cl)c1 12899363 VYUUFDMCKKHOII-SNVBAGLBSA-N 378.910 3.826 0 40 GHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1cccs1 12979939 BXTSQTYWLZXMSL-MRXNPFEDSA-N 396.965 3.912 0 40 GHAB COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1cccs1)C3 13610840 UXDDDUHLQOCXDV-CQSZACIVSA-N 390.468 3.912 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)c(OC)c1 13695456 DMJIEHRHBJVWKV-UHFFFAOYSA-N 392.411 3.752 0 40 GHAB CN(Cc1nnc2n1CCCCC2)C(=O)c1cc2c(s1)-c1ccccc1OC2 14093471 KYHQQFWPDOXMNQ-UHFFFAOYSA-N 394.500 3.898 0 40 GHAB CC[C@H](C(=O)NCc1ccccc1)N(C)Cc1ccc(Br)cc1 14124075 PMLWUNCPERPGAA-GOSISDBHSA-N 375.310 3.976 0 40 GHAB Cc1ccc([C@@H](NC(=O)Cn2cnc3ccccc3c2=O)c2ccccc2)cc1C 14596811 VNYSSOKPGWUPAV-DEOSSOPVSA-N 397.478 3.919 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)SCc2cc(=O)n3c(C)csc3n2)cc1F 15493524 KRTJUYMVAZPQTL-LBPRGKRZSA-N 391.493 3.772 0 40 GHAB Cc1ccc2nc(NC(=O)c3ccc(=O)n(Cc4ccc(F)cc4)n3)sc2c1 16848238 FPMRXEKDRZDLDD-UHFFFAOYSA-N 394.431 3.601 0 40 GHAB CS(=O)(=O)c1ccc(-c2ccc(NC(=O)CCCc3ccccc3)cc2)nn1 16975126 VKHNTGJOVIZOQF-UHFFFAOYSA-N 395.484 3.509 0 40 GHAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@](O)(c2ccc(F)cc2)CC1 19332939 HONBKJKKGXVSTJ-CTNGQTDRSA-N 389.854 3.683 0 40 GHAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)c3csc(C(C)C)c3)ncc2C1 19452176 IWLPLDZCWXSNFQ-GOSISDBHSA-N 398.532 3.543 0 40 GHAB Cc1nn(C[C@H](C)C(=O)N2CCC[C@H](COc3ccccc3F)C2)c(C)c1C 19556726 KDMJWJZFLWJHOJ-KXBFYZLASA-N 387.499 3.901 0 40 GHAB COCCNC(=O)c1cc([C@@H]2CCCN(Cc3cccc4ccccc34)C2)no1 19593547 MWUYBMDKSSXSKZ-LJQANCHMSA-N 393.487 3.584 0 40 GHAB O=C(N[C@@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 19799968 WNICOZKZQYTYHJ-WCQYABFASA-N 386.106 3.535 0 40 GHAB COc1ccccc1N1CCN(Cc2ccc(C(=O)NC3CCCC3)cc2)CC1 20241830 DGFWPRJMJXDGRA-UHFFFAOYSA-N 393.531 3.690 0 40 GHAB Cc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)c2c1 21123131 LQZPQELOMSFSDW-LJQANCHMSA-N 381.863 3.594 0 40 GHAB Cc1cc(C(=O)COC(=O)c2cc(Cl)c3c(c2)OCO3)c(C)n1C1CC1 21461444 OEZGDFGOUNJCOA-UHFFFAOYSA-N 375.808 3.862 0 40 GHAB C[C@@H](NC(=O)CN1CCN(Cc2cccc3ccccc23)CC1)c1cccs1 22803536 KBOCUFFRUBPLAI-GOSISDBHSA-N 393.556 3.896 0 40 GHAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 22870628 NNLCUWXSTGBFRV-IFMALSPDSA-N 382.548 3.758 0 40 GHAB Cc1nc(C)c2c(C)c(C(=O)NCCCN3CCc4ccccc43)sc2n1 29523348 XKYBJKHIVWERQZ-UHFFFAOYSA-N 380.517 3.799 0 40 GHAB Cc1ccc(-c2cnn([C@@H](C)C(=O)Nc3cccc4ccccc34)c(=O)n2)cc1 33324614 USPXXYWAYPDKPY-INIZCTEOSA-N 384.439 3.967 0 40 GHAB NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2CC1CCCCC1 34034553 XQHXEBCEJGFYFD-UHFFFAOYSA-N 380.444 3.937 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(C)=O)cc2)cc1 35289575 ITVDPOOPMBHUPU-LJQANCHMSA-N 381.432 3.533 0 40 GHAB CCOc1ccccc1N1C(=O)C[C@@H](Nc2ccccc2Br)C1=O 36635686 RNCSSZNQDJPEHC-CQSZACIVSA-N 389.249 3.592 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2nc3ccccc3[nH]2)CC1 38554789 GFSNXYLOCNEDFH-UHFFFAOYSA-N 389.381 3.936 0 40 GHAB COc1ccccc1NC(=O)Cc1noc(CN[C@@H](c2ccccc2)C(C)C)n1 39992560 RNTJZHWPEFQTNA-JOCHJYFZSA-N 394.475 3.746 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H](c2nnc3ccccn23)C1 40011923 YPSOUWLXUMVVEX-GOSISDBHSA-N 387.487 3.940 0 40 GHAB O=C1COc2cc(NC(=O)c3ccc(Br)cc3)c(Cl)cc2N1 40081540 XGRIBUSLHPTCIS-UHFFFAOYSA-N 381.613 3.686 0 40 GHAB CC(C)c1cc2c(=O)[nH]c(CSCC(=O)Nc3ccc(O)cc3)nc2s1 40287685 CJLSQVMITGXVSB-UHFFFAOYSA-N 389.502 3.686 0 40 GHAB COc1cc(C(=O)NCCn2ccc3ccc(Cl)cc32)cc(OC)c1OC 40819764 HJTWSZMJAHPRDF-UHFFFAOYSA-N 388.851 3.751 0 40 GHAB COc1ccc(C)cc1NC(=O)CNC(=O)Nc1ccc(OC(F)(F)F)cc1 43192815 AKAKNRWXPYINGX-UHFFFAOYSA-N 397.353 3.662 0 40 GHAB O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@H]1CCCN1C(=O)C1CCCCC1 48226601 QIRVKJYYNDUJHP-OAHLLOKOSA-N 399.413 3.533 0 40 GHAB C[C@H]1CN(c2ccc(NC(=O)N3CCn4cccc4[C@@H]3C)cc2F)C[C@@H](C)O1 48539012 LIOPKQMFONBTOT-XHSDSOJGSA-N 386.471 3.850 0 40 GHAB COc1ccc(CCNC(=O)N2CCC[C@H](COCc3ccccc3)C2)cc1 49031762 ZLSYONGOXXUSEE-NRFANRHFSA-N 382.504 3.876 0 40 GHAB CN1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC1 52585349 ISLZJANLZCIVBU-UHFFFAOYSA-N 378.303 3.993 0 40 GHAB Cc1nc(C)c2c(C)c(C(=O)N[C@H](C)c3ccc4c(c3)CCC(=O)N4)sc2n1 53801971 UZFAFIJUQKRXDR-LLVKDONJSA-N 394.500 3.992 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)cc1 57452174 OIUGKDHCZVGRGH-JKSUJKDBSA-N 387.911 3.785 0 40 GHAB COc1ccc(C2(C(=O)OCc3cn4c(C)cc(C)nc4n3)CCCC2)cc1 60490770 JNLBBGSJBOWFIF-UHFFFAOYSA-N 379.460 3.910 0 40 GHAB COC(=O)CCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1 62580433 JFZUZDMHVICLQB-UHFFFAOYSA-N 381.432 3.514 0 40 GHAB CCN(CCC(F)(F)F)C(=O)c1nnn(-c2ccc3ncccc3c2)c1C 66768870 UEQOTKOPMAITAY-UHFFFAOYSA-N 377.370 3.538 0 40 GHAB Cn1cc(-c2ccc(Cl)cc2)c2ncn(CC(=O)Nc3ccccc3)c(=O)c21 67235771 LVRQRCSOHKWNGL-UHFFFAOYSA-N 392.846 3.694 0 40 GHAB C[C@H]1CCc2c(sc3ncn(Cc4noc(Cc5ccccc5)n4)c(=O)c23)C1 68042403 NPSVVLPZNGQVKJ-ZDUSSCGKSA-N 392.484 3.605 0 40 GHAB CCOC[C@@H]1CCCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C1 70929981 OLODTXFCFXVFAK-CQSZACIVSA-N 398.425 3.721 0 40 GHAB Cc1n[nH]cc1C(=O)N1CCC(c2nccnc2Oc2ccc(Cl)cc2)CC1 72362538 OZTQTVBFJUZAOV-UHFFFAOYSA-N 397.866 3.974 0 40 GHAB COc1cc(COCC2CCN(C(=O)c3cccs3)CC2)cc(OC)c1 77099670 LAHRLCKCDBHJEG-UHFFFAOYSA-N 375.490 3.834 0 40 GHAB Cn1cc([C@@H]2SCC(O)=Nc3c2cnn3-c2cc(F)ccc2Cl)cn1 79502161 VRGHLCIKXJIDCA-HNNXBMFYSA-N 377.832 3.823 0 40 GHAB COC(=O)c1csc(NC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)c1 83925541 HSHOXNCXBQBBCE-HNNXBMFYSA-N 390.461 3.921 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1Cc1nnc(C2CC2)o1 89662114 LRGIYYNINPPMOC-JKSUJKDBSA-N 376.501 3.701 0 40 GHAB CO[C@H]1CCN(c2ccc(NC(=O)Cn3cc(-c4ccc(F)cc4)cn3)cc2)C1 96122266 RQQJHWIZKQSBSQ-NRFANRHFSA-N 394.450 3.553 0 40 GHAB COc1ccc(CNC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)cc1 96192111 FBASASVABLCLSZ-UHFFFAOYSA-N 382.508 3.919 0 40 GHAB O=C(COc1ccc(-c2ccccc2)cc1)NC1CCN(c2nccs2)CC1 96383764 RFRHHEKPGYQXSW-UHFFFAOYSA-N 393.512 3.974 0 40 GHAB COc1ccc(C2=NO[C@H](C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)C2)cc1OC 101435155 YLYXNLWJZSDRHL-WQFQCULDSA-N 386.492 3.624 0 40 GHAB O=C1[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 102897777 TYPSJEUQZVJDSR-DZGCQCFKSA-N 395.629 3.939 0 40 GHAB COc1ccc(-c2noc(CCC(=O)NCCC3=CCCCC3)n2)cc1OC 138429709 BLICBHMBGDBOBZ-UHFFFAOYSA-N 385.464 3.693 0 40 GHAB COc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCCC2)cc1OC 199431254 SEUBFBFHERQGFD-OAQYLSRUSA-N 394.515 3.643 0 40 GHAB CC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 217475421 XEAFOHNBYGRISO-KGLIPLIRSA-N 376.478 3.635 0 40 GHAB NC(=S)[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 218651035 YQDFYVJNPRGXMG-KKUMJFAQSA-N 386.325 3.835 0 40 GHAB Cc1cc(C)c(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c(C)c1 220475138 FGZHIFZEBDWASF-HNNXBMFYSA-N 378.469 3.544 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 222853408 UATKZIOIOOJBPJ-JOCHJYFZSA-N 396.531 3.960 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 223107132 SWELOQGVMSABTJ-GOSISDBHSA-N 390.936 3.986 0 40 GHAB CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 223344509 JEHCEIRYHZCLKB-GMAHTHKFSA-N 394.515 3.852 0 40 GHAB COC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1C 223663116 WQTSEWRAULZMJY-UHFFFAOYSA-N 389.473 3.686 0 40 GHAB COC(=O)CSc1nnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 224982756 DOTKOVRHHSHHDQ-UHFFFAOYSA-N 399.497 3.651 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 225245085 GLEVMXPZGSUDLD-JKSUJKDBSA-N 388.458 3.839 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 225600350 LTEHJZBGMWAMQV-UHFFFAOYSA-N 395.843 3.658 0 40 GHAB CCN1CCN(c2ccc(N)cc2NC(=O)c2cccc(Cl)c2Cl)CC1 226259384 IGRRGBPYNMVMNN-UHFFFAOYSA-N 393.318 3.970 0 40 GHAB O=C(c1cccc(Cl)c1)N1CC[C@@H](Oc2ncccc2Br)C1 238934007 VIBWZRDREPOMFP-CYBMUJFWSA-N 381.657 3.791 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1OC 243106337 JDZLGKBRAQIOFU-UHFFFAOYSA-N 382.460 3.503 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc(F)c1 253454995 OJYPJTZOAHDODJ-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB C[C@@]12CCCN(CC(=O)Nc3ccc(Oc4cccnc4)cc3)[C@H]1CCCCN2 257256127 KKERGHYWOPTINF-JTHBVZDNSA-N 394.519 3.809 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)CC 408698250 OFPOSCPQHGVIDP-UHFFFAOYSA-N 382.869 3.888 0 40 GHAB Cn1nccc1[C@H]1C[C@@H](Nc2ncc3scc(Br)c3n2)CCO1 566483054 SSJWJGQUGPAMQQ-JOYOIKCWSA-N 394.298 3.520 0 40 GHAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@@H](Oc2ccncc2Cl)C1 575611149 ARODNVJZHBWVJM-MRXNPFEDSA-N 396.878 3.819 0 40 GHAB O=C(NCC1(Cc2ccccc2)CCCCC1)[C@H]1CCCN1c1ncccn1 613818911 HCNXCHSDZVNSOQ-HXUWFJFHSA-N 378.520 3.755 0 40 GHAB C[C@H]1CN(C(=O)NCc2cccc(COC[C@H]3CCCO3)c2)C[C@@H](C)C1(F)F 624394270 ZLXVQCBLBDQLKH-JTDSTZFVSA-N 396.478 3.815 0 40 GHAB C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1Cc1ncccc1C(=O)O 629378411 SCIHCHFEKPRVSD-OCCSQVGLSA-N 375.266 3.920 0 40 GHAB CC(C)CN1CCCNCc2cc(F)ccc2N(C(=O)c2cccnc2)CCC1 643572677 MXAODLJDSVYYOQ-UHFFFAOYSA-N 398.526 3.709 0 40 GHAB CO[C@@H](CN1CCC(C(=O)Nc2ccccc2Br)CC1)C1CCC1 660060195 VIRCRSRHJMIKOQ-SFHVURJKSA-N 395.341 3.915 0 40 GHAB Cc1cc(NC(=O)N[C@@H]2CCO[C@H]2c2cnn(C(C)C)c2)nn1-c1ccccc1 666542579 XKHBLWPWTVBSNB-QUCCMNQESA-N 394.479 3.610 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1ccc(-c2cccs2)o1 1775966866 IUOHYDVBLTUAHD-ZDUSSCGKSA-N 397.905 3.982 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)c1cc2ccccc2oc1=O 1889073848 BTJWMIFOUARMEH-AWEZNQCLSA-N 381.409 3.578 0 40 GHAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)nc1 1889149397 KKERSEOGYNCHOL-AWEZNQCLSA-N 378.398 3.545 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccccc1O 675710 USFDFJYVKUJNHN-VIFPVBQESA-N 385.272 3.980 0 40 GHAB Nc1c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc2n1C1CCCC1 2411143 LUGXLENKQAFZDC-CQSZACIVSA-N 380.448 3.618 0 40 GHAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCCC(C)(C)C1 2448401 WYRRZMBSZRKNEN-UHFFFAOYSA-N 377.872 3.668 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1cc2c(=O)n3ccccc3nc2s1 2722877 JAEBCGPCIGHTRA-UHFFFAOYSA-N 385.832 3.824 0 40 GHAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2)c1ccccc1Cl 4106031 WJFYFAVYJMMIJF-AREMUKBSSA-N 389.839 3.679 0 40 GHAB CCCn1c(SCC(=O)OCC(=O)c2ccc(OC)cc2)nc2ccccc21 4221179 JYTOBWAOUVNLPR-UHFFFAOYSA-N 398.484 3.973 0 40 GHAB Cc1cccc(NC(=O)c2c(NC(=O)CNCC(C)C)sc3c2CCC3)c1 4554484 MZEGVLDNQBZAAI-UHFFFAOYSA-N 385.533 3.982 0 40 GHAB CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 4722703 QHRYYIWWVCYYGL-UAFMIMERSA-N 378.497 3.733 0 40 GHAB COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCN(C)CC2)c1 4812429 DJJSHJVVVOQEAO-FQEVSTJZSA-N 393.487 3.669 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccoc1C 4860594 ZEBADSJRBXNTJA-UHFFFAOYSA-N 384.461 3.800 0 40 GHAB Cc1ccc(C[C@@H](CC(=O)Nc2nccs2)C(=O)Nc2nccs2)cc1 5000407 FZQDIKQCWDXUHJ-AWEZNQCLSA-N 386.502 3.734 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(Cl)ccc2C)c(C)c1 5415065 ZVTHJEPHMYOIAJ-UHFFFAOYSA-N 387.896 3.972 0 40 GHAB CCOC(=O)C(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CCCC2 5457376 GHLGEXLCGOBQIF-UHFFFAOYSA-N 386.473 3.689 0 40 GHAB CC(C)COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 5844243 WFHXRNIWDCNXOD-GIJQJNRQSA-N 378.428 3.673 0 40 GHAB CCc1ccc(C(=O)c2cnc3ccc(OC)cc3c2N2CCN(C)CC2)cc1 6006645 ZQYZYFPOLFVBBM-UHFFFAOYSA-N 389.499 3.789 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2ccc3ccccc3n2)n(-c2ccccc2)n1 6122808 CEXDEZUBVHQCEH-UHFFFAOYSA-N 386.411 3.524 0 40 GHAB O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1CCCO 6366413 GPVRJEHWVCDNPI-UHFFFAOYSA-N 378.856 3.864 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1nccnc1-c1nc2ccccc2s1 6758943 YHRLWQGZNNPLFB-UHFFFAOYSA-N 376.397 3.734 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(C)c1)S2 6811783 AUXPRCTVVNDCKY-ROUUACIJSA-N 379.489 3.547 0 40 GHAB COc1cc([C@H]2NC(SC)=NC(C)=C2C(=O)Nc2ccccc2)ccc1O 6849216 BSRGOBJSCRVISA-GOSISDBHSA-N 383.473 3.677 0 40 GHAB COc1ccc(-n2nnc(-c3nc(-c4ccc(C)cc4)no3)c2N)cc1Cl 6868184 BCYQVYSFMGZJNS-UHFFFAOYSA-N 382.811 3.537 0 40 GHAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2cccc3ncccc23)CC1=O 6880376 UYJVEVLUMHDGMB-OAHLLOKOSA-N 375.428 3.543 0 40 GHAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 7215357 BPEORJZLHHOLMT-UHFFFAOYSA-N 389.395 3.805 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 7495528 QRJCHWIISZIMMZ-KRWDZBQOSA-N 389.455 3.726 0 40 GHAB COc1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 7766584 WCYDTJXXCYCJOK-UHFFFAOYSA-N 397.452 3.740 0 40 GHAB CCCCOc1ccc(CN2C(=O)[C@H](NC(C)=O)c3cc(C)ccc32)cc1OC 8047475 IXDZVQGIEAYLGD-JOCHJYFZSA-N 396.487 3.907 0 40 GHAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 8076337 CVFZOCLVPHGQKD-UHFFFAOYSA-N 387.443 3.737 0 40 GHAB CC(C)C(NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O)C(C)C 8496720 OVNIPAWXXYYWOJ-UHFFFAOYSA-N 388.961 3.683 0 40 GHAB Cc1ccc(-c2nnc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)o2)cc1 8704438 FKTGLONFMUPNDJ-GOSISDBHSA-N 395.484 3.737 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 8709113 PFRZETVOXJDHMJ-FOIQADDNSA-N 393.487 3.818 0 40 GHAB CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 8772970 DOBAFPCUPZRPOE-UHFFFAOYSA-N 378.428 3.504 0 40 GHAB CC(C)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1 9116004 IMXYEQMSELBYBO-IBGZPJMESA-N 387.480 3.751 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)c(C)c1 9237865 QXVLGDFOWSQLOJ-ZWKOTPCHSA-N 379.489 3.601 0 40 GHAB COc1ccc(-c2cc(-c3nn4c(-c5cccs5)nnc4s3)[nH]n2)cc1 9421386 XCHBADKFFLHDIS-UHFFFAOYSA-N 380.458 3.980 0 40 GHAB CCCNC(=O)CN(C)C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 10467398 NXLSAWWAUHOKIZ-QGZVFWFLSA-N 398.532 3.529 0 40 GHAB C[C@H]1CCc2c(sc3ncn(C4CCN(C(=O)c5ccco5)CC4)c(=O)c23)C1 12145476 HIMWACGOLUAVQJ-ZDUSSCGKSA-N 397.500 3.653 0 40 GHAB O=C(C1CCCCC1)N1CCC(Cn2nc(-c3cccs3)ccc2=O)CC1 12158115 UHPFLPZQHJLLRS-UHFFFAOYSA-N 385.533 3.791 0 40 GHAB COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4ccc(OC)c(C)c4)[C@H]3C2)cc1 12188433 CCGNHXLHSWQKIP-IRLDBZIGSA-N 394.515 3.749 0 40 GHAB CCc1nn2c(nnc3c(=O)n(-c4ccc(OC)cc4)ccc32)c1-c1ccccc1 12389418 QKGOIIGDDRGCPZ-UHFFFAOYSA-N 397.438 3.666 0 40 GHAB CCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 12412574 UURBDVSUDZOERP-UHFFFAOYSA-N 398.893 3.698 0 40 GHAB O=C(Cc1nc2ccccc2n1C[C@@H](O)c1ccccc1)NCc1ccccc1 12506545 VLHNCHNDGBIXBW-JOCHJYFZSA-N 385.467 3.629 0 40 GHAB CCOC(=O)c1sc2nc(CN(C)Cc3cccc(F)c3)nc(N)c2c1C 12587503 SMAYUHCDDJVTGR-UHFFFAOYSA-N 388.468 3.530 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccccc2CN(CC)CC)c1C 12599011 ZGIRFADFLYWVBF-UHFFFAOYSA-N 385.508 3.580 0 40 GHAB CC[C@H](C(=O)NCc1ccccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714348 FVBKBXMBTFQSPW-GOSISDBHSA-N 394.924 3.509 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2C)cc1 13849580 CBFCHVLTIUIBQE-OAHLLOKOSA-N 382.489 3.994 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 15033097 GEEJPAYWJZCDGT-LJQANCHMSA-N 395.551 3.674 0 40 GHAB CCOC(=O)[C@H]1CCCN([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 15350357 SEOZXBYPFJRBGM-PZJWPPBQSA-N 380.488 3.950 0 40 GHAB O=C(O)c1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccccc3)s2)cc1 16331387 SKWOIXDHCQDBPU-GDNBJRDFSA-N 399.859 3.903 0 40 GHAB C[S@](=O)c1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1 17748753 KOZASUZRPGNXCD-RUZDIDTESA-N 380.849 3.596 0 40 GHAB CCc1sc(NC(=O)c2ccc(C)n(C)c2=O)nc1-c1ccc(OC)cc1 19521617 NUCVDVMFDNBECG-UHFFFAOYSA-N 383.473 3.641 0 40 GHAB COc1cccc([C@H](NC(=O)c2nn3cccnc3c2Cl)c2ccccc2)c1 19564942 SVILLAIPNLFFAJ-GOSISDBHSA-N 392.846 3.911 0 40 GHAB CS(=O)(=O)c1cc(Cl)cnc1C1CCN(CCc2ccccc2)CC1 19573359 RNOHFOMBAKRFCF-UHFFFAOYSA-N 378.925 3.561 0 40 GHAB Cc1nc(-c2cncnc2[C@@H]2CCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)no1 19693702 BDUKWROOQXUPEG-MRXNPFEDSA-N 391.475 3.538 0 40 GHAB Cc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCN(Cc2ccccc2)CC1 19793678 UALILBBPHISWMO-UHFFFAOYSA-N 381.907 3.808 0 40 GHAB COc1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 20610969 FATMBWRTUHTTFB-UHFFFAOYSA-N 388.427 3.755 0 40 GHAB O=C(CCS[C@H]1CCc2ccccc2N=C1O)NCCc1ccc(O)cc1 20728503 ZEYZUYAAJIHZBC-IBGZPJMESA-N 384.501 3.777 0 40 GHAB Cc1noc(C)c1COc1ccc(CC(=O)NCCN(C(C)C)C(C)C)cc1 21869936 LLDONNKBRKNDCO-UHFFFAOYSA-N 387.524 3.648 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)CN1CCN(Cc2ccc(Cl)s2)CC1 22930542 RSQITXPXGMKLPA-INIZCTEOSA-N 391.968 3.705 0 40 GHAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2ccccc2c1 23106271 KFHWZSZTJYWKBH-JOCHJYFZSA-N 378.447 3.782 0 40 GHAB Cc1cc(C)c([C@@H](C)NC(=O)CN2CCN(Cc3ccsc3)CC2)cc1C 23257907 BFCWQSBLSOHROP-LJQANCHMSA-N 385.577 3.668 0 40 GHAB Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)N[C@@H](C)c1cc2ccccc2o1 23884350 GQMGONCMHWFFFI-FHNWIRHTSA-N 391.406 3.742 0 40 GHAB CN(C)C[C@H](NC(=O)/C=C/c1ccc(Br)s1)c1ccccc1 24276712 HDNOSBVNTWLWLS-GDXASINISA-N 379.323 3.943 0 40 GHAB CCOc1ccc(Nc2ncccc2C(=O)Nc2ccc(CC(N)=O)cc2)cc1 24491336 KFXZGTRVFRFEAH-UHFFFAOYSA-N 390.443 3.504 0 40 GHAB CN(C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[C@@H]1CCCc2ccccc21 24842691 PFZLRCORISNWOR-OAQYLSRUSA-N 398.528 3.548 0 40 GHAB CSc1ncc(C(=O)N2CCN(Cc3cccs3)CC2)n1-c1ccccc1 25685651 DCQDQBUQBWKNID-UHFFFAOYSA-N 398.557 3.614 0 40 GHAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c(C)c1 30758240 FBXDIFXGYQHMLC-KRWDZBQOSA-N 386.517 3.778 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)c(Br)c1 32764380 ADCCBPQDWORCEN-ZDUSSCGKSA-N 391.265 3.841 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)NCc2ccc(Cn3ccnc3)cc2)c(C)c1C 32876242 YFEUUIYRBBCUAH-UHFFFAOYSA-N 397.544 3.952 0 40 GHAB CCCCn1c(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)nc(C)c1C 32895009 SLPIYCVFSLTWOY-HNNXBMFYSA-N 386.521 3.766 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)O[C@H]1CCCCC1=O 32954669 XNIKTQVCFXMUDT-JKSUJKDBSA-N 386.275 3.803 0 40 GHAB Cc1ccc2nc(COc3ccccc3NC(=O)c3ccccc3)cc(=O)n2c1 33068111 PDDYPEDJPARNDQ-UHFFFAOYSA-N 385.423 3.834 0 40 GHAB Clc1ccc(-n2nnnc2C2(Nc3ccc4c(c3)OCCO4)CCCC2)cc1 35622562 UXXRWKHJKIVMKK-UHFFFAOYSA-N 397.866 3.968 0 40 GHAB Cc1cc(C(=O)Nc2cnn(Cc3cccc4ccccc34)c2)c2cnn(C)c2n1 36616027 HYXJJWKKCNXXLO-UHFFFAOYSA-N 396.454 3.927 0 40 GHAB Cc1ccn(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)/c(=N/C2CCCCC2)c1 40050507 DOGXSUOODMBVHZ-DXXYHEOZSA-N 381.451 3.935 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H](C)c2ccccc2F)cs1 40130377 HTDPSLPSTAJPRH-LLVKDONJSA-N 387.436 3.856 0 40 GHAB O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(OCC(F)(F)F)nc1 42090665 NHFOEAQYPRETCX-UHFFFAOYSA-N 380.351 3.794 0 40 GHAB COc1ccccc1NC(=O)N1CCC(CNC(=O)Cc2cccc(C)c2)CC1 44004720 JZNPCYDNWXPUHF-UHFFFAOYSA-N 395.503 3.606 0 40 GHAB CC(C)[C@H](Oc1ccccc1Br)C(=O)NC1CCN(C2CC2)CC1 45059484 MZRDDTJXGQHZEY-SFHVURJKSA-N 395.341 3.596 0 40 GHAB Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)NC[C@H]2CCOC2)n1 46013368 XLWKKBDBQQRJMG-CYBMUJFWSA-N 382.386 3.666 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(c2nc(-c3ccccn3)no2)C1 49031974 SAYPHZRFUQRXDQ-UHFFFAOYSA-N 398.850 3.568 0 40 GHAB O=C(COC(=O)c1ccccc1Cl)NCc1ccc(Br)cc1 51356238 CNVPPLXZTWLVCE-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB CC(=O)c1sc2nc(CN3CC=C(c4ccccc4)CC3)[nH]c(=O)c2c1C 57281296 ISGNGAZDFZLAEG-UHFFFAOYSA-N 379.485 3.785 0 40 GHAB COc1ccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1Cl 57331967 VDTJMLUKJVUAAL-UHFFFAOYSA-N 380.275 3.547 0 40 GHAB CC(=O)c1ccc(N2CCN([C@@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 57449618 BLELFAIXXVYIQY-AWEZNQCLSA-N 382.489 3.884 0 40 GHAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1NCC(F)(F)F 58208419 ZAGLGZMTOMUQJN-UHFFFAOYSA-N 379.338 3.598 0 40 GHAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 58414830 SNFCFQUUWWCDFT-VIFPVBQESA-N 380.370 3.908 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(CCC(=O)NC4CCCCC4)ccn3n2)cc1C 67260841 IXFUHOHISFFHFO-UHFFFAOYSA-N 392.503 3.619 0 40 GHAB Cc1ccc(-c2nnc(SCCNC(=O)OCC(F)(F)F)o2)c(C)c1 68053133 ZTMOKYUEDMINSL-UHFFFAOYSA-N 375.372 3.734 0 40 GHAB Cc1cccnc1Nc1ccc([C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)nc1 72353399 BUZQRHGTFTULRQ-KRWDZBQOSA-N 388.475 3.526 0 40 GHAB CCc1ncc(CN2CCC[C@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 72360416 XFADNFRPFHFMMM-KRWDZBQOSA-N 395.536 3.983 0 40 GHAB Cc1nccn1-c1cccc([C@H]2CCCN(CCOc3ccc(F)cc3)C2)n1 72379226 NAJLGQHFJXGLJQ-SFHVURJKSA-N 380.467 3.973 0 40 GHAB COc1ccc(-c2cnn3c2NC(=O)[C@@H]3CC(=O)Nc2ccc(Cl)cc2)cc1 72456280 IOWSTXDAIDNESG-KRWDZBQOSA-N 396.834 3.734 0 40 GHAB O=C(OCc1cc(Cl)cc2c1OCOC2)[C@@H](c1ccccc1)n1cccn1 84519402 JQEQPRUTXSPTFW-GOSISDBHSA-N 384.819 3.736 0 40 GHAB O=C(NC1(c2ccc(F)cc2)CCCC1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 89783094 QITFFHCNDMOZSD-QGZVFWFLSA-N 387.499 3.639 0 40 GHAB O=C(c1cc(Br)ccc1Cl)N1C[C@H](CO)Oc2ccccc21 89865586 BGIJXYPQJDKTTA-LLVKDONJSA-N 382.641 3.503 0 40 GHAB Cc1ccccc1COC1CCN(C(=O)Cc2sc(S)nc2C)CC1 91952631 LRBNSSSAXRLIKF-UHFFFAOYSA-N 376.547 3.799 0 40 GHAB COc1ccccc1[C@H](C)N1CCN(C(=O)c2ncoc2-c2ccccc2)CC1 95958362 NPBQROMFIOXYKX-KRWDZBQOSA-N 391.471 3.869 0 40 GHAB COc1ccc(C)nc1NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 95963061 MDLHLKLJUGUYIJ-UHFFFAOYSA-N 376.338 3.855 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1n[nH]c2c1CCCCC2 96230728 MKFUGVVPHXLYFM-IBGZPJMESA-N 378.476 3.976 0 40 GHAB Cc1cccc(NC(=O)c2c(O)c3ccccc3n(Cc3ccccc3)c2=O)n1 100630027 RRPXVVGYPVFRRS-UHFFFAOYSA-N 385.423 3.711 0 40 GHAB COc1ccccc1Oc1ccc(NC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 100646741 XDGVDCRIUNNEGV-DVNWZYOCSA-N 379.412 3.624 0 40 GHAB COCc1nn2c(O)cc(CCc3c(C)noc3C)nc2c1-c1ccccc1 100776313 WEOPEPMWRBBREB-UHFFFAOYSA-N 378.432 3.638 0 40 GHAB C[C@H](NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1)[C@H]1C[C@@H]2CC[C@@H]1C2 103130353 CQXMBIFZBHZLIH-REWJHTLYSA-N 397.924 3.849 0 40 GHAB Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@H]2CN2CCCCC2)CC1 105112592 KJYZAYSTJUMEPE-QHCPKHFHSA-N 398.595 3.619 0 40 GHAB COc1ccc(CN2CC[C@]3(COCc4cnc(-c5ccccc5)nc43)C2)cc1 105983281 MIKSKFZKIUWBQP-XMMPIXPASA-N 387.483 3.826 0 40 GHAB COc1cc(OC)cc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 218897941 FXXDGQMEYMNNHB-IBGZPJMESA-N 385.460 3.810 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 222519769 NKYZPMBAUNXXHF-MRXNPFEDSA-N 388.895 3.662 0 40 GHAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc4ccccc34)c(Cl)cc21 223343352 KUAPVXFSQUFPAG-UHFFFAOYSA-N 388.832 3.739 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 223866481 PLUFDENNIWQTEP-KRWDZBQOSA-N 398.478 3.681 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 224222943 YKRDJZXGCQCLRK-OAQYLSRUSA-N 396.531 3.934 0 40 GHAB CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1c(F)cccc1Cl 224355869 ZYZRIOPDAHILFW-UHFFFAOYSA-N 377.851 3.578 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC(COc2ccc(F)cc2)C1 225560997 XBFHRHNYUNENIA-UHFFFAOYSA-N 383.398 3.516 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 225573633 SQPSAYWPASEKAY-HNNXBMFYSA-N 390.886 3.964 0 40 GHAB COc1ccccc1OCC(=O)NCC1(c2ccc([C@@H](C)O)s2)CCCC1 225681605 SPEGTPNUUIEXPE-OAHLLOKOSA-N 389.517 3.817 0 40 GHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(OC)cc2OC)CC1=O 243995236 SFCXEPBXHMVEKU-KRWDZBQOSA-N 396.487 3.820 0 40 GHAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1cc(Br)cs1 253471733 FJHIWTHWLXLDHR-OAHLLOKOSA-N 398.303 3.831 0 40 GHAB CCn1cc(CN2CCO[C@@H](c3cccc(-c4ccc(OC)cc4)n3)C2)c(C)n1 257234363 GTFKMBNNSMPYAQ-HSZRJFAPSA-N 392.503 3.856 0 40 GHAB O=C(c1cncnc1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257240910 HVSCZFNLLOVZKZ-HNNXBMFYSA-N 382.851 3.729 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)N1[C@@H]2CN[C@@H]3CCCC[C@H]1[C@]3(C)C2 257267637 MIEXARGPNYKWIC-YHXHNGJMSA-N 382.533 3.649 0 40 GHAB Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CN(Cc3ncc[nH]3)CCO2)n1 257303670 SIENMNKLLGTTCR-FQEVSTJZSA-N 382.895 3.931 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@H]1c1cnc(N2CC3(CCCCC3)OC2=O)cn1 257316062 VDYPANNCUAFVNG-INIZCTEOSA-N 386.496 3.846 0 40 GHAB COc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCCCc2ccccc2)n1 260708140 DFHXRUPPHBSRRH-INIZCTEOSA-N 399.564 3.641 0 40 GHAB CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)NC2CCCCCC2)c2ccccn12 306127605 GDHPVXRRGSZVEF-SFHVURJKSA-N 397.523 3.605 0 40 GHAB Cc1cccc(C(=O)N2CC[C@@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)c1 306136919 QGUUULXABIVQJC-HSZRJFAPSA-N 391.446 3.813 0 40 GHAB CCCCNC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 409129044 QLDIYCUOLXAGLL-UHFFFAOYSA-N 388.533 3.669 0 40 GHAB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)c(Cl)cc1OC 409220939 IBJQSOAWQIHAQG-OQLLNIDSSA-N 385.869 3.820 0 40 GHAB COCCOc1c(Cl)cc(NC(=O)N[C@]23C[C@@H]2COC3(C)C)cc1Cl 529044811 NCKWOZMKSHQWKR-BMLIUANNSA-N 389.279 3.708 0 40 GHAB Cc1cnc(CCNC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cn1 583855522 CSIPWDFPOHGTRM-UHFFFAOYSA-N 381.455 3.537 0 40 GHAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc(F)cc2)C1 585260828 BZIIYOSLEVNLJN-HSZRJFAPSA-N 393.462 3.662 0 40 GHAB Cc1nc2ccccn2c1CNCc1ccc(I)s1 1203977396 VPLILAMTHLPBRA-UHFFFAOYSA-N 383.258 3.599 0 40 GHAB CCn1cnc2c(N[C@H]3CCCCCN(C(=O)[C@@H](C)CC(C)C)C3)ncnc21 1615610094 AEDYLADRLKLSMJ-IRXDYDNUSA-N 386.544 3.712 0 40 GHAB O=C(c1ccc(Cl)cc1Cl)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775965805 IQSCOTCQECVCOE-UHFFFAOYSA-N 392.286 3.905 0 40 GHAB COc1ccc(CNC(=O)c2sc3nc4cc(OC)ccc4cc3c2N)cc1 915364 NCQLLOYVYFVIDC-UHFFFAOYSA-N 393.468 3.979 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)O 2157552 NOHJPRJHIPDDHW-SBKAZYGRSA-N 399.443 3.622 0 40 GHAB biogenic CC[C@H]1CCCCN1CC(=O)Nc1c(C(=O)OC)[nH]c2ccc(Cl)cc12 2292636 BLANWFMYOGXJSG-ZDUSSCGKSA-N 377.872 3.811 0 40 GHAB COc1cccc2[nH]c3c(N4CCN(C/C=C/c5ccccc5)CC4)ncnc3c12 2420536 CXCGYZKISWGZIB-RMKNXTFCSA-N 399.498 3.955 0 40 GHAB CCn1nccc1C(=O)Nc1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 2795702 PFDNOVBTRGAMCS-UHFFFAOYSA-N 398.488 3.573 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(CC)CC)c2)cc1 3316078 GVIMHFMCOYGQTG-UHFFFAOYSA-N 390.505 3.805 0 40 GHAB O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(Cc2ccccc2)C1 3349201 NBEOSAFVNPGHAS-HNNXBMFYSA-N 377.271 3.658 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 3565839 OEXAFRUTXWEWMA-UHFFFAOYSA-N 396.871 3.906 0 40 GHAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccc(Cl)cc1Cl 3603200 PXUZJHZBSHSAQM-UHFFFAOYSA-N 391.254 3.686 0 40 GHAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 4313021 UBOGIRLQDCQNPY-OAHLLOKOSA-N 394.475 3.835 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)nc2n1 4523500 SMXDBXJNHABBMA-LFPRZYRFSA-N 399.564 3.554 0 40 GHAB C[C@@H](CC(=O)NCc1ccccn1)CC(=O)Nc1cccc(Br)c1 4682617 XOQUMMANAWZZOP-ZDUSSCGKSA-N 390.281 3.515 0 40 GHAB CCc1ccc2[nH]c3nc(SCCC(=O)N4CCCCCC4)nnc3c2c1 4966934 CQWXYTKROUHFQL-UHFFFAOYSA-N 383.521 3.953 0 40 GHAB Cc1cccc(C)c1NC(=O)COC(=O)c1c(C)nn(-c2ccccc2)c1C 5211125 XCOZHMMSUPVNCC-UHFFFAOYSA-N 377.444 3.901 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Sc2nc(C)c(C)n2CC(C)C)cc1 5262869 IPVWILKGMUDEFM-MRXNPFEDSA-N 375.538 3.962 0 40 GHAB Cc1ccc(-c2noc(CNS(=O)(=O)c3ccc4ccccc4c3)n2)cc1 5427600 IOASHLGOWCNQSW-UHFFFAOYSA-N 379.441 3.677 0 40 GHAB CC(C)(C)c1ccc(NC(=O)CSc2nnnn2-c2cccc(F)c2)cc1 5795520 HUALBDQHSNANRY-UHFFFAOYSA-N 385.468 3.830 0 40 GHAB COC(=O)c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)cc1 6405719 MZHJRFFKCVPTEQ-UHFFFAOYSA-N 378.222 3.562 0 40 GHAB COc1ccccc1NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 6681675 MKHCHWSIVKMZBR-UHFFFAOYSA-N 388.470 3.810 0 40 GHAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1ccc2c(c1)CCC2 7777775 NMCRMBGGVWGCGJ-UHFFFAOYSA-N 383.473 3.576 0 40 GHAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1N1CCCCC1 7779079 GOIRYKDLLDYTPV-UHFFFAOYSA-N 391.471 3.692 0 40 GHAB COc1cc(C(=O)NCCN2CCCC2)ccc1OCc1ccc(Cl)cc1 8074171 YYCOXCADVKWSKQ-UHFFFAOYSA-N 388.895 3.753 0 40 GHAB Cc1nc(-c2cccs2)sc1C(=O)OCc1cc(=O)n2ccsc2n1 8231610 XOHBGWQWRKWUKG-UHFFFAOYSA-N 389.483 3.606 0 40 GHAB CC(C)c1ccc(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 8380981 ZXNOBNUPTCHVNC-SFQUDFHCSA-N 398.528 3.569 0 40 GHAB CCOc1ccc(OCCNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 8402728 IEZAYTGAAKMNOS-UHFFFAOYSA-N 391.471 3.957 0 40 GHAB Cc1cccc2c(=O)n(CCCC(=O)N3CCC[C@H]3c3ccccc3)cnc12 9958843 OPPNAJBOUOHXMB-FQEVSTJZSA-N 375.472 3.849 0 40 GHAB Cc1cc2oc(=O)cc(COC(=O)c3cccc(C[S@@](C)=O)c3)c2cc1C 10236577 MQURZDUMHGNHHC-MHZLTWQESA-N 384.453 3.645 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)OCc3nc4ccccc4s3)ccc12 10275966 FETOYGDKBDVESB-UHFFFAOYSA-N 381.409 3.833 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(C(=O)NC2CC2)cc1 10912408 RAICXKAHDYPRSU-UHFFFAOYSA-N 375.428 3.805 0 40 GHAB O=C(Nc1ccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1)c1ccco1 11146757 RHGKZHAZLXUMRF-LJQANCHMSA-N 396.830 3.805 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1cc(-c2ccc(F)cc2)on1 11693172 FLFGUQAKPOMMIQ-UHFFFAOYSA-N 383.379 3.629 0 40 GHAB COc1ccc([C@@H](CC(=O)N[C@H]2CCSc3ccccc32)NC(C)=O)cc1 11741781 NZPJJEKIQANFSZ-RBUKOAKNSA-N 384.501 3.616 0 40 GHAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCC[C@@H](n2c(=O)oc3ccccc32)C1 12119215 XAGSJYHYDVUZIM-FUHWJXTLSA-N 394.471 3.839 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(C(=O)c3ccoc3)C2)on1 12123469 WNLGYJUWASUGBN-OAHLLOKOSA-N 391.431 3.614 0 40 GHAB Cc1cnc(-c2nc(C3CCN(C(=O)c4cc(C)c(C)s4)CC3)no2)cn1 12187479 WGQZIDRYEDFAGC-UHFFFAOYSA-N 383.477 3.533 0 40 GHAB O=C(CCc1ccccc1F)N1CCC[C@H](c2noc(-c3ccccn3)n2)C1 12292032 LTBASKLNBATMAF-INIZCTEOSA-N 380.423 3.610 0 40 GHAB C/C=C/c1ccc(OCc2nnc3n(CC)c(=O)c4ccccc4n23)c(OC)c1 12523518 KZHODPGJQPYBEC-XBXARRHUSA-N 390.443 3.685 0 40 GHAB COc1ccc(-n2ccnc2SCc2nc3c(C)cccc3c(=O)[nH]2)cc1 12547727 XOCSIJNKPJFMBR-UHFFFAOYSA-N 378.457 3.718 0 40 GHAB O=S(=O)(Nc1cnc(-c2ccccc2)nc1)c1cccc(Br)c1 12548557 SCUCRESFBPCXTO-UHFFFAOYSA-N 390.262 3.707 0 40 GHAB COc1ccc(-c2noc(CNC(=S)Nc3cccc(C)c3)n2)cc1OC 12654317 SDLCVXNVVBVWBT-UHFFFAOYSA-N 384.461 3.549 0 40 GHAB CCCc1ccc(NC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)cc1 12775299 IFMSRYOQLKJGMN-QGZVFWFLSA-N 380.535 3.642 0 40 GHAB O=C(Nc1ccnn1C1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 12788173 CYTVLSBPKRBJPH-UHFFFAOYSA-N 399.454 3.950 0 40 GHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 12798435 LBNQUUCSGWYHPN-UHFFFAOYSA-N 392.499 3.905 0 40 GHAB CC(=O)c1c[nH]c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2Cl)c1 12863954 FGJOPSRJNDDSRQ-MRXNPFEDSA-N 376.840 3.684 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1nccs1 12875132 FPFLLSZOQUFMJJ-UHFFFAOYSA-N 391.449 3.644 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 12928408 CZGZYBZGALZQMV-UHFFFAOYSA-N 396.299 4.000 0 40 GHAB Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2cccn2C)ccc1Br 12973660 NIYWZHNMVWXEAP-MRXNPFEDSA-N 383.311 3.622 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715186 SUJQTMJKCNOMDH-SFHVURJKSA-N 378.469 3.626 0 40 GHAB CCCn1c(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)nc2ccccc21 14093649 ANIJKVMJAPOAPW-SFHVURJKSA-N 390.487 3.742 0 40 GHAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1cncc(Br)c1 14168114 WIRWVWQOXURQFX-UHFFFAOYSA-N 398.260 3.708 0 40 GHAB CCNC(=O)c1cccc(NC(=O)c2cnc(SC)n2-c2ccccc2)c1 15024406 CVQWTUKSJKNOQB-UHFFFAOYSA-N 380.473 3.596 0 40 GHAB O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)N(Cc2cc3ccccc3o2)C1 15674652 JQIHFOKMGNWHCW-MJGOQNOKSA-N 375.428 3.715 0 40 GHAB biogenic,in-vitro Cc1ccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2C)cc1C 15731612 KWSPKMRFCAGWEJ-UHFFFAOYSA-N 375.388 3.638 0 40 GHAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)Cc1ccccc1-2 15982732 QAKDEVQUYGZHTO-OYRHEFFESA-N 388.467 3.762 0 40 GHAB COc1ccc(C(=O)O[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1F 16133356 GVXQRSHDOVNCSW-GOSISDBHSA-N 384.363 3.668 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)CC(C)(C)C)on1 19121771 ZZMLUVIQXGRPGD-INIZCTEOSA-N 385.512 3.996 0 40 GHAB O=C(C1CCC1)N1CCC(c2nc(NC3CC3)ncc2-c2ccncc2)CC1 19405729 CHFYXHMNGXHBLM-UHFFFAOYSA-N 377.492 3.619 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 20492023 UOYCBZPHJQRDLU-OAQYLSRUSA-N 396.487 3.572 0 40 GHAB CC(C)CC(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O 20649268 PUDVVDDLVZDFIZ-IBGZPJMESA-N 395.425 3.639 0 40 GHAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccco3)N3CCOCC3)oc2c1 20649980 YZUHDNTYPICAHT-KRWDZBQOSA-N 382.460 3.754 0 40 GHAB CN1C(=O)CC[C@@H](C(=O)Nc2cccc(Br)c2)[C@H]1c1ccccc1 20720507 IOPDKNLCEGXIIX-SJLPKXTDSA-N 387.277 3.997 0 40 GHAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccsc3)cc2)CC1 21892575 XBKJLYAFTXVDDN-UHFFFAOYSA-N 392.546 3.740 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc(C)c1Cl 22388247 XGLFGMRNRSNMKT-UHFFFAOYSA-N 388.895 3.807 0 40 GHAB Cc1nc2ccccc2nc1CN1CCN(Cc2nc3ccccc3nc2C)CC1 22942638 VFJKIDWZVNQTIR-UHFFFAOYSA-N 398.514 3.508 0 40 GHAB OCCN1CCN(CC/C=C2/c3ccccc3COc3ccc(Cl)cc32)CC1 23477086 RAAHIUIRJUOMAU-MPUCSWFWSA-N 398.934 3.664 0 40 GHAB in-man COC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)s1 27808621 RSPAWSKOGUMUER-AWEZNQCLSA-N 375.446 3.529 0 40 GHAB Cc1nn(CCC(=O)N[C@H]2CCCc3ccccc32)c(C)c1Br 27969321 AOJSUXUXBNRWCM-INIZCTEOSA-N 376.298 3.846 0 40 GHAB Cc1cc(C)c2c(n1)oc1c(=O)n(CC(=O)Nc3cccc4ccccc34)cnc12 32095499 KQTXHPGWTYIRCS-UHFFFAOYSA-N 398.422 3.946 0 40 GHAB CN(C)[C@@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1Cl 32700107 GKSMNYRWCMRSRK-FQEVSTJZSA-N 386.923 3.807 0 40 GHAB Cc1cc(CN2CCN(C(=O)c3cc(C(C)C)nc4ccccc34)CC2)no1 32841678 UEBMSFZIVLAZNJ-UHFFFAOYSA-N 378.476 3.613 0 40 GHAB COc1ccc(CNC(=O)c2ccc(Cn3c(C)nc4ccccc43)o2)cc1 35597053 QWMXNPCSOJFNOV-UHFFFAOYSA-N 375.428 3.925 0 40 GHAB CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)NC1=S 39556512 WIAOOCBGHWYPRF-RGEXLXHISA-N 391.496 3.798 0 40 GHAB Cc1cccc(C)c1OCCNC(=O)CCCc1nc(-c2cccs2)no1 40113789 GVNLUSANSHITDG-UHFFFAOYSA-N 385.489 3.933 0 40 GHAB CC(=O)Nc1ccc(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)cc1 40142738 FIHBAXLENIWPPU-JOCHJYFZSA-N 393.531 3.848 0 40 GHAB O=C(CS(=O)(=O)c1cccc(Br)c1)Nc1ccccc1Cl 40143004 PJMBJBGRFNDXAA-UHFFFAOYSA-N 388.670 3.515 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H](C)SCc3ccccc3)C2)nc1 40145931 CQOUDXLJZFIUHF-MJGOQNOKSA-N 397.544 3.889 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1Br 41091694 IGSLDRLTIMAQKK-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccc(F)cc3F)n2)cc1 42380991 JNGFUKGLJIZYEZ-ZDUSSCGKSA-N 399.397 3.787 0 40 GHAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)cn2)n1 43774581 SOCDZESXOYTLPH-UHFFFAOYSA-N 393.472 3.571 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 48064858 SIQKPIHNXDOIII-YRNVUSSQSA-N 396.443 3.698 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 48064924 UKYIRRGCFJRLQU-BGVYSJOJSA-N 393.487 3.659 0 40 GHAB O=C(CN(C[C@H]1CCCO1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl 48363231 IILAAXRZZTYOEZ-HUUCEWRRSA-N 387.307 3.592 0 40 GHAB Cc1c(C(=O)NC2CCCCCC2)nnn1-c1ccc(Br)cc1 51317964 YQAXBOYNZJZYQX-UHFFFAOYSA-N 377.286 3.791 0 40 GHAB COc1ccc2c(c1)c(C(=O)Cn1nc(-c3cccs3)ccc1=O)c(C)n2C 61717598 ZPWWELHVQGLEPS-UHFFFAOYSA-N 393.468 3.663 0 40 GHAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2cc(Cl)ccc2C)cc1 67198564 DTYZCTPKDMEAEF-UHFFFAOYSA-N 397.862 3.828 0 40 GHAB O=C(NCCc1cccs1)c1cn[nH]c1-c1cccc(Br)c1 72329079 NKSLMAGMEGWFBL-UHFFFAOYSA-N 376.279 3.873 0 40 GHAB CC(C)c1nccn1-c1cncc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72355351 QKKWYNMKTUUXGG-IBGZPJMESA-N 389.503 3.734 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@H](O)C4)cc3)cc2c1 72396157 YNLWNMCFGPGBEA-FQEVSTJZSA-N 393.487 3.500 0 40 GHAB Cc1nn(C)c(Oc2cccnc2)c1NS(=O)(=O)c1ccc(F)cc1Cl 78737214 ZBLCSLVCQZLAEF-UHFFFAOYSA-N 396.831 3.509 0 40 GHAB CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)OC(C)C 85965729 FPABVZYYTCHNMK-NROHIKSYSA-N 396.568 3.910 0 40 GHAB CCN1CCN(c2ccc(C(=O)Nc3nc(-c4cccnc4)cs3)cc2)CC1 95960354 YQKIEPHKDIFDFU-UHFFFAOYSA-N 393.516 3.599 0 40 GHAB Cc1noc(Cc2ccccc2NC(=O)c2sc(-n3cccc3)nc2C)n1 96097021 SRWGOCJUYFNQRR-UHFFFAOYSA-N 379.445 3.777 0 40 GHAB O=C(NCCn1ccc(C(F)(F)F)n1)C1c2ccccc2Oc2ccccc21 96099001 MZMUHYNBMROPPW-UHFFFAOYSA-N 387.361 3.956 0 40 GHAB Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CCCSc2ccccc21 96822541 BNBPBDZKCKNZQW-NBVRZTHBSA-N 377.473 3.509 0 40 GHAB O=C(NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)C1(c2ccccc2)CC1 98212621 LQKZEXQIYJUTHD-UHFFFAOYSA-N 386.499 3.894 0 40 GHAB CCNC1=CC2=Nc3cc(NCC)c(NCC)cc3N(CC)[C@H]2C=C1NCC 100643752 QEEUNSVZWHMOFB-NRFANRHFSA-N 382.556 3.832 0 40 GHAB O=C(O)c1ccc(Cl)cc1N/C=C/c1nnnn1-c1ccc(Cl)cc1 101004030 NLMOPNRQINNXET-BQYQJAHWSA-N 376.203 3.750 0 40 GHAB COc1cccc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)c1 101403751 VLHIJHSARPSERJ-CALCHBBNSA-N 391.471 3.850 0 40 GHAB CCc1ccccc1N1C[C@H](C(=O)N2CCC(c3nc(C)cs3)CC2)CC1=O 102646741 CAGJKZBRSRBGIW-GOSISDBHSA-N 397.544 3.773 0 40 GHAB O=C(OCc1cc(Cl)c2c(c1)OCCCO2)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 104006408 JBKWNNOHJRMGRC-VKFLQFAXSA-N 392.879 3.876 0 40 GHAB C[C@@H](O)CN1CCC(CN(C)Cc2c(-c3ccccc3)nc3ccccn23)CC1 106125963 YCDCRNJTXIJYFS-LJQANCHMSA-N 392.547 3.526 0 40 GHAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113953831 FJNYMMCOHZOVMV-LJQANCHMSA-N 387.911 3.888 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(C)cc1 113967493 FNIYDHQDNVBGLY-HNAYVOBHSA-N 392.496 3.556 0 40 GHAB COc1ccccc1CCCNC(=O)CSc1ccc(OC)c(OC)c1 216389793 NUYRUCCCXUOZMP-UHFFFAOYSA-N 375.490 3.554 0 40 GHAB Clc1ccccc1-c1nnc(-c2cc3c(N4CCOCC4)ncnc3s2)o1 216609523 MEUUBVCPQVKHQK-UHFFFAOYSA-N 399.863 3.898 0 40 GHAB O=C(O)c1ccc(NCCC2=CCCCC2)c(S(=O)(=O)NC2CCCC2)c1 217444039 WFMQCHALLHWFIH-UHFFFAOYSA-N 392.521 3.908 0 40 GHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 222890541 QQOKIWLZUJNWJT-PMACEKPBSA-N 377.517 3.709 0 40 GHAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 222935235 WGHUKMUXZSRDJW-LEWJYISDSA-N 391.544 3.955 0 40 GHAB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1NC(C)=O 223357883 AIEDRJOTLFRVEE-CYBMUJFWSA-N 378.519 3.715 0 40 GHAB CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 223996365 LSTPTAHQNCNTDB-UHFFFAOYSA-N 378.519 3.739 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)cc1 224038327 XIVFPIICPSGVHZ-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224100633 KCKUVIBLYBGDLG-FQEVSTJZSA-N 396.531 3.872 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 224350915 MMTOJDCRGWBXFG-LJQANCHMSA-N 390.886 3.965 0 40 GHAB COc1cccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 224836554 MMYJEDGLNLEYRB-SFHVURJKSA-N 382.504 3.765 0 40 GHAB O=C(N[C@@H]1C[C@@H]2C(=O)Nc3ccccc3N2C1)c1ccc(-c2cccs2)cc1 225628566 GJMDSAGUFVEWDA-VQIMIIECSA-N 389.480 3.745 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1-c1ccc(C(=O)O)o1 226352901 LFVSXBBJWMYAGR-UHFFFAOYSA-N 375.377 3.893 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1 257291495 QHELCKYUERUICZ-YWMUFLPLSA-N 392.434 3.540 0 40 GHAB Cc1ccccc1Cc1cccc([C@@H]2CN(Cc3cnn(C)c3C)CCO2)n1 257327981 XDQYCNBLKXXWPU-QHCPKHFHSA-N 376.504 3.596 0 40 GHAB Cc1ccccc1CN(c1ccc(C(=O)N[C@H](C)C(C)C)cc1)S(C)(=O)=O 260895004 HFRBXNFBKYQFOH-QGZVFWFLSA-N 388.533 3.736 0 40 GHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(OC)c3)o2)cc1 409328579 XXLWBRLKPGMACN-UHFFFAOYSA-N 399.472 3.950 0 40 GHAB Cc1cc2nc3s/c(=C\c4ccc(Br)s4)c(=O)n3c2cc1C 409389173 ANTKRWAKHXFYMN-QPEQYQDCSA-N 391.315 3.898 0 40 GHAB C[C@@H](CC(=O)NCc1ccc(C(=O)N=c2cc[nH]cc2)cc1)C1CCCCC1 511756013 RHWCGKBEHRZPHU-KRWDZBQOSA-N 379.504 3.979 0 40 GHAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@H](Oc2ccncc2Cl)C1 575612743 MDYGUHPZVJRPPF-AWEZNQCLSA-N 384.819 3.525 0 40 GHAB Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3cc(-n4cccc4)ccn3)C2)s1 578633981 GKCJYBIQVZMNDG-GOSISDBHSA-N 394.544 3.836 0 40 GHAB Cc1ccccc1CCc1nc(=NCc2ccc(Cl)cc2)[nH]cc1C(=O)O 585266558 FIJFPHKOTONUQF-UHFFFAOYSA-N 381.863 3.956 0 40 GHAB Cc1c(Cl)cccc1OCC(=O)N1CCN[C@H](c2ccc(Cl)cc2)C1 1630797248 ONSHHPRNSJGHKX-KRWDZBQOSA-N 379.287 3.854 0 40 GHAB FC(F)(F)c1ccc(N2CCN(c3ncccc3Br)CC2)nc1 1888863537 MQTIVCATXUNFNG-UHFFFAOYSA-N 387.203 3.585 0 40 GHAB COC(=O)c1cccc(O[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c1 1446584 LWXWVENPPYOJQH-CQSZACIVSA-N 392.622 3.571 0 40 GHAB CCOC(=O)c1[nH]c2ccccc2c1CCCN1C(=O)c2ccccc2C1=O 1514514 DCDZZFBSPJDGMG-UHFFFAOYSA-N 376.412 3.573 0 40 GHAB C[C@H](C(=O)N[C@H](c1ccccc1)C1CCCC1)N1C(=O)c2ccccc2C1=O 2337479 CWAXEJXJFKZJHD-FOIQADDNSA-N 376.456 3.719 0 40 GHAB CCSc1nc(NCC(OC)OC)c2c3c(sc2n1)COC(C)(C)C3 2405289 IQXADGYYSBFJPS-UHFFFAOYSA-N 383.539 3.685 0 40 GHAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc(F)c1 2438740 IUMFEUMCOOIKOL-UHFFFAOYSA-N 376.482 3.820 0 40 GHAB Nn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 2445427 JFVTTXAVEYIVON-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB COc1ccc(CCNC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)cc1 2632000 QUWISSRQEGDBRB-UXBLZVDNSA-N 377.387 3.677 0 40 GHAB Cc1cc2[nH]c(=O)cc(CSc3nccc(-c4ccc(Cl)cc4)n3)n2n1 2730930 PAYHUVVIQPUODN-UHFFFAOYSA-N 383.864 3.734 0 40 GHAB CC(C)CCNC(=O)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 3380531 RCISOSGMMPWHDZ-UHFFFAOYSA-N 381.498 3.913 0 40 GHAB Cn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1ccccc1F 3398466 YWWXPSOUMFWEPP-SFHVURJKSA-N 396.491 3.907 0 40 GHAB O=C(COc1ncnc2ccc(Br)cc12)Nc1ccc(F)cc1F 3456567 TULWGVIPBBDHKB-UHFFFAOYSA-N 394.175 3.688 0 40 GHAB COc1ccc(-c2nnc(SCCCn3c(=O)[nH]c4ccccc43)o2)cc1 3568202 JWJVPGJQFWFMQO-UHFFFAOYSA-N 382.445 3.571 0 40 GHAB O=c1oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1 3653702 ARIZSMJPDIGQRU-UHFFFAOYSA-N 376.242 3.962 0 40 GHAB O=C1N[C@@H](c2ccncc2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 4091845 ZEZMYEUJLGBNPL-LJQANCHMSA-N 376.485 3.556 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)c1 4305203 CQJSLPVRSSTFPW-HXUWFJFHSA-N 396.512 3.979 0 40 GHAB CN(C)CCCN(C(=O)c1cccs1)c1nc2cc3c(cc2s1)OCO3 4359793 WHIFMHWVALUNKA-UHFFFAOYSA-N 389.502 3.685 0 40 GHAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1 4535479 AJZXSEOTPYRHHN-KRWDZBQOSA-N 380.444 3.670 0 40 GHAB Cc1ccc(-c2cc(C(F)(F)F)nc(S[C@@H]3CC(=O)[C@H]4OC[C@@H]3O4)n2)cc1 4577721 VHSVBFVUAMIUAE-LZWOXQAQSA-N 396.390 3.646 0 40 GHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(F)cc2)n2ncnc2N1 4704183 NKRRMZVAYIDRHI-IBGZPJMESA-N 377.423 3.962 0 40 GHAB O=C(O)[C@H]1C2C[C@@H]3C[C@H](C2)CC1(n1ncc(Nc2ccccc2)c(Cl)c1=O)C3 4912666 NJFDYXSROPTPFM-CUQFQEKKSA-N 399.878 3.876 0 40 GHAB CC[C@@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 4965189 PNDBDNBDPNMQEK-RDTXWAMCSA-N 386.521 3.579 0 40 GHAB O=C(c1ccco1)N1CCCc2ccc(NS(=O)(=O)c3ccccc3)cc21 5136510 GPUZFSVPGQDFTJ-UHFFFAOYSA-N 382.441 3.673 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)o2)c(OC)c1 5170803 JLGOARQHVSYVAK-CYBMUJFWSA-N 399.472 3.723 0 40 GHAB COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)cc1 5206334 PZEORIFGPSWNIS-HYBUGGRVSA-N 398.418 3.776 0 40 GHAB O=C(CCC1CCCCC1)N[C@@]1(C(F)(F)F)Nc2nc3ccccc3n2C1=O 5209604 SJIIOKTZDCLSAH-GOSISDBHSA-N 394.397 3.837 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O 5268848 UIWQQBHTMPZNNP-UHFFFAOYSA-N 386.810 3.950 0 40 GHAB COc1ccc(C2=NO[C@H](COc3ccc4c(C)cc(=O)oc4c3)C2)c(OC)c1 5338910 KWSUHWVBKGMFSX-INIZCTEOSA-N 395.411 3.691 0 40 GHAB biogenic O=C1Cc2cc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2N1 5403107 IWZUNVFBSQJUTB-UHFFFAOYSA-N 390.770 3.654 0 40 GHAB Cc1ccc(-c2nnn(CC(=O)c3cc(C)n(CC(F)(F)F)c3C)n2)cc1 5491891 GWBUWIPMVVLYAC-UHFFFAOYSA-N 377.370 3.512 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)C(=O)NCC3CCCCC3)cc2)n1 6053976 PCDHUUULKMRWIV-QGZVFWFLSA-N 383.492 3.731 0 40 GHAB O=S(=O)(NCCCCCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 6133780 SLKVWJDLYNYUJE-UHFFFAOYSA-N 377.897 3.908 0 40 GHAB N=C(N)SCc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 6454600 RMFKOTTZWANNAP-UHFFFAOYSA-N 376.441 3.772 0 40 GHAB CCCCSc1nnc(NC(=O)c2nc(SC)ncc2Cl)s1 6810471 INXHRPROHPGLEQ-UHFFFAOYSA-N 375.932 3.848 0 40 GHAB CCc1cccc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 6944719 MNKZMJONANFONP-UHFFFAOYSA-N 377.444 3.847 0 40 GHAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 7052118 FKXLFNRCIRKAIP-HNNXBMFYSA-N 399.516 3.799 0 40 GHAB Cc1ccccc1-c1noc(Cn2cnc3ccc(Br)cc3c2=O)n1 7392331 VPPWVBCLHURGFC-UHFFFAOYSA-N 397.232 3.566 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1ccncc1 7634651 RRQRWXOTFLWCOB-LLVKDONJSA-N 389.431 3.758 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccccc3)n2)cc1OC 7750899 GIWOUMPJSKZIPW-AWEZNQCLSA-N 381.432 3.564 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1N1CCCC1=O 8157146 GIOZODTURMHBAS-OAQYLSRUSA-N 389.455 3.716 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1nc2ccccc2o1 8213633 IRTIGFPQHXLBAG-UHFFFAOYSA-N 388.265 3.969 0 40 GHAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8240482 KNMGJIAADNXLQO-UHFFFAOYSA-N 381.741 3.707 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1 8412856 BYBWKHJEKJNONM-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cc(Cl)ccc1C 8415922 WUHKIWAXYNXKOJ-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(N3CCCC3=O)cc2)c1 8774286 QIILGGFJKBNQRK-HXUWFJFHSA-N 394.471 3.808 0 40 GHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(F)c3)ccc21 8840749 NZXFPPIFDGUDOQ-UHFFFAOYSA-N 376.453 3.706 0 40 GHAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(Oc2ccccc2)c1 8843539 HUZDBNOJKGXBSI-LJQANCHMSA-N 376.416 3.922 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(OC(F)(F)F)cc1 10900783 CNIGOFMEUVJVDC-UHFFFAOYSA-N 394.393 3.694 0 40 GHAB O=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc(C(=O)NC2CC2)c1 11232055 FKJUQZJSEFKRFS-UHFFFAOYSA-N 379.243 3.903 0 40 GHAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(NS(C)(=O)=O)cc1 11564442 RZZCGLUWCOTMHQ-UHFFFAOYSA-N 387.288 3.637 0 40 GHAB COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2noc3c2CCCC3)cc1 12145712 JSXRCWZEFVRXLZ-GOSISDBHSA-N 392.459 3.555 0 40 GHAB CCn1c(C)cc2cc(NC(=O)c3cc4ncc(C(C)=O)c(C)n4n3)ccc21 12148361 DTQKHOMHEJPMIM-UHFFFAOYSA-N 375.432 3.776 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)cc2n1 12257644 CWLQHFFWODHSDC-CQSZACIVSA-N 380.414 3.953 0 40 GHAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)CCC4)CC1)O2 12330214 XEBGHOWCYQJQCG-PKTZIBPZSA-N 393.527 3.868 0 40 GHAB C[C@@]1(c2cccc(-n3cnnn3)c2)Nc2ccccc2C(=O)N1c1ccccc1 12543660 FEROQLZSTUZAME-JOCHJYFZSA-N 382.427 3.608 0 40 GHAB O=C(c1ccccc1NS(=O)(=O)c1cccs1)N1CCc2ccccc2C1 12748242 KHPCEXWKBWCASI-UHFFFAOYSA-N 398.509 3.747 0 40 GHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(SC(F)(F)F)cc1 12758840 BJRXJNJYLTUEOV-UHFFFAOYSA-N 399.419 3.869 0 40 GHAB O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@@H]1Cc2cc(Cl)ccc2O1 12766722 SMIYAQSGXNLRES-INIZCTEOSA-N 375.215 3.516 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 12796096 CMGODFTVNMFWDR-LLVKDONJSA-N 379.243 3.994 0 40 GHAB O=C(Nc1cc(F)ccc1F)c1nn(-c2ccccc2)c(=O)c2ccccc12 12796492 BNNPHXIYVPXWKI-UHFFFAOYSA-N 377.350 3.916 0 40 GHAB O=C(CN1CCc2ccccc2C1)Nc1ccnn1Cc1ccccc1Cl 12916299 BRYQJMJJIYUDED-UHFFFAOYSA-N 380.879 3.582 0 40 GHAB COC(=O)/C=C/c1ccc(OCC(=O)N[C@H](c2ccccc2)C(C)C)c(OC)c1 12919467 VQFYBUHQRHITAC-BWSGXRDBSA-N 397.471 3.774 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NCCC2=CCCCC2)cc1 13022909 KNUGZLUBTLAYPV-NTCAYCPXSA-N 390.549 3.737 0 40 GHAB CC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3nnc(-c4ccccc4)o3)C2=O)cc1 13039379 HTBFRVAUCPNZNP-JOCHJYFZSA-N 390.443 3.827 0 40 GHAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)CCC(=O)c1ccccc1 14404724 RNQFKDVNUXNCQW-UHFFFAOYSA-N 390.443 3.880 0 40 GHAB Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)n1 14683667 XCIIDLWICNGNPF-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)c(C)c1 15042427 XFEALQKIGIZPAY-UHFFFAOYSA-N 395.503 3.607 0 40 GHAB O=C(NC1CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 15344718 NHGKOCRJXFDYSR-UHFFFAOYSA-N 376.453 3.689 0 40 GHAB CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1 15421175 LXVWHYGCIQSTAA-UHFFFAOYSA-N 393.874 3.860 0 40 GHAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)n(-c2nc3ccc(F)cc3s2)n1 16851153 VKQCMHXWKYYATQ-UHFFFAOYSA-N 396.403 3.911 0 40 GHAB O=C(NC1CCCCC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 17357271 XLJZGTSOAVQGRR-UHFFFAOYSA-N 376.453 3.689 0 40 GHAB O=C(CCc1cccs1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 18824090 PSKMJJAGOXKHNA-UHFFFAOYSA-N 392.546 3.884 0 40 GHAB C[C@H](NC(=O)COc1ccc(Cl)cc1C(N)=O)c1cccc2ccccc12 19042958 VINYNGBUHWYSRX-ZDUSSCGKSA-N 382.847 3.848 0 40 GHAB O=C(CCn1c(C(F)F)cc2cccnc21)N1CC[C@@]2(O)CCCC[C@H]2C1 19347134 XUIHIJAQYZPFBY-YWZLYKJASA-N 377.435 3.518 0 40 GHAB C[C@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1nc2ccccc2s1 19459852 QFLZJJPXWDADKR-LBPRGKRZSA-N 379.445 3.551 0 40 GHAB COc1ccccc1CN1CCCC[C@@H]1c1cc(O)nc(-c2ccncc2)n1 19570407 AMEZFZOSTQYMQG-LJQANCHMSA-N 376.460 3.980 0 40 GHAB Cc1cc(C(=O)N(C)Cc2nc(N3CCCC3)ncc2-c2ccncc2)cs1 19571592 DLFSLXRWCCNKJL-UHFFFAOYSA-N 393.516 3.781 0 40 GHAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 20454171 LXZOWWOXGJLKQZ-FQEVSTJZSA-N 389.455 3.826 0 40 GHAB COc1ccc(C2(CNC(=O)C(=O)Nc3ccc(F)cc3F)CCCC2)cc1 21691482 PJJDJCYALRVGSN-UHFFFAOYSA-N 388.414 3.540 0 40 GHAB O=C(Cc1c(Cl)cccc1Cl)NCc1ccccc1CN1CCOCC1 21935066 RNVTXHDTQHLDJC-UHFFFAOYSA-N 393.314 3.685 0 40 GHAB CCCn1c(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)nc2ccccc21 22324362 ANVZNRDWXICNFT-MRXNPFEDSA-N 376.460 3.976 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1-n1ccnc1C 22519509 NFPKYDUMLDGWAH-OAQYLSRUSA-N 379.460 3.663 0 40 GHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(CC)s3)ccc21 22666442 BRXXPQAPENEHLR-UHFFFAOYSA-N 378.519 3.801 0 40 GHAB O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1F 22931844 JBMIDLGHSWVWLJ-UHFFFAOYSA-N 375.875 3.626 0 40 GHAB COc1cc(F)c(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)cc1OC 26538614 IZGHRQUFRKIVQH-UHFFFAOYSA-N 395.330 3.542 0 40 GHAB CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)cc1 27748394 KGBVHSRZWJBZIB-HXUWFJFHSA-N 377.440 3.591 0 40 GHAB Cn1ccnc1[C@H](NC(=O)NCC1(c2ccccc2)CC1)c1ccccc1F 29725061 GOLDULPZNIABBX-LJQANCHMSA-N 378.451 3.680 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)COc1cccc(-c2nnco2)c1 29751846 GWTOQIBSMDFXQA-UHFFFAOYSA-N 375.787 3.567 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(N2CCCC2=O)c1 31471937 PAFDHGYORKTHPG-UHFFFAOYSA-N 393.487 3.613 0 40 GHAB CC(=O)N1CCc2cc(C(=O)N(C)Cc3ccc(Br)s3)ccc21 32206132 ZZLPKYWMCTUSBG-UHFFFAOYSA-N 393.306 3.692 0 40 GHAB Cc1c([C@H](C)NC(=O)NCCOc2ccccc2)cnn1-c1ccc(F)cc1 32803589 JIOBIFYPAMIENS-HNNXBMFYSA-N 382.439 3.759 0 40 GHAB COC[C@H](C)NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 32932057 MLDXQGLELCGYSR-JTQLQIEISA-N 384.860 3.866 0 40 GHAB Cc1cc2occ(CC(=O)Nc3cccc(S(N)(=O)=O)c3)c2cc1C(C)C 33023497 DIKFOMOANATVBY-UHFFFAOYSA-N 386.473 3.693 0 40 GHAB O=C(CCC(=O)c1cccc2ccccc12)NCCc1ccc2c(c1)OCO2 33221405 FYRRSQRVKKMXCQ-UHFFFAOYSA-N 375.424 3.890 0 40 GHAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 33226859 GSYKCSMTLAGWJR-YLJYHZDGSA-N 392.499 3.820 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2csc(Nc3ccccc3)n2)n1 35596741 VRHXSCMEHWKEJY-UHFFFAOYSA-N 388.474 3.701 0 40 GHAB Cc1nn(C)c(Cl)c1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 40040701 CEUKWZLHOIDCHO-OAHLLOKOSA-N 381.307 3.602 0 40 GHAB C[C@H](Oc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cn1)c1ccccc1 40153407 GYFFEWFMVJCSAJ-JTQLQIEISA-N 377.326 3.611 0 40 GHAB CCCNC(=O)C1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 42685480 BHCVYIWIZJNWQK-GFCCVEGCSA-N 386.323 3.559 0 40 GHAB O[C@@H](COCc1ccc(Cl)cc1)CSc1nc(-c2ccccc2F)n[nH]1 48333077 SCWBSAZUDBHIAW-AWEZNQCLSA-N 393.871 3.934 0 40 GHAB O=c1[nH]c(Cc2ccc(-n3cccn3)cc2)nc2sc3c(c12)CCCS3 55502725 HIQDLZQENBQVHP-UHFFFAOYSA-N 380.498 3.799 0 40 GHAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2ccc(O)cc2)CC1 57406107 UFLMQMYWGJIKSU-CYBMUJFWSA-N 394.302 3.848 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)c3ccccc3OC[C@H]3CCCO3)ccc12 57722420 UHKZXCBHRSXOQT-MRXNPFEDSA-N 379.412 3.912 0 40 GHAB COc1cc(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)ccc1OC(C)C 57883587 UYPLNSKAPMWWGU-UHFFFAOYSA-N 379.416 3.897 0 40 GHAB Cc1ccc(C)n1C1CCN(C(=O)Nc2nnc(-c3ccccn3)s2)CC1 58160107 NOHFXEULSDMGQJ-UHFFFAOYSA-N 382.493 3.887 0 40 GHAB CCC(CC)(CNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)N(C)C 58163328 WCEAFLVMGPOGOY-HOTGVXAUSA-N 394.535 3.681 0 40 GHAB Cc1ccc(COc2ccc(Br)cc2/C=C2/NC(=O)NC2=O)cc1 59281933 MNAQNOVWYQUYSS-OQLLNIDSSA-N 387.233 3.517 0 40 GHAB COc1c(Br)cc(Br)cc1C(=O)N1CCCCC1 59843521 WMYAFBDEPLICIW-UHFFFAOYSA-N 377.076 3.846 0 40 GHAB COc1cccc(-c2nc(C(=O)N[C@H](C)C(=O)O)cc3c2[nH]c2ccccc23)c1 61999367 OGISDZAPNRRFBO-GFCCVEGCSA-N 389.411 3.595 0 40 GHAB biogenic CSc1nc2cc(C)n(CC(=O)Nc3cccc(C)c3)c2c(=O)n1CC(C)C 67319946 OJXFUUUUTLDFRF-UHFFFAOYSA-N 398.532 3.831 0 40 GHAB O=C(Nc1ccsc1C(=O)Nc1ccc(F)c(Cl)c1)c1cnccn1 67336020 PJZMMHRDTNDVSN-UHFFFAOYSA-N 376.800 3.835 0 40 GHAB Cc1ccc(OCCNC(=O)[C@@H](c2cc(Br)cs2)N(C)C)cc1 72306997 QRDRRCALPIEOEH-MRXNPFEDSA-N 397.338 3.617 0 40 GHAB Cc1nnsc1-c1nnc2sc(-c3cccc(C(F)(F)F)c3F)nn12 72406060 APSVNNWIOYRMDT-UHFFFAOYSA-N 386.359 3.838 0 40 GHAB O=C([C@H]1CC(c2ccc(Cl)s2)=NO1)N1CCc2[nH]c3ccccc3c2C1 84593412 MYIKRGBCLIHOBI-MRXNPFEDSA-N 385.876 3.961 0 40 GHAB COc1cccc(C(=O)OC2CN(c3nc4c(C)ccc(C)c4s3)C2)c1OC 90608023 FGXDLBWSTXLOGU-UHFFFAOYSA-N 398.484 3.976 0 40 GHAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC1CC(C)(C)CC(C)(C)C1 95464377 RFDWAINOUMFMTQ-OAHLLOKOSA-N 380.554 3.852 0 40 GHAB COc1ccc([C@H](N)c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)cc1OC 95533895 DCAITSWQYFWDFT-FQEVSTJZSA-N 396.491 3.747 0 40 GHAB CC(C)(C)OC(=O)NC1CCN([C@H](C(=O)O)c2ccc3ccccc3c2)CC1 95635349 XJUSPBLWXFRCRT-IBGZPJMESA-N 384.476 3.955 0 40 GHAB O=C(O[C@H]1CCOC1=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 95955556 RUJYNNLLJVASEI-HNNXBMFYSA-N 395.180 3.853 0 40 GHAB COC(=O)c1nc(NC(=O)c2n[nH]c3c2COc2ccccc2-3)sc1C(C)C 96223628 QBTZLCXPGSZHEZ-UHFFFAOYSA-N 398.444 3.588 0 40 GHAB Cc1nc(-c2ccccc2)nc2c1COC[C@]21CCN(C(=O)c2ccccc2)C1 96244660 ZHXXJRWRVQUETD-XMMPIXPASA-N 385.467 3.766 0 40 GHAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 100664281 OLVATNZGYMJPKK-VXAPCQRLSA-N 398.462 3.805 0 40 GHAB CCCC(=O)N1[C@H]2CC[C@H]1c1cnc3cc(-c4ccc(OC)cc4)nn3c1C2 100724642 IPZHWAJJGHNWQJ-KXBFYZLASA-N 376.460 3.793 0 40 GHAB COCc1nn2c(O)cc(CCc3c(C)noc3C)nc2c1-c1ccc(C)cc1 100776325 DTRSMUPBLDXRHB-UHFFFAOYSA-N 392.459 3.947 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)c1 107613816 ZVJLVKRVEAFTHH-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220475739 YBYSMSAPYPPOGG-CQSZACIVSA-N 378.469 3.742 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccccc1 223800178 RJSHXAHOIMAUSX-QGZVFWFLSA-N 386.467 3.538 0 40 GHAB CCCc1ccc(OCCNS(=O)(=O)Cc2c(F)cccc2Cl)cc1 224182438 DZUCHCVSQHDZPX-UHFFFAOYSA-N 385.888 3.930 0 40 GHAB Cc1ccc(OCCNC(=O)COc2ccc(Br)cc2)cc1C 224240996 DJMBJCMXGZFVRA-UHFFFAOYSA-N 378.266 3.640 0 40 GHAB CCCCOc1ccc(C(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1 224352468 HUJBBCSWJGQTJZ-UHFFFAOYSA-N 383.496 3.574 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1 225012653 GSIMVTFTNZQOMI-OALUTQOASA-N 382.504 3.706 0 40 GHAB Cc1noc([C@H]2CN(C(=O)c3cccc(-n4cccn4)c3)C[C@H]2c2ccccc2)n1 240067982 SGGYPAFZCJISJE-SFTDATJTSA-N 399.454 3.587 0 40 GHAB COCCOc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)cc1 257225766 FHSAIRJELVKWNK-MYRUNHTGSA-N 387.520 3.730 0 40 GHAB O=C(NCc1cccnc1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257277391 NXUHCSWAYKIKIV-UHFFFAOYSA-N 387.483 3.799 0 40 GHAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ccccn1)[C@@H]2Cc1ccccc1 257321148 WAGTZBDBVGOZGJ-WGNYYXNJSA-N 375.516 3.780 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCCc2cccc(C)c2)[C@@H]1c1ccc(OC)cc1 257325218 WRZHBEKZCJMEHP-GGAORHGYSA-N 394.515 3.662 0 40 GHAB Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 408674266 YWTJKKQEZHNOIA-ZCLUNYJNSA-N 386.451 3.867 0 40 GHAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1cc2c(cc1Cl)OCO2 408809984 HYWMGYZDYWXVGV-UHFFFAOYSA-N 377.804 3.971 0 40 GHAB Cc1cccc(C(=O)NCc2nnc(SCc3ccccc3Cl)n2C)c1 409345952 LWJUAJCHEMYPAX-UHFFFAOYSA-N 386.908 3.999 0 40 GHAB C[C@H]1CCC[C@]1(O)CNc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 549262794 PKRRFLFXUIEUCV-ZSEKCTLFSA-N 395.532 3.990 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1 575611393 VCJSSOQGSLJKQM-AWEZNQCLSA-N 397.905 3.982 0 40 GHAB NS(=O)(=O)c1ccc2c(c1)[C@@H](NCCc1cc(Cl)cc(Cl)c1)CCC2 581161413 YCBSXRGCAFWLSV-SFHVURJKSA-N 399.343 3.851 0 40 GHAB CCOc1ccccc1C(=O)N1CCC[C@]2(CCN2Cc2cnc(C)s2)C1 585101780 GDRIGBGNPMKHSL-NRFANRHFSA-N 385.533 3.731 0 40 GHAB Cc1ccncc1CC(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 585108314 CGFUGQJVHQYVNL-UHFFFAOYSA-N 394.393 3.653 0 40 GHAB C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1Cc1ncccc1C(=O)O 629378409 SCIHCHFEKPRVSD-GXTWGEPZSA-N 375.266 3.920 0 40 GHAB C[C@H]1OC2(CNC(=O)OCC3c4ccccc4-c4ccccc43)CC1(C(=O)O)C2 1536219807 FZWVYGWIGBKFIO-YCJKGERQSA-N 393.439 3.547 0 40 GHAB COc1cc(S(=O)(=O)Oc2ccccc2Cl)ccc1Br 1775977178 GPAPNWVOXUQSQE-UHFFFAOYSA-N 377.643 3.879 0 40 GHAB CCOc1ccc(C(=O)NCCc2ccc(-c3cnn(C)c3)s2)cc1OCC 1889277380 AWSSCHPLIJHYDV-UHFFFAOYSA-N 399.516 3.919 0 40 GHAB Cc1cc2c(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)nccn2n1 2298139596 RLRYLMNBPCXENO-UHFFFAOYSA-N 392.381 3.984 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)c3ccccc3F)cc2c1 790372 KTFXZTKNETXHMT-GOSISDBHSA-N 394.446 3.797 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2C)n1C 899405 CZAZUYYWFPNMRM-UHFFFAOYSA-N 382.489 3.838 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(OC)c(OC)c1 904684 GWSYNDNTAGPPHM-UHFFFAOYSA-N 398.488 3.713 0 40 GHAB O=C1C2(CCC13COC(c1ccccc1)OC3)COC(c1ccccc1)OC2 3173251 NJWVDZLGOXEAKD-UHFFFAOYSA-N 380.440 3.813 0 40 GHAB Cn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccncc1 3274257 VAPIKFDEUOSMRI-UHFFFAOYSA-N 394.287 3.915 0 40 GHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 3331733 FKZFNLBFFLXECU-UHFFFAOYSA-N 377.444 3.901 0 40 GHAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(C(=O)c2ccccc2)cc1 3489202 ZVAHOYCQWBKCPT-UHFFFAOYSA-N 385.419 3.664 0 40 GHAB CCCc1nc(N2CCN(C)CC2)c2sc(=S)n(-c3ccccc3)c2n1 4192010 LLLKMEHFVJSICA-UHFFFAOYSA-N 385.562 3.916 0 40 GHAB CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccccc1F 4814717 WDAJDNMGBIKEKK-UHFFFAOYSA-N 391.497 3.908 0 40 GHAB CCc1ccc(N2C(=O)C[C@@H](c3ccc(OC)cc3OC)C3=C2COC3=O)cc1 4944717 OPMBKLFHXOPVGQ-SFHVURJKSA-N 393.439 3.598 0 40 GHAB COc1cc(OC)cc(OCC(=O)Nc2ccc(Br)cc2F)c1 5476702 DRGZLPHYKDQYHW-UHFFFAOYSA-N 384.201 3.623 0 40 GHAB O=S(=O)(Nc1ccn(Cc2ccccc2Cl)n1)c1ccc(F)c(F)c1 6502394 XSYLKUYOIPYIED-UHFFFAOYSA-N 383.807 3.664 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2ccccc2C(=O)O)cc1 6563520 SEHNOVPUFVWLFX-UHFFFAOYSA-N 386.473 3.574 0 40 GHAB CCOc1ccc(-c2cc(C(=O)N3CCC(N4CCCCC4)CC3)[nH]n2)cc1 6942466 APRKDJAZLNXKMZ-UHFFFAOYSA-N 382.508 3.566 0 40 GHAB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 6961495 HDPKIDVUJZMWHL-RIYZIHGNSA-N 383.835 3.631 0 40 GHAB O=S(=O)(Nc1nc2ccccc2nc1N1CCCC1)c1ccccc1Cl 7051787 URPOPPBLIUFRSJ-UHFFFAOYSA-N 388.880 3.684 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(CN3CCCC3)cc2)nc2ccccc21 7154100 BRGQGHZKGKEJIK-UHFFFAOYSA-N 380.517 3.900 0 40 GHAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(N2CCCC2)cc1 7907029 YXTUNBSVNGVCAL-HXUWFJFHSA-N 399.560 3.968 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cncc(Br)c1 8009534 KEALGRQQSDMWLZ-UHFFFAOYSA-N 399.292 3.919 0 40 GHAB Cc1nn(C)c(C)c1/C=C/C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 8036383 HKRMGEWQXZHTET-OUKQBFOZSA-N 377.492 3.511 0 40 GHAB O=C(CN1CCCSc2ccccc21)Nc1ccc(N2CCCC2=O)cc1 8159771 SYJZLFAKMLJCEK-UHFFFAOYSA-N 381.501 3.754 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCc2ccccc21 8278428 UJQIBYBLELSUGP-LJQANCHMSA-N 378.472 3.574 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 8414211 CPYZAJFIOGUTCM-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB COc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)ccc1OC(C)C 8708085 HZDVNODCBPLEBR-UHFFFAOYSA-N 388.489 3.774 0 40 GHAB CC(=O)N[C@H](C(=O)Nc1nc(-c2ccc(Br)cc2)cs1)C(C)C 8778118 BGRNWXFDTJLEIB-AWEZNQCLSA-N 396.310 3.672 0 40 GHAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3nc4ccc(F)cc4s3)n2)cc1 8868391 FXOVHLHQJMFKLU-UHFFFAOYSA-N 380.404 3.542 0 40 GHAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nccs1 8946229 HXGFENYVIRSBQD-UHFFFAOYSA-N 387.534 3.712 0 40 GHAB Cc1ccccc1CN1CCC(C(=O)NCCCN2CCc3ccccc32)CC1 9062548 FJWRKTKQKIHWIC-UHFFFAOYSA-N 391.559 3.776 0 40 GHAB COc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)nn3C)nc12 9200579 KKROAMXIIQCPRV-UHFFFAOYSA-N 393.472 3.589 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2cnc3ccccc3n2)C1 9319821 HEGYCXMUDVHSQA-UYAOXDASSA-N 388.515 3.984 0 40 GHAB CCOc1cc(CNCc2ccco2)ccc1Oc1nnnn1-c1ccccc1 9356197 POZURJQYMAGWTM-UHFFFAOYSA-N 391.431 3.736 0 40 GHAB COc1ccc(Cc2nc3c4c(C)c(C)n(-c5cc(C)ccn5)c4ncn3n2)cc1 9418354 QCWLHTBWKVXIGA-UHFFFAOYSA-N 398.470 3.988 0 40 GHAB COc1ccc(CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cc1F 9883081 DRBYKKOHEPYGQL-QFIPXVFZSA-N 378.403 3.955 0 40 GHAB Nn1c(COc2ccccc2F)nnc1SCCOc1ccc(Cl)cc1 9884896 GMOPPHIBFYUIDI-UHFFFAOYSA-N 394.859 3.535 0 40 GHAB CCCn1cc(C(=O)Nc2cccc(C)n2)c2nn(-c3ccccc3)c(=O)c-2c1 10062674 PRKMRPOYQGNWPN-UHFFFAOYSA-N 387.443 3.505 0 40 GHAB COc1ccc(Cl)cc1NC(=N)Nc1nc(C)c(Cc2ccccc2)c(=O)[nH]1 10156490 SAXYUIKZDCZESY-UHFFFAOYSA-N 397.866 3.790 0 40 GHAB COc1cc(COC(=O)c2cc(Cl)c(N)cc2OC)ccc1OC(F)F 10551089 TVGPQZZNAMXPIX-UHFFFAOYSA-N 387.766 3.898 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3F)o2)cc1 11648653 WAKIHHFSJBLSNP-UHFFFAOYSA-N 387.436 3.847 0 40 GHAB COc1ccc2nc(-c3cccc(NC(=O)Cc4ccc(F)cc4)c3)cn2n1 11693407 MWMPCVGVWQUFSU-UHFFFAOYSA-N 376.391 3.725 0 40 GHAB O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1ccc2c(c1)OC(F)(F)O2 11884793 YMHIMXAVIGTJFX-UHFFFAOYSA-N 396.419 3.590 0 40 GHAB COC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)nc1C 11915651 RELSRYIZFPDTRO-UHFFFAOYSA-N 375.381 3.593 0 40 GHAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)C3CCCC3)CC2)on1 12156546 HQTAPRPLWAYXBD-UHFFFAOYSA-N 395.507 3.911 0 40 GHAB CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 12293690 GOXDKFVCTRRDGZ-YADHBBJMSA-N 397.515 3.778 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccccc3F)o2)cc1 12754708 KCVLISVRXNTGIZ-UHFFFAOYSA-N 395.434 3.819 0 40 GHAB Cc1csc(-c2ccc(OCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2)n1 12757046 WRIAIUOBBPDSIE-UHFFFAOYSA-N 395.484 3.944 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)N1CCC(c2ccc(O)cc2)CC1 12767187 OUHQSOKLWZCVHS-UHFFFAOYSA-N 377.444 3.606 0 40 GHAB C[C@@H]1CCc2sc(C(=O)Nc3ccc(F)c(NS(C)(=O)=O)c3)cc2C1 12788466 CPOYVVZMPNNXSL-SNVBAGLBSA-N 382.482 3.636 0 40 GHAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)cc1F 12903975 SBRCDTQPXVDMBK-IMBBRHANSA-N 382.435 3.617 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)N(C)Cc2cccc(Cl)c2)c1 12979844 IELHADHZUYPNKV-UHFFFAOYSA-N 386.908 3.854 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 12986871 HYVNRIAPXUULGL-ZRDIBKRKSA-N 378.881 3.567 0 40 GHAB CCOc1ccccc1C(=O)NCC(=O)N[C@H](C)c1ccc2ccccc2c1 13019391 ULVPNYVNNNJUTP-MRXNPFEDSA-N 376.456 3.846 0 40 GHAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2sc3ccccc3c2Cl)C1=O 13100247 NYNUNUMBWSZEIB-IBGZPJMESA-N 399.859 3.667 0 40 GHAB Cc1cccc(Cc2cnc(NC(=O)CNC(=O)c3ccc(F)cc3)s2)c1 14255389 TVKHWKLQOAFKGT-UHFFFAOYSA-N 383.448 3.550 0 40 GHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@@H](NC(N)=O)c1cccs1 14379072 HNZJRCWGNQFPTC-CYBMUJFWSA-N 385.411 3.525 0 40 GHAB COc1ccc(-c2cc(-c3nc(-c4ccc(OC)c(OC)c4)no3)[nH]n2)cc1 15732370 BJKPJHCIZUTSOI-UHFFFAOYSA-N 378.388 3.820 0 40 GHAB Cc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)[nH]1 16841859 UZJXHFPCLUNADX-UHFFFAOYSA-N 390.468 3.957 0 40 GHAB NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccc(F)c2)C1 19348469 RFVZWGVMJCYMRZ-DEOSSOPVSA-N 389.474 3.808 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCN(c3ccccn3)C2)c(OC)c1 19552086 IBWZRUFVUKRAMN-YLJYHZDGSA-N 395.503 3.679 0 40 GHAB CN(C)Cc1cc([C@H]2CCCCN2C(=O)CCCc2ccc(F)cc2)nn1C 19709173 PJFWTXPPGDVTCW-OAQYLSRUSA-N 386.515 3.697 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)N1CCc2nc(-c3ccc(F)cc3)sc2C1 19719745 KSPVSQGZLXLITH-UHFFFAOYSA-N 396.443 3.919 0 40 GHAB CCOc1ccc(CCC(=O)NCCCN2CCc3ccccc32)cc1OCC 20043733 HNOXTSFUSYGAIX-UHFFFAOYSA-N 396.531 3.986 0 40 GHAB Cc1c(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 21933049 ZFMRPHPXOGHFDZ-AWEZNQCLSA-N 391.475 3.550 0 40 GHAB O=C(CN1CCCN(Cc2ccc(F)cc2)CC1)Nc1ccccc1Cl 22850958 GCLPOSAICQZHEG-UHFFFAOYSA-N 375.875 3.626 0 40 GHAB O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 23024798 NKVZIQOGWKBURX-UHFFFAOYSA-N 398.528 3.605 0 40 GHAB O=C(NCCN1CCOCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 23718712 WOGLHSWMKYUZGH-UHFFFAOYSA-N 390.936 3.694 0 40 GHAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN(Cc1cccnc1)C1CC1 24574263 YXPJZHDHQRLXMA-UHFFFAOYSA-N 376.243 3.607 0 40 GHAB O=C(c1cccc(OC(F)F)c1)N1CCN(C(=O)c2ccccc2Cl)CC1 24775652 YOTORQRYOGGXHU-UHFFFAOYSA-N 394.805 3.540 0 40 GHAB CCOc1ccc([C@H]2CCCN2C(=O)CN2C(=O)CCOc3ccccc32)cc1 24842526 VUKQFHCWFAPSKS-LJQANCHMSA-N 394.471 3.565 0 40 GHAB Cc1csc2nc(CSc3nnc(Nc4ccccc4)s3)cc(=O)n12 25188406 TXEVHXYUCCSEPG-UHFFFAOYSA-N 387.515 3.952 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c1 26838010 OXXPWPKQUPDPEF-NSHDSACASA-N 387.379 3.827 0 40 GHAB O=C(Cc1csc(-c2ccco2)n1)NCc1ccc(Cn2ccnc2)cc1 30217026 DYXUQPUFFWZXSC-UHFFFAOYSA-N 378.457 3.507 0 40 GHAB C[C@@H](NC(=O)NCc1cccnc1OC1CCCC1)c1ccc2c(c1)OCCO2 31127668 RGHSQKNIWOUBMN-OAHLLOKOSA-N 397.475 3.735 0 40 GHAB COc1cc(CNC(=O)c2ccccc2OC)ccc1OCc1cccnc1 31712133 RUJSYASTKKZIHK-UHFFFAOYSA-N 378.428 3.608 0 40 GHAB CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cc(Cl)ccc21 32091957 GJFHXHONSAJRCE-FQEVSTJZSA-N 378.819 3.780 0 40 GHAB COc1cccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4F)cnc3c2)c1 32097238 XUOHWWGANKGBOY-UHFFFAOYSA-N 389.386 3.786 0 40 GHAB CCCn1nc(C(=O)OCc2csc(Nc3ccc(C)cc3)n2)ccc1=O 32708092 CKCJOVKAAIDMRZ-UHFFFAOYSA-N 384.461 3.519 0 40 GHAB COc1ccc(-c2csc3ncnc(NCCC(=O)N4CCCC4)c23)cc1 32717239 OETRERMNLRGGRO-UHFFFAOYSA-N 382.489 3.791 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 32753808 XEPQGHHWNBFJNP-UHFFFAOYSA-N 399.224 3.870 0 40 GHAB CCc1oc2ccccc2c1CN(C)C(=O)CN1C(=O)CCOc2ccccc21 32778200 VIFMTOSXIYVXSA-UHFFFAOYSA-N 392.455 3.769 0 40 GHAB CC(C)c1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 32859815 UXJVLBGJJUSUDH-MRXNPFEDSA-N 393.487 3.646 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCc3ccccc32)c1 32913440 XKFIFFCIQHWGHU-UHFFFAOYSA-N 379.865 3.658 0 40 GHAB O=C(CSc1cc(NCc2ccc(Cl)cc2)ncn1)NCc1ccco1 33301523 AJRBMCNIZXWIBA-UHFFFAOYSA-N 388.880 3.744 0 40 GHAB Cc1nc2ccc(NC(=O)c3ccncc3)cc2c(=O)n1Cc1ccc(F)cc1 35316025 FVVBMCLTAYGWLP-UHFFFAOYSA-N 388.402 3.540 0 40 GHAB O=C(NCCNC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccco1 40051115 FMYMYCMKKUQKGH-UHFFFAOYSA-N 391.452 3.716 0 40 GHAB CN(CCOc1ccccc1F)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 40104584 PJOMTUJKMUAUJQ-UHFFFAOYSA-N 385.439 3.604 0 40 GHAB C[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1ccccc1C(F)(F)F 40105990 ZQJKBMOZLBSDLR-ZDUSSCGKSA-N 385.407 3.672 0 40 GHAB CCn1c(NC(=O)c2ccc(OCc3nccn3C)cc2)nc2ccccc21 40119818 LYMPBPYPXLOZHX-UHFFFAOYSA-N 375.432 3.621 0 40 GHAB CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCCCc3ccccc32)cc1 40133953 IYZHKEMSLOFCFP-UHFFFAOYSA-N 386.517 3.699 0 40 GHAB CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1S(C)(=O)=O 43927947 SJITWKYVWVVBPH-UHFFFAOYSA-N 386.395 3.773 0 40 GHAB CC(=O)c1cccc(NC(=O)/C=C/c2ccc(I)o2)c1 45826964 SBTKMHZGGSBGCZ-SOFGYWHQSA-N 381.169 3.739 0 40 GHAB CN(Cc1ccc2ccccc2c1)Cn1ncc2cn(-c3ccccc3)nc2c1=O 48340267 IVUDDNARHFNIEP-UHFFFAOYSA-N 395.466 3.825 0 40 GHAB Cc1c(C(=O)N2CCN(CCc3ccccc3)CC2)oc2c1C(=O)CC(C)(C)C2 48341779 AMYFNQMAHFMCGK-UHFFFAOYSA-N 394.515 3.744 0 40 GHAB CCCn1c(SCc2csc(-c3ncccn3)n2)nnc1-c1ccncc1 48367030 WFVSSZAMNDZVEP-UHFFFAOYSA-N 395.517 3.956 0 40 GHAB Brc1cccc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1 49547498 QPLHGXUWTGXZLP-UHFFFAOYSA-N 392.326 3.991 0 40 GHAB CCOc1ccc([C@H]2CCCN2CN2C(=O)NC3(CCCCCC3)C2=O)cc1 52584172 FDUOHTOHQHSLEZ-LJQANCHMSA-N 385.508 3.825 0 40 GHAB O=C(c1cnc2sccn2c1=O)N(Cc1ccccc1)Cc1ccccc1 57010988 YVALWUUOGVSFRC-UHFFFAOYSA-N 375.453 3.599 0 40 GHAB Cc1ccc(-n2c(SCc3nnc(C)n3C)nnc2-c2ccncc2)cc1C 58155972 VHPJWGYQGVOJJU-UHFFFAOYSA-N 391.504 3.675 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)NCc2ccccc2CN2CCCC2)c1C 58160755 QNZUVWNYVVPSPM-KRWDZBQOSA-N 381.520 3.791 0 40 GHAB CCOc1c(OC)cc(CNC(=O)N(CC)CCC(F)(F)F)cc1OC 58245756 MWUDUICWIHVJPO-UHFFFAOYSA-N 378.391 3.586 0 40 GHAB CC(C)CN1CCC(NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 58429019 IYAOTZFZHODFSF-QGZVFWFLSA-N 392.975 3.586 0 40 GHAB COc1ccc2oc(C(=O)N3CCN(c4ccccc4OC)CC3)c(C)c2c1 60389466 MJHSNLDXRDEXBI-UHFFFAOYSA-N 380.444 3.721 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 61972698 CZFQCSSLSWFQKV-KPZWWZAWSA-N 394.452 3.681 0 40 GHAB Cc1cc(Cc2cnc(NC(=O)c3cnsn3)s2)ccc1Br 65476612 WUZPIPUAVMQIEO-UHFFFAOYSA-N 395.307 3.909 0 40 GHAB COc1ccc(C2=N/C(=C/c3ccc(F)c(Br)c3)C(=O)O2)cc1 65611421 SGIRMGOIQHXYJR-OQLLNIDSSA-N 376.181 3.941 0 40 GHAB CCc1nc2c(sc3ncccc32)c(=O)n1CC(=O)Nc1cccc(C)c1 67246035 QNVBUUPCDUVRAE-UHFFFAOYSA-N 378.457 3.516 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccco3)[nH]c2=O)cc1OC 67829246 GAUZCGAGVWHYCO-CYBMUJFWSA-N 382.416 3.533 0 40 GHAB O=C(NC[C@@](O)(Cc1ccccc1)c1ccccc1)c1ccc(-n2cccn2)cc1 72304409 CQGKYRBAOQSMMW-VWLOTQADSA-N 397.478 3.733 0 40 GHAB COc1ccc(C2(CNC(=O)c3ccc4ccn(C)c4c3)CCOCC2)cc1 72324966 QEEVRWPWUJAYBC-UHFFFAOYSA-N 378.472 3.665 0 40 GHAB biogenic CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)c3oc(C)nc3C)n2)s1 72375378 ZQGJNQHJDCSOCG-CQSZACIVSA-N 398.492 3.821 0 40 GHAB Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2CC(=O)N2CCCC2)n1 72376839 RBMSNULJAFLWNC-SFHVURJKSA-N 399.926 3.529 0 40 GHAB CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(OC)cc1F 89977230 RLASQNUKLWHPLS-KRWDZBQOSA-N 386.467 3.667 0 40 GHAB O=S(=O)(Nc1ccc(I)cc1)[C@@H]1CCc2ccccc21 95868318 YLZYNZIOBYTZNZ-OAHLLOKOSA-N 399.253 3.720 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3ccnc(N(C)C)c3)sc2C)cc1OC 95957114 AEFNPBHLCPRQAC-UHFFFAOYSA-N 398.488 3.849 0 40 GHAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(C(N)=O)n1 95972198 IIJTZZVCFGJDFT-UHFFFAOYSA-N 391.214 3.703 0 40 GHAB COc1ccc(CN2CCC[C@]3(CCC(=O)N3Cc3ccncc3)CC2)cc1 96047541 JQEVEOCPYBYXCI-QHCPKHFHSA-N 379.504 3.638 0 40 GHAB O=C(CNC(=O)OCc1ccccc1)NCc1ccccc1-c1ccsc1 96383451 MPUPGOMQRWWJOE-UHFFFAOYSA-N 380.469 3.958 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N1CCC(CO)CC1 105261550 MHAALXLCHMGNGA-ZDUSSCGKSA-N 377.485 3.733 0 40 GHAB CCc1ccc(N(CCCC(=O)Nc2ccccc2CC)S(C)(=O)=O)cc1 113962052 UJOXCBGEFMUKON-UHFFFAOYSA-N 388.533 3.996 0 40 GHAB Cc1c(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cnn1-c1ccncc1 126435274 ZRSFVAVCZNBPAV-UHFFFAOYSA-N 395.850 3.608 0 40 GHAB O=C(CSc1ccc(F)cc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206786202 ICKKWYORYSSASZ-AWEZNQCLSA-N 399.413 3.727 0 40 GHAB COc1cc(OC)cc(OCC(=O)NCCCc2cccc(OC(C)C)c2)c1 218896192 UMOXZOVCBGPQOX-UHFFFAOYSA-N 387.476 3.619 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C)cc1 220147113 BXUWJAWVEIDVFQ-XLIONFOSSA-N 388.533 3.725 0 40 GHAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 223625089 IDUASIWKDKXMTI-LEWJYISDSA-N 392.528 3.536 0 40 GHAB COc1cc(C)c(S(=O)(=O)N[C@H](C)COc2ccccc2)cc1C(C)C 223898854 IEYITBYPBFXTAX-MRXNPFEDSA-N 377.506 3.873 0 40 GHAB CCC(=O)N(Cc1cccc(OC)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224640838 PVKUANZBLJOMRG-OAQYLSRUSA-N 396.531 3.960 0 40 GHAB COC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224938508 SZSKYRGFGNJHEE-AWEZNQCLSA-N 396.443 3.791 0 40 GHAB Cn1c(=O)sc2cc(NC(=O)COc3cccc(C(F)(F)F)c3)ccc21 225073894 VEDMZGAIPKPTLE-UHFFFAOYSA-N 382.363 3.636 0 40 GHAB CC[C@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccc(S(C)(=O)=O)cc1 225092285 IHUCWFYOIZVKSR-IBGZPJMESA-N 389.517 3.607 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1 225177229 QDFGSCFDNOYNMU-UHFFFAOYSA-N 396.896 3.631 0 40 GHAB O=C(Cc1ccccc1Cl)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225731842 UGLJTTNOMHBVRU-CQSZACIVSA-N 384.785 3.976 0 40 GHAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)COc4ccccc4)CC3)n2n1 257203613 AQWDITLEJJTOPY-IYARVYRRSA-N 378.476 3.507 0 40 GHAB O=C(N1CCC[C@H](Cc2ccccn2)C1)C(O)(c1ccccc1)c1ccccc1 257206494 BDSIKIFKGVQTON-HXUWFJFHSA-N 386.495 3.799 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2ccc(C)s2)CC1 257298275 RKZZIWIDGKNLSH-ZWOKBUDYSA-N 385.533 3.865 0 40 GHAB Cc1ccc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1Cl 408627357 ZNCHOERWTSOKNM-UHFFFAOYSA-N 386.945 3.644 0 40 GHAB Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 518635042 HYASCPSINLHCHI-UKRRQHHQSA-N 388.880 3.913 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 653534579 RSPUGXILVXQSIU-OAUYIBNBSA-N 384.480 3.746 0 40 GHAB NC1(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC2(CCC2)C1 662727724 BJPDEBCHJPTNFH-UHFFFAOYSA-N 396.362 3.736 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)c1 1565542046 GFHGTAAXTODCNJ-UHFFFAOYSA-N 391.515 3.743 0 40 GHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3c(C(C)C)noc3C)C2)cc1C 2037913123 UNNYLQKBBJIPFI-QFIPXVFZSA-N 386.492 3.769 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1OC 787075 NXOBQDGGXWNEJX-UHFFFAOYSA-N 398.488 3.713 0 40 GHAB O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 796872 QLYGPGCVOBDNES-CYBMUJFWSA-N 396.871 3.519 0 40 GHAB COc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 806156 WLBQYFDGNLDPKU-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB O=C1OC(c2cc(I)ccc2Cl)=N/C1=C/c1ccco1 865433 NWBZHAWDUPMYQP-KPKJPENVSA-N 399.571 3.882 0 40 GHAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1cccc(F)c1 1053410 ZRPZUBTZDPFYSY-OVCLIPMQSA-N 390.798 3.637 0 40 GHAB Nc1ccc(Br)cc1-c1nc(N)c2cc(Br)ccc2n1 1762622 NZVFZLDVSPIMFH-UHFFFAOYSA-N 394.070 3.986 0 40 GHAB Cc1ccc([C@H](NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 2227145 HVERMCHFBRXIGA-VGOFRKELSA-N 398.462 3.885 0 40 GHAB O=c1c2c(nc(NCCO)n1C1CCCC1)-c1ccccc1CC21CCCC1 2273358 JOEDJAPJUTUEMP-UHFFFAOYSA-N 379.504 3.798 0 40 GHAB CCN1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(F)cc1 2693638 AXJHXVBMEUSTFK-UHFFFAOYSA-N 395.503 3.910 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 3021360 BOBWSCHGGBZOGO-UHFFFAOYSA-N 396.871 3.906 0 40 GHAB COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)O)c2)cc1 3270825 XLEAUFBAKRTYGQ-UHFFFAOYSA-N 397.452 3.789 0 40 GHAB C[C@H](OC(=O)c1ccc2ccccc2c1O)C(=O)Nc1ccc2c(c1)OCCO2 3438928 XNDIJKWSMPJSGF-ZDUSSCGKSA-N 393.395 3.501 0 40 GHAB O=C(CSc1nnc(NC(=O)Cc2cccs2)s1)Nc1ccccc1 4087988 LEHYBXXVYRDTBX-UHFFFAOYSA-N 390.515 3.512 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)o2)cc1 4125483 SZGUZGZZKHHNCN-UHFFFAOYSA-N 398.488 3.984 0 40 GHAB COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)c(OC)c1 4305091 ALKNGKXNZJFMQU-FQEVSTJZSA-N 392.455 3.831 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)cc3)C2=O)cc1C 4603482 BTDUNNWVTANSIY-LICLKQGHSA-N 382.441 3.684 0 40 GHAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1 4852038 VGECIJMNBQVIAG-LBPRGKRZSA-N 388.468 3.982 0 40 GHAB CC(C)CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1cccs1 4890203 FPDLQCKGORLAFW-HNNXBMFYSA-N 394.566 3.744 0 40 GHAB CC(C)c1ccc(OCc2nnc(SCC(=O)NC3CCCC3)n2C)cc1 5977318 JLHDXONXBLEUKL-UHFFFAOYSA-N 388.537 3.668 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1=O 6507349 QSQYPDRDNABNIC-LBPRGKRZSA-N 394.349 3.585 0 40 GHAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1cccc(Cl)c1 6876195 LVUZOLYAGVGYMQ-UHFFFAOYSA-N 386.791 3.879 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2cccnc2)o1 7327315 BAAYTABOFLFYDK-UHFFFAOYSA-N 394.909 3.987 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(C(F)(F)F)c1 7407938 GZFSDOWJBOITBN-UHFFFAOYSA-N 379.306 3.954 0 40 GHAB CNC(=O)c1ccc(CN(C)C(=O)CCc2ccc(-c3ccccc3)o2)cc1 7847707 JYFDXJCLLBMGJR-UHFFFAOYSA-N 376.456 3.897 0 40 GHAB CCc1ccccc1N1C[C@H](C(=O)Oc2ccc(Br)cc2)CC1=O 7928771 SCHLLCBVMRZINL-CQSZACIVSA-N 388.261 3.970 0 40 GHAB C[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc2c(c1)CCCC2 8268303 PJENBAZVYQDLGC-INIZCTEOSA-N 378.472 3.558 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)c1nc2ccccc2c(=O)[nH]1 9718205 AQLQXBFHGOBVHD-ZDUSSCGKSA-N 375.384 3.805 0 40 GHAB O=C(Nc1ccccc1)c1ccc(Cn2cc(Br)ccc2=O)cc1 10276814 UFEDHKGKIDVUIL-UHFFFAOYSA-N 383.245 3.911 0 40 GHAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C 10354112 ULATUTQDKOSFLU-HNNXBMFYSA-N 395.246 3.899 0 40 GHAB Cc1cc(NC(=O)[C@H](C)Sc2nc(N)c3c4c(sc3n2)CCCC4)on1 10550589 VPEOPNGRGGEEBC-VIFPVBQESA-N 389.506 3.568 0 40 GHAB O[C@H]1CC2(CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)Oc2ccc(F)cc21 12329800 FDLIAMLIJIYFHF-OALUTQOASA-N 391.870 3.863 0 40 GHAB O=C(NCc1ccccc1Cl)C1CCN(c2cnc3ccccc3n2)CC1 12414715 KJNGNTLEBPVFCH-UHFFFAOYSA-N 380.879 3.816 0 40 GHAB COc1ccc([C@@H](NC(=O)Cn2c(C)cc3ccccc32)c2nccn2C)cc1 12506884 ALQYGYCKXBTKBD-JOCHJYFZSA-N 388.471 3.598 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cc1csc(-c2ccsc2)n1 12748384 WDCHQOYPJPKGQE-UHFFFAOYSA-N 392.527 3.765 0 40 GHAB COc1ccc(CN(C)CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 12912946 FGLGFQRMKIAKTC-UHFFFAOYSA-N 378.476 3.568 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c(OC)c1 12946459 NUEZYURBZMJUSW-SFHVURJKSA-N 375.490 3.846 0 40 GHAB O=C(NCCNC(=O)c1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)cc1 12980350 IMTUOFIWNBDKDJ-UHFFFAOYSA-N 387.650 3.512 0 40 GHAB CC[C@H](C)N(Cc1ccccc1)C(=O)CCn1cnc2c(C)cccc2c1=O 13011130 YNXCGDSYYQOMGA-SFHVURJKSA-N 377.488 3.922 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1OC 13568944 NALMKXGQYHLFHL-NSHDSACASA-N 389.506 3.549 0 40 GHAB CC(=O)N1CCc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc21 13696066 BOSBOAAEUNIWTR-UHFFFAOYSA-N 379.243 3.920 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715203 WQEXYQFNTOCJDQ-INIZCTEOSA-N 384.860 3.662 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(Cl)c1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715434 PNDWBQCSKKHCRW-KRWDZBQOSA-N 398.887 3.971 0 40 GHAB COc1ccccc1NC(=S)N[C@@H](C)[C@H](c1cccs1)N1CCOCC1 13878788 GNMFRKIFUKWMBP-KBXCAEBGSA-N 391.562 3.505 0 40 GHAB COCCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC 13945072 YBDYEWHHVYQPNI-UHFFFAOYSA-N 386.473 3.564 0 40 GHAB CCOc1cc(S(=O)(=O)N2CCc3ccccc3C2)c(OCC)cc1Cl 16780715 QIHWYDFOWCRHFY-UHFFFAOYSA-N 395.908 3.884 0 40 GHAB CSc1ccc(CN(C)C(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc1 17972532 RHPPHOCNAISLKR-UHFFFAOYSA-N 379.485 3.535 0 40 GHAB O=C(NCc1ccccn1)c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1 19401941 VNKAOEOWDNKTLO-UHFFFAOYSA-N 394.450 3.518 0 40 GHAB C[C@H]1Cc2cc(CCC(=O)NCCCc3nc4ccc(F)cc4[nH]3)ccc2O1 19498132 AWWPCMBCWDDEFE-AWEZNQCLSA-N 381.451 3.707 0 40 GHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccs2)C1 19591772 OWLBKHYDUPMFMJ-HSZRJFAPSA-N 391.540 3.991 0 40 GHAB Nc1ccc(C(=O)N2CCC[C@H]2c2ccc(Cc3ccc(F)cc3)cn2)cn1 19688404 BFDRBDKCUWFKDY-FQEVSTJZSA-N 376.435 3.766 0 40 GHAB CCn1c(=O)n(CC)c2cc(-c3cncn3CCCN3CCCCC3)ccc21 19719657 XXJVABQDFDRVGR-UHFFFAOYSA-N 381.524 3.582 0 40 GHAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCN(c2ccccc2OC)CC1 19901824 CVVVPKJABJVSLX-VQTJNVASSA-N 398.547 3.771 0 40 GHAB CSc1ccc([C@H](C)NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1 20030129 AASWASJDKHDEOB-LBPRGKRZSA-N 399.541 3.848 0 40 GHAB O=C(NC1CCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20491505 JPODWLYWRXNXGC-UHFFFAOYSA-N 378.881 3.813 0 40 GHAB COc1cc(OC)cc(-c2nn3c(Cc4cc(F)cc(F)c4)nnc3s2)c1 20724369 RVIGGCXNTMBZHC-UHFFFAOYSA-N 388.399 3.739 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)Oc1ccccc1F 21130316 YTOUZXKVQFZBBN-UHFFFAOYSA-N 375.215 3.755 0 40 GHAB CC(C)COc1ccc(-c2nonc2NC(=O)[C@H]2COc3ccccc3O2)cc1 21149194 SETFFGJSBLAPCJ-GOSISDBHSA-N 395.415 3.550 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)CNC(=O)C(C)(C)C)c2ccccc2)c1 21504187 DSLGXKKTIPOLJJ-FQEVSTJZSA-N 396.487 3.689 0 40 GHAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)[C@H](c1ccccc1)N1CCN(C)CC1 22584564 LDVMRSNXMJHWJZ-LMXQCQDWSA-N 395.591 3.696 0 40 GHAB Cc1cc(N2CCOCC2)ccc1NC(=O)C1(c2ccccc2)CCOCC1 25274663 AEOREJUITITPGF-UHFFFAOYSA-N 380.488 3.519 0 40 GHAB COc1ccc(-c2nc(C(=O)NC[C@H](c3ccsc3)N(C)C)cs2)cc1 25331072 VQEMGNREDQDSSR-QGZVFWFLSA-N 387.530 3.913 0 40 GHAB Cc1cccc(Cn2nccc2NC(=O)CCc2ccc3c(c2)OCCO3)c1 30526853 DDWRVPZSQUHZEF-UHFFFAOYSA-N 377.444 3.582 0 40 GHAB CC[C@H](NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccc(C)cc1 30867343 QHOGIHKJXZRTDZ-IBGZPJMESA-N 388.533 3.645 0 40 GHAB CCN(CCNC(=O)CCc1nc(-c2ccsc2)no1)c1cccc(C)c1 32841362 LCWGTICNQDDRTR-UHFFFAOYSA-N 384.505 3.682 0 40 GHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2ccccc2F)CC1 35088673 PHJKWLGEYWBQCC-DZCCDHAISA-N 392.559 3.786 0 40 GHAB CC(C)c1nc2ccccc2c2nnc(SCC(=O)NCc3ccccc3)n12 35314734 BXBAHOTZUPCKRJ-UHFFFAOYSA-N 391.500 3.809 0 40 GHAB CC(=O)c1cccc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)cc2)c1 36352959 WVJGSXRBVFGMRL-UHFFFAOYSA-N 397.434 3.900 0 40 GHAB Sc1nnc(CSc2ccc(Br)cc2)n1C[C@H]1CCCO1 36396602 MCCVSKHWLNYCTH-LLVKDONJSA-N 386.340 3.801 0 40 GHAB C[C@@H](C(=O)NCC1CCCCC1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105921 RBBZCWZTBSQDOD-LBPRGKRZSA-N 392.348 3.993 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@H](C)c2ccccc2)cs1 40130557 ZAJBYAHABJNSOT-ZDUSSCGKSA-N 383.473 3.759 0 40 GHAB COC(=O)c1ccc(NC(=O)Cn2ccc3c(Br)cccc32)cc1 40267269 FAPAYOXBJCXHGW-UHFFFAOYSA-N 387.233 3.829 0 40 GHAB O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCCN1C(=O)C1CCCCC1 48226598 QIRVKJYYNDUJHP-HNNXBMFYSA-N 399.413 3.533 0 40 GHAB CCN(CCc1ccccn1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 48313477 VTRLGVIQGJHDOH-UHFFFAOYSA-N 390.839 3.590 0 40 GHAB O=C(CCCNC(=O)c1cc(-c2ccco2)on1)Nc1cccc2cccnc12 49030668 OVLJWQHGSKPKHN-UHFFFAOYSA-N 390.399 3.632 0 40 GHAB COc1ccc(-c2nc(-c3nnn(Cc4ccc(C)cc4)c3C)no2)cc1OC 49410234 QXYPRKOPHDCEJY-UHFFFAOYSA-N 391.431 3.677 0 40 GHAB CC(C)(C)c1nc(CN2CCCc3c(NS(C)(=O)=O)cccc32)cs1 52993090 IZSVIUFQXCXOOL-UHFFFAOYSA-N 379.551 3.765 0 40 GHAB O=C1CCCN1C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 58099930 VYIOITWWJAKGBB-GOSISDBHSA-N 386.879 3.565 0 40 GHAB Cc1cnc(C(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cn1 58412343 APMKAOJUYVVEFH-UHFFFAOYSA-N 389.381 3.536 0 40 GHAB Cc1cc(CNC(=O)Cn2cccc(C(F)(F)F)c2=O)c2[nH]c(C)c(C)c2c1 58413243 CGUDWAJEMURCDB-UHFFFAOYSA-N 391.393 3.590 0 40 GHAB NC(=O)c1ccc(-c2nc(COC(=O)c3cc4c(s3)CCC4)cs2)cc1 63881046 PSHAKNIOSCWDDL-UHFFFAOYSA-N 384.482 3.816 0 40 GHAB Cc1cc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)n(-c2ccc(Cl)cc2)n1 68121173 JMPDFKQNGGSZJT-MRXNPFEDSA-N 380.835 3.899 0 40 GHAB O=C(NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)c1ccc(Cl)cc1 72311529 HLJXGZNCNFWPSV-ZDUSSCGKSA-N 387.785 3.820 0 40 GHAB O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CC1 72337774 WLCJOHSPEKBAIN-YJBOKZPZSA-N 391.487 3.901 0 40 GHAB Cc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2ccc(N)nc2)C1 72363040 AZNUYUSHJZPDME-KRWDZBQOSA-N 389.459 3.574 0 40 GHAB COc1ccc(CN2CCCC[C@@H]2c2ccnc(Nc3cncnc3)n2)cc1 72377450 XLKPZPTWSMRMSU-HXUWFJFHSA-N 376.464 3.746 0 40 GHAB Cc1cc(Br)c(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C 72414427 JTWAWRGYRFVZRT-UHFFFAOYSA-N 393.306 3.517 0 40 GHAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N[C@H](C(=O)O)c1ccccc1 80356610 GSTCJVZGJHCLNW-KRWDZBQOSA-N 386.860 3.948 0 40 GHAB CSc1nc(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c2ccccn12 83993101 HWFUAEZTYKYREK-DLBZAZTESA-N 385.464 3.845 0 40 GHAB Cc1cc(C(=O)OCc2ccccc2C(F)(F)F)ccc1N1CCNC1=O 84090479 ICVJEKVLVTZXJN-UHFFFAOYSA-N 378.350 3.900 0 40 GHAB Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)on1 84124153 OLJNUEUTBCFZDF-CQSZACIVSA-N 382.247 3.923 0 40 GHAB CC(C)[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)N1CCc2sccc2C1 89775834 KOFHAHRGXREPDS-LJQANCHMSA-N 382.485 3.996 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(F)cc(F)c2)c(C)c1 95349326 CORAYAXVKDBCBY-KRWDZBQOSA-N 376.428 3.735 0 40 GHAB N#Cc1c(NC(=O)Cc2cnn(-c3ccccc3)n2)sc2c1CCCCC2 95350653 BKUCPPJPKUBTQK-UHFFFAOYSA-N 377.473 3.651 0 40 GHAB COc1ccc(CN(Cc2nc(C)c3ccccc3n2)[C@H](CO)C(C)C)cc1 95995484 BLOQAXXVUFQVFV-JOCHJYFZSA-N 379.504 3.966 0 40 GHAB C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1 96004493 YVVNVNVTZGVOGD-GJYPPUQNSA-N 385.483 3.880 0 40 GHAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1C[C@@H]1c1ccccc1Cl 96007032 XWGSFTWNODBYNK-HMXCVIKNSA-N 398.934 3.717 0 40 GHAB CC(C)C[C@@H](C(=O)N[C@@H](C)c1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O 96118784 IQEZXHFFXAHTND-YWZLYKJASA-N 390.487 3.811 0 40 GHAB Cc1nc(-c2nc(C(=O)N3CCCC3)c3ccccn23)cn1Cc1ccccc1 96155177 CYGVEENFNDAKSX-UHFFFAOYSA-N 385.471 3.791 0 40 GHAB CCOCc1cc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccccn2)ccc1OC 100149017 UESVCGQZUGZTDR-NHCUHLMSSA-N 396.531 3.746 0 40 GHAB COc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cc(OC)ccc2OC)C3)cc1 100766761 KFBWUBPYBDNELH-PMACEKPBSA-N 397.515 3.832 0 40 GHAB Cc1ccc(-c2cc(C(F)F)nc(S[C@@H]3CC(=O)[C@@H]4OC[C@@H]3O4)n2)cc1 101065461 QJZHUDPDGNIUET-ZMSDIMECSA-N 378.400 3.565 0 40 GHAB O=C1[C@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1ccc2ccccc2c1 101197652 YYKYUBGEQZFUNX-MJGOQNOKSA-N 376.799 3.786 0 40 GHAB Cc1nc(S[C@H](C(=O)NC(N)=O)C(C)C)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 103922058 VOQBIFNUTDIVOV-WOYTXXSLSA-N 392.569 3.809 0 40 GHAB CCOC(=O)c1cn(Cc2cccnc2)c2ccc(C(F)(F)F)cc2c1=O 199787853 LZIAGUVZFFKAAQ-UHFFFAOYSA-N 376.334 3.640 0 40 GHAB Cc1cc(OCC(=O)NCCSCc2ccco2)ccc1Br 218822649 ZNZXYCIXILBDDM-UHFFFAOYSA-N 384.295 3.779 0 40 GHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 219318932 VFNVJEDTGIYGIB-GOSISDBHSA-N 381.432 3.527 0 40 GHAB CC[C@H](C(=O)Nc1ccc(F)cc1F)N(c1cc(C)ccc1C)S(C)(=O)=O 220541031 PSLZJNNINBEWMA-QGZVFWFLSA-N 396.459 3.765 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2cccnc2)c1C 222772503 JALJVLQGQOFYLW-RTWAWAEBSA-N 391.544 3.936 0 40 GHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCc1ccc(OC)cc1 222980785 VWBVJILQNFBJCL-QGZVFWFLSA-N 398.503 3.537 0 40 GHAB Cc1cc(C)cc(N(CCCC(=O)NC2CCCCCC2)S(C)(=O)=O)c1 223281986 PGMFMFXQGJWYMI-UHFFFAOYSA-N 380.554 3.689 0 40 GHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCC(C)C)c1ccccc1 223544615 XNXJKSDLRZQHHP-JOCHJYFZSA-N 382.504 3.947 0 40 GHAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCOCC2)cc1 223668075 YOLKOFKKJXUCLZ-UHFFFAOYSA-N 396.531 3.625 0 40 GHAB CN(C)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224244522 XJZBCWJRQDDGSC-UHFFFAOYSA-N 387.288 3.520 0 40 GHAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)NC1CCCCC1 225817724 AUJPCUOBTXEHBY-UHFFFAOYSA-N 378.270 3.881 0 40 GHAB COCCCNC(=S)Nc1nc(Oc2ccccc2)cc(C(F)(F)F)n1 225902456 IIEXEXLJSKLQNB-UHFFFAOYSA-N 386.399 3.611 0 40 GHAB NC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(I)c1 226333482 DPVJWJIRWNUPJI-XBXARRHUSA-N 397.187 3.508 0 40 GHAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ncccc3C)CCO2)n1 257227618 FQEASJIILFMWQN-IBGZPJMESA-N 392.459 3.525 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)ncn1 257321603 WCIGWZNKDNXVNW-HNNXBMFYSA-N 380.423 3.592 0 40 GHAB Cc1ccc(C)c(NC(=O)CN2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)c1 257338673 YYLOGUNSBPTQFW-UPVQGACJSA-N 394.515 3.692 0 40 GHAB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)Nc1ccc(F)cc1 408659811 POCUPYYIBQVUJS-LRGYGIHKSA-N 395.430 3.853 0 40 GHAB CCc1ccc(CNC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 408707640 PRTVGJGSHRQCPW-UHFFFAOYSA-N 386.495 3.814 0 40 GHAB CC(=O)NC1(c2noc(-c3ccc4nc(C(F)F)[nH]c4c3)n2)CCCCC1 546332193 JRZGLRXXOYKIQM-UHFFFAOYSA-N 375.379 3.846 0 40 GHAB Cc1nccc(O[C@H]2CCN(C(=O)NC(c3ccccc3)c3ccccc3)C2)n1 575611688 GASXHBJJQHMNJV-FQEVSTJZSA-N 388.471 3.737 0 40 GHAB CC(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2cccnc2OC(C)C)no1 585084401 WLYBGTFHJLEMIJ-SFHVURJKSA-N 378.432 3.565 0 40 GHAB O=C1[C@@H]2C[C@H](C3CCCCC3)CN2C(=O)N1[C@H]1CCO[C@@H](c2cccnc2)C1 642955488 XETCQNIZJQNNQJ-LWYYNNOASA-N 383.492 3.535 0 40 GHAB Cn1ccc(-c2noc(C3(c4cccc(OC(F)(F)F)c4)CCC3)n2)cc1=O 656029669 DQSPPDYUHQCXEM-UHFFFAOYSA-N 391.349 3.804 0 40 GHAB O=S(=O)(NCc1cc(-c2ccoc2)cs1)c1ccc2c(c1)OCCCO2 1775969756 JWUNDZJHBNQVJU-UHFFFAOYSA-N 391.470 3.648 0 40 GHAB C[C@H]1CCc2c(sc(NC(=O)c3ccccc3Br)c2C(N)=O)C1 799275 YNEHFZNKFOZSIM-VIFPVBQESA-N 393.306 3.987 0 40 GHAB CC(C)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O 846504 DSNZGSOTFNKJAI-INIZCTEOSA-N 390.361 3.965 0 40 GHAB O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 855014 PWZWYNFDEJVKKT-IZZDOVSWSA-N 385.470 3.596 0 40 GHAB O=C([C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1)N1CCOCC1 1670733 JLYFUFOHEMNAJQ-QHCPKHFHSA-N 387.479 3.565 0 40 GHAB Cc1ccc(NCc2oc(O)c(CNc3ccc(C)cc3)c(=O)c2CO)cc1 1719142 ZDXARMQBXONBAK-UHFFFAOYSA-N 380.444 3.679 0 40 GHAB CC(C)OCCCNc1ncc2c(n1)C[C@@H](c1ccc(N(C)C)cc1)CC2=O 2225533 XGAOGRIQBPUSNU-QGZVFWFLSA-N 382.508 3.682 0 40 GHAB Nn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1C1CCCCC1 2385196 WYIUYKJMBSFTSN-UHFFFAOYSA-N 383.880 3.563 0 40 GHAB CCCOC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc12 2423567 FAVODGKRVFGNMJ-UHFFFAOYSA-N 390.443 3.790 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc3ncsc3c2)c(C)n1C[C@H]1CCCO1 2628221 CCTGWSVPXDMCAZ-MRXNPFEDSA-N 398.484 3.933 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1 2628742 GYPRBYSZFLKLJR-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 3292615 ABHDMRVBPVKILW-GFCCVEGCSA-N 395.440 3.535 0 40 GHAB CCc1nc2ccccc2c(C(=O)OCC(=O)NCc2ccccc2OC)c1C 3347053 NVCKZERPURMCOV-UHFFFAOYSA-N 392.455 3.587 0 40 GHAB C[C@@H](NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1 3379247 RODZUXMJRAGKBF-OAHLLOKOSA-N 392.411 3.566 0 40 GHAB CCc1cccc2c(C(=O)CSc3nnc(-c4ccncc4)n3C)c[nH]c12 3410904 UBONFVZHIHKJBB-UHFFFAOYSA-N 377.473 3.896 0 40 GHAB aggregator Cc1nc(-c2cccnc2)sc1CCNS(=O)(=O)c1ccc(Cl)cc1 4392358 KBRJPQMYAQAJPC-UHFFFAOYSA-N 393.921 3.688 0 40 GHAB CCc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1-n1cccc1 4518604 LGCUBKPKZJDSAF-UHFFFAOYSA-N 395.410 3.703 0 40 GHAB COc1cccc(C(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)c1 4585395 MHTGTUDJVVVENF-UHFFFAOYSA-N 385.423 3.955 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3OC)n2C)cc1 4736512 PPDGCVQQOYHRJP-ZDUSSCGKSA-N 398.488 3.619 0 40 GHAB Cc1ccccc1N1C[C@H](C(=O)Nc2nnc(C3CCCCC3)s2)CC1=O 4975575 WFXCCMDBNPXXEQ-OAHLLOKOSA-N 384.505 3.886 0 40 GHAB C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)c1ccc(Br)cc1 5035366 BDTMIKOEEIYASP-LLVKDONJSA-N 389.278 3.788 0 40 GHAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc(C)s3)c2)nn1 5150728 VHSKIYMMYLEPCE-UHFFFAOYSA-N 375.475 3.713 0 40 GHAB COc1ccc(OC)c(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 5177545 WBVIVCTUPGGVGZ-ABSORMQESA-N 378.472 3.731 0 40 GHAB CCCCCCOC(=O)OCCNC(=O)[C@@H](C)OC(=O)OCCCCCC 5524006 HSMLJLDRTDMWRF-MRXNPFEDSA-N 389.489 3.958 0 40 GHAB O=C(Cc1ccccc1)Nc1ccc(C(=O)O)cc1NC(=O)Cc1ccccc1 5773233 SZTOFGZLUFFDKZ-UHFFFAOYSA-N 388.423 3.747 0 40 GHAB biogenic COC(=O)c1cc(OC)c(OC)cc1NC(=O)NC12CC3CC(CC(C3)C1)C2 6145514 FEILMLHCNIBXLW-UHFFFAOYSA-N 388.464 3.581 0 40 GHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Oc1ccc2c(c1)OCO2 6213199 QGFNAPPGQDQDEF-UHFFFAOYSA-N 376.364 3.631 0 40 GHAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)c1 6297514 PHSYRZFCBYLNCB-UHFFFAOYSA-N 391.379 3.757 0 40 GHAB CCCCOc1ccc(/C=C2\SC(=O)N(CCOC)C2=O)cc1OCC 6651773 CVXCDNTUCVZBBY-LGMDPLHJSA-N 379.478 3.947 0 40 GHAB COc1cccc(Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCS4)c1 6661345 QTLZBMUESMOFHT-UHFFFAOYSA-N 381.432 3.653 0 40 GHAB CC[C@@H](CO)NC(=S)N=P(c1ccccc1)(N(CC)CC)N(CC)CC 6859896 UAVNWVURRAFXFB-KRWDZBQOSA-N 398.557 3.672 0 40 GHAB CCc1nnc(NC(=O)c2oc3ccccc3c2CSc2ncn[nH]2)s1 6916547 WCTKTOQJAJVJSK-UHFFFAOYSA-N 386.462 3.509 0 40 GHAB CCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCCCC1 6947950 YOWPGYHRZHRPGB-UHFFFAOYSA-N 386.565 3.968 0 40 GHAB CCn1c(COc2ccccc2Cl)nc2cc(S(=O)(=O)N(C)C)ccc21 6972186 VDNMHHCNDQRYGJ-UHFFFAOYSA-N 393.896 3.539 0 40 GHAB O=C(COc1cccc(F)c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 7688307 VETMYPCAJXBCEQ-UHFFFAOYSA-N 386.404 3.738 0 40 GHAB COc1ccc2oc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c(C)c2c1 7751532 DJSIMWVMHJQRCJ-UHFFFAOYSA-N 392.455 3.915 0 40 GHAB CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C)cc1 7792542 LMRLQXUHFDNMSC-HXUWFJFHSA-N 386.517 3.661 0 40 GHAB CCOc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)CC1=O 7881527 DUQKFMYTPKWKPE-SJLPKXTDSA-N 395.455 3.561 0 40 GHAB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Cl 8092061 IHFAAGRWVJPMID-SDQBBNPISA-N 397.258 3.511 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)SCc2ccccc2)c1 8220278 CTJYXWUFMAJYQT-ZDUSSCGKSA-N 387.457 3.520 0 40 GHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc21 8475359 MYVWTHGYIURIAR-UHFFFAOYSA-N 385.272 3.703 0 40 GHAB Cc1nc(C2CCCC2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccco2)n1 8623041 WWYJCXNOBKCWQQ-OTWHNJEPSA-N 394.519 3.643 0 40 GHAB biogenic,in-vitro CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3F)ccc21 8840722 PIICWLASHOPMDI-UHFFFAOYSA-N 376.453 3.706 0 40 GHAB COc1cccc(-c2noc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)c1 8981586 LAPVCFZMSNVWMG-GOSISDBHSA-N 393.443 3.854 0 40 GHAB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3cc(C)on3)sc2c1 9206322 PVCXRVSOFVPLAN-UHFFFAOYSA-N 380.429 3.843 0 40 GHAB COc1ccc(N2C[C@@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1OC 9318214 CZNLUNITCGCVDM-ZDUSSCGKSA-N 399.834 3.928 0 40 GHAB Cc1cccc(C(=O)NCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 9378459 NLYVXKUPHHLJHA-UHFFFAOYSA-N 390.468 3.740 0 40 GHAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(C)c1)C(C(=O)OC)=C(C)N2 9569584 XRGCUGFUMVDGCL-HNNXBMFYSA-N 385.489 3.585 0 40 GHAB O=C(COc1cc(Cl)cc(Cl)c1)Nc1cccc(C(=O)NC2CC2)c1 10905179 YSAJFNLWBGSNMX-UHFFFAOYSA-N 379.243 3.903 0 40 GHAB COc1ccc(-c2ccc(C)c(NC(=O)c3cc4ccccc4oc3=O)c2)nn1 11694187 CXLUTWKOCUWOMJ-UHFFFAOYSA-N 387.395 3.819 0 40 GHAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCC1(c2ccccc2)CC1 11750727 JSZPYZCYCBWIHK-QGZVFWFLSA-N 386.904 3.991 0 40 GHAB O=C(NCc1ccccn1)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 12132268 BWWKOSFSDIQSOM-UHFFFAOYSA-N 395.434 3.531 0 40 GHAB Cc1ncc(CN2CC[C@]3(CCCN(Cc4ccc(C(C)C)cc4)C3=O)C2)cn1 12302290 VSQLUTMWABIBAD-XMMPIXPASA-N 392.547 3.923 0 40 GHAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(CCO)Cc4ccccc4)[C@H]3C=C12 12661779 OZOHJRMQAJVXAU-MZZCSFHOSA-N 383.532 3.795 0 40 GHAB biogenic O=C(Cc1csc(-c2ccccn2)n1)N1CCC(c2ccc(O)cc2)CC1 12761455 YSVXQBRGOZVUNB-UHFFFAOYSA-N 379.485 3.859 0 40 GHAB Cc1cccc(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccccc3)o2)c1C 12771790 BJLNLQMYPRWRBS-UHFFFAOYSA-N 391.471 3.988 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 12877771 QEIISBAYPNPSHW-GOSISDBHSA-N 392.411 3.566 0 40 GHAB CCC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(CC)c3)C2)c1C 12909096 GCRCDOSLEHDBAY-KRWDZBQOSA-N 393.487 3.898 0 40 GHAB C[C@@H](NC(=O)CCSc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 12933954 YBMUUFYFINDPNL-CYBMUJFWSA-N 381.494 3.589 0 40 GHAB CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(OC)c(OC)c1 13470651 LGPKSLZQUNGNHI-UHFFFAOYSA-N 380.444 3.516 0 40 GHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2[nH]c3ccccc3c2C1 14098954 MIJIVNDGFMEALW-UHFFFAOYSA-N 380.391 3.934 0 40 GHAB O=C(Nc1ccccc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccccc2)no1 15707186 NPMPLPLHCPCSFJ-SFHVURJKSA-N 386.415 3.791 0 40 GHAB biogenic,in-vitro O=C1CCC[C@]2(CN(C(=O)CCc3ccccc3)C[C@H]2c2ccc(F)c(F)c2)N1 19370887 FXDBDAYCUCQOLV-FDDCHVKYSA-N 398.453 3.562 0 40 GHAB CC(C)c1cc(C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)on1 19452773 HNBHDRFHCIZPLR-UHFFFAOYSA-N 383.492 3.734 0 40 GHAB Cc1cc(C(=O)N[C@H](Cc2cc(=O)[nH]c(C3CC3)n2)c2ccccc2)cs1 19571973 KWSWEEABFKLXRW-GOSISDBHSA-N 379.485 3.731 0 40 GHAB CC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)CC1 19705646 LBLZFZNUEVXOMK-UHFFFAOYSA-N 382.483 3.603 0 40 GHAB CC(=O)N1CCCCC[C@@H]2N(C(=O)c3nccn3C)[C@H](c3ccccc3)C[C@@]21C 19713536 LZESOFBOXOGGOC-JTAQYXEDSA-N 394.519 3.557 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 19902136 KMGZUXIQZVXEOK-UHFFFAOYSA-N 388.552 3.514 0 40 GHAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CN1CCN(c2ccccc2)CC1 20266090 QIWAMOCEAYMENS-XMHGGMMESA-N 397.475 3.642 0 40 GHAB CCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccccc2)n2c1nc1ccccc12 20638165 INEFNUSCRTZHJE-WOJBJXKFSA-N 391.471 3.952 0 40 GHAB Cc1ccc2nc(C)cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)c2c1 21602547 XTNCFTHOWIFDBU-UHFFFAOYSA-N 395.484 3.644 0 40 GHAB Cc1nn(-c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)c(C)c1Cl 22064225 PCBHIHAACMIFHU-UHFFFAOYSA-N 380.835 3.741 0 40 GHAB CSc1ncc(C(=O)Nc2ccc(N3CCCC3)nc2)n1-c1ccccc1 22391798 PVNQINZEPCQFIF-UHFFFAOYSA-N 379.489 3.842 0 40 GHAB O=C(CN1CCN(Cc2ccccc2)CC1)NCC12CC3C[C@H](CC[C@H](C3)C1)C2 23473219 OAZKNEAPRCAKJX-PMLGBOFDSA-N 395.591 3.527 0 40 GHAB COc1ccc2cc([C@@H](C)C(=O)N3CCN(Cc4ccncc4)CC3)ccc2c1 23846584 LMIYKHCAVULSCR-GOSISDBHSA-N 389.499 3.691 0 40 GHAB CN(C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[C@H]1CCCc2ccccc21 24842695 PFZLRCORISNWOR-NRFANRHFSA-N 398.528 3.548 0 40 GHAB O=C(Cc1cccs1)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 27603074 CPKUQSGYADNKDK-UHFFFAOYSA-N 380.425 3.910 0 40 GHAB Nn1c(SCc2ccccc2)nnc(Nc2c(Cl)cccc2Cl)c1=O 28536060 XQWOQKOEYKHGIA-UHFFFAOYSA-N 394.287 3.695 0 40 GHAB O=C(Nc1ccc(Br)cc1F)c1cccc(CN2CCOCC2)c1 30751172 MJPJMKMTCWLREI-UHFFFAOYSA-N 393.256 3.673 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cc2ccccc2oc1=O 31984491 NDSHXEXRMKSISX-UHFFFAOYSA-N 397.452 3.762 0 40 GHAB CC(C)(C)C(=O)NCCNC(=O)c1cn(Cc2ccccc2)c2ccccc12 32103647 IIFTUNVWSHOOJL-UHFFFAOYSA-N 377.488 3.582 0 40 GHAB CCOc1ccc(S(=O)(=O)Oc2ccc(NC(C)=O)cc2)c2ccccc12 32602137 UDDXRZVFMYDTGC-UHFFFAOYSA-N 385.441 3.965 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)c2cnn(Cc3ccccc3)c2)c1 32748009 FDMLDXKKCKALFW-UHFFFAOYSA-N 376.460 3.666 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 32888145 GKBWXYJPUYFBDQ-UHFFFAOYSA-N 377.356 3.830 0 40 GHAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3nc4c(s3)CN(C)CC4)cc12 32997973 AFKMZYWUHWWFLZ-UHFFFAOYSA-N 389.550 3.759 0 40 GHAB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2cn(C)c3ccccc23)SC1=S 35040105 QSOPYXJVMUYCLE-INQNZLQJSA-N 388.514 3.879 0 40 GHAB CCCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1cccnc1 35311071 YNKRHFDPSAYKCB-HNNXBMFYSA-N 393.516 3.820 0 40 GHAB Cc1nn([C@@H](C)CCNC(=O)c2nc(-c3cccs3)no2)c(C)c1Cl 36612482 NMEPDXVMSZNIDD-VIFPVBQESA-N 379.873 3.646 0 40 GHAB COc1cc(/C=C/C(=O)Nc2nnc(C3CCCCC3)o2)cc(OC)c1OC 36652064 YFTDNVUFBBMUCK-MDZDMXLPSA-N 387.436 3.795 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@@H](c1cccc(F)c1)N(C)C 37123973 PSARKFXUHJVERP-VXKWHMMOSA-N 395.478 3.509 0 40 GHAB CC1CCN([C@@H](CNC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)C(C)C)CC1 40090771 WSDVVNWQLLCZKL-NJTIBFSMSA-N 397.563 3.699 0 40 GHAB C[C@H](c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 40157195 DMFSIUAGWOAXLJ-CQSZACIVSA-N 382.888 3.547 0 40 GHAB COc1ccc(C(=O)Nc2nn3c(-c4ccc(C)c(F)c4)nnc3s2)cc1 41076590 CCGMDVYOINDHSY-UHFFFAOYSA-N 383.408 3.561 0 40 GHAB C[C@@H](C(=O)Nc1nc(-c2ccco2)cs1)n1nc(-c2ccccc2)ccc1=O 44395845 QVCMMBZRLCIDKH-ZDUSSCGKSA-N 392.440 3.827 0 40 GHAB Nc1nc(Cl)cc(Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n1 45026221 MOVIYKLCIGTKLP-ZDUSSCGKSA-N 387.896 3.906 0 40 GHAB CCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccccc3)ccc2s1 46058439 CDKFZYKVUJQKHY-UHFFFAOYSA-N 388.514 3.866 0 40 GHAB CN(Cc1nnc2n1CCCCC2)c1nc(-c2ccncc2)nc2ccccc12 48265143 QYKPPUKDWUZXFD-UHFFFAOYSA-N 385.475 3.646 0 40 GHAB C[C@@H](c1ccccc1)n1cnnc1S[C@H](C(=O)NC1CC1)c1ccccc1 48355992 LLEDYSMDXZOKJD-KXBFYZLASA-N 378.501 3.999 0 40 GHAB O=C(c1cc(F)cc(F)c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 48374974 DOCDKDWXJCNADR-UHFFFAOYSA-N 399.224 3.870 0 40 GHAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CCN(c2ccccc2)CC1 57476764 FQYLKSUNSPHCCW-OAQYLSRUSA-N 399.494 3.555 0 40 GHAB COc1cc(C)c(NC(=O)NCc2ccccc2Cn2ccnc2)cc1OC 69532364 YSZVOSLBCDQBJB-UHFFFAOYSA-N 380.448 3.579 0 40 GHAB CN(C)CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 72111092 BGEAWRJIUDNVLQ-UHFFFAOYSA-N 382.895 3.874 0 40 GHAB CO[C@H](CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)c1ccc(Cl)cc1 72296787 VGOCPYFUHUMMOM-GOSISDBHSA-N 398.894 3.925 0 40 GHAB CN1CCC(C(=O)N2CCC[C@H](c3cccc(Cc4cccc(F)c4)n3)C2)CC1 72350398 YTVWJWIRGJXBQB-FQEVSTJZSA-N 395.522 3.859 0 40 GHAB Fc1ccccc1-c1ccccc1CN1CCn2c(nnc2[C@@H]2CCCNC2)C1 72372155 AMLWOIZFZNIUCK-QGZVFWFLSA-N 391.494 3.567 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3C[C@H]4[C@@H](C3)C4(C)C)CCCC2)c1 76041064 LIPVJKZREWQCCG-CALCHBBNSA-N 375.534 3.504 0 40 GHAB COC(=O)[C@H](C)[C@@H](NCc1coc(-c2ccc(OC)cc2)n1)c1ccccc1 79025913 DLCMCPUVISGIKZ-FOIQADDNSA-N 380.444 3.990 0 40 GHAB O=C1CCc2cc(NC(=O)c3ccc(COCC(F)(F)F)cc3)ccc2N1 84403261 REJUOVQPFDQMDI-UHFFFAOYSA-N 378.350 3.903 0 40 GHAB C[C@@H]1CC[C@H](C(=O)NC2CCCCCC2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 89922555 KZUZCCRCKDRUAR-XWPNQZOQSA-N 382.504 3.677 0 40 GHAB COC(=O)[C@H]1c2ccccc2CCN1Cc1ccc(-n2nc(C)cc2C)cc1 95405172 RYJAWTQGRZUYGU-JOCHJYFZSA-N 375.472 3.762 0 40 GHAB O=C(Nc1ncccc1OCC1CCCCC1)c1ccc(N2CCNC2=O)cc1 95957848 GTJKXARADIVZSQ-UHFFFAOYSA-N 394.475 3.823 0 40 GHAB CCCn1cnc(-c2nc(C(=O)NCc3cc(F)cc(F)c3)c3ccccn23)c1 96037978 VOELKIXMBFDAJL-UHFFFAOYSA-N 395.413 3.816 0 40 GHAB CC(=O)Nc1ccc(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)cc1 96096367 WDVFBHOMUQJAJO-UHFFFAOYSA-N 396.834 3.588 0 40 GHAB CC(C)n1cnc2c(-c3ccccc3)nc(C3CCN(S(C)(=O)=O)CC3)cc21 96155639 QICURQPLQKIZBL-UHFFFAOYSA-N 398.532 3.818 0 40 GHAB O=C1N(Cc2cccnc2)c2ccccc2C12CCN(c1nccs1)CC2 96241394 OJPOWFZCDODQPH-UHFFFAOYSA-N 376.485 3.623 0 40 GHAB CCOC(=O)C(=CNc1scc(-c2ccccc2)c1C(=O)O)C(=O)OCC 100063633 YPLRADGLEFRRJF-UHFFFAOYSA-N 389.429 3.535 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)Cc2cccc(C)c2)c2ccccn2)CC1 100750322 NWGWAWFODDJARA-LEEZEASISA-N 393.531 3.733 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)C2 106745117 PPVXAUGRUKQYJA-SVKFGRERSA-N 390.833 3.852 0 40 GHAB Cn1cc(CN2CCC3(CC2)C(=O)N(c2ccsc2)c2ccccc23)cn1 106802210 UOFPPVATQLTZAO-UHFFFAOYSA-N 378.501 3.694 0 40 GHAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@H]1COc2ccccc2C1 195586086 NUAZOEMVRROFEB-MRXNPFEDSA-N 398.459 3.903 0 40 GHAB C[C@@H](Nc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)O)c1ccccc1 217576187 WITDAHOBQHQKGG-CQSZACIVSA-N 388.489 3.779 0 40 GHAB Cc1cccc(N(CCCC(=O)N2CCCc3ccccc32)S(C)(=O)=O)c1 219618205 IJKZDJQMMPKTLH-UHFFFAOYSA-N 386.517 3.521 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 222395386 QVQKFBKUORPWLE-SFHVURJKSA-N 396.531 3.835 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)cc1 223638304 ZETQBHSBOKFBBH-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC(C)C)ccc1Cl 223835077 KRLYMMWIRRTXHQ-UHFFFAOYSA-N 383.853 3.715 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2)cc1Br 224876237 ZWSVEUMBZBTZBD-UHFFFAOYSA-N 390.686 3.936 0 40 GHAB COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224921579 CKESOOJNHBXCCI-UHFFFAOYSA-N 399.443 3.861 0 40 GHAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 225452067 WAULUEAWEWHWGT-OAQYLSRUSA-N 384.495 3.744 0 40 GHAB COc1ccccc1OCC(=O)NCC1(c2ccc([C@H](C)O)s2)CCCC1 225681578 SPEGTPNUUIEXPE-HNNXBMFYSA-N 389.517 3.817 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(Cl)ccc3C)ccc21 225688742 ZTRUWTQGXJTHOE-UHFFFAOYSA-N 382.894 3.846 0 40 GHAB CN(C(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)c1ccccc1 225848538 FMSDPLXAMRVKIT-UHFFFAOYSA-N 392.480 3.715 0 40 GHAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H]3OC(C)(C)OC[C@]32C)[C@@]12CC[C@](CO)(CCO)O2 248340918 VKCTYACKTCTDRG-YUSFRPNYSA-N 396.568 3.653 0 40 GHAB CCc1ccc([C@@H]2[C@H](C(N)=S)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 252515951 OWVUZDSLPMWCEM-IKGGRYGDSA-N 379.934 3.744 0 40 GHAB COc1ccc2[nH]c(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCCC[C@@H]35)N4C(C)=O)cc2c1 257315461 VBMGBXDKKFWTSN-ZERUQHPESA-N 395.503 3.571 0 40 GHAB CCn1cc(CN2CCO[C@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)cn1 257315889 VDDZSUNTCZFARQ-SFHVURJKSA-N 398.536 3.688 0 40 GHAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 257318761 VPFWAUSVIZFSSQ-SFHVURJKSA-N 375.476 3.514 0 40 GHAB CC[C@@H](C)CNC(=O)c1nc(-c2ccnn2-c2ccc(C)cc2)n2ccncc12 306140887 VGEVNAKABGOFCM-OAHLLOKOSA-N 388.475 3.666 0 40 GHAB COc1ccc(S(=O)(=O)NCC(C)C)cc1NC(=O)c1cccc(Cl)c1 408549994 AKOFMGJINYDQBT-UHFFFAOYSA-N 396.896 3.535 0 40 GHAB Cc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1C(=O)NCC(C)C 408583933 KRWRGSOYGYWLJS-UHFFFAOYSA-N 380.554 3.772 0 40 GHAB COc1ccc(O)c(NC(=S)NC(=O)c2cc3ccccc3cc2OC)c1 408627188 LCDBXRQQBMFYPP-UHFFFAOYSA-N 382.441 3.689 0 40 GHAB O=C(O)CCSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 408749582 HTSAGNBOTCCLAU-RYUDHWBXSA-N 390.486 3.543 0 40 GHAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN2C(=O)/C=C/c2cccnc2)n1 585293510 YHTZLHWZWFSTMI-YXBWYFRISA-N 386.459 3.696 0 40 GHAB CC(C)COc1ccc(C(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)cn1 585409621 RGFVGJKVLXWBGV-NRFANRHFSA-N 390.487 3.638 0 40 GHAB Cc1ccc(F)c(S(=O)(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)c1 620943531 YISMESABRKYDAO-MRXNPFEDSA-N 388.508 3.738 0 40 GHAB Cn1ccc(CC(=O)N2CCC[C@@]2(c2c[nH]c3ccccc23)C(F)(F)F)n1 622979658 JRFURIWSPKYZMT-GOSISDBHSA-N 376.382 3.524 0 40 GHAB CN(CCNS(=O)(=O)c1sc2ccccc2c1Cl)c1ccccc1 1666210996 UPVPWBHTUXVFGU-UHFFFAOYSA-N 380.922 3.969 0 40 GHAB CSCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCCO2 8723575 JXWHOJVGGIIOET-UHFFFAOYSA-N 383.473 3.699 0 40 GHAB CCOC(=O)[C@@H](CC)Sc1nnc(CNc2ccc(C)cc2C)n1CC 899210 ANQKYJQUCSPAQH-MRXNPFEDSA-N 376.526 3.961 0 40 GHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)NC1CCCCC1 904811 XEKLWZDWZUMHGI-UHFFFAOYSA-N 388.537 3.726 0 40 GHAB COCCN1CC[C@@H](CNC(=O)c2ccccc2Nc2cccc(C)c2C)C1 78757274 ORZNORDTOPZARC-IBGZPJMESA-N 381.520 3.745 0 40 GHAB COC(=O)[C@H](CNc1ncnc2ccc(Br)cc12)c1ccccc1 78903456 NBGMXZWZNGHOHK-OAHLLOKOSA-N 386.249 3.761 0 40 GHAB Cc1nc(C)n(Cc2cccc(NC(=O)N[C@H](CCCO)c3ccccc3)c2)n1 79023393 PWSUEYALVGTQIB-OAQYLSRUSA-N 393.491 3.579 0 40 GHAB CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc(Cl)cc3)ccc(=O)n1C2 4237395 YFAQHPYQSNUKIB-GOEBONIOSA-N 385.895 3.706 0 40 GHAB biogenic,in-vitro CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc2c(c1)OCCO2 4947832 WBKVOWUVLGHLCM-UWWQBHOKSA-N 376.449 3.619 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCOc1ccc(C)cc1 6219946 BXMLMXCOLDNAGL-UHFFFAOYSA-N 387.432 3.597 0 40 GHAB COCCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccoc1C 6232917 NJRBFTXPYHRXHR-UHFFFAOYSA-N 386.477 3.614 0 40 GHAB Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 6476618 LAXWACCQQRXYDF-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCC(=O)N1CCCCC1 54031143 SJEHTDRAYKHILI-GFCCVEGCSA-N 389.348 3.993 0 40 GHAB CCOc1ccccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)CC1=O 7881526 DUQKFMYTPKWKPE-WMZOPIPTSA-N 395.455 3.561 0 40 GHAB COc1ccc(NC(=O)Nc2ccc(I)cc2)cc1OC 3153541 XJGYZBZJNSHTKF-UHFFFAOYSA-N 398.200 3.952 0 40 GHAB CCN1CCN(c2ccc(N[C@@H](C(=O)NC3CC3)c3ccccc3)cc2C)CC1 12544472 WLDZFRZIXVHWGA-HSZRJFAPSA-N 392.547 3.569 0 40 GHAB COc1ccccc1CNC(=O)c1cnc(Nc2nc3ccccc3o2)nc1C 10157583 SUJPAFGKVMFMIJ-UHFFFAOYSA-N 389.415 3.608 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)cc1F 10301965 LPGJRJRRIUOVEV-UHFFFAOYSA-N 378.194 3.537 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H](c1ccco1)N1CCCC1 12594185 QNYIGENILQGOFV-OAQYLSRUSA-N 392.503 3.578 0 40 GHAB O=C(CCc1ccccc1F)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23718758 RXSDSVBYUWZLNU-UHFFFAOYSA-N 381.373 3.521 0 40 GHAB CSc1cccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 8040604 VGYSXOUPLGTIQK-UHFFFAOYSA-N 392.546 3.902 0 40 GHAB CC[C@H](NCc1nc(=O)c2sccc2[nH]1)c1ccc(Br)cc1 23996004 ZYPLASARCYKJGP-LBPRGKRZSA-N 378.295 3.988 0 40 GHAB CCOc1ccc(OCC[S@](=O)Cc2nnc(-c3ccc(F)cc3)o2)cc1 24830343 CXAOHVDODXACAA-HHHXNRCGSA-N 390.436 3.602 0 40 GHAB CSc1ncc(CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)cn1 57822988 LKKBRLBEZKOCPL-UHFFFAOYSA-N 383.439 3.701 0 40 GHAB O=C(CSc1nnc(NC2CCCCC2)s1)NCCc1ccccc1 3278814 GDIBKEYPQZDBAX-UHFFFAOYSA-N 376.551 3.734 0 40 GHAB O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccccc1OC(F)F 3271277 XLAMXNBMELVZEU-UHFFFAOYSA-N 395.333 3.572 0 40 GHAB COC(=O)c1ccc(CN[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 57369267 WQZBTIPQKGMGIQ-QGZVFWFLSA-N 395.503 3.580 0 40 GHAB COc1cccc(N2CCN(Cc3nc(-c4ccc(SC)cc4)no3)CC2)c1 57427650 OBUYJPBGHVODBP-UHFFFAOYSA-N 396.516 3.789 0 40 GHAB CCOC(=O)c1ccc(NC(=O)Nc2c(NC)c3ccccc3oc2=O)cc1 101094526 FTJUOFAFKHMOIN-UHFFFAOYSA-N 381.388 3.655 0 40 GHAB COc1ccc(CN(CN2C(=O)C(=O)c3cc(C)ccc32)CC(F)(F)F)cc1 12740377 CREMXZRFEMZGTC-UHFFFAOYSA-N 392.377 3.555 0 40 GHAB Cc1nc(-c2ccc(CCNC(=O)[C@H]3COc4ccccc4O3)cc2)cs1 12729020 JFFIMMYNMPOJFH-HXUWFJFHSA-N 380.469 3.617 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1Br 23863463 SKMJNISPTPIHGF-SNVBAGLBSA-N 388.258 3.636 0 40 GHAB C[C@]1(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)Cc2ccccc2C(=O)O1 10867036 ZNALMWFXDJFLAC-JOCHJYFZSA-N 390.395 3.642 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 10910126 IFBQEFLHHUQVQD-UHFFFAOYSA-N 380.410 3.929 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 10978502 GYYMMKYCPAAJMH-GFCCVEGCSA-N 395.286 3.999 0 40 GHAB O=C(/C=C/c1ccco1)Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1 2325221 OTYWQKLBAFKSLO-ZHACJKMWSA-N 376.368 3.882 0 40 GHAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1noc(-c2cccs2)n1 36740790 NSWJHRIHULUHGI-UHFFFAOYSA-N 379.228 3.863 0 40 GHAB COCCNC(=O)c1cc(-c2ccccc2C(F)(F)F)nc2onc(C)c12 29463111 QGLNMFQCVYNJKX-UHFFFAOYSA-N 379.338 3.593 0 40 GHAB CC(=O)N[C@@H](C(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1)C(C)C 12925704 NVSQDNCHWIQZBR-MRXNPFEDSA-N 379.913 3.795 0 40 GHAB COC(=O)c1c(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)sc(C)c1C 12906335 CINBHQBDEDNXKT-IZZDOVSWSA-N 398.484 3.696 0 40 GHAB O=C(C[C@H]1C(O)=Nc2nc(SCc3ccccc3)nn21)Nc1ccc(F)cc1 13691058 YTLAFMCNAQCFHV-HNNXBMFYSA-N 397.435 3.881 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(Br)c1 6277881 BCNPQHHYQZXMRW-UHFFFAOYSA-N 397.219 3.828 0 40 GHAB CCC(CC)NC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944781 QPYLHWQZQVMWFW-CQSZACIVSA-N 375.900 3.517 0 40 GHAB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccccc2)no1 5271149 XZARDMZBVZIRET-SFHVURJKSA-N 376.343 3.978 0 40 GHAB Cc1ccc(N(Cc2ccco2)C(=O)CN2C(=O)COc3ccccc32)cc1 14198180 RIVVXUDWQAGRKR-UHFFFAOYSA-N 376.412 3.547 0 40 GHAB COc1ccc(Br)cc1CSc1nnc(-c2cccnc2)n1C 14169771 UMXVCXULZICOEG-UHFFFAOYSA-N 391.294 3.941 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)cc1F 71326979 IDRGUAAJEVFIDN-UHFFFAOYSA-N 395.438 3.542 0 40 GHAB COc1cc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C)cc2)cc(OC)c1OC 6747977 AIYUZRSRPBVXHO-LJQANCHMSA-N 399.487 3.842 0 40 GHAB COC(=O)c1c(NC(=O)c2nc(SC)ncc2Cl)sc2c1CCCC2 6810466 IXRXAWAUJTUERY-UHFFFAOYSA-N 397.909 3.831 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cccc(C)c1)S2 6811875 WTLXBHKSQBMABK-OALUTQOASA-N 393.516 3.855 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC(C)(C)C)nc3ccccc3c2=O)cc1 4975249 HSUCCOGPMWMTQC-UHFFFAOYSA-N 381.501 3.701 0 40 GHAB CO[C@@H](C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccccc1 67826947 IILZUIXUCHITOS-ZWKOTPCHSA-N 390.277 3.737 0 40 GHAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc(-n2cnnn2)cc1 8156766 QLPZFBHFKUTQEM-UHFFFAOYSA-N 387.428 3.519 0 40 GHAB Cc1ccnn1-c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 8278397 KWIRUGMGJXSIIK-HXUWFJFHSA-N 389.455 3.929 0 40 GHAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(N)c2)cc1 8498006 UYAZVUAYJIPPNO-GFCCVEGCSA-N 388.851 3.945 0 40 GHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCNC(=O)c1ccccc1OC 71844186 JQHRYHDBKXURCL-CTNGQTDRSA-N 394.515 4.000 0 40 GHAB Cc1cccc(COc2ccc([C@H](C)NC(=O)N[C@@H](C)Cn3cncn3)cc2)c1 69825793 ZZJTZRKPSQWGJK-ROUUACIJSA-N 393.491 3.614 0 40 GHAB C[C@]1(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)CC1(Cl)Cl 84673283 IWWAJGKHLFQTFB-QGZVFWFLSA-N 375.259 3.621 0 40 GHAB Cc1cc(F)c(S(=O)(=O)NCCSCc2ccnc(Cl)c2)cc1F 95458392 IACQCENTURUVHW-UHFFFAOYSA-N 392.880 3.533 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3cccc(-n4cccn4)n3)sc2C)cc1 95960488 IUCZTLXAFZZXAF-UHFFFAOYSA-N 391.456 3.960 0 40 GHAB CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 95998624 UDMDMLSLZQPURK-NSHDSACASA-N 381.263 3.695 0 40 GHAB CC(C)(C)n1cc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cn1 113858936 RTBXUPHWXDSISW-UHFFFAOYSA-N 394.441 3.615 0 40 GHAB CC(C)C1=NN(C(=O)c2ccc(Br)cc2)[C@](O)(C(F)(F)F)C1 409061367 WMNDMVSOEHIJGK-CYBMUJFWSA-N 379.176 3.558 0 40 GHAB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N1CCCCC1 408560344 GVCFUFQDQJYEFK-UHFFFAOYSA-N 380.517 3.664 0 40 GHAB CCc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408673177 PYZSCBIGNBCTDN-LVNJIZSUSA-N 386.451 3.813 0 40 GHAB CC[C@@H](C)c1ccc(O)c(NC(=O)COc2ccc(C)cc2-n2cnnc2)c1 32646707 VVUZHAMTJORITO-OAHLLOKOSA-N 380.448 3.812 0 40 GHAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2ccc(F)cc2)cc1 72354626 USRWKDDJSUAICO-IBGZPJMESA-N 392.434 3.851 0 40 GHAB Cc1cccc(NC(=O)CSc2nccn(-c3cccc(Cl)c3)c2=O)c1 6915378 LYFUSYHREDWVMY-UHFFFAOYSA-N 385.876 3.925 0 40 GHAB O=C(CN1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1)N1CCCCC1 72357626 YFHDRAPLNDOXIA-JOCHJYFZSA-N 381.495 3.961 0 40 GHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1nc(C(F)(F)F)cs1 32832701 DOEGGKYKHHZFSI-UHFFFAOYSA-N 386.330 3.922 0 40 GHAB COCCOc1ccc(S(=O)(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)cc1C 32831141 LVKDSUMHXLFZLN-KSSFIOAISA-N 393.505 3.557 0 40 GHAB COCCc1ncc(CN2CCC[C@H]2c2cccc(Nc3nccs3)n2)cn1 72375772 XXYWMPJXJITSKO-KRWDZBQOSA-N 396.520 3.598 0 40 GHAB Cc1cc(Oc2ccccc2C)nc([C@@H]2CCN(C(=O)c3cn(C)nc3C)C2)n1 72384046 ZRARJPFBUKKJDJ-QGZVFWFLSA-N 391.475 3.557 0 40 GHAB O=C(c1cscn1)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 72362634 NESOORTYTCBBHZ-ZDUSSCGKSA-N 384.436 3.884 0 40 GHAB CC[C@H](C(=O)N(C)C1CCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 44848138 SERQOZIJTQMICJ-LJQANCHMSA-N 380.554 3.639 0 40 GHAB CN(c1ccc(C(=O)N2CCCC(C)(C)C2)cc1)S(=O)(=O)c1ccccc1 224181149 CBEKDRXTGIKAHI-UHFFFAOYSA-N 386.517 3.774 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C 223726536 UTHFQWOYOCTWBI-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1 223609832 IKBMNABZTYXZRE-NHCUHLMSSA-N 392.528 3.536 0 40 GHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223869389 URZRFXZUQGNBOT-FZKQIMNGSA-N 395.908 3.778 0 40 GHAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cn(-c2ccccc2)nn1 40073774 QPSJWYCQLLRJGK-UHFFFAOYSA-N 380.411 3.859 0 40 GHAB CC(C)(C)CC(C)(C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 42880973 RMEMUWUXMZKWJK-UHFFFAOYSA-N 394.581 3.559 0 40 GHAB CN1C[C@@H](C(=O)N(Cc2ccccc2Cl)CC2CC2)c2ccccc2C1=O 585082219 GKRRAAULIGTSRQ-LJQANCHMSA-N 382.891 3.948 0 40 GHAB O=C(c1cc(Nc2ccccc2)ncn1)N1CCN[C@@H](c2cccc(Cl)c2)C1 585085564 GADJWPBKCBYZQM-LJQANCHMSA-N 393.878 3.660 0 40 GHAB CN(C(=O)c1cncc(C(F)(F)F)c1)c1ccc(OCCN2CCCC2)cc1 585083684 IRZPXDOTBNWFGI-UHFFFAOYSA-N 393.409 3.852 0 40 GHAB CC(C)CCC[C@@H](C)NC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 252517819 SFCNLHFNSUGWFK-GUDVDZBRSA-N 398.551 3.929 0 40 GHAB CCc1nnc(Nc2cccc([C@H]3CN(CCc4ccccc4)CCO3)n2)s1 257219527 DHCINUBVPUIVAR-GOSISDBHSA-N 395.532 3.855 0 40 GHAB COCCCNC(=O)[C@]1(Cc2cccc(-c3ccccc3OC)c2)CCCO1 257292528 QLYLHGWJNMDRKY-HSZRJFAPSA-N 383.488 3.607 0 40 GHAB COc1ccc(CNC(=O)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@H]45)[C@H]32)cc1 263586264 RWTOEZMPPFKTFW-PRTQVNTJSA-N 395.547 3.800 0 40 GHAB COC(=O)C1(CNC(=O)N[C@H](C)c2ccccc2Br)CCCC1 610592492 YEQDQKCCPJNXNO-GFCCVEGCSA-N 383.286 3.543 0 40 GHAB C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)C[C@H]1NC(=O)c2ccccc21 1152158450 RYZXNRYSHJBTIH-KNQAVFIVSA-N 384.426 3.763 0 40 GHAB Cc1cccc(OC2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 96119573 HWVYRHNKSVNBAK-UHFFFAOYSA-N 388.533 3.920 0 40 GHAB CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N(C)c1ccc(C)c(Br)c1 585114300 BEIIXRYJMDPFTI-RHSMWYFYSA-N 392.297 3.715 0 40 GHAB COc1ccccc1CCN[C@H]1CCCN(C(C)=O)[C@H]1Cc1cccc(C)c1 585287008 ZKJBIRLBVCBHAS-GOTSBHOMSA-N 380.532 3.758 0 40 GHAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(-c3ccccc3F)s2)c2ccccc2O1 46170504 DCIBLXNQTQYTRU-KRWDZBQOSA-N 396.443 3.708 0 40 GHAB CC(=O)CCc1ccc(OC[C@H](O)CN[C@H]2CCSc3ccccc32)cc1 39976570 KDOLEGOURWCPND-NQIIRXRSSA-N 385.529 3.775 0 40 GHAB Cc1ccc(N2CCC[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)C2)nn1 585235285 VMMIAFHQCUSTDS-CQSZACIVSA-N 379.291 3.625 0 40 GHAB CCOc1ccccc1CN1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615132040 WCWOVOTZHWCDSH-HSZRJFAPSA-N 398.478 3.622 0 40 GHAB O=C(CC1CCCCC1)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615153283 BJERRFFNIZXURD-JOCHJYFZSA-N 388.483 3.521 0 40 GHAB Cc1nccn1CCC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615159059 SJLYBVNPIGLDAM-XLIONFOSSA-N 384.499 3.627 0 40 GHAB COc1ccc2nc(SCC(=O)NCCSc3ccc(C)cc3)[nH]c2c1 5270534 VYCWSRWVCUBACO-UHFFFAOYSA-N 387.530 3.881 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNCc3ccccc3F)cc12 12290156 FAOCIFIQKSYAQJ-UHFFFAOYSA-N 380.398 3.590 0 40 GHAB COCc1c(C(=O)Nc2ccc3c(c2)NC(=O)CO3)sc2cccc(F)c12 12911119 PCRKTFKLHHMNBK-UHFFFAOYSA-N 386.404 3.770 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)Cc1ccc(Br)cc1 12933083 KNVGPEZGPPDQEJ-ZENOOKHLSA-N 382.298 3.618 0 40 GHAB C[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 13670390 RBQYRBFJWWAFDR-OAHLLOKOSA-N 388.533 3.871 0 40 GHAB CC[C@@H](C(=O)NCc1ccccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O 13713611 LIQWYWFVBRXOFS-SFHVURJKSA-N 394.924 3.509 0 40 GHAB Cc1cc(O[C@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc(C)c1Cl 14000145 BDVUNSFHYQHUCT-CYBMUJFWSA-N 387.867 3.553 0 40 GHAB Cc1nn([C@@H](C)CC(=O)N2CCCC[C@@H]2CCN2CCCC2)c(C)c1Cl 19577534 NYXOOTGPQFKGLB-MAUKXSAKSA-N 380.964 3.971 0 40 GHAB CCOC1CCN(C(=O)c2cc(-c3cnn(C)c3C)nc3ccccc23)CC1 19716490 YNTGRGMHVSVMDG-UHFFFAOYSA-N 378.476 3.585 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)/C=C/c1ccccc1 5455470 ZNNIKESHIPZERY-ACCUITESSA-N 384.501 3.822 0 40 GHAB C[C@@H](Oc1ccc(NC(=O)c2cn(C)nc2C2CCCCC2)cc1F)C(=O)O 630257477 ADEQBKKPUOWSQC-GFCCVEGCSA-N 389.427 3.711 0 40 GHAB CC(C)CCn1c(SCC(=O)N2CCC[C@H](C)C2)nc2ccccc2c1=O 11829652 UXROSRKNCQOGAG-INIZCTEOSA-N 387.549 3.793 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)OCc1ccccc1 3612266 GXZBMLZFDOUPDZ-QFIPXVFZSA-N 388.467 3.841 0 40 GHAB O=C(COc1ccc(-c2ccccc2)cc1)N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 1889054799 GPTCYIFAWNCOEC-NHCUHLMSSA-N 376.500 3.675 0 40 GHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cccs2)cc1 23054845 MQAAKNQYJWTAQI-UHFFFAOYSA-N 380.469 3.982 0 40 GHAB Cc1ccc(C)c(NC(=O)C(=O)NCCc2csc(-c3cccc(F)c3)n2)c1 4375540 DNEYPRASBLTIBO-UHFFFAOYSA-N 397.475 3.863 0 40 GHAB CN(C)CCN(C(=O)COc1ccccc1)c1nc2ccc(Cl)cc2s1 5115333 SDASGAJINLCNJD-UHFFFAOYSA-N 389.908 3.923 0 40 GHAB Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c(N)n(Cc2ccccn2)c1C 12372576 KWNVTSYPXFERHS-UHFFFAOYSA-N 375.881 3.617 0 40 GHAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)Cc1cccc2ccccc12 238815120 BGNHERFJOMIUSP-DEOSSOPVSA-N 375.468 3.731 0 40 GHAB CCOc1ccc(-c2noc(-c3c[nH]c4ccc(F)cc4c3=O)n2)cc1OC 57354797 CQJSXECHPHWGIJ-UHFFFAOYSA-N 381.363 3.792 0 40 GHAB NS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(Cl)cc3)o2)cc1 20018557 NQUKBEQZDYDYHW-UHFFFAOYSA-N 390.892 3.580 0 40 GHAB O=C(Cn1c(=O)n(C2=CCCCC2)c2ccccc21)Nc1nnc(C2CC2)s1 40128859 OERGJWMPZQLVDU-UHFFFAOYSA-N 395.488 3.586 0 40 GHAB COc1ccc2c(ccn2CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 20720295 YKOUPTCBEHNIOX-UHFFFAOYSA-N 383.879 3.652 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N3)cc1 20727553 FQTOCEDEJDCEAM-MRXNPFEDSA-N 395.850 3.737 0 40 GHAB CN(CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1N1CCOCC1 32870901 WVFRYAOQOJGMCO-UHFFFAOYSA-N 387.911 3.637 0 40 GHAB CCOC(=O)c1cnn(-c2ccc(C(=O)NC(C)(C)C)cc2)c1C(F)(F)F 32967613 BBPSLKFYHWXPMT-UHFFFAOYSA-N 383.370 3.596 0 40 GHAB CC(C)N(C(=O)CONC(=O)c1ccccc1Br)c1ccccc1 32934507 PVQPCQDZHOQLNG-UHFFFAOYSA-N 391.265 3.552 0 40 GHAB COc1ccc2cc([C@@H]3S[C@@H](C)C(=O)N3[C@H]3CCCO3)c(Cl)nc2c1 1084168 CETSQLURVNJOHK-VDYXNGCNSA-N 378.881 3.996 0 40 GHAB COc1ccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1OC 1397093 AAKJQIOHVIWJCY-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB CCOC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1ccccc1C)C(F)(F)F 2050596 JDVBYRWSGKRNDE-SFHVURJKSA-N 398.356 3.798 0 40 GHAB Cc1nc2sc3c(c2c2nc(C(=O)NC4CCCCC4)nn12)CC(C)(C)OC3 2241117 LSQORVYBRZPIRD-UHFFFAOYSA-N 399.520 3.561 0 40 GHAB COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1COc1ccccc1Cl 2472501 JCMVSVKBDLONRR-YOEHRIQHSA-N 379.865 3.716 0 40 GHAB CC[C@H](Sc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)C(=O)OC 2496913 KPWVHOJBRODLJC-ZDUSSCGKSA-N 396.921 3.578 0 40 GHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CCc2ccccc21 2661123 CUIZXZRMZUTRGX-UHFFFAOYSA-N 376.485 3.826 0 40 GHAB CCOC(=O)c1c(NC(=O)CNc2ccc(OC)cc2)sc2c1CCCC2 2886898 HWOHGMXOQVTFCA-UHFFFAOYSA-N 388.489 3.863 0 40 GHAB CCOC(=O)c1ccccc1NCN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O 3088766 WLIWEUFZJLTFDV-BOPFTXTBSA-N 398.440 3.675 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cnc(Cl)c(Cl)c2)cc1 3257726 HRKNWCUZMNXVPT-SECBINFHSA-N 396.230 3.531 0 40 GHAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(Br)c(C)c1 3459188 STIKEIKZHQOPRM-UHFFFAOYSA-N 377.238 3.733 0 40 GHAB CCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3472745 NZTXCKBGZBFWFQ-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)[C@@H]1COc2ccccc2O1 4088532 UMLPACHYNODQQJ-KRWDZBQOSA-N 395.436 3.980 0 40 GHAB COc1ccc(-c2nc(CCNC(=O)COc3ccccc3)cs2)cc1OC 4167131 ULVQPEMOLJFXPH-UHFFFAOYSA-N 398.484 3.565 0 40 GHAB CCc1nnc(NC(=O)CSc2ccc3nc(-c4ccccc4)cn3n2)s1 4251281 OZJDZZVQZNKQJL-UHFFFAOYSA-N 396.501 3.541 0 40 GHAB Cn1c(Cc2cccs2)nnc1SCC(=O)N[C@H]1CCCc2ccccc21 4790734 HIDCUFCQKMTSNA-KRWDZBQOSA-N 398.557 3.753 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc(C3CC3)n2C2CC2)n1 5261765 OLCSXQDMSKTFKZ-UHFFFAOYSA-N 394.508 3.602 0 40 GHAB CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1-c1nc2ccccc2n1C 5625530 YVNQUFRHKLCEBL-UHFFFAOYSA-N 392.411 3.791 0 40 GHAB biogenic CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(F)cc2F)NC(=O)N1 6050375 VTMIKJQXIPDPTO-INIZCTEOSA-N 377.778 3.885 0 40 GHAB COc1ccccc1NC(=O)[C@H](C)N(C)CC(=O)Nc1cccc2ccccc12 6086009 GEAKANOMYKLOLI-INIZCTEOSA-N 391.471 3.746 0 40 GHAB O=C(Oc1ccc2nccnc2c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 6229510 NNNCJDYSKCOPGP-UHFFFAOYSA-N 395.374 3.650 0 40 GHAB COc1cc(OC)c(N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1Cl 6638022 CLKLFRVLQUURCP-SNVBAGLBSA-N 378.812 3.525 0 40 GHAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)cc1 6880808 XXHXPSAJAGPHBE-YBEGLDIGSA-N 377.462 3.711 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)Cc1ccc2c(c1)OCCO2 6945607 JVVJXFVXIXNGGR-CQSZACIVSA-N 379.412 3.605 0 40 GHAB CCCCn1nnnc1NCc1ccc(OCc2ccc(C)cc2)c(OC)c1 7262144 FLGXRHGVWJLFQU-UHFFFAOYSA-N 381.480 3.981 0 40 GHAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccccc1Cl 7939820 WBIFQKCTKLMPOL-UHFFFAOYSA-N 388.851 3.803 0 40 GHAB O=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1ccc2c(c1)CCC2 8166168 JHOJAVYTTJGPMO-UHFFFAOYSA-N 389.455 3.749 0 40 GHAB CCN(CC)c1ccc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)cc1 8724413 NFWUGOWPRQLPHZ-UHFFFAOYSA-N 394.504 3.788 0 40 GHAB COCCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1c1ccc(F)cc1 8738095 KIVXACXWXIAFJE-IBGZPJMESA-N 381.407 3.632 0 40 GHAB CCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810909 FSXRMDDCJHNXGO-UHFFFAOYSA-N 382.432 3.686 0 40 GHAB CN(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1cnn(Cc2ccccc2)c1 9057945 GONGCOYCCDTZTL-HSZRJFAPSA-N 388.515 3.557 0 40 GHAB CC1(C)COc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2NC1=O 9168725 IQKAICOHPBTPOJ-UHFFFAOYSA-N 396.468 3.998 0 40 GHAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900638 SXBKAWQKDGEKRX-ZDUSSCGKSA-N 381.863 3.525 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 10445071 CMBYTSMSXMTCBD-UHFFFAOYSA-N 388.423 3.924 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)CNc2ccc(Br)cc2F)c1 11724881 CTQFRSZLYLPYSJ-UHFFFAOYSA-N 395.228 3.734 0 40 GHAB Cc1nc(COc2ccccc2C(=O)OCCOc2ccc(Cl)cc2)no1 12078612 QBFDXFJCDKRYKP-UHFFFAOYSA-N 388.807 3.846 0 40 GHAB COc1ccc(OC)c(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ncccc2C)c1 12089087 FYKJRAVJIXHMON-LIMIJEPZSA-N 382.504 3.527 0 40 GHAB Cc1nc2oc3c(=O)n(CCc4ccccc4)cnc3c2c2c1COC(C)(C)C2 12323585 INAYOOAPGTWWIT-UHFFFAOYSA-N 389.455 3.940 0 40 GHAB COc1ccccc1NC(=O)[C@H](C)Sc1nncn1CCc1cccs1 12801089 RGMNDYFRHRXLSS-ZDUSSCGKSA-N 388.518 3.710 0 40 GHAB Clc1ccc(-c2cc(CN3CCN(c4ncccn4)CC3)on2)c(Cl)c1 12981128 BGWFGYSADUDOTO-UHFFFAOYSA-N 390.274 3.761 0 40 GHAB CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 13672258 HCHRJRPTWRLJNS-UHFFFAOYSA-N 390.288 3.879 0 40 GHAB COc1ccc(CN(C)C(=O)COc2ccc(Br)cc2)cc1OC 15440051 JOAVFGDAKNOWAK-UHFFFAOYSA-N 394.265 3.504 0 40 GHAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 16779021 RNCDMZSZMUYXCR-AWEZNQCLSA-N 383.922 3.955 0 40 GHAB O=C(Cc1cccc2ccccc12)NCCCN1CCO[C@H](c2ccccc2)C1 17178555 VZTRVDVSLUKTTE-DEOSSOPVSA-N 388.511 3.962 0 40 GHAB O=C([C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1ccccc1)N1CCOCC1 19298301 BUVVDUXTAZRWEC-IBGZPJMESA-N 397.475 3.908 0 40 GHAB O=S(=O)(c1ccccc1)N1CCCC[C@H]1c1nnc(-c2ccsc2)o1 19373652 UGDYASRZZWPPEB-HNNXBMFYSA-N 375.475 3.714 0 40 GHAB COc1ccc(CN2CCC([C@H](NC(C)=O)c3ccccn3)CC2)c(C)c1C 19577310 CWYVEXGMYWEFRO-QHCPKHFHSA-N 381.520 3.796 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC(C(=O)N2CCCCCC2)CC1 19656047 XWHWWKRWRGSKFQ-UHFFFAOYSA-N 399.466 3.736 0 40 GHAB O=C(c1cccnc1)N1CCC([C@@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 19696247 MARMEOFPELVOLP-QFIPXVFZSA-N 389.499 3.539 0 40 GHAB C[C@@H](CN(C)C(=O)Cn1cc(NC(=O)c2ccc(F)cc2)cn1)c1ccccc1 19749471 GHHJMLKHHGEGTJ-INIZCTEOSA-N 394.450 3.537 0 40 GHAB COc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 20035146 CZIRHCVCOSKLPF-OAHLLOKOSA-N 389.517 3.942 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2C)n[nH]1 20195624 FSFHYWMZWAKUKR-UHFFFAOYSA-N 396.472 3.688 0 40 GHAB O=C(O)[C@H]1CCCN([C@@H](C(=O)O)c2c(-c3ccccc3)[nH]c3ccccc23)C1 20715997 MXFKKMXYRDBUCK-MGPUTAFESA-N 378.428 3.757 0 40 GHAB COCc1c(C(=O)N2CCN(c3ccccc3OC)CC2)oc2ccccc12 21002164 JQNPVYOYVPWHOH-UHFFFAOYSA-N 380.444 3.550 0 40 GHAB CC(C)c1noc2ncc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc12 22279592 GOCPYNDVLVWHEP-HNNXBMFYSA-N 392.459 3.837 0 40 GHAB COc1ccc(CN(C)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1F 23055658 QTZHYBYNGUYCOZ-UHFFFAOYSA-N 395.356 3.861 0 40 GHAB C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1cccs1)N1CCOCC1 23182605 KXFMHIHVGCYSHZ-SUMWQHHRSA-N 379.913 3.985 0 40 GHAB Cc1cccc(C)c1-n1c(-c2ccccc2)cnc1S[C@H](C)C(=O)NC(N)=O 23642540 URCJLSZWPKEBNT-OAHLLOKOSA-N 394.500 3.832 0 40 GHAB Cc1ccc(/C=C/C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 24208102 PKFDHMXNMLXJFF-ZHACJKMWSA-N 377.513 3.962 0 40 GHAB CN(CCOc1ccccc1)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 24864470 CLYPIVYKSAFZCR-UHFFFAOYSA-N 390.487 3.699 0 40 GHAB C[C@@H](CNC(=O)c1ccc(Br)s1)N1CCc2ccccc2C1 25939654 KJZZTTMROHZAQO-LBPRGKRZSA-N 379.323 3.687 0 40 GHAB COc1cc(/C=C/C(=O)Nc2ccc(C(C)(C)C)cc2)ccc1OCC(N)=O 29487781 BMPSEXVLFRJFNX-WUXMJOGZSA-N 382.460 3.509 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)o1 29882819 MXVPEPWJCVPQEY-NWVKCBENSA-N 380.488 3.565 0 40 GHAB CSCC[C@@H](NC(=O)c1cc(C)nc2onc(C)c12)c1nc2ccccc2[nH]1 30911632 FUBRBSGGXNTIRA-MRXNPFEDSA-N 395.488 3.940 0 40 GHAB Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)n[nH]2)s1 31066960 WAWAFUKZSSKEIM-ZDUSSCGKSA-N 381.457 3.581 0 40 GHAB Cc1ccc(Nc2ncnc3c2oc2ccccc23)cc1S(=O)(=O)N(C)C 32679056 OMGIROQKORWKPV-UHFFFAOYSA-N 382.445 3.678 0 40 GHAB COC(=O)CCCCCCNC(=O)c1ccccc1C(=O)c1ccc(F)cc1 32753528 LELPTCZMIRTYPN-UHFFFAOYSA-N 385.435 3.910 0 40 GHAB COc1cc(OC)c(-n2nnc(-c3nc(-c4ccccc4)no3)c2C)cc1Cl 33265356 XYTHZGLAUCTTHO-UHFFFAOYSA-N 397.822 3.963 0 40 GHAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)O[C@@H](C)C(=O)N3CCCC3)c12 36713073 DPGJMLHOQQRGIT-ZDUSSCGKSA-N 397.406 3.505 0 40 GHAB O=C(c1cccc2ccccc12)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 38727947 AULMGXWNAOLRRN-VQTJNVASSA-N 390.508 3.989 0 40 GHAB CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3-n3cccn3)cc2C1=O 40088398 XQSDFAJTTSJQFT-UHFFFAOYSA-N 388.427 3.521 0 40 GHAB CC[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)c1ccc(C)cc1 40098464 FNPDROYTWLEQRO-GOSISDBHSA-N 389.521 3.827 0 40 GHAB NC(=O)COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)cc1 40267198 LJYVIVACNIOFNN-CQSZACIVSA-N 396.834 3.513 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)c1 41184731 SYWGLGHJGBWIIH-UHFFFAOYSA-N 384.823 3.920 0 40 GHAB CC(C)Oc1ccc(-c2noc(Cn3nc(-c4ccccc4)ccc3=O)n2)cc1 44166153 UOGBXSCBYSXYRL-UHFFFAOYSA-N 388.427 3.796 0 40 GHAB C[C@H](NC(=O)Cc1csc(-c2ccco2)n1)c1ccc2c(c1)CCC(=O)N2 45981859 ULIUJHWZKGSLLI-LBPRGKRZSA-N 381.457 3.708 0 40 GHAB CC(C)N(C[C@@H]1CCCN(C(=O)NCc2ccco2)C1)C(=O)OC(C)(C)C 50076714 WCZOGTKFKAMVPZ-MRXNPFEDSA-N 379.501 3.847 0 40 GHAB O=C(CNc1ccccc1N1CCC(O)CC1)Nc1cccc2ccccc12 55888171 PRUGMIIXLLSVEA-UHFFFAOYSA-N 375.472 3.852 0 40 GHAB COc1cccc(N2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)c1 57450575 IZAKPUULTOIQMQ-UHFFFAOYSA-N 384.867 3.721 0 40 GHAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 58008395 VWANORCXEZGKKG-UHFFFAOYSA-N 384.436 3.794 0 40 GHAB CC(C)(NCc1cc(Br)c2c(c1)OCO2)c1ccc2c(c1)OCO2 58143474 NUZNHRJDAMOPFR-UHFFFAOYSA-N 392.249 3.931 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N[C@H](C)c2cccc(Cl)c2)cc1 58170290 GJSCLTGUDCFUKW-CVEARBPZSA-N 387.911 3.785 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc4cc(Cl)ccc4n3C)CC2=O)cc1 60211236 HFHDQYVGGKQHCN-ZDUSSCGKSA-N 382.851 3.527 0 40 GHAB Cc1nn(C)c(Cl)c1/C=C/C(=O)NCCc1nc(-c2ccccc2)oc1C 65488221 SXMDKWLDFHTESW-MDZDMXLPSA-N 384.867 3.717 0 40 GHAB Cc1cc2nc(SCC(=O)N[C@@H](C)c3ccccc3)n(CC(C)C)c(=O)c2[nH]1 67319719 LTAXTLKMUPBVEX-HNNXBMFYSA-N 398.532 3.659 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1 72014173 YIQSXOPUNOXWQG-IYBDPMFKSA-N 376.928 3.739 0 40 GHAB CC[C@H](Nc1nc(N(C)C)cc(C(F)(F)F)n1)[C@@H](O)c1c(F)cccc1F 72302503 LLXGUGGULLSWHV-XHDPSFHLSA-N 390.356 3.764 0 40 GHAB Cc1ccc(C(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)cc1C 77158831 ITUSGWFJLQONJF-UHFFFAOYSA-N 388.515 3.625 0 40 GHAB O=C(CCc1nnc(-c2ccsc2)o1)NC[C@H]1CCCN1Cc1ccccc1 89834933 PPFWTVHYDRBRBQ-GOSISDBHSA-N 396.516 3.512 0 40 GHAB COC(=O)[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccc(OC(F)F)cc1 95460692 XNVXLPZSUSUDEH-MRXNPFEDSA-N 393.317 3.817 0 40 GHAB Cc1nc(C(=O)Nc2ccc(Cn3cncn3)cc2)c(Cc2ccccc2)s1 95475770 KRSONFQFOZOGGE-UHFFFAOYSA-N 389.484 3.934 0 40 GHAB N[C@H](c1ccc(Cl)cc1)c1nc(-c2cc(Br)ccc2O)n[nH]1 95533993 SZGPTYOCIUKHFI-CYBMUJFWSA-N 379.645 3.641 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)cc(C)n2)c1 95972418 DHUYNQVTLNMFBH-UHFFFAOYSA-N 395.912 3.635 0 40 GHAB c1ccc(-n2nc(CN3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)c3c2CCC3)cc1 95980436 PDUFJJCYCHKFHW-QGZVFWFLSA-N 388.519 3.736 0 40 GHAB COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccc(C)o1)CC2 96061348 TUZYSKYAGTZZOD-OAQYLSRUSA-N 382.504 3.585 0 40 GHAB COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1c(O)n[nH]c1Cc1ccccc1 96117558 BHVZTKKHGXLCAJ-CYBMUJFWSA-N 390.361 3.818 0 40 GHAB O=C(Cc1ccsc1)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 96120401 GTZTWYWCWYCMOV-UHFFFAOYSA-N 382.485 3.705 0 40 GHAB Cc1cc(OCC(=O)c2ccccc2)ccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 100396978 BAZQIEZAPXIYPD-KLDKWKSESA-N 389.451 3.792 0 40 GHAB COc1ccc([C@@H](c2c(O)c3ccccc3oc2=O)N2CCCC2)c(OC)c1 104241845 BPCIYXKSFOCOMQ-FQEVSTJZSA-N 381.428 3.701 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)N1CCCC1 205868536 GQVSVKGVCXQOJV-NTUHNPAUSA-N 385.272 3.652 0 40 GHAB O=C(Nc1nc2c(s1)CCCC2)C1CCN(c2cc(C3CC3)ncn2)CC1 206654339 PZISDSVKEFFLCW-UHFFFAOYSA-N 383.521 3.544 0 40 GHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cl)cc1)c1ccccc1F 222650258 CZEXIUFEXVVVTB-UHFFFAOYSA-N 384.860 3.664 0 40 GHAB COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)C(C)C 222914330 SBDRKUHTNLECRP-INIZCTEOSA-N 386.467 3.524 0 40 GHAB CCCCOc1ccc(C(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1 224356292 KMMZBJYFVIMTGB-UHFFFAOYSA-N 397.523 3.964 0 40 GHAB CSc1nnc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)s1 224836837 XMBVSSCNNFQLRN-UHFFFAOYSA-N 382.942 3.764 0 40 GHAB COc1ccc(Cl)cc1NC(=S)N1CCN(C2CCSCC2)CC1 225216733 SLLPGVIQZMJHQO-UHFFFAOYSA-N 385.986 3.559 0 40 GHAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)NCc1ccccc1 225817858 AOYUWDYXMGDTPA-UHFFFAOYSA-N 386.249 3.748 0 40 GHAB Cn1nc(OCCC(=O)NC2CCCCC2)c2cc(Br)ccc21 226865479 SWZJMUJJTQOAGR-UHFFFAOYSA-N 380.286 3.554 0 40 GHAB CCc1nccn1CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257219207 DGAGHYSJCIDXBH-QGZVFWFLSA-N 396.466 3.570 0 40 GHAB CCCNC(=O)N1CCC(Cc2cc(Nc3cc(C)n[nH]3)nc(C3CC3)n2)CC1 257251793 JSGLCOKOPAAFFZ-UHFFFAOYSA-N 397.527 3.503 0 40 GHAB O=C(CN1[C@H](Cc2ccccc2)C[C@@H]2NCCCCC[C@H]21)Nc1ccc(F)cc1 257267843 MIYOQLUEDKSESY-XPWALMASSA-N 395.522 3.982 0 40 GHAB O=C1CO[C@@]2(CCCN(CCc3ccc(F)cc3)CC2)CN1Cc1ccccc1 257294190 QSZXGFDSZMQCGN-XMMPIXPASA-N 396.506 3.652 0 40 GHAB CCN(C(=O)CSc1n[nH]c(COc2ccccc2F)n1)c1ccccc1 408547490 XXQYDYQDALSLLT-UHFFFAOYSA-N 386.452 3.668 0 40 GHAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)sc2c1 408626463 HKYFHEUDCVICOA-UHFFFAOYSA-N 399.497 3.811 0 40 GHAB CCOc1cc([C@@H]2NC[C@H](C(=O)O)S2)ccc1OCc1ccc(F)cc1 408980804 XVLDOBITCQCFJL-QZTJIDSGSA-N 377.437 3.592 0 40 GHAB Cc1cccc([C@@H]2CCN(C(=O)COc3cccc(NC(=O)C4CC4)c3)C2)c1 541373301 GPUPVYRGIRMSAG-LJQANCHMSA-N 378.472 3.738 0 40 GHAB CC(C)Oc1ccc(NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c(C(F)(F)F)c1 580159522 DWHXLTWEJZYEFJ-DLTLXFJOSA-N 382.382 3.910 0 40 GHAB O=C(Cc1ccc(Br)cc1)NCc1cc(-c2ccccc2)ncn1 585358097 PWZOXGORTRAJAP-UHFFFAOYSA-N 382.261 3.765 0 40 GHAB CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(Nc3ccn(C)n3)cc2)cs1 669270782 DVVFMCSAFVRZGO-CQSZACIVSA-N 399.520 3.990 0 40 GHAB FC(F)(F)CN1CCC[C@@H](CNc2nc(-c3cccnc3)nc3c2CCC3)C1 1655615135 XLTXAPMSSHRVGJ-AWEZNQCLSA-N 391.441 3.714 0 40 GHAB O=S(=O)(NCC1(c2ccsc2)CC1)c1ccc(Br)s1 1889021437 STXYMQAPCGOFSR-UHFFFAOYSA-N 378.338 3.582 0 40 GHAB O=C(NCc1ccco1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 631507 YKNUSIQGYUYDGY-UHFFFAOYSA-N 390.848 3.664 0 40 GHAB Brc1ccc(OCc2cn3cccnc3n2)c(Br)c1 952188 LUISYPLLGJIUKN-UHFFFAOYSA-N 383.043 3.833 0 40 GHAB CCCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1cccnc1 1361262 GXNXADOGSGLNPY-UHFFFAOYSA-N 397.504 3.880 0 40 GHAB CCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccn1 1362629 DSUZENUVPWLIPU-UHFFFAOYSA-N 393.516 3.822 0 40 GHAB Cc1cc2cc(CN(Cc3ccccc3)C(=O)N(C)C)c3nnnn3c2cc1C 1367440 ROCUGASXHCYFFM-UHFFFAOYSA-N 388.475 3.578 0 40 GHAB CSc1nc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2s1 1431532 DPWIOIZCUCMMBZ-UHFFFAOYSA-N 394.499 3.590 0 40 GHAB COc1ccc(C(=S)N2CCN(c3ccccc3Cl)CC2)cc1OC 1569416 JGSRJYYYASWBLQ-UHFFFAOYSA-N 376.909 3.855 0 40 GHAB COC(=O)c1c(-c2ccccc2Cl)noc1-c1cnc(N)nc1C(F)(F)F 2567106 YENSFEPBAHLUEL-UHFFFAOYSA-N 398.728 3.840 0 40 GHAB Cc1c(Cl)cccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 2648227 SOWAMUAQDBXZMO-UHFFFAOYSA-N 392.908 3.688 0 40 GHAB Cn1cc(-c2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)cn1 2809774 MFKTVZFYACNGMP-UHFFFAOYSA-N 389.847 3.720 0 40 GHAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)nc2n1 3390427 FSOGGTSNFLLVSI-VIFPVBQESA-N 397.291 3.562 0 40 GHAB CCOC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 3489326 ZTKXRJQCMZQXCT-UHFFFAOYSA-N 392.839 3.833 0 40 GHAB COC(=O)c1c(N[C@H]2OC(=O)c3ccccc32)sc(C(=O)OC(C)C)c1C 4384834 ZPCRLFZYKPJOIZ-HNNXBMFYSA-N 389.429 3.689 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCOc2ccc3ccccc3c2)c2c(C)cccc21 4988000 NFNRWURWZYFREO-XMMPIXPASA-N 389.451 3.741 0 40 GHAB COc1ccccc1-c1nnc(SCc2cccc(Br)c2)n1N 5047448 TYCVDQHQGNPNDP-UHFFFAOYSA-N 391.294 3.722 0 40 GHAB CC(C)(C)c1cc(NC(=O)COC(=O)c2ccccc2O)n(-c2ccccc2)n1 5078079 SOCCJNJDTAEGOG-UHFFFAOYSA-N 393.443 3.671 0 40 GHAB COc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1N1CCCC1=O 5329713 HBPGPBCTIOIEJI-UHFFFAOYSA-N 396.468 3.776 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2nc(-c3ccccc3)oc2C)c1C 5537047 PRPSWDGVCKWYLJ-UHFFFAOYSA-N 380.400 3.837 0 40 GHAB COc1cc(/C=C2\NC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 6169376 SCYRZXQAJZESGR-DHDCSXOGSA-N 388.876 3.615 0 40 GHAB CCc1cccc(OCC(=O)Nc2cccc(I)c2)c1 6284880 WVDKYPYLUKABPD-UHFFFAOYSA-N 381.213 3.871 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2CC)C1 6754344 FZAVLWKVHFQTNH-CQSZACIVSA-N 389.883 3.503 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)NC1CCN(Cc2ccccc2)CC1 6806391 UVKHQVDEQDDBSI-UHFFFAOYSA-N 380.517 3.637 0 40 GHAB COc1ccccc1CNc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 7109542 MUQDJCBVKLKWPI-UHFFFAOYSA-N 389.502 3.802 0 40 GHAB CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCOC)cc1 7262617 OBPVUWJGZXOBBF-HXUWFJFHSA-N 393.439 3.773 0 40 GHAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccccn2)cc1 7499641 MHUPUXVUTCRASX-UHFFFAOYSA-N 385.423 3.509 0 40 GHAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)NC12CC3CC(CC(C3)C1)C2 7577585 AQAAHHXZBSLLGV-DJCSNXPJSA-N 378.567 3.678 0 40 GHAB Cc1noc(C)c1COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 7778661 PALSSRATONRBHR-UHFFFAOYSA-N 379.825 3.830 0 40 GHAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccccc2)cc1 7939902 CNEXKEFJNKWAMT-MDWZMJQESA-N 381.428 3.695 0 40 GHAB CS(=O)(=O)Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 8271237 PWVQXHUZXISQDK-GOSISDBHSA-N 377.893 3.766 0 40 GHAB COc1ccc(OCC(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1 8863206 LNZMFWFERCZUKC-HXUWFJFHSA-N 388.533 3.869 0 40 GHAB C[C@H](NC(=O)Cn1nc(-c2cccs2)oc1=O)c1cccc2ccccc12 9752435 VVUXUNUKASTCCH-ZDUSSCGKSA-N 379.441 3.595 0 40 GHAB Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)n2nnnc2N3)cc1 10336840 CFWKDMVWSQTVFT-FGZHOGPDSA-N 394.438 3.936 0 40 GHAB Cc1ccc(N(CCCC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1C 10359745 XGYAYYYRDGSDBQ-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB COc1cc(CC(=O)N2CCC(c3ccccc3F)CC2)cc(OC)c1OC 12113946 QBLQITQUUIJAQZ-UHFFFAOYSA-N 387.451 3.800 0 40 GHAB Cc1ccc(C(=O)O)cc1N[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 12546162 LDXZWGFIZDDBCP-HNNXBMFYSA-N 393.226 3.744 0 40 GHAB Cc1cccc2c(=O)n(CCCC(=O)NCC3(c4ccccc4)CCC3)cnc12 12768654 GTDXBNIQINCJLC-UHFFFAOYSA-N 389.499 3.723 0 40 GHAB Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 12795167 XSPSVBSUNSLGFG-AWEZNQCLSA-N 384.480 3.949 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 12795659 QRZQKEOSCHNLBV-IBGZPJMESA-N 383.444 3.842 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1csc(COc2ccc(F)cc2)n1 12848588 CBXPQBBSWXRYPN-UHFFFAOYSA-N 386.404 3.900 0 40 GHAB CC[C@@H](NCC(=O)Nc1cc2c(cc1C(C)=O)OCO2)c1ccc(Cl)cc1 12912571 BPSBOXLQWDZVBS-MRXNPFEDSA-N 388.851 3.951 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(C3CC3)n2N)c2ccccc2)c1 12914842 IYLGLMATFKIKDY-GOSISDBHSA-N 393.516 3.958 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccc(F)cc1F 12971459 GRHSAHLVQARPGI-CHWSQXEVSA-N 378.444 3.756 0 40 GHAB CC1(C)CC(NC(=O)C2(c3ccc(Br)cc3)CC2)CC(C)(C)N1 13006181 JZAPHKPDZCPZHS-UHFFFAOYSA-N 379.342 3.906 0 40 GHAB CC(=O)N[C@H](C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)C(C)C 13006579 YXBIOVLBGUHLEG-HNNXBMFYSA-N 399.438 3.852 0 40 GHAB COc1ccc(CCN(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1OC 13022788 DGYYOEIUEXUEMV-UHFFFAOYSA-N 393.487 3.821 0 40 GHAB COc1c(C[C@@H]2CC(c3cccc(Cl)c3)=NO2)cc2c(c1OC)OCO2 15085940 WTIODNLHOQGQAG-CQSZACIVSA-N 375.808 3.822 0 40 GHAB CN(CC(=O)N(Cc1ccco1)C1=CCCCC1)C[C@H]1COc2ccccc2O1 15297201 ZRRZFUWBJXOWQB-FQEVSTJZSA-N 396.487 3.838 0 40 GHAB COc1ccc(OC)c(Nc2nc(N(C)C)nc3c2cnn3-c2ccccc2)c1 16915062 DNBPZYYXIAEXGF-UHFFFAOYSA-N 390.447 3.642 0 40 GHAB CCCCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 17442777 SCWYIXCJLPTGCO-UHFFFAOYSA-N 378.469 3.889 0 40 GHAB COc1ccc([C@@H]2CN(C(C)=O)[C@H]3CCN(Cc4cccc(C)c4)C[C@H]32)cc1 19235058 COFMHRRGLJYITH-HJOGWXRNSA-N 378.516 3.840 0 40 GHAB CCCc1cc(C(=O)N2Cc3ccccc3OC3(CCC(NC)CC3)C2)no1 19525377 RERQWGHUSRIREA-UHFFFAOYSA-N 383.492 3.563 0 40 GHAB COc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)cc1 19555468 QQBRVPVKHYYFLI-FKBYEOEOSA-N 396.556 3.983 0 40 GHAB COc1ccc(OCCN(C)Cc2c(C3CCOCC3)[nH]c3ncccc23)cc1 19586160 VICDFFRWCPRBRN-UHFFFAOYSA-N 395.503 3.976 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)COc1ccccc1F)Cc1ccccc1O2 19591970 DXPAGTQXLNDSTL-UHFFFAOYSA-N 398.478 3.527 0 40 GHAB COc1ccc2[nH]c(C(=O)N3CC[C@@H](c4ccccc4)C3)c(NC(C)=O)c2c1 19656412 BAJYJSVIJAHWHB-MRXNPFEDSA-N 377.444 3.765 0 40 GHAB Cn1cc(-c2csc(NC(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)n2)cn1 19715632 QATSUOKBCZWGHE-GFCCVEGCSA-N 385.493 3.935 0 40 GHAB Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1 20121777 DEJFVJKGSUXMJK-QFIPXVFZSA-N 394.567 3.746 0 40 GHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cccc(C(=O)OCC(C)C)c1 20719420 FTNSQYTVUNPQEP-IBGZPJMESA-N 385.416 3.798 0 40 GHAB O=C(OCc1nnsc1Cl)c1nc(-c2ccccc2)n(-c2ccccc2)n1 21604087 CACGCZVFPAFXPQ-UHFFFAOYSA-N 397.847 3.796 0 40 GHAB CCOC(=O)N1CCN([C@H](c2ccccn2)c2c(C)[nH]c3ccccc23)CC1 21673336 OKBFLDRJCQKBMB-OAQYLSRUSA-N 378.476 3.735 0 40 GHAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 21763172 NGLHOHRXVCPRLO-UHFFFAOYSA-N 392.377 3.743 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22397508 MOOVQCBDYYMFNB-KRWDZBQOSA-N 388.533 3.762 0 40 GHAB COc1ccc(-c2ccnc3nc(N4CCc5ccccc5C4)[nH]c(=O)c23)cc1 22606781 DMKAPXUIMNSXJT-UHFFFAOYSA-N 384.439 3.556 0 40 GHAB COc1ccc(C(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)cc1 23106360 LGRNBJUNFLDANJ-HSZRJFAPSA-N 390.483 3.652 0 40 GHAB Cc1ccccc1SCC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 24703953 UUFNOLQRSAKRTO-OAHLLOKOSA-N 395.488 3.517 0 40 GHAB O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC2(CC1)OCCO2 24997203 ITTHRXMRRJASHV-UHFFFAOYSA-N 376.456 3.669 0 40 GHAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)Cc1nnc(-c2cccs2)o1 25407005 MUWQULXPJNPYJO-UHFFFAOYSA-N 387.490 3.508 0 40 GHAB COc1ccc(CN2CCN(Cc3cc(F)cc4cccnc34)CC2)cc1F 25925841 WMGMDCJEDRRRSF-UHFFFAOYSA-N 383.442 3.839 0 40 GHAB COc1ccc(CSc2nnc(Nc3cccc(C)c3C)c(=O)n2C)cc1 28539015 IMNSLKINMSVHGM-UHFFFAOYSA-N 382.489 3.837 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1Cl 30753796 ULDZRWQBRCUBSQ-LBPRGKRZSA-N 377.824 3.931 0 40 GHAB COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@@H]2C)OCO4)c1O 31430160 HRGWMGTYIRQYMO-XOJPMGEXSA-N 383.444 3.712 0 40 GHAB CCCOc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(OC)nn2)cc1 32074213 ASGYDRLASKSUPK-MRXNPFEDSA-N 393.447 3.892 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(F)cc1Br 32740874 VCBDQQGKDVQWET-UHFFFAOYSA-N 386.242 3.552 0 40 GHAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 32754453 PLQVQGUKVKTJDT-QGZVFWFLSA-N 393.487 3.901 0 40 GHAB C[C@@H](NC(=O)CNc1cccc(Cl)c1N1CCOCC1)c1cccs1 32770415 QJTVTBNEGYCCGR-CYBMUJFWSA-N 379.913 3.527 0 40 GHAB O=C(NC[C@H](CO)Cc1ccsc1)C1c2ccccc2Oc2ccccc21 32803159 OWYWIDKDXKPTQJ-MRXNPFEDSA-N 379.481 3.953 0 40 GHAB C[C@]12C[C@H](c3ccccc3O1)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N2 35127813 CTPFQTOWZIWMNG-IDHHARJASA-N 390.361 3.672 0 40 GHAB COc1cccc(C(=O)NC2CCN(C(=S)Nc3cccc(C)c3)CC2)c1 35311157 JNUUMAUHYACNNV-UHFFFAOYSA-N 383.517 3.595 0 40 GHAB COc1cccc(-c2cc(C(F)(F)F)c3c(n2)sc2c(=O)[nH]c(O)nc23)c1 35326366 BQRXDDDMAXWINQ-UHFFFAOYSA-N 393.346 3.933 0 40 GHAB COC(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1 40128942 MVXQXXQUAPWWRJ-INIZCTEOSA-N 396.468 3.909 0 40 GHAB CCc1nnsc1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 42730355 YXTJEOWZUBUVAH-UHFFFAOYSA-N 376.869 3.915 0 40 GHAB COC(=O)C[C@H](NC(=O)Nc1ccccc1-n1nc(C)cc1C)c1cccs1 44208892 IOPYMSOKQOESHE-INIZCTEOSA-N 398.488 3.977 0 40 GHAB Cc1cccc(CSCCNC(=O)c2ccc(CN3CCCC3=O)cc2)c1 44847524 JDRKNFOORYCAJQ-UHFFFAOYSA-N 382.529 3.781 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872954 KHCRXALIWXRZMN-QFIPXVFZSA-N 382.504 3.765 0 40 GHAB CC(C)Oc1nnc(S[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)s1 48310443 XBOCLEKALOBJOM-IWERZKIRSA-N 381.567 3.891 0 40 GHAB CC(C)c1ccc(OCCNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 48369250 HFEYHVVLTMXVKO-UHFFFAOYSA-N 380.488 3.675 0 40 GHAB Cc1ccc(C)c(NC(=O)CN2CCc3[nH]c4c(C)cc(C)cc4c(=O)c3C2)c1 49003222 NJYVQKHTMOYERO-UHFFFAOYSA-N 389.499 3.759 0 40 GHAB CC[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1OCC(=O)N(C)C 55598700 UOHJUYWIRIHADM-SFHVURJKSA-N 379.460 3.516 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1ccc(Br)s1 71283958 KKYBFOSCMHNASE-SECBINFHSA-N 398.282 3.702 0 40 GHAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1cncc(Br)c1 72228758 LYWHRYAIKFQSKX-UHFFFAOYSA-N 377.267 3.905 0 40 GHAB CO[C@@H](CNC(=O)[C@@H](NC(=O)c1cccs1)C(C)C)c1ccc(Cl)cc1 72296780 OPMQIQVKIGBKCV-RDJZCZTQSA-N 394.924 3.660 0 40 GHAB Cc1cnccc1-c1cn(C)nc1-c1cccc(CNC(=O)Cc2cccnc2)c1 72345007 UVGONYUMDWZIMH-UHFFFAOYSA-N 397.482 3.711 0 40 GHAB O=C(CN1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCCCC1 72358521 ORRLRJCKHVZSJB-GOSISDBHSA-N 398.938 3.989 0 40 GHAB Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4c[nH]nc4-c4cccs4)C[C@H]32)nc1 72392562 AMQPKDAVORRCIR-XPIZARPCSA-N 380.517 3.571 0 40 GHAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 77200853 BVJIGNCJEZVQEX-OAHLLOKOSA-N 393.283 3.765 0 40 GHAB COC(=O)C[C@H](NC(=O)CNc1ccccc1Cl)c1ccccc1Cl 83884624 NGPFZAWWDJTIES-INIZCTEOSA-N 381.259 3.826 0 40 GHAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cccc(NC(=O)c2cccnc2)c1 89522731 HKAGVILCXMHJGD-IBGZPJMESA-N 389.459 3.651 0 40 GHAB CC1=NN(c2ccc(C(=O)NC3(c4noc(C5CC5)n4)CCCC3)cc2)CC1 89919809 WAEYYWAJRTYOAT-UHFFFAOYSA-N 379.464 3.732 0 40 GHAB COc1ccccc1S(=O)(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1 95958333 DESUXGIYSGHEND-UHFFFAOYSA-N 383.473 3.868 0 40 GHAB CCc1ccc(C(=O)N2C[C@H](C(=O)Nc3ccccc3)C3(CCOCC3)C2)cc1 96078688 NKENTUAFZKBLNL-OAQYLSRUSA-N 392.499 3.757 0 40 GHAB CCn1c(=O)c(C(=O)Nc2nc3ccc(C)cc3s2)c(O)c2ccccc21 100602516 RWQKSEPWBAVGPT-UHFFFAOYSA-N 379.441 3.897 0 40 GHAB C[C@@H](NC(=O)COc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101092393 RRRPKXRIEOGBQQ-NNFUDEMPSA-N 382.460 3.852 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 102151912 BYTOZIMTJAVZJH-UHFFFAOYSA-N 399.472 3.824 0 40 GHAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 106748299 RJOVNJQXBYBFEH-NFAWXSAZSA-N 375.881 3.530 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1C 107548905 SQHAHXATHDRAPT-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB C[C@@H](NC(=O)C(=O)NCc1ccc(C(=O)c2cccs2)s1)c1ccccc1 206678353 HPSQMNYUXNMDAV-CYBMUJFWSA-N 398.509 3.534 0 40 GHAB Cc1ccc(S(=O)(=O)NCc2ccc([C@@H](O)c3ccccc3)s2)c(C)c1 207970948 DRBQMOXUXDUMQK-FQEVSTJZSA-N 387.526 3.925 0 40 GHAB CC1CCN(S(=O)(=O)c2cccc(C(=O)NCCC3=CCCCC3)c2)CC1 219997208 JKIVRWVLQBBLJA-UHFFFAOYSA-N 390.549 3.728 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1Cl)N(c1cccc(OC)c1)S(C)(=O)=O 220610734 CTHBMSZQDYDCIO-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB COc1ccc(S(=O)(=O)NCCSC2CCCC2)c(Cl)c1Cl 223829927 UXGLJVAAUDYKSU-UHFFFAOYSA-N 384.350 3.956 0 40 GHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)[nH]1 224034554 SZBPLLUMFQPBFH-MOPGFXCFSA-N 378.457 3.624 0 40 GHAB Cc1cccc(OCCNC(=O)COc2ccc(Cl)cc2Br)c1 224246279 RTKNEOLFDSQTMI-UHFFFAOYSA-N 398.684 3.985 0 40 GHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224457177 KBUHONHWFUPTKD-IBGZPJMESA-N 396.531 3.817 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(CN2CCOCC2)cc1 224573086 GNJRMHYOQDGISI-QFIPXVFZSA-N 396.531 3.609 0 40 GHAB CC(C)[C@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 225186985 ROTMGXVQFDJXCE-HNNXBMFYSA-N 394.924 3.696 0 40 GHAB O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1)Nc1ccccc1 225496382 GZDVIGHHFCWQOV-RBUKOAKNSA-N 394.525 3.754 0 40 GHAB C[C@@H](O)c1ccc(C2(CNS(=O)(=O)c3ccccc3F)CCCC2)s1 225683666 JUPSRHARXZZYTR-CYBMUJFWSA-N 383.510 3.731 0 40 GHAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1ccccc1Br 225749810 LQNPCLWSSHPVSD-UHFFFAOYSA-N 375.197 3.542 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(C(F)(F)F)n1 225893016 AIDMNOYRMZDSNW-LLVKDONJSA-N 375.464 3.674 0 40 GHAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 225965220 LXMKQEITZPNBNN-ZDUSSCGKSA-N 380.897 3.617 0 40 GHAB NC(=O)C[C@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccccc2)C1 257292705 QMPXEUKPLXDLQD-OAQYLSRUSA-N 386.879 3.517 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCc2ccccc2)[C@@H]1c1ccc(OC)cc1 257305819 SRRPORWQXDDWOU-GGAORHGYSA-N 394.515 3.696 0 40 GHAB NC(=O)COc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408554838 DLWXWUNBZAIYMY-QGZVFWFLSA-N 397.283 3.636 0 40 GHAB CCOC(=O)Cn1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c2ccccc21 409145294 PYTWPGUNWBAANW-MFOYZWKCSA-N 386.473 3.897 0 40 GHAB COc1ccc(C)cc1-n1ccc(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)n1 540777188 AIXYYRSRSRLKTN-QGZVFWFLSA-N 395.434 3.972 0 40 GHAB C/C(=C\C(=O)NCc1nnc(S)n1C1CC1)c1ccccc1C(F)(F)F 584907115 QUECBRSTVWTROI-CSKARUKUSA-N 382.411 3.640 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)O[C@H](C(=O)N(C)C)c2ccccc23)c1 585109628 GQOJPOCQRDEVRP-NRFANRHFSA-N 392.499 3.594 0 40 GHAB CC(C)CCOc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1F 599800636 XNMQSHXYUJXNJM-MOZQLWJVSA-N 382.501 3.768 0 40 GHAB COc1cccc(C[C@H]2CCCN2C(=O)c2cc(C(F)(F)F)cnc2O)c1 635392924 AZGUCKWDIQWQPZ-CQSZACIVSA-N 380.366 3.662 0 40 GHAB CN(CC1=CCCOC1)C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 665774611 REFZXGAEOAFPQZ-UHFFFAOYSA-N 388.537 3.816 0 40 GHAB O=C(O)[C]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F 1560404637 YXXVWCAUDZHRCI-HWYSMQLTSA-N 398.393 3.558 0 40 GHAB CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@](COc2ccccc2)(OC)C1 2037909345 VZDDKZWYAVYRTC-JOCHJYFZSA-N 385.508 3.727 0 40 GHAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NC[C@@H]2CCCO2)cc1 704060 YIEQNIJRAACBDD-AWEZNQCLSA-N 388.445 3.667 0 40 GHAB aggregator CC[C@@H](C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 938358 MYBCUHUIWKAMIT-CHWSQXEVSA-N 376.522 3.951 0 40 GHAB O=C(COc1cccc(F)c1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 2651231 MFJYIQOJMHDVFM-UHFFFAOYSA-N 380.423 3.828 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1c(F)cccc1F 3264368 DCDYBUDTWARBQA-UHFFFAOYSA-N 383.778 3.958 0 40 GHAB Cc1noc(C)c1COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 3318862 FYWSJVXDTDOCME-UHFFFAOYSA-N 380.400 3.557 0 40 GHAB O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)NCCC1=CCCCC1 3359978 BVEKZSUYFYFLAF-DHZHZOJOSA-N 379.403 3.851 0 40 GHAB CCc1ccc(C(=O)[C@@H](C)OC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1 3367258 AFNJVWUJFJKDLI-PEBXRYMYSA-N 395.480 3.992 0 40 GHAB CCCCn1c(SCC(=O)N2CCc3ccccc32)nc2ccccc2c1=O 3477522 NBHHOHSQUPGFPC-UHFFFAOYSA-N 393.512 3.878 0 40 GHAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1c(C)cc(C)cc1C 3497145 FPARBAVCEYZQIS-UHFFFAOYSA-N 397.504 3.717 0 40 GHAB Cc1cc(O)c2c(C)c(CC(=O)N[C@H](C)CCc3ccccc3)c(=O)oc2c1 4090116 HFOIWIBAVXISBS-OAHLLOKOSA-N 379.456 3.795 0 40 GHAB biogenic Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 4305182 CJUXGHHVLHAJGG-FQEVSTJZSA-N 382.485 3.670 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cccs2)cs1 4585736 IRRIYPQLIJBEHM-UHFFFAOYSA-N 378.500 3.918 0 40 GHAB CC[C@H](C)[C@H](C(=O)Nc1nc2ccccc2s1)N1C(=O)c2ccccc2C1=O 5046962 KXJFMNCKOOEVRA-YVEFUNNKSA-N 393.468 3.946 0 40 GHAB COc1ccc(C(=O)N2CCN(c3nc4c(Cl)cccc4s3)CC2)cc1 5181909 QTQXXMQEMJQVPZ-UHFFFAOYSA-N 387.892 3.921 0 40 GHAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1cc2c(s1)CCCCC2 5279534 SJVULUXSHPGWCW-UHFFFAOYSA-N 398.528 3.523 0 40 GHAB Cc1ccc(Nc2nc(N)nc(COC(=O)CCSc3ccccc3)n2)cc1 5321214 AQKOIGBYJLAEJV-UHFFFAOYSA-N 395.488 3.731 0 40 GHAB CCSc1nnc(SCC(=O)NC(=O)Nc2ccc(C)cc2C)s1 5450253 ADDVMAGWFWSGAT-UHFFFAOYSA-N 382.536 3.707 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)NCCc1csc(-c2cccs2)n1 5451547 SLQVVVRWTDYRET-UHFFFAOYSA-N 394.543 3.710 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2c(C)cccc2C)cc(OC)c1OC 5779667 QYLRJBDCUUQTQC-MDZDMXLPSA-N 399.443 3.524 0 40 GHAB COc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 6146457 VEKAFAWIFQTLFU-UHFFFAOYSA-N 388.470 3.810 0 40 GHAB COc1ccc(CC(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1OC 6206884 HDMOLUNTPRTECA-UHFFFAOYSA-N 382.412 3.713 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc(Cl)cc1 6225092 RUWCIUXZPRKZMP-UHFFFAOYSA-N 390.848 3.664 0 40 GHAB O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 6328825 JCMKWGLFIUEYLQ-UHFFFAOYSA-N 390.848 3.664 0 40 GHAB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccccc1OC 6348355 YWJIECRFPVIIFL-UYRXBGFRSA-N 391.423 3.775 0 40 GHAB COc1ccc(-c2noc(CN(C(=O)CC(C)(C)C)C(C)C)n2)cc1OC 6662027 UBZBWHJMHZZYJJ-UHFFFAOYSA-N 375.469 3.927 0 40 GHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc2oc3ccccc3c2c1 7427676 XNELKLREIBNJPP-UHFFFAOYSA-N 391.427 3.779 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1OC 7689142 MLUCEJZCDKZWQF-CQSZACIVSA-N 375.490 3.622 0 40 GHAB CCc1nnc2sc(-c3cccc(NC(=O)COc4cccc(C)c4)c3)nn12 8071505 GLAXKZBHAQBJAR-UHFFFAOYSA-N 393.472 3.741 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C(C)(C)C 8132487 RFTOZMDYWBTIJK-UHFFFAOYSA-N 376.478 3.752 0 40 GHAB O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc2ccccc2c1 8215748 CTHLRUQQXXRQMW-JOCHJYFZSA-N 383.451 3.785 0 40 GHAB COC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)ccc3o2)sc2c1CCC2 8916358 BEZCFUXQZLDRMD-UHFFFAOYSA-N 383.425 3.691 0 40 GHAB CC(C)Cn1c(S[C@@H](C)C(=O)NC2CCCCC2)nnc1-c1cccnc1 9595000 CPMCGPSLGLTPIA-HNNXBMFYSA-N 387.553 3.926 0 40 GHAB O=c1cc(Cc2ccccc2)[nH]c2nc(SCc3ccc(Cl)cc3)nn12 10152764 FPFDVOMGGSLJSS-UHFFFAOYSA-N 382.876 3.954 0 40 GHAB O=C(CSc1nc2ccccc2c2nc(-c3ccncc3)nn12)c1ccco1 10157688 VXDUCMJGCKOXOU-UHFFFAOYSA-N 387.424 3.908 0 40 GHAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N(C)C)c1 10333810 KIQMRMBCVAMTQC-JOCHJYFZSA-N 389.499 3.814 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2ccsc2)c1 10446454 CDVOTVKHCHOFFH-UHFFFAOYSA-N 396.534 3.818 0 40 GHAB Cc1oc2c(c1CC(=O)NCc1nc(-c3ccccc3)no1)C(=O)CC(C)(C)C2 12202664 NGSDUYOUNVZYID-UHFFFAOYSA-N 393.443 3.652 0 40 GHAB CC[C@@H](CN1CCCCC1)NC(=O)Cc1csc(-c2ccccc2F)n1 12239804 DXHCZOAMJLSDMC-HNNXBMFYSA-N 375.513 3.872 0 40 GHAB Cc1cc(NC(=O)CSc2nc(C(C)(C)C)n[nH]2)n(-c2ccccc2C)n1 12260371 SACOSBQGFOHNNS-UHFFFAOYSA-N 384.509 3.636 0 40 GHAB COC(=O)c1ccc([C@@H]2CC(=O)c3c(C)cc4oc(=O)cc(C)c4c3O2)cc1 12296991 HVWXPTMRELPHGA-INIZCTEOSA-N 378.380 3.903 0 40 GHAB biogenic CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c1 12409456 IZMXKSVQBVMLRW-IBGZPJMESA-N 389.455 3.861 0 40 GHAB Cc1ccccc1-c1noc(C2CCN(S(=O)(=O)c3cccs3)CC2)n1 12415390 UPVDECJGBGPTDY-UHFFFAOYSA-N 389.502 3.675 0 40 GHAB Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccco1 12602041 FEAOPPNSZKBCFS-OTWHNJEPSA-N 396.535 3.669 0 40 GHAB biogenic,in-vitro CCCCn1c(S[C@H](C)C(=O)Nc2sccc2C(N)=O)nc(C)c1C 12740753 QUOHIEWOLAOJPW-GFCCVEGCSA-N 380.539 3.580 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccccc1F 12746909 NGUZVJGXVYRHQC-IBGZPJMESA-N 398.390 3.662 0 40 GHAB CC(C)(C)C(=O)N1CCC(C(=O)NCCSc2ccc(Cl)cc2)CC1 12791076 IBHKBJANWJLMFV-UHFFFAOYSA-N 382.957 3.833 0 40 GHAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccc(-c2nnn[nH]2)c1 12871845 ZNJWWGHNYVLQFZ-UHFFFAOYSA-N 389.390 3.728 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc(F)cc1F 12977603 ROXOFHRRPSSTED-UHFFFAOYSA-N 391.443 3.588 0 40 GHAB C[C@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)c1cc2ccccc2o1 12999166 GUHIBCHCAYAMCI-HNNXBMFYSA-N 378.428 3.816 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cccc(C(F)(F)F)c1 13583219 XIKLQLNXDQGTLB-UHFFFAOYSA-N 386.395 3.516 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)cc1 13675283 LDFPQDTWAQWYNT-QGZVFWFLSA-N 386.517 3.692 0 40 GHAB CCC(=O)Nc1nnc(S[C@@H](C(=O)NC2CCCC2)c2ccccc2)s1 13945445 CACJOXSWMNONGW-OAHLLOKOSA-N 390.534 3.779 0 40 GHAB COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 14006306 LOVAYFLARNLJBY-HNNXBMFYSA-N 394.427 3.624 0 40 GHAB CCOCCn1c([C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 14095761 QFMVUOOLLZLFIF-INIZCTEOSA-N 379.460 3.602 0 40 GHAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(c2ccc(F)cc2)CC1 14259770 HIODZPNSNCIYDP-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 14836292 ZIFZSJMVDSXAOG-UHFFFAOYSA-N 380.444 3.742 0 40 GHAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 15016748 SXRFZHMEWBFKOK-KRWDZBQOSA-N 384.823 3.962 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c(OC)c1 16635311 MFVDIZZKEHTVCP-INIZCTEOSA-N 390.439 3.849 0 40 GHAB COC(=O)c1oc2c(c1C)C(=O)C(Br)(Br)C(C)(C)C2 16739553 WKQKZUNVCWYODU-UHFFFAOYSA-N 394.059 3.626 0 40 GHAB O=S(=O)(c1ccccc1)N(Cc1nnc(-c2ccccc2)o1)c1nccs1 18342627 QWUMQAMKXYBSPM-UHFFFAOYSA-N 398.469 3.589 0 40 GHAB COc1ccc(-c2csc(CCNC(=O)[C@@H](C)n3cc(Cl)cn3)n2)cc1 19080189 OUTCTBUNEZBZBT-GFCCVEGCSA-N 390.896 3.589 0 40 GHAB O=C(NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1)C1CCCC1 19334532 SIVSYYOTOCORKY-UHFFFAOYSA-N 389.381 3.617 0 40 GHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCC2)C1 19591385 LPCLYMANTBMJMQ-DEOSSOPVSA-N 376.500 3.661 0 40 GHAB CCc1ncc(CN2CCC[C@H]2c2cc(CCOc3ccccc3F)[nH]n2)cn1 19703758 PHEOCRUSNGGWNF-FQEVSTJZSA-N 395.482 3.860 0 40 GHAB COC(=O)c1cc2cc(NC(=O)Cc3ccc4c(c3)OCCO4)ccc2s1 20029764 MLGJUUANADLKBX-UHFFFAOYSA-N 383.425 3.640 0 40 GHAB CC[C@H](NC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O)c1ccc(C)cc1 20483272 OQJKZOZNIXZLHH-PMACEKPBSA-N 388.533 3.807 0 40 GHAB Cc1ccc(NC(=O)CSc2c(C)c(C)cc(C)c2C)cc1S(N)(=O)=O 21405505 ZWHSOIXBOVTMTR-UHFFFAOYSA-N 392.546 3.607 0 40 GHAB Cc1cc(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)c(C)s1 21871444 NJTSXAMIFLACKT-UHFFFAOYSA-N 393.452 3.922 0 40 GHAB O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(c2ccc(O)cc2)CC1 22010219 DIYYCMXMRZACON-HSZRJFAPSA-N 387.483 3.894 0 40 GHAB COC(=O)c1ccc(NC(=O)c2ccccc2SCc2nc(C)no2)s1 22884909 XFJGCLAOVGELRB-UHFFFAOYSA-N 389.458 3.771 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)c1cc2c(nc3sccn32)s1 24625913 QHDYKDZVPIJOCW-UHFFFAOYSA-N 393.497 3.785 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cc3c(cc2Br)OCCO3)c1C 24945572 HEVDVJZOXXGDCN-UHFFFAOYSA-N 393.237 3.620 0 40 GHAB C[C@H](NC(=O)NCc1cccnc1-n1ccnc1)c1ccc2c(c1)CCCC2 26388687 RBZARPMWMKZJFG-INIZCTEOSA-N 375.476 3.707 0 40 GHAB Cc1c(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)sc2ccccc12 29477065 MVKQLKOLNIXSOW-CYBMUJFWSA-N 388.514 3.690 0 40 GHAB O=C(OCc1cc2ccccc2nc1Cl)[C@@H]1CCCCN1c1ncccn1 31274841 CKFXDCHFNCNXIJ-KRWDZBQOSA-N 382.851 3.781 0 40 GHAB CN(Cc1ccco1)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 31459427 OSBUWAIICWBROF-MRXNPFEDSA-N 381.259 3.850 0 40 GHAB CSc1nnnn1-c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 31464674 JXXPDENRSYFOMR-UHFFFAOYSA-N 397.504 3.834 0 40 GHAB CC(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)(c2ccccc2)CC1 32656914 ZRGLFTLMNAPZOP-QFIPXVFZSA-N 376.500 3.761 0 40 GHAB C#CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OCC 33784036 AJQJYYVKZYTIGI-LJQANCHMSA-N 398.484 3.865 0 40 GHAB CCn1ncc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)c1C 36616335 OTNTVTWBOAOKJY-UHFFFAOYSA-N 380.477 3.782 0 40 GHAB Cc1ccc(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 36633500 JJOGTWVIEAYQSH-INIZCTEOSA-N 392.434 3.620 0 40 GHAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccc2nsnc2c1 38678010 SLVMMDYQNKNXBT-UHFFFAOYSA-N 390.424 3.740 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)Cc1nc(COc2ccc(F)cc2)no1 40067021 ZUMIXHMDQTUPRR-UHFFFAOYSA-N 399.422 3.581 0 40 GHAB Cc1ccc(-c2nnc(SCc3nc4cc(Cl)ccc4n3C)n2N)cc1 40139011 WCNOPLLXXWZPRY-UHFFFAOYSA-N 384.896 3.800 0 40 GHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2)c1 40946065 RRMBXOVADXQUFB-NSHDSACASA-N 397.212 3.706 0 40 GHAB CCCSc1ncc(Cl)c(C(=O)NCCC(=O)Nc2ccc(F)cc2)n1 41155443 SQWZOPJWMXKBCZ-UHFFFAOYSA-N 396.875 3.530 0 40 GHAB COc1cc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)ccc1OC(C)C 43975210 IAAKOKAPQLAJRW-KRWDZBQOSA-N 398.507 3.778 0 40 GHAB Cc1ccccc1-c1noc(CCC(=O)N2CCN(c3ccccc3C)CC2)n1 44842137 OWXXRWLXARQLGN-UHFFFAOYSA-N 390.487 3.635 0 40 GHAB C[C@H](c1cccs1)N(C)C(=O)CN1CCO[C@H](c2ccc(Cl)cc2)C1 53371826 OMOUEGQBCHAENS-PBHICJAKSA-N 378.925 3.994 0 40 GHAB CC(C)Cn1c(SCC(=O)N2CCCC[C@@H]2C)nc2ccsc2c1=O 57426227 NMRSBUHZUOCMMV-ZDUSSCGKSA-N 379.551 3.607 0 40 GHAB Cc1ccccc1CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 57499970 IVWKXSUWCQGUCN-UHFFFAOYSA-N 397.828 3.954 0 40 GHAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)OC(C)(C)C)CC1 57731896 KCWNNKZSPODGOO-UHFFFAOYSA-N 375.856 3.840 0 40 GHAB CC[C@@H](O)CN(CC(=O)Nc1cc(C)c(Cl)cc1OC)c1ccccc1 58210775 GDDZAECNYABAPR-MRXNPFEDSA-N 376.884 3.873 0 40 GHAB CC(C)[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 58441673 BZCZMTNANXMQDD-QFIPXVFZSA-N 383.444 3.633 0 40 GHAB CCOc1c(Cl)cc(C(=O)Nc2sccc2C(=O)NC2CC2)cc1OC 58701703 MDHKJPNSXDBHBP-UHFFFAOYSA-N 394.880 3.953 0 40 GHAB COc1ccc2c(c1)CCN2C(=O)NC1CCN(Cc2ccccc2C)CC1 60545023 OIXZHUWBQRYCIL-UHFFFAOYSA-N 379.504 3.740 0 40 GHAB CCC[C@H](NC(=O)CN1CCC(c2nnc3ccccn23)CC1)c1ccccc1 67443556 DZBHTVLFPKVAAJ-FQEVSTJZSA-N 391.519 3.566 0 40 GHAB C[C@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 68438502 BVLHYWXTAYAPJV-VIFPVBQESA-N 385.317 3.632 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1ccnn1C)N(C(=O)c1ccc(C)s1)CC2 72342716 YKMILDRYSLGCQY-HXUWFJFHSA-N 397.500 3.595 0 40 GHAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(CCCc3ccccc3)C[C@@H]12 72395836 MAJQBWNJKLGUNL-QPPBQGQZSA-N 376.500 3.668 0 40 GHAB O=C(Cn1ccc2ccc(Br)cc21)N1CC[C@@]2(O)CCCC[C@H]2C1 79192161 JHGHITDBWYNVJX-KXBFYZLASA-N 391.309 3.557 0 40 GHAB biogenic Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc2c(c1)NC(=O)CO2 84243878 OMCTZXTVNOLCOJ-UHFFFAOYSA-N 387.439 3.564 0 40 GHAB O=C(CCS(=O)(=O)c1ccc2ccccc2n1)Nc1ccc2c(c1)CCC2 89873155 RTRHYFBWINLCMC-UHFFFAOYSA-N 380.469 3.526 0 40 GHAB CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)/C=C/c2cccc(C)c2)c1 89942308 YIPNTAACSWTNCA-FMQWLBJXSA-N 386.517 3.865 0 40 GHAB CN(C)CC[C@H](NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C 95442932 VTZWVAQROSQJEV-SJORKVTESA-N 383.577 3.506 0 40 GHAB C[C@H](N[C@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1ccccc1OC(F)F 95462686 JOSYNDLKTXYUFD-UIAYHMMPSA-N 396.459 3.703 0 40 GHAB COc1cc(C(=O)Nc2cc(C)nn2-c2ccccc2C)cc2c1OCCO2 95946854 VNKYRKQBEMCKFD-UHFFFAOYSA-N 379.416 3.521 0 40 GHAB CC(C)c1nccn1CCC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 95993286 FBIOUCYKUOJTCX-GOSISDBHSA-N 398.555 3.969 0 40 GHAB Cc1ccccc1-c1nc(C)c(CNC(=O)COc2ccc3c(c2)OCO3)s1 96342813 MFQPLZUSBONTRR-UHFFFAOYSA-N 396.468 3.851 0 40 GHAB CS(=O)(=O)[C@@](Cl)(Br)C(=O)c1ccc(-c2ccccc2)cc1 96518147 SNVBKZJWUKFKPK-OAHLLOKOSA-N 387.682 3.868 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)[C@@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21 100124649 ORISSLNKJICDTB-SVINPSJDSA-N 391.467 3.933 0 40 GHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@@H]1C[C@@H]2[C@H]2ON=C(c3ccccc3Cl)[C@H]12 100204747 SQDUIBLQVHZPAX-BOPRBPPQSA-N 392.842 3.515 0 40 GHAB NC(=O)c1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 100552863 RAILBAXICQKLOZ-NYYJTOMGSA-N 391.309 3.848 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)[nH]1 100647609 XIHZFXUSINJCRW-JTNHKYCSSA-N 392.912 3.531 0 40 GHAB COc1ccccc1-c1nn2c(O)cc([C@@H](C)Cn3nccc3C)nc2c1C 100775743 BNQNDFCBECZBSZ-ZDUSSCGKSA-N 377.448 3.728 0 40 GHAB COc1ccc(OC)c(CN2[C@H]3CC[C@H]2CC(NC(=O)Cc2ccccc2)C3)c1 101256775 DBSOIFSKTOMTGR-SFTDATJTSA-N 394.515 3.558 0 40 GHAB C[C@@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1)c1ccccc1 217444690 HIBMDIIQWBRQLQ-CQSZACIVSA-N 388.489 3.779 0 40 GHAB Cc1ccccc1N(CCCC(=O)Nc1ccccc1Cl)S(C)(=O)=O 222549444 SQSZYTNSZLWJQH-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCOc1ccc(F)cc1 224178836 PNDDZQFNJMESPF-UHFFFAOYSA-N 378.252 3.631 0 40 GHAB CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 224675118 RASZCRXZKDATIQ-UHFFFAOYSA-N 388.272 3.752 0 40 GHAB CCOC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(SC)cc1 224972110 WNZDZBDUGCJKKD-UHFFFAOYSA-N 393.530 3.784 0 40 GHAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccccc3OC)s2)cc1 225013636 UQSIJYSKGKHUCI-GFCCVEGCSA-N 385.445 3.628 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCS/C1=C/c1nc2ccccc2n1C 225236704 UTNOMHKKIPNGLV-CPNJWEJPSA-N 395.484 3.778 0 40 GHAB CCOc1ccc(-c2noc(CNC(=O)c3ccc(Cl)cc3F)n2)cc1 225288074 LONOAVAQCFJNFO-UHFFFAOYSA-N 375.787 3.858 0 40 GHAB Cc1cccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)C)c1 225507945 XXHHALRAILTMKV-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB COc1ccc(C(=O)N2CC[C@@H](Oc3cccc4cccnc34)C2)cc1OC 238842900 HYFUAMYELRKGSL-QGZVFWFLSA-N 378.428 3.546 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NC[C@H](c1ccco1)N1CCSCC1 245039178 OJBFMGLXGRRFJV-QGZVFWFLSA-N 376.909 3.853 0 40 GHAB CCN(CC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)Cc1ccc(OC)c(OC)c1 245237688 QWTSPDUROWFVSL-HCLVMJGWSA-N 388.552 3.857 0 40 GHAB CSc1ccccc1NC(=O)C1CN(c2cc(-c3ccccc3)ncn2)C1 253472254 KXKTZKIQTRNITI-UHFFFAOYSA-N 376.485 3.940 0 40 GHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCCCCC1)[C@]1(C2)NC(=O)c2ccccc2O1 253595716 HTMJBABCXCNWJE-XXXPQLKYSA-N 382.504 3.734 0 40 GHAB Cc1ccc(CN2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1C 257235759 GZHHFDPZOAMIDN-OAQYLSRUSA-N 394.563 3.767 0 40 GHAB Cc1cc(N2C(=O)OC[C@@H]2C(C)C)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1 257257594 KQHSVQYHABFCHY-MRXNPFEDSA-N 388.512 3.518 0 40 GHAB Cc1ccc(-n2nccc2-c2nc(C(=O)NC3CCCC3)c3cnccn23)cc1 306144089 YVUAWYWASRJBSR-UHFFFAOYSA-N 386.459 3.563 0 40 GHAB COc1ccc(NC(=O)c2cc(Br)c(OC)c(OC)c2)c(OC)c1 408558806 VWZZDSIJFZQQSS-UHFFFAOYSA-N 396.237 3.736 0 40 GHAB Cc1csc(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)n1 408980687 SHLDYHKBKAYURN-HNNXBMFYSA-N 391.493 3.500 0 40 GHAB O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1(F)F 521396614 VLSBUDCUZNUOQJ-SFHVURJKSA-N 387.382 3.977 0 40 GHAB COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1cn(C)c3ccccc13)CC2 524730612 PBNAITVQSMYFQF-IBGZPJMESA-N 378.472 3.932 0 40 GHAB biogenic O=C(CCS(=O)(=O)c1ccccc1)NCc1nc(C2CCCCC2)cs1 575413974 RKKKAKDMQLFTQU-UHFFFAOYSA-N 392.546 3.671 0 40 GHAB CCn1c(CN2CC[C@@H](c3ccc(OC)cc3)C2)nc2cc(C(=O)O)ccc21 582612230 RHENPXFOGZATHY-QGZVFWFLSA-N 379.460 3.753 0 40 GHAB COc1ccc(C(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)cc1Cl 585085792 HIDXQZUCTFBXSA-MRXNPFEDSA-N 384.863 3.914 0 40 GHAB Cc1cc(N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)n2nc(C)cc2n1 1775969256 GSVPMBKXAWCGTP-UHFFFAOYSA-N 394.523 3.729 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1cccc2c1OCCO2 1889046696 UPQMASMDTXBLKJ-QGZVFWFLSA-N 381.453 3.650 0 40 GHAB Cc1cc(C)c2nc(N3CC[C@@H](COc4ccc5nccn5n4)C3)sc2c1 2087067294 YUHXRJULXFRGFO-OAHLLOKOSA-N 379.489 3.861 0 40 GHAB COc1ccc(CCn2cnc3c([nH]c4cccc(Cl)c43)c2=O)cc1OC 2202039 PINQJIADOWWIPN-UHFFFAOYSA-N 383.835 3.791 0 40 GHAB Cc1cccc(-n2c(=O)c3c4c(sc3n3c(S)nnc23)COC(C)(C)C4)c1 2327974 BRJBTBXYJHRJOI-UHFFFAOYSA-N 398.513 3.543 0 40 GHAB CC[C@@H](CO)Nc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3 2359650 XAROBMPHWQTQAE-ZDUSSCGKSA-N 387.505 3.551 0 40 GHAB CCOc1ccc(C(C)=O)cc1COC(=O)/C=C/c1cnc2ccccc2n1 2657185 DSQRARLKRITGPH-PKNBQFBNSA-N 376.412 3.988 0 40 GHAB O=C(O)CC[C@]1(C(=O)O)NC[C@@H](c2ccccc2Cl)c2c1[nH]c1ccccc21 2661563 FWJAXMZGUCUFFB-QKKBWIMNSA-N 398.846 3.701 0 40 GHAB O[C@]1(c2ccc(F)cc2)CN(c2ccc(Br)cc2)C2=[N+]1CCCC2 2966168 PLKRHGIHJSYZAM-IBGZPJMESA-N 390.276 3.848 0 40 GHAB COc1ccc(C(=O)OCCOc2ccc(Br)cc2)c(OC)c1 3297861 DWTRYMWEKNDHPM-UHFFFAOYSA-N 381.222 3.702 0 40 GHAB COc1ccc2[nH]c(SCC(=O)NCC34CC5CC(CC(C5)C3)C4)nc2c1 4576401 SNUISQARUKTLGV-UHFFFAOYSA-N 385.533 3.996 0 40 GHAB C[C@@H]1CCc2ccccc2N1C(=O)CCCC(=O)NCc1ccc2c(c1)OCO2 4782724 GAXUZUJGHKNWCC-MRXNPFEDSA-N 394.471 3.570 0 40 GHAB CCN(CC)C[C@H](OC)[C@@H](COC)OC(=O)C(c1ccccc1)c1ccccc1 4792375 LZLUKZHCUAXOJV-FCHUYYIVSA-N 399.531 3.734 0 40 GHAB Cc1cccc(NC(=O)CSc2nccn(-c3ccc(F)c(F)c3)c2=O)c1 4853345 VHWHWQFYCKPNFO-UHFFFAOYSA-N 387.411 3.550 0 40 GHAB CCOc1ccc(-c2nnc(N(CCOC)C(=O)Cc3ccccc3)s2)cc1 4982639 RTCIDDVQEKHMLW-UHFFFAOYSA-N 397.500 3.826 0 40 GHAB O=C(Nc1ccccc1)c1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1 5291753 AVMXJIOMZUHEPY-UHFFFAOYSA-N 377.444 3.694 0 40 GHAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1Cl 5560338 YBEXHZWPOPJVOT-UHFFFAOYSA-N 398.937 3.749 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccccc2)cc1 5748297 VFADQAXWCHIVBL-KQRQPNSISA-N 390.439 3.937 0 40 GHAB CCCCC(=O)NC(=S)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 5859580 AWMTVRBEXMVMEH-UHFFFAOYSA-N 379.507 3.831 0 40 GHAB Cc1ccccc1OCCOC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 5970497 DEECHVBVJICSKS-UHFFFAOYSA-N 382.460 3.861 0 40 GHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cn(C)c4ccccc34)C2=O)o1 6079731 BFFLQBPYYSQFMM-RQZCQDPDSA-N 396.424 3.794 0 40 GHAB C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)NC1CCCC1 6080686 JIBHQZOTUZXQPN-MRVPVSSYSA-N 392.834 3.941 0 40 GHAB CC(C)(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N 6387154 MPKMOTXCCLNQNO-UHFFFAOYSA-N 399.495 3.826 0 40 GHAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(C)(C)C)cc3)C2=O)cc1 6510716 BPKKUDVDGDKLBV-HSZRJFAPSA-N 393.487 3.698 0 40 GHAB CCCNC(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 6548168 PCQDXBAKJFOLFZ-UHFFFAOYSA-N 398.463 3.764 0 40 GHAB CC(=O)NCc1ccc(-c2csc(CC(=O)Nc3ccccc3C)n2)s1 7274083 RHPPTWSRKRGFJB-UHFFFAOYSA-N 385.514 3.997 0 40 GHAB O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cccnc1Cl 7986628 LFCMLENRMUTDIC-UHFFFAOYSA-N 391.656 3.995 0 40 GHAB COc1ccc(NC(=O)COC(=O)CCOc2ccccc2C)cc1Cl 8009060 LRJJLVVJSGUWBM-UHFFFAOYSA-N 377.824 3.608 0 40 GHAB Fc1ccc(-c2nnc(N3CCN(c4ncccn4)CC3)c3ccccc23)cc1 8133340 GOYTUMDAOYAHQP-UHFFFAOYSA-N 386.434 3.553 0 40 GHAB COc1ccc(C[C@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 8164819 FJWTUKHDZGQNKW-QGZVFWFLSA-N 375.421 3.650 0 40 GHAB CCOc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1OCC 8478287 DIXMBPMBFNNUQS-UHFFFAOYSA-N 381.519 3.555 0 40 GHAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc2c(c1)OCCO2 8848743 HXQGUDFNYFZJAP-UHFFFAOYSA-N 381.457 3.920 0 40 GHAB O=C(c1ccccc1)N1CCc2ccc(NS(=O)(=O)c3cccs3)cc2C1 8977448 WKMRUGMGHXUXEO-UHFFFAOYSA-N 398.509 3.747 0 40 GHAB Cc1ccc(O)c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c1 9233917 ALNVLPDTVRWVDT-VCHYOVAHSA-N 396.468 3.992 0 40 GHAB C1=CC[C@H]([C@@H]2N=C3NCN(Cc4ccco4)CN3c3nc4ccccc4n32)CC1 9262487 AVFKSGOCVPGUKG-OXJNMPFZSA-N 388.475 3.681 0 40 GHAB CCN(CC(=O)NCc1cccs1)C(=O)c1cc(Cl)nc2ccccc12 9535980 VKGFFAGZEGRJBW-UHFFFAOYSA-N 387.892 3.728 0 40 GHAB COc1ccc2nc(Nc3nc(C)c(Cc4ccccc4)c(=O)[nH]3)nc(C)c2c1 10325336 LTEAPKOFAISVQE-UHFFFAOYSA-N 387.443 3.673 0 40 GHAB CC(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 10332323 CHXKHWJHAOSQHS-UHFFFAOYSA-N 380.488 3.854 0 40 GHAB CCn1c(=O)n(CCC(=O)NCc2ccc(Cl)cc2Cl)c2ccccc21 10410639 VXHPWRVBOQWTDI-UHFFFAOYSA-N 392.286 3.836 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCc3cccc(C)c32)c1 10971267 NLLODGYRQHNUNP-UHFFFAOYSA-N 386.517 3.619 0 40 GHAB CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)c1cccs1)c1ccccc1O2 12275009 ZNGSHDWCLSYVPO-HRAATJIYSA-N 384.501 3.773 0 40 GHAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 12521157 GQYIWCFLWVLEOM-UHFFFAOYSA-N 389.429 3.617 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12739036 YAPXIJLJGJLXFI-GOSISDBHSA-N 393.462 3.518 0 40 GHAB Cc1ccc([C@H](NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 12810131 OWAWBUYPOYIYBY-FQEVSTJZSA-N 392.484 3.544 0 40 GHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)C12CC3CC(CC(C3)C1)C2 12900079 GJNIAFHTZGQXLZ-MRXVHASRSA-N 384.520 3.853 0 40 GHAB C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)sc2C1 12914802 DZPMGWHLQMBUBD-OLZOCXBDSA-N 389.546 3.820 0 40 GHAB Cc1ccc(CNC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12975089 ZWWMTFXOXZXWMN-HXUWFJFHSA-N 380.488 3.610 0 40 GHAB COc1ccccc1CN(Cc1cccs1)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 14198143 OCXHHOVIMYKWIR-KDURUIRLSA-N 396.512 3.668 0 40 GHAB COc1ccc([C@@H](CNC(=O)CNC(C)(C)C)c2c[nH]c3ccccc23)cc1 14235904 GUIBFEAJQNYXSV-LJQANCHMSA-N 379.504 3.813 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 16019776 SDAJJMZWSNONTK-UHFFFAOYSA-N 393.487 3.934 0 40 GHAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NCCC2=CCCCC2)cc1 16066743 IGWUMKTWAQGXGQ-UHFFFAOYSA-N 398.532 3.771 0 40 GHAB COc1ccc([C@H]2CN(C(=O)CC3CCCC3)[C@@H]3CCCN(C(C)=O)[C@H]23)cc1 19017692 BNSVSJGKFLYVNF-MQSCRBSSSA-N 384.520 3.581 0 40 GHAB Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1cccc2nsnc12 19106519 YBOJDKNSGPWOTK-UHFFFAOYSA-N 392.440 3.652 0 40 GHAB Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cc2cccc(F)c2)on1 19121311 HFTDHSNPQIUBFA-GOSISDBHSA-N 382.439 3.819 0 40 GHAB COc1cccc(CN[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c1 19285347 NNXPPIQWAISCQR-FQEVSTJZSA-N 383.879 3.814 0 40 GHAB CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1cc(C2CC2)nn1C 19288830 NRTQKEQXUKIMLB-KJXAQDMKSA-N 392.547 3.780 0 40 GHAB COc1cccc(CN2CCC[C@@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)c1 19496752 DGGGXPGCZCYIGU-LJQANCHMSA-N 397.519 3.935 0 40 GHAB Cc1cc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(C3CC3)n2)c2ccccc2)cs1 19571970 KWSWEEABFKLXRW-SFHVURJKSA-N 379.485 3.731 0 40 GHAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2ccc(F)cc2)o1 19790434 ICEIRSPCFPKXMD-UHFFFAOYSA-N 385.391 3.667 0 40 GHAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(c4cccc(Cl)c4)CC3)c2c1 20731921 XQQWYWYFSJVSCM-HXUWFJFHSA-N 399.878 3.778 0 40 GHAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)Cc1cnn(C)c1 24476296 QOVVTWPJMRNCTE-UHFFFAOYSA-N 385.471 3.853 0 40 GHAB O=C(C[C@H]1C=CCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 25043397 OENMKMUMRPWFLP-AWEZNQCLSA-N 382.913 3.809 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccc3c(c2)CCC(=O)N3)cc1 25457486 KWOMKGHOXJDWTF-NRFANRHFSA-N 394.471 3.713 0 40 GHAB CC[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccc(OC)cc1 25513223 AUBHWJDVEHJOPX-GOSISDBHSA-N 383.444 3.697 0 40 GHAB Cc1ccn(-c2ccc(NC(=O)[C@@H](C)n3nc(C(F)(F)F)cc3C)cc2)n1 28241241 PTSXYOKTWIOIGR-CYBMUJFWSA-N 377.370 3.904 0 40 GHAB COc1cc(Br)cc2cc(C(=O)N[C@H]3CCCC[C@@H]3C)c(=O)oc12 30769020 GWKULBFMVWFBPE-HZMBPMFUSA-N 394.265 3.873 0 40 GHAB Cc1ccc(CCC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 32376125 QEXASUNZJHJWBH-NRFANRHFSA-N 386.923 3.771 0 40 GHAB COc1cccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccc(F)cc3)n[nH]2)c1 32610687 DJPNJBKFSMXNLV-UHFFFAOYSA-N 391.406 3.971 0 40 GHAB CCc1ccc([C@@H](CNC(=O)/C=C/c2ccc(NC(C)=O)cc2)N(C)C)cc1 32734283 DIRHIQJTENQAKX-RCJYHZQCSA-N 379.504 3.640 0 40 GHAB COC(=O)c1ccc(C)c(S(=O)(=O)Oc2ccc(Oc3ccccn3)cc2)c1 32770760 RZTWTCZSBRKCRB-UHFFFAOYSA-N 399.424 3.737 0 40 GHAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(-c2ccco2)on1 32879207 IDRQRECCMQIBQN-UHFFFAOYSA-N 393.321 3.664 0 40 GHAB CC(C)n1c(CN2CCOCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 35476075 WQKGPRLIIHKHHB-UHFFFAOYSA-N 384.524 3.968 0 40 GHAB COc1ccc(-n2nc(-c3nc(-c4ccncc4)no3)c3ccccc3c2=O)cc1 38487263 CUJAWDJYFQGGOV-UHFFFAOYSA-N 397.394 3.506 0 40 GHAB Cc1nc(-c2nnn(-c3ccc(F)cc3)c2C)sc1C(=O)NC1CCCC1 38487598 XGSNYJCLELAUJL-UHFFFAOYSA-N 385.468 3.819 0 40 GHAB COC(=O)c1ccc(-c2csc(NC(=O)c3ccc4nsnc4c3)n2)cc1 38551416 KBYVUHALQLYQEE-UHFFFAOYSA-N 396.453 3.854 0 40 GHAB COc1ccc(NC(=O)NCC2CCN(Cc3cccs3)CC2)c(OC)c1 38584996 AQBFFXCLRZOANY-UHFFFAOYSA-N 389.521 3.799 0 40 GHAB COc1ccc(OC)c2c1CN(Cc1nc(-c3cccs3)oc1C)C[C@@H]2O 40072411 RIEJPQVQVAUGRL-HNNXBMFYSA-N 386.473 3.778 0 40 GHAB CCc1nn2c(ncc3c(=O)n([C@@H](C)C(=O)O)ccc32)c1-c1ccc(Cl)cc1 40397479 NBQNCTCWINVWKI-NSHDSACASA-N 396.834 3.573 0 40 GHAB C[C@H](NC(=O)c1csc(-c2cnn(C)c2)n1)c1ccccc1Br 44848232 TTXDKBJTNVBPIT-JTQLQIEISA-N 391.294 3.797 0 40 GHAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)/C=C/c1cnn(C)c1 48435206 HBVLQMNHGNABIQ-CMDGGOBGSA-N 385.855 3.574 0 40 GHAB COc1ccc(CN(Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)cc1OC 53536285 NXNRBPIRGLXTCF-QGZVFWFLSA-N 381.476 3.761 0 40 GHAB COc1ccccc1-c1ccccc1C(=O)NCc1ccc(NC(N)=O)cc1 56325691 QTASSHZCJPPBBK-UHFFFAOYSA-N 375.428 3.783 0 40 GHAB COc1ccc(CCNC(=O)c2cccc(Oc3ccc(C)nn3)c2)cc1OC 56906642 RHCBSCAHSIVXSR-UHFFFAOYSA-N 393.443 3.567 0 40 GHAB Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3C3CCCC3)C(C)C)CC2)c1 57669589 PZIBEPXOXXNQOA-OAQYLSRUSA-N 382.556 3.924 0 40 GHAB COc1ccccc1-c1csc(NC(=O)C[C@H]2C(=O)Nc3ccccc32)n1 58015684 RBJXAQJTXZEQNG-CQSZACIVSA-N 379.441 3.883 0 40 GHAB O=C(/C=C/c1c(Cl)cccc1Cl)N[C@H]1CCN(Cc2ccccc2)C1=O 65475535 OCICPQMTAAAFQJ-BBVFFXRHSA-N 389.282 3.924 0 40 GHAB CCCCNC(=O)CSc1nccn2nc(-c3ccc(OCC)cc3)cc12 67290250 OITGDLAWZDKVEZ-UHFFFAOYSA-N 384.505 3.803 0 40 GHAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(N)=O)cc2)n1 67296732 WMHDNNJHAXVJIL-RWEWTDSWSA-N 398.422 3.720 0 40 GHAB O=C(OC1CCCCCC1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 67799948 BTZHVPKRSYINKM-OALUTQOASA-N 382.460 3.526 0 40 GHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)NCCO[C@H]3CCCC[C@H]3C)c2)n1 69518408 VDVVMBUDYURKQW-BEFAXECRSA-N 398.507 3.716 0 40 GHAB CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 71280890 IXYSNJPFISXRPY-FUHIMQAGSA-N 384.520 3.633 0 40 GHAB CC(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 71281025 WDQPKXWSADLADE-GHTZIAJQSA-N 398.547 3.880 0 40 GHAB Cc1cc(Br)ncc1NC(=O)Cc1csc(-c2ccccn2)n1 72306574 TYXRDWBUSOBUOH-UHFFFAOYSA-N 389.278 3.852 0 40 GHAB Cc1nc2cc(C3CCOCC3)nn2c(NC[C@@H]2CCCN(C(C)C)C2)c1C 72337432 YIAJSPUVKYEVDQ-SFHVURJKSA-N 385.556 3.772 0 40 GHAB O=C(c1cccnc1)N1CCC(c2cncc(Oc3cccc(F)c3)n2)CC1 72362099 WOYJKFUPPJKZQE-UHFFFAOYSA-N 378.407 3.823 0 40 GHAB Cc1cccnc1[C@]1(O)CC[C@@H]2CN(Cc3cc(Cl)c4c(c3)OCO4)C[C@@H]21 72389831 RWQSLEIHKWWOHZ-XFQAVAEZSA-N 386.879 3.502 0 40 GHAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(CC[C@H](C)c2ccccc2)C3)C1 72390914 VMDYUJXHFVICHB-GHTZIAJQSA-N 392.547 3.754 0 40 GHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(O)c(C(F)(F)F)c2)c1C 79075835 GTDDLSNIHPUVDH-UHFFFAOYSA-N 389.351 3.527 0 40 GHAB Cc1cn2c(CCC(=O)Nc3n[nH]c(-c4ccccc4Cl)n3)csc2n1 89702094 ZUQLIPILYMBAER-UHFFFAOYSA-N 386.868 3.714 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)o1 95961552 LKMQGHFCMLKZLB-AWEZNQCLSA-N 396.896 3.597 0 40 GHAB O=C(Cn1cnc2ccccc21)Nc1ccccc1Cc1nc(-c2ccco2)no1 96357653 MHWLRWZKCOZRFL-UHFFFAOYSA-N 399.410 3.909 0 40 GHAB CCc1cccc(CC)c1NC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100628974 VUQZOWHNVAUKOW-CRAIPNDOSA-N 381.545 3.789 0 40 GHAB COc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 101276120 ZOTIRJSWDFJCND-AWEZNQCLSA-N 395.242 3.755 0 40 GHAB Cc1cc2oc(=O)cc(COC(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)c2cc1C 102257228 GSQOAMLKRGMLHH-SNTCSEMISA-N 382.456 3.784 0 40 GHAB COc1ccc(/C=C2/N=C(SCCCO)N(c3cccc(OC)c3)C2=O)cc1 104391865 GQDXEODJNFNMKN-CPNJWEJPSA-N 398.484 3.563 0 40 GHAB O=C(Nc1cccc2c1OCCO2)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 108506887 NOLHBCADULOYRX-IBGZPJMESA-N 386.423 3.574 0 40 GHAB Cc1c(NC(=O)c2ncc(-c3ccc(F)cc3)o2)c(=O)n(-c2ccccc2)n1C 206587103 JORZENDLERLNLF-UHFFFAOYSA-N 392.390 3.531 0 40 GHAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 222917127 XFXFNSSUAJHIDW-GOSISDBHSA-N 396.531 3.569 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1C1CCCC1 223613462 FRFNHQFZNSOYPO-NHCUHLMSSA-N 398.576 3.970 0 40 GHAB COc1cccc(OCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 224138765 IBIRNNYQEBJUJZ-OAHLLOKOSA-N 377.868 3.928 0 40 GHAB CCc1ccc(OCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 224529380 TXAMNDDHTGKODK-UHFFFAOYSA-N 380.532 3.965 0 40 GHAB COc1ccc(C(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1F 225397657 LFEBQWDKUGZADF-UHFFFAOYSA-N 375.787 3.810 0 40 GHAB O=C(NCc1cccnc1-c1ccco1)[C@@H]1CCCN1c1nc2ccccc2o1 225662059 LNLVLFKGFQDIBN-KRWDZBQOSA-N 388.427 3.768 0 40 GHAB Cc1ccc(C)c(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225694647 LAWITEWKUCWOAM-HXUWFJFHSA-N 396.531 3.667 0 40 GHAB COC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccccc2OC)c1C 225786757 FFWWZNHAODXJLG-CYBMUJFWSA-N 388.489 3.544 0 40 GHAB CC(C)N1CCC(c2cnc(N3C(=O)OC[C@H]3Cc3ccccc3)cn2)CC1 257254035 KBHFMSHRJHUWJW-LJQANCHMSA-N 380.492 3.632 0 40 GHAB O=C1CCCC[C@]2(CN(Cc3ccc(C(=O)O)cc3)C[C@H]2c2ccc(F)cc2)N1 257286664 PMLRPJNAJCUIGO-NZQKXSOJSA-N 396.462 3.552 0 40 GHAB CC[C@@H](CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1)OC 257306173 STESXTOSKXOYDU-NRFANRHFSA-N 382.504 3.629 0 40 GHAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cccnc1)[C@@H]2Cc1ccccc1 257309924 UCXUETBDULQHED-WGNYYXNJSA-N 375.516 3.780 0 40 GHAB COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)c2ccccc2)c1 409367752 FEIUPXHACAFTJR-LGGPRVQUSA-N 399.446 3.868 0 40 GHAB O=C(c1ccccc1F)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 585147547 OJDAOIXKSJDGQA-UHFFFAOYSA-N 391.446 3.602 0 40 GHAB CCOCCOc1ccc(CN(C)C[C@H](O)COc2ccc(C)cc2C)cc1 585269795 JXWNYXGEKSSCKM-NRFANRHFSA-N 387.520 3.590 0 40 GHAB COc1cccc(CCN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)c1 585289325 HZENRQCCBFEIGY-PWRODBHTSA-N 375.896 3.842 0 40 GHAB Cc1cc(=Nc2cccc(C3CCN(C(=O)c4cccc(F)c4F)CC3)n2)[nH][nH]1 643550843 PEFMVXBVPUHUAU-UHFFFAOYSA-N 397.429 3.577 0 40 GHAB CC(C)C[C@@H](NC[C@@]1(OCCO)CCOC1)c1cccc(C(F)(F)F)c1 658147683 FHBBCKKRRWNOQW-MSOLQXFVSA-N 375.431 3.550 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1888866830 CAIVQEGNOUWQKX-KBPBESRZSA-N 380.275 3.963 0 40 GHAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(I)cc1 22389082 FWNSYWYTDMKCSU-UHFFFAOYSA-N 393.228 3.539 0 40 GHAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCCCCC1 2779567 RQWXZOMZKQJTQY-JTQLQIEISA-N 382.224 3.936 0 40 GHAB O=C(Nc1ccc(Br)cc1F)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 665324 CCHWYSNBDQHGPU-JTQLQIEISA-N 395.203 3.719 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 826180 LLOZRPLTQZURQF-UHFFFAOYSA-N 392.436 3.596 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)OC3CCCCC3)o2)cc1OC 882392 OBECNIZPTUYLST-UHFFFAOYSA-N 378.450 3.722 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4[nH]3)c2)cc1 677216 SEQLYKMAZDBBRQ-UHFFFAOYSA-N 387.395 3.974 0 40 GHAB Fc1cccc(-c2nc(-c3ccncc3)ncc2-c2nnnn2-c2ccccc2)c1 711615 WIKOLSSZZKCPJD-UHFFFAOYSA-N 395.401 3.987 0 40 GHAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)Nc2cccc(C(F)(F)F)c2)C1 4135128 JOQPWAFSGVNXBP-QWHCGFSZSA-N 393.434 3.683 0 40 GHAB biogenic O=C(COC(=O)c1ccccc1F)Nc1ccccc1C(=O)c1ccccc1 6058972 QQPRNGFQGWFJHP-UHFFFAOYSA-N 377.371 3.852 0 40 GHAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680735 AZRKQEDPHOOVNL-UHFFFAOYSA-N 378.519 3.874 0 40 GHAB CC[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(OC)cc1 23649705 FURARIIXRXNJAX-SFHVURJKSA-N 379.460 3.522 0 40 GHAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Br)cc2)CC1=O 7882124 LLPPEXVAIWLYJS-UKRRQHHQSA-N 387.277 3.997 0 40 GHAB CN(C(=O)Nc1ccccc1)[C@@H]1c2cc(Br)ccc2OC[C@H]1CO 3133903 XBKIGQDDHWZPJO-PXAZEXFGSA-N 391.265 3.655 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1OC 20456210 AFWAYDLARAHQEL-BBWFWOEESA-N 394.581 3.669 0 40 GHAB C[C@H]1CCCC[C@@H]1N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 57698476 SVSXLBRHFDFOOD-PXNSSMCTSA-N 378.582 3.869 0 40 GHAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2C)c1 8414994 YIICSKDFKXDKFI-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cn2ccccc2n1 12540330 KKIPBLFBDAMFMX-XMMPIXPASA-N 396.450 3.524 0 40 GHAB Cc1cc(C(=O)NCC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c(C)o1 55736848 LZOWZYYDQXBUCH-UHFFFAOYSA-N 388.427 3.604 0 40 GHAB Cn1c(COc2cccc3cccnc23)nnc1SCC(=O)c1ccccc1 1468062 PAIAHKFIVISLAR-UHFFFAOYSA-N 390.468 3.917 0 40 GHAB C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)COc2ccc(Br)cc2)C1 107089438 XBSSSFIVOMMIFY-UXLLHSPISA-N 395.341 3.692 0 40 GHAB Cc1cc(NC(=O)C(=O)NCCCCc2ccccc2)ccc1Br 9235589 CZDYVEZJMDOMJY-UHFFFAOYSA-N 389.293 3.835 0 40 GHAB CCN(CC)C(=O)CN(C)C(=O)c1cn(Cc2ccccc2)c2ccccc12 26215278 IYOVJQASSGUJIA-UHFFFAOYSA-N 377.488 3.630 0 40 GHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 12759361 TVIDULQUTWSMHH-HNNXBMFYSA-N 397.500 3.847 0 40 GHAB CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 12779125 NPIFNXIKVPNFEE-UHFFFAOYSA-N 396.443 3.669 0 40 GHAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cc3ncc(Br)cn3n2)C1 101064195 VHYZLAGZYHZDME-PXAZEXFGSA-N 377.286 3.533 0 40 GHAB COc1ccc(OCCN2CC=C(c3c(OC)cc(OC)cc3OC)CC2)cc1 11060808 NGYRHEDXHMNRTJ-UHFFFAOYSA-N 399.487 3.889 0 40 GHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1Br 22457704 OEMMDYQAZNBDDT-UHFFFAOYSA-N 384.295 3.587 0 40 GHAB CCC(C)(C)NC(=O)COC(=O)Cc1csc(-c2cccc(Cl)c2)n1 11347166 JGZIGADEHRDEPI-UHFFFAOYSA-N 380.897 3.854 0 40 GHAB CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 26562774 PAFJPJCUTWRVJW-GOSISDBHSA-N 378.831 3.637 0 40 GHAB O=C(NCCc1cc(F)cc2c1OCOC2)N1CCc2ccc(Cl)cc21 60547353 GEDXXSXKSMRRIB-UHFFFAOYSA-N 376.815 3.660 0 40 GHAB CSc1nc(C)c(CCC(=O)NCc2ccccc2OC(F)(F)F)c(C)n1 12870593 CSEJMLAFKJNWSM-UHFFFAOYSA-N 399.438 3.963 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)c2cc(Cl)nc3ccccc23)c1 12856057 VFGHPLVHBNVPIM-UHFFFAOYSA-N 383.835 3.608 0 40 GHAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1F 3429160 FIMPOSAGSQFYHT-UHFFFAOYSA-N 395.887 3.710 0 40 GHAB CCCn1c(C)cc(C(=O)CSc2nnnn2-c2cc(C)ccc2OC)c1C 3534225 YBDUKGKPQXVAFO-UHFFFAOYSA-N 399.520 3.783 0 40 GHAB O=C(Nc1ccccc1)C1CCN(C(=O)CCCOc2ccc(F)cc2)CC1 12998481 QSIMQDVJRZFVHX-UHFFFAOYSA-N 384.451 3.862 0 40 GHAB CC[C@@H](C)[C@H](C(=O)Nc1nc2ccccc2s1)N1C(=O)c2ccccc2C1=O 9009527 KXJFMNCKOOEVRA-SJKOYZFVSA-N 393.468 3.946 0 40 GHAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(Br)cc1 48957022 AKYLLSCYTLQMKD-KRWDZBQOSA-N 387.277 3.543 0 40 GHAB O=C(/C=C/c1cccc(Br)c1)N1CCN(Cc2ccccc2)CC1 27049608 QKOZHYPYWRXREA-MDZDMXLPSA-N 385.305 3.807 0 40 GHAB Cc1ccnc(NC(=O)c2cc(=O)c(OCc3cccc(Cl)c3)cn2C)c1 49551062 OOKAJDBQLFBAAJ-UHFFFAOYSA-N 383.835 3.573 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)NCC3CCC(C(=O)O)CC3)s2)cc1 49548796 KOFFTDZVUDRBPT-UHFFFAOYSA-N 388.489 3.748 0 40 GHAB O=C(COc1ncnc2sc3c(c12)CCCC3)c1ccc2c(c1)OCCO2 6083766 AATVVEGAXRFKQI-UHFFFAOYSA-N 382.441 3.603 0 40 GHAB CC(C)c1ccc(CN(C(=O)/C=C/c2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 5047092 KEQZVWGAJISMRL-YXBWYFRISA-N 387.501 3.632 0 40 GHAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 6144202 PLTKCDFJDBQSBQ-BJMVGYQFSA-N 394.452 3.571 0 40 GHAB COc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4ccc(C)cc4)CC3=O)c2c1 13944681 RNFIQNVBPUBWTI-QGZVFWFLSA-N 391.471 3.515 0 40 GHAB CC[C@H](C)NC(=O)COC(=O)c1cc2c(C)nn(Cc3ccc(C)cc3)c2s1 6397191 QLHICEKAYJUHOQ-AWEZNQCLSA-N 399.516 3.834 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)Nc3nnc(Cc4ccccc4)s3)c2O1 6334497 HQBHPQHPRBFNPL-UHFFFAOYSA-N 395.484 3.860 0 40 GHAB Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2c1C(=O)CC(C)(C)C2 5322203 WOVUEWOGOACPBX-UHFFFAOYSA-N 384.451 3.845 0 40 GHAB C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1nc(-c2ccccc2)cs1 5474674 RXJIUAKVAPQGEO-LBPRGKRZSA-N 396.424 3.723 0 40 GHAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1ccccc1F)CCS3 5451679 RRQHAMWHOXYFPV-UHFFFAOYSA-N 381.432 3.653 0 40 GHAB CCOC(=O)c1c(NC(=O)CN2CCC[C@H]2c2cccn2C)sc(C)c1C 6561657 CRUUJIPDLIMTRC-INIZCTEOSA-N 389.521 3.656 0 40 GHAB O=C(C[C@H]1Sc2ccccc2NC1=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 4601820 INEWBVUNLSLRNH-IYZRDUGGSA-N 399.512 3.818 0 40 GHAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1Cc1ccc(Br)cc1F 6646679 GLIDVPBDBGYXTA-INIZCTEOSA-N 391.240 3.641 0 40 GHAB Cc1ccc(NC2=N[C@@H](c3ccc(Cl)cc3)n3c(nc(C)cc3=O)N2)cc1 4747280 IVBYCAYMMXMNMY-GOSISDBHSA-N 379.851 3.954 0 40 GHAB COCc1cccc(CNC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)c1 67062695 LVQGGXINVHWAFG-IBGZPJMESA-N 382.460 3.651 0 40 GHAB Cc1cc(F)ccc1/N=c1\oc2cc(O)ccc2cc1C(=O)NC[C@@H]1CCCO1 67298753 VQJAOKLTPQGSTO-QEQSUZCXSA-N 396.418 3.727 0 40 GHAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N=c3[nH]c4ccccc4[nH]3)c2C)cc1 5901660 CCTSHWFEQUXHEV-OUKQBFOZSA-N 385.471 3.807 0 40 GHAB CCOc1ccccc1-c1nc(C(=O)NCCO)cc2c1[nH]c1ccccc12 5907520 UBXQSHYEXROOFQ-UHFFFAOYSA-N 375.428 3.504 0 40 GHAB biogenic Cc1cccc(-n2c(C)nnc2SC[C@H](O)COCc2ccccc2F)c1 7112188 SZGFDQSWHJBGRT-GOSISDBHSA-N 387.480 3.693 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1cc(-c2ccco2)on1 7316024 BREZTJYBUQWAHF-SFHVURJKSA-N 378.384 3.942 0 40 GHAB CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2cccc(Br)c2)CC1 67800579 XIFSRNGPIOLBNU-UHFFFAOYSA-N 398.301 3.970 0 40 GHAB CN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 69347854 QGIXJPRVMCTYMX-AWEZNQCLSA-N 394.368 3.856 0 40 GHAB CC(C)(C)c1cc(NC(=O)COC(=O)Cc2cccs2)n(-c2ccccc2)n1 7778706 GXHCTADJYDTYAP-UHFFFAOYSA-N 397.500 3.956 0 40 GHAB CCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 7723857 XVMRQFHHSIXZES-OAHLLOKOSA-N 382.526 3.635 0 40 GHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ncc(Cl)cc1Cl 7786772 WEACOMVOXQZJIG-UHFFFAOYSA-N 392.242 3.984 0 40 GHAB O=C(CSc1nnc(NCc2ccc(F)cc2)s1)c1ccc(O)cc1O 16335183 WWLFLOCYKGGGPU-UHFFFAOYSA-N 391.449 3.676 0 40 GHAB C[C@@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)N1CCCCCC1 9585081 MJOJTHKAVCMTEU-GOSISDBHSA-N 380.488 3.787 0 40 GHAB CC(C)c1ccc(CN(C)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 7905924 ZJRRWXGLDATHKX-UHFFFAOYSA-N 399.560 3.920 0 40 GHAB Cc1cccc(N2N=C(C(=O)Nc3cccnc3N3CCCCC3)CCC2=O)c1 71821407 BVOJBEMEUONZBF-UHFFFAOYSA-N 391.475 3.502 0 40 GHAB O=c1[nH]nc(SCc2cccc(Br)c2)n1Cc1ccccc1 16803374 AESQSBNBRRLEFW-UHFFFAOYSA-N 376.279 3.675 0 40 GHAB C[C@H](C(=O)Nc1ccccc1N1CCCC1=O)N1CC[C@H](c2ccccc2)C1 69878265 RQCCLMWBRSGSHR-MJGOQNOKSA-N 377.488 3.630 0 40 GHAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)Nc1cc(Cl)cc(Cl)c1O 95983105 CIJZOBAUXLPQKQ-HNNXBMFYSA-N 395.286 3.929 0 40 GHAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccccc2)n1C 409347530 MMPQIRMEQPLIIP-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)sc2Cl)c1 8776917 GSBFCXICVLUZLA-UHFFFAOYSA-N 379.290 3.558 0 40 GHAB CC(C)(C)c1n[nH]c(-c2nn3c(C4CCC4)nnc3s2)c1Br 72403420 GKYZKQOSNISHTD-UHFFFAOYSA-N 381.303 3.903 0 40 GHAB COc1c(Br)ccc2c1sc1ncnc(N[C@@H](C)C(=O)O)c12 9942946 IRIWWGWOJCHKHW-LURJTMIESA-N 382.239 3.501 0 40 GHAB Cc1ccccc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(C)(=O)=O 20038620 AOFAMCSMWMVUAD-IBGZPJMESA-N 388.533 3.665 0 40 GHAB COc1cc(Cl)c(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 409233903 ILDKJYMLVULZQP-LZYBPNLTSA-N 386.835 3.759 0 40 GHAB CCCCCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 28207095 KYHFDSPSCGLFHS-MRXNPFEDSA-N 386.517 3.747 0 40 GHAB O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 408623718 RQMXSBHCXCURRX-UHFFFAOYSA-N 383.256 3.891 0 40 GHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 25712377 BCJWTAYMMCAQER-KRWDZBQOSA-N 396.459 3.779 0 40 GHAB O=C(c1ccoc1)N1CCN(c2cnn3ccc(-c4ccc(F)cc4)cc23)CC1 306135777 PAIWWIPUTBQXSU-UHFFFAOYSA-N 390.418 3.696 0 40 GHAB Cc1oc(C(C)C)cc1C(=O)NCc1ccc(C(=O)N=c2cc[nH]cc2)cc1 508540858 HEHBHABCHGOERP-UHFFFAOYSA-N 377.444 3.711 0 40 GHAB CCn1ccnc1[C@H]1CCCCN1C(=O)NCC1(c2cccc(OC)c2)CC1 515447344 GRMNIMHGCZBUJW-LJQANCHMSA-N 382.508 3.880 0 40 GHAB Cc1cc(C(F)(F)C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)cnc1Cl 1526534221 AVDVKVMUFHZEKN-UHFFFAOYSA-N 391.809 3.878 0 40 GHAB COc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OCc1c(C)cc(C)cc1C 408987288 VYZAGEXWAULQMD-PXNSSMCTSA-N 387.501 3.988 0 40 GHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 32747157 NPNDODJZEXBFJF-GOSISDBHSA-N 393.830 3.997 0 40 GHAB CCn1cc(C(=O)Nc2cc(OC)ccc2OC)c(=O)c2cc(Cl)ccc21 32607830 WZKYCTGYTJVZLA-UHFFFAOYSA-N 386.835 3.944 0 40 GHAB Cc1cccc2c1NC(=O)[C@]21Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 32666134 AWTDBAILQSSCSY-QHCPKHFHSA-N 399.406 3.601 0 40 GHAB Cc1noc(C)c1CCC(=O)NC[C@H](O)c1ccc(-c2ccsc2)s1 675008192 HQFGFSZXFAKVMN-HNNXBMFYSA-N 376.503 3.864 0 40 GHAB O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3)N(c3ccccc3)[C@H]2C1 32639663 IBZBRRDIXBFMAK-IRXDYDNUSA-N 392.933 3.615 0 40 GHAB Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(c4ncccn4)C3)n2)s1 32795841 UULLXMMMIFFHNR-ZDUSSCGKSA-N 385.518 3.825 0 40 GHAB CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1 44899719 YRZHUABUMCPIHQ-PXNSSMCTSA-N 388.533 3.725 0 40 GHAB CSc1cccc(NC(=O)CN(c2cccc(SC)c2)S(C)(=O)=O)c1 220065177 GUAKFTYFEOZUIT-UHFFFAOYSA-N 396.559 3.535 0 40 GHAB COc1ccccc1CN(C)C(=O)COc1ccc(Br)c(C)c1 44950167 PHCZZJBVMFIMMG-UHFFFAOYSA-N 378.266 3.804 0 40 GHAB C[C@@H](NC(=O)[C@@]1(C)CC1(Br)Br)[C@@H]1C[C@@H]2CC[C@@H]1C2 225634003 NAIUYHATLLRLEU-ZZBQETCWSA-N 379.136 3.823 0 40 GHAB CC(C)Sc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 48244939 JJWYEMJSJBVIPC-UHFFFAOYSA-N 384.545 3.949 0 40 GHAB O=C(Cc1ccccc1F)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225757848 GOMUJBLFTALWLP-UHFFFAOYSA-N 384.480 3.605 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1F 222992684 NOBIQBBEVPAQDD-KRWDZBQOSA-N 386.467 3.538 0 40 GHAB CCOc1ccc(-c2noc(CNC(=O)Cc3ccc(Cl)cc3F)n2)cc1 224601315 DAWKRHAAXRXZKP-UHFFFAOYSA-N 389.814 3.787 0 40 GHAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCCOC(C)C 223843896 CDCGIDRZYBPHBA-RGEXLXHISA-N 386.517 3.759 0 40 GHAB CCOc1ccc(CNC(=O)c2cccc(I)c2)cc1 224965245 MIZMXYAFKQBBFM-UHFFFAOYSA-N 381.213 3.620 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N(Cc2cccc(F)c2)C2CC2)C1 91365370 SDWTXIKFRQZTBG-INIZCTEOSA-N 376.472 3.964 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1 96118574 NFKFCVDTYIMECP-CQSZACIVSA-N 380.423 3.817 0 40 GHAB COc1cc(C=O)ccc1OCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 98069643 HVZIDQNZJVBCAS-UHFFFAOYSA-N 382.441 3.957 0 40 GHAB O=C(CSCc1cscn1)NC[C@H](NCc1ccccc1)c1ccco1 581742988 ZYZRCQBSHJNYFP-KRWDZBQOSA-N 387.530 3.617 0 40 GHAB COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)CCc2ccn(C)n2)CCC3)cc1 585085834 BRRMCONKEFKNLL-KRWDZBQOSA-N 396.516 3.679 0 40 GHAB O=C(c1cc(C2CC2)on1)N1CCO[C@@H](c2ccc(Br)cc2)C1 62513066 QAUVBLPHVHLTMD-MRXNPFEDSA-N 377.238 3.528 0 40 GHAB Cc1ccc(C(=O)NS(=O)(=O)c2cccc(Cl)c2C)cc1-n1cccc1 257279326 OGBSFRULUXUFCZ-UHFFFAOYSA-N 388.876 3.866 0 40 GHAB Cc1nn(C)cc1CN1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 257248626 JEMVUDKXFLGQQJ-QFIPXVFZSA-N 396.922 3.941 0 40 GHAB CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)CCC(=O)O)CO[C@H]1c1cccc(F)c1 257223404 DXEYYFQNMQVDRT-YYWHXJBOSA-N 377.456 3.785 0 40 GHAB COc1ccccc1[C@@H]1CCCCN1C(=O)c1cncc(N2CCCC2=O)c1 625321114 SMNZCMLBRTXVRK-IBGZPJMESA-N 379.460 3.584 0 40 GHAB COc1ccc2[nH]cc(CCNC(=O)c3ccc(NC(=O)C(C)(C)C)nc3)c2c1 648323866 WWQUHDMTNXDAPW-UHFFFAOYSA-N 394.475 3.529 0 40 GHAB C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1 64725612 DKSOWJJHTAIXHP-TWWGPRNNSA-N 386.536 3.722 0 40 GHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 107362196 BGEWZWKEOVCJND-YDOWWZDFSA-N 385.895 3.607 0 40 GHAB Cc1ccc(-c2cc(CC3(C(=O)NCc4cccnc4)CCOCC3)on2)cc1 12132273 GHQNTIOAZMHZIP-UHFFFAOYSA-N 391.471 3.701 0 40 GHAB COc1ccccc1/C=C/CN1CCC(NC(C)=O)(c2ccccc2F)CC1 12293078 XSUDAZZUNFHDOO-VQHVLOKHSA-N 382.479 3.975 0 40 GHAB C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)C(=O)O 13138612 RTKZEKHXMGPVEL-LLVKDONJSA-N 386.498 3.891 0 40 GHAB Cc1cc(C)cc(C(=O)N[C@H](c2ccncc2)[C@H]2N=C(c3ccccc3)OC2=O)c1 13221059 PJBOZNLUGFDVBU-NHCUHLMSSA-N 399.450 3.542 0 40 GHAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)C[C@H]1C=CCC1)Cc1ccccc1O2 19016255 QDHPQVCMEHWLOL-RNQSCQIESA-N 396.531 3.924 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)c(C)c1 19132757 TXEFJFLYKSZROJ-ZDUSSCGKSA-N 382.489 3.665 0 40 GHAB O=C(c1ccccc1)c1noc(-c2ccco2)c1S(=O)(=O)c1ccccc1 19202814 ZUPILWNLQNELCA-UHFFFAOYSA-N 379.393 3.998 0 40 GHAB O=C(NCc1cccc(F)c1)c1cc([C@@H]2CCCN(Cc3ccccn3)C2)no1 19401682 RMRSIAVSGZIJCA-QGZVFWFLSA-N 394.450 3.518 0 40 GHAB Cc1nccn1-c1ccc(CNC(=O)c2cc(F)cc3cccnc23)cc1F 162587575 DDUMUGSQGMYTRI-UHFFFAOYSA-N 378.382 3.937 0 40 GHAB COc1ccc(-c2nc(CSc3ncnc4c3cnn4C)cs2)c(OC)c1 36397052 FKHZQJNYAIXODJ-UHFFFAOYSA-N 399.501 3.796 0 40 GHAB COc1ccc(OC)c(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)c1 2725274 GESUEFWZCPKEMI-UHFFFAOYSA-N 384.310 3.513 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CC1 3173259 PACJGLOSGYYHBA-UHFFFAOYSA-N 384.379 3.855 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cccc(-n3cccc3)c2)c1 5279536 RZTMDAWDXNHDKS-INIZCTEOSA-N 376.412 3.864 0 40 GHAB CCO[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]2(CCCN(Cc3nccs3)C2)C1 2037873592 YVSYHRXRQQZJIO-UGKGYDQZSA-N 399.560 3.563 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2ccccc2C)cc1 824329 IPPVVDVOWSLYPV-UHFFFAOYSA-N 386.517 3.511 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2nccn2-c2ccc(F)cc2)c1 2468242 XFJZURVSJAVAFD-UHFFFAOYSA-N 387.436 3.759 0 40 GHAB Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1cccc(F)c1 4148123 IQMFIDAAQKSOQB-UHFFFAOYSA-N 386.477 3.671 0 40 GHAB Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(C(=O)c2ccccc2)c1 4518019 OOGPJNFWTQANGR-UHFFFAOYSA-N 393.464 3.882 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269387 SDWLZQLAWYAKRS-UHFFFAOYSA-N 382.803 3.531 0 40 GHAB CCc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3OC)[C@@H](C)Nc3ncnn32)cc1 11694844 DYFGUPRXBAQEST-JSNMRZPZSA-N 391.475 3.507 0 40 GHAB O=C(NCCc1ccccc1)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 13562207 QJMWTEJHMXGWSM-OQKWZONESA-N 388.442 3.956 0 40 GHAB CCCC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1cccc(Cl)c1 17269547 GRZZRDCULPMRLJ-UHFFFAOYSA-N 395.854 3.702 0 40 GHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)CCc3ccccc3)cc21 17286446 KISJMXPVFPXCHL-UHFFFAOYSA-N 386.517 3.750 0 40 GHAB O=C(NC1CC1)C1CCN(c2nc3ccc(Br)cc3s2)CC1 2086884406 NGONYHNKQZVTBW-UHFFFAOYSA-N 380.311 3.554 0 40 GHAB Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@H](n2cnc3ccccc32)C1 575615292 CWCCZHMCECAMKA-AWEZNQCLSA-N 377.473 3.586 0 40 GHAB Cc1cccc([C@H](CC(=O)N2CCC(CCc3ccccc3)CC2)NC(N)=O)c1 40069447 RYHLJKVLRYUUPB-QFIPXVFZSA-N 393.531 3.966 0 40 GHAB CCC[C@@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1 40068862 DGYBMUOJTWZMEI-JOCHJYFZSA-N 381.520 3.859 0 40 GHAB C[C@@H](SCC(=O)Nc1ccc(-n2cccn2)nc1)c1nc2ccccc2[nH]1 40062772 HRKINLROJRQENI-CYBMUJFWSA-N 378.461 3.577 0 40 GHAB O=C(Cn1nnc2ccccc21)NC1(c2ccc(Br)cc2)CCCC1 40146244 GKSYVPIITFTFFV-UHFFFAOYSA-N 399.292 3.780 0 40 GHAB O=C(Cc1csc(-c2ccsc2)n1)N1CCC[C@@H]1c1nnc2ccccn12 31505403 XTDAGNXBMYTJAL-OAHLLOKOSA-N 395.513 3.821 0 40 GHAB CC(=O)c1cccc(N/C=C\c2nnnn2-c2ccc(Br)cc2)c1 100959264 IFRXLRIQFPRNKQ-KTKRTIGZSA-N 384.237 3.710 0 40 GHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccn2)C12CCCCC2 20721563 FORKVTCOBSQNFS-FQEVSTJZSA-N 393.487 3.609 0 40 GHAB C[C@@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)NCCC1=CCCCC1 21498934 LANWXTLVTDZCQA-CYBMUJFWSA-N 393.867 3.663 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1c(Cl)cccc1Cl 32929782 AZSYEEKPVHNFST-TXEJJXNPSA-N 378.321 3.698 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1 32907932 XGQAAVCRFIHDJQ-SFHVURJKSA-N 379.504 3.984 0 40 GHAB CCN1C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3Cl)N(c3ccccc3)O[C@H]2C1=O 103024156 KGNXBHGLNZOQOK-GVDBMIGSSA-N 391.254 3.860 0 40 GHAB CCOC(=O)c1c(NC(=O)c2cccc(OC(C)=O)c2)sc2c1CCCC2 708646 NNANMCNBRIHSGG-UHFFFAOYSA-N 387.457 3.981 0 40 GHAB CCOC(=O)c1nnn2c1nc(SCc1ccc(F)cc1)c1ccccc12 1035665 ZRAYLMOPWRINBY-UHFFFAOYSA-N 382.420 3.886 0 40 GHAB CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CNc1nc(C)c(C)s1 1294026 GOROOROHHUALBA-UHFFFAOYSA-N 386.477 3.777 0 40 GHAB COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)cc1 1330055 OMFBRRBEXDSIJC-GOSISDBHSA-N 387.867 3.661 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccco2)n1C 2374737 AMRPTQIPKKFYBI-UHFFFAOYSA-N 392.868 3.776 0 40 GHAB COc1cccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)c1 2425608 FHFKQTOEJFUIPC-OAHLLOKOSA-N 391.402 3.789 0 40 GHAB COc1ccc(CC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 3216314 GAGVDUUFVOMRAI-UHFFFAOYSA-N 398.242 3.735 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(F)cc3)nnc12 3375645 JYZCRTODINVHSS-UHFFFAOYSA-N 396.447 3.568 0 40 GHAB CCCCNC(=S)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3381845 QLQMRWGSQRSQSE-UHFFFAOYSA-N 381.851 3.904 0 40 GHAB C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 3454999 XBUBBUBVIIGGMS-ZDUSSCGKSA-N 394.924 3.908 0 40 GHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCc1ccncc1 4000334 REHLJYQTYXANRD-UHFFFAOYSA-N 386.407 3.550 0 40 GHAB biogenic CCN(CC)C(=O)CN1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1 4092436 DJXFIKHLRZDYSF-UHFFFAOYSA-N 396.457 3.869 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)n1-n1cccc1)Nc1ccccc1 4518629 LWJAGDDVTZFROO-UHFFFAOYSA-N 389.484 3.713 0 40 GHAB C[C@@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)NCc1ccccc1 4767007 HOQYWHAQCXAVDA-SECBINFHSA-N 387.650 3.904 0 40 GHAB O=C(NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)c1cccc(F)c1 4888494 HBIYGJNKSGBGEG-UHFFFAOYSA-N 375.831 3.905 0 40 GHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc(Cl)cc1 4893521 JWFWDJORBGYUQW-CYBMUJFWSA-N 392.238 3.772 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)o2)c1 5294056 YUMJREPAZDYWAF-ZBFHGGJFSA-N 375.494 3.744 0 40 GHAB COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OC(=O)c1ccccc1F 5689692 ZHKZZEDMLIXQIZ-HXUWFJFHSA-N 392.386 3.908 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2C)cc1 6139844 ZRDFZRPGSKXXFH-CYBMUJFWSA-N 395.488 3.560 0 40 GHAB O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCCCCC1 6401205 SBWDBZWENSYSCA-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB Cc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)c1 6614243 BEUIFIYSWLBLRS-UHFFFAOYSA-N 393.262 3.583 0 40 GHAB CCCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 6629013 MUUNNOMGUZFYEE-UHFFFAOYSA-N 380.517 3.867 0 40 GHAB O=c1c2ccccc2n2c(-c3ccc(O)cc3)nnc2n1CCc1ccccc1 6781244 HYXNPIIMSFCRBR-UHFFFAOYSA-N 382.423 3.660 0 40 GHAB CC(C)c1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)NC(N)=O)cc1 6977378 AAHDDSOQARYBOV-UHFFFAOYSA-N 394.500 3.950 0 40 GHAB COC(=O)CCSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1 7112424 BNUBYFFFPPBHKR-UHFFFAOYSA-N 379.385 3.836 0 40 GHAB Cc1cc(C(=O)CCC(=O)NCc2ccc(N3CCCC3=O)cc2)c(C)s1 7491217 UGJKDCWDCLGHTP-UHFFFAOYSA-N 384.501 3.771 0 40 GHAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1ccccc1C(=O)NC1CCCC1 8267121 IOJAONLESJWQFQ-QZTJIDSGSA-N 383.536 3.810 0 40 GHAB O=C(COc1ccc2c(c1)OCO2)N[C@@H](Cc1ccccc1)c1ccccc1 8391898 WJPSTTAFJJFMTQ-FQEVSTJZSA-N 375.424 3.894 0 40 GHAB COc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc(OC)c1OC 8488931 WPXBWSUELBZUTK-NSHDSACASA-N 394.265 3.966 0 40 GHAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC 9063883 ADKMOOGPOLPHDB-UHFFFAOYSA-N 396.896 3.598 0 40 GHAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccncc2)cc1 9462606 ROKFBRBLQXOCDW-UHFFFAOYSA-N 385.423 3.779 0 40 GHAB CC(=O)c1ccc(NC(=O)c2cc3c(cc2Br)OCCO3)cc1 9668234 PAADUIJDCYOXTM-UHFFFAOYSA-N 376.206 3.675 0 40 GHAB O=C(OCc1csc(-c2ccccc2Cl)n1)c1cccc(-n2cnnn2)c1 9745742 SCXMRNDYSXSQTI-UHFFFAOYSA-N 397.847 3.796 0 40 GHAB COc1ccc(SCC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 10219214 FEYCAZNCSGWAOR-UHFFFAOYSA-N 399.541 3.746 0 40 GHAB CCN(CC)CCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 10312938 SYGJHVXIHASELA-UHFFFAOYSA-N 379.460 3.757 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CCCn1cnc2c(C)cccc2c1=O 10405834 CFKBCBUHIJMEIS-UHFFFAOYSA-N 385.851 3.786 0 40 GHAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1nnnn1-c1ccccc1 11621387 FXNKBRBNQOCPGP-INIZCTEOSA-N 393.516 3.582 0 40 GHAB Cc1ccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)cn2C)c(C)c1 12166919 RELPTBJCNJPAPW-UHFFFAOYSA-N 380.419 3.973 0 40 GHAB COc1ccc(-c2cc(C(=O)NCCc3c[nH]c4ccccc34)[nH]n2)c(OC)c1 12323949 MYADBQVAIQAKEP-UHFFFAOYSA-N 390.443 3.548 0 40 GHAB COc1cc(-c2nc(C)c(C(=O)Nc3ccncc3)s2)cc(OC)c1OC 12324369 KWYBVAAURIBYFH-UHFFFAOYSA-N 385.445 3.792 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc4ccccc4n3)CC2)cc1 12475767 MAOSDFWKUINCAT-JLHYYAGUSA-N 385.467 3.799 0 40 GHAB CC1CCN(Cc2ccc(Cn3c(S)nc4ccccc4c3=O)cc2)CC1 12540493 UOKVHDDVTLRXSV-UHFFFAOYSA-N 379.529 3.965 0 40 GHAB Cc1occc1-c1cc2nc3c(c(O)n2n1)CN(Cc1ccc(F)cc1)CC3 12667114 MTNWTELQODBJMI-UHFFFAOYSA-N 378.407 3.701 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1nc(C(C)(C)C)no1 12946758 MXSDRYXVRULYTI-UHFFFAOYSA-N 395.301 3.509 0 40 GHAB C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)C(=O)O 13138613 RTKZEKHXMGPVEL-NSHDSACASA-N 386.498 3.891 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COc1c(F)cc(Br)cc1F 13301128 JMYQPHVQYYQNOG-NQBHXWOUSA-N 378.257 3.730 0 40 GHAB Cc1oc(-c2ccccc2)nc1Cn1c(=O)n(C(C)C)c(=O)c2ccccc21 15829282 XKHOAZOXSRVXCA-UHFFFAOYSA-N 375.428 3.756 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)O 15953543 UKPUTZQLKIBXPJ-MLCYQJTMSA-N 399.443 3.622 0 40 GHAB biogenic CCCCCc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1 16227563 FJECSNFRQKPSRI-UHFFFAOYSA-N 388.533 3.763 0 40 GHAB C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc(Cl)c(Cl)c1 16467904 YDJMYQGVGXVEHF-GFCCVEGCSA-N 390.270 3.971 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)c1 16789164 RBVZACVOICORAI-UHFFFAOYSA-N 388.880 3.875 0 40 GHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCCC1=CCCCC1 17334797 XDQHJZVLYJJPCD-UHFFFAOYSA-N 385.533 3.803 0 40 GHAB CC(C)O[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@@H]21 17704015 UDCFLSZANCKOQT-NTZUZEMLSA-N 382.497 3.657 0 40 GHAB CC1=C(C)C[C@@H]2C(=O)N(c3cccc(I)c3)C(=O)[C@H]2C1 18179558 QFQLXFXCINTLLA-KBPBESRZSA-N 381.213 3.527 0 40 GHAB Cc1csc(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)c1 19124544 RKNLVZHWSROEDV-OAHLLOKOSA-N 397.504 3.853 0 40 GHAB Cc1ncsc1-c1nnc(C2CCN(C(=O)Cc3ccccc3F)CC2)o1 19563145 CZUGINARCJAJDX-UHFFFAOYSA-N 386.452 3.589 0 40 GHAB O=C(c1cc(-c2cccc(F)c2)no1)N(Cc1ccccn1)C[C@@H]1CCCO1 19666753 WBZDWBIRMLIBTN-SFHVURJKSA-N 381.407 3.697 0 40 GHAB O=C(Nc1cccc(Cn2cncn2)c1)c1cc(-c2ccccc2Cl)no1 19716800 JUJJRCBWYJFZPN-UHFFFAOYSA-N 379.807 3.887 0 40 GHAB Cc1[nH]c2ccccc2c1CC(=O)N[C@H](CC(C)C)c1nnc2ccccn12 20739261 ZXEGXWGRLXIFAJ-LJQANCHMSA-N 375.476 3.965 0 40 GHAB O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CC[C@H]3CCCC[C@H]3C2)CC1 22241023 KYYRINIVQYRPIS-WBVHZDCISA-N 390.474 3.856 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(Cl)cc1C(F)(F)F 22875087 KAJDAKCATFOAMF-UHFFFAOYSA-N 381.741 3.707 0 40 GHAB S=c1[nH]c(/C=C/c2ccccc2)nn1CN1CCN(Cc2ccsc2)CC1 23249681 XZXNPBDTUUMZSN-VOTSOKGWSA-N 397.573 3.948 0 40 GHAB COc1cccc(C(=O)N(Cc2ccc(OC)c(OC)c2)c2ccccn2)c1 27662655 ANQBYTYRKXVZSA-UHFFFAOYSA-N 378.428 3.954 0 40 GHAB COC(=O)c1n[nH]c2ccc(NC(=O)c3cc(Br)ccc3F)cc12 28025943 KKAXWQYMWWKFSE-UHFFFAOYSA-N 392.184 3.503 0 40 GHAB CCN(CC)[C@@H](CNC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1 29166795 SBXKDBJXFBDVGZ-FQEVSTJZSA-N 392.503 3.869 0 40 GHAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccc(Br)cn2)o1 32610482 CBWVHSKDEWRXSQ-UHFFFAOYSA-N 376.210 3.885 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)NCCCCc1ccccc1)c1ccc(F)cc1 32802334 FAEDTYABBYKDFW-FQEVSTJZSA-N 380.467 3.971 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 32930199 IIQMWMZICZKHHG-AWEZNQCLSA-N 393.409 3.653 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)o1 33145516 TUIBATRUANGIMQ-UHFFFAOYSA-N 391.276 3.916 0 40 GHAB Cc1csc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)n1 35290214 KKCFDHCVDVUNCB-QGHHPUGFSA-N 375.523 3.542 0 40 GHAB CC(C)C[C@@H](CNc1nc(-c2cccnc2)nc2ccccc12)N1CCOCC1 40047103 KYMYJXLUERWYCS-IBGZPJMESA-N 391.519 3.851 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)S(=O)(=O)Cc1ccccc1C(F)(F)F 40105987 GEMHHPVBFHHPKK-WOSRLPQWSA-N 391.455 3.704 0 40 GHAB COc1ccccc1-c1n[nH]c(NC(=O)c2csc(Cc3ccccc3)n2)n1 40154211 DNESDTGJCYHDSU-UHFFFAOYSA-N 391.456 3.780 0 40 GHAB Cc1ccc(Cn2ccc3nc4ncnn4c(-c4ccc(F)cc4)c3c2=O)cc1 40398320 LQVBRDJPWYWXSJ-UHFFFAOYSA-N 385.402 3.602 0 40 GHAB CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44911437 ZGWCRIWPJZEXTB-GOSISDBHSA-N 384.451 3.853 0 40 GHAB C[C@@H](NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 45624947 OQHXXBKCZUEUIO-NEPJUHHUSA-N 397.363 3.950 0 40 GHAB C[C@@H](NC(=O)c1sccc1Br)c1ccc2c(c1)CCC(=O)N2 45977904 ZTIQTZPKTSBMNL-SECBINFHSA-N 379.279 3.886 0 40 GHAB CC[C@H](NC(=O)CSCc1c(C)noc1C)c1ccc2c(c1)OCCO2 55963754 WWYOAJRJEWVESW-INIZCTEOSA-N 376.478 3.563 0 40 GHAB O=C(CN1CCCC[C@@H]1c1nc2ccccc2s1)NC(=O)NC1CCCC1 57315250 HZWAOTQUSGLCQM-MRXNPFEDSA-N 386.521 3.592 0 40 GHAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 57985560 JFZYVMCVFFLBQC-IUODEOHRSA-N 391.265 3.524 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 59227231 QJGJKHIDTQJMCB-AWEZNQCLSA-N 386.835 3.508 0 40 GHAB CC(C)n1ncc(C(=O)N[C@H](C)COc2ccc(F)cc2F)c1C(F)(F)F 60337290 KNCKMZHPNLZXRO-SNVBAGLBSA-N 391.340 3.958 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)C)cc2)n1 61158931 UKWIGRZXDPGWCU-UHFFFAOYSA-N 390.487 3.939 0 40 GHAB COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccccc4F)c32)cc1O 61720686 KLCWJLADNMBSGY-LBPRGKRZSA-N 396.374 3.503 0 40 GHAB Cn1ccnc1SCC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 65477203 ZSROLCQJNNAJOY-UHFFFAOYSA-N 384.530 3.775 0 40 GHAB COc1ccc(-c2cc3c(=O)n(Cc4ccc(C)cc4)ccn3n2)cc1OC 67260799 BUWUDHBVYWCUEX-UHFFFAOYSA-N 375.428 3.537 0 40 GHAB O=C(NCc1cn2cc(Br)ccc2n1)c1cc2ccccc2cc1O 69567787 ZCGHGHXVGCDFHH-UHFFFAOYSA-N 396.244 3.886 0 40 GHAB COc1cc(CN(C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1O 72308064 JJSXWOHSFPOEAH-INIZCTEOSA-N 382.504 3.589 0 40 GHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 72345098 ALVKCYGSORGNPE-AVRDEDQJSA-N 390.527 3.907 0 40 GHAB CC(=O)N1CCC(N2CCC[C@@H](c3cccc(Cc4ccccc4)n3)C2)CC1 72350200 HTEDBJHAYWOEID-OAQYLSRUSA-N 377.532 3.863 0 40 GHAB CCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)CCC2 72372957 WIXKREFCNSHIDM-IBGZPJMESA-N 394.519 3.820 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 72377547 XITXDTALGAPOKQ-INIZCTEOSA-N 380.839 3.641 0 40 GHAB O=c1cc([C@H]2CCCN(Cc3ccccc3Cl)C2)nc(-c2ccncc2)[nH]1 72392920 ZYFXIAHSZCJUPV-KRWDZBQOSA-N 380.879 3.865 0 40 GHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)C1=Cc2ccccc2OC1 72396252 GXXOFGYPFAPGNL-OAQYLSRUSA-N 385.467 3.901 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)NCCc2nc(C3CC3)cc(C(F)(F)F)n2)c1 77101180 DAEYCGBQDFGWOO-UHFFFAOYSA-N 399.438 3.511 0 40 GHAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(O)c(Cl)c1 79188691 KIKZSKMYILLQKQ-QAPCUYQASA-N 386.787 3.608 0 40 GHAB biogenic CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1cccc2cccnc12 79495410 NNPHEVXTAMUTMB-LJQANCHMSA-N 396.472 3.727 0 40 GHAB COC(=O)[C@@H](CCSC)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344291 CIOHGOMOEGKMHB-MGPQQGTHSA-N 376.305 3.508 0 40 GHAB Cc1ccc(-n2nnnc2S[C@@H](C(=O)N(C)C2CCCCC2)C(C)C)cc1 84177472 INUFIKJQKDYVNJ-GOSISDBHSA-N 387.553 3.879 0 40 GHAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Nc1cccc(OC(F)(F)F)c1 95460848 PXGZYTVSKSKWFB-CQSZACIVSA-N 384.358 3.531 0 40 GHAB Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(=O)NCCc1ccncc1 96147621 YGVATEWPVSRXDG-UHFFFAOYSA-N 383.455 3.517 0 40 GHAB COCCNC(=O)c1cnc(-c2noc3cc(-c4ccccc4)ccc23)s1 96154510 WMJNVJLZRATZQG-UHFFFAOYSA-N 379.441 3.995 0 40 GHAB Cc1cccc(N2C[C@]3(CCN(C(=O)c4ccc5ccccc5n4)C3)CC2=O)c1 96238522 QDBAYRJSVXEFDU-XMMPIXPASA-N 385.467 3.812 0 40 GHAB COc1cccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)c1 98212671 FKUNKAFRPBAVCH-UHFFFAOYSA-N 394.450 3.623 0 40 GHAB C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)[C@H]1CCN(C2CCN(C)CC2)C1 107543073 ISDVVXGHEAQOSG-QAPCUYQASA-N 385.474 3.747 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 222501698 YUQNJZJASIQUIZ-YUVXSKOASA-N 375.468 3.848 0 40 GHAB CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223349880 DKEYRZHKGQERBH-QFIPXVFZSA-N 396.531 3.955 0 40 GHAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1 223674565 BRMQUXGQFYIDKH-OAQYLSRUSA-N 396.531 3.830 0 40 GHAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224394865 YKSUNPIQXIARRT-VQTJNVASSA-N 396.491 3.846 0 40 GHAB O=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 225146041 TUFJJXRGLFHQRE-GOSISDBHSA-N 379.287 3.811 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1Cl 225401035 UVWXUUCZEKQCMS-ZDUSSCGKSA-N 395.286 3.536 0 40 GHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21 225710676 MXUNTZVZGWSNDU-UHFFFAOYSA-N 388.514 3.785 0 40 GHAB Cc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225713597 UYGOQRWSSPOSSP-UHFFFAOYSA-N 390.530 3.773 0 40 GHAB Cc1ccc(/C=C/S(=O)(=O)N2CC[C@@H](Oc3cccc4cccnc34)C2)cc1 252552509 UUNBTNMUVNWKNH-IZLCOFNUSA-N 394.496 3.997 0 40 GHAB Cc1c(C(=O)N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)oc2ccccc12 257222839 DUVWAFCNTVUGOE-PXNSSMCTSA-N 383.419 3.925 0 40 GHAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257303659 SIDGAULWINDCEH-MRXNPFEDSA-N 398.470 3.510 0 40 GHAB Cc1ncsc1-c1cc(C(=O)N2CCCC[C@@H]3N(C)CCC[C@@]32C)ccn1 257308043 TVENDMFKILUVGB-RXVVDRJESA-N 384.549 3.993 0 40 GHAB Cc1ccc(CN2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@H]3C2)s1 306127790 GHRPBCLNQXBDAO-FPOVZHCZSA-N 396.537 3.874 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 390827483 YMCNYNJZGLYMAE-CQSZACIVSA-N 397.866 3.860 0 40 GHAB Cc1c(NCc2cnc3cccc(C)n23)cccc1S(=O)(=O)NC(C)(C)C 512595492 QNHSYQYSEBAHIX-UHFFFAOYSA-N 386.521 3.640 0 40 GHAB O[C@@]1(COc2ccc(F)cc2)COCCN([C@H]2CC[C@H](c3ccccc3)CC2)C1 585285024 BOYRRRRUNWGXRA-KIFXHHALSA-N 399.506 3.994 0 40 GHAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCN2C(=O)/C=C/c2ccco2)n1 585292922 UJNQHFCUHZHDFJ-DVBCCOPCSA-N 375.432 3.812 0 40 GHAB Cc1[nH]nc2ncc(CNc3ccc(NC(=O)CN4CCCCCC4)cc3)cc12 613781008 GAJDLBSFYZDIFA-UHFFFAOYSA-N 392.507 3.693 0 40 GHAB CC(C)c1ccc([C@@H](N)CNC(=O)c2c(F)cncc2Br)cc1 637831080 PTCQJXRBGBIYTA-HNNXBMFYSA-N 380.261 3.536 0 40 GHAB CC(C)(CN1C(=O)N2CC3CC2(C3)C1=O)c1ccc(Br)cc1Cl 656814800 LFOSUPYZQCYHJO-UHFFFAOYSA-N 397.700 3.807 0 40 GHAB C[C@@H]1Cc2cc(-c3ccc(CNCc4nnn(C(C)(C)C)n4)cc3)ccc2O1 657418811 LQDGQNDEVQJFJV-OAHLLOKOSA-N 377.492 3.708 0 40 GHAB COc1cc(NC(=O)N2CCO[C@@H](C(F)(F)F)[C@@H]2C)cc(Cl)c1OC 667287716 PZXPWRCKSZACSP-ISVAXAHUSA-N 382.766 3.541 0 40 GHAB O=S(=O)(NCc1cncc(-c2cccnc2)c1)c1ccc2c(c1)CCCC2 828390880 WEGRDBOADGRCEX-UHFFFAOYSA-N 379.485 3.501 0 40 GHAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1 1501054034 UDENYXNWHMXOSU-UHFFFAOYSA-N 394.924 3.558 0 40 GHAB CC1(C)CCC[C@@H](CNC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)C1 1564934092 SBPSVDSZYXUTOW-LJQANCHMSA-N 385.552 3.941 0 40 GHAB Cc1nc(CN2CCC[C@]3(CCCN(C(=O)c4ncccc4C)C3)C2)cs1 2056223711 BOQSRDDNGSWMQI-NRFANRHFSA-N 384.549 3.673 0 40 GHAB CCOc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1ccccc1F 807764 WUSNVOXWCRLSLK-QAPCUYQASA-N 377.437 3.592 0 40 GHAB CC1CCN(C(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)CC1 814786 OUDYSLUHCHXZDC-UHFFFAOYSA-N 385.464 3.523 0 40 GHAB COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)c1 908115 RMXLRJIDUXORBX-LJQANCHMSA-N 393.439 3.623 0 40 GHAB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC(C)C)cc3N2)cc1 2303370 QKGUGNKDLUPNBZ-ZFWWWQNUSA-N 382.386 3.690 0 40 GHAB CCOc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc1 2634688 KMALOKLPOVHRAW-UHFFFAOYSA-N 396.487 3.762 0 40 GHAB C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H]4COc5ccccc5O4)cc3c2C1 2645297 QJXNXPLSWVGJIB-GOEBONIOSA-N 376.456 3.863 0 40 GHAB CCOC(=O)CSC1=N/C(=C/c2cccs2)C(=O)N1C1CCCCC1 2785761 ZZGCVHBAYNCFAB-RVDMUPIBSA-N 378.519 3.916 0 40 GHAB O=S(=O)(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1cccc(O)c1 4248199 AGUXWPCSXSNXNP-GOSISDBHSA-N 384.482 3.994 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)c1cccc(I)c1 4659352 FZGXOSWESYHRJR-UHFFFAOYSA-N 395.196 3.720 0 40 GHAB COc1ccc(CCNC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1OC 4881007 UMSWAAAEIQAEQO-UHFFFAOYSA-N 386.835 3.985 0 40 GHAB biogenic CCSCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1Cl 4987025 PMOFMHGGMNSQJI-HNNXBMFYSA-N 378.885 3.517 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O 5304323 RHRFIEMBFWENML-OXQOHEQNSA-N 375.472 3.753 0 40 GHAB CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccncc1)N(c1cc(C)on1)C3=O 5325275 ODNYCTREKXHMJU-IBGZPJMESA-N 387.395 3.797 0 40 GHAB CCc1ccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 6168734 KTEMSSHCEYRXSP-UHFFFAOYSA-N 398.513 3.944 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 6206813 DQINUPKVROPSHJ-UHFFFAOYSA-N 397.456 3.568 0 40 GHAB COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 6421645 SMWWIHTVLSSQLU-VGOFMYFVSA-N 393.226 3.761 0 40 GHAB COc1ccc2c(C)cc3nnc(SCC(=O)N(C)Cc4ccco4)n3c2c1 6509133 IXPSSKYUZUFFTD-UHFFFAOYSA-N 396.472 3.543 0 40 GHAB CCn1nnc2cc(C(=O)N[C@@H](c3ccccc3)c3ccc(OC)cc3)ccc21 6880817 NOEBOMCETXTRTD-QFIPXVFZSA-N 386.455 3.979 0 40 GHAB O=C(COc1ccc(Br)cc1)NCCSCc1ccccc1 7642650 ZPZGMLNWUGCXQG-UHFFFAOYSA-N 380.307 3.878 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7738520 DKAMLCIYGUFPRD-AWEZNQCLSA-N 382.851 3.707 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc(Br)cc2)c1 7792338 BQBLCAMKYGFOIX-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB Cc1cc(C(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)c(C)n1C1CC1 8314366 FQLWDIXLTYWVRQ-AWEZNQCLSA-N 392.550 3.857 0 40 GHAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)N1CCC(Cc2ccccc2)CC1 8323916 XGOZCOKHPKQWQQ-INIZCTEOSA-N 399.564 3.750 0 40 GHAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)c(N2CCCC2=O)c1 8325253 QTKAJEPRMQFHMY-UHFFFAOYSA-N 386.835 3.880 0 40 GHAB O=C(c1ccc(F)cc1)N(Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 8869729 QLDHEQKDNMZZMH-FQEVSTJZSA-N 397.471 3.808 0 40 GHAB COc1ccc2sc(N(Cc3ccco3)C(=O)c3cc(C)nn3C)nc2c1 9200890 SGIDRHMBNIOIGU-UHFFFAOYSA-N 382.445 3.787 0 40 GHAB CCCCNC(=O)Nc1ccc2c(c1)nc(CSc1nccc(C)n1)n2C 9421113 SYHZJIRBXCMKTC-UHFFFAOYSA-N 384.509 3.886 0 40 GHAB Cc1cccc2sc(NC(=O)CCCS(=O)(=O)Cc3ccccc3)nc12 10686854 VUWWEEOSNTZIOM-UHFFFAOYSA-N 388.514 3.938 0 40 GHAB CCc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C(C)C)cc1 11049978 YPTBELNAMXDQCL-VLIAUNLRSA-N 380.492 3.733 0 40 GHAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(C(C)(C)C)cc2)n1 12123129 FTWIIPHRTFHUKZ-UHFFFAOYSA-N 391.475 3.691 0 40 GHAB C[C@@]1(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)CC(c2ccccc2F)=NO1 12193025 ZERYKTGIFSHPQO-NRFANRHFSA-N 396.397 3.731 0 40 GHAB O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc(F)cc1 12292719 PCXVPJDVCBCGEO-MOPGFXCFSA-N 391.870 3.863 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H](C)C2)c1 12536222 ZQHTVNWEVPWFQQ-HNNXBMFYSA-N 386.517 3.976 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1cccc(Br)c1)c1ccccc1F 12629425 MQBJXMSKEUNHOR-INIZCTEOSA-N 388.240 3.841 0 40 GHAB COc1ccc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1OC(F)F 12800196 LMUFHOULKPWGQS-UHFFFAOYSA-N 392.337 3.577 0 40 GHAB CNC(=O)c1cccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)c1 12923578 KHUDMBHZSNNYNG-UHFFFAOYSA-N 395.484 3.571 0 40 GHAB CCOc1ccc(CN(C)C(=O)Cn2c(S)nnc2-c2ccc(C)cc2)cc1 12993464 CFFMXOCBTHMFMG-UHFFFAOYSA-N 396.516 3.600 0 40 GHAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)c(C)c1 13426969 CVBNSRLDSZGZIU-AIUXHPFZSA-N 392.455 3.896 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1 13579531 FZNNTZDKVSLFOG-OAHLLOKOSA-N 380.444 3.560 0 40 GHAB O=C(NCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(F)c(Cl)c1 13604856 UHHHECZBYGWMBG-UHFFFAOYSA-N 386.814 3.525 0 40 GHAB O=S(=O)(Cc1ccc(Br)cc1)NCCCc1ccc(F)cc1 13672051 KDBXGWCKYVSGBZ-UHFFFAOYSA-N 386.286 3.640 0 40 GHAB O=C(Nn1cnc2ccccc21)c1oc2ccccc2c1CSc1nnc[nH]1 14022158 RYPZBJCQDLJFSR-UHFFFAOYSA-N 390.428 3.577 0 40 GHAB COc1ccc(N2C[C@@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCC3)cc1 15953390 LGZOZARSFKNPGL-OAQYLSRUSA-N 389.422 3.557 0 40 GHAB CC(C)COC(=O)c1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1 16740500 LHMWPWXPAHKZEZ-UHFFFAOYSA-N 389.521 3.924 0 40 GHAB Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)on1 19121295 DFOXTFDMGDGYTD-SFHVURJKSA-N 382.439 3.819 0 40 GHAB COc1ccc(CN[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cc1 19285342 PHNUZUYDHUMHEK-FQEVSTJZSA-N 383.879 3.814 0 40 GHAB Cc1nccn1C[C@@H](C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 19287773 XKNYMGMEDWPZFP-GOSISDBHSA-N 384.524 3.577 0 40 GHAB Cn1ccnc1C1(O)[C@H]2CCC[C@@H]1CN(Cc1ccc(Cl)c(Cl)c1)C2 19291373 NEWARMKUVZKCRX-RTHVDDQRSA-N 380.319 3.847 0 40 GHAB O=C(c1cccnc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(CC3CC3)CC[C@@H]21 19337845 ZESCLCUFIRMKOA-FKBYEOEOSA-N 379.479 3.561 0 40 GHAB CCCn1cc(C(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c(C)n1 19526032 ZADCUSPKZFPTPD-UHFFFAOYSA-N 389.503 3.949 0 40 GHAB COc1cccc(CC[C@H]2CCCCN2C(=O)c2ccc(-n3cnnc3)cc2)c1 19659318 ADIANVQFFYWCFQ-OAQYLSRUSA-N 390.487 3.903 0 40 GHAB Cn1nc(C(=O)Nc2cccc(Cn3cncn3)c2)cc1-c1ccc(Cl)cc1 19717166 RFSOXWWGGRXAOP-UHFFFAOYSA-N 392.850 3.633 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2ccc(OC)c(OC)c2)c(C)c1 20487978 HMRCEVOTIINICY-UHFFFAOYSA-N 389.473 3.920 0 40 GHAB O=C(O)C1CCN([C@H](C(=O)O)c2c(-c3ccccc3)[nH]c3ccccc23)CC1 20744600 SUSKHZZWZRHDIT-FQEVSTJZSA-N 378.428 3.757 0 40 GHAB C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)NCc1ccccc1F 22575850 IOPUDJTYWQLYOH-HNNXBMFYSA-N 382.435 3.878 0 40 GHAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](c1ccccc1)N1CCN(C)CC1 22584560 LDVMRSNXMJHWJZ-LOTWAOFLSA-N 395.591 3.696 0 40 GHAB COc1ccc([C@H](CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)NC(C)=O)cc1 23764769 VDCPXAIKWBSKSG-RBZFPXEDSA-N 390.430 3.760 0 40 GHAB CSc1ccc(C)c(C(=O)N2CSC[C@H]2C(=O)NCc2ccccc2)c1 24666505 GVGCBDWNZRFZQX-SFHVURJKSA-N 386.542 3.548 0 40 GHAB CN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)[C@@H]1CCc2ccccc21 30977139 OFYJRGMXIRJGBH-OAQYLSRUSA-N 387.483 3.882 0 40 GHAB COc1ccccc1-n1cnc2cc(C(=O)Nc3ccccc3F)ccc2c1=O 32089856 RCGNKFBKDZKYRG-UHFFFAOYSA-N 389.386 3.786 0 40 GHAB COc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc2c1OCO2 35324383 FNTIWJXAAWKGKV-AWEZNQCLSA-N 397.818 3.737 0 40 GHAB O=C(Cn1ccc2c(Br)cccc21)N1CCN(c2ccccc2)CC1 40286629 IMWXUMVRUDTUGA-UHFFFAOYSA-N 398.304 3.753 0 40 GHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccccc2F)n2ncnc2N1 40484544 MLEDDSUKJBGQES-QGZVFWFLSA-N 383.814 3.998 0 40 GHAB CN(C)[C@@H](CNC(=O)COc1ccc(Cl)c2cccnc12)c1ccsc1 43286077 OUVFCRSLDIINIS-INIZCTEOSA-N 389.908 3.748 0 40 GHAB C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2Br)C[C@@H](C)O1 44078739 FFCFTQMSPDBNPQ-RKDXNWHRSA-N 392.091 3.853 0 40 GHAB CC1CCC(NC(=O)c2snc(-c3ccccn3)c2NC(=O)C2CC2)CC1 49007820 XXVPROFPNOHXJR-UHFFFAOYSA-N 384.505 3.862 0 40 GHAB Cc1cc(C)c(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)c(C)c1 49404059 CQQZIPWRSGUVKS-UHFFFAOYSA-N 381.505 3.935 0 40 GHAB O=S(=O)(c1cccs1)N1CCC(Oc2nc3ccccc3s2)CC1 49443677 PVUXUNPDFMONFJ-UHFFFAOYSA-N 380.516 3.590 0 40 GHAB Cc1cccn2c(=O)cc(CNc3ccc(Cl)cc3C(=O)N3CCCC3)nc12 55866777 YQXNOGIWWHUTKK-UHFFFAOYSA-N 396.878 3.504 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)C1CCCCC1 56945221 GQOMAKAMRKKAPJ-NRFANRHFSA-N 381.520 3.839 0 40 GHAB CNCCCNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 57387119 RAYZFBNKPXDRIQ-UHFFFAOYSA-N 393.325 3.736 0 40 GHAB COc1ccccc1NC(=O)Cn1c(-c2cccc(Cl)c2)nc(C)c(C)c1=O 57527938 DKIXOKFOMCJDBB-UHFFFAOYSA-N 397.862 3.828 0 40 GHAB CCC(CC)C(=O)N1CCC(NC(=O)c2cccnc2SC(C)C)CC1 58202911 KNARUPXIJQYJMX-UHFFFAOYSA-N 377.554 3.739 0 40 GHAB FC(F)(F)Oc1ccc(Cc2nnc3sc(-c4cccnc4)nn23)cc1 61721082 PVIYEJYFQQEFNV-UHFFFAOYSA-N 377.351 3.737 0 40 GHAB O=C(Nc1nc(-c2ccccc2)ns1)N1CCN(Cc2ccccc2)CC1 65751598 VLXXBTRNMSGOJB-UHFFFAOYSA-N 379.489 3.555 0 40 GHAB COc1ccc(/C=C\C(=O)Nc2nnc([S@@](=O)Cc3ccccc3)s2)cc1 72238650 PMSHNKFUBFHVMF-TXYHNWRPSA-N 399.497 3.506 0 40 GHAB CCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 72403022 JNQRUWGWPSCABU-FQEVSTJZSA-N 386.536 3.882 0 40 GHAB Cc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccco2)CC[C@H](C)C3)n(C)n1 89591733 ZXFPWNKMDJXPBG-NSHDSACASA-N 383.473 3.991 0 40 GHAB CCO[C@H](C)c1noc(CN2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)n1 95399071 KCBFZVLVASPCOE-CQSZACIVSA-N 382.464 3.946 0 40 GHAB CC(C)n1ncc2c(C(=O)Nc3ccccc3CC(=O)O)cc(C3CC3)nc21 95427691 IJLNFFICNFZDBY-UHFFFAOYSA-N 378.432 3.769 0 40 GHAB Nc1nc(=O)[nH]c(-c2ccc(C(F)(F)F)cc2)c1C(=S)Nc1ccccc1 95619082 KHPAPGKNLLHCIS-UHFFFAOYSA-N 390.390 3.826 0 40 GHAB CCCCOc1ccc(NC(=O)NC[C@H](O)c2ccc3c(c2)CCN3C)cc1 96363122 PMMDSKGZANSCCU-NRFANRHFSA-N 383.492 3.713 0 40 GHAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)[C@H]1C[C@H]2CC[C@H]1C2 104016201 VLQSNDFGVIUZGP-PGSNGQOISA-N 390.474 3.758 0 40 GHAB O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106758992 UVKOTZXHBPXPJP-RLFYNMQTSA-N 375.900 3.842 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 113941564 LMXYQXPUBPZGFX-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 113956674 HOPJDRQJNBWVPF-QGZVFWFLSA-N 386.517 3.661 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCN1CCCc2ccccc21 219365241 XKWNUHHEFDDVOU-JOCHJYFZSA-N 382.504 3.812 0 40 GHAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2O1 222946344 IZOSAJWIZJMOTG-NRFANRHFSA-N 390.414 3.550 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC2CC2)cc1 223421474 DWDKVPUTGFVWMW-UHFFFAOYSA-N 388.489 3.935 0 40 GHAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(Cl)c(C(=O)OC)c2)cc1 224603690 SDQFTMWQVOBORR-UHFFFAOYSA-N 397.880 3.741 0 40 GHAB CCOc1ccc(C(=O)N2CCN(C)CC2)cc1COc1ccc(C)c(C)c1 224624347 HMZABZUIHAAYOZ-UHFFFAOYSA-N 382.504 3.669 0 40 GHAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NCc3ccncc3)n2)cc1 225200600 XJKVLNUEJAEDBQ-UHFFFAOYSA-N 394.504 3.809 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 225213907 MDPKTVKNTAWGKU-OAHLLOKOSA-N 390.936 3.904 0 40 GHAB O=S(=O)(Cc1noc2ccccc12)NCc1cncc(-c2cccs2)c1 225669452 CJDJWSLZUNKWNR-UHFFFAOYSA-N 385.470 3.571 0 40 GHAB Cc1nccn1-c1ccccc1CNC(=O)COc1ccc2c(c1)CCCC2 225848864 LKPVFBHZMWUALW-UHFFFAOYSA-N 375.472 3.755 0 40 GHAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)CN(C(=O)c1ccncc1)CCO2 257211105 BXNFYQJFALMGTN-FUDKSRODSA-N 380.488 3.727 0 40 GHAB CC1CCN(C(=O)CN2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)CC1 257340085 ZEKLOMQRYRKCNJ-JOCHJYFZSA-N 397.494 3.520 0 40 GHAB COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C/[N+](=O)[O-])cc1 408537688 WRFRMOKVHPUNEF-CMDGGOBGSA-N 378.178 3.924 0 40 GHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2S)c(F)c1F 408627105 KFMQTRMUMOVTBF-UHFFFAOYSA-N 390.383 3.667 0 40 GHAB O=C(NCCO)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408978886 OEKNYGMIAXBHDR-UHFFFAOYSA-N 381.482 3.809 0 40 GHAB CN(C)NC(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408979397 QIRZKKKFYJMLTP-UHFFFAOYSA-N 379.445 3.913 0 40 GHAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)C1=O 409067065 OYDFVFMULVOXSO-IZZDOVSWSA-N 390.244 3.601 0 40 GHAB COc1cccc([C@H]2CC(=O)c3c(nc4c(cnn4-c4ccccc4)c3N)C2)c1 618256951 OVEPUQWRGUHNCI-OAHLLOKOSA-N 384.439 3.924 0 40 GHAB C[C@H]1CN(CC(F)(F)F)CCN(C(=O)Cc2cccc(Cl)c2Cl)C1 622660967 SZXSPYFGXXJKOT-NSHDSACASA-N 383.241 3.879 0 40 GHAB O=C(CC1CCCCC1)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615156187 KKSXLMABYTUGSP-JOCHJYFZSA-N 388.483 3.521 0 40 GHAB O=c1c2ccccc2ncn1CC1CCN(c2cc(C(F)(F)F)ccn2)CC1 1775972848 YPRJNMLZZHAGIA-UHFFFAOYSA-N 388.393 3.727 0 40 GHAB Cc1noc(C)c1CN1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 1775975234 DETAPTMZCNSREC-UHFFFAOYSA-N 383.883 3.724 0 40 GHAB O=c1c2ccccc2ncn1CC1CCN(c2ccnc(C(F)(F)F)c2)CC1 1888888090 ZRKYQFYYUFGAHF-UHFFFAOYSA-N 388.393 3.727 0 40 GHAB COc1cccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1OC 688801 HZGOFVPSUNIDBY-KRWDZBQOSA-N 382.445 3.781 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc2c3cc(F)ccc3n(C)c2n1 1366362 BNKODLGGXZWZET-VXGBXAGGSA-N 387.484 3.537 0 40 GHAB CCCCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C)c1ccccc1 2917358 AFTWCSIYCIQLKU-UHFFFAOYSA-N 388.471 3.942 0 40 GHAB COc1ccc([C@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCCC3)cc1OC 2974514 SNLLKAPQNKPXSD-XMMPIXPASA-N 395.523 3.971 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 3376108 BMYIKEPIFXDDPI-SFHVURJKSA-N 382.366 3.764 0 40 GHAB CSc1ccccc1C(=O)OCC(=O)Nc1ccccc1Br 3419917 PEXJJYDXEVABPL-UHFFFAOYSA-N 380.263 3.967 0 40 GHAB CC(=O)Nc1ccc(C(=O)CSc2nnc(COc3cccc(C)c3)o2)cc1 3442672 MARVGEVQVWDRQG-UHFFFAOYSA-N 397.456 3.890 0 40 GHAB C[C@H]1CCc2nc3ccccc3c(C(=O)O[C@@H](C)C(=O)NC3CCCC3)c2C1 3451133 WEKHTMWFUVEHKH-GJZGRUSLSA-N 380.488 3.964 0 40 GHAB COc1ccc(CN(C)CC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 3585815 OAJGUXVCSCHZJK-UHFFFAOYSA-N 382.382 3.793 0 40 GHAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCCO)C(=S)Nc3ccccc3)cc12 4127623 QDZWOHPDCBWKMM-UHFFFAOYSA-N 395.528 3.726 0 40 GHAB O=C(OCc1ccccc1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4174409 XXYQWZDFBGGFJB-JSJNYSNDSA-N 375.424 3.579 0 40 GHAB COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)C(C)(C)C)C2)C3)cc1 4237359 VCOFWAXUQRLWLL-DOTOQJQBSA-N 380.488 3.516 0 40 GHAB biogenic,in-vitro COc1ccc(-n2ccn(Cc3c(F)cccc3Cl)c(=O)c2=O)cc1Cl 4569908 AZJWUNHQTJIPHQ-UHFFFAOYSA-N 395.217 3.502 0 40 GHAB CC[C@@](C)(C(=O)Nc1ccccc1C)N(C(=O)CNC(C)=O)c1ccccc1C 4675769 IPKVNOXNTQYMMF-QHCPKHFHSA-N 395.503 3.580 0 40 GHAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc2c(c1)OCCCO2 4847026 ZQZLGIHIFHOGLM-UHFFFAOYSA-N 397.761 3.575 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccc(C)cc2)cc1 4928808 PJOQTKRGYPPCLB-HXUWFJFHSA-N 375.428 3.953 0 40 GHAB O=S(=O)(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1cc(F)ccc1F 5084105 BMNPLONXIHVBEJ-UHFFFAOYSA-N 393.440 3.735 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C 5131597 SZPJRVJQEKDPJV-UHFFFAOYSA-N 398.488 3.620 0 40 GHAB COc1ccc(-c2nnc3c4cnn(-c5ccccc5Cl)c4ncn23)cc1 5325081 XJWYMQROXJHLRX-UHFFFAOYSA-N 376.807 3.792 0 40 GHAB O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccnc3)c(=O)n1C2 5396556 IDPPFFICKOMJNY-FUHWJXTLSA-N 386.455 3.562 0 40 GHAB biogenic,in-vitro C[C@H]1C[C@H](C)CN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 5603793 LKWXAYMDUVCMDZ-IRXDYDNUSA-N 386.517 3.630 0 40 GHAB C/C(NCc1ccccc1Cl)=C1/C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 5800585 SSUHQQYWHHEPRQ-NBVRZTHBSA-N 397.862 3.603 0 40 GHAB CC1CCN(CC(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)CC1 6087125 XTBPVBRMHBUSDD-NRFANRHFSA-N 376.928 3.869 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1C 6301339 YNHKBNOIBKZBAK-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB CCOc1ncccc1C(=O)N(C)Cc1cc(Br)ccc1OC 6560274 RMCULSBLKAHLIR-UHFFFAOYSA-N 379.254 3.524 0 40 GHAB Cc1nnc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)s1 6748101 QENDYRNRETXJGJ-UHFFFAOYSA-N 395.872 3.974 0 40 GHAB C[C@H](Sc1nc2sccc2c(=O)n1-c1ccccc1)C(=O)NC1CCCC1 6907482 VKEIIRNALYSHLO-ZDUSSCGKSA-N 399.541 3.987 0 40 GHAB Cc1ccc(OCc2ccc(C(=O)N3N=CC[C@@]3(O)C(F)(F)F)o2)c(C)c1 6922422 XAFAELJDVXIHKI-QGZVFWFLSA-N 382.338 3.558 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc(N2CCCC2)cc1 7191404 DAQKLNTZYBLKHV-UHFFFAOYSA-N 383.521 3.821 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1ccc2ccccc2n1 7199699 XVIOOKKUBKIKON-MRXNPFEDSA-N 380.469 3.625 0 40 GHAB COc1ccc(-c2nnc([C@H](C)Sc3nnc(-c4ccncc4)n3C)o2)cc1 7329622 ZUPXDMHQVBYPCJ-LBPRGKRZSA-N 394.460 3.789 0 40 GHAB CCCCCC(=O)NC(=S)Nc1ccc(I)cc1 7445554 LHVAMKCUAWCGSG-UHFFFAOYSA-N 376.263 3.685 0 40 GHAB Cc1cc(C(=O)OCC(=O)N(C)Cc2ccccc2)c(C)n1Cc1ccccc1 7575062 LJRBSKZJTVRDBV-UHFFFAOYSA-N 390.483 3.969 0 40 GHAB CC(C)c1ccc(CN(CC(=O)N2CCN(c3ccccn3)CC2)C2CC2)cc1 7797995 LKPFJPPCSZQYDU-UHFFFAOYSA-N 392.547 3.518 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 7882495 BNAWQLUWOWHHKJ-MRXNPFEDSA-N 390.439 3.849 0 40 GHAB CN(Cc1ccsc1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 8172599 VCRFJCREXTXTFE-UHFFFAOYSA-N 386.498 3.821 0 40 GHAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)no1 8184661 JKRSAAKDVTXSEL-JTQLQIEISA-N 375.479 3.757 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1 8356903 DSJNREIMHAIWMK-ZDUSSCGKSA-N 399.422 3.703 0 40 GHAB CCNC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 8390728 UIADCRXRWQRMJF-UHFFFAOYSA-N 391.475 3.892 0 40 GHAB CC(=O)Nc1ccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1 8404262 XKFYVCOIYHDLIL-UHFFFAOYSA-N 376.460 3.720 0 40 GHAB COCC(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 8734832 JSGVHVDGVARETE-UHFFFAOYSA-N 383.879 3.857 0 40 GHAB CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 9936504 WSLSHYYMGLPZDZ-HNNXBMFYSA-N 379.439 3.763 0 40 GHAB CCOC(=O)CC(=O)CSc1nnc(-c2ccccc2)c2sc(C)nc12 11027727 DLXILDBJAGYXDZ-UHFFFAOYSA-N 387.486 3.676 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3N3CCCC3)CC2=O)cc1 12521717 CIOJTSUBGCXSEZ-SFHVURJKSA-N 377.488 3.841 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccnc1N1CCOCC1 14181834 OHAKHXZXRXHTDX-UHFFFAOYSA-N 389.455 3.750 0 40 GHAB CC(=O)c1ccc(OCCCC(=O)NCc2ccc(Cn3cccn3)cc2)cc1 14198645 YEWMHUXRTDQWGK-UHFFFAOYSA-N 391.471 3.609 0 40 GHAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1 14404457 ZKAPICOIUAXZOO-UHFFFAOYSA-N 377.448 3.597 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)N1CCN(Cc2cccc3cccnc23)CC1 14814996 HGMNPEKIHWUQBH-UHFFFAOYSA-N 398.510 3.993 0 40 GHAB Cc1ccc(SCCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 16108728 OPBZRMFHZUGMMQ-HNNXBMFYSA-N 377.531 3.758 0 40 GHAB C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)OCCO2 18109849 WZJVGJKQEBQZLP-KRWDZBQOSA-N 380.488 3.935 0 40 GHAB Cc1ccc(-c2nnc([C@H]3CCCN3S(=O)(=O)c3cccc(F)c3)o2)s1 19217801 NEQOTINOCKUDAK-CQSZACIVSA-N 393.465 3.771 0 40 GHAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)Cc2cccs2)C1 19461447 ZVWDQSSEHSWBKE-KRWDZBQOSA-N 378.501 3.973 0 40 GHAB Cc1cc(Nc2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)nc(C)n1 19655023 FUILAKHHBPRSON-UHFFFAOYSA-N 394.504 3.534 0 40 GHAB Cc1nc(-c2ccccc2F)sc1C(=O)N[C@H](C)Cc1c(C)nn(C)c1C 19714482 YPMKIBKDFMCURJ-LLVKDONJSA-N 386.496 3.969 0 40 GHAB COc1ccc(-c2nc(C(=O)NCc3nnc(-c4ccccc4)o3)cs2)cc1 19717295 XUYAQMXBHFHPPQ-UHFFFAOYSA-N 392.440 3.799 0 40 GHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C3 19816579 RXJQRTQKULBDAK-CYBMUJFWSA-N 398.488 3.556 0 40 GHAB Cc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1C 19946730 XIEGYNKLCIIDHD-UHFFFAOYSA-N 382.485 3.861 0 40 GHAB COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1N1CCCC1=O 20108218 YZTXINZWNGPKET-UHFFFAOYSA-N 388.489 3.548 0 40 GHAB Cc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3ccc(F)cc3)C2)o1 20414209 FPNCFGPUVOQYAF-IBGZPJMESA-N 399.447 3.730 0 40 GHAB CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2ccccc21 20738513 CMSVVOHBRGSGCY-HXUWFJFHSA-N 378.819 3.780 0 40 GHAB CCN(CC)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 21212728 XRRHRPLHHCFYJT-UHFFFAOYSA-N 392.503 3.620 0 40 GHAB CC(=O)c1ccc(OC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1 24259022 CULFVUQVTYVMQH-UHFFFAOYSA-N 399.402 3.905 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 28207108 ZKRVLCPTRWQKNO-JKSUJKDBSA-N 386.517 3.745 0 40 GHAB COc1ccc(-c2noc(COC(=O)c3cccc4c3O[C@@H](C)[C@H]4C)n2)cc1 32836023 XPWHSXMKMYXHGT-OLZOCXBDSA-N 380.400 3.987 0 40 GHAB O=S(=O)(N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccc2c(c1)OCCO2 32935753 CPQLGLFQVNSOGF-FQEVSTJZSA-N 391.464 3.807 0 40 GHAB COCCN1CCCc2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc21 35588267 HIPKLGBYRVJNSZ-UHFFFAOYSA-N 394.924 3.848 0 40 GHAB CCn1ncc(-c2cc(C(F)F)nc(N(C)Cc3cn4ccccc4n3)n2)c1C 36618545 WJTXNQUHXGCPJM-UHFFFAOYSA-N 397.433 3.890 0 40 GHAB COc1ccc2ccc(OC(=O)CN3C(=O)[C@H](C)Oc4ccccc43)cc2c1 40024697 URCDUHWQOHYCPW-AWEZNQCLSA-N 377.396 3.568 0 40 GHAB Cc1oc(-c2cccs2)nc1CC(=O)N1c2ccccc2[C@H](C(N)=O)C[C@@H]1C 40069819 SLIMISOSGXUWFE-SWLSCSKDSA-N 395.484 3.648 0 40 GHAB O=C1CCCN1C[C@@H](NCc1ccc(Br)s1)c1ccccc1 47795002 XTHOJHBDHORMPI-OAHLLOKOSA-N 379.323 3.964 0 40 GHAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2sccc2[C@H]1c1ccccc1 52611496 PNVRPYZUCZTLIT-AUUYWEPGSA-N 380.469 3.634 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1 55650396 WBTUQCFUNTWSMP-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB CN1CC(Oc2ccc(Cl)cc2)=NC(SCC(=O)Nc2ccccc2)=N1 57401488 CKLLVBOUPCODAQ-UHFFFAOYSA-N 388.880 3.706 0 40 GHAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cn2cccnc2n1 60885083 WUJDLXSDVXPNGN-UHFFFAOYSA-N 397.232 3.682 0 40 GHAB COC(=O)CCCNC(=O)/C=C/c1ccc(OCc2ccccc2C)c(OC)c1 62715175 LPBMXNPIQKILRD-ACCUITESSA-N 397.471 3.665 0 40 GHAB Cc1cc2n(C[C@@H](O)c3ccccc3C(F)(F)F)c(=O)c3ccccc3n2n1 65575393 AYRWZEWCGUQQKN-QGZVFWFLSA-N 387.361 3.710 0 40 GHAB COc1cccc(-c2[nH]nc3c2CN(Cc2ncc(C)c(OC)c2C)CC3)c1 67788054 HHEJXOLNPMHWPW-UHFFFAOYSA-N 378.476 3.664 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1Cl 69515898 IPKRDOMGJFQGCD-HNNXBMFYSA-N 392.908 3.688 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 70776044 WBNNEVBNSVZMHQ-CYBMUJFWSA-N 380.897 3.978 0 40 GHAB CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1 72314308 MKBPQWJQBSISAJ-UHFFFAOYSA-N 394.519 3.565 0 40 GHAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 72377134 OJYXOUSTNJDNJU-INIZCTEOSA-N 397.479 3.997 0 40 GHAB CCc1noc(C)c1C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 83817434 ONZGVGHMUCIRAS-UHFFFAOYSA-N 383.370 3.653 0 40 GHAB CCCN(CC(=O)N(C)C)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 84750345 MWRUDYFEYMNNRZ-UVTDQMKNSA-N 376.806 3.613 0 40 GHAB COc1ccccc1-c1nnc(SCc2nncn2C)n1-c1ccc(C)cc1 89643098 JAUMRFCZVYTYPH-UHFFFAOYSA-N 392.488 3.672 0 40 GHAB CN(C[C@H](O)c1ccc(F)cc1F)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 89661746 SWSGFJCZYAYXOY-IEBWDACRSA-N 396.478 3.861 0 40 GHAB COC(=O)[C@@H]1c2ccccc2CCN1Cc1ccc(OCC(F)(F)F)cc1 95405174 HFAKOAIYWZWHPS-SFHVURJKSA-N 379.378 3.900 0 40 GHAB Cn1c(CCCNC(=O)CC2(n3cccc3)CCSCC2)nc2ccccc21 96230873 LIYLUKNEUPTHEO-UHFFFAOYSA-N 396.560 3.736 0 40 GHAB Cc1nc(CN2CC[C@@]3(CN(Cc4cccnc4)CCC3(F)F)C2)cs1 96239787 LLECEMKWEQJHRL-GOSISDBHSA-N 378.492 3.580 0 40 GHAB Cc1cccc(NC(=O)[C@H]2C(=O)N[C@]34CCCC[C@@H]3[C@@H]2c2ccccc2O4)c1 100747916 SPSIPKWKABOJQM-UYOCQKMUSA-N 376.456 3.742 0 40 GHAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc(OC)c1O 101175228 CFBIVVPQSCMBOS-SFJWECLTSA-N 391.514 3.812 0 40 GHAB COc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3Cl)C2=O)c(OC)c1 101276112 LWMKSPCCEMSIOX-ZDUSSCGKSA-N 395.242 3.755 0 40 GHAB CCc1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 102623746 YVLRKMGZPCJNLD-ZCLUNYJNSA-N 387.435 3.780 0 40 GHAB Nc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C1=C(O)c3ccccc3C1=N2 102704899 XKKLTPPHFMUAMV-CYBMUJFWSA-N 376.803 3.555 0 40 GHAB C/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)N(c2ccccc2)C(=O)N=C1O 103122965 NOXFWGOISWYROR-RGEXLXHISA-N 388.427 3.697 0 40 GHAB C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1[C@]1(O)CC(=O)CC[C@]31C 135617773 RQANBDIXNMIXPA-DHHRPGCOSA-N 384.516 3.501 0 40 GHAB CCOC(=O)c1cn(Cc2cccnc2)c2cc(C(F)(F)F)ccc2c1=O 199787876 SOGAOKXNAWQLJZ-UHFFFAOYSA-N 376.334 3.640 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 222487035 GAOUOCXSJKHSKH-GOSISDBHSA-N 396.531 3.835 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c(C)c1 222560084 UWDJGMNGVZGWOA-QGZVFWFLSA-N 386.517 3.724 0 40 GHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1 223133062 KPTLJXDIKTTXST-HXUWFJFHSA-N 382.504 3.788 0 40 GHAB COc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 223984467 OXKUIOBVQPIVEL-DLBZAZTESA-N 383.488 3.925 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)cc1 225501589 UFZJPUQCHHNAJU-MRXNPFEDSA-N 388.533 3.916 0 40 GHAB O=C1CC2(CCN(S(=O)(=O)c3cccs3)CC2)Oc2c(Cl)cccc21 225828342 VKQPABSHQCOZLK-UHFFFAOYSA-N 397.905 3.590 0 40 GHAB NNc1nc2c(Br)cc(NC(=O)c3ccc(F)cc3)cc2s1 226310307 NQOKGTIHHNBGRW-UHFFFAOYSA-N 381.230 3.736 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1c(Br)cc(N)cc1OC 227146985 OUZIFMIJFALFBA-UHFFFAOYSA-N 385.645 3.954 0 40 GHAB C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ncc(C(=O)O)[nH]1 256053038 PTBYSKNLROJYNL-GFCCVEGCSA-N 377.400 3.708 0 40 GHAB Cc1nc2cc([C@H]3CCCN3C(C)C)nn2c(C)c1CCC(=O)N1CCCCC1 257212063 CBTRIPCYDNJMSU-OAQYLSRUSA-N 397.567 3.837 0 40 GHAB COCCN1C(=O)CC[C@@H](C(=O)N(C)C2CCCCC2)[C@@H]1c1ccccc1F 257307410 SYNHUPWDHIWNBP-NQIIRXRSSA-N 390.499 3.543 0 40 GHAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 408617610 ASBNIDSOCAJLHM-MDZDMXLPSA-N 380.473 3.737 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1NC(=O)CC 408696894 FVSTYWPPENXVRB-UHFFFAOYSA-N 376.478 3.851 0 40 GHAB C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccnc1 408736699 FULXALRQKSDJQC-CRAIPNDOSA-N 385.464 3.519 0 40 GHAB O=C(O)c1cccc(NC2CCN(c3nc4ccccc4cc3CO)CC2)c1 563213269 CASXXVBZGKHQTK-UHFFFAOYSA-N 377.444 3.506 0 40 GHAB COc1ccc(Br)c(C(=O)NCC[C@@H](CCO)c2cccs2)c1 575608761 YFNUWZFKAQZCAF-LBPRGKRZSA-N 398.322 3.805 0 40 GHAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc[nH]c2C2CC2)CC1 585080884 HRZTWTBMYWSSJG-OAHLLOKOSA-N 384.499 3.664 0 40 GHAB O=C1N(Cc2ccccc2COc2ccccc2Cl)C(=O)C23CC(CN12)C3 656804292 FTDWXNCDWGNRCL-UHFFFAOYSA-N 382.847 3.846 0 40 GHAB CC1(C)CN(C(=O)C2(N)CC3(CCC3)C2)[C@H]1C1CCN(Cc2ccccc2)CC1 663022825 PTWQNAOUBNANPG-NRFANRHFSA-N 395.591 3.797 0 40 GHAB O=C(c1nc(-c2ccccc2)oc1C1CC1)N(C[C@@H]1CCCO1)c1ccnnc1 1119434000 IMFQAJXJFIQHMA-SFHVURJKSA-N 390.443 3.835 0 40 GHAB S=C(Nc1ccc(Br)cc1)NC1CCN(c2ccncc2)CC1 1196642605 MSPIETSQVJBLFA-UHFFFAOYSA-N 391.338 3.800 0 40 GHAB COc1ccc2cc(NC(=O)N3Cc4ccccc4NC(=O)[C@H]3C)ccc2n1 1215091291 ATLRAILMJJIAAU-CYBMUJFWSA-N 376.416 3.618 0 40 GHAB COc1ccc(-c2csc3nc(C)nc(N4CCC[C@@H](O)C4)c23)cc1OC 22342051 SCLRKJQCMCTXFL-CQSZACIVSA-N 385.489 3.645 0 40 GHAB CCNC(=S)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O 920040 CJPSLONNTCFTHD-UHFFFAOYSA-N 379.529 3.776 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ccc(-c2ccc3c(c2)OCCO3)nn1 1332307 CNQXCKUXXDKACE-HUUCEWRRSA-N 399.516 3.796 0 40 GHAB COc1ccccc1/C(C)=C/C(=O)Nc1cccc(CN2CCC(O)CC2)c1 79019202 GOJKXNRYHZTTOE-SAPNQHFASA-N 380.488 3.694 0 40 GHAB COc1cccc2c(=O)n(CC(=O)Nc3ccc(Cl)c(Cl)c3)ccc12 2712166 SDFIGMBWDXXGIS-UHFFFAOYSA-N 377.227 3.956 0 40 GHAB CCOC(=O)[C@H](C(C)=O)[C@H](C)[C@@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3846304 PFRRINIMSRUQHA-RCUJSYDTSA-N 396.524 3.600 0 40 GHAB Cc1nnc(S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C(=O)O)[nH]1 6611410 HISKVVIHIKXEEW-NVNXTCNLSA-N 385.401 3.598 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)c2ccc(C)c(OC)c2)cc1OCC 7146759 MLRGKVIAKZIMNE-UHFFFAOYSA-N 387.432 3.597 0 40 GHAB Cc1ccc(OCCSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)cc1 7254137 JDQMUNPAMDZLAI-UHFFFAOYSA-N 392.502 3.558 0 40 GHAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)c1ccccc1 7610233 BPWCBTSUQAFQOW-UHFFFAOYSA-N 397.500 3.881 0 40 GHAB NC(=O)COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1 104386235 VWMGYIZBEDYMEB-UHFFFAOYSA-N 383.473 3.587 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(Cl)cc2)n1 8476807 FHEUTPWULKRZAP-UHFFFAOYSA-N 384.867 3.662 0 40 GHAB CCc1cccc(N2C[C@H](C(=O)N3CCc4[nH]c5ccccc5c4C3)CC2=O)c1 24830286 JIIBOTCPKNHPJR-QGZVFWFLSA-N 387.483 3.668 0 40 GHAB CCCn1c(SCc2ccc(C(=O)OC)cc2)nc(C(F)(F)F)cc1=O 1403061 UNYBMUCLWKGEPZ-UHFFFAOYSA-N 386.395 3.751 0 40 GHAB COc1ccc(NC(=O)c2nn(CCC(C)C)c(=O)c3ccccc23)c(OC)c1 9365303 LMZCRWJVTYRZKP-UHFFFAOYSA-N 395.459 3.712 0 40 GHAB CCc1cc(=O)n(CC(=O)N(C)c2cccc(Cl)c2)c(-c2ccccc2)n1 57527379 HSSLPZCGPYWJNE-UHFFFAOYSA-N 381.863 3.789 0 40 GHAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)N1CCc2ccccc21 3263714 JQTRYXPWPWOWFG-CMDGGOBGSA-N 375.346 3.851 0 40 GHAB Cc1sc2nc(SCC(=O)Nc3ccncc3)n(C(C)C)c(=O)c2c1C 72278367 VEOUUAGTICHDRW-UHFFFAOYSA-N 388.518 3.782 0 40 GHAB CCCC(=O)Nc1cccc(CNC(=O)[C@H](c2ccccc2)N2CCCC2)c1 57912784 UNYHXFTVPSPVKA-QFIPXVFZSA-N 379.504 3.879 0 40 GHAB CC(=O)N[C@H](CC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1cccs1 27379746 OJNYTXTVBDHBAF-DOTOQJQBSA-N 397.500 3.863 0 40 GHAB CSc1ccc([C@@H]2[C@@H]3C(=O)N(CC(C)C)C(=O)[C@H]3ON2c2ccccc2)cc1 101130005 LCXVJDNUTWFYDK-ZCNNSNEGSA-N 396.512 3.911 0 40 GHAB O=C(CSc1ccc2ccccc2c1)N1CCN(c2ccc(O)cc2)CC1 3236429 LLFHWIHAEIHHDA-UHFFFAOYSA-N 378.497 3.986 0 40 GHAB COc1cc(OC)c(OC)cc1CNc1nn2cc(C(C)(C)C)nc2s1 12629642 XNYGOSGFAHCUIN-UHFFFAOYSA-N 376.482 3.726 0 40 GHAB COCCCCN1C(=O)[C@@H](Oc2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 58202329 AQNINABNYSAJQJ-YADHBBJMSA-N 399.487 3.770 0 40 GHAB O=C(OCc1cc(-c2ccco2)on1)c1nn(-c2ccccc2)c2c1CCC2 12782081 UXSSXGGWMOYAKB-UHFFFAOYSA-N 375.384 3.966 0 40 GHAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)COc3cccc(F)c3)n2)C1 12780735 XIIWZYZDMHRBJK-KBPBESRZSA-N 377.485 3.778 0 40 GHAB CN(CC(=O)NC(C)(C)C)C(=O)c1oc2ccccc2c1COc1ccccc1 57820477 GRUNHWWVTZSYOV-UHFFFAOYSA-N 394.471 3.999 0 40 GHAB CC(C)(C)[C@@H]1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnnn32)C1 2281489 GPRVQOCEAVHPTR-CQSZACIVSA-N 393.516 3.700 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(-c2ccccc2)nn1-c1ccccc1 12795188 VXZXNFKFTIBMNW-UHFFFAOYSA-N 395.422 3.961 0 40 GHAB CCCN(CC1CC1)C(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 12779285 LUGWCJJMORWYHR-OAQYLSRUSA-N 390.483 3.543 0 40 GHAB CC[C@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 20483091 DYFBZPZEUVYVLD-KSSFIOAISA-N 394.924 3.762 0 40 GHAB O=C(Nc1nc(CC(=O)N2CC[C@H]3CCCC[C@H]3C2)cs1)c1ccccc1 29122405 RBRJBOKYJRDQDD-WBVHZDCISA-N 383.517 3.977 0 40 GHAB CCc1ccccc1NC(=O)CNC(=O)c1cc2c(C)nn(CC(C)C)c2s1 12861262 FBBPSQFQVNRVLR-UHFFFAOYSA-N 398.532 3.993 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(C(F)(F)F)n1C 3414044 MWSFXRVVSIIGJP-ZETCQYMHSA-N 394.806 3.615 0 40 GHAB Cc1cccnc1NC(=O)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 23142914 XNXHTERFFAZHTB-HNNXBMFYSA-N 379.489 3.764 0 40 GHAB C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc2c(c1)OCO2 3476433 MTXAZEOWATVBGT-GFCCVEGCSA-N 387.457 3.930 0 40 GHAB Cc1cc(=O)c(C(=O)N2CCc3ccccc32)nn1-c1ccccc1C(F)(F)F 12918435 ASKVSRLWFNSRKV-UHFFFAOYSA-N 399.372 3.763 0 40 GHAB CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc1 4017185 IQVYDMBOVNTBRQ-FQEVSTJZSA-N 380.444 3.847 0 40 GHAB C[C@@H](OC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1)C(N)=O 6007101 ZCSJPWKXKQCSJA-CYBMUJFWSA-N 382.441 3.562 0 40 GHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 5171057 KUYZQMVIEZOVHP-LBPRGKRZSA-N 387.892 3.716 0 40 GHAB COc1ccccc1N(Cc1c(C)noc1C)S(=O)(=O)c1cccs1 6220006 DIQYFWBQJBDBTR-UHFFFAOYSA-N 378.475 3.757 0 40 GHAB CCC(=O)Nc1nnc(S[C@H](C(=O)NC2CCCC2)c2ccccc2)s1 13945446 CACJOXSWMNONGW-HNNXBMFYSA-N 390.534 3.779 0 40 GHAB Cc1sc2nc([C@H](C)Sc3nnc(-c4ccco4)n3C)[nH]c(=O)c2c1C 4485599 VLDZJUKDECHBTA-JTQLQIEISA-N 387.490 3.843 0 40 GHAB O=C(c1cn[nH]c1-c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 14212304 KDJCLXMCKSDVAR-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB CCOc1ccc(-c2nc(CSc3nc4ncccn4n3)cs2)cc1OC 14707903 WVKYECNIAYQHGB-UHFFFAOYSA-N 399.501 3.947 0 40 GHAB Cn1nc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c2ccccc2c1=O 5695598 DYTOAQVHXPWDIQ-UHFFFAOYSA-N 395.422 3.729 0 40 GHAB COc1ccc2occ(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)c2c1 6746669 GVPZIMVNEWGKBZ-UHFFFAOYSA-N 384.457 3.662 0 40 GHAB CCCCNC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)n1N 6789544 FGTSAAUMNAFADD-UHFFFAOYSA-N 395.941 3.535 0 40 GHAB Cc1cnc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cn1 14816911 OKIKXMQMGZGJPQ-UHFFFAOYSA-N 375.251 3.923 0 40 GHAB COc1cc2c(cc1OC)CN([C@H](C)C(=O)Nc1ccc(F)c(F)c1F)CC2 6839725 RPEWTVVLNVHHOT-LLVKDONJSA-N 394.393 3.506 0 40 GHAB CCOc1ccc(C(=O)OCc2cc(Cl)cc3c2OCOC3)cc1OC 5838463 OIUKMGHCJHEFKE-UHFFFAOYSA-N 378.808 3.971 0 40 GHAB Cc1nnc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)o1 6994753 MEMUUFBVYTZTAQ-UHFFFAOYSA-N 376.873 3.505 0 40 GHAB Cc1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)o1 5937612 ZWFIADOUSDDEMB-SFHVURJKSA-N 382.485 3.649 0 40 GHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C)s2)sc(C)c1C 5975115 HFIKOJMBTLFZOF-UHFFFAOYSA-N 381.475 3.707 0 40 GHAB Nc1nc(N2CCC(Cc3ccccc3)CC2)ncc1C(=O)Nc1ccccc1 67336565 NHBCZTPJPCUNGA-UHFFFAOYSA-N 387.487 3.770 0 40 GHAB CCc1cccc(C)c1NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 15543968 XUBRCVHONBKIKR-UHFFFAOYSA-N 385.552 3.611 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CCC(=O)c3ccc(C)s3)CC2)cc1 7284843 HDJXTVQXSBSCAI-UHFFFAOYSA-N 384.501 3.571 0 40 GHAB Cc1ccc(Nc2nc(N)nc(COC(=O)[C@@H](C)Sc3ccccc3)n2)cc1 7207774 PXVXFKRVBXKIDC-CQSZACIVSA-N 395.488 3.730 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1 7323462 AGIXNVFWMKBDJA-UHFFFAOYSA-N 381.453 3.865 0 40 GHAB Cc1cc(C)cc(N(CCC(N)=O)S(=O)(=O)c2ccc3ccccc3c2)c1 7782901 WHORDNVMNLIDLY-UHFFFAOYSA-N 382.485 3.527 0 40 GHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)Nc1ccccc1N1CCCC1=O 16105925 PCJGPTLOIHCJOD-BQYQJAHWSA-N 398.846 3.890 0 40 GHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)cc2)cc1 16161533 ODWMORBZIVRASZ-UHFFFAOYSA-N 396.560 3.518 0 40 GHAB O=C(NCc1ccccc1)C1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1 16102786 WUAOEIDFOZKXKH-UHFFFAOYSA-N 392.286 3.557 0 40 GHAB CC(=O)NCc1ccc(C(=O)COC(=O)c2cc(Cl)sc2Cl)s1 24851113 MLYINUMOZAUWGN-UHFFFAOYSA-N 392.285 3.792 0 40 GHAB Cc1noc(CN2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 71889284 LKHWEHNSUSDNEN-FQEVSTJZSA-N 382.508 3.675 0 40 GHAB O=c1[nH]c(SCc2nc(-c3cccnc3)no2)nc2sc3c(c12)CCCC3 8748387 GNPBLMXQXGNHFO-UHFFFAOYSA-N 397.485 3.601 0 40 GHAB O=c1[nH]nc(SCc2csc(COc3ccc(Cl)cc3)n2)n1C1CC1 8762409 JZUKOBIZTLJPPC-UHFFFAOYSA-N 394.909 3.888 0 40 GHAB O=Cc1c(OCC(=O)NCCc2cccc3cccnc23)ccc2ccccc12 84595039 FUCYENCYDVABSG-UHFFFAOYSA-N 384.435 3.938 0 40 GHAB CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)N4CCCCC4)ccn3n2)cc1 67262318 DFIBMTPCVHXHRL-UHFFFAOYSA-N 392.503 3.689 0 40 GHAB C[C@@H]1CCC[C@@H](C)C12NC(=O)N(Cc1cccc(OCC(F)(F)F)c1)C2=O 95365066 IRJKWOBERMYXLW-CHWSQXEVSA-N 384.398 3.874 0 40 GHAB O[C@@H](CSc1nnc(N2CCCC2)s1)c1cccc(Br)c1 95954606 BVFWUOVJHRHMJP-LBPRGKRZSA-N 386.340 3.727 0 40 GHAB COC(=O)[C@H]1CCCC[C@H]1NCc1c(C)nn(Cc2ccccc2)c1Cl 95941291 XRJGTKLOPJECAS-FUHWJXTLSA-N 375.900 3.715 0 40 GHAB Fc1ccc(Oc2ccnc(N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)n2)cc1 95980026 RSEDRFBSXUBKCX-AWEZNQCLSA-N 380.427 3.788 0 40 GHAB COc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccoc5)CCO4)nnn3c2)cc1 306125595 CVDBWDCLTSSRCD-NRFANRHFSA-N 390.443 3.571 0 40 GHAB CN(CCCn1ccnc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 89346135 BRSVCDPPQSIGOW-UHFFFAOYSA-N 392.385 3.642 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2cnc3[nH]nc(C)c3c2)c1 89568215 USHOJUVFMPPBND-KRWDZBQOSA-N 381.436 3.653 0 40 GHAB CC[C@H]1CN(c2nccc3c(Br)cccc23)CCN1CCOC 89949230 ZIRRXNQSMBYJIJ-AWEZNQCLSA-N 378.314 3.544 0 40 GHAB CC(C)COc1ccccc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 408600051 SFOSRYOTCZWGED-CXUHLZMHSA-N 377.462 3.709 0 40 GHAB Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4sccc4C)C[C@@H]32)cs1 306137339 QTQIYUJCZZTEEP-MSOLQXFVSA-N 398.557 3.704 0 40 GHAB O=C1C[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N2N=CNC2=N1 38180717 MJNMNHHPJKJSRM-INIZCTEOSA-N 389.242 3.748 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(SC)c2)ccc1OC 408587356 UEDXPMOFBJEHGN-UHFFFAOYSA-N 396.490 3.786 0 40 GHAB CCCNC(=O)c1ccc(NC(=O)N[C@H](C)[C@H](OC)c2ccc(OC)cc2)cc1 536815370 KSJNICJTLHZWRQ-QRWLVFNGSA-N 399.491 3.733 0 40 GHAB COc1cc(NC(=O)Nc2cccc(OC)c2OC)ccc1N1CCCCC1=O 38489793 NCYYYPDGNORIDD-UHFFFAOYSA-N 399.447 3.873 0 40 GHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCCCCC1)[C@]1(C2)NC(=O)c2ccccc2N1 72326495 MBKJQAGOJLTKNZ-GFHCSAFJSA-N 381.520 3.767 0 40 GHAB O=C(N=c1cc(-c2cc(F)cc(F)c2)[nH][nH]1)c1cnc2c(F)ccc(F)c2c1 551823071 AWOGMFGIBFFROB-UHFFFAOYSA-N 386.308 3.856 0 40 GHAB O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccccc1F)CC2)c1ccco1 70638588 KPXPASCLZZOOSB-UHFFFAOYSA-N 386.408 3.718 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 31103304 VOTSRUVSAANMIO-MRXNPFEDSA-N 383.492 3.818 0 40 GHAB CC(=O)Nc1ccc(NCc2cc(-c3ccc(F)cc3)cn3nnnc23)cc1 72392338 HYPRXEPISSVNPU-UHFFFAOYSA-N 376.395 3.501 0 40 GHAB CN1CCN(c2ccc([C@@H]3CCCCN3C(=O)OCc3ccccc3)cn2)CC1 72216552 SIMJYTHVZIAWTF-NRFANRHFSA-N 394.519 3.697 0 40 GHAB COC(=O)c1cc(NC(=S)Nc2cccc(SC)c2)cc(C(=O)OC)c1 71761328 WHBITGXTKPJAEQ-UHFFFAOYSA-N 390.486 3.791 0 40 GHAB N[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Br)cc1 72227512 XLAHFWOGFNHAKF-ZIAGYGMSSA-N 385.183 3.883 0 40 GHAB CC(C)n1cc(C(=O)NCCCc2nc3ccccc3[nH]2)c2ccccc2c1=O 79481470 HZGNIYAJBAMTIZ-UHFFFAOYSA-N 388.471 3.821 0 40 GHAB CCc1cccc(CC)c1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 40640002 CCGJKLOMVPPGIB-UHFFFAOYSA-N 386.517 3.994 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)c1nnn(-c2ccc(F)cc2)c1-c1cccnc1 49003583 ZKJLONIWIXCGRP-UHFFFAOYSA-N 395.344 3.999 0 40 GHAB Cc1cccc(-c2nnc3sc(NC(=O)COc4ccc(C)cc4C)nn23)c1 41076443 WELGEOBMODOXMU-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB COCCN(Cc1cccn1C(C)C)C(=O)c1ccc2nc(Cl)n(C)c2c1 222559949 WKXTWGIQPQHUBO-UHFFFAOYSA-N 388.899 3.898 0 40 GHAB COc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](C)C(=O)NC(C)C)c1 225662801 VVYIAPAFDRNNSR-LJQANCHMSA-N 396.531 3.796 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NC(C)C)c2)cc1 224338014 RVCFBMPIHMPEFW-UHFFFAOYSA-N 380.897 3.612 0 40 GHAB CC(C)(C)c1ccc(C(=O)N2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)cc1 40386141 CMHFADQFBFOQGE-LJQANCHMSA-N 376.456 3.776 0 40 GHAB Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCc4ccco4)C3)nn2)cc1C 48990698 HPFMJZHIIYZNHR-IBGZPJMESA-N 390.487 3.886 0 40 GHAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 223915514 LFACWRWFGFJPTI-VQTJNVASSA-N 377.517 3.663 0 40 GHAB CC[C@H]1C[C@H](NC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)CCO1 572508287 CVSJGYZYYFPWHR-CVEARBPZSA-N 375.444 3.814 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 225008913 OGCRIBNDHQVOQJ-OALUTQOASA-N 382.504 3.706 0 40 GHAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 43851235 PQAMYCUXYHVCKS-JTQLQIEISA-N 377.347 3.849 0 40 GHAB Cc1nnsc1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 42380188 QFJYQJRPQHMOGL-NSHDSACASA-N 389.481 3.524 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220470422 FNPPIYMPRBKUKK-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2ccc(C)cc2)cc1C(C)C 224311270 PDTNRPLCSVUWRW-UHFFFAOYSA-N 377.506 3.793 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 224041310 QSZIGLAWUWHDNQ-QZTJIDSGSA-N 382.570 3.791 0 40 GHAB COc1cc(CNC(=S)Nc2ccc3c(c2)OCCO3)ccc1OC(C)C 225531266 JIYKYGHLQRMCRE-UHFFFAOYSA-N 388.489 3.740 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222633344 OZBQZZLTRQGJMX-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB COC(=O)c1ccc(C)c(NC(=S)NCc2ccccc2-n2ccnc2C)c1 225449938 HDARCNBRBJITEE-UHFFFAOYSA-N 394.500 3.762 0 40 GHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 222890737 QQOKIWLZUJNWJT-WOJBJXKFSA-N 377.517 3.709 0 40 GHAB O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2c(ccc3nn(-c4ccccc4)nc23)N1 96117451 QAUXDYLAKNSRJP-INIZCTEOSA-N 384.395 3.593 0 40 GHAB C[C@H](c1cccnc1)N(Cc1ccc(-n2ccnc2)nc1)CC1CCOCC1 585084644 APNWLRLQXTXMNU-GOSISDBHSA-N 377.492 3.652 0 40 GHAB COc1ccccc1CC(=O)NC[C@H]1CC[C@H](c2ccnc3cc(C)nn32)CC1 257311806 ULCCQDBABMKOJL-IYARVYRRSA-N 392.503 3.679 0 40 GHAB O=C(CN1CCCCC1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257307227 SXSPAAPTXFYHKE-GOSISDBHSA-N 385.483 3.596 0 40 GHAB COCCNC(=O)c1cc2c(c(OC)c1)O[C@](C)(Cc1ccc(Cl)cc1)C2 257245726 IQVXINNEIDFTAJ-OAQYLSRUSA-N 389.879 3.661 0 40 GHAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C(=O)C2(C)CCN(C)CC2)nc1 257277698 NZAZQGROKLPRFA-IBGZPJMESA-N 382.508 3.749 0 40 GHAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(-c2ncco2)c1C 615167611 IHHHVOFSQVOJHC-SJLPKXTDSA-N 380.448 3.973 0 40 GHAB O=C(Cc1ccccc1)Nc1cc(NC2CCN([C@H]3CCOC3)CC2)ccc1F 656255020 GKGXRSIEBDMHTN-FQEVSTJZSA-N 397.494 3.672 0 40 GHAB Cc1cccc(NC(=O)Nc2cc(-c3ccncc3)[nH]n2)c1C(=O)N1CCCC1 1198196177 PJIPNOCPNANRDY-UHFFFAOYSA-N 390.447 3.660 0 40 GHAB CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CC(F)C1)C2 585106596 CLGCRNBISGMYLG-QPFKGPCDSA-N 396.510 3.914 0 40 GHAB COc1c(C)cccc1CN1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615118770 DLWNIRBAOKCTNX-DEOSSOPVSA-N 394.515 3.792 0 40 GHAB Cn1c(CNC(=O)Cc2ccc(Cl)cc2)nnc1SCc1ccccc1 5001703 SOHSNMQVAJGNCI-UHFFFAOYSA-N 386.908 3.620 0 40 GHAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc4c(c3)OCCO4)nnc12 5060019 LTYKBTICHGLVIU-YEJXKQKISA-N 397.500 3.793 0 40 GHAB COc1ccc2c(COC(=O)COc3ccc(Cl)cc3C)cc(=O)oc2c1 5703653 VMRDXVPOAOIISF-UHFFFAOYSA-N 388.803 3.886 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 11582551 PEJXTLNZRZRCNI-FSSWDIPSSA-N 384.435 3.733 0 40 GHAB O=C(N1CCC(n2c(=O)oc3cccnc32)CC1)C1(c2ccc(Cl)cc2)CC1 12144212 UTPWBRLEQRXDSP-UHFFFAOYSA-N 397.862 3.538 0 40 GHAB CC[C@H](C(=O)N1CCC(O)(c2cccc(C)c2)CC1)n1cnc2ccccc21 12148705 OKPNZZGMKJNKDS-HXUWFJFHSA-N 377.488 3.806 0 40 GHAB COc1ccccc1-c1cc(C(=O)N[C@H](c2ccccc2)c2ccnn2C)no1 12194095 WDCKYZWNAHBJSD-OAQYLSRUSA-N 388.427 3.603 0 40 GHAB CCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)cc1 13581366 USHJJIIGYGCUFR-UHFFFAOYSA-N 390.505 3.540 0 40 GHAB O=C(CN1C(=O)C(=O)c2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl 14137281 DJDNJJODWWVGBS-UHFFFAOYSA-N 382.725 3.527 0 40 GHAB COc1ccccc1[C@H](OC(=O)c1ccco1)C(=O)NCc1ccc(F)cc1 15935973 DGGQSTVWMWZKDR-IBGZPJMESA-N 383.375 3.642 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cc2NC1=O 18047636 WXVHCTUONINNPE-KGLIPLIRSA-N 392.484 3.796 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)C[C@H]2C=CCC2)CC1 19288903 YAPFCYBGHRXHTD-KRWDZBQOSA-N 396.510 3.663 0 40 GHAB COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 6319901 POTLGPFSMSPPSA-SFQUDFHCSA-N 398.509 3.945 0 40 GHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C#N)cc3)C2=O)c1C 6479079 UUKLEPNWWDOXCL-VCHYOVAHSA-N 391.452 3.850 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1CC[C@H](OC)CC1 100725767 DIFKRUFSSXVMIS-HQRMLTQVSA-N 397.519 3.639 0 40 GHAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)NCC3CC3)ccc21 643584120 UFJPEKGEESSWNE-UHFFFAOYSA-N 385.552 3.869 0 40 GHAB Cc1cc(-c2cnc(NCCn3nc(C)cc3C)nc2-c2ccoc2C)on1 12251506 YCBNNWRRODHNCR-UHFFFAOYSA-N 378.436 3.934 0 40 GHAB O=C(CC1CCCCC1)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 13267945 RGWHBRZMWTYJSR-UHFFFAOYSA-N 380.492 3.921 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4ccc(C)cc4)C[C@H]23)cc1 19210328 LJFKYRXDKRSGDQ-WXFUMESZSA-N 378.516 3.840 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4ccncc4)C3)cc2N1 19574623 GNURNVLGQVZIDR-XNRPHZJLSA-N 393.413 3.605 0 40 GHAB C[C@@]1(Cc2ccccc2F)Cc2cc(C(=O)N3CCC(CO)CC3)ccc2O1 2037875642 YTVPKILZZTVULC-HSZRJFAPSA-N 383.463 3.607 0 40 GHAB Cc1cccc(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)c1C 2974515 QFZSKWFNUSNJPA-DEOSSOPVSA-N 393.507 3.725 0 40 GHAB O=C(NCc1nnc(S)n1-c1cccc(Cl)c1)c1c(F)cccc1Cl 4059233 DZIIORUKYOXUQG-UHFFFAOYSA-N 397.262 3.932 0 40 GHAB COc1cc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)nc(C)n1 12226083 WDCJEVJKSUVURC-UHFFFAOYSA-N 384.461 3.646 0 40 GHAB COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3cccc(F)c3)C2=O)cc1 21147579 OLMLJDAMCMAWGS-UHFFFAOYSA-N 380.419 3.966 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccnnc2)n2c(nc3ccccc32)N1 20568959 VYXXAGGLPQYRHD-HXUWFJFHSA-N 382.427 3.754 0 40 GHAB CCc1nc(C)c2c(C)c(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)sc2n1 30030727 HSGNBSUCPMOGFD-QGZVFWFLSA-N 394.544 3.999 0 40 GHAB Cc1cc(C)n2ncc(C(=O)NCc3cccnc3Oc3cccc(F)c3)c2n1 40094392 MTMYTINSKZFURB-UHFFFAOYSA-N 391.406 3.603 0 40 GHAB C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C(=O)c1ccc2c(c1)NC(=O)CO2 50018451 YUVZEWPXPKQDLE-IUIKQTSFSA-N 399.830 3.589 0 40 GHAB CCOC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 30583009 UWFPLRIOYRBJOR-UHFFFAOYSA-N 382.460 3.871 0 40 GHAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1c(-c2ccccc2)[nH]c2ccccc12 100951000 KSRACDFKTYPFNS-IRXDYDNUSA-N 384.435 3.969 0 40 GHAB C[C@@H]1C(=O)N(CC(=O)NCCC2=CCCCC2)C(=O)N1c1ccc(Cl)cc1 20672456 GXPJJWGQQDNQRZ-CQSZACIVSA-N 389.883 3.504 0 40 GHAB CSc1nc2ccc(NC(=O)CN3C(=O)CCOc4ccccc43)cc2s1 21199159 RQTRJEYFGZBFQW-UHFFFAOYSA-N 399.497 3.772 0 40 GHAB C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1cccs1 32794771 VTFMLXAOAQIMOB-NEPJUHHUSA-N 393.306 3.741 0 40 GHAB Cc1ccc2nc(NC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)sc2c1 32855812 UBUSVNZQRGIRCE-UHFFFAOYSA-N 392.484 3.960 0 40 GHAB COCCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccc(F)cc1 21782943 UGEKVUDCOUHGCZ-NRFANRHFSA-N 395.434 3.730 0 40 GHAB Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1 102617825 BLICVOYKBNDTER-FVCZOJIISA-N 375.424 3.750 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)cc1OC 643551 WXNCCNRZIJDALZ-ONNFQVAWSA-N 388.423 3.982 0 40 GHAB CC(=O)N(C)c1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1 674651 PXXJDEFVPKGCJZ-UHFFFAOYSA-N 391.265 3.758 0 40 GHAB Cc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)ccc3[nH]c2=O)c(C)c1 884983 SZGCJFJMJZFHSR-UHFFFAOYSA-N 395.528 3.645 0 40 GHAB Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCCC3)c(=O)[nH]c12 889294 QQTCQHZPVPLCIN-HXUWFJFHSA-N 392.507 3.513 0 40 GHAB CC(C)NC(=O)c1cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2oc1=O 941566 JWPZJLFYJZIFCH-UHFFFAOYSA-N 385.803 3.804 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4ccccc4)o3)n2)cc1 1426282 CBIDQYFCMLLACK-UHFFFAOYSA-N 391.460 3.848 0 40 GHAB Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccncc1 2379359 PQZRKIICTALCFM-UHFFFAOYSA-N 394.287 3.915 0 40 GHAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCO2 3409373 RMRZNKMVKAPGDG-QHHAFSJGSA-N 394.210 3.917 0 40 GHAB Cn1c(S[C@H]2CC(=O)N(c3ccccc3)C2=O)nnc1-c1ccc(Cl)cc1 4546044 ULXFPOPKYMQIMM-HNNXBMFYSA-N 398.875 3.560 0 40 GHAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1OC 4731447 BNLHOKZNZSOFJM-LJQANCHMSA-N 379.416 3.515 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2N)c1 4855057 RQACSVYXUCOEGA-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 4965363 ILNPPEBYSRMAMG-XSGZLULTSA-N 388.460 3.976 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccccc1F 4985212 KJXCFFHHEKPXPP-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB COc1ccc(/C=C/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 5007719 JRFCNZAESMAAHT-CSNJMMPQSA-N 375.446 3.629 0 40 GHAB CCCCOc1ccc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1 5075896 HTWWOBNYIMRJQP-UHFFFAOYSA-N 388.489 3.658 0 40 GHAB COc1ccc(C2=Nn3c(nnc3-c3cccc(Cl)c3)SC2)cc1OC 5119579 ITSPSQQQZCNERY-UHFFFAOYSA-N 386.864 3.974 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1cc(C)ccc1C 5255064 XESQHEUYRLXOCL-UHFFFAOYSA-N 378.428 3.605 0 40 GHAB CCOc1ccccc1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 5439686 HQPQTZWGHQTMPC-UHFFFAOYSA-N 388.489 3.576 0 40 GHAB CSCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1nnc2ccccn12 5452118 JCASVMVMTHVTKS-SFHVURJKSA-N 393.516 3.754 0 40 GHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)C1 5747838 QNYPKLHWRGHWPL-IAGOWNOFSA-N 386.517 3.630 0 40 GHAB O=C(COC(=O)c1ccccc1OCCOc1ccccc1)NC1CCCCC1 5787361 GZGBCFXPUQKJMH-UHFFFAOYSA-N 397.471 3.750 0 40 GHAB Cc1sc2nc([C@H](C)Sc3nnc4n3CCCCC4)[nH]c(=O)c2c1C 6098057 VDSFDIIBMBPEPT-NSHDSACASA-N 375.523 3.773 0 40 GHAB COc1cc(Cl)ccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccs1 6529675 WFFUZQJUSYZUPH-HNNXBMFYSA-N 393.921 3.842 0 40 GHAB O=c1c2nccnc2nc(SCc2cccc(F)c2)n1Cc1ccc(F)cc1 6818667 OZHUCAXLYQJTDF-UHFFFAOYSA-N 396.422 3.805 0 40 GHAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc3nsnc3c2)cc1 7388657 SJCQGRFNFJVAKT-UHFFFAOYSA-N 385.518 3.664 0 40 GHAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(C2CCCCC2)cc1 7423153 ATMBLTNLNROCCY-UHFFFAOYSA-N 383.477 3.511 0 40 GHAB CC(C)(C)C1CCC2(CC1)NC(N)=Nc1nc3cc4c(cc3n12)OCCCO4 7738381 VFYNLKPDDRKTJC-UHFFFAOYSA-N 383.496 3.636 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)NCc3ccccc3CN3CCCC3)cc2NC1=O 8076378 LGJVZGDUBWKPDH-HNNXBMFYSA-N 395.528 3.645 0 40 GHAB O=C(CSc1nnc(N2CCCCC2)n1C1CC1)NC1CCCCCC1 8735448 LUZSNTUBLOQCBM-UHFFFAOYSA-N 377.558 3.534 0 40 GHAB COc1ccc(-c2nn(Cc3ccccc3)c(=O)c3nc(C)sc23)cc1OC 8955670 YMEBXJLSGQUBGB-UHFFFAOYSA-N 393.468 3.894 0 40 GHAB Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@H]2c1ccccc1Cl 8993199 GNRTUVPLSUXAAA-LJQANCHMSA-N 391.862 3.596 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)C4CCCC4)cc3C2)cc1 9203500 TYRLOFVEZBIONF-UHFFFAOYSA-N 398.528 3.871 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 9602320 MDNVXISVYYYWFJ-QFIPXVFZSA-N 393.508 3.951 0 40 GHAB O=C1Cc2cc(C(=O)CSc3nnc(-c4cccs4)n3C3CC3)ccc2N1 10029202 HMSRWTJDAMIYBO-UHFFFAOYSA-N 396.497 3.811 0 40 GHAB C(=C/c1ccccc1)\CSc1nnc(N2CCOCC2)n1-c1ccccc1 10200366 YNNMYHXUMQHGBG-JXMROGBWSA-N 378.501 3.909 0 40 GHAB CC(C)C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 10489799 CMRQGHRWOKPBJA-GRDNDAEWSA-N 392.858 3.784 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@@H]1c1nc2ccccc2[nH]1 10629504 KKLOFYKWLQQZTM-OAHLLOKOSA-N 379.844 3.881 0 40 GHAB O=C(NCc1nc(-c2cccnc2)n[nH]1)[C@@H](c1ccccc1)C1CCCCC1 12114712 ZHRDRIHEJNLSKD-FQEVSTJZSA-N 375.476 3.847 0 40 GHAB CC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2cccc3cccnc23)C1 12157652 SHSIGWCZXIHBGH-UYAOXDASSA-N 380.517 3.781 0 40 GHAB COc1ccc([C@@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)Nc2nccs2)cc1 12159426 VBEZTGNCTUQCEX-ZWKOTPCHSA-N 399.516 3.523 0 40 GHAB CSc1nc2n(n1)[C@H](c1ccc(C)o1)C(C(=O)Nc1ccccc1)=C(C)N2 12289301 WHEKILLJAKULGH-MRXNPFEDSA-N 381.461 3.829 0 40 GHAB CCOC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc21 12397189 ACMDDFIMWRGJDV-UHFFFAOYSA-N 393.365 3.997 0 40 GHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)c(OC)c1 12416171 LYUGIZDLZODMML-CQSZACIVSA-N 379.416 3.583 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nncn1Cc1ccco1 12785932 FZAJPZGJXLSUOJ-LLVKDONJSA-N 392.868 3.701 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 12912605 OWIDKHDTAUMZJU-KRWDZBQOSA-N 379.865 3.556 0 40 GHAB Cc1ccc(-c2nc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cs2)cc1 12951131 YSLDJMBFVGPOGJ-UHFFFAOYSA-N 390.468 3.627 0 40 GHAB COc1ccc(C(=O)C2CCN(C(=S)NCCc3ccccc3)CC2)cc1 13556046 UZGNYNGSQCUKOF-UHFFFAOYSA-N 382.529 3.707 0 40 GHAB COC(=O)c1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cc(C)ccc2C)cc1 14000916 HVMXKCASBLGQBC-QGZVFWFLSA-N 375.428 3.750 0 40 GHAB CSc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1 14428293 PCEWEWAFPYHQOA-UHFFFAOYSA-N 390.530 3.754 0 40 GHAB CC(C)c1ccc([C@@H](C)NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 15565607 QTRQLESNTQTPNS-CQSZACIVSA-N 383.423 3.643 0 40 GHAB Cc1cccc(CSCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 16109033 HFGQJPUNKIAIJF-OAHLLOKOSA-N 377.531 3.509 0 40 GHAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2)c(C)n1CC(F)(F)F 16406166 NPLHRUVMSBRCHG-GFCCVEGCSA-N 386.345 3.990 0 40 GHAB CCCc1nn(CC(=O)Nc2ccccc2OCC)c(=S)n1-n1cccc1 16777278 ZRJWVMXQVBQRGO-UHFFFAOYSA-N 385.493 3.517 0 40 GHAB CCn1c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nnc1-c1ccccc1OC 18059586 HHCJQPJVAHNSAG-GASCZTMLSA-N 388.537 3.570 0 40 GHAB CCn1ncc(-c2csc(NC(=O)[C@@H]3CCCN(c4ccccn4)C3)n2)c1C 19524068 ZEMZTUKFMBJOKC-OAHLLOKOSA-N 396.520 3.585 0 40 GHAB Cc1cccc(OC2CCN(C(=O)c3ccccc3Cn3cccn3)CC2)c1 19665222 SQYXIIWAYPNCTG-UHFFFAOYSA-N 375.472 3.923 0 40 GHAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccccc1Br 19683091 QUSIQKQTEHAYJF-UHFFFAOYSA-N 375.266 3.534 0 40 GHAB Cc1nc([C@H]2CCCCN2C(=O)c2ccccn2)nc2c1CCCN2CC1CC1 19706769 BVGDLFWYVNKQQF-HXUWFJFHSA-N 391.519 3.710 0 40 GHAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cccnc1 20171529 GVXYGIDFWDSLHJ-DOTOQJQBSA-N 387.553 3.783 0 40 GHAB Cc1csc2nc(COc3ccccc3NC(=O)c3ccccc3)cc(=O)n12 21369002 BIJDPDCEGBDMLK-UHFFFAOYSA-N 391.452 3.896 0 40 GHAB CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccccc1OC 21596690 VIWILHQCFSKLKA-UHFFFAOYSA-N 380.444 3.598 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC[C@H](c2cccs2)N2CCOCC2)o1 22767347 FFICGMHTZDVYHL-VFYFQDIASA-N 386.517 3.667 0 40 GHAB CN1CCN(c2nc3ccc(NC(=O)/C=C/c4cccs4)cc3s2)CC1 23135836 RDMAZYVCASLDGZ-FNORWQNLSA-N 384.530 3.762 0 40 GHAB O=C(Cc1cc(O)nc(SCc2ccccc2)n1)N1CCc2ccccc2C1 23137983 NMHRHZJQFBOYGI-UHFFFAOYSA-N 391.496 3.602 0 40 GHAB COc1cc(CN(C)C(=O)c2cc3ccccc3oc2=O)ccc1OC(F)F 23498155 IRHFIOQIHXNMAK-UHFFFAOYSA-N 389.354 3.675 0 40 GHAB Cc1ccccc1N1CCN(C[C@H](O)COc2cccc3ccccc23)CC1 25227051 VSTKDCGAQXBUQL-NRFANRHFSA-N 376.500 3.710 0 40 GHAB Cc1ccc(CCC2CCN(CC(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 29168257 IMQOASBABROSIL-UHFFFAOYSA-N 391.515 3.625 0 40 GHAB O=C(/C=C/c1cccs1)N1CCN(Cc2csc(-c3ccco3)n2)CC1 29854723 HSAQUQYOJBGECK-AATRIKPKSA-N 385.514 3.822 0 40 GHAB CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(C(=O)OC)s1)CC2 31582732 BIFGIGXLFJTZOO-UHFFFAOYSA-N 389.473 3.531 0 40 GHAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccc(Br)cc3)cnc21 32097940 IVQWYCPDGLZNLO-UHFFFAOYSA-N 395.282 3.576 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1C 32525818 VKRSZIKMJPZFFI-UHFFFAOYSA-N 378.476 3.909 0 40 GHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 32721710 ZJONCOANYSIQAP-UHFFFAOYSA-N 375.215 3.605 0 40 GHAB C[C@@H](NC(=O)[C@H]1CCCN(c2cnccn2)C1)c1ccc(Cl)cc1Cl 32777431 VZCARCFKCDHGKV-OLZOCXBDSA-N 379.291 3.877 0 40 GHAB Cc1cc(NC(=O)[C@H]2Cc3ccccc3O2)n(-c2cccc(Br)c2)n1 32832118 ZQRKFRPWVXTQFN-QGZVFWFLSA-N 398.260 3.885 0 40 GHAB Cc1cc2nnc(S[C@H](C(=O)N[C@H](C)c3ccccc3)C(C)C)n2c(C)n1 33030495 DKFAKUDBCRDHGV-KDOFPFPSSA-N 383.521 3.735 0 40 GHAB Cc1ccc(-c2noc(CCNC(=O)c3ccccc3Br)n2)cc1 35672901 ZWKVGEZOZBXVFG-UHFFFAOYSA-N 386.249 3.780 0 40 GHAB CCCC[C@@H](CC)CNC(=O)c1cc(-n2cnnc2)ccc1Br 35684173 WPPOWMLLEUUMLB-CYBMUJFWSA-N 379.302 3.976 0 40 GHAB COc1ccc(CCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1OC 38849001 QTFWAEWAQQHWIP-GOSISDBHSA-N 396.531 3.908 0 40 GHAB COc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1OC 40140206 VMAMWNYCQBSDSZ-UHFFFAOYSA-N 399.397 3.909 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C)cc1 40484588 HIUWQVKMBQJKBS-FQEVSTJZSA-N 389.459 3.913 0 40 GHAB Cc1ccc(Cl)cc1N(CCCC(=O)N(C)C1CCCC1)S(C)(=O)=O 44842117 RPJLDWLEPKDGRX-UHFFFAOYSA-N 386.945 3.596 0 40 GHAB CC(=O)Nc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1F 52960716 YFHQYSHGPWNEDP-SFHVURJKSA-N 384.407 3.533 0 40 GHAB Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c(OC[C@H]2CCCO2)c1 55654081 WLRWILNILKBRTE-OAHLLOKOSA-N 379.412 3.912 0 40 GHAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)NCCc2ccccc2)c(=O)c1C 57527909 UZSYHQQRLSFEIN-UHFFFAOYSA-N 395.890 3.539 0 40 GHAB CCCCOc1ccc(NC(=O)CN2CCN(c3ccccc3OC)CC2)cc1 57711744 QENULRRWVIKHNH-UHFFFAOYSA-N 397.519 3.635 0 40 GHAB CCC(=O)N(c1nnc(Sc2c(C)c3ccccc3[nH]c2=O)s1)C1CC1 57964113 OFAIADLAXAAHOB-UHFFFAOYSA-N 386.502 3.745 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(N)nc(Cl)c2)C1 58153668 VCOFRQVPXMBQMH-CHWSQXEVSA-N 386.883 3.688 0 40 GHAB O=C(Nc1ccnc(Sc2ccccn2)c1)[C@H]1CC(c2ccccc2)=NO1 60340590 FICGAJLKVOKSCR-QGZVFWFLSA-N 376.441 3.760 0 40 GHAB O=C(NCc1ccccc1N1CCOCC1)N1CC=C(c2ccccc2)CC1 62563015 QYNFHQPNWGRXCC-UHFFFAOYSA-N 377.488 3.522 0 40 GHAB Cc1noc([C@@H](C)NC(=O)COc2ccc3cc(Br)ccc3c2)n1 64346884 YWBBBEHMNURJOS-SNVBAGLBSA-N 390.237 3.550 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)N2CCC[C@@H](C)C2)cc1 67245615 ARPOLUSYCBDJGU-OAHLLOKOSA-N 392.546 3.754 0 40 GHAB CCN(C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1cccnc1 68304122 OMXMNPPRFCJUDN-UHFFFAOYSA-N 396.497 3.635 0 40 GHAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cc2c(s1)-c1ccccc1CC2 71846695 MFWDBMCQESMQCZ-CQSZACIVSA-N 380.435 3.880 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1cccnc1 72191588 LVJKUJWFODKNRT-UHFFFAOYSA-N 377.429 3.653 0 40 GHAB CCOC(=O)/C(=C/c1cccs1)c1nc(-c2ccc(OC)c(OC)c2)no1 72312330 PCBNACRMLDFMCV-SDNWHVSQSA-N 386.429 3.919 0 40 GHAB C[C@H]1C[C@H]1C(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(N)=O)CC1 72345083 MPDPUJKPAJEHHT-MAUKXSAKSA-N 382.529 3.708 0 40 GHAB CCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 72403023 JNQRUWGWPSCABU-HXUWFJFHSA-N 386.536 3.882 0 40 GHAB Cc1c(C(=O)N(C)CC(=O)NCC(F)(F)F)oc2c1ccc1ccccc12 84068080 KNPDIOGOZZYOMQ-UHFFFAOYSA-N 378.350 3.645 0 40 GHAB Cc1ccc(-c2ccc(=O)n(C[C@H](O)c3ccc(OC(F)F)cc3)n2)s1 84205754 HPVGMIRKNCIMGS-HNNXBMFYSA-N 378.400 3.615 0 40 GHAB C[C@@H](c1cccc(F)c1)N1CCN(C(=O)C[C@H]2CCOc3ccccc32)CC1 95406664 OWEMCGSLUNAGMO-PKOBYXMFSA-N 382.479 3.987 0 40 GHAB CC(C)(C)C[C@@H](NC(=O)CNC(=O)c1cc2c(s1)CCCC2)C(F)(F)F 95465751 BGIVVJIDRXWMKI-CQSZACIVSA-N 390.471 3.840 0 40 GHAB CC(C)c1sc(Br)nc1C(=O)NCc1ccc2c(c1)OCO2 95479622 MQERFVUJRUHWKE-UHFFFAOYSA-N 383.267 3.688 0 40 GHAB Cc1nc2c(cc1Br)cc(Cl)n2S(=O)(=O)c1ccccc1 95920025 ZMCXAUOZZHTHTQ-UHFFFAOYSA-N 385.670 3.998 0 40 GHAB O=C(C[C@@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21)NC1CCC1 96052769 BKSZODDAVWWIFQ-QGZVFWFLSA-N 376.504 3.561 0 40 GHAB CC[C@@](Br)([C@@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96521479 ZYXXBBAUPFPORE-IRXDYDNUSA-N 383.307 3.933 0 40 GHAB O=C(c1ccc(F)c(Cl)c1)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211686 AYKQQKRIXGSTDN-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB COc1ccc(CCC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1 100750341 VGYUHDNCHVUIEE-YYDVJCTNSA-N 381.520 3.645 0 40 GHAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107157187 UDFXPFALALUPSA-NHCUHLMSSA-N 395.890 3.547 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113950428 NTCUPOQSPGPBII-JOCHJYFZSA-N 381.520 3.851 0 40 GHAB CN(Cc1nc(-c2cccs2)no1)C(=O)C1(c2ccccc2)CCOCC1 223153375 NYNFRCYZWZXRJL-UHFFFAOYSA-N 383.473 3.505 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccco2)c1 224077250 JVSXKWOLYIDLHY-UHFFFAOYSA-N 384.457 3.661 0 40 GHAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1F 224428154 WBCBGLXEANGOGJ-PMACEKPBSA-N 396.491 3.846 0 40 GHAB CCN1CCN(C(=O)c2ccccc2-c2ncc(-c3cccc(OC)c3)o2)CC1 224903941 ODEYRJQOJFQXFI-UHFFFAOYSA-N 391.471 3.795 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 225209012 IUOJAEVGVUOQAP-IAGOWNOFSA-N 386.467 3.537 0 40 GHAB C[C@]12CCCN(C(=O)c3ccnc(Cc4cccc(F)c4)c3)[C@H]1CCCCN2 257239226 HOMJAHGTWNCPTL-GMAHTHKFSA-N 381.495 3.948 0 40 GHAB Oc1cccc2c1OC1(CCN(Cc3ncccc3F)CC1)[C@H]1CCCO[C@H]21 257269059 MOKHDVOLQACVRD-OXJNMPFZSA-N 384.451 3.821 0 40 GHAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC3CC3)ccc2Cl)c1 408549065 WIROFLKHDGZJOE-UHFFFAOYSA-N 378.881 3.650 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1NC(=O)CC 408698063 NEWDCDKXLXBTGD-UHFFFAOYSA-N 376.478 3.851 0 40 GHAB CCOC(=O)CN1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2C)C1=O 409038756 AZCNCGPFYSTIMV-GZTJUZNOSA-N 384.457 3.694 0 40 GHAB CSc1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 409411186 FJSZKEGHFALDGX-OAHLLOKOSA-N 392.546 3.819 0 40 GHAB CN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)[C@H]1CCNC1 562976424 ZGXSAZMICGZHSO-HNNXBMFYSA-N 383.542 3.901 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@H](Oc2ccncc2Cl)C1 575611204 CEJQFFYICDUEAT-DRDHIDPGSA-N 386.835 3.547 0 40 GHAB Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCS(=O)(=O)C[C@@H](C)C1 582674081 JMNOWYHHTUZWSO-LBPRGKRZSA-N 380.897 3.700 0 40 GHAB COc1cccc2c1CN(C(=O)NC[C@H]1CCCN(Cc3cccs3)C1)C2 623527194 LPUURLJHIWSTBL-MRXNPFEDSA-N 385.533 3.694 0 40 GHAB CCOC(=O)C1=C(C)NC(c2nccs2)=N[C@@H]1c1ccc(F)c(F)c1C 1857793334 URNLNAXZVGJVDH-OAHLLOKOSA-N 377.416 3.658 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037985566 OAHQKRGQCYTXAO-JOCHJYFZSA-N 398.890 3.768 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 917192 WZEBPLZHVPZSEB-UHFFFAOYSA-N 377.473 3.810 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@@H]1c1ccccn1 955238 IIQAOBCZXYJGDC-QGZVFWFLSA-N 395.850 3.846 0 40 GHAB COc1cc(/C=C/C(=O)Nc2nnc([C@@H]3CCCO3)s2)ccc1OC(C)C 959388 DYDHADJSFOKESW-HEWZJLJBSA-N 389.477 3.837 0 40 GHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)O)c2ccccc12 1732182 IPNOFHDMQFGWFG-UHFFFAOYSA-N 391.832 3.757 0 40 GHAB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 2147711 IMRDFZKALHPBON-CYBMUJFWSA-N 375.421 3.619 0 40 GHAB biogenic CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C 2149027 MVYMDIBQJYVXAZ-CQSZACIVSA-N 375.421 3.619 0 40 GHAB biogenic COc1ccc(-c2nnc3c4cnn(-c5cccc(Cl)c5)c4ncn23)cc1 2377342 DADHZLXOULFHBL-UHFFFAOYSA-N 376.807 3.792 0 40 GHAB O=C(COC(=O)c1ccccc1F)c1ccc(-n2nncc2-c2ccco2)cc1 2684852 XLANQEYCPLZYNW-UHFFFAOYSA-N 391.358 3.706 0 40 GHAB CCCCN(Cc1ccccc1)C(=O)c1cc2c(=O)n3ccccc3nc2n1C 2916938 HIMKLKNHOVKNJY-UHFFFAOYSA-N 388.471 3.629 0 40 GHAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 3312452 RDECFGABEQOGGP-JOCHJYFZSA-N 379.460 3.524 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccccc1 4269235 RQWVUWCVWGEEKN-UHFFFAOYSA-N 381.505 3.762 0 40 GHAB COc1ccccc1NC(=O)CSc1ccc2nnc(-c3cccs3)n2n1 4326643 DLZALZMADVAZEK-UHFFFAOYSA-N 397.485 3.592 0 40 GHAB COc1cccc(CNC(=O)CCCC(=O)N[C@H](C)CCc2ccccc2)c1 4680888 RNUSJRKYIPTNKX-GOSISDBHSA-N 382.504 3.619 0 40 GHAB CCOC(=O)N[C@H](C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)C(C)C 4777433 ZKDIIKCAIHGLNX-SFHVURJKSA-N 395.544 3.961 0 40 GHAB CC(C)(C)OC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 4899480 WDWRIXWNPLSKDD-INIZCTEOSA-N 379.453 3.658 0 40 GHAB CCOc1ccc2nc(NC(=O)c3ccccc3S(=O)(=O)CC)sc2c1 5240887 CMSXFGXRIGEXBA-UHFFFAOYSA-N 390.486 3.741 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1C 5259338 AGYCJQGFXUUTKO-UHFFFAOYSA-N 388.471 3.849 0 40 GHAB CCCN(CCC)C(=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1 5264343 QGIAVUQSFVCLRL-UHFFFAOYSA-N 385.489 3.963 0 40 GHAB COc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC(C)=CC[C@H]4C3=O)c2)c1 5500758 HIIUJVFBIAJBJV-UXHICEINSA-N 390.439 3.793 0 40 GHAB CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)/C1=C\c1ccccc1 5599811 HXDZMNFJQNZXKW-RCCKNPSSSA-N 379.419 3.969 0 40 GHAB biogenic C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc(Br)c2)C1=O 5792395 OKYZUFCENAQLBE-QGZVFWFLSA-N 395.203 3.695 0 40 GHAB O=c1[nH]c(CSc2nnc(-c3c[nH]c4ccccc34)o2)nc2ccccc12 6028803 QDXQMFZOIFGBOV-UHFFFAOYSA-N 375.413 3.747 0 40 GHAB CC(=O)NC(=S)Nc1ccc(NC(=O)COc2cccc3ccccc23)cc1 6238393 LQHBMTHTCZFIOO-UHFFFAOYSA-N 393.468 3.690 0 40 GHAB O=C1N/C(=C/c2ccc(Br)o2)C(=O)N1Cc1ccc(Cl)cc1 6241894 LCKAACZFGRVMMB-KPKJPENVSA-N 381.613 3.788 0 40 GHAB Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1CCc1ccc(F)cc1 6290105 LOLPLYYLGHGRNH-UHFFFAOYSA-N 394.446 3.847 0 40 GHAB CSc1nsc(SCC(=O)Nc2ccc(Br)cc2)n1 6467668 BMTSFDRPJKMODI-UHFFFAOYSA-N 376.326 3.753 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(O)c2)N1c1nccs1 6732531 LJXRRMLEKDZTOL-INIZCTEOSA-N 376.393 3.705 0 40 GHAB CN1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Br)c2)N3)C1 6732667 SECUJRDOEQFHJM-AWEZNQCLSA-N 378.295 3.927 0 40 GHAB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1F 6961904 TWCKFKDFVZOKLC-VGOFMYFVSA-N 392.228 3.518 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 7218552 XPSKVJOPZPSRMA-UHFFFAOYSA-N 390.288 3.831 0 40 GHAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCCO2 7376455 DPEZVJGBHGQMAS-UHFFFAOYSA-N 395.480 3.916 0 40 GHAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)[nH]2)c1 7605370 KDXWGYVXBQHKST-UHFFFAOYSA-N 395.488 3.778 0 40 GHAB Nc1cc(N)nc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 7692692 DZJPTKVQUJGPFS-IBGZPJMESA-N 375.457 3.839 0 40 GHAB Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccccc3F)n2C)c(C)c1 7826607 JCVALXWFXZCTEY-UHFFFAOYSA-N 398.507 3.989 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1)n1nnc2sc3c(c2c1=O)CCCC3 7995148 WGEMSQYUWKMRAJ-SNVBAGLBSA-N 388.880 3.585 0 40 GHAB C[C@@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 8135649 YZMVTOOSZFHHJB-WBVHZDCISA-N 381.501 3.801 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1Cl 8290679 NWJOALNTUKPJIX-UHFFFAOYSA-N 396.871 3.906 0 40 GHAB O=C(Nc1ccccc1N1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 8391979 LETWNSOUXQNFQQ-MRXNPFEDSA-N 381.451 3.808 0 40 GHAB COc1ccc(CNC(=O)CSc2nc3ccccc3n2C(F)F)cc1 8775998 VCSGUZFJRPRSLX-UHFFFAOYSA-N 377.416 3.849 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 8846035 SFBYCGDKEGYLGX-HXUWFJFHSA-N 384.391 3.639 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(O)c2)N1Cc1cccnc1 8846060 BKQLNPDIPSCKCI-FQEVSTJZSA-N 384.391 3.639 0 40 GHAB CCCn1c(NC(=O)CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 9885449 FZLUMCRNVBUAFN-UHFFFAOYSA-N 384.867 3.858 0 40 GHAB Cc1cc(C(=O)CCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)s1 10783230 NXIJATKAMOOFJQ-UHFFFAOYSA-N 398.528 3.749 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 10898473 RHYVHBHVGNDDPW-UHFFFAOYSA-N 389.484 3.971 0 40 GHAB CS(=O)(=O)c1cc(C(=O)OCc2cccc3cccnc23)ccc1Cl 11287136 FEEOMTDGVLJLBF-UHFFFAOYSA-N 375.833 3.649 0 40 GHAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(N2CCCC2=O)c(C)c1 11486605 VYQZDTBECWJGNZ-UHFFFAOYSA-N 376.460 3.673 0 40 GHAB COc1ccc2nc(-c3ccc(F)c(NC(=O)COc4ccccc4)c3)cn2n1 11693539 PQGNYUKDMKXYEK-UHFFFAOYSA-N 392.390 3.562 0 40 GHAB COc1ccc(OCCN(C)Cc2c([C@H]3CCCO3)[nH]c3ncccc23)cc1 12085218 BTAPXEJXZAABKF-HXUWFJFHSA-N 381.476 3.934 0 40 GHAB CCOc1cc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccc(C)cn2)ccc1OC 12135281 AMVHEVMYNBZNSN-VXMMSVGHSA-N 396.531 3.917 0 40 GHAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C(C)(C)c1ccc(Cl)cc1 12141867 ZDSUAILPRZJWHZ-GOSISDBHSA-N 397.906 3.923 0 40 GHAB CCCCc1nc(CN2CCC3(CC2)NC(=O)c2ccccc2O3)c(Cl)[nH]1 12143620 WVYCXXRQQHTRFK-UHFFFAOYSA-N 388.899 3.520 0 40 GHAB Cc1onc(-c2ccncc2)c1C(=O)N(C)Cc1nc2cc(Cl)ccc2[nH]1 12147534 NFFKCFPILJWGNP-UHFFFAOYSA-N 381.823 3.847 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)sc1C 12406979 XJSHDTVAVVEOFL-LBPRGKRZSA-N 391.447 3.760 0 40 GHAB COC(=O)c1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc(C(=O)OC)c1 12795891 QXOOQANOCATTLJ-UHFFFAOYSA-N 399.443 3.575 0 40 GHAB CC[C@H](C)c1ccc(-c2csc(NC(=O)CN3CSCC3=O)n2)cc1 12814430 ZKSSOEZQFUFHQX-LBPRGKRZSA-N 375.519 3.795 0 40 GHAB CC(=O)c1sc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)nc1-c1ccccc1 12879218 WKVGCFQNKGDCOT-MRXNPFEDSA-N 392.436 3.733 0 40 GHAB CCOc1ccccc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 12887030 MDXTZAIWINRKAT-UHFFFAOYSA-N 383.473 3.784 0 40 GHAB O=C(NCc1ccc(N2CCOCC2)nc1)C1(c2ccc(Cl)cc2)CCCC1 12914636 OXGKGMDVRVCAJM-UHFFFAOYSA-N 399.922 3.700 0 40 GHAB COc1ccccc1[C@H](CNC(=O)[C@@H]1Cc2ccccc2S1)N1CCCC1 13009235 FPZQQLKLRGQRGH-RXVVDRJESA-N 382.529 3.665 0 40 GHAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 14000049 DHFGQOKIZXHZCM-QGZVFWFLSA-N 396.487 3.736 0 40 GHAB C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(Cl)c(Cl)c1 14184405 FZKOSOWTCIARJA-LBPRGKRZSA-N 393.270 3.986 0 40 GHAB CC(C)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 14597647 KOCFEVCLFGSZDC-INIZCTEOSA-N 380.444 3.573 0 40 GHAB Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2cccs2)c2ccco2)ccc1F 15781278 JGPXOLWADDNSPT-QGZVFWFLSA-N 393.461 3.734 0 40 GHAB O=C(OCc1csc(-c2ccccc2)n1)C1CCN(C(=O)c2ccco2)CC1 19482223 USGYZPPLWJMTGF-UHFFFAOYSA-N 396.468 3.999 0 40 GHAB CCc1oc(C(=O)N(C)C[C@H]2OCCc3ccccc32)cc1CN1CCCC1 19521493 HTODLJVHTQBKTN-JOCHJYFZSA-N 382.504 3.824 0 40 GHAB CCCN1C(=O)CCc2c(C)nc([C@H]3CCCCN3Cc3cnc(C)s3)nc21 19741019 MQCOYDQYZVQTBP-GOSISDBHSA-N 399.564 3.966 0 40 GHAB Cc1nc(NC(=O)[C@H]2CC2(Cl)Cl)sc1Cc1ccc2c(c1)OCO2 21320385 JPOHWDXACATEQT-SNVBAGLBSA-N 385.272 3.903 0 40 GHAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 21600786 GHWBUZXFSFOPOF-JKSUJKDBSA-N 384.501 3.715 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1C 23732161 LCKPXPLGJKKZMM-UHFFFAOYSA-N 379.913 3.507 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc(Cl)cc2Cl)c1 24153072 SXEYNCDBOSUVKI-UHFFFAOYSA-N 388.272 3.674 0 40 GHAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O 24346634 XHYBDPVTTJKMHD-FQEVSTJZSA-N 383.354 3.587 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1 24444396 LTWZXXPAWISDIS-UHFFFAOYSA-N 387.379 3.609 0 40 GHAB CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1 24541885 VKIIIPRQSGBJLZ-UHFFFAOYSA-N 376.453 3.642 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CN[C@H](C)c2cccc(Cl)c2)c(C)c1 24985036 YTIZNHGSWOYKMZ-MRXNPFEDSA-N 387.911 3.671 0 40 GHAB CCn1c(=O)c(C)nc2cc(C(=O)N(Cc3ccc(C)cc3)C3CC3)ccc21 25293097 JSWXBQRMXKCNCE-UHFFFAOYSA-N 375.472 3.838 0 40 GHAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccc(F)cc1)C[C@H]1CCCO1 27989344 JEXVPPHJDVYMIJ-QGZVFWFLSA-N 399.393 3.893 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)nc3)o2)c1 28047750 LSHYLARNYJTQQH-UHFFFAOYSA-N 376.825 3.524 0 40 GHAB COc1ccc(CN2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 28404948 ANFOPIAKJGZCIL-ZDUSSCGKSA-N 393.270 3.989 0 40 GHAB CCN1CCN(CCNc2nc(C)nc3scc(-c4cccs4)c23)CC1 31784583 NMJHEGHSSRVWTC-UHFFFAOYSA-N 387.578 3.778 0 40 GHAB CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3Cc2ccccc2Cl)c2ccccc21 32103028 DJVXDWHKHVEEAV-NRFANRHFSA-N 392.846 3.839 0 40 GHAB CC1CCN(c2ccc(NC(=O)c3cccc(CS(C)(=O)=O)c3)cc2)CC1 32741121 JYANSYOAABDPJL-UHFFFAOYSA-N 386.517 3.720 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 32810720 AJLLJRIAFCQIEJ-LEWJYISDSA-N 379.456 3.921 0 40 GHAB Cc1nn(C)c2ncc(C(=O)O[C@@H](C)C(=O)C34CC5CC(CC(C5)C3)C4)cc12 32899855 XPVATBNNKSBCJW-QRYOHXEKSA-N 381.476 3.608 0 40 GHAB Cc1cccc(C)c1NC(=O)CCCSCc1nnnn1-c1ccccc1 32909412 RRODDKDSDLKRLV-UHFFFAOYSA-N 381.505 3.931 0 40 GHAB COc1ccc(OC)c(-c2csc(-c3nnn(-c4ccc(C)cc4)c3N)n2)c1 33265153 NZFUYUKTHQYWLW-UHFFFAOYSA-N 393.472 3.966 0 40 GHAB Cc1sc2nc([C@H](C)Nc3ccccc3N3CCOCC3)[nH]c(=O)c2c1C 33487650 IYRMVPBXFGTRJA-ZDUSSCGKSA-N 384.505 3.611 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 35388536 CRVMECYPOUSQBD-OAQYLSRUSA-N 380.517 3.685 0 40 GHAB CC(C)c1ccc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccccc3)C2=O)cc1 36585199 DOERQIHFVRIKNR-LJQANCHMSA-N 379.460 3.854 0 40 GHAB Cc1ccc(Cn2cnc(NC(=O)c3cc(C4CC4)nc4onc(C)c34)n2)cc1 36613695 QQPIIDNGKVVYBP-UHFFFAOYSA-N 388.431 3.609 0 40 GHAB O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)[C@H]1COc2ccccc2O1 36630025 VDSVYCQDJPFPPO-SNVBAGLBSA-N 398.227 3.883 0 40 GHAB C/C=C/C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)o2)cc1 39762545 PSEKITGVGJJCQZ-ONEGZZNKSA-N 378.388 3.512 0 40 GHAB COc1cc(C(=O)Nc2ccc3[nH]ncc3c2)ccc1OCc1cscn1 40071681 SORULZQESVRHMQ-UHFFFAOYSA-N 380.429 3.859 0 40 GHAB Cc1ccccc1CS(=O)(=O)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 40121876 UVPOEEZNKBVLQU-GOSISDBHSA-N 385.529 3.737 0 40 GHAB O=C(CCNC(=O)c1ccc(F)cc1Cl)NCCc1cccc(Cl)c1 40130697 HLETVCSLOLVGNX-UHFFFAOYSA-N 383.250 3.611 0 40 GHAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccnc1N1CCCCC1 40132876 VYJGGJFUAWWOCN-IBGZPJMESA-N 381.476 3.882 0 40 GHAB CC(C)[C@H](CNC(=O)c1ccccc1SC[C@@H]1CCCO1)N1CCCC1 42555602 SEVKKHPCMCBKBA-HKUYNNGSSA-N 376.566 3.808 0 40 GHAB Cn1ncc2c1CCC[C@H]2NCc1cc(Br)c2c(c1)OCCCO2 42797106 SPMGQYJRRNDDNR-OAHLLOKOSA-N 392.297 3.511 0 40 GHAB COc1ccccc1C(=O)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 43989943 JKXSZDVKXZMPEH-UHFFFAOYSA-N 392.455 3.724 0 40 GHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)c2)n1 49302415 CDUPZLQHXGUTOF-GOSISDBHSA-N 395.846 3.595 0 40 GHAB Cc1cc(NC(=O)CN2CCN(c3ccccc3F)C2=O)c2ccccc2n1 49381320 GDKHQCGOCCDVGM-UHFFFAOYSA-N 378.407 3.563 0 40 GHAB O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)c2cc3c(cc2o1)CCC3 54105916 JYFFKOYQGMLELJ-UHFFFAOYSA-N 378.447 3.743 0 40 GHAB biogenic CCOC(=O)c1sc2[nH]c([C@@H](C)NC3CCC(C)CC3)nc(=O)c2c1C 58156680 KYSHVUDMJSIKME-YXMLORGKSA-N 377.510 3.699 0 40 GHAB O=C(C[C@H]1CCCO1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58369500 RFSCORVHOWPVGQ-OAHLLOKOSA-N 375.419 3.630 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1cccnc1Oc1ccc2c(c1)OCO2 71282423 NPBGNAZHAVCTGI-UHFFFAOYSA-N 394.383 3.872 0 40 GHAB COc1cc(CCc2cc(NC(=O)CCc3ccsc3)[nH]n2)cc(OC)c1 72287995 UDDSNWZZUKOXTH-UHFFFAOYSA-N 385.489 3.845 0 40 GHAB Brc1nc(Br)n(CN(CC2CCCCC2)C2CC2)n1 72312395 RIZCJOYYHHOLCW-UHFFFAOYSA-N 392.139 3.805 0 40 GHAB Cc1nc(N)c2ccc([C@H]3CCCCN3C(=O)CCc3ccc(F)cc3)nc2n1 72377349 FMZIVOJRDSGTCR-LJQANCHMSA-N 393.466 3.741 0 40 GHAB CCn1cc(Cl)c(-c2cc(O)n3nc(COC)c(-c4ccccc4)c3n2)n1 72391383 DAYZXJZEALOODX-UHFFFAOYSA-N 383.839 3.785 0 40 GHAB COC(=O)c1ccc(CN(C)C(=O)c2c[nH]nc2-c2cccc(Cl)c2)cc1 83862492 WKOIEKDOFMQRMM-UHFFFAOYSA-N 383.835 3.789 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc3nc(Cl)sc3c2)c(OC)c1 83927880 KCTHXKZVDMUFLZ-UHFFFAOYSA-N 384.866 3.768 0 40 GHAB CN(Cc1ccc(OC[C@H]2CCCO2)cc1)Cc1cn(C)nc1C(F)(F)F 93989146 GGJIPDBFEHFIKK-QGZVFWFLSA-N 383.414 3.629 0 40 GHAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 95397019 ALFXZQSYKUCVLP-MRXNPFEDSA-N 397.454 3.554 0 40 GHAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C 95459227 RAKDMUDDHVASTG-NRFANRHFSA-N 390.487 3.621 0 40 GHAB Cc1ncc(CN2CCCC2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc12 95472202 NBVWKDMJTBGIFA-UHFFFAOYSA-N 378.428 3.734 0 40 GHAB COC(=O)c1sccc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 95951171 GJGMOMAERZAXPB-UHFFFAOYSA-N 397.334 3.856 0 40 GHAB Cc1ccccc1[C@@H]1CN(C(=O)Nc2cccc(-n3ccnn3)c2)[C@@H](C)CO1 96013218 ZGRRDPVAGMFMHA-JXFKEZNVSA-N 377.448 3.570 0 40 GHAB Cc1cc2nc(CO[C@H]3CN(Cc4ccc(C(=O)O)cc4)C[C@H]3F)[nH]c2cc1C 96112332 KVAAPTLTWRRLLM-XLIONFOSSA-N 397.450 3.617 0 40 GHAB biogenic,in-vitro CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21 96242362 ALNQBGUDIOICFZ-IBGZPJMESA-N 397.563 3.982 0 40 GHAB COc1cccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)c1 100970533 CFRMSCLPVQQMIJ-INIZCTEOSA-N 384.237 3.500 0 40 GHAB CC(=O)c1cccc(N[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 101630412 SNHHYYNUMZSIEQ-MRXNPFEDSA-N 377.227 3.940 0 40 GHAB Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1[C@H]1C[C@H]21 101967521 PBSDNHFROFWOEU-OLZWRCARSA-N 390.277 3.773 0 40 GHAB Cc1cccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1C 102592127 PGELIPHLLONTLO-IDPBPBMLSA-N 387.435 3.834 0 40 GHAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1OC 102604029 DCEAFKNXEHAHEO-RBZFPXEDSA-N 392.415 3.954 0 40 GHAB CCn1c(S)nc2cc(C(=O)NC3(c4ccccc4)CCC3)ccc2c1=O 102761180 NPPFIHOYKHKRPG-UHFFFAOYSA-N 379.485 3.514 0 40 GHAB Cc1ccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c(C)c1 113965452 MFVCKGTWYVEMCS-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)c1ccc(Cl)cc1 123791343 JEKYNFMXZSJDJZ-UHFFFAOYSA-N 396.896 3.678 0 40 GHAB Cn1cc(CC(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)c2ccccc21 206774128 IUARUGSOGFHNCG-KRWDZBQOSA-N 388.471 3.647 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCc1ccc(OC)c(OC)c1 219357600 OKOKTUGSKGCDFB-LJQANCHMSA-N 387.476 3.619 0 40 GHAB COc1ccc(-n2cccc2CNC(=O)c2ccc3nc(Cl)n(C)c3c2)cc1 222561029 FBMFHYVOXMPWLR-UHFFFAOYSA-N 394.862 3.956 0 40 GHAB CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 223344449 JEHCEIRYHZCLKB-JTHBVZDNSA-N 394.515 3.852 0 40 GHAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 223488383 IXWJNHAVMNHSBY-QFIPXVFZSA-N 396.531 3.750 0 40 GHAB CCCC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC(C)(C)C 224120996 MQXBPAVTXMPFNY-CYBMUJFWSA-N 383.330 3.881 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)c(C)c1C 224253748 KZPIDVZUHYVZGN-UHFFFAOYSA-N 390.505 3.641 0 40 GHAB Cc1cccc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1 224268092 XXVKMLRCEJJZLQ-UHFFFAOYSA-N 388.475 3.756 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1 224941942 OEAXQAVFVJTVLD-JOCHJYFZSA-N 380.532 3.851 0 40 GHAB COc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2F)cc1 225157628 OXNSHDZYQSJTEQ-UHFFFAOYSA-N 383.872 3.916 0 40 GHAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)cc1 225700756 MGTCOJYCHSILGG-ZDUSSCGKSA-N 390.530 3.685 0 40 GHAB Cc1noc([C@@]2(C)CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)n1 257210280 BTYLJCDLIFKYGO-NRFANRHFSA-N 381.432 3.890 0 40 GHAB CN(C)Cc1cccc(-c2cccnc2C(=O)NCCOc2ccc(F)cc2)c1 257243755 IIKYCASMZICRQX-UHFFFAOYSA-N 393.462 3.758 0 40 GHAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1c(C)ccc2nsnc12 408572160 HDKXBYSYXSUEKA-UHFFFAOYSA-N 392.893 3.789 0 40 GHAB CCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)N(CC)CC)cc1 408594458 SEMFDOCBUCXLDP-UHFFFAOYSA-N 391.493 3.760 0 40 GHAB COc1ccc(N(Cc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1OC 408628603 ZGEDJDZBMIYYBS-UHFFFAOYSA-N 390.288 3.977 0 40 GHAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)NC(C)C 408700292 CSIHRVLHEWXLPM-UHFFFAOYSA-N 396.896 3.678 0 40 GHAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O 409330930 NNMYCARYLVIKBO-WQRHYEAKSA-N 396.468 3.987 0 40 GHAB COc1ccc([C@@H](NC(=O)Nc2ccc(-c3nncs3)cc2)C2CC2)cn1 529097236 YJXLSPVLKLSVNQ-KRWDZBQOSA-N 381.461 3.882 0 40 GHAB C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](n2ncc3ccccc32)C1 542825033 NTBXPQBHZDJEPF-MAUKXSAKSA-N 382.895 3.641 0 40 GHAB O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)N1Cc2cnn(-c3ccccc3)c2C1 556741426 POEDSKVCTKNUKS-AVRDEDQJSA-N 388.471 3.675 0 40 GHAB O=C(Nc1cncc(Cl)c1Br)[C@H](c1ccccc1)n1cccn1 561816316 IBSIERVOQFXNKN-HNNXBMFYSA-N 391.656 3.922 0 40 GHAB O=C(CSc1nc2ccccc2o1)N1CC[C@H](Oc2ccncc2Cl)C1 575610337 JWMNOCFXUIRWCM-LBPRGKRZSA-N 389.864 3.648 0 40 GHAB C[C@H]1CCCc2ncc(C(=O)NC3CCN(c4nc5ccccc5s4)CC3)n21 651198745 IALLDSGOHMXMLW-AWEZNQCLSA-N 395.532 3.789 0 40 GHAB Cc1cccc(-n2cnc3cc(C(=O)N4CCC[C@@H]([C@H]5CCNC5)C4)ccc32)c1 662522600 MGTLUZBCDYIVFA-VQTJNVASSA-N 388.515 3.796 0 40 GHAB COCCOc1cc(C(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)nc2ccccc12 678649667 PBJNZNMSOIZPSU-MSOLQXFVSA-N 398.503 3.539 0 40 GHAB O=C1CN(C(=O)N(c2ccccc2)c2ccccc2)CCN1c1nccs1 1565523440 ORKOMYJUQLPMFR-UHFFFAOYSA-N 378.457 3.750 0 40 GHAB O=C(CCC(F)(F)F)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1775973722 MYLGONREUWNPLG-QWRGUYRKSA-N 380.208 3.683 0 40 GHAB Cc1nc(C(=O)Nc2ccc(Br)cc2F)cc(C(F)(F)F)n1 1888868639 WESYPQJKIIQRDQ-UHFFFAOYSA-N 378.123 3.958 0 40 GHAB Oc1cc(C(F)F)nc(N2CCN(c3nc4ccc(Cl)cc4s3)CC2)n1 1888904074 KZWLIHHPQKNKSR-UHFFFAOYSA-N 397.838 3.710 0 40 GHAB CCOC(=O)c1cccc(O[C@H]2CCC[C@@H](N(C)Cc3ccccc3)[C@@H]2O)c1 2037888053 PAVBYRMWSMXDTH-FSSWDIPSSA-N 383.488 3.656 0 40 GHAB CCOc1nc(Nc2ccc([C@H]3Nc4ccccc4O3)cc2)nc(OCC)n1 793435 ZNQCNLJAQOJHHO-KRWDZBQOSA-N 379.420 3.916 0 40 GHAB O=C(CN1CCCC1)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2 823173 BSKNNLFNODFXEN-UHFFFAOYSA-N 386.499 3.832 0 40 GHAB Cc1ccc(-c2nc(SCC(=O)N3CCOCC3)c3ccccc3n2)cc1 887036 MGPWAIGPAGOJKW-UHFFFAOYSA-N 379.485 3.556 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1C 899390 UFIUGGXTQWSXKL-UHFFFAOYSA-N 382.489 3.838 0 40 GHAB Cc1cc(Cl)cc2c1NC(=O)[C@@]2(O)CC(=O)c1ccc(Br)cc1 1624341 CIMUGHIYCUFSOP-QGZVFWFLSA-N 394.652 3.824 0 40 GHAB CC(C)(C)OC(=O)NCCCCCC(=O)Oc1ccc2ccc(=O)oc2c1 2094509 BHVSILIUXHHWEH-UHFFFAOYSA-N 375.421 3.784 0 40 GHAB biogenic Cc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1F 2385240 BTOSHWQXLYWJSU-UHFFFAOYSA-N 391.493 3.790 0 40 GHAB CCN1C(=O)[C@](O)(CC(=O)c2ccc3cc(OC)ccc3c2)c2ccccc21 3235244 MTTPJCUAMHSNJC-QHCPKHFHSA-N 375.424 3.676 0 40 GHAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N(C)C(=S)N2C)cc1 3266547 MGTPBWUHAXLWOI-IBGZPJMESA-N 381.501 3.811 0 40 GHAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2C)c1 3400399 KNNQBZKBONSBMM-ZDUSSCGKSA-N 396.472 3.639 0 40 GHAB Cc1ccc(NC(=S)N(CCCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 4126974 XHEZUPROOYBNJT-UHFFFAOYSA-N 395.528 3.726 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 4500472 ZQSVCERZGKGOKF-MRXNPFEDSA-N 395.532 3.953 0 40 GHAB COc1cccc(-n2c(/C=C3\C(=O)Nc4ccccc43)nc3ccccc3c2=O)c1 4589967 OCDJZOKMWTVWAM-RGEXLXHISA-N 395.418 3.887 0 40 GHAB O=C1C[C@H](c2cc(Br)cs2)c2c(c3ccccc3[nH]c2=O)O1 4625918 WVGCCWZFYRMLLH-SNVBAGLBSA-N 376.231 3.793 0 40 GHAB COc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CCN(C(C)=O)CC1 4994719 DCDQQWQSJXYXGA-FQEVSTJZSA-N 391.471 3.577 0 40 GHAB CC(=O)N(C)C1(c2nnnn2C(c2ccccc2)c2ccccc2)CCCCC1 5242957 CSXRHFVGCBSSMF-UHFFFAOYSA-N 389.503 3.949 0 40 GHAB O=C(Cc1cccc2ccccc12)Nc1ccc(N2CCCCS2(=O)=O)cc1 5250653 WUEMHAZFXBANRR-UHFFFAOYSA-N 394.496 3.951 0 40 GHAB O=C(N[C@H]1C(=O)NN(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 5447371 SAEOQJCJCQYVBK-WOJBJXKFSA-N 391.858 3.731 0 40 GHAB Cc1ccccc1-c1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n1C 5861805 NWBZZWFSJPNJAC-CYBMUJFWSA-N 377.473 3.880 0 40 GHAB CN1C(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)C(=O)C12CCCCC2 6006471 ANDOUNUBMMNLKU-UHFFFAOYSA-N 384.263 3.529 0 40 GHAB Cc1sc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC1 6679631 WDRJTQVIPUMYEE-UHFFFAOYSA-N 384.910 3.747 0 40 GHAB C[C@H](CNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccccc1 6876365 MCVGRKLMLQBLOA-OAHLLOKOSA-N 394.427 3.507 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1O[C@@H](C)CC 7078173 RMZZFQKWSHLWMG-XNFYSYIQSA-N 397.269 3.548 0 40 GHAB O=C(Nc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7157823 XRRVJRWIJUOMEV-UHFFFAOYSA-N 379.869 3.769 0 40 GHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2F)CC1 7381861 MNTVGTGJEBEHCV-LJQANCHMSA-N 376.859 3.985 0 40 GHAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(COc2ccccc2)o1 7491476 QQWWKQQQBAFGQB-UHFFFAOYSA-N 390.439 3.915 0 40 GHAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc(C(=O)NC)c2)CC1=O 7778016 MUPXCSJEPAXHHU-NVXWUHKLSA-N 393.487 3.551 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(Br)cc2F)c1C 8260965 FEYVLVWKZCYUCZ-UHFFFAOYSA-N 396.212 3.775 0 40 GHAB CSc1nc2nc(C)c(CCC(=O)N[C@H]3CCCc4ccccc43)c(C)n2n1 8401492 HTUVEOHXIBWSFF-SFHVURJKSA-N 395.532 3.589 0 40 GHAB NC(=O)c1ccsc1NC(=O)CSc1ncc(-c2ccccc2)n1C1CC1 8708777 YRALCEIKUXVPMV-UHFFFAOYSA-N 398.513 3.776 0 40 GHAB COc1ccc(OC)c(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 8748429 CWNKYRFRUBZYOP-UHFFFAOYSA-N 381.432 3.700 0 40 GHAB O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2cccs2)N1C[C@@H]1CCCO1 8778754 POZHRHWAXOXEHD-DJJJIMSYSA-N 380.473 3.884 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=O)C1CCN(Cc2ccccc2C)CC1 9062554 MNNLJABRHJFQFH-QHCPKHFHSA-N 385.596 3.978 0 40 GHAB Cc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)S2 9236476 XWGCZBWWTBNBHJ-CVEARBPZSA-N 385.880 3.638 0 40 GHAB NC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1 10384016 ZPZJEWAGHHNPGX-IRXDYDNUSA-N 394.500 3.760 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1N1CCCCC1 11168155 KGNDNVUNRLORFD-QGZVFWFLSA-N 392.503 3.853 0 40 GHAB CCCCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 11501581 LRPNYXRUQDIHKT-UHFFFAOYSA-N 394.475 3.980 0 40 GHAB Cc1ccccc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 11612945 CFAXRVDZCQBYKU-KRWDZBQOSA-N 390.480 3.706 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 11672167 AWHDZJSOYFEPQX-UHFFFAOYSA-N 386.451 3.934 0 40 GHAB CSc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1 11694885 YJVFSZXYNJBFPS-XWIAVFTESA-N 379.489 3.658 0 40 GHAB CCOC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc(C(C)=O)c1C 12062611 XRAODXWSCQHCPJ-UHFFFAOYSA-N 399.424 3.795 0 40 GHAB Cc1cc(C)c(C(=O)N[C@H](Cc2ccsc2)c2nc(C)c(C)s2)c(=O)[nH]1 12228124 OGGZXFYRWAXTMR-OAHLLOKOSA-N 387.530 3.840 0 40 GHAB COCc1cc(C)nc2c1C(=O)N[C@@H](c1ccc(C)o1)N2Cc1ccccc1 12462499 HKBNUENOIPKYFM-HXUWFJFHSA-N 377.444 3.887 0 40 GHAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1ncc(-c2ccc(F)cc2)o1 12599301 YBKXWNVJWABXIS-HXUWFJFHSA-N 397.431 3.826 0 40 GHAB COc1ccc(C(=O)C2CCN(C(=O)Cc3noc4ccccc34)CC2)cc1 12741893 UVTJTPNTBMZTQF-UHFFFAOYSA-N 378.428 3.500 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)cc1 12784705 LRQJKSYOXFVVIH-MRXNPFEDSA-N 388.508 3.730 0 40 GHAB COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c1 12815615 COLOTIHMBFHISD-QGZVFWFLSA-N 396.306 3.984 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3ccc(-n4cccn4)nc3)sc2C)cc1 12816162 DPPSKHNRQIJAQK-UHFFFAOYSA-N 391.456 3.960 0 40 GHAB CN(Cc1ccco1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 12848328 ZCHMFBOXNGQUGI-UHFFFAOYSA-N 376.456 3.944 0 40 GHAB Cc1cccc(C)c1OCCN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 12908668 ODOWIFWBJFLVIT-QHCPKHFHSA-N 378.472 3.856 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)NC(=O)OCc1ccccc1 12946824 RVCJJKDGUWCDSK-INIZCTEOSA-N 392.459 3.743 0 40 GHAB COc1cccc(CNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 13007232 MLXZWAIKJHXZAD-JOCHJYFZSA-N 388.467 3.873 0 40 GHAB C[C@H]1CCCN(C(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)C1 13649448 SGWYTPZHJBAHIS-KRWDZBQOSA-N 386.517 3.525 0 40 GHAB CCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 14171884 IMODVZGRGIQLCS-UHFFFAOYSA-N 386.517 3.836 0 40 GHAB Cc1cc(Cl)ccc1OCCCC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 14185050 XVLFXESDOGLDDK-UHFFFAOYSA-N 399.878 3.703 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 14198000 SHGLCNRUEFQPKP-AWEZNQCLSA-N 399.878 3.614 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(c2ncnc3sccc23)CC1 14328495 UJJCDSDROQBQQE-UHFFFAOYSA-N 381.457 3.562 0 40 GHAB Cc1csc2nc(COC(=O)CSc3ccc(Cl)cc3)cc(=O)n12 15734137 UAVGAUOXRUSSIB-UHFFFAOYSA-N 380.878 3.553 0 40 GHAB CC(C)c1ccc(-c2noc(Cn3c(S(C)(=O)=O)nc4ccccc43)n2)cc1 18380862 FLJOWJCYOVHKRT-UHFFFAOYSA-N 396.472 3.662 0 40 GHAB COc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ncccc2C)cc1OC 19237688 CBKQIYAWIBYUME-LIMIJEPZSA-N 382.504 3.527 0 40 GHAB Cn1ccnc1C1(O)[C@H]2CCC[C@@H]1CN(Cc1ccccc1OC1CCCC1)C2 19291412 PNBWHCQHNMFUBS-VXMMSVGHSA-N 395.547 3.861 0 40 GHAB CNC1CCC2(CC1)CN(Cc1ccc3c(c1)OCCO3)Cc1ccccc1O2 19591986 UQLCKLXZPZBSEY-UHFFFAOYSA-N 394.515 3.753 0 40 GHAB CC1(C)C[C@H](NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)c2ccccc2O1 19659873 DDDYLJYMRNGKLT-AWEZNQCLSA-N 386.835 3.667 0 40 GHAB Cc1noc2nc(C(C)C)cc(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)c12 19663567 QYGKFPUYKDRAGR-QGZVFWFLSA-N 394.475 3.871 0 40 GHAB CCn1cc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cn1 19689961 HHPJGARXYWVPMU-FQEVSTJZSA-N 394.498 3.902 0 40 GHAB CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)Cc3nccn3CC)cc2)C1 19711934 FFFGFJDISMNWGM-YADHBBJMSA-N 398.551 3.624 0 40 GHAB C[C@H]1CCCCN1Cc1cccc(NC(=O)c2nc3ccccc3n(C)c2=O)c1 19715029 PULGHQCMFZRSNI-INIZCTEOSA-N 390.487 3.560 0 40 GHAB Cc1nc([C@@H]2CCCN2C(=O)CC2CCCC2)nc2c1CCC(=O)N2CC(C)C 19740750 CHCXJXQPOWMEHM-IBGZPJMESA-N 398.551 3.964 0 40 GHAB Cc1cccc(-c2c3c(nc4nc(N5CCCCC5)[nH]c(=O)c24)CCCC3=O)c1 19820060 SKJUNQZTDLVLMI-UHFFFAOYSA-N 388.471 3.803 0 40 GHAB CCc1ccc(/C(Cl)=C/C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1 19944822 ONWMUHVCZODVIS-BOPFTXTBSA-N 389.879 3.942 0 40 GHAB COC(=O)c1c(C)nc2ccn(-c3ccccn3)c(=O)c2c1-c1ccc(C)cc1 19973857 VELISLIGGXYURQ-UHFFFAOYSA-N 385.423 3.851 0 40 GHAB CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3)o2)cc1 20197126 FDVBTRWJJLBYQR-UHFFFAOYSA-N 383.473 3.962 0 40 GHAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc(CC)cc3)c2)nn1 21089742 ZVMAXDGRKGRQNZ-UHFFFAOYSA-N 383.473 3.906 0 40 GHAB CCN(CC)CCNCc1cc(Br)cc(Br)c1OC 22074954 VOZHKOCQYONETA-UHFFFAOYSA-N 394.151 3.652 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nccn2-c2ccccc2)c1C 27487364 XFXKXDSVDUQTHR-AWEZNQCLSA-N 383.473 3.967 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(Cc2nc(O)c3ccc(Cl)cc3n2)C1 27570450 GTIWPGKJSCBHSM-AWEZNQCLSA-N 396.878 3.840 0 40 GHAB COc1ccc(CN2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 28404147 PSYIRWQFROJHIE-AWEZNQCLSA-N 392.377 3.701 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1nc(C2CC2)no1 29525654 QFXCMZPRIGHRFC-UHFFFAOYSA-N 388.777 3.690 0 40 GHAB CCCCNC(=O)C1CCN([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 29927130 JDGYJMVQEDTKPL-QGZVFWFLSA-N 381.520 3.795 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N3)cc1 31814796 RVYOHKRLGGYZSV-OAHLLOKOSA-N 399.813 3.568 0 40 GHAB CCCn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)n[nH]c1=O 32325602 JQOZZPPIKKZLMV-UHFFFAOYSA-N 380.926 3.974 0 40 GHAB O=C(Cc1ccc(Br)cc1)NCc1cccc(CN2CCCC2)c1 32462122 VVFZAGNKVUSDFF-UHFFFAOYSA-N 387.321 3.904 0 40 GHAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 32508828 JEONZYAISDPJTI-CVEARBPZSA-N 393.365 3.556 0 40 GHAB Cc1nc2ccccc2nc1COC(=O)c1cccc(OC[C@@H]2CCCO2)c1 32903166 RZHHUUPBQIMYNR-SFHVURJKSA-N 378.428 3.853 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)nc1)c1cccc(OCc2cccs2)c1 32914401 QFNMKUHTNFMLPW-UHFFFAOYSA-N 395.484 3.811 0 40 GHAB COc1ccc(-c2nnc3sc(-c4cc(C(C)(C)C)nn4C)nn23)cc1OC 36358782 XYYPFGDEGFJFBU-UHFFFAOYSA-N 398.492 3.568 0 40 GHAB CCN(C(C)=O)c1nc(CN2CCC[C@H]2c2ccc(OC)c(OC)c2)cs1 40105459 PPYMQMLIGFCIGZ-KRWDZBQOSA-N 389.521 3.870 0 40 GHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)NCc1cc(F)cc(F)c1 40133119 HOHDHNKMEXNROZ-UHFFFAOYSA-N 391.368 3.904 0 40 GHAB COc1cc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc(OC)c1 40140215 ZQQUWLNBOSVNPN-UHFFFAOYSA-N 399.397 3.909 0 40 GHAB Cc1nn2c(=O)cc(CN3CCc4sccc4[C@@H]3c3ccccc3)nc2s1 43273082 ZSWLISIARJXAHF-IBGZPJMESA-N 394.525 3.669 0 40 GHAB CCc1nc2c3cc(OC)c(OC)cc3nc(SCc3ccccn3)n2n1 43804375 XRBWDMCEVZRQIH-UHFFFAOYSA-N 381.461 3.544 0 40 GHAB Cc1cc(Cc2cnc(NC(=O)c3cnccn3)s2)ccc1Br 44632255 SJUOCNDUKXTQQW-UHFFFAOYSA-N 389.278 3.847 0 40 GHAB CC(C)[C@@H](Oc1ccccc1Br)C(=O)NC1CCN(C2CC2)CC1 45059485 MZRDDTJXGQHZEY-GOSISDBHSA-N 395.341 3.596 0 40 GHAB C[C@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(OCc2cccnc2)cc1 45744534 DPWFJITVOGRQDT-HNNXBMFYSA-N 386.448 3.839 0 40 GHAB CC(=O)NCC1CCN(C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 48374811 PPWFWVSTWMJGLR-ROUUACIJSA-N 397.544 3.721 0 40 GHAB Cc1ccccc1-c1noc(-c2cccn(CC(=O)Nc3ccccc3)c2=O)n1 49002513 YFGVJNAUMJAEAW-UHFFFAOYSA-N 386.411 3.512 0 40 GHAB Cc1cc(C(=O)NCCc2cc(F)cc3c2OCOC3)c2ccc(F)cc2n1 52901471 YMPPVBMVWWERJJ-UHFFFAOYSA-N 384.382 3.660 0 40 GHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccnc1N1CCOCC1 54480171 CGJLDRDCVLTOHL-OAHLLOKOSA-N 380.448 3.889 0 40 GHAB C[C@H]1CCC[C@H](CNC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)C1 56817542 AQGOIKAJVMWIJQ-WMZOPIPTSA-N 389.515 3.690 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)cc1 59133001 BMDHCWKNERYAHY-UHFFFAOYSA-N 396.468 3.813 0 40 GHAB Cn1cc(CNC[C@@H](O)c2ccc(F)cc2F)c(-c2cc3ccccc3o2)n1 67185840 CVVUQQKAJBSLGR-GOSISDBHSA-N 383.398 3.935 0 40 GHAB CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cccc(N2CCOC2=O)c1 72091437 XJGFTILMDPYTOH-IBGZPJMESA-N 380.444 3.636 0 40 GHAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2ccccc2)nc1C 72345500 HEPUJBNVGWSMQH-LJQANCHMSA-N 380.492 3.634 0 40 GHAB O=C(Cc1ccncc1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 72358837 QEPHTZWUJYUWFZ-GOSISDBHSA-N 376.435 3.626 0 40 GHAB CCOC(=O)[C@]1(Cc2cc(-c3cccc(C)c3)no2)CCCN(C(=O)C2CC2)C1 72394126 FMZIGOXPNDRYTP-QHCPKHFHSA-N 396.487 3.774 0 40 GHAB CN(C)c1cccc(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)c1 90504319 SKQDHPBHRIVVNL-UHFFFAOYSA-N 390.487 3.508 0 40 GHAB Cn1cc([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 95801797 LUJXVUNQXOFNOC-OAHLLOKOSA-N 383.245 3.988 0 40 GHAB COC(=O)C[C@H](c1ccc(Br)s1)c1c(O)ccc2nsnc12 96231317 NIPILRFAFVTRKK-SSDOTTSWSA-N 399.291 3.916 0 40 GHAB C[C@@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1cc2ccccc2o1 96402252 AKZDDUQFYRKAPQ-OAHLLOKOSA-N 378.428 3.816 0 40 GHAB CC(C)(C)c1ccc(N2CCC(NCCC(=O)NCc3ccccn3)CC2)cc1 97377092 BMJGUEMPIXDEQI-UHFFFAOYSA-N 394.563 3.644 0 40 GHAB Cc1cnc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccsc4)o3)CC2)cn1 100156378 XGIOLFNFVMXWMX-OKILXGFUSA-N 383.477 3.600 0 40 GHAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)C[C@@H]3CC=CCC3)CC2)nn1C 100687630 GNNXCBYQKMCCHR-NJYVYQBISA-N 386.584 3.960 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 104022314 PWRDREKPXBQYHO-LLDVTBCESA-N 388.489 3.635 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113951805 MPGATPNFHOYLLJ-OAQYLSRUSA-N 381.520 3.851 0 40 GHAB COC1CCN(C2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)CC1 206766524 XXRHZZUWJOUQFU-UHFFFAOYSA-N 385.430 3.813 0 40 GHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219607937 XDXLJTCQMXFLAY-MRXNPFEDSA-N 393.867 3.840 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1 223084619 MQNXHTJGYWBBHT-SJORKVTESA-N 386.467 3.537 0 40 GHAB O=S(=O)(Cc1cccc(Br)c1)NCCSC1CCCC1 223623311 WHJGJICONKUXBC-UHFFFAOYSA-N 378.357 3.544 0 40 GHAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1 224031889 QENONRVZZIZWKZ-QFIPXVFZSA-N 396.531 3.832 0 40 GHAB COc1ccc(/C=C/C(=O)NCCOc2cc(C)cc(C)c2)c(OC)c1OC 224056383 ZOYLAVMIJAPACR-VQHVLOKHSA-N 385.460 3.538 0 40 GHAB COC(=O)[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccccc2O1 225898756 KZLYRMVVSYPZED-GOSISDBHSA-N 398.802 3.576 0 40 GHAB CCCCOc1cccc(C(=O)Nc2cc(N3CCOCC3)c(N)cc2C)c1 226264321 ZKZDBYQQZSXKII-UHFFFAOYSA-N 383.492 3.845 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Cl)cc1 227152387 ZOGJUJARKOKHFN-CQSZACIVSA-N 385.851 3.618 0 40 GHAB O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 243057114 IIFXTFODGMHHAW-GFCCVEGCSA-N 381.234 3.802 0 40 GHAB COc1cccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c1 243728173 PRXXOQYEKHZIEQ-UHFFFAOYSA-N 390.505 3.532 0 40 GHAB Cc1noc(C)c1-c1cnc(CC[C@H]2CCCN2Cc2ncccc2F)cn1 257264429 LUHYUOYOYSWYPS-QGZVFWFLSA-N 381.455 3.880 0 40 GHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 306132615 LNWROMASFRUGQM-FPOVZHCZSA-N 383.444 3.841 0 40 GHAB COc1cccc(NC(=O)CNC(=O)c2ccc(COc3ccccc3C)o2)c1 408560496 CYTBMBMUIUECTI-UHFFFAOYSA-N 394.427 3.544 0 40 GHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O 409095243 BOIDTEVTPQQLQO-KXUVPBGPSA-N 375.377 3.684 0 40 GHAB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(C)c4ccccc4)[C@H]3C2=O)cc1 409371929 JWHUQKBNRDVHRQ-SEIRJHJZSA-N 399.446 3.868 0 40 GHAB O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)N1CCC(c2ccncn2)CC1 575352050 YLLMORIQEOOVJA-UHFFFAOYSA-N 382.855 3.727 0 40 GHAB CN(CCc1nc(-c2ccccc2)no1)C(=O)Cc1ccc(-n2cccc2)cc1 576615728 AROJJIUGCOKOKA-UHFFFAOYSA-N 386.455 3.771 0 40 GHAB CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2nc(C3CC3)no2)CC1 600866021 HQRHRIMWKBXZCK-SFHVURJKSA-N 397.475 3.536 0 40 GHAB CCC(=O)N1CCC2(CCCCCc3ccccc3OCCCNC2=O)CC1 643589007 LRBDKDYCZPNDSB-UHFFFAOYSA-N 386.536 3.707 0 40 GHAB CC(C)[C@@H](Oc1ccc(Br)cc1)c1noc([C@@H]2CCN(C)C2=O)n1 671670765 RRKDTTPJHSUUON-UONOGXRCSA-N 394.269 3.554 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)Cc2cccc3cnccc23)cc1 1526843883 UAAODLKFHUQNCT-INIZCTEOSA-N 375.472 3.622 0 40 GHAB CC(C)CN1C(=O)C2(CCN(Cc3cn(C)cn3)CC2)C[C@H]1Cc1ccccc1 1615157075 OGGXJZYFVASELP-JOCHJYFZSA-N 394.563 3.502 0 40 GHAB COc1ccc(Cn2c(=O)c3sccc3n(CC3CCCCC3)c2=O)cc1 2087121304 MEQNRQQYKYAGIM-UHFFFAOYSA-N 384.501 3.862 0 40 GHAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 935459 OYYDDTSJKLGDLR-LLVKDONJSA-N 378.222 3.642 0 40 GHAB CN(C)c1ccc(C(=O)N2N=C(C3CCCCC3)C[C@@]2(O)C(F)(F)F)cc1 979777 PMAJCYXPJYJKFR-GOSISDBHSA-N 383.414 3.786 0 40 GHAB CC(C)c1nc2ccccc2c2nnc(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)n12 1327784 WCWZTDRXMVLPMA-HUUCEWRRSA-N 397.548 3.998 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)c(C)c1 1362783 IZNJCMAZNRPOMR-MRXNPFEDSA-N 395.532 3.953 0 40 GHAB O=C(CN1[C@H]2CCC[C@H]1CC(NC(=O)C1CCCCC1)C2)Nc1ccccc1 1371980 AHGGYFONJMNZIQ-SFTDATJTSA-N 383.536 3.707 0 40 GHAB CC(=O)c1ccccc1C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 78903086 CVDPPEMJBGXKIG-UHFFFAOYSA-N 396.462 3.505 0 40 GHAB CCOc1ccc2nc(NC(=S)NC(=O)c3ccc(F)cc3)sc2c1 3203312 SUMFERFORKQSJM-UHFFFAOYSA-N 375.450 3.961 0 40 GHAB COc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccccc2)cc1 3293059 KTWULXCRBHIMIT-UHFFFAOYSA-N 396.516 3.807 0 40 GHAB COc1ccc(C(=O)COC(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 3522737 LICLWWWGQMANLP-UHFFFAOYSA-N 381.384 3.707 0 40 GHAB CCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1cccnc1 4161409 AHUYGNNKNWSXTO-UHFFFAOYSA-N 397.504 3.880 0 40 GHAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 23152760 CKZWYGJDXXFGNA-UHFFFAOYSA-N 381.745 3.516 0 40 GHAB COc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccco3)n2C)C(C)C)cc1 12471241 KBNPRVZBIGVBBK-MRXNPFEDSA-N 386.477 3.839 0 40 GHAB Cc1nc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1Br 6571286 KTKWOXLSIFKNGX-UHFFFAOYSA-N 384.686 3.933 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Cl)cc1 940450 OLDZJJZGNVJIEE-SFHVURJKSA-N 395.850 3.868 0 40 GHAB O=C(Cn1c(-c2ccccc2)c(-c2ccccc2)nnc1=O)OC1CCCCC1 6677997 DVBLDVGCSUIPDJ-UHFFFAOYSA-N 389.455 3.848 0 40 GHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 6709353 JAFSNDQIFZGSSK-UHFFFAOYSA-N 385.489 3.949 0 40 GHAB Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 7378442 VBFNJSVVAJZCJX-UHFFFAOYSA-N 382.485 3.716 0 40 GHAB Cc1cc(C)n2nc(C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)nc2n1 7783246 NNDRKFROUGWSFE-GOSISDBHSA-N 391.862 3.914 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c(C)c1 8041673 XUIQZVZTGMMCHT-ROUUACIJSA-N 396.487 3.618 0 40 GHAB CCc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 8088116 XBVZALNGSVNMML-UHFFFAOYSA-N 388.533 3.897 0 40 GHAB CCOc1cc(CNn2c(-c3ccccc3OC)n[nH]c2=S)ccc1OC 8254372 AESXOMNJRSAZQZ-UHFFFAOYSA-N 386.477 3.767 0 40 GHAB Oc1ccc(Nc2nc(Nc3nccs3)nc(Nc3nccs3)n2)cc1 8857484 SZSVTFVBNOBNPL-UHFFFAOYSA-N 384.450 3.721 0 40 GHAB O=C(O)c1cc(NS(=O)(=O)c2ccc(Br)s2)ccc1Cl 37642017 SMXBSNWKOWPSEB-UHFFFAOYSA-N 396.671 3.663 0 40 GHAB COc1cccc(-c2nnc(S[C@H]3CCCCNC3=O)n2-c2ccccc2)c1 12527712 CNFKABIUZUHOAO-SFHVURJKSA-N 394.500 3.704 0 40 GHAB Cc1cn2c(/C=C3\N=C(c4cccc(OC(F)F)c4)OC3=O)c(C)nc2s1 12506122 SFURHGDURMROEV-QPEQYQDCSA-N 389.383 3.959 0 40 GHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cc(=O)oc2cc(C)c(C)cc12 25500380 YDUAKOMOLBDUCG-UHFFFAOYSA-N 389.455 3.668 0 40 GHAB CC(C)(C)c1ccc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 12525589 JAZVMCVKOBRDLC-UHFFFAOYSA-N 399.516 3.517 0 40 GHAB CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1OC 12556148 QXLVLYVPGZXRTM-IERDGZPVSA-N 382.460 3.839 0 40 GHAB CC1(C)CC[C@@H](NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c2ccccc21 58005621 FNAAKYLSRFWVBY-HXUWFJFHSA-N 398.528 3.670 0 40 GHAB Cc1ccc(C)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1 3297206 YYPXJDJAZRJKRM-UHFFFAOYSA-N 392.546 3.721 0 40 GHAB CC(C)CCC(=O)N1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 59852478 WZXWMIGDXGQFDB-UHFFFAOYSA-N 375.271 3.853 0 40 GHAB O=C(Nc1nccs1)C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 58405725 IQRFUDOCSBPZAJ-CABCVRRESA-N 389.908 3.777 0 40 GHAB Cc1ccc2c(C)nc(NC3=NCN(Cc4ccc(Cl)cc4)CN3)nc2c1 20634316 NMVBZEJSPJSYSU-UHFFFAOYSA-N 380.883 3.688 0 40 GHAB O=C(O)[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(n1ncc(Nc2ccccc2)c(Cl)c1=O)C3 2339581 NJFDYXSROPTPFM-HXJMXURKSA-N 399.878 3.876 0 40 GHAB O=C1SCCN1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 12785756 RQDBGCMDBJNJEH-AWEZNQCLSA-N 375.519 3.909 0 40 GHAB C[C@@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 12769286 NRTJDDXXOSMKHB-CYBMUJFWSA-N 381.501 3.673 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(-c2ccco2)nn1-c1ccccc1 22018848 RWVBGMFLZOGQNQ-UHFFFAOYSA-N 385.383 3.554 0 40 GHAB CCCCNC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3318713 PICRWJFGSQLJDF-UHFFFAOYSA-N 377.444 3.612 0 40 GHAB Cc1cc(C)n(CCCNC(=O)c2cccnc2SCc2c(C)noc2C)n1 28777850 FLLQAAFZEIMNPU-UHFFFAOYSA-N 399.520 3.612 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1 10112421 NKPOUICPZSJGAJ-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(C)nn32)cc1 10434283 MVHHOPAVLYOSIJ-HXUWFJFHSA-N 389.459 3.831 0 40 GHAB CC(=O)Nc1ccc(CNC(=O)NCCSc2ccc(Cl)cc2)cc1 29325526 DYFASKXOVQXVPT-UHFFFAOYSA-N 377.897 3.890 0 40 GHAB O=C(CN1CSCC1=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1 12809611 OKVNLRRFBJLXRF-UHFFFAOYSA-N 380.391 3.844 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1ccc(Br)cc1)c1cccc(F)c1 12809050 QAGAELFEGMCROT-MRXNPFEDSA-N 388.240 3.841 0 40 GHAB CN(Cc1ccc(F)cc1)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 12901507 OWDFCUBJVAFJTE-UHFFFAOYSA-N 394.233 3.501 0 40 GHAB O=C(O)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 6283345 JZZXOBTUKNMQJI-UHFFFAOYSA-N 386.498 3.893 0 40 GHAB CCc1ccc2[nH]c(C)c(CC(=O)NCCc3ccc(OC)c(OC)c3)c2c1 13940632 BJAHDSZYIVKWDE-UHFFFAOYSA-N 380.488 3.957 0 40 GHAB O=C(Nc1ccccc1F)C1CCC(Cn2cnc3ccccc3c2=O)CC1 5205480 MNKQLSHQSBXLRS-UHFFFAOYSA-N 379.435 3.981 0 40 GHAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(C2SCCCS2)cc1 14014435 QBNOKNIHMRLCJY-UHFFFAOYSA-N 380.579 3.932 0 40 GHAB Cc1cc(C)n(CCCNC(=O)c2cccc(OCc3c(C)noc3C)c2)n1 14135627 UPOCAUZBHQABRI-UHFFFAOYSA-N 382.464 3.504 0 40 GHAB O=C(COC(=O)COc1ccc(Cl)cc1Cl)NCCC1=CCCCC1 5655405 GKOZACSELLPSAD-UHFFFAOYSA-N 386.275 3.922 0 40 GHAB Cc1ccsc1CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 6810250 UNAMKLADIFFUCM-OAHLLOKOSA-N 383.922 3.539 0 40 GHAB O=c1cc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c2ccc(O)cc2o1 6933310 AMPXGCZSEPCBKG-UHFFFAOYSA-N 396.380 3.570 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(Br)cc2)c(OC)c1OC 7069724 YUUQPQIIBQOYOU-UHFFFAOYSA-N 380.238 3.656 0 40 GHAB C[C@H](Nc1ncc(Br)cn1)c1cc(F)ccc1N1CCC(O)CC1 67372473 GZWFAYSQZZQMGC-NSHDSACASA-N 395.276 3.512 0 40 GHAB CCc1ccc(Nc2nc(NCC(=O)O)nc(Nc3ccc(CC)cc3)n2)cc1 7498216 VIBVQRSZJXVLAI-UHFFFAOYSA-N 392.463 3.980 0 40 GHAB CS(=O)(=O)c1cc(C(=O)N[C@H]2CCSc3ccc(F)cc32)ccc1Cl 16110505 AXOPENQHSVDVRH-AWEZNQCLSA-N 399.896 3.850 0 40 GHAB CCC[C@@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(OCC)cc2)c1 16601634 LKGLDIXOKSTWPN-OAHLLOKOSA-N 390.505 3.805 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(F)cc1 8216117 KXBXCDZIHXMQHQ-QFIPXVFZSA-N 389.430 3.997 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1cc(F)cc(N2CCCC2)c1)c1cccs1 69367252 SWIRFKKESIRNFI-KRWDZBQOSA-N 375.469 3.693 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cn1 28431906 SWOZGZMRBISFKX-HNNXBMFYSA-N 394.258 3.640 0 40 GHAB CCN(CC)[C@H](CNC(=O)COc1ccc(OC)cc1)c1ccccc1Cl 18227290 WGWTUKKQXJDMPC-HXUWFJFHSA-N 390.911 3.927 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Br)cn3)cc2)n1 27970404 MRGVIJQUOMNGHZ-UHFFFAOYSA-N 385.265 3.958 0 40 GHAB Cn1nc2c(c1NC(=O)Cn1ccc3cc(Br)ccc31)CSC2 72402843 BBFSQGSIJUPQIF-UHFFFAOYSA-N 391.294 3.523 0 40 GHAB CCCC[C@@H](NC(=O)CCC(=O)c1ccc(OC)c(F)c1)C(=O)OC(C)(C)C 95943406 NOCDCJQZHOGEHE-MRXNPFEDSA-N 395.471 3.814 0 40 GHAB Cc1cc(C(=O)NCC2(c3ccccc3)CCCCC2)ccc1-n1cnnn1 25252182 HMYUXSPVLGRHOT-UHFFFAOYSA-N 375.476 3.603 0 40 GHAB COc1ccc2c(c1)OC[C@@H](C(=O)NCc1ccc(Oc3ccccc3)nc1)C2 89467007 XMJWWAAHRFXAEN-SFHVURJKSA-N 390.439 3.750 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)NCc2cccs2)CC1 56908022 DBTGUIAZPXDSOI-UHFFFAOYSA-N 395.532 3.582 0 40 GHAB O=C(NCCOc1cc(N2CCCC2)ncn1)Nc1ccc(Cl)c(Cl)c1 36708021 PLJLADBITUBRDY-UHFFFAOYSA-N 396.278 3.584 0 40 GHAB O=C(Cn1c(SC(F)F)nc2ccccc21)Nc1ccc2c(c1)OCCO2 37116026 IQBNECXHRVQWDD-UHFFFAOYSA-N 391.399 3.761 0 40 GHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1ccccc1C(F)(F)F 38622867 KRAJIXHRTSEUHT-OAHLLOKOSA-N 399.438 3.962 0 40 GHAB CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1=O 35317062 HGIUNPSORHWHKN-INIZCTEOSA-N 384.451 3.990 0 40 GHAB O=C(Nc1cc(Cl)ccc1Cl)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655743 UHPHGDZIYGANTR-UHFFFAOYSA-N 385.197 3.982 0 40 GHAB COc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(OC(C)C)cc2)cc1OC 72329299 QZTILBQHMKYISN-UHFFFAOYSA-N 395.459 3.811 0 40 GHAB CC(C)(C)[C@H](NC(=O)NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)c1ccccc1 566714691 PLNLFDAXWBGEBM-JETSIKKBSA-N 380.532 3.582 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 222817232 BGUPCCNAWRLWDU-GOSISDBHSA-N 396.531 3.915 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 224847219 SSYSGASDLFLTBO-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB CCc1coc(NC(=O)c2cc(C(=O)OC(C)(C)C)n(-c3ccccc3)n2)n1 568410253 GWCSODMUCOIPRE-UHFFFAOYSA-N 382.420 3.630 0 40 GHAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(OC)c(C)c2C)c1 224865017 IUYSYEGIZUGLGN-UHFFFAOYSA-N 383.853 3.553 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1F 222946971 ZXZRKDNAHMWLLL-NRFANRHFSA-N 384.495 3.743 0 40 GHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)c(OC)c1 224823711 ZAFKSZQETZOULZ-PMACEKPBSA-N 394.500 3.912 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl 223832868 HPUCYEAESORNLQ-ZDUSSCGKSA-N 394.849 3.714 0 40 GHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC[C@@H]1COc2ccccc2O1 225267249 ROGWYWZOMQEIIY-IEBWSBKVSA-N 377.440 3.953 0 40 GHAB CCOc1ccc(NC(=S)N2CCN(C3Cc4ccccc4C3)CC2)cc1 225212416 LAYAKXZKZFOZMX-UHFFFAOYSA-N 381.545 3.567 0 40 GHAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(Br)cc1 223724734 OWBSBZQHRYDSEH-UHFFFAOYSA-N 384.295 3.669 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 225008657 FOVDSKMNQBHWLF-RBUKOAKNSA-N 382.504 3.706 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 224286814 BJWXMWSUULWWMU-UHFFFAOYSA-N 389.408 3.608 0 40 GHAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 44847619 GHCARRJDIGTPKQ-LSDHHAIUSA-N 394.924 3.680 0 40 GHAB CC(C)N1CCN(c2ccc3ccc(C(=O)NCCc4cccs4)cn23)CC1 96156088 IPKKDENWXQVIKA-UHFFFAOYSA-N 396.560 3.504 0 40 GHAB Cc1ccc2nc(C[C@H]3CN(C(=O)C4CCCCC4)CC[C@H]3CC(=O)O)[nH]c2c1 514288367 BERMMFRESKQAOI-ROUUACIJSA-N 397.519 3.934 0 40 GHAB biogenic,in-vitro CC(C)(C)OC(=O)N1CCC(N2Cc3ccc(Br)cc3C2=O)CC1 95097792 BEFNLBNPPWUQAA-UHFFFAOYSA-N 395.297 3.804 0 40 GHAB COc1ccc(C(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)cc1Cl 585085791 HIDXQZUCTFBXSA-INIZCTEOSA-N 384.863 3.914 0 40 GHAB C[C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)c1ccc2c(c1)CCC2 26266025 CYJVNPLIEMYRDA-OAHLLOKOSA-N 393.512 3.666 0 40 GHAB Cc1cccc(C)c1[C@@H]1CCCN1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 664185900 NZSZGZKWYIMFSI-MSOLQXFVSA-N 381.524 3.880 0 40 GHAB O[C@@H]1[C@@H](NC2CCN(Cc3ccccc3)CC2)CCC[C@H]1Oc1cccc(F)c1 585289689 LWWAZAFXMAZUPK-RBZQAINGSA-N 398.522 3.741 0 40 GHAB C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C[C@H](C)O1 44812648 VQAFUHZZXZWUCB-STQMWFEESA-N 391.265 3.886 0 40 GHAB O=C(CCc1cnn[nH]1)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 1584602522 QCILTCPPIXNJSE-UHFFFAOYSA-N 377.379 3.856 0 40 GHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)c4csc(C)c4)nn3cn2)cc1 12085110 YOIRZFDSBNFLQF-CYBMUJFWSA-N 393.472 3.661 0 40 GHAB O=C(O)c1sc(-c2ccccc2)cc1NC(=O)[C@@H]1COc2ccccc2O1 12613395 JFCGISBOSDCLEW-INIZCTEOSA-N 381.409 3.892 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 12925502 CWEXTEADEBRMSG-UHFFFAOYSA-N 384.476 3.760 0 40 GHAB CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1cc(C2CC2)nn1C 19288846 GJMFYINRIXCJAU-WPYKKVEZSA-N 392.547 3.780 0 40 GHAB O=c1cc([C@H]2CCCCN2Cc2ccc(F)c(F)c2)nc(-c2ccncc2)[nH]1 19292933 CHLVKTUJARVFLE-LJQANCHMSA-N 382.414 3.837 0 40 GHAB O[C@@H](c1nccs1)c1cccc(F)c1N1CCN(CCc2ccccc2)CC1 19371323 XFQDQHMHBKJEAD-OAQYLSRUSA-N 397.519 3.729 0 40 GHAB C[C@H](NC(=O)[C@@H](C)c1ccccc1)c1nc2cc(-c3ccccc3F)ncn2n1 19459443 YFLRMUJMXVKKGS-GJZGRUSLSA-N 389.434 3.911 0 40 GHAB Cc1ccc2c(CC(=O)N3CCC(c4cc(CN(C)C)n[nH]4)CC3)coc2c1C 19708928 ONWOBMMDEBUKEM-UHFFFAOYSA-N 394.519 3.783 0 40 GHAB O=S(=O)(Cc1ncc(Br)cc1Cl)C[C@@H]1CC[C@H]2C[C@H]2C1 621995522 CEAOBDQXOLRPEI-OUAUKWLOSA-N 378.719 3.849 0 40 GHAB C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1)c1cccs1 257330266 XNQGIJNWUJOFKG-DJSSIZSOSA-N 395.528 3.913 0 40 GHAB Cc1nc(C)c(CN2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)s1 1888882244 GRHBDQMOJZOSSD-UHFFFAOYSA-N 382.533 3.690 0 40 GHAB O=C(OCc1ccccc1)c1ccc(-c2nnn(Cc3ccccc3F)n2)cc1 665956 RDJXMXKOKWTLQZ-UHFFFAOYSA-N 388.402 3.885 0 40 GHAB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)N1CC=C(c2ccccc2)CC1 3043639 LQDCAORBCZDGKQ-UHFFFAOYSA-N 391.496 3.765 0 40 GHAB O=C(CSc1nccn1Cc1ccc2c(c1)OCO2)Nc1ccccc1F 4248831 GTNGYMSUOPKGRI-UHFFFAOYSA-N 385.420 3.530 0 40 GHAB O=C(C1CC1)N1CCCc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21 5099576 XCRXLQPBODHCKG-UHFFFAOYSA-N 390.892 3.830 0 40 GHAB COC(=O)c1ccc(Cn2nc(-c3cccs3)c3sc(C)nc3c2=O)cc1 8956053 VPPKTZUETNZSTM-UHFFFAOYSA-N 397.481 3.725 0 40 GHAB COc1ccccc1[C@@H]1c2c(C)n[nH]c2C(=O)N1CCc1c[nH]c2ccccc12 9420676 HTRRDYZCRONCQK-JOCHJYFZSA-N 386.455 3.996 0 40 GHAB O=C(c1ccc(Oc2ccccc2)cc1)N1CC(c2nc(-c3ncccn3)no2)C1 49483017 MFADUNPNTBPGNQ-UHFFFAOYSA-N 399.410 3.559 0 40 GHAB O=C(c1ccccc1F)N1CCC(CNC(=O)C2(c3ccc(F)cc3)CC2)CC1 49523848 QFJOVSNSQSYKQP-UHFFFAOYSA-N 398.453 3.665 0 40 GHAB O=C(NCc1ccc(Cl)cc1)N1CC(Oc2cccc(C(F)(F)F)n2)C1 575608292 SCJHCEUVGLHTDZ-UHFFFAOYSA-N 385.773 3.727 0 40 GHAB O=C(NCCn1cc(-c2ccco2)cn1)c1cc(Br)ccc1Cl 575614688 BENLUGIRFJFBEJ-UHFFFAOYSA-N 394.656 3.989 0 40 GHAB COc1ccccc1[C@@H](C)N(C)C[C@H](O)COc1ccc(Br)cc1 40086147 OPSPEHSVYNPRMJ-ZBFHGGJFSA-N 394.309 3.890 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 40042661 CIHWLVPPSWDIDW-IEBWSBKVSA-N 382.460 3.504 0 40 GHAB Cc1ccc(-c2ccc(NC3CCCC3)nn2)cc1S(=O)(=O)N1CCCC1 20096131 YBHIENQVQVYJCN-UHFFFAOYSA-N 386.521 3.591 0 40 GHAB CSc1nccn1-c1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 40135759 QMVAJZXEKAAXFP-UHFFFAOYSA-N 392.484 3.973 0 40 GHAB Cc1ccc(-c2nc(C)c(C(=O)NC[C@@H](O)c3ccc(F)c(F)c3)s2)o1 31414223 ACMOUCKEFBKBDR-CQSZACIVSA-N 378.400 3.762 0 40 GHAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)cc1 40484530 BJGRUPMDLPABGS-SFHVURJKSA-N 395.850 3.868 0 40 GHAB O=C(NCc1ccc(F)cc1)c1nnc(CN2CCCc3ccccc32)s1 32777946 ITJHXDSUGXBQML-UHFFFAOYSA-N 382.464 3.560 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccccc1)NCc1cc(Br)cs1 52432190 KLEZHKGRAKCUKH-MRXNPFEDSA-N 379.323 3.964 0 40 GHAB OCCOCCNc1ncnc2cc(-c3ccc(Br)cc3)sc12 32806234 CQCZIPYJZSHMFR-UHFFFAOYSA-N 394.294 3.542 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)N(Cc1ccco1)c1nccs1 32925561 PSKIVRQMZXTLQS-UHFFFAOYSA-N 386.429 3.560 0 40 GHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CN1C(=O)CSc2ccccc21 21915229 NPUNSFZHOVUATL-UHFFFAOYSA-N 394.418 3.803 0 40 GHAB COc1ccc(N(C(=O)c2ccoc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 646787 CTIKFGYBOLTWHN-UHFFFAOYSA-N 391.832 3.977 0 40 GHAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2)cc1 872584 KONDTSXUTNOYCV-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB CC(C)OC(=O)c1ccc(Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 957787 ZBCPOQQUTVKRTM-UHFFFAOYSA-N 382.485 3.950 0 40 GHAB Cc1cc(C)cc(C[C@H](C)CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 2116316 SOEFXGRFVYTYCH-TYPHKJRUSA-N 378.516 3.680 0 40 GHAB biogenic CCOC(=O)[C@](NC(=O)Nc1ccc(O)cc1)(c1ccccc1)C(F)(F)F 2307975 XNQRDTCMTZHLJL-QGZVFWFLSA-N 382.338 3.535 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CSCC(=O)N3CCCCC3)n2)cc1 2723362 DGDQHSAWGRTQMK-UHFFFAOYSA-N 389.546 3.803 0 40 GHAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1ccc(N2CCOCC2)cc1 3331160 DOXFVIALGFJASM-UHFFFAOYSA-N 396.516 3.911 0 40 GHAB O=C(COC(=O)c1ccc(F)cc1F)Nc1ccc(Br)cc1F 3369158 GCVIJYONECGDBA-UHFFFAOYSA-N 388.139 3.662 0 40 GHAB CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1ccc(C)cc1Cl 3477090 SNFIYGKQNFGHLP-UHFFFAOYSA-N 389.883 3.556 0 40 GHAB O=c1cc(CSc2nnc(C3CC3)n2-c2ccccc2)nc2sccn12 3522910 WIRYYAVPUKTMNZ-UHFFFAOYSA-N 381.486 3.506 0 40 GHAB Cc1ccc(-c2nnc3ccc(SCC(=O)OCc4ccccc4)nn23)cc1 4164862 NEOWPFOXQKIWQD-UHFFFAOYSA-N 390.468 3.935 0 40 GHAB COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1 4169120 ZRYNHZLONNSHFQ-IBGZPJMESA-N 393.439 3.623 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 4762889 OXHKAUUAKMKTQU-SFHVURJKSA-N 379.416 3.731 0 40 GHAB COc1cccc(NC(=S)N2CCC(NC(=O)c3cccc(C)c3)CC2)c1 4857622 HDYJLRFKKIJTHS-UHFFFAOYSA-N 383.517 3.595 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N[C@H](C)c3ccccc3)o2)c1 5294739 MAEXOOUOKZOQOM-OAHLLOKOSA-N 383.473 3.927 0 40 GHAB CCCC(=O)N[C@](Nc1ccc(F)c(Cl)c1)(C(=O)OCC)C(F)(F)F 5645502 NXTHGGRFKVOGMW-CQSZACIVSA-N 384.757 3.629 0 40 GHAB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(OC)c1OC 6324833 USUYNGZLBKTCAE-IXMFVRRYSA-N 378.494 3.802 0 40 GHAB C[C@H](Sc1ccccc1Cl)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 6351997 VHJAQJQNQRPBCT-LBPRGKRZSA-N 398.937 3.710 0 40 GHAB O=C(Cc1nc2c(c(=O)[nH]1)[C@H]1CCCC[C@H]1S2)Nc1ccc(Cl)cc1 6448265 LWIPSMDAUJHFOB-QWHCGFSZSA-N 375.881 3.736 0 40 GHAB NS(=O)(=O)c1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 6831344 POFITGHTOZHQAD-UHFFFAOYSA-N 399.497 3.935 0 40 GHAB CC(C)(C)c1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 7197998 OSLLELWBMKVSLB-UHFFFAOYSA-N 398.478 3.629 0 40 GHAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1cc(Cl)ccc1-n1cncn1 8053149 NQVPERXIXBGVJK-BQYQJAHWSA-N 395.271 3.987 0 40 GHAB COc1cccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 8310295 KJALLAUPVUNDNE-IBGZPJMESA-N 382.460 3.632 0 40 GHAB CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)c1 8325447 YPANFPDXIUHUJQ-FQEVSTJZSA-N 393.439 3.773 0 40 GHAB CC1CCN(C(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C)c2=O)CC1 8844319 WTFVIUBTQSLAKD-UHFFFAOYSA-N 387.483 3.986 0 40 GHAB COc1ccccc1-c1nc2c3c(C)c(C)n(-c4nccs4)c3ncn2n1 9418463 GKOHVHRJQUVXBW-UHFFFAOYSA-N 376.445 3.817 0 40 GHAB C[C@H]1Cc2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2N1S(C)(=O)=O 10324186 UIIWZKOKYJKLIA-JTQLQIEISA-N 399.299 3.956 0 40 GHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)C[C@H]2NC(=O)c3ccccc32)n1 12227343 SYCYLBXVIKZMLU-SJORKVTESA-N 397.525 3.788 0 40 GHAB O[C@@H](CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 12292385 CRMSHVIQUFDNBL-SFHVURJKSA-N 383.385 3.862 0 40 GHAB CCOC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 12543178 UNONYSHEDYDBJY-UHFFFAOYSA-N 396.491 3.568 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)Cc3ccc4c(c3)CCCC4)CC2)cc1 12568687 TUGNGQTXIVTBNB-UHFFFAOYSA-N 376.500 3.659 0 40 GHAB O=C(Cn1ccccc1=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 12735993 VNOZRTNDFIREOL-UHFFFAOYSA-N 393.390 3.553 0 40 GHAB O=C(CNc1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12739518 GEORHOXPQWJBFQ-UHFFFAOYSA-N 395.772 3.990 0 40 GHAB CCOC(=O)c1sc(NC(=O)CSc2nncc3ccccc23)cc1C 12756561 KWFRJBNMEFFULH-UHFFFAOYSA-N 387.486 3.907 0 40 GHAB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccccc1OC(F)F 12771007 XXJFZMVESIXCQX-INIZCTEOSA-N 382.407 3.847 0 40 GHAB Cc1cccc2sc(NC(=O)CCn3nc(-c4cccs4)oc3=O)nc12 12794536 RIUSPXDFCZKGLT-UHFFFAOYSA-N 386.458 3.512 0 40 GHAB Cc1ccc(-c2noc(CSc3nnc(NC[C@@H]4CCCO4)s3)n2)cc1 12846490 YEZQJRWSWDQRRG-ZDUSSCGKSA-N 389.506 3.780 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)c1C 12892379 UMSDFENGQWSKAT-UHFFFAOYSA-N 383.517 3.644 0 40 GHAB CCc1noc(C)c1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 13329577 IGWOMIYNUOVGDF-UHFFFAOYSA-N 399.472 3.871 0 40 GHAB CCN1CCN(c2ccccc2NS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 14101081 FVHAKKKJWIXSJL-UHFFFAOYSA-N 399.560 3.508 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)cc2)n1 14184435 MWJLXWYDLOBUDM-UHFFFAOYSA-N 385.471 3.947 0 40 GHAB CCOc1ccc2nc(NC(=O)Cn3cc(C(F)(F)F)ccc3=O)sc2c1 14241479 VCHLACGDPXRYDM-UHFFFAOYSA-N 397.378 3.514 0 40 GHAB O=C(Nc1ccccc1O)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 16112023 XQPMABCRSNCOSU-JXMROGBWSA-N 384.863 3.936 0 40 GHAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2cccnc2N2CCCC2)cc1 16289746 ZATHIVPIAWHRTK-UHFFFAOYSA-N 381.476 3.775 0 40 GHAB Cc1nnc(NC(=O)CCc2csc(NC(=O)Nc3ccccc3)n2)s1 16848997 DHYNOCHZPODIDG-UHFFFAOYSA-N 388.478 3.518 0 40 GHAB COc1cc(C)c(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1OC 17579170 GCVFHFAKNCQYGP-FQEVSTJZSA-N 384.457 3.580 0 40 GHAB Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1C 19213854 PMKLXGKHCNUCFO-FQEVSTJZSA-N 376.456 3.934 0 40 GHAB Cc1ccc2c([C@@H](O)CN3CCC4(CC3)C[C@@H](O)c3ccccc3O4)c[nH]c2c1 19219731 ZYDWBRSMUBUSOY-YADHBBJMSA-N 392.499 3.860 0 40 GHAB O=C(c1cc([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)no1)N1CCCC1 19292908 ZSFAHYOEARSWAE-HNNXBMFYSA-N 375.419 3.568 0 40 GHAB Fc1ccc(CN2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc1F 19344979 LTMYJVFLTFCUAN-AWEZNQCLSA-N 375.448 3.592 0 40 GHAB COCCCNc1nnc(-c2ccccc2OC)c(-c2ccccc2OC)n1 19593329 ZYYQVAAXPKTROX-UHFFFAOYSA-N 380.448 3.671 0 40 GHAB CC1(C)CC(=O)c2cnc(NC(=O)COc3ccc(Cl)cc3Cl)nc2C1 20633841 REPXNQCESTWTTE-UHFFFAOYSA-N 394.258 3.956 0 40 GHAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 20714306 FZEUTLHCQZPFKO-VXCXHNOLSA-N 393.531 3.736 0 40 GHAB COc1ccc(-c2nnc3n2N=C(c2ccc(OC(F)F)cc2)CS3)cc1 22764433 NJMCBEOHNOIGEV-UHFFFAOYSA-N 388.399 3.913 0 40 GHAB COc1ccc(-c2ccc(=O)n(Cc3nc(-c4cccc(Cl)c4)no3)n2)cc1 23126872 GABQPCZGPPPIFS-UHFFFAOYSA-N 394.818 3.671 0 40 GHAB O=C(NCc1ccccn1)c1csc(Nc2ccc(OC(F)F)cc2)n1 23136851 KKKCDEZZYAUYRI-UHFFFAOYSA-N 376.388 3.813 0 40 GHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)CC(=O)NC(C)(C)C 24644583 AZXFTHSYDUIZDQ-UHFFFAOYSA-N 379.913 3.759 0 40 GHAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cc(C)cc(C)c1 24774699 HESNKCWPUANJBT-QHCPKHFHSA-N 391.471 3.631 0 40 GHAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cnc(Cl)c(Cl)c1 24832276 SQEHFYKTTCDSJO-UHFFFAOYSA-N 378.259 3.553 0 40 GHAB C[C@@H](C(=O)N(C)Cc1ccccc1Br)n1c(=O)oc2ccccc21 30550653 FBJJHUNMSMRADN-LBPRGKRZSA-N 389.249 3.577 0 40 GHAB CN1C(=O)c2ccc(C(=O)Oc3ccc(C4SCCS4)cc3)cc2C1=O 32427228 XNQSLBBHOUPUGY-UHFFFAOYSA-N 385.466 3.610 0 40 GHAB O=C(NCCOc1ccccc1F)N1CC=C(c2c[nH]c3ncccc23)CC1 32794819 BQKHGUVXXXVECK-UHFFFAOYSA-N 380.423 3.580 0 40 GHAB Cc1ccc(-c2noc(CN3CCN(c4nc5ccccc5s4)CC3)n2)cc1 32819981 RDYPBACEQZDRBF-UHFFFAOYSA-N 391.500 3.977 0 40 GHAB CCOc1ccc(NC(=O)CSCc2cc(=O)c3cc(OC)ccc3[nH]2)cc1 33064227 PMLXXAFOYMGMMG-UHFFFAOYSA-N 398.484 3.807 0 40 GHAB CCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@H](C)CC)C2=O)cc1 35648430 CHJJPBZLESNBNE-RKQBDJAKSA-N 379.503 3.786 0 40 GHAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc2c(s1)CC[C@H](C)C2 36185315 YTRZXIHPNWHZCW-AWEZNQCLSA-N 386.517 3.982 0 40 GHAB O=C(Cn1cccn1)Nc1ccc(OCc2ccc(Br)cc2)cc1 36397541 XLSNLYBZYIYGNI-UHFFFAOYSA-N 386.249 3.863 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 37021581 UYZVHJQLIFLLHP-KDOFPFPSSA-N 394.924 3.762 0 40 GHAB CC(C)(C)c1noc(CCCC(=O)Nc2ccc(Oc3cnccn3)cc2)n1 40112575 PXKFISMRCYMVCF-UHFFFAOYSA-N 381.436 3.911 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)NC(=O)c1ccc(Br)o1 40155357 FHECNRIQPMUOIY-SECBINFHSA-N 385.645 3.761 0 40 GHAB CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)c1ccc(C)cc1 44846385 FBSAINNKZGVHQH-MRXNPFEDSA-N 380.897 3.901 0 40 GHAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2oc(C3CC3)nc2c1 46392771 AMPDHCJQZASFMA-UHFFFAOYSA-N 390.848 3.771 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCC[C@@H]1c1ccsc1 47734189 IYQPSBMKHBRIMN-GOSISDBHSA-N 380.473 3.722 0 40 GHAB C[C@@H](C(=O)NC1CCCCC1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 52872769 RAELWKXFDAHTAO-AWEZNQCLSA-N 378.463 3.697 0 40 GHAB O=C(CCc1ccccc1F)NCc1cccc(NC(=O)c2ccncc2)c1 55986665 LWDHUEAMQMXHBB-UHFFFAOYSA-N 377.419 3.722 0 40 GHAB CCCn1c(SCC(=O)N2CCc3ccccc32)nc2ccsc2c1=O 57425297 GGNPHPUSTANCJD-UHFFFAOYSA-N 385.514 3.549 0 40 GHAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2nc[nH]c(=O)c2c1 58032267 MJQMYZVKXNFMNE-VIFPVBQESA-N 378.215 3.636 0 40 GHAB Nc1nc2c(ncn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 65748993 JPRZNDHSBUBJNH-UHFFFAOYSA-N 393.450 3.542 0 40 GHAB in-vitro COc1ccccc1CN(Cc1noc(-c2cccs2)n1)C[C@H]1CCCO1 69508661 RXKCJTYNFYPVDZ-MRXNPFEDSA-N 385.489 3.988 0 40 GHAB O=C(Cc1ccccc1C(=O)O)Nc1ccc(Br)c2cccnc12 71284499 MISNDWQMABLQAJ-UHFFFAOYSA-N 385.217 3.877 0 40 GHAB CC(C)n1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1ccccc1 72191516 XXDIHJDNHRTZDO-UHFFFAOYSA-N 396.472 3.955 0 40 GHAB O=C(Cn1cc(-c2ccccc2)ncc1=O)Nc1nc(-c2cccs2)cs1 72404010 PXQRFWYPSXFKBU-UHFFFAOYSA-N 394.481 3.734 0 40 GHAB CCc1ccc(OCC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 89286344 RRSFVYZDHWHHGE-UHFFFAOYSA-N 388.458 3.687 0 40 GHAB O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccccc1Cl 90584101 LGTVNACPOMDPLN-UHFFFAOYSA-N 393.878 3.709 0 40 GHAB CN(C)c1ccc([C@@H](O)CNC(=O)NC(c2ccccc2)c2ccccc2)cc1 90612031 QHDVUOVWLQKTNI-QFIPXVFZSA-N 389.499 3.875 0 40 GHAB CN1C[C@@H](NC(=O)c2ccc(COc3ccc(F)cc3)o2)[C@@H](c2ccccc2)C1 95448274 RGUKOPCUGJZQRD-NHCUHLMSSA-N 394.446 3.825 0 40 GHAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(I)cc1 95471613 ZAWUDVLQFDUUAL-CYBMUJFWSA-N 395.240 3.797 0 40 GHAB CO[C@@H](CNS(=O)(=O)c1ccc(Br)s1)c1ccc(C)s1 96104811 DRJWKJIQITUXGM-VIFPVBQESA-N 396.353 3.547 0 40 GHAB CC(=O)c1cccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@H]3C2(C)C)c1 100251771 WUSGXUBAWGNOOR-QVKFZJNVSA-N 396.516 3.980 0 40 GHAB Cc1ccc(OCCNC(=O)COc2ccc(Cl)cc2Br)cc1 218855913 YNUNYITVAYTFCT-UHFFFAOYSA-N 398.684 3.985 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1C 219220589 JOOYPJXNXGHBTO-HXUWFJFHSA-N 386.517 3.860 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NCCC(C)C)cc1 222991148 JJFYUIRKLBOWOA-IBGZPJMESA-N 396.531 3.817 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)c(C)c1 223411082 GYWAEKKPNLZBFF-UHFFFAOYSA-N 377.462 3.598 0 40 GHAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3cc(C)c(C)cc3C)ccc21 223494324 XEYXXQNBJPLPEP-MRXNPFEDSA-N 386.517 3.560 0 40 GHAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1 223675242 SIICHOMSPFLJDU-NRFANRHFSA-N 380.532 3.994 0 40 GHAB CSc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1NC(C)=O 223800117 WCUAEIWNZBREOT-UHFFFAOYSA-N 394.562 3.614 0 40 GHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)[nH]1 224002154 JICDSOYUPLMXRV-VQTJNVASSA-N 392.484 3.932 0 40 GHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(C)cc1 224051445 OWWPTOPIVTWMAJ-LJQANCHMSA-N 398.572 3.824 0 40 GHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 224082868 QQLMLEFUDLVVGI-FQEVSTJZSA-N 396.531 3.587 0 40 GHAB CCOc1ccc(S(=O)(=O)N(CC)c2cc(OC)c(Cl)cc2OC)cc1 224608276 IYKNGRNJNRNYTA-UHFFFAOYSA-N 399.896 3.971 0 40 GHAB CC(C)[C@H](C)NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 225203751 BSJZJSURHPUEHW-HNNXBMFYSA-N 392.496 3.566 0 40 GHAB COC(=O)c1ccc([C@@H]2CC(=O)c3cc4c(cc3-n3cccc32)OCCO4)cc1 225380547 TWANDFRWFILSGT-INIZCTEOSA-N 389.407 3.753 0 40 GHAB CC(C)NC(=O)c1cc(N)ccc1Nc1ccc(I)cc1 225472254 FZILMRHVDWRHEY-UHFFFAOYSA-N 395.244 3.755 0 40 GHAB CSc1ncccc1C(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225733984 YNKMWCCCVXESII-LBPRGKRZSA-N 383.395 3.511 0 40 GHAB C[C@@H]1CCCN(c2cc(N3CCCCC3)nc(NC(=S)NC(C)(C)C)n2)C1 225894302 AQXDNCOFRMCDJF-OAHLLOKOSA-N 390.601 3.788 0 40 GHAB C[C@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NC3CC3)n2)C1 226003733 UIJHRZAMXRBCDI-HNNXBMFYSA-N 388.585 3.542 0 40 GHAB CC(=O)N1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3C)c2)C1 257214709 CNDYNWALTHQNJY-LJQANCHMSA-N 375.476 3.728 0 40 GHAB COCCOCC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257228715 FUYKWVWZPWUVJJ-GOSISDBHSA-N 392.883 3.635 0 40 GHAB COc1cccc(Cc2cnc([C@]3(C)CCCN(C(=O)c4cc(C)on4)C3)o2)c1 257235954 HAFJAPARDNPWPS-JOCHJYFZSA-N 395.459 3.764 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CC[C@H](c2ccnc(Nc3ccccn3)n2)C1 257311403 UJGZSJGJMDSHBU-HNNXBMFYSA-N 379.851 3.898 0 40 GHAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)c2ccccc2)CC1=O 408652482 OSUFSEXZPUVQLW-LJQANCHMSA-N 379.456 3.590 0 40 GHAB Cc1cnc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)s1 409010165 AJUZOEAKJRTCQO-UHFFFAOYSA-N 396.881 3.798 0 40 GHAB Nn1c(Cc2ccccc2)nnc1SCc1ccc(Br)cc1 409095080 GREQASMQHRGUJZ-UHFFFAOYSA-N 375.295 3.638 0 40 GHAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(C)c(C)c1 409182275 JRDMPDBXNVNBJN-UHFFFAOYSA-N 389.835 3.964 0 40 GHAB Cn1c(CCN2CCC(Cc3ccccc3C(=O)O)CC2)nc2ccccc21 563455644 ZEROLDDKEWEEAJ-UHFFFAOYSA-N 377.488 3.769 0 40 GHAB CN(CCc1ccccc1)c1ncc(C(=O)O)c(CCc2ccc(F)cc2)n1 585266237 ZCMOIZRXXLXJMQ-UHFFFAOYSA-N 379.435 3.778 0 40 GHAB COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@H]1CCOC1(C)C 661058318 LEWOPYKNFLVDDP-VXGBXAGGSA-N 385.302 3.633 0 40 GHAB FC(F)(F)c1ccc(N2C[C@@H]3CN(c4cnc5ccccc5n4)C[C@H]3C2)nc1 1888899261 AAKZLUPOUNAOMZ-ZIAGYGMSSA-N 385.393 3.616 0 40 GHAB Cc1cccc(S(=O)(=O)N2C[C@H]3CCC[C@H](N(C)Cc4ccco4)[C@H]3C2)c1 2056131333 LMMGCAKKQWYAKJ-QMMLZNLJSA-N 388.533 3.509 0 40 GHAB Cc1ccc(C)c(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccccn2)c1 1362729 RGTRDRAAROOZHM-UHFFFAOYSA-N 395.532 3.810 0 40 GHAB O=S(=O)(Cc1ccccc1)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 1364210 CUKZZEYECVWNQY-OAHLLOKOSA-N 389.502 3.508 0 40 GHAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 1379857 IGMLPBJYTPQJBV-KRWDZBQOSA-N 375.831 3.792 0 40 GHAB CCOC(=O)c1csc(-n2nc(-c3ccc(Br)cc3)cc2N)n1 1415826 RTCUUTZXSRZTLS-UHFFFAOYSA-N 393.266 3.517 0 40 GHAB CN(C)C(=S)Oc1cccc(C(=O)Nc2cccc(Br)c2)c1 1437746 MQCLPKOPNANLMD-UHFFFAOYSA-N 379.279 3.927 0 40 GHAB O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2c(c1)OCCO2 2644868 FKQGWOAJYQEXLH-UHFFFAOYSA-N 391.779 3.513 0 40 GHAB O=C(Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccc2c(c1)OCO2 2752961 DOMJGCDZXOFQGS-UHFFFAOYSA-N 377.274 3.793 0 40 GHAB COc1cc(OC)cc(C(=O)NCCSc2ncc(-c3ccccc3)[nH]2)c1 4315530 AUYYNSTVFUUXPJ-UHFFFAOYSA-N 383.473 3.616 0 40 GHAB CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccoc1C 4860559 KTYIRODDPBJBNN-UHFFFAOYSA-N 386.477 3.914 0 40 GHAB COc1cccc([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)OC3)c1 5269746 UIFXEDUAQQKCLX-CQSZACIVSA-N 387.794 3.819 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)o2)c1 5277469 ZLRQRONLEDKCHR-UHFFFAOYSA-N 398.488 3.754 0 40 GHAB O=C(CCCn1nnc2ccccc2c1=O)Nc1ccc(Cl)cc1Cl 5303970 DJPBLYCEQJLZOJ-UHFFFAOYSA-N 377.231 3.517 0 40 GHAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(NC(C)=O)cc1)CO3 5346438 BGQSOLYUCJOZMZ-UHFFFAOYSA-N 378.428 3.979 0 40 GHAB Cc1ccc(C2=NN(C(=O)CSc3cccc[n+]3[O-])[C@H](c3ccco3)C2)cc1 5780140 WDZGPZYWLBTEDL-SFHVURJKSA-N 393.468 3.691 0 40 GHAB CCC(CC)NC(=O)COC(=O)COc1ccc(C2SCCCS2)cc1 6610761 GLNZXUWYOWSJKR-UHFFFAOYSA-N 397.562 3.782 0 40 GHAB C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)NC3CCCCCC3)c2)C1 6680972 XFAVVXKJYAVKRE-CQSZACIVSA-N 384.567 3.621 0 40 GHAB CN(CC(=O)Nc1ccccc1F)CC(=O)Nc1c(Cl)cccc1Cl 6849137 NXHPCZHOAOEGKM-UHFFFAOYSA-N 384.238 3.642 0 40 GHAB O=S(=O)(c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8225193 HUBWPWHYBBZVKP-UHFFFAOYSA-N 377.437 3.688 0 40 GHAB C[C@H](NC(=O)CSc1nnnn1C1CC1)c1ccc(-c2ccccc2)cc1 8231281 HTKCCFZQBUTPOX-AWEZNQCLSA-N 379.489 3.645 0 40 GHAB CCOc1cc(CNCCCN2CCOCC2)ccc1OCc1cccs1 8254739 SNMHLWFHRLAQHY-UHFFFAOYSA-N 390.549 3.538 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1C 8414309 NYRLPHWZOHAENK-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)c1 8433481 WIUXCVQVSRQVDB-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB C[C@@H](Nc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1)C(=O)O 8569830 PQPLYJJQLYDEGS-SNVBAGLBSA-N 386.362 3.522 0 40 GHAB Cc1oc2cc3oc(=O)c(CC(=O)NCC(C)(C)CN(C)C)c(C)c3cc2c1C 8765258 BMXSNOMFCVUTBD-UHFFFAOYSA-N 398.503 3.711 0 40 GHAB biogenic COC(=O)c1c(Sc2c[nH]c3ccccc23)nc(-c2ccccc2)[nH]c1=O 9462763 QAWQYWMUWADWSZ-UHFFFAOYSA-N 377.425 3.856 0 40 GHAB O=C(Nc1cccc(F)c1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 9485605 HIDXFASSRDAJEL-HNNXBMFYSA-N 379.435 3.727 0 40 GHAB O=C(COc1ccc(-c2nnco2)cc1)N1CCS[C@@H]1c1ccccc1F 9502853 ISYDAOPQNWQMJG-LJQANCHMSA-N 385.420 3.529 0 40 GHAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 9553642 SEIGCUKRCGAICO-HXUWFJFHSA-N 391.471 3.857 0 40 GHAB Cc1ccc(Nc2nc(NCCCO)nc3c2cnn3-c2ccccc2)cc1C 9573523 SWIKNCNWNZFIRI-UHFFFAOYSA-N 388.475 3.970 0 40 GHAB O=C(Nc1cccc(-n2cnnn2)c1)c1cc(-c2ccncc2)nc2ccccc12 9734530 JGJFDMPZHNUVHI-UHFFFAOYSA-N 393.410 3.525 0 40 GHAB O=C(CSc1nccn(-c2cccc3ccccc23)c1=O)NC1CCCCC1 9761514 CWVKVKUBPFAFEH-UHFFFAOYSA-N 393.512 3.927 0 40 GHAB COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 9903449 GNHSNRDJLYASLK-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)c(Cl)c1Cl 10111216 IDHLBADSUZLVRU-UHFFFAOYSA-N 395.352 3.546 0 40 GHAB COc1ccc([C@@H]2CC(=O)c3cnn(-c4nc5ccccc5[nH]4)c3C2)cc1OC 10157246 IXUOHEJSZAMZCX-AWEZNQCLSA-N 388.427 3.679 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCc1cc(=O)n2ccsc2n1 10729015 WACLZLIUWMIKPI-VIFPVBQESA-N 399.255 3.574 0 40 GHAB CC(C)NC(=O)c1cccc2c1CCCN2C(=O)c1ccc(-n2cccn2)cc1 11112361 ZKQGFYWLEKWZRZ-UHFFFAOYSA-N 388.471 3.604 0 40 GHAB CCc1nccn1Cc1cc(CN2CC[C@](O)(c3ccccc3)C2)ccc1OC 12147706 UXOMZKMNOWDCEQ-XMMPIXPASA-N 391.515 3.596 0 40 GHAB Cc1ccc(COc2cn(CC(=O)Nc3ccccc3F)c(C)cc2=O)cc1 12230608 WWKCYMOYXCKDCD-UHFFFAOYSA-N 380.419 3.822 0 40 GHAB OCCCn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21 12240515 VZEOUTRPKFUOOE-UHFFFAOYSA-N 382.479 3.646 0 40 GHAB CCOC(=O)C1(Cc2cc(-c3ccc(C)cc3)no2)CCN(C(=O)C2CC2)CC1 12275225 NSRZWIUOHQRRGK-UHFFFAOYSA-N 396.487 3.774 0 40 GHAB C[C@@H]1CN(Cn2nc(Cc3ccccc3)n(-c3ccccc3)c2=S)CCO1 12554645 YKTHGNZUPIRGSG-QGZVFWFLSA-N 380.517 3.672 0 40 GHAB CCCN(CCC)c1nc2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O 12727696 VXLXLWGOERPMIR-UHFFFAOYSA-N 396.466 3.801 0 40 GHAB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1C[C@H]1CCCO1 12787300 UTIRKPMFKWKYIL-MRXNPFEDSA-N 388.537 3.577 0 40 GHAB O=C(NCCc1cccc2cccnc12)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 12974892 OTIZMPZBBDOFNK-QGZVFWFLSA-N 393.874 3.600 0 40 GHAB OCC/N=c1\scc(-c2ccc(Br)cc2)n1-c1ccccc1 13162080 OKWMYXJJFFYKQZ-ZPHPHTNESA-N 375.291 3.861 0 40 GHAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)c1 13217760 HDNNFCJLCJVFGR-OAQYLSRUSA-N 398.418 3.942 0 40 GHAB CCCCCNC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944725 ZHUXQOXUAPADBK-OAHLLOKOSA-N 375.900 3.519 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944812 BYNYREITFJRBSI-AWEZNQCLSA-N 399.853 3.990 0 40 GHAB Cc1ccc(C(C)C)cc1OCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 14169990 NZFTYSUDPWKBNN-KRWDZBQOSA-N 378.476 3.955 0 40 GHAB COc1ccc(CCNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1OC 14282753 MWULJAHNLWUQEW-UHFFFAOYSA-N 385.851 3.720 0 40 GHAB COc1ccc(OC)c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 15083066 AMXBZEQJDOJQSL-DHZHZOJOSA-N 394.471 3.594 0 40 GHAB COc1cc(OC)cc([C@H](Nc2ncnc3sccc23)c2nccn2C)c1 15525378 RZRKXXCPAXLLCQ-INIZCTEOSA-N 381.461 3.644 0 40 GHAB COc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3F)o2)c1 17227428 SYYILLMTZYBQJH-UHFFFAOYSA-N 389.408 3.527 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)NCCc1ccc2c(c1)OCCO2 18073290 HYWXXYXUISQTDF-UHFFFAOYSA-N 376.456 3.524 0 40 GHAB COc1ccc(C)cc1CN1CCC(c2nc(-c3ccncc3)cc(=O)[nH]2)CC1 19133373 WCUJUXJRMOSSKN-UHFFFAOYSA-N 390.487 3.529 0 40 GHAB c1cncc(CN(CCN2CCOCC2)Cc2cccn2C2CCCCC2)c1 19338657 BZKBZDBMZCARDO-UHFFFAOYSA-N 382.552 3.723 0 40 GHAB O=C(NCc1cccc(F)c1)c1cc([C@H]2CCCN(Cc3ccccn3)C2)no1 19401685 RMRSIAVSGZIJCA-KRWDZBQOSA-N 394.450 3.518 0 40 GHAB CCn1ncc(-c2cc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)on2)c1C 19719086 YDNWIWAAHFWIAK-QGZVFWFLSA-N 380.448 3.899 0 40 GHAB Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C(C)C)C3)cc2)c1 20369676 YOVDRHODZBSQBS-SFHVURJKSA-N 393.487 3.751 0 40 GHAB Cc1cc(C)c(N(CC(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)c(C)c1 22387132 LGINDLWGPAUOTN-UHFFFAOYSA-N 394.924 3.978 0 40 GHAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN[C@@H](c1ccc(F)cc1)C(C)C 23678075 ROBYMTKAGZZBHR-SIKLNZKXSA-N 389.467 3.764 0 40 GHAB Cc1cc(C)c2cc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)[nH]c2c1 24810808 LUBDGFCQKZGOQS-UHFFFAOYSA-N 375.350 3.571 0 40 GHAB COc1cc(NC(=O)c2cc(SC)ccc2C)c(C(=O)N(C)C)cc1OC 25221373 PEKPSVCGRMSZPG-UHFFFAOYSA-N 388.489 3.688 0 40 GHAB CN(C)[C@H](CNC(=O)/C=C/c1ccc(Br)cc1)c1ccsc1 25811471 QFPLWMIBJDERCC-CDVVCGDMSA-N 379.323 3.943 0 40 GHAB S=c1n(CN2CCN(C3CCCC3)CC2)nc(C2CC2)n1-c1ccccc1 26627834 DCVVJWUBGUASFE-UHFFFAOYSA-N 383.565 3.798 0 40 GHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc2c(cc1Cl)OCCCO2 26987120 COKYUDJMWSVXEV-ADLMAVQZSA-N 375.808 3.668 0 40 GHAB CCCOc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)c1 27581475 ZUYMVMKHPALDGH-QFIPXVFZSA-N 382.504 3.587 0 40 GHAB CC(C)C[C@H](NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1 30893696 ODQOFNUOPXQJOB-IBGZPJMESA-N 393.487 3.656 0 40 GHAB Cc1n[nH]c(C)c1Cc1ccc(C(=O)Nc2ccc(-n3ccnc3C)cc2)o1 32610770 WBFRQYUIUFDARI-UHFFFAOYSA-N 375.432 3.957 0 40 GHAB CCOC(=O)[C@@H](NC(=O)[C@H]1CC=CCC1)c1c(C)nn(-c2ccc(F)cc2)c1C 32753612 GRQFTIOWKYJWOH-JXFKEZNVSA-N 399.466 3.705 0 40 GHAB COc1ccccc1[C@H](C)N(C)C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 32796594 HZJGQYYGUSAQSS-ZWKOTPCHSA-N 380.488 3.885 0 40 GHAB O[C@@H](COc1cccc2ccccc12)Cn1nnc(-c2cccc(Cl)c2)n1 32927826 ZPRHMZIQUXFKHE-QGZVFWFLSA-N 380.835 3.587 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)OCc3nc4ccccc4nc3C)CC2=O)cc1 32957436 CDAOUUBIPQBEFD-QGZVFWFLSA-N 389.455 3.597 0 40 GHAB CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1cc(OC)cc(OC)c1 33769039 TWTRRWQBUFGIIK-UHFFFAOYSA-N 399.472 3.973 0 40 GHAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(Nc2ccccc2)cc1 39975575 PGCZWVVZSXKUJE-OALUTQOASA-N 377.444 3.544 0 40 GHAB CC(=O)c1csc(NC(=O)CCCOc2ccccc2Br)n1 40131701 UPHQUHLGEUQXIZ-UHFFFAOYSA-N 383.267 3.906 0 40 GHAB COc1cc(CC(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)cc(OC)c1OC 40142579 ZXGHNZGOTLLXPE-INIZCTEOSA-N 387.476 3.986 0 40 GHAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccccc2)C1 44803704 JJJMQXLUWZCPOE-INIZCTEOSA-N 376.460 3.884 0 40 GHAB NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)C1 45887371 FKELTDVGLYQBAD-VIFPVBQESA-N 390.226 3.640 0 40 GHAB O=C(Nc1cccnc1N1CCCC1)c1cnn(Cc2ccccc2Cl)c1 47255031 AMPAZJZRYKGHCZ-UHFFFAOYSA-N 381.867 3.832 0 40 GHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(Br)cc3)c2)n1 47318291 IUGQSBRRAVTSAG-UHFFFAOYSA-N 384.233 3.760 0 40 GHAB CC[C@@H](CNC(=O)Nc1cccnc1N1CCCC1)N1CCc2ccccc2C1 48237841 XEHOENYWUJSWFA-FQEVSTJZSA-N 393.535 3.640 0 40 GHAB COc1ccc(CC(=O)N(Cc2cccs2)Cc2cccn2C)cc1OC 49409963 HTKMCSQGZIBUJS-UHFFFAOYSA-N 384.501 3.875 0 40 GHAB COc1ccccc1N1CCN(C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 51085826 YOMCZCGVOIQIQE-SFHVURJKSA-N 380.410 3.570 0 40 GHAB O=C(NC1CC1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 55632553 KNELGKNGPPQILF-UHFFFAOYSA-N 385.272 3.686 0 40 GHAB COCCOc1ccccc1NC(=O)c1nnn(-c2cccc(Cl)c2)c1C 57273779 MUMZWUYYKZFJLN-UHFFFAOYSA-N 386.839 3.507 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(NC(C)=O)cc1 59099164 ACCRJYJEZWQDDU-UHFFFAOYSA-N 395.488 3.654 0 40 GHAB Cc1nc(NC(=O)Cn2c(=O)oc3ccccc32)sc1Cc1ccccc1F 59772704 LJMOSWWMSDRTNY-UHFFFAOYSA-N 397.431 3.728 0 40 GHAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1ccnc(-n2cncn2)c1 65552696 MZKBCRJQGVZAFJ-QFIPXVFZSA-N 395.422 3.928 0 40 GHAB C[C@H](NC(=O)C1CCOCC1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 66826620 RGASDIJHGZQXKA-ZDUSSCGKSA-N 394.899 3.531 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1 67236071 WGCIDJMPNDGYQB-UHFFFAOYSA-N 398.488 3.547 0 40 GHAB O=C(c1cc2c([nH]c1=O)CCCC2)N(Cc1ccco1)c1ccc(F)cc1F 68090887 NKKOFTCLBIEDMB-UHFFFAOYSA-N 384.382 3.972 0 40 GHAB CCOC(=O)N[C@@H](CNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1)CC(C)C 69923203 GGLBXTBQCYVLJO-OAHLLOKOSA-N 380.533 3.652 0 40 GHAB CC(C)=C[C@H]1[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)C1(C)C 72096776 RCPZEHXVRMTIRA-XKQJLSEDSA-N 376.497 3.904 0 40 GHAB Cc1nccc(C(=O)N2CC[C@H](C)N(C(=O)OC(C)(C)C)c3ccccc32)n1 72303177 AHFCQBGSILBNFH-AWEZNQCLSA-N 382.464 3.966 0 40 GHAB CC(C)c1n[nH]c(=S)n1CCNC(=O)Nc1ccc2oc(C3CC3)nc2c1 72313558 KUPVTAHZWLKMSD-UHFFFAOYSA-N 386.481 3.904 0 40 GHAB Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(CCCOc3ccccc3)C2)ccn1 72356490 RNIWFBGMBBCTIN-GOSISDBHSA-N 377.492 3.702 0 40 GHAB COc1ccc2c(c1)CN(Cc1ccccc1OC)C[C@@]1(CCCN(C)CC1)O2 72394504 ZCQVRABQLBCGJH-DEOSSOPVSA-N 396.531 3.953 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)N(CCc1ccc(F)cc1)C1CCCC1 84587429 UYRAITWTFOFJJS-UHFFFAOYSA-N 393.462 3.550 0 40 GHAB CC(C)N(CCS(C)(=O)=O)Cc1csc(Cc2ccc(Cl)cc2)n1 84597270 HNJCEWUDTKIWMN-UHFFFAOYSA-N 386.970 3.642 0 40 GHAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCC[C@@H](N2CCCC2=O)C1 89857674 RKQJZCIAPASZID-LJQANCHMSA-N 375.472 3.877 0 40 GHAB Cn1ccnc1COc1ccc(CN(CCO)[C@H]2CCCc3ccccc32)cc1 95959698 OYBWUJJNGLAJEU-QHCPKHFHSA-N 391.515 3.871 0 40 GHAB Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2)C1CC1 95964194 MFTGDRPVZVVMLH-NRFANRHFSA-N 376.456 3.720 0 40 GHAB CCn1nc(C)c(CNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)c1C 95993184 NMVCQTROODAAMJ-SFHVURJKSA-N 383.540 3.643 0 40 GHAB Cn1cnc(-c2ccc(C(=O)Nc3nc(-c4cccc(F)c4)cs3)cc2)n1 96001630 YPSNPOQVGNNUOD-UHFFFAOYSA-N 379.420 3.997 0 40 GHAB O=C(Nc1ccccc1F)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 96012663 VRXSASSJZBTNLF-AWEZNQCLSA-N 379.317 3.874 0 40 GHAB COc1ccc2nc3n(c2c1)[C@@H](CNCc1ccc(C(F)(F)F)cc1)COC3 96112634 LCSXHFKHMLNPPI-HNNXBMFYSA-N 391.393 3.925 0 40 GHAB biogenic,in-vitro COc1ccc(/C=C/C(=O)NCCc2nc(-c3cccs3)c[nH]2)cc1OC 96119244 BGJYKLPHAYPAQD-SOFGYWHQSA-N 383.473 3.528 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CC[C@@]2(CCCN(CCOc3ccccc3)C2)C1 96216402 DHXZHRLSRDTDQR-XMMPIXPASA-N 396.506 3.762 0 40 GHAB CC(C)NC(=O)N1CCC[C@@H]1c1nnn2cc(NCc3ccccc3)ccc12 96267934 CRTOJYSIYVHKAO-GOSISDBHSA-N 378.480 3.596 0 40 GHAB O=C(O)[C@H]1C2C[C@@H]3C[C@@H](C2)CC1(n1ncc(Nc2ccccc2)c(Cl)c1=O)C3 101092903 NJFDYXSROPTPFM-VEKNQQAKSA-N 399.878 3.876 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101576778 NREVVAOCAYKIAH-USJZOSNVSA-N 381.863 3.513 0 40 GHAB C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 104016195 VLQSNDFGVIUZGP-PWDMQXDWSA-N 390.474 3.758 0 40 GHAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 219296103 RQYCLECACXBWBH-KXBFYZLASA-N 389.517 3.687 0 40 GHAB COc1ccc(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C 224732994 SOCJJBTXJCXRSK-RMKNXTFCSA-N 378.516 3.794 0 40 GHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1C1CCCC1 225011493 LAQGTDPNPPUPNI-WMQCIHAUSA-N 396.560 3.977 0 40 GHAB COc1ccc(CSCC(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1 225169426 DLTJRJBXJWUCAY-AWEZNQCLSA-N 375.490 3.823 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 225397864 YTPCNCDUBYIGOC-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB O=C(c1cccc(Cl)c1Cl)N1CCN(c2cc3c(nn2)CCCC3)CC1 225791237 FPRSZYHOCPPHDZ-UHFFFAOYSA-N 391.302 3.625 0 40 GHAB COc1cc(C)c(S(=O)(=O)N[C@H](C)COc2ccc(C)c(C)c2)cc1C 225863690 JXOYMCIIJIJOCX-QGZVFWFLSA-N 377.506 3.675 0 40 GHAB Cn1cnc2cc(C(=O)NCCNc3ccnc4cc(Cl)ccc34)ccc21 225891566 QURIFQJUJUQSQA-UHFFFAOYSA-N 379.851 3.617 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4C[C@H]4C)C3)cc2n1 248192733 MKIZYXVGALRIHG-JHJVBQTASA-N 380.414 3.843 0 40 GHAB CCC(CC)C(=O)N1CCC(Cc2ccc(-c3ccncc3)cc2)(C(N)=O)CC1 257327806 XCUIEYZKHIUPEA-UHFFFAOYSA-N 393.531 3.821 0 40 GHAB CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 408543519 DZOCIVKOIOGYRY-UHFFFAOYSA-N 380.897 3.897 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)cc2)C1=O 409011641 OBUWKWYNUGSDCN-BPLGGGKVSA-N 377.462 3.852 0 40 GHAB COc1ccc(C[C@H](C)CNC(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1OC 623823628 CTNFZGRHKKCKSZ-KKUMJFAQSA-N 384.467 3.815 0 40 GHAB COc1ccccc1C(=O)N1NN=N[C@H]1c1ncc(C(F)(F)F)cc1Cl 1500981037 ZFTMUKHJTRMLOA-CYBMUJFWSA-N 385.733 3.789 0 40 GHAB Cc1cc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cc(C)c1O 1615130105 OUOWGJNNEGMDAE-HSZRJFAPSA-N 398.478 3.546 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)n1 1615156069 JUHRBVTZJXKBJE-JOCHJYFZSA-N 384.499 3.689 0 40 GHAB COc1ccc(CC(=O)NC[C@H](O)c2ccc(-c3cccs3)cc2)cc1OC 1775976458 AHLFAIXJRRVNHT-SFHVURJKSA-N 397.496 3.825 0 40 GHAB CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccccn1 684732 KNJWLOJZMVDMMN-LJQANCHMSA-N 393.472 3.880 0 40 GHAB CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)OC(C)C 976334 WQNHMVWUPLPFSG-UHFFFAOYSA-N 382.917 3.916 0 40 GHAB COC(=O)[C@H](C)[C@H](NCCCc1nc(-c2ccccc2)no1)c1ccccc1 79025876 SQQFSAMLVNNPLK-UZLBHIALSA-N 379.460 3.809 0 40 GHAB O=C(NCCCNC(=O)c1nc2ccccc2s1)c1cc2ccccc2o1 22500932 YZBYRJINAUHUQU-UHFFFAOYSA-N 379.441 3.592 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1C(F)(F)F 79307593 IIACZQMDEHGBMR-RHSMWYFYSA-N 377.366 3.567 0 40 GHAB Cc1ccccc1C1=N/C(=C\c2ccccc2I)C(=O)O1 4714048 OEXKEIRBOWLUQT-GDNBJRDFSA-N 389.192 3.944 0 40 GHAB COc1ccc(CCN(C)c2nc3cc(C)nn3c3ccccc23)cc1OC 7777090 MBBUKTYMZQOBFU-UHFFFAOYSA-N 376.460 3.887 0 40 GHAB Cc1ccc(OC(F)F)c(C(=O)CSc2nnc(-c3cccnc3)n2C)c1 7783982 PVWXIVVEOISRRV-UHFFFAOYSA-N 390.415 3.762 0 40 GHAB CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc(OC)cc1 1222238 FYQOOGDVQTUZRF-UHFFFAOYSA-N 394.500 3.655 0 40 GHAB CC(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 1401364 TWPYEDKUYGKWPM-KRWDZBQOSA-N 398.887 3.811 0 40 GHAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(C[C@@H]2CCCO2)C4)cc1 57099739 VMQGVFOEYUAHIT-KRWDZBQOSA-N 393.439 3.800 0 40 GHAB biogenic CC(C)c1noc([C@H](C)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)n1 27305523 OZFUWMONLHUNGH-LBPRGKRZSA-N 384.402 3.678 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cnco3)cc2)c1 58034368 AZPKMUJPHLJVEJ-UHFFFAOYSA-N 376.821 3.651 0 40 GHAB CC[C@H](O)CN(CC(=O)Nc1cc(C)c(Cl)cc1OC)c1ccccc1 58210774 GDDZAECNYABAPR-INIZCTEOSA-N 376.884 3.873 0 40 GHAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1OCC(=O)OC 2124288 NNOQXTZBOCAPIN-UHFFFAOYSA-N 396.395 3.693 0 40 GHAB biogenic O=C(O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1Cl 3316005 MZXWKBGUELEIRF-SFHVURJKSA-N 389.860 3.988 0 40 GHAB COc1ccc(-c2cc3nc(COc4ccccc4)cc(O)n3n2)cc1OC 100776134 DUHOUVBDJVGBPN-UHFFFAOYSA-N 377.400 3.698 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)nc2O)cc1 27027890 HEDABBQNHVLPHO-UHFFFAOYSA-N 386.864 3.937 0 40 GHAB C[C@@H](C(=O)Nc1ccc(-c2ccccc2)cn1)S(=O)(=O)c1ccc(F)cc1 95367575 TWFIZOWFHZTTRE-AWEZNQCLSA-N 384.432 3.689 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1SC[C@H]1CCCO1 48331557 DBVBUJOLESUGNQ-HZPDHXFCSA-N 385.485 3.528 0 40 GHAB Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 10968531 VOAWWVNQKUOATF-LSDHHAIUSA-N 377.531 3.757 0 40 GHAB CC[C@H](NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 22327655 RQVHAOBFFGQESZ-FQEVSTJZSA-N 388.533 3.645 0 40 GHAB COCCOc1cccc(CNC(=O)c2ccc(Br)cc2F)c1 46365370 DAGNDKQKRJTZST-UHFFFAOYSA-N 382.229 3.543 0 40 GHAB O=C(NCc1ccccc1CN1CCOCC1)c1cc(Cl)cc(Cl)c1 12926833 IRVDSGQCOYXDJR-UHFFFAOYSA-N 379.287 3.756 0 40 GHAB C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc(-c2ccccc2)cc1 13002749 RSYJWNLUFYWJMK-QGZVFWFLSA-N 383.451 3.941 0 40 GHAB COc1ccc(CC(=O)Nc2ccc3[nH]c(-c4ccncc4)nc3c2)cc1OC 71284052 AEKSINDPJVKEDJ-UHFFFAOYSA-N 388.427 3.823 0 40 GHAB Nc1nc2n(n1)[C@@H](c1cccs1)C[C@H](c1ccc(Br)cc1)N2 13127520 LQIHLRIYPKSCNX-VXGBXAGGSA-N 376.283 3.831 0 40 GHAB CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C(C(=O)OC)=C(C)N2 4292265 BTPHHBWZIXZVBI-INIZCTEOSA-N 399.516 3.975 0 40 GHAB C[C@H](OC(=O)/C=C/c1ccc2c(c1)OCCO2)c1nnc(-c2cccs2)o1 39982367 PIHZOPPBJQGEGT-PZBABLGHSA-N 384.413 3.887 0 40 GHAB O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1)c1ccc(Cl)cc1 13944233 SNHVYDWLWAILOV-CYBMUJFWSA-N 398.875 3.964 0 40 GHAB Cc1sc2nc(CS[C@H](C)C(=O)N3CCc4ccccc43)[nH]c(=O)c2c1C 5254995 YGXZHLPTAQQUBS-CYBMUJFWSA-N 399.541 3.812 0 40 GHAB Cc1cccc(NC(=S)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 6333497 OYZZUAKWCNWBCS-UHFFFAOYSA-N 375.519 3.588 0 40 GHAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc(Cl)cc1 6492499 JDKCAGQJNLGYHF-UHFFFAOYSA-N 396.859 3.737 0 40 GHAB aggregator Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NC[C@H]1CCCO1 6590386 HRFLNUGXLBRJMB-GOSISDBHSA-N 380.444 3.932 0 40 GHAB C[C@H]1CN(C(C)(C)CNC(=O)C2c3ccccc3Oc3ccccc32)C[C@@H](C)O1 14340145 NSBSZOGEGJQLOO-CALCHBBNSA-N 394.515 3.928 0 40 GHAB CC[C@H](O)c1cc2c(cc1NC(=O)c1cccc(Br)c1)OCCO2 4699544 NRCBFJDDCDJHEQ-HNNXBMFYSA-N 392.249 3.916 0 40 GHAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(Br)cc2)n2ncnc2N1 4716158 CRHDUKVEQCSSNP-HNNXBMFYSA-N 391.269 3.673 0 40 GHAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc21 14796842 MZSNWQKRZNIDGD-UHFFFAOYSA-N 399.299 3.958 0 40 GHAB CC(=O)c1ccc(NC(=S)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 5689347 JDQJYNSGRLYPAG-UHFFFAOYSA-N 381.501 3.611 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc2cn[nH]c2c1 25790569 DXGQBVDIUKSNPK-LLVKDONJSA-N 387.823 3.717 0 40 GHAB COc1ccc(/C=C/c2nnc(NC(=O)COc3ccccc3OC)s2)cc1 9349612 CEXXLUBWAMNWFJ-FMIVXFBMSA-N 397.456 3.743 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)c1cc(C)ccc1C)N(c1ccccc1)S(C)(=O)=O 113945773 QZZQCRZFELWMBJ-PXNSSMCTSA-N 388.533 3.725 0 40 GHAB Clc1cccc(OCc2ccc(-c3nc4c5cn[nH]c5ncn4n3)cc2)c1 6828838 MUMFJRUDQNBYOH-UHFFFAOYSA-N 376.807 3.900 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H](C)Sc2ccccc2)c1C 5805511 NQYXQKKZDGKKNY-CQSZACIVSA-N 389.473 3.715 0 40 GHAB C[C@@H](Sc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5999519 FEACIKOSTDBFDK-CYBMUJFWSA-N 392.546 3.751 0 40 GHAB O=C(COc1ccc(Nc2ccccc2)cc1)N1CCN(c2ccccn2)CC1 5932420 XLIUGHOMHVUYJC-UHFFFAOYSA-N 388.471 3.553 0 40 GHAB COc1ccc(C(=O)Nc2cccc(/C=C3\C(=O)NC(=O)c4ccccc43)c2)cc1 15661992 LBEVRBVAFLYEFR-STZFKDTASA-N 398.418 3.758 0 40 GHAB Cc1cccc(NC(=O)COC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1C 7791418 UOKCATDVDMDMBN-UHFFFAOYSA-N 392.411 3.944 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-n2cnnn2)cc1 9547449 GECNMWBKJKLIRQ-UHFFFAOYSA-N 380.795 3.531 0 40 GHAB CC(C)Cn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1cccnc1 9594990 HOVHYSHPGUBMSM-UHFFFAOYSA-N 399.495 3.544 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2NC1=O 8014146 IYJPDCXKLURAIX-SECBINFHSA-N 381.215 3.730 0 40 GHAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)c1ccc2c(c1)CCC2 8157198 WOGZVBWDELUTTL-HNNXBMFYSA-N 375.519 3.593 0 40 GHAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NC[C@@H]3CCCO3)c12 17076973 ZZNGCNVQOJEIGD-KRWDZBQOSA-N 376.460 3.515 0 40 GHAB CCn1nnc2cc(C(=O)NCC3(c4c(F)cccc4F)CCCC3)ccc21 83840020 QHAWJQXGANUGKL-UHFFFAOYSA-N 384.430 3.971 0 40 GHAB COc1ccc(-c2nnc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)o2)cc1 18257697 NMGRTZSYNVJQLL-UHFFFAOYSA-N 385.729 3.627 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1F 8745044 JLQCSOZILBDIMD-GOSISDBHSA-N 385.435 3.902 0 40 GHAB COCCN1C(=O)S/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)C1=O 409132015 KKUWUGKZWCBNBB-CPNJWEJPSA-N 399.468 3.957 0 40 GHAB C[C@H]1CCCN(C(=O)c2ccc(NCCc3cnn(-c4ccccc4)c3)nc2)C1 95958760 FQQVXELHSZDCIZ-SFHVURJKSA-N 389.503 3.794 0 40 GHAB Cc1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 9990498 GUEMTALNIWPKKG-RMKNXTFCSA-N 391.467 3.901 0 40 GHAB Cc1cc(-c2cncnc2)cc([C@@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1 72353663 PZVCGVXOXAHBGW-MRXNPFEDSA-N 390.491 3.713 0 40 GHAB CC[C@@H](NC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 20108559 LXQAPKXSSIZWRA-RTBURBONSA-N 392.496 3.638 0 40 GHAB COc1ccc(S[C@H](C)C(=O)NCCCN2CCCCCC2)cc1OC 20042110 FZISHQVQOSYOCX-MRXNPFEDSA-N 380.554 3.567 0 40 GHAB CCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)c(OC)c1 408627199 LEHDSVZOTFNNAS-UHFFFAOYSA-N 377.491 3.622 0 40 GHAB COc1cccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3)cc2)c1 32593332 JACNPPWPAUOLQJ-UHFFFAOYSA-N 376.412 3.965 0 40 GHAB CCCN(CC1CC1)C(=O)Cc1cc(O)n2nc(C)c(-c3ccc(F)cc3)c2n1 306135652 OWWAWXDZFAVRTA-UHFFFAOYSA-N 396.466 3.741 0 40 GHAB COc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 36293457 MXCXARIFWBTNQL-UHFFFAOYSA-N 395.484 3.908 0 40 GHAB COc1ccc(-c2nc(CC(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)cs2)cc1OC 32097145 GJCIGNXQKSICTH-YCPHGPKFSA-N 384.501 3.698 0 40 GHAB CC[C@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccccc1 38757077 NFKSFVJQQVUBQB-KRWDZBQOSA-N 398.887 3.513 0 40 GHAB COc1ccc2c(c1)[C@H](NC(=O)c1cccc(N3CCCC3=O)c1)CC(C)(C)O2 219215422 IUZRMAFKGHCPCX-LJQANCHMSA-N 394.471 3.854 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cnc(N3CCCC3)cc2C)cc1 72218870 BCFMMPQYUFIGMG-FQEVSTJZSA-N 385.533 3.824 0 40 GHAB CCCN1CC[C@H](c2cc3nc(C)c(CCC(=O)NC4CCCC4)c(C)n3n2)C1 72369607 ZITHUANTSIXZBD-SFHVURJKSA-N 397.567 3.537 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2C)cc1 223427026 LMKNIGGXFFEHOG-UHFFFAOYSA-N 398.937 3.630 0 40 GHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC)c(OC)c1OC 44904145 CHDWVRLAMRLRMP-HNNXBMFYSA-N 393.867 3.840 0 40 GHAB Cc1cccc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)c1 225693580 GCPNUPKFIHQPHZ-GOSISDBHSA-N 384.495 3.866 0 40 GHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223200567 FOGSBFBSSAYIMP-NRFANRHFSA-N 384.495 3.948 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1 224662038 QVXZYZMCOUANFH-HNNXBMFYSA-N 390.886 3.964 0 40 GHAB CCOc1cc(CNC(=O)COc2cccc(C(F)(F)F)c2)ccc1OC 225814676 VMVFDYRKKXUWRM-UHFFFAOYSA-N 383.366 3.808 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 224702699 BXZMQSZELSLPPL-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB CCCCc1ccc(C[C@H](C(=O)O)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 225166677 YLYWOCCWQDMGNM-LJQANCHMSA-N 393.480 3.630 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 220358170 LMZXHMZBNUSXBW-CABCVRRESA-N 394.924 3.680 0 40 GHAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 40057718 NFUSXIOBSHZQNS-GOSISDBHSA-N 398.484 3.852 0 40 GHAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)O)o1 222758396 BLNMZYDDAONELT-MSOLQXFVSA-N 379.441 3.642 0 40 GHAB CC1(C(=O)Nc2ccc(OC3CSC3)cc2)COC(c2cccs2)OC1 225921900 OEMLVRDMOWUVNH-UHFFFAOYSA-N 391.514 3.933 0 40 GHAB Cc1ncsc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1 257259096 KWUOOUOMUOLHFI-HDJSIYSDSA-N 383.477 3.600 0 40 GHAB Cc1nc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCNC2)nn1-c1ccccc1C(C)C 658945115 VWFXMPZCVZSDNP-UYAOXDASSA-N 395.551 3.693 0 40 GHAB CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CCC1)C2 585106607 CSQPPLVJKYKQKT-HSZRJFAPSA-N 378.520 3.966 0 40 GHAB Cc1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(C(F)(F)F)nn1C1CCN(C)CC1 49362659 NSACROWCRXSFBE-STQMWFEESA-N 386.462 3.595 0 40 GHAB CCCn1cc(NC(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)ccc1=O 56080123 QWLLZIPAGMJVFP-MRXNPFEDSA-N 394.258 3.697 0 40 GHAB CCN1CCC(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)CC1 1615130716 ZISJFDSNDRWTOD-HSZRJFAPSA-N 387.543 3.908 0 40 GHAB C[C@H](C(=O)CC[C@@H](C)CO)[C@@H]1C(=O)C[C@H]2C[C@H]3C[C@@H](O)CC[C@@]3(C)C[C@]12C 5339491 WJLCVMWHBASUOP-DKEGDFMNSA-N 378.553 3.773 0 40 GHAB O=C(CNc1cc(Cl)ccc1Cl)Nc1cccc(C(=O)NC2CC2)c1 11549273 URSZBAVSIXEOPB-UHFFFAOYSA-N 378.259 3.936 0 40 GHAB Cc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccco3)nn2)cc1F 11739289 DDGBWHNPGAFMBE-UHFFFAOYSA-N 386.408 3.500 0 40 GHAB CCc1c(C)sc2ncn(C3CCN(C(=O)c4cccs4)CC3)c(=O)c12 12185411 GTRMQDPVHFGICH-UHFFFAOYSA-N 387.530 3.868 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1 12198541 YOJHKAFEYOSZTO-UHFFFAOYSA-N 399.516 3.605 0 40 GHAB CCC(CC)C(=O)NCCn1ncc(-c2cc(C)no2)c1-c1ccc(C)nc1 12222087 IXARLFRJUURCJX-UHFFFAOYSA-N 381.480 3.769 0 40 GHAB Cc1ccc(-c2csc3ncn(C[C@H](O)COc4ccccc4)c(=O)c23)cc1 13000524 OMTWVICDMPZPMA-KRWDZBQOSA-N 392.480 3.873 0 40 GHAB CCN1CCN(c2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)CC1 14101066 DYROVGPPNBANJS-UHFFFAOYSA-N 395.528 3.783 0 40 GHAB Cc1ccc([C@H]2CCCN2C(=O)C[C@@H]2NC(=O)N(C3CCCCC3)C2=O)cc1C 19213707 WBKVUWSUUFEYFX-VQTJNVASSA-N 397.519 3.610 0 40 GHAB Cc1cccc(OCCCC(=O)N2CCC(c3n[nH]c4nccnc34)CC2)c1C 19235707 FLQQNYSCXYLLCI-UHFFFAOYSA-N 393.491 3.535 0 40 GHAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2nn(C)cc2-c2ccncc2)cc1 19290053 OQYNCMNBHOMLCQ-OAQYLSRUSA-N 390.487 3.787 0 40 GHAB COc1ccccc1C(=O)N1CCN(Cc2c(C(C)C)[nH]c3ncccc23)CC1 19451518 RZHWPDZDTKOPQL-UHFFFAOYSA-N 392.503 3.653 0 40 GHAB C[C@H](Cn1cncn1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 19457938 GESZJTLIVIFPJQ-SNVBAGLBSA-N 396.303 3.907 0 40 GHAB CC1CCN(CCCNc2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 19496899 WRXKZVYZXNAMLG-UHFFFAOYSA-N 378.480 3.728 0 40 GHAB CCn1c(CNC(=O)c2ccc(CN3CCCCCC3)o2)nc2ccccc21 19524362 HOQBAZZBAFFDCX-UHFFFAOYSA-N 380.492 3.955 0 40 GHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CC2)C1 19528806 VPBZYAJNRZLMMZ-XMMPIXPASA-N 376.500 3.661 0 40 GHAB COc1cccc(CN2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c1OC 19568009 IKIFXCVIPYVSHE-NRFANRHFSA-N 382.435 3.965 0 40 GHAB COc1cccc2cc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)c(C)nc12 19664774 CGZKYSOCSJJVJY-IBGZPJMESA-N 391.471 3.768 0 40 GHAB CCC(C)(C)NC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(C)=O 19696624 RGFNNAJVUBGAMN-JOCHJYFZSA-N 383.492 3.570 0 40 GHAB Cc1nc(C2CCN(C(=O)C3CCCC3)CC2)nc2c1CCC(=O)N2CC(C)C 19739521 UHQINIZJUOZKNN-UHFFFAOYSA-N 398.551 3.616 0 40 GHAB CCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(F)cc3)cnn2c1C 19817151 CUFKXVAOLFGJFC-UHFFFAOYSA-N 391.406 3.890 0 40 GHAB CSc1ncc(Br)c(N2CCC[C@H](COc3ccncc3)C2)n1 1889122755 DDZODLPQGMBEPI-LBPRGKRZSA-N 395.326 3.651 0 40 GHAB CC(C)Oc1ccc(CN2CCC3(CC2)CC(=O)NCc2ccccc2N3)cc1 2037978185 GGKACZPUFBBLOA-UHFFFAOYSA-N 393.531 3.940 0 40 GHAB Cc1nc2ccc3nc(NC(=O)[C@H]4COc5ccccc5O4)sc3c2s1 4088371 JWOVQAXAQISGEQ-CQSZACIVSA-N 383.454 3.993 0 40 GHAB Nn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 4288087 MJYSAZACEVJAPJ-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB O=C(c1nc2ccccc2s1)N1CC(Oc2cccc(C(F)(F)F)n2)C1 575606261 FTBIRZQZXIGVJA-UHFFFAOYSA-N 379.363 3.614 0 40 GHAB CC(C)c1n[nH]c(=NC(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)s1 586633144 MAIMTZKVVROFOE-UHFFFAOYSA-N 387.509 3.790 0 40 GHAB CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCCCC3)c(O)n2n1 22853140 FDLSRYIFXYLPRK-HNNXBMFYSA-N 378.448 3.912 0 40 GHAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1nc(-c2ccccc2)oc1C 29235987 GSXKNXBKIHGDOV-UHFFFAOYSA-N 393.443 3.759 0 40 GHAB CCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 40097291 ONAKJASNXIPNPI-UHFFFAOYSA-N 395.912 3.644 0 40 GHAB O=C(OCc1nccn1C(F)F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 30561464 LPEUTZZUALKLDE-UHFFFAOYSA-N 397.809 3.527 0 40 GHAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 101917816 SLXWOZJABCTFAL-CJKMCJCZSA-N 388.851 3.765 0 40 GHAB COc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)cc1 646424 MGTYUZUHFULLTJ-GOSISDBHSA-N 395.850 3.868 0 40 GHAB O=C(c1cc2ccccc2oc1=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 1330114 VLASYWCLNRRREU-GOSISDBHSA-N 381.403 3.754 0 40 GHAB Cc1nc(NC(=O)C2CC2)sc1C(=O)Nc1ccc(Br)cc1 1378951 JZPXVILGAJFKAO-UHFFFAOYSA-N 380.267 3.815 0 40 GHAB CCOC(=O)[C@](C)(Cc1ccccc1)NC(=O)c1cc(C)n(CC2CC2)c1C 78878620 FPGPJZYZCWUUJX-QHCPKHFHSA-N 382.504 3.809 0 40 GHAB CCn1cc(C(=O)N[C@H](C)Cc2c[nH]c3ccccc23)c(=O)c2ccc(C)nc21 12408403 PXSXQABEBGBSFL-OAHLLOKOSA-N 388.471 3.567 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1 4454457 MRSZFNWONHQJJN-QGZVFWFLSA-N 380.444 3.670 0 40 GHAB O=S(=O)(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccccc1 23054812 SQHYFGDEHPGIKX-UHFFFAOYSA-N 386.452 3.611 0 40 GHAB S=C(NCCc1ccccc1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 4886056 VDNMALJFIDGEGE-FRIKZZABSA-N 379.573 3.889 0 40 GHAB COc1cc(C(=O)NCc2cc3cc(Cl)ccc3n2C)cc(OC)c1OC 4973498 RWCISMDEBAUDEW-UHFFFAOYSA-N 388.851 3.788 0 40 GHAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1CCSc1ccc(Cl)cc1 7191844 WRWXSESLDTWLLJ-IBGZPJMESA-N 388.876 3.662 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 7477746 KJOHSEZUARUWRS-FNHZYXHNSA-N 383.492 3.729 0 40 GHAB CCCCCOC(=O)c1ccccc1N1C(=O)c2ccc(C(=O)O)cc2C1=O 3183854 CBTOMJAZRHDUIN-UHFFFAOYSA-N 381.384 3.532 0 40 GHAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8232944 CJLKUVRGUNLQGO-LBPRGKRZSA-N 385.894 3.699 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)Nn2c(C)ccc2C)cc1 8475624 KUDDEPVHDCRDHQ-UHFFFAOYSA-N 393.443 3.758 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)c(C(F)(F)F)c1 42792748 WAMKQZXAMPIYAY-UHFFFAOYSA-N 389.351 3.521 0 40 GHAB Cn1c(CCN2CCCC2=O)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 9059647 USXUPOMRECNVFX-UHFFFAOYSA-N 396.878 3.644 0 40 GHAB COCCN(Cc1ccco1)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 25094960 YPIRQGCEJBDIQF-UHFFFAOYSA-N 382.416 3.722 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1F)c1nccn1C 12550082 YPTTWNXNCWLZMD-SCLBCKFNSA-N 387.842 3.886 0 40 GHAB O=S1(=O)CCCN1c1ccc(F)c(NCc2ccccc2C(F)(F)F)c1 55896470 RXZBPBYDYPCIET-UHFFFAOYSA-N 388.386 3.997 0 40 GHAB Cc1ccc(C)c(SCC(=O)N[C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)c1 25337120 VDGZDNGPJSFVNO-CVDCTZTESA-N 398.572 3.974 0 40 GHAB Clc1ccc(OCc2ccccc2Cl)c(CNCCN2CCOCC2)c1 23468451 YOJQOMCOEBNZEW-UHFFFAOYSA-N 395.330 3.994 0 40 GHAB CN(C)[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1cccs1 27677275 SCWDTFGBFAZEFY-ZDUSSCGKSA-N 376.865 3.541 0 40 GHAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cc(Cl)ccc2F)C[C@@H](C)O1 26547341 JNFFTWLKOJKBOG-BETUJISGSA-N 390.842 3.981 0 40 GHAB CCc1ccccc1-n1cnnc1SCC(=O)N1c2ccccc2C[C@@H]1C 26927848 WQSSTEIUMSVPGC-HNNXBMFYSA-N 378.501 3.900 0 40 GHAB CC(C)c1ccc(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1 58175140 UWDLUZWDDIOGPR-UHFFFAOYSA-N 378.469 3.587 0 40 GHAB Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1NS(C)(=O)=O 58182058 QHTBIBOAJUYUOF-UHFFFAOYSA-N 378.881 3.690 0 40 GHAB Cc1ccc(-c2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)n2C)cc1 10264580 BPYIFIYETNQFLO-CYBMUJFWSA-N 377.473 3.880 0 40 GHAB Cc1csc(-c2cccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)c2)n1 58248829 XMAHVSDWKAYQLZ-UHFFFAOYSA-N 392.436 3.710 0 40 GHAB CCOc1cccc([C@@H](C)NC(=O)Cc2csc(NC(=O)C(C)C)n2)c1 58283332 ZJWNZEAHGCAPNM-CYBMUJFWSA-N 375.494 3.556 0 40 GHAB CCOc1ccc2[nH]c3c(=O)n(CCc4ccc(OC)c(OC)c4)cnc3c2c1 2127443 XYLKOKIOUQJVQS-UHFFFAOYSA-N 393.443 3.536 0 40 GHAB biogenic Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 58419047 SAIRKSDTHDBIMF-OAHLLOKOSA-N 391.519 3.983 0 40 GHAB Cc1cc(C)c2c(OCC(=O)Nc3cc(C(C)(C)C)ccc3O)nn(C)c2n1 57911395 LEVHEQADQVEXKF-UHFFFAOYSA-N 382.464 3.606 0 40 GHAB O=C(c1cc(Br)ccc1Cl)N1CCN(c2nccs2)CC1 12788126 CFPQDYBCQPAVNL-UHFFFAOYSA-N 386.702 3.521 0 40 GHAB COCc1nn2c(O)cc([C@@H](C)Cn3nccc3C)nc2c1-c1ccccc1 100775624 DOLYDBCGOPYJEM-AWEZNQCLSA-N 377.448 3.557 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1C 3332006 KZPYVDHZGYDPFE-UHFFFAOYSA-N 383.231 3.936 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)cc1OC 2337815 KLQIVHSTDGHEPK-UHFFFAOYSA-N 381.457 3.687 0 40 GHAB O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1CCOc1ccccc1Cl 12872812 AGLXFPWNMAFMKZ-NRFANRHFSA-N 384.863 3.893 0 40 GHAB O=C(COC(=O)Cc1c(F)cccc1Cl)NCC1(c2ccccc2)CCC1 22667232 RWBRVWXTHDLYQU-UHFFFAOYSA-N 389.854 3.803 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)NCCc1cccc(Cl)c1)c1ccccc1F 29338252 SLIGPQLCTLGTOV-SFHVURJKSA-N 386.858 3.844 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1CCCCC[C@@H]1c1ccncc1 45984563 WTEDTISWJLSEOB-LJQANCHMSA-N 387.505 3.943 0 40 GHAB CCn1c(=O)c2ccccc2n2c(COc3cccc(C(F)(F)F)c3)nnc12 29274180 KEUOLLRYCWEXKF-UHFFFAOYSA-N 388.349 3.662 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1 3437182 BUVYWEAIRIQHFW-UHFFFAOYSA-N 384.907 3.865 0 40 GHAB COc1cc(C)ccc1OCC(=O)Nc1ccc(I)cc1 3510633 MZZAFLLLALNSBU-UHFFFAOYSA-N 397.212 3.626 0 40 GHAB CCCc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 12995372 OTKFMXZZTZMOSP-UHFFFAOYSA-N 381.501 3.997 0 40 GHAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(Cl)c(Cl)c1 3640221 ZMNSASKXJIMCIG-AWEZNQCLSA-N 385.272 3.817 0 40 GHAB CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2ccc(Cl)c(Cl)c2)CC1 4241854 HPZXIWOTSJKSMY-AWEZNQCLSA-N 389.279 3.672 0 40 GHAB CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)c2cc(C)ccc2C)cc1 6110828 NSZXTDQGEOYJBW-UHFFFAOYSA-N 397.471 3.638 0 40 GHAB Cc1sc2nc(S[C@@H](C)C(=O)N3CCCC3)n(CC(C)C)c(=O)c2c1C 6141284 CIKLLGUKMQNESP-AWEZNQCLSA-N 393.578 3.834 0 40 GHAB CCn1c(CNC(=O)c2ccco2)nnc1SCc1ccc(Cl)cc1 6226114 VQHKMGYMMJEKSD-UHFFFAOYSA-N 376.869 3.767 0 40 GHAB COCCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc2ccccc21 6295018 BMTGEXUWWNQSIK-BZUAXINKSA-N 375.538 3.716 0 40 GHAB COc1ccccc1[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1cc(C)on1 5242123 GZWCXOQOUGJEFA-LJQANCHMSA-N 388.379 3.848 0 40 GHAB Cc1cc(=O)c(C(=O)Nc2ccc3c(c2)CCC3)nn1-c1ccccc1Cl 5279450 FIKZAUUHOIVVHQ-UHFFFAOYSA-N 379.847 3.935 0 40 GHAB COC(=O)C1(NC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)CCCCC1 65491653 HRZPHGXYZDCYPI-MRXNPFEDSA-N 382.460 3.827 0 40 GHAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)CCCC2 14142359 FQCKLUPOCBJNHX-MRXNPFEDSA-N 391.515 3.747 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccc(F)cc4)ncnc32)cc1 5477820 PJSGSHUOUOHCQW-UHFFFAOYSA-N 393.447 3.994 0 40 GHAB CCCC(=O)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCS(=O)(=O)C1 5485654 SGKOJTROOXRFQL-INIZCTEOSA-N 395.908 3.916 0 40 GHAB CCCSc1nc(SCC(N)=O)c2sc3c(c2n1)COC(C)(C)C3 6760652 IKUNVNKASBWGGT-UHFFFAOYSA-N 383.564 3.622 0 40 GHAB COc1ccccc1OCCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 7737617 IUZKBCJFHGBEHH-UHFFFAOYSA-N 377.444 3.567 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccnn2C2CCCC2)c1 7718603 WCISHUVXTPCFEA-IBGZPJMESA-N 398.507 3.791 0 40 GHAB CC1(C)[C@@H](OCc2ccccc2)C[C@@H]1OC(=O)c1cccc(-n2cncn2)c1 95467936 STRBKUHSXHMELU-PMACEKPBSA-N 377.444 3.808 0 40 GHAB CN(C)c1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)c1 19819360 FMNGBFXQBXRRNF-UHFFFAOYSA-N 386.455 3.603 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1n[nH]c(=O)c2ccccc12 8032148 GNUUKOZZVAPCJR-UHFFFAOYSA-N 377.488 3.810 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)N(C)[C@H](C)c3ccc(Cl)cc3)cnc12 24455527 BCRDSXIDMZDLRW-OAHLLOKOSA-N 383.879 3.968 0 40 GHAB c1ccc(-n2cc(CNC[C@H]3COc4ccccc4O3)c(-c3cccnc3)n2)cc1 8315155 HAZFNMBNCBDBHC-NRFANRHFSA-N 398.466 3.864 0 40 GHAB CC(=O)Oc1ccccc1[C@H]1OC(c2nc(Cl)ccc2Cl)=NN1C(C)=O 17198593 UCWAWPNWFSOGBA-QGZVFWFLSA-N 394.214 3.553 0 40 GHAB COc1cccc(CNC(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 9756850 HVRJXOAWQBXBQB-UHFFFAOYSA-N 382.382 3.774 0 40 GHAB COc1cccc(C(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)n1 95964438 VJWZJIRLASJYKT-LBPRGKRZSA-N 396.472 3.663 0 40 GHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2C)cc1 27754655 HGINCRIHDOXUEZ-SFHVURJKSA-N 385.851 3.924 0 40 GHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)N(C)C1CCCCC1)S(C)(=O)=O 20490886 MUQXBFYGLVSDPZ-AWEZNQCLSA-N 386.945 3.594 0 40 GHAB CC(C)(C)n1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccno2)CC1 306144782 ZOJSAIXTQUPRSJ-UHFFFAOYSA-N 392.459 3.817 0 40 GHAB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc(OC)c2)cc1 408615213 NLKLPNNJMKGGPG-UHFFFAOYSA-N 390.439 3.886 0 40 GHAB COC(=O)c1cc2ccccc2c(OC(=O)c2ccccc2C)c1C(=O)OC 3847792 GCQWGYZWVRFGNG-UHFFFAOYSA-N 378.380 3.941 0 40 GHAB biogenic O=C(c1ccccc1F)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 35596909 XGUJTFQZMCCAIS-AWEZNQCLSA-N 395.390 3.624 0 40 GHAB COC(=O)c1cc(NC(=O)COc2ccc(Br)cc2)ccc1Cl 31056296 YCVHSVIFDPMKDQ-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB COc1cccc(N2CCN(CCC(=O)Nc3ccccc3SC)CC2)c1 30964306 XLBUDDZWASTDEJ-UHFFFAOYSA-N 385.533 3.568 0 40 GHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 72345099 ALVKCYGSORGNPE-XMSQKQJNSA-N 390.527 3.907 0 40 GHAB C[C@H](CN1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1)c1ccccc1 72341397 HSDBRFIPQLBPBP-LAVFITLUSA-N 375.467 3.784 0 40 GHAB O=C(NCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1Br 35672904 KUWSUZSDMGHROI-UHFFFAOYSA-N 390.212 3.611 0 40 GHAB CCc1c(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cnn1-c1ccccc1 30851524 NSYSSWWFNFJXSS-UHFFFAOYSA-N 390.487 3.762 0 40 GHAB Cc1cccc(C)c1OCCNC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C 40113713 SXBJVBMAORKZIU-UHFFFAOYSA-N 394.519 3.638 0 40 GHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(CN2CCOCC2)cc1 224585412 XSNAFDRASYDRFA-QHCPKHFHSA-N 396.531 3.609 0 40 GHAB COc1cccc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c1OC(C)C 82055909 ZVFRGYBKZFWXPC-BOPFTXTBSA-N 384.407 3.714 0 40 GHAB C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc2c(c1)CCC2 223217291 AKFKCKLSSPXLTL-LBPRGKRZSA-N 392.908 3.691 0 40 GHAB COCCn1cc(C(=O)N[C@@H](C)Cc2ccc(-c3ccccc3)cc2)ccc1=O 48272496 JOVKCBMTRYNHNK-SFHVURJKSA-N 390.483 3.523 0 40 GHAB CCOc1ccc(CNC(=O)c2ccc(Cn3ccnc3)cc2)cc1OCC 44905203 DJQDWOISZCTMHG-UHFFFAOYSA-N 379.460 3.659 0 40 GHAB Cc1cc(C)c(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c(C)c1 220475070 FGZHIFZEBDWASF-OAHLLOKOSA-N 378.469 3.544 0 40 GHAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H](C)C(C)C)c2)CC1 225206176 UWVMEKKMEDAMQM-AWEZNQCLSA-N 386.945 3.535 0 40 GHAB CN(Cc1ccc(C(=O)N2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 224407079 JPVGVNPSFGHKNN-UHFFFAOYSA-N 386.517 3.524 0 40 GHAB CN1C(=O)c2cc(NC(=O)COc3ccccc3)ccc2Sc2ncccc21 96232410 PVRJGABVDYTSFS-UHFFFAOYSA-N 391.452 3.840 0 40 GHAB Cc1ccc(N2C[C@]3(CCN(C(=O)c4cccc5cccnc45)C3)CC2=O)cc1 96077385 BLRNAMAWGJNXGJ-XMMPIXPASA-N 385.467 3.812 0 40 GHAB O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H](Cc1ccccc1)CC1CCCCC1 584906636 FKFKBEPDWGREFK-VQTJNVASSA-N 377.550 3.509 0 40 GHAB C[C@@H](NC(=O)Cc1coc2ccccc12)c1cc(F)ccc1N1CCC(O)CC1 585081887 UXPCONAWHHYJRV-OAHLLOKOSA-N 396.462 3.953 0 40 GHAB CCc1nccn1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257321495 WBXRZBOLNHLQBQ-QGZVFWFLSA-N 396.466 3.570 0 40 GHAB Cc1cnn(CC(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c1 257246863 IWDWLKKVXZBLGS-SFHVURJKSA-N 384.867 3.787 0 40 GHAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4)OCC[C@@]31C2 257294576 QUTAGSRUEWGNAZ-DDRMBWNKSA-N 387.520 3.730 0 40 GHAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3ccnc(C)n3)o2)c1 257298481 RLWDGWIYTRBNPT-FQEVSTJZSA-N 392.459 3.740 0 40 GHAB Cn1c(-c2ccc(Oc3cccnc3)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1262901785 KUCGBDHWZZIQFP-QFIPXVFZSA-N 391.475 3.676 0 40 GHAB O=C1C[C@H]2[C@H](CCN2CC2CCCCC2)N1Cc1ccc(-n2cccn2)cc1 585109004 MKCIZBYJYMRYBK-VXKWHMMOSA-N 378.520 3.628 0 40 GHAB Cc1cc(C)n(CCC(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)n1 77781863 FLMWTMWHMCEAFF-QZTJIDSGSA-N 382.552 3.684 0 40 GHAB Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 13684409 KDVPNEREMAULEZ-UHFFFAOYSA-N 389.455 3.646 0 40 GHAB CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712004 NYZJTIKTNRNKAI-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB CCCNS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 13847885 DTKAUHIFFMBDEI-UHFFFAOYSA-N 399.472 3.591 0 40 GHAB COc1cccc(CC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2cc(C)no2)c1 19121323 RUVGWHPOJZSDBV-IBGZPJMESA-N 394.475 3.688 0 40 GHAB O=c1cc(C[C@H](NCc2ccccc2)c2ccccc2)nc(-c2ccccn2)[nH]1 19372690 MFVKFGCGCATWQV-QFIPXVFZSA-N 382.467 3.906 0 40 GHAB Cc1ccc(C2(C(=O)N3CCC[C@@H]3c3cc(CN(C)C)n(C)n3)CCCC2)cc1 19709090 VETFRSLMFRQUKU-JOCHJYFZSA-N 394.563 3.966 0 40 GHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(OC)cc1OC)C3 19816975 WJYHTLGDBAJEKJ-LBPRGKRZSA-N 398.488 3.556 0 40 GHAB CC(C)(C)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 6323370 QZQFLKOOKGMJCX-LDADJPATSA-N 395.434 3.655 0 40 GHAB CCOC(=O)COc1ccccc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 7342922 SKPJATRBXOIHBC-BOPFTXTBSA-N 398.440 3.723 0 40 GHAB Cc1cccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c1 3483598 MFSROKKSFFBMDV-UHFFFAOYSA-N 378.384 3.636 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nncn2-c2ccccc2F)c1 4890408 QBWBPGXKMGTHOY-CYBMUJFWSA-N 384.436 3.728 0 40 GHAB CC(=O)N(c1nc(COC(=O)c2cc(C)no2)cs1)c1ccccc1F 17992736 LYZKLMXHJYVWDU-UHFFFAOYSA-N 375.381 3.620 0 40 GHAB CCCCC(=O)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 4078166 CTKLMCOTKAUTFH-UHFFFAOYSA-N 390.534 3.738 0 40 GHAB CCC(CC)C(=O)Nc1nnc(SCC(=O)Nc2ccc(C)cc2)s1 4077753 XACYIOZPTZASCV-UHFFFAOYSA-N 378.523 3.952 0 40 GHAB CN(Cc1ccccn1)[C@H]1CO[C@@]2(CCCN(C(=O)c3cccc(Cl)c3)C2)C1 2055837516 XYLCRIIJIKJPPF-IRLDBZIGSA-N 399.922 3.631 0 40 GHAB COc1cccc(-c2ccc(=O)n(Cc3nc(-c4cccc(Cl)c4)no3)n2)c1 23126867 JCHRLFHMOYIHAZ-UHFFFAOYSA-N 394.818 3.671 0 40 GHAB CCc1ccc(N2C(=O)[C@H]3N=NN(c4cccc(C(F)(F)F)c4)[C@@H]3C2=O)cc1 101260497 AVCPPPGGYBEPEZ-HOTGVXAUSA-N 388.349 3.766 0 40 GHAB CCOc1ccccc1C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 44006378 CZRGOFOKMUCMLR-UHFFFAOYSA-N 384.451 3.507 0 40 GHAB O=C(Cc1ccc(OC(F)(F)F)cc1)N1CC[C@H](n2cnc3ccccc32)C1 575617699 QKQWHPDYNSKNEJ-HNNXBMFYSA-N 389.377 3.951 0 40 GHAB Cc1noc(C)c1C(=O)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 585532343 QGDDPDYHCQITJR-UHFFFAOYSA-N 383.370 3.636 0 40 GHAB O=C(c1ccccc1Br)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618255550 SKMOVBAHRAGETA-ZDUSSCGKSA-N 398.260 3.686 0 40 GHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2cccc(OC(C)C)c2)nn1 32095451 ODAIFURWEFJHNQ-MRXNPFEDSA-N 393.447 3.890 0 40 GHAB CC(=O)c1ccc(N2CCN([C@@H](C(=O)O)c3c(C)[nH]c4ccccc34)CC2)cc1 20744760 BVIVAZWHJOTYAG-JOCHJYFZSA-N 391.471 3.627 0 40 GHAB CC(C)C[C@@H](NC(=O)Cn1ccc2ccc(F)cc21)c1nnc2ccccn12 40817513 RXUAXDDNJNYVHL-QGZVFWFLSA-N 379.439 3.727 0 40 GHAB CCCCc1ccc([C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)c2cccs2)cc1 32768934 KZCHEECMKMMLQW-IEBWSBKVSA-N 391.558 3.731 0 40 GHAB O=C(c1ccccc1)C1CCN(C(=O)CCc2nc(-c3ccsc3)no2)CC1 32873937 DUTQMGHFENPEQL-UHFFFAOYSA-N 395.484 3.852 0 40 GHAB CN(C)C[C@H](CNC(=O)Nc1cccc2ccccc12)[C@@H](O)c1ccccc1 32912638 AEPLNSPHYKGNIV-UGKGYDQZSA-N 377.488 3.873 0 40 GHAB CCCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1C(C)C 1364225 WVCBAURIBRIRNN-UHFFFAOYSA-N 378.498 3.560 0 40 GHAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C(=S)Nc2cccc(C(F)(F)F)c2)C1 2091316 JOQPWAFSGVNXBP-STQMWFEESA-N 393.434 3.683 0 40 GHAB biogenic CC(C)CNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2253091 RCFJEMIOIAYUSH-UHFFFAOYSA-N 387.487 3.795 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(C[C@H]1CCCO1)C3=O 2402694 UDEGRIFFFUISSP-UZLBHIALSA-N 375.424 3.826 0 40 GHAB O=C(COc1ccccc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3237200 TYZFDLLPRCVVSB-UHFFFAOYSA-N 379.485 3.719 0 40 GHAB O=C(CCSc1ccccc1)NC(=O)COC(=O)c1cccc2ccccc12 3286667 JOGQSNWXSCOBPS-UHFFFAOYSA-N 393.464 3.822 0 40 GHAB O=C(CSc1nnc(-c2ccccc2)n1-n1cccc1)Nc1cccc(F)c1 4518569 UMJZZZGHVPIUMF-UHFFFAOYSA-N 393.447 3.928 0 40 GHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)n2ncnc2N1 4705305 DYUNSQTURWCDMY-KRWDZBQOSA-N 383.814 3.998 0 40 GHAB O=C(COC(=O)c1n[nH]c2ccccc12)NC(c1ccccc1)c1ccccc1 4825050 YYQPQXWNHFPQCX-UHFFFAOYSA-N 385.423 3.626 0 40 GHAB CCCNC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc12 5033110 RSKAAYWMDPDIMP-UHFFFAOYSA-N 389.459 3.694 0 40 GHAB O=C(COc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 5136150 VMEUYYKXHDXESD-UHFFFAOYSA-N 376.412 3.890 0 40 GHAB Cc1ccccc1C(=O)N(Cc1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 5186206 GJOKXCQHMHHQJI-FQEVSTJZSA-N 385.529 3.948 0 40 GHAB Cc1ccccc1-n1c(C)nnc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 5619906 BYDOAMIEYHGUDA-ZDUSSCGKSA-N 377.473 3.974 0 40 GHAB COc1ccc(C(=O)CSc2nnc(COc3ccc(C)cc3)n2C)cc1 6204890 NPUXDEKHQIWGBZ-UHFFFAOYSA-N 383.473 3.686 0 40 GHAB CCOC(=O)COc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 6954974 LNOCYPASQQUXKM-OUYOUGTCSA-N 390.505 3.718 0 40 GHAB C[C@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)N(C)c1ccccc1 7233180 OGYIPIDQDJTJDD-INIZCTEOSA-N 389.455 3.958 0 40 GHAB O=C([C@H]1COc2ccccc2O1)N1CCC(c2nc3ccccc3s2)CC1 7645082 RSACZXBAJLHEAM-GOSISDBHSA-N 380.469 3.842 0 40 GHAB Cc1cccc(NC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1 7736094 XMVUGKOPTCQIEN-UHFFFAOYSA-N 386.498 3.703 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)N(Cc1ccc(F)cc1)C1CCCCC1 7978216 MEBXFNMYBUGJHV-UHFFFAOYSA-N 393.462 3.897 0 40 GHAB COc1cccc(C(=O)NCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1 7987913 BIBLMQCNIAQWGE-JOCHJYFZSA-N 388.467 3.525 0 40 GHAB CCOc1ccc(N2C[C@H](CNC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 9039457 RDNGIQYEUKKGHB-AWEZNQCLSA-N 387.867 3.913 0 40 GHAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(c2ncnc3[nH]cnc23)CC1 9060499 RCLSXUGOVZMGBM-UHFFFAOYSA-N 391.262 3.515 0 40 GHAB COc1cc(-c2noc(-c3cc4cc(C)ccc4oc3=O)n2)cc(OC)c1OC 9431230 YTCOAEGRZROLLY-UHFFFAOYSA-N 394.383 3.844 0 40 GHAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1csc(-c2cccs2)n1 9585096 AZIGJZUHAYGVIU-IBGZPJMESA-N 381.482 3.765 0 40 GHAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(C(=O)c2ccccc2)CC1 9986952 JIENJWHNSVNPKO-HNNXBMFYSA-N 398.890 3.580 0 40 GHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1oc2ccccc2c1C 10700952 TWRHRQXDBSLCSZ-UHFFFAOYSA-N 393.443 3.800 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(CN2CCCCC2)cc1 10737389 YNIZGMKZOZAJCV-UHFFFAOYSA-N 376.504 3.761 0 40 GHAB O=S(=O)(NCc1ccccc1Cn1cccn1)c1c(Cl)cccc1Cl 10959129 YNOJOEWWTMTIFK-UHFFFAOYSA-N 396.299 3.717 0 40 GHAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 10968071 OJKYVODHUJZHMD-HNNXBMFYSA-N 389.517 3.644 0 40 GHAB Cc1cc(-c2cnc(NC[C@@H]3COc4ccccc4O3)nc2-c2ccco2)on1 12184376 WQNDDXAKCUZZNR-CQSZACIVSA-N 390.399 3.952 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12284519 HYXUIXUQEOTSAG-OALUTQOASA-N 379.504 3.523 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(=O)c2cc(Cl)ccc2o1 12633273 CWHWNBONVJASNZ-UHFFFAOYSA-N 384.819 3.535 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(Cc1ccco1)C(=O)O3 12755092 MFCXZJHUHVYXAU-UHFFFAOYSA-N 378.363 3.976 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)cc1 12784708 LRQJKSYOXFVVIH-INIZCTEOSA-N 388.508 3.730 0 40 GHAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1csc(-c2ccccc2)n1 12859228 VWOQWXVWYYXOMK-UHFFFAOYSA-N 393.468 3.535 0 40 GHAB CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cc3ccccc3o2)c1 12925088 OTEFIAMKBCUTDR-CQSZACIVSA-N 386.473 3.611 0 40 GHAB Cc1nc(-c2c[nH]c(C(=O)NCc3ccc(CN4CCCC4)cc3)c2)cs1 14184024 RUYFOEZBTLLIHM-UHFFFAOYSA-N 380.517 3.972 0 40 GHAB O=C(CCNC(=O)NC1CCCCC1)NC(c1ccccc1)c1ccccc1 14198564 VCBIWEKWEOHUKA-UHFFFAOYSA-N 379.504 3.914 0 40 GHAB CCCC[C@H](CC)CNC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C 14229524 OBKOEMLSZUTAQV-ZDUSSCGKSA-N 385.434 3.635 0 40 GHAB CCOC(=O)c1s/c(=N/C(=O)CCCc2nc3ccccc3s2)[nH]c1C 14866373 LTJFBYJNWRNIDV-UHFFFAOYSA-N 389.502 3.621 0 40 GHAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 15200324 JZDJKUFPEJFPLU-UHFFFAOYSA-N 398.528 3.763 0 40 GHAB Cc1nn(CC(=O)Nc2cccc(Cl)c2Cl)c(=S)n1-n1cccc1 16777802 QEDAOTQUBDZZED-UHFFFAOYSA-N 382.276 3.781 0 40 GHAB COc1ccc(C(=O)N[C@@H](NCc2ccccc2)C(Cl)(Cl)Cl)cc1 19333757 NTWRKEFHDSJKQG-MRXNPFEDSA-N 387.694 3.911 0 40 GHAB biogenic C[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C)n1cccn1 19455388 LXXWRSNWPBHUTH-RJSMDTJLSA-N 380.536 3.703 0 40 GHAB CCc1nc2ccccc2n1CC(=O)Nc1cnn(Cc2ccccc2F)c1 19662443 DUPRFYYOYHISJX-UHFFFAOYSA-N 377.423 3.621 0 40 GHAB COc1cccc2cc(C(=O)Nc3nc(-c4cnn(C)c4C)cs3)c(C)nc12 19664804 CBNMHBJTPMLSIE-UHFFFAOYSA-N 393.472 3.970 0 40 GHAB COc1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1OC 20459195 VZODTTJNYPSOSR-UHFFFAOYSA-N 390.288 3.630 0 40 GHAB CC(C)Sc1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20612869 PFYUQRKMSMUNMC-UHFFFAOYSA-N 398.528 3.874 0 40 GHAB CC(C)c1nnc2ccc(N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)nn12 20726455 RJLARKKJEVKIPW-UHFFFAOYSA-N 398.898 3.756 0 40 GHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccncc2)C12CCCCC2 20739764 XNKNCOPQMHXHPH-FQEVSTJZSA-N 393.487 3.609 0 40 GHAB Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 23157765 BPXUOULXXLAUFS-UEKVPHQBSA-N 392.912 3.657 0 40 GHAB COc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCCCCC2)cc1 27583142 QKANRQJWGQOVFH-QFIPXVFZSA-N 382.504 3.808 0 40 GHAB Cc1cccc(N2CCN(CC[C@H](C)NC(=O)c3ccc(F)c(F)c3)CC2)c1 29440029 MQTFEWCRDQGXRT-KRWDZBQOSA-N 387.474 3.604 0 40 GHAB C/C=C/c1cc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc(OC)c1OC 32760847 ODAXBPUEKNFSPJ-BDUNBXCCSA-N 375.852 3.854 0 40 GHAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(NC(N)=O)cc3)s2)cs1 32837333 CNDJOAOGSILGIY-UHFFFAOYSA-N 386.502 3.643 0 40 GHAB CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc(NC(C)=O)cc1)c1ccccc1 32902458 QRLPIBVYPPUYPH-ANCZKMTESA-N 379.504 3.858 0 40 GHAB CCN1CCN(Cc2ccc(CNC(=O)c3cc(Cl)ccc3F)cc2)CC1 32932418 HJKIHMICIXVNAW-UHFFFAOYSA-N 389.902 3.547 0 40 GHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)CN1CCN(c3ccc(F)cc3)CC1)C2 35052917 PCYLJSIICAVAJD-UOAUAQBLSA-N 390.543 3.540 0 40 GHAB CCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)c(C)cc2n2nnnc12 35290952 HNWVMDYNAXZEPO-UHFFFAOYSA-N 387.487 3.876 0 40 GHAB O=C(Nc1nnc(-c2ccc(Br)o2)o1)c1ccc2ncsc2c1 35586405 MLHFZKSKBBXZFW-UHFFFAOYSA-N 391.206 3.954 0 40 GHAB Cc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)nn1 35597980 UEOCOONERLTPBU-UHFFFAOYSA-N 376.388 3.608 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)CC(C)(C)C)c1 42705968 VTBUWPSONZMUAQ-UHFFFAOYSA-N 388.961 3.971 0 40 GHAB O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)c1cc(-c2ccco2)on1 43983404 FLQFSBCNEOVPCK-UHFFFAOYSA-N 395.415 3.575 0 40 GHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cccc(Br)c3)c2)n1 47318235 CPWODUFFJWHGNF-UHFFFAOYSA-N 384.233 3.760 0 40 GHAB CC(C)c1cccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2N)c1 51319291 PAUDNOFQFDFEDX-UHFFFAOYSA-N 385.468 3.652 0 40 GHAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1cccc(OCc2ccccn2)c1 55646930 CCMABJMAUFBWCZ-KSFYIVLOSA-N 390.439 3.678 0 40 GHAB CCOC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)C1 56853788 QVOMNRHCXYZMOW-OLZOCXBDSA-N 387.402 3.687 0 40 GHAB CCc1cc(=O)n(CC(=O)N(CC)c2ccccc2)c(-c2cccc(F)c2)n1 57508120 CTFLNOPUSXAANH-UHFFFAOYSA-N 379.435 3.665 0 40 GHAB COc1ccc2c(c1)OC1(CCN(CC(=O)c3ccc(F)cc3)CC1)CC2=O 57823352 XATXHSDMSZKSGV-UHFFFAOYSA-N 383.419 3.517 0 40 GHAB O=C1C[C@H](C(=O)N2CCC[C@@H]2Cc2ccccc2)CN1c1cc(F)cc(F)c1 58430340 OOHPZAQRZKEJPL-QFBILLFUSA-N 384.426 3.551 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(-n2c(C)c[nH]c2=O)c1 63671067 VEZDCRSBXDTQIJ-UHFFFAOYSA-N 376.391 3.722 0 40 GHAB CCc1noc(C2(NC(=O)c3ccc(Br)cc3)CCCCC2)n1 65257838 VZLBCRZDAQYHHP-UHFFFAOYSA-N 378.270 3.984 0 40 GHAB O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1Cc1ccccc1F 67257934 YQNTXZCOSUVTDZ-UHFFFAOYSA-N 399.223 3.532 0 40 GHAB CCOc1cc(F)ccc1NC(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1 70721076 XGXUIQULEOCEHJ-UHFFFAOYSA-N 398.356 3.541 0 40 GHAB COc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Br)cc2)cc1Cl 72227904 SGOJKGBGNYBXQP-HUUCEWRRSA-N 381.657 3.526 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3ccn(Cc4ccccc4C)n3)n[nH]2)cc1 72265253 BUGKWRCCSPGEHN-UHFFFAOYSA-N 387.443 3.891 0 40 GHAB COCCC(=O)N1CCCC[C@@H]1Cc1c(C(=O)N(C)C)sc2ccccc12 72370522 NUSAFERILGALRS-OAHLLOKOSA-N 388.533 3.563 0 40 GHAB C[C@@H]1[C@@H](C(=O)NCc2ccc(F)cc2)CC=CCN1Cc1cccc2c1OCO2 72391886 GZWMBXRICSWDQA-UZLBHIALSA-N 396.462 3.637 0 40 GHAB Fc1ccc(Br)cc1CNCC1(N2CCOCC2)CCCCC1 84339180 GCHYKFRJRNYHAK-UHFFFAOYSA-N 385.321 3.713 0 40 GHAB O=C(NCCc1ccc2ccccc2n1)C1CCN(c2ccc(Cl)cn2)CC1 89873144 BWRXBYAHTYLPHE-UHFFFAOYSA-N 394.906 3.859 0 40 GHAB CN1CCN(Cc2ccc(-c3cc(C(F)(F)F)cc(N(C)C)n3)cc2)CC1 91695371 VCYPZILDYIIXRW-UHFFFAOYSA-N 378.442 3.581 0 40 GHAB COc1cc(F)cc(CNC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)c1 94058477 NBQHHBIZXHBVEG-SFHVURJKSA-N 386.423 3.652 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)COc2cc(C)nc3c(F)cccc23)c1 95427508 TVNSWFVOPCGCND-AWEZNQCLSA-N 398.434 3.956 0 40 GHAB COC(=O)[C@@H]1CCCC[C@H]1NCc1c(C)nn(Cc2ccccc2)c1Cl 95941293 XRJGTKLOPJECAS-SJLPKXTDSA-N 375.900 3.715 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)NCc1ccccc1-c1ccsc1 96383261 ZSECQITXBUJHLS-UHFFFAOYSA-N 385.510 3.895 0 40 GHAB O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1ccc(C(=O)NC2CC2)cc1 97021877 IIYSIDMQRHVAKW-UHFFFAOYSA-N 399.450 3.828 0 40 GHAB CCn1c(S[C@H](C(N)=O)C(C)(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 97082083 NDPVMVVXIIQRMU-IINYFYTJSA-N 393.578 3.595 0 40 GHAB N=c1c2c(ncn1CCCn1ccnc1)Oc1cc(O)ccc1[C@@H]2c1ccccc1 101120142 OGZUHSJZRWFLIX-FQEVSTJZSA-N 399.454 3.641 0 40 GHAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Br)cc1F 102147965 TXPZBJOAENTQTM-SDDRHHMPSA-N 384.245 3.896 0 40 GHAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 106530845 DKYRKMDFFXPMNF-NHCUHLMSSA-N 395.522 3.680 0 40 GHAB Cc1cc(C)cc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 113965572 SMCJCDCCHPKXBE-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB O=C(CSc1n[nH]c(-c2ccccn2)n1)Nc1cccc(C(F)(F)F)c1 119849576 RMDMTJYJUCENIZ-UHFFFAOYSA-N 379.367 3.616 0 40 GHAB CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C)cc1 222753686 XGCPMPNDLCSGCP-UXHICEINSA-N 378.501 3.873 0 40 GHAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1C 223128198 PFGJVNKXQXTSFZ-QGZVFWFLSA-N 382.460 3.555 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2C)cc1 223469952 YPBQUABYWVCDBL-UHFFFAOYSA-N 398.937 3.630 0 40 GHAB Cc1ccccc1-c1noc(CNS(=O)(=O)c2ccc3ccccc3c2)n1 223591853 HETLITLZHXGGFX-UHFFFAOYSA-N 379.441 3.677 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)c2)c1 223947563 JUCBQMRYSKEMFD-JXXFODFXSA-N 384.501 3.714 0 40 GHAB O=C(NCc1nc(-c2ccccc2Cl)no1)C1(c2ccccc2)CCOCC1 224623351 MDJKURAQFJCKPR-UHFFFAOYSA-N 397.862 3.755 0 40 GHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC[C@H]1COc2ccccc2O1 225267320 ROGWYWZOMQEIIY-PKOBYXMFSA-N 377.440 3.953 0 40 GHAB CSc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1NC(C)=O 225670715 CXAOSMPWTOKESS-QGZVFWFLSA-N 390.530 3.723 0 40 GHAB O=C(c1ccccc1Br)N1CC[C@@H](N2CCc3ccccc3C2)C1 238907195 RXTIGKLAJXZYQR-QGZVFWFLSA-N 385.305 3.722 0 40 GHAB Cc1ccc(NC(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1C 245015154 LOFUZBHGASPXEU-UHFFFAOYSA-N 393.413 3.903 0 40 GHAB O=C(CCc1nc2ccccc2[nH]1)N1CC[C@H](c2noc(-c3cccs3)n2)C1 253397498 FSFQYCOLWXJWQG-ZDUSSCGKSA-N 393.472 3.623 0 40 GHAB O=C(CCSc1ccccc1)NCc1nnc2ccc(-c3cccs3)nn12 253473894 ZMQKPIOVXKBKGH-UHFFFAOYSA-N 395.513 3.651 0 40 GHAB CC(=O)Nc1cccc([C@@H]2CN(C3CCCCC3)C[C@]23CCCCC(=O)N3)c1 257226100 FJDVUFMQBDHKRV-JTHBVZDNSA-N 383.536 3.806 0 40 GHAB Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1 257244713 IMMGITVGLCRXPY-QGZVFWFLSA-N 398.470 3.743 0 40 GHAB NC(=O)c1sc2ncccc2c1C1CCN(C(=O)c2cccc(F)c2)CC1 257268583 MMHQPYLKZBWWIE-UHFFFAOYSA-N 383.448 3.554 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 409383751 DXGVSFXSEZHUMB-CYBMUJFWSA-N 380.897 3.978 0 40 GHAB C[C@@H]1CN(c2ccc(NC(=O)c3sccc3-n3cccc3)cn2)C[C@@H](C)O1 527273775 UDIOFRSVRMRSJX-HUUCEWRRSA-N 382.489 3.800 0 40 GHAB Cc1nnnn1-c1ccc(-c2nc([C@@H]3CCCc4ccccc43)no2)c(F)c1 574765356 XOHIMVJZZDILFS-MRXNPFEDSA-N 376.395 3.628 0 40 GHAB CO[C@H]1C[C@H](NC(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)C1 626345389 HJWVBPVWAVRIFU-MXVIHJGJSA-N 393.487 3.507 0 40 GHAB COc1cccc(Oc2ccc(C(=O)N3CCC[C@H]3c3cn(C)nc3C)nc2)c1 649131099 VWPAFUUTAYSQOK-NRFANRHFSA-N 392.459 3.902 0 40 GHAB CC(C)(C)c1nnc2ccc(NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)nn12 681379325 NGQBFBGHZWVZIC-CYBMUJFWSA-N 386.450 3.638 0 40 GHAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 1133715815 ZMDCOIYRZPSPSG-DSUZTOQUSA-N 390.252 3.810 0 40 GHAB C=CC(=O)Nc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 1639169609 TXKSSVQQWVTOCD-NRFANRHFSA-N 376.456 3.805 0 40 GHAB Cc1c(S(=O)(=O)NC[C@H](O)[C@@H](C)c2ccccc2)sc2cccc(F)c12 1665228904 RLYIBSLRVKVQTP-LRDDRELGSA-N 393.505 3.792 0 40 GHAB CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H](CO)[C@@H]1CN(CC)CC 1772595102 XGLAWRGWFRXVCW-ZTFGCOKTSA-N 386.458 3.506 0 40 GHAB Cc1ccccc1CNC(=O)[C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595874 QFFJRSCJAQPZNW-GIWBLDEGSA-N 394.490 3.842 0 40 GHAB O=C(C1CCN(c2nc3cc(Cl)ccc3o2)CC1)N1CCC(F)(F)CC1 1889136186 VLGCHOOMLHCHHJ-UHFFFAOYSA-N 383.826 3.955 0 40 GHAB CCOC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1 649457 YLVDBDZELKPTHM-UHFFFAOYSA-N 383.473 3.907 0 40 GHAB CCOC(=O)[C@@H]1CCCN(c2cc(C)nc3cc(-c4ccc(F)cc4)nn23)C1 1340710 IQLDQCZQUPNOTH-MRXNPFEDSA-N 382.439 3.623 0 40 GHAB CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1cccc(C)c1)C(F)(F)F 3138029 PNTKESUTOCDXCC-SFHVURJKSA-N 380.366 3.659 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1 3403769 TYLRDMSRFYGRSD-UHFFFAOYSA-N 387.911 3.974 0 40 GHAB Cc1ccccc1-n1c(SCC(N)=O)nc2sc3c(c2c1=O)CCCCC3 3421378 NGSYLZNLPANAIT-UHFFFAOYSA-N 399.541 3.602 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)c1 4327629 WHECYOBIQQYDQD-UHFFFAOYSA-N 390.472 3.534 0 40 GHAB COc1ccccc1OCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1 4593465 FSXFRNAEALBHHI-UHFFFAOYSA-N 375.424 3.735 0 40 GHAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(OC)cc1OC 4679302 WVQSANRWKOSURX-UHFFFAOYSA-N 385.439 3.965 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1F 4814789 FKUGDKCCUWUOFG-NSHDSACASA-N 391.497 3.988 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(C)cc2C)cc1 5591617 IWAQXZOHUMQXAL-GXDHUFHOSA-N 386.517 3.986 0 40 GHAB CCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 5651982 KSOCTUDXGUUQCW-UHFFFAOYSA-N 396.212 3.817 0 40 GHAB COc1ccc(NCC(=O)Nc2ccc(Br)cc2F)c(OC)c1 5687995 QTWCCGFQGAIQCI-UHFFFAOYSA-N 383.217 3.656 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)c1C 6084415 MWNJADMVJBPEIW-UHFFFAOYSA-N 398.246 3.640 0 40 GHAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)c(OCC)c2)SC1=S 6635789 UHXLRUIWMIQOJE-XBUHWIKASA-N 395.502 3.636 0 40 GHAB Cc1c(C(=O)N(C)Cc2ccccc2)sc2nc3n(c(=O)c12)CCCCC3 6840373 MFLBCZISHJUINT-UHFFFAOYSA-N 381.501 3.765 0 40 GHAB Cc1nc(-c2cccc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)c2)cs1 6851136 BYLSYLOXGQQCMD-HNNXBMFYSA-N 381.457 3.699 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C(C)C)c1 6886871 GAKAEFVRAAPQMX-UHFFFAOYSA-N 376.478 3.505 0 40 GHAB COc1ccc(OC)c(Nc2nc(Nc3ccccc3)c3cnn(C)c3n2)c1 6901051 ABEBNXWCVSINQJ-UHFFFAOYSA-N 376.420 3.868 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)Cn1nnc(-c2ccc(Br)cc2)n1 7148641 NAHRFJKZTMVWSA-UHFFFAOYSA-N 396.248 3.775 0 40 GHAB O=c1c2ccccc2nnn1CSc1nc(C(F)(F)F)nc2ccccc12 7160619 FEADBHFUCSMQIZ-UHFFFAOYSA-N 389.362 3.503 0 40 GHAB CCCn1nnnc1CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7470416 RUSJJZPLLFTOBP-SNVBAGLBSA-N 376.511 3.612 0 40 GHAB CC(=O)Nc1cccc(-c2nnc(Sc3ccc(C=O)cc3[N+](=O)[O-])o2)c1 7610274 CEEVTLRJDBGZGI-UHFFFAOYSA-N 384.373 3.567 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N1CCCc2ccccc21 7616759 AFQMLSGSVPTCSZ-UHFFFAOYSA-N 391.500 3.747 0 40 GHAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2ccccc2s1 7767831 JVONUAUIFJCXKC-HNNXBMFYSA-N 385.514 3.787 0 40 GHAB CCc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)sc1C 8088263 JKBIKOHWPDMVEN-UHFFFAOYSA-N 380.535 3.900 0 40 GHAB COc1ccc(C(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)cc1 8302177 QJYBEXBUSNATIT-UHFFFAOYSA-N 397.500 3.995 0 40 GHAB CC(=O)Nc1ccc(NC(=O)C2=NN(c3ccc(C)c(Cl)c3)C(=O)CC2)cc1 8729281 ALYZNOUYHIAVOZ-UHFFFAOYSA-N 398.850 3.728 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 8991532 QFIRSLLYLTVVSM-INIZCTEOSA-N 377.444 3.667 0 40 GHAB Cc1cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc12 9052773 VIPLLBJWWLCGQW-UHFFFAOYSA-N 395.890 3.924 0 40 GHAB Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)Cc2ccccc2)cc1 9095397 QKPHJHWDISUTCK-UHFFFAOYSA-N 394.496 3.867 0 40 GHAB COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)C(C)C)cc1 9210414 HQSZCQSBXYVIHL-UHFFFAOYSA-N 380.444 3.735 0 40 GHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cc1OC 9318069 OAKIKDNPMJFBOK-CYBMUJFWSA-N 399.834 3.928 0 40 GHAB Cc1nc2ccc(NC(=O)CCn3nc(-c4cccs4)oc3=O)cc2s1 9638122 XOPZCHNJELQHEE-UHFFFAOYSA-N 386.458 3.512 0 40 GHAB Cc1c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)oc2ccc(F)cc12 9853299 VOUNYFVVZQVBAD-UHFFFAOYSA-N 380.419 3.915 0 40 GHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCc1cccs1 10092550 FKMSWEKAOBIPCQ-UHFFFAOYSA-N 378.501 3.852 0 40 GHAB COc1cccc(-c2nn3c(COc4ccc(C)cc4)nnc3s2)c1OC 10311970 ZXWLTIVTZZWFFF-UHFFFAOYSA-N 382.445 3.757 0 40 GHAB O=C(Cn1ccnc1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 10809462 BBLKCCSMABFJID-UHFFFAOYSA-N 388.349 3.793 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 10971827 HAUKKBQHFWJHTQ-UHFFFAOYSA-N 382.460 3.648 0 40 GHAB CCOc1ncccc1C(=O)O[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 11480296 XOSJHZDQVNERNS-LLVKDONJSA-N 382.338 3.683 0 40 GHAB O=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1ccc2c(c1)OCCO2 11615534 CGSGTUTZRIWSHQ-UHFFFAOYSA-N 382.850 3.522 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(C(=O)CC(C)C)C2)on1 12123569 WLDKMJIQWHGCQN-INIZCTEOSA-N 381.480 3.753 0 40 GHAB Cc1c(-c2ccccc2)n[nH]c1C(=O)NC1CCN(Cc2cccc(F)c2)CC1 12143787 QJYPBGMPYUUHEZ-UHFFFAOYSA-N 392.478 3.919 0 40 GHAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](NC(=O)CN2CCCCCC2)C1 12221093 UXJLDXJRIUVTPS-LJQANCHMSA-N 393.535 3.544 0 40 GHAB COc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3ccccc3c2)CC1 12292296 FIPHRJBUGLNZBM-QFIPXVFZSA-N 377.484 3.865 0 40 GHAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1ccccc1C(C)=O 12408002 GSGCQHLJXPYADI-UHFFFAOYSA-N 379.412 3.884 0 40 GHAB biogenic C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2c(c1)NC(=O)CO2 12539500 CPUHULKURFZYEE-VIFPVBQESA-N 382.363 3.795 0 40 GHAB O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc(-c2ccccc2)[nH]n1 12604063 SVOVORHKXQBQGE-UHFFFAOYSA-N 389.459 3.503 0 40 GHAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Cl)c1Cl 12777377 CPEMILPXBPMGSG-UHFFFAOYSA-N 385.272 3.786 0 40 GHAB COc1ccc(CC(=O)NCCCO[C@H](C)c2ccccc2)c(OC)c1OC 12857535 APWRDBFVVAAVED-MRXNPFEDSA-N 387.476 3.539 0 40 GHAB CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1C 13005117 SVTOWOIUACGCBL-HNNXBMFYSA-N 385.533 3.692 0 40 GHAB O=C1CC2(CCCCC2)C(=O)N1CN1CCC(c2nc3ccccc3o2)CC1 14244789 RNKNPYVUTKMVCZ-UHFFFAOYSA-N 381.476 3.674 0 40 GHAB C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 15092382 ALMNUYVLSARQMH-HNNXBMFYSA-N 375.472 3.612 0 40 GHAB COc1cc(OC)c(NC(=O)c2nnn(-c3cccc(C)c3)c2C)cc1Cl 15673827 DXGSYOGHRWDKOJ-UHFFFAOYSA-N 386.839 3.807 0 40 GHAB COc1cccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Cl)no3)n2)c1 16844809 KOWXFPPPRZBQHI-UHFFFAOYSA-N 394.818 3.671 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)on1 19119800 GCCJDFLNMNNTNE-NSHDSACASA-N 376.363 3.785 0 40 GHAB CCC(=O)N1CCC[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC(C)C)C1 19498649 JCFWJCQNPAGXRC-DEOSSOPVSA-N 393.531 3.835 0 40 GHAB Fc1ccccc1-c1ccccc1CN1CCC[C@H](c2nnc3n2CCNC3)C1 19710975 JLGDMVAUPJTTCX-SFHVURJKSA-N 391.494 3.567 0 40 GHAB O=C(N[C@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 19799973 WNICOZKZQYTYHJ-YPMHNXCESA-N 386.106 3.535 0 40 GHAB O[C@@H](CSc1ccc(Cl)cc1)CN1CCN(c2ccccc2F)CC1 20385039 OWOREENSKBUPPL-MRXNPFEDSA-N 380.916 3.754 0 40 GHAB CCc1cc(=O)oc2c3c(ccc12)OCN(CCc1ccc(OC)c(OC)c1)C3 20610206 YLBSUOWSEQPYSS-UHFFFAOYSA-N 395.455 3.767 0 40 GHAB biogenic CC(C)CCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 20765831 VRBZPBPWIYTVJO-UHFFFAOYSA-N 386.517 3.604 0 40 GHAB CC(=O)c1sc(NC(=O)Cn2ccc(C(F)(F)F)n2)nc1-c1ccccc1 22380108 QZHDSHXVWAUIKQ-UHFFFAOYSA-N 394.378 3.867 0 40 GHAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N4CCN(C)CC4)cc3)sc2c1 22794948 OHGOGKWWFPWSMM-INIZCTEOSA-N 394.544 3.846 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2sccc2-n2cccc2)cc1 22887786 SLAGHSYRPRDYCL-CQSZACIVSA-N 382.441 3.925 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)Cc1cc(-c2ccc3c(c2)OCO3)on1 23127320 KVVLUEKQDNYYDI-OAHLLOKOSA-N 378.428 3.750 0 40 GHAB CCCCc1noc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)n1 25057259 IJOKYQVPORHSHN-UHFFFAOYSA-N 384.440 3.973 0 40 GHAB CC1CCN(Cc2nc3cc(NC(=O)COc4ccccc4)ccc3n2C)CC1 26120988 BAOCZVVHQOIQAP-UHFFFAOYSA-N 392.503 3.823 0 40 GHAB NC(=O)C1CCN(c2nc(-c3ccccc3)nc3oc(-c4ccccc4)nc23)CC1 28287712 BBSQVTQRPNVEIC-UHFFFAOYSA-N 399.454 3.654 0 40 GHAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(O)cc1O 28853944 RFFVMSBABFYVPV-UHFFFAOYSA-N 381.457 3.590 0 40 GHAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1ccccc1Oc1ccccc1 29871659 NGSMVMBKOVEZEP-UHFFFAOYSA-N 399.472 3.781 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1ccccc1C(F)(F)F)CC(O)=N2 31818694 ANDQTNSLTYDOFZ-LLVKDONJSA-N 389.337 3.819 0 40 GHAB COc1ccc(-c2csc(CCNC(=O)c3cc(OC)cc(OC)c3)n2)cc1 31848800 BMGGVAPIAUDAHM-UHFFFAOYSA-N 398.484 3.808 0 40 GHAB Cc1ccc(-c2noc(COc3ccccc3C(=O)NC[C@@H]3CCCO3)n2)cc1 32579112 BVHHNWGOPOVJIU-KRWDZBQOSA-N 393.443 3.533 0 40 GHAB CCN(Cc1ccc(-n2nc(C)cc2C)cc1)Cc1nc2ccccc2c(=O)[nH]1 32836152 BBECYLMZDMIBAW-UHFFFAOYSA-N 387.487 3.748 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2ncccc2c1=O 32876466 UTIPUZYAWSIAGP-UHFFFAOYSA-N 388.880 3.504 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 32903732 XRFKCSJUGIMFEQ-HNNXBMFYSA-N 384.819 3.907 0 40 GHAB O=C(Nc1nnc(SCCN2CCCCC2)s1)c1ccc(F)cc1F 35316100 MOXNVEKJXZHUCS-UHFFFAOYSA-N 384.477 3.647 0 40 GHAB COc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 39773506 XNWPLBZOTYCKNU-UHFFFAOYSA-N 384.495 3.795 0 40 GHAB CC(C)c1ccc(C(=O)N2CCN(C(=O)CCNc3ccccc3)CC2)cc1 40072276 SOEVTOCJZMCLRM-UHFFFAOYSA-N 379.504 3.597 0 40 GHAB CCC(=O)N1CCc2cc(C(=O)NCc3ccccc3OC(F)(F)F)ccc21 40144141 IHRVCUCRPXTUDI-UHFFFAOYSA-N 392.377 3.814 0 40 GHAB COCCOc1ccc(CNC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc1 40157228 JPGSBJMIGPCQSR-UHFFFAOYSA-N 378.472 3.956 0 40 GHAB COCc1ccccc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 44549612 QPCVTUHAFUFAOW-WWKNUYBVSA-N 396.531 3.979 0 40 GHAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O 44840173 IWDBBJRCNVLKPZ-QGZVFWFLSA-N 393.487 3.698 0 40 GHAB Cc1ccc(-c2noc([C@@H](C)Nc3cccc(NS(C)(=O)=O)c3)n2)cc1F 45811937 VNXUDNHRZXOXPZ-GFCCVEGCSA-N 390.440 3.729 0 40 GHAB Cc1cccc(-c2nc(CSc3nc4ccc(C)cc4c(=O)n3C)no2)c1 48353748 TYWCASSZPVXBAN-UHFFFAOYSA-N 378.457 3.893 0 40 GHAB CCc1c(C(=O)N2CCC[C@H](c3nc(C)no3)C2)cnn1-c1cccc(Cl)c1 54662252 JQYNOICZVBDXAN-AWEZNQCLSA-N 399.882 3.799 0 40 GHAB O=C(N[C@@H](CC(F)(F)F)c1ccccc1)[C@@H]1CCCN(c2cnccn2)C1 55868416 KMNAUNNQYHGQIQ-CVEARBPZSA-N 378.398 3.503 0 40 GHAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1CCCN1C(=O)C1CC1 58159166 XWOYBSXTXVQXSL-LLVKDONJSA-N 381.910 3.865 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccc(OC)c(F)c2)c1C 58170510 BWBHKDCHFJOPKF-AWEZNQCLSA-N 390.455 3.659 0 40 GHAB CCOC(=O)c1sc2ncc(S(=O)(=O)N(C)c3ccccc3)cc2c1C 58310119 OCXZORPXCGCDNH-UHFFFAOYSA-N 390.486 3.607 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@H]1c1ccc(F)cc1 59227888 OSHYPGVPVIBFLY-KRWDZBQOSA-N 384.798 3.670 0 40 GHAB CCCN(CC(=O)N(C)C)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C 64302993 HQQGKLMGPLTANG-UHFFFAOYSA-N 387.427 3.564 0 40 GHAB CS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cn1 65777164 OUEHLWKVPRYIQX-UHFFFAOYSA-N 379.441 3.700 0 40 GHAB COc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1Br 70135713 XWWCFYLTNLSFQJ-UHFFFAOYSA-N 378.332 3.951 0 40 GHAB CCc1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 72350585 WQGWNOAMZADSPM-LJQANCHMSA-N 389.503 3.564 0 40 GHAB CCCN1CCN(C(=O)C2CCC2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351899 VDFFJZBFUHPTEL-JOCHJYFZSA-N 391.515 3.541 0 40 GHAB O=C(c1cnccn1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359526 MDHBJAZTVIMNPC-OAHLLOKOSA-N 379.851 3.607 0 40 GHAB CCc1nn(C)c(C(=O)N2CCC[C@@H]2c2ccnc3cc(C(C)(C)C)nn23)c1C 72391722 OEYLIJVFLAZDHA-MRXNPFEDSA-N 394.523 3.608 0 40 GHAB Cc1c(C(=O)OC[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cnn1C 78822666 CIDCYMGAPMSHGH-MAUKXSAKSA-N 395.425 3.987 0 40 GHAB CC(C)Cc1cc(NS(=O)(=O)/C=C/c2ccccc2Br)[nH]n1 84575096 LXYXYEOUCGDYJL-BQYQJAHWSA-N 384.299 3.783 0 40 GHAB C[C@@H]1CCc2ccccc2[C@H]1NC(=O)CCN1C(=O)CCc2cc(F)ccc21 89930134 RKIJKQAUNRRBGK-CMJOXMDJSA-N 380.463 3.935 0 40 GHAB COc1ccc(CCNC(=O)Nc2ccc(-c3cnc4n3CCC4)cc2)cc1 90607230 CLOJFXWSUIYXEF-UHFFFAOYSA-N 376.460 3.869 0 40 GHAB CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc3c(OC)ccnc23)c1 95453591 BWTXSVVBHASAPR-UHFFFAOYSA-N 399.472 3.647 0 40 GHAB O=C(C[C@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21)NC1CC1 96052992 QMRZLXYTVVGWCW-IBGZPJMESA-N 375.516 3.771 0 40 GHAB COC(=O)c1ccc([C@@H]2CC(=O)Nc3ncn(-c4cccc(Cl)c4)c32)cc1 96335708 KWDKEKKCSCCTBI-INIZCTEOSA-N 381.819 3.786 0 40 GHAB O=C1COc2c(cccc2C(=O)Nc2cnccc2Nc2ccc(F)cc2)N1 97046249 QBDLHPNHCXTOAG-UHFFFAOYSA-N 378.363 3.548 0 40 GHAB CC1=C(C)C[C@H]2C(=O)N(c3ccc(I)cc3C)C(=O)[C@H]2C1 100652311 QHYIXOSSJDJVMH-OKILXGFUSA-N 395.240 3.835 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C[C@H](O)COC(C)(C)C)CC2 103357628 KTNAMCPZFFKBAY-WMZHIEFXSA-N 399.531 3.827 0 40 GHAB CC1=N[C@@]2(CC[C@@H]3CN(C(=O)Nc4ccccc4C)C[C@@H]32)C(=O)N1CC(C)C 107272823 QZHKVEQEDIPREH-KGVIQGDOSA-N 382.508 3.524 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCc1ccccc1 217525290 POEMFEGFOBUKSQ-OAHLLOKOSA-N 390.505 3.506 0 40 GHAB Cc1ccc(N2CCC(C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)cc1 219863987 VREWNYSLGPRATG-UHFFFAOYSA-N 377.488 3.977 0 40 GHAB Cc1nc(C(=O)N2CCC[C@H](Cc3nc(-c4ccccc4F)no3)C2)cs1 220674889 IKPMGOAPUOWZSZ-CYBMUJFWSA-N 386.452 3.736 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 223020062 IMBCFZZXAJDGTJ-VQTJNVASSA-N 396.491 3.630 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCCCOC1CCCCC1)CCCC2 223334699 IUNGDCDBFHVAJI-UHFFFAOYSA-N 381.538 3.592 0 40 GHAB O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccc(Cl)cc1 224257830 FWDLBMQYCIUOOY-UHFFFAOYSA-N 393.878 3.709 0 40 GHAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224720760 HEAJHUQCIGBSPB-UHFFFAOYSA-N 388.272 3.995 0 40 GHAB Cc1cccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC(C)C)c1 225508030 WKCMRXCKXLUNRA-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB COc1cccc2cc(C(=O)NC[C@@](O)(c3ccco3)c3cccs3)oc12 225586701 APWDOPPEBOBPQK-HXUWFJFHSA-N 383.425 3.762 0 40 GHAB COc1cccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC(C)C)c1 225660698 MSFZHKRWCXBYGF-IBGZPJMESA-N 396.531 3.796 0 40 GHAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225675817 LMGUPXYIEUNYRQ-UHFFFAOYSA-N 376.503 3.833 0 40 GHAB COc1ccc(NC(=O)Cn2ccc(=O)c3cc(Cl)ccc32)cc1Cl 225723678 DCWYITJLTVBVPV-UHFFFAOYSA-N 377.227 3.956 0 40 GHAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2ccc(C)c(C)c2)cc1C 225863674 JXOYMCIIJIJOCX-KRWDZBQOSA-N 377.506 3.675 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2C)c1 225929767 KYQDSAZEPARFPA-UHFFFAOYSA-N 380.897 3.524 0 40 GHAB CN1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccnn1 257260885 LEXJXQILYPMCLN-QMDPOKHVSA-N 390.531 3.565 0 40 GHAB COc1cc([C@H]2C[C@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc2c1OCCO2 257324062 WMYZDBYPYBEJOC-SLAYFEJOSA-N 389.492 3.627 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2N1Cc1ccccn1 306137535 QZFIHNGFOKFXDX-NHCUHLMSSA-N 392.890 3.618 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc[nH]2)C1=O 409319120 ALEHCXPNUKRYGJ-RIYZIHGNSA-N 375.837 3.652 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3(c4cc(C)cc(C)c4)CC3)C2)nc1 515679694 PBFZPPYRENTLAM-IBGZPJMESA-N 391.515 3.916 0 40 GHAB C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)Cn1cc(C(N)=O)c2ccccc21 545905551 UWXFYWDNGWELKG-OYHNWAKOSA-N 375.472 3.570 0 40 GHAB Cc1nn(-c2cccc(F)c2)cc1C(=O)N1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2 573501598 XEWGZDTYDHTMNA-RTBURBONSA-N 391.450 3.514 0 40 GHAB O=C1C[C@H]2[C@H](CCN2C(=O)OC2CCCC2)N1Cc1ccc(OC(F)F)cc1 585109091 UGRLIBVPTAOZDM-IRXDYDNUSA-N 394.418 3.542 0 40 GHAB Cc1cc(C)nc(N2CCC[C@@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)n1 1565542269 MNCAVFTYFRAMFY-JOCHJYFZSA-N 382.483 3.784 0 40 GHAB Cc1nc(CN2CCC[C@@]3(CCCN(C(=O)c4ccnc(F)c4)C3)C2)cs1 2056224248 NFRATBWAMHRDLR-HXUWFJFHSA-N 388.512 3.504 0 40 GHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCOCC1 1175250 CXIXDLYRFFKBLR-DHZHZOJOSA-N 377.419 3.550 0 40 GHAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccc(O)cc4)nc32)cc1Cl 2399953 UIEFKPPBSGJRPS-UHFFFAOYSA-N 376.807 3.798 0 40 GHAB COc1ccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)c(OC)c1 2468227 KMKMEGPIOWBPLY-UHFFFAOYSA-N 387.436 3.759 0 40 GHAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N1CCc2ccccc2C1 2664970 ZLOWSFHSZXFTBZ-HNNXBMFYSA-N 394.496 3.746 0 40 GHAB CC1CCN(C[C@@H](C)NC(=O)[C@H](C)n2nc(C(F)(F)F)cc2C2CC2)CC1 2782158 IEEZDAXKFHOJQQ-KGLIPLIRSA-N 386.462 3.577 0 40 GHAB O=C(COc1ncnc2sc3c(c12)CCCC3)NCCCc1ccccc1 3289570 GPGKPTCBQSYJCR-UHFFFAOYSA-N 381.501 3.698 0 40 GHAB O=C(COc1ncnc2ccccc12)Nc1ccccc1C(=O)c1ccccc1 3303537 CKJABTHSKHPDSH-UHFFFAOYSA-N 383.407 3.878 0 40 GHAB CCC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 3580170 MPYXMEHVTQYDDL-HNNXBMFYSA-N 381.501 3.783 0 40 GHAB O=C(Nc1ccc(Cl)cc1Cl)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 4023847 MQOGQOURAZOPPE-NWDGAFQWSA-N 378.259 3.806 0 40 GHAB biogenic Cc1cc(=O)oc2cc(OC[C@H]3CC(c4ccc(N(C)C)cc4)=NO3)ccc12 4079941 JQEUCPJVXCGZKL-GOSISDBHSA-N 378.428 3.739 0 40 GHAB biogenic CC(C)c1ccc(-c2csc(NC(=O)[C@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)O)n2)cc1 4180046 QGYBQIBQXQSKFO-QZWWFDLISA-N 386.473 3.750 0 40 GHAB CCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2ccccc21 4484588 BSQVJNXSEIORCH-UHFFFAOYSA-N 399.516 3.524 0 40 GHAB Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)N2CCCC2)c2ccccc2n1C 4734674 HOXAUMUQOMRVNC-HSZRJFAPSA-N 387.483 3.654 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1OC 4741604 ABEXCDMRYMZJRL-HXUWFJFHSA-N 393.443 3.906 0 40 GHAB COc1cccc(-n2nnnc2SCC(=O)Nc2cccc3ccccc23)c1 5016202 DPAJQPOBKAORAX-UHFFFAOYSA-N 391.456 3.555 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 5045460 GYCFLJZMFDJMGS-ZGKFYVQTSA-N 389.904 3.569 0 40 GHAB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccco1 5136647 OVMCJWQWDVGNKD-UHFFFAOYSA-N 382.441 3.673 0 40 GHAB C[C@H](OC(=O)c1ccc(Br)o1)C(=O)Nc1ccc(F)c(F)c1F 5506959 FBYCWZVRXVCIPU-LURJTMIESA-N 392.127 3.643 0 40 GHAB COCCn1c(C)cc(C(=O)CSc2nnc(C)n2-c2ccccc2)c1C 6109189 BBLLUXFCTKEICQ-UHFFFAOYSA-N 384.505 3.615 0 40 GHAB CN(C)CCn1cnc2c(c1=N)[C@H](c1ccccc1Cl)c1ccc(O)cc1O2 6661004 BZZHNBOVVHBYHL-GOSISDBHSA-N 396.878 3.569 0 40 GHAB O=C(CSc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 6885459 TVZVFMYVFFTHOQ-UHFFFAOYSA-N 390.530 3.592 0 40 GHAB O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCOCC2)cc1 7504672 NEJINGLMAXKWSA-UHFFFAOYSA-N 379.229 3.677 0 40 GHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 7505018 UTNUBNXAZFKGIR-CQSZACIVSA-N 396.384 3.961 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1C(F)(F)F 7769218 JQCYUTMJLLAQFG-UHFFFAOYSA-N 398.406 3.742 0 40 GHAB O=C(NCc1nnc2ccccn12)c1ccc(-c2nc3ccccc3s2)s1 8133303 VPNQRRLYZYZYMM-UHFFFAOYSA-N 391.481 3.998 0 40 GHAB COc1ccccc1-c1nc(-c2ccc3c(c2)CCN3S(C)(=O)=O)cs1 8225569 LPLOMJOCYXZEFN-UHFFFAOYSA-N 386.498 3.808 0 40 GHAB COc1ccc2c(CC(=O)NC[C@H](c3ccco3)N3CCCCC3)coc2c1 8270800 JETMHXGANDONLZ-LJQANCHMSA-N 382.460 3.920 0 40 GHAB CS(=O)(=O)c1ccc(-c2csc(NC(=O)Nc3ccccc3F)n2)cc1 8781859 MKCJFICMUBYXSY-UHFFFAOYSA-N 391.449 3.997 0 40 GHAB CCn1c(SCCOc2ccccc2)nnc1-c1ccc2c(c1)OCCO2 9096211 WYJCAOZPHAATOK-UHFFFAOYSA-N 383.473 3.907 0 40 GHAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)cc2)cs1 9313805 MUPWSIAJAWCSOX-ZDUSSCGKSA-N 392.484 3.904 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)Cn1ccn2nc(-c3ccccc3)cc2c1=O 9321005 JQISCTQPKMZCTD-UHFFFAOYSA-N 392.846 3.764 0 40 GHAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Cl)c(N2CCCC2=O)c1 9748688 NDYLLLWGOGKOPZ-UHFFFAOYSA-N 397.862 3.846 0 40 GHAB CN1C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2Oc2ccccc21 9827877 HDEKWGOLURLWCW-UHFFFAOYSA-N 386.454 3.931 0 40 GHAB CSc1cccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10370184 AYUMHALOQDGBGB-OAHLLOKOSA-N 392.546 3.819 0 40 GHAB CCN(C(=O)COC(=O)/C=C/c1c(C)nn(C)c1C)c1cccc2ccccc12 10439649 NFSQFDZYOXOCPT-BUHFOSPRSA-N 391.471 3.800 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccccc2Cn2cccn2)c1C 10958992 MXPIYGTUMKUFDZ-UHFFFAOYSA-N 383.517 3.644 0 40 GHAB CCOc1ccc(CCC2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 11053546 NYJOIXVPQXSDNC-UHFFFAOYSA-N 397.544 4.000 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)COC(=O)CSc2ccccc2C)c1C 11498012 AMZITCFHINXHTG-UHFFFAOYSA-N 389.473 3.635 0 40 GHAB O=C(c1ccncc1)N1C[C@@H](c2cc(C(F)F)[nH]n2)[C@H](c2ccc(F)cc2)C1 12128792 FOJTZCYZWSSSOB-JKSUJKDBSA-N 386.377 3.905 0 40 GHAB CCC(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 12365824 HNDUJOWHQIEDDN-KSSFIOAISA-N 379.476 3.901 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c1 12526326 SJAQDHOMYYQFIB-UHFFFAOYSA-N 396.877 3.846 0 40 GHAB O=C(C1CCN(Cn2c(=S)oc3cc(Cl)ccc32)CC1)N1CCCC1 12645451 JXTIVAUQTRGHCX-UHFFFAOYSA-N 379.913 3.909 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(F)c3c2C(=O)C[C@H]3C)cc1OC 12781019 FIQIIUIXEUDGTC-NEPJUHHUSA-N 387.407 3.939 0 40 GHAB COc1cc(/C=C/C(=O)N(C)CCOc2ccccc2F)ccc1OC(F)F 12918527 XMAQMTVSAFPTQN-CSKARUKUSA-N 395.377 3.986 0 40 GHAB O=C(CCSCc1csc(-c2ccco2)n1)NC(=O)NC1CCCC1 12948097 MVFDOFBPBAUNHC-UHFFFAOYSA-N 379.507 3.795 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1OC 14086392 KXUNXWFZPSNCNH-NSHDSACASA-N 389.395 3.762 0 40 GHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc3ccccc3o2)c1 14187258 HGNFNCBNFIQASC-UHFFFAOYSA-N 393.848 3.694 0 40 GHAB Cc1cccc(-c2nnc([C@@H](C)Sc3n[nH]c(=O)n3Cc3ccccc3)o2)c1 16804063 CAJJKBZEXCQKPT-CQSZACIVSA-N 393.472 3.831 0 40 GHAB COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Cl)no3)n2)cc1 16844846 FQROCZWDPXNBCJ-UHFFFAOYSA-N 394.818 3.671 0 40 GHAB Fc1ccccc1N1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CC1 17283590 NCLXTIRMCGZUBA-UHFFFAOYSA-N 376.859 3.963 0 40 GHAB CC(C)(C)CC(=O)N1CCC[C@](Cc2ccccc2-c2cccnc2)(C(N)=O)C1 19082602 PCTVWKFFSRSWDQ-XMMPIXPASA-N 393.531 3.821 0 40 GHAB O=C(CC1CCCC1)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19344010 DUIFDMMUXZSKCY-UHFFFAOYSA-N 381.505 3.765 0 40 GHAB O=C(CCCc1nc(-c2ccccn2)no1)N1CCC[C@@H](Cc2ccccc2)C1 19370552 VGXNMGMSGQMHSO-IBGZPJMESA-N 390.487 3.936 0 40 GHAB COc1ccccc1CN(C)C(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 20049754 OPAGCHSLSFQBDK-CQSZACIVSA-N 375.490 3.852 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)C1CCCCC1 22508605 IBTBNQIDMFIZNC-UHFFFAOYSA-N 392.565 3.964 0 40 GHAB O=c1[nH]nc(SCc2cccc(Br)c2)n1CCc1ccccc1 22615858 ARHMQCHNDWPWIZ-UHFFFAOYSA-N 390.306 3.869 0 40 GHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cc(-c2ccc(Cl)cc2)n[nH]1 26997511 HUMBNPCAYZKSSH-UHFFFAOYSA-N 380.835 3.875 0 40 GHAB C[C@H](c1nc(C(C)(C)C)no1)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 27307342 RFAOLUAHZHUXBQ-GFCCVEGCSA-N 398.429 3.852 0 40 GHAB Cc1ccc2oc(C(=O)NCC3(N4CCN(C)CC4)CCCCC3)c(C)c2c1 28402911 LHDRRZAEJTZSRP-UHFFFAOYSA-N 383.536 3.730 0 40 GHAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1cccc(OCc2ccccc2)c1 32812511 FFOMZDWWWFXXMA-HXUWFJFHSA-N 380.444 3.751 0 40 GHAB O=C(CCSc1nnc(C2CCCCC2)o1)Nc1ccc2c(c1)OCO2 32871113 IPAJCZOIXSXWGG-UHFFFAOYSA-N 375.450 3.967 0 40 GHAB CCOC(=O)CC(=O)CSc1nc(-c2ccccc2)c2nc(C)sc2n1 35682725 DWVBWLHIMYAUCZ-UHFFFAOYSA-N 387.486 3.676 0 40 GHAB COc1ccc(-c2csc(-c3cc(NC(=O)C4CC4)n(C)n3)n2)cc1OC 35683143 NMRNBINQCHZWOL-UHFFFAOYSA-N 384.461 3.576 0 40 GHAB CC(C)OC(=O)N[C@H](C(=O)N[C@@H](C)c1nc2ccc(F)cc2s1)C(C)C 38276328 USRKFGIXLGKMKU-NHYWBVRUSA-N 381.473 3.772 0 40 GHAB biogenic CCOc1ccc(NC(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1 38572388 UBHUWXXFFSUINO-OAQYLSRUSA-N 383.492 3.670 0 40 GHAB O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCc2ccccc21 40143246 NWMMWSNXSVLWQM-UHFFFAOYSA-N 384.482 3.752 0 40 GHAB Cc1ccc(C(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1F 47324242 LVPXNZDJDWXFLX-UHFFFAOYSA-N 375.831 3.777 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Oc2ccncc2)cc1 50490495 TWQWTFNGEJYJEH-LJQANCHMSA-N 379.416 3.860 0 40 GHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1 57169479 WFYFYDXMVAXAPU-VXKWHMMOSA-N 377.532 3.541 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ccc(O)cc2)CC1 57406104 DPAUWVMFJIUULA-ZDUSSCGKSA-N 394.302 3.848 0 40 GHAB CCOC(=O)C1CCN([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1 57406150 WKULKHLBQIVALR-OAQYLSRUSA-N 380.488 3.950 0 40 GHAB C[C@@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccc(Cl)cc1 57604092 RQNUVKIMFHIAMP-LLVKDONJSA-N 391.924 3.669 0 40 GHAB Cc1cc(NCC(=O)N2c3ccccc3CC[C@@H]2C)ccc1N1CCCC1=O 57653114 PJOTYNKFLFFUIQ-KRWDZBQOSA-N 377.488 3.902 0 40 GHAB COc1ccc(-c2cc(C(=O)N3C[C@H](C)N(Cc4ccco4)C[C@@H]3C)no2)cc1 57796522 MYAYOHNOYMYFQX-HOTGVXAUSA-N 395.459 3.678 0 40 GHAB C[C@H](C(=O)N1CCCc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 58165271 NCIDMIAEFIZBGD-QGZVFWFLSA-N 383.923 3.830 0 40 GHAB O=S(=O)(Nc1ccccc1OCc1cscn1)c1ccc(F)cc1F 58202325 SZAVKBQPAMABPP-UHFFFAOYSA-N 382.413 3.801 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)c1[nH]c2ccccc2c1Cl 58280991 FNEUFISCFKOGMT-UHFFFAOYSA-N 378.819 3.679 0 40 GHAB Cc1cc(C(=O)NC[C@@H]2CSCCS2)cc(C)c1OCc1cccnc1 79054428 DLZSPRCKDGXPHF-GOSISDBHSA-N 388.558 3.856 0 40 GHAB CN(C)c1ncccc1CNCc1cccc2c1N(C(=O)OC(C)(C)C)CC2 79097388 VWVLUDDRPKXTFG-UHFFFAOYSA-N 382.508 3.735 0 40 GHAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc([C@@H]3N[C@@H](C(=O)O)CS3)c2)n1 91695233 RHKKNMNUTJDXCR-GDBMZVCRSA-N 397.422 3.622 0 40 GHAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)c3cccs3)CC2)Oc2ccccc21 96053188 IXWADPLEMSJYLF-INIZCTEOSA-N 398.528 3.768 0 40 GHAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(F)c(F)c2)C3)cc1 96269252 AZCQAMYONSRCHE-KRWDZBQOSA-N 385.414 3.526 0 40 GHAB biogenic,in-vitro CC(=O)c1ccc(NC(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 102168058 CZFOYOZEPJEEAN-VKFLQFAXSA-N 389.879 3.949 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O)N1CCCCC1 106757002 VEFMOGGGRHKGJH-ZROIWOOFSA-N 382.844 3.528 0 40 GHAB COC(=O)[C@H](C)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925094 KTYGJLFJXQXPCP-OYZKAIFPSA-N 376.537 3.850 0 40 GHAB CC[C@H](C(=O)N[C@H](C)c1ccc(C)c(C)c1)N(c1ccccc1)S(C)(=O)=O 219087635 SMVXCNHJIBTPRY-YLJYHZDGSA-N 388.533 3.725 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 222439715 KVHGIEXJUSYOBL-GOSISDBHSA-N 384.545 3.700 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccccc1 222938786 CPNVGANCICNLLF-MRXNPFEDSA-N 388.508 3.861 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCOc1ccccc1 222968803 UCAVOAZFEYVFAV-KRWDZBQOSA-N 386.467 3.538 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 223650014 GISFOPNVHOCFPV-UHFFFAOYSA-N 376.503 3.645 0 40 GHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)N2CCCCCC2)c1 224116149 HMLGWAJIAVNGJK-UHFFFAOYSA-N 386.517 3.836 0 40 GHAB CN(c1cccc(C(=O)NC2CCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 224265946 WBWKIPGVPTVOFJ-UHFFFAOYSA-N 392.908 3.838 0 40 GHAB COc1ccc(CC(=O)NCCn2nc(C)c(-c3ccccc3)c2C)cc1OC 238839970 HQCRHFMWIKLYNS-UHFFFAOYSA-N 393.487 3.543 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(Cc3nccn3C(C)C)C2)ncn1 257333150 YAJBLLWMPJJCDG-KRWDZBQOSA-N 380.496 3.590 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260572667 PYOKPORQYVBGKD-FTRWYGJKSA-N 384.501 3.714 0 40 GHAB O=C(O)CN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 408593008 NXAMLGMCCGYFNX-KPKJPENVSA-N 394.861 3.530 0 40 GHAB O=S1(=O)CCC[C@@H](Cc2nc(C3(c4ccc(F)cc4F)CCCC3)no2)C1 556341028 AEFLURLHSSQCPX-ZDUSSCGKSA-N 396.459 3.575 0 40 GHAB O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)N1Cc2cnn(-c3ccccc3)c2C1 556741429 POEDSKVCTKNUKS-XMSQKQJNSA-N 388.471 3.675 0 40 GHAB O=c1ccc(C2CC2)nn1C1CCC(Nc2ncnc3ccc(F)cc23)CC1 585620606 ACUWQBFHMHDXRY-UHFFFAOYSA-N 379.439 3.799 0 40 GHAB CCSCc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)no1 600538012 VQOMMHFSVOTFRQ-LBPRGKRZSA-N 383.876 3.729 0 40 GHAB O=C1CCc2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)ccc2N1 680425769 OTBVDSHNFZTGKT-FQEVSTJZSA-N 397.906 3.792 0 40 GHAB CC(C)n1cnc2ccc(CNC(=O)c3cnn(C)c3Cc3ccccc3)cc21 1651228557 DZEWZYQGKKZPNY-UHFFFAOYSA-N 387.487 3.872 0 40 GHAB O=c1c2ccccc2ncn1CC1CCN(c2ccc(C(F)(F)F)cn2)CC1 1775972456 HBTBTYJWLZHIJY-UHFFFAOYSA-N 388.393 3.727 0 40 GHAB Cc1cccc(F)c1C(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2 2055793589 ZVCKDNQRRMTOEZ-UHFFFAOYSA-N 398.453 3.928 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)Nc2ccc(F)c(Cl)c2)c1C 630567 CFKFCNOXLVYEMK-UHFFFAOYSA-N 398.887 3.630 0 40 GHAB O=C(O)CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 808243 MZNZQGHIZHGQHD-HXUWFJFHSA-N 388.427 3.562 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)o2)c(OC)c1 929427 SNFXEPGNHDLZKG-CHWSQXEVSA-N 391.493 3.635 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccccc3Cl)cc2c1 1327081 DZPGTHMRQFTMKY-UHFFFAOYSA-N 399.878 3.770 0 40 GHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCN4C(C)=O)cs2)cc1 1365458 QYFHHSZTNGYDPG-UHFFFAOYSA-N 393.468 3.980 0 40 GHAB Cc1ccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c3nnnn3c2c1 1367288 AMBGROBUHOXZIO-UHFFFAOYSA-N 375.432 3.764 0 40 GHAB CCN(CC)c1ccc2cc(C(=O)NC(=O)Oc3ccccc3)c(=O)oc2c1 1614351 KBUBZCZGTCSBIA-UHFFFAOYSA-N 380.400 3.568 0 40 GHAB Cc1ccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)c(Br)c1 2129540 VXQCKJKWHMGFKV-UHFFFAOYSA-N 399.244 3.586 0 40 GHAB biogenic CCOC(=O)[C@](NC(=O)[C@@H](C)CC)(Nc1cccc(Cl)c1)C(F)(F)F 2311850 CUKRKFBZOHBYGL-ZUZCIYMTSA-N 380.794 3.736 0 40 GHAB O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccc(Br)cc1 3024307 BGIWNVKANRASSV-UHFFFAOYSA-N 396.291 3.768 0 40 GHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@H]1CCCc2ccccc21 3321163 UBBDRVMFTOTSBQ-ICSRJNTNSA-N 386.442 3.913 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(F)cc3)n2C)c1 3331762 GRVJQZOILBMPPH-ZDUSSCGKSA-N 398.463 3.943 0 40 GHAB Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccsc4c(=O)s3)C2)cc1 4878279 OOCGUJPFOKKFEE-OAHLLOKOSA-N 399.541 3.559 0 40 GHAB CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3F)CC2)cc1 4888471 OVCKMFLKGYJQLP-UHFFFAOYSA-N 385.439 3.651 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1F 5092586 IMEVDSRFMICGCF-HBMCJLEFSA-N 388.398 3.877 0 40 GHAB COc1ccc2c(CC(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)coc2c1 5184992 VJELVLADAUPPIU-UHFFFAOYSA-N 397.471 3.612 0 40 GHAB C[C@H](Oc1ccccc1C(N)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 5346814 QCPBERMDUFPJGH-INIZCTEOSA-N 390.439 3.771 0 40 GHAB Cc1ccc(-n2cnnc2S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)c1 6104097 SLCMQBTZJHNRTF-AWEZNQCLSA-N 377.473 3.974 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)NC[C@H](c1ccco1)N1CCCC1 6432182 PWZWTKRGZUWHKP-MRXNPFEDSA-N 382.382 3.631 0 40 GHAB COc1ccc(CNC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 6549995 XAXCQCCWYSKGCJ-UHFFFAOYSA-N 394.500 3.562 0 40 GHAB O=c1cc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)[nH]c(=O)[nH]1 6602166 JGMNAQSJSZDAGF-UHFFFAOYSA-N 377.425 3.678 0 40 GHAB CCCN1C(=O)S/C(=C\c2cc(Br)c(OC)c(OC)c2)C1=O 6654709 KREGANDKEPETHQ-WQLSENKSSA-N 386.267 3.913 0 40 GHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2Cl)n2ncnc2N1 6661970 CXVAVZWUIOHFAL-KRWDZBQOSA-N 383.814 3.998 0 40 GHAB COC(=O)c1ccccc1NC(=O)Cn1ccc2cc(Br)ccc21 6714609 YCCNFAQBDFBNSF-UHFFFAOYSA-N 387.233 3.829 0 40 GHAB CC(C)(C)c1nnc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1N 6786592 WMYXNPXBQLJEET-MRXNPFEDSA-N 399.495 3.901 0 40 GHAB CCCCCn1nc(C(=O)Nc2nc(C)c(C(C)=O)s2)c2ccccc2c1=O 6790602 CWYUAJTUHSUMBA-UHFFFAOYSA-N 398.488 3.807 0 40 GHAB COc1ccc2oc(=O)c(-c3nc(-c4ccc(OC)c(OC)c4)no3)cc2c1 6868058 ULJFWRQVZGABKK-UHFFFAOYSA-N 380.356 3.536 0 40 GHAB Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 7406916 DPDMFHBEWZFUAN-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(Cl)c3c(c2)OCO3)c1C 7822493 JHBHDRMUUJCBNQ-LLVKDONJSA-N 391.807 3.644 0 40 GHAB C[C@@H]1CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3ccc(O)cc3)c3cccc1c32 8215644 FHHJIBMLRXMWSM-DMZKTXOQSA-N 394.496 3.957 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)/C=C/c1ccc(Br)s1 8313906 YVJRQBOVODLGJV-SOFGYWHQSA-N 397.269 3.760 0 40 GHAB O=C1[C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 8520871 DVUPAHROSSIUSQ-IEBWSBKVSA-N 376.799 3.786 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)c1 8571650 PEASYXOGYDTHBJ-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB CC(=O)Nc1ccccc1OCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 8705027 AMMJODSXPJNPEJ-KRWDZBQOSA-N 393.399 3.588 0 40 GHAB Cc1cccc(C(=O)N(Cc2cccc3ccccc23)[C@H]2CCS(=O)(=O)C2)c1 8869717 NFHDIQCWUCYNIP-NRFANRHFSA-N 393.508 3.978 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2nccs2)CC1 10668853 YZPVDWFHUMNZBU-NSHDSACASA-N 386.304 3.566 0 40 GHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(-n2cccn2)cc1 11252989 XJCMUTBCAXOGFX-UHFFFAOYSA-N 389.377 3.881 0 40 GHAB CN1C(=O)c2cccc3c(S(=O)(=O)Oc4cccc5cccnc45)ccc1c23 11851908 GPOOWRVGAKSOJP-UHFFFAOYSA-N 390.420 3.746 0 40 GHAB CCOCc1cc(-c2csc(NC(=O)c3ccc(O)nc3)n2)ccc1OC 11971724 VTHUZLADDYXVAA-UHFFFAOYSA-N 385.445 3.708 0 40 GHAB Cc1cc2nc(C3CCN(Cc4cc(C)n(C5CC5)c4C)CC3)cc(N)n2n1 12121572 IDZIQZKEQVCBDF-UHFFFAOYSA-N 378.524 3.753 0 40 GHAB Cc1noc(C)c1C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3cccnc3)ncc21 12236745 KFOPSHZDLSXIBT-QGZVFWFLSA-N 377.448 3.587 0 40 GHAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(CN2C(=O)CCC2=O)cc1 12877917 POVCKRHTGNGRFU-UHFFFAOYSA-N 377.227 3.895 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)CSCCOc2cccc(Cl)c2)cc1 12886707 JDRIAKFYQMJNQT-UHFFFAOYSA-N 392.908 3.793 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12912572 WBMDBRHFSAUMSS-CVEARBPZSA-N 386.879 3.985 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccccc1C(F)(F)F 12912999 MSXPPNFAQPQDPF-UHFFFAOYSA-N 395.406 3.712 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ncc(-c2ccccc2F)o1 12976103 ZTZLUUOKEARQLH-UHFFFAOYSA-N 399.397 3.650 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)CN2CCC[C@H]2c2ccc(Cl)cc2)cc1 12983462 QCVJNYDTXYZHPW-IBGZPJMESA-N 385.895 3.817 0 40 GHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cc2cc(F)ccc2s1 14070505 GXDGJVIWLNRZNK-UHFFFAOYSA-N 376.497 3.805 0 40 GHAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccc2c(c1)OCO2 14169561 WVFYLAKOYXRPDU-HXUWFJFHSA-N 384.432 3.934 0 40 GHAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)[C@H]1CCCN1C(=O)c1ccco1 14199647 MUFMCQHCDQAZAJ-HUUCEWRRSA-N 390.892 3.891 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 14242235 BPXAMADKTLVGEI-UHFFFAOYSA-N 380.423 3.610 0 40 GHAB COc1ccc(Cl)cc1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 15289882 OJSWKQPKUZBBEV-UHFFFAOYSA-N 392.246 3.633 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cncc(Br)c2)c1 15827564 XTSWYQZHETULJW-INIZCTEOSA-N 391.265 3.839 0 40 GHAB CCOc1ccc(C(=O)Nc2nnc(Cc3ccc(OC)c(OC)c3)s2)cc1 16996345 BYSFLMPJFYWAPA-UHFFFAOYSA-N 399.472 3.797 0 40 GHAB Cc1cc(C(=O)Nn2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)cs1 17077258 BGOGXSOOEOYJGO-UHFFFAOYSA-N 377.516 3.753 0 40 GHAB NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 18173870 WAIQDVSIYNSKCO-UHFFFAOYSA-N 382.445 3.722 0 40 GHAB COc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2F)N2CCCC2)cc1 18177763 ZSDWZRCFWCOPCV-IBGZPJMESA-N 375.419 3.932 0 40 GHAB CCn1cc(-c2cc(C(=O)Nc3nc4cc(OC)ccc4s3)on2)c(C)n1 19524731 PEBXFRVUPHJXPA-UHFFFAOYSA-N 383.433 3.737 0 40 GHAB Cc1c(-c2csc(NC(=O)c3ccccc3CN3CCCC3)n2)cnn1C 19654658 DZDSANWLUXUHJW-UHFFFAOYSA-N 381.505 3.700 0 40 GHAB Cc1onc(C(=O)N2CCC(COc3ccc(Cl)cc3)CC2)c1CN(C)C 19663461 WWFIBMGDGBKSRF-UHFFFAOYSA-N 391.899 3.629 0 40 GHAB CC(=O)N1CCC[C@@H]1c1cc(N2CCN(Cc3ccc(F)cc3)CC2)cc(C)n1 19698261 SCAKULCMVNJWGC-HSZRJFAPSA-N 396.510 3.535 0 40 GHAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCCN2CC(C)C)cc1 19766474 AUWWTDKRSLSOOU-NRFANRHFSA-N 396.535 3.907 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)CSc1ccc(OC)c(OC)c1 19934624 DWBMVTXCMJFEAL-UHFFFAOYSA-N 388.489 3.574 0 40 GHAB Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1 20492846 BWMMJQPTAPYCOH-UHFFFAOYSA-N 377.469 3.812 0 40 GHAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1csc2c1CCCC2 21919115 IUWVTJRBWHCWAR-LJQANCHMSA-N 388.508 3.569 0 40 GHAB Cc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1Cl 22275001 DPGLDBYPPFSPEJ-UHFFFAOYSA-N 394.924 3.758 0 40 GHAB CC[C@H](C)C(=O)Nc1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 22416156 JWJZDXAWKMAYOF-LBPRGKRZSA-N 380.441 3.620 0 40 GHAB COc1cc(CCNC(=O)NCC2(c3ccccc3)CC2)ccc1OC(F)F 22427584 AZDOPRZUBJKJRG-UHFFFAOYSA-N 390.430 3.870 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCN(CCc3ccccc3)CC2)c(Cl)c1 22930423 NJCGGVXTLBQSCU-UHFFFAOYSA-N 385.939 3.756 0 40 GHAB CC(C)Cc1nnc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)s1 23176853 KREGMKJFIPYQED-UHFFFAOYSA-N 396.398 3.588 0 40 GHAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(-c3nc4ccccc4[nH]3)cc1)CS2 23680316 OKMMKRAUOPKPLG-UWJYYQICSA-N 392.484 3.622 0 40 GHAB COC(=O)c1cccc(CSCC(=O)Nc2ccc3c(c2)OCCCO3)c1 24073327 XNSRVVFIJYLFNN-UHFFFAOYSA-N 387.457 3.506 0 40 GHAB CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc3[nH]c(C)c(C)c3c2)s1 24840603 MNGNCGDDKFWINP-UHFFFAOYSA-N 384.457 3.522 0 40 GHAB Cc1cc(=O)n2nc(CN3CCc4sccc4[C@H]3c3ccccc3)sc2n1 24945864 GTDZKBGNXGFMBZ-LJQANCHMSA-N 394.525 3.669 0 40 GHAB O=C(NC1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 25153403 JNLRQRGPNZERAN-OAHLLOKOSA-N 398.956 3.580 0 40 GHAB Cc1cccc(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Br)c2C)n1 27936246 XPJIUGAMDIAHGT-VIFPVBQESA-N 391.191 3.876 0 40 GHAB O=C(Nc1ccc(Cl)cn1)c1ccc(Cn2cc(Br)cn2)o1 27980829 ZOSOJMKMTJUKEL-UHFFFAOYSA-N 381.617 3.588 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)COc1cc(C)c(Cl)c(C)c1)N(C)C 27989924 MCADGRRTDDTVKF-GOSISDBHSA-N 390.911 3.763 0 40 GHAB Cc1ccc(C)c(Nc2nnc(SCc3ccco3)n(-n3cccc3)c2=O)c1 28536156 MVXFCZQYWVSLRH-UHFFFAOYSA-N 393.472 3.997 0 40 GHAB O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1C[C@@H](O)c1ccccc1F 28920820 GMLFKACLBLCEFR-HXUWFJFHSA-N 387.414 3.845 0 40 GHAB O=S(=O)(NCc1cccc(COCc2ccco2)c1)c1cccc(F)c1 30429292 MMMBMVXIFDHSCT-UHFFFAOYSA-N 375.421 3.614 0 40 GHAB CN(C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)C1CCCCC1 30756257 JRXVSBRSGQLODW-UHFFFAOYSA-N 393.336 3.551 0 40 GHAB CCc1ccc2c(CC(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)coc2c1 32842194 AIQUMOYTYHSSAR-FQEVSTJZSA-N 396.487 3.629 0 40 GHAB CCn1c(N2CCN(C(=O)Nc3cccc(C(C)=O)c3)CC2)nc2ccccc21 33106416 XNVNMYDSXCALQC-UHFFFAOYSA-N 391.475 3.613 0 40 GHAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 33602378 LXIBIVDVMRQVLY-WQRHYEAKSA-N 396.468 3.987 0 40 GHAB CCc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3cc(C)on3)n12 35313322 FRPMVSBNQAIUIB-UHFFFAOYSA-N 381.461 3.781 0 40 GHAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 36400951 UCUFHZATSOSPAI-CABCVRRESA-N 387.430 3.643 0 40 GHAB O=C(C1CCN(Cc2ccccc2)CC1)N1CCN(c2cccc(Cl)c2)CC1 39767989 RSOBDGHGPRMKRT-UHFFFAOYSA-N 397.950 3.901 0 40 GHAB Cc1cc(NCC(=O)N[C@H]2CCCc3ccccc32)ccc1N1CCCC1=O 40052174 ABMCERUGYRBUFL-FQEVSTJZSA-N 377.488 3.728 0 40 GHAB CN(CCCNC(=O)N1CCC(C(=O)c2ccccc2)CC1)Cc1ccccc1 40069016 OCXWADOWONFAIZ-UHFFFAOYSA-N 393.531 3.813 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)c3ccc(CNC(C)=O)cc3)ccc2s1 40082363 QJEVPKDZBFYVTC-UHFFFAOYSA-N 396.468 3.966 0 40 GHAB O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1CCCN1C(=O)c1ccco1 40093545 SXCUCZZRUZSYBY-FQEVSTJZSA-N 390.439 3.993 0 40 GHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 40120189 YOIDFUMGDHHZBP-SFHVURJKSA-N 394.462 3.818 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)ccc1C(C)C 40145202 ZASYUFDLWBUXQR-AWEZNQCLSA-N 399.516 3.842 0 40 GHAB Cc1csc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)n1 40287914 NXPHJOPPEBUPSD-UHFFFAOYSA-N 376.821 3.889 0 40 GHAB COC(=O)[C@@H]1CC(=O)N(c2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)C1 45887274 BHJMJVZPXVVHOD-CYBMUJFWSA-N 384.819 3.983 0 40 GHAB Cc1ccnc(Nc2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)c1 49452160 ICCWTMXGEGNEIM-UHFFFAOYSA-N 382.445 3.543 0 40 GHAB C[C@@H]1C(=O)[C@@H](C)[C@@H]2N[C@@H]1c1ccccc1OCCOCCOc1ccccc12 55246746 AGAKQAUZOOAOIV-QDGJQWLKSA-N 381.472 3.701 0 40 GHAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccnc(Cl)c2)CC1 60331372 MZJKZBGUVUYZLZ-CQSZACIVSA-N 390.890 3.507 0 40 GHAB O=C1Nc2ccc(F)cc2[C@]12CCN[C@@H]2c1cc(Br)ccc1F 61717729 WZJGEPHGIFLBJC-WBVHZDCISA-N 379.204 3.652 0 40 GHAB COc1ccc(NC(=O)Cn2cc(-c3ccccc3)c(N(C)C)n2)cc1Cl 62006967 SNCZUKYXMMLBRZ-UHFFFAOYSA-N 384.867 3.917 0 40 GHAB CC1CCN(c2ccc(NC(=O)NCc3n[nH]cc3Br)cc2)CC1 69255942 WMGNYCXFTHWHHF-UHFFFAOYSA-N 392.301 3.730 0 40 GHAB COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 72333026 PFJRYXQWJNBXGJ-IBGZPJMESA-N 390.443 3.698 0 40 GHAB COCCN1CC[C@H](CNC(=O)c2ccccc2Nc2cccc(C)c2C)C1 78757281 ORZNORDTOPZARC-LJQANCHMSA-N 381.520 3.745 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C 78934654 QPPODUQULFVCKV-UKRRQHHQSA-N 382.888 3.623 0 40 GHAB OCCn1nc(-c2cccs2)cc1NCc1ccc(Br)cc1 84442258 PKNMKXYOGUKLDL-UHFFFAOYSA-N 378.295 3.979 0 40 GHAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCC(O)(c2ccc(Cl)cc2)CC1 95478400 OOTOLRCUBPQOKS-UHFFFAOYSA-N 387.892 3.915 0 40 GHAB Cc1nc([C@H]2CCCN(C(=O)Nc3cccc(COCc4ccco4)c3)C2)n[nH]1 95966409 BUWMFXVFGWPBRP-KRWDZBQOSA-N 395.463 3.834 0 40 GHAB COc1ccc(-n2nc(C(=O)Nc3ccc(N4CCCCC4)cn3)cc2C)cc1 95983267 FBECNEWTZGYSME-UHFFFAOYSA-N 391.475 3.827 0 40 GHAB CN1CCC(C)(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 96003285 OJQFVMBKMWSSTD-UHFFFAOYSA-N 377.532 3.711 0 40 GHAB COC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)cc1OCc1ccc(C)cc1 98212047 NDENEEVMSOYVCE-UHFFFAOYSA-N 384.819 3.560 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c(C)c2c1 101850169 JFVXXFIRLHPRNA-LUXYFRNMSA-N 385.460 3.848 0 40 GHAB CCc1ccccc1NC(=O)N1CC[C@]2(CC[C@H](C(=O)NCC3CC3)O2)[C@@H](C)C1 107271728 GNWLNBUCZNCVOW-LERMDLETSA-N 399.535 3.567 0 40 GHAB O=C(NCCOc1ccccc1)NCc1ccc([C@@H](O)c2ccccc2)s1 207973392 LJTFKAPVDLHVGS-FQEVSTJZSA-N 382.485 3.708 0 40 GHAB CCCCNc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)O 217584792 OYSWMJKNIVSBON-UHFFFAOYSA-N 380.510 3.766 0 40 GHAB Cc1ccc(N2CCC(C(=O)N(C)Cc3nc(-c4ccccc4)no3)CC2)cc1 219866404 OOGNEKNURIXDIK-UHFFFAOYSA-N 390.487 3.920 0 40 GHAB CC[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(C)cc1 222560265 KXGUURRNSYISKQ-HXUWFJFHSA-N 386.517 3.806 0 40 GHAB CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 223364170 USIUKPPQQKEJKR-QHCPKHFHSA-N 388.467 3.582 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2C)cc1Br 224873898 BGRKZZBMOZXQAI-UHFFFAOYSA-N 384.295 3.900 0 40 GHAB COc1ccc(CNS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 225161471 JFFZDQLPGYZRFX-UHFFFAOYSA-N 393.505 3.623 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)NCC2CCN([C@@H]3CCSC3)CC2)cc1 225571071 BTGMHIQAQFCTAW-LJQANCHMSA-N 390.593 3.697 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 225691334 FSLUGSRRZUAGBR-QGZVFWFLSA-N 386.923 3.867 0 40 GHAB COc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)c(OC)c1 225919699 UIWNBEISJCMFLO-UHFFFAOYSA-N 375.396 3.533 0 40 GHAB Cc1cc(Sc2ncccn2)nc(NC(=S)NCCCc2ccccc2)n1 225966481 FFSYUBUCWGWJJV-UHFFFAOYSA-N 396.545 3.645 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257234949 GVTLBNJSADTXCJ-INIZCTEOSA-N 395.434 3.828 0 40 GHAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)c2ccc(F)cc2)C1 257269821 MRNLRDQEJAIMBU-OAHLLOKOSA-N 380.423 3.592 0 40 GHAB Cc1cccc(CN2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@H]3C2)n1 306133910 MZDDKSFCEUBXRX-RXVVDRJESA-N 396.537 3.874 0 40 GHAB CCCCc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1CC 408561016 UZLKTVKLPFHEFV-UHFFFAOYSA-N 376.570 3.818 0 40 GHAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC(C)C)cc2)NC(=S)N1 408605596 GDELUESRJLJLOI-GOSISDBHSA-N 376.522 3.858 0 40 GHAB O=C(COC(=O)CCC(=O)NC1CCCCC1)Nc1cccc2ccccc12 408646415 OCXRRVHMDPFNDB-UHFFFAOYSA-N 382.460 3.551 0 40 GHAB CCCCOc1ccc(NC(=O)C(=O)NCc2ccc(OC(C)C)cc2)cc1 408708491 ISQNWFJHVPPAJZ-UHFFFAOYSA-N 384.476 3.908 0 40 GHAB O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccco1)c1ccccc1Cl 408839356 RANUTLJGUYLKGI-UHFFFAOYSA-N 380.787 3.834 0 40 GHAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c1 408906040 CIYQYSQQLVMQQM-UHFFFAOYSA-N 396.468 3.813 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)c1ccncc1 583614785 ARVIYNANSHTYRU-PDXHDDNESA-N 390.487 3.839 0 40 GHAB CCCCCC(=O)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 585079611 VOMRNTAFGGGLFC-UHFFFAOYSA-N 391.313 3.554 0 40 GHAB O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCCc2occc2C1 585083996 OQYDTEXERZXLTD-OAHLLOKOSA-N 393.409 3.885 0 40 GHAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccccc1Cl 585111225 KEWCWYWKCUDDTE-LJQANCHMSA-N 381.863 3.629 0 40 GHAB CC1(C)CCC(N2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 585284130 VBWVZJDOTCOBHU-HXUWFJFHSA-N 385.907 3.890 0 40 GHAB C[C@](Cc1nc2ccccc2s1)(C(=O)N1CCN2CC[C@H]1C2)c1ccccc1 615565150 SEOUXWMZPKYROE-FDDCHVKYSA-N 391.540 3.713 0 40 GHAB COc1cc(C(=O)N2[C@H](C(=O)O)CC[C@H]2c2ccccc2)ccc1OC(F)F 621586703 JYZNLKIBEHUIHJ-GJZGRUSLSA-N 391.370 3.727 0 40 GHAB COc1cccc([C@@H](C(=O)O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1 634691885 QHSUHCRELBYJNG-ROUUACIJSA-N 379.815 3.687 0 40 GHAB CC(C)(C)Cc1nc(-c2cc3c(nc2O)CCN(C(=O)OC(C)(C)C)C3)no1 685942029 APHPVRVXEIZQEE-UHFFFAOYSA-N 388.468 3.719 0 40 GHAB CC(C)Oc1ccc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cc1 1204453404 MKRKJCQFADKGBQ-UHFFFAOYSA-N 394.515 3.872 0 40 GHAB CC(C)c1ccc([C@@H](CO)N(C)S(=O)(=O)c2cccc3cnccc23)cc1 1615055603 OTPZEOWBGSIQBI-HXUWFJFHSA-N 384.501 3.712 0 40 GHAB CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)C1 1646586402 HKWQHJCAKRCNSK-XNRPHZJLSA-N 396.434 3.506 0 40 GHAB CC1(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)CCCCC1 2037841154 YIQMTYITDIONGB-QHCPKHFHSA-N 384.520 3.772 0 40 GHAB CCOC(=O)CSc1nnc(COc2cccc(C)c2)n1-c1ccccc1 649268 MPKLBRLISHCJAK-UHFFFAOYSA-N 383.473 3.810 0 40 GHAB Cc1cc(C)cc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c1 860607 KURVRSOWYLXXEL-UHFFFAOYSA-N 386.517 3.511 0 40 GHAB CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NC[C@@H]1CCCO1 1341164 FLWRIQBKUMXZBE-INIZCTEOSA-N 396.491 3.875 0 40 GHAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccccc3)c(=O)[nH]c2c1C 1359426 MRBDSSMAYHHTNP-OAQYLSRUSA-N 390.483 3.966 0 40 GHAB CCC(=O)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2n2nnnc12 1367417 QTKNKNFLZLSXPL-UHFFFAOYSA-N 379.489 3.895 0 40 GHAB O=C(c1ccco1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 1465336 GNAMIGXXUZCPQC-UHFFFAOYSA-N 384.439 3.852 0 40 GHAB CCOP(=O)(OCC)O[C@@H]1c2[nH]ccc2-c2cc(C(=O)OC)[nH]c2[C@@H]1OC 1647571 DIKOMQSMOOPQHM-JKSUJKDBSA-N 398.352 3.736 0 40 GHAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(N)=O)C1 1940150 WHORFRVYNLHMKE-VIFPVBQESA-N 393.306 3.987 0 40 GHAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N 2385737 MAQAPYIGSJFEPV-UHFFFAOYSA-N 385.468 3.652 0 40 GHAB CCc1nnc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)s1 2468278 WFPDJJYKKQSYKW-UHFFFAOYSA-N 379.898 3.670 0 40 GHAB Cc1cccn2c(=O)c3cc(C(=O)N(Cc4ccccc4)C(C)C)n(C)c3nc12 2917204 HBIWXEMKKHZYTQ-UHFFFAOYSA-N 388.471 3.545 0 40 GHAB O=C(Nc1ccccc1F)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 3281542 UNYJFTIEHFQUOO-FQEVSTJZSA-N 388.398 3.672 0 40 GHAB COc1ccc(-c2csc(NC(=O)COc3ccc(F)cc3)n2)cc1OC 3344478 DATFCEIAUPVDQL-UHFFFAOYSA-N 388.420 3.984 0 40 GHAB Cc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N1CCCCC1 3368815 GJDUHTQGIWBVTK-UHFFFAOYSA-N 378.538 3.622 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)c2ccc(O)cc2O)nc2ccccc2c1=O 3510125 AVXZIVOPYSZFKQ-GFCCVEGCSA-N 384.457 3.754 0 40 GHAB CCN(C(=O)c1nn(C)c(=O)c2ccccc12)c1nc2c(C)cccc2s1 3538529 XVUVBTJNOBBTEW-UHFFFAOYSA-N 378.457 3.518 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)cc1 4047110 IDMLIENVTZYKNK-RXVVDRJESA-N 378.428 3.609 0 40 GHAB biogenic O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)Nc2ccc(C(F)(F)F)cc2)C1 4135129 LALFGEJDABZXOM-QWHCGFSZSA-N 393.434 3.683 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(OC(C)C)cc2)c1C 4331861 KMXPXPJFDPEPCQ-AWEZNQCLSA-N 387.432 3.634 0 40 GHAB COc1ccc2nc(N(CCN(C)C)C(=O)CCc3ccccc3)sc2c1 4359139 ZSCPDOYZTWBJCO-UHFFFAOYSA-N 383.517 3.832 0 40 GHAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)Nc1ccccc1F 4469725 NAGFAAPTNXZQEI-SNVBAGLBSA-N 391.859 3.571 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)N2CCCCC2)n1Cc1ccco1 4860248 KUJOCRVKGPFBAJ-UHFFFAOYSA-N 386.477 3.592 0 40 GHAB COc1cccc(OCC(=O)Nc2c3c(nn2-c2ccccc2)CSC3)c1 5077242 FJYQASFMLVQLFA-UHFFFAOYSA-N 381.457 3.645 0 40 GHAB COc1ccc(CC(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1 5259205 HJXVHMPUSTZWIX-UHFFFAOYSA-N 388.471 3.934 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2nc3ccc(C)cc3s2)cc1 6205516 LNGMRSKOYZOWRN-UHFFFAOYSA-N 396.501 3.620 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 6593643 PCAIBQMNHKWXSH-ZDUSSCGKSA-N 394.468 3.554 0 40 GHAB CCCn1c(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)nc2ccccc21 6653780 NCEHCELJKIDCGZ-UHFFFAOYSA-N 389.459 3.644 0 40 GHAB COc1cc(C(=O)OCCOc2ccccc2F)cc(OC)c1Br 7269432 SSTFZAAUUXYMBA-UHFFFAOYSA-N 399.212 3.841 0 40 GHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 7504955 NFHVSIQWMLATDJ-OAHLLOKOSA-N 393.418 3.557 0 40 GHAB O=C1CCCN1c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 7612585 IPYUJFLGOKSGGS-UHFFFAOYSA-N 384.379 3.633 0 40 GHAB CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 7813862 LRXFOKPFAAYUNY-UHFFFAOYSA-N 388.533 3.806 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1 7988954 FQWQZPCWHLHZKK-CQSZACIVSA-N 384.476 3.758 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(OCC)cc2)nc2ccccc2c1=O 8195384 HTOANHWUQZQGFQ-UHFFFAOYSA-N 397.500 3.936 0 40 GHAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(=O)O)c1 8434559 RYROSPWGEHXGJP-UHFFFAOYSA-N 390.395 3.898 0 40 GHAB COc1ccc(CCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 9062577 BDOWMNQMNYWJMM-UHFFFAOYSA-N 380.532 3.965 0 40 GHAB CCCNS(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1OC 9063918 XSHBALCVUOSDDC-UHFFFAOYSA-N 390.505 3.561 0 40 GHAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cncc(Br)c1 9483070 KBNNGISVGZNRKD-UHFFFAOYSA-N 378.657 3.951 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OC1(CCCC1)O2 9582467 UYXWFPKSOSZRQO-UHFFFAOYSA-N 387.457 3.531 0 40 GHAB COc1ccc(NC(=O)NC(=O)CSc2ccc(Br)cc2)cc1 11341140 XBVYCQXUIQGOOQ-UHFFFAOYSA-N 395.278 3.898 0 40 GHAB O=C(CCNC(=O)c1ccco1)Nc1nc2c(Cl)c(Cl)ccc2s1 11377385 DDZNCBDNOATNJG-UHFFFAOYSA-N 384.244 3.955 0 40 GHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN(c2ncccn2)CC1 12389315 VXZOTIKRCDDISQ-UHFFFAOYSA-N 399.907 3.524 0 40 GHAB O=c1cc(-c2ccc(F)cc2)nc(SCc2nc(-c3cccs3)no2)[nH]1 12414999 RFXRZBOCBZVDSN-UHFFFAOYSA-N 386.433 3.980 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)N(Cc3ccccc3)c3ccccn3)cnc12 12517170 DAOVDVZKGBUDFA-UHFFFAOYSA-N 398.466 3.723 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)[C@@H]2Cc3ccc(C)cc3S2)CC1 12551802 NKACUWDNHAVJPG-NRFANRHFSA-N 381.545 3.792 0 40 GHAB O=C(c1cnn(Cc2ccccc2)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 12606410 ULZXCIVXYVXEDN-UHFFFAOYSA-N 383.455 3.737 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(Br)cc1F 12689397 SEPWRCDZQWWAST-UHFFFAOYSA-N 375.197 3.653 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)COc2ccc(F)cc2Cl)C1 12761229 KBVAMQUXSIPHKY-AWEZNQCLSA-N 390.842 3.735 0 40 GHAB Cc1sc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)nc1-c1ccc(Cl)cc1 12770351 RLOGQMFKQRAEKL-GFCCVEGCSA-N 375.881 3.721 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 12783302 XMHYEWGOYOFQAE-FPOVZHCZSA-N 394.471 3.929 0 40 GHAB CN(C)[C@H](CNC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccccc1 12821753 YOKIELRFZQLHND-GOSISDBHSA-N 386.293 3.963 0 40 GHAB Cc1nc2ccc(NC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)cc2s1 12871183 LOTNRPNPEVPIIV-UHFFFAOYSA-N 392.484 3.960 0 40 GHAB CCC(CC)[C@@H](CNC(=O)c1cc(SC)ccc1Cl)N1CCOCC1 13013109 NTLDQBPKDMCDEQ-GOSISDBHSA-N 384.973 3.929 0 40 GHAB O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NC1CCCC1 13719209 TWXYOKMQKIJVJG-UHFFFAOYSA-N 391.265 3.896 0 40 GHAB COc1cc(C)c(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1OC 15857321 SDARVETWSMXKCX-LJQANCHMSA-N 380.444 3.915 0 40 GHAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 16959371 DSYBXYCGATWQHA-UHFFFAOYSA-N 386.517 3.659 0 40 GHAB Cn1cc(-c2cc(C(=O)Nc3nc4c(s3)C[C@H](C(C)(C)C)CC4)no2)cn1 19082503 RTOCMCGKWOUWGF-GFCCVEGCSA-N 385.493 3.935 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)N1CCCC[C@H]2NCC[C@H](c3ccccc3)[C@H]21 19373920 WRTLRTGWXDFWGR-TXTKFYIRSA-N 392.499 3.598 0 40 GHAB CCCC(=O)N1[C@H]2CC[C@@H]1Cc1c2cnc2cc(-c3ccc(OC)cc3)nn12 19501010 IPZHWAJJGHNWQJ-BEFAXECRSA-N 376.460 3.793 0 40 GHAB COc1ccc([C@H](NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)C2CC2)cc1 19659925 GQPFGNOSCVXFDL-LJQANCHMSA-N 386.835 3.524 0 40 GHAB CN(C)c1ncccc1CN1CCO[C@H](c2ccc(-c3ccccc3F)cn2)C1 19693513 JLFYBYCKCIJJIZ-QFIPXVFZSA-N 392.478 3.922 0 40 GHAB Cc1cccc2c(C(=O)NC[C@H](C(C)C)N(C)C)cc(-c3cccnc3)nc12 19716685 DZOATRBWOWNGBG-OAQYLSRUSA-N 376.504 3.921 0 40 GHAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(Cl)cc1 20151914 BWZXAHSESMAUGQ-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB CCOc1ccc2oc(=O)cc(CN3CCN(Cc4cccc(C)c4)CC3)c2c1 20177597 KOXPSFDKHWGCCB-UHFFFAOYSA-N 392.499 3.818 0 40 GHAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)[C@H]1C[C@@H]1C 20864575 ADSZCYPJVUIDQZ-JQWIXIFHSA-N 391.445 3.631 0 40 GHAB C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccn1 21471157 ZEDFGRMTXLTVRG-CYBMUJFWSA-N 378.398 3.589 0 40 GHAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCc3cccs3)cc2)C1 23117783 JRFZDSQWWWEQAZ-OAHLLOKOSA-N 392.546 3.740 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)c(OC(C)C)c(OC)c2)C1 23979673 ZGHOVYABDZQZCJ-ZDUSSCGKSA-N 383.872 3.551 0 40 GHAB COc1ccccc1[C@H](C)N(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 25109597 YTDVLKOHZKQYLG-HNNXBMFYSA-N 376.497 3.862 0 40 GHAB Cc1ccccc1NC(=O)CSc1nnc(/C=C/c2ccccc2)c(O)n1 27300737 IRUDXLUAFGVDPT-VAWYXSNFSA-N 378.457 3.787 0 40 GHAB Nc1cc(F)ccc1C(=O)OCc1nc(-c2ccc(C(F)(F)F)cc2)no1 28443392 LEOFJNLYJBACJH-UHFFFAOYSA-N 381.285 3.834 0 40 GHAB CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1CCCC1 30753897 HKULOLHAMAVANB-UHFFFAOYSA-N 384.929 3.529 0 40 GHAB O=C(CNC(=O)c1ccc2c(c1)Cc1ccccc1-2)Nc1ccc(F)c(F)c1 30884757 JHEJREQTWMRJMR-UHFFFAOYSA-N 378.378 3.905 0 40 GHAB CC(C)(C)C(=O)N1CCC(C(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1 32716648 HDLROONKQCJMCG-UHFFFAOYSA-N 397.519 3.819 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 35312223 JVMWANDXXMJURT-UHFFFAOYSA-N 397.435 3.775 0 40 GHAB CC1(C)C[C@H]2C[C@](C)(CN2[C@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)C1 36357433 WYDWXCJGDBTDEX-DVXDUOKCSA-N 384.476 3.752 0 40 GHAB CCCc1noc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2OC)n1 46020181 SHSUMXGATZLURX-UHFFFAOYSA-N 387.461 3.807 0 40 GHAB COC(=O)c1c(NCc2ccccc2Br)c2ccccc2[nH]c1=O 49001583 MKDGJVSPUMNYDN-UHFFFAOYSA-N 387.233 3.689 0 40 GHAB O=C(CSc1nc2ccccc2o1)N1CC(c2nc(-c3cccs3)no2)C1 49483930 CWTZWOQETXDUCC-UHFFFAOYSA-N 398.469 3.657 0 40 GHAB CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2cccc(OCc3ccccc3)c2)C1 53573918 IBJXBNXJWFTPOF-OAQYLSRUSA-N 394.515 3.776 0 40 GHAB COc1ccccc1N1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 54147575 SXUHHUDIANXVGO-UHFFFAOYSA-N 390.483 3.613 0 40 GHAB biogenic O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1F)c1cnccn1 54211621 UIDOMQWXUHUEIX-QGZVFWFLSA-N 386.224 3.898 0 40 GHAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O 57486043 YGIBCKXJKXUMHH-UHFFFAOYSA-N 399.516 3.643 0 40 GHAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(C)C)c2)c1=O 57486096 KCVVPZOGNXBGEA-UHFFFAOYSA-N 399.516 3.643 0 40 GHAB Cc1ccccc1CSc1nnc2c(=O)n(-c3ccc(F)c(F)c3)ccn12 64593888 SCJFLOUFQUGNEX-UHFFFAOYSA-N 384.411 3.759 0 40 GHAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(F)c3)c2C)c1 71326967 UOQIGDVPIVCZKE-UHFFFAOYSA-N 395.438 3.542 0 40 GHAB COc1ccc2c(c1)CCN(c1ncc(-c3cnccn3)c(-c3ccco3)n1)C2 72338652 DPMRBDYUSKWQQK-UHFFFAOYSA-N 385.427 3.765 0 40 GHAB CC[C@H](CNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1)OC 72344838 CKXPIQANVAAFSA-OAQYLSRUSA-N 382.504 3.629 0 40 GHAB NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(CCc3ccccc3)C2)c1 72358517 HTHNGPXGMWBGAJ-NRFANRHFSA-N 386.499 3.665 0 40 GHAB O=C(c1cccnc1)N1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 72362074 RULOREIBUIOPFE-INIZCTEOSA-N 378.407 3.823 0 40 GHAB O=C(c1ccncc1)N1CCC(c2nccnc2Oc2ccccc2F)CC1 72362124 UMZHRKYKKAKPBI-UHFFFAOYSA-N 378.407 3.823 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1NCc1ccc(F)cc1 95941084 MZQRDEFODIHYIA-GBESFXJTSA-N 378.488 3.720 0 40 GHAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Oc2ccnc3ccccc23)cc1 95959116 NDBRTYOHQJYGPE-HNNXBMFYSA-N 396.468 3.790 0 40 GHAB Cc1nc([C@@H]2CCCN(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)C2)n[nH]1 95966404 LREPMUXFJURVQS-QGZVFWFLSA-N 382.512 3.761 0 40 GHAB O=C([C@@H]1CCCO1)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 96012485 OIZSMYALCXNHLL-WBVHZDCISA-N 389.249 3.899 0 40 GHAB CCc1ccc(NC(=O)N2CC[C@@]3(C[C@@H]3C(=O)N(C)Cc3ccccn3)C2)cc1 96227437 UVHGRKMMEUVADR-NFBKMPQASA-N 392.503 3.547 0 40 GHAB COc1ccc(C(=O)N2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 98211733 JMCILBBSAFMKSJ-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)[C@H]1CC[C@H](OC)CC1 100725770 DIFKRUFSSXVMIS-IMFGXOCKSA-N 397.519 3.639 0 40 GHAB COc1cccc(C(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](CNC(C)=O)CC2)c1 100750303 NXFHEJVICVFVAV-SVMVAKDDSA-N 395.503 3.504 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O 113967945 UWUBZXXMKODHQA-YJBOKZPZSA-N 392.496 3.556 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c2ccccc12 205777713 WQEMUZWSFXMBMB-LICLKQGHSA-N 385.441 3.836 0 40 GHAB O=C(CSc1ccc(F)cc1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206840964 QXYUVCKKPGCRRW-INIZCTEOSA-N 399.447 3.593 0 40 GHAB Cc1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1N(C)S(C)(=O)=O 222483064 XZMUEOZJQFPQEU-IBGZPJMESA-N 388.533 3.908 0 40 GHAB CC[C@H](NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccc(C)cc1 222503811 UFEOQLOCWUAJMH-SFHVURJKSA-N 394.924 3.925 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 223637286 SMBWBOSBJCTJDQ-HNNXBMFYSA-N 390.886 3.883 0 40 GHAB CCOc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 223851487 QMOOFEVRRHBYTG-UHFFFAOYSA-N 377.506 3.740 0 40 GHAB CN(Cc1ccccc1F)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 224074086 ZCTXULYUJOFMPN-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB COc1ccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 224331801 WVYTXSQDNILTSL-UHFFFAOYSA-N 382.504 3.736 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 224997403 CNMBPWAJLCCHIC-LJQANCHMSA-N 396.531 3.880 0 40 GHAB Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)cc1C 225587780 DCYVHDSFWZLAPM-GOSISDBHSA-N 384.495 3.927 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)c3cccc(F)c3)C2)ncn1 257204792 AWHPCGDDXOHXAL-MRXNPFEDSA-N 394.450 3.982 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@](C)(c3ncc(Cc4cccc(F)c4)o3)C2)no1 257252704 JVUDETLZLVXQRB-OAQYLSRUSA-N 383.423 3.895 0 40 GHAB COCCCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3OC)c2)CCCO1 257292529 QLYLHGWJNMDRKY-QHCPKHFHSA-N 383.488 3.607 0 40 GHAB Cc1cccnc1C(=O)N1CCC[C@@H](Cc2cc(-c3c(C)noc3C)ncn2)C1 257308867 TYODPQFCQGOJLE-KRWDZBQOSA-N 391.475 3.547 0 40 GHAB Cc1c[nH]c(-c2cc([C@@H]3CCCCN3C(=O)c3scnc3C)nc(C)n2)n1 257340835 ZHRURIDUYNDOIW-INIZCTEOSA-N 382.493 3.616 0 40 GHAB O=C(Nc1ccccc1)N1CC[C@H]2CCN(C(=O)NCc3ccccc3)[C@@H]2CC1 306133372 MJTMLAOYCPTTRM-PZJWPPBQSA-N 392.503 3.915 0 40 GHAB COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1OCc1ccc(C)cc1 409031085 GNRHHHQHVSXHDH-BOPFTXTBSA-N 382.485 3.612 0 40 GHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O 409094421 DARFBRNIDYZJOP-KBVGCWLLSA-N 390.848 3.729 0 40 GHAB Cn1c(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)cc2ccccc2c1=O 507460158 LXUUEKHKBGOUCI-JOCHJYFZSA-N 383.451 3.585 0 40 GHAB CC(C)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)cc1 509547247 ZZPOPNFMRGSWQY-CVDCTZTESA-N 378.472 3.751 0 40 GHAB C[C@]1(O)CCN(C(=O)Cc2cccc(Cl)c2)C[C@@H]1Oc1cccc(Cl)c1 585262225 JTERTWGTRULSCG-ICSRJNTNSA-N 394.298 3.967 0 40 GHAB CC(=O)N1CCCC[C@H]2CN(C[C@]3(O)CC[C@@H](c4ccccc4)CC3)CC[C@H]21 585284046 QVMKPDXVLKYYIF-CJRSTVEYSA-N 384.564 3.798 0 40 GHAB O=C(N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccnc(C2CC2)n1 601649558 OMFZSKXWSLGFAV-HXUWFJFHSA-N 399.454 3.650 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)N1Cc2ccccc2-c2ccccc21 612665806 TYSDYCCOPNLSJG-UHFFFAOYSA-N 383.455 3.888 0 40 GHAB COC(=O)C1(NCC(=O)Nc2nc(-c3cccs3)cs2)CCCCCC1 1616965047 GHNUUNJCTOYWGX-UHFFFAOYSA-N 393.534 3.666 0 40 GHAB Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@H](c4nc(O)n[nH]4)C3)c2)cc1 1679067316 MSAUGZMTNBQXPR-LJQANCHMSA-N 391.475 3.575 0 40 GHAB FC(F)(F)c1ccc(N2CCC(COc3cc4c(nn3)CCC4)CC2)nc1 1775986179 ZJALGRIYEFHYFZ-UHFFFAOYSA-N 378.398 3.675 0 40 GHAB CNC(=O)/C=C/CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 2069627409 SGPJECIXLYQCTF-NSCUHMNNSA-N 378.350 3.530 0 40 GHAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(N)=O)C1 1940151 WHORFRVYNLHMKE-SECBINFHSA-N 393.306 3.987 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1 2352438 MNEBXMXYZLULRZ-UHFFFAOYSA-N 384.823 3.920 0 40 GHAB CC(C)Cc1nc2oc3c(NCCCO)ncnc3c2c2c1COC(C)(C)C2 2430504 IBGBKXQUIUSQRH-UHFFFAOYSA-N 384.480 3.615 0 40 GHAB CCCSc1nc(N2CCNCC2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2435895 JULWRIQBCMJLJZ-LJQANCHMSA-N 392.594 3.844 0 40 GHAB COc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2)c(OC)c1 2723024 IUSONMNYODOKRS-UHFFFAOYSA-N 383.473 3.929 0 40 GHAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c1 3246309 MWHLQLKVHSEVFA-UHFFFAOYSA-N 393.848 3.629 0 40 GHAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1C(=O)NC2(CCCCC2)C1=O 3340623 HXHZHXLDGJAFEQ-JTQLQIEISA-N 384.263 3.575 0 40 GHAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 3395998 MKERSRATGHJCNN-FQEVSTJZSA-N 386.835 3.518 0 40 GHAB O=C(/C=C/c1ccccc1)NCCc1csc2nc(-c3ccc(F)cc3)nn12 4374814 APIBROITYKKTIP-IZZDOVSWSA-N 392.459 3.969 0 40 GHAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)Cc2ccccc2)c2ccccc21 4555228 XIJAHLCJJHMWSX-VWLOTQADSA-N 385.463 3.931 0 40 GHAB CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(OCCC(C)C)cc1 4593495 ZMGNDJCZZMQELQ-OAQYLSRUSA-N 399.487 3.721 0 40 GHAB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 4694701 VVXNPHRIXRMMHQ-RIYZIHGNSA-N 377.805 3.809 0 40 GHAB CCc1nnc(NC(=O)CSc2nc3cc(OC)ccc3cc2CC)s1 4849399 LLKOZKROAZMDJI-UHFFFAOYSA-N 388.518 3.951 0 40 GHAB O=C(NC1CCCCC1)NC1C[C@@H]2CC[C@H](C1)N2C(=S)NC1CCCCC1 4908384 ASSISOVLAIKDBR-YQQQUEKLSA-N 392.613 3.821 0 40 GHAB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccccc1Cl 4939901 SQGFVVXRTFPNQV-UHFFFAOYSA-N 394.862 3.886 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3cccc(OC)c3)C2)cc1 4981642 SJPSYWJHCCPMPW-OAHLLOKOSA-N 383.448 3.586 0 40 GHAB CC(C)OC(=O)[C@H](C)n1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 5009926 YHQWNCWGQXMLFV-RYUDHWBXSA-N 377.510 3.517 0 40 GHAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(Cl)cc3c2OCOC3)C1=O 5226414 GBEPRIBOKNDJHQ-HXUWFJFHSA-N 386.835 3.564 0 40 GHAB O=C(Nc1cccc2ccccc12)[C@H]1CCCN1S(=O)(=O)c1cccs1 5298831 HINWWKUVHDHVJK-QGZVFWFLSA-N 386.498 3.693 0 40 GHAB Cc1ccc(-n2nnnc2S[C@H](C(=O)N2CCCC2)c2ccccc2)c(C)c1 5472028 XETKSYHLXYKTHW-IBGZPJMESA-N 393.516 3.735 0 40 GHAB CCOc1cc2c(cc1/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccccc1)O[C@@H](C)C2 6444471 DOUAPUUYKFJVMH-ISEXYEMMSA-N 395.455 3.992 0 40 GHAB CCCCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1 6756947 VODGDPISTKASAN-GOSISDBHSA-N 388.489 3.689 0 40 GHAB O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1OCc1ccc(F)cc1 6833041 JZHSGWQHHKFKAQ-SFHVURJKSA-N 393.414 3.975 0 40 GHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 7306958 BQBSTGOWSQWZOW-CQSZACIVSA-N 388.514 3.873 0 40 GHAB CSc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 7495830 LYWZDLZGALEWHE-HNNXBMFYSA-N 383.517 3.604 0 40 GHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Cc1ccc(C)cc1 7759453 SIURTWGFOXPZDP-UHFFFAOYSA-N 395.459 3.653 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)c1 8058865 SEOSUEPSBAEBFI-IBGZPJMESA-N 375.490 3.846 0 40 GHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1F 8091542 TWOQXTIPQIOKMQ-OVCLIPMQSA-N 390.798 3.589 0 40 GHAB O=C1N[C@@]2(Nc3ccccc31)C(=O)N(Cc1ccc(Cl)cc1)c1ccccc12 8188320 MKWFGHZCJBIIIR-JOCHJYFZSA-N 389.842 3.895 0 40 GHAB O=C(CSc1nnnn1C1CCCC1)NC(c1ccccc1)c1ccccc1 8315072 PVEUZOCEFYOSKK-UHFFFAOYSA-N 393.516 3.786 0 40 GHAB Cc1cnc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)s1 8393294 ISIRTJDICRLSHX-UHFFFAOYSA-N 387.486 3.529 0 40 GHAB COC(=O)c1ccccc1NC(=O)CSc1cc(-c2ccccc2)nc(C)n1 8654793 MJUYYGKKCOIJOB-UHFFFAOYSA-N 393.468 3.969 0 40 GHAB Cc1sc2nc(CS(=O)(=O)c3ccccc3)[nH]c(=O)c2c1-c1ccccc1 8715524 XHISNFUDJSDAMV-UHFFFAOYSA-N 396.493 3.934 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccnn1C1CCCC1 8724396 MUUBARWYZGBVFZ-SFHVURJKSA-N 396.491 3.545 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CCCn2sc3ccccc3c2=O)cc1 9289835 ICCCXOWKNLSJMB-UHFFFAOYSA-N 384.457 3.659 0 40 GHAB COc1cccc(CCNC(=O)c2csc(NC(=O)Nc3ccccc3)n2)c1 9317455 ACZDUFLOKKQSGX-UHFFFAOYSA-N 396.472 3.768 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9608143 INZMKGKMVYTEOM-YXOJNZSOSA-N 393.439 3.954 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)CCc3ccc(Cl)cc3)sc2c1 10405795 VETJHBKIDUJFTB-UHFFFAOYSA-N 394.905 3.925 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1c2ccccc2C[C@@H]1C 10449950 BSZHVXFSRDHGBZ-KRWDZBQOSA-N 398.528 3.761 0 40 GHAB Cc1nc2ccc(Cl)cc2cc1C(=O)OCCN1C(=O)c2ccccc2C1=O 10468106 WQFFLCLKHXUWDQ-UHFFFAOYSA-N 394.814 3.650 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1 11027725 PUDDGYBRFCPMPO-UHFFFAOYSA-N 382.441 3.784 0 40 GHAB CC(C)(C)Nc1c(C2CCN(C(=O)C[C@@H]3CCCO3)CC2)nc2ccccn12 12127898 KCNPKOSCJKLKOX-KRWDZBQOSA-N 384.524 3.820 0 40 GHAB CC(C)[C@@H](NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1 12328491 POKBRWPJRQRDNJ-NZQKXSOJSA-N 393.531 3.851 0 40 GHAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc2c(c1)OCCO2 12581981 WBKVOWUVLGHLCM-ZVZYQTTQSA-N 376.449 3.619 0 40 GHAB CCCCNc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCO2 12636170 DHRVCRNHDDSRCP-UHFFFAOYSA-N 380.448 3.658 0 40 GHAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 12781957 AOBQRMKXLSQOCV-UHFFFAOYSA-N 380.444 3.533 0 40 GHAB COc1cc(OC)c(N[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1Cl 12805671 WCJOWKSWQAYHEV-LLVKDONJSA-N 376.840 3.999 0 40 GHAB COc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1OC 12914981 QFXHIQACGQBBAV-UHFFFAOYSA-N 396.468 3.943 0 40 GHAB COc1cc(CNc2cc(C)nc3ncnn23)ccc1OCc1ccccc1 12927886 ZURRGEGKXFGHPP-UHFFFAOYSA-N 375.432 3.632 0 40 GHAB CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713494 MJRQWNUKTHKXGN-IBGZPJMESA-N 378.538 3.546 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCCCC2)n3C)cc1 13813929 JTQJWLKCBVJJEN-UHFFFAOYSA-N 392.503 3.863 0 40 GHAB O=C(OCc1cc2ccccc2o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 14189414 BVWJWYPQEJRRAA-UHFFFAOYSA-N 385.441 3.574 0 40 GHAB C[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(-n2cncn2)cc1 14240536 ICELMVWMPSVRJU-MRXNPFEDSA-N 378.476 3.821 0 40 GHAB O=C(CNCc1ccccc1Cl)Nc1ccc(C(=O)N2CCCCC2)cc1 15935874 UPTCAOXZHLGCGO-UHFFFAOYSA-N 385.895 3.694 0 40 GHAB CC[C@H](C)NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1 17268753 DGRFJWWYYAFBPA-ZDUSSCGKSA-N 396.516 3.733 0 40 GHAB Cc1ccnn1[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C 19238298 HUMIKHADCGUQET-ZDFPQIBNSA-N 380.536 3.622 0 40 GHAB O=C(Nc1nc2c(s1)CCCCCC2)c1ccc(N2C(=O)CCC2=O)cc1 19332195 BSGAFKAELJAWKC-UHFFFAOYSA-N 383.473 3.708 0 40 GHAB NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccc(F)c2)C1 19348467 RFVZWGVMJCYMRZ-XMMPIXPASA-N 389.474 3.808 0 40 GHAB O=C(C1CC1)N1CCC(c2nc(-c3ccccn3)ncc2-c2ccncc2)CC1 19403214 WFNLIUVOLHAHRZ-UHFFFAOYSA-N 385.471 3.717 0 40 GHAB CCn1nc(C)c(CN(Cc2cccc(OC)c2OC)C[C@H]2CCCO2)c1C 19523817 UYWGJYZBRJRAOJ-LJQANCHMSA-N 387.524 3.718 0 40 GHAB COCCOc1ccc(CN2CCC[C@H]3NC[C@H](c4ccc(F)cc4)[C@H]32)cc1 19593721 OKADGJLCXMOSSV-DNVJHFABSA-N 384.495 3.571 0 40 GHAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccccn2)nc2c1CCCN2CC1CC1 19706768 BVGDLFWYVNKQQF-FQEVSTJZSA-N 391.519 3.710 0 40 GHAB Cc1cc2nc(CCNC(=O)c3cc(-n4cccn4)ccc3Cl)[nH]c2cc1C 19715139 PIIAFCXBRTUJSS-UHFFFAOYSA-N 393.878 3.991 0 40 GHAB O=C(NC(=S)Nc1ccc(C(=O)O)c(O)c1)c1ccc(Cl)c(Cl)c1 20152087 GFGXLTCKAOWNON-UHFFFAOYSA-N 385.228 3.524 0 40 GHAB CCCOc1ccc(/C=C2/SC(=O)N(CN(CC)CC)C2=O)cc1OC 20266001 DHYYXFZNWKGSOJ-SFQUDFHCSA-N 378.494 3.820 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)c1 20739969 HQBUQTCKMILCJD-QGZVFWFLSA-N 392.415 3.739 0 40 GHAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NCC1(c2ccccc2)CC1 22448165 RIUWNXWVBKKJTM-UHFFFAOYSA-N 393.270 3.580 0 40 GHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1OC[C@H]1CCCO1 22870989 BSHFXUMRZZWSMC-IRLDBZIGSA-N 394.515 3.811 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4cccc(F)c4)CC3)no2)cc1 23237093 OIBNSZGPBSPRIK-UHFFFAOYSA-N 379.435 3.747 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1nn(-c3ccccc3)cc1OC)O[C@@H](C)C2 26887192 HCMWRWLLLYFUBO-AWEZNQCLSA-N 393.443 3.855 0 40 GHAB CCOc1ccc(Nc2nnc(SCc3ccc(F)cc3)n(C)c2=O)cc1 28538390 FQLVYXIVUVSTGC-UHFFFAOYSA-N 386.452 3.749 0 40 GHAB Cc1ccc(N2C(=O)N(Cc3nc(-c4ccc(F)cc4)no3)C(=O)[C@@H]2C)cc1 32731664 BEIFNSSQROZYEG-ZDUSSCGKSA-N 380.379 3.541 0 40 GHAB COCCCn1c(S)nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c1=O 32843844 UIIRXEQQYCFWEX-UHFFFAOYSA-N 397.500 3.591 0 40 GHAB c1cc(CNc2nc(CN3CCCCC3)nc3sc4c(c23)CCCC4)n[nH]1 32927042 KGSMJXSSLGSJJT-UHFFFAOYSA-N 382.537 3.891 0 40 GHAB O=C(Cn1cc(Br)ccc1=O)Nc1ccc(SC(F)F)cc1 32958202 XQESHECNNXBVIJ-UHFFFAOYSA-N 389.221 3.564 0 40 GHAB O=C1NC(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)S1 33908048 LJSVSBRJZPSVKP-VGOFMYFVSA-N 387.329 3.619 0 40 GHAB CCSc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38726108 XCVIHQJMGLRVDM-VQTJNVASSA-N 394.540 3.887 0 40 GHAB O=C(CCCc1cccs1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 40074113 LUEOKRHCCGKQJM-IBGZPJMESA-N 392.952 3.914 0 40 GHAB COc1cc(NC(=O)c2ccc(Cl)cc2)c(C(=O)N2CCCC2)cc1OC 40087633 GFKZPMHETUMMGU-UHFFFAOYSA-N 388.851 3.846 0 40 GHAB C[C@H]1CN(C(=O)Nc2cc(Br)ccc2Br)C[C@@H](C)O1 44078735 FFCFTQMSPDBNPQ-DTORHVGOSA-N 392.091 3.853 0 40 GHAB O=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2c(-c3ccccc3)csc12 44169289 RQVGERQRROPCQK-UHFFFAOYSA-N 388.496 3.978 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(=O)O 47949109 FIWHIGVJTITVJD-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB CCCCc1nc(C)c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)s1 48354096 RJPIYQQOTAGVNW-UHFFFAOYSA-N 399.560 3.687 0 40 GHAB c1cnn(-c2ccc(CN3CCC[C@@H](c4nnc5n4CCCCC5)C3)cc2)c1 48362528 XYCCFZPCPFRIHF-LJQANCHMSA-N 376.508 3.570 0 40 GHAB C[C@H](Oc1ccc(C(=O)NCCCN2CCCCCC2=O)cn1)c1ccccc1 48374076 YDKVGCDNXNJVAI-SFHVURJKSA-N 395.503 3.744 0 40 GHAB CCOc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 55775951 MDNLRMTWUSFVCZ-UHFFFAOYSA-N 389.807 3.987 0 40 GHAB CCc1ccc(-c2noc(CNc3ccccc3N3CCC(O)CC3)n2)cc1 55887945 OTCCNRWFDFJSQV-UHFFFAOYSA-N 378.476 3.872 0 40 GHAB O=C(Nc1nc2c(s1)CCCC2)c1cc(O)c(OCc2ccccc2)cn1 61717629 IVOBIUINDXZLGQ-UHFFFAOYSA-N 381.457 3.954 0 40 GHAB COc1ccc(CCC(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)cc1 70637104 DAQXKCVELRUVAB-UHFFFAOYSA-N 397.862 3.957 0 40 GHAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2F)c1 71285241 FMBJRVPRJNRNMJ-JKSUJKDBSA-N 388.370 3.512 0 40 GHAB CCc1ccc(Oc2cc(N3CCC(C(=O)NCC(C)C)CC3)ncn2)cc1 71328242 FCTUPZIANXCWHQ-UHFFFAOYSA-N 382.508 3.820 0 40 GHAB CO[C@@H](C)c1noc(CN(C)C(=O)c2cccc(OCc3ccc(F)cc3)c2)n1 72311334 RLQOPTFLMQYNOC-AWEZNQCLSA-N 399.422 3.767 0 40 GHAB CC(C)N1CC[C@H](CCc2ccc(NC(=O)c3ccc(O)nn3)cc2)[C@H](C)C1 72335293 DVWOIZTWUADTDU-AEFFLSMTSA-N 382.508 3.734 0 40 GHAB CC(C)c1nccn1-c1nccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 72350538 FSMUCYKYXHPIGD-KRWDZBQOSA-N 393.466 3.945 0 40 GHAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc(OC)c1O 72405964 GJHYKHCLIWYFAC-ZDUSSCGKSA-N 385.445 3.839 0 40 GHAB C[C@H](c1ccccc1Cl)N1CCN(CCCNC(=O)C2CCCC2)CC1 75094084 GCLYSRXEIDALNM-QGZVFWFLSA-N 377.960 3.715 0 40 GHAB COc1ccc2cc(C(=O)N3CCC(Oc4ccc(C)cn4)CC3)c(C)nc2c1 95464893 UZDDDPVTZMRIEA-UHFFFAOYSA-N 391.471 3.939 0 40 GHAB Cc1c(-c2csc(NC(=O)[C@H]3CC(=O)OC3(C)C)n2)c2ccccc2n1C 96231072 GAEAHRMPVAKKDJ-CYBMUJFWSA-N 383.473 3.890 0 40 GHAB Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cn(-c2ccccc2)nn1 102724424 BKUOVRRHKLQALV-OAQYLSRUSA-N 398.470 3.950 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 223536134 OCOSKRXUXTWVGZ-SFHVURJKSA-N 396.531 3.916 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1C 224097184 WKTRSUXJVYMUSI-FQEVSTJZSA-N 396.531 3.872 0 40 GHAB Cc1cccc(CN(C(=O)COc2ccccc2C)[C@H](C)C(=O)NCC(C)C)c1 224143453 XZNNLYXPNXHEIN-HXUWFJFHSA-N 396.531 3.872 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1 225600723 NSXMEJDVGFLZMX-UHFFFAOYSA-N 395.843 3.658 0 40 GHAB C[C@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccco3)n2)C1 225913947 SBJBGJCULSJITH-RYUDHWBXSA-N 379.917 3.692 0 40 GHAB Cc1cccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 244008663 SJMJIPLQOUKCCI-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(Cc3nccn3C(C)C)C2)ncn1 257344855 ZYWWUASIIAXODP-GOSISDBHSA-N 394.523 3.981 0 40 GHAB CCC(=O)N1CCC2(CC1)Oc1ccccc1-c1nc(C(C)C)n(CCOC)c12 306124452 BPZQKDSIOJGUEJ-UHFFFAOYSA-N 397.519 3.940 0 40 GHAB Cc1ccc(C(=O)N2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)s1 306128857 HMTSFOFVMDFIGI-OAQYLSRUSA-N 397.475 3.874 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3cccc(F)c3)C[C@H]2N1Cc1cccs1 306134711 NVTXRUCEZYFROX-VQTJNVASSA-N 381.476 3.770 0 40 GHAB COc1cccc(C(=S)NC[C@@H]2CCCO2)c1OCc1ccc(F)cc1 408576017 PIORUGYHAUYTGO-INIZCTEOSA-N 375.465 3.857 0 40 GHAB CCCOc1ccc(C(=O)Nc2ccc(I)cn2)cc1 408623389 TUPCYVYVUCYAHX-UHFFFAOYSA-N 382.201 3.727 0 40 GHAB CC(C)C1=NN(C(=O)COc2ccc(Cl)cc2Cl)[C@](O)(C(F)(F)F)C1 409058598 TWAADENKKZLABR-CQSZACIVSA-N 399.196 3.867 0 40 GHAB CCOc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c2ccccc12 409068890 UJTPAXTYTABUOJ-OOIIIRTPSA-N 385.441 3.836 0 40 GHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(O)c3)[C@](O)(C(F)(F)F)[C@@H]2C1 409098685 JHYCOBQUJZSHJX-RVZJWNSFSA-N 384.398 3.917 0 40 GHAB NC(=O)/C=C\c1ccc(OCc2cccc(F)c2)c(I)c1 409416167 APGFBCBHJBMBBY-ALCCZGGFSA-N 397.187 3.508 0 40 GHAB Cc1nc(C(F)(F)F)ccc1NC(=O)N1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2 549009451 JZSNCVNWUQNYBG-ZIAGYGMSSA-N 391.397 3.995 0 40 GHAB O=C(Nc1csnc1-c1cccc(C(F)(F)F)c1)[C@@H]1OC[C@@H]2COCC[C@H]21 567466204 WCACCMOOPWBAGP-NORZTCDRSA-N 398.406 3.819 0 40 GHAB COc1ccccc1OCC(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 575609805 HKBPQGDBCFMKGQ-SFHVURJKSA-N 383.469 3.652 0 40 GHAB Cc1nc(NC(=O)N2CC[C@H](n3cccn3)C2)sc1Cc1ccc(F)cc1 583247039 VVVNTJRJQJSVFI-INIZCTEOSA-N 385.468 3.857 0 40 GHAB O[C@@H](COCc1ccccc1Cl)CN1CC[C@@H](Cc2ccc(F)cc2)C1 605902328 AXTIIJDSGACXBK-FXAWDEMLSA-N 377.887 3.921 0 40 GHAB COc1ccc2c(c1)[C@@H](c1nc(-c3cn(Cc4ccccc4)nn3)no1)CCC2 656020111 OLGRMQFQUZKWCH-SFHVURJKSA-N 387.443 3.853 0 40 GHAB O=C(c1ccc2c(O)ncnc2c1)N(CCc1ccccc1)Cc1ccncc1 1542754680 UEPNWQJOZAUYQH-UHFFFAOYSA-N 384.439 3.616 0 40 GHAB COc1cc(C)ccc1CN1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615158205 QQKSOVMKYVGBIK-HSZRJFAPSA-N 398.478 3.541 0 40 GHAB CC[C@H]1C[C@H](C(=O)N(C)CCN(C)c2cc(C(C)C)nc(C(C)C)n2)CCO1 1615610564 DPZYSYFHRCVFEZ-MSOLQXFVSA-N 390.572 3.823 0 40 GHAB Cc1oc(-c2ccccc2)nc1Cn1ccn(-c2ccccc2Cl)c(=O)c1=O 1889015959 OOLICCFZXJQHQN-UHFFFAOYSA-N 393.830 3.664 0 40 GHAB Cn1cc(-c2ccc(CCNC(=O)c3ccc(OC(F)(F)F)cc3)cc2)cn1 1889298783 KRSGYOSUVNHCCZ-UHFFFAOYSA-N 389.377 3.958 0 40 GHAB CC(=O)Nc1cccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)c1 47305482 FRFVPXLCYGMWAS-KRWDZBQOSA-N 379.504 3.734 0 40 GHAB O=C(Nc1cccc2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 883471 LHIGSYYJKNPBJM-UHFFFAOYSA-N 380.469 3.877 0 40 GHAB CCC(CC)NC(=O)CSc1nnc(NCc2ccc(OC)cc2)s1 8936244 XTXANMGOQPQNSE-UHFFFAOYSA-N 380.539 3.556 0 40 GHAB COc1ccc(CSc2nnc3c(Cc4ccccc4)c(C)nc(N)n23)cc1 1331325 SIVUXWHNBSADLB-UHFFFAOYSA-N 391.500 3.907 0 40 GHAB COc1ccc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)c(OC)c1 713392 PRZOYYSTYFDDNX-UHFFFAOYSA-N 390.439 3.562 0 40 GHAB biogenic COC(=O)CCN(Cc1ccncc1)C(=O)c1cc(-c2cccc(Cl)c2)on1 79057603 PNPOOWKLVGECRY-UHFFFAOYSA-N 399.834 3.596 0 40 GHAB CCOC(=O)[C@@](CC)(CCC(=O)OC)c1csc(Nc2ccccc2O)n1 1897886 GZGBFOLWQQCHDZ-IBGZPJMESA-N 392.477 3.756 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 1972605 IVBHSBKNNNGKLX-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB O=C(OCc1nc2ccccc2s1)c1ccc(S(=O)(=O)C(F)F)cc1 3381050 YIODCLZIRNTWBM-UHFFFAOYSA-N 383.397 3.650 0 40 GHAB Cc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 869088 VLBLKPQCCNBQIN-UHFFFAOYSA-N 399.541 3.913 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)cc1 6186607 SFLFWFZHNVSTHN-UHFFFAOYSA-N 383.429 3.582 0 40 GHAB CCn1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1ccc(C)cc1 6187381 JKFQJJXBCRMNQL-UHFFFAOYSA-N 377.473 3.802 0 40 GHAB CCn1c(SCC(=O)NC(C)(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 6544037 OVTRFCPKWRTIGV-NSHDSACASA-N 393.578 3.610 0 40 GHAB CCOc1ccc(NC(=O)[C@H](C)N2CCCc3c(NC(C)=O)cccc32)cc1 54368125 XXNAVDSVUPNZII-HNNXBMFYSA-N 381.476 3.824 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1C 7940015 OKGHNSNHTHKBDD-UHFFFAOYSA-N 394.349 3.600 0 40 GHAB COc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(C)nc2c1 12556138 MNISRTHMRKAELM-UHFFFAOYSA-N 379.435 3.653 0 40 GHAB O=C([C@@H](Sc1nc2cc(Cl)ccc2[nH]1)c1ccccc1)N1CCOCC1 9366970 IQRZAKQWSUDIAW-KRWDZBQOSA-N 387.892 3.909 0 40 GHAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c(Cl)c1 57486167 GGZRYBKYWYGGFN-UHFFFAOYSA-N 399.922 3.662 0 40 GHAB O=S(=O)(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1F 12652133 FDEJADDJICCHHX-UHFFFAOYSA-N 377.466 3.836 0 40 GHAB Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)n1 48255122 RJBZKLOCOFPCCG-CQSZACIVSA-N 385.512 3.861 0 40 GHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCCN1C[C@@H](C)C[C@H](C)C1 89520887 KVYGIGYLQLVEQX-GJZGRUSLSA-N 376.495 3.835 0 40 GHAB O=C(Cc1cnn(-c2ccccc2)c1)NCc1ccc(N2CCCCCC2)nc1 48263234 PPKAKEYQXPXNDU-UHFFFAOYSA-N 389.503 3.507 0 40 GHAB CCOc1ncccc1NC(=O)NCCCc1cn(-c2ccccc2)nc1C 58050699 OQDCWXOCPOLORG-UHFFFAOYSA-N 379.464 3.729 0 40 GHAB COc1ccc(CN2CC[C@@]3(COCc4cnc(-c5ccccc5)nc43)C2)cc1 105983285 MIKSKFZKIUWBQP-DEOSSOPVSA-N 387.483 3.826 0 40 GHAB CN(CCCn1ccnc1)CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 89346157 WFNRDJFIDABZLX-UHFFFAOYSA-N 386.515 3.706 0 40 GHAB Cc1ccc(NC(=O)N[C@H](CN(C)C2CCN(C)CC2)c2ccccc2)cc1 58244366 GYXYNDOEWDIQHA-JOCHJYFZSA-N 380.536 3.884 0 40 GHAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccc(F)cc1)C[C@H]1CCCO1 27793953 IOTFKDYHWYOVQS-QGZVFWFLSA-N 381.403 3.754 0 40 GHAB CCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)O 2105226 SZRSGMNZASYNOF-QGZVFWFLSA-N 399.443 3.767 0 40 GHAB biogenic CC[C@H](C)NC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2253289 SUQBIYUCMZQGQN-ZDUSSCGKSA-N 391.450 3.882 0 40 GHAB CC(C)[C@H](NCc1ccc(F)cc1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769448 GWTUNJIXEYWSKI-QFIPXVFZSA-N 398.482 3.955 0 40 GHAB Cc1cc(OCC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)ccc1Cl 11002194 JKGYBOYLEKKYDB-INIZCTEOSA-N 386.879 3.905 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)N2C(=O)[C@@H](C)SC2=N1 2463244 BVYVNTRHSOZEMA-ABAIWWIYSA-N 378.881 3.940 0 40 GHAB COc1cccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)c1 3423885 WQRIBKWTGBBDNG-UTSBKAFOSA-N 389.835 3.941 0 40 GHAB COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)no2)cc1 11905207 WLONBESWJSFKHB-NRFANRHFSA-N 391.471 3.917 0 40 GHAB Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)no2)cc1 2798217 AHDATOWIXZGMBB-UHFFFAOYSA-N 381.457 3.942 0 40 GHAB CC(C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 3505825 STAZULVYLMRTCY-UHFFFAOYSA-N 386.945 3.681 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(C)(=O)=O)cc1 12919756 HKLHGTFJMKUJDB-SNVBAGLBSA-N 388.272 3.803 0 40 GHAB COc1ccc(CNC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 3613151 ACAIURWMULAHOQ-UHFFFAOYSA-N 377.440 3.969 0 40 GHAB CC(=O)Nc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc3ccccc3c2)ccc1F 48800217 IRAAXAGDGPAZSQ-ZDUSSCGKSA-N 393.418 3.753 0 40 GHAB COc1ccc2ccccc2c1[S@](=O)Nc1ccc(N2CCN(C)CC2)cc1 4053741 ALIMEBYZQDJQLY-MUUNZHRXSA-N 395.528 3.735 0 40 GHAB Cc1c(CCC(=O)NCCc2c[nH]c3ccccc23)c(=O)oc2cc(O)ccc12 4088467 IQJGEKWVNKIXCX-UHFFFAOYSA-N 390.439 3.580 0 40 GHAB biogenic CC(C)(C)n1ncc(NC[C@@H](O)c2ccccc2C(F)(F)F)c(Cl)c1=O 64538497 WOUUAECAPDZFAP-CYBMUJFWSA-N 389.805 3.816 0 40 GHAB Nn1c(SCc2cn3ccccc3n2)nnc1-c1ccc(Cl)cc1Cl 4289228 DCWLGRGIBYMROT-UHFFFAOYSA-N 391.287 3.906 0 40 GHAB COc1ccc(N2CCCN=C2NC(=O)c2cccc(Cl)c2)cc1Cl 28535792 DNTXYQOIDGBPDI-UHFFFAOYSA-N 378.259 3.998 0 40 GHAB Cc1ccc2c(=O)cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)oc2c1 5346375 FAHCHZHXEFCMOP-UHFFFAOYSA-N 382.847 3.717 0 40 GHAB COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1cccc(Cl)c1)CC2 5389122 NSWYBWWVOHFHQM-LBPRGKRZSA-N 381.881 3.665 0 40 GHAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)[C@@H]1CCS(=O)(=O)C1 21588172 QUSMBAWNLIQWCA-QGZVFWFLSA-N 398.509 3.850 0 40 GHAB CCOC(=O)C1=C(CSc2ccc(F)cc2)NC(=O)N[C@@H]1c1ccccc1 4564143 SZFMCVPKDYTDJD-GOSISDBHSA-N 386.448 3.789 0 40 GHAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(OC)cc4)c3)nn12 4556473 BDXUSFVFMNZQCP-UHFFFAOYSA-N 393.472 3.985 0 40 GHAB O=C(CNC(=O)c1ccc2ccccc2c1)Nc1cccc(Br)c1 14227570 BRENYHFEOKXQMH-UHFFFAOYSA-N 383.245 3.971 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CCC[C@H](C)C1 5499418 GBZFOGVNOLRSEP-STQMWFEESA-N 375.444 3.543 0 40 GHAB CCOc1ccccc1C(=O)NCC(=O)OCc1cnc(-c2ccccc2)s1 6560453 KXOCYSNPIVLQHX-UHFFFAOYSA-N 396.468 3.682 0 40 GHAB C[C@H]1CCN(C(=O)Cn2nnc(-c3ccccc3Cl)n2)c2ccccc2S1 4763346 AMIFGBXLVRYCOC-ZDUSSCGKSA-N 399.907 3.911 0 40 GHAB Cn1ccnc1[C@@H](NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1F 14700586 DRHQPODCVYDGSE-FQEVSTJZSA-N 397.475 3.555 0 40 GHAB COc1cc(C)c(NC(=O)COc2ccc(F)cc2Br)cc1OC 5616598 RIXWIWFUYWZVFQ-UHFFFAOYSA-N 398.228 3.931 0 40 GHAB CCN(CC)c1ccc(-c2nnc(SCC(N)=O)n2-c2ccccc2C)cc1 6986310 FTWWEMNYDWMPEG-UHFFFAOYSA-N 395.532 3.666 0 40 GHAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)NC2CCC(C)CC2)c1 67246495 AJTDEVGETCBPDD-UHFFFAOYSA-N 382.508 3.607 0 40 GHAB COc1ccc(CN(C(=O)COC(=O)c2cn(C)c3ccccc23)C2CC2)cc1 15517425 OZOTVXVBFMTXKP-UHFFFAOYSA-N 392.455 3.535 0 40 GHAB CCN(CC)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 22276056 AXTAEFXVVCKSJG-UHFFFAOYSA-N 394.924 3.712 0 40 GHAB CCC(=O)N(c1nnc(S[C@H](C)C(=O)c2ccc(F)cc2)s1)C1CC1 7673054 FLTDROIXHNMYJW-SNVBAGLBSA-N 379.482 3.946 0 40 GHAB C[C@H](OC(=O)c1cc(=O)c2cc(Cl)ccc2o1)C(=O)N(C)c1ccccc1 7761759 KNCAGVIYECMQPB-LBPRGKRZSA-N 385.803 3.655 0 40 GHAB Nc1nc(COC(=O)c2cc3cc(F)ccc3s2)nc(Nc2ccccc2)n1 7752784 LOUCNYQGRPCOPT-UHFFFAOYSA-N 395.419 3.908 0 40 GHAB Fc1cccc(C2(c3nnc(-c4ccc5c(c4)OCCO5)o3)CCOCC2)c1 71889798 GEUIKDZGFWFILA-UHFFFAOYSA-N 382.391 3.743 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](c2nc3ccccc3s2)C1 8039645 ZRBSXWCAGOFCGV-AWEZNQCLSA-N 393.468 3.610 0 40 GHAB O=C(NCCC1=CCCCC1)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409137116 VDMCEZWNGLVUJI-UHFFFAOYSA-N 398.488 3.962 0 40 GHAB CN(Cc1ccsc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 8501154 ZKZKTGPNWWFSBB-UHFFFAOYSA-N 392.937 3.948 0 40 GHAB Cc1ccc(SCCNC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 8719629 LXKNYUGDJAZHPI-UHFFFAOYSA-N 396.434 3.652 0 40 GHAB Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ncn(C)c2Cl)cc1 26530744 SZVPBYGQMGFANA-UHFFFAOYSA-N 376.869 3.926 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(Cc1cccnc1)C3=O 8846259 BOQXZDDRUBFZBF-NRFANRHFSA-N 398.418 3.947 0 40 GHAB C[C@H](NC(=O)/C=C/c1cc(Br)cs1)[C@H](O)Cc1ccccc1 84139688 SQKYUSHIAPEODH-JOKOQDNYSA-N 380.307 3.632 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C(=O)NCC(C)C 408584814 VJVLIKCFRYRPFD-UHFFFAOYSA-N 380.897 3.835 0 40 GHAB CC(C)CCc1cc(=O)[nH]c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 22448994 DLTRBGTWUSADSR-UHFFFAOYSA-N 394.441 3.704 0 40 GHAB CCOC(=O)N1CCC(NC(=O)CCCOc2ccc(Cl)c(C)c2)CC1 24470958 VVUWZFNUWRTHSL-UHFFFAOYSA-N 382.888 3.545 0 40 GHAB COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(Br)c1OC 409024428 SLEAATHANKXQGS-GHXNOFRVSA-N 386.267 3.911 0 40 GHAB COc1ccc(CN2Cc3c(nc(C)n3CC3CC3)C3(CCN(C)CC3)C2)cc1 306133563 MPOIWBCAWMWEIN-UHFFFAOYSA-N 394.563 3.589 0 40 GHAB CC(C)Oc1ccc(N2C[C@H](C(=O)NCCCCc3ccccc3)CC2=O)cc1 408706948 FNWRWGXFFOXHRM-HXUWFJFHSA-N 394.515 3.966 0 40 GHAB COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(-c3ccco3)n1C1CC1)C2 32105767 HRANCDYVASAVMK-KRWDZBQOSA-N 397.456 3.790 0 40 GHAB Cc1nc2c(c(=O)[nH]1)[C@H](c1c(F)cccc1Cl)c1cc3c(cc1O2)OCO3 72408135 CRXVQUGMZZRQGZ-HNNXBMFYSA-N 386.766 3.885 0 40 GHAB CCOc1ccccc1NC(=O)C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21 39964123 MMCFDOVKTIHKJY-SFHVURJKSA-N 390.443 3.514 0 40 GHAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(CC[C@@H](C)c2ccccc2)C3)C1 72390915 VMDYUJXHFVICHB-WIYYLYMNSA-N 392.547 3.754 0 40 GHAB CCc1nnc(S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)O)o1 214860559 DANCERFUGZGEFK-ZROIWOOFSA-N 386.385 3.808 0 40 GHAB CC(=O)Nc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 72378012 UCBMRTOXMBVHHE-GOSISDBHSA-N 394.504 3.972 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 77197777 KVQRQUIVHWNLQO-SECBINFHSA-N 389.761 3.770 0 40 GHAB Cc1cc(OCC(=O)NCCOc2ccccc2)cc(C)c1Br 224243188 NCPGTCIRKGFKDP-UHFFFAOYSA-N 378.266 3.640 0 40 GHAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(OC)c(C)c2)c1C 224657973 JUJALBURASVHPG-UHFFFAOYSA-N 391.489 3.704 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223807512 AYVMIIPLFYDQQM-IBGZPJMESA-N 394.515 3.850 0 40 GHAB CCOC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 225042255 UDFDRKWHKSUHEE-UHFFFAOYSA-N 383.469 3.907 0 40 GHAB CC(C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccccc3)ccc2s1 46058442 RXZABSVJVDZCOT-UHFFFAOYSA-N 388.514 3.865 0 40 GHAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 222758715 UPEVTHWZVBJMRC-ZWKOTPCHSA-N 379.441 3.642 0 40 GHAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1C 224561124 HMRIEVUCJQEOGB-UXHICEINSA-N 378.501 3.914 0 40 GHAB CCc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222927320 AERXIEYFVCVUDJ-ZDUSSCGKSA-N 394.924 3.789 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 224658341 YGJSECABVWQTLE-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3nccs3)CC2)Oc2ccccc21 96053315 KXPVVRPTTKALRJ-QGZVFWFLSA-N 399.560 3.959 0 40 GHAB Cc1ccc(CN2CC[C@@]3(COCc4c(C)nc(NCC5CC5)nc43)C2)cc1 96244493 PXHZRBYRNCTYAM-QHCPKHFHSA-N 378.520 3.589 0 40 GHAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3ncccc3C)CCO2)n1 257227619 FQEASJIILFMWQN-LJQANCHMSA-N 392.459 3.525 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NC[C@@H](c1ccoc1)N1CCSCC1 253394082 ACCWAADYQGIZTF-QWNKOJSDSA-N 376.909 3.853 0 40 GHAB Cc1cccc(CS(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)c1 96119842 LYVQKEIUEPJHLM-UHFFFAOYSA-N 391.539 3.969 0 40 GHAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1nccc2ccccc12 585111602 XOGQHWXOOVUYMF-NRFANRHFSA-N 398.466 3.523 0 40 GHAB Cn1nc2c(c1CN1CCC[C@H](COc3ncccc3C(F)(F)F)C1)CCC2 1776000787 KJGVHNKWVFBQKL-AWEZNQCLSA-N 394.441 3.614 0 40 GHAB CCn1nc(C)cc1C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 95958449 XIZLXGOVILSLFK-UHFFFAOYSA-N 392.488 3.988 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n1 40086552 MLTKSOKWNZYIOF-HNNXBMFYSA-N 378.259 3.940 0 40 GHAB CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccccc1OC 5131312 DNYNVGGNNVJFCR-UHFFFAOYSA-N 394.500 3.655 0 40 GHAB Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cnn(C(C)C)c3)CC2)n1 12117263 JQJGIFVSQMHWRJ-UHFFFAOYSA-N 390.491 3.644 0 40 GHAB CCN(CCCNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)c1ccccc1 14903621 XGANFJOATKKESO-OUKQBFOZSA-N 398.503 3.758 0 40 GHAB Cc1ccc2scc(CC(=O)N3CCC[C@@H](c4n[nH]c5nccnc45)C3)c2c1 19220620 PCCDESRBDUQZFP-CQSZACIVSA-N 391.500 3.825 0 40 GHAB Cc1nc2ccc(NC(=O)C34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)cc2s1 19286586 XOJBRZXHXVVPRR-LWYUSKRHSA-N 394.504 3.525 0 40 GHAB COc1ccc(CN(C)C(=O)c2c(-c3ccccc3OC)noc2C)cc1OC 19579639 QTWAMTHFADNFSR-UHFFFAOYSA-N 396.443 3.948 0 40 GHAB COc1ccc(NC(=O)c2cnc(C3CCN(CC4CC4)CC3)nc2C)cc1 19763831 VYHVOAPYAYWFCX-UHFFFAOYSA-N 380.492 3.635 0 40 GHAB Cc1cc(OC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc(=O)o1 206973633 JUPFTDMDYBDFDH-UHFFFAOYSA-N 382.243 3.939 0 40 GHAB COc1ccccc1CC(=O)N1CCC[C@@]2(CC1)CN(C)Cc1ccccc1O2 12366024 FXKCHDCFKIZKMQ-XMMPIXPASA-N 394.515 3.513 0 40 GHAB O=C(Cc1csc(-c2ccccn2)n1)NCc1ccccc1OC(F)F 10114971 DIYWXTFOUHLOAC-UHFFFAOYSA-N 375.400 3.665 0 40 GHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C 5667266 OZPGVIRWKFOVEP-OAHLLOKOSA-N 375.424 3.983 0 40 GHAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 6553625 PWWDTVIBIMUXGH-IBGZPJMESA-N 376.815 3.845 0 40 GHAB COc1ccc(CC(=O)N2CCN=C2SCc2ccc(F)cc2)cc1OC 4119968 XPTHAAYQRIQFLR-UHFFFAOYSA-N 388.464 3.517 0 40 GHAB COc1ccc2nc(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)cn2n1 11693476 XXCQZCIWZFAHBL-UHFFFAOYSA-N 380.354 3.935 0 40 GHAB O=C(/C=C/c1cccs1)N1CCc2c(COCc3ccncc3)cncc2C1 2055751366 OGBOJJLOGNUHGI-ONEGZZNKSA-N 391.496 3.853 0 40 GHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc2c3c(c1)[C@H](C)C(=O)N3CCC2 101079190 FHMMQJAJBOTFAB-LBPRGKRZSA-N 390.892 3.846 0 40 GHAB Cc1ccc(NC(=O)Cn2c(=O)nc(N3CCC(C)CC3)c3ccccc32)cc1 49004256 KAPCKJMYXOIRRS-UHFFFAOYSA-N 390.487 3.580 0 40 GHAB CCOc1cccc(-c2noc(-c3nn(-c4cc(C)cc(C)c4)ccc3=O)n2)c1 49006350 ZPLIXIBJCVHBHX-UHFFFAOYSA-N 388.427 3.965 0 40 GHAB CCCN(C)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1 58137123 CPXSOHSVWOLLKH-FQEVSTJZSA-N 380.467 3.925 0 40 GHAB Cc1nnc2sc(-c3ccc(CNC(=O)c4ccccc4Cl)cc3)nn12 20427372 VTEQGODZTDJGJW-UHFFFAOYSA-N 383.864 3.745 0 40 GHAB CCN(CC)CCNc1nc2sc(C)c(C)c2c2nc(-c3ccco3)nn12 31815330 LHPHGYREEYDSSP-UHFFFAOYSA-N 384.509 3.970 0 40 GHAB COc1ccc(C2(C(=O)N[C@@H](C)CCc3ccccc3)CCOCC2)cc1OC 20762516 OEJXXJQMKRMWLF-SFHVURJKSA-N 397.515 3.890 0 40 GHAB biogenic CC(C)c1noc(-c2ccc(OCC(=O)NCc3cc(F)cc(F)c3)cc2)n1 32578891 XPLYQZCRCDYNHZ-UHFFFAOYSA-N 387.386 3.833 0 40 GHAB Cc1nc2ccccc2nc1COC(=O)CCc1nc(-c2ccsc2)no1 32776332 MPSDKIHAADQXTI-UHFFFAOYSA-N 380.429 3.726 0 40 GHAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)C(C)(C)C)cc(Cl)c1O 716218 NQCWSTXSEFWPAN-BONVTDFDSA-N 396.871 3.660 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2ccccc2OC)c(C(=O)OCC)c1C 716766 FXOPIXNAZJLJHH-UHFFFAOYSA-N 391.445 3.671 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3nc4c(s3)CCCC4)n2C)cc1 904408 IAOLTZWQSZNXCF-UHFFFAOYSA-N 399.545 3.857 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc2c3cc(F)ccc3n(C)c2n1 1366361 BNKODLGGXZWZET-TXEJJXNPSA-N 387.484 3.537 0 40 GHAB Oc1cc2ccccc2cc1-c1nc2c3cnn(-c4ccccc4)c3ncn2n1 2235916 GBPFFMJUZQWTMN-UHFFFAOYSA-N 378.395 3.989 0 40 GHAB O=C(CSc1ncnc2c1cnn2Cc1ccccc1)Nc1ccc(F)cc1 2450219 RJCVNAPQMXEGTN-UHFFFAOYSA-N 393.447 3.745 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccc(F)cc2)cc1 3221134 CVDBMISSAPIHPE-UHFFFAOYSA-N 385.416 3.870 0 40 GHAB O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCc1ccccc1Cl 3314757 VMHORPHKDBUGHM-UHFFFAOYSA-N 394.254 3.816 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2oc3ccccc3c2C)c1C 3318951 AUVWJFLRDNLLII-UHFFFAOYSA-N 383.400 3.903 0 40 GHAB CCOc1ncccc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 3327543 GUTUEIUTHRGFCP-UHFFFAOYSA-N 383.429 3.627 0 40 GHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc2c(c1)NC(=O)CS2 3336455 QYDNGNBKLUSQGH-UHFFFAOYSA-N 378.400 3.604 0 40 GHAB CCCCOc1ccc(C(=O)OCC(=O)Nc2cc(OC)ccc2OC)cc1 3361243 VXSHJDRUWULNGJ-UHFFFAOYSA-N 387.432 3.678 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)c3cc(C)n(C[C@@H]4CCCO4)c3C)ccc12 3364969 INPBOVQYYFBMKO-SFHVURJKSA-N 395.455 3.960 0 40 GHAB CCOC(=O)[C@@](O)(c1ccc(N(CC)C(=O)c2ccccc2)cc1)C(F)(F)F 4016956 OVFRIRSEASSMPP-IBGZPJMESA-N 395.377 3.666 0 40 GHAB CN1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2F)CC1 4053823 WVVAXIYEFMURNB-UHFFFAOYSA-N 393.915 3.962 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(OCC)c1 4741602 IGIQZJHDBBFQNA-HXUWFJFHSA-N 393.443 3.993 0 40 GHAB Cc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)c2ccccc2n1 4766244 OZBSITLWKUCVIL-UHFFFAOYSA-N 392.411 3.500 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1 5017167 XSXRRQGFNQEAJS-JTQLQIEISA-N 387.490 3.611 0 40 GHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 5241729 MRPVXHSEACVHHT-UHFFFAOYSA-N 398.509 3.955 0 40 GHAB Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nc1Cc1ccccc1 5312493 LEEJUIJHGNETMG-AWEZNQCLSA-N 394.500 3.527 0 40 GHAB Cc1ccc(-n2nnnc2S[C@@H](C(=O)N2CCCC2)c2ccccc2)c(C)c1 5472032 XETKSYHLXYKTHW-LJQANCHMSA-N 393.516 3.735 0 40 GHAB O=S(=O)(NCc1ccco1)c1cccc(Nc2ncnc3sccc23)c1 5688258 USDUEBNUYIWPEX-UHFFFAOYSA-N 386.458 3.506 0 40 GHAB Cc1ccc(NC(=O)/C=C/c2cccs2)cc1S(=O)(=O)N1CCCCC1 5884596 JFLWMXNVOCWGOU-MDZDMXLPSA-N 390.530 3.883 0 40 GHAB C[C@@H]1CCCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)C1 6144209 CHQRQYAQKRCZSF-OAHLLOKOSA-N 382.489 3.667 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)c1ccccc1NS(=O)(=O)c1cccs1 6244631 KIICAEPTDQXZHI-UHFFFAOYSA-N 398.469 3.678 0 40 GHAB CCCSc1nc(N2CCOCC2)c2sc3c(c2n1)COC(C)(C)C3 6764646 JDDMJPQDDRHJFR-UHFFFAOYSA-N 379.551 3.881 0 40 GHAB C[C@@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)c1ccccc1 6931925 MYAZHOWSCFBUQH-MRXNPFEDSA-N 398.418 3.814 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CSc3nc(-c4cccs4)n[nH]3)n2)cc1 7199868 UTGSWLCFSRCOLU-UHFFFAOYSA-N 396.505 3.645 0 40 GHAB CN(C)C(=O)[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccccc1 7617197 OEKAYFJYKKFBKK-KRWDZBQOSA-N 379.489 3.597 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)CC2=O)cc1 7737658 LBUNNVXAVNNLIL-ZFWWWQNUSA-N 398.425 3.628 0 40 GHAB COc1cc(NC(=O)c2c(C)noc2C)c(OC)cc1NC(=O)c1ccccc1 7814280 ROJAEKHWAQCKAH-UHFFFAOYSA-N 395.415 3.813 0 40 GHAB Cc1cccc(N2C(=O)N(c3ccccc3Cl)[C@@H]3CS(=O)(=O)C[C@H]32)c1C 8064212 FYYSYSMIRGHJST-QZTJIDSGSA-N 390.892 3.569 0 40 GHAB COc1ccccc1C(=O)Oc1ccccc1-c1cc(=O)n2c(n1)CCCCC2 8495986 DPNGXPCMOAAELI-UHFFFAOYSA-N 390.439 3.865 0 40 GHAB C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1c[nH]c2ccccc12 8526678 IQCBYWCRYOQIFZ-DYVFJYSZSA-N 386.448 3.682 0 40 GHAB Cc1ccc([C@]2(C)NC(=O)N(Cc3c(F)c(F)c(F)c(F)c3F)C2=O)cc1 8644085 RIMDASQAJUQQOT-SFHVURJKSA-N 384.304 3.658 0 40 GHAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccccc1Cc1ccccc1 8727650 ZJWQGMPIQMGUGU-UHFFFAOYSA-N 391.452 3.794 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(C)c2)cc1 9237317 NDOZLXRTFRSSJG-MSOLQXFVSA-N 379.489 3.601 0 40 GHAB O=C(OCc1nnc(-c2cccs2)o1)C(O)(c1ccccc1)c1ccccc1 9254844 ZSMGWDQRTIUAIH-UHFFFAOYSA-N 392.436 3.777 0 40 GHAB Cc1ccc(NC(=O)CSc2nccn(-c3cccc(F)c3)c2=O)c(C)c1 10272988 IYDLAPCQHMNYDS-UHFFFAOYSA-N 383.448 3.719 0 40 GHAB CC(C)(C)c1ccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1 10434308 SWLNJOICRSCUNL-UHFFFAOYSA-N 378.469 3.528 0 40 GHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccn1 10557658 AFMOGTYUUSAOIQ-AWEZNQCLSA-N 399.447 3.513 0 40 GHAB O=C(NCC1(c2ccc(F)cc2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 11988656 AMZRHXGSNXDWLZ-UHFFFAOYSA-N 396.340 3.511 0 40 GHAB CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cccc3cccnc23)C1 12157647 SHSIGWCZXIHBGH-QUCCMNQESA-N 380.517 3.781 0 40 GHAB CN1C(=O)c2ccc(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)cc2C1=O 12788090 PFRMKUZMIROZIY-OAHLLOKOSA-N 386.860 3.533 0 40 GHAB COc1cc(C2=NN=C(N[C@H]3CCCC[C@@H]3C)SC2)cc(OC)c1OC 12797711 GCHFNXMRXQKPCQ-JSGCOSHPSA-N 377.510 3.688 0 40 GHAB CCOC(=O)c1c(NC(=O)C[C@](C)(C(=O)O)c2ccccc2)sc(C)c1C 13251068 INYADMCTKTZUPC-FQEVSTJZSA-N 389.473 3.913 0 40 GHAB CC(C)C[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1 13505224 QLQBGZXIFQTVTI-FQEVSTJZSA-N 396.564 3.692 0 40 GHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 13685771 KXUKXSSSMSEFHD-ROUUACIJSA-N 396.487 3.618 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1F 14037439 PEAICCDITVHFHL-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCC[C@@H](C)C1 14248920 WJWLFWZHDWEAKB-CQSZACIVSA-N 390.480 3.807 0 40 GHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccccc2Cl)CC1=O 14373235 BSQNYKZHIYVUBC-LLVKDONJSA-N 379.243 3.994 0 40 GHAB Cc1nc2cc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)ccc2o1 15542234 ATQXNLCPXQTRBQ-UHFFFAOYSA-N 378.837 3.592 0 40 GHAB COC(=O)c1ccc(C(=O)/N=c2/sc3c4ccccc4ccc3n2C)cc1 17149569 FMQIQXHQKXQYGL-QURGRASLSA-N 376.437 3.921 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(C)ccc2C)cc1 18076759 GMDCYDBTJYTVLT-UHFFFAOYSA-N 388.533 3.905 0 40 GHAB CCn1nc(C)c([C@H](C)NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1C 19523750 KEEIUQLZLUNQBF-NSHDSACASA-N 393.413 3.766 0 40 GHAB CCCOc1ccccc1CN1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 19525169 UONNCGXVIHAYIO-NRFANRHFSA-N 380.536 3.981 0 40 GHAB CC(C)c1n[nH]c(CC(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)n1 19718477 WFNKQMGTXZAXJL-INIZCTEOSA-N 394.523 3.807 0 40 GHAB CC(C)(C)OC(=O)COC(=O)c1cn(-c2cccc(F)c2)c(=O)c2ccccc12 21360080 DDJANUHQFVYWPP-UHFFFAOYSA-N 397.402 3.628 0 40 GHAB O=S(=O)(NCCOc1ccc(Cl)cc1)c1ccc(Br)s1 22277004 CRFMZNFRCWAACY-UHFFFAOYSA-N 396.715 3.521 0 40 GHAB CCS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2F)cc1 22285959 COFQWIRHOSUDOC-UHFFFAOYSA-N 386.242 3.634 0 40 GHAB C[C@H](NC(=O)CN1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 22931155 JMLCFZZJAOEPBN-RRVLBIQBSA-N 395.591 3.525 0 40 GHAB Cc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3ccco3)nc12 22997316 CESOLVVRYNPOMD-UHFFFAOYSA-N 385.489 3.567 0 40 GHAB CCCCCC(=O)Nc1ccc(C(=O)Cn2cnc3sccc3c2=O)cc1 23064753 NUVZYSWPDQFITN-UHFFFAOYSA-N 383.473 3.860 0 40 GHAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(C(F)(F)F)cc1 23160144 BVIUBMIPEGGNQL-SFHVURJKSA-N 396.384 3.648 0 40 GHAB COc1ccc(C(=O)OCCOc2ccccc2)cc1OCc1ccccn1 24747726 NYMCBFAFLYTATE-UHFFFAOYSA-N 379.412 3.905 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)COc3ccccc3C(F)(F)F)ccc21 24755304 AMRZISRRHUOJQM-UHFFFAOYSA-N 378.350 3.632 0 40 GHAB CC(C)c1ccc(CN(C)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 25139692 DEBAINDATUMXRQ-UHFFFAOYSA-N 395.547 3.984 0 40 GHAB O=C(CCc1nc(-c2cccs2)no1)NCc1ccc(Br)s1 25474079 KBJJNMPSVWNXEN-UHFFFAOYSA-N 398.307 3.871 0 40 GHAB COc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)cc1 27664539 ZZKWHPCGVWQFLX-QFIPXVFZSA-N 382.504 3.726 0 40 GHAB COCc1ccccc1CNC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 29734947 GRFQLSAXKFJZFF-LJQANCHMSA-N 398.894 3.809 0 40 GHAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(Br)ccc1O 31264659 JEHHRGMVGDDQNX-HNNXBMFYSA-N 392.249 3.965 0 40 GHAB O=C(NCc1ccccc1CN1CCOCC1)C1(c2ccccc2)CCCC1 32413121 IWYHMHXAUCOLGE-UHFFFAOYSA-N 378.516 3.647 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)NCC1(c2ccccc2)CC1)c1cccc(F)c1 32802395 GPKWGUBKKSGPFB-IBGZPJMESA-N 378.451 3.680 0 40 GHAB C[C@H](NC(=O)CCCNC(=O)c1ccco1)c1ccc(OC(F)(F)F)cc1 32817068 TYXNWPUPCDAGJM-LBPRGKRZSA-N 384.354 3.566 0 40 GHAB CN(Cc1cccs1)C(=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 32929645 ZCQVVLAHJSTLGD-UHFFFAOYSA-N 392.329 3.628 0 40 GHAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2c(Cl)cccc2Cl)CC1 36613830 MPDABBWBLBSZJS-UHFFFAOYSA-N 379.291 3.552 0 40 GHAB COc1c(Br)cc(F)cc1NC(=O)CC1(C(=O)O)CCCCC1 40062505 HFBDNKLSEJALIH-UHFFFAOYSA-N 388.233 3.961 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c(C)c1 40062872 QSTOHGSXJQKEEA-IBGZPJMESA-N 375.490 3.970 0 40 GHAB CCCCCOc1ccc(CNCc2ccccc2CS(=O)(=O)NC)cc1 40088623 ODBYSBGFQBOIEJ-UHFFFAOYSA-N 390.549 3.595 0 40 GHAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2)C1 40150221 XBSSSFIVOMMIFY-HLLBOEOZSA-N 395.341 3.692 0 40 GHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Oc1ccc(-n2cnnn2)cc1 40160283 QQLQHSYCLFRZEC-UHFFFAOYSA-N 399.769 3.637 0 40 GHAB C[C@H](NC(=O)CCn1nc(-c2cccc(Cl)c2)ccc1=O)c1ccc(F)cc1 41253655 MYNRUBLOQNPWAZ-AWEZNQCLSA-N 399.853 3.970 0 40 GHAB NC(=O)c1cccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 43716897 XNHNDRAVXGNKJM-UHFFFAOYSA-N 380.473 3.807 0 40 GHAB CC(C)[C@@H](NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1 45151149 PNTKAHAQZQSVTL-CZUORRHYSA-N 375.410 3.706 0 40 GHAB CC(C)c1ccc(-c2noc(CN3CCN(c4ccc(O)cc4)CC3)n2)cc1 45560522 MKQZXFLCQDPWJK-UHFFFAOYSA-N 378.476 3.888 0 40 GHAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)NC(=O)NCCc1cccs1 46586844 GYCMKHXEZLLRSZ-AWEZNQCLSA-N 385.489 3.556 0 40 GHAB CCCN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 58148785 DJUALRVSSVFXNK-UHFFFAOYSA-N 388.515 3.766 0 40 GHAB Cc1nc(C(C)C)sc1C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 58428539 VFOWTMANYJEAIN-UHFFFAOYSA-N 386.521 3.529 0 40 GHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)N[C@@H]1COc2ccccc21 58577019 KJGITLLLZMPDFC-MRXNPFEDSA-N 380.366 3.698 0 40 GHAB O[C@@H](CNCc1cc(Br)c2c(c1)OCO2)c1ccc(Cl)cc1 58667516 MNLSFATUEMGTGL-AWEZNQCLSA-N 384.657 3.654 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1C 59488510 GBONSAGITVPHCY-MRXNPFEDSA-N 385.847 3.736 0 40 GHAB CCOc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1 63888247 VNLGODQDOSGIMV-UHFFFAOYSA-N 383.473 3.784 0 40 GHAB Cc1nccn1CCCC(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65376103 MRVUZGNSFUILKF-FCHUYYIVSA-N 377.488 3.502 0 40 GHAB Cc1nc(NC(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)oc1C 65816486 HWEZJNHNCFXLLH-SECBINFHSA-N 396.241 3.708 0 40 GHAB O=C(CN1CCC(O)(c2cccnc2)CC1)Nc1ccccc1-c1ccccc1 72341622 HUWHNKIWJCKDSG-UHFFFAOYSA-N 387.483 3.671 0 40 GHAB CS(=O)(=O)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357735 AHTSBPOVXWMUOZ-KRWDZBQOSA-N 384.423 3.788 0 40 GHAB O=C(CN1CCC(c2cncc(-c3cccc(F)c3)n2)CC1)Nc1nccs1 72359416 FRRBCBLOFXOXLT-UHFFFAOYSA-N 397.479 3.557 0 40 GHAB O=C(Cc1ccccc1)N1CCC[C@@H](c2cncc(-c3ccc(CO)cc3)n2)C1 72359449 WLYZBDSTJKZHJI-OAQYLSRUSA-N 387.483 3.585 0 40 GHAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(=O)n(C)c1 84019791 VCRFNIMUBRXODP-UHFFFAOYSA-N 378.215 3.908 0 40 GHAB CC(=O)N1CCC(C(=O)N[C@H](C)c2sc(C)nc2C)(c2ccccc2)CC1 84062180 RWOCXYAIRQWNIU-OAHLLOKOSA-N 385.533 3.517 0 40 GHAB O=C(C[S@@](=O)Cc1cccc2ccccc12)N1CCC(c2ccccc2)=N1 84525278 KSABPLGVSNXROL-HHHXNRCGSA-N 376.481 3.725 0 40 GHAB Cc1n[nH]c(-c2ccc(NCc3c[nH]nc3-c3ccc4c(c3)OCCO4)cc2)n1 89708944 GVMVOYDKIKPUDC-UHFFFAOYSA-N 388.431 3.554 0 40 GHAB O=C(NCCc1c[nH]c2cc(F)ccc12)[C@@H]1CC(c2ccc(Cl)s2)=NO1 89807226 KVJLRPJAIVLKGK-HNNXBMFYSA-N 391.855 3.874 0 40 GHAB O=C(c1ccc(-c2ccccc2)cc1)N1CCCSC[C@@H]1CN1CCOCC1 90609069 JURJNIGBVPREDO-QFIPXVFZSA-N 396.556 3.634 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2ccc(Cl)c(-n3cccc3)c2)n1 95475134 RHPZGOUZCYEBIK-UHFFFAOYSA-N 389.864 3.945 0 40 GHAB CC(C)c1ocnc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 95956534 KEJAJVCEJFNJKN-UHFFFAOYSA-N 396.274 3.703 0 40 GHAB Cc1cccc(C(=O)NC(=S)Nc2cc(Cl)ccc2N2CCOCC2)c1 98086851 BXQMHIKTRYHVNM-UHFFFAOYSA-N 389.908 3.612 0 40 GHAB O=C(NC1(c2nc(-c3cnccn3)no2)CCCCC1)C1(c2ccccc2)CC1 98212962 KHUVRJZPKVPKOB-UHFFFAOYSA-N 389.459 3.534 0 40 GHAB Cc1nccn1-c1ccc(CNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 216309170 JWQFPWZHQRWVLR-UHFFFAOYSA-N 396.450 3.611 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccc1-n1ccnc1C 216335473 PHUGVTDHTVBUNQ-NRFANRHFSA-N 379.460 3.663 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)N1CCS[C@@H](c2cccs2)CC1 219544381 UBEZLTRKCBGNAP-OAHLLOKOSA-N 387.523 3.765 0 40 GHAB COc1ccc2c(c1)[C@H](NC(=O)CCc1ccc3c(c1)OCCO3)CC(C)(C)O2 222645398 BWRYPZZRUUHPDT-GOSISDBHSA-N 397.471 3.818 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C)c1 223000662 IIMSGVMLRAAXCP-NHCUHLMSSA-N 392.528 3.800 0 40 GHAB CN(Cc1ccccc1Cl)C(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224510720 SGOAIBOOLJFZOT-UHFFFAOYSA-N 392.908 3.542 0 40 GHAB CC(C)c1ccc(N(CCCC(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1 224664118 SNWZAVALZZVMBW-UHFFFAOYSA-N 392.565 3.973 0 40 GHAB CCOc1ccc(C(=O)NCc2ccccc2CN2CCCC2=O)cc1Cl 224726346 VZRNEBZGCFOZDF-UHFFFAOYSA-N 386.879 3.791 0 40 GHAB O=C(CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1)Nc1ccccc1 225496420 GZDVIGHHFCWQOV-RTBURBONSA-N 394.525 3.754 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)CCCC2 225626210 FVMZTYKYOYQMDO-UHFFFAOYSA-N 398.528 3.992 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)Cn1ccc(=O)c2cc(Br)ccc21 225918873 SJODWXQGGHRJAD-ZDUSSCGKSA-N 397.272 3.742 0 40 GHAB Cc1cc2ccccc2n1CCNC(=O)c1ccnc(OCC2CCOCC2)c1 253471853 GFKKKLQGTRGERS-UHFFFAOYSA-N 393.487 3.580 0 40 GHAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(C(=O)OC)cc4)OCC[C@@]31C2 257242507 ICWDKSBQVBFLMQ-ZIVVNCDHSA-N 385.504 3.882 0 40 GHAB Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3nc(C)no3)n2)n1 257288599 PUWPIIDIEROBTN-KRWDZBQOSA-N 392.463 3.516 0 40 GHAB Cc1cc(C)n([C@H](CNC(=O)c2cc3ccccc3oc2=O)c2ccsc2)n1 575612552 BCWXXTJLAQGBDI-GOSISDBHSA-N 393.468 3.687 0 40 GHAB COc1cc(-c2noc([C@@H]3CCO[C@H]3c3ccnn3C)n2)ccc1OC(C)C 585083992 MWMPQUSIZRUVOF-RDTXWAMCSA-N 384.436 3.511 0 40 GHAB CC(C)[C@@H]1N(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)CC12CC=CC2 585089042 PYVGZYPGYSQGOY-NRFANRHFSA-N 395.547 3.925 0 40 GHAB CCOCCOc1ccc(CN2CCC(O)(COc3ccc(C)cc3)CC2)cc1 585270751 AWYIJHDYPKVPRL-UHFFFAOYSA-N 399.531 3.816 0 40 GHAB CO[C@H]1CCC[C@@H](CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(Cl)cc3)C2)C1 668286066 YVDGUUTZECRCJY-XFKAJCMBSA-N 379.884 3.562 0 40 GHAB Cc1cccc(OC[C@H]2CCCN(C(=O)c3cc(-c4ccccc4)nn3C)C2)n1 1775969531 BAPBJEYNGXIHCO-SFHVURJKSA-N 390.487 3.722 0 40 GHAB CC(=O)N(C(C)=O)c1ccc(-c2ccc(N(C(C)=O)C(C)=O)c(C)c2)cc1C 832900 JEMXAEORVQNQMR-UHFFFAOYSA-N 380.444 3.769 0 40 GHAB CCn1c(SCC(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CCC3 924246 SETFVCRTXXGPFV-UHFFFAOYSA-N 391.562 3.508 0 40 GHAB O=S(=O)(Nc1nn(Cc2ccccc2F)cc1Cl)c1ccc(F)cc1 2804110 MRCRBOLYHRRMSQ-UHFFFAOYSA-N 383.807 3.664 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 3017279 FMVATJHFIXJSMI-QGZVFWFLSA-N 380.444 3.635 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)c1nc(-c2cccnc2)nc2ccccc12 3408465 JFOVNJQCUHRYOI-KRWDZBQOSA-N 384.439 3.968 0 40 GHAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc2c1=O 3431550 VEQKVUIMXIIBNF-UHFFFAOYSA-N 394.283 3.971 0 40 GHAB CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)CC)c(Br)c12 4031946 CURGVWZRGCFDRM-UHFFFAOYSA-N 383.194 3.808 0 40 GHAB Cc1ccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3oc4ccccc4c32)cc1 4316101 IPPKRLKJIDZUCK-UHFFFAOYSA-N 386.407 3.907 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 4518013 NTIIJFUHXVJRAU-UHFFFAOYSA-N 376.434 3.605 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 4672791 LWWZGCMAAYHUMA-HOTGVXAUSA-N 390.505 3.548 0 40 GHAB O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(F)cc2)cs1 5190237 DZIDZRWEYKFVQT-UHFFFAOYSA-N 394.424 3.501 0 40 GHAB O=c1c2c3c(sc2ncn1CCOc1cccc(Br)c1)CCC3 5319755 LAICGKQQSTXGSY-UHFFFAOYSA-N 391.290 3.788 0 40 GHAB O=C(Nc1ccc(F)cc1)c1c(O)c2c(n(Cc3ccccc3)c1=O)CCCC2 5522847 VAHFZNMXSLTYPU-UHFFFAOYSA-N 392.430 3.872 0 40 GHAB aggregator O=C(Cc1ccc(Br)cc1)NC[C@@H](c1ccco1)N1CCCC1 5704798 YBSNIAYCPYIURV-INIZCTEOSA-N 377.282 3.538 0 40 GHAB C[C@H](C(=O)N1CCCC1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 6043827 DXCOVXIXSICLHC-ZHRRBRCNSA-N 387.483 3.734 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1 6553279 ZSSNMDMTVJSLSO-UHFFFAOYSA-N 397.460 3.538 0 40 GHAB CCCOc1cccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)c1 6636338 KCCDTAYRVZPHBQ-UHFFFAOYSA-N 392.864 3.954 0 40 GHAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nccn1-c1cccc(C)c1 6657535 SQADCNUOBOFGQT-FQEVSTJZSA-N 393.512 3.589 0 40 GHAB CCn1cc(C(=O)Nc2ccc3nc(C)sc3c2)c(=O)c2ccc(C)nc21 6905512 PPTKEUWOUYSTLS-UHFFFAOYSA-N 378.457 3.895 0 40 GHAB Cc1ccc2c(COC(=O)c3cncc(Br)c3)cc(=O)oc2c1C 6916726 FUMSLUAKCUBKDT-UHFFFAOYSA-N 388.217 3.924 0 40 GHAB COc1ccccc1Nc1nnc(SCC(=O)N[C@@H](C)c2ccco2)s1 7179890 YQANXBGCOWLRIA-NSHDSACASA-N 390.490 3.853 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 7191801 OWQNHEOEVGCJLF-IRXDYDNUSA-N 396.487 3.831 0 40 GHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCc1ccc(F)cc1Cl 7238799 RWWQAHYSCKUNOO-UHFFFAOYSA-N 379.859 3.855 0 40 GHAB C[C@H](O)CCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl 7546058 GCAUNADQCZILIV-HNNXBMFYSA-N 385.895 3.558 0 40 GHAB O=C([C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)c2ccccc2O1)N1CCCCC1 7825362 DFBGEWGQZPEOFM-QFIPXVFZSA-N 390.483 3.596 0 40 GHAB Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2ccc(O)cc2)o1 8133624 HOTSOFLKGCGSIQ-UHFFFAOYSA-N 377.356 3.763 0 40 GHAB CN(C(=O)CSc1nncn1-c1ccccc1)[C@@H]1CCCc2ccccc21 8457587 QKEMHERPQADKIH-LJQANCHMSA-N 378.501 3.895 0 40 GHAB O=C(CCc1ccccc1O)Nc1cccc(-c2nnc3n2CCCCC3)c1 8726643 PPSNCGNYBOSXAB-UHFFFAOYSA-N 376.460 3.948 0 40 GHAB COc1ccc(C(=O)N(C)Cc2cc(Br)ccc2OC)cc1F 9054045 NAEKNMPCUQKBHB-UHFFFAOYSA-N 382.229 3.878 0 40 GHAB Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(Br)cc1 9059993 DFMAJETXDROEPR-UHFFFAOYSA-N 383.249 3.704 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1 9616587 HONDMDFCKRLCMT-UHFFFAOYSA-N 382.460 3.906 0 40 GHAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC1(c2ccccc2)CCC1 10221783 JIOBDCCXGREZJJ-QFIPXVFZSA-N 378.516 3.608 0 40 GHAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10545121 YNUPXGIUAZDTDN-QGZVFWFLSA-N 388.471 3.710 0 40 GHAB Cc1nc(C)n([C@H](C)CC(=O)N[C@@H](Cc2ccsc2)c2ncccc2C)n1 12229471 KKFQEKHKMFTFCO-KDOFPFPSSA-N 383.521 3.711 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1 12291963 VDZIZLXZODOTNC-OAHLLOKOSA-N 382.851 3.734 0 40 GHAB CNc1ncccc1CN1CCC[C@@H](c2cc(O)nc(-c3cccs3)n2)C1 12326626 VHNUXGQUTJGPOA-CQSZACIVSA-N 381.505 3.727 0 40 GHAB Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3c(F)cc(F)cc3s2)on1 12422334 WHNQVXDKMVOXOF-LLVKDONJSA-N 379.388 3.697 0 40 GHAB O=C(NCc1ccc(-c2nn3cnnc3s2)cc1)c1cc2ccccc2o1 12651724 UOZWLGUAPHFTCW-UHFFFAOYSA-N 375.413 3.529 0 40 GHAB O=C(CCSc1nncn1CCc1cccs1)Nc1ccccc1F 12906909 MCFVYXXCZUDXBC-UHFFFAOYSA-N 376.482 3.842 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1SCc1cscn1 12972829 SXXCVOQNPZVLRS-UHFFFAOYSA-N 382.470 3.857 0 40 GHAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)NCc1ccccc1 14123377 PAMUSIPXYHJDHF-UHFFFAOYSA-N 396.516 3.594 0 40 GHAB Cc1noc(C)c1S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 14190052 MDAUMFUNZXUGEL-HNNXBMFYSA-N 380.516 3.751 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 14229996 BUQFCGJBRBZGRC-OAHLLOKOSA-N 381.906 3.710 0 40 GHAB CCOc1ccccc1-c1nc(CC(=O)NCCOc2ccccc2)cs1 14777805 NEVGXQSFUNTNIY-UHFFFAOYSA-N 382.485 3.947 0 40 GHAB CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 16343956 UCQYLJNEDDBZTE-HXUWFJFHSA-N 398.478 3.783 0 40 GHAB COc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(C)cc2)CC1 16846839 KNUNPLWUAIAGMV-UHFFFAOYSA-N 376.460 3.802 0 40 GHAB Cc1cc(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)on1 19119723 BOMRZBZUWXQOOC-UHFFFAOYSA-N 394.353 3.866 0 40 GHAB O=C(CCCc1nc(-c2ccccn2)no1)N1CCC[C@H](Cc2ccccc2)C1 19370554 VGXNMGMSGQMHSO-LJQANCHMSA-N 390.487 3.936 0 40 GHAB CC(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3Cc3ccc(F)cc3)c2)CC1 19698128 BKKUNJJSOZZAOM-HSZRJFAPSA-N 396.510 3.535 0 40 GHAB Cc1nonc1COc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 19714270 FAJTVYXCGFZJKD-KRWDZBQOSA-N 393.443 3.989 0 40 GHAB O=c1[nH]c(SCCOc2ccc(Cl)cc2)nc(O)c1Cc1ccccc1 19814953 UTLUXHVCMQKYJU-UHFFFAOYSA-N 388.876 3.891 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)c1 19934516 RCGQBHGVDJZESP-HNNXBMFYSA-N 394.924 3.600 0 40 GHAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccc(F)cc2)cc1 20739251 DRACRVLUHDVJDP-KRWDZBQOSA-N 380.379 3.869 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 21589041 UGPFXYLKFCXRQV-UHFFFAOYSA-N 380.444 3.628 0 40 GHAB COc1ccccc1OCC(=O)Nc1cc(C)nn1-c1nc2ccccc2s1 21684391 CAHBPJIWRDFOQI-UHFFFAOYSA-N 394.456 3.817 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)CCc1ncc(-c2ccccc2F)o1 22276580 XOVWXHVULGQBFR-UHFFFAOYSA-N 381.451 3.791 0 40 GHAB COc1ccc([C@@H](CC(=O)OCc2nc3ccccc3s2)NC(C)=O)cc1 23037912 WXBBZYITNQTFSB-QGZVFWFLSA-N 384.457 3.616 0 40 GHAB COc1cccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 23731549 GKZFSPDSFQKXQM-UHFFFAOYSA-N 393.409 3.642 0 40 GHAB CCOc1ccccc1-c1nc(CC(=O)NCc2cn3ccccc3n2)cs1 23754737 STJIUODKJWATQU-UHFFFAOYSA-N 392.484 3.715 0 40 GHAB COc1cccc2cc(C(=O)N(C)CCOc3cc(C)cc(C)c3)c(=O)oc12 24390456 YQZMOMDNEPTAEL-UHFFFAOYSA-N 381.428 3.569 0 40 GHAB Cc1cc(=O)n2nc(CN3CCc4sccc4[C@@H]3c3ccccc3)sc2n1 24945862 GTDZKBGNXGFMBZ-IBGZPJMESA-N 394.525 3.669 0 40 GHAB Cc1ccc(-c2nnn(CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)n2)cc1 31648301 HUKDCNLJNGVDSU-UHFFFAOYSA-N 394.435 3.550 0 40 GHAB O=C1Nc2ccccc2[C@@]12CC(O)=Nc1c2cnn1-c1nc2ccccc2s1 32104452 IEPZGEATTPETOS-HXUWFJFHSA-N 387.424 3.712 0 40 GHAB O=C(/N=c1\[nH]c2ccccc2n1CCN1CCCCC1)Nc1cccc(F)c1 32611511 KMQUCWPIVXKKBR-UHFFFAOYSA-N 381.455 3.727 0 40 GHAB CCCCn1c(SCc2csc(COc3ccc(F)cc3)n2)n[nH]c1=O 32776158 OOSHMAZJDQPYQA-UHFFFAOYSA-N 394.497 3.838 0 40 GHAB CCOC(=O)c1c(C)oc2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc12 32777874 CBJCTOREVMBWCU-UHFFFAOYSA-N 397.383 3.664 0 40 GHAB CC[C@H](C(=O)N[C@@H]1CCOc2ccccc21)n1nnc(-c2ccc(Cl)cc2)n1 32808714 INJUJKFPAGJZQY-IAGOWNOFSA-N 397.866 3.585 0 40 GHAB Cc1noc(CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)n1 32895119 YTWVLCFXGAQOQK-UHFFFAOYSA-N 388.836 3.675 0 40 GHAB O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1ccc(OCC(F)(F)F)cc1 32902526 ZPIOSKNPUYIGBW-UHFFFAOYSA-N 394.349 3.530 0 40 GHAB Cc1cc(NC(=O)Cc2c(C)noc2C)n(-c2cccc(Br)c2)n1 33176508 CITRVQNVNFBCFB-UHFFFAOYSA-N 389.253 3.729 0 40 GHAB COc1ccc(-c2cc(C(=O)NCCc3cn(C)c4ccc(F)cc34)no2)cc1 35316773 SOBFGIUFUAPSAG-UHFFFAOYSA-N 393.418 3.954 0 40 GHAB CC(=O)N1CCC(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 40009656 WFXIYBLBEWWFTE-UHFFFAOYSA-N 377.897 3.513 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)nc1 40086539 LLRPIGUVTCNWAV-HNNXBMFYSA-N 378.259 3.940 0 40 GHAB CC(C)N(CCCNC(=O)c1ccc(C2CCCCC2)cc1)S(C)(=O)=O 40108586 UTFLIMBGUHPOAW-UHFFFAOYSA-N 380.554 3.524 0 40 GHAB Cc1nc(-c2ccco2)nc2sc(C(=O)NC[C@H](C3CC3)N(C)C)c(C)c12 40152088 IWKIXQZKRZVGDN-CQSZACIVSA-N 384.505 3.638 0 40 GHAB COc1cc(CN(C)C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)ccc1O 44142144 IGGVLWUOEGVFSY-UHFFFAOYSA-N 397.475 3.609 0 40 GHAB CCOC(=O)N1CCN(C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 44774493 HJVHZVJXARKWBY-CVEARBPZSA-N 399.516 3.647 0 40 GHAB C[C@H](CNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCc2ccccc2C1 45866568 GCPICPLBEMZIJD-FHLIZLRMSA-N 383.458 3.854 0 40 GHAB CC(C)Oc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1Cl 46221939 MSWUKINTRBOLMP-UHFFFAOYSA-N 385.851 3.555 0 40 GHAB COC(=O)CN(Cc1ccccc1)C(=O)Cc1csc(-c2ccsc2)n1 47406994 SAHIYOFIQYHWCB-UHFFFAOYSA-N 386.498 3.616 0 40 GHAB O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N(Cc1ccncc1)C1CC1 47840526 HYTVWWGATYVCCR-UHFFFAOYSA-N 385.773 3.876 0 40 GHAB COc1ccc2c(c1)S[C@H](CC(=O)Nc1ccc(OC)c(OC)c1)C(O)=N2 49551873 RTQBLBWQXKHACH-QGZVFWFLSA-N 388.445 3.804 0 40 GHAB O=C(NCc1ccc(F)cc1Cl)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416496 MFXLAYBDJZBVRI-LLVKDONJSA-N 399.224 3.941 0 40 GHAB COC(=O)C[C@H]1CCCCN1Cn1nc2c(Cl)cc(Cl)cn2c1=S 57995707 ITIORVZRUQXVEO-LLVKDONJSA-N 389.308 3.547 0 40 GHAB CCN(Cc1ccc(O)cc1)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 58198244 VJMOVTSHBZMIST-UHFFFAOYSA-N 398.503 3.681 0 40 GHAB COc1ccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccccc4F)c32)cc1O 61720687 KLCWJLADNMBSGY-GFCCVEGCSA-N 396.374 3.503 0 40 GHAB Cc1nnc2c(SCC(=O)Nc3cccc(Cl)c3)nc3ccccc3n12 64948968 VZXNRYRSSMQQMP-UHFFFAOYSA-N 383.864 3.970 0 40 GHAB CCN(CC)[C@H](CNC(=O)Nc1ccc(-c2nncn2C)cc1)c1ccsc1 69659433 NHLNBPAVBDRLOL-GOSISDBHSA-N 398.536 3.748 0 40 GHAB O=S(=O)(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(F)cc1Cl 71849026 TYFJTMSWSMBNGJ-AWEZNQCLSA-N 388.917 3.656 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)nc2)cc1 72211562 OSASCDABGQRYID-OAHLLOKOSA-N 381.295 3.678 0 40 GHAB Nc1nc2c(N3CCN(C(=O)c4ccccc4F)CC3)c(Cl)ccc2s1 72230209 BULIRGIVPZLBDQ-UHFFFAOYSA-N 390.871 3.633 0 40 GHAB COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CC4)C=C3C)nc2n1 72320889 XOBWVHABUIEQAY-BZSNNMDCSA-N 396.535 3.890 0 40 GHAB biogenic,in-vitro CN(CC(=O)NCc1nc2ccccc2[nH]1)c1nc2c(Cl)cccc2s1 77196728 QUHGBIVNYQKDII-UHFFFAOYSA-N 385.880 3.579 0 40 GHAB COCCCn1ccc(NC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)n1 78975266 JLHXSBCXSMNUMB-UHFFFAOYSA-N 396.495 3.932 0 40 GHAB O=S(=O)(Nc1ccc2cccc(Br)c2n1)c1cccc(F)c1 79096091 LASDVJXLOWXPOZ-UHFFFAOYSA-N 381.226 3.937 0 40 GHAB COc1cccc(-c2nc(CC(=O)N3CCO[C@H](c4ccccc4)C3)cs2)c1 79473803 CKCOIZWRBLVBGN-FQEVSTJZSA-N 394.496 3.961 0 40 GHAB O=C(C[C@H]1OCCc2ccsc21)N1C[C@H](n2cccn2)Cc2ccccc21 89857880 RJKGMIVUNXAMHC-IEBWSBKVSA-N 379.485 3.779 0 40 GHAB O=C(NCCCc1ccccc1)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 90590768 SSUWBCUPZBQZEQ-CQSZACIVSA-N 382.386 3.610 0 40 GHAB COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)/C=C/c1cccc(OC)c1OC(F)F 95444467 DGMWXQHMYCHLSM-YZLKHBLASA-N 397.418 3.548 0 40 GHAB O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H](c1ccccc1)C1CC1 95451797 FQNBYNQCWUKTSQ-MJGOQNOKSA-N 393.405 3.755 0 40 GHAB O=C1OCCN1c1cccc(CNCc2csc(COc3ccccc3)n2)c1 95959239 RXLCMIMPHHXIAN-UHFFFAOYSA-N 395.484 3.969 0 40 GHAB CCCN(CCC)C(=O)CCC(=O)N[C@]1(C(F)(F)F)CCc2ccccc21 96005884 QRQUCHQFBOHZCN-LJQANCHMSA-N 384.442 3.935 0 40 GHAB O=C(c1ccc2[nH]ccc2c1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98212490 JFESJGUCTHQGLC-UHFFFAOYSA-N 377.473 3.582 0 40 GHAB Cc1ccc([C@@H]2N=C(Nc3ccccc3Cl)Nc3nc(C)cc(=O)n32)cc1 100134375 LLJPOKPAWWZDIN-GOSISDBHSA-N 379.851 3.954 0 40 GHAB CC(C)Cc1ccc([C@@H](NC(=O)NCc2nnc3ccccn23)C2CC2)cc1 101773913 JEOGNFALOQRXAL-OAQYLSRUSA-N 377.492 3.878 0 40 GHAB COc1cccc(CCCNC(=O)COc2ccc(Br)cc2)c1 218816087 QPVSWJFIEJCVSN-UHFFFAOYSA-N 378.266 3.586 0 40 GHAB CC[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(S(C)(=O)=O)cc1 218941819 VKZFVZMXQICMAM-SFHVURJKSA-N 395.908 3.698 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1 223995498 OZUYLYJKSFUSFR-UXHICEINSA-N 391.500 3.854 0 40 GHAB COc1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)cn1 224017605 FTXSVGUNJPRTIY-UHFFFAOYSA-N 391.924 3.778 0 40 GHAB CC[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 224309095 VTCAGBQFRHYMMZ-MRXNPFEDSA-N 386.533 3.701 0 40 GHAB COC(=O)c1cccc(NC(=O)c2ccc(C)cc2I)c1 225023562 LRUVSIHDBNCTOK-UHFFFAOYSA-N 395.196 3.639 0 40 GHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3c(c2)OCO3)cc1 225072690 ZKOLKIJPTQKLMG-PDGQHHTCSA-N 390.395 3.726 0 40 GHAB Cc1ccc(C)c(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225695741 SFVUKMYMYIIGJX-HXUWFJFHSA-N 380.532 3.830 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1-c1ccc(C(=O)O)o1 226353311 NABBOUAACAHKMN-UHFFFAOYSA-N 375.377 3.893 0 40 GHAB COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OC 242940890 HBJRZFAPGTWNHD-UHFFFAOYSA-N 382.460 3.503 0 40 GHAB CCc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 260762156 GTEVPJMYJVFXFN-IRXDYDNUSA-N 388.533 3.589 0 40 GHAB CCCCC(C)(C)[C@@H](O)/C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 299888607 QAOBBBBDJSWHMU-QVNFFLATSA-N 380.525 3.887 0 40 GHAB O=C(c1ccsc1)N1CC[C@@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306125640 CWROEVUDBAFUKK-HXUWFJFHSA-N 383.448 3.566 0 40 GHAB Cc1cc(C(=O)N2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c(C)o1 306125897 DFCFPHMZNNZSJM-SFHVURJKSA-N 387.443 3.631 0 40 GHAB CCCNS(=O)(=O)c1ccc(CCC(=O)NC2CCCCCCC2)cc1 408584552 RGRRFOOMUYYLTN-UHFFFAOYSA-N 380.554 3.537 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc3ccccc23)cc1 408596889 TYMNCTNQUWSGGB-OAHLLOKOSA-N 398.484 3.544 0 40 GHAB CCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1OCC 408714285 NAYQGXIJLKSDFY-UHFFFAOYSA-N 381.432 3.806 0 40 GHAB CC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)o2)cc1 524733374 MJMRWEWZASVZHF-INIZCTEOSA-N 377.396 3.597 0 40 GHAB COc1ccc2c(c1)OCCN([C@H](C)c1nc(Cc3ccc(F)cc3)no1)C2 585080516 CWJGPFNEHWLYKD-CQSZACIVSA-N 383.423 3.764 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NCCn2nc(C3CC3)cc2C2CC2)c1C 585300249 QUGIOHRUXYXFDB-UHFFFAOYSA-N 387.549 3.850 0 40 GHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CCc2cc(F)ccc21)CC3 596752268 HXMPEHUTYGMRHZ-KRWDZBQOSA-N 392.430 3.708 0 40 GHAB COC(=O)[C@@H]1CN(C(=O)Nc2ccc(Br)cc2)Cc2ccccc21 1202333306 MAELZDKFUTZHSL-MRXNPFEDSA-N 389.249 3.753 0 40 GHAB CC[C@H](C)[C@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C)n1cnnn1 1615155187 VJVHJJHLVXOHJM-KFKAGJAMSA-N 395.511 3.555 0 40 GHAB CS(=O)(=O)c1ccc(CCC(=O)NCc2cc(-c3ccco3)cs2)cc1 1888962452 CHVZBHSNYLYAEE-UHFFFAOYSA-N 389.498 3.661 0 40 GHAB O=C(Cc1cccc(Cl)c1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909323 STVWAHLBXHEOSS-OAQYLSRUSA-N 391.870 3.844 0 40 GHAB C[C@H](CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2049238357 KFMBVCVREUOCAU-BFOWYYSKSA-N 376.537 3.864 0 40 GHAB Fc1cc(F)c2nc(N3CC[C@@H](COc4ccc5nccn5n4)C3)sc2c1 2087067160 BZZLUBGPMCOOFQ-LLVKDONJSA-N 387.415 3.523 0 40 GHAB CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)Nc2ncnn21 645523 WWXPKJNQHUGIST-LJQANCHMSA-N 393.422 3.744 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC(C)C)ccc2Cl)cc1 683288 YXYCEMIPIKPXKZ-UHFFFAOYSA-N 380.897 3.835 0 40 GHAB c1ccc(-n2nnnc2-c2cnc(-c3cccnc3)nc2-c2cccs2)cc1 721434 BYEVSHKAMLDJTH-UHFFFAOYSA-N 383.440 3.910 0 40 GHAB CCc1ccc2c(c1)c1nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nc1n2C 1366169 XXYINPRZQUYFMZ-OKILXGFUSA-N 397.548 3.961 0 40 GHAB COc1cccc(C2=N/C(=C/c3cc(Br)ccc3OC)C(=O)O2)c1 1508889 CKJLQCCPBRQJCY-XNTDXEJSSA-N 388.217 3.811 0 40 GHAB CN(C)c1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)cc1 1924284 CYRHDKQDDJOMOY-UHFFFAOYSA-N 377.473 3.679 0 40 GHAB CC1(C)CC(NC(=O)c2cc3nccc(-c4ccc(F)cc4)n3n2)CC(C)(C)N1 2793143 UETCZMYOEIIYPW-UHFFFAOYSA-N 395.482 3.574 0 40 GHAB CC(C)CCn1c(SCC(=O)NC2CCCC2)nc2ccsc2c1=O 2925087 VQJJRGATKZIAMQ-UHFFFAOYSA-N 379.551 3.655 0 40 GHAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccccc1I 3206358 MRMGAGZSODHQLL-UHFFFAOYSA-N 381.169 3.550 0 40 GHAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)O 3266106 NOOHVTMKDANSCX-MRXNPFEDSA-N 397.880 3.910 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl 3367338 SBIRNVLUGPMSQT-RKDXNWHRSA-N 379.671 3.988 0 40 GHAB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1CCc1ccc(F)cc1 3403872 AWHICNWWQSBBNE-UHFFFAOYSA-N 394.446 3.847 0 40 GHAB O=C(OCc1cc(=O)n2ccsc2n1)c1cccc(Oc2ccccc2)c1 3537766 RDJCHZOBBYNPHA-UHFFFAOYSA-N 378.409 3.905 0 40 GHAB CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(C(C)C)cc1 3653842 LXIREZYQRKAQBV-UHFFFAOYSA-N 391.470 3.720 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nc2ccccc21 4289566 BGKKTJCAFRGDAJ-UHFFFAOYSA-N 396.516 3.624 0 40 GHAB O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)N1CCCC1 4356340 BXDQBVKNUYQIJT-UHFFFAOYSA-N 378.295 3.621 0 40 GHAB Cc1sc2nc(CS[C@@H](C)C(=O)N(C)c3ccccc3)[nH]c(=O)c2c1C 4491660 BCHMYDOIUSQWDK-ZDUSSCGKSA-N 387.530 3.886 0 40 GHAB O=C(Oc1ccc(Cl)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4544932 JPKVJNSOXIOVQU-SLDRDFCHSA-N 393.826 3.871 0 40 GHAB CC(C)[C@H](OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccc(F)cc1 4967027 HQRHALRWGMEPAM-SFHVURJKSA-N 388.464 3.877 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)c1ccc(Cl)nc1 4986461 YWWRNDXCUOZSIM-ZDUSSCGKSA-N 391.924 3.886 0 40 GHAB Cc1nc(NCCNC(=O)NC2CCCCC2)c2c3c(sc2n1)CCCC3 6234699 AICLAUQAUYXICQ-UHFFFAOYSA-N 387.553 3.922 0 40 GHAB COc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1Br 6275164 PDJUMGUJYIJAHM-UHFFFAOYSA-N 383.242 3.724 0 40 GHAB O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2cccnc2)cs1 6548240 RTIKKGVXSMCQFB-UHFFFAOYSA-N 386.864 3.617 0 40 GHAB CCCCc1ccc(NC(=O)COC(=O)/C(=C\c2ccccc2)NC(C)=O)cc1 6559031 NLBXHUMTQBIVMK-RCCKNPSSSA-N 394.471 3.688 0 40 GHAB COc1cc(-c2noc(-c3cc4ccccc4oc3=O)n2)cc(OC)c1OC 6868044 WIHDBBAWDISAIG-UHFFFAOYSA-N 380.356 3.536 0 40 GHAB CCCc1nnc(S/C(=C\c2ccc(OCC)c(OCC)c2)C(=O)O)[nH]1 7342285 DAWKANVMBHJYGI-PTNGSMBKSA-N 377.466 3.772 0 40 GHAB O=C(Nc1ccccc1OC(F)F)c1ccc(S(=O)(=O)C(F)F)cc1 7407121 WSAKRKCIBROFGB-UHFFFAOYSA-N 377.315 3.537 0 40 GHAB O=S(=O)(NCCSCc1cccs1)c1ccc(Br)cc1 7700213 IZHRZDDTARBXRN-UHFFFAOYSA-N 392.365 3.722 0 40 GHAB COc1ccc(C(=O)NCCn2c(C)nc3ccccc32)cc1Br 8135880 ZVHCCSGAJHSQGB-UHFFFAOYSA-N 388.265 3.546 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C)o1 8610057 YKWRAXSUNDYLQM-GOSISDBHSA-N 379.420 3.506 0 40 GHAB CCN1C(=O)c2cccc3c(S(=O)(=O)N(C)Cc4ccccc4)ccc1c23 8715472 WAKFWRNTBOZQLK-UHFFFAOYSA-N 380.469 3.641 0 40 GHAB COC(=O)c1ccc(NC(=O)Cc2csc(-c3cccc(OC)c3)n2)cc1 8734534 SVIQBSBYVGLJGC-UHFFFAOYSA-N 382.441 3.787 0 40 GHAB Cc1csc(=O)n1CCSc1nnc(-c2ccccc2Br)o1 8883761 PRWAWFJYJWKMSU-UHFFFAOYSA-N 398.307 3.823 0 40 GHAB CCCn1cc(C(=O)c2cc(F)ccc2O)cc1-c1nc2ccsc2c(=O)[nH]1 9458411 VXEAFJIJYQNIAT-UHFFFAOYSA-N 397.431 3.939 0 40 GHAB CCOc1ccc([C@H](C)NS(=O)(=O)Cc2cccc(C)c2)cc1OCC 10543995 WUPANPCQZYELDW-INIZCTEOSA-N 377.506 3.973 0 40 GHAB CCn1c(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc21 10651692 HWSDAFXRZWZZAR-UHFFFAOYSA-N 394.519 3.717 0 40 GHAB COc1cc(C)c(NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)cc1OC 11249851 CYZUUKPRLLYODZ-GOSISDBHSA-N 392.459 3.563 0 40 GHAB CCn1nccc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1 11696009 WGARBNNPQBFNLR-LBPRGKRZSA-N 390.896 3.992 0 40 GHAB COc1ccc2nc(NC(=O)C[C@H](NC(C)=O)c3ccc(C)cc3)sc2c1 11807046 MXCRDBKVUKWZIY-KRWDZBQOSA-N 383.473 3.819 0 40 GHAB CC(C)CCNC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C 11828915 QBQFKGBMPJOOQL-UHFFFAOYSA-N 375.538 3.697 0 40 GHAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C3CC3)CC1)N2 12181519 MBAHFTYILJRTKE-LSDHHAIUSA-N 380.483 3.820 0 40 GHAB O=C(C[C@@H]1CSc2nccc(=O)n21)Nc1ccc(Nc2ccccc2)cc1 12236341 HYJPVCDDPMHGJG-QGZVFWFLSA-N 378.457 3.663 0 40 GHAB COC(=O)c1ccc(NC(=O)c2cnc3c(C(F)(F)F)cccc3c2O)cc1 12421844 NVQSOGAEQVJXAO-UHFFFAOYSA-N 390.317 3.998 0 40 GHAB Cc1cnc(C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)cn1 12750474 SHGHVEQEEMGFBA-OAHLLOKOSA-N 379.460 3.585 0 40 GHAB Cc1nc(COc2ccccc2C(=O)Nc2nc3ccc(F)cc3s2)no1 12777585 VMQCIXFHNOJJTR-UHFFFAOYSA-N 384.392 3.958 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc3c(c2)OCO3)cc1OC 12901152 QVBVIKMXIYVTKH-KRWDZBQOSA-N 383.444 3.729 0 40 GHAB CC(C)n1ncc2cc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cnc21 13019272 QXIHFJBQKOZZNJ-IBGZPJMESA-N 380.448 3.822 0 40 GHAB O=C(Nc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1 13022414 NBLNMKBAXHTKFD-KRWDZBQOSA-N 392.377 3.871 0 40 GHAB CCOC(=O)[C@@H](C)Sc1nnc(-c2ccccc2O)n1-c1ccc(C)cc1 13123828 OZZBOUWJCBWIFV-CQSZACIVSA-N 383.473 3.992 0 40 GHAB COc1cc(OC)c2c(C)c(CC(=O)Nc3cccc(C(C)=O)c3)c(=O)oc2c1 13575822 JNJSNYVNCUCBDC-UHFFFAOYSA-N 395.411 3.502 0 40 GHAB CCOc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)cc1 14086067 IOGJAPAGAJPRCD-OAHLLOKOSA-N 396.516 3.850 0 40 GHAB CCN(CC)C(=O)C(=O)c1cn(CCOc2ccccc2OC)c2ccccc12 14136068 XMJNMPJWOFKRQZ-UHFFFAOYSA-N 394.471 3.780 0 40 GHAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Oc3c(F)c(F)cc(F)c3F)ccc21 14199338 YPMZAMBXBVGWTG-VIFPVBQESA-N 381.325 3.802 0 40 GHAB COc1ccccc1-n1nnnc1S[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 14242305 HLUWJNUOIIRWTJ-CYBMUJFWSA-N 393.472 3.824 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1coc2c(C)c(C)ccc12 14865119 NEWOWGSXTMXBQD-UHFFFAOYSA-N 396.462 3.896 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2ccccc2C)c1 15436598 HDSVLZRYXWDMPW-UHFFFAOYSA-N 392.546 3.756 0 40 GHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C)cc2)c2ccco2)cc1 15781201 KLWFTSYONWGFPK-FQEVSTJZSA-N 399.468 3.542 0 40 GHAB Cc1ccc2oc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CCN(C)C5)C3)cc2c1 19221303 YLOADJWRNDPFKS-MRXNPFEDSA-N 390.487 3.539 0 40 GHAB CCn1c(=O)n(CC)c2cc(C(=O)N[C@H](C)c3nc4ccccc4s3)ccc21 19524234 BYVIQXLNOURFHB-CYBMUJFWSA-N 394.500 3.944 0 40 GHAB COc1ccc(-c2nc(NC(=O)COc3ccc4c(c3)OCO4)sc2C)cc1 19555573 NBHLPPUBNWDYQQ-UHFFFAOYSA-N 398.440 3.873 0 40 GHAB Cc1noc2nc([C@@H]3CCCN(C(=O)c4cccnc4)C3)cc(C(F)(F)F)c12 19564160 CGYSVEOWYDJWIL-CYBMUJFWSA-N 390.365 3.965 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc21 19936773 DNMSMRVIARTTET-UHFFFAOYSA-N 387.244 3.722 0 40 GHAB O[C@@H](COCc1ccccc1)CN1CCN(Cc2csc3ccccc23)CC1 22932013 NTGAZQKHAKIKRJ-OAQYLSRUSA-N 396.556 3.597 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1 24992168 JOWVCFXDOKVDNN-UHFFFAOYSA-N 391.342 3.770 0 40 GHAB Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1 26957147 QCDNGRLUPRTXRE-UHFFFAOYSA-N 390.531 3.809 0 40 GHAB COc1ccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c(OC)c1 27018254 YIBLOAWXTNFVEQ-FQEVSTJZSA-N 396.468 3.816 0 40 GHAB Cc1cc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccc3c(c2)OCCO3)no1 27354746 AUXYPAFSEYDJAT-NRFANRHFSA-N 393.443 3.566 0 40 GHAB O=C1CCC(=O)N1CCSc1nc2ccccc2n1CCc1ccccc1 31441510 RTYMJHMBBFDIFP-UHFFFAOYSA-N 379.485 3.520 0 40 GHAB O=C1Nc2ccccc2CC[C@@H]1Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3 32091647 PGIQEKHJIRAOLB-HNNXBMFYSA-N 397.525 3.909 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)c3ccc(-n4cncn4)cc3)ccc2s1 32824920 FIRPGOVEXZLDRI-UHFFFAOYSA-N 392.440 3.911 0 40 GHAB O=C1COc2ccc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)cc2N1 36075203 QYXXHIICENPDGM-UHFFFAOYSA-N 382.347 3.581 0 40 GHAB CCOC(=O)c1sc2ncn([C@H]3CCc4ccccc4N=C3O)c(=O)c2c1C 36359386 WIJVMLKXVIZMSB-AWEZNQCLSA-N 397.456 3.719 0 40 GHAB Cc1ccnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1 40086545 DWPHYGFUHMMAAM-HNNXBMFYSA-N 378.259 3.940 0 40 GHAB CCc1cccc(CC)c1NC(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(F)c1 42331940 QEPSKELPFISYQP-OAHLLOKOSA-N 385.483 3.848 0 40 GHAB COc1ccc(C(=O)Cn2nc(-c3ccc(SC)cc3)ccc2=O)cc1OC 44903288 CAVDMEWJJFYVJN-UHFFFAOYSA-N 396.468 3.532 0 40 GHAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3F)c2c1=O 48989553 UYCRRUWMXCDPCH-UHFFFAOYSA-N 390.418 3.663 0 40 GHAB CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccc(F)cc1 49007725 BRHZQBFAYXRQDI-UHFFFAOYSA-N 398.463 3.869 0 40 GHAB COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCOCC2)cc1Cl 57181399 MGVDVNPRVINJGA-UHFFFAOYSA-N 389.835 3.764 0 40 GHAB C[C@H]1C[C@@H](Sc2nnc(Cc3cccs3)n2CCc2ccccc2)C(=O)O1 57709762 VHTAWNVRRZUTPW-WMLDXEAASA-N 399.541 3.969 0 40 GHAB O[C@@H](COCc1ccc(Cl)cc1)CSc1nc(-c2ccccc2)n[nH]1 58061463 UVYFXGDPHFQUAU-INIZCTEOSA-N 375.881 3.795 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)NC3CCN(CC4CCCCC4)CC3)CC2=O)cc1 60167554 KVZGEWKXQVXULN-HXUWFJFHSA-N 397.563 3.509 0 40 GHAB CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)NC4CCCCC4)c3)c2)n1 65250989 JYHWFXYVZUOELQ-UHFFFAOYSA-N 394.479 3.677 0 40 GHAB Cc1c(C(=O)N2CCC[C@H]2C2CCCC2)nnn1-c1ccc2ncccc2c1 66765444 SGQSRRSTXOMEHM-FQEVSTJZSA-N 375.476 3.919 0 40 GHAB CCOc1cccc([C@H](C)NC(=O)NCc2ccccc2Cn2ccnc2)c1 68842608 REONIVSWUZOZQU-KRWDZBQOSA-N 378.476 3.891 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)cc1C(=O)O 71798576 YMMSXYSVBNDFRJ-UHFFFAOYSA-N 382.869 3.522 0 40 GHAB C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@H](c2nc[nH]n2)C1 72313891 NUONCDWWIZHTIW-AAEUAGOBSA-N 392.385 3.814 0 40 GHAB CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1)C1CCCCC1 72327020 VBWMVTDZCYQMLK-ZYFHCTRVSA-N 381.520 3.766 0 40 GHAB CCCC(=O)N1CCN(CCC)C(=O)[C@H]1Cc1ccc(-c2ccncc2)cc1 72351848 YSAYWCCOSAMXTK-OAQYLSRUSA-N 379.504 3.541 0 40 GHAB O=C(NCc1ccccc1)c1ccccc1OCc1ccc(-n2ccnc2)nc1 79020937 SVCJPGZRMVKDAW-UHFFFAOYSA-N 384.439 3.776 0 40 GHAB CC(C)n1cc(CC(=O)N2CCN(CCc3ccncc3)CC2)c2ccccc21 79502077 IEMZNDFTLKXCGF-UHFFFAOYSA-N 390.531 3.547 0 40 GHAB COC(=O)c1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)nc1C 84064490 HMLZOCNOXFEXAK-QWRGUYRKSA-N 384.379 3.999 0 40 GHAB CCC(=O)Nc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1 95350882 XWQLAXAUASMLAM-FQEVSTJZSA-N 381.457 3.603 0 40 GHAB CCCCC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccc(OC)cc2)C1 95998765 ISVWJPJJKUYHPE-INIZCTEOSA-N 384.480 3.567 0 40 GHAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(c2ccnc(C3CC3)n2)C1)c1ccccc1 95999545 IXEMQKJPGMRASR-QGZVFWFLSA-N 388.475 3.713 0 40 GHAB Cc1ccc(C)c(N(Cc2ccc(C(=O)NC(C)(C)C)cc2)S(C)(=O)=O)c1 113966200 AQGIMGKQRLYRBB-UHFFFAOYSA-N 388.533 3.798 0 40 GHAB COc1ccc(S(=O)(=O)N2CCS[C@H](c3ccccc3)CC2)cc1F 208044953 PJVIHZMZEKDRKS-SFHVURJKSA-N 381.494 3.703 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222663445 YCVLXMCVRXYWKC-SFHVURJKSA-N 396.531 3.960 0 40 GHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C 223492279 XBHMQZUIVJNHLV-UXHICEINSA-N 377.517 3.605 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 223771939 WXQZRQRFUXLTCW-INIZCTEOSA-N 388.508 3.780 0 40 GHAB CCN(Cc1ccc(C(=O)NC(C)(C)CC)cc1)S(=O)(=O)c1ccccc1 224451520 HERNUMAFBXSKEO-UHFFFAOYSA-N 388.533 3.816 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CCCN(c1cccc(F)c1)S(C)(=O)=O 224799323 GWJVYTSQQSAPHA-MRXNPFEDSA-N 386.533 3.705 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)c(C)c1 225475513 BGHQYLIWDWBVOZ-IBGZPJMESA-N 382.504 3.624 0 40 GHAB CCOc1ccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cc1C 225757915 WXMCDEFWWUSVEB-UHFFFAOYSA-N 388.514 3.996 0 40 GHAB Fc1ccc(CNC(=S)Nc2nc(N3CCCC3)cc(C(F)(F)F)n2)cc1 225949228 GMFYALWZPOCNDL-UHFFFAOYSA-N 399.417 3.721 0 40 GHAB Cc1cccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)oc12 226035848 KKTUSUFOYBLLRU-UXBLZVDNSA-N 388.467 3.573 0 40 GHAB COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)O)c2)cc1Br 226322618 GDAWSTNXVLFUGX-VMPITWQZSA-N 376.206 3.808 0 40 GHAB CCOCC[C@@H]1CCOC12CCN(C(=O)c1cc(OC)ccc1Cl)CC2 247920115 XPEVZSGFBPYTOJ-OAHLLOKOSA-N 381.900 3.787 0 40 GHAB Cc1cnc(CN2CCCC[C@H]2c2cc(C)nc(-c3c(C)noc3C)n2)cn1 257209908 BSJPCZIEBCLOJV-IBGZPJMESA-N 378.480 3.882 0 40 GHAB O=C(NC[C@@H]1CCCOC1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257253618 JZPMRTOMXGIYFE-FQEVSTJZSA-N 394.515 3.631 0 40 GHAB COc1cccc(CN2CCc3nn4ccc(N5CCC(C)CC5)nc4c3C2)c1 306129079 HTWWZIIOJUGGDN-UHFFFAOYSA-N 391.519 3.533 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1ccc(OCC)c(NC(=O)c2ccccc2)c1 408556360 IBXBCGGUWKSVJE-HNNXBMFYSA-N 390.505 3.805 0 40 GHAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1S(=O)(=O)NC(C)C 408701389 XFHBENGUNZHUEL-UHFFFAOYSA-N 390.505 3.587 0 40 GHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408709812 XGUWOARHJFIEJY-INIZCTEOSA-N 387.524 3.630 0 40 GHAB Cc1ccccc1NC(=O)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575612243 KBYLOSPVOMXGBH-AWEZNQCLSA-N 391.269 3.623 0 40 GHAB Cn1nccc1-c1cncc(CNC(=O)c2cccc(OCc3ccccc3)c2)c1 575617227 UTHBFANGPGLMMI-UHFFFAOYSA-N 398.466 3.991 0 40 GHAB COc1ccc2cc(C(=O)NC[C@H](c3cc4ccccc4o3)N(C)C)[nH]c2c1 575621077 NKYQESWCSLNASJ-LJQANCHMSA-N 377.444 3.955 0 40 GHAB CC1(C)[C@@H]2[C@H](CCCN2c2nc3cccc(F)c3s2)[C@H]1NC(=O)C(F)F 585137771 SMPYUZIDUBAVRG-FZQKWOKYSA-N 383.439 3.810 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CC[C@@H](N(C)C)C3)c3cnn(C(C)C)c3n2)cc1 590476878 SUJXEGZJMOLAFN-GOSISDBHSA-N 391.519 3.764 0 40 GHAB COc1cc(C)c(C)cc1NC(=O)N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1 667537646 GOFBBNCYKMCXFS-OXQOHEQNSA-N 384.480 3.570 0 40 GHAB O=C(Nc1ccccn1)c1cccc(NC(=O)C2(C(F)(F)F)CCOCC2)c1 667813997 FPJPLZWDMWFRIV-UHFFFAOYSA-N 393.365 3.632 0 40 GHAB Cc1ccc(Br)cc1CC(=O)Nc1cccc(-n2cnnc2C)c1 1127828855 VGJSXDAHVVYEBG-UHFFFAOYSA-N 385.265 3.828 0 40 GHAB Cc1cccc(OC[C@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)n1 1775970056 ZAKWIMHQFQIHAQ-SFHVURJKSA-N 376.460 3.507 0 40 GHAB CCOc1cc(NC(=O)COc2ccccc2)c(OCC)cc1NC(=O)CC 1223681 OFVWZJVMMCNCTI-UHFFFAOYSA-N 386.448 3.850 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)O 1747370 PUKIGCHCNIOKOQ-IAQYHMDHSA-N 382.243 3.573 0 40 GHAB O[C@@H](CNCCSc1ccc(Br)cc1)COc1ccccc1 2643675 PEFHYJRJNNHLSO-HNNXBMFYSA-N 382.323 3.571 0 40 GHAB COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NC3CC3)n2)cc1 2798859 DXRSFOIKLQEICY-UHFFFAOYSA-N 397.422 3.932 0 40 GHAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3264099 SCXQCNOSHGFWHV-UHFFFAOYSA-N 387.288 3.609 0 40 GHAB Cc1cc(C)n(CCCNC[C@@H](O)COc2ccc(-c3ccccc3)cc2)n1 3380766 RLVUDUXBMUQENY-JOCHJYFZSA-N 379.504 3.587 0 40 GHAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1Br 3506946 FKXZBQJVZUZNKJ-UHFFFAOYSA-N 378.222 3.562 0 40 GHAB COc1cccc(C(=O)OCC(=O)c2ccc(Br)s2)c1OC 3529748 UNASLNXWIAZAQO-UHFFFAOYSA-N 385.235 3.568 0 40 GHAB CCN(CC)CCN(C(=O)C1=COCCO1)c1nc2c(Cl)cccc2s1 4359485 GUQOJVAGJRKQTG-UHFFFAOYSA-N 395.912 3.513 0 40 GHAB Cc1sc2nc(CS[C@H](C)C(=O)N(C)c3ccccc3)[nH]c(=O)c2c1C 4491663 BCHMYDOIUSQWDK-CYBMUJFWSA-N 387.530 3.886 0 40 GHAB O=C(CCCC(=O)Nc1ccc(N2CCCC2)cc1)NCCc1ccccc1 4702646 YLWZLBQIHRSNCO-UHFFFAOYSA-N 379.504 3.755 0 40 GHAB COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N[C@@H]4CCCC[C@@H]4C)ccc32)cc1 5001839 DYKAIVVXFKJHPW-HNAYVOBHSA-N 393.487 3.695 0 40 GHAB COc1ccccc1C(=O)n1nc(-c2ccco2)nc1NCc1cccs1 5002126 XSSLURICEGWFIR-UHFFFAOYSA-N 380.429 3.909 0 40 GHAB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 5250675 REALCDZIQDBPKF-UHFFFAOYSA-N 398.406 3.888 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1ccccc1Cl 5255091 KRBVVJGGPYAREG-UHFFFAOYSA-N 398.846 3.950 0 40 GHAB CCOC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 6046830 NGZGOUKPCLFINB-UHFFFAOYSA-N 392.289 3.752 0 40 GHAB CCOc1cc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)ccc1OC 6163911 QMRXHJFCJKLXRA-UHFFFAOYSA-N 384.384 3.566 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cs2)cc1 6680885 CLXLHLSHYBMKTA-CQSZACIVSA-N 378.519 3.729 0 40 GHAB Cc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)cc1 6752752 XHLRKWBOEQUBRN-AOMKIAJQSA-N 389.455 3.815 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccccc1)S2 6811844 KZYPNKNBSNGJDH-QZTJIDSGSA-N 379.489 3.547 0 40 GHAB Cc1csc(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)n1 6865316 LZUYKSFQNGTVDA-UHFFFAOYSA-N 377.425 3.500 0 40 GHAB CCOC(=O)c1sc2ncn(CC(=O)c3ccc(Cl)s3)c(=O)c2c1C 6916150 DSWCGLGJQILSBG-UHFFFAOYSA-N 396.877 3.541 0 40 GHAB CCOC(=O)c1sc2nc(C)nc(Sc3nnc4ccccn34)c2c1C 7004164 DBPCVDYJVQILJU-UHFFFAOYSA-N 385.474 3.679 0 40 GHAB COc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 7007753 XTIWGTDUEYPLNM-KRWDZBQOSA-N 386.879 3.517 0 40 GHAB C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)N(C)Cc1cccc(F)c1 7047224 AIQGALKNYVGSBU-CJTWTEFWSA-N 392.430 3.977 0 40 GHAB Fc1cccc(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)c1 7097946 JMEWHYNKSZRVIS-UHFFFAOYSA-N 384.480 3.531 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(C2CC2)n1-c1ccccc1 7370890 WYGJNRYFWYBCLO-AWEZNQCLSA-N 396.520 3.614 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)COc2cccc(C(F)(F)F)c2)cc1 7794608 HBBQUEDOXHULHY-CYBMUJFWSA-N 381.350 3.963 0 40 GHAB Cc1nc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)n(CC(C)C)c1C 8136207 JMNPTFJQAFWKGI-HNNXBMFYSA-N 389.521 3.682 0 40 GHAB Cc1sc(NC(=O)COC(=O)c2ccc(C=O)cc2)nc1-c1ccccc1 8332543 KXQYYRFIZSTJJJ-UHFFFAOYSA-N 380.425 3.727 0 40 GHAB COc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc2c1OCCO2 8429301 UJTXXEWIBHUTLO-UHFFFAOYSA-N 383.400 3.760 0 40 GHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2ncccn2)c1 8718976 ZHCQIKONTHJXNN-UHFFFAOYSA-N 378.457 3.768 0 40 GHAB Cc1cccc2cc(CN(CC(C)C)S(=O)(=O)c3ccccc3)c(=O)[nH]c12 9510407 UQSGNMNOLREEEU-UHFFFAOYSA-N 384.501 3.683 0 40 GHAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1ccc2ccccc2c1 9834583 NWVCNMGHDFGRTP-JOCHJYFZSA-N 390.464 3.868 0 40 GHAB COc1ccc(C(=O)C2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)cc1 9902939 GOWLTPYNEYBDDD-UHFFFAOYSA-N 391.471 3.626 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 10039364 KNJDDSUMJXMROE-NSHDSACASA-N 387.288 3.607 0 40 GHAB CCOC(=O)CN(C(=O)CSc1nc2ccccc2n1CC)c1ccccc1 10054568 NLWAQLIGYHAZPM-UHFFFAOYSA-N 397.500 3.745 0 40 GHAB Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)Nc1ccc(F)cc1 12230500 BHZILHCLJODXRF-UHFFFAOYSA-N 384.382 3.653 0 40 GHAB Cn1ccnc1[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1 12507381 DTJKQHIBIQYASV-HXUWFJFHSA-N 388.496 3.992 0 40 GHAB CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccsc1 12522497 OBHKJRMBRHXRHE-UHFFFAOYSA-N 395.550 3.853 0 40 GHAB COc1ccccc1[C@H](C)NCC(=O)Nc1ccnn1Cc1cccc(Cl)c1 12767104 JBFCNPFYXCSFEF-HNNXBMFYSA-N 398.894 3.883 0 40 GHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)/C=C/Sc1ccccc1 12770590 PNBJTXMZJLGABD-MDZDMXLPSA-N 380.391 3.807 0 40 GHAB CCOc1ccccc1OCC(=O)Nc1ccccc1I 12971266 BYFOGOGQBXDRTO-UHFFFAOYSA-N 397.212 3.707 0 40 GHAB CN(Cc1cccc(Cl)c1Cl)C(=O)CCn1cnc2sccc2c1=O 13006171 BZIOUGMCXYZTQB-UHFFFAOYSA-N 396.299 3.814 0 40 GHAB O=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)Nc1ccccc1Cl 13453926 CJYVRHLMTBLPSO-UHFFFAOYSA-N 393.896 3.907 0 40 GHAB COc1ccc2c(C)c(CCC(=O)Nc3ccc4c(c3)OCO4)c(=O)oc2c1C 13575814 LSESJQQDSZNOSQ-UHFFFAOYSA-N 395.411 3.718 0 40 GHAB O=C(c1cn2cc(Cl)ccc2n1)N1CCC(O)(c2ccc(Cl)cc2)CC1 13729399 HTSOACKNIZNMJR-UHFFFAOYSA-N 390.270 3.765 0 40 GHAB Cc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)s2)cc1 13944221 SREUJMNIHVFADB-OAHLLOKOSA-N 378.457 3.619 0 40 GHAB CCc1cc2c(CSc3nnnn3C3CCCCC3)cc(=O)oc2cc1O 16295282 DEQKTCIPTDTRSE-UHFFFAOYSA-N 386.477 3.845 0 40 GHAB O=C(N[C@H](Cc1ccsc1)c1cccnc1)[C@@H]1CSC(c2ccncc2)=N1 19338019 NRRSFCKSSPZGQV-MSOLQXFVSA-N 394.525 3.500 0 40 GHAB COc1ccc(N(Cc2cccnc2)C(=O)c2cccc(Cn3cncn3)c2)cc1 19556232 OYRUPXSSDIRCPN-UHFFFAOYSA-N 399.454 3.577 0 40 GHAB COc1ccc(C(=O)N(C)C2CCC3(CC2)CN(C)Cc2ccccc2O3)cc1 19590863 ATKIXDPVKLFYCH-UHFFFAOYSA-N 394.515 3.973 0 40 GHAB CCOC(CSc1nc(SC)nc2sc3c(c12)CCN(C)C3)OCC 20391686 WPSOKTPICDJXKX-UHFFFAOYSA-N 399.607 3.892 0 40 GHAB CC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN1CCN(C)CC1 22576650 DQVIJOCOLCADKE-HYBUGGRVSA-N 380.532 3.571 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)NC1CCCCCC1 22732383 XXSVIOPSRRXDLB-INIZCTEOSA-N 384.567 3.520 0 40 GHAB CC(=O)N(c1nnc(SCc2noc(-c3ccc(C)cc3)n2)s1)C1CC1 22977489 UQOKEZMXYQFKCI-UHFFFAOYSA-N 387.490 3.704 0 40 GHAB Cc1cccc(/C=C(/C(=O)N2CCN(C(=O)C3CC3)CC2)c2cccs2)c1 25590616 XNKKMAOLUIZGHP-XDJHFCHBSA-N 380.513 3.678 0 40 GHAB O=c1c2sccc2ncn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 25632413 ILQJPCOXLMLDDM-UHFFFAOYSA-N 378.335 3.575 0 40 GHAB CC(=O)N(c1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)s1)C1CC1 25772489 GWXWDPLLGTULMO-SNVBAGLBSA-N 386.502 3.898 0 40 GHAB O=C(C1CCN(C(=O)C2(c3ccccc3)CC2)CC1)N1CCc2ccccc2C1 26896777 BJAPLJNHHLBQPD-UHFFFAOYSA-N 388.511 3.542 0 40 GHAB COc1ccc(-c2nsc(NC(=O)COc3ccc(C)cc3)n2)cc1OC 27662372 HTPKGFKRRSZKAM-UHFFFAOYSA-N 385.445 3.548 0 40 GHAB CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)cc1 27795796 LXISKNZQGLXQCD-UHFFFAOYSA-N 385.445 3.873 0 40 GHAB CCCn1nccc1C(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1 28240742 CCKXQMYNTFHPTH-UHFFFAOYSA-N 377.807 3.571 0 40 GHAB CC(C)c1ccc([C@H](C)NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1 29427223 SJOWVDJKDGQHAL-INIZCTEOSA-N 393.487 3.753 0 40 GHAB CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNS(=O)(=O)c2cccs2)C=C1C 30882330 PMUXMISKLSAVJV-ULQDDVLXSA-N 399.578 3.834 0 40 GHAB biogenic,in-vitro Cc1ccc(-c2csc(NC(=O)Cn3nnc(-c4ccccc4)n3)n2)cc1C 31625555 QUZIIYZMBUEQCU-UHFFFAOYSA-N 390.472 3.719 0 40 GHAB COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2ccc(C)cc2)cc1 32096771 NXEQPBDKRLKYRJ-GOSISDBHSA-N 390.443 3.698 0 40 GHAB C[C@H]1C[C@@H](Sc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)C(=O)O1 32736610 ASUIJTCJGPZQPL-OIBJUYFYSA-N 391.396 3.976 0 40 GHAB Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(C)c1 35311522 LKHQPNAZXDHVHD-UHFFFAOYSA-N 398.484 3.936 0 40 GHAB COc1cccc(-c2cc(C(F)(F)F)nc(NCCn3ccc(C)n3)n2)c1 36618649 SIDVHPXSSKVUOF-UHFFFAOYSA-N 377.370 3.788 0 40 GHAB CCN(CC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H](C)c1ccc(F)cc1 40154560 PNRDBECLOLRINS-CQSZACIVSA-N 390.455 3.873 0 40 GHAB Cc1cc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)c(C)s1 48314643 BMDZYMCJLZGVNF-LBPRGKRZSA-N 396.534 3.542 0 40 GHAB O=C(NCc1ccc(F)cc1)c1snc(-c2ccccn2)c1NC(=O)C1CC1 49007800 ADWFLYCUBALHAE-UHFFFAOYSA-N 396.447 3.623 0 40 GHAB Cc1cccc(CN2C(=O)N(c3ccc(F)cc3)c3ncccc3S2(=O)=O)c1 49420970 GMIPKALYMBZTKT-UHFFFAOYSA-N 397.431 3.992 0 40 GHAB S=c1oc(-c2ccco2)nn1CN1CCN(c2ccccc2Cl)CC1 58165803 CUMGTBSJCBKCMX-UHFFFAOYSA-N 376.869 3.899 0 40 GHAB Cn1c([C@@H](NS(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21 60242096 IWODIPPEFRSPGK-SFHVURJKSA-N 383.498 3.703 0 40 GHAB Cc1ccc(C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)c(=O)[nH]1 64808126 XZJWWKUUWRGPBH-UHFFFAOYSA-N 378.215 3.533 0 40 GHAB O=C(c1nnn(-c2ccccc2Cl)c1-c1cccnc1)N1CCCCCC1 67262548 NWOAQHOSEDTTRZ-UHFFFAOYSA-N 381.867 3.999 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)c1sccc1NC(=O)c1cnccn1 67335613 VAEYOQKNLMTYTL-CQSZACIVSA-N 380.473 3.542 0 40 GHAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1cc2c(cc1Cl)OCCCO2 67663436 GJVVPKVJMDRQPN-SNVBAGLBSA-N 378.860 3.734 0 40 GHAB Fc1ccc(C2(c3nnc([C@@H]4COc5ccccc5O4)o3)CCOCC2)cc1 71889824 NONWZQWJCUUUJW-SFHVURJKSA-N 382.391 3.818 0 40 GHAB O=S(=O)(CCN1CC(OCc2cccc3ccccc23)C1)c1ccccc1 72308925 BALZKRNXIFFCHQ-UHFFFAOYSA-N 381.497 3.515 0 40 GHAB O=C(CN1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1)Nc1nccs1 72358594 MVSVCZYFBBQYTI-HNNXBMFYSA-N 397.479 3.557 0 40 GHAB CCc1nccn1-c1cccc([C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 72379027 YCANDRCYYHALCB-SFHVURJKSA-N 390.487 3.615 0 40 GHAB CC(C)n1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c2ccccc2c1=O 72401768 JVTWBODGKBPNRO-OAQYLSRUSA-N 376.456 3.796 0 40 GHAB Cc1cn2c(n1)CC[C@H](N[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C2 89702172 BJYBYQYJLAVTJY-FPOVZHCZSA-N 378.451 3.615 0 40 GHAB Cc1cc(C)cc(C2=CCN(C(=O)N[C@H](C)c3nnc4ccccn34)CC2)c1 94017568 HPALJWMLRURBKD-QGZVFWFLSA-N 375.476 3.906 0 40 GHAB CC(C)n1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O 95479564 FYSQBXBYPDIPKQ-UHFFFAOYSA-N 389.499 3.540 0 40 GHAB O=C(O)[C@]12COc3ccccc3[C@H]1CN(Cc1cnc(C3CCCCC3)nc1)C2 95521760 IJGYASLYLRWANX-AUSIDOKSSA-N 393.487 3.587 0 40 GHAB Cc1nc([C@@H]2CCCN(C(=O)c3sc4nc(C5CC5)nc(C)c4c3C)C2)n[nH]1 95966371 YAUVPIOXBQRZOB-CQSZACIVSA-N 396.520 3.632 0 40 GHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101690651 YGPYPLBLTBVAPJ-DQQFRQOVSA-N 378.463 3.660 0 40 GHAB O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 103514963 KKIHAPRDPGVXAB-ZFWWWQNUSA-N 395.629 3.939 0 40 GHAB COc1ccc(Br)cc1CN(C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 110534856 LEDCYKNYWBNCCU-GRDNDAEWSA-N 397.357 3.830 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 113957666 LSURGPZDJUGBCU-CYBMUJFWSA-N 396.459 3.881 0 40 GHAB Cc1cccc(N(CCCC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)c1C 113961784 KLRJEAYQONPLFD-UHFFFAOYSA-N 382.570 3.646 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(C)cc1C)N(c1ccccc1F)S(C)(=O)=O 113966899 CKUNLEWNSWPZBH-KRWDZBQOSA-N 378.469 3.626 0 40 GHAB Cc1ccc(C)c(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1 224258841 KLPYKRHMBZSOTH-UHFFFAOYSA-N 387.487 3.672 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)cc1 225514176 BWIAGSBNUOHIAR-LJQANCHMSA-N 382.504 3.624 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1cc(C(=O)OC)ccc1C 225581965 HCQZEDCDZCRIDJ-QGZVFWFLSA-N 377.554 3.723 0 40 GHAB COC(=O)c1ccc(OC)c(NC(=O)COc2cccc(C(F)(F)F)c2)c1 225814574 PHOZVKNSDPNGNF-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1CC[C@@H](Oc2ccc(Br)cn2)C1 238847803 ISVYNWUXDORWPJ-CQSZACIVSA-N 386.249 3.619 0 40 GHAB CCc1cccc(C)c1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 243860342 RIVDPZBTBWNOES-UHFFFAOYSA-N 380.897 3.616 0 40 GHAB CO[C@H]1CCN(c2ccc(C(=O)NCc3cccc(Br)c3)cc2)C1 245131303 VODQOROEGSURMY-SFHVURJKSA-N 389.293 3.604 0 40 GHAB CN(C)C(=O)c1sc2nc([C@H]3CCCCN3C(=O)C(C)(C)C)ccc2c1N 257247968 JBKWBWITSXXNKZ-CQSZACIVSA-N 388.537 3.680 0 40 GHAB Cc1cc(C(F)F)n(CC(=O)N2C[C@H]3[C@@H](Oc4cccc(F)c4)CC[C@H]3C2)n1 257269621 MQSJODMPRZPTSJ-XCRHUMRWSA-N 393.409 3.584 0 40 GHAB O=C(c1cc(-c2ccccc2F)n[nH]1)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1 257272776 NDUVKOPTSKAJRO-FNXXIHLHSA-N 392.434 3.540 0 40 GHAB Cc1ncsc1C(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2 257302983 SFHFLOWDLSCSMW-JWPKLBNJSA-N 381.545 3.808 0 40 GHAB CCN(Cc1ccncc1)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccc(C)cc1 257320509 VXDMGHGVSCXZJO-IRLDBZIGSA-N 379.504 3.738 0 40 GHAB Cc1cc(NC(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)cc2n[nH]cc12 568375907 YTTJEEYBTWXMPM-CYBMUJFWSA-N 379.468 3.729 0 40 GHAB O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCc2cc(O)ccc2C1 1515043071 PRDOKZGUHCMQFJ-DLBZAZTESA-N 377.362 3.979 0 40 GHAB O=C(NCc1ccccc1Oc1ccc(F)cc1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 1616044110 AGQHSQZPGLFMCK-VPWXQRGCSA-N 384.451 3.920 0 40 GHAB CCc1cccc2sc(N3CC[C@H](COc4ccc5nccn5n4)C3)nc12 2087067489 QIRVBTGJVLEGDR-AWEZNQCLSA-N 379.489 3.807 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccccc1OC 649469 YSXQLGQMMMQZAI-UHFFFAOYSA-N 398.488 3.713 0 40 GHAB CCOC(=O)c1c(NC(=O)COc2ccccc2OC)sc2c1CCCC2 722522 PYDHUMJZCDKDEL-UHFFFAOYSA-N 389.473 3.830 0 40 GHAB CCn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1ccc(OC)cc1 1222239 OMTHEFRZSRALFH-UHFFFAOYSA-N 376.526 3.711 0 40 GHAB CCOC(=O)CCN(C)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 1677762 JPFDGUJLGGJJTO-UHFFFAOYSA-N 399.878 3.616 0 40 GHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(SC)cc1 2432908 WIVZRQNREZCUCM-IBGZPJMESA-N 392.484 3.989 0 40 GHAB O=C1OCC[C@H]1Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 2620397 PAYQOFFFTOJUDO-MRXNPFEDSA-N 386.860 3.506 0 40 GHAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(Cl)s2)cc1 3341024 YKGOHJPWMJRHPK-UHFFFAOYSA-N 393.892 3.855 0 40 GHAB CCn1c(SCC(=O)NCc2cccs2)nc2sc(C)c(C)c2c1=O 3374104 NQTFLVMPAMLBRN-UHFFFAOYSA-N 393.559 3.565 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(SCCOc3ccccc3)nnc12 3375323 DHGAVOYURNIUHQ-UHFFFAOYSA-N 380.473 3.625 0 40 GHAB Cc1ccccc1OCCOCCOc1ccc(/C=C2/SC(=N)NC2=O)cc1 3854461 OVENYCHKBSCINS-XMHGGMMESA-N 398.484 3.608 0 40 GHAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)n1C 4947942 GBVOITQYQQSZHA-JTQLQIEISA-N 377.857 3.551 0 40 GHAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccccc1C(F)(F)F 5075915 OTMMQMQVNVKDQJ-UHFFFAOYSA-N 398.406 3.806 0 40 GHAB CCOc1ccc(-c2nnc3sc(COc4ccc(OC)cc4)nn23)cc1 5557159 CGYUTLHNFLJOKN-UHFFFAOYSA-N 382.445 3.839 0 40 GHAB Cc1c(Cl)cccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 5697159 ZRCZHCSLWNSSIR-UHFFFAOYSA-N 394.924 3.758 0 40 GHAB COc1ccc(C)cc1NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 6087141 UKCLZOGDGWBYHM-UHFFFAOYSA-N 392.242 3.659 0 40 GHAB COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=S)NC(C)=O)cc1 6238403 SSHIIVNATRVWEQ-UHFFFAOYSA-N 393.468 3.934 0 40 GHAB O=C(Cc1ccccc1)NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O 6252079 LPSJUHCLNFZTQF-UHFFFAOYSA-N 383.256 3.747 0 40 GHAB COC[C@H](C)n1c(SCCOc2ccccc2F)nc2ccccc2c1=O 6784560 CDGXJKNJHRJYDX-AWEZNQCLSA-N 388.464 3.914 0 40 GHAB COc1ccc(/C=C/C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1OC 7759937 JQIIGVSRRDENDO-ONNFQVAWSA-N 399.834 3.737 0 40 GHAB CN(CC(=O)NCCC1=CCCCC1)CC(=O)Nc1ccc(Cl)c(Cl)c1 8065661 BBGSSOQCAZZZJA-UHFFFAOYSA-N 398.334 3.870 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1c(-n2cccc2)sc2c1CCCC2 8429486 HPDYTPRTGMRXPO-UHFFFAOYSA-N 378.457 3.840 0 40 GHAB COc1ccc(C(=O)NC2CCN(C(=S)Nc3cc(C)ccc3C)CC2)cc1 8670340 HGPYWXDJRPSGIV-UHFFFAOYSA-N 397.544 3.903 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1 8775509 WWQLXKMWETVSEX-UHFFFAOYSA-N 383.473 3.518 0 40 GHAB Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)C3CCCCC3)s2)CC1=O 9198473 VNUTWNQRYSEOBQ-HNNXBMFYSA-N 384.505 3.886 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)c2nc3nc(C)cc(C)n3n2)cc1 9549743 PZOBGIIGRYPTRG-GOSISDBHSA-N 379.464 3.507 0 40 GHAB Cc1ccc(N2CCn3c(SCC(=O)Nc4cccc(C)c4)nnc32)cc1 9651574 ZXMIUYTZPJNDSK-UHFFFAOYSA-N 379.489 3.777 0 40 GHAB C[C@H](OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)C(=O)NC1CCCC1 9703051 FCPBDIABNUFYEO-INIZCTEOSA-N 394.471 3.567 0 40 GHAB COC(=O)c1cc(CNC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)ccc1OC 9958792 BRYIXDQZHDYEQI-LJQANCHMSA-N 388.439 3.817 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(OC)c1OC 10544475 ROBGZYBOMWKAFW-CQSZACIVSA-N 395.459 3.609 0 40 GHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2C)c1 11689883 LAZOMWTUADESQB-UHFFFAOYSA-N 387.896 3.972 0 40 GHAB CCN1CCN(c2ccc(NCc3cc4cc(C)c(C)cc4[nH]c3=O)cc2)CC1 12088340 CJPDQDOXDNKWEB-UHFFFAOYSA-N 390.531 3.899 0 40 GHAB O=C(Cc1ccccc1F)N1CCC[C@H](c2ccnc(-c3cccnc3)n2)C1 12119356 HHRWARWIFHBHDB-SFHVURJKSA-N 376.435 3.626 0 40 GHAB CC(=O)NC1(c2ccccc2F)CCN(Cc2ccc3c(c2)C[C@@H](C)O3)CC1 12328863 BFLAWEJFVKXSHN-MRXNPFEDSA-N 382.479 3.777 0 40 GHAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccccc3OC(F)F)ccc21 12565415 KRBPVWSNPQKUEW-GFCCVEGCSA-N 389.402 3.636 0 40 GHAB CCc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 12814560 DRXOAONKARPEJY-UHFFFAOYSA-N 380.488 3.765 0 40 GHAB CC[C@@H](NC(=O)CNC(=O)Cc1cccc2ccccc12)c1ccc(OC)cc1 12814913 MYCDENWROBFZDQ-JOCHJYFZSA-N 390.483 3.775 0 40 GHAB CCOc1ccc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)sc2c1 13011682 PXWJFTLGBODQRN-ZDUSSCGKSA-N 399.472 3.779 0 40 GHAB O=C(Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1)N1CCCC1 13714370 FFOSKMJMDOLLQN-UHFFFAOYSA-N 392.499 3.538 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 15950119 UUZXHEPXPAREGS-UHFFFAOYSA-N 397.906 3.738 0 40 GHAB CCCc1nnc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)s1 17287315 MLVQNICADFRDDN-UHFFFAOYSA-N 392.440 3.544 0 40 GHAB O=C(NC1CCCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 17357249 ARZLPLDKLLTODG-UHFFFAOYSA-N 393.325 3.750 0 40 GHAB COc1ccc(C)cc1CN1CCC[C@H]1c1nc(O)cc(-c2ccccn2)n1 19133491 QXNFWICIWBSPDX-IBGZPJMESA-N 376.460 3.898 0 40 GHAB O=C(c1cc(C2CCCCC2)no1)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 19292187 ZVBCBYAQHALFHB-IBGZPJMESA-N 395.507 3.525 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cscn3)cc2n1 19522321 CCUOJTAOJWZQSC-ZDUSSCGKSA-N 395.410 3.744 0 40 GHAB Cn1cc(-c2csc(NC(=O)c3cnc(-c4ccc(Cl)cc4)nc3)n2)cn1 19661848 RGKKUTARBBJLMP-UHFFFAOYSA-N 396.863 3.906 0 40 GHAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(Cc3cnc(CC)nc3)CC2)C1 19712740 QBACQJARBINCCQ-VXKWHMMOSA-N 394.563 3.903 0 40 GHAB COc1cccc2cc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)c(C)nc12 19714382 QNDSYSIPOVPKKC-UHFFFAOYSA-N 379.445 3.661 0 40 GHAB O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)Nc1cccc(Cl)c1Cl 20103370 DOEMSHMQLNXANR-ZDUSSCGKSA-N 375.215 3.519 0 40 GHAB COc1ccc(-n2cc(C(=O)OCc3ccccn3)c3ccccc3c2=O)cc1 21359941 LTMJVHJYUASYDF-UHFFFAOYSA-N 386.407 3.751 0 40 GHAB CCn1c(S[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc21 21475357 JDTYTZAQJIXAJE-LBPRGKRZSA-N 381.457 3.751 0 40 GHAB CN1CCN([C@@H](CNC(=O)Cc2cccc3ccccc23)c2ccsc2)CC1 22765614 IFQMCFTUMZIQGO-QFIPXVFZSA-N 393.556 3.549 0 40 GHAB COc1ccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)cn1 23353835 QHOZQDIZQDLFEC-UHFFFAOYSA-N 395.419 3.791 0 40 GHAB CCCCc1nc2ccccc2n1C[C@@H](O)COCc1ccc2c(c1)OCO2 23387566 PKSQCHMLFAEMRU-QGZVFWFLSA-N 382.460 3.685 0 40 GHAB O=C(N[C@H](C(=O)NCC1(c2ccccc2)CCC1)c1ccccc1)c1ccco1 24775035 KGCGBIMBBOOCDC-NRFANRHFSA-N 388.467 3.989 0 40 GHAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccccc1N1CCOC[C@@H]12 25184700 SWYPMYZOPNHHBL-TZIWHRDSSA-N 381.863 3.510 0 40 GHAB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)N1CCc2ccccc2C1 27573999 HTMWFDRRQPIFMC-UHFFFAOYSA-N 392.499 3.745 0 40 GHAB O=C(NC[C@@H](O)c1cccc(Cl)c1)c1c[nH]nc1-c1ccc(Cl)cc1 31989148 JJRYANFAGIUVBT-MRXNPFEDSA-N 376.243 3.847 0 40 GHAB Cc1cc(Br)c(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1C 32601681 QGPZHJZWQSKSCN-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB O=C(Cc1csc(NC(=O)Cc2cccs2)n1)Nc1ccc(Cl)cn1 33158730 YDHWXLQGSPNHQW-UHFFFAOYSA-N 392.893 3.615 0 40 GHAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2c(CC)cccc2CC)cc1 33763868 HYWFFGBEGRSAGG-UHFFFAOYSA-N 388.533 3.681 0 40 GHAB COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3ccccc3F)n2)c1 35425065 HFBWIDMYSWEEMP-IBGZPJMESA-N 398.438 3.633 0 40 GHAB biogenic,in-vitro COc1ccc(C(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 38790988 ADTDHMGBVQWBNU-UHFFFAOYSA-N 399.244 3.564 0 40 GHAB O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccc2c(c1)OCCCO2 40266942 AKJWKDNGNCJJHE-UHFFFAOYSA-N 377.322 3.995 0 40 GHAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 42379919 XTGTXPPGHRGOOU-LBPRGKRZSA-N 395.444 3.801 0 40 GHAB CC(=O)Nc1cccc(NC(=O)[C@H](SC(=S)N2CCCC2)C(C)C)c1 42989612 PWBIXEHNXKSBLO-MRXNPFEDSA-N 379.551 3.722 0 40 GHAB COc1ccccc1-c1nc(CS(=O)(=O)c2nc3ccccc3[nH]2)cs1 47939921 HDWUQBHRJIQRLV-UHFFFAOYSA-N 385.470 3.669 0 40 GHAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 48252579 SOBCRMAOIAODTF-HNNXBMFYSA-N 390.503 3.727 0 40 GHAB O=C1CCC(=O)N1Cc1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)cc1 48375036 FVVSFJIEDZPCGO-NRFANRHFSA-N 390.483 3.573 0 40 GHAB O=C(Nc1ccc(Oc2ccncc2)cc1)[C@@H]1CCCN(c2ncccn2)C1 50490908 WYJWCVRHLXZWLY-MRXNPFEDSA-N 375.432 3.519 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2cc(C)[nH]c2c1=O 57521916 IKPQYHRAXNBJQE-UHFFFAOYSA-N 394.859 3.576 0 40 GHAB O=C(Cc1ccccc1F)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 65576713 SEDNUBZEQSMJPO-MRXNPFEDSA-N 383.398 3.964 0 40 GHAB CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NC4CCCC4)ccn3n2)cc1 67260950 YNXBBHBRCWMHJM-UHFFFAOYSA-N 392.503 3.735 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1 71761111 OIDFASVSOLFQJX-UHFFFAOYSA-N 399.488 3.804 0 40 GHAB CCCC(=O)N1CCN(CCC)C(=O)[C@H]1Cc1ccccc1-c1cccnc1 72351562 IDAXGEBQMBHGRJ-OAQYLSRUSA-N 379.504 3.541 0 40 GHAB NC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 72352544 SRTFOVMKJFEPIA-INIZCTEOSA-N 388.496 3.933 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3nc(-c4ccncc4)cs3)n(C)n2)cc1 72405384 ZMEPNKDLOILJNZ-UHFFFAOYSA-N 391.456 3.867 0 40 GHAB Cn1nc(-c2ccccc2)nc1CCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 95453064 DBDNLMVLTJSMMG-QZTJIDSGSA-N 380.879 3.598 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cccc3c2ccn3CCOC)c1C 95480300 QMGIQYITANZQKI-UHFFFAOYSA-N 383.448 3.662 0 40 GHAB Cc1cc(N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)nc(-c2ccncc2)n1 95958371 MKNRHODTKSWBOW-GOSISDBHSA-N 393.878 3.742 0 40 GHAB CCC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)OC 95983829 OBIDYMSTPFHGDC-IBGZPJMESA-N 377.444 3.611 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC(Oc2cccnn2)CC1 96102931 ZBTDXGLPJYAACX-UHFFFAOYSA-N 388.471 3.819 0 40 GHAB O=C(Nc1ccn(Cc2ccccc2F)n1)C1(c2ccccc2)CCOCC1 96182478 KANAIPMMNBHSLG-UHFFFAOYSA-N 379.435 3.757 0 40 GHAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2nc3ccc(Br)cc3s2)[C@H]2C=C[C@H]1C2 100296780 YRLQTVLZBUOZGD-XMUKKISLSA-N 393.262 3.520 0 40 GHAB CC1(C)CC(=O)C(C(c2ccccc2O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 100577550 ANUSUSVUPHXWTN-UHFFFAOYSA-N 384.472 3.625 0 40 GHAB FC(F)(F)c1cc(NCc2cccnc2-n2ccnc2)nc(-c2cccnc2)n1 116870310 JUHOAKLDJCEUFC-UHFFFAOYSA-N 397.364 3.750 0 40 GHAB COC(=O)Cc1ccccc1NC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 177389804 QPUSAHFMXKJALG-UHFFFAOYSA-N 392.459 3.667 0 40 GHAB O=C(CCc1ccccc1Br)NC[C@H]1CCCN1c1nccs1 206778830 JSDIRZMUESYIDR-CQSZACIVSA-N 394.338 3.623 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 216251467 HJOAVZODAIKBQC-UHFFFAOYSA-N 378.881 3.518 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 218922523 AIMLLKWZZOPNST-HNNXBMFYSA-N 377.868 3.928 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 222382439 USIUKTQXKBYJNB-LJQANCHMSA-N 382.504 3.626 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F 223283678 LSARLLXDDRQJEU-INIZCTEOSA-N 388.458 3.841 0 40 GHAB CCOC(=O)c1sc(Nc2ccc(I)cc2)nc1C 223452413 AUVWOXGBHSUBSG-UHFFFAOYSA-N 388.230 3.976 0 40 GHAB CCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224687891 ZOSJAEUPSQRHPE-UHFFFAOYSA-N 381.881 3.715 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOCc2ccccc2)cc1C(C)C 225146090 BHRZQTJTHPDCNH-UHFFFAOYSA-N 377.506 3.622 0 40 GHAB CCCNC(=O)c1cc(N)ccc1Nc1ccc(I)cc1 225472200 ZWGNZNCEVNSNFP-UHFFFAOYSA-N 395.244 3.757 0 40 GHAB CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccccc1 225678295 AVUINKNJSOMAIR-INIZCTEOSA-N 390.530 3.666 0 40 GHAB Cc1ccc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1C 225691935 UMTKJNVIKOAVII-HXUWFJFHSA-N 396.531 3.667 0 40 GHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc21 225707133 BXSNXIJGZVLDKP-UHFFFAOYSA-N 384.429 3.723 0 40 GHAB COC1(CNC(=O)CCc2ccc(C(F)(F)F)cc2)Cc2ccccc2C1 225720803 FRPIROIOPJBREV-UHFFFAOYSA-N 377.406 3.938 0 40 GHAB COC(=O)c1cccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)c1C 225740342 JPWOAVCFECJWKJ-HNNXBMFYSA-N 397.544 3.909 0 40 GHAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCCC3)nc(NC(=S)NC(C)(C)C)n2)C1 225894068 HHFQCGJZLCZBAY-HUUCEWRRSA-N 390.601 3.644 0 40 GHAB COc1ccc(C(=O)Nc2cc(Br)c3nc(N)sc3c2)cc1 226310891 UUYRYEYZWWRTJX-UHFFFAOYSA-N 378.251 3.902 0 40 GHAB CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)C(C)C)CC1 257295884 RAGSVWRVCASLMT-UHFFFAOYSA-N 393.531 3.692 0 40 GHAB CN1CCC(C(=O)N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)CC1 257334810 YHLISKNJIMVWFL-UHFFFAOYSA-N 399.510 3.626 0 40 GHAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)Nc3ccccc3C(F)(F)F)C2)n1 390829536 ZQODJRWLKJKAKB-CYBMUJFWSA-N 380.370 3.797 0 40 GHAB COc1ccc(CSCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 408564595 XOTSWCUDNKZSDY-VMPITWQZSA-N 396.556 3.786 0 40 GHAB Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)sc1-c1ccc(F)cc1 523228286 SXAOLQOOJWZWDA-UHFFFAOYSA-N 382.464 3.615 0 40 GHAB Cn1cc([C@@H]2CN(C(=O)Nc3nc4c(s3)CCCC4)Cc3ccccc32)cn1 575621050 XHQIICROBCVAPT-KRWDZBQOSA-N 393.516 3.935 0 40 GHAB Cn1ccc(CN2CCC[C@H]2c2csc(NC(=O)c3ccc(F)cc3)n2)n1 585294803 KMQDWNKENAFXEW-KRWDZBQOSA-N 385.468 3.605 0 40 GHAB COc1ccc([C@@H](NC(=O)c2nn(C)c3c2CCCC3)c2ccccc2)cc1 648516412 MYNFTSXORDDHNS-NRFANRHFSA-N 375.472 3.827 0 40 GHAB O=C(NCCc1nc(-c2ccccn2)cs1)c1cc(F)c2ncccc2c1 1632774375 BFQXEMYJUHCMQG-UHFFFAOYSA-N 378.432 3.865 0 40 GHAB FC(F)(F)c1ccc(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)nc1 1888879092 BYIBKQMMSAGUIO-UHFFFAOYSA-N 389.425 3.583 0 40 GHAB Cc1ccc(C(=O)NC2CCC3(CCC(=O)N3Cc3csc(C)n3)CC2)o1 2055819310 UGOLHLOVXMINFP-UHFFFAOYSA-N 387.505 3.587 0 40 GHAB Cc1noc(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)OCC(C)C)CC1 2056226407 QLFBBBBPFNEKKY-SFHVURJKSA-N 391.512 3.791 0 40 GHAB O=C(NC1CCOCC1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 2086861394 KOBTZJKWVYHHFL-UHFFFAOYSA-N 380.492 3.575 0 40 GHAB O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)C(F)(F)F)C1CCCC1 1365718 QUIQJXHHJIRTCV-QGZVFWFLSA-N 397.441 3.905 0 40 GHAB O=C(CSc1nnc(NC(=O)C2CCC2)s1)Nc1ccc(Cl)cc1 1381698 UUSPHRCBRFGTCS-UHFFFAOYSA-N 382.898 3.661 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1F)N1CCN(CCc2ccccc2)CC1 22913377 OAHAPRZEMWLQJF-MRXNPFEDSA-N 389.902 3.666 0 40 GHAB Clc1cccc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)c1 2022098 KWYQGFAGMNSBQW-UHFFFAOYSA-N 398.982 3.674 0 40 GHAB CCn1c(SCC(=O)NCc2ccccc2)nc2sc(C)c(C)c2c1=O 3374260 PVLFFTOQHNIJOK-UHFFFAOYSA-N 387.530 3.503 0 40 GHAB COc1cc(C(=O)N2Cc3cc4ccccc4nc3[C@H]2C)cc(OC)c1OC 4972216 DLCWZADGTDSTGE-CYBMUJFWSA-N 378.428 3.978 0 40 GHAB O=C(CNC(=O)c1ccco1)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 6227536 LCBRSKLOXJKVAO-HXUWFJFHSA-N 397.814 3.830 0 40 GHAB Cc1nn(C)c2ncc(NC(=O)/C=C/c3ccc(Br)s3)cc12 24032947 NUHHYRDRAUXIBB-GQCTYLIASA-N 377.267 3.753 0 40 GHAB NC(=O)OC[C@@H](COc1ccc(Cl)cc1)OC(=O)c1ccccc1Cl 6513830 DXOATRNSTMLOJU-CYBMUJFWSA-N 384.215 3.693 0 40 GHAB O=C(OCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1)c1cnccn1 6607987 SQNCGCWHDVZPBW-GOSISDBHSA-N 391.452 3.514 0 40 GHAB COc1cc(C(=S)N2CCN(c3ccccc3F)CC2)cc(Cl)c1O 6951462 CNSASSNWFUKWIP-UHFFFAOYSA-N 380.872 3.691 0 40 GHAB O=C(CCN1CCSC1=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 12520058 ULBZRIIBKGEHPR-GOSISDBHSA-N 394.500 3.522 0 40 GHAB CSc1ncc(C(=O)N(C)C[C@H]2COc3ccccc3O2)n1-c1ccccc1 12580299 XWVVQXDLBKQOBL-INIZCTEOSA-N 395.484 3.506 0 40 GHAB CN(Cc1ccccc1OC(F)(F)F)CN1C(=O)NC2(CCCCCC2)C1=O 24738455 YPWLWJLPOIWLKV-UHFFFAOYSA-N 399.413 3.619 0 40 GHAB CCc1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1 8131136 PQQKOKFCKGCULE-HXUWFJFHSA-N 388.533 3.626 0 40 GHAB O=C(OC1CCCCC1)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1 1397412 HPMGUUFYLYGOKT-UHFFFAOYSA-N 386.882 3.514 0 40 GHAB CC(C)OC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccccc3)sc2c1 8903762 JCJMOKJGGKCQDJ-UHFFFAOYSA-N 399.497 3.988 0 40 GHAB C[C@@H]1[C@@H](NC(=O)CN2CCC(C(=O)c3cc(F)ccc3F)CC2)CCC[C@H]1C 106749443 BUSAWCAGVPGSTE-SIFCLUCFSA-N 392.490 3.800 0 40 GHAB COC(=O)c1c(N)oc2c(-c3ccc(F)cc3)c3c(C(=O)OC)c(N)oc3cc12 1424180 VPUCITJJMVQFJY-UHFFFAOYSA-N 398.346 3.723 0 40 GHAB Cc1ccc(C)c(OCC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)c1 55986742 KIRRZMYUQBPPQB-UHFFFAOYSA-N 389.455 3.646 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c(OC[C@H]2CCCO2)c1 57363401 UVOSSXCOAYLMGX-WBVHZDCISA-N 380.444 3.617 0 40 GHAB COc1ccc2c(c1)CCC[C@]21NC(=O)N(Cc2c(F)cccc2Cl)C1=O 3276409 XMMKAYULGFLIRD-FQEVSTJZSA-N 388.826 3.771 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2=O)cc1 27397746 YLMKQRMNDYZELY-UHFFFAOYSA-N 379.460 3.596 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)cc1 27752583 RWSFIACECBYWNN-LJQANCHMSA-N 382.460 3.565 0 40 GHAB C[C@@H]1CC(=O)c2cnc(NC(=O)CSc3nc4ccccc4s3)nc2C1 12653286 NBCARYCLVJSANL-JTQLQIEISA-N 384.486 3.582 0 40 GHAB Cc1nc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)sc1C 100179770 ZIDVWOQYNDEBLD-LYDQXWKUSA-N 397.500 3.653 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O 58377198 BIFUUDNIPQAVSB-UHFFFAOYSA-N 390.244 3.566 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1 55553554 DZCNAWQFEAOIFV-UHFFFAOYSA-N 387.867 3.690 0 40 GHAB Cc1nn(C)c2ncc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)cc12 48288539 AQMUBJIBXNQVCG-UHFFFAOYSA-N 379.395 3.642 0 40 GHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@@H](C(N)=O)c1ccc(F)cc1 11657106 QDOAGCCBIPCROR-CQSZACIVSA-N 392.452 3.564 0 40 GHAB C[C@H]1CCc2c(sc3nc(Sc4nnnn4-c4ccccc4)nc(N)c23)C1 3354029 ZSDGJUXQRFNRLM-JTQLQIEISA-N 395.517 3.525 0 40 GHAB CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(NC(C)=O)cc1 2601577 AYBNYIBESYIIJW-FGFUGZQNSA-N 387.524 3.941 0 40 GHAB COc1ccc(OC)c(C(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)c1 3342135 NTXDIHCGLRPTER-UHFFFAOYSA-N 390.819 3.746 0 40 GHAB COc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3ccccc3OC)n2)cc1 12111382 XJLWZPHCLSZXQO-GFCCVEGCSA-N 385.445 3.628 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)cc1Cl 48382605 HALNFAJROHCKTG-UHFFFAOYSA-N 375.855 3.608 0 40 GHAB FC(F)(F)c1cccc(CNc2nc(N3CCCC3)nc(N3CCCC3)n2)c1 12825423 RWMURYKHOVMHDZ-UHFFFAOYSA-N 392.429 3.703 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CN[C@@H](C)c2ccc(Br)cc2)c1 12891738 WTCIEMTZRPEUFQ-LBPRGKRZSA-N 390.281 3.697 0 40 GHAB C[C@H]1CN(C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)O1 13133963 QJIQFHNUNAUHQZ-MRUHUIDDSA-N 391.458 3.541 0 40 GHAB Cc1noc(C)c1CSCC(=O)Nc1ccccc1C(=O)NC1CCCC1 13135365 VAJYMFUACHFSLL-UHFFFAOYSA-N 387.505 3.836 0 40 GHAB O=C(Nc1ccc(C(=O)c2ccc(C(=O)O)c(C(=O)O)c2)cc1)c1ccccc1 5005353 JKJSWJRWOWEVJC-UHFFFAOYSA-N 389.363 3.566 0 40 GHAB CCn1c(SCCOc2ccccc2)nnc1[C@H](C)NC(=O)c1ccccc1 9327518 KWVHHIJQTYJOOA-INIZCTEOSA-N 396.516 3.960 0 40 GHAB C[C@@H]1CCC[C@@H](NC(=O)NC(=O)CSc2nnc(C3CCCCC3)o2)[C@@H]1C 14183755 XVDIXAWAPLOGJG-UMVBOHGHSA-N 394.541 3.860 0 40 GHAB COc1ccc(C(=O)COC(=O)c2ccccc2S)cc1Br 4593094 TUXVKIUZJGVIGX-UHFFFAOYSA-N 381.247 3.786 0 40 GHAB O=C(NCC1(c2ccccc2)CC1)C1CCN(c2nc3ccccc3o2)CC1 14227598 DMBYKKBBZXOWBN-UHFFFAOYSA-N 375.472 3.892 0 40 GHAB Cc1ccc(OS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2c1[C@H](C)CC2=O 22134321 DNABBZBTCWTWFV-CQSZACIVSA-N 399.468 3.579 0 40 GHAB COc1ccc(NC(=O)C[C@@H](C)NC2CCN(Cc3ccccc3)CC2)cc1 6787587 LPSZLGKSUSHCHR-GOSISDBHSA-N 381.520 3.667 0 40 GHAB Cn1c(CNC(=O)COc2ccc(Cl)cc2C2CCCCC2)n[nH]c1=S 66626271 QJLRLNXDTSMAFT-UHFFFAOYSA-N 394.928 3.874 0 40 GHAB CCOc1ccc(-n2c(=O)c3sccc3n(Cc3cccc(C)c3)c2=O)cc1 4882120 VGCZJNXOYCVYIV-UHFFFAOYSA-N 392.480 3.969 0 40 GHAB COc1ccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)c(OC)c1 15018124 VRJCYZIJXDEOOZ-OAHLLOKOSA-N 376.250 3.769 0 40 GHAB COC(=O)c1sc2ncccc2c1NC(=O)CSc1nc2ccccc2o1 9482428 SIIYNRGRBQVUCO-UHFFFAOYSA-N 399.453 3.955 0 40 GHAB CCc1ccc2nc(NC(=O)[C@H]3CN(C(C)=O)c4ccccc4O3)sc2c1 6933864 KOPAUPAGSGQBFH-QGZVFWFLSA-N 381.457 3.611 0 40 GHAB Cc1ccc(-c2cc3c(N4CCN(c5ccccn5)CC4)nccn3n2)c(C)c1 67285149 PFNSZVLJLWLEPI-UHFFFAOYSA-N 384.487 3.735 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CCC3)cc1 19819155 UYZWRYRNYXSZKM-UHFFFAOYSA-N 387.439 3.936 0 40 GHAB Cc1ccc(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1C 7536369 FKDZWKQNDIOBJI-OAHLLOKOSA-N 392.546 3.673 0 40 GHAB Cn1c(SCc2cc(=O)oc3cc(O)c(Cl)cc23)nnc1C(F)(F)F 7985614 YVOVIHKULJEPBE-UHFFFAOYSA-N 391.758 3.592 0 40 GHAB CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C(C(=O)OC)=C(C)N2 7990957 RRHSTXXRTNPQTL-CYBMUJFWSA-N 391.518 3.728 0 40 GHAB C[C@H](NC(=O)COc1cccc2c1OC(C)(C)C2)c1ccc(-n2ccnc2)cc1 8013790 PPGVTRYVYAJZJQ-INIZCTEOSA-N 391.471 3.842 0 40 GHAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1CCc2ccccc21 8076576 MQIYNMUAHDERDE-CQSZACIVSA-N 391.500 3.745 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1n[nH]c(=O)n1Cc1ccccc1 16803091 HRIVXLFDRNSVCS-CQSZACIVSA-N 392.484 3.773 0 40 GHAB COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3C(F)(F)F)cc1 66089646 OMTPDVBEPGPINH-SNVBAGLBSA-N 391.392 3.578 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3N3CCCC3=O)c2O1 8316587 RNVOJXJBBQAZLQ-UHFFFAOYSA-N 380.444 3.544 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccncc2)C1=O)Nc1cccc2ccccc12 409326997 PSQULNUGQOMGIM-LDADJPATSA-N 389.436 3.910 0 40 GHAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8514346 RFRFBYYNANCVBL-QGZVFWFLSA-N 395.427 3.652 0 40 GHAB COc1ccc([C@H](CNC(=O)COc2c(C)cccc2C)N2CCCC2)cc1 17911367 SIALBUJXRAVMSK-NRFANRHFSA-N 382.504 3.644 0 40 GHAB COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc4[nH]ccc4c3)c(=O)oc2c1 8764442 KSQXAZCOAQSTHG-UHFFFAOYSA-N 392.411 3.781 0 40 GHAB biogenic O=C(Cn1c(-c2ccc(F)cc2)csc1=O)N(Cc1ccccc1)C1CC1 95959062 CCOPOROGDBAQCL-UHFFFAOYSA-N 382.460 3.907 0 40 GHAB CCC[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCCC2)CC1 20142140 MNNNWKWJEIMUJC-QFIPXVFZSA-N 396.583 3.707 0 40 GHAB CC(C)C(NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)C(C)C 408702324 BGXDIRJLQINRTC-UHFFFAOYSA-N 388.533 3.926 0 40 GHAB CN(Cc1ccccc1)C(=O)CS(=O)(=O)Cc1c(Cl)cccc1Cl 32929789 NVRYOZGYHXURDB-UHFFFAOYSA-N 386.300 3.567 0 40 GHAB CC[C@H](C)[C@H](CO)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 30819209 LJWDERSGUITJBL-LIRRHRJNSA-N 379.456 3.905 0 40 GHAB CN(C(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1)C1CCCCC1 72327021 VBWMVTDZCYQMLK-ZAEZVXHUSA-N 381.520 3.766 0 40 GHAB O=C(Nc1nc(-c2cccnc2)cs1)C1CN(c2nc3ccccc3s2)C1 62023086 KACGUOWRRALXLQ-UHFFFAOYSA-N 393.497 3.890 0 40 GHAB Cc1nc2cccnc2n1[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 72366033 NPEJVSKYLKLCQT-HNNXBMFYSA-N 379.851 3.962 0 40 GHAB O[C@@H](COc1ccc(Cl)cc1)CN1CCN(c2ccccc2Cl)CC1 30350632 VXQKHWGXBIDUGR-MRXNPFEDSA-N 381.303 3.555 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@H](C)Cn3nc(C)nc3C)[C@H]3CCCC[C@H]32)cc1 72337845 WLHWAEMDYALJLU-DKGSKVKPSA-N 396.535 3.628 0 40 GHAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 224243020 SXCVTGDSNCGFHS-UHFFFAOYSA-N 390.892 3.748 0 40 GHAB COc1cccc(-c2noc(CNC(=O)COc3ccc4ccccc4c3)n2)c1 222838637 BMZBEORVVWFWLO-UHFFFAOYSA-N 389.411 3.594 0 40 GHAB CCN(CC)C(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224227605 SCLSJRFBSMKZJH-UHFFFAOYSA-N 380.897 3.647 0 40 GHAB CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCCOC(C)C)c1ccccc1 223336528 LKQCHKUANUZQLS-QFIPXVFZSA-N 382.504 3.708 0 40 GHAB CSc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1C(=O)N1CCC(C)CC1 225213708 CBERDDNWTGUJBM-OAHLLOKOSA-N 398.594 3.603 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc4ccccc34)c(C)cc21 223353609 NGBAADPPJYXCOB-UHFFFAOYSA-N 382.441 3.877 0 40 GHAB CCC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC1CCCC1 224761821 JTRSTJYWQZLKIT-ZDUSSCGKSA-N 381.314 3.635 0 40 GHAB Cc1cc(C)cc(OCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 224106400 BDLPSAYGNNUGME-HXUWFJFHSA-N 384.495 3.850 0 40 GHAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1 224641955 GMQVPZVEVFMXMY-IBGZPJMESA-N 394.515 3.932 0 40 GHAB O=C1CCCN1c1cccc(NC(=S)NCCOc2ccccc2Cl)c1 225780740 HAAXJQLRMOOWCN-UHFFFAOYSA-N 389.908 3.832 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1 223772120 NRWQWDFMWTZEOX-MRXNPFEDSA-N 388.508 3.612 0 40 GHAB COc1ccccc1O[C@H](C)C(=O)NCc1cccc(CN2CCCCC2)c1 224685251 PWWXOZDWMBWRIC-GOSISDBHSA-N 382.504 3.765 0 40 GHAB CCOc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)NC(C)(C)C)ccc1O 199427106 YONZVWOWKXLTMI-LJQANCHMSA-N 382.504 3.633 0 40 GHAB CSCC[C@H](NC(=O)CCn1ccc2ccccc21)c1nnc2ccccn12 96117073 CJDNRRWFEBBPDW-KRWDZBQOSA-N 393.516 3.685 0 40 GHAB O=C(C[C@H]1CC2(CCN(C(=O)CC3CC3)CC2)Oc2ccccc21)NC1CCC1 96243156 LVVDOEZSHDHPFT-SFHVURJKSA-N 396.531 3.773 0 40 GHAB CC(C)c1n[nH]c(=NCC2(c3cccc(Br)c3)CCOCC2)o1 581351116 MJKOBIACXHZNKL-UHFFFAOYSA-N 380.286 3.538 0 40 GHAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 244452664 ZCRDRDGHIKKODX-AWEZNQCLSA-N 377.271 3.971 0 40 GHAB CC(=O)N[C@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C2CCCCC2)CC1 257215357 CPSZZXCUBOXVFI-BQFCYCMXSA-N 377.554 3.823 0 40 GHAB CN(C)c1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)cn2cccc12 257313203 URJVTBICZBJGPJ-IBGZPJMESA-N 380.467 3.836 0 40 GHAB CCN(CC)C(=O)CN1CCO[C@H](c2cc(Cc3ccc(C)cc3)cc(C)n2)C1 257340119 ZEQHKCOFUSNHQH-QHCPKHFHSA-N 395.547 3.531 0 40 GHAB CCn1cnc2c(N[C@@H]3CCCCCN(C(=O)[C@@H](C)CC(C)C)C3)ncnc21 1615610092 AEDYLADRLKLSMJ-DLBZAZTESA-N 386.544 3.712 0 40 GHAB O=C(N1CC2(C[C@@H](OCc3ccccn3)CS2)C1)C12CC3CC(CC(C3)C1)C2 575404879 FGFGHAFIPXLQHU-MYZSEDEFSA-N 398.572 3.901 0 40 GHAB O=S(=O)(Nc1ccccc1-c1nc(C2CC2)n[nH]1)c1ccc(F)cc1Cl 26541276 SAFPDEMHAYZQKW-UHFFFAOYSA-N 392.843 3.942 0 40 GHAB Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)/C=C/CN(C)C)C2)n1 585293089 WPUQXVRHHFXALF-VQFGERMISA-N 393.535 3.661 0 40 GHAB COc1cc(NC(=O)c2csc(-c3ccco3)n2)ccc1N1CCCC1=O 29611122 QISXSKJUWDRDKW-UHFFFAOYSA-N 383.429 3.791 0 40 GHAB CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 32797458 LZKYKPMCOHGHOY-FQEVSTJZSA-N 388.423 3.707 0 40 GHAB CCc1ccccc1NC(=O)CN1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 37470625 WORQTSUKCIXXHZ-LJQANCHMSA-N 393.531 3.526 0 40 GHAB Cn1nc(-c2ccccc2)c2c(NC(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)[nH]nc21 514620865 DCGRXQHFRMPZJG-NEPJUHHUSA-N 377.370 3.881 0 40 GHAB Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 12117256 SLEBZBNHDKGOIS-UHFFFAOYSA-N 390.462 3.935 0 40 GHAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)Cc3ccccc3F)C2)on1 12118412 PLWGFKOYPZWXIJ-INIZCTEOSA-N 380.423 3.528 0 40 GHAB CN(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)C(C)(C)C)cc2)n1 12219834 ODMAPPJPGCSWEE-UHFFFAOYSA-N 389.503 3.934 0 40 GHAB COc1ccccc1C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 12238725 ZXPZQHCKWNZBLS-IBGZPJMESA-N 388.471 3.991 0 40 GHAB Clc1ccc(-c2[nH]ncc2CNC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 12569672 SXPMKLRVCDHCBL-OAQYLSRUSA-N 396.922 3.721 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1CCC(c2noc(-c3ccccn3)n2)CC1 12668565 KOZRPNJNBKUVPT-UHFFFAOYSA-N 382.851 3.734 0 40 GHAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)cc1OC 12918908 ZGJFBICAHROOCS-HNNXBMFYSA-N 396.487 3.993 0 40 GHAB Cc1cc2nc(COc3cccc(NC(=O)c4ccccc4C)c3)cc(=O)n2o1 13368473 VCAZDMPFIAAJKD-UHFFFAOYSA-N 389.411 3.736 0 40 GHAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Cl)cc3C)ccc21 13610211 GCZIXNCDLHXHHH-UHFFFAOYSA-N 378.881 3.613 0 40 GHAB CCCC[C@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 19502162 HQHPYWFZAPQPGI-LJQANCHMSA-N 388.585 3.574 0 40 GHAB O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CCC(C(F)(F)F)CC1 238872144 NEALFFVURJJFTR-UHFFFAOYSA-N 392.805 3.707 0 40 GHAB O=C(O)[C@@H]1CN(Cc2cc(C3CC3)no2)C[C@H]1c1ccc(Br)cc1 656755984 GASMCELHYQUERB-JKSUJKDBSA-N 391.265 3.615 0 40 GHAB Cc1ccc(-c2nc(NCCCN3CCOCC3)ncc2-c2ccsc2)o1 19216688 DSXOICMAJLEWNY-UHFFFAOYSA-N 384.505 3.908 0 40 GHAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H]1c1nc2ccccc2s1 6880805 WLROKDJXOMAVNX-QGZVFWFLSA-N 375.457 3.854 0 40 GHAB Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN3CCOCC3)nc2c1C 23695725 UFSXOLVPZJEHOF-UHFFFAOYSA-N 395.528 3.779 0 40 GHAB O=C(N[C@H](Cn1nccn1)c1ccccc1)c1cccc(Oc2ccccn2)c1 253401794 NMOLEZJUYPFDAC-HXUWFJFHSA-N 385.427 3.637 0 40 GHAB O=C(COc1ccccc1)N1CCN=C1SCc1c(F)cccc1Cl 4120162 HAGORSZUYQRPDZ-UHFFFAOYSA-N 378.856 3.990 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(OC)ccc(C)c2s1 4585763 PNMDJHNQIGMBEN-UHFFFAOYSA-N 390.486 3.659 0 40 GHAB O=C(CCOc1ccccc1)N1CCN(c2nc3ccc(F)cc3s2)CC1 4583452 DDGGFUBNWBNFBN-UHFFFAOYSA-N 385.464 3.553 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1ccc(C(F)(F)F)cc1 8843518 VFGPXTIWECARAY-ZDUSSCGKSA-N 398.410 3.871 0 40 GHAB COc1cccc2sc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)nc12 10253344 VTJPZFQKQJCKPV-UHFFFAOYSA-N 390.486 3.739 0 40 GHAB COc1ccc2c(c1)s/c(=N/C(=O)c1ccccc1Br)n2C 12139799 QGPNEZAJEAQWKK-FBMGVBCBSA-N 377.263 3.752 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2cnc3ccccc3n2)C1 12414727 UQSWDYVBVZCAMC-MRXNPFEDSA-N 380.879 3.816 0 40 GHAB CCOc1ccc(C(=O)NCc2c(-c3ccccc3)nc3n2CCS3)cc1 17307411 IEVGQUAEBFJEFQ-UHFFFAOYSA-N 379.485 3.985 0 40 GHAB O=C(Nc1cccc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)c1)c1ccco1 40088120 IVMALPMMUFGXJA-IBGZPJMESA-N 393.374 3.803 0 40 GHAB COC(=O)[C@@H](c1ccccc1Cl)N(C)Cc1ccccc1N1CCOCC1 40051356 UHOFSDAQGXUKGE-HXUWFJFHSA-N 388.895 3.523 0 40 GHAB O=C(O)CCCCCNC(=O)CCn1ccc2c(Br)cccc21 40309462 OFOUJOSJTCMPSB-UHFFFAOYSA-N 381.270 3.555 0 40 GHAB biogenic COc1cc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc(OC)c1 51364457 MDIOOLGVOSSBHS-LJQANCHMSA-N 390.439 3.862 0 40 GHAB CC(=O)Nc1ccc(NCC(=O)NCc2ccc(F)c(C)c2)c(C(F)(F)F)c1 32770319 VMPRGKAGMNIWKA-UHFFFAOYSA-N 397.372 3.840 0 40 GHAB CNC(=O)c1cccc(CNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c1 32816713 OGOSBIJHUBMFNQ-QGZVFWFLSA-N 388.467 3.797 0 40 GHAB O=C(CSc1nnnn1CCc1cccs1)c1ccc2c(c1)CCCC2 32858477 SVWBUQYVTOQNQG-UHFFFAOYSA-N 384.530 3.831 0 40 GHAB CC(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)N(C(C)C)C(C)C)CCCC2 21602459 COYFGFIEFJTNLN-CYBMUJFWSA-N 394.537 3.776 0 40 GHAB COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 692966 KXAISMOERYXGOW-UHFFFAOYSA-N 378.428 3.876 0 40 GHAB Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]2CCCO2)cc1 790371 KQNZWOYCJOUODA-NRFANRHFSA-N 390.483 3.966 0 40 GHAB CCOc1ccccc1C(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1 804695 TWSQDACABSTIRL-UHFFFAOYSA-N 399.472 3.797 0 40 GHAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)Nc4ccccc4)c(=O)c23)C1 1321014 JOHIVVVZONDSDJ-CYBMUJFWSA-N 396.516 3.643 0 40 GHAB Cc1c(C)c2ccc(OC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)cc2oc1=O 2147519 ANWFBYNWUFNWQN-MRXNPFEDSA-N 387.432 3.715 0 40 GHAB biogenic CC[C@@H](C)c1ccccc1NC(=O)COC(=O)Cc1ccc(OC)c(OC)c1 3230221 UWODJEIOFVBVIH-OAHLLOKOSA-N 385.460 3.942 0 40 GHAB Cc1ccc(C)c(COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1 3405073 FFILIPPOTUQMCD-UHFFFAOYSA-N 381.881 3.564 0 40 GHAB O=C(Cc1cccs1)N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 3614758 PXJQCVILVJWXSI-HXUWFJFHSA-N 394.452 3.516 0 40 GHAB Cc1cc2cc(CNS(=O)(=O)c3ccc(Br)cc3)ccc2n1C 4061592 ASMXMFNJGLYVNM-UHFFFAOYSA-N 393.306 3.728 0 40 GHAB COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1OC 4305097 CVSPNFXZCMHWPY-LJQANCHMSA-N 392.455 3.831 0 40 GHAB CCCCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N)cc1 4586001 SMLSSBVYGSKCFL-UHFFFAOYSA-N 387.534 3.794 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 4682040 GEHBXDFTJJCSPT-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB CC(C)CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccccc1 4890157 FMFOZDBEXFWOIF-KRWDZBQOSA-N 388.537 3.682 0 40 GHAB COc1cccc(C(=O)NCCc2csc(-c3ccc(F)cc3)n2)c1OC 5146271 MDQJXHRCTDJRPW-UHFFFAOYSA-N 386.448 3.939 0 40 GHAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2F)no1 5205696 MDDHUXPBNRFUMQ-SFHVURJKSA-N 376.343 3.978 0 40 GHAB COC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 5303483 IAJBOSCQSGWREO-INIZCTEOSA-N 382.420 3.599 0 40 GHAB CC(C)CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 5375233 OFGRNOVPPRIMAO-UHFFFAOYSA-N 390.480 3.952 0 40 GHAB Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1N1CCCCS1(=O)=O 5439490 GLGWTIAUZZXJMW-UHFFFAOYSA-N 392.908 3.508 0 40 GHAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(OCc2ccccc2)cc1 5453144 NLZCIJXPRMQSTR-UHFFFAOYSA-N 385.423 3.614 0 40 GHAB Cc1ccc2cc(CN(CCCN(C)C)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 5906883 FRBRGXXJJJKVTA-UHFFFAOYSA-N 398.551 3.633 0 40 GHAB CSCCC(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 6002127 HETYQHRQALZZLZ-UHFFFAOYSA-N 388.489 3.918 0 40 GHAB CCCCCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 6597118 KMYBSBCAOLDMAN-UHFFFAOYSA-N 392.496 3.636 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 6624140 YEGSWDGAULXLSV-OAHLLOKOSA-N 397.471 3.652 0 40 GHAB biogenic Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cs1 6680882 KNJMYHAICBFXDL-ZDUSSCGKSA-N 378.519 3.729 0 40 GHAB COc1ccccc1C(=O)NCC(=O)Nc1ccc(Oc2ccccc2)cc1 6790817 ZRPVJRLSJVPNGH-UHFFFAOYSA-N 376.412 3.856 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1OCc1ccc(F)cc1 6833018 JZHSGWQHHKFKAQ-GOSISDBHSA-N 393.414 3.975 0 40 GHAB Cc1cc(OCC(=O)NC[C@H](c2ccco2)N2CCCCC2)ccc1Cl 7406376 AVCIEMQKPHKKBF-GOSISDBHSA-N 376.884 3.964 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 7881416 KKXVDAMNERIHGF-PKOBYXMFSA-N 379.456 3.779 0 40 GHAB COc1ccc(CC(=O)Nc2cccc(I)c2)cc1F 7920940 NDKSLPCLOCIYLF-UHFFFAOYSA-N 385.176 3.620 0 40 GHAB COc1ccc(C)cc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8073221 FULHLAPHNOJFIJ-LJQANCHMSA-N 396.487 3.941 0 40 GHAB CCN1CCN(c2ccc(NC(=O)CN3CCC[C@@H]3c3cccs3)cc2)CC1 8165672 KGIDAMYGLXBYLK-HXUWFJFHSA-N 398.576 3.666 0 40 GHAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc(N2CCCCC2)cc1 8232347 PCUINNNCUOSKLP-UHFFFAOYSA-N 392.503 3.854 0 40 GHAB c1ccc(-c2nnn(CN3CCC(c4nc5ccccc5s4)CC3)n2)cc1 8325089 UFSDQORUWJNMJL-UHFFFAOYSA-N 376.489 3.787 0 40 GHAB Cn1c(SCC(=O)N2CCC[C@H]3CCCC[C@@H]32)nnc1-c1ccc(F)cc1 8473118 NLGRFMMWTZDOMO-PBHICJAKSA-N 388.512 3.895 0 40 GHAB COc1cccc(Nc2nc(N)nc(CSc3nc4ccccc4o3)n2)c1 9096622 NQSQYAJSUWSBMG-UHFFFAOYSA-N 380.433 3.640 0 40 GHAB COc1ccc(CCN2C(=O)C/C(=C/c3c[nH]c4ccccc34)C2=O)cc1OC 9302667 IAQLARNYRFRZIU-VBKFSLOCSA-N 390.439 3.570 0 40 GHAB CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCc3cccnc3)ccc12 9450566 SFYVDZAZINYWSK-INIZCTEOSA-N 394.471 3.923 0 40 GHAB biogenic O=C(C[C@@H]1C(=O)Oc2ccccc2N1C(=O)c1ccccc1)Nc1ccccc1 9926877 GDSWVAPQUHKYQC-LJQANCHMSA-N 386.407 3.650 0 40 GHAB CC(C)c1ccc(C(=O)COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 10242385 XISGWYBUFNCLNK-UHFFFAOYSA-N 394.876 3.907 0 40 GHAB CCN1C(=O)N[C@@H](c2c(F)cccc2Cl)C(C(=O)Nc2cc(C)on2)=C1C 10353461 NQPPSKCXYQNRRW-MRXNPFEDSA-N 392.818 3.774 0 40 GHAB C[C@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 10544112 HOLGDQLYFNAQHI-OKILXGFUSA-N 393.380 3.781 0 40 GHAB COc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)N2CCCC2)cc1 12063018 QHFSUPWPRJWVEK-FQEVSTJZSA-N 388.895 3.681 0 40 GHAB CCc1cccc2c(CC(=O)N(CCN(C)C)Cc3cccnc3)c(C)[nH]c12 12222266 YDVBHDCKRFWRHP-UHFFFAOYSA-N 378.520 3.567 0 40 GHAB COc1cc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc(OC)c1 12780769 MEPMRVNMVVDWDT-ZGKFYVQTSA-N 394.471 3.594 0 40 GHAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)/C=C/c1cccs1 12852932 GNHWRZIVHIDMFR-CMDGGOBGSA-N 382.407 3.712 0 40 GHAB Cc1ccc(NC(=O)CCCNC(=O)c2cccs2)c(Br)c1 12911723 XVVOKVOYZIGERP-UHFFFAOYSA-N 381.295 3.968 0 40 GHAB Cc1sc(-n2c(C)ccc2C)c(C(=O)N2CCN(c3ncccn3)CC2)c1C 12972474 WCIVYWPHYJKODD-UHFFFAOYSA-N 395.532 3.525 0 40 GHAB CSc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCCCO4)CC2=O)cc1 12980294 UVXRKCXYTSEDFO-CQSZACIVSA-N 398.484 3.561 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 13011922 RJBPCOKLVPYLMC-MRXNPFEDSA-N 381.476 3.817 0 40 GHAB COc1ccccc1N1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1 15627816 RLSKDWQJPQRDBV-UHFFFAOYSA-N 399.541 3.772 0 40 GHAB Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)n(-c2nc3ccccc3s2)n1 16851013 LWJPSCRZHMGUBR-UHFFFAOYSA-N 392.440 3.814 0 40 GHAB COc1ccc([C@@H]2CC(=O)c3cn4nc(-c5ccc(F)cc5)nc4nc3C2)cc1 17079247 ALMJXOPAVHKYPU-HNNXBMFYSA-N 388.402 3.852 0 40 GHAB Cn1cc(C(=O)Nc2cccc(Cl)c2)c2nn(-c3ccccc3)c(=O)c-2c1 17149129 QMTLUXQFMBVYQC-UHFFFAOYSA-N 378.819 3.582 0 40 GHAB COc1cc(/C=C/C(=O)OC/C=C\c2ccc3c(c2)OCO3)cc(OC)c1OC 17315578 XSDSFWOIAZLXLB-XEQCUQEESA-N 398.411 3.711 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1cnc(C)nc1)CC2 19287252 VYJVALJMKASHII-QHCPKHFHSA-N 375.472 3.950 0 40 GHAB NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccccc2)C1 19368642 QIMQLWCSMNXEQE-QHCPKHFHSA-N 390.508 3.975 0 40 GHAB c1ccc(C[C@H]2CN3CCC[C@H]3CN2Cc2cncn2Cc2ccccc2)cc1 19372777 PNARBDWRYZXVJP-ZEQRLZLVSA-N 386.543 3.823 0 40 GHAB CCCC(=O)N1CCN(C)C(=O)[C@H](Cc2ccccc2-c2ccccc2OC)C1 19501444 GVNPEOKRDNHMSH-LJQANCHMSA-N 394.515 3.622 0 40 GHAB CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)n1 19525809 DMHSJUKMNXQPNA-QGZVFWFLSA-N 379.508 3.882 0 40 GHAB Cc1nccn1Cc1ccccc1NC(=O)[C@@]1(C)CC(c2ccccc2F)=NO1 19660929 IHPFEDRFHBRFIR-JOCHJYFZSA-N 392.434 3.901 0 40 GHAB O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CC12CCN(C(=O)C1=CCCC1)CC2 19772249 MOEFDZWQFCVMEB-HXUWFJFHSA-N 390.487 3.550 0 40 GHAB O=C(Nc1c(F)cccc1F)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20489032 QQOKDZVKYVACNX-UHFFFAOYSA-N 394.443 3.533 0 40 GHAB COc1cccc2sc(NC(=O)C[C@H](NC(C)=O)c3cccs3)nc12 21444498 IACQXKJPGKCLCV-NSHDSACASA-N 375.475 3.572 0 40 GHAB C[S@](=O)Cc1cccc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)c1 21551809 HSMNIYWUCNZNSO-AREMUKBSSA-N 394.876 3.737 0 40 GHAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 22526139 LDRMNMMCAQIZII-OLZOCXBDSA-N 398.887 3.511 0 40 GHAB COc1ccc([C@H](CNC(=O)c2cccc3ccccc23)N2CCOCC2)cc1 22686335 WJSBEYWEYFUBRU-QHCPKHFHSA-N 390.483 3.652 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NCc1nc(-c2cccs2)no1 24577013 CTKYLMYIJVWUDL-UHFFFAOYSA-N 384.244 3.800 0 40 GHAB Cc1ccc(CNC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1 24742148 YMQKZCWNAHLJRF-UHFFFAOYSA-N 386.805 3.974 0 40 GHAB O=C(CCSc1nccc(C(F)(F)F)n1)NCc1ccccc1Cl 24927831 XVYDUOFBQKBPEI-UHFFFAOYSA-N 375.803 3.947 0 40 GHAB CCOc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N(C)C)cc1 28296062 DWWLVZSEIPDJRP-FQEVSTJZSA-N 379.460 3.773 0 40 GHAB CC(C)[C@@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccc(F)cc1 29448322 AIJPUJXEMBAMDK-LJQANCHMSA-N 393.418 3.795 0 40 GHAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCN(C/C=C/c2ccccc2)CC1 32095817 RRZLQDIPDMLXKN-BWAMLYQTSA-N 389.499 3.933 0 40 GHAB CCOc1ccc(NC(=O)c2c(-c3ccc(OC)cc3)nnn2CSC)cc1 32611859 URGABTGMQXWPLN-UHFFFAOYSA-N 398.488 3.925 0 40 GHAB CCc1nn2c(=O)cc(CN(Cc3c(F)cccc3Cl)C3CC3)nc2s1 32836276 MZJYAUCZPKMPDY-UHFFFAOYSA-N 392.887 3.671 0 40 GHAB C[C@@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 32842003 CVOQKGOFBSUEEB-ZDUSSCGKSA-N 394.452 3.971 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)CCCOc1ccc(F)cc1 32929858 RVEQVVIQROFQFY-CYBMUJFWSA-N 399.871 3.690 0 40 GHAB CCOc1ccccc1NC(=O)CSCc1cc(=O)c2cccc(OC)c2[nH]1 33064266 IPAJADWXOXIAMF-UHFFFAOYSA-N 398.484 3.807 0 40 GHAB Cc1nc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)sc1-c1ccccn1 33164526 BHPPFYSEURKYRT-INIZCTEOSA-N 382.420 3.784 0 40 GHAB O=C1C[C@H](N2CCC[C@H](c3nc4ccccc4s3)C2)C(=O)N1c1ccccc1 36390403 XNHGRUFQMFHVIX-YJBOKZPZSA-N 391.496 3.808 0 40 GHAB COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1COc1ccc2c(c1)CCC2 36612335 ZKMRWIFLXLNFGU-ICSRJNTNSA-N 385.485 3.551 0 40 GHAB Nc1ccc(NC(=O)Cc2ccc(Br)cc2)c(Br)c1 36738538 ZMMRLBSILBVJLW-UHFFFAOYSA-N 384.071 3.975 0 40 GHAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCCOc1ccccc1 36743890 WHHMZMPZKPXRPK-QFIPXVFZSA-N 388.467 3.743 0 40 GHAB O=C(Nc1nc2ccccc2s1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 40134493 IXPJRINVWZORFQ-UHFFFAOYSA-N 382.420 3.553 0 40 GHAB CS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)CCCCCC3)cc1 43068180 KELOXFMZOHNUNV-UHFFFAOYSA-N 377.531 3.741 0 40 GHAB Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCC(C)(C)N(C)C 48681316 ALKUUKVPTZWRFG-UHFFFAOYSA-N 379.346 3.681 0 40 GHAB Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(Oc3ccccc3)cc1)CCCC2 49404679 KAOLPMSRLYWJKE-UHFFFAOYSA-N 389.455 3.862 0 40 GHAB CC(C)c1ccc(C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1 49951152 QNXQIKBGVCLDBG-LDADJPATSA-N 395.484 3.671 0 40 GHAB CCc1cccc(C)c1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CC 57521929 RDHHLPVRIRIKKM-UHFFFAOYSA-N 384.505 3.655 0 40 GHAB C[C@H]1CCCN(C(=O)CN2N=C(C(C)(C)C)Cn3c(cc4ccccc43)C2=O)C1 57720523 NOMMHRDYXBLYOE-INIZCTEOSA-N 394.519 3.758 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2ncccc2C)cc1 60657416 GQRMPZDSDAQOCN-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB O=S(=O)(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)N1CCCCC1 63187523 UAKQRCXHKAFKBP-UHFFFAOYSA-N 390.471 3.838 0 40 GHAB Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1Cc1ccccn1 67259367 IIUNXBCLSSNQQA-UHFFFAOYSA-N 378.457 3.737 0 40 GHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCc2sccc2[C@H]1C 67917500 YAIPCWPWMWOFKR-XIKOKIGWSA-N 392.471 3.927 0 40 GHAB COc1cccc2cc(C(=O)NC[C@@](O)(c3ccccc3)C(F)(F)F)oc12 70636420 WLFATKKBJPLSOX-GOSISDBHSA-N 379.334 3.621 0 40 GHAB COC(=O)c1ccc(-c2ccc([C@H]3CC(O)=Nc4c3c(=O)[nH]n4C(C)C)o2)cc1 71282536 PYPLNKWERFIPQD-CQSZACIVSA-N 395.415 3.928 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccccc1-n1cccn1 71836796 JMDBVSAYVBQELL-UHFFFAOYSA-N 379.508 3.591 0 40 GHAB COc1ccc(C2(c3nnc(Cc4ccccc4OC)o3)CCOCC2)cc1 71889967 PZTKPMPGLXOFKK-UHFFFAOYSA-N 380.444 3.774 0 40 GHAB O=C(NC1CCCC1)c1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n[nH]1 72380668 DHSQYCDHIWVXHT-HXUWFJFHSA-N 398.482 3.518 0 40 GHAB CC(=O)c1c(C)cc(C)c(C[S@@](=O)[C@H](C)C(=O)N2CCCCCC2)c1C 75472133 XQQLLBLYJMZRAQ-DWXRJYCRSA-N 377.550 3.854 0 40 GHAB O=C(Cc1ccccc1Cl)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2 77101205 JCTHHFDPBMCWGL-UHFFFAOYSA-N 397.828 3.929 0 40 GHAB O=C(OC1CCC1)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 78989187 VKIGKMAFXCIDPP-GFCCVEGCSA-N 384.245 3.536 0 40 GHAB Cc1nnc(SCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)s1 84296737 GEZXHSVTYOATRX-OAHLLOKOSA-N 396.969 3.545 0 40 GHAB Cc1ccccc1-c1cc2c(=O)n(Cc3ccc(N4CCCC4=O)cc3)ccn2n1 90610205 KJVHGEFZXUPWCU-UHFFFAOYSA-N 398.466 3.647 0 40 GHAB CC(C)Cn1ncc(Nc2ncnc3c2c(Br)nn3C)c1C(C)C 95452082 AYQNCNMGFJTXNR-UHFFFAOYSA-N 392.305 3.845 0 40 GHAB F[C@@H]1CN(Cc2cccnc2)C[C@@H]1OCc1nc2cc(C(F)(F)F)ccc2[nH]1 96112249 LMEAAGGZAZBCBA-PBHICJAKSA-N 394.372 3.716 0 40 GHAB biogenic,in-vitro C/C(=C\C(=O)N[C@@H]1CCCN(c2ncccn2)C1)C12CC3CC(CC(C3)C1)C2 96133997 QAZKXJHBTDCHDN-OGHXQHQOSA-N 380.536 3.724 0 40 GHAB CC(C)c1nc(-c2cc(C(=O)N3CC[C@@H](N(C)C)C3)c3ccccn23)cs1 96154846 LTIHRQAUUZWDCX-OAHLLOKOSA-N 382.533 3.962 0 40 GHAB O=C(c1c[nH]c2ccccc12)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211867 PAMUFYWYPCRGJF-UHFFFAOYSA-N 377.473 3.582 0 40 GHAB COCc1nn2c(O)cc([C@@H](C)Cn3nccc3C)nc2c1-c1ccc(C)cc1 100775667 AOHAMVIVRYEQMJ-HNNXBMFYSA-N 391.475 3.865 0 40 GHAB COC(=O)c1cn(C2CCCCCC2)cc2c(=O)n(-c3ccc(OC)cc3)nc1-2 101714275 IAZHVLVGNMBACP-UHFFFAOYSA-N 395.459 3.829 0 40 GHAB O=C1CCc2cc(C(=O)NCC3(c4ccccc4Cl)CCOCC3)ccc2N1 106061149 GAVRNMHWNHFCGE-UHFFFAOYSA-N 398.890 3.703 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1ccc(NCCC2=CCCCC2)c(C(=O)O)c1 217558446 DPIBQFXKWHVZNB-CQSZACIVSA-N 380.510 3.764 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1C 219979465 UFQZRLZUBYNHHH-KRWDZBQOSA-N 386.517 3.579 0 40 GHAB CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 223054498 JZAQHIJRPDRAII-HXUWFJFHSA-N 386.517 3.818 0 40 GHAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 223630374 YVTZEODJBXSQBM-WOJBJXKFSA-N 397.475 3.836 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(CC)cc1 224000970 OVLIHIMLIPNLNF-SFHVURJKSA-N 396.531 3.744 0 40 GHAB CCCC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC(C)(C)C 224156059 UHFLNWIPHJWDGM-ZDUSSCGKSA-N 383.330 3.881 0 40 GHAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)C1(c2ccccc2)CCOCC1 225551062 KPDSNUGDOGYSJZ-LJQANCHMSA-N 378.516 3.692 0 40 GHAB COC(=O)c1ccc(C)c(NC(=S)NCc2nc(-c3cccc(C)c3)no2)c1 225814776 HUNVAWXMNNRLSI-UHFFFAOYSA-N 396.472 3.627 0 40 GHAB Cn1cncc1-c1cccc(CC2CCN(C(=O)c3cccc(F)c3)CC2)n1 257238464 HLCJVBVFJZQNJS-UHFFFAOYSA-N 378.451 3.716 0 40 GHAB CN1CCN(C(=O)C2CCCCC2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 257239530 HPTBXQLMYYGDLX-JOCHJYFZSA-N 391.515 3.541 0 40 GHAB Cc1nccc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)n1 257264123 LTAPHBLKWFKLPK-MRXNPFEDSA-N 380.423 3.523 0 40 GHAB O=C(c1ncccn1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257285843 PJDIVPVRWZYQAH-HNNXBMFYSA-N 382.851 3.729 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@](C)(c3ncc(Cc4ccccc4F)o3)C2)cn1 257292996 QNTDKAZSFPJSMH-JOCHJYFZSA-N 394.450 3.697 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)c2)cc1 408594530 HZKIWDWQYLXXEH-UHFFFAOYSA-N 379.279 3.893 0 40 GHAB COc1cc(NC(=S)NC(=O)C(C)(C)C)ccc1NC(=O)c1cccs1 408624823 CFQULJFHXIZDSZ-UHFFFAOYSA-N 391.518 3.868 0 40 GHAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(-c2ccccc2)[nH]n1 408713100 KGLUKFXRXYGECJ-UHFFFAOYSA-N 377.853 3.930 0 40 GHAB CCOc1cc(OCC)c(/C=C2\SC(=O)N(C)C2=O)cc1Br 408809803 JHTYRWIUZKVMGA-QPEQYQDCSA-N 386.267 3.913 0 40 GHAB O=C1S[C@@H](Cc2cc3c(cc2Cl)OCO3)C(=O)N1Cc1ccccc1 409142219 CHVXHWVPHQZNDG-INIZCTEOSA-N 375.833 3.875 0 40 GHAB FC(F)(F)c1cc(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)[nH]n1 519668758 GSRCCKJSNLCVHX-ZDUSSCGKSA-N 382.434 3.974 0 40 GHAB CCN1CCC(N(c2ccccc2)S(=O)(=O)c2cnc(C3CC3)s2)CC1 585098009 GNHREDNBYZBFNQ-UHFFFAOYSA-N 391.562 3.700 0 40 GHAB CC(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccco1)C2 585106620 CXXJZAOOJROWCL-QFIPXVFZSA-N 376.460 3.683 0 40 GHAB C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccnc(-c2cccc(Br)c2)n1 585138308 CWRROSGIRWOXOP-IAQYHMDHSA-N 388.265 3.850 0 40 GHAB Cc1cccc(OCc2nc(N3CCc4ccccc4C3)ncc2C(=O)O)c1 585265475 MVZLBLASARUDBB-UHFFFAOYSA-N 375.428 3.625 0 40 GHAB O=C(NCc1cccc(-c2cccnc2)c1)N1CC2(CCOCC2)[C@H]1C1CC1 655809486 ZSEUGOAQSXRCOC-OAQYLSRUSA-N 377.488 3.849 0 40 GHAB C[C@@H](C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccccc1 1128185234 CEWKLUTVIQRRTO-CJNGLKHVSA-N 376.378 3.731 0 40 GHAB O=C(c1csc(Br)n1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 1141442898 UAODALRZXIHFEM-NSHDSACASA-N 387.686 3.853 0 40 GHAB Cn1ncnc1-c1c(-c2ccc(F)cc2)[nH]c2cc(F)cc3c(O)nnc1c23 1560411729 INWYMBQFSOPZAP-UHFFFAOYSA-N 378.342 3.557 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)cc1C 1615157669 LQOPLLAZKMOPHN-DEOSSOPVSA-N 392.499 3.732 0 40 GHAB Cc1ccc(C(=O)c2cn(CC(C)C)c3cc4c(cc3c2=O)OCCO4)cc1 1889062007 TYSNSTBPPXBXKM-UHFFFAOYSA-N 377.440 3.968 0 40 GHAB CC(=O)Nc1ccc(C(=O)N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)cc1 1889273842 VIYRYJRWAJKETJ-UHFFFAOYSA-N 390.487 3.989 0 40 GHAB CC(=O)N1CCC[C@]1(Cc1ccccc1-c1ccccc1)C(=O)NCC(F)F 2037834608 USBQSLFJUGRWPX-QFIPXVFZSA-N 386.442 3.659 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccco2)nn1-c1ccccc1 734552 NJVPFDOGKOREGS-UHFFFAOYSA-N 387.395 3.791 0 40 GHAB Cc1cccc(-n2c(SCC(=O)N3CCCC3)nc3ccccc3c2=O)c1C 920395 IGDXCRPCZOZMRI-UHFFFAOYSA-N 393.512 3.717 0 40 GHAB O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)Nc1ccc(F)cc1 1371459 ZGAIPPDHORVNGN-UHFFFAOYSA-N 394.497 3.927 0 40 GHAB COc1ccc(CS(=O)(=O)C[C@@](C)(O)c2ccc(Cl)c(Cl)c2)cc1 1388766 UJKOBOLMEBTGDZ-QGZVFWFLSA-N 389.300 3.825 0 40 GHAB CCOC(=O)C(Cc1cccc(F)c1)(Cc1cccc(F)c1)C(=O)OCC 1682845 UPLDABVLMSIXEY-UHFFFAOYSA-N 376.399 3.863 0 40 GHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1ccccc1F 1961421 HXXIGKOSHUEXNK-UHFFFAOYSA-N 379.416 3.903 0 40 GHAB CC[C@@H](c1ccc(S(=O)(=O)O)cc1)[C@@H](CC)c1ccc(S(=O)(=O)O)cc1 2019601 VVNNCRNANKENRU-ROUUACIJSA-N 398.502 3.867 0 40 GHAB COc1ccc(OC)c(/C=C/[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)c1 2136768 HCADPIFLFPOREN-BREAQWACSA-N 378.472 3.649 0 40 GHAB biogenic COc1ccc(-n2c(NC[C@@H](C)O)nc3sc4c(c3c2=O)CCCCC4)cc1 2326971 CWLWUNFCYKXRJH-CYBMUJFWSA-N 399.516 3.517 0 40 GHAB Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccn1 2379685 RFXKDZKWKZREMW-UHFFFAOYSA-N 394.287 3.915 0 40 GHAB S=C(Nc1ccccn1)c1sc(N2CCOCC2)nc1-c1cccs1 2659897 POWHAJMREGGJNO-UHFFFAOYSA-N 388.543 3.891 0 40 GHAB CSCC[C@H](NC(=O)c1ccccc1C)C(=O)Nc1ccc(F)c(F)c1 3341832 FLWNXDDIYVTTDM-KRWDZBQOSA-N 378.444 3.763 0 40 GHAB Cc1ccc(CNC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1 3504502 HEQWDJLCIQLDJA-UHFFFAOYSA-N 387.435 3.699 0 40 GHAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(NC(=O)C(C)C)scc12 4121258 YATGJQYIROQETF-UHFFFAOYSA-N 399.472 3.527 0 40 GHAB CCC(=O)N1N=C(c2cccc(NS(=O)(=O)CC)c2)C[C@H]1c1ccccc1 4148355 GTCKMYYFMKLSHY-IBGZPJMESA-N 385.489 3.536 0 40 GHAB COc1ccc(C)c2sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12 4292224 WQKGASWMQZVXEH-UHFFFAOYSA-N 395.440 3.519 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)o2)cc1 4575800 HLDLBIREFZNIGM-GDBMZVCRSA-N 375.494 3.744 0 40 GHAB Cc1ccccc1C1=N/C(=C\c2cc3c(cc2Br)OCO3)C(=O)O1 4578040 ALDFJWLOVHNXKW-NSIKDUERSA-N 386.201 3.831 0 40 GHAB CCOc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 4852884 DYNOSTCVFRMHPW-UWJYYQICSA-N 382.416 3.642 0 40 GHAB CC(C)(C)c1ccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)CC(=O)N3)cc1 5151551 HYQLDYPYAAUFMB-QGZVFWFLSA-N 389.459 3.760 0 40 GHAB CCOC(=O)c1c(NC(=O)CSc2nncn2C(C)C)sc(C)c1CC 5417065 ONRSUYPOBVPVBC-UHFFFAOYSA-N 396.538 3.699 0 40 GHAB Cc1cc(C)n(-c2nc(NCCCN(C)C)c3c4c(sc3n2)CCCC4)n1 5577278 OBYWVKBVUSCYQS-UHFFFAOYSA-N 384.553 3.736 0 40 GHAB COc1cc(CC(=O)Oc2ccccc2Br)cc(OC)c1OC 6151732 MNDFTLFVHDTCEY-UHFFFAOYSA-N 381.222 3.623 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)/C=C/c1ccc2ccccc2n1 6654163 WAONKPWOEYEMME-BUHFOSPRSA-N 391.446 3.552 0 40 GHAB COc1ccc(NC(=O)Cc2c(C)c3c(OC)cc(C)cc3oc2=O)c(OC)c1 6660882 BBOMOVYXEUMFGR-UHFFFAOYSA-N 397.427 3.617 0 40 GHAB CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2Oc2ccccc2)C1 7436954 MZUQIJMPDIQDMN-KRWDZBQOSA-N 382.460 3.693 0 40 GHAB CN(Cc1cc(=O)n2cc(Br)ccc2n1)Cc1ccccc1Cl 7929609 RQHXBMHTUPRCMD-UHFFFAOYSA-N 392.684 3.742 0 40 GHAB COc1cc(C)c(CN(C)[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OC 8157379 SUHAAHLAVXXBOK-MRXNPFEDSA-N 385.508 3.537 0 40 GHAB Cc1ccc(C)c(OCCCN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1 8328330 YIPVOPZRSIWEOW-HSZRJFAPSA-N 378.472 3.856 0 40 GHAB O=C(Nc1ccccc1N1CCCCC1)[C@H]1CC(=O)N(c2ccccc2F)C1 8391983 LETWNSOUXQNFQQ-INIZCTEOSA-N 381.451 3.808 0 40 GHAB Cc1c(N2C(=O)[C@@H](C)S[C@@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C 8716661 LZHQPYAIXDKIFL-BFUOFWGJSA-N 385.514 3.713 0 40 GHAB C[C@@H](Sc1nnc(Nc2ccccc2Cl)s1)C(=O)NC[C@H]1CCCO1 8745620 QQUMMQJFHOKTCH-GHMZBOCLSA-N 398.941 3.711 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2c(C)cc(C)cc21 9319501 VGXVCMAKFCJCTD-OAQYLSRUSA-N 387.863 3.549 0 40 GHAB C[C@@H](OC(=O)CCNC(=O)Nc1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2 9621792 HTDCNGWCJCEDGU-LRYXAPPNSA-N 398.503 3.915 0 40 GHAB O=C(CNc1ccccc1C(=O)NC1CC1)Nc1ccc(C(F)(F)F)cc1 10754870 CHOKRMHZROJXDK-UHFFFAOYSA-N 377.366 3.648 0 40 GHAB CC(C)(C)c1ccc(C(=O)NCCNc2ccc(Nc3cccnc3)nn2)cc1 11796930 JGFKJRXRFBWPJC-UHFFFAOYSA-N 390.491 3.755 0 40 GHAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)NCc3ccccc3)C2)on1 12118374 CVKWQELHLCVUKA-KRWDZBQOSA-N 377.448 3.529 0 40 GHAB Cc1cc(C)c2cc(CNc3ccc(N4CCC(O)CC4)cc3)c(=O)[nH]c2c1 12143583 PFPZOKHDTRVKEU-UHFFFAOYSA-N 377.488 3.718 0 40 GHAB O=C(CCC1CCCCC1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 12443220 XMCHVNDWPUAJQA-UHFFFAOYSA-N 393.491 3.647 0 40 GHAB C[C@@H]1Oc2ccc(N[C@@H](C(=O)N3CCCCC3)c3ccccc3)cc2NC1=O 12550591 PGMOTMBIHWFDQJ-MGPUTAFESA-N 379.460 3.572 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cc1 12604866 PTFPBSXVWYZXDN-CALCHBBNSA-N 386.517 3.914 0 40 GHAB CC(=O)Nc1ccc(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 12622200 WJDRKMJAPNSZFO-UHFFFAOYSA-N 377.444 3.735 0 40 GHAB Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1 12774381 AFYLCKPKKDIHEX-UHFFFAOYSA-N 382.485 3.764 0 40 GHAB CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 12785417 ZPAFZBVPYBCDOD-SFHVURJKSA-N 388.414 3.828 0 40 GHAB CCc1sc(C(=O)NCC(=O)NCCSCc2ccccc2F)cc1C 12947497 VYFLGINMTJEYQW-UHFFFAOYSA-N 394.537 3.537 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2ccccc2OCc2cccc(C)c2)CC1 12971443 INHILNVFFNNZJX-UHFFFAOYSA-N 396.487 3.925 0 40 GHAB CNC(=O)c1ccc(CN(C)C(=O)C2c3ccccc3Oc3ccccc32)cc1 13002010 VUALEYNUIAWOSJ-UHFFFAOYSA-N 386.451 3.942 0 40 GHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc21 13610515 DVQXHKWNDRTSAQ-UHFFFAOYSA-N 386.517 3.966 0 40 GHAB O=C(c1ccc2nc(C(F)(F)F)[nH]c2c1)N1CCO[C@@H](c2ccccc2)C1 13719387 UHRPMDAVZHBEQI-MRXNPFEDSA-N 375.350 3.795 0 40 GHAB C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 15796732 WHYXZMSROVRJEZ-QGZVFWFLSA-N 398.528 3.843 0 40 GHAB Cc1sc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)nc1-c1ccc(F)cc1 15940401 ZMDBBRZGNBAGSH-SCLBCKFNSA-N 391.493 3.650 0 40 GHAB O=c1/c(=C/c2ccccc2F)sc2nc(/C=C/c3ccc(Cl)cc3)nn12 16734955 ACNGMRPWEMQDAD-CRWKAAGYSA-N 383.835 3.662 0 40 GHAB NC(=O)c1ccccc1NC(=O)Cc1csc(Nc2cccc(Cl)c2)n1 16850370 CMPAFFBLNSJXBC-UHFFFAOYSA-N 386.864 3.820 0 40 GHAB COc1cc(C)c(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1OC 17579173 GCVFHFAKNCQYGP-HXUWFJFHSA-N 384.457 3.580 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)cc2C)cc1 18076979 FFBBHWIRIDVTFJ-UHFFFAOYSA-N 388.533 3.905 0 40 GHAB O=C(c1cccnc1)N1CCC([C@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 19696246 MARMEOFPELVOLP-JOCHJYFZSA-N 389.499 3.539 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3CN3CCCC3)nn2C)cc1 19716161 FCEKHICPMISWOS-UHFFFAOYSA-N 390.487 3.944 0 40 GHAB O=C(COc1ccccc1)NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl 20153580 DQXQWTOCUWDPDK-UHFFFAOYSA-N 399.255 3.584 0 40 GHAB COc1cc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1C 21928000 UFTMDMOADLAFHQ-UHFFFAOYSA-N 392.421 3.980 0 40 GHAB CN(C)[C@H](CNC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccco1 22381626 TYNWJDWBHNSHQI-OAHLLOKOSA-N 389.402 3.565 0 40 GHAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)c1 22475015 OGAGBYCNQSUFMR-UHFFFAOYSA-N 391.392 3.840 0 40 GHAB C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccccc1 22832708 NHRVBNQURRAXTF-UWJYYQICSA-N 388.467 3.767 0 40 GHAB c1coc(-c2nc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)no2)c1 23038056 RTCGEJBLEXVROI-ZDUSSCGKSA-N 384.373 3.517 0 40 GHAB O=C(Nc1ccccc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610587 CSDICQPRPSBUMG-UHFFFAOYSA-N 392.908 3.521 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N(C)Cc1ccc(C)cc1C 24813761 LEOJOTRDHXDDFS-MRXNPFEDSA-N 383.492 3.729 0 40 GHAB O=C(CN1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)NC1CCCCC1 26602706 ZZWMWGCWVXDXJQ-KRWDZBQOSA-N 398.334 3.845 0 40 GHAB CCCNc1nnc(S[C@H](C)C(=O)NCCc2c[nH]c3ccccc23)s1 26976700 VPRIOCDPEZUEKT-GFCCVEGCSA-N 389.550 3.681 0 40 GHAB CC[C@@H](C(=O)Nc1cc(C)on1)N(C)Cc1cc(Br)ccc1OC 27350671 FMBRBJDHOIIPHH-AWEZNQCLSA-N 396.285 3.603 0 40 GHAB Cc1ccc(SCC(=O)Nc2nc(CC(=O)NC3CCCC3)cs2)cc1 28284624 SUIPVDDDUIHPIU-UHFFFAOYSA-N 389.546 3.784 0 40 GHAB CCn1c2ccccc2c2cc(NC(=O)c3csc(S(N)(=O)=O)c3)ccc21 29456414 RNSUFXKGSBFPJA-UHFFFAOYSA-N 399.497 3.776 0 40 GHAB O=C(Nc1ccc(F)cc1F)c1ccc2c(=O)n(-c3ccccc3)cnc2c1 32070486 YOPZMKXZQPXZBR-UHFFFAOYSA-N 377.350 3.916 0 40 GHAB O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccccc1-c1ccccc1 32754896 VOSVXTVCVDTVSH-UHFFFAOYSA-N 394.496 3.991 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(CN2CCCCC2)cc1 32843281 AYFNOIJRTCCSKW-UHFFFAOYSA-N 380.488 3.716 0 40 GHAB Cc1nn(C)c(C)c1CCC(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 32865570 PHHPLTMCHVMTNQ-UHFFFAOYSA-N 380.419 3.945 0 40 GHAB COc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(OC)c(OC)cc3C)C2=O)cc1 33732682 AKJROXVXMTWSHN-MHWRWJLKSA-N 396.399 3.528 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccc(F)cc4)cnn32)cc1 35685035 GAJJDXGPHVQXLB-KRWDZBQOSA-N 380.379 3.869 0 40 GHAB Cc1cc(C(=O)Nc2ccn(Cc3c(F)cccc3Cl)n2)c2cnn(C)c2n1 36616391 OLSLEFWGXQQBBY-UHFFFAOYSA-N 398.829 3.566 0 40 GHAB CCSc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38726101 XCVIHQJMGLRVDM-WOJBJXKFSA-N 394.540 3.887 0 40 GHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCC1(c2ccccc2)CCCC1 40023450 UACBZEMSENVOIE-UHFFFAOYSA-N 394.559 3.947 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CNc1cccc(-c2nnnn2C2CC2)c1 40061339 IHKYBOQCZPQUNB-UHFFFAOYSA-N 382.855 3.687 0 40 GHAB CSc1nccn1-c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 40135711 ZPYILUHOROLARM-LJQANCHMSA-N 392.528 3.599 0 40 GHAB Cc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)c(Br)c1 42646651 DXXSETCMNMKCCQ-CYBMUJFWSA-N 375.266 3.616 0 40 GHAB Cc1noc(-c2csc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)c2)c1C 44889798 CKNATGJLFJXWDZ-UHFFFAOYSA-N 392.458 3.592 0 40 GHAB O=C(Nc1nnc([C@H]2CCCO2)s1)c1csc(NCc2ccccc2)n1 44918750 MNZBMLDGUNUFLB-CYBMUJFWSA-N 387.490 3.711 0 40 GHAB O=C(CCc1nnc(-c2ccsc2)o1)N1CCCc2cc(F)c(F)cc21 46222915 FWDBASRDQJWGKH-UHFFFAOYSA-N 375.400 3.988 0 40 GHAB COc1ccccc1Oc1ccc(NC(=O)C(=O)NCCc2cccs2)cc1 48917729 FJXGSJNXUPLGEX-UHFFFAOYSA-N 396.468 3.846 0 40 GHAB Cc1oc(C)c(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)c1C 52736345 HWLCZIDBHMXYFB-NTEUORMPSA-N 390.486 3.733 0 40 GHAB O=C(CCCNC(=O)C1CC1)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 57005070 ASKPTKMNEQXEFM-UHFFFAOYSA-N 398.413 3.753 0 40 GHAB C[C@@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1cccc2ccccc12 57478060 ODTYXTCQVQNGSF-CYBMUJFWSA-N 393.512 3.778 0 40 GHAB C[C@@H]1C[C@H](Sc2nnc(Cc3cccs3)n2CCc2ccccc2)C(=O)O1 57709730 VHTAWNVRRZUTPW-PBHICJAKSA-N 399.541 3.969 0 40 GHAB C=COCCCNc1ncc(-c2cc(OC)nc(OC)n2)c(-c2cccs2)n1 57743983 WTUNCQPSLHIQKX-UHFFFAOYSA-N 399.476 3.641 0 40 GHAB c1ccc2oc(CCCSc3nnc(NC[C@H]4CCCO4)s3)nc2c1 58016477 QYWCMWBBCHVGGH-GFCCVEGCSA-N 376.507 3.995 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 59227261 OAQQDIZXDJHHMA-KRWDZBQOSA-N 380.444 3.553 0 40 GHAB Cc1ccc(-c2cc(CS(=O)(=O)N[C@@H](C)c3ccc4c(c3)CCO4)on2)cc1 60921062 YJJAYQYPJXZTMA-HNNXBMFYSA-N 398.484 3.766 0 40 GHAB Cc1nc(N2CCOCC2)ccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72219621 KEIAASYYEBXGPC-HXUWFJFHSA-N 381.476 3.700 0 40 GHAB Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)C3CCN(C)CC3)n2)cc1 72358277 PUKWVKDLDKMYRY-HSZRJFAPSA-N 377.532 3.986 0 40 GHAB COc1ccccc1S(=O)(=O)N(CCc1cccs1)Cc1ccoc1 90612385 YIYFIOWFKHJAJI-UHFFFAOYSA-N 377.487 3.783 0 40 GHAB c1ccc(-n2nc(CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)c3c2CCC3)cc1 95980435 PDUFJJCYCHKFHW-KRWDZBQOSA-N 388.519 3.736 0 40 GHAB COc1ccc(CN2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)cc1 96038273 WZKRNNRKQSYACD-UHFFFAOYSA-N 391.519 3.718 0 40 GHAB C[C@H]1CN(C(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)C[C@H](C)O1 96147663 XHLXYNLONBWICB-GJZGRUSLSA-N 394.450 3.538 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c(C)c2c1 103244303 JFVXXFIRLHPRNA-YRBFXIGRSA-N 385.460 3.848 0 40 GHAB O=C(CCSc1ccccc1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206841968 VSTONSMFJACUSY-KRWDZBQOSA-N 395.484 3.844 0 40 GHAB Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 216279076 NAWZKSJDERQRSV-UHFFFAOYSA-N 395.484 3.680 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219568379 JASJUMHZUSNBFJ-MRXNPFEDSA-N 381.432 3.527 0 40 GHAB COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)o2)c1 222767368 WDIAEKQENIYZDK-OALUTQOASA-N 393.468 3.731 0 40 GHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 222935171 WGHUKMUXZSRDJW-RTWAWAEBSA-N 391.544 3.955 0 40 GHAB Cc1ccccc1N(CC(=O)NCC1=CCCCC1)S(=O)(=O)c1ccccc1 223462399 GUQDAIKXFSOKSS-UHFFFAOYSA-N 398.528 3.807 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)cc(C)c1 223887841 RKEQMSVNITXGSN-SFHVURJKSA-N 384.495 3.929 0 40 GHAB Cc1ccccc1CN(C(=O)Cc1ccccc1F)[C@H](C)C(=O)NCC(C)C 224143158 QOTONVRFONMWLM-GOSISDBHSA-N 384.495 3.866 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2)cc1OC 224811823 LRNMAAGLTAMFBU-UHFFFAOYSA-N 375.368 3.548 0 40 GHAB COC(=O)c1cccc(NC(=S)NCc2ccccc2-n2ccnc2C)c1C 225450174 KADPOZAKRKRKFS-UHFFFAOYSA-N 394.500 3.762 0 40 GHAB CN1CCN(c2ccc(N)cc2NC(=O)c2cccc(Cl)c2Cl)CC1 226259396 VDLSVJJOQSRLFC-UHFFFAOYSA-N 379.291 3.580 0 40 GHAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)cn1 257238646 HLXMJNMWHLDUHQ-HNNXBMFYSA-N 395.438 3.984 0 40 GHAB Cc1cccc(Nc2cncc(C3CCN(C(=O)c4scnc4C)CC3)n2)n1 257281212 OODKEIFROLJGHM-UHFFFAOYSA-N 394.504 3.708 0 40 GHAB O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc(-n2cccc2)c1 257302658 SDSUBUHUUIEKNV-UHFFFAOYSA-N 394.374 3.615 0 40 GHAB CCCN1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n(C)n2)C1 257305692 SRBMVWOARGQUTP-IBGZPJMESA-N 397.441 3.844 0 40 GHAB O=C(NC[C@H]1CCCN(Cc2ccc(C(=O)O)cc2)C1)Nc1cccc(F)c1 263581894 XTVSOMHNVWMNJQ-MRXNPFEDSA-N 385.439 3.558 0 40 GHAB Cc1ccsc1CN1C[C@@H]2c3cc(-c4cccnc4)ccc3S(=O)(=O)[C@H]2C1 306139442 SXHZDFVNZIITFT-NQIIRXRSSA-N 396.537 3.874 0 40 GHAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)Cc3ccc(SC(C)C)cc3)C2)n1 390827987 MYISHJIUXGBUJT-GOSISDBHSA-N 385.533 3.816 0 40 GHAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1 408597322 UYXUMKSJNITYQQ-NRFANRHFSA-N 394.496 3.523 0 40 GHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC)ccc1C 408625738 UBWSBEIYGGYODP-UHFFFAOYSA-N 396.896 3.598 0 40 GHAB CCS(=O)(=O)Nc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1 408703578 TYBAIPFJERSGMB-UHFFFAOYSA-N 398.937 3.624 0 40 GHAB CCCN1C(=O)N/C(=C/c2cc(Br)c(OCC)c(OCC)c2)C1=O 409239687 DDNAWKCIEBBUNM-UKTHLTGXSA-N 397.269 3.549 0 40 GHAB O=C(CSc1n[nH]c(COc2ccccc2F)n1)Nc1ccc(Cl)cc1 409386715 WWJRYPFWOOPFIU-UHFFFAOYSA-N 392.843 3.907 0 40 GHAB COc1ccccc1C1(CNC(=O)NCc2cn3ccc(C)cc3n2)CCCC1 518402698 MMZUIFWEHVGOBJ-UHFFFAOYSA-N 392.503 3.963 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccc(C)o2)cc1 529509469 ICSVWCIGLXGVAA-CYBMUJFWSA-N 380.448 3.769 0 40 GHAB CCOc1ccccc1CN1CCC(OC)(c2nc(-c3ccccn3)no2)CC1 565848623 FVIRCONIZNBRRX-UHFFFAOYSA-N 394.475 3.668 0 40 GHAB Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3sc(C)nc3CC(C)C)n2)c1 574503696 BYILTFLTHWHZBC-LBPRGKRZSA-N 384.509 3.630 0 40 GHAB CCC1(CNC(=O)N2CCC(O)(C3CC3)CC2)CCN(Cc2ccccc2)CC1 585099444 IJXJHPDSIOJJGU-UHFFFAOYSA-N 399.579 3.625 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)nn1 585113713 RLNRGJJDALPUGL-GOSISDBHSA-N 379.382 3.921 0 40 GHAB CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2ccc(-c3ccco3)o2)cc1 585147809 IZEIVUPVAIYMAV-UHFFFAOYSA-N 387.457 3.581 0 40 GHAB O=C(c1cc(C(F)(F)F)cnc1O)N1CCCN(c2ccccc2Cl)CC1 635925472 AAMOMBYMUGJHID-UHFFFAOYSA-N 399.800 3.812 0 40 GHAB COc1ccccc1Oc1ccc(CNC(=O)N2C[C@@H](C)[C@@](C)(CO)C2)cc1 664072629 RTTIEGXLWOQGIB-OPAMFIHVSA-N 384.476 3.647 0 40 GHAB Cc1ccccc1-n1cc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)nn1 665519719 PDYMCLURERKFPT-SFHVURJKSA-N 392.463 3.594 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)Cc2cccc3cnccc23)cc1 1526843884 UAAODLKFHUQNCT-MRXNPFEDSA-N 375.472 3.622 0 40 GHAB CC(C)(C)N1C[C@@H](NC(=O)C[C@@H](c2ccc(Cl)cc2)n2cccc2)CC1=O 1565524828 PNBKQAHBZJRTNI-ROUUACIJSA-N 387.911 3.637 0 40 GHAB CCOc1ccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1 1615152239 ARIMUFVKXDCEBE-UHFFFAOYSA-N 398.478 3.622 0 40 GHAB CC(C)(C)NC(=O)[C@H]1CCN(c2ccc3ccc(Br)cc3n2)C1 1889130296 VFBBPLFLKCPUPO-ZDUSSCGKSA-N 376.298 3.738 0 40 GHAB Cc1ccc(OCC2(O)CCN(C(=O)Cc3cccc(Cl)c3)CC2)cc1C 2037916169 SIHQVNFZBNKCTM-UHFFFAOYSA-N 387.907 3.932 0 40 GHAB O=C1CC2(CCN(Cc3cc4ccccc4o3)CC2)Nc2ccccc2CN1 2037981001 QBZIRVMNPGHFSA-UHFFFAOYSA-N 375.472 3.899 0 40 GHAB Cc1ccc(-n2nnnc2-c2cnc(-c3ccccn3)nc2C(F)(F)F)cc1 721380 RUCHOKYTIPKVGU-UHFFFAOYSA-N 383.337 3.509 0 40 GHAB COC(=O)CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O 1018636 MCVFQRRSOJZFDA-WOJGMQOQSA-N 397.452 3.783 0 40 GHAB CCN(CC)C(=O)c1cc(S(=O)(=O)N(CC)CC)c(Cl)cc1Cl 1060252 KOQQVOAZXSLKRR-UHFFFAOYSA-N 381.325 3.506 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1401333 PTFLZBLOQOCFEK-INIZCTEOSA-N 399.299 3.785 0 40 GHAB COc1c(C)cc(S(=O)(=O)NCCc2c(C)[nH]c3ccccc23)c(C)c1C 1424299 AQTIWVSVTLHTMH-UHFFFAOYSA-N 386.517 3.931 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)[C@H](C)Oc1ccc(Cl)cc1)CC2 2228587 ANCSQLAGXDXHFU-ZDUSSCGKSA-N 375.852 3.709 0 40 GHAB COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)cc1 2249919 BYKCCWSZJKBEPC-CXAGYDPISA-N 388.489 3.543 0 40 GHAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)c1cccs1 2456846 VCVIAZIPCULTOR-DEOSSOPVSA-N 377.878 3.602 0 40 GHAB CCSc1nnc(NC(=O)CSc2nccn2-c2ccc(F)cc2)s1 2468222 JSUWHRYIGDHFIB-UHFFFAOYSA-N 395.510 3.706 0 40 GHAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)C2=O 2631173 MMVYHCILSXKYCY-UHFFFAOYSA-N 398.290 3.823 0 40 GHAB O=C(COC(=O)CCSc1ccc(Cl)cc1)NCCc1ccccc1 3263933 OHEQLHSALIYLAC-UHFFFAOYSA-N 377.893 3.724 0 40 GHAB COc1ccc(C(=O)NCc2nnc(SC)n2-c2cc(C)ccc2C)cc1 4059385 MIJAALSDUQJCQQ-UHFFFAOYSA-N 382.489 3.545 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3cccc(C)c3C)n2)cc1OC 4384099 MXTHKYJFMNAGCY-UHFFFAOYSA-N 381.432 3.942 0 40 GHAB COC(=O)C[C@H]1c2cc(OC)c3cccc(OC)c3c2CC[C@@]1(C)C(=O)OC 5732166 RIUTZYSUTYGRHE-KSFYIVLOSA-N 386.444 3.629 0 40 GHAB CCOC(=O)C(Sc1nc(C)cc(-c2ccc(Cl)cc2)n1)C(=O)OCC 6154368 ACXREAJBGYRAGA-UHFFFAOYSA-N 394.880 3.692 0 40 GHAB Cc1ccc(-n2c(C)nnc2SCC(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)cc1 6603561 VZWLXFXHCDRLKI-ZDUSSCGKSA-N 392.484 3.915 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCSc2ccccc21 6652237 NHAWIIQHJXICIR-MRXNPFEDSA-N 395.933 3.857 0 40 GHAB CC(C)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc1 6752905 PTQVAIKEYDTQST-JOCHJYFZSA-N 391.471 3.833 0 40 GHAB c1cncc(-c2nc3c4ccccc4nc(N4CCc5ccccc5C4)n3n2)c1 6805419 LYFUUFAASFUNLT-UHFFFAOYSA-N 378.439 3.902 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(C)cc1)S2 6811877 ZKFUXPSUDJKJSM-RBUKOAKNSA-N 393.516 3.855 0 40 GHAB COc1ccc(OCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 7492107 BUEJHPGHYOHYNI-UHFFFAOYSA-N 388.895 3.508 0 40 GHAB COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1 7726313 YVGRWQRHGMCFPC-UHFFFAOYSA-N 388.470 3.706 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 7882053 XTPCWXLMBBNVDS-VQIMIIECSA-N 394.471 3.800 0 40 GHAB COc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCCCCC2)cc1 8121594 SOQPINJPXPGHTI-UHFFFAOYSA-N 381.476 3.762 0 40 GHAB O=C(CSc1nnnn1C1CCCC1)Nc1ccc(N2CCCCC2)cc1 8232089 ILGSWUCYVNIFON-UHFFFAOYSA-N 386.525 3.509 0 40 GHAB O=S(=O)(NCCOc1ccc(Cl)cc1)c1ccccc1C(F)(F)F 8766834 ZDYHLZYDMTTXOY-UHFFFAOYSA-N 379.787 3.716 0 40 GHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)CCc3ccccc3)ccc21 8840761 QKZXCSQQWJIFMF-UHFFFAOYSA-N 386.517 3.750 0 40 GHAB C[C@H]1Oc2ccccc2N(CCC(=O)NCC2(c3ccccc3)CCCC2)C1=O 8983493 CFSSQCAWZLMRDX-GOSISDBHSA-N 392.499 3.819 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2C)cc1 9237255 KJJXMVZLTINCFC-MSOLQXFVSA-N 379.489 3.601 0 40 GHAB Cc1c(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)oc2ccccc12 9908438 HFPSVKYYUUOFJN-HNNXBMFYSA-N 378.428 3.902 0 40 GHAB Cc1[nH]c2ccc(C(=O)N(C)Cc3ccccc3N3CCOCC3)cc2c1C 10900231 UJXFQDBXKGVZRT-UHFFFAOYSA-N 377.488 3.894 0 40 GHAB CCn1c([C@@H](CC(C)C)NC(=O)CCn2nc(C)cc2C)nc2cccnc21 12114148 GMGBCUNXZGNOIS-GOSISDBHSA-N 382.512 3.558 0 40 GHAB CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 12194880 YJFKULFHVHKZDG-UHFFFAOYSA-N 392.908 3.542 0 40 GHAB CCOc1ccc(C(=O)N2CCC[C@@H](c3noc(-c4ccccn4)n3)C2)cc1 12291945 SWTHUZRYNRKRLE-MRXNPFEDSA-N 378.432 3.550 0 40 GHAB COc1ccc(C2(O)CCN(C[C@H](O)c3ccc4ccccc4c3)CC2)cc1 12292320 MKKNNVCKFOYGCE-QHCPKHFHSA-N 377.484 3.865 0 40 GHAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cc(F)ccc3F)n2)cc1 12441020 PCZWAKJBLWXKLX-UHFFFAOYSA-N 399.397 3.616 0 40 GHAB COc1ccc(-n2ccnc2S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 12529395 JCIWVPVUKMUGQL-ZDUSSCGKSA-N 378.457 3.971 0 40 GHAB CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc2ccccc2c1=O 12576619 BVHKGYMMTRCTFU-JYYAWHABSA-N 387.549 3.838 0 40 GHAB c1ccc(-n2ncc3c(SC[C@H]4COc5ccccc5O4)ncnc32)cc1 12680803 OSGGSXDPOIYFMD-OAHLLOKOSA-N 376.441 3.748 0 40 GHAB O=C(NC1CC1)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1 12907015 HIHDPEQSFZWMEH-UHFFFAOYSA-N 377.213 3.733 0 40 GHAB COc1ccc(/C=C/c2nn3c(-c4cc(CC(C)C)[nH]n4)nnc3s2)cc1 13719119 KRBRGNBRZLUWGX-RMKNXTFCSA-N 380.477 3.953 0 40 GHAB CC(C)[C@H](NCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(Cl)cc1 14092750 NOHUAROYIRJVQC-FQEVSTJZSA-N 387.911 3.967 0 40 GHAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@H]1c1nnc2ccccn12 14188807 XJSICNDXFLAOPV-LBPRGKRZSA-N 397.287 3.562 0 40 GHAB COc1ccccc1/C=C1\N=C(c2ccc(OC(F)F)c(OC)c2)OC1=O 14244969 HMJSGYMKSRFRCL-LCYFTJDESA-N 375.327 3.650 0 40 GHAB CC(=O)Nc1ccc2c(CSc3nnc(CC4CCCC4)[nH]3)cc(=O)oc2c1 14805818 JQPPUGMEFVMWCS-UHFFFAOYSA-N 398.488 3.895 0 40 GHAB Cc1cc(O)nc(-n2nc(C)cc2NC(=O)c2cc(Cl)ccc2Cl)n1 15881331 UUUAKXOYLIJSMA-UHFFFAOYSA-N 378.219 3.544 0 40 GHAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21 17289171 GNGFJELAANFHNO-UHFFFAOYSA-N 382.844 3.579 0 40 GHAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)Cc2ccccn2)cc1OC 19561391 CYQIFSWKDVVAAM-PTRHGPIFSA-N 380.488 3.730 0 40 GHAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)Cc2ccccn2)cc1OC 19561397 CYQIFSWKDVVAAM-WKZKVMAPSA-N 380.488 3.730 0 40 GHAB CCn1c(SCc2ccccc2F)nc2sc3c(c2c1=O)CCN(C)C3 20358272 VGFRFRGYENSHLG-UHFFFAOYSA-N 389.521 3.897 0 40 GHAB Cn1cc(C(=O)Nc2ccccc2Br)c(=O)c2cc(F)ccc21 22236261 WEDRKEQRACZEBE-UHFFFAOYSA-N 375.197 3.692 0 40 GHAB Cc1c(C(=O)COC(=O)C2CCN(C(=O)C3CC3)CC2)sc2ccccc12 24420524 IUOCNRFXZBQREE-UHFFFAOYSA-N 385.485 3.584 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)c2occc2COc2ccccc2)c1 24591558 PZUKBYJUIWJSPQ-UHFFFAOYSA-N 394.427 3.578 0 40 GHAB CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1 24745020 GESIMHDJMOOTPV-UHFFFAOYSA-N 394.475 3.705 0 40 GHAB CC(C)c1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 24911305 NQMAJZAUPLMYNL-YJBOKZPZSA-N 394.471 3.769 0 40 GHAB O=C(CN1CCN(c2nc3ccccc3s2)CC1)Nc1ccccc1Cl 25372139 JXCLTPSYHKMUEP-UHFFFAOYSA-N 386.908 3.710 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)CSc2ccccc21 25440831 KKDYIPHCASXNCS-UHFFFAOYSA-N 376.865 3.734 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1nn(-c3ccccc3)cc1OC)O[C@H](C)C2 26887188 HCMWRWLLLYFUBO-CQSZACIVSA-N 393.443 3.855 0 40 GHAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1sc(C(C)C)cc1C(N)=O 28227595 LYZOWESPMGNARD-VIFPVBQESA-N 388.415 3.694 0 40 GHAB COc1ccc(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)c(OC)c1 28574304 WIYNPRSQMKVESD-UHFFFAOYSA-N 389.814 3.993 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)C[C@H]1c3ccccc3C=CN1C(C)=O)OCO2 29761650 SZOJDYIOOWSRDD-IBGZPJMESA-N 392.411 3.521 0 40 GHAB COC(=O)c1oc(Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1C 31607000 IJESHIKVIWMSMN-UHFFFAOYSA-N 380.425 3.861 0 40 GHAB C[C@H](C(=O)N[C@@H](c1cccs1)C1CCCC1)N1C(=O)c2ccccc2C1=O 31805963 LASWBIQDJQYQRS-FZKQIMNGSA-N 382.485 3.780 0 40 GHAB Cc1nc2ccc(NCC(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2s1 32679639 RWDZZCWHCPQLOP-UHFFFAOYSA-N 398.879 3.889 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1 32772541 PQUNDPPACQMDIJ-LJQANCHMSA-N 399.560 3.511 0 40 GHAB COc1ccc(CNC(=O)NCc2ccc(-c3csc(C)n3)o2)cc1F 32803654 YSNOWHZFPCCVNY-UHFFFAOYSA-N 375.425 3.859 0 40 GHAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1Br 32911478 GTMRBOBZIOAKDA-MRXNPFEDSA-N 391.284 3.983 0 40 GHAB CCSc1ccc(Cc2nnc(NC(=O)COc3ccccc3F)o2)cc1 36659584 YRZVUVCFVQWQQQ-UHFFFAOYSA-N 387.436 3.929 0 40 GHAB COc1ccc(NC(=O)c2cccnc2-n2cncn2)cc1Cc1ccccc1 40051488 BRODRNBAOTVSQT-UHFFFAOYSA-N 385.427 3.514 0 40 GHAB Cc1ccc(-c2nc(CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)co2)c(C)c1 40057035 DKYPRVRPBCHPSV-HSZRJFAPSA-N 387.439 3.852 0 40 GHAB CN(c1ccc2sc(C(=O)NC3CC3)cc2c1)S(=O)(=O)c1ccccc1 46058462 AHOJVMPQZLWBFP-UHFFFAOYSA-N 386.498 3.619 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3F)c2C)c1 47585572 KUEJWIOFTKPXIS-UHFFFAOYSA-N 384.386 3.978 0 40 GHAB Cn1c(C(=O)NCCNc2ncc(Cl)cc2Cl)cc(Cl)c1Cl 58406727 NBIHVNNMIHBKAJ-UHFFFAOYSA-N 382.078 3.876 0 40 GHAB CC(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2C(=O)N2CCCC2)c1 59802769 DULFZCCICJQTFQ-UHFFFAOYSA-N 399.878 3.829 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)N(Cc1ccccn1)Cc1ccco1 62018106 IPFCQNVBIAKUGC-UHFFFAOYSA-N 376.865 3.860 0 40 GHAB Cc1cccc(NC(=O)Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)c1 64591296 JHMYQRWEHGDWJJ-UHFFFAOYSA-N 392.846 3.764 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)Nc1cccc(CN2CCCC2=O)c1 70014858 QFMLJMBTXSXJLM-UHFFFAOYSA-N 376.460 3.655 0 40 GHAB Cc1ccc(S(=O)(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1C 70923844 FANMCSJMGKCYGJ-UHFFFAOYSA-N 399.516 3.640 0 40 GHAB CCCCCC[C@@H](C)N(C(=O)[C@H]1COCCO1)c1ccccc1C(=O)OC 72300858 AIYODMVIAQDONZ-VQIMIIECSA-N 377.481 3.581 0 40 GHAB O[C@@H](c1cccnc1)c1ccccc1N1CCN(Cc2cccc(F)c2)CC1 72340648 PVCKZFGBIMQOBD-QHCPKHFHSA-N 377.463 3.625 0 40 GHAB COc1ccccc1Oc1nccnc1C1CCN(C(=O)c2ccccn2)CC1 72362250 VZNDMAMGAYCFAC-UHFFFAOYSA-N 390.443 3.692 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1ccc(O)c(Cl)c1 79481562 XJSJRLCQOYQRJN-MRXNPFEDSA-N 395.868 3.538 0 40 GHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCC(C)CC2)C12CCCCC2 79482756 GIDYUSLESBLBJK-OAQYLSRUSA-N 398.547 3.834 0 40 GHAB CC(C)n1ccc2c(C(=O)N3CCN(CCc4ccccn4)CC3)cccc21 79492262 OIEWMYATWOQDNH-UHFFFAOYSA-N 376.504 3.618 0 40 GHAB O=C(CCCc1nc(C2CC2)no1)Nc1ccc(NC(=O)c2ccccc2)nc1 95961543 VQVGEWSHCSUGDP-UHFFFAOYSA-N 391.431 3.556 0 40 GHAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2c[nH]c3ccc(F)cc23)c1C 95966992 SIGQSROLKTWHPV-CYBMUJFWSA-N 386.423 3.972 0 40 GHAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 96053053 XKBKBCMKNFPQII-GOSISDBHSA-N 378.520 3.761 0 40 GHAB O=C(c1cccc(Oc2ccccn2)c1)N1CCN(CCc2ccccc2)CC1 96383092 PBUONCNVVMRJQK-UHFFFAOYSA-N 387.483 3.874 0 40 GHAB Cc1cc(C)c(NC(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c(Cl)c1 102506113 HZPZNKFNCVIJDO-VKFLQFAXSA-N 391.895 3.770 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1cccc(F)c1 105093581 CEUFMPBHAYYMGW-MRXNPFEDSA-N 376.840 3.582 0 40 GHAB COc1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1Cl 109495064 KOLDSHXGVGSPMH-UHFFFAOYSA-N 389.260 3.626 0 40 GHAB CCc1ccc(N(CCCC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1 113961164 YVYMDROWNKRPAO-UHFFFAOYSA-N 382.570 3.592 0 40 GHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 223220358 WECUKFLBUCXNBE-NHCUHLMSSA-N 397.592 3.922 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C)c3C)c(Cl)cc21 223361530 CNJZTFCIDOFADV-UHFFFAOYSA-N 380.853 3.685 0 40 GHAB CC(C)(C)c1ccccc1OCCNC(=O)CCc1ccc2c(c1)OCCO2 223730755 DQFYVOROJQOGPT-UHFFFAOYSA-N 383.488 3.883 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC3)c(Cl)c2)cc1 224237767 JXKORKIZFYJVLT-UHFFFAOYSA-N 392.908 3.710 0 40 GHAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1F 224428101 WBCBGLXEANGOGJ-VQTJNVASSA-N 396.491 3.846 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2C)cc1C(C)C 224637170 YCKKQBQQFUKPDH-UHFFFAOYSA-N 377.506 3.793 0 40 GHAB COC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224709880 MIUZMTTXAWWBPS-UHFFFAOYSA-N 388.272 3.670 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 225100940 JQVQSLDDTFOHHF-FQEVSTJZSA-N 386.467 3.538 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCN2CCCCCC2)c1 225400338 RTVGRDPGUNWEKP-UHFFFAOYSA-N 383.945 3.679 0 40 GHAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NC3CCN(C)CC3)c1O)OC2(C)C 257200238 ACNZZYXZJHAWSZ-ZTFGCOKTSA-N 386.536 3.907 0 40 GHAB CN(C)C(=O)c1sc2nc([C@H]3CCCN3CCc3ccccc3)ccc2c1N 257270270 MTLVXALYXKZASQ-GOSISDBHSA-N 394.544 3.960 0 40 GHAB COc1cccc(Oc2cc(C)nc([C@@H]3CCCN(C(=O)c4ccno4)C3)n2)c1 257303635 SIADOVLPWHDBHI-OAHLLOKOSA-N 394.431 3.594 0 40 GHAB COc1ccccc1C(=O)NC[C@H]1CC[C@H]([C@@H](NC(C)=O)c2ccccn2)CC1 257316801 VHAYLWBQWGNZCD-JBYIUTFZSA-N 395.503 3.504 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1C(=O)NCC(C)C 408581757 AHOTZHVYNZPWQN-UHFFFAOYSA-N 380.897 3.835 0 40 GHAB CCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1NC(=O)CC 408697716 LITCUFYSFJAMCX-UHFFFAOYSA-N 396.896 3.566 0 40 GHAB O=S(=O)(NC[C@@H]1COc2ccccc21)c1ccc(Cl)c(C(F)(F)F)c1 514687696 UPHPMNPCFAKXQQ-SNVBAGLBSA-N 391.798 3.813 0 40 GHAB Cc1ncncc1C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 548630185 ANIAWGHNLLJMQD-MRXNPFEDSA-N 378.245 3.958 0 40 GHAB O=C(CCSc1ccccc1)N1CC(Oc2cccc(C(F)(F)F)n2)C1 575608309 SDPBZMXOSBWIRY-UHFFFAOYSA-N 382.407 3.872 0 40 GHAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)Cc1cccnc1)C2 643576149 QJLZJYBYIVTIPS-YADHBBJMSA-N 392.547 3.710 0 40 GHAB COCCOc1ncccc1NC(=O)N1CCC2(C=Cc3ccccc3O2)CC1 665963889 JEXDASCHXQAKGW-UHFFFAOYSA-N 395.459 3.579 0 40 GHAB CC(C)CCOc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)nn1 667993681 HVWJXZPGZZNMNP-DLBZAZTESA-N 376.501 3.715 0 40 GHAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(Oc2nncs2)CC1 675008371 UXXMWICJWAGMMG-UHFFFAOYSA-N 385.411 3.560 0 40 GHAB COC(=O)c1cc(NC(=O)NC(C)(C)Cc2ccc(OC)cc2)c(C)s1 1206072966 UHNRXWBZMJZUTC-UHFFFAOYSA-N 376.478 3.995 0 40 GHAB CC1(C)C[C@@H]2CN(C(=O)c3ccn(C(F)F)n3)CC[C@@H]2N1c1cccc(F)c1 1615160069 XPJLBQVJNCUVTQ-DYVFJYSZSA-N 392.425 3.937 0 40 GHAB Cn1cncc1CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 1615525473 GLPJDKLOPGMTFU-AZUAARDMSA-N 387.911 3.968 0 40 GHAB Cn1ncc(C(=O)Nc2ccc([C@@H](O)C(F)(F)F)cc2)c1Cc1ccccc1 1648856375 AJAAFBKBMLKTCU-GOSISDBHSA-N 389.377 3.859 0 40 GHAB Cc1cccc(NC(=O)N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)c1 1888959374 SUSCPIJKLVXQFH-UHFFFAOYSA-N 390.487 3.957 0 40 GHAB COc1cc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1NC(=O)OC(C)(C)C 47560314 RQLWCRLGKGYBDZ-CHWSQXEVSA-N 379.457 3.683 0 40 GHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCC[C@@H](C)C1 904823 CRENQRXRUDYXOR-OAHLLOKOSA-N 388.537 3.536 0 40 GHAB COc1ccccc1-n1c(SCCN2CCCCC2)nc2ccccc2c1=O 905610 KMCFJQMXPHGZCA-UHFFFAOYSA-N 395.528 3.972 0 40 GHAB COc1cccc(C[C@H](O)COn2c(Cc3ccccc3)nc3ccccc32)c1 1469623 ZUJWIABSONOQSO-FQEVSTJZSA-N 388.467 3.668 0 40 GHAB CC(C)(C)OC(=O)NCS(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 1574721 RDFAEJGLAGNFLB-UHFFFAOYSA-N 390.505 3.501 0 40 GHAB Cc1cc(C)cc(OCC(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)c1 6825697 HFJXAFMFJRHIOS-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2c(c1)OCCO2 7598796 AEMAGKOMAJDEGF-FARCUNLSSA-N 390.233 3.881 0 40 GHAB COc1ccc(COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1F 7785048 UJSLPGWLOFHRFR-UHFFFAOYSA-N 386.206 3.614 0 40 GHAB COc1ccc(OCCNC(=O)c2cc(Br)ccc2Cl)cc1 7815228 JHBTXQJLRCHETR-UHFFFAOYSA-N 384.657 3.920 0 40 GHAB CCCCNC(=O)c1cccc(S(=O)(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c1 102758578 UWOZITOJASJEQZ-LAUBAEHRSA-N 392.565 3.806 0 40 GHAB COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1cccc(C)c1C 1251367 UQBMXICKJKXPOQ-LJQANCHMSA-N 381.501 3.744 0 40 GHAB CCCCCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O 24755869 SYMONBDMGPFTBD-UHFFFAOYSA-N 392.477 3.720 0 40 GHAB O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1cc(Cl)cc(Cl)c1 54253735 NUJYBFSNXWBDDZ-QGZVFWFLSA-N 393.270 3.750 0 40 GHAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccccc1I 55694833 BQQLAZJCOPFAFR-CYBMUJFWSA-N 395.240 3.797 0 40 GHAB O=C(NCCCOCc1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 25838251 OSCCHHSRQLUHTH-UHFFFAOYSA-N 395.503 3.654 0 40 GHAB Fc1ccc(-n2ncc3c(Nc4ccc5c(c4)OCCCO5)ncnc32)cc1 12610243 OLSWXONHSPPTPF-UHFFFAOYSA-N 377.379 3.860 0 40 GHAB CCc1ccc(-c2noc(CN3CCN(c4cccc(OC)c4)CC3)n2)cc1 57799104 XIJUDGUOVXRXIR-UHFFFAOYSA-N 378.476 3.630 0 40 GHAB COc1ccc(CC(=O)NCCSCc2ccccc2Cl)cc1OC 20240095 YNLUWNUJMJZWHJ-UHFFFAOYSA-N 379.909 3.949 0 40 GHAB CC[C@H](NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(C)cc1 113967491 FNIYDHQDNVBGLY-KXBFYZLASA-N 392.496 3.556 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C[C@H](O)c1ccc(OC(F)F)cc1 58160917 XSSVCOLLKSCKKG-KRWDZBQOSA-N 378.419 3.509 0 40 GHAB CCOC(=O)c1ccc(NC(=O)O[C@H]2CCN3Cc4ccccc4N=C23)cc1 2139640 ZMKUFSXTFSGVLJ-SFHVURJKSA-N 379.416 3.730 0 40 GHAB biogenic COc1cccc(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 12761433 FQPXBNNDYWCMEE-UHFFFAOYSA-N 382.460 3.807 0 40 GHAB O=C(Oc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 102083384 PFWBGXFUCLCCQU-MBZVMHRFSA-N 393.826 3.871 0 40 GHAB C[C@H]1c2ccsc2CCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 36391999 XZASYGMWRJYWAJ-INIZCTEOSA-N 387.524 3.545 0 40 GHAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)[C@@H]1CCCc2ccccc21 36392089 HVBFUPSPTJWAOC-OAQYLSRUSA-N 398.528 3.585 0 40 GHAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@H](c2nc3ccccc3o2)C1 48362247 GBOQWJWPSMDCHX-CVEARBPZSA-N 381.480 3.812 0 40 GHAB Cc1cc(=O)c(C(=O)OCc2nc3ccccc3o2)nn1-c1ccc(Cl)cc1 11015106 HHGJMMPIMLSILH-UHFFFAOYSA-N 395.802 3.693 0 40 GHAB CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1c(C)cc(C)cc1C 2493432 NFDNXEVSMVROPX-UHFFFAOYSA-N 391.470 3.522 0 40 GHAB CCOC(=O)CCCSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3 2410782 MVXPRQVYYSXOID-UHFFFAOYSA-N 381.523 3.560 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nc2cc(C)[nH]c2c1=O 57521890 OXVGFJXSSQTGTL-UHFFFAOYSA-N 390.896 3.746 0 40 GHAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(Cl)cc1F 12881517 XISJMARNZSIAIF-UHFFFAOYSA-N 395.906 3.532 0 40 GHAB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCC(=O)N2CCCCC2)c1 46461498 ZBRDBXSERQFNHT-UHFFFAOYSA-N 387.911 3.880 0 40 GHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)C1 3548418 ABVSKPIKVNHGHP-HUUCEWRRSA-N 390.480 3.745 0 40 GHAB COC(=O)c1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c(C)c1 12928197 PXCCUHQJOFBUGL-FQEVSTJZSA-N 378.428 3.684 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1ccc(C)cc1 12937225 OBUCBGDURSNMKY-HXUWFJFHSA-N 386.517 3.724 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)c(C)c1 12920348 LUZPNTPUUJIFKD-UHFFFAOYSA-N 391.452 3.905 0 40 GHAB Cc1cc(N/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)c3ccccc32)ccn1 12969877 MEUKFAYVRWAIJA-XDHOZWIPSA-N 399.406 3.759 0 40 GHAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccccc1C 3656295 QROLUZIJYBKLPL-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB COc1ccccc1OCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 67118320 LMIZVOXTMXSJSK-UHFFFAOYSA-N 390.288 3.500 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(Br)cc1 5440038 JGRWVBYLDDVTCH-UHFFFAOYSA-N 378.222 3.678 0 40 GHAB COc1ccc2c(COC(=O)Cc3c(F)cccc3Cl)cc(=O)oc2c1 5508373 CYDFSQFPDNOFKZ-UHFFFAOYSA-N 376.767 3.880 0 40 GHAB CC(C)C(=O)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1CCS(=O)(=O)C1 6719903 XQPQIOIUEVKEBJ-MRXNPFEDSA-N 395.908 3.772 0 40 GHAB Cc1cc(CSc2ccc(S(=O)(=O)N(C)C3CCCCC3)cn2)no1 5702539 RSQICGXGKQHTLY-UHFFFAOYSA-N 381.523 3.624 0 40 GHAB CCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)cc1 4816809 APFIVHUPWKGGEC-UXHICEINSA-N 392.459 3.773 0 40 GHAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2Cl)C1=O 6879269 UEIFGIVEPWDWJO-QGZVFWFLSA-N 386.279 3.679 0 40 GHAB CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@H](C)Oc1ccc(OC)cc1 4943891 QFPBXIYNKICBGD-INIZCTEOSA-N 395.459 3.870 0 40 GHAB COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccc(C)cc3)oc12 67293691 DDKOTJULWRHIHL-LIJORCRASA-N 392.455 3.891 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(SCCOc2ccccc2C)nc1 7052482 PJTRNFOVPIFMTP-UHFFFAOYSA-N 380.535 3.592 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 67590531 NADNANYQNPKCKQ-HRAATJIYSA-N 378.476 3.516 0 40 GHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)o1 409158469 SYMRGUUDTWCBFV-RIYZIHGNSA-N 376.821 3.916 0 40 GHAB C[C@]1(CCc2ccccc2)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7388793 HNHMJOJONBOAJU-JOCHJYFZSA-N 375.428 3.785 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C 7479032 WSCNIFAPCGSSCE-JTQLQIEISA-N 397.500 3.613 0 40 GHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)n2)s1 7734925 CMCINAPYLFJXGQ-GFCCVEGCSA-N 387.486 3.760 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(Br)c1 8349293 WULSPFDADRKJOV-ZDUSSCGKSA-N 385.265 3.863 0 40 GHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCCc1cccs1 8395261 YTOCQHOBBJDYTE-UHFFFAOYSA-N 395.509 3.545 0 40 GHAB C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1cccc(C2SCCS2)c1 71820759 DOJORUOIPPAWGE-JTQLQIEISA-N 393.563 3.606 0 40 GHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCOC 8500087 SKMVFKPRJOOGQJ-SFHVURJKSA-N 390.867 3.512 0 40 GHAB CCc1c(C(=O)Nc2c(F)cccc2F)nnn1-c1ccc(OC(F)F)cc1 19911261 AHWNVJKOJZVOGX-UHFFFAOYSA-N 394.328 3.962 0 40 GHAB COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@H]3CC[C@H](C)C[C@H]3C2=O)cc1 17986639 SROYVBSRTNKJEG-UCLAIMLFSA-N 393.439 3.840 0 40 GHAB CCCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccncc1 18262237 XVXVBPWMZQIUBI-CYBMUJFWSA-N 392.488 3.840 0 40 GHAB O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1CCOc1ccc(Cl)cc1 8734666 QWDMNPRPHPPUDG-NRFANRHFSA-N 384.863 3.893 0 40 GHAB CCCOc1ccc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1 8768618 KBCFGBZLXGVUNP-KRWDZBQOSA-N 375.428 3.700 0 40 GHAB COc1ccc(-c2nnc(COC(=O)Cn3c(C)cc4ccccc43)o2)cc1 18347139 PYWOYXSZIOWEBY-UHFFFAOYSA-N 377.400 3.752 0 40 GHAB Cc1nc(-c2cccc(NC(=O)Cn3ncc(Cl)c(Cl)c3=O)c2)cs1 18762975 ABMJRZJWHPELGZ-UHFFFAOYSA-N 395.271 3.621 0 40 GHAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccccc3)cc2c1 8829140 XACVWLJZFCEOBP-UHFFFAOYSA-N 385.423 3.779 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccccc2)NN3Cc2ccccc2)cc1 19169116 LJNAFHHGVTUUSJ-VJBWXMMDSA-N 397.478 3.615 0 40 GHAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1cncc(Br)c1Cl 89885051 CLNMICJYARKJRZ-UHFFFAOYSA-N 391.656 3.864 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 113950892 BECPOGPABPMASL-FQEVSTJZSA-N 396.487 3.572 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)c1 409108965 ZYGJDVIGBIGTLB-UHFFFAOYSA-N 397.504 3.736 0 40 GHAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(O)c3)C2=O)c1 409319784 LUBZRJUUWSBINK-LICLKQGHSA-N 382.441 3.684 0 40 GHAB CC(C)CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 409412657 ZCTXDWZJUIHPNY-UHFFFAOYSA-N 394.924 3.941 0 40 GHAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccnc1 33625651 NRPHXFJVUBWOOS-UHFFFAOYSA-N 377.787 3.788 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 30681515 ACLLATYTGNCJOL-LJJUEVLISA-N 397.519 3.938 0 40 GHAB CCOC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)o1 39755976 KYRSXFODGKYITM-UHFFFAOYSA-N 382.376 3.566 0 40 GHAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21)c1ccccc1 409373946 ZUUOYLNGJMOAEF-YAKVFXAGSA-N 385.419 3.810 0 40 GHAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccccc1 409097799 HKMVOEPRXRSIGM-UHFFFAOYSA-N 394.544 3.933 0 40 GHAB COc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 219681913 PONLLEALOAGUFF-CQSZACIVSA-N 392.293 3.974 0 40 GHAB CCN(CC)CCCNC(=O)c1ccn(COc2cccc(Cl)c2Cl)n1 32647959 MRVUTECNSHGMRK-UHFFFAOYSA-N 399.322 3.688 0 40 GHAB COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cccc(F)c4)c32)c1 66087884 XRIBKVUXEIRBMB-INIZCTEOSA-N 380.375 3.797 0 40 GHAB O=C(CN1CCCC1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349731 GDNKPXBHCKTNTH-IBGZPJMESA-N 381.495 3.613 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)COc3ccc(C(C)C)cc3)n2)c1 218963617 ZSDZJSSKEDMXQY-UHFFFAOYSA-N 395.459 3.906 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc(Nc2ncccn2)cn1)Nc1ccccc1F 72353019 NYXSJTUVYNTPAN-IBGZPJMESA-N 392.438 3.530 0 40 GHAB CS(=O)(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 139449970 CJCGHLVFLHGYTM-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 223647421 WDZCZDBGDHEPPZ-VQTJNVASSA-N 398.532 3.534 0 40 GHAB Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3cnc(O)c4ccccc34)C2)s1 569612076 SEZZFQBPJPECLC-INIZCTEOSA-N 395.528 3.904 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccc(C)c(C)c3)ccc21 225697787 ZPVGTWIEKQPQQN-CQSZACIVSA-N 390.530 3.739 0 40 GHAB CCOc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(OC)c(C)c3)n2)cc1 225766783 BCMBEEBJROQDFK-UHFFFAOYSA-N 395.459 3.653 0 40 GHAB CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44911440 ZGWCRIWPJZEXTB-SFHVURJKSA-N 384.451 3.853 0 40 GHAB Cc1cccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1C 225698318 CECUOKNPUGYHSW-FQEVSTJZSA-N 396.531 3.667 0 40 GHAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2ccc(Cl)cc2C)c1=O 225969151 KEVZRHZSPOBQKA-UHFFFAOYSA-N 376.840 3.600 0 40 GHAB Cc1cc2c(=O)[nH]c(CSCC(=O)Nc3cc(Cl)ccc3O)nc2s1 44893602 KTTVXBBCCRMVQV-UHFFFAOYSA-N 395.893 3.524 0 40 GHAB COc1cc(CNC(=O)[C@H](C)SCc2ccccc2)cc(OC)c1OC 46912168 WLQMKDNIISRFMN-AWEZNQCLSA-N 375.490 3.651 0 40 GHAB O=C(Cn1ccc2cc(Br)ccc21)N1CC[C@]2(O)CCCC[C@H]2C1 96125595 DPTPQBWAUBHMMH-HNAYVOBHSA-N 391.309 3.557 0 40 GHAB biogenic C[C@@H](NC(=O)N1CCC2(CC1)CCS(=O)(=O)CC2)c1ccc(C2CC2)cc1 579811578 MXPMMMCUNGZQEK-MRXNPFEDSA-N 390.549 3.625 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)N1CC[C@H](c2noc(-c3ccco3)n2)C1 240122561 WCXBNPPKEOOPBG-HNNXBMFYSA-N 376.416 3.760 0 40 GHAB CN(C)C(=O)[C@@]1(c2ccccn2)CCCN1Cc1ccccc1OC1CCCC1 257335558 YKRVTXBATLARGW-DEOSSOPVSA-N 393.531 3.983 0 40 GHAB CC(C)N1CC[C@@H](c2cc(O)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)C1 257308595 TXHYGXLBTHOQJB-CYBMUJFWSA-N 399.882 3.538 0 40 GHAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)Nc1ccccc1C(F)(F)F 252481732 CRBDGUJHESFKTE-UHFFFAOYSA-N 397.376 3.673 0 40 GHAB CCOC(=O)c1cnn2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc12 90607193 CKOWKZNLHIZPNO-UHFFFAOYSA-N 377.322 3.782 0 40 GHAB O=c1cc(CSc2nccn3nc(-c4ccccc4)cc23)nc2ccccn12 90610229 CCGCIOQSQWCDQC-UHFFFAOYSA-N 385.452 3.697 0 40 GHAB CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)N[C@H]1CC[C@@H](CO)CC1)OCC3 677572809 CQFZDWDTARMFMW-GXYVPTEVSA-N 398.547 3.966 0 40 GHAB Cc1ccccc1CCC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96099455 MYYUFJRKLCTOBB-UHFFFAOYSA-N 389.492 3.532 0 40 GHAB CCN(CCNC(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1ccccc1C 48302963 FHQRHXVZJLDRCK-UHFFFAOYSA-N 390.531 3.983 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)CN1c1cccc(F)c1 1615157039 NQENXFOJOZPINA-NRFANRHFSA-N 390.405 3.502 0 40 GHAB Cc1cccc(C2(O)CCN(C(=O)CCc3nc4cc(C)c(C)cc4[nH]3)CC2)c1 12147514 XXAIHAUHQHDYSS-UHFFFAOYSA-N 391.515 3.931 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@@H](C)Cn3nc(C)nc3C)[C@@H]3CCCC[C@H]32)cc1 12162364 WLHWAEMDYALJLU-RFGLGESGSA-N 396.535 3.628 0 40 GHAB Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)CNCc2ccccc2)[C@@H]3CCC1 12437167 WDIFWXZIXFTCSR-GBXCKJPGSA-N 389.543 3.793 0 40 GHAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)CC 13610405 WILRWPYAXIOPEV-UHFFFAOYSA-N 386.517 3.912 0 40 GHAB Cc1ccc(Cl)cc1N(CCCC(=O)N(C)c1ccccc1)S(C)(=O)=O 13668943 ADHLLAGASASDRD-UHFFFAOYSA-N 394.924 3.858 0 40 GHAB O=C(NCCSCc1ccccc1Cl)c1ccc(N2CCOCC2)cc1 14399113 VNCGPQYZZBCMFM-UHFFFAOYSA-N 390.936 3.840 0 40 GHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc3c(c2)OCC(=O)N3)cs1 16277013 XKLNXZIAKBLHJQ-UHFFFAOYSA-N 391.452 3.652 0 40 GHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)c1 17078074 DZUTYEUPFRRVLU-UHFFFAOYSA-N 382.441 3.689 0 40 GHAB Cc1ccc([C@@H]2CCCN2C(=O)C[C@H]2NC(=O)N(C3CCCCC3)C2=O)cc1C 19213711 WBKVUWSUUFEYFX-UXHICEINSA-N 397.519 3.610 0 40 GHAB COc1cc(C)c(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1C(C)C 19567165 QKNVKSANTSQHSO-UHFFFAOYSA-N 381.480 3.753 0 40 GHAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3c3ccc(-c4cncnc4)cn3)c2c1 19688661 SQCHTEWXBLLSKX-HXUWFJFHSA-N 384.443 3.701 0 40 GHAB CC(C)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 19930527 KBNSWVDLVVRTEP-UHFFFAOYSA-N 386.517 3.822 0 40 GHAB O=C(CC1CC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643570789 ROEVDCRYRSARLZ-UHFFFAOYSA-N 385.504 3.744 0 40 GHAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCC2CCCCC2)Nc2ccccc21 257316701 VGQGWLODFISDMS-PDPLOHQNSA-N 381.520 3.671 0 40 GHAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ccnc(O)c1 585113725 WEWOZSFXTNMQQE-SFHVURJKSA-N 380.366 3.923 0 40 GHAB Cc1cnccc1OCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 1889231432 LGBXDHJRQQICQY-UHFFFAOYSA-N 394.450 3.850 0 40 GHAB COc1ccc2c(=O)n(CC3CCN([C@@H](C)c4ccccc4)CC3)cnc2c1 1889252845 FMULSVAQCJVQGN-KRWDZBQOSA-N 377.488 3.878 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037840780 QQTBFUBJESPTEX-HSZRJFAPSA-N 396.462 3.562 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 4251167 RNQSQDKZDKJTJB-UHFFFAOYSA-N 391.452 3.886 0 40 GHAB COc1cccc(C(=O)N2CCN(c3nc4ccc(C)cc4s3)CC2)c1OC 4583409 POBIBCVEUBOOHU-UHFFFAOYSA-N 397.500 3.584 0 40 GHAB Cc1ccc(NC(=O)CSc2nccn(-c3ccc(F)c(F)c3)c2=O)cc1 4853323 WNTTYSNLGUCAJI-UHFFFAOYSA-N 387.411 3.550 0 40 GHAB O=C(Cn1cnc(-c2ccccc2)cc1=O)NC(c1ccccc1)c1ccccc1 13806323 AACXWPFLMQQYFA-UHFFFAOYSA-N 395.462 3.816 0 40 GHAB COC(=O)c1ccc(NC(=O)Cn2c(-c3cccnc3)nc3ccccc32)cc1 23144125 GMNYYQZNBYHDIA-UHFFFAOYSA-N 386.411 3.524 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 23127663 BIJFORJDNPFPLJ-UHFFFAOYSA-N 390.549 3.768 0 40 GHAB Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)COc3ccccc3)cc2)n1 23993980 GQEZZLNVSYDOCP-UHFFFAOYSA-N 377.448 3.612 0 40 GHAB COc1ccc(NC(=O)Nc2ccccc2NC(=O)c2cccnc2)cc1OC 38490159 OSVHCZNTGGBCMD-UHFFFAOYSA-N 392.415 3.995 0 40 GHAB COc1ccc(C)cc1CN(C)C(=O)NCc1ccc(NC(=O)C(C)C)cc1 30992074 HBDNMHHZPUFDBG-UHFFFAOYSA-N 383.492 3.940 0 40 GHAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N[C@@H](C(=O)O)c1ccccc1 20745889 GSTCJVZGJHCLNW-QGZVFWFLSA-N 386.860 3.948 0 40 GHAB COc1ccccc1N(CCC(N)=O)C(=O)[C@@H](c1ccc(Cl)cc1)C(C)C 32854598 JKNWBIIZBIBJMR-HXUWFJFHSA-N 388.895 3.997 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 32802104 UARFAXWVLHZDPF-AWEZNQCLSA-N 392.459 3.778 0 40 GHAB COc1ccc2[nH]cc(C3=CCN([C@@H](C)C(=O)Nc4nccs4)CC3)c2c1 53073813 NAJXHTSPBFJKOX-ZDUSSCGKSA-N 382.489 3.749 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C)ccc3OC)CC2)cc1 780411 HWLILMUZKUDALX-UHFFFAOYSA-N 382.460 3.503 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(OC)cc1 873188 MSPQTCJWMKRCBL-UHFFFAOYSA-N 398.488 3.713 0 40 GHAB CC(C)COC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 938355 KTIJLIAGJJZOEJ-CYBMUJFWSA-N 376.522 3.808 0 40 GHAB COC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2)c(C(=O)OC)c1C 994689 VFIJMZIOFAHKNY-RMKNXTFCSA-N 393.848 3.935 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)N(C)C)cc2c1 1367146 RYCWUPYDNYERQS-UHFFFAOYSA-N 393.487 3.919 0 40 GHAB Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CO[C@@H](C(C)C)C4 2268616 MCTHBRMCWCIAPK-OAHLLOKOSA-N 380.473 3.501 0 40 GHAB Cc1sc2nc(SCC(=O)Nc3ccc(F)cc3F)n(C)c(=O)c2c1C 2393567 YAAWWVHXYAUKMZ-UHFFFAOYSA-N 395.456 3.621 0 40 GHAB O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)NCCc1ccccc1 2651515 LRCPJCHTPOSZTA-UHFFFAOYSA-N 391.345 3.550 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)no1 2651714 HGTYAOIFGHOBFN-UHFFFAOYSA-N 375.479 3.926 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1SCc1ccc(F)cc1 2711437 FQTHKPIXTOWAOB-UHFFFAOYSA-N 384.885 3.773 0 40 GHAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1c(Cl)cccc1Cl 3412615 RACIFYVANKQWTI-UHFFFAOYSA-N 392.194 3.895 0 40 GHAB C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N1CCc2ccccc21 3447213 AYXMODIZODJUQX-GFCCVEGCSA-N 395.440 3.535 0 40 GHAB COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCCC2(CCCCC2)C1 4230451 LCVFFVOYIJHOAV-FQEVSTJZSA-N 383.540 3.764 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)c1 4264654 HBVFBVXYWGITHB-UHFFFAOYSA-N 379.416 3.885 0 40 GHAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1ccccc1 4305822 AMYOZYSZZODAGP-LJQANCHMSA-N 391.496 3.607 0 40 GHAB COc1ccc(-c2cnc(SCCNC(=O)c3ccc(F)c(F)c3)[nH]2)cc1 4315467 WKGRMNQZOWBFFB-UHFFFAOYSA-N 389.427 3.886 0 40 GHAB COc1ccc(CCNC(=O)CSc2ccc3ccccc3n2)cc1OC 4372080 IASPRZZCOLKOGL-UHFFFAOYSA-N 382.485 3.703 0 40 GHAB O=C(CSc1nnc(-c2ccccc2)n1-n1cccc1)Nc1ccccc1 4518566 YNNGTAFZNRNUMO-UHFFFAOYSA-N 375.457 3.789 0 40 GHAB CCCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccoc1C 4860360 DVUVBMJETCJNQP-UHFFFAOYSA-N 384.505 3.708 0 40 GHAB CS(=O)(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 4879381 XRFCRQZQSTUYMP-INIZCTEOSA-N 397.269 3.699 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1 5019484 IONYCVSDLOJWCE-UHFFFAOYSA-N 386.429 3.737 0 40 GHAB Cc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)cc1 5343186 QMOKFKDSSHXVMW-HXUWFJFHSA-N 397.862 3.590 0 40 GHAB Cc1cc(C)c(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 5353995 DEIWONQZYWGYOA-UHFFFAOYSA-N 391.880 3.794 0 40 GHAB O=C1c2ccccc2C(=O)N1CCCc1nnc(C23CC4CC(CC(C4)C2)C3)o1 6927966 IVEKWYDTHBGANM-UHFFFAOYSA-N 391.471 3.766 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1 7050249 FKKGDSCLJNDTJE-ZDUSSCGKSA-N 395.406 3.931 0 40 GHAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)C(F)(F)F)cc2Cl)CC1 7496722 SZVZUMNXWCOVSX-UHFFFAOYSA-N 391.821 3.536 0 40 GHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)n2)s1 7735517 QPFBEUBNNNLDMM-GFCCVEGCSA-N 375.519 3.910 0 40 GHAB COc1ccc([C@@H](NS(=O)(=O)c2cccc(C(C)=O)c2)c2ccccc2)cc1 8073331 KIJKFOHJCOYCES-QFIPXVFZSA-N 395.480 3.966 0 40 GHAB COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1 8114227 GANMNRMFUPOUPW-VCHYOVAHSA-N 380.425 3.812 0 40 GHAB C[C@@H]1CCc2c(sc3ncnc(Sc4nnc(CN5CCCC5)o4)c23)C1 8201043 NFWBGJXYJUKMDZ-LLVKDONJSA-N 387.534 3.946 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 8216843 KPMISGIYXJHUKD-QGZVFWFLSA-N 380.444 3.553 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc2NC1=O 8312514 AANLQFHDKCSBTC-CYBMUJFWSA-N 388.427 3.721 0 40 GHAB CN(C)C(=O)CSc1ccccc1C(=O)NCCCn1ccc2ccccc21 8728084 WMFNFVBOIWZBPU-UHFFFAOYSA-N 395.528 3.642 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=O)C1CCN(Cc2ccccc2C)CC1 9062553 MNNLJABRHJFQFH-HSZRJFAPSA-N 385.596 3.978 0 40 GHAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(-c2ccccc2F)o1 9217122 XNOJRGHNUBUARQ-ZAHGZRRWSA-N 390.414 3.538 0 40 GHAB COCCCNc1nc(-c2ccccn2)nc2c1CCN(Cc1ccccc1)C2 12123193 DICWNWQBUCYTTQ-UHFFFAOYSA-N 389.503 3.545 0 40 GHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)C[C@@H]2NC(=O)c3ccccc32)n1 12227320 SYCYLBXVIKZMLU-DLBZAZTESA-N 397.525 3.788 0 40 GHAB O=C(OCc1cc(-c2cccs2)on1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 12236767 GXFHHYIKUBUXQV-GFCCVEGCSA-N 386.404 3.639 0 40 GHAB CCCc1ncc(CN2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)cn1 12242200 ABPTZCSKZMNJFO-GOSISDBHSA-N 380.496 3.521 0 40 GHAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(N)n(Cc2ccc(F)cc2)c1C 12372594 APVXVTMIENESMN-UHFFFAOYSA-N 376.428 3.846 0 40 GHAB CCN1CCN(c2ccc(NC(=O)CN(C)[C@H](C)c3cccs3)cc2)CC1 12558405 IGBWIRQBRIUKLD-QGZVFWFLSA-N 386.565 3.522 0 40 GHAB CCN1CCN(c2ccccc2NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 12560603 LGJBUKAYEATNJK-UHFFFAOYSA-N 387.549 3.555 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 12855782 KUSFPDKUPXQUHO-CYBMUJFWSA-N 392.908 3.926 0 40 GHAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)c1cccc3ccccc13)C2=O 12984959 CSYPZRPRQJFJRT-PMFMOCITSA-N 393.487 3.518 0 40 GHAB Cc1ccc(CCC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1Cl 13013091 LOLYNCABFYSUDX-GOSISDBHSA-N 392.952 3.832 0 40 GHAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1c(F)cccc1Cl 13039168 QVDCCOCWXOWKKJ-UHFFFAOYSA-N 387.842 3.695 0 40 GHAB O=C1C[C@H](c2c(F)cccc2Cl)c2c(O)nc3nc4ccccc4n3c2N1 13731084 UEOLMBKCKUXOII-SECBINFHSA-N 382.782 3.855 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)CCOc3ccccc3)c12 14015213 MIZCBCWPKLQUBG-UHFFFAOYSA-N 377.400 3.942 0 40 GHAB CCn1c(COc2ccccc2)nnc1SCC(=O)N[C@@H](C)c1ccccc1 14087834 NVWWXDWCDFMLDB-INIZCTEOSA-N 396.516 3.847 0 40 GHAB CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 14122738 RBAXHAXTOAVTIB-UHFFFAOYSA-N 388.533 3.555 0 40 GHAB Cc1sc(NC(=O)Cn2c(=O)cnc3ccccc32)nc1-c1ccc(F)cc1 14911142 IFXFCMKZTAPREL-UHFFFAOYSA-N 394.431 3.606 0 40 GHAB CC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)cc1 15935454 CJJCDJQHNUHJAB-UHFFFAOYSA-N 384.501 3.965 0 40 GHAB COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)N[C@@]23C(=O)Nc2ccccc23)cc1 16026547 HXEBBNTUZKJLOZ-BVZALQNUSA-N 393.487 3.506 0 40 GHAB biogenic CN(Cc1cccs1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 18081733 FZAAAANZYUBUAY-UHFFFAOYSA-N 386.498 3.821 0 40 GHAB CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(OCC)c(OC)c1)C2=O 19323600 ZWUYTQQSDZFCQR-UHFFFAOYSA-N 386.536 3.879 0 40 GHAB biogenic CO[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2C)C1 19657260 ZCSGCBUVRMKWFA-ROUUACIJSA-N 393.491 3.860 0 40 GHAB CCc1cccc(C)c1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20486380 KOLPTPQJIUFVQE-UHFFFAOYSA-N 386.517 3.735 0 40 GHAB CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)n2c1nc1ccccc12 20726857 LFIMEJDYQOMVOW-IBGZPJMESA-N 392.459 3.762 0 40 GHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccsc1 21558219 LATRQVNQFMCPHD-MRXNPFEDSA-N 396.965 3.912 0 40 GHAB CC(C)c1ccc(CN2CCN(C(=O)c3cncn3-c3ccccc3)CC2)cc1 21789505 RIFMUUZPBBHLAX-UHFFFAOYSA-N 388.515 3.954 0 40 GHAB COc1ccc([C@H](CNc2nn3cnnc3c3ccccc23)N2CCCC2)cc1 21798690 LPSLUJIBAIQQKV-FQEVSTJZSA-N 388.475 3.535 0 40 GHAB Cc1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1N1CCCC1=O 22509854 HIJHAERZHBROJH-UHFFFAOYSA-N 398.406 3.941 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)cc2)c(C)c1 22516823 BMTPCVYDVMZQNE-SFHVURJKSA-N 390.480 3.543 0 40 GHAB C[C@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(F)cc1 22526137 LDRMNMMCAQIZII-QWHCGFSZSA-N 398.887 3.511 0 40 GHAB C[C@H](C(=O)NCc1ccccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 22787916 DEWSNZJEPXQEKX-QPGLYAHGSA-N 397.950 3.676 0 40 GHAB COc1ccccc1CN(C)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 23595285 PEKGVOXZSYUNQS-UHFFFAOYSA-N 396.874 3.831 0 40 GHAB O=C(c1cc(F)c(F)c(F)c1F)N1CCN(C/C=C/c2ccccc2)CC1 25336669 ZWOOPCDCGFIFLZ-QPJJXVBHSA-N 378.369 3.714 0 40 GHAB COc1ccc(OC)c(CN(C(=O)c2cc(=O)c3ccccc3o2)C2CC2)c1 25804272 NXMNEIWNXUPOPV-UHFFFAOYSA-N 379.412 3.615 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)c1cccn1C)CC2 26474993 ICSSPKWSQCZNMY-JOCHJYFZSA-N 396.512 3.934 0 40 GHAB O=C(c1cccs1)N1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1 30784948 DFGWYIRSSKIMDB-UHFFFAOYSA-N 391.496 3.772 0 40 GHAB C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)c1ccc2c(c1)NC(=O)CO2 32741739 VGFDDVXXMGLNAE-NSHDSACASA-N 397.431 3.910 0 40 GHAB CCc1cccc(C)c1Nc1nnc(SCC(=O)NCC(F)(F)F)s1 32824162 VASUTQJESQJAPY-UHFFFAOYSA-N 390.456 3.923 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 33146321 ONVNMFWLTGVAEM-HNNXBMFYSA-N 392.908 3.688 0 40 GHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCc2sccc2[C@H]1c1ccccc1 35400186 DWHOKXPEZHFKMN-FUHIMQAGSA-N 378.497 3.604 0 40 GHAB O=C(Nc1ccccc1NC(=O)c1ccc(Br)o1)c1ccccn1 38490116 ARHPFIMPKPLXKX-UHFFFAOYSA-N 386.205 3.942 0 40 GHAB Cc1ccc(-c2nc(CC(=O)Nc3ccc(N4CCOCC4)cc3)cs2)o1 40073403 FTUZISIDINWNGO-UHFFFAOYSA-N 383.473 3.729 0 40 GHAB O=C(NCCC(=O)N1CCCc2ccccc21)c1ccccc1Br 40122527 NAMDQETYABLKRN-UHFFFAOYSA-N 387.277 3.548 0 40 GHAB O=C(c1ccccc1OC(F)F)N1CCN(Cc2ccc(Cl)s2)CC1 40162107 ZEQMLVMXQOUSED-UHFFFAOYSA-N 386.851 3.961 0 40 GHAB COc1cc(Br)c2oc(-c3ccc(-n4cnnc4)cc3O)nc2c1 45920471 RQSJYWBGRXLSCD-UHFFFAOYSA-N 387.193 3.552 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)nc1 46819934 MAUBLQULZSKARA-INIZCTEOSA-N 397.906 3.952 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1nc2ccccc2s1 48287255 TWLHGCUTZRDZMB-SFHVURJKSA-N 377.469 3.877 0 40 GHAB CCOc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4)CC3)n[nH]2)cc1 51315716 DAQZOIWVKAVAPZ-UHFFFAOYSA-N 390.487 3.746 0 40 GHAB Cc1ccc(C(=O)COC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](C)N3)c(C)c1 51353957 CSRZCTUPHDIQMJ-WBMJQRKESA-N 395.381 3.847 0 40 GHAB CCc1ccc(NC(=O)CN2CCN(c3nc4ccccc4s3)CC2)cc1 57243009 RATAEYRTERQIBZ-UHFFFAOYSA-N 380.517 3.619 0 40 GHAB Cc1nc(SCC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)oc1C 58244461 ZOVBHOQUTDIDPZ-BETUJISGSA-N 375.494 3.636 0 40 GHAB COCC[C@@H](C)NC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 60345436 SWNNMOWEPNEYOJ-SNVBAGLBSA-N 375.778 3.699 0 40 GHAB O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 61720295 SFOYQYCGDBJZLF-YCPHGPKFSA-N 384.863 3.549 0 40 GHAB O=C(NCc1cc(Br)c2c(c1)OCO2)c1ccc2ccccc2n1 63715861 PPLBYWLKLXYMBK-UHFFFAOYSA-N 385.217 3.656 0 40 GHAB Cc1csc([C@@](O)(CC(=O)Nc2ccc(OC(F)F)cc2)C(F)(F)F)n1 65621090 IEWDSIIMUCSPPG-AWEZNQCLSA-N 396.337 3.832 0 40 GHAB COc1ccc(N2C(=O)C[C@@H](c3ccc(F)cc3)c3sc(=O)n(C)c32)cc1 66089697 FSICEILIHKKBJR-INIZCTEOSA-N 384.432 3.795 0 40 GHAB c1cncc(-c2noc([C@H]3CC34CCN(c3ncnc5ccccc35)CC4)n2)c1 69741481 MBWMDJHAZXDFNH-QGZVFWFLSA-N 384.443 3.849 0 40 GHAB CCN1C[C@@H](CN(C)Cc2nc3cc(F)ccc3n2CC)Oc2ccccc21 69876711 CVYBKVIOMGWDKG-QGZVFWFLSA-N 382.483 3.915 0 40 GHAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 71885564 ZWNISYVJLRYHNC-ZDUSSCGKSA-N 377.366 3.780 0 40 GHAB CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)[C@H]1COCCO1 72285470 LNLKOPXELWOYIG-JOCHJYFZSA-N 397.515 3.955 0 40 GHAB Cc1ccc2c(n1)N(C)[C@H](c1ccc(NC(=O)C3CCCCC3)cc1)NC2=O 72341185 WECXZDKJLYXUJB-LJQANCHMSA-N 378.476 3.787 0 40 GHAB CS(=O)(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357734 AHTSBPOVXWMUOZ-QGZVFWFLSA-N 384.423 3.788 0 40 GHAB Cc1ccc(Oc2cccc([C@@H]3CCCN3C(=O)c3ccc(=O)n(C)c3)n2)cc1 72384324 AINWWBSAOVMAID-FQEVSTJZSA-N 389.455 3.858 0 40 GHAB C[C@H]1CC[C@@H](C(N)=O)CN1Cc1csc(-c2ccc(Br)cc2)n1 79025960 CIDZSAXKXHZTLV-WCQYABFASA-N 394.338 3.658 0 40 GHAB Cc1cc2nnc(SC[C@H]3CO[C@@H](c4ccc(Cl)cc4)O3)n2c(C)n1 89610807 YPGIOYOGGRIBIQ-GDBMZVCRSA-N 376.869 3.601 0 40 GHAB OCC[C@H]1COCCN1c1nc(C2CC2)nc2scc(-c3ccccc3)c12 95446153 MGZWOSKXHSSHJZ-INIZCTEOSA-N 381.501 3.823 0 40 GHAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(Cl)cc2)C3)cc1 96269258 YILBMKDCLPGJRO-IBGZPJMESA-N 383.879 3.901 0 40 GHAB biogenic,in-vitro C[C@@H](CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(Cn2cccn2)c1 97037330 LVEKFPLUBIAEET-KRWDZBQOSA-N 388.471 3.808 0 40 GHAB COc1ccc(CN2CCc3c(nc4cc(-c5ccoc5C)nn4c3O)C2)cc1 100182198 FCPWJGRCSOLCHC-UHFFFAOYSA-N 390.443 3.570 0 40 GHAB Cc1nnc(S[C@@H]2CC(=O)N(c3ccc(-c4ccccc4)cc3)C2=O)s1 100731294 JDDMASIYBUBLLC-MRXNPFEDSA-N 381.482 3.938 0 40 GHAB COc1cc(NC(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1N1CCOC1=O 102122487 OZWLBIIPJZLBLQ-QKAVXHIFSA-N 387.480 3.988 0 40 GHAB COc1cc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)cc1OC 102670027 XCHVDNHKYYKHSE-GOSISDBHSA-N 384.436 3.612 0 40 GHAB O=S1(=O)C[C@H]2[C@H](C1)[C@]1(c3ccccc3)O[C@]2(c2ccccc2)c2ccccc21 104280880 PCFRRWOHRVAVDS-CJRSTVEYSA-N 388.488 3.878 0 40 GHAB Cc1c(C(=O)N(C)Cc2ccc(F)c(F)c2)nnn1-c1cccc2cnccc12 108687298 AMSBNYFMYFOUAV-UHFFFAOYSA-N 393.397 3.674 0 40 GHAB CC(C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 216356662 YAEQKKZGOMOLET-UHFFFAOYSA-N 380.897 3.917 0 40 GHAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1ccc2c(c1)OCO2 222656144 SHRTXVJYSVZRNC-UHFFFAOYSA-N 399.834 3.710 0 40 GHAB CC(C)c1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1 223632041 ISPYNWFUIJLQCY-UHFFFAOYSA-N 382.570 3.907 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccccc1Cl 223642953 DZEPTGGSHMHYOK-UHFFFAOYSA-N 397.909 3.803 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)ccc1Cl 223832792 YLJRYXIXRWSIHW-UHFFFAOYSA-N 383.853 3.715 0 40 GHAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(N2CCOCC2)nc1 223973513 ZLUMTGAQAFECCQ-UHFFFAOYSA-N 396.560 3.717 0 40 GHAB Cc1cc(C(=O)NC(C)(C)C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224001595 ADYBQIXWWNFFPV-UHFFFAOYSA-N 380.897 3.978 0 40 GHAB CCn1c(=O)sc2cc(NC(=O)c3ccc(Cn4ccnc4C)cc3)ccc21 225126341 SIVGBQKNZASTKE-UHFFFAOYSA-N 392.484 3.888 0 40 GHAB O=C(c1cc(-c2ccco2)on1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225728970 OJOIACSOMYXATA-GFCCVEGCSA-N 393.321 3.642 0 40 GHAB Cc1cccc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)oc12 226035410 OJLRGMPFRPCTMW-UHFFFAOYSA-N 382.847 3.717 0 40 GHAB CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(-n2cccc2)c1 226245796 POXDXWKEBKLNKD-UHFFFAOYSA-N 389.499 3.976 0 40 GHAB Cc1nc2sc([C@H](c3ccccc3Cl)N3C[C@H](C)O[C@@H](C)C3)c(O)n2n1 227779762 IQSWARWUUVMLHU-PGUXBMHVSA-N 392.912 3.657 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccncc3)C2=O)cc1Cl 409181890 GMVVYPQLCOOYOD-OVCLIPMQSA-N 387.848 3.718 0 40 GHAB COc1cc(CN2CC[C@@H](Nc3nc(C)cc(C(F)(F)F)n3)C2)cc(OC)c1 543435822 ZYYWBMHBYZTTFF-CQSZACIVSA-N 396.413 3.507 0 40 GHAB O=C1C[C@@]2(CCN(C(=O)Nc3c(Cl)ccc4c3CCO4)C2)Oc2ccccc21 575155915 OBEROOARMUZUOQ-OAQYLSRUSA-N 398.846 3.917 0 40 GHAB CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2cncc(-c3ccoc3)c2)CC1 575621042 UDHKMXSFWGRSJJ-UHFFFAOYSA-N 399.491 3.995 0 40 GHAB Cc1cnc(NC(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)nc1-c1ccccc1 578300879 OBBKHIHHKMHNLW-KBUPBQIOSA-N 377.366 3.746 0 40 GHAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c1 585083387 DJQCJCLVHDZDKT-KRWDZBQOSA-N 392.546 3.578 0 40 GHAB COCCN1CCC[C@]12CCCN(C(=O)c1cc3ccccc3cc1O)CC2 585100314 JYSGBDDWJXLUAC-QHCPKHFHSA-N 382.504 3.653 0 40 GHAB Cn1cnc(CN2CCC[C@@H]2c2csc(NC(=O)c3ccc(F)cc3)n2)c1 585295134 MTOCNJYEYGHBHZ-QGZVFWFLSA-N 385.468 3.605 0 40 GHAB COc1ccccc1C1(C(=O)NC[C@@H](c2ccco2)n2nc(C)cc2C)CC1 585368182 RYPLTCQPZDNAGK-SFHVURJKSA-N 379.460 3.539 0 40 GHAB CO[C@@H](C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)[C@@H]1CCOC1 612755743 MEQQBXBSRYPAJL-KZULUSFZSA-N 384.457 3.659 0 40 GHAB Cc1ccc(CC2CN(C(=O)NCCc3cccc(C(F)(F)F)n3)C2)cc1 664956105 CWFOZWRCZDLYDJ-UHFFFAOYSA-N 377.410 3.835 0 40 GHAB O=C(NC1(CO)Cc2ccccc2C1)c1sc2cc(F)ccc2c1Cl 673112703 RZPALSHBSOVMEL-UHFFFAOYSA-N 375.852 3.954 0 40 GHAB CCCn1cc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)cn1 1615160067 XNIXHLFVVILQLH-UZLBHIALSA-N 384.499 3.952 0 40 GHAB O=C1C[C@]2(CCCN(Cc3cccc(F)c3F)CC2)Nc2ccccc2CN1 2037988807 JLHZYWHEXXLHIS-JOCHJYFZSA-N 385.458 3.822 0 40 GHAB COc1cc(O)ccc1NC(=O)c1cccc(-c2ccnn2[C@@H]2CCCCO2)n1 1857793399 YDMJAVBZWDIJIJ-FQEVSTJZSA-N 394.431 3.611 0 40 GHAB Cn1nc2c(c1NC(=O)C13C[C@H]4C[C@@H](CC(Br)(C4)C1)C3)CCC2 103951000 YCRFUOUBHYSDJH-SKLAPFLYSA-N 378.314 3.581 0 40 GHAB COc1cccc(OC)c1NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(C)c1 1343051 VEYKUHDPOOYJGP-MRXNPFEDSA-N 383.448 3.647 0 40 GHAB Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2ccco2)cc1C 1353872 LNPMGTNRDDYGJL-UHFFFAOYSA-N 380.419 3.999 0 40 GHAB c1ccc(CN2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)cc1 22752009 NBTXQISGEPGYEY-UHFFFAOYSA-N 393.512 3.857 0 40 GHAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccco2)CC1 22914787 JFJKFFTYISWVRN-CYBMUJFWSA-N 382.291 3.731 0 40 GHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCc2ccccc2C1 3230930 CYJHMBCWBLXGAH-UHFFFAOYSA-N 390.468 3.895 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(N3CCNC3=O)cc2)cc1 54321193 QQJOUNTZEWJCLE-OAQYLSRUSA-N 393.487 3.982 0 40 GHAB O=C(CCSc1nnc(N2CCCCC2)n1C1CC1)NC1CCCCC1 23504658 HCSVSLJQAXWAQQ-UHFFFAOYSA-N 377.558 3.534 0 40 GHAB Cc1nc(NC(=S)NC(=O)/C=C/c2ccccc2)ccc1Br 6571284 BCEKXVYCHUHKIC-JXMROGBWSA-N 376.279 3.679 0 40 GHAB CCCc1nnc(CSc2nnc(-c3cccc(NC(C)=O)c3)n2CC)o1 7604704 FAROPOOELUMGQQ-UHFFFAOYSA-N 386.481 3.551 0 40 GHAB CCN1C(=S)N[C@H]2c3ccccc3O[C@@]1(C)[C@@H]2C(=O)Nc1ccc(C)cc1C 102732500 OFSKZWFLLAXZDQ-IPJJNNNSSA-N 395.528 3.918 0 40 GHAB COc1ccc2c(c1)CCN2C(=O)c1ccn(-c2cccc(Br)c2)n1 106637774 DQBKGIKCXWEPJU-UHFFFAOYSA-N 398.260 3.846 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(OC)cc2)cc1 1791518 RPGPMAALTLZZJI-CQSZACIVSA-N 388.489 3.793 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(Nc2ccc(F)c(C)c2)n1 57507699 KKFQWVXWLZELBV-UHFFFAOYSA-N 394.450 3.998 0 40 GHAB O=C(CCCc1nc(-c2cccs2)no1)N1CCO[C@@H](c2ccccc2)C1 48276430 NMPJGQPSPQOIPZ-MRXNPFEDSA-N 383.473 3.721 0 40 GHAB CSCC[C@@H](C(=O)Nc1ccc(C)cc1C)N1C(=O)c2ccccc2C1=O 2064719 LOSPNTSYUQWMPG-SFHVURJKSA-N 382.485 3.660 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc(Cl)c(Cl)c1 3387002 OCSMNRAZQZPJQV-UHFFFAOYSA-N 398.290 3.967 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCc2sccc2C1)c1ccccc1 10885684 YBLKXJPDTKICSW-HXUWFJFHSA-N 390.508 3.674 0 40 GHAB COc1ccccc1OCC(=O)Nc1nc2c(cc(OC)c3ncccc32)s1 28403129 DNBGPAMFQNVEFF-UHFFFAOYSA-N 395.440 3.879 0 40 GHAB CCN(CC)CCNc1ncnc2c1oc1nc(C)c3c(c12)CC(C)(C)OC3 2334748 VKUWOCILRWIBTC-UHFFFAOYSA-N 383.496 3.684 0 40 GHAB CCSc1nnc(NC(=O)c2ccc(COCC(F)(F)F)cc2)s1 28678322 MPKQUPXSVJWCJP-UHFFFAOYSA-N 377.413 3.981 0 40 GHAB CCN(CC)CCNC(=O)c1c(C)oc2cc(Br)c(OC)cc12 2427767 UKUNBOIMNFKKAW-UHFFFAOYSA-N 383.286 3.584 0 40 GHAB CCOc1ccc(-c2nsc(NC(=O)c3ccc(OC)cc3)n2)cc1OC 28286731 UBXKKTJIMXTRCF-UHFFFAOYSA-N 385.445 3.873 0 40 GHAB Cc1ccc(Oc2ccccc2NC(=O)c2cccc(OCC(N)=O)c2)cc1 28998042 ZCHSUVIAFQVDQL-UHFFFAOYSA-N 376.412 3.904 0 40 GHAB CCN(CC)[C@H](CNC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1 29166799 SBXKDBJXFBDVGZ-HXUWFJFHSA-N 392.503 3.869 0 40 GHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1nc(-c2cccs2)cs1 12854356 BIXISVCEADDIPF-UHFFFAOYSA-N 382.470 3.679 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)c1cc(C)n(Cc2ccco2)c1C 12820946 HMTFIIYWFMMJKB-UHFFFAOYSA-N 398.459 3.702 0 40 GHAB CSCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 2796936 WZISHJCKJPDOSZ-AWEZNQCLSA-N 388.411 3.582 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 12999685 VPNMOCPSQYCQEY-CYBMUJFWSA-N 394.406 3.600 0 40 GHAB C[C@@H]1CN(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)O1 13133961 QJIQFHNUNAUHQZ-WHSLLNHNSA-N 391.458 3.541 0 40 GHAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 113949879 GFCAMRLDQGWEAE-KRWDZBQOSA-N 386.517 3.778 0 40 GHAB CC(C)Oc1ccc(CN[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)cn1 95462780 MLGLRDOUEQORGM-HXUWFJFHSA-N 381.520 3.947 0 40 GHAB COc1cccc(CSc2nc3cc(OC)c(OC)cc3c3nc(C)nn23)c1 4050885 FTMVMEHVFOROCX-UHFFFAOYSA-N 396.472 3.904 0 40 GHAB CCCCOc1ccc(C(=O)N[C@@H](C)[C@H]2COc3ccccc3O2)cc1OC 4163879 IWOYIVRYVLATFW-YCRPNKLZSA-N 385.460 3.832 0 40 GHAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)[C@@H](O)c1ccc(F)cc1 49625230 CSXCFLIOJGWGKJ-RTWAWAEBSA-N 389.430 3.836 0 40 GHAB COc1ccccc1CSc1nnc(Nc2cccc(C)c2C)c(=O)n1C 28527412 UROKDDXCKOHPFH-UHFFFAOYSA-N 382.489 3.837 0 40 GHAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)-c1ccccc1C2 5021235 LPCNDETWDRQFQK-QHCPKHFHSA-N 386.403 3.824 0 40 GHAB COc1cc(CCC(=O)N[C@@H]2CCSc3ccccc32)cc(OC)c1OC 5176889 OJDOUOUOOQLORG-MRXNPFEDSA-N 387.501 3.998 0 40 GHAB CCOc1ccc(NC(=O)CCSc2nnc(-c3cccnc3)n2CC)cc1 9304365 LMWSOZIATGBXAZ-UHFFFAOYSA-N 397.504 3.880 0 40 GHAB O=C(COc1ccccc1)Nc1nnc(SCC(=O)c2ccccc2)s1 6474589 OZYAKYSNVBMVFA-UHFFFAOYSA-N 385.470 3.531 0 40 GHAB Cn1ccnc1[C@@H](Nc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccccc1 9318870 ZUFVOIVLAHHRCJ-IBGZPJMESA-N 399.433 3.890 0 40 GHAB Cc1c(-c2ccccc2)sc(NC(=O)C2CCC2)c1C(=O)N1CCOCC1 6553548 FOMICUVTCZUNDR-UHFFFAOYSA-N 384.501 3.935 0 40 GHAB Cc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 9426963 DPJUMNUJCAHMSU-LLVKDONJSA-N 387.288 3.607 0 40 GHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2F)n2ncnc2N1 4705303 OGQFNVUXNAKFMC-KRWDZBQOSA-N 383.814 3.998 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(C)c(C)c1)S2 6811804 KEXYCJCWAYOGTI-RTBURBONSA-N 393.516 3.855 0 40 GHAB CCCCC(=O)NC(=S)N(C)c1ccccc1C(=O)NC1CCCCC1 6859285 JWEWVQBUFCPLCW-UHFFFAOYSA-N 375.538 3.777 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C)o2)cc1OC 4943107 VCULDFDMQWHZLL-UHFFFAOYSA-N 399.472 3.717 0 40 GHAB O=C(NCc1ccc(F)cc1)N1CCCC[C@@H]1c1nc(-c2ccncc2)no1 67350687 ZYBACRNWOJQCAS-QGZVFWFLSA-N 381.411 3.708 0 40 GHAB O=C(COc1ccc(-c2nnco2)cc1)N(Cc1ccccc1)Cc1ccco1 7773984 CTSXPXWXVMGRDV-UHFFFAOYSA-N 389.411 3.937 0 40 GHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCc2ccco2)cc1 7778048 BJSYJYSEUGRNKE-UHFFFAOYSA-N 390.505 3.804 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)Cc1cc(Cl)cc2c1OCOC2 7912389 YHAFWLBIVWVJHP-UHFFFAOYSA-N 381.259 3.930 0 40 GHAB CS(=O)(=O)c1ccc(-c2csc(NC(=O)/C=C/c3ccccc3)n2)cc1 8116110 PYPXCGDEMCAVGV-KPKJPENVSA-N 384.482 3.866 0 40 GHAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1cccc2ccccc12 8187997 QEXVFWOBJXGBMV-UHFFFAOYSA-N 393.531 3.893 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)cc1C 8336416 FRXOONIXRRUXOK-UHFFFAOYSA-N 385.938 3.869 0 40 GHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)N2CCC[C@@H]2c2cccs2)c1 8395526 UXOSKFICSSFJPS-OAHLLOKOSA-N 399.545 3.796 0 40 GHAB Cc1occc1-c1nnc2n1N=C(c1ccc(Br)cc1)CS2 8401000 MMMIQCJQMBLHJO-UHFFFAOYSA-N 375.251 3.967 0 40 GHAB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccccc1F 8748134 AZXCJNFKZZSFNN-HNNXBMFYSA-N 397.427 3.658 0 40 GHAB O=C(Nc1nc(CC(=O)N2CCCc3ccccc32)cs1)c1cccs1 9817713 VUYIUKPUINNXKY-UHFFFAOYSA-N 383.498 3.979 0 40 GHAB Cc1c(C)n(-c2ccc(Cl)cc2)c2ncnc(NC(=O)c3cnccn3)c12 97166199 DFFCCRIRWXZXIC-UHFFFAOYSA-N 378.823 3.733 0 40 GHAB Cc1sc(NC(=O)c2ccc(-n3cncn3)nc2)nc1-c1ccc(Cl)cc1 95947435 WKYFWNSDTGWLBM-UHFFFAOYSA-N 396.863 4.000 0 40 GHAB Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 89548160 AIOJLFBGVGPTDO-UHFFFAOYSA-N 393.403 3.540 0 40 GHAB Clc1cc(Cc2nc([C@@H]3CCOc4ccccc43)no2)cc2c1OCCO2 546399592 HPHYGERKXSQJPT-CQSZACIVSA-N 384.819 3.999 0 40 GHAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC[C@H]1c1nnc2ccccn12 524734369 XXSQXDURTHQDRD-AWEZNQCLSA-N 391.353 3.997 0 40 GHAB Cc1cnc(COCC(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)o1 552186717 RIDDFSLDCGAKGQ-SFHVURJKSA-N 380.448 3.644 0 40 GHAB O=C(c1ccccn1)N1Cc2ccccc2[C@H](c2nccn2Cc2cccnc2)C1 306139914 UDSOXZAZELJFFG-OAQYLSRUSA-N 395.466 3.509 0 40 GHAB O=C1C[C@@H](Nc2ccc(Br)cc2)C(=O)N1c1ccccc1Cl 36635785 VHFZJFWCYSEEOO-CYBMUJFWSA-N 379.641 3.847 0 40 GHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219320462 STBFVZQRVZHVPX-HNNXBMFYSA-N 393.867 3.840 0 40 GHAB COc1cccc(CNC(=O)c2nnn(-c3ccc(C)cc3)c2-c2cccnc2)c1 38487470 LYNYNIZCPIYNQE-UHFFFAOYSA-N 399.454 3.576 0 40 GHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(-n4ccnc4C)cc3)c12 32611683 NJRWPWCWVVIFNK-UHFFFAOYSA-N 386.459 3.901 0 40 GHAB CCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1c(C2CC2)[nH]c2ncccc12 72395509 PVWUANVDHUDVQO-WOJBJXKFSA-N 388.515 3.935 0 40 GHAB Cc1cc(C)n(CC2CCN(C(=O)CSc3nc4ccccc4o3)CC2)n1 62130773 OTOMQCFVNDUIAP-UHFFFAOYSA-N 384.505 3.672 0 40 GHAB CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222918647 WVIFSPSVWVCLPP-SFHVURJKSA-N 384.495 3.948 0 40 GHAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1C 223487000 VUFBLZUPWCQIQO-KRWDZBQOSA-N 388.533 3.807 0 40 GHAB COc1ccc(Cc2nc(-c3ccc4c(c3)OCCO4)no2)cc1OC(F)F 528104663 VVKCFFTYHQWNDQ-UHFFFAOYSA-N 390.342 3.709 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3ccccc3OC(F)F)c(C)c2)CC1 40159944 MQMGDLWHJXLDPD-UHFFFAOYSA-N 389.446 3.991 0 40 GHAB CCOC(=O)c1c(NC(=S)NC(=O)c2cccs2)sc2c1CCC2 40898448 QIMZRXAEWWNPDQ-UHFFFAOYSA-N 380.516 3.602 0 40 GHAB COC(=O)c1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)s1 46397742 LXNWFGOEGRDQIO-MRXNPFEDSA-N 395.484 3.587 0 40 GHAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Cl 223890616 BZCTZHIGDJVYSS-GFCCVEGCSA-N 381.881 3.633 0 40 GHAB CCN(c1ccc(C(=O)NCCCc2cccc(C)c2)cc1)S(=O)(=O)CC 222400618 SACUBXZRAXDLQW-UHFFFAOYSA-N 388.533 3.534 0 40 GHAB Cc1occc1C(=O)N1CCC2(CC1)C[C@H](CC(=O)N(C)C)c1ccccc1O2 96053171 KBTIFJSLFMSGFG-KRWDZBQOSA-N 396.487 3.607 0 40 GHAB O=C(O)CN(CC(F)(F)F)C(=O)OCC1c2ccccc2-c2ccccc21 96714526 XRLGIXQTAKEMSI-UHFFFAOYSA-N 379.334 3.884 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2nc(Cl)sc2CC(C)C)n1 96232658 ZJSPWWQBSURFKU-UHFFFAOYSA-N 387.914 3.809 0 40 GHAB CC(C)[C@H](NC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F)c1nnc2ccccn12 527720369 PCDDRTQQSWPSNC-DZKIICNBSA-N 389.450 3.788 0 40 GHAB CCO[C@@H](C)CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257336581 YPBOAQGBMWVVKF-SFHVURJKSA-N 382.504 3.629 0 40 GHAB CC[C@H](CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1)OC 257302864 SESQGDBPAQUADP-OAQYLSRUSA-N 382.504 3.629 0 40 GHAB COc1ccc(Nc2ncccc2C(=O)N(CC(=O)O)Cc2ccccc2)cc1 257244385 ILBDZRLJZCRUQI-UHFFFAOYSA-N 391.427 3.561 0 40 GHAB O=C(NCc1ccc(-c2cccnc2)cc1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 681794050 SKNGCNJDLKTCRD-DEOSSOPVSA-N 398.466 3.554 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CCC(Oc2cc(C)nc(C)n2)CC1 390827661 IQEVHUANZNNIMR-UHFFFAOYSA-N 390.871 3.831 0 40 GHAB CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 103469035 QENSIGLAJLQUMI-MJGOQNOKSA-N 380.488 3.956 0 40 GHAB O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(OCc2cscn2)cc1 11582144 XLVFALBMJXGWBJ-UHFFFAOYSA-N 390.468 3.838 0 40 GHAB COc1ccc(N2C[C@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCC3)cc1 15953391 LGZOZARSFKNPGL-NRFANRHFSA-N 389.422 3.557 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(F)c1 16071146 FEPLOICYCJRTKK-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)c(C)c2)cc1 18076983 XVEMXWXBPTVYIP-UHFFFAOYSA-N 388.533 3.905 0 40 GHAB Cc1ccc([C@@H]2CN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)C[C@H]2c2csnn2)cc1 19211949 MQBKVYMSVBLMOP-KVPLUYHFSA-N 398.576 3.534 0 40 GHAB Cc1cccc(OC[C@H]2CCCN(C(=O)[C@@H](C)Oc3ccc4c(c3)OCO4)C2)c1 19235156 KBKZBAXJKWAPEY-MSOLQXFVSA-N 397.471 3.809 0 40 GHAB O=C(NCc1ccccc1-n1ccnc1)C1(c2ccc(Cl)cc2)CCOCC1 19349485 LTZVXBHAJUARHB-UHFFFAOYSA-N 395.890 3.890 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)c1cccc(OC)c1)Cc1ccccc1O2 19591980 KXJBBDXUKKCTFF-UHFFFAOYSA-N 380.488 3.631 0 40 GHAB Cc1cc(C)c2cc(C(=O)Nc3cccc(N4CCCCS4(=O)=O)c3)[nH]c2c1 19663427 RTKXLJWSOHOHES-UHFFFAOYSA-N 397.500 3.967 0 40 GHAB COCC(=O)N1CCc2sccc2[C@H]1c1ccc(NC(=O)c2ccco2)cc1 12188772 XJNORDHLNHYKPJ-HXUWFJFHSA-N 396.468 3.714 0 40 GHAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)n1 10431188 AJTKCBSYBHTZDE-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 21183428 QPDRHRLCMUMCFL-GOSISDBHSA-N 378.881 3.728 0 40 GHAB CCOc1ccccc1C(=O)Nc1nnc(-c2cc(OC)ccc2OC)s1 4087724 SLAKCZOZAUTKQF-UHFFFAOYSA-N 385.445 3.873 0 40 GHAB O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1ccc(Br)o1 9037891 KQRGELVOBUXWME-UHFFFAOYSA-N 389.249 3.589 0 40 GHAB Cc1ccc(-n2nnnc2CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 9571296 FUCDHYZDRJRLFH-UHFFFAOYSA-N 391.262 3.908 0 40 GHAB CCN(CC)CCN(C(=O)c1cc(C)on1)c1nc2c(F)cc(F)cc2s1 11613304 DVAGIXSHKRJQHZ-UHFFFAOYSA-N 394.447 3.860 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1C 22732498 KUZKFHRVVPXVBK-KRWDZBQOSA-N 392.546 3.937 0 40 GHAB Cc1cc(F)ccc1NC(=O)c1c(O)c2cccnc2n(-c2ccccc2)c1=O 101301768 WLHHNYFQGRXQGX-UHFFFAOYSA-N 389.386 3.791 0 40 GHAB Cc1ccc(-n2nnc(C(=O)NCCc3cccs3)c2-c2cccnc2)cc1 38487485 URBHKJJZKIAVGS-UHFFFAOYSA-N 389.484 3.672 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)c1cccc(Cl)c1)C(=O)Nc1nc2ccccc2[nH]1 44168568 NEZVYUKOESSSLC-PXAZEXFGSA-N 384.867 4.000 0 40 GHAB CC(=O)c1ccc(NC(=O)Cn2c3ccc(F)cc3c(=O)n2C(C)(C)C)cc1 49007319 DJKMAFHBDKJDDQ-UHFFFAOYSA-N 383.423 3.538 0 40 GHAB COc1ccc(CN[C@@H]2CCCN(C(C)=O)[C@H]2c2ccc(C)s2)c(OC)c1 19217334 BEONTIZWBRNUAB-WIYYLYMNSA-N 388.533 3.916 0 40 GHAB O=C(CSCc1ccc(Cl)s1)NC1CCN(C(=O)c2ccoc2)CC1 31025067 KZWKKSWXCSNJDN-UHFFFAOYSA-N 398.937 3.649 0 40 GHAB O[C@@H](CSc1ccc(F)cc1)CN1CCN(c2cccc(Cl)c2)CC1 20385207 SITKZQWYESEWOA-GOSISDBHSA-N 380.916 3.754 0 40 GHAB CC(C)OC(=O)c1cccnc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 20404808 KHDTVQMLDHTQQB-UHFFFAOYSA-N 393.409 3.992 0 40 GHAB C[C@@H]1CN(CCOc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)C[C@@H](C)O1 20590813 CTPRCYPDKCSGRM-IAGOWNOFSA-N 393.487 3.937 0 40 GHAB CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1ccc(-n2ccnc2)nc1 32802696 IAJWLDKPLWHSKY-UHFFFAOYSA-N 390.274 3.916 0 40 GHAB CCc1ccccc1NC(=O)c1cnn2c1NC(C(=O)O)=C[C@@H]2c1cccs1 102810608 SENZBXYBAXBIOH-MRXNPFEDSA-N 394.456 3.743 0 40 GHAB COc1cc(C)c(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1OC 19202807 POEDPFHYWZZHIP-UHFFFAOYSA-N 390.823 3.602 0 40 GHAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 53517398 BHDYTUKIZMSBEU-OAHLLOKOSA-N 388.471 3.719 0 40 GHAB Nc1nnc(SCC(=O)Nc2cccc3ccccc23)n1-c1ccccc1 624950 KBXRLUNDFWADAG-UHFFFAOYSA-N 375.457 3.734 0 40 GHAB O=C(O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1041558 XSBGREUPZKIBNU-WOJBJXKFSA-N 376.387 3.786 0 40 GHAB CC(C)n1c([C@@H](C)NC(=O)c2ccc(CS(C)(=O)=O)cc2)nc2ccccc21 78821195 MLOPYBLGZYXURD-OAHLLOKOSA-N 399.516 3.653 0 40 GHAB O=C(Oc1ccc(Cl)cc1)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)CC1 4544797 DRFFJAFFOMLLGK-BAMKMPJRSA-N 399.874 3.611 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1 4966046 NTCPKRLYSHSYDQ-UHFFFAOYSA-N 398.507 3.746 0 40 GHAB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OC)c(OC)c3)C2=O)s1 6564834 VCLDJYJBFCTQBI-HFENLWAASA-N 375.475 3.536 0 40 GHAB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3)C2=O)cc1OCC 6942492 RDTZOKLJOBWQRN-GHRIWEEISA-N 394.427 3.541 0 40 GHAB O=C(COC(=O)Cc1ccsc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 7984176 TZQXXIZRBYBZTO-UHFFFAOYSA-N 394.424 3.874 0 40 GHAB CNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1cccc(Cl)c1Cl 23996048 DFCMSFBMTSZHHJ-INIZCTEOSA-N 380.275 3.622 0 40 GHAB O=C1CSc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cc2N1 12573518 WNXGBENFXDSSJB-INIZCTEOSA-N 378.457 3.584 0 40 GHAB O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1ccc(F)cc1 8417099 LFRPMBWZFAWYBP-UHFFFAOYSA-N 392.814 3.770 0 40 GHAB O=C(NCc1ccccc1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 1393415 XVLZXJVCZMWSIL-UHFFFAOYSA-N 389.842 3.969 0 40 GHAB Clc1ccccc1-c1nn2c(COc3ccc4c(c3)OCO4)nnc2s1 20720255 YMSYZFNSRBOELD-UHFFFAOYSA-N 386.820 3.814 0 40 GHAB Cc1cc2nc(NCc3ccccc3CN3CCOCC3)c3ccccc3n2n1 26761828 CAJUIYRIZGWWEO-UHFFFAOYSA-N 387.487 3.635 0 40 GHAB Cc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 3216721 DMHOMRHNIDCJSW-UHFFFAOYSA-N 377.421 3.625 0 40 GHAB CCCOc1ccc(/C=C/C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1 44489946 PLSBMMFXKULVTI-YRNVUSSQSA-N 378.428 3.548 0 40 GHAB O=C(Nc1ccc(NC(=O)c2cnccn2)c(C(F)(F)F)c1)c1ccoc1 44583799 FMQNGUGKQAGWPI-UHFFFAOYSA-N 376.294 3.593 0 40 GHAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O 44840178 IWDBBJRCNVLKPZ-KRWDZBQOSA-N 393.487 3.698 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cc1 58263913 AQXHGPOLUIVTKP-UHFFFAOYSA-N 385.445 3.863 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)cc1OCC 54945742 MDSKKSFXKUTACW-AEFFLSMTSA-N 390.524 3.698 0 40 GHAB O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc2ccccc2[nH]1 58393470 XDBHGNILVGMADB-UHFFFAOYSA-N 376.504 3.500 0 40 GHAB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccco2)n2c1nc1ccccc12 20675602 PXBJXMZWWRNUAJ-OALUTQOASA-N 395.459 3.935 0 40 GHAB CCOC(=O)c1c(N)n(-c2ccccc2OC(F)F)c2nc3ccccc3nc12 2289816 SDLIZBVMXJIAOJ-UHFFFAOYSA-N 398.369 3.934 0 40 GHAB COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(Cl)cc1Cl 2247411 IHXBUPHBLFXUTA-ISVAXAHUSA-N 385.272 3.815 0 40 GHAB COc1ccc(-n2cnc3cc(C(=O)NC4CCCC4)ccc3c2=O)cc1Cl 36358529 DSCBTMRZBPQAFQ-UHFFFAOYSA-N 397.862 3.720 0 40 GHAB COc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc4c(c2)OCO4)S3)cc1 2331392 RTWCQNIOIZDFJI-INIZCTEOSA-N 381.413 3.560 0 40 GHAB COc1ccc(NC(=O)c2cnc3c(cnn3C(C)C)c2)cc1OC(F)F 12746639 LAUDNBJXUZLRRM-UHFFFAOYSA-N 376.363 3.875 0 40 GHAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 2463662 POVNFSCXKCEFDG-GOSISDBHSA-N 388.489 3.687 0 40 GHAB CC(=O)c1c(COC(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc2[n+]1[O-] 2454294 XMXFECUWXRGLLD-UHFFFAOYSA-N 378.428 3.725 0 40 GHAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1Cl 3436791 WXYFGVAUADZOIY-FNORWQNLSA-N 394.210 3.917 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 12998319 ONCBYPNQMBFOGW-CYBMUJFWSA-N 381.501 3.592 0 40 GHAB CSc1ccc(CN(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 13010784 AJYCZNXISSOAAV-UHFFFAOYSA-N 399.541 3.707 0 40 GHAB Cc1ccc(OCCOC(=O)c2ccccc2SCC(=O)NC(C)C)cc1 13056003 LXEKUIQMCHTQJW-UHFFFAOYSA-N 387.501 3.848 0 40 GHAB Clc1ncc(CC(Cc2cnc(Cl)s2)c2ccnc3ncnn23)s1 4060576 XRSWDQOPRHEGGF-UHFFFAOYSA-N 397.316 3.913 0 40 GHAB Cc1cc(C(=O)Nc2cc(CC(C)C)nn2C)c2nc3n(c2n1)CCCCC3 64433935 AIVGHNDDJIORDN-UHFFFAOYSA-N 380.496 3.650 0 40 GHAB CC(=O)Nc1cccc(NC(=O)[C@H](CC(C)C)N2Cc3ccccc3C2=O)c1 13692060 QIGYQQLSFHJJHO-FQEVSTJZSA-N 379.460 3.654 0 40 GHAB Cc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)c(C)c1 20236729 NEXLIVPJGOYQOR-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB COc1ccc(C[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 71405956 HUIITDHBGGLFIT-CYBMUJFWSA-N 381.350 3.986 0 40 GHAB CC(C)NC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O 5274180 XFZZBJJQUYOVSD-UHFFFAOYSA-N 386.879 3.784 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 6336422 QUTUXONSPBPZAG-UHFFFAOYSA-N 381.476 3.701 0 40 GHAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1cnc2ccccn2c1=O 65564357 IBLJQBOBVKFZAN-UHFFFAOYSA-N 379.803 3.538 0 40 GHAB COCCNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O 5345668 OBAUHUJUWWFSEG-UHFFFAOYSA-N 385.460 3.759 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(C(=O)NC2CC2)c1 9377528 ZLXDBFDDCJWFRQ-UHFFFAOYSA-N 382.508 3.619 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc(Br)c[nH]1 14246723 BPLZVKOAFVZRAM-UHFFFAOYSA-N 387.281 3.852 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1csc(-c2ccccc2)n1 14242783 DUWFOCFCZOQZSN-UHFFFAOYSA-N 383.448 3.589 0 40 GHAB CC(=O)Nc1ccc(C(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 5459387 DEEQGTNLPJHYDJ-FQEVSTJZSA-N 380.444 3.556 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)c1c(C)[nH]c2ccccc12 6539301 KFWYUEOOUKOQMH-UHFFFAOYSA-N 389.411 3.710 0 40 GHAB COc1ccc(OCCOC(=O)c2ccc(OCc3cscn3)cc2)cc1 6589155 KUGIMKSLYKYQHM-UHFFFAOYSA-N 385.441 3.967 0 40 GHAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 6510719 QKKFESMOSRUFDH-QHCPKHFHSA-N 387.439 3.554 0 40 GHAB Cc1cnc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cn1 14367061 IPGOWWOVASTRII-UHFFFAOYSA-N 390.321 3.901 0 40 GHAB CC(=O)Nc1ccc2c(CSc3nnc(-c4cccs4)[nH]3)cc(=O)oc2c1 6945437 PUICUPHCXDKDAQ-UHFFFAOYSA-N 398.469 3.890 0 40 GHAB COc1ccc(Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1 67258126 OIURPYFDWZEWMU-UHFFFAOYSA-N 378.453 3.579 0 40 GHAB O=C(Nc1ccc(SC(F)F)cc1)c1ccc2c(=O)n3c(nc2c1)CCC3 7779881 ZVBWVJLHUWLTNP-UHFFFAOYSA-N 387.411 3.910 0 40 GHAB CC(C)NC(=O)[C@@H](C)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 68860309 NQJMHSQRIDRBEZ-MRXNPFEDSA-N 380.492 3.602 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c(OC)c1 16635313 MFVDIZZKEHTVCP-MRXNPFEDSA-N 390.439 3.849 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N2CCC(C)CC2)cc1 409334290 WPJFOOBXTXKTJT-UHFFFAOYSA-N 386.517 3.692 0 40 GHAB Cc1ccc(/C=C/C(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)cc1 16742347 XBQGXWJZIFNTGJ-DVBCCOPCSA-N 389.542 3.594 0 40 GHAB O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 8202508 FZNTZEMWSKHLEO-UHFFFAOYSA-N 376.453 3.689 0 40 GHAB Cc1c(C(=O)N2CCN(CCOc3ccccc3)CC2)oc2ccc(F)cc12 18121560 VCPQNGBXTIEVJD-UHFFFAOYSA-N 382.435 3.717 0 40 GHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1c(C)noc1C 84025558 KMCDXBOIKZGCSX-UHFFFAOYSA-N 380.326 3.757 0 40 GHAB C[C@H](Oc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)C(=O)c1ccccc1 18241143 CIKRJDHEULFVTN-YSSFQJQWSA-N 375.424 3.792 0 40 GHAB C[C@@H](CCc1ccc(Br)cc1)NC(=O)CCN(C)c1ccncc1 95468170 DRYLMCSGWGHELQ-HNNXBMFYSA-N 390.325 3.808 0 40 GHAB COc1ccc(-c2[nH]nc(C)c2CC(=O)N2CCO[C@H](c3ccccc3)C2)cc1 95472192 NOMMDGZPGTXWIF-NRFANRHFSA-N 391.471 3.536 0 40 GHAB CC(C)CNC(=O)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306141009 VISYALVXNFEQSO-LJQANCHMSA-N 390.487 3.697 0 40 GHAB O=C(CSc1ccc2nnc(C(F)(F)F)n2n1)Nc1ccc(Cl)cc1 61720113 LUMMRCZPRRLCKJ-UHFFFAOYSA-N 387.774 3.527 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nc2cc(C)n(CC)c2c(=O)n1[C@H](C)CC 67299788 OBBNFSDMXJSXFG-CHWSQXEVSA-N 378.542 3.504 0 40 GHAB COc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc(Cl)c1O 408801904 WRADLMXSSBNECN-UHFFFAOYSA-N 379.820 3.956 0 40 GHAB CC(C)(C)NC(=O)c1nc([C@H]2CCCN2Cc2ccccn2)n2ccccc12 306138059 RNYSLLLJBDSVCK-GOSISDBHSA-N 377.492 3.595 0 40 GHAB Cc1cccc(CN2CCN(Cc3cc(=O)n4c5c(cccc35)CCC4)CC2)c1 63857474 XFKHKEHBXCQLLZ-UHFFFAOYSA-N 387.527 3.574 0 40 GHAB Cn1cc(-c2nnc(SCc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cn1 32604366 NCAGYBZHBJJWLW-INIZCTEOSA-N 389.912 3.803 0 40 GHAB O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1 34230641 NNZNQXUIQQZLGA-UHFFFAOYSA-N 399.485 3.526 0 40 GHAB Cc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3nc(C)sc32)c1 32616557 KSXNNOXTVGGHFA-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB COc1cc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc(OC)c1 35289357 ZWKGLVSISXTUMG-LJQANCHMSA-N 383.448 3.647 0 40 GHAB Cc1cc(C(=O)Nc2ccc(Br)cc2Cl)c2cnn(C)c2n1 36616377 HWHGHJQLFXPTMS-UHFFFAOYSA-N 379.645 3.945 0 40 GHAB Cn1ccnc1[C@@H]1C[C@H](NC(=O)Nc2ccnc(-c3ccccc3)c2)CCO1 562596484 QSWRYWBZZDXPKO-MJGOQNOKSA-N 377.448 3.524 0 40 GHAB COc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 70932589 XSWUXXYJFGZQRL-UHFFFAOYSA-N 390.842 3.979 0 40 GHAB COC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 44839947 RYJNXHIRIQYMFL-HNNXBMFYSA-N 389.517 3.951 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 225245148 GLEVMXPZGSUDLD-HOTGVXAUSA-N 388.458 3.839 0 40 GHAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 222758597 UPEVTHWZVBJMRC-ROUUACIJSA-N 379.441 3.642 0 40 GHAB Cc1cccc(C)c1OCC(=O)Nc1nn2c(C3CCCCC3)nnc2s1 41108813 TWHXPBJQBKPIBI-UHFFFAOYSA-N 385.493 3.868 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc3c(cc2Cl)OCCO3)cc1 41126515 OBFARZQWZRXXGW-UHFFFAOYSA-N 388.851 3.846 0 40 GHAB CCOC(=O)C1(c2ccc(NC(=O)CCc3c(OC)cccc3OC)cc2)CC1 225993355 YBMLGDQAYXBMEP-UHFFFAOYSA-N 397.471 3.870 0 40 GHAB CCOC(=O)c1cc(N(CC)S(=O)(=O)c2ccc(F)cc2)ccc1Cl 224924266 LAMXVXKAAZOPMQ-UHFFFAOYSA-N 385.844 3.871 0 40 GHAB COc1cccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 224178208 DKZMVFDONUCQSZ-UHFFFAOYSA-N 390.288 3.500 0 40 GHAB C[C@H](C(=O)Nc1cccc2ccccc12)N(c1ccccc1F)S(C)(=O)=O 220294951 YANRCUSIYGVREO-CQSZACIVSA-N 386.448 3.772 0 40 GHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 223282916 PBVQOIQIKOCRSG-RTWAWAEBSA-N 392.528 3.876 0 40 GHAB COc1ccccc1OCCc1nnc(NC(=S)Nc2ccccc2)s1 95116460 QSQXCCSPOWKNCF-UHFFFAOYSA-N 386.502 3.977 0 40 GHAB O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H](Cc1ccccc1)CC1CCCCC1 584906637 FKFKBEPDWGREFK-WOJBJXKFSA-N 377.550 3.509 0 40 GHAB CC(=O)N1c2ccc(S(=O)(=O)N(C)c3ccccc3C(C)C)cc2C[C@H]1C 585083512 YZKTYBYZJNFHDI-OAHLLOKOSA-N 386.517 3.933 0 40 GHAB Cc1ccc(C(=O)N2CCO[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)cn1 257271171 MXDMAINSUGKDRQ-IBGZPJMESA-N 397.862 3.836 0 40 GHAB COC(=O)c1cc(NC(=S)NCCCN2CCC[C@H](C)C2)ccc1Cl 260742728 YIARAPCHLMYEFN-ZDUSSCGKSA-N 383.945 3.535 0 40 GHAB Cc1cccc2nc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)cn12 26423776 DQRPQTXIRXJISV-LBPRGKRZSA-N 391.349 3.846 0 40 GHAB Cc1ccncc1CC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 614215020 OXYYOAJMFKHRJK-SFHVURJKSA-N 388.309 3.798 0 40 GHAB Cc1ccc(F)c(N=c2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1 620945687 XSLAPXNQJHTWSK-UHFFFAOYSA-N 377.466 3.795 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1c(Cl)cccc1Cl 32929781 AZSYEEKPVHNFST-VXGBXAGGSA-N 378.321 3.698 0 40 GHAB O=C(CCc1ccccc1F)N1CC[C@H](Oc2ccncc2Br)C1 1776001923 SQKSBCIIHJWGQF-AWEZNQCLSA-N 393.256 3.596 0 40 GHAB O=C(Nc1nccs1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 57034790 OOWVOJAIIJQKCT-INIZCTEOSA-N 379.445 3.831 0 40 GHAB CC(C)c1ccc(OCC(=O)N2CCC[C@H](c3nnc(C(F)(F)F)o3)C2)cc1 77197797 ARQSCRLHAMQZJJ-AWEZNQCLSA-N 397.397 3.997 0 40 GHAB CCOc1ccc(CCNC(=O)COC(=O)c2ccc(CC)cc2)cc1OCC 5691972 SZMPXBBFRVDWKI-UHFFFAOYSA-N 399.487 3.562 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@@H](c1ccco1)N1CCCC1 9544924 IXJSZEHFEOZJGL-FQEVSTJZSA-N 392.503 3.708 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)c1ccccc1 13647932 MQSKHHBSMYXGKP-UHFFFAOYSA-N 386.517 3.836 0 40 GHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 14000370 OYIPVKNMYISFPB-FXAWDEMLSA-N 396.487 3.700 0 40 GHAB CCc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2OC)cc1 14291319 INEIRDVXNMLVNI-UHFFFAOYSA-N 393.472 3.985 0 40 GHAB COc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3C)o2)c1 17227244 VUPLPDPTASABKP-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)C2CCC2)C1 19374254 SHQXTQQSBZQRHL-DEOSSOPVSA-N 376.500 3.790 0 40 GHAB COc1ccccc1-c1ccc(C[C@@]2(C(=O)NC(C)C)CCN(C(C)=O)C2)cc1 19448987 OLWNGKOAWZFPKS-DEOSSOPVSA-N 394.515 3.668 0 40 GHAB O=C(c1ccc2c(c1)ncn2C1CC1)N(Cc1ccccn1)C[C@H]1CCCO1 19663088 QTPSZWWKTGUJCD-LJQANCHMSA-N 376.460 3.588 0 40 GHAB COc1cccc(-c2cc(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)on2)c1 19666848 RDMCQHNJHCZEOM-UHFFFAOYSA-N 390.399 3.672 0 40 GHAB C/C(C=NNC(=O)c1nc2nc(C)cc(C)n2n1)=C/c1ccc(C(C)C)cc1 6189313 KTVXUBOEJXGOAZ-UHXXLRDVSA-N 376.464 3.684 0 40 GHAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 7495225 FSJZVJQHSRNVHM-SFQUDFHCSA-N 383.835 3.535 0 40 GHAB COc1cccc(C2(NC(=O)CCN3Cc4ccccc4C3=O)CCCC2)c1 12197497 WSACYZHYMHCPBK-UHFFFAOYSA-N 378.472 3.627 0 40 GHAB O=C(c1cccc(F)c1)N1CCCc2cc([C@@H](O)CN3CCCCC3)ccc21 12291542 ZZSQRJCAADJWCR-QFIPXVFZSA-N 382.479 3.938 0 40 GHAB O=C(Nc1ccc2c(c1)OCCCO2)c1nn(-c2ccc(F)cc2)c2c1CCC2 10936382 PZWCXMRMRQGNHX-UHFFFAOYSA-N 393.418 3.914 0 40 GHAB CCOC(=O)C1=C(CSC2CCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 21978960 UOGYMAFQHGYBQW-SFHVURJKSA-N 390.505 3.542 0 40 GHAB CCc1cccc(OCC(=O)Nc2ccccc2I)c1 3492406 IEBLRAQFPQPIPH-UHFFFAOYSA-N 381.213 3.871 0 40 GHAB Cc1cc(CN2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)on1 2087097724 SBENOPNPYXSXNO-UHFFFAOYSA-N 386.459 3.763 0 40 GHAB CCOC(=O)CSc1nc(NCc2ccc(OC)cc2)c2ccccc2n1 2948807 YRGSZPBWWSYVCP-UHFFFAOYSA-N 383.473 3.906 0 40 GHAB O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2)c1cccs1 11613133 OLEXHTQILBMDKO-UHFFFAOYSA-N 398.509 3.747 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)s1 1775965723 CFDVOUMRQGOKMC-UHFFFAOYSA-N 388.537 3.779 0 40 GHAB Cc1ccc(CN2C(=O)N(c3cccc(F)c3)c3ncccc3S2(=O)=O)cc1 49420957 LQWKMKWEJOHILK-UHFFFAOYSA-N 397.431 3.992 0 40 GHAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)c1cc(=O)c2ccccc2o1 253395928 CTFVISJCDUCRPD-HXUWFJFHSA-N 397.477 3.582 0 40 GHAB O=C(Oc1ccccc1)N(CCO)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 1671914 SZCAVXACQFEDQN-FCHUYYIVSA-N 377.440 3.955 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 19211413 RECGWRHBPKKGOB-AWEZNQCLSA-N 389.502 3.675 0 40 GHAB COCCCOc1ccc2nc(NC(=O)C(C)(C)Br)sc2c1 20133245 OBPLESSMWMHAJI-UHFFFAOYSA-N 387.299 3.824 0 40 GHAB Cc1ccc(C)c(NC(=S)N[C@H](C)[C@H](c2ccccc2)N2CCN(C)CC2)c1 22928351 RGRSRLIVBRRLKQ-DENIHFKCSA-N 396.604 3.967 0 40 GHAB O=C(CCc1ccco1)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 30451236 SRCWTJNENFTXOJ-UHFFFAOYSA-N 396.374 3.971 0 40 GHAB Cc1nnc(NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)s1 40129300 BJYZKSSCQFRUND-UHFFFAOYSA-N 375.885 3.792 0 40 GHAB Cc1nc(-c2ccncc2)sc1C(=O)NC1CCN(Cc2ccccc2)CC1 31868093 JUOCBQPNWXDTBV-UHFFFAOYSA-N 392.528 3.908 0 40 GHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2cc(Cl)ccc2F)nn1 32093463 PSTVATXFPCBEIA-GFCCVEGCSA-N 387.802 3.895 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Sc2nnc3sc4ccccc4n23)cc1 20882502 FVYQRSXMLXXHMS-LBPRGKRZSA-N 398.513 3.750 0 40 GHAB C[C@H](NC(=O)COc1ccc(NC(=O)c2ccco2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102280339 RRRPKXRIEOGBQQ-IUVQAAGXSA-N 382.460 3.852 0 40 GHAB CC(C)n1ncc2cc(C(=O)O[C@H](C)C(=O)NCCC3=CCCCC3)cnc21 32866016 APDFBZADMUEJJN-OAHLLOKOSA-N 384.480 3.564 0 40 GHAB COc1ccc([C@@H](NC(=O)NCCc2cccc(Cl)c2)c2nccn2C)cc1 32802575 FZXMECHPXWJKEN-LJQANCHMSA-N 398.894 3.713 0 40 GHAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccnc(-n2ccnc2C)c1 32931769 MAIPLGCUCUBORD-UHFFFAOYSA-N 383.455 3.876 0 40 GHAB Cc1ccc(CN(C)C(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)o1 32930854 GEVPHWZUOYUHLM-CQSZACIVSA-N 381.398 3.877 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 22318896 XYFGTJNMWNAHPG-OAQYLSRUSA-N 393.531 3.736 0 40 GHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 851709 BZRZHJTWOJYCSI-ZDUSSCGKSA-N 392.238 3.772 0 40 GHAB Cn1c(SCC(=O)Nc2nccs2)nnc1-c1cc2ccccc2cc1O 896727 MSCMYNIEXAOSKO-UHFFFAOYSA-N 397.485 3.528 0 40 GHAB O=C1CS(=O)(=O)[C@@H](c2ccc(Oc3ccccc3)cc2)N1c1ccccc1 1088752 LMMBPQKVWKAIGA-NRFANRHFSA-N 379.437 3.939 0 40 GHAB Cc1nc(Nc2cccc([C@H](C)O)c2)c2nnn(Cc3ccccc3F)c2n1 1351268 WTSHBLKPVMMQKX-LBPRGKRZSA-N 378.411 3.514 0 40 GHAB COc1ccc(C2(C(=O)NCCc3ccc(OC)c(OC)c3)CCCC2)cc1 1424468 BMRAFBCCVSKYNQ-UHFFFAOYSA-N 383.488 3.883 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2N)cc1 2387705 SVYDNTMMAKLSII-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB Cc1cc(C)n2c(SCC(=O)c3ccc(Br)s3)nnc2n1 2649615 KOMZKVSDJPUPST-UHFFFAOYSA-N 383.296 3.540 0 40 GHAB COc1cc(/C=C/C(=O)OCCOc2ccc(Br)cc2)ccc1O 3294545 CGLHJPDTACODHU-YCRREMRBSA-N 393.233 3.799 0 40 GHAB COc1ccc(C)cc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 3303725 GVRPBPFRWVRGSJ-UHFFFAOYSA-N 380.444 3.990 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1 3350209 BEYCTVNBCWWHKF-UHFFFAOYSA-N 380.469 3.758 0 40 GHAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1C 3474548 BAWHFELECQYKTC-UHFFFAOYSA-N 383.835 3.950 0 40 GHAB Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)N2CCC(C)CC2)c1 3488830 IRUASVADQTYQOV-UHFFFAOYSA-N 394.471 3.663 0 40 GHAB CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(O)c(OC)c1 4643441 VVTMRLMYQHJQOY-NRFANRHFSA-N 393.443 3.842 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)ccc1Br 4702892 RSAIIJROHJZHRV-UHFFFAOYSA-N 378.222 3.546 0 40 GHAB COc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCC(C)CC2)cc1 4847680 OQZPATWJWGFKTJ-JOCHJYFZSA-N 391.519 3.746 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4892512 KKKMUOBIVZUJMB-SXYIGIQMSA-N 397.519 3.777 0 40 GHAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccccc2C)c2ccccc21 5086975 ULSPZXARJDBMPC-UHFFFAOYSA-N 391.471 3.640 0 40 GHAB COC(=O)c1ccc(OC)cc1OCCOc1cccc(Br)c1 5473597 PHIYCIQOZRCFJF-UHFFFAOYSA-N 381.222 3.702 0 40 GHAB CC[C@H](C)c1ccc(NS(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1 5602729 VPYXJMJSWPBYBL-ZDUSSCGKSA-N 376.478 3.968 0 40 GHAB C[C@H]1CCN(C(=O)COC(=O)c2ccc(Cl)c(N)c2)c2ccccc2S1 5655912 GYAUFJILJRXGJV-LBPRGKRZSA-N 390.892 3.997 0 40 GHAB O=C(c1ccccc1)N1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 6787647 XDWOLIKSRWARLK-UHFFFAOYSA-N 393.434 3.860 0 40 GHAB Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1-c1ccccc1 7097830 JUAXDVNYRBRFMA-UHFFFAOYSA-N 394.287 3.887 0 40 GHAB COc1ccc(-c2noc(COC(=O)C3(c4ccccc4)CC3)n2)c(OC)c1 7113811 YJLMZGADOWHVES-UHFFFAOYSA-N 380.400 3.529 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1 7124029 VORXQAYUVLCJID-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc(CN2CCCC2)cc1 7551370 LCUZFBDJYIZNKZ-UHFFFAOYSA-N 397.548 3.817 0 40 GHAB COc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)cc1 8112413 AEINFLFAKBUXQH-UHFFFAOYSA-N 382.441 3.771 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(C(=O)OC)ccc1Cl 8497763 BVWKWMYLDJUUOM-HNNXBMFYSA-N 377.824 3.931 0 40 GHAB CCCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 9239042 DTJSPWVWNGEAQG-ZWKOTPCHSA-N 393.516 3.621 0 40 GHAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccccn1 9344458 GYMXKFUFOSAHPS-UHFFFAOYSA-N 388.379 3.578 0 40 GHAB biogenic Cc1[nH]c2ccccc2c1C1=NN=C(NCc2ccc3c(c2)OCO3)SC1 9386446 XIZGOHVJXZRFLC-UHFFFAOYSA-N 378.457 3.802 0 40 GHAB CCn1c(COc2ccccc2)nnc1SCC(=O)NCc1ccc(C)cc1 9542025 QYXFCZCDFMEMPE-UHFFFAOYSA-N 396.516 3.594 0 40 GHAB CN(C)C(=O)[C@@H](OC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 11493833 OMILKGGDMQRSSG-SFHVURJKSA-N 383.835 3.716 0 40 GHAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(Cn2cncn2)cc1 11547182 RGLJTIVTABGDBF-UHFFFAOYSA-N 394.438 3.918 0 40 GHAB Cc1cc(C(C)(C)C)oc1C(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2 12145755 UUVQMERLIWTWLY-UHFFFAOYSA-N 381.476 3.673 0 40 GHAB O=C(Cc1ccc(Cl)cc1Cl)N1CCC(c2n[nH]c3nccnc23)CC1 12228413 FAVLRUSCVRDBNS-UHFFFAOYSA-N 390.274 3.608 0 40 GHAB Cc1ccc(C)c(N2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)c1 12414896 UKSORNRHTWNAFB-HNNXBMFYSA-N 377.400 3.603 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)Nc2cccc3c2CCCC3)cc1 12562200 UVBAIRULBJDCAG-KRWDZBQOSA-N 379.504 3.771 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1N1CCCC1=O 12569097 QQXXERBRTGBMEA-UHFFFAOYSA-N 381.863 3.921 0 40 GHAB CCOC(=O)c1cc(C)n(CC(=O)NCc2ccc(C(F)(F)F)cc2)c1C 12624245 XIZHHVHHAMWQBN-UHFFFAOYSA-N 382.382 3.617 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(s1)CCCCCC2 12781677 QPINCWJHRONKQW-UHFFFAOYSA-N 381.501 3.916 0 40 GHAB Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2)sc2nc3n(c(=O)c12)CCC3 12785194 XXGSPSCYOKXMBO-UHFFFAOYSA-N 387.892 3.638 0 40 GHAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCN(c2ccccn2)CC1 12866751 IDCQAOPXKSDGDT-RRZZWSPOSA-N 395.547 3.662 0 40 GHAB biogenic Cc1ccc([C@H](NCC(=O)N2c3ccccc3NC(=O)C2(C)C)C2CC2)cc1 12937110 XJTLVNAMTPLJPL-NRFANRHFSA-N 377.488 3.800 0 40 GHAB Cc1cc(C)c(Nc2nnc(SCCN3C(=O)CCC3=O)s2)c(Cl)c1 12951972 ZQLDZNYLTLDVEF-UHFFFAOYSA-N 396.925 3.793 0 40 GHAB COc1ccccc1/C=c1\sc2nnc(-c3ccc(C(C)(C)C)cc3)n2c1=O 13547440 LBGQZFQARXNJJD-AQTBWJFISA-N 391.496 3.672 0 40 GHAB COc1cc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OC 13639086 NSLPSMXUPSQZDW-YBEGLDIGSA-N 387.413 3.659 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)C2)ccc1C 13675225 YBTWLTCXJVYJNA-OAHLLOKOSA-N 386.517 3.976 0 40 GHAB CC[C@@H](C(=O)NCc1ccc(C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714358 PVWSPZJAWUXZIA-SFHVURJKSA-N 394.924 3.509 0 40 GHAB COc1cc(CCC2CCN(S(=O)(=O)c3cccs3)CC2)cc(OC)c1 14100977 OYIVTYJEVWMLHB-UHFFFAOYSA-N 395.546 3.799 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccccc3C)sc2c1 16362587 RFLIKVHZWCZWAR-UHFFFAOYSA-N 384.486 3.690 0 40 GHAB COC(=O)c1cc(C)sc1NC(=S)N[C@H](C)c1ccc2c(c1)OCO2 17077408 FFHMSDIUSLCKSN-SNVBAGLBSA-N 378.475 3.619 0 40 GHAB CCOc1cccc(N2C(=O)C[C@H](N3CCC(c4ccc(F)cc4)CC3)C2=O)c1 18220160 DEUWTVBUUPGHMM-NRFANRHFSA-N 396.462 3.736 0 40 GHAB COc1cc(C)ccc1OCC(=O)N1CCC(c2cc3cnccc3[nH]2)CC1 19134198 DVHUYMPFSRLVMX-UHFFFAOYSA-N 379.460 3.665 0 40 GHAB CC(C)c1cc(C(=O)N2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)[nH]n1 19451809 VZCWQBDWAWFQDB-ZDUSSCGKSA-N 388.855 3.572 0 40 GHAB C[C@@H](Cn1cc(Cl)cn1)C(=O)N1CCC[C@H](COc2ccccc2F)C1 19457297 PQDAQLJBQZJWTC-GJZGRUSLSA-N 379.863 3.629 0 40 GHAB C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1cc2cc(Cl)ccc2o1 19458496 IQFORJMMGXWITE-HIFRSBDPSA-N 397.862 3.707 0 40 GHAB CCc1ccccc1Nc1noc2c1CN(C(=O)CCc1c(C)n[nH]c1C)CC2 19523055 MYMZOBUINSGZOG-UHFFFAOYSA-N 393.491 3.838 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CN(C)Cc3ccc(C(C)C)cc3)ccc21 19534185 KHDNBKJGWUMXLV-UHFFFAOYSA-N 379.504 3.790 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(Cn3cccn3)c2)cc1OC 19560286 SKKJUDGJHIPDEI-FQEVSTJZSA-N 391.471 3.926 0 40 GHAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(Cc4cnn(C)c4)C3)noc2n1 19568955 LXEPWOWPXYSRGN-CYBMUJFWSA-N 379.386 3.663 0 40 GHAB CCOc1ccc2c(c1)c(C(=O)N1CC[C@@](O)(c3ccc(C)cc3)C1)c(C)n2C 19661910 UVKNWDVMCDAIKF-DEOSSOPVSA-N 392.499 3.928 0 40 GHAB Cc1ccc(-c2cc(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)[nH]n2)cc1 19666438 VHACKICCRRJETP-LJQANCHMSA-N 376.460 3.602 0 40 GHAB Cc1c(-c2nsc(NC(=O)c3ccco3)n2)nnn1-c1ccc(Cl)cc1 20848750 BTNIRZRYHRNEAM-UHFFFAOYSA-N 386.824 3.593 0 40 GHAB O=C(c1ccc(Cn2cccn2)cc1)N1CCN(Cc2cccc(Cl)c2)CC1 21381876 HCBINJBERIEEJV-UHFFFAOYSA-N 394.906 3.543 0 40 GHAB O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CC1 22241020 KYYRINIVQYRPIS-DOTOQJQBSA-N 390.474 3.856 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1 22779342 AYRPBYRLXJYZKP-HNNXBMFYSA-N 375.875 3.624 0 40 GHAB COc1ccc(Nc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1 23907836 RZNVYDPLBHPCRO-UHFFFAOYSA-N 384.505 3.893 0 40 GHAB O=C(CN1CCOCC1)Nc1cccc(-c2nc(-c3cccs3)cs2)c1 24045328 RNODWXWZIGSIAO-UHFFFAOYSA-N 385.514 3.809 0 40 GHAB CCOC(=O)C1=C(CNc2ccccc2Cl)NC(=O)N[C@@H]1c1cccs1 24978736 HSSNDSOBIMHCHE-MRXNPFEDSA-N 391.880 3.685 0 40 GHAB COC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)c(C)c1 24982472 RLOSQDKVHDSULM-UHFFFAOYSA-N 379.416 3.711 0 40 GHAB CSc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)N1CCCC1 26114932 BGTUZVQCZFFKKH-UHFFFAOYSA-N 396.578 3.646 0 40 GHAB CC[C@@H]1CN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CCO1 29153811 CMYYTSCHIAAPTF-MRXNPFEDSA-N 387.480 3.845 0 40 GHAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(CN2CCCCC2)cc1 32828799 RWUOMAATFFCGTC-QGZVFWFLSA-N 396.487 3.865 0 40 GHAB COc1ccc(-n2nnc(-c3nc(-c4cccc(OC)c4)cs3)c2N)cc1 33265144 JTRGWAASTJSIOF-UHFFFAOYSA-N 379.445 3.657 0 40 GHAB Cc1ccc(Cl)cc1N(CC(=O)NC1CCCCC1)C(=O)c1csnn1 35313964 ZKXAPYNJQUMVPY-UHFFFAOYSA-N 392.912 3.596 0 40 GHAB O=C(CSc1ncnc2nc[nH]c12)c1cccc([C@@H]2CC2(Cl)Cl)c1 35670601 YROFXORRRUEAGE-NSHDSACASA-N 379.272 3.989 0 40 GHAB COc1ccccc1-c1cnn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1F 35685257 OXSRPKXDDKWRGR-INIZCTEOSA-N 380.379 3.869 0 40 GHAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)c2cccc(C[S@](C)=O)c2)C1 36392075 RJAFZNCCZCFMOB-XDBZFTIUSA-N 398.572 3.727 0 40 GHAB CCc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)cc1 36701613 DYFGUPRXBAQEST-GKCIPKSASA-N 391.475 3.507 0 40 GHAB COc1cc(NS(=O)(=O)c2cccs2)ccc1NC(=O)OC(C)(C)C 40122756 ZVOIKXLJEYDJOC-UHFFFAOYSA-N 384.479 3.905 0 40 GHAB Cc1ccc(-n2cc(C(=O)OCC(=O)OC(C)(C)C)c3ccccc3c2=O)cc1 44167236 AQEINNAGMNDEPX-UHFFFAOYSA-N 393.439 3.798 0 40 GHAB CCN(c1ccc2sc(C(=O)NC)cc2c1)S(=O)(=O)c1ccc(C)cc1 46059031 BTSPQPMYILLAMS-UHFFFAOYSA-N 388.514 3.785 0 40 GHAB COC(=O)c1ccc(-c2csc(NC(=O)c3cc(C)n(C(C)C)n3)n2)cc1 49342715 RSLWSVGIYOFECY-UHFFFAOYSA-N 384.461 3.935 0 40 GHAB Cc1cc(-n2nnc(C(=O)NCc3ccccc3)c2C)ccc1Br 51317878 RMMGFHRCGRIFMF-UHFFFAOYSA-N 385.265 3.577 0 40 GHAB O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O 53121634 CWQXHQSYAFHTSV-WMLDXEAASA-N 388.439 3.671 0 40 GHAB C[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)C(=O)NCc1ccc2c(c1)OCO2 57380603 AQCCQJBELZPLRW-HZPDHXFCSA-N 380.488 3.650 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1cc2ccccc2o1 61586089 BBXXNTZKMRBREJ-UHFFFAOYSA-N 384.741 3.583 0 40 GHAB Cc1ccc([C@@H](CNC(=O)Nc2ccccc2Cn2cccn2)N(C)C)cc1 62582024 GPHYLSNWCWNXME-OAQYLSRUSA-N 377.492 3.664 0 40 GHAB COc1cc(/C=C/C(=O)NCCO)ccc1OCc1ccc(C(C)(C)C)cc1 62715782 HFIOAJATJRUDIU-XYOKQWHBSA-N 383.488 3.693 0 40 GHAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 65740141 POGOBYKMRXLZSP-CYBMUJFWSA-N 392.484 3.543 0 40 GHAB CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(C(=O)CCC(=O)O)cc1 72313013 XDRNKFXLDDAMOJ-UHFFFAOYSA-N 397.452 3.712 0 40 GHAB CC(=O)N1CCC(N2CC[C@@H](c3nc(C)cc(Oc4ccc(F)cc4)n3)C2)CC1 72384359 YQIXQYHVARTHAI-QGZVFWFLSA-N 398.482 3.517 0 40 GHAB O=C1NCCCC[C@H]1NCc1ccc(OCc2c(F)cccc2Cl)cc1 84339057 OIGNJEHSJNJIDN-LJQANCHMSA-N 376.859 3.816 0 40 GHAB COc1cccc(NC(=O)NCCCn2ccnc2-c2ccccc2)c1OC 90583518 IRHZDCJUHJUXCC-UHFFFAOYSA-N 380.448 3.779 0 40 GHAB CC(C)[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)N1CCc2sccc2C1 95348962 IETLRCCIZJLBKA-QGZVFWFLSA-N 392.908 3.750 0 40 GHAB CN1C(=O)C[C@H](N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccc2Cl)C1=O 95618989 GPVFEZXCNNOIKT-RXVVDRJESA-N 393.874 3.526 0 40 GHAB COC(=O)CCSc1ncccc1NS(=O)(=O)c1cccc(C(C)C)c1 96013529 JQINZXBBRPDERB-UHFFFAOYSA-N 394.518 3.661 0 40 GHAB CSc1ccc([C@H](O)CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 96103215 XUELQMWPAWMCMF-GOSISDBHSA-N 379.547 3.718 0 40 GHAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nc2c(s1)CCCCC2 96118382 DDRYBYZDJFFQOB-UHFFFAOYSA-N 382.489 3.964 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100402592 WSGPHFMFXHCQGE-JXXFODFXSA-N 384.501 3.714 0 40 GHAB COc1ccc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1OC 100423433 UNURLJSWFGWHOU-PMACEKPBSA-N 380.488 3.629 0 40 GHAB CC(C)(C)C1=C[C@]2(C(C)(C)C)[C@H]3C=C[C@@H]3[C@@H]1n1c(=O)n(-c3ccccc3)c(=O)n12 104293657 NTWZKDXZDZYCLR-QPBWXXGLSA-N 391.515 3.885 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(C(F)(F)F)c1 107124886 CYVGUWJBZSHFOQ-UHFFFAOYSA-N 379.787 3.846 0 40 GHAB CC[C@@H](NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O)c1ccccc1 113966152 FEAVHYQUXAITMU-GOSISDBHSA-N 392.496 3.639 0 40 GHAB O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(F)cc1Cl 206785890 XVUWLVGFBKZPJS-LBPRGKRZSA-N 387.764 3.902 0 40 GHAB CC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)O 217608117 QFXSCLODYHITTI-ZIAGYGMSSA-N 376.478 3.635 0 40 GHAB Cc1cc(C)c(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c(C)c1 222495844 YQQQICOWOGPJML-UHFFFAOYSA-N 380.897 3.913 0 40 GHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccncc2)S1 222601984 UAQUQCMOTDNAQC-XPGWFJOJSA-N 375.501 3.916 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 223105318 UWURJBVRSYNMCT-LJQANCHMSA-N 390.886 3.883 0 40 GHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223870755 QNGGAXBRFAFGPG-QFBILLFUSA-N 389.517 3.742 0 40 GHAB Cc1cccc(OCCNC(=O)COc2cc(C)c(Br)c(C)c2)c1 224243622 HKHSGVUYXUEPOH-UHFFFAOYSA-N 392.293 3.948 0 40 GHAB CCN(Cc1ccccc1)C(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 224402043 BQSPFHKLASXKOR-UHFFFAOYSA-N 386.517 3.587 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 224739412 HEJXWQMRYSMWTC-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 225691362 FSLUGSRRZUAGBR-KRWDZBQOSA-N 386.923 3.867 0 40 GHAB C[C@@H]1CCCN(CCCNC(=S)Nc2ccc(Br)cc2F)C1 225736932 XTDOFVAPHSREEF-GFCCVEGCSA-N 388.350 3.997 0 40 GHAB CC1CCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NC3CC3)n2)CC1 226003528 CFEWHBCLCONZTC-HNNXBMFYSA-N 388.585 3.541 0 40 GHAB COc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NC2CCCCCC2)n1 226009650 ICKTZIHJRVZDFZ-AWEZNQCLSA-N 377.558 3.873 0 40 GHAB O=C(c1cc(-c2cccs2)n[nH]1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 253471691 DYGNCFQGJMYOTI-LSDHHAIUSA-N 391.456 3.545 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccccc2OC)[C@@H]1c1ccccc1 257265015 LWXQXBDXNXHBQH-KNQAVFIVSA-N 380.488 3.653 0 40 GHAB CC(C)n1cnc2cc(C(=O)N(CC(=O)O)Cc3ccccc3Cl)ccc21 257304548 SMDSEHZHLSKAKY-UHFFFAOYSA-N 385.851 3.998 0 40 GHAB CC(=O)N1[C@@H]2CN(C(=O)c3cc4ccc(C)cc4[nH]3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257319626 VTIQSEPELYVTNE-XKPYVIEYSA-N 379.504 3.870 0 40 GHAB O=C(CSc1n[nH]c(-c2ccccn2)n1)c1ccc(Br)cc1 408581574 IZGZEPKBCKBULT-UHFFFAOYSA-N 375.251 3.604 0 40 GHAB CCc1ccccc1NC(=S)NC(=O)c1c(F)c(F)c(OC)c(F)c1F 408624838 CKWVVCANJMVPED-UHFFFAOYSA-N 386.370 3.941 0 40 GHAB C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCCC1 408736307 AIUOODAILIWIOW-LPHOPBHVSA-N 390.524 3.934 0 40 GHAB C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCCC1 408736308 AIUOODAILIWIOW-QFBILLFUSA-N 390.524 3.934 0 40 GHAB CCc1ccc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1 409026521 RIEYMIOJHRLISF-UHFFFAOYSA-N 382.485 3.807 0 40 GHAB O=C1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N2NC=NC2=N1 409376219 WBFXHCNWBBDFJD-MRXNPFEDSA-N 389.242 3.748 0 40 GHAB CC(C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 409412624 YRMCROHAWOZEQS-UHFFFAOYSA-N 380.897 3.917 0 40 GHAB Cc1ccc(CNC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)c2ccccc12 515001488 WUUWEUMDHCYWQH-LJQANCHMSA-N 394.475 3.938 0 40 GHAB COc1ccc(C2CCC(N[C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 541539564 ATGZUIXNDYMEIT-XTXLOEGASA-N 396.535 3.549 0 40 GHAB COc1ccc([C@@H](C)Cc2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 546427521 WOLYAWGUNDLFHC-DOTOQJQBSA-N 377.444 3.945 0 40 GHAB Cc1cccc(CN2CCOC[C@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)c1 585104773 SZGNEPFJFYQHTA-GBXCKJPGSA-N 378.516 3.807 0 40 GHAB O=C(N[C@@H]1c2ccccc2[C@@H]2CN(CC3CC(F)(F)C3)C[C@H]12)c1ccncc1 585109690 IUTOVMAJSMBPET-SLFFLAALSA-N 383.442 3.627 0 40 GHAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCN2C(=O)/C=C/c2ccco2)n1 585292926 UJNQHFCUHZHDFJ-LKGOPFMKSA-N 375.432 3.812 0 40 GHAB O=C(N[C@H](c1cccc(Cl)c1)C1CCCCC1)[C@@H]1CC[C@H](C(=O)O)NC1 630687740 IBQHRKWVIHYQJM-NXHRZFHOSA-N 378.900 3.530 0 40 GHAB COCC1(C2CCC2)CN(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)C1 664208883 ANACNORFYICFNZ-VQIMIIECSA-N 391.581 3.589 0 40 GHAB C[C@H](NC(=O)N1CCC(c2ccccc2C(=O)O)CC1)c1c(F)cncc1F 666547813 PALPAJOAJUFAHC-LBPRGKRZSA-N 389.402 3.708 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2onc(CN(C)C)c2c1 1775971257 YNIPSMXYKSIZPU-UHFFFAOYSA-N 379.869 3.652 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)o1 862166 AZIGXWYWQMVRAF-UHFFFAOYSA-N 388.424 3.560 0 40 GHAB CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc(OC)c2)cc1 862547 MARWSVHYGQPQED-IBGZPJMESA-N 397.500 3.525 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1 907465 PUQVVMCOWVASRK-UHFFFAOYSA-N 395.419 3.579 0 40 GHAB CCN(CC)C(=O)COc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O 1994370 HOXPYIPHYYNAOZ-UHFFFAOYSA-N 381.428 3.716 0 40 GHAB CCN(CC)CCCNc1ncnc2c1oc1nc3c(cc12)COC(C)(C)C3 2209899 BGOAKLQGZSQBJH-UHFFFAOYSA-N 383.496 3.766 0 40 GHAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc(-c3ccccc3O)nc21 2425765 IPZXMERIPNUANC-UHFFFAOYSA-N 376.807 3.798 0 40 GHAB CCCCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1CCCC 4087440 USPHIMSESWUWSA-UHFFFAOYSA-N 376.526 3.909 0 40 GHAB O=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)C(c1ccccc1)c1ccccc1 4497346 BCVYWAYZAFEYKH-FQEVSTJZSA-N 388.442 3.879 0 40 GHAB Cc1cccc(C)c1OCc1nnc(SCC(=O)N2CCc3ccccc32)o1 4816173 LCWPPCOWESWGBZ-UHFFFAOYSA-N 395.484 3.947 0 40 GHAB COCCN(C(=O)Cc1ccccc1OC)c1nnc(-c2ccc(C)cc2)s1 4880582 CSKNDLAYDDNTBD-UHFFFAOYSA-N 397.500 3.744 0 40 GHAB O=C(OCc1ccc(Br)cc1)C1=NN(c2ccccc2)C(=O)CC1 5520251 QPWLPNULXDIJMB-UHFFFAOYSA-N 387.233 3.675 0 40 GHAB O=C(COc1ccc(Cl)cc1)NC(=S)NC12CC3CC(CC(C3)C1)C2 6527988 ILHXYKRLCDXDKJ-UHFFFAOYSA-N 378.925 3.678 0 40 GHAB Cc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 6531842 XZSPNJZOULLWEJ-UHFFFAOYSA-N 396.560 3.812 0 40 GHAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1 6849047 VXMUIWSFNGAZHD-UHFFFAOYSA-N 377.897 3.571 0 40 GHAB Cc1cc(/C=C(\C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(Cl)c(Cl)c1 6961501 YHHPPPKOSIAFKS-WUXMJOGZSA-N 377.231 3.503 0 40 GHAB CC(=O)Nc1ccc(C(=O)COc2ccc(F)cc2Br)c(F)c1 7293712 CQCDFOWNGVHROE-UHFFFAOYSA-N 384.176 3.947 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(SC)cc2)c1C 7412348 GNICRDAUTMRULG-ZDUSSCGKSA-N 389.473 3.958 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)C1CCCCC1 8169435 OHWCGQPAMOOIPK-UHFFFAOYSA-N 379.309 3.526 0 40 GHAB Cc1cc(C(=O)Cn2nnc3ccccc32)c(C)n1Cc1ccc2c(c1)OCO2 8777501 UAVWEMKSPHVVEK-UHFFFAOYSA-N 388.427 3.510 0 40 GHAB CCc1ccccc1NC(=O)CNc1ncnc2c1cnn2-c1ccc(F)cc1 9456469 INMOPZJZDNKYQP-UHFFFAOYSA-N 390.422 3.568 0 40 GHAB CC[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1cccc(C(C)=O)c1 9593310 KEUHEIRAGGCERC-QGZVFWFLSA-N 395.488 3.589 0 40 GHAB Cc1cccc(N2CCN(C(=O)NCCCc3nc4ccccc4[nH]3)CC2)c1C 9756143 SOAZGKKQMQZBKX-UHFFFAOYSA-N 391.519 3.644 0 40 GHAB CC(=O)CC(=O)CSc1nc2ccccc2c2nc(-c3ccc(F)cc3)nn12 9937948 QUVOMHSGWUJXOW-UHFFFAOYSA-N 394.431 3.724 0 40 GHAB Cc1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)ccc1Br 10314625 UOQVNEBUPOTZBP-UHFFFAOYSA-N 397.294 3.690 0 40 GHAB COc1ccc(C2(NC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)CCCC2)cc1 12116860 CUMHVLOVWZEHJS-UHFFFAOYSA-N 393.491 3.635 0 40 GHAB CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)CC2CCCCC2)n1 12125927 KTSSJQJCJXOYCT-UHFFFAOYSA-N 383.496 3.865 0 40 GHAB CC(C)C(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccncc2)cc1 12220093 JAJXOQBSEPJOBJ-UHFFFAOYSA-N 375.476 3.544 0 40 GHAB COc1cccc2cc(/C=C/C(=O)OCC(=O)N3c4ccccc4C[C@@H]3C)oc12 12252376 LGDQLHCZCYCUMH-NKSUMMKUSA-N 391.423 3.976 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3sc4nc(C)nc(C)c4c3C)CC2)c1 12536904 QMTVMFBZIUGRSE-UHFFFAOYSA-N 380.517 3.887 0 40 GHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCN(c2ccccc2)CC1 12563122 BHQVUTDZRXJHDH-UHFFFAOYSA-N 379.435 3.762 0 40 GHAB CC[C@@H](C)C(=O)N1CCN([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 12941295 LAXVVUQDTNYBLH-KGLIPLIRSA-N 376.888 3.641 0 40 GHAB O=C(CCN1C(=O)COc2ccccc21)Nc1nc(-c2ccccc2)cs1 12983743 IMQHBIHRDOGPFI-UHFFFAOYSA-N 379.441 3.564 0 40 GHAB Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1C 12996953 HYEAKOZEZNQWQF-UHFFFAOYSA-N 378.519 3.792 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccccc1C(F)(F)F 13006256 UHJCRTJSFJREDI-GFCCVEGCSA-N 378.350 3.848 0 40 GHAB O=C(NC1CCCC1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 13039735 AQJSXGVZKGGEFV-UHFFFAOYSA-N 396.871 3.952 0 40 GHAB Cc1cccc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1C 13070821 PKZXTEHYGRMUSZ-UHFFFAOYSA-N 398.450 3.833 0 40 GHAB COC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(C(C)C)C4)cc1 13690928 RMOSRWVOQGCAEP-UHFFFAOYSA-N 395.411 3.932 0 40 GHAB biogenic O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21 13696964 FEGWPXQLHUHPSM-UHFFFAOYSA-N 396.512 3.665 0 40 GHAB O=C(CCn1ccc2ccc(Br)cc21)NCCc1ccc(O)cc1 13736286 AQOGSQLZWWHPCV-UHFFFAOYSA-N 387.277 3.858 0 40 GHAB CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1cccc(OC)c1 13788337 QKLFXPMLTHOBPP-UHFFFAOYSA-N 394.471 3.988 0 40 GHAB O=C(NCCCn1nc(-c2ccco2)ccc1=O)c1cc(Cl)ccc1Cl 13797750 IXPLSZLAKBSPKX-UHFFFAOYSA-N 392.242 3.630 0 40 GHAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(=O)NC[C@H]1CCCO1 14000055 DMQFUTVCPMAHPK-LPQFERQCSA-N 384.863 3.901 0 40 GHAB CC(C)(C)c1ccccc1OC[C@H](O)CSc1nnnn1Cc1ccccc1 14238503 KDIXGFLWGMOMJW-KRWDZBQOSA-N 398.532 3.551 0 40 GHAB COc1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 15317942 PPWLYMHUUHTBQO-UHFFFAOYSA-N 393.512 3.891 0 40 GHAB Cc1cccc(Cc2cnc(NC(=O)CNC(=O)c3cccc(F)c3)s2)c1 15584491 IGLLHCUNJFCESB-UHFFFAOYSA-N 383.448 3.550 0 40 GHAB COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)N[C@@]23C(=O)Nc2ccccc23)cc1 16026550 HXEBBNTUZKJLOZ-BTCOZLQPSA-N 393.487 3.506 0 40 GHAB biogenic Cc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 16362939 LYUVAXVBOFCBMD-UHFFFAOYSA-N 386.517 3.957 0 40 GHAB Cc1cc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2O)c2ccccc2)no1 16814775 MMBHPBXIIPPSKR-QGZVFWFLSA-N 386.791 3.879 0 40 GHAB COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 17721752 SROYVBSRTNKJEG-LSBZLQRGSA-N 393.439 3.840 0 40 GHAB CNC1CCC2(CC1)CN(Cc1cccc(OC)c1OC)Cc1ccccc1O2 19591989 TVSKYJZWMJRLFO-UHFFFAOYSA-N 396.531 3.999 0 40 GHAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20107976 DGGBIHWNLMDTMM-UHFFFAOYSA-N 399.497 3.857 0 40 GHAB Cn1cccc1[C@@H](CNC(=O)Cc1cccs1)N1CCc2ccccc2C1 21151570 FCEWLAISHZWWCR-OAQYLSRUSA-N 379.529 3.545 0 40 GHAB O=C(Nc1ccccc1N1CCCC1)C1CCN(C(=O)OCC(F)(F)F)CC1 22192709 FQEDSHDWIXQZDU-UHFFFAOYSA-N 399.413 3.636 0 40 GHAB CCn1cc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c(=O)c2cc(C)ccc21 22234775 JVEUWTDLOKWVPH-HNNXBMFYSA-N 394.471 3.838 0 40 GHAB CN(C)[C@@H](CNC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccco1 22381622 TYNWJDWBHNSHQI-HNNXBMFYSA-N 389.402 3.565 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(c2ccccc2Cl)CC1 25100197 YBCUSDLFZJQQAD-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB Cc1cc(=O)c(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)nn1-c1ccccc1F 25144420 HRSFOBQPTZWTGX-STQMWFEESA-N 397.372 3.531 0 40 GHAB CC1CCC(NC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)CC1 25361668 CFTUCNAGZQGGAV-UHFFFAOYSA-N 379.456 3.997 0 40 GHAB COc1ccc([C@@H]2CCCN2CCS(=O)(=O)c2ccc(Cl)cc2)cc1 25415586 IOTKPGPOIDSXSI-IBGZPJMESA-N 379.909 3.959 0 40 GHAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1CCC(C(=O)c2ccccc2)CC1 25913385 SCTQYWCHVOXVON-KRWDZBQOSA-N 388.467 3.623 0 40 GHAB CNC(=O)c1ccccc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C 27402536 UGVTVLIBXYAGDI-UHFFFAOYSA-N 399.447 3.782 0 40 GHAB CCOC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1Cc1ccccc1 27579247 BHHBIIHJSLSGLE-UHFFFAOYSA-N 397.500 3.581 0 40 GHAB CCc1cc2c(=O)n(CC(=O)N[C@H](C)c3ccccc3Cl)cnc2s1 28032893 ICIZUVGLZIHGKS-LLVKDONJSA-N 375.881 3.551 0 40 GHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(-c2ccc(F)cc2)o1 30032026 HWLQZMFQBXQESW-UHFFFAOYSA-N 383.404 3.656 0 40 GHAB Cc1ccc(Cn2ncc3c2N=C(O)C[C@@]32C(=O)N(C)c3ccc(C)cc32)cc1 32101233 WFYKKMQXWACHGP-QHCPKHFHSA-N 386.455 3.802 0 40 GHAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 32754494 DAVPGWIQVDRBAZ-HNNXBMFYSA-N 391.471 3.957 0 40 GHAB CN(Cc1ccc(Br)cc1)C(=O)NCc1cnn(-c2ccccc2)c1 32891578 XSGNBESSUFMAIZ-UHFFFAOYSA-N 399.292 3.976 0 40 GHAB O=C1COc2ccc(NC(=O)c3cccc(OCc4ccc(F)cc4)c3)cc2N1 39976107 XZOQZVHYHWASQA-UHFFFAOYSA-N 392.386 3.988 0 40 GHAB CNC(=O)Nc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 40047236 CCLPXZKKMJBHLK-UHFFFAOYSA-N 378.388 3.536 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CCCN(c2nc3ccccc3s2)C1 40114706 NNUCXPFXJNNZJT-LBPRGKRZSA-N 385.518 3.880 0 40 GHAB O=C(c1cc(F)cc(F)c1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 40121994 RTDMLASXUBLVCW-UHFFFAOYSA-N 398.331 3.582 0 40 GHAB C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 40144573 QLQXLICMGVPTLZ-OAHLLOKOSA-N 384.451 3.929 0 40 GHAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2)C1 40150223 XBSSSFIVOMMIFY-BFYDXBDKSA-N 395.341 3.692 0 40 GHAB Cc1cc(NC(=O)c2ccc(-n3c(C)c[nH]c3=O)cc2)ccc1Br 40158102 PYXJGZMUWNGORQ-UHFFFAOYSA-N 386.249 3.797 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 47539613 NXRMRGMPZOVBJA-HNNXBMFYSA-N 375.513 3.565 0 40 GHAB CCOc1ccccc1OCCCC(=O)N1CCN(C)C[C@@H]1c1ccccc1 48325821 QBDDEYSZXQOSJG-HXUWFJFHSA-N 382.504 3.760 0 40 GHAB Cc1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(C(F)(F)F)nn1C1CCN(C)CC1 49362654 NSACROWCRXSFBE-BETUJISGSA-N 386.462 3.595 0 40 GHAB CC1=NN(c2ccc(C(=O)NCc3cnn(-c4ccc(F)cc4F)c3)cc2)CC1 52055447 FCCIEYLXOKBMIX-UHFFFAOYSA-N 395.413 3.667 0 40 GHAB O=C(CN1CCCN(CC2CCCCC2)CC1)Nc1ccc(N2CCCC2)cc1 54318771 GJFAKODHDMCBKW-UHFFFAOYSA-N 398.595 3.813 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3(c4cccc(C)c4)CC3)C2)nc1 56080570 XLQRAHPNUHQYGV-GOSISDBHSA-N 377.488 3.607 0 40 GHAB C[C@H](SCc1ccccc1)C(=O)N1CCC[C@H](C(=O)Nc2nccs2)C1 57995148 MFACXAGPFSGKLY-HOCLYGCPSA-N 389.546 3.642 0 40 GHAB O=C(CCc1ccccc1)NC1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 58229839 KRGJTRNDYLFLBF-UHFFFAOYSA-N 390.527 3.848 0 40 GHAB O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1CSCN1C(=O)c1ccccc1 67046173 ZQAMXPJPGKWIBD-HNNXBMFYSA-N 398.381 3.998 0 40 GHAB COc1c(C)cnc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1C 67226839 HBGNTSJDOJXUOZ-UHFFFAOYSA-N 379.504 3.764 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(CCc2ccc3c(c2)CCO3)CC1 72304841 YVDZBOJVFBUHSH-UHFFFAOYSA-N 393.483 3.530 0 40 GHAB O[C@@H](c1cccnc1)c1ccccc1N1CCN(Cc2ccccc2F)CC1 72340646 JDXBEGSTRVELBE-QHCPKHFHSA-N 377.463 3.625 0 40 GHAB C[C@@H]1CCc2onc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)c2C1 72396292 YZFDQOZLZNIYKS-DNVCBOLYSA-N 390.487 3.852 0 40 GHAB CC(C)C(=O)NC1CCN(Cc2cc(Br)cc3cccnc23)CC1 78995924 SVZXTAHCRZAEEF-UHFFFAOYSA-N 390.325 3.734 0 40 GHAB COc1ccc(CCNC(=O)c2cc(C(C)C)nn2-c2ccccc2)cc1OC 79480058 SMBQTPLEKLYHKC-UHFFFAOYSA-N 393.487 3.985 0 40 GHAB CCc1noc(-c2cc(Cl)ccc2NS(=O)(=O)c2cc(C)ccc2O)n1 89295477 BHMRUMXCLSRAOO-UHFFFAOYSA-N 393.852 3.767 0 40 GHAB CO[C@@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(C)s1 96104817 FTHYDTGDSJODSH-AWEZNQCLSA-N 393.452 3.882 0 40 GHAB COc1cccc(NC(=O)c2ccc3nnc4ncn(CC(C)C)c4c3c2)c1 96146642 KEKFQDAAJVRBJW-UHFFFAOYSA-N 375.432 3.896 0 40 GHAB Cc1nc(CN2CC[C@]3(CN(Cc4cccnc4)CCC3(F)F)C2)cs1 96239786 LLECEMKWEQJHRL-SFHVURJKSA-N 378.492 3.580 0 40 GHAB CN(C)c1nccc(CN(C)c2nc(-c3ccsc3)nc3ccccc23)n1 97033579 LDOUFCMGZGWIRA-UHFFFAOYSA-N 376.489 3.851 0 40 GHAB O=C(O)Cc1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1 98210733 JWJXGOQMOQQWIH-VIFPVBQESA-N 397.065 3.880 0 40 GHAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(c3ccc(CC)cc3)[C@@]1(C)Oc1ccccc12 100029715 UQSLSMYRFOPMJB-IPJJNNNSSA-N 396.512 3.973 0 40 GHAB CSc1ccccc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 113965290 YAZHQMHTJQCWGH-UHFFFAOYSA-N 396.509 3.733 0 40 GHAB Cc1nc(C(=O)N2CCC[C@H](Cc3nc(-c4ccccc4C)no3)C2)cs1 220789551 AKTRTYTYJYXYFQ-OAHLLOKOSA-N 382.489 3.905 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C 222849268 IFYOSUKHWBUNKW-JOCHJYFZSA-N 396.531 3.878 0 40 GHAB CCN(Cc1ccc(C(=O)NC2CCCC2)cc1)S(=O)(=O)c1ccccc1 224442265 IXZDJSJHMGVJPO-UHFFFAOYSA-N 386.517 3.570 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C 224900767 FOZVZJCHCLRFGR-UHFFFAOYSA-N 375.428 3.581 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 225350778 HIAIIBWWZIIMKG-OALUTQOASA-N 396.531 3.960 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1F 225718549 MYQFFSWPKSUDGP-LJQANCHMSA-N 386.467 3.537 0 40 GHAB CC[C@@H](NC(=S)Nc1cccc(OC)c1)c1ccc(S(C)(=O)=O)cc1 225722684 WIKOQHKBBSPSIT-QGZVFWFLSA-N 378.519 3.536 0 40 GHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 225734495 ZBZNHGJMXZRRQA-JOCHJYFZSA-N 392.540 3.568 0 40 GHAB Cc1cc(C)cc(N(CCCC(=O)Nc2c(F)cccc2F)S(C)(=O)=O)c1 225736848 MCQPWYNERKGTER-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB CCOC[C@]1(N)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242437549 CFQISRVUFFPHTG-AQNXPRMDSA-N 393.936 3.576 0 40 GHAB COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)O[C@@H]1CC[C@H](C)[C@H](C)C1 245231678 HUYGQRAVZXPWSL-HXYMJUCXSA-N 388.533 3.856 0 40 GHAB O=C(N1CCC[C@H](c2nc3ccccc3[nH]2)C1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 247777872 YQFKPLSZLFKERW-LINZTHPZSA-N 379.504 3.600 0 40 GHAB Cc1c[nH]c(-c2cc(C3CCN(Cc4cccc(C(=O)O)c4)CC3)nc(C)n2)n1 257250781 JNZAKIDYFVWVTC-UHFFFAOYSA-N 391.475 3.561 0 40 GHAB COc1ccc(CN2C[C@H]3Cc4ncc(-c5ccc(OC)cc5)n4C[C@@H]3C2)cc1 306134058 NCSUQYUOSZPOIV-UXHICEINSA-N 389.499 3.872 0 40 GHAB COc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1 408564093 XQAXJPHBAZGLIO-UHFFFAOYSA-N 394.427 3.544 0 40 GHAB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)Nc1ccc(F)cc1 408659810 POCUPYYIBQVUJS-AFMUBRCDSA-N 395.430 3.853 0 40 GHAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@H](C)c1ccccc1 409333162 CNISWZKXTMQEFL-QKLQHJQFSA-N 388.533 3.565 0 40 GHAB Cc1c2ccc(NC(=O)N3CCC=C(c4cn(C(C)C)nn4)CC3)cc2nn1C 519524487 NFHGVXDJNUWULH-UHFFFAOYSA-N 393.495 3.765 0 40 GHAB O=S(=O)(c1cccc2ccccc12)N1CC[C@@H](Oc2ccncc2Cl)C1 575610551 KOXFPKAYTDYRPG-OAHLLOKOSA-N 388.876 3.730 0 40 GHAB C[C@]1(c2ccccc2)CCCN(C(=O)NCc2cccnc2-n2ccnc2)CC1 585082661 AWAJVOUPMIGHOG-QHCPKHFHSA-N 389.503 3.921 0 40 GHAB CC(=O)N1c2ccccc2C[C@H]1c1nc(Cc2cc(C(F)(F)F)ccn2)no1 585085355 SDZXJWHETXPLBX-INIZCTEOSA-N 388.349 3.725 0 40 GHAB CCN(C(=O)c1ccnc2ccnn12)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 585123886 KEQZQJXKGNYMRQ-ZDUSSCGKSA-N 376.382 3.841 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1cc2ccccc2oc1=O 585148209 QYBZJKJGUYBLEA-GOSISDBHSA-N 375.380 3.516 0 40 GHAB c1cc(-c2cnc3cc(CCC4CCNCC4)ccn23)nc([C@H]2CCCNC2)c1 585263105 KMTXDSSKNIZADW-FQEVSTJZSA-N 389.547 3.796 0 40 GHAB O=S(=O)(CCc1cc(Cl)c2c(c1)OCCCO2)C[C@@H]1CC[C@H]2C[C@@H]2C1 621996238 PSHMKGPQUNMAJB-PMPSAXMXSA-N 384.925 3.895 0 40 GHAB O=C(NCc1nc(-c2ccccc2F)cs1)N[C@@H]1CCO[C@H]1c1cccnc1 623103747 HHJNXBOMXNGDIS-APWZRJJASA-N 398.463 3.674 0 40 GHAB O=C(NCc1nc2ccccc2n1C1CC1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21 664662822 AESUXVAYOKTHEG-ORYQWCPZSA-N 376.435 3.648 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775978937 WERRLMKPPBKXDG-KRWDZBQOSA-N 391.489 3.875 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@@H]2CN(c3ncnc4ccccc34)C[C@H]2C1 1888914175 KNOYBFUATBRJJT-KBPBESRZSA-N 385.393 3.616 0 40 GHAB CC(C)(C)NC(=O)[C@@H]1CCN(c2ccc3ccc(Br)cc3n2)C1 1889130295 VFBBPLFLKCPUPO-CYBMUJFWSA-N 376.298 3.738 0 40 GHAB O=C(Cn1c(-c2ccccc2)noc1=O)Nc1ccccc1Oc1ccccc1 1332515 SNMVCOYFVINYSY-UHFFFAOYSA-N 387.395 3.934 0 40 GHAB CC(=O)NC1(c2ccc(F)cc2)CCN(C(=O)Nc2ccc(F)cc2F)CC1 1344272 NNODQMUJIBPBLW-UHFFFAOYSA-N 391.393 3.763 0 40 GHAB Nn1c(SCc2ccccc2Cl)nc2sc3c(c2c1=O)CCCC3 2181063 JMNRGZLSURZAHY-UHFFFAOYSA-N 377.922 3.996 0 40 GHAB CCCn1nc(C(=O)OCc2nc3ccccc3s2)c2ccccc2c1=O 2623956 TXFTZSQWLUANDS-UHFFFAOYSA-N 379.441 3.773 0 40 GHAB COc1ccc([C@H](NC(=O)NC[C@@H]2CCCO2)C(Cl)(Cl)Cl)cc1F 3176429 LLPNSQZLXLARNY-GWCFXTLKSA-N 399.677 3.724 0 40 GHAB NC(=O)C1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1 3356912 YZUJJPFLADTUOG-UHFFFAOYSA-N 399.903 3.954 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(I)cc2)c1C 3359576 VOFXXGVJXVECAF-UHFFFAOYSA-N 382.201 3.691 0 40 GHAB Cc1sc2nc(SCC(=O)N3c4ccccc4C[C@H]3C)n(C)c(=O)c2c1C 3569443 KBZVHJUUQMIAIG-LLVKDONJSA-N 399.541 3.682 0 40 GHAB CCOc1ccc(NC(=O)CCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 4159806 STLICDPFHVWLCL-UHFFFAOYSA-N 388.423 3.863 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 4672790 LWWZGCMAAYHUMA-CVEARBPZSA-N 390.505 3.548 0 40 GHAB Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)N2CCCC2)c2ccccc2n1C 4734672 HOXAUMUQOMRVNC-QHCPKHFHSA-N 387.483 3.654 0 40 GHAB COc1ccc2c(C)c(CCC(=O)NCc3ccc(C)cc3)c(=O)oc2c1C 4743492 ROUGMVOTFUBTRG-UHFFFAOYSA-N 379.456 3.976 0 40 GHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2nnc(C3CCCCC3)s2)CC1=O 4975577 WFXCCMDBNPXXEQ-HNNXBMFYSA-N 384.505 3.886 0 40 GHAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1)C(N)=O 5209343 FUDJENRIZXNBAN-ZDUSSCGKSA-N 384.505 3.850 0 40 GHAB C[C@H](CO)CCC(=O)[C@@H](C)[C@@H]1C(=O)C[C@H]2C[C@H]3C[C@@H](O)CC[C@@]3(C)C[C@]12C 5339489 WJLCVMWHBASUOP-WOQNMYSESA-N 378.553 3.773 0 40 GHAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)NCc1ccco1 5346324 GZTQSEUFFHZSQA-UHFFFAOYSA-N 375.380 3.748 0 40 GHAB biogenic CC[C@@H](C)c1ccc(NS(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1 5602726 VPYXJMJSWPBYBL-CYBMUJFWSA-N 376.478 3.968 0 40 GHAB Cc1ccc(OCC(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 5859174 GQIYMDARGDHQRC-UHFFFAOYSA-N 381.350 3.883 0 40 GHAB Cc1nnc(SC(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)s1 6452445 SOBOALOXHHGCRK-UHFFFAOYSA-N 384.486 3.585 0 40 GHAB COc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1OC 6650898 SHNDEOPXWASCAA-UHFFFAOYSA-N 379.338 3.711 0 40 GHAB CCc1nnc(S/C(=C\c2c(OCC#N)ccc3ccccc23)C(=O)O)[nH]1 7342594 IUHMNLAOXOOXSI-WJDWOHSUSA-N 380.429 3.640 0 40 GHAB CCCc1nnc(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)o1 7610285 YAMVTXUTOFVOBC-UHFFFAOYSA-N 383.495 3.608 0 40 GHAB CCCCC1CCC(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)CC1 7628951 XZVQNCSLCJTIET-IYXRBSQSSA-N 380.510 3.714 0 40 GHAB C[C@@H]1CCc2c(sc3ncnc(N(C)Cc4nc5ccccc5c(=O)[nH]4)c23)C1 7738537 XZLRNJKLNHSMHD-GFCCVEGCSA-N 391.500 3.689 0 40 GHAB CCc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 7790626 QGKPDYIMIRBSES-UHFFFAOYSA-N 383.883 3.554 0 40 GHAB COc1ccc(CNC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1 8272728 IOFPSKQADGWEBL-UHFFFAOYSA-N 387.439 3.852 0 40 GHAB Cc1coc2cc3oc(=O)c(CC(=O)Nc4ccc(CCO)cc4)c(C)c3cc12 8511410 DGCPISZQEBMJTI-UHFFFAOYSA-N 391.423 3.872 0 40 GHAB biogenic O=C(NCCOc1ccc2ccccc2c1)c1cccc(CN2CCCC2=O)c1 8709485 DPSOAYRYXYXVOI-UHFFFAOYSA-N 388.467 3.771 0 40 GHAB CNC(=O)[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccc(F)c(F)c1 8848515 CXNDLANVTUVKFT-NRFANRHFSA-N 398.409 3.761 0 40 GHAB O=C(CN(CC(=O)Nc1ccc(F)cc1)Cc1ccco1)Nc1ccc(F)cc1 8852570 VBTTZRSAQDQIRQ-UHFFFAOYSA-N 399.397 3.637 0 40 GHAB COc1cccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 9062730 QSZWYMLBCRKURD-UHFFFAOYSA-N 384.495 3.795 0 40 GHAB CSc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 9191882 LOUZAIIFSCCPTP-UHFFFAOYSA-N 390.530 3.754 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)cc2C)cc1 9237247 ZENZXYLKEJSZTK-RTBURBONSA-N 393.516 3.910 0 40 GHAB COc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 9338124 VWCGFKLDDMKDQS-KRWDZBQOSA-N 379.460 3.917 0 40 GHAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(CSc2nnc[nH]2)cc1 9614168 OQTIRMVIHYMJKH-UHFFFAOYSA-N 394.485 3.868 0 40 GHAB C[C@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(-n2ccnc2)cc1 10164047 DWVOTJRCCWJEDJ-AWEZNQCLSA-N 397.862 3.717 0 40 GHAB CCOc1cccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1 10294762 JZVORJDUNPGGHV-AWEZNQCLSA-N 396.468 3.774 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)Sc2nc(N)c3c4c(sc3n2)CCCC4)on1 10550588 VPEOPNGRGGEEBC-SECBINFHSA-N 389.506 3.568 0 40 GHAB C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(C)(=O)=O)cc1 10966251 DCUAKOOYNYCCLM-AWEZNQCLSA-N 396.512 3.941 0 40 GHAB COc1cc(OC)c(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1OC 11003580 RUTSJBMTDUZKQG-UHFFFAOYSA-N 393.823 3.779 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)NCCCCOc2ccc(Cl)cc2)c1C 11084444 SDSUZKIRNIUBJD-UHFFFAOYSA-N 378.856 3.661 0 40 GHAB CCn1cc(S(=O)(=O)Nc2ccccc2CN(C)C2CCCCC2)c(C)n1 12147731 CZOFXOXYXGCAQU-UHFFFAOYSA-N 390.553 3.777 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2cc(O)c(OCc3ccc(F)cc3)cn2)cc1 12169129 QWEIKLCXUFHQNP-UHFFFAOYSA-N 395.390 3.716 0 40 GHAB CC[C@@H](C)C(=O)N1CCC[C@](Cc2cc(-c3ccccc3C)no2)(C(=O)O)C1 12241823 QZTHDKFBPAAOJM-IVZQSRNASA-N 384.476 3.932 0 40 GHAB COc1cc([C@@H]2CC(=O)Nc3nc(N)sc32)ccc1OCc1ccc(F)cc1 12419387 WKVJNSREKRDTIW-AWEZNQCLSA-N 399.447 3.926 0 40 GHAB CCN(CC)CCn1c(NC(=O)[C@@H]2COc3ccccc3C2)nc2ccccc21 12549783 GYBVYAIHADQNAN-SFHVURJKSA-N 392.503 3.568 0 40 GHAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc2n1CCCCC2 12567637 IVFOZLRCIFRHGO-UHFFFAOYSA-N 384.461 3.684 0 40 GHAB CCOc1ccc(CN(CC)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1OC 12737989 KCCPUHRTXQFXQS-UHFFFAOYSA-N 391.489 3.507 0 40 GHAB O=C(COc1ccccc1F)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 12762171 QCGGXPVFMXVAHP-UHFFFAOYSA-N 398.413 3.967 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 12762951 JTQFOQKQGIEMIW-UHFFFAOYSA-N 393.770 3.894 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nncn1Cc1ccco1 12785936 FZAJPZGJXLSUOJ-NSHDSACASA-N 392.868 3.701 0 40 GHAB Cc1cc(NC(=O)[C@@H](OC(=O)C2=Cc3ccccc3OC2)c2ccccc2)no1 12847005 JWDJMFJAHFGYMV-FQEVSTJZSA-N 390.395 3.682 0 40 GHAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc4c(c3)CCC(=O)N4)o2)cc1 12851404 VNWGCXWFALFLMR-LBPRGKRZSA-N 393.399 3.548 0 40 GHAB O=C1CC[C@@]2(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)Sc3ccccc3N12 12853796 UPYSXEQMVMKAOD-KRWDZBQOSA-N 390.367 3.576 0 40 GHAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F 12935704 HEQLAYHWXVATEQ-QGZVFWFLSA-N 379.382 3.711 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cnc2c(cnn2C(C)C)c1 12999766 ZBJBINNNDAGQDA-FQEVSTJZSA-N 389.459 3.915 0 40 GHAB COc1cc(CN(C)C(=O)COc2cccc(Cl)c2)ccc1OC(F)F 13097679 KJFUFJZSFCHMNS-UHFFFAOYSA-N 385.794 3.987 0 40 GHAB COc1ccc(CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 14705958 FZDVAUNGOVDJIC-KRWDZBQOSA-N 382.485 3.876 0 40 GHAB Cn1cnnc1Sc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 14706704 JRNHMQFPZRMPSR-UHFFFAOYSA-N 396.497 3.920 0 40 GHAB COc1ccc(OC)c(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1 15883106 BLUBHAMYCCZVSW-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB O=C(COc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1)c1ccc(F)cc1 18241387 VAIIDLJAFZXCMF-OALUTQOASA-N 381.403 3.767 0 40 GHAB C[C@@H](CC(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2)n1cccn1 19455414 BIHVFJAETURYKS-FXAWDEMLSA-N 391.471 3.706 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)C[C@@H](C)O3)cc1OC 19498083 YTJLLMCLLLIISK-BEFAXECRSA-N 381.472 3.933 0 40 GHAB Cc1nn2c(NCCCn3ccnc3)c3c(nc2c1-c1cccs1)CCC3 19582115 HWWHFEOQUJXHMU-UHFFFAOYSA-N 378.505 3.954 0 40 GHAB Cc1ccccc1OC1CCN(CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 19664333 SMOFPIMDKJLKOB-UHFFFAOYSA-N 396.487 3.638 0 40 GHAB Cn1ncc(-c2csc(NC(=O)c3cccnc3)n2)c1-c1ccc(F)cc1 19697107 UIBXVDUYIMMLKJ-UHFFFAOYSA-N 379.420 3.997 0 40 GHAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2C(=O)c1c(-c2ccc(C)cc2)noc1C 19712340 BRPKGBHQKMGHIC-UXHICEINSA-N 395.503 3.964 0 40 GHAB O=C(Nc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857098 QTDWGWYCXSEJMC-INIZCTEOSA-N 392.908 3.521 0 40 GHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1-n1cnnn1 20724264 DDCSLTPIPWVUOS-UHFFFAOYSA-N 385.708 3.726 0 40 GHAB COc1ccc([C@@H](CNC(=O)C2=C(c3ccccc3)SCCO2)N(C)C)cc1 20738901 PHTQGBAPPXZNJU-LJQANCHMSA-N 398.528 3.546 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(S)n1-c1ccc(Cn2cncn2)cc1 20745174 VROGTBIRUKWURW-UHFFFAOYSA-N 398.879 3.525 0 40 GHAB CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(O)cc3)N2C1=O 22204832 PUKFGUIUJXFUQA-FPOVZHCZSA-N 389.455 3.952 0 40 GHAB Cc1ccc2c(CC(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)coc2c1 23156376 PTYDRASFGFNPDK-OAQYLSRUSA-N 396.462 3.613 0 40 GHAB CC[C@H](OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 23224660 VIQBAUPXISBFMX-YADHBBJMSA-N 388.939 3.991 0 40 GHAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc(Br)s1 23732674 MDELVVFZYMQYEZ-JTQLQIEISA-N 378.295 3.940 0 40 GHAB O=c1cc(CSc2nnc(NC3CC3)s2)nc2sc3ccccc3n12 24863917 NNWMJCACTGHGAD-UHFFFAOYSA-N 387.515 3.627 0 40 GHAB Cc1ccc(-c2nnc([C@H](C)NCc3ccccc3CN3CCOCC3)o2)cc1 25697077 MJWMVAGMADDHCA-SFHVURJKSA-N 392.503 3.728 0 40 GHAB CCN(CC)CCn1/c(=N/C(=O)[C@@H]2C[C@H]2c2ccccc2)[nH]c2ccccc21 28305566 SYSPJOSGUHVHJH-RBUKOAKNSA-N 376.504 3.542 0 40 GHAB CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 29551618 AJLFOPYRIVGYMJ-AQRMQOPESA-N 390.520 3.950 0 40 GHAB in-vitro CCN(CC(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12)C1CC1 29913292 YRGGMWFHELXKLN-OAQYLSRUSA-N 391.515 3.909 0 40 GHAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CN1C(=O)COc2ccccc21 30317036 HMVOHZHRMYQSKU-GFCCVEGCSA-N 393.270 3.938 0 40 GHAB O=S1(=O)C[C@H](N2CCCCC2)[C@@]12CC1c3ccccc3C2c2ccccc21 31716400 WIBBDCVETMOSAZ-NFJGTOLLSA-N 379.525 3.689 0 40 GHAB Cc1ccc(N2C(SCc3ccccc3C)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1 32641045 WTQDAWZIZFFGJF-RBUKOAKNSA-N 386.542 3.578 0 40 GHAB COc1cc(CN(C(=O)c2ccc3[nH]cnc3c2)C2CC2)ccc1OC(F)F 32772466 GXZOGYMZAOVJRN-UHFFFAOYSA-N 387.386 3.978 0 40 GHAB CCc1ccc2c(CC(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)coc2c1 32842192 AIQUMOYTYHSSAR-HXUWFJFHSA-N 396.487 3.629 0 40 GHAB CC(C)c1c(C(=O)NCCOc2ccc(Cl)cc2)cnn1-c1ccccn1 32914238 WRMCTJRBKGIRPI-UHFFFAOYSA-N 384.867 3.853 0 40 GHAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc(F)c1C 33740457 SRTMOMATIGHTJK-KUHUBIRLSA-N 392.496 3.774 0 40 GHAB Cc1ccc(NC(=O)c2sc3ncn(C[C@H]4CCCO4)c(=O)c3c2C)cc1 35673331 ZXKRFXRCLNYCBA-OAHLLOKOSA-N 383.473 3.506 0 40 GHAB CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 40072274 MBHRJPRNDNFLOW-UHFFFAOYSA-N 380.469 3.904 0 40 GHAB O=C(Nc1ccc(-c2csnn2)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 40157866 ZMXNAYXSGIKSLH-CYBMUJFWSA-N 398.875 3.850 0 40 GHAB O=C(NCc1ccccc1CN1CCCCC1)N[C@H]1CCOc2ccccc21 45124185 IMWPDRPTJULROL-NRFANRHFSA-N 379.504 3.996 0 40 GHAB CN(C)C(=O)N1CCC(C(=O)OCc2sc3ccccc3c2Cl)CC1 46371402 KCFYRKMXMHILPO-UHFFFAOYSA-N 380.897 3.992 0 40 GHAB CCN1C[C@H](CN(C)C(=O)c2c[nH]nc2-c2ccc(F)cc2)Oc2ccccc21 48290933 HEBRTNFWKLWHTI-KRWDZBQOSA-N 394.450 3.575 0 40 GHAB Cc1csc2nc(CN(C)CCCOc3ccc(Cl)cc3)cc(=O)n12 48367739 SRRXLKYZZNCCHI-UHFFFAOYSA-N 377.897 3.619 0 40 GHAB O=C(NCCc1nccs1)C1(c2cccc(C(F)(F)F)c2)CCOCC1 50450058 FDCXFGPNRYLBSD-UHFFFAOYSA-N 384.423 3.569 0 40 GHAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CCC(=O)Nc1ccc(C(C)C)cc1 58032073 BYMFKZMAYGPLIK-UHFFFAOYSA-N 376.460 3.835 0 40 GHAB NC(=O)c1cc(NC(=O)c2cc3cccc(Br)c3o2)ccc1F 58101019 POPFKOLCNDRGJF-UHFFFAOYSA-N 377.169 3.686 0 40 GHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1(C)C 58427497 XCWCMOFNDOWIHB-UYAOXDASSA-N 390.487 3.721 0 40 GHAB CCCc1[nH]ncc1C(=O)OCC(=O)N1c2ccccc2CCc2ccccc21 61492635 QIKCNXMYJKDQPR-UHFFFAOYSA-N 389.455 3.983 0 40 GHAB COc1cccc(-c2nc(C(=O)N[C@@H](C)C(=O)O)cc3c2[nH]c2ccccc23)c1 61999449 OGISDZAPNRRFBO-LBPRGKRZSA-N 389.411 3.595 0 40 GHAB biogenic CCc1cc(=O)[nH]c(-c2ccc(NC[C@H](c3ccc(C)o3)N3CCCC3)nc2)n1 68697450 AQZWOQZAMCQAGS-GOSISDBHSA-N 393.491 3.545 0 40 GHAB Cc1ccc2nc(SCc3ccc(Br)cc3F)n(N)c(=O)c2c1 71327788 DLBYGLSGRQQZEE-UHFFFAOYSA-N 394.269 3.613 0 40 GHAB Cc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C3CCOCC3)C2)c1 72362898 FHAGIMOVRSKDSQ-GOSISDBHSA-N 381.476 3.710 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)Cc1ccsc1 72396994 GOWSPKQLRSAQMM-SFHVURJKSA-N 381.501 3.738 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 79020250 NGABRZLRJPAUDO-HOCLYGCPSA-N 395.931 3.917 0 40 GHAB O=C(OCc1ccc2cn[nH]c2c1)c1csc(-c2ccc3c(c2)OCCO3)n1 84494041 YJKAGGDUOGXGDW-UHFFFAOYSA-N 393.424 3.815 0 40 GHAB CC1(C)Cc2cccc(OCCNc3cnn(C(C)(C)C)c(=O)c3Cl)c2O1 84673824 MHQITEBPGIINCO-UHFFFAOYSA-N 391.899 3.856 0 40 GHAB CCOc1ccc(-c2nc(NC(=O)C(C)C)sc2CC(=O)O)cc1OCC 85397439 SHAHVMKTWFUMPG-UHFFFAOYSA-N 392.477 3.829 0 40 GHAB COc1ccccc1S(=O)(=O)N1CCC(CSc2nc(C)cs2)CC1 90608157 WVSDYOHWPBPURK-UHFFFAOYSA-N 398.575 3.653 0 40 GHAB C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)/C=C/c1cnc2ccccc2n1 95430432 QHVBKRAENNOUSF-IGXNXKSNSA-N 396.491 3.547 0 40 GHAB CC(=O)c1ccc(N2CCC(OC(=O)[C@@H](C(C)C)N3CCCCC3)CC2)cc1 95943893 BUESDTQAHHWRML-JOCHJYFZSA-N 386.536 3.912 0 40 GHAB CO[C@H]1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 96122372 FACSUWJXVCUUJF-AWEZNQCLSA-N 384.860 3.505 0 40 GHAB COc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 97960664 RCFGNLTUIOPLML-UHFFFAOYSA-N 397.481 3.700 0 40 GHAB Cc1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102085369 WMWUOHCUGAOQAH-ATUYINLCSA-N 399.446 3.772 0 40 GHAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1sc(C(C)C)cc1C(N)=O)[C@H]2C(=O)O 102336114 CMENHWNZDUNOFG-WVATUKLVSA-N 390.505 3.602 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)/N=c2\cc[nH]n2[C@H](C)C2CC2)no1 103961598 YYAXDWIUINNNHB-OVEYAIEOSA-N 383.477 3.512 0 40 GHAB Cc1ccc(N(CCCC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 113955512 OOPYBTTVZGZTBP-UHFFFAOYSA-N 394.924 3.511 0 40 GHAB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 193902228 OZQKXZFAXNZPAV-HOTGVXAUSA-N 397.496 3.888 0 40 GHAB CC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 217475511 XEAFOHNBYGRISO-KBPBESRZSA-N 376.478 3.635 0 40 GHAB Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)c1 222715739 VZERXMDJZGQQOJ-SFHVURJKSA-N 394.515 3.856 0 40 GHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 223075979 MBGGVTLRPMUNIY-SFTDATJTSA-N 392.528 3.881 0 40 GHAB CCc1ccc(CC)c(CNC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)c1 223399175 PLGIQMSFLSOBAO-UHFFFAOYSA-N 388.533 3.527 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCc3ccco3)c2)cc1 223960038 YJNOLNBLARYQNU-UHFFFAOYSA-N 398.484 3.751 0 40 GHAB CCCCNC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224334087 JWGGBLOHJTUAFN-UHFFFAOYSA-N 380.897 3.695 0 40 GHAB CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Br)cc1 224734160 TVRDTYFSQWWJCM-UHFFFAOYSA-N 376.222 3.943 0 40 GHAB Cc1ccccc1-c1noc(CNC(=O)c2ccc(Cn3ccnc3C)cc2)n1 225300522 BYBLWYQHDUKLQG-UHFFFAOYSA-N 387.443 3.528 0 40 GHAB O=C(COc1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257203228 APDMTFINZGJNDO-HXUWFJFHSA-N 377.444 3.793 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)CC1 257223673 DYKCBWRZISJALL-UZLBHIALSA-N 394.490 3.785 0 40 GHAB O=C(CN1CCCCC1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257244321 IKUBYEQWJQNCLZ-HXUWFJFHSA-N 385.483 3.944 0 40 GHAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Cn5cccn5)cc4)OCC[C@@]31C2 257272229 NBNQWJJBDUARBF-SWAMLEPWSA-N 393.531 3.950 0 40 GHAB CC[C@H](O)Cn1nc(-c2cc(CC(=O)O)ccc2OC)cc1-c1cccc(F)c1 257343965 ZVDGQBASWKBVPA-KRWDZBQOSA-N 398.434 3.763 0 40 GHAB CCOC(=O)COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1 408585520 ZBIIEJFKMAABST-UHFFFAOYSA-N 391.489 3.861 0 40 GHAB CC(C)(C)OC(=O)[C@H](Cc1ccc(C(=O)O)cc1)NC(=O)OCc1ccccc1 498050793 RSRFHNIDRTXGOC-SFHVURJKSA-N 399.443 3.564 0 40 GHAB CC(C)(NC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cn(-c2ccccc2)nn1 566657529 KZOBPNIEXVPQQJ-SAABIXHNSA-N 393.466 3.887 0 40 GHAB COc1ccc2cc(C(=O)N3Cc4ccccc4[C@@H](c4cnn(C)c4)C3)[nH]c2c1 575621123 XYNLQDZDZURKAC-HXUWFJFHSA-N 386.455 3.698 0 40 GHAB Cc1nc(-c2ccccc2F)sc1C(=O)N1CCN(CC(F)(F)F)CC1 577956699 LAQIPFZVBITVKE-UHFFFAOYSA-N 387.402 3.578 0 40 GHAB Cc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4cccnc4)C[C@H]3C)[nH]c12 585083099 PFTOWWNSCUZLEQ-OAHLLOKOSA-N 382.895 3.871 0 40 GHAB Cc1ccc(C)c2nc(O)c(CNC[C@H](O)COc3ccc(Cl)cc3)cc12 585284987 MVJVYXAHJAZMMD-KRWDZBQOSA-N 386.879 3.740 0 40 GHAB CCOc1ccccc1CCC(=O)N1Cc2ccccc2[C@H](c2cnn(C)c2)C1 585408536 JPBLUTGMQXTXFC-QFIPXVFZSA-N 389.499 3.926 0 40 GHAB O=C([C@@H]1CCC1(F)F)N1CCCCC[C@@H](Nc2ccc(C(F)(F)F)nn2)C1 1615610847 PBDGPXRCYXUWET-NEPJUHHUSA-N 392.372 3.724 0 40 GHAB O=C1CC2(CCCCCC2)N(C(=O)c2cccc(C(=O)Nc3ccccc3)c2)N1 1627805204 FYKJUOKRUDVEBR-UHFFFAOYSA-N 391.471 3.909 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NCCc1ccc(-c2cnn(C)c2)s1 1889283834 GTIYPYVJUAGOHV-UHFFFAOYSA-N 395.937 3.631 0 40 GHAB O=C(CCSc1nnc(-c2ccc(Br)cc2)o1)N1CCCCC1 645126 GJEJJVFSAJAHBD-UHFFFAOYSA-N 396.310 3.994 0 40 GHAB CCOC(=O)c1c(CN2CCCC2)n(C)c2cc(Br)c(OC)cc12 862844 YXXWJBPMOQLGCR-UHFFFAOYSA-N 395.297 3.722 0 40 GHAB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 936890 FBRAQXNZYUKUJM-HXUWFJFHSA-N 389.459 3.831 0 40 GHAB CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(C)cc4)c(=O)n3n2)cc1 1806271 XROUJJFSGCVKFF-RGEXLXHISA-N 391.496 3.853 0 40 GHAB COc1cccc2cc(-c3cc(=O)oc4c(C)c(OC(C)=O)ccc34)c(=O)oc12 2112624 FHUQESKFCCJRHD-UHFFFAOYSA-N 392.363 3.809 0 40 GHAB biogenic Cc1ccc(NC(=O)COc2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1 2417672 JGKIKMOQVFURJD-UHFFFAOYSA-N 399.450 3.926 0 40 GHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)N2C(=O)[C@@H](C)SC2=N1 2463331 LFFLCFDLZGJMTJ-MLGOLLRUSA-N 376.453 3.674 0 40 GHAB COc1cccc(-c2nnc(S[C@H]3CCOC3=O)n2-c2ccc(C)cc2)c1 2652856 YKPDOZHHTOLPOB-KRWDZBQOSA-N 381.457 3.659 0 40 GHAB CSCC[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1nc2ccccc2[nH]1 2653824 ITYMRZCKQCMQDB-SFHVURJKSA-N 392.484 3.629 0 40 GHAB COc1ccc(-c2csc(NC(=O)COC(=O)/C=C/c3ccco3)n2)cc1 2663938 SQDQBJHUAWYKSP-CMDGGOBGSA-N 384.413 3.607 0 40 GHAB O=C(c1ccc2c(=O)n(Cc3ccccc3Cl)c(S)nc2c1)N1CCCC1 2969741 HIAGYQUNZCRIKF-UHFFFAOYSA-N 399.903 3.623 0 40 GHAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)NCc1ccc(Cl)cc1 3289058 LOCGTGXJMFGZEG-UHFFFAOYSA-N 387.741 3.712 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)c1C 3313377 WVUXFOJCZBSLQK-UHFFFAOYSA-N 382.416 3.638 0 40 GHAB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1C[C@H]1CCCO1 3428619 XXLNUUGCQZLMSV-GOSISDBHSA-N 381.432 3.596 0 40 GHAB CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@H](C(=O)OC[C@@H](C)O)C1)[C@@H]32 4214635 WCFTYXWKCDJUFP-COFZXWSMSA-N 382.504 3.600 0 40 GHAB in-man Cc1cc(C)c2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc2c1 4292214 DFPHXSJWGHAFEU-UHFFFAOYSA-N 379.441 3.819 0 40 GHAB Cc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)c(C(=O)c2ccccc2)c1 4496351 LWGYSMWESITYPY-UHFFFAOYSA-N 393.464 3.638 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(OC)c3)n2C)cc1 4736340 ZYTVUTVJRSZFAA-ZDUSSCGKSA-N 398.488 3.619 0 40 GHAB Cc1cccc2cc(CN(C(=O)c3ccncc3)C3CCCC3)c3nnnn3c12 4877303 COXJNQHWUFYEEJ-UHFFFAOYSA-N 386.459 3.566 0 40 GHAB CN(C)c1ccc(NC(=O)CCCCCn2cnc3ccccc3c2=O)cc1 5266357 XPFAQUOTKKLAOW-UHFFFAOYSA-N 378.476 3.662 0 40 GHAB C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1Cl 5689182 LXIUZOJAQUOPMP-ZDUSSCGKSA-N 398.937 3.609 0 40 GHAB COc1ccc(C2=N/C(=C\c3ccccc3OC(F)F)C(=O)O2)cc1OC 6113818 ORQJMNSQZBIGCY-LCYFTJDESA-N 375.327 3.650 0 40 GHAB OCCn1c(CSc2nnc(-c3ccco3)o2)nc2ccc(Cl)cc21 6365617 ALNDSXJWRKPNJY-UHFFFAOYSA-N 376.825 3.617 0 40 GHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2nn(-c3ccccc3)cc2OC)cc1 6539580 SUNLZGYNKUSIAS-HNNXBMFYSA-N 394.427 3.708 0 40 GHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1 6637104 XASHQGYGCPZFRV-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB CCc1ccc2c(CN3C(=O)N[C@](C)(c4ccc(C)cc4)C3=O)cc(=O)oc2c1 6790825 XBIIWVMQHPECSO-HSZRJFAPSA-N 390.439 3.631 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 7104733 AKQJEAYJVQVGDH-MRXNPFEDSA-N 387.553 3.573 0 40 GHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7313834 IDBNLROHCSAKFG-OAQYLSRUSA-N 379.391 3.838 0 40 GHAB Cc1cc(C)cc(N2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)c1 7615831 DMAPYTIFWNEQIX-HNNXBMFYSA-N 377.400 3.603 0 40 GHAB CC[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1 7647194 IFFVZRLUMQORBG-INIZCTEOSA-N 398.850 3.596 0 40 GHAB CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(C)o2)sc(C)c1C 7778224 CLQLRXJKBBFUIZ-CMDGGOBGSA-N 391.445 3.638 0 40 GHAB Nc1nnc(SCC(=O)N(CCc2ccccc2)Cc2cccs2)s1 8066701 JIFAPAHXMJELGZ-UHFFFAOYSA-N 390.559 3.545 0 40 GHAB COC(=O)[C@@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc2O1 8327098 UMMRBHZVQJSLLI-NRFANRHFSA-N 387.435 3.786 0 40 GHAB C[C@H]1CN(c2ncnc3c2cnn3-c2ccccc2)CCN1[C@@H]1CCC[C@@H](C)C1 10587789 SNIZDVPEJYDTHR-WSTZPKSXSA-N 390.535 3.905 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)s1)C1CC1 11586008 KCYHXIVMTCGHLP-HNNXBMFYSA-N 380.473 3.950 0 40 GHAB Cn1c(=O)c2c(-c3ccccc3Cl)c(NCc3ccccc3)oc2n(C)c1=O 11615578 QMQBFZUCAGRYAO-UHFFFAOYSA-N 395.846 3.763 0 40 GHAB Cc1cc(Br)ccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 11781269 DDRQWEUHPSVARD-UHFFFAOYSA-N 398.260 3.615 0 40 GHAB COc1ccc(OC)c2c1cc(C(=O)N1CCn3cccc3[C@@H]1C(C)C)n2C 12148689 HEHYAGKYHXQFJD-FQEVSTJZSA-N 381.476 3.850 0 40 GHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc21 12180601 HTHDXOWPSBIRDO-UHFFFAOYSA-N 392.908 3.971 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccncc3)C2)c2ccccc12 12527296 SATGGUOTRZMCHW-INIZCTEOSA-N 389.455 3.734 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCc1ccccn1 12632012 MNAAPYMAQHGONW-QGZVFWFLSA-N 394.302 3.502 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1F)NC(c1ccccc1)c1ccccc1 12794937 UPLWQFYUWOIRIA-UHFFFAOYSA-N 397.471 3.895 0 40 GHAB COc1ccc([C@@H]2CCCCCN2Cc2nn3c(=O)cc(C)nc3s2)cc1 12807017 VYMKAGKJBLLDRR-KRWDZBQOSA-N 384.505 3.585 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)Nc3cnc4c(cnn4C(C)C)c3)o2)cc1 12807734 HTRYKMWGPCJKSW-UHFFFAOYSA-N 390.447 3.942 0 40 GHAB O=C1CCCN1c1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 12942559 BOFFGXGLRZPJPQ-UHFFFAOYSA-N 399.299 3.599 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 13689384 KXTJCRFCSDNQLZ-JLHYYAGUSA-N 387.439 3.672 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)n1cnc2ccccc2c1=O 13723756 SCLHCURQLCDBIM-INIZCTEOSA-N 391.349 3.885 0 40 GHAB C/C=C/c1cc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc(OC)c1OC 14017951 ZOMAHLZSHZKMIJ-AATRIKPKSA-N 386.423 3.587 0 40 GHAB CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 14049771 JMUGTZDEBODEGX-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB COc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3Cc3ccccc3)n2)cc1 15675686 FMZRMBOYCVZJRH-FQEVSTJZSA-N 387.443 3.768 0 40 GHAB biogenic,in-vitro COc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCC2)cc1 17911555 JNROTMTWMXGSKV-QFIPXVFZSA-N 382.504 3.644 0 40 GHAB O=c1cc(C[C@H](NCc2cccnc2)c2ccc(F)cc2)nc(C2CCC2)[nH]1 19339690 IDJAGNMYSXUWBK-FQEVSTJZSA-N 378.451 3.645 0 40 GHAB CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc(OC(C)C)c2)CC1 19450828 AJEWUXJDSUUWQO-QHCPKHFHSA-N 381.520 3.958 0 40 GHAB C[C@@H]1Cc2cc(CCC(=O)NCCc3nc4cc(Cl)ccc4[nH]3)ccc2O1 19498133 GXNVEBKSSQURJB-CYBMUJFWSA-N 383.879 3.831 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)cc2n1 19522363 VKQIJCJPFGSKEX-ZIAGYGMSSA-N 392.425 3.983 0 40 GHAB C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(-c2nc[nH]n2)c1 19661621 XPYBPJPHAIZVFZ-NSHDSACASA-N 376.338 3.897 0 40 GHAB Cc1ncsc1C(=O)N1CC[C@@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19704683 CQQFQBWLSIMWRH-CYBMUJFWSA-N 386.452 3.522 0 40 GHAB O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)CN2C(=O)CCc1ccccc1F 19712601 GJBSDEVRUIWELT-LEEZEASISA-N 394.490 3.812 0 40 GHAB CCn1c(SCc2ccc(F)cc2)nc2sc3c(c2c1=O)CCN(C)C3 20357417 LVHXFMFSIIZCCE-UHFFFAOYSA-N 389.521 3.897 0 40 GHAB COc1ccccc1N1CCN(C[C@@H](O)COc2ccccc2C(C)(C)C)CC1 20807281 IISGZJBRCOZSMH-LJQANCHMSA-N 398.547 3.555 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCc3ccccc32)cc1 21278368 SMQVWXPPUSWEOQ-UHFFFAOYSA-N 380.473 3.596 0 40 GHAB Cc1cc(=O)c(C(=O)N2CC[C@H]3CCCC[C@H]3C2)nn1-c1ccccc1Cl 23431727 BXKJJIZGZVKLSU-CVEARBPZSA-N 385.895 3.847 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)N2CC[C@@H](C)Sc3ccccc32)CC1=O 24584973 UITSIKAGNCLSAZ-HZPDHXFCSA-N 396.512 3.966 0 40 GHAB COc1ccc([C@@H](NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C(C)C)cc1 26785868 AGOCDJFPPFUQEK-SFHVURJKSA-N 395.908 3.879 0 40 GHAB C[C@H](NC(=O)CCN1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 28900410 CRRKINLNXSYUDL-SFHVURJKSA-N 379.504 3.605 0 40 GHAB O=C1c2ccccc2-c2nn(C[C@H](O)COCc3cccs3)c3cccc1c23 28917216 WRYYSCSHYQBCDX-AWEZNQCLSA-N 390.464 3.887 0 40 GHAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1csc(-c2ccsc2)n1 30540475 RETKXRPZDYWHJM-QGZVFWFLSA-N 399.541 3.675 0 40 GHAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@H]2C)OCO4)c1O 31430168 HRGWMGTYIRQYMO-NJDIQBRYSA-N 383.444 3.712 0 40 GHAB COc1cccc(C(=O)Nc2c(C)nn(COc3cccc(F)c3)c2C)c1OC 32609838 ZOSFRUFMHUMBQC-UHFFFAOYSA-N 399.422 3.945 0 40 GHAB CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 32744670 VZIYFXPHMGILPN-UHFFFAOYSA-N 399.922 3.671 0 40 GHAB CCc1ccc(-c2noc(CCC(=O)Nc3cccc(NC(C)=O)c3)n2)cc1 32895430 SSNOGUFBPXDNJT-UHFFFAOYSA-N 378.432 3.829 0 40 GHAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc(F)c1C 33740459 SRTMOMATIGHTJK-AUUYWEPGSA-N 392.496 3.774 0 40 GHAB Cc1nc(CSCC(=O)NCc2ccc(OCc3cccnc3)cc2)cs1 36395545 UQYSXLPLMMIPEK-UHFFFAOYSA-N 399.541 3.975 0 40 GHAB COc1ccccc1CN(Cc1csc(-c2ncccn2)n1)C[C@@H]1CCCO1 40153556 NYVHWCCXHPHOTN-SFHVURJKSA-N 396.516 3.790 0 40 GHAB Cc1ccc(Cn2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1 40391876 WCLVGRWKNOCAGJ-UHFFFAOYSA-N 399.429 3.910 0 40 GHAB Cc1cc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)ccc1Br 42646184 HKHAVRYMDQJRFT-ZDUSSCGKSA-N 375.266 3.616 0 40 GHAB CCOc1ccc(C(=O)COC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc1 44214637 WAELGXCOILQBAV-FQEVSTJZSA-N 395.455 3.506 0 40 GHAB COC(=O)c1cc(Cl)c(NC(=O)N(C)Cc2cnc(C)s2)cc1OC 47525994 VJLUMOJLBFJUTD-UHFFFAOYSA-N 383.857 3.564 0 40 GHAB O[C@H](COCc1ccc(Cl)cc1)CSc1nc(-c2ccccc2F)n[nH]1 48333076 SCWBSAZUDBHIAW-CQSZACIVSA-N 393.871 3.934 0 40 GHAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 50025432 NXASRZHIKJXSPY-UHFFFAOYSA-N 377.231 3.615 0 40 GHAB CCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 55648952 CKZSYULBDYKYHP-UHFFFAOYSA-N 390.530 3.899 0 40 GHAB CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 56290916 YOHQCQLHSIPVCG-UHFFFAOYSA-N 399.494 3.994 0 40 GHAB COc1ccc(C2(CNC(=O)c3c(C)[nH]c4ccccc34)CCOCC2)cc1 56452123 AJEUFXWIQOEXBU-UHFFFAOYSA-N 378.472 3.963 0 40 GHAB COc1cc(Cl)ccc1C(=O)OCC(=O)NCCc1ccc(Cl)cc1 64148843 RIKQNAFCOJDGOF-UHFFFAOYSA-N 382.243 3.518 0 40 GHAB COc1cc(OC)c2c(C)c(CC(=O)Nc3cccc4[nH]ccc34)c(=O)oc2c1 72324873 YMKHDIDJNZGRKU-UHFFFAOYSA-N 392.411 3.781 0 40 GHAB biogenic CCn1cc(-c2cc(NCCCc3ccc(OC)c(OC)c3)nc(C)n2)cn1 72373197 PAEDROZQSBFWBT-UHFFFAOYSA-N 381.480 3.730 0 40 GHAB Cn1nccc1C(=O)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72384221 HHFDQKKRMRRRSJ-INIZCTEOSA-N 383.839 3.633 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3nc(-c4ccccn4)cs3)n(C)n2)cc1 72403396 XZQXCSMITWZCIS-UHFFFAOYSA-N 391.456 3.867 0 40 GHAB CSc1cccc(NC(=O)C(=O)NCC[C@H](O)c2cccc3ccccc23)c1 77118564 JVYNNNDBGQKWGO-FQEVSTJZSA-N 394.496 3.740 0 40 GHAB Cc1csc(N(C(=O)c2nnn(-c3cccc4cnccc34)c2C)C2CC2)n1 78877170 SSADKSMEWJQHBR-UHFFFAOYSA-N 390.472 3.698 0 40 GHAB CCOc1cc(OC[C@H]2CCCCN2C(=O)OC(C)(C)C)nc(SC)n1 79439905 LMEIOQDILWMXFD-CYBMUJFWSA-N 383.514 3.766 0 40 GHAB COc1ccc(OC)c2c1CN(C(=O)NCC1CCCCCCC1)C[C@@H]2O 83937355 BSFAHBCGPWKTEP-KRWDZBQOSA-N 376.497 3.623 0 40 GHAB CNc1nc(CNC(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)cs1 95942241 IAIRODUDSULIQR-UHFFFAOYSA-N 384.509 3.875 0 40 GHAB COCCN(Cc1cccnc1)C(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 95993191 VTEPFXZYJZLGEI-HXUWFJFHSA-N 396.535 3.563 0 40 GHAB O=C(Cc1cccs1)N1CC[C@@]2(CCCN(CCOc3ccccc3)C2)C1 96216382 KDUPGDWMGJYEEE-JOCHJYFZSA-N 384.545 3.684 0 40 GHAB COc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3Cl)C2=O)c(OC)c1 101276115 JEGMTTDTOFCEPP-AWEZNQCLSA-N 395.242 3.755 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1Cc1ccccc1 102815451 NRAVWXWEQGTWGT-BGYRXZFFSA-N 388.467 3.557 0 40 GHAB CCc1nccn1[C@H]1CCCN(CC(=O)N(CC)c2nc3ccccc3s2)C1 106215586 WYYDCOFMJJAEFO-INIZCTEOSA-N 397.548 3.745 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1N1CCCC1=O 113949835 KCBSJVHVKHOXCE-UHFFFAOYSA-N 388.489 3.746 0 40 GHAB O=C(c1ccco1)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)s1 211082023 KZPBVLRQCNNUJI-UHFFFAOYSA-N 379.393 3.609 0 40 GHAB O=C(COc1ccccc1F)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219195611 OVSIJYDQRWDIDN-IBGZPJMESA-N 389.448 3.640 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 222586760 PWDMVUSRNZANIT-MRXNPFEDSA-N 388.508 3.531 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 223090367 OCCNYBHJNHDESK-OAQYLSRUSA-N 382.504 3.707 0 40 GHAB COCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223404432 WDGUXRMZGOFCCI-FQEVSTJZSA-N 388.895 3.583 0 40 GHAB Cc1cc(C)c(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)c(C)c1 223577974 QCPUHQOJPWQVHE-UHFFFAOYSA-N 391.880 3.794 0 40 GHAB CN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc2c(c1)CCCC2 223665082 GNTGFPYTIRCJSX-UHFFFAOYSA-N 377.444 3.653 0 40 GHAB Cc1cc(OCC(=O)NCCc2ccc(F)cc2)cc(C)c1Br 224243706 VMALWZAKLWHWHW-UHFFFAOYSA-N 380.257 3.943 0 40 GHAB Cc1ccc(CN(C)C(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 224398177 NDIOHEDRMYMECG-UHFFFAOYSA-N 386.517 3.506 0 40 GHAB COc1ccc(CNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1OC 224529308 PEUHNVJPOVGNLI-UHFFFAOYSA-N 382.504 3.541 0 40 GHAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c(I)c1 225015608 DLINZEZFFYYBEH-UHFFFAOYSA-N 395.196 3.623 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 225347730 URSDWHDTLNUSEV-ZWKOTPCHSA-N 382.504 3.570 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCCSCc2ccco2)c(C)c1 225348456 ONMPJMQXXZHCQD-UHFFFAOYSA-N 378.519 3.985 0 40 GHAB Cc1cc(N2CCC(C)CC2)nc(NC(=S)NCCCc2ccccc2)n1 225966240 WLFALHNMXHSUST-UHFFFAOYSA-N 383.565 3.941 0 40 GHAB COc1ccc2cc(C(=O)Nc3ccc(Br)cc3F)c(=O)oc2c1 226042799 ATFZPTFOCCPGKM-UHFFFAOYSA-N 392.180 3.956 0 40 GHAB COc1ccc(CNC(=O)NC[C@H](OC)c2cc3ccccc3o2)cc1OC 253472652 OCXGQVRVVPWUFM-FQEVSTJZSA-N 384.432 3.637 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(Cc2ccccn2)C2CC2)[C@@H]1c1ccccc1 257251017 JPAUUPLRLKRSID-IRLDBZIGSA-N 377.488 3.572 0 40 GHAB COc1ccc(CN2Cc3c(nc(C)n3C(C)C)C3(CCN(C)CC3)C2)cc1 306141144 VMJFFSCTFHAJRL-UHFFFAOYSA-N 382.552 3.760 0 40 GHAB O=c1/c(=C/c2c[nH]c3ccc(Br)cc23)sc2nc3ccccc3n12 408964047 FJGKBUKYTXNQJY-APSNUPSMSA-N 396.269 3.701 0 40 GHAB O=C(NCc1ccc(-c2ccco2)o1)C(=O)Nc1ccccc1C(F)(F)F 575609797 HDTDLOBCRVGYBR-UHFFFAOYSA-N 378.306 3.813 0 40 GHAB C/C(=C\C(=O)N(CCC(=O)O)C1CCOCC1)c1ccccc1C(F)(F)F 584908399 KKDRWBNCNXLFTG-OUKQBFOZSA-N 385.382 3.591 0 40 GHAB CN1CCCC[C@H](CNC(=O)c2ccc(Sc3ccccc3Cl)nn2)C1 628746530 DCOVGSWEXKAJQR-CQSZACIVSA-N 390.940 3.743 0 40 GHAB Fc1ccc(OC[C@H]2CCCO2)c(-c2ccc(=NCCCn3ccnc3)[nH]c2)c1 629699048 JPXZHGPWZIRXLZ-LJQANCHMSA-N 396.466 3.566 0 40 GHAB CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)C1(C(F)F)CCC1)CC2 632646370 IOISNOBGSDXMPI-MRXNPFEDSA-N 396.503 3.913 0 40 GHAB Cn1cc(-c2ncccc2C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cn1 646782758 PWVUWHRDNBNVGI-GOSISDBHSA-N 398.413 3.891 0 40 GHAB O=C1C[C@H](C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)[C@H]2CCCC[C@@H]2N1 666456818 XDNKPFJNYLOVLY-AABGKKOBSA-N 392.503 3.520 0 40 GHAB Cc1ccc2c(c1)NC(=O)C[C@@H]1CCN(C(=O)c3ccccc3)C[C@@H]1CCO2 1534646256 GGQZBHAXBKRWNK-OALUTQOASA-N 378.472 3.885 0 40 GHAB CC(C)c1ccc([C@H](CO)N(C)S(=O)(=O)c2cccc3cnccc23)cc1 1615055599 OTPZEOWBGSIQBI-FQEVSTJZSA-N 384.501 3.712 0 40 GHAB CCOc1ccccc1-c1cc(C(=O)N(C)c2cc(OC)cc(OC)c2)n[nH]1 1638635366 QUNZHUPPLRSGAI-UHFFFAOYSA-N 381.432 3.769 0 40 GHAB O=C(c1cccc(Cl)c1)N1CC[C@H]2[C@@H](COCCN2c2cccc(F)c2)C1 2037985823 XPDXYGNENTYTCL-UZLBHIALSA-N 388.870 3.847 0 40 GHAB COC(=O)C1=CC[C@]23CC[C@H]([C@@](C)(/C=C/C=C(\C)C(=O)O)OC2=O)[C@@]3(C)CC1 2061000745 KVTRQYUBYLFKCS-MDIGLQQNSA-N 388.460 3.575 0 40 GHAB Cc1nc(C2(NC(=O)CSc3ncccc3Cl)CCCCCC2)no1 53682299 GIJAASNPRDAKLT-UHFFFAOYSA-N 380.901 3.884 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3OC)o2)cc1 929420 LARRXTZMFWXVPT-UHFFFAOYSA-N 386.429 3.737 0 40 GHAB Cc1cccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccoc2C)c1 1361230 KZFMJHJMXQATIB-UHFFFAOYSA-N 382.489 3.859 0 40 GHAB CC(C)N(C(=O)CSc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)C(C)C 1368154 SLTRHIGFCOQXQB-LBPRGKRZSA-N 393.578 3.847 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 79077159 BMONKXAYSKNWIA-CQSZACIVSA-N 384.426 3.795 0 40 GHAB CCCCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 2413285 ADYYPCXEMBFGHJ-OEMYIYORSA-N 389.879 3.750 0 40 GHAB Cn1c(SCCCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccccc1 3445998 LOYMVLKAROHPCS-UHFFFAOYSA-N 392.484 3.651 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1 3598470 FTRZPNVNTSTQRF-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@H](c1cccs1)N1CCOCC1 23485536 ODEBXMQLHLFFRR-MRXNPFEDSA-N 399.343 3.787 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1 6027269 KQMVULPWTVAEEJ-UHFFFAOYSA-N 382.441 3.574 0 40 GHAB O=C(COc1ccccc1C(=O)Nc1ccccc1)NCc1ccc(F)cc1 6231824 CMVKAMUDDLYORN-UHFFFAOYSA-N 378.403 3.773 0 40 GHAB Cc1c(Br)c(C(F)F)nn1CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 6526830 ZDSLWGRHMUNFNY-YWVKMMECSA-N 378.261 3.833 0 40 GHAB O=C(NCc1ccccc1F)c1ccc(NS(=O)(=O)c2cccs2)cc1 10054988 ZGWKWLYSICFZBC-UHFFFAOYSA-N 390.461 3.618 0 40 GHAB Cc1csc(NC(=O)COC(=O)c2cc3cc(Cl)ccc3nc2C)n1 10468707 VAFWJJHJEWMESF-UHFFFAOYSA-N 375.837 3.757 0 40 GHAB COc1cc(C)c(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1OC 12517187 POFFXBCHAQWGIP-UHFFFAOYSA-N 386.467 3.676 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2c(C)cccc2C)c(C)c1 8414413 LXDJWVUSKXDXLY-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2C)n1 8476564 RBOUBHNWAHJNPW-UHFFFAOYSA-N 384.867 3.662 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C 8493718 JCFFTKAHHPBBFB-TYOLEZHBSA-N 378.516 3.928 0 40 GHAB CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cn2)[C@@H]1c1ccc(OC)cc1 24840618 ITXMEMBJJOFTPS-RXVVDRJESA-N 381.476 3.727 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1F)c1ccc(Cl)cc1 8810112 PWOBJBDAOOYEAU-UHFFFAOYSA-N 396.871 3.906 0 40 GHAB O=C(Cc1ccc(Cl)c(Cl)c1)OCCCN1C(=O)c2ccccc2C1=O 24696204 KXWVCUDIPZFJDQ-UHFFFAOYSA-N 392.238 3.765 0 40 GHAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)NCc1ccco1 3219345 RYVDMJLNYZVTOY-UHFFFAOYSA-N 386.407 3.968 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 107440382 JLNFXCUUIFHQIN-FHLIZLRMSA-N 395.459 3.508 0 40 GHAB CC1=C[C@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N2c2ccccc21 9341872 URWWPGYCVYYYMF-ZSYWTGECSA-N 394.515 3.676 0 40 GHAB COc1ncccc1C1(O)C[C@@H]2CC[C@@H](C1)N2C(=O)c1csc2c1CCCC2 100723354 IKAKMQWLEDKZSO-GJZGRUSLSA-N 398.528 3.685 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)NCCSc1ccc(Cl)cc1 57768459 XELUTIZRPFQSJU-UHFFFAOYSA-N 383.922 3.656 0 40 GHAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166401 OLYOTEAWHBBYRY-ROUUACIJSA-N 391.446 3.542 0 40 GHAB O=c1c2c(-c3ccccc3)csc2ncn1C[C@H](O)COc1ccccc1F 12698401 DBNLVPYVSQVONV-HNNXBMFYSA-N 396.443 3.704 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCn1c(C)nc2ccccc21 10037810 HOGYEJOLLLQSDK-UHFFFAOYSA-N 387.487 3.636 0 40 GHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 20047107 IGKUYMLMZHUSGU-UHFFFAOYSA-N 393.487 3.590 0 40 GHAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Nc2cccc(OC3CCCC3)c2)CC1 72273596 SFQULTWYLUBJLS-MRXNPFEDSA-N 388.508 3.610 0 40 GHAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnc(C(C)(C)C)o2)cc1 42568825 CLXIHLYRRHYLMH-UHFFFAOYSA-N 385.493 3.900 0 40 GHAB CC[C@H](C(=O)Nc1cccc(Cl)c1C)n1ncc(-c2ccccc2)nc1=O 44803995 DTCLDDLDCBUWLG-GOSISDBHSA-N 382.851 3.857 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)NCCCn2cccn2)cn1 48239354 QBPKURSPQGDVRZ-UHFFFAOYSA-N 381.436 3.599 0 40 GHAB CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)N=C1c1ccc(Cl)cc1Cl 2242103 KRSNYZFFEXROTB-MKMNVTDBSA-N 375.211 3.982 0 40 GHAB COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1OC 2271276 XXXOANQXASUFDL-NTEUORMPSA-N 388.217 3.811 0 40 GHAB C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(-n2cncn2)cc1 12760898 XLAPRVQCCGQJCJ-ZDUSSCGKSA-N 395.513 3.872 0 40 GHAB CC[C@H](C)NC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12 2375418 XZGUDRSBXOZGLM-ZDUSSCGKSA-N 389.459 3.693 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 58953795 PTLLOJQBOPTYCX-LBPRGKRZSA-N 383.416 3.573 0 40 GHAB COc1ccc(NC(=O)c2ccc(Cn3cnc4sccc4c3=O)cc2)cc1 11322192 YDIUGCALNGZFJU-UHFFFAOYSA-N 391.452 3.767 0 40 GHAB CCCCc1nnc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)s1 29237783 VLEWJLRHQCKTRO-UHFFFAOYSA-N 381.461 3.780 0 40 GHAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(Cl)cc1Cl 12852396 YCMXYKORSXZLJU-SNVBAGLBSA-N 393.274 3.622 0 40 GHAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1Cl 3514263 IIMFFAOFIKTUHU-JTQLQIEISA-N 388.782 3.505 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 12927400 CTEBYNGKEZHVOF-UHFFFAOYSA-N 378.881 3.884 0 40 GHAB COc1ccc(C(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c(O)c1 13003738 QJILURDBDLYMCC-UHFFFAOYSA-N 397.862 3.565 0 40 GHAB CC[C@H](C)c1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1OC 27587930 PQISIOZCIREDCR-AWEZNQCLSA-N 382.570 3.796 0 40 GHAB COc1cccc2c1OC1(CCNCC1)N1N=C(c3ccccc3Cl)C[C@@H]21 5194537 RCQCUBWFGXMTNM-SFHVURJKSA-N 383.879 3.972 0 40 GHAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 4373492 VGJMUOJJCABGCH-FQEVSTJZSA-N 389.459 3.913 0 40 GHAB COc1ccc(Cc2nc(NC(=O)CCCc3c[nH]c4ccccc34)n[nH]2)cc1 96117306 MBKIWCKNERBAOX-UHFFFAOYSA-N 389.459 3.847 0 40 GHAB CCOc1ccccc1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 14077159 OYHYQJJUIXDZFV-UHFFFAOYSA-N 387.789 3.994 0 40 GHAB Cc1cc(-c2cc(C(=O)N3CCOCC3)c3cnn(C(C)C)c3n2)c(C)s1 14022598 GLFWJTRLYIZDOK-UHFFFAOYSA-N 384.505 3.830 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 65578419 DQSGHNVSGCIZPX-UHFFFAOYSA-N 399.454 3.808 0 40 GHAB Cc1cccc(CN2CCC3(CC2)CN(C)C(=O)c2cnc(C(C)(C)C)nc23)c1 306139434 SXAWJZDCXLWSGF-UHFFFAOYSA-N 392.547 3.702 0 40 GHAB COc1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCCC1=O 5440332 ULQHYYAJLVXIAW-UHFFFAOYSA-N 389.249 3.837 0 40 GHAB COc1ccc(-c2n[nH]c(S[C@H](C(=O)N3CCCC3)c3ccccc3)n2)cc1 5505995 BJOLQKXBYOXIAA-SFHVURJKSA-N 394.500 3.936 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC1CCCCC1 6778383 BRLDCBIQASRFHJ-INIZCTEOSA-N 381.314 3.652 0 40 GHAB Clc1ccccc1OCc1ccc(-c2nc3c4cn[nH]c4ncn3n2)cc1 6829341 QGIJFLBIVPXLKV-UHFFFAOYSA-N 376.807 3.900 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)cc1 15018967 QAVVFYIYYVKDDY-UHFFFAOYSA-N 394.456 3.968 0 40 GHAB CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccccc2)CC1 16574940 UDGOEIQZRJAURI-UHFFFAOYSA-N 399.922 3.826 0 40 GHAB Cc1ccc(N(CCCC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1 8040717 IOIANUBRULIFPI-UHFFFAOYSA-N 378.538 3.548 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)NCCSc2ccc(Cl)cc2)cc1 8125188 YNQZSTOGOFFJHP-UHFFFAOYSA-N 397.949 3.721 0 40 GHAB COc1ccccc1-n1c(S[C@@H]2C[C@H](C)OC2=O)nnc1-c1cccs1 8191352 IGORXLBEFZEHLG-XHDPSFHLSA-N 387.486 3.801 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1nc2c(F)cc(F)cc2s1 8230251 WGPIRERPHJVNCZ-UHFFFAOYSA-N 376.384 3.967 0 40 GHAB CCS(=O)(=O)N1CCc2cc(-c3csc(N4CCC[C@H](C)C4)n3)ccc21 71971890 OTKSJMNLIPNDFI-AWEZNQCLSA-N 391.562 3.759 0 40 GHAB COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccccc3)oc12 67293672 OMJNPJQPNNXRDU-KAMJJXHCSA-N 378.428 3.583 0 40 GHAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)C12CC3CC(CC(C3)C1)C2 18079745 XCOHEVDCHHIRND-LRYXAPPNSA-N 384.520 3.853 0 40 GHAB CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@H]2ON1c1ccccc1 18086160 DYGSNVAEYHBMBN-HOJAQTOUSA-N 380.444 3.564 0 40 GHAB O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1ccc2ccccc2c1 18209887 YYKYUBGEQZFUNX-IEBWSBKVSA-N 376.799 3.786 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(F)cc(F)c2)c(C)c1 95349327 CORAYAXVKDBCBY-QGZVFWFLSA-N 376.428 3.735 0 40 GHAB C[C@H](C(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1)N1C(=O)CCC1=O 84037365 JGBCZLLITUCWGB-GFCCVEGCSA-N 390.361 3.848 0 40 GHAB CN(c1cccc(Br)n1)S(=O)(=O)/C=C/c1ccccc1Cl 97095330 MQABMFVHBOCHTL-MDZDMXLPSA-N 387.686 3.934 0 40 GHAB CCc1nc2cc(NC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)ccc2o1 95983034 YTYMMXQFVMQFGQ-ZDUSSCGKSA-N 388.468 3.863 0 40 GHAB CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 409231086 BGZNXCVVLZDPRM-MHWRWJLKSA-N 386.835 3.840 0 40 GHAB O=C(/C=C/c1ccc(SC(F)(F)F)cc1)NCCc1nnc2ccccn12 32903484 RAVNDUIKSNWVRG-RMKNXTFCSA-N 392.406 3.713 0 40 GHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cn(Cc2ccc(Cl)cc2)nn1 66089141 TYPLUNSSBASLMD-UHFFFAOYSA-N 394.784 3.929 0 40 GHAB COC(=O)c1cc(NC(=O)CCc2ccc(OC)c(OC)c2)ccc1Cl 30849777 HHNDVKLEDRZKDF-UHFFFAOYSA-N 377.824 3.715 0 40 GHAB Cn1cccc1[C@@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)N1CCOCC1 38676205 KEAVUAVFMPTMKF-QGZVFWFLSA-N 397.306 3.527 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)O 15953544 UKPUTZQLKIBXPJ-XTZNXHDOSA-N 399.443 3.622 0 40 GHAB biogenic COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 32739795 WORXOROKQDIEFD-JDQXGDOCSA-N 385.416 3.859 0 40 GHAB O=C(NCC1CCN(c2cnccn2)CC1)Nc1cccc(C(F)(F)F)c1 70930767 YKLFCZYVTIDIPK-UHFFFAOYSA-N 379.386 3.534 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1 136690463 NYFJAUGUJCTSDW-BOUXLOLZSA-N 390.439 3.649 0 40 GHAB CC[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 224303326 IBBXQUXMISUKCG-QGZVFWFLSA-N 382.570 3.871 0 40 GHAB Cc1ccc(N(CCCC(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1Cl 224777042 IMCOFYMRTHUMOR-UHFFFAOYSA-N 398.956 3.811 0 40 GHAB CN(C)C(=O)c1ccc(NC(=S)NCCCSCc2ccccc2)cc1 225599142 XLUYFKOMFYBRIX-UHFFFAOYSA-N 387.574 3.998 0 40 GHAB CCOc1ccc(NC(=S)NCc2nc(-c3ccc(OC)cc3)no2)cc1 225823578 DHUHTQKYMHVQAJ-UHFFFAOYSA-N 384.461 3.631 0 40 GHAB O=C(COc1ccccc1F)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200150 WGPHHWOSMLSOLI-SJORKVTESA-N 386.423 3.881 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)cc1 224483427 OZKXVMXUNXTSLV-IBGZPJMESA-N 396.531 3.736 0 40 GHAB O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1cccc(-c2cccc(Cl)c2)c1 585083304 PICTWFLMCHHBGN-KRWDZBQOSA-N 395.933 3.866 0 40 GHAB O=C(O)c1ccccc1-c1ccc(CN2CCCC[C@H]2c2cc(CO)[nH]n2)o1 257271820 MZXSELQRORIUMJ-IBGZPJMESA-N 381.432 3.587 0 40 GHAB CC(=O)NCc1cccc(-c2cccnc2C(=O)N2CCc3ccccc3C2)c1 257296078 RBDPZNXVFYLODR-UHFFFAOYSA-N 385.467 3.583 0 40 GHAB CCc1ccc(S(=O)(=O)N2CCC(CSc3ccccn3)CC2)s1 90608072 VBNYVEFMBCQMKM-UHFFFAOYSA-N 382.576 3.899 0 40 GHAB C[C@H](C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@H]1CCC(=O)N1 624376513 UCRTTZBFIZEUMC-IINYFYTJSA-N 397.422 3.606 0 40 GHAB Cc1cc(Br)c2[nH]nc(NC(=O)[C@@H]3CCC[C@H](N(C)C)C3)c2c1 1149636201 YYOYVUXQCQSODC-NEPJUHHUSA-N 379.302 3.693 0 40 GHAB C[C@](CO)(NC(=O)c1cn(C2CCCC2)c2ncnc(Cl)c12)c1ccccc1 1155888478 AWBSIUVNYGZQQH-OAQYLSRUSA-N 398.894 3.837 0 40 GHAB Cc1cnc(F)c(-c2nc(-c3ccccc3NC(=O)c3ccccn3)no2)c1 1615610614 MAFMVRSOUHNFSS-UHFFFAOYSA-N 375.363 3.893 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2cccnn2)CC1 96102916 BMXHDCWETKYGDR-UHFFFAOYSA-N 398.850 3.777 0 40 GHAB O=C(c1ccnc2ccccc12)N1CCN(c2cccc(Br)c2)CC1 551698583 JKRXSJMMDDBNLA-UHFFFAOYSA-N 396.288 3.960 0 40 GHAB COc1cccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)c1OC 649705 YFAYOLVHZNRCMR-NSIKDUERSA-N 379.746 3.980 0 40 GHAB COc1ccc(-n2cnnc2S[C@@H](C)C(=O)c2ccc(F)c(F)c2)cc1 5689527 CTWQLSBJZFZDKK-NSHDSACASA-N 375.400 3.918 0 40 GHAB O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccncc2)C1)C1CCCC1 12089240 ROSVHNIZALBHPU-OALUTQOASA-N 384.549 3.798 0 40 GHAB COc1ccc([C@@H]2CN(C(=O)C34CC5CC(CC(C5)C3)C4)C[C@H]2C(=O)O)cc1 12181339 IYLDWEAUIYZDPF-ZJJNMPENSA-N 383.488 3.538 0 40 GHAB CC(C)n1cc(C(=O)N2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)cn1 12184460 RXMFTAQWPWVUTF-OAHLLOKOSA-N 388.855 3.503 0 40 GHAB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(C(=O)NC2CC2)cc1 12906367 RQXCMMRDMRSTTK-UHFFFAOYSA-N 379.243 3.903 0 40 GHAB C[C@H](NC(=O)CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 13061337 KNRNBEPTILIRJY-HNNXBMFYSA-N 392.330 3.993 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 14397089 MKENILPWBWFHPF-QFIPXVFZSA-N 382.504 3.818 0 40 GHAB Cc1ccc(OCCNC(=O)c2ccccc2I)c(C)c1 15139639 YHYNFHOQSHCQBV-UHFFFAOYSA-N 395.240 3.717 0 40 GHAB CC(C)c1cc(NC(=O)CSc2nnc(NCc3ccco3)s2)on1 17983669 HSJQLRZSOYVUKR-UHFFFAOYSA-N 379.467 3.585 0 40 GHAB CC[C@H](C(=O)NCc1c(C)nn(-c2ccc(F)cc2)c1C)n1nc(C)cc1C 19499483 CEOGWGUOHHIFTA-HXUWFJFHSA-N 383.471 3.709 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 19943041 QVMUOORWMBRODM-TXEJJXNPSA-N 376.316 3.514 0 40 GHAB COc1cccc(C(=O)Nc2cc(Br)c3nc(N)sc3c2)c1 226310804 BORTWGQISZJREX-UHFFFAOYSA-N 378.251 3.902 0 40 GHAB c1cnn(CCN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)c1 1888928927 HBCGUVFOWAOGPP-UHFFFAOYSA-N 384.487 3.768 0 40 GHAB Cc1noc([C@@H]2CN(C(=O)c3cccc(-n4cccn4)c3)C[C@H]2c2ccccc2)n1 240067979 SGGYPAFZCJISJE-LEWJYISDSA-N 399.454 3.587 0 40 GHAB Cc1ccc(C)c2sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12 4292223 VGQPGIBNAHZFNC-UHFFFAOYSA-N 379.441 3.819 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2C)nc2c([nH]c3ccccc32)c1=O 5106466 RVDFABNFZOCXBH-UHFFFAOYSA-N 392.484 3.937 0 40 GHAB CN(C)CCCN(C(=O)Cc1ccccc1)c1nc2cc3c(cc2s1)OCO3 5122463 IDERLDMZYNXVHW-UHFFFAOYSA-N 397.500 3.552 0 40 GHAB Cc1nc2c(=O)n(CC(=O)N(C)c3ccccc3)nc(-c3cccs3)c2s1 8956049 GOQLQYKARUTMEJ-UHFFFAOYSA-N 396.497 3.553 0 40 GHAB COc1ccccc1NC(=O)N1CCC(CNC(=O)c2cc(C)oc2C)CC1 44004686 IJRCJQWLQAFVBN-UHFFFAOYSA-N 385.464 3.579 0 40 GHAB Cc1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2ccncc2)o1 48987944 NMXAGWASSXIIHL-UHFFFAOYSA-N 393.834 3.814 0 40 GHAB Cc1ccc(CCC(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)cc1F 585408840 KIAAUAJKGOKQMD-OAQYLSRUSA-N 377.463 3.975 0 40 GHAB COC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-c3cccs3)o2)cc1 585367540 PDWVHZOLTQASAO-UHFFFAOYSA-N 392.458 3.665 0 40 GHAB O=C(CSc1ccc2c(c1)CCC2)NCc1ccccc1Cn1ccnc1 40023586 DFVBVCAYHYQPBY-UHFFFAOYSA-N 377.513 3.829 0 40 GHAB COc1ccccc1CN(Cc1csc(-c2ncccn2)n1)C[C@H]1CCCO1 40153557 NYVHWCCXHPHOTN-GOSISDBHSA-N 396.516 3.790 0 40 GHAB COc1ccccc1N1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 51085808 PMYNCGGRSGABDF-SFHVURJKSA-N 380.410 3.570 0 40 GHAB Cc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1S(=O)(=O)N1CCCCCC1 101404582 GKGSNFPWMNNZSY-ROUUACIJSA-N 390.549 3.934 0 40 GHAB CN(Cc1ccsc1)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 32414194 NSMPIENRJVXDCY-ZDUSSCGKSA-N 393.306 3.522 0 40 GHAB COc1cc(/C=C/C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc(Cl)c1OC 32803426 JRZZRFHARKWBBN-ICFOYXHFSA-N 396.270 3.874 0 40 GHAB Cc1ccc(-n2ncc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c3cccs3)c2C)cc1 32827892 UPCNXUOWYWKQOE-HUUCEWRRSA-N 396.516 3.546 0 40 GHAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc2c(=O)n3c(nc2c1)CCC3 32981827 NOXMUNGXIHAFAF-UHFFFAOYSA-N 394.481 3.780 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)CNC(=O)c2ccc(C)s2)cc1 52773081 UWCSHBGNTNSDKW-GOSISDBHSA-N 386.517 3.939 0 40 GHAB Cc1ccc2cc([C@@H]3CC(c4ccco4)=NN3S(C)(=O)=O)c(Cl)nc2c1 644934 ZWNMTGDJVLSHBG-INIZCTEOSA-N 389.864 3.900 0 40 GHAB Cc1ccc(-n2nnnc2-c2cnn(-c3cccc(F)c3)c2C(F)(F)F)cc1 721406 ZGDOXVJVHTYVBL-UHFFFAOYSA-N 388.328 3.981 0 40 GHAB Cc1cccc(-n2nc(-c3ccc4c(c3)NC(=O)CO4)c3ccccc3c2=O)c1 1384192 VMXDRCBSIPSXRO-UHFFFAOYSA-N 383.407 3.692 0 40 GHAB COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(Cl)cc1Cl 2247409 IHXBUPHBLFXUTA-SDBXPKJASA-N 385.272 3.815 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1c1ncccn1 2441045 FDYCEOOAXDZMDM-QGZVFWFLSA-N 389.798 3.986 0 40 GHAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 3481049 KIYAOUWPWVIFBR-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB CCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)s1 4008671 HPHLCRQIWUOJQU-ZDUSSCGKSA-N 387.299 3.872 0 40 GHAB CCCCNC(=O)Oc1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2C)cc1 4106335 KGNVNZHXJFTKKC-CQSZACIVSA-N 381.432 3.563 0 40 GHAB Cc1cc2cc(CN(CCCO)C(=S)Nc3ccccc3)c(=O)[nH]c2cc1C 4127655 JMKZBRSWFIBQMP-UHFFFAOYSA-N 395.528 3.726 0 40 GHAB O=C(Nc1nc(-c2csc(NC(=O)c3ccco3)n2)cs1)c1ccco1 4173508 QZZWMVXIVROEKR-UHFFFAOYSA-N 386.414 3.957 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1ccc(F)cc1 4341536 BASPURZTEUZDEG-UHFFFAOYSA-N 397.410 3.825 0 40 GHAB CN(c1ccc(C(=O)NC2CCCCC2)cc1)S(=O)(=O)c1cccs1 4997975 AFHJHSRXWCACLW-UHFFFAOYSA-N 378.519 3.636 0 40 GHAB CCOC(=O)c1sc(Nc2nc3cc(OC)c(OC)cc3s2)nc1C 5122785 UFDUJVFGNSMMPH-UHFFFAOYSA-N 379.463 3.999 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)ccc1F 5252371 PVRBFFCNPWNZFB-UHFFFAOYSA-N 388.464 3.624 0 40 GHAB O=C1OCC2=C1[C@@H](c1ccccc1)CC(=O)N2c1ccc(Br)cc1 5322343 YOVGTUQCNRGXGH-OAHLLOKOSA-N 384.229 3.781 0 40 GHAB CC(C)CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1 5375283 QYYWJJXBXOYNHE-UHFFFAOYSA-N 378.519 3.874 0 40 GHAB CCc1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C(C)C)cc1 5407364 TYXJTASRDKTIDR-HXUWFJFHSA-N 388.533 3.626 0 40 GHAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H]1CCCc2ccccc21 5430494 KQWCIMAABISHGH-LJQANCHMSA-N 392.528 3.692 0 40 GHAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 6440027 BZKSLFORRVBURZ-IBGZPJMESA-N 390.505 3.513 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 6652416 UQOBWMUJNSVGOG-OXQOHEQNSA-N 386.467 3.744 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccccc1)S2 6812056 UZWCJLFXMGKJOR-IAGOWNOFSA-N 399.907 3.892 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 6887255 GFLVKAAOGYPVQS-ZDUSSCGKSA-N 390.896 3.560 0 40 GHAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Br)cc1 7221848 MJBMJSWJSKLRJI-LLVKDONJSA-N 377.238 3.659 0 40 GHAB CN1CCCN(C(=O)Cc2c(F)cccc2Cl)c2nc3ccccc3nc21 8061607 PAYDDCOXKSNZOH-UHFFFAOYSA-N 384.842 3.838 0 40 GHAB Cc1ccccc1NC(=O)Cc1nc(-c2c[nH]c(C(=O)N3CCCC3)c2)cs1 8075991 GISFCJCXZHBTFH-UHFFFAOYSA-N 394.500 3.864 0 40 GHAB COC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCN(C)C2 8204865 MBDNAHXBIOKIHQ-BQYQJAHWSA-N 390.892 3.828 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1 8316474 LLUBSBSCIKPKJM-UHFFFAOYSA-N 396.443 3.970 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2cc(C)c(C)cc2C)cc1 8626040 QGFSUGJQOGZEPZ-UHFFFAOYSA-N 388.485 3.510 0 40 GHAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccn3)c3ccccc3)cc2c1 8762769 WQDUWTUWTNCQNV-UHFFFAOYSA-N 385.423 3.779 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(Cl)c2)cc1 9237291 VXLSSHPEVGEHKP-SJORKVTESA-N 399.907 3.946 0 40 GHAB O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccccn1 9614152 LEVCLPMVTWLHMU-UHFFFAOYSA-N 393.896 3.552 0 40 GHAB CCn1c(SCC(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1C1CC1 9835446 VLINJOXMWPFSAP-UHFFFAOYSA-N 384.461 3.855 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccc(SC(F)F)cc2)cc(C(=O)OC)c1 10367884 SFGCXJJQNZFIOP-UHFFFAOYSA-N 395.383 3.827 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1ccccc1N1CCOCC1 10900779 MDHHGQGWEZBDSD-UHFFFAOYSA-N 388.895 3.522 0 40 GHAB COc1ccc(-c2cc(COC(=O)C(=O)c3c[nH]c4ccccc34)no2)cc1 11613676 FCGUVUIKHHMVBS-UHFFFAOYSA-N 376.368 3.758 0 40 GHAB Cc1ccnc(Nc2ccc(NCCNC(=O)CCC3CCCCC3)nn2)c1 11696716 OAPYYEGKAHGONK-UHFFFAOYSA-N 382.512 3.812 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc4ccccc4n3)n2)o1 12051937 VXWKNOSDCOPPPI-UHFFFAOYSA-N 392.440 3.840 0 40 GHAB Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 12406961 HDVLIIDIBNEQBC-GOEBONIOSA-N 399.445 3.880 0 40 GHAB COc1ncc(CN2[C@H](COc3cccc(C(F)(F)F)c3)[C@H]3CC[C@@H]2C3)cn1 12408040 DRDUKHPRXXCAAB-YXJHDRRASA-N 393.409 3.936 0 40 GHAB CC(=O)c1ccc(N2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)cc1 12629461 SSEBROVOKQIZBM-UHFFFAOYSA-N 383.521 3.618 0 40 GHAB C[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1cccc(Cl)c1 12806055 ZJGHPTNILXBGLK-CYBMUJFWSA-N 392.908 3.543 0 40 GHAB CCOc1ccc(NC(=O)CCC(C)C)cc1S(=O)(=O)N1CCCCC1 12809530 ANXMBPLCIZCVPL-UHFFFAOYSA-N 382.526 3.635 0 40 GHAB COc1cc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)c(OC)cc1Cl 12823923 SKLJWHDBEKAHKT-ZDUSSCGKSA-N 388.851 3.887 0 40 GHAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 12906834 DMRDPPPOBIJKKT-NSHDSACASA-N 399.497 3.564 0 40 GHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 12909261 JIOZZJAPSQYBGL-OAHLLOKOSA-N 380.366 3.687 0 40 GHAB Cc1cccc(-c2nnc(S)n2CCC(=O)NCc2ccccc2Cl)c1 12999826 QVQRQMPMMMWEEQ-UHFFFAOYSA-N 386.908 3.902 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CN(C)CCOc3ccc(Cl)cc3)n2)cc1 15449746 BPRHAUKGGQPTTL-UHFFFAOYSA-N 398.898 3.670 0 40 GHAB Fc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccc3)no2)cc1 15675518 DPOHSTAAASXCFE-IBGZPJMESA-N 375.407 3.898 0 40 GHAB biogenic,in-vitro Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)CC(C)(C)C)on1 19121774 ZZMLUVIQXGRPGD-MRXNPFEDSA-N 385.512 3.996 0 40 GHAB Cc1ccc(CN2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)cc1C 19213932 WTMKQNWXZNEUSL-HXUWFJFHSA-N 377.536 3.599 0 40 GHAB O=C(NCC1(c2ccccc2F)CCOCC1)c1cccc(Cn2cccn2)c1 19347975 CYZQIMYJDONFFC-UHFFFAOYSA-N 393.462 3.549 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)[C@@H]2C[C@@H]2C)C1 19462996 AKSHJIBAXMRDCN-QUZZAMIASA-N 396.556 3.968 0 40 GHAB CCc1ncc(CN2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cn1 19523408 YYUVSKBWCHGGID-HNNXBMFYSA-N 390.413 3.746 0 40 GHAB O=C(Nc1ccc(Br)cc1F)c1cnc(-c2ccccc2)[nH]c1=O 19937240 XMVOBNPVAMXMIH-UHFFFAOYSA-N 388.196 3.591 0 40 GHAB CCSc1ccccc1NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 20048176 TWTMLQVQLUULFX-UHFFFAOYSA-N 392.546 3.820 0 40 GHAB O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1ccc(Br)o1 20611328 BPSDQVNDSYEVGX-UHFFFAOYSA-N 379.239 3.705 0 40 GHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1CCc2c([nH]c3ccc(F)cc23)C1 20760554 ZOKPJVYGNVPQEX-FQEVSTJZSA-N 382.391 3.552 0 40 GHAB biogenic Fc1ccc(-c2nnc(CN3CCN(Cc4cccc(Cl)c4)CC3)o2)cc1 22018975 RGGNFUFWUKVGCB-UHFFFAOYSA-N 386.858 3.847 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)c(C)c2)CC1 22067951 DILLVJILLSKODL-UHFFFAOYSA-N 394.519 3.545 0 40 GHAB COc1ccc2nc(C)c(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2c1 22229622 CBVWUHIIOVFTRE-UHFFFAOYSA-N 375.428 3.696 0 40 GHAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)CCO2 25340037 MJSHAKDDHNQDLJ-UHFFFAOYSA-N 385.773 3.531 0 40 GHAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1 25985707 ZXOAOAOJPAWEQO-UHFFFAOYSA-N 396.468 3.698 0 40 GHAB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)ccc21 26327440 CKMVYDUHIZFLLM-FQEVSTJZSA-N 399.516 3.567 0 40 GHAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1Br 27977885 KNOVXJNAABBTML-AWEZNQCLSA-N 378.222 3.974 0 40 GHAB CCCCOc1ccccc1[C@@H]1CC(O)=Nc2c1c(C)nn2-c1ccc(O)nn1 31818186 IRYMQEDGXANAKX-HNNXBMFYSA-N 393.447 3.979 0 40 GHAB CCCc1ccc(N2C[C@@H](C(=O)N(Cc3cccnc3)C3CC3)CC2=O)cc1 31900016 VXAWKFDFMSTMRS-IBGZPJMESA-N 377.488 3.578 0 40 GHAB COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2ccc(C)cc2)cc1 32096773 NXEQPBDKRLKYRJ-SFHVURJKSA-N 390.443 3.698 0 40 GHAB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@](O)(C(F)(F)F)C2)cc1 32100948 YCKBLMLXIXUGEG-KRWDZBQOSA-N 398.768 3.850 0 40 GHAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1ccccc1)N2c1ccc(Cl)cc1 32640577 VPYAXLIUALVDPY-DLBZAZTESA-N 392.933 3.615 0 40 GHAB O=C(CSc1nncc2c1[nH]c1ccc(F)cc12)NCCc1ccccc1 32752896 KXTPOGJHJJJJPW-UHFFFAOYSA-N 380.448 3.701 0 40 GHAB Cc1ccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)n2)c(Cl)c1 36708096 RIIJZAXWKSDCKA-UHFFFAOYSA-N 388.903 3.581 0 40 GHAB Cc1ccc(-n2nnc(C(=O)NCc3ccc(F)cc3)c2-c2cccnc2)cc1 38487477 PEHCFNYJXRWWSY-UHFFFAOYSA-N 387.418 3.707 0 40 GHAB Cc1ccccc1-n1nc(-c2nc(-c3ccncc3)no2)c2ccccc2c1=O 38652087 KCMGPZJJQGGKIS-UHFFFAOYSA-N 381.395 3.806 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc(-n2cc[nH]c2=O)c1 40155100 SLFXTMYSZUQNLW-UHFFFAOYSA-N 394.431 3.989 0 40 GHAB Cc1ccccc1OCc1nc(-c2ccccc2OCC(=O)NC(C)C)no1 40488370 UDAXOPZSRTUJRQ-UHFFFAOYSA-N 381.432 3.527 0 40 GHAB COc1ccc2[nH]cc(C3=CCN(CC(=O)NCc4cccs4)CC3)c2c1 47257244 JJAIGADVWHOSHX-UHFFFAOYSA-N 381.501 3.644 0 40 GHAB Fc1ccc(Cl)c(-c2nnc3sc(-c4n[nH]cc4Br)nn23)c1 49550178 LLQWNIJIQQPXPY-UHFFFAOYSA-N 399.636 3.798 0 40 GHAB COc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 57416580 HPISESPLBUSHGQ-GXTWGEPZSA-N 390.842 3.718 0 40 GHAB Cc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)c(C)n1Cc1ccccc1 60921566 ZKCRMMZPQSHBBG-LJQANCHMSA-N 376.456 3.723 0 40 GHAB CCN(CC)[C@@H]1Oc2cc3c(cc2[C@@H](c2cccc(OC)c2O)[C@H]1C)OCO3 61887426 WPDLZCMMCBSTQN-IIYZAJTGSA-N 385.460 3.958 0 40 GHAB O=C(NCc1ccc(Cl)cc1)c1nc(-c2nc(-c3cccnc3)no2)cs1 65230589 FHDBRBWANHMXKA-UHFFFAOYSA-N 397.847 3.839 0 40 GHAB C[C@@H](C(=O)NCc1ccccc1Cl)n1c(S)nnc1-c1cccs1 65564688 VCPSRUVEKHJJPJ-JTQLQIEISA-N 378.910 3.826 0 40 GHAB CN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 65641269 NPSQOITYMAWLSS-OAHLLOKOSA-N 388.389 3.631 0 40 GHAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 72076203 PBAMSKSDOCMNAR-DLBZAZTESA-N 379.382 3.551 0 40 GHAB Nc1nnc(S[C@@H](C(=O)Nc2ccc(F)c(F)c2)c2ccccc2)s1 72333683 CBBVFYFNEONDPS-CYBMUJFWSA-N 378.429 3.871 0 40 GHAB O=C(c1ccccc1F)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 72334942 UGSIFFSWMWLWOG-AWEZNQCLSA-N 383.448 3.588 0 40 GHAB CCn1ccc(C(=O)N2CCC(c3cncc(Oc4cccc(F)c4)n3)CC2)n1 72362974 SFLSLCZDIGQXSL-UHFFFAOYSA-N 395.438 3.644 0 40 GHAB COc1ccccc1CN1CCC[C@@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 72398551 AOBDGEUISKTNJI-KNQAVFIVSA-N 379.504 3.570 0 40 GHAB CC(C)Cc1cc(-c2nnc3sc(-c4ccc(F)c(F)c4F)nn23)n(C)n1 72403695 NDXGTCDQVMAPRC-UHFFFAOYSA-N 392.410 3.869 0 40 GHAB COC(=O)c1sc(NC(=O)C[C@H]2OCCc3ccccc32)nc1C(C)(C)C 78971802 CJBBNFYJEKXGDG-CQSZACIVSA-N 388.489 3.870 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1N1CCOC1=O 84068107 ZJVBKAJOVKCYKD-UHFFFAOYSA-N 375.428 3.989 0 40 GHAB O=C(NCCCN1c2ccccc2Sc2ccccc21)N1CCC[C@@H](O)C1 84582927 QBVPZTIVINZVFZ-MRXNPFEDSA-N 383.517 3.846 0 40 GHAB CC(C)N(C(=O)COC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 95944191 NBIFYHYCBXJWGE-UHFFFAOYSA-N 376.497 3.844 0 40 GHAB COCCN(C)c1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2C)nc1 95966954 CLLVCCRJXXRMOK-UHFFFAOYSA-N 399.882 3.564 0 40 GHAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](CN5CC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 96903550 CJUKMDBJDPZAEN-RTSZYFAMSA-N 385.548 3.992 0 40 GHAB Cc1csc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@H]3C2(C)C)n1 100265499 KKCFDHCVDVUNCB-BMLIUANNSA-N 375.523 3.542 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C(c2ccccc2)=NN3c2ccccc2)cc1 100739661 AZEUNCWIFNZFJC-UNMCSNQZSA-N 381.435 3.778 0 40 GHAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1OC 102604026 DCEAFKNXEHAHEO-RNODOKPDSA-N 392.415 3.954 0 40 GHAB CCn1c(S)nc2cc(C(=O)N[C@H]3CCc4cc(Cl)ccc43)ccc2c1=O 103469615 TYTLWBVVYQIERK-INIZCTEOSA-N 399.903 3.776 0 40 GHAB CCCOc1ccc(CCC(=O)NC[C@@H]2CCCN(c3nccs3)C2)cc1 206832356 RXWAKZFNKWGKST-SFHVURJKSA-N 387.549 3.897 0 40 GHAB CC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(OC)c(OC)c1 219216269 YCHCJQILFHUFCS-SFHVURJKSA-N 382.460 3.712 0 40 GHAB Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1N(C)S(C)(=O)=O 222475994 UOKSCRVKMKZLIU-UHFFFAOYSA-N 386.395 3.662 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 222967275 ASAZWATUTSARGT-FQEVSTJZSA-N 384.545 3.949 0 40 GHAB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)ccc1N1CCCC1=O 223212117 WHIYSUMVOCKBHG-INIZCTEOSA-N 398.528 3.650 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3OC(C)C)ccc21 223335518 RTTWILMDRRROEJ-UHFFFAOYSA-N 388.489 3.574 0 40 GHAB Cc1ccc(C(=O)NC(C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224313557 QDDLHVSLWBGLQB-UHFFFAOYSA-N 380.897 3.612 0 40 GHAB COc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(N)cc2)cc1 225312470 PQICDLBHFXULOM-UHFFFAOYSA-N 382.485 3.981 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1 225454349 FIMPYKHFRMARBC-WOJBJXKFSA-N 396.531 3.748 0 40 GHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 225673668 UKPJEMARIUFXKC-SFHVURJKSA-N 393.531 3.723 0 40 GHAB Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)cc1 225690100 VRTKMCRWPYPNPM-SFHVURJKSA-N 384.495 3.866 0 40 GHAB O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)NC2CCCCCCC2)CC1 238881751 BFVNEEMAGMIKIC-IYARVYRRSA-N 396.535 3.827 0 40 GHAB COCC(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2ccccn2)CC1 257210311 BUBKWXYXZJDFTQ-QAQDUYKDSA-N 382.508 3.698 0 40 GHAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ncccn1)[C@H]2Cc1ccccc1 257282643 OUPWEONVOHWKMZ-ROLQDKDTSA-N 390.531 3.565 0 40 GHAB COc1ccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1C 257327378 XBCFNOYBBOKJMG-LYHRCORUSA-N 381.520 3.564 0 40 GHAB CCOc1cc2c(cc1[C@@H]1[C@H](c3ccccn3)N=C3S[C@H](C)CN31)OCO2 260763096 IMKDNGBJKYEXHD-ZUSMLRIVSA-N 383.473 3.798 0 40 GHAB O=C(c1cccs1)N1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306141991 WLWMUUTWROGPQV-QGZVFWFLSA-N 389.484 3.873 0 40 GHAB CCCCc1nnc(SCC(=O)Nc2ccc(Br)cc2)n1C 408560968 ROPKDBVFBNPEJT-UHFFFAOYSA-N 383.315 3.651 0 40 GHAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cccnc1 408737185 LSMPIMXAQABCQM-QFIPXVFZSA-N 387.483 3.993 0 40 GHAB CC(=O)Oc1ccccc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O 409194947 REPGYVYXYZXOCQ-GDNBJRDFSA-N 386.201 3.719 0 40 GHAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]21)c1ccccc1 409371449 FYMNANGCMFQPQJ-QCFAMHMHSA-N 385.419 3.780 0 40 GHAB COCCn1ccc2c(NC(=O)NCCc3ccc(OC)c(OC)c3)cccc21 524735341 UNJHLGQVJNMKKC-UHFFFAOYSA-N 397.475 3.669 0 40 GHAB CC1(C)CN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)[C@@H]1c1cccnc1 563511717 NUGFWZZSWLJIAX-MRXNPFEDSA-N 393.896 3.754 0 40 GHAB COc1ccc(CCC(=O)NC[C@H](c2cccs2)n2nc(C)cc2C)cc1 575610470 NOODNFYMRALKFA-LJQANCHMSA-N 383.517 3.908 0 40 GHAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(Oc2ccsc2)CC1 575621262 ZOVBLIZUGMXUQW-UHFFFAOYSA-N 391.436 3.999 0 40 GHAB O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)C1(CF)CCOCC1 584701465 UEKDIVZPZQZOIO-OAHLLOKOSA-N 375.469 3.711 0 40 GHAB C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)CC[C@@H]1Oc1cccc(Cl)c1 585262245 SSFYJIAYCUVFRG-ICSRJNTNSA-N 394.298 3.967 0 40 GHAB C[C@H](Oc1cccnc1NC(=O)N1CCCc2c(cnn2C)C1)c1ccccc1 669279534 SZMOUUWKRVECJY-INIZCTEOSA-N 391.475 3.935 0 40 GHAB O=C1C[C@@H]2CCN(CCCc3ccccc3)C[C@@H]2CCOc2ncccc2N1 1534646379 IQQQQWZACDALBF-PMACEKPBSA-N 379.504 3.764 0 40 GHAB Cc1ccc([C@H]2CN(Cc3ccc(-c4ccccc4C(=O)O)o3)CCO2)nc1 1848353715 FXCJIFMVHOZWAS-OAQYLSRUSA-N 378.428 3.922 0 40 GHAB COC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1cccc(Cl)c1 882762 WEHOANVSCSGECX-UHFFFAOYSA-N 375.837 3.558 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 905224 BWHUJGDRSRANIZ-MRXNPFEDSA-N 393.516 3.822 0 40 GHAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)c3ccco3)cc2c1 1359537 JJWOSWPNAOMTIB-SFHVURJKSA-N 380.444 3.559 0 40 GHAB CCN(CC)C(=S)S[C@@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O 1465931 DHXHSOCQYKJUHK-OAHLLOKOSA-N 382.526 3.707 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(C)cc2C)cc(OC)c1OC 1993332 ASKDQEAZQCKRIM-VQHVLOKHSA-N 399.443 3.524 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(C[C@@H]1CCCO1)C3=O 2402696 UDEGRIFFFUISSP-JXFKEZNVSA-N 375.424 3.826 0 40 GHAB CCCCc1ccc(NC(=O)CN2C(=O)[C@H](CC)S[C@@H](CC)C2=O)cc1 2711040 ZTEBLEUUXGUCHM-IRXDYDNUSA-N 376.522 3.627 0 40 GHAB COc1cc(NC(=O)c2ccc(I)cc2)cc(OC)c1 3093784 DZRCIAOAKVDLRB-UHFFFAOYSA-N 383.185 3.561 0 40 GHAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccn3)c3ccccc3C(=O)N2C)cc1 3657660 AXOLPJNJXJQFIO-LEWJYISDSA-N 387.439 3.639 0 40 GHAB CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21 3872144 AJLFOPYRIVGYMJ-AHTFPZQXSA-N 390.520 3.950 0 40 GHAB CC(C)CC(=O)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 4078169 PVYGZKABUOZUPJ-UHFFFAOYSA-N 390.534 3.594 0 40 GHAB Cc1cccc(NC(=S)N(CCCO)Cc2cc3cc(C)ccc3[nH]c2=O)c1 4128293 XTCXPMUHNQAKMU-UHFFFAOYSA-N 395.528 3.726 0 40 GHAB COc1ccc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)cc1 4326657 HHBWJOJERBPSNC-UHFFFAOYSA-N 397.485 3.592 0 40 GHAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1 4433284 OKECDUIRUYIDAT-UHFFFAOYSA-N 394.431 3.665 0 40 GHAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1 4454458 MRSZFNWONHQJJN-KRWDZBQOSA-N 380.444 3.670 0 40 GHAB COC(=O)c1c(NC(=O)CSC2=NCCS2)sc2c1CCCCCC2 4753817 XYZRMIBTDZFTJU-UHFFFAOYSA-N 398.575 3.968 0 40 GHAB COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1OC 4998129 ABAIIXVRUPKJPS-LLVKDONJSA-N 387.823 3.898 0 40 GHAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCc3ccccn3)ccc12 5272192 BDYXHFWGLDXODI-HNNXBMFYSA-N 380.444 3.533 0 40 GHAB CCOC(=O)C1(c2ccccc2)CCN(CCOc2ccccc2OC)CC1 5325200 XGTQISAFDRHZDY-UHFFFAOYSA-N 383.488 3.671 0 40 GHAB COc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1 5625671 XBGLTYDDFRFOPI-UHFFFAOYSA-N 399.450 3.774 0 40 GHAB Cc1cc(Cl)cc2c1NC(=O)[C@]2(O)CC(=O)c1ccc(Br)cc1 5722341 CIMUGHIYCUFSOP-KRWDZBQOSA-N 394.652 3.824 0 40 GHAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(C)c(Br)c1 6064248 WERCKYPKSIBGMU-UHFFFAOYSA-N 377.238 3.733 0 40 GHAB O=C(CCOc1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6495993 VOHDSBBDWYZODQ-UHFFFAOYSA-N 382.441 3.989 0 40 GHAB COC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 6831979 WPUHLYMEDISBMG-AWEZNQCLSA-N 383.473 3.905 0 40 GHAB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=S)N[C@H]1c1cccc(F)c1 7551741 PSWNSYQSRMYPOV-SFHVURJKSA-N 386.448 3.717 0 40 GHAB COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)c(OC)c1 7623192 LQOSTOAGBQNHNC-NSHDSACASA-N 393.823 3.550 0 40 GHAB CCOC(CNC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)OCC 7652001 AFWSVFUBCVLRIK-UHFFFAOYSA-N 385.489 3.730 0 40 GHAB CCc1ccccc1N1C[C@@H](C(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)CC1=O 7737064 YVIBGPNTAACVID-BBRMVZONSA-N 382.426 3.791 0 40 GHAB O=C(CNC(=O)c1ccccc1F)NCc1ccc(-c2ccc(Cl)cc2)o1 7898932 NRKPOKPGCHKEHC-UHFFFAOYSA-N 386.810 3.785 0 40 GHAB CN(Cc1cccs1)C(=O)CSc1ncnc2c1cnn2-c1ccccc1 8133689 APUATWXJQWENER-UHFFFAOYSA-N 395.513 3.628 0 40 GHAB CCCOc1cccc(C(=O)NCCCNC(=O)c2cc3ccccc3[nH]2)c1 8404322 UYQVCZGJBJFLLJ-UHFFFAOYSA-N 379.460 3.507 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CCCN(C)S(=O)(=O)c1cccs1 8751060 WPTYYVVWZBTJAY-UHFFFAOYSA-N 386.926 3.749 0 40 GHAB O=C(Cc1csc(N2CCCC2=O)n1)N[C@H](c1ccccc1)c1cccs1 8774455 YTLQJGRTRPHUNL-LJQANCHMSA-N 397.525 3.780 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)NC[C@@H]2OCCc3ccccc32)cc1Cl 8990270 OOPOROKAEJIFKJ-IBGZPJMESA-N 386.879 3.797 0 40 GHAB CCOc1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 9039516 VTXVMCWCIISADK-MRXNPFEDSA-N 397.475 3.659 0 40 GHAB O=C(COCC(=O)Nc1cccc(C(F)(F)F)c1)NCCC1=CCCCC1 9355356 RURNHSUSIPTLOD-UHFFFAOYSA-N 384.398 3.667 0 40 GHAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccco1 9566766 ZVLJFCXAQHOXHT-HUUCEWRRSA-N 376.526 3.981 0 40 GHAB CCOc1ccc(-c2nn3c(COc4ccc(OC)cc4)nnc3s2)cc1 10312300 OIKDIABHEDSHSW-UHFFFAOYSA-N 382.445 3.839 0 40 GHAB O=C(CCNC(=O)c1ccsc1)Nc1ccc(-c2cn3ccccc3n2)cc1 10322121 UBZANNDVFBWKBN-UHFFFAOYSA-N 390.468 3.821 0 40 GHAB Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 11417804 BHLJKWPGNIXHGY-AWEZNQCLSA-N 399.878 3.532 0 40 GHAB O=C(NCc1cccnc1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134117 HPDWJPUWYUPQDQ-UHFFFAOYSA-N 387.483 3.799 0 40 GHAB Cc1cc(C)n2nc(C(=O)NCCCN3CCCc4ccccc43)c(Cl)c2n1 12148395 QNWYJFZXODMWFS-UHFFFAOYSA-N 397.910 3.572 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4ccncc4)C3)cc2N1 12182459 MSAKNRHVKQFYBI-IIAWOOMASA-N 393.413 3.605 0 40 GHAB Cc1cc2oc(C(=O)N3CCC(O)(c4ccccc4C)CC3)cc(=O)c2cc1C 12290332 FYBPXRPXPXJOPD-UHFFFAOYSA-N 391.467 3.842 0 40 GHAB OC1(c2ccccc2F)CCN(Cc2cccc(Oc3ncccn3)c2)CC1 12363534 VZQVXIFRVANCTR-UHFFFAOYSA-N 379.435 3.892 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCSc1ccc(C)cc1 12854319 DZFWDWQYQPHVKF-UHFFFAOYSA-N 389.473 3.920 0 40 GHAB COc1ccccc1CN(C)C(=O)CCn1c(-c2ccc(C)cc2)n[nH]c1=S 12855296 FGMOYRITIDNACU-UHFFFAOYSA-N 396.516 3.973 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(Br)s2)cc1 12876455 RZEGYAHRILPFMP-LLVKDONJSA-N 383.311 3.978 0 40 GHAB COc1ccc(C)cc1-c1csc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)n1 12902750 MIVTXEFHOIVXJA-SFHVURJKSA-N 394.452 3.847 0 40 GHAB COc1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)c(OC)c1 12982268 FVPLASVPUAGJJG-UHFFFAOYSA-N 384.461 3.572 0 40 GHAB O=C(c1occc1COc1ccccc1)N1CCN(Cc2ccccc2)CC1 12997152 ISLJSEUEECOANH-UHFFFAOYSA-N 376.456 3.817 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc2ccccc2oc1=O 13006050 CUDVDCWHXVMGKR-UHFFFAOYSA-N 378.428 3.592 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2C)cc1 13677367 WFZWRWLVDWRCKK-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714111 DKMIOMPHJBRJTR-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB CCN(Cc1cc(Cl)c2c(c1)OCCCO2)Cc1nc2ccccc2c(=O)[nH]1 14019608 MLWCCIAPDRSKTH-UHFFFAOYSA-N 399.878 3.760 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 14229999 BUQFCGJBRBZGRC-HNNXBMFYSA-N 381.906 3.710 0 40 GHAB CCN(CC)CCn1c(NC(=O)Cc2ccc(OC)cc2)nc2ccccc21 14651434 LPXOALPUSANHJG-UHFFFAOYSA-N 380.492 3.568 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(-c2ccc(S(C)(=O)=O)nn2)c1)c1ccccc1 15880796 QXSPYWUPDWCPJZ-GOSISDBHSA-N 395.484 3.679 0 40 GHAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccccc1N1CCCCC1 16962978 RHNHHUVBOGVFPT-UHFFFAOYSA-N 393.487 3.821 0 40 GHAB O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cccc2ccccc12 18223103 FHHNFGWYSWRMHJ-NRFANRHFSA-N 383.451 3.785 0 40 GHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)C(C)C)C1 19085413 TVHGGADZEXCILM-JOCHJYFZSA-N 384.545 3.968 0 40 GHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@H]3CC=CCC3)CC1)N2 19128524 GFACYURBFMJTSZ-YESZJQIVSA-N 378.467 3.777 0 40 GHAB Cc1ccn(CCC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2Cl)n1 19238099 OGRBQKKHZYJVFN-IBGZPJMESA-N 397.910 3.674 0 40 GHAB Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C 19714481 YPMKIBKDFMCURJ-NSHDSACASA-N 386.496 3.969 0 40 GHAB COC(=O)c1c(C)nc2ccn(-c3nccs3)c(=O)c2c1-c1ccccc1 19962853 NJEONFLDLBXTSI-UHFFFAOYSA-N 377.425 3.604 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1 20012745 KSAVNGKFUNVASK-OAHLLOKOSA-N 375.428 3.637 0 40 GHAB Cn1c(SCc2cccc3nsnc23)nc2sc3c(c2c1=O)CCC3 20427416 AZAGYNMNAUIYHF-UHFFFAOYSA-N 386.527 3.781 0 40 GHAB CC[C@@H](C)Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 20443028 CGHFZVZVNNGGGV-GFCCVEGCSA-N 383.521 3.775 0 40 GHAB Cc1cn2c(=O)cc(COc3ccccc3NC(=O)c3cccs3)nc2s1 21369094 XDVKOYBJKDCSLI-UHFFFAOYSA-N 397.481 3.957 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1Br 22453393 OTCAXVBJTLBINT-MRXNPFEDSA-N 396.306 3.814 0 40 GHAB CC(=O)c1ccc(-n2cccc2CN(CCN(C)C)Cc2ccccn2)cc1 22913990 GUPJEGHSYPVKBJ-UHFFFAOYSA-N 376.504 3.639 0 40 GHAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCCN1C(=O)c2ccccc2C1=O 23504542 QLHQQBOYOKKVKP-CYBMUJFWSA-N 386.398 3.561 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)s1 27400283 FAVKBJDIFVFYCG-INIZCTEOSA-N 392.546 3.713 0 40 GHAB C[C@H](Sc1nc2ncccn2n1)C(=O)N[C@@H](C)c1cccc2ccccc12 28513684 PPVYLLUMFJIFAD-KBPBESRZSA-N 377.473 3.636 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 30332467 AHERABSPVRAUND-UHFFFAOYSA-N 388.533 3.521 0 40 GHAB CCOCc1ccccc1CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 30519155 NXDYGINNUPBGKT-UHFFFAOYSA-N 389.395 3.600 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 32739793 WORXOROKQDIEFD-SKVWCYETSA-N 385.416 3.859 0 40 GHAB O=C(c1cccs1)N1CCC(C(=O)N(Cc2ccccc2F)C2CC2)CC1 32741319 OXWUBHBKMAXZFJ-UHFFFAOYSA-N 386.492 3.931 0 40 GHAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1cccc(CN(C)C)c1 32752983 MMSGYWRTWNXZFO-AWEZNQCLSA-N 391.309 3.594 0 40 GHAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1)O[C@@H](C)C2 32870481 ZKDAJTJWFPEPLG-KBPBESRZSA-N 397.475 3.806 0 40 GHAB O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(CN2CCCC2=O)c1 32908579 QTLKMAOGJQIJAZ-UHFFFAOYSA-N 378.350 3.960 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1C 32910803 HNHYKMCHPNKOOP-MRXNPFEDSA-N 378.428 3.601 0 40 GHAB CCn1c(SCC(=O)c2ccc3c(c2)CCN3C=O)nnc1-c1cccs1 32931566 GRGJPRBEJSJERY-UHFFFAOYSA-N 398.513 3.520 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)c1ccc[nH]1)CC2 35355448 DFDOSDXVCVKNKL-OAQYLSRUSA-N 382.485 3.924 0 40 GHAB O=C(O)C[C@@H](CC(=O)NCc1ccccc1)c1ccc(Br)cc1 35588005 JOQRKLHXGODAHS-OAHLLOKOSA-N 376.250 3.714 0 40 GHAB COc1ccc(-c2cnn3c(C)c(C(=O)Nc4cccc(OC)c4)cnc23)cc1 38829631 YCIKUVPDPDVBMK-UHFFFAOYSA-N 388.427 3.974 0 40 GHAB O=C(NCCCN1CCCCC1)C1CCN(Cc2ccccc2Cl)CC1 39759516 RSSMJDWODWDWOW-UHFFFAOYSA-N 377.960 3.544 0 40 GHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCN1CCC(C)CC1 40121270 NLFALGLSCNMHDC-UHFFFAOYSA-N 379.863 3.904 0 40 GHAB C[C@@H]1CN(c2ccccc2NC(=O)NCCCOCc2ccco2)C[C@@H](C)O1 40151792 IBTACHYJDSEJLZ-IAGOWNOFSA-N 387.480 3.622 0 40 GHAB C[C@H]1CCc2sc(C(=O)N3CCC[C@H]3C(=O)Nc3nccs3)cc2C1 41815231 CLVOOFPFXKRBHU-AAEUAGOBSA-N 375.519 3.573 0 40 GHAB CCc1ccc(N2C[C@H](c3noc(-c4ccc(OC)cc4OC)n3)CC2=O)cc1 44415851 SALFZMVGGVGBGR-OAHLLOKOSA-N 393.443 3.837 0 40 GHAB O=C(NCCC(=O)N1CCCCCCC1)c1cc(F)ccc1Br 45590747 DILBCWOCLOMPRR-UHFFFAOYSA-N 385.277 3.501 0 40 GHAB COc1ccc(CN(C)C(=O)Nc2ccc(OCC(F)(F)F)nc2)cc1OC 48200330 JYAFYRXWXZUEGF-UHFFFAOYSA-N 399.369 3.704 0 40 GHAB CC(C)(C)c1ccc(C2(C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)CC2)cc1 49701833 MQNQQGYOKIPCLP-UHFFFAOYSA-N 391.515 3.591 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1OC 51318261 GSFLXIWSPIFDDY-HNNXBMFYSA-N 394.475 3.701 0 40 GHAB COc1ccc(-c2cc(C(=O)N[C@@H](C)CCc3ccccc3)n[nH]2)c(OC)c1 57477368 GIEWXKDRLXWOPG-HNNXBMFYSA-N 379.460 3.845 0 40 GHAB Cc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c1 57486641 FKTINKYHKZIHHQ-UHFFFAOYSA-N 390.418 3.969 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(-c2ccc(F)cc2)n1 57508773 KPMVAHOKDXCUOQ-UHFFFAOYSA-N 379.435 3.867 0 40 GHAB O=C(c1cc(F)ccc1Br)N1CCN(CCc2ccccc2)CC1 57810313 WAZYTHUZBPAEGR-UHFFFAOYSA-N 391.284 3.589 0 40 GHAB O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc(Cn2cncn2)cc1 58179924 IOMNUTIGGINHCN-UHFFFAOYSA-N 382.423 3.810 0 40 GHAB Cc1ccc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)cc1F 65185531 REGYIGXIKDFCFV-UHFFFAOYSA-N 380.335 3.554 0 40 GHAB O=C(OC1CCCCCC1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 65654483 BTZHVPKRSYINKM-RTBURBONSA-N 382.460 3.526 0 40 GHAB Cn1c(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)n[nH]c1=S 67050278 FQSCUZPNNCRLMR-UHFFFAOYSA-N 384.427 3.625 0 40 GHAB COc1ccc(Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1F 67258165 ULFJHAPNUQNLPP-UHFFFAOYSA-N 396.443 3.718 0 40 GHAB Cc1ccc([C@H](CNC(=O)N2CC[C@@H](Nc3ccccc3)C2)N2CCCC2)o1 67640326 FUYZIJKJLRWBDX-UXHICEINSA-N 382.508 3.621 0 40 GHAB O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CCN(c2ccc(F)cc2)CC1 72243381 XESRESYQDFIXJT-UHFFFAOYSA-N 392.356 3.683 0 40 GHAB O=C(C1CCOCC1)N1CCC(c2nccnc2Oc2ccccc2F)CC1 72362906 KWZJBDZPBWVTPR-UHFFFAOYSA-N 385.439 3.541 0 40 GHAB COC(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Br)c2O)c1 79014426 JQDBLLRKDMTNEJ-UHFFFAOYSA-N 384.613 3.847 0 40 GHAB CC(C)n1ccc2cc(C(=O)N3CCN(CCc4ccccn4)CC3)ccc21 79480996 VLDKIUQSNVVYSH-UHFFFAOYSA-N 376.504 3.618 0 40 GHAB CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 84240364 SBTBKKGCECTMJI-QGZVFWFLSA-N 376.472 3.763 0 40 GHAB CCN(CC)C(=O)Oc1cccc(Br)c1I 90449546 AFPVOMGMCMFENO-UHFFFAOYSA-N 398.038 3.894 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(CCc2ccccc2)ccn1 95964158 HHTKZFOAQXCSQH-UHFFFAOYSA-N 394.496 3.913 0 40 GHAB c1cnc(N2CCC3(CC2)C[C@@H](NCc2ccoc2)c2ccccc2O3)nc1 96079822 FCXXHIAZFHNRMI-LJQANCHMSA-N 376.460 3.722 0 40 GHAB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2cccs2)CCO1 96117908 OTUPUQZPPFEBOK-HZMBPMFUSA-N 379.507 3.555 0 40 GHAB CC(=O)N1CC2(CCN(C(=O)Cc3ccccc3)CC2)c2cc(Cl)ccc21 96156933 YQUFBXFXIOHXLB-UHFFFAOYSA-N 382.891 3.809 0 40 GHAB CCn1c(S[C@@H](C(N)=O)C(C)(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 97082080 NDPVMVVXIIQRMU-YGRLFVJLSA-N 393.578 3.595 0 40 GHAB CCCNC(=O)[C@@H]1CN(Cc2ccc(OC)c(SC)c2)c2ccccc2O1 97165658 VLIKPJSTUNYCGL-IBGZPJMESA-N 386.517 3.711 0 40 GHAB CC(C)C[C@H](C(=O)O)C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 101448286 NXIKOYYFZGXXFC-IBGZPJMESA-N 398.455 3.836 0 40 GHAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 102704458 MPPRMKQPZPPZQF-QHAWAJNXSA-N 388.398 3.877 0 40 GHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 104716036 RHZLNAPNCFWVBN-RBDMOPTHSA-N 376.500 3.951 0 40 GHAB O=C(NCc1nn(C2CCCC2)c2c1COCC2)c1nc2ccccc2s1 206753257 DQMCWZVYDDIPEA-UHFFFAOYSA-N 382.489 3.611 0 40 GHAB CSc1ccccc1NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220134306 GKBBRRYFFVGJLL-AWEZNQCLSA-N 378.519 3.510 0 40 GHAB Cc1cc(C)cc(N(CCCC(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 222564662 PICATCVUMRIINS-SFHVURJKSA-N 388.533 3.727 0 40 GHAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccccc1Cl 222902780 OUKBNFJHEQYQHU-AWEZNQCLSA-N 376.859 3.923 0 40 GHAB CSc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1NC(C)=O 223122017 NJCZPOAAQUTEGO-UHFFFAOYSA-N 376.503 3.508 0 40 GHAB COc1nc(SC)ncc1/C=C1/SCCN1C(=O)c1ccc(F)cc1 225240267 NAGDCMJWSSEQNK-NTEUORMPSA-N 377.466 3.534 0 40 GHAB COC(=O)CSc1nnc(NC(=O)c2ccccc2SC(C)C)s1 225510704 KMXQMKPTFQKPEI-UHFFFAOYSA-N 383.520 3.556 0 40 GHAB COc1cccc(CCCNC(=S)Nc2cccc(N3CCCC3=O)c2)c1 225554826 LNDGHXFVNSDDFJ-UHFFFAOYSA-N 383.517 3.741 0 40 GHAB O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)n[nH]1 225562208 AIANMWBXJISTDK-MRXNPFEDSA-N 396.466 3.863 0 40 GHAB CCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCC(C)CC2)n1 225885728 CPHJQADRUVAXBC-UHFFFAOYSA-N 390.601 3.790 0 40 GHAB CC(C)c1ccc(OCCc2cc([C@@H]3CN(c4ncccn4)CCO3)n[nH]2)cc1 257242847 IELIBEWQBOFNJB-NRFANRHFSA-N 393.491 3.523 0 40 GHAB COc1ccc(C)cc1CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 257247829 JASBZPIQGMDCNE-PMAPCBKXSA-N 381.520 3.564 0 40 GHAB Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)ccc1N(C)S(=O)(=O)c1ccccc1 260561365 CICCMDPHQZRGEJ-ZWOKBUDYSA-N 398.528 3.739 0 40 GHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2CN(Cc3cccnc3)C[C@@H]21 306141140 VMCLTYFXCYAYDP-PXNSSMCTSA-N 382.510 3.565 0 40 GHAB Cc1cc(OC2CCN(C(=O)c3ccccc3Br)CC2)nc(C)n1 390827584 ZKLWYKRDCYZKIK-UHFFFAOYSA-N 390.281 3.540 0 40 GHAB CSc1ccccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 408597250 YEGHBRKJSUHCFD-UHFFFAOYSA-N 391.518 3.837 0 40 GHAB Cc1ccc(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@]2(O)C(F)(F)F)cc1 408734526 YEAAIBBSYGDPCB-GOSISDBHSA-N 380.341 3.564 0 40 GHAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3nccs3)c2)o1 409177342 DYMCCKQLGFUHKB-UHFFFAOYSA-N 390.804 3.665 0 40 GHAB Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(N4CCOCC4)cc3)sc2n1 409375775 PBZBDRMCGNTDCD-UHFFFAOYSA-N 382.489 3.584 0 40 GHAB CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccccc2OC2CC2)C1 504363767 WKDGLLRWEQHILY-UHFFFAOYSA-N 380.488 3.609 0 40 GHAB Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCC(n2cnnc2O)CC1 572668274 ZTBMUAWRLGDKEL-UHFFFAOYSA-N 385.855 3.968 0 40 GHAB COc1ccccc1OCC(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 575609804 HKBPQGDBCFMKGQ-GOSISDBHSA-N 383.469 3.652 0 40 GHAB Cc1nc(/C=C/C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(Cl)cc2)cs1 585290715 VAAXDERADBGOPC-XDIYQJDNSA-N 376.909 3.713 0 40 GHAB COc1ccc(Br)cc1CN(C)Cc1nc(-c2ccccn2)no1 613393934 XDGYMGYFKOSNPM-UHFFFAOYSA-N 389.253 3.535 0 40 GHAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2ccc(-c3ccccc3)c(C)n2)C1 626569264 RTDXHCPPXIKVPC-HLAWJBBLSA-N 394.519 3.820 0 40 GHAB CCc1cc(C(=O)N2Cc3ccccc3NCC[C@H]3CC[C@@H](C2)N3C(C)C)no1 643578279 MSXFAJOAQFBRJV-MOPGFXCFSA-N 396.535 3.936 0 40 GHAB CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)c1 649203023 GHTYESXZVGPDJX-KRWDZBQOSA-N 394.805 3.790 0 40 GHAB O=C1C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@@H]2CCOc2ccccc2N1 1534646385 IVKNBOKNKNXMCZ-ROUUACIJSA-N 394.471 3.665 0 40 GHAB COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12391988 GMLVPSMAQCSXFG-INIZCTEOSA-N 377.444 3.667 0 40 GHAB CC(=O)c1cccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)c1 886779 WUSGXUBAWGNOOR-VFNWGFHPSA-N 396.516 3.980 0 40 GHAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)o1 929505 FXXFTBFKMSSPNZ-CQSZACIVSA-N 391.493 3.637 0 40 GHAB COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2nncs2)cc1 61719889 YGOCAWGDNYBHBA-UHFFFAOYSA-N 383.458 3.713 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(CNc2ccc(F)cc2)o1 1328741 ASKZHKIZDGKCMI-CHWSQXEVSA-N 378.473 3.702 0 40 GHAB CCOc1ccc2nc(NC3=NCN([C@@H]4CCCC[C@H]4C)CN3)nc(C)c2c1 19320852 YOFZYRBTBVRWFU-AUUYWEPGSA-N 382.512 3.504 0 40 GHAB Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cc(=O)c3ccccc3o2)cc1F 79025081 MUYNFZFMWTXRPQ-ZDUSSCGKSA-N 391.402 3.917 0 40 GHAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 3547974 DEDUFYFAUOSFJJ-UHFFFAOYSA-N 392.908 3.688 0 40 GHAB CC(C)COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 4332734 WPOGSBYOEXLQFJ-HNNXBMFYSA-N 399.443 3.677 0 40 GHAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccncc1 4594990 SKWZRBXFKSMXBA-UHFFFAOYSA-N 391.859 3.883 0 40 GHAB CCc1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1N1CCCC1 12529463 PPAHFWWQHWMRFT-UHFFFAOYSA-N 376.504 3.858 0 40 GHAB COc1c(Br)cc(Br)cc1C(=S)N1CCCC1 6627272 YIURZKVJDSTCJS-UHFFFAOYSA-N 379.117 3.992 0 40 GHAB Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c(C)s2)no1 6680198 PYRHWHAUTGRBIG-UHFFFAOYSA-N 395.437 3.545 0 40 GHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 6937272 SUNBDNGBUBUDAN-RFRKOGIWSA-N 388.489 3.665 0 40 GHAB O=C(Nc1ccccc1OC(F)(F)F)C1=NN(c2ccccc2)C(=O)CC1 24512596 SLONFEBHJSIQLZ-UHFFFAOYSA-N 377.322 3.707 0 40 GHAB CN(C)[C@H](CNC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccs1 43143373 PLNGOHBERPBWJX-ZWKOTPCHSA-N 389.521 3.730 0 40 GHAB Cc1cc(C(=O)CSc2nc3sccc3c(=O)n2C)c(C)n1C(C)C 24667010 RWEXVCQAAXKHQF-UHFFFAOYSA-N 375.519 3.969 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1N1CCCC1=O 12583330 ZNRBFGNLJTYUQQ-UHFFFAOYSA-N 382.844 3.715 0 40 GHAB CN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(F)cc1 24830280 MMKQRPHIFPZGME-UHFFFAOYSA-N 378.451 3.959 0 40 GHAB Cc1ccc(CNC(=O)c2nnc(COc3ccc(F)cc3F)s2)cc1 24835191 FSDPZSXYLHGSTK-UHFFFAOYSA-N 375.400 3.634 0 40 GHAB CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)N(CC)CC 8617348 CKPXLXBRKAINGX-UHFFFAOYSA-N 387.524 3.835 0 40 GHAB COc1ccccc1CNC(=O)c1cccnc1NCc1ccccc1OC 22073069 FNIVPMVETGUYIJ-UHFFFAOYSA-N 377.444 3.641 0 40 GHAB CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1CN(c1ccc(Cl)cc1)C2=O 35326722 QEOBEFDWWRTCEL-KRWDZBQOSA-N 388.254 3.990 0 40 GHAB CCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1F 57487490 VSUBCORBYWMFJB-UHFFFAOYSA-N 391.493 3.547 0 40 GHAB O=C(NCc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416503 UYAQIAUUYZXXBH-NSHDSACASA-N 399.224 3.941 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2cc(F)ccc2C)c(Nc2cccc(F)c2)n1 57506349 SGOSCKSSFMFOQZ-UHFFFAOYSA-N 384.386 3.521 0 40 GHAB CC(C)N(CCNC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(C)C 12794022 FIWUHDUIJTUGOA-UHFFFAOYSA-N 395.956 3.520 0 40 GHAB Cc1nn(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(=O)c2ccccc12 12770595 YCESIHWNZOEHQI-UHFFFAOYSA-N 393.777 3.598 0 40 GHAB CCOc1ccc(CCNC(=O)c2nc(SC)ncc2Cl)cc1OCC 12764005 OUPBLTODDOUYLU-UHFFFAOYSA-N 395.912 3.622 0 40 GHAB CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1 2091514 GFOFVMIXSZUABT-INIZCTEOSA-N 389.448 3.954 0 40 GHAB biogenic Cc1ccc(CNC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1F 10128719 GSROOSGLXOYYGG-HXUWFJFHSA-N 398.478 3.749 0 40 GHAB O=C(COc1ccccc1-c1ccccc1)NCCc1ccc2c(c1)OCO2 12772289 KXUUVPUNMLQCGV-UHFFFAOYSA-N 375.424 3.820 0 40 GHAB C[C@H](NC(=O)c1coc(=O)c(Br)c1)[C@H]1[C@H]2C[C@H]3C[C@@H]2CC[C@@H]1C3 101187715 PGLXEDMYMQAPFM-HLZFQCGOSA-N 380.282 3.593 0 40 GHAB COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 100552552 ALEGWGLRDQQBMM-IAGOWNOFSA-N 379.412 3.594 0 40 GHAB CC(=O)NC(C)(C)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 58407094 ZMXZOPKHODEXQJ-UHFFFAOYSA-N 376.403 3.732 0 40 GHAB CC(C)c1cccc(O[C@@H](C)C(=O)NCc2cccc(N3CCOC3=O)c2)c1 48374808 POGNDXAHQJVCQL-INIZCTEOSA-N 382.460 3.850 0 40 GHAB CCN1CCN(c2ncnc3c2oc2nc(CC(C)C)c4c(c23)CCCC4)CC1 2228143 JXTPWLHJESFIBY-UHFFFAOYSA-N 393.535 3.990 0 40 GHAB Cc1ccc2nc(SCc3nc(Cc4ccccc4)no3)n(C)c(=O)c2c1 48345531 YFUIEQVTZMZUDI-UHFFFAOYSA-N 378.457 3.508 0 40 GHAB C[C@@H](Sc1nc2scc(C3CC3)c2c(=O)n1C1CCCCC1)C(N)=O 28851365 WTPIEMHBJHWJNW-SNVBAGLBSA-N 377.535 3.807 0 40 GHAB CC(C)/N=c1\ccccn1C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 11374709 MMXSKZHFGFASNZ-HIXSDJFHSA-N 378.451 3.689 0 40 GHAB O=C(OC/C=C/c1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 11442806 APSXZOOTIOGAJW-DHZHZOJOSA-N 385.485 3.731 0 40 GHAB COc1ccc(CC(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 11917124 VPKDEMBVWWAVGL-UHFFFAOYSA-N 388.221 3.689 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCO3)c(C)n1Cc1ccco1 2660340 LASAZXYHUUMEAW-UHFFFAOYSA-N 381.384 3.515 0 40 GHAB CCc1ccccc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 113965178 YFHSWUXXMDLYFP-UHFFFAOYSA-N 378.469 3.573 0 40 GHAB COc1ccc(C)cc1[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 65554969 WACYFTGBIAKGKQ-NSHDSACASA-N 398.356 3.977 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)cc1 3462730 HTOOEXAXMGHFKC-SFHVURJKSA-N 387.867 3.692 0 40 GHAB C[C@@H](OC(=O)CCc1nc(C2CC2)no1)c1nc2ccccc2n1C(F)F 84667840 HYFBKCRZYRWIFC-SNVBAGLBSA-N 376.363 3.929 0 40 GHAB O=C(CCN1CCSC1=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 12947454 CRTLIUKUZNSRAM-UHFFFAOYSA-N 383.445 3.510 0 40 GHAB Cc1sc2ncn(CCC(=O)N3CC=C(c4ccccc4)CC3)c(=O)c2c1C 12980101 BPRNCXPIHUXTIW-UHFFFAOYSA-N 393.512 3.781 0 40 GHAB CN(C(=O)c1cccc(NC(=O)Cc2ccccc2C(=O)O)c1)c1ccccc1 71284999 IXPRONDZDPVCLL-UHFFFAOYSA-N 388.423 3.843 0 40 GHAB CC(C)c1ccc(NC(=O)CCCNC(=O)c2cn(C)nc2C(F)(F)F)cc1 4036471 HNDZDHYSODIGGJ-UHFFFAOYSA-N 396.413 3.711 0 40 GHAB Cc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ccccn4)CC3)s2)cc1 13693319 MAZPZHBOBGNPER-UHFFFAOYSA-N 378.501 3.784 0 40 GHAB O=C(c1cccc(Cl)c1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 5046852 DDLJYDWODLUNDD-QGZVFWFLSA-N 398.311 3.823 0 40 GHAB CCOc1nc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)co1 96013695 HMYOYDZRVWSBAD-UHFFFAOYSA-N 383.492 3.734 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C23CC4CC(CC(C4)C2)C3)c1C 5127207 DIAVGXXXKQQNKY-ZHHULCEESA-N 387.476 3.749 0 40 GHAB CCC[C@H](c1nnnn1C1CCCCC1)N1CCN(Cc2ccccc2)CC1 20121551 MHTPBZXCGKUIDJ-OAQYLSRUSA-N 382.556 3.837 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccn3)c2)cc1 23055324 UEKXUXULCXSVGC-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB Cc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 13944211 YJFAUEFBGHGTCK-MRXNPFEDSA-N 392.484 3.928 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nc(C)c(Cc3ccc(O)cc3)[nH]2)cc1 13945860 SOKVAKNRQZLDFO-UHFFFAOYSA-N 395.484 3.948 0 40 GHAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(C)o3)c3ccccc32)cc1 4555149 FTPGKZQXUKMZEC-HSZRJFAPSA-N 375.424 3.904 0 40 GHAB COc1ccc([C@H]2CC(=O)c3cnc4[nH]n(-c5ccccc5)c(=O)c4c3C2)cc1 5428909 WJWAXRYRACPLIH-OAHLLOKOSA-N 385.423 3.635 0 40 GHAB CC(C)c1noc2ncc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)cc12 14526456 OMVZYQCXTDRSAK-AWEZNQCLSA-N 390.447 3.760 0 40 GHAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCc3cccnc3)c12 6660065 ZGXXMPMSJLWNDT-UHFFFAOYSA-N 380.444 3.534 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCCC(C)(C)C1 4821765 MOPLRAFMMFUCRD-UHFFFAOYSA-N 375.444 3.544 0 40 GHAB Cc1ccccc1-c1nnc2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n12 4816000 SGQHJYPNALINMF-DHDCSXOGSA-N 388.279 3.981 0 40 GHAB COc1ccc(-c2cc3c(=O)n(Cc4ccccc4C)ccn3n2)cc1OC 67260797 PONSZTOQWHFNKX-UHFFFAOYSA-N 375.428 3.537 0 40 GHAB C[C@]1(c2ccccc2)NC(=O)N(CCOc2c(Cl)cccc2Cl)C1=O 7001353 NVJUMAQPTMOUEJ-GOSISDBHSA-N 379.243 3.839 0 40 GHAB Cc1cccc(C)c1NC(=O)Cn1nnc(C(=O)Nc2ccccc2Cl)c1C 67323611 ZTEBVAIYFNXXHE-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCOCC2)cc1 19897885 MCKJDBMPIBISHQ-JOCHJYFZSA-N 396.531 3.796 0 40 GHAB biogenic CCN1CCN([C@H](c2cccnc2)c2c(NC(C)=O)sc3c2CCCC3)CC1 19880775 SGOFAYFZLIWVFJ-OAQYLSRUSA-N 398.576 3.707 0 40 GHAB Cn1c(SCc2cc3c(cc2Br)OCCO3)nnc1C1CC1 8071314 HVJUTLICXVGHLJ-UHFFFAOYSA-N 382.283 3.519 0 40 GHAB COc1cc(C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc(OC)c1OC 27742516 WGFZHNNFLPTNMR-UHFFFAOYSA-N 390.342 3.898 0 40 GHAB CCOc1ccc(CCC(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1OCC 20106032 KRCUUUHLNVIZCE-KDURUIRLSA-N 390.568 3.901 0 40 GHAB C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 69370104 CCUIFVHWBYNNBZ-HOCLYGCPSA-N 390.405 3.978 0 40 GHAB CC(C)=CC(=O)NCc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1 72302726 HRPIQQOEMVNQRR-UHFFFAOYSA-N 379.504 3.525 0 40 GHAB CC(C)Cc1n[nH]c(-c2nn3c(-c4ccco4)nnc3s2)c1Br 72400485 UAEVHXRWRJKBRD-UHFFFAOYSA-N 393.270 3.797 0 40 GHAB COc1ccc(CC2(OC(=O)c3ccc(CN4CCCC4=O)cc3)CC2)cc1 95997382 XECVOZUXIGHJNS-UHFFFAOYSA-N 379.456 3.750 0 40 GHAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1=O 408638402 CCEHNLUFEUBQSP-GOSISDBHSA-N 394.471 3.860 0 40 GHAB O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc(Cn2cncn2)cc1 524733461 LPKAUFFQMLNIPA-IBGZPJMESA-N 377.473 3.808 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCN(c3cccc4[nH]ccc34)CC2)c(C)c1 528762100 NUSJDJOATUIUQM-UHFFFAOYSA-N 376.504 3.854 0 40 GHAB Cn1nc(NC(=O)Cc2ccccc2Cl)c2c1NC(=O)C[C@H]2c1ccccc1 35597857 CZQPQJNSQZWOSW-HNNXBMFYSA-N 394.862 3.729 0 40 GHAB CCc1nc(C(C)C)ccc1CN1C(=O)N[C@@]2(CCc3ccc(OC)cc32)C1=O 555036029 IQXVGINRXSBZEF-HSZRJFAPSA-N 393.487 3.670 0 40 GHAB O=C(c1cnccn1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349215 RQMMNYKBUOPBMT-KRWDZBQOSA-N 376.435 3.621 0 40 GHAB O=C(c1cccnc1)N1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 72362073 RULOREIBUIOPFE-MRXNPFEDSA-N 378.407 3.823 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 36002185 NREVVAOCAYKIAH-MHGIMSBQSA-N 381.863 3.513 0 40 GHAB CCN1CCN(C(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)CC1 38280057 PUFXOCAYRMATFL-UHFFFAOYSA-N 395.890 3.607 0 40 GHAB CC(C)(C)N1C[C@H](C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1=O 35317059 HGIUNPSORHWHKN-MRXNPFEDSA-N 384.451 3.990 0 40 GHAB CCOC(=O)N1CCC(NCc2ccc(OC)c(OCc3ccccc3)c2)CC1 48040121 DTSRQFGAWRYGNE-UHFFFAOYSA-N 398.503 3.985 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 223592447 BHPBEHAOKKOVHU-HNNXBMFYSA-N 390.886 3.883 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 224553458 WPRKKMPQIUIXLC-NRFANRHFSA-N 384.495 3.948 0 40 GHAB C[C@@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NC3CCCC3)n2)C1 226006942 URWUSBYDJBLWCC-LLVKDONJSA-N 387.475 3.961 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 223020648 WMSHYHNXLVTMJD-WOJBJXKFSA-N 396.491 3.630 0 40 GHAB CCN(Cc1ccc(C(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccccc1 224446571 RXBADVDSCGCKBP-UHFFFAOYSA-N 395.484 3.545 0 40 GHAB CC[C@@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(OC)c(OC)c1 223155594 FUGQQALRHYYKFN-QGZVFWFLSA-N 393.505 3.759 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)c1 224936173 GZPASDKUHGHECD-UHFFFAOYSA-N 394.880 3.528 0 40 GHAB Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223917620 WUHZVKXGEFUSMF-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3snnc3-c3cccs3)CC2)c1C 225790785 GCWBHFIOHOYTBP-UHFFFAOYSA-N 384.530 3.846 0 40 GHAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccccc1F 222779735 SNMXHISCNLJWBX-UHFFFAOYSA-N 375.787 3.567 0 40 GHAB Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)COc3cccnc3)CC2)c1 257221295 DOJCBEVUJORYAZ-UHFFFAOYSA-N 392.459 3.533 0 40 GHAB CC[C@@H](N)C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1 257307190 SXONADLZTVIWNK-GEFMQMDVSA-N 392.927 3.543 0 40 GHAB Cc1cccc(N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)c1 260922541 HIHVYRXLLKBXGH-GOSISDBHSA-N 388.533 3.564 0 40 GHAB CO[C@@H](C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@H]1CCOC1 622830205 CNWUULHJDBJMAH-FXAWDEMLSA-N 378.428 3.999 0 40 GHAB C[C@@H](O)[C@@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1ccccc1F 650360118 PPQMWYZLKJHHHI-SJKOYZFVSA-N 384.373 3.808 0 40 GHAB C[C@]1(C(F)F)CN(C(=O)N[C@@H]2CCc3c(Br)cccc32)CCO1 663955832 VIIRIFKXADPBKO-CZUORRHYSA-N 389.240 3.502 0 40 GHAB O=C(c1ccc(F)cc1Cl)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96373903 DBXUWYSLZQQTDS-UHFFFAOYSA-N 399.846 3.697 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)N[C@@H](c1ccsc1)c1cccs1 390826922 RNFRPWAFPQCLBD-ZDUSSCGKSA-N 399.540 3.726 0 40 GHAB CN(C)c1ccc(-c2ncn3c2[C@@H](NC(=O)Cc2cccc(F)c2)CCC3)cc1 585110672 ARQHXAXODRIBTM-FQEVSTJZSA-N 392.478 3.949 0 40 GHAB Cc1csc(Nc2cc(C3CN(C(=O)/C=C/c4ccco4)C3)nc(C)n2)n1 585292434 MFMDLXTVHWVICK-AATRIKPKSA-N 381.461 3.526 0 40 GHAB O[C@H](c1cccnc1)c1ccccc1N1CCN(Cc2ccccc2F)CC1 72340645 JDXBEGSTRVELBE-HSZRJFAPSA-N 377.463 3.625 0 40 GHAB CCOC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OCC)cc1 5736188 VRKRNPXBCATHMT-UHFFFAOYSA-N 383.473 3.988 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3cc(Cl)ccc3OC(=O)c3ccco3)C(=O)[C@H]2C1 5915356 POIOLTMDFWDGNY-KBPBESRZSA-N 385.803 3.998 0 40 GHAB Cc1cccc(OCC(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1 5942968 IGRBEOVZTASUCG-UHFFFAOYSA-N 386.407 3.813 0 40 GHAB Cc1ccc(Cl)c(OCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)c1 12630045 IQVPLTDFYFCRPQ-LJQANCHMSA-N 387.842 3.806 0 40 GHAB C[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)c1ccc(F)c(F)c1 12796161 DMEAUWGMSHSDKW-MGPLVRAMSA-N 391.395 3.582 0 40 GHAB Cc1nc(/C=C/C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1 14729169 CQUHLNIFONNOHJ-AATRIKPKSA-N 381.423 3.832 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21 15243517 XLRQDBZTMHQTIQ-UHFFFAOYSA-N 382.844 3.579 0 40 GHAB CC(C)c1noc([C@@H]2Cc3[nH]cnc3CN2C(=O)Nc2ccc(Cl)cc2)n1 15676011 PJGIDXOFJIPGRG-HNNXBMFYSA-N 386.843 3.901 0 40 GHAB biogenic,in-vitro Cc1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(C3CC3)n2)c2ccc(F)cc2)s1 19217078 OGIWPYMEUAGPFD-QGZVFWFLSA-N 397.475 3.870 0 40 GHAB COc1ccc2nc(C)c(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)cc2c1 19582585 JLCFKZFOZMXIFX-UHFFFAOYSA-N 395.434 3.780 0 40 GHAB CCn1ncc(-c2cc(C(=O)Nc3ccc4nc(C)c(C)nc4c3)on2)c1C 19665066 UAPJXGGEJZUPCP-UHFFFAOYSA-N 376.420 3.679 0 40 GHAB Cc1noc(C)c1COc1ccccc1C(=O)OCC(=O)Nc1ccccc1F 5368023 IIWNNJXWVNUACK-UHFFFAOYSA-N 398.390 3.805 0 40 GHAB Cn1cc(-c2ccc(CCNC(=O)Cc3c(F)cccc3Cl)s2)cn1 1889211674 JQUFKXJSUDGFQR-UHFFFAOYSA-N 377.872 3.843 0 40 GHAB CCOC(=O)Nc1cccc(OCC(=O)Nc2ccc(OC(F)F)cc2)c1 20863342 LESCANHXKQLCBZ-UHFFFAOYSA-N 380.347 3.874 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 4251161 DKUPYAARSMIMOQ-UHFFFAOYSA-N 391.452 3.886 0 40 GHAB CSc1nc2ccc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc2s1 6454260 SOKZWIYVUDXQBE-UHFFFAOYSA-N 397.481 3.924 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)c1 6915303 LHGSWOATJDQYNH-UHFFFAOYSA-N 383.448 3.719 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)NCc3cncc(-c4ccco4)c3)CC2=O)cc1C 575617431 ALYKMPQQHUTBNV-LJQANCHMSA-N 389.455 3.628 0 40 GHAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1ncc(-c2cccc(Cl)c2)o1 28186459 YYRUXIJCKXBOJS-NRFANRHFSA-N 393.830 3.889 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 40086522 ZXNALLJIWLCNIO-UHFFFAOYSA-N 395.503 3.692 0 40 GHAB Cc1cc2ncn(CCCC(=O)N(C)C[C@H]3COc4ccccc4O3)c2cc1C 40135227 JSORBWCSQIMPJM-SFHVURJKSA-N 393.487 3.732 0 40 GHAB COC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 32775995 PVVQVGAOTZHMHV-KRWDZBQOSA-N 381.472 3.722 0 40 GHAB COc1ccc(NC(=O)CSc2nncc3c2[nH]c2ccc(F)cc23)cc1 32752889 ZHNGMYLQSNBSAB-UHFFFAOYSA-N 382.420 3.990 0 40 GHAB COc1ccc(N2C(=O)C[C@H](Nc3ccc(F)c(Cl)c3)C2=O)cc1Cl 102415408 NCERCEWTJWOCLW-AWEZNQCLSA-N 383.206 3.885 0 40 GHAB Cc1ccc(-c2cc(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)[nH]n2)cc1 21752768 JESXDWLJKFSFTI-UHFFFAOYSA-N 389.455 3.978 0 40 GHAB CC[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 32909045 BDMXJRYSKULKKL-GOSISDBHSA-N 376.456 3.888 0 40 GHAB COc1cccc(-n2nnnc2SCC(=O)Nc2ccc3ccccc3c2)c1 12293173 FQMBRWHSSJPEBZ-UHFFFAOYSA-N 391.456 3.555 0 40 GHAB Cc1c(C(=O)N[C@@H]2CCN3CCCC[C@H]23)cnn1-c1cccc(C(F)(F)F)c1 46993001 ZEOBAGUPIGSBKK-QZTJIDSGSA-N 392.425 3.556 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)c1 904878 PRUOKWHDISUPON-UHFFFAOYSA-N 386.452 3.572 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4c(C)cccc4C)ccn3n2)cc1 12414429 FTOLPYZABGQXAF-UHFFFAOYSA-N 386.455 3.727 0 40 GHAB Cc1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)c1 23125692 SBYWOBCFMSCNSE-UHFFFAOYSA-N 386.411 3.512 0 40 GHAB COc1ccc(OC)c(NC(=O)COc2ncnc3sc4c(c23)CCCC4)c1 3317696 AGHMNUGJPZRSDQ-UHFFFAOYSA-N 399.472 3.605 0 40 GHAB CCOc1ccc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc1OCC 3544701 KWNHKODMLUWSRD-OAHLLOKOSA-N 383.444 3.619 0 40 GHAB O=c1/c(=C/c2c[nH]c3ccccc23)sc2nc3ccc(Br)cc3n12 971090 GVOAOYBYDCJYBC-APSNUPSMSA-N 396.269 3.701 0 40 GHAB COC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 4365615 DIXWLFJFGVVXDF-SNVBAGLBSA-N 392.839 3.832 0 40 GHAB O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)Nc1ccc(F)cc1 1083566 BIHBITNJIWWIRO-UHFFFAOYSA-N 395.761 3.910 0 40 GHAB COc1cc(/C=C\C(=O)OC/C=C/c2ccc3c(c2)OCO3)cc(OC)c1OC 4726940 XSDSFWOIAZLXLB-ADNKFJFNSA-N 398.411 3.711 0 40 GHAB COc1cc(-c2nnc(COC(=O)c3cccc(C)c3C)o2)cc(OC)c1OC 6422415 BGPPGBZZECCQDC-UHFFFAOYSA-N 398.415 3.736 0 40 GHAB Cc1cc(C)nc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2ccccc2)n1 6679376 HCEBVAWNPLAJQB-RHSMWYFYSA-N 379.489 3.751 0 40 GHAB CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 7055358 JZFDWNJUGICUSG-UHFFFAOYSA-N 376.478 3.797 0 40 GHAB CCOc1ccc(NC(=O)CN(C)C(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OCC 102708998 XTNYHNVZUVZFCG-BRWVUGGUSA-N 388.508 3.707 0 40 GHAB COCc1nn2c(O)cc(Cc3ccsc3)nc2c1-c1ccc(OC)cc1 100776166 NQKIVKSJBCDCIZ-UHFFFAOYSA-N 381.457 3.909 0 40 GHAB COc1cccc(NC(=O)CNc2ccc(NC(C)=O)cc2C(F)(F)F)c1 12540002 IMMBFJMPPFMMKF-UHFFFAOYSA-N 381.354 3.723 0 40 GHAB CCc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 8414586 SVQFRPCXTIYHTO-UHFFFAOYSA-N 382.460 3.766 0 40 GHAB CCOc1ccc(/C=C2\SC(=O)N(CN3CCCCC3)C2=O)cc1OCC 35147277 ZMBYHUCVWBAMOX-AQTBWJFISA-N 390.505 3.964 0 40 GHAB C[C@H](Nc1ccc(F)c(Cl)c1)C(=O)N1CCN(Cc2ccccc2)CC1 57406248 NUDDSJLNDLRRFR-HNNXBMFYSA-N 375.875 3.624 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 24356535 DLBNWYSOCNIPID-JTQLQIEISA-N 388.272 3.820 0 40 GHAB CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2c(nc3sccn32)s1 57615335 GNFNDOBDXFATMD-UHFFFAOYSA-N 398.513 3.884 0 40 GHAB Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)c1 101724689 CSNFQULZPKOOSB-HJEMKOJISA-N 398.462 3.805 0 40 GHAB C[C@@H](Sc1nc2ncccn2n1)C(=O)NC(c1ccccc1)c1ccccc1 10073958 KPURYFSBBSGPMY-OAHLLOKOSA-N 389.484 3.511 0 40 GHAB COc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Br)c1 12783314 HQDPNFGIQOMTSP-INIZCTEOSA-N 396.306 3.984 0 40 GHAB COc1cc2nc(-c3ccccc3)nc(N3C[C@H](C)O[C@@H](C)C3)c2cc1OC 2199260 HWHMLWNCWMDFDS-GJZGRUSLSA-N 379.460 3.928 0 40 GHAB CC(=O)N1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 3306868 WZRMXKKDOHBEKB-UHFFFAOYSA-N 388.920 3.937 0 40 GHAB Cc1nn(C)c(C)c1CCC(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1 48331577 RTSLENBSLWHMBZ-QZTJIDSGSA-N 396.579 3.764 0 40 GHAB CCOc1ccc(NC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 2429816 ZMPAHTCUTXGJSX-UHFFFAOYSA-N 397.431 3.724 0 40 GHAB CCOc1ccc(C2=N/C(=C\c3cccc(OC)c3OC)C(=O)O2)cc1OCC 12877500 PAYWRZKXRWFNSM-VBKFSLOCSA-N 397.427 3.846 0 40 GHAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)N1CCC[C@H]1c1ccsc1 45987291 HOAFCQGSQCTYKK-KRWDZBQOSA-N 391.518 3.657 0 40 GHAB O=C(OCc1csc(Br)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 46207167 RNHBXCDQUDVTEF-AWEZNQCLSA-N 394.290 3.603 0 40 GHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)C1=O 2620858 ZTHFMQALJIRQHU-OAQYLSRUSA-N 399.878 3.834 0 40 GHAB Cc1ccn(Cc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)n1 2731608 FAUBBYUOFORKLR-UHFFFAOYSA-N 385.884 3.733 0 40 GHAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1cccs1)C[C@@H]1CCCO1 27989467 LWQCQLLKWVBAIH-AWEZNQCLSA-N 387.432 3.815 0 40 GHAB C[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(Cl)cc1 12858585 ZUCDAMDFZXJKLD-ZDUSSCGKSA-N 392.908 3.543 0 40 GHAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCC1CCCCC1 3432878 LPMRIBHWZGFKGT-UHFFFAOYSA-N 391.562 3.652 0 40 GHAB O=C(COc1ccc(Br)cc1Br)NC1CCCC1 3515815 YURRVOZFUKRXPP-UHFFFAOYSA-N 377.076 3.649 0 40 GHAB COc1cccc(CN(C)CC(=O)Nc2ccc(C)cc2Br)c1 3584129 ATAJZVXNLVLOJJ-UHFFFAOYSA-N 377.282 3.837 0 40 GHAB Cc1ccc(-c2nnc(S)n2CC(=O)N(C)Cc2ccccc2Cl)cc1 12997965 VVSIPQKMZCUEAD-UHFFFAOYSA-N 386.908 3.854 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)C1=Cc2ccccc2CC1 12932424 AQFXQYAKXGTREP-UHFFFAOYSA-N 390.892 3.527 0 40 GHAB COc1ccc2c(C)c(CC(=O)N[C@H](C)c3ccccc3)c(=O)oc2c1OC 4089730 HLAQNXNYDVNCRX-CQSZACIVSA-N 381.428 3.539 0 40 GHAB biogenic O=C(NCCc1ccc(O)cc1)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 13624687 UBDTYYWPXMCIIA-UHFFFAOYSA-N 399.450 3.838 0 40 GHAB CC(C)[C@@H](C)NC(=O)COc1nc2ccccc2nc1N(C)C1CCCCC1 6083858 YLZCQYZCAYRXQB-MRXNPFEDSA-N 384.524 3.938 0 40 GHAB CCCOc1ccc([C@@H]2[C@H](C(=O)OCC)C(=O)Nc3nc4ccccc4n32)cc1 20637542 IWKQBOMUVDNOIC-RBUKOAKNSA-N 393.443 3.546 0 40 GHAB Cc1c([C@H]2OC(=O)C3(CCCCC3)C(=O)C2(C)C)c(=O)n(-c2ccccc2)n1C 4313113 HGYKPBYEEWLLGP-GOSISDBHSA-N 396.487 3.628 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)o1 65540521 GAAOQJHHUSVHNN-BXUZGUMPSA-N 381.881 3.732 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 5332488 NQLVQLPJTCZRIU-UHFFFAOYSA-N 380.469 3.977 0 40 GHAB COc1ccc(C(=O)CCC(=O)NCCSCc2ccccc2)cc1OC 23743344 FWVJUWUXOZNKPS-UHFFFAOYSA-N 387.501 3.716 0 40 GHAB O=C(Nc1ccc(OC(F)F)cc1)c1nn(-c2cccc(Cl)c2)ccc1=O 5482898 PJGGPIFIRVJXNP-UHFFFAOYSA-N 391.761 3.740 0 40 GHAB Cc1ccn2c(=O)cc(COc3cccc(C(=O)NCc4ccccc4)c3)nc2c1 9366051 ICUMWBYMVQDPTK-UHFFFAOYSA-N 399.450 3.512 0 40 GHAB CCN(c1ccccc1)c1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 66088687 ZBWOYZYNUCCWAK-UHFFFAOYSA-N 377.444 3.642 0 40 GHAB COc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(OC)c1 408627922 RMQCWHAMCZFMLM-UHFFFAOYSA-N 390.288 3.977 0 40 GHAB O=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccc(Oc2ccccc2)cc1 6649086 KJUJPWJSHHKQIV-UHFFFAOYSA-N 389.390 3.910 0 40 GHAB CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 4814767 WBPCVBGSMILQGC-CYBMUJFWSA-N 387.534 3.773 0 40 GHAB CCOc1c(Br)cc(C(=O)Nc2nc3ccccc3[nH]2)cc1OC 6907918 OGMHRNBONMZGGM-UHFFFAOYSA-N 390.237 3.985 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)OCc3nnc(-c4ccccc4)o3)c2O1 4997725 GVNSQSZRPUEYOE-UHFFFAOYSA-N 380.400 3.572 0 40 GHAB COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3cccc(F)c3)oc12 67293884 ORDOKJBKPHRQTN-JUZPYSENSA-N 396.418 3.722 0 40 GHAB Cc1cccc(NC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)c1 67334503 IJNSIWYDMDQZLC-UHFFFAOYSA-N 390.443 3.666 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCCC2)cc1 7227070 SLSWLFPNWSGWGK-UHFFFAOYSA-N 386.517 3.870 0 40 GHAB O=C(CN(Cc1ccco1)Cc1cccs1)N1CCN(c2ccccc2)CC1 7360300 KSNCFRWMYHSAEV-UHFFFAOYSA-N 395.528 3.692 0 40 GHAB CCCCc1nc2ccccc2n1CC(=O)Nc1cc2c(cc1C(C)=O)OCO2 8012568 HNHXHCLKVBQTEQ-UHFFFAOYSA-N 393.443 3.949 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1F 18237143 DQOFZSQBJQLMTE-MRXNPFEDSA-N 375.350 3.680 0 40 GHAB COc1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3c3nc(C)nn23)c1 8704148 ZMVBMBMWJOKHRU-GFCCVEGCSA-N 393.472 3.714 0 40 GHAB Cc1cc(C)n(C(=O)CCCCCNC(=O)c2ccccc2Br)n1 9871306 VPHFGIOFLKXTJW-UHFFFAOYSA-N 392.297 3.893 0 40 GHAB Cc1ncc(/C=C/C(=O)OCC(C)COC(=O)/C=C/c2cnc(C)s2)s1 84297480 ZYWUBIMMIBLEOK-YDFGWWAZSA-N 392.502 3.666 0 40 GHAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 89828048 UMIFCJYFTAZKTN-ZTFGCOKTSA-N 388.389 3.731 0 40 GHAB Cc1nccn1-c1ccccc1CNC(=O)CN1C(=O)c2cccc3cccc1c23 20491192 FOKDUSVZLFYSET-UHFFFAOYSA-N 396.450 3.611 0 40 GHAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 408711419 VDNSCJWVPHCCGI-TWOQFEAHSA-N 384.501 3.714 0 40 GHAB CCN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 39986781 ZNWFMVQBZZFISH-UHFFFAOYSA-N 387.288 3.643 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 408555077 DITGRQXYWZTPGJ-OAHLLOKOSA-N 390.505 3.723 0 40 GHAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 33685506 WQSZSPGJQBPXNO-WQRHYEAKSA-N 396.468 3.987 0 40 GHAB CSCC[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1nc(C)cs1 36569448 PZSXMLOPFKENEV-CYBMUJFWSA-N 389.502 3.688 0 40 GHAB CCc1ccc2nc(NC(=O)N3CCNC(=O)[C@@H]3c3cccs3)sc2c1 78936573 IXSZDNDPHAKYFM-HNNXBMFYSA-N 386.502 3.625 0 40 GHAB COc1ccccc1C(=O)NC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 35289468 KOOMVNSMZDGBRI-UHFFFAOYSA-N 387.867 3.775 0 40 GHAB COc1ccc(C(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)cn1 72363173 YKXGHQXUXWXAMZ-UHFFFAOYSA-N 390.443 3.692 0 40 GHAB CC(=O)N1CCC(N2CCC[C@@H](c3nc(C)cc(Oc4ccccc4)n3)C2)CC1 72363011 ZNFQJHFWODEQLN-LJQANCHMSA-N 394.519 3.768 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)cc1 225416396 LLHSBSYRJCCRSR-JOCHJYFZSA-N 396.531 3.880 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 224310509 KGBPMJACNASJAC-IBGZPJMESA-N 390.886 3.965 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCCSc1ccc(C)cc1)CCCC2 223379591 RSHKKZVWFLVLGP-UHFFFAOYSA-N 391.558 3.953 0 40 GHAB Cc1ccc(OCCNC(=O)c2cccc(I)c2)c(C)c1 224966496 HHEWMGFWNOTDQB-UHFFFAOYSA-N 395.240 3.717 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 225052814 UMDWDAUNRDIUOV-RTBURBONSA-N 382.504 3.706 0 40 GHAB CC(C)Oc1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)cc1 225778662 UEPNZBMXUCBAPK-UHFFFAOYSA-N 399.560 3.793 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCO2)cc1NC(=O)c1ccc(Cl)cc1F 48345872 JMZKENWZTYLEGB-QGZVFWFLSA-N 392.814 3.858 0 40 GHAB Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O 224875744 RHNFQHPGQVDJOP-ROUUACIJSA-N 384.892 3.956 0 40 GHAB O=C(COc1ccccc1)Nc1ccnn1Cc1cccc(Br)c1 44532483 XEPHWRLEZAVBTP-UHFFFAOYSA-N 386.249 3.711 0 40 GHAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccc(Br)cc1F 225745149 UDVSCXJPRRUGGB-UHFFFAOYSA-N 389.224 3.850 0 40 GHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1ccncc1 222727317 NUKHCDKXXFIZAB-VQTJNVASSA-N 377.517 3.546 0 40 GHAB Cc1cc(C(=O)NC(C)C)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224213827 ULCOTRNGVKVXLL-UHFFFAOYSA-N 380.897 3.612 0 40 GHAB O=C(NCCOc1ccccc1)C1CCN(Cc2c(F)cccc2Cl)CC1 224548699 RBZLACZMFYQQSN-UHFFFAOYSA-N 390.886 3.886 0 40 GHAB CC[C@H](C(=O)Nc1cc(Cl)ccc1C)N(c1ccccc1F)S(C)(=O)=O 220590857 UEOUHRDQKFBDKN-MRXNPFEDSA-N 398.887 3.971 0 40 GHAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)c(C)c1 225476377 AFWYEXZJUHPEEG-HNNXBMFYSA-N 391.562 3.747 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(C(C)C)cc2)c1 223901454 SDHCKTMMKGURDU-UHFFFAOYSA-N 381.881 3.729 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1 98211776 NPDJFLFOUXXSQO-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB CCc1cccc(C)c1NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 243445106 NECIVIVPYTXITL-UHFFFAOYSA-N 394.924 3.924 0 40 GHAB CNc1cc([C@@H]2CCCN2C(=O)C2(Cc3ccccc3)CCOCC2)ccn1 257308512 TWYZOMJJGAFMBS-FQEVSTJZSA-N 379.504 3.826 0 40 GHAB CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(Cc2ccc(F)cc2)C1 257275663 NQHXEHBNVJQTIV-AWEZNQCLSA-N 384.480 3.522 0 40 GHAB Cc1cccc(-n2cc(CNCc3cccc(OCCN(C)C)c3)c(C)n2)c1 651681598 VMCVQNAJCCIFKH-UHFFFAOYSA-N 378.520 3.719 0 40 GHAB CC(=O)Nc1cc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)ccc1F 54098695 FZVWWQKPUWOAMI-KBPBESRZSA-N 385.439 3.650 0 40 GHAB O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(C(=O)c2ccoc2)C1 40059803 QBFAULTWSQFIPY-CYBMUJFWSA-N 381.259 3.755 0 40 GHAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1cccc(I)c1 1028066 FCUQKRLLKPTFNR-ZROIWOOFSA-N 393.155 3.775 0 40 GHAB O=C1C[C@@H]2CCN(C(=O)Nc3cccnc3)C[C@@H]2CCOc2ccc(F)cc2N1 1534646755 SZIABIPCWQKAMU-GJZGRUSLSA-N 398.438 3.502 0 40 GHAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)cc(OC)c2O)C1=O 5175885 RYTYLTZFLKPWFA-UGZWPXFQSA-N 386.267 3.998 0 40 GHAB Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2)N(CCO)C3=O)c1 5343998 UAXBLWKRQWLCIL-LJQANCHMSA-N 397.862 3.590 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 12623123 ZOEXEABLPHSTAP-ZMYBRWDISA-N 375.465 3.806 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714107 XJZLRBUENITHAU-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB CCOc1ccc(NC(=S)NC2CCN(C(=O)c3ccccc3)CC2)cc1 16705105 AIZRQSBQKZTAMN-UHFFFAOYSA-N 383.517 3.677 0 40 GHAB O=C(c1ccncc1)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19376533 IGQYJWXMPBPZJM-UHFFFAOYSA-N 385.427 3.700 0 40 GHAB COc1ccc(Nc2ncccc2C(=O)NCCCN2CCC[C@@H](C)C2)cc1 19496562 MKKZKFCMBPPWDV-QGZVFWFLSA-N 382.508 3.686 0 40 GHAB COc1ccc(CN2CCC[C@@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)cc1 19496742 OKKZCTHYPYCASA-LJQANCHMSA-N 397.519 3.935 0 40 GHAB CCOc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 19533277 JBDULKQGYZJBJO-JOCHJYFZSA-N 394.519 3.507 0 40 GHAB Cc1ncc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCCN3C)c(C)n1 19552500 JOIYQLRXTOYUSR-CEMLEFRQSA-N 378.520 3.576 0 40 GHAB COc1ccc(-c2nc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)cs2)cc1 19717296 GRIAQGVVBWQKHM-UHFFFAOYSA-N 397.485 3.928 0 40 GHAB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cccc(O)c1 6348302 GPSGNGIZALUFPI-WQRHYEAKSA-N 381.453 3.991 0 40 GHAB O=C(O)/C=C/c1cccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c1 226322934 QSQCZYQORSCPMA-JMQWPVDRSA-N 386.860 3.964 0 40 GHAB CC(C)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)nn1-c1nc2ccccc2s1 11027687 KSHURHJOZHIDOG-KBPBESRZSA-N 384.505 3.855 0 40 GHAB C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1OC(F)F 28912259 MWCUJPMJNVNYRO-ZDUSSCGKSA-N 389.402 3.854 0 40 GHAB CCc1cccc2c(C(=O)COC(=O)/C=C/c3ccc(O)c(OC)c3)c[nH]c12 2661099 LDHJESZJVUTQSL-CSKARUKUSA-N 379.412 3.884 0 40 GHAB C[C@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1ccc(F)cc1 4790862 JUFVWGRJVFDQQY-NSHDSACASA-N 376.482 3.726 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)c1 5312372 DYAWSXQQJMMXEA-UHFFFAOYSA-N 394.500 3.998 0 40 GHAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N(C)Cc1ccc(C)cc1 6786587 ZHVJLKLGZLANDN-HXUWFJFHSA-N 384.545 3.814 0 40 GHAB COc1cc(C)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1OC 7050751 SVTFTCLEPRLGOX-UHFFFAOYSA-N 375.368 3.832 0 40 GHAB CCc1cc(Br)ccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@@H]32)[C@@H]1C(=O)O 101291630 KAIBOPVJDVZKPL-CDSWZMAWSA-N 390.277 3.719 0 40 GHAB O=C(CSc1nnc(NC(=O)c2cccc(F)c2)s1)Nc1ccccc1 4077740 QERHISWEHUYNGQ-UHFFFAOYSA-N 388.449 3.660 0 40 GHAB Cc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(F)cc3)s2)c1 4392874 FHRBCVXABDRVNY-UHFFFAOYSA-N 397.475 3.863 0 40 GHAB CCOCC(=O)Nc1c(C(=O)Nc2ccc(OC)c(OC)c2)oc2ccccc12 4353971 DRKXALYFLHKRMM-UHFFFAOYSA-N 398.415 3.677 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2-n2cccc2)c1 5242365 BWWKHXLJGXHFGR-UHFFFAOYSA-N 393.472 3.999 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)c1 5257340 JKYVJCWZLDJHBF-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB CC[C@@H](C)NC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1 8852295 FVAVOWBKHCJRMY-LLVKDONJSA-N 397.953 3.985 0 40 GHAB Cc1cc(NC(=O)C(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2n1 10327164 LZPRGGGVIHKASU-UHFFFAOYSA-N 387.483 3.963 0 40 GHAB COc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1OC 10327123 RNQINZJTGSXKFW-UHFFFAOYSA-N 390.439 3.548 0 40 GHAB Cc1ccc(S(=O)(=O)NCc2ccc([C@H](O)c3ccccc3)s2)c(C)c1 207970906 DRBQMOXUXDUMQK-HXUWFJFHSA-N 387.526 3.925 0 40 GHAB COC(=O)c1c(NCc2ccc(F)cc2F)c2cc(Cl)ccc2[nH]c1=O 49001557 WDJUUOPRKOVZJU-UHFFFAOYSA-N 378.762 3.858 0 40 GHAB Cc1ccc(Nc2nc(Nc3cccc(C)c3)nc(N3CCOCC3)n2)cc1 9708960 DHMNNJZHRSWDFV-UHFFFAOYSA-N 376.464 3.812 0 40 GHAB CCCOc1cc(S(=O)(=O)Nc2cccc(C)n2)ccc1Br 11565929 MIXMQDAXZNAVDW-UHFFFAOYSA-N 385.283 3.742 0 40 GHAB Cc1csc(=O)n1CCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 10428489 OUEZUYRCDFFSRK-UHFFFAOYSA-N 378.457 3.586 0 40 GHAB CCc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 30062945 NXAODXXZVUZZGW-UHFFFAOYSA-N 398.528 3.627 0 40 GHAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H]1c1nnc2ccccn12 40005280 JCWOJJYVLHPJAG-INIZCTEOSA-N 375.457 3.830 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)N3CCc4sccc4[C@H]3C)CC2=O)cc1 30548004 NXXRTDZAMVZTFX-HUUCEWRRSA-N 384.501 3.646 0 40 GHAB CCOc1cccc(/C=C/c2nc3ccccc3c(=O)n2CCCC(=O)O)c1 40139853 DTNXYDODYGQRCH-OUKQBFOZSA-N 378.428 3.830 0 40 GHAB CC(=O)N(c1nc(C)c(C(=O)Nc2nnc(C(C)(C)C)s2)s1)C(C)C 40287175 XPFWTPOBWPBFEH-UHFFFAOYSA-N 381.527 3.614 0 40 GHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Oc2ccncc2)cc1 50490491 TWQWTFNGEJYJEH-IBGZPJMESA-N 379.416 3.860 0 40 GHAB COc1cc2c(cc1OC)-c1c(c(C(=O)NCC(C)C)nn1-c1ccccc1)C2 20745767 QMIPQRFXRHBGOU-UHFFFAOYSA-N 391.471 3.847 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccc2c(c1)OCCO2 32712823 PKRGZMFHJVCSAP-OAQYLSRUSA-N 395.434 3.910 0 40 GHAB C[C@H](Sc1nc(Cc2cccs2)n[nH]1)C(=O)N(C)Cc1cccc(F)c1 32893253 RLZRRHOWRCHRFJ-LBPRGKRZSA-N 390.509 3.735 0 40 GHAB O=C(Nc1ccncc1)C1CCN(Cn2nc(-c3ccccc3)oc2=S)CC1 32913342 WYNGZJJTJWBEAP-UHFFFAOYSA-N 395.488 3.576 0 40 GHAB Cc1cc2ncc(C(=O)N[C@H](c3ccc4c(c3)OCCCO4)C(C)C)c(C)n2n1 32900450 AIVKYQSFSSOWNP-NRFANRHFSA-N 394.475 3.635 0 40 GHAB Cc1ccc2c(c1)[C@@]1(Nc3ccccc3C(=O)N1CCc1ccccc1)C(=O)N2 643418 KGCZUWNYOPGWAF-DEOSSOPVSA-N 383.451 3.911 0 40 GHAB CCc1ccc(-n2c(SCC(=O)N(CC)CC)nnc2-c2ccncc2)cc1 796350 ZPWYPVMEBVPJRK-UHFFFAOYSA-N 395.532 3.852 0 40 GHAB CCOC(=O)c1cc(CC)sc1NC(=O)Cn1c(=O)sc2ccccc21 801753 VVDSBCLKSYSXLE-UHFFFAOYSA-N 390.486 3.502 0 40 GHAB NC(=O)CSc1nc(CCc2ccccc2)nc2sc3c(c12)CCCC3 1372102 LGYAXMOUZKWTTD-UHFFFAOYSA-N 383.542 3.933 0 40 GHAB CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)c12 2092584 VCPSDWNCLUYMGU-ZDUSSCGKSA-N 389.448 3.873 0 40 GHAB biogenic COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1cccc(O)c1 2341233 FEGPYENDHQCFAT-SFHVURJKSA-N 399.830 3.652 0 40 GHAB O=C(Nc1ccc(F)cc1F)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 2624432 JPOWWRZLGKUJSJ-GOSISDBHSA-N 382.366 3.764 0 40 GHAB COc1ccc2cc(-c3cc(C(=O)OCC(N)=O)c4ccccc4n3)ccc2c1 2628827 UDFILJFOXHDAHM-UHFFFAOYSA-N 386.407 3.706 0 40 GHAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc(C(F)(F)F)cc1 3226650 IFURWYWZECAKBD-UHFFFAOYSA-N 391.301 3.607 0 40 GHAB COc1ccc(C(=O)N[C@H](C(=O)N[C@H]2CCCc3ccccc32)C(C)C)cc1 3354194 OXALCVAMNIGBLX-SFTDATJTSA-N 380.488 3.643 0 40 GHAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 3354946 UHERYFRODPYGAN-UHFFFAOYSA-N 379.441 3.631 0 40 GHAB CCCCn1c(=O)c(CCC(=O)NCc2ccc(F)cc2)nc2ccccc21 3370859 YZPHRCFGRQYOLJ-UHFFFAOYSA-N 381.451 3.585 0 40 GHAB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)ccc2c1 3409545 IPENNORLWLVOIR-QFIPXVFZSA-N 378.403 3.955 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cccnc1Cl 3550278 PONSPPUVOMCTSL-UHFFFAOYSA-N 396.863 3.595 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c1 4280260 DVDZJGKNVYSMJH-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB CC(=O)c1c(C)nc2sc3c(=N)n(N)cnc3c2c1-c1ccc(Cl)cc1 4396086 FYGHUGYNHCIYAX-UHFFFAOYSA-N 383.864 3.671 0 40 GHAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(Oc2ccccc2)cc1 4894042 MYXPDTPCJBCDEH-GFCCVEGCSA-N 381.461 3.553 0 40 GHAB COCCNC(=O)CSc1nc(-c2ccc(C)cc2)[nH]c1-c1ccccc1 4927750 QWGHKKLFVCGNKI-UHFFFAOYSA-N 381.501 3.907 0 40 GHAB O=C(O)c1cccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1 5234104 KORKIRMPYLELAL-UHFFFAOYSA-N 381.453 3.776 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2)c1 5311661 MZHSJNKXTIKMII-UHFFFAOYSA-N 396.896 3.631 0 40 GHAB O=C([C@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1)N1CCCC1 5469555 VICBYYSVWDKODZ-QGZVFWFLSA-N 399.907 3.772 0 40 GHAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](C)c1ccccc1 5984780 CNISWZKXTMQEFL-ZWOKBUDYSA-N 388.533 3.565 0 40 GHAB Cc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C 6267420 YZYWBNNCYPGRJY-UHFFFAOYSA-N 383.926 3.708 0 40 GHAB O=C(OCCOc1ccccc1)c1ccccc1SCC(=O)N1CCCC1 6344495 QHIWBOCUYOBMMX-UHFFFAOYSA-N 385.485 3.637 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 6509922 DBLXKAZGUFJQKL-UHFFFAOYSA-N 381.413 3.750 0 40 GHAB CC(C)c1ccc(-n2nnnc2S[C@@H](C(=O)N(C)C)c2ccccc2)cc1 6850256 LKBLPENBEAJGOX-GOSISDBHSA-N 381.505 3.707 0 40 GHAB CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2c1 6964596 MALJYWAWKBQCIS-XYSGSMRZSA-N 394.471 3.839 0 40 GHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCCOc1ccccc1 8115454 YHXGWGVQDOGJNO-UHFFFAOYSA-N 389.451 3.882 0 40 GHAB C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccs1 8341611 DLZBCPILLKBYMH-HNNXBMFYSA-N 389.480 3.997 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccccc1 8416263 NZQBZOZVOVEQKW-UHFFFAOYSA-N 394.349 3.606 0 40 GHAB CCOc1cc2c(cc1CSc1nnnn1-c1ccccc1C)O[C@H](C)C2 8923612 FNZGGOCRZTWCBT-CQSZACIVSA-N 382.489 3.985 0 40 GHAB Cn1ccnc1[C@H](Nc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 9219636 MOSPOVBPQYGSQB-LJQANCHMSA-N 381.443 3.751 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 9387807 KUXZKLGPGDEWHL-FQEVSTJZSA-N 378.428 3.766 0 40 GHAB Fc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1Br 9577283 XBRBXFTYDHYELM-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccccc3)CC2)c(OC)c1 9986130 IWVGXLNQXIIIKS-PKNBQFBNSA-N 379.456 3.839 0 40 GHAB O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1cnn(-c2ccccc2)c1 11146466 QKXDHTBYSFVIHC-UHFFFAOYSA-N 386.411 3.648 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3nc4c(s3)CCCC4)n2)cc1 11987154 ZDDRHIFVZDLIHH-UHFFFAOYSA-N 384.461 3.652 0 40 GHAB CCc1cc(C(=O)N2CCC[C@H](c3nn(C(C)(C)C)c4ncccc34)C2)on1 12276651 WWQSTGHSHVFLCZ-AWEZNQCLSA-N 381.480 3.757 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 12746355 ZRRNAFAUSAENFD-CABCVRRESA-N 393.409 3.909 0 40 GHAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)Nc1ccn(C)n1 12751441 AOBWRBREBNHWPC-UHFFFAOYSA-N 387.443 3.593 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1nc4ccc(F)cc4s1)(C3)C2 12789121 RZNVIBLQOKLOLB-BRRVFRNMSA-N 387.480 3.849 0 40 GHAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1)C1CC1 12889390 RMJHDWBAVFMOLN-OAHLLOKOSA-N 397.500 3.588 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1C(=O)O 12981442 OXRWTHLUEPPFQW-UHFFFAOYSA-N 391.779 3.749 0 40 GHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCN1C(=O)COc2ccccc21 13010219 UKGZZFQZPBGSGY-HNNXBMFYSA-N 378.428 3.768 0 40 GHAB CC[C@@H](C)N1CCC(=O)N(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 13020347 IFJIVYUYNKVZEJ-XLIONFOSSA-N 396.487 3.546 0 40 GHAB CCCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccccc1OC 13479906 WHSILBDWQTYIAI-UHFFFAOYSA-N 380.444 3.879 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1Cl 13674258 QHTAERXQEZBXNE-HNNXBMFYSA-N 381.881 3.929 0 40 GHAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(Cc1ccccc1F)C1CC1)C2=O 14245566 ZEQUGDVVFPFCSL-QRQCRPRQSA-N 387.499 3.884 0 40 GHAB CC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccc(Br)cc2)cc1 14250677 HSGLAKWTRHJKKZ-LBPRGKRZSA-N 375.266 3.941 0 40 GHAB CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)CC(C)C 14826989 KNGWIQNCSUFYHU-UXHICEINSA-N 388.416 3.526 0 40 GHAB biogenic,in-vitro O=C(CSc1ccccc1C(=O)O)Nc1nnc(Cc2ccccc2)s1 15108601 NFHMSLVHJBQXBW-UHFFFAOYSA-N 385.470 3.558 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC(Cc4ccccc4)CC3)ccc12 15180218 XZRNOYMQRRHQSP-UHFFFAOYSA-N 391.467 3.962 0 40 GHAB COc1ccc(CNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1OC 17298849 KNBWVIDRXKISFK-UHFFFAOYSA-N 387.436 3.621 0 40 GHAB CCc1ccc([C@@H](NS(=O)(=O)c2c(C)noc2C)c2cccs2)cc1 17332546 GLPIPGAXFOTMFP-QGZVFWFLSA-N 376.503 3.983 0 40 GHAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N1CC[C@H](C)Sc3ccccc31)C2=O 17525704 OBLBBIQPSAQLCO-HNNXBMFYSA-N 394.496 3.899 0 40 GHAB Cc1nc2nc(C(=O)N[C@@H](C)c3nc4ccccc4s3)cc(C(C)(C)C)n2n1 19286776 YFTKCLKFJGMTLY-NSHDSACASA-N 394.504 3.831 0 40 GHAB CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)C(C)(C)C)C1 19528338 JPKXIOBDPHCUTO-HSZRJFAPSA-N 397.519 3.675 0 40 GHAB Cc1nonc1-c1csc(NC(=O)Cc2csc(-c3ccccc3)n2)n1 19665399 REULLPMXBZSDME-UHFFFAOYSA-N 383.458 3.806 0 40 GHAB CCOc1ccc(NC(=O)C[S@@](=O)Cc2ccc(Br)cc2)cc1 19772411 HVSLVJOLHQLQSA-HSZRJFAPSA-N 396.306 3.735 0 40 GHAB COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCOCC2)c(N)c1 20154075 CYQVEENJSVVUHR-UHFFFAOYSA-N 377.444 3.520 0 40 GHAB COCCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccccc1F 21782797 SFJJUUXDQXDMJW-NRFANRHFSA-N 395.434 3.812 0 40 GHAB CC(C)(CNC(=O)c1ccccc1SCc1cccs1)N1CCOCC1 21911104 FSONDTQHUDZNBN-UHFFFAOYSA-N 390.574 3.881 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccccc1CN1CCCC1 24190138 LCFAGJZIUCKHBQ-UHFFFAOYSA-N 382.552 3.611 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 25071565 RDEHIZIYQLDYHA-AWEZNQCLSA-N 387.863 3.934 0 40 GHAB O=C1COc2ccc(C(=O)CSc3nccn3-c3cccc(Cl)c3)cc2N1 26047725 XSLYNQFZXTUWFL-UHFFFAOYSA-N 399.859 3.832 0 40 GHAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1N1CCCC1=O 26776699 ZBSURAGQSBKDEG-UHFFFAOYSA-N 385.423 3.566 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1Cl 30061242 VKYGYFATMXSYBL-UHFFFAOYSA-N 392.908 3.573 0 40 GHAB COc1ccc(-c2nc(CN3CCN(C(=O)CC(C)(C)C)CC3)cs2)cc1 30568466 HXIVLIAEGUMSKD-UHFFFAOYSA-N 387.549 3.899 0 40 GHAB Cn1ccs/c1=N\C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 30991344 ARSYQIIKEQURHR-MNDPQUGUSA-N 377.878 3.795 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)C1(c2ccc3c(c2)OCCO3)CCCC1 32409863 UUGCFNPDJUWILI-GOSISDBHSA-N 379.456 3.910 0 40 GHAB CCCc1nc(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cs1 32777202 FBHRKGMPIYZILI-UHFFFAOYSA-N 397.591 3.958 0 40 GHAB Cc1nc2ccccc2nc1COC(=O)c1ccccc1OC[C@H]1CCCO1 32850590 FSODXWHPZBCREY-MRXNPFEDSA-N 378.428 3.853 0 40 GHAB COc1ccc([C@@H]2CCCN2CCC(=O)N2CCc3ccccc32)c(OC)c1 32870882 HAQQFRYQMYYJAO-NRFANRHFSA-N 380.488 3.820 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCN(C)C[C@@H]1c1ccccc1 32900431 USFMWLMIXOONNA-OAQYLSRUSA-N 375.472 3.708 0 40 GHAB COc1ccc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1OC 32915740 ISEUXVIKFWQFIA-UHFFFAOYSA-N 388.811 3.605 0 40 GHAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nnc(-c2ccccc2)s1 37111947 YHASBCOZTLSJIL-AWEZNQCLSA-N 386.502 3.660 0 40 GHAB O=C(N[C@H](C(=O)O)c1nccs1)OCC1c2ccccc2-c2ccccc21 38528724 WSMJGKBXDVPSJT-KRWDZBQOSA-N 380.425 3.808 0 40 GHAB COc1ccc(O[C@@H](C)C(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc1 40039285 UJKKMXBPTUFAKA-IFXJQAMLSA-N 399.516 3.949 0 40 GHAB O=C(Cn1ncc(=O)c2ccccc21)Nc1ccccc1N1CCc2ccccc21 40086917 XLSNFYHGTDEVKF-UHFFFAOYSA-N 396.450 3.729 0 40 GHAB CCN(CC)CCN(CC(C)C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 40089848 NQGHUPYURRHFQO-HNNXBMFYSA-N 377.554 3.559 0 40 GHAB CN(C)C(=O)COc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)cc1 40104841 ZZBYHMJEQPYCTL-MSOLQXFVSA-N 375.513 3.880 0 40 GHAB CCn1cc(C(=O)N2CCN(C(=O)/C=C/c3cccs3)CC2)c2ccccc21 40118506 VTPCDXWLOGZVDO-MDZDMXLPSA-N 393.512 3.721 0 40 GHAB Cc1sc(NC(=O)C2CCN(C(=O)N(C)C)CC2)nc1-c1ccc(F)cc1 40129579 UYXXTGQLBHLAHF-UHFFFAOYSA-N 390.484 3.590 0 40 GHAB CN(C)C(=O)c1cc(NC(=O)CCC(=O)c2ccc(F)cc2)ccc1Cl 41616652 RPSZGPHSQRFDFE-UHFFFAOYSA-N 376.815 3.783 0 40 GHAB COc1ccc(CCC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1OC 44848821 HEAUWXAOOVDCRD-UHFFFAOYSA-N 387.476 3.749 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCC[C@H]2CCCC[C@@H]21 48324966 LWMTUWAUVHCGHF-RLLQIKCJSA-N 384.520 3.776 0 40 GHAB Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCc4ccco4)C3)nn2)cc1C 48990703 HPFMJZHIIYZNHR-LJQANCHMSA-N 390.487 3.886 0 40 GHAB Cn1c(CN2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc2ccccc21 49372112 AWJYSSMPRCTWPD-UHFFFAOYSA-N 390.531 3.829 0 40 GHAB CCCc1noc([C@H]2CCCCN2CC(=O)Nc2ccc(F)c(Cl)c2)n1 49411825 VGOHLUNJTQQLMM-OAHLLOKOSA-N 380.851 3.980 0 40 GHAB O=c1cc(CN2CCN(c3ccccc3)CC2)occ1OCc1ccccc1 56949849 PORJMNFPRREIQA-UHFFFAOYSA-N 376.456 3.541 0 40 GHAB CC(=O)N1CCC(C(=O)Nc2ccc3[nH]c(-c4cc(F)ccc4F)nc3c2)CC1 57004020 OXNNAHOEJQLCBO-UHFFFAOYSA-N 398.413 3.705 0 40 GHAB COc1cccc(C(=O)Cn2nc(-c3ccccc3Br)ccc2=O)c1 57486315 QGFQPMHTEBRGRQ-UHFFFAOYSA-N 399.244 3.564 0 40 GHAB O=C(Nc1ccccc1N1CCCCCC1)N1CCN(Cc2ccncc2)CC1 57893785 SGCYCHSQYQTCKW-UHFFFAOYSA-N 393.535 3.812 0 40 GHAB CCOc1ccc([C@@H]2CCCN2Cc2nc(N)nc(Nc3ccccc3)n2)cc1 58146021 BUYUICNPKBFGBR-IBGZPJMESA-N 390.491 3.933 0 40 GHAB CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCOC2)c2c[nH]c3ccccc23)cc1 58208877 VSFUKRVDFFRJBG-PXNSSMCTSA-N 377.488 3.519 0 40 GHAB O=C(OCC(=O)N1CCC[C@@H]1c1cccs1)c1cc(O)c2ccccc2c1O 60656847 ILUIJFDXRAMJSH-MRXNPFEDSA-N 397.452 3.833 0 40 GHAB COc1ccc(CN(C)C(=O)CN(C)Cc2c(F)cccc2Cl)cc1F 61780006 TZIIWCSHUJCZLZ-UHFFFAOYSA-N 382.838 3.717 0 40 GHAB COc1ccc(CN2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c(OC)c1 61997715 ZNRQWTIAMWLGOS-UHFFFAOYSA-N 381.428 3.779 0 40 GHAB biogenic CCn1cc(Br)cc1C(=O)NCc1nc2ccccc2n1CC 65488189 RTLKYRLEFSLYJW-UHFFFAOYSA-N 375.270 3.570 0 40 GHAB O=C(NOCc1ccccc1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 65627943 GNSAHKSJNXEGMQ-CYBMUJFWSA-N 379.243 3.594 0 40 GHAB O=C(NC1CC1)N(Cc1ccccn1)Cc1ccc(Br)cc1F 65983338 QFVKLONXZGYOHY-UHFFFAOYSA-N 378.245 3.857 0 40 GHAB COc1ccc(-c2cc3c(=O)n(Cc4ccc(C)c(C)c4)ccn3n2)cc1OC 67260801 XUJDLSLFVFUKDL-UHFFFAOYSA-N 389.455 3.845 0 40 GHAB CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 72378855 SXAHWHVYLPQJGQ-QGZVFWFLSA-N 378.451 3.989 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)n1 72384298 QOIORCVVDHAJIO-SFHVURJKSA-N 377.448 3.678 0 40 GHAB COc1cccc(CN2CCC(c3cc(O)nc(-c4ccncc4)n3)CC2)c1 72392696 GRJLOEODKNPNEU-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB COc1ccc(CNC(=O)c2cc(C(C)C)nn2-c2ccccc2)cc1OC 72403409 RUCSRKCIVYWBKA-UHFFFAOYSA-N 379.460 3.943 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cnc(Cl)c(Cl)c2)c1 84210769 KYMSZFDGBJWKRZ-AWEZNQCLSA-N 396.299 3.851 0 40 GHAB Cc1cc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)c(Cl)cc1Cl 90560598 KNGKTPNIXKVAMF-UHFFFAOYSA-N 388.320 3.599 0 40 GHAB Cn1cc(-c2cccs2)nc1CCNC(=O)c1ccccc1Br 90606963 LRZMTAUADMNNGR-UHFFFAOYSA-N 390.306 3.884 0 40 GHAB COc1cccc([C@H]2CN(C(=O)c3cc(C)oc3-c3ccccc3)C[C@@H]2N)c1 91593888 LVDPBGZJAWQEQR-RTWAWAEBSA-N 376.456 3.831 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 95531886 PEJXTLNZRZRCNI-VSKRKVRLSA-N 384.435 3.733 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 222440743 NIMVDVGQLUSQHA-SFHVURJKSA-N 382.504 3.661 0 40 GHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 222845050 HPAVQLKLZPAUPI-UXHICEINSA-N 377.517 3.707 0 40 GHAB COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222916743 BPQZXRIJLUZUEB-PMACEKPBSA-N 386.565 3.775 0 40 GHAB CN1Cc2ccc(NC(=O)C[C@H](CC(=O)O)c3ccc(Cl)cc3)cc2C1=O 223106544 JNKUVZNULLAOFO-CQSZACIVSA-N 386.835 3.513 0 40 GHAB Cc1ccc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 224513686 HHQQVJNPJNVTLL-HXUWFJFHSA-N 396.531 3.606 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2F)cc1C 224654733 UFIMMSKAGYYBEO-UHFFFAOYSA-N 388.258 3.730 0 40 GHAB Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCNc1ccccc1 225049899 GQZOCXCGMCXFFL-RTWAWAEBSA-N 391.544 3.895 0 40 GHAB O=C(NCC1CCN(c2cccnc2)CC1)c1ccc(OC(F)(F)F)cc1 225655288 SDTCRJAOTVOZLN-UHFFFAOYSA-N 379.382 3.627 0 40 GHAB O=C(c1ccc2c(c1)C1(CCCC1)CN2Cc1ccncc1)N1CCC(O)CC1 247959027 PBGCRNNKIPDRSN-UHFFFAOYSA-N 391.515 3.511 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3F)o2)n1 257220643 DLOSAIVHNFFRSD-IBGZPJMESA-N 382.439 3.582 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)c(Br)c2)NC(=S)N1 408606845 RHNVWQYHYOVIKG-AWEZNQCLSA-N 383.311 3.502 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NC1CCCCC1 408977960 GIRNYMGHTUTHGP-SFHVURJKSA-N 376.497 3.545 0 40 GHAB O=C1CC[C@@H](c2cccc(N[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)c2)N1 515223233 CCKQBQRLMREHCN-ZWKOTPCHSA-N 387.842 3.648 0 40 GHAB O=C(c1ncn(-c2ccccc2)n1)N1CCC(c2nc3c(s2)CCCC3)CC1 574391832 XGPGKSLCZJPQFF-UHFFFAOYSA-N 393.516 3.622 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC[C@@H](Oc2ccncn2)C1 575607254 AXNVPBHIHHIDNT-HXUWFJFHSA-N 388.471 3.819 0 40 GHAB COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc2cnc(C)n2c1 585080959 GSUJOISMWXJLCF-UHFFFAOYSA-N 394.475 3.519 0 40 GHAB C[C@H](NC(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)c1nccn1C 585100213 HKSKPHWTFJNSAM-AWEZNQCLSA-N 397.504 3.637 0 40 GHAB CCOC(=O)c1nc(=NCc2cccc(-c3cnco3)c2)cc(C(C)(C)C)[nH]1 585139173 GFTZIKJKTGJREA-UHFFFAOYSA-N 380.448 3.640 0 40 GHAB CCOCCOc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1 585271731 GYXDCZJJNAEHSJ-HSZRJFAPSA-N 385.504 3.508 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)Cc2cc(F)ccc2OC(F)F)cc1 657261015 PZQGGAUTNKJGCY-UHFFFAOYSA-N 399.390 3.528 0 40 GHAB O=C(N[C@H](CC1CC1)c1cc(F)cc(Br)c1)N1CC[C@@]2(O)C[C@H]2C1 664720955 VJNQGHSMTRWSPR-FDQGKXFDSA-N 397.288 3.596 0 40 GHAB CO[C@@H](c1noc(-c2c(C3CC3)cnn2C)n1)c1ccccc1Br 664915712 IPVGEZABLWSVLJ-OAHLLOKOSA-N 389.253 3.846 0 40 GHAB O=C(NCC1(c2ccc(F)cc2Cl)CC1)N1CCC[C@@H](n2ccnc2)C1 677997383 ZJDNXNVTZKIDBA-OAHLLOKOSA-N 376.863 3.754 0 40 GHAB C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc3ncnc(O)c23)cc1 1596786106 SYJKVQAWORHYSA-CQSZACIVSA-N 390.443 3.602 0 40 GHAB O=C1CO[C@@]2(CCCN(CCc3ccccc3)CC2)CN1c1ccc(F)cc1 2037840823 SLGJQXWNKPUWCU-HSZRJFAPSA-N 382.479 3.656 0 40 GHAB COC(=O)c1cc2c(nc1-c1cccnc1)CCN(CCc1ccccc1)CC2 2055782042 BOJYBRBPILYQDK-UHFFFAOYSA-N 387.483 3.574 0 40 GHAB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1OC 803116 DOTPQRYUNQHMCK-LSDHHAIUSA-N 385.855 3.677 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c1 935457 CVRSDTIGWLPANK-LLVKDONJSA-N 380.238 3.872 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2C[C@@H]2CCCO2)c1 1364616 DNOPEFDSUIPDKI-KRWDZBQOSA-N 386.521 3.682 0 40 GHAB CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@@H]1c1ccc(Cl)cc1Cl 1392222 LCZLNMFWMGYHGF-SECBINFHSA-N 382.165 3.976 0 40 GHAB Cc1ccnc(NC(=O)CSc2nnc3c4ccccc4n(C(C)C)c3n2)c1 1436966 HYGRQAWZXDZWRN-UHFFFAOYSA-N 392.488 3.995 0 40 GHAB CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1 2149084 QHTBQUSZUMRWDO-GOSISDBHSA-N 395.411 3.794 0 40 GHAB biogenic CC(C)Cc1nc2oc3c(N4CCOCC4)ncnc3c2c2c1COC(C)(C)C2 2227284 MTMUXZKSGSHGFB-UHFFFAOYSA-N 396.491 3.657 0 40 GHAB CCOC(=O)c1cccc(C(=O)c2ccccc2I)c1 2392601 XUUIPZYODDWZDO-UHFFFAOYSA-N 380.181 3.699 0 40 GHAB Cc1ccc(/C=C/C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)o1 2647179 WATUGSOHTZRPIM-VOTSOKGWSA-N 382.243 3.810 0 40 GHAB Cn1ncc2c1ncn1nc(-c3cccc(COc4ccc5c(c4)CCC5)c3)nc21 2800206 BWGLBSMJFZVJNS-UHFFFAOYSA-N 396.454 3.746 0 40 GHAB CC(=O)[C@@H]1C[C@H](CC(=O)NC(=O)Nc2ccc(Br)cc2)C1(C)C 3171954 HOWPMEDKYHYTGO-RISCZKNCSA-N 381.270 3.739 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)cc1 3242604 SUGPNTQHAVKRPH-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB O=C1CCCN1C(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 3298330 HOGJTILIOUMEHW-UHFFFAOYSA-N 399.903 3.979 0 40 GHAB O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1cc2c(s1)CCC2 3325197 ZHKSOPPHLCKPRU-UHFFFAOYSA-N 386.498 3.771 0 40 GHAB COCCCNC(=O)COc1ncnc2scc(-c3ccc(Cl)cc3)c12 3377061 FAKOQAZHVGHDBH-UHFFFAOYSA-N 391.880 3.543 0 40 GHAB Cc1sc2nc(-c3cccnc3)nc(NCCCN3CCCC3=O)c2c1C 3440154 UQHJQBMOXCCQOJ-UHFFFAOYSA-N 381.505 3.795 0 40 GHAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1ccc(Cl)cc1 4327683 ABKOLDATWUDZQL-UHFFFAOYSA-N 396.863 3.571 0 40 GHAB CCN(C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(OC)cc1 4374406 NLEXBHSURTYSFW-OAHLLOKOSA-N 387.867 3.690 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 4496187 JUPWLTTYOGLEFW-UHFFFAOYSA-N 386.498 3.921 0 40 GHAB COC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OC)C1c1ccc(C)cc1 4672907 KXIUZMHEQWKPQY-UHFFFAOYSA-N 377.440 3.708 0 40 GHAB COc1ccc2sc(N(CCN(C)C)C(=O)CCc3ccccc3)nc2c1 5121532 XGQKRTXPBXYRBQ-UHFFFAOYSA-N 383.517 3.832 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C23CC4CC(CC(C4)C2)C3)c1C 5127209 DIAVGXXXKQQNKY-QRYOHXEKSA-N 387.476 3.749 0 40 GHAB C[C@H](OC(=O)c1ccc(OC(F)(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 5361338 RZPBOAWFEUZBQT-JTQLQIEISA-N 378.306 3.740 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cccc(Br)c1 5676637 JMONCQUWSFRRNJ-AWEZNQCLSA-N 390.277 3.743 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)c1ccc[nH]1 6476363 VGEJBDYVKKBEPC-UHFFFAOYSA-N 379.416 3.828 0 40 GHAB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl 6604752 DXPCVTRNWXCOGB-BQYQJAHWSA-N 395.242 3.901 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)cc1 6680736 XAUSYGVOZYSLJI-UHFFFAOYSA-N 378.519 3.874 0 40 GHAB CCOc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 6789223 FNIQHIFXPIHMAQ-UHFFFAOYSA-N 383.835 3.845 0 40 GHAB Cc1noc(C)c1CCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 7522658 LLCWSZODZWKBLP-UHFFFAOYSA-N 384.263 3.628 0 40 GHAB O=S(=O)(Nc1ccccc1Cl)c1cccc(NC(=S)NC2CC2)c1 7526300 XDRMJXFDBFWOGN-UHFFFAOYSA-N 381.910 3.590 0 40 GHAB CCOc1ccc(N/C(CC)=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 9111122 RSXIDLYXCCLFOH-ISLYRVAYSA-N 385.464 3.572 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cc3ccccc3o2)CC1 10212983 NZWRNPFHOJDKPO-UHFFFAOYSA-N 392.411 3.652 0 40 GHAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 10253606 YAHGRQXKEDSZMJ-UHFFFAOYSA-N 387.486 3.640 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1 10842250 OWMMWRGWMSBFRH-UHFFFAOYSA-N 391.445 3.859 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(C(F)(F)F)cc1 11161801 INCHYHHOCKNPLZ-GFCCVEGCSA-N 377.366 3.881 0 40 GHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc2ccccc2oc1=O 11251896 GDFHEJTYFUDLIL-UHFFFAOYSA-N 391.345 3.802 0 40 GHAB Cc1ccccc1-c1noc([C@H](C)NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)n1 12201107 JPWOFXZNJGUMNN-NYHFZMIOSA-N 390.443 3.806 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CNc3cc(Cl)cc(Cl)c3)ccc21 12768845 JCALRQKFSWSLGW-UHFFFAOYSA-N 378.259 3.953 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 12855787 KUSFPDKUPXQUHO-ZDUSSCGKSA-N 392.908 3.926 0 40 GHAB CC(C)n1ncc2cc(C(=O)Oc3ccc4c5c(c(=O)oc4c3)CCC5)cnc21 12909579 HHGWTUZDSPETMH-UHFFFAOYSA-N 389.411 3.827 0 40 GHAB COc1ccc(Cl)cc1-c1nc(S)n(CN2CCc3sccc3C2)n1 12924922 FAINCACZRGTQHD-UHFFFAOYSA-N 392.937 3.973 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C 13012098 OVBOQINRYILNKS-UHFFFAOYSA-N 385.423 3.956 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(Cc2ccc(OC(C)C)cc2)c2c(C)cc(C)cc21 13568763 ORVLYHBKNPZAGK-QHCPKHFHSA-N 381.472 3.804 0 40 GHAB COc1ccccc1N1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 14049705 DFFAYVLPJWUWOH-UHFFFAOYSA-N 391.471 3.632 0 40 GHAB O=C(c1cccc(-n2cnnn2)c1)N(CCc1cccs1)Cc1cccs1 14068504 SFGOLPJECVHDKA-UHFFFAOYSA-N 395.513 3.670 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)NC[C@@H](c3cccs3)N(C)C)c12 14199548 BBDVNFJGAZAZNQ-HNNXBMFYSA-N 396.472 3.885 0 40 GHAB CCCn1c(=O)n(CC(=O)N[C@H](C)c2cc3ccccc3o2)c2ccccc21 14350338 ZNFWXPIZZCJOFU-OAHLLOKOSA-N 377.444 3.837 0 40 GHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)C1 15349333 QNYPKLHWRGHWPL-CALCHBBNSA-N 386.517 3.630 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cncc(Br)c2)c1 15827566 XTSWYQZHETULJW-MRXNPFEDSA-N 391.265 3.839 0 40 GHAB Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)N2CCCCC2)o1 15860170 CWGNWOZSGDPXNH-SFHVURJKSA-N 376.884 3.964 0 40 GHAB CC(C)c1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 16976811 BXXSPPVSKCLUPK-UHFFFAOYSA-N 398.478 3.752 0 40 GHAB Cc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3=O)c2c1 18244416 SADQQPUWKZWRTI-OAQYLSRUSA-N 375.472 3.557 0 40 GHAB Cc1cc(-c2cnc(C)nc2CN(Cc2ccccc2)C(=O)c2ccccn2)on1 19123597 MVMMPYYRBJHLRP-UHFFFAOYSA-N 399.454 3.986 0 40 GHAB CC(C)Oc1cccc(CN2CCc3nc([C@@H]4CCCCN4C)ncc3C2)c1 19450891 ZRALYEXEBQLCPX-QFIPXVFZSA-N 380.536 3.979 0 40 GHAB COc1ccccc1-c1nnc(NC[C@H]2CCCO2)nc1-c1ccccc1OC 19571532 UDRXNKHEXHEMRW-OAHLLOKOSA-N 392.459 3.814 0 40 GHAB COc1ccc([C@H]2CN(C)[C@@H]3CCCN(C(=O)CCc4ccccc4)[C@H]23)cc1 19590779 ZJVGIIUXKACSMZ-CQOQZXRMSA-N 378.516 3.717 0 40 GHAB CC(C)c1ccc(C[C@H](C)CN2CCC(Cc3nn(C)cc3C(N)=O)CC2)cc1 19756508 BQGUCVKYLIYRQN-SFHVURJKSA-N 396.579 3.776 0 40 GHAB O=C(c1cc2c(s1)CCCCC2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20902258 ZOZKGLDKJWTWOB-UHFFFAOYSA-N 398.528 3.704 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 22514582 QWVQXDLOTJKWHS-UHFFFAOYSA-N 392.908 3.826 0 40 GHAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N(C)Cc1ccc(OC(F)F)cc1 23296683 RUDOJFXYLURHJG-MRXNPFEDSA-N 396.459 3.763 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(O)c3c(C)cc(C)nc3n2)cc1 24754740 FCMOKMWWGQEEEN-ZDUSSCGKSA-N 396.472 3.669 0 40 GHAB Cc1cc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)ccc1Br 24767494 CJZLSQZCXBJRAK-UHFFFAOYSA-N 389.171 3.577 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NCCc1cccc2cccnc12 24840976 GCCHAFNRKFAFPS-UHFFFAOYSA-N 378.520 3.996 0 40 GHAB Sc1nnc(COc2cccc(Br)c2)n1Cc1ccccc1 27579321 OBGIQDNGALYSKC-UHFFFAOYSA-N 376.279 3.957 0 40 GHAB CCCCCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 28207094 KYHFDSPSCGLFHS-INIZCTEOSA-N 386.517 3.747 0 40 GHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1ccn(COc2ccc(F)cc2F)n1 28244252 SBEGGBYFMLADGH-UHFFFAOYSA-N 395.369 3.840 0 40 GHAB CCN(CC)CCn1/c(=N/C(=O)[C@H]2C[C@H]2c2ccccc2)[nH]c2ccccc21 28305571 SYSPJOSGUHVHJH-OALUTQOASA-N 376.504 3.542 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)cc1OC 28305793 UUKJRQAVZSJYFI-OAHLLOKOSA-N 386.473 3.534 0 40 GHAB CCOc1ccc2nc(NC(=O)CCNC(=O)NCc3ccccc3)sc2c1 32868981 GXNBHXVKWJEZKC-UHFFFAOYSA-N 398.488 3.523 0 40 GHAB CSCC[C@@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1nc2ccccc2[nH]1 32990898 BPZSKSMRKUXRCA-MSOLQXFVSA-N 395.484 3.775 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)Nc1c(O)[nH]c2ccccc2c1=O 36614887 VDINTBFJVMKKTP-UHFFFAOYSA-N 379.199 3.558 0 40 GHAB Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)[C@@H](C)Oc1ccccc1 39983355 XNTOJVNPNUVXMT-QGZVFWFLSA-N 382.460 3.544 0 40 GHAB COc1ccccc1[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1nccn1C 40013294 JMKKFOKIFHRCSC-HSZRJFAPSA-N 389.499 3.756 0 40 GHAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(O)c(OC)c2)c1 40266647 LVCZUTICWRRVAW-CQSZACIVSA-N 395.415 3.727 0 40 GHAB CC1(C)Cc2c(sc3c2c(N)nc(=O)n3Cc2ccc(Cl)cc2)CO1 40267419 DUIVLXYGQTUCIC-UHFFFAOYSA-N 375.881 3.593 0 40 GHAB COc1cccc(-c2c3c(=O)n(C4CCCC4)ccc3nc3nc(C)nn23)c1 40398475 WSNCVZWEZWPLFP-UHFFFAOYSA-N 375.432 3.538 0 40 GHAB Cc1cc(NC(=O)C2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)no1 41864365 ICGCMVSDRHQOTN-UHFFFAOYSA-N 382.247 3.781 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)SCc2ccccc2)c(OC)c1OC 44484422 NPRINZFTAHUHIP-AWEZNQCLSA-N 375.490 3.651 0 40 GHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 44687230 HGWLMKZXUCIRAO-SFHVURJKSA-N 395.434 3.717 0 40 GHAB Cc1noc(-c2csc(S(=O)(=O)N3CCOc4ccccc43)c2)c1C 44922276 NFVASLMILFXDPD-UHFFFAOYSA-N 376.459 3.608 0 40 GHAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OCC(N)=O)cc1 46198165 YQTAJIXUFBFYDN-MRXNPFEDSA-N 390.439 3.624 0 40 GHAB Cc1cc2cc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)ccc2[nH]1 46694256 DKXUVFAJDJCRHV-UHFFFAOYSA-N 382.485 3.768 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3(c4ccccc4)CCC3)C2)nc1 46819352 RFUJCKNPTUPBCF-SFHVURJKSA-N 377.488 3.689 0 40 GHAB CCc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 48341146 WLICTTLTNSEVSA-CQSZACIVSA-N 398.937 3.756 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)Cc2sc(S)nc2C)c(OC)c1 53692647 LPULYMHHZLEBAA-CQSZACIVSA-N 378.519 3.664 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c(C)c1 57486164 YVMUFMQPSPRGOE-UHFFFAOYSA-N 393.531 3.625 0 40 GHAB CCOc1cc(/C=C/C(=O)NCCCC(=O)OC)ccc1OCc1ccccc1 62715441 RXEPUUQWJAAZOK-WYMLVPIESA-N 397.471 3.747 0 40 GHAB COc1cc(NC(=O)c2sc(C(C)C)nc2C)ccc1N1CCOC1=O 63707189 IYEXQPDSRUYODA-UHFFFAOYSA-N 375.450 3.792 0 40 GHAB CC(=O)c1c(C)n(CC(=O)NCc2ccc3c(c2)OCCCO3)c2ccccc12 64987330 MIQYGXHIUSIOQC-UHFFFAOYSA-N 392.455 3.630 0 40 GHAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)OCCO4)n2)n1 68049779 ZNFUDMOTGDQRNS-UHFFFAOYSA-N 384.823 3.561 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)CNc1ccc(C(F)(F)F)cc1)OCO2 69578638 NLOVYQFZINDLSG-UHFFFAOYSA-N 380.322 3.687 0 40 GHAB Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2cccc3ccccc23)cc1Cl 70636227 HNGMHWQBMMYJPU-LJQANCHMSA-N 382.847 3.590 0 40 GHAB CCCCO[C@@H]1C[C@H](N(C)C(=O)c2sc(-c3cnn(C)c3)nc2C)C1(C)C 72310269 FXSBTWBHIZKQEX-JKSUJKDBSA-N 390.553 3.908 0 40 GHAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2ccccc2)nc1C 72345499 HEPUJBNVGWSMQH-IBGZPJMESA-N 380.492 3.634 0 40 GHAB O=C(Cc1ccncc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72358833 DAMBNNGNXMVOTC-GOSISDBHSA-N 376.435 3.626 0 40 GHAB COc1cccc(C(=O)N2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c1 72375140 BHITWSLAMIBADC-SFHVURJKSA-N 375.432 3.601 0 40 GHAB CNC(=O)c1cccc(-c2noc(C3CN(Cc4cccc5ccccc45)C3)n2)c1 77099594 DNZHTOMDJPIRRT-UHFFFAOYSA-N 398.466 3.849 0 40 GHAB O=C(COc1ccccc1F)NCc1ccc(C(=O)c2cccs2)s1 90610562 ADDSUXADSHDYCO-UHFFFAOYSA-N 375.446 3.875 0 40 GHAB COC(=O)Cn1ncc2c(N3CCCC[C@H]3c3ccc(C(C)C)cc3)ncnc21 95449530 XPDNBHJPWILDSN-IBGZPJMESA-N 393.491 3.854 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3ncncc3Cl)sc2C)cc1OC 95964102 XEYOYJUQQWBRLT-UHFFFAOYSA-N 390.852 3.831 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc4c(c3)OCCO4)nnc12 100476978 LTYKBTICHGLVIU-ZSEKCTLFSA-N 397.500 3.793 0 40 GHAB CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 102726858 CHDOAUOMIZFFEO-QGZVFWFLSA-N 384.480 3.980 0 40 GHAB C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(OC(F)F)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 103028418 MHJOGDJMUSFXMV-VNSSVHEPSA-N 381.419 3.774 0 40 GHAB O=C(NCCOc1ccccc1)NCc1ccc(C(=O)c2ccsc2)s1 211085436 QKBROYDDUHCADN-UHFFFAOYSA-N 386.498 3.919 0 40 GHAB CC(C)C(NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)C(C)C 222530312 XHGUHGJQZKQFFE-UHFFFAOYSA-N 388.533 3.922 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1 223084675 MQNXHTJGYWBBHT-IRXDYDNUSA-N 386.467 3.537 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 223124485 RVGJOOYFVXTMPB-HNNXBMFYSA-N 384.451 3.564 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(C)c(C)c3)n2)c1 223234962 NOVQLPVSUAYNPE-UHFFFAOYSA-N 379.460 3.953 0 40 GHAB O=C(O)c1ccc(F)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 223368490 QBEVHUZWHGSMAP-UHFFFAOYSA-N 397.733 3.997 0 40 GHAB CC[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)c1ccc(OC)c(C)c1 224812675 PXDXWLMZQYKBNM-KRWDZBQOSA-N 390.505 3.565 0 40 GHAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)COc1ccccc1Cl 225244330 RINITQUJMNNXGR-VCHYOVAHSA-N 377.897 3.643 0 40 GHAB COC(=O)c1cc(NC(=O)c2cc(C(C)C)c(OC)cc2C)cc(C(=O)OC)c1 225664578 LAAQTBJASDTFKC-UHFFFAOYSA-N 399.443 3.953 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C 225699326 PMGYQMLXNPHOTF-FQEVSTJZSA-N 382.504 3.706 0 40 GHAB O=C1N[C@]2(C[C@H]3CC[C@H]2N3Cc2cccc(C(F)(F)F)c2)Nc2ccccc21 247847355 FFWDEVNQJNYZOE-ZTNFWEORSA-N 387.405 3.994 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)c3cscn3)CC2)ncn1 257268566 MMGCWZWUBQXBIS-OAHLLOKOSA-N 397.504 3.690 0 40 GHAB C[C@H](C(=O)NC(C)(C)C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409027081 XCFBJAVGIPIEKN-OAHLLOKOSA-N 390.505 3.548 0 40 GHAB C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2ncccc2Cl)CC1 528384207 WGCXVLCREWRRFV-CYBMUJFWSA-N 389.912 3.725 0 40 GHAB C/C(=C\c1ccccc1)C(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 575414945 SOLGBNVBPLCLAU-UHPIZROJSA-N 387.476 3.617 0 40 GHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1ccc(Cl)s1 575610069 JXLXWSYIRFEXFT-SNVBAGLBSA-N 389.907 3.735 0 40 GHAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(Cc2cccc3[nH]ccc23)CC1 583615903 MLPQGJBURIJKQJ-LJQANCHMSA-N 396.491 3.930 0 40 GHAB Cn1nccc1CN1CCC[C@H]1c1csc(NC(=O)c2ccc(F)cc2)n1 585295302 UCDIRWPDCKWDOG-KRWDZBQOSA-N 385.468 3.605 0 40 GHAB COc1cccc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)c1OC 655265149 HRNBNIIAODBSJE-UHFFFAOYSA-N 377.444 3.667 0 40 GHAB CCOc1ccc(S(=O)(=O)NCC(c2ccco2)c2ccco2)cc1C 669650179 IKDIDIAMSSNQOR-UHFFFAOYSA-N 375.446 3.690 0 40 GHAB Cc1c(C(=O)Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)oc(=O)c2ccccc12 1530794847 LTMRGKTYJCLCOG-LBPRGKRZSA-N 376.412 3.824 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2sc3c(c2c1=O)CCCC3=O 784581 OOFHZFJTPVHFPO-UHFFFAOYSA-N 391.452 3.690 0 40 GHAB COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 983200 ONJSYNYCTDPSMU-UHFFFAOYSA-N 390.288 3.532 0 40 GHAB CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O 1359247 JBYHBLLPRVRSGE-UHFFFAOYSA-N 378.428 3.504 0 40 GHAB C[C@@H]1CCCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)C1 2664422 UZHPPHXHWWJVIJ-BEFAXECRSA-N 395.528 3.829 0 40 GHAB COc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 3451244 GGCSCXZLHKYVDY-UHFFFAOYSA-N 385.338 3.749 0 40 GHAB CSc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 3474350 CYJBLYKLFZXLLO-SNVBAGLBSA-N 393.848 3.975 0 40 GHAB Cc1ccccc1-c1nc2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2n1 3637187 LKXWMAMKRIVMBS-AQTBWJFISA-N 375.497 3.972 0 40 GHAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3)cc12 4231246 ODNMYRHQIJENFJ-UHFFFAOYSA-N 392.503 3.741 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4373903 KVALFSCIYWLONX-CYBMUJFWSA-N 397.328 3.651 0 40 GHAB Cc1nnc2ccc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nn12 4377158 LCECOADABOXHLV-UHFFFAOYSA-N 398.220 3.708 0 40 GHAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccccc2F)cc1 4463889 GJYBIKBSAWUUKJ-UHFFFAOYSA-N 398.390 3.805 0 40 GHAB COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)Nc2ccc(OC)cc2)cc1 4697303 JSRSHQJCNXRJKF-RWFYYTQISA-N 392.455 3.719 0 40 GHAB CC[C@H](C)NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 4995881 WRXKQDXJMLROFT-AWEZNQCLSA-N 394.924 3.758 0 40 GHAB CNC(=O)NC(=O)[C@@H](Oc1ccc(Cl)cc1Br)c1ccccc1 5049118 IGCYRPWKPOLOQM-AWEZNQCLSA-N 397.656 3.678 0 40 GHAB Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1-n1cccc1 5223843 NOOOKWWRNINBAB-UHFFFAOYSA-N 382.276 3.737 0 40 GHAB COc1cc(C=O)ccc1OCC(=O)Nc1ccc(Br)cc1C 5960418 MIPHJAGOQNQHFC-UHFFFAOYSA-N 378.222 3.596 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(Br)cc1 6310185 JGTPWOMBKRVDOD-MRXNPFEDSA-N 377.282 3.999 0 40 GHAB COC(=O)c1ccc2nc(NC(=O)COc3ccc(Cl)cc3)sc2c1 6441055 QAOAJNFOLIMURT-UHFFFAOYSA-N 376.821 3.754 0 40 GHAB CC(=O)c1sc2nc(CSc3nc4ccc(C)cc4[nH]3)[nH]c(=O)c2c1C 6537067 YZWQWJPDEIYELH-UHFFFAOYSA-N 384.486 3.973 0 40 GHAB CN(C)CCn1cnc2c(c1=N)[C@@H](c1ccccc1Cl)c1ccc(O)cc1O2 6661006 BZZHNBOVVHBYHL-SFHVURJKSA-N 396.878 3.569 0 40 GHAB COc1ccc(Br)c(C(=O)N2CCN(c3ccccc3F)CC2)c1 6911240 DYPIIUJYTDWKCM-UHFFFAOYSA-N 393.256 3.559 0 40 GHAB CCCn1nnnc1COC(=O)COc1ccc(-c2ccccc2)cc1Cl 7081137 ZGECXXBXOGJIAD-UHFFFAOYSA-N 386.839 3.526 0 40 GHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc2c1OCO2 7112994 LNXHCQSODFNJGY-HXUWFJFHSA-N 378.384 3.784 0 40 GHAB C[C@H](CCc1ccco1)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 8010935 RBJYYTISVDNBTM-MRXNPFEDSA-N 387.439 3.730 0 40 GHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 8192697 DIUGPXFQHYOSHD-QHCPKHFHSA-N 376.456 3.605 0 40 GHAB CCC(=O)c1ccc(OCC(=O)NCc2ccccc2CN2CCCC2)cc1 8230217 TUSWLOOFIVBHQT-UHFFFAOYSA-N 380.488 3.570 0 40 GHAB COC(=O)c1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 8267944 GCOYRAYBVDOZIA-UHFFFAOYSA-N 398.503 3.525 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 8490596 POFBUJZKJJTKPM-OAQYLSRUSA-N 395.846 3.780 0 40 GHAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)CC1 8810722 WIGPFKZFXJBIAV-UHFFFAOYSA-N 394.443 3.638 0 40 GHAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(OC)c(OC)c1 9235352 QBMXFVYOWYRKMJ-UHFFFAOYSA-N 394.471 3.906 0 40 GHAB Cc1ccc(F)cc1NC(=O)CNc1ccccc1C(=O)NCc1ccco1 9368791 DGADZCDVGRFYDG-UHFFFAOYSA-N 381.407 3.708 0 40 GHAB CCCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccccc1C(=O)O 11613996 DPYLZAIDYYMITB-UHFFFAOYSA-N 377.462 3.981 0 40 GHAB COc1cc(C)c(CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)cc1OC 12187417 JTGGPNLDNYQYNO-IBGZPJMESA-N 399.487 3.922 0 40 GHAB COc1ccc(CN2CC[C@@](O)(c3ccccc3)C2)cc1Cc1c(C)noc1C 12364324 BXLDVSFTSKKUSZ-DEOSSOPVSA-N 392.499 3.984 0 40 GHAB COc1ccc2sc(N(Cc3ccccn3)C(=O)c3cc(C)no3)nc2c1 12422300 IEUUXLMQXWNIQU-UHFFFAOYSA-N 380.429 3.843 0 40 GHAB CN1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 12529811 RWZUBCKDALSOAQ-IRXDYDNUSA-N 397.866 3.957 0 40 GHAB biogenic,in-vitro COc1ccccc1[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1nccn1C 12551310 QQMOIKIQYFJSCW-LJQANCHMSA-N 387.842 3.670 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C)c2)cc1F 12604693 WGGGRVRALWOGCI-OAHLLOKOSA-N 390.480 3.950 0 40 GHAB Cc1scc(C(=O)N2CCC(c3cc(C(F)F)n4ncnc4n3)CC2)c1C 12752815 QZNFCPPJVXDWLR-UHFFFAOYSA-N 391.447 3.760 0 40 GHAB CSc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 12993614 HEQLJDNBUAPCCW-UHFFFAOYSA-N 385.514 3.767 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 13001747 CBPVFGQUJKYAIJ-LBPRGKRZSA-N 383.398 3.827 0 40 GHAB CC(C)c1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1 13668853 FXWXKDXELPAUMC-MRXNPFEDSA-N 386.517 3.554 0 40 GHAB COc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccccc1 13991568 MKZKJXKHTUHVQE-UHFFFAOYSA-N 390.439 3.643 0 40 GHAB COc1ccc([C@@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)NC(C)=O)cc1 14043401 GWHKHBLPFLFOIB-WWFGTJDESA-N 384.520 3.595 0 40 GHAB Cc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)n1C 14167626 JKRMUBRBTAGXJE-UHFFFAOYSA-N 385.471 3.570 0 40 GHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN(Cc1ccccc1)CC(F)(F)F)C2=O 14200330 BQXTXJKWSBFFLV-RDTXWAMCSA-N 383.414 3.509 0 40 GHAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccccc1OC(F)(F)F 14242762 FYOSBUPMJLIELB-GHXNOFRVSA-N 377.274 3.658 0 40 GHAB CCOC(=O)N1CCN([C@@H](C)C(=O)n2c3ccccc3c3ccccc32)CC1 14608357 OFXFYYKABUMVBB-INIZCTEOSA-N 379.460 3.597 0 40 GHAB Cc1cccc(Oc2ccc(NC(=O)Cn3nnc4ccccc4c3=O)cc2)c1 16177874 IOGJUWLDIKXZBU-UHFFFAOYSA-N 386.411 3.531 0 40 GHAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 17322228 CKPVWQIKRNZMSO-UHFFFAOYSA-N 388.533 3.547 0 40 GHAB Cc1cccc2c(C(=O)NCCCn3ccnc3C)cc(-c3ccncc3)nc12 19236720 GHFOJFDYXCAPJN-UHFFFAOYSA-N 385.471 3.930 0 40 GHAB COc1cccc(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2C)c1 19239635 CYUPEZFNFUECAW-HXUWFJFHSA-N 376.460 3.695 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4cc(C)no4)C3)cc2N1 19520795 VBGDQYAACYLYNO-LALPHHSUSA-N 397.401 3.507 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)NCCCc1nc2cc(F)ccc2[nH]1 19561044 DTZCKFJKGILSDA-UHFFFAOYSA-N 395.463 3.892 0 40 GHAB COc1ccccc1OCc1cc([C@H]2CCN(Cc3cnc(C)s3)C2)n[nH]1 19704292 VXRHSRTVFVUSGE-HNNXBMFYSA-N 384.505 3.752 0 40 GHAB CC(C)C(=O)N1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19761624 XJNINDCGBKFJDH-AWEZNQCLSA-N 394.500 3.916 0 40 GHAB O=C(NCCc1cccs1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 20933860 VPSLAHWISGDEGA-UHFFFAOYSA-N 380.448 3.836 0 40 GHAB O=C(Nc1ccccn1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 21893996 MTYHMEDZFXYYKV-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1N1CCCC1 22987621 LZWUFTRDHODKIS-UHFFFAOYSA-N 380.444 3.660 0 40 GHAB CC(C)c1noc2ncc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)cc12 22989002 HFBIJQMBNRTIOG-OLZOCXBDSA-N 399.422 3.908 0 40 GHAB O=C(NCc1ccccc1)c1c(NC(=O)C2CCOCC2)sc2c1CCCC2 23271270 OAJQYVXSDMTJAC-UHFFFAOYSA-N 398.528 3.922 0 40 GHAB CCC[C@H](NC(=O)[C@H](C)Nc1ccc(NS(C)(=O)=O)cc1)c1ccccc1 23628705 IUPYBNNPBWTWPD-KXBFYZLASA-N 389.521 3.516 0 40 GHAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(Cc2ccccc2)CC1 23866474 POFNPSVCEBRMHN-UHFFFAOYSA-N 386.499 3.708 0 40 GHAB COc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)cs2)cc1 24844218 PECFOHKGYNCSPQ-NRFANRHFSA-N 393.468 3.786 0 40 GHAB CN(Cc1ccc(Br)cc1)Cn1nc(CN2CCCC2)oc1=S 24991001 JOIRQGBBFLCZOZ-UHFFFAOYSA-N 397.342 3.653 0 40 GHAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1cnnn1)c1ccc(Cl)cc1Cl 25537556 RLERULFUZVGTEF-SJKOYZFVSA-N 390.274 3.641 0 40 GHAB Cc1ccccc1-n1ccnc1S[C@@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2 26047118 QEOFOGQMJDVEKH-AWEZNQCLSA-N 393.468 3.875 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(Cc3c(C)noc3C)o2)c1 28243615 RTOLIYQPBMDNEH-LBPRGKRZSA-N 384.432 3.983 0 40 GHAB CCCS(=O)(=O)c1ncc(Cl)c(-c2nnc(-c3ccccc3Cl)o2)n1 28287719 OEDQATAMUUBMLN-UHFFFAOYSA-N 399.259 3.684 0 40 GHAB O=C(/N=c1\[nH]c2ccccc2n1CCN1CCCCC1)[C@H]1C[C@H]1c1ccccc1 28305516 DQNLLBORJSPYNU-PMACEKPBSA-N 388.515 3.686 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)C1CCCC1 30756379 MJGFKOVDEVVLJX-UHFFFAOYSA-N 378.538 3.574 0 40 GHAB C[C@H](c1nc(C(C)(C)C)no1)N(C)CC(=O)Nc1ccccc1Br 31238929 QJPXPLDSQOAQQD-LLVKDONJSA-N 395.301 3.761 0 40 GHAB COc1cc(/C=C/C(=O)Nc2ccccc2N2CCCC2)cc2c1OCCO2 32722111 PYWSVXFLFQHYEP-CMDGGOBGSA-N 380.444 3.719 0 40 GHAB Cc1ccn2c(=O)cc(CSCC(=O)Nc3cccc(Cl)c3C)nc2c1 33026763 GFFSNJQNEPFGQF-UHFFFAOYSA-N 387.892 3.837 0 40 GHAB Cc1csc(CNC(=O)c2cc(Cl)ccc2I)n1 33229858 KYLJNKLZZGIGGF-UHFFFAOYSA-N 392.649 3.640 0 40 GHAB CC(=O)Nc1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CCCCC4)cc1 36360187 OHMVELKYPNNKFO-UHFFFAOYSA-N 395.484 3.568 0 40 GHAB CCN(CCCNC(=O)CSCC(=O)Nc1cccc(C)c1)c1ccccc1 36624963 GLHVZHDSLDRCAF-UHFFFAOYSA-N 399.560 3.700 0 40 GHAB Cc1cc(C(=O)N2CCN(Cc3nc(-c4ccccc4)cs3)CC2)c(C)o1 38488173 XPTFMCHLWYFQJA-UHFFFAOYSA-N 381.501 3.978 0 40 GHAB COc1cccc(-c2nc(C)c(C(=O)NCc3ccc(C(=O)O)cc3)s2)c1 40267505 DFPPMNBANFDHHR-UHFFFAOYSA-N 382.441 3.755 0 40 GHAB CCOc1ccc(N(C(=O)CSc2nnnn2-c2ccccc2)C(C)C)cc1 41124454 QRPBNGDHPLTBBN-UHFFFAOYSA-N 397.504 3.595 0 40 GHAB CN(c1ccc2sc(C(=O)Nc3ccccc3F)cc2c1)S(C)(=O)=O 46058030 TVOHGNHCMHDQGI-UHFFFAOYSA-N 378.450 3.689 0 40 GHAB Cc1ccc(NC(=O)Cn2cnc(-c3noc(-c4ccccc4C)n3)c2)cc1F 49420730 YQZFXAIRHJPFQW-UHFFFAOYSA-N 391.406 3.995 0 40 GHAB O=C(CN1CCC[C@H](COCc2ccccc2)C1)NCc1ccccc1Cl 56908459 BEPBVJHDQMYTJH-IBGZPJMESA-N 386.923 3.885 0 40 GHAB O=S(=O)(NCCc1coc(-c2ccccc2)n1)c1ccc(F)cc1Cl 58159735 UVTXNZQMRSKFQF-UHFFFAOYSA-N 380.828 3.655 0 40 GHAB Cc1cccc(C(C)(C)CNC(=O)NCCNC(=O)c2ccccc2Cl)c1 58172195 PQTMDZXOIHXKBA-UHFFFAOYSA-N 387.911 3.655 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n3c(C)nnc23)cc1 64775138 KMDJHSPYNUAZLJ-UHFFFAOYSA-N 391.456 3.519 0 40 GHAB COc1ccc(Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)cc1F 67258083 POTSFVXWHPZHQD-UHFFFAOYSA-N 396.443 3.718 0 40 GHAB CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)C1 69417924 AKNKOKGSXQYWLC-YOEHRIQHSA-N 378.900 3.602 0 40 GHAB COc1cccc(NC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1OC 70640312 QBOHMZHINOFHFI-CQSZACIVSA-N 384.354 3.578 0 40 GHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCNC(=O)c1ccccc1OC 71844188 JQHRYHDBKXURCL-TZIWHRDSSA-N 394.515 4.000 0 40 GHAB CC(=O)Nc1ccc(CN2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 72378013 UCBMRTOXMBVHHE-SFHVURJKSA-N 394.504 3.972 0 40 GHAB CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1c1c(C(C)C)[nH]c2ncccc12 72395514 TXTDJNXUVIKONP-PMACEKPBSA-N 376.504 3.790 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1C(=O)O 78938816 MXHHVMLNSNNYJU-UHFFFAOYSA-N 377.315 3.652 0 40 GHAB CC(C)[C@@H](NC(=O)C[C@@H]1OCCc2ccsc21)c1nc(-c2cccnc2)no1 95349307 IAQWWAIYXYAOSL-DOTOQJQBSA-N 398.488 3.711 0 40 GHAB Cc1c([C@@H]2SCC(O)=Nc3c2cnn3-c2ccc(F)cc2F)cnn1C 95476939 SQWGNCLDLYFIBX-INIZCTEOSA-N 375.404 3.617 0 40 GHAB Cc1nc(CCC(=O)O[C@H]2CCOC2)oc1-c1ccc(Br)cc1 95951144 DGKSWHPSWABIMK-AWEZNQCLSA-N 380.238 3.677 0 40 GHAB O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1c(F)cccc1Cl 95958456 QQYLNERAVHYKPU-UHFFFAOYSA-N 378.812 3.927 0 40 GHAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C[C@H](CNc3ccccn3)CO2)C1 96075748 KNVNPAUFSTVXNR-HXOBKFHXSA-N 390.487 3.686 0 40 GHAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21)NC1CCC1 96242135 RGBFWRNIUJXYIJ-QGZVFWFLSA-N 392.499 4.000 0 40 GHAB CC(C)Oc1ncc(C(=O)N2c3ccccc3[C@H](C(N)=O)C[C@H]2C)cc1Cl 97159118 IVOPCQWJFOIQFW-IUODEOHRSA-N 387.867 3.530 0 40 GHAB COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)[nH]n2)cc1 98212503 UJCABTXZNURSJM-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB Cc1cc(C(C)(C)C)oc1C(=O)N1[C@H]2CC[C@H]1[C@]1(C2)NC(=O)c2ccccc2N1 100119043 ZIBZBVJSCGFPGN-GJYADEQXSA-N 393.487 3.814 0 40 GHAB CCN(C(=O)c1c[nH]n2c1nc(=O)c1ccccc12)[C@H](C)c1ccc(F)cc1 103396529 UQVZIGGPCZLLTR-CYBMUJFWSA-N 378.407 3.538 0 40 GHAB Cc1ccc(OCC(=O)N2N=C3CC[C@H](C)C[C@@H]3[C@@]2(O)C(F)(F)F)cc1C 169692585 RVELVPCPWJMFKN-GEWABHDNSA-N 384.398 3.568 0 40 GHAB CCCOc1ccc(-n2nc3cc(OCC)c(N)c(Br)c3n2)cc1 216870464 VFDSLLKHYBMWQL-UHFFFAOYSA-N 391.269 3.953 0 40 GHAB CCc1ccc([C@@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218659985 OWVUZDSLPMWCEM-BRWVUGGUSA-N 379.934 3.744 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 219166775 PUCGZJKJSQPQPA-SFHVURJKSA-N 388.533 3.727 0 40 GHAB COc1cccc(CN(C(=O)Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 223052080 ATWCGEQKVSUISC-GOSISDBHSA-N 396.531 3.878 0 40 GHAB Cc1cccc(-c2noc(CN(C)C(=O)COc3ccc4c(c3)CCCC4)n2)c1 223154943 JNSZKEWYKPEZGK-UHFFFAOYSA-N 391.471 3.961 0 40 GHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCOC2CCCC2)cc1 224574681 ILZVSLXCLJJHFW-PGMHBOJBSA-N 396.487 3.824 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224626727 HIWQSGMHUYECNB-GOSISDBHSA-N 382.570 3.874 0 40 GHAB O=C(NCc1ccc(F)cc1)NC[C@@](O)(c1ccsc1)c1cccs1 240122620 WDRRHUYOUGWADI-GOSISDBHSA-N 376.478 3.684 0 40 GHAB Cc1cc2nc3s/c(=C\c4cc(Br)cs4)c(=O)n3c2cc1C 409391434 IDGLAHQPFGXBCB-NSIKDUERSA-N 391.315 3.898 0 40 GHAB CCOC[C@@H]1CN(C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)CCO1 527636085 VVHDOOBDPSAYEA-MNOVXSKESA-N 379.259 3.640 0 40 GHAB C[C@H](NC(=O)NC[C@H]1CCN1C1CCCCC1)c1ccc(N2CCCC2=O)cc1 527699417 HDIWSXDQLOFJTD-LAUBAEHRSA-N 398.551 3.581 0 40 GHAB C[C@@H](N[C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1cc2cccc(F)c2o1 574708493 PJIDDFREROYZRE-XIKOKIGWSA-N 388.464 3.948 0 40 GHAB O=C(c1cnn2c1CCC2)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 576307972 SAZUFEGNROQEQN-AWEZNQCLSA-N 397.866 3.553 0 40 GHAB CC1(C)CN(C(=O)Nc2ccc(F)cc2N2CCOCC2)[C@H]1c1cccnc1 577989336 MRVQQAARPMGIEH-IBGZPJMESA-N 384.455 3.672 0 40 GHAB O=C1C[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)CN1CC(F)(F)F 620337091 QPVBUNADMMMRCM-SFHVURJKSA-N 390.405 3.626 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(C(=O)N2c3ccccc3C[C@H]2C)[nH]n1 665845822 ZYZJZRFZEWKVDL-HUUCEWRRSA-N 386.455 3.593 0 40 GHAB CC1(C)C[C@@H]2CN(C(=O)CCCN3CCCC3)CC[C@@H]2N1c1cccc(F)c1 1615155167 IENYWMNMMLYIQB-NQIIRXRSSA-N 387.543 3.908 0 40 GHAB COc1ccnc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)c1 2037988488 NIJMVQXUNHDVSI-QFIPXVFZSA-N 383.467 3.893 0 40 GHAB COc1ccc2sc(N3CCC[C@@H](C(=O)N4CCC(F)(F)CC4)C3)nc2c1 2298218161 VMUMFMCURBQEOQ-CYBMUJFWSA-N 395.475 3.779 0 40 GHAB CCOc1cc2c(cc1/C=C1/NC(=O)N(c3cccc(Cl)c3)C1=O)OCO2 662020 HWDZMPUGLONSQV-MKMNVTDBSA-N 386.791 3.565 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 793051 XTVWOWIDJUZQHZ-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB COc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2)cc1 793421 KBNSRAWHXSHDPW-QHCPKHFHSA-N 392.499 3.940 0 40 GHAB CCN(CC)C(=O)CSc1nnc(COc2cccc3ccccc23)n1CC 904943 FKHKQIPZOWPSAO-UHFFFAOYSA-N 398.532 3.991 0 40 GHAB O=C(CCC1CCCC1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 1225026 ADXVPDJETDBQFD-UHFFFAOYSA-N 376.478 3.667 0 40 GHAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccccc1C(F)(F)F 1941454 VQTCGFDZRWMPGF-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB COc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccccc4C)nc3C2)cc1 2399828 JNOFGZAILSTKKG-MRXNPFEDSA-N 387.439 3.959 0 40 GHAB O=S(=O)(c1ccccc1)c1nc(N(CCO)c2ccccc2)sc1Cl 2637929 UTCHANPSWYACCJ-UHFFFAOYSA-N 394.905 3.760 0 40 GHAB Cc1sc2ncn3nc(CCn4nc(C(F)(F)F)cc4C)nc3c2c1C 2790170 QBCWDUBQSVJGMM-UHFFFAOYSA-N 380.399 3.722 0 40 GHAB COc1ccc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc1OCc1ccccc1 3265778 SMXZCZMQDQEGHU-NRFANRHFSA-N 399.454 3.720 0 40 GHAB Cc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)Nc1cccc(Cl)c1 3302622 SNDGORQDNLAARO-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Sc2nncn2C)cc1 3347787 POGZBMZEOKMHLU-UHFFFAOYSA-N 394.909 3.729 0 40 GHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc(F)cc1Cl 3365809 MDGKGMARWPJCMX-UHFFFAOYSA-N 398.843 3.911 0 40 GHAB CCOC(=O)c1ccc2nc(NC(=O)c3ccc(OC)c(OC)c3)sc2c1 4275335 DNMWSZZVCREJDY-UHFFFAOYSA-N 386.429 3.743 0 40 GHAB CCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(C(C)(C)C)cc1 4526243 NLDCJMGDHLEBGL-PDGQHHTCSA-N 394.471 3.620 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C[n+]1cccc(C(N)=O)c1 4671330 AREVPJAUQFATLC-PIPMEXSNSA-O 395.523 3.739 0 40 GHAB Cc1ccc(C(=O)N/C(=C\C=C\c2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 4697040 HSLPZAXGJIMTOE-ZMNOGSNZSA-N 390.483 3.617 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cccc(C)c4)no3)C2)cc1 4752958 MJICPPVUJSNWNO-GOSISDBHSA-N 397.500 3.922 0 40 GHAB COc1ccc2nc(NC(=O)COC(=O)c3ccccc3Cl)sc2c1 4965169 WCVQKVLVBXEQKV-UHFFFAOYSA-N 376.821 3.754 0 40 GHAB O=C(Nc1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)ccc1Cl)c1cccs1 5027382 BWVMSLXIJHOYHU-QFBVAWSSSA-N 398.871 3.965 0 40 GHAB CCOc1ccccc1-c1nc(C(=O)NCCCO)cc2c1[nH]c1ccccc12 5907513 KHDHMBZKBCEZEO-UHFFFAOYSA-N 389.455 3.894 0 40 GHAB biogenic COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1OC 6159643 MNYMPPBNBUIXDS-ZRDIBKRKSA-N 382.460 3.742 0 40 GHAB Cc1ccc2[nH]c(SCC(=O)Nc3cc(Cl)ccc3-n3cncn3)nc2c1 6292096 GYNPTNSKLVEUDN-UHFFFAOYSA-N 398.879 3.836 0 40 GHAB O=C(CCCSc1nc2ccccc2s1)N1CCN(c2ccccn2)CC1 6434889 CONAQBXDHRYPHF-UHFFFAOYSA-N 398.557 3.912 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1n[nH]c2ccccc12 6608580 XKQOZMBISLIONG-UHFFFAOYSA-N 381.432 3.665 0 40 GHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCC1CCCC1 6649805 OPHQHEZCTOKDIC-UHFFFAOYSA-N 394.537 3.779 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)NC3CCCCC3)c2)c1 6681218 MIAJTSVCGFYQMK-UHFFFAOYSA-N 392.546 3.944 0 40 GHAB CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cn2)C[C@H]1c1ccccc1 6732253 RVNRXUXPMXBXEX-KRWDZBQOSA-N 383.448 3.578 0 40 GHAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1nncs1 7455433 SULZBKJUMTVPTR-UHFFFAOYSA-N 394.485 3.517 0 40 GHAB Cc1cnc(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)cn1 7784291 KZHVILGCFFGWBC-VMPITWQZSA-N 387.439 3.916 0 40 GHAB CN(Cc1ccccc1)C(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 8091293 ZOIASKYTDDBSDP-XMMPIXPASA-N 386.495 3.978 0 40 GHAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nncn1-c1ccccc1 8159433 WOZPSAIFMYFZFR-UHFFFAOYSA-N 392.440 3.947 0 40 GHAB C[C@H]1CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3ccc(O)cc3)c3cccc1c32 8215645 FHHJIBMLRXMWSM-XMHCIUCPSA-N 394.496 3.957 0 40 GHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21 8840612 LQDDOHNPIKBDDR-UHFFFAOYSA-N 392.908 3.971 0 40 GHAB Cc1ccc(NC(=O)CSc2nc(CC(=O)NC3CCCC3)cs2)cc1 8852759 BHWJOPNUFUWCCK-UHFFFAOYSA-N 389.546 3.784 0 40 GHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccccc3F)cc21 8959516 IWUURJXHYLAYHW-UHFFFAOYSA-N 386.423 3.615 0 40 GHAB Cc1ccc(-c2cc(NC(=O)CNc3ccccc3N3CCCC3=O)on2)cc1 9338610 SAGWTKBJPPYJKY-UHFFFAOYSA-N 390.443 3.827 0 40 GHAB COc1ccc(NC(=O)NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 9484530 JZZLHIXHBQHIRM-UHFFFAOYSA-N 390.852 3.665 0 40 GHAB Cc1ccc(N2CCn3c(SCC(=O)Nc4ccccc4F)nnc32)cc1 9651582 PDLINVQBVZIIBV-UHFFFAOYSA-N 383.452 3.608 0 40 GHAB COc1cccc(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)c1OC 9877095 NBTJULAQBWQYON-UHFFFAOYSA-N 385.533 3.840 0 40 GHAB O=C1c2ccccc2CC[C@@H]1[C@@]1(O)C(=O)N(Cc2cccs2)c2ccccc21 9926031 OGDSGZXUUYNANL-WMZHIEFXSA-N 389.476 3.928 0 40 GHAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cc2ccccc2o1 10119901 RLFJUIHZWRWBJC-UHFFFAOYSA-N 391.412 3.860 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 10217151 GEIORQSTMGYVBH-UHFFFAOYSA-N 389.502 3.579 0 40 GHAB O=C(CCCSc1ccc(NC(=O)C2CC2)nn1)NC1CCCCCC1 11793848 OEANRWPWDPZNIL-UHFFFAOYSA-N 376.526 3.536 0 40 GHAB CCc1cc(O)n2nc([C@H]3CCCCN3Cc3cccc(OC)c3OC)cc2n1 12160952 MKXSNUVUHCVXFL-GOSISDBHSA-N 396.491 3.742 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c1 12863369 VMQZFDPAEMQAQV-KRWDZBQOSA-N 393.462 3.954 0 40 GHAB COC(=O)[C@H](CCSC)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 13000126 LMMVAXVQVHWPLE-ROUUACIJSA-N 389.542 3.931 0 40 GHAB COc1ccc(NC(=O)COc2c(C(=O)O)ccc3ccccc23)c(OC)c1 13086177 WCAVYELEBQTSDU-UHFFFAOYSA-N 381.384 3.573 0 40 GHAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)Cc3ccccn3)cc2)n1 13228155 QWRWCKPUTCPDSE-UHFFFAOYSA-N 395.466 3.768 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)c(O)c1 13635130 YQLJFGAIGKVBNL-LJQANCHMSA-N 379.416 3.603 0 40 GHAB Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 13675446 HYMZQBAICDYZIP-KRWDZBQOSA-N 398.528 3.761 0 40 GHAB O=C(Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1)NCc1cccs1 13716762 MXVBFXCKXCGZNG-UHFFFAOYSA-N 398.459 3.764 0 40 GHAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@@H]1c1nnc2ccccn12 14188805 XJSICNDXFLAOPV-GFCCVEGCSA-N 397.287 3.562 0 40 GHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSC(C)(C)C 14201552 DJAWZLLUDJLVPM-UHFFFAOYSA-N 381.929 3.847 0 40 GHAB NC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccs1 14423051 YNXIEUKWOGSOAV-ZDUSSCGKSA-N 387.461 3.528 0 40 GHAB COC(=O)c1cc2ccccc2cc1OC(=O)COc1cccc(C(C)=O)c1 14603797 DRYJQIFPBGRLSW-UHFFFAOYSA-N 378.380 3.813 0 40 GHAB S=c1[nH]c(-c2cccs2)nn1CN1CCC(c2nnc3ccccn23)CC1 16873668 LOGDQUKEBFFGGY-UHFFFAOYSA-N 397.533 3.549 0 40 GHAB Cc1cc(C)cc(Nc2nc(NCCCO)nc3c2cnn3-c2ccccc2)c1 17010864 YPMUEHZEAQMIOV-UHFFFAOYSA-N 388.475 3.970 0 40 GHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc21 17286527 PZDNCAQIMSABAQ-UHFFFAOYSA-N 394.443 3.710 0 40 GHAB CN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCCCC1 17356687 LHJMOGCRFCNCNN-UHFFFAOYSA-N 398.956 3.532 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CN2C(=O)CCC2=O)cc1 18114407 LNDCLSLKZGTONV-UHFFFAOYSA-N 376.334 3.607 0 40 GHAB Cc1ccc2ncnc(NCCC(=O)N[C@H](C)c3ccc4c(c3)CCCO4)c2c1 19220684 TZIPTXVTDOKFAD-MRXNPFEDSA-N 390.487 3.943 0 40 GHAB CC(C)Cc1cc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)n(C)n1 19447441 OQOCSUIQCRWNNJ-UHFFFAOYSA-N 384.455 3.919 0 40 GHAB COc1cc(CN2C[C@@H]3CCCN3C[C@@H]2Cc2ccccc2)cc(OC)c1OC 19549904 SLROMJHAJNOPMM-SFTDATJTSA-N 396.531 3.604 0 40 GHAB COc1ccc(CN2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c(OC)c1 19552454 NAGGDYGKTRHTNK-QFIPXVFZSA-N 382.435 3.965 0 40 GHAB Cc1cc(C(=O)Nc2cc(-c3ccc(F)cc3)nn2C)nc(N2CCCCC2)n1 19660490 SHWOEHOISYEXQI-UHFFFAOYSA-N 394.454 3.567 0 40 GHAB Fc1cccc(-c2ccc(CN3CCC[C@H]3c3nnc4n3CCNCC4)cc2)c1 19710755 UHUVCMXRFZSHON-NRFANRHFSA-N 391.494 3.567 0 40 GHAB COc1ccc(CCn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)cc1C 19719971 VBFYQNFBZOLALB-UHFFFAOYSA-N 390.487 3.609 0 40 GHAB Cc1ccc([C@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc2)cc1 20045324 AWGJZYGOQXODMR-OAQYLSRUSA-N 394.496 3.886 0 40 GHAB O=C1Nc2cccc(Cl)c2[C@@]12CC(O)=Nc1c2cnn1-c1ccc(F)cc1 20745848 RRZIEVLASBVWDP-IBGZPJMESA-N 382.782 3.895 0 40 GHAB Cc1cc(=O)n2nc(COC(=O)c3ccccc3Nc3ccccc3)sc2n1 21712953 HLTZEDBHTHPEHC-UHFFFAOYSA-N 392.440 3.560 0 40 GHAB COc1ccc([C@@H](CNc2ncnc3sc(C)c(C)c23)N2CCOCC2)cc1 22344293 VXYZWOIZFQZJMB-GOSISDBHSA-N 398.532 3.802 0 40 GHAB O=C(Nc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1)c1ccco1 22411628 XPTRLNQRZMGDMP-UHFFFAOYSA-N 378.356 3.611 0 40 GHAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cccc(N2CCCC2=O)c1 22418178 LXIAWHQHRATSGO-UHFFFAOYSA-N 392.377 3.685 0 40 GHAB Cc1ccc(-c2noc([C@@H](C)N3CCN(c4ccc(O)cc4)CC3)n2)cc1F 22514894 KFHBAGMOZZTIMY-OAHLLOKOSA-N 382.439 3.773 0 40 GHAB O=C(Cc1cccc2ccccc12)NC[C@H](c1ccsc1)N1CCOCC1 22765906 BXMQVWIYKDUBHA-OAQYLSRUSA-N 380.513 3.634 0 40 GHAB CN1CCN(CCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1 22935049 GWSRZKRKVUTRER-DYTRJAOYSA-N 397.950 3.634 0 40 GHAB O=C1Nc2ccccc2O[C@@H]1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 24581551 LULWIZYNOUOKCQ-NVXWUHKLSA-N 393.468 3.750 0 40 GHAB CC(C)Cn1nnnc1S[C@@H](C)C(=O)Nc1ccc(SC(F)F)cc1 24756437 YZKYQXFRNJDBAP-JTQLQIEISA-N 387.481 3.763 0 40 GHAB CC(C)c1csc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)n1 25398124 CXGVMHUDOQSLGO-UHFFFAOYSA-N 379.404 3.616 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1CCCCCC1 27337282 AGNANMBJFXZAMJ-UHFFFAOYSA-N 390.480 3.951 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2sc3ccccc3c2C)c1 28813695 UFKKPKUSIBNFMD-UHFFFAOYSA-N 375.471 3.961 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(Cn2ccnc2)cc1 30219032 JEBAHBYJLYTKCX-UHFFFAOYSA-N 399.498 3.593 0 40 GHAB Cc1ccc(OCCC(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(C)c1 30254752 VWAYVGZPILQJEA-UHFFFAOYSA-N 399.466 3.588 0 40 GHAB CC[C@H]1CO[C@H](C)CN1C(=O)COc1ccc(Br)cc1Cl 32674193 CJDYRADRYCYFAH-PWSUYJOCSA-N 376.678 3.507 0 40 GHAB CCN1C[C@H](CN(C)C(=O)NCc2nc3ccccc3s2)Oc2ccccc21 32863410 SNFUNCXRJATDDA-HNNXBMFYSA-N 396.516 3.725 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccnn2Cc2ccccc2)C1 32868999 WXIDQSQKBMYQCQ-KRWDZBQOSA-N 384.480 3.517 0 40 GHAB O=C(CN1CCCCCC1=O)NCc1ccc(-c2nc3ccccc3s2)o1 32869301 NVUCIQLJJRWXJG-UHFFFAOYSA-N 383.473 3.575 0 40 GHAB Cc1ccc(-c2noc([C@@H](C)N(C)Cc3nc4ccccc4c(=O)[nH]3)n2)cc1F 32901290 VOPVTJRUIBJCGT-CYBMUJFWSA-N 393.422 3.614 0 40 GHAB CN(C)Cc1ccc(CNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 32907665 MOSGHCSKZOXFDD-UHFFFAOYSA-N 387.483 3.931 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3cccc(Cl)c3)CC2)c1C 36385858 BPGDYPZNNOOTOH-HNNXBMFYSA-N 387.911 3.881 0 40 GHAB O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1nc(-c2cccs2)cs1 40042998 JVFDTMSFGAXBQE-UHFFFAOYSA-N 385.470 3.774 0 40 GHAB Cc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1S(C)(=O)=O 40145126 LXYLNCNFTULFQI-UHFFFAOYSA-N 385.529 3.884 0 40 GHAB O=C(N[C@@H]1CCCCNC1=O)c1sc(-c2ccccc2)nc1-c1ccccc1 47172873 AIIUJKVRKSGSTE-QGZVFWFLSA-N 391.496 3.876 0 40 GHAB CCOC(=O)Nc1ccc(NC(=O)N2CCN(c3cccc(C)c3)CC2)cc1 47947940 KSPVYIKMTPLDME-UHFFFAOYSA-N 382.464 3.918 0 40 GHAB Cc1ccc(/C=C/S(=O)(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc1 55558344 BBCCUZAHVDADRG-VOTSOKGWSA-N 391.802 3.979 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)cc2NC1=O 57840478 OIVIYVSHRSPZQP-ZDUSSCGKSA-N 380.469 3.754 0 40 GHAB NC(=O)c1cn(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c2ccccc12 58163457 NYPMNSQCMTXIHO-QFIPXVFZSA-N 397.478 3.840 0 40 GHAB O=C(OCCCn1c(=O)oc2ccccc21)c1cccc(Br)c1 58192937 POJAYDULDNZFTI-UHFFFAOYSA-N 376.206 3.604 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 58209063 WHRMMIWGBBQRPB-ZDUSSCGKSA-N 380.897 3.886 0 40 GHAB CC(=O)c1ccc(N2CCN(C[C@H](O)c3ccccc3C(F)(F)F)CC2)cc1 60461062 YZWUAHBDQGMJON-FQEVSTJZSA-N 392.421 3.764 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 60915060 IHSGBWQYTKIUPV-UHFFFAOYSA-N 394.924 3.870 0 40 GHAB O=C(Cc1nnc(-c2cccc(F)c2)o1)NCc1cccc(C(F)(F)F)c1 62007249 YWHFATFUDMPSOA-UHFFFAOYSA-N 379.313 3.753 0 40 GHAB Cc1ccc(-c2nc(NCc3nnc4n3CCC4)ncc2-c2ccncc2)cc1 65398903 NZKOELZPGYYODY-UHFFFAOYSA-N 383.459 3.664 0 40 GHAB Cc1cccc(C)c1OC1CCN(C(=O)C(=O)Nc2cccc(F)c2F)CC1 65559857 PAUFIXCJZOBCCQ-UHFFFAOYSA-N 388.414 3.590 0 40 GHAB Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cccc(F)c4C)C3)nc2)n1 77100769 UBIPQAXOBOCVBT-MRXNPFEDSA-N 395.438 3.743 0 40 GHAB Cc1cccc(OC2CCN(C(=O)c3ccc(Br)cc3F)CC2)n1 95464890 HNFWRHRHHUGJRW-UHFFFAOYSA-N 393.256 3.975 0 40 GHAB CN1C(=O)C[C@H](C(=O)Nc2nnc(C3CCCCC3)s2)[C@@H]1c1ccccc1 95478432 RRDLDABHHUXNLD-RDJZCZTQSA-N 384.505 3.744 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 95482395 ADEWCRQXVINAJW-GOSISDBHSA-N 381.432 3.527 0 40 GHAB CCSc1ccc(Cl)cc1C(=O)Nc1ccc(CN2CCOCC2)cn1 95976289 BJZXQSKPANGKON-UHFFFAOYSA-N 391.924 3.932 0 40 GHAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)NC3CCCCC3)CC2)Oc2ccccc21 96243055 JHNXXLBIHFFREL-QGZVFWFLSA-N 399.535 3.566 0 40 GHAB CO[C@H]1O[C@@H]2CC[C@@H]3[C@@H]2[C@@H]2[C@H]4[C@H]5[C@H]([C@@H]6CC[C@H]7O[C@H](OC)[C@](C)([C@@H]5[C@@H]67)[C@@H]43)[C@]12C 104294860 HXAAVHKBTACSRV-RGDYYANOSA-N 386.532 3.546 0 40 GHAB COc1ccc(CCCNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1OC 219864335 VRTSHCPSBLQJIX-UHFFFAOYSA-N 396.531 3.978 0 40 GHAB Cc1ccc(CS(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 223626487 UQZPROAAQYJASE-UHFFFAOYSA-N 399.516 3.962 0 40 GHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 223711077 LKMHIBJUYQAFBK-HZPDHXFCSA-N 395.937 3.722 0 40 GHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223888195 DIUXZAUOQUGACY-APWZRJJASA-N 389.517 3.742 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1C 223890590 IZPDINLRPHMNIL-INIZCTEOSA-N 382.570 3.789 0 40 GHAB CC[C@@H](C)NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224327814 IMHBXVHIZQLKDZ-CYBMUJFWSA-N 380.897 3.693 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 224378940 KJVLYPKESXVFEM-UHFFFAOYSA-N 389.473 3.552 0 40 GHAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224752636 GVTPUQUUFRJXGN-INIZCTEOSA-N 386.533 3.705 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)C(C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225225789 LPFGRRHVXIROHP-SMDDNHRTSA-N 395.352 3.699 0 40 GHAB COc1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)c(OC)c1 225229986 WVAUTFPTDXJOSB-UHFFFAOYSA-N 391.562 3.716 0 40 GHAB CCOc1ccc(CNC(=S)Nc2ccc3c(c2)OCCO3)cc1OCC 225528272 CERKUHNDRIHIHP-UHFFFAOYSA-N 388.489 3.742 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccccc1C 225701330 ZAESUUMMVPPRSW-QGZVFWFLSA-N 381.881 3.865 0 40 GHAB COc1ccc(C(=O)Oc2c(CSC)cc(C=O)cc2OC)cc1OC 226289131 LCKWFHPWLFFRQW-UHFFFAOYSA-N 376.430 3.607 0 40 GHAB O=C(Nc1cccc2nsnc12)c1cnc(OC2CCOCC2)c(Cl)c1 253473684 XCJXQZGNVIQYNT-UHFFFAOYSA-N 390.852 3.550 0 40 GHAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nn(C)c4ncccc43)CC2)cc1 257218348 DCUNWWOISUBASL-IYARVYRRSA-N 392.503 3.610 0 40 GHAB Cc1noc(C)c1-c1cccc(C2CCN(C(=O)C3(C)CCN(C)CC3)CC2)n1 257261680 LIJUBVBISPLDOA-UHFFFAOYSA-N 396.535 3.791 0 40 GHAB Cc1noc(C)c1-c1nc([C@@H]2CCCN(Cc3nccs3)C2)ccc1CO 257312116 UMOUWJBJIPVCAB-OAHLLOKOSA-N 384.505 3.682 0 40 GHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3O)[C@@](O)(C(F)(F)F)[C@@H]2C1 409103637 DQSWRRAAEPVBHN-BVRBVLIYSA-N 384.398 3.917 0 40 GHAB Cc1ccc2nc(C[C@H]3CN(C(=O)C4CCCC4)CC[C@H]3CC(=O)O)[nH]c2c1 514289097 OJDNJMJWNRZTHO-IRXDYDNUSA-N 383.492 3.543 0 40 GHAB biogenic,in-vitro CCC[C@]1(NC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)CCOC1 557612937 IIFYKQYIJPBJSL-KRWDZBQOSA-N 383.279 3.572 0 40 GHAB C[C@@H]1CN([C@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CC[C@H]1c1ccccc1 567595405 GONUCHLITNCYOQ-CBGDNZLLSA-N 380.488 3.515 0 40 GHAB COc1ccc(CNC(=O)NC[C@@H](c2cc3ccccc3o2)N(C)C)cc1OC 575620739 LWKFPOJSYKPSBA-KRWDZBQOSA-N 397.475 3.552 0 40 GHAB O=C1CSc2cc(C(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)ccc2N1 577444679 HGPNVWJNJRXZAB-UHFFFAOYSA-N 381.432 3.550 0 40 GHAB CO[C@@]1(CO)CCCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 617794587 HIGOTJFHAHXXDI-FQEVSTJZSA-N 393.405 3.986 0 40 GHAB C[C@]1(C(=O)O)CCC[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCC1 659233434 CIECBEYIIIOJCZ-YOEHRIQHSA-N 380.282 3.630 0 40 GHAB CCOc1cc(C(N)=O)cc(Br)c1OC(=O)c1ccc(Cl)cc1 675031281 OUAWIKFYDKCYEV-UHFFFAOYSA-N 398.640 3.819 0 40 GHAB CC(C)(C)OC(=O)c1cccc(CN(Cc2cccc(C(N)=O)c2)C2CC2)c1 1194418891 VHWJCSWUUKOQNQ-UHFFFAOYSA-N 380.488 3.905 0 40 GHAB COc1nccnc1N(C)CC1CCN(C(=O)Nc2ccccc2Cl)CC1 1775976047 UOGFIIIJZRPRCC-UHFFFAOYSA-N 389.887 3.519 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c1 806747 NNRPOYRSIWUIDZ-QGZVFWFLSA-N 380.444 3.668 0 40 GHAB O=C(Nc1cccc2cccnc12)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 8986088 QADHHAJGUBNKEO-MRXNPFEDSA-N 379.847 3.875 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 899777 WEXIJEZJZQOFCZ-UHFFFAOYSA-N 380.473 3.568 0 40 GHAB COc1c(Cl)cc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)cc1Cl 53964158 FXPKJEPDTRMLQL-VIFPVBQESA-N 379.243 3.988 0 40 GHAB Cc1cc(C)c2c(c1)cc(CN(C(=O)C(F)(F)F)C1CCCC1)c1nnnn12 1367222 DDRKMEXUJIDFDY-UHFFFAOYSA-N 391.397 3.728 0 40 GHAB CC(C)S(=O)(=O)Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2F)c1 79002879 SVZQGSCGEQUJHK-UHFFFAOYSA-N 398.887 3.853 0 40 GHAB COc1ccc(COC[C@H](O)CN(C)[C@@H](C)c2ccc(F)c(F)c2)cc1OC 23356017 RKWYQOQBMDMBII-WMLDXEAASA-N 395.446 3.553 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(Cl)cn1 3550276 OAUGALXRHZAGQG-UHFFFAOYSA-N 396.863 3.595 0 40 GHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(SC)cc1OC 4803716 IRHKQNGYLIFLNC-UHFFFAOYSA-N 395.864 3.875 0 40 GHAB COc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1OC 6999922 ZGVOGWMHQAOINX-UHFFFAOYSA-N 376.840 3.506 0 40 GHAB CCC(C)(C)n1nnnc1[C@@H](CC(C)C)N1CCN(c2ccccc2F)CC1 57669934 FEVKRJGKIWQAKA-LJQANCHMSA-N 388.535 3.867 0 40 GHAB CCOc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1OCC 8054659 WSVDMKNIANPVPR-UHFFFAOYSA-N 379.522 3.731 0 40 GHAB O=C(c1ccc(Br)cc1)N1CCCN(Cc2ccccc2F)CC1 84504698 ALSKSZXFACSSER-UHFFFAOYSA-N 391.284 3.936 0 40 GHAB CC(C)N(Cc1ccccc1)Cn1nc2n(C)c(=O)c3ccccc3n2c1=S 12565352 BJQJNCGHAMKTMX-UHFFFAOYSA-N 393.516 3.585 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)Cc1coc(-c2ccccc2)n1 24991204 IVTXHHOBOCRXCS-LJQANCHMSA-N 375.428 3.514 0 40 GHAB Cc1cc(C)n(Cc2ccc(Cl)cc2)c(=O)c1S(=O)(=O)c1ccccc1 1401306 YRROIGDJNAHDKW-UHFFFAOYSA-N 387.888 4.000 0 40 GHAB CCc1nn2c(=O)cc(CNc3ccccc3Cc3ccccc3)nc2s1 25896075 NGNORELYMAYJAN-UHFFFAOYSA-N 376.485 3.916 0 40 GHAB O=C(NCCCN1CCCC1=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 3257115 URMLLGUVZSLWPE-UHFFFAOYSA-N 391.446 3.783 0 40 GHAB Cc1cc(NC(=O)N(C[C@H](O)COc2cccc3ccccc23)C(C)C)no1 57880297 BGXOIDROHHZENJ-KRWDZBQOSA-N 383.448 3.818 0 40 GHAB Cc1sc(NC(=O)CCNC(=O)Cc2ccccc2)nc1-c1ccc(F)cc1 12758064 XIFGYVIOAMYHQJ-UHFFFAOYSA-N 397.475 3.945 0 40 GHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2c(s1)CC[C@@H](C)C2 12790190 KBIDALDREBZRTF-CQSZACIVSA-N 386.517 3.982 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12772864 RPUWIIWVYMGUJG-OAHLLOKOSA-N 395.528 3.913 0 40 GHAB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)N[C@H]1CCCc2ccccc21 48373919 MNCMPYSZPLITKX-IBGZPJMESA-N 377.444 3.535 0 40 GHAB CSc1ccccc1C(=O)c1cccc(CN2CCC3(CC2)OCCO3)c1 2515226 NIKJXJVCGLHIHT-UHFFFAOYSA-N 383.513 3.978 0 40 GHAB CN1CCN(Cc2cccc(NC(=O)Cc3ccc(Cl)cc3Cl)c2)CC1 60030180 XJPIWJQEZCWOTH-UHFFFAOYSA-N 392.330 3.922 0 40 GHAB O=C(NCc1ccccc1COc1ccccc1)c1ccc(-n2cncn2)cc1 12973272 ARETTYHHUNAIME-UHFFFAOYSA-N 384.439 3.776 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)OCc1ccccc1 3612269 GXZBMLZFDOUPDZ-JOCHJYFZSA-N 388.467 3.841 0 40 GHAB Cc1ccc(NC(=O)CN(C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 13059580 XJSUTYUNTHWIJO-SFHVURJKSA-N 389.499 3.896 0 40 GHAB O=C(CCc1nc(-c2ccco2)no1)Nc1cc2c(cc1Cl)OCCCO2 13005161 WVFLFTOBLNBFLQ-UHFFFAOYSA-N 389.795 3.716 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2cccs2)c1 13095418 ILEFJGRKZQTJHG-KRWDZBQOSA-N 392.546 3.756 0 40 GHAB O=C(O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C1(c2ccc(F)cc2)CC1)CC3 96997938 BRSBGWCRZYOQIJ-UHFFFAOYSA-N 378.403 3.622 0 40 GHAB CCCOc1cccc(-c2n[nH]c(Nc3ccc(N4CCOCC4)cc3)n2)c1 20414288 SSVANLVHSXGNJK-UHFFFAOYSA-N 379.464 3.841 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cc(C)ccc2C)cc1 9237391 QHOQDPAKSSUXJK-RBUKOAKNSA-N 393.516 3.910 0 40 GHAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccccc3O)c2)o1 408599075 DLWORCVNDRIPLW-UHFFFAOYSA-N 399.786 3.914 0 40 GHAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1 5200810 ZNVVWZZUNIVQIO-UHFFFAOYSA-N 387.911 3.672 0 40 GHAB O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)/C=C/c2c(F)cccc2F)C1 65575759 KXMNRNHWBPLVSU-RUMSDORHSA-N 376.447 3.666 0 40 GHAB COC(=O)c1[nH]c2ccc(F)cc2c1NS(=O)(=O)c1ccc(Cl)s1 5684025 NATPUZKRPKSFQF-UHFFFAOYSA-N 388.829 3.609 0 40 GHAB COc1ccc2nc(SCc3cc(=O)oc4cc(NC(C)=O)ccc34)[nH]c2c1 6905603 MJJBMLYYZKTNSB-UHFFFAOYSA-N 395.440 3.929 0 40 GHAB CCN(CC)C(=O)[C@@H](Sc1nncn1-c1cccc(OC)c1)c1ccccc1 6980111 ZMVDUYFCRKSOIF-IBGZPJMESA-N 396.516 3.978 0 40 GHAB COc1ccc(Cc2nnc(SCc3cccc(C(=O)O)c3)o2)cc1OC 4943102 JPZNBQXMTXCLRY-UHFFFAOYSA-N 386.429 3.668 0 40 GHAB CCc1ccc(-n2cc(C(=O)NCc3cccc(Br)c3)nn2)cc1 67262100 FNTFVJIOILIJIU-UHFFFAOYSA-N 385.265 3.522 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857101 QDFFGMSHXLPUMC-MRXNPFEDSA-N 392.908 3.521 0 40 GHAB O=C(Nc1ccccc1OC(F)F)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 15993661 ULCJCDROOCHXMX-LLVKDONJSA-N 380.778 3.933 0 40 GHAB O=S(=O)(c1ccc(-c2csc(N3CCCC3)n2)cc1)N1CCCCCC1 7643704 YYSHZJWEQLSONV-UHFFFAOYSA-N 391.562 3.975 0 40 GHAB COc1ccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 22532230 LMCSLWKNJDRMPS-UHFFFAOYSA-N 399.468 3.975 0 40 GHAB COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(C(C)C)cc1)CC2 8189401 WTAKECNIZDCNKU-UHFFFAOYSA-N 375.490 3.574 0 40 GHAB COc1ccc(CN(C)CC(=O)NCCc2ccc(Cl)cc2Cl)cc1F 8308300 AOUCEVQPNLRGBO-UHFFFAOYSA-N 399.293 3.932 0 40 GHAB CCc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 8390957 PGPVAHDGHBWOAW-GOSISDBHSA-N 392.908 3.694 0 40 GHAB Cc1ccccc1CSCCNC(=O)c1ccc(CN2CCCC2=O)cc1 22532934 PXDWICVDKYNMAC-UHFFFAOYSA-N 382.529 3.781 0 40 GHAB O=c1c2c(-c3ccc(F)cc3)c3c(nc2nc2[nH]ncn12)-c1ccccc1CC3 8716854 ZPKDJXACLJIATK-UHFFFAOYSA-N 383.386 3.538 0 40 GHAB Cc1cc(NC(=O)[C@@H]2CCCN2c2ncnc3sccc23)ccc1N(C)C 84090313 JCTUXMYYUOESHB-KRWDZBQOSA-N 381.505 3.673 0 40 GHAB C[C@@H](N[C@@H]1CCSc2ccc(F)cc21)c1ccc(S(=O)(=O)N(C)C)cc1 95955780 MZWFGDLAHLBVBG-FZKQIMNGSA-N 394.537 3.964 0 40 GHAB Cc1cc(C)c(OCC(=O)N2N=C3CC[C@H](C)C[C@H]3[C@@]2(O)C(F)(F)F)c(C)c1 20034298 WSDOIVIDDHNPSL-SVBQJQNYSA-N 398.425 3.876 0 40 GHAB COc1ccc(-c2nnc(CN(C)C(=O)c3ccc(C)c(C)c3)o2)cc1OC 408714706 VQRYZXDDNRUZRX-UHFFFAOYSA-N 381.432 3.643 0 40 GHAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1OC 409141857 KKGRKQCEKSFIEW-MRACZJACSA-N 399.852 3.647 0 40 GHAB COc1ccc(CN2[C@H]3CC[C@H]2[C@]2(CCN(CCc4ccccc4)C2=O)C3)cc1 306139896 UDOADUDTQPUQFQ-RSEQLOHWSA-N 390.527 3.893 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC(c3cncc(Oc4cccnc4)n3)CC2)s1 72383997 ZTCOACBMBLVPEG-UHFFFAOYSA-N 395.488 3.757 0 40 GHAB COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3ccnc(C)c3)c2C)c1 527538556 LQTVQHUODBFFBH-QFIPXVFZSA-N 392.503 3.775 0 40 GHAB CCC[C@@H](C)Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O 217584235 OISZVAYRXXNQNF-CQSZACIVSA-N 382.526 3.986 0 40 GHAB COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)CC1 225802897 KXVBSCUHAZEKCV-SFHVURJKSA-N 394.515 3.690 0 40 GHAB CC[C@@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccccc1 225480292 CSRISPFEIQSIBP-QGZVFWFLSA-N 377.535 3.520 0 40 GHAB Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 529088321 BDGIVKLHCXGYLM-DLEQGYHRSA-N 387.480 3.713 0 40 GHAB Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cccc1N(C)S(C)(=O)=O 222433900 ZVNLEJOXGBRNCA-UHFFFAOYSA-N 386.395 3.662 0 40 GHAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1 224151086 GNAYIYAQFNQNGT-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225154277 OBMIAUVTOIBBGQ-UHFFFAOYSA-N 376.503 3.894 0 40 GHAB CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)cc1 225048009 YFKMHUZPUPQTSH-UHFFFAOYSA-N 385.441 3.518 0 40 GHAB O=C(C[C@H]1CC2(CCN(Cc3ccncc3)CC2)Oc2ccccc21)NC1CC1 96053437 SVNRACWJOKRQAZ-IBGZPJMESA-N 391.515 3.651 0 40 GHAB O=C(O)[C@@H](c1ccsc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 582731022 ZFWJNKJSZJLZGN-XJKSGUPXSA-N 387.436 3.943 0 40 GHAB COc1cccc(-c2ccc3c([C@H]4CCCN4C(=O)NC(C)C)nnn3c2)c1 96267916 SLOCDOXKRAIZPB-GOSISDBHSA-N 379.464 3.660 0 40 GHAB O=C(CN1CCC(c2nnc(-c3ccsc3)o2)CC1)Nc1ccccc1F 96024412 QJGJWFCQUHJQRG-UHFFFAOYSA-N 386.452 3.755 0 40 GHAB O=C(c1ccc(O)nc1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257318208 VMYTVWVJRYOKPC-MRXNPFEDSA-N 381.407 3.525 0 40 GHAB COc1cccc2cc(C(=O)NC[C@](O)(c3ccoc3)c3cccs3)oc12 253472945 QRYZAAFSMAGYBF-FQEVSTJZSA-N 383.425 3.762 0 40 GHAB Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](CO)c4ccccc4)c(C)c3cc12 30822713 VILXOWJFFZAQOQ-IBGZPJMESA-N 391.423 3.548 0 40 GHAB biogenic Cn1cc(-c2ncccc2C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cn1 646782759 PWVUWHRDNBNVGI-SFHVURJKSA-N 398.413 3.891 0 40 GHAB Cn1ccnc(Oc2ccc(-c3cc(F)ccc3OC[C@H]3CCCO3)cc2)c1=O 649428872 DTJAIOVEEHAPIB-GOSISDBHSA-N 396.418 3.937 0 40 GHAB Cc1noc(C)c1CN1C(=O)CC[C@]12CCCN(CCc1ccccc1)CC2 585099793 AAPBBRSWRFEYBF-QHCPKHFHSA-N 381.520 3.881 0 40 GHAB Cn1cnc(CN2CCC[C@H]2c2csc(NC(=O)c3ccc(F)cc3)n2)c1 585295133 MTOCNJYEYGHBHZ-KRWDZBQOSA-N 385.468 3.605 0 40 GHAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2Cl)o1 58391661 NCTHJDWZBLZNCR-ONGXEEELSA-N 375.277 3.926 0 40 GHAB O=C(CCc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 1565522985 WQRFDWNRSHZTLZ-HOTGVXAUSA-N 378.398 3.624 0 40 GHAB Cc1cc(C)cc(NC(=O)CN2CCN(c3nc4ccccc4s3)CC2)c1 1642358092 LGEJQSVMHCNACK-UHFFFAOYSA-N 380.517 3.674 0 40 GHAB O=C(COc1ccccc1-c1ccccc1)NC[C@H]1COc2ccccc2O1 5631725 RHYUNHLNCDCMAQ-SFHVURJKSA-N 375.424 3.689 0 40 GHAB COc1ccc(-n2nc3ccc(NC(=O)c4cccnc4)cc3n2)cc1Cl 5661782 OGFLMTUMHOZZRF-UHFFFAOYSA-N 379.807 3.730 0 40 GHAB C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CNC3=O 13367843 ZSVLMDBFFSSVAK-RCJATNNHSA-N 385.504 3.543 0 40 GHAB biogenic,in-vitro CC[C@H](C)[C@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(=O)O 13681746 BOBGXNFJZLYCIE-LRDDRELGSA-N 375.494 3.685 0 40 GHAB O=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCCO2 16092719 LYTXQQZELGVYGS-UHFFFAOYSA-N 375.229 3.922 0 40 GHAB CSc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc1 8268050 HJRKJKGRWZVBAQ-RERGGYADSA-N 390.530 3.846 0 40 GHAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c(C)n1C1CC1 4513185 GRLZJVBRQIMWGA-OAQYLSRUSA-N 399.878 3.743 0 40 GHAB CS(=O)(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 14727220 SEIUSCNAQIVDDA-UHFFFAOYSA-N 381.453 3.921 0 40 GHAB COc1ccc(CN2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)c(C)c1 2037984145 RSUQRSVHZXEIOM-XMMPIXPASA-N 394.515 3.792 0 40 GHAB CCc1ccc(NC(=O)C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 4375513 DMIWUGLFDOYUMW-UHFFFAOYSA-N 397.475 3.809 0 40 GHAB CC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 5099526 JDUKPQKWQCUMOP-UHFFFAOYSA-N 384.501 3.665 0 40 GHAB CC(C)c1cc(C(=O)NCc2ccccn2)nn1-c1nc2ccccc2s1 12223587 NRXVCRFHIDOBFR-UHFFFAOYSA-N 377.473 3.930 0 40 GHAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)c1ccccc1C(F)(F)F 36699879 STTOVDSZEULZBT-SFHVURJKSA-N 378.394 3.509 0 40 GHAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)NCc3cccc4ccccc34)C2)n1 575413848 DJVSIMWDSRTZHM-LJQANCHMSA-N 376.460 3.610 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)NCC[C@@H](CCO)c3cccs3)c2O1 575607770 OSTLCWMNGMANSB-HNNXBMFYSA-N 389.517 3.513 0 40 GHAB COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)Cn1c(=O)oc2ccccc21 12417588 IRRDCTZCTMIWPI-CQSZACIVSA-N 380.444 3.922 0 40 GHAB Cn1cc(CCCSc2nnc(-c3cccnc3)n2Cc2ccccc2)cn1 40150616 OXNPWLSYDKZASC-UHFFFAOYSA-N 390.516 3.847 0 40 GHAB Cc1nc2nc(SCC(=O)N[C@@H](c3ccccc3)C(C)C)nn2c(C)c1C 40119152 ZBPGCDDRIFKKNT-GOSISDBHSA-N 383.521 3.655 0 40 GHAB CCOc1ccc(CCN2C(=O)C[C@@H](Cc3ccc(C)cc3)C2=O)cc1OCC 100146793 UHDNDHFLXOMMAQ-HXUWFJFHSA-N 395.499 3.953 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100574878 IVCLPPATURSDDN-KODHJQJWSA-N 392.842 3.904 0 40 GHAB COc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)n[nH]2)c1 51315784 DWYYTWRWDVXALJ-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB O=C(Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCSCC3)c2c1)c1ccccc1 32069749 AFFYTMZIPBFQTJ-LJQANCHMSA-N 395.484 3.595 0 40 GHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(N2C(=O)CCC2=O)c1 32739392 HRNLSBHTISVNOB-CYBMUJFWSA-N 393.468 3.783 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCC1(c2ccccc2)CCC1 21653468 WQUWDASVLCOWSR-UHFFFAOYSA-N 398.812 3.759 0 40 GHAB COC[C@@H](C)NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 32932055 MLDXQGLELCGYSR-SNVBAGLBSA-N 384.860 3.866 0 40 GHAB CNc1nc(C)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 32928552 LUTOABLGAFKPBH-JTQLQIEISA-N 382.247 3.923 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2cc(Br)cs2)c1C 52847741 BEZKCOZAJQWFOL-UHFFFAOYSA-N 383.311 3.973 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(-c3ccc4nnc(C)n4n3)ccc2C)cc1 33269717 MCLGEAMXRUJREP-UHFFFAOYSA-N 393.472 3.517 0 40 GHAB COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 665913 ARSINPSGSRMJAD-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1 779424 ALXIVDUEQHSAJR-MRXNPFEDSA-N 398.459 3.690 0 40 GHAB Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)NC(C)C)CC3)cs2)cc1 819497 QJFZPDBYBFYKDP-UHFFFAOYSA-N 386.521 3.572 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)cc1OC 904686 ODASVPWCQORXIH-UHFFFAOYSA-N 398.488 3.539 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2C[C@H]2CCCO2)cc1 1364592 NEQGBXVRTVNETL-QGZVFWFLSA-N 386.521 3.628 0 40 GHAB Cc1cc2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2c2ccccc12 1924418 KZNRNKQWNWJMSQ-UHFFFAOYSA-N 391.500 3.988 0 40 GHAB COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)N2CCCCC2)cc1 1994367 DHTROLLOIQDQBC-UHFFFAOYSA-N 393.439 3.860 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)no2)cc1 2465567 FHBPSWPMQQAKNY-UHFFFAOYSA-N 397.456 3.642 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1 3251843 UBECYVCXPYMEHH-UHFFFAOYSA-N 390.244 3.891 0 40 GHAB CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(Cl)cc2)cc1OCC 3414195 PZJRGFPKWOGVMI-UHFFFAOYSA-N 390.867 3.848 0 40 GHAB CC[C@@H](C)C(=O)O[C@@H]1CCC=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21 3872141 AJLFOPYRIVGYMJ-WOFCUQJYSA-N 390.520 3.950 0 40 GHAB Cc1ccc([C@@H]2CN3C(=O)CN(C4CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 4084160 RESOVXZAEZCWDE-DFBJGRDBSA-N 399.494 3.670 0 40 GHAB biogenic CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)cc1 4585914 COEQZRUBGIPHAA-UHFFFAOYSA-N 382.413 3.620 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1NC(C)=O 4742792 TZMKRDNXOATVOQ-UHFFFAOYSA-N 380.491 3.566 0 40 GHAB O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1cccc(Cl)c1Cl 4986545 ZZUSYETZXBCXMQ-UHFFFAOYSA-N 380.256 3.917 0 40 GHAB COc1ccc(OC)c(NC(=O)C[C@@H]2Nc3cccc4cccc(c34)NC2=O)c1 5018897 USWWBZJNCHELEH-SFHVURJKSA-N 391.427 3.618 0 40 GHAB CC(=O)O[C@@H]1OC[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1SCc1ccccc1 5080477 BEQMQIJYJMGIHC-XWSJACJDSA-N 378.490 3.652 0 40 GHAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNCCCN1CCCCCC1 6051590 JZHJFEGGFAIVOW-NRFANRHFSA-N 376.585 3.888 0 40 GHAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(Cl)ccc2C)cc1C 6608904 FSJUDBLJTHLKSK-UHFFFAOYSA-N 380.897 3.572 0 40 GHAB Cc1ccc(C(=O)N2CCN(C(=O)CSc3nc4ccccc4s3)C2)cc1 6732845 DUJGZHYDEKYWQE-UHFFFAOYSA-N 397.525 3.639 0 40 GHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(C(F)(F)F)c1 6954706 KCFJLSVRQRWQRB-UHFFFAOYSA-N 384.379 3.849 0 40 GHAB Cc1ccc(Cl)c(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1Cl 7046617 VJXDNTIVBXFKGZ-UHFFFAOYSA-N 383.275 3.950 0 40 GHAB CCCn1nnnc1COC(=O)c1ccc(-c2nc3ccccc3s2)s1 7282748 USRFEKGYINLVQG-UHFFFAOYSA-N 385.474 3.778 0 40 GHAB Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)NC1CCCCC1 8202415 ZEDFJBAVUYDGAX-UHFFFAOYSA-N 378.538 3.669 0 40 GHAB COc1cc(C=O)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 9232099 LIRJPNMSZZYQCR-UHFFFAOYSA-N 392.249 3.905 0 40 GHAB Cc1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)cc1Cl 9481193 LCEMLLWHMUPDKS-SFHVURJKSA-N 399.878 3.530 0 40 GHAB Cc1csc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 9593105 IFNJMNISRLGQIA-AWEZNQCLSA-N 376.503 3.679 0 40 GHAB COC(=O)c1ccc(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)cc1 9876992 XXIVCJRGHBGVMZ-UHFFFAOYSA-N 383.517 3.609 0 40 GHAB O=C(CN1CCC2(CC1)Nc1ccccc1-n1cccc12)NCc1cccs1 12113191 HLHMOYVJACHUQD-UHFFFAOYSA-N 392.528 3.572 0 40 GHAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 12293725 WAINOKZUJMAMQA-UXHICEINSA-N 389.442 3.657 0 40 GHAB Cn1ncc2c(Oc3ccc(Br)cc3Br)ncnc21 12484825 BMKJFUSTNCFXPP-UHFFFAOYSA-N 384.031 3.681 0 40 GHAB COc1ccc(Cn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1 12539349 GYLUMBSVDPPQLX-UHFFFAOYSA-N 375.428 3.958 0 40 GHAB C[C@]1(c2cccc(-n3cnnn3)c2)Nc2ccccc2C(=O)N1c1ccccc1 12543661 FEROQLZSTUZAME-QFIPXVFZSA-N 382.427 3.608 0 40 GHAB CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1OC 12556146 QXLVLYVPGZXRTM-KKSFZXQISA-N 382.460 3.839 0 40 GHAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1ccc(Cl)cc1 12776684 MGYZKXYIAZPDEY-UHFFFAOYSA-N 392.908 3.526 0 40 GHAB CN1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)[C@H](c2ccccc2)C1 12793499 KVUJJOUAQWWGRD-DVBCCOPCSA-N 384.863 3.597 0 40 GHAB O=C(CCN1CCSC1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 12848466 AGFYEXUSFFEIAF-ZFAMOUDISA-N 392.524 3.959 0 40 GHAB CSc1nc2nc(C)c(CC(=O)Nc3cc(Cl)ccc3Cl)c(C)n2n1 12978923 OCHHTDRCEWUCKT-UHFFFAOYSA-N 396.303 3.951 0 40 GHAB CCCCCc1ccc(OS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 13004227 QKBAUDMSYYCVED-UHFFFAOYSA-N 382.503 3.591 0 40 GHAB Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCC1 13583049 HFPHBGSZQIGAOZ-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 13685779 KXUKXSSSMSEFHD-ZWKOTPCHSA-N 396.487 3.618 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)c(Br)c1 15332157 YOARPIYUTGVJGR-NSHDSACASA-N 378.222 3.892 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 15578831 RLKIOGMHYSXYCD-UHFFFAOYSA-N 384.823 3.920 0 40 GHAB O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)Nc1ccc(F)cc1 17156249 XGVYCCJWCVBNRI-UHFFFAOYSA-N 376.457 3.918 0 40 GHAB O=c1[nH]c(-c2ccncc2)nc2c1CN(CC1(c3ccc(Cl)cc3)CC1)CC2 19332789 YDDAHRDXNAGWMI-UHFFFAOYSA-N 392.890 3.575 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 19333324 YQAYIYRWBJNHDK-GOSISDBHSA-N 397.475 3.934 0 40 GHAB O=C(NCC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccncc3)C2)no1 19405235 SFQHBILQCDUTJC-LJQANCHMSA-N 382.508 3.759 0 40 GHAB COc1ccc([C@@H]2CCCN2C[C@@H](O)c2cc(F)ccc2OC)cc1OC 19559134 GIGZBXOXQFJCKF-ZWKOTPCHSA-N 375.440 3.722 0 40 GHAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)CO2 19562383 CUXZTDSPICNBGT-OXQOHEQNSA-N 397.471 3.627 0 40 GHAB COc1ccccc1OCCN(C)Cc1c(C2CCOCC2)[nH]c2ncccc12 19586176 ZWEKARUXOQPYTO-UHFFFAOYSA-N 395.503 3.976 0 40 GHAB CCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)CC1 19705649 GTROSLZUZWIZKK-UHFFFAOYSA-N 378.520 3.854 0 40 GHAB Cn1c([C@@H]2CCCN(C(=O)CCNc3ccc(Cl)cn3)C2)nc2ccccc21 19717059 UPNDYTZZTUTFJC-OAHLLOKOSA-N 397.910 3.830 0 40 GHAB CCCOc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22380342 NULCSDAURUBDQR-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 22407148 ZUAAUBREINLIDV-SFHVURJKSA-N 396.487 3.644 0 40 GHAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 22870645 NNLCUWXSTGBFRV-RBBKRZOGSA-N 382.548 3.758 0 40 GHAB CS(=O)(=O)N1CCCc2cc(-c3csc(Nc4ccccn4)n3)ccc21 23625547 NOQRMFXRZDQDKJ-UHFFFAOYSA-N 386.502 3.661 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1Br 24839429 IRHXZHLYWGIOMF-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB O=C(NCc1cccc(CN2CCCC2)c1)C1(c2ccccc2)CCOCC1 25133036 WRTPMGRLNXMXOE-UHFFFAOYSA-N 378.516 3.647 0 40 GHAB CCCCOc1cc(S(=O)(=O)N2CCCCC2)ccc1Br 27824820 IXQODBOZTAAXHD-UHFFFAOYSA-N 376.316 3.803 0 40 GHAB Cc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1C 32641062 XZSWAMPWEMMBAM-OALUTQOASA-N 386.542 3.578 0 40 GHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccc(C(=O)N3CCCC3)cn2)cc1 32789460 ZGIPKMFVHJUOBR-CQSZACIVSA-N 397.500 3.640 0 40 GHAB C[C@H](c1ccccc1)N(C)C(=O)c1cn(-c2ccccc2Br)nn1 32816278 CHDWFTOFXKYYBK-CYBMUJFWSA-N 385.265 3.863 0 40 GHAB CCN1C[C@H](CN(C)C(=O)NCC2(c3ccccc3)CC2)Oc2ccccc21 32889708 PDSRUPOZTIGSMB-IBGZPJMESA-N 379.504 3.647 0 40 GHAB Cc1noc2ncc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)cc12 32905872 UNXWMJLFFKGESA-UHFFFAOYSA-N 386.411 3.714 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 32910662 AISSSZDSFADIJX-MRXNPFEDSA-N 398.242 3.767 0 40 GHAB O=C1S/C(=C\c2cccc(Br)c2)C(=O)N1CN1CCCCC1 33326265 LMZWOFXLNSVSBG-UVTDQMKNSA-N 381.295 3.929 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)c(OC)c1 35319123 PRSORKJSAUUAGQ-KRWDZBQOSA-N 397.406 3.870 0 40 GHAB COc1cc(CNC(=O)c2cc(Cl)ccc2F)ccc1OC[C@H]1CCCO1 36392433 UIFBXDXNYAVTBN-OAHLLOKOSA-N 393.842 3.976 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1cc(C)n(-c3nccs3)c1C)CC2 36762692 SSWFAMMDBYKMJW-UHFFFAOYSA-N 397.500 3.766 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1sc(-c2ncccn2)nc1C)c1ccccc1 40149080 BKUMGPFUYDZBSW-KRWDZBQOSA-N 395.532 3.721 0 40 GHAB Cc1cccc(N2CCN(C(=O)CCc3nc(-c4ccccc4C)no3)CC2)c1 41184329 MVFRPPSYIJLQLQ-UHFFFAOYSA-N 390.487 3.635 0 40 GHAB Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)n1 48302539 ODNHTGMYQKPPLJ-GFCCVEGCSA-N 377.554 3.657 0 40 GHAB CC1(C)CN(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)[C@H]1c1ccccc1 48303024 QKXUDJMTLSTYIS-NRFANRHFSA-N 376.456 3.559 0 40 GHAB O=C(NCCc1ccccc1C(F)(F)F)c1nc(N2CCCC2)ncc1Cl 54196822 WDYQVWLXXJKQNA-UHFFFAOYSA-N 398.816 3.722 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccco1 58061257 UWHSWIUYFQAPOF-MRXNPFEDSA-N 392.883 3.907 0 40 GHAB COc1cccc(-c2csc3ncc(C(=O)Nc4ccccc4)c(=O)n23)c1 64787920 KRJITIXYVHXNRA-UHFFFAOYSA-N 377.425 3.684 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2F)nc2cc(C)[nH]c2c1=O 67238910 AUEWVVZNOYYXSC-GFCCVEGCSA-N 388.468 3.874 0 40 GHAB CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(Br)cc2)CC1 67800560 HTPGOLAOJSYUKE-UHFFFAOYSA-N 398.301 3.970 0 40 GHAB CCO[C@@H](CCNC(=O)CNC(=O)c1ccc2ccccc2c1)C1CCCC1 72309615 FDGFGHNJWZBMHH-NRFANRHFSA-N 382.504 3.671 0 40 GHAB O=[S@](c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)C(F)(F)F 72312982 UFQDRUQAOUCTTG-QFIPXVFZSA-N 383.800 3.768 0 40 GHAB COC(=O)[C@@]1(Cc2ccc(F)cc2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 72340200 SYYQGPPOANIFCN-ZRCGQRJVSA-N 381.447 3.534 0 40 GHAB COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)c4c[nH]nc4C)C3)n2)cc1 72349751 HYJWWVFPGSCDLA-QGZVFWFLSA-N 376.460 3.809 0 40 GHAB CCCN1CCN(C(=O)C2CCC2)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 72351849 SFRPNZMQYQSASC-JOCHJYFZSA-N 391.515 3.541 0 40 GHAB Fc1cccc(-c2ccc(CN3CCn4c(nnc4[C@H]4CCCNC4)C3)cc2)c1 72372138 AGPRSMFCMDUDOG-FQEVSTJZSA-N 391.494 3.567 0 40 GHAB CCc1nnc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4ccccc4)C3)n2)s1 72382441 GVIIYQXGVHLGAK-HNNXBMFYSA-N 394.504 3.572 0 40 GHAB CC[C@@H](NC(=O)c1nnn(-c2ccccc2C)c1C)c1c(C)nn(CC)c1C 72391815 ONCPRDDXQRJAQA-QGZVFWFLSA-N 380.496 3.598 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)NC1(c2nc(-c3cccnc3)no2)CCCCC1 77197453 MRWQFLVSHYZGTR-MRXNPFEDSA-N 392.459 3.875 0 40 GHAB CC(C)S(=O)(=O)Cc1cccc(NCC(=O)Nc2ccc(F)cc2Cl)c1 79002889 ZFKCLFSZRQEEIJ-UHFFFAOYSA-N 398.887 3.853 0 40 GHAB COc1ccc(N[C@@H]2CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)c(OC)c1 95943604 PZVKXRSGPPQELZ-CABCVRRESA-N 380.444 3.723 0 40 GHAB CC(C)CCN1[C@]2(CCN(Cc3ccsc3)C2)c2ccccc2S1(=O)=O 96143282 PYPFTGKGYVVPKP-FQEVSTJZSA-N 390.574 3.900 0 40 GHAB Clc1cccc(CN2CC[C@@]3(COCc4cnc(-c5cccnc5)nc43)C2)c1 96244277 CKABGBKOVFNVTF-QFIPXVFZSA-N 392.890 3.866 0 40 GHAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)NC1CCCCC1 100464868 UYPGBMXFHXGBTI-UHFFFAOYSA-N 375.472 3.993 0 40 GHAB CSc1ncc2c(n1)S[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)C2=O 102053769 XNJSXGDPLPFVCL-LLVKDONJSA-N 385.392 3.513 0 40 GHAB C[C@@H](NC(=O)COC(=O)/C=C/c1nc2ccccc2s1)[C@@H]1C[C@H]2CC[C@H]1C2 107444779 IUPOOASXKZMCBI-KWFUETQMSA-N 384.501 3.794 0 40 GHAB IC12CC(C34CC(I)(C3)C4)(C1)C2 136120645 REIWOVMTLNEWLN-UHFFFAOYSA-N 386.014 3.702 0 40 GHAB CNC(=O)c1cc(NC(=O)c2nn(-c3ccccc3Cl)cc2C)ccc1F 161774149 YCPBQFASEPDJGL-UHFFFAOYSA-N 386.814 3.585 0 40 GHAB CCCCCNc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)O 217617092 PMVZCTPOFZUOEA-UHFFFAOYSA-N 390.505 3.508 0 40 GHAB COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc3c(c1)OCO3)CC(C)(C)O2 222653771 XMIVHJSPWRMSPJ-KRWDZBQOSA-N 383.444 3.775 0 40 GHAB CC(C)CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 222776004 DFYZBICACLWMJC-LJQANCHMSA-N 382.504 3.645 0 40 GHAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2ccc(C)c(C)c2)c(C)c1 223108247 WMPPPPBSRZOUEY-KRWDZBQOSA-N 377.506 3.675 0 40 GHAB CCCc1ccc(OCCNS(=O)(=O)c2cc(C)c(OC)cc2C)cc1 225196703 HQNFRQQWUODHOW-UHFFFAOYSA-N 377.506 3.622 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(-n3ccnc3)cc2)c1 225454509 SKAZHMNRTPDQAR-UHFFFAOYSA-N 394.500 3.844 0 40 GHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(O[C@H]2CCSC2)nc1 225717480 CYJIZNRVWKREBL-INIZCTEOSA-N 396.434 3.957 0 40 GHAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C(=O)OC 225773202 QPKHLWSMTLZMLO-UHFFFAOYSA-N 397.471 3.867 0 40 GHAB O=C(COc1nn(-c2ccccc2)cc1Cl)NCCCc1cccc(F)c1 227152235 OJEOXRDSOITGJB-UHFFFAOYSA-N 387.842 3.793 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC[C@H](O)CN1CCN(c3ccc(F)cc3)CC1)C2 245053617 PCYLJSIICAVAJD-OOIKZJQMSA-N 390.543 3.540 0 40 GHAB Cc1cnc(C(=O)N2CCC(c3cccc(Nc4ncccc4C)n3)CC2)cn1 257251405 JQQGJWUAPNZKIF-UHFFFAOYSA-N 388.475 3.647 0 40 GHAB Cc1ncsc1-c1cc(C(=O)N2[C@@H]3CN(C)[C@@H]4CCCC[C@H]2[C@]4(C)C3)ccn1 257257893 KRNDBLGYNLRPNW-YNFBMLRVSA-N 396.560 3.991 0 40 GHAB O=C(NCc1ccncc1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257309079 TZLISMYDAHUTOH-UHFFFAOYSA-N 387.483 3.799 0 40 GHAB O=C(c1ccnnc1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257324864 WQMZSKYUNWIYHA-MRXNPFEDSA-N 382.851 3.729 0 40 GHAB CCN(c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1)S(=O)(=O)c1ccccc1 260561582 KLMKZFMQKLGBFJ-MDKPJZGXSA-N 398.528 3.820 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1 260842690 RCYOYYCYLYUXNH-APWZRJJASA-N 398.569 3.572 0 40 GHAB Cc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cnc(C(C)(C)C)nc23)s1 306126431 DVROTEOXJJFLIM-UHFFFAOYSA-N 398.576 3.763 0 40 GHAB c1csc(-c2cnc3n2CC[C@]32CCN(Cc3ccc4c(c3)OCO4)C2)c1 306140114 UKKVCSBXYMLJBM-NRFANRHFSA-N 379.485 3.888 0 40 GHAB CCOc1cc(Br)c(/C=C2/SC(=O)N(CC)C2=O)cc1OC 409098361 QAGMFQCKRXAROV-NTUHNPAUSA-N 386.267 3.913 0 40 GHAB O=C(C[C@H](c1ccsc1)n1cccc1)NCc1cc(F)cc2c1OCOC2 524734762 KPHIASWJGQSMCG-GOSISDBHSA-N 386.448 3.851 0 40 GHAB O=C(CCc1ccc(Cl)cc1)N1CCC[C@]2(CCN2C[C@@H]2CCCO2)C1 585101803 HKSXFUCULRDLJV-FPOVZHCZSA-N 376.928 3.519 0 40 GHAB Cn1ncc(C2CCC2)c1C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 585107093 RWXPHIYSWLLPCP-CQSZACIVSA-N 382.439 3.988 0 40 GHAB CN(Cc1ccc(OCc2ccccn2)cc1)C[C@@H](O)COC1CCCCC1 585262526 KRCQHOZYFUJNJQ-OAQYLSRUSA-N 384.520 3.803 0 40 GHAB O=C(CCc1ccc(F)cc1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909363 XDBGWKKXSGXRSU-QFIPXVFZSA-N 389.442 3.720 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CC[C@H]2[C@@H](COCCN2c2ccc(F)cc2)C1 2037985707 SSUNNBOOUICWRT-UZLBHIALSA-N 388.870 3.847 0 40 GHAB CCn1c(CCNC(=O)c2cccs2)nnc1SCc1ccc(C)cc1 633989 KNYHNDAZJMOUKQ-UHFFFAOYSA-N 386.546 3.933 0 40 GHAB CCCn1c(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)nc2ccccc21 1370960 FLTMGAJQFRPORP-UHFFFAOYSA-N 393.491 3.809 0 40 GHAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(N2CCOC2=O)c1 79072330 BBYBMEAJUINAKP-GOSISDBHSA-N 394.475 3.906 0 40 GHAB O=c1c2c(-c3ccccc3)onc2n(-c2ccccc2)c(=O)n1-c1ccccc1 1857864 IBZGFPOVRGHHMD-UHFFFAOYSA-N 381.391 3.797 0 40 GHAB Cc1nc(C)n(Cc2cccc(NC(=O)N[C@@H](CCCO)c3ccccc3)c2)n1 79023392 PWSUEYALVGTQIB-NRFANRHFSA-N 393.491 3.579 0 40 GHAB Cc1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c(Br)c1 815315 SHBMJMDUAQVPQD-UHFFFAOYSA-N 396.195 3.694 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 4725841 CEPJBEGWTLDWBV-SFAMEIPESA-N 376.522 3.528 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 6057530 CJDTXAINBATZLX-UHFFFAOYSA-N 396.226 3.966 0 40 GHAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccc(F)cc1 6356684 CIANPDPVZLLLRQ-UHFFFAOYSA-N 388.443 3.799 0 40 GHAB CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)c1 6569807 LSPBQVPZHOZFAG-UHFFFAOYSA-N 386.473 3.999 0 40 GHAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cccc(-n2cnnn2)c1 12523377 RCGUKPMUFKCQKC-UHFFFAOYSA-N 382.855 3.558 0 40 GHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2C)cc1 6880324 ATILADNPTPBQHK-UHFFFAOYSA-N 394.924 3.908 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 7688973 SHIGQPBOBNOHDS-LLVKDONJSA-N 393.823 3.550 0 40 GHAB O=C(NCCNc1ncccn1)c1ccccc1OCc1ccc(Cl)cc1 48010621 XZOMQIXJHUNLGD-UHFFFAOYSA-N 382.851 3.551 0 40 GHAB Cc1cnc2c(S(=O)(=O)N(C)Cc3ccc(OC(F)F)cc3)cccc2c1 25062862 LSCDZNNLZLVJFR-UHFFFAOYSA-N 392.427 3.965 0 40 GHAB C[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C1 3214310 LBRQMWPKZSWKIL-HNNXBMFYSA-N 398.956 3.777 0 40 GHAB CSc1ccc(CN(C)C(=O)[C@H](NC(=O)c2cccs2)C(C)C)cc1 25454231 DNHGAGRSSLFYPJ-QGZVFWFLSA-N 376.547 3.883 0 40 GHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(F)cc2cccnc12 25915896 HJXQFTBVOMUXMJ-UHFFFAOYSA-N 394.450 3.793 0 40 GHAB O=CN1CCN(C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CC1 3277291 YHUNGVCFIUCMED-UHFFFAOYSA-N 377.680 3.776 0 40 GHAB COc1ccccc1NCCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl 3273547 FAGSXLSTWJXXOA-UHFFFAOYSA-N 397.258 3.986 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCN(c3ccccc3F)CC2)c(Cl)c1 57439759 XCBFIUBKXPGNPT-UHFFFAOYSA-N 375.875 3.857 0 40 GHAB CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 9936510 WSLSHYYMGLPZDZ-OAHLLOKOSA-N 379.439 3.763 0 40 GHAB CNS(=O)(=O)c1ccc(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cc1 102443473 PYFNZWLQUAVPPC-YVVLLZSASA-N 376.522 3.530 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 27222247 INVIAHBYJKZQCH-SFHVURJKSA-N 397.500 3.610 0 40 GHAB COc1ccc2cc(C(=O)N3CCN(Cc4ccccc4F)CC3)c(C)nc2c1 12768204 FUOMESUADUOEQL-UHFFFAOYSA-N 393.462 3.649 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100117524 XJBXMVVYKZCECZ-RFIAIPCVSA-N 381.520 3.669 0 40 GHAB O=C(CCC(=O)c1cccs1)NC[C@H]1CCCN(Cc2cccs2)C1 58180869 UDJMEIDAHZSWSN-OAHLLOKOSA-N 376.547 3.801 0 40 GHAB COC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12795679 AUGBCPMWHCPXJW-SFHVURJKSA-N 381.428 3.612 0 40 GHAB Fc1ccc(N2CCN(c3nnc(SCc4ccccn4)s3)CC2)cc1 23139864 IPWDSLYUFAGMQZ-UHFFFAOYSA-N 387.509 3.691 0 40 GHAB CC(C)CC(=O)Nc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 12757221 BSCNZBRICCBQHZ-UHFFFAOYSA-N 397.406 3.510 0 40 GHAB Cc1cc(C)c(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c(C)c1 22387052 QOFCBZTWLDBMAS-UHFFFAOYSA-N 394.924 3.978 0 40 GHAB CC(=O)N[C@@H](CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1cccs1 28000123 RSVYAYAKQWHCIB-SFHVURJKSA-N 396.516 3.598 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1cc(F)cc(F)c1 10513002 IFXQBTYPOZOKFT-UHFFFAOYSA-N 391.443 3.588 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 36394778 COYMRZYPHRULTK-CRAIPNDOSA-N 398.507 3.668 0 40 GHAB COc1cc(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 10800945 HOOAGNGUMKKWLF-UHFFFAOYSA-N 388.460 3.655 0 40 GHAB CCn1nc(C)c2c(C(=O)Nc3nnc(-c4ccccc4)s3)cc(C)nc21 36616768 WEMVVIMENHMXRJ-UHFFFAOYSA-N 378.461 3.839 0 40 GHAB Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 111945268 DHDXVQWFPMKHKJ-UHFFFAOYSA-N 376.497 3.768 0 40 GHAB Cc1n[nH]c2ncc(NC(=O)[C@H]3CCn4c(cnc4C4CCCCC4)C3)cc12 95993152 XXMWIGFKHCDIET-HNNXBMFYSA-N 378.480 3.712 0 40 GHAB COC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1ccc(F)c(F)c1 12874280 YUYIMOAGDNDQJC-UHFFFAOYSA-N 378.352 3.672 0 40 GHAB O=C(c1cccc2ccccc12)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 27756054 PAJCWVMXRSJCCS-LJQANCHMSA-N 397.471 3.808 0 40 GHAB CN(Cc1nnc2n1CCC2)C(=O)c1ccc(-c2nc3ccccc3s2)s1 12995185 HCURTAQOUCDHNY-UHFFFAOYSA-N 395.513 3.835 0 40 GHAB Cc1cc(C)n(-c2ccc(S[C@H](C)c3nc(-c4ccncc4)no3)nn2)n1 12939771 VCXSQQVEYVANNY-CYBMUJFWSA-N 379.449 3.577 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@@H]1c1ccc(F)cc1 13095765 RLKFBLWNXBVTPV-GOSISDBHSA-N 398.390 3.632 0 40 GHAB COc1ccc(CN2CCC[C@H](c3nc(C)no3)C2)c(Br)c1OC 64638844 PBZIMYMHIPQQLF-ZDUSSCGKSA-N 396.285 3.537 0 40 GHAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1Cl 13714509 UUSXZSADJIHRQB-UHFFFAOYSA-N 393.270 3.647 0 40 GHAB C[C@@H]1CCc2c(sc3nnn(CC(=O)c4cc5ccccc5o4)c(=O)c23)C1 5183200 KGLXZHGWRNJXLH-LLVKDONJSA-N 379.441 3.607 0 40 GHAB CCC(CC)NC(=O)CSc1nnc(-c2ccccc2Br)o1 5102610 TVMFXXDFHQGNFF-UHFFFAOYSA-N 384.299 3.896 0 40 GHAB Cc1ccc([C@@H](CC(=O)NCCc2ccc(Cl)cc2Cl)NC(N)=O)cc1 14138950 YUYJTRDQVPVIBC-QGZVFWFLSA-N 394.302 3.760 0 40 GHAB CN1CCc2nc(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2C1 14184491 WUHCXBLLOYSQBL-UHFFFAOYSA-N 379.485 3.962 0 40 GHAB CCCCNC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@@H](C)C3 6428770 BRYWXKMIVUVPRY-GFCCVEGCSA-N 393.578 3.611 0 40 GHAB COc1ccc(NC(=O)COc2ccc(C)cc2-n2nc3ccccc3n2)cc1 4523799 UZIIZKXWUIMLMP-UHFFFAOYSA-N 388.427 3.755 0 40 GHAB COc1ccc(OC)c([C@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)c1 4519923 BBXSIJPIPXGZQY-MRXNPFEDSA-N 399.830 3.689 0 40 GHAB CC1CCN(C(=O)CSc2nnc([C@H](C)Oc3ccc(F)cc3)o2)CC1 14249549 XXVNSGHGDJTEAM-ZDUSSCGKSA-N 379.457 3.699 0 40 GHAB COc1cc(OC)c(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1Cl 14237268 YKDIRGIYJCAZSI-CYBMUJFWSA-N 388.851 3.887 0 40 GHAB CCOC(=O)c1c(NC(=O)c2ccncc2)sc2c1CC(C)(C)NC2(C)C 14200439 BYTRDPOUOCRDSI-UHFFFAOYSA-N 387.505 3.732 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2ccccc2Cl)cc1 4982940 BDNOCEBOYRBWDG-UHFFFAOYSA-N 394.924 3.758 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccc(C)cc2)cc1 4928810 PJOQTKRGYPPCLB-FQEVSTJZSA-N 375.428 3.953 0 40 GHAB O=C(Nc1ccc(Cn2cccn2)cc1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 67282015 QTEBTUICRRDLMW-FQEVSTJZSA-N 398.413 3.815 0 40 GHAB CC[C@H]1CCCCN1c1cc(SCC(=O)N2CCc3ccccc32)ncn1 67255885 IVEBHDBRBGNNIC-KRWDZBQOSA-N 382.533 3.927 0 40 GHAB CCN(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)Cc1ccc(Cl)s1 15305340 SHAYMLCNOSVUKM-CYBMUJFWSA-N 391.924 3.987 0 40 GHAB C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 15796642 CPCADYCUPBVNFX-MRXNPFEDSA-N 376.456 3.540 0 40 GHAB Cc1ccccc1OCCn1c(CNC(=O)c2ccco2)nc2ccccc21 15922093 BVEJJXUZQNKJCY-UHFFFAOYSA-N 375.428 3.947 0 40 GHAB COc1cccc(CC(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1 7682183 OEKKCCSQRMDFEC-SNVBAGLBSA-N 383.231 3.510 0 40 GHAB Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)CCc2ccc3ccccc3c2)cn1 95452755 CUCKZBYUXVGXIM-VXKWHMMOSA-N 377.488 3.621 0 40 GHAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)NC1CCCCCC1 7876657 GLLIECXXBQEPTA-AWEZNQCLSA-N 385.537 3.995 0 40 GHAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 8093139 JOEAAWAJUHGHEV-UHFFFAOYSA-N 396.274 3.511 0 40 GHAB C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)NCc2cccc(Br)c2)[C@@H]1C 9553843 SDVLUQRCQQGHKQ-CKEIUWERSA-N 395.341 3.786 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)N[C@H]1CCSc2c(F)cccc21 83859359 XKKCIOPBGXAORZ-BBRMVZONSA-N 388.464 3.844 0 40 GHAB COc1ccc(C[C@H](NC(=O)Cc2c(C)noc2C)c2ccc(OC)cc2)cc1 8752239 QRZNWKHJQWXFKQ-QFIPXVFZSA-N 394.471 3.951 0 40 GHAB CN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCc2ccccc21 9646023 NVSFRBCYJBZLAC-OAQYLSRUSA-N 377.488 3.761 0 40 GHAB O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2 408619890 IEUVDLJOKBZJOO-UHFFFAOYSA-N 382.363 3.603 0 40 GHAB Cc1occc1C(=O)N1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306144293 ZBSLUMXSWGAGAS-GOSISDBHSA-N 387.443 3.713 0 40 GHAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)cc1 408627956 ORFBXDJZOQPQCC-UHFFFAOYSA-N 396.468 3.955 0 40 GHAB O=C1C[C@@H](c2ccccc2O)Cc2c1cnc1nc(Nc3ccccc3)[nH]c(=O)c21 36589817 MQXLITXRGRSDRN-ZDUSSCGKSA-N 398.422 3.680 0 40 GHAB CC[C@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)O 217608178 QFXSCLODYHITTI-UONOGXRCSA-N 376.478 3.635 0 40 GHAB COc1cc(C)c(/C=C2/C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)cc1OC 33644226 BIEAXESOMWKITO-MHWRWJLKSA-N 396.468 3.992 0 40 GHAB COc1ccc(CN2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 72377443 QGSCIPUMUVMOKZ-IBGZPJMESA-N 376.464 3.746 0 40 GHAB CC[C@@H]1CCCCN1C(=O)n1ncc(C(O)(c2ccccc2)c2ccccc2)n1 72138441 DGRUIUDIVFCWMX-HXUWFJFHSA-N 390.487 3.795 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2cccc(C)c2)cc1C(C)C 225124335 JCMPVXTXFJEECS-UHFFFAOYSA-N 377.506 3.793 0 40 GHAB COCCn1c(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc2ccccc21 85878493 YLABNTIUHIWGBZ-UHFFFAOYSA-N 394.471 3.503 0 40 GHAB biogenic COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2N2CCCCC2)c1C 40128639 VKXWOYCROIZJMB-UHFFFAOYSA-N 399.491 3.677 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](OC)c1ccc(Cl)s1 225706449 QEBVVNZUNWIIJZ-LLVKDONJSA-N 396.317 3.730 0 40 GHAB COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CCC(=O)O)c1OC 85344957 JQAPLWVHYYFIBE-SFHVURJKSA-N 396.443 3.555 0 40 GHAB Cc1cc(C)c(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)c(C)c1 223758534 MBKIBQILYNITMQ-UHFFFAOYSA-N 391.880 3.794 0 40 GHAB C[C@H]1Cc2ccccc2N1CCCNC(=O)C1(c2ccccc2)CCOCC1 225551089 KPDSNUGDOGYSJZ-IBGZPJMESA-N 378.516 3.692 0 40 GHAB COCCn1cc(CCC(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc21 95480504 AOFAYSYYYROPJU-QHCPKHFHSA-N 392.499 3.820 0 40 GHAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 257318760 VPFWAUSVIZFSSQ-GOSISDBHSA-N 375.476 3.514 0 40 GHAB COc1ccccc1-c1cc(COC(=O)C[C@H](C)NC(=O)c2ccccc2)on1 26272850 CUBXVLAHIVAWFB-HNNXBMFYSA-N 394.427 3.602 0 40 GHAB Cc1cncc([C@@H]2CCCN(C(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)C2)n1 257332267 XWMCAGKVECNPIL-VFNWGFHPSA-N 398.894 3.728 0 40 GHAB Cc1cc(Nc2ccccn2)cc(C2CCN(CC(=O)N3CCCCC3)CC2)n1 257273326 NGDABZYOFNIMSM-UHFFFAOYSA-N 393.535 3.721 0 40 GHAB COC(=O)c1cccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)c1C 260737388 JPWOAVCFECJWKJ-OAHLLOKOSA-N 397.544 3.909 0 40 GHAB CSc1cc(Br)ccc1C(=O)N1CCCC[C@H]1[C@H]1CCNC1 655476320 ZPOJWGMXKKBIPO-WFASDCNBSA-N 383.355 3.775 0 40 GHAB O=C(Nc1cccc(COCCc2ccccc2)c1)N1CC[C@H](O)C(F)(F)C1 665866195 FNJSYJMVJYWNAW-IBGZPJMESA-N 390.430 3.680 0 40 GHAB O=C(c1cccc(Oc2ccccn2)c1)N1CCN(c2ccccc2F)CC1 96122686 KNEIFJSJNMYNCZ-UHFFFAOYSA-N 377.419 3.975 0 40 GHAB CC(C)CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1(F)CC1)C2 585107466 WXAMWEGFGUQLDT-QFIPXVFZSA-N 382.483 3.668 0 40 GHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC(=O)c1c(F)cccc1F 1775964314 DVHZBGKQXIKVKR-HWLIBYHHSA-N 390.474 3.900 0 40 GHAB biogenic,in-vitro COc1ccccc1OCCNC(=O)N(C)Cc1ccc(OC(F)F)cc1 53520273 HLTNLEYYBVAYKI-UHFFFAOYSA-N 380.391 3.517 0 40 GHAB CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CCN(C3CCN(C)CC3)C[C@@H]1CCO2 1534646901 VJJCKRPTMCOPKL-PMACEKPBSA-N 399.579 3.953 0 40 GHAB CC1(C)C[C@@H]2CN(C(=O)CCCn3cccn3)CC[C@@H]2N1c1cccc(F)c1 1615156931 LDMMEHMNALQANP-XLIONFOSSA-N 384.499 3.708 0 40 GHAB COc1ccc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)nn1 5204241 HRLXNQGHUHJRGV-UHFFFAOYSA-N 375.837 3.606 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)c2c(c1)OCCCO2 5261847 QNYPXWIRNZWXIJ-UHFFFAOYSA-N 388.851 3.590 0 40 GHAB CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCc3cccnc3)c12 5267804 IZLGLZLHOMXLBF-HNNXBMFYSA-N 380.444 3.533 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)cc1OCC 5440927 UNACXNNRJSMFNP-UHFFFAOYSA-N 398.459 3.872 0 40 GHAB Cc1csc2c(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc(C)n12 12087557 FAPAIQGLGCUVGR-UHFFFAOYSA-N 393.509 3.720 0 40 GHAB COc1ccc2c(CN3CCC[C@@H]([C@@H](NC(C)=O)c4nccs4)C3)c[nH]c2c1 12365810 HCLQHOFIPIWWFT-FOIQADDNSA-N 398.532 3.722 0 40 GHAB CCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@@H](O)C4)cc3)cc2c1 13563048 PZWRXHOQUQRDLX-OAQYLSRUSA-N 377.488 3.664 0 40 GHAB O=S(=O)(NCc1ccc(COCC(F)(F)F)cc1)c1ccccc1Cl 14099683 YKJKDEGHTOOPNI-UHFFFAOYSA-N 393.814 3.897 0 40 GHAB C[C@H](C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)n1ccnc1 19077850 ASPIQIRFXKNLDW-LJQANCHMSA-N 389.499 3.619 0 40 GHAB CCN1CCC[C@@](O)(c2nc(C)c(CCOc3ccccc3F)s2)CC1 19705426 RSLFXRHMSBHJMC-FQEVSTJZSA-N 378.513 3.906 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)Cc1ccc(OC)cc1)Cc1ccccc1O2 19591971 FCXMTRDKGUMZSS-UHFFFAOYSA-N 394.515 3.560 0 40 GHAB COc1cc(C(=O)OCC(=O)Nc2cccc(Cl)c2)ccc1OC(F)F 2651757 CZRGYOZIDBVOQW-UHFFFAOYSA-N 385.750 3.746 0 40 GHAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)ccc1N1CCCC1 11324424 JPVCJEPQDPJHMV-UHFFFAOYSA-N 394.443 3.844 0 40 GHAB Cc1cc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)nc(C)n1 1889114149 HNRGVQYVSSFKPK-UHFFFAOYSA-N 379.430 3.860 0 40 GHAB O=C(COc1ccc(Br)cc1)NCc1ccc(Br)cc1 2734961 IGLZZCHPBKYDAL-UHFFFAOYSA-N 399.082 3.907 0 40 GHAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(F)c2)C[S@@](=O)C3)c(C)c1 2724980 UTXWUSUQDYUTNK-MHZLTWQESA-N 383.448 3.643 0 40 GHAB Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 4288071 CXRPKORTGCJKLD-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB COc1ccc(-c2ccc(SCC(=O)N3CCc4ccccc43)nn2)cc1 4355768 MVIGFRQTEPFAMZ-UHFFFAOYSA-N 377.469 3.834 0 40 GHAB CCc1ccccc1NC(=O)C(=O)NCCc1csc(-c2ccc(C)cc2)n1 4570926 AFXBVZGOJRDZMI-UHFFFAOYSA-N 393.512 3.978 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)CCNc2cccc(C(F)(F)F)c2)cc1 4624353 IAEJFJWJVYLYCO-UHFFFAOYSA-N 386.395 3.762 0 40 GHAB Cc1ccc(NC(=O)CSc2nc(CC(=O)NCCC(C)C)cs2)cc1 8852750 QVVFGXUZDDJHRS-UHFFFAOYSA-N 391.562 3.887 0 40 GHAB CC(=O)c1ccc(NC(=O)CCCn2nc(-c3ccccc3)ccc2=O)cc1 11693276 NBHOPWFCEYEXPM-UHFFFAOYSA-N 375.428 3.532 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CSc1ccc(NC(=O)C(C)C)nn1 13702202 CXENGLAJMOGIBQ-UHFFFAOYSA-N 378.885 3.764 0 40 GHAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)NCc1ccc(Cl)cc1 17201080 JHMAMSJRTINOIE-UHFFFAOYSA-N 383.860 3.581 0 40 GHAB COc1ccc(-c2nc(CNc3ncc(Br)cn3)cs2)cc1 1775974546 JBVKXMXBKYTFLJ-UHFFFAOYSA-N 377.267 3.983 0 40 GHAB CSc1ccccc1C(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 44001982 HFGJAZMXTGVWRG-CMDGGOBGSA-N 384.501 3.683 0 40 GHAB COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)Cn1c(=O)oc2ccccc21 12417591 IRRDCTZCTMIWPI-AWEZNQCLSA-N 380.444 3.922 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10445821 OCZAWRJUTYIYMW-HNNXBMFYSA-N 386.879 3.985 0 40 GHAB CC(C)c1noc2ncc(C(=O)N[C@@H]3CCC[C@@H](OCC(F)(F)F)C3)cc12 40081019 UCBGEBRLOVVLGI-CHWSQXEVSA-N 385.386 3.966 0 40 GHAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](c2nnc3ccccn23)C1 40011998 ZBCJCBRLMIMJBH-MRXNPFEDSA-N 389.484 3.873 0 40 GHAB COc1cccc(NC(=O)[C@@H](C)n2nc(-c3cc(C)ccc3C)ccc2=O)c1 20095535 SRVTZFMLBUVUFB-MRXNPFEDSA-N 377.444 3.735 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)N[C@H](c2cccs2)C2CCCC2)c1 32396502 MNWLDAPHSYZFHI-KRWDZBQOSA-N 378.519 3.781 0 40 GHAB CCCNC(=O)[C@H]1CN(C(=O)Cc2coc3cc(C)ccc23)c2ccccc2O1 32678556 GUPUFLHGAMDLNV-OAQYLSRUSA-N 392.455 3.604 0 40 GHAB CC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)NCc1ccc(F)cc1 32902146 OKIGOWIIDZMJAX-UHFFFAOYSA-N 399.447 3.795 0 40 GHAB Cc1cc2oc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C)c2cc1Cl 634108 XUTLBTGQFNYTNW-UHFFFAOYSA-N 378.837 3.603 0 40 GHAB Fc1ccccc1-c1nc(-c2ccncc2)ncc1-c1nnnn1-c1ccccc1 721453 LMUOQUVYRBQCLB-UHFFFAOYSA-N 395.401 3.987 0 40 GHAB Cc1ccc(=O)n([C@H](C(=O)N[C@@H](C)c2ccccc2)C(=O)c2ccc(F)cc2)c1 819549 OIFOIKKGNJJSNA-KKSFZXQISA-N 392.430 3.597 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)o1 875866 CLFNYWOHXIHOCW-GJZGRUSLSA-N 375.494 3.839 0 40 GHAB Cc1ccc(CN(Cc2cc3cccc(C)c3n3nnnc23)C(=O)C2CC2)cc1 1376833 RHNKDUZLJWZQAA-UHFFFAOYSA-N 385.471 3.833 0 40 GHAB Cc1cc(OC(=O)CNC(=O)OCc2ccccc2)c2c(C)c(C)c(=O)oc2c1 2095148 XVQLAISMUGDGBS-UHFFFAOYSA-N 395.411 3.550 0 40 GHAB biogenic Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NC1CCCCC1 2782267 GIRJQKKRCXQFFR-VIFPVBQESA-N 382.224 3.983 0 40 GHAB CCN(C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1cccc2ccccc12 3277926 ODEIFUNIVGCCGA-UHFFFAOYSA-N 393.487 3.693 0 40 GHAB Brc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)cc1 4511806 CZEDLCTXQAIPCF-UHFFFAOYSA-N 377.223 3.787 0 40 GHAB CCOc1ccc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 4888440 QHDBTJJNSHHMHV-UHFFFAOYSA-N 385.439 3.651 0 40 GHAB Cc1c(C(=O)Nc2nnc(C(C)C)s2)nnn1-c1cccc(C(F)(F)F)c1 4938697 FZYBPCAFXMRYMA-UHFFFAOYSA-N 396.398 3.822 0 40 GHAB CC(C)c1ccc(NC(=O)CCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 5428598 VBRJLAWTJIXHEB-FQEVSTJZSA-N 391.471 3.528 0 40 GHAB Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 6205000 FBFJDZNCYJFUQM-UHFFFAOYSA-N 394.452 3.736 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2cccc(F)c2)c1 6882288 JGTSXKHIELKEOF-UHFFFAOYSA-N 398.459 3.832 0 40 GHAB Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2c(F)cccc2F)c1 7509010 OVKMLIHEFCAFCP-UHFFFAOYSA-N 392.365 3.620 0 40 GHAB O=C(Nc1ccccc1F)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 7669237 TXVMALNKAPSJBW-HXUWFJFHSA-N 398.459 3.771 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1(c2ccccc2)CC1 7768582 OGXADJXXILSEEN-UHFFFAOYSA-N 384.501 3.532 0 40 GHAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2cccc3cccnc23)CC1=O 7929366 MVNQGTBPPWXNFE-INIZCTEOSA-N 376.412 3.592 0 40 GHAB CC(C)(C)c1ccc(-c2nnc(NC(=O)[C@@H]3COc4ccccc4O3)[nH]2)cc1 8115549 AOYGGRZOHIRQSQ-KRWDZBQOSA-N 378.432 3.548 0 40 GHAB Cn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 8744841 YLWYPCZPBSILSY-AWEZNQCLSA-N 376.844 3.593 0 40 GHAB CCCCc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4[nH]cnc34)C2)cc1 9059656 HAZOMTFFSCYQMS-INIZCTEOSA-N 378.480 3.551 0 40 GHAB OCCNc1nc(Nc2cccc(Cl)c2)c2cnn(-c3ccccc3)c2n1 9622550 TYRQOBPGMFUSGL-UHFFFAOYSA-N 380.839 3.617 0 40 GHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 9990104 BNBQXEGJFFEFQN-QPJJXVBHSA-N 395.430 3.732 0 40 GHAB Cc1ccc(-n2c(S[C@H](C)C(=O)NC(C)C)nnc2N2CCCCC2)cc1 10194959 CVTBFXFEFBNQPW-MRXNPFEDSA-N 387.553 3.571 0 40 GHAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 10252966 KPIYVAXBIYEEMY-UHFFFAOYSA-N 394.905 3.925 0 40 GHAB CCc1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 10330327 SSNAPWFSRMQYCS-UHFFFAOYSA-N 388.533 3.951 0 40 GHAB COc1ccc(CCCNS(=O)(=O)Cc2ccc(Br)cc2)cc1 10543198 YTSRJDLCRHMAPM-UHFFFAOYSA-N 398.322 3.510 0 40 GHAB O=C(Nc1ccccc1)c1ccc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 11292555 QQHNXOIEKQMEAF-OAQYLSRUSA-N 399.450 3.602 0 40 GHAB CCNC(=O)[C@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 11412816 PMPPPIMUKPAINA-INIZCTEOSA-N 391.471 3.582 0 40 GHAB Cc1sc(-c2cccc(Cl)c2)nc1C(=O)N1CCN(c2ncccn2)CC1 11866075 QGNUJRJGDCPTBM-UHFFFAOYSA-N 399.907 3.524 0 40 GHAB COc1ccccc1CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 12087773 CAQZROIURIZLAJ-UHFFFAOYSA-N 375.472 3.774 0 40 GHAB COc1cccc(CN(C)Cn2ncn(-c3ccccc3C)c2=S)c1OC 12595572 PWGNIROGXIXIDM-UHFFFAOYSA-N 384.505 3.818 0 40 GHAB Cc1ccn2c(NC(=O)Cn3c(=O)oc4ccccc43)c(-c3ccccc3)nc2c1 12601352 PBWLVXAQEDMFPN-UHFFFAOYSA-N 398.422 3.856 0 40 GHAB O=C(CCc1ccc2c(c1)OCCO2)N1CCC(c2nc3ccccc3o2)CC1 12744996 VWOYXIIEFSHMQK-UHFFFAOYSA-N 392.455 3.938 0 40 GHAB COc1cc(C2=NN=C(N[C@H]3CCCC[C@H]3C)SC2)cc(OC)c1OC 12797718 GCHFNXMRXQKPCQ-OCCSQVGLSA-N 377.510 3.688 0 40 GHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(Br)cc1F 12877239 SIHOVEAFKLSLPJ-UHFFFAOYSA-N 388.240 3.763 0 40 GHAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(OC(C)C)cc2)cc1 12896126 ZLAADSCRDLTISI-JOCHJYFZSA-N 382.504 3.586 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 12912609 OWIDKHDTAUMZJU-QGZVFWFLSA-N 379.865 3.556 0 40 GHAB CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 12991703 KDBOFVVRMLPHDD-LJQANCHMSA-N 379.453 3.663 0 40 GHAB CC[C@@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccc(C)cc1 13000964 CQQQWDBLEKYTMK-MRXNPFEDSA-N 395.528 3.982 0 40 GHAB CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715293 DGNUZFGZWLDGKS-GOSISDBHSA-N 378.469 3.626 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)NCC1(N2CCCCC2)CCCCC1 14241003 BPGLCVQMSAFXPX-UHFFFAOYSA-N 396.535 3.800 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1 14832909 UZCAWJSOXPAQOB-UHFFFAOYSA-N 379.243 3.718 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 15480011 IJFHYVRUILYFPV-MRXNPFEDSA-N 379.508 3.762 0 40 GHAB Cc1cc(S(=O)(=O)[C@@H](CNC(=O)C2CCCCC2)c2ccco2)ccc1F 15781296 MOJUGUWACREKRF-IBGZPJMESA-N 393.480 3.939 0 40 GHAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 16097146 QXDBDOOKRJXSOF-ZDUSSCGKSA-N 399.472 3.583 0 40 GHAB CCOc1ccc(Cc2n[nH]c(Nc3cc(Cl)ccc3OC)nc2=O)cc1 16777461 DNWHPJYIZLQPEU-UHFFFAOYSA-N 386.839 3.560 0 40 GHAB O=C(NCc1cccc(F)c1)c1cc([C@H]2CCCN(Cc3cccnc3)C2)no1 19293926 RDNOESVFLYSORX-SFHVURJKSA-N 394.450 3.518 0 40 GHAB O=C(c1ccc(Cn2ccnc2)o1)N1CCC[C@@H](COc2ccc(F)cc2)C1 19335836 IKVDQCKVIBBIHD-MRXNPFEDSA-N 383.423 3.595 0 40 GHAB CN(C)c1ncc(-c2ccncc2)c([C@@H]2CCCN2C(=O)c2cccc(F)c2)n1 19585311 ATUOCGULUJIVCG-IBGZPJMESA-N 391.450 3.721 0 40 GHAB CN(C(=O)COc1ccccc1F)C1CCC2(CC1)CNCc1ccccc1O2 19586656 LLZHROLUANTGHQ-UHFFFAOYSA-N 398.478 3.527 0 40 GHAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cnn(C)c4)CC3)c2)cc1 19691079 HPOYAJBCCWEEOS-UHFFFAOYSA-N 390.487 3.819 0 40 GHAB CC[C@H](NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)cc1 19932804 SENSPGJBZVWRRO-KXBFYZLASA-N 392.496 3.556 0 40 GHAB Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 20111641 LMIVKQABECOGFT-UHFFFAOYSA-N 386.517 3.659 0 40 GHAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccccc1Br)CC(O)=N2 20723312 OLSUCQPEXCONBC-GFCCVEGCSA-N 384.237 3.857 0 40 GHAB CCCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 20970990 YXDBSCHKZCSKPW-UHFFFAOYSA-N 399.922 3.970 0 40 GHAB O=C(c1sc2ccccc2c1Cl)N1CCN(C(=O)N2CCCCC2)CC1 22476473 OMTHNBPEJVLSMY-UHFFFAOYSA-N 391.924 3.918 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 23137294 ACHBDFVMINKCAJ-MRXNPFEDSA-N 397.500 3.515 0 40 GHAB CSc1ccccc1NC(=O)[C@@H](C)N1CCN(Cc2ccsc2)CC1 23263649 QKJVYDLOXQJZKK-OAHLLOKOSA-N 375.563 3.615 0 40 GHAB COc1ccc(CCNC(=O)NCc2ccc(Br)s2)cc1OC 24744776 FRYIQFCYTNISPM-UHFFFAOYSA-N 399.310 3.570 0 40 GHAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCC[C@H]3c3ccccc3)c2C)n1 24753392 PHCYDJVTKHUXBY-NRFANRHFSA-N 389.503 3.802 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c1 24928394 XJARJQPQRLQPOG-INIZCTEOSA-N 392.546 3.713 0 40 GHAB COCCOc1cc(NC(=O)c2cc3ccc(F)cc3nc2C)ccc1OC 24939334 QKVVGYKGYTUJNV-UHFFFAOYSA-N 384.407 3.968 0 40 GHAB CN(C)[C@H](CNC(=O)/C=C/c1cccc(Br)c1)c1ccsc1 25810869 KBMKJVHLXNPAOH-FYCOFBDGSA-N 379.323 3.943 0 40 GHAB COc1ccc(CSc2nnc([C@H]3COc4ccccc4O3)o2)cc1OC 28285554 VFGRWHCDFNSZRL-QGZVFWFLSA-N 386.429 3.892 0 40 GHAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc2c(c1)OCCO2 32609688 MLJUFDDSVQCZEI-UHFFFAOYSA-N 387.798 3.747 0 40 GHAB O=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)cc21 32754617 VIWMPCZLBCOTSH-UHFFFAOYSA-N 394.427 3.578 0 40 GHAB COc1ccc(C(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1Cl 32789466 SEFLOWGQUMMPOH-UHFFFAOYSA-N 390.892 3.955 0 40 GHAB C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1cccc(NS(C)(=O)=O)c1 32916073 VBDMPVRLMUJOME-JTQLQIEISA-N 387.288 3.856 0 40 GHAB Cc1c(C(=O)NC(C)C)sc2ncn(Cc3ccc(Cl)cc3)c(=O)c12 36359081 WHUXVQYAVQYEQJ-UHFFFAOYSA-N 375.881 3.606 0 40 GHAB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC(CN2CCCCCC2)CC1 40121844 MGYXQMBMOKYVKV-RTBURBONSA-N 389.588 3.769 0 40 GHAB CN(Cc1ccccc1OC(F)(F)F)Cn1nc(-c2ccccc2)ccc1=O 40155529 NMARJLXOOSQSNV-UHFFFAOYSA-N 389.377 3.898 0 40 GHAB Cc1nnc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)s1 40267781 IRPCYBKZIKCMNJ-UHFFFAOYSA-N 383.429 3.806 0 40 GHAB Cc1ccc(C(=O)N2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 42939154 IUROTRRFCOAACV-UHFFFAOYSA-N 382.891 3.665 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 47539433 FLNIXVDVIZIFGR-UHFFFAOYSA-N 381.904 3.576 0 40 GHAB Cn1c(-c2cccc(NC(=O)c3cccc(NC(N)=O)c3)c2)nc2ccccc21 48310332 XINGMTKULLURTC-UHFFFAOYSA-N 385.427 3.983 0 40 GHAB O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)Nc1ccccc1C(F)(F)F 49383203 XQAFWULPHCLTDB-UHFFFAOYSA-N 399.319 3.864 0 40 GHAB O=C(CN1CCCCCCC1=O)Nc1nnc(-c2ccccc2Cl)s1 56249155 BVYAZBMCOVOOKF-UHFFFAOYSA-N 378.885 3.590 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1cccs1 56945823 QCOMHLXUCMKTKK-SFHVURJKSA-N 399.491 3.774 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)CN[C@@H](c2ccccc2)c2cccs2)cc1 57383574 LFMZAFWZEJDMRY-NRFANRHFSA-N 393.512 3.768 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC(C)C)nc3ccsc3c2=O)cc1C 57428549 IQGBJMRTJHPFIC-UHFFFAOYSA-N 387.530 3.681 0 40 GHAB CCOC(=O)N[C@@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)CC(C)C 58847891 QGUKXJDNAKYFCS-CQSZACIVSA-N 375.391 3.988 0 40 GHAB COc1cc(NC(=O)c2cnn(C)c2-n2c(C)ccc2C)c(OC)cc1Cl 60032425 CPKMNQJGPUKEFA-UHFFFAOYSA-N 388.855 3.751 0 40 GHAB CCOC(=O)/C(=C\Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(F)cc1F 67340350 PHDINRQVDVENKG-LDADJPATSA-N 395.427 3.818 0 40 GHAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccn(CCc2ccncc2)n1 67890714 NZFMSQMKUHGXJB-NTEUORMPSA-N 388.880 3.587 0 40 GHAB Cc1c(C(=O)NCc2ccc(-n3ccnc3)cc2)oc2c1C(=O)CC(C)(C)C2 69393701 GNKRWVAAPFHQKO-UHFFFAOYSA-N 377.444 3.859 0 40 GHAB CCn1c(SCC(=O)NC[C@H](c2cccs2)N(C)C)nc2ccccc21 70690519 FOVPFBHWQBKBLB-MRXNPFEDSA-N 388.562 3.629 0 40 GHAB O=C(c1nnn(-c2ccccc2)c1-c1ccccn1)N1CCC[C@H]1c1cccnc1 77199877 SFOITVQJWWRAQY-FQEVSTJZSA-N 396.454 3.702 0 40 GHAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1C1=Cc2ccccc2OC1 79190445 NNAHMLLQXGJSHP-NQIIRXRSSA-N 390.391 3.677 0 40 GHAB biogenic Cc1ccc(NC(=O)CSc2cc(N3CCSCC3)ncn2)cc1Cl 90610128 HCRUPMFCSFHWQA-UHFFFAOYSA-N 394.953 3.722 0 40 GHAB Cn1ccnc1COc1ccc(CN(CCO)[C@@H]2CCCc3ccccc32)cc1 95959697 OYBWUJJNGLAJEU-HSZRJFAPSA-N 391.515 3.871 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc23)o1 96053010 PPMZVKJRYOYJOA-QGZVFWFLSA-N 392.499 3.918 0 40 GHAB O=C(Cc1cccs1)N1CCC(Oc2ncccc2Br)CC1 96096962 NOKVDSJZAOABKP-UHFFFAOYSA-N 381.295 3.518 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)N2CCCc3c(NC(C)=O)ccc(C)c32)c1 97050455 ZIYIUWJDAOLPEE-XYOKQWHBSA-N 394.471 3.963 0 40 GHAB COC(=O)[C@@]1(Cc2cccc(F)c2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186543 CPGPVEFITTVHQH-TXTKFYIRSA-N 381.447 3.534 0 40 GHAB Cc1ccn([C@@H](C(=O)c2ccc(Cl)cc2Cl)C(=O)N2CCCC2)c(=O)c1 199402237 RQWOZEXLUIIEPE-KRWDZBQOSA-N 393.270 3.510 0 40 GHAB CCOc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)NC2CCCC2)ccc1O 199426582 KONNPPJRDHAYNK-OAQYLSRUSA-N 394.515 3.777 0 40 GHAB COC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)c1 216027090 MTWKAWQNAOGZOC-UHFFFAOYSA-N 383.429 3.562 0 40 GHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)c(OC)c1OC 219602718 JRZCDJNSVKKWHI-MRXNPFEDSA-N 393.867 3.840 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 222986039 DQUBTVHKNSDUFI-SFHVURJKSA-N 382.504 3.571 0 40 GHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)n1C 224007537 UNQHABRSQDXYAK-PMACEKPBSA-N 392.484 3.634 0 40 GHAB Cc1ccc(C)c(OCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 224040384 SQAUYQIRTZIBKW-HXUWFJFHSA-N 384.495 3.850 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccccc2C)[C@H](C)C(=O)NCC(C)C)cc1 224175387 SNTDYPCDMFTWPS-HXUWFJFHSA-N 396.531 3.872 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 224547421 RVUAMGWPGOKGQB-JOCHJYFZSA-N 396.531 3.817 0 40 GHAB CCOC(=O)c1cc(NS(=O)(=O)c2c(C)cc(OC)cc2C)ccc1Cl 224548601 WYGAGAWHRXWUIB-UHFFFAOYSA-N 397.880 3.943 0 40 GHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1 225457736 DBCOPBLAAWWDPT-RXVVDRJESA-N 382.504 3.788 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 225586300 NISCBAIKLOCRRJ-OAHLLOKOSA-N 390.886 3.964 0 40 GHAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 225799145 DCNIBJHJMGLYPJ-UHFFFAOYSA-N 386.517 3.659 0 40 GHAB CCOc1cccc(NC(=S)NCc2nc(-c3cccc(OC)c3)no2)c1 225822642 DNFAKZMGPPUQJA-UHFFFAOYSA-N 384.461 3.631 0 40 GHAB O[C@]1(c2cccnc2)CCC[C@@H]2CN(Cc3cc4c(cc3Cl)OCO4)C[C@H]21 248005608 SSUXVZYXEZIFCA-ZVGUJKQYSA-N 386.879 3.583 0 40 GHAB COc1ccc(C2(C(=O)N3CCC[C@H]3c3cncc(N(C)C)n3)CCCC2)cc1 257297985 RJPWGDXGOWWJOK-FQEVSTJZSA-N 394.519 3.727 0 40 GHAB Cc1cc(O)nc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1 512294344 XDWXYSRHEPCDHN-UHFFFAOYSA-N 394.456 3.665 0 40 GHAB CCc1nn(C)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 539170335 PVGUUBFQLKFUOD-HNNXBMFYSA-N 392.459 3.591 0 40 GHAB C[C@H]1COC(C)(C)CN1C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 574579823 DZSPHZLGXOPMMU-HNNXBMFYSA-N 380.916 3.597 0 40 GHAB O=C(NCC[C@H]1CC1(F)F)Nc1ccnn1Cc1cccc(Br)c1 621456585 NORQBESMKYYESJ-LBPRGKRZSA-N 399.239 3.861 0 40 GHAB CCS(=O)(=O)c1ccc(CNC(=O)N[C@@]2(c3ccccc3)CC2(C)C)s1 664781360 PGHIRQKHEWEICT-LJQANCHMSA-N 392.546 3.666 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H]1C[C@@H]1c1cccnc1 684869087 HTVMAFXKRPPWDI-MJGOQNOKSA-N 380.879 3.883 0 40 GHAB Cc1cccc(NC[C@@H]2CCCN2C(=O)c2csc(-c3ncccc3F)n2)n1 1116441590 YYDAVEPKGIMSFD-AWEZNQCLSA-N 397.479 3.764 0 40 GHAB Cc1ccc(OCC2(O)CCN(C(=O)c3cc(F)ccc3F)CC2)cc1C 2037912917 CXMPSBWWAPFFGW-UHFFFAOYSA-N 375.415 3.628 0 40 GHAB CC(C)c1snnc1C(=O)NC1CC2(CCN(Cc3ccccc3)CC2)C1 2056226292 OPQNGVHDDKYMBD-UHFFFAOYSA-N 384.549 3.836 0 40 GHAB CCC(=O)N1[C@@H](c2ccccc2OC)c2[nH]c3ccccc3c2C[C@@H]1C(=O)O 3028911 IYQGTJWDLAMAKB-UTKZUKDTSA-N 378.428 3.514 0 40 GHAB CN1CN(c2ccccc2)C2(CCN(CCc3cc4ccccc4o3)CC2)C1=O 1664543 OWLPADOZBKAFJS-UHFFFAOYSA-N 389.499 3.746 0 40 GHAB O=C(OCc1ccc(F)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 935784 VDVNDENYSLCEGZ-UHFFFAOYSA-N 375.355 3.983 0 40 GHAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 4659702 GMUBXYGFPJMNFP-SLDRDFCHSA-N 377.827 3.883 0 40 GHAB COc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(OC)c1 6047307 ZJTFDDXVSYNOGE-URLQWDBASA-N 378.465 3.865 0 40 GHAB Cc1ccnc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)cs2)c1 6681155 ZIUJNMFNGFHTCC-UHFFFAOYSA-N 387.486 3.529 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccc2c(c1)OCCCO2 7321934 ADSCESHERIENKL-UHFFFAOYSA-N 387.741 3.565 0 40 GHAB Cc1cccc2cc(CN(C[C@@H]3CCCO3)C(=O)NC3CCCCC3)c(=O)[nH]c12 8666386 ZICKWXLZIKXFSW-FQEVSTJZSA-N 397.519 3.860 0 40 GHAB O=C(Nc1ccc(-n2ccnc2)c(F)c1)C1(c2cccc(F)c2)CCOCC1 57235801 AOGPUFHCXUBYDJ-UHFFFAOYSA-N 383.398 3.837 0 40 GHAB CCOC(=O)c1oc2ccccc2c1CN1Cc2ccccc2C[C@H]1C(=O)OC 35380303 UBJSCQCQHJTXRG-IBGZPJMESA-N 393.439 3.709 0 40 GHAB CC(C)[C@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(F)cc1 25105299 LZUDCAPQESSDIE-QFIPXVFZSA-N 399.510 3.854 0 40 GHAB Cc1cc(N2CCOCC2)ccc1N[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F 27181876 QWVVXRPDOUJEPM-ZDUSSCGKSA-N 393.409 3.688 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)CSCc2csc(C)n2)cc1 27223165 DNCZGVQHOKTFBK-UHFFFAOYSA-N 377.535 3.805 0 40 GHAB COCCn1ncc2ccc(NC(=O)CCC(=O)c3ccc(C)c(C)c3)cc21 57996991 BMFWGRGFONVLBS-UHFFFAOYSA-N 379.460 3.901 0 40 GHAB Cc1ccn2cc(C(=O)Nc3nc(CN4C[C@@H](C)C[C@@H](C)C4)cs3)nc2c1 58139074 SKDVIURDVWHCDP-GASCZTMLSA-N 383.521 3.829 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 20050496 WOZXAVFUQDSKIK-INIZCTEOSA-N 392.496 3.558 0 40 GHAB CCOc1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2cccnc2)cc1OC 100148462 OTOUENIWRBCGQK-WOJBJXKFSA-N 382.504 3.609 0 40 GHAB COc1ccc(CSc2nnc(S[C@@H]3CCCCNC3=O)s2)cc1 28248846 SEXFQXGIEMSPQH-CYBMUJFWSA-N 381.548 3.600 0 40 GHAB CC(=O)c1cc(C(=O)N(Cc2cccc(Br)c2)C2CC2)n(C)c1 45399026 PGUOWMRASIUIAK-UHFFFAOYSA-N 375.266 3.795 0 40 GHAB Cc1cc(/C=C/C(=O)N2CCN(c3ccncc3)CC2)c(C)n1Cc1ccco1 12785708 NSOTXIPFAPCVQQ-AATRIKPKSA-N 390.487 3.503 0 40 GHAB O=C(Nc1ccccc1OCC(F)(F)F)c1ccc(Cn2cncn2)cc1 11291726 WAMVSROLOJAALD-UHFFFAOYSA-N 376.338 3.520 0 40 GHAB C[C@H](NC(=O)/C=C/c1ccccc1OC(F)F)c1ccc(NC(N)=O)cc1 45782025 QDRCJCFXBOUZTR-OBIHZWKSSA-N 375.375 3.669 0 40 GHAB COC(=O)c1ccc(NCC2(c3cccc(Br)c3)CCC2)nn1 60452456 JEITXIYOPDLVKZ-UHFFFAOYSA-N 376.254 3.560 0 40 GHAB Cc1cccc(C)c1OC[C@@H](O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 12886807 GOKRRLGOIWKQBF-AWEZNQCLSA-N 393.270 3.760 0 40 GHAB COc1ccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)c(OC)c1 12861157 UIHLGZSLNLZDBJ-UHFFFAOYSA-N 398.488 3.962 0 40 GHAB O=C(CN1CSCC1=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 12809294 DKSCXYDOBORWPF-UHFFFAOYSA-N 395.509 3.949 0 40 GHAB CCOc1ccccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12974123 QQKQKJMZLNZPHH-UHFFFAOYSA-N 397.500 3.764 0 40 GHAB O=C(NCc1cccs1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 23143224 HQACQHVJWLSJTE-UHFFFAOYSA-N 396.491 3.877 0 40 GHAB CCOC(=O)c1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 13957912 CIOKPJVVKYHHRP-UHFFFAOYSA-N 393.443 3.964 0 40 GHAB CCCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n[nH]c1=O 6582701 OUWYGANTPDLHGA-MRXNPFEDSA-N 386.452 3.593 0 40 GHAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 4676382 GYFSZDRVPUDPGN-UHFFFAOYSA-N 389.858 3.547 0 40 GHAB CCCOC(=O)c1cc(NC(=O)c2ccc(C)c(C)c2)ccc1N1CCOCC1 4711625 ITPRFAPMSMDJQO-UHFFFAOYSA-N 396.487 3.959 0 40 GHAB CCOc1ccc(OCCCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 4901829 FSWVJVUAMCCKIN-UHFFFAOYSA-N 384.476 3.720 0 40 GHAB O=C(O)c1ccc2c(O)nc3c(C(=O)Nc4ccccc4)sc(=S)n3c2c1 67341337 SKKONHZSRMSIMO-UHFFFAOYSA-N 397.437 3.935 0 40 GHAB COc1cc(C(=O)N2CCN(c3ccccc3)CC2)nc2c(C)cc(F)cc12 71768887 RQUJJMYKACOTAK-UHFFFAOYSA-N 379.435 3.653 0 40 GHAB O=C(NCCCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7652060 AENXPPYHFRAFIG-LJQANCHMSA-N 384.907 3.941 0 40 GHAB CC(C)[C@H]1C[C@@](CC(=O)N2CCOCC2)(Cc2ccccc2Cl)CCO1 9547941 MPWFRYDAKBWWJY-CTNGQTDRSA-N 379.928 3.953 0 40 GHAB CCn1cc(C(=O)N2CCCSc3ccccc32)c(=O)c2ccc(C)nc21 7777767 BPATUPCIBDMMKI-UHFFFAOYSA-N 379.485 3.867 0 40 GHAB Cc1ccc(C(=O)CCC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 16142633 COXPNWBRAUQNME-UHFFFAOYSA-N 392.499 3.900 0 40 GHAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1nn(-c2ccccc2C(F)(F)F)cc1O 71827918 XUEBPBYVLKEAPJ-UKRRQHHQSA-N 387.361 3.883 0 40 GHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(s1)CCCCC2 8013806 CRMYGBJKSLDDPJ-UHFFFAOYSA-N 381.501 3.916 0 40 GHAB Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccccc1OC(F)F 8025656 SAGQRWBXTJNGQB-UHFFFAOYSA-N 390.415 3.908 0 40 GHAB COc1ccc(C)cc1[C@@H](C)NC(=O)C1CCN(C(=O)c2cccs2)CC1 8130252 QLGBJLCNXATGQX-OAHLLOKOSA-N 386.517 3.795 0 40 GHAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 16780646 RBXVMDLQPXNBOG-UHFFFAOYSA-N 394.246 3.665 0 40 GHAB CN(C)C(=O)[C@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 8392872 WKDGANBTYTZONH-GOSISDBHSA-N 389.484 3.737 0 40 GHAB CCC(C)(C)NC(=O)CSc1nnc(NCc2ccc(OC)cc2)s1 8775550 WVOVUPFTYRMGSV-UHFFFAOYSA-N 380.539 3.556 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1C 8882537 QCLTWWUFRICVGO-KRWDZBQOSA-N 382.460 3.625 0 40 GHAB CCc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@@](O)(C(F)(F)F)C2)cc1 409096358 JVPKMKNGGUVXDM-SFHVURJKSA-N 380.341 3.889 0 40 GHAB C[C@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(F)cc1 20043952 BWTOFCDVDWAYAJ-STQMWFEESA-N 398.887 3.511 0 40 GHAB Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 32611057 DFHRXCYOPMFJLL-UHFFFAOYSA-N 388.515 3.662 0 40 GHAB O=C(O)CN1C(=O)S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O 409138228 YZGZBFKIPXDYKD-MDWZMJQESA-N 396.346 3.617 0 40 GHAB CNc1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)NC(C)(C)C2)cn1 36740466 VUDAHSSSTCCGDF-UHFFFAOYSA-N 385.531 3.969 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccccc1-n1ccnc1 38752655 BTAIYWJUIYRRJK-UHFFFAOYSA-N 376.243 3.874 0 40 GHAB CCOC(=O)c1ccc2[nH]c(CSCC(=O)Nc3ccccc3)cc(=O)c2c1 33063771 JKEJYGABLYPIMF-UHFFFAOYSA-N 396.468 3.577 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C)c(C)c1 219220400 REGPQLFIRUBLJS-HXUWFJFHSA-N 386.517 3.860 0 40 GHAB CCC(CC)C(=O)Nc1cccc(OCc2cc(=O)n3ccc(C)cc3n2)c1 33268612 ZFWZWSCVCYOLEY-UHFFFAOYSA-N 379.460 3.957 0 40 GHAB CCCCCNS(=O)(=O)c1ccc(NCCc2ccccc2)c(C(=O)O)c1 217649757 IBKKIYQNTFVWOB-UHFFFAOYSA-N 390.505 3.508 0 40 GHAB COc1ccccc1C(=O)N1[C@@H](C(=O)O)COC12CCC(C(C)(C)C)CC2 71980507 JQXIYJUEBYHTMT-JERHATOGSA-N 375.465 3.553 0 40 GHAB COc1ccccc1CNC(=O)c1sc(=S)n(Cc2ccccc2)c1N 32952213 UGEUYRJOLUMQRV-UHFFFAOYSA-N 385.514 3.848 0 40 GHAB CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)C(C)C)CC1 72345240 AGUNHQDLXXFOEQ-UHFFFAOYSA-N 393.531 3.692 0 40 GHAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)Cc2ccccn2)n1 72357941 MSFCFQVTOGTKLD-JOCHJYFZSA-N 387.483 3.982 0 40 GHAB Cc1csc(C(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 44005326 PAFYBPPEPVBOOV-UHFFFAOYSA-N 375.469 3.870 0 40 GHAB O=C(Cc1ccccc1)NCCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117515 VXVMRMMCHKOLCS-HSZRJFAPSA-N 382.479 3.922 0 40 GHAB Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225470252 YLSRKFVVMUUGEB-LJQANCHMSA-N 382.504 3.624 0 40 GHAB CCOc1ccc(-c2noc(CNC(=S)Nc3cccc(OC)c3)n2)cc1 225829895 FNUDHXHHVIHRAI-UHFFFAOYSA-N 384.461 3.631 0 40 GHAB COc1ccc(CCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225316008 VNGBLUODPGUIPG-UHFFFAOYSA-N 397.544 3.850 0 40 GHAB COc1ccc(N2C[C@@H](c3noc(-c4cccc(Cl)c4)n3)CC2=O)cc1OC 44417741 JVBINQSPBYOQSQ-ZDUSSCGKSA-N 399.834 3.928 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1F 225100803 UUJHAPMQDKCRAF-LJQANCHMSA-N 386.467 3.538 0 40 GHAB Cc1c(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)cnn1[C@H]1CCOC1 529455980 BVXMNBDGDBCKGP-KRWDZBQOSA-N 375.419 3.882 0 40 GHAB Cc1cc2cc(NC(=O)N3CC4(CCC4)[C@H]3C3CCOCC3)ccc2n(C)c1=O 572514151 JYJQWRGHSBHGDG-HXUWFJFHSA-N 395.503 3.660 0 40 GHAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1 220262075 AXDGWBLGEGTXIZ-ZDUSSCGKSA-N 380.897 3.696 0 40 GHAB CC(C)(C)NC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC2)n1 225894180 AINLAOHFVPAQFX-UHFFFAOYSA-N 376.574 3.542 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)CC(C)(C)c2ccccc2)ccc1C 225776360 RYMXFXKAZOGIAZ-MRXNPFEDSA-N 389.517 3.816 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 44900213 JACOWCZIPDBFBH-OAHLLOKOSA-N 394.924 3.600 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc2noc(-c3ccccc3)c2c1 80358538 KBZJXDLWRXOAIL-FQEVSTJZSA-N 386.407 3.921 0 40 GHAB CC(C)(C)OC(=O)N[C@H]1CCCN([C@H](C(=O)O)c2ccc3ccccc3c2)C1 95627605 NYKMXWYQTZZMKF-OALUTQOASA-N 384.476 3.955 0 40 GHAB O=C(c1ccc2ccccc2n1)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238749 SLLIDMVOAAWSGH-QHCPKHFHSA-N 389.430 3.643 0 40 GHAB CN(C)c1ncc(-c2cc(C(=O)Nc3cccc(F)c3)n(CC3CC3)c2)cn1 96266413 RXYFFYUYVLYTOO-UHFFFAOYSA-N 379.439 3.813 0 40 GHAB CN1C[C@@H]2C[C@H]1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ccccc1O2 96111957 HXBZKYCZPSKZCT-RDJZCZTQSA-N 392.377 3.584 0 40 GHAB biogenic,in-vitro Cc1ncsc1C(=O)N1CCO[C@@H](c2cccc(Cc3ccccc3)n2)C1 257336803 YQCFXNNULSZAIN-LJQANCHMSA-N 379.485 3.651 0 40 GHAB CSCC[C@H](C(=O)Nc1nc2ccc(NC(C)=O)cc2s1)n1cccc1 604418524 JWWLNXMJZPHZEW-OAHLLOKOSA-N 388.518 3.989 0 40 GHAB O=C(c1ccc2nn[nH]c2c1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 600345774 ULIXZKRRNQINNW-UHFFFAOYSA-N 390.374 3.673 0 40 GHAB Cc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)c1c(C)noc1C 90593339 QLPBORCGMGNYBK-UHFFFAOYSA-N 397.909 3.855 0 40 GHAB COc1ccc2[nH]cc(C3CCN(C[C@H](O)COc4ccc(F)cc4)CC3)c2c1 58394092 UIGFVXHZNFQYFQ-SFHVURJKSA-N 398.478 3.935 0 40 GHAB CN1CCC[C]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12 1560411599 GUUMHKWKJDJJBV-UHFFFAOYSA-N 381.521 3.984 0 40 GHAB CC(=O)c1csc(NC(=O)CCn2c(-c3ccccn3)nc3ccccc32)n1 12147275 FJQDFVNOIDUYIH-UHFFFAOYSA-N 391.456 3.786 0 40 GHAB C[C@H](NC(=O)CCNC(=O)/C=C/c1ccccc1)C12CC3CC(CC(C3)C1)C2 12918794 PUXIWVOAIOWSDR-SOMYXZFVSA-N 380.532 3.927 0 40 GHAB O=C(Cc1cccs1)Nc1ccnn1Cc1ccc(Br)cc1 13021545 ZNBNHCSLKBWTJP-UHFFFAOYSA-N 376.279 3.937 0 40 GHAB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)Nc3ccccc3)cc21 13364825 SPOHYANZUCHADX-UHFFFAOYSA-N 379.464 3.511 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C(=O)NC(C)C 13679666 USEXVKMTQMBGCC-UHFFFAOYSA-N 396.896 3.596 0 40 GHAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2sccc2-c2ccccc2)c1 15633194 MYPQRDTUJMBLMW-UHFFFAOYSA-N 386.498 3.918 0 40 GHAB CCc1nn(CC(=O)Nc2ccccc2C(F)(F)F)c(=S)n1-n1cccc1 16777760 SNDXTVBZZBZEKD-UHFFFAOYSA-N 395.410 3.747 0 40 GHAB Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2cccc(Cn3cncn3)c2)C1 19237370 DUZJITUGJQYZIP-HXUWFJFHSA-N 390.487 3.566 0 40 GHAB C[C@H](Cn1cc(Cl)cn1)C(=O)N1CCC[C@H](COc2ccccc2F)C1 19457299 PQDAQLJBQZJWTC-CABCVRRESA-N 379.863 3.629 0 40 GHAB NC(=O)Cc1csc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)n1 14197124 DSWISRUPPXACSR-UHFFFAOYSA-N 377.878 3.805 0 40 GHAB O=C(c1ccccc1Cl)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037985573 OKWDFXJPTNKCFQ-JOCHJYFZSA-N 398.890 3.768 0 40 GHAB COc1ccc(CC(=O)N2CCN=C2SCc2ccccc2C)cc1OC 4120040 GATSSUKBCQVHRF-UHFFFAOYSA-N 384.501 3.686 0 40 GHAB CCc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)cc1 4329731 JXJBQJOLWGEKLN-UHFFFAOYSA-N 394.454 3.897 0 40 GHAB CCOC(=O)c1ccc(NC(=S)N2CCCN(Cc3ccccc3)CC2)cc1 4710563 YZLWVCPHNTVTKX-UHFFFAOYSA-N 397.544 3.768 0 40 GHAB Cc1c(NC(=O)C2(c3cccs3)CCCC2)c(=O)n(-c2ccccc2)n1C 12157816 UUTQABGIVCZAPZ-UHFFFAOYSA-N 381.501 3.996 0 40 GHAB Cc1cc(-c2nnc(NC(=O)CCCSc3ccc(Cl)cc3)o2)nn1C 12443104 GCXUELUKGGHADC-UHFFFAOYSA-N 391.884 3.943 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccc4ccccc4n3)n2)cc1 13796592 LJIREUDQGZTZDF-UHFFFAOYSA-N 398.466 3.587 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3cc(F)ccc3F)ccc21 35588101 JDMXITQCUDKJND-UHFFFAOYSA-N 394.487 3.648 0 40 GHAB O=C(NCCc1csc2nc(-c3cccs3)nn12)Nc1cccs1 38669884 MQPRRFDRJFCNJS-UHFFFAOYSA-N 375.504 3.945 0 40 GHAB COC[C@@H](C)Oc1ccc2nc(NC(=O)C(C)(C)Br)sc2c1 20133251 JTWRXQVWHDFYOH-SECBINFHSA-N 387.299 3.822 0 40 GHAB CCC(=O)N(c1nnc(S[C@@H](C)C(=O)c2ccc(OC)cc2)s1)C1CC1 7673021 KHMWEZBMWVFWRQ-NSHDSACASA-N 391.518 3.816 0 40 GHAB CC(C)n1nc(C(=O)OCc2cc(-c3ccccc3)no2)c2ccccc2c1=O 40024293 CUKROYIIAGLOGE-UHFFFAOYSA-N 389.411 3.989 0 40 GHAB CCOC(=O)N1CCC[C@@H](C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)C1 40060280 UYSDVIAEYXKAQI-QGZVFWFLSA-N 383.492 3.742 0 40 GHAB COc1cc(CC(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)cc(OC)c1OC 40142580 ZXGHNZGOTLLXPE-MRXNPFEDSA-N 387.476 3.986 0 40 GHAB CCc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3Cl)C(C)=O)C2=O)cc1 100746861 VNUQJFBJWIORLK-FQEVSTJZSA-N 398.890 3.626 0 40 GHAB COc1ccc(OCc2nnc3n2N=C(c2ccc(C)cc2)[C@H](C)S3)cc1 32682294 NDABHZNCEHYWJW-AWEZNQCLSA-N 380.473 3.921 0 40 GHAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)[C@H]1CC(=O)N(C2CCCC2)C1 21534068 LYUSAWSPAPISMN-AWEZNQCLSA-N 398.532 3.626 0 40 GHAB COCCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(F)cc1 21782947 UGEKVUDCOUHGCZ-OAQYLSRUSA-N 395.434 3.730 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)Nc3ccc4oc(C(C)C)nc4c3)cnc12 33217123 ODYFMSYOLXXYTG-UHFFFAOYSA-N 376.416 3.608 0 40 GHAB COc1cc([C@H]2CC(O)=Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccccc1 8995261 GKWGHFHNQWRBFD-MRXNPFEDSA-N 391.427 3.790 0 40 GHAB O=C(CNc1ccc(S(=O)(=O)C2CCCC2)cc1)Nc1cc(F)ccc1F 47273192 DFEDCHCYWAGQLY-UHFFFAOYSA-N 394.443 3.732 0 40 GHAB C[C@H](NC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 19310358 LGONGOBRFKXYTJ-BBRMVZONSA-N 393.505 3.596 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)cc1 888211 KCHCYJVIBLXNBZ-UHFFFAOYSA-N 382.489 3.535 0 40 GHAB CN(Cc1cccs1)C(=O)CCSCCC(=O)N(C)Cc1cccs1 78239656 WUSQRPBMSYMLBV-UHFFFAOYSA-N 396.603 3.940 0 40 GHAB CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nnc1C1CC1 1364685 ZXZMSVQEDGKLIL-UHFFFAOYSA-N 389.506 3.525 0 40 GHAB Cc1cccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c3nnnn3c12 1376734 LFEBFRGTKLBHBD-UHFFFAOYSA-N 375.432 3.764 0 40 GHAB COC(=O)c1[nH]/c(=N\C(=O)c2ccc3nc(C)sc3c2)sc1CC(C)C 79477306 OPGIAAQYLHGYSG-UHFFFAOYSA-N 389.502 3.721 0 40 GHAB COc1ccc(Cc2nnc(Nc3cccc(Cl)c3Cl)[nH]c2=O)cc1 2718702 BSTYBEHVBLVMRR-UHFFFAOYSA-N 377.231 3.815 0 40 GHAB CCOc1cccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)c1 6353822 GEJGBUDOJVIMBT-UHFFFAOYSA-N 383.473 3.784 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2)CC1 6931595 UNEUQZZLEFGHKJ-HNNXBMFYSA-N 376.859 3.904 0 40 GHAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C(C(=O)OC)=C(C)N2 6952868 PSLKDQXKAXQVNU-CYBMUJFWSA-N 391.880 3.540 0 40 GHAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCCCCC4)c(=O)c23)s1 7671911 BCOYAXMTYWRYHU-UHFFFAOYSA-N 387.530 3.898 0 40 GHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2ccnc2)cc1 12547852 DJIUODHUZQPYFO-FUHWJXTLSA-N 398.507 3.697 0 40 GHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccccc3C)cc21 8959513 VAYVJUBUTMKPEV-UHFFFAOYSA-N 382.460 3.784 0 40 GHAB Cc1nnc(COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)o1 25394112 RUOGMGGZAZTFKC-UHFFFAOYSA-N 378.310 3.892 0 40 GHAB Cc1ccsc1CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 25717984 MIUCPCHFSQJRHV-UHFFFAOYSA-N 375.453 3.686 0 40 GHAB O=C1COc2cc(NC(=O)NCCSCc3cccs3)c(Cl)cc2N1 44271814 YVMNFMLRNRMJET-UHFFFAOYSA-N 397.909 3.787 0 40 GHAB CSc1nc2ccc(NC(=O)CN3C(=O)[C@H](C)Oc4ccccc43)cc2s1 26752980 VXYSAEUNDXAGAE-NSHDSACASA-N 399.497 3.771 0 40 GHAB COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)c1C 58055393 OTPUDZMHRNRCND-GOSISDBHSA-N 398.503 3.977 0 40 GHAB O=C(NCCC(=O)OCc1cccc(F)c1F)NC12CC3CC(CC(C3)C1)C2 27426789 JWZHQLWBPMFYLM-UHFFFAOYSA-N 392.446 3.666 0 40 GHAB CCOC(=O)N1CCN(C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 44774487 HJVHZVJXARKWBY-HOTGVXAUSA-N 399.516 3.647 0 40 GHAB Cc1ccccc1N(CCCC(=O)NCc1ccccc1Cl)S(C)(=O)=O 113968134 XXEJWMYYADFLQS-UHFFFAOYSA-N 394.924 3.511 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)CC1=O 12778582 GJPLVWMIWNAMQG-HNNXBMFYSA-N 393.468 3.810 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 28206536 HLURKLCDZKGVIN-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1C 102593098 LLLMEOKZBBYXLI-LRGYGIHKSA-N 386.451 3.867 0 40 GHAB O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)nc2Cl)ccc1Cl 58391315 YZHTWKRDKPQZQP-UHFFFAOYSA-N 381.624 3.541 0 40 GHAB CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(C)cc1)CC2 58421640 VHDRLPXGFHZDJP-LGMDPLHJSA-N 386.451 3.933 0 40 GHAB Fc1ccc(Br)cc1-c1nn2c(-c3cccnc3)nnc2s1 36360292 FCAALWMBUKJMKX-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB CCn1nc(NC(=O)c2ccc(OC)c(OC)c2)c2cc3ccccc3nc21 2359460 PTCRAHJHBNZODS-UHFFFAOYSA-N 376.416 3.874 0 40 GHAB O=C(CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1Cl 48363225 IILAAXRZZTYOEZ-GJZGRUSLSA-N 387.307 3.592 0 40 GHAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1F 2410960 XBYOIRZIGINLFX-HXUWFJFHSA-N 394.446 3.819 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)N2C(=O)[C@@H](C)SC2=N1 2487097 LQHPFIIMFCVVHH-ABAIWWIYSA-N 378.881 3.940 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 28993638 ASFINWBFEWFMOV-SFHVURJKSA-N 390.439 3.846 0 40 GHAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NCCc1cccc2cccnc12 12894492 FBELLPZZOFQDBY-FQEVSTJZSA-N 381.520 3.615 0 40 GHAB Cc1cccc(OCCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c1 3452021 IVAIUTREMIUVQE-UHFFFAOYSA-N 394.393 3.880 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3C)n2C)c(OC)c1 3534088 LULSXAXJQWFUBZ-UHFFFAOYSA-N 383.473 3.783 0 40 GHAB O=C(NC1CC1)c1ccc(NC(=O)c2ccc(F)cc2Br)cc1 12911709 BHKIQCAMUACTAX-UHFFFAOYSA-N 377.213 3.733 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Br)s1 12989846 FJPLAWWGFYGYGO-LLVKDONJSA-N 391.294 3.925 0 40 GHAB CCCOc1ccc(N2C[C@@H](C(=O)NC[C@H](C)c3ccccc3)CC2=O)cc1 408706580 BWZWOFFJGQTSSQ-HKUYNNGSSA-N 380.488 3.748 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 28606917 GAMJZCMKQHYCIW-UHFFFAOYSA-N 394.283 3.971 0 40 GHAB C[C@H](C(=O)Nc1ccccc1Cl)n1nnc2sc3c(c2c1=O)CCCC3 5183373 IFKTZYHTNKJSHW-SNVBAGLBSA-N 388.880 3.585 0 40 GHAB Cc1ccc(CN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c(C)c1 5255297 FIQMRDWWWGQXDU-UHFFFAOYSA-N 398.514 3.755 0 40 GHAB COc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1-c1ccc(CO)o1 20151513 GDOCUEYDWNLEPY-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 9387806 KUXZKLGPGDEWHL-HXUWFJFHSA-N 378.428 3.766 0 40 GHAB CCc1ccc(C(=O)COC(=O)[C@H](NC(=O)c2ccc(CC)cc2)C(C)C)cc1 4603780 HFGCWQHHJGPAGY-JOCHJYFZSA-N 395.499 3.992 0 40 GHAB O=C(CCN1C(=O)COc2ccccc21)OCc1csc(-c2ccccc2)n1 5565553 JJIVXEZBPGCICI-UHFFFAOYSA-N 394.452 3.669 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(OC(=O)COc2ccccc2)cc1 14630768 DUDFSGQEVRYUFX-UHFFFAOYSA-N 377.396 3.932 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 4825978 ZINCHWNWRGWZBK-UHFFFAOYSA-N 386.407 3.813 0 40 GHAB COc1ccc(CCNc2nccn(-c3ccc(C)c(C)c3)c2=O)cc1OC 6914928 NNQNWNUCYBSPQT-UHFFFAOYSA-N 379.460 3.521 0 40 GHAB CCCCn1c(SCC(=O)NCc2ccc(C)cc2)nc2cc(C)[nH]c2c1=O 67238366 CHDPFBKZYPIHLO-UHFFFAOYSA-N 398.532 3.550 0 40 GHAB Cn1cc(-c2ccc(Cl)cc2)c2ncn(CC(=O)NC3CCCCC3)c(=O)c21 67235674 MBXFZMVIQRMEHW-UHFFFAOYSA-N 398.894 3.504 0 40 GHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(C2CC2)n1C 7087256 MVCPECLYLVRKOT-NSHDSACASA-N 387.534 3.614 0 40 GHAB Cn1c(SCc2cc(Cl)c3c(c2)OCCCO3)nnc1-c1ccncc1 7112948 APTVNSWHPXXLRM-UHFFFAOYSA-N 388.880 3.984 0 40 GHAB O=c1cc(CSc2nnc(-c3ccco3)o2)nc2sc3c(n12)CCCC3 7136196 YTKXYALGJVOQSL-UHFFFAOYSA-N 386.458 3.570 0 40 GHAB Cc1noc(C)c1CCC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 7476169 TWZICWAROIRUHB-UHFFFAOYSA-N 379.464 3.848 0 40 GHAB CC[C@H](C(=O)NCc1cccc(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 113949802 LLXUMVHIWMRJCK-GOSISDBHSA-N 394.924 3.509 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 71886851 QRKHNLJMYPPFTP-BPLDGKMQSA-N 377.362 3.765 0 40 GHAB O=C(NCc1cccc(CN2CCOCC2)c1)N[C@H]1CCSc2ccccc21 69927715 ZJKRSCJNYXCGDN-FQEVSTJZSA-N 397.544 3.555 0 40 GHAB Cc1ccc(-c2nc(CN(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)cs2)o1 96765399 ZAZHOXRRYUPDJV-CYBMUJFWSA-N 391.518 3.552 0 40 GHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113970835 LNGHSMZYXBWAJW-QFIPXVFZSA-N 381.520 3.851 0 40 GHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1C 31710958 OENGSHLRWYARHI-QZTJIDSGSA-N 396.487 3.618 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)c2ccccc2S(=O)(=O)CC)c1 25916939 HXHCODHFVRVIMM-UHFFFAOYSA-N 377.462 3.530 0 40 GHAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1 32115340 CIPUFHHSUZQCJC-UHFFFAOYSA-N 383.517 3.773 0 40 GHAB Cc1ccc(OCC(=O)N2N=C(C3CCCCC3)C[C@@]2(O)C(F)(F)F)cc1 409362351 UZJQOQVEGFAPFR-GOSISDBHSA-N 384.398 3.793 0 40 GHAB COc1ccccc1[C@H](c1c[nH]c2ccccc12)C1C(=O)OC(C)(C)OC1=O 409121958 WEFBDSCNBXNDAL-GOSISDBHSA-N 379.412 3.761 0 40 GHAB CN1CCCC[C@H](C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)C1=O 72372035 GBWSQLICTWILJL-HXUWFJFHSA-N 381.520 3.598 0 40 GHAB COC(=O)c1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 218833153 IVOUGSIKOVEHSX-UHFFFAOYSA-N 392.249 3.870 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3ccccc3n3c(C)nnc23)cc1F 64949016 XOUGXLADFCTCLE-UHFFFAOYSA-N 381.436 3.764 0 40 GHAB Cc1nc2c(c(Nc3ncc(C)s3)n1)CN(C(=O)CCc1ccccc1)CC2 72380766 HYEAEDPBLMTJTF-UHFFFAOYSA-N 393.516 3.811 0 40 GHAB O=C1N=C(O)/C(=C\c2ccccc2Br)C(=O)N1Cc1ccco1 33509576 REWFAXFPNYJOOQ-XYOKQWHBSA-N 375.178 3.544 0 40 GHAB COc1cc(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c2ncccc2c1 38679395 BQWCOLYLTAIUPH-UHFFFAOYSA-N 398.484 3.607 0 40 GHAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)n1 72382955 PVQROKMGTDWMNL-SFHVURJKSA-N 388.475 3.647 0 40 GHAB Cc1cc(C)c(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c(C)c1 220451356 GCIUJOANSWJIIK-CQSZACIVSA-N 396.459 3.683 0 40 GHAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1cccc(CN2CCOCC2)c1 224738570 KEGMNUAICBEMRY-IBGZPJMESA-N 396.531 3.726 0 40 GHAB Cc1ccccc1CS(=O)(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 223639699 PATISSCNTFXNJN-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB COc1ccc(CN(C(C)=O)[C@H](C(=O)NCCC(C)C)c2ccccc2)cc1 223543883 HIMMLXIFNHKAOB-QFIPXVFZSA-N 382.504 3.947 0 40 GHAB C[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C(C)(C)C)cc1 222417427 APDZQTOCJHEJPI-HNNXBMFYSA-N 388.533 3.871 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 225014565 DNSUPGMXONJXDU-LJQANCHMSA-N 397.494 3.513 0 40 GHAB O=C(Nc1cc(F)ccc1F)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 90610275 HSQCIQUFGZPDLE-UHFFFAOYSA-N 398.413 3.866 0 40 GHAB Cc1occc1C(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CC1)c1ccccc12 96242289 UQGBGFQEKKRUBO-KRWDZBQOSA-N 392.499 3.918 0 40 GHAB O=C(Oc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1cccs1 247440987 XHGZYNLGRJNQFF-GCQCLRAASA-N 391.448 3.525 0 40 GHAB CCN(C(=O)CN(CC)[C@@H]1CCOC(C)(C)C1)c1nc2ccccc2s1 585084869 KPFRSGQXXZGHOA-OAHLLOKOSA-N 375.538 3.929 0 40 GHAB CN1CCCCC[C@@H]2N(C(=O)c3nccn3C)[C@H](Cc3ccccc3)C[C@@]21C 257263030 LOBWBWNFDKSKHG-QTEQDKRBSA-N 380.536 3.510 0 40 GHAB CC(C)Cc1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@H]32)[nH]n1 257199191 WDALTMWEEOLIFO-KKXYHZGYSA-N 382.552 3.643 0 40 GHAB Fc1ccc(CN2CCO[C@@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)cc1 257257533 KQAXGXQIWGSNRH-JOCHJYFZSA-N 399.441 3.883 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)c1cccn1C)CC2 26475000 ICSSPKWSQCZNMY-QFIPXVFZSA-N 396.512 3.934 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257329249 XJBXMVVYKZCECZ-FBMFTZIJSA-N 381.520 3.669 0 40 GHAB Cc1ccc(NC(=O)CN2CCN(c3nc4ccccc4s3)CC2)cc1C 1168340330 TVTPIFYLJMXOSE-UHFFFAOYSA-N 380.517 3.674 0 40 GHAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCO[C@H]2CCCC[C@@H]21 46491064 RGGCYJCWPLZXTJ-IRXDYDNUSA-N 389.883 3.883 0 40 GHAB CC1(C)C[C@@H]2CN(C(=O)c3ccnn3C(F)F)CC[C@@H]2N1c1ccc(F)cc1 1615159194 ORPZXWGVVWCGHM-CJNGLKHVSA-N 392.425 3.937 0 40 GHAB Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 1193231 FFAONVWNCQONAF-LDADJPATSA-N 389.367 3.625 0 40 GHAB O=C(NCCc1ccc(F)cc1)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772595774 LYPUMQWQXORCIG-GIWBLDEGSA-N 394.490 3.576 0 40 GHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)cc1 12188052 CDDRKVARMNPTAN-GOSISDBHSA-N 382.485 3.812 0 40 GHAB CNc1ncc(CN2[C@H](COc3cccc(C(F)(F)F)c3)[C@H]3CC[C@@H]2C3)cn1 12326655 RQTPMSGKPLVQOH-YXJHDRRASA-N 392.425 3.969 0 40 GHAB CCOc1ccc(NC(=O)C[C@H]2SC(Nc3ccc(OC)cc3)=NC2=O)cc1 12786554 WMZIMONWLCCYSI-QGZVFWFLSA-N 399.472 3.533 0 40 GHAB Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)c2cc(C(C)C)no2)on1 19121382 JHOFGMABBQGOTR-INIZCTEOSA-N 383.452 3.862 0 40 GHAB COc1ccc(C[C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccnc(C)n2)cc1 19287534 RCPXHLIOHZPTAJ-DNVJHFABSA-N 381.520 3.532 0 40 GHAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc2c(c1)OCCO2 19372892 NARIRFRGEMODOO-IBGZPJMESA-N 389.455 3.510 0 40 GHAB Cc1ccc([C@]2(O)CCN(C(=O)c3cc(C(C)C)nc4onc(C)c34)C2)cc1 19714737 ADTZKPFYTOTMCN-QFIPXVFZSA-N 379.460 3.697 0 40 GHAB COc1ccc(CCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1OC 1450754 VIEAWYNYPSGKPA-WJDWOHSUSA-N 375.471 3.741 0 40 GHAB C[C@H](C(=O)Nc1ccc(CCC2CCN(C)CC2)cc1)n1nnc2ccccc21 19080535 JGAAHNSWKGELMF-QGZVFWFLSA-N 391.519 3.905 0 40 GHAB COc1cc(CC(=O)N[C@H]2CCSc3ccc(F)cc32)cc(OC)c1OC 10964553 CZVIOSKSMKYCDT-HNNXBMFYSA-N 391.464 3.747 0 40 GHAB CN(CC1CCN(c2ncnc3c2CCC3)CC1)c1cc(C(F)(F)F)ccn1 1888873076 ILRPATMNKJYEQO-UHFFFAOYSA-N 391.441 3.732 0 40 GHAB O=C(CCc1ccccc1)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889166640 SXEKVQLAVCFRMB-AEFFLSMTSA-N 389.421 3.770 0 40 GHAB Cc1ccc(NC(=O)CCc2ccsc2)cc1S(=O)(=O)N1CCCCC1 21901222 ZTTWXPZUFXJVEP-UHFFFAOYSA-N 392.546 3.802 0 40 GHAB CC[C@@H](C(=O)N1CCC(COc2ccccc2)(CC(N)=O)CC1)c1ccccc1 2037905302 AQBRLPIORAZTGS-OAQYLSRUSA-N 394.515 3.743 0 40 GHAB CC(C)Oc1ccccc1CN1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037983916 KWPGOEWFIQTHEK-XMMPIXPASA-N 394.515 3.729 0 40 GHAB O=C1OCC2=C1[C@H](c1c(F)cccc1Cl)CC(=O)N2c1cccc(F)c1 1429769 WWUPAJFIHDAEHY-LBPRGKRZSA-N 375.758 3.950 0 40 GHAB COc1ccc(OC)c(N2C[C@](O)(c3ccc(C)cc3)[N+]3=C2CCCCC3)c1 2974527 GBEAGRRMEUGYOI-QHCPKHFHSA-N 381.496 3.663 0 40 GHAB CCc1nnc(NC(=O)CSc2ccc(-c3ccc(Cl)cc3)nn2)s1 4355605 UKZUEHKOBJMXFW-UHFFFAOYSA-N 391.909 3.942 0 40 GHAB CCc1ccc(S(=O)(=O)NCc2csc(-c3ccc(OC)cc3)n2)s1 6808806 GKWTXDPRIHPJBJ-UHFFFAOYSA-N 394.543 3.921 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1ccc(C(F)(F)F)cc1 8843517 VFGPXTIWECARAY-CYBMUJFWSA-N 398.410 3.871 0 40 GHAB CC(=O)Nc1nonc1-c1nnc(SCc2ccccc2)n1-c1ccccc1 9878284 VAUAAANCIOTHEI-UHFFFAOYSA-N 392.444 3.568 0 40 GHAB Cc1csc(C(=O)N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1 2055773082 TZRNTXAEBLUPLM-UHFFFAOYSA-N 381.501 3.875 0 40 GHAB COc1cccc(NC2(C(=O)N(C)C)CCN(Cc3sccc3C)CC2)c1 2055747482 BKCHHNGFSVQPSK-UHFFFAOYSA-N 387.549 3.600 0 40 GHAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2cccc(C(F)(F)F)c2)c1 40096055 ZPFWNKREUAIVCW-OAHLLOKOSA-N 384.354 3.578 0 40 GHAB CCOC(=O)/C(=C/Nc1ccc(F)c(F)c1)S(=O)(=O)c1cc(C)cc(C)c1 100025885 NBPWGBYNGFNBHO-WQRHYEAKSA-N 395.427 3.872 0 40 GHAB CCC(=O)N1CCc2cc(C(=O)N(C)Cc3nc4ccccc4s3)ccc21 40144264 LJVOXPJWDISHNQ-UHFFFAOYSA-N 379.485 3.868 0 40 GHAB Cc1ccc2ncn(Cc3nnc(-c4c(-c5ccccc5)noc4C)o3)c(=O)c2c1 40117002 DBDLXKDLLWKSIC-UHFFFAOYSA-N 399.410 3.767 0 40 GHAB O=C(CCCc1ccc(Cl)cc1)NCC(=O)Nc1ccc(F)c(F)c1F 40140912 RDERJIJZTFKMNS-UHFFFAOYSA-N 384.785 3.835 0 40 GHAB Cc1c(NC(=O)c2[nH]c3ccccc3c2Cl)c(=O)n(-c2ccccc2)n1C 40142788 BZFIDDNPNKUIDO-UHFFFAOYSA-N 380.835 3.871 0 40 GHAB CCc1ccc(CN(C)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 40103694 NYPZCSQETLUBGL-UHFFFAOYSA-N 382.432 3.909 0 40 GHAB c1coc([C@H]2N=C3NCN(C4CCCCC4)CN3c3nc4ccccc4n32)c1 20101815 WVSMWZYYFASERA-IBGZPJMESA-N 376.464 3.505 0 40 GHAB CC(C)n1ccc2c(NC(=O)C[C@H]3NC(=O)c4ccccc4N=C3O)cccc21 101414303 NHKHSMLLBQQZHX-GOSISDBHSA-N 390.443 3.951 0 40 GHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1cccc(CN(C)C)c1 32752982 MMSGYWRTWNXZFO-CQSZACIVSA-N 391.309 3.594 0 40 GHAB COCCn1c(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)nc(C)c1C 32894052 UTVVABNOHUKFNA-AWEZNQCLSA-N 387.505 3.862 0 40 GHAB Cc1cccc(NC(=O)[C@@H](C)n2ncc(-c3ccc(Cl)cc3)nc2=O)c1C 33324669 BJUHTFIICQWXQJ-CQSZACIVSA-N 382.851 3.775 0 40 GHAB Cc1nn(C)c(Cl)c1C(=O)N1CCN(Cc2csc3ccccc23)CC1 22426708 CFFLOQODOQNRAK-UHFFFAOYSA-N 388.924 3.555 0 40 GHAB CCOc1ccc(-c2csc3ncn(CC(=O)O[C@@H](C)CC)c(=O)c23)cc1 790724 IHTWRJUTCDYXLA-ZDUSSCGKSA-N 386.473 3.865 0 40 GHAB O=C(COC(=O)c1ccc(Br)o1)c1ccc(Br)cc1 825466 RPDQTFAUMIZOKQ-UHFFFAOYSA-N 388.011 3.844 0 40 GHAB COc1ccc(OCc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 1103858 SDJHPYHHSDUPPA-UHFFFAOYSA-N 386.864 3.877 0 40 GHAB COc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1OC 1511149 JBQXKNNXLIDAIJ-ZSOIEALJSA-N 388.217 3.811 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CCOC)cc1 2128433 IGDPPBNEKVJECU-UHFFFAOYSA-N 396.516 3.885 0 40 GHAB COCCCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3 2221364 GIWLYWUOJAZJQF-UHFFFAOYSA-N 387.505 3.817 0 40 GHAB CCOC(=O)[C@@H](NC(=O)Nc1ccc(Cl)cc1)P(=O)(OCC)OCC 2295024 UUABFVICPIZSHM-ZDUSSCGKSA-N 392.776 3.617 0 40 GHAB COCCOC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 2325322 TUZZSHVMUNBWKH-AWEZNQCLSA-N 390.443 3.579 0 40 GHAB CCOc1ccc([C@]2(O)[C@H](C)[N+]3=C(CCCC3)N2c2ccc(OC)cc2)cc1 3172623 NLDGUOOVOCFLIA-GAJHUEQPSA-N 381.496 3.743 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 3235118 LECUZVAFTJVUPX-GOSISDBHSA-N 389.451 3.903 0 40 GHAB CCc1ccc(C(=O)[C@H](C)OC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1 3367255 AFNJVWUJFJKDLI-RCDICMHDSA-N 395.480 3.992 0 40 GHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc(Cl)cc1 3504780 MEEOJBCXYLZGBV-INIZCTEOSA-N 375.833 3.569 0 40 GHAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)N[C@H](C)CCc1ccccc1 4406077 YYVGRQBJNVNNTB-SJORKVTESA-N 394.544 3.882 0 40 GHAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 4513751 XIWOTOTXNBOVLE-GOSISDBHSA-N 393.226 3.689 0 40 GHAB Cc1ccc(-c2nc(CCNS(=O)(=O)c3ccc(F)cc3)cs2)cc1 4570696 LLLYZXQTKNNNLF-UHFFFAOYSA-N 376.478 3.779 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C[n+]1cccc(C(N)=O)c1 4671328 AREVPJAUQFATLC-NQSCKRDGSA-O 395.523 3.739 0 40 GHAB CCC(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2C)cc1 4740023 JAQHAOIZXTWDTA-UHFFFAOYSA-N 398.463 3.945 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nncn2-c2ccccc2F)cc1 4890400 MTPXPFJOOJFCNM-CYBMUJFWSA-N 384.436 3.728 0 40 GHAB Cc1nc2ccc(NS(=O)(=O)c3cc(C(=O)O)cc(C)c3C)cc2s1 5135023 KYFDRVJSGQDXDW-UHFFFAOYSA-N 376.459 3.721 0 40 GHAB O=C1CCc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc3c2N1CC3 5153548 SYOIRKUSILKIKI-UHFFFAOYSA-N 397.283 3.630 0 40 GHAB COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 5205475 DQJIUDGZACDDNU-IBGZPJMESA-N 382.460 3.996 0 40 GHAB CC(C)(C)N(Cc1ccccc1)C(=O)Cn1cnc2ccc(Cl)cc2c1=O 5253604 NQMXUIKOEUTKKI-UHFFFAOYSA-N 383.879 3.877 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)/C=C1\NCCc2cc3c(cc21)OCCCO3 5429255 AIMSVLKZNLMXNF-PDGQHHTCSA-N 384.863 3.935 0 40 GHAB CC(C)CN1C(=O)S/C(=C\c2ccc(I)o2)C1=O 5461532 HNCQAMLPIHZXQV-UITAMQMPSA-N 377.203 3.577 0 40 GHAB CCOC(=O)N1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 5796382 FPKOZEPDJLAIFU-UHFFFAOYSA-N 384.501 3.893 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1 6453121 CMJPDCOLTCJVPN-UHFFFAOYSA-N 382.199 3.819 0 40 GHAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 7214317 XRHLZDYBRSFWFD-GOSISDBHSA-N 395.484 3.883 0 40 GHAB Cc1cc(C)c(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1 7872060 HEKQOUZGUUQAOJ-HNNXBMFYSA-N 378.469 3.544 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 7881453 UBXOXBPWKWSHSS-MRXNPFEDSA-N 385.847 3.736 0 40 GHAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(I)cc1 9061950 ZYQXEFLSSLWPPG-UHFFFAOYSA-N 393.290 3.635 0 40 GHAB CSc1nnc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)s1 9145742 UKKYFWCEZSAIRN-UHFFFAOYSA-N 399.910 3.694 0 40 GHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(c1)OC1(CCCC1)O2 9446137 GFRIKFNCAFIPSD-UHFFFAOYSA-N 391.427 3.536 0 40 GHAB CCn1c(=O)c2cc(Br)ccc2n(Cc2cccc(Cl)c2)c1=O 9935439 JAXZMIKPQXUKSS-UHFFFAOYSA-N 393.668 3.647 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccccc1Cn1cccn1 10234789 JAXWQEQOBYWFFN-UHFFFAOYSA-N 384.483 3.955 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCc3cccc(C)c32)cc1 10971382 ASLPGLPRSKBANU-UHFFFAOYSA-N 386.517 3.619 0 40 GHAB NC(=O)Nc1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 10986383 AMJSIORGOSXPGV-UHFFFAOYSA-N 381.461 3.639 0 40 GHAB Cc1cc(-c2nnc(NC(=O)c3cccc(Oc4ccccc4)c3)o2)nn1C 11693823 KVRFNYBXLKBTIV-UHFFFAOYSA-N 375.388 3.823 0 40 GHAB COc1ccc(C(C)(C)C)cc1CN1CCc2nc3ccsc3c(=O)n2CC1 12219946 FGGQOHINZYIPOM-UHFFFAOYSA-N 397.544 3.822 0 40 GHAB CCOC(=O)c1c(NC(=O)CSc2nc(C)c(C)[nH]2)sc2c1CCCC2 12413872 LQMCBZKGZNDBAZ-UHFFFAOYSA-N 393.534 3.874 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc1 12552346 HUSPDJSEEGSWMZ-LBPRGKRZSA-N 378.350 3.766 0 40 GHAB O=C(NCc1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1 12803207 OTNDHCGCTIUMDO-UHFFFAOYSA-N 394.338 3.538 0 40 GHAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCC1 12906433 FZQONKNQSNOEEC-UHFFFAOYSA-N 391.533 4.000 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(CN2CCOCC2)cc1 12922327 WALWQPFEEJOQNI-UHFFFAOYSA-N 391.515 3.639 0 40 GHAB C[C@H]1Cc2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)ccc2N1S(C)(=O)=O 12995550 MMHUZOJXQDSZHA-QWHCGFSZSA-N 392.908 3.542 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)C2)ccc1C 13675227 YBTWLTCXJVYJNA-HNNXBMFYSA-N 386.517 3.976 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C(=O)NC(C)C 13681847 YZJKLIZJOAIXEU-UHFFFAOYSA-N 398.484 3.787 0 40 GHAB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 14091720 GEZJCFNJMQDCLW-UHFFFAOYSA-N 396.516 3.937 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)NCCSc2ccc(Cl)cc2)c1C 15028568 HJPZQBFYXJPLHV-UHFFFAOYSA-N 380.897 3.984 0 40 GHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc3oc(C)nc3c2)CC1=O 15578716 DKWIUAYDNAOENH-CQSZACIVSA-N 379.416 3.527 0 40 GHAB CCCCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 16699714 YYAGZCGOXXCPFK-UYRXBGFRSA-N 380.469 3.644 0 40 GHAB C[C@@H](NC(=O)CSc1nnc(NC2CC2)s1)c1ccc2c(c1)CCCC2 17153353 MAVRTHHQPPMQOK-GFCCVEGCSA-N 388.562 3.961 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 17305838 LIBIUPMIAJOPEO-GOSISDBHSA-N 377.492 3.824 0 40 GHAB O=C(C1CCC1)N1CCC(c2[nH]c3nccnc3c2CN2CCCCCC2)CC1 19404247 FQPRXHWZVDEHRL-UHFFFAOYSA-N 395.551 3.840 0 40 GHAB CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2Cc1cn(C)nc1C 19712936 LEUTVWVZFPHYHX-SMIHKQSGSA-N 394.563 3.705 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)c3nncn3n2)cc1 19714602 FWKHIBZAFBNSEO-IBGZPJMESA-N 379.464 3.624 0 40 GHAB O=C(Nc1ccc([C@H](O)CN2CCCCC2)cc1)c1cn2cc(Cl)ccc2n1 19716737 KDELAMYNYQCEQB-LJQANCHMSA-N 398.894 3.759 0 40 GHAB CCOc1cc(F)ccc1NC(=O)CC1CCN(c2nc(C)cc(C)n2)CC1 19748566 ZANNPCFCDMOQNW-UHFFFAOYSA-N 386.471 3.876 0 40 GHAB CCC(C)(C)[C@H]1CCc2sc3ncnc(NCCN4CCOCC4)c3c2C1 20149839 WSLZUAAUDKFHBW-HNNXBMFYSA-N 388.581 3.977 0 40 GHAB CCOc1ccccc1CNC(=O)c1ccc(I)cc1 20460338 GAVSCJYIMBZEEN-UHFFFAOYSA-N 381.213 3.620 0 40 GHAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 20488923 RWIFGALUXRMZEM-MDWZMJQESA-N 393.468 3.843 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 21651551 XTSWCIBKFQAATK-UHFFFAOYSA-N 393.317 3.994 0 40 GHAB Cc1nn(CN2CCN(Cc3ccc(C(C)C)cc3)CC2)c(=O)c2ccccc12 22935040 IRKJVBXPVIVDLW-UHFFFAOYSA-N 390.531 3.604 0 40 GHAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1cccc2ccccc12 24690879 BFLPBRLCTKLKTF-CQSZACIVSA-N 383.473 3.712 0 40 GHAB O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 25707606 MXVWMEOTVAQVBM-INIZCTEOSA-N 394.349 3.955 0 40 GHAB CN(CCCNC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1)c1ccccc1 27227427 LNMXBBFNVXQMCS-UHFFFAOYSA-N 398.507 3.951 0 40 GHAB COc1cc(C)c(CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1OC 27545921 RXFWFADDDCLVQH-UHFFFAOYSA-N 384.524 3.556 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1C(=O)O 28248358 IIJDMOHCLREYCY-UHFFFAOYSA-N 382.850 3.757 0 40 GHAB Cc1c([C@H](C)NS(=O)(=O)/C=C/c2ccccc2)cnn1-c1ccc(F)cc1 32808811 RHCLNIUDEVYVMF-LHNRBYRGSA-N 385.464 3.971 0 40 GHAB COc1ccccc1/C=C/C=C(/C#N)C(=O)NCCc1ccc(OC)c(OC)c1 33409765 WOTNKFMEYJHFOC-CZXXGDPKSA-N 392.455 3.534 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)NC(SCCC(=O)O)=N1 33695922 GHYFQAMZAFXXIF-LJQANCHMSA-N 395.484 3.808 0 40 GHAB O=C([C@H](c1ccccc1)n1cccc1)N1CCN(C/C=C/c2ccccc2)CC1 34192171 JHKVSAYYUNSFEW-LUFJGRFYSA-N 385.511 3.935 0 40 GHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-n2ccnc2)nc1 40071259 JQQQEGZEYAYWKQ-UHFFFAOYSA-N 390.274 3.916 0 40 GHAB O=C(CCc1ccsc1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 40121995 FCKPOUGDKHAEAZ-UHFFFAOYSA-N 396.434 3.684 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(F)c(F)c2)cs1 40128501 CVFLPEYWKWYPNY-UHFFFAOYSA-N 377.372 3.756 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2cnn(C)c2)C(C)C)c(Br)c1 40157045 VMMPYDQOKAAMIP-AWEZNQCLSA-N 394.313 3.696 0 40 GHAB COc1ccc2[nH]/c(=N\C(=O)CCn3cc(C(C)=O)c4ccccc43)sc2c1 40267395 SDXSKEMKXAJFCN-UHFFFAOYSA-N 393.468 3.913 0 40 GHAB Cc1ccc(S(=O)(=O)C2(C(=O)NCc3cccc(Cl)c3)CCC2)cc1 48310135 YSEDEONLAPPGDL-UHFFFAOYSA-N 377.893 3.661 0 40 GHAB CC(C)(C)OC(=O)N1CCC(CN2CCO[C@@H](c3ccc(F)cc3)C2)CC1 58161277 IGEQMOYOYDUGLA-LJQANCHMSA-N 378.488 3.846 0 40 GHAB CCN1C[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)CC1=O 58735867 GWHVIVNKEVOVIO-CYBMUJFWSA-N 388.851 3.948 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCCN(c2nccs2)CC1 60099610 HCISDOBRMCFMSV-AWEZNQCLSA-N 378.929 3.644 0 40 GHAB Cn1c2c(sc1=O)[C@H](c1ccc3c(c1)OCO3)CC(=O)N2c1ccc(F)cc1 66089781 XFVGESSCLRWJJA-AWEZNQCLSA-N 398.415 3.515 0 40 GHAB CC1(C)C[C@@H](NC(=O)CCn2ccc3ccc(Br)cc32)CCO1 70666426 WCZWNCNOQGHZTP-HNNXBMFYSA-N 379.298 3.868 0 40 GHAB biogenic O=C(Nc1cc(-c2ccncc2)n[nH]1)c1ccc(Cn2cc(Cl)cn2)cc1 72255864 WSCGUVOAIROZAY-UHFFFAOYSA-N 378.823 3.622 0 40 GHAB CCCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1cccc2nccnc12 72314699 OHMCVTZWWAKSPJ-GOSISDBHSA-N 388.427 3.836 0 40 GHAB CC(=O)Nc1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 72322085 KXHMQJNZBBVWRM-NRFANRHFSA-N 394.450 3.748 0 40 GHAB biogenic,in-vitro COc1ccc(CN2CCC[C@@H]([C@H](NC(C)=O)c3nccs3)C2)c(C)c1C 72337759 WSDOETBFBXMGLM-QUCCMNQESA-N 387.549 3.858 0 40 GHAB C[C@@H]1C[C@H]1C(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(N)=O)CC1 72345082 MPDPUJKPAJEHHT-CRAIPNDOSA-N 382.529 3.708 0 40 GHAB Cc1n[nH]c(C)c1CCC(=O)NCC1CCC([C@@H](c2ccccn2)N(C)C)CC1 72391152 PTQXODXMZMPCMH-XWEVFREBSA-N 397.567 3.580 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)N[C@@H]1CCCC[C@@H]1C(F)(F)F 84504845 ZDTQFYDTMJXLGQ-DLBZAZTESA-N 380.414 3.852 0 40 GHAB CN(C)[C@@H](CNc1ccc(C(=O)N2CCc3ccccc32)cn1)c1ccco1 95958748 WTNQIVQYKHPPFY-IBGZPJMESA-N 376.460 3.592 0 40 GHAB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)Nc2cccc(C(C)C)c2)C1 95999230 JEVWSNKZWJETER-INIZCTEOSA-N 399.495 3.530 0 40 GHAB O=S(=O)(c1cccs1)N1CCC2(CC1)CCn1c(-c3ccccc3)cnc12 96145068 PVGYJVNSHCCAJP-UHFFFAOYSA-N 399.541 3.738 0 40 GHAB CC(C)n1cnc2c(NCC3CC3)nc(C3CCN(C(=O)N(C)C)CC3)cc21 96267157 NMFADAOGKXGHPQ-UHFFFAOYSA-N 384.528 3.695 0 40 GHAB Cn1c(=O)c(C(=O)C[C@H](Nc2cccnc2)c2ccco2)c(O)c2ccccc21 100362512 QCYKLLADCZBTMM-INIZCTEOSA-N 389.411 3.658 0 40 GHAB COc1ccccc1[C@H]1C=C(c2ccc(Br)cc2)Nc2nnnn21 100822992 ZULBKVNJYARJBR-OAHLLOKOSA-N 384.237 3.500 0 40 GHAB Cc1cc(OCC(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)ccc1Cl 103086219 GYOXBQBCIJQOTO-VFNWGFHPSA-N 393.911 3.998 0 40 GHAB COc1ccccc1N1C(=O)C[C@H](Nc2ccc(OC(F)F)c(Cl)c2)C1=O 103247551 ATODFNITIUKRBR-LBPRGKRZSA-N 396.777 3.694 0 40 GHAB Cc1cccc(-n2ccnc2S(=O)(=O)Cc2cc(-c3ccccc3)on2)c1 103621009 KZVYKHHXISBQHK-UHFFFAOYSA-N 379.441 3.810 0 40 GHAB C[C@H](OC[C@@H]1CCCCO1)C(=O)O[C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C 106923365 OBBOEUCFYIHYEC-OWSLCNJRSA-N 399.528 3.682 0 40 GHAB CCc1nnc(SCC(=O)Nc2ccc(Br)c(C)c2)n1CC 216102327 DBSSQPVOUQHCCL-UHFFFAOYSA-N 383.315 3.662 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 223536856 DSBVRBVOGLAGHY-SFHVURJKSA-N 382.504 3.742 0 40 GHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1C1CCCC1 223613522 FRFNHQFZNSOYPO-RTWAWAEBSA-N 398.576 3.970 0 40 GHAB O=C(Nc1ccc(OCCN2CCOCC2)cc1)C1(c2ccccc2)CCCC1 225503481 ZQLDIDHBHGUHDL-UHFFFAOYSA-N 394.515 3.848 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](OC)c1ccc(Cl)s1 225706261 LJYGSUSEQHWGMG-CYBMUJFWSA-N 389.926 3.693 0 40 GHAB CC(C)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 225724908 UMCMJLWSYDAFAL-UHFFFAOYSA-N 384.501 3.910 0 40 GHAB CCCCCNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 225985114 ZXLQBEBJTLBVOE-UHFFFAOYSA-N 388.533 3.669 0 40 GHAB Cn1cc(-c2cccc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)n2)cn1 257235617 GYQDVPYBPHJAPT-QHCPKHFHSA-N 385.471 3.604 0 40 GHAB COc1ccc(CNC(=S)Nc2nc(C)cc(N3CCC[C@H](C)C3)n2)cc1 260715253 MPBZHRRFCDDKJK-AWEZNQCLSA-N 385.537 3.517 0 40 GHAB c1csc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)c1 306141202 VOGLCUFDWGMXHA-NRFANRHFSA-N 395.484 3.515 0 40 GHAB CCOc1ccc(C(=O)NCc2ccnc(-c3ccncc3)c2)cc1OCC 390828839 UTIIDQRCJXMWQV-UHFFFAOYSA-N 377.444 3.871 0 40 GHAB CC(C)c1ccc(NC(=O)C[C@H]2C(=O)OCN2C(=O)OCc2ccccc2)cc1 408738903 WWDJINOGAXUUQQ-IBGZPJMESA-N 396.443 3.660 0 40 GHAB Cc1cc(C)cc(CSCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 409127770 RJECSCWOKJYARX-UHFFFAOYSA-N 392.546 3.571 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2C)c1 409205507 OEEYHFMCZHPHAY-UHFFFAOYSA-N 392.249 3.870 0 40 GHAB CCOCc1ccc(NC(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1 438863277 VYKKYCZBEWHWQU-NRFANRHFSA-N 381.520 3.909 0 40 GHAB CC(C)C(=O)Nc1cc(C(=O)NCCOc2ccc(C(F)(F)F)cc2)ccn1 574923818 APVFAENLTDNPCA-UHFFFAOYSA-N 395.381 3.504 0 40 GHAB CC(C)Cn1cc(NC(=O)N2CCC3(C2)Oc2ccccc2O3)c(C(F)F)n1 577096690 FYTUMTQSALWDTK-UHFFFAOYSA-N 392.406 3.882 0 40 GHAB Cc1noc([C@H]2CN(C(=O)N[C@H](c3ccccc3Cl)C(C)C)C[C@@H](C)O2)n1 623617907 UZQFNJIVQPPBIG-JLZZUVOBSA-N 392.887 3.900 0 40 GHAB COc1ccc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)c(OC)c1 655265318 OPNAGBQDAXTBPE-UHFFFAOYSA-N 377.444 3.667 0 40 GHAB COc1ccc([C@@H]2OCC[C@H]2NC(=O)Nc2ccc3c(c2)CCC(C)(C)O3)cn1 952994781 PFSGWMSAIZYMSU-XLIONFOSSA-N 397.475 3.846 0 40 GHAB CC[C@H](Nc1ncnc2ccc(I)cc12)[C@H]1CCCOC1 1163983849 MGSFEQBOQHMDRL-FZMZJTMJSA-N 397.260 3.852 0 40 GHAB C[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cn(C)c2ccccc12 1609635986 KWKWDFNVGLXRQY-VBKZILBWSA-N 389.455 3.575 0 40 GHAB O=c1c2ccccc2ncn1CC1CCN(c2ncccc2C(F)(F)F)CC1 1888888064 JFBAGXQYBQCKHK-UHFFFAOYSA-N 388.393 3.727 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)N1C[C@H]2CCN(Cc3cccnc3)CC[C@H]2C1 2056223374 ICKIWOCBOKLKQS-CALCHBBNSA-N 386.446 3.736 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)o2)cc1OC 882400 JRBWALWCKUEWJV-CHWSQXEVSA-N 391.493 3.635 0 40 GHAB Cc1cccc(NC(=S)N(CCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)c1 884846 DVEXLMIGCMPHHD-UHFFFAOYSA-N 395.528 3.645 0 40 GHAB CCOC(=O)CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1 898678 VWZKCZAOAFDKLZ-UHFFFAOYSA-N 386.452 3.674 0 40 GHAB C[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)c1nc(-c2ccccc2)cs1 78655046 KYNCKXQHWUWIRW-OAHLLOKOSA-N 393.516 3.694 0 40 GHAB Cc1ccc(-c2cc(C(F)F)nc(S[C@@H]3CC(=O)[C@H]4OC[C@@H]3O4)n2)cc1 4573498 QJZHUDPDGNIUET-UXLLHSPISA-N 378.400 3.565 0 40 GHAB Cc1ccc(-c2cc(C(F)(F)F)nc(S[C@H]3CC(=O)[C@H]4OC[C@@H]3O4)n2)cc1 4577723 VHSVBFVUAMIUAE-DZKIICNBSA-N 396.390 3.646 0 40 GHAB Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 4732581 VXBPBIRTQBAILR-UHFFFAOYSA-N 386.498 3.787 0 40 GHAB CCC[C@@H](NC(=O)[C@H](C)Nc1ccc(NS(C)(=O)=O)cc1)c1ccccc1 23628703 IUPYBNNPBWTWPD-HNAYVOBHSA-N 389.521 3.516 0 40 GHAB CCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccc(C)cc1 6629619 ZHGVVEYVTQFRRN-UHFFFAOYSA-N 394.544 3.979 0 40 GHAB O=C1C[C@@H](c2ccccc2OCc2ccc(Br)cc2)n2ncnc2N1 6884671 ISARYPAOBGKZHS-HNNXBMFYSA-N 399.248 3.551 0 40 GHAB Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3ccc(C(N)=O)cc3)c(N)c12 1051407 FWGVNBWXIJOTMQ-UHFFFAOYSA-N 394.378 3.557 0 40 GHAB O=Cc1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7929470 FNOBKWSQVIZVPM-LBPRGKRZSA-N 378.211 3.764 0 40 GHAB CC1(C)Cc2c(sc3nc4n(c(=O)c23)CCCN4CCc2ccccc2)CO1 1279001 ANGDETWBYZWBAF-UHFFFAOYSA-N 395.528 3.762 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c(Br)c1 8368298 ZBIUIACQNWGXHU-LBPRGKRZSA-N 391.240 3.888 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810330 IUILQLRLSLIZBF-UHFFFAOYSA-N 384.860 3.808 0 40 GHAB CC(C)c1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 24911298 NQMAJZAUPLMYNL-QAPCUYQASA-N 394.471 3.769 0 40 GHAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)cc1 107151684 KOESXJMYFRLONR-UHFFFAOYSA-N 385.316 3.813 0 40 GHAB CC(C)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20037258 SDPGDQFOYKXHAZ-UHFFFAOYSA-N 386.517 3.988 0 40 GHAB Cc1ccc2c(c1)CCCN2C(=O)c1cn(-c2ccccc2Br)nn1 48236845 OXWFSTHOXLBZMC-UHFFFAOYSA-N 397.276 3.931 0 40 GHAB O=C(Nc1cccc(Br)c1)c1cn2c3c(cccc3c1=O)CCC2 22235243 YSKFHBIQLOEZRM-UHFFFAOYSA-N 383.245 3.963 0 40 GHAB C/C=C/c1ccc(OC[C@@H](O)CSc2nnc(NCC)s2)c(OC)c1 12772829 HDOYUTHMCFBGHR-DIECRNLCSA-N 381.523 3.544 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 22338515 WXLZTYZVBVFRPT-SFHVURJKSA-N 388.533 3.564 0 40 GHAB CCOC(=O)c1ccc(NC(=O)O[C@@H]2CCN3Cc4ccccc4N=C23)cc1 2139642 ZMKUFSXTFSGVLJ-GOSISDBHSA-N 379.416 3.730 0 40 GHAB biogenic CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 52782151 HBVCNABHHUDKTB-OAHLLOKOSA-N 386.517 3.588 0 40 GHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(F)c2)cc1OCC 20450711 HLFOOONTAALRNN-CYBMUJFWSA-N 397.468 3.671 0 40 GHAB CCCNC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 3316544 JLHREFLLKXXEIN-UHFFFAOYSA-N 381.354 3.527 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)Cc2ccco2)cc1 36394225 XIYDHZXXNWYQKX-UHFFFAOYSA-N 398.484 3.938 0 40 GHAB CC(=O)Nc1ccc(OC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)cc1 29777606 PTPDZFZFYNNIQW-UHFFFAOYSA-N 375.428 3.847 0 40 GHAB COc1ccc(CCNC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 20457469 GOWXDVOMRATUJD-CQSZACIVSA-N 375.490 3.552 0 40 GHAB Cc1nccn1CC1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 62017560 NZMPAFSLTCWWLY-UHFFFAOYSA-N 382.291 3.816 0 40 GHAB O=C(CCNC(=O)c1ccco1)Nc1nc(-c2ccc(Cl)s2)cs1 20990010 WURDADLESCNTQM-UHFFFAOYSA-N 381.866 3.877 0 40 GHAB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC3CC3)c2C1 3464989 XMKUWHBRSJHETN-AWEZNQCLSA-N 380.488 3.821 0 40 GHAB O=C(Nn1cnnc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2742755 AUMXKHPYFFJGJZ-UHFFFAOYSA-N 394.232 3.640 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 20152778 OBCWXDHKVYTHOG-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB CC(=O)Nc1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)cc1 3488917 ASKGRYCEULVUBO-UHFFFAOYSA-N 377.238 3.733 0 40 GHAB CC[C@@H](C(=O)OCC(=O)NCc1ccccc1Br)c1ccccc1 95471402 OGYWLFYXUUMYLE-MRXNPFEDSA-N 390.277 3.802 0 40 GHAB C[C@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(F)cc1 22526143 LDRMNMMCAQIZII-STQMWFEESA-N 398.887 3.511 0 40 GHAB COc1cc(Br)c(CC(=O)N[C@@H](C)c2cccs2)cc1OC 14119437 OZIXUETZKXAKDQ-JTQLQIEISA-N 384.295 3.948 0 40 GHAB COc1ccc(C(N)=O)c(OCC(=O)Nc2ccccc2Oc2ccccc2)c1 14244252 MDMIZZDULYBSGU-UHFFFAOYSA-N 392.411 3.604 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)N3CCC(c4ccccc4)=N3)o2)c1 5434724 STNHCTLXSIPYFB-UHFFFAOYSA-N 378.457 3.774 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)N(C)C)cc1OC 6663237 MVSSKGLUYWOCKJ-HXUWFJFHSA-N 395.503 3.835 0 40 GHAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Br)cc2)n2ncnc2N1 4716159 CRHDUKVEQCSSNP-OAHLLOKOSA-N 391.269 3.673 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(O)c2)N1Cc1ccncc1 6744800 GJAFGNONSRRBII-QFIPXVFZSA-N 398.422 3.628 0 40 GHAB C[C@@H]1CCc2sc(C(=O)OCC(=O)N3CCC(c4ccccc4)=N3)cc2C1 5773842 SUGHAXIAFRSKIM-CQSZACIVSA-N 382.485 3.666 0 40 GHAB O=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCCCCC1 5703448 SWSSNSNCRHTDTB-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB Nc1nc(COc2cccc3cccnc23)nc(Nc2ccc(Cl)cc2)n1 4945076 UJVLUVWQSFJTKD-UHFFFAOYSA-N 378.823 3.978 0 40 GHAB Cc1ccc(CN(C)C(=O)CSc2nncn2-c2cccc(Cl)c2)o1 7020077 RXBPPQZTWWVNKF-UHFFFAOYSA-N 376.869 3.573 0 40 GHAB CCc1cc2c(NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)ncnc2s1 69924374 QEFBWVRDFWTLTO-KRWDZBQOSA-N 382.489 3.983 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)c1 18217639 ONZOTLKHSIPBCM-SFHVURJKSA-N 375.472 3.814 0 40 GHAB CC(C)Cc1nnc2n1CCN(C(=O)C1(c3ccc(Cl)cc3)CCCC1)C2 72305530 VXCFVVWQGBINPP-UHFFFAOYSA-N 386.927 3.984 0 40 GHAB Ic1ccccc1NCc1cnc(-c2cnccn2)s1 89814377 YZOMGSLGHWEHMF-UHFFFAOYSA-N 394.241 3.817 0 40 GHAB O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@H]1CCn2c(cnc2C2CCCCC2)C1 95993074 PVCKKVTWBJXFHQ-AWEZNQCLSA-N 380.448 3.566 0 40 GHAB Brc1cc2c(cc1CN1CCO[C@H]3CCCC[C@@H]31)OCCCO2 95992445 WNHIANVZWXALMM-HOTGVXAUSA-N 382.298 3.754 0 40 GHAB O=C(c1ccccc1F)N1CC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306138480 RYMDBVVLRWSRGI-QGZVFWFLSA-N 387.418 3.560 0 40 GHAB COc1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)cc1OC 28285552 VFGRWHCDFNSZRL-KRWDZBQOSA-N 386.429 3.892 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc1Cl 25224483 GJBLOHPHZRKQIT-IBGZPJMESA-N 381.863 3.594 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 25467135 JOZRXBSKAJHRNM-UHFFFAOYSA-N 396.516 3.854 0 40 GHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCc1ccc(OC)c(OC)c1 408678343 FXSVQKMWJIMROX-KRWDZBQOSA-N 377.868 3.874 0 40 GHAB O=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCc1cccc(Cl)c1 32945224 FQZWSHSVFAGADK-UHFFFAOYSA-N 389.860 3.515 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 38756477 HYASWUDSRKXLTG-UHFFFAOYSA-N 389.260 3.626 0 40 GHAB CC(C)CCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)c1ccccc1 217519589 XPMDDPGLTBQVBI-OAHLLOKOSA-N 390.505 3.882 0 40 GHAB Cc1cnc(COCC(=O)NC(C)(C)Cc2ccc(Br)c(C)c2)o1 561645478 GZKOPEUHFGGUAP-UHFFFAOYSA-N 395.297 3.708 0 40 GHAB Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4ccc(=O)[nH]c4)C3)n2)c1 72349908 GXPNIINIJSIVLT-HXUWFJFHSA-N 387.483 3.689 0 40 GHAB O=C(Nc1ccccc1OC(F)(F)F)N1CCN(c2ccccc2O)CC1 43879412 OVSHQZVGDPESOW-UHFFFAOYSA-N 381.354 3.645 0 40 GHAB O=C(O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 40267802 CRMZJYVBTGIJBN-SFHVURJKSA-N 396.834 3.941 0 40 GHAB COc1cc(C(=O)Nc2c(C)cc(N)cc2Br)cc(OC)c1OC 226763287 OVDZHFAWUKTJMP-UHFFFAOYSA-N 395.253 3.618 0 40 GHAB COc1ccc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1OC 49546764 VRBMVDLEGCYRNH-OAHLLOKOSA-N 396.468 3.664 0 40 GHAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 225006592 KWMKELVRJBNAFX-UHFFFAOYSA-N 393.531 3.682 0 40 GHAB O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCN(c2ccc(F)cc2)CC1 226041894 FVWXJVYIIFJZQA-UHFFFAOYSA-N 386.810 3.548 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC[C@@H]2C)n1 225891268 WHRQLHWJXGHHKM-INIZCTEOSA-N 390.601 3.788 0 40 GHAB COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)c1 574209867 YDOGKLJMLDBFNL-UHFFFAOYSA-N 380.775 3.701 0 40 GHAB CC(C)(C)OC(=O)N1CCC(NCCc2ccc(Br)cc2)CC1 89212621 PKEKOQXJXISTLW-UHFFFAOYSA-N 383.330 3.981 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 222983603 TUDSTRSZAOYNCZ-UHFFFAOYSA-N 390.505 3.532 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(-c4ccco4)nc3)CC2=O)cc1C 225751527 HMAPHLPHDFYNNJ-SFHVURJKSA-N 389.455 3.628 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OC)c(OC)c1OC 44902042 OVHLNELZQLTITM-SFHVURJKSA-N 387.476 3.803 0 40 GHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 223276746 IEZTWTINSQGLHP-NHCUHLMSSA-N 397.592 3.922 0 40 GHAB O=C1CCCN1CCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225811937 IPVQQMGAHKADLQ-UHFFFAOYSA-N 385.558 3.888 0 40 GHAB Cc1nc(C(=O)N2CCCCC2)cc(N2CCC(Cc3ccccc3)CC2)n1 96182848 UUDWKULYLDOORM-UHFFFAOYSA-N 378.520 3.870 0 40 GHAB CC(C)N1CCC2(CC1)CN(S(=O)(=O)c1ccccc1)Cc1ccccc12 96242409 WBTPJEPQSHRZJW-UHFFFAOYSA-N 384.545 3.633 0 40 GHAB COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1OC 149261086 IBXYKCJULPHZJE-AWEZNQCLSA-N 377.868 3.874 0 40 GHAB CC(C)n1nnc(-c2ccc(C(=O)Nc3ccc(C(F)(F)F)nc3)cc2)n1 96224139 PXKLXTPVATUKIP-UHFFFAOYSA-N 376.342 3.587 0 40 GHAB CC(C)Oc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 244177787 VHIBUXLCINJZLC-UHFFFAOYSA-N 396.896 3.532 0 40 GHAB Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)c3ccc(O)cc3)C2)n1 257262006 LJQRAOYFECMUAA-INIZCTEOSA-N 377.444 3.764 0 40 GHAB C[C@@H]1Cc2cc(-c3ccc(CNC(=O)c4cnc5c(cnn5C)c4)cc3)ccc2O1 533863607 GKMKMVFSMCKZCO-OAHLLOKOSA-N 398.466 3.889 0 40 GHAB COc1cccc(CC(=O)N2CCc3ccc(NCc4cnc(C)o4)cc32)c1 628233987 GAKOVYBDAPXMNI-UHFFFAOYSA-N 377.444 3.736 0 40 GHAB O=C(O)CC1(NCc2coc(-c3cc(Cl)cc(Cl)c3)n2)CCOCC1 629489574 ISYCIXFJKIAAPM-UHFFFAOYSA-N 385.247 3.762 0 40 GHAB C[C@]1(C(=O)O)CCC[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCC1 659233431 CIECBEYIIIOJCZ-PBHICJAKSA-N 380.282 3.630 0 40 GHAB O=C(C[C@@]12CCCC[C@H]1C2(F)F)Nc1cccc(C(=O)N=c2cc[nH]cc2)c1 667814294 MTCNVDWJTPHHSI-XLIONFOSSA-N 385.414 3.910 0 40 GHAB CC(C)CCOc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)nn1 667993683 HVWJXZPGZZNMNP-IRXDYDNUSA-N 376.501 3.715 0 40 GHAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1nccc2ccccc12 585111603 XOGQHWXOOVUYMF-OAQYLSRUSA-N 398.466 3.523 0 40 GHAB O=C(c1ccsc1)N1CCC2(CC1)CN(C(=O)N1CCCC1)c1ccccc12 585104102 LOSFIYQQOLDHSX-UHFFFAOYSA-N 395.528 3.958 0 40 GHAB Cn1nccc1CCC(=O)N1CCC[C@@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615124579 YIYQFCQCXBLEKD-JOCHJYFZSA-N 384.499 3.542 0 40 GHAB O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(OC(F)(F)F)cc1 5267360 MTVKCNJXORCSNP-UHFFFAOYSA-N 391.349 3.714 0 40 GHAB COc1ccc(OC)c(NC(=O)C[C@H](Cc2ccc(Cl)cc2)C(=O)O)c1 5558523 XGRIRVJILBCLBH-ZDUSSCGKSA-N 377.824 3.629 0 40 GHAB CCOc1ccccc1NC(=O)CN1CCC(C(=O)c2cccc(F)c2)CC1 12113078 XCGMJOZBIXFPIR-UHFFFAOYSA-N 384.451 3.758 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NCCc2ccc3c(c2)CCCN3C)c1C 13008724 BDIYXBJLYSRNFK-UHFFFAOYSA-N 386.561 3.824 0 40 GHAB CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1Cl 14068127 CGXBWEJEQRXVIH-UHFFFAOYSA-N 379.898 3.806 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCCC3)CC2)cc1 15593464 XZGBVLUZGMJSPD-UHFFFAOYSA-N 392.565 3.625 0 40 GHAB O=C(NCc1ccncc1)c1cc([C@H]2CCCN(CC3CCCCC3)C2)no1 19405411 GKRSBMKVSZBIMO-IBGZPJMESA-N 382.508 3.759 0 40 GHAB COCCC(=O)N1CCC[C@@H](c2cc(Oc3ccc(N(C)C)cc3)cc(C)n2)C1 19570128 TWVZLRMKMYATEV-GOSISDBHSA-N 397.519 3.991 0 40 GHAB CCc1nnsc1C(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C 19711670 XKUJPICTEJOFHU-RLLQIKCJSA-N 398.576 3.801 0 40 GHAB COc1ccc(OC)c(CN2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)c1 19712604 BJTFJBCVBGOHEB-IMSXRSKXSA-N 394.515 3.731 0 40 GHAB O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1Cl)N1CCCC1 35290441 WMGISIWDKPPUIM-UHFFFAOYSA-N 399.907 3.697 0 40 GHAB COc1cccc2cc(-c3cc(=O)oc4cc(OCC(C)=O)ccc34)c(=O)oc12 2160333 RFZDHUPROIEYEO-UHFFFAOYSA-N 392.363 3.543 0 40 GHAB biogenic COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4cccc(F)c4)[C@H]23)cc1 19019361 RSDQQHVDBXWCDE-DNVJHFABSA-N 382.479 3.813 0 40 GHAB C[C@H](Sc1nncn1-c1ccccc1F)C(=O)N[C@H](C)c1ccc(F)cc1 4890883 OTBVZBMIUCPCHK-OLZOCXBDSA-N 388.443 3.904 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)C1 21277195 MGIMBSBCOIRPMG-RYUDHWBXSA-N 383.366 3.695 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1 7402496 LAXVDNUGSJENOY-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB Cc1csc(CNC(=O)c2ccc(Cl)cc2I)n1 32924465 CIJZHKSLFCKVBC-UHFFFAOYSA-N 392.649 3.640 0 40 GHAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2ncc(Cl)cc2Br)C1 2087051401 QAQDEXOZWPFSCZ-LBPRGKRZSA-N 388.737 3.971 0 40 GHAB COc1ccc(CC(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 4305009 BOFSOTCOLJBRKU-NRFANRHFSA-N 376.456 3.751 0 40 GHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)C1 5748685 QNYPKLHWRGHWPL-IRXDYDNUSA-N 386.517 3.630 0 40 GHAB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3cc(C)nn3C)sc2c1 9002665 NTPYHSANCGMAAP-UHFFFAOYSA-N 393.472 3.589 0 40 GHAB Cc1ccccc1NC(=S)N[C@@H](C)[C@H](c1ccccc1)N1CCN(C)CC1 22928326 UIIRGULKCJQLCM-GHTZIAJQSA-N 382.577 3.659 0 40 GHAB COc1cccc(CN2CCC(Cn3cnc4ccccc4c3=O)CC2)c1Cl 1775973132 LMYGEUKTPYIKMF-UHFFFAOYSA-N 397.906 3.971 0 40 GHAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)Nc1c(F)cccc1F 206845253 XTBRPZJEBRCPIP-CYBMUJFWSA-N 386.358 3.645 0 40 GHAB O=S(=O)(NCc1ccc(-c2cccnc2)nc1)c1ccccc1C(F)(F)F 225766750 YUKFXLAKXGDUFH-UHFFFAOYSA-N 393.390 3.641 0 40 GHAB Cc1nc(-c2ccc(CCNS(=O)(=O)c3ccccc3F)s2)cs1 40012283 IMQZZROCAVWNMP-UHFFFAOYSA-N 382.507 3.840 0 40 GHAB C[C@@H](NC(=O)c1cn(-c2ccccc2Br)nn1)c1ccccc1F 40073685 XISICUFXNUJPMW-LLVKDONJSA-N 389.228 3.660 0 40 GHAB O=C(C[C@@H]1C=CCC1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40107831 QEQQUIBMNXNKEG-PBHICJAKSA-N 380.410 3.841 0 40 GHAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 101181903 BTAXHRMUPDJBLR-ZLMZMPOKSA-N 384.657 3.547 0 40 GHAB CSCc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 21558339 UVKWXJPDQWACGJ-UHFFFAOYSA-N 382.529 3.718 0 40 GHAB CCC[C@@](C)(NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OC 32809100 TUJVOSNLRHPLSJ-LJQANCHMSA-N 378.856 3.776 0 40 GHAB COc1ccccc1-c1nnc2sc(-c3ccc(Br)o3)nn12 2370813 BRZLAQNFNZTKAL-UHFFFAOYSA-N 377.223 3.884 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccc2C)n1N 2374325 YOUJBCKXVUDKFB-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 2654979 OPEAKAXBEJBSHG-MRXNPFEDSA-N 399.878 3.789 0 40 GHAB COc1cccc(Cn2nc(C)c(-n3c(=S)[nH]c4ccccc4c3=O)c2C)c1 2793859 YZMNSWRNJJXVPL-UHFFFAOYSA-N 392.484 3.919 0 40 GHAB COc1ccc2nc(NC(=O)CCNC(=O)c3ccccc3Cl)sc2c1 3366716 SKKYWAALJLNZAD-UHFFFAOYSA-N 389.864 3.717 0 40 GHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 3439678 JONVZETZUVFTRR-IBGZPJMESA-N 383.444 3.657 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2C(C)C)cc1 3587442 YKZONQFAKZPDQU-UHFFFAOYSA-N 386.477 3.536 0 40 GHAB COc1ccc(CNc2nc(-c3ccc(OC)cc3)nn2C(=O)C(C)C)cc1 4777306 NQUCREGZLLQXSS-UHFFFAOYSA-N 380.448 3.871 0 40 GHAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@H]1c1ccc(OC)cc1 4816624 XEQVCSZVGKRZLM-RBUKOAKNSA-N 380.423 3.903 0 40 GHAB COc1cc(CNc2nnnn2C)ccc1OCc1ccc(Cl)c(Cl)c1 4998574 PZGWNRMYHQQWQM-UHFFFAOYSA-N 394.262 3.717 0 40 GHAB CCc1c(C)sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1C(=O)OC(C)C 5094744 IMTSCXFDHZSDIB-OSRDXIQISA-N 393.505 3.870 0 40 GHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(OC)ccc(C)c3s2)cc1 5241878 USQIALALVRPZPS-UHFFFAOYSA-N 390.486 3.659 0 40 GHAB O=Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 5404977 VUNSWBOWEIQPLN-UHFFFAOYSA-N 387.391 3.526 0 40 GHAB O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccc(Br)cc1F 5428241 HSKRMJKAMLWUQV-UHFFFAOYSA-N 399.223 3.532 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc(C(=O)OC)c1 5680452 UQEJUOVIQHHJJM-UHFFFAOYSA-N 381.306 3.531 0 40 GHAB COc1cccc(-n2cnnc2S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 5895512 HIOOKWWRNRDNPJ-LSDHHAIUSA-N 394.500 3.734 0 40 GHAB COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cccc(O)c2)cs1 6119912 RXDLFPCAVNDVQR-UHFFFAOYSA-N 398.440 3.899 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1 6139220 BCRLRJWQURKJJI-UHFFFAOYSA-N 390.505 3.515 0 40 GHAB COc1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1 6316869 DTUVSBONZFOEKD-UHFFFAOYSA-N 378.194 3.537 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 6480373 BCVUTMHAQBLQDB-UHFFFAOYSA-N 398.406 3.742 0 40 GHAB CCOC(CCCNC(=O)c1c(C)nn(-c2ccccc2)c1Cl)OCC 6543307 QYRLTCFCENHPNH-UHFFFAOYSA-N 379.888 3.743 0 40 GHAB O=C(Cc1cccs1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 6553151 NOHHYBVQELZAAI-UHFFFAOYSA-N 394.452 3.588 0 40 GHAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)NCc3ccco3)nc2n1 6578405 PZWHENMGGBTNNO-UHFFFAOYSA-N 393.472 3.556 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC)c(Cl)c3)CC2=O)cc1 6649536 XXHGWPBIWOHISK-ZDUSSCGKSA-N 388.851 3.739 0 40 GHAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1ccc2ccccc2n1 7199647 IMBYQKKGGRQGTR-UHFFFAOYSA-N 399.541 3.553 0 40 GHAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)C(F)F)cc1 7407946 FDGHILMVPNYZCM-UHFFFAOYSA-N 377.771 3.657 0 40 GHAB C[C@H](NC(=O)c1cc(Br)ccc1O)c1ccc(-n2ccnc2)cc1 7735788 GRQPKCDBIDJTDL-LBPRGKRZSA-N 386.249 3.831 0 40 GHAB COc1ccccc1N1CCN(C(=O)CCCc2nc3ccccc3s2)CC1 8200321 LQZACRRDFIQENH-UHFFFAOYSA-N 395.528 3.976 0 40 GHAB CCc1ccccc1NC(=O)CN(C)C(=O)c1c(-c2ccccc2)noc1C 8249674 JXXHWDBMGBUCQU-UHFFFAOYSA-N 377.444 3.923 0 40 GHAB Cc1nc(-c2cccc(NC(=O)CCN3C(=O)COc4ccccc43)c2)cs1 8327878 FFHOBTASGQRHMW-UHFFFAOYSA-N 393.468 3.873 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1C 8413832 KYJXKRFUQOGDFG-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(Br)cc2)C1=O 8891641 DEKTWXPUYAQPNY-SFHVURJKSA-N 391.240 3.946 0 40 GHAB O=C1CCCN1c1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 9049282 OIBSFISSZLJWQD-IBGZPJMESA-N 392.455 3.562 0 40 GHAB Cc1oc2cc(OCC(=O)N3CCSCC3)ccc2c(=O)c1-c1ccccc1 9051618 AEDLBRLHRPVWQA-UHFFFAOYSA-N 395.480 3.723 0 40 GHAB biogenic COCCn1c(SCc2coc(-c3ccccc3)n2)nc2ccccc2c1=O 9366151 BJPYRNGZYAPUBF-UHFFFAOYSA-N 393.468 3.990 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)N(C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 9850404 AFXASYRGUJOLLQ-PKOBYXMFSA-N 385.504 3.650 0 40 GHAB O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCCCn1ccnc1 12116807 LWQUXMIPIHNZJM-UHFFFAOYSA-N 379.489 3.558 0 40 GHAB COCCC(=O)N1CCC[C@@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 12220390 UUOOYFJIWVNGRE-CQSZACIVSA-N 384.402 3.572 0 40 GHAB Cc1noc(C)c1CN1C(=O)COc2ccc(NC(=O)Nc3ccccc3)cc21 12235007 GILQDPZFPDPBDE-UHFFFAOYSA-N 392.415 3.861 0 40 GHAB CCOc1ccc(CCNC(=O)CCOc2ccc(C(C)=O)cc2)cc1OCC 12729143 VMOKPEBOPUNIJC-UHFFFAOYSA-N 399.487 3.814 0 40 GHAB C[C@@H](Sc1nnnn1C1CCCCC1)C(=O)Nc1ccc(OC(F)F)cc1 12869998 CHUAXEFZZOJIPQ-LLVKDONJSA-N 397.451 3.899 0 40 GHAB COc1ccc2c(C)cc(SCC(=O)NCc3ccc4c(c3)OCO4)nc2c1 13208660 MXASZVQRPNGXKO-UHFFFAOYSA-N 396.468 3.689 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)NC[C@@H]3COc4ccccc4O3)ccc2c1 14182008 RYWIYOKOKLLRGH-MGPUTAFESA-N 377.440 3.908 0 40 GHAB Cc1cccc(C)c1NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 14672639 RGAPFVIBFNEAJV-UHFFFAOYSA-N 386.517 3.659 0 40 GHAB O=C(CNc1ccc(Cl)cc1F)Nc1cc(Cl)ccc1-n1cncn1 15292074 CBXQLDTYDJMSPI-UHFFFAOYSA-N 380.210 3.764 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2sc3ncccc3c2-n2cccc2)CC1 15785996 PYVJOOFVYCFGSI-UHFFFAOYSA-N 383.473 3.502 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(OC(F)F)cc1 15797685 IBESBPOONWTRLN-UHFFFAOYSA-N 377.343 3.661 0 40 GHAB COc1ccc(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)cc1Cl 15842089 NSESQYOZWBCORL-UHFFFAOYSA-N 388.876 3.957 0 40 GHAB CC(=O)N1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1 16200236 WOGIGHVFIFDFFO-UHFFFAOYSA-N 391.496 3.781 0 40 GHAB Cc1nc(C(=O)NCCc2c[nH]c3ccccc23)nn1-c1ccc(Cl)cc1 17296236 RXOQWDKHZFUJNN-UHFFFAOYSA-N 379.851 3.683 0 40 GHAB CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccncc4)cc3C2=O)cc1 17583533 UMFTUSQTGSOMOU-UHFFFAOYSA-N 387.395 3.533 0 40 GHAB Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 18100033 OWCBLQZDDQPTQV-IYBDPMFKSA-N 386.517 3.914 0 40 GHAB FC(F)(F)c1cccc(N2CCN(Cc3ccnc(-c4cccnc4)n3)CC2)c1 19330635 OSNXUXQNRBVJMZ-UHFFFAOYSA-N 399.420 3.880 0 40 GHAB COc1cccc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c1 19565087 MVUVMOPJEYWDHR-OAHLLOKOSA-N 394.924 3.527 0 40 GHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1c[nH]nc1-c1ccccc1 19714647 AAYOGSLROBCLQJ-UHFFFAOYSA-N 383.835 3.821 0 40 GHAB Cc1nn(C)cc1[C@@H](C)NC(=O)CC1CCN(C(=O)CC2CCCCC2)CC1 19748253 CHVLXEBDZCQSIO-MRXNPFEDSA-N 388.556 3.505 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857102 QDFFGMSHXLPUMC-INIZCTEOSA-N 392.908 3.521 0 40 GHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccncc2)C12CCCCC2 20739768 XNKNCOPQMHXHPH-HXUWFJFHSA-N 393.487 3.609 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)NC1CCCCCC1)CC3 20763531 YSTWVMFUAGXYBJ-UHFFFAOYSA-N 397.519 3.680 0 40 GHAB biogenic CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@@H]1CCCc3ccccc31)cn2C 22237436 GRGCMMAYNMBOSA-HXUWFJFHSA-N 376.456 3.745 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 22533430 UBGXIJPTIBPBME-ZDUSSCGKSA-N 380.897 3.819 0 40 GHAB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)Nc1cccc2c1CCCC2 22834079 NVKXCBGAWPSSOV-UHFFFAOYSA-N 379.485 3.967 0 40 GHAB S=c1ncccn1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22912618 FWQHZVIUJRVIPT-UHFFFAOYSA-N 376.529 3.977 0 40 GHAB COc1ccc(C)cc1CN1CCN([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 22924380 XXEWNNXMIWYSBC-HXUWFJFHSA-N 395.547 3.765 0 40 GHAB Cc1ccc(C(=O)NCC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1 23055051 YKEPWXKDVNDGRS-HSZRJFAPSA-N 398.466 3.507 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)c1nc2ccccc2nc1N1CCCC1 23125643 VLUPNMGKRARUTP-UHFFFAOYSA-N 387.892 3.857 0 40 GHAB CC(=O)c1ccc(OCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 24716032 RZTCABVCHOJDKU-UHFFFAOYSA-N 377.444 3.551 0 40 GHAB CCN(CC)c1ccc(NC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)cc1 29102333 UACGUAXTTCNDIP-QFIPXVFZSA-N 397.519 3.691 0 40 GHAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 30521582 QJXJCQFHRSYVSM-HOTGVXAUSA-N 386.835 3.920 0 40 GHAB Cc1ccc(Cn2ccs/c2=N\C(=O)c2cccc(C[S@](C)=O)c2)cc1 30990500 MSRFWRWAOGJMFH-BWTMEZPESA-N 384.526 3.526 0 40 GHAB Cc1ccc(OCCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1C 32769172 VUMPUOWSWRLGKY-OAQYLSRUSA-N 381.451 3.851 0 40 GHAB CN(Cc1cccc(Cl)c1)c1cc(C(=O)N2CCOCC2)c2ccccc2n1 32837509 SCYFQTGBHUSNGD-UHFFFAOYSA-N 395.890 3.997 0 40 GHAB O=C(CSc1nc(Cc2cccs2)n[nH]1)c1ccc(N2CCCC2=O)cc1 32893255 ROYOSOXTLXQBEA-UHFFFAOYSA-N 398.513 3.559 0 40 GHAB CS(=O)(=O)Nc1cccc(NC(=O)CCOc2ccc3ccccc3c2)c1 32923989 NMKHNJFXAXEBLP-UHFFFAOYSA-N 384.457 3.619 0 40 GHAB CC(=O)Nc1ccc(CC(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)cc1 32930269 DYEHVKGEBWXBHA-SFHVURJKSA-N 393.531 3.878 0 40 GHAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1nc(-c2ccc3c(c2)OCO3)cs1 32970965 JGKNCMMLVSAOSM-INIZCTEOSA-N 394.408 3.779 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1 33088898 NNQOPINLKFPFEJ-ZDUSSCGKSA-N 376.412 3.548 0 40 GHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CCN(c3ccccc3)CC1)C2 35075055 JQRIJBVNFRDMPG-SPHCQZIESA-N 386.580 3.791 0 40 GHAB C[C@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)Nc2cccc(Cl)c2)N=C1O 36592919 FOCVYTFVPOWZSB-CXAGYDPISA-N 385.851 3.945 0 40 GHAB CCn1cc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2CC)cn1 36631383 UHJHEFSWXPBHSI-UHFFFAOYSA-N 390.900 3.566 0 40 GHAB COc1ccc(SCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1OC 38772798 RPHOJGBKTGNOGB-CYBMUJFWSA-N 391.489 3.691 0 40 GHAB CN(Cc1cccc(Cl)c1)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 40067952 QVNMYVMIRWPGFF-HXUWFJFHSA-N 387.911 3.555 0 40 GHAB O=C(CCNC(=O)OCc1ccccc1)Oc1ccc(Br)cc1 40128217 LWYPVWKACWLZGA-UHFFFAOYSA-N 378.222 3.671 0 40 GHAB Cc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1S(C)(=O)=O 40140197 VKSVIBTUKDDRQZ-UHFFFAOYSA-N 394.448 3.849 0 40 GHAB C[C@@H](Sc1nncs1)C(=O)NCc1cccnc1Oc1cccc(F)c1 40154484 GHSYCBRNYQHVLI-LLVKDONJSA-N 390.465 3.662 0 40 GHAB Cc1cccc(C(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)c1 41085640 QLWHIVVUKRXMKH-UHFFFAOYSA-N 389.411 3.736 0 40 GHAB COc1ccc(-c2nc(CN3CCC[C@@H]3c3nnc4ccccn34)co2)cc1 42754698 BPMTWBLEULCSFO-GOSISDBHSA-N 375.432 3.730 0 40 GHAB CCc1ccccc1N(CC(=O)N[C@H](CC)c1ccc(C)cc1)S(C)(=O)=O 44885684 SVRYEOYZZQLYQO-LJQANCHMSA-N 388.533 3.591 0 40 GHAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccnc(OCC(F)(F)F)c1 48355494 HLNTWIGDMAUGDV-CYBMUJFWSA-N 384.423 3.961 0 40 GHAB COc1ccc(OCCN(C)CC(=O)N(C)[C@H]2CCCc3ccccc32)cc1 49634629 FRAYNBSSBAZWMN-QFIPXVFZSA-N 382.504 3.542 0 40 GHAB CCN(CC)Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 57276148 NGNPUNQFYDSZCC-IBGZPJMESA-N 383.511 3.924 0 40 GHAB CCCCN(CC)C(=O)Cn1c(-c2cccc(Cl)c2)nc(CC)cc1=O 57527530 FZTUAJRBCXTDCT-UHFFFAOYSA-N 375.900 3.775 0 40 GHAB NC(=O)CN(C(=O)c1ccc(-c2nc3ccccc3s2)s1)C1CCCC1 58395351 MYFYAACPLXDGRY-UHFFFAOYSA-N 385.514 3.895 0 40 GHAB Cc1cccc(-c2nnc(-c3ccc(C(=O)NO[C@@H]4CCCCO4)cc3)o2)c1 58414391 QVVHDBXADWPWHZ-GOSISDBHSA-N 379.416 3.900 0 40 GHAB Cc1nc2ccc(C(=O)NCCNc3ncc(Cl)cc3Cl)cc2nc1C 60672876 GEDGDCONRGWDJB-UHFFFAOYSA-N 390.274 3.790 0 40 GHAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 61717708 FSBNVMUCVBTWTF-UHFFFAOYSA-N 397.740 3.814 0 40 GHAB NCc1ccc([C@H](C(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)cc1 71791532 LJQDBLIKMVAQFE-JOCHJYFZSA-N 387.435 3.669 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 71886850 QRKHNLJMYPPFTP-VHDGCEQUSA-N 377.362 3.765 0 40 GHAB COCCn1ccc2c(C(=O)N3CCc4cc(OC)c(OC)cc4C3)cccc21 79190562 DLOOXDHYWBSLLE-UHFFFAOYSA-N 394.471 3.503 0 40 GHAB biogenic CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2Cc1ccc(F)c2cccnc12 89322634 OLZDXRFHAIVXNJ-UHFFFAOYSA-N 399.491 3.577 0 40 GHAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 89558857 DKEHQLHRZJMYII-NEPJUHHUSA-N 391.459 3.505 0 40 GHAB CCOc1cc(CN2CCCN(c3nc(C)ns3)CC2)ccc1OC(F)F 93717183 MDPKPVHLEDPHEU-UHFFFAOYSA-N 398.479 3.559 0 40 GHAB COc1ccc(-c2c(Nc3ccccc3C)oc3c2c(=O)n(C)c(=O)n3C)cc1 95116746 RBUDLGMJWVUIBA-UHFFFAOYSA-N 391.427 3.558 0 40 GHAB Cc1sc2nc(CCC(=O)N(C)[C@H](c3cccnc3)C(C)C)[nH]c(=O)c2c1C 95349333 PAEKQXXFKKLGTG-IBGZPJMESA-N 398.532 3.785 0 40 GHAB O=C(c1ccc2cc[nH]c2c1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211844 FIIGPUWZHPSCAF-UHFFFAOYSA-N 377.473 3.582 0 40 GHAB CCc1onc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1 100155860 BZWGQOSUAIQSJB-GASCZTMLSA-N 395.463 3.694 0 40 GHAB Cc1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102076829 WMWUOHCUGAOQAH-ZQMBKUMFSA-N 399.446 3.772 0 40 GHAB Cc1ccc(C(=O)Oc2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 102617859 DAXNLRPFFBIFNM-XAMWDVODSA-N 375.424 3.750 0 40 GHAB CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 113949621 QPJPFEOYYHVUGE-YLJYHZDGSA-N 388.533 3.725 0 40 GHAB CC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(OC)c(OC)c1 219205646 VOOPYXPYYIXVFJ-SFHVURJKSA-N 382.460 3.712 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(CC)c2)c(C)c1 223685444 ISEIEOGCTQKNSG-UHFFFAOYSA-N 377.462 3.544 0 40 GHAB S=C(NCC1(c2ccccc2)CCOCC1)Nc1ncc(Cl)nc1Cl 224012448 FRPBZIUOBYXRFV-UHFFFAOYSA-N 397.331 3.818 0 40 GHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccccc1 224076240 CWCFEBNREKLGIA-GOSISDBHSA-N 384.545 3.968 0 40 GHAB CCCc1ccc(OCCNC(=O)COc2ccc(Br)cc2)cc1 224241161 BWDMGOHIWRWWLO-UHFFFAOYSA-N 392.293 3.976 0 40 GHAB CC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccc4c(c3)OCCO4)n2)cc1 225405903 WYYIBFOIKWWLAZ-UHFFFAOYSA-N 393.443 3.735 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 225457403 RZDJAPAMIJYZRG-UXHICEINSA-N 380.532 3.912 0 40 GHAB Cc1cccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 244425267 YVXPFHDIKATVPT-HNNXBMFYSA-N 376.378 3.683 0 40 GHAB CC(C)c1ccc(NC(=O)CN2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1 257330113 XMXBJKDRHIQJJO-GMAHTHKFSA-N 382.504 3.653 0 40 GHAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(OC)cc2)c1 408628742 WUTXBAIKYFGLPB-UHFFFAOYSA-N 391.880 3.824 0 40 GHAB CC(C)OC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)c1 408711844 NHSTXDYJAFLRQX-UHFFFAOYSA-N 396.472 3.768 0 40 GHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O 409103127 AWCGQOJCJXKPGK-WWNSAXIVSA-N 383.853 3.725 0 40 GHAB COc1ccccc1NC(=O)Cn1nc(COc2cccc(C)c2)oc1=S 409156197 QZIDVXFWPZCDOV-UHFFFAOYSA-N 385.445 3.740 0 40 GHAB O=C(NCC1(c2ccccc2Cl)CC1)N1CC[C@@H](n2cc(Cl)cn2)C1 558604925 DTXJJCXPMWCIGZ-CQSZACIVSA-N 379.291 3.878 0 40 GHAB COc1ccc(CC(=O)NCCn2nc(C)c(-c3ccsc3)c2C)cc1OC 575616264 YMMTXLWQTDFKED-UHFFFAOYSA-N 399.516 3.605 0 40 GHAB Cc1ccc(C)n1CCC(=O)NCC1(Cc2nnc3ccccn23)CCCCC1 604419801 YZXPZUKBSLTGTK-UHFFFAOYSA-N 393.535 3.847 0 40 GHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)CCc3ccccc3F)C2)cc1C 2037913042 MGGQOWHMBCBHBN-QHCPKHFHSA-N 385.479 3.808 0 40 GHAB O=C(NOCc1ccccc1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 84541168 GNSAHKSJNXEGMQ-ZDUSSCGKSA-N 379.243 3.594 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3)C2)cc1 792285 DLUMBTNWHAGHAN-OAHLLOKOSA-N 392.908 3.688 0 40 GHAB Cc1ccc(C2=NN(C(=O)c3ccc(N(C)C)cc3)[C@](O)(C(F)(F)F)C2)cc1 877736 GWVWSTUVKHSLOR-LJQANCHMSA-N 391.393 3.562 0 40 GHAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)[C@@H]3CCCO3)c(=O)[nH]c12 1346797 UYHBVOMWHSRLAP-FQEVSTJZSA-N 394.446 3.683 0 40 GHAB CC(C)(C)c1cn2nc(N3CCN(c4ccc5ccccc5n4)CC3)sc2n1 79016285 HEISRJYGLBYZDK-UHFFFAOYSA-N 392.532 3.963 0 40 GHAB O=C1c2ccccc2C(=O)N1CCCSc1nnc2ccc3ccccc3n12 1924107 FNWCZAXEKBVXEP-UHFFFAOYSA-N 388.452 3.661 0 40 GHAB Fc1ccccc1CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 23259280 CDGQZFUNHXPODO-UHFFFAOYSA-N 386.858 3.847 0 40 GHAB Cc1ccc(OCCOCCOc2ccc(/C=C3/SC(=N)NC3=O)cc2)cc1 2977387 ALTBTWWTFRATHX-XMHGGMMESA-N 398.484 3.608 0 40 GHAB Cc1csc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)n1 4860699 QEUJNPJRXAAGGX-UHFFFAOYSA-N 391.522 3.998 0 40 GHAB COC(=O)c1cn(CC(=O)Nc2ccc(Br)cc2)c2ccccc12 6788929 DQOYFIFSWSGLGR-UHFFFAOYSA-N 387.233 3.829 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 6946700 BTSOIOHOSLVKHL-INIZCTEOSA-N 392.496 3.634 0 40 GHAB C[C@@H](NC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 19310352 LGONGOBRFKXYTJ-CZUORRHYSA-N 393.505 3.596 0 40 GHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1nc(-c2cccnc2)cs1 12558639 BEBKOAFHNDTRLU-HNNXBMFYSA-N 382.470 3.647 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(C)cc3Cl)C(=O)[C@H]2C)cc1 24770890 IONSQGJCGOOJGC-CQSZACIVSA-N 385.851 3.753 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1 1436556 CNGBATFFKANNNK-QGZVFWFLSA-N 388.467 3.971 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 22340414 NDJXFDBGGBPUKR-SFHVURJKSA-N 388.533 3.564 0 40 GHAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)C3[C@H]4CCCC[C@H]34)n2)cc1 100770156 BKOLJWUZXOUIPH-HOTGVXAUSA-N 390.530 3.800 0 40 GHAB O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccccc1Sc1ccccc1 9184238 RZMQOSLRWYACBH-YQVWRLOYSA-N 395.528 3.566 0 40 GHAB COc1ccc(/C=C/c2nc3s/c(=C\c4cccc(Cl)c4)c(=O)n3n2)cc1 27022501 JIKVKBKDVJHVST-VXGMZCCXSA-N 395.871 3.531 0 40 GHAB COc1cc2cc(C(=O)N(Cc3ccc(C)o3)C3CC3)[nH]c2c(OC)c1OC 48290653 GZMMYNGTTABFGB-UHFFFAOYSA-N 384.432 3.900 0 40 GHAB O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(C2SCCCS2)cc1 48288580 ZWZDUGCQYLAPBH-UHFFFAOYSA-N 383.502 3.988 0 40 GHAB O=C1CCCN1c1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)cc1 44575883 KUEHVWZNBQXFKG-HSZRJFAPSA-N 385.467 3.860 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)Nc3cccc(-c4nnnn4C)c3)ccc2c1 10090988 CASGFSOQPHCCSU-AWEZNQCLSA-N 387.443 3.781 0 40 GHAB Cc1ccc(-c2csc(=O)n2CC(=O)NCCCOCc2ccccc2)cc1 10135720 UBPBIZNXKXPVBV-UHFFFAOYSA-N 396.512 3.608 0 40 GHAB COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccc(F)cc2)CC(O)=N3)cc1 20745435 LWCDKGUZNLMUEN-QGZVFWFLSA-N 380.379 3.869 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2c(-c3ccccc3Cl)noc2C)CC1 12772097 JPOWKQAKSHJIJW-UHFFFAOYSA-N 391.855 3.654 0 40 GHAB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc(C)c2)cc1OCC 10543994 WUPANPCQZYELDW-MRXNPFEDSA-N 377.506 3.973 0 40 GHAB COC(=O)[C@@]1(Cc2ccccc2F)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186315 IHTDYAZQAUYTQQ-KKLQWCBXSA-N 381.447 3.534 0 40 GHAB CCOC(=O)c1cccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1C 10443010 VWPCXVRUDWRLNO-UHFFFAOYSA-N 388.423 3.924 0 40 GHAB O=S(=O)(Nc1cccc(Cl)c1)c1cnc(Cl)c(Br)c1 26531601 PEDOAGIJFCRGMR-UHFFFAOYSA-N 382.066 3.952 0 40 GHAB COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)c1 11904333 BSGYJDHPTOLTMT-UHFFFAOYSA-N 395.440 3.710 0 40 GHAB Cc1cc(OCC(=O)NCc2nc(-c3cccs3)no2)cc(C)c1Cl 24577119 OPRPEIXWUPKLQG-UHFFFAOYSA-N 377.853 3.764 0 40 GHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(c2ccccc2F)CC1 2774231 BWCWNDUUQZYMOS-HNNXBMFYSA-N 376.859 3.904 0 40 GHAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)C[C@H](C)O1 12988720 ZDGBLDVAHDBIDM-QWRGUYRKSA-N 383.876 3.797 0 40 GHAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(-c2ccccc2)c2ccccc2n1 12910074 GJQRFWFMAYQVSE-QFIPXVFZSA-N 394.478 3.709 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 12927738 CFPZJTBFCFDXCE-HNNXBMFYSA-N 376.909 3.613 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](NCc2nnc3ccccn23)c2ccccc2)c1 12993673 RPWMEUONKVHCPW-QFIPXVFZSA-N 385.471 3.816 0 40 GHAB COc1ccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c(F)c1 13002252 XDIVUUXXJXAAPB-UHFFFAOYSA-N 385.435 3.847 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccccc3Br)cc2c1 13778171 OQMSMGKENAYDCD-UHFFFAOYSA-N 385.261 3.871 0 40 GHAB CCOc1cccc(CN2Cc3cc(Br)ccc3OCC2=O)c1 65184424 WSFSEVZPWPLXOX-UHFFFAOYSA-N 376.250 3.769 0 40 GHAB O=C(N[C@@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 19799972 WNICOZKZQYTYHJ-DGCLKSJQSA-N 386.106 3.535 0 40 GHAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)Cc2n[nH]c3ccccc23)C1 65503651 IUOSUXBSMXDWPO-QGZVFWFLSA-N 376.504 3.654 0 40 GHAB CC(C)CN(C(=O)/C=C/c1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 14198041 ZKBXALVWOYCVGQ-VFQAQYNWSA-N 390.332 3.678 0 40 GHAB C[C@H](NCc1ccccc1CN1CCCCC1)C(=O)N1CCc2ccccc21 14183610 XKTGELOMLAYMIQ-IBGZPJMESA-N 377.532 3.740 0 40 GHAB CCCC(=O)OCC(=O)Nc1scc(-c2cccs2)c1C(=O)OCC 6543429 ZTRCRXZFDXFTLB-UHFFFAOYSA-N 381.475 3.935 0 40 GHAB COc1cc(NC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)cc(OC)c1 6660295 MUQRDEBMVGRWFK-UHFFFAOYSA-N 397.427 3.704 0 40 GHAB Cc1sc2ncn(CCC(=O)N[C@H]3CCSc4ccccc43)c(=O)c2c1C 14857360 MIYONPHUHALGCK-HNNXBMFYSA-N 399.541 3.818 0 40 GHAB O=C(OCc1coc(-c2ccccc2)n1)c1ccc(S(=O)(=O)C(F)F)cc1 15126562 ACEZVTKGSUYCFY-UHFFFAOYSA-N 393.367 3.695 0 40 GHAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2c(C)cc(C)cc2C)cc1 67198562 BIXFNWQDMJWCID-UHFFFAOYSA-N 391.471 3.791 0 40 GHAB CCOc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1Cl 67206093 MHMKGKZRJCYOCG-UHFFFAOYSA-N 376.859 3.883 0 40 GHAB Cc1cc2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c2[nH]1 67236612 UMIOQWHQWTVCMC-UHFFFAOYSA-N 396.516 3.563 0 40 GHAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 7051230 KWQZUTMGVFXBJV-UHFFFAOYSA-N 390.505 3.997 0 40 GHAB CN1CCN(Cc2c(NC(=O)c3ccc(F)cc3)sc3c2CCCC3)CC1 19882310 FDYKZYSCFUVPRI-UHFFFAOYSA-N 387.524 3.766 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)SCc2cc(=O)n3c(C)csc3n2)cc1F 15493523 KRTJUYMVAZPQTL-GFCCVEGCSA-N 391.493 3.772 0 40 GHAB Nc1nc(CSc2ccc3c(c2)OCCCO3)nc(Nc2ccccc2)n1 7372292 CSLOEFHQRKAMLG-UHFFFAOYSA-N 381.461 3.651 0 40 GHAB CC1=NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3)ccc2N1CC(C)C 15867688 YTOGDSBXFYQAJD-UHFFFAOYSA-N 385.489 3.830 0 40 GHAB CS(=O)(=O)c1cccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c1 7945398 MXVIVYDCWOJGOC-UHFFFAOYSA-N 381.453 3.845 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc([C@H]2C[C@H]2C)o1 16433771 QDKPCAIIKIDNMD-VYDXJSESSA-N 381.476 3.599 0 40 GHAB Cc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 8132994 WHWUFVBPQKRUQD-HNNXBMFYSA-N 388.272 3.796 0 40 GHAB CCN(Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 8214201 JSHGDJKTWCCBOS-CQSZACIVSA-N 387.455 3.642 0 40 GHAB CCOCc1c(C(=O)Nc2ccccc2N2CCN(C)CC2)oc2ccccc12 8341280 RXNPHQSMDJVSNR-UHFFFAOYSA-N 393.487 3.973 0 40 GHAB O=C(c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N1CCCCCC1 17321152 BLDAMQDRUSLFIJ-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB COc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc(Cl)c1OC 9678832 VILBIVWWWLCXLH-UHFFFAOYSA-N 399.838 3.598 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)/C=C/c1ccc(C(=O)OC)cc1 20013745 AZJQJKUTZQHLGH-UKTHLTGXSA-N 383.444 3.552 0 40 GHAB COc1cccc2sc(NC(=O)c3noc(-c4cc(F)ccc4F)n3)nc12 83976036 ZXCHDELPHQJITD-UHFFFAOYSA-N 388.355 3.885 0 40 GHAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1)c1ccccc1 95998701 NGQUMDCEHLHVRY-QGZVFWFLSA-N 392.434 3.821 0 40 GHAB Cc1cccc(C(=O)N2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)c1 306143756 YLKPJKBAHAGJIJ-DEOSSOPVSA-N 384.483 3.589 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc2c(c1)OCO2 408729509 BVRXUUOQZHLQQP-LJQANCHMSA-N 380.400 3.523 0 40 GHAB Cc1cc(=NC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)[nH]n1CC(F)(F)F 557147312 PALMXIFKPBWWNT-HIFRSBDPSA-N 384.377 3.773 0 40 GHAB COC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)c1 216238085 WDIHTSKUXSPSCL-GFCCVEGCSA-N 375.446 3.610 0 40 GHAB COC(=O)C[C@@H](CC(C)C)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O 524730166 YCGOAOCXCPLQEY-GOSISDBHSA-N 399.487 3.597 0 40 GHAB biogenic CCO[C@@H](C)CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 72344731 IXKNIAVTYVNYBN-SFHVURJKSA-N 382.504 3.629 0 40 GHAB O=S(=O)(NCc1cccnc1Oc1cccc(F)c1)c1cccc(F)c1 32437739 GQHRIYIOJNVMCZ-UHFFFAOYSA-N 376.384 3.631 0 40 GHAB CCOc1cccc2sc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)nc12 35316748 WPIWDBJFIUQBMI-CQSZACIVSA-N 395.484 3.995 0 40 GHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc2c(s1)CCCC2 32999513 JLKFHAZQVNXPLV-UHFFFAOYSA-N 399.516 3.686 0 40 GHAB C[C@H](NC(=O)N1CC[C@H](N2CCCC2=O)C1)C(c1ccccc1)c1ccccc1 558726621 WMVIYZAWNRHHQY-RXVVDRJESA-N 391.515 3.613 0 40 GHAB CCOc1ccc2nc3c(cc2c1)CN(Cc1ccc2c(c1)OCO2)C(=O)O3 72396349 RZXSRQLFRHSHEC-UHFFFAOYSA-N 378.384 3.877 0 40 GHAB C[C@@H]1CN(Cc2ccc(Cn3c(=S)[nH]c4ccccc4c3=O)cc2)C[C@@H](C)O1 32831165 CZELOAXRGWFFPW-HZPDHXFCSA-N 395.528 3.717 0 40 GHAB CC(C)c1ccc(NC(=O)[C@H](C)N2CCN(CCc3ccccc3)CC2)cc1 32853370 AIVKXYAKLVOCGS-FQEVSTJZSA-N 379.548 3.997 0 40 GHAB Oc1c(Br)cc(I)cc1Br 34653855 VLHRYVNEXNNKNZ-UHFFFAOYSA-N 377.801 3.522 0 40 GHAB CCS(=O)(=O)c1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1 40132344 KQMIGHIGJRFBMA-UHFFFAOYSA-N 386.242 3.634 0 40 GHAB Cc1cccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224513507 ZKAAXJBMOKEJLP-FQEVSTJZSA-N 396.531 3.606 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)cc1 223059851 CODVLDMVDAOGMF-LJQANCHMSA-N 388.895 3.581 0 40 GHAB O=S(=O)(Cc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 223618790 BQVGJUWJDXRCMI-UHFFFAOYSA-N 383.857 3.940 0 40 GHAB Cc1ccc2oc(=O)c(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2c1 226037760 ZDUQVMBLCKDTRH-UHFFFAOYSA-N 376.456 3.681 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c(C)c1 225869683 UJSORSRQRBSHGM-UHFFFAOYSA-N 385.869 3.783 0 40 GHAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CCCC1 48345140 YQMYKQWPILYEHY-MXMFLMJRSA-N 388.817 3.936 0 40 GHAB Cc1nn(C)c2ncc(S(=O)(=O)N(c3ccsc3)C3CCCCC3)cc12 577765292 WIHWURATULSAMR-UHFFFAOYSA-N 390.534 3.866 0 40 GHAB COC(=O)c1cc(F)ccc1S(=O)(=O)N(C)[C@H](C)c1ccc(C)cc1C 535355809 XEJILXRJWQPSBV-CQSZACIVSA-N 379.453 3.611 0 40 GHAB Cc1ccc2c(-c3cc4c(CN(C)CCO)cnc(C)c4o3)cc(=O)oc2c1 95473255 JQIGICZLHLKLQC-UHFFFAOYSA-N 378.428 3.642 0 40 GHAB Cc1nc(-c2ccccc2)nc2c1COC[C@]21CCN(C(=O)Cc2ccccc2)C1 96244658 JZBBEHLLBYBTIK-RUZDIDTESA-N 399.494 3.695 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)cc1F 96225202 UYDVRMGPSPPCOW-QFIPXVFZSA-N 395.434 3.524 0 40 GHAB CC(C)c1nc(C[S@](=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cs1 95963190 SFQOFZMGDFIHMZ-HSZRJFAPSA-N 397.465 3.868 0 40 GHAB COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)NCc1cccnc1C 528952585 JIRNHMKQPRYZOF-UHFFFAOYSA-N 396.491 3.737 0 40 GHAB CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 528984953 ZETFYJBJRUUYNY-BYKKXRHASA-N 398.528 3.825 0 40 GHAB Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CN(Cc3ncc[nH]3)CCO2)n1 257303671 SIENMNKLLGTTCR-HXUWFJFHSA-N 382.895 3.931 0 40 GHAB COCCC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257295536 QYSVWIVNRBCAJQ-QFBILLFUSA-N 379.884 3.598 0 40 GHAB CCc1nnsc1C(=O)N1CCC(c2ccnc(-c3c(C)noc3C)c2)CC1 257261412 LHEFIWXCXWLQCV-UHFFFAOYSA-N 397.504 3.787 0 40 GHAB Cc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccccc2)cc1C 260900013 ROHISNMXAJCVAF-GOSISDBHSA-N 388.533 3.659 0 40 GHAB CN(C)CCOc1ccc(CNc2ccc(-n3nnc4ccccc43)cc2)cc1 1203770722 HOYXLZYLAUVWPR-UHFFFAOYSA-N 387.487 3.973 0 40 GHAB Cc1csc(Nc2cc(C3CN(C(=O)/C=C/c4ccccc4)C3)nc(C)n2)n1 585292485 NLJREZSEPNTKCZ-CMDGGOBGSA-N 391.500 3.933 0 40 GHAB Cc1nn(C)cc1-c1ccc2c(c1)C1(CCOCC1)CN2C(=O)CC(F)(F)F 585105747 IACLXECJQXUVTC-UHFFFAOYSA-N 393.409 3.743 0 40 GHAB CN(C)CC(C)(C)CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 49946451 KYYGUIIOJINMGD-UHFFFAOYSA-N 393.940 3.971 0 40 GHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 40108054 LRUVOCDKTKKQFV-ZFWWWQNUSA-N 389.521 3.752 0 40 GHAB O=C(Nc1ccc2oc(C3CC3)nc2c1)C(=O)N[C@H](c1ccccc1)C1CC1 41217476 XJEYQLQEDKNCGX-LJQANCHMSA-N 375.428 3.911 0 40 GHAB O=C(C[C@@H](NCCc1ccccc1)C(=O)O)Nc1cccc(Cl)c1Cl 5872224 GFULNRADMVOYRC-OAHLLOKOSA-N 381.259 3.608 0 40 GHAB CC[C@H](CN1CCCCC1)NC(=O)Cc1c(C)nn(-c2ccccc2C)c1C 12239792 WJFJNHZZGQCDPL-HXUWFJFHSA-N 382.552 3.721 0 40 GHAB CCc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cccnc4)ncc32)on1 12276664 SKBGWSUGNMQEPV-QGZVFWFLSA-N 377.448 3.533 0 40 GHAB COc1ccc(-c2nnc3n(-c4ccccc4OC)c(=O)c4ccccc4n23)cc1 12861964 DXLQYFGFHCXTHB-UHFFFAOYSA-N 398.422 3.718 0 40 GHAB Cc1nc(NC(=O)COc2ccc(Cl)cc2Cl)nc2c1C(=O)C[C@H](C)C2 13636174 FZLJHPKRQYOWIB-SECBINFHSA-N 394.258 3.874 0 40 GHAB Cc1ccc(OCC(=O)N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)F)cc1C 16312570 GIOFYWCCZGWBKN-LJQANCHMSA-N 392.377 3.570 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)NCCCCCCNC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 19075024 ZGNMFAMKAOVBEO-WTGUMLROSA-N 394.604 3.922 0 40 GHAB Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)C3CCCC3)CCNC2=O)cc1 19212837 NRELDPBMKDURQW-QFIPXVFZSA-N 390.527 3.969 0 40 GHAB O=c1cc(-c2nccs2)nc(C2CCN(Cc3ccccc3Cl)CC2)[nH]1 19348913 OMULWLZTYSTRBX-UHFFFAOYSA-N 386.908 3.926 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2COc3c(cccc3OC)C2)c(OC)c1 19552096 MXTKRHCOKICTGL-APWZRJJASA-N 397.471 3.627 0 40 GHAB Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H](COc3ccccc3F)C2)c(C)c1C 19556719 KDMJWJZFLWJHOJ-HNAYVOBHSA-N 387.499 3.901 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)cc1C 19571121 RBRAPXOHXLXXGI-LJQANCHMSA-N 376.460 3.695 0 40 GHAB CN1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1cc(C2CC2)[nH]n1 19712897 HYHYFPVPTVEVHA-PTUXOGIPSA-N 392.547 3.987 0 40 GHAB CCOc1ccc([C@H]2CCCN2C(=O)c2sc3nc[nH]c(=O)c3c2C)cc1 19717828 ABUOWHUNRIQVQP-OAHLLOKOSA-N 383.473 3.669 0 40 GHAB O=C(/C=C/c1ccc(OC(F)F)cc1)OCC(=O)N1CCCc2ccccc21 3303482 GMTBGGSMKCNNIP-FMIVXFBMSA-N 387.382 3.824 0 40 GHAB CCOc1ccc(-c2cs/c(=N\c3ccccc3)n2N2CCN(C)CC2)cc1 8048421 CEADAUOJICQDJJ-FCQUAONHSA-N 394.544 3.731 0 40 GHAB COc1cccc(CC(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)c1 19586658 PCMMYLZEKBZQFS-UHFFFAOYSA-N 394.515 3.560 0 40 GHAB CC(C)c1snnc1C(=O)NC1CC2(CCN(CCc3ccccc3)CC2)C1 1565541603 FTVYLTPZJOLOKR-UHFFFAOYSA-N 398.576 3.879 0 40 GHAB O=C(Oc1coc(CSc2ncccn2)cc1=O)c1cc2ccccc2o1 4377377 GOGBAFNEOLGWOU-UHFFFAOYSA-N 380.381 3.688 0 40 GHAB O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Cl)cc1 5259354 NUOJULVUKRBADI-UHFFFAOYSA-N 394.862 3.886 0 40 GHAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc3ccccc3c2)n1 7420318 MQUGQWJFYRJXQO-UHFFFAOYSA-N 387.443 3.622 0 40 GHAB CCn1cc(C(=O)Nc2ccc(C)c(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1 9661469 KWEQOYVCNJYEON-UHFFFAOYSA-N 390.418 3.859 0 40 GHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1c(F)cccc1F 11694370 NDWYIRCGIOMSNU-UHFFFAOYSA-N 375.350 3.618 0 40 GHAB COc1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4F)c3)cn2n1 11693409 LLSHOUAKLFWVOY-UHFFFAOYSA-N 380.354 3.935 0 40 GHAB COc1ccc(C)c2sc(N(CCCN(C)C)C(=O)c3cc(C)on3)nc12 12229575 NRXLBZQWGWICBE-UHFFFAOYSA-N 388.493 3.508 0 40 GHAB Cc1ccc(C(=O)N2CC[C@@H](C(=O)NC3CCCC3)c3nc(C)sc3C2)o1 2055729841 SZJBMUYMINHQNK-OAHLLOKOSA-N 387.505 3.541 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)N1CCS[C@H](c2ccccc2F)CC1 219145229 YYBLINGVSZSDDZ-IBGZPJMESA-N 388.464 3.944 0 40 GHAB COc1ccc(OC)c(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2C)c1 7615905 YEQYQTLDPWAMAM-UHFFFAOYSA-N 397.822 3.963 0 40 GHAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242655 GHWVEILZEDJUPF-LRSLUSHPSA-N 389.503 3.512 0 40 GHAB CC1=NC2=NC(NCCc3c[nH]c4ccccc34)=N[C@@H](c3ccccc3)N2C(O)=C1 20028283 BZWSGVVAUMSMDL-OAQYLSRUSA-N 398.470 3.900 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2Cl)CC1 20102725 CMAJFWCFJYDTMQ-UHFFFAOYSA-N 386.879 3.597 0 40 GHAB CCOC(=O)[C@H](NC(=O)c1ccccc1)c1nnc(Nc2ccc(C)cc2)s1 32593938 NMYIPUSQKULGRA-MRXNPFEDSA-N 396.472 3.624 0 40 GHAB CNC(=O)NC(=O)CCSc1cc(-c2ccccc2)c2ccc(OC)cc2n1 32754374 DVRNVZBINZUVGE-UHFFFAOYSA-N 395.484 3.848 0 40 GHAB O=C(NCCNc1cnccn1)c1ccc(COc2ccc3ccccc3c2)o1 32818954 XFCFZOFXMBAQBN-UHFFFAOYSA-N 388.427 3.644 0 40 GHAB CC(=O)N1CCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1 32980231 OUQLLNGFCBUWPD-UHFFFAOYSA-N 391.393 3.753 0 40 GHAB Cc1ccccc1[C@H](Sc1nnc(N2CCOCC2)n1C)c1ccccc1 33038337 KPYXAQMXVRXKLI-LJQANCHMSA-N 380.517 3.842 0 40 GHAB O=C(O[C@@H]1Oc2ccccc2O[C@H]1OC(=O)c1ccccc1)c1ccccc1 676038 IBCQZWLWJZCBGF-VXKWHMMOSA-N 376.364 3.824 0 40 GHAB COC(=O)c1c(NC(=O)c2cccc(OC)c2OC)sc2c1CC[C@H](C)C2 651913 KZUJSPAWECAZON-NSHDSACASA-N 389.473 3.929 0 40 GHAB O=C1N[C@H](c2ccc3c(c2)OCO3)Nc2c1sc(=S)n2-c1ccccc1 662892 PYGYRCRFHULZSR-OAHLLOKOSA-N 383.454 3.851 0 40 GHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1 679560 CXQUAVBVVIBCSM-UHFFFAOYSA-N 378.295 3.842 0 40 GHAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1cccc(Br)c1 819051 NTIKWEMNMJCFEY-NWDGAFQWSA-N 388.283 3.885 0 40 GHAB Cc1cccc(NC(=S)N(CCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 884850 RDNQNKSMLMACDO-UHFFFAOYSA-N 395.528 3.645 0 40 GHAB CCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccnc1 1361272 PKEIGIJJIJVGIZ-UHFFFAOYSA-N 393.516 3.822 0 40 GHAB O=C(N1CCC(CCN2CCCC2)CC1)C(O)(c1ccccc1)c1ccccc1 1759876 BPJINWDVHHFZOX-UHFFFAOYSA-N 392.543 3.647 0 40 GHAB COC(=O)c1ccc2[nH]/c(=N/C(=O)c3cccc(Br)c3)sc2c1 1782922 VZMNZJZXVMXUKN-UHFFFAOYSA-N 391.246 3.520 0 40 GHAB COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(SC)cc1 2440009 BERBDWWTPWFVRZ-GOSISDBHSA-N 399.443 3.846 0 40 GHAB O=C(OCc1nc2ccccc2[n+]([O-])c1C(=O)c1ccccc1)c1cccs1 2453529 LIUBAVMJGQQBHF-UHFFFAOYSA-N 390.420 3.518 0 40 GHAB Clc1ccccc1OCc1nc2c3cnn(-c4ccccc4)c3ncn2n1 2789970 DHQYHHHJYBYSLH-UHFFFAOYSA-N 376.807 3.696 0 40 GHAB CCOC(=O)C1=C(C(F)(F)F)NC(=S)N[C@H]1c1ccc(C(F)(F)F)cc1 3196917 JFZZPGNBFIANLE-JTQLQIEISA-N 398.328 3.604 0 40 GHAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1 3294039 KFQZMKTXWMDCGV-UHFFFAOYSA-N 398.390 3.805 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(SC)c2)cc1 3548827 LMXOQPDWXNRAQI-UHFFFAOYSA-N 378.519 3.691 0 40 GHAB O=C(N[C@@H]1CON=C1Br)OCC1c2ccccc2-c2ccccc21 4165227 DALYJQZODHVOCX-MRXNPFEDSA-N 387.233 3.632 0 40 GHAB CCc1ccccc1NC(=O)c1c[nH]c2c(c(C)nn2-c2ccc(F)cc2)c1=O 4316382 JSIDRSFIDUSQJW-UHFFFAOYSA-N 390.418 3.976 0 40 GHAB COc1ccc(C(=O)N2CCN(c3nc4c(C)c(C)ccc4s3)CC2)cc1 4585338 QFWIVBVPWCLRRU-UHFFFAOYSA-N 381.501 3.884 0 40 GHAB Cc1nc(SCC(=O)N[C@@H](C)c2ccccc2)[nH]c1Cc1ccc(O)cc1 4626016 WJLQUTAGWFXHCA-AWEZNQCLSA-N 381.501 3.984 0 40 GHAB COc1ccc2c(C)c(CCC(=O)NCCc3ccccc3F)c(=O)oc2c1 4743685 KPRUTIXSFMYDAU-UHFFFAOYSA-N 383.419 3.541 0 40 GHAB CCOC(=O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)ccc1Cl 4872362 XEDHQPKGHYCFHA-VUWOVVPOSA-N 385.847 3.775 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)c3cc(C)ccc3C)n2)cc1OC 4943876 INIJMNIUAOZIIG-UHFFFAOYSA-N 381.432 3.643 0 40 GHAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 4971418 BKXZNHFOQGBZFR-UHFFFAOYSA-N 390.892 3.748 0 40 GHAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cccc3ccccc23)C1=O 5077109 RRCIKMCAHBHTHJ-QHCPKHFHSA-N 388.423 3.578 0 40 GHAB O=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 5111826 CRFMOVMHFOWBGE-UHFFFAOYSA-N 394.446 3.783 0 40 GHAB CCOc1cc(C(=O)OCC(=O)c2ccc(Br)cc2)ccc1OC 5213313 CMMWPRIBNHGQPC-UHFFFAOYSA-N 393.233 3.896 0 40 GHAB CCCCc1nc2sc3c(SC[C@@H](O)CO)ncnc3c2c2c1CCC2 5245102 SDHBFYZBSQRSFN-NSHDSACASA-N 389.546 3.516 0 40 GHAB CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3ccncc3)ccc12 5302258 JEUSMQIIKPELHL-OAHLLOKOSA-N 380.444 3.614 0 40 GHAB C[C@H]1CCc2c(sc3ncn(CC(=O)N4c5ccccc5C[C@H]4C)c(=O)c23)C1 5318881 AARLXQNDNHZMEJ-UONOGXRCSA-N 393.512 3.561 0 40 GHAB Cc1sc2ncn(CC(=O)N3CC[C@H](C)Sc4ccccc43)c(=O)c2c1C 5319499 HHZBCOVNLZDPTN-LBPRGKRZSA-N 399.541 3.992 0 40 GHAB CCc1ccc(NC(=O)COc2cccc(I)c2)cc1 5452853 FPIHTAWOWWNIAD-UHFFFAOYSA-N 381.213 3.871 0 40 GHAB COc1ccc([C@H]2CC(=O)c3cnc(NCc4ccco4)nc3C2)c(OC)c1 5575346 VWNFYKMEXTUOQE-CYBMUJFWSA-N 379.416 3.612 0 40 GHAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1ccc2c(c1)CCCC2 5679598 TYLSUPCHSVEGGN-QFIPXVFZSA-N 394.496 3.593 0 40 GHAB CC(C)CN1CC(=O)N2[C@@H](c3ccccc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 5843233 XENJKSRIIWALAV-OFNKIYASSA-N 387.483 3.509 0 40 GHAB biogenic COc1ccc([C@@H](CNC(=O)CSc2ccccc2Cl)N(C)C)cc1 5938356 XJZINMGVOHDPIE-QGZVFWFLSA-N 378.925 3.860 0 40 GHAB O=C(COC(=O)CCc1nc2ccccc2s1)N[C@H]1CCCc2ccccc21 5995197 PBNKZRBFPWTKJH-KRWDZBQOSA-N 394.496 3.966 0 40 GHAB CCCn1c(C)cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c1C 6362439 IKJRFLTWFQWZBL-UHFFFAOYSA-N 382.460 3.681 0 40 GHAB Cc1nc2ccc(NC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)cc2s1 6543511 ZJPJTWWSCHAYSC-INIZCTEOSA-N 379.485 3.634 0 40 GHAB Nc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1-c1ccccc1 7097840 OZYROKRTEXUJBF-UHFFFAOYSA-N 393.394 3.599 0 40 GHAB Cc1cccc(N2CCN(C(=O)CN3CCC[C@H]3c3cccs3)CC2)c1C 7216267 PPXKRHIZUYVLCO-FQEVSTJZSA-N 383.561 3.851 0 40 GHAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(NC(C)=O)c1 7610234 NESUJIJXTSAGIJ-UHFFFAOYSA-N 380.473 3.898 0 40 GHAB CCc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3O)C(C(=O)OC)=C2C)cc1 8085660 DFKFQPQZDVGEID-AQTBWJFISA-N 393.439 3.840 0 40 GHAB Brc1cc2c(cc1CSc1nnnn1C1CCCC1)OCCO2 8391624 QHHCJZQMIYRBHZ-UHFFFAOYSA-N 397.298 3.614 0 40 GHAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1F)N(CCN(C)C)C3=O 8549488 SDFGPTLJNGWSLK-FQEVSTJZSA-N 394.446 3.656 0 40 GHAB COc1cc(OC)c(OC)cc1CNCc1c(C)nn(CC(C)C)c1Cl 8750702 UUEVVNLESQPPLO-UHFFFAOYSA-N 381.904 3.817 0 40 GHAB COc1ccc(-c2coc3cc(OC(=O)N(C)C)cc(OC)c3c2=O)cc1OC 8764668 OWXYPGJFJBWKBX-UHFFFAOYSA-N 399.399 3.546 0 40 GHAB biogenic CCN([C@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)s1 9584126 KGVHURGNJOTMEY-GFCCVEGCSA-N 386.926 3.748 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 9861698 UYCXUOYIONWLAC-GOSISDBHSA-N 381.881 3.787 0 40 GHAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3cccc(C(F)(F)F)c3)oc(C)c12 11291738 QIYZXXNVPAYOLT-UHFFFAOYSA-N 397.378 3.883 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 11612524 PBBGLBQILPFKHE-KRWDZBQOSA-N 392.908 3.912 0 40 GHAB Cc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3ccccn3)CC2)o1 12089658 PRQIVVYQZNKFFA-QFIPXVFZSA-N 381.451 3.526 0 40 GHAB Cc1cc2nc(C3CCN(Cc4[nH]c5ccc(F)cc5c4C)CC3)cc(N)n2n1 12121569 QFORPKKLAJNVDT-UHFFFAOYSA-N 392.482 3.928 0 40 GHAB COc1cccc(OC)c1CN1CCCC[C@@H]1c1cc2nc(C)c(C)c(O)n2n1 12160957 OFHQRPDSZIUOMV-GOSISDBHSA-N 396.491 3.796 0 40 GHAB CCc1c(C)noc1-c1snnc1C1CCN(Cc2cnc(C)nc2)CC1 12224200 ONEUVHLUYNHVOZ-UHFFFAOYSA-N 384.509 3.542 0 40 GHAB CCN(C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1C 12328533 HOTKLRVKWZOWKP-IBGZPJMESA-N 379.504 3.699 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)COc1cccc2ccccc12 12544186 KFYNGXXHRZBIOW-UHFFFAOYSA-N 390.483 3.714 0 40 GHAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 12588304 ILNPPEBYSRMAMG-BVKLFWKESA-N 388.460 3.976 0 40 GHAB CCCc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)cc1 12775295 IFMSRYOQLKJGMN-KRWDZBQOSA-N 380.535 3.642 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)cn1 12822637 CPASLBHZSKFESZ-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB O=C(COc1cc(Cl)ccc1Cl)Nc1cccc(C(=O)NC2CC2)c1 12878757 ZAUUWIVCHDDEOP-UHFFFAOYSA-N 379.243 3.903 0 40 GHAB CC[C@H](C)[C@@H](CO)NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O 12893533 YGKYKSVDXXOWNB-KPZWWZAWSA-N 385.460 3.612 0 40 GHAB biogenic COc1ccc(OC)c(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 12937838 UKUQGCLVLLAEPI-UHFFFAOYSA-N 377.444 3.697 0 40 GHAB C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 13001688 FOHXKFJKWXIUPD-QGZVFWFLSA-N 398.528 3.803 0 40 GHAB COc1cc(Br)c(CSC2=N[C@@H]3CCCC[C@@H]3N2)cc1OC 14244894 ICNQJRZYMQKONC-BETUJISGSA-N 385.327 3.970 0 40 GHAB COc1ccc(CC(=O)N[C@H](C)c2ccccc2Br)cc1OC 14425930 HEWIWSXBWJNFJM-GFCCVEGCSA-N 378.266 3.886 0 40 GHAB Cc1cc(Cl)ccc1NCC(=O)N(C)CC(=O)Nc1ccccc1Cl 15290385 OYEDLTKUYJWPLV-UHFFFAOYSA-N 380.275 3.811 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 15330282 DJOFEQYUUYJBEC-NSHDSACASA-N 387.379 3.532 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1F 15365266 AEZKQCZEISOEGJ-UHFFFAOYSA-N 393.871 3.545 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 16025586 GRYPOWRGNBRVGT-OAQYLSRUSA-N 389.455 3.784 0 40 GHAB biogenic O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1=Cc2ccccc2OC1 18082943 FQMBUSVCSCWQLE-UHFFFAOYSA-N 392.436 3.996 0 40 GHAB Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)CC(C)C)CCNC2=O)cc1 19212838 OIBMJROAGMJZOP-NRFANRHFSA-N 378.516 3.825 0 40 GHAB c1csc([C@@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)nc2)n1 19341925 AXXVFLIJIGTTHU-QGZVFWFLSA-N 386.546 3.510 0 40 GHAB CCn1c(CNC(=O)c2cc(CN3CCCCC3)c(C)o2)nc2ccccc21 19524359 SIMXQOLCJIBCHG-UHFFFAOYSA-N 380.492 3.874 0 40 GHAB Cc1noc(C)c1Cc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCC2)o1 19581038 ORXWJTBGOHDOEM-SFHVURJKSA-N 385.508 3.956 0 40 GHAB Cc1cccn2cc(C(=O)Nc3nnc([C@H](C)Oc4ccccc4)s3)nc12 19718808 FAHCMZVNDQPEQI-ZDUSSCGKSA-N 379.445 3.887 0 40 GHAB O=C(NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl)c1cccs1 20152340 DRCQZNOJZPPYHB-UHFFFAOYSA-N 375.258 3.880 0 40 GHAB O=C(Cc1csc(N2CCCC2=O)n1)NCCC12CC3CC(CC(C3)C1)C2 20915061 LHLBRMLRGXPMQC-UHFFFAOYSA-N 387.549 3.535 0 40 GHAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(SC(F)F)cc1 21822157 POJCLBOPPGHPCA-UHFFFAOYSA-N 391.487 3.758 0 40 GHAB C[C@H](O)CNCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 22075800 UCWZKVMMNZEHNW-AWEZNQCLSA-N 383.319 3.632 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(Cl)ccn3)n2)cc1 22585610 OVSYYRXPNWLGRE-UHFFFAOYSA-N 386.864 3.747 0 40 GHAB O=C(NCCCN1CCCC1=O)c1ccccc1OCc1ccc(Cl)cc1 22625999 FWDVRUDPXUVUPN-UHFFFAOYSA-N 386.879 3.661 0 40 GHAB O=C(c1ccco1)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1 22998256 DUDLNKCROZQCEU-UHFFFAOYSA-N 391.880 3.522 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 23122161 FMPVSSMGKWKZIK-UHFFFAOYSA-N 388.471 3.769 0 40 GHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1csc(-c2ccsc2)n1 23805875 RFEZGYFNWXGPMQ-UHFFFAOYSA-N 391.562 3.637 0 40 GHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C1=Cc2ccccc2O[C@@H]1C 24334626 FTCWLQCZTIZUKV-OAHLLOKOSA-N 397.471 3.745 0 40 GHAB COc1cc(/C=C/C(=O)NCc2ccc(NC(C)=O)cc2)ccc1OC(F)F 25057130 KOUCWNNBCRJKOE-UXBLZVDNSA-N 390.386 3.585 0 40 GHAB CCCOc1ccc(N2C(=O)C[C@H](N(Cc3ccc(F)cc3)C3CC3)C2=O)cc1 25059195 YVAHNBJDCHFUQC-NRFANRHFSA-N 396.462 3.911 0 40 GHAB CCOc1ccc([C@@H](O)CCN[C@@H](CC(=O)O)Cc2c[nH]c3ccccc23)cc1 27517063 PWGVXUZCZYESMS-GCJKJVERSA-N 396.487 3.666 0 40 GHAB COCc1c(C(=O)OCc2nnc(-c3ccc(OC)cc3)o2)oc2ccccc12 29589288 QRYDAAXPRKLIIA-UHFFFAOYSA-N 394.383 3.995 0 40 GHAB CC(=O)N1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 30830853 HDGCGMWHXJRXOK-UHFFFAOYSA-N 391.515 3.806 0 40 GHAB O=C(Cc1csc(Cc2ccccc2)n1)N1CCO[C@@H](c2ccccc2)C1 30860754 MEOFFGOMSFPVAG-HXUWFJFHSA-N 378.497 3.877 0 40 GHAB Cc1ccc(-c2cnn([C@H](C)C(=O)Nc3cccc4ccccc34)c(=O)n2)cc1 33324615 USPXXYWAYPDKPY-MRXNPFEDSA-N 384.439 3.967 0 40 GHAB Cc1cc2nc(C3CCN(CC(=O)NCc4ccccc4)CC3)[nH]c2cc1C 35292233 MQXKGHNXVPQWKS-UHFFFAOYSA-N 376.504 3.676 0 40 GHAB COc1ccc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cc1 38903519 GDSRULPNMCYFSK-UHFFFAOYSA-N 381.407 3.904 0 40 GHAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1SC[C@@H]1CCCO1 39982783 IICPPWNVKSXDMZ-KRWDZBQOSA-N 399.512 3.701 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 40152404 LZUOIAXXLLWUEP-IFXJQAMLSA-N 376.497 3.734 0 40 GHAB COc1ccccc1-c1c2c(=O)n([C@H]3CCCC[C@@H]3C)ccc2nc2ncnn12 40398147 GLGALRXNRVUWDP-YOEHRIQHSA-N 389.459 3.866 0 40 GHAB CCOc1ccc(-c2ccc(=O)n(CCC(=O)NC3CCCCCC3)n2)cc1 41254337 UBUDKIPWVOUILB-UHFFFAOYSA-N 383.492 3.538 0 40 GHAB Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1cccc(F)c1)C3 49003197 WAFHDFBDFDACNM-UHFFFAOYSA-N 399.853 3.626 0 40 GHAB COc1ccc([C@@H]2CC(=O)Nc3c2cnn3C(C)(C)C)cc1CN1CCCC1 49544898 LJBHLMOKOMSDIP-KRWDZBQOSA-N 382.508 3.717 0 40 GHAB O=S1(=O)CC[C@H](NCc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 52915949 OGMHOYOZPJWRIX-HNNXBMFYSA-N 385.407 3.774 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2ccccc2C)c(Nc2ccc(F)c(C)c2)n1 57507670 XRLFMMOHPSQLFK-UHFFFAOYSA-N 380.423 3.690 0 40 GHAB COc1ccc(C)cc1C(=O)CSc1nnc(Cc2csc(C)n2)o1 58184549 OQSSVWZTPLVVHN-UHFFFAOYSA-N 375.475 3.717 0 40 GHAB CC(=O)N(C)c1ccc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc1 58195634 AXXKPLXSASNIDK-UHFFFAOYSA-N 376.460 3.653 0 40 GHAB Cc1n[nH]c2ncc(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)cc12 58209446 UZVNOSNLUARWAD-UHFFFAOYSA-N 377.429 3.832 0 40 GHAB Cc1nc(C2(NC(=O)CCC(=O)c3ccc(F)cc3F)CCCCC2)no1 58214245 HQCCFHWFQAFOQA-UHFFFAOYSA-N 377.391 3.595 0 40 GHAB CN(Cc1ccccc1)Cc1cc(CC2(NCc3ccccc3F)COC2)no1 67898112 XCUHTXVSDROBMW-UHFFFAOYSA-N 395.478 3.547 0 40 GHAB biogenic,in-vitro O=C(NC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)c1ccncc1 72346372 ISIWPSZKHQIXLE-UHFFFAOYSA-N 382.464 3.743 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)c2cccnc2)n1 72376939 LHKZZCPNPXPUBR-GOSISDBHSA-N 377.423 3.627 0 40 GHAB Cc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)C[C@@H]2C=CCC2)cn1 72389849 LAEUDUOZJWVDBR-GOSISDBHSA-N 387.487 3.788 0 40 GHAB Cc1cc(C)cc(-n2ccn(Cc3nc(-c4ccccc4)oc3C)c(=O)c2=O)c1 73681596 CJKVAZJZPHGPIH-UHFFFAOYSA-N 387.439 3.628 0 40 GHAB C[C@@H](CC(=O)c1ccccc1)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 89894689 GCFPBRPAXQTJMH-JTQLQIEISA-N 387.288 3.515 0 40 GHAB C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1ccc(OC(F)(F)F)cc1 89904313 XZQZWDINSYZVMM-LBPRGKRZSA-N 391.349 3.996 0 40 GHAB COC(=O)[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccc(OC(F)F)cc1 95460693 XNVXLPZSUSUDEH-INIZCTEOSA-N 393.317 3.817 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)NCCc2nc(-c3ccccc3)cs2)c1C 95478193 AGOCCNVJEQPSCL-UHFFFAOYSA-N 397.500 3.904 0 40 GHAB O=C(NC1CCCC1)[C@@H]1CC2(CCN(c3cnccn3)CC2)c2ccccc21 96079358 IXGMLUNJKOZNHK-LJQANCHMSA-N 376.504 3.561 0 40 GHAB O=C(/C=C/c1ccoc1)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 96120405 SNLVBOXJQCGOKI-AATRIKPKSA-N 378.428 3.708 0 40 GHAB CC(C)Cn1c(CNC(=O)CCc2ccc3c(c2)CCO3)nc2ccccc21 96223703 MMWGCCUSVJBIIZ-UHFFFAOYSA-N 377.488 3.876 0 40 GHAB Cc1ccc(N2C[C@@]3(CCN(C(=O)c4ccc5ccccc5n4)C3)CC2=O)cc1 96238461 ZYJIQCXHLLTIDQ-DEOSSOPVSA-N 385.467 3.812 0 40 GHAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21 96242034 LPJJIHNTWJLBSE-IBGZPJMESA-N 376.500 3.826 0 40 GHAB CC(C)c1ccc(CCNC(=O)CNC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 104742884 AMQLDWFANUUESD-GIUOSPMZSA-N 385.552 3.593 0 40 GHAB Fc1ccc(-c2cnc(Nc3cccc(C[C@@H]4CNCCOC4)n3)s2)cc1 143345483 CXDRNKRXOKDJJN-CQSZACIVSA-N 384.480 3.866 0 40 GHAB COc1ccc(/C=C/C(=O)NCCOc2ccc(Cl)cc2)c(OC)c1OC 223450762 KINPXCHINLQRQQ-VZUCSPMQSA-N 391.851 3.574 0 40 GHAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1nc(-c2ccccc2)no1 223647070 GAVNPFNJMFKGLC-UHFFFAOYSA-N 398.271 3.663 0 40 GHAB Cc1cc(S(=O)(=O)NCc2ccc(C(C)C)cc2)ccc1N1CCCC1=O 223885230 MARBHUJHCWFQCM-UHFFFAOYSA-N 386.517 3.724 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(CC)cc1 224000915 OVLIHIMLIPNLNF-GOSISDBHSA-N 396.531 3.744 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1 224077594 OPHHPVLVDOLXTM-LJQANCHMSA-N 378.516 3.748 0 40 GHAB O=C1CCCN1Cc1ccc(CNC(=S)Nc2ccc(F)c(F)c2)cc1 225649281 XPVBWRPFVIZOFP-UHFFFAOYSA-N 375.444 3.574 0 40 GHAB COc1ccccc1NC(=O)CCNC(=O)c1ccc2nc(Cl)sc2c1 225979976 KJGKFBLNNJPQJM-UHFFFAOYSA-N 389.864 3.717 0 40 GHAB Cc1noc([C@@H]2CN(C(=O)[C@H](C)Oc3ccccc3F)C[C@H]2c2ccccc2)n1 238884967 PVZCVHZBUQQPHN-JCGIZDLHSA-N 395.434 3.694 0 40 GHAB CCc1ccc(OCC(=O)O)c([C@H]2C[C@@H](NC(C)=O)C[C@@H](c3ccccc3)O2)c1 257224026 DZYWDKLELAYLJT-YUXAGFNASA-N 397.471 3.810 0 40 GHAB CCCCN(Cc1ccccc1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O 257244129 IJZCDZBNCPGTEK-VXKWHMMOSA-N 382.504 3.671 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(OC(C)C)cc3)CC2=O)cc1 408708641 RVJKGQZCOLXIHP-SFHVURJKSA-N 396.487 3.542 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@@H](Oc2ccncc2Cl)C1 575610304 HSIFBBGDDDAZFL-CYBMUJFWSA-N 388.880 3.584 0 40 GHAB CCO[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1)C(C)C 626857883 PVDULWGZFWELSM-MRXNPFEDSA-N 388.493 3.787 0 40 GHAB Cc1c(C(=O)Nc2ccc3c(c2)[C@H](C)CC(=O)N3C)oc(=O)c2ccccc12 1530794843 LTMRGKTYJCLCOG-GFCCVEGCSA-N 376.412 3.824 0 40 GHAB COC(=O)c1cnc(SCC2CC2)n(-c2ccc(C(F)(F)F)cc2)c1=O 1888926466 RQPRXXGSAVSXHF-UHFFFAOYSA-N 384.379 3.540 0 40 GHAB O=C(c1ccncc1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1891393532 XNQOEXRFRSSFGW-UHFFFAOYSA-N 396.454 3.502 0 40 GHAB COC(=O)C1(Cc2cc(F)c(F)c(F)c2)CCN(C(=O)OC(C)(C)C)CC1 1857794387 VMTLTJVYEBSDGN-UHFFFAOYSA-N 387.398 3.837 0 40 GHAB COc1ccc(-n2cc(-c3ccccc3)c3c(N4CCN(C)CC4)ncnc32)cc1 2974834 BLJAHQJMTUUOLS-UHFFFAOYSA-N 399.498 3.848 0 40 GHAB Cc1cccc(C)c1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 790766 MUGPJMQQKUCSPM-LBPRGKRZSA-N 381.501 3.838 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 891417 ASHZJEHKQUVILI-UHFFFAOYSA-N 399.863 3.899 0 40 GHAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1nc(Cc2ccccc2)no1 79022615 IWHGORSPTOGCDV-MJEQTWJJSA-N 383.398 3.920 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)c2C)no1 22840532 VYVSZWPSOHHKOQ-FQEVSTJZSA-N 378.476 3.519 0 40 GHAB COc1ccc2c(c1)c1cnn(Cc3cccc(Br)c3)c(=O)c1n2C 79479780 IWZJIJAYSVYYMB-UHFFFAOYSA-N 398.260 3.708 0 40 GHAB Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)[C@H]2CCCO2)cc1 4230929 FOVTZZONZPYKHR-OAQYLSRUSA-N 390.483 3.853 0 40 GHAB O=C(Oc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4544939 PFWBGXFUCLCCQU-ATNYCFDYSA-N 393.826 3.871 0 40 GHAB O=S(=O)(NCc1ccc(Cn2ccnc2)cc1)c1c(Cl)cccc1Cl 54534163 WRIQUVYGXSPFKH-UHFFFAOYSA-N 396.299 3.717 0 40 GHAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1 4858901 RNPZTLBQSNQCSY-UHFFFAOYSA-N 391.515 3.820 0 40 GHAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1Br 7882330 YDATWJJWVSEAFN-LBPRGKRZSA-N 391.240 3.888 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1 24118450 ZPTCJJOZDXKHBL-UHFFFAOYSA-N 379.287 3.960 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(C)c(C)c2)n1 8476961 CTNXEZIKNCBNHR-UHFFFAOYSA-N 378.476 3.626 0 40 GHAB CNC[C@H]1CC[C@H](c2cc(CN(C)Cc3ccc(C)cc3OC)n(C)n2)CC1 100687689 YSBQZHVVVSRYRX-KDURUIRLSA-N 384.568 3.862 0 40 GHAB COc1ccc(Nc2nnc(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)s2)cc1 3292618 CZFQXVATZIKCIL-STQMWFEESA-N 392.550 3.887 0 40 GHAB COC(=O)c1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2cnccn12 35616054 DSCIIGBLCSVDKP-UHFFFAOYSA-N 387.443 3.993 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)NCc2ccccc2)cc1 27161267 MEVIDVJPRTWNLX-NRFANRHFSA-N 395.503 3.638 0 40 GHAB CCOc1ccccc1NC(=O)[C@H](NCCCn1ccnc1)c1ccccc1 12629363 LUDZACAIWYFXJA-OAQYLSRUSA-N 378.476 3.642 0 40 GHAB CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1ccccc1F)S(C)(=O)=O 113966901 XLXSLRLRWGXFRC-KRWDZBQOSA-N 378.469 3.626 0 40 GHAB COc1ccccc1C(=O)NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl 20152540 GUQAZAOXTJRHSA-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB O=C(Cc1cccc(F)c1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 12786535 VFCGOAIMSGEZNT-UHFFFAOYSA-N 390.480 3.572 0 40 GHAB CN1CCN(C(=O)/C=C/c2ccccc2Br)[C@@H](c2ccccc2)C1 12737744 MJUOKZOJTCXIAN-TZZQJPOUSA-N 385.305 3.978 0 40 GHAB COc1ccc(-c2nc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)sc2C)cc1 12798055 LWLFWWFHZFVAHS-HNNXBMFYSA-N 399.516 3.857 0 40 GHAB CC(=O)N1CCC(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)CC1 10691318 YPVFCFYYOLHQHD-OAQYLSRUSA-N 389.499 3.675 0 40 GHAB Cc1cc(NC(=O)[C@H](C)n2nc(-c3cccs3)c3ccccc3c2=O)no1 12769264 HMZFACFEIFSROK-LBPRGKRZSA-N 380.429 3.621 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11072806 KXAUCKRPUAMKPI-OAQYLSRUSA-N 391.471 3.831 0 40 GHAB CCc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21NCCO1 22362799 VLKMYKHTGWTPPD-ZEQRLZLVSA-N 376.500 3.857 0 40 GHAB COc1ccc([C@@H](CNC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)N2CCCCC2)cc1 102971535 MNUGDEHINUOVDO-FRTACKCFSA-N 387.593 3.875 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(OC(F)(F)F)cc2)c1 3322714 FYVCRHCOBZHXSS-LBPRGKRZSA-N 395.333 3.972 0 40 GHAB COC(=O)c1sccc1NC(=O)CN(C)CC12CC3CC(CC(C3)C1)C2 11508367 IYAMEKASIWTHRH-UHFFFAOYSA-N 376.522 3.621 0 40 GHAB CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3nc(C)c(C)nc3c2)C1 107747354 ZIGHHSJQPKXTRX-INIZCTEOSA-N 399.564 3.524 0 40 GHAB C[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCc2ccccc2C1 29732042 GCPICPLBEMZIJD-ZTFGCOKTSA-N 383.458 3.854 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 10840137 RXIDSTIXRPETMG-SWLSCSKDSA-N 391.468 3.977 0 40 GHAB COc1ccccc1NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195738 OTXNFVWYFVEUJZ-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB Cc1c(CN(C)S(=O)(=O)c2ccc(F)cc2)noc1-c1ccc(F)cc1 12847756 NNMUISXWFWCMLG-UHFFFAOYSA-N 378.400 3.749 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)C1=Cc2cc(Br)ccc2OC1 12880506 QZWXIEQLKZIIPL-MRXNPFEDSA-N 386.245 3.865 0 40 GHAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(Nc3ccccc3F)s2)no1 12806912 SDHFKMSRJZHBKU-VIFPVBQESA-N 379.442 3.837 0 40 GHAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 3432839 HCQQCDBRYGOITO-MRXNPFEDSA-N 388.533 3.626 0 40 GHAB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1cccc(Oc2ccccc2)c1 3443635 JLCVXUOKORFDBM-UHFFFAOYSA-N 390.226 3.981 0 40 GHAB Cc1ccc(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)cc1F 12989595 KGJKVEWSHQNIAI-UHFFFAOYSA-N 399.491 3.870 0 40 GHAB C[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1cccc(S(N)(=O)=O)c1 12974853 WQASSWVKFYELSS-OAHLLOKOSA-N 396.468 3.617 0 40 GHAB COc1cc(-c2nnc(S)n2-c2cccc3ncccc23)cc(OC)c1OC 13552257 GIEZJFNCWIMFJQ-UHFFFAOYSA-N 394.456 3.797 0 40 GHAB CN1CCN(Cc2cccnc2)C[C@H]1c1ncn2cc(-c3ccccc3)ccc12 306144690 ZMCYIXJGSDROTE-QHCPKHFHSA-N 383.499 3.885 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 6315479 YVHQLGRNKOBLOJ-UHFFFAOYSA-N 382.489 3.781 0 40 GHAB O=C(NCCc1nnc2n1CCCCC2)c1ccc(Oc2ccccc2)cc1 14249244 FDJMLOQULBUIJZ-UHFFFAOYSA-N 376.460 3.769 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2ccc(I)cc2)c1 14492073 RJDSDICQFCOGQN-UHFFFAOYSA-N 380.185 3.502 0 40 GHAB C[C@H](NC(=O)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O)c1ccccc1 4679500 KOWUCHDHQCOKQA-MGPUTAFESA-N 394.858 3.803 0 40 GHAB Cc1cc(OCC(=O)NCCc2c[nH]c3ccccc23)c2c(C)cc(=O)oc2c1 6623765 ZDPKQLPBBMHHTO-UHFFFAOYSA-N 390.439 3.629 0 40 GHAB biogenic O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc2c(c1)OCO2 6648188 JGMARULNPWMNSH-UHFFFAOYSA-N 378.413 3.527 0 40 GHAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)c1 14898800 PSBIFJZAVBTWNG-UHFFFAOYSA-N 392.415 3.806 0 40 GHAB COc1ccccc1-n1cnnc1SCC(=O)Nc1cccc(Cl)c1C 4895099 OAHCADJVSIAEBZ-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB Cc1nc2c3ccccc3nc(SCC(=O)Nc3cccc(Cl)c3)n2n1 6918753 MKTFEIHEKUNUOS-UHFFFAOYSA-N 383.864 3.970 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)o1)NC12CC3CC(CC(C3)C1)C2 4944066 GJEAKVNWLPADDT-UHFFFAOYSA-N 383.517 3.838 0 40 GHAB Cc1cc2nc(SCC(=O)N(C)C3CCCCC3)n(CC(C)C)c(=O)c2[nH]1 67237731 WWCFPVQUIYNESL-UHFFFAOYSA-N 390.553 3.572 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc2cccnc12)c1ccco1 7980338 WBMVDGMTJZVDIO-LJQANCHMSA-N 385.423 3.808 0 40 GHAB COc1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1OC 8111084 WZSPCBYQVLBMOQ-UHFFFAOYSA-N 381.472 3.862 0 40 GHAB Nc1nc(CSc2ncnc3sccc23)nc(Nc2ccc(F)cc2)n1 8156009 CDROFGFBEOABFT-UHFFFAOYSA-N 385.453 3.634 0 40 GHAB CCOc1cc2c(cc1CNC(=O)CCC(=O)c1ccc(F)cc1)O[C@@H](C)C2 8270010 KHODCBIHJWHOBE-AWEZNQCLSA-N 385.435 3.827 0 40 GHAB O=C(CC1CCCCC1)Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1 69929403 DBZKOAQRKVWPGY-UHFFFAOYSA-N 399.491 3.516 0 40 GHAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc2c(c1)nc1n2CCCCC1 18699413 DBGDQKYZKASTSZ-UHFFFAOYSA-N 390.443 3.699 0 40 GHAB COc1ccc2c(c1)OCC(/C=C1/N=C(c3ccccc3OC(F)F)OC1=O)=C2 96939641 VETIKHYGWPFLLK-CXUHLZMHSA-N 399.349 3.960 0 40 GHAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(Cn4cccn4)cc3)cc2NC1=O 84678195 WWNLEVNIIJEQDA-CYBMUJFWSA-N 378.457 3.616 0 40 GHAB O=C(CCNC(=O)c1ccc2ccccc2c1)N[C@H](CCCO)c1ccccc1 95445698 RXDNIHBNRKJDOS-JOCHJYFZSA-N 390.483 3.590 0 40 GHAB COc1cc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)ccc1O 95474568 XIGQCFRZEZRGGX-QGZVFWFLSA-N 389.477 3.820 0 40 GHAB CS(=O)(=O)Cc1ccc(C(=O)N2CCCC[C@H]2CCCc2ccccc2)o1 95434596 RUIIWGNNITUIQZ-SFHVURJKSA-N 389.517 3.842 0 40 GHAB COc1ccc(C2(CNC(=O)Cc3c(F)cccc3Cl)CCOCC2)cc1 56451713 RLNAOMYOQJYHQP-UHFFFAOYSA-N 391.870 3.895 0 40 GHAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 408584609 RXZUZEDQDWNNMS-UHFFFAOYSA-N 395.912 3.596 0 40 GHAB CCOc1ccc([C@@H](O)CCN[C@H](CC(=O)O)Cc2c[nH]c3ccccc23)cc1 27517065 PWGVXUZCZYESMS-AVRDEDQJSA-N 396.487 3.666 0 40 GHAB COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3cccc(C)c3)oc12 67293682 XOCPODNSKIZDSX-LIJORCRASA-N 392.455 3.891 0 40 GHAB O=C(c1ccc(O)cc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 32101181 QIHSDHIITYPNSY-INIZCTEOSA-N 384.741 3.547 0 40 GHAB C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cncnc1C1CC1 514920349 MSEGYMHPEPCINW-YVEFUNNKSA-N 391.393 3.975 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccc1-n1ccnc1C 216335431 PHUGVTDHTVBUNQ-OAQYLSRUSA-N 379.460 3.663 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2sc(-c3ccccn3)nc2C)N(C)C)cc1 25715703 NHBLMEHTWDDIGP-GOSISDBHSA-N 396.516 3.555 0 40 GHAB Cc1ccc(C2(C(=O)N3CCN(Cc4cccc(F)c4)CC3)CCOCC2)cc1 72264683 CPVVJWWWYRRGHO-UHFFFAOYSA-N 396.506 3.527 0 40 GHAB Cc1csc2nc(CN[C@H]3C[C@H](OCc4ccccc4)C3(C)C)cc(=O)n12 567338231 SSPCQQSOGHUZSL-ROUUACIJSA-N 383.517 3.538 0 40 GHAB Cc1cc(Oc2ccccc2C)nc([C@@H]2CCCN2C(=O)C2CCOCC2)n1 72384279 SJSZCPNZYJGQNM-SFHVURJKSA-N 381.476 3.976 0 40 GHAB CCCN1CCN(C(=O)C2CCC2)[C@H](Cc2ccccc2-c2ccncc2)C1=O 72351517 IPRQHUOCYOVFNQ-JOCHJYFZSA-N 391.515 3.541 0 40 GHAB C[C@H](C(=O)OC1c2ccccc2-c2ccccc21)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 40159207 HIAGTSFPMOTBDR-UAOJZALGSA-N 389.451 3.863 0 40 GHAB COc1cccc(OCCc2cc([C@@H]3CCN(Cc4cnc(C)s4)C3)n[nH]2)c1 72371792 PPCLYNXJDLHBBV-MRXNPFEDSA-N 398.532 3.794 0 40 GHAB O=c1[nH]c(CNc2ccc(Cl)cc2)nn1Cc1ccc(Br)cc1 44900966 BBZWRAHSZUGCGX-UHFFFAOYSA-N 393.672 3.648 0 40 GHAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223553362 XDVOSZBFRRLXHQ-NRFANRHFSA-N 382.504 3.947 0 40 GHAB CCOC(=O)c1cccnc1N1CCN(Cc2cccc3ccccc23)CC1 48326124 OMLYRMCEDCXGHB-UHFFFAOYSA-N 375.472 3.734 0 40 GHAB COc1cc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc(OC)c1 225230089 HDPDTQHTYIOHKP-UHFFFAOYSA-N 391.562 3.716 0 40 GHAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1 224150397 GVOUGXPYJXGOSK-UHFFFAOYSA-N 390.480 3.713 0 40 GHAB CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 223304239 KSMDJCZYDCPKAO-WDSOQIARSA-N 384.549 3.790 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(C(=O)O)cc3)s2)cc1 49549121 BRJQWKPPUYJOFV-UHFFFAOYSA-N 382.441 3.755 0 40 GHAB CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1)S(=O)(=O)CC 222392857 SDIBLMCWOUPDHX-UHFFFAOYSA-N 396.896 3.777 0 40 GHAB CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 44846052 MVXLMMDEUQPVDC-CQSZACIVSA-N 375.490 3.900 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C 224135978 ZACPFSMUDKICCQ-HXUWFJFHSA-N 382.504 3.626 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCCN2CCCC[C@@H]2CC)c1 225582812 ISMZVISAWRHTTN-SFHVURJKSA-N 377.554 3.804 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)c1 225457991 SUOHNGYCLWLARU-UHFFFAOYSA-N 394.500 3.844 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 222953615 QNUBNHWBBKLEID-NRFANRHFSA-N 390.483 3.772 0 40 GHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 225038556 LWNDNOAPYDTKKI-QCUKBLKESA-N 397.452 3.863 0 40 GHAB COc1cc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCOCC2)ccc1O 95478491 WRSNSSAIXFOPPP-INIZCTEOSA-N 375.450 3.541 0 40 GHAB O=C(Nc1ccc2[nH]c(-c3ccc(Cl)cn3)nc2c1)c1cc2n(n1)CCCO2 585140023 PHUOUFXYHMFZFR-UHFFFAOYSA-N 394.822 3.510 0 40 GHAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)n1 257336811 YQCYUOWBNGRTAQ-QGZVFWFLSA-N 398.470 3.743 0 40 GHAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)cn1 257275474 NPONAKGFWKIJNH-HNNXBMFYSA-N 380.423 3.592 0 40 GHAB Cc1cnn(CC(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)c1 257253667 JZUJOTZOFCLJLU-KRWDZBQOSA-N 398.894 3.830 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 260453040 CYLUEZGCKCGGNH-QZTJIDSGSA-N 388.533 3.644 0 40 GHAB CC(C)(C)n1nnc(CC(=O)Nc2ccc(F)cc2Nc2ccccc2F)n1 613420381 SZBMQNYAGPTZDF-UHFFFAOYSA-N 386.406 3.631 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](O)c1ccc2c(c1)CCO2 90610619 IYTASJDKRSYXTQ-KRWDZBQOSA-N 398.846 3.702 0 40 GHAB CC(C)[C@@H](CNC(=O)CSc1ncc2c(n1)CCCC2=O)c1ccccc1 629199195 MRMOCDSORYJPAD-MRXNPFEDSA-N 383.517 3.644 0 40 GHAB O=C(N[C@@H](CO)Cc1cncs1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 1149832138 FQVLZFIOWRDJNF-MJGOQNOKSA-N 386.904 3.648 0 40 GHAB O=C(CCc1ccc(Cl)cc1)N1CCC[C@@]2(CCN2C[C@H]2CCCO2)C1 585101805 HKSXFUCULRDLJV-TZIWHRDSSA-N 376.928 3.519 0 40 GHAB Cc1ccc(-c2n[nH]c3c2CCN(C(=O)Cc2c(F)cc(F)cc2F)CC3)cc1 585110460 YQXHSNUTKBXXGV-UHFFFAOYSA-N 399.416 3.972 0 40 GHAB Cc1c(C(=O)N[C@H]2CCN3CCCC[C@@H]23)cnn1-c1cccc(C(F)(F)F)c1 60567603 ZEOBAGUPIGSBKK-ROUUACIJSA-N 392.425 3.556 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3cccnc3N(C)C)sc2C)cc1OC 61235021 HVWUSINDKFQCHK-UHFFFAOYSA-N 398.488 3.849 0 40 GHAB O=C(OCc1csc(Br)c1)c1cccc(N2CCCC2=O)c1 58669290 YBWJEELTDSDXHK-UHFFFAOYSA-N 380.263 3.994 0 40 GHAB Cc1nc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)sc1C 12142493 JIUBTQDPOUSQCC-ZZNFZSSBSA-N 396.516 3.686 0 40 GHAB O=C(Cc1ccccc1Cl)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1 12291976 BSTAROUMYUTMIT-OAHLLOKOSA-N 382.851 3.734 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(F)cc1Cl 12873938 NCKYBNHCZMPZGZ-CYBMUJFWSA-N 387.846 3.691 0 40 GHAB Cc1cc(N2CCN(c3cccc(C)c3C)CC2)n2nc(-c3ccco3)nc2n1 15780273 DSSJEXTZQKBHKT-UHFFFAOYSA-N 388.475 3.636 0 40 GHAB Cc1ccc2c(C(=O)CN3CCC(O)(Cn4ccnc4C(C)C)CC3)c[nH]c2c1 19219709 SOMNCFBDLUOUFG-UHFFFAOYSA-N 394.519 3.506 0 40 GHAB CCc1ncc(CN(C)C2CCC3(CC2)CN(C)Cc2ccccc2O3)cn1 19523287 DXLAXYWOMJXFQN-UHFFFAOYSA-N 380.536 3.677 0 40 GHAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc2c(c1)nnn2C1CCCCC1 19659426 KBDVBVKBXPAPOG-AWEZNQCLSA-N 394.523 3.648 0 40 GHAB COc1ccc([C@@H]2CN(Cc3cc(OC)ccc3OC)C[C@H]2c2cc[nH]n2)cc1 12128554 ODLYXXIZJPWVJA-LEWJYISDSA-N 393.487 3.819 0 40 GHAB CC(C)(C)n1nnc(CNC(=O)NCc2ccccc2-c2ccc(Cl)cc2)n1 654421351 DGKJLIXQAYOMBC-UHFFFAOYSA-N 398.898 3.748 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@H]2CN(c3ncnc4sccc34)C[C@@H]2C1 1888906551 NKLONAUMURSKGM-VXGBXAGGSA-N 391.422 3.678 0 40 GHAB COc1ccc2cc(C(=O)N3CC[C@H](c4noc(-c5ccccc5)n4)C3)[nH]c2c1 238958108 YEGQUUZDCTZDCZ-INIZCTEOSA-N 388.427 3.856 0 40 GHAB CCCNC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1 8852284 VCHHACIQKLAJKB-UHFFFAOYSA-N 383.926 3.596 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NC[C@H]1CN(c2ccccc2)C(=O)O1 9067974 CNFVIJISQZUJSF-AWEZNQCLSA-N 395.242 3.514 0 40 GHAB CC(C)c1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)n[nH]1 19451927 ZSKNTHNWJHWTLC-WMQCIHAUSA-N 384.499 3.813 0 40 GHAB Cc1nnnn1-c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 40090897 HNVMPMJLLWWFKX-UHFFFAOYSA-N 392.644 3.639 0 40 GHAB CCn1c(=O)n(CCC(=O)Nc2ccc3nc(C)sc3c2)c2ccccc21 10415056 IXDXXBLODCIOBZ-UHFFFAOYSA-N 380.473 3.770 0 40 GHAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(C(=O)O)cc2)c(OC)c1 40287304 ZNYATOLQNARBCO-HNNXBMFYSA-N 393.399 3.711 0 40 GHAB COc1ccc(CNC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1OC 31043106 YEOMDFWWBWLSEB-CQSZACIVSA-N 397.475 3.613 0 40 GHAB O=C(Nc1ccccc1)O[C@H](CN1CCN(c2ccccc2)CC1)C(F)(F)F 20219004 XTTGJFQANXUSNS-GOSISDBHSA-N 393.409 3.988 0 40 GHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N(C)Cc4ccc(C(N)=O)cc4)cc3c2C1 31165339 JPEUUEYGHWGDDP-CQSZACIVSA-N 375.472 3.664 0 40 GHAB CCCN1CCc2c(sc3ncn4nc(Cc5ccc(OC)cc5)nc4c23)C1 20566105 JQPMXOZHHPYOCV-UHFFFAOYSA-N 393.516 3.707 0 40 GHAB O=C(Nc1ccnn1Cc1ccccc1)c1ccc(OCC(F)(F)F)nc1 32885625 KFXOYEDALYGGBL-UHFFFAOYSA-N 376.338 3.520 0 40 GHAB CC(=O)N[C@H](CC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccccc1 32967069 DKGMBJALUUKMAY-HXUWFJFHSA-N 391.471 3.801 0 40 GHAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 32912988 XQTALZRSAUOMGK-CYBMUJFWSA-N 387.402 3.698 0 40 GHAB O=C(Cc1csc(COc2ccc(F)cc2)n1)NCCc1ccccc1F 22377461 UJBSSBIQOMVWGI-UHFFFAOYSA-N 388.439 3.902 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccncc2)cc1C 796417 ANUJNQVKFMLALM-UHFFFAOYSA-N 395.532 3.810 0 40 GHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1 821180 SKNAYYMPDONYOL-AWEZNQCLSA-N 376.453 3.641 0 40 GHAB CNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 931512 VAPUXMVBDICFTE-UHFFFAOYSA-N 383.492 3.791 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(NC(=O)C2CCCCC2)s1 1381582 IVLHWVZELOVFDO-STQMWFEESA-N 396.582 3.939 0 40 GHAB Cc1c(C)c2ccc(OC(=O)CCNC(=O)OCc3ccccc3)cc2oc1=O 2093009 NPNAHKCIPUQMQA-UHFFFAOYSA-N 395.411 3.632 0 40 GHAB biogenic Cc1coc2cc3oc(=O)c(CCC(=O)NCCCCCC(=O)O)c(C)c3cc12 2107403 KPKDBTNUDXHPAF-UHFFFAOYSA-N 399.443 3.850 0 40 GHAB biogenic COc1cccc(-c2nc3ccc(Cl)cn3c2CN2CCC(C(=O)O)CC2)c1 2528851 PLOBHGLVRWMEIL-UHFFFAOYSA-N 399.878 3.960 0 40 GHAB Cc1ccc(CNC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1 2621502 NKXREEGZSAKTSJ-UHFFFAOYSA-N 381.288 3.753 0 40 GHAB C[C@@H](NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccccc1 3006291 BMRSXHXOMHQGPN-OAHLLOKOSA-N 381.863 3.831 0 40 GHAB C[C@@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(Cl)cc1Cl 3266114 FCDKZXXJQNZOPX-QLJPJBMISA-N 396.226 3.704 0 40 GHAB Cc1cc(NC(=O)CN(C)CCOc2ccccc2)ccc1Br 3323063 MKQKBSCRKSUBOY-UHFFFAOYSA-N 377.282 3.707 0 40 GHAB Cc1csc(N(C(=O)c2nn(C)c(=O)c3ccccc23)c2ccccc2)n1 3554645 ZLGVJUTXQBMONB-UHFFFAOYSA-N 376.441 3.677 0 40 GHAB O=C(OCc1c(F)cccc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 3620479 CCJUYZBXKBQBRM-UHFFFAOYSA-N 397.855 3.621 0 40 GHAB CCCC[C@@H](CC)CN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4029684 MNOBUIXIELKHGV-MWTRTKDXSA-N 381.520 3.826 0 40 GHAB biogenic Cc1cc(C)cc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)c1 4224531 HNMUMHKGWLJYMV-MHZLTWQESA-N 383.448 3.643 0 40 GHAB CC(C)OCCCNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 4548035 MMZNLJMLXJLYKY-UHFFFAOYSA-N 397.357 3.592 0 40 GHAB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 5007524 AVVXTXAWAIBZKI-UHFFFAOYSA-N 392.286 3.914 0 40 GHAB CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc12 5100890 XWXLDTORVUOGPE-GFCCVEGCSA-N 377.423 3.823 0 40 GHAB O=C(COc1ccc(Br)cc1CO)Nc1ccc(Cl)cc1F 5468341 HXGHWDNNENCAFJ-UHFFFAOYSA-N 388.620 3.751 0 40 GHAB CN(C)C(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 5710307 JLZDKNJXWPLGFL-UHFFFAOYSA-N 380.416 3.990 0 40 GHAB COc1ccc(C(=O)CSc2nnc(COc3ccccc3C)n2C)cc1 5885362 RIJPGYKTBGDRFX-UHFFFAOYSA-N 383.473 3.686 0 40 GHAB COCc1cc(C)nc(NN=Cc2ccc(OC)c(Br)c2)c1C#N 6275723 RTRVBBMKSMLRHS-UHFFFAOYSA-N 389.253 3.625 0 40 GHAB CCOc1cc(C(=O)Oc2ccc(-c3nnco3)cc2)ccc1OC(F)F 7780104 KYXYGTHJMCOWIU-UHFFFAOYSA-N 376.315 3.956 0 40 GHAB COc1ccc([C@H](NS(=O)(=O)c2cccc(C(C)=O)c2)c2ccccc2)cc1 8073334 KIJKFOHJCOYCES-JOCHJYFZSA-N 395.480 3.966 0 40 GHAB C[C@@H]1C[C@@H](Sc2nnc(COc3ccccc3Cl)n2C2CC2)C(=O)O1 8323878 QYBNMGCUZYPSGL-QMTHXVAHSA-N 379.869 3.642 0 40 GHAB C[C@@H]1CCN(C(=O)CSc2nnnn2C2CCCC2)c2ccccc2S1 8339807 NKXLDOLFFQEICY-CYBMUJFWSA-N 389.550 3.798 0 40 GHAB C[C@@H](NC(=O)CNC(=O)COc1ccccc1)c1ccc(-c2ccccc2)cc1 8752123 FELWOUCEPTZKFL-GOSISDBHSA-N 388.467 3.726 0 40 GHAB Cc1cccc2c(=O)n(CCCC(=O)OCc3nc4ccccc4s3)cnc12 8920128 VPDWSMRHOYXGHV-UHFFFAOYSA-N 393.468 3.838 0 40 GHAB COC(=O)[C@@](NNc1ccccc1)(Nc1nc2ccccc2s1)C(F)(F)F 9111248 CQEUJZLNGGERID-INIZCTEOSA-N 396.394 3.757 0 40 GHAB Cc1csc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 9593103 IFNJMNISRLGQIA-CQSZACIVSA-N 376.503 3.679 0 40 GHAB Cc1ccc(Cn2nnc(C(=O)Nc3ccc(Cl)cc3Cl)c2N)cc1 9748848 AFTFAXIEPKVWQD-UHFFFAOYSA-N 376.247 3.776 0 40 GHAB Cc1cc(C)c(CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c(C)c1 9837451 JUWYYFHKXWWBCN-MSOLQXFVSA-N 382.851 3.759 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2cc(F)c(Cl)cc2Cl)n1 11171169 KRCJNMZGSKXBOA-UHFFFAOYSA-N 377.224 3.947 0 40 GHAB O=C(c1c2c(nc3ccccc13)CCCC2)N1CCN(c2nccs2)CC1 11187575 JRESPPNHIMWCPN-UHFFFAOYSA-N 378.501 3.533 0 40 GHAB C[C@@H](NC(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1 12440982 RYWHOMKKWXGZNN-MRXNPFEDSA-N 379.435 3.707 0 40 GHAB C[C@H]1CN(S(=O)(=O)c2ccc(-c3nc4ccccc4s3)cc2)C[C@@H](C)O1 12470367 ZMVSSGNWNQCKSA-OKILXGFUSA-N 388.514 3.761 0 40 GHAB Cc1nn(CN(C)Cc2ccc3c(c2)OCCO3)c(=S)n1-c1ccccc1 12550859 PEYIJMZNVOIRME-UHFFFAOYSA-N 382.489 3.572 0 40 GHAB Cc1ccn2cc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)nc2c1 12574813 ZKVUWQVYKONFCY-UHFFFAOYSA-N 391.258 3.660 0 40 GHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nnc(C)s2)cc1 12775007 OGSQRAHAZGDZNJ-UHFFFAOYSA-N 391.456 3.960 0 40 GHAB Cc1ccc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 12900971 QNTXIXAUXDPSSA-UHFFFAOYSA-N 393.512 3.741 0 40 GHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc(-c2ccc(Cl)cc2)no1 12946576 BLSBEYPXBHVJJE-UHFFFAOYSA-N 395.850 3.649 0 40 GHAB COc1ccc2cc(COC(=O)CCN3C(=O)c4ccccc4C3=O)ccc2c1 12999463 CMZVQCZWECJYQB-UHFFFAOYSA-N 389.407 3.578 0 40 GHAB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 13323443 LFEXKAZBKSPLLE-UXHICEINSA-N 375.532 3.669 0 40 GHAB CC[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1nc2cc(C)ccc2s1 13572040 TVVJKGFCEPDNLF-NSHDSACASA-N 384.490 3.780 0 40 GHAB CCCc1cc(OC(=O)c2ccc3c(c2)OCO3)n(-c2nc3ccccc3[nH]2)n1 13611026 RTMNOSBPYVRJMG-UHFFFAOYSA-N 390.399 3.649 0 40 GHAB CC(C)OCCCNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 14245325 VNYKKTUMQSKRTM-UHFFFAOYSA-N 382.504 3.623 0 40 GHAB CCOc1ccc(CCNC(=O)CCc2ccc3c(c2)OCO3)cc1OCC 14701926 FUUVQNDWYNRBSH-UHFFFAOYSA-N 385.460 3.504 0 40 GHAB CC(=O)N1CCC(NCc2ccc(-c3cccc(Br)c3)o2)CC1 15185063 DYBQLURGRPNRHS-UHFFFAOYSA-N 377.282 3.810 0 40 GHAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4CC4)C3)cc2N1 19083368 IPMOUZKEFHATNS-VHDGCEQUSA-N 384.446 3.943 0 40 GHAB COc1cccc(-c2cnc(NCC(C)(C)CN(C)C)nc2-c2nccn2C)c1 19085026 BDNGEFRLJRLQQO-UHFFFAOYSA-N 394.523 3.552 0 40 GHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@H]2C[C@@H]2C)C1 19463097 RMHZSVVLFVSZEP-NVVBAYIOSA-N 396.556 3.968 0 40 GHAB C[C@H]1CN(C(=O)C2(Cc3ccccc3-c3cccnc3)CCOCC2)C[C@H](C)O1 19497229 GDJIGDZHOHKLQL-OALUTQOASA-N 394.515 3.724 0 40 GHAB Cc1c(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)oc2ccccc12 19566167 MQBCIWOIYABFSF-LJQANCHMSA-N 390.487 3.887 0 40 GHAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)OCC(=O)N4)c2)n1 19666565 OKFCUWSHNHHDDF-UHFFFAOYSA-N 396.834 3.726 0 40 GHAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccccc1Cl 19819044 UZTBNRKDCCRCOE-HNNXBMFYSA-N 398.846 3.779 0 40 GHAB CC(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 21873448 YQCRIMJTUUACBA-UHFFFAOYSA-N 384.860 3.666 0 40 GHAB C[C@H]1CN(CCCNC(=O)c2cc3c(s2)-c2ccccc2CC3)C[C@@H](C)O1 23509020 VUTXEHARMAKYLU-IYBDPMFKSA-N 384.545 3.743 0 40 GHAB COc1ccc(CC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 24560108 LHFUFEIZHOFLKX-OAQYLSRUSA-N 375.472 3.676 0 40 GHAB O=C(CCCn1cnc2ccccc2c1=O)Nc1ccccc1OC(F)(F)F 24713044 ZPKLOCSTVCBYJA-UHFFFAOYSA-N 391.349 3.714 0 40 GHAB CN1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)[C@@H](c2ccccc2)C1 24929548 PKWSKHGVOJSRHB-IHHMQQGQSA-N 398.890 3.640 0 40 GHAB CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1cccc(C(N)=O)c1 25458665 LYMYVUAFOZZLKE-UHFFFAOYSA-N 384.486 3.587 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(/C=C/c3ccccc3)c(O)n2)c1 27300707 VUXRYZSQWGKUHL-ZHACJKMWSA-N 378.457 3.787 0 40 GHAB COc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)c2ccccn2)cc1 27580266 FVEHZHNAJQYHRK-UHFFFAOYSA-N 378.428 3.954 0 40 GHAB O=C(O)c1cc(S(=O)(=O)NCc2ccccc2C(F)(F)F)ccc1Cl 28224727 JGMBDGJTPQBKTO-UHFFFAOYSA-N 393.770 3.536 0 40 GHAB CN(C)[C@@H](CNC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccs1 28800174 SXAOOSVKUJQRSS-AWEZNQCLSA-N 387.427 3.749 0 40 GHAB COc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1F 30324454 FKBYTQJARSMFAW-UHFFFAOYSA-N 375.874 3.558 0 40 GHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cnc2onc(C)c2c1 32905837 ODTASCZSLGOTJN-UHFFFAOYSA-N 386.839 3.594 0 40 GHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)COc1ccccc1Cl 32911569 AHDCXSPULOSTDG-UHFFFAOYSA-N 383.879 3.962 0 40 GHAB Cc1cc(C)n(CCCNC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)n1 32999751 SFSVVVBNBIDHDG-UHFFFAOYSA-N 386.496 3.820 0 40 GHAB CCC(=O)N(Cc1ccccc1OC)Cc1cc2ccc(C)cc2n2nnnc12 35289707 IDCXBCPXTRPTSB-UHFFFAOYSA-N 389.459 3.533 0 40 GHAB O=C(O)CSc1nnc2n(Cc3c(F)cccc3Cl)c3ccccc3n12 35314650 VENFXPYBAULYRC-UHFFFAOYSA-N 390.827 3.702 0 40 GHAB CCn1ncc(-c2cc(C(F)F)nc(NCCCn3nc(C)cc3C)n2)c1C 36613914 LXCWDUPIBIASCG-UHFFFAOYSA-N 389.454 3.922 0 40 GHAB COc1ncc(CN(Cc2ccccc2F)C2CC(C)(C)NC(C)(C)C2)cn1 36740480 MSTYONDVDKHLAE-UHFFFAOYSA-N 386.515 3.936 0 40 GHAB COc1ccc(-c2nc(CC(=O)OCc3c(C)noc3C)cs2)cc1OC 39576361 RGOWBLPOWLJJQV-UHFFFAOYSA-N 388.445 3.718 0 40 GHAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)CC1(OCCO1)[C@@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]12 39738332 HVWSAXRIUJFDOY-LMIIEUPDSA-N 390.520 3.883 0 40 GHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)CCc1ccccc1 40103825 YUWZCWPOURTJMK-LJQANCHMSA-N 380.536 3.890 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2csc(-n3c(C)ccc3C)n2)c1 40131421 UFCXERCKQPBYOH-HNNXBMFYSA-N 399.516 3.988 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 40132083 OKDJRPHEPUZVIZ-UHFFFAOYSA-N 397.500 3.924 0 40 GHAB COc1ccc(-c2noc(COc3ccc(C(C)=O)cc3OC)n2)c(OC)c1 48366813 IYKSNEYSDBRLLV-UHFFFAOYSA-N 384.388 3.544 0 40 GHAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)CCc2c[nH]c3ccccc23)c1 49122758 WIWIUCNXXFWMTA-MRXNPFEDSA-N 377.488 3.945 0 40 GHAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1nnc([C@H]2CCCO2)s1 49548914 IBXZYNNRAIKRPJ-GFCCVEGCSA-N 389.506 3.842 0 40 GHAB O=C(CCS(=O)(=O)C1CCCC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 49639024 MJNCYSKVIGXQGG-JOCHJYFZSA-N 397.540 3.908 0 40 GHAB CC(C)(C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1F 57487566 FIXFKCKYXPRXOM-UHFFFAOYSA-N 391.493 3.593 0 40 GHAB CC(=O)Nc1cc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)ccc1C 58179617 JFRVHXUUDIJEPL-KRWDZBQOSA-N 375.469 3.682 0 40 GHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1nn(-c2ccc(F)cc2)ccc1=O 68087927 NWTAOXBAWRWMGV-CQSZACIVSA-N 391.402 3.951 0 40 GHAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCn1c(C)n[nH]c1=S 72304171 YYWNONRJIOIYBJ-UHFFFAOYSA-N 393.925 3.764 0 40 GHAB COc1ccc(Oc2nccnc2C2CCN(C(=O)c3ccccn3)CC2)cc1 72362251 ODVLTFJZZMBQQZ-UHFFFAOYSA-N 390.443 3.692 0 40 GHAB COc1ccc(OCCc2cc([C@@H]3CCN(Cc4cnc(C)s4)C3)n[nH]2)cc1 72371794 GNVDWOXSRZLYPJ-MRXNPFEDSA-N 398.532 3.794 0 40 GHAB Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccncc2)Cc2cccc(F)c2)on1 72395066 XPBUZFBJEFOCPT-DENIHFKCSA-N 381.451 3.777 0 40 GHAB O=C(NC1(c2nc(C3CC3)no2)CCCCC1)c1ccc(Br)o1 77197384 ISCXKVXYUNOHNB-UHFFFAOYSA-N 380.242 3.892 0 40 GHAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(NC(=O)c2ccsc2)cc1 85876492 VQBMRZAAZJEDCM-FXAWDEMLSA-N 397.544 3.995 0 40 GHAB biogenic Cc1nc(CCNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)c(C)o1 89548017 NWRMHQOSANPGAK-UHFFFAOYSA-N 384.457 3.764 0 40 GHAB O=S1(=O)CC[C@H](n2nc(C3CC3)cc2NCc2cccc(C(F)(F)F)c2)C1 89774538 PRSUUJWFKFWIIZ-HNNXBMFYSA-N 399.438 3.751 0 40 GHAB Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]c2c1 95400119 MCJCXVQTKPDPFJ-QAPCUYQASA-N 398.507 3.792 0 40 GHAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 95975759 KVENKNMGBSUUPT-VGOFRKELSA-N 388.467 3.767 0 40 GHAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@H]1C[C@@H]1c1ccccc1Cl 96007034 XWGSFTWNODBYNK-NRSPTQNISA-N 398.934 3.717 0 40 GHAB CCOc1ncccc1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119704 BWMCQCTZTQRGRU-UHFFFAOYSA-N 390.399 3.966 0 40 GHAB Cc1nnsc1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 96119748 ATYDQIJIQWAGSE-UHFFFAOYSA-N 383.458 3.801 0 40 GHAB O=C(Nc1ccc(NC2CCCCC2)cc1)c1cc(N2CCOCC2)ccn1 97104147 JNMNHMKXNNGAGD-UHFFFAOYSA-N 380.492 3.915 0 40 GHAB CS(=O)(=O)c1cccc(OCCN[C@@H]2CCC[C@@H]2c2ccc(F)cc2)c1 97141100 KXYPXRFWYPCBLP-WOJBJXKFSA-N 377.481 3.534 0 40 GHAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)CC2=O)cc1 103717769 UEYJNAURDUHMGB-SFHVURJKSA-N 378.472 3.956 0 40 GHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2cnc(C)c2C)cc1 106440080 YRULVSZKPXWCAI-JOCHJYFZSA-N 388.471 3.886 0 40 GHAB COc1cc(OC)cc(-c2nc(S/C(=C\c3cccs3)C(=O)O)n[nH]2)c1 213370506 ORIUHDXEXMPZDJ-ZROIWOOFSA-N 389.458 3.768 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 219598816 JUYGDHDLRXBUGH-GOSISDBHSA-N 381.432 3.527 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 222992387 UWGSAFGGCMSUTD-IBGZPJMESA-N 382.504 3.707 0 40 GHAB COc1cccc(O[C@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)c1 224682246 FTIHDNCFJCEGIP-GOSISDBHSA-N 382.504 3.765 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224752595 GVTPUQUUFRJXGN-MRXNPFEDSA-N 386.533 3.705 0 40 GHAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)c1ccccc1Br 225586918 TZRMAKPWFHMDDA-QGZVFWFLSA-N 392.274 3.770 0 40 GHAB CN1CCC(Oc2ccc(CNC(=S)Nc3c(F)cccc3F)cc2)CC1 225772938 TUUKKYGKLPEADS-UHFFFAOYSA-N 391.487 3.924 0 40 GHAB CN(c1ccc(CC(=O)NC(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 225986510 NIBQMTVAQNMJNV-UHFFFAOYSA-N 394.924 3.622 0 40 GHAB COc1ccc([C@@H]2CCCN2C[C@H](O)c2cc(F)ccc2OC)cc1OC 247874447 GIGZBXOXQFJCKF-ROUUACIJSA-N 375.440 3.722 0 40 GHAB CCc1ccc(N2C(=O)[C@@H]3C[C@@H]4c5ccccc5N[C@H]4[C@H](C)N3C2=S)cc1 253563171 FDFLEPBXEZVLTQ-KGFWFAMKSA-N 377.513 3.921 0 40 GHAB CO[C@]1(COc2ccc(C)cc2)CCCN(CC(=O)NCc2ccccc2)CC1 257286203 PKSHOCYGWNCMNX-XMMPIXPASA-N 396.531 3.561 0 40 GHAB Cn1nccc1[C@H]1CCCCN1C(=O)CCc1ccccc1Br 281225758 JXJHTISEXZZXOR-QGZVFWFLSA-N 376.298 3.869 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1OC 408585821 JUFRRGLIKLGVHE-UHFFFAOYSA-N 384.841 3.718 0 40 GHAB COc1cc(Cc2noc(C3(CC(C)C)CCC3)n2)ccc1S(C)(=O)=O 546396407 AMISMFUDEPCVRP-UHFFFAOYSA-N 378.494 3.540 0 40 GHAB Cc1csc2nc(CN[C@@H]3C[C@@H](OCc4ccccc4)C3(C)C)cc(=O)n12 567338230 SSPCQQSOGHUZSL-QZTJIDSGSA-N 383.517 3.538 0 40 GHAB C[C@@H](Oc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1)C(F)(F)F 569143674 IALOBEOBTPPHKJ-LLVKDONJSA-N 387.379 3.672 0 40 GHAB C[C@@H](O)c1cc(NCc2c(Cl)cccc2N2CCN(C)CC2)ccc1F 585081812 HBZMZUCCUZHYDB-CQSZACIVSA-N 377.891 3.896 0 40 GHAB COC(=O)[C@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)Cc2ccccc21 599666718 AIOWROREZBJEMC-KRWDZBQOSA-N 383.835 3.662 0 40 GHAB CC(C)c1ccc(-c2nc(CC(=O)NCC(=O)NCc3ccco3)cs2)cc1 601040252 CEBVCHTXVUWDHM-UHFFFAOYSA-N 397.500 3.502 0 40 GHAB FC(F)c1nnc2ccc(N3CC(Cc4ccccc4Br)C3)nn12 624713452 HCUKHFCUOBHCMM-UHFFFAOYSA-N 394.223 3.503 0 40 GHAB Cc1cc(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)c2cc(Br)ccc2n1 629136806 JZNJRRPNGPBNRW-CXAGYDPISA-N 375.266 3.603 0 40 GHAB CC(C)c1nc([C@H]2CCCCCN2C(=O)C[C@H](C(=O)O)c2ccccc2)no1 634911310 VURGXHUWEBMXJF-DLBZAZTESA-N 385.464 3.895 0 40 GHAB CCCn1c(SCc2nc(-c3cccnc3)no2)nc2ccc(F)cc2c1=O 669560151 YNSOSFWERSDESG-UHFFFAOYSA-N 397.435 3.683 0 40 GHAB O=C(Nc1c(F)cccc1F)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 1888913107 KZELLSQZKXSVPP-UHFFFAOYSA-N 398.417 3.691 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc34)C2)n1 47239475 NALRDJAHNBIRGC-FQEVSTJZSA-N 387.483 3.963 0 40 GHAB CC(=O)N1CCN(C(=O)c2sc(-c3c(Cl)cccc3Cl)nc2C)CC1 12409586 DSJZQHUJOSZZFN-UHFFFAOYSA-N 398.315 3.730 0 40 GHAB O=C(O)c1cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)ccc1Cl 78824785 PNDXPXGEMZAHJS-UHFFFAOYSA-N 381.624 3.541 0 40 GHAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1ccc(OC)cc1OC)C2 1369889 IHAGMJHQNZUZHY-HZPDHXFCSA-N 377.554 3.786 0 40 GHAB Cc1c([C@@H](C)NCc2cc(-c3cccnc3)n[nH]2)cnn1-c1ccc(F)cc1 78998935 KIYCRSZYGGHXGV-CQSZACIVSA-N 376.439 3.956 0 40 GHAB CCc1nnc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)s1 3089487 HPVDTAVVWVOPHD-UHFFFAOYSA-N 387.412 3.872 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 4159749 PEJXTLNZRZRCNI-BDTNDASRSA-N 384.435 3.733 0 40 GHAB Cc1nc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)sc1-c1ccccn1 23502901 SJIRZPMGLBWWCN-ZDUSSCGKSA-N 382.420 3.717 0 40 GHAB CC(C)N(C(=O)CSc1nnc(NC(=O)c2cccs2)s1)C(C)C 4905228 UYRACWRLUKTCEO-UHFFFAOYSA-N 384.552 3.589 0 40 GHAB O=C(Cc1ccc(Cl)cc1Cl)N[C@@H](CN1CCOCC1)c1ccccc1 24084052 PDBOEGGRJQBVHE-IBGZPJMESA-N 393.314 3.726 0 40 GHAB CC(C)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 7804103 MBHRIDSAEUEZON-CQSZACIVSA-N 386.945 3.679 0 40 GHAB O=C(/C=C/c1ccc(Br)o1)Nc1ccc(N2CCOCC2)cc1 3192823 KVYSXSFWWVHZTE-SOFGYWHQSA-N 377.238 3.531 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(F)cc2)c(C)c1 8087283 BECVAZBQJJRQED-UHFFFAOYSA-N 384.451 3.811 0 40 GHAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2c(C)cccc2C)c1 8414867 FOZPUIFBFLSTCM-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB C[C@@H](C(=O)c1ccc(Cl)cc1)[C@]1(O)C(=O)Nc2ccc(Br)cc21 1320407 WZQFPNZOFQTJPS-HUTHGQBESA-N 394.652 3.761 0 40 GHAB CC(C)[C@H]1CCCN1c1ccc(NC(=O)[C@H](C)OC[C@@H]2CCCO2)cc1F 108169289 NRTCUIFZUZOKJG-VDZJLULYSA-N 378.488 3.973 0 40 GHAB N#C[C@@H](C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nnc2n1CCCCC2 35468000 HYADBRJABDHVLO-SFHVURJKSA-N 398.422 3.754 0 40 GHAB O=C(c1csc(Nc2ccccc2)n1)N1CCN(c2ccccc2F)CC1 23136750 KNGMDHQNVQMXKW-UHFFFAOYSA-N 382.464 3.988 0 40 GHAB COc1ccccc1[C@H]1[C@H](C(=O)N(C)OC)CCC(=O)N1c1ccc(C)cc1 36037338 LJJHVFUZZVXSLD-NQIIRXRSSA-N 382.460 3.508 0 40 GHAB COc1ccc(F)cc1COC(=O)[C@@H]1CC(=O)N(c2cccc(SC)c2)C1 12788999 UCNIQMAIPZLXCB-CYBMUJFWSA-N 389.448 3.653 0 40 GHAB CC[C@H](C)c1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 12732191 WQKFNMSNRBBHQR-HNNXBMFYSA-N 377.506 3.738 0 40 GHAB COc1ccc(C(C)=O)cc1COC(=O)c1c(NC(C)=O)sc(C)c1C 3365603 UQGXNANYUKBDBT-UHFFFAOYSA-N 375.446 3.892 0 40 GHAB CC(C)n1ncc2c(C(=O)Nc3ccc(C(N)=O)cc3)cc(-c3ccco3)nc21 10509895 PFBQJAJTUZPMFP-UHFFFAOYSA-N 389.415 3.623 0 40 GHAB COc1ccc(-c2nnc(SCc3nnc(SC)s3)o2)cc1OC 48302755 XDUZUVAXMLBDOS-UHFFFAOYSA-N 382.492 3.620 0 40 GHAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl 28498378 WUQGPDDGWYMCTC-UHFFFAOYSA-N 390.244 3.809 0 40 GHAB C[C@H]1Cc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2N1S(C)(=O)=O 10324176 HLYIITYMUWUGTH-JTQLQIEISA-N 399.299 3.956 0 40 GHAB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccco1 20802650 HITBYCKAHSNTPF-OALUTQOASA-N 395.459 3.791 0 40 GHAB O=C(OCc1csc(Br)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 46207165 RNHBXCDQUDVTEF-CQSZACIVSA-N 394.290 3.603 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1 29765824 WRMHJTOVHCECJX-TZMCWYRMSA-N 375.852 3.786 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CCc3nc4ccccc4s3)CC2)cc1 3404537 LJNXGARKWMEVGP-UHFFFAOYSA-N 393.512 3.780 0 40 GHAB Cc1cnc(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Br)c2C)s1 28227512 HEDYGRNRRYETRH-ZETCQYMHSA-N 397.220 3.937 0 40 GHAB Cc1c([C@@H](C)NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)oc2ccccc12 46651128 WBLJAPKNMRNGDA-CABCVRRESA-N 378.428 3.733 0 40 GHAB COc1cc(NC(=S)NC(=O)c2cccs2)ccc1-c1ccc(CO)o1 20152368 BUEGNBFCIKHBCH-UHFFFAOYSA-N 388.470 3.636 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 3525851 ZKFSWTCEWJKIGN-AWEZNQCLSA-N 385.847 3.824 0 40 GHAB Cc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)C(C)C 4036137 DXEKQGVXELYYMD-HXUWFJFHSA-N 399.516 3.700 0 40 GHAB CCCN(C(=O)CCCNC(=O)C1CC1)[C@H]1C[C@@H](OCC)C12CCCCC2 84750284 WBEPLPXODLHQCR-RBUKOAKNSA-N 378.557 3.659 0 40 GHAB COc1cc2c(cc1NC(=O)[C@H](C)Sc1nncn1C)oc1ccccc12 5118745 DFRBFEQVHHPOGB-NSHDSACASA-N 382.445 3.842 0 40 GHAB CCOCCc1c(O)nc(SC(c2ccccc2)c2ccccc2)[nH]c1=O 13957196 KKBNAJQSJXILSU-UHFFFAOYSA-N 382.485 3.936 0 40 GHAB C[C@H](OC(=O)c1cc(F)c(F)cc1Cl)C(=O)Nc1ccc(N(C)C)cc1 6622828 ANHRNJJSTZWROB-JTQLQIEISA-N 382.794 3.868 0 40 GHAB COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)Nc4cc(C)on4)n3c2c1 14672196 AJTWYKHBZPJADH-LBPRGKRZSA-N 397.460 3.615 0 40 GHAB Cc1cnn(Cc2cc(F)ccc2F)c1NS(=O)(=O)/C=C/c1ccccc1 66254818 RRQWCTNCITVATJ-MDZDMXLPSA-N 389.427 3.931 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1F 4735645 YAHUQYRJYZLUHF-LJQANCHMSA-N 381.407 3.654 0 40 GHAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 6839723 HOFHJVPPERWQGE-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB Cc1ccc(-n2cnnc2SCc2cc(=O)n3cccc(C)c3n2)cc1Cl 6985114 LUBWSLMGQYJSML-UHFFFAOYSA-N 397.891 3.838 0 40 GHAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)S(=O)(=O)c1ccc(C)cc1 9450634 OYKVNNVWAJIFIX-UHFFFAOYSA-N 384.501 3.746 0 40 GHAB O=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)c1ccccc1Cl 67206994 NPSPNOLWXGVHEJ-UHFFFAOYSA-N 399.237 3.748 0 40 GHAB O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@H](c1ccccc1)C1CC1 95451796 FQNBYNQCWUKTSQ-PKOBYXMFSA-N 393.405 3.755 0 40 GHAB Cc1cc(OCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)ccc1Cl 7406375 AVCIEMQKPHKKBF-SFHVURJKSA-N 376.884 3.964 0 40 GHAB O=C(COc1ccccc1Br)Nc1ccc(N2CCCC2=O)cc1 7504498 GTYRKYUKTQAXET-UHFFFAOYSA-N 389.249 3.593 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NCc2ccc(Cl)cc2)c1 7716836 SQYPFWGGZYHGDX-IBGZPJMESA-N 388.895 3.811 0 40 GHAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)c1C 9591075 JOYPAYSOJRACHE-INIZCTEOSA-N 385.847 3.736 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)N(c3ccccc3)C(C)C)C(=O)[C@H]2C)cc1 16695096 RRXDSPRINDEWQX-QGZVFWFLSA-N 379.460 3.594 0 40 GHAB CCCn1c(SCC(=O)Nc2ccccc2OC)nc2ccccc2c1=O 8195376 ICLAMOMEIWHSFE-UHFFFAOYSA-N 383.473 3.546 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3ccc(-n4ccnc4)nn3)n2)cc1C 69445196 OLNBFKZJSJWDHV-UHFFFAOYSA-N 376.445 3.655 0 40 GHAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nc2ccccc2c(=O)[nH]1 8686226 TZZCJIHEEQSBBZ-UHFFFAOYSA-N 381.501 3.843 0 40 GHAB O=C(CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 18149066 CNQVEFRXVNYSKV-BETUJISGSA-N 381.259 3.663 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2cccc(OC)c2)no1 95482504 LZKRCBLPUSTMAO-GOSISDBHSA-N 395.459 3.836 0 40 GHAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 9699813 VODQCARNDXCKLJ-GFCCVEGCSA-N 378.350 3.706 0 40 GHAB O=C(C[C@@H]1OCCc2ccsc21)NCCc1coc(-c2ccc(F)cc2)n1 89793842 QPJXTOCZKBHPHS-KRWDZBQOSA-N 386.448 3.905 0 40 GHAB Cc1cc(C)cc(N(CC(=O)O)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 113881564 VLSRBKOCZXGJKW-UHFFFAOYSA-N 388.272 3.890 0 40 GHAB COC(=O)c1c(C)nc(O)nc1S[C@@H](C)c1nc2ccccc2n1C(F)F 556319569 NUOIGPDDBREQTB-VIFPVBQESA-N 394.403 3.875 0 40 GHAB COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccs4)C2)OC3)c1 306123968 BBTQWNPHZJZRMI-NRFANRHFSA-N 381.501 3.795 0 40 GHAB O=C(Nc1ccccc1)N1CC[C@H]2CCN(C(=O)NCc3ccccc3)[C@H]2CC1 306133371 MJTMLAOYCPTTRM-FPOVZHCZSA-N 392.503 3.915 0 40 GHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2CN(Cc3ccccc3F)C[C@H]21 306138561 SAVKSTMRTRPJMA-WIYYLYMNSA-N 383.444 3.841 0 40 GHAB CC[C@@H](C)NC(=O)COc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 32579007 ZYZLYURDULBXLB-CQSZACIVSA-N 381.432 3.706 0 40 GHAB NC(=O)COc1ccc(Cl)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408558611 RYUBWDPVXSLJIC-QGZVFWFLSA-N 397.283 3.636 0 40 GHAB Cc1cc(Oc2ccccc2C)nc([C@H]2CCCN2C(=O)c2cnn(C)c2C)n1 72384054 KOSZGQDHYYMWPL-GOSISDBHSA-N 391.475 3.905 0 40 GHAB COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2cc3ccccc3o2)c1C 36390745 IDOHHHXDQMVKPI-ZDUSSCGKSA-N 384.432 3.672 0 40 GHAB Cn1cc(-c2ncccc2C(=O)N2CCc3c(cccc3C(F)(F)F)C2)cn1 529887535 AODJJTCENLJVSZ-UHFFFAOYSA-N 386.377 3.699 0 40 GHAB O=C1Nc2ccc(S(=O)(=O)Nc3cc(C4CCCCC4)[nH]n3)c3cccc1c23 532393831 VRKZISLURBFIDJ-UHFFFAOYSA-N 396.472 3.977 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)Nc2ccccc2F)CC1 56908017 DIHCRIDELNSWQJ-UHFFFAOYSA-N 393.466 3.982 0 40 GHAB Cc1cccc(NC(=O)COc2ccc(C(=S)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 409255830 ZURFOKZONKZXFO-IAGOWNOFSA-N 398.528 3.797 0 40 GHAB Cc1ccc(C)c(C(=O)COC(=O)COc2ccc(Br)cc2)c1 32910260 KLZPLIVJLVZWLE-UHFFFAOYSA-N 377.234 3.871 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 61972701 CZFQCSSLSWFQKV-SGTLLEGYSA-N 394.452 3.681 0 40 GHAB OC1=Nc2nc(N3CCOCC3)sc2[C@@H](c2cccc(Br)c2)C1 36360047 PRXRKFAOLBXZTE-GFCCVEGCSA-N 394.294 3.866 0 40 GHAB CC(C)c1nccn1-c1cccc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 72378872 DGQJLOKIKPQJBE-SFHVURJKSA-N 375.476 3.806 0 40 GHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 222996813 NCQVHUJWAWCZGJ-SFHVURJKSA-N 387.476 3.803 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1cccc2ccccc12 225433554 GWAYPYZXJAWFGE-MRXNPFEDSA-N 394.446 3.521 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 44846829 KRMHHCXGZCNGNU-LBPRGKRZSA-N 375.446 3.594 0 40 GHAB CC[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1)c1ccc2c(c1)CCCC2 223129737 KEBHQQWFOPSBOB-FQEVSTJZSA-N 387.501 3.782 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C 223106304 MOGXUXDPYQWDKI-GOSISDBHSA-N 388.895 3.581 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](C)COc2ccc(C)c(C)c2)c(C)c1C 225085310 NVCBUFDKIJIJFM-HNNXBMFYSA-N 377.506 3.675 0 40 GHAB Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc5[nH]ccc5c4)C3)C2)n1 96216212 NMSZLXINRBPLBT-XMMPIXPASA-N 388.515 4.000 0 40 GHAB CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccc(-c2ccccc2)cc1 96521355 NUYYQECMFJLCCX-DLBZAZTESA-N 383.307 3.933 0 40 GHAB Cc1ccc2nc3c(cc(C(=O)N(Cc4ccccc4)C(C)C)n3C)c(=O)n2c1 96347406 QECDCORYYPXUJA-UHFFFAOYSA-N 388.471 3.545 0 40 GHAB CCc1cc(NC(=O)c2c(C)nn(C)c2OC[C@@H]2CCCCO2)ccc1F 585082277 WKAMVZCUUARNFO-INIZCTEOSA-N 375.444 3.630 0 40 GHAB CNc1cc([C@H]2CCCN2C(=O)C2(Cc3ccccc3)CCOCC2)ccn1 257308513 TWYZOMJJGAFMBS-HXUWFJFHSA-N 379.504 3.826 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)c2)c1 260561371 CLACVVFDWUOLGN-XGHQBKJUSA-N 398.528 3.739 0 40 GHAB NC(=O)c1cccc2c1CCN(C(=O)c1ccc(-c3ccc(F)cc3)cc1F)C2 1618789325 HZZFXEIKKSTCBA-UHFFFAOYSA-N 392.405 3.929 0 40 GHAB Cc1ccncc1CC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 666538696 YLDIBGTUCGJVHB-NRFANRHFSA-N 391.540 3.910 0 40 GHAB COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1 672632623 DEOLMZYLJOHPTQ-SCLBCKFNSA-N 385.439 3.938 0 40 GHAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1csc(-c2ccccc2)n1 96120557 PWQBTPRLMOABPS-UHFFFAOYSA-N 395.484 3.685 0 40 GHAB O=C(Cc1ccccc1Cl)NC1CCN(c2nc3cccnc3s2)CC1 390826530 AEAJSZHGVCBTEF-UHFFFAOYSA-N 386.908 3.672 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1ccnn1C)N(C(=O)CCC1CCCC1)CC2 72342732 KURBBGQSRJRWJS-QHCPKHFHSA-N 397.519 3.882 0 40 GHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 1073806921 QZWPYZLFKGLGHO-ABSDTBQOSA-N 398.528 3.739 0 40 GHAB Cn1cc(-c2nc(C(=O)OCc3ccc(F)cc3Br)cs2)cn1 53912718 BLOOHQJSNQZLAM-UHFFFAOYSA-N 396.241 3.802 0 40 GHAB C[C@@H](C(=O)Nc1nc(-c2ccccc2Cl)co1)N1C(=O)c2ccccc2C1=O 79071799 CMVIADVDZZSIMA-NSHDSACASA-N 395.802 3.618 0 40 GHAB CCOC(=O)CSCc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 813282 BWKWLBAROAZXCZ-UHFFFAOYSA-N 398.528 3.991 0 40 GHAB COc1cc(NC(=S)NC(=O)c2cccc(F)c2)ccc1NC(=O)C(C)C 5944604 SCFMLIBBBWAGST-UHFFFAOYSA-N 389.452 3.556 0 40 GHAB Cc1ccc(NCc2nnc3n(C)c(=O)c4ccccc4n23)cc1C(F)(F)F 11705811 ZKMMXICACUQESB-UHFFFAOYSA-N 387.365 3.521 0 40 GHAB Cc1cc(C)c2nc(NC(=O)CCNC(=O)c3ccc(F)cc3F)sc2c1 11807422 HKMZOKWGIISUJR-UHFFFAOYSA-N 389.427 3.950 0 40 GHAB C[C@]1(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)CC(c2ccccc2F)=NO1 12193033 ZERYKTGIFSHPQO-OAQYLSRUSA-N 396.397 3.731 0 40 GHAB CCOc1ccccc1/C=C/C(=O)N1CCC(NC(=O)c2ccccc2)CC1 12998467 CKVBLQPVSPGKKF-OUKQBFOZSA-N 378.472 3.520 0 40 GHAB CCOC(=O)c1c(C)oc2ncn(CC(=O)c3cc(C)c(C)c(C)c3C)c(=O)c12 14641436 SBEDFKDSXFZPNI-UHFFFAOYSA-N 396.443 3.591 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)CCn1c(S)nnc1-c1cccc(C)c1 17971189 LSZZAUCNGKLIAN-OAHLLOKOSA-N 396.516 3.818 0 40 GHAB CCCc1nnc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)n1Cc1ccco1 18082668 ZPPWPABKXZAQDT-GASCZTMLSA-N 376.526 3.754 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)C[C@@H](C)n2nnc3ccccc32)cc1OC 19455244 KJGPCJKZALLNQD-QAPCUYQASA-N 394.475 3.763 0 40 GHAB CCCC(=O)N1CCC[C@](Cc2cccc(-c3ccncc3)c2)(C(=O)N(C)C)C1 19501227 PRONPEDCYARQRF-XMMPIXPASA-N 393.531 3.788 0 40 GHAB COc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)cc1 19553099 ILHIZTOGUBOPLC-GOSISDBHSA-N 395.484 3.874 0 40 GHAB Cc1scc(C(=O)N2CCO[C@@H](c3nc(-c4cccs4)no3)C2)c1C 19561895 FQLVUTZDAQEUBT-CYBMUJFWSA-N 375.475 3.690 0 40 GHAB COc1ccccc1NC(=O)c1cc(C2CCN(C(=O)C3CCCC3)CC2)no1 19571345 YSWMTLFZCJQJQC-UHFFFAOYSA-N 397.475 3.832 0 40 GHAB Cc1ccc(-c2cc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)[nH]n2)cc1 19666434 VHACKICCRRJETP-IBGZPJMESA-N 376.460 3.602 0 40 GHAB COc1ccccc1OCc1nnc(SCC(=O)Nc2cccc(C)c2)o1 19928494 UQLODIDANNOPLR-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB COc1ccc(/C=C/C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1OC 943607 ZJUGUIBLCFOCRG-YRNVUSSQSA-N 392.407 3.918 0 40 GHAB Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(NCCCN2CCOCC2)c1C 35314962 CMZJDWKJFCUWCW-UHFFFAOYSA-N 399.926 3.801 0 40 GHAB COc1ccc(Cl)cc1Nc1nc(C)nc2c1nnn2Cc1ccccc1 4966688 CAVNJVICKLDYQV-UHFFFAOYSA-N 380.839 3.984 0 40 GHAB COc1ccc2oc(=O)c(C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)cc2c1 4745119 HZUHIXGZCVINQX-NSHDSACASA-N 386.787 3.883 0 40 GHAB biogenic CN1CCN(CCc2ccccc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19589490 KKLXDSYEBKDJSQ-VWLOTQADSA-N 399.538 3.924 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 6378402 KTFPZNZWQAYOBC-UHFFFAOYSA-N 376.236 3.935 0 40 GHAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@](O)(COc2ccccc2)CC1 2037913096 QQSHOPWHXITNJI-OAQYLSRUSA-N 391.870 3.844 0 40 GHAB O=C(NC[C@@]1(O)CSCc2ccccc21)c1csc(-c2ccccc2)n1 2087175594 RQXKWWQELGLJOT-HXUWFJFHSA-N 382.510 3.675 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(s1)Cc1ccccc1-2 4325567 VMCAURIFKKSYHS-UHFFFAOYSA-N 384.482 3.517 0 40 GHAB Cc1ccc(C)c(NC(=O)C(=O)NCCSc2nc(-c3ccccc3)c[nH]2)c1 4315912 IHDPMKJPFJJEIV-UHFFFAOYSA-N 394.500 3.541 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCCc2csc(-c3cccc(F)c3)n2)c(C)c1 4375537 SCSOSDINHACRNX-UHFFFAOYSA-N 397.475 3.863 0 40 GHAB COc1ccc(C(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1 4585393 HZMSWLVMKDRBGR-UHFFFAOYSA-N 385.423 3.955 0 40 GHAB Cc1nc(-c2cccc(F)c2)sc1CCNS(=O)(=O)c1ccc(F)cc1 5137239 NZYGBKLQUFZZJK-UHFFFAOYSA-N 394.468 3.918 0 40 GHAB Cc1ccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)nsc3c2=O)cc1 33300031 FJQLWWNEOYFRQM-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB Cc1ccccc1OCC(=O)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 44005502 KDKNINSHRZYIJR-UHFFFAOYSA-N 399.466 3.573 0 40 GHAB Cc1cc(O[C@H]2CCCN(C(=O)CSc3c[nH]c4ccccc34)C2)nc(C)n1 575609886 ROINKDSVRGWULE-INIZCTEOSA-N 396.516 3.737 0 40 GHAB Clc1cnc(N2CCC[C@H](COc3cnccn3)C2)c(Br)c1 2298109317 FVCKSJCLUORHFF-NSHDSACASA-N 383.677 3.583 0 40 GHAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19369499 YTPBYBOXURFVCX-JOCHJYFZSA-N 398.510 3.618 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H](c2nnc3ccccn23)C1 40011921 YPSOUWLXUMVVEX-SFHVURJKSA-N 387.487 3.940 0 40 GHAB COc1cccc([C@@H]2CCCN2C(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 40038974 CHKFLXCWXHIMQD-HKUYNNGSSA-N 382.485 3.862 0 40 GHAB Cc1cc(CNC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)ccc1F 40132200 SHBIXBIXFGZNRK-UHFFFAOYSA-N 387.436 3.603 0 40 GHAB O=[S@@](CCOc1ccc(F)cc1)Cc1nc(-c2ccccc2Cl)no1 32801166 PXPDHKVYVQYUOA-RUZDIDTESA-N 380.828 3.857 0 40 GHAB CC1CCN([C@@H](c2ccc(F)cc2)c2nnnn2CCc2ccccc2)CC1 1330493 KIKDLXBYVIQQNU-NRFANRHFSA-N 379.483 3.876 0 40 GHAB CN(CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1)c1ccccc1 78878022 JFKUFTJEWSHDDN-XMMPIXPASA-N 393.531 3.572 0 40 GHAB C[C@@H](CNC(=O)[C@@H](C)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 22772755 UPGIELPGEYXOKG-RQIGGHQESA-N 391.559 3.626 0 40 GHAB FC(F)(F)c1cccnc1NCCNCc1cnn(Cc2ccccc2)c1 79061155 OMZPPLHCAYRTAU-UHFFFAOYSA-N 375.398 3.547 0 40 GHAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)ccc1O 832338 ZNMUQHXQBXDVCP-IBGZPJMESA-N 388.464 3.685 0 40 GHAB CC(=O)Nc1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1F 23054868 HFNBIIFTQQVKEQ-UHFFFAOYSA-N 377.224 3.892 0 40 GHAB Cc1ccccc1-n1cnnc1SCC(=O)N[C@H](C)CCc1ccccc1 4501173 IJJOIGGMOONSRL-QGZVFWFLSA-N 380.517 3.805 0 40 GHAB COc1ccc(-c2noc([C@H](C)NC(=O)c3cccc(Cl)c3)n2)cc1OC 4998132 GLJSDNARDXPOBA-NSHDSACASA-N 387.823 3.898 0 40 GHAB CCCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2Br)C1=O 6655676 LUKWFIGTTVYVFU-NTUHNPAUSA-N 386.267 3.913 0 40 GHAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1 7148728 PUKSUNJUVJZBBB-UHFFFAOYSA-N 377.629 3.639 0 40 GHAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 7265270 CDZUOXLDTJBNAM-NYSBLLTESA-N 380.532 3.756 0 40 GHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc2nc(C)ccc12 7388843 ODLNFSRUZICVOS-UHFFFAOYSA-N 381.457 3.687 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 24883868 VNKXMBNZLRCZAW-UHFFFAOYSA-N 380.473 3.766 0 40 GHAB CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 24830544 VABHPSLTFNMGTH-UHFFFAOYSA-N 392.480 3.727 0 40 GHAB O=C(CCCOc1ccc(Cl)cc1Cl)N[C@H](Cc1ccccc1)C(=O)O 8615020 OTMVTHCQIOTFSS-MRXNPFEDSA-N 396.270 3.965 0 40 GHAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc1 1303161 NWWWUGGNWXUAPV-IBGZPJMESA-N 381.501 3.744 0 40 GHAB COc1ccc([C@@H]2[C@H](C(=O)NC(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 24972993 CCLYNJLFRVOTIF-IFMALSPDSA-N 396.487 3.713 0 40 GHAB COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2Br)c1C 3285994 BSKBFRCNHAXICR-UHFFFAOYSA-N 394.265 3.554 0 40 GHAB CCN1CCc2nc3ccccc3c(C(=O)Nc3cc(OC)ccc3OC)c2C1 25391686 ZPEJPIIHZAZDGX-UHFFFAOYSA-N 391.471 3.882 0 40 GHAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(F)cc1Br 25849770 UFPSVFZHMSKESB-UHFFFAOYSA-N 391.240 3.867 0 40 GHAB COc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)ccc1OCC(=O)O 9188326 INPWQQYBGQNWIT-UHFFFAOYSA-N 399.512 3.789 0 40 GHAB O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCOc1ccc(F)cc1 26779250 XSMHVGWXWKKZRG-UHFFFAOYSA-N 382.435 3.853 0 40 GHAB CCOC(=O)c1ccsc1NC(=O)COc1ccccc1Br 9656903 GJYQBVGGEWWRCE-UHFFFAOYSA-N 384.251 3.705 0 40 GHAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(C)cc4)c3)nn12 10010196 HCXGOMJFGKTCLE-UHFFFAOYSA-N 393.472 3.985 0 40 GHAB Cc1nc(-c2nn3c(-c4cc(Br)ccc4F)nnc3s2)co1 44893532 QXNGCWCDIKYWOE-UHFFFAOYSA-N 380.202 3.718 0 40 GHAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c(=O)oc2c1 108984382 YLRBYWKHHMIZQV-ZKNHNOBHSA-N 383.488 3.984 0 40 GHAB Cc1noc(C)c1CCC(=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 10214660 PBTCEVMVCQLVTN-UHFFFAOYSA-N 391.884 3.927 0 40 GHAB CN(C)C(=O)[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 58223950 CUGPNELOUIZZGZ-JTQLQIEISA-N 396.331 3.665 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2ccc(F)cc2F)c1 12759412 IXCMHTLSMZCBKD-LBPRGKRZSA-N 388.443 3.698 0 40 GHAB O=c1[nH]c(CSc2nnc(NCCc3ccccc3)s2)nc2ccccc12 12763158 FPJLGQFTFTWVOH-UHFFFAOYSA-N 395.513 3.722 0 40 GHAB CN(C)c1ccc([P@@](=O)(OCc2ccccc2)[C@H](O)c2ccncc2)cc1 2234452 OAMJWCBJGHKXJM-KDYSTLNUSA-N 382.400 3.959 0 40 GHAB Cc1ccc(C(C)C)c(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)c1 20806324 UECGJRCMFMOXME-OAQYLSRUSA-N 386.511 3.819 0 40 GHAB O=C(OCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 3351760 BZOGZKHRVYAMBS-UHFFFAOYSA-N 399.921 3.546 0 40 GHAB CC(C)n1ncc2cc(NC(=O)[C@]34CCC(=O)N3c3ccccc3S4)cnc21 11056013 KHEWKHXUMHMXNV-HXUWFJFHSA-N 393.472 3.580 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCCc3ccccc3C)C2)c1 48353803 HCXNLIDEUOUDKY-NRFANRHFSA-N 378.516 3.823 0 40 GHAB O=C(CSc1ccccc1Br)NC(=O)NCCc1cccs1 29745064 ARFOJMCFCOKAHE-UHFFFAOYSA-N 399.335 3.671 0 40 GHAB CCOc1ccccc1Oc1coc2cc(OCC(=O)NC(C)C)ccc2c1=O 9047472 OKEOUWCIKFBJHX-UHFFFAOYSA-N 397.427 3.887 0 40 GHAB COc1ccc(-c2nc(C(=O)N3CCN(Cc4ccccc4)CC3)cs2)cc1 12995364 RIOQIVHXXDSEEP-UHFFFAOYSA-N 393.512 3.777 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nc2ccccc2o1 5034233 DPGDBEYJWHDNGM-UHFFFAOYSA-N 389.864 3.670 0 40 GHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCC(CN(C)C(C)C)CC3)c12 39563874 FPWOYICZOVPPHR-UHFFFAOYSA-N 385.556 3.593 0 40 GHAB Cc1c(C(=O)NC2CCCCC2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 65251495 SXDBKCXNDWNXDR-UHFFFAOYSA-N 392.463 3.566 0 40 GHAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1 13944895 ALMBZWBZCKGDKI-QGZVFWFLSA-N 393.462 3.899 0 40 GHAB CCOC(=O)c1sc(N(C(=O)/C=C/c2cnn(C)c2C)[C@@H](C)CC)nc1C 13961418 WIXBVQCWPDNCRU-VMPCVLLUSA-N 390.509 3.515 0 40 GHAB O=C(OCc1ccccc1N1CCCCC1)c1cc(N2CCNC2=O)ccc1F 95450767 JPBBUHZALQVCQV-UHFFFAOYSA-N 397.450 3.703 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)nc1C 6542336 VNRWBPCJCVGCFV-UHFFFAOYSA-N 384.461 3.683 0 40 GHAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1cc(=O)c2ccccc2o1 14424081 SMCBCHVTTXBOEG-UHFFFAOYSA-N 376.412 3.718 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1cccc(C)c1 4691104 VQBKHESJBCXBMR-UHFFFAOYSA-N 396.472 3.702 0 40 GHAB O=C(OCc1ccccc1)c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 4618995 YTZFJAYOQJBOQM-UHFFFAOYSA-N 386.400 3.950 0 40 GHAB COC(=O)c1c(NC(=O)[C@@H](C)Sc2ccccc2)sc2c1CCN(C)C2 408563380 MGQFJWLKRVJDRX-GFCCVEGCSA-N 390.530 3.642 0 40 GHAB O=C1CN(C(=O)CCCOc2cccc(Br)c2)c2ccccc2N1 5788090 NWLBSIAIOCGURK-UHFFFAOYSA-N 389.249 3.593 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccccc1C)S2 6812085 ISCBEURCXZPEKT-ZWKOTPCHSA-N 397.479 3.686 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)c1n[nH]nc1Nc1ccc(Cl)cc1 67283675 VESHJXNYFBYCJT-UHFFFAOYSA-N 376.247 3.828 0 40 GHAB C[C@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 15695606 XCQBZXIGIYHBOR-JTQLQIEISA-N 386.320 3.591 0 40 GHAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2CN(Cc3ccccc3F)C[C@@H]21 306125003 CEGZCGAYZJEYKX-UGKGYDQZSA-N 394.471 3.643 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCCC2)o1 15860222 DYJPLFYRKPCXSC-INIZCTEOSA-N 377.282 3.917 0 40 GHAB NS(=O)(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1 16180957 FBVLGKGLAGYCEJ-UHFFFAOYSA-N 386.404 3.518 0 40 GHAB C[C@H](NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O)c1ccccc1 408628666 ZSFBIFCKMRXDDN-INIZCTEOSA-N 392.480 3.740 0 40 GHAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccnn2C2CCCC2)cc1 8090230 URNRUGGGLDQHDB-UHFFFAOYSA-N 396.520 3.927 0 40 GHAB Nc1c(Cl)cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)cc1Cl 69125856 UYSHAAXMHFJLKM-UHFFFAOYSA-N 390.226 3.586 0 40 GHAB Cc1cc(OCC(=O)OCC(=O)N(C)Cc2ccccc2C)ccc1Cl 8276749 YOSSTOAEHFGHPS-UHFFFAOYSA-N 375.852 3.537 0 40 GHAB CCn1nccc1[C@H](C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)C 17077812 LUTZLMQNEHIAQT-ZDUSSCGKSA-N 380.496 3.905 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)o2)c(OC)c1 21571203 UGTLHIZQCOJMAC-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB C[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 17962997 AXXGQGVSPYRUFM-LLVKDONJSA-N 391.254 3.857 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccnn2C2CCCC2)o1 9818877 HNVGCHKJSZSQMO-UHFFFAOYSA-N 399.476 3.788 0 40 GHAB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccccc1F 8748137 AZXCJNFKZZSFNN-OAHLLOKOSA-N 397.427 3.658 0 40 GHAB Cc1c(C(=O)Nc2ccc(-c3ccccn3)cn2)nnn1-c1ccccc1Cl 95977615 UIXIIORCAQHKMC-UHFFFAOYSA-N 390.834 3.938 0 40 GHAB C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)Cn1cc(C(N)=O)c2ccccc21 545905553 UWXFYWDNGWELKG-QRQCRPRQSA-N 375.472 3.570 0 40 GHAB Cc1cc(C)cc(N([C@H](C)C(=O)NC2CCCCCCC2)S(C)(=O)=O)c1 408628589 ZCFLCJLQPKCXRK-QGZVFWFLSA-N 380.554 3.687 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 408606880 MMNNFFQDLKJQIG-UHFFFAOYSA-N 380.897 3.931 0 40 GHAB O=C(c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)N1CCCCC1 33131357 ROYYAHGXBGKUQK-UHFFFAOYSA-N 384.929 3.531 0 40 GHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cn(-c2cccc(Cl)c2)nn1 66089143 YMLQBXZLUTUVRD-UHFFFAOYSA-N 380.757 3.870 0 40 GHAB O=C(CCCNC(=O)NC1CCCCC1)Nc1cccc(Br)c1 32900240 RWMJGRZRXSRUPU-UHFFFAOYSA-N 382.302 3.800 0 40 GHAB O=C(Nc1ccn(Cc2cccc(F)c2)n1)[C@H]1CCCN1Cc1ccccc1 32611680 JEKOVFIZMGEQTB-HXUWFJFHSA-N 378.451 3.674 0 40 GHAB COc1cccc(-c2cc(CNC(=O)c3sc(-n4cccc4)nc3C)no2)c1 38582159 COWKJERKBCVDMW-UHFFFAOYSA-N 394.456 3.836 0 40 GHAB Cc1cccc(CCC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1 40074119 KUZUKMRHSFZEDG-OAQYLSRUSA-N 386.923 3.771 0 40 GHAB COc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44907045 RMCSYEBZAPRLRB-HXUWFJFHSA-N 384.495 3.795 0 40 GHAB CN(C(=O)NCCc1cc2ccccc2o1)[C@@H]1CCCN(c2ccccc2)C1=O 524805677 GZABAOZXWACWBB-HXUWFJFHSA-N 391.471 3.812 0 40 GHAB COc1ccccc1CN(C)S(=O)(=O)c1cc(C(C)C)c(OC)cc1C 225827788 KRVORHYSZBASGU-UHFFFAOYSA-N 377.506 3.956 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 225183600 TVPKATQCEVDIOV-AWEZNQCLSA-N 376.909 3.595 0 40 GHAB COc1ccc2[nH]cc(CCNC(=O)c3ccc(Nc4ncccn4)cc3)c2c1 85879877 UWOBOTCAJGSPRZ-UHFFFAOYSA-N 387.443 3.683 0 40 GHAB biogenic CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1 224554793 TYZDQTUHFZJKSF-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C 223456404 MEKMAFBBEHTZFP-WOJBJXKFSA-N 377.517 3.605 0 40 GHAB CC(=O)Nc1ccc(CC(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1 40107126 VNSDVODHGXWLES-SFHVURJKSA-N 393.531 3.736 0 40 GHAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)COc1cccc2c1CCCC2 225784021 NRHIQNLFQHGLAZ-GOSISDBHSA-N 378.516 3.902 0 40 GHAB O=c1c2c(-c3cccc(Cl)c3)n3ncnc3nc2ccn1Cc1ccccc1 40397995 UHMFRBOVELNELS-UHFFFAOYSA-N 387.830 3.808 0 40 GHAB Cn1cc(CN2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)cn1 96099926 VFIXBEIWOODIOF-UHFFFAOYSA-N 386.503 3.748 0 40 GHAB C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCCC[C@H]1c1nnc(CN(C)C)o1 583621962 ZSUDGINTHBCUDI-VSOYFRJCSA-N 388.899 3.942 0 40 GHAB CC(C)CNC(=O)N1CCC[C@H](C(=O)N2Cc3ccccc3C3(CCC3)C2)C1 585082224 HQZQXNUWZAOEIY-IBGZPJMESA-N 383.536 3.528 0 40 GHAB CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2n[nH]c3ccccc23)n1 257301389 RYHDCJDAINKZOR-KRWDZBQOSA-N 377.492 3.651 0 40 GHAB C[C@]1(O)CN(CC(=O)Nc2cccc3ccccc23)CC[C@@H]1Oc1ccccc1 257294731 QVKYCHMKZWFIGY-UPVQGACJSA-N 390.483 3.683 0 40 GHAB Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1 257344424 ZXDSICYMYBNFNT-RJRNSMGGSA-N 389.455 3.967 0 40 GHAB COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@H](n4ccnc4)C3)c2c1 676876592 FUKAYMLXZMSNBR-INIZCTEOSA-N 376.460 3.795 0 40 GHAB O=C(c1cncc(F)c1)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1775996117 WCWSMUOYNURNBS-LBPRGKRZSA-N 383.345 3.566 0 40 GHAB Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 40143760 QVTHFDLCVAGZOE-MRXNPFEDSA-N 393.487 3.781 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN(CC(F)(F)F)CC1 186991555 DAKZCNWHYYJJNX-UHFFFAOYSA-N 392.849 3.888 0 40 GHAB Cc1nccn1CCC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615160041 WZPMPSPUXYGQAX-PMACEKPBSA-N 384.499 3.769 0 40 GHAB O=C(COC(=O)c1ccccc1C(F)(F)F)NC12CC3CC(CC(C3)C1)C2 5111388 OXPJOQJDMVTQAE-UHFFFAOYSA-N 381.394 3.947 0 40 GHAB Cc1c(C)n(CCC(=O)N[C@H](C)Cn2c(=O)oc3ccccc32)c2ccccc12 12142011 JCYATZMWEIPJBI-OAHLLOKOSA-N 391.471 3.761 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 14833524 KEVXVUAHEJXNMG-KQPPXVQYSA-N 384.863 3.901 0 40 GHAB O=C1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)n2c(nc3ccccc32)N1 17076740 IJCIROWZVYDTLD-CQSZACIVSA-N 375.215 3.865 0 40 GHAB O=C(CN1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)N1CCCC1 19690273 NRWRAYVWSVWJKZ-UHFFFAOYSA-N 381.495 3.613 0 40 GHAB CCn1cc(CN2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)cn1 19706250 GETDBSQGUIXOKR-OAQYLSRUSA-N 394.567 3.891 0 40 GHAB CNc1nc([C@@H]2CCCCN2CC2CCCCC2)nc2c1CN(C(C)=O)CC2 19711614 HREWOHXEDYNDTN-FQEVSTJZSA-N 385.556 3.530 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C)CC2)on1 100743956 VKXXBBFFXCIHKQ-SIXLDLHFSA-N 397.523 3.552 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccncc2)C(=O)O)[nH]1 7342184 DXNPDOYERWJTCY-ZSOIEALJSA-N 388.836 3.747 0 40 GHAB CCc1ccc2c(c1)c1nnc(SCC(=O)Nc3cccc(O)c3)nc1n2C 35312709 XDVXCSHSYQAFNS-UHFFFAOYSA-N 393.472 3.515 0 40 GHAB CCc1ccc2c(c1)c1nnc(SCC(=O)Nc3ccc(F)cc3)nc1n2C 35312712 YJSYHXJWUWXOMQ-UHFFFAOYSA-N 395.463 3.949 0 40 GHAB CCOC(=O)CSc1nnc(-c2ccccc2OC)n1CCc1ccccc1 5362549 WVENOKRMHHHPGN-UHFFFAOYSA-N 397.500 3.852 0 40 GHAB Cc1cc(C)nc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)n1 1888853374 NEWGXWYRNAWGDK-UHFFFAOYSA-N 379.430 3.860 0 40 GHAB O=C(Nc1cc(F)ccc1F)N1CCC(c2nc(-c3ccncc3)no2)CC1 1888906746 KXKOCFBJQUIAQW-UHFFFAOYSA-N 385.374 3.821 0 40 GHAB CC(=O)N1CCN(Cc2csc(C)n2)C[C@H](Cc2ccc3ncccc3c2)C1 2037846428 REKDAEMCEWJXCU-IBGZPJMESA-N 394.544 3.523 0 40 GHAB O=C1C[C@H](c2ccc(F)c(Br)c2)c2cnn(Cc3ccco3)c2N1 85411923 UILCFIILYCLJCP-GFCCVEGCSA-N 390.212 3.900 0 40 GHAB Cc1ccc(-n2nc3c(c2NC(=O)c2cc(C)cc(C)c2)C[S@](=O)C3)cc1 4224528 PHQOGYLMWLCIRU-HHHXNRCGSA-N 379.485 3.812 0 40 GHAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc3c2N1CC3 5153545 WQUDQULTCSIXDQ-UHFFFAOYSA-N 397.283 3.630 0 40 GHAB COC(=O)c1ccc(C)c(-n2c(N)c(C(=O)NC3CCCC3)sc2=S)c1 17121465 BSGMSBQPHXLNBR-UHFFFAOYSA-N 391.518 3.618 0 40 GHAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1NCc1ccccc1Cl 17297324 VRSUTNJPCCIMPV-UHFFFAOYSA-N 397.862 3.983 0 40 GHAB Cc1ccc(C)c(N2CCN(C(=O)c3ccnc(O[C@H]4CCSC4)c3)CC2)c1 225722114 UVAAVJMQRXOIGY-IBGZPJMESA-N 397.544 3.545 0 40 GHAB CCOC(=O)CSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 4078399 QYZHJGFBYKXUJW-UHFFFAOYSA-N 392.289 3.752 0 40 GHAB CCOC(=O)CSc1nnc(NC(=O)c2cc(Cl)cc(Cl)c2)s1 4078397 DRRMHZFOMAMPQX-UHFFFAOYSA-N 392.289 3.752 0 40 GHAB O=C(NCC1(c2ccccc2)CC1)C1(S(=O)(=O)c2ccccc2)CCCC1 40042911 ZFHXMPMECYWSIY-UHFFFAOYSA-N 383.513 3.621 0 40 GHAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(NC(=O)c2ccco2)c1 40145669 KKELDIXPKSTJPN-GOSISDBHSA-N 395.463 3.965 0 40 GHAB O=S(=O)(Nc1ccc2oc(C3CC3)nc2c1)c1ccc2c(c1)OCCCO2 32097271 GQXQVWZIEYUSLA-UHFFFAOYSA-N 386.429 3.667 0 40 GHAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc2c(c1)OCCO2 32678966 BSRNAFKNMGIZQE-CQSZACIVSA-N 392.411 3.794 0 40 GHAB C[C@H](Oc1cccc(C=O)c1)C(=O)Nc1ccc(I)cc1 21375438 URVPOIGKLHLPCN-NSHDSACASA-N 395.196 3.510 0 40 GHAB CC(C)(CNC(=O)c1cn(Cc2ccccc2)c2ccccc12)N1CCOCC1 32819421 ASSSCVRWZQPFJN-UHFFFAOYSA-N 391.515 3.530 0 40 GHAB CC[C@H]1CN(c2ncccc2C(=O)Nc2ccc(Br)cc2)CCO1 32932697 OBFZVTMQABYZPE-HNNXBMFYSA-N 390.281 3.712 0 40 GHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3cnn(-c4ccccc4)c3)o2)cc1 21997809 OMMPCEBADFGEIH-CQSZACIVSA-N 390.399 3.849 0 40 GHAB CSc1ccc(CN(C)C(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1 21914937 ZNBMRVZSOFETGO-IBGZPJMESA-N 388.508 3.961 0 40 GHAB O=C(c1occc1COc1ccccc1)N1CCC(OC[C@H]2CCCO2)CC1 79049483 HZHBQVYIBDTOAM-HXUWFJFHSA-N 385.460 3.659 0 40 GHAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 2486670 VRJYAOSQBPBCPN-HTEOGMQZSA-N 380.878 3.986 0 40 GHAB O=C(Nc1ccc(F)cc1F)NC1(C(=O)NCc2ccco2)CCCCC1 4982226 UDLMUCNZJLAEEN-UHFFFAOYSA-N 377.391 3.699 0 40 GHAB CCCN1C(=O)S/C(=C/c2cc(Br)c(O)c(OCC)c2)C1=O 6654758 MTDGMHTVANTLGP-XYOKQWHBSA-N 386.267 4.000 0 40 GHAB Cc1cc(OCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)ccc1Cl 6903793 ZAQGOMAKVJSZDZ-LJQANCHMSA-N 387.863 3.764 0 40 GHAB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)c1ccccc1 7881577 OOCWHLQRQCFAMC-QAPCUYQASA-N 385.847 3.898 0 40 GHAB C[C@@H]1Cc2cc(C(=O)N3CCCCCC3)ccc2N1S(=O)(=O)c1ccccc1 10326099 GOYUPPJKKHAPEW-QGZVFWFLSA-N 398.528 3.843 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10364506 QXBCZCKUDXJKKT-AWEZNQCLSA-N 394.924 3.835 0 40 GHAB COCCOC(=O)Nc1cccc(NCC(=O)Nc2cccc(Cl)c2)c1 58180549 JAFPAWQHJVYBEJ-UHFFFAOYSA-N 377.828 3.586 0 40 GHAB O[C@]1(c2ccc(Br)cc2)CN2C=CC=CC2=[N+]1Cc1ccccc1 1302129 AYFWBBXNOPDNHL-FQEVSTJZSA-N 382.281 3.605 0 40 GHAB O=C(COC(=O)c1ccccc1F)Nc1ncc(C(F)(F)F)cc1Cl 3260040 JFGCJFVDRRSFHL-UHFFFAOYSA-N 376.693 3.688 0 40 GHAB O=c1c(Cl)c(Cl)cnn1CN1CCC[C@@H]1c1nc2ccccc2s1 25666029 RIFVRMZNQGXOEY-GFCCVEGCSA-N 381.288 3.954 0 40 GHAB O=C(NCCc1cccs1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 25696034 PRSOIYLZXFSLFF-UHFFFAOYSA-N 390.464 3.517 0 40 GHAB CC(C)c1ccc(/C=C/C(=O)N[C@H]2CCCC[C@H]2N2C(=O)CSC2=O)cc1 28284094 REOTXWRPBBFBFK-HZOVXUMNSA-N 386.517 3.946 0 40 GHAB CC(=O)Nc1ccc(C(=O)CSc2nnc3ccc4ccccc4n23)cc1 1924235 HHHRLWXBBVUQGY-UHFFFAOYSA-N 376.441 3.816 0 40 GHAB Cc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1NS(C)(=O)=O 116828084 ZGKWZHNHXFOIAZ-UHFFFAOYSA-N 388.533 3.853 0 40 GHAB CCOC(=O)CN(C(=O)CSc1ccc2ccccc2n1)c1ccccc1 10140683 HTDKVRYVTMKJQT-UHFFFAOYSA-N 380.469 3.923 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(=O)N1CCCCC1 27916867 PFGWENIHAXOFJL-PKNBQFBNSA-N 378.428 3.693 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](C)C(=O)Nc1ccc(Cl)cn1 12770004 YXIYIIXGHDPPBG-AWEZNQCLSA-N 383.883 3.654 0 40 GHAB CC[C@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 22327151 GRTZRJXLVKRQBF-IBGZPJMESA-N 388.533 3.645 0 40 GHAB NC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1 10384007 ZPZJEWAGHHNPGX-DLBZAZTESA-N 394.500 3.760 0 40 GHAB COc1ccc(OCc2noc(CN3CCC[C@@H]3Cc3ccccc3)n2)cc1 12755809 CTOIQTAYNIEBDM-GOSISDBHSA-N 379.460 3.864 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=O)Cc3cn(C)c4ccccc34)sc2c1 58427540 PCLYDIHMVIMNKN-UHFFFAOYSA-N 378.457 3.928 0 40 GHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(C)cs1 3346980 AREMRRSZKHFOKO-ZDUSSCGKSA-N 383.926 3.595 0 40 GHAB COc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)c(Cl)c2)N(C)C)cc1 3354223 PVBZIRUGTAJEDW-GOSISDBHSA-N 381.303 3.964 0 40 GHAB Fc1cccc(C=C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 36395226 LZTFJMUKHFQSOL-UHFFFAOYSA-N 377.345 3.966 0 40 GHAB CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1)CC(C)C 45537901 FJLLCZYAQLOCMU-JXFKEZNVSA-N 376.545 3.762 0 40 GHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(SC)cc1 2432910 WIVZRQNREZCUCM-LJQANCHMSA-N 392.484 3.989 0 40 GHAB O=C(Nc1ccccc1F)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195687 HXFXLZWAMPNJQI-UHFFFAOYSA-N 382.844 3.661 0 40 GHAB CC(C)CCC[C@H](C)NC(=O)CNC(=O)N1CCc2c([nH]c3ccccc23)C1 12297088 PMPAZQCCKQKNSX-INIZCTEOSA-N 384.524 3.567 0 40 GHAB biogenic Cc1ccc2nc(C)c(C(=O)N3CCN(Cc4ccccc4F)CC3)cc2c1 12912184 FJRNJRGWYJKIFF-UHFFFAOYSA-N 377.463 3.949 0 40 GHAB C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1ccccc1Cl 12901129 OSHSSXWSYXQJQD-OLZOCXBDSA-N 392.908 3.542 0 40 GHAB COc1ccc(OC)c(-n2cc(C(=O)O)c3c2[C@@H](c2ccccc2)CC(=O)N3)c1 49543365 PAXHOVIRMBAOQT-OAHLLOKOSA-N 392.411 3.667 0 40 GHAB biogenic O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)[C@H](O)c1ccc(F)cc1 49625228 CSXCFLIOJGWGKJ-NHCUHLMSSA-N 389.430 3.836 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1cccc2ccccc12 6083634 LPSHZEUFQHTMNI-UHFFFAOYSA-N 390.411 3.523 0 40 GHAB O=c1[nH]c(CSc2nc(C3CC3)n(-c3ccccc3)n2)nc2ccccc12 6105374 FUQOSWYQTRMWIJ-UHFFFAOYSA-N 375.457 3.674 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 9237233 QQLTZVPOVWVYOW-RBUKOAKNSA-N 393.516 3.910 0 40 GHAB C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2c(=O)[nH]1 6369066 UOQCQQDSSXFMLR-LLVKDONJSA-N 376.334 3.789 0 40 GHAB Cc1ccnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccccn2)c1 5345001 SXUGLIRXPINEDU-IBGZPJMESA-N 387.370 3.780 0 40 GHAB CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(C)c(C)cc1C)c1ccc(C)cc1 4594068 TZZWTKHCGGTLTI-LJQANCHMSA-N 389.517 3.893 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2)cc1 5421012 GBNJCQRUJPDHAK-UHFFFAOYSA-N 398.484 3.969 0 40 GHAB CCn1c(SCc2c(F)cccc2Cl)nc2cc(S(N)(=O)=O)ccc21 6589409 GEBOAHHJBWGNKW-UHFFFAOYSA-N 399.900 3.788 0 40 GHAB COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccccc1F 4643785 MBCQVFDVIQUHAS-FQEVSTJZSA-N 381.407 3.503 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c(I)c2)c1C 6646695 MWBSXGSPAWZERR-UHFFFAOYSA-N 396.228 3.999 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(O)c(OC)c1 4742002 AYEBUALJSZOTIE-IBGZPJMESA-N 379.416 3.603 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nncn2-c2ccccc2F)c1 4890406 QBWBPGXKMGTHOY-ZDUSSCGKSA-N 384.436 3.728 0 40 GHAB Cc1cc(F)ccc1-n1nnc(-c2nsc(NC(=O)c3ccccc3)n2)c1C 6914396 CMDBBYZAFCEGDW-UHFFFAOYSA-N 394.435 3.794 0 40 GHAB C[C@H](NC(=O)c1ccccc1NC(=O)CSc1ncccn1)c1ccccc1 6912809 BTRMUTIRKGDPAF-HNNXBMFYSA-N 392.484 3.698 0 40 GHAB Cc1cccc(N(C)C(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)c1 67237820 ZLYFIBWVYMQDGM-UHFFFAOYSA-N 398.532 3.753 0 40 GHAB O=C(CSc1nncn1-c1ccccc1F)c1ccc2c(c1)OCCCO2 7120668 UYUUZYBKEXXKGO-UHFFFAOYSA-N 385.420 3.543 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 7325320 IMGDRBJBABSBQQ-UHFFFAOYSA-N 388.470 3.706 0 40 GHAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)cc1 7413429 JGZFKBNSIQCYAU-CQSZACIVSA-N 387.432 3.634 0 40 GHAB O[C@@H](CNCc1ccc2c(c1)OCO2)COc1ccc(-c2ccccc2)cc1 8132568 GOHBRFCNWFLFKH-FQEVSTJZSA-N 377.440 3.612 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2ccc(Br)c(OC)c2)cc1 8132608 AKRVHXCUVQXKNL-UHFFFAOYSA-N 386.267 3.657 0 40 GHAB O=C(CC1(CC(=O)N2CCOCC2)CCCC1)Nc1ccc(F)c(Cl)c1 8328398 UVHFKJAVGNFTJV-UHFFFAOYSA-N 382.863 3.617 0 40 GHAB COc1ccc(C(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2C)cc1 8388765 NNNWIRJHBARQDT-CQSZACIVSA-N 383.473 3.939 0 40 GHAB CCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCCCC3)c3ccccc23)C1=O 409140150 FAEDFZUJJTXPTH-PDGQHHTCSA-N 397.500 3.710 0 40 GHAB CCOc1ccccc1NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 8708952 BUGRNOWWAKNRKG-UHFFFAOYSA-N 394.518 3.574 0 40 GHAB CO[C@H](CNC(=O)[C@@H](NC(=O)c1cccs1)C(C)C)c1ccc(Cl)cc1 72296782 OPMQIQVKIGBKCV-WBVHZDCISA-N 394.924 3.660 0 40 GHAB CCC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)OC 95983830 OBIDYMSTPFHGDC-LJQANCHMSA-N 377.444 3.611 0 40 GHAB COc1ccccc1NC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 32912669 PPMFKESMSAUAGA-UHFFFAOYSA-N 396.535 3.728 0 40 GHAB CC(=O)OCc1ccc(CN2C[C@@H]3[C@@H](CCC[C@]3(O)c3ccc(F)cc3)C2)o1 36740026 WSMQRFJVQZNWBS-USCONSEESA-N 387.451 3.602 0 40 GHAB CCc1cc(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)on1 72362964 HIGWEJNASFDVNX-OAHLLOKOSA-N 378.432 3.839 0 40 GHAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 125626547 WGDNTWWHRSMHTN-UHFFFAOYSA-N 382.441 3.639 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)n1nc2c(cc1=O)CO[C@@H]2C 72342389 DZQQZDCDZUXDCK-LSDHHAIUSA-N 375.428 3.701 0 40 GHAB Cc1cc(S(=O)(=O)N(C)Cc2ccccc2Cl)ccc1N1CCCC1=O 223885629 CTGUUXUPEHFYSI-UHFFFAOYSA-N 392.908 3.596 0 40 GHAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(Oc2ncc(F)cn2)CC1 1180916629 VPBPXNCKRLFMRF-UHFFFAOYSA-N 397.372 3.637 0 40 GHAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc2ccccc2c1 225095744 AUSWVGSPTBTEPN-HNNXBMFYSA-N 398.484 3.642 0 40 GHAB C[C@H](c1ccc(F)cc1)N1CC[C@H](Nc2cccc([C@@H]3CCC(=O)N3)c2)C1=O 568491854 UDVSPEUENVBPKU-UAOJZALGSA-N 381.451 3.551 0 40 GHAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(O[C@@H]2CCSC2)nc1 225711922 ASHGCIZBODTQMR-CQSZACIVSA-N 384.486 3.737 0 40 GHAB CCN(c1ccc(C(=O)Nc2cccc(SC)c2)cc1)S(=O)(=O)CC 222394608 BJFPVUOQDGNJLL-UHFFFAOYSA-N 378.519 3.837 0 40 GHAB CN1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 226259285 LEAJVPXXWKMQPL-UHFFFAOYSA-N 379.291 3.580 0 40 GHAB O=C(O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225058290 XMDQIMAUQSOSKL-UHFFFAOYSA-N 393.823 3.912 0 40 GHAB Cc1ccc(NC(=O)N2CCN(c3ccc(-n4cccc4)nn3)CC2)cc1Cl 77101378 PPSKEDBHQSAIKY-UHFFFAOYSA-N 396.882 3.583 0 40 GHAB COc1ccc(CNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225314905 QLVJANRGGDLNNQ-UHFFFAOYSA-N 383.517 3.808 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 223469004 JAHQUTURBVCYJQ-LJQANCHMSA-N 396.531 3.880 0 40 GHAB Cc1ccc(C)c(OCc2nnc(SCC(=O)c3ccc(O)cc3O)o2)c1 20897796 LIKCZTSRRYYOJH-UHFFFAOYSA-N 386.429 3.652 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H]2CCc2cncc(-c3c(C)noc3C)n2)cn1 257316705 VGQMJDDRHLIVEW-LJQANCHMSA-N 391.475 3.689 0 40 GHAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)c3ccc(F)cc3)[C@@H]1CCC[C@@H](O)[C@@H]2O 257284079 PBEDVJYFIVHCIQ-WKHGPKRUSA-N 383.463 3.694 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257199825 AAYJAOFIQOZEJG-INIZCTEOSA-N 395.434 3.828 0 40 GHAB Cc1cnc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)cn1 257341792 ZLZNMIMFLZSPTN-IBGZPJMESA-N 380.423 3.870 0 40 GHAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc1 257203871 ARZQGDXRJGVZMY-GOSISDBHSA-N 397.500 3.922 0 40 GHAB COC(=O)C[C@@H](c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O)C(C)C 253409183 LNFHQFAEBSFTPR-GOSISDBHSA-N 396.487 3.889 0 40 GHAB biogenic O=C(O)c1cccc(OCCN2CCC(c3nc4c(s3)CCCC4)CC2)c1 652435509 NSTOJXSBGXOTID-UHFFFAOYSA-N 386.517 3.979 0 40 GHAB O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)[C@H]1CC[C@@H](C2CC2)N1 653086175 JDRFDGKWOXLSCA-QWHCGFSZSA-N 379.432 3.881 0 40 GHAB O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)c1ccccc1-n1cnnn1 1538240822 YGGCVXCYMFMUJI-UHFFFAOYSA-N 375.363 3.846 0 40 GHAB COc1c(C)cccc1C[C@@H](O)C1CCN(C(=O)OCc2ccccc2)CC1 1569985966 TXAMWBADYMYJEJ-OAQYLSRUSA-N 383.488 3.956 0 40 GHAB COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 5184769 TUQYVNVZUIZNQN-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc(C)c1Cl 14000148 BDVUNSFHYQHUCT-ZDUSSCGKSA-N 387.867 3.553 0 40 GHAB CN(c1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1)S(C)(=O)=O 14398849 NUTYGOZBAFHLFH-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2OC)CC1 19901820 CVVVPKJABJVSLX-PMACEKPBSA-N 398.547 3.771 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1 5948936 RTVONPOGUQPFFL-UHFFFAOYSA-N 394.294 3.678 0 40 GHAB O=C1[C@H]2[C@@H]3CCCN3[C@H](c3ccc4ccccc4n3)[C@@H]2C(=O)N1c1ccccc1 33821677 RKOONEMLJYTHIL-FNAHDJPLSA-N 383.451 3.560 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)N(C2=NCCCS2)c2ccccc2F)cc1 35313193 ORLCXFYYWYVGBO-UHFFFAOYSA-N 392.477 3.717 0 40 GHAB C=Cn1cc[n+](C(=C(Cl)Cl)/C(=C2\Oc3cccc(C)c3N2O)[N+](=O)[O-])c1 4475637 QCTWYNJDNUCZMB-JQIJEIRASA-N 396.210 3.522 0 40 GHAB Cc1cc2nc([C@@H]3CCCN(Cc4ccc(OC(C)C)cc4)C3)cc(N)n2n1 12667557 FNFWEPCOBCHDLN-GOSISDBHSA-N 379.508 3.787 0 40 GHAB C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)OCCO2 18109616 LOVFECRUJQONFF-CQSZACIVSA-N 392.411 3.794 0 40 GHAB COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)O)c1OC 5017758 QGRQUNJDKLUDDU-SFHVURJKSA-N 396.443 3.636 0 40 GHAB COc1cc(CCC(=O)OCC(=O)c2ccc3c(c2)CCC3)cc(OC)c1OC 5692921 YOMJMLPOULJGAE-UHFFFAOYSA-N 398.455 3.560 0 40 GHAB O=C1C[C@@H](c2ccc(F)c(Br)c2)c2cnn(Cc3ccco3)c2N1 85411920 UILCFIILYCLJCP-LBPRGKRZSA-N 390.212 3.900 0 40 GHAB O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 4107174 JFIQOULMBGDRCU-UHFFFAOYSA-N 387.395 3.842 0 40 GHAB O=C(CSc1nnc2ccc(-c3ccccc3)nn12)Nc1ccc(F)cc1 5167288 AEJSVCSKKJNWJF-UHFFFAOYSA-N 379.420 3.661 0 40 GHAB O=C(CCCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccc(F)cc1 12440873 WEXCJEZQUHIPIF-UHFFFAOYSA-N 399.853 3.799 0 40 GHAB CCc1ccc(NC(=O)NCCCn2nc(-c3ccccc3)ccc2=O)cc1 13800404 TWKHTNFZVNNRFV-UHFFFAOYSA-N 376.460 3.685 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575616511 JTNKJYPZSXHQSI-FMQWLBJXSA-N 393.874 3.927 0 40 GHAB CC(C)(C)C(=O)NCCC(=O)Nc1ccc(N2CCCCC2)c2ccncc12 30013367 AAVRCZUWKAIQDW-UHFFFAOYSA-N 382.508 3.716 0 40 GHAB O=C(CCn1cnc2ccccc2c1=O)Nc1nc(-c2cccs2)cs1 32492194 IAKIBSKLTBGKMV-UHFFFAOYSA-N 382.470 3.610 0 40 GHAB O=C(CSc1ccc(F)c(F)c1)Nc1cccnc1N1CCSCC1 51989303 OBSCITPBAGUAKT-UHFFFAOYSA-N 381.473 3.644 0 40 GHAB Cc1cccc(C(=O)N[C@@H](C(=O)OCc2cn3cc(Cl)ccc3n2)C(C)C)c1 32910640 XYHJDOVVNUKKON-LJQANCHMSA-N 399.878 3.794 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)[C@@H](C)C(=O)NC1CCCC1 32929793 ZOCVZRQNLUGUOP-INIZCTEOSA-N 379.566 3.963 0 40 GHAB COc1cccc(C(=O)COC(=O)c2[nH]c3ccccc3c2Br)c1 32929976 BDLLPRNEIJEZHN-UHFFFAOYSA-N 388.217 3.979 0 40 GHAB COC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccco2)sc2c1CCCC2 849481 JVHPESIBIRZOMI-CMDGGOBGSA-N 390.486 3.533 0 40 GHAB COc1ccc(OC)c(C(=O)CSc2nnc(COc3ccccc3)o2)c1 875878 CUMFRNJBPZVRTN-UHFFFAOYSA-N 386.429 3.641 0 40 GHAB COc1ccc(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 882862 HNZLGDQGAVVOGJ-UHFFFAOYSA-N 376.441 3.799 0 40 GHAB O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@H](c2cccnc2)O1 1027088 AOYAKMISEMNJLY-UNMCSNQZSA-N 376.412 3.632 0 40 GHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)N2C(=O)CCSC2=N1 2502051 KXOPRVYHIDGKFX-QGZVFWFLSA-N 376.453 3.675 0 40 GHAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NC[C@@H]1CCCO1 2617957 CAFXKAAYWHWILM-AWEZNQCLSA-N 385.514 3.746 0 40 GHAB CC(C)c1ccc(-c2csc(NC(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)O)n2)cc1 2763005 QGYBQIBQXQSKFO-YVSFHVDLSA-N 386.473 3.750 0 40 GHAB COc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 2767847 CSDFOWKONDUSNS-UHFFFAOYSA-N 378.222 3.596 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1C 3381074 QZFWIZSNTOUCDD-UHFFFAOYSA-N 396.411 3.648 0 40 GHAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCc3ccccn3)c(C)c12 4000453 RVOJRBDWLMIYEM-UHFFFAOYSA-N 376.412 3.718 0 40 GHAB biogenic Cc1cccc(NC(=O)CSc2nnc(NC(=O)Cc3ccccc3)s2)c1 4077817 UOUZMCQEGHHRRF-UHFFFAOYSA-N 398.513 3.759 0 40 GHAB COc1ccc(OC)c(-c2cc3ccc(OCC(=O)OC(C)C)cc3oc2=O)c1 4084368 GVPZBVILTANEJE-UHFFFAOYSA-N 398.411 3.808 0 40 GHAB biogenic Cc1nc2cc(C(=O)OCC(=O)N3CCC[C@H](C)C3)ccc2n1-c1ccccc1 4289382 NFJREJLQVGSNEV-INIZCTEOSA-N 391.471 3.749 0 40 GHAB Cc1ccccc1NC(=O)CSc1ccc2nnc(-c3cccs3)n2n1 4326576 ADEIQWRCBIOWKU-UHFFFAOYSA-N 381.486 3.892 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)C1 5043213 BTIZOWQEVBRTHP-IAGOWNOFSA-N 379.456 3.579 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 5118438 MPEJBYBSSDQNKF-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cccc(Cl)c1 5298178 NFLYUQITEKEWDT-UHFFFAOYSA-N 384.819 3.811 0 40 GHAB C[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(Cl)cc1Cl 5512506 XKFABGQFQLYROU-JTQLQIEISA-N 376.243 3.731 0 40 GHAB CCOC(=O)c1c(=N)n(C(=O)c2ccccc2)n2c(-c3ccccc3)csc12 5796723 JSTHKBHXLUDKLK-UHFFFAOYSA-N 391.452 3.814 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)Nc2ccc(F)c(F)c2)c1 5983894 OIOWNTFNDDJIGG-UHFFFAOYSA-N 377.387 3.957 0 40 GHAB Cc1ccc(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)cc1C 6032674 ATOGCSQYYNYGFC-UHFFFAOYSA-N 383.444 3.578 0 40 GHAB O=C(NCc1cccc(CNC(=O)c2ccccc2F)c1)c1ccccc1F 6251758 UJGJQINMTPQVQZ-UHFFFAOYSA-N 380.394 3.825 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@H](C)N1c2cccc3cccc(c23)S1(=O)=O 6302646 HTLRMDJRPQTBKN-HNNXBMFYSA-N 380.469 3.993 0 40 GHAB Cc1cc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)ccc1Br 6328219 CMLHBDFZMNMLRV-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1ccccc1C 6376252 HBDBCWPGGOPYBJ-UHFFFAOYSA-N 394.393 3.880 0 40 GHAB COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)NC4CC4)ccc23)cc1 6623801 NYSWMDVOIOZBRW-CYBMUJFWSA-N 379.412 3.515 0 40 GHAB biogenic O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NC1CCCCC1 6649019 VBBZLMRDUGFQJO-UHFFFAOYSA-N 392.834 3.943 0 40 GHAB Cc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCO)cc1 6743219 JSPODLAHOHYBIS-QFIPXVFZSA-N 391.471 3.635 0 40 GHAB CCc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC)cc1 6752843 BVOBPSWVCDLFNE-JOCHJYFZSA-N 391.471 3.926 0 40 GHAB C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)C(=O)NC1CC1 6886591 PSDYIWIPANTKJV-LBPRGKRZSA-N 399.903 3.798 0 40 GHAB COc1ccc(CN(C(=O)CSc2nc3ccc(OC)cc3[nH]2)C2CC2)cc1 7240561 NBYAVADHDFRDJE-UHFFFAOYSA-N 397.500 3.863 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1Br 7706144 SWAFABOCONQZKQ-CYBMUJFWSA-N 385.265 3.863 0 40 GHAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)[C@H]2CC=CCC2)c1 7814189 JKWNPMPKZDTPKB-HNNXBMFYSA-N 386.473 3.791 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 7988813 CUPCRUMSIFNEGE-OAQYLSRUSA-N 379.460 3.830 0 40 GHAB CC(=O)N[C@H]1C(=O)N(CCCOc2ccc(C(C)(C)C)cc2)c2ccccc21 8047421 JCISZJKEEYEBSR-OAQYLSRUSA-N 380.488 3.977 0 40 GHAB CC(C)n1ncc2c(C(=O)NCc3nc4ccccc4n3C)cc(C3CC3)nc21 8159967 FFXIZFPKDCCSSM-UHFFFAOYSA-N 388.475 3.706 0 40 GHAB Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)Nc1ccccc1Cl 8433699 XMELVIYHMHCJBT-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)cc1 8571643 PKMROSSCXAPGJU-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB CCCn1c(SCc2csc(COc3ccc(Cl)cc3)n2)n[nH]c1=O 8749195 OBEPDBVBWLYWLV-UHFFFAOYSA-N 396.925 3.963 0 40 GHAB COc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)ccc1OC(F)F 8751925 XZIVBBCBKFFPID-UHFFFAOYSA-N 376.359 3.897 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(Cl)c2C)cc1 9217104 GHDOZNBBVIZQKS-GOSISDBHSA-N 392.908 3.749 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)cc1 9531035 DWWRDGHJBYWWCF-INIZCTEOSA-N 391.471 3.596 0 40 GHAB CCn1c(C)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 9699229 VABBXNGTRKYHTG-UHFFFAOYSA-N 389.706 3.753 0 40 GHAB COc1ccc2cc(C(=O)NCCc3ccc(-n4cccn4)cc3)c(C)nc2c1 10222868 MYYZURLFKWPOJD-UHFFFAOYSA-N 386.455 3.710 0 40 GHAB CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccc(OC)cc1 10402564 LYFKIHVCWNLTMZ-UHFFFAOYSA-N 396.516 3.691 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2)c(Cl)c1Cl 10544246 KTFUNUVGTIKCFO-UHFFFAOYSA-N 390.288 3.668 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cccc3cccnc23)c1 11283848 XKPAMTIJOUATKO-UHFFFAOYSA-N 375.833 3.649 0 40 GHAB CCOc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 11480517 KVBVTIXDHDKAKR-NSHDSACASA-N 382.338 3.683 0 40 GHAB CCCCN1C(=O)[C@H]2ON(c3ccccc3C)[C@@H](c3ccc(OC)cc3)[C@@H]2C1=O 12017581 UQWSVJQDAOICJZ-ACRUOGEOSA-N 394.471 3.650 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 12088543 DTZHUWNZJIXHDG-SFHVURJKSA-N 376.435 3.626 0 40 GHAB Cn1nccc1C(=O)C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 12156135 UJZXNFQHNQZQDO-UHFFFAOYSA-N 387.483 3.751 0 40 GHAB Cc1cc(-c2cnn(CCNC(=O)c3c(C)noc3C)c2-c2cccs2)on1 12258654 XWIGWRUTPPLJCA-UHFFFAOYSA-N 397.460 3.610 0 40 GHAB CCOc1ccccc1CN1CCc2nc3cc(C(C)(C)C)nn3c(O)c2C1 12276026 COULAVLDMWPPTB-UHFFFAOYSA-N 380.492 3.689 0 40 GHAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1 12802652 IVOHWDOVUAKOIX-INFUSRGGSA-N 382.460 3.912 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)nc3ccccc23)no1 12806409 LGIGKPXSWWHBNV-CYBMUJFWSA-N 391.383 3.975 0 40 GHAB CCN(CC(=O)NCc1cccs1)Cc1nc(-c2ccccc2Cl)no1 12882194 IYHKEVRVJXAKIT-UHFFFAOYSA-N 390.896 3.590 0 40 GHAB Cc1ccc(Nc2nc(N3C[C@H](C)O[C@@H](C)C3)nc3nccnc23)cc1Cl 13010928 NYIOCLKJZHXPOX-STQMWFEESA-N 384.871 3.739 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN1C(=O)c1cccs1 14021291 PNVGDGLZTXDULY-CYBMUJFWSA-N 384.379 3.890 0 40 GHAB COC(=O)c1ccc(CNC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 14112015 DLGFKSCQDSVJAK-UHFFFAOYSA-N 382.391 3.516 0 40 GHAB CCN1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1 14523598 WYNLPXOKVOCIDS-UHFFFAOYSA-N 394.544 3.874 0 40 GHAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 14653756 JSJWBXSHTLKBCX-UHFFFAOYSA-N 380.469 3.856 0 40 GHAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3ccccc3c2)c(C)c1 15415707 IOEPQERPJWBYDH-UHFFFAOYSA-N 382.485 3.764 0 40 GHAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccccc2C)c2ccco2)cc1 15781092 LESTVJIFRYEWIH-HXUWFJFHSA-N 399.468 3.542 0 40 GHAB CCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccnc12 15840766 XMQRNMUYIGPFMN-UHFFFAOYSA-N 382.416 3.912 0 40 GHAB CCCCCCn1c(=S)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c1=O 17198157 IIELFSNHXNFQIU-GOSISDBHSA-N 398.532 3.908 0 40 GHAB biogenic Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 19117729 IEZWPLZAAFWZLQ-MRXNPFEDSA-N 378.501 3.857 0 40 GHAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccncc2)C1)c1cccs1 19400767 OGCHUPSANHBIES-GHTZIAJQSA-N 392.528 3.921 0 40 GHAB CC(C)c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]3NCCCC[C@H]32)c(=O)[nH]1 19453099 FMSGUOFPNDZXFD-STZQEDGTSA-N 393.531 3.639 0 40 GHAB Cc1c(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)oc2ccc(F)cc12 19565608 HROJASPKDHVBQA-GOSISDBHSA-N 394.450 3.636 0 40 GHAB CN1CCN(Cc2cccnc2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19589484 UCBMCBINWADIHK-NRFANRHFSA-N 391.540 3.943 0 40 GHAB COc1ccc(-c2nc(C3CCN(C[C@@H]4CC=CCC4)CC3)[nH]c2C(N)=O)cc1 19696989 BQBFSTQNXFKPLV-MRXNPFEDSA-N 394.519 3.720 0 40 GHAB Cc1cc(N2CCN(Cc3c(C)nn(C(C)C)c3C)CC2)cc([C@H]2CCCN2)n1 19697965 KRDUGMMPSBSUOK-JOCHJYFZSA-N 396.583 3.531 0 40 GHAB CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(OC)cc1 20046989 BYUNIWBZQMEWBM-QGZVFWFLSA-N 396.896 3.601 0 40 GHAB O=C1Nc2ccc(F)cc2[C@]12CC(O)=Nc1c2cnn1-c1ccccc1Cl 20727357 PQDFRVMHMQHKEW-IBGZPJMESA-N 382.782 3.895 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3cc(-c4ccccc4)nn32)c(OC)c1 20732236 XSLPQIKYBXTXLL-QGZVFWFLSA-N 392.415 3.739 0 40 GHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)Nc1cccc(F)c1 21882536 RNLKKDDLSILFRH-UHFFFAOYSA-N 385.464 3.964 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C 22329726 PKYCDVHESJSKHB-GOSISDBHSA-N 388.533 3.564 0 40 GHAB C[C@H](C(=O)Nc1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1 22779348 AYRPBYRLXJYZKP-OAHLLOKOSA-N 375.875 3.624 0 40 GHAB C[C@H](NC(=O)CCc1nc(-c2ccncc2)no1)c1ccc(C(F)(F)F)cc1 23150256 OYKFHJVRLVJAOC-LBPRGKRZSA-N 390.365 3.960 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)N1CCN(C/C=C/c2ccccc2)CC1 23510876 WQLILTULKSINLZ-QPJJXVBHSA-N 390.936 3.501 0 40 GHAB c1ccc(-c2nc3sccn3c2CN2CCN(c3ccccn3)CC2)cc1 23936900 HZPWMKWMBVEFMO-UHFFFAOYSA-N 375.501 3.780 0 40 GHAB C[C@H](C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1)n1cncn1 24583161 DWFHMUWSEOUCCF-LLVKDONJSA-N 387.802 3.523 0 40 GHAB CC(=O)c1ccc(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 24796325 DABBLLDSFQMPFD-UHFFFAOYSA-N 396.516 3.756 0 40 GHAB CCOc1ccc(-c2cc(C(=O)Nc3nc(C)c(C(=O)OC)s3)no2)cc1 27579991 CZQXLNACYWDRCI-UHFFFAOYSA-N 387.417 3.544 0 40 GHAB CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)cc1C 27822753 GQPQEZFXLCKKCT-UHFFFAOYSA-N 388.533 3.603 0 40 GHAB CCc1ccc([C@@H](CNC(=O)COc2ccc(OC)cc2)N2CCCC2)cc1 28292845 UFADODDEJFSJHR-JOCHJYFZSA-N 382.504 3.590 0 40 GHAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(-n2cncn2)nc1 29109453 GWTVQCFPNQKVGI-UHFFFAOYSA-N 396.863 3.620 0 40 GHAB O=S1(=O)C[C@H]2N=C(SCc3ccccc3Cl)N(c3ccccc3)[C@@H]2C1 32640447 RSDOBKJPGAIIIA-IAGOWNOFSA-N 392.933 3.615 0 40 GHAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccccc1Cl 35476462 VKYPTJPBXXAXEZ-MRXNPFEDSA-N 379.865 3.637 0 40 GHAB COc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4cc(C)on4)C3)s2)cc1 36705203 UNDKQBARGJGIEG-CQSZACIVSA-N 384.461 3.530 0 40 GHAB O=C(Cn1nnc2ccccc21)N1CCc2sccc2[C@H]1c1cccs1 39536384 YYBBVPRDOZKORA-IBGZPJMESA-N 380.498 3.729 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)N1CCC(C(=O)c2ccccc2)CC1 40025689 ZNKVEISHPXOVHV-UHFFFAOYSA-N 379.456 3.562 0 40 GHAB COc1ccc(CCNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 40140192 PYSGWKKAILZEOZ-UHFFFAOYSA-N 397.425 3.620 0 40 GHAB CC(C)[C@H](C(=O)O)n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40397315 ZKIINKXZWNDWKT-QGZVFWFLSA-N 396.834 3.646 0 40 GHAB CN(C(=O)c1ccc(NC(=O)c2cnsn2)cc1Cl)C1CCCCC1 55649208 GEOUGSSDUUCHDC-UHFFFAOYSA-N 378.885 3.849 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ccc(O)cc2)CC1 57406105 DPAUWVMFJIUULA-CYBMUJFWSA-N 394.302 3.848 0 40 GHAB COc1ccc(C)cc1NCCC(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C 58022973 YQPXWUFADQFKRU-UHFFFAOYSA-N 397.519 3.828 0 40 GHAB Cc1cc(CN2CCN(c3nc(-c4ccccc4)c4ccccc4n3)CC2)no1 58171285 YKKDUUDEIRBXHK-UHFFFAOYSA-N 385.471 3.915 0 40 GHAB O=c1[nH]nc(SCc2sc3ccccc3c2Cl)n1C[C@H]1CCCO1 58377000 ILPZGLOIUJKZHU-SNVBAGLBSA-N 381.910 3.911 0 40 GHAB O=S(=O)(NCc1ccnc(Oc2ccc(F)cc2)c1)c1c(F)cccc1F 58378268 LBGBUTWCWWEUCY-UHFFFAOYSA-N 394.374 3.770 0 40 GHAB c1ccc(Cn2c(CN3CCCCC3)nnc2SCc2ccncc2)cc1 60708789 BMNBOEZDFRTZRX-UHFFFAOYSA-N 379.533 4.000 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)Nc1nnc(Cc2ccccc2)s1 61720625 LSHRTLOCJLLLHF-UHFFFAOYSA-N 381.486 3.937 0 40 GHAB Cc1noc(C2CCN(C(=O)NCC3(c4ccc(F)cc4)CCCC3)CC2)n1 61865421 JOZSRJIPCVZIMJ-UHFFFAOYSA-N 386.471 3.918 0 40 GHAB COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(N(C)Cc3ccccc3)nc2c1 64775287 KVZFCBDQRBIBMX-UHFFFAOYSA-N 399.450 3.809 0 40 GHAB Cc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3cc4c(cc32)OCCO4)cc1 64814417 YZYWMMOPOYZAPZ-UHFFFAOYSA-N 391.349 3.773 0 40 GHAB O=C(NC[C@H](O)c1cccc2ccccc12)C1(c2ccccc2)CCOCC1 70636053 OKSNUMRHEXELME-QFIPXVFZSA-N 375.468 3.738 0 40 GHAB C[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)[C@H](C)CN1Cc1ccco1 72324222 OHWSKPHQBZTGDS-HUUCEWRRSA-N 382.439 3.544 0 40 GHAB COc1cccc2c1ccn2CC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 72324437 WVHWATQYXCLMTJ-UHFFFAOYSA-N 377.419 3.855 0 40 GHAB biogenic CCn1ccnc1CN1CCC(c2nccnc2Oc2ccccc2OC)CC1 72363221 YBDMDQLRFLKREB-UHFFFAOYSA-N 393.491 3.874 0 40 GHAB O=C(NCCNc1cc(-n2cccc2)ncn1)Nc1cccc(C(F)(F)F)c1 77101394 FWXOMZGNQQOMON-UHFFFAOYSA-N 390.369 3.520 0 40 GHAB C[C@H](C(=O)Nc1ccccc1Cl)N1CCC[C@H](c2nnc3ccccn23)C1 78825205 SBYJYWIHRYCPIM-CABCVRRESA-N 383.883 3.589 0 40 GHAB O=C1CCCc2cc(NC(=O)[C@H](c3ccccc3)N3CCCCC3=O)ccc2N1 78911128 ZJLYNHSAUVNYAK-QFIPXVFZSA-N 391.471 3.654 0 40 GHAB Cc1cc(CCC(=O)N[C@H](C)[C@@H](O)Cc2ccccc2)ccc1Br 89587444 NOQTWWOYIBOZEK-BEFAXECRSA-N 390.321 3.798 0 40 GHAB COc1ccc(S(=O)(=O)N(Cc2ccoc2)Cc2cccs2)cc1OC 90612214 ZSDAQZJBRTXYSV-UHFFFAOYSA-N 393.486 3.749 0 40 GHAB Cc1nc(NC(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)oc1C 95377556 HWEZJNHNCFXLLH-VIFPVBQESA-N 396.241 3.708 0 40 GHAB C[C@H](CC(=O)OCC[C@H]1CCN(Cc2ccccc2)C1)NC(=O)C1CCCC1 95467972 YODSAMQVNOGPEJ-UYAOXDASSA-N 386.536 3.527 0 40 GHAB CSc1cccc(NC(=O)COC(=O)Cc2ccccc2Br)c1 95471775 LMQUDURVMMCAEZ-UHFFFAOYSA-N 394.290 3.895 0 40 GHAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCOCC2)cc1OC 95472143 BFQILWFITLEQMR-QGZVFWFLSA-N 389.477 3.844 0 40 GHAB COC(=O)c1[nH]/c(=N/C(=O)c2c(C)noc2C)sc1-c1ccccc1Cl 95480319 NWLAHOWPXTWQCI-UHFFFAOYSA-N 391.836 3.529 0 40 GHAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NNc1ccccc1C(F)(F)F 95956182 KIODSNGBYPIYHN-AWEZNQCLSA-N 387.402 3.938 0 40 GHAB CC(C)Oc1ccc(C(=O)N2CCC[C@H]2CS(=O)(=O)c2ccccc2)cc1 96098305 WMOGSVYJCGKYLD-SFHVURJKSA-N 387.501 3.552 0 40 GHAB CN(C)c1cccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c1 98212586 YZMHXKSWZAOICJ-UHFFFAOYSA-N 389.503 3.542 0 40 GHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 113969935 XLGHJAXZPPLFDS-OAQYLSRUSA-N 396.487 3.572 0 40 GHAB COc1ccc(NC(=O)COc2ccc(C)nc2Br)cc1Cl 128531422 RXNRODYNSYTEJY-UHFFFAOYSA-N 385.645 3.832 0 40 GHAB Cc1ccc(C(=O)N(C)C2CCCC2)cc1S(=O)(=O)N1CCCCCC1 216399572 DOVOGKRGRBTKDD-UHFFFAOYSA-N 378.538 3.574 0 40 GHAB CC[C@@H](NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1C 222465085 ODCIUNVGDSSKIA-LJQANCHMSA-N 388.533 3.889 0 40 GHAB COC(=O)c1cn(S(=O)(=O)c2ccc3cc(OC)ccc3c2)c2ccccc12 222648478 CQHVJBJZFKRLJC-UHFFFAOYSA-N 395.436 3.827 0 40 GHAB CC(C)(C)CC(C)(C)NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224752468 ZKKGKHHFKWYQGS-UHFFFAOYSA-N 386.533 3.703 0 40 GHAB CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224816325 OXDIKVPRPAZXLN-UHFFFAOYSA-N 379.478 3.706 0 40 GHAB CC(C)[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225199247 NNEBVKNVBKNEPX-AWEZNQCLSA-N 394.924 3.939 0 40 GHAB Cc1ccc(CN(CC(=O)O)C(=O)c2ccc(Cc3ccc(F)cc3)nc2)cc1 257203668 ARBDNTVPAHROBQ-UHFFFAOYSA-N 392.430 3.847 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(Cc2ccccn2)C2CC2)[C@@H]1c1ccccc1F 257205459 AZDRTKBXYCLNLE-KNQAVFIVSA-N 395.478 3.712 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@](C)(c3ncc(Cc4cccc(F)c4)o3)C2)cn1 257222141 DSCQTUFOVVBGFA-JOCHJYFZSA-N 394.450 3.697 0 40 GHAB Cc1cc(-c2cccc(C(=O)O)c2)nc(CC2CCN(C(=O)C(C)(C)C)CC2)n1 257260755 LEEMXSNOCVXOLA-UHFFFAOYSA-N 395.503 3.977 0 40 GHAB C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccncc2)CC1 257310634 UFYAFKDMWKPDSR-CAMMJAKZSA-N 393.535 3.651 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1NC(=O)CC 408696916 GEHYVXBUMPQFCF-UHFFFAOYSA-N 376.478 3.851 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCCC3)o2)C1=O 409014280 IGAIQTYUGJPYSA-UESPBHMZSA-N 392.477 3.648 0 40 GHAB C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccnc(-c2cccc(Br)c2)n1 585138309 CWRROSGIRWOXOP-NHYWBVRUSA-N 388.265 3.850 0 40 GHAB CC(C)(C)c1ccc(-c2cc(NC(=O)[C@@H]3OCC[C@@H]3Cn3ccnc3)on2)cc1 621865384 KSIOJMKGJBAPCQ-OXQOHEQNSA-N 394.475 3.879 0 40 GHAB Fc1ccc(CN2CCC(Oc3ncc(Br)cn3)CC2)c(F)c1 1204210956 LHTKDKUKERUHJR-UHFFFAOYSA-N 384.224 3.561 0 40 GHAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2C[C@H](CO)OC[C@H]2C)c(C(C)C)c1 1561349887 QTUSWCVNQRZJOP-SJLPKXTDSA-N 397.581 3.827 0 40 GHAB COc1ccc(CN2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1 2037841071 VNUCJNPAGVRWAF-HSZRJFAPSA-N 398.478 3.622 0 40 GHAB CC(=O)N1CCN(Cc2csc(C)n2)C[C@@H](Cc2cccc3cccnc23)C1 2037845541 AFIAHALWTISLEC-GOSISDBHSA-N 394.544 3.523 0 40 GHAB c1ccc(C(c2ccccc2)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1 2086889632 FDLWSMMMNSULSU-UHFFFAOYSA-N 396.498 3.574 0 40 GHAB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Br)s2)NC(=O)N1 717812 SAHBMNOKGVFJKQ-CYBMUJFWSA-N 385.283 3.624 0 40 GHAB Cc1ccccc1-c1nnc(SCC(=O)N2CCCc3ccccc32)n1C 877837 PULNNJVEPQSVBT-UHFFFAOYSA-N 378.501 3.862 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1C 916569 LGSWALPIRXEBID-HOTGVXAUSA-N 388.537 3.584 0 40 GHAB COC(=O)CCc1ccc2c(c1)CC1(C2)Cc2ccc(CCC(=O)OC)cc2C1 1855641 UAQQDFQKGYGTSM-UHFFFAOYSA-N 392.495 3.782 0 40 GHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1 1943885 REXIHEPKWQYYLG-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2C)C1=O 2116577 OIFHFYGAOHYIPT-REWPJTCUSA-N 387.483 3.571 0 40 GHAB biogenic COc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2N)cc1 2369498 FPXJERWGYKNUQS-UHFFFAOYSA-N 391.294 3.722 0 40 GHAB Cc1ccc(C(=O)COC(=O)c2ccc(I)cc2)cc1 3248154 JLJSSLNEXOVHMZ-UHFFFAOYSA-N 380.181 3.639 0 40 GHAB Cc1ccccc1-c1nnn(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 3349911 RAJQWYCCWPLHOI-UHFFFAOYSA-N 395.772 3.959 0 40 GHAB CCOc1ccccc1-n1nnnc1SCc1cc(=O)oc2cc(C)ccc12 3515706 ISBJPKPGZVZMIX-UHFFFAOYSA-N 394.456 3.768 0 40 GHAB Cc1cccc(OCc2nn3c([C@H]4COc5ccccc5O4)nnc3s2)c1 4384011 DFKMACFTTSDVHP-MRXNPFEDSA-N 380.429 3.586 0 40 GHAB C[C@@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)c(F)c1F 4439185 CSSJYXFWAKLQDH-LLVKDONJSA-N 393.361 3.542 0 40 GHAB COc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)Nc2cccc(OC)c2)c1 4697307 SBXLHOXIAJLQSU-RWFYYTQISA-N 392.455 3.719 0 40 GHAB CC(C)c1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 5229220 OQUOHIQETPYXDW-UHFFFAOYSA-N 392.546 3.518 0 40 GHAB COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1ccc(F)c(F)c1F)CC2 5389098 XWMRTCZOECGSQS-LLVKDONJSA-N 394.393 3.679 0 40 GHAB O=C([C@@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1)N1CCCC1 5469550 VICBYYSVWDKODZ-KRWDZBQOSA-N 399.907 3.772 0 40 GHAB COc1ccc(C(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(F)c1 6113670 GALZHFJSMCHNMR-ZHHULCEESA-N 389.467 3.712 0 40 GHAB Cc1ccc(S(=O)(=O)NC(=O)OCCc2ccccc2C(F)(F)F)cc1 6214438 YGOUBPCUHOCRHP-UHFFFAOYSA-N 387.379 3.671 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1ccc(Cl)cc1Cl 6649170 RUUDZCGWVINBOU-UHFFFAOYSA-N 386.300 3.678 0 40 GHAB Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(Cl)c3)cs2)no1 6681808 KTPRPWWPJPOMKV-UHFFFAOYSA-N 397.865 3.751 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnnn2-c2cc(C)ccc2C)c1 6946122 ZRALYFFVCMONNE-HNNXBMFYSA-N 395.488 3.601 0 40 GHAB CCCn1nnnc1CSc1nnc(-c2ccoc2C)n1-c1ccccc1 7774904 DHGODLOMRPOFNI-UHFFFAOYSA-N 381.465 3.525 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C 7814230 CAPNRLBNACMVOL-KRWDZBQOSA-N 378.831 3.881 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)CCc1c[nH]c2ccccc12 8133481 IMZAUPREVHYBLN-UHFFFAOYSA-N 377.488 3.596 0 40 GHAB COc1cc(CO)ccc1OCc1nnc(-c2ccc(Br)cc2)o1 8273084 ZZNBLHMVYQPEDS-UHFFFAOYSA-N 391.221 3.579 0 40 GHAB C[C@@H](NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccco1 8313377 ATMRXWBQKTZVGQ-LLVKDONJSA-N 385.470 3.657 0 40 GHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1cccc(Br)c1 8624304 KLIRBXGWFDFYMG-IBGZPJMESA-N 385.261 3.733 0 40 GHAB Cc1cc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)n(-c2ccccc2)n1 8944063 BECRUEUHNDJMSD-UHFFFAOYSA-N 396.501 3.758 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCc3ccccc3)c2)cc1 10314827 PMWZGXKFIZBZCT-UHFFFAOYSA-N 394.496 3.768 0 40 GHAB O=C(Nc1nc2ccccc2s1)C(=O)N1CCC(Cc2ccccc2)CC1 10326004 ZTSSLPMVYXBNIB-UHFFFAOYSA-N 379.485 3.716 0 40 GHAB COc1cc(CNS(=O)(=O)c2ccc(SC)cc2)ccc1OC(C)C 10543750 QXJODIWDVZRJDJ-UHFFFAOYSA-N 381.519 3.683 0 40 GHAB CCOc1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)n(C)c(=O)n3C)cc1 11614779 MWUACUTXXAZZGI-UHFFFAOYSA-N 391.427 3.640 0 40 GHAB O=C(Nc1nnc(-c2ccc(Br)s2)o1)c1ccc2c(c1)OCO2 11695488 WIEDCUZDINRIPK-UHFFFAOYSA-N 394.206 3.542 0 40 GHAB Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 12223805 QTOKYRFXJVLECX-UHFFFAOYSA-N 392.434 3.679 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1Nc1ccccc1 12527426 TYBGQFNVLCGNCJ-UHFFFAOYSA-N 384.439 3.939 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCC(C)CC1 12761487 NVADGOYYDUGNFE-UHFFFAOYSA-N 390.480 3.807 0 40 GHAB Cc1ccccc1CC(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 12774977 ZMWXKPYHODCLIQ-UHFFFAOYSA-N 387.505 3.926 0 40 GHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1CCC[C@@H](C)C1 12780910 GJLFKXOLVIQNTO-GFCCVEGCSA-N 393.409 3.949 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2cnc(C)cn2)c2c[nH]c3ccccc23)cc1 12813429 RBRWZTQCWDLHJH-LJQANCHMSA-N 386.455 3.837 0 40 GHAB COc1cc(C(=O)N(CCC(N)=O)Cc2ccccc2)ccc1OCCC(C)C 12856934 AYJGGQDBNCGRAH-UHFFFAOYSA-N 398.503 3.638 0 40 GHAB COc1cccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 12977739 OBSKTEZQNCSTLG-SXYIGIQMSA-N 382.504 3.841 0 40 GHAB O=C(O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Br)cc2)c1 13340871 XBDZDNRKOFNLIJ-UHFFFAOYSA-N 390.642 3.602 0 40 GHAB Cc1cc2oc(C(=O)NC[C@H](c3ccco3)N3CCCC3)cc(=O)c2cc1C 15859924 JZXJERGNXGNTJY-QGZVFWFLSA-N 380.444 3.570 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)cc1Cl 16226847 FEUYODMTIBYKGW-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB COC(=O)c1ccc2c(O)nc(CN[C@H](c3ccc(F)cc3)C(C)C)nc2c1 16695642 YCSCBEYVTRFIPX-IBGZPJMESA-N 383.423 3.748 0 40 GHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C[C@H]3C=CCC3)C1)N2 19127621 BTLVHOIHMIQRPD-VVLHAWIVSA-N 378.467 3.777 0 40 GHAB Cc1csc2c(=O)n3c(nc12)CCN(Cc1ccc(OC(C)C)cc1)CC3 19240318 TXRGSWNQJMNMRP-UHFFFAOYSA-N 383.517 3.612 0 40 GHAB COc1cccc(-c2cnc(NCC[C@@H]3CCCCO3)nc2-c2nccn2C)c1 19291646 RMPCIKSWDOCBSF-KRWDZBQOSA-N 393.491 3.924 0 40 GHAB CCCC(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(C1CCCCC1)CC2 19501409 CRORMQISPTWTOL-IBGZPJMESA-N 386.540 3.727 0 40 GHAB CCc1oc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(OC)cc2)cc1COC 19521500 WEQUDWSIOQEAPW-OAQYLSRUSA-N 395.459 3.508 0 40 GHAB Cc1cc(C)c2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)[nH]c2c1 19663424 YSOYRXGHAZLYTL-UHFFFAOYSA-N 383.473 3.577 0 40 GHAB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1C(C)C 19818584 RCRKSMQBCNHLPT-UXHICEINSA-N 391.471 3.960 0 40 GHAB CSc1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 20481700 TUENXFAPBDKGJX-UHFFFAOYSA-N 376.503 3.645 0 40 GHAB CN(C)Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 21401629 LFSIVUWFUVUKSN-UHFFFAOYSA-N 381.451 3.791 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCc2ccc3ccccc3n2)c1 21432005 JQKZLJIRQRMRAO-MRXNPFEDSA-N 390.439 3.940 0 40 GHAB Cc1noc(-c2ccccc2NC(=O)COc2ccc(Br)cc2)n1 22460936 SSKZUDYRXJUSLF-UHFFFAOYSA-N 388.221 3.825 0 40 GHAB COc1ccc(-c2nc(CC(=O)Nc3cnc4c(c3)c(C)nn4C)cs2)cc1 22473061 QAKJYTHQAUNOFA-UHFFFAOYSA-N 393.472 3.590 0 40 GHAB Cc1noc(C)c1CCC(=O)N1CCN(Cc2cccc3ccccc23)CC1 23818364 VKGGSCGGKXUCNH-UHFFFAOYSA-N 377.488 3.722 0 40 GHAB Cc1nn(C)c2ncc(NC(=O)c3cc(Br)ccc3Cl)cc12 24032602 DLXSJKGCNJODAB-UHFFFAOYSA-N 379.645 3.945 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)[C@@H](CCSC)NC(=O)c1ccccc1 32722625 QPAQEWGZLLBNHS-LJQANCHMSA-N 388.508 3.726 0 40 GHAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2[nH]c(C)c(C)c2c1 36892373 SDLVIPFTABDBCN-OAQYLSRUSA-N 389.455 3.780 0 40 GHAB O=C(NCC1CCN(Cc2cccs2)CC1)C1(c2ccccc2)CCOCC1 38584630 IMOUTEQHDBQKPW-UHFFFAOYSA-N 398.572 3.825 0 40 GHAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 40153888 QZCNRVRKAXRSIZ-UGSOOPFHSA-N 391.562 3.606 0 40 GHAB CC(C)NC(=O)COc1cc2ccccc2cc1C(=O)Nc1cccc(O)c1 41302981 HLNQAUPVISACHX-UHFFFAOYSA-N 378.428 3.701 0 40 GHAB O=C(Cn1ccc(C(F)(F)F)n1)N[C@@H](c1ccccc1)c1ccc(F)cc1 45407302 MGLRYJVIQDPWFM-SFHVURJKSA-N 377.341 3.947 0 40 GHAB Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)NC[C@@H]2CCOC2)n1 46013367 XLWKKBDBQQRJMG-ZDUSSCGKSA-N 382.386 3.666 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Nc2cccnc2N2CCCC2)C1 48173696 YVDBFLBTFWYGPM-QGZVFWFLSA-N 393.491 3.564 0 40 GHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)c1 49083768 JKQLANMWDANMRZ-HNNXBMFYSA-N 393.487 3.510 0 40 GHAB CCOC(=O)CCC(=O)N1CCC(Oc2nc3c(C)ccc(C)c3s2)CC1 49435549 QFXDFVQGPDRXCB-UHFFFAOYSA-N 390.505 3.626 0 40 GHAB O=C(CSc1ccccc1Cl)NC1CCN(Cc2ccccn2)CC1 53989970 FHYGYMPGRQYIIV-UHFFFAOYSA-N 375.925 3.608 0 40 GHAB O=C(NC[C@H]1COCCO1)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 56749028 VTEQGKBLHBUSGD-HNNXBMFYSA-N 380.366 3.909 0 40 GHAB COc1ccc(-c2cc(C(=O)N[C@H](C)CCc3ccccc3)n[nH]2)c(OC)c1 57477369 GIEWXKDRLXWOPG-OAHLLOKOSA-N 379.460 3.845 0 40 GHAB Fc1ccc(CN(Cc2ccco2)Cc2nnnn2CCc2ccccc2)cc1 57675033 MBUJQBLHFAJWFO-UHFFFAOYSA-N 391.450 3.850 0 40 GHAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1cccc(OCC(F)(F)F)c1 65488513 NMGURPJBXHCFFP-CXAGYDPISA-N 378.394 3.995 0 40 GHAB CC(C)(C(=O)NCc1n[nH]c(=S)n1C1CC1)c1cccc(C(F)(F)F)c1 67070713 OUDLOWHVZIIVDQ-UHFFFAOYSA-N 384.427 3.888 0 40 GHAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2F)c1 71285243 FMBJRVPRJNRNMJ-HOTGVXAUSA-N 388.370 3.512 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cnc(N3CCCC3)c(C)c2)cc1 72218810 QBLFSAOAUCLTPP-FQEVSTJZSA-N 385.533 3.824 0 40 GHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 72345100 ALVKCYGSORGNPE-PGRDOPGGSA-N 390.527 3.907 0 40 GHAB COc1ccc(Cc2cccc(C3CCN(C(=O)c4c[nH]nc4C)CC3)n2)cc1 72349759 PAYULDYRXVMNAN-UHFFFAOYSA-N 390.487 3.732 0 40 GHAB O=C(c1ccccn1)N1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1 72362257 GMSCYIXAVNXYNJ-HNNXBMFYSA-N 378.407 3.823 0 40 GHAB CCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cn(C)c2ccc(OC)cc12 72395553 OBATUBSFAFFUCI-YADHBBJMSA-N 391.515 3.681 0 40 GHAB NC(=O)NC(=O)C1CCC(Nc2ncnc3scc(-c4ccccc4)c23)CC1 79109050 AVODZXYOVDMPNK-UHFFFAOYSA-N 395.488 3.524 0 40 GHAB C[C@H](OC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1)C(=O)c1ccc(F)cc1 95369368 MVOAWTGLGIHMDC-ZANVPECISA-N 381.812 3.848 0 40 GHAB O=C(O)CCCOc1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cc1 95463969 IPQDJTULLOLEFJ-UHFFFAOYSA-N 380.400 3.766 0 40 GHAB COC(=O)N1CCc2ccc(NC(=O)c3ccccc3Br)cc2C1 96096272 LQHOPVLMJFBUAM-UHFFFAOYSA-N 389.249 3.826 0 40 GHAB CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 101708097 IXYSNJPFISXRPY-SQGPQFPESA-N 384.520 3.633 0 40 GHAB CC[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220500651 KPDQOTQNZISLSA-SFHVURJKSA-N 394.924 3.509 0 40 GHAB Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N(C)S(C)(=O)=O 222476332 QRTKSURDZHNHIG-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222566177 UHVBPGNVSVAOSW-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCO 223624740 AHMDCESKDPGODU-NHCUHLMSSA-N 392.528 3.536 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)c(C)c1 224189539 PVPXSSIMDGBFNT-UHFFFAOYSA-N 383.897 3.631 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C 224741187 NWOJPTJHLWOWJL-IBGZPJMESA-N 382.504 3.626 0 40 GHAB COc1ccc2cc(S(=O)(=O)NCCOc3ccc(C)cc3C)ccc2c1 225170318 LPKOWGUZMUREGY-UHFFFAOYSA-N 385.485 3.823 0 40 GHAB CC(C)[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225199206 NNEBVKNVBKNEPX-CQSZACIVSA-N 394.924 3.939 0 40 GHAB CC1CCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CC3)n2)CC1 226003596 ZYNYAKWPSIZTQB-UHFFFAOYSA-N 383.521 3.954 0 40 GHAB CC(=O)O[C@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC(=O)[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 245240211 OTUOJBDLVLSQSL-RLOMZRJESA-N 388.504 3.668 0 40 GHAB Fc1ccccc1-c1cnc2nnc(C3CCN(Cc4ccoc4)CC3)n2c1 306123347 AKPPWEPOEXEEKR-UHFFFAOYSA-N 377.423 3.903 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(O)c3)C2=O)cc1C 409168775 NNJRGBHEHLPFGQ-LICLKQGHSA-N 382.441 3.684 0 40 GHAB Cc1noc(C2(NC(=O)Nc3ccc(-c4ccccc4)c(C)n3)CCOCC2)n1 529102727 JJLLGFSGESATGE-UHFFFAOYSA-N 393.447 3.576 0 40 GHAB C[C@H](Cc1csc2ccccc12)NC(=O)CCS(=O)(=O)c1ccccc1 575621653 QGVHOCODKBTWKI-OAHLLOKOSA-N 387.526 3.813 0 40 GHAB Cc1noc(C)c1COc1ccc(CN2CCN(c3ccc(F)cn3)CC2)cc1 585084636 XCYMECCOGPIQQP-UHFFFAOYSA-N 396.466 3.727 0 40 GHAB O=C1CC[C@@]2(CCCN(c3ncc4sccc4n3)CC2)N1Cc1cncs1 585100785 WPLKRBHLBMTNRT-LJQANCHMSA-N 399.545 3.700 0 40 GHAB Cc1ccc(Cl)c(OCC2(O)CCN(Cc3ccc4nc[nH]c4c3)CC2)c1 585270638 NVHDJJGRRMBHPD-UHFFFAOYSA-N 385.895 3.931 0 40 GHAB Cc1ccc(OC[C@@H](O)CNCc2cc3cc(C)cc(C)c3nc2O)c(C)c1 585284498 LMPMCUAFXOAARZ-FQEVSTJZSA-N 380.488 3.704 0 40 GHAB CC(C)COc1ccc(C(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)cn1 585409622 RGFVGJKVLXWBGV-OAQYLSRUSA-N 390.487 3.638 0 40 GHAB C[C@H]1CCCc2ncc(C(=O)N[C@@H]3CCc4nc(-c5ccccc5)ncc4C3)n21 651235836 LVJSXCQWGPURBY-MAUKXSAKSA-N 387.487 3.525 0 40 GHAB O=S(=O)(Cc1ccccc1)Cc1cccc(N[C@H]2CCCn3ccnc32)c1 655752602 ROGFDPLDGNZZMA-FQEVSTJZSA-N 381.501 3.945 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)NC1CCCC1 905142 ITZWFSCLTXCYJW-UHFFFAOYSA-N 397.479 3.619 0 40 GHAB CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(OC)c(OC)c1 1338130 OZOLYLCGICSFNC-UHFFFAOYSA-N 388.445 3.535 0 40 GHAB Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@H](c1cccnc1)SCC(O)=N2 79489232 MSHRYCHSCFELLI-KRWDZBQOSA-N 380.429 3.698 0 40 GHAB COc1ccc(CN(C)C(=O)c2ccccc2Br)c(OC)c1OC 21922402 LTXFOTNJPASDAF-UHFFFAOYSA-N 394.265 3.747 0 40 GHAB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 3226286 DIZAMQDRURHHEJ-UHFFFAOYSA-N 399.560 3.951 0 40 GHAB Cc1nnc(SCC(=O)N[C@H](C)CCc2ccccc2)n1-c1ccccc1 3409903 VYBCHEPHUKZNPA-MRXNPFEDSA-N 380.517 3.805 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(=O)c2cc(Cl)ccc2o1 23732751 IHFQAAXVVIKWFI-OAHLLOKOSA-N 386.835 3.606 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 4454602 JKBVQPDCBNLFHJ-UHFFFAOYSA-N 387.361 3.876 0 40 GHAB O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)N1CCCC1 4967222 QDCIEKGADWAVEQ-UHFFFAOYSA-N 378.910 3.826 0 40 GHAB CC(C)CNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 6326367 VHTGGWAGFVRFRA-UHFFFAOYSA-N 380.517 3.722 0 40 GHAB Cc1sc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)N(C)C 6679462 IAFJRAWQTFFNSU-UHFFFAOYSA-N 393.317 3.866 0 40 GHAB CCCn1nnnc1NCc1cccc(OC)c1OCc1ccc(Cl)cc1 7263454 LUYWEGDJBJYKLK-UHFFFAOYSA-N 387.871 3.936 0 40 GHAB Cc1nnc(S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C(=O)O)o1 7603713 HHOVPTRONAKQFQ-NVNXTCNLSA-N 386.385 3.862 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(C)ccc2C)c(C)c1 8414875 YQYYTJAVSBIYMQ-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB Cc1ccc2nc(COC(=O)COc3cccc(Br)c3)cn2c1 8458095 MSTAERVGLPMVCK-UHFFFAOYSA-N 375.222 3.527 0 40 GHAB CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c(C)n1 12551075 IOWISPHHAYEZMR-AWEZNQCLSA-N 395.532 3.811 0 40 GHAB O=C(Nc1ccccc1)Nc1nc(C(=O)Nc2ccc3c(c2)OCCO3)cs1 9317380 BZSSFVXZTJKGNY-UHFFFAOYSA-N 396.428 3.811 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccc(OC)cc2)c(-c2cccc(Cl)c2)n1 57527596 OAQRPMGTENEYHX-UHFFFAOYSA-N 397.862 3.773 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 26905848 IHTNMYHTZNHLTK-UNMCSNQZSA-N 376.500 3.878 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1OC 1934060 LCUWMHZFKKHTAD-ONNFQVAWSA-N 375.808 3.552 0 40 GHAB CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C1C[C@@H]2CC[C@@H](C1)N2C 100923359 UOCBXPLPHJNAKG-IRXDYDNUSA-N 390.524 3.580 0 40 GHAB COc1cccc(COCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 48261325 VPBUCPBMAPJHMQ-UHFFFAOYSA-N 388.895 3.522 0 40 GHAB C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)c1cccc(Cl)c1 12776373 RSYFOUSNQKJFJD-STQMWFEESA-N 392.908 3.542 0 40 GHAB Cc1ccccc1[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 20461205 PYMQPIPIXODIFF-JOCHJYFZSA-N 395.480 3.834 0 40 GHAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCN(Cc2ccccc2)C1 58406652 DKYRKMDFFXPMNF-SFTDATJTSA-N 395.522 3.680 0 40 GHAB C[C@H](NC(=O)CCNC(=O)c1cccs1)c1ccccc1Br 12755968 FPTRXBFJFILYRB-NSHDSACASA-N 381.295 3.508 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1ccc2c(c1)OCO2 10764176 ZMHSMFSGHSDALJ-UHFFFAOYSA-N 391.471 3.526 0 40 GHAB COc1cc2cc(C(=O)N3CCC[C@H](C(F)(F)F)C3)[nH]c2c(OC)c1OC 48332286 LLKUMIBLKWPYSB-NSHDSACASA-N 386.370 3.608 0 40 GHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(=O)c2ccccc2o1 11483195 IEUAEGXJCVZMMN-UHFFFAOYSA-N 391.345 3.802 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 36837641 JEPAMZNOKIBIMD-DLBZAZTESA-N 392.377 3.661 0 40 GHAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)N2C(=O)CCSC2=N1 2502048 MHHXASFNGATNTF-KRWDZBQOSA-N 376.453 3.675 0 40 GHAB CCOc1ccccc1-c1nc(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cs1 12877324 YCYVOAPXXPUMHI-UHFFFAOYSA-N 394.456 3.560 0 40 GHAB COc1cc(C(=O)Nc2ccn(Cc3ccc(C)cc3)n2)cc(OC)c1OC 2761008 QKVVVXKLZJBCTG-UHFFFAOYSA-N 381.432 3.518 0 40 GHAB Cc1cc(C)cc(NC(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)c1 12822477 UQEXTFDHCUWVMU-UHFFFAOYSA-N 399.516 3.541 0 40 GHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H](c1ccccc1)N1CCOCC1 72309014 KISWFYJWWUVPLN-IBGZPJMESA-N 397.475 3.961 0 40 GHAB CC(=O)N1C[C@H](C(=O)Nc2ccc(Br)c(C)c2)Oc2ccccc21 12987104 QUIHNCGLHFGEDD-QGZVFWFLSA-N 389.249 3.510 0 40 GHAB Cc1cc(CN2CCN(C(=O)c3ccccc3N(C)c3ccccc3)CC2)on1 49619025 YRSAFPYSJDNSQA-UHFFFAOYSA-N 390.487 3.709 0 40 GHAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2CCCC2)ccc1C 6176858 CKKJTRORQRUHGF-UHFFFAOYSA-N 388.489 3.933 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 4699997 JCSJTFKNEVARQT-INIZCTEOSA-N 393.512 3.879 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1C(=O)NCc1ccccc1 6638089 ZZPFKMFXHAMLEG-FXAWDEMLSA-N 380.488 3.690 0 40 GHAB Cc1csc2nc(CSc3nnc(C4CC4)n3-c3ccccc3)cc(=O)n12 4890247 UYNQEMSTPHAWGV-UHFFFAOYSA-N 395.513 3.815 0 40 GHAB Cc1ccsc1CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 6810208 DWFLVLACOLSYMZ-OAHLLOKOSA-N 383.922 3.539 0 40 GHAB CCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2OC)cc1Br 20142338 BRFPKCYGWQAPTI-UHFFFAOYSA-N 394.221 3.807 0 40 GHAB C[C@@H]1C[C@H]1C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 15180785 LSRTYYSOTPGZAS-SRCQZFHVSA-N 386.835 3.810 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc(F)c3)cc2)cc1 113936261 PSBPVKBZRFNMQQ-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB COC(=O)/C(=C\Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccc(Cl)c1 67340363 FRLXBMASWGKOPU-OQLLNIDSSA-N 387.791 3.518 0 40 GHAB O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(C(=O)c2ccco2)CC1 15496870 KRDCCRSNEGKQFW-UHFFFAOYSA-N 396.487 3.691 0 40 GHAB Cc1ccc(C)n1NC(=O)c1ccc(O[C@H](C)C(=O)N(C)c2ccccc2)cc1 7338183 ISEXPQPMQYIHIO-GOSISDBHSA-N 391.471 3.919 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)Nc3ccnn3Cc3cccs3)c2O1 7989119 UKHSFUYTLKOLOA-UHFFFAOYSA-N 383.473 3.724 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@H](Nc1ccc(-n2cnnn2)cc1)c1ccccc1 8163468 USYWTMDCRSRDOI-HXUWFJFHSA-N 388.406 3.593 0 40 GHAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(OC)cc2)C1=O 8131937 NHDHAXOKFQIBHZ-QFIPXVFZSA-N 398.434 3.655 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 8394942 BXUCUAAVUUIJID-INIZCTEOSA-N 384.823 3.596 0 40 GHAB CCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CC)c1ccccc1 8427858 NMBQISCJAPNUTE-OAHLLOKOSA-N 381.501 3.950 0 40 GHAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1 17344181 ZDOXTZPPCBVTNY-UHFFFAOYSA-N 391.251 3.635 0 40 GHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 409188211 BSKFOPSWPZEQHH-CXUHLZMHSA-N 386.835 3.759 0 40 GHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1O 18039982 DCAPOYCFCGZIKY-UHFFFAOYSA-N 381.259 3.729 0 40 GHAB COc1ccc(OCCN(C)CC(=O)Nc2c(C)cc(C)cc2Cl)cc1 8770872 NYYDLOIIJWGIHD-UHFFFAOYSA-N 376.884 3.915 0 40 GHAB CCCOc1ccc(C(=O)NCC2CCC3(CC2)OCCO3)cc1OCC 75091992 XXILJDLMAUWDIJ-UHFFFAOYSA-N 377.481 3.537 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H](CN(C)C)C1 89553039 RIXOSFIREIWZID-QWHCGFSZSA-N 391.865 3.959 0 40 GHAB Cc1nc(COc2ccc(/C=C3/C(=O)NC(=O)c4ccccc43)cc2)cs1 89712484 RTJBFLCVLKYAAF-VXLYETTFSA-N 376.437 3.841 0 40 GHAB Cn1cc(-c2nc(C(=O)O[C@@H](c3ccccc3)c3ccccn3)cs2)cn1 89756601 ZUMMELXVFOIMHM-SFHVURJKSA-N 376.441 3.885 0 40 GHAB Cc1nc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3c3cc[nH]n3)s2)cs1 552105586 LYJGEHZMGVKZKQ-AWEZNQCLSA-N 394.547 3.819 0 40 GHAB Cc1nc2sc([C@H](c3ccccc3Cl)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 22626755 IQSWARWUUVMLHU-HFAKWTLXSA-N 392.912 3.657 0 40 GHAB CC(C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 20448379 NQDQLDDSRDBCBL-CYBMUJFWSA-N 392.908 3.618 0 40 GHAB CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1OC 20633384 IGYNAMWCTKBCLB-HXUWFJFHSA-N 393.443 3.906 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CC 408696624 CQNQPCZBJOEXNU-UHFFFAOYSA-N 382.869 3.888 0 40 GHAB Cc1cc(C)nc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)n1 408618555 DJBXRAGTGOZWLJ-UHFFFAOYSA-N 392.484 3.799 0 40 GHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccc2)C12CCCC2 32100349 RIRWHSAVFSKAJJ-NRFANRHFSA-N 392.499 3.502 0 40 GHAB O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cnc2ccc(F)cc2c1 535394192 PWRASKVKIPJNPX-GOSISDBHSA-N 383.810 3.563 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Oc2cccc3ccccc23)c(OC)c1OC 219037402 KFKUDAWTZPAVQH-OAHLLOKOSA-N 395.455 3.949 0 40 GHAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1Br 70636435 INBLJFVLMFSPLY-OAHLLOKOSA-N 388.183 3.629 0 40 GHAB COc1ccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)c(OC)c1 36635657 LWMKSPCCEMSIOX-CYBMUJFWSA-N 395.242 3.755 0 40 GHAB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccccc3)C(=O)O)n[nH]2)c1 213370339 ZAOGMRVDSOYBKS-PXNMLYILSA-N 383.429 3.707 0 40 GHAB C[C@@H](C(=O)Nc1ccc2c3c(cccc13)CC2)N(c1ccccc1)S(C)(=O)=O 223706533 NZEBAXAOAAHGSE-HNNXBMFYSA-N 394.496 3.732 0 40 GHAB CN(Cc1nc(-c2ccccc2)no1)C(=O)Cc1cccc(Br)c1 225623668 LCOJUQMNRWEOOZ-UHFFFAOYSA-N 386.249 3.700 0 40 GHAB CCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1C 225933416 DGNPXRARHGLACW-UHFFFAOYSA-N 380.897 3.606 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC[C@@H](O)CN1CCN(c3ccccc3F)CC1)C2 226171637 VVIPELLXSTTWQD-CFFRYYMNSA-N 390.543 3.540 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1C 225457214 FCWJHAIWQBNKHX-VQTJNVASSA-N 380.532 3.912 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 225384131 ZEPMILOAMQKPME-MOPGFXCFSA-N 396.531 3.960 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1Cl 220470679 YRGHQKBIKPGMJM-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccccc1F 222962390 XCLJKJZDMDIPJQ-LJQANCHMSA-N 388.508 3.612 0 40 GHAB O=C(Nc1nc2c(s1)CN(C(=O)/C=C/c1ccccc1)CC2)NC1CCCC1 77196389 PDWWAWHEMLRHKF-ZHACJKMWSA-N 396.516 3.805 0 40 GHAB Cc1cc(NC(N)=S)cc(C)c1NC(=O)c1cccc(Br)c1 45891101 JCVCCCXADGIPFO-UHFFFAOYSA-N 378.295 3.974 0 40 GHAB COc1ccc(Cl)cc1C(=O)NCCSc1nc(-c2ccccc2)n[nH]1 222952739 KMMRICZGMFDCPS-UHFFFAOYSA-N 388.880 3.656 0 40 GHAB O=C(c1cc(=O)c2ccccc2o1)N1CCC(Oc2ncccc2Cl)CC1 96096873 OZUBQZAJDZFZCU-UHFFFAOYSA-N 384.819 3.525 0 40 GHAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cccc(NC(=O)c2ccccc2)c1 96116435 CHKGQTGEWNRDSP-RBBKRZOGSA-N 391.515 3.933 0 40 GHAB biogenic Cc1nc(CO[C@@H]2CSC3(C2)CN(C(=O)c2ccc(F)cc2)C3)cs1 248063459 WJKCLYUODYDNQT-INIZCTEOSA-N 378.494 3.508 0 40 GHAB O=C(NCc1ccccn1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257319005 VQHCROJFSOLVLA-UHFFFAOYSA-N 387.483 3.799 0 40 GHAB CCCCC[C@H](O)CC[C@@H]1[C@H](O)C[C@@H]2Cc3c(cccc3OCC(=O)O)C[C@H]21 255993763 PAJMKGZZBBTTOY-VDRZXAFZSA-N 390.520 3.583 0 40 GHAB C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)C1 253589825 ACHZRINMTVBHMB-ZIGCFVQYSA-N 381.520 3.623 0 40 GHAB Fc1cnc(N2CCC[C@H](c3nnc4ccccn34)C2)nc1-c1ccsc1 642073750 WDTBNKAVAAQDTH-ZDUSSCGKSA-N 380.452 3.771 0 40 GHAB Cc1ccc(-n2cc(C(=O)Nc3cnc4c(c3)CNCC4)c(C(C)(C)C)n2)cc1 644101960 JFFLWQCXHWCOSF-UHFFFAOYSA-N 389.503 3.771 0 40 GHAB CO[C@H]1CCCN(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 685691948 GSBYRWAJBRGCIQ-HNNXBMFYSA-N 382.386 3.924 0 40 GHAB CC(=O)Nc1ccc(CN2CCC[C@](O)(COc3ccccc3F)CC2)cc1 585270157 HJIIRNOLPDFLPA-JOCHJYFZSA-N 386.467 3.580 0 40 GHAB Cc1nc(N[C@H]2CC[C@@H](NCc3cc(F)c(F)c(F)c3)CC2)cc(N(C)C)n1 675082736 CWZXHUHGUROJST-GASCZTMLSA-N 393.457 3.781 0 40 GHAB Cc1nc2cc(C3CCOCC3)nn2c(NCCCN2CCCCCC2)c1C 72337427 MBQLDJJFIXLTIK-UHFFFAOYSA-N 385.556 3.918 0 40 GHAB CCC(=O)N1CCc2cc(C(=O)NC[C@@H](c3ccsc3)N(CC)CC)ccc21 40154368 MYKZMHIWBLWYFT-FQEVSTJZSA-N 399.560 3.860 0 40 GHAB C[C@]12CC[C@H](C[C@@H]1C(=O)N1CCCCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 12184803 HTMJBABCXCNWJE-ZDZLMVPKSA-N 382.504 3.734 0 40 GHAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccccc2-n2cccn2)CC1 12328812 FKPGSEIHEQFTRG-UHFFFAOYSA-N 392.478 3.639 0 40 GHAB O=C(CC1CCCCC1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 13999836 YKICYLLFSZQTFT-UHFFFAOYSA-N 390.549 3.767 0 40 GHAB O=C(NC1CCN(CC2(c3ccccc3F)CCCC2)CC1)C1CCOCC1 19347908 XLIDFXARBZZTET-UHFFFAOYSA-N 388.527 3.645 0 40 GHAB Cc1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1C 164525073 YANNTALWWSENFH-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB CCn1nc(C)c(NC(=O)CCn2c(C(F)(F)F)cc3cccnc32)c1C 12089728 LVLYSPYDCNHCRL-UHFFFAOYSA-N 379.386 3.917 0 40 GHAB CC(=O)NC1(c2ccccc2F)CCN(C[C@H](O)c2ccc(C)c(C)c2)CC1 12188323 PIAJJLJSWJSEJM-QFIPXVFZSA-N 384.495 3.603 0 40 GHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)C[C@H]2NC(=O)c3ccccc32)n1 12227335 SYCYLBXVIKZMLU-IAGOWNOFSA-N 397.525 3.788 0 40 GHAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CC[C@H](n2cc(C3CC3)nn2)C1 245173973 YESUVVPBBBOGLY-INIZCTEOSA-N 378.398 3.581 0 40 GHAB CCCCNC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@H](C)C3 6428775 BRYWXKMIVUVPRY-LBPRGKRZSA-N 393.578 3.611 0 40 GHAB O=C(CSc1nnc(NC(=O)c2ccc(F)cc2)s1)Nc1ccccc1 4077742 REBCTYDHXVFPAX-UHFFFAOYSA-N 388.449 3.660 0 40 GHAB COc1ccccc1CNC(=O)CSc1ccc(-c2ccccc2OC)nn1 4356226 WQQBGYIDLRNPBX-UHFFFAOYSA-N 395.484 3.569 0 40 GHAB CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(C(C)=O)cc2)sc(C)c1C 5145132 BYSBTOYBWJGZAO-UHFFFAOYSA-N 388.445 3.706 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1F 11612875 KLIOSFBVUJYRHV-OAHLLOKOSA-N 394.443 3.537 0 40 GHAB CCOc1cccc2s/c(=N/C(=O)c3c(OC)cccc3OC)n(CC)c12 12378124 XQOWQWAOAVXCNP-QZQOTICOSA-N 386.473 3.880 0 40 GHAB CCOC(=O)Nc1nc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cs1 12440484 RXOALOYAGDGFIU-UHFFFAOYSA-N 389.355 3.791 0 40 GHAB COc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCCC2)cc1 20381693 FENPJDAVVGXLRG-UHFFFAOYSA-N 398.484 3.685 0 40 GHAB Cc1ccccc1NC(=S)N[C@H](C)[C@H](c1cccs1)N1CCOCC1 23182168 GAZVSJWYGOUUHF-CRAIPNDOSA-N 375.563 3.805 0 40 GHAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1nc2ccccc2s1 206840908 NCWVYGKYIWFLLC-AWEZNQCLSA-N 392.440 3.585 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)NCCc3cccc4cccnc34)o2)cc1 40040051 CMPIPCZEILYEHR-UHFFFAOYSA-N 386.455 3.885 0 40 GHAB CSc1ccc(CN(C)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1 40104868 TXDIDRLQUWEEME-UHFFFAOYSA-N 397.500 3.721 0 40 GHAB OCCNCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 20477654 VGCJQRALDCZCDI-UHFFFAOYSA-N 392.330 3.668 0 40 GHAB COC(=O)c1c(C)nc(C(C)(C)C)nc1SCC(=O)N[C@H]1CCCC[C@@H]1C 32810098 ZAZDSAGOYFKDIG-JSGCOSHPSA-N 393.553 3.656 0 40 GHAB C[C@H](C(=O)NCC1CCCCC1)n1nnc(-c2cccc(C(F)(F)F)c2)n1 32910147 VZBZWPZTSPVDLO-GFCCVEGCSA-N 381.402 3.616 0 40 GHAB O=C(C1CCN(c2ccc(-c3ccccc3)nn2)CC1)N1CCc2ccccc2C1 22490506 CQXSAWCHXDWKTC-UHFFFAOYSA-N 398.510 3.945 0 40 GHAB COc1cc(NC(=O)c2c(OC)cccc2OC)ccc1NC(=O)c1ccco1 806994 NJSSGRDJVDTROO-UHFFFAOYSA-N 396.399 3.810 0 40 GHAB COc1ccccc1NC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 937231 NLNJRQZZQQNGJH-UHFFFAOYSA-N 399.830 3.961 0 40 GHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc1OC 1236869 UUZNXJKLEPPUKQ-HXUWFJFHSA-N 395.459 3.587 0 40 GHAB O=C(COc1ccccc1)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1Cl 3166800 AJNIOSKVUUZCFL-UHFFFAOYSA-N 393.770 3.651 0 40 GHAB Cc1cc(C)c(S(=O)(=O)NNc2c(F)c(F)c(F)c(F)c2F)c(C)c1 3208932 FSDLSNULRJENOY-UHFFFAOYSA-N 380.338 3.613 0 40 GHAB COc1cc(C(=O)O[C@@H](C)C(N)=O)ccc1OCc1ccc(Cl)cc1Cl 3482992 AMKNNDWXHZLOJV-JTQLQIEISA-N 398.242 3.612 0 40 GHAB CCC(=O)c1ccc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)cc1 4320412 CTSCDVGXOUUSJP-JOCHJYFZSA-N 381.516 3.974 0 40 GHAB Cc1c(CC(=O)NCCc2ccc(Cl)cc2)c(=O)oc2c(C)c(O)ccc12 4540683 IEDAAJMVLLQUNM-UHFFFAOYSA-N 385.847 3.670 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)NCc2cccs2)n1CC(C)C 4860847 ATGAWUAVEBELTE-UHFFFAOYSA-N 390.534 3.973 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@@H]1CCCO1 5149958 MIWOZAYCQBGPTM-KXBFYZLASA-N 379.387 3.656 0 40 GHAB O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccccc1C(F)(F)F 5388010 WOKDZKGOFZYXEB-UHFFFAOYSA-N 379.363 3.629 0 40 GHAB Cc1c(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)oc2ccccc12 5529469 CFNGLJYAAVMDCZ-KRWDZBQOSA-N 383.469 3.571 0 40 GHAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@H]2C(=O)N1c1ccccc1 6576838 IIZSBLCPCQBVMB-QHAWAJNXSA-N 388.398 3.877 0 40 GHAB COc1ccc(OC)c(C2=NO[C@H](C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)C2)c1 6738533 QDWFYOUSITXXTD-YFYZNPQRSA-N 386.492 3.624 0 40 GHAB CCc1ccc(-n2c(C)nnc2SCC(=O)N2CCc3ccccc3C2)cc1 6943827 YAUXPVMSZMWNGE-UHFFFAOYSA-N 392.528 3.815 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)Cn1nnc(-c2cccc(Cl)c2)n1 7291794 OHRJUOPLNBQKFJ-UHFFFAOYSA-N 396.303 3.757 0 40 GHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 7382317 NOHASNBMLQLRBY-LJQANCHMSA-N 376.859 3.985 0 40 GHAB CCOc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)cc1 7976152 IYDXMUASGQGFHA-UHFFFAOYSA-N 393.443 3.659 0 40 GHAB CCCOc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 8014598 MTQYFZHSPRKTDP-AWEZNQCLSA-N 396.443 3.796 0 40 GHAB Cc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)c(Cl)c1 8215743 CNIRXEDNVVXCHY-GOSISDBHSA-N 381.863 3.594 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2cc3c(s2)-c2ccc(OC)cc2CC3)CC1 8343026 JQMQZRWBHAAQGG-UHFFFAOYSA-N 399.512 3.938 0 40 GHAB CC(C)[C@@H](C)NC(=O)CSc1nnc(SCC(=O)c2ccccc2)s1 8419517 HOQQNIROBOHXOJ-GFCCVEGCSA-N 395.575 3.766 0 40 GHAB COCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 8476821 RDVNADLKKRYZDD-UHFFFAOYSA-N 391.258 3.617 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c1C 8725547 JHYLGFFVMSEHMI-OAHLLOKOSA-N 396.516 3.729 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 8769453 XMTLJSSDPVCVIL-LJQANCHMSA-N 377.488 3.940 0 40 GHAB CCCCN(C)C(=O)[C@@H](C(=O)c1cccc(Cl)c1)n1cc(Cl)ccc1=O 9601550 ZLFKYQRYYFGBQK-QGZVFWFLSA-N 395.286 3.838 0 40 GHAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(Cl)cc1 10119839 ULPWOWUHBQJPLK-UHFFFAOYSA-N 385.836 3.767 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2scnc2c1 10217621 IIYRHULUBGDQOP-UHFFFAOYSA-N 380.878 3.752 0 40 GHAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(OC(F)(F)F)cc1 11521210 NYYVFVVZOSUSAZ-SNVBAGLBSA-N 382.367 3.747 0 40 GHAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccc(N2CCCC2=O)cc1 11549564 RRPTVDSCPHPSOF-UHFFFAOYSA-N 377.366 3.883 0 40 GHAB CN(C)c1ccc(C(=O)/N=c2/sc3cc(Br)ccc3n2C)cc1 11666975 NKLFLIKDSBEFPB-HTXNQAPBSA-N 390.306 3.809 0 40 GHAB COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C)Nc2ncnn21 11694805 VFSIWQINXIDRHZ-PJSAGSTRSA-N 397.866 3.598 0 40 GHAB Cc1ccc(CNC(=O)c2ccccc2NCC(=O)N2CCc3ccccc32)cc1 12536498 KGRHTUCMORBAFC-UHFFFAOYSA-N 399.494 3.926 0 40 GHAB CCN(CC(=O)NC(C)(C)C)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C 12812925 JXYPMYYMNNSTMS-UHFFFAOYSA-N 388.537 3.562 0 40 GHAB CC(C)c1ccccc1OC[C@H](O)Cn1cnc2sc3c(c2c1=O)CCCC3 12854805 UMXNVLIMEDMUKF-OAHLLOKOSA-N 398.528 3.900 0 40 GHAB COc1ccc(NC(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 12984369 FGIGZMAASZBCBK-UHFFFAOYSA-N 395.381 3.651 0 40 GHAB CCOc1ccc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)sc2c1 13011681 PXWJFTLGBODQRN-CYBMUJFWSA-N 399.472 3.779 0 40 GHAB CC(=O)O[C@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC(=O)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 13408700 OTUOJBDLVLSQSL-UNYZHOBMSA-N 388.504 3.668 0 40 GHAB CCOc1ccc(-c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)cc1 13657856 PJRFQWHGWDGLCE-UHFFFAOYSA-N 394.500 3.566 0 40 GHAB CC[C@@H](C(=O)NC1CCCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712398 AIRPFLUUWFZDRV-KRWDZBQOSA-N 386.945 3.724 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1C 14070010 GWVCSCYTXVGELA-UHFFFAOYSA-N 386.451 3.903 0 40 GHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CNc1cccc(C(F)(F)F)c1 15289821 GYLXHHUNVYPRPY-UHFFFAOYSA-N 377.366 3.881 0 40 GHAB CC(C)c1ccc(-c2noc(CN3CCN(c4ccccc4O)CC3)n2)cc1 15378401 XLUMQQMIFYJVPC-UHFFFAOYSA-N 378.476 3.888 0 40 GHAB CCC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1 15608708 HFKLNJCYGWJKKV-OAHLLOKOSA-N 382.460 3.825 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)OCC(=O)N3c4ccccc4C[C@H]3C)c2C)no1 16685463 WJRQMIHUZGAKFS-CYBMUJFWSA-N 393.443 3.525 0 40 GHAB CC(C)OC(=O)c1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1 16740499 LYVWAESJFITZSM-UHFFFAOYSA-N 375.494 3.676 0 40 GHAB COc1cc(C(=O)N(C)CCOc2ccc(Br)cc2)ccc1C 18047528 BEYGYFCLIGHIFI-UHFFFAOYSA-N 378.266 3.917 0 40 GHAB CN1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1cn(C)c3ccccc13)C2 19290456 OKKNLUOFODUWDP-QFIPXVFZSA-N 375.520 3.683 0 40 GHAB CCOCCCN1Cc2cc3c(C)nn(-c4ccc(F)cc4)c3nc2OC1=O 19531003 CQUUAKFNMIWXKX-UHFFFAOYSA-N 384.411 3.609 0 40 GHAB Cc1ccc([C@]2(O)CCN(C(=O)CC3CCN(C4CCCCC4)CC3)C2)cc1 19719878 AFBPVYZXOMSVFZ-DEOSSOPVSA-N 384.564 3.850 0 40 GHAB Cc1nc([C@H]2CCN(C(=O)C(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19766160 CXYOVZCUCWSXJM-AWEZNQCLSA-N 386.883 3.663 0 40 GHAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)[C@H]1CCS(=O)(=O)C1 21588176 QUSMBAWNLIQWCA-KRWDZBQOSA-N 398.509 3.850 0 40 GHAB Cc1ccc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)c(C)c1 22885991 FWXRDYSNIQTNJL-UHFFFAOYSA-N 376.566 3.547 0 40 GHAB Cc1ccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)cc1C(F)(F)F 23008755 BECRKMMAZRIKKB-UHFFFAOYSA-N 383.351 3.531 0 40 GHAB COc1ccc(C(=O)NC[C@@H](c2cccc3ccccc23)N2CCOCC2)cc1 23106363 LGRNBJUNFLDANJ-QHCPKHFHSA-N 390.483 3.652 0 40 GHAB Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 23156958 OFBJGKJMVMTULR-HFAKWTLXSA-N 392.912 3.657 0 40 GHAB COc1ccc2c(CC(=O)N(C)Cc3cnn(Cc4ccccc4)c3)coc2c1 24395102 FFQVOTPOKXWIKG-UHFFFAOYSA-N 389.455 3.887 0 40 GHAB Cc1[nH]c2ccccc2c1CC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 24693363 YHEILPJVKPOZER-OAQYLSRUSA-N 376.435 3.797 0 40 GHAB COc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C)cc1NC(C)=O 26061870 QNPHVUWZCBWWOU-UHFFFAOYSA-N 382.395 3.539 0 40 GHAB C[C@@H](Sc1nccn1-c1ccccc1)C(=O)c1ccc2c(c1)NC(=O)CO2 26128026 WZHGTAQVBRIOIG-CYBMUJFWSA-N 379.441 3.567 0 40 GHAB CCOC(=O)c1cc(C)n(CC(=O)Nc2nc3ccc(OC)cc3s2)c1C 28838691 PIADEZXJQGLPKM-UHFFFAOYSA-N 387.461 3.539 0 40 GHAB COc1ccc(-c2csc(CCNC(=O)c3ccc(OC)c(OC)c3)n2)cc1 31848812 KXYCBLQXCUWJNN-UHFFFAOYSA-N 398.484 3.808 0 40 GHAB COC(=O)c1nn(-c2cccc(Cl)c2)c2c1Cc1cc(OC)c(OC)cc1-2 32093326 BAWUFRDTOJIHMR-UHFFFAOYSA-N 384.819 3.901 0 40 GHAB Cc1nc(C2(NS(=O)(=O)c3cccc(Cl)c3F)CCCCCC2)no1 32435057 GDXZZWFQIZTFIB-UHFFFAOYSA-N 387.864 3.699 0 40 GHAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)O[C@@H](C)C(=O)NC1CC1 32841181 RLLSYAMEYWHAEV-NSHDSACASA-N 394.880 3.508 0 40 GHAB O=C(c1ccc(Br)s1)N1CCC[C@H](c2nnc3ccccn23)C1 32904369 GGZQMCPKEHASCD-NSHDSACASA-N 391.294 3.573 0 40 GHAB C[C@H](Sc1nccn1Cc1ccccc1)C(=O)NC(=O)NC1CCCCC1 32954490 VKERDMRTFGFWPT-HNNXBMFYSA-N 386.521 3.571 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)N3CCSc4ccccc43)CC2=O)cc1 32997861 OENJBEIMJYIZCJ-HNNXBMFYSA-N 382.485 3.577 0 40 GHAB Cc1nnc2n1-c1sc(CCC(=O)O)cc1C(c1ccccc1Cl)=NC2 34121004 PMBAOBLHUHELTG-UHFFFAOYSA-N 386.864 3.659 0 40 GHAB in-vitro COc1cccc(C(=O)NC2CCN(C(=S)Nc3ccccc3C)CC2)c1 35311164 SYKLIRPAFDAMDY-UHFFFAOYSA-N 383.517 3.595 0 40 GHAB Cc1ccc(Br)cc1NS(=O)(=O)c1cc(C)c(C(=O)O)s1 37055159 RJXMLYAMOGPZCM-UHFFFAOYSA-N 390.280 3.626 0 40 GHAB CCCCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)C1CC1 40070268 KNZNONRMERLLGL-CALCHBBNSA-N 392.565 3.758 0 40 GHAB C[C@H]1CN(C(=O)Nc2ccc(Br)cc2Br)C[C@H](C)O1 40098268 FQLYFAQYPYXTQQ-IUCAKERBSA-N 392.091 3.853 0 40 GHAB Cc1nc2ccc(C(=O)O[C@@H](C)C(=O)Nc3nc(C)c(C)s3)cc2nc1C 42469799 OFLCEFQONVEYGJ-LBPRGKRZSA-N 384.461 3.504 0 40 GHAB CCc1ccc2c(CN3CCC(NC(=O)OC(C)(C)C)CC3)cc(=O)oc2c1 47539403 YVJQBOABDBALST-UHFFFAOYSA-N 386.492 3.845 0 40 GHAB Cc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)on1 49371947 OSWNGJQXTJQNRB-OAHLLOKOSA-N 397.866 3.949 0 40 GHAB COc1ccc([C@H]2CC(=O)Nc3c2cnn3C(C)(C)C)cc1CN1CCCC1 49544900 LJBHLMOKOMSDIP-QGZVFWFLSA-N 382.508 3.717 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 56441580 KIIKLKHOLJEDLB-MRXNPFEDSA-N 385.483 3.859 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 56945666 OCSSRWPEKGTXQE-OAQYLSRUSA-N 393.462 3.712 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)c3ccn(-c4cccc(Cl)c4)n3)ccc21 57425426 FYJGDTTZVSLNQY-UHFFFAOYSA-N 380.835 3.687 0 40 GHAB CCc1cccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(CC)cc2=O)c1 57508688 RQMZKAOBIHFTKL-UHFFFAOYSA-N 379.435 3.813 0 40 GHAB Cc1cc(C)n(-c2ccc(CNC(=O)Nc3cccc(Cl)c3N(C)C)cn2)n1 58086223 MOGKLDVCSBHDQE-UHFFFAOYSA-N 398.898 3.925 0 40 GHAB O=C(CCc1ccccc1)NC1CCN(c2cccc(C(F)(F)F)n2)CC1 58195132 JXUOTDDGIPDRMX-UHFFFAOYSA-N 377.410 3.818 0 40 GHAB O=C(NCCc1ccccc1F)NCC1CCN(Cc2cccs2)CC1 60219816 WPONSVBJNWDIIT-UHFFFAOYSA-N 375.513 3.641 0 40 GHAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1nc(-c2ccc3c(c2)COC3)cs1 61337294 MKNYCNIIOAOJRF-LLVKDONJSA-N 382.489 3.933 0 40 GHAB CC(C)CCN1C(=O)c2ccc(C(=O)Nc3nnc(C4CCC4)s3)cc2C1=O 61719196 GGHVCERZSOMFFL-UHFFFAOYSA-N 398.488 3.700 0 40 GHAB CN(Cc1ccccc1)c1c(C(=O)N2CCOCC2)cnc2ccc(Cl)cc12 67288027 GOELURFLFDXINO-UHFFFAOYSA-N 395.890 3.997 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1cccc(C(F)(F)F)c1 71279727 GCROFMAGCOSSDL-ZDUSSCGKSA-N 381.354 3.897 0 40 GHAB CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)cc2C)c1C 71326985 WWHZFFCHBVUZTH-UHFFFAOYSA-N 391.475 3.657 0 40 GHAB Cc1noc(C)c1CC(=O)N1CCC(c2nccnc2Oc2ccccc2)CC1 72363108 CPUOZSYAABCODC-UHFFFAOYSA-N 392.459 3.822 0 40 GHAB CN1CCN(c2ccc(F)cc2NCc2cccc(Br)c2)CC1 83881697 OVAABPCUDNTSKI-UHFFFAOYSA-N 378.289 3.952 0 40 GHAB Cc1ccc(-c2noc(-c3ccc4c(=O)n(CCC(C)C)c(=O)[nH]c4c3)n2)cc1 85601948 YQCDAHPTGQQABR-UHFFFAOYSA-N 390.443 3.761 0 40 GHAB Cc1sc2ccccc2c1S(=O)(=O)N1CCCC[C@@H]1[C@H](O)C(F)(F)F 95442447 DYMAAIZONQBRAE-DOMZBBRYSA-N 393.452 3.676 0 40 GHAB CC(C)[C@@H](NC(=O)N(CCc1cccc(F)c1)C1CC1)c1nnc2ccccn12 95959551 DDRZDAOFKYLYAT-HXUWFJFHSA-N 395.482 3.982 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3c(F)cccc3F)co2)C1 95965067 GROYUWDBBCOZMC-GFCCVEGCSA-N 391.418 3.843 0 40 GHAB CCOc1ccc(NC(=O)c2nnn(Cc3ccccc3Cl)c2OC)cc1 96183582 IYBPHIXVKSOQOM-UHFFFAOYSA-N 386.839 3.639 0 40 GHAB CCN(CC)CC(C)(C)CN[C@H](C)c1cc(O)n2nc(C(C)(C)C)cc2n1 100217944 FBVVUPWHNBHARJ-OAHLLOKOSA-N 375.561 3.751 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CN1CCN(c3ccccc3F)CC1)C2 101213993 VVIPELLXSTTWQD-LANGDILFSA-N 390.543 3.540 0 40 GHAB Cc1nc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)sc1CC(N)=O 103301866 MPXAHILXMQXVMU-KWCYVHTRSA-N 384.567 3.575 0 40 GHAB Cc1nc(C)n(C[C@H]2CCCN(Cc3ccccc3Oc3cccnc3)C2)n1 106176902 JBLAFJCKXXWNSZ-IBGZPJMESA-N 377.492 3.994 0 40 GHAB COc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(OC)c1 106756840 BJLCZXAAQQZDJF-PDGQHHTCSA-N 385.441 3.819 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1cccc(C)c1)S(C)(=O)=O 220494843 CRZQOYONLBQZBG-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB COc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)ccc1OC 222635345 WVAOHHQBLNHGOM-INIZCTEOSA-N 381.881 3.713 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223248142 DYWAKTAHIUHGCJ-LBPRGKRZSA-N 393.892 3.655 0 40 GHAB CCCC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)N[C@H](C)CC 223255245 PAKKSGGARCRPOX-ZIAGYGMSSA-N 383.330 3.881 0 40 GHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1C1CCCC1 223613578 FRFNHQFZNSOYPO-LEWJYISDSA-N 398.576 3.970 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224204865 SSJLPVSEIBXXHO-FQEVSTJZSA-N 396.531 3.872 0 40 GHAB Cc1ccc(-c2noc(CN(C)C(=O)COc3ccc4c(c3)CCCC4)n2)cc1 224465127 ZTJABOJANZRFKX-UHFFFAOYSA-N 391.471 3.961 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(CN2CCOCC2)cc1 224585245 OVMKMHFSDZPUFR-JOCHJYFZSA-N 396.531 3.609 0 40 GHAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1cccc(OC)c1 224585842 IXHOUIWYBCEFPG-FQEVSTJZSA-N 385.460 3.582 0 40 GHAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3cccc(OC)c3)no2)cc1 225825423 LTVRZLHBVWVAKB-CQSZACIVSA-N 381.432 3.564 0 40 GHAB C[C@H]1CCCCN1c1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NC2CC2)n1 226003639 DDXAITUHCWKIDD-CABCVRRESA-N 388.585 3.541 0 40 GHAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H]2c2cc(CO)[nH]n2)cc1 257280891 OMVIJHAXTFBTNW-NRFANRHFSA-N 377.444 3.604 0 40 GHAB Cc1cccc(C(=O)N2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 306124840 CARYHUKGLQCKQU-HXUWFJFHSA-N 383.455 3.729 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2N1Cc1ccc(F)cc1 306135886 PDUYEIZEDZKVJX-VXKWHMMOSA-N 393.437 3.848 0 40 GHAB Cc1cccc(CN2C[C@@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)c1 306145066 ZWPHLOMBQITFSB-FYYLOGMGSA-N 390.508 3.812 0 40 GHAB C[C@H](Sc1n[nH]c(=NCc2ccccc2)s1)C(=O)c1c[nH]c2ncccc12 502293506 NKWCAMQKVKHVGI-LBPRGKRZSA-N 395.513 3.812 0 40 GHAB Cn1nccc1-c1cncc(CNC(=O)c2cccc(Oc3ccccn3)c2)c1 575616690 NQTYIICBJASFGQ-UHFFFAOYSA-N 385.427 3.599 0 40 GHAB Cc1sc(C(=O)O)cc1CN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 582008138 ANGDANLFQJBMIG-OAHLLOKOSA-N 378.881 3.645 0 40 GHAB Cc1cc(O)ncc1C(=O)N1CCCC[C@H]1c1nnc(-c2ccccc2F)o1 583621506 VCOPANMHFAFAJI-INIZCTEOSA-N 382.395 3.652 0 40 GHAB Cc1cccc(OCc2nc(N3CCc4ccccc4C3)ncc2C(=O)O)c1C 585266018 ZEVULDCCYHVIHC-UHFFFAOYSA-N 389.455 3.933 0 40 GHAB CN1CCC[C@@H](CCNC(=O)c2cc3ccccc3n2Cc2ccncc2)C1 616234376 UCSHILLNDLJXSF-SFHVURJKSA-N 376.504 3.546 0 40 GHAB CC(C)C(=O)N1CCC2(CCCCc3ccccc3O[C@H](C)C(=O)NC2)CC1 643565061 ROYWAYTZDJDDTE-GOSISDBHSA-N 386.536 3.561 0 40 GHAB CN1CCC(CNC(=O)c2cnc(-c3ccccn3)s2)(c2ccccc2)CC1 1543336186 ULTRWBNLVHYOPU-UHFFFAOYSA-N 392.528 3.599 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1 1615154379 GBXDEKCMBAHSGC-DEOSSOPVSA-N 392.499 3.732 0 40 GHAB CCCN1CCN(C(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)CC1 1626849584 VOJXUOOGJFZKCI-UHFFFAOYSA-N 382.895 3.847 0 40 GHAB COc1ccc(CCNC(=O)NC[C@H](O)c2cc(-c3ccco3)cs2)cc1 1775969045 UXWFONUFIXKPBF-KRWDZBQOSA-N 386.473 3.592 0 40 GHAB O=C(CCc1ccc(F)cc1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909362 XDBGWKKXSGXRSU-JOCHJYFZSA-N 389.442 3.720 0 40 GHAB C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCC(C(=O)N2CCCCC2)CC1 8938321 WXATZSMUULWRAJ-CQSZACIVSA-N 395.906 3.531 0 40 GHAB O=C(Nc1cccc2cccnc12)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 8986094 QADHHAJGUBNKEO-INIZCTEOSA-N 379.847 3.875 0 40 GHAB Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)no1 2925076 JFDZTWVPHFDMCU-UHFFFAOYSA-N 392.506 3.531 0 40 GHAB COc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 806759 OXOZFJKNDYLPHF-NSHDSACASA-N 379.243 3.994 0 40 GHAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(c3ccc(CC)cc3)[C@@]1(C)Oc1ccccc12 104784932 UQSLSMYRFOPMJB-DXIQSLLYSA-N 396.512 3.973 0 40 GHAB CN1CCN(c2ccc(Cl)cc2NC(=O)CSc2ccc(F)cc2)CC1 23660178 DUTUHIIKOGOCCL-UHFFFAOYSA-N 393.915 3.962 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc2c(n1)[nH]c1ccccc12 4411512 FDBXWUNFLARFRY-LBPRGKRZSA-N 375.457 3.576 0 40 GHAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C 4736208 MFQCWPJHJRCSQB-UHFFFAOYSA-N 386.452 3.669 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(OC[C@H]2CCCO2)c1 24598051 WIGBMVBAOJWMTN-HXUWFJFHSA-N 396.487 3.572 0 40 GHAB CCCc1nnc(SCC(=O)Nc2ccc(Br)cc2)n1CC 7604929 FWQRHOFXDFQXFB-UHFFFAOYSA-N 383.315 3.744 0 40 GHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2OC)CC1=O 7655495 AVECSRQZBNBXHL-CYBMUJFWSA-N 388.851 3.739 0 40 GHAB COc1ccccc1N1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1 57363853 LGYQKNLPLKCEGM-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB CCc1cc(C(=O)N2CCN(c3ccc([C@H](C)O)cc3F)CC2)sc1C 24828468 XTVPSBWVSQMNEK-ZDUSSCGKSA-N 376.497 3.774 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)CC1 9597924 NXVIVVUATKYGPD-MRXNPFEDSA-N 397.519 3.797 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc3ccccc3c2)ccc1O 3297418 NSUCISRKEYCMOG-YRNVUSSQSA-N 377.396 3.749 0 40 GHAB CN(C)c1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 12608708 CYSDCDMSLFYXRO-MDWZMJQESA-N 377.488 3.643 0 40 GHAB CCOC(=O)c1c(NC(=O)c2ccc(N3CCOC3=O)cc2)sc(C)c1C 58195172 OZWDAZVUFCUUPL-UHFFFAOYSA-N 388.445 3.751 0 40 GHAB O=C(CCS(=O)(=O)C1CCCC1)NCC1(c2ccc(F)cc2)CCCC1 48249517 SBTGOCUNWGZQDN-UHFFFAOYSA-N 381.513 3.501 0 40 GHAB C[C@H]1CCCN(Cc2ccc(CNC(=O)Cc3n[nH]c4ccccc34)cc2)C1 58393543 DOTCIQILURRUNW-KRWDZBQOSA-N 376.504 3.654 0 40 GHAB C[C@H]1S[C@]2(C(=O)Nc3ccccc32)N(c2cccc(C(F)(F)F)c2)C1=O 2297482 LSOOPFQAHVSZKC-BMLIUANNSA-N 378.375 3.979 0 40 GHAB CC[C@@H](C)NC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 2258064 NPKHDGXWOKDXQL-GFCCVEGCSA-N 377.423 3.823 0 40 GHAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NCc1ccc(F)cc1 3311944 MDXURFRNCGLYQT-UHFFFAOYSA-N 377.415 3.895 0 40 GHAB aggregator COc1ccc(CS(=O)(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1F 45350644 ZRDPPNHGEMAPQI-UHFFFAOYSA-N 379.384 3.743 0 40 GHAB CCN(CC)[C@H](CNC(=O)COc1ccc(Cl)cc1)c1cccc(OC)c1 10917446 QSKXZPWCMXOTCN-HXUWFJFHSA-N 390.911 3.927 0 40 GHAB O=C1c2ccccc2-c2nn(C[C@@H](O)COc3ccc(F)cc3)c3cccc1c23 12898554 OCUHTSSWTVEOMH-OAHLLOKOSA-N 388.398 3.827 0 40 GHAB CC(C)(C)OC(=O)CN[C@H](CSCc1ccccc1)C(=O)OC(C)(C)C 105852139 CXNYTEAMBHKWNF-MRXNPFEDSA-N 381.538 3.561 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC 12817583 MCCGEQBYWPOQJL-MRXNPFEDSA-N 381.881 3.883 0 40 GHAB CCCCCOc1ccc(S(=O)(=O)NC[C@H]2CCCO2)c2ccccc12 28251873 RFBRZCAFVJPAFI-MRXNPFEDSA-N 377.506 3.866 0 40 GHAB CCCSc1ncc(Cl)c(C(=O)NCC(=O)Nc2ccc(C)cc2C)n1 46086807 BKKGOEZTUDYCSK-UHFFFAOYSA-N 392.912 3.617 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 12908517 MYYSLXBTJDOWRT-UHFFFAOYSA-N 398.509 3.955 0 40 GHAB CCN(CC)[C@@H](CNC(=O)NCCc1cccc(F)c1)c1cccc(OC)c1 12979183 NSDNFEIBZBUKNG-NRFANRHFSA-N 387.499 3.759 0 40 GHAB Cc1ccc(C)c(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)c1 12933582 FAPAOFVMPVIBHI-UHFFFAOYSA-N 385.423 3.548 0 40 GHAB Cc1ccc(NC(=O)CN(C)CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 13062813 KLXPEOURHVHPHK-KRWDZBQOSA-N 397.544 3.783 0 40 GHAB COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)cc1OC 13122474 FGLWCBSGEYDKHZ-FQEVSTJZSA-N 395.484 3.973 0 40 GHAB O=c1c2ccccc2nnn1CSc1nc2c(n1-c1ccccc1)CCCC2 5184612 JXJPHJOOTRXNHD-UHFFFAOYSA-N 389.484 3.606 0 40 GHAB COC(=O)c1sc(NC(=O)/C=C/c2cccc(Cl)c2)c(C(=O)OC)c1C 6254229 SNBWCUHUJYWAJG-BQYQJAHWSA-N 393.848 3.935 0 40 GHAB COc1cc2c(cc1OC)C1=NC(=O)CN1C(SCc1cccc(C)c1)=N2 6216906 JLZNECPPVRWVDP-UHFFFAOYSA-N 381.457 3.536 0 40 GHAB COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](O)c3cc(F)ccc32)c1 96006750 FBDXGBFRLSPVLF-MRXNPFEDSA-N 385.844 3.510 0 40 GHAB COc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)cc1OC 25213073 UNYPKBXCYKELIZ-UHFFFAOYSA-N 396.365 3.677 0 40 GHAB CCOc1cc(C(=O)NCCc2cccs2)cc(Br)c1OC 14228038 QNEWWADARLPYDR-UHFFFAOYSA-N 384.295 3.890 0 40 GHAB CC[C@H](C)c1ccc(NC(=O)COC(=O)/C(=C\c2ccccc2)NC(C)=O)cc1 6619046 DIHITSIVWVNKDU-YIRPMMGJSA-N 394.471 3.859 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3cc(OC)ccc3c2)c1C 9337899 PVEJYQVJHNUYML-UHFFFAOYSA-N 395.411 3.620 0 40 GHAB Cc1cc(OCCCC(=O)NC[C@H]2COc3ccccc3O2)ccc1Cl 6946311 PKLNNPRCRBEBMM-INIZCTEOSA-N 375.852 3.764 0 40 GHAB CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cccc(OCc3cccnc3)c2)C1 67209112 GFIROKUUOXTRCK-NRFANRHFSA-N 387.483 3.794 0 40 GHAB COc1ccc(N(C(=O)c2nn(-c3ccc(F)cc3)ccc2=O)C(C)C)cc1F 68093526 UXOMZWLSWFQEOS-UHFFFAOYSA-N 399.397 3.575 0 40 GHAB CN(Cc1ccsc1)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 7692131 QLDIBRZSCCWJSD-UHFFFAOYSA-N 384.530 3.957 0 40 GHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CC1CCCC1 8231816 MMKYVPOYUWYAGX-UHFFFAOYSA-N 394.537 3.779 0 40 GHAB Cc1cnc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)s1 409012863 JAHOGYSQENDSGP-UHFFFAOYSA-N 396.881 3.798 0 40 GHAB O=C(C[S@@](=O)Cc1csc(-c2ccc(F)cc2)n1)Nc1cccc(F)c1 71801143 CUROQISDKLGXTQ-AREMUKBSSA-N 392.452 3.976 0 40 GHAB Cn1nc(-c2ccccc2)nc1CCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 95453067 DBDNLMVLTJSMMG-ROUUACIJSA-N 380.879 3.598 0 40 GHAB COc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8673478 JNDAVPYXGCAHMQ-GOSISDBHSA-N 389.879 3.935 0 40 GHAB O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1ccccc1 8777474 VAHQUOBWYKIEHM-UHFFFAOYSA-N 398.462 3.645 0 40 GHAB COc1cc(C(=O)Nc2ccc(N3CCCC3)nc2C)ccc1OC(F)F 84028798 UJGBMSMOKATMCX-UHFFFAOYSA-N 377.391 3.853 0 40 GHAB Nn1c(SCc2ccc(Cl)cc2)nnc(Nc2cccc(Cl)c2)c1=O 28535525 PZDSPYCSEIMVJN-UHFFFAOYSA-N 394.287 3.695 0 40 GHAB Cc1cc(C)cc(CN2CCC3(CC2)CN(C)C(=O)c2cn(CC(C)C)nc23)c1 306138714 SFEQAMLNNIBGAR-UHFFFAOYSA-N 394.563 3.775 0 40 GHAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Oc1cccc2cccnc12 35682672 NBBOCUXLQFUQEH-GOSISDBHSA-N 377.444 3.656 0 40 GHAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 409236162 ROMOLLSIQRUQDS-IRXDYDNUSA-N 398.528 3.797 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O)Nc1cccc(Cl)c1 409157923 QPIRHIRQUYYDCC-OVCLIPMQSA-N 388.832 3.721 0 40 GHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)ccc1C 408601724 GRTUNDLYVLAOGS-UHFFFAOYSA-N 380.897 3.897 0 40 GHAB O=C(Cc1cccc(Br)c1)NCC1(c2ccccc2)CCOCC1 125069378 KSRUUYWEYMDHFY-UHFFFAOYSA-N 388.305 3.856 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1OC(F)(F)F)n1nc(-c2ccco2)ccc1=O 62012637 HOBJUZAPKAMVRT-NSHDSACASA-N 393.321 3.602 0 40 GHAB Cc1ccc2nc(-c3ccc(NC(=O)Cn4cnc(C)cc4=O)cc3)sc2c1 36703777 LHASEBJLURKNPW-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB O=C(CCCc1nnc2ccccn12)NCCc1c[nH]c2ccc(Cl)cc12 72402144 AVIAKYDGRXPIBY-UHFFFAOYSA-N 381.867 3.546 0 40 GHAB O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(CCOc3ccccc3)C2)no1 72351298 NNDAXXMGKOVQKN-GOSISDBHSA-N 397.519 3.996 0 40 GHAB Cc1ccccc1OCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 223094293 DAFAEODYWMKFJP-IBGZPJMESA-N 396.531 3.748 0 40 GHAB CSc1ncccc1C(=O)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225757095 LBNYYLFWGHYMGG-UHFFFAOYSA-N 399.545 3.654 0 40 GHAB O=C1CCCN1c1cccc(NC(=S)NC2(c3cccnc3)CCCC2)c1 225870549 VDINXMXONRAIER-UHFFFAOYSA-N 380.517 3.964 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 223582788 RUNOHBXHVFOBNL-HXUWFJFHSA-N 396.531 3.852 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccccc2C)[C@H](C)C(=O)NC(C)C)cc1 225516009 SGXRTPDYMLKNAT-LJQANCHMSA-N 382.504 3.624 0 40 GHAB COc1ccc(-c2ncc(C(=O)N[C@H](C)c3ccc(OC)cc3)c(C)n2)cc1 223146981 RLKGVLCBDKBRCX-CQSZACIVSA-N 377.444 3.960 0 40 GHAB Cc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1Cl 222512434 JKPBODDDRILHJS-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB CCOC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1 225042559 ZIYUUNZFXJPVCH-UHFFFAOYSA-N 383.469 3.907 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1Cl 224020874 HDQPXLSMFOSMLY-LBPRGKRZSA-N 396.896 3.678 0 40 GHAB O=C(NCCOc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1 224552451 HVCXMWGLNTXTNZ-UHFFFAOYSA-N 390.886 3.886 0 40 GHAB C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cn(C)c2ccccc12 1589423565 KWKWDFNVGLXRQY-VLIAUNLRSA-N 389.455 3.575 0 40 GHAB Cc1nncn1-c1cccc(NC(=O)c2cccc(CN3CCCCC3)c2)c1 580701030 CMMUQGBQGKIMKB-UHFFFAOYSA-N 375.476 3.814 0 40 GHAB O=C(NC1CCN(Cc2ccncc2)CC1)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 584031927 HGQQLZCWUBUVKX-XGAFWQRZSA-N 398.938 3.945 0 40 GHAB N[C@H](C(=O)Nc1cccc(Oc2ccc(Br)cc2)c1)[C@H]1CCCO1 685938868 PTBLQLIJUVBVLS-SJORKVTESA-N 391.265 3.686 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ccc(C(F)(F)F)n1 96099009 XFIVHUSZIZQHSD-UHFFFAOYSA-N 398.772 3.949 0 40 GHAB O=C1CCCN1C[C@H](NCc1cc(Br)cs1)c1ccccc1 47794515 GLFVDEMTIKPNIJ-INIZCTEOSA-N 379.323 3.964 0 40 GHAB Cc1ncc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)c(C)n1 1615121488 OFEZNBDSPRYAAJ-JOCHJYFZSA-N 382.483 3.896 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3cccc(F)c3F)C2)CN1c1cccc(F)c1 1615154898 IWOKAMPYYRRALB-NRFANRHFSA-N 390.405 3.502 0 40 GHAB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccco3)[C@@H]2C(=O)N1c1ccccc1 11917795 CWZHOIMVEOWUSX-FHWLQOOXSA-N 394.814 3.984 0 40 GHAB CN(c1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1)S(C)(=O)=O 12414108 JEZKYPKUSRZZDK-HMMYKYKNSA-N 396.468 3.855 0 40 GHAB CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716664 AEWRSSFPYKNXOF-GOSISDBHSA-N 396.459 3.765 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1nnc(-c2ccccc2)s1 18702605 MLWXTNJOKORTRY-UHFFFAOYSA-N 390.262 3.985 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)c3noc4c3C[C@@H](C(C)(C)C)CC4)cc2NC1=O 19462191 CZDOEGVADKBFPY-NEPJUHHUSA-N 383.448 3.797 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CC2)C1 19591005 OJOFKMVRKBOHSA-QFIPXVFZSA-N 382.529 3.722 0 40 GHAB O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1cccc2nsnc12 19080112 OOAAUMDVYWKRCL-UHFFFAOYSA-N 396.540 3.938 0 40 GHAB O=C(Cc1ccsc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 6944681 GXCMUWDWPVAITN-UHFFFAOYSA-N 380.425 3.910 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@H](N(C)c3ncccc3C(F)(F)F)C2)s1 1889139352 QKOBWMFNUXXWAZ-ZDUSSCGKSA-N 398.454 3.915 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)c1ccccc1I 15967038 YJXIBDUHAPOWMM-LLVKDONJSA-N 381.213 3.791 0 40 GHAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 13264795 FTWVHFXOHWTMHG-UHFFFAOYSA-N 383.425 3.765 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C)c1 4138391 LJJLAGUZZMGTNC-UHFFFAOYSA-N 393.472 3.703 0 40 GHAB CN1C(=O)CCc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 9827738 OAYCQFMSBAYUDW-UHFFFAOYSA-N 379.243 3.920 0 40 GHAB O=C(CSc1ccc(NC(=O)C2CC2)nn1)Nc1ccc(Cl)c(Cl)c1 13702029 KSWLHPFGDNYDDP-UHFFFAOYSA-N 397.287 3.863 0 40 GHAB CN(Cc1ccncc1)[C@@H]1CCC[C@@H]2CN(C(=O)/C=C/c3cccs3)C[C@@H]21 2055746555 ZRJXGUOWVBTNIY-ZDNOTYCCSA-N 381.545 3.915 0 40 GHAB CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(Cl)cc2)CC1 22460212 WQQYLQYIMKCFSM-BEFAXECRSA-N 391.968 3.899 0 40 GHAB O=C(NCCn1nc(-c2ccccc2)n(C2CC2)c1=O)Nc1ccccc1Cl 585199364 IHTKTEMDAPWBND-UHFFFAOYSA-N 397.866 3.522 0 40 GHAB Cc1cc(C)c(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)cc1C 585148199 QWIFONJIWQRITF-IBGZPJMESA-N 385.485 3.884 0 40 GHAB O=C(Nc1cccc(Oc2cnccn2)c1)C1(c2ccccc2)CCOCC1 25264815 KPTYPGDQPPUKAJ-UHFFFAOYSA-N 375.428 3.956 0 40 GHAB CCCCc1nc(C)c(C(=O)N2CCC(c3nnc4ccccn34)CC2)s1 40093861 ACGUKAAYXVNGBB-UHFFFAOYSA-N 383.521 3.857 0 40 GHAB CC(=O)N1CCC(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 40005476 XIBGOSFNZGFMLH-QFIPXVFZSA-N 375.472 3.692 0 40 GHAB O=C(CNc1ccc(-n2cnnn2)cc1)Nc1ccccc1Oc1ccccc1 40162285 HLFMPGQZIFKEMB-UHFFFAOYSA-N 386.415 3.505 0 40 GHAB CC(C)Oc1cccc([C@@H](C)NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 40112896 QDBOFQPGUHEQTL-OAHLLOKOSA-N 379.460 3.520 0 40 GHAB Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)c1 100626176 PRLYJWJHXKEZHV-VXAPCQRLSA-N 398.462 3.805 0 40 GHAB O=C(O)[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc12)N1CCSCC1 20744705 APZQEAIFVRLAEH-HXUWFJFHSA-N 382.485 3.921 0 40 GHAB O=C(NCCN1CCCCCC1=O)c1ccc(C2SCCCS2)cc1 32308682 GEMASEZTSVLOCN-UHFFFAOYSA-N 378.563 3.688 0 40 GHAB COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)cc(OC)c1OC 102659224 RKJYLUJAVFGLOP-KRWDZBQOSA-N 384.436 3.612 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)N[C@@H](C)c3ccccc3)n2)cc1C 41254983 SRWXKHOCUFLTHE-SFHVURJKSA-N 375.472 3.795 0 40 GHAB CSc1ccc(CN(C)C(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1 32966529 ZNBMRVZSOFETGO-LJQANCHMSA-N 388.508 3.961 0 40 GHAB Cc1ccccc1Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1 788027 BHUUYBBZXIEVKW-UHFFFAOYSA-N 382.264 3.806 0 40 GHAB Cc1ccc(S(=O)(=O)C(NC(=O)c2ccc(F)cc2)=C(Cl)Cl)cc1 941206 KXGWFKACKQHWID-UHFFFAOYSA-N 388.247 3.942 0 40 GHAB CN(C(=O)c1ccccn1)C(C)(C)C(=O)NC(c1ccccc1)c1ccccc1 1418774 UJCVGVLESLAIPS-UHFFFAOYSA-N 387.483 3.838 0 40 GHAB CCCc1nc2oc3c(NCCN(C)C)ncnc3c2c2c1COC(C)(C)C2 2340118 ISURGKMPYJIJMY-UHFFFAOYSA-N 383.496 3.548 0 40 GHAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccc(Cl)cc2)c1 2406409 LNJLEXMUKBJUSX-UHFFFAOYSA-N 393.874 3.716 0 40 GHAB COc1cc(SC)ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 2617220 HLRMHGZYDCHBOE-ZDUSSCGKSA-N 387.457 3.804 0 40 GHAB O=C(CSCC(=O)Nc1nc(-c2cccs2)cs1)Nc1nccs1 2723384 POTUVHOBLDTMLI-UHFFFAOYSA-N 396.544 3.639 0 40 GHAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N3CCCCC3)cc12 3228693 OQROHZXDTYWAIQ-UHFFFAOYSA-N 383.473 3.565 0 40 GHAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 3239158 MYXXCIXFOZSTSC-UHFFFAOYSA-N 394.378 3.897 0 40 GHAB O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NC1CCCCCC1 3311618 VAFJPPWHGIKMJW-UHFFFAOYSA-N 375.472 3.903 0 40 GHAB COc1ccc(N2C(=O)C[C@@H](NCCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 4452355 KQEYEBRIWWCAEL-LZGZYFLISA-N 382.504 3.523 0 40 GHAB COc1ccc(C(=O)CSc2nnc3c4cc(C)ccc4n(C)c3n2)cc1 4856255 XLBGJIBJNKEDSL-UHFFFAOYSA-N 378.457 3.809 0 40 GHAB O=C(Nc1ccc(F)cc1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 5305010 YDQBLAJECKVIGC-UHFFFAOYSA-N 391.377 3.975 0 40 GHAB CCNC(=O)NC(=O)[C@@H](Sc1ccc2c(c1)OCCCO2)c1ccccc1 5365905 IQQQEKIXDQQBOP-SFHVURJKSA-N 386.473 3.527 0 40 GHAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc2ccccc2[nH]1 5532014 IEZOASOASKQXNN-UHFFFAOYSA-N 376.456 3.806 0 40 GHAB COCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2 5562584 ZFHJXKLQOWPJBQ-SJORKVTESA-N 397.866 3.663 0 40 GHAB COc1cc(C)c(NC(=O)COc2ccc(Br)cc2)cc1OC 5616966 AJKYNYULUGGFQW-UHFFFAOYSA-N 380.238 3.792 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5980802 SCCYWLAAJJHMHX-UHFFFAOYSA-N 395.333 3.678 0 40 GHAB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(OC)c(OC)c3)c2C(N)=O)C1 6119430 AGVACDJFSSHMQL-LLVKDONJSA-N 388.489 3.631 0 40 GHAB Cc1cccc(-c2nc3s/c(=C/c4ccc(Cl)c(Cl)c4)c(=O)n3n2)c1 6201755 NQWHGKAHEVUIRV-OQLLNIDSSA-N 388.279 3.981 0 40 GHAB CC(C)(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6232429 LFKIEWJHVFXDHI-HNNXBMFYSA-N 394.471 3.747 0 40 GHAB COc1cccc(N2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 6832100 UYFQASPKEVODKZ-UHFFFAOYSA-N 379.287 3.893 0 40 GHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cccc(N2CCCC2=O)c1 6988691 YRNDJJZZFWCHHA-UHFFFAOYSA-N 394.406 3.574 0 40 GHAB CCCc1nnc(S/C(=C\c2ccc(OC)c(Br)c2)C(=O)O)[nH]1 7342275 FJIWCQCKZRUDNW-WQLSENKSSA-N 398.282 3.746 0 40 GHAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC 7375876 VLCJAMSSDOUFFZ-UHFFFAOYSA-N 384.295 3.669 0 40 GHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 7407409 KPWFKZFKUQCKIM-UHFFFAOYSA-N 389.459 3.882 0 40 GHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Br)cc1 7706148 QYSIVDOPCHWOFS-CYBMUJFWSA-N 385.265 3.863 0 40 GHAB Cc1cc(Cl)ccc1OCCCC(=O)NC[C@H]1COc2ccccc2O1 7757169 BQUPITFOFALPTG-INIZCTEOSA-N 375.852 3.764 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 7871828 VOYGELLVODXHFH-UHFFFAOYSA-N 390.288 3.831 0 40 GHAB Cc1ccc(Oc2ccc(NC(=O)CSc3nnnn3C3CC3)cc2)cc1 8074360 OGACDQHTGQKSPL-UHFFFAOYSA-N 381.461 3.840 0 40 GHAB O=C(c1cnc2ccccc2n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8279468 SWFPIKTYRGQSMA-IBGZPJMESA-N 375.428 3.768 0 40 GHAB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Cl 8477372 JRRUJVOEWUCQPA-XBUHWIKASA-N 390.867 3.922 0 40 GHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 8716533 RCQHMEUZNZHXAN-ZDUSSCGKSA-N 384.457 3.532 0 40 GHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc2cccnc12 9638835 KZZRDABCISRJBL-UHFFFAOYSA-N 390.468 3.933 0 40 GHAB COc1ccc2cc(CNC(=O)C[C@H](NC(C)=O)c3ccccc3)ccc2c1 9875548 CPFOPBQVKYBQCC-QFIPXVFZSA-N 376.456 3.732 0 40 GHAB O=C(CSc1nnnn1Cc1ccco1)c1ccc2c(c1)-c1ccccc1C2 11306829 IVAFHOITYMALKE-UHFFFAOYSA-N 388.452 3.861 0 40 GHAB NC(=O)N[C@H](CC(=O)OCc1cc2ccccc2nc1Cl)c1ccccc1 11939836 MNWWFVKFJKRRTA-QGZVFWFLSA-N 383.835 3.731 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4CCCCC4)C3)cc2n1 12257867 NETYWGKQMISNPI-CQSZACIVSA-N 380.414 3.953 0 40 GHAB CC(=O)N1CCCc2cc([C@@H](O)CN3CC=C(c4ccc(F)cc4)CC3)ccc21 12291160 LOLAGMUUKAEGDQ-DEOSSOPVSA-N 394.490 3.948 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Br)o1)CC3 12390060 FMIONGVYKALYEV-UHFFFAOYSA-N 375.222 3.731 0 40 GHAB biogenic Cn1ccnc1[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1F 12507767 DKBRKAKKWNAOIN-GOSISDBHSA-N 375.806 3.800 0 40 GHAB COc1cc(CCC(=O)Nc2nc(-c3ccccn3)cs2)cc(OC)c1OC 12541203 UPWVUBSKQYQNNA-UHFFFAOYSA-N 399.472 3.802 0 40 GHAB Cc1cc(C)cc(OCC(=O)NC[C@H](c2c(F)cccc2Cl)N(C)C)c1 12802866 VFKSEOYPTSOVIU-GOSISDBHSA-N 378.875 3.894 0 40 GHAB CSc1ccccc1NC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 12867227 HXQHIVRBKMRUQR-OAHLLOKOSA-N 381.505 3.621 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)Cc2csc(-c3ccco3)n2)c(C)c1 12886650 TUHNRFWUBISHAN-UHFFFAOYSA-N 383.473 3.626 0 40 GHAB C[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1Br 12927892 YXUZNBMUAFEEOR-NSHDSACASA-N 392.684 3.961 0 40 GHAB COC(=O)CCCNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 12932006 FLYDIXPWTYANER-VAWYXSNFSA-N 395.484 3.683 0 40 GHAB O=C(NCc1ccc(N2CCCC2)nc1)c1cc(Br)ccc1F 12951956 VXVYTDMZIBWXEY-UHFFFAOYSA-N 378.245 3.513 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCc2ccccc2C)cc1 12979849 NRJQQTACVJFZTN-UHFFFAOYSA-N 382.489 3.631 0 40 GHAB COc1cc(C(=O)N2CCC(C(=O)O)CC2)cc(Cl)c1OCCC(C)C 13167461 YPHIVRRJMDSHQY-UHFFFAOYSA-N 383.872 3.710 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N2CCC[C@@H](C)C2)cc1 13675508 QUSLRCHIAUVOQC-QGZVFWFLSA-N 386.517 3.692 0 40 GHAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3cccs3)c(=O)[nH]c2c1 13814266 STHIWYDEIBPMNY-KRWDZBQOSA-N 382.485 3.719 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)N[C@@H](C)c3ccc(C)c(C)c3)C(=O)[C@@H]2C)cc1 14264141 ZLEBBHOMWJFLSX-ROUUACIJSA-N 393.487 3.646 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)O 14632453 UOTMVQOBPGRHDW-JQWIXIFHSA-N 376.236 3.835 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1cccc(Cl)c1 15391284 YBPCMBSYYLIGFH-HNNXBMFYSA-N 398.937 3.974 0 40 GHAB CCNc1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c(=O)oc2ccccc12 16681913 PTVSNMHWVJJOIK-ZRDIBKRKSA-N 394.427 3.894 0 40 GHAB CC[C@H]1CCCCN1S(=O)(=O)c1cc(Br)c(C)cc1OC 16780205 PGZGPXWISXSGJT-LBPRGKRZSA-N 376.316 3.719 0 40 GHAB Cc1ccc([C@H]2CCCN2C(=O)C[C@H]2NC(=O)N(C3CCCCC3)C2=O)cc1C 19213714 WBKVUWSUUFEYFX-WOJBJXKFSA-N 397.519 3.610 0 40 GHAB O=S(=O)(c1ccccc1)N1CCCC[C@@H]1c1nnc(-c2ccsc2)o1 19373651 UGDYASRZZWPPEB-OAHLLOKOSA-N 375.475 3.714 0 40 GHAB COc1ccccc1-c1ccc(C[C@@]2(C(N)=O)CCN(C(=O)CC(C)C)C2)cc1 19446164 JQPSMPWQAKRVPY-DEOSSOPVSA-N 394.515 3.655 0 40 GHAB COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)CC(C)C)CCNC3=O)cc2)cc1 19446481 GJOKEKLFSKGTAH-OAQYLSRUSA-N 394.515 3.525 0 40 GHAB COc1ccc(-c2cc3ncccc3c(NCCNC(=O)c3ccncc3)n2)cc1 19558115 ZWYIUGGSOFGHLG-UHFFFAOYSA-N 399.454 3.542 0 40 GHAB Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3c2nc(C)cc(C)n2)c1 19713356 DDEWEOYPVJGLRW-RTWAWAEBSA-N 378.520 3.952 0 40 GHAB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C)cc2)o1 19928426 KXSCWQMCELILTE-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB CC(=O)c1ccc(N2CCN([C@H](C(=O)O)c3c[nH]c4ccc(C)cc34)CC2)cc1 20731478 LABFLDSLCDGMHD-QFIPXVFZSA-N 391.471 3.627 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)c(OC)c1 21595253 VUYRHQRLYQCHTD-UHFFFAOYSA-N 384.379 3.849 0 40 GHAB CSc1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 23017601 GOXXXCISJZEYTK-INIZCTEOSA-N 388.558 3.981 0 40 GHAB O=C(CCNC(=O)c1ccco1)Nc1nc2ccc(OC(F)(F)F)cc2s1 24974655 VIXDNMYVSYTSME-UHFFFAOYSA-N 399.350 3.547 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)o1 25670420 QHWVXWXKNFIZOJ-MKOLQDEYSA-N 378.425 3.566 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCCCOC 30758813 YXRBWWUDCZZWPU-OAQYLSRUSA-N 398.503 3.866 0 40 GHAB O=S(=O)(NCc1cccnc1Oc1cccc(F)c1)c1ccc(F)cc1 32437740 WIYUWYNCWUHGAE-UHFFFAOYSA-N 376.384 3.631 0 40 GHAB C[C@@]1(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)Cc2ccccc2C(=O)O1 32904466 MSRYDEZVIWNAEM-DEOSSOPVSA-N 386.451 3.955 0 40 GHAB CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)C1(C)C 35092916 YPUZNAKLWQCVIE-SLFFLAALSA-N 389.561 3.749 0 40 GHAB CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)cc1 35292214 OPSOCQHZTGGWPW-UHFFFAOYSA-N 381.476 3.820 0 40 GHAB CCc1ccc(N2CC3=C(C2=O)[C@@H](c2ccc(Cl)cc2)NC(=O)N3C)cc1 35326468 UZVALQVHPIVLEI-LJQANCHMSA-N 381.863 3.899 0 40 GHAB C[C@@H](OC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1)c1ccccc1 39983202 OMPFCXGYISMVCF-ZBFHGGJFSA-N 376.499 3.884 0 40 GHAB Cc1ccc(CC(=O)OCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 40057350 HCXRMZKWOOBLPN-UHFFFAOYSA-N 389.455 3.783 0 40 GHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCN(C(=O)c2ccncc2)CC1 40059610 JCVSXDZDIYAZDE-UHFFFAOYSA-N 395.547 3.609 0 40 GHAB COc1ccc(-c2cc(C(=O)NC[C@@H]3CCOC3)c3ccccc3n2)cc1OC 40089186 URIXWWAQYUOQNH-HNNXBMFYSA-N 392.455 3.685 0 40 GHAB CC(=O)N(CC(C)C)c1nc(C)c(C(=O)NCCc2c[nH]c3ccccc23)s1 40312808 GHYAKVMOHTWKDF-UHFFFAOYSA-N 398.532 3.914 0 40 GHAB biogenic O=c1c2ccccc2cnn1CN(Cc1ccccc1Br)C1CC1 46478649 ACCMQFCFNHEOHX-UHFFFAOYSA-N 384.277 3.781 0 40 GHAB CN(C)C(=O)COc1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1 52429337 BVHSNNGSEWCNOQ-UHFFFAOYSA-N 387.789 3.833 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CCN(c2ccc(F)cc2)CC1 52635608 ICBYKPOVVGAYKE-ZDUSSCGKSA-N 379.838 3.767 0 40 GHAB COc1cccc(CN2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)c1 54278239 CPYCTZGSGIQKPK-UHFFFAOYSA-N 377.440 3.951 0 40 GHAB O=C(CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)Nc1ccc(O)cc1 54360758 WAKNRFUEIBEEGH-WJDWOHSUSA-N 386.404 3.596 0 40 GHAB CC(C)C(=O)NCCNC(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C 58018348 NDZKLXAOQBHFDF-UHFFFAOYSA-N 399.491 3.689 0 40 GHAB COC(=O)c1cccc(CSCc2nc(N)nc(Nc3ccccc3C)n2)c1 58055352 GQTNUWOVRZAQKK-UHFFFAOYSA-N 395.488 3.726 0 40 GHAB CCN(CC)[C@H](CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2)c1ccccc1 60213222 JFRWCGLAUDVJGW-HXUWFJFHSA-N 396.531 3.935 0 40 GHAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1ccc(-c2ccccc2)cc1 69568407 PDKUIOCMCQDBGM-UHFFFAOYSA-N 388.471 3.907 0 40 GHAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)CCc2ccco2)CC1 72348284 VJHCDXAPYGBEHK-UHFFFAOYSA-N 397.862 3.657 0 40 GHAB CCCC(=O)N1CCN(CCC)C(=O)[C@@H]1Cc1ccc(-c2ccncc2)cc1 72351847 YSAYWCCOSAMXTK-NRFANRHFSA-N 379.504 3.541 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ccc(Nc4ncccn4)cn3)C2)s1 72353331 SFTHLKDMPXCELK-OAHLLOKOSA-N 394.504 3.708 0 40 GHAB Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)c1 72362373 YIMXJGGERFTVGC-LJQANCHMSA-N 388.471 3.921 0 40 GHAB CCn1ccnc1CN1CCC[C@@H](c2nccnc2Oc2cccnc2C)C1 72384464 YSKWCDCCVGOCOP-QGZVFWFLSA-N 378.480 3.568 0 40 GHAB O=c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)nc(-c2cccnc2)[nH]1 72393130 SDPJENHEZSMRDZ-IBGZPJMESA-N 397.482 3.760 0 40 GHAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CC1 72398560 UFDXKTKGIQUDIZ-UTKZUKDTSA-N 385.458 3.839 0 40 GHAB O=C1NCCCC[C@@H]1NCc1ccc(OCc2c(F)cccc2Cl)cc1 84339058 OIGNJEHSJNJIDN-IBGZPJMESA-N 376.859 3.816 0 40 GHAB COc1ccccc1NC(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 90582817 SLDWEHUTYKDBBZ-UHFFFAOYSA-N 398.444 3.587 0 40 GHAB O=C(Nc1nc2c(s1)CN(C(=O)/C=C/c1ccco1)CC2)c1ccsc1 90582862 SLVZOENWVPODQR-ONEGZZNKSA-N 385.470 3.648 0 40 GHAB O=C(NC1CCN(c2ccccn2)CC1)c1cnoc1-c1ccc(Cl)cc1 95430191 MMLHHWWWLWFHML-UHFFFAOYSA-N 382.851 3.789 0 40 GHAB Cc1cc(-c2nnc3sc(-c4cccc(C(F)(F)F)c4F)nn23)n(C)n1 95472300 QCIZLICCWJPODO-UHFFFAOYSA-N 382.346 3.720 0 40 GHAB Fc1cccc(-c2nc3c(c(NC4CC4)n2)CN(Cc2nccs2)CC3)c1 96254228 IRPQVYBJSZESBA-UHFFFAOYSA-N 381.480 3.872 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cc(C(F)(F)F)ccn1)C(C)C 97236430 IFPULAOMTMERPR-MRXNPFEDSA-N 379.382 3.802 0 40 GHAB COc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 100750252 ZFKFRZUOEWGLBT-QEEYODRMSA-N 387.911 3.980 0 40 GHAB CCOC[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(CC)cc1 218649129 CFQISRVUFFPHTG-UFYCRDLUSA-N 393.936 3.576 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1F 222992620 NOBIQBBEVPAQDD-QGZVFWFLSA-N 386.467 3.538 0 40 GHAB CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(OC)cc1 224871834 JMWDRDSCJRWMPH-UHFFFAOYSA-N 385.869 3.581 0 40 GHAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)NCc1ccco1 224884086 ICFUHOKZAZODFN-UHFFFAOYSA-N 375.222 3.946 0 40 GHAB Cc1cccc(CS(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225154222 GXUBNPYYAQAVGW-UHFFFAOYSA-N 376.503 3.894 0 40 GHAB CCc1cc(I)ccc1NC(=O)c1ccc(C)c(N)c1 226269002 OIUPLJRKODDQGZ-UHFFFAOYSA-N 380.229 3.997 0 40 GHAB Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3ccncc3)C2)c(Cl)cc1Cl 253471326 BVTGDJXNDMPFBR-CYBMUJFWSA-N 387.288 3.539 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCc2cccc(OC)c2)[C@@H]1c1ccc(C)cc1 257235868 GZXDFQIIRLCHSB-IRLDBZIGSA-N 380.488 3.620 0 40 GHAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 408558925 KNTYBPTZYOYSKI-INIZCTEOSA-N 396.468 3.784 0 40 GHAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCCOC(C)C)cc1 408679335 VZCHWRPZFFCPSO-UHFFFAOYSA-N 394.471 3.729 0 40 GHAB O=C(NCc1nccnc1-c1ccoc1)c1ccc(Oc2nccs2)cc1 575621079 UNOGLVNKLBQFBT-UHFFFAOYSA-N 378.413 3.915 0 40 GHAB O=C(c1cnn2c1CCC2)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 576307973 SAZUFEGNROQEQN-CQSZACIVSA-N 397.866 3.553 0 40 GHAB Cc1c(CNC(=O)N2CCO[C@]3(CCCOC3)C2)sc2ccc(Cl)cc12 585082878 FIYOZFLZRRPKFF-LJQANCHMSA-N 394.924 3.954 0 40 GHAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2sc(C(C)C)nc2C)cc1 642362382 BUJKWAXQVOYAKH-SFHVURJKSA-N 387.549 3.687 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)s2)cc1 669891229 BASXKXXXWYMZMJ-OAHLLOKOSA-N 387.482 3.727 0 40 GHAB Cc1c(Cl)cccc1C(=O)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 1565547902 YDZZRKPRROTSIR-OAQYLSRUSA-N 383.879 3.703 0 40 GHAB Cc1ccc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c(C)c1 1615118426 CEAGJKWDFDICOW-HSZRJFAPSA-N 382.479 3.841 0 40 GHAB COc1ccnc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)c1 2037988454 KHDRFXMILIGXDR-QRWLVFNGSA-N 383.467 3.749 0 40 GHAB Cn1nc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c2ccccc2c1=O 8943056 WOXGXERLWDRFKU-UHFFFAOYSA-N 396.406 3.994 0 40 GHAB CN(C)c1ccc(CCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 47306010 NBVDXZXHCDTAHX-UHFFFAOYSA-N 379.548 3.714 0 40 GHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1OC 12416169 WCECELIBPAGHNO-OAHLLOKOSA-N 379.416 3.583 0 40 GHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)c1 786251 IBOMXTUCPMMNET-UHFFFAOYSA-N 397.456 3.953 0 40 GHAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2)n1C 899452 LLGPOJAFUPZQGD-CQSZACIVSA-N 382.489 3.918 0 40 GHAB C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)[C@H]1C[C@H]2CC[C@H]1C2 104016206 VLQSNDFGVIUZGP-IWKLRQMXSA-N 390.474 3.758 0 40 GHAB O=C(NCCc1nc(-c2ccncc2)cs1)c1ccc(NC(=O)C2CC2)cc1 78975606 PSRZOMBGXQPOEL-UHFFFAOYSA-N 392.484 3.526 0 40 GHAB CC[C@@H](O)CCCNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 78964162 UKSWKGRZKQHRJR-MRXNPFEDSA-N 389.496 3.875 0 40 GHAB CN(C)S(=O)(=O)c1ccc(CN2CCCCC[C@@H]2/C=C/c2ccccc2)o1 79058698 HUNHTACSSPVVDU-JXOMPUQVSA-N 388.533 3.988 0 40 GHAB O=C(CN(CCC(F)(F)F)C1CCCCC1)NC(=O)NCc1cccs1 79055947 ZCMSLCNCVRAHMK-UHFFFAOYSA-N 391.459 3.661 0 40 GHAB COc1ccc(Br)c(CC[C@@H](CO)C2=CCC3(CC2)OCCO3)c1 1623158 KYSQACQMQSNUDP-INIZCTEOSA-N 397.309 3.852 0 40 GHAB COC(=O)c1[nH]/c(=N/C(=O)CCc2cn(C)c3ccccc23)sc1C(C)C 79477257 WCBIIWDXPGNUOK-UHFFFAOYSA-N 385.489 3.538 0 40 GHAB O=C(NC1CC1)c1ccc(N[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 23055089 JFLKNGQIMATCRO-NRFANRHFSA-N 377.488 3.745 0 40 GHAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(CSc2ncn[nH]2)cc1 23039799 PFANTNPPSYSJKZ-UHFFFAOYSA-N 382.445 3.511 0 40 GHAB CCOc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1 4092760 CXSSCPPYFDIMTE-UHFFFAOYSA-N 399.501 3.708 0 40 GHAB CCCn1nc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c2ccccc2c1=O 23763871 VNYBDYGXVKMYNO-ZDUSSCGKSA-N 385.414 3.918 0 40 GHAB COc1cc(C)c(NS(=O)(=O)c2ccccc2Br)cc1OC 7050732 NAEDQZKLGIXYPU-UHFFFAOYSA-N 386.267 3.576 0 40 GHAB Cc1nn(CC(C)C)c2sc(C(=O)NC[C@H]3COc4ccccc4O3)cc12 24578268 UNOTXQFHNGKOHR-AWEZNQCLSA-N 385.489 3.632 0 40 GHAB CCc1cccc(C)c1NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O 8202373 KLSZWEOPWYBZHL-UHFFFAOYSA-N 394.924 3.611 0 40 GHAB CCOC(=O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(C)C)[C@@H]3C2=O)ccc1Cl 100302167 XEDHQPKGHYCFHA-OSLDLMBLSA-N 385.847 3.775 0 40 GHAB Cc1c(C(=O)N2CCC3(CC2)OCCO3)c2ccccc2n1Cc1ccccc1 34985155 ANWFDXCWVUPPNO-UHFFFAOYSA-N 390.483 3.977 0 40 GHAB O=C1CCCCCN1Cc1nnc(SCc2ccccc2)n1-c1cccnc1 12558052 MWYWHMWDQWUBPV-UHFFFAOYSA-N 393.516 3.857 0 40 GHAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(Cl)ccc1N1CCCCC1)CS2 12521481 ZFOWJXWDAZUSBD-LPHOPBHVSA-N 393.940 3.723 0 40 GHAB COc1ccc(CCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 9063290 UWYNTGHVEZQCKA-UHFFFAOYSA-N 386.923 3.920 0 40 GHAB Nc1nc2nc3c(c(-c4cccc(Oc5ccccc5)c4)c2c(=O)[nH]1)C(=O)CCC3 20673631 ODGRSHCVAYFYEO-UHFFFAOYSA-N 398.422 3.879 0 40 GHAB Cc1nc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)sc1C 100117520 JIUBTQDPOUSQCC-OAJLEGQYSA-N 396.516 3.686 0 40 GHAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)[C@@H](C)c3ccccc3)n(C)n2)CC1 100687698 ZRPGULSCSIITAH-CMKODMSKSA-N 382.552 3.675 0 40 GHAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1 20418967 NMKWIHNVGNWCHA-UHFFFAOYSA-N 396.468 3.639 0 40 GHAB COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc(Cl)c1OC(C)=O 2259957 PLJVEYXOAXVFIJ-CHHVJCJISA-N 389.766 3.758 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2ccc(F)cc2F)c1 12759408 IXCMHTLSMZCBKD-GFCCVEGCSA-N 388.443 3.698 0 40 GHAB O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@H]1Cc2cc(Cl)ccc2O1 12766718 SMIYAQSGXNLRES-MRXNPFEDSA-N 375.215 3.516 0 40 GHAB CCCc1noc(CCC(=O)Nc2cccc3c2CN(c2nccs2)C3)n1 95444060 IZHNDYHXYDDWFN-UHFFFAOYSA-N 383.477 3.570 0 40 GHAB CC(C)(C)c1ccc(OCCC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1 11362597 JDGSRTAPIOUCJY-UHFFFAOYSA-N 390.505 3.763 0 40 GHAB COc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc(OC)c1 11424209 KXZDZBACBMRMKB-UHFFFAOYSA-N 381.407 3.770 0 40 GHAB O=C(/C=C/c1ccccc1)OCC(=O)c1ccc(-n2nncc2-c2ccco2)cc1 2684863 ILNJUCBSBXIFBS-MDWZMJQESA-N 399.406 3.967 0 40 GHAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 2653603 OTIBDXSMQJLVQE-QGZVFWFLSA-N 394.471 3.574 0 40 GHAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(C(=O)C2CC2)CC1 12912894 ZWLOKULDLXSAIP-UHFFFAOYSA-N 391.496 3.658 0 40 GHAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)Oc2ccccc21 12928257 UADHVKIWJNQDKV-INIZCTEOSA-N 378.400 3.754 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H]2C(C)(C)O)cc1NC(=O)c1ccccc1F 95432281 RRGHSOBXKDFYPW-LJQANCHMSA-N 384.451 3.762 0 40 GHAB O=C(Cc1ccccc1C(=O)O)Nc1[nH]nc(C(F)(F)F)c1-c1ccccc1 71289165 ZAYHSHUUAGSTMS-UHFFFAOYSA-N 389.333 3.975 0 40 GHAB COc1ccc(NC(=O)C[C@@H](C)NC[C@H](c2cccs2)N2CCCC2)cc1 23249367 CEGXHAUTNCZCFV-VQIMIIECSA-N 387.549 3.901 0 40 GHAB COc1ccc2ccccc2c1[S@@](=O)Nc1ccc(N2CCN(C)CC2)cc1 4053742 ALIMEBYZQDJQLY-NDEPHWFRSA-N 395.528 3.735 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)Cc1ccc(Cl)c(Cl)c1 5246227 CUQJEJCXVKDPAQ-UHFFFAOYSA-N 384.259 3.878 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(O)cc3s2)cc1Cl 4776878 SWYFDIZPRFEBMS-UHFFFAOYSA-N 393.877 3.791 0 40 GHAB Cc1cc(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)no1 9313729 NZERKJVGDFRZQY-NRFANRHFSA-N 390.443 3.902 0 40 GHAB CSCC[C@H](NC(=O)c1c(F)cccc1Cl)c1nnc2ccccn12 6754797 JHVDUHOOXLQRBU-ZDUSSCGKSA-N 378.860 3.746 0 40 GHAB O=C(NCCc1cccs1)c1ccccc1OCc1cn2ccccc2n1 9375975 MLFYCBQEYKJKTQ-UHFFFAOYSA-N 377.469 3.947 0 40 GHAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(Br)c1 4878640 OGDWBIAWMANJNV-OAHLLOKOSA-N 391.269 3.673 0 40 GHAB CCOc1ccc(OCC(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)cc1 84809311 HQHVLBVUYSNDGZ-KRWDZBQOSA-N 393.487 3.706 0 40 GHAB COc1ccccc1Oc1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1 16303773 BSKHFQKNPRCTNW-UHFFFAOYSA-N 379.416 3.659 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cccnc12)c1ccco1 7980334 WBMVDGMTJZVDIO-IBGZPJMESA-N 385.423 3.808 0 40 GHAB O=C(Cn1c(-c2ccccc2)noc1=O)Nc1ccccc1Cc1ccccc1 70017341 ZMPKXTCJNHNOMG-UHFFFAOYSA-N 385.423 3.733 0 40 GHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)N2CCC[C@H]2c2cccs2)c1 8395527 UXOSKFICSSFJPS-HNNXBMFYSA-N 399.545 3.796 0 40 GHAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1sccc1C)C(C(=O)OC)=C(C)N2 8346009 USNYWVPTJJAUDE-GFCCVEGCSA-N 391.518 3.646 0 40 GHAB O=C(CN1CCCCCC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 23259022 KXVATKXNWQJQSM-UHFFFAOYSA-N 386.517 3.929 0 40 GHAB CC(C)c1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 18223019 XZEXWPOUTNSGSL-NRFANRHFSA-N 375.472 3.756 0 40 GHAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 8713808 WWQGNMCGGCFZJR-GFCCVEGCSA-N 385.441 3.688 0 40 GHAB Cc1cc(CN2CCC(n3cncn3)CC2)cc(C)c1OCc1ccccn1 92647681 VUNLLQSPAGPTML-UHFFFAOYSA-N 377.492 3.706 0 40 GHAB C[C@H](CC(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1)C1CCCCC1 72288646 NROKOZYEOWQUSN-MRXNPFEDSA-N 376.545 3.618 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2-n2ccnc2C)cc1 22531717 DPAJSRGJSPCNLJ-HNNXBMFYSA-N 381.501 3.986 0 40 GHAB CCOc1ccc(N(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1 408627913 RKZJXZJGYIANTF-UHFFFAOYSA-N 384.295 3.814 0 40 GHAB Oc1nc(CSc2nc(-c3ccco3)n[nH]2)nc2sc3c(c12)CCCC3 408582217 MLDIGJHMHDPBRP-UHFFFAOYSA-N 385.474 3.946 0 40 GHAB Cc1cccc(NC(=O)c2nc(-c3ccnn3C3CCCC3)n3ccncc23)n1 306141656 WDCDZEJTOADVED-UHFFFAOYSA-N 387.447 3.664 0 40 GHAB O[C@@H](Cc1ccc(C(F)(F)F)cc1)CN1CC[C@@H](n2ncc3ccccc32)C1 510407830 ULUWBEDNHULEFD-MOPGFXCFSA-N 389.421 3.906 0 40 GHAB Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(C)cc2)cc1 32640769 CGWXHLXILQKEOV-MOPGFXCFSA-N 386.542 3.578 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2c3c(nc4ccc(C)cc24)CCCC3)CC1 32906347 RAICFJPIQDKQLX-UHFFFAOYSA-N 395.503 3.773 0 40 GHAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(Br)cc1 32118838 LJQYRPBZJYTYLN-UHFFFAOYSA-N 393.350 3.878 0 40 GHAB Cc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c1 33611731 KVNCBYMIWTZOIU-UNOMPAQXSA-N 392.480 3.616 0 40 GHAB CCN(C(=O)CSc1nnc(-c2ccccc2)n1CCOC)C1=CCCC1 32724088 HJXFSJNPLOMMCQ-UHFFFAOYSA-N 386.521 3.600 0 40 GHAB O=C(CCc1ccccc1F)NC[C@@H](c1ccccc1Cl)N1CCOCC1 32374887 JEQKWMYEEFHZLI-FQEVSTJZSA-N 390.886 3.601 0 40 GHAB COc1cc2cc3c(N)c(C(=O)N4CCC(C)CC4)sc3nc2cc1OC 35314042 MESBSJYSNBYJLX-UHFFFAOYSA-N 385.489 3.921 0 40 GHAB CCCC(=O)N1CCC(Cc2ccc(-c3ccncc3)cc2)(C(=O)NCC)CC1 72345153 RJRRDWWSDMHJAA-UHFFFAOYSA-N 393.531 3.836 0 40 GHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)Cc2c(C)noc2C)cs1 46407222 OYLVKPSCZJIUEL-UHFFFAOYSA-N 396.516 3.744 0 40 GHAB COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1OC 223462761 NNSYSLOWRRLVEE-JXAWBTAJSA-N 392.411 3.706 0 40 GHAB Cc1ccccc1N(CCCC(=O)N1CCCc2ccccc21)S(C)(=O)=O 222558397 YOHFMWQSJNPDEG-UHFFFAOYSA-N 386.517 3.521 0 40 GHAB COc1ccc([C@@H](NC(=O)Nc2csc(-c3ccccn3)n2)C2CC2)cn1 529050409 JKQHCMOJZWRVRS-KRWDZBQOSA-N 381.461 3.882 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1 223871302 RLZUCFQPWXFFSW-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccccc3)ccc21 225723152 XTYUNLNGNKEUJJ-CYBMUJFWSA-N 376.503 3.513 0 40 GHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCC1=CCCCC1 224117530 NYLHZZWNZFDBBL-UHFFFAOYSA-N 384.501 3.745 0 40 GHAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCCC3)nc(NC(=S)NC(C)(C)C)n2)C1 225894082 HHFQCGJZLCZBAY-GASCZTMLSA-N 390.601 3.644 0 40 GHAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)Nc1cccc(C(F)(F)F)c1 224142861 KYDTVDBBGPZSAV-UHFFFAOYSA-N 394.401 3.806 0 40 GHAB O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@@H]1N=Nc2ccc(Br)cc21 96343495 RNLGCJWJPBHFKV-GOEBONIOSA-N 385.221 3.536 0 40 GHAB COC(=O)C[C@@H](c1ccc(Br)s1)c1c(O)ccc2nsnc12 96231316 NIPILRFAFVTRKK-ZETCQYMHSA-N 399.291 3.916 0 40 GHAB CCCc1ncc(CN2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@H]3C2)cn1 248195403 OXYYHSFARQYGBZ-GREBRCKQSA-N 381.520 3.557 0 40 GHAB CC1CCC2(CC1)NC(=O)N(CN1CCC[C@H]1c1nc3ccccc3s1)C2=O 25747483 NZVWJNVGQNQTAT-PKAMJGAUSA-N 398.532 3.891 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2C 257292660 QMMHLVFQVUMJCG-UWJYYQICSA-N 384.549 3.993 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 96559822 DLJQBKXEGGLFMQ-UHFFFAOYSA-N 377.893 3.560 0 40 GHAB O=C(NCc1cc2n(n1)CCCO2)c1cc2cc(C(F)(F)F)ccc2s1 614968709 HHZRTFBJNLTIDQ-UHFFFAOYSA-N 381.379 3.829 0 40 GHAB OC[C@@H](c1ccc(Cl)cc1)N1CCN(c2cnc(-c3ccccc3)cn2)CC1 644118214 ZWQLFRBXRWWONB-NRFANRHFSA-N 394.906 3.653 0 40 GHAB CCNC(=O)C[C@H]1CC2(CCN(C(=O)C3CC(C)C3)CC2)c2cc(F)ccc21 585105661 ZTFUYGBQYOVVCR-JCYILVPMSA-N 386.511 3.746 0 40 GHAB O=C(c1cccc(N2C(=O)CCC2=O)c1)N1CCCCc2cc(Cl)ccc21 585114382 AVPZKIAHIYHMRK-UHFFFAOYSA-N 382.847 3.977 0 40 GHAB FC(F)(F)c1cccnc1N1CC[C@@H](Oc2ccncc2Br)C1 1776009098 VBZCFNNXZDCGJR-SNVBAGLBSA-N 388.187 3.916 0 40 GHAB O=C(CCSc1nnc(NC2CC2)s1)Nc1ccc(Br)cc1 40127706 XSZUHBSRDBZKLJ-UHFFFAOYSA-N 399.339 3.996 0 40 GHAB O=C(NCCCc1ccccc1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 90590762 SSUWBCUPZBQZEQ-AWEZNQCLSA-N 382.386 3.610 0 40 GHAB CCOC(=O)N[C@@H]([C@H]1C(=O)N(c2ccccc2)N=C1C)C(Cl)(Cl)Cl 100015413 IAOAPDJOHWRFIF-RYUDHWBXSA-N 392.670 3.510 0 40 GHAB Cc1cc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc(C)c1O 1615154902 IWOPLGNAJOJKES-UHFFFAOYSA-N 398.478 3.546 0 40 GHAB O=C(Cc1cccc2ccccc12)Nc1cccc(S(=O)(=O)N2CCCC2)c1 5636383 MQDKCTMENQYRHG-UHFFFAOYSA-N 394.496 3.806 0 40 GHAB CC(C)C(=O)N1CCC[C@@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 12119440 NMQIBNHBPVOULJ-LJQANCHMSA-N 393.535 3.891 0 40 GHAB CC1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)CC1 13013551 NUNOSOJKYNKRDI-UHFFFAOYSA-N 398.528 3.700 0 40 GHAB COc1ccc([C@H]2N=C(NC(=O)c3ccccc3)Nc3nc4ccccc4n32)cc1 14165354 NKAZTWUWMVLFCJ-FQEVSTJZSA-N 397.438 3.803 0 40 GHAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccc(C)c1 14291317 ZQDJYSWQKKAQFI-UHFFFAOYSA-N 379.445 3.731 0 40 GHAB O=C(C1CCCC1)N1C[C@@H]2CCC[C@H](C1)C2n1nc(-c2ccccc2)ccc1=O 19374068 MUOJHTVXQVYHBU-DETIRCLXSA-N 391.515 3.900 0 40 GHAB c1ccc(-c2cnc(-c3ccncc3)c(CNCCCN3CCOCC3)c2)cc1 19374002 WTQLXKKUGDEKIL-UHFFFAOYSA-N 388.515 3.623 0 40 GHAB CCCC(=O)N1CC[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC(C)C)C1 19501046 RCOOWKOGQJWKTC-DEOSSOPVSA-N 393.531 3.835 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4F)c3)n[nH]2)cc1 19659905 OEBQERVJCGXUES-UHFFFAOYSA-N 391.406 3.722 0 40 GHAB Cc1c(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2)cnn1C 19689381 JGOIWRUGZFACPZ-HXUWFJFHSA-N 376.508 3.589 0 40 GHAB Cc1nc([C@@H]2CCCCN2C(=O)CCc2ccccc2)nc2c1CCCN2C 19707087 GFJGZXGGGYBNSW-FQEVSTJZSA-N 378.520 3.854 0 40 GHAB C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)Nc3ccccc3OC)C1)C2 5441152 IYQSYEXWVOLGPO-AIESJDIKSA-N 379.460 3.541 0 40 GHAB biogenic,in-vitro C[C@H](O)c1ccc(C2(CNC(=O)COc3ccc(F)cc3)CCCC2)s1 225681244 AMZNAJDNGCIVJX-AWEZNQCLSA-N 377.481 3.948 0 40 GHAB CC(C)CCNC(=O)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584484 NZCHJCFLJLGNNP-UHFFFAOYSA-N 396.531 3.552 0 40 GHAB Cc1cc(C(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)on1 19120036 MUBNQYZBADUAFT-UHFFFAOYSA-N 387.911 3.953 0 40 GHAB Fc1ccc(CN2CCC[C@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)cc1 19333983 YYRDXUOJLKUSOH-ZDUSSCGKSA-N 379.361 3.662 0 40 GHAB CCOC(=O)c1oc2ccccc2c1CSc1nnnn1-c1ccccc1 3300529 CPGOGRMFZZCVMU-UHFFFAOYSA-N 380.429 3.878 0 40 GHAB COc1ccc2c(CC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)coc2c1 11002408 KXAFHUDQXMEDOC-INIZCTEOSA-N 392.455 3.861 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)NC2CCCCCC2)CC1 1888879617 KEQRIYDANDIMMV-UHFFFAOYSA-N 396.535 3.849 0 40 GHAB COc1ccccc1S(=O)(=O)N1CC(n2c(C(C)(C)C)nc3ccccc32)C1 1889286978 WCRCHSDBNRQBNM-UHFFFAOYSA-N 399.516 3.588 0 40 GHAB Cc1nc(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cs1 21004195 LWCGFURGPRIAHU-UHFFFAOYSA-N 391.540 3.928 0 40 GHAB COc1ccc(F)cc1CN1CCC[C@@]2(CC1)CC(=O)NCc1ccccc1N2 2037988805 JHPXONODBWLEDZ-HSZRJFAPSA-N 397.494 3.691 0 40 GHAB COC[C@@H]1CC2(CCN(C(=O)[C@]3(C)CC=CCC3)CC2)CN1Cc1cccnc1 1565542458 BPSKZDPQDSZLJS-JTHBVZDNSA-N 397.563 3.658 0 40 GHAB CCCCc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)OC)CC2=O)cc1 2190552 HAGCQLDYPPSAPG-QGZVFWFLSA-N 394.471 3.807 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)C[S@](=O)C3)cc1 4224949 NAQINAMZSUMLMG-NDEPHWFRSA-N 395.484 3.674 0 40 GHAB CCOC(CNC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C)OCC 4930891 JOWUACKJPWTURJ-UHFFFAOYSA-N 391.468 3.639 0 40 GHAB Cn1cccc1[C@@H](CNC(=O)COc1ccc(Cl)cc1Cl)N1CCCC1 11845702 BKCCCWMADVRJAL-QGZVFWFLSA-N 396.318 3.664 0 40 GHAB Cc1nc2ccccc2n1C1CN(C(=O)c2cc(Br)cs2)C1 1775974780 PRAHSJOJVCMTLX-UHFFFAOYSA-N 376.279 3.866 0 40 GHAB O=C(NC[C@H]1CCCO1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1890391549 YXKLAINUCJHKHR-LJQANCHMSA-N 380.492 3.575 0 40 GHAB O=C(NC[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1 103248638 OLXORYGPSOHOPZ-IBGZPJMESA-N 390.487 3.913 0 40 GHAB CCOc1ccccc1OCCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10445594 OYDHESKDAROVJO-UHFFFAOYSA-N 396.487 3.732 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 30366859 AKNYHOCZYNIDPS-KRWDZBQOSA-N 378.881 3.689 0 40 GHAB C[C@H](NC(=O)NCc1cccnc1OC1CCCC1)c1ccc2c(c1)OCCO2 31127671 RGHSQKNIWOUBMN-HNNXBMFYSA-N 397.475 3.735 0 40 GHAB CSCC[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 50577171 SJBSLUIBGQLNSW-MRXNPFEDSA-N 398.488 3.585 0 40 GHAB Cc1nc(-c2ccc(CCNC(=O)c3cc4ccccc4c(=O)[nH]3)s2)cs1 31971101 ABABCLLFHKCCEW-UHFFFAOYSA-N 395.509 3.994 0 40 GHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCCC2)C12CCCC2 32103989 AFLVIHDXCHPGRV-HXUWFJFHSA-N 384.520 3.634 0 40 GHAB COc1cc(OC)c(N2C[C@@H](C(=O)OC3CCCCC3)CC2=O)cc1Cl 21356467 MYJFXAUVBOEPTG-LBPRGKRZSA-N 381.856 3.586 0 40 GHAB COc1ccc([C@H](NC(=O)c2ccc(NC(N)=O)cc2)c2ccccc2)cc1 32721444 LJKPGZVPZBJKSY-HXUWFJFHSA-N 375.428 3.705 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)N(C)CCOc1ccccc1Cl 21710610 VXOSMXKKYLECBH-UHFFFAOYSA-N 385.851 3.685 0 40 GHAB O=C(CCCc1nnc(-c2ccccc2)o1)NCCOc1ccc(Cl)cc1 32924197 NWRATMCSRHNAFH-UHFFFAOYSA-N 385.851 3.908 0 40 GHAB Cc1cccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccccc2)c1 656133 OCCGLEFYOVXSLW-UHFFFAOYSA-N 386.517 3.593 0 40 GHAB Cc1ccc(OCc2nnc(S[C@H](C)C(=O)O)n2CCc2ccccc2)cc1 875797 TWCNVRSZPVYSLC-MRXNPFEDSA-N 397.500 3.973 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC(NC(=O)OC(C)(C)C)CC1 47539714 YFSMSYYEKRHFGL-ZDUSSCGKSA-N 381.904 3.656 0 40 GHAB CCc1ccc(NC(=O)[C@H]2CC(=O)C[C@@H]2C(=O)Nc2ccc(CC)cc2)cc1 79067334 FVVMECMXLKQUEK-SFTDATJTSA-N 378.472 3.984 0 40 GHAB CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc(OC)c2)cc1 862548 MARWSVHYGQPQED-LJQANCHMSA-N 397.500 3.525 0 40 GHAB Cc1c(C(=O)NC[C@H](c2ccco2)N2CCCC2)[nH]c2c1C(=O)CC(C)(C)C2 23043429 BQQWXCCHFYTYOV-MRXNPFEDSA-N 383.492 3.638 0 40 GHAB C[C@@H](NC(=O)CCc1nc(-c2ccncc2)no1)c1ccc(C(F)(F)F)cc1 23150254 OYKFHJVRLVJAOC-GFCCVEGCSA-N 390.365 3.960 0 40 GHAB C[C@@H](OC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@H](C)c1ccccc1 23328854 JLQZHUOWGLFTRU-ZWKOTPCHSA-N 376.456 3.943 0 40 GHAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H](C)c1ccccc1 3018418 MHXHQIGCWWTWEK-KKSFZXQISA-N 378.472 3.952 0 40 GHAB COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCC(C)CC2)cc1 4847677 HQGCKVIZPKEWPH-NRFANRHFSA-N 395.482 3.690 0 40 GHAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccc(Br)cc3)C2)n1 4968009 ZUGCACBUCCIQRZ-AWEZNQCLSA-N 389.297 3.711 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3oc4ccccc4c3C)CC2)cc1F 24601822 APETXSONEKCBBV-UHFFFAOYSA-N 382.435 3.847 0 40 GHAB COc1cc(NC(=O)c2ccccc2F)ccc1N1C(=O)c2ccccc2C1=O 8111618 ASRSFWVQWGNAJY-UHFFFAOYSA-N 390.370 3.887 0 40 GHAB Cc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)cc1Cl 8215705 GJBLOHPHZRKQIT-LJQANCHMSA-N 381.863 3.594 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H](Cc3ncc[nH]3)c3ccccc3)cc2)n1 12507523 MFPXETKDFJJWEU-OAQYLSRUSA-N 385.471 3.926 0 40 GHAB O=C(Nc1ccccc1N1CCCC1=O)c1cc(Cl)c2c(c1)OCCCO2 12598938 ZFRAEEFPRAXXNX-UHFFFAOYSA-N 386.835 3.880 0 40 GHAB O=c1/c(=C/c2c(F)cccc2Cl)sc2nnc(-c3cccc(Cl)c3)n12 9187923 KWTQCDSPVCGJIC-ZSOIEALJSA-N 392.242 3.812 0 40 GHAB CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 10241595 OOJIXCCAMHCXIG-GFCCVEGCSA-N 394.876 3.734 0 40 GHAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)C1 58248690 NTDVKKPDGYHECC-KRWDZBQOSA-N 397.906 3.778 0 40 GHAB COc1cc(/C=C/C(=O)Nc2nc3c(s2)CCCCC3)cc2c1OCCO2 21902225 PPDLZHBZHLSORK-BQYQJAHWSA-N 386.473 3.844 0 40 GHAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OCC(C)C)cc1 2153963 CQFGQETYKTYKND-OAQYLSRUSA-N 394.471 3.717 0 40 GHAB biogenic CCOc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1 2179505 NRUUZMQIAMVJLC-UHFFFAOYSA-N 385.938 3.950 0 40 GHAB O=C(NCc1nnc2c3ccccc3c(-c3ccccc3)nn12)c1ccccc1 2224868 YGAVIQDGSMSARB-UHFFFAOYSA-N 379.423 3.875 0 40 GHAB COc1ccc2[nH]cc(C3=CCN(C(=O)NCc4nc(C)cs4)CC3)c2c1 45357517 MDZKSXPIXCNJNK-UHFFFAOYSA-N 382.489 3.940 0 40 GHAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1c(-c3ccccc3O)nnc21 2407802 HGUHSCCAAIGEBY-UHFFFAOYSA-N 376.807 3.798 0 40 GHAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(N(C)C)cc1 2447793 YKWVPJAOMGXJIM-FNZWTVRRSA-N 376.437 3.840 0 40 GHAB CC(C)c1nc([C@H]2NC(=O)CN2Cc2ccc(Br)cc2)cs1 48364056 WGPOOSSTGZRAGF-HNNXBMFYSA-N 380.311 3.660 0 40 GHAB O=C(c1cnc2sccn2c1=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 29839739 WODNKIGZJIDLHU-LJQANCHMSA-N 387.464 3.544 0 40 GHAB Cc1ccccc1CNC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O 12819921 XPAZESIXWSBMFT-UHFFFAOYSA-N 389.480 3.750 0 40 GHAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(F)(F)F 3436873 KAJZGMBJJSLWSM-SOFGYWHQSA-N 393.317 3.629 0 40 GHAB COc1ccc([C@@H](NC(=O)CNC(=O)Nc2ccccc2)c2ccccc2)cc1 12906794 RUUUEAVETOXBCP-QFIPXVFZSA-N 389.455 3.723 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1 12994322 UJCVBSBDYGCKJG-UHFFFAOYSA-N 383.517 3.644 0 40 GHAB C[C@@H](CN1CCN(C[C@@H](C)C(=O)c2ccccc2)CC1)C(=O)c1ccccc1 23479069 GIGZBFNCAMWHDI-BGYRXZFFSA-N 378.516 3.642 0 40 GHAB COc1ccc(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)cc1Cl 71284837 NJUGOMWVXVYVQV-UHFFFAOYSA-N 381.263 3.647 0 40 GHAB Cc1c(CC(=O)NC[C@@H]2CCCO2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 4089804 PLSKXRCGVXABJX-AWEZNQCLSA-N 395.455 3.564 0 40 GHAB biogenic Cc1ccccc1[C@@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(=O)C(C)C 4036035 HXWJMXJZXCLTPE-FQEVSTJZSA-N 399.516 3.700 0 40 GHAB Cc1ccnc(NC(=O)c2nc(-c3ccnn3C3CCCC3)n3ccncc23)c1 306124497 BROOCQRSOLBULB-UHFFFAOYSA-N 387.447 3.664 0 40 GHAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(C)Cc1ccc2ccccc2c1 26857190 XZIGYOCRYNLWCS-MRXNPFEDSA-N 376.456 3.705 0 40 GHAB O=c1[nH]c2ccccc2nc1-c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 96012481 UZYQSANXNQODNC-UHFFFAOYSA-N 395.415 3.530 0 40 GHAB Cc1cc(C)c(NC(=O)[C@@H](C)n2nnc3sc4c(c3c2=O)CCCC4)c(C)c1 5183366 PWYOEYNIOIHSCF-CQSZACIVSA-N 396.516 3.857 0 40 GHAB O=C(/C=C/c1c(Cl)cccc1Cl)N[C@@H]1CCN(Cc2ccccc2)C1=O 65475536 OCICPQMTAAAFQJ-QZEKMECESA-N 389.282 3.924 0 40 GHAB COc1ccc(C(C)=O)c(OS(=O)(=O)c2ccc(C)cc2Br)c1 40061625 DLSUMTMOWCJSNQ-UHFFFAOYSA-N 399.262 3.736 0 40 GHAB C[C@H]1C[C@@H]1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 14167569 IVWSGYBULNLIST-GXDNMECZSA-N 399.299 3.802 0 40 GHAB COc1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 113955835 VATBSNUYXGJORH-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB COc1cccc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c1OC 4519924 QRRZDJIZSWAQDV-HNNXBMFYSA-N 399.830 3.689 0 40 GHAB COc1c(Cl)cc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)cc1Cl 4675077 XEWSBHZJXJWSDX-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1ccccc1C 4690637 ZAGRDXQJPZFPBD-UHFFFAOYSA-N 396.472 3.702 0 40 GHAB Cc1cccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3nnnc23)c1 4885639 HOHGCNJTJPQHOZ-UHFFFAOYSA-N 380.411 3.956 0 40 GHAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1cc(F)ccc1F 6886673 SPZOTBCYOWOAHF-UHFFFAOYSA-N 376.384 3.689 0 40 GHAB COc1cccc(-n2cnnc2S[C@@H](C)C(=O)c2ccc(F)c(F)c2)c1 5895595 DGLQIVBXZIRQHW-NSHDSACASA-N 375.400 3.918 0 40 GHAB CCc1nc(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)nn1-c1ccccc1Cl 95449019 MUTPXOPMMYCQTL-CZUORRHYSA-N 390.915 3.807 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c(Br)c1 7057164 JATSSBNEGZXMPB-UHFFFAOYSA-N 398.278 3.720 0 40 GHAB CC(C)n1ccc2c(NC(=O)Cn3nc(-c4ccco4)ccc3=O)cccc21 95472270 NCYPDVFGKXMELS-UHFFFAOYSA-N 376.416 3.678 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)NCC3CCCCC3)o2)cc1OC 7698897 ZBOVNRLPBDUCPH-UHFFFAOYSA-N 391.493 3.542 0 40 GHAB COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2c(C)nn(C)c2C)cc1 7813461 SWXJOQRRLNJWRN-JOCHJYFZSA-N 390.487 3.855 0 40 GHAB COc1c(Cl)cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1Cl 8017328 ZOQAQDVHDOTGPC-MRVPVSSYSA-N 381.215 3.974 0 40 GHAB O=C(Cn1nnc(-c2ccsc2)n1)N[C@H](c1ccc(F)cc1)c1cccs1 8000588 HIVHLAVYPLJYKI-QGZVFWFLSA-N 399.476 3.508 0 40 GHAB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C)c3cccnc3)cc2)cc1 16732880 QQDJZOYWTMYGKQ-HNNXBMFYSA-N 395.484 3.747 0 40 GHAB CC(C)c1ccc(CN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C2CC2)cc1 8357437 SJJPMCYZUJZWOT-SFTDATJTSA-N 396.531 3.866 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc4ccccc4n3)sc2c1 8427739 QHTVCCUKOOMLSA-UHFFFAOYSA-N 383.454 3.500 0 40 GHAB CC(C)[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)OC(C)(C)C 95418728 XKZAWVGMMIJLNU-QGZVFWFLSA-N 397.899 3.526 0 40 GHAB Cc1cccc(-c2[nH]ncc2CNc2cccc(N3CCC(C(N)=O)CC3)c2)c1 95971962 OLLCIAJQFPHVTM-UHFFFAOYSA-N 389.503 3.699 0 40 GHAB Cc1cc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c2cccc(C)c2n1 95992748 JHPASYBAXLNPMF-UHFFFAOYSA-N 389.455 3.761 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3cc(C)cc(CN(C)C)c3)n2)cc1 89585367 VBHLQNJSXLPFCV-UHFFFAOYSA-N 394.475 3.687 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)cc1 409108016 UKCIUXAXIRFZJU-UHFFFAOYSA-N 397.504 3.736 0 40 GHAB CCOC(=O)c1c(NC(=O)C(C)C)sc2c1C[C@H](P)S[C@H]2P 26805977 CMKKEARQDULPNP-XLKFXECMSA-N 377.408 3.884 0 40 GHAB COc1ccc([C@@H]2CC(=O)N(c3cccc(OC)c3)c3c2sc(=O)n3C)cc1 66089812 YWSYBQWWPJJYJU-KRWDZBQOSA-N 396.468 3.664 0 40 GHAB Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1F)Cc1ccccc1F 25351872 BAWJGEBIPRUCCH-UHFFFAOYSA-N 392.427 3.961 0 40 GHAB O=C(Cc1cccc(F)c1)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 72334956 IPRFCQGGIQLLNB-KRWDZBQOSA-N 397.475 3.517 0 40 GHAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1ccnn1C 72370606 AIZIPCDVZDQUTG-OAHLLOKOSA-N 382.533 3.592 0 40 GHAB CCn1cc(Br)c(C(=O)NCc2ccccc2C(F)(F)F)n1 32610860 CLKLNEHMHPXHKC-UHFFFAOYSA-N 376.176 3.614 0 40 GHAB Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1F 47323148 CZXCKDFQNVLFTH-UHFFFAOYSA-N 375.831 3.777 0 40 GHAB Cc1cc2c(cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1)oc(=O)n2C 223335584 NYHSQYKBQRUSCY-UHFFFAOYSA-N 387.244 3.548 0 40 GHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)N2CCC(C)CC2)c1 224116085 QBLIVSSELAZTBA-UHFFFAOYSA-N 386.517 3.692 0 40 GHAB CCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCC[C@@H](C)C2)n1 225885600 CPISVAFSKOVJBK-MRXNPFEDSA-N 390.601 3.646 0 40 GHAB O=C(CCNC(=O)c1ccc2nc(Cl)sc2c1)Nc1ccccc1F 225979687 VUXXQWWBZKDJQP-UHFFFAOYSA-N 377.828 3.847 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc(CN2CCCC2)cc1 44872262 CMNSTJNZUBHNQH-UHFFFAOYSA-N 378.925 3.555 0 40 GHAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 62580921 VGCRRFXNGABRNY-UHFFFAOYSA-N 394.353 3.522 0 40 GHAB CCCCc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1 223348294 CVJPKFQBMPKNQS-UHFFFAOYSA-N 394.880 3.928 0 40 GHAB CCc1ccc(N([C@H](C)C(=O)Nc2c(C)cccc2CC)S(C)(=O)=O)cc1 220275555 KDVYCUZINHAMAW-MRXNPFEDSA-N 388.533 3.913 0 40 GHAB C[C@@](O)(CNS(=O)(=O)Cc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 77184254 OBCCAUHKAMLLBO-JOCHJYFZSA-N 399.487 3.820 0 40 GHAB O=C(NCCc1cccs1)c1nnn(-c2ccccc2F)c1-c1cccnc1 49003745 GEMOKAGZSSJOCI-UHFFFAOYSA-N 393.447 3.502 0 40 GHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1F 223371978 WEVWVJORIXMVQT-UHFFFAOYSA-N 397.733 3.997 0 40 GHAB COc1cccc(NC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 225762256 YUGNCWKARBZEHO-UHFFFAOYSA-N 376.416 3.664 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1C 225457178 FCWJHAIWQBNKHX-WOJBJXKFSA-N 380.532 3.912 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 222473788 BWEHVQQZVZGSJH-LJQANCHMSA-N 382.504 3.626 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)N1c2ccc(Br)cc2C[C@@H]1C 222981201 JTQHJBOEGNDDCV-LBPRGKRZSA-N 396.306 3.906 0 40 GHAB CC(=O)N[C@@H]1C[C@H](c2c(Cl)cccc2Cl)OC2(CCN(C(C)=O)CC2)C1 257247938 JBFPZTKJAIVBMC-RHSMWYFYSA-N 399.318 3.731 0 40 GHAB C[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)c2cccnc2)C1 257239165 HOEPDZCPCIKNHW-QFIPXVFZSA-N 379.435 3.993 0 40 GHAB Cc1nccc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)n1 257264122 LTAPHBLKWFKLPK-INIZCTEOSA-N 380.423 3.523 0 40 GHAB CCOC(=O)c1cc(NC(=S)NCCCN2CCC[C@H](C)C2)ccc1Cl 260732713 AIJYBWDNKYWYPI-AWEZNQCLSA-N 397.972 3.925 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CC(CC3CC3)C2)ccc1Cl 621390723 JCBUACJIPUVOMS-UHFFFAOYSA-N 399.944 3.634 0 40 GHAB O=C(Nc1ccc(Cl)c2ncccc12)N[C@@H]1CCN(c2ccccc2)C1=O 598153216 ZXBWGQIKAUJXDU-QGZVFWFLSA-N 380.835 3.815 0 40 GHAB CC(C)N(C(=O)c1ccc2nnc(C(F)F)n2c1)[C@@H]1CCCc2cccnc21 606442857 DKOYKENXITYPMA-OAHLLOKOSA-N 385.418 3.990 0 40 GHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 96366742 MALABKQYMSNOAU-INIZCTEOSA-N 397.418 3.784 0 40 GHAB Cc1cccc(-c2ccc(-c3nc([C@H]4CC(=O)N(CC5CC5)C4)no3)n2C)c1 650221913 XUONXBZZOAPFGJ-KRWDZBQOSA-N 376.460 3.776 0 40 GHAB O=C(c1ccc(F)cc1)N1CCc2[nH]nc(-c3ccc4c(c3)CCCO4)c2CC1 585110293 ABHKPRAWKWFCAN-UHFFFAOYSA-N 391.446 3.782 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 14492841 SJDYXHGIBPLBPW-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCc4ccccc43)c2)c1 15563624 WWWUXBPXVBARDS-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB CC(=O)N1CCc2nc([C@@H]3CCCCN3Cc3ccc(C)c(C)c3)ncc2C1 19213990 CYNBMLAWYFCXJO-QFIPXVFZSA-N 378.520 3.725 0 40 GHAB COCCC(=O)N1CCC[C@H](c2cc(Oc3ccc(N(C)C)cc3)cc(C)n2)C1 19570131 TWVZLRMKMYATEV-SFHVURJKSA-N 397.519 3.991 0 40 GHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2nnc(-c3ccccc3F)s2)CC1=O 19661629 BDNXRARHVPOIPM-ZDUSSCGKSA-N 396.447 3.644 0 40 GHAB COc1ccc(S(=O)(=O)N(C)CCCn2nc(C)cc2C)cc1C(C)(C)C 19719907 QMNXXTAZEMVPJH-UHFFFAOYSA-N 393.553 3.517 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 8477888 RUVRLAPQNSBVOT-ZRFOIIEFSA-N 394.515 3.710 0 40 GHAB COc1cccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 19566155 DBKTUTWVWKHCKN-HJOGWXRNSA-N 390.527 3.922 0 40 GHAB CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(Cc2ccccc2F)C1 19573309 FPENJNRGQDHICX-CQSZACIVSA-N 382.888 3.657 0 40 GHAB O=C(NC[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)CO1)OC1CCCC1 2056225138 DZTZKKUWKOSTLG-FQEVSTJZSA-N 387.524 3.512 0 40 GHAB C=CC(=O)Nc1ccc(C(=O)N[C@H](c2ccccc2)C2(CO)CCCC2)cc1 1557224428 YBHWCPCIDSUIFG-OAQYLSRUSA-N 378.472 3.835 0 40 GHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1nnc(SCC)s1 11694369 GCHSODUZMCDVEW-UHFFFAOYSA-N 393.469 3.626 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)cc1 13716529 DNCCGIVWXBLQBD-UHFFFAOYSA-N 394.496 3.797 0 40 GHAB COc1ccc(CN(C)C)cc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 40086958 SVIOVGMNSAXDKV-NRFANRHFSA-N 393.487 3.660 0 40 GHAB CC(C)c1cc(C(=O)N2CCC(c3nnc4ccccn34)CC2)nn1C(C)(C)C 40145107 FSHFTOBXESJBEX-UHFFFAOYSA-N 394.523 3.824 0 40 GHAB COc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)c(OC)c1 32072663 IULATXLLJCKCKY-CYBMUJFWSA-N 399.838 3.765 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3C[C@@H]4[C@@H](C3)C4(C)C)CCCC2)c1 101274915 LIPVJKZREWQCCG-IAGOWNOFSA-N 375.534 3.504 0 40 GHAB Cc1cccc([C@H](CC(=O)NCCSc2ccc(C)c(C)c2)NC(N)=O)c1 32795829 JCCQLTXQJQTLNZ-IBGZPJMESA-N 385.533 3.620 0 40 GHAB O=C(C[S@@](=O)CCCc1ccccc1)Nc1ccccc1Br 32801022 YSKGOMCLEQSVCI-JOCHJYFZSA-N 380.307 3.769 0 40 GHAB Cc1nc(NC2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCC3 32891532 OLDIHUUFEATCIA-UHFFFAOYSA-N 382.489 3.798 0 40 GHAB COc1ccc2c(c1)CCCN2C(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C 21975700 PAMSVPAFOAPOSZ-NRFANRHFSA-N 380.488 3.737 0 40 GHAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cccc(Br)c1)CC3 33631217 IKVVUSDKFUVXOI-WQLSENKSSA-N 397.228 3.802 0 40 GHAB CCOC(=O)C1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CC1 12322568 CEIAWYLPZDOMHY-UHFFFAOYSA-N 392.908 3.808 0 40 GHAB CNC(=S)N(Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 875373 KEVGYMYRGHZBNX-UHFFFAOYSA-N 383.492 3.791 0 40 GHAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)NC(C)(C)C 902846 IUVZYHLTIRBERO-UHFFFAOYSA-N 376.526 3.501 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Oc4cc(C)[nH]n4)cc3)cn2)n1 79103303 CGMJCCUEPNLDGA-UHFFFAOYSA-N 388.431 3.960 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 1747363 PUKIGCHCNIOKOQ-NHYWBVRUSA-N 382.243 3.573 0 40 GHAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 4944444 DCKINEDVWJNDLM-SNVBAGLBSA-N 383.395 3.765 0 40 GHAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCCC(=O)NC1CCCCC1 7939880 DGIIGESHZBLLJL-UHFFFAOYSA-N 394.899 3.749 0 40 GHAB Cc1ccccc1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 8041324 FSSBIHWYTZUPOD-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc1 8413477 OGWWSNNVXSOZAJ-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)N2C2CC2)cc1 1443505 JVAOWUFOCNLBKT-LJQANCHMSA-N 395.434 3.717 0 40 GHAB Cc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)Nc1cccc(F)c1C 1425382 MROCGCHSAQNTLC-UHFFFAOYSA-N 376.453 3.679 0 40 GHAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2nccs2)CC1 57463458 VWZHPIBGTOKVJA-NSHDSACASA-N 385.320 3.599 0 40 GHAB COc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ccc1OC(C)C 9709638 CAPFSKOPFGLJQH-UHFFFAOYSA-N 393.447 3.723 0 40 GHAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12 9836871 GTZLPAJHYZGZRS-GFCCVEGCSA-N 398.463 3.762 0 40 GHAB CCC[C@H](C)NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12610058 PFXYIYCQDSXHHF-LBPRGKRZSA-N 397.928 3.740 0 40 GHAB COc1cc(C(=O)N2CCC(c3nnc4ccccn34)CC2)ccc1OC(C)C 48278071 KRGXGVQQVCAADQ-UHFFFAOYSA-N 394.475 3.545 0 40 GHAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1cc(Cl)c2c(c1)OCCCO2 58424447 XUFLGGHRZGAJAD-BBRMVZONSA-N 386.879 3.869 0 40 GHAB CCOC(=O)c1c(C(=O)OCC)c(C)n(Cc2cc(OC)cc(OC)c2)c1C 2275479 NDXVOCFWURRNLT-UHFFFAOYSA-N 389.448 3.524 0 40 GHAB COc1ccc2cc(C(=O)N3CCN(c4ccccc4F)CC3)c(C)nc2c1 10742046 YKJLDSJYMIQDIJ-UHFFFAOYSA-N 379.435 3.653 0 40 GHAB COc1ccc(OCCN(C)C(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 22691716 LXJLZBQXWGMFIN-UHFFFAOYSA-N 398.434 3.959 0 40 GHAB CN(C)[C@@H](CNC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1cccs1 36685107 SHWZOMLKCOIZLJ-AWEZNQCLSA-N 396.438 3.536 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)N2C(=O)[C@@H](C)SC2=N1 2487100 LQHPFIIMFCVVHH-IAQYHMDHSA-N 378.881 3.940 0 40 GHAB C[C@H](Oc1ccccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)c1ccccc1 102593365 TYNFUDZNYJDQKE-RYQLBKOJSA-N 375.424 3.792 0 40 GHAB O=C(Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1)N[C@@H]1CCS(=O)(=O)C1 84562630 ONRRJFZIKUWJNX-CQSZACIVSA-N 398.406 3.681 0 40 GHAB CC[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(C)cc1 10326414 WRXDAGPLLIHEGH-HOTGVXAUSA-N 386.517 3.663 0 40 GHAB O=C(CNc1cccc(Cl)c1Cl)Nc1cccc(C(=O)NC2CC2)c1 11622747 VJLHDQZPFUNWTH-UHFFFAOYSA-N 378.259 3.936 0 40 GHAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(OC)c(OC)c1 20029958 UWPBOEISXRTFNX-GFCCVEGCSA-N 399.896 3.795 0 40 GHAB CCOC(=O)c1c(NC(=O)C(C)C)sc2c1C[C@@H](P)S[C@@H]2P 26805982 CMKKEARQDULPNP-RTHLEPHNSA-N 377.408 3.884 0 40 GHAB Cc1ccc(NC(=O)c2nc(-c3ccnn3-c3ccccc3)n3ccncc23)nc1 306136537 PWDWUVSUHCTGNK-UHFFFAOYSA-N 395.426 3.538 0 40 GHAB O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(Cl)cc1F 12979001 SNDPSRQNXXBGFW-CQSZACIVSA-N 389.858 3.768 0 40 GHAB O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 12994563 IOVWQOVZIWXESE-LJQANCHMSA-N 396.830 3.805 0 40 GHAB COc1ccc(CN(C)C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1F 12993133 FCAMDGJLSSHCAR-UHFFFAOYSA-N 390.842 3.887 0 40 GHAB CC(=O)NCc1ccc(C(=O)[C@@H](C)Sc2ncnc3sccc23)s1 9113485 DVJXUGAXWFQKRM-SECBINFHSA-N 377.516 3.752 0 40 GHAB COc1ccc(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 5120590 SDICPUSGLVWOAR-UHFFFAOYSA-N 393.814 3.888 0 40 GHAB COCc1c(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)oc2ccccc12 5199142 VAOIMUZBBWGLFL-IBGZPJMESA-N 393.439 3.930 0 40 GHAB COCc1ccc(C(=O)OCC(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 5262555 WWZQQDUHNJFJOF-UHFFFAOYSA-N 380.400 3.592 0 40 GHAB C[C@H]1CCN(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c2ccccc2S1 5253488 FDDCHFKNGJCSFG-ZDUSSCGKSA-N 399.903 3.967 0 40 GHAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cncc(Br)c1 14182061 YHDZHOAMJGRWTR-UHFFFAOYSA-N 383.629 3.911 0 40 GHAB O=C([C@H]1CCCN(c2cnccn2)C1)N(Cc1c(F)cccc1Cl)C1CC1 29782068 RAUSHCFOQSRDEI-AWEZNQCLSA-N 388.874 3.677 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(OC)c1 14596449 MRJASOCERLPBJO-UHFFFAOYSA-N 383.366 3.920 0 40 GHAB COc1cc(C)c(CSCc2cc(=O)n3c(C)csc3n2)cc1OC 6651934 BDLYFCSMSMXFPW-UHFFFAOYSA-N 376.503 3.823 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)ccc12 14849471 MQTZLQQPICCHBX-HNNXBMFYSA-N 376.412 3.631 0 40 GHAB CCn1cc(S(=O)(=O)c2cc(C)cc(C)c2)c(=O)c2cc(F)c(F)cc21 67340589 XWTSGAVSGDSGNP-UHFFFAOYSA-N 377.412 3.749 0 40 GHAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1 16097184 FJCXPROIAMBWHX-UHFFFAOYSA-N 391.210 3.630 0 40 GHAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(C2SCCCS2)cc1 7813315 VRFULQVHZYCHIV-UHFFFAOYSA-N 399.493 3.966 0 40 GHAB COC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1Cc2ccc(Cl)cc2C(=O)O1 8020742 UBQHILRTWGNBHQ-OAHLLOKOSA-N 394.210 3.500 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)NCCCOc1ccccc1F 9514025 VFKDCXFPNIKGFD-UHFFFAOYSA-N 388.439 3.598 0 40 GHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)C1CCC(C)CC1 18147687 LKXKZSGAODXNMN-UHFFFAOYSA-N 397.445 3.730 0 40 GHAB CSc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)N(C)CCN(C)C3)cc1 95992840 UMZRUZCMFQQNEI-HNNXBMFYSA-N 385.533 3.696 0 40 GHAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 21248597 FTGXYDCJQYARDF-LJQANCHMSA-N 378.516 3.985 0 40 GHAB C[C@H](Sc1nccn1-c1ccccc1)C(=O)c1ccc2c(c1)NC(=O)CO2 26128034 WZHGTAQVBRIOIG-ZDUSSCGKSA-N 379.441 3.567 0 40 GHAB C[C@H](CNC(=O)C1(NC(=O)NCc2ccccc2)CCCC1)c1ccccc1 26092221 XKWHMLUTCGCLSB-GOSISDBHSA-N 379.504 3.719 0 40 GHAB O=C(NC[C@@]1(O)CCCc2occc21)C1c2ccccc2Oc2ccccc21 1565523847 YLFIWJAHPJZNQZ-QHCPKHFHSA-N 375.424 3.858 0 40 GHAB CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1ccc(F)cc1F 33048031 DIRQOKJDTKVVDU-UHFFFAOYSA-N 391.189 3.698 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 219569707 IFPPQXOLFMWRML-QGZVFWFLSA-N 395.459 3.870 0 40 GHAB COc1ccc(SCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1OC 38772795 RPHOJGBKTGNOGB-ZDUSSCGKSA-N 391.489 3.691 0 40 GHAB COCCn1cc(CCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21 79189500 WICSSRSKKWFWKR-SIKLNZKXSA-N 397.563 3.601 0 40 GHAB biogenic CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872959 KHCRXALIWXRZMN-JOCHJYFZSA-N 382.504 3.765 0 40 GHAB CCOC(=O)[C@@H]1CC(=O)N(c2cc(-c3nc4ccccc4s3)ccc2OC)C1 45887017 PAZSUGJSNHTFCI-CQSZACIVSA-N 396.468 3.888 0 40 GHAB CCC[C@H](C)NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 225985162 SLDWSAQSHUFNGZ-KRWDZBQOSA-N 388.533 3.667 0 40 GHAB CC(C)c1ccc(C[C@H](C(=O)O)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225157600 PCQYWUISSBCOTE-GOSISDBHSA-N 395.908 3.780 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2cccc(CN3CCOCC3)c2)c1 47218723 UBEMZVHPSVKEFB-UHFFFAOYSA-N 396.531 3.646 0 40 GHAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 222917185 XFXFNSSUAJHIDW-SFHVURJKSA-N 396.531 3.569 0 40 GHAB CN1CCN(c2ccc(N)cc2NC(=O)c2cc(Cl)ccc2Cl)CC1 226259303 CYKJQGXCNVROQH-UHFFFAOYSA-N 379.291 3.580 0 40 GHAB COc1ccc(-c2noc(CNC(=O)CSCc3cccc(C)c3)n2)cc1 222746891 ZXSZZVHYGZPRLQ-UHFFFAOYSA-N 383.473 3.603 0 40 GHAB Cc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225691401 WMXRSUQBDGOFLV-FQEVSTJZSA-N 380.532 3.912 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2nccs2)c1C 222773001 VJMZOCLRIYMWPJ-IRXDYDNUSA-N 383.546 3.938 0 40 GHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21 225706841 KMWAPHSQTNLZRC-UHFFFAOYSA-N 380.535 3.813 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C 225420273 ADISXMHSPIMJEG-UXHICEINSA-N 396.531 3.748 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 225059900 CKFKTJAIISHPPY-HXUWFJFHSA-N 380.532 3.914 0 40 GHAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225718417 MLHZZIYALDPEMF-CQSZACIVSA-N 390.530 3.992 0 40 GHAB O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)[C@@H]1OCC[C@@H]1Cn1ccnc1 622058388 CEQPMYJUURXFHJ-CZUORRHYSA-N 388.880 3.704 0 40 GHAB CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H]1c1ccc(OC)c2ccccc12)n1cnnn1 604418740 VFQZORLQSGDKDK-DLVCFXQMSA-N 393.491 3.786 0 40 GHAB CN(C(=O)c1cc(Br)cc(C(=O)O)c1)C1CCC(F)(F)CC1 630296622 YNBNCLHFRJBVDL-UHFFFAOYSA-N 376.197 3.797 0 40 GHAB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4cc(C5CC5)no4)C3=O)ccc2c1 657220059 WDBXXNKSYOBCHT-JOCHJYFZSA-N 391.427 3.681 0 40 GHAB CCN1CCC(CCNC(=O)N2CC[C@H](c3cc(C)c(Cl)cc3O)C2)CC1 664222760 FTJJCNLBQGNAIH-KRWDZBQOSA-N 393.959 3.975 0 40 GHAB O=C(OCc1ccccc1)N1CCN(c2ncnc3c2oc2ccccc23)CC1 1615612529 GYVUTGFNJYBART-UHFFFAOYSA-N 388.427 3.835 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@@H](C)C2)C3)cc1F 585104556 QDFVENMSQUKVPV-YLJYHZDGSA-N 388.527 3.877 0 40 GHAB COCc1cccc(CNC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 67062689 QFQICTRQSKDGMI-IBGZPJMESA-N 392.858 3.909 0 40 GHAB Cc1ccc(-c2noc(CCC(=O)N[C@H](C#N)c3ccc(F)cc3F)n2)cc1 68416536 ZTVWQRASKBNTSI-QGZVFWFLSA-N 382.370 3.637 0 40 GHAB O[C@H](c1cccnc1)c1ccccc1N1CCN(Cc2ccc(F)cc2F)CC1 72340659 LQWQCQNHLPINTG-HSZRJFAPSA-N 395.453 3.764 0 40 GHAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)n1 44654341 SVGWLUDZFGUKKZ-CQSZACIVSA-N 386.496 3.913 0 40 GHAB C[C@@H](C(=O)N[C@H](CC(=O)O)Cc1cc(F)c(F)cc1F)c1ccccc1F 666370089 JHQDSXKTUZJGFG-PWSUYJOCSA-N 383.341 3.549 0 40 GHAB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc2c1OCO2 8084380 NVPTYLLCMOXGEA-IFRROFPPSA-N 383.282 3.797 0 40 GHAB Cc1ccc(-c2csc3ncn(CC(=O)NC4CCCC4)c(=O)c23)cc1C 5498504 QCDHLVUSEHNUNI-UHFFFAOYSA-N 381.501 3.801 0 40 GHAB Cc1ccc(CCCNC(=O)c2ccc(I)cc2)cc1 13631920 ZSROIZVGZAVVKC-UHFFFAOYSA-N 379.241 3.962 0 40 GHAB O=C(COc1ccccc1)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 19373450 CRNFKOFSBVCWMH-SFHVURJKSA-N 395.484 3.631 0 40 GHAB CCOc1ccc(CC(=O)N2CCC[C@H]2c2n[nH]cc2-c2cc(C)no2)cc1 19532879 HFWLUGUKIQQMCU-SFHVURJKSA-N 380.448 3.678 0 40 GHAB COc1cccc(CN2CCN(C(=O)c3ccc4ncccc4c3)[C@@H](C)C2)c1 19575626 YDTHVFCPKFTNLU-KRWDZBQOSA-N 375.472 3.590 0 40 GHAB CCC(=O)N1CCC(c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)CC1 19705651 JJDNJQQSSINYLK-UHFFFAOYSA-N 392.547 3.896 0 40 GHAB Cc1ccc(C)c(OCC(=O)Nc2cc(Cl)c3nc(NN)sc3c2)c1 226313159 YUGLQPLJRHPOJJ-UHFFFAOYSA-N 376.869 3.870 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(O)n2)cc1C 4317379 PVGOHVVWGHEHCZ-UHFFFAOYSA-N 380.473 3.516 0 40 GHAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)CCC3CCCCC3)cc12 6308999 MZGHEBPQHXLYDN-UHFFFAOYSA-N 386.492 3.565 0 40 GHAB Cc1cccc2sc(N(CCN3CCOCC3)C(=O)C3CCCCC3)nc12 22998205 VDVRGSRMYCEUKS-UHFFFAOYSA-N 387.549 3.850 0 40 GHAB c1cncc(-c2nc(N3CCC(c4nnc5n4CCC5)CC3)c3ccccc3n2)c1 40149297 HURUAOVISYNZQB-UHFFFAOYSA-N 397.486 3.614 0 40 GHAB O=C(Nc1ccc(Cn2ccccc2=O)cc1)c1cccc(Br)c1 40134824 OYCZODLSWHUPTH-UHFFFAOYSA-N 383.245 3.911 0 40 GHAB C[C@]1(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CC1(Cl)Cl 31960067 CXPOWOGORBNBLS-OAHLLOKOSA-N 376.305 3.925 0 40 GHAB COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1 20725882 MSDDLYXNTSUOLT-IBGZPJMESA-N 394.406 3.515 0 40 GHAB COc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 20717718 AHTYCIHSBOIWJP-FQEVSTJZSA-N 394.818 3.764 0 40 GHAB C[C@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1ccc(Cl)cn1 21957026 ROZBWJOMUCPEOV-JTQLQIEISA-N 391.859 3.789 0 40 GHAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C3(c2ccccc2)c2ccccc2)c1 102986144 QFVJDLKKABXQIM-FGZHOGPDSA-N 381.431 3.995 0 40 GHAB O=C1[C@@H]2[C@H]3C[C@@H]([C@H]4ON=C(c5ccc(Cl)cc5)[C@@H]34)[C@H]2C(=O)N1c1ccccc1 103023412 MAAYCDPIHURLKL-GGPCPXQKSA-N 392.842 3.515 0 40 GHAB C[C@H](NC(=O)[C@@H](C)N1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 37458324 JVTITTFEAPWZAA-SCTDSRPQSA-N 397.494 3.742 0 40 GHAB CCn1nc(CC(=O)Nc2ccc(Cc3ccncc3)cc2)c2ccccc2c1=O 1351522 IYPZUKVSASUHKS-UHFFFAOYSA-N 398.466 3.583 0 40 GHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(C)cc1 812094 MKILGYUZABNVCE-UHFFFAOYSA-N 380.400 3.866 0 40 GHAB COc1ccccc1N[C@@H](NC(=O)c1ccco1)C(=O)c1ccc(Cl)cc1 913235 LGWWEOGEJJGHEB-IBGZPJMESA-N 384.819 3.993 0 40 GHAB COCCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccco1 4161480 WCHKUKOKCAARCB-UHFFFAOYSA-N 386.477 3.614 0 40 GHAB Cc1c(Cl)cccc1OCC(=O)NCC1(N2CCSCC2)CCCC1 97589577 RUQNEMJXOQTYIQ-UHFFFAOYSA-N 382.957 3.505 0 40 GHAB CCCCC(=O)N(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 4881178 HYIZWWYDHIACHH-UHFFFAOYSA-N 379.482 3.774 0 40 GHAB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1 6966495 DAGWRRLENVFZIM-MOSHPQCFSA-N 391.471 3.807 0 40 GHAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccncc2)cc1 7499647 CUYOVAGXKFFDLJ-UHFFFAOYSA-N 385.423 3.509 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1C 7881433 PIZUJSUZJCXVFJ-LJQANCHMSA-N 379.456 3.699 0 40 GHAB COc1ccc(-c2noc(CSc3nnc(C4CC4)n3C3CC3)n2)cc1OC 7904179 PACLSZBYNZHNTB-UHFFFAOYSA-N 399.476 3.850 0 40 GHAB O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccccc1O 1238368 ORAFPFXVNNVFAP-YIERNNEGSA-N 380.425 3.623 0 40 GHAB CS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(C3CCCCC3)cc2)cc1 24749626 PRUBQUHFLKEIDW-UHFFFAOYSA-N 394.514 3.906 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)c1 8273526 CIYRUQGMLPYTMX-UHFFFAOYSA-N 379.460 3.897 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)cc1 8433526 PVHNQJVTKIFBJT-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB O=C(Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)c1cccs1 102592508 XOKDEVYCBJLIER-UJWMZTGESA-N 391.448 3.525 0 40 GHAB CC(C)Cc1nnc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)s1 25445504 RLRTZPBSTBNMPH-UHFFFAOYSA-N 381.885 3.733 0 40 GHAB CC(=O)c1cccc(OC[C@H](O)COc2ccc(NC(=O)c3ccco3)cc2)c1 27213488 DJIVPCVXWBQGQF-GOSISDBHSA-N 395.411 3.553 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)c(Cl)c1Cl 103248013 LPJPBIOHOLSPNJ-UHFFFAOYSA-N 389.260 3.761 0 40 GHAB CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)cc1 2191103 UTBZOKNJHSYMMK-UHFFFAOYSA-N 385.391 3.563 0 40 GHAB C[C@@H](c1ccc(F)cc1)N(C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl 12758237 LXKJLXRGLOWAKI-AWEZNQCLSA-N 391.874 3.569 0 40 GHAB Cc1cccc(Nc2nnc(SCc3ccco3)n(-n3cccc3)c2=O)c1C 28536177 ARCHCUMVYDJIFJ-UHFFFAOYSA-N 393.472 3.997 0 40 GHAB O=C(CCc1ccc(Cl)cc1)NC[C@@H](c1cccs1)N1CCOCC1 12734496 OUAFGCMQPNJRRQ-KRWDZBQOSA-N 378.925 3.524 0 40 GHAB Cc1nn(C)c2ncc(NC(=O)/C=C/c3ccccc3OC(F)(F)F)cc12 58380338 CRFNBDRVJVYVSK-BQYQJAHWSA-N 376.338 3.827 0 40 GHAB C[C@H](C(=O)NC1CCCCC1)N(C)CCOc1ccc(Br)cc1 12765790 FAUXXSKHJGLCSI-CQSZACIVSA-N 383.330 3.597 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CNc3cc(Cl)ccc3Cl)ccc21 12757735 LFQHTZYBXSLLEX-UHFFFAOYSA-N 378.259 3.953 0 40 GHAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 100750216 AKQJVCYMGPJCCQ-IEGUWTFLSA-N 383.511 3.989 0 40 GHAB C[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccc(-c2ccccc2)cc1 28036540 HOUCLZBBVFOQBV-CYBMUJFWSA-N 375.881 3.780 0 40 GHAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 58406555 VXEDIPVFSIVTQS-ZJUUUORDSA-N 385.213 3.514 0 40 GHAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccccc4O)nnc32)cc1Cl 2235177 LEFHACKGBHPGLR-UHFFFAOYSA-N 376.807 3.798 0 40 GHAB COc1ccc(C(=O)OCC(=O)c2ccccc2Br)cc1OC 3323640 CMHYYLWWDSVCSO-UHFFFAOYSA-N 379.206 3.506 0 40 GHAB Cc1cc(C)c(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)c(C)c1 22389714 RUKPRHMLWORPMI-UHFFFAOYSA-N 398.887 3.809 0 40 GHAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(OC(F)(F)F)cc1 11521204 NYYVFVVZOSUSAZ-JTQLQIEISA-N 382.367 3.747 0 40 GHAB Clc1ccc(N2CCCN(c3nccc(-n4cccn4)n3)CC2)cc1Cl 95467530 ZGXALVRWKAYGPC-UHFFFAOYSA-N 389.290 3.686 0 40 GHAB Cc1ccc2oc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)cc(=O)c2c1 12905680 BTNXVCUJZQFTHZ-MRXNPFEDSA-N 390.439 3.592 0 40 GHAB O=C(CSc1nnc(SCc2cccs2)s1)NCC(F)(F)F 12986790 ZFIFYNKSNODCIP-UHFFFAOYSA-N 385.483 3.663 0 40 GHAB O=C(CSc1ncnc2nc[nH]c12)Nc1ccc(OCc2ccccc2)cc1 13570352 UWFRNXHIYWUVHK-UHFFFAOYSA-N 391.456 3.663 0 40 GHAB CC(C)c1nn(-c2ccccc2)cc1CNCCCCN1C[C@@H](C)O[C@H](C)C1 96999655 SBTHFGATVMPKFR-WOJBJXKFSA-N 384.568 3.975 0 40 GHAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1OC(F)F 5126945 PBDIRAUBATWWCM-UHFFFAOYSA-N 379.403 3.986 0 40 GHAB COc1ccc(Cl)cc1NC(=S)N1CCN(c2ccccc2O)CC1 6398492 YKTDQDOPTQQZSZ-UHFFFAOYSA-N 377.897 3.573 0 40 GHAB Cc1ccc([C@H](CNC(=O)Cc2coc3c(C)c(C)ccc23)N2CCOCC2)o1 14241195 VSLWXBHZSVEGFS-FQEVSTJZSA-N 396.487 3.683 0 40 GHAB COc1cccc(CNC(=O)CCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 4681847 LRBPMNSVYIDUJO-QNHAZURESA-N 398.547 3.813 0 40 GHAB O=C(CN(Cc1ccccc1F)C1CC1)Nc1ccccc1N1CCCC1=O 9388876 GYMSUDZZKWLUAQ-UHFFFAOYSA-N 381.451 3.556 0 40 GHAB O=C(CC1CCCC1)NC1CCN(C(=O)c2csc(-c3ccoc3)n2)CC1 66787368 SNYWXCSSGYXQHR-UHFFFAOYSA-N 387.505 3.704 0 40 GHAB CCOc1cccc(CNCCCN2CCOCC2)c1OCc1cccs1 15356965 ZZAFUHROTNBSHC-UHFFFAOYSA-N 390.549 3.538 0 40 GHAB CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC(C)(C)CC 7000473 GBNAEIPZVCFGIS-UHFFFAOYSA-N 394.471 3.800 0 40 GHAB Cc1cccc2c(=O)[nH]c(CSc3nc(C4CC4)n(-c4ccccc4)n3)nc12 7244203 FXJWXKTUFKLFMB-UHFFFAOYSA-N 389.484 3.982 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(=O)NC(C)C 408596132 RHJVHKAIRRGSPR-UHFFFAOYSA-N 380.897 3.896 0 40 GHAB C[C@@H](NC(=O)COc1ncnc2ccc(Br)cc12)c1ccccc1 7814665 ZPYYRJUSCUHBCI-GFCCVEGCSA-N 386.249 3.649 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1nnn(-c2cc(C)ccc2Cl)c1C 8022455 MHSSWOIIOGBIPB-UHFFFAOYSA-N 384.823 3.576 0 40 GHAB O=S(=O)(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)c(Cl)c1 69090818 CTHCJJHJTLDWSJ-SFHVURJKSA-N 382.888 3.595 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)N2CCC[C@H]2[C@@H](CC)c2ccccc2)cc1 71844426 KMBPBIOUFFBYEW-VXKWHMMOSA-N 394.515 4.000 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)c1cccc(CN2CCCC2=O)c1 8266493 AAZJXVIXRORNFF-UHFFFAOYSA-N 379.485 3.691 0 40 GHAB Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1C(N)=O 71934104 RWTGGPWTUBVAOV-UHFFFAOYSA-N 379.441 3.660 0 40 GHAB O=C1C[C@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)Nc3ccc(F)cc3)cc21 8608663 FZZWQGVQDFDGCA-CQSZACIVSA-N 376.387 3.679 0 40 GHAB COc1cc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)cc(OC)c1OC 18195089 BGBZBKPXTSXYST-UHFFFAOYSA-N 399.472 3.645 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 8744437 HBBPQTHLXKRVNT-HXUWFJFHSA-N 393.443 3.523 0 40 GHAB COc1cccc(C(=O)Nc2nnc(Cc3nc4ccccc4s3)s2)c1 9879773 XRZVJLMNMBBJFJ-UHFFFAOYSA-N 382.470 4.000 0 40 GHAB CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(OC)c(OC)c2)C12CCCCC2 72306084 BCKLWVAOCHTANI-RBUKOAKNSA-N 376.497 3.631 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)N(C)C3CCCCC3)C(=O)[C@H]2C1 408675894 CENLOLOOTIPFRF-HKUYNNGSSA-N 380.488 3.937 0 40 GHAB CC(C)N1C[C@@H](C(=O)Nc2ccc(Oc3cccc4[nH]ccc34)nc2)CC1=O 72406199 MUXLFNDTYAQKPP-AWEZNQCLSA-N 378.432 3.551 0 40 GHAB O=C(COC(=O)[C@@H]1C[C@H]1c1ccco1)Nc1ncc(C(F)(F)F)cc1Cl 84432302 LNEAJZUBQARHET-NXEZZACHSA-N 388.729 3.632 0 40 GHAB Cc1nc([C@H]2CCCN(C(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)C2)n[nH]1 95966413 ASRPEZGXCBATBA-AWEZNQCLSA-N 387.532 3.774 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)[C@H]3CCCC[C@H]32)cc1 60016622 QHIHZQMSMBVNSQ-ZTCOWCNDSA-N 398.547 3.731 0 40 GHAB Cc1cc(C)c(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)c(C)c1 22400106 VXHWTPGLMYAXMB-UHFFFAOYSA-N 380.554 3.607 0 40 GHAB CC(C)c1cccc(C(=O)N2CCO[C@@]3(CCCC[C@@H]3N3CCCC3)C2)c1O 306124320 BMOWRXCBCTWGEJ-REWPJTCUSA-N 386.536 3.765 0 40 GHAB COc1ccc(OC)c(NC(=O)c2cc(Br)c(OC)c(OC)c2)c1 408558182 SCQCMIVIYPCAQP-UHFFFAOYSA-N 396.237 3.736 0 40 GHAB Cc1nc2ccccn2c(=O)c1CCN(C)Cc1cccc(Cl)c1Cl 557530479 MSLILUJQXJNPHI-UHFFFAOYSA-N 376.287 3.984 0 40 GHAB COc1c(S(=O)(=O)Nc2cccc(C(=O)O)c2)ccc(Cl)c1Cl 32601687 NUKXUEMPMLNLKZ-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB O=C(Nc1ccc(F)cc1)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1 32104036 VNEAVTUYPDEKQW-UHFFFAOYSA-N 377.350 3.916 0 40 GHAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 408623189 RFOGKGVNHWYBKB-UHFFFAOYSA-N 378.501 3.673 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(Cc4cnc(C)nc4)C3)cc2n1 72397142 ZVJZETCGGDMJDI-HNNXBMFYSA-N 390.413 3.535 0 40 GHAB C[C@@H](Oc1ccccc1NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 539525020 AYMHNDSLIOXJAD-OAHLLOKOSA-N 396.468 3.726 0 40 GHAB O=C(CN1CCC[C@@H](COCc2ccccc2)C1)NCc1ccccc1Cl 56908458 BEPBVJHDQMYTJH-LJQANCHMSA-N 386.923 3.885 0 40 GHAB CC(C)CNS(=O)(=O)c1ccc(NCCC2=CCCCC2)c(C(=O)O)c1 217553653 BOJOCYXAZDXTES-UHFFFAOYSA-N 380.510 3.622 0 40 GHAB Cc1ccc(C)c(N2C(SCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32640584 HDBDLERKGLNQEI-MJGOQNOKSA-N 386.542 3.578 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1NS(C)(=O)=O 30544415 CADARBCXZFXHDQ-UHFFFAOYSA-N 387.505 3.609 0 40 GHAB Cc1noc(CCC(=O)N2CCC(c3cccc(Oc4ccccc4)n3)CC2)n1 72384483 UYUDSBIHKLSOFR-UHFFFAOYSA-N 392.459 3.904 0 40 GHAB COc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 72362088 BJQNQCKXXYTJKB-QGZVFWFLSA-N 390.443 3.692 0 40 GHAB CC[C@H](NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccccc1 44947594 MAWLHPYNOAZODE-HKUYNNGSSA-N 388.533 3.725 0 40 GHAB CCC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1 224014196 AUXJAFJBIDAYAD-OAHLLOKOSA-N 390.505 3.723 0 40 GHAB C[C@H](CN1CCCC1=O)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 40156880 RRFFCDKPWJLKFG-GFCCVEGCSA-N 380.366 3.706 0 40 GHAB Cc1cc(OCC(=O)NCCOc2ccccc2Cl)ccc1Br 224241507 LYNNXRDOKYSRRJ-UHFFFAOYSA-N 398.684 3.985 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 222840021 HORILYAMEWYWRB-QFIPXVFZSA-N 396.531 3.878 0 40 GHAB CCOC(=O)c1cccnc1SCC(=O)N[C@H](C)c1ccc(Cl)cc1 40141051 ZZUSUIUORTUGEW-GFCCVEGCSA-N 378.881 3.881 0 40 GHAB Cc1ccc(C(=O)NCc2cccc(Cl)c2)cc1N1CCCCS1(=O)=O 224514778 IRZWCUOGIDDORC-UHFFFAOYSA-N 392.908 3.508 0 40 GHAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 223591606 ZEWYFOHHRYXAIN-MOPGFXCFSA-N 399.903 3.960 0 40 GHAB CC(C)(Oc1nn(-c2ccccc2)cc1Br)C(=O)NC1CCCC1 227159533 IGAGADZOMJMADX-UHFFFAOYSA-N 392.297 3.851 0 40 GHAB Cc1ccc(CN(CCCn2ccnc2)Cc2cnc(N3CCCCC3)nc2)o1 43277758 HIVKWKUJURZWDN-UHFFFAOYSA-N 394.523 3.657 0 40 GHAB Cc1ccccc1OCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC(C)C 224075524 YLTYZZCQRHLZSX-LJQANCHMSA-N 382.504 3.563 0 40 GHAB COCCNC(=O)c1cc(N)ccc1NC(c1ccccc1)c1ccccc1 225497037 VCGQONCQBOJLGZ-UHFFFAOYSA-N 375.472 3.847 0 40 GHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1nc(-c2ccccc2)no1 223268068 BODMJJWFMDOVEI-OAHLLOKOSA-N 377.444 3.699 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCc3ccccc3)c2)cc1 224259485 UWTPJOGDUNJABN-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB Cc1ccc(CN2CCC[C@]3(CCN(C(=O)c4cccc(N(C)C)c4)C3)C2)o1 96215900 LVZBGWABXOXCSZ-QHCPKHFHSA-N 381.520 3.782 0 40 GHAB O=C(CSc1ccc(F)cc1)NCCn1nc(C(F)(F)F)cc1C1CC1 96103742 LKIADVYRPXEVFD-UHFFFAOYSA-N 387.402 3.827 0 40 GHAB COc1cccc(NC(=O)O[C@H]2COCCN(c3nc4ccccc4s3)C2)c1 96296506 DNWRKEPPSQMPJD-MRXNPFEDSA-N 399.472 3.759 0 40 GHAB biogenic,in-vitro Cc1ccc(-c2cnc3n2CCN(C)C32CCN(C(=O)c3ccco3)CC2)cc1 96037088 FWBGEMJJCNJSFH-UHFFFAOYSA-N 390.487 3.528 0 40 GHAB Cc1ccc(-c2noc([C@H]3CCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cc1 257331666 XTTKTBKJSPLIHG-KRWDZBQOSA-N 383.473 3.532 0 40 GHAB Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)nc(-c2ccccc2)n1 622858119 BVBJKAQPOICHJG-MSOLQXFVSA-N 378.476 3.572 0 40 GHAB O=C(Nc1ncc(C2CCOCC2)s1)N[C@H](C[C@H]1CCCO1)C(F)(F)F 654105591 LPCDEJKPJVFXJE-DGCLKSJQSA-N 393.431 3.659 0 40 GHAB CCOc1cc2c(cc1CNC(=O)N1Cc3ccc(OC)cc3C1)O[C@H](C)C2 654356034 KNMJGICPTHYDHN-CQSZACIVSA-N 382.460 3.643 0 40 GHAB C[C@H](Cc1ccc2c(c1)CCCC2)N[C@H](C)Cn1ncc2ccccc2c1=O 657934397 AFLLHCQOCKRHJF-QZTJIDSGSA-N 375.516 3.885 0 40 GHAB Cc1c(O[C@@H](C)C(=O)O[C@H](C)C(=O)O)ccc2c(=O)c(-c3ccccc3)coc12 725403158 YLROTNHBRBCJRC-KGLIPLIRSA-N 396.395 3.552 0 40 GHAB COc1ccc(CCNC(=O)NC[C@](C)(OC)c2cccc(Cl)c2)cc1 96393283 CEGOTCWPUYXEON-FQEVSTJZSA-N 376.884 3.752 0 40 GHAB Cc1nc(C)c(CN2C[C@@H](C(=O)NCCC(C)(C)C)C3(CCOCC3)C2)s1 585101810 AVPOCRIWEQZYME-KRWDZBQOSA-N 393.597 3.541 0 40 GHAB O=C(OCC1c2ccccc2-c2ccccc21)[C@H]1Cc2ccccc2[C@H](C(=O)O)N1 95944447 ZCQLLVWEFAHPJL-DHIUTWEWSA-N 399.446 3.682 0 40 GHAB C[C@@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)NC(N)=O 5255648 IWESQIXRNVHWJF-MRVPVSSYSA-N 378.504 3.542 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 5318872 AARLXQNDNHZMEJ-KGLIPLIRSA-N 393.512 3.561 0 40 GHAB CCN(CC)C(=O)c1c(OC)cc(C)cc1[C@H](O)c1cc(OC)cc(OC)c1 5663755 MUTBAUUHADTSNC-OAQYLSRUSA-N 387.476 3.585 0 40 GHAB CC(C)[C@H](Sc1nc(Nc2ccccc2)c2ccccc2n1)C(=O)NC(N)=O 5969150 DFUKZYGVDVDMKV-INIZCTEOSA-N 395.488 3.685 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3ccncc3)cc2N1 12182408 AFKRCPNMQBYNER-UHOFOFEASA-N 393.413 3.953 0 40 GHAB COC(=O)[C@@H](CCSC)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 13000124 LMMVAXVQVHWPLE-MSOLQXFVSA-N 389.542 3.931 0 40 GHAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)C(Cl)(Cl)Cl 14404771 GZBXTTRBFMJAPE-UHFFFAOYSA-N 375.643 3.588 0 40 GHAB Cc1ccc(S(=O)(=O)C[C@@H](CN2CCC(C)CC2)N2CCC(C)CC2)cc1 19363726 XNAOGRWKUALYNB-OAQYLSRUSA-N 392.609 3.601 0 40 GHAB CCCc1nc2cc(NC(=O)c3cccc(N4CCCC4=O)c3)ccc2n1C 19525497 IIXVZSVOJMWLHT-UHFFFAOYSA-N 376.460 3.905 0 40 GHAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)CN2CCCCCC2)n1 19558432 ZPQUVTHRTCOAER-LJQANCHMSA-N 397.523 3.596 0 40 GHAB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccccc1O 6348353 CCSBVWGBAOYECW-BOPFTXTBSA-N 381.453 3.991 0 40 GHAB Cc1cccc(-n2c(C)nnc2SC[C@@H](O)COCc2ccccc2F)c1 7112190 SZGFDQSWHJBGRT-SFHVURJKSA-N 387.480 3.693 0 40 GHAB O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3o2)cc1 4496366 YPRGUYSDIHCYOB-UHFFFAOYSA-N 392.436 3.907 0 40 GHAB Cc1nc2c(=O)n(CC(=O)Nc3ccccc3F)nc(-c3ccccc3)c2s1 8954986 ZCAPBWIDYOELLV-UHFFFAOYSA-N 394.431 3.606 0 40 GHAB CCOc1ccc(N2C[C@@H](CNC(=O)Nc3ccccc3Cl)CC2=O)cc1 9039616 RESAQLUKLYOXCX-CQSZACIVSA-N 387.867 3.913 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2ncsc2c1 10217356 QNNWFFWKHMTXDV-UHFFFAOYSA-N 380.878 3.752 0 40 GHAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4cccs4)c3)cn2n1 11693434 YPOOXPGXMVFMQV-UHFFFAOYSA-N 380.429 3.727 0 40 GHAB O=C(COc1cccc2ccc(N3CCCCC3)nc12)NCCc1ccccc1 17178903 NDAVVIJBLCIGHM-UHFFFAOYSA-N 389.499 3.963 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NC[C@H](O)c1ccc(-c2cccs2)o1 1775967111 FXXLZQWBIGMCRG-AWEZNQCLSA-N 397.905 3.815 0 40 GHAB FC(F)Oc1ccc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc1 23211680 KVFRNVSKTWFZLZ-UHFFFAOYSA-N 377.460 3.803 0 40 GHAB Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1ccccc1F)C3 49003177 UVQMJOGDWUZZKI-UHFFFAOYSA-N 399.853 3.626 0 40 GHAB CSCc1cccc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1 30000444 QEBKJQVCZMHZBX-JOCHJYFZSA-N 397.588 3.658 0 40 GHAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C)c2cc(C)sc2C)cc1 40074226 VSPRDVHXRZBFTF-QBKVNLCDSA-N 386.517 3.769 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 40057923 GJGPDMUYLOKEJW-RBUKOAKNSA-N 386.492 3.731 0 40 GHAB C[C@H](NC(=O)CCC(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1 40156679 VKESIQWBCZQCRE-LBPRGKRZSA-N 378.444 3.569 0 40 GHAB CN(Cc1ccccc1)C(=O)CS(=O)(=O)Cc1ccc(Cl)cc1Cl 40106075 JSTOOSZOCUKYHW-UHFFFAOYSA-N 386.300 3.567 0 40 GHAB O=C(C1CC1)N1CCC(C(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 40159526 CNIRJLMEHJTPMT-UHFFFAOYSA-N 390.527 3.907 0 40 GHAB C[C@H]1CC(=O)c2c(OCC(=O)Nc3ccc4c(c3)OCCO4)ccc(Cl)c21 31871338 BFIGMGYIHVZURA-NSHDSACASA-N 387.819 3.819 0 40 GHAB O=C(NCc1ccccc1OC(F)F)[C@H]1CCCN(C(=O)c2cccs2)C1 32755459 JOPGTBLRHOPAKN-AWEZNQCLSA-N 394.443 3.518 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 32914481 CAELXEFBFRPKDJ-CYBMUJFWSA-N 378.428 3.698 0 40 GHAB COc1ccc(OC)c(NC(=O)CN(C)Cc2cc(Br)cs2)c1 52847697 MEACMYDHDBSQSG-UHFFFAOYSA-N 399.310 3.598 0 40 GHAB COc1ccc(CCNCc2csc(-c3ccc4c(c3)OCO4)n2)cc1OC 103168948 PIBMETLUYBJPHN-UHFFFAOYSA-N 398.484 3.888 0 40 GHAB CCOC(=O)NCCC(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 53261468 KSPFCYXCEYAKLY-OAHLLOKOSA-N 398.463 3.644 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1C 787033 CTJOEHZCTRVZTI-UHFFFAOYSA-N 388.880 3.880 0 40 GHAB NNc1nc(OCC(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 850709 VBCBGESGNOMXSW-UHFFFAOYSA-N 376.342 3.568 0 40 GHAB Cc1sc(NC(=O)c2ccco2)c(CN2CCN(c3ccccn3)CC2)c1C 950080 JVCOZJLKHRVZMW-UHFFFAOYSA-N 396.516 3.927 0 40 GHAB COc1ccc(Br)cc1CN1CCC[C@@H](C(=O)N2CCCCC2)C1 1277859 POCCWDXEMQOTQF-OAHLLOKOSA-N 395.341 3.682 0 40 GHAB Cc1sc2nc(SCC(=O)N3c4ccccc4C[C@@H]3C)[nH]c(=O)c2c1C 1368206 CBXBBHUNZFJYQZ-JTQLQIEISA-N 385.514 3.671 0 40 GHAB O=C1C[C@@H](N2CC=C(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 1441182 FVAFGMLAISESTJ-LJQANCHMSA-N 384.838 3.900 0 40 GHAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C(O)(c1ccccc1)c1ccccc1 1692991 LUCHUTHFRXFTCW-SIKLNZKXSA-N 379.500 3.730 0 40 GHAB biogenic O=C1N(CN2CCC(Cc3ccccc3)CC2)c2ccccc2C12OCCCO2 2253466 USGBLGWZHXTKOO-UHFFFAOYSA-N 392.499 3.535 0 40 GHAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccnc3)n2C)c(Cl)c1 2386906 WSHYIJOUJRKTQT-UHFFFAOYSA-N 387.896 3.878 0 40 GHAB Cc1cc(C)c(NC(=O)CCCOC(=O)[C@@H]2COc3ccccc3O2)c(C)c1 2657122 BZRULZQOCOTDEB-IBGZPJMESA-N 383.444 3.714 0 40 GHAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)c1 2662985 RWZQASBKJQAMQO-NRFANRHFSA-N 396.487 3.586 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)CCSc3ccccc3)sc2c1 3231123 FTFVZMIZVOEGNZ-UHFFFAOYSA-N 392.527 3.821 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)/C=C/c1ccc(Br)o1 3246962 JMJLTZMZKZPCKF-CRALRDPISA-N 390.233 3.576 0 40 GHAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1C 3256395 CTQQDMVUWCGBEK-VQHVLOKHSA-N 375.446 3.902 0 40 GHAB CCOc1ccc(Oc2ccc(NC(=O)CSc3nncn3C)cc2)cc1 3343980 ACXAGFLTZWSUNC-UHFFFAOYSA-N 384.461 3.737 0 40 GHAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(Br)cc3)cc12 4032912 AXCTVQZQVBBZJN-UHFFFAOYSA-N 399.288 3.880 0 40 GHAB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)Nc1ccc(Cl)cn1 4360453 FFHGSAOBDJZFEZ-UHFFFAOYSA-N 382.803 3.903 0 40 GHAB COc1cccc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)c1OC(C)C 4363857 MVKBEXLZTSPRRF-PDGQHHTCSA-N 380.444 3.884 0 40 GHAB COc1cc(-c2noc(CCC(=O)Nc3ccc(C)cc3)n2)cc(OC)c1OC 4384109 WUVBCOYVZPYRMO-UHFFFAOYSA-N 397.431 3.642 0 40 GHAB CCCCNC[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 4429918 IJYOEYVFODZMCS-SKVIEZSMSA-N 381.564 3.864 0 40 GHAB C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 4548818 YMNBJUUDVMNEGN-AVRWGWEMSA-N 385.463 3.983 0 40 GHAB O=C(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)NC1CCCCC1 4553718 IYPGLUCYXCXIDD-OAHLLOKOSA-N 398.575 3.957 0 40 GHAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(I)cc1 4714083 BOSIZHBUFLIOAI-ZROIWOOFSA-N 393.155 3.775 0 40 GHAB O=C1CCCN1C(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1 4891355 JEPNQOLGWIDHHQ-UHFFFAOYSA-N 378.457 3.615 0 40 GHAB COCCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 5081251 MYUPVUXXTGVHRS-UHFFFAOYSA-N 390.443 3.560 0 40 GHAB COc1cc(CCNC(=O)c2ccc(CSC)cc2)c(C(C)=O)cc1OC 5206391 VDZOEQAOZDSYQO-UHFFFAOYSA-N 387.501 3.742 0 40 GHAB O=C(Nc1ccccc1)c1ccc(COn2nnc3ccc(Cl)cc32)cc1 5458773 NVHBTWIMBFFMNH-UHFFFAOYSA-N 378.819 3.966 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 5638316 BQEKKNXZYTWIRL-MRXNPFEDSA-N 380.444 3.573 0 40 GHAB CCn1c(CSc2nc3ccccc3s2)nnc1S[C@H](C)C(=O)OC 6140587 PGRZGNZYWCLZTP-SNVBAGLBSA-N 394.547 3.854 0 40 GHAB CCCc1ccc(OCc2ccc(C(=O)N3N=CC[C@]3(O)C(F)(F)F)o2)cc1 6462360 SLTVFKFHSJUMMT-SFHVURJKSA-N 396.365 3.894 0 40 GHAB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(Cl)cc1Cl 6961899 YOFXOEJVBIMUKD-SDQBBNPISA-N 377.231 3.503 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(OC(C)C)cc3)CC2=O)cc1 6962955 VLSSJMFEJOCBKT-MRXNPFEDSA-N 382.460 3.864 0 40 GHAB O=c1c(Cl)c(Cl)cnn1CN1CCC(c2nc3ccccc3s2)CC1 7778283 YOJYKSMCNCIFPQ-UHFFFAOYSA-N 395.315 3.997 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(Cc3ccccc3)n2C)c1C 7814971 SSQHCWPKLKFQCG-OAHLLOKOSA-N 396.516 3.917 0 40 GHAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc3c(c2)OCO3)o1 8769118 NLIXDROJZVAQJV-UHFFFAOYSA-N 390.399 3.621 0 40 GHAB Cc1cccc(-n2c(N)cc(=O)nc2SC(=O)N2CCCc3ccccc32)c1 9190180 NXKJILVUECZJJP-UHFFFAOYSA-N 392.484 3.788 0 40 GHAB C[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N1C(=O)NC2(CCCCCCC2)C1=O 9683056 GQSYWHKGDMHEEH-MSOLQXFVSA-N 399.535 3.547 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1C(=O)NC(C)C 10008976 YDZYXFAOKZWIKC-UHFFFAOYSA-N 398.484 3.787 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 10365474 AOXOZXXHIQBFIJ-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc2ccccc2[nH]c1=O 11376985 CRIUJLNMACYCSF-UHFFFAOYSA-N 390.361 3.537 0 40 GHAB C[C@@H](Sc1ccccn1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12528335 AQXGNVRTGLEXAX-SNVBAGLBSA-N 381.379 3.566 0 40 GHAB O=S(=O)(Nc1ccc2nc(N3CCCC3)sc2c1)c1cccc(F)c1 12561092 SUMQTNMDPSCMJU-UHFFFAOYSA-N 377.466 3.836 0 40 GHAB Cc1nc(NC(=O)c2ccccc2Br)sc1-c1nccn1C 12604464 JPVIWIKTYWWMGP-UHFFFAOYSA-N 377.267 3.867 0 40 GHAB COc1ccc(NC(=O)CN(C)CCC(=O)Nc2cccc3ccccc23)cc1 12770894 CKDUOQUZITZCLO-UHFFFAOYSA-N 391.471 3.748 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1cc(C(=O)O)ccc1Cl 13167784 VLBIROAQMMVJJR-UHFFFAOYSA-N 384.613 3.818 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(F)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716416 WCSCIOYPPPKEGV-SFHVURJKSA-N 378.469 3.626 0 40 GHAB CCc1ccc(OCc2nnc(SCC(=O)NC3CCCC3)n2CC)cc1 13842302 JAEBECWAVHIRHE-UHFFFAOYSA-N 388.537 3.590 0 40 GHAB C[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccc(Cl)cc1Cl 14111738 XNXXCJCXGZGPIQ-LLVKDONJSA-N 378.259 3.524 0 40 GHAB O=C(c1c[nH]c2ccccc12)[C@H](NCCC(=O)N1CCCC1)c1ccccc1 14121566 IUHNHGHUYYDKKK-JOCHJYFZSA-N 375.472 3.694 0 40 GHAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCN(c2ccccc2)CC1 14205349 PQLBIAOECSNNSO-UHFFFAOYSA-N 397.425 3.901 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cn1ncn(C)c1=S)CC2 14208283 LZAVSKQRZUQNDL-FQEVSTJZSA-N 396.516 3.573 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc21 15867569 CKVFPCBFXAXGIK-UHFFFAOYSA-N 391.880 3.929 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(CCO)C3=O 16753745 WNIZQDYDSCHJRN-HXUWFJFHSA-N 377.440 3.762 0 40 GHAB CCOC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc(C(=O)NC)c1C 18255237 IJPVPTCZWLDRHZ-UHFFFAOYSA-N 386.429 3.591 0 40 GHAB Cc1ccc([C@H](C)C(=O)N2CCC(n3nc4c(cc3=O)CCCCC4)CC2)cc1 19135873 SFMWJETZXURFHF-SFHVURJKSA-N 393.531 3.788 0 40 GHAB Cc1nc2nc(C(=O)N[C@H](C)c3nc4ccccc4s3)cc(C(C)(C)C)n2n1 19286775 YFTKCLKFJGMTLY-LLVKDONJSA-N 394.504 3.831 0 40 GHAB O=C(NCc1noc(-c2ccc(Cl)cc2)n1)[C@H](c1ccccc1)N1CCCC1 19369177 DIQZLJKOSOBJHG-IBGZPJMESA-N 396.878 3.843 0 40 GHAB Cc1cc(C)cc(C2(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)CCOCC2)c1 19662001 MMTJEZMWKDASEM-JOCHJYFZSA-N 398.522 3.910 0 40 GHAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)c2)cc1 19691094 PXZXVTONGSMBQS-JOCHJYFZSA-N 380.488 3.951 0 40 GHAB COc1ccccc1CCC(=O)Nc1ccc([C@H]2CCc3nncn3C2)cc1 19699020 PICDOQITHLKCBM-SFHVURJKSA-N 376.460 3.588 0 40 GHAB CCc1cc2c(CN(C)CCOc3ccc(OC)cc3)cc(=O)oc2cc1O 20799318 IKXGJXXNBXMKBC-UHFFFAOYSA-N 383.444 3.580 0 40 GHAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCc2sccc2C1 21627571 QIMJHJVHOFQJKX-UHFFFAOYSA-N 386.561 3.746 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22397540 VVHHWYBLPCPZHH-SFHVURJKSA-N 388.533 3.564 0 40 GHAB COC(=O)c1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1C 23054401 YCWCELDBURWMKQ-UHFFFAOYSA-N 393.443 3.778 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(-n3cncn3)cc2)c1 23056380 JSLOYASSMSHYAE-UHFFFAOYSA-N 389.415 3.703 0 40 GHAB CC(C)c1c(C(=O)N(C)CC(=O)NC(C)(C)C)cnn1-c1cccc(Cl)c1 23109811 HUIISSNVZOAHIN-UHFFFAOYSA-N 390.915 3.636 0 40 GHAB COc1cc(NC(=O)c2cc(OC)cc(Br)c2OC)cc(OC)c1 23175244 QMRBCZZZUTYWHS-UHFFFAOYSA-N 396.237 3.736 0 40 GHAB O=C(Nc1cccc2c1CCCC2)c1ccccc1S(=O)(=O)N1CCCCC1 23976093 HLHLYTDHIOMVMI-UHFFFAOYSA-N 398.528 3.992 0 40 GHAB Cc1cc(=O)c(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)nn1-c1ccccc1F 25144410 HRSFOBQPTZWTGX-CHWSQXEVSA-N 397.372 3.531 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)cc1 26051243 MEAXSRHGUOTHTA-HYJLXUOHSA-N 383.444 3.756 0 40 GHAB Nc1nc(Cl)cc(N2CCN(Cc3ccc(-c4ccccc4)s3)CC2)n1 26708947 AXEVUTHJVSZITF-UHFFFAOYSA-N 385.924 3.763 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC2CCCCCCC2)cc1 26766401 CAUYUOJZFYVVTN-UHFFFAOYSA-N 394.581 3.879 0 40 GHAB COc1ccc(C(=O)Nc2cnn(COc3ccc(F)cc3Cl)c2)cc1 28229113 KMZWXZWLFABXGK-UHFFFAOYSA-N 375.787 3.973 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 30756108 TVMNZHMIRCCKJH-IAGOWNOFSA-N 394.581 3.955 0 40 GHAB O=S(=O)(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccccc1Cl 31722868 DHAWKJOMUJQPIK-UHFFFAOYSA-N 399.921 3.857 0 40 GHAB CN(C)[C@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccc(F)c1 32674759 DTSHQCQNFFZYFS-JOCHJYFZSA-N 392.478 3.922 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)NCCCOc2ccccc2)C1 32862349 PBKUJAAIGGFYPF-SFHVURJKSA-N 381.476 3.516 0 40 GHAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)N3CCc4ccccc4C3)nnc12 35289962 MPWNLPHXDUWSFK-ZHRRBRCNSA-N 394.544 3.724 0 40 GHAB C[C@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 36476295 LXFQLTIZBZXSHH-PXNSSMCTSA-N 380.488 3.862 0 40 GHAB Cc1cc(O)nc(-n2nc(C)cc2NC(=O)c2ccccc2SC(F)F)n1 38740353 WILBCILYHFNHAY-UHFFFAOYSA-N 391.403 3.552 0 40 GHAB CCSc1nnc(NC(=O)COc2ccc(Br)c(C)c2)s1 40988131 RNBAZJKPVFMHKR-UHFFFAOYSA-N 388.312 3.739 0 40 GHAB O=C(Nc1ccccc1-n1cccn1)N1CCN(c2ccccc2Cl)CC1 48150318 KROODOVZMJHXBO-UHFFFAOYSA-N 381.867 3.880 0 40 GHAB CC(C)c1noc(CCCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)n1 48301049 DXRTZFPGSQOWTP-UHFFFAOYSA-N 382.420 4.000 0 40 GHAB CCSc1ccccc1C(=O)NCc1nc(COc2ccc(OC)cc2)no1 49027153 VGVCUYODOWKFBN-UHFFFAOYSA-N 399.472 3.699 0 40 GHAB COc1ccc(Cc2nnc(C3CCN(C(=O)c4cccnc4)CC3)s2)cc1 49422492 RMUIFEDASPEEAD-UHFFFAOYSA-N 394.500 3.552 0 40 GHAB CN(C)c1ncccc1CNC(=O)CCc1nc2ccccc2n1-c1ccccc1 52992680 OMAJKLHQDRIOEZ-UHFFFAOYSA-N 399.498 3.736 0 40 GHAB C[C@H]1Oc2ccccc2N(CCC(=O)NCc2csc3ccccc23)C1=O 57837428 NSXWQRKCEQSJFN-CQSZACIVSA-N 380.469 3.722 0 40 GHAB Cc1nccn1-c1ccccc1CNC(=O)c1cnn(-c2ccc(F)cc2)c1C 58113283 ZBKHQUXYAGPNEK-UHFFFAOYSA-N 389.434 3.744 0 40 GHAB C[C@H]1CN(Cc2cccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)c2)CCO1 58149349 CNMIGWHUPRNWAC-PNKSNWOJSA-N 382.548 3.740 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)n1 61719700 OLKRYFLRSFTSLM-UHFFFAOYSA-N 398.488 3.810 0 40 GHAB COc1cccc(-n2ccn3c(SCc4ccccc4Cl)nnc3c2=O)c1 64593644 WGIGOCZRIGZZLY-UHFFFAOYSA-N 398.875 3.835 0 40 GHAB Cc1cc(-n2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nn2)ccc1F 67262001 XCCCXSYXCRFCRP-UHFFFAOYSA-N 378.329 3.664 0 40 GHAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1ccc(C(F)(F)F)cc1 70636172 PBFJUDYREQHPLK-GOSISDBHSA-N 395.402 3.871 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN(c2ccncc2)CC1 70928728 SXNNKVCCSOBLLJ-UHFFFAOYSA-N 387.911 3.925 0 40 GHAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72353812 RHXKHAMKNMLFNQ-OAQYLSRUSA-N 395.522 3.922 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)s2)cc1 72405182 JOLXPCXTAYUSQX-KKSFZXQISA-N 386.517 3.894 0 40 GHAB CC1(C)Cc2ccc(C(=O)N3CCC(OCCc4ccccc4)CC3)c(O)c2O1 78441321 DNXZHIKFUDSAOX-UHFFFAOYSA-N 395.499 3.970 0 40 GHAB Cc1noc(C)c1[C@H](C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 84022997 CVGJIQZHHUUECJ-HNNXBMFYSA-N 391.471 3.533 0 40 GHAB COc1ccc(-c2cc(N(C)C(=O)C[C@H]3OCCc4ccsc43)n[nH]2)cc1 95400204 GYHLUNYNJDUURS-QGZVFWFLSA-N 383.473 3.814 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CCOC(C)(C)C3)s2)cc1OC 95480453 SYZPCELLSVCCMK-CQSZACIVSA-N 390.505 3.823 0 40 GHAB OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CCN1Cc1ccsc1 95501926 DDZCVCWGMQFCDU-LJQANCHMSA-N 399.585 3.940 0 40 GHAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21 96242037 QHGXZONKZIGNHK-MRXNPFEDSA-N 382.529 3.888 0 40 GHAB Cn1ccnc1C1(O)C[C@H]2CC[C@H](C1)N2C(=O)c1ccccc1-c1ccccc1 100128691 GSUBEWXCYXHHCD-RTBURBONSA-N 387.483 3.742 0 40 GHAB CCOc1cccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c1O 106766317 XSVSPLULARLLMV-LGMDPLHJSA-N 385.441 3.906 0 40 GHAB CCOC[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218512697 VUMLLWYHCNZSSR-HSALFYBXSA-N 393.936 3.570 0 40 GHAB COc1ccccc1N(CCCC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O 222576550 OGSPGFIKZQJZTC-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCc1ccccc1OC 222982632 YHVDPJOGPXFHKN-QGZVFWFLSA-N 398.503 3.537 0 40 GHAB CSc1ccc(S(=O)(=O)NCc2ccccc2C)cc1NC(=O)C(C)C 224317829 UMRJXEMTGXFBRR-UHFFFAOYSA-N 392.546 3.790 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(F)cc1 224643279 JGSFPKPRCPKTTN-HNNXBMFYSA-N 390.886 3.964 0 40 GHAB Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)cc1C 224664385 HEECKEYYLBHRCU-GOSISDBHSA-N 384.495 3.927 0 40 GHAB CCOC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(SC)cc2)c1C 224993467 QYYVBVUASNDPNA-UHFFFAOYSA-N 379.503 3.719 0 40 GHAB CCn1c(=O)sc2cc(NC(=O)C3CCN(Cc4ccccc4)CC3)ccc21 225110558 WTDJEHFEICQDIN-UHFFFAOYSA-N 395.528 3.934 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 225285271 DTXRIOSHDMDPOU-KRWDZBQOSA-N 393.487 3.754 0 40 GHAB O=C(NCc1ccc(F)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 225825907 NMIRHTVHNHLZIX-UYRXBGFRSA-N 380.444 3.975 0 40 GHAB FC(F)(F)c1cc(N2CCc3ccccc3C2)nc(NC(=S)NC2CC2)n1 226004578 FNMFZFASZLEHEM-UHFFFAOYSA-N 393.438 3.507 0 40 GHAB COc1ccc2c(c1)nnn2C(=O)COc1c(C)cc(C)cc1Br 226359840 UEPAOAFTKJOYQG-UHFFFAOYSA-N 390.237 3.538 0 40 GHAB CCOc1ccccc1S(=O)(=O)NCCn1nc(C)c(-c2ccccc2)c1C 238851531 JKBCILIGACGNDA-UHFFFAOYSA-N 399.516 3.544 0 40 GHAB COc1ccc([C@H]2CCCN2[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 245237013 BGAXKRSESCBXSC-UXHICEINSA-N 398.890 3.813 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[C@H](O)CN1CCN(c3ccccc3)CC1)C2 253531624 JQRIJBVNFRDMPG-CHLMOITFSA-N 386.580 3.791 0 40 GHAB CC[C@@H](O)Cn1nc(-c2cc(C(=O)O)ccc2OC)cc1-c1ccc(F)cc1 257219893 DIRRPAPDEZCHAP-MRXNPFEDSA-N 384.407 3.834 0 40 GHAB Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 257244160 IKDSIJVFDKCOTB-GOSISDBHSA-N 379.439 3.611 0 40 GHAB CN1CCN(C(=O)C2(Cc3ccc(F)cc3)CCOCC2)C[C@@H]1c1ccccc1 257278521 OCOUJOKFDIXNSL-JOCHJYFZSA-N 396.506 3.680 0 40 GHAB CCN(Cc1ccncc1)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccccc1F 257287346 PPNMOMQMCKHJDG-NQIIRXRSSA-N 383.467 3.569 0 40 GHAB O=C(NCCSc1c[nH]c2ccccc12)c1ccnc(OC2CCOCC2)c1 390827271 FZUBWTILZXUQBA-UHFFFAOYSA-N 397.500 3.643 0 40 GHAB O=Cc1cc(Br)c(Sc2nnc(COc3ccccc3)o2)o1 408552300 LOPOFQOREGNWFD-UHFFFAOYSA-N 381.207 3.968 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cc1OC 408712970 DVGRKLQOKWGNIJ-UHFFFAOYSA-N 393.852 3.548 0 40 GHAB CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1Cl 409129755 MBHCYOSXACWLLN-BJMVGYQFSA-N 376.217 3.513 0 40 GHAB CC(C)(C)[C@H](NC(=O)NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)c1ccccc1 566714694 PLNLFDAXWBGEBM-SYZJIKQUSA-N 380.532 3.582 0 40 GHAB Cc1cc(-n2nc3cc(N)c(Cl)cc3n2)cc(C)c1I 575415024 JMHDBQBDDISXAI-UHFFFAOYSA-N 398.635 3.878 0 40 GHAB CC(=O)Nc1ccc(CN2CCC[C@@](O)(COc3ccc(C)cc3)CC2)cc1 585271378 GJXRCUMUPXQMFF-QHCPKHFHSA-N 382.504 3.749 0 40 GHAB C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 613838156 WKLORKLFLMTHHY-JWKVNWIBSA-N 392.580 3.565 0 40 GHAB Fc1ccccc1-c1nnc([C@H]2CCCN(c3nccn4nccc34)C2)s1 1888928964 FIAVLJJUXGVESF-ZDUSSCGKSA-N 380.452 3.771 0 40 GHAB Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)CC(C)C)cc3n2)cc1 724364 QKDFQYJBOFHLMN-UHFFFAOYSA-N 381.505 3.896 0 40 GHAB CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)OC(C)C 916067 JPBVILIEHGMOCP-UHFFFAOYSA-N 383.901 3.883 0 40 GHAB S=c1sc2ccccc2n1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22941442 ZTFLQUQQCONNHD-UHFFFAOYSA-N 399.541 3.936 0 40 GHAB O=C(Cc1cccc2ccccc12)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 803415 YIRHKXYLNAQJJC-OAQYLSRUSA-N 388.467 3.930 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 54675440 UCTJYAUKQOOBPR-UHFFFAOYSA-N 381.885 3.747 0 40 GHAB CC(C)Cn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1ccncc1 6327396 YIUKQRXUGSGXSN-UHFFFAOYSA-N 375.542 3.734 0 40 GHAB O=C(OCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)c1cccc(O)c1 8447537 GDVYPIPJUSRQHK-FQEVSTJZSA-N 389.407 3.716 0 40 GHAB COCCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)c(C)c2)n1 8476965 XBAQKDDQXLWRNG-UHFFFAOYSA-N 398.894 3.971 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)cc1 1240796 HOAAXOGNOCABMN-LJQANCHMSA-N 397.500 3.525 0 40 GHAB CSc1ccc(CN(C)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 24993117 PWXWVQLPHRYBLK-UHFFFAOYSA-N 381.501 3.626 0 40 GHAB CN(C)C(=O)c1cccc(NC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)c1 24929149 BVWSTHNVJOOZNM-MQVJKMGUSA-N 390.574 3.939 0 40 GHAB Cc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102593042 YNWUYIJQIAYDOL-SOJYOXCPSA-N 398.462 3.805 0 40 GHAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)C[C@H](O)c4ccc(O)cc4)[C@H]3C=C12 35361977 UIYOCYWELGJUCX-ILEMCGPMSA-N 399.531 3.672 0 40 GHAB biogenic Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c(OC[C@H]2CCCO2)c1 57363319 GFHTXCUHJSGWFA-OAHLLOKOSA-N 378.428 3.647 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccncc2)o1 3262395 DIMDWRQJPRIZAG-UHFFFAOYSA-N 390.852 3.833 0 40 GHAB Cc1ccsc1C(=O)N1CCN([C@H](C)c2nc(Cc3ccccc3)no2)CC1 57993120 JWXMKDXWTUYUGZ-MRXNPFEDSA-N 396.516 3.549 0 40 GHAB O=C(Nc1cccc(NC(=O)c2cc3c(cc2O)OCO3)c1)c1cccs1 48280177 LCGLBKIRTWYTMQ-UHFFFAOYSA-N 382.397 3.687 0 40 GHAB COc1ccccc1-c1nn2c(O)cc(CCc3c(C)n[nH]c3C)nc2c1C 100775756 SRCKGKJEQIGGLG-UHFFFAOYSA-N 377.448 3.544 0 40 GHAB Cc1ccc(C)c(N2CCN([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1 57669760 UOHAVMIWPYWKBH-FQEVSTJZSA-N 384.572 3.954 0 40 GHAB CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2ncccc2C)s1 44903297 KAMXLCCIKBHBMB-UHFFFAOYSA-N 380.473 3.960 0 40 GHAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 58406552 VXEDIPVFSIVTQS-VHSXEESVSA-N 385.213 3.514 0 40 GHAB O=C(NCc1ccc(OC(F)F)cc1)[C@@H](c1ccccc1)N1CCSCC1 48302832 JNIVXXIBJPGTBC-GOSISDBHSA-N 392.471 3.694 0 40 GHAB COc1ccccc1C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C)cc1)CC2=O 2398170 ALFAEMZGVUXMOX-MRXNPFEDSA-N 387.439 3.959 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccccc2C(C)(C)C)no1 12894911 HEVBBQWVUHFWOS-CYBMUJFWSA-N 375.494 3.979 0 40 GHAB CCOc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 12812493 NEMAGKXOYLMQIJ-INIZCTEOSA-N 381.476 3.773 0 40 GHAB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(OCC)cc1 2463684 LEMKYDZNWRPRQR-NVXWUHKLSA-N 388.489 3.687 0 40 GHAB Cc1cc(C)c2c(n1)nn1c(N3CCN(C4CCCCC4)CC3)cc(C)nc21 2440736 GLXWEAIQGTVQFO-UHFFFAOYSA-N 378.524 3.657 0 40 GHAB COc1ccccc1COC[C@@H](O)CN(Cc1ccc(F)cc1F)C1CC1 59375661 KBZPERYHMYYRBS-IBGZPJMESA-N 377.431 3.516 0 40 GHAB CC[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc(Cl)cc1 11739209 IYQGKTYUUDHFSK-KRWDZBQOSA-N 381.863 3.877 0 40 GHAB C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1cccs1 12822437 YFLBGEZLTLTDGG-ZDUSSCGKSA-N 396.509 3.553 0 40 GHAB COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2619564 UFLBWUMEOXLAFT-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1cccc(F)c1 3504408 UDHJNUCAJNSOBM-UHFFFAOYSA-N 377.371 3.852 0 40 GHAB C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1ccc(Cl)cc1 12995547 MMHUZOJXQDSZHA-OLZOCXBDSA-N 392.908 3.542 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)cc1 12902091 VRSNXELAQPCULD-FFXXTYGZSA-N 394.471 3.656 0 40 GHAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)c1 13217762 HDNNFCJLCJVFGR-NRFANRHFSA-N 398.418 3.942 0 40 GHAB Cc1sc(NC(=O)c2ccccc2F)nc1-c1ccc2c(c1)NC(=O)CO2 19796459 ZTHRJIWXTBIDNV-UHFFFAOYSA-N 383.404 3.841 0 40 GHAB O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)C[C@@H](O)c1ccccc1 65647632 FDAFTLFAMIIWQT-QGZVFWFLSA-N 377.462 3.598 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)cc2Cl)cc1OC 5404656 ZAHJWXUDQXDAPE-RMKNXTFCSA-N 389.835 3.861 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(OC)c3ccccc23)C1=O 4695938 BDVUIOWDQGUJHR-UEMWTREESA-N 385.441 3.836 0 40 GHAB CCc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3 5570956 VQJLXONIIZTWJV-UHFFFAOYSA-N 399.541 3.777 0 40 GHAB CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CCNC(C)=O)cc1 6638348 ITLCREXHEWXRAJ-UHFFFAOYSA-N 376.840 3.996 0 40 GHAB O=C(CNc1ncnc2cc(-c3ccc(F)cc3)sc12)NCc1ccco1 9375887 VOEWTVGGJYZJGX-UHFFFAOYSA-N 382.420 3.819 0 40 GHAB CC(=O)c1ccc(OC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 6905869 SEBJDZLVWOXENZ-UHFFFAOYSA-N 376.412 3.545 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1nc(-c2ccccc2)oc1C 5938432 JLJXNYIWWUTJRS-UHFFFAOYSA-N 396.399 3.706 0 40 GHAB CC1CCN(c2ccc(NC(=O)CN3C(=O)CC4(CCCCC4)C3=O)cc2)CC1 7047056 IZRRFXNVUCCCLD-UHFFFAOYSA-N 397.519 3.571 0 40 GHAB Cc1cccc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1C 7059882 POKYWANINXDKEJ-UHFFFAOYSA-N 398.450 3.833 0 40 GHAB CCOc1cc(CNCCCCN2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1OC 67453076 HYUGKXWPCQCSBS-HZPDHXFCSA-N 384.948 3.726 0 40 GHAB COc1cc(OC)c([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1OC 7113320 STQIVRBFLHHZKU-KRWDZBQOSA-N 396.365 3.841 0 40 GHAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3nnc(C4CC4)n3C)c2C)cc1 7235134 YMKFRSYNSVMDKF-UHFFFAOYSA-N 396.520 3.534 0 40 GHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Br)ccc1Cl 15607022 XHMVUQWMZDGSMI-HNNXBMFYSA-N 396.668 3.617 0 40 GHAB O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 7988568 XDPYWUHFSSUQSB-QGZVFWFLSA-N 377.469 3.797 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)NCCc2c[nH]c3ccccc23)o1 8277802 MOPLDSYBGZNFMS-UHFFFAOYSA-N 382.445 3.570 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)CNc1ccc(SC(F)F)cc1)OCO2 69449080 YUYJWPOCXYNONV-UHFFFAOYSA-N 394.399 3.983 0 40 GHAB COc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)c1 8470073 KVWQGQCPOXDWNX-UHFFFAOYSA-N 390.395 3.898 0 40 GHAB Cc1csc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)n1 19911227 GKOIGODUAHVKMO-SFHVURJKSA-N 395.484 3.928 0 40 GHAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cccc2nsnc12 19077570 QWSKVLDGFKJGQF-UHFFFAOYSA-N 375.866 3.952 0 40 GHAB Cc1cc([C@]2(C)NC(=O)N(Cc3ccc(Br)s3)C2=O)c(C)o1 72067815 AOWVHWCRUKSFIR-HNNXBMFYSA-N 383.267 3.688 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)N(C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 9850405 AFXASYRGUJOLLQ-IEBWSBKVSA-N 385.504 3.650 0 40 GHAB Cc1ccnc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c1 95402672 DFPIGVJGJOHYCQ-KRWDZBQOSA-N 380.275 3.709 0 40 GHAB CO[C@]1(C)C[C@H](NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1(C)C 97212708 ZTWKIBQRMCZURW-YVEFUNNKSA-N 383.370 3.689 0 40 GHAB CC1=NN(c2ccc(C(=O)OC[C@H]3CCN(Cc4ccccc4)C3)cc2)CC1 89919812 TXEVVPQTOBCOIV-FQEVSTJZSA-N 377.488 3.952 0 40 GHAB Cc1cccc(CN2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 306139152 SQOSNPRMTWUMNQ-QFIPXVFZSA-N 385.471 3.673 0 40 GHAB O=c1[nH]c(Cc2nnc3n2CCCCC3)nc2sc(-c3ccccc3)cc12 66606111 QGVXOWMNXDKSQV-UHFFFAOYSA-N 377.473 3.560 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 30863489 WOPNOSVFNAOMKZ-CYBMUJFWSA-N 380.897 3.819 0 40 GHAB COCCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 32831062 GQOXMDYLSXRHKI-UHFFFAOYSA-N 389.395 3.840 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CSCN1C(=O)OCc1ccccc1 408737813 PATIPMCFNIGZNM-INIZCTEOSA-N 376.865 3.990 0 40 GHAB COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3ccccc3C)n2)c1 33761995 FNNXBUVDJOUECU-UHFFFAOYSA-N 384.461 3.528 0 40 GHAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NCc1ccco1 33012565 USHJBFZFHAGIMN-UHFFFAOYSA-N 375.384 3.692 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 32983472 FROVSXMDWDNZLY-LBPRGKRZSA-N 376.338 3.692 0 40 GHAB O=C1C[C@H](Nc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 36635840 YMMKFZIJKRJQFE-AWEZNQCLSA-N 379.641 3.847 0 40 GHAB COc1ccc(Oc2nccnc2C2CCN(C(=O)c3cccnc3)CC2)cc1 72362083 PACKIMATYKENBN-UHFFFAOYSA-N 390.443 3.692 0 40 GHAB NC(=S)[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 218650958 YQDFYVJNPRGXMG-ZNMIVQPWSA-N 386.325 3.835 0 40 GHAB C[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)CC1 62927957 PRYKSZGQGGUFLX-CYBMUJFWSA-N 375.469 3.726 0 40 GHAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C)c2C)c1C 224559761 JKYSTUWZOLJHOL-UHFFFAOYSA-N 377.462 3.598 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2cccc(F)c2)c1 224485300 XFPPOSOWRIBJGY-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cn1 222863195 GQOJDXXXDCBQIQ-VQTJNVASSA-N 377.517 3.958 0 40 GHAB Cc1ccccc1OCCNC(=O)COc1ccc(Cl)cc1Br 224246365 SJIANILLQLFUJF-UHFFFAOYSA-N 398.684 3.985 0 40 GHAB COc1ccc2cc([C@@H](C)C(=O)N3CCC(C(=O)N4CCCC4)CC3)ccc2c1 40023397 ZWPNYYFFECTEDJ-QGZVFWFLSA-N 394.515 3.813 0 40 GHAB CCS(=O)(=O)c1ccc2oc([C@H]3CCN(Cc4ccccc4C)C3)nc2c1 49169138 BIIRAKVSZHORBY-KRWDZBQOSA-N 384.501 3.919 0 40 GHAB biogenic,in-vitro O=C(Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1)NC1CC1 77200754 DJUZKQNOTXADKS-UHFFFAOYSA-N 378.350 3.659 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 225347806 URSDWHDTLNUSEV-ROUUACIJSA-N 382.504 3.570 0 40 GHAB COc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3nc(C)ccc23)cc1 49004919 SLHNHZOJQWVYHR-UHFFFAOYSA-N 394.500 3.879 0 40 GHAB CCOc1ccc(CNS(=O)(=O)c2c(C)cc(OC)cc2C)cc1OCC 223282548 LTZPZXHJNNEFMX-UHFFFAOYSA-N 393.505 3.588 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 225008874 OGCRIBNDHQVOQJ-MOPGFXCFSA-N 382.504 3.706 0 40 GHAB Fc1cccnc1OCC[C@@H]1CCOC12CCN(Cc1nccs1)CC2 247535153 QGAJJWIZKYGXAB-OAHLLOKOSA-N 377.485 3.517 0 40 GHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)S1 260784314 VSUZGBJXGXKHDM-CDHQVMDDSA-N 375.501 3.916 0 40 GHAB C[C@@H](NC(=O)c1cc2c(N(C)C)ncnc2n1C)c1cccc(C(F)(F)F)c1 673814684 ICUZUZBABBETSE-LLVKDONJSA-N 391.397 3.544 0 40 GHAB COCCOc1cc(C(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)nc2ccccc12 678649671 PBJNZNMSOIZPSU-ROUUACIJSA-N 398.503 3.539 0 40 GHAB COc1cccc(S(=O)(=O)NCc2sc(-c3cccs3)nc2C)c1 90592882 AIUXNUQMBISHOM-UHFFFAOYSA-N 380.516 3.667 0 40 GHAB O=C1[C@@H](O)CCCCN1Cc1nc(Cc2ccc(C3CCCCC3)cc2)no1 664924422 RZCXZTBKQWXTDY-IBGZPJMESA-N 383.492 3.582 0 40 GHAB CC(C)(C)n1nnc(C(=O)N(Cc2ccc3[nH]ccc3c2)Cc2cccs2)n1 585124221 HJXNVAVCYMERKT-UHFFFAOYSA-N 394.504 3.814 0 40 GHAB Cc1nc([C@@H](NC(=O)Nc2cccc(Cl)c2N(C)C)c2ccccc2)n[nH]1 69292347 IKJIPCLSZJRSKO-INIZCTEOSA-N 384.871 3.744 0 40 GHAB OC[C@@]1([C@@H](NCc2coc(-c3ccccc3C(F)(F)F)n2)C2CC2)CCCO1 1170639985 UGWMNLKSFBGDOA-PKOBYXMFSA-N 396.409 3.770 0 40 GHAB O=C(NCc1ccc(CNC(=O)NC2CCCCC2)cc1)NC1CCCCC1 5569670 NNKDFVGZMRSMLX-UHFFFAOYSA-N 386.540 3.950 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 5999249 SMXUTZHNUHUCOD-NSHDSACASA-N 395.326 3.727 0 40 GHAB COc1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1Br 11613819 LUIUYTPOYLQEAE-UHFFFAOYSA-N 390.686 3.590 0 40 GHAB Cc1cc(C)n(CCCC(=O)N2CCc3onc(-c4ccccc4F)c3C2)n1 12325940 WJGLDLHAUQPXOH-UHFFFAOYSA-N 382.439 3.659 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1F)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716320 VGWPHPYGRBHUSH-GOSISDBHSA-N 378.469 3.626 0 40 GHAB COc1ccc(C(=O)OCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(OC)c1 16035535 ZJTFDDXVSYNOGE-GMBSWORKSA-N 378.465 3.865 0 40 GHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1COc2ccccc2O1 16628941 CDLAQAMBCXLTED-LBPRGKRZSA-N 381.259 3.704 0 40 GHAB COc1cc(CN2CCC[C@@H](c3nn(C)c4nccnc34)C2)ccc1OC(C)C 19450762 QLSGQKAXCQXEJP-QGZVFWFLSA-N 395.507 3.539 0 40 GHAB CC[C@@H](NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1ccc(OC)cc1 19500493 DVVKKZJHMRBLRP-OAHLLOKOSA-N 381.398 3.667 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccccn3)cc2N1 19520743 HGYWDVBEOKYSOR-UHOFOFEASA-N 393.413 3.953 0 40 GHAB Cc1c(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cnn1C 19694087 GVDLGBSHQQCDHO-LJQANCHMSA-N 390.535 3.631 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2-n2ccnc2)cc1 19715430 YULQGPFFOWWKHM-HXUWFJFHSA-N 376.460 3.657 0 40 GHAB O=C(COC(=O)c1cc2ccccc2cc1O)NC12CC3CC(CC(C3)C1)C2 5079354 PXWVJDSLWOVFOU-UHFFFAOYSA-N 379.456 3.787 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3ccccc3F)CC2)CN1c1cccc(F)c1 2037839951 GIRIRLRIQJJYMY-JOCHJYFZSA-N 386.442 3.753 0 40 GHAB COc1ccccc1CN1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037841175 ZDJCIEBQPOOPCR-QHCPKHFHSA-N 398.478 3.622 0 40 GHAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccccc3C)co2)n1 4377168 SMXBWCWJMQJYQW-UHFFFAOYSA-N 382.441 3.867 0 40 GHAB CCCCN1CC2=C(C1=O)[C@@H](c1ccc(OCc3ccccc3)cc1)NC(=O)N2 7573166 IEWVZBYXEWWQNV-OAQYLSRUSA-N 391.471 3.516 0 40 GHAB COc1ccccc1C(=O)Nc1nnc(-c2ccc(Br)s2)o1 11695459 RIGNHUHURFJSNV-UHFFFAOYSA-N 380.223 3.822 0 40 GHAB Cc1cc(NC(=O)COc2ccccc2)n(-c2nc3c(F)cccc3s2)n1 21685427 SLQKDXNASDUXFR-UHFFFAOYSA-N 382.420 3.947 0 40 GHAB COc1ccc(C[C@@](C)(O)CNC(=O)c2csc(-c3ccccc3)n2)cc1 206705805 CTBFCVOJDSSDGE-OAQYLSRUSA-N 382.485 3.542 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)c(C)o1 42380009 FTXVUWHVGYZGCC-OAHLLOKOSA-N 395.415 3.695 0 40 GHAB Cc1ccc(-n2ncc(C(=O)Nc3ccc(-n4cncn4)nc3)c2C(C)C)cc1 40074012 PPQOGRHVAMKZNE-UHFFFAOYSA-N 387.447 3.532 0 40 GHAB COC(=O)c1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364496 HUHYAWTWYDDJOG-SFHVURJKSA-N 388.423 3.632 0 40 GHAB O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 32362754 IRJLILOVKQMLIB-GOSISDBHSA-N 390.439 3.737 0 40 GHAB CN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32795501 SKUIGWDVLBDKJT-GFCCVEGCSA-N 393.306 3.522 0 40 GHAB CCC(=O)Nc1ccc(C(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1 32789429 CIEDZXJNLOFISC-UHFFFAOYSA-N 397.500 3.641 0 40 GHAB CC(=O)N1C[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)Oc2ccccc21 32883687 CDDCCRDUEWMRTN-WOJBJXKFSA-N 386.879 3.967 0 40 GHAB O=C(CCC1CCCCC1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 32908596 NFPYKCFKDKSXRO-UHFFFAOYSA-N 388.537 3.803 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C[C@@H](O)COc1ccc(Cl)cc1Cl 33015056 RRJWMGWFCSTXBC-OAHLLOKOSA-N 398.286 3.636 0 40 GHAB COc1cc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc(OC)c1OC 778489 JISPWQQKWXRPQV-UHFFFAOYSA-N 396.399 3.810 0 40 GHAB Cc1ccc(C(=O)N(C)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 990799 MGVHYNOGYQLLGI-UHFFFAOYSA-N 386.517 3.836 0 40 GHAB O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl 991157 MKMUWAWIJSZBHH-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 2225309 ZIYDUOXYFIWRDB-UHFFFAOYSA-N 395.503 3.786 0 40 GHAB CCc1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 3040135 YSBBJMAGAAZXBY-UHFFFAOYSA-N 381.213 3.871 0 40 GHAB CCN(C(=O)COC(=O)c1ccc2c(c1)OCCO2)c1cccc2ccccc12 3276453 WEYCVNHWWMQGSS-UHFFFAOYSA-N 391.423 3.821 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCCN(C)C)cc12 3305260 DJRFHZNWKPBVCV-UHFFFAOYSA-N 376.913 3.730 0 40 GHAB O=C(OCc1csc(-c2ccccc2)n1)[C@H]1CC(=O)N(Cc2ccccc2)C1 3314700 OAYONUMOWHDFTD-SFHVURJKSA-N 392.480 3.902 0 40 GHAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(C(C)=O)c1)C(C)C 3561791 UVCWWZGUTCPDHH-FQEVSTJZSA-N 382.460 3.681 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)c1 4033192 WQNFVFKXRVBPSL-UHFFFAOYSA-N 388.427 3.974 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cc(F)cc(F)c1 4741913 VEEQSDYGUGYZSI-IBGZPJMESA-N 399.397 3.793 0 40 GHAB COc1ccc(CSc2nnc(SCC(=O)NC(C)(C)C)s2)cc1 5211321 WDOGLLHXHFCSEU-UHFFFAOYSA-N 383.564 3.846 0 40 GHAB Cc1ccc(-c2csc3ncn(CC(=O)N[C@H](C)C(C)C)c(=O)c23)cc1C 5263776 BIRDLNTVHSWKDP-OAHLLOKOSA-N 383.517 3.903 0 40 GHAB C[C@H]1c2cc3c(cc2CCN1S(=O)(=O)c1cccc(Cl)c1)OCCCO3 5423042 GQGASCCCPOGGQC-ZDUSSCGKSA-N 393.892 3.809 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)Oc1ccc(Br)cc1 5576341 JFYBQDVRQVVNKN-UHFFFAOYSA-N 379.206 3.645 0 40 GHAB CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)OC 5978209 QQCOAAFKJZXJFP-FSYQKNMKSA-N 382.541 3.521 0 40 GHAB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)CC1 6308126 RFULLXDKUROLDG-XNTDXEJSSA-N 378.881 3.635 0 40 GHAB O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1ccccc1Cl 6336403 PXDBKCLRQCTVOE-UHFFFAOYSA-N 396.925 3.548 0 40 GHAB Cc1c(CC(=O)Nc2cccnc2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 6624342 ATFZGNHWIZQZJH-UHFFFAOYSA-N 378.428 3.781 0 40 GHAB biogenic CSc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 6818990 LZCBNRHAAUTAMM-ZDUSSCGKSA-N 396.559 3.509 0 40 GHAB COc1ccccc1CCNC(=O)CSc1ccc(-c2cccs2)nn1 6859202 NCICDAVMSDQPPV-UHFFFAOYSA-N 385.514 3.665 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccn1 7016333 VGKXINHXAHLNIB-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccoc3C)o2)c1C 7194202 DTBUCKZCVOEBJF-UHFFFAOYSA-N 375.450 3.678 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCc2ccccc21 7376004 YXWKQOOYPUPMMO-HNNXBMFYSA-N 396.306 3.814 0 40 GHAB Cc1cccc(NC2=N[C@H](c3ccc(Cl)cc3)n3c(nc(C)cc3=O)N2)c1 7495824 UWIWTKRJRKVNDV-SFHVURJKSA-N 379.851 3.954 0 40 GHAB O=C(Nc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 7599930 AYKRFEPJRVXIIF-UHFFFAOYSA-N 396.871 3.519 0 40 GHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(C(=O)O)cc2)CC1=O 7928189 HSIOYZIOWCKUJS-QGZVFWFLSA-N 380.444 3.501 0 40 GHAB Cc1ccccc1CNC(=O)c1ccccc1SCC(=O)NCc1ccco1 7977065 RBFSFECXFHFJAT-UHFFFAOYSA-N 394.496 3.927 0 40 GHAB CC(C)[C@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1 8003132 ARKKACIMVNMEPB-FQEVSTJZSA-N 383.883 3.846 0 40 GHAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1c[nH]nc1-c1ccccc1 8710038 QUGPIJFIQIIZGX-UHFFFAOYSA-N 388.471 3.633 0 40 GHAB COc1ccc(C[C@@H](NC(=O)Cc2c(C)noc2C)c2ccc(OC)cc2)cc1 8752241 QRZNWKHJQWXFKQ-JOCHJYFZSA-N 394.471 3.951 0 40 GHAB Cc1cccc(NC(=O)COc2cccc3ccc(N4CCOCC4)nc23)c1C 8769556 CHZRBXOQKYEARN-UHFFFAOYSA-N 391.471 3.706 0 40 GHAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)CC(C)C)ccc21 9169479 FAQLHYBOLWCNFH-UHFFFAOYSA-N 396.553 3.882 0 40 GHAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccs3)c3ccccc32)cc1 9530568 BOGAQASTSOZLGJ-QFIPXVFZSA-N 393.464 3.764 0 40 GHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 9903575 KQYLDCNNHZUMRB-UHFFFAOYSA-N 377.366 3.657 0 40 GHAB CC(C)NC(=O)c1cccc2c1CCCN2Cc1nc(-c2ccc(F)cc2)no1 10133354 QRCHJLBXBJMMKR-UHFFFAOYSA-N 394.450 3.967 0 40 GHAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@H](C)C3)c2)CC1 10541752 GTFYUGLAMSRPIS-HNNXBMFYSA-N 398.956 3.633 0 40 GHAB CC(=O)Nc1ccc(SCCCC(=O)Nc2ccc(C(F)(F)F)cc2)nn1 11793390 BJVUUCOCSUJZSK-UHFFFAOYSA-N 398.410 3.965 0 40 GHAB O=C1NCC2(CCC(C(=O)NC3CCCCC3)CC2)Oc2ccc(Cl)cc21 12087231 NRAKJBXCSWWROL-UHFFFAOYSA-N 390.911 3.840 0 40 GHAB O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccncc2)C1)C1CCCC1 12089238 ROSVHNIZALBHPU-MOPGFXCFSA-N 384.549 3.798 0 40 GHAB COc1ccc(CN2CCC3(CC2)OCCc2cnc(C(C)C)nc23)cc1OC 12220558 DVCNUDPDGRIJFP-UHFFFAOYSA-N 397.519 3.681 0 40 GHAB COc1ccccc1CNC(=O)CCn1c(-c2ccncc2)cc2cccnc21 12222700 LZYKVJOHMJXWNA-UHFFFAOYSA-N 386.455 3.813 0 40 GHAB Cc1cccc(N2CCN(Cn3nc(-c4ccoc4C)n(C)c3=S)CC2)c1 12645725 JVWLVTBVAHAPTB-UHFFFAOYSA-N 383.521 3.608 0 40 GHAB CC(C)c1ccc([C@@]2(C)NC(=O)N(C[C@H](O)c3ccc(Cl)cc3)C2=O)cc1 12764067 KCOLOXUYVMNRBU-GHTZIAJQSA-N 386.879 3.964 0 40 GHAB Cc1nc(-c2ccc(CNC(=O)c3cnc4c(cnn4C(C)C)c3)o2)cs1 12973486 UEIMYTAGNAKHBZ-UHFFFAOYSA-N 381.461 3.967 0 40 GHAB Cc1cccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1 13364834 CQGLSWDPWFWBEO-UHFFFAOYSA-N 393.491 3.820 0 40 GHAB COc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)N1CCCCCC1 13800563 QNGBQOHRQLQJED-JZJYNLBNSA-N 378.472 3.869 0 40 GHAB Cc1ccc(S(=O)(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)cc1C 14188643 XTKMUPBSYSHIPG-UHFFFAOYSA-N 385.489 3.953 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NC2CCCCCC2)cc1 15390848 UMDCXPODVCAXFS-IBGZPJMESA-N 392.565 3.767 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc(-n3cnnn3)cc2)c(C(C)C)cc1Cl 15645470 COEKKRBHEWWCMU-UHFFFAOYSA-N 385.855 3.765 0 40 GHAB CCOc1ccc(CCNC(=O)CN[C@@H]2CCCc3ccccc32)cc1OCC 16694756 RWQURJNLKATSDF-OAQYLSRUSA-N 396.531 3.810 0 40 GHAB CCc1nn(CC(=O)Nc2ccc(F)c(Cl)c2)c(=S)n1-n1cccc1 16777808 XCPGFWIGHJELLN-UHFFFAOYSA-N 379.848 3.521 0 40 GHAB O[C@H](COc1cccc2ccccc12)CN1CCN(c2ccc(F)cc2)CC1 17201196 YLBSTOOHBMKFMY-NRFANRHFSA-N 380.463 3.541 0 40 GHAB Cc1cc(-c2cnc(C3CCN(C(=O)c4ccccn4)CC3)nc2C(C)C)on1 19121657 QZPPERJZBTYZEA-UHFFFAOYSA-N 391.475 3.978 0 40 GHAB Cc1cc(-c2cnc(C(C)C)nc2CCNC(=O)Cc2sc(C)nc2C)on1 19123348 RCRWGWCMTMQSPO-UHFFFAOYSA-N 399.520 3.538 0 40 GHAB CCC(CC)C(=O)N1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1C 19500162 DKCWXBPVFOANQL-LJQANCHMSA-N 396.539 3.577 0 40 GHAB CC(=O)N[C@H]1CCO[C@@H](c2cccc(NC(=O)c3cccc4cccnc34)c2)C1 19712254 KGXPZPKBGNFEPC-PZJWPPBQSA-N 389.455 3.843 0 40 GHAB CCOC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c1 20765158 DOECBEMSXQZMGM-UHFFFAOYSA-N 396.472 3.688 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1(c2ccc(Cl)cc2)CC1 21364897 GXVCUFVUAQDUGR-UHFFFAOYSA-N 388.870 3.676 0 40 GHAB Cc1nc(SCC(=O)N2c3ccccc3C[C@@H]2C)n(C[C@H]2CCCO2)c1C 22091962 BKXHUDHZEGBKED-KBXCAEBGSA-N 385.533 3.749 0 40 GHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H]1CC1(Cl)Cl 23659845 JPJRMRWMTIXNJD-JTQLQIEISA-N 383.197 3.674 0 40 GHAB COc1ccnc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 23881548 HZRKJHJWVKTRMR-UHFFFAOYSA-N 396.441 3.675 0 40 GHAB Cc1nc(-c2ccco2)nc2sc(C(=O)N[C@H](C)Cn3cccn3)c(C)c12 24804702 DCWHMZGMSGWKSP-LLVKDONJSA-N 381.461 3.583 0 40 GHAB NC(=O)c1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 28505525 IJJJLWRJMAFQPB-UHFFFAOYSA-N 399.244 3.738 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1 28731370 FXRKNFKPWHFAJW-CYBMUJFWSA-N 394.452 3.578 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N[C@H](c2cccc(F)c2)c2nccn2C)s1 29081943 RXTCWNGMLCWQIS-LJQANCHMSA-N 385.464 3.798 0 40 GHAB CC(C)OC(=O)Cn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 31903576 GRQQVTNCPJHXPQ-SFHVURJKSA-N 391.471 3.504 0 40 GHAB COc1cccc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)c1OC 32610610 QUPKIGICZQJKFA-UHFFFAOYSA-N 383.423 3.957 0 40 GHAB Cc1cccc(OCCNC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)c1 32925222 GAXRYEQVCFJOGZ-UHFFFAOYSA-N 395.484 3.515 0 40 GHAB CCC(CC)N(C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C1CC1 32925592 PUQLDIHPCLCNPP-UHFFFAOYSA-N 397.496 3.857 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cn1 33095783 VWOBCTKNUUQNIR-INIZCTEOSA-N 378.259 3.940 0 40 GHAB C/C=C/C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)c1 39742924 RVEPSVAZCVTKBP-HWKANZROSA-N 394.456 3.981 0 40 GHAB Cc1cccc(CN2CCC(C(=O)NCCCN3CCc4ccccc43)CC2)c1 39768896 ZSMXSDYURCMBQK-UHFFFAOYSA-N 391.559 3.776 0 40 GHAB CC(C)C(=O)N1CCC(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)CC1 40069937 JDKSEXOQZVTWML-UHFFFAOYSA-N 382.426 3.879 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2ccccc2N(C)c2ccccc2)CC1 40119787 LSBZDKJKVTUTTN-UHFFFAOYSA-N 381.476 3.805 0 40 GHAB C[C@@H](NC(=O)C[C@@H]1CCCO1)c1cccc(NC(=O)Cc2ccccc2F)c1 40142417 LXTBIMAKUWYSHX-BEFAXECRSA-N 384.451 3.753 0 40 GHAB COc1ccccc1C(=O)Nc1ccnn1Cc1cccc(Br)c1 44532473 YWNYMCFBVPCYFE-UHFFFAOYSA-N 386.249 3.955 0 40 GHAB COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)C1 45887503 KRTSFYGKPGFKEI-GFCCVEGCSA-N 384.819 3.983 0 40 GHAB COC(=O)c1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)s1 46397745 LXNWFGOEGRDQIO-INIZCTEOSA-N 395.484 3.587 0 40 GHAB Cc1ccc(-c2nc(COc3ccccc3S(=O)(=O)C(F)(F)F)no2)cc1 58168364 OBCGEXDAVWDEOC-UHFFFAOYSA-N 398.362 3.918 0 40 GHAB CCc1cccc(CC)c1NC(=O)N1CCC(NC(=O)c2cc(C)no2)CC1 58331518 FACCQELPSKSDNM-UHFFFAOYSA-N 384.480 3.534 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCN2C(=O)c3ccccc3N[C@@H]2C(C)C)cc1 61718797 IFNUAMXGAQQZTG-NRFANRHFSA-N 394.475 3.524 0 40 GHAB COc1ccc(CCCNC(=O)COc2ccc(Cl)c(C)c2)cc1OC 65086610 IYPGMUVQJFWXEI-UHFFFAOYSA-N 377.868 3.793 0 40 GHAB O=C(C[C@H]1OCCc2sccc21)Nc1ccc(-c2nnc3n2CCCC3)cc1 66803667 UUJQIXPXERZTSY-QGZVFWFLSA-N 394.500 3.986 0 40 GHAB O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCC[C@H]1C[C@H](O)c1ccccc1 72303642 JNRYFGXKMUJINU-ONTIZHBOSA-N 395.499 3.973 0 40 GHAB CCn1ncc(CN2CCC(c3nccnc3Oc3cccnc3C)CC2)c1C 72384212 GZFLFMQWDPUQGW-UHFFFAOYSA-N 392.507 3.877 0 40 GHAB Cn1ccnc1COc1ccc(CN[C@@H](CN2CCCC2)c2ccccc2)cc1 95352957 IIQLZRAPLCCEQS-QHCPKHFHSA-N 390.531 3.926 0 40 GHAB COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)NCCO)cc1 97024385 ZYCQQNMXLABXHF-ICFOKQHNSA-N 388.467 3.842 0 40 GHAB CC1=C(C)C[C@@H]2C(=O)N(c3ccc(I)cc3C)C(=O)[C@H]2C1 100652312 QHYIXOSSJDJVMH-KBPBESRZSA-N 395.240 3.835 0 40 GHAB NC[C@H]1CC[C@H](C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCCCC2)CC1 100768872 QHJMFIMYDAPYPO-DSKINZAPSA-N 375.532 3.624 0 40 GHAB Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1C 102593097 LLLMEOKZBBYXLI-SNHGZMDHSA-N 386.451 3.867 0 40 GHAB COc1cccc(Cn2[nH]cc/c2=N\C(=O)c2oc3ccccc3c2C)c1OC 104993776 OTRYNELAQDPLBL-LYBHJNIJSA-N 391.427 3.677 0 40 GHAB O=C(O)c1cc(S(=O)(=O)NC2CCCC2)ccc1NCCC1=CCCCC1 217575529 FLBBJNXOXPWNMY-UHFFFAOYSA-N 392.521 3.908 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)c(C)c1 222602492 AAFNGSGTZVEYRF-UHFFFAOYSA-N 375.475 3.631 0 40 GHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCc2ccccc21 223099153 VCTZDLMBZFRSQI-SFHVURJKSA-N 378.516 3.902 0 40 GHAB CCSc1nnc(NC(=O)C2CCN(Cc3ccccc3C)CC2)s1 223343545 VDRIPAXOBJZZBA-UHFFFAOYSA-N 376.551 3.809 0 40 GHAB COc1ccc(CSCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 224734664 SLDZXPCSORORRN-UHFFFAOYSA-N 385.529 3.793 0 40 GHAB CN(C)C(=O)c1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 225579143 DGLIWWGKTLZHGB-QGZVFWFLSA-N 383.517 3.977 0 40 GHAB COc1ccc(CNC(=O)NCc2ccnc(-c3ccsc3)c2)cc1OC 225757559 DTUTWHJUEPPOPS-UHFFFAOYSA-N 383.473 3.827 0 40 GHAB COc1cc(N2CCc3ccccc3C2)nc(NC(=S)NC2CCCCC2)n1 226007545 LRGQEZITFCZXNV-UHFFFAOYSA-N 397.548 3.667 0 40 GHAB c1cnc(Nc2cccc([C@H]3CN(Cc4ccnc5ccccc45)CCO3)n2)nc1 257301331 RXZPVZFJVUWVDV-OAQYLSRUSA-N 398.470 3.737 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC[C@H](C)C2)n1 260733084 FCEHOBYBVUHVPZ-INIZCTEOSA-N 390.601 3.646 0 40 GHAB COc1cccc(CN2C[C@H]3[C@@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)c1 306123516 APDWXVPDKRSAJI-XZOQPEGZSA-N 387.483 3.578 0 40 GHAB O=S(=O)(NCCc1ccc(-c2ccoc2)s1)c1ccc(-n2cccn2)cc1 390829110 CTBQTXRVGURSCR-UHFFFAOYSA-N 399.497 3.715 0 40 GHAB CCCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 408554572 CIHHFWBWMWDEFS-UHFFFAOYSA-N 390.505 3.724 0 40 GHAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccnc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409359957 OKYPQKTUWXSONL-GLJUWKHASA-N 383.414 3.997 0 40 GHAB Cc1cc(F)cc2[nH]c(C(=O)N3CC[C@]4(CC(=O)c5ccccc5O4)C3)cc12 560756720 BPGFEMIKUKVTAK-QFIPXVFZSA-N 378.403 3.866 0 40 GHAB CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 575620600 LGCSQWHZPYBWBL-GFCCVEGCSA-N 384.910 3.729 0 40 GHAB CN(C)[C@@H](CNC(=O)c1cncc(Br)c1)c1cc2ccccc2o1 575620755 LYNADROWVKIGEK-HNNXBMFYSA-N 388.265 3.623 0 40 GHAB Cc1c(CNC(=O)N2CC[C@@H](c3nc[nH]n3)C2)sc2ccc(Cl)cc12 581425776 FOZHGOIVVZPHAD-LLVKDONJSA-N 375.885 3.680 0 40 GHAB CC(C)N(C(=O)c1ccc(Cn2ccccc2=O)o1)[C@H]1CCCc2cccnc21 585080007 PPHMVZLORQCFSM-IBGZPJMESA-N 391.471 3.813 0 40 GHAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccco1)c1cccs1 585146689 CLVWGRJVQNOXPT-CQSZACIVSA-N 384.457 3.545 0 40 GHAB CCN(CC)Cc1ccc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)o1 589580638 OPMMIFNQILGNFF-SFHVURJKSA-N 384.476 3.870 0 40 GHAB O=C(CCCCCc1ccc(I)cc1)N1C[C@H]2C[C@@H]2C1 600218356 HUYAIPZPMOMQQS-HUUCEWRRSA-N 383.273 3.872 0 40 GHAB C[C@H](O)CCCc1cn([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)nn1 641104481 PEVWZUUHOKQMCO-QWRGUYRKSA-N 396.278 3.948 0 40 GHAB O=C(N[C@H](Cc1ccccc1)c1ncco1)N1CCN(c2ccc(F)cc2)CC1 654748525 FVNWADHINDGHFB-HXUWFJFHSA-N 394.450 3.629 0 40 GHAB COc1ccc2c(c1)[C@H](C(=O)N[C@@H](CCC(=O)O)Cc1ccccc1)CCC2 655540823 NMCDLILWJAMUGL-AZUAARDMSA-N 381.472 3.707 0 40 GHAB O=C(NCc1cn(C(F)F)c2ccccc12)N[C@@H]1CCc2ccccc2NC1=O 1252499363 AQOJJLGBUUAOLX-QGZVFWFLSA-N 398.413 3.789 0 40 GHAB COc1ccc(-c2nc(-c3cccnc3)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547139614 VJZZAJDPSXHXBQ-UHFFFAOYSA-N 375.384 3.782 0 40 GHAB biogenic COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2[C@@H](C)c2ccccc2)ccc1C 1622595192 JCLUPBCOOLCPJT-OXJNMPFZSA-N 387.501 3.738 0 40 GHAB O=C(c1cc(Br)cs1)N1CC[C@@H](COc2ccc(F)cn2)C1 1889139404 DPUDAMMECURXMG-SNVBAGLBSA-N 385.258 3.586 0 40 GHAB CC(C)(C)c1cn2nc(OC[C@H]3CCN(c4ccnc(C5CC5)n4)C3)ccc2n1 2087045659 AMOJEKDWAKCRIC-HNNXBMFYSA-N 392.507 3.600 0 40 GHAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(Cc2ccc(Cl)s2)CC1 22876981 QJRRHQADTWQUAQ-ZDUSSCGKSA-N 388.924 3.517 0 40 GHAB c1ccc2c(N3CCN(C[C@@H]4CCCO4)CC3)nc(-c3ccsc3)nc2c1 22806036 YAMIWFIZYJVLHC-KRWDZBQOSA-N 380.517 3.659 0 40 GHAB CCc1nnc(-c2ccc(NC(=O)CCc3nc(-c4ccco4)no3)cc2)o1 78947425 WVQKQOABFRMNHS-UHFFFAOYSA-N 379.376 3.513 0 40 GHAB CC(C)(Oc1cccc(Cl)c1)C(=O)NC[C@@H](CO)Cc1ccc(F)cc1 78994341 LJKKJVYTGSMRPB-HNNXBMFYSA-N 379.859 3.604 0 40 GHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)oc3cc(C)ccc23)C1=O 4514015 UQUBSNHIIAXVNL-JOCHJYFZSA-N 394.402 3.598 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2ccccc2OC(F)(F)F)cc1F 23400583 NHQOJTUWNNBBCR-UHFFFAOYSA-N 393.358 3.554 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1 6348327 IZDMUVYNYQVGHT-UHFFFAOYSA-N 381.215 3.747 0 40 GHAB COc1ccc(C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 6441500 FUFTXHKNRDFARA-UHFFFAOYSA-N 385.470 3.774 0 40 GHAB CCOC(=O)COc1ccccc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O 6955117 MRFHSVWTGDYHQT-OUYOUGTCSA-N 390.505 3.718 0 40 GHAB CC(C)C[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 7037036 PRLWELVNCIQFAG-HXUWFJFHSA-N 378.472 3.966 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)c1nn(-c2ccccc2)c(=O)c2ccccc12 7215842 NWMNRPKLBKTAPZ-HXUWFJFHSA-N 397.434 3.639 0 40 GHAB CCn1c2ccccc2c2cc(/C=C/C(=O)NCCNC(=O)C(C)C)ccc21 23792203 ZQXQMAZUFZILGK-ZRDIBKRKSA-N 377.488 3.716 0 40 GHAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)c1 7882537 GSYFUNUARFPMSK-GOSISDBHSA-N 394.471 3.860 0 40 GHAB O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(-c2ccc(Cl)cc2)o1 7898917 PUJQCSKODQKJCU-UHFFFAOYSA-N 394.814 3.512 0 40 GHAB O=C(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24136122 DOPSCLQFGMUDNH-UHFFFAOYSA-N 391.298 3.886 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CCNC(=O)Nc2ccccc2)c1 24354830 MSAZJMGLFCEMLG-LJQANCHMSA-N 397.475 3.579 0 40 GHAB CN(Cc1ccccc1N1CCCCC1)C(=O)CCNC(=O)Nc1ccccc1 24391674 URYPAWDNECZVQU-UHFFFAOYSA-N 394.519 3.847 0 40 GHAB CCCOc1ccc(C(F)(F)F)cc1N[C@@H](C(=O)NC(N)=O)c1ccccc1 12594771 IDXVWJFVWQRWDE-MRXNPFEDSA-N 395.381 3.842 0 40 GHAB Cc1[nH]c2ccccc2c1CC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1 24857577 CDZOTSOBZYHHMB-UHFFFAOYSA-N 390.487 3.747 0 40 GHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cc2c(cc1Br)NC(=O)CO2 107075274 SUBVAUKISRRDJQ-GARJFASQSA-N 379.254 3.545 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)cc1 9436317 YSFSYOGNDIMLTR-UHFFFAOYSA-N 398.390 3.813 0 40 GHAB COc1ccccc1-c1nc(COc2ccc(S(C)(=O)=O)cc2)cs1 53853379 LAPQTZYPHBTJNT-UHFFFAOYSA-N 375.471 3.801 0 40 GHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccccc1Cl 3221337 DXPQWUHUKPEYDB-UHFFFAOYSA-N 380.853 3.772 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1OCC 3239013 OZAHADBUYWIIQE-UHFFFAOYSA-N 379.359 3.558 0 40 GHAB O=Cc1ccc(O/C(=C(/NC(=O)c2ccccc2)C(=O)O)c2ccccc2)cc1 27026739 JPJQYLABEATANA-QZQOTICOSA-N 387.391 3.761 0 40 GHAB Cc1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c(C)c1 12609007 APJRVINVUMANSB-UHFFFAOYSA-N 389.381 3.954 0 40 GHAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C(=S)Nc2cccc(C(F)(F)F)c2)C1 2091318 JOQPWAFSGVNXBP-OLZOCXBDSA-N 393.434 3.683 0 40 GHAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 100750220 QIHYOIQIBJECQL-SELNLUPBSA-N 383.511 3.989 0 40 GHAB CCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)O 2099121 DXDVPNKCUWICPB-KRWDZBQOSA-N 399.443 3.767 0 40 GHAB biogenic Cc1cc(=O)c(C(=O)Nc2cccc(-c3cnco3)c2)nn1-c1ccccc1F 48205321 BMPXTSONPMVDHU-UHFFFAOYSA-N 390.374 3.587 0 40 GHAB CCc1cc(=O)oc2cc(OCC(=O)N3CCCc4cc(OC)ccc43)ccc12 10199099 MWENZJZGLPGMLH-UHFFFAOYSA-N 393.439 3.722 0 40 GHAB COc1cc(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)ccc1N1CCCC1=O 10185240 PMGUEEBIIVURML-GFCCVEGCSA-N 389.402 3.539 0 40 GHAB CC1(C)CC[C@@H](NC(=O)CCc2nc(-c3cccnc3)no2)c2ccccc21 58193470 OKUPHFBWFCGGIF-GOSISDBHSA-N 376.460 3.993 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](C)c3ccccc3Cl)ccc21 12760233 AVYKEAGPZGJPKI-CYBMUJFWSA-N 392.908 3.679 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)N1CCCN(Cc2ccc(Cl)cc2)CC1 10382335 CIZYSHIFBFQROJ-UHFFFAOYSA-N 387.867 3.809 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccccc1 12789696 QWYOLEIPEJHPGA-MRXNPFEDSA-N 381.457 3.548 0 40 GHAB Cc1cc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1F 12775132 UNMNQGDTTZYIJY-UHFFFAOYSA-N 399.491 3.560 0 40 GHAB CCc1cc2c(=O)n(CC(=O)N[C@@H](C)c3ccccc3Cl)cnc2s1 28032891 ICIZUVGLZIHGKS-NSHDSACASA-N 375.881 3.551 0 40 GHAB Cn1c(CCCCCN2C(=O)c3cccc4cccc(c34)C2=O)n[nH]c1=S 23650160 XJAZLCUGOMXSLQ-UHFFFAOYSA-N 380.473 3.640 0 40 GHAB COc1ccc(-c2nnc3sc(-c4c(OC)cccc4OC)nn23)cc1OC 2366501 UJTXARUSCGIVQS-UHFFFAOYSA-N 398.444 3.554 0 40 GHAB Cc1cc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c2c(C)noc2n1 48355242 DVOLUVNFBNXEMS-UHFFFAOYSA-N 392.459 3.898 0 40 GHAB CCc1nc(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)nn1-c1ccccc1Cl 95449017 MUTPXOPMMYCQTL-CJNGLKHVSA-N 390.915 3.807 0 40 GHAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 101178761 MBEIPAAIJONRMZ-ACRUOGEOSA-N 388.423 3.893 0 40 GHAB O=c1[nH]c(CSc2nnc(-c3ccccc3F)n2C2CC2)nc2ccccc12 11536123 NOGOTLWUZAXTPP-UHFFFAOYSA-N 393.447 3.948 0 40 GHAB COC(=O)C1(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCCCC1 29455501 GGVYFKCSANVOCE-UHFFFAOYSA-N 380.293 3.538 0 40 GHAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cccc3ncccc23)C[C@@H](C)O1 12859306 WYMIVILUTVWCST-IYBDPMFKSA-N 389.455 3.737 0 40 GHAB O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCN(Cc2ccccc2)CC1 26110922 SUTNCGOQTQOGIX-UHFFFAOYSA-N 399.343 3.641 0 40 GHAB Cc1c([C@H](C)NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)oc2ccccc12 46651126 WBLJAPKNMRNGDA-LSDHHAIUSA-N 378.428 3.733 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)c(Cl)c3)n2)cc1 2779198 GWAIJPXAMMIWNC-UHFFFAOYSA-N 397.287 3.742 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)cc1 3462736 HTOOEXAXMGHFKC-GOSISDBHSA-N 387.867 3.692 0 40 GHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)C1 3548420 ABVSKPIKVNHGHP-GJZGRUSLSA-N 390.480 3.745 0 40 GHAB Nc1nc(SCC(=O)NCCc2ccccc2)nc2sc3c(c12)CCCC3 3552018 WFMFUILDLXAKAB-UHFFFAOYSA-N 398.557 3.603 0 40 GHAB CSc1nc2nc(C)c(CCC(=O)N(C)Cc3ccc(C)cc3C)c(C)n2n1 12980503 OESFTCUECWBJOR-UHFFFAOYSA-N 397.548 3.671 0 40 GHAB CCc1ccc(CN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 12995152 VGSSVFXGYRCAIL-UHFFFAOYSA-N 395.528 3.627 0 40 GHAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc(C)c(-n2cccc2)c1 39538826 XJXPQRLVKVILCU-UHFFFAOYSA-N 391.471 3.895 0 40 GHAB Cc1c(O)ccc2c(CSc3n[nH]c4nc5ccccc5n34)cc(=O)oc12 4266007 SCVPSIUCFMKJFJ-UHFFFAOYSA-N 378.413 3.623 0 40 GHAB CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@H]2CCCc3ccccc32)s1 5164142 LOFDLGSSXQOWLJ-INIZCTEOSA-N 386.521 3.649 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 9227426 RYNZAIZXTGPCIL-UHFFFAOYSA-N 392.496 3.658 0 40 GHAB COC(=O)c1c(NC(=O)CCC2CCCCC2)sc(C(=O)N(C)C)c1C 6254130 PFEJQBPWWBRLAM-UHFFFAOYSA-N 380.510 3.844 0 40 GHAB COc1ccc(/C=C/C(=O)NCCSc2ccc(C)cc2)c(OC)c1OC 409411567 JIMJOABNVCXUNV-XYOKQWHBSA-N 387.501 3.943 0 40 GHAB CC(C)Oc1cccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)c1 6364797 KWAIICDHBFXLLN-UHFFFAOYSA-N 379.445 3.892 0 40 GHAB C[C@@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc2c(c1)OCCO2 14118771 TZBGCRZKYWVTQS-DNVCBOLYSA-N 383.444 3.507 0 40 GHAB CCCCCCn1nc(C(=O)OCc2c(C)noc2C)c2ccccc2c1=O 6427549 WGNOOXTVVBETBQ-UHFFFAOYSA-N 383.448 3.939 0 40 GHAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCC(c2nc3ccccc3o2)CC1 14231845 RLCGXEIVATYCIZ-UHFFFAOYSA-N 396.491 3.610 0 40 GHAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1Cl 4694763 LXQBKXTVRGSZJI-CEITULEQSA-N 383.853 3.727 0 40 GHAB C[C@@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)Nc2cccc(Cl)c2)N=C1O 9483187 FOCVYTFVPOWZSB-GUYCJALGSA-N 385.851 3.945 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)cc1C 67322223 MYBBTJCDHOQIGG-UHFFFAOYSA-N 395.438 3.542 0 40 GHAB CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCOC)cc1 7262626 OBPVUWJGZXOBBF-FQEVSTJZSA-N 393.439 3.773 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc1 9484608 VGXGCVVKTVZXKQ-QGZVFWFLSA-N 377.444 3.667 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 7654255 VFZFXCXHNBQYJG-GOSISDBHSA-N 392.908 3.830 0 40 GHAB O=C(NC1CCCCCCC1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 96686936 KDIFKBBAJZZKPH-UHFFFAOYSA-N 387.505 3.725 0 40 GHAB Cc1nn(CCCNC(=O)Cc2ccc(Cl)cc2)c(C)c1Br 27928282 GDHLDXXAPDMVHQ-UHFFFAOYSA-N 384.705 3.665 0 40 GHAB O=C(/N=c1\[nH]c2ccccc2n1CCN1CCCCC1)[C@H]1C[C@@H]1c1ccccc1 28305506 DQNLLBORJSPYNU-UXHICEINSA-N 388.515 3.686 0 40 GHAB CCN(CC)[C@@H]1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C1 72303400 OGFDPOQZBUZNLE-OAHLLOKOSA-N 375.900 3.870 0 40 GHAB CCOc1ccccc1C(=O)NCC(=O)N1CCCCC[C@H]1c1ccccc1 72311546 IHOPRWUPEDNKMK-FQEVSTJZSA-N 380.488 3.959 0 40 GHAB CN1CCN(c2ccccc2CNC(=O)CCc2ccc3ccccc3c2)CC1 89382777 QWGROUKNEOUONK-UHFFFAOYSA-N 387.527 3.841 0 40 GHAB CC(C)n1ncc2cc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)cnc21 9989673 HMCDTZMIOIDQNL-UHFFFAOYSA-N 376.460 3.747 0 40 GHAB Cc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1NC(=O)c1ccco1 9917228 JKJFBLFHTKHALO-UHFFFAOYSA-N 391.471 3.832 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c(C)c1 22340926 LZHRXWDGZBCYFB-SFHVURJKSA-N 388.533 3.564 0 40 GHAB Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 23156961 OFBJGKJMVMTULR-UEKVPHQBSA-N 392.912 3.657 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCCCCC1 408584953 XDDFTRBUNBIRLY-UHFFFAOYSA-N 379.526 3.706 0 40 GHAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1Br 408622304 OXKLPIJIHSHIOT-UHFFFAOYSA-N 379.279 3.893 0 40 GHAB O=C(c1ccco1)N1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 33532210 UFJIONFBHKGGTM-UHFFFAOYSA-N 388.423 3.581 0 40 GHAB COc1cc([C@H]2SC(C)=Nc3c2c(O)nn3C(C)C)cc2c1OCCO2 71284539 OXRZBDMLVVVJLT-MRXNPFEDSA-N 375.450 3.836 0 40 GHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)c(OC)c1OC 219602784 JRZCDJNSVKKWHI-INIZCTEOSA-N 393.867 3.840 0 40 GHAB CCCN1CCC(CNc2c(C)c(C)nc3cc(C4CCOCC4)nn23)CC1 72337434 KIQSJDFEVZVDIJ-UHFFFAOYSA-N 385.556 3.774 0 40 GHAB CC(C)c1ncc(Cl)c(C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)n1 121117664 IXBMJMPOFPXWRR-GFCCVEGCSA-N 388.855 3.701 0 40 GHAB CN(c1ccsc1C(=O)Nc1ccccc1F)S(=O)(=O)c1ccccc1 48986825 GKYOBEHOBYEODA-UHFFFAOYSA-N 390.461 3.965 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)N1CCN(c2ccccc2Cl)CC1 49006239 FZVJPXCMJGZRPH-UHFFFAOYSA-N 386.908 3.858 0 40 GHAB COC(=O)c1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 225249986 URJUCSBZTAWGQE-AWEZNQCLSA-N 383.444 3.767 0 40 GHAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 222907147 JDVIAYCUMOKDSR-SFHVURJKSA-N 396.531 3.569 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)C(C)C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225225842 RKVRRQDSGZSJDK-NHYWBVRUSA-N 395.352 3.699 0 40 GHAB O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccc(Oc2ccccc2)cc1 224272446 ZQCDRZJZOOVXKG-UHFFFAOYSA-N 396.472 3.670 0 40 GHAB Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnc(C5CC5)nc4)cc23)c1F 575441167 NWEZSMXNEDUTNP-UHFFFAOYSA-N 391.381 3.989 0 40 GHAB COc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 224167804 QKMDRUPRKBTKEQ-LJQANCHMSA-N 396.531 3.736 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 225449513 UJHCXTVNQWKPLJ-PMACEKPBSA-N 380.532 3.912 0 40 GHAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21)NCC1CC1 96241984 LNGSEXOKNFMQJF-SFHVURJKSA-N 392.499 3.857 0 40 GHAB COc1ccc2c(c1)OCCN([C@@H](C)c1nc(Cc3ccc(F)cc3)no1)C2 585080515 CWJGPFNEHWLYKD-AWEZNQCLSA-N 383.423 3.764 0 40 GHAB O=C(NC1CCN(c2cc(-c3cccs3)n[nH]2)CC1)c1ccc(F)c(F)c1 98212828 ITDOWECUOPLHAE-UHFFFAOYSA-N 388.443 3.815 0 40 GHAB O=C(NC[C@@H]1CCCO1)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1 257286173 PKOXFBFKACNQMU-FQEVSTJZSA-N 398.478 3.522 0 40 GHAB CC(C)c1cc(C(=O)N2CCC3(CC2)C[C@@H](N(C)c2ccccc2)CO3)on1 257324114 WNFVDIWDKDSCLO-GOSISDBHSA-N 383.492 3.698 0 40 GHAB CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CNC(=O)c2ccccc21 627837244 HPRDJLNQEIWBRT-GOSISDBHSA-N 390.405 3.624 0 40 GHAB CO[C@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc(Cl)cc1 607849330 ZMXSIZPWWQADGP-OAHLLOKOSA-N 395.290 3.501 0 40 GHAB Cc1ccc(Cn2nccc2NC(=O)Cc2nc(-c3ccccc3)oc2C)o1 58045951 AIJPLWILCPFIDD-UHFFFAOYSA-N 376.416 3.977 0 40 GHAB CCOC(=O)c1csc([C@H]2C[C@H](C(C)C)N([S@@](=O)C(C)(C)C)CO2)n1 96503395 MJUCCZCSCZYKTM-FPIQFJIESA-N 388.555 3.528 0 40 GHAB CCC(=O)Oc1c(OC)cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1OC 2071198 OGEYFLPSPWHBFC-NVNXTCNLSA-N 399.374 3.503 0 40 GHAB COc1ccc(C)cc1CSc1nnc(COc2ccc(C)cc2C)n1N 5321002 TXPRHUIURDTEIJ-UHFFFAOYSA-N 384.505 3.797 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4cccc(F)c4)ncnc32)cc1 5501569 YMILDFFUAGIAIF-UHFFFAOYSA-N 393.447 3.994 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 5833446 VCEAPPCWZXAZAP-UHFFFAOYSA-N 397.452 3.992 0 40 GHAB CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCC(C(F)(F)F)CC3)ccc21 12291402 ZNVKCMPXMLPQBR-IBGZPJMESA-N 398.469 3.930 0 40 GHAB CC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713520 KFKGDRTXFCLPHY-QGZVFWFLSA-N 398.887 3.971 0 40 GHAB COc1cccc(OC)c1OC(=O)[C@H](C)Oc1ccc(Br)cc1 15656138 KPXJKTIAKAFKLQ-NSHDSACASA-N 381.222 3.839 0 40 GHAB CC(C)C(=O)N1CCC[C@H](c2nc(-c3ccccn3)ncc2-c2ccncc2)C1 19085453 PQJDIQFQZZVJNN-SFHVURJKSA-N 387.487 3.963 0 40 GHAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CCNC(=O)c1scnc1C 19219969 KYSQUJHRNFTRNV-UHFFFAOYSA-N 395.406 3.524 0 40 GHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N[C@H](C)Cc3ccccn3)cc2N1 19451164 KVVLHVABVJRWJD-IVMMDQJWSA-N 395.429 3.583 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)C[C@H](C)n2nnc3ccccc32)c(OC)c1 19455257 YZLMXRVXEZSDFX-KXBFYZLASA-N 394.475 3.763 0 40 GHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1 8166592 NKWIGIURVSLRBT-CXUHLZMHSA-N 386.404 3.509 0 40 GHAB COc1ccc(-c2nnc(N)o2)cc1OCc1cccc(Br)c1 226322320 NWDAOVCVHCOFIH-UHFFFAOYSA-N 376.210 3.669 0 40 GHAB CC[C@H](CC(=O)N1CCC(O)(Cn2ccnc2C)CC1)c1c[nH]c2ccccc12 12143528 LGFGYVMYVQKZFM-GOSISDBHSA-N 394.519 3.610 0 40 GHAB Cn1cc([C@H]2CN(C(=O)NCCc3ccc(C4CCCCC4)cc3)CCO2)cn1 661524364 OGGYICDZHHMLLG-JOCHJYFZSA-N 396.535 3.793 0 40 GHAB COc1ccc(OC)c([C@H](O)CN2CCc3onc(-c4cccc(F)c4)c3C2)c1 19551192 CUFFSWODXSHFQG-LJQANCHMSA-N 398.434 3.590 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCc4ncc(Cl)cc4C3)cc2)n1 19574439 ICIXBMUWCVNOMH-UHFFFAOYSA-N 380.879 3.795 0 40 GHAB COCCNC(=S)Nc1c(C(=O)OC)sc2c1CC[C@H](C(C)(C)C)C2 3448140 XQSVJAWYASSYDE-NSHDSACASA-N 384.567 3.619 0 40 GHAB Cc1cc(Cl)ccc1OCCCC(=O)Nn1c(C)nc2ccccc2c1=O 3454433 VAKIFLRKMSNWEA-UHFFFAOYSA-N 385.851 3.596 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(OC)c1 15540681 XSGQYEWWQYKEBA-VQFGERMISA-N 395.455 3.852 0 40 GHAB COc1ccc(-n2nc3c(c2NC(=O)CCC2CCCC2)C[S@](=O)C3)cc1 4105640 IYDHDSVXDQZQAQ-HHHXNRCGSA-N 387.505 3.552 0 40 GHAB Cc1cccc(-c2nc3scc(CCNC(=O)c4ccc(F)cc4)n3n2)c1 4374703 YFLMGWHINASQLP-UHFFFAOYSA-N 380.448 3.878 0 40 GHAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 9168961 WMNYLWWLFDYDRY-UHFFFAOYSA-N 388.489 3.968 0 40 GHAB O=C(Cc1ccc2c(c1)OCO2)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 9521502 CMNRDUOVBIKPPG-UHFFFAOYSA-N 392.198 3.953 0 40 GHAB O=S(=O)(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1ccccc1 22767457 RXBMQLYABNGZAC-OAQYLSRUSA-N 398.553 3.826 0 40 GHAB CN1CCN([C@H](CNC(=O)c2ccc3ccccc3c2)c2ccsc2)CC1 22765631 PHPSGBXYSXMGAG-OAQYLSRUSA-N 379.529 3.620 0 40 GHAB CC(C)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 23181425 RWGLNYQBGNIIPC-UZLBHIALSA-N 389.540 3.911 0 40 GHAB Cn1cc([C@H]2CN(C(=O)Cc3cn(C)c4ccccc34)Cc3ccccc32)cn1 585408894 KTUJQKSPCGWOGS-JOCHJYFZSA-N 384.483 3.629 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 585147941 JKSXZBLETWDJOS-KRWDZBQOSA-N 391.876 3.920 0 40 GHAB COc1ccc(CN(C)C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1 40129476 BMJXYUIDVXJKCB-UHFFFAOYSA-N 399.472 3.507 0 40 GHAB O=S(=O)(c1ccc(CN2CCC[C@H]2CCc2ccccc2)o1)N1CCCC1 40153651 VVOAWFBEVAZSIS-IBGZPJMESA-N 388.533 3.661 0 40 GHAB O=C(NC[C@H]1COc2ccccc2O1)c1cccnc1Sc1ccccc1 31044056 HDIRPIWTIZREJS-HNNXBMFYSA-N 378.453 3.803 0 40 GHAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCN(c2nsc3ccccc23)CC1 32070528 ZNAJWHMYZTZKMG-IBGZPJMESA-N 392.484 3.726 0 40 GHAB Cc1ccn2c(NC(=O)CCN3CCSC3=O)c(-c3ccc(F)cc3)nc2c1 32787318 KPVDXWQQISLASO-UHFFFAOYSA-N 398.463 3.946 0 40 GHAB COc1cccc2sc(NC(=O)CCc3c(C)nc4cc(C)nn4c3C)nc12 32739321 RWVWKVSOISZQHN-UHFFFAOYSA-N 395.488 3.844 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)NCCSc1ccccc1)c1ccc(F)cc1 32802338 UHBLWXFGCYSZKT-SFHVURJKSA-N 384.480 3.740 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCc4ccccc43)CCCC2)c1 32856025 BODZIFSAFRJLEA-UHFFFAOYSA-N 383.513 3.979 0 40 GHAB COc1cccc(-c2nc(C(=O)N3CCc4ccc(O)cc4C3)cs2)c1OC 41662729 DFOUZQMAVTXTEN-UHFFFAOYSA-N 396.468 3.731 0 40 GHAB O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)C1(c2ccc(F)cc2)CCCC1 42039447 WYGXPCNKZAPNQN-SFHVURJKSA-N 387.476 3.672 0 40 GHAB Cc1cccc(NC(=O)Cn2nnc(-c3ccc(OCC(C)C)cc3)n2)c1C 878233 ZPTRGDFZNAFVNV-UHFFFAOYSA-N 379.464 3.630 0 40 GHAB CCN1CCC[C@H]1CN[C@@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 22919301 NZUXQGPYVILEFM-FCHUYYIVSA-N 379.504 3.643 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccnc1 1361263 ISOSRKKADYGPQH-UHFFFAOYSA-N 395.488 3.684 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C 78934666 QPPODUQULFVCKV-ZFWWWQNUSA-N 382.888 3.623 0 40 GHAB CS[C@@H]1CC[C@H](N(C)C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C1 78934061 RXOGAPUHVVBRAB-VQTJNVASSA-N 388.577 3.600 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCCCC2)sc2c1CC[C@@H](C)C2 3345259 YNLGXYAZMOHRJF-ZIAGYGMSSA-N 378.538 3.863 0 40 GHAB CCC[C@H](NC(=O)[C@@H](C)Nc1ccc(NS(C)(=O)=O)cc1)c1ccccc1 23628700 IUPYBNNPBWTWPD-BEFAXECRSA-N 389.521 3.516 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)NC1(C(F)(F)F)Oc2ccccc2O1 3661502 OAKWQAGVYFMAMK-UHFFFAOYSA-N 391.349 3.697 0 40 GHAB CCCCOc1ccc(-c2nnn(CC(=O)Nc3cccc(C)c3C)n2)cc1 4130060 GXGRJOPUJGRTGD-UHFFFAOYSA-N 379.464 3.775 0 40 GHAB COc1ccc(OC)c([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)c1 4909316 BAJDMQOQGUUMBY-IBGZPJMESA-N 383.835 3.922 0 40 GHAB Cc1nnc(S/C(=C/c2cc(Br)ccc2OC(C)C)C(=O)O)[nH]1 6588202 UFXNGOUUYYUSII-NTUHNPAUSA-N 398.282 3.881 0 40 GHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1c(O)ccc2ccccc12 6954649 BXJJOGCLLKALLO-UHFFFAOYSA-N 382.441 3.689 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)CCc1ccccc1 7375148 CRUYCNRIJTWKRN-CYBMUJFWSA-N 398.322 3.757 0 40 GHAB C[C@@H](NC(=O)[C@]1(C)CC1(Br)Br)[C@@H]1C[C@@H]2CC[C@@H]1C2 101986681 NAIUYHATLLRLEU-YFVNTRNASA-N 379.136 3.823 0 40 GHAB O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 101043386 KKIHAPRDPGVXAB-HIFRSBDPSA-N 395.629 3.939 0 40 GHAB NC(=O)C1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 26535279 UBRWWUYHNCVJLU-UHFFFAOYSA-N 376.378 3.710 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 61997408 CGUHFWWNNYWVGW-SFHVURJKSA-N 397.475 3.937 0 40 GHAB COc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 57486573 XLWIQNPOSSWVPH-UHFFFAOYSA-N 392.390 3.992 0 40 GHAB CCCCSC(Nc1ccc(C)c(C)c1)=C1C(=O)N(C)C(=O)N(C)C1=O 9974101 LZBWLWJLVZGVOE-UHFFFAOYSA-N 375.494 3.511 0 40 GHAB c1cc(CN2CCN(c3ncnc4sc5c(c34)CCCCC5)CC2)ccn1 58170515 PVEIKQKNFXUCQO-UHFFFAOYSA-N 379.533 3.677 0 40 GHAB COCCn1c(S[C@H](C)C(=O)c2ccc(OC)c(OC)c2)nc(C)c1C 58197363 JNCVQQCGCAIXKG-CQSZACIVSA-N 378.494 3.527 0 40 GHAB NC(=O)c1cn(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c2ccccc12 58163458 NYPMNSQCMTXIHO-JOCHJYFZSA-N 397.478 3.840 0 40 GHAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CCCC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C 118924322 YDJCFFHDEFBLPE-OAQGBNKUSA-N 390.520 3.929 0 40 GHAB CC1(C)Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)NC3CCCCC3)cc2O1 58278711 WLFXYDCJLIWAJD-INIZCTEOSA-N 387.480 3.639 0 40 GHAB CC(=O)c1ccc(N2CCC(OC(=O)[C@H](C(C)C)N3CCCCC3)CC2)cc1 95943892 BUESDTQAHHWRML-QFIPXVFZSA-N 386.536 3.912 0 40 GHAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cc3ccccc3[nH]2)C[C@@H](C)O1 27986146 KGNJDBRHRMJBQL-GASCZTMLSA-N 377.444 3.670 0 40 GHAB COc1cccc(NC(=O)COc2ccc(C(=O)Nc3nc(C)cs3)cc2)c1 10554617 QTNPTLCWLUHJJE-UHFFFAOYSA-N 397.456 3.730 0 40 GHAB Cc1nc2cc(C(=O)N3CCN(Cc4ccccc4F)C[C@@H]3C(C)C)ccc2[nH]1 57730672 MOMRBTIDUSIYNT-JOCHJYFZSA-N 394.494 3.993 0 40 GHAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2ON=C(c3ccccc3Cl)[C@@H]2C1=O 101359180 YQFQEEHBPLXGRA-HOCLYGCPSA-N 375.211 3.594 0 40 GHAB O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@H]1COc2ccccc2O1 12788856 PTFKOOUQSVEVOE-YADHBBJMSA-N 385.423 3.609 0 40 GHAB Cc1ccc(N2CCN(C[C@H](O)Cn3c(C)c(C)c4cc(F)ccc43)CC2)cc1 28297170 GWLZEUJBGWJEAR-QFIPXVFZSA-N 395.522 3.889 0 40 GHAB COc1cccc([C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)c1 12765324 PQEPLQXBBGOZBU-QGZVFWFLSA-N 396.306 3.984 0 40 GHAB O=S(=O)(NCc1ccccc1Cn1cccn1)c1cc(Cl)ccc1Cl 10959016 GJBITAIKSYOJBC-UHFFFAOYSA-N 396.299 3.717 0 40 GHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 102093725 GVNXWDVZBFGYFM-JVTHYKSUSA-N 389.451 3.973 0 40 GHAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc(C(F)(F)F)cc1 36593087 UIWHGJUNHLXYRZ-OAHLLOKOSA-N 391.349 3.824 0 40 GHAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C(=O)NC2(CCCCC2)C1=O 3340624 HXHZHXLDGJAFEQ-SNVBAGLBSA-N 384.263 3.575 0 40 GHAB Cc1ccc(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)cc1Cl 2423572 GGJAIDSZPKKTNK-UHFFFAOYSA-N 379.847 3.657 0 40 GHAB C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc2c(c1)CCC2 48359104 VRTWHGQZKSZSFF-SNVBAGLBSA-N 393.306 3.756 0 40 GHAB O=C1c2ccccc2N[C@H](c2cn3ccccc3n2)N1c1ccc2c(c1)OCO2 48367219 XJWQBWMTTLEDHB-NRFANRHFSA-N 384.395 3.834 0 40 GHAB O=C(NO[C@H]1CCCCO1)c1csc(-c2cc(Br)cs2)n1 60333360 RZNWVDCUGLZBMR-NSHDSACASA-N 389.296 3.822 0 40 GHAB CCOc1ccc(C(C)=O)cc1COc1ncnc2c1cnn2-c1ccccc1 2632165 RDFHIUKFWAEOBE-UHFFFAOYSA-N 388.427 3.996 0 40 GHAB Cc1csc2nc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)cc(=O)n12 12818566 STWAOYSCGOOZJX-UHFFFAOYSA-N 397.500 3.738 0 40 GHAB O=C(CSc1nnnn1C1CC1)N1c2ccccc2CCc2ccccc21 12857085 GQESQSKVGLLTAZ-UHFFFAOYSA-N 377.473 3.564 0 40 GHAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Br 12860998 NPDHMMGTCBKHAK-UHFFFAOYSA-N 390.642 3.602 0 40 GHAB Cc1cc2nnc(SCC(=O)Nc3ccc(Cl)cn3)n2c2ccccc12 3495857 ACOJQKUQAZJJHF-UHFFFAOYSA-N 383.864 3.970 0 40 GHAB O=C(Nc1ccnn1Cc1ccccc1Br)[C@@H]1Cc2ccccc2O1 12939578 RDAZCWCUWXVYQB-KRWDZBQOSA-N 398.260 3.636 0 40 GHAB COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1ccc(F)cc1F 12905185 HLVJRJUNQNFVCK-INIZCTEOSA-N 378.400 3.740 0 40 GHAB CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 12922217 PKJLXEKCIYUDPK-UHFFFAOYSA-N 376.338 3.937 0 40 GHAB Cc1[nH]c2ccc(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)cc2c1C 22024325 IUCXNEMGMBPFJS-UHFFFAOYSA-N 387.365 3.776 0 40 GHAB CC(C)n1ncc2cc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)cnc21 13022982 PLEIZKCAOHIDPC-AWEZNQCLSA-N 397.866 3.657 0 40 GHAB COc1cc(-c2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc(OC)c1OC 13482155 SXKRIOMRSMIPCS-UHFFFAOYSA-N 393.399 3.579 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2sc(NC3CCCCC3)nc2C)CC1 71326716 SRABUZYEWKGZCF-UHFFFAOYSA-N 394.541 3.547 0 40 GHAB C[C@@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(F)cc1 22526133 LDRMNMMCAQIZII-CHWSQXEVSA-N 398.887 3.511 0 40 GHAB O=C(Cc1cccc2ccccc12)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 4454689 YIRHKXYLNAQJJC-NRFANRHFSA-N 388.467 3.930 0 40 GHAB CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OC)c(OC)c1 5352494 CMBUTBNHCUKSRM-UHFFFAOYSA-N 383.404 3.795 0 40 GHAB COc1cc2cc(C(=O)NCCn3ccc4ccccc43)n(C)c2cc1OC 96114433 WNASBUURZGWLSD-UHFFFAOYSA-N 377.444 3.580 0 40 GHAB biogenic CC(C)n1nccc1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 6550016 AEOMAKLOJIJARU-UHFFFAOYSA-N 382.493 3.653 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@@H](C)C3 6540773 DYRFLNZLUPBWPE-VXGBXAGGSA-N 393.578 3.610 0 40 GHAB CCCCNC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 4689707 ISPPFJSIAULEMF-MRXNPFEDSA-N 390.505 3.550 0 40 GHAB Cc1cccc(C)c1OCCOC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 6602393 IWARLOXSVTVCQQ-UHFFFAOYSA-N 398.484 3.565 0 40 GHAB CCOC(=O)[C@@H]1CCCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)C1 67284754 DYOUQROSGKHHKG-OAHLLOKOSA-N 384.867 3.829 0 40 GHAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 7052116 FKXLFNRCIRKAIP-OAHLLOKOSA-N 399.516 3.799 0 40 GHAB COc1ccccc1NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O 7023857 YEJSKIFLPMYYHN-UHFFFAOYSA-N 391.452 3.772 0 40 GHAB CC(=O)NCc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)s1 7273831 AQXLZFLYGBMKNO-UHFFFAOYSA-N 385.514 3.997 0 40 GHAB Cc1ccc(C(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)cc1F 15602589 NYGBTKJTFROAIE-UHFFFAOYSA-N 379.416 3.956 0 40 GHAB Cn1cccc1-c1nnc(C2(c3ccc(Br)cc3)CCOCC2)o1 71889877 MEIBDNXQEACNFJ-UHFFFAOYSA-N 388.265 3.934 0 40 GHAB O=C(CSCc1cc(Cl)c2c(c1)OCCO2)NCc1ccc(F)cc1 7849716 UCOHVINMHAFBAY-UHFFFAOYSA-N 381.856 3.800 0 40 GHAB CCOC(=O)[C@@H](NC(=O)c1ccccc1F)c1c(C)nn(-c2ccccc2)c1C 7984543 UBNYOSJMGTXGOH-FQEVSTJZSA-N 395.434 3.662 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1c[nH]c2ccccc12 7981585 MRCPVAKBCGCBAI-UHFFFAOYSA-N 394.862 3.649 0 40 GHAB COC(=O)[C@@]1(NCc2nc3ccccc3s2)CCCN(Cc2ccccc2)C1 95454701 ATASUDSGLCGHQS-JOCHJYFZSA-N 395.528 3.594 0 40 GHAB CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(Cc2nc(C(C)C)no2)CC1 69843280 XEBJRTMYNYBELI-SFHVURJKSA-N 391.560 3.768 0 40 GHAB COc1ccc(CNC(=O)c2cn(C(C)C)c(=O)c3ccccc23)cc1OC 70666612 MLQCMHZMZZKFLQ-UHFFFAOYSA-N 380.444 3.530 0 40 GHAB biogenic Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCc1ccc2c(c1)OCO2 22246009 HRCGIEDIQNBKBZ-UHFFFAOYSA-N 385.420 3.993 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1Cc1nnc(C(C)C)o1 95999856 LASWOELFGHSFLE-IBGZPJMESA-N 395.507 3.628 0 40 GHAB CC(=O)Nc1nc(CN2CCC[C@H]2[C@@H]2CCCN2Cc2ccccc2)cs1 89265668 KMSPXAHGCLQCDC-PMACEKPBSA-N 384.549 3.731 0 40 GHAB O=C1S/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1CC1CCCCC1 409138776 HWCGUURGULESLD-FOWTUZBSSA-N 376.478 3.733 0 40 GHAB COc1ccc(CCNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1OC 26676793 OENSUKKKAQXNSI-UHFFFAOYSA-N 398.434 3.789 0 40 GHAB Cc1cc2nc(SCC(=O)Nc3cccc(C)c3C)n(C(C)C)c(=O)c2[nH]1 67236093 CMOWZDFPXWODIN-UHFFFAOYSA-N 384.505 3.962 0 40 GHAB CCOC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 22540761 JTKUWFBQZPETNE-MRXNPFEDSA-N 382.460 3.604 0 40 GHAB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccccc2F)cc1 408969816 VCSIEGCLGKBGRW-UHFFFAOYSA-N 382.391 3.704 0 40 GHAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(Cn2ccnc2)cc1 38831762 CWIVQUCZXIXLSY-UHFFFAOYSA-N 388.515 3.847 0 40 GHAB Cc1ccccc1-c1ccc(CN(Cc2cn(C)c(=O)n(C)c2=O)C(C)C)s1 512532925 XBKACRAMZSCADC-UHFFFAOYSA-N 397.544 3.532 0 40 GHAB CC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 38756187 DSOLJXAZQWHQAI-CYBMUJFWSA-N 380.897 3.978 0 40 GHAB Clc1ccc(-c2nnc(-c3cc4c(N5CCOCC5)ncnc4s3)o2)cc1 216607424 GXWPDBORWZBGRA-UHFFFAOYSA-N 399.863 3.898 0 40 GHAB Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)[C@@H]2CCC(=O)c3cccn32)c1 562511108 HNGFVAYTMZROPC-INIZCTEOSA-N 382.851 3.924 0 40 GHAB COc1ccc2cc(C(=O)NCCN3c4ccccc4C[C@@H]3C)c(C)nc2c1 72045540 JGZCZXBNKSKEIN-HNNXBMFYSA-N 375.472 3.733 0 40 GHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1nc(N2CCCC2)ncc1Cl 44400904 SZHDSMNOMRTIQF-CQSZACIVSA-N 376.913 3.941 0 40 GHAB Cc1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c(C)c1 225950520 OQMYHWNNOOJNSW-KRWDZBQOSA-N 380.897 3.576 0 40 GHAB COc1cccc(C(=O)Nc2nn3c(-c4ccc(C)c(F)c4)nnc3s2)c1 41108771 PXDMBMUANVCHFZ-UHFFFAOYSA-N 383.408 3.561 0 40 GHAB Cc1cc(C)cc(N(Cc2ccccc2)S(=O)(=O)c2cccn3cnnc23)c1 49404946 PXVFATYXGJCDNO-UHFFFAOYSA-N 392.484 3.742 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)s2)cc1 80329173 JOLXPCXTAYUSQX-IIBYNOLFSA-N 386.517 3.894 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)Cc3ccc(Cl)cc3F)n2)c1 224449423 XFGQVMHFIKEVSH-UHFFFAOYSA-N 389.814 3.739 0 40 GHAB CC[C@@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C)cc1 223409467 GQDDRUKMJJJZQG-CQSZACIVSA-N 376.478 3.793 0 40 GHAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc2ccccc2c1 225095699 AUSWVGSPTBTEPN-OAHLLOKOSA-N 398.484 3.642 0 40 GHAB CCSc1ccccc1C(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225779523 KSUKRFBNEBLDDI-UHFFFAOYSA-N 399.903 3.658 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C 224224953 HSXZNPLJKXZHTQ-FQEVSTJZSA-N 382.504 3.626 0 40 GHAB COc1ccc(NC(=O)[C@@]2(C)Cc3ccc(C)cc3C(=O)O2)c2ncccc12 1585292228 XNBIJVIMDJMQIS-JOCHJYFZSA-N 376.412 3.662 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccccc1 225682366 SRHCNZQBILRQCN-LJQANCHMSA-N 398.572 3.904 0 40 GHAB Cc1cc(Br)ccc1NC(=O)c1ccnc(OC2CCOCC2)c1 239611702 FBBKSWMPOIBDGL-UHFFFAOYSA-N 391.265 3.963 0 40 GHAB CCC(=O)O[C@H](O[C@H](C(=O)O)[P@@H](=O)CCCCc1ccccc1)C(C)C 95830681 LIEAASLUJOIEEI-MOPGFXCFSA-N 384.409 3.932 0 40 GHAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)CC3CC3)CC2)Oc2ccccc21 96243281 RPCKGKVCKJDYOG-LJQANCHMSA-N 398.547 3.973 0 40 GHAB CC(C)CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCCC1)c1ccccc1O2 96242966 XXQFCPBXPJRTAU-LJQANCHMSA-N 398.547 3.973 0 40 GHAB O=C(c1cccnc1)N1CCC(c2nc3ccc(-c4cccs4)cn3n2)CC1 96155794 OGJFWIBETUGKMY-UHFFFAOYSA-N 389.484 3.873 0 40 GHAB O=C(NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)c1ccc2cc[nH]c2c1 98212924 PMUOZRWWKPPDON-UHFFFAOYSA-N 385.471 3.957 0 40 GHAB Cc1cc(C(=O)NC[C@@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)on1 257209914 BSJZEKNPOXEPMY-XMFZQDBWSA-N 398.503 3.595 0 40 GHAB O=C(c1cccn2cc(-c3ccc(F)cc3)nc12)N1CCN(C2CCCC2)CC1 257317426 VJRUWTKYSKQCBT-UHFFFAOYSA-N 392.478 3.841 0 40 GHAB COc1ccc(C[C@H](C)CNC(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1OC 623823629 CTNFZGRHKKCKSZ-RRFJBIMHSA-N 384.467 3.815 0 40 GHAB O=C1NCc2c(NCc3c[nH]nc3-c3ccc(Br)s3)cccc21 1662399471 JEYLTEIRLLQUGA-UHFFFAOYSA-N 389.278 3.756 0 40 GHAB CC(C)c1n[nH]c(CNC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)n1 654577809 CNIYRTBCCNVCTD-UHFFFAOYSA-N 391.466 3.761 0 40 GHAB O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)N[C@]12CCC[C@H]1C2 666172694 OGRVFVBZHWRNKR-KSSFIOAISA-N 389.297 3.952 0 40 GHAB CCOc1ccc(C)cc1S(=O)(=O)NCCCn1ccnc1-c1ccccc1 90583394 CAIQPSKFNSUDRT-UHFFFAOYSA-N 399.516 3.626 0 40 GHAB CCOc1ccccc1NC(=O)Cn1c(-c2ccccc2)nc(C)c(Cl)c1=O 90610151 ADBBCVKQLMBLIZ-UHFFFAOYSA-N 397.862 3.910 0 40 GHAB Cc1ccccc1OCC(=O)N1CCC[C@@]12CCCN(c1ncncc1C)CC2 585100052 DICMJLRZMMCDAO-HSZRJFAPSA-N 394.519 3.524 0 40 GHAB Cc1ccc(OCCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1C 44775844 HTVIUGGCBBRBHJ-UHFFFAOYSA-N 377.488 3.976 0 40 GHAB COc1cccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@](O)(C(F)(F)F)C2)c1 5101090 RZGOFRUPVRFFNF-QGZVFWFLSA-N 398.768 3.850 0 40 GHAB CCc1nc(N2CCCC2)ncc1C(=O)N[C@H](c1ccccc1)c1cccnc1 12148254 MAHXEOUXJRNNRO-OAQYLSRUSA-N 387.487 3.554 0 40 GHAB O=C(Cc1cccc(Cl)c1)N1CCC(c2noc(-c3cccnc3)n2)CC1 12225027 WALYSBPTUVBDMP-UHFFFAOYSA-N 382.851 3.734 0 40 GHAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@H]3NC(=O)CC(C)(C)C)C[C@@H](C)O1 12240652 WYPQXRTVTDZDGK-HLLBOEOZSA-N 388.556 3.656 0 40 GHAB CCCc1cc(OC(=O)c2ccc(OC)cc2)n(-c2nc3ccccc3[nH]2)n1 13639590 RMIYFMGJNQZXAW-UHFFFAOYSA-N 376.416 3.929 0 40 GHAB O=C(Cc1cccc(F)c1)N1CCC[C@@H](c2ccnc(-c3ccncc3)n2)C1 19293708 ZODTYFDMNOGREX-GOSISDBHSA-N 376.435 3.626 0 40 GHAB COc1ccc(-c2ncc(CN(Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 19558574 VFSVZIWRTCSHII-JOCHJYFZSA-N 390.487 3.728 0 40 GHAB Cc1nc(CN(C)Cc2ccccc2F)nc2c1CCC(=O)N2CCC(C)C 19698078 UHKNLZZFSGKSGP-UHFFFAOYSA-N 384.499 3.881 0 40 GHAB CNc1cc(CN(C)Cc2ccccc2OCC(C)C)nc(C2CCNCC2)n1 19710173 GBUGNJAJMHVFNZ-UHFFFAOYSA-N 397.567 3.652 0 40 GHAB COc1ccc(NC2=N[C@@H](c3ccc(F)cc3)N3C(O)=CC(C)=NC3=N2)cc1 19921732 FIQPGKOCHAKNHJ-GOSISDBHSA-N 379.395 3.847 0 40 GHAB CC(C)c1ccc(OCC(=O)NC(=S)Nc2cccc(/C=C/C(=O)O)c2)cc1 226323279 LHKOWILOYWIOLP-IZZDOVSWSA-N 398.484 3.800 0 40 GHAB O=C(CCn1c(C(F)F)cc2cccnc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 19347130 XUIHIJAQYZPFBY-QRWLVFNGSA-N 377.435 3.518 0 40 GHAB O=C(NCc1ccccc1-c1ccc(Cl)cc1)N1CC[C@@H](c2nc[nH]n2)C1 573559229 PMYYXRWHKLWPCX-MRXNPFEDSA-N 381.867 3.824 0 40 GHAB CC(=O)c1ccccc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 3313899 CXONIIQJGCMAHR-UHFFFAOYSA-N 378.428 3.875 0 40 GHAB Cc1ccccc1-n1c(C)nnc1SCC(=O)N1CCc2ccccc2C1 3424764 VTDDQSICWBZZDT-UHFFFAOYSA-N 378.501 3.561 0 40 GHAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc(Cl)cc3C)c(C)n2n1 5278653 RHFJZMHATZHTKY-UHFFFAOYSA-N 389.912 3.996 0 40 GHAB CC(=O)c1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1 6313310 KMROISVHXVIBFB-UHFFFAOYSA-N 390.205 3.731 0 40 GHAB O=C(NC[C@]1(O)CSCc2ccccc21)Nc1cccc(C(F)(F)F)c1 2087168277 KGZLTXHXPVDWHT-KRWDZBQOSA-N 382.407 3.962 0 40 GHAB Cc1ccc(-n2nnc3c(=O)n(Cc4ccc(Cl)cc4Cl)cnc32)cc1 4266780 LYICTCQLAJGWCP-UHFFFAOYSA-N 386.242 3.641 0 40 GHAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(Cl)c1C 7459172 MQTLZSGHZYRSNY-UHFFFAOYSA-N 387.798 3.594 0 40 GHAB CSc1cccc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3)n2)c1 23138037 NZJLIJBKTLCDSH-UHFFFAOYSA-N 397.525 3.965 0 40 GHAB O=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1ccccc1Cl 23127708 UQAQURJLQQBUAE-UHFFFAOYSA-N 384.954 3.592 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)N[C@H]1CCN(c2nccs2)C1 206815870 DCSFYSOSOOXEDL-SFHVURJKSA-N 378.501 3.811 0 40 GHAB COc1ccc(CNC(=O)NC[C@H](c2cc3ccccc3o2)N(C)C)cc1OC 575620743 LWKFPOJSYKPSBA-QGZVFWFLSA-N 397.475 3.552 0 40 GHAB COc1cccc([C@@H](CNC(=O)Cc2c(C)[nH]c3ccc(F)cc23)N(C)C)c1 40070123 DPUYVVRINVUABY-OAQYLSRUSA-N 383.467 3.586 0 40 GHAB Brc1ccc(C2=C[C@@H](c3ccc4c(c3)OCO4)n3ncnc3N2)cc1 100718742 RGUNEKOHIXJXAV-HNNXBMFYSA-N 397.232 3.825 0 40 GHAB COc1ccccc1C(=O)OCc1nc(-c2ccc(Br)cc2)no1 51315191 TUHCPZAHKSEHSG-UHFFFAOYSA-N 389.205 3.865 0 40 GHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102151424 WLRKQGSQHHILMT-STEAMIEHSA-N 381.472 3.946 0 40 GHAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cnn2cccnc12 32754688 YAZMPEHILSZOFK-GOSISDBHSA-N 381.439 3.773 0 40 GHAB Cn1ccnc1[C@H](NC(=O)NCCSc1ccccc1)c1ccc(F)cc1 32802340 UHBLWXFGCYSZKT-GOSISDBHSA-N 384.480 3.740 0 40 GHAB C[C@@H](OC(=O)c1cccnc1SC(F)F)C(=O)N1CCCc2ccccc21 32860291 HLRZUJIZCNLOTI-GFCCVEGCSA-N 392.427 3.921 0 40 GHAB CC(C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)Nc1ccccc1 32902232 NHSWNQAQTBZVNV-RDTXWAMCSA-N 383.517 3.986 0 40 GHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cnc2ccccc2n1 22487672 HRMNVLDLHWVECM-UHFFFAOYSA-N 375.350 3.639 0 40 GHAB O=C(Cc1ccc(Cl)cc1Cl)NCC1(N2CCOCC2)CCCCC1 22462282 ZBMDALAYLCSCBQ-UHFFFAOYSA-N 385.335 3.687 0 40 GHAB Cc1ccc(/C=c2/sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)o1 711365 IHMYVXJFKXBXGU-NTUHNPAUSA-N 378.240 3.574 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3C)CC2)cc1OC 794349 WNJOVJDLLZATKZ-UHFFFAOYSA-N 382.460 3.503 0 40 GHAB COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCCC4)c3N2)c1 884207 VCUQYMPHIATLAO-CVEARBPZSA-N 394.397 3.788 0 40 GHAB COc1ccc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3C)C2=O)c(OC)c1 945239 MCRKJISNYYUNGT-UHFFFAOYSA-N 386.835 3.756 0 40 GHAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCCCC1 1353520 WFUDZTUPYXOAMV-UHFFFAOYSA-N 397.450 3.760 0 40 GHAB O=C(C1CC1)N1CCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1 1377048 RHOXKQAEZDNNEF-UHFFFAOYSA-N 382.533 3.506 0 40 GHAB O=S1(=O)c2ccccc2N[C@H](c2ccc3c(c2)OCO3)N1Cc1ccccc1 1462407 BMTPUCBHMCENCL-NRFANRHFSA-N 394.452 3.731 0 40 GHAB CCc1ccccc1Oc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 2129337 ZZQOACWGLQONLY-UHFFFAOYSA-N 378.428 3.838 0 40 GHAB biogenic Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N3CCCc4ccccc43)cc2)n1 2655035 IKFIGCNVLQJHJG-UHFFFAOYSA-N 389.455 3.625 0 40 GHAB Cc1nc(COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cs1 3414131 RHTMEYXFSFNEJQ-UHFFFAOYSA-N 391.452 3.567 0 40 GHAB O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)c1cc2c(s1)CCC2 3427666 ZICOOAAMOYIYFB-UHFFFAOYSA-N 382.466 3.816 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1F 3483144 MGFWEIKKCMRWCH-UHFFFAOYSA-N 396.374 3.775 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1)C1CCCCC1 3895747 DGCVIXNPVXPQRJ-QFIPXVFZSA-N 378.516 3.653 0 40 GHAB CCOC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CCN(CC)C2 4086897 XZOPLAWXFUBABP-UHFFFAOYSA-N 394.443 3.833 0 40 GHAB O=C1C[C@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]21 4664344 ZJSYXKOHRTZXIW-DZJNRPSUSA-N 386.234 3.953 0 40 GHAB O=C1N2CCSC2=N[C@]1(Nc1nc2ccc(Cl)cc2s1)C(F)(F)F 4686856 NFPTWWHAHSVSCX-LBPRGKRZSA-N 392.815 3.565 0 40 GHAB COc1cccc(NC(=O)c2ccc3c(c2C(=O)c2ccccc2)OCCO3)c1 4770703 UMTOKBVZCWGIKZ-UHFFFAOYSA-N 389.407 3.950 0 40 GHAB CCOC(=O)N1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 4783076 XCWNSEAAXMPCJC-LJQANCHMSA-N 384.501 3.821 0 40 GHAB COCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 4815087 UGUFXNRPRGCOCC-ZWKOTPCHSA-N 382.851 3.645 0 40 GHAB COc1cccc(-n2cnnc2S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)c1 4843594 NPMRCBBKJKYODU-CQSZACIVSA-N 396.472 3.598 0 40 GHAB Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccco2)c1 4964638 GWCXVVFAUIINQQ-KRWDZBQOSA-N 398.488 3.742 0 40 GHAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)o2)no1 4968438 LUTBDCMWTLITLJ-UHFFFAOYSA-N 384.339 3.783 0 40 GHAB CCCCNC(=O)c1c(NC(=O)c2ccc(C)cc2)oc2ccccc2c1=O 5030947 ZHFHIDPOMOCIBT-UHFFFAOYSA-N 378.428 3.884 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2c(F)cccc2s1 5189489 YMYFJLBMUCMIME-UHFFFAOYSA-N 398.868 3.891 0 40 GHAB CCC(=O)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1 5485500 GWFZBQXSUJFTJU-OAHLLOKOSA-N 381.881 3.526 0 40 GHAB OCCOCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 5825608 KJOOLJONGYQQBV-UHFFFAOYSA-N 392.484 3.841 0 40 GHAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)COc1ccccc1Cl 5860045 FJXNTQJADZFDPT-UHFFFAOYSA-N 375.852 3.699 0 40 GHAB COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccccc3F)n2C)c1 6111961 PTXDXMAKEGNUNI-UHFFFAOYSA-N 387.436 3.613 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)N(C)Cc3c(F)cccc3Cl)ccc12 6308807 RIBQLMWUMNATGE-UHFFFAOYSA-N 389.810 3.931 0 40 GHAB Cc1ccc(Nc2nc(COC(=O)c3ccc(-n4cnnn4)cc3)cs2)cc1 6534583 GKMJFZDBXPEFLL-UHFFFAOYSA-N 392.444 3.528 0 40 GHAB Cc1cc(C)cc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)o2)c1 6589114 FVWAWWXKKPKGSD-ZDUSSCGKSA-N 396.472 3.572 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1C 6613889 APOXPKUIBJKKCH-UHFFFAOYSA-N 383.517 3.796 0 40 GHAB COC(=O)c1cc(OC(=O)Cc2c(Cl)cccc2Cl)cc(C(=O)OC)c1 6637722 NZJOJWFHNIWQFC-UHFFFAOYSA-N 397.210 3.715 0 40 GHAB CS(=O)(=O)N1CCCc2cc(C(=O)CSc3ccc(F)c(F)c3)ccc21 7161526 SUZMGPHQRNAPGV-UHFFFAOYSA-N 397.468 3.652 0 40 GHAB O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(Br)s1 7376045 RTIKXOWJBFBUKR-UHFFFAOYSA-N 380.716 3.685 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 7881454 UBXOXBPWKWSHSS-INIZCTEOSA-N 385.847 3.736 0 40 GHAB Cc1ccc(C)c(-c2nn(CC(=O)N3CCCCC3)c(=O)c3ccccc23)c1 8242548 YJMZJNNRQFOLNT-UHFFFAOYSA-N 375.472 3.693 0 40 GHAB CCC[C@@H](OC(=O)CCCC(=O)Nc1nnc(C)s1)C(=O)c1ccccc1 8474307 VIAHLAIRYDVKLC-OAHLLOKOSA-N 389.477 3.550 0 40 GHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O 8945771 KIJSTBRALFURFG-JOCHJYFZSA-N 397.450 3.619 0 40 GHAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 9095012 YUTISZLIILSREH-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB CCCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc12 9096573 AGVLGEGYBGBINM-HSZRJFAPSA-N 389.499 3.948 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 9232080 OISGBVHLDUCXBH-UHFFFAOYSA-N 376.243 3.772 0 40 GHAB O=C1C[C@H](c2nc(-c3ccc4c(c3)OCO4)no2)CN1c1ccc(Cl)cc1 9318038 PEXAKSBBSKEJPT-LBPRGKRZSA-N 383.791 3.639 0 40 GHAB O=C(Nc1nc(-c2ccccn2)cs1)C1CCN(C(=O)c2cccs2)CC1 9657509 KXSDOMVSNGHHHL-UHFFFAOYSA-N 398.513 3.758 0 40 GHAB CN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 10285146 LPVYOIYHPAZRIX-UHFFFAOYSA-N 380.469 3.545 0 40 GHAB Cc1ccccc1CC(=O)N1CCC[C@H](c2nc(O)cc(-c3ccncc3)n2)C1 12256989 CUOQCBSYTHZZMB-IBGZPJMESA-N 388.471 3.501 0 40 GHAB C[C@H](CCc1ccco1)NC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12321098 JFFLPMNJVUMQMU-AEFFLSMTSA-N 393.487 3.751 0 40 GHAB Cc1cccc(OCCCNC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)c1 12397828 ZOOIYYRXPOEYAC-UHFFFAOYSA-N 396.516 3.810 0 40 GHAB COc1cc(OC)cc([C@H](NC(=O)Nc2cccc(C)c2)c2nccn2C)c1 12507644 RJOYMXBSDNRMEK-IBGZPJMESA-N 380.448 3.657 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 12507817 DOAODFKURQHLFL-LJQANCHMSA-N 391.862 3.779 0 40 GHAB O=C(NCCCCOc1ccc(Cl)cc1)NCCc1cn2ccccc2n1 12544626 ONZRLHIWBZHORO-UHFFFAOYSA-N 386.883 3.689 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc2c(c1)CCN2C(C)=O 12565410 CRKGPSPAMNMOQY-LBPRGKRZSA-N 387.867 3.697 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Br)ccc1F 12765452 XLLKNMYFONMPBM-GFCCVEGCSA-N 380.213 3.500 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccc(F)cc1F 12798908 VERPJRACOOTJGM-UHFFFAOYSA-N 397.219 3.794 0 40 GHAB C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1cccs1 12822435 YFLBGEZLTLTDGG-CYBMUJFWSA-N 396.509 3.553 0 40 GHAB COc1cccc(CN(C)C(=O)CN(C)Cc2ccccc2Br)c1 12891437 XWFRDHNAILZZIJ-UHFFFAOYSA-N 391.309 3.548 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccccc2Cl)cc1 12919777 OLDWRKCXZWSNPW-IBGZPJMESA-N 386.879 3.832 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)Cc1csc(-c3ccccc3)n1)CC2 12973720 ANLXXLPFDHGTSX-UHFFFAOYSA-N 394.496 3.955 0 40 GHAB C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 13001686 FOHXKFJKWXIUPD-KRWDZBQOSA-N 398.528 3.803 0 40 GHAB CCOc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)cc1 13116509 RWJJYGOJZYGABX-YHZLUUAOSA-N 396.487 3.534 0 40 GHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@H](NC(N)=O)c1cccs1 14379074 HNZJRCWGNQFPTC-ZDUSSCGKSA-N 385.411 3.525 0 40 GHAB C[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)c1ccc(-n2cncn2)cc1 15584123 PONIFDOYLUZVPX-HNNXBMFYSA-N 386.455 3.922 0 40 GHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)c1ccccn1 19017516 YULVMFQYRPVYNN-NNWRFLSQSA-N 395.478 3.620 0 40 GHAB Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2sc(C)nc2C)on1 19121357 ACEWLYXZFPBCNI-OAHLLOKOSA-N 385.493 3.824 0 40 GHAB CC1CCN([C@H](CNC(=O)c2ccc(Cn3ccnc3)o2)c2ccccc2)CC1 19496809 USVYRBPMRIWRHL-OAQYLSRUSA-N 392.503 3.727 0 40 GHAB O=C(c1cccnc1)N1CCC[C@@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 19703601 QPVLWKRGGMNZAJ-HXUWFJFHSA-N 380.423 3.543 0 40 GHAB Cn1c([C@H]2CCCN(C(=O)c3c[nH]nc3-c3ccccc3)C2)nc2ccccc21 19714649 UZXNEAOEKSLANY-KRWDZBQOSA-N 385.471 3.983 0 40 GHAB Cc1nccn1-c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 20495443 ZPGYJYUWFGHVOM-UHFFFAOYSA-N 396.299 3.966 0 40 GHAB S=c1[nH]nc(Cc2ccc(Cl)cc2)n1-c1ccc(Cn2cncn2)cc1 20738967 CYZILQDUKBIABI-UHFFFAOYSA-N 382.880 3.814 0 40 GHAB OCCN1CCN([C@H]2Cc3cc(Cl)ccc3Sc3c(F)cccc32)CC1 22440944 XIEVOXKEUSGXPC-SFHVURJKSA-N 392.927 3.837 0 40 GHAB CCCCN1C(=O)C[C@H](C(=O)Nc2ccccc2O)[C@H]1c1ccc(OC)cc1 22699104 RHBANXRPENRQEC-LAUBAEHRSA-N 382.460 3.729 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1cccc(NC(=O)C2CC2)c1 24759560 UVTJEAWHDNSDST-UHFFFAOYSA-N 389.249 3.815 0 40 GHAB CCc1c(C(=O)N(C)Cc2ccc(C(C)C)cc2)cnn1-c1ccc(OC)nn1 24858578 NLJGLONREGQAHS-UHFFFAOYSA-N 393.491 3.629 0 40 GHAB COc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1OC 24931462 UBKFULMDHYCPKU-LJQANCHMSA-N 391.471 3.756 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC[C@@H]3c3ccncc3)C2)cc1 25094440 WOYHFVIIKYKEOX-NHCUHLMSSA-N 377.488 3.606 0 40 GHAB NS(=O)(=O)c1ccc(NC(=O)/C=C/c2sc3ccccc3c2Cl)cc1 27672995 UAYIVNFKKIPTRD-MDZDMXLPSA-N 392.889 3.854 0 40 GHAB COc1ccccc1CNC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1 28304355 AKSPCXJCTBUJPW-UHFFFAOYSA-N 381.384 3.526 0 40 GHAB CN(Cc1coc(-c2ccc(Cl)cc2)n1)Cc1nc2ccccc2c(=O)[nH]1 31083654 MIBKTAQAQLFDNF-UHFFFAOYSA-N 380.835 3.864 0 40 GHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl 32610351 WOUODCRKTKJBMK-CHWSQXEVSA-N 394.258 3.844 0 40 GHAB CCCc1nnc(S)n1CC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 32914540 NAYFKHVYEHFHDN-MRXNPFEDSA-N 394.544 3.856 0 40 GHAB Cc1cc(NC(=O)c2sc3nc(C)nc(C)c3c2N)n(-c2ccc(F)cc2)n1 32931807 FRXVPXHSNRZGSZ-UHFFFAOYSA-N 396.451 3.776 0 40 GHAB COc1ccc2[nH]c(CSCC(=O)Nc3cc(C)ccc3OC)cc(=O)c2c1 33064234 CAJJVMNTHRFFKU-UHFFFAOYSA-N 398.484 3.726 0 40 GHAB CC(C)Oc1ccc(-c2noc(-c3nn(-c4cccc(F)c4)ccc3=O)n2)cc1 33300440 IDURRCXSAVHALJ-UHFFFAOYSA-N 392.390 3.876 0 40 GHAB c1ccc(-c2cc(NCCN3CCOCC3)n3ncc(-c4ccccc4)c3n2)cc1 33589635 YQDVTIRTKDWEGF-UHFFFAOYSA-N 399.498 3.807 0 40 GHAB O=C(O)c1ccc2c([C@@H](C(=O)O)N3CCCCC3)cn(Cc3ccccc3)c2c1 36367274 HYEJLFUIWCKHTJ-NRFANRHFSA-N 392.455 3.999 0 40 GHAB Sc1nnc(CSc2ccc(Br)cc2)n1C[C@@H]1CCCO1 36396601 MCCVSKHWLNYCTH-NSHDSACASA-N 386.340 3.801 0 40 GHAB Cc1cc(C)n(-c2ccc(NC(=O)c3cc(C4CC4)nc4c3cnn4C)cc2)n1 36616834 SPIOAOHETVZQSG-UHFFFAOYSA-N 386.459 3.901 0 40 GHAB C=C1c2ccccc2C(=O)N1CCC(=O)NNc1ccc(Cl)c(Cl)c1 40042718 WGLQPVNMZDOYGS-UHFFFAOYSA-N 376.243 3.953 0 40 GHAB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(C(F)(F)F)cc1 40478723 AUXYPRDAVWMSGA-UHFFFAOYSA-N 375.350 3.616 0 40 GHAB CC(C)(C)c1nc(-c2ccc(NC(=O)C3CCN(C(=O)C4CC4)CC3)cc2)no1 48311903 KDFXIVBZCMDVGQ-UHFFFAOYSA-N 396.491 3.621 0 40 GHAB Cc1nc([C@@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)cs1 48366892 GYTRDCUXLMLAQG-OAQYLSRUSA-N 379.485 3.661 0 40 GHAB Cc1ccc(C2=CCN(CC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)cc1 53813713 SQHUADLTQHQIKZ-UHFFFAOYSA-N 377.488 3.531 0 40 GHAB O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccc(O)cc1 54360732 FTOWCGPHFUZHNZ-WJDWOHSUSA-N 386.404 3.596 0 40 GHAB O=C(NCCN1C(=O)S/C(=C/c2cccs2)C1=O)C1=C(Cl)CCCC1 54582081 FUWAGKAKMZCFNY-GXDHUFHOSA-N 396.921 3.968 0 40 GHAB COc1cccc(N2C(=O)c3ccccc3N[C@@]23C(=O)N(C)c2ccccc23)c1 58180210 PBWUFYYYELKTPA-HSZRJFAPSA-N 385.423 3.597 0 40 GHAB CC1(C)CC[C@@H](NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c2ccccc21 58217623 DQCIHFQBIUSBGY-LJQANCHMSA-N 376.456 3.883 0 40 GHAB CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3ccc4c(c3)COC4)cc21 64394670 TUKIETQEPXLODA-UHFFFAOYSA-N 380.444 3.741 0 40 GHAB Cc1ccc(CNC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccccc2)CC3=O)cc1 64959107 HDYQTXNGQBZEND-GOSISDBHSA-N 386.451 3.526 0 40 GHAB Cc1noc(Cl)c1CCC(=O)NCc1ccc(-n2ccnc2C)c(F)c1 65534038 PPILLHNSUTXBPY-UHFFFAOYSA-N 376.819 3.519 0 40 GHAB CC(C)(C)C1=NN(CC(=O)N2CCCCC2)C(=O)c2cc3sccc3n2C1 72334550 BXADINNIAQYVRM-UHFFFAOYSA-N 386.521 3.573 0 40 GHAB Oc1cc(C2CCN(Cc3ccc(F)c(F)c3)CC2)nc(-c2ccncc2)n1 72392714 JIUDIFHIOZZWER-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB O=C(O)COc1ccccc1[C@@H]1CC(O)=Nc2c1cnn2Cc1cccs1 72404217 BOEDOXXIKJYALZ-AWEZNQCLSA-N 383.429 3.580 0 40 GHAB Cc1cc(-c2cc(C(=O)NC[C@H]3CCC[C@@H]3O)c3cnn(C(C)C)c3n2)c(C)o1 78902716 NNXBUMZEYKBDJH-QRWLVFNGSA-N 396.491 3.780 0 40 GHAB Cc1nc(NC(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)sc1C 89562669 YRJSRILPGKYPHH-OAHLLOKOSA-N 375.494 3.834 0 40 GHAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cccc3c2O[C@H](C)C(=O)N3)c1 95948374 OPVBIHILWYTGMV-OAHLLOKOSA-N 390.443 3.769 0 40 GHAB Cc1cccc(-c2cc3nc([C@H]4CC(=O)N(Cc5ccccc5)C4)cc(O)n3n2)c1 100775888 NWANRCNMUSHQPX-IBGZPJMESA-N 398.466 3.926 0 40 GHAB CN(C)c1ccc(N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 101163547 QFEHDPVTTNNKLO-INIZCTEOSA-N 377.366 3.515 0 40 GHAB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C 102955144 ZLRKOXGHYJOIQM-VYDXJSESSA-N 388.537 3.742 0 40 GHAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cn1nc(-c2ccc(C)cc2)[nH]c1=S 110570726 WAQONBKFBKDSSV-IKGGRYGDSA-N 386.521 3.680 0 40 GHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(OC)c(OC)c1OC 222963362 QUKMEFQKOFUYLW-KRWDZBQOSA-N 387.476 3.803 0 40 GHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2ccccc2)no1 223156112 PTLQSCRXOJTGHD-HNNXBMFYSA-N 377.444 3.699 0 40 GHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C 223501281 OPWWUBFZEQNQIE-OAQYLSRUSA-N 396.531 3.785 0 40 GHAB C[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O 224008110 JOYIORZXYZAJCD-ZDUSSCGKSA-N 388.961 3.826 0 40 GHAB CC[C@@H](C(=O)NCC1=CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224306003 WSUFVOBJFZNFNX-KRWDZBQOSA-N 384.929 3.501 0 40 GHAB COc1ccc(N2N[C@](C)(c3cccc(Br)c3)NC2=S)cc1 225342485 JJUPINYCEASNOV-MRXNPFEDSA-N 378.295 3.530 0 40 GHAB Cn1cccc1-c1noc(CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)n1 225766347 WRFRIIKYUHIKMH-UHFFFAOYSA-N 399.410 3.813 0 40 GHAB CC[C@H](O)Cn1nc(-c2cc(C(=O)O)ccc2OC)cc1-c1ccc(F)cc1 257219892 DIRRPAPDEZCHAP-INIZCTEOSA-N 384.407 3.834 0 40 GHAB COc1cc(C)ccc1CN1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1 257226490 FKUDTMXCKPHJFY-HXUWFJFHSA-N 391.475 3.506 0 40 GHAB CN1CCN(Cc2cccs2)C[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 306130195 IYZVJYSFPXWCKK-OAQYLSRUSA-N 389.528 3.947 0 40 GHAB Cc1ccc(OCc2nn(CC(=O)N[C@@H]3CCCC[C@H]3C)c(=S)o2)cc1 409157474 MUJRLRCCPVUUFF-GDBMZVCRSA-N 375.494 3.788 0 40 GHAB COc1ccc(C2(NC(=O)c3cc(C)n(Cc4ccccn4)c3C)CC2)cc1 518844637 FPXYZZKWFVGLHB-UHFFFAOYSA-N 375.472 3.976 0 40 GHAB Cc1ccc(-c2cnc(NC(=O)[C@H]3CCO[C@@H]3c3cnn(C)c3)s2)c(C)c1 547685355 RPHHMDMIIWOJTB-FUHWJXTLSA-N 382.489 3.877 0 40 GHAB C[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C[C@@H](C2CC2)O1 547764903 RXSCWJAXSKHHPS-UZLBHIALSA-N 388.471 3.574 0 40 GHAB Cc1cc(F)cc2[nH]c(C(=O)N3CC[C@@]4(CC(=O)c5ccccc5O4)C3)cc12 560756716 BPGFEMIKUKVTAK-JOCHJYFZSA-N 378.403 3.866 0 40 GHAB O=C(O)c1ccc(F)cc1OCC1CCN(C(=O)OCc2ccccc2)CC1 575444441 QJJLYKGLSDJQKB-UHFFFAOYSA-N 387.407 3.952 0 40 GHAB O=C([C@H]1Cc2ccccc2S1)N1CCC(c2nc(-c3ccccn3)no2)CC1 588068703 OIUADFUXTOMIQH-GOSISDBHSA-N 392.484 3.555 0 40 GHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1cccc(F)c1 606440719 UWBPHGRXXLMVTI-CYBMUJFWSA-N 383.491 3.628 0 40 GHAB O=C(Nc1nc2ccccc2s1)N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1 665137398 LAKSTORNDWHCIS-RHSMWYFYSA-N 383.477 3.555 0 40 GHAB O=C(Nc1ccccc1Cl)N1CCC(COc2ccc3nccn3n2)CC1 1888906662 FPEACXXJBRPWGW-UHFFFAOYSA-N 385.855 3.706 0 40 GHAB O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@@H](c2cccc(O)c2)O1 710010 PFXLZTNQSFWTIG-JTHBVZDNSA-N 391.423 3.943 0 40 GHAB N=C1c2ccccc2CN1CC(=O)c1ccc(OC(F)F)cc1OC(F)F 1509194 UKSUTIQVRCLXDP-UHFFFAOYSA-N 382.313 3.913 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)O)c(C)c3cc12 2156074 LWULNBKBMJODHO-KRWDZBQOSA-N 399.443 3.622 0 40 GHAB biogenic CCCOC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2425960 PHCZCQTVNXQXPW-UHFFFAOYSA-N 378.407 3.921 0 40 GHAB CN(C)c1ccc(NC(=O)c2cc3nccc(-c4ccc(F)cc4)n3n2)cc1 2793572 BZQLHWRZVKYXKJ-UHFFFAOYSA-N 375.407 3.854 0 40 GHAB CCCOc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 2801916 ATSXTPFQAGOKOC-XLIONFOSSA-N 380.444 3.654 0 40 GHAB biogenic,in-vitro CC(=O)c1cccc(OCC(=O)Nc2ccc(I)cc2)c1 3500045 FLLSSISYJHFMMZ-UHFFFAOYSA-N 395.196 3.511 0 40 GHAB O=C(C1CCCCC1)N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1 4165586 OTDDCHKLWMIMJW-MRXNPFEDSA-N 398.322 3.673 0 40 GHAB COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 4388386 NPEGLDYUIVAQEI-YLSHDAJPSA-N 397.519 3.777 0 40 GHAB CC(C)c1ccc(OCC(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)cc1 4731377 MGBYQYISROBDBK-UHFFFAOYSA-N 393.472 3.994 0 40 GHAB CC(C)OCCCNC(=S)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 4966951 CJIVMIGXKJMQAQ-UHFFFAOYSA-N 382.957 3.924 0 40 GHAB COc1ccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 5060280 ZRZOZFOULZWCNU-UHFFFAOYSA-N 394.452 3.510 0 40 GHAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NCCc1ccc(Cl)cc1 6063699 KRMCCRHJCMKSKH-UHFFFAOYSA-N 375.896 3.758 0 40 GHAB CCN(CC)c1nc(CC(=O)c2ccccc2)nc(NCc2ccccc2)n1 6891396 SGWXGEZEGACCTP-UHFFFAOYSA-N 375.476 3.755 0 40 GHAB O=C(CSc1nc2sccc2c(=O)n1-c1ccccc1)N1CCCCC1 6907574 XWZNQDIBDIYDLE-UHFFFAOYSA-N 385.514 3.552 0 40 GHAB Cc1cc(C)nc(-n2nc(C)c3cc(C(=O)c4cc(Cl)ccc4O)cnc32)n1 6934963 QDWFJDFSJZTNBO-UHFFFAOYSA-N 393.834 3.726 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1OC 7069064 HYZXQMKBOKXDHR-UHFFFAOYSA-N 395.415 3.528 0 40 GHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(F)cc1C 7615950 AKHBUOULISPFRM-UHFFFAOYSA-N 379.434 3.936 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](C)c2cccc3ccccc23)cc1NC(C)=O 7688132 HQQAPGMFIMTPEI-CQSZACIVSA-N 398.484 3.846 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c1 8058955 DVCZZRVDFNVKQY-GOSISDBHSA-N 375.490 3.846 0 40 GHAB COc1cccc(NC(=O)COc2ccc(C(=S)N3CCCCC3)cc2)c1 8167715 OWYXGMZRCONEIQ-UHFFFAOYSA-N 384.501 3.874 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(SCc3nc4ccccc4o3)nnc12 8704353 JEAWBQNIVQWGND-UHFFFAOYSA-N 391.456 3.888 0 40 GHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(OC)cc3)cc21 8959418 QXKBOGQRNOOSHJ-UHFFFAOYSA-N 382.460 3.648 0 40 GHAB CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)C3CCCCC3)cc21 9170706 RAFQEBXZEWIYRD-UHFFFAOYSA-N 380.510 3.533 0 40 GHAB O=C(NC1CCCCC1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 9198925 QCOXLFQBTDJVED-OAHLLOKOSA-N 387.911 3.661 0 40 GHAB COc1cc(C(=O)Nc2nnc(/C=C/c3ccccc3)s2)cc(OC)c1OC 9286785 NHUFCMRFOHJJSZ-MDZDMXLPSA-N 397.456 3.987 0 40 GHAB O=C(COc1cccc(Br)c1)Nc1ccccc1N1CCCC1=O 9653613 KCIKMJCMZLBFDX-UHFFFAOYSA-N 389.249 3.593 0 40 GHAB CCOc1ccc(S(=O)(=O)NC[C@H](c2cccc3ccccc23)N(C)C)cc1 10335578 HXTDXNPXHSUIDW-JOCHJYFZSA-N 398.528 3.820 0 40 GHAB O=C(OCc1nnnn1Cc1ccccc1)C(c1ccccc1)c1ccccc1 11151317 OSRGHGFMOANILP-UHFFFAOYSA-N 384.439 3.597 0 40 GHAB CCOc1ccccc1Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 12235015 CVOPLZOJQFAHMO-UHFFFAOYSA-N 392.463 3.594 0 40 GHAB CN1C(=O)c2ccc(C(=O)Nc3ccccc3N3CCCCCC3)cc2C1=O 12545682 TVXLJNXPPYUUNO-UHFFFAOYSA-N 377.444 3.545 0 40 GHAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 12784842 KEEYITSNVKLFKY-JOCHJYFZSA-N 396.874 3.869 0 40 GHAB C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)c1ccc2c(c1)CCCC2 12862423 KRDRMWBSSJDZSQ-IRXDYDNUSA-N 391.515 3.980 0 40 GHAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 12922917 YDTNEZLGUGZASL-MRVPVSSYSA-N 386.304 3.858 0 40 GHAB CCn1c(S[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccncc1 12944136 PDDDXOIVIGZHRL-CYBMUJFWSA-N 395.488 3.682 0 40 GHAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c1C 13002420 APVJJBBGLXGYLE-UHFFFAOYSA-N 393.531 3.823 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@@H](C)c2ccccc2C)c(C)c1 13070283 WOJAPKLYRCDMKM-IBGZPJMESA-N 381.520 3.668 0 40 GHAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccccc1I 13170095 MRRJACMNWVWVNP-UHFFFAOYSA-N 381.169 3.550 0 40 GHAB CC[C@H](C(=O)Nc1cccc(SC)c1)N(c1ccccc1)S(C)(=O)=O 13711379 UFOPHUIUKQAVBW-QGZVFWFLSA-N 378.519 3.592 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3Cl)C2)cc1 14022768 ARFPHZQRKCFDKS-HNNXBMFYSA-N 392.908 3.688 0 40 GHAB COc1ccc(NC(=O)CSc2nc(CCC3CCCC3)n[nH]2)c(OC)c1 14093478 NGFPZFORXQUJIK-UHFFFAOYSA-N 390.509 3.676 0 40 GHAB COc1ccc(CN(C(=O)/C=C/c2cc(F)cc3c2OCOC3)C2CC2)cc1 14121578 FACPNMVPWGHNQX-RUDMXATFSA-N 383.419 3.905 0 40 GHAB O=C(N[C@@H]1CCc2ccccc21)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 14189059 HWZKAKANOFWDNL-FXAWDEMLSA-N 382.891 3.996 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1nnc(C2CCCCC2)s1 14679161 IITWAUQBXMBYHF-UHFFFAOYSA-N 389.477 3.815 0 40 GHAB O=C(/C=C\c1ccc2c(c1)OCO2)NCc1cc(-c2ccc(F)cc2F)on1 16838462 GKKAYOAUHGMEBT-KXFIGUGUSA-N 384.338 3.678 0 40 GHAB COc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)N2CCCC2)cc1 17911336 BTYVBKJDZLGXNY-OAQYLSRUSA-N 382.504 3.644 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccsc2)c2ccc(C)cn2)cc1 19215673 KNOHBKAEDLCVPN-IBGZPJMESA-N 388.514 3.722 0 40 GHAB Cc1nc2ccccc2n1[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 19286672 VSEKKMAVHARQDC-VBKZILBWSA-N 391.450 3.684 0 40 GHAB O=C(NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1)C1CCOCC1 19293629 AFWBRQHWBWEHEP-UHFFFAOYSA-N 388.527 3.645 0 40 GHAB NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2cccc(F)c2)C1 19331732 QOXLOYDUONXELB-DEOSSOPVSA-N 389.474 3.808 0 40 GHAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN([C@@H](C)Cc2ccccc2F)C1 19456889 OVBSVHJFZZWAJS-QMHKHESXSA-N 382.479 3.586 0 40 GHAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@H](C)Cc3cccs3)CC1)CC2=O 19457156 ZXOSTSUMBLEWJU-OAHLLOKOSA-N 399.512 3.962 0 40 GHAB COC(=O)c1cc(C2CCN(C(=O)c3oc4ccc(C)cc4c3C)CC2)no1 19717709 YBAKMRBHDGOSAE-UHFFFAOYSA-N 382.416 3.844 0 40 GHAB CC(C)(C)C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O 19939438 PLEBDJGYXYYDHK-LJQANCHMSA-N 395.425 3.639 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COc2cc(OC)cc(OC)c2)cc1Cl 20106738 QWNQLIBPNJWEFQ-UHFFFAOYSA-N 393.823 3.551 0 40 GHAB CCc1ccc(-n2nc3ccc(NS(=O)(=O)c4ccccc4)cc3n2)cc1 20610153 BKWZWZWATOXVLP-UHFFFAOYSA-N 378.457 3.784 0 40 GHAB Fc1ccccc1-n1nnnc1SCc1nc(-c2ccc(Cl)cc2)no1 20745364 FJGPBMYOSZKUAE-UHFFFAOYSA-N 388.815 3.797 0 40 GHAB Cn1cc(Cl)cc1C(=O)OCc1nc(-c2cccc(Br)c2)no1 22003269 WIZZRMMXACGOPF-UHFFFAOYSA-N 396.628 3.848 0 40 GHAB CN1CCN(Cc2ccc(C(=O)c3ccc(Br)c(F)c3)cc2)CC1 22027924 IHRXFNLJFIJFHP-UHFFFAOYSA-N 391.284 3.567 0 40 GHAB CCN1CCN(Cn2c(=S)n(-c3ccc(OC)cc3)c3ccccc32)CC1 22583643 XWMLQXGRLLWZOP-UHFFFAOYSA-N 382.533 3.765 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1 23313071 GKAGLTMKKORSAG-IBGZPJMESA-N 380.444 3.566 0 40 GHAB O=C(CN1CCC[C@H](c2nc3ccccc3o2)C1)NCCCc1ccccc1 24662952 NMUYNZREEQYTTJ-IBGZPJMESA-N 377.488 3.756 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1OC 25618323 LRFBMIIGLIYQHN-SJLPKXTDSA-N 398.434 3.632 0 40 GHAB C[C@@H](NC(=O)c1cc(Br)ccc1I)C1CC1 25771209 CVFVESOBJSVSPG-SSDOTTSWSA-N 394.050 3.582 0 40 GHAB CC(=O)Nc1ccc(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)cc1 27025969 RRJKUMIMNWYKBJ-HXUWFJFHSA-N 393.468 3.757 0 40 GHAB O[C@@]1(c2ccc(Cl)cc2)CN(c2ccc3c(c2)OCO3)C2=[N+]1CCCCC2 27525146 BYCMUMOWVJSROE-OAQYLSRUSA-N 385.871 3.719 0 40 GHAB CCOCCCNC(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27971951 SLDDYZJHURIXRI-UHFFFAOYSA-N 379.460 3.743 0 40 GHAB C[C@H]1CCc2[nH]c3ccc(C(=O)N(C)Cc4ccc(C(N)=O)cc4)cc3c2C1 31165343 JPEUUEYGHWGDDP-AWEZNQCLSA-N 375.472 3.664 0 40 GHAB O=C(Nc1cc(Cl)ccc1O)c1ccc(-n2cnc3ccccc3c2=O)cc1 36354485 VZBIUZTVUAFXDL-UHFFFAOYSA-N 391.814 3.997 0 40 GHAB CCCn1ccc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)n1 36615806 QSLILBXYWGDCCH-UHFFFAOYSA-N 380.477 3.864 0 40 GHAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 36635659 ZOTIRJSWDFJCND-CQSZACIVSA-N 395.242 3.755 0 40 GHAB COC(=O)c1cc(I)c(OCc2ccccc2)cc1OC 39951666 AVWIOWCGIHNTDK-UHFFFAOYSA-N 398.196 3.665 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)nc1C 40140711 JAZNSCVRBQIHFU-UHFFFAOYSA-N 378.498 3.955 0 40 GHAB O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(F)c3cccnc23)CC1 42122483 AOTVTJCUNGLCSB-UHFFFAOYSA-N 376.435 3.854 0 40 GHAB O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CCCCNC1=O 42480101 ZWKJSMJIIWTYNP-MUBLQREKSA-N 394.315 3.522 0 40 GHAB O=S(=O)(NCC1CCN(Cc2ccsc2)CC1)c1ccccc1Cl 43953850 UFHCZJDOZAYETF-UHFFFAOYSA-N 384.954 3.592 0 40 GHAB COc1cccc(OCCNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 43975033 UNILCOQOZCETOR-UHFFFAOYSA-N 395.415 3.741 0 40 GHAB O=C(COc1ccc(Oc2ccccn2)cc1)NC[C@@H]1COc2ccccc2C1 44091882 TXDIGUGDXXULIU-QGZVFWFLSA-N 390.439 3.620 0 40 GHAB Cc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccccc1Br 45891104 JWJZAQPVGBHUNH-UHFFFAOYSA-N 378.295 3.974 0 40 GHAB O=C(NCCCn1ccc2ccccc21)c1ccc2c(O)[nH]c(=S)nc2c1 47932623 XMYXLKOTNGEDAV-UHFFFAOYSA-N 378.457 3.773 0 40 GHAB CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)NCc1ccccc1Cl 51316157 ISAFKMCLVFEIEH-UHFFFAOYSA-N 386.879 3.679 0 40 GHAB Cc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1Br 57611603 DAMZCKCQTHOBPL-UHFFFAOYSA-N 388.309 3.518 0 40 GHAB CCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2nc3ccccc3s2)CC1 57615721 KURZMZMUFPTZFX-INIZCTEOSA-N 399.568 3.701 0 40 GHAB O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)N[C@H]1CCCNC1=O 60211902 MTTQTQADGJMYAR-HKUYNNGSSA-N 388.920 3.557 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)N[C@H](C)c3cc(C)oc3C)CC2)c(F)c1 65494437 GVXLSOHIQNCTRX-CQSZACIVSA-N 387.455 3.831 0 40 GHAB COc1ccc(N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 69757150 TYWPZBHRYSRPNW-UHFFFAOYSA-N 378.457 3.735 0 40 GHAB CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](CC)c2nnc3n2CCCCC3)c1 72314302 PGHVWKJVXXRVIY-MRXNPFEDSA-N 398.511 3.934 0 40 GHAB CN(C)C(=O)c1cccc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)c1 72352922 CVSNLFUOZSOUJB-UHFFFAOYSA-N 394.450 3.817 0 40 GHAB COC(=O)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(OCC(C)C)cc1 78976178 NNDVJGUDXDMIPW-HXUWFJFHSA-N 383.488 3.555 0 40 GHAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1c(O)cc(F)cc1F 84544551 FDJILTBMFNSAEE-KRWDZBQOSA-N 383.398 3.723 0 40 GHAB CN(c1nn2c(=O)ccnc2s1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 95463634 XEFVROZEKGBRGU-KGLIPLIRSA-N 394.422 3.942 0 40 GHAB CCOc1ccc(OC(=O)[C@H](C)n2c(S)nnc2-c2cccs2)cc1 95958494 VWCZDRAEEXAISB-NSHDSACASA-N 375.475 3.861 0 40 GHAB COc1ccc(CN2CCC3(CC2)CCN(C(=O)Cc2cccnc2)CC3)cc1 96047334 AFUAHHFYIMOTKH-UHFFFAOYSA-N 393.531 3.538 0 40 GHAB Cn1c(CCCCCNC(=O)c2cc(=O)[nH]c3ccccc23)nc2ccccc21 96232756 JDDZCUVQIMOAAK-UHFFFAOYSA-N 388.471 3.558 0 40 GHAB COc1ccc(CNC(=O)NC[C@@](C)(OC)c2cccc(Cl)c2)cc1OC 96393308 DTVKRQXETCSZHR-HXUWFJFHSA-N 392.883 3.718 0 40 GHAB O=C1OCC[C@@H]2CCN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)[C@@H]12 97022175 HHBQMZPKNJQMCA-SCLBCKFNSA-N 383.879 3.818 0 40 GHAB Clc1ccccc1[C@H]1Cn2cnc(-c3nc(-c4ccncc4)no3)c2CO1 97078166 OBNRQOHTPASFTR-MRXNPFEDSA-N 379.807 3.920 0 40 GHAB Cn1ccnc1C1(O)[C@@H]2CCC[C@@H]1CN(Cc1ccccc1OC1CCCC1)C2 100150102 PNBWHCQHNMFUBS-WOJBJXKFSA-N 395.547 3.861 0 40 GHAB C[C@H](C(=O)Nc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 113940502 AFZIDGPYDPZNSP-LLVKDONJSA-N 387.288 3.787 0 40 GHAB CCc1nc(S/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C(=O)O)n[nH]1 213391554 XNEILKZOTCURNC-ZROIWOOFSA-N 385.401 3.543 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(OC(C)C)cc3)n2)c1 218985692 VFELMJGBVYQREU-UHFFFAOYSA-N 381.432 3.805 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 222776372 UDLYCAOITBCRNT-GFCCVEGCSA-N 397.277 3.838 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1Cl 223247930 VFEANJMQMNKTHQ-GFCCVEGCSA-N 393.892 3.655 0 40 GHAB COc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1cccc2c1CCCC2 223984521 OXKUIOBVQPIVEL-SJORKVTESA-N 383.488 3.925 0 40 GHAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 224033336 GMFBOTMLOYPDTN-WOJBJXKFSA-N 392.484 3.809 0 40 GHAB COc1ccc(CCC(=O)NCCOc2ccc(C)c(Cl)c2)cc1OC 224162778 IZZBUPCVVZGIQS-UHFFFAOYSA-N 377.868 3.793 0 40 GHAB COc1ccccc1O[C@@H](C)C(=O)NCc1cccc(CN2CCCCC2)c1 224685205 PWWXOZDWMBWRIC-SFHVURJKSA-N 382.504 3.765 0 40 GHAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc3c(c2)sc(=O)n3C)CC1 225055414 HEABMAJLEZGJSB-UHFFFAOYSA-N 395.528 3.759 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1C 225422575 QIIREDBMJRJPAW-JOCHJYFZSA-N 396.531 3.880 0 40 GHAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)NC1CCCCCCC1 225742429 BYNZQBYNTHITRM-UHFFFAOYSA-N 391.309 3.993 0 40 GHAB CCOCCOc1ccc(CN(C)C[C@@H](O)Cn2ccc3ccccc32)cc1 257265150 LXMSVMQXMIZMIC-OAQYLSRUSA-N 382.504 3.550 0 40 GHAB CCCCOC(=O)c1cc(NC(=O)CSc2nccc(O)n2)ccc1Cl 408544275 DRALNPIEGLULMH-UHFFFAOYSA-N 395.868 3.523 0 40 GHAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1 408591666 IZDIRHALGJKAFM-NRFANRHFSA-N 394.496 3.523 0 40 GHAB COc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1Br 409079720 LBSDFZAFHYOZHU-UVTDQMKNSA-N 379.254 3.683 0 40 GHAB O=C(Nc1csc(-c2ccc(Br)cc2)n1)N1CCC[C@@H]1CCO 529167678 BFKJMYHPFRDHHR-CYBMUJFWSA-N 396.310 3.951 0 40 GHAB CC1(C)C[C@H](c2nc(-c3ccc(N4CCOCC4)nc3)no2)c2ccccc2O1 557353767 TVLCTCJDVCLMRP-KRWDZBQOSA-N 392.459 3.661 0 40 GHAB CC[C@@H](C)n1[nH]c(=NC(=O)NCCc2cc(Br)ccc2F)cc1C 578449485 ZDIPQQDOSCAZKO-LLVKDONJSA-N 397.292 3.850 0 40 GHAB CC(C)CNC(=O)c1cccc(CN2CCC[C@](CO)(c3ccccc3)C2)c1 585080168 AMXRWABTMSZPIF-DEOSSOPVSA-N 380.532 3.599 0 40 GHAB CCOc1c(Br)cc(Cl)cc1NC(=O)N(C)C[C@H]1C[C@@H](O)C1 626248440 LKHVSJUQSSTNGY-JGZJWPJOSA-N 391.693 3.736 0 40 GHAB CC[C@H](Nc1ncnc2cc(Cl)ccc12)c1ccccc1OCC(=O)NC 674248994 ZFWYSPVIBDRVOD-INIZCTEOSA-N 384.867 3.971 0 40 GHAB CC(=O)N1CCN(Cc2csc(C)n2)C[C@H](Cc2cccc3ncccc23)C1 2037846287 NLWUSLPHGSKGCK-SFHVURJKSA-N 394.544 3.523 0 40 GHAB CCCn1nccc1C(=O)N1Cc2cccc(C)c2NCC[C@H]2CC[C@@H](C1)N2C 2037946886 PKPUAXRVKWMPEA-UXHICEINSA-N 395.551 3.522 0 40 GHAB Cc1ccc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)cc1 704629 RYANOJVVFKEJTD-GDNBJRDFSA-N 389.192 3.944 0 40 GHAB O=C(O)CCC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 986120 ZWRKSHKDWBECBP-UHFFFAOYSA-N 391.221 3.505 0 40 GHAB O=C(O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccncc1 1041516 GMWNQDTXFHCFJL-WOJBJXKFSA-N 376.387 3.786 0 40 GHAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 1362721 HSUQJJBLSMCEFJ-INIZCTEOSA-N 395.532 3.953 0 40 GHAB O=C(CSc1n[nH]c(=S)c2[nH]cnc12)c1ccc(Br)cc1 1692101 NVYQOBVQGNAPAD-UHFFFAOYSA-N 381.280 3.753 0 40 GHAB CCOCc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)s1 2191225 QOAWGOXMIQQYBI-MRVPVSSYSA-N 376.265 3.787 0 40 GHAB COc1ccc2[nH]c3c(N(C)CCc4ccc(OC)c(OC)c4)ncnc3c2c1 2377680 JFAVMPPGUKMXRQ-UHFFFAOYSA-N 392.459 3.816 0 40 GHAB COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(F)c(Cl)c2)cc1 2631383 XTHKQNMVJWJHMV-UHFFFAOYSA-N 392.843 3.799 0 40 GHAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cs1 3049231 DHLHZEXQZWEBNV-UHFFFAOYSA-N 392.889 3.876 0 40 GHAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCCCCC1 3214306 KATGQBHYESZVDX-UHFFFAOYSA-N 398.956 3.921 0 40 GHAB CCc1ccc(C(=O)c2sc(Nc3ccc(OC)cc3)c(C(N)=O)c2N)cc1 3292435 HCQVUWPUTKLBNT-UHFFFAOYSA-N 395.484 3.975 0 40 GHAB COc1ccc(CC(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)cc1OC 3340706 HLWKYLFRCAYXBB-UHFFFAOYSA-N 382.412 3.713 0 40 GHAB CSc1nc2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc2s1 3357140 KPXFQUSOANWKHQ-UHFFFAOYSA-N 392.527 3.821 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2nc3ccccc3s2)c1 3384252 GQEFNVGKZOPFSS-UHFFFAOYSA-N 381.862 3.710 0 40 GHAB CCCCCCn1c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c(=O)[nH]c1=S 4087123 YUXYOJPATKKSCS-SFHVURJKSA-N 398.532 3.908 0 40 GHAB biogenic Cc1ccc2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc2c1C 4275353 VJQVXGBENFPNHJ-UHFFFAOYSA-N 379.441 3.819 0 40 GHAB aggregator Cc1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)s1 5084109 WBRSHMOCVLTTTP-UHFFFAOYSA-N 377.516 3.827 0 40 GHAB CC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)C1 5234906 UFIYWUYYLFQPKA-ZSEKCTLFSA-N 384.501 3.995 0 40 GHAB O=C(c1ccccc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 5422130 YFWPOHGFUIFALS-UHFFFAOYSA-N 384.479 3.803 0 40 GHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@@H]2CCOC2=O)c(C)c1 5436999 XFNSPNFYPPPVCJ-LJQANCHMSA-N 376.412 3.628 0 40 GHAB O=C(CSc1nc2ccccc2[nH]1)Nc1cc(Cl)ccc1-n1cncn1 5628306 KMSDZXBXTKSGFB-UHFFFAOYSA-N 384.852 3.528 0 40 GHAB O=C(COc1ccccc1-c1ccccc1)NC[C@@H]1COc2ccccc2O1 5631713 RHYUNHLNCDCMAQ-GOSISDBHSA-N 375.424 3.689 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)cc2)N2C(=O)CSC2=N1 5942454 WFJYUPGJRKPOJL-LJQANCHMSA-N 377.469 3.894 0 40 GHAB Cc1cc(C)n2c(SCC(=O)N3CC[C@H](C)Sc4ccccc43)nnc2n1 6172099 WOFLONRJHOJKAY-AWEZNQCLSA-N 399.545 3.751 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 6346970 GBENEMJGBUXPOF-CYBMUJFWSA-N 380.897 3.769 0 40 GHAB COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccco3)C2)cc1 6590540 OLYCEKSMBYFVOR-LJQANCHMSA-N 382.441 3.828 0 40 GHAB COc1ccc(CN2C(=O)/C(=C\NCCC(C)C)c3ccccc3C2=O)cc1 6615897 ONYIOSKCVYMVNU-STZFKDTASA-N 378.472 3.854 0 40 GHAB Cc1sc(NC(=O)c2nn(C)c(=O)c3ccccc23)nc1-c1ccc(F)cc1 6997670 GYFNANQXRPSSLU-UHFFFAOYSA-N 394.431 3.757 0 40 GHAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)c1ccc2c(c1)OCO2 7313409 MUHQHGNMWPHKAX-UHFFFAOYSA-N 390.420 3.737 0 40 GHAB O=C(Cn1cnc2sccc2c1=O)N(Cc1ccccc1)Cc1ccccc1 7495043 MWGHVAKVMACRAP-UHFFFAOYSA-N 389.480 3.687 0 40 GHAB CCOc1cc(C(=O)O)cc(Br)c1OCC(=O)Nc1ccccc1 7604180 MXLYGKLKGWSTBD-UHFFFAOYSA-N 394.221 3.564 0 40 GHAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1C1CC1 7617103 ZZQHXVCEWGDQJV-ZDUSSCGKSA-N 397.508 3.572 0 40 GHAB CS(=O)(=O)c1ccccc1NC(=O)COc1ccccc1Cc1ccccc1 8006901 ASSNEOAAGTYZMN-UHFFFAOYSA-N 395.480 3.698 0 40 GHAB CCc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)C(C(=O)OC)=C2C)cc1 8085581 USRIMBIYWVYLPX-UYRXBGFRSA-N 391.423 3.824 0 40 GHAB COc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1ccccc1 8113223 ZFNKEZUPTCFUMD-UHFFFAOYSA-N 384.501 3.874 0 40 GHAB CC(C)[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc2c(c1)OCCO2 8124363 GYQTZBFXTNCRBL-HXUWFJFHSA-N 379.412 3.691 0 40 GHAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8134715 UVEQMVAKZXCEMZ-IBGZPJMESA-N 375.428 3.825 0 40 GHAB CC(C)n1ncc2c(C(=O)NCc3ccccc3CN(C)C)cc(C3CC3)nc21 8271822 JJQBVUZOLHBXJO-UHFFFAOYSA-N 391.519 3.881 0 40 GHAB COc1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)c(OC)c1 8845910 UOQFHZSLVZKLJJ-UHFFFAOYSA-N 394.456 3.631 0 40 GHAB O=C(c1ccc(Cl)nc1Cl)N1CCN(c2nsc3ccccc23)CC1 9134552 AWZPFWNUGYUYLC-UHFFFAOYSA-N 393.299 3.961 0 40 GHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1 9226196 MRTWSGNOBQKWKE-UHFFFAOYSA-N 388.423 3.906 0 40 GHAB O=c1oc2ccc(F)cc2cc1S(=O)(=O)c1ccc(Br)cc1 9610709 VCNNHXUZNSFGIF-UHFFFAOYSA-N 383.194 3.527 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C 9717654 OVQCONJZECOWSX-CQSZACIVSA-N 382.420 3.611 0 40 GHAB Cc1cc(SCC(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)nc2ccccc12 9912304 KHZGSTZCACIPMG-QKKBWIMNSA-N 382.485 3.579 0 40 GHAB CCN1C(=O)Cc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 10825605 GXMCKDHPGHOQKE-UHFFFAOYSA-N 379.243 3.920 0 40 GHAB Cc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccc(F)cc3)CC2)cc1 10964283 RYNFENKSHZESNR-UHFFFAOYSA-N 382.479 3.735 0 40 GHAB CCn1c(N2CCC(C(=O)NCc3cccc(F)c3)CC2)nc2ccccc21 12116394 DKNQAARALTYUPQ-UHFFFAOYSA-N 380.467 3.728 0 40 GHAB COc1ccc(CN(C)Cc2n[nH]c3c2CCCC3)cc1Cc1c(C)n[nH]c1C 12147160 YNTMBCCWTGDFBO-UHFFFAOYSA-N 393.535 3.860 0 40 GHAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1cc(C)cc(C)c1 12580724 ACUDBWAFISIUJN-SFHVURJKSA-N 386.517 3.802 0 40 GHAB CC(C)OCCSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 12593498 TXHBADXEQHUSKI-UHFFFAOYSA-N 394.500 3.610 0 40 GHAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CCCCCCC3)C2=O)cc1 12774117 KTJBOGMUSLLZFI-QHCPKHFHSA-N 399.535 3.635 0 40 GHAB COCCn1cc(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)ccc1=O 12862458 YOPYTNLYOKDVLC-OAHLLOKOSA-N 388.533 3.960 0 40 GHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(O)c(Cl)c1 12925014 AZENKLPMGBCYFN-UHFFFAOYSA-N 389.864 3.744 0 40 GHAB O=C(COC(=O)c1ccccc1NCCO)Nc1ccccc1-c1ccccc1 13039053 CPBAHCCORWFYOF-UHFFFAOYSA-N 390.439 3.553 0 40 GHAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(I)o1 13483423 JEKYPIIDDTZJKH-XFFZJAGNSA-N 399.571 3.882 0 40 GHAB Cc1ccccc1CN1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 13945738 KHQKKGCATRGMTD-UHFFFAOYSA-N 395.522 3.695 0 40 GHAB CCCC[C@@]1(C)NC(=O)N(Cc2nc3ccccc3c(C)c2C(=O)OCC)C1=O 14094275 PBFLREVYKDWKMC-JOCHJYFZSA-N 397.475 3.721 0 40 GHAB COc1cc(C)c(NC(=O)c2nn(-c3ccc(C)cc3C)nc2C)cc1OC 14125127 NDLKOUFFJVAKRR-UHFFFAOYSA-N 380.448 3.770 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc21 15867551 RMLDFFGGYDCEKC-CQSZACIVSA-N 385.489 3.515 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCc3ccccc3)c2)c1 17357582 OBIADYPPUJNRCM-UHFFFAOYSA-N 394.496 3.768 0 40 GHAB Cc1nc(C)c(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2Cl)o1 19559393 VOOGLPCVTQWORF-KRWDZBQOSA-N 384.867 3.997 0 40 GHAB Cc1ncc(C(=O)Nc2ccccc2F)c(CCNC(=O)CC2CCCCC2)n1 19697462 JYIUMDKDCNMSML-UHFFFAOYSA-N 398.482 3.806 0 40 GHAB CN1CCN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1 19790516 MGPXTVOYQXAPCH-UHFFFAOYSA-N 393.512 3.875 0 40 GHAB COc1ccc(C(=O)NCC(=O)OCc2nc3ccccc3c(C)c2Cl)cc1 21191090 AEJLNGIMIHMIEE-UHFFFAOYSA-N 398.846 3.678 0 40 GHAB CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C1CCCCC1 22409560 WPIFQEZNYKGGPC-OAHLLOKOSA-N 398.956 3.532 0 40 GHAB Cc1ccc2nc(N(CCN3CCOCC3)C(=O)Cc3ccccc3)sc2c1 22998403 GQZYZEVQHKXBDC-UHFFFAOYSA-N 395.528 3.513 0 40 GHAB Cc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(N)=O)cc1 23125930 BTXBVVCXRYIUHM-UHFFFAOYSA-N 386.498 3.648 0 40 GHAB CC(C)Cn1nnnc1S[C@H](C)C(=O)Nc1ccc(SC(F)F)cc1 24756442 YZKYQXFRNJDBAP-SNVBAGLBSA-N 387.481 3.763 0 40 GHAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 25065406 UCUFHZATSOSPAI-LSDHHAIUSA-N 387.430 3.643 0 40 GHAB Cc1ccc(SCC(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)cc1 25294705 USZUTMPYOMGKRX-HNNXBMFYSA-N 395.488 3.517 0 40 GHAB O=c1[nH]nc(SCc2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1 25951740 LQGJOJCEIHYCCL-UHFFFAOYSA-N 381.379 3.811 0 40 GHAB O=C1c2ccccc2N[C@H](c2ccc(OCCN3CCCC3)cc2)N1C1CC1 27215831 LHKQXVIHPVMMSW-QFIPXVFZSA-N 377.488 3.890 0 40 GHAB COc1ccc(-c2nc(CCNC(=O)COc3ccccc3C)cs2)cc1 27993696 SPTWCECZGKPHDN-UHFFFAOYSA-N 382.485 3.865 0 40 GHAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NCc1ccccc1 28237531 PSLXWPKGSUHPTQ-JTQLQIEISA-N 390.203 3.850 0 40 GHAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1 29825798 GBOQWJWPSMDCHX-JKSUJKDBSA-N 381.480 3.812 0 40 GHAB CC1CCN(Cc2ccc(CNS(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1 32771340 RFNPVDQPGXECOJ-UHFFFAOYSA-N 394.487 3.675 0 40 GHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)Nc1c(F)cccc1F 32908123 OYLLLYLIRBIWOK-UHFFFAOYSA-N 377.416 3.874 0 40 GHAB O=C(CCc1cccc(Cl)c1Cl)NC1CCN(C(=O)c2ccoc2)CC1 32924511 XXJMGEAXQLQMTM-UHFFFAOYSA-N 395.286 3.940 0 40 GHAB COc1ccc2[nH]cc(C(=O)CN3CCN(c4cccc(C)c4C)CC3)c2c1 36080454 RTNPSQWOPGEIKA-UHFFFAOYSA-N 377.488 3.798 0 40 GHAB CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 37149228 FDYHDXMRZJDVSH-KSSFIOAISA-N 394.924 3.520 0 40 GHAB Cc1nnsc1C(=O)N(C[C@H]1CCCO1)c1nc2c(C)ccc(C)c2s1 38840291 ZMOQBYMODXMPTM-CYBMUJFWSA-N 388.518 3.899 0 40 GHAB CCN(CC(=O)Nc1ccccc1SC)S(=O)(=O)c1ccc(Cl)cc1 39986869 OAHPHNLCCQNHHY-UHFFFAOYSA-N 398.937 3.711 0 40 GHAB Cc1ccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)c2cccnc12 40120237 NGPMPNJFXLNVDR-UHFFFAOYSA-N 381.407 3.913 0 40 GHAB CCCCc1nnc2sc(NC(=O)c3ccccc3Br)nn12 41076398 HRNUCEMEQHGBSP-UHFFFAOYSA-N 380.271 3.543 0 40 GHAB COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2cc(C)cc(C)c2C)CC1 44842300 FFILEDJLUYIXHE-IBGZPJMESA-N 382.504 3.737 0 40 GHAB Cc1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 49936949 CGJRMGWUWBFLGH-UHFFFAOYSA-N 378.394 3.741 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(C)cc3s2)c(OC)c1 57315837 KPXQGHAWELCWPS-UHFFFAOYSA-N 387.486 3.749 0 40 GHAB O=C(CSCc1ccc(Cl)cc1)Nc1cccc(-c2noc(O)n2)c1 57753703 WAHCNJLQSSALHY-UHFFFAOYSA-N 375.837 3.968 0 40 GHAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)Cc2n[nH]c3ccccc23)C1 65503656 IUOSUXBSMXDWPO-KRWDZBQOSA-N 376.504 3.654 0 40 GHAB O=C1CCCC[C@@H]1Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 66316499 UTJBBTJQNDDYKY-WBVHZDCISA-N 375.469 3.867 0 40 GHAB O=C(COC(=O)c1cc(Cl)ccc1F)NCc1cccc(C(F)(F)F)c1 67198262 VJBOEOXVYBKVMA-UHFFFAOYSA-N 389.732 3.971 0 40 GHAB Cc1noc(-c2ccc(C(=O)/N=c3\[nH]c4ccccc4n3C(C)(C)C)cc2)n1 68835676 AZWCYDYXQGVQJZ-UHFFFAOYSA-N 375.432 3.824 0 40 GHAB Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 69419413 MBTWJFWIILPEJV-UHFFFAOYSA-N 390.892 3.506 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NC[C@H](O)c1cccc2ccccc12 70636133 PPQFXAAUNOIQQF-IBGZPJMESA-N 375.877 3.646 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc(OCc2ccccn2)cc1 71281108 WEIAWRHTFHTTMJ-KRWDZBQOSA-N 378.432 3.855 0 40 GHAB Cc1cc2occ(CC(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)c2cc1C 71802046 YQBAXWBUNOUPBY-MRXNPFEDSA-N 383.473 3.678 0 40 GHAB O=S(=O)(Cc1ccc(Br)cc1F)NCc1ccccc1Cl 72318860 QUUAPSSMOGABMI-UHFFFAOYSA-N 392.677 3.861 0 40 GHAB COc1cccc(Cc2cccc([C@@H]3CCCN(Cc4nccn4C)C3)n2)c1 72350015 NCSVLTYXADFEST-LJQANCHMSA-N 376.504 3.794 0 40 GHAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(CC(=O)N(C)C)C2)n1 72356133 RCKUUNRFVIFISS-LJQANCHMSA-N 385.939 3.902 0 40 GHAB CCC(=O)N1CCC[C@](Cc2cccc(-c3cccc(C)c3)c2)(C(=O)NC)C1 72391497 GDBXPHONIDKHOC-XMMPIXPASA-N 378.516 3.969 0 40 GHAB O=c1cc([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)nc(-c2ccncc2)[nH]1 72392912 KYOILLMRNIHORZ-KRWDZBQOSA-N 380.879 3.865 0 40 GHAB Cn1c(CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc(=O)n(C)c1=O 84303554 MSKSKIPNXCKTOC-IBGZPJMESA-N 386.904 3.760 0 40 GHAB O=S(=O)(Nc1ccccc1OC1CCCC1)c1cnn(-c2ccccc2)c1 84576690 JBJKLWBBPCAODV-UHFFFAOYSA-N 383.473 3.995 0 40 GHAB CC(=O)c1cccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c1 96820686 QINPZNKAGWRPCN-XSFVSMFZSA-N 399.410 3.773 0 40 GHAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CC1(O)CCCC1)OCCO3 97002258 DEWGQNYJETWZAH-MRXNPFEDSA-N 385.504 3.868 0 40 GHAB COCCn1/c(=N/C(=O)c2ccc3c(c2)CCCC3)sc2cc(OC)ccc21 100873170 QQBXFRNSTOMLAQ-FCQUAONHSA-N 396.512 3.978 0 40 GHAB O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)O1)N1CC[C@@H]2CCCC[C@@H]2C1 105299528 HSGZKDYRIRBUMC-WUTJBMLESA-N 396.516 3.734 0 40 GHAB O=C1C[C@@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccc(Br)cc1 113563349 NJVRHXUQPSCUSH-MRXNPFEDSA-N 384.233 3.674 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 113955166 BPXJWTICFGZEKO-GOSISDBHSA-N 388.533 3.727 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 113956564 RYMSSVVXKDOBHO-SFHVURJKSA-N 388.533 3.727 0 40 GHAB COc1ccccc1OC[C@H](C)NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 149865566 JEUGOXHZRCPJHT-KRWDZBQOSA-N 393.487 3.754 0 40 GHAB COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O 205683059 VQSYPHZOKSWKFV-WOJGMQOQSA-N 397.452 3.783 0 40 GHAB O=S(=O)(NCC[C@H](CCO)c1ccccc1)c1ccc(C(F)(F)F)cc1 206627764 WEDDWVRFUSKOOB-OAHLLOKOSA-N 387.423 3.540 0 40 GHAB O=C(N[C@H]1CCN(c2nccs2)C1)c1ccc2noc(-c3ccccc3)c2c1 206814085 IPLUYUXKGJWTAP-INIZCTEOSA-N 390.468 3.960 0 40 GHAB Cc1ccc(CN2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)cc1 219409705 SJYLIRQCHAZGQS-UHFFFAOYSA-N 379.548 3.850 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)[nH]1 224002055 JICDSOYUPLMXRV-WOJBJXKFSA-N 392.484 3.932 0 40 GHAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(OC)cc1C 224048099 HNIPFLYWACIRCV-UHFFFAOYSA-N 390.505 3.643 0 40 GHAB CSc1nnc(NC(=O)COc2ccc(Br)cc2Cl)s1 224314069 RWIUHKNURSNGDQ-UHFFFAOYSA-N 394.703 3.693 0 40 GHAB COc1cc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc(OC)c1OC 224646451 UDZQUSHFTPQGOE-UHFFFAOYSA-N 398.503 3.628 0 40 GHAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)c1 224668369 CFUSHBKFCYVTKA-SFHVURJKSA-N 384.495 3.927 0 40 GHAB COC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 224937701 OQQDCFPJUMIHHY-UHFFFAOYSA-N 388.272 3.914 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2nnc(SCC(C)C)s2)cc1C 225694651 ZRLIZBZEQFHCGW-UHFFFAOYSA-N 387.552 3.712 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 242964291 HKRNDSUJNSPPNL-UHFFFAOYSA-N 388.533 3.833 0 40 GHAB COC(=O)C1=CC=CCN(C(c2ccccc2)c2ccccc2)C=C1C(=O)OC 254209899 YXKGVFOFOHVSEW-UHFFFAOYSA-N 389.451 3.804 0 40 GHAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccccc1C(=O)c1ccccc1 390826544 AHCWZDPFWOCBNB-IBGZPJMESA-N 389.455 3.936 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1)N1CCCCC1 408560197 CMNYXICMPGQLPM-UHFFFAOYSA-N 379.526 3.706 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)N1CCCC1 408594435 RWCNBNLLOYEKJR-UHFFFAOYSA-N 397.859 3.908 0 40 GHAB Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc3nc(CC(C)C)[nH]c3c2)c1C 524734003 MFUXJHXBOQBRTL-UHFFFAOYSA-N 395.492 3.668 0 40 GHAB Cc1noc(C2(NC(=O)Nc3ccccc3-c3csc(C)n3)CCOCC2)n1 529091826 HWSDRVNYYJCIDV-UHFFFAOYSA-N 399.476 3.637 0 40 GHAB Cc1c(Cl)cc(F)c(NC(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)c1F 560411745 IQRPSOOYHIYZBA-GXFFZTMASA-N 384.814 3.702 0 40 GHAB CC[C@@H](CNC(=O)N1CCC12CCOCC2)Oc1cccc(C(F)(F)F)c1 585079492 OWEJLXURMIUFKI-HNNXBMFYSA-N 386.414 3.827 0 40 GHAB O=C(CCCc1ccc2nc(O)[nH]c2c1)N1CCC[C@@H]1COc1ccc(F)cc1 585080271 WZOJBTGWBSJGFZ-QGZVFWFLSA-N 397.450 3.800 0 40 GHAB CCSCc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)no1 600538010 VQOMMHFSVOTFRQ-GFCCVEGCSA-N 383.876 3.729 0 40 GHAB CO[C@H](C(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(C)cc1)[C@@H]1CCOC1 622845988 WPEQRHUQHUFNEH-APWZRJJASA-N 387.501 3.894 0 40 GHAB COc1cccc([C@@H](C(=O)O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 634691883 QHSUHCRELBYJNG-MSOLQXFVSA-N 379.815 3.687 0 40 GHAB COc1ccc(-c2noc(CN3CCCC[C@H]3c3cccc(C)c3C)n2)nn1 649330154 GUUJJGGXXDHUSU-SFHVURJKSA-N 379.464 3.879 0 40 GHAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Cl)cc1 1033718 VAYIMBLSWRJJNN-HNNXBMFYSA-N 397.814 3.704 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1 1943665 IELQJGCIAIDRGD-UHFFFAOYSA-N 378.222 3.643 0 40 GHAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)[C@H]3CCCO3)c(=O)[nH]c2c1 2223489 URDZXJUJRNOBGC-OAQYLSRUSA-N 376.456 3.544 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)cc1 2450976 VPFDJJIBTSLXLA-UHFFFAOYSA-N 382.489 3.784 0 40 GHAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)ccc12 4085038 HRPMSPCQWOHEHP-HNNXBMFYSA-N 390.439 3.709 0 40 GHAB biogenic CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(c1=O)S[C@@H](C)C2 4107873 GGZJQADAVIYZCZ-ZDUSSCGKSA-N 389.546 3.648 0 40 GHAB CCCCNC(=S)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O 4132591 YDUSEVQEIVEJFW-UHFFFAOYSA-N 399.516 3.807 0 40 GHAB COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)c1ccccc1C 4732589 UJUACQXHSGNUTB-UHFFFAOYSA-N 399.454 3.958 0 40 GHAB O=C(COc1ccccc1)Nc1nc2ccccc2n1CCN1CCCCC1 4941677 OHZIRONIADQPSI-UHFFFAOYSA-N 378.476 3.540 0 40 GHAB Cc1cc(C(=O)COC(=O)[C@H](O)c2ccccc2)c(C)n1Cc1ccccc1 5874640 CCBQLGGKCXDGFS-JOCHJYFZSA-N 377.440 3.613 0 40 GHAB COC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3[C@H]3CC=NN23)cc1 5938880 AVDIWZOSENMFON-QGZVFWFLSA-N 394.456 3.579 0 40 GHAB COc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2cccc3ccccc23)cc1 5994984 FNJWYBSBHVULCH-OAHLLOKOSA-N 379.412 3.798 0 40 GHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)ccc21 6073655 BXYHRQXBDOXTEE-UHFFFAOYSA-N 385.272 3.703 0 40 GHAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)NC1CCCC1 6080685 JIBHQZOTUZXQPN-QMMMGPOBSA-N 392.834 3.941 0 40 GHAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc(-c2ccccc2)n[nH]1 6178877 RUWYGYHTBWKNAE-LLVKDONJSA-N 384.427 3.753 0 40 GHAB CCc1ccc(OCc2ccc(C(=O)N3N=CC[C@]3(O)C(F)(F)F)o2)cc1 6555787 LIXJASMJRICXSC-KRWDZBQOSA-N 382.338 3.504 0 40 GHAB CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccccc3F)cc21 6794820 LFSMWZHIDDJXDS-UHFFFAOYSA-N 396.466 3.834 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 6946562 DHGPDXORASCBDS-HNNXBMFYSA-N 394.924 3.840 0 40 GHAB Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 6959463 REWNDYMWKBFCJO-UHFFFAOYSA-N 396.491 3.894 0 40 GHAB COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(Cl)cc23)cc1 6973808 GKOQILCLVASLGJ-UHFFFAOYSA-N 399.863 3.899 0 40 GHAB CCOc1ccccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 7310743 ZJVBLCIHJHRHBC-OUKQBFOZSA-N 378.472 3.976 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnnn1-c1cccc(C)c1C 8020541 GNKSPWGWILYFIU-UHFFFAOYSA-N 387.896 3.972 0 40 GHAB Cn1c(NC(=O)c2ccccc2)c(C2=NCCCCC2)c(=O)n1-c1ccccc1 8132294 YISHAYCMAHLHLV-UHFFFAOYSA-N 388.471 3.791 0 40 GHAB Cc1ccc(OCCSc2nnc([C@@H]3COc4ccccc4O3)n2C)cc1 8428082 UMUMFUAORZPPTM-SFHVURJKSA-N 383.473 3.807 0 40 GHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 8477805 IOVDDSQJZUUTIW-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB Cc1csc(SCc2c(C(=O)NCCN(C)C)oc3ccccc23)n1 8922793 PRHGFUVEYQZHFE-UHFFFAOYSA-N 375.519 3.781 0 40 GHAB Cc1cccc2nc(C(=O)Nc3nc(SCc4ccc(Cl)cc4)n[nH]3)cn12 9467755 UOVODSXQUFLHAR-UHFFFAOYSA-N 398.879 3.959 0 40 GHAB C[C@@H](Sc1nnnn1Cc1cccs1)c1nnc(-c2cccs2)o1 9607111 JGOBVALLOMTQEF-SECBINFHSA-N 376.492 3.748 0 40 GHAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccnc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 10041452 OKYPQKTUWXSONL-LBTNJELSSA-N 383.414 3.997 0 40 GHAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)NC(=O)Nc1ccccc1F 10140709 LJVGBZCDLBADQR-UHFFFAOYSA-N 394.450 3.835 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc(F)cc1 10656432 ARHOOJNBFNKDQI-SFHVURJKSA-N 375.806 3.800 0 40 GHAB O=C(CNc1cc(Cl)cc(Cl)c1)Nc1cccc(C(=O)NC2CC2)c1 11549362 NUWLOBKJAAOPOP-UHFFFAOYSA-N 378.259 3.936 0 40 GHAB O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccncc2)C1)C1CCCC1 12089241 ROSVHNIZALBHPU-RBUKOAKNSA-N 384.549 3.798 0 40 GHAB CC(C)(C)c1ccc2c(c1)OC[C@@H](C(=O)N1CCC(c3ccncc3)CC1)O2 12117390 QLWOKZLFURINHA-NRFANRHFSA-N 380.488 3.925 0 40 GHAB CCc1onc(C)c1C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 12254304 QQVXIYOQKSAXEG-QGZVFWFLSA-N 391.475 3.841 0 40 GHAB O=C(Cc1csc(-c2ccccn2)n1)N1CCCC[C@H]1CN1CCCCC1 12360927 MXOQLEQIWCPQOZ-SFHVURJKSA-N 384.549 3.615 0 40 GHAB Cn1ccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)n1 12444434 CTHQFKIIOWINBK-UHFFFAOYSA-N 385.399 3.550 0 40 GHAB O=C(CNCc1ccccn1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 12528773 FQSCFQYGDHVJQR-UHFFFAOYSA-N 379.847 3.694 0 40 GHAB COc1cc(C(=O)NC[C@@H](c2ccco2)N(C)C)ccc1OCc1ccccc1 12784684 WYMRPFDYVXPFGH-IBGZPJMESA-N 394.471 3.900 0 40 GHAB CC[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(C)cc1 12796341 NSDJYIPPKKRNPF-LJQANCHMSA-N 386.517 3.588 0 40 GHAB O=C(CSc1cccc[n+]1[O-])N(CCc1ccccc1)Cc1cccs1 12801529 MHVWVHQJAUSOIW-UHFFFAOYSA-N 384.526 3.745 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)c12 12868459 MVQNVIYDCIZSMR-UHFFFAOYSA-N 376.420 3.987 0 40 GHAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 12873837 QRLSNWIHWRANAG-AWEZNQCLSA-N 387.457 3.976 0 40 GHAB Cc1nc(C)c(-c2nn(CN(C)CCOc3ccccc3)c(=S)o2)s1 12886051 JDKNBUNTTJVPQY-UHFFFAOYSA-N 376.507 3.914 0 40 GHAB CCCCOCCCNC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 12907894 NIMOETXMGGVBOM-UHFFFAOYSA-N 390.480 3.816 0 40 GHAB Cc1ccc(-c2nc(C)sc2CC(=O)NC[C@@H]2COc3ccccc3O2)cc1 12984471 HNTFHFWSWXPERN-QGZVFWFLSA-N 394.496 3.926 0 40 GHAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC[C@@H]1c1cccs1 13075612 JXTHNWLWTWSROU-QGZVFWFLSA-N 390.530 3.510 0 40 GHAB CCCNC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 13583783 FDYAANSRIMLQED-UHFFFAOYSA-N 392.908 3.621 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 13658042 BWYNUCAPJXWREF-UHFFFAOYSA-N 396.853 3.899 0 40 GHAB COc1ccccc1-c1ccc(N2CCN(C(=O)CC3CCCCC3)CC2)nn1 13661695 FYSSEKBRMPICAR-UHFFFAOYSA-N 394.519 3.771 0 40 GHAB COc1cc(CNS(=O)(=O)Cc2ccc(Cl)cc2)ccc1OC(C)C 13674202 NGPJSDHGBJUJNG-UHFFFAOYSA-N 383.897 3.755 0 40 GHAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc(Cn2cncn2)cc1 13690388 TYMWGRLSUFTOKG-UHFFFAOYSA-N 393.447 3.770 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713522 KFKGDRTXFCLPHY-KRWDZBQOSA-N 398.887 3.971 0 40 GHAB O=c1c2cc(OCc3ccc(Br)cc3F)ccc2nc2n1CCC2 13725109 TXSUJNDTXKVPDW-UHFFFAOYSA-N 389.224 3.823 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)cc1 14091631 SYFQLJNNISAWMG-UHFFFAOYSA-N 396.516 3.762 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccc(CN(C)C)cc3)c12 14529540 NXWBHMTURCJCFC-UHFFFAOYSA-N 390.443 3.783 0 40 GHAB COC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@@H]1c1ccc(F)cc1F 16064231 DEXGTFDHXWPHJA-QGZVFWFLSA-N 392.427 3.782 0 40 GHAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(CC1(c3ccc(Cl)cc3)CC1)C2 19341174 JPLWKGVIXGENDK-UHFFFAOYSA-N 392.890 3.575 0 40 GHAB Cc1nc(COc2ccc([C@@H]3NC(=N)Nc4nc5ccccc5n43)cc2)cs1 19354033 PJBVMZRFUTVYTR-GOSISDBHSA-N 390.472 3.877 0 40 GHAB O=c1cc([C@@H]2CCCCN2Cc2c(F)cccc2F)nc(-c2ccccn2)[nH]1 19402743 GBFHCASQJBMNJH-IBGZPJMESA-N 382.414 3.837 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 20457677 DURZBHZOOLMHHJ-QZTJIDSGSA-N 388.533 3.644 0 40 GHAB COc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)c1 20611500 WBILYNYZBHRUEY-UHFFFAOYSA-N 391.265 3.547 0 40 GHAB COc1c(F)c(F)cc2c(=O)c(C(=O)Nc3ncc(C)s3)cn(C3CC3)c12 20735390 GJSYJHMSTDVIAB-UHFFFAOYSA-N 391.399 3.640 0 40 GHAB COc1ccccc1N1CCN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 20807278 NEDUKXQTWGHTDD-FQEVSTJZSA-N 398.547 3.555 0 40 GHAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)OCCCO2 21637780 SJVLRDPHUOLZFB-UHFFFAOYSA-N 380.488 3.764 0 40 GHAB Cc1cccc(OCCCn2c(CN3CCOCC3)nc3ccccc32)c1C 21785149 JRGDPKJMVAYJDM-UHFFFAOYSA-N 379.504 3.954 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCC(c2nc3ccccc3[nH]2)CC1 22226628 VLJQEKMUNNXOFC-UHFFFAOYSA-N 381.501 3.620 0 40 GHAB O=C(NC12CC3CC(CC(C3)C1)C2)C1(S(=O)(=O)c2ccccc2)CCCC1 22240040 IBNZKAZMVVEJNJ-UHFFFAOYSA-N 387.545 3.858 0 40 GHAB C[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C12CC3CC(CC(C3)C1)C2 22877168 ZUSSTCAXKBPDOL-SZMHJPNOSA-N 394.515 3.670 0 40 GHAB Cc1cc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccco3)nc2c1 22997801 IUFDJBYASQHPHX-UHFFFAOYSA-N 399.516 3.875 0 40 GHAB O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)Nc1ccc(F)cc1 23126444 KJTMIRJUWINFNL-UHFFFAOYSA-N 379.416 3.903 0 40 GHAB CN(C)c1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 24842614 AHPATOUYWREKDY-UHFFFAOYSA-N 396.516 3.501 0 40 GHAB COc1cccc(CC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 24931635 WVSWCRDPPPGZHH-NRFANRHFSA-N 375.472 3.676 0 40 GHAB COc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1nccn1C 25053187 SNQDTMNECPOBFA-LIRRHRJNSA-N 399.878 3.755 0 40 GHAB O=C(/C=C/c1ccc(-c2ccccc2F)s1)N1CCN(C(=O)C2CC2)CC1 25591048 NNYHLCOUNIWMPP-CSKARUKUSA-N 384.476 3.648 0 40 GHAB Cc1ccccc1C(=O)N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 27663956 KYHOSDUEGJPTCY-HXUWFJFHSA-N 393.508 3.978 0 40 GHAB CCn1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C(N)=O)n1 28234876 ODPFCEBKKAYOHQ-UHFFFAOYSA-N 383.260 3.776 0 40 GHAB CCCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 31903875 GEAAIZZCCYOFKF-UHFFFAOYSA-N 394.924 3.640 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)c1 32396503 MNWLDAPHSYZFHI-QGZVFWFLSA-N 378.519 3.781 0 40 GHAB CSc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1 36701663 YJVFSZXYNJBFPS-KKXDTOCCSA-N 379.489 3.658 0 40 GHAB Cc1nc(C2(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)CCCCC2)no1 40049122 BPOZEKBPFHZTNJ-SFHVURJKSA-N 385.464 3.525 0 40 GHAB COc1ccccc1[C@@H](NC(=O)c1csc(-c2ccco2)n1)c1nccn1C 40052502 SMLUVKAQPBGFFI-QGZVFWFLSA-N 394.456 3.665 0 40 GHAB C[C@@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1ccc(Cl)cc1Cl 40106071 FDTWTKLSDKIFQD-LBPRGKRZSA-N 386.300 3.613 0 40 GHAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccccc1N1CCCCCC1 40122169 YOUMLUMQLJXKLN-UHFFFAOYSA-N 378.538 3.753 0 40 GHAB Cc1[nH]c(C(=O)N2CCN(CC3CCCCC3)CC2)c(C)c1C(=O)OC(C)C 48236185 YGVAQUUIIGAHNC-UHFFFAOYSA-N 389.540 3.535 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2nc3cc(Cl)ccc3n2C)c1 48342758 IKYKNESDCLAAAW-UHFFFAOYSA-N 391.880 3.975 0 40 GHAB Cc1nc(SCC(=O)Nc2ccc(N(C)C)cc2)cc(-c2ccccn2)n1 49007110 CPARYLHPNYIYPP-UHFFFAOYSA-N 379.489 3.644 0 40 GHAB COc1ccc(-c2noc(-c3ccc(=O)n(Cc4cccc(F)c4)c3)n2)cc1 49007392 MYSSZFKGPJSFCA-UHFFFAOYSA-N 377.375 3.761 0 40 GHAB Cc1ccc(C)c(OCC(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)c1 54270289 WWKBZEGEXVIYIX-UHFFFAOYSA-N 379.416 3.870 0 40 GHAB Cc1nc(-c2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)oc1C 54672582 YOMRFZJMYOSAOE-UHFFFAOYSA-N 389.411 3.864 0 40 GHAB Cc1c(NC(=O)c2cc(F)c(Cl)nc2Cl)c(=O)n(-c2ccccc2)n1C 57757087 PGOPURPSLIADIU-UHFFFAOYSA-N 395.221 3.578 0 40 GHAB O=C(Cn1c(C2CC2)nc2ccccc21)NC[C@H](c1ccccc1)N1CCCC1 58343168 NVSLIQYZIWZSJC-JOCHJYFZSA-N 388.515 3.867 0 40 GHAB COc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCCO4)c(OC)c1 60612196 WXUDIMGSFWUFNT-UHFFFAOYSA-N 386.429 3.727 0 40 GHAB COc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2Cl)cc1OC 65091174 WCXOHPDRXKGGGF-AWEZNQCLSA-N 377.868 3.874 0 40 GHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 65477728 ADFNPENYABNUSX-NHCUHLMSSA-N 395.522 3.680 0 40 GHAB COc1cccc(Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)c1 67258328 UCVJZWVOSSZGNC-UHFFFAOYSA-N 398.871 3.924 0 40 GHAB CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)C1 69417925 AKNKOKGSXQYWLC-RHSMWYFYSA-N 378.900 3.602 0 40 GHAB CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 71281027 WDQPKXWSADLADE-NQIIRXRSSA-N 398.547 3.880 0 40 GHAB Cc1ccc(O)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1 71945500 DPBXFMCBODVAKD-UHFFFAOYSA-N 397.378 3.706 0 40 GHAB COc1cc(CC(=O)NC[C@](O)(Cc2ccccc2)c2ccccc2)ccc1C 72304413 HSTXYVVAHNHDNK-RUZDIDTESA-N 389.495 3.793 0 40 GHAB Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2C(=O)COc2ccccc2)n1 72376918 HFGLCNFQZLIYAK-HXUWFJFHSA-N 388.471 3.858 0 40 GHAB Cc1cc(C)c2c(C)c(C(=O)N3CCC[C@@H]3C(=O)NCc3ccco3)sc2n1 84114781 DJYKVGPGUSUOIA-MRXNPFEDSA-N 397.500 3.736 0 40 GHAB O=C(NCC(=O)N1CCCCC1)Nc1cccc(C2SCCCS2)c1 84374444 IXLMDLAPMKROLK-UHFFFAOYSA-N 379.551 3.689 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccc([C@@H](O)c2cccs2)s1 90613684 YJFXNWWMROEBDJ-KRWDZBQOSA-N 397.518 3.817 0 40 GHAB Cc1cc(C)c(NC(=O)COC(=O)c2cn3cc(C)nc3s2)c(Cl)c1 95455618 SDMFZHVDTABVMR-UHFFFAOYSA-N 377.853 3.770 0 40 GHAB Cc1ccc(Cl)c2ccc(N3CCC[C@H]3C(=O)N3CCSCC3)nc12 95460618 VPDINVORSFBLML-INIZCTEOSA-N 375.925 3.741 0 40 GHAB COc1ccc([C@H](N)c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1OC 95533860 YOMPWIZUBHZVPL-HNNXBMFYSA-N 378.354 3.556 0 40 GHAB Cc1ccc(-c2csc3ncnc(NC[C@](C)(O)c4cnn(C)c4)c23)cc1 95961070 QNVCGLUFKRBNKG-FQEVSTJZSA-N 379.489 3.720 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C)n2)ccc1Cl 95972420 BIFVJGBERVBXGC-UHFFFAOYSA-N 395.912 3.635 0 40 GHAB O=C([C@@H]1CCCO1)N1N=C(c2ccco2)C[C@H]1c1ccc(Br)cc1 96096339 IZRUFBCZENTZGV-RDJZCZTQSA-N 389.249 3.899 0 40 GHAB Clc1cccc(CN2CC[C@]3(COCc4cnc(-c5cccnc5)nc43)C2)c1 96244276 CKABGBKOVFNVTF-JOCHJYFZSA-N 392.890 3.866 0 40 GHAB Cc1ccc2nc3c(cc(C(=O)Nc4ccc(F)c(Cl)c4)n3C)c(=O)n2c1 96347385 LAFNTRNYOXCJNW-UHFFFAOYSA-N 384.798 3.539 0 40 GHAB COc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1 98212914 UQIRCLHIXQFXBR-UHFFFAOYSA-N 394.450 3.623 0 40 GHAB COc1ccc(C2(O)C[C@H]3CC[C@H](C2)N3Cc2ccc(CN(C)C)cc2)cc1 100765314 WOLVAHREUCUDPY-FGZHOGPDSA-N 380.532 3.771 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C2 100946536 ZFGVLKRKUBYNBG-MEDUHNTESA-N 391.411 3.722 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 107634056 DJQCJZVUXVDROW-CQSZACIVSA-N 380.897 3.750 0 40 GHAB CC(C)[C@@H]1C[C@H](NC(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)CCO1 108160404 QVYHYRIHPQTAAC-AOIWGVFYSA-N 386.517 3.539 0 40 GHAB CC1(C)[C@@H]2CC=C(COC[C@@H](O)CN3CCO[C@@H](c4ccc(F)cc4)C3)[C@@H]1C2 195528970 HCTQBABQZRDQQK-RYFAJOAYSA-N 389.511 3.569 0 40 GHAB CC(C)COc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1 205783261 AOUJFZFWQKSVNQ-CXUHLZMHSA-N 377.462 3.709 0 40 GHAB CCCCc1ccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220308006 XBIRTXPZJSDKRZ-OAHLLOKOSA-N 392.496 3.962 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2nccs2)c1C 222773067 VJMZOCLRIYMWPJ-SJORKVTESA-N 383.546 3.938 0 40 GHAB Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1NS(C)(=O)=O 222943479 CKRSUENXMOHSSN-HNNXBMFYSA-N 386.517 3.736 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(C(C)C)cc3)ccc21 223903227 LWUVHIGWOZRAKX-UHFFFAOYSA-N 386.517 3.588 0 40 GHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)[nH]1 224034607 SZBPLLUMFQPBFH-RBUKOAKNSA-N 378.457 3.624 0 40 GHAB O=C(NCc1nccc(N2CCCCC2)n1)C(c1ccccc1)c1ccccc1 224161155 KDYCDGZMCYGCNE-UHFFFAOYSA-N 386.499 3.915 0 40 GHAB Cc1cccc(CCCNC(=O)c2cccc(I)c2)c1 224964899 GWHXTSRQJQGPHA-UHFFFAOYSA-N 379.241 3.962 0 40 GHAB O=C(CSCc1ccc(Cl)cc1F)NC[C@H]1COc2ccccc2O1 225281853 SVDQCOVHNUNWGR-AWEZNQCLSA-N 381.856 3.669 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NS(=O)(=O)c1ccc(F)cc1C 225598663 PLJZWGGPCCDQAY-MRXNPFEDSA-N 379.453 3.723 0 40 GHAB NNc1nc2c(Br)cc(NC(=O)Cc3ccccc3)cc2s1 226309154 JYENIDAVZWCGQB-UHFFFAOYSA-N 377.267 3.526 0 40 GHAB Cc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@H](C)O[C@@H](C)C3)c(O)n2n1 227726121 BPXUOULXXLAUFS-PGUXBMHVSA-N 392.912 3.657 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)[C@H]1CC[C@H](OC)CC1)Cc1ccccc1O2 257242845 IELHDGMPGXWFQS-SLWLFXMRSA-N 386.536 3.514 0 40 GHAB COc1cccc2c1OC1(CCN(C(=O)c3ocnc3C)CC1)[C@H]1CCCO[C@H]21 257294168 QSWNOWVYIHQPGM-QFBILLFUSA-N 398.459 3.527 0 40 GHAB COc1ccccc1C(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccc(F)cc1)CO2 257310369 UEUWLCMKYPKWKJ-LJQANCHMSA-N 398.478 3.734 0 40 GHAB c1cc(-c2cnc3ncn(C4CCN(Cc5ccsc5)CC4)c3n2)ccn1 306128801 HKYFTYMVLWVABO-UHFFFAOYSA-N 376.489 3.787 0 40 GHAB CN1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3cccc(Cl)c3)CC2)C1 306133392 MKBNNRBOZCKMIA-UHFFFAOYSA-N 397.910 3.628 0 40 GHAB CCCN(C)C(=O)c1nc([C@@H]2CCCN2Cc2ccccn2)n2ccccc12 306137250 QQMKPVSFFAXIHI-IBGZPJMESA-N 377.492 3.548 0 40 GHAB O=C(NCc1ccnc(-c2ccncc2)c1)[C@H]1CCCN1c1nc2ccccc2o1 390827049 DQSKTNNWVKGYPX-HXUWFJFHSA-N 399.454 3.570 0 40 GHAB O=C1N/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1ccc(F)cc1 409016536 DFGOBZKEKYGHJU-VGOFMYFVSA-N 381.190 3.931 0 40 GHAB CCOc1ccc(Cl)cc1CCNC(=O)N1CCOc2cc(O)ccc2C1 500409620 MUNKVIKCKSVBLU-UHFFFAOYSA-N 390.867 3.591 0 40 GHAB COc1ccc2c(ccn2CCC(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)c1 524735229 IRJAGBWQMFHCPS-IBGZPJMESA-N 394.471 3.861 0 40 GHAB CN(C)[C@H](CNC(=O)c1ccc(Br)o1)c1cc2ccccc2o1 575619288 CUYVYOANNISINK-GFCCVEGCSA-N 377.238 3.821 0 40 GHAB OC[C@H]1CN(c2nccc(OCc3ccccc3)n2)CC[C@H]1c1ccccc1 585082703 NJYZCIQRRFBYNY-RTWAWAEBSA-N 375.472 3.658 0 40 GHAB COCC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C[C@H]2c1ccccc1 585169190 VIWLEXJZBOYJMQ-QFIPXVFZSA-N 378.516 3.541 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(c1)CCCC(=O)N2 642255704 MFQJUJZJASGQNO-UHFFFAOYSA-N 382.460 3.641 0 40 GHAB O=C(Nc1ccc(C2CCC2)cn1)N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1 667155643 OFGBOGJBDJEEPW-YLJYHZDGSA-N 381.480 3.607 0 40 GHAB CC(C)(C)c1cn2nc(N3CCCN(Cc4cc(C5CC5)on4)CC3)ccc2n1 2087045449 ORTLHAYYIOYWAF-UHFFFAOYSA-N 394.523 3.605 0 40 GHAB CCOc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OCc1ccccc1F 807766 WUSNVOXWCRLSLK-YJBOKZPZSA-N 377.437 3.592 0 40 GHAB Cc1cnc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)s1 869920 WNLDIVGNUMJOAL-UHFFFAOYSA-N 379.898 3.631 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C)c1C 873977 VUMFVFWXQYIQDV-UHFFFAOYSA-N 399.495 3.914 0 40 GHAB CCOC(=O)CSc1nnc(COc2ccccc2)n1-c1ccc(C)cc1 906865 VBMMXJHQGKZPHF-UHFFFAOYSA-N 383.473 3.810 0 40 GHAB Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)NC(C)(C)C)CC1 1380368 VXFBHQXGLMHZGX-UHFFFAOYSA-N 396.457 3.915 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCC(C)CC1 2310120 MGIVJPMRZPJTOX-CYBMUJFWSA-N 375.444 3.543 0 40 GHAB CCn1ncc(Cl)c1-c1nnc(S)n1-c1cnn(Cc2ccc(C)cc2)c1 2809176 NFENDSSKUIHIGH-UHFFFAOYSA-N 399.911 3.646 0 40 GHAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCCC1 3237853 IVUTVPMJUYXZHW-UHFFFAOYSA-N 376.453 3.765 0 40 GHAB COc1ccc(C(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(OC)c1 3341564 SZMMTEXKKHSPTC-GFCCVEGCSA-N 378.808 3.551 0 40 GHAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)nc2n1 3430973 FFOCLAIMFAQYTC-JTQLQIEISA-N 379.848 3.653 0 40 GHAB CC[C@@H](SC1=NCCS1)C(=O)Nc1nnc(-c2ccccc2OC)s1 4174667 MNGVNASUBKMCCV-GFCCVEGCSA-N 394.547 3.767 0 40 GHAB Cc1ccc2sc(N(Cc3cccnc3)C(=O)C3=COCCO3)nc2c1C 4273287 HOJQMLPWONIODS-UHFFFAOYSA-N 381.457 3.730 0 40 GHAB O=C(CSc1ccc(-c2ccccn2)nn1)Nc1nc2ccccc2s1 4358155 BZBJRAILDJSBJD-UHFFFAOYSA-N 379.470 3.879 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4373892 WAKBLYODQIVZFV-AWEZNQCLSA-N 381.329 3.772 0 40 GHAB CCCN1C(=O)[C@](O)(CC(=O)c2ccccc2)c2cc(Br)ccc21 4784300 DMMHANPSIRPGIM-IBGZPJMESA-N 388.261 3.666 0 40 GHAB Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 5018913 WNHODJVPCNQIPY-UHFFFAOYSA-N 397.456 3.524 0 40 GHAB CCC(CC)COC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc12 5069023 MQNNGDKFDLYEFA-HNNXBMFYSA-N 396.491 3.939 0 40 GHAB Cc1cccc(C)c1-n1nnnc1S[C@@H](C)C(=O)NCCC1=CCCCC1 5391603 NCSATLBBBJQBFP-INIZCTEOSA-N 385.537 3.766 0 40 GHAB CCOc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc(Cl)cc2)cc1 5485233 YRKXAWPZUSCDRY-UHFFFAOYSA-N 388.880 3.564 0 40 GHAB CCOc1ccc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)sc2c1 5635741 QFWPQQWPYPGYHI-UHFFFAOYSA-N 394.456 3.817 0 40 GHAB COC(=O)c1c(COC(=O)c2cccnc2SC)nc2ccccc2c1C 6589322 IQGJKWHKFBAGLX-UHFFFAOYSA-N 382.441 3.804 0 40 GHAB Cc1c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)oc2c(Cl)cccc12 6589433 ZGNZFTXPJMNOFN-UHFFFAOYSA-N 381.819 3.903 0 40 GHAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Br)cc1 7221846 MJBMJSWJSKLRJI-NSHDSACASA-N 377.238 3.659 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 7928282 WFRKHWZNJGCXBI-NSHDSACASA-N 379.243 3.994 0 40 GHAB Cc1cc(-c2csc(NC(=O)c3cnn(-c4ccccc4)n3)n2)c(C)n1C 8037026 SKQNIJLVPGUESV-UHFFFAOYSA-N 378.461 3.598 0 40 GHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H]1COc2ccccc2C1 8039261 LBWKJPAXGFTXCX-GOSISDBHSA-N 388.471 3.861 0 40 GHAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnc(-c3ccco3)o2)cc1 8267528 IBBPMUYDZOHZPR-UHFFFAOYSA-N 395.444 3.863 0 40 GHAB Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 8272273 DHGBXBZGBDAXAN-UHFFFAOYSA-N 386.498 3.787 0 40 GHAB C[C@H](NC(=O)c1ccccc1NC(=O)Cn1nnc2ccccc21)c1ccccc1 8278855 QJUFHKYCRSMRSB-INIZCTEOSA-N 399.454 3.561 0 40 GHAB COCCCNC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2C)n1 8476670 RROYHFCYHSSSHT-UHFFFAOYSA-N 384.867 3.662 0 40 GHAB Cc1nc2cc(C(=O)OCC(=O)N3CCCCC3)ccc2n1-c1ccccc1 8707994 YGJVQJJRJKDGCO-UHFFFAOYSA-N 377.444 3.503 0 40 GHAB COc1cccc(C=O)c1OCCCSc1nnc(-c2ccccc2)n1C 8731717 IMBCOHXHJSTRAT-UHFFFAOYSA-N 383.473 3.864 0 40 GHAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)c3cccc(OC)c3)c12 9061018 JMHDZAYRRMTULV-UHFFFAOYSA-N 396.443 3.933 0 40 GHAB C[C@@H](Cc1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1)c1ccccc1 9095525 AGHDWORXPOMYPL-ZDUSSCGKSA-N 397.456 3.631 0 40 GHAB COc1ccc(NC(=O)c2cn(CC(C)C)nc2OCC(C)C)c(OC)c1 9102581 KTDKTSGZZLMTLJ-UHFFFAOYSA-N 375.469 3.843 0 40 GHAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(CC)CCO3)cc1 9828103 SBPPKMPWWHHIJC-UHFFFAOYSA-N 382.460 3.972 0 40 GHAB COc1ccccc1NC(=O)CCc1csc(NC(=O)c2ccccc2)n1 11835376 GOKAKRFBDJNEHS-UHFFFAOYSA-N 381.457 3.975 0 40 GHAB Cn1c(N2CCC(C(=O)NCCCc3ccccc3)CC2)nc2ccccc21 12116353 OZMCEPVPFRDQMO-UHFFFAOYSA-N 376.504 3.539 0 40 GHAB COc1ccc(C2(C(=O)N3CCC(c4onc5c4CCCC5)CC3)CC2)cc1 12119791 BIICFQIBRCCGAU-UHFFFAOYSA-N 380.488 4.000 0 40 GHAB COc1ccccc1OCC(=O)N1CCC(c2onc3c2C[C@@H](C)CC3)CC1 12120324 MCJOLLJVRMBTKB-HNNXBMFYSA-N 384.476 3.593 0 40 GHAB COCCN1COc2ccc3c(=O)c(Oc4cccc(OC)c4)c(C)oc3c2C1 12442497 XHYVCQYUDXHPKK-UHFFFAOYSA-N 397.427 3.701 0 40 GHAB biogenic COc1ccc(F)cc1COC(=O)[C@H]1CC(=O)N(c2cccc(SC)c2)C1 12788993 UCNIQMAIPZLXCB-ZDUSSCGKSA-N 389.448 3.653 0 40 GHAB C[C@H](NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 12789626 VOILBQJDEWPWOX-NLWGTHIKSA-N 379.504 3.603 0 40 GHAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCO[C@H](c2ccccc2)C1 13012842 DGFICOWSGRJUEQ-NRFANRHFSA-N 391.446 3.714 0 40 GHAB CCC(CC)[C@H](CNC(=O)c1cc(SC)ccc1Cl)N1CCOCC1 13013110 NTLDQBPKDMCDEQ-SFHVURJKSA-N 384.973 3.929 0 40 GHAB CC(=O)Nc1cccc(OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1 13368388 ZZKLRCFTNBWCDG-UHFFFAOYSA-N 398.488 3.736 0 40 GHAB CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1OC(=O)c1cccc(OC)c1 13611060 TWPBOKOMSOTUHO-UHFFFAOYSA-N 376.416 3.847 0 40 GHAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 14467535 IIMJUMAYKCNBHU-KRWDZBQOSA-N 388.423 3.618 0 40 GHAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1SC(F)F 14603272 RZBJAJHDKATSHL-UHFFFAOYSA-N 376.384 3.626 0 40 GHAB COc1cccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)c1OC 15017849 QLUQVMFWNOMERC-AWEZNQCLSA-N 376.250 3.769 0 40 GHAB CC1=NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2N1CC(C)C 15867680 XIRIHJPKPKGAMP-OAHLLOKOSA-N 399.516 3.761 0 40 GHAB NC(=O)c1ccc(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 16816383 DMDZQOVFOCIJHV-UHFFFAOYSA-N 386.786 3.793 0 40 GHAB CN(CCO)c1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 16915308 IDFWXSIOZASVOL-UHFFFAOYSA-N 394.866 3.641 0 40 GHAB COc1cc([C@H]2NC(=O)c3ccccc3N2C)ccc1OCc1c(C)noc1C 18054151 ICYGNDUCMBQPAI-NRFANRHFSA-N 393.443 3.757 0 40 GHAB NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccccc2F)C1 19348794 IAPXTUTVHIBBRP-XMMPIXPASA-N 389.474 3.808 0 40 GHAB Cc1nc(N2CCOCC2)sc1C(=O)Nc1ccc(OC2CCCC2)cc1 19657509 REEBUTDZCGCLMV-UHFFFAOYSA-N 387.505 3.862 0 40 GHAB CCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 19706596 TZHSJWNEGOMVBZ-LJQANCHMSA-N 378.520 3.854 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)NC2CCCCC2)o1 19929135 ZNBIPHVDOGQKDR-UHFFFAOYSA-N 381.885 3.940 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N3)cc1 20720482 SWLKKYDOXJHBKR-INIZCTEOSA-N 395.850 3.737 0 40 GHAB COC(=O)c1cccc(OS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 21130539 NDYMZGLBVMSOKZ-UHFFFAOYSA-N 394.754 3.913 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)c1cccc(OCc2cscn2)c1 21938505 KFXYYCKDFVGVGV-UHFFFAOYSA-N 381.501 3.714 0 40 GHAB CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C)c(C)c2)CC1 22460125 CZMIZBYRPHMXEY-GHTZIAJQSA-N 385.577 3.862 0 40 GHAB CCOC(=O)Nc1cccc(C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)c1 23243395 ANPIUGQNLJPPFP-UHFFFAOYSA-N 395.503 3.912 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1NS(C)(=O)=O 29377983 CRWJJMIGJRFJNC-UHFFFAOYSA-N 388.489 3.940 0 40 GHAB O=C(Cn1nc(O)c2ccccc2c1=O)Nc1ccc(SC2CCCC2)cc1 30184159 BQQDTIZVIPORDF-UHFFFAOYSA-N 395.484 3.776 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccccc1 30758450 COGQLTFGDCVZKG-YLJYHZDGSA-N 388.533 3.725 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 32753801 PHUOIPWFABFCPU-UHFFFAOYSA-N 396.796 3.957 0 40 GHAB O=C(Nc1ccccc1F)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 32796251 CZKHZDWYHQZBRL-NSHDSACASA-N 377.213 3.580 0 40 GHAB Cc1nn(C)c(=O)c(-c2nc(-c3cc(C)n(-c4ccon4)c3C)cs2)c1C 32808897 PSKVRVQSDNOKJG-UHFFFAOYSA-N 381.461 3.583 0 40 GHAB Cc1noc(C)c1COc1ccccc1C(=O)NCCOc1ccccc1F 32999731 SNJBYGNBCAZUAY-UHFFFAOYSA-N 384.407 3.818 0 40 GHAB C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCC[C@H](C(=O)Nc2ccccc2)C1 35268852 UZZLZKQXTIVEFN-CABCVRRESA-N 387.430 3.643 0 40 GHAB Fc1ccccc1CN1CCC[C@H]1c1nc(-c2ccc(-n3ccnc3)nc2)no1 35425740 RVGFEQAPIBFQFN-SFHVURJKSA-N 390.422 3.794 0 40 GHAB biogenic,in-vitro CCCn1ncc2c(C(=O)Nc3cccc(OC)c3OC)cc(C3CC3)nc21 36617033 NQZUQLFMUGDXLQ-UHFFFAOYSA-N 380.448 3.988 0 40 GHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCCN1CCC[C@@H](C)C1 40108094 QPSNCBNUXLXQIX-CQSZACIVSA-N 379.570 3.893 0 40 GHAB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1nccs1 40134480 IQHREVVSSYDOAB-UHFFFAOYSA-N 381.383 3.541 0 40 GHAB Cc1cccc(C)c1-n1c(C)nc2nc(N3CCC(C)CC3)[nH]c(=O)c2c1=S 40386881 PMNOMZYHANGJIQ-UHFFFAOYSA-N 395.532 4.000 0 40 GHAB COc1ccccc1NC(=O)N1CCC(CNC(=O)/C=C/c2ccccc2)CC1 44004706 AQWBHFUUONKGGY-VAWYXSNFSA-N 393.487 3.769 0 40 GHAB COc1ccccc1C1(CNC(=O)c2nc3ccccc3s2)CCOCC1 44226393 VDVPOTHTRQOLOP-UHFFFAOYSA-N 382.485 3.783 0 40 GHAB CCOc1ccc(CNC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 44846056 MVXLMMDEUQPVDC-AWEZNQCLSA-N 375.490 3.900 0 40 GHAB c1ccc(OCc2cn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1 45221637 XZCHDGUCQVHIFW-UHFFFAOYSA-N 381.413 3.678 0 40 GHAB COC(=O)Nc1ccc(CNC(=O)c2cc3ccc(OC)cc3nc2C)cc1 48361607 YPAXJMBCXDSTDY-UHFFFAOYSA-N 379.416 3.660 0 40 GHAB O=C(Cc1cccs1)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1 48985215 XMKHXYTXEMKLIT-UHFFFAOYSA-N 376.445 3.649 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c(OC)c1OC 52492375 GIVHRCIRGKNRAQ-CYBMUJFWSA-N 393.867 3.758 0 40 GHAB Cn1cc(CCC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cn1 55068546 VPBWDMCMYOJUNM-UHFFFAOYSA-N 378.263 3.543 0 40 GHAB CC(C)C[C@H](c1nnnn1C(C)C)N1CCN(c2cccc(Cl)c2)CC1 57670210 TZHKRJCKNNDDAQ-GOSISDBHSA-N 376.936 3.817 0 40 GHAB C[C@H](SCc1ccccc1)C(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1 57995151 MFACXAGPFSGKLY-GOEBONIOSA-N 389.546 3.642 0 40 GHAB CSc1nc(C)c(CCC(=O)N[C@@H](CC(C)C)c2cccs2)c(=O)[nH]1 58213390 YRINWPLZPFBUJY-AWEZNQCLSA-N 379.551 3.698 0 40 GHAB C[C@@H]1CCCN(CCCCNC(=O)NCc2cccc(Br)c2)C1 60564838 JLSGNCWBRVFBHB-OAHLLOKOSA-N 382.346 3.760 0 40 GHAB Cc1nc(-c2ccncc2)sc1-c1nn2c(C(F)(F)Cl)nnc2s1 61719234 SBXLYRAJAARILX-UHFFFAOYSA-N 384.824 3.968 0 40 GHAB COc1ccccc1[C@H]1CCCN1C(=O)C[C@H]1Sc2ccccc2NC1=O 68814368 IOYJWGIXLCUETE-VQIMIIECSA-N 382.485 3.862 0 40 GHAB CSCC[C@@H]1NC(=S)N([C@@H]2CCCc3cc(OC(F)F)ccc32)C1=O 69630233 IVAMBYYIPRODBX-UONOGXRCSA-N 386.489 3.504 0 40 GHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(C(C)C)cc1)CC(O)=N2 71279841 QTXPSLXQQHJHOV-IRXDYDNUSA-N 387.505 3.798 0 40 GHAB Cc1ccc(F)cc1NC(=O)c1nnn(CC(=O)Nc2cccc(C)c2C)c1C 71327169 ZYZJHRWDWXUDLB-UHFFFAOYSA-N 395.438 3.542 0 40 GHAB CCCC[C@H](C(N)=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 72308282 DSLJCBIQYIDVQR-GOSISDBHSA-N 376.451 3.578 0 40 GHAB C[C@@H](C(=O)Nc1ccnn1[C@@H](C)c1cc(Cl)ccc1Cl)n1cncn1 72314238 WKUKCNQBIYLCAJ-QWRGUYRKSA-N 379.251 3.590 0 40 GHAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72353958 TXKSENVLLIOWOG-OAQYLSRUSA-N 395.522 3.922 0 40 GHAB Cc1nc(C(=O)N2CCC(c3nccnc3Oc3ccccc3F)CC2)co1 72363266 SKZPQQFZSZSKOT-UHFFFAOYSA-N 382.395 3.724 0 40 GHAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1Cc1cn(C)nc1C 72370353 AKSFPIFOUDXTAP-MRXNPFEDSA-N 382.533 3.510 0 40 GHAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1cncc(Oc2ccc(F)cc2)n1 72384410 YTJQHDNIWKMKOZ-LJQANCHMSA-N 396.422 3.919 0 40 GHAB CC(C)Cc1nc2ccc(NC(=O)c3ccc(Cl)c(-n4cnnn4)c3)cc2[nH]1 79482948 WMUVEKVTGGXGEP-UHFFFAOYSA-N 395.854 3.643 0 40 GHAB CNS(=O)(=O)c1cccc([C@H](C)NCc2cc3ccccc3nc2Cl)c1 95450153 QNNRUORHBYEKNN-ZDUSSCGKSA-N 389.908 3.647 0 40 GHAB CCOCCN(C)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 95459228 XCTYDCWHBKJGCE-UHFFFAOYSA-N 381.398 3.877 0 40 GHAB COc1ccc([C@@H](N)c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1OC 95533861 YOMPWIZUBHZVPL-OAHLLOKOSA-N 378.354 3.556 0 40 GHAB CCCn1cnnc1COC(=O)c1ccc(Br)cc1C(F)(F)F 95997427 SZLKTBQUXOUGOA-UHFFFAOYSA-N 392.175 3.826 0 40 GHAB Cc1cccc(N2C[C@@]3(CCN(C(=O)c4cccc5cccnc45)C3)CC2=O)c1 96238525 VAAQOYBODSNLDM-DEOSSOPVSA-N 385.467 3.812 0 40 GHAB O=C(Cc1ccccc1)NC1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1 98212905 VCTYVCMXVVGFPJ-UHFFFAOYSA-N 378.451 3.544 0 40 GHAB CCOc1cc(CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)ccc1OC 114293208 PUORJMZBPHTBMD-UHFFFAOYSA-N 393.487 3.886 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(OC)c1 222797361 UERRMNOOLUMZSD-PMACEKPBSA-N 378.501 3.873 0 40 GHAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 223672043 FMECACPWVOFNKD-PMACEKPBSA-N 398.532 3.534 0 40 GHAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 223706211 KXZOPNTVWQGLHU-VQTJNVASSA-N 398.532 3.534 0 40 GHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccc2c(c1)OCO2 225231266 AYKNZFVFIDZZOM-PDGQHHTCSA-N 390.395 3.726 0 40 GHAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2cccc3ccccc23)cc1 225964527 SDSZVUQJBPMXKI-UHFFFAOYSA-N 382.485 3.556 0 40 GHAB O=C(NC[C@H]1CCCOC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257241114 HWQRGQCVHCSHJP-HXUWFJFHSA-N 394.515 3.631 0 40 GHAB Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)c3ccc(N)nc3)C2)n1 257311594 UKGIMVUNQJAFBP-MRXNPFEDSA-N 391.450 3.880 0 40 GHAB Cn1cc(-c2nc(C(=O)N3CC[C@@](F)(c4cccc(Cl)c4)C3)cs2)cn1 512365645 BQKJEHUQJPYPLT-SFHVURJKSA-N 390.871 3.908 0 40 GHAB Fc1ccc([C@@H]2CC[C@@H]2c2nc(-c3cnc(OCC(F)F)cn3)no2)cc1 528184199 XWYOLGNYBOVYJJ-STQMWFEESA-N 376.338 3.971 0 40 GHAB O=C(c1cc2c(s1)CCC2)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575405691 UCUJMCBRRVYODM-INIZCTEOSA-N 386.542 3.549 0 40 GHAB Cc1cccc(OC[C@@H](O)CNCc2cc3c(C)ccc(C)c3nc2O)c1C 585283688 GUQXIHMIVDPPDV-IBGZPJMESA-N 380.488 3.704 0 40 GHAB O=C(NC1CCCCCC1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 585582370 RWZIGIGSYPVLNU-UHFFFAOYSA-N 382.512 3.614 0 40 GHAB O=C(NCC[C@@H]1CC1(F)F)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 621408767 LZIRJLNUGJCWTN-GFCCVEGCSA-N 398.406 3.825 0 40 GHAB O=C(NCC1(c2ccc(F)cc2)CCC1)N1CC[C@H](n2cc(Cl)cn2)C1 642097276 VESMIRTUVLLOMD-KRWDZBQOSA-N 376.863 3.754 0 40 GHAB CC(C)(C)CCOc1cnccc1CNC(=O)N1Cc2c[nH]nc2CC(C)(C)C1 663212305 MCUIUBGNRFAAKV-UHFFFAOYSA-N 399.539 3.914 0 40 GHAB COc1ccc(CN2CC3(CCN(C(=O)[C@]4(C)CC=CCC4)CC3)CC2=O)cc1 1565553461 AIBUZYOLSDEIKU-HSZRJFAPSA-N 396.531 3.783 0 40 GHAB O=C(CCc1ccccc1)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1775970676 HMGNHYBEEBUWFI-UHFFFAOYSA-N 387.483 3.707 0 40 GHAB COCc1nsc(N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)n1 1888890871 MBNOIAOVEOEDJT-UHFFFAOYSA-N 375.885 3.665 0 40 GHAB COc1cccc(CN2CCCC[C@@H]2C2CCN(C(=O)OCCF)CC2)c1 2056225650 WNSJAZGJRGIWSI-HXUWFJFHSA-N 378.488 3.868 0 40 GHAB CCC(CC)C(=O)N1CCC[C@H](c2nc(-c3ccc(OC)c(OC)c3)no2)C1 1362984 OWFODTLQLYLHGG-INIZCTEOSA-N 387.480 3.896 0 40 GHAB Cc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)C(C)C)c1 79112502 WCIIJXYXNZPNOM-HXUWFJFHSA-N 399.516 3.700 0 40 GHAB COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 2940629 SRANVUBNXRDBSO-UHFFFAOYSA-N 388.272 3.805 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)N1CCCCC1 4164265 KDZRFIPDYKLSRZ-UHFFFAOYSA-N 387.896 3.549 0 40 GHAB Cc1nnc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)s1 23625870 SWYDAQDWCMKCPH-UHFFFAOYSA-N 386.502 3.664 0 40 GHAB COc1ccc(Cc2nnc3n2N=C(c2ccc(C)c(C)c2)CS3)cc1OC 4586131 WPTVLIPRKGVHAL-UHFFFAOYSA-N 394.500 3.861 0 40 GHAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)c1ccccc1 12544941 JUOICRPPNOLVRQ-OAHLLOKOSA-N 390.530 3.620 0 40 GHAB CSc1nnc(C)n1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 6223734 PKDMAROIGCTZKU-UHFFFAOYSA-N 393.266 3.715 0 40 GHAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 6919554 URTJOZUFSVZGFJ-UHFFFAOYSA-N 389.445 3.607 0 40 GHAB O=c1[nH]nc(SCc2ncc(-c3ccccc3)o2)n1CCc1ccccc1 24276280 BZVVRGMLLWMGFX-UHFFFAOYSA-N 378.457 3.761 0 40 GHAB C[C@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccnc1 12541073 XCDZMGXGTCZPDA-KRWDZBQOSA-N 386.455 3.888 0 40 GHAB Cc1cc(S(=O)(=O)N2CCCCC2)c(Br)cc1Br 54362977 LAJNSVMBKCJHSR-UHFFFAOYSA-N 397.132 3.695 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)CCn1c(=O)n(CC)c2ccccc21 24698802 HMAHWMMPOJAJME-UHFFFAOYSA-N 391.924 3.977 0 40 GHAB CCN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)[C@@H](C)c1ccc(F)cc1 55444189 SBFGRBSQTDYXFY-INIZCTEOSA-N 379.435 3.659 0 40 GHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4OC)ccc1c23 1448657 NRIPCAUCAUVABP-UHFFFAOYSA-N 382.441 3.629 0 40 GHAB C[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)c1c[nH]c2ccccc12 9546781 BHCGMKMQUQGFLY-VXGBXAGGSA-N 388.518 3.974 0 40 GHAB CC1(C)CC(O)CC(C)(C)N1C[C@H](O)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102579318 LVHVVULBVCVEDK-MUCNXURCSA-N 381.601 3.983 0 40 GHAB CCN(CC)C(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 58013840 KFNKIUHOCACMHV-OAQYLSRUSA-N 388.533 3.581 0 40 GHAB COc1ccc2[nH]/c(=N\C(=O)c3csc(NCc4ccco4)n3)sc2c1 44902932 RFOIPBOVWVAOTJ-UHFFFAOYSA-N 386.458 3.641 0 40 GHAB Cc1cc(F)ccc1NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 12773746 YLWJCMWLKNPDKD-UHFFFAOYSA-N 386.448 3.594 0 40 GHAB CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C1=C[C@@H]2CC[C@@H](C1)N2C 100047612 LZYMPGNBBKVSQZ-IRXDYDNUSA-N 388.508 3.705 0 40 GHAB Cc1cc2nc3c(c(O)n2n1)C[C@@H]1CC[C@@H](C3)N1Cc1ccc(OC(C)C)cc1 100219510 XACLLCBHLYTWQT-ROUUACIJSA-N 392.503 3.662 0 40 GHAB Cc1cccc(NC(=O)c2sc3nc(Cc4ccccc4)[nH]c(=O)c3c2C)n1 28194976 SFYXWGBNPATCED-UHFFFAOYSA-N 390.468 3.840 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=O)Cc3c(C)nn(CC(C)C)c3C)sc2c1 12749686 XNEWOUZLIHIOJY-UHFFFAOYSA-N 399.520 3.905 0 40 GHAB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1ccccc1OC(F)F 12771004 XXJFZMVESIXCQX-MRXNPFEDSA-N 382.407 3.847 0 40 GHAB Cc1cc(NC(=O)CCn2cnc3sccc3c2=O)ccc1Br 10917260 KFBWOZAGNNBXHM-UHFFFAOYSA-N 392.278 3.558 0 40 GHAB CCc1ccc(Nc2nnc(SCc3ccccc3Cl)n(N)c2=O)cc1 28536076 UXGHOSHFRVHZKT-UHFFFAOYSA-N 387.896 3.604 0 40 GHAB CC(C)c1ccc(Nc2nnc(SCC(=O)NC[C@H]3CCCO3)s2)cc1 3373678 CKGYUECDDQOWER-OAHLLOKOSA-N 392.550 3.792 0 40 GHAB Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1 3341524 PKYBHCUPDUPXGH-HSZRJFAPSA-N 393.487 3.698 0 40 GHAB O=C(Cc1csc(-n2cccc2)n1)N1CCC(c2nc3ccccc3[nH]2)CC1 36708367 OLAFFDCPSFWVLL-UHFFFAOYSA-N 391.500 3.759 0 40 GHAB O=C(CSc1nnc2n1CCCCC2)Nc1ccc(N2CCCCC2)cc1 3385185 CCKDZUNCEPUIJC-UHFFFAOYSA-N 385.537 3.726 0 40 GHAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc2nsnc2c1 57315644 OZZOTUOQJLJOPM-UHFFFAOYSA-N 399.284 3.831 0 40 GHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NCc1ccc(F)cc1 2621424 GXDLKSQBRSGUSI-UHFFFAOYSA-N 382.464 3.692 0 40 GHAB C[C@H](OC(=O)c1cccc(N(C)C)c1)C(=O)Nc1ncc(Cl)cc1Cl 3400088 CDEJERCZJKMLAN-JTQLQIEISA-N 382.247 3.638 0 40 GHAB COC[C@@H](C)n1c(SCc2ccc(C(=O)OC)cc2)nc2ccccc2c1=O 3590312 GFSKEQVCUOZWFN-CQSZACIVSA-N 398.484 3.683 0 40 GHAB C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(F)cc1 12999067 DYEGLMJERDDTPK-SNQZOLJRSA-N 380.463 3.955 0 40 GHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2Cl)N1C(C)=O 4044927 INLQEXNBBIYWNK-ICSRJNTNSA-N 382.847 3.857 0 40 GHAB biogenic COc1ccc(-c2c(NC(=O)C(C)C)n(C)c3ccccc3c2=O)cc1OC 5321995 AYWROWPIVUVXGV-UHFFFAOYSA-N 380.444 3.817 0 40 GHAB COc1ccc(-c2nnc3n2C2(CCN(CCC(C)(C)C)CC2)CN(C)C3)cc1 306140904 VGMVYLUMWCZTFL-UHFFFAOYSA-N 397.567 3.626 0 40 GHAB Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(NC(=O)NC2CC2)cc1 65607757 ZTTHVUJUSDMFCN-UHFFFAOYSA-N 379.869 3.733 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCCC[C@@H]1C 5558171 UAXYFPWCIDPURS-HNNXBMFYSA-N 388.489 3.511 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(F)c3)n2C)cc1 4736271 ZQFMPDXZDUTXAL-LBPRGKRZSA-N 386.452 3.749 0 40 GHAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(O)c(OCC)c1 6752929 MWEBQJPIDQIBBJ-OAQYLSRUSA-N 393.443 3.842 0 40 GHAB CC[C@H]1CCc2sc(-c3nnc(SCC(=O)NC(C)C)n3C)cc2C1 5776277 IWPUZFUIZUZANO-LBPRGKRZSA-N 378.567 3.675 0 40 GHAB CC[C@@H](C)Sc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)s1 4975596 MGCVWGOAMMZYIM-CHWSQXEVSA-N 390.534 3.729 0 40 GHAB Cc1ccc(F)c(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)c1 67298854 VHVDOZZXQDGSSB-WGJYXZIMSA-N 396.418 3.727 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)NC2CCCCC2)nc2cc(C)[nH]c2c1=O 67238612 CCZVMXLBSAVKQW-CYBMUJFWSA-N 376.526 3.545 0 40 GHAB O=C(c1ccsc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 67205846 ATJPFOKBBYHWFM-UHFFFAOYSA-N 383.429 3.547 0 40 GHAB O=C1CN(C(=O)CN(Cc2cccs2)Cc2cccs2)c2ccccc2N1 7688433 OLHPFAZZYCJPNQ-UHFFFAOYSA-N 397.525 3.797 0 40 GHAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1Cc2cc(Cl)ccc2O1 16142984 ZKJGRGPBIYONJS-HXUWFJFHSA-N 398.890 3.586 0 40 GHAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCCCn2nc(C)cc2C)CC1=O 7985308 FDKJRPFOFVFQTP-VQIMIIECSA-N 396.535 3.573 0 40 GHAB O=C(NCCCn1cnc2ccccc21)c1cc(F)ccc1Br 8136717 GCZYAYNMOMGDPE-UHFFFAOYSA-N 376.229 3.758 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1cccc(N2CCCC2=O)c1 8257624 BICYOMVDKCMNKQ-UHFFFAOYSA-N 382.489 3.592 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)N(C)Cc3nc4ccccc4s3)CC2=O)cc1 8264949 WGNIAAMONJXTKF-MRXNPFEDSA-N 393.512 3.870 0 40 GHAB CCCCN(C)C(=O)Cn1c([C@H]2CCCN2C(=O)C(C)C)nc2ccccc21 82087173 VCVJJDFLXLGAJW-LJQANCHMSA-N 384.524 3.614 0 40 GHAB Cc1csc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)n1 8428941 UQXYWTNRUAJAKG-UHFFFAOYSA-N 379.898 3.631 0 40 GHAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 8709112 PFRZETVOXJDHMJ-YWZLYKJASA-N 393.487 3.818 0 40 GHAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2cnn(Cc3ccccc3)c2)C1 95958317 WNLNJCFMACBWIF-GOSISDBHSA-N 383.540 3.954 0 40 GHAB CCC[C@@](C)(CCCNC(=O)Nc1ccc2c(c1)OCCO2)C1OCCO1 72306238 HGVSUMRQBCDKTI-FQEVSTJZSA-N 378.469 3.539 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2c(C)cccc2C)cc1OCC 72330915 CEUZROASTWBWBY-UHFFFAOYSA-N 385.460 3.825 0 40 GHAB COc1ccc(NC(=O)CN[C@H](C)c2nc(-c3cccnc3)cs2)cc1OC 95941311 VXXLDCCDYJLBQL-CYBMUJFWSA-N 398.488 3.512 0 40 GHAB Cc1nn(C)cc1CCC(=O)N1CCCc2c(NC(=O)OC(C)(C)C)cccc21 95976894 MHKBUNXGODKWPW-UHFFFAOYSA-N 398.507 3.988 0 40 GHAB Cc1cc(-c2noc([C@@H]3Cc4cc(Cl)ccc4O3)n2)ccc1-n1cncn1 546461102 GKZWHKZHJDBTPY-KRWDZBQOSA-N 379.807 3.955 0 40 GHAB CSc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1 20450355 SWTLWEBSMITCAP-UHFFFAOYSA-N 390.530 3.586 0 40 GHAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(O)cc2O)S1 408800364 ONBIQFNVTWJUNK-UHFFFAOYSA-N 377.829 3.523 0 40 GHAB CCc1n[nH]c(SCc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1 20611454 LCXYEAAKIAPMTQ-UHFFFAOYSA-N 382.445 3.640 0 40 GHAB Cc1nc(Nc2ccc(C(F)(F)F)cc2)cc(N2CCC[C@@H](C(=O)O)C2)n1 217366079 LBWDGKZTMZOSEN-GFCCVEGCSA-N 380.370 3.848 0 40 GHAB Cn1ccc(-c2cc(C(=O)NC(C)(C)CN3CCCCC3)c3ccccc3n2)n1 35316625 VQGGJMXENFUDFE-UHFFFAOYSA-N 391.519 3.630 0 40 GHAB COc1ccc2[nH]c(C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)c(C)c2c1 524734459 GYJRFYCPOSRCDR-SFHVURJKSA-N 380.444 3.919 0 40 GHAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc(Cn2cncn2)cc1 524733463 LPKAUFFQMLNIPA-LJQANCHMSA-N 377.473 3.808 0 40 GHAB Cc1ccc(COc2ccc(/C=C3/SC(=O)N(CC(=O)O)C3=O)cc2)cc1 409144822 QBCOYQSZEJHMGN-LICLKQGHSA-N 383.425 3.695 0 40 GHAB CCCCOc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c2ccccc12 31903880 JSNQMRRSVGVLGY-IYBDPMFKSA-N 377.506 3.817 0 40 GHAB O=C(Nc1cccc2ccccc12)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 62022851 JZMCZIOJJXBECF-SFHVURJKSA-N 398.470 3.671 0 40 GHAB CCc1ccc([C@H]2[C@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218659913 OWVUZDSLPMWCEM-YESZJQIVSA-N 379.934 3.744 0 40 GHAB O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 72362658 LIBABVBSSQVTBQ-HNNXBMFYSA-N 389.459 3.501 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)NCCOc1ccc2ccccc2c1 223611015 VXKXSGVUCOHPSE-UHFFFAOYSA-N 375.877 3.992 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 222962804 JLEMRQFYMICQCK-HXUWFJFHSA-N 384.545 3.782 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1C 225419470 FBKBPGVGSLKPAM-OALUTQOASA-N 396.531 3.878 0 40 GHAB CCc1ccccc1N(C)S(=O)(=O)c1ccc(OC)c(Br)c1 224875396 WRZLXWMDRIMGSX-UHFFFAOYSA-N 384.295 3.845 0 40 GHAB C[C@H]1CCCN(CCOc2ccc(NC(=O)C(C)(C)Br)cc2)C1 225594482 NSIVOPLCCOZMAP-AWEZNQCLSA-N 383.330 3.909 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(CC)cc1 225063668 XRLDRMORSUODTQ-IBGZPJMESA-N 396.531 3.614 0 40 GHAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223305235 ZAHAJTIZRVCRBP-VDGAXYAQSA-N 384.549 3.671 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 224522310 FWNYFNPROASGTP-GFCCVEGCSA-N 380.897 3.765 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1 223825963 XJFLZFLFCXBGNQ-QGZVFWFLSA-N 384.495 3.874 0 40 GHAB O=C(NC1CCN(c2cccnn2)CC1)N[C@H]1CC=C(c2ccc(F)cc2)CC1 583001164 QMONJMCUHYIAHB-IBGZPJMESA-N 395.482 3.520 0 40 GHAB Cc1ccccc1CN(C)c1nnc([C@H]2COCCO2)n1CCc1ccccc1 578911699 KFJGKBJWHXQZRO-OAQYLSRUSA-N 392.503 3.554 0 40 GHAB O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccccc1-n1cnnn1 96223104 BZEFEUFJMZHEIT-INIZCTEOSA-N 392.850 3.604 0 40 GHAB Cc1noc(C)c1COc1ccc(CN(C)C[C@@H]2CCn3ccnc3C2)cc1 585084601 LQYCPNDYGIWUOF-LJQANCHMSA-N 380.492 3.761 0 40 GHAB C[C@]1(O)CN(Cc2cccc(Br)c2)CC[C@@H]1Oc1cccc(F)c1 257241567 HYOPRENWJJYCMD-OALUTQOASA-N 394.284 3.993 0 40 GHAB Cc1cccnc1C(=O)N1CCC[C@@H]1CCc1cnc(-c2c(C)noc2C)cn1 257219658 DHPITDFQEUHKCX-GOSISDBHSA-N 391.475 3.689 0 40 GHAB O=C1O[C@@H](C(=O)Nc2c(-c3ccccc3)nc3sccn23)Cc2ccccc21 25740750 MJNDXSNUDUKMHE-MRXNPFEDSA-N 389.436 3.783 0 40 GHAB COc1ccc(CNC(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)cc1OC 96104117 GNPYOIBBBFRXCK-UHFFFAOYSA-N 398.507 3.892 0 40 GHAB Cc1cc(O)nc2ccc(NC(=O)c3ccc(CSc4nc[nH]n4)cc3)cc12 1645946111 FXJQBRWMLZCJCU-UHFFFAOYSA-N 391.456 3.912 0 40 GHAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1nsc(Cl)c1Cl 72324380 HRJZDCPGCGBGGR-MRVPVSSYSA-N 386.260 3.566 0 40 GHAB O=C(Nc1ccccc1Cl)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1775973746 NQSNQVRZLAEDRI-UHFFFAOYSA-N 385.777 3.503 0 40 GHAB CCC[C@@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc2c(c1)OCO2 5643064 WKUGGNRMOALCIG-HWPZZCPQSA-N 375.450 3.690 0 40 GHAB Cc1ccccc1NC(=O)CCCN(C)S(=O)(=O)c1ccc(Cl)cc1 5884981 GYXKKOZQQVXOLU-UHFFFAOYSA-N 380.897 3.688 0 40 GHAB CCC[C@H](C)NC(=O)CN1c2ccc(CC)cc2-c2ccccc2S1(=O)=O 11118187 GWDPTMTXKPESGS-HNNXBMFYSA-N 386.517 3.730 0 40 GHAB Cc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3ccccn3)CC2)cc1 12223133 WVCPJLATCRJXTD-XMMPIXPASA-N 391.490 3.933 0 40 GHAB C[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)c1ccc(F)c(F)c1 12796149 DMEAUWGMSHSDKW-HWPZZCPQSA-N 391.395 3.582 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)c2cc(Br)ccc2F)c(C)c1 12798287 JESOLDHORHIKAM-UHFFFAOYSA-N 393.256 3.882 0 40 GHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 14022823 SRFRBIUWJDUKTK-GHTZIAJQSA-N 396.487 3.700 0 40 GHAB O=C(NC1CCN(C(=O)Nc2ccccc2Cl)CC1)c1cccc(F)c1 15935703 RIGKPMAHZWJXHM-UHFFFAOYSA-N 375.831 3.905 0 40 GHAB CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 15936186 LNANAOIFUHDGHC-UHFFFAOYSA-N 385.439 3.651 0 40 GHAB Cc1nn(C)cc1C(=O)NC1CCN(C[C@@H](c2ccccc2)C2CCCC2)CC1 19583605 BUBKQVRNYFBXAC-QHCPKHFHSA-N 394.563 3.897 0 40 GHAB COc1cc(OC)c(C(=O)N2CC[C@H](c3cc4ccccc4cn3)C2)cc1OC 19594944 SVQJMIBWRMZDLB-KRWDZBQOSA-N 392.455 3.890 0 40 GHAB Cc1ccccc1C(=O)N[C@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)C(C)C 9900987 AYDXYCRFPHTYIP-QFIPXVFZSA-N 389.499 3.816 0 40 GHAB COc1ccc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cc1OC 1888866823 ZMTHGSUPQZWJCJ-UHFFFAOYSA-N 397.397 3.556 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(Br)cc1 11083115 YXOSWTXDBRCFRQ-UHFFFAOYSA-N 384.277 3.966 0 40 GHAB O=C1C(=O)N(c2cccnc2)[C@H](c2ccccc2Cl)[C@H]1C(=O)c1ccccc1 245015203 LQLIFPNCYWJSQV-RBUKOAKNSA-N 390.826 3.891 0 40 GHAB CCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1CCc1ccccc1 4087394 PPYPWMGRNBUTDK-UHFFFAOYSA-N 396.516 3.571 0 40 GHAB CCC(=O)N1N=C(c2cccc(NS(=O)(=O)CC)c2)C[C@@H]1c1ccccc1C 4148359 HAQJTLIEAJWNKX-HXUWFJFHSA-N 399.516 3.844 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccc3ccccc3c2)c2ccc(C)cc21 4987928 AHEDCWYFZFKYLL-DEOSSOPVSA-N 389.451 3.741 0 40 GHAB CCCc1cc(O)nc(SCC(=O)NCCC23CC4CC(CC(C4)C2)C3)n1 8867794 RPRJYFYTEDPIGJ-UHFFFAOYSA-N 389.565 3.950 0 40 GHAB Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)c2c1cnn2-c1ccccc1 12228033 NNRKJXAIMOFMDQ-UHFFFAOYSA-N 384.361 3.958 0 40 GHAB COc1ccc(OC)c(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c1 27026818 LMOZTMTVEMKSLX-HXUWFJFHSA-N 396.468 3.816 0 40 GHAB O=C(Cc1ccc(OC(F)(F)F)cc1)N1CC[C@@H](n2cnc3ccccc32)C1 575617700 QKQWHPDYNSKNEJ-OAHLLOKOSA-N 389.377 3.951 0 40 GHAB Cc1c(C)c2cc(Cl)c(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc2oc1=O 2096223 IOCSWEXUJAAYME-NSHDSACASA-N 395.839 3.882 0 40 GHAB biogenic C[C@@H](NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccc(NC(=O)C2CC2)cc1 40088140 PBBXVLZJMCQQJS-ZUOKHONESA-N 395.434 3.545 0 40 GHAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cccnc1N1CCCCC1 40132878 VYJGGJFUAWWOCN-LJQANCHMSA-N 381.476 3.882 0 40 GHAB Cc1cc(Br)ccc1N1C[C@@H](C(=O)Nc2ccccc2F)CC1=O 32796249 IIFZIOQAWIPBQV-LBPRGKRZSA-N 391.240 3.888 0 40 GHAB Cc1ccccc1CC(=O)Nc1ccc(N2CCOCC2)c(Br)c1 41107567 DEGSHWYKOQECOI-UHFFFAOYSA-N 389.293 3.775 0 40 GHAB COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 32863153 PJGINCGENCJWRQ-KRWDZBQOSA-N 395.503 3.669 0 40 GHAB CC(=O)c1c(C)cc(C)c(COC(=O)CCN2C(=O)c3ccccc3C2=O)c1C 32910415 DTGLILNCBUPJFP-UHFFFAOYSA-N 393.439 3.544 0 40 GHAB COc1ccccc1Nc1ncccc1C(=O)N1CCc2ccc(O)cc2C1 52865801 BENSOPSCCHIHCB-UHFFFAOYSA-N 375.428 3.738 0 40 GHAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 103500039 CAKPSHYZGDZOMS-IHRRRGAJSA-N 384.398 3.808 0 40 GHAB CCOC(=O)c1c(NC(=O)CSC2=NCCS2)sc2c1CCCC2 706015 XHSAGBLTWXDJDT-UHFFFAOYSA-N 384.548 3.578 0 40 GHAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1ccncc1 902146 HNFOGVVMAZCDHR-UHFFFAOYSA-N 394.378 3.559 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)NC1CCCC1 905137 KXXRKIRHFWQXSN-UHFFFAOYSA-N 385.537 3.996 0 40 GHAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 956222 GCPOQPWMMYNBCX-FQEVSTJZSA-N 390.443 3.627 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)CSc2nnc(C(C)C)n2CC)c1 1364180 ABKZSYZIDUZQLO-UHFFFAOYSA-N 392.525 3.950 0 40 GHAB COC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)N(C)C)ccc3c2=O)cc1 1448157 IOPZZYFKKTYXIX-UHFFFAOYSA-N 397.383 3.741 0 40 GHAB biogenic COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1Br 1624023 YSOCJYPSQCCGNA-MRXNPFEDSA-N 392.293 3.904 0 40 GHAB COc1ccc(-c2nnc(SCCC(=O)N3CCCCCC3)o2)cc1OC 2223945 UHEBWRRSUPCHOJ-UHFFFAOYSA-N 391.493 3.639 0 40 GHAB COc1cc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)c(OC)cc1Cl 2275854 GPMXYXVRDGSPRY-KRWDZBQOSA-N 379.796 3.656 0 40 GHAB Cc1ccc2c(c1)c1ncnc(N3CCN(c4ccc(F)cc4)CC3)c1n2C 2350023 NVHHLLDKCKOFPH-UHFFFAOYSA-N 375.451 3.896 0 40 GHAB COCCn1c(C)cc(C(=O)CSc2nnc(-c3cccs3)o2)c1C 2620855 DIMWUAPWZHRKSQ-UHFFFAOYSA-N 377.491 3.838 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCc1ccccc1 3259069 FIBBBPNBHUSOPV-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(Cc3c(C)noc3C)C2=O)cc1 3271850 MQIJNGSCMRNNPQ-UHFFFAOYSA-N 389.455 3.904 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1O 3294826 FMQFMBCJUPUYMZ-SOFGYWHQSA-N 395.333 3.615 0 40 GHAB O=c1cc(CSc2nnc(NCc3ccccc3)s2)nc2sccn12 3542804 YYZSCZGARBZGNA-UHFFFAOYSA-N 387.515 3.512 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2OC(F)F)c1 3573396 VGEWSFXMQFOGOO-GFCCVEGCSA-N 377.343 3.675 0 40 GHAB CC(C)(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1 4036064 YHHNOODWKZZJSG-LJQANCHMSA-N 399.516 3.782 0 40 GHAB Cc1nc2cc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)ccc2s1 4496163 XFBBUHKWEJEVQS-UHFFFAOYSA-N 380.878 3.671 0 40 GHAB CCOc1ccc(CC(=O)NC2CC(C)(C)N(C)C(C)(C)C2)cc1OCC 4580996 XFWFVHSWQIAGAN-UHFFFAOYSA-N 376.541 3.794 0 40 GHAB Cc1cccc(C(=O)Oc2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)c1 4677000 VKOGDWQHQLHEJE-UHFFFAOYSA-N 392.436 3.775 0 40 GHAB O=S(=O)(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1cccc(F)c1 5144781 HYPSIUJHNMQTJN-UHFFFAOYSA-N 398.463 3.684 0 40 GHAB O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1ccccc1F 5248922 AVXFPBRTNIJRJV-UHFFFAOYSA-N 381.230 3.590 0 40 GHAB CCOc1ccc(-c2ccc(NC(=O)c3cccc(OC)c3OC)cc2)nn1 5259675 GPALWJSOTCXGHT-UHFFFAOYSA-N 379.416 3.812 0 40 GHAB O=C(C1=COCCO1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 5264922 KDZYYRSUONSOSC-UHFFFAOYSA-N 387.848 3.766 0 40 GHAB Cc1nnc(SCC(=O)Nc2ccc(F)c(F)c2F)n1-c1ccccc1 6045058 QZUAZIXZRXZYFU-UHFFFAOYSA-N 378.379 3.724 0 40 GHAB Cc1ccc(NC(=O)COC(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc1C 6586071 AZOKKPZTHPCCCO-UHFFFAOYSA-N 391.471 3.830 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc3c(c2)OCCO3)c1C 6589849 UZUNDTOBHARHGP-GFCCVEGCSA-N 375.446 3.553 0 40 GHAB O=C(COC(=O)/C=C/c1sc2ccccc2c1Cl)NCC(F)(F)F 6879379 GFPJUGHCVLJNKC-AATRIKPKSA-N 377.771 3.790 0 40 GHAB O=C(COC(=O)COc1ccc2c(c1)CCC2)Nc1ccc(F)c(Cl)c1 6887293 JVYPJNBTJRHCGI-UHFFFAOYSA-N 377.799 3.529 0 40 GHAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c(O)c1 7396631 AARVAWNVMZBWSM-JTQLQIEISA-N 383.322 3.604 0 40 GHAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c3ncsc23)cc1 7599067 HGXSRQHNTCPJIQ-UHFFFAOYSA-N 380.878 3.996 0 40 GHAB Cc1nnc(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)n1C1CC1 7617395 WFRYNTPPXMAKSN-UHFFFAOYSA-N 392.484 3.883 0 40 GHAB COc1ccc(-c2nc(NC(=O)CCN3CCSC3=O)sc2C)cc1 8114668 MRZYGDHQPLPQDP-UHFFFAOYSA-N 377.491 3.625 0 40 GHAB O=C([C@@H](Sc1nnnn1Cc1cccs1)c1ccccc1)N1CCCCC1 8230026 QXJMWPLTAMNXAQ-KRWDZBQOSA-N 399.545 3.629 0 40 GHAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1coc(-c2cccs2)n1 8272943 GIDLKTPKYPDNHL-SFHVURJKSA-N 385.470 3.748 0 40 GHAB CCC[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1 8290529 KYYGDDQYPLMUNI-FQEVSTJZSA-N 386.517 3.994 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)c1csc(-c2cccs2)n1 8404277 UVAZKDQKVOMNJM-UHFFFAOYSA-N 390.486 3.827 0 40 GHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NCCCOC 8478080 YNKGSGUZWZRXBA-FQEVSTJZSA-N 384.476 3.557 0 40 GHAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C(=O)O)c(O)c1 9190516 LWKXIZKZBKMELS-FARCUNLSSA-N 392.205 3.513 0 40 GHAB COc1cccc(CNc2nccn(-c3ccc(Br)cc3)c2=O)c1 10273194 XRNLDVJELNZTHX-UHFFFAOYSA-N 386.249 3.616 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4CCCC4)C3)cc2n1 12276547 UDWBMIJMDWBBNQ-CYBMUJFWSA-N 380.414 3.817 0 40 GHAB CC(C)[C@H](NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1 12328486 POKBRWPJRQRDNJ-REWPJTCUSA-N 393.531 3.851 0 40 GHAB CCCCc1ccc(N2C(=O)CS[C@]23C(=O)N(C(C)=O)c2ccccc23)cc1 12410925 PJCRIBJUSQPDDS-JOCHJYFZSA-N 394.496 3.855 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3ccccn3)cc2N1 12471622 RYVGIINMGRRXLU-UHOFOFEASA-N 393.413 3.953 0 40 GHAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc(-n2cccc2)c1 12517620 MMGGHXSYCRAEAH-LJQANCHMSA-N 389.455 3.638 0 40 GHAB O=C(Cn1c(-c2ccc(F)cc2)cc2cccnc21)N1CCCC[C@@H]1CCO 12669625 FCOFQQYOSMBGOK-LJQANCHMSA-N 381.451 3.606 0 40 GHAB COc1ccc(-c2cc(COC(=O)c3ccc(F)c(F)c3)no2)cc1OC 12726690 NMMOYGZWGLYRNS-UHFFFAOYSA-N 375.327 3.994 0 40 GHAB CC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)nc1-c1ccccc1 12760550 MLVAJWVYANCWAM-HNNXBMFYSA-N 397.500 3.742 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](C)c3cccc(Cl)c3)ccc21 12796662 CACQGOTXDZJIPJ-CYBMUJFWSA-N 392.908 3.679 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2)NC(=O)N1c1ccc2c(c1)OCO2 12820711 HTMQRSWPWDSYAC-HXUWFJFHSA-N 394.427 3.912 0 40 GHAB O=C(COC(=O)/C=C/c1ccccc1OC(F)F)Nc1c(F)cccc1F 12898646 NVHJEGLOAPKTAX-CMDGGOBGSA-N 383.297 3.761 0 40 GHAB COC(=O)c1cccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)c1 15371100 XBWDKPCWRATOGU-LLVKDONJSA-N 378.222 3.642 0 40 GHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)NCCc1ccc(Cl)cc1 15425904 MINOVQYUKOTUPH-UHFFFAOYSA-N 389.864 3.543 0 40 GHAB CN1c2ccccc2C(=O)N[C@@H]1c1ccc(OCc2cn3ccccc3n2)cc1 15502297 LBSPCBRTYKACCG-QFIPXVFZSA-N 384.439 3.792 0 40 GHAB N=C1S/C(=C\c2ccc(OCC(=O)O)cc2)C(=O)N1c1ccc(Cl)cc1 16400237 ZFPZIBQQRMRFON-YMMLTTEXSA-N 388.832 3.859 0 40 GHAB Cc1nc(Cc2nnc(S[C@H](C)C(=O)Nc3cccc(F)c3)o2)cs1 16973844 CGSBTNXLKQLKLB-SECBINFHSA-N 378.454 3.684 0 40 GHAB Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 20461204 PYMQPIPIXODIFF-QFIPXVFZSA-N 395.480 3.834 0 40 GHAB C[C@@H](O)CNCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 22075799 UCWZKVMMNZEHNW-CQSZACIVSA-N 383.319 3.632 0 40 GHAB CN(c1ccccc1C(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 22510760 YAPKSJIIDXTMIU-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CCN(C)CC2)cc1 22582571 BSAJXWQWNMPXAX-IBGZPJMESA-N 389.902 3.506 0 40 GHAB O=C(c1cccnc1N1CCCC1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 24292951 LIHUPAFOJZLVDC-INIZCTEOSA-N 375.476 3.578 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 26116514 CBLDGHZMDJZTDF-AWEZNQCLSA-N 384.567 3.502 0 40 GHAB CSc1cccc(N2C[C@H](C(=O)NCCCOC3CCCCC3)CC2=O)c1 27141589 HNPREMYIZCDOOT-MRXNPFEDSA-N 390.549 3.617 0 40 GHAB CCOc1ccc(Cc2nnc(S[C@H](C)C(=O)O)n2-c2ccccc2)cc1 27517363 WJCUWUDHFVILPC-CQSZACIVSA-N 383.473 3.822 0 40 GHAB COc1ccccc1C(=O)Nc1nc(-c2ccc(Br)o2)ns1 28405031 JKUJCZQJIFGPNF-UHFFFAOYSA-N 380.223 3.822 0 40 GHAB COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCc2cccnc2)cc1 28923193 WHNUZQCGAIPBGA-QFIPXVFZSA-N 389.455 3.874 0 40 GHAB O=C(c1ccc2c(c1)OCCCO2)N1CCC(c2nc3ccccc3[nH]2)CC1 29267974 YVSXTVKRROLSQL-UHFFFAOYSA-N 377.444 3.744 0 40 GHAB C[C@@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc2c(c1)CCCC2 29695907 CEQADQAHOSJIGH-OAHLLOKOSA-N 378.472 3.706 0 40 GHAB CSc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)CCCC4)CC2=O)cc1 31307059 ZESYDPZHNMDPDA-LBPRGKRZSA-N 387.530 3.735 0 40 GHAB CCN(CC)[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)Cc1ccccc1 31653536 OXEXFGVBEIHREM-OAHLLOKOSA-N 392.429 3.508 0 40 GHAB COC(=O)Cc1csc(NC(=O)CCCOc2ccc(C(C)C)cc2)n1 32598922 YCVLXTFEKCVYGF-UHFFFAOYSA-N 376.478 3.780 0 40 GHAB CCOc1ccc(CN(C)[C@@H](C)C(=O)NCc2ccccc2Cl)cc1OC 32797171 PHFILTPPLHMBAI-HNNXBMFYSA-N 390.911 3.884 0 40 GHAB COc1ccc2c(c1)CCCN2C(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C 32848580 PAMSVPAFOAPOSZ-OAQYLSRUSA-N 380.488 3.737 0 40 GHAB CCOc1ccc(-c2nc(CC(=O)N[C@@H](c3nccn3C)C(C)C)cs2)cc1 32931734 QEMNXFYGPZKMSC-LJQANCHMSA-N 398.532 3.998 0 40 GHAB Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)c3cccs3)nc2c1 33067962 XZTCADZJHYYVCD-UHFFFAOYSA-N 391.452 3.896 0 40 GHAB O=C(Nc1ccccc1O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 33752599 PWHYCWFYWKYDMW-HXUWFJFHSA-N 386.407 3.931 0 40 GHAB CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C\c3ccc(OC)cc3OC)NC(=O)CN21 33931341 CAGIDCZCAHBXQS-FJIRUFBNSA-N 392.499 3.903 0 40 GHAB COc1ccc2[nH]cc(C(=O)CN3CCN(c4ccc(Cl)cc4)CC3)c2c1 36006789 ONDHUQMTQMSUGG-UHFFFAOYSA-N 383.879 3.835 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1Br 36821778 OLFHZCWMCBWLFK-UHFFFAOYSA-N 375.222 3.776 0 40 GHAB COc1ccc(-n2nnc(C(=O)N(C)Cc3ccccc3)c2-c2cccnc2)cc1 38487714 FWFDZFOMXNHCGF-UHFFFAOYSA-N 399.454 3.610 0 40 GHAB CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 39757649 DGIYWGANGVBTIJ-UHFFFAOYSA-N 397.494 3.815 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)C1=Cc2cc(Cl)ccc2OC1 40017875 QXXAPEDXTJUWBB-UHFFFAOYSA-N 379.847 3.677 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cn1 40073465 UQQQKOOQNQTXQU-HNNXBMFYSA-N 394.258 3.640 0 40 GHAB Cc1ccccc1-c1csc(NC(=O)C2CCN(c3ncccn3)CC2)n1 40133852 QIDNYICDPCLNKB-UHFFFAOYSA-N 379.489 3.764 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)C1CCCCC1 44884782 YSZUAKQRLBOOCJ-UHFFFAOYSA-N 378.538 3.574 0 40 GHAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1ccc(-c2ccc(F)cc2)s1 46424278 XFDHAXOBINBWPE-MRXNPFEDSA-N 382.464 3.743 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2nnn(-c3ccc(C)c(F)c3)c2C)cc1OC 51317736 RXGNOCNSKDAIQR-CYBMUJFWSA-N 398.438 3.531 0 40 GHAB COC(=O)c1sc(NCC2(c3ccc(F)cc3)CCOCC2)nc1Cl 54981878 QKZGHEASHIGHSF-UHFFFAOYSA-N 384.860 3.883 0 40 GHAB CNC(=O)COc1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 55857222 DOPOGZYZMVTMTA-UHFFFAOYSA-N 390.439 3.534 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(N2CCOC2=O)ccc1F 56210873 CQOHEHFNMPEIKS-UHFFFAOYSA-N 381.363 3.998 0 40 GHAB CCCn1c(SCC(=O)N[C@@H]2CCc3ccccc32)nc2ccsc2c1=O 57425384 HWJIIXOSTLMJQX-OAHLLOKOSA-N 399.541 3.764 0 40 GHAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ccccc2O)CC1 58167733 PXMAUVYQLMHODD-CYBMUJFWSA-N 394.302 3.848 0 40 GHAB CN(C(=O)Cc1ccc2c(c1)CCO2)[C@@H](c1cccc(F)c1)c1ccccn1 58282083 CWVDONFMPNPYCR-QHCPKHFHSA-N 376.431 3.946 0 40 GHAB COCCN(Cc1ccncc1)S(=O)(=O)c1cc(C)c(Cl)cc1Cl 62018211 QSMYCTRXERDOBU-UHFFFAOYSA-N 389.304 3.534 0 40 GHAB Cc1occc1C(=O)NC1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)CC1 66479408 UEPZULYVUMUMOR-UHFFFAOYSA-N 388.895 3.940 0 40 GHAB COc1cccc(NC(=O)NC[C@H](c2cn(C)c3ccccc23)N(C)C)c1OC 77171679 IMDYDVZXYRPAHZ-LJQANCHMSA-N 396.491 3.620 0 40 GHAB CCSCCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)OC 84812044 YCWJLMQJSKLGBU-UHFFFAOYSA-N 378.321 3.681 0 40 GHAB COc1ccc(C(=O)NC[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)c2ccccc12 96002229 JYUVRDNZZKRQEJ-HXOBKFHXSA-N 388.467 3.798 0 40 GHAB O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)C1CCN(CC(F)(F)F)CC1 96003023 PTPOCEPTKMQJAC-KRWDZBQOSA-N 398.473 3.766 0 40 GHAB CCc1nc(-c2cc(C(=O)NCCc3cccnc3)c3ccccn23)cs1 96154815 LMSSEZDZCAGVJS-UHFFFAOYSA-N 376.485 3.993 0 40 GHAB O=C(/C(=C\c1ccco1)n1nnnc1-c1ccccc1)N1CCCc2ccccc21 96817211 PWBKTRDHWWFVFO-LTGZKZEYSA-N 397.438 3.911 0 40 GHAB CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1c(Br)cccc12 98213800 IBUDXWYSLRHSLK-UHFFFAOYSA-N 381.270 3.670 0 40 GHAB CCn1/c(=N/C(=O)c2ccc(C(=O)OC)cc2)sc2cc(F)cc(F)c21 100909344 ABCWVGYEKCBEPE-UZYVYHOESA-N 376.384 3.529 0 40 GHAB CC[C@H](NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O)c1ccccc1 113966149 FEAVHYQUXAITMU-SFHVURJKSA-N 392.496 3.639 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 138406287 NFWBKBVBDFISGA-UHFFFAOYSA-N 396.468 3.813 0 40 GHAB COc1cccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 219306695 OGXUOJDEILRRJL-LIRRHRJNSA-N 385.460 3.890 0 40 GHAB COc1cccc(-c2noc(CNC(=O)CSCc3cccc(C)c3)n2)c1 222746797 CUYHPRIEHKHWNX-UHFFFAOYSA-N 383.473 3.603 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1cc(OC)c(OC)c(OC)c1 222967765 WSKKLZRTXXHFAZ-QGZVFWFLSA-N 387.476 3.803 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC)c2ncccc12 223253708 CXUVXSZASABMJP-UHFFFAOYSA-N 378.837 3.706 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1C(C)C 223655194 XUDVBDCSNPQKBG-UHFFFAOYSA-N 388.489 3.746 0 40 GHAB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1NC(C)=O 224492150 ZSCSEKZOYLBXTP-LLVKDONJSA-N 382.482 3.546 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)NCc1ccccc1CN1CCCC1 224779710 IASGNMLLTGPELM-UHFFFAOYSA-N 378.925 3.555 0 40 GHAB Cc1nccn1Cc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1 225301218 VMFZAACIZJUUKQ-UHFFFAOYSA-N 389.499 3.718 0 40 GHAB Fc1cc(CNc2ncnc3c2cnn3C2CCNCC2)cc(C(F)(F)F)c1 228922593 LCRHEOUXEICWNF-UHFFFAOYSA-N 394.376 3.521 0 40 GHAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@H](Oc2cccc3cccnc23)C1 238922819 UGIREWJRNJPUAQ-INIZCTEOSA-N 388.876 3.730 0 40 GHAB COc1ccc2cc(C(=O)N3CC[C@@H](c4noc(-c5cccs5)n4)C3)[nH]c2c1 253406955 VISQTXFGQSBQAN-CYBMUJFWSA-N 394.456 3.918 0 40 GHAB COc1ccc(OC)c(C(=O)N2CCCC[C@@H]2c2nnc(-c3cccnc3)o2)c1 257252799 JWEIWRHVZWMVRE-QGZVFWFLSA-N 394.431 3.516 0 40 GHAB COc1ccc(CNC(=S)Nc2nc(C)cc(N3CCCC[C@H]3C)n2)cc1 260715168 MEYBYKYBGCEWAU-OAHLLOKOSA-N 385.537 3.659 0 40 GHAB Cc1nc(Cn2ccnc2[C@@H]2CN(C(=O)C3CC3)Cc3ccccc32)cs1 306126498 DXSHNNLHWVLZOD-LJQANCHMSA-N 378.501 3.580 0 40 GHAB COc1ccc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc1 306130656 JMHUQNWDQOTQOP-LJQANCHMSA-N 391.519 3.718 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2N1Cc1ccc(F)cc1 306135885 PDUYEIZEDZKVJX-FGZHOGPDSA-N 393.437 3.848 0 40 GHAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(C(=O)O)c(Cl)c1 408623811 SFVQVKZSWHAHIK-UHFFFAOYSA-N 383.256 3.747 0 40 GHAB O=C(CSCc1ccccc1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 409350046 SIXTVPFEOCCHPV-GOSISDBHSA-N 394.418 3.807 0 40 GHAB C[C@@H]1[C@H](NC(=O)c2cccc(C(F)F)c2F)CC(=O)N1Cc1ccccc1 529261388 MXUBUFMZSMDGCG-MLGOLLRUSA-N 376.378 3.683 0 40 GHAB COCc1ccc(NC(=O)N[C@@H]2CCO[C@H]2c2ccncc2)cc1C(F)(F)F 626610729 GOPDMAZMKBEFRW-SJORKVTESA-N 395.381 3.899 0 40 GHAB Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 648968136 TURXRRUOTFVTBK-UONOGXRCSA-N 382.895 3.648 0 40 GHAB C[C@@H](CNC(=O)c1cc(F)c2ncccc2c1)c1nc(-c2ccccc2)no1 1137926241 LSFUBZGHJDVPHP-ZDUSSCGKSA-N 376.391 3.957 0 40 GHAB Cc1ccn(CCC(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)n1 1615156823 LBVDMEVORKXNHV-PMACEKPBSA-N 384.499 3.769 0 40 GHAB Cn1nc(-c2ccncc2)cc1CNC(=O)Nc1cccc(C(F)(F)F)c1 1775966380 AXYGTZIITBXVGR-UHFFFAOYSA-N 375.354 3.823 0 40 GHAB CC(C)c1nccc(N2CCC(n3nc(-c4ccccc4)ccc3=O)CC2)n1 1775970633 HDBFXLCRKWAVPB-UHFFFAOYSA-N 375.476 3.665 0 40 GHAB Cn1ccnc1C[C@@H]1CCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 1848353687 UCCOQMNNHZBUSY-SFHVURJKSA-N 375.472 3.850 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@H]2CN(c3ncnc4ccsc34)C[C@H]2C1 1888906658 DTYODAPJVGRSEI-TXEJJXNPSA-N 391.422 3.678 0 40 GHAB CCOc1ccccc1S(=O)(=O)N1CCC(c2ccc3cccnc3n2)CC1 1888928921 FGXPAOWQTTWRPY-UHFFFAOYSA-N 397.500 3.597 0 40 GHAB Cc1ncsc1CN1CCC(Nc2cccc(F)c2)(C(=O)NC(C)C)CC1 2055739306 QTAQYQOSIYIYTK-UHFFFAOYSA-N 390.528 3.562 0 40 GHAB Cc1cc(C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c(C)n1C1CC1 22777572 PNAPLQBGUALZPB-RMKNXTFCSA-N 377.532 3.954 0 40 GHAB C[C@H](NC(=O)c1csc(-c2ncccn2)n1)c1ccc(OC(F)(F)F)cc1 47211264 VTYDQSWXQSWLPG-JTQLQIEISA-N 394.378 3.990 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)NC1CCN(Cc2ccncc2)CC1 47325108 ISFWDKLHTZCFCK-UHFFFAOYSA-N 378.398 3.887 0 40 GHAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)o1 2493044 HMHUBWLCRHZGRG-HSZRJFAPSA-N 375.424 3.638 0 40 GHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)NC1CCN(c2ccc(F)cc2)CC1 54651987 USDOUDKZBPFQIB-JXFKEZNVSA-N 377.504 3.689 0 40 GHAB CC(C)[C@H](C(=O)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 4360197 NJSDEBIPJDEQOB-SFHVURJKSA-N 385.847 3.919 0 40 GHAB O=C(NCc1ccccc1)NC1(C(=O)Nc2ccc3c(c2)OCO3)CCCCC1 4981818 QPKQQIBOHGIUKE-UHFFFAOYSA-N 395.459 3.556 0 40 GHAB CCCn1nnnc1NCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 7263331 TYYVCFDGDRBQHO-UHFFFAOYSA-N 387.871 3.936 0 40 GHAB C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN3C(=O)Cc3cccs3)sc2C1 55160563 QFBQJIZGQVTBOU-IUODEOHRSA-N 389.546 3.502 0 40 GHAB CC(C)N1CCC(O)(CNC(=O)Nc2sc3ccccc3c2Cl)CC1 84597476 WZHQXHPPFQIOKT-UHFFFAOYSA-N 381.929 3.912 0 40 GHAB CCCN(Cc1ccc(C)cc1)C(=O)c1cccc(N2CCCS2(=O)=O)c1 10126128 NRGZMUBFKCVXGQ-UHFFFAOYSA-N 386.517 3.587 0 40 GHAB O=C(CN1C(=O)COc2ccc(Cl)cc21)NC1CCC(c2ccccc2)CC1 25099330 OFQPPYZSKJRXBC-UHFFFAOYSA-N 398.890 3.908 0 40 GHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)Nc1ccc(N2CCOCC2)cc1 12551978 HOLGMIQZYCRRMC-LZCJLJQNSA-N 386.835 3.557 0 40 GHAB O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccccc1N1CCCCC1 57698847 GZLLBTRBYBRDNE-UHFFFAOYSA-N 396.510 3.577 0 40 GHAB C[C@H](N[C@@H]1CCSc2ccc(F)cc21)c1ccc(S(=O)(=O)N(C)C)cc1 95955779 MZWFGDLAHLBVBG-SCLBCKFNSA-N 394.537 3.964 0 40 GHAB CCC(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@H]1c1cccc(C)c1 97105780 SLNWXGBEOZLEEU-FQEVSTJZSA-N 399.516 3.844 0 40 GHAB O=C1CCCCN1c1cccc(CNC(=O)N2CCC[C@H]2c2ccncc2)c1 56852161 PEATURIRXGNFGP-FQEVSTJZSA-N 378.476 3.645 0 40 GHAB CCc1ccc(C(=O)COC(=O)c2cc(Br)c(O)c(OC)c2)cc1 3287945 XVTVSWXXUIJIKZ-UHFFFAOYSA-N 393.233 3.765 0 40 GHAB Cc1ccccc1CN1CCC(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)CC1 9062551 LQQVXGPYXWRNTF-WOJBJXKFSA-N 385.596 3.691 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1ccc(Br)cc1 3258653 YWRZTZMTJNIHPV-KRWDZBQOSA-N 390.277 3.947 0 40 GHAB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3249156 KCPGMVWLKJANIK-SECBINFHSA-N 396.230 3.668 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2cnc3[nH]nc(C)c3c2)cc1Cl 58125846 CHOJGKLSLDEDDO-UHFFFAOYSA-N 385.855 3.654 0 40 GHAB O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccsc1 10220025 UYXVAVSPFGPGPE-UHFFFAOYSA-N 380.425 3.659 0 40 GHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCNC(=O)c1ccncc1 44910694 STNZFOZDTFRPIK-UHFFFAOYSA-N 397.862 3.774 0 40 GHAB O=C(Cc1csc(-c2ccccn2)n1)NCc1ccc(OC(F)(F)F)cc1 12759466 RAJDATRWFDYXLJ-UHFFFAOYSA-N 393.390 3.963 0 40 GHAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(CCOc2ccc(Cl)cc2)CC1 58440730 WWRGUONOYPSZIZ-HNNXBMFYSA-N 392.931 3.778 0 40 GHAB Cc1cccc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)c1C 36390596 VRGPXRKUMZTGJB-MRXNPFEDSA-N 390.281 3.804 0 40 GHAB Clc1ccccc1Cn1cc(CNCCN2CCOCC2)c2ccccc21 28428238 MFKXKSHAEAKUES-UHFFFAOYSA-N 383.923 3.765 0 40 GHAB CCNC(=O)c1ccc(CNCc2cc3cnn(C(C)C)c3nc2Cl)cc1 95361044 GMOKGNGQZBUWIP-UHFFFAOYSA-N 385.899 3.705 0 40 GHAB O=S(=O)(c1cccs1)N1CN(C2CCCC2)c2nc3ccccc3nc21 2400480 BZVKNJYMXBRLQU-UHFFFAOYSA-N 386.502 3.607 0 40 GHAB Cc1cc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)n(C)n1 59593001 VMUCAOGAOCEIGF-UHFFFAOYSA-N 385.471 3.853 0 40 GHAB CC(=O)c1sc(NC(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)nc1-c1ccccc1 46130449 BOXDDQXVMAOQJT-MRXNPFEDSA-N 399.516 3.846 0 40 GHAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc2ccccc2c1 12822270 IHFFLTASGRUXOL-UHFFFAOYSA-N 396.468 3.582 0 40 GHAB O=C1CC[C@]2(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)Sc3ccccc3N12 12853800 UPYSXEQMVMKAOD-QGZVFWFLSA-N 390.367 3.576 0 40 GHAB COc1cccc(-c2noc(CNC(=O)CSCc3ccc(C)cc3)n2)c1 95482226 ZBASWNGAJBAFFI-UHFFFAOYSA-N 383.473 3.603 0 40 GHAB C[C@@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)c1cc2ccccc2o1 12999163 GUHIBCHCAYAMCI-OAHLLOKOSA-N 378.428 3.816 0 40 GHAB COc1ccccc1CCNC(=O)c1cc(C)nc2c1cnn2C1CCCC1 71283561 AYWUZUHMAIMMMG-UHFFFAOYSA-N 378.476 3.836 0 40 GHAB Fc1cccc(-c2ccc3c([C@H]4CN(Cc5ccccn5)CCO4)nnn3c2)c1 306131517 KHJYALGPDTTWQX-OAQYLSRUSA-N 389.434 3.504 0 40 GHAB O=C1C[C@@H](c2ccccc2)N(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCN1 65489470 XLCIYAADSIYHIA-INIZCTEOSA-N 393.365 3.680 0 40 GHAB COc1cc(C)c(NC(=O)[C@H](NC(=O)Nc2ccccc2)C(C)C)cc1OC 14094549 BLSJPMOBIMNNAE-LJQANCHMSA-N 385.464 3.797 0 40 GHAB Cc1ccc2nc(CNc3cc(Cl)ccc3C(=O)N3CCCC3)cc(=O)n2c1 42740372 XDGZCLRVGYQJAZ-UHFFFAOYSA-N 396.878 3.504 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 5671682 FTUMCDCZHXDRFC-UHFFFAOYSA-N 380.322 3.912 0 40 GHAB CCOC(=O)c1sc2nc(C)nc(SCC(=O)OC(C)(C)C)c2c1C 6787827 BIYPAFRWVUINLD-UHFFFAOYSA-N 382.507 3.919 0 40 GHAB CCOC(=O)c1cccc(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)c1 4873094 DVMKCPDTYSPMIA-RJYAGPCLSA-N 388.508 3.769 0 40 GHAB Cn1ncc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1-n1cccc1 72401066 YNFRIFJPPODTMA-UHFFFAOYSA-N 379.851 3.544 0 40 GHAB COc1ccc(CC(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc1OC 6908336 ASHKKDDJQRYRHQ-QGZVFWFLSA-N 399.516 3.733 0 40 GHAB O=C(NCc1ccc(F)cc1)N1CCCC[C@H]1c1nc(-c2ccncc2)no1 67350692 ZYBACRNWOJQCAS-KRWDZBQOSA-N 381.411 3.708 0 40 GHAB COc1cc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc(OC)c1OC 15571551 ATFAPPLTBBPCQT-GFCCVEGCSA-N 377.824 3.556 0 40 GHAB CCOC(=O)c1oc2ccc(Br)cc2c1CSc1ncn[nH]1 7603550 RILLMXKISWFDQY-UHFFFAOYSA-N 382.239 3.782 0 40 GHAB O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccc(Cl)s1 7782731 IPWAPEYSSOEBFY-QGZVFWFLSA-N 393.873 3.756 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1SCC(=O)Nc1ccc2c(c1)OCO2 7912826 OIBKUWHHDZSDJF-UHFFFAOYSA-N 381.457 3.949 0 40 GHAB COc1ccccc1CC(=O)Nc1cc(Cl)ccc1Sc1nncn1C 9501181 CLKREHPRCBWHBG-UHFFFAOYSA-N 388.880 3.810 0 40 GHAB c1ccc(-n2nnnc2CN2CCCC[C@H]2c2nc3ccccc3s2)cc1 8342147 VUMVXTXVHAGSMX-KRWDZBQOSA-N 376.489 3.999 0 40 GHAB C[C@@H](CC(=O)OCC[C@@H]1CCN(Cc2ccccc2)C1)NC(=O)C1CCCC1 95467969 YODSAMQVNOGPEJ-ICSRJNTNSA-N 386.536 3.527 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2c(C)oc(C)c2C)c1C 8420394 BTWIWCVNORPWAG-AWEZNQCLSA-N 375.421 3.755 0 40 GHAB CC(C)c1ccc(-n2nnnc2SCc2nc(N)c3ccccc3n2)cc1 18338572 DFDYBYLLFKFELR-UHFFFAOYSA-N 377.477 3.603 0 40 GHAB CCCCc1ccnc(NC(=O)NCc2nccn2CCCc2ccccc2)n1 95446379 GZXVBCXCKPRRAU-UHFFFAOYSA-N 392.507 3.970 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H]1c1nc2ccccc2s1 9867814 CHRKZUYOOMBISA-OAHLLOKOSA-N 379.441 3.568 0 40 GHAB CCO[C@@H]1CCCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 72289632 OZRFGNWKWBOUPL-NHCUHLMSSA-N 387.568 3.670 0 40 GHAB CC(C)(C)OC(=O)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)C(F)(F)F 409333835 DMDVKXVEDUJROQ-AWEZNQCLSA-N 380.313 3.918 0 40 GHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1OC 22523159 FJFHGGYGDVFHPF-UHFFFAOYSA-N 382.460 3.511 0 40 GHAB Cc1ccnc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 306130832 JQTJOZCDCLHADZ-LJQANCHMSA-N 398.470 3.515 0 40 GHAB CN1CC2=C(NC(=S)N[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 55174859 RSSCIJGJORVHLT-JVVYVMHDSA-N 383.467 3.767 0 40 GHAB COc1ccc(-c2noc(CN[C@]3(Cc4ccc(Cl)cc4)CCOC3)n2)cc1 502597554 VZHORHNHHRARID-NRFANRHFSA-N 399.878 3.890 0 40 GHAB COc1ccccc1C(=O)NC(=S)Nc1ccc(Cc2ccncc2)cc1 38142896 SKSLNXILBSAHLQ-UHFFFAOYSA-N 377.469 3.808 0 40 GHAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 409236158 ROMOLLSIQRUQDS-CALCHBBNSA-N 398.528 3.797 0 40 GHAB O[C@H](COc1ccccc1Cl)CN1CCN(c2ccccc2Cl)CC1 31666682 OGBDGIFZAPGRAY-HNNXBMFYSA-N 381.303 3.555 0 40 GHAB CC(=O)N1CC2=C(C1=O)[C@@H](c1cccc3cccnc13)c1c[nH]c3cccc(c13)N2 1547139702 YCTKVVOUJBEZFC-FQEVSTJZSA-N 394.434 3.916 0 40 GHAB biogenic COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)c1cccc2ccccc12 70636170 AERLNSFMDOKKAF-QGZVFWFLSA-N 391.876 3.514 0 40 GHAB C[C@H](Sc1nnc(-c2cc3ccccc3o2)n1C)C(=O)Nc1cccnc1 72191622 MAHPPPRFNRNHIH-LBPRGKRZSA-N 379.445 3.743 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 225440949 JGEIWMIPYHQJDA-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB CC(C)CSc1nnc(NC(=O)c2ccc(CN3CCCC3=O)cc2)s1 225041375 SJMIAAGUTXSBTI-UHFFFAOYSA-N 390.534 3.661 0 40 GHAB CCc1ccc(CC)c(CNS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1 224472480 FZBUYTUAEMIMPY-UHFFFAOYSA-N 395.908 3.730 0 40 GHAB CSc1nnc(NC(=O)CSCc2ccc(Br)cc2)s1 225729484 UGAZNQIUMJUPLT-UHFFFAOYSA-N 390.353 3.894 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225184423 HTRCGUSPLPGCTN-OAHLLOKOSA-N 390.936 3.986 0 40 GHAB COc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cc1OC 225919680 SYKDOKRGEJRHQN-UHFFFAOYSA-N 375.396 3.533 0 40 GHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 225496278 YCCAXZWIAXBCCZ-PMACEKPBSA-N 392.484 3.594 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)cc1 223982469 FRNFRWGDSPZXSS-WOJBJXKFSA-N 391.500 3.556 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 222400587 IIBUUWLKPMORJH-GOSISDBHSA-N 384.545 3.949 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1 225719755 ZOGSSVBISUHWDV-OAQYLSRUSA-N 382.504 3.706 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 225061025 KZNGVKALKATLPM-FQEVSTJZSA-N 396.531 3.832 0 40 GHAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44938305 SYPYCYLTBNZWNO-SFHVURJKSA-N 395.478 3.803 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cc1ccc(OC)c(OC)c1 96222423 CJJXYRQRVQZXCQ-IBGZPJMESA-N 394.471 3.930 0 40 GHAB biogenic C[C@H]1CN(C(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)C[C@@H](C)O1 96147662 XHLXYNLONBWICB-GASCZTMLSA-N 394.450 3.538 0 40 GHAB COc1cccc2cc(C(=O)N3CC[C@H](c4noc(-c5ccco5)n4)C3)oc12 253473150 RTTPPIAGCLOGAW-ZDUSSCGKSA-N 379.372 3.714 0 40 GHAB O=C1CC2(CCCC2)C(=O)N1CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 26618600 PWIGSVVXIKJUHC-UHFFFAOYSA-N 380.410 3.947 0 40 GHAB CCCCOc1ccccc1C=c1sc2nc(-c3ccccc3C)nn2c1=O 254854774 RFBVLFCDVJXOBO-UHFFFAOYSA-N 391.496 3.853 0 40 GHAB O=C(Cn1ccnc1)N1CCC[C@@H]2[C@H]1CCCCN2Cc1ccc(Cl)cc1 257253748 KACXOZWUXODWRS-WOJBJXKFSA-N 386.927 3.582 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@](O)(c1ccoc1)c1cccs1 253471093 AZXABYITKDVCIW-KRWDZBQOSA-N 397.905 3.517 0 40 GHAB CN([C@H](C(=O)Nc1ccccc1-c1ccccc1)c1ccccc1)S(C)(=O)=O 260798272 QYZJBKSCYHASDY-NRFANRHFSA-N 394.496 3.925 0 40 GHAB COCCOc1ncccc1NC(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 626358445 LCJHLTHLSHEPQH-OAHLLOKOSA-N 391.418 3.797 0 40 GHAB CC[C@H](NC(=O)Nc1ccnn1[C@@H](C)CC(C)C)C(=O)NCc1cccs1 646354828 RAADSDQMIDTBDH-HOCLYGCPSA-N 391.541 3.768 0 40 GHAB O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)c2cc(Cl)c(O)cc2o1 54106031 VNVJZZDWLDQIDT-UHFFFAOYSA-N 388.826 3.613 0 40 GHAB biogenic Cn1cc(NC(=O)N[C@](C)(CO)c2cc(Cl)cc(Cl)c2)c(C2CC2)n1 653201202 DRKONBGKHINUPL-QGZVFWFLSA-N 383.279 3.634 0 40 GHAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cn(C)nc1C(F)(F)F 682103417 URJADKVPDIRDAK-CYBMUJFWSA-N 381.402 3.701 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@@H](C)C2)C3)cc1F 585104554 QDFVENMSQUKVPV-XLIONFOSSA-N 388.527 3.877 0 40 GHAB Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccn(C)n3)cs2)cc1 585295415 YOFQWJYTEKNGQH-SFHVURJKSA-N 381.505 3.774 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 40105925 PRHAGOQBIBWZOS-FRRDWIJNSA-N 392.348 3.801 0 40 GHAB Brc1ccc(C2(c3nnc(-c4cccnc4)o3)CCOCC2)cc1 84425264 MRSLCHDHEZFJQC-UHFFFAOYSA-N 386.249 3.991 0 40 GHAB COc1cccc(CCC(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)c1 11867267 MLBUYUFYENJWFR-UHFFFAOYSA-N 389.499 3.833 0 40 GHAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)cc1 12188054 CDDRKVARMNPTAN-SFHVURJKSA-N 382.485 3.812 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@@H](C)C(=O)c1ccc(C)cc1)(C3)C2 13097466 MYRKKIZSNCQSRB-UIBZDJLNSA-N 383.488 3.585 0 40 GHAB Cc1cc(C)cc(C(=O)N[C@@H](c2ccncc2)[C@H]2N=C(c3ccccc3)OC2=O)c1 13221054 PJBOZNLUGFDVBU-LEWJYISDSA-N 399.450 3.542 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)cc1 13676359 ASAHCRRZSDPRLS-OAHLLOKOSA-N 393.505 3.922 0 40 GHAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc21 13688404 JOBBOGWDGUVMSB-UHFFFAOYSA-N 385.467 3.915 0 40 GHAB O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(Cc2ccc(-c3ccccn3)cc2)C1 15674474 PICGJTAZICDVBT-CTNGQTDRSA-N 399.454 3.502 0 40 GHAB biogenic,in-vitro CCS(=O)(=O)N1CCCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 17316470 NHPFUZHKVGJULG-UHFFFAOYSA-N 378.881 3.695 0 40 GHAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 17480387 VALMFUIGTQTNOU-QGZVFWFLSA-N 384.304 3.951 0 40 GHAB Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)COc1ccccc1 19239572 GKFRHJRUILXKOX-FQEVSTJZSA-N 376.460 3.913 0 40 GHAB CC(C)Oc1cccc(CN2CCc3nc([C@H]4CCCCN4C)ncc3C2)c1 19450893 ZRALYEXEBQLCPX-JOCHJYFZSA-N 380.536 3.979 0 40 GHAB CCCC(=O)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)NCC)C1 19501242 NMBQDYCPZFYOKV-DEOSSOPVSA-N 393.531 3.836 0 40 GHAB Cc1nn(C)cc1C(=O)NC1CCN(C[C@H](c2ccccc2)C2CCCC2)CC1 19583602 BUBKQVRNYFBXAC-HSZRJFAPSA-N 394.563 3.897 0 40 GHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)c(C)s2)cn1 19666640 FEKKJZSDDBGDBM-UHFFFAOYSA-N 383.429 3.546 0 40 GHAB O=C(CCc1cccc(Cl)c1)NCC1CCN(C2CCSCC2)CC1 245174469 YNVTWPJCCVMHET-UHFFFAOYSA-N 380.985 3.996 0 40 GHAB COCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21 3499269 NMIKBEJFJWXRAW-UHFFFAOYSA-N 383.473 3.616 0 40 GHAB Cc1nc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc(C(F)(F)F)n1 1888890715 MGWXYOGSPJKYCB-GFCCVEGCSA-N 390.365 3.965 0 40 GHAB Cc1nc(C)c(C)c(OCC2CCN(c3nccn4nc(C5CC5)cc34)CC2)n1 1888914222 AJNXEPRRHIVADD-UHFFFAOYSA-N 392.507 3.617 0 40 GHAB O=C(Nc1ccccc1)c1ccc(CN2CCN(c3ccc(O)cc3)CC2)cc1 22089403 BUBQNNRJURMKEW-UHFFFAOYSA-N 387.483 3.967 0 40 GHAB CC(C)Cc1ccc([C@H](NC(=O)CN2CSCC2=O)c2cccs2)cc1 24111394 MMPJUDNVFKKPLD-FQEVSTJZSA-N 388.558 3.685 0 40 GHAB COc1ccccc1NC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 24367538 RRAMFJSGUPBNLX-UHFFFAOYSA-N 389.883 3.577 0 40 GHAB COc1ccccc1NC(=O)CSc1ccc(-c2sc(C)nc2C)nn1 4392182 AOSVDWONJSZQER-UHFFFAOYSA-N 386.502 3.956 0 40 GHAB CCOc1ccc(CC(=O)N(c2cc(C)cc(C)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 5082447 QURJSPVIIWXKQI-LJQANCHMSA-N 399.512 3.589 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1 5269469 BAILGHMSXPIOMJ-UHFFFAOYSA-N 395.846 3.761 0 40 GHAB CC1(C)COc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2NC1=O 9173305 RBVUTKWUZUXXBX-UHFFFAOYSA-N 398.843 3.637 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1 15391040 TVHRAAROCODNPL-KRWDZBQOSA-N 392.908 3.912 0 40 GHAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 1775968427 NKTIHUAXOLPVKG-ZDUSSCGKSA-N 393.262 3.629 0 40 GHAB O=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1cccs1)C1CCOCC1 206674431 KFPYKCBXVBDRGH-UHFFFAOYSA-N 389.901 3.911 0 40 GHAB CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2)CC1=O 10461976 CCKHBQSLCIWBMZ-SFHVURJKSA-N 393.487 3.834 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)cc1F 40152570 ICTIBUOADCWTNZ-SECBINFHSA-N 385.258 3.715 0 40 GHAB COc1cccc(-c2nc(Cn3cnc4ccc(C)cc4c3=O)cs2)c1OC 40116964 XFJAGLIDTRBRME-UHFFFAOYSA-N 393.468 3.894 0 40 GHAB Cc1cc(C(=O)Nc2cccc(N3CCNC3=O)c2)c(C)n1Cc1ccccc1 40108558 JEHHBNODYZGLCW-UHFFFAOYSA-N 388.471 3.935 0 40 GHAB O=C1C[C@H](N2CCC(CCc3ccc(F)cc3)CC2)C(=O)N1Cc1ccccc1 100227758 USCPGRLDEUWYLL-QFIPXVFZSA-N 394.490 3.798 0 40 GHAB CSc1nc2nc(C)c(CC(=O)N3CC[C@@H](C)c4ccccc43)c(C)n2n1 31782240 YBFLYRWAGAIIMK-GFCCVEGCSA-N 381.505 3.546 0 40 GHAB COc1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1O 20861350 GKZPPDNLCVAQRA-SNVBAGLBSA-N 383.322 3.604 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)OCc1cc(Cl)c2c(c1)OCCO2 32847939 FBUPUECITYNIHN-UHFFFAOYSA-N 376.792 3.516 0 40 GHAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)cc1Cl 21641467 OBUGIFWXJSXYIW-SFHVURJKSA-N 379.287 3.797 0 40 GHAB CCc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCOC)cc1 21782767 JVUURZUPVXHDSP-QFIPXVFZSA-N 391.471 3.845 0 40 GHAB CC(C)NC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)c(Cl)c1 32935305 OJMKRFQSABZYOM-UHFFFAOYSA-N 385.848 3.810 0 40 GHAB Cc1ccc(-c2cnn([C@@H](C)C(=O)Nc3ccc(C)c(Cl)c3)c(=O)n2)cc1 33324604 MBUZSNCDWQNGEP-AWEZNQCLSA-N 382.851 3.775 0 40 GHAB CCC(=O)c1ccc(OCC(=O)NC2CCN(Cc3ccccc3C)CC2)cc1 42127368 VYPQQWPYHWKGLB-UHFFFAOYSA-N 394.515 3.747 0 40 GHAB Cc1ccccc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O 824188 XXZHMQRHGFNZHT-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB Cc1noc(-c2ccc(C(=O)OCc3cc(Cl)cc4c3OCOC4)cc2)n1 22977777 BBNHTWBXQSHOJF-UHFFFAOYSA-N 386.791 3.922 0 40 GHAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccccc1Br 1265595 PUSVSZDQYPCSPL-UHFFFAOYSA-N 393.350 3.878 0 40 GHAB CCCc1nnc(SCC(=O)Nc2nc3ccc(OC)cc3s2)n1CC 1355959 FLBVDDORXQFTBL-UHFFFAOYSA-N 391.522 3.600 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1C[C@@H]1CCCO1 1364607 HOMULWMAVSXTFP-INIZCTEOSA-N 386.521 3.682 0 40 GHAB COCCn1c(SCC(=O)C(C)(C)C)nc2sc3c(c2c1=O)CCCC3 3601010 NGWZLJLYZPKJAJ-UHFFFAOYSA-N 394.562 3.691 0 40 GHAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(-n3cccc3)cc2)cc1 23865107 RPBLUXIXEYRGCM-HSZRJFAPSA-N 389.499 3.589 0 40 GHAB CCc1ccc(C2=Nn3c(Cc4ccc(OC)c(OC)c4)nnc3SC2)cc1 4586133 BODWYAKJNNCFJJ-UHFFFAOYSA-N 394.500 3.807 0 40 GHAB COc1cc(C(=O)N[C@H](C)c2nc(-c3ccccc3C)no2)cc(OC)c1OC 4998397 ZUZSTUFRJGDTES-CYBMUJFWSA-N 397.431 3.562 0 40 GHAB CCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)c1 6242825 ZYCBYQMQADKTCP-UHFFFAOYSA-N 395.503 3.642 0 40 GHAB CC(C)CCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 6325691 ZJPGJDSTTODFQE-UHFFFAOYSA-N 394.924 3.698 0 40 GHAB O=C(O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 7928381 NBEIHNULBJYMSE-LLVKDONJSA-N 393.226 3.683 0 40 GHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1 7940008 PVZSORVGHPOTRZ-UHFFFAOYSA-N 394.349 3.600 0 40 GHAB O=C(NC1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1)c1ccccc1 24815819 FTYOSODHZUSDIV-UHFFFAOYSA-N 379.435 3.875 0 40 GHAB COc1cc(NC(=O)c2cccc(F)c2)ccc1N1C(=O)c2ccccc2C1=O 8111600 AFQUNXYVHBGLHB-UHFFFAOYSA-N 390.370 3.887 0 40 GHAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 8415231 NNAMOLVRLRFGEP-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB COc1cccc(N2CCN(CC(=O)Nc3cccc4ccccc34)CC2)c1 57450623 NSQCFVGESWZDMW-UHFFFAOYSA-N 375.472 3.609 0 40 GHAB CCN(C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccc(F)cc1 25736246 CUPDFHVWEUAJEK-UHFFFAOYSA-N 378.469 3.523 0 40 GHAB Cc1ccc(CNC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)cc1 9593354 JLEQGJGTPUUGCD-INIZCTEOSA-N 396.516 3.672 0 40 GHAB Cc1nc([C@H](NC(=O)c2ccc(F)cc2Br)c2ccccc2)n[nH]1 57797544 LNNMSSJVDOZONA-OAHLLOKOSA-N 389.228 3.534 0 40 GHAB Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1C[C@H]1CCCO1 12620949 QAJZBLNNOSZSHJ-CQSZACIVSA-N 392.550 3.685 0 40 GHAB Cc1nn(CC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)c(=O)c2ccccc12 58213231 OSLSQIPTGOPVDM-HXUWFJFHSA-N 375.472 3.634 0 40 GHAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)OCCCO2 12756158 RSADDWSAWJTXCJ-IBGZPJMESA-N 383.448 3.633 0 40 GHAB CCCCCC(=O)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1 57327792 YETNIFNPDKKXFZ-UHFFFAOYSA-N 382.489 3.961 0 40 GHAB C[C@H](NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1 3379244 RODZUXMJRAGKBF-HNNXBMFYSA-N 392.411 3.566 0 40 GHAB COc1ccc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cccc(OC)c2OC)C3)cc1 100766772 INIHHFYWYVMQGQ-WOJBJXKFSA-N 397.515 3.832 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1C 10669900 TYXVJWDJTQJTTD-UHFFFAOYSA-N 386.517 3.747 0 40 GHAB CC(C)Cn1c(SCC(=O)N2CCc3ccccc32)nc2ccsc2c1=O 36353825 KUVFWPOTJMQILM-UHFFFAOYSA-N 399.541 3.795 0 40 GHAB Fc1cc2c(c(COn3nnc4ccccc43)c1)O[C@H](c1ccccc1)OC2 3371984 KNRGVZMNSVLBHQ-OAQYLSRUSA-N 377.375 3.807 0 40 GHAB C[C@@]1(C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)CC1(Cl)Cl 3385643 WZYPVILHGIRCPR-HNNXBMFYSA-N 383.256 3.536 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 3330297 GPKHNSOKRFAQSS-UHFFFAOYSA-N 398.431 3.571 0 40 GHAB CC(C)c1nc2oc3c(NCCN(C)C)ncnc3c2c2c1COC(C)(C)C2 2365643 SDRCIXYDJLOUKS-UHFFFAOYSA-N 383.496 3.719 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1 55663298 LOHSZPNBPLEDST-UHFFFAOYSA-N 396.896 3.535 0 40 GHAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 100439084 ONBUIYNTGMIXGT-RFBFEFTOSA-N 396.512 3.972 0 40 GHAB CCOc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2Br)C1=O 101276918 NROPXXYMGPDSTB-CQSZACIVSA-N 389.249 3.592 0 40 GHAB O=C(COC(=O)C1(c2cccc(F)c2)CCC1)c1ccc2c(c1)OCCCO2 29020914 SQJQRVCNSHECRT-UHFFFAOYSA-N 384.403 3.835 0 40 GHAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 29051054 JPRVAQFGHIJYMS-QRWLVFNGSA-N 397.906 3.574 0 40 GHAB Cc1ccccc1-n1c(=O)c2ccccc2n2c(SC[C@H]3CCCO3)nnc12 11597665 GUNLMWSSVMNNCX-OAHLLOKOSA-N 392.484 3.613 0 40 GHAB COc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(C)cc4)c3)n[nH]2)c1 28229698 CSLMCXAGIWVHJN-UHFFFAOYSA-N 387.443 3.891 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)c1nn(-c2ccc(F)cc2)ccc1=O 11914137 QDVDVBIEOPUIKY-UHFFFAOYSA-N 377.297 3.643 0 40 GHAB COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)no2)cc1 11905205 WLONBESWJSFKHB-OAQYLSRUSA-N 391.471 3.917 0 40 GHAB O=C1CC2(CCCC2)C(=O)N1CN1CCC(c2nc3ccccc3s2)CC1 12889232 JKZKWDGRLHZRSR-UHFFFAOYSA-N 383.517 3.753 0 40 GHAB CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3ccc(OC)cc3)oc12 12873909 ALSATRBKXQIOMI-CYBMUJFWSA-N 375.446 3.880 0 40 GHAB COc1ccc(CNC(=O)CSc2ccc(Br)cc2)cc1OC 3441533 HPSSMARMMKMUTN-UHFFFAOYSA-N 396.306 3.875 0 40 GHAB O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(S(=O)(=O)N2CCCC2)c1 12905319 HRWNNYVULZCWDZ-YQVWRLOYSA-N 390.549 3.560 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 12912146 RATVCXNHLXKGFD-QMTMVMCOSA-N 383.492 3.587 0 40 GHAB COc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1Br 13002281 FMHAECSAYYGUCD-CYBMUJFWSA-N 383.311 3.552 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 408546177 RFUQHQZCZNIESX-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB Cc1ccc(N2C[C@H](c3nnc(NC(=O)C4CCCCC4)s3)CC2=O)cc1 13944437 GOFRHZRCEPUBLU-OAHLLOKOSA-N 384.505 3.886 0 40 GHAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C2CCCCC2)cc1 5215975 DRMMBFIIQUCHCJ-UHFFFAOYSA-N 383.469 3.762 0 40 GHAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O 14128553 NBCKMTSNJBEHPE-OAQYLSRUSA-N 393.468 3.859 0 40 GHAB C[C@H]1C[C@H]1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 14167573 IVWSGYBULNLIST-OMPMPUQOSA-N 399.299 3.802 0 40 GHAB CC(=O)N1CCC[C@H]1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 14201225 SVPKTLHFTXCDLM-HNNXBMFYSA-N 397.422 3.702 0 40 GHAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(C(=O)O)cc1O 408566927 BMUUOZJITAKZGU-UHFFFAOYSA-N 391.470 3.587 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1ccc(C)cc1 4690938 QDRPEESABGRRDK-UHFFFAOYSA-N 396.472 3.702 0 40 GHAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)n1 4676278 LNHPCVXGAMTOQM-OQLLNIDSSA-N 387.848 3.718 0 40 GHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN(C)C2CCCC2)cc1 14703286 XLNOUGXNSMKNTL-UHFFFAOYSA-N 379.504 3.738 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc(Br)ccc1Cl 5652384 QLSMKMBKVHWCID-YGRLFVJLSA-N 388.689 3.954 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 113967082 XRYKMPIPNZZJGY-SFHVURJKSA-N 388.533 3.727 0 40 GHAB O=C(Nc1cc(CCc2ccccc2)ccn1)[C@@H]1CCCN(c2ncccn2)C1 89832445 ODUAAADWUHEUKT-HXUWFJFHSA-N 387.487 3.512 0 40 GHAB Cc1ccccc1N1C[C@H](C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)CC1=O 8217226 XBYQEMXUYGMSHN-CYBMUJFWSA-N 397.500 3.598 0 40 GHAB O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1ccc(F)cc1 16955663 KLEVUUWZQMUYDB-UHFFFAOYSA-N 398.419 3.775 0 40 GHAB COC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)s1 24456221 AQLZIODFXJQEGG-UHFFFAOYSA-N 385.485 3.887 0 40 GHAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)NCc1ccc(F)cc1 98211344 YNCPQTSRGVWFRW-UHFFFAOYSA-N 376.391 3.661 0 40 GHAB O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1Cc1ccc(F)cc1 67257940 CAUXKMKZCWHDKB-UHFFFAOYSA-N 399.223 3.532 0 40 GHAB COc1cccc([C@@H]2[C@H](C(=O)NCc3ccc(C)c(F)c3)CC(=O)N2C2CC2)c1 95988695 NNFXPZPCUBSBFY-DENIHFKCSA-N 396.462 3.511 0 40 GHAB O=C(N1CCC2(CC1)OCCO2)C1(c2cccc(C(F)(F)F)c2)CCCC1 84364318 OHFIVCKQFQGQHB-UHFFFAOYSA-N 383.410 3.883 0 40 GHAB COc1cccc([C@H]2[C@@H](C(=O)NCc3ccc(C)c(F)c3)CC(=O)N2C2CC2)c1 95988698 NNFXPZPCUBSBFY-UGKGYDQZSA-N 396.462 3.511 0 40 GHAB COc1ccc(OC)c(N2C[C@H](c3nc(-c4ccc(C)cc4F)no3)CC2=O)c1 97377773 ONESSUHIMYTLQS-CYBMUJFWSA-N 397.406 3.722 0 40 GHAB CC(C)c1ccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 113957668 LSURGPZDJUGBCU-ZDUSSCGKSA-N 396.459 3.881 0 40 GHAB COc1cc(Cc2noc([C@@H](c3ccccc3)C3CC3)n2)ccc1S(C)(=O)=O 547110960 GFSLCRJIEIFDOR-FQEVSTJZSA-N 398.484 3.614 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 36663889 RMJNLOWQRFEQEO-GOSISDBHSA-N 394.906 3.838 0 40 GHAB CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2OC)cc1 35289561 MCMSTPUXEJOTGK-GOSISDBHSA-N 383.448 3.729 0 40 GHAB O=C1N[C@@]2(CCc3cc(Cl)ccc32)C(=O)N1Cc1cccnc1C(F)(F)F 530108033 JPBVRKQIPLEPFS-QGZVFWFLSA-N 395.768 3.647 0 40 GHAB Cc1nc(CC(=O)N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cs1 72380375 KXFYHHBMXFGEAJ-HNNXBMFYSA-N 384.480 3.929 0 40 GHAB C[C@H](Nc1nc(NCCO)c2cnn(-c3ccc(F)cc3)c2n1)c1ccccc1 38486261 OEXRMNDLGWTWJM-AWEZNQCLSA-N 392.438 3.532 0 40 GHAB O=c1c2nc(N3CCCC3)sc2c(-c2ccco2)nn1CCc1ccccc1 38489004 LLLARVBKYQLYTP-UHFFFAOYSA-N 392.484 3.956 0 40 GHAB O=C(Nc1ccn(Cc2cccc(F)c2)n1)[C@@H]1CCCN1Cc1ccccc1 32611679 JEKOVFIZMGEQTB-FQEVSTJZSA-N 378.451 3.674 0 40 GHAB CNC(=O)c1ccc(CN(C)C(=O)Nc2nnc(C3CCCCC3)s2)cc1 43602066 RNICKTPZMNULGQ-UHFFFAOYSA-N 387.509 3.609 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 225373445 RZBGRAVYRJEFKT-RTBURBONSA-N 396.531 3.878 0 40 GHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccccc1OC 222828005 GDKNBXCWVLLMLB-HNNXBMFYSA-N 388.895 3.792 0 40 GHAB Cc1cc(C(=O)N2CCCCCC2)ccc1N(C)S(=O)(=O)c1ccccc1 224190806 ZQTIZTSJVVQMSF-UHFFFAOYSA-N 386.517 3.836 0 40 GHAB CC1CCN(c2cc(N3CCCCCC3)nc(NC(=S)NC(C)C)n2)CC1 225888725 QTMYGMXVWNEFKK-UHFFFAOYSA-N 390.601 3.788 0 40 GHAB O=c1sc2cc(S(=O)(=O)Nc3ccccc3)ccc2n1Cc1ccccc1 225738151 GTKMPJGFCSHZSO-UHFFFAOYSA-N 396.493 3.912 0 40 GHAB Cc1cccc(N2CCN(C(=O)COc3ccc4c(c3)CCCC4)CC2)c1C 224342342 JIRODQXTZWRJJD-UHFFFAOYSA-N 378.516 3.910 0 40 GHAB Cc1cc(C(=O)O)ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)o1 222761260 BEPSRPRHGKDBDN-MOPGFXCFSA-N 393.468 3.951 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(F)cc2F)cc1 48341519 SOEORXYEYNMNLX-CQSZACIVSA-N 382.476 3.846 0 40 GHAB CC(C)Oc1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 40640020 DBTBCIPIWJBFBC-UHFFFAOYSA-N 388.489 3.656 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1F 222394093 MCMPHRWUSIZRIZ-INIZCTEOSA-N 388.508 3.531 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1 223723674 XZJMXUFKKZHJRQ-INIZCTEOSA-N 388.895 3.581 0 40 GHAB Cn1cnc2c(-c3cccnc3)nc(C3CCN(Cc4ccccn4)CC3)cc21 96099950 HIDUIBYRBXLFSL-UHFFFAOYSA-N 384.487 3.805 0 40 GHAB CCOC(=O)[C@]1(C#N)[C@H]2C=C[C@@H](C2)[C@@H]1c1ccc(N(C)C)c(Br)c1 140409905 OQHUDYLMEXVWOW-PYNVLSHCSA-N 389.293 3.878 0 40 GHAB CCn1c(CN2CCC[C@@H]2Cc2cccc(OC)c2)nc2cc(C(=O)O)ccc21 580778890 SBWPAQSAOIWTHB-GOSISDBHSA-N 393.487 3.970 0 40 GHAB CNC(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 96053258 WRCMFGOKWCRHOM-SFHVURJKSA-N 382.479 3.863 0 40 GHAB Cc1cc(C)cc(OCc2noc(CN[C@@H]3CCc4ccccc4OC3)n2)c1 585080166 AJWZYHHBYRZOHN-GOSISDBHSA-N 379.460 3.749 0 40 GHAB FC(F)(F)c1csc([C@H]2CCCN(c3nccc(-c4cnccn4)n3)C2)n1 584571018 YLURJDTTXFDDTE-NSHDSACASA-N 392.410 3.793 0 40 GHAB Cc1ncccc1OC[C@H]1CCCN1C(=O)c1ccc(O[C@H]2CC2(F)F)cc1 529498467 XVRZPMFUYBESQB-APWZRJJASA-N 388.414 3.860 0 40 GHAB C[C@@H](NC(=O)NCc1cccnc1N1CCOCC1)c1ccc2ccccc2c1 26385376 MMQWPISAONEDHM-QGZVFWFLSA-N 390.487 3.632 0 40 GHAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1ccc(F)c(Cl)c1 257270762 MVOFGDULVBHKLZ-UUZHKXTQSA-N 380.891 3.722 0 40 GHAB Cc1cnc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)cn1 257270951 MWHAEROJKGOYFS-LJQANCHMSA-N 380.423 3.870 0 40 GHAB C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1ccc(NCC2CC2)nc1 1629849181 AEZFNIQIBVMTSX-AWEZNQCLSA-N 380.467 3.895 0 40 GHAB Cc1cc(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)c2cc(Br)ccc2n1 629136809 JZNJRRPNGPBNRW-SUMWQHHRSA-N 375.266 3.603 0 40 GHAB COc1ccc(S(=O)(=O)NCCc2ccc(-c3ccoc3)s2)cc1F 390831686 UEYDMHVPNVMXLC-UHFFFAOYSA-N 381.450 3.677 0 40 GHAB CC(C)C[C@H](O)C(=O)N1CCC[C@]2(CCCN2Cc2ccc(F)cc2)CC1 585100401 OWRHDWLJQHEVPC-UNMCSNQZSA-N 376.516 3.580 0 40 GHAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2cn3ccccc3n2)cc1 585091727 FOGZGFKMHRQLMO-UHFFFAOYSA-N 385.423 3.875 0 40 GHAB Cc1nc(C)c(Cc2nc(C3(c4ccc(F)cc4F)CCCC3)no2)c(O)n1 568917071 FEEVQROSGOZLNQ-UHFFFAOYSA-N 386.402 3.911 0 40 GHAB O=C(CCNC(=O)c1ccccc1)Nc1ccc(-n2cnc3ccccc32)cc1 11273420 GLBBNDPOXUNBEM-UHFFFAOYSA-N 384.439 3.784 0 40 GHAB Cc1nc(C(=O)NCc2ccc(OC(F)F)cc2)nn1-c1ccc(Cl)cc1 11515760 SRVWDMOMXDVRGC-UHFFFAOYSA-N 392.793 3.761 0 40 GHAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)[C@@H](C)c3ccccc3)C2)on1 12118424 TVIDWDJYRHWQHB-WMZOPIPTSA-N 376.460 3.950 0 40 GHAB OC1CCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccs3)n2)CC1 12185799 LHKLJEGVQJWDTD-UHFFFAOYSA-N 381.457 3.562 0 40 GHAB CCCC(=O)N(Cc1ccccc1)Cc1nc(N(C)C)ncc1-c1cc(C)no1 12242066 FZYPKTBGFPPGBP-UHFFFAOYSA-N 393.491 3.835 0 40 GHAB COc1ccc(-c2cc(CC(=O)NCc3ccc(Cl)cc3)no2)cc1OC 12867737 AYMZZEPABNCEPE-UHFFFAOYSA-N 386.835 3.871 0 40 GHAB Cc1ccc2oc(C(=O)N[C@H](C)c3cc(=O)[nH]c(-c4ccccn4)n3)c(C)c2c1 19220435 NLUQIXATYBOUBS-CQSZACIVSA-N 388.427 3.686 0 40 GHAB C[C@H](CC(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2)n1cccn1 19455416 BIHVFJAETURYKS-YLJYHZDGSA-N 391.471 3.706 0 40 GHAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1 19462982 XQQAUFJSHYMKFJ-MYRUOYEDSA-N 394.490 3.785 0 40 GHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)CC)C1 19498456 CMWITTXHRJCISR-XMMPIXPASA-N 378.516 3.969 0 40 GHAB CCc1ccc2nc3c(cc2c1)CN(Cc1nnnn1C1CCCCC1)CCO3 19523015 IARUHGLDZVEHNN-UHFFFAOYSA-N 392.507 3.684 0 40 GHAB COCCn1cc(CN(Cc2ccccn2)C[C@H]2CCCO2)c2ccccc21 19594205 JEYWPONXMVUXSL-OAQYLSRUSA-N 379.504 3.864 0 40 GHAB COc1ccc(-c2cc3ccccc3oc2=O)c(N(C)C(=O)C(F)(F)F)c1 226358181 QXSBJNHVHCMOAH-UHFFFAOYSA-N 377.318 3.994 0 40 GHAB COc1ccc2cnc([C@@H]3CCCN(C(=O)c4cnc(C)cn4)C3)cc2c1C 12187899 XKMXPBWBTPFKSL-QGZVFWFLSA-N 376.460 3.670 0 40 GHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCc2ccccc21 784654 FDKJOYOKVNWISQ-UHFFFAOYSA-N 376.441 3.899 0 40 GHAB COc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)O 5935913 XDMRMYJYLNVOGA-SOFGYWHQSA-N 379.368 3.575 0 40 GHAB COc1cc(OC)c(N2C[C@H](C(=O)OC3CCCCC3)CC2=O)cc1Cl 21356470 MYJFXAUVBOEPTG-GFCCVEGCSA-N 381.856 3.586 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909320 SQNBLPDBTCLSBP-HSZRJFAPSA-N 396.462 3.672 0 40 GHAB CCOC(=O)C1CCN(Cc2c(NC(=O)c3ccco3)sc(C)c2C)CC1 4276333 NMEAVLPHFWAQOT-UHFFFAOYSA-N 390.505 3.985 0 40 GHAB COc1cc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)cc(OC)c1OC 5409413 SNSOHMIFIFKQKW-UHFFFAOYSA-N 386.835 3.638 0 40 GHAB CCCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccs1 8843921 YPZFRFQRLINXDO-MRXNPFEDSA-N 391.518 3.597 0 40 GHAB CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3)N2C1=O 15783338 YFDFUACREUWHMG-SFHVURJKSA-N 392.484 3.673 0 40 GHAB COc1cccc(CCNC(=O)Cc2cc(-c3cc4ccccc4o3)on2)c1 23127303 ZIQPEUUFFOSFFK-UHFFFAOYSA-N 376.412 3.998 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccnc(-c3cccnc3)c2)c1C 225641533 AOALYMMMVBWOMM-UHFFFAOYSA-N 381.501 3.856 0 40 GHAB O=C(NCc1cn(-c2cccnc2)nn1)c1cccc(Oc2ccc(F)cc2)c1 575618953 RXNPQTDUCWSRNI-UHFFFAOYSA-N 389.390 3.524 0 40 GHAB CCOCc1ccc(CNC(=O)c2ccccc2I)cc1 30124244 QVKVVLNLQKWMKW-UHFFFAOYSA-N 395.240 3.758 0 40 GHAB CC(C)n1ncc2c(C(=O)N(C)C3=NCCS3)cc(-c3ccccc3)nc21 40157916 QZORMDMQMCEODL-UHFFFAOYSA-N 379.489 3.854 0 40 GHAB O=C(Nc1nc2c(s1)CCC2)c1ccc(S(=O)(=O)C2CCCC2)cc1 50294237 NWWHSLOBNLSRPP-UHFFFAOYSA-N 376.503 3.600 0 40 GHAB CC(=O)CC(=O)c1c(C)nn(-c2nc(-c3sccc3Cl)cs2)c1O 100333129 PVFUGJOQMQSHET-UHFFFAOYSA-N 381.866 3.887 0 40 GHAB CCOC(=O)Cn1c2ccccc2n2c(=O)cc(-c3ccc(Cl)cc3)nc12 40484633 LOCRWVQVBHGLSK-UHFFFAOYSA-N 381.819 3.533 0 40 GHAB O=C(CN1CCCC1=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 32882813 FBXKGGGOWQGSFF-UHFFFAOYSA-N 384.386 3.659 0 40 GHAB CCn1c(S)nc2cc(C(=O)N3CCC[C@@H]3c3ccccc3)ccc2c1=O 102675313 LBPOPGUBFJMRIY-GOSISDBHSA-N 379.485 3.682 0 40 GHAB Cc1cccc(/C=C(/C(=O)NCCc2nnc3ccccn23)c2cccs2)c1 32906897 XIFPJMJGNLXZRS-OBGWFSINSA-N 388.496 3.999 0 40 GHAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1csc2ccccc12 52805943 KWKYXBUATQYGKC-GFCCVEGCSA-N 380.473 3.530 0 40 GHAB Cc1ccn2cc(C(=O)N3CCN(Cc4cccc5ccccc45)CC3)nc2c1 22087483 CUNCZLKMSPCLIE-UHFFFAOYSA-N 384.483 3.754 0 40 GHAB Cc1ccc(C(=O)N(CC2CC2)C[C@@H]2CCCO2)cc1I 677200 KMUTZNCMDFAVEK-HNNXBMFYSA-N 399.272 3.631 0 40 GHAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(OC)c(OC)c3)n2C)cc1 687683 HYLCTNDAZFHFNU-DQRAZIAOSA-N 398.484 3.829 0 40 GHAB CCOc1ccc(NC(=O)CSCC(=O)Nc2ccccc2OCC)cc1 646348 RRJWNGFZCMVGHU-UHFFFAOYSA-N 388.489 3.794 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 647481 YQYUBLRXPNKDCF-CYBMUJFWSA-N 386.835 3.508 0 40 GHAB Cc1ccc(C(=O)OCc2csc(CC(=O)NCc3ccccc3)n2)cc1F 22526532 GLWPXRMAUIJDAD-UHFFFAOYSA-N 398.459 3.807 0 40 GHAB COc1ccc(Nc2nc(C(=O)N3CCN(c4ccccc4)CC3)cs2)cc1 819408 FNFKELPELXAONU-UHFFFAOYSA-N 394.500 3.858 0 40 GHAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(C)c2)c1 1343077 QJGFSTQCJQPHDD-LJQANCHMSA-N 380.448 3.588 0 40 GHAB CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccc(C)cc2)c1 1343656 GSBFPFKGDBFRBL-HXUWFJFHSA-N 379.460 3.510 0 40 GHAB O=C(Oc1ccccc1)N(CCO)[C@H](c1ccccc1)[C@@H](O)c1ccccc1 1671917 SZCAVXACQFEDQN-YADHBBJMSA-N 377.440 3.955 0 40 GHAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1F 2410959 XBYOIRZIGINLFX-FQEVSTJZSA-N 394.446 3.819 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)NCCCc1ccccc1 2616753 YLSUJNXJLANVCW-UHFFFAOYSA-N 378.428 3.556 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)OC(=O)C2(c3cccc(F)c3)CCCC2)cc1 2663314 GXALUBJIISHCLS-INIZCTEOSA-N 399.462 3.894 0 40 GHAB COC[C@@H](C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 2799884 HCQAIHCFWLPMPS-NEPJUHHUSA-N 399.438 3.794 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)c(OC)c1OC 3218172 XIUFAUFFOQXJER-UHFFFAOYSA-N 387.432 3.631 0 40 GHAB COCCn1c(SCCCC(=O)c2ccccc2)nc2ccccc2c1=O 3352372 PEUNUCVESCGPGC-UHFFFAOYSA-N 382.485 3.798 0 40 GHAB CCOc1ncccc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 3353064 UFDYDZBMPLAIKG-UHFFFAOYSA-N 377.448 3.718 0 40 GHAB COc1cc(C(=O)OCC(=O)c2ccc(Br)s2)cc(OC)c1C 3520315 CJWHNMXQVARLIK-UHFFFAOYSA-N 399.262 3.876 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)cc1 4161323 HYRSNHAFIUAJHH-UHFFFAOYSA-N 386.452 3.572 0 40 GHAB O=C(NCc1ccccc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 4723848 PPGABUSDUXLNBS-JOCHJYFZSA-N 392.480 3.984 0 40 GHAB COc1ccc(C(=O)N(c2ccc(C(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 5081694 LCSBMHLKRGKWPQ-LJQANCHMSA-N 385.485 3.776 0 40 GHAB CCOC(=O)c1oc2cc(OC(C)=O)ccc2c(=O)c1-c1ccc(OC)cc1 5342304 NHYKTZSOGOPLQV-UHFFFAOYSA-N 382.368 3.571 0 40 GHAB OCCN(CCO)c1cc(/C=C\c2ccnc3ccccc23)nc2ccccc12 5390385 PBITVDKBJBITDD-KTKRTIGZSA-N 385.467 3.744 0 40 GHAB O=C(CNC(=O)c1ccccc1)OCC(=O)c1ccc(C2CCCCC2)cc1 5715856 OOEBBDMDZRSCEW-UHFFFAOYSA-N 379.456 3.890 0 40 GHAB O=C(Nc1nnc(SCc2ccccc2)s1)[C@@H]1COc2ccccc2O1 6219445 KFZJTTANNKJRIU-HNNXBMFYSA-N 385.470 3.609 0 40 GHAB CCN(CC(=O)NCc1cccs1)C(=O)Cc1csc(-c2ccccc2)n1 6559632 HYLKPFAYMJKOIK-UHFFFAOYSA-N 399.541 3.579 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 6593583 PCAIBQMNHKWXSH-CYBMUJFWSA-N 394.468 3.554 0 40 GHAB CCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 6649306 PLCNBAMJMLIHND-ACCUITESSA-N 382.460 3.886 0 40 GHAB CCOc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)N1CCCCC1 7980882 MHNVGFBIBZMLQU-UHFFFAOYSA-N 382.526 3.635 0 40 GHAB COc1ccc([C@H](CNC(=O)c2ccc(OC)cc2OC)N2CCCCC2)cc1 7990328 NQNXKGIMHIYQBR-NRFANRHFSA-N 398.503 3.669 0 40 GHAB COc1ccc(C[C@@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 8164847 FJWTUKHDZGQNKW-KRWDZBQOSA-N 375.421 3.650 0 40 GHAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(N2CCCCC2)s1 8179864 XLLYSKMBBFVBKZ-PTNGSMBKSA-N 382.441 3.812 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 8241544 VAMGJTYNDQXCNY-RHSMWYFYSA-N 381.501 3.820 0 40 GHAB CSc1ccccc1NC(=O)CN(C)C(=O)COc1ccccc1Cl 8292717 DRASBJVDBDGMRE-UHFFFAOYSA-N 378.881 3.538 0 40 GHAB C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccs1 8341614 DLZBCPILLKBYMH-OAHLLOKOSA-N 389.480 3.997 0 40 GHAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 8691426 VOOAMAVVWYIHRE-INIZCTEOSA-N 376.865 3.956 0 40 GHAB aggregator CCn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nc2sc(C)c(C)c2c1=O 8754606 CUWZEUXCZZHIBU-AWEZNQCLSA-N 391.493 3.553 0 40 GHAB CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(F)cc1 8867762 FJERXDPJQQCNAA-LJQANCHMSA-N 381.403 3.904 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)cc2C)cc1 9237249 ZENZXYLKEJSZTK-RBUKOAKNSA-N 393.516 3.910 0 40 GHAB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2Cl)CC1 10010368 LFZFINNXUZKYGE-UHFFFAOYSA-N 392.286 3.914 0 40 GHAB CCOC(=O)c1sc(NC(=O)CN2CCc3sccc3[C@@H]2C)cc1C 10227255 FOMSVCWSYGTAFU-LBPRGKRZSA-N 378.519 3.853 0 40 GHAB COc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C)Nc2ncnn21 11694804 VFSIWQINXIDRHZ-NXOUGTEYSA-N 397.866 3.598 0 40 GHAB Cc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)on1 12087352 UEGXBEQDUBHUQT-INIZCTEOSA-N 376.460 3.811 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OC 12749534 UEFLBGBLZDCHGI-YLZCUGDYSA-N 394.471 3.594 0 40 GHAB COc1ccc(-c2n[nH]c(NC(=O)Cc3cccc(C(F)(F)F)c3)n2)cc1 12759983 NBIWFWYUKYXYAL-UHFFFAOYSA-N 376.338 3.680 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 12985082 ZUHSVWVYDABVPA-UHFFFAOYSA-N 381.234 3.731 0 40 GHAB O=C(NCCc1nnc2ccccn12)[C@H](Sc1ccccc1)c1ccccc1 13005736 HGZMLPZMWGXGQQ-OAQYLSRUSA-N 388.496 3.922 0 40 GHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N[C@@H]1CCc2ccccc21 13014860 KNOYGZRVTOOKOM-QGZVFWFLSA-N 393.512 3.531 0 40 GHAB CCN(CC(=O)Nc1c(C)cccc1C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13095736 MXAQRFSLXSQHGB-UHFFFAOYSA-N 398.894 3.654 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3ccncc3)cc2n1 13225490 WRPGFNXARQXSRG-OAHLLOKOSA-N 389.381 3.819 0 40 GHAB COc1ccc(-c2nnc3ccc(Oc4ccc(C(C)=O)cc4OC)nn23)cc1 13720325 ACKXHMHGXBUBKQ-UHFFFAOYSA-N 390.399 3.803 0 40 GHAB COc1cccc(NC(=O)COc2cccc3ccc(N4CCCC4)nc23)c1 16960400 OIWGDPQUNUTQQS-UHFFFAOYSA-N 377.444 3.861 0 40 GHAB O=c1cc(C(Br)(Br)Br)[nH]c2ccccc12 17042430 SGQJBPHPQAAALY-UHFFFAOYSA-N 395.876 3.823 0 40 GHAB CCOc1ccc(-n2nnnc2CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 17315303 GBOGJJJYSWAJPO-UHFFFAOYSA-N 394.479 3.680 0 40 GHAB C[C@@H](CN1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1)c1ccccc1 19456123 HSDBRFIPQLBPBP-XOYOTBSWSA-N 375.467 3.784 0 40 GHAB COc1ccccc1CN1CCC([C@@H](NC(=O)C2CC2)c2ccccn2)CC1 19570090 TXCFIMYIWUMDIH-JOCHJYFZSA-N 379.504 3.570 0 40 GHAB COc1ccccc1CC(=O)N1[C@H](Cc2ccccc2)C[C@@H]2NCCCCC[C@H]21 19712878 ZJQDFQKSGNCWCG-XPWALMASSA-N 392.543 3.982 0 40 GHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccccc1C 20151508 ZBEUCBWZLAIRRC-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB COc1cc(NC(=S)NC(=O)c2ccccc2C)ccc1-c1ccc(CO)o1 20151520 TXPYBOJKRNIICS-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB CSCC[C@H](NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1)C(=O)O 20726433 PBDDKNFDOIVISH-INIZCTEOSA-N 392.546 3.799 0 40 GHAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccccc2F)cc1 20732657 YZBFTSBDFVOWPW-KRWDZBQOSA-N 380.379 3.869 0 40 GHAB COc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)N3CCCC3)no2)cc1 21805470 SHFJDMVLMQBZHZ-GOSISDBHSA-N 397.500 3.979 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)Cc2ccco2)cc1 22097454 LKSZPXORKNTCIP-UHFFFAOYSA-N 398.484 3.938 0 40 GHAB O=C(NCc1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 22508770 PJUPEPKXCVPJKS-UHFFFAOYSA-N 390.848 3.664 0 40 GHAB Cc1cc(O)c([C@H](c2cccnc2)N2CCC(C)CC2)c(=O)n1Cc1ccco1 22698311 HNXNZIJBECSYRE-QFIPXVFZSA-N 393.487 3.720 0 40 GHAB COc1ccc([C@@H](CC(=O)OCc2ncc(-c3ccccc3)o2)NC(C)=O)cc1 23058898 QLDMJBFZCYMNJE-LJQANCHMSA-N 394.427 3.661 0 40 GHAB O=C(Nc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1)c1ccco1 23397292 RIDJMAJJFBSRTR-UHFFFAOYSA-N 396.346 3.750 0 40 GHAB CC(=O)Nc1cc(NCC(=O)Nc2ccc(C)cc2Br)ccc1F 24362642 KLEIFKXIBPBFCV-UHFFFAOYSA-N 394.244 3.906 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 24870425 LNNYATGTGAIQAT-UHFFFAOYSA-N 394.496 3.506 0 40 GHAB O=C([C@@H]1CC=CCC1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 24920847 BREXLJCFQSOGFI-QGZVFWFLSA-N 385.508 3.950 0 40 GHAB CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc(C(C)=O)s3)c2)c1C 25988658 TZYKOPVPUSPBFL-UHFFFAOYSA-N 397.456 3.874 0 40 GHAB Cc1nn(CN(C)Cc2ccc(OC(F)(F)F)cc2)c(=O)c2ccccc12 26620062 SXJMYQVOMVKFNI-UHFFFAOYSA-N 377.366 3.693 0 40 GHAB Cc1ccc([C@H](CNC(=O)COc2ccc(C(C)C)cc2)N2CCOCC2)cc1 27581428 FTKWVVNLWNNBHS-QHCPKHFHSA-N 396.531 3.687 0 40 GHAB C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1OC(F)F 28912256 MWCUJPMJNVNYRO-CYBMUJFWSA-N 389.402 3.854 0 40 GHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCO[C@@H](c4ccccc4)C3)c12 30768261 CMUHGMXKRJQTAD-LJQANCHMSA-N 378.476 3.614 0 40 GHAB C[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccc(-n2cncn2)cc1 32738430 BVJSJJHKDHXQFN-MRXNPFEDSA-N 398.470 3.821 0 40 GHAB Cc1cc(N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)nc(C(C)C)n1 32797356 ZOCMEDNJVNNWNE-UHFFFAOYSA-N 384.915 3.532 0 40 GHAB Cc1cccc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c1C 33858460 PUQSXKPXYNIWHU-LDADJPATSA-N 398.459 3.909 0 40 GHAB COc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(C(=O)O)c3)cc2)cc1 36293986 ZBKATECYZDJGSI-UHFFFAOYSA-N 383.425 3.861 0 40 GHAB Fc1ccc(Cl)cc1-c1nnc2sc(-c3n[nH]cc3Br)nn12 36352787 RHPXSFFVOSEJPB-UHFFFAOYSA-N 399.636 3.798 0 40 GHAB COc1cccc(-c2cc(C(=O)Nc3nccs3)c3c(C)nn(C)c3n2)c1 36616565 OCDDVSSVVNOQTQ-UHFFFAOYSA-N 379.445 3.661 0 40 GHAB CC(C)(C)C(=O)Nc1cccc(C(=O)N2CCN(Cc3cccs3)CC2)c1 36686346 SUHGVIXNGWGWHR-UHFFFAOYSA-N 385.533 3.691 0 40 GHAB Cc1cccc2sc(N3CCN(C(=O)c4cc(-c5ccco5)on4)CC3)nc12 36709508 HXPSKUOOKVBJSJ-UHFFFAOYSA-N 394.456 3.815 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCc1cccc2cccnc12 40040049 WKXLNPSFHXELGF-QFIPXVFZSA-N 385.467 3.858 0 40 GHAB Cc1oc(-c2ccccc2)nc1CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 40040173 CCXZBOUAOFSIBL-NRFANRHFSA-N 397.381 3.895 0 40 GHAB Cc1c(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)oc2c1C(=O)CC(C)(C)C2 40115060 XDVHZZLBXQTUNV-UHFFFAOYSA-N 380.444 3.888 0 40 GHAB CC(=O)Nc1cccc2c1CCN(Cc1nnc(-c3ccc(Cl)cc3)o1)C2 54390111 SURSNUYHUXKWGZ-UHFFFAOYSA-N 382.851 3.907 0 40 GHAB Brc1ccc2nc(CNCc3cnc(-c4ccccc4)nc3)cn2c1 55178501 GRRYQPKBVLWWQO-UHFFFAOYSA-N 394.276 3.844 0 40 GHAB Cc1noc([C@@H](C)NC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)n1 65548582 ZSYSKXIHEVXFSS-GFCCVEGCSA-N 383.427 3.598 0 40 GHAB Cc1cccc(C)c1NC(=O)c1nnn(CC(=O)Nc2ccc(Cl)cc2)c1C 67322459 NXFRTYGXFYUEGY-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB COC(=O)c1[nH]/c(=N/C(=O)c2cccc(-n3nc(C)cc3C)c2)sc1C(C)C 72403370 RHMMTNPURIMFGR-UHFFFAOYSA-N 398.488 3.530 0 40 GHAB COc1ccc2[nH]c(=O)c([C@H]3SCC(O)=Nc4c3cnn4C(C)C)cc2c1 95475573 FBNWBTVPYSJPBY-QGZVFWFLSA-N 384.461 3.738 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2[C@H]3NC(=S)N(C)[C@@]2(C)Oc2ccccc23)c(C)c1 100870482 FMEGMANQLUEYOL-WFXMLNOXSA-N 381.501 3.528 0 40 GHAB O=C(CC1CCCC1)NC1CCN(C(=O)c2csc(-c3ccccn3)n2)CC1 108977098 WRRWNAWIMNHORV-UHFFFAOYSA-N 398.532 3.506 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1ccccc1 138597346 CTKZRGNTAQNXDM-FHWLQOOXSA-N 376.437 3.799 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 222382493 USIUKTQXKBYJNB-IBGZPJMESA-N 382.504 3.626 0 40 GHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 223276595 IEZTWTINSQGLHP-SFTDATJTSA-N 397.592 3.922 0 40 GHAB O=C(COc1ccc2c(c1)CCCC2)NCc1nc(-c2ccc(Cl)cc2)no1 223486132 JPYCRYCZVUCQCL-UHFFFAOYSA-N 397.862 3.964 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 224379091 XNJRBJZGVCLFKU-IBGZPJMESA-N 390.886 3.965 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc4c(c3)OCO4)o2)c(OC)c1 224869311 TYFNXNOIELUWPT-UHFFFAOYSA-N 396.399 3.659 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C 225380200 ACRHLIAGQVBABE-RBUKOAKNSA-N 396.531 3.878 0 40 GHAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc2cc(OC)ccc2c1 225500152 HTOHWIBVKYQSRW-LJQANCHMSA-N 390.549 3.781 0 40 GHAB Cc1noc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3F)C[C@H]2c2ccccc2)n1 238884965 PVZCVHZBUQQPHN-FHLIZLRMSA-N 395.434 3.694 0 40 GHAB COc1ncc(CN2[C@H]3CC[C@@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 247822503 DRDUKHPRXXCAAB-ZVZYQTTQSA-N 393.409 3.936 0 40 GHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)CCc4cccnc4)[C@@H]3C[C@H]21 257261588 LHZLGCDKSIDNMI-ZNTQHIFFSA-N 392.499 3.933 0 40 GHAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(Cc2nccs2)C1 257298352 RLIHKISMNIXYFO-HNNXBMFYSA-N 398.536 3.651 0 40 GHAB C[C@H](O)C(=O)O[C@@](CCN1CCCCC1)(c1ccccc1)[C@H]1C[C@H]2C=C[C@@H]1C2 299754617 ATZOURLUNRGDHW-KKYITRMCSA-N 383.532 3.894 0 40 GHAB O=C(c1cccs1)N1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306143519 YELFQXXYQLPUMZ-QGZVFWFLSA-N 389.484 3.873 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 408561079 GJHLYRXLBLEIGJ-UHFFFAOYSA-N 395.912 3.692 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1NC(=O)CC 408696606 CNCOAZPWLRWKHY-UHFFFAOYSA-N 376.478 3.851 0 40 GHAB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\SC(=O)N(c2ccccc2)C1=O 408818195 ZRDAKJWYCUNWJR-BQGMYUGNSA-N 377.425 3.809 0 40 GHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c1 409166476 DVYNQTAYADTDLB-GZTJUZNOSA-N 396.468 3.987 0 40 GHAB C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)C1 525164528 OTZMEYGNQIUBQF-VLIAUNLRSA-N 391.446 3.705 0 40 GHAB CC(C)c1ccc(-c2csc(NC(=O)N[C@]3(C)CCS(=O)(=O)C3)n2)cc1 575426788 ZXEHXYLIEDJJBN-GOSISDBHSA-N 393.534 3.632 0 40 GHAB Cc1nccc(O[C@H]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)C2)n1 575612048 IMQKIUPVNCVCQA-NRFANRHFSA-N 387.483 3.987 0 40 GHAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCC(O)(COc3ccc(F)cc3)CC2)CC1 585285066 CAKQNCUWBUGOQN-CXGRPWHSSA-N 393.543 3.999 0 40 GHAB O=C(c1cccc2c3c([nH]c12)CCCC3)N1CC[C@]2(C1)C(=O)Nc1ccccc12 681752927 QMQFDSJOUDGKQH-XMMPIXPASA-N 385.467 3.783 0 40 GHAB Cc1nc(CN2CCC3(CCCc4cccc(n4)OCCOC3)CC2)cs1 2037978292 NNLOKWDLBYFFGX-UHFFFAOYSA-N 387.549 3.861 0 40 GHAB COc1ccc(CCNc2cnn(-c3ccccc3)c(=O)c2Cl)cc1OC 790673 CQXWQOMTMUMVSK-UHFFFAOYSA-N 385.851 3.558 0 40 GHAB CC(C)C(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12 811921 KKMUINODYKZSRV-UHFFFAOYSA-N 378.428 3.525 0 40 GHAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 991138 RWXXYHIEBDQUAM-UHFFFAOYSA-N 379.522 3.698 0 40 GHAB O=C(CSc1nnc(NC(=O)c2cccc(Cl)c2)s1)NC1CCCC1 1381529 KSOLLHSPPQYBSB-UHFFFAOYSA-N 396.925 3.595 0 40 GHAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccc(N)c3)n2C)cc1 2400928 CAPJTYULPMRGLC-UHFFFAOYSA-N 381.505 3.919 0 40 GHAB Cc1ccc(C)c(CSC2=NCCN2S(=O)(=O)c2ccc(F)cc2)c1 2711624 PKCZXYACMMNWFK-UHFFFAOYSA-N 378.494 3.736 0 40 GHAB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1ccccc1Cl 3246340 ZTIRWIWOVUCUTP-SOFGYWHQSA-N 384.613 3.891 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1OC 3385558 JZKWBZLOSMXNEB-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CSc1nnc2ccccn12 3505604 DXVOFPORDXLZGH-UHFFFAOYSA-N 377.267 3.531 0 40 GHAB C[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc(F)cc1 3510563 CUZWOMAYKKCEND-LLVKDONJSA-N 399.203 3.687 0 40 GHAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 4373479 YXAVXNIVLIOEAV-IBGZPJMESA-N 375.432 3.523 0 40 GHAB Cc1nnc2sc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)nn12 4555438 ROQJAROLPIQYQC-UHFFFAOYSA-N 399.863 3.832 0 40 GHAB Cc1ccc(-n2c(=O)c3c4c(sc3n3c(S)nnc23)COC(C)(C)C4)cc1 4592246 XQJHEGIOYGVYRU-UHFFFAOYSA-N 398.513 3.543 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(C)cc2OC)cc1 4660791 NLTSVGOMLIZPGR-UHFFFAOYSA-N 383.853 3.635 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1N1CCOCC1 4711481 OAOPMXTUIDKDBZ-UHFFFAOYSA-N 396.487 3.860 0 40 GHAB CCc1ccc(NC(=O)CSc2nccn(-c3ccccc3OC)c2=O)cc1 4853138 WFVIAUOHLQDEDM-UHFFFAOYSA-N 395.484 3.534 0 40 GHAB O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)NC1CCCC1 5060349 VHKKBSSINIGJBM-UHFFFAOYSA-N 390.892 3.575 0 40 GHAB CCOc1ccc(-c2nnc3sc(-c4ccc(OC)c(OC)c4)nn23)cc1 5100321 ZSNHNSLNTUBDDF-UHFFFAOYSA-N 382.445 3.936 0 40 GHAB Cc1nc(-c2cccc(F)c2)sc1CCNS(=O)(=O)c1cccs1 5137242 RHTPWEXALMCETI-UHFFFAOYSA-N 382.507 3.840 0 40 GHAB COc1cc(NC(=O)CCCCCn2cnc3ccccc3c2=O)cc(OC)c1 5204059 IQFWWAQFPJQWCN-UHFFFAOYSA-N 395.459 3.613 0 40 GHAB COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@H]1CO2)C[C@H](C(C)C)O4 6256915 DTFARBHXORYQBF-CZAAIQMYSA-N 396.439 3.783 0 40 GHAB biogenic CN(C(=O)COC(=O)c1csc(NCc2ccccc2)n1)c1ccccc1 6373677 BTCDXNQEPGJSPL-UHFFFAOYSA-N 381.457 3.575 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC(C)(C)C)C2CCCCC2)c(C)c1 6456199 FFXGSZGYDUFAIL-UHFFFAOYSA-N 394.581 3.850 0 40 GHAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)[C@@H]1c1cccs1 6875869 BNVAIHJCXCVRCI-PMACEKPBSA-N 398.528 3.544 0 40 GHAB CSc1nc(C)c(CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)c(C)n1 7002753 AMASLAGJVFTYCQ-UHFFFAOYSA-N 387.505 3.547 0 40 GHAB Cc1nnc(S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)O)o1 7365756 CEOZANIFGDZKJO-REZTVBANSA-N 399.428 3.732 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)OCc2ncc(-c3ccccc3)o2)cc1 7990446 ROOFFMBXPAEZKS-UHFFFAOYSA-N 385.441 3.557 0 40 GHAB CC(=O)N[C@H]1C(=O)N(CCOc2ccc(Cl)cc2Cl)c2ccc(C)cc21 8047493 FYLMTTORHKYOJF-GOSISDBHSA-N 393.270 3.905 0 40 GHAB Cc1ccc2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc(=O)n2c1 8310461 GJIWLCCBASZSIW-LJQANCHMSA-N 391.471 3.501 0 40 GHAB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(C(C)C)c2C)C(=O)NC1=S 8334096 GBXAQHBYVPJPAT-LFIBNONCSA-N 397.500 3.526 0 40 GHAB Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)c1C 8417170 JZRMHUJQGCEDFE-UHFFFAOYSA-N 386.423 3.733 0 40 GHAB O=C(C[C@]1(O)C(=O)N(CCOc2ccccc2)c2ccccc21)c1ccccc1 8991358 INYDRTVBGZIIFU-XMMPIXPASA-N 387.435 3.573 0 40 GHAB COc1ccc(N2C(=O)/C(=C/c3ccccc3Br)NC2=S)cc1 9187875 SINHPFNSDPCVFF-GDNBJRDFSA-N 389.274 3.720 0 40 GHAB CCn1cc(C(=O)Nc2nc3ccc(OC)cc3s2)c(=O)c2ccc(C)nc21 9576246 GWSYPDXXZSSGMF-UHFFFAOYSA-N 394.456 3.595 0 40 GHAB COc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c1 9576989 AILSSSOZPXUMRW-KRWDZBQOSA-N 377.444 3.667 0 40 GHAB CCn1c(=O)n2nc(-c3ccccc3)nc2c2c3c(sc21)COC(C)(C)C3 9577350 BYKSLUMPYPAEJU-UHFFFAOYSA-N 380.473 3.644 0 40 GHAB Cc1cccc(OCCNC(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 9756973 QAIDTFDODAICAQ-UHFFFAOYSA-N 396.409 3.952 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCN(c2ccc(-c3cccs3)nn2)CC1 9824973 DEROHFISYAQKRA-UHFFFAOYSA-N 384.892 3.821 0 40 GHAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1ccc(C)c(F)c1 9913313 XPISIHQYIMGQPX-QGZVFWFLSA-N 390.480 3.633 0 40 GHAB O=C(C[C@H]1C(=O)Oc2ccccc2N1C(=O)c1ccccc1)Nc1ccccc1 9926876 GDSWVAPQUHKYQC-IBGZPJMESA-N 386.407 3.650 0 40 GHAB CCOc1cccc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)c1 10119858 ZWUKFFKFOPEJHO-UHFFFAOYSA-N 395.444 3.512 0 40 GHAB CCC[C@H](C)NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10434260 DJUJSTIZIRPVNG-HNNXBMFYSA-N 392.496 3.710 0 40 GHAB O=C(CNc1cc(F)cc(F)c1)Nc1ccccc1C(=O)NCc1ccccc1 10630776 FJROUZWLFGHHKB-UHFFFAOYSA-N 395.409 3.945 0 40 GHAB COc1ccc2cc(CNC(=O)CNC(=O)c3ccccc3Cl)ccc2c1 11125596 HDHSDTOPEYYKPZ-UHFFFAOYSA-N 382.847 3.548 0 40 GHAB COc1cc2c(c(NC(=O)CC34CC5CC(CC(C5)C3)C4)c1OC)C(=O)OC2 12419659 SVKUFNIBSFYZSE-UHFFFAOYSA-N 385.460 3.919 0 40 GHAB COc1ccc(OCc2noc(CN3CCC[C@H]3Cc3ccccc3)n2)cc1 12755814 CTOIQTAYNIEBDM-SFHVURJKSA-N 379.460 3.864 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3cc4cc(C)ccc4nc3C)CC2)cc1 12778694 DMMRWXWWVSMAHK-UHFFFAOYSA-N 389.499 3.818 0 40 GHAB C[C@@H]1CN(Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)C[C@@H](C)O1 12811665 UIXQPCFYVKJGTP-GHMZBOCLSA-N 383.876 3.797 0 40 GHAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2cccc(Br)c2)C1=O 12999433 FQWBLNBMDVEVKO-LBPRGKRZSA-N 389.249 3.592 0 40 GHAB Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccccc4F)s3)CC2=O)cc1 13944273 DVQNQAWNWLPGLC-CYBMUJFWSA-N 396.447 3.758 0 40 GHAB COc1ccc(C(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c(OC)c1 16035536 ZJTFDDXVSYNOGE-OGWOLHLISA-N 378.465 3.865 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2)c(C)c1 16267523 BDPACCRHOYLSAU-UHFFFAOYSA-N 380.897 3.524 0 40 GHAB Cc1ccc(-c2noc(CCC(=O)Nc3cc4c(cc3Cl)OCO4)n2)cc1 16477766 GBDSABOBTCBBCP-UHFFFAOYSA-N 385.807 3.998 0 40 GHAB COc1ccc(CCc2nnc(NC(=O)C3[C@H]4CCCC[C@@H]34)s2)cc1OC 19560668 HEDRVXVCBBQWQG-UUVAVEHKSA-N 387.505 3.715 0 40 GHAB CN1CCN(C(=O)C2CCC2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19589595 UKJKCEIQSOFIDE-OAQYLSRUSA-N 376.500 3.613 0 40 GHAB C[C@H]1Oc2ccc(-c3csc(NC(=O)c4ccccc4)n3)cc2N(C)C1=O 19796666 PKVLVVDLVWXMRW-GFCCVEGCSA-N 379.441 3.806 0 40 GHAB CCn1c(SCc2nnc(-c3ccc(OC)c(OC)c3)o2)nnc1C(C)C 20034448 UEKLXKLNIOAASC-UHFFFAOYSA-N 389.481 3.781 0 40 GHAB CC(=O)N(CCCN1CCOCC1)c1nc(-c2ccc(Cl)cc2)cs1 20097653 OLLJLZJHXVDRRZ-UHFFFAOYSA-N 379.913 3.539 0 40 GHAB O=C(O)CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 20131095 SUYNQTDHTIYGHF-UHFFFAOYSA-N 397.452 3.546 0 40 GHAB COc1ccc(CCNc2ncnc3c2cnn3-c2ccc(C)cc2)cc1OC 20662018 BSMGOVDVTAFKNA-UHFFFAOYSA-N 389.459 3.796 0 40 GHAB COc1ccc(CCC(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1 22067515 RMFYYMNZFZDNGO-UHFFFAOYSA-N 399.472 3.619 0 40 GHAB Brc1cc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc2c1OCO2 22780467 BUWGJYILMKUEMJ-MRXNPFEDSA-N 389.293 3.542 0 40 GHAB Cc1cc(C)cc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3)n2)c1 23138025 JHUDKTLTRZOMEK-UHFFFAOYSA-N 379.485 3.860 0 40 GHAB COc1ccc(CN2CCN(C(=O)Cc3coc4cc(C)ccc34)CC2)cc1F 24002173 ANDVZWIILHLTAG-UHFFFAOYSA-N 396.462 3.776 0 40 GHAB NC(=O)CCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1ccco1 25246400 LIZLBMXDHIHABY-UHFFFAOYSA-N 396.394 3.725 0 40 GHAB O=C(NCc1ccc(Cl)cc1)c1ccc(Cn2cc(Br)cn2)o1 27980874 YEUIMECHEUMESH-UHFFFAOYSA-N 394.656 3.870 0 40 GHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1 28943323 KAYZVKJCQVLZGN-UHFFFAOYSA-N 384.432 3.660 0 40 GHAB CC[C@@H](C)[C@@H](CO)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 30819204 LJWDERSGUITJBL-AUUYWEPGSA-N 379.456 3.905 0 40 GHAB CC1=C[C@@H](CNC(=O)c2ccncc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 30881527 UYWUFKAGQWBPJQ-ACRUOGEOSA-N 383.536 3.679 0 40 GHAB biogenic,in-vitro COC(=O)c1sccc1S(=O)(=O)Nc1ccc2oc(C(C)C)nc2c1 32097678 UGSQEVVJGGYVPZ-UHFFFAOYSA-N 380.447 3.600 0 40 GHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)CCNC(=O)c1ccc(Cl)cc1 32719706 QWTBJNCEIJBODX-UHFFFAOYSA-N 392.858 3.656 0 40 GHAB COc1ccccc1CNC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 32843752 YRARZCYUSIVOBS-UHFFFAOYSA-N 396.487 3.778 0 40 GHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 32909578 PKGFIFWBZBZNQS-SFTDATJTSA-N 395.503 3.900 0 40 GHAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@H](C)c3ccn(C)n3)c12 36614224 HGHTURAXFSCPCH-LLVKDONJSA-N 379.395 3.562 0 40 GHAB CCc1nnsc1C(=O)O[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 40012689 AANUGYTXUUBUAU-QGZVFWFLSA-N 397.456 3.646 0 40 GHAB C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1F 40067827 PYRBHTTVWUDIQB-ZIAGYGMSSA-N 378.469 3.693 0 40 GHAB O=C(CCOc1ccc(Cl)cc1)NCc1ccccc1CN1CCCC1=O 40106566 CHTDKCFWECSZEW-UHFFFAOYSA-N 386.879 3.548 0 40 GHAB COc1cccc(COCC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 40130791 ARARTKYUHSSEDC-UHFFFAOYSA-N 397.471 3.912 0 40 GHAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1nc(-c2ccccc2)oc1C 40159590 XMQWXILZQSFLLD-QGZVFWFLSA-N 378.428 3.952 0 40 GHAB Cc1cc(OCC(=O)Nc2ccccc2C(F)(F)F)nc(N2CCCCC2)n1 44168250 XUTMRBMDXOPGJQ-UHFFFAOYSA-N 394.397 3.812 0 40 GHAB Cc1ccc2c(Nc3ccc(F)c(C)c3)c(C(=O)N3CCOCC3)cnc2n1 49004873 JBEPGPYOSDTJSA-UHFFFAOYSA-N 380.423 3.602 0 40 GHAB Cc1nnsc1C(=O)N1CCC(Oc2nc3c(C)ccc(C)c3s2)CC1 49442637 FQYGMMUCEOXJCW-UHFFFAOYSA-N 388.518 3.757 0 40 GHAB NC(=O)c1ccc(C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)cc1 56240640 WOQUVOCPEAZNDY-UHFFFAOYSA-N 390.226 3.635 0 40 GHAB Cc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccccc2Cl)N2CCCC2)o1 58227723 JKAFOLNSLIGFBJ-WBVHZDCISA-N 376.884 3.962 0 40 GHAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc3nsnc3c2)c1 59294042 LTTPXUZIPWWCTO-UHFFFAOYSA-N 399.501 3.557 0 40 GHAB COC(=O)c1ccc(CSc2nnc(COc3ccccc3Cl)n2C)o1 68889042 PTBGURLRRNFQTH-UHFFFAOYSA-N 393.852 3.719 0 40 GHAB O=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1cc(Cl)ccc1Cl 70925982 KGVLADQCJKKFFU-UHFFFAOYSA-N 392.286 3.671 0 40 GHAB CCN1CCN(c2cc(NC(=O)c3cccc(Cl)c3)c(Cl)cc2N)CC1 72229291 LFVRNOCUOYWVPV-UHFFFAOYSA-N 393.318 3.970 0 40 GHAB Cc1c(C(=O)N[C@@H](C)C(=O)N2CCCCC2)oc2cc(Br)ccc12 72250137 ZLBINVNRGXHPDK-LBPRGKRZSA-N 393.281 3.635 0 40 GHAB O=C(C1CCOCC1)N1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 72362895 VWMQYHLRRPEWRT-INIZCTEOSA-N 385.439 3.541 0 40 GHAB COCC(=O)N1CCC[C@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1 72390238 ZWEHFRIQYNJBSM-NSHDSACASA-N 385.386 3.717 0 40 GHAB O=C(c1occc1COc1ccccc1)N1CCC(OC[C@@H]2CCCO2)CC1 79049475 HZHBQVYIBDTOAM-FQEVSTJZSA-N 385.460 3.659 0 40 GHAB COc1cccc2c1ccn2CCNC(=O)Cn1cc(C(C)=O)c2ccccc21 79479222 YHZFRZXUVWKNCD-UHFFFAOYSA-N 389.455 3.624 0 40 GHAB CN(c1ccccc1NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)S(C)(=O)=O 83869742 LYOYSJYURCLRJD-FMIVXFBMSA-N 398.406 3.753 0 40 GHAB C[C@@H]1C[C@@H](OC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1 95377703 WKXSXVSCBQJGHS-FYCMYIDYSA-N 382.256 3.985 0 40 GHAB Cc1nc(CN2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)oc1C 96000071 DSJHNWWHZZBXJY-KRWDZBQOSA-N 379.464 3.646 0 40 GHAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 96227355 BAONUAJLONKQEZ-WIYYLYMNSA-N 398.894 3.638 0 40 GHAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)C3CCC3)CC2)Oc2ccccc21 96243279 MIPRAGWFIMJLKM-LJQANCHMSA-N 398.547 3.973 0 40 GHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 97145722 JAUVQEVYCDLBLL-HNNXBMFYSA-N 386.496 3.515 0 40 GHAB COc1ccc(-c2nc(CC(=O)NC[C@H]3CCCN4CCCC[C@H]34)cs2)cc1 98031762 FGGYEEZWUMFIRW-YLJYHZDGSA-N 399.560 3.742 0 40 GHAB COc1ccccc1C(=O)NC1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98212821 SSKNTJBQUBLANX-UHFFFAOYSA-N 382.489 3.546 0 40 GHAB Cc1ccc(Nc2nnc(SCC(=O)/N=c3\cc[nH]n3C(C)C)s2)cc1 102406687 BTJWXDCEHVXXME-XSFVSMFZSA-N 388.522 3.520 0 40 GHAB COc1ccc(NC(=O)c2cnn(-c3cccc(Br)c3)c2C)cn1 105940055 XIYAIQZZRDQVJS-UHFFFAOYSA-N 387.237 3.599 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)c1 136690418 NYFJAUGUJCTSDW-LXGCGDOSSA-N 390.439 3.649 0 40 GHAB COc1cc(CNC(=O)[C@H](C)Oc2cccc3ccccc23)cc(OC)c1OC 219043240 ZPGZMJGYLGDNJL-HNNXBMFYSA-N 395.455 3.949 0 40 GHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1cccnc1 222727046 CXKDLIMLVUYCOE-VQTJNVASSA-N 377.517 3.546 0 40 GHAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 224604674 YLOBRLUFBMHVHR-UHFFFAOYSA-N 395.908 3.730 0 40 GHAB Cc1nccn1-c1ccc(CNC(=O)COc2ccc3c(c2)CCCC3)cc1 225354675 ALTFYCBUWDMNCX-UHFFFAOYSA-N 375.472 3.755 0 40 GHAB Cc1ccc(CNC(=S)Nc2nc(N3CCCCC3)cc(C(F)(F)F)n2)o1 225916301 ONRPBXFJORZLLA-UHFFFAOYSA-N 399.442 3.874 0 40 GHAB COc1cc(N2CCCCCC2)nc(NC(=S)NCc2ccc(C)cc2)n1 225942661 QOHMIQPMLUSFKS-UHFFFAOYSA-N 385.537 3.661 0 40 GHAB CCOc1cc(NC(=O)COc2ccc(Cl)cc2)cc2sc(N)nc12 226312537 YEHZGKWNZHPFFW-UHFFFAOYSA-N 377.853 3.948 0 40 GHAB Cc1ccc(OCC(=O)N2N=C3CC[C@H](C)C[C@@H]3[C@]2(O)C(F)(F)F)cc1C 245297253 RVELVPCPWJMFKN-GYOIFBIXSA-N 384.398 3.568 0 40 GHAB CCCCOc1ccccc1C=c1sc2nc(-c3cccc(C)c3)nn2c1=O 254380708 KAYLQHBDABLLMP-UHFFFAOYSA-N 391.496 3.853 0 40 GHAB O=C(c1cnccn1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257333819 YDEXSPOEVNRATC-HNNXBMFYSA-N 382.851 3.729 0 40 GHAB CC(=O)Oc1c(Br)cc(Br)cc1/C=C(\C)[N+](=O)[O-] 408529927 DKPNWEXTOCIADF-ZZXKWVIFSA-N 379.004 3.774 0 40 GHAB O=C1CN(C(=O)CSCc2ccccc2Br)c2ccccc2N1 408564222 TWYYESKTITWICE-UHFFFAOYSA-N 391.290 3.668 0 40 GHAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)o3)C2=O)cc1 409011765 ILFYATDWHKUYRQ-ATVHPVEESA-N 384.457 3.661 0 40 GHAB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O 409088879 LZJDMYJVWOKMMT-AWNIVKPZSA-N 379.199 3.805 0 40 GHAB O=S(=O)(CCc1ccccc1)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 508067542 JRGGCAGUFCMRKH-KRWDZBQOSA-N 382.407 3.933 0 40 GHAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCCc2ccccc21 523049015 XXSWAAYOFFSDFT-XZOQPEGZSA-N 389.499 3.799 0 40 GHAB COc1ccc(CNC(=O)N2CCC([C@@H]3CCCCO3)CC2)cc1OC(F)F 660335726 JBWNZPWAGYUIFY-INIZCTEOSA-N 398.450 3.787 0 40 GHAB O=C(N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 664876318 JERMHWQQGLKYKA-FXBSTXGRSA-N 398.425 3.839 0 40 GHAB COc1ccc(-c2nc(CCNC(=O)c3ccnn3-c3ccccc3)co2)cc1 1542654630 WVNMPMIXAVLGNB-UHFFFAOYSA-N 388.427 3.508 0 40 GHAB O=C(c1ccsc1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@@]21CCOC1 1614940773 VFCCCGADJIWPSI-HSZRJFAPSA-N 396.556 3.893 0 40 GHAB O=C(CC1CCCCC1)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615153284 BJERRFFNIZXURD-QFIPXVFZSA-N 388.483 3.521 0 40 GHAB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)n1 1775970055 ZAKWIMHQFQIHAQ-GOSISDBHSA-N 376.460 3.507 0 40 GHAB O=C(CCc1ccccc1)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889166642 SXEKVQLAVCFRMB-SJLPKXTDSA-N 389.421 3.770 0 40 GHAB COC(=O)c1ccc(Oc2cccc(NC(=O)c3ccco3)c2)cc1C(=O)OC 693048 NJZJTDKPELUBPJ-UHFFFAOYSA-N 395.367 3.897 0 40 GHAB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Br)cc1 1068843 OTNJFEVGOGLZFU-KRWDZBQOSA-N 397.276 3.834 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 1936114 HXIJKURZPVKROP-DHZHZOJOSA-N 379.334 3.909 0 40 GHAB COc1ccc(-c2nc3c4cnn(-c5ccc(Cl)cc5)c4ncn3n2)cc1 2198540 JWIQBANYDFCENT-UHFFFAOYSA-N 376.807 3.792 0 40 GHAB CSc1ccccc1C(=O)c1ccc(CN2CCC3(CC2)OCCO3)cc1 2514726 NGNJUJWKXBEPRA-UHFFFAOYSA-N 383.513 3.978 0 40 GHAB biogenic C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1 2620059 XDVPCOHFEQSNDS-NSHDSACASA-N 395.242 3.922 0 40 GHAB COCCn1c(SCC(=O)Nc2c(F)cccc2F)nc2ccccc21 2623633 OTVVTCZAHMCRQW-UHFFFAOYSA-N 377.416 3.692 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 2657376 BEGOZORLWIHRBY-UHFFFAOYSA-N 398.440 3.851 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2N)cc1 3293578 YEASTEGUCPYTAA-UHFFFAOYSA-N 381.505 3.822 0 40 GHAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(C)c3O)n2)cc1 3302768 LJJKKJHOFRTDSA-UHFFFAOYSA-N 382.441 3.928 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 3342309 GYWWHQCNEODGHS-UHFFFAOYSA-N 375.471 3.587 0 40 GHAB COc1ccc(C(=O)N[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C(C)C)cc1 3354196 OXALCVAMNIGBLX-RTWAWAEBSA-N 380.488 3.643 0 40 GHAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)NC1CC1 3464597 VJWXYQDJJWEPSH-UHFFFAOYSA-N 386.427 3.583 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2ccc(F)cc2)cc1 3512085 UEOYSQLXZOOTCR-UHFFFAOYSA-N 396.509 3.587 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccccc1 4555369 IPEBFXWUCPWVQN-QHCPKHFHSA-N 375.399 3.833 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 4672789 LWWZGCMAAYHUMA-JKSUJKDBSA-N 390.505 3.548 0 40 GHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 4696355 IFUCRFAZRZYWJM-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB Cc1nc2sc3c(c2c2nnc(SCC(=O)OC(C)C)n12)CC[C@@H](C)C3 4848042 MOQHPFNDQDASDX-SNVBAGLBSA-N 390.534 3.816 0 40 GHAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cc3ncc(Br)cn3n2)C1 4870131 VHYZLAGZYHZDME-SJCJKPOMSA-N 377.286 3.533 0 40 GHAB CC(=O)COC(=O)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 6304087 DMTMNXYPOVYIEG-UHFFFAOYSA-N 392.194 3.540 0 40 GHAB CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 6326963 ZHPJWESWDHKUJX-QAPCUYQASA-N 396.443 3.752 0 40 GHAB COc1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2Br)cc1 8058169 NYHXXWKTSDWTTJ-UHFFFAOYSA-N 396.306 3.811 0 40 GHAB O=C(COC(=O)C1CCC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 8069505 KCSUEFKHZLCURR-UHFFFAOYSA-N 384.398 3.978 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(F)cc2)c1 9237713 LXYIODACSHQJCO-MSOLQXFVSA-N 397.479 3.740 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C)c4C)ccn3n2)cc1 9321083 ONEVUPSRBHICII-UHFFFAOYSA-N 386.455 3.727 0 40 GHAB COc1ccccc1NC1=NN=C(c2ccc(N3CCCC3=O)cc2)CS1 9417032 NRUYWWGPUKWURN-UHFFFAOYSA-N 380.473 3.741 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)NCCOc1cccc(C)c1 9602464 SPNJEJBWRHUEGU-UHFFFAOYSA-N 383.492 3.743 0 40 GHAB COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 10029738 LNUMQYJEJNEWJE-UHFFFAOYSA-N 395.480 3.750 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1 11612911 SEYNQCLGIUAABA-SFHVURJKSA-N 396.528 3.598 0 40 GHAB O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2o1 11615618 GQMNUIXFCGKBDY-UHFFFAOYSA-N 392.742 3.594 0 40 GHAB COc1ccc(-c2n[nH]cc2CN(CC2CCC2)C[C@H]2CCCO2)c(OC)c1 11663454 GBPIXSFGIWDFTB-LJQANCHMSA-N 385.508 3.875 0 40 GHAB CC[C@H](C(=O)NCc1noc(-c2ccc(C)cc2)n1)n1cnc2ccccc21 12148353 NWLVUQGLAGZSTK-QGZVFWFLSA-N 375.432 3.662 0 40 GHAB C[C@@H](C(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1)c1ccccc1 12220857 FPRSODSWOQNQQC-HIFRSBDPSA-N 385.418 3.572 0 40 GHAB COc1ccccc1Cn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1N 12372600 UTWFYQIBPNLASL-UHFFFAOYSA-N 388.464 3.716 0 40 GHAB CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 12536083 DQMFKRRFXGSDSS-UHFFFAOYSA-N 382.432 3.684 0 40 GHAB CN(c1ccc(-c2csc(NC(=O)[C@@H]3CC=CCC3)n2)cc1)S(C)(=O)=O 12758522 BJAYBCJZECGDAV-CQSZACIVSA-N 391.518 3.501 0 40 GHAB COC(=O)Cc1ccc(OCC(=O)N[C@H](C)c2cccc3ccccc23)cc1 12785909 MTWUEWZKTNIWEQ-MRXNPFEDSA-N 377.440 3.812 0 40 GHAB O=C1C[C@@H](c2c(F)cccc2Cl)c2c(O)nc3nc4ccccc4n3c2N1 13731081 UEOLMBKCKUXOII-VIFPVBQESA-N 382.782 3.855 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)cc1 14117979 JQDNXUAOOPLIEX-UHFFFAOYSA-N 383.448 3.767 0 40 GHAB C[C@H]1CCCCN1C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 14183034 PAJGMNIDRRKKOQ-AWEZNQCLSA-N 393.325 3.702 0 40 GHAB COc1ccc([C@H](CNC(=O)CNC(C)(C)C)c2c[nH]c3ccccc23)cc1 14235908 GUIBFEAJQNYXSV-IBGZPJMESA-N 379.504 3.813 0 40 GHAB COc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1NC(=O)c1ccccc1 18194874 XHACIKLPOXZIDP-CALCHBBNSA-N 378.428 3.627 0 40 GHAB Cc1cccc(CCNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)c1 19234890 KGCTZBYBVGRZBA-UHFFFAOYSA-N 375.472 3.805 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cn1 19238858 GOPCURMEJUYNJX-GFCCVEGCSA-N 387.390 3.587 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)cc2NC1=O 19462185 CZDOEGVADKBFPY-NWDGAFQWSA-N 383.448 3.797 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)CCc2[nH]nc3c2CCCC3)c(OC)c1 19552118 SIQROYVHXIFIKT-HXUWFJFHSA-N 383.492 3.602 0 40 GHAB COc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 22605095 ZZZBKAQYVQLQFB-UHFFFAOYSA-N 393.512 3.777 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Sc2nccn2-c2cccc(OC)c2)cc1 23050634 HHPZDRLJHZGBIG-OAHLLOKOSA-N 397.500 3.687 0 40 GHAB O=S(=O)(Nc1ccccc1-c1nnc2n1CCCCC2)c1ccc(F)cc1 24345915 WRLCZXIQSQBIHO-UHFFFAOYSA-N 386.452 3.611 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1[nH]c2c(c1C)C(=O)CCC2)c1cccc(OC)c1 25860415 NYYZDDDBTOEMTJ-IBGZPJMESA-N 397.519 3.664 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)Cc2ccc(F)cc2)cc1OC 26233341 GXZKEJZSUPTFFW-QGZVFWFLSA-N 379.453 3.510 0 40 GHAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(Br)cc1 28188470 SZSAWHYCOWUVNY-UHFFFAOYSA-N 378.251 3.833 0 40 GHAB CCCn1c(NC(=O)[C@H](CC)Oc2ccc3c(c2)OCO3)nc2ccccc21 28227245 UHFCZGPNAJTOQV-KRWDZBQOSA-N 381.432 3.971 0 40 GHAB Nn1c(SCc2ccccc2Cl)nnc(Nc2cccc(Cl)c2)c1=O 28535794 YWGZKHJTEFIBDT-UHFFFAOYSA-N 394.287 3.695 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccccc2CN2CCOCC2)o1 32210376 CHXLHXDXBPJACA-SMPOKDMHSA-N 380.488 3.565 0 40 GHAB Cc1nc(CSCCC(=O)NCc2cccc(N3CCCC3=O)c2)cs1 32312400 KRTGWQHTNCLYBJ-UHFFFAOYSA-N 389.546 3.518 0 40 GHAB O=C(NCCCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccco1 32522788 RRNMNZVTDVKJKS-OAHLLOKOSA-N 397.500 3.806 0 40 GHAB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cc2c(F)cccc2s1 32741706 RSLGWRAIVKBUKS-IBGZPJMESA-N 399.443 3.797 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc3c(C)nn(CC(C)C)c3s2)no1 32776176 BOEVIVXWGPWTCQ-GFCCVEGCSA-N 390.465 3.543 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)c1coc(Br)c1)N1CCCC1 32779871 MGAQPSYQYZUAFB-OAHLLOKOSA-N 393.281 3.618 0 40 GHAB COc1ccccc1[C@H](NC(=O)N[C@H](C)CCc1ccccc1)c1nccn1C 32802559 SVCGDQONSZZHDR-UTKZUKDTSA-N 392.503 3.839 0 40 GHAB COc1ccc2cc([C@@H](C)C(=O)Nc3cccc(-c4nnnn4C)c3)ccc2c1 32871806 CASGFSOQPHCCSU-CQSZACIVSA-N 387.443 3.781 0 40 GHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1ccccc1OC(F)(F)F 36705663 XRGUOIUDZHSQQQ-PXAZEXFGSA-N 381.350 3.772 0 40 GHAB C[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)CN1CCCCC1 40157527 QFBFRAQWUIEBLY-INIZCTEOSA-N 385.533 3.852 0 40 GHAB CCc1ccc(-c2n[nH]c(S[C@@H](C)c3nnnn3-c3ccccc3)n2)cc1 41575103 BSABAXMQVARIQL-ZDUSSCGKSA-N 377.477 3.863 0 40 GHAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc(OC)c1OC(C)=O 49546698 PCBGGXQMDZSIFY-ZDUSSCGKSA-N 387.436 3.704 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)nc1)NC1(c2ccc(Cl)cc2)CCC1 51190121 GKJXUKKWJRRXGH-UHFFFAOYSA-N 386.883 3.773 0 40 GHAB CC(C)Cc1ccc([C@H](NC(=O)CCN2CCOC2=O)c2cccs2)cc1 55135226 KHGDPLITZBYISD-FQEVSTJZSA-N 386.517 3.995 0 40 GHAB COc1cc(N[C@H](C)C(=O)Nc2cccc3ncccc23)ccc1NC(C)=O 56162356 ZZQDIHQFJSLICU-CYBMUJFWSA-N 378.432 3.641 0 40 GHAB CC(=O)NCCc1ccc(C(=O)NCCCOc2ccc(Cl)cc2C)cc1 56447876 BBFWFERPICSSGP-UHFFFAOYSA-N 388.895 3.526 0 40 GHAB CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NC[C@H]2CCOC2)cc1 56713893 KPZSSHXZKMOLSY-CQSZACIVSA-N 387.867 3.775 0 40 GHAB CCCn1c(SCC(=O)N2CCCc3ccccc32)nc2ccsc2c1=O 57425112 DUNBIZVNGRUCKE-UHFFFAOYSA-N 399.541 3.940 0 40 GHAB C[C@@H](NC(=O)c1cc(-c2cccs2)nc2ccccc12)C(=O)N1CCCC1 58173627 UIABNFXCAFDIBZ-CQSZACIVSA-N 379.485 3.704 0 40 GHAB C[C@H](NC(=O)c1occc1COc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 58227288 PRRHRORDQXHMFA-ZDUSSCGKSA-N 377.400 3.519 0 40 GHAB CC(C)c1ncc(Cl)c(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)n1 58407523 AFHUEHXLTUNVBM-KRWDZBQOSA-N 386.927 3.895 0 40 GHAB CC(C)c1ccc(-c2nnc(NC(=O)c3ccc4c(c3)NC(=O)CO4)s2)cc1 60678537 LYKYOLJRYUQZHS-UHFFFAOYSA-N 394.456 3.912 0 40 GHAB CCOc1ccc2nc(NC(=O)c3coc(NC(=O)c4ccco4)n3)sc2c1 62023041 SUDPQGJGOCFPMD-UHFFFAOYSA-N 398.400 3.781 0 40 GHAB COc1ccc(Cc2nc3c4cc(F)ccc4ncn3n2)cc1Br 71281842 UZQYZMUTLIQGCF-UHFFFAOYSA-N 387.212 3.779 0 40 GHAB CCCCS(=O)(=O)N1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1 71890653 WMAOWCBMTOLLGS-INIZCTEOSA-N 393.484 3.575 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(Cc3ccccn3)C2)on1 72342925 XLELESCGKQBXSW-KRWDZBQOSA-N 388.475 3.776 0 40 GHAB O=C(Cc1ccccn1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72358854 DRWVBYIABJYOHI-QGZVFWFLSA-N 376.435 3.626 0 40 GHAB Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 72378921 JLRVJVISYZGCKD-SFHVURJKSA-N 378.451 3.664 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(-n2nc(C)cc2C)c1 72406410 XRVTYTZZWYXDIH-UHFFFAOYSA-N 378.432 3.708 0 40 GHAB O=C(O)c1ccc(N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 72414138 STEFBMFWSVVXDX-OAHLLOKOSA-N 387.650 3.923 0 40 GHAB O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCCCC2)nn1 77099893 ZYPFESMGGXONCC-UHFFFAOYSA-N 379.233 3.621 0 40 GHAB COc1cccc(CC(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)c1 77184102 HWWKNLVDDDUGQX-XMMPIXPASA-N 375.468 3.929 0 40 GHAB Cc1nc(-c2ccc(C)c(NC(=O)NC[C@H]3CCN(c4ccccc4)C3)c2)n[nH]1 79021071 PDJALNHURIFHPL-QGZVFWFLSA-N 390.491 3.737 0 40 GHAB O=C(C[C@H]1OCCc2ccsc21)N1C[C@@H](n2cccn2)Cc2ccccc21 89857879 RJKGMIVUNXAMHC-PKOBYXMFSA-N 379.485 3.779 0 40 GHAB Cc1cc2nc(-c3ccc(CNC(=O)[C@H]4CCn5cncc5C4)cc3)[nH]c2cc1C 95972839 IIIXPKNOJBNMHN-IBGZPJMESA-N 399.498 3.922 0 40 GHAB COC(=O)CCCN1CCC(NCc2ccccc2COc2ccccc2)CC1 95986466 WYBTVRGNEMYUOC-UHFFFAOYSA-N 396.531 3.773 0 40 GHAB CC(C)(C)NC[C@@H]1CO[C@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 96075484 OJASWGSLGMGZJF-UZUQRXQVSA-N 381.520 3.634 0 40 GHAB CCN(Cc1ccccc1)C(=O)C1CCC2(CC1)N=C(C)N(CC1CC1)C2=O 96087501 IEVSIGPKPBQPHV-UHFFFAOYSA-N 381.520 3.635 0 40 GHAB Cc1cccc(OC2CCN(C(=O)CSc3nc4ccccc4o3)CC2)n1 96119472 ANDWLISEUKNULO-UHFFFAOYSA-N 383.473 3.693 0 40 GHAB COc1ccc2c(c1)C1(CCN(C(=O)c3ccccc3F)CC1)C[C@@H]2CC(=O)O 96156867 GHMSAORYQXQYAG-HNNXBMFYSA-N 397.446 3.970 0 40 GHAB C[C@H](NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102173128 XQLHWZOQIZDHBW-ABHRYQDASA-N 381.505 3.539 0 40 GHAB O=C(N[C@@H]1CCSc2c(F)cccc21)N(C[C@H]1CCCO1)C[C@H]1CCCO1 107334856 KTIRRUIGGQCONN-IIDMSEBBSA-N 394.512 3.732 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 113940280 FATGPWGCPMSRGU-CYBMUJFWSA-N 396.896 3.532 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C 222586698 QSZGKUWCRLBEFJ-INIZCTEOSA-N 388.508 3.531 0 40 GHAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1ccc2c(c1)OCO2 222656049 DIPQXYLQRYGGET-UHFFFAOYSA-N 399.834 3.710 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1F 223142006 QGHRVWHATWJZOC-JKSUJKDBSA-N 388.458 3.839 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl 223886756 LDXKNCLOGRFADU-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 223896632 BLBURBWMNJRLHI-CABCVRRESA-N 388.961 3.827 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2Cl)ccc1Cl 223898025 KCTSSFUJXLWODD-UHFFFAOYSA-N 388.272 3.601 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 225009454 RCUDAIZNDJNSHJ-IRXDYDNUSA-N 386.467 3.537 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCCCCC2)cc1 225451183 OLQWSMNBFIXJHK-HKWRFOASSA-N 382.460 3.898 0 40 GHAB C[C@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CC3)n2)C1 226003764 IFIPMEQQGUUGPY-AWEZNQCLSA-N 383.521 3.954 0 40 GHAB COc1cc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc(OC)c1OC 226255322 LEZAGUKHEVELDL-CQSZACIVSA-N 399.491 3.926 0 40 GHAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)CC3CCOCC3)C2)nc1 257241008 HWGAKCFIASZCBM-LJQANCHMSA-N 383.492 3.876 0 40 GHAB O=C(c1cccnn1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257263587 LQQYEUOBXBMZQY-OAHLLOKOSA-N 382.851 3.729 0 40 GHAB Fc1ccc(CN2CCO[C@@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)cc1 257275472 NPOLPRXMUIBQID-JOCHJYFZSA-N 399.441 3.883 0 40 GHAB COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(C)=O)CC1 257297462 RHICTNOIANVIMK-SPEDKVCISA-N 395.503 3.504 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2ccc(C)s2)CC1 257298274 RKZZIWIDGKNLSH-MBOZVWFJSA-N 385.533 3.865 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2CN(Cc3ccccn3)C[C@@H]21 306126188 DPCNZDCLKRZQAY-IRLDBZIGSA-N 394.471 3.643 0 40 GHAB CN(c1ccccc1C(=O)NC(c1ccccc1)c1ccccc1)S(C)(=O)=O 408616083 VPGAAZGPQQQFET-UHFFFAOYSA-N 394.496 3.602 0 40 GHAB CCCCCOc1ccc(NC(=O)C(=O)NCc2ccc(OCC)cc2)cc1 408708913 NCJHUNQVRWJOHY-UHFFFAOYSA-N 384.476 3.909 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(O)c(OC)c1 408730169 FXOBQYSAXADEEC-LJQANCHMSA-N 382.416 3.509 0 40 GHAB COc1ccccc1C(=O)Nn1c(CCC(=O)O)ccc1-c1ccc(F)cc1 408970259 DTTZBXMVJLJPIP-UHFFFAOYSA-N 382.391 3.704 0 40 GHAB COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)ccc1O 409055033 XMPKZSHUJWAABB-BOPFTXTBSA-N 389.404 3.655 0 40 GHAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccn3)C2=O)cc1 409329034 CAUZCIKSCCTCFX-BOPFTXTBSA-N 381.457 3.880 0 40 GHAB Cc1ccc2sc(CN3C[C@H](C[C@H]4COCC(=O)N4)c4ccccc43)nc2c1 528507032 VQSGOUZLYPAPPJ-HOTGVXAUSA-N 393.512 3.614 0 40 GHAB O=S(=O)(Cc1noc2ccccc12)N1CC2(CCOCC2)[C@H]1c1ccccc1 557101883 OVKHZIJWAUHELH-HXUWFJFHSA-N 398.484 3.511 0 40 GHAB C[C@H](S[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H](C(N)=O)C1 594909215 CBWQXKCBRIKXRG-MBNYWOFBSA-N 388.455 3.612 0 40 GHAB O=C(N[C@H]1CCc2nc[nH]c2C1)N1CCC(CCc2ccc(F)cc2F)CC1 654567454 LIYNBUAJCSIHES-KRWDZBQOSA-N 388.462 3.600 0 40 GHAB COc1cccc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)n1 2037988486 NELZDMKKPILPIL-QFIPXVFZSA-N 383.467 3.893 0 40 GHAB Cc1ccccc1NNC(NC(=O)c1ccco1)(C(F)(F)F)C(F)(F)F 721338 AJIDXCRZCRYFBM-UHFFFAOYSA-N 381.276 3.755 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(N)cc1 1019432 PZKIUFMJJDHQLN-UHFFFAOYSA-N 381.505 3.895 0 40 GHAB O=C(C[C@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1ccccc1 1320565 IASWUVJCVIWCGC-HSZRJFAPSA-N 375.399 3.833 0 40 GHAB Cc1cccc(-n2ncc3c2ncn2c(COc4c(C)cccc4C)nnc32)c1 2264646 KBFDCHPWUPDEDF-UHFFFAOYSA-N 384.443 3.967 0 40 GHAB NC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCCC3 2289879 QKSGVRGKXHRIOX-UHFFFAOYSA-N 391.562 3.810 0 40 GHAB COC(=O)[C@](O)(c1ccc(NC(=O)Nc2ccccc2)c(C)c1)C(F)(F)F 2323074 BNBSPEARUPZNRY-QGZVFWFLSA-N 382.338 3.562 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(CO)(c5ccccc54)[C@H]3C2=O)cc1 3115798 SJTACUOCVVLQIB-FGEXJBCWSA-N 395.458 3.538 0 40 GHAB O=C(NCc1ccccc1)C(=Cc1cccs1)C(=O)NCc1ccccc1 3222302 KUOWUJOBTILPGQ-UHFFFAOYSA-N 376.481 3.764 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)nc2n1 3359240 IGFZPIGRMBJUAW-UHFFFAOYSA-N 378.461 3.734 0 40 GHAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccc2c(c1)OCCO2 4134879 GTUBLTJWBLVEGE-UHFFFAOYSA-N 399.497 3.682 0 40 GHAB CCc1c(C)sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1C(=O)OC(C)C 4628336 OZWTZZHRAGQRGB-OSRDXIQISA-N 391.489 3.646 0 40 GHAB Cc1cc(Br)ccc1NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 5123214 ONMBIMMPEHMQFM-CQSZACIVSA-N 388.265 3.685 0 40 GHAB CC(=O)c1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 5184652 HGGDDOIVMTWWRB-UHFFFAOYSA-N 394.452 3.942 0 40 GHAB O=C1C(=O)N(CN2N=C(c3cccs3)C[C@@H]2c2ccco2)c2ccccc21 5427899 AZDPFNSWJLPLJA-MRXNPFEDSA-N 377.425 3.679 0 40 GHAB CC(C)CCNC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1CC(C)C 5449749 VTQLYOYZFWWSBA-UHFFFAOYSA-N 395.956 3.960 0 40 GHAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(Cl)c1 5637235 JDKCGIXXLQWFMK-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB O=C(NCCN1C(=O)S/C(=C/c2cccs2)C1=O)OCc1ccccc1 6452008 CXVPRPIEUJBRGA-RVDMUPIBSA-N 388.470 3.711 0 40 GHAB COc1ccc(OC)c(-n2c(SC[C@H]3CCCO3)nc3ccccc3c2=O)c1 6784891 RHEBCYWVUWHPHX-OAHLLOKOSA-N 398.484 3.674 0 40 GHAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1cc2ccccc2nc1Cl 6880326 NTVUZZJGKSJNNL-NRFANRHFSA-N 377.831 3.782 0 40 GHAB COc1cc(CNn2cnnc2)cc(Cl)c1OCc1ccc(Cl)cc1 7602502 YPYFZNQGMLOTDP-UHFFFAOYSA-N 379.247 3.916 0 40 GHAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)NCc1ccco1 7844064 RCUTXUXGPPAKOL-GFCCVEGCSA-N 388.518 3.655 0 40 GHAB O=C(NCc1ccc(Cl)cc1)NC[C@H]1CN(c2ccc(Cl)cc2)C(=O)O1 8839475 VTEXAERIVDWDOD-INIZCTEOSA-N 394.258 3.818 0 40 GHAB CN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc21 9169813 IUVFZLLXVSYTKZ-UHFFFAOYSA-N 394.880 3.522 0 40 GHAB CC1(C)COc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2NC1=O 9173561 GJNSTGPQCYBUEG-UHFFFAOYSA-N 396.468 3.998 0 40 GHAB O=C(NCCc1ccccc1F)NCc1ccc(COCC(F)(F)F)cc1 9756846 OKVJGWUIFVZHBE-UHFFFAOYSA-N 384.373 3.947 0 40 GHAB CCOc1ccccc1CCCNS(=O)(=O)Cc1c(F)cccc1Cl 10111073 YJXGSSZTMOPQSC-UHFFFAOYSA-N 385.888 3.930 0 40 GHAB CC(C)(C)c1ccc([C@H]2c3c(-c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10232538 QABGGPBBVGCSIY-IBGZPJMESA-N 399.458 3.828 0 40 GHAB C[C@@H]1Cc2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2N1S(C)(=O)=O 10324161 RVGSGXURLVRDMP-SNVBAGLBSA-N 399.299 3.956 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(C)cc1 10326415 WRXDAGPLLIHEGH-HZPDHXFCSA-N 386.517 3.663 0 40 GHAB Cc1ccc(C)c(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 11612715 UDMXKTBVRMIZGZ-GOSISDBHSA-N 386.517 3.875 0 40 GHAB CN(Cc1cccc2cccnc12)C(=O)c1coc(Cn2cnc3ccccc32)n1 11937351 MHZCVRCYLKOCGI-UHFFFAOYSA-N 397.438 3.893 0 40 GHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)C[C@@H]2NC(=O)c3ccccc32)n1 12227327 SYCYLBXVIKZMLU-IRXDYDNUSA-N 397.525 3.788 0 40 GHAB NC(=O)CSc1ccccc1Nc1nc(C(F)(F)F)nc2ccccc12 12543279 BYGNXYMPTYFKGK-UHFFFAOYSA-N 378.379 3.970 0 40 GHAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1N1CCOCC1 12635093 OGGCOQKUEPOOCT-UHFFFAOYSA-N 397.475 3.967 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1c(C)cccc1C 12857676 NVCMHNYVSVYZMQ-UHFFFAOYSA-N 399.878 3.621 0 40 GHAB O=C(NCC(=O)N1CCC(CCc2ccccc2)CC1)c1ccccc1Cl 12874314 QREWCNZHJANYSB-UHFFFAOYSA-N 384.907 3.941 0 40 GHAB CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCCCO2 12985622 NKOZSFWOSYDBTF-LJQANCHMSA-N 397.443 3.802 0 40 GHAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc2c(c1)OCCO2 13022559 AGOJSLIRSXPBHA-SNVBAGLBSA-N 396.212 3.765 0 40 GHAB O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccc(Cl)cc1Cl 13728605 AWIIWJOLFZKXOO-CQSZACIVSA-N 375.215 3.519 0 40 GHAB COc1ccc(CCc2nnc3sc(-c4ccc(F)cc4)nn23)cc1OC 13732862 YHLYKKOKUDEZGY-UHFFFAOYSA-N 384.436 3.794 0 40 GHAB O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1CCCN1c1ncnc2ccccc12 14197934 NSUCOBRXRNJALQ-MOPGFXCFSA-N 390.512 3.952 0 40 GHAB CCOc1ccc(-c2nc(CSc3nnnn3C3CC3)cs2)cc1OC 14676506 WBIZIECOOLAIIV-UHFFFAOYSA-N 389.506 3.831 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(Cl)cc1 15417606 VSELWZXGDKGIJH-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB O=C(COc1ccc(N2CCCC2=O)cc1)OCc1cc(-c2cccs2)on1 16465683 HTOZUOQFVNDPBH-UHFFFAOYSA-N 398.440 3.652 0 40 GHAB CCc1ccc(CN(C)C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 19312789 KCZYOOALMJPYNN-UHFFFAOYSA-N 394.496 3.570 0 40 GHAB Oc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)cc1 19375351 WOSKBADZWMLPSZ-NRFANRHFSA-N 375.476 3.642 0 40 GHAB Cc1cc(C(F)F)n2ncc(C(=O)N[C@H](C)COc3ccc(Cl)cc3)c2n1 19714891 VUWZIXQBOMDSFR-LLVKDONJSA-N 394.809 3.826 0 40 GHAB CC(C)(C)[C@@H]1CCc2onc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)c2C1 20044902 MZRJOAVVZHMEBV-QGZVFWFLSA-N 399.510 3.923 0 40 GHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(C)cc1 20151582 YLTXPBYNWSIYAE-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB COc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 20152637 CMHFVKJKAOBTPE-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB CC(C)CC(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O 20649265 PUDVVDDLVZDFIZ-LJQANCHMSA-N 395.425 3.639 0 40 GHAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1 21248591 FTGXYDCJQYARDF-IBGZPJMESA-N 378.516 3.985 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccsc1 21890113 GEFCAHTURLGXJD-UHFFFAOYSA-N 392.546 3.802 0 40 GHAB Cc1sc(-c2ccco2)nc1C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 24457300 RXLIWQGQFUGVGA-AWEZNQCLSA-N 393.472 3.774 0 40 GHAB Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccsc2c1=O 26098936 LNLZBZUACRSUPC-UHFFFAOYSA-N 399.419 3.745 0 40 GHAB Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N(C)Cc3cccc(F)c3)[nH]n2)cc1 28988247 UFXZCUGUYFMJHJ-OAHLLOKOSA-N 395.434 3.728 0 40 GHAB O=C1COc2cc(C(=O)NCc3ccccc3COc3ccccc3)ccc2N1 30511476 ZSFJDZZCLOVZIZ-UHFFFAOYSA-N 388.423 3.527 0 40 GHAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)Sc1ccc(C)cc1 32716608 XSQRPKWMCYHXDJ-YWZLYKJASA-N 396.512 3.857 0 40 GHAB Cc1ccc2nc(CSCCC(=O)N[C@H](C)c3ccccc3)cc(=O)n2c1 32778686 TYAMOWKFEVTPTR-MRXNPFEDSA-N 381.501 3.504 0 40 GHAB CC(=O)c1c[nH]c(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c1 32781083 QXAAABBJMOOEAS-UHFFFAOYSA-N 391.802 3.807 0 40 GHAB O=C(CS(=O)(=O)Cc1c(Cl)cccc1Cl)Nc1ccc(F)cc1F 32929788 RATVQGVHAAWCTA-UHFFFAOYSA-N 394.226 3.825 0 40 GHAB O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CC(c2cccc(F)c2)=NO1 36397643 NZUGPDNIVFWTCQ-GOSISDBHSA-N 390.798 3.772 0 40 GHAB CCCCn1nc(C)c2c(C(=O)N[C@@H](C)c3cnn(C)c3C)cc(C3CC3)nc21 36615792 WVZKPLSWCPUASN-ZDUSSCGKSA-N 394.523 3.950 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cccc(C(F)(F)F)c1 36652337 CKQPMMWFYCYZJG-GFCCVEGCSA-N 377.366 3.881 0 40 GHAB CC(=O)c1c(C)nc(-c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)n1O 37868553 COPHFVILSBHFEN-UHFFFAOYSA-N 393.443 3.933 0 40 GHAB COc1cc(F)ccc1-c1ccc(=O)n(Cc2ccccc2Br)n1 40285503 VZXKQYXCEPRQPB-UHFFFAOYSA-N 389.224 3.869 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 44246571 ZJMVXMXAZSQYAT-UHFFFAOYSA-N 376.873 3.740 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC(NC(=O)OC(C)(C)C)CC2)c(C)c1 47539702 VMFUAAZCZUIOGG-MRXNPFEDSA-N 375.513 3.620 0 40 GHAB Cc1sc2[nH]c(CCC(=O)NC3(c4ccccc4)CCC3)nc(=O)c2c1C 51418422 BCLJXLQTJBWPEL-UHFFFAOYSA-N 381.501 3.730 0 40 GHAB Cc1sc(CNC(=O)c2ccc(C(N)=O)cc2)nc1-c1ccc(Cl)cc1 56248644 ADGUJIPJRXOWSH-UHFFFAOYSA-N 385.876 3.801 0 40 GHAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)[C@@H]1Cc2cc(Cl)ccc2O1 58305142 DLGGSBJQZJLVLG-SFHVURJKSA-N 386.810 3.797 0 40 GHAB CC1CCN(C(=O)[C@@H](C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 58593269 GDSOFQPZGOQMMZ-GFCCVEGCSA-N 378.321 3.555 0 40 GHAB COc1cccc(-c2nsc(NC(=O)COc3ccc(Cl)cc3)n2)c1 61997282 UWNMAXXURJMLLW-UHFFFAOYSA-N 375.837 3.885 0 40 GHAB C[C@H](OC(=O)c1nc2ncc(Br)cn2n1)c1ccc2ccccc2c1 65604981 CXPAUDGOWUGNAE-NSHDSACASA-N 397.232 3.958 0 40 GHAB COc1ccnc(N2CCC3(CC2)C[C@@H]3c2nc(-c3cccc(Cl)c3)no2)n1 69668613 QWZPUWOZPUSKFS-OAHLLOKOSA-N 397.866 3.963 0 40 GHAB Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cc(C)cc3C)c2C)c1 71327114 MUYZOVTZWPWTOV-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB O=C(Cc1ccccc1)Nc1cc(NC(=O)NCC[C@H]2CCCO2)ccc1F 71808642 FCZAGAZFKWYMED-QGZVFWFLSA-N 385.439 3.698 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)o1 72362699 XJFOPFKZXAJUMM-MRXNPFEDSA-N 378.432 3.894 0 40 GHAB CCc1nccn1-c1cccc([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 72379045 QTFUYARYJGKRRY-HNNXBMFYSA-N 381.505 3.614 0 40 GHAB Cc1nn(-c2ccc(F)cc2F)c2c1[C@H](c1cnn(C)c1)SCC(O)=N2 79484307 PLBMZRHPLMENHE-INIZCTEOSA-N 375.404 3.617 0 40 GHAB Cc1cc(C(=O)COC(=O)c2cccc(Nc3cnn(C)c3)c2)c(C)n1C1CC1 84079462 VPFLVPMFEFOTHR-UHFFFAOYSA-N 392.459 3.957 0 40 GHAB C[C@H]1CCc2ccccc2[C@@H]1NC(=O)CCN1C(=O)CCc2cc(F)ccc21 89930133 RKIJKQAUNRRBGK-NPMXOYFQSA-N 380.463 3.935 0 40 GHAB CCOc1ccc(C2=CCN(C(=O)c3cnn(C4CCOCC4)c3C)CC2)cc1 91928428 BSNRSHQKZSZZMF-UHFFFAOYSA-N 395.503 3.871 0 40 GHAB CNC(=O)c1cccc(NC(=O)c2cccnc2Sc2ccc(C)cc2C)n1 95972207 BRQUAHFGBJLQMH-UHFFFAOYSA-N 392.484 3.857 0 40 GHAB CCC(CC)C(=O)N1CCC2(CC1)C[C@H](CC(=O)N(C)C)c1ccccc1O2 96242947 CUPJEERIZFJGTE-SFHVURJKSA-N 386.536 3.828 0 40 GHAB O=C(Nc1cc(F)cc(F)c1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O 101301761 YFKWJJGOAPTDRL-UHFFFAOYSA-N 393.349 3.622 0 40 GHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 222845120 HPAVQLKLZPAUPI-VQTJNVASSA-N 377.517 3.707 0 40 GHAB COc1ccc2cc(S(=O)(=O)NCCCc3ccccc3OC)ccc2c1 223022762 VGGROSFXYDUUPI-UHFFFAOYSA-N 385.485 3.768 0 40 GHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 223586565 SUIRPYPFLJRDTH-OAQYLSRUSA-N 396.531 3.960 0 40 GHAB CCc1cc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)ccc1OC 223734172 NRCIQHONDFUADU-UHFFFAOYSA-N 391.533 3.912 0 40 GHAB Cc1ccc(CN(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1 223941283 KEYFHAKGWUXQGG-UHFFFAOYSA-N 382.485 3.549 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1F 224644324 WTJMJDIAHXOHKA-OAHLLOKOSA-N 390.886 3.964 0 40 GHAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1C 225706665 HJXAQAQBOFVPTH-OAHLLOKOSA-N 391.562 3.747 0 40 GHAB CC[C@@H](NC(=S)Nc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 225722752 KQJXAKNRCKSODY-QGZVFWFLSA-N 378.519 3.536 0 40 GHAB FC(F)(F)c1cc(N2CCCCCC2)nc(NC(=S)NCc2ccco2)n1 225913689 YLLNMDWOHXLEIX-UHFFFAOYSA-N 399.442 3.955 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2N)CC1 226263553 OQAZTYNMSYMWLN-UHFFFAOYSA-N 393.318 3.970 0 40 GHAB Cc1cc(Nc2cc(C[C@H]3CCCN(C(=O)C4CCCCC4)C3)nc(C)n2)[nH]n1 257238570 HLPUUMXXGHMJIQ-QGZVFWFLSA-N 396.539 3.922 0 40 GHAB C[C@@]12C[C@H]3CN[C@@H]1CCCC[C@@H]2N3C(=O)c1cccc(Cc2ccccc2F)n1 257277312 NXLBABOSSXHJBF-STCFVSJZSA-N 393.506 3.947 0 40 GHAB O=C1CC[C@@H](c2cccc(N[C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)c2)N1 561235250 WAHCLGOKTZRSGU-PMACEKPBSA-N 399.441 3.519 0 40 GHAB O=C1CC[C@H](c2cccc(N[C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)c2)N1 561235307 WAHCLGOKTZRSGU-WOJBJXKFSA-N 399.441 3.519 0 40 GHAB Cc1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)cc2)c1C 575611461 VINJQWGUKJHPEK-HXUWFJFHSA-N 394.496 3.820 0 40 GHAB Cn1ncc(C2CC2)c1CNC(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 585100218 ITLHAEHAKZRTII-UHFFFAOYSA-N 396.426 3.686 0 40 GHAB C[C@]1(O)CCN(C(=O)Cc2cccc(Cl)c2)C[C@@H]1Oc1ccc(Cl)cc1 585262215 CSTPLFKTHCRTOW-ICSRJNTNSA-N 394.298 3.967 0 40 GHAB COC(=O)Cc1cccc(NC(=O)N2CCC(=Cc3cccc(OC)c3)CC2)n1 616837741 VIJSMZVFXJFLQA-UHFFFAOYSA-N 395.459 3.517 0 40 GHAB CN(C(=O)c1nnn([C@H]2CCNC2)c1C(F)F)c1ccc(-c2ccccc2)cc1 638023792 ZXPHGIUKVIOJHX-KRWDZBQOSA-N 397.429 3.694 0 40 GHAB CCCc1cc(C(=O)N2Cc3cccc(C)c3NCC[C@H]3CC[C@@H](C2)N3C)no1 643578349 TYCJEGLOGAJNCQ-MOPGFXCFSA-N 396.535 3.856 0 40 GHAB C[C@@]1(C(=O)O)CCC[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCC1 659233432 CIECBEYIIIOJCZ-RHSMWYFYSA-N 380.282 3.630 0 40 GHAB O=C(CCc1ccccc1Br)N[C@@H]1CCN(Cc2ccsc2)C1 1565523053 FKNWBAZOEMSAPM-MRXNPFEDSA-N 393.350 3.834 0 40 GHAB CCc1ccc([C@H]2CN(C(=O)NC3CCC(C)(N4CCC4)CC3)CCO2)cc1 1638809059 GJGPZFVUWSCYAO-WQMHRJNTSA-N 385.552 3.739 0 40 GHAB Cc1cc(C(=O)N2CCC(COc3ccc4nc(C5CC5)cn4n3)CC2)c(C)o1 1888903812 KYUYOKDQJRSLSW-UHFFFAOYSA-N 394.475 3.748 0 40 GHAB COc1ccc2c(=O)n(CC3CCN(Cc4cc(F)cc(F)c4)CC3)cnc2c1 1889256251 NOXWVTIZGXDIGV-UHFFFAOYSA-N 399.441 3.596 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(Cl)c1 940451 JWKWLZAOJKMJRT-GOSISDBHSA-N 395.850 3.868 0 40 GHAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Cl)cc1 1033717 VAYIMBLSWRJJNN-OAHLLOKOSA-N 397.814 3.704 0 40 GHAB COc1cccc(-c2noc(C(=O)NCc3ccc(Cl)cc3Cl)n2)c1 1428895 MKYMPGRUDOJTMT-UHFFFAOYSA-N 378.215 3.982 0 40 GHAB NC(=O)C1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 1447674 HCPKFMBBCGITEV-UHFFFAOYSA-N 397.482 3.789 0 40 GHAB COc1ccc(CCNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1OC 1460898 NVNULIDJXOPAFV-AWEZNQCLSA-N 377.868 3.792 0 40 GHAB CCc1ccc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)cc1 1784866 ASFZSTCZXRTXQK-UHFFFAOYSA-N 390.468 3.721 0 40 GHAB Cn1nnnc1S[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 2619213 GHKRJTVBSBTRDB-CQSZACIVSA-N 393.394 3.701 0 40 GHAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 3222763 NERHKLGIDJNXFW-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2N)cc1 3500162 DNMWVLDAJGEFTN-UHFFFAOYSA-N 389.484 3.851 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 4304128 GFRKHTXKDXTMGY-UHFFFAOYSA-N 393.878 3.836 0 40 GHAB O=c1oc2cc(OS(=O)(=O)c3ccc(F)cc3)c(Cl)cc2c2c1CCC2 4749031 SUTOMHQZSYHDRT-UHFFFAOYSA-N 394.807 3.842 0 40 GHAB O=C(O)[C@@H](NCCCCCCCN[C@H](C(=O)O)c1ccccc1)c1ccccc1 4758188 GQZOPQRANHBKDU-SFTDATJTSA-N 398.503 3.768 0 40 GHAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccccc3Br)C2)n1 4968008 BDQJXNOAJBTDIH-CQSZACIVSA-N 389.297 3.711 0 40 GHAB O=C(CSc1nnnn1-c1ccccc1)N(Cc1ccco1)C1=CCCCC1 5294301 AVURTSQDWKOKNY-UHFFFAOYSA-N 395.488 3.834 0 40 GHAB COc1ccc(C(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)c(OC)c1 5464725 PVWKWUKKEKZUJL-FQEVSTJZSA-N 383.444 3.614 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)c1ccccc1 5557634 UWNRLDCDDQQJBE-KRWDZBQOSA-N 386.517 3.661 0 40 GHAB Cc1sc2ncnc(SCC(=O)N3CCN(c4ccccc4)CC3)c2c1C 5884706 AYAIUKTWYNGYON-UHFFFAOYSA-N 398.557 3.749 0 40 GHAB COc1ccc(-c2nnc(NC(=O)/C=C\c3ccc4c(c3)OCO4)s2)cc1 6441599 UDBULCVOPPUGSG-OQFOIZHKSA-N 381.413 3.594 0 40 GHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)[nH]1)Nc1cccc(C(=O)O)c1 6494289 BPDFEBWUNNDLMV-UHFFFAOYSA-N 388.836 3.554 0 40 GHAB O=C(Cc1c(Cl)cccc1Cl)NCC1(N2CCOCC2)CCCCC1 6626477 MVHCKCOVSCOKNJ-UHFFFAOYSA-N 385.335 3.687 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc(C)cc1 7217015 PBTQSUAWHFZLSJ-UHFFFAOYSA-N 384.295 3.587 0 40 GHAB COc1cc(CCC(=O)OCC(=O)Nc2ccc(C)cc2Cl)cc(OC)c1 7271569 DNRCCSIKJXKHSI-UHFFFAOYSA-N 391.851 3.780 0 40 GHAB C[C@H](O)CCC(=O)NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1 7546090 KBRKOBZFKUXDLJ-HNNXBMFYSA-N 385.895 3.558 0 40 GHAB O=C1CCCN1c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 7726773 XGPAAWSUJHZACY-UHFFFAOYSA-N 384.379 3.633 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 7882362 DWJWCKVFAABOQU-NSHDSACASA-N 379.243 3.994 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 7928281 WFRKHWZNJGCXBI-LLVKDONJSA-N 379.243 3.994 0 40 GHAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 7987077 UNFYHMUGUMYVLP-HXUWFJFHSA-N 397.496 3.912 0 40 GHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1 8157481 PREMOBLXYRGERP-MHWRWJLKSA-N 386.404 3.509 0 40 GHAB COc1ccc(CN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C2CC2)cc1 8164321 JODAECLPPUNICI-IBGZPJMESA-N 382.485 3.689 0 40 GHAB CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)cc1 8324394 CCXLCGRBBFVAAH-HXUWFJFHSA-N 393.439 3.692 0 40 GHAB O=S(=O)(CCc1ccccc1)NC[C@H](c1ccsc1)N1CCCCCC1 8901478 UYUAVHWZMHDIKG-HXUWFJFHSA-N 392.590 3.827 0 40 GHAB O=C(Cc1c(F)cccc1Cl)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 9227193 VJVMLWSAMVFWMY-ZDUSSCGKSA-N 390.842 3.569 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)ccc12 9387822 BTYUSHQJROTQKL-FZKQIMNGSA-N 381.428 3.855 0 40 GHAB O=C(c1ccc(-n2cnnn2)cc1)N1CCc2sccc2[C@@H]1c1cccs1 9449136 YAYKYOXQEHYFET-GOSISDBHSA-N 393.497 3.573 0 40 GHAB Cc1cc(SCC(=O)N[C@H](C)[C@@H](O)c2ccc(O)cc2)nc2ccccc12 9912318 KHZGSTZCACIPMG-SPLOXXLWSA-N 382.485 3.579 0 40 GHAB COc1ccccc1CNc1nccn(-c2cc(C)c(Cl)cc2OC)c1=O 10273231 BJSOWRGCBHVRBB-UHFFFAOYSA-N 385.851 3.824 0 40 GHAB CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccccc1F 11615409 HUKAENQQKSKQII-LJQANCHMSA-N 398.409 3.568 0 40 GHAB COc1ccc(-c2cc(NC(=O)CCn3c(C)csc3=O)ccc2OC)cc1 12036559 CGEMLUBVUJDORW-UHFFFAOYSA-N 398.484 3.931 0 40 GHAB COc1ccc(C2=NO[C@H](C(=O)N3CCCCC[C@@H]3c3cc(C)no3)C2)cc1 12119662 IGVJRLSACFZLIY-QUCCMNQESA-N 383.448 3.629 0 40 GHAB CC(C)(C)Nc1c(C2CCN(C(=O)Cc3ccccn3)CC2)nc2ccccn12 12127738 ZJSKMFPDFZEVRR-UHFFFAOYSA-N 391.519 3.888 0 40 GHAB COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12391987 GMLVPSMAQCSXFG-MRXNPFEDSA-N 377.444 3.667 0 40 GHAB COc1ccc(C)cc1CC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 12550145 YSAIWJCTQYMTKD-HXUWFJFHSA-N 383.879 3.839 0 40 GHAB COc1ccc(CNc2nnc(SCC(=O)N3CCCCCC3)s2)cc1 12685234 UCDAXXONQXJXHE-UHFFFAOYSA-N 392.550 3.654 0 40 GHAB CN(C)[C@H](CNc1ncnc2c1cnn2-c1ccc(F)cc1)c1cccs1 12785808 MIELNHUCEBKNFF-MRXNPFEDSA-N 382.468 3.731 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CCN3C(=O)COc4ccccc43)n2)cc1 12844877 VMWZUFOJLYWJBR-UHFFFAOYSA-N 393.468 3.873 0 40 GHAB Cc1cc(N2CCN([C@@H](C)C(=O)Nc3c(C)cccc3C)CC2)nc(C(C)C)n1 12866772 DXUBSLZQXAWBAW-IBGZPJMESA-N 395.551 3.674 0 40 GHAB O=c1c2ccccc2cnn1CN1CCC(c2nc3ccccc3s2)CC1 12872384 PBZQKJLLPBIOTN-UHFFFAOYSA-N 376.485 3.843 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c(C)c1 14003283 BEQFTTSKNOGFPV-UHFFFAOYSA-N 378.428 3.844 0 40 GHAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1-n1cccc1 14081159 IBUPMNPWHKYIAW-UHFFFAOYSA-N 387.361 3.572 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c1 14238522 VKTZUSDGDBHGBN-UHFFFAOYSA-N 393.508 3.975 0 40 GHAB COc1cc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c(OC)c2c1OCO2 15085875 PJPLVQXFZISNKS-AWEZNQCLSA-N 375.808 3.822 0 40 GHAB O=C(Nc1ccc(I)cc1)c1cnn(-c2ccccc2)c1 15579235 UHLYTXACUDWDMG-UHFFFAOYSA-N 389.196 3.729 0 40 GHAB COc1cccc(CNC(=O)CCC(=O)c2ccc(Br)cc2)c1 15923993 QJLYFUXYPREPJF-UHFFFAOYSA-N 376.250 3.737 0 40 GHAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 16020206 UYOWBZJGEHIESD-UHFFFAOYSA-N 382.489 3.932 0 40 GHAB COc1ccc(-c2cc3c(SCC(=O)NC4CCCC4)nccn3n2)cc1 16954653 FNWJQQIHGKEZSR-UHFFFAOYSA-N 382.489 3.556 0 40 GHAB O=S(=O)(NCCSc1ccccc1)c1ccc(OC(F)(F)F)cc1 17333711 CGYGTQSSZMJDRL-UHFFFAOYSA-N 377.409 3.656 0 40 GHAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1csc(-c2ccccc2)n1 18263328 JDPFTLZMFDNYDW-UHFFFAOYSA-N 388.470 3.539 0 40 GHAB C[C@@H](C(=O)Nc1cccc(CN2CCCCC2)c1)n1cnc2ccccc2c1=O 19080637 OFJLSCOVJYXVER-KRWDZBQOSA-N 390.487 3.582 0 40 GHAB Cc1cccnc1CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCO2 19237781 QXOHAQRIIXICSF-UHFFFAOYSA-N 396.468 3.510 0 40 GHAB CCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 19503693 MUEBAMAWGUGYHH-SFHVURJKSA-N 378.476 3.742 0 40 GHAB CCCn1c(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ncccc3C)C2)nc2ccccc21 19526002 LQSPPQLELYCQGG-GLDPYIMESA-N 390.531 3.879 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCN(Cc2ccc3ccccc3c2)CC1 19882795 YDEMDVDUYVGWOY-UHFFFAOYSA-N 390.483 3.815 0 40 GHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 20457858 NSLLTGIXDUTDDE-GOSISDBHSA-N 393.487 3.816 0 40 GHAB NC(=O)CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 20895298 QAKFAIOTUAHWPQ-UHFFFAOYSA-N 377.878 3.779 0 40 GHAB COC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 21356313 SAPPJQYGIHGBGX-INIZCTEOSA-N 388.423 3.618 0 40 GHAB O=C(CSc1cnc2ccccc2n1)OCc1cn2cc(Cl)ccc2n1 21371054 MFMONQSDYFNAFC-UHFFFAOYSA-N 384.848 3.766 0 40 GHAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)Sc2nnc(C(C)(C)C)n2N)cc1 21740736 UFMONRIALDDLEY-CHWSQXEVSA-N 375.542 3.922 0 40 GHAB COc1ccc(CN(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 27648929 MZUGJIOZWJWOHX-KRWDZBQOSA-N 379.909 3.538 0 40 GHAB O=C(Nc1nc(C2CC2)cs1)c1cn(-c2ccccc2C(F)(F)F)nn1 31949804 DFCLTOXUWQQFGY-UHFFFAOYSA-N 379.367 3.872 0 40 GHAB CCC(CC)N(C)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 32355361 OTSYAEQQVGNTMT-UHFFFAOYSA-N 378.469 3.887 0 40 GHAB Cn1cc(-c2nnc(SCc3ccc(Cl)cc3)n2C[C@H]2CCCO2)cn1 32604369 NCAGYBZHBJJWLW-MRXNPFEDSA-N 389.912 3.803 0 40 GHAB Cc1cc(Br)ccc1SCC(=O)Nc1ccccc1C(N)=O 32819554 PKUOZQBUOLJWAQ-UHFFFAOYSA-N 379.279 3.587 0 40 GHAB Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccccn1 33778608 ALHQKOIEQLCMQE-GZTJUZNOSA-N 390.399 3.584 0 40 GHAB O=C(CCc1ccccc1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 36398527 LDXHKLKCKYYFDE-UHFFFAOYSA-N 377.410 3.818 0 40 GHAB O=C1CSC(=O)N1[C@@H]1CCCC[C@H]1NC(=O)C1(c2cccs2)CCCC1 38679616 UDLWWBYQXKNSGO-ZIAGYGMSSA-N 392.546 3.683 0 40 GHAB COc1ccc(/C=C/C(=O)N[C@@H](C(=O)N(C)Cc2ccsc2)C(C)C)cc1 39981840 JQQQLLYJUOSGOC-JRMCHAMMSA-N 386.517 3.569 0 40 GHAB COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C(=O)N(C)C)cc1OC 40082410 KVELENAJRCFYIV-UHFFFAOYSA-N 397.258 3.965 0 40 GHAB Cc1c(NC(=O)N2CCC[C@H]2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C 40094876 MXGQSUSPASRGPL-FQEVSTJZSA-N 390.487 3.723 0 40 GHAB COc1ccccc1-n1nnc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c1C 40112811 VIPGIVDALKVJCJ-HNNXBMFYSA-N 394.475 3.863 0 40 GHAB Cc1nc2nc(SCC(=O)N[C@H](c3ccccc3)C(C)C)nn2c(C)c1C 40119153 ZBPGCDDRIFKKNT-SFHVURJKSA-N 383.521 3.655 0 40 GHAB CC(C)(C)c1nc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)no1 40154529 OQIBRORDSRVZLA-UHFFFAOYSA-N 392.887 3.577 0 40 GHAB C[C@@H](NC(=O)c1csc(-c2ncccn2)n1)c1ccc(OC(F)(F)F)cc1 47211265 VTYDQSWXQSWLPG-SNVBAGLBSA-N 394.378 3.990 0 40 GHAB O=C(NCc1cccc2ccccc12)N1CC(c2nc(-c3cccnc3)no2)C1 49483765 XKDMCTYJCOMYMC-UHFFFAOYSA-N 385.427 3.594 0 40 GHAB Cc1nc2cc3c(cc2n1C[C@H](O)c1ccc(OC(F)(F)F)cc1)OCCO3 51288730 ZMTJKWOOPVPVMR-INIZCTEOSA-N 394.349 3.748 0 40 GHAB O=C(OCc1nc(-c2ccsc2)no1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 52152157 RFCAXHQBCFGOSP-JTQLQIEISA-N 395.849 3.749 0 40 GHAB CCN(CC)C(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](c1ccccc1)C3 55491288 GACDLZYGCNNZLV-HNNXBMFYSA-N 395.528 3.668 0 40 GHAB O=C(Nc1ccccc1N1CCCCC1)N1CCN(c2ccc(O)cc2)CC1 57869752 YBLAFEXVWTXUFJ-UHFFFAOYSA-N 380.492 3.737 0 40 GHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@@H]1CCOc2ccccc21 58369963 CPWCTDGWOSUXFX-CYBMUJFWSA-N 398.768 3.937 0 40 GHAB COc1ccc(C)cc1C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 60272119 QOBPNKCZXUQWHG-UHFFFAOYSA-N 377.227 3.903 0 40 GHAB CCCCCCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)cc1OC 62714585 ATZDAYPVMKBJPL-ZAHGZRRWSA-N 377.481 3.893 0 40 GHAB COc1ccc(CC(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc1OC 66445406 CJCNEWJMICBFHB-SFHVURJKSA-N 381.432 3.613 0 40 GHAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)C1(C)C 72096775 RCPZEHXVRMTIRA-XYPHTWIQSA-N 376.497 3.904 0 40 GHAB COc1cccc(OCc2ccc(C(=O)Nc3cc(-c4ccncc4)n[nH]3)o2)c1 72255802 FDIAUYIDYRQUMG-UHFFFAOYSA-N 390.399 3.905 0 40 GHAB Cn1nc(-c2ccccc2)cc1C(=O)Nc1nnc(Cc2ccccc2)s1 72403437 LSWQHZBXDCFBFY-UHFFFAOYSA-N 375.457 3.782 0 40 GHAB O=C(O)c1ccc(N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 72414137 STEFBMFWSVVXDX-HNNXBMFYSA-N 387.650 3.923 0 40 GHAB COc1ccc2c(COC(=O)CCc3nc(C4CCCC4)no3)cc(=O)oc2c1 79110852 PIODNIUIVZEYOS-UHFFFAOYSA-N 398.415 3.518 0 40 GHAB CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1 95418389 KAVWHJXNFZNMKX-IBGZPJMESA-N 399.422 3.524 0 40 GHAB COc1cc(/C=C/C(=O)Nc2cc(C)nc(O)n2)cc(Cl)c1OC(C)C 95462361 TYYWSULPQADDSP-AATRIKPKSA-N 377.828 3.592 0 40 GHAB O=C(O)c1ccc2c(c1)CN(C(=O)C1(c3cccc(Cl)c3)CCOCC1)CC2 95464506 YYLLHOKPFTZFBO-UHFFFAOYSA-N 399.874 3.671 0 40 GHAB CC(C)Oc1ccc(C(=O)N2CCC[C@@H](n3nccc3C(F)(F)F)C2)cn1 95466098 QTVLMWXHWBDCFV-CQSZACIVSA-N 382.386 3.561 0 40 GHAB CC(C)(C)c1csc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)n1 95478497 WTPMYFMLNQGYRI-ZDUSSCGKSA-N 386.477 3.560 0 40 GHAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nc2c(s1)CCCCC2 95479375 UICXNNYUFBCZJF-OAHLLOKOSA-N 398.488 3.531 0 40 GHAB COc1cc([C@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)cc(OC)c1O 102736342 LYUAVFZIKFFJFS-OAHLLOKOSA-N 386.408 3.664 0 40 GHAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)NCc1cccc(C(F)(F)F)c1)(C3)C2 103074615 AEIZZSXIVOWYIL-MVYVIFSASA-N 394.437 3.797 0 40 GHAB COc1ccc(CNCc2csc(-c3ccc4c(c3)OCO4)n2)cc1OC 103168993 YRMKUUFECANVPU-UHFFFAOYSA-N 384.457 3.846 0 40 GHAB O=C(COc1ccc(F)cc1)NCc1ccc([C@H](O)c2ccsc2)s1 207965091 MTLUAPCNNLBKJF-GOSISDBHSA-N 377.462 3.726 0 40 GHAB CCC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccccc1 217484460 KLGNCAMMBJQWDK-HNNXBMFYSA-N 390.505 3.506 0 40 GHAB COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)o2)c1 222767309 WDIAEKQENIYZDK-RBUKOAKNSA-N 393.468 3.731 0 40 GHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 222821961 BECBDYUNGZROBK-WOJBJXKFSA-N 377.517 3.707 0 40 GHAB Cc1cc(C)c([C@@H](C)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1C 223486783 RBIJASHMEKYUIB-QGZVFWFLSA-N 388.533 3.807 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 223536984 SXBUXACPMFQMQB-IBGZPJMESA-N 382.504 3.544 0 40 GHAB Cc1ccc(CN(C(=O)COc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224204727 IRAXFBGGMDRQGR-FQEVSTJZSA-N 396.531 3.872 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1 224554731 NPARVMDEIBRREW-QFIPXVFZSA-N 396.531 3.953 0 40 GHAB COc1ccc(O[C@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224671583 ATAZBRXHXWIHHO-GOSISDBHSA-N 382.504 3.765 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 224728656 ISUVUCKNZNFAMY-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB CSc1ccccc1N(CCCC(=O)NCC1=CCCCC1)S(C)(=O)=O 224878997 FCWSEWLQNJVPTQ-UHFFFAOYSA-N 396.578 3.571 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225212351 DDOSPCIROOGIKK-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)COc2ccccc2)c1 225783261 UTNLTNODBVMAQB-LBPRGKRZSA-N 378.881 3.881 0 40 GHAB O=C(O)/C=C/c1ccc(OCc2ccccc2)c(I)c1 226332348 DOROBHFNUOBONP-VQHVLOKHSA-N 380.181 3.968 0 40 GHAB Cc1nc2c(c(N3CCC(NC(=O)c4cc5ccccc5o4)CC3)n1)CCCC2 238817050 BSFPYFCQNBGCRF-UHFFFAOYSA-N 390.487 3.809 0 40 GHAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)Nc1ccc2c(c1)OCO2 253408740 YSFSYCITWJIFPS-SFHVURJKSA-N 388.470 3.596 0 40 GHAB COc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccc(F)cc1 408574914 NACIWIFWJHUVJF-QGZVFWFLSA-N 375.465 3.857 0 40 GHAB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1)C(=O)c1ccccc1 408640126 ALLOUROEBRJNLD-ICSRJNTNSA-N 379.456 3.861 0 40 GHAB CCNS(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2CC)ccc1OCC 408697086 HFLHNWKVBAVANY-UHFFFAOYSA-N 390.505 3.507 0 40 GHAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]21)c1ccccc1 409371453 FYMNANGCMFQPQJ-UKAVVXHISA-N 385.419 3.780 0 40 GHAB O=C(Cc1csc2ccc(Cl)cc12)N=c1cc([C@@H]2CCCOC2)[nH][nH]1 525942854 LQQBUOCVPBBGSG-LLVKDONJSA-N 375.881 3.775 0 40 GHAB O=C(O)c1ccc(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(F)c1 565107355 XRBGDSYRVANGMB-KRWDZBQOSA-N 381.350 3.699 0 40 GHAB Cn1nccc1-c1cncc(CNC(=O)c2cc(-c3ccc(F)cc3)c[nH]2)c1 575617242 UYMSOPNCWFBAHC-UHFFFAOYSA-N 375.407 3.546 0 40 GHAB O=c1ccc(-c2ccccc2)nn1C1CCN(Cc2cc(C3CC3)on2)CC1 1775971011 ULTOGTLEZJCLGQ-UHFFFAOYSA-N 376.460 3.613 0 40 GHAB Cc1c(C(=O)OC(C)C)cnc2nc(SCc3ccccc3Cl)nn12 8992030 BAQXIDJRCUXWON-UHFFFAOYSA-N 376.869 3.944 0 40 GHAB O=C(Nc1nnc(-c2ccccn2)s1)N1CCC(c2ccc(O)cc2)CC1 47790358 YWNWFDYMCPEETO-UHFFFAOYSA-N 381.461 3.717 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)c1 928948 PQDAQVPHMQFACK-UHFFFAOYSA-N 386.502 3.997 0 40 GHAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1cccc(Br)c1 79112581 SJLLTNWSTJROIN-INIZCTEOSA-N 387.233 3.875 0 40 GHAB COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)NC[C@@H]1CCCO1 876235 FPDUHLZGVORRTA-DYYXWGBJSA-N 378.428 3.583 0 40 GHAB CCn1ccc(CN(C)C(=S)Nc2c(C)nn(Cc3ccccc3C)c2C)n1 2806403 LXPDAKCTCBURHW-UHFFFAOYSA-N 396.564 3.902 0 40 GHAB CCOc1ccc(-n2nnnc2CSc2nnc(-c3cccc(F)c3)o2)cc1 4186100 AUDCSPQATQTMOJ-UHFFFAOYSA-N 398.423 3.542 0 40 GHAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(N2CCCC2=O)cc1 12528524 QLDIEXYGPLKSQU-UHFFFAOYSA-N 399.878 3.556 0 40 GHAB COc1cc(C(=S)NCCCn2ccnc2)ccc1OCc1ccccc1 12550951 IQKZOCVDUUAVRE-UHFFFAOYSA-N 381.501 3.826 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1 4410388 FTZCRFSVPYTWDD-PHIMTYICSA-N 396.563 3.734 0 40 GHAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccccc2OCC)C1=O 6654568 NMHUICTVPXLIKK-LGMDPLHJSA-N 390.505 3.770 0 40 GHAB CCOC(=O)c1c(NC(=O)CSc2ccccc2N)sc(C(C)=O)c1C 7456417 CYNBOEWBLSQFKD-UHFFFAOYSA-N 392.502 3.749 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(N2CCCCC2)cc1 7504627 YTOQFCUDSSNZEV-UHFFFAOYSA-N 398.459 3.733 0 40 GHAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NC1CCCCC1 59472906 NCDFULCFEPDVAH-UHFFFAOYSA-N 386.517 3.715 0 40 GHAB O=C(COc1cccc(F)c1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 24833638 JXSXMWHFVXGSHX-UHFFFAOYSA-N 398.413 3.967 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)cc1C 8412404 YLCOBIKPFFAUGW-UHFFFAOYSA-N 394.349 3.600 0 40 GHAB Cc1cccc2cc(CN(CCCO)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c12 8716792 TWWZXKSBYYJYTE-UHFFFAOYSA-N 399.878 3.906 0 40 GHAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccc(Br)cc1 25671961 MGALSSKFOVVXIT-HNNXBMFYSA-N 381.270 3.618 0 40 GHAB Cc1ccc(-n2c(C)nn(CN3CCN(c4ccccc4)CC3)c2=S)cc1 56552579 JDSPUZSTRCVCDG-UHFFFAOYSA-N 379.533 3.800 0 40 GHAB CN(C)Cn1c(=S)oc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc21 3244576 MZTRMJZLOOHMTF-UHFFFAOYSA-N 397.909 3.937 0 40 GHAB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(N(C)C)c2)cc1 23221137 PEJMTALCDMWHEX-OAHLLOKOSA-N 382.460 3.919 0 40 GHAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(Br)cc2C)cc1 116709703 HEQBYJZXBUNPOE-UHFFFAOYSA-N 397.294 3.825 0 40 GHAB COCCn1c(S[C@@H](C)c2nnc(C)o2)nnc1-c1ccc(Cl)cc1 58173223 ZGLRABOMCPQPBO-JTQLQIEISA-N 379.873 3.790 0 40 GHAB CN1CCC(N(C)C[C@@H](NC(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 58249860 RFRFDLPRPDHQJN-OAQYLSRUSA-N 384.499 3.715 0 40 GHAB Cc1nnc(CC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1 58283619 WJXWHYLLKFUPQX-UHFFFAOYSA-N 383.260 3.913 0 40 GHAB CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccco2)nc2ccccc12 12777242 WMOOQIDTEYHVQL-GFCCVEGCSA-N 384.461 3.605 0 40 GHAB COc1ccccc1N1CCN(C[C@@H](O)c2ccccc2C(F)(F)F)CC1 58380247 RBZVMDSNUOTCTO-GOSISDBHSA-N 380.410 3.570 0 40 GHAB CC(C)[C@@H](NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1 45151145 PNTKAHAQZQSVTL-XJKSGUPXSA-N 375.410 3.706 0 40 GHAB CC(C)C[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1 12780187 PNKPJIGHSVKPOE-FQEVSTJZSA-N 378.472 3.853 0 40 GHAB COc1ccc2c(CC(=O)OCc3cc(=O)oc4cc(OC)ccc34)coc2c1 3333137 LMWNNXXERFICSA-UHFFFAOYSA-N 394.379 3.842 0 40 GHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3334564 YIXHCFQWCLAIDO-OAQYLSRUSA-N 398.528 3.669 0 40 GHAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cncc(Br)c1 11203510 MCBREFSMVRLHQZ-UHFFFAOYSA-N 386.205 3.942 0 40 GHAB CCn1nc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)cc1C 36616715 WBNSVNNIYRAFHH-UHFFFAOYSA-N 380.477 3.782 0 40 GHAB CC1(C)CC(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC(C)(C)N1 11422875 LEERQJDEDZHPNT-UHFFFAOYSA-N 391.519 3.519 0 40 GHAB COc1ccc(-c2noc(-c3nnn(-c4cc(Cl)ccc4OC)c3C)n2)cc1 11691850 VQZZQKMWNRVEGO-UHFFFAOYSA-N 397.822 3.963 0 40 GHAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OCc1ccccc1 28464419 AKLPMGJMIJWVBL-HXUWFJFHSA-N 390.443 3.709 0 40 GHAB CCc1ccc([C@H](NCC(=O)NC(=O)NC2CCCC2)c2cccs2)cc1 29937333 LXAGZIANGBYMHB-FQEVSTJZSA-N 385.533 3.758 0 40 GHAB CSc1cccc(NC(=O)COC(=O)c2ccccc2Br)c1 3567294 AZZMEPMKMDDPOV-UHFFFAOYSA-N 380.263 3.967 0 40 GHAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1F 12935497 QLROTVCVZKJNGV-HIFRSBDPSA-N 390.480 3.625 0 40 GHAB COc1ccccc1-n1cnnc1S[C@@H](C(=O)NCc1ccccc1)C(C)C 9114624 BCCBVGMYPDBNHB-LJQANCHMSA-N 396.516 3.709 0 40 GHAB COc1ccc(N2C(=O)C[C@H](c3ccccc3OC)c3sc(=O)n(C)c32)cc1 49546377 JWKFXXXAZWQOCZ-MRXNPFEDSA-N 396.468 3.664 0 40 GHAB CCOc1ccc(CNC(=O)c2ccccc2I)cc1 13670873 JHVNVCDSHVXPTF-UHFFFAOYSA-N 381.213 3.620 0 40 GHAB Brc1cc2c(cc1CSc1nnc3n1CCCCC3)OCCO2 6097378 ICMJVJSOTRAWSR-UHFFFAOYSA-N 396.310 3.831 0 40 GHAB Cc1nc2ccc(OCc3ccccc3)cc2c(O)c1CN1CCN(C)CC1 19793349 SWYCDODJWXZGLQ-UHFFFAOYSA-N 377.488 3.575 0 40 GHAB O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1ccc(Cl)cc1 5298173 BFGQMRUWGYYQDH-UHFFFAOYSA-N 384.819 3.811 0 40 GHAB COc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1ccc(C)cc1 409248574 LHFKAYIWHRLPJA-UHFFFAOYSA-N 384.501 3.792 0 40 GHAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCc3ccccc3)o2)c1 22108507 OBIKZOKZKALTBM-UHFFFAOYSA-N 393.439 3.852 0 40 GHAB CCOc1ccccc1NC(=O)[C@H](C)NC(=O)Cc1cccc2ccccc12 14240705 FKACBMIFAUQUCC-INIZCTEOSA-N 376.456 3.924 0 40 GHAB CCCCn1nnnc1CSc1nnc(-c2ccoc2C)n1-c1ccccc1 6830490 LRSRYNWGLZEJDL-UHFFFAOYSA-N 395.492 3.915 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)c3ccccc3)nnc12 6910407 IYIJVIYXZILWSB-CQSZACIVSA-N 392.484 3.818 0 40 GHAB Cc1ccc(Cc2cnc(NC(=O)Cn3c(=O)oc4ccccc43)s2)cc1 23269699 LEDWICWENBGCNV-UHFFFAOYSA-N 379.441 3.589 0 40 GHAB O=C(COc1ccc(F)cc1Br)N1CCC(c2ccccc2)=N1 7032739 NJXBLANOONAHNM-UHFFFAOYSA-N 377.213 3.604 0 40 GHAB CCCn1nnnc1COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1 7245241 OPDRLPUMKDFKNY-UHFFFAOYSA-N 392.415 3.869 0 40 GHAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2nnnn2-c2ccccc2)o1 9516311 OOVBHIULJNTHEN-GFCCVEGCSA-N 398.423 3.617 0 40 GHAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3CCOC)CC2=O)cc1 7544349 RBYJISJZOWQUSF-MRXNPFEDSA-N 379.460 3.602 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 7941778 MEMFXHYHCYWKHS-UHFFFAOYSA-N 397.519 3.703 0 40 GHAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1 8283731 ICUAWUQNWZLKPB-LBPRGKRZSA-N 379.445 3.516 0 40 GHAB COc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)Nc1ccccc1Cl 8352298 KMEUVJSHWZXGBZ-UHFFFAOYSA-N 394.880 3.888 0 40 GHAB CCOc1ccc(CCNC(=O)COc2ccc3c(c2)CCC3)cc1OCC 8352227 FLLALNHEGSRHGG-UHFFFAOYSA-N 383.488 3.710 0 40 GHAB O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(OCc2ccccc2)cc1 9721723 NJVFKZXQRUNPDT-UHFFFAOYSA-N 392.455 3.523 0 40 GHAB Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)cc1 95424300 QOUMHRMXVDBLSX-SFHVURJKSA-N 375.428 3.509 0 40 GHAB CC[C@@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 20451383 XJZGUGJZQUEPIH-LJQANCHMSA-N 392.496 3.639 0 40 GHAB COc1ccc(NC(=O)Cn2nc(COc3cccc(C)c3)oc2=S)cc1 409158981 UNVOJBBSOPORDZ-UHFFFAOYSA-N 385.445 3.740 0 40 GHAB Cc1c(Cl)cccc1NCc1ccc(OCC(N)=O)c(Br)c1 408553596 AVKNDBASOCXEFS-UHFFFAOYSA-N 383.673 3.887 0 40 GHAB Cc1ccc(C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCOCC2)cc1 72265182 WULGTLIKFHSOJV-UHFFFAOYSA-N 380.488 3.519 0 40 GHAB CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)ccc3OC)N(C)C2=S)cc1 409031301 AJYPZNNOHXAYLF-AQTBWJFISA-N 398.484 3.707 0 40 GHAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cccc(C)n1 408617531 APZRKSWCIVZSDU-UHFFFAOYSA-N 394.294 3.596 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1cc(C(C)C)nc3onc(C)c13)CC2 36370039 TYIMQHXPRJXVLX-UHFFFAOYSA-N 395.459 3.870 0 40 GHAB biogenic O=C(Nc1ccc(F)cc1Nc1ccccc1F)c1cn(C[C@H]2CCOC2)nn1 529011390 QUMCROGKLMUKKS-CYBMUJFWSA-N 399.401 3.589 0 40 GHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 408587327 TZVCMYQKRBGEII-UHFFFAOYSA-N 377.462 3.761 0 40 GHAB Cc1c(Cl)cccc1N1C[C@H](C(=O)NCc2cccc(Cl)c2)CC1=O 408706960 FTJMNPGRYWGBEW-CQSZACIVSA-N 377.271 3.971 0 40 GHAB Cc1ccc(NC(=O)Cn2cc(-c3ccccc3C)c(N3CCOCC3)n2)cc1 62006925 PXOQIXJIIAYOLT-UHFFFAOYSA-N 390.487 3.642 0 40 GHAB CCOc1ccc(NC(=O)COc2cc(C(=O)OC)nc3ccc(F)cc23)cc1 65033256 REMSEJIVUJAENY-UHFFFAOYSA-N 398.390 3.577 0 40 GHAB CC(C)c1nccn1-c1cncc(C2CCN(C(=O)c3ccccc3)CC2)n1 72355336 USALVMWIDFTALI-UHFFFAOYSA-N 375.476 3.806 0 40 GHAB COc1ccc(CN2CCC[C@H]([C@H](NC(C)=O)c3nccs3)C2)c(C)c1C 72337758 WSDOETBFBXMGLM-ICSRJNTNSA-N 387.549 3.858 0 40 GHAB CC1(C)C[C@@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)C1 36357434 WYDWXCJGDBTDEX-YFYZNPQRSA-N 384.476 3.752 0 40 GHAB CCOC(=O)c1cc(NC(=O)c2ccc(N3CCOCC3)cc2)ccc1Cl 30753176 JNKOKYOJGUHKQP-UHFFFAOYSA-N 388.851 3.606 0 40 GHAB COc1ccc(Oc2cncc(C3CCN(C(=O)c4cccnc4)CC3)n2)cc1 72362098 AHEVLHQPPVKEBD-UHFFFAOYSA-N 390.443 3.692 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(SC)cc1 223769698 GJQFEQCDKSLCBA-UHFFFAOYSA-N 395.531 3.731 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(Cl)c1C)N(c1ccccc1F)S(C)(=O)=O 220590956 KZZIVHSURBCWNV-INIZCTEOSA-N 398.887 3.971 0 40 GHAB COc1ccc(-n2cc(C(=O)O)c3c2[C@H](c2ccccc2)CC(=O)N3)c(OC)c1 49543402 ZSDCCHJXXUVBPA-HNNXBMFYSA-N 392.411 3.667 0 40 GHAB biogenic CCOc1cc(CNC(=S)Nc2cccc(N3CCCC3=O)c2)ccc1OC 225771482 PJNJPDDWLQRDJK-UHFFFAOYSA-N 399.516 3.707 0 40 GHAB CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1COC(C)C 224719913 JYYCSYDCTFDSSA-UHFFFAOYSA-N 382.504 3.973 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 224618121 FAWCBBWTTRYWLO-JOCHJYFZSA-N 380.532 3.914 0 40 GHAB Cc1cc(NC(=S)NCCSCc2ccco2)ccc1N1CCCC1=O 225348978 SGMGVRWOCGHSEW-UHFFFAOYSA-N 389.546 3.935 0 40 GHAB Cc1cc(C)c(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c(C)c1 220305817 WVNUOAIEMYUJLR-HNNXBMFYSA-N 378.469 3.544 0 40 GHAB COC(=O)c1cc(S(=O)(=O)NCCCc2cccc3ccccc23)ccc1C 225573478 QIYPZRJTFSYJPA-UHFFFAOYSA-N 397.496 3.846 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 225202582 BZZHJFZXKFRBSG-MRXNPFEDSA-N 388.895 3.662 0 40 GHAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NC[C@H]1COc2ccccc2O1 225279981 RWVLVUPRHWOOCF-DOTOQJQBSA-N 375.852 3.762 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(SC)c1)N(c1ccccc1F)S(C)(=O)=O 220593046 NBNUYTBMTCYFPA-INIZCTEOSA-N 396.509 3.731 0 40 GHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CC 224611642 QOUHFBZGMMNSOK-OAQYLSRUSA-N 382.504 3.571 0 40 GHAB CCc1ccc(O[C@H](CC)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 222874293 JXHRYOZZPYFXMU-OAQYLSRUSA-N 382.504 3.764 0 40 GHAB CC[C@@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(OC)c(C)c1 223288643 ICFMXFRTFZTRQX-QGZVFWFLSA-N 390.505 3.565 0 40 GHAB Cc1cccc(CN(C(=O)COc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)c1 225514094 RVBYIXRWIQBHJH-LJQANCHMSA-N 382.504 3.624 0 40 GHAB CCn1nc(C)c2nc(C(C)C)nc(N3CCN(c4ccc(F)cc4)CC3)c21 226688495 VIZSTXVNLHWLHO-UHFFFAOYSA-N 382.487 3.744 0 40 GHAB O=C(Cn1ccc2cc(Br)ccc21)N1CC[C@]2(O)CCCC[C@@H]2C1 96125593 DPTPQBWAUBHMMH-DNVCBOLYSA-N 391.309 3.557 0 40 GHAB biogenic Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)c3c(F)cccc3F)CCO2)n1 257220527 DLCWNVIPIJWEAD-GOSISDBHSA-N 399.397 3.845 0 40 GHAB Cc1c(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)oc2c(F)cccc12 257333324 YBCILUBKGBYCMC-AVRDEDQJSA-N 383.419 3.925 0 40 GHAB C[C@H](c1ccccc1)[C@@H](O)CNC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1 1633802973 IJABWWYVTCILAH-PXAZEXFGSA-N 392.377 3.961 0 40 GHAB CC(C)(C)n1nnc(CNc2ccccc2C(=O)Nc2cccc(Cl)c2)n1 656113966 ACGSFUZVAUQAJS-UHFFFAOYSA-N 384.871 3.946 0 40 GHAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](COc2ccncc2)C1 1776000984 SOZJSJVDEBVMCE-INIZCTEOSA-N 378.394 3.961 0 40 GHAB COc1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1OCC(=O)NC1CC1 72310344 KKJDVICBKLGEJF-NSCUHMNNSA-N 398.434 3.534 0 40 GHAB COc1ccc(CCNC(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1 654346034 HXENVJIODRRHTO-UHFFFAOYSA-N 390.487 3.770 0 40 GHAB O=S1(=O)C[C@H]2[C@H](C1)[C@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 5883350 PCFRRWOHRVAVDS-NEWJYFPISA-N 388.488 3.878 0 40 GHAB CC[C@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1ccc(OC)cc1 11238025 JUEKRGCDHGHZFY-IBGZPJMESA-N 395.459 3.954 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1cc(OC)cc(OC)c1 12757988 WFRLIZLMZCBSHP-NKSUMMKUSA-N 382.460 3.884 0 40 GHAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H]2CCCO2)c1 12912138 JFVOHUBUDFAWFX-FQEVSTJZSA-N 391.471 3.516 0 40 GHAB CC[C@@H](C(=O)NC(C(C)C)C(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O 13712212 NZYXQEJHPOCPSV-INIZCTEOSA-N 388.961 3.681 0 40 GHAB COc1cccc2c(C)nc(Nc3nc(C)c(Cc4ccccc4)c(=O)[nH]3)nc12 14608247 IZJVOKYIOGYVBS-UHFFFAOYSA-N 387.443 3.673 0 40 GHAB O=C(CC1CCCC1)N[C@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccc(F)cc1 19332436 HOJKPAAVNLQDMD-LJQANCHMSA-N 383.467 3.767 0 40 GHAB CCCC(=O)N1CC[C@@](Cc2ccccc2-c2cccc(C)c2)(C(=O)NC)C1 19501050 FVLKXZMNKYOKJT-DEOSSOPVSA-N 378.516 3.969 0 40 GHAB Cc1c(C(=O)NC2CCN(C[C@H](c3ccccc3)C3CCCC3)CC2)cnn1C 19553442 FMABBGNGQOGHPE-HSZRJFAPSA-N 394.563 3.897 0 40 GHAB CNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C(C)C)CC1 19700450 TZOPZSLTVLBASZ-UHFFFAOYSA-N 378.516 3.907 0 40 GHAB CCn1ccc(C(=O)Nc2cccc([C@@H]3C[C@H](NC(C)=O)C[C@H](C(C)C)O3)c2)n1 19712234 JANRFYAXQYUAMG-NRSPTQNISA-N 398.507 3.536 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)NC3CCCCC3)o2)cc1C 19928048 WCJWFJQMESXMPB-UHFFFAOYSA-N 375.494 3.806 0 40 GHAB COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1Cl 19931722 LMLZEZGEWOFAJX-UHFFFAOYSA-N 389.260 3.626 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)c2ccccc2Br)ccc1O 3256719 WSRIRCVNFORGTP-VQHVLOKHSA-N 391.217 3.603 0 40 GHAB CC(=O)c1ccccc1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 5938286 PRENFMYQGLRWJN-SFHVURJKSA-N 378.457 3.995 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)s1)C1CC1 10547030 LZZPDLLMPFJOCD-AWEZNQCLSA-N 394.500 3.993 0 40 GHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)cc1C 2037912986 JJUGFEFZBJVHIT-DEOSSOPVSA-N 392.499 3.760 0 40 GHAB CCN1Cc2ccccc2NC2(CCN(Cc3ccccc3OC)CC2)CC1=O 2037985579 ONMJPZAHIPKZCK-UHFFFAOYSA-N 393.531 3.894 0 40 GHAB COC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCN(C)C2 4086931 FOGAOTPPFNXIKI-UHFFFAOYSA-N 398.406 3.794 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(F)c3)n2)cc1 12441095 HVHUFKDZZNZNEF-UHFFFAOYSA-N 383.398 3.916 0 40 GHAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)[C@H]1CC(=O)N(c2ccccc2)C1 12636472 IIZCWTKVCLELMJ-HNNXBMFYSA-N 395.846 3.664 0 40 GHAB O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CC(N2C(=O)CSC2=O)C1 206955306 XPMBXZFDHBSDCD-UHFFFAOYSA-N 386.860 3.527 0 40 GHAB O=S(=O)(Nc1ccccc1-c1cn2c(n1)SCC2)c1ccc(F)c(F)c1 575610725 OLENYZSNYXRQJT-UHFFFAOYSA-N 393.440 3.735 0 40 GHAB CCc1nc2ccc(C(=O)NCc3cncc(-c4ccnn4C)c3)cc2s1 585402139 BLUVEORFZKINGM-UHFFFAOYSA-N 377.473 3.584 0 40 GHAB COC(=O)c1ccc(C(=O)NCc2ccc([C@@H](O)c3ccccc3)s2)cc1 211090780 JFQPIVZYDKYSMJ-IBGZPJMESA-N 381.453 3.546 0 40 GHAB COc1ccc(C(=O)Nc2nnc(-c3ccc(Br)s3)o2)cc1 11695440 KGWCUYSBMODVST-UHFFFAOYSA-N 380.223 3.822 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)C1 40090851 JVFXEINGCGHNME-HUUCEWRRSA-N 380.444 3.786 0 40 GHAB CSc1ccc([C@H](CNC(=O)c2cc[nH]n2)N2CCc3sccc3C2)cc1 40142349 NWVPQHBEQWTZMX-SFHVURJKSA-N 398.557 3.723 0 40 GHAB CCc1[nH]c(C(=O)NCc2ccnc(Oc3ccccc3)c2)c(C)c1C(=O)OC 40110650 NLJMPSJQMGWKGM-UHFFFAOYSA-N 393.443 3.789 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 30672922 IXWVWNFZURSQPH-DLBZAZTESA-N 398.469 3.717 0 40 GHAB O=C(O)C1CCN([C@H]2C(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)CC1 20102534 ZZCBMVDTMVTKTJ-RBUKOAKNSA-N 384.863 3.589 0 40 GHAB CCN1CCc2nc3sc(C(=O)Nc4ccccc4OC)c(N)c3cc2C1 20289914 YPZGHAHNTTWONC-UHFFFAOYSA-N 382.489 3.517 0 40 GHAB CN(C)C[C@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 31496052 CIAZBLYVTFXOQJ-FQEVSTJZSA-N 381.501 3.755 0 40 GHAB CN(Cc1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1)C1CCCCC1 32904220 QYEWECMNVLCWCV-UHFFFAOYSA-N 390.491 3.679 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1OC 648677 MPNBVMSDPFTKIV-UHFFFAOYSA-N 382.489 3.628 0 40 GHAB COc1cccc(NC2=C(Cl)C(=O)N(c3cc(Cl)ccc3OC)C2=O)c1 939175 QJCKLJBYRINQON-UHFFFAOYSA-N 393.226 3.793 0 40 GHAB CC(C)[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccccc1 1381298 PKPUXTHHTYYRQY-ZDUSSCGKSA-N 387.288 3.948 0 40 GHAB CCOc1cccc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)c1 2205264 VJDKUAUBHQAHBC-UHFFFAOYSA-N 393.443 3.626 0 40 GHAB COc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2N)cc1OC 2264192 QSRWMINAVAZEAK-UHFFFAOYSA-N 376.869 3.622 0 40 GHAB COCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 2417317 GQPDLYCUZZTYMN-IRXDYDNUSA-N 397.866 3.663 0 40 GHAB COc1cccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c1OC 2427415 PIXPLLXUIRFZQD-KHMHUBCMSA-N 378.472 3.731 0 40 GHAB COc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nnnn32)cc1 2914452 NYFVVEWLRMJXEF-HOTGVXAUSA-N 386.253 3.591 0 40 GHAB COC(=O)c1ccc(/C=C2\SC(=O)N(CNc3ccccc3C)C2=O)cc1 3049741 IQCFWBKKIFJGSI-BOPFTXTBSA-N 382.441 3.888 0 40 GHAB CCc1ccc(C(=O)[C@@H](C)OC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1 3367253 AFNJVWUJFJKDLI-JLCFBVMHSA-N 395.480 3.992 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 3386910 OJTOKFZOCQTYAO-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(-c3ccc(Cl)cc3)cs1)CS2 3448961 PWXXXHROFLPDSS-DYVFJYSZSA-N 393.921 3.856 0 40 GHAB CCc1ccc([C@]2(O)CN(c3cc(OC)ccc3OC)C3=[N+]2CCCCC3)cc1 4086867 VPDYHWWOPZCXRM-XMMPIXPASA-N 395.523 3.917 0 40 GHAB Cc1cccc(NC(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)c1 4164068 PYBPIJPKTAEFMS-UHFFFAOYSA-N 375.457 3.831 0 40 GHAB COc1ccc(CCn2cnc3c([nH]c4ccc(Cl)cc43)c2=O)cc1OC 4860372 NQLMLVBRTLNPEL-UHFFFAOYSA-N 383.835 3.791 0 40 GHAB NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 5013612 RKXIMOYGFQNZTD-QBFSEMIESA-N 378.453 3.815 0 40 GHAB COc1cc(CCC(=O)Nc2ccccc2N2CCCC2)cc(OC)c1OC 5089926 ULLLHLDRQFXCRG-UHFFFAOYSA-N 384.476 3.884 0 40 GHAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)C[C@@H]1COc2ccccc2O1 5118861 DNRIDEVNQBAYAR-GXTWGEPZSA-N 378.831 3.578 0 40 GHAB CCOC(=O)[C@@H](Sc1cc(C)nc2c(-c3ccccc3)c(C)nn12)C(C)=O 5576444 DBSINLIINXCFBD-SFHVURJKSA-N 383.473 3.626 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2Cl)c1C 5692313 RVQJNUDRSDEROC-LBPRGKRZSA-N 377.824 3.890 0 40 GHAB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 5864247 WUFOGPVDUJINOK-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2 6097652 GQBFEVAIBZERAC-LLVKDONJSA-N 380.901 3.786 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 6235726 GXTGIHDCTMQEGY-GFCCVEGCSA-N 392.249 3.950 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cccc(F)c2)ccc1Cl 6461601 NWVKDXZHIMAFOQ-UHFFFAOYSA-N 399.871 3.867 0 40 GHAB CN(C)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 6550035 SPNJYTHHJUVILV-OUKQBFOZSA-N 385.423 3.747 0 40 GHAB CC(C)OCCCNC(=O)c1cc(Br)c(Br)s1 6559837 GNRWQRBIHMXZNG-UHFFFAOYSA-N 385.121 3.818 0 40 GHAB O=C(Cc1ccc(-c2ccccc2)cc1)OCc1cc(=O)n2ccsc2n1 6605039 PGXQEAXBNOGHTP-UHFFFAOYSA-N 376.437 3.709 0 40 GHAB O=C(COc1cccc(N2CCCC2=O)c1)NCc1ccc(Cl)cc1Cl 7064350 XJJZGDDCCVYCOE-UHFFFAOYSA-N 393.270 3.815 0 40 GHAB Cc1ccc2nc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)oc2c1 7366954 JAGCFVPDCDFXNI-UHFFFAOYSA-N 385.464 3.716 0 40 GHAB O=C(/C=C/c1cccs1)NC(=S)Nc1ccc(OC[C@@H]2CCCO2)cc1 7446928 INKCTGLZNWTNPC-SCOAYWHSSA-N 388.514 3.832 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCCC2=O)cc1 7490545 OIMAICJAPKONLW-UHFFFAOYSA-N 376.378 3.691 0 40 GHAB COc1cccc(CN(C)CC(=O)Nc2ccc(Br)cc2F)c1 7683439 PXWRWRDMJKRBNE-UHFFFAOYSA-N 381.245 3.667 0 40 GHAB COc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1OC 7778235 DLVUKIIVQPFHMK-UHFFFAOYSA-N 375.471 3.898 0 40 GHAB CCc1cccc(NC(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)c1 7920745 OPPAHEQLKGGERE-INIZCTEOSA-N 375.515 3.781 0 40 GHAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 7942672 REDVEFBBVYSPHL-ZDUSSCGKSA-N 390.468 3.553 0 40 GHAB Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1Cc1ccc(F)cc1 8343903 SKGFORDDKNGDNS-UHFFFAOYSA-N 385.468 3.589 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1C(N)=O 8567460 VOYJVPTYNMLEMY-SECBINFHSA-N 397.656 3.607 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1nc2ccccc2n1C 8719837 YZOFHEFUMYQTCP-UHFFFAOYSA-N 391.500 3.510 0 40 GHAB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccc(F)c1 8748147 LYAXDGYUEYHTIT-OAHLLOKOSA-N 397.427 3.658 0 40 GHAB Cc1csc2nc(CSCc3cc(Cl)c4c(c3)OCO4)cc(=O)n12 8777248 UCETUQVGENRUBG-UHFFFAOYSA-N 380.878 3.880 0 40 GHAB O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1ccccn1)c1ccccc1 8979386 XZOANJPKBYIZOH-INIZCTEOSA-N 392.484 3.527 0 40 GHAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC(C)(C)C 9250355 ZUYMCGLTNIOJMN-UHFFFAOYSA-N 386.517 3.900 0 40 GHAB O=C(CCC(=O)NC1CCCCCCC1)Nc1nnc(C(F)(F)F)s1 9360390 JDTWLVFHLHLNBP-UHFFFAOYSA-N 378.420 3.505 0 40 GHAB Cc1ccc(SCCNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 9889131 HUOVVRBECWWGLD-UHFFFAOYSA-N 393.512 3.889 0 40 GHAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 10321216 LBBVHCQXGSZYEA-UHFFFAOYSA-N 389.811 3.567 0 40 GHAB C[C@H]1CCCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)C1 10541599 IODFXAXUKFZDPD-BTYIYWSLSA-N 384.501 3.926 0 40 GHAB Cc1cc(N2CCCC2)ccc1NCC(=O)N1c2ccccc2NC(=O)C1(C)C 11049910 RGHBDYSWYGBKOC-UHFFFAOYSA-N 392.503 3.771 0 40 GHAB CCOC(=O)Cc1csc(SCC(=O)N[C@H](c2ccccc2)C(C)C)n1 11646027 YATWTSXIAGTCGO-SFHVURJKSA-N 392.546 3.854 0 40 GHAB CN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc(F)cc4)n3)cc21 11904280 CQIHEWYLNVWXFZ-UHFFFAOYSA-N 383.404 3.557 0 40 GHAB CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)NCc1cccs1 11971776 AFIYHIQJEJHAFH-CQSZACIVSA-N 386.546 3.747 0 40 GHAB Cc1cc(C)n2nc(C(=O)N[C@@H](c3ccccc3)c3cccnc3)c(Cl)c2n1 12148267 YKPJOQKIKCSUIM-SFHVURJKSA-N 391.862 3.914 0 40 GHAB COc1cc(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)cc(OC)c1O 12187102 XGDPDHWOBTYOJX-SFHVURJKSA-N 375.440 3.730 0 40 GHAB CCc1cc(C(=O)N2CCC[C@@H](c3nn(C(C)(C)C)c4ncccc34)C2)on1 12276650 WWQSTGHSHVFLCZ-CQSZACIVSA-N 381.480 3.757 0 40 GHAB COc1ccc(N(CCc2ccccn2)C(=O)c2cc(C3CC3)nn2C)cc1 12325546 SQJGNFZEFQSSNZ-UHFFFAOYSA-N 376.460 3.591 0 40 GHAB COCCCNc1oc(-c2cccc(C)c2)nc1S(=O)(=O)c1ccccc1 12419179 OBNNHBMHQQQYNG-UHFFFAOYSA-N 386.473 3.931 0 40 GHAB O=C(CCc1nc2ccccc2[nH]1)NCC(=O)Nc1cc(Cl)ccc1Cl 12540084 QJBLKWUWRWVUQV-UHFFFAOYSA-N 391.258 3.557 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(N3CCCC3=O)c2)c1 12594419 JPJGMGCBMMQYGV-FQEVSTJZSA-N 394.471 3.808 0 40 GHAB COc1cccc(CNC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1 12870616 FEBRUOOLKRSQLS-UHFFFAOYSA-N 378.476 3.556 0 40 GHAB Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1Cc1ccco1 12884926 ZFXWHNBXJMROEM-UHFFFAOYSA-N 377.488 3.704 0 40 GHAB Cc1ccc(Cc2cnc(NC(=O)CNC(=O)c3ccccc3F)s2)cc1 12947136 QBWYSAJLBQTWSH-UHFFFAOYSA-N 383.448 3.550 0 40 GHAB CC(C)Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc21 13143987 GSKHLJOPZPEXBG-UHFFFAOYSA-N 394.500 3.770 0 40 GHAB COc1ccc(OCc2nc3c4c(C)c(C)n(CC(C)C)c4ncn3n2)cc1 13624419 GAGWARZNARIJFQ-UHFFFAOYSA-N 379.464 3.939 0 40 GHAB CN(c1ccc(C(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1cccs1 13680593 VHILRUONFIXUCX-UHFFFAOYSA-N 390.461 3.965 0 40 GHAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Oc3c(F)c(F)cc(F)c3F)ccc21 14199337 YPMZAMBXBVGWTG-SECBINFHSA-N 381.325 3.802 0 40 GHAB O=C(c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CCCC1 15344346 VYJLBOSZUIRQOM-UHFFFAOYSA-N 398.406 3.742 0 40 GHAB COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1Cl 16639294 SAEIRKBPJSQNKJ-UHFFFAOYSA-N 391.836 3.832 0 40 GHAB CCOc1ccc(NC(=O)Cn2c(C)nc3c(sc4ccccc43)c2=O)cc1 16841902 MBJDBJRIGBSTRQ-UHFFFAOYSA-N 393.468 3.957 0 40 GHAB O=C(NCCn1c(C(F)(F)F)cc(=O)c2cccc(F)c21)C1CCCCC1 19345087 UUPREKMKBDHHTA-UHFFFAOYSA-N 384.373 3.856 0 40 GHAB COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4cccc(OC)c4F)[C@H]3C2)cc1 19553165 IOGYDRZOGHHBQJ-XLIONFOSSA-N 398.478 3.580 0 40 GHAB CCCN1CCO[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19762497 VIUITSKIQWGBPA-SFHVURJKSA-N 382.489 3.727 0 40 GHAB CCCCOc1ccccc1C(=O)NCC1(N2CCN(C)CC2)CCCCC1 19902024 DCCDRFGPTCDQIA-UHFFFAOYSA-N 387.568 3.546 0 40 GHAB CC(C)=CC[C@@H]1[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1(C)C 20161436 IIZCTMQLLDIIEZ-WIYYLYMNSA-N 384.520 3.688 0 40 GHAB Cc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@H]2CCCO2)s1 21336944 CULBWRSLRHBOAK-QGZVFWFLSA-N 386.517 3.933 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCN(CCc2ccccc2)CC1 22916153 PUHMHHASOHGPSP-SFHVURJKSA-N 385.939 3.836 0 40 GHAB CCc1cccc(NC(=O)COc2ccc(I)cc2)c1 23658627 FTHSUIRCKFXKCZ-UHFFFAOYSA-N 381.213 3.871 0 40 GHAB Cc1cc(NC(=O)Nc2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)no1 24687323 MBNSUKVNIHXMBV-UHFFFAOYSA-N 380.360 3.608 0 40 GHAB Cc1ccc(CNC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1F 27172210 YVMLKUCZOKWDEN-NRFANRHFSA-N 376.431 3.922 0 40 GHAB COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)cc(OC)c1OC 27795639 IUUNAQZPBZVVDM-UHFFFAOYSA-N 385.445 3.792 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 28647522 UBAVXLCTLYRIGB-UHFFFAOYSA-N 392.440 3.616 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(C(F)(F)F)nc2)c(C)c1 36661871 JUCJQISBRSALNM-UHFFFAOYSA-N 379.382 3.736 0 40 GHAB O=C(CCSc1ccccc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38946510 OEVLTWZWARNANO-RTWAWAEBSA-N 394.540 3.643 0 40 GHAB Cc1cccc([C@@H](CC(=O)N2CCC(CCc3ccccc3)CC2)NC(N)=O)c1 40069446 RYHLJKVLRYUUPB-JOCHJYFZSA-N 393.531 3.966 0 40 GHAB O=C(CCc1ccco1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40107808 OIWRLGFOSIPICG-QGZVFWFLSA-N 394.393 3.711 0 40 GHAB C[C@@H]1CCc2sc(C(=O)N3CCC[C@H]3C(=O)Nc3nccs3)cc2C1 41815230 CLVOOFPFXKRBHU-YPMHNXCESA-N 375.519 3.573 0 40 GHAB CCC(CC)[C@H](CNC(=O)Nc1cc(NC(C)=O)ccc1F)N1CCCC1 44077319 YQTCGERCYCAUGL-IBGZPJMESA-N 378.492 3.806 0 40 GHAB COc1cccc(CN(Cc2c[nH]nc2C(C)(C)C)C[C@H]2CCCO2)c1OC 57810959 ILTPSJNNHWXQIT-GOSISDBHSA-N 387.524 3.906 0 40 GHAB Cc1cccc(OC2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)c1C 58079772 UEFFJNBAOOWTMB-UHFFFAOYSA-N 383.517 3.725 0 40 GHAB COc1ccc(-c2nnc(Cc3nc(-c4ccc(OC)c(F)c4)no3)o2)cc1 65185517 GQCKSXKWMSAJEN-UHFFFAOYSA-N 382.351 3.534 0 40 GHAB COc1ccc([C@@H](NC(=O)c2ccc([S@](C)=O)cc2)c2ccccc2)cc1 65552595 FQESAISDXPUHJI-KDYSTLNUSA-N 379.481 3.952 0 40 GHAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(N)=O)cc2)nc1 67296499 PBBHSLTZLVQMII-RWEWTDSWSA-N 398.422 3.720 0 40 GHAB CC(C)(C)c1cc(CC2(NCc3ccc(OC(F)(F)F)cc3)COC2)no1 67897826 ZXENGTZFDDETBV-UHFFFAOYSA-N 384.398 3.972 0 40 GHAB biogenic,in-vitro Cc1ccc(C)n1-c1c(C(=O)O[C@@H](C)c2ccc3c(c2)OCCO3)cnn1C 71825169 QDHKGFRAEICFQZ-HNNXBMFYSA-N 381.432 3.517 0 40 GHAB COC(=O)[C@@H](C)[C@@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccccc1 72312101 YJEUHHBKMBTXKD-IFXJQAMLSA-N 397.862 3.806 0 40 GHAB CCN1CCN(C(=O)CC(C)(C)C)[C@@H](Cc2ccccc2-c2cccnc2)C1=O 72351550 CBCLLELRQRSDEB-NRFANRHFSA-N 393.531 3.787 0 40 GHAB C[C@H](Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1)C(=O)N1CCNC1=O 83927546 IHMHXUPLEOVXMW-LBPRGKRZSA-N 377.366 3.725 0 40 GHAB O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cccnc1N1CCCC1 84357701 KQVHIZSOUXMMDR-UHFFFAOYSA-N 399.922 3.813 0 40 GHAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCC(c2ccc(O)cc2)CC1 84752641 UADRSXSMLQIFHF-HSZRJFAPSA-N 392.499 3.634 0 40 GHAB O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CCO[C@@]2(CCc3ccccc32)C1 89858070 PXARUFYJCWLATP-QFIPXVFZSA-N 393.874 3.840 0 40 GHAB COCCn1cc(CCC(=O)Nc2ccc3c(c2)COC3=O)c2ccccc21 95473873 FYZWZOJUNDHBOL-UHFFFAOYSA-N 378.428 3.529 0 40 GHAB COc1cc([C@@H]2CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c32)ccc1O 96118205 LKTBHIMMGYFBOQ-HNNXBMFYSA-N 386.411 3.609 0 40 GHAB COc1ccccc1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 101740680 QWMZKHKTCYUSJS-RCRDTURJSA-N 377.868 3.755 0 40 GHAB CN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)N(C)C1=S 111673652 PGMXEAZZJHNFLD-ZHZULCJRSA-N 391.496 3.750 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2C)cc1Cl 222758865 QYAROJSOVAIRFG-UHFFFAOYSA-N 397.880 3.943 0 40 GHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C 223492315 XBHMQZUIVJNHLV-VQTJNVASSA-N 377.517 3.605 0 40 GHAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccccc1OC 224574659 LJWXRNQVVWRDHB-SFHVURJKSA-N 385.460 3.582 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 224774384 ZYSYMFYMCHIULC-LJQANCHMSA-N 382.504 3.626 0 40 GHAB CCCC(=O)N(Cc1cccc(OC)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C 225136195 PPKHRPMOVMYSDE-JOCHJYFZSA-N 396.531 3.960 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 225397912 YTPCNCDUBYIGOC-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(SCC(C)C)s2)c(C)c1C 225494209 GERAQYZGCAHYBA-UHFFFAOYSA-N 387.552 3.712 0 40 GHAB CS(=O)(=O)N[C@H](CC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 225950918 VEUWMUHTVYSKBY-OAHLLOKOSA-N 387.288 3.613 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)nc(N)n1 257205379 AYTUEMZWBUIANZ-KRWDZBQOSA-N 397.866 3.577 0 40 GHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 257298783 RNHAIUZMMSVVMO-XUKPVSMISA-N 375.484 3.861 0 40 GHAB CCOc1ccccc1-c1nc(SCC(=O)N2CCCc3ccccc32)n[nH]1 408547478 XLEYFBNAZOALIF-UHFFFAOYSA-N 394.500 3.942 0 40 GHAB CCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C 408628780 XLKYWQSTUHIATR-UHFFFAOYSA-N 385.468 3.871 0 40 GHAB C[C@@H]1CCC2=NN(C(=O)CSCc3ccccc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409350981 VCZPOHDCTFAKND-SUYBPPKGSA-N 386.439 3.805 0 40 GHAB Cc1cc(NC(=O)NCCCOCCOCc2ccccc2)cc2n[nH]cc12 507226745 WYQDUGNKKOXJNX-UHFFFAOYSA-N 382.464 3.616 0 40 GHAB Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1OCc2cc(Cl)ccc21 653797275 YWKBOMHUSNCCOP-OUQPWMGESA-N 385.895 3.972 0 40 GHAB CC(C)N(C[C@H]1CCC(=O)N1)C(=O)NCCc1ccc(-c2ccccc2)cc1 665730610 UAUWAADXXVBZAV-OAQYLSRUSA-N 379.504 3.595 0 40 GHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C[C@]23CCCC[C@@H]2C3(F)F)c1 665827283 ZKRGABPRSSLVQW-FXAWDEMLSA-N 391.462 3.930 0 40 GHAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC[C@H](Oc2cnsn2)C1 670951230 FLEGMPLKBRZHGN-KRWDZBQOSA-N 385.420 3.763 0 40 GHAB CO[C@@H](CNC(=O)N[C@@H]1CCCc2nc(O)ccc21)c1ccccc1Cl 675711171 OYEZOOMUDLXRKO-SJORKVTESA-N 375.856 3.505 0 40 GHAB CC1CCC(C(=O)N2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)CC1 1565542384 UJXKGXXNRZROEA-BPPGQLARSA-N 386.536 3.822 0 40 GHAB Cn1cc([C@H]2CCCN(C(=O)c3[nH]c4ccc(Cl)cc4c3Cl)C2)nn1 1606959388 JKXLBTGIWOZCCC-JTQLQIEISA-N 378.263 3.623 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1cc2ccccc2oc1=O 1889073849 BTJWMIFOUARMEH-CQSZACIVSA-N 381.409 3.578 0 40 GHAB Cc1cccc(S(=O)(=O)N2CCC(COc3ccncc3Cl)CC2)c1 1889211962 USPZZEFDXCCOQA-UHFFFAOYSA-N 380.897 3.523 0 40 GHAB O=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 714012 XXYOZWRVZGBZEN-LLVKDONJSA-N 377.213 3.580 0 40 GHAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1OCc1ccccc1 727586 IZQWYRTXQNCJNC-FQEVSTJZSA-N 380.444 3.799 0 40 GHAB Cc1ccc(Cl)cc1N(CC(=O)Nc1c(C)cccc1C)S(C)(=O)=O 827648 PDYZQEOOFINRFY-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)NC1CCCC1 905199 KIPDABYWZGLXFX-UHFFFAOYSA-N 385.537 3.996 0 40 GHAB COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)C[C@@H](C)CC4)cc1 2294107 PXOPBHQTQOPEHY-NSHDSACASA-N 380.473 3.537 0 40 GHAB Cc1ccc(OC(=O)c2ccc(N3C(=O)c4cccc(N)c4C3=O)cc2)cc1C 3195615 QDECGWYOQYRDNC-UHFFFAOYSA-N 386.407 3.905 0 40 GHAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1 3251248 VPCHZWOCHJUTLD-UHFFFAOYSA-N 382.388 3.591 0 40 GHAB CCOc1ccc(NC(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1 4315091 GWTQPIAKKUBPJT-UHFFFAOYSA-N 378.476 3.780 0 40 GHAB COC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 4365612 DIXWLFJFGVVXDF-JTQLQIEISA-N 392.839 3.832 0 40 GHAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 4513747 XIWOTOTXNBOVLE-SFHVURJKSA-N 393.226 3.689 0 40 GHAB C[C@@H]1CCN(C(=O)COC(=O)c2n[nH]c3ccccc23)c2ccccc2S1 4822948 ISTORLYGCFJOOF-CYBMUJFWSA-N 381.457 3.637 0 40 GHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc1OC 5008339 WZHOEAYIQVTWMT-FQEVSTJZSA-N 395.459 3.587 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1cccn(Cc2cc(C)ccc2C)c1=O 5270039 FHZDNDJAIHITBO-UHFFFAOYSA-N 390.439 3.552 0 40 GHAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NCCc1ccccc1 5359506 FZHZWPKNIQWYGA-UHFFFAOYSA-N 387.650 3.558 0 40 GHAB CCOc1ccc(CCNC(=O)COC(=O)c2cc(C)ccc2C)cc1OCC 5605738 XLXDPSRXNHVYIO-UHFFFAOYSA-N 399.487 3.617 0 40 GHAB Cc1ccc(NC(=O)NC(=O)CSc2nnc(C)n2-c2ccccc2)c(C)c1 6109079 ICADKZRPGPWASM-UHFFFAOYSA-N 395.488 3.633 0 40 GHAB COc1cccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)c1 6808763 BXSXSRQDGRCSBT-UHFFFAOYSA-N 391.471 3.626 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCCOc2cccc(Br)c2)cc1 6905538 RNPLXRZZIPZVFQ-UHFFFAOYSA-N 378.222 3.643 0 40 GHAB COc1ccc(C2=NN(C(=O)CSc3ncccn3)[C@@H](c3ccco3)C2)cc1 6913304 IAOZGJSTKIZXPI-QGZVFWFLSA-N 394.456 3.548 0 40 GHAB CCCNc1c(NS(=O)(=O)c2ccc(CC)cc2)c(=O)oc2ccccc12 6914096 RRYPWNZKBHXLIV-UHFFFAOYSA-N 386.473 3.978 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 7066386 XJIWEMNOVRISEY-UHFFFAOYSA-N 393.395 3.953 0 40 GHAB Cc1nc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)n(C2CCCC2)c1C 7140037 BYPROLVENHHGSG-UHFFFAOYSA-N 385.489 3.921 0 40 GHAB CCCc1nnc(S/C(=C\c2cc(Br)ccc2OC)C(=O)O)[nH]1 7342271 JLZGZOJFKKELLP-WQLSENKSSA-N 398.282 3.746 0 40 GHAB C[C@H](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccccc1 7779388 XMTLXOTVZPQQCX-CYBMUJFWSA-N 380.897 3.723 0 40 GHAB O=C(Cc1noc2ccccc12)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7807963 LAGNQYFIHNOVOS-UHFFFAOYSA-N 387.443 3.994 0 40 GHAB O=C(NCCCn1cnc2ccccc21)c1cc(Br)ccc1F 8136533 GZNVXAGRCQGSQD-UHFFFAOYSA-N 376.229 3.758 0 40 GHAB CCOc1c(Br)cc(CNCc2ccc3c(c2)OCO3)cc1OC 8253357 OTXODVKVJYMSGW-UHFFFAOYSA-N 394.265 3.875 0 40 GHAB Cc1cccc(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)c1C 8412408 QMVGLSMNNUQFPX-UHFFFAOYSA-N 394.349 3.600 0 40 GHAB CCOc1ccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 8500093 PBBBESGOSSWKAG-UHFFFAOYSA-N 390.505 3.579 0 40 GHAB C[C@@H]1CCc2onc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2C1 8595952 NLIZXMGPLIAIKR-CYBMUJFWSA-N 393.409 3.781 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)no3)n2C(C)C)cc1 8735595 FZHKZGIGROYVTL-UHFFFAOYSA-N 387.465 3.562 0 40 GHAB COc1ccc2cc(CNC(=O)CNC(=O)c3cc(C)cc(C)c3)ccc2c1 9874439 WIVYASYYGADNMZ-UHFFFAOYSA-N 376.456 3.511 0 40 GHAB Cc1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)c2n[nH]c3ncccc23)s1 12088233 CBZTXCGSUULWFE-INIZCTEOSA-N 377.473 3.745 0 40 GHAB CN(C(=O)c1cccc(NC(=O)C2Oc3ccccc3O2)c1)C1CCCCC1 12197252 DSNUOWNOMFMKLH-UHFFFAOYSA-N 380.444 3.827 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)cc2n1 12257650 CWLQHFFWODHSDC-AWEZNQCLSA-N 380.414 3.953 0 40 GHAB Cc1nn(C)c(C)c1/C=C(/[C@@H](O)c1ccc(Cl)cc1Cl)n1cncn1 12320957 FBGSUFAVICBVTR-UGIZUQJLSA-N 378.263 3.667 0 40 GHAB CCC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 12365825 HNDUJOWHQIEDDN-KBXCAEBGSA-N 379.476 3.901 0 40 GHAB Cc1nc(COc2ccccc2C(=O)NCc2nc3ccccc3n2C)cs1 12547800 YGGRAXOKBAWFOP-UHFFFAOYSA-N 392.484 3.847 0 40 GHAB COc1ccc([C@@H](CNc2ncnc3c2cnn3-c2ccccc2)N(C)C)cc1 12601305 PEKRAXSTLBIORP-HXUWFJFHSA-N 388.475 3.539 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(Br)ccc1F 12765457 XLLKNMYFONMPBM-LBPRGKRZSA-N 380.213 3.500 0 40 GHAB Cn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(Cl)cc3Cl)nc21 12815221 MZBSDBISICZWKT-UHFFFAOYSA-N 390.148 3.614 0 40 GHAB O=C(Cc1csc(NC(=O)c2cccs2)n1)N[C@H]1CCOc2ccccc21 12920571 CLAIOAYWIHSUQI-AWEZNQCLSA-N 399.497 3.639 0 40 GHAB CCCc1ccc(-c2nc(NC(=O)C3CCN(C(N)=O)CC3)sc2C)cc1 13007532 BYNBLTWAZXXBTI-UHFFFAOYSA-N 386.521 3.800 0 40 GHAB COc1ccc(Br)cc1CN(C)C(=O)CCc1c(C)noc1C 14119350 WPYAXSFYCKNLAG-UHFFFAOYSA-N 381.270 3.654 0 40 GHAB CCNC(=O)Nc1sc2c(c1C(=O)OCC)CCN(Cc1ccccc1)C2 14162668 MYASUGXZFOFSRL-UHFFFAOYSA-N 387.505 3.625 0 40 GHAB O=C(N[C@H]1CCSc2ccccc21)[C@@H]1CCCN1c1ncnc2ccccc12 14197935 NSUCOBRXRNJALQ-OALUTQOASA-N 390.512 3.952 0 40 GHAB CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 14198530 OSVKAYBLIPGIQE-UHFFFAOYSA-N 387.379 3.618 0 40 GHAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 14249977 HKKDGQVQSDMVGR-GFCCVEGCSA-N 375.494 3.975 0 40 GHAB COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(C)cc3)ccc2c1 15136374 SGRKTZUDAAMKOV-UHFFFAOYSA-N 376.456 3.545 0 40 GHAB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 15197206 MZXPHHCGOPZEHJ-CQSZACIVSA-N 383.469 3.743 0 40 GHAB COc1cccc2cc(C(=O)NCCCSc3ccc(F)cc3)c(=O)oc12 15496871 ORNZWPRHBHFBOS-UHFFFAOYSA-N 387.432 3.853 0 40 GHAB CCOC(=O)c1c[nH]nc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 19074476 SGYAIAUEMTXAPE-UHFFFAOYSA-N 395.259 3.876 0 40 GHAB C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)Cc1ccc(F)cc1 19575456 GAGBJTIVRMCGDA-GFCCVEGCSA-N 379.357 3.942 0 40 GHAB CN1CCN(Cc2ccncc2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19589485 PMNWWGNYOVQZPY-OAQYLSRUSA-N 391.540 3.943 0 40 GHAB O=S(=O)(c1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19893118 GBTQTSQIUGSRAU-UHFFFAOYSA-N 398.553 3.844 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc(C)cc1 20798494 OOQCUXZZVPRUHM-LJQANCHMSA-N 392.455 3.824 0 40 GHAB Cc1cc(C(=O)/N=c2/sccn2Cc2ccccc2F)c2c(C)noc2n1 22138117 BBIKIBDEXXVPEA-ZBJSNUHESA-N 382.420 3.631 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1C 22330759 QXHNCOZJWZSWLW-HNNXBMFYSA-N 394.924 3.600 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1F)N1CC=C(c2c[nH]c3ncccc23)CC1 22405826 QFZFUYQPHTZPFA-UHFFFAOYSA-N 391.855 3.833 0 40 GHAB COc1cccc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)c1 22906974 PKTLIFXSVRMARC-OAQYLSRUSA-N 376.456 3.818 0 40 GHAB Cc1ccc(CNC(=O)Cc2cc(O)nc(SCc3ccccc3)n2)cc1 23137998 PQQWTNPQLCKMHQ-UHFFFAOYSA-N 379.485 3.642 0 40 GHAB Cc1cc(-c2nnc(CN3CCC(C(=O)Nc4ccccc4O)CC3)o2)c(C)o1 24831585 VGXBHFNFSIDBLK-UHFFFAOYSA-N 396.447 3.503 0 40 GHAB CN(C)[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1Cl 28751892 UUKGJIIULQOQDL-LBPRGKRZSA-N 384.793 3.511 0 40 GHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)[nH]2)cc1 28787726 FAVQPPMVYCJLGL-SFHVURJKSA-N 378.432 3.590 0 40 GHAB Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@H](CN(C)C)c3ccccc3)c12 29954042 INQWCVLUFZGVTE-GOSISDBHSA-N 390.443 3.824 0 40 GHAB Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1Cl 30859942 FTOJDFHLPXGDJW-UHFFFAOYSA-N 392.908 3.826 0 40 GHAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1Cl 31240785 UVLLKGAZMXWKHG-UHFFFAOYSA-N 392.330 3.936 0 40 GHAB CCNC(=O)COc1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1 31816876 NYQGKUHWQYLMFU-UHFFFAOYSA-N 379.460 3.644 0 40 GHAB CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc(Cl)c(Br)[nH]1 32936300 PCWMRZIYDSQIKD-UWVGGRQHSA-N 391.693 3.767 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CSCc1cc(=O)n2cccc(C)c2n1 33026718 VSLZXDGSPWNBSG-UHFFFAOYSA-N 387.892 3.837 0 40 GHAB CCOc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(OC)cc1 35289571 KAFLZZBWOYUNBT-GOSISDBHSA-N 383.448 3.729 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 37123749 LFGJLTPKLHFJFU-IBGZPJMESA-N 376.391 3.787 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@H](c1cccc(F)c1)N(C)C 37123975 PSARKFXUHJVERP-FCHUYYIVSA-N 395.478 3.509 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCCc1c[nH]c2ccccc12 39479284 KJBGSYXWHBXWJI-UHFFFAOYSA-N 395.478 3.795 0 40 GHAB CC(=O)CCc1ccc(OC[C@@H](O)CN[C@H]2CCSc3ccccc32)cc1 39976572 KDOLEGOURWCPND-RXVVDRJESA-N 385.529 3.775 0 40 GHAB Cc1ccccc1N(CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)S(C)(=O)=O 40068260 SRUBVXSVYUNSDZ-OAHLLOKOSA-N 394.924 3.634 0 40 GHAB O=C(Nc1nc(-c2ccccc2)cs1)C1=NN(Cc2ccccc2)C(=O)CC1 40128109 PZHNRIQFEMVHFO-UHFFFAOYSA-N 390.468 3.927 0 40 GHAB Cc1cc(O[C@H](C)C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)ccc1C(C)C 40145203 ZASYUFDLWBUXQR-CQSZACIVSA-N 399.516 3.842 0 40 GHAB O=C(COc1ccc(C(F)(F)F)cc1)NC1CCN(Cc2ccccc2)CC1 46896790 WWZAIDVKOPPTCU-UHFFFAOYSA-N 392.421 3.865 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1 48020324 IVQBXCRWDJESKD-LJQANCHMSA-N 392.459 3.898 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)s1 48312025 HDHBYBWJGNEBLX-UHFFFAOYSA-N 394.905 3.721 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2cccc(-c3nnco3)c2)C1 48344109 DRWXMARAXNZZDU-INIZCTEOSA-N 391.431 3.619 0 40 GHAB COc1ccc(C2(CNC(=O)c3cc(-c4ccccc4)n[nH]3)CCOCC2)cc1 49513527 PAECAXXQIUIHJQ-UHFFFAOYSA-N 391.471 3.564 0 40 GHAB Cc1nc([C@H](NC(=O)c2cc(-c3cccc(Cl)c3)on2)c2ccccc2)n[nH]1 57796388 MJBSYAXPEFRTTN-GOSISDBHSA-N 393.834 3.941 0 40 GHAB O=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)Nc3ccccc3F)cc21 64959055 OJIDTSWULHPZJD-AWEZNQCLSA-N 376.387 3.679 0 40 GHAB C[C@H](OC[C@H]1CCCCO1)C(=O)N(CCc1ccccc1)Cc1cccnc1 66942729 DMEBMQWRXNWOPJ-SIKLNZKXSA-N 382.504 3.627 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2C1)[C@H]1CCCCN1Cc1ccc(F)cc1 72310104 LYJFSOHTXIRWNJ-WIYYLYMNSA-N 382.479 3.548 0 40 GHAB O=C(CC/C=C/c1ccccc1)NCc1ccccc1CN1CCC(O)CC1 80922661 VCWOXFPYYMBNAQ-ONNFQVAWSA-N 378.516 3.753 0 40 GHAB Cc1ccc(OCc2nc(CNc3ccc4[nH]nc(C(N)=O)c4c3)cs2)cc1 89637022 ZXOHXMBNVFINAS-UHFFFAOYSA-N 393.472 3.618 0 40 GHAB C[C@@H](OC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccccc1C(F)(F)F 89905785 MOJWSUBWGLIAHO-GFCCVEGCSA-N 378.350 3.663 0 40 GHAB Cc1ccoc1C(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CC1)c1ccccc12 96242298 IWYOXPJGRCJEQI-QGZVFWFLSA-N 392.499 3.918 0 40 GHAB CCCc1cc(-c2cc(O)n3nc(COC)c(-c4ccc(OC)cc4)c3n2)no1 100775997 GAHHVPCCWUBLJE-UHFFFAOYSA-N 394.431 3.864 0 40 GHAB Cc1ccc(C(=O)COc2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1 100838537 CABIIBSBQWRQJH-WOJBJXKFSA-N 377.440 3.936 0 40 GHAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 102593109 OLVATNZGYMJPKK-BGJURXJTSA-N 398.462 3.805 0 40 GHAB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](CCC)[C@H]3C2=O)cc1 102698322 GQPKHYLBDZZBAC-PWRODBHTSA-N 394.471 3.954 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 113940383 SRRVESQYJCWNIR-CABCVRRESA-N 394.924 3.680 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 113956561 RYMSSVVXKDOBHO-GOSISDBHSA-N 388.533 3.727 0 40 GHAB Cc1nc(-c2ccc(NC(=O)C(=O)N3CCC[C@H]3c3ccncc3)cc2)cs1 120060073 ATVAEVDWHZXNOS-IBGZPJMESA-N 392.484 3.816 0 40 GHAB Cc1ccc(N2CCC(C(=O)NCc3nc(-c4cccs4)no3)CC2)cc1 219866347 MKIHSYBBROPIAW-UHFFFAOYSA-N 382.489 3.639 0 40 GHAB COc1ccccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 222528756 FTXCUQNIKQUNDG-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB Cc1cc(C)cc(N(CCCC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1 222564758 YLYHKEJGQTZDBF-UHFFFAOYSA-N 388.533 3.508 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3cnc(-c4ccc(F)cc4)nc3)CC2)c1C 222617899 YUTMQUMLTRPMQZ-UHFFFAOYSA-N 390.462 3.862 0 40 GHAB Cc1cc(C(=O)NCc2cccc(F)c2)ccc1NS(=O)(=O)c1ccccc1 224087701 HLGUEBCJYCGPEE-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCC1=CCCCC1 224100550 AHLALBMSOQNUDL-UHFFFAOYSA-N 390.549 3.790 0 40 GHAB CCC(CC)NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 224428963 XVYLDFLQQYXADQ-UHFFFAOYSA-N 388.533 3.734 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1CN1CCCC1 224788252 BYPSLUDEBSVYRS-QFIPXVFZSA-N 382.504 3.765 0 40 GHAB C[C@H](NC(=O)[C@@]1(C)CC1(Br)Br)[C@@H]1C[C@@H]2CC[C@@H]1C2 225634034 NAIUYHATLLRLEU-FTEPDLOASA-N 379.136 3.823 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(C)ccc3OC)ccc21 225723601 XRLVZVDZVRCVMA-UHFFFAOYSA-N 392.502 3.591 0 40 GHAB Cc1cc(Nc2ccnc(CC3CCC(NC(=O)c4ccccc4)CC3)n2)[nH]n1 257209388 BQDZTAIFQFSFIQ-UHFFFAOYSA-N 390.491 3.783 0 40 GHAB C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)N[C@@H]1CCCC[C@@H]2N3C(=O)c1cncs1 257271072 MWRBYSIOMSVQPC-QTKAYYCXSA-N 381.545 3.890 0 40 GHAB COc1ccc(C2(C(=O)N3CCC[C@@H]3CCc3ccncc3)CCOCC2)cc1 257319558 VTAMCGUJUPFQLR-OAQYLSRUSA-N 394.515 3.762 0 40 GHAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC(C)C)cc2)NC(=S)N1 408605600 GDELUESRJLJLOI-SFHVURJKSA-N 376.522 3.858 0 40 GHAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(C)c2)sc2c1CCC2 408617722 IVDOYKBIGLXDDX-UHFFFAOYSA-N 395.502 3.531 0 40 GHAB CCCCCC(=O)NC(=S)Nn1c(CC)nnc1SCc1ccccc1 408623734 RSHLHCRGFBLVRY-UHFFFAOYSA-N 391.566 3.658 0 40 GHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1=O 408642114 NUNYBDSEEZAGTP-KRWDZBQOSA-N 380.444 3.552 0 40 GHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OC(C)=O)c(OC)c3)S2)cc1 408769682 ZCNRGWOPESJQCV-JCAJYURWSA-N 398.484 3.783 0 40 GHAB C[C@@H]1O[C@H](C)[C@H](NCc2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)[C@H]1C 528759075 SKWCQOLKLIHBGM-FNNWNWGMSA-N 387.480 3.692 0 40 GHAB Cc1c(Cl)cc(F)c(NC(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)c1F 560411746 IQRPSOOYHIYZBA-MFKMUULPSA-N 384.814 3.702 0 40 GHAB Cc1nc(CN2C(=O)CC[C@]23CCCN(Cc2cnc(C)s2)CC3)cs1 585100223 IBSLHZFVPKMLMX-IBGZPJMESA-N 390.578 3.764 0 40 GHAB Cc1cc(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)ccc1Cl 585111230 KNBKWEOTRQCCRG-FQEVSTJZSA-N 395.890 3.937 0 40 GHAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)Cc3cccc4ccccc34)C2)n1 585147353 SQAABGLJTHQHSM-HXUWFJFHSA-N 375.472 3.859 0 40 GHAB NC(=O)c1cn(CC(=O)N[C@@H]2CCCc3ccc(Cl)cc32)c2ccccc12 1595834497 WCTCZDMHZGGWFZ-GOSISDBHSA-N 381.863 3.587 0 40 GHAB O=C(N[C@@H]1CCN(C2CCOCC2)C1)c1ccc(-c2cccc(Cl)c2)cc1 1888913399 LZGDVJNRKYDPHO-HXUWFJFHSA-N 384.907 3.990 0 40 GHAB COc1ccc2nc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)sc2c1 1889139144 IWAGGRLMSWXJHI-UHFFFAOYSA-N 395.475 3.779 0 40 GHAB O=C1COC[C@@]2(CCN(Cc3ccc(Cl)cc3F)C2)CN1c1ccccc1 2037983665 BPPZPKFEWONATR-OAQYLSRUSA-N 388.870 3.735 0 40 GHAB Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CO[C@@H](C(C)C)C4 1258824 REZLXFNZNXSBRA-MRXNPFEDSA-N 394.500 3.560 0 40 GHAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2C1=O 2352169 ZJGGIFYVCNFIRW-MRXNPFEDSA-N 384.435 3.577 0 40 GHAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1 2624586 DBQOCMNMDVXNCX-UHFFFAOYSA-N 382.460 3.871 0 40 GHAB CCOC(=O)CSc1nc(Nc2ccc3c(c2)OCO3)c2ccccc2n1 2948916 JSYZNSFMQNVIBL-UHFFFAOYSA-N 383.429 3.757 0 40 GHAB COC(=O)[C@@](NC(=O)Nc1ccc(C)cc1)(Oc1ccccc1)C(F)(F)F 3029144 CQWSLQYHOAZFJP-QGZVFWFLSA-N 382.338 3.627 0 40 GHAB O=C(NCc1ccco1)c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 3043577 IAIRINRZALELBX-UHFFFAOYSA-N 377.425 3.571 0 40 GHAB COC(=O)c1ccccc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 3230315 JRMUNYRJOWUZAD-UHFFFAOYSA-N 399.418 3.606 0 40 GHAB O=c1cc(CSc2nnc(C3CC3)n2Cc2ccccc2)nc2sccn12 3379008 RXTSPWRTWGVYRB-UHFFFAOYSA-N 395.513 3.566 0 40 GHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1 3399760 YHCMAUDVFRUAEA-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB COC(=O)c1cc(NCc2c(F)cccc2Cl)ccc1N1CCOCC1 4037964 MULVGAYILCYSPO-UHFFFAOYSA-N 378.831 3.714 0 40 GHAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)C1CCCCC1 4105929 BFZTWSYNBMTADX-RUZDIDTESA-N 377.897 3.807 0 40 GHAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c(c1=O)S[C@H](C)C2 4265121 FONSSKZWUZMBQH-CYBMUJFWSA-N 389.546 3.648 0 40 GHAB COc1cccc(/C=C2/SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c1 4425599 YBJFBVHJAYUQFB-SFKKXYGYSA-N 385.466 3.722 0 40 GHAB CC[C@H](Sc1nc(C)c(Cc2ccc(O)cc2)[nH]1)C(=O)Nc1cc(C)on1 4742074 YXGQFUIVVDZAFI-INIZCTEOSA-N 386.477 3.820 0 40 GHAB COc1cc(C)cc2oc(=O)c(CC(=O)NCc3ccc(Cl)cc3)c(C)c12 4742690 FKDLICLAFYWNON-UHFFFAOYSA-N 385.847 3.931 0 40 GHAB CCc1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 4873161 BRMNCBFFPQXCHT-LJQANCHMSA-N 390.480 3.570 0 40 GHAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1 5099557 AHFAOFPWRMSAHY-UHFFFAOYSA-N 384.501 3.739 0 40 GHAB CC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1cnc2ccccc2c1=O 5269898 OSAJMHXZGATSPP-QFIPXVFZSA-N 389.499 3.829 0 40 GHAB COc1cc(C(=S)NCCCN2CCCC2=O)ccc1OCc1ccccc1 6530472 YCKSNWUSTZGCNA-UHFFFAOYSA-N 398.528 3.552 0 40 GHAB CCCCC(=O)NC(=S)N(Cc1ccncc1)c1ccc(C(=O)OCC)cc1 6593811 YPCVOGVCSJXULR-UHFFFAOYSA-N 399.516 3.856 0 40 GHAB NC(=O)C1CCN(Cn2nc(-c3ccccc3)n(C3CCCCC3)c2=S)CC1 6658577 FWGNWSHTZZSXFY-UHFFFAOYSA-N 399.564 3.741 0 40 GHAB COc1ccc(Cc2nnc(SCc3ccc(C(=O)O)cc3)o2)cc1OC 7605220 UGWVQVBWVSZJAR-UHFFFAOYSA-N 386.429 3.668 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1 7698936 KSJUIBDJXVTHHH-UHFFFAOYSA-N 390.439 3.918 0 40 GHAB O=C1O[C@@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)Cc2ccccc21 8328809 AEPJABDNIMUIKS-GOSISDBHSA-N 392.480 3.784 0 40 GHAB CN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 8390910 MDSTWHLRXDOXEB-QGZVFWFLSA-N 388.870 3.990 0 40 GHAB CC(=O)NCc1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1 8726071 XQVAPBPUCJFPHI-UHFFFAOYSA-N 381.457 3.961 0 40 GHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1cccc(C(F)(F)F)c1 8774298 KLNJODXPLSIYDI-UHFFFAOYSA-N 376.334 3.618 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1ccc(O)cc1O 8776734 CLVHCURTHVPPBE-UHFFFAOYSA-N 396.468 3.898 0 40 GHAB CCOc1ccc2nc(NC(=O)CNC(=O)c3ccccc3Cl)sc2c1 9154388 AWHZWFRLXIESJQ-UHFFFAOYSA-N 389.864 3.717 0 40 GHAB CCc1cccc2c(C(=O)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c[nH]c12 9227464 LKPUQLGNAXGZMX-UHFFFAOYSA-N 395.484 3.591 0 40 GHAB CC(C)c1ccc(C(=O)NCCCNC(=O)c2ccc3ccccc3n2)cc1 9577566 IGWQAHSMXQHSOE-UHFFFAOYSA-N 375.472 3.908 0 40 GHAB Cc1ccc2c(c1)CCCN2C(=O)CSc1nc(=O)cc(-c2ccccc2)[nH]1 10382509 YHBGPVMTGDKYGV-UHFFFAOYSA-N 391.496 3.817 0 40 GHAB Cc1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)c(Br)c1 11457313 DKLXDEPGZFKVNE-UHFFFAOYSA-N 387.237 3.774 0 40 GHAB CS(=O)(=O)c1ccc(NC(=O)CNc2ccccc2-c2ccccc2)cc1 11619170 TUSWMALGIKARMS-UHFFFAOYSA-N 380.469 3.808 0 40 GHAB COC(=O)c1ccc(CSc2ccc(NC(=O)c3cccc(F)c3)nn2)o1 11737944 LMZDZRQCOUALTF-UHFFFAOYSA-N 387.392 3.540 0 40 GHAB COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2noc3c2CCCC3)cc1 12145711 JSXRCWZEFVRXLZ-SFHVURJKSA-N 392.459 3.555 0 40 GHAB CC(=O)N1CCCc2cc([C@@H](O)CN3CC=C(c4ccccc4)CC3)ccc21 12291296 TWBVHBJETUHIBZ-DEOSSOPVSA-N 376.500 3.808 0 40 GHAB CC(C)[C@@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1nc2ccccc2[nH]1 12525519 QQANNUWMSKOYMX-CQSZACIVSA-N 375.358 3.829 0 40 GHAB O=C1CCCN1c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 12552551 YGCPJZRCCUUVLY-UHFFFAOYSA-N 384.379 3.633 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1csc(-c2cccs2)n1 12770714 CCFRPIMHZGZXND-UHFFFAOYSA-N 378.500 3.836 0 40 GHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)Cc1ccc2ccccc2c1 12773387 XFZSGOBXAHUHJC-UHFFFAOYSA-N 376.456 3.878 0 40 GHAB O=C(Nc1ccccc1Cl)N1CCN(c2ccc(-c3ccco3)nn2)CC1 13606696 SCALYWWDKNAOOB-UHFFFAOYSA-N 383.839 3.744 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)ccc2F)c1 14238058 OXCUBVBHGVAXNT-UHFFFAOYSA-N 384.860 3.762 0 40 GHAB CCOc1cc2c(cc1COC(=O)CCOc1ccc(OC)cc1)O[C@@H](C)C2 14250720 FCSWCIPLANJVFR-HNNXBMFYSA-N 386.444 3.930 0 40 GHAB CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCC[C@@H](C)C3)c(O)n2n1 16690055 MTCLGGPTVZHYHO-CXAGYDPISA-N 386.521 3.889 0 40 GHAB COc1ccc([C@@H]2NC(=O)c3c(nc4c(cnn4-c4ccccc4)c3C)N2)cc1 17173025 BFMICGOHYLXACC-IBGZPJMESA-N 385.427 3.592 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCc1c(F)cccc1Cl)(C3)C2 18210847 CZGOZQUQTBJFLA-LWYUSKRHSA-N 379.859 3.997 0 40 GHAB Cc1ccc(C(=O)COc2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)cc1 18241096 CABIIBSBQWRQJH-BGYRXZFFSA-N 377.440 3.936 0 40 GHAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1cc(O)nc(-c2cccnc2)n1 19083239 MLOGUWSMQOLGMU-CYBMUJFWSA-N 376.482 3.563 0 40 GHAB Cc1cc(C(F)F)n2nc(C(=O)NC3(c4ccccc4F)CCCC3)nc2n1 19117332 UJBYTYGEMIXTPB-UHFFFAOYSA-N 389.381 3.709 0 40 GHAB Cc1nnsc1C(=O)N1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 19564036 LYXAUWYLMXZEGA-SNVBAGLBSA-N 393.419 3.649 0 40 GHAB Cc1cccc(OC2CCN(C(=O)c3cc(=O)n(C)c4ccccc34)CC2)c1 19666424 OFRUBRUQVHSRGK-UHFFFAOYSA-N 376.456 3.531 0 40 GHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN(CC(C)(C)C)C2)n1 19694516 YAPQGBHBGXPMKT-SFHVURJKSA-N 395.551 3.534 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)CCc2ccc(OC)c(OC)c2)c1 20484134 AGHNAMPGEXFLJG-UHFFFAOYSA-N 377.824 3.715 0 40 GHAB COc1ccc2cc(COC(=O)c3ccc([S@@](C)=O)cc3)c(Cl)nc2c1 21648211 OULCGSLTMGYOOL-SANMLTNESA-N 389.860 3.991 0 40 GHAB COc1ccc(CCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1OC 24225281 WHGWVVPMLLHKTO-UHFFFAOYSA-N 393.487 3.540 0 40 GHAB CC(=O)Nc1cc(NCC(=O)Nc2ccc(Br)c(C)c2)ccc1F 24362216 IBXNMNPYJBZYCL-UHFFFAOYSA-N 394.244 3.906 0 40 GHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2OC(F)F)cc1 24638098 QQGOVDVFPYCQFJ-LLVKDONJSA-N 377.343 3.675 0 40 GHAB O=C(CN1C(=O)COc2ccccc21)Nc1cccc(-c2nc3ccccc3[nH]2)c1 24756943 KZUJXMPCXPQVAO-UHFFFAOYSA-N 398.422 3.594 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1N1CCCCC1 25270928 RVBCYTWEYOCDJO-UHFFFAOYSA-N 392.908 3.986 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 25874885 OQMKFCMKLORWFP-AWEZNQCLSA-N 375.490 3.622 0 40 GHAB NC(=O)COc1cccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 26002515 LQWIPUYNPVDNQA-UHFFFAOYSA-N 387.848 3.580 0 40 GHAB Cc1noc([C@@H](C)OC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)n1 27059911 CUNNVEGOLCLDEK-CYBMUJFWSA-N 375.388 3.544 0 40 GHAB CC(C)[C@@H](NCC(=O)N1CCC[C@H](C(N)=O)C1)c1ccc(C2CCCCC2)cc1 27452672 CDAUFLOZOPWVGS-JTHBVZDNSA-N 399.579 3.745 0 40 GHAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1oc2ccccc2c1COC 29234676 USGSWRAEORCRQT-UHFFFAOYSA-N 396.443 3.689 0 40 GHAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(Br)c1 29795376 KTSAUOZNAAJZRI-UHFFFAOYSA-N 375.144 3.673 0 40 GHAB O=S(=O)(NCCc1csc(-c2ccncc2)n1)c1ccc2c(c1)CCCC2 31773241 GUCVLEZQGYODHQ-UHFFFAOYSA-N 399.541 3.605 0 40 GHAB COc1cccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccc(F)cc4)cnn32)c1 32092315 LXZQEDZWRRFMGE-KRWDZBQOSA-N 380.379 3.869 0 40 GHAB COc1cc2s/c(=N/C(=S)NC(=O)c3cccc(C)c3)[nH]c2cc1Cl 32126974 BOBCFMCYARDKQK-UHFFFAOYSA-N 391.905 3.815 0 40 GHAB C[C@H]1Cc2ccccc2N1Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 32777940 HGLWDYGPZOFCCG-ZDUSSCGKSA-N 382.464 3.558 0 40 GHAB Cc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32796051 OOMLPMKNJUFFAZ-GFCCVEGCSA-N 391.240 3.888 0 40 GHAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc(S(C)(=O)=O)ccc1Cl 32972055 BKLFSUSISZPCDK-VIFPVBQESA-N 383.819 3.547 0 40 GHAB CCc1noc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)cc2)n1 35476567 FFFCJWSHXDFIRU-MRXNPFEDSA-N 390.443 3.599 0 40 GHAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1 36392631 LWMFVBBKHWDGGB-UHFFFAOYSA-N 399.545 3.579 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NC1CC1 36601921 LPQRXBMVNPONEO-SCLBCKFNSA-N 396.516 3.510 0 40 GHAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1 39996888 KNJFWTOGURWOMD-SFHVURJKSA-N 379.485 3.503 0 40 GHAB Cc1ccc(-c2nc(C)c(C(=O)Nc3cc(-n4cnnn4)ccc3C)s2)o1 40142388 JEDFFPFUHUWPBQ-UHFFFAOYSA-N 380.433 3.556 0 40 GHAB COc1ccccc1Nc1nc(N)nc(CN2CCC[C@H]2c2ccsc2)n1 40154234 NVXCJHOXOZOQJN-HNNXBMFYSA-N 382.493 3.605 0 40 GHAB CCCCCCn1ccc2nc3ncnn3c(-c3ccccc3OC)c2c1=O 40398167 NWDOCBPCBHDPCY-UHFFFAOYSA-N 377.448 3.695 0 40 GHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@H](C)c1ccc(F)cc1F 42671713 VTFGPYPGJWOIED-ADLMAVQZSA-N 396.384 3.875 0 40 GHAB CCCCNC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 44173883 PVJOCZZCGCSFOW-UHFFFAOYSA-N 387.530 3.515 0 40 GHAB COc1ccc(/C=C/C(=O)NCc2ccccc2-n2ccnc2C)cc1OC 44885010 QEOHXUCLPYFCCV-PKNBQFBNSA-N 377.444 3.528 0 40 GHAB CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2ccccc2O)s1 49548718 QUVNUKLEWFEDDH-UHFFFAOYSA-N 381.457 3.963 0 40 GHAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1 55578655 FELDJVAPUQYRCB-UYAOXDASSA-N 377.488 3.687 0 40 GHAB C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)C(=O)NCc1ccc2c(c1)OCO2 57380599 AQCCQJBELZPLRW-HOTGVXAUSA-N 380.488 3.650 0 40 GHAB CCc1cc(=O)n(CC(=O)N(CC)c2cccc(C)c2)c(-c2cccc(F)c2)n1 57508112 YDTBEISXALDXAC-UHFFFAOYSA-N 393.462 3.973 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccccc2CC)c(-c2cccc(F)c2)n1 57508149 CNMNTWMQWQUYEM-UHFFFAOYSA-N 379.435 3.813 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)NCc2cn3ccsc3n2)c1 58314109 WLLDVIBYHLTOEZ-UHFFFAOYSA-N 382.445 3.510 0 40 GHAB Cc1ccc([C@H](CNC(=O)Cc2ccc(Br)cc2)N2CCCC2)o1 58415731 NFUIBTIQNYZSNW-KRWDZBQOSA-N 391.309 3.846 0 40 GHAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 72377127 ZOIXZUPCNFYUKL-MRXNPFEDSA-N 397.479 3.997 0 40 GHAB CN(C)c1ncccc1C(=O)NCC1(c2cccc(Br)c2)CCC1 83852392 LRSYYTAMWDOZEB-UHFFFAOYSA-N 388.309 3.762 0 40 GHAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCCN1C1CCCC1 84398250 AEQVCWSTRWZHTL-OAQYLSRUSA-N 389.971 3.828 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H](CN(C)C)C1 89553041 RIXOSFIREIWZID-CHWSQXEVSA-N 391.865 3.959 0 40 GHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@@H](c1c(F)cccc1F)N(C)C 95436634 RTKOTRFIRWVHFV-QGZVFWFLSA-N 384.373 3.828 0 40 GHAB CCn1c(CN2CCCN(Cc3ccc(OC)cc3)CC2)nc2ccccc21 95453787 IIGHFNNUAKUUMC-UHFFFAOYSA-N 378.520 3.773 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)N2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1 95463291 FDHDLYNREWQIOR-HNNXBMFYSA-N 392.565 3.671 0 40 GHAB Cc1nc(CSc2ccc(C(=O)N(CCC(=O)O)C3CC3)cc2)cs1 95969856 ZOZPKURBSWELCN-UHFFFAOYSA-N 376.503 3.823 0 40 GHAB CCOc1ccccc1NC(=O)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 96025562 RDONWOBXFNVGQN-MRXNPFEDSA-N 388.489 3.556 0 40 GHAB CCOc1ccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(C)=O)c(=O)[nH]c2c1 96096345 IIKMJQGXSQZJHI-QFIPXVFZSA-N 389.455 3.933 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@]12CCN(C(=O)c1ccc(Cl)cc1)C2 96227758 HHAPLPXZPHHFLM-KKSFZXQISA-N 398.846 3.560 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21 96241947 XSFYTCKKYNJWLK-LJQANCHMSA-N 391.515 3.658 0 40 GHAB CCOCCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(C)ccc21 100873263 VQWUDDFZAAQHCY-DQRAZIAOSA-N 382.485 3.991 0 40 GHAB CSc1n[nH]c(N2[C@H](O)C(O)=C(c3ccccc3)[C@H]2c2ccc(C)cc2)n1 101353766 UIHODZHMOFGMHW-SJLPKXTDSA-N 380.473 3.684 0 40 GHAB CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccc(-c2ccc(F)c(Cl)c2)o1 101715742 YDYDNJWFMZQLHO-SNVBAGLBSA-N 375.783 3.932 0 40 GHAB O=C(NCCc1ccccc1)[C@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 199407429 HHHCYMSCKIHLLQ-XMMPIXPASA-N 386.495 3.678 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222671951 BEZYDYUYZOUUEA-SFHVURJKSA-N 382.504 3.706 0 40 GHAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 222908779 WONLZGWCKMMDFA-PMACEKPBSA-N 377.517 3.896 0 40 GHAB CCCC(=O)N(Cc1cccc(OC)c1)[C@H](Cc1ccccc1)C(=O)NCC 223776996 PUBQJMOTJDJQTH-OAQYLSRUSA-N 382.504 3.571 0 40 GHAB C[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O 223896232 WSPFIRPGKGOTHQ-CYBMUJFWSA-N 388.961 3.826 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 224401253 DHFVRZZYQSTZLE-QGZVFWFLSA-N 386.517 3.724 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1F 224554662 QLEGHLQHVYARBH-OAQYLSRUSA-N 384.495 3.948 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 224632425 STKRBXVPKLLZRI-SFHVURJKSA-N 384.545 3.863 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)COc1ccccc1 224672219 IOTGZRAWPFSZEH-QGZVFWFLSA-N 398.478 3.681 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 225388961 IVCKPQNRVQFAHE-JOCHJYFZSA-N 396.531 3.880 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1 225453170 XRKSHSKNODVUBP-MRXNPFEDSA-N 388.895 3.661 0 40 GHAB COc1ccc(C2(C(=O)N3CCC[C@@H](Cc4ccccn4)C3)CCOCC2)cc1 257283342 OXWKOJZEHJJUNI-IBGZPJMESA-N 394.515 3.620 0 40 GHAB Fc1ccc(CN2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cc1 306131229 JYWSTFLTRXLEDJ-NRFANRHFSA-N 389.434 3.504 0 40 GHAB Cc1cccc(C(=O)N2CC[C@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)c1 306131519 KHLCCCVRIWICCR-QHCPKHFHSA-N 391.446 3.813 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C(=O)N1CCCC1 408596217 RSKAZRAMBBASAJ-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(/Sc1nc2ccccc2[nH]1)C(=O)O 408631712 AYFSFRKJWDXQAJ-MPMPPSQCSA-N 392.440 3.662 0 40 GHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(O)c3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409098683 JHYCOBQUJZSHJX-DFHBCGBQSA-N 384.398 3.917 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1 409195618 RDNVCDPLDWUVLT-MHWRWJLKSA-N 386.835 3.840 0 40 GHAB CCOc1cc(/C=C2\N=C(c3cccc(OC)c3)OC2=O)ccc1OC(=O)CC 409196792 YZBGHVBAVOJNSI-BOPFTXTBSA-N 395.411 3.754 0 40 GHAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)NCCc2ccc(-n3cccn3)cc2)C1 517702561 FYWXMBDKMCNZQY-LJQANCHMSA-N 397.567 3.615 0 40 GHAB Cc1ccc2sc(CN3C[C@H](C[C@@H]4COCC(=O)N4)c4ccccc43)nc2c1 528507049 VQSGOUZLYPAPPJ-JKSUJKDBSA-N 393.512 3.614 0 40 GHAB O=C(c1cc2c(s1)CCC2)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575405692 UCUJMCBRRVYODM-MRXNPFEDSA-N 386.542 3.549 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](Oc2ncc(F)cn2)C1 575612223 JMKLMDOSOHMSOV-AWEZNQCLSA-N 384.333 3.710 0 40 GHAB Cc1noc([C@@H]2CCCN(Cc3c(C(=O)O)sc4cccc(F)c34)C2)n1 577957886 LLXGQMOWEOHWLI-LLVKDONJSA-N 375.425 3.810 0 40 GHAB O=C(O)c1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c(Br)c1 580330248 CZGJMOKQIKMSAS-DOTOQJQBSA-N 382.298 3.520 0 40 GHAB O=C(O)[C@H](c1ccsc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 582731019 ZFWJNKJSZJLZGN-BBRMVZONSA-N 387.436 3.943 0 40 GHAB O=C(c1ccccc1)N1CCC2(CC1)CN(C(=O)N1CCCC1)c1ccccc12 585103077 CGMMSROHKMRXKL-UHFFFAOYSA-N 389.499 3.896 0 40 GHAB Cc1nc(-c2cc(NC(=O)c3c(C4CC4)cnn3C)cc(C(F)(F)F)c2)n[nH]1 585110734 LKSOCRMNKKMGOP-UHFFFAOYSA-N 390.369 3.662 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(N2C(=O)CSC2=O)CC1 585327371 OHCKSCXSBJOGCC-UHFFFAOYSA-N 388.276 3.685 0 40 GHAB Cc1cccc(C)c1[C@H]1CCCN1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 664185903 NZSZGZKWYIMFSI-QZTJIDSGSA-N 381.524 3.880 0 40 GHAB O=c1ccc(-c2ccccc2)nn1C1CCN(c2cnc3ccccc3n2)CC1 1775970244 JANNVBXNDZWYJC-UHFFFAOYSA-N 383.455 3.695 0 40 GHAB COc1ccc2nc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)ccc2c1 1889139169 URXBISVYSIIDMG-UHFFFAOYSA-N 389.446 3.718 0 40 GHAB CC[C@@H](c1nnc(S)n1-c1cnn(Cc2ccccc2)c1)n1cc(Cl)cn1 2808614 ZQZVFWXVRMBHGK-INIZCTEOSA-N 399.911 3.650 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccc1Br 862982 RCYVDJHTYKWOAH-UHFFFAOYSA-N 391.250 3.625 0 40 GHAB O=C(Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1)c1cccnc1 1363082 UXPPPPJVCIUSDN-UHFFFAOYSA-N 396.450 3.970 0 40 GHAB Cc1cccc2cc(CN(Cc3ccco3)C(=O)c3ccco3)c3nnnn3c12 1376813 IBGWVZCECBORST-UHFFFAOYSA-N 387.399 3.615 0 40 GHAB CCCCc1nnc(NC(=O)[C@@H](C)NC(=O)Cc2cccc3ccccc23)s1 23359531 JEVFGRVPEQYMDL-CQSZACIVSA-N 396.516 3.720 0 40 GHAB CCCNC(=O)c1cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2oc1=O 1810896 ORXBZEJQSFPBNC-UHFFFAOYSA-N 385.803 3.805 0 40 GHAB CCC[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C(N)=O)C1 4174381 AJOWESKTXGCGOZ-AVGNSLFASA-N 392.521 3.582 0 40 GHAB COCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2ccccc2C)s1 4982445 XDJKBPPYGXDPLM-UHFFFAOYSA-N 383.473 3.815 0 40 GHAB CCCNc1c(NC(=O)c2cc(OC)cc(OC)c2)c(=O)oc2ccccc12 6917531 MBYYVIFRRDHKKT-UHFFFAOYSA-N 382.416 3.884 0 40 GHAB CN(CCCNC(=O)c1cccc(I)c1)c1ccccc1 7689967 CSHVQZFEAIXTOZ-UHFFFAOYSA-N 394.256 3.548 0 40 GHAB O=C(O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 7928384 KQGPQYZOEKEZJR-NSHDSACASA-N 393.226 3.683 0 40 GHAB CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cn2)[C@@H]1c1ccc(OC)cc1 24840629 ITXMEMBJJOFTPS-NQIIRXRSSA-N 381.476 3.727 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N3C[C@@H](C)C[C@H](C)C3)o2)cc1 10045046 NYXVRPUQOLNKCG-IRXDYDNUSA-N 384.476 3.630 0 40 GHAB C[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2nc3ccccc3n2C(F)F)C1=O 12544538 IMJQUDFHBLQIDM-LJQANCHMSA-N 388.349 3.538 0 40 GHAB CC(C)C[C@H](C(=O)N1CCCc2ccccc21)N1C(=O)c2ccccc2C1=O 3279404 TXNPCVBYRWYBCV-HXUWFJFHSA-N 376.456 3.677 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 100750072 CIJKRHRYJALARW-YYDVJCTNSA-N 397.494 3.563 0 40 GHAB S=C(NCCc1ccccc1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423246 VDNMALJFIDGEGE-VXKWHMMOSA-N 379.573 3.889 0 40 GHAB O=C(Cc1csc(N2CCNC2=O)n1)Oc1ccc(Cl)c2ccccc12 44269280 WXHIZJIXVAIRLD-UHFFFAOYSA-N 387.848 3.627 0 40 GHAB O=C1c2ccccc2N[C@H](c2cccc(Cl)c2)N1CCCN1CCOCC1 12608797 ABXICPPDDJEODU-FQEVSTJZSA-N 385.895 3.629 0 40 GHAB CC(C)(C)c1ccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1 9686006 PNOOFJUISUPWQJ-UHFFFAOYSA-N 383.473 3.683 0 40 GHAB Cc1ccc([C@@H](CNC(=O)COc2ccc(C(C)C)cc2)N2CCOCC2)cc1 27581422 FTKWVVNLWNNBHS-HSZRJFAPSA-N 396.531 3.687 0 40 GHAB CCOc1ccc2nc(NC(=O)[C@H](C)NC(=O)/C=C/c3ccccc3)sc2c1 12740802 FDLQYGBUTFUKCH-TZIYXEQSSA-N 395.484 3.852 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 20483084 DYFBZPZEUVYVLD-RDTXWAMCSA-N 394.924 3.762 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc21 53698198 YGSIBLHLRVIUML-OAHLLOKOSA-N 398.528 3.514 0 40 GHAB Cc1ccc(S(=O)(=O)c2c(N)c(C(=O)c3ccccc3)n3ccccc23)cc1 28047506 YOZHPWPUDGVSNT-UHFFFAOYSA-N 390.464 3.894 0 40 GHAB C[C@H]1Oc2ccccc2N(CCC(=O)NC2(c3ccc(F)cc3)CCC2)C1=O 58416639 NQXDYWPPCAFIOZ-OAHLLOKOSA-N 382.435 3.525 0 40 GHAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)OCCO2 24994818 HOMSXOSYRQHYSL-UHFFFAOYSA-N 383.288 3.703 0 40 GHAB C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc(Cl)cc1Cl 3336467 PSIDFWWPNVQTQP-NSHDSACASA-N 376.243 3.581 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCc2sccc2C1)c1ccccc1 10885681 YBLKXJPDTKICSW-FQEVSTJZSA-N 390.508 3.674 0 40 GHAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)oc2ccccc12 3354723 GAQRIETWFCPYND-UHFFFAOYSA-N 384.457 3.778 0 40 GHAB O=C(Oc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1cccs1 100395078 XHGZYNLGRJNQFF-DQBAKGKISA-N 391.448 3.525 0 40 GHAB CCNC(=O)c1cccc(NC(=O)CN[C@@H](c2ccc(C)cc2)C(F)(F)F)c1 48310721 GBZPALJLHLYDNC-SFHVURJKSA-N 393.409 3.576 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3nnc(-c4ccco4)s3)C2)cc1 48332362 PGOBKKNBSPUOID-OAHLLOKOSA-N 396.472 3.597 0 40 GHAB CC(C)CCn1c(N)c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc21 2435286 DFJPGXRYMDUTBY-CQSZACIVSA-N 382.464 3.549 0 40 GHAB COc1ccccc1O[C@H](C)C(=O)NCCc1csc(-c2ccccc2)n1 27993924 WLKGDDLQWLMCSC-OAHLLOKOSA-N 382.485 3.945 0 40 GHAB O=C(CCC(=O)N1CCOCC1)Nc1ccc(Oc2ccccc2Cl)cc1 11514116 LWPHUWVIOQNEJT-UHFFFAOYSA-N 388.851 3.710 0 40 GHAB CN(C)C1(CNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCCCC1 12886931 RRFLZDLJJGBJMG-UHFFFAOYSA-N 389.540 3.957 0 40 GHAB OCCN1CCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)CC1 12861646 GKUSJWBNICMFTC-UHFFFAOYSA-N 390.512 3.626 0 40 GHAB Cc1ccc([C@@H]2CC(=O)c3cnc4nc(N5CCCCC5)[nH]c(=O)c4c3C2)cc1 22606977 CMHAWPBLTHJEGE-INIZCTEOSA-N 388.471 3.530 0 40 GHAB O=C(COc1ccc(-n2cnnn2)cc1)N(C1CCCCC1)C1CCCCC1 22740498 MWWQRPJHFLZSDL-UHFFFAOYSA-N 383.496 3.535 0 40 GHAB Cc1cc(C)c2nc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)sc2c1 2627417 FVMPRGSOVKRSHT-UHFFFAOYSA-N 390.468 3.770 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12284525 QCOKDFHRSWSQOQ-RXVVDRJESA-N 393.531 3.777 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)c1 24357738 IELZDMHWWMXISF-UHFFFAOYSA-N 397.475 3.817 0 40 GHAB O=C(CC(=O)Nc1ccc(OC(F)F)cc1)Nc1ccc(OC(F)F)cc1 3885170 WVEQQAJGAYMMGV-UHFFFAOYSA-N 386.301 3.857 0 40 GHAB CC(C)CN(Cc1cc2ccccc2[nH]c1=O)S(=O)(=O)c1ccc(F)cc1 13571582 MXAVFRPXIKGPDX-UHFFFAOYSA-N 388.464 3.514 0 40 GHAB CSc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(Cl)cc3)n2)cc1 49549222 GPNLMXIEYWDRQV-UHFFFAOYSA-N 399.903 3.602 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1 22236492 ZSYUTGLUXWMBSM-UHFFFAOYSA-N 396.418 3.887 0 40 GHAB COc1cccc(NC(=O)CSc2nnnn2-c2ccc3ccccc3c2)c1 5015311 XQSNXQAWLJQQFE-UHFFFAOYSA-N 391.456 3.555 0 40 GHAB Cn1ccnc1[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 9219637 MOSPOVBPQYGSQB-IBGZPJMESA-N 381.443 3.751 0 40 GHAB COc1cc(CC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 9255928 HGAZFBFJZFDQNO-UHFFFAOYSA-N 397.393 3.932 0 40 GHAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)Nc1cc2c(cc1Cl)OCCCO2 65359836 GJVVPKVJMDRQPN-JTQLQIEISA-N 378.860 3.734 0 40 GHAB COC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 5280020 VYFCMYGXVTVDIB-NSHDSACASA-N 375.400 3.866 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cn1N 4406070 YYVGRQBJNVNNTB-DLBZAZTESA-N 394.544 3.882 0 40 GHAB CC[C@H](c1nnc(SCC(=O)c2ccc[nH]2)n1Cc1ccccc1)N(C)C 4494493 ILHGLTBKGSUTAL-QGZVFWFLSA-N 383.521 3.642 0 40 GHAB C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1cc(F)c(Cl)cc1Cl 14183246 XFDQWLPIUCXBBX-VIFPVBQESA-N 394.233 3.789 0 40 GHAB Cc1ccc2nc(-c3ccc(NC(=O)CSc4n[nH]c(N)n4)cc3)sc2c1 6411786 QRRJJMOYDLNBHX-UHFFFAOYSA-N 396.501 3.703 0 40 GHAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NCC1CCCCC1 6473430 CPTGFZGCLQHPRX-UHFFFAOYSA-N 378.472 3.913 0 40 GHAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cccc(OC)c4)c3)nn12 4556480 SLZBTVHKLGKMRN-UHFFFAOYSA-N 393.472 3.985 0 40 GHAB O=C1c2ccccc2CC[C@H]1[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 4555338 HRVQZWXYHZCCKB-PXDATVDWSA-N 383.447 3.866 0 40 GHAB Cc1ccccc1NC(=S)NC(=O)c1cccc(I)c1 4682371 XRRGDWHHVBMTCW-UHFFFAOYSA-N 396.253 3.726 0 40 GHAB Cc1ccc(NC(=O)Cn2c(C)nc3scc(-c4cccs4)c3c2=O)nc1 6653440 XZBKNGCRMYUDNX-UHFFFAOYSA-N 396.497 3.837 0 40 GHAB O=C(COc1ccccc1C(=O)N1CCCCC1)NCc1ccc(Cl)cc1 9499733 WKGMQOIKIXFKEQ-UHFFFAOYSA-N 386.879 3.661 0 40 GHAB COc1cccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccco3)C(=O)O2)c1 409191325 VPKKTVMSLQBZIV-LGMDPLHJSA-N 389.363 3.852 0 40 GHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 7306435 MSOSDKBZGBXBNJ-JTQLQIEISA-N 386.757 3.939 0 40 GHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O 409095613 IAIZZPDSSBWHAX-SWEABUAFSA-N 384.457 3.692 0 40 GHAB O=C([C@@H]1CN(C(=O)c2ccc(Cl)s2)c2ccccc2O1)N1CCCCC1 7825346 KUAAYOFYBGAXLM-HNNXBMFYSA-N 390.892 3.822 0 40 GHAB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)N[C@H]1CCCc2ccccc21 7920507 VRYWJFKANQMSNI-KRWDZBQOSA-N 376.378 3.629 0 40 GHAB COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccccc2F)N2CCCC2)cc1 28232039 WEQRAIKPUZZDQQ-UZLBHIALSA-N 386.467 3.555 0 40 GHAB O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccc2c(c1)CCC2 8703854 CFGPDKMRPBJHGS-DEOSSOPVSA-N 388.467 3.532 0 40 GHAB CC(C)(C)c1cc(NC(=O)CSc2nnc(NCc3ccco3)s2)on1 9861746 NXIRUWOQKGBMAB-UHFFFAOYSA-N 393.494 3.760 0 40 GHAB CCSc1nnc(NC(=O)c2csc(Nc3nc(C)cc(C)n3)n2)s1 56907638 JDAUFSWTPZWMPQ-UHFFFAOYSA-N 393.523 3.509 0 40 GHAB COc1ccc(-c2cc(N(C)C(=O)C[C@@H]3OCCc4ccsc43)n[nH]2)cc1 95400205 GYHLUNYNJDUURS-KRWDZBQOSA-N 383.473 3.814 0 40 GHAB CC(C)c1nc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)n(C)n1 95957412 PTOUWCFSSURXKT-UHFFFAOYSA-N 387.534 3.832 0 40 GHAB CCOc1ccccc1-c1nc(SCc2nc(O)c3ccccc3n2)n[nH]1 408583368 UBRSNQUUTBDMSY-UHFFFAOYSA-N 379.445 3.812 0 40 GHAB CCc1cc(=O)oc2cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c(Cl)cc12 5909802 KDCNMAPQODSKGT-SNVBAGLBSA-N 395.839 3.827 0 40 GHAB biogenic COC(=O)c1ccc(/C=C2\SC(=O)N(CNc3ccccc3OC)C2=O)cc1 33764806 YUHSHBXCKLKBAW-BOPFTXTBSA-N 398.440 3.588 0 40 GHAB O=C(NCCCN1CCc2ccccc21)C1CCN(Cc2ccccc2F)CC1 39762219 QOIZMOLIGAIXKM-UHFFFAOYSA-N 395.522 3.607 0 40 GHAB O=C(c1ccccc1F)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 72334943 UGSIFFSWMWLWOG-CQSZACIVSA-N 383.448 3.588 0 40 GHAB CC(C)CC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2F)(C(N)=O)C1 72391085 LILOWVRLGBZYOZ-QHCPKHFHSA-N 382.479 3.785 0 40 GHAB Cc1ccccc1SCC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 36394769 VZOITIGHXMXACY-UHFFFAOYSA-N 386.492 3.647 0 40 GHAB CC(=O)Nc1cc(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1F 40051290 UZKCDCKZGZEHAK-UHFFFAOYSA-N 385.317 3.733 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1cc(Cl)cc(Cl)c1 44791425 RFSQQOMMQBNKHQ-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)cc1 225410616 AXSFOMASTQAECG-OALUTQOASA-N 396.531 3.878 0 40 GHAB CSc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)cc2C)cc1 224983683 ILNGYWRKNIZXFB-UHFFFAOYSA-N 385.894 3.650 0 40 GHAB CCn1c(Cl)nc2cc(C(=O)NCCC(=O)Nc3ccccc3F)ccc21 222550732 UOYUPHKRJQSJIV-UHFFFAOYSA-N 388.830 3.607 0 40 GHAB CCOC(=O)c1cc(N(C)S(=O)(=O)c2ccc(OC)c(C)c2)ccc1Cl 224658970 FMBBLKVWLADCGG-UHFFFAOYSA-N 397.880 3.659 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224733010 HYMHIVGBMAKNNS-UHFFFAOYSA-N 396.531 3.512 0 40 GHAB COc1ccc(CN2CC[C@H](c3nnc(-c4ccc(N(C)C)cc4)o3)C2)cc1 49170177 HZMIRBIRFGOUPU-SFHVURJKSA-N 378.476 3.801 0 40 GHAB biogenic,in-vitro CCOC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 223001005 NYKBSSKKYLZKSX-GFCCVEGCSA-N 382.869 3.948 0 40 GHAB COc1ccc(NC(=O)CN2Cc3cccn3-c3ccc(Cl)cc3C2=O)cc1 225378956 HUIFYGQZYPKOBP-UHFFFAOYSA-N 395.846 3.734 0 40 GHAB COc1ccc(CNC(=S)Nc2nc(OC)cc(Oc3ccccc3)n2)cc1 225930113 IKUUTPUEOFWOBZ-UHFFFAOYSA-N 396.472 3.773 0 40 GHAB CC[C@@H](C(=O)NC(C(C)C)C(C)C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220565138 FEVVMMKWUYGNFC-SFHVURJKSA-N 382.570 3.645 0 40 GHAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1nc(-c2ccccc2)no1 223654066 SITGWTWOMNTQHM-UHFFFAOYSA-N 398.271 3.663 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1ccncc1 222727201 NUKHCDKXXFIZAB-WOJBJXKFSA-N 377.517 3.546 0 40 GHAB COc1ccc(CCC(=O)Nc2ccc3ncn(CC(C)C)c(=O)c3c2)cc1 95473713 XBCNWIZPOKULBJ-UHFFFAOYSA-N 379.460 3.632 0 40 GHAB COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c(O)n[nH]c1Cc1ccccc1 96117293 JBGUXSGAOLXMHI-AWEZNQCLSA-N 386.835 3.760 0 40 GHAB O=C1N/C(=C/c2ccc(O)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 96624551 ZDEOUBNLGGOMKI-MDWZMJQESA-N 393.624 3.905 0 40 GHAB CCc1cc(NC(=O)c2c(C)nn(C)c2OC[C@H]2CCCCO2)ccc1F 585082278 WKAMVZCUUARNFO-MRXNPFEDSA-N 375.444 3.630 0 40 GHAB CN(Cc1cccnc1)C[C@@H]1CCCN(C(=O)Cc2ccc(Cl)s2)C1 585080050 UXBRYDRMIAQAJH-INIZCTEOSA-N 377.941 3.710 0 40 GHAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cccnn1)[C@H]2Cc1ccccc1 257279648 OHPBAUNRSAZHIX-CHSSDKTLSA-N 390.531 3.565 0 40 GHAB CC(=O)N1CCC[C@@H]2N(C(=O)c3ccnc(-c4scnc4C)c3)CCC[C@@]21C 257345040 ZZRYKRBFFXEMCH-RXVVDRJESA-N 398.532 3.519 0 40 GHAB CO[C@H](C(=O)Nc1ccnc2c(Cl)cc(Br)cc12)[C@@H]1CCOC1 622854786 VICIIEIWYDWQGG-PSLIRLAXSA-N 399.672 3.641 0 40 GHAB Cc1cc(Br)c2ccccc2c1NC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 626442589 NFPAHYPZQFUJMY-TXEJJXNPSA-N 390.281 3.638 0 40 GHAB O=C(/C=C/c1nccs1)O[C@@H]1CCCC[C@H]1OC(=O)/C=C/c1nccs1 1122970772 FGVLJUMXALZJIX-FOXZPDPLSA-N 390.486 3.724 0 40 GHAB Cc1ccc(NC(=O)C2(CNC3CCN([C@@H]4CCOC4)CC3)CCCC2)cc1C 655720976 KLKAEJNMYQNRLN-JOCHJYFZSA-N 399.579 3.645 0 40 GHAB CCCc1ccc(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)cc1 585111171 HNWPJAUVGFSRAT-JOCHJYFZSA-N 389.499 3.928 0 40 GHAB CCc1nccn1-c1cncc([C@H]2CCCN(Cc3ccc(OC)cc3)C2)n1 72355486 YZDNCOJTTLNXGC-SFHVURJKSA-N 377.492 3.613 0 40 GHAB C[S@@](=O)Cc1cccc(C(=O)Oc2ccccc2OCc2cscn2)c1 97164817 BAWRRAYJPHGVPI-SANMLTNESA-N 387.482 3.820 0 40 GHAB Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@@H]3C(=O)CCCC[C@H]32)cc1 1547139809 KCTOZJBUOMNNBJ-VWPQPMDRSA-N 383.513 3.911 0 40 GHAB COCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1 5045858 SIBIWFKIBFKVDA-UHFFFAOYSA-N 396.516 3.939 0 40 GHAB Cc1nn(CC(=O)N2CCC(c3onc4c3C[C@H](C)CC4)CC2)c(C)c1Cl 12119922 APDGUCTYBKVOJH-GFCCVEGCSA-N 390.915 3.672 0 40 GHAB Cc1cc(-c2cnc(NC[C@H]3COc4ccccc4O3)nc2-c2ccco2)on1 12184379 WQNDDXAKCUZZNR-AWEZNQCLSA-N 390.399 3.952 0 40 GHAB CCc1ncc(CN2CCC(c3nnsc3-c3onc(C)c3CC)CC2)cn1 12224194 BLGFYZBZWXKOQD-UHFFFAOYSA-N 398.536 3.796 0 40 GHAB O=C(CCC1CCCC1)N1CCC(c2nc(O)cc(-c3cccnc3)n2)CC1 12234386 MJVFNDAHIDFRHW-UHFFFAOYSA-N 380.492 3.921 0 40 GHAB CC(=O)c1ccc(Cl)cc1CN1CC[C@H](c2cc3nc(C)cc(O)n3n2)C1 12259122 BGAWASCYYODQBU-AWEZNQCLSA-N 384.867 3.589 0 40 GHAB CC(=O)Oc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 13483813 MVLZMLBIJGGIOU-UHFFFAOYSA-N 379.416 3.713 0 40 GHAB Cc1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 13674107 YRPNHAJBZFNTJX-UHFFFAOYSA-N 394.496 3.853 0 40 GHAB CCc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 13684441 NOQROKSIGVPRRE-UHFFFAOYSA-N 378.428 3.790 0 40 GHAB CCc1ccc(NC(=O)[C@@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 13715296 LIZDWRIGDHCJJX-GOSISDBHSA-N 378.469 3.571 0 40 GHAB COCCn1c(C)cc2cc(NC(=O)[C@@H](C)Oc3ccc4c(c3)OCO4)ccc21 19126247 YIUIARYBXHZRKM-OAHLLOKOSA-N 396.443 3.731 0 40 GHAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1nc2cc(Cl)ccc2n1C 19663213 UACVUEXKLLKJHO-UHFFFAOYSA-N 381.823 3.549 0 40 GHAB Cc1cc(N2CCC(c3ccc(-c4cccc(C(N)=O)c4)cn3)CC2)nc(C)n1 19689084 DPMLFOLFMMHTMF-UHFFFAOYSA-N 387.487 3.638 0 40 GHAB Cc1cc(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3C)c2c(C)noc2n1 19715826 AUWDYLXYGLPOHV-UHFFFAOYSA-N 389.337 3.997 0 40 GHAB CCOC(=O)N[C@H]([C@@H]1C(=O)N(c2ccccc2)N=C1C)C(Cl)(Cl)Cl 4280920 IAOAPDJOHWRFIF-VXGBXAGGSA-N 392.670 3.510 0 40 GHAB Cc1cccc(OCC(=O)Nc2cc(Cl)c3nc(NN)sc3c2)c1C 226313092 XHQANCPBMNJPDT-UHFFFAOYSA-N 376.869 3.870 0 40 GHAB Cc1nc2cc([C@@H]3CCN(CC(C)(C)CN4CCC(C)CC4)C3)nn2c(O)c1C 12745590 IZIJZNHQZXJESS-LJQANCHMSA-N 399.583 3.599 0 40 GHAB O=C(NCC1(c2ccc(F)cc2Cl)CC1)N1CCC[C@H](c2ncc[nH]2)C1 677996246 MXHXMXAUJRAJCI-ZDUSSCGKSA-N 376.863 3.823 0 40 GHAB CC(C)Sc1ccc(CC(=O)NC[C@@H](O)c2ccc(-n3cccn3)cc2)cc1 1888962459 OQMPJIQUWFNHLO-OAQYLSRUSA-N 395.528 3.765 0 40 GHAB COc1ccc(Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1OC 23624894 NNVHYSCTVTUZGW-UHFFFAOYSA-N 389.498 3.822 0 40 GHAB O=S(=O)(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccccc1 4305589 JHBXWFKAQZVBIU-IBGZPJMESA-N 384.526 3.830 0 40 GHAB CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2ccccc2Cl)s1 4328757 JCNQLGDLTXEMBP-UHFFFAOYSA-N 398.941 3.585 0 40 GHAB O=C(CSc1nccn(-c2ccc(F)c(Cl)c2)c1=O)Nc1ccccc1 4853001 MBJHPBOADIWCNI-UHFFFAOYSA-N 389.839 3.756 0 40 GHAB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1c(F)cccc1F 4939899 ASAOQPZMXFAXCS-UHFFFAOYSA-N 396.397 3.511 0 40 GHAB COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)c(OC)cc1Cl 35592614 NAAZBCIBFBTRMC-UHFFFAOYSA-N 378.233 3.517 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2nc(N3CCCCC3)ncc2Cl)cc1 40140175 IYKJSHCHNZTTRM-UHFFFAOYSA-N 388.855 3.549 0 40 GHAB COc1ccccc1NC(=O)CCn1cnc2c(Cl)cc(Cl)cc2c1=O 32870806 XDSVYXFRKXKFRL-UHFFFAOYSA-N 392.242 3.741 0 40 GHAB CC(=O)c1ccccc1OCCOC(=O)c1cc(C2CC2)nc2onc(C)c12 32869363 DBXXIGXYTDJELQ-UHFFFAOYSA-N 380.400 3.847 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1cccc(CN3CCCC3=O)c1)O[C@@H](C)C2 21837618 GBOHHGGFUGXGJP-HNNXBMFYSA-N 394.471 3.783 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)NC[C@H](c3ccco3)N(C)C)o2)cc1C 22381611 VDLRVZDVWHUVNF-GOSISDBHSA-N 381.476 3.903 0 40 GHAB CC[C@H](C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 938357 MYBCUHUIWKAMIT-STQMWFEESA-N 376.522 3.951 0 40 GHAB Cc1ccccc1-n1cccc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 1005992 LOLUZUWEVCFLGQ-GZTJUZNOSA-N 384.457 3.774 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1C 1328601 UBLYZRLPGLJEQS-UHFFFAOYSA-N 395.532 3.907 0 40 GHAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1cccs1 2229326 ONZQXOGUZSQSHH-UHFFFAOYSA-N 393.497 3.917 0 40 GHAB COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)c1 2646105 XOMSKPLWUXDCIK-SFHVURJKSA-N 398.440 3.606 0 40 GHAB C/C=C/c1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c(OC)c1 3354641 BOVULBSNWMEPGK-AATRIKPKSA-N 382.460 3.513 0 40 GHAB CCOc1ccc(N2C(=S)N[C@H]3C[C@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 4372258 RIGXCOUCFPVWMD-UWJYYQICSA-N 398.484 3.806 0 40 GHAB Cc1ccccc1-n1ncc2c(=O)n(Cc3ccc(Br)cc3)cnc21 4479082 XXXLVTLIVNYBBP-UHFFFAOYSA-N 395.260 3.701 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(OC)c3)n2C)cc1 4736341 ZYTVUTVJRSZFAA-CYBMUJFWSA-N 398.488 3.619 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)o1)Nc1cccc(Br)c1 5213970 BSXPHZMPWFVREZ-UHFFFAOYSA-N 391.250 3.625 0 40 GHAB COc1cccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCN(C)CC2)c1 5478737 SDNOZWRWWKTFTQ-NRFANRHFSA-N 377.488 3.969 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cccc(C(F)(F)F)c1 6219988 SVZDCGWHSOGNMD-UHFFFAOYSA-N 397.349 3.690 0 40 GHAB CC(C)c1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 6545781 QZSZYCWMJWLLLX-QHCPKHFHSA-N 376.456 3.776 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)c2ccc(CNC(=O)NC(C)C)cc2)cc1C 6606524 ZLRGCJHWRFKVHE-UHFFFAOYSA-N 396.487 3.859 0 40 GHAB CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(F)cc3)N2C1=S 6654826 MQPJOMOPKZBFFW-MJGOQNOKSA-N 379.460 3.770 0 40 GHAB biogenic CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cccc(C)c1)S2 6811874 WTLXBHKSQBMABK-MOPGFXCFSA-N 393.516 3.855 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cccnc2Nc2ccccc2F)C1 6862184 LGBDBABNNRCVCF-GJZGRUSLSA-N 385.439 3.626 0 40 GHAB Cc1ccc(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 6917048 CRELGCCABQUXOP-OAHLLOKOSA-N 392.546 3.673 0 40 GHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)CC2(CCCCC2)C1=O 7046981 SQMUWLGQAUEOFF-AWEZNQCLSA-N 399.516 3.525 0 40 GHAB CCN1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 7109468 IISPDMAYPCPEAD-UHFFFAOYSA-N 399.560 3.508 0 40 GHAB COc1ccccc1N1CCN(C(=O)COc2ccccc2C(C)(C)C)CC1 7495646 BSHLCOXIECPAHS-UHFFFAOYSA-N 382.504 3.720 0 40 GHAB CCNC(=O)[C@H](C)NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 7645147 STQAJXUOZJDWDK-LIRRHRJNSA-N 390.936 3.803 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 7964765 YRHRBWXGEDPFOQ-APWZRJJASA-N 379.460 3.571 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ncnc3sccc23)cc1 7980453 VYCFZXZDTFETQC-CYBMUJFWSA-N 390.534 3.895 0 40 GHAB CC(=O)N[C@@H]1C(=O)N(CCOc2ccccc2Cl)c2ccc(Cl)cc21 8048021 YYRRWDUQLOHEEN-KRWDZBQOSA-N 379.243 3.596 0 40 GHAB Cc1cc(/C=C/C(=O)N(C)Cc2ccccc2N2CCOCC2)c(C)n1C1CC1 8193392 VBNXGOXXPJGTBJ-DHZHZOJOSA-N 393.531 3.948 0 40 GHAB CCCn1nnnc1CSc1nc(-c2ccccc2)c2c(C)cc(C)nn12 8216396 RAOOXPAPWHTQIF-UHFFFAOYSA-N 379.493 3.702 0 40 GHAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(COc2ccccc2)o1 9186347 AMNNFEKUSFFXQR-UHFFFAOYSA-N 388.423 3.972 0 40 GHAB Cc1ccc(NC(=O)c2sc3nc(CN4CCCC4)[nH]c(=O)c3c2C)c(C)c1 9576258 JCHHDRNDDNPSML-UHFFFAOYSA-N 396.516 3.758 0 40 GHAB COc1cccc([C@@]2(C)NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1 9584427 LOEWVQOOCBZOBV-GOSISDBHSA-N 379.243 3.969 0 40 GHAB CCn1c(=O)c2cc(Br)ccc2n(Cc2ccc(Cl)cc2)c1=O 9935437 PSVINZXXSSIEKY-UHFFFAOYSA-N 393.668 3.647 0 40 GHAB COc1cc([C@H]2CC(=O)c3cnn(-c4ccccc4F)c3C2)cc(OC)c1OC 10156807 RCYRYZSHIFTYOA-CYBMUJFWSA-N 396.418 3.950 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCCCC[C@H]1c1nn(C)cc1Cl 12120215 HOGVUMJYMSNZBA-AWEZNQCLSA-N 377.872 3.848 0 40 GHAB Cc1ccc(C(=O)N2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)s1 12186831 XGUCZUHMXVWSGV-UHFFFAOYSA-N 398.937 3.528 0 40 GHAB C[C@H](Sc1ccc2c(c1)CCC2)C(=O)c1ccc(NS(C)(=O)=O)cc1 12560587 WBQAYKDJGKNKPX-ZDUSSCGKSA-N 375.515 3.910 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cn2ccccc2n1 12825283 AJHUSWJKPYZPBM-UHFFFAOYSA-N 379.338 3.631 0 40 GHAB C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(-n2cncn2)cc1 12899550 SRJFVNPYNIHKQC-GFCCVEGCSA-N 391.258 3.830 0 40 GHAB Cc1cc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)n(Cc2ccccc2)n1 12944507 HCHLWNRVUQMZDA-UHFFFAOYSA-N 390.422 3.520 0 40 GHAB Cc1cccc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1C 13058896 CRRMPMOKZTXFIK-UHFFFAOYSA-N 398.450 3.833 0 40 GHAB CCOc1ccc(-c2cc(C(=O)N3CCN(C4CCCCC4)CC3)n[nH]2)cc1 15679384 QCGFDGDUIYMTMQ-UHFFFAOYSA-N 382.508 3.566 0 40 GHAB CCCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 17081488 OGXJHGMDSCFFRL-SFHVURJKSA-N 398.484 3.858 0 40 GHAB CCC(=O)N1CC[C@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)N(C)C)C1 19498435 HTGMZWJQTOMNCK-HSZRJFAPSA-N 382.479 3.752 0 40 GHAB COc1cccc(CN2CCCC[C@@H]2c2cc(O)nc(-c3ccncc3)n2)c1 19565234 ZLBMPQVSIVCJIY-HXUWFJFHSA-N 376.460 3.980 0 40 GHAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4ccccn4)CC3)noc2n1 19569095 CEFUQLDINFARLF-UHFFFAOYSA-N 390.365 3.965 0 40 GHAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)[C@H]1CC(c2ccccc2Cl)=NO1 19662465 XVXNEHQGQBKMAS-LJQANCHMSA-N 398.825 3.856 0 40 GHAB O=C(c1cc(-c2cccc(F)c2)no1)N(Cc1ccccn1)C[C@H]1CCCO1 19666756 WBZDWBIRMLIBTN-GOSISDBHSA-N 381.407 3.697 0 40 GHAB COc1cccc(-c2nccnc2[C@H]2CN(CCc3ccccc3)CCO2)c1 19693163 ZMQARVFNYFGOBO-OAQYLSRUSA-N 375.472 3.768 0 40 GHAB Fc1ccccc1-c1ccccc1CN1CCC[C@H]1c1nnc2n1CCNCC2 19706395 XAMGKNRAHIWBLD-NRFANRHFSA-N 391.494 3.567 0 40 GHAB Cc1nc(C2CCN(C(=O)CCc3ccccc3)CC2)nc2c1CCCN2C 19707089 MEYLPFOWXYXNHZ-UHFFFAOYSA-N 378.520 3.506 0 40 GHAB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2F)o1 19928465 UDOPNRZSVPRHBB-UHFFFAOYSA-N 389.408 3.527 0 40 GHAB COc1ccc(CCN2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 20403866 OZPOSOKOESCAJH-UHFFFAOYSA-N 377.440 3.685 0 40 GHAB biogenic CC(C)CCC(=O)Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 21770840 NZEOZFAAJISYOC-UHFFFAOYSA-N 381.523 3.581 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cccc(Br)c1 22356078 SMADUYXZTWSXML-GFCCVEGCSA-N 388.265 3.625 0 40 GHAB Cc1cc(O)c([C@H](c2ccncc2)N2CCC(C)CC2)c(=O)n1Cc1ccco1 22698341 FDVXCMDCMACEHO-QFIPXVFZSA-N 393.487 3.720 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1C 22732501 KUZKFHRVVPXVBK-QGZVFWFLSA-N 392.546 3.937 0 40 GHAB COc1cccc(CSc2nc(CC(=O)Nc3cccc(C)c3)cc(=O)[nH]2)c1 23242638 NYAIRURQNKODFA-UHFFFAOYSA-N 395.484 3.560 0 40 GHAB COCc1c(C(=O)N2CCN(Cc3ccccc3F)CC2)oc2ccccc12 23440829 FUQKIZOTYILPJP-UHFFFAOYSA-N 382.435 3.676 0 40 GHAB Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)N[C@H](C)c1cc2ccccc2o1 23884348 GQMGONCMHWFFFI-NCUBORBFSA-N 391.406 3.742 0 40 GHAB CCOc1ncccc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 24050389 RSXVALVZKLPFNV-UHFFFAOYSA-N 398.850 3.989 0 40 GHAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1NS(C)(=O)=O 24881428 XKHJFPTWIZXWHU-UHFFFAOYSA-N 396.896 3.818 0 40 GHAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)c1oc2ccccc2c1C 24962699 NHWBYKSTAUADMR-UHFFFAOYSA-N 375.384 3.670 0 40 GHAB CCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 24963274 GBLVIZZETOOUSU-UHFFFAOYSA-N 394.450 3.577 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 25147611 YWXJCWRPZQJAPL-IBGZPJMESA-N 399.491 3.547 0 40 GHAB Cc1ccc2oc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cc(=O)c2c1 27990935 GCNIWXKXHKCLMP-HNNXBMFYSA-N 383.469 3.984 0 40 GHAB Cc1nc(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cs1 29395597 FLNUAFDDWITPPF-UHFFFAOYSA-N 384.832 3.645 0 40 GHAB Cc1c(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)sc2ccccc12 32776508 SNAYEZHXCNEFLF-LBPRGKRZSA-N 395.436 3.969 0 40 GHAB CCOc1cc(C(=O)NCc2ccnc(N3CCCC3)c2)ccc1OC(F)F 32905533 BACDBXFJFKWWFZ-UHFFFAOYSA-N 391.418 3.612 0 40 GHAB O=C(NCCC1=CCCCC1)c1cc(-n2cnnc2)ccc1Br 35684170 NEQXYIUHGAOLFU-UHFFFAOYSA-N 375.270 3.650 0 40 GHAB COc1ccc(-c2ccc(=O)n(CC(=O)c3ccc(Br)cc3)n2)cc1 40267112 ALSZBWJEVZGISO-UHFFFAOYSA-N 399.244 3.564 0 40 GHAB CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(OC)c(C(=O)OC)c1 43079434 SYTRXIHQVAQOQH-MRXNPFEDSA-N 388.489 3.762 0 40 GHAB Cc1ccc2nc(C)c(C(=O)NCc3ccc(-n4nc(C)cc4C)nc3)cc2c1 46312068 CCXQZHDPBUSNFM-UHFFFAOYSA-N 385.471 3.979 0 40 GHAB O=C(CCc1cccc(Cl)c1Cl)N1CCCN(C[C@@H]2CCCO2)CC1 47851420 BADKZUKQIIDYEV-INIZCTEOSA-N 385.335 3.639 0 40 GHAB CC(=O)Nc1ccc(C2=N/C(=C/c3sc(Cl)nc3Cl)C(=O)O2)cc1 48324514 RVLLOOJMHICPGY-UXBLZVDNSA-N 382.228 3.753 0 40 GHAB O=C(NC[C@@H](O)c1cccc(Cl)c1)C1CCN(c2nc3ccccc3o2)CC1 48324759 TVEGGOSDUYTKOQ-GOSISDBHSA-N 399.878 3.547 0 40 GHAB COc1ccc2c(c1)NC(=O)[C@@]21Nc2ccccc2C(=O)N1Cc1ccc(C)cc1 54679976 CIDCBPOYEBKGNH-XMMPIXPASA-N 399.450 3.877 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccccc1 56945932 HLPSJWSANJWQHG-OAQYLSRUSA-N 393.462 3.712 0 40 GHAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(C[C@H]2CCCO2)C4)cc1 57099740 VMQGVFOEYUAHIT-QGZVFWFLSA-N 393.439 3.800 0 40 GHAB biogenic COc1ccc2oc(C)c(C(=O)Nc3ccn(CCc4ccncc4)n3)c2c1 58186250 OVAGUGOCNXAWCL-UHFFFAOYSA-N 376.416 3.836 0 40 GHAB O=C(NCc1ccc(OCC(F)(F)F)nc1)NCc1cc2ccccc2[nH]1 58203257 HPLZGNXQIVKINA-UHFFFAOYSA-N 378.354 3.503 0 40 GHAB COC(=O)c1cc(Cl)ccc1NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 58278519 VFNNKNQEMXQWJG-IZZDOVSWSA-N 398.846 3.905 0 40 GHAB O=C(CCCc1ccccc1)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 61718076 LHQUGLKBDGJOOD-UHFFFAOYSA-N 389.499 3.912 0 40 GHAB COc1ccc(-c2nc(C)cc(SCC(=O)NCc3ccccc3)n2)cc1 67257485 LHKXOMXCYSZNAK-UHFFFAOYSA-N 379.485 3.869 0 40 GHAB COc1ccc(CNC(=O)c2cc(C)nc3c2cnn3C2CCCC2)cc1OC 71279929 NDPQMSUNVQFOAM-UHFFFAOYSA-N 394.475 3.802 0 40 GHAB COc1ccc(C[C@](C)(O)CNC(=O)Nc2ccccc2C(F)(F)F)cc1 77184905 RXRPHXZKDMQYPX-SFHVURJKSA-N 382.382 3.829 0 40 GHAB CC(C)Oc1ccc(CN[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)cn1 95462781 MLGLRDOUEQORGM-FQEVSTJZSA-N 381.520 3.947 0 40 GHAB CCC(CC)(CNC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1)SC 95945812 WXXVZDSPPSJEHU-UHFFFAOYSA-N 398.532 3.580 0 40 GHAB CC(C)c1nc(C[S@@](=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cs1 95963189 SFQOFZMGDFIHMZ-QHCPKHFHSA-N 397.465 3.868 0 40 GHAB COC[C@@H]1CC2(CCN(Cc3ccc(C)s3)CC2)CN1Cc1ccccn1 96051797 OUFGANBEMXYQAG-FQEVSTJZSA-N 385.577 3.955 0 40 GHAB COc1ccc(CNC(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1 96096601 HCHQMPXAOFSSQO-UHFFFAOYSA-N 398.488 3.896 0 40 GHAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cc(C(F)(F)F)ccn1)C(C)C 97236428 IFPULAOMTMERPR-INIZCTEOSA-N 379.382 3.802 0 40 GHAB CCN(CC)C[C@@H]1CCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 107145935 CRBJTMKFGZDLFD-RTWAWAEBSA-N 393.575 3.944 0 40 GHAB O=C(c1ccc(N2CCOCC2)cc1)N1CCS[C@H](c2ccccc2)CC1 206988817 HJHVCDAIXSUPRO-NRFANRHFSA-N 382.529 3.844 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COc2cc3ccccc3cc2C(=O)O)cc1 217716827 GXCSZGROZBAPGU-UHFFFAOYSA-N 393.395 3.732 0 40 GHAB CCSc1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222589842 UCFLUQJOBQRELU-UHFFFAOYSA-N 390.530 3.981 0 40 GHAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)O)o1 222758344 BLNMZYDDAONELT-ROUUACIJSA-N 379.441 3.642 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NCCC(C)C)cc1 222991204 JJFYUIRKLBOWOA-LJQANCHMSA-N 396.531 3.817 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cc1 223019175 KKADJLYADWAEPI-RTWAWAEBSA-N 392.528 3.800 0 40 GHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 223288908 DRLCVYZRBBNDIO-PMACEKPBSA-N 383.565 3.532 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1 223514373 VEMZTZMGKYLQOH-LJQANCHMSA-N 396.531 3.880 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)ccc1C 223896624 WXVDSPHUHAQZQZ-UHFFFAOYSA-N 375.490 3.726 0 40 GHAB Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1N(C)S(=O)(=O)c1ccccc1 224291486 DHNASRUKMQDEGV-MBOZVWFJSA-N 398.528 3.739 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 224556800 QMLGJFWEOBNEHY-AWEZNQCLSA-N 394.924 3.546 0 40 GHAB CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224943131 NDKXZNJKQBBTJN-UHFFFAOYSA-N 388.272 3.995 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)Cc2cccc(Br)c2)cc1 225611700 QUMPOHXYWZTCDP-ZDUSSCGKSA-N 378.266 3.584 0 40 GHAB O=C(c1ccc2[nH]ccc2c1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225733011 UEZGRWDQQOGDAF-OAHLLOKOSA-N 375.350 3.875 0 40 GHAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(C(=O)N(C)C)cc1 225741623 NGVNDAYLYSLVNC-MRXNPFEDSA-N 396.560 3.516 0 40 GHAB O=C(c1cc(Br)ccc1Cl)N1CC[C@@H](Oc2ccccn2)C1 238928955 UXHHNBZUCDGYPL-GFCCVEGCSA-N 381.657 3.791 0 40 GHAB CS(=O)(=O)Nc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 408601518 AFVDKKMAQRLWON-UHFFFAOYSA-N 380.469 3.578 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 408638507 CRKAJPUWMCGKNO-SFHVURJKSA-N 394.471 3.944 0 40 GHAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(C)c3ccccc3)[C@H]2C1=O 409370461 RFRFLAWLLIAAQU-MOXQZVSFSA-N 399.446 3.868 0 40 GHAB Cc1nc(-c2ccc(S(=O)(=O)N3CCCC[C@@H]3c3cc[nH]n3)s2)cs1 552105587 LYJGEHZMGVKZKQ-CQSZACIVSA-N 394.547 3.819 0 40 GHAB Cc1cccc(N(CC(=O)N2CCCCC2)C(=O)c2cn(C)nc2C(C)(C)C)c1 585085610 GYORJPLYGWGXSL-UHFFFAOYSA-N 396.535 3.685 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 618825173 LIJWBSMGCZCCBK-UHFFFAOYSA-N 384.457 3.923 0 40 GHAB Cc1cccc2c1N(C(=O)COc1ccccc1)CCCN(C(C)C)CCNC2 643588907 LWBOAZNOMXNIAD-UHFFFAOYSA-N 395.547 3.611 0 40 GHAB C[C@H](NC(=O)c1cc(C2CCOCC2)nn1C)c1cccc(C(F)(F)F)c1 1262683528 LVIWOAPIFGCNIX-LBPRGKRZSA-N 381.398 3.824 0 40 GHAB CC[C@@H]1CCC[C@H](CCCNC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)N1 1505840648 LCDSFEBAJCEZQM-DPVAKWRKSA-N 393.616 3.771 0 40 GHAB CCCC1(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)c4ccc(Cl)cc4)C[C@@H]32)CCC1 1615058528 PZEANWWIISIOFT-WQANXHIZSA-N 388.939 3.987 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CCC(COc2ccc(C)nn2)CC1 1775970385 KXKQCEAOVPQNFV-UHFFFAOYSA-N 390.871 3.770 0 40 GHAB COc1ccc(CNC(=O)NC[C@H](O)c2ccc(-c3cccs3)cc2)cc1 1775977494 IROILWVSRBGNJZ-IBGZPJMESA-N 382.485 3.957 0 40 GHAB Cc1cccc(C)c1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 790768 MUGPJMQQKUCSPM-GFCCVEGCSA-N 381.501 3.838 0 40 GHAB COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C)c(C)c2)cc1OC 800836 QYGROTYZAULFCT-IBGZPJMESA-N 393.530 3.757 0 40 GHAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(C)CC2)cc1 934801 BTIQMISUSDDOHP-HXUWFJFHSA-N 393.487 3.669 0 40 GHAB Cc1cc(NC(=O)CSc2nnc3c(C)cc4cc(C)c(C)cc4n23)no1 1223259 BTFPTEFYTUSULQ-UHFFFAOYSA-N 381.461 3.835 0 40 GHAB O=S(=O)(Nc1nc2ccccc2nc1N1CCCCCC1)c1ccccc1 1650344 NLYBSDNKLFTAMV-UHFFFAOYSA-N 382.489 3.811 0 40 GHAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(C)c2)n1N 2373809 NWZMMVZRLLNABG-UHFFFAOYSA-N 381.505 3.569 0 40 GHAB CCCNC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2394504 JCYORBSZBBLYNL-UHFFFAOYSA-N 379.851 3.949 0 40 GHAB NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 2625409 BZTORVMAWIEVSG-UHFFFAOYSA-N 379.272 3.819 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)c(C)c1 4077951 KTVSPXCJGNSRES-UHFFFAOYSA-N 378.523 3.870 0 40 GHAB Cc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1 4263996 YVEBDETWMREOII-HNNXBMFYSA-N 386.517 3.976 0 40 GHAB CCOc1cccc(-c2nnc3n2N=C(c2cc(OC)ccc2OC)CS3)c1 4325677 RGVLXCJEACYJJP-UHFFFAOYSA-N 396.472 3.719 0 40 GHAB COc1cccc2sc(N(CCN(C)C)C(=O)CCc3ccccc3)nc12 4359256 UMWZXKIVUZVUOK-UHFFFAOYSA-N 383.517 3.832 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc2ccc(Cl)cc2s1 4496255 RWYUAFQFNRTUGJ-UHFFFAOYSA-N 398.868 3.891 0 40 GHAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c(C)n1C1CC1 4513188 GRLZJVBRQIMWGA-NRFANRHFSA-N 399.878 3.743 0 40 GHAB O=C1N(c2ccccc2)N=C(c2ccccc2)C1(Br)Br 4669059 QKWLJFBXFBJTOH-UHFFFAOYSA-N 394.066 3.924 0 40 GHAB CC(C)(C)NC(=O)Nc1nnc(SCC(=O)Nc2cccc(Cl)c2)s1 4851534 PTMUXNBEYVHLCW-UHFFFAOYSA-N 399.929 3.842 0 40 GHAB Cc1cccc(C)c1OCc1nnc(SCC(=O)N(C)C)n1-c1ccccc1 5890126 LDOUQQJNFYHPHQ-UHFFFAOYSA-N 396.516 3.643 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 6222509 KJDDHEHOVCUUMX-WSDLNYQXSA-N 382.803 3.991 0 40 GHAB Cc1ccc2nc(-c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)cn2c1 6244500 OYVSHSIYQRRBRE-IAGOWNOFSA-N 383.517 3.976 0 40 GHAB C=CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2CCc2ccccc2)C1=O 6303604 UIBZHDCBERELPA-FGZHOGPDSA-N 399.494 3.623 0 40 GHAB biogenic COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1NC(C)=O 6315867 OFTZAHRGYANDIQ-UHFFFAOYSA-N 389.260 3.761 0 40 GHAB COc1ccc(C(=O)CSc2nnc(COc3ccc(C)cc3C)n2C)cc1 6426131 RQODSRDNFGWVHJ-UHFFFAOYSA-N 397.500 3.995 0 40 GHAB CCCCOC(=O)CN1C(=O)S/C(=C\c2c(C)n(C)c3ccccc23)C1=O 6629053 MVYVKABRBBKGSE-BOPFTXTBSA-N 386.473 3.866 0 40 GHAB CCN(C(=O)Cn1nnc(-c2cccc(F)c2)n1)c1cccc2ccccc12 6649081 MYMPBLIFHAJANP-UHFFFAOYSA-N 375.407 3.686 0 40 GHAB COc1ccc(N(CCOc2ccccc2)S(=O)(=O)c2ccccc2)cc1 6653125 IBKUHVBVBHMBBZ-UHFFFAOYSA-N 383.469 3.970 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3cccnc3)c2)c1 6681246 DBJVIIPZYYUENA-UHFFFAOYSA-N 387.486 3.529 0 40 GHAB CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2C[C@@H]1C 6878207 WMSSZPCEEIAKMY-LBPRGKRZSA-N 378.881 3.747 0 40 GHAB O=S(=O)(NCC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 7310227 VYFAVJORTRLGHG-UHFFFAOYSA-N 395.480 3.568 0 40 GHAB C/C=C/c1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c(OC)c1 7640816 NQCZTMSUXKETSJ-HWKANZROSA-N 380.444 3.873 0 40 GHAB CC(=O)Nc1cccc(C(=O)N(Cc2cccnc2)c2ccc3c(c2)OCO3)c1 7735593 IAUCPWYTPIYLPP-UHFFFAOYSA-N 389.411 3.616 0 40 GHAB O=C(CN1CCc2sccc2[C@@H]1C1CC1)NCCc1c[nH]c2ccccc12 7880494 LGVDHQYSCYAFEO-QFIPXVFZSA-N 379.529 3.898 0 40 GHAB O=C(Cn1nnc(-c2cccs2)n1)N[C@H](Cc1ccccc1)c1ccccc1 8403549 BILRINPDLWTWFO-GOSISDBHSA-N 389.484 3.502 0 40 GHAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1cc(Cl)c2c(c1)OCO2 8547164 KLZWZZHQMIMSJO-UHFFFAOYSA-N 383.183 3.946 0 40 GHAB CC(C)(C)c1ccc(-c2csc(NC(=O)CN3CSCC3=O)n2)cc1 8718145 VCARMBMGSCSTIX-UHFFFAOYSA-N 375.519 3.579 0 40 GHAB CCC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 8778182 NODPLDQTWKWMRO-ZDUSSCGKSA-N 386.945 3.679 0 40 GHAB COCCCN1C(=O)c2oc3cc(C)ccc3c(=O)c2[C@@H]1c1ccc(C)cc1 8916645 BPRNPRCCFRCEJG-FQEVSTJZSA-N 377.440 3.992 0 40 GHAB CC[C@H](C(=O)Nc1nc(-c2ccccc2)cs1)n1nnc2ccccc2c1=O 9025731 FYYLNQOOTOYGPV-QGZVFWFLSA-N 391.456 3.505 0 40 GHAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C 9137812 ICYSNESOUOZYBH-UHFFFAOYSA-N 382.460 3.648 0 40 GHAB O=C(c1cc(C2=NN=C(Nc3ccc(Cl)cc3)SC2)c[nH]1)N1CCCC1 9377149 FCAALOUVEJPSOE-UHFFFAOYSA-N 387.896 3.823 0 40 GHAB C[C@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(-n2ccnc2)cc1 9549694 OJBCHHFVZJZGAR-HNNXBMFYSA-N 389.484 3.811 0 40 GHAB COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(F)cc3)cs2)cc1 9628019 GJNXODAMVPVMFC-UHFFFAOYSA-N 385.420 3.724 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)c1ccc(CN2CCCCC2)cc1 10235289 MDUKYNPZFDIMGV-UHFFFAOYSA-N 388.515 3.847 0 40 GHAB COc1ccc(NC(C)=O)cc1NCC(=O)N1CC[C@@H](C)Sc2ccccc21 11620440 OWFDNRNIRHAPBL-CQSZACIVSA-N 399.516 3.983 0 40 GHAB CCn1c2cc(C)sc2c2cnn(CC(=O)N3[C@@H](C)CCC[C@@H]3C)c(=O)c21 12156856 CUIYMLLAZJNZNW-STQMWFEESA-N 386.521 3.531 0 40 GHAB COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(C)c(C)c3)CC1)O2 12293512 BDMRJLAITIJBIC-VXKWHMMOSA-N 397.515 3.696 0 40 GHAB C[C@H](NC(=O)[C@H](C)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 12743707 XGSGUGPHXIYIAM-TWOQFEAHSA-N 398.478 4.000 0 40 GHAB Cc1ccc(Cl)c(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1Cl 12771309 NGTBMILYFIHCFG-UHFFFAOYSA-N 384.244 3.819 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)CC1=O 12802337 BXNCUHCZPJUPRH-GFCCVEGCSA-N 378.350 3.706 0 40 GHAB COc1ccc([C@H](CNC(=O)c2cnc(C)cn2)c2c[nH]c3ccccc23)cc1 12813434 RBRWZTQCWDLHJH-IBGZPJMESA-N 386.455 3.837 0 40 GHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCOc1ccccc1C 12910772 DCPHFZMHWQFUFF-UHFFFAOYSA-N 388.895 3.582 0 40 GHAB CCOc1cc2c(cc1CNC(=O)c1ccccc1OC(F)F)O[C@H](C)C2 12915637 QUQBHQKKYGNNOD-GFCCVEGCSA-N 377.387 3.940 0 40 GHAB COc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1Br 13002283 FMHAECSAYYGUCD-ZDUSSCGKSA-N 383.311 3.552 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C/c1ccc2c(c1)OCCCO2 13097985 LAXUDSGQGTXGEF-PKNBQFBNSA-N 394.471 3.575 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(OC(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 13711631 DZEXHQNQELHGIK-IBGZPJMESA-N 390.505 3.657 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(Cn2nnc3ccccc32)cc1 14129742 ZQERTERAXMNNBX-LJQANCHMSA-N 384.439 3.733 0 40 GHAB C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccc2ccccc2c1 14186462 JFXDHPKEPLDJJF-CYBMUJFWSA-N 385.261 3.641 0 40 GHAB COc1ccc2cc(C(=O)NCc3ccccc3CN3CCOCC3)ccc2c1 14229196 DDGHEKAAFMWHTM-UHFFFAOYSA-N 390.483 3.611 0 40 GHAB CC(C)(C(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccccc1 14625684 NKZJOUOXGHSKQX-SDXDJHTJSA-N 394.496 3.817 0 40 GHAB O=C(CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)NCCc1cccs1 14897955 CIKKUBLVXPHNNF-VMPITWQZSA-N 388.493 3.627 0 40 GHAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1cnn(-c2ccccc2)c1)N3 15502838 ULDPOGUPXYZBHJ-GOSISDBHSA-N 375.457 3.953 0 40 GHAB O=S1(=O)CC[C@H](Sc2nc3c(c(-c4ccc(Cl)cc4)n2)CCCC3)C1 16429366 IVWYSMQZMJFADN-AWEZNQCLSA-N 394.949 3.955 0 40 GHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(F)cc3)cc21 17286595 PPHIHKWJBHPBJD-UHFFFAOYSA-N 376.453 3.570 0 40 GHAB Cc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 19136083 HQSNGCVGYDNRSF-DYESRHJHSA-N 378.520 3.630 0 40 GHAB O=C(NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)c1cscn1 19340560 YGFRJVRWYGHKMJ-UHFFFAOYSA-N 393.447 3.638 0 40 GHAB NC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)C2CCC2)C1 19368351 JOUFQEQFECDWIL-XMMPIXPASA-N 394.490 3.929 0 40 GHAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1c[nH]c2ccc(F)cc12 19374899 QUDNUGSXUNYYOT-NHCUHLMSSA-N 396.462 3.691 0 40 GHAB CCC(=O)N1CCC[C@](Cc2ccccc2-c2ccncc2)(C(=O)NC(C)C)C1 19498678 YWJOQXBGSCCBHP-XMMPIXPASA-N 393.531 3.835 0 40 GHAB CCOCCCNc1ncc(-c2ccnc(N3CCCC3)n2)c(-c2ccco2)n1 19531047 PHJIGUDXGHYJHF-UHFFFAOYSA-N 394.479 3.632 0 40 GHAB CNC1CCC2(CC1)CN(Cc1ccc(OC)c(OC)c1)Cc1ccccc1O2 19591984 OCDCXNMEPKCUCY-UHFFFAOYSA-N 396.531 3.999 0 40 GHAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CC2)nc(C2CC2)n1 19592085 GTSDGUQSNKQAAZ-GOSISDBHSA-N 375.476 3.687 0 40 GHAB COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3cccc(Cl)c3Cl)C2)n1 19594315 ZDQYBUMKYKFUBX-CYBMUJFWSA-N 382.291 3.603 0 40 GHAB Cc1cc(C)nc(N2CCO[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)n1 19692934 GHZGAQVTBIEANT-OAQYLSRUSA-N 378.451 3.796 0 40 GHAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NC2CCCCC2)cc1 19880948 FOSLVROHXIDRAS-LTGZKZEYSA-N 378.472 3.915 0 40 GHAB O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@]12CC(O)=Nc1[nH]ncc12 20730846 SLUNIZDZMHZVDJ-FQEVSTJZSA-N 378.819 3.888 0 40 GHAB COc1ccc(CN(C)C(=O)CCc2c[nH]c3ccccc23)c(OC)c1OC 21922424 MUPZJKBVSHOBTF-UHFFFAOYSA-N 382.460 3.785 0 40 GHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 22511425 SWWSTBUJKCDVBT-FUHWJXTLSA-N 396.487 3.564 0 40 GHAB CCOC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)CC1 23403882 ISHYXSXJRCMDOI-UHFFFAOYSA-N 399.491 3.594 0 40 GHAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24302065 WAFHYFYGVUITOV-UHFFFAOYSA-N 391.298 3.886 0 40 GHAB O=C(Nc1nc2ccccc2nc1N1CCCC1)C1C[C@@H]2CCC[C@H](C1)C2=O 24964572 SNFCIVCQVMIKAP-XYPWUTKMSA-N 378.476 3.564 0 40 GHAB CCOC(=O)C1=C(CNc2ccccc2CC)NC(=O)N[C@@H]1c1cccs1 24992440 GEYAFHVJANUEMR-GOSISDBHSA-N 385.489 3.594 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](C)c1cc2cccc(OC)c2o1 25195378 WSPQSVDLKRIPDO-CYBMUJFWSA-N 376.412 3.745 0 40 GHAB Cc1ccc(-c2noc(CN(C)Cc3ccc(C(=O)NC4CC4)cc3)n2)cc1 27288961 OEGZEMITGIQONE-UHFFFAOYSA-N 376.460 3.569 0 40 GHAB CC(C)(CNc1nnc(-c2ccc(F)cc2)c2ccccc12)N1CCOCC1 33012145 RYLYXNQZIRSPNG-UHFFFAOYSA-N 380.467 3.959 0 40 GHAB COc1ccc(CCNC(=O)CCC(=O)c2ccc(Cl)s2)cc1OC 33028294 GZCGUUPWNQXNNB-UHFFFAOYSA-N 381.881 3.741 0 40 GHAB CCc1ccc(N2CC3=C(C2=O)[C@H](c2ccc(Cl)cc2)NC(=O)N3C)cc1 35326466 UZVALQVHPIVLEI-IBGZPJMESA-N 381.863 3.899 0 40 GHAB C[C@H]1C[C@@H](OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)CC(C)(C)C1 35338764 SKTOVRLIDRMZIZ-IOMROCGXSA-N 378.532 3.540 0 40 GHAB COc1cc(CNC(=O)CCc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 38575634 PMUNUXRXQWPBSU-UHFFFAOYSA-N 397.393 3.980 0 40 GHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NCCCCc1ccccc1 40067860 AKLYXDQMVWVBTG-KRWDZBQOSA-N 388.533 3.815 0 40 GHAB CN(Cc1ccccc1Cl)C(=O)NCc1ccccc1CN1CCCC1=O 40069063 GQYKQQLJXHQXJY-UHFFFAOYSA-N 385.895 3.804 0 40 GHAB COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 40120728 GKOBNGDOQHYOSU-GOSISDBHSA-N 384.432 3.859 0 40 GHAB C[C@H]1CN(c2ccc(NC(=O)c3cnc4ccccc4n3)cc2F)C[C@H](C)O1 40145499 JMKPIJPFYLMWNQ-KBPBESRZSA-N 380.423 3.635 0 40 GHAB COc1ccc(CCCNC(=O)c2ccc(CN3CCCC3)cc2)cc1OC 44851782 FCKHDLDCYFMWJB-UHFFFAOYSA-N 382.504 3.662 0 40 GHAB O=S(=O)(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccccc1F 48332484 HCAOXCYEUYUASF-KRWDZBQOSA-N 382.888 3.595 0 40 GHAB COc1cc(C(=O)NCCc2ccc(OC(F)(F)F)cc2)cc(OC)c1OC 48353638 CVZDQFUVBLARNV-UHFFFAOYSA-N 399.365 3.584 0 40 GHAB COc1ccccc1[C@@H](C)N(C)CC(=O)NCC1(c2ccccc2)CCOCC1 48365530 DNZXLRCLJDBEKP-LJQANCHMSA-N 396.531 3.553 0 40 GHAB COc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 58449979 AFDFZBGHNRAZRK-GOSISDBHSA-N 389.499 3.998 0 40 GHAB CCOC(=O)CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN([C@H](C)CC)C3 61969175 VMLRCNXEUADQCJ-CYBMUJFWSA-N 387.476 3.856 0 40 GHAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(C(F)(F)F)c1 70762355 FPIDXFJDQRZUOT-OAHLLOKOSA-N 377.284 3.885 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2csc(-c3ccc(F)cc3)n2)no1 71801135 OLSAUCJNTPMUFM-RPHGYIDUSA-N 393.465 3.522 0 40 GHAB CN1CCC(C(=O)N2CCC(c3cccc(Cc4ccccc4F)n3)CC2)CC1 72350395 MCOZBPICTDLVKJ-UHFFFAOYSA-N 395.522 3.859 0 40 GHAB CCc1ccc(S(=O)(=O)NCC[C@H](O)c2cccc3ccccc23)s1 77117751 HMJQJXVQESSWTI-SFHVURJKSA-N 375.515 3.866 0 40 GHAB CC[C@H](Cc1ccc(C)cc1)N(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 78903514 GVWREYWUZRHIRV-GOSISDBHSA-N 387.487 3.875 0 40 GHAB Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc(C(=O)O)c(Cl)c2)cc1C 78938688 ZHJNPGUNOVEYIX-UHFFFAOYSA-N 392.864 3.764 0 40 GHAB CC(C)[C@H](OC(=O)c1c[nH]c2ccccc12)C(=O)N1CCc2sccc2C1 89775832 KOFHAHRGXREPDS-IBGZPJMESA-N 382.485 3.996 0 40 GHAB CCOc1cc(CNc2cn(C)nc2C)ccc1OCC(=O)Nc1ccccc1 89990996 GXWLYYRYBXRATA-UHFFFAOYSA-N 394.475 3.757 0 40 GHAB CC(C)n1ccc2c(NC(=O)CCCn3nnc4ccccc4c3=O)cccc21 95475480 PZQFNWMAKCKPMZ-UHFFFAOYSA-N 389.459 3.746 0 40 GHAB CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc3[nH]ccc3c2)cc1 95958993 OOWDWZGAEZFXDP-LJQANCHMSA-N 395.484 3.720 0 40 GHAB O=C(c1cccc(-c2noc(C3CC3)n2)c1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 95983016 XWHXVQSXWLLEQB-MOPGFXCFSA-N 393.418 3.701 0 40 GHAB O=C(c1cnc2ccccc2c1)N1CC[C@]2(CCN2Cc2ccc(F)cc2)C1 96076061 PQVKRFFLKDIBCC-QHCPKHFHSA-N 375.447 3.865 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N2CCCC[C@@H]2CCO3)cc1F 96103657 QROKVVLWVMHZIH-MRXNPFEDSA-N 398.434 3.864 0 40 GHAB CCOC(=O)c1nc(NC(=O)c2cccnc2)sc1-c1ccc(OC)cc1 96343508 BXJVNZJMYMRVQD-UHFFFAOYSA-N 383.429 3.643 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccncc3)CC2)n1 100738810 FZWLRBLWASKZOU-IZAXUBKRSA-N 387.487 3.946 0 40 GHAB COc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 101277176 OIGQCDPJWJPIBP-OAHLLOKOSA-N 395.242 3.755 0 40 GHAB COc1cc([C@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ncnn32)ccc1O 102725027 ODSPIWBYCZGRBF-BLVKFPJESA-N 378.388 3.651 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)c1cc(C)ccc1C)N(c1ccccc1)S(C)(=O)=O 113945778 QZZQCRZFELWMBJ-XLIONFOSSA-N 388.533 3.725 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2ccccc2OC)CC1 222947007 GDKXZYOKGXOTGX-HXUWFJFHSA-N 382.504 3.818 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 222953978 LLAJUBLIXAQMBJ-OAQYLSRUSA-N 396.531 3.916 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccc(C)c(Cl)c1 224189703 HAVWRBBPZRPFPH-UHFFFAOYSA-N 390.288 3.668 0 40 GHAB COc1ccc(NC(=S)NCc2nc(-c3cccc(C)c3)no2)cc1OC 225814567 DAHYXKJFFDALQY-UHFFFAOYSA-N 384.461 3.549 0 40 GHAB Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3N2)o1 253595497 FFZJWVNDKSSNQB-WSYSLKOQSA-N 393.487 3.582 0 40 GHAB Cc1cnc(CN2CCCC[C@@H]2c2cc(C)nc(-c3c(C)noc3C)n2)cn1 257209909 BSJPCZIEBCLOJV-LJQANCHMSA-N 378.480 3.882 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)s1 257240257 HSTOQIUAJZUHJZ-OAHLLOKOSA-N 394.504 3.708 0 40 GHAB Cc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccccn5)CCO4)nnn3c2)cc1 306130541 JJBDBLLMPFJKII-QFIPXVFZSA-N 385.471 3.673 0 40 GHAB CCn1nccc1-c1nc(C2CCN(C(=O)Cc3ccccc3Cl)CC2)no1 390827608 IHXBUUBFDZNELV-UHFFFAOYSA-N 399.882 3.555 0 40 GHAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 408582129 BOGNTNUCMMNBAN-UHFFFAOYSA-N 381.885 3.918 0 40 GHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccccc2C(C)=O)CC1=O 408650896 BVSGSCQMPJEWSD-SFHVURJKSA-N 379.456 3.973 0 40 GHAB Cc1cc(C)cc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408674015 XCLDXKHMTHGSDI-LVNJIZSUSA-N 386.451 3.867 0 40 GHAB Cc1nc(COc2ccc(CN3C[C@@H](C)C(=O)Nc4ccccc43)cc2)no1 513570679 DBBHITGLPDQPEG-CQSZACIVSA-N 378.432 3.552 0 40 GHAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1OC)CC2 524734875 GJSHPVYZYHIKHJ-KRWDZBQOSA-N 393.443 3.520 0 40 GHAB Fc1cccc2nc(CN3CCCC[C@H]3c3nnc(C4CCOCC4)o3)[nH]c12 583621735 DNRPGGJXGABCLC-INIZCTEOSA-N 385.443 3.706 0 40 GHAB O=C(N[C@H](Cc1ccccc1)CC1CCCCC1)C1CCS(=O)(=O)CC1 584906870 GZJUHXQHYYABPF-HXUWFJFHSA-N 377.550 3.509 0 40 GHAB CN(Cc1cccnc1)C[C@H]1CCCN(C(=O)Cc2ccc(Cl)s2)C1 585080051 UXBRYDRMIAQAJH-MRXNPFEDSA-N 377.941 3.710 0 40 GHAB Cc1nc2cc(NC(=O)C3CCN(c4cc5c(nn4)CCC5)CC3)ccc2s1 585150283 JESYPNXEKJRLTP-UHFFFAOYSA-N 393.516 3.739 0 40 GHAB Cc1cc(N2CCN(C(=O)C3(c4ccc(F)cc4)CCC3)CC2)nc(C(C)C)n1 615340844 JKZYCPWKLCPFSE-UHFFFAOYSA-N 396.510 3.818 0 40 GHAB Brc1ccc2oc(CN3CCN(Cc4cscn4)CC3)cc2c1 667545526 BDUXHBRRRHECJP-UHFFFAOYSA-N 392.322 3.970 0 40 GHAB O=C(N[C@@H](CO)[C@H](O)C1CCCCC1)c1ccc(-c2ccc(F)cc2)cc1F 1169415553 PFFCGLBKFMSTRA-LEWJYISDSA-N 389.442 3.664 0 40 GHAB CN([C@H](CO)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccc2cnccc12 1615054704 AMVUXMUOJNWRRB-HXUWFJFHSA-N 398.528 3.886 0 40 GHAB O=S(=O)(NCc1nc(-c2ccccc2F)cs1)c1cccc(Cl)c1O 1655188929 KLRBSYRDOUHHNY-UHFFFAOYSA-N 398.868 3.787 0 40 GHAB COc1ccc(C2(C(=O)NCCn3ccc4ccc(F)cc43)CCOCC2)cc1 72400399 KAXFYKIBWBRTJS-UHFFFAOYSA-N 396.462 3.654 0 40 GHAB COc1cc([C@H]2CC(=O)Nc3nc(N)sc32)ccc1OCc1ccc(F)cc1 12419390 WKVJNSREKRDTIW-CQSZACIVSA-N 399.447 3.926 0 40 GHAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)N3CCc4ccccc43)n21 892090 DQFOPYSEAVPWQL-UHFFFAOYSA-N 390.512 3.918 0 40 GHAB COc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2OC)n1 3107764 PLPXPPAMNKSBEO-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB Nc1nc(Cl)cc(NCCCCCCCCNc2cc(Cl)nc(N)n2)n1 1620414 GBSDXZVWFGECBR-UHFFFAOYSA-N 399.330 3.602 0 40 GHAB COC(=O)C(C)(C)NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 23152088 RZYWPBYSMZCMQY-UHFFFAOYSA-N 386.395 3.819 0 40 GHAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CCCOc2ccc(F)cc21 54283608 QESFVZNDWKIJDM-CQSZACIVSA-N 384.436 3.691 0 40 GHAB COc1ccccc1NC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 2705610 HYQVUBAXLSWQPV-UHFFFAOYSA-N 395.484 3.908 0 40 GHAB c1ccc(OCCN2CCN(c3ccc(-c4nc5ccccc5[nH]4)cn3)CC2)cc1 24001962 XDVDIIQDDSTGSP-UHFFFAOYSA-N 399.498 3.826 0 40 GHAB Cc1ccc(C(=O)Nc2cccc([C@@H]3N=C(N)Nc4nc5ccccc5n43)c2)cc1 4865052 DPYQEUXTHYXTPL-HXUWFJFHSA-N 396.454 3.884 0 40 GHAB Cc1c(C(=O)Nc2ccc(Cl)cn2)nnn1-c1cccc(Br)c1 55013288 SALYXRCHPMNCIF-UHFFFAOYSA-N 392.644 3.639 0 40 GHAB CCOc1cc(/C=C2\SC(=O)N(CCOC)C2=O)ccc1OCC(C)C 6961033 UATDSFPHFLUVRG-BOPFTXTBSA-N 379.478 3.803 0 40 GHAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)o2)cc1 7610289 PEQOJFPOZVQZTJ-UHFFFAOYSA-N 386.408 3.565 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2[C@@H](C1)CN2Cc1ccccc1Cl 107249379 BXCIPSYHFXRPMJ-VQIMIIECSA-N 375.299 3.879 0 40 GHAB COc1cc(NC(=O)NCc2cccc(CN(C)C)c2)c(OC)cc1Cl 43449322 DLCRQEWFNOMPEH-UHFFFAOYSA-N 377.872 3.741 0 40 GHAB C[C@@H]1CCCC[C@@H]1N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 57698467 SVSXLBRHFDFOOD-XLIONFOSSA-N 378.582 3.869 0 40 GHAB C[C@H](CCc1ccco1)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 12557034 SCLCKEJIKBQMJZ-MRXNPFEDSA-N 398.484 3.832 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H]1CCCO[C@@H]1C(C)C 107070917 SAMIRNCCPDFMTA-AYOQOUSVSA-N 394.943 3.662 0 40 GHAB Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)[nH]n2)cc1 28988252 UFXZCUGUYFMJHJ-HNNXBMFYSA-N 395.434 3.728 0 40 GHAB CC[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1CC(C)C 57426221 XXWWORWUQBDRHP-AWEZNQCLSA-N 393.578 3.997 0 40 GHAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc(Br)cc1 3234822 GXBJKJWJVUNEOU-UHFFFAOYSA-N 396.262 3.655 0 40 GHAB CSCC[C@H](C(=O)Oc1c(C)ccc(C)c1C)N1C(=O)c2ccccc2C1=O 3281491 SNTUYKSLXRYLAY-GOSISDBHSA-N 397.496 3.935 0 40 GHAB O=C(NCc1ccc(F)cc1)c1nnc(CN2CCC[C@@H]2c2ccccc2)s1 26913223 NVSGAMTTXSUUNN-GOSISDBHSA-N 396.491 3.944 0 40 GHAB Cc1cccc(NC(=O)CSC2=NN(C)CC(Oc3ccccc3)=N2)c1C 57401720 XGEPMCFMHKGZMD-UHFFFAOYSA-N 382.489 3.669 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3C(c4ccco4)=NN(c4ccccc4)[C@H]3C2=O)cc1C 101460699 DUAZFZNBTWKWRO-TZIWHRDSSA-N 385.423 3.679 0 40 GHAB CCCOc1cccc(C(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)c1 12651670 NWBWGPNLGYWTQM-UHFFFAOYSA-N 393.472 3.572 0 40 GHAB CCCCOc1cccc(C(=O)Nc2nnc(S(=O)(=O)CCCC)s2)c1 27748933 LGBAJFSNAQSRSR-UHFFFAOYSA-N 397.522 3.543 0 40 GHAB Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(F)c(N4CCCC4=O)c3)c2)cs1 48250339 HONAJAOWRCUVNI-UHFFFAOYSA-N 384.436 3.965 0 40 GHAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2nc(-c3ccccc3)cs2)C1=O 12748110 VIABMQAVRRFODF-AWEZNQCLSA-N 393.468 3.953 0 40 GHAB Cc1cnc(C(=O)N2[C@H](COc3cccc(C(F)(F)F)c3)[C@@H]3CC[C@@H]2C3)cn1 100112619 KRJLJPUJKHBOMI-DDUZABMNSA-N 391.393 3.876 0 40 GHAB COC(=O)/C=C/c1ccc(OCc2cc(Cl)c3c(c2)OCO3)c(OC)c1 29302246 ZUQVMZZUHVNHDJ-GQCTYLIASA-N 376.792 3.843 0 40 GHAB COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)no2)cc1 11905231 WNHZBZUPVSLWPU-SFHVURJKSA-N 381.432 3.510 0 40 GHAB COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3COc4ccccc4O3)n2)c1 2646104 XOMSKPLWUXDCIK-GOSISDBHSA-N 398.440 3.606 0 40 GHAB CCn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1-c1cccs1 2628119 IZZFDJIDLYDSAY-UHFFFAOYSA-N 390.509 3.617 0 40 GHAB COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1F 2683791 SIXJGQVNYIVYKB-HXUWFJFHSA-N 398.434 3.556 0 40 GHAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NC[C@@H](c1cccs1)N1CCCC1 29929539 DGWMLYIXPPHHPD-CFGKVWFZSA-N 392.528 3.900 0 40 GHAB CC[C@@H](NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccccc1 20490507 TYTHGUXHQWUKGL-GOSISDBHSA-N 394.924 3.682 0 40 GHAB C[C@H](c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)n1cc(Cl)cn1 2731578 RFLNXDZXQUGFND-GFCCVEGCSA-N 385.884 3.986 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1nc(-c2cccs2)no1 2733086 HGKGODICEPFOFX-UHFFFAOYSA-N 379.445 3.531 0 40 GHAB COc1cccc(-c2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)cs2)c1 12882426 MUMOCXQJXRSRKF-UHFFFAOYSA-N 392.477 3.779 0 40 GHAB Cc1cc(Cl)cc(C)c1OCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 12998213 AUYJNVLWHZKBNX-OAHLLOKOSA-N 384.867 3.794 0 40 GHAB O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2cc3ccccc3o2)cs1 12902874 QVOSOQOFNHDMGQ-UHFFFAOYSA-N 396.449 3.901 0 40 GHAB O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2c(nc(-c3ccccc3)[nH]c2=O)N1 9168716 ABYZDLSQCRFQMQ-CQSZACIVSA-N 385.345 3.930 0 40 GHAB CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2csc(C(C)C)n2)C1 96000032 FORUHNGJXQRYCH-CYBMUJFWSA-N 376.530 3.511 0 40 GHAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1cc2cccc(OC)c2o1 13690010 OCCHEYLWSWEQHR-UHFFFAOYSA-N 394.383 3.970 0 40 GHAB C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)OCC(N)=O)c2C1 6175825 WRERGYHCBIBLOB-SUCHYCSPSA-N 386.451 4.000 0 40 GHAB Cc1ccnc(NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c1 95402671 DFPIGVJGJOHYCQ-QGZVFWFLSA-N 380.275 3.709 0 40 GHAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 5262948 UOGGLUYYULQLKJ-ZDUSSCGKSA-N 397.456 3.729 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)C(=O)NCC1(c2ccccc2)CCCC1 4525334 CXAJIHSZOKTVAJ-LJQANCHMSA-N 378.516 3.752 0 40 GHAB O=C(c1ccc(-n2cnnn2)cc1)N1CCc2sccc2[C@H]1c1cccs1 9449133 YAYKYOXQEHYFET-SFHVURJKSA-N 393.497 3.573 0 40 GHAB COCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2 5562588 ZFHJXKLQOWPJBQ-IAGOWNOFSA-N 397.866 3.663 0 40 GHAB C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1nnc2ccccc2c1=O 6659899 JDDPFLHSEVOAQP-VIFPVBQESA-N 396.756 3.663 0 40 GHAB Cc1ccc(-n2nnnc2[S@@](=O)Cc2c(F)cccc2Cl)cc1Cl 4789174 KSECDXNEGZXLAG-XMMPIXPASA-N 385.251 3.724 0 40 GHAB CCOC(=O)c1ccccc1NC(=S)N1CCN(c2ccccc2F)CC1 4767825 UGIANEFPRRZSEP-UHFFFAOYSA-N 387.480 3.521 0 40 GHAB CCC(CC)c1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1 4815949 IWRRHGMKHUNYSI-UHFFFAOYSA-N 376.482 3.526 0 40 GHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCCCC2)c1 4872536 BRGULJXPUDQHMR-IBGZPJMESA-N 388.508 3.913 0 40 GHAB O=c1c2sccc2n(Cc2cc(F)ccc2F)c(=O)n1-c1ccccc1F 67258240 IZLJEGMHYCKICO-UHFFFAOYSA-N 388.370 3.680 0 40 GHAB Cc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cccc(Cl)c2C)c1C 67323514 UIHRUDHSOZWASA-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 7213348 REZVIIHCTHCZDX-MRXNPFEDSA-N 387.501 3.853 0 40 GHAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1Br 7402550 WLGFDUWIYIVLSM-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(I)cc1 16125301 XLIVYNDKNZXBFC-ZHACJKMWSA-N 385.226 3.704 0 40 GHAB COc1ccc2cc(C(=O)N[C@@H](C)c3cccc(N4CCOC4=O)c3)[nH]c2c1 68664093 HHVGJHFJOQHWPX-ZDUSSCGKSA-N 379.416 3.624 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CCN1C(=O)CSc2ccccc21 8060608 LALTTYJSCGLWPD-UHFFFAOYSA-N 376.865 3.816 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccccc2c1=O 8195337 CPYBICJXVJMDEF-UHFFFAOYSA-N 383.473 3.546 0 40 GHAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 113953905 DMJOFJVSNCWRIX-QGZVFWFLSA-N 396.487 3.688 0 40 GHAB Cc1ccc(C(=O)N2CCCC[C@H]2C2OCCO2)cc1NC(=O)c1ccccc1 69216020 AZVBVKIEFHPOSX-FQEVSTJZSA-N 394.471 3.615 0 40 GHAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)cc1 8283753 GXOHGUIVKWBRHZ-HNNXBMFYSA-N 382.489 3.960 0 40 GHAB Nc1nn(CC(=O)c2ccc(F)c(Cl)c2)c(=S)n1Nc1cccs1 36625646 WCUHZNGYHBZITB-UHFFFAOYSA-N 383.861 3.608 0 40 GHAB CCOc1ccc2nc(SCC(=O)Nc3ccsc3C(=O)OC)[nH]c2c1 9966888 KZWCUTYGHKBMPV-UHFFFAOYSA-N 391.474 3.541 0 40 GHAB Cc1ccc([C@H]2CN(C(=O)c3cccc(OCc4cscn4)c3)CCO2)o1 89652682 DFYWPSKTIJSWKA-LJQANCHMSA-N 384.457 3.837 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccco2)cc1 89969529 ZVDWHGLNSSCYDH-UHFFFAOYSA-N 398.484 3.767 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1C 408584325 ODRZDDOYUWCLKS-UHFFFAOYSA-N 375.494 3.882 0 40 GHAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)[C@H](C)Cn2ccnc2C)cc1 72337842 XPONAEOUUQYWOU-YBVILWJFSA-N 381.520 3.925 0 40 GHAB COc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20274081 VIAYFKYBZJOBIZ-UHFFFAOYSA-N 382.441 3.574 0 40 GHAB COc1ccccc1OCC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635443 GVQOUDFLAGCAFV-GOSISDBHSA-N 395.377 3.693 0 40 GHAB COc1cc(Oc2ccccc2C(=S)N2CCOCC2)cc(OC)c1OC 408724219 IDMCCMKFCZHMKF-UHFFFAOYSA-N 389.473 3.512 0 40 GHAB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 39486731 JMQSXWMMGNEUFI-LGMDPLHJSA-N 376.412 3.652 0 40 GHAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccccc2F)n1 35424873 BHCSJLIIHIIAHD-SFHVURJKSA-N 397.454 3.666 0 40 GHAB biogenic,in-vitro O=C(c1cscn1)N1CCC(c2cncc(Oc3cccc(F)c3)n2)CC1 72362654 MFNAMRDJDREESE-UHFFFAOYSA-N 384.436 3.884 0 40 GHAB CC(C)(C)c1cc(C(=O)N2CCC[C@H]([C@H]3CC(=O)c4ccccc4O3)C2)[nH]n1 72396475 XESZOUXLLGEZCW-IFXJQAMLSA-N 381.476 3.593 0 40 GHAB COc1ccc(CN(C)C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 40140659 CBZBNMOUGODGJY-UHFFFAOYSA-N 397.425 3.920 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 224519001 SXDOOAJIIXGZEJ-NRFANRHFSA-N 382.504 3.571 0 40 GHAB C[C@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 223862230 VJKXRDHMBWBMOB-JKSUJKDBSA-N 397.496 3.888 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccccc1C 225412055 XXYJJZWKWIIQQU-INIZCTEOSA-N 388.508 3.531 0 40 GHAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 223706175 KXZOPNTVWQGLHU-UXHICEINSA-N 398.532 3.534 0 40 GHAB CCC[C@H](C)NC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccccc2)cc1 224448875 QUDJILZCAUTDOX-KRWDZBQOSA-N 388.533 3.816 0 40 GHAB CCC(CC)(CNC(=O)c1cccnc1SCc1cc(C)on1)N(C)C 48217705 WDXKKNRGGWYGOR-UHFFFAOYSA-N 376.526 3.521 0 40 GHAB Cc1ccc([C@H]2[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 135682288 YZTAPIFIOPKYTP-GBESFXJTSA-N 384.863 3.903 0 40 GHAB COC(=O)c1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)ccc1C 225676318 UZBKQPRYHJCFRK-UHFFFAOYSA-N 395.480 3.850 0 40 GHAB CN(C)c1ncc(-c2cc(C(=O)Nc3ccc(F)cc3)n(CC3CC3)c2)cn1 96037633 HNBKLFKGKQNYLF-UHFFFAOYSA-N 379.439 3.813 0 40 GHAB Cc1ccc([C@H](NC(=O)CN2CCC3(CCCN3C)CC2)c2cccs2)cc1 95459820 XCDXHHXVIUYZQD-QFIPXVFZSA-N 397.588 3.822 0 40 GHAB Cc1nc2ccccc2n1C1CCN(C(=O)NCc2cnc(C3CC3)o2)CC1 581709679 VDAARZWCAGWTRH-UHFFFAOYSA-N 379.464 3.757 0 40 GHAB CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCN(Cc3ccccc3C)C2)nc1C 257285090 PFPNZPNCVHYGJJ-OAQYLSRUSA-N 394.563 3.802 0 40 GHAB C[C@@]1(c2cc[nH]n2)CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCO1 257301720 RZPYMSWDMYDJSL-QFIPXVFZSA-N 377.444 3.523 0 40 GHAB O=C(COc1cccnc1)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257233475 GPKULXLETUUTEZ-LJQANCHMSA-N 381.407 3.542 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 260453032 CYLUEZGCKCGGNH-MSOLQXFVSA-N 388.533 3.644 0 40 GHAB COc1cc(OC)c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC 260756015 CWWOLTCZDYNEBW-QQGDVQBRSA-N 385.489 3.697 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1coc(NC(=O)c2ccsc2)n1 90582912 IAVPCQXVTDFPJC-UHFFFAOYSA-N 377.809 3.903 0 40 GHAB C[C@@](CO)(NC(=O)[C@H]1CCN(c2ccccc2)C1)c1cccc(C(F)(F)F)c1 616812801 MLOCDGMPWHBRCL-YWZLYKJASA-N 392.421 3.556 0 40 GHAB C[C@@H](c1cn(-c2ccccc2)nn1)N1CCN(Cc2ccccc2)C(C)(C)C1 1167346437 AMIKAJHUEQTFQK-IBGZPJMESA-N 375.520 3.925 0 40 GHAB CSc1ccc(Oc2cc(-c3ccc(CN4CC(O)C4)cc3)ncn2)cc1 1243637051 LGSDWNRINFGJJX-UHFFFAOYSA-N 379.485 3.834 0 40 GHAB CCN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)Cc1ccsc1)c1ccccc1O2 72327862 PJSWSQNYJOBTAS-XMSQKQJNSA-N 398.528 3.702 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)NCCCCN2CCC[C@@H](C)C2)cc1 61354106 PWGJBUWGFREVIM-LVMGUKCRSA-N 387.524 3.897 0 40 GHAB CCc1nnsc1C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615155156 ICWBDPKPJNCEAQ-IRXDYDNUSA-N 388.512 3.902 0 40 GHAB COc1cc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)cc(OC)c1OC 5169521 RHJMWFUAGIUDFB-UHFFFAOYSA-N 395.824 3.730 0 40 GHAB CC(C)(C)c1cc(N)c(O)c(C(=O)Nc2ccc(N)cc2Br)c1 5726700 GNECTXBVJYRPMJ-UHFFFAOYSA-N 378.270 3.869 0 40 GHAB COc1cccc(-c2[nH]ncc2CN2CCC(O)(c3ccccc3C)CC2)c1 12116819 KYEBLMKDZXHTKI-UHFFFAOYSA-N 377.488 3.877 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C[C@@H]4CCOC4)C3)cc2n1 12220433 ILWKHFNFALMWTL-KBPBESRZSA-N 382.430 3.697 0 40 GHAB Cc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(F)cc4)no3)N(C)C2)cc1 12529987 TVKGPMPGLZLOCR-ROUUACIJSA-N 395.438 3.751 0 40 GHAB biogenic,in-vitro Cc1ccccc1OC[C@H](O)Cn1cnc2scc(-c3ccccc3)c2c1=O 12926501 KXAHSUDEFGYRFW-QGZVFWFLSA-N 392.480 3.873 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)ccc2[nH]1 19083432 QAFRQESUEZGQNF-UHFFFAOYSA-N 390.443 3.766 0 40 GHAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(Cc2ccc(C(C)C)cc2)C3)C1 19453288 CDKKCBFPBHVYRG-NRFANRHFSA-N 392.547 3.884 0 40 GHAB CN1CCN(C(=O)c2ccccn2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19589430 VANCSVXWHLBFES-JOCHJYFZSA-N 399.494 3.522 0 40 GHAB CCCCC[C@H](O)CC[C@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O 202967225 PAJMKGZZBBTTOY-MFPFFRNPSA-N 390.520 3.583 0 40 GHAB CC(=O)O[C@@H]1C=C(C(=O)O)[C@]2(CO)CC[C@H](C)[C@@](C)(CCc3ccoc3)[C@@H]2C1 106938961 NRNSOEIINXSQRA-UXGNKHCNSA-N 390.476 3.590 0 40 GHAB biogenic,in-vitro Cc1ccc(Cl)c(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1Cl 3595900 QEMOAFORLOKXGF-BBATYDOGSA-N 398.290 3.741 0 40 GHAB CCC(CC)NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C 5036606 SVYNUCRBFUGJJL-UHFFFAOYSA-N 375.538 3.840 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccc3c(c2)CCC3)c1 9594159 MDMVLUBJSBWNNE-NRFANRHFSA-N 380.488 3.968 0 40 GHAB FC(F)c1cc(N2CCN(c3cnc4ccccc4n3)CC2)nc(C2CC2)n1 1888913833 QFVUBHDLOOLMSB-UHFFFAOYSA-N 382.418 3.561 0 40 GHAB COc1ccccc1C(=O)N1CC[C@H](COc2cccc(C(F)(F)F)n2)C1 1889179257 ZZTIDRRCRFRDEH-ZDUSSCGKSA-N 380.366 3.650 0 40 GHAB COc1ccc(C(=O)COC(=O)c2cccnc2Oc2ccccc2)c(OC)c1 23219589 DOSDIJJFQNMOKS-UHFFFAOYSA-N 393.395 3.931 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(c2ccccc2Cl)CC1 4062345 MMLPHNRWDBDVGW-UHFFFAOYSA-N 381.863 3.661 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc2c(Cl)cccc2s1 4496259 FCGNJLWKIHSIDL-UHFFFAOYSA-N 398.868 3.891 0 40 GHAB COc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)c(OC)c1 1775975782 NVEOPFKSXBJXPX-KBPBESRZSA-N 390.871 3.954 0 40 GHAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccoc1COc1ccccc1 9216014 VHVJRZAUIDDCPE-UHFFFAOYSA-N 388.423 3.972 0 40 GHAB C[C@H]1CCCN(c2ncc(CNCC3(c4cccc(F)c4)CCOCC3)cn2)C1 19715677 WZUOPWCXMKCAKE-SFHVURJKSA-N 398.526 3.690 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3c(c2)OCC(=O)N3)cc1 24393207 KMIXNQWHJOBLPZ-IBGZPJMESA-N 380.444 3.784 0 40 GHAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1 10428947 QXLQYYZGVOZPSY-JOCHJYFZSA-N 379.504 3.609 0 40 GHAB COc1cccc2c1N(C(=O)CCc1nc(Cc3ccccc3)no1)CCC2 40133156 IEGHUAITZBCKHX-UHFFFAOYSA-N 377.444 3.581 0 40 GHAB CCCNc1nnc(SCC(=O)c2ccc3c(c2)CCCC(=O)N3)s1 32329073 XVIXDEXPOQGTIH-UHFFFAOYSA-N 376.507 3.610 0 40 GHAB CCOc1ncccc1CNC(=O)N[C@H](C)c1cccc(Br)c1 32803360 LSUUZXLSXMVAOQ-GFCCVEGCSA-N 378.270 3.803 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCCC3=CCCCC3)n2)cc1C 41254947 RZUHXXNYVKSHKR-UHFFFAOYSA-N 379.504 3.924 0 40 GHAB COc1ccc([C@H](CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)NC(C)=O)cc1 32901532 QFQHQOILKSPPAM-LEWJYISDSA-N 384.451 3.765 0 40 GHAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 33226860 GSYKCSMTLAGWJR-FXAWDEMLSA-N 392.499 3.820 0 40 GHAB CN1CCN(c2ccc(NC(=O)c3occc3COc3ccccc3)cc2)CC1 22279032 HVHXTLMNSPPBRB-UHFFFAOYSA-N 391.471 3.863 0 40 GHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CN1CC=C(c2ccccc2)CC1 33530870 YEEZOWFXPOURKR-DEOSSOPVSA-N 387.483 3.517 0 40 GHAB CCOC(=O)c1sc2nc(C)nc(NCc3ccc4c(c3)OCO4)c2c1C 752832 ACSAWLMKXBTHDE-UHFFFAOYSA-N 385.445 3.826 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1Cc2ccccc2C1=O 778707 GQDLSUKOACRNBG-UHFFFAOYSA-N 395.846 3.689 0 40 GHAB CCn1cc(S(=O)(=O)c2ccc(C)cc2)n(Cc2ccc(Cl)cc2)c1=O 1396034 FTYXOSOJHNGLQA-UHFFFAOYSA-N 390.892 3.513 0 40 GHAB O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)Nc1ccccc1Cl 1784869 ZUECQQMPVDSQKE-UHFFFAOYSA-N 396.859 3.812 0 40 GHAB CCCc1nc2oc3c(N4CCN(CC)CC4)ncnc3c2c2c1CCCC2 2340025 WVBIAKWYLIYVMA-UHFFFAOYSA-N 379.508 3.744 0 40 GHAB COc1ccccc1/C=C/C=c1\sc2nc(-c3cccc(Cl)c3)nn2c1=O 2702371 VSVQINRSMLVCBJ-UWNNVHOVSA-N 395.871 3.693 0 40 GHAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccc(Br)cc1 3343515 NLQQSMJZWNRHSO-UHFFFAOYSA-N 375.174 3.618 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(F)c(Cl)c1 3445391 IKUGDYRJVPEDDC-UHFFFAOYSA-N 377.847 3.605 0 40 GHAB CCCCc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)cc1 4046917 WIULVRVOLUTODV-SIKLNZKXSA-N 392.455 3.828 0 40 GHAB biogenic CCCOc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2)cc1 4525217 HWOMJJQWLXPIGL-UHFFFAOYSA-N 383.444 3.929 0 40 GHAB Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)cc1C 4592778 GZGMWAVBOPDFJB-JWWGGVBKSA-N 387.435 3.834 0 40 GHAB O=C(NC1CCCCC1)[C@@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O 4680034 BBDDVUYKTZDDEI-GOSISDBHSA-N 390.842 3.514 0 40 GHAB COCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(C)cc12 4895214 PYOWCDMHEGAFHK-UHFFFAOYSA-N 385.464 3.599 0 40 GHAB O=C1CCc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc3c2N1CC3 5153600 RNHMMLQDEVAJMO-UHFFFAOYSA-N 397.283 3.630 0 40 GHAB Cc1ccc(-c2ccc3nnc(SCC(=O)Nc4ccccc4F)n3n2)cc1 5167830 OEEYZJPWUKMMFT-UHFFFAOYSA-N 393.447 3.970 0 40 GHAB CC(C)OC(=O)c1cccc(Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 5183143 VRWDWNGFHVAEDQ-CYBMUJFWSA-N 397.500 3.591 0 40 GHAB CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-n2cccc2)cc1 5242355 LTWBYDQIESONFB-UHFFFAOYSA-N 393.472 3.944 0 40 GHAB CCCOC(=O)c1ccc(Oc2cc(-n3ncc(C(C)=O)c3C)nc(C)n2)cc1 5389387 UQCNTTIRUGXIJA-UHFFFAOYSA-N 394.431 3.841 0 40 GHAB CC(=O)c1cccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 5677985 HDXYSTPTHCRJSH-UHFFFAOYSA-N 397.434 3.900 0 40 GHAB COC(=O)c1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc(C(=O)OC)c1 6545342 XWXHWRUZKCXXQW-UHFFFAOYSA-N 383.183 3.786 0 40 GHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1cccc2cccnc12 6652012 MMFBEWQZYMVZEV-SFHVURJKSA-N 383.398 3.906 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1cccc(C)c1C)S2 6811801 SVZWYWZYWWNJKY-RBUKOAKNSA-N 393.516 3.855 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccccc1C)S2 6811870 UQVDZNDXNYSEFJ-MOPGFXCFSA-N 393.516 3.855 0 40 GHAB CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2C[C@H]1C 6928393 WMSSZPCEEIAKMY-GFCCVEGCSA-N 378.881 3.747 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 6944820 FAIPPUGOJSJWKJ-GOSISDBHSA-N 388.533 3.804 0 40 GHAB CCOC(=O)c1cccc(NC(=O)Cn2nc(-c3ccc(C)cc3)oc2=S)c1 6957454 CZRQTQOHLHKEIC-UHFFFAOYSA-N 397.456 3.996 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(-n2ccnc2)cc1 7050196 GGHSJOHATDJJRN-CYBMUJFWSA-N 395.406 3.931 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)c2cccc(N3CCCC3=O)c2)o1 7166928 GPTVDCRJESFLTF-UHFFFAOYSA-N 383.429 3.740 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(O)c3ccccc3c2O)cc1F 7259690 ZKEKVYJJSZQUMS-GFCCVEGCSA-N 383.375 3.883 0 40 GHAB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)N3c4ccccc4C[C@@H]3C)c(=O)c12 7424006 MZHSJEDWMVRRSH-AWEZNQCLSA-N 384.439 3.614 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c1C 7798337 IJTGNVVNXYCLGD-UHFFFAOYSA-N 395.488 3.798 0 40 GHAB O=C(O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 7885044 GUDPDYAEGZROAD-FQEVSTJZSA-N 388.379 3.885 0 40 GHAB COc1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7929493 RJHUGANFCRLBJX-LLVKDONJSA-N 380.227 3.961 0 40 GHAB O=C(CNc1ccccc1Oc1ccccc1)NC(=O)NCc1ccccc1 7975352 KMVMTZRUIBJFDQ-UHFFFAOYSA-N 375.428 3.917 0 40 GHAB COC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1Cc2ccc(Cl)cc2C(=O)O1 8020730 UBQHILRTWGNBHQ-HNNXBMFYSA-N 394.210 3.500 0 40 GHAB COCCN1C(=O)S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C1=O 8104483 SSXTZLZNOKXDHJ-XDJHFCHBSA-N 399.468 3.827 0 40 GHAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 8415247 UOWBYMOODYOPBP-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB CC(=O)Nc1ccc(C(=O)CSc2nc(COc3ccc(C)cc3)n[nH]2)cc1 8550298 PTBYZQWBKPRSPQ-UHFFFAOYSA-N 396.472 3.626 0 40 GHAB Cc1cccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4C)C3)s2)c1 9197961 GVJKXNPKNJTVAP-INIZCTEOSA-N 392.484 3.928 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cc(C)ccc2C)cc1 9237392 QHOQDPAKSSUXJK-MOPGFXCFSA-N 393.516 3.910 0 40 GHAB O=C(c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1)N1CCCC1 9694948 QEMIAEPLIJLMMN-UHFFFAOYSA-N 378.881 3.518 0 40 GHAB Cc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3)c2=O)cc1Cl 9761429 SNMPKQQALFRDLV-UHFFFAOYSA-N 385.876 3.925 0 40 GHAB CCC[C@@H](C)NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10434258 DJUJSTIZIRPVNG-OAHLLOKOSA-N 392.496 3.710 0 40 GHAB Cc1cccc(N2C[C@H](C(=O)NCc3ccc(OC(F)F)cc3)CC2=O)c1C 11508320 CYVZUAIKTJGNDR-MRXNPFEDSA-N 388.414 3.574 0 40 GHAB Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2ccc(F)c(Cl)c2)c1 11689877 VALBDDQMIUVVMP-UHFFFAOYSA-N 391.859 3.802 0 40 GHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)CCC4CCCC4)nn3cn2)cc1 12085156 MZENTZUFYKMJAV-HNNXBMFYSA-N 393.491 3.948 0 40 GHAB CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)C1(c2ccc(Cl)cc2)CC1 12145072 VXXYRHQZUMVLBY-LJQANCHMSA-N 399.922 3.647 0 40 GHAB Cc1c(NC(=O)c2ncoc2-c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 12145511 VOLRVIBYYKQMTN-UHFFFAOYSA-N 392.390 3.531 0 40 GHAB C[C@@H]1C(c2ccc(F)cc2)=NO[C@H]1C(=O)N[C@@H](c1ccccc1)c1cccnc1 12148266 IYYDYLUMERKHEI-KBJGYGKASA-N 389.430 3.866 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1 12567849 ASVSYFWMXDWNNW-UHFFFAOYSA-N 378.900 3.786 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CSc3nccn3-c3ccccc3)ccc21 12753770 HBQLPEOTCZDUQN-UHFFFAOYSA-N 392.484 3.512 0 40 GHAB CC(C)CC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12924225 FSQUJDMPTLTYME-GOSISDBHSA-N 394.581 3.735 0 40 GHAB CCN(CC)[C@H](CNC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 12940783 YLWCUAUEHUXCNA-JOCHJYFZSA-N 393.531 3.555 0 40 GHAB CCC1(C)CC(=O)N(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C(=O)C1 12997243 LKFRDPTXJBZVQZ-IBGZPJMESA-N 381.472 3.659 0 40 GHAB CC[C@@H](NC(=O)Cc1nnc(S)n1Cc1ccccc1)c1ccc(C)cc1 13002472 XUDISGCJGCXDOL-GOSISDBHSA-N 380.517 3.734 0 40 GHAB CN1CCn2c(nc3cc(NC(=O)COc4ccccc4C(C)(C)C)ccc32)C1 13722635 GRGMHCDCPSCHRK-UHFFFAOYSA-N 392.503 3.797 0 40 GHAB CCOC(=O)c1sc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)nc1C 14245026 MABWRIXXBAIYDV-INIZCTEOSA-N 399.472 3.531 0 40 GHAB CCOc1ccc2oc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c(C)c2c1 14900300 VBQKKDBNXPGIRN-UHFFFAOYSA-N 399.491 3.504 0 40 GHAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc21 15867513 WPEQFWBZBQIWIA-UHFFFAOYSA-N 377.853 3.539 0 40 GHAB C[C@H](NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1)[C@@H]1CCCO1 17077651 PPELJGSARQLMGI-QXEWZRGKSA-N 379.810 3.677 0 40 GHAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C3CC3)C1)N2 19083930 BJJNAWGSKAOXRD-QLFBSQMISA-N 380.483 3.820 0 40 GHAB COc1ccc(OC)c([C@@H](O)CN2CCc3onc(-c4cccc(F)c4)c3C2)c1 19551190 CUFFSWODXSHFQG-IBGZPJMESA-N 398.434 3.590 0 40 GHAB COc1ccc(C(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c(OC)c1 19551954 SWTCRLUMVYVPQN-NRFANRHFSA-N 396.418 3.605 0 40 GHAB Cn1cnc2ccc(NC(=O)CC3CCN(CCc4ccccc4)CC3)cc21 19748332 LOIHWXYJZTXJOY-UHFFFAOYSA-N 376.504 3.857 0 40 GHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3cccc(Cl)c3)cc2C[C@H]1C 20449033 YPUZBCPOTFSFCN-GFCCVEGCSA-N 378.881 3.693 0 40 GHAB CN(C)c1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 21927793 FLNFKFGQUCFRMH-UHFFFAOYSA-N 391.437 3.729 0 40 GHAB COc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1Cc1ccccc1 22280999 OGPKNVFCIKOJEQ-UHFFFAOYSA-N 385.427 3.514 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 22517487 SBQZDBXBSGJZRT-FQEVSTJZSA-N 388.895 3.855 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)c3nc4ccccc4c(=O)[nH]3)c12 23043732 CNUQSMRBRDBEEO-LLVKDONJSA-N 390.399 3.563 0 40 GHAB CCOc1ccc(OC(C)(C)C(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 23184335 GTFJIVKTVSJEFA-SFHVURJKSA-N 385.460 3.541 0 40 GHAB C/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC(C)C 24838609 FZSZTYHWPXTBNZ-GOKBKIRCSA-N 380.510 3.575 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccnc1SCC(F)(F)F 25059508 DZGAAKPVNLECRU-UHFFFAOYSA-N 397.422 3.825 0 40 GHAB O=C(CN1CCCc2cc(F)c(F)cc21)Nc1ccc(Br)cn1 26344712 ZIIAINHYFIFRPN-UHFFFAOYSA-N 382.208 3.514 0 40 GHAB CCOc1cc(CN(C)CCC(=O)NC2CCCCC2)ccc1OC(F)F 26455354 YKBPWCMPTRQOFY-UHFFFAOYSA-N 384.467 3.958 0 40 GHAB CCC[C@H](NC(=O)[C@H](C)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1 28888006 MCCHXEPYGWEBHG-MPGHIAIKSA-N 381.476 3.864 0 40 GHAB C[C@H](C(=O)Nc1cccc2ncccc12)N(C)CC(=O)Nc1ccccc1Cl 31000729 OKBOBDVZFUDZLH-CQSZACIVSA-N 396.878 3.786 0 40 GHAB CCCc1ccc(N2C[C@H](C(=O)N(Cc3cccnc3)C3CC3)CC2=O)cc1 31900021 VXAWKFDFMSTMRS-LJQANCHMSA-N 377.488 3.578 0 40 GHAB COC(=O)CCCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 32731908 QZFBFZXRSLTIPQ-UHFFFAOYSA-N 377.525 3.989 0 40 GHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(-n2cccn2)nc1 32802661 ZTNLIQXNJOBYQR-UHFFFAOYSA-N 390.274 3.916 0 40 GHAB Cc1nn(C/C=C/c2ccccc2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 32830425 XSTYTKXXNCMUEM-YRNVUSSQSA-N 385.489 3.627 0 40 GHAB OC1=Nc2nc(N3CCOCC3)sc2[C@H](c2ccc(Br)cc2)C1 36357375 UKMQJSPFQKSVQB-LBPRGKRZSA-N 394.294 3.866 0 40 GHAB Cc1ccc(-n2ncc3c(C(C)C)nnc(SCC(=O)N4CCCC4)c32)cc1 38488218 FCTPDNIFJCOURG-UHFFFAOYSA-N 395.532 3.962 0 40 GHAB COc1ccccc1OCC(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 40107103 OAFHPRJXJFRPLN-GOSISDBHSA-N 382.504 3.622 0 40 GHAB COCc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1cccc(Cl)c1 40385222 LTCHWHPIDNACIS-UHFFFAOYSA-N 399.882 3.526 0 40 GHAB CCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(OC)cc2)cc1 41058397 DVMKWSZPZMUQRP-HXUWFJFHSA-N 384.476 3.877 0 40 GHAB Cc1cccc(OCC(=O)Nc2nn3c(-c4cccc(Cl)c4)nnc3s2)c1 41076556 NZQKJPPPFBHHAG-UHFFFAOYSA-N 399.863 3.832 0 40 GHAB CC(C)c1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(O)c1 48400744 PKKPDWLYIMTUTI-UHFFFAOYSA-N 379.460 3.636 0 40 GHAB COc1ccc(-c2noc(-c3ccc(=O)n(Cc4cc(F)cc(F)c4)c3)n2)cc1 49007398 MGLIWVLEJQGOQN-UHFFFAOYSA-N 395.365 3.900 0 40 GHAB O=C(Nc1nncs1)c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1 49548667 ITRAXOXXBPTWNT-UHFFFAOYSA-N 388.815 3.559 0 40 GHAB COc1ccc(I)c(NC(=O)c2ccc(C)c(OC)c2)c1 50491857 KBZBZELRAFQPJZ-UHFFFAOYSA-N 397.212 3.869 0 40 GHAB COc1ccc(-c2nc(CN3CCN(c4ccccc4)C(=O)C3)c(C)o2)cc1C 55242280 WJVJHDHSATZSLX-UHFFFAOYSA-N 391.471 3.816 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)cc2NC1=O 57058322 ORJUPNDCZPPNLF-KBPBESRZSA-N 399.491 3.515 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)c1C 58245240 DNFBNBPWEWBQPS-UHFFFAOYSA-N 385.489 3.509 0 40 GHAB COc1cc(C(=O)Nc2ccnn2Cc2cccs2)cc(Cl)c1OC 58324528 WUOYRANRWDODNK-UHFFFAOYSA-N 377.853 3.916 0 40 GHAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc(C)c1Cl 60807235 WSVIWYOMKQJGMD-AWEZNQCLSA-N 375.852 3.984 0 40 GHAB COc1ccccc1CCC(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 66803256 MBBMSGVUAZIXTQ-UHFFFAOYSA-N 376.460 3.861 0 40 GHAB NC(=O)NCc1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1 67239656 PKWRUHATCQXMOO-FQEVSTJZSA-N 375.428 3.614 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2ccnc(-c3cccnc3)n2)C1 72335823 JWFJOTPQNLEOSL-SFHVURJKSA-N 376.435 3.626 0 40 GHAB CCc1nc2cccnc2n1[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 72366020 ILLJOEFYWHZHTG-OAHLLOKOSA-N 377.423 3.701 0 40 GHAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)NCCOc3ccccc3)cc21 77200750 RSRIUXROUYZRKM-UHFFFAOYSA-N 381.476 3.822 0 40 GHAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(=O)O)cc1Cl 78902609 DBJNSXYNUWTYEZ-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB COC(=O)c1[nH]/c(=N/C(=O)CCc2cn(C(C)C)c3ccccc23)sc1C 79490892 VYAKVJMEGBZCQW-UHFFFAOYSA-N 385.489 3.767 0 40 GHAB CCc1c(C(=O)Nc2cccc(-n3cnnc3C)c2)cnn1-c1ccc(C)cc1 89280440 OZJNKRKXNFELJR-UHFFFAOYSA-N 386.459 3.885 0 40 GHAB CCc1cccc(CC)c1NS(=O)(=O)c1cccc2c(C(=O)OC)nccc12 95452048 IGTOAJITEICTNS-UHFFFAOYSA-N 398.484 3.947 0 40 GHAB CC(C)n1cc(CCC(=O)NCCCc2nnc3ccccn23)c2ccccc21 95473199 FZXCQGYVZPYCIL-UHFFFAOYSA-N 389.503 3.947 0 40 GHAB COc1ccc2[nH]c(=O)c([C@@H]3SCC(O)=Nc4c3cnn4C(C)C)cc2c1 95475572 FBNWBTVPYSJPBY-KRWDZBQOSA-N 384.461 3.738 0 40 GHAB CC(C)c1nccn1CCC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 95993285 FBIOUCYKUOJTCX-SFHVURJKSA-N 398.555 3.969 0 40 GHAB Cc1ccc(OC2CCN(C(=O)NCc3cccc4ccccc34)CC2)nn1 96119451 DOEGGBBBINTKRO-UHFFFAOYSA-N 376.460 3.691 0 40 GHAB Cc1ccccc1-c1nc(C)c(CNC(=O)[C@H]2COc3ccccc3O2)s1 96342867 RIXJKVALYYLCOQ-GOSISDBHSA-N 380.469 3.883 0 40 GHAB O=C1CC[C@H](NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CN1 102643104 BFKOWENLTUOHMF-AWEZNQCLSA-N 398.459 3.873 0 40 GHAB CCCCOc1cccc(CN2C(=O)[C@@H](NC(C)=O)c3cc(C)ccc32)c1OC 102896395 ZWXFKOVLDHNMRX-NRFANRHFSA-N 396.487 3.907 0 40 GHAB CCc1nccn1[C@@H]1CCCN(C(=O)NCC2(c3ccccc3)CCOCC2)C1 152311279 DODDKMWCXRITSM-HXUWFJFHSA-N 396.535 3.540 0 40 GHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 219319538 HEEHMSRVRBKWIW-LJQANCHMSA-N 395.459 3.870 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1C 222562479 YXGSHFIYHZYIOH-QGZVFWFLSA-N 386.517 3.724 0 40 GHAB CCOC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC)cc1 223004650 SEVZBQXEGVXRLS-UHFFFAOYSA-N 397.880 3.645 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 223238579 OSUGJOXFZWZESU-SFHVURJKSA-N 376.859 3.575 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 223426526 IMSAFRSOUDKVAE-IBGZPJMESA-N 396.531 3.961 0 40 GHAB COc1ccc(-c2nnc(NC(=O)CCc3ccc4c(c3)OCO4)s2)cc1 223731774 NKGAIYOHHMPKDT-UHFFFAOYSA-N 383.429 3.514 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 223925058 VABDPKWLAXJZRM-KRWDZBQOSA-N 380.488 3.902 0 40 GHAB CN(c1ccc(Cl)c(C(=O)NC2CCCC2)c1)S(=O)(=O)c1ccccc1 224328188 RCQNXMCGOKLWPQ-UHFFFAOYSA-N 392.908 3.838 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 225093117 FSXFQVFCLCDEJK-RBUKOAKNSA-N 382.504 3.706 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 225555141 ZCCZMPTZMGPYQU-INIZCTEOSA-N 388.895 3.661 0 40 GHAB CC[C@@H](NC(=S)Nc1cccc(C(=O)OC)c1)c1ccc(OC)c(OC)c1 225720064 FFYZZPAAJMUKQD-MRXNPFEDSA-N 388.489 3.928 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225758139 CJZWPBMPJVWOIM-OAHLLOKOSA-N 396.516 3.691 0 40 GHAB CN1CCC(C(=O)N2CCC(C)(c3ncc(Cc4ccc(F)cc4)o3)CC2)CC1 257220378 DKPGFJUHZOHVMJ-UHFFFAOYSA-N 399.510 3.626 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)c(Cl)c2)cc1 408587987 VOTKZPIVOQIZJY-UHFFFAOYSA-N 383.853 3.716 0 40 GHAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc3nc(O)[nH]c3c2)cc1 408627102 KEGJKUJDSRDNAC-BJMVGYQFSA-N 380.473 3.918 0 40 GHAB COc1ccc(CCCc2nnc(SCC(=O)NC3CCCCC3)o2)cc1 409018219 TUNBRZGNCVKPQB-UHFFFAOYSA-N 389.521 3.795 0 40 GHAB O=C(C1CCC(OC[C@H]2CCCO2)CC1)N1CC[C@]2(CCc3ccccc3O2)C1 552776233 ZRMPJUWJFYVKQN-XLYGXDRMSA-N 399.531 3.737 0 40 GHAB O=C(Nc1ccnc(-c2ccccc2)c1)N1CCC[C@@H](N2CCCC2=O)CC1 562789894 IELPYDAKVYTNTK-LJQANCHMSA-N 378.476 3.757 0 40 GHAB O=C(c1cc2c(s1)CCC2)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 575403320 HSQAZNIHERLVCB-MRXNPFEDSA-N 386.542 3.549 0 40 GHAB O=C(O)c1ccccc1CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 577499634 DZAANRHTSBMRGN-MRXNPFEDSA-N 381.407 3.954 0 40 GHAB Cc1ccc(C)c(OC2CCN(C(=O)CCc3nnc(C(F)F)o3)CC2)c1 630816380 XCFKHAZGUZAQHH-UHFFFAOYSA-N 379.407 3.627 0 40 GHAB Oc1nc(CN2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)nc2ccccc12 639755324 GVEJMTQQKDVUQU-UHFFFAOYSA-N 386.459 3.500 0 40 GHAB O=C1N(c2ccc(OC(F)F)c(Cc3ccccc3)c2)C(=O)C23CC(CN12)C3 656570178 QUJRTHVHCCNMTA-UHFFFAOYSA-N 384.382 3.810 0 40 GHAB Cc1cccc(CC(=O)N2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)c1 1776008597 JBOXVWNJQMTOOO-IRXDYDNUSA-N 388.309 3.891 0 40 GHAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2cnc3ccccc3n2)CC1 1888976958 SCBKYSWNBYISHA-UHFFFAOYSA-N 385.471 3.565 0 40 GHAB COCCOC(=O)N1CCC([C@@H]2CCCCN2Cc2cccc(OC)c2)CC1 2056225305 KAUBZSGGUQDFBL-NRFANRHFSA-N 390.524 3.545 0 40 GHAB COc1cccc(C(=O)CSc2nnc(-c3ccco3)n2C[C@@H]2CCCO2)c1 1364301 YPLCYYCRJXMWFG-INIZCTEOSA-N 399.472 3.701 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)C(F)(F)F)cc2c1 1366916 MRFLMZGMZMVECJ-UHFFFAOYSA-N 394.349 3.611 0 40 GHAB Cc1cc2cc(CNS(=O)(=O)c3ccc(Br)cc3)ccc2[nH]1 2499522 ZIEVIFYFRMHIQV-UHFFFAOYSA-N 379.279 3.717 0 40 GHAB O=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2ccc(F)cc2)cs1 2723365 CTXHNVPVXIGCIN-UHFFFAOYSA-N 393.509 3.633 0 40 GHAB Cc1cccc(C)c1N1C(=O)C[C@H](N2CCC(Cc3ccccc3)CC2)C1=O 3357561 BFOKMCCFJVOADG-NRFANRHFSA-N 376.500 3.890 0 40 GHAB CCc1ccc(-n2c(SCC(=O)NCC(C)C)nc3ccccc3c2=O)cc1 3487691 LFTWRNHVNCPESB-UHFFFAOYSA-N 395.528 3.812 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1nccs1 3608684 IGSLGZTZVUAWFL-UHFFFAOYSA-N 397.485 3.774 0 40 GHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)cc1 4091243 DQKNHGZOGBLJGR-AWNIVKPZSA-N 381.501 3.822 0 40 GHAB COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)O)cc2)cc1 4547383 CBJHTJVENVOGQK-UHFFFAOYSA-N 390.395 3.898 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)CCCC(=O)O)cc1 4593114 KGJJBOWHAIMDCS-UHFFFAOYSA-N 390.823 3.794 0 40 GHAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1cccc(NC(C)=O)c1 4731581 LJCWYGZHPRPCRF-UHFFFAOYSA-N 375.812 3.518 0 40 GHAB CC(C)(C)NC(=O)Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2)s1 4851536 SMXQFSJFDWEIMB-UHFFFAOYSA-N 399.929 3.842 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)CCc3ccccc3)n2)cc1 4933282 JSLSRMFVFHVTQL-MRXNPFEDSA-N 379.460 3.815 0 40 GHAB O=C(CSc1nnc2ccc(-c3ccc(F)cc3)nn12)Nc1ccc(F)cc1 5168036 DXFJDCKFGIHVGJ-UHFFFAOYSA-N 397.410 3.800 0 40 GHAB CN(C)C(=O)[C@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 5561283 LDJOUTCSICSQDP-LJQANCHMSA-N 392.411 3.518 0 40 GHAB COC(=O)c1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 5584353 BULSDWKFLYDUAH-UHFFFAOYSA-N 389.498 3.969 0 40 GHAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1C[C@@H]1CCCO1 6100159 JXIASHPBJXEHFX-INIZCTEOSA-N 398.488 3.704 0 40 GHAB Cc1nn([C@@H](C)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1Br 6527458 ZGXUDYHPBVJMQE-IHWZXDPASA-N 380.330 3.848 0 40 GHAB O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1cccc(F)c1 6622481 WUNCYAAXAMEXDL-UHFFFAOYSA-N 381.230 3.590 0 40 GHAB CCc1ccc(-n2c(C)nnc2SCC(=O)NCc2ccc(C)cc2)cc1 6943882 BHPAHIMBMZPIAW-UHFFFAOYSA-N 380.517 3.855 0 40 GHAB O=C(NCc1ccccc1F)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 6981740 UKZGLAIJOCMCLS-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB CCn1c(SCC(=O)NC(C)C)nc2scc(-c3ccccc3)c2c1=O 7238042 SVIXJIXJSTVCDO-UHFFFAOYSA-N 387.530 3.762 0 40 GHAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOC)CC2=O)cc1 7544359 RBYJISJZOWQUSF-INIZCTEOSA-N 379.460 3.602 0 40 GHAB CC(C)(C)OC(=O)NCCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8093839 SRZFMOGCNYCKFW-CQSZACIVSA-N 389.521 3.917 0 40 GHAB COc1ccc2c(c1)CCC[C@]21NC(=O)N(Cc2nc3ccccc3s2)C1=O 8156512 MWIFXZBGHQQAKC-NRFANRHFSA-N 393.468 3.589 0 40 GHAB Cc1cc(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)nc2ccccc12 9224147 AKIRGRAQVSGGQC-UHFFFAOYSA-N 386.498 3.890 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)cc1C 9237903 GVDNXBGSOJQSSI-QZTJIDSGSA-N 379.489 3.601 0 40 GHAB CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3cccnc3)ccc12 9450571 SFYVDZAZINYWSK-MRXNPFEDSA-N 394.471 3.923 0 40 GHAB biogenic CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1 9752313 PJRKJLZDSYWGMQ-MRXNPFEDSA-N 375.266 3.842 0 40 GHAB Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cc1 9941290 YHZHZWCIELLGAO-SFHVURJKSA-N 397.500 3.922 0 40 GHAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccccc1C(F)(F)F 11853308 UISKPLJDCASGTR-UHFFFAOYSA-N 391.437 3.648 0 40 GHAB O=C(CC1CCCC1)N1CCC[C@H](Cn2nc(-c3cccs3)ccc2=O)C1 12084745 BFRNZYYUWDUZEK-KRWDZBQOSA-N 385.533 3.791 0 40 GHAB C[C@@H](Cc1ccccn1)N(C)C(=O)CCn1c(C(F)(F)F)cc2cccnc21 12220805 NZXNCYLOMZGGLU-AWEZNQCLSA-N 390.409 3.930 0 40 GHAB O=c1[nH]cc(-c2ccccc2)cc1CNc1cc(F)ccc1N1CCOCC1 12670660 KOHGLPUUQHFOGH-UHFFFAOYSA-N 379.435 3.630 0 40 GHAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)n2)cc1 12752290 DQWXYFBZFNWGPB-UHFFFAOYSA-N 391.431 3.601 0 40 GHAB Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc3c(c2)OCCCO3)C(C)C)cc1 12908562 JBDRTUBUCYFIKA-HXUWFJFHSA-N 382.460 3.549 0 40 GHAB COc1cc(Br)c(CCNC(=O)Cc2cccc(F)c2)cc1OC 12922349 DDOURHOWOFFYHF-UHFFFAOYSA-N 396.256 3.507 0 40 GHAB O=C1O[C@@H](C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)Cc2ccccc21 12927334 LQRFLQAHNOYDJD-MRXNPFEDSA-N 386.379 3.809 0 40 GHAB C[C@H](NC(=O)CCn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 12946980 NTTIVANOJMKJFH-ZDUSSCGKSA-N 389.381 3.626 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2csc(-c3ccccn3)n2)c1 12983102 HOXIUISJZJELOA-CYBMUJFWSA-N 383.473 3.642 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 14233346 KIHLILLQIKUXKT-HWKANZROSA-N 387.819 3.512 0 40 GHAB CC(C)OC(=O)C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 16139924 AYUFJNFYHPRSIK-FQEVSTJZSA-N 394.471 3.626 0 40 GHAB Cc1ccccc1-c1nc2nc(O)cc(NC(=O)c3ccc(Cl)cc3)n2n1 17028419 OWGVHQNHKJYQAN-UHFFFAOYSA-N 379.807 3.711 0 40 GHAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(Cl)c1 17305739 IMQYRJMZVCSEJC-HNNXBMFYSA-N 383.883 3.861 0 40 GHAB Cc1c(C(=O)N[C@H](c2ccncc2)c2cccs2)nnn1-c1ccccc1F 19557795 KAPRMXAMNWGZIU-LJQANCHMSA-N 393.447 3.691 0 40 GHAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 20043949 BWTOFCDVDWAYAJ-OLZOCXBDSA-N 398.887 3.511 0 40 GHAB O=C(O)c1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)ccc1O 20152058 NYEFOARXMZHOKL-UHFFFAOYSA-N 385.228 3.524 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1c2c(nn1-c1ccccc1)CCC2)c1cccs1 21495774 YYXGIWCJBUVWAD-SFHVURJKSA-N 394.500 3.629 0 40 GHAB CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCOCC2)cc1 23109703 YRQGDUDTPOZFKS-UHFFFAOYSA-N 396.512 3.775 0 40 GHAB COc1ccc(S(=O)(=O)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 23126291 KXRBIABBIPFVOS-UHFFFAOYSA-N 398.362 3.738 0 40 GHAB CCOCCCNC(=O)c1ccccc1SCC(=O)N1CCc2ccccc21 24735622 LKUMOEBFJFIPQI-UHFFFAOYSA-N 398.528 3.524 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCc1cccc(C(F)(F)F)c1 25982262 LJPDHSMCJHLLNW-KRWDZBQOSA-N 396.384 3.915 0 40 GHAB CC[C@H](C(=O)Nc1cc(C)on1)N(C)Cc1cc(Br)ccc1OC 27350668 FMBRBJDHOIIPHH-CQSZACIVSA-N 396.285 3.603 0 40 GHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1OC 28043471 SMGKKHGKDIQDPV-INIZCTEOSA-N 381.881 3.883 0 40 GHAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)n1cc(Br)cn1 28224289 CUZRGECQFMONCO-QMMMGPOBSA-N 378.148 3.744 0 40 GHAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(C(F)(F)F)cc1 29084719 FAWFYNHGXDCROY-SFHVURJKSA-N 378.394 3.509 0 40 GHAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2Cc2ccccc2)c1 29166274 MSAFVDRZQRIIKH-UHFFFAOYSA-N 380.469 3.901 0 40 GHAB O=C(CCc1cccnc1)N1CCc2[nH]c3ccc(Br)cc3c2C1 29214385 DXBJLABUWBJVRU-UHFFFAOYSA-N 384.277 3.843 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccncc2)nc2ccccc12 29350090 LZZALOIKHBQBDI-LSDHHAIUSA-N 377.444 3.757 0 40 GHAB Cc1ccccc1NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955103 PKGRORQCFPYMJQ-UHFFFAOYSA-N 376.460 3.896 0 40 GHAB Nc1nc(Cn2cc(C(F)(F)F)ccc2=O)nc2sc3c(c12)CCCCC3 31625446 BXYNOYMQAUYFHS-UHFFFAOYSA-N 394.422 3.771 0 40 GHAB O=C(COc1cccc2c1CCC[C@@H]2O)Nc1cccc(Br)c1 32691432 HIZKFRBTQNQCBA-INIZCTEOSA-N 376.250 3.836 0 40 GHAB O=C(CSc1nncc2c1[nH]c1ccc(F)cc12)NCCOc1ccccc1 32752924 IQXGSGHCFSQSOX-UHFFFAOYSA-N 396.447 3.538 0 40 GHAB CCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1 33594289 OCEDGLWHUCFHFU-UHFFFAOYSA-N 396.896 3.679 0 40 GHAB COc1ccc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)c(OC)c1 35686427 BNRMUVVRILEGMS-UHFFFAOYSA-N 380.448 3.770 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1C 36185794 WMWBLRWZTUJAQU-UHFFFAOYSA-N 378.428 3.521 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 36752163 ZMPSGCJAGYHNHQ-MRXNPFEDSA-N 375.852 3.796 0 40 GHAB CCCc1nnc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)s1 40141373 OJAQXCJVVJNLJI-JTQLQIEISA-N 384.299 3.968 0 40 GHAB O=C(Nc1cc(Cl)ccc1O)c1ccccc1-n1cnc2ccccc2c1=O 40286527 XTZKAZGQHOUWBN-UHFFFAOYSA-N 391.814 3.997 0 40 GHAB Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](c1ccc(F)cc1Cl)CC(O)=N2 40288106 GVSFGSXWACWRPP-GFCCVEGCSA-N 397.801 3.535 0 40 GHAB CCOc1ccc(NC(=S)NCc2ccc(OC)c(OC)c2OC)cc1 44252090 DPRYMFWDQVOIPR-UHFFFAOYSA-N 376.478 3.598 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 44902764 FQGFIGIEASCGOF-GOSISDBHSA-N 399.443 3.673 0 40 GHAB O=C(OCc1nnc(-c2ccccc2)o1)c1cnn(-c2cccc(Cl)c2)c1 56310353 UCJVVOODFGTXBG-UHFFFAOYSA-N 380.791 3.933 0 40 GHAB CC1CCN(CCCCNC(=O)N[C@H]2CCOc3c(Cl)cccc32)CC1 56805643 KZJISFUDDRBHGY-SFHVURJKSA-N 379.932 3.975 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cc(C)ccc2OC)c(-c2cccc(F)c2)n1 57508272 QDLRCKXTCGAOLU-UHFFFAOYSA-N 395.434 3.568 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)/C=C/c3c(Cl)nc4sccn34)ccc21 57633813 VLQSXLAZNUXSBO-SNAWJCMRSA-N 386.864 3.610 0 40 GHAB COc1ccc(OC[C@@H](O)CN(C)Cc2c(C(C)C)[nH]c3ncc(C)cc23)cc1 57773796 GCEHITWBMSRGAF-KRWDZBQOSA-N 397.519 3.875 0 40 GHAB C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(Cl)c3c(c2)OCCCO3)C1 58196886 QYXYOBIQUMFTIX-CQSZACIVSA-N 380.916 3.742 0 40 GHAB O=C(Nc1nnc(C(F)(F)F)s1)N[C@H]1CCCOc2ccc(F)cc21 65438988 OSNQTBAMPBEPNG-VIFPVBQESA-N 376.335 3.731 0 40 GHAB O=C(Nc1nnc([S@@](=O)Cc2ccccc2)s1)c1ccc(Cl)cc1 72238653 SMNNQMOFOWYLSN-XMMPIXPASA-N 377.878 3.752 0 40 GHAB O=C(NCCc1ccccc1)NC1(c2nc(-c3cccnc3)no2)CCCCC1 77197462 KHQOXCNWCXIMJW-UHFFFAOYSA-N 391.475 3.833 0 40 GHAB Cc1ccc(-n2cc(C(=O)N[C@H](C)CC[S@@](C)=O)c(-c3ccccc3)n2)cc1 78994499 WAWHDBLHDMUZPE-UULLZXFKSA-N 395.528 3.735 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3ccn(Cc4ccc(F)cc4)n3)[nH]n2)cc1 82086863 JPRIYOZDWGNNIF-UHFFFAOYSA-N 391.406 3.722 0 40 GHAB Cc1c([C@@H](C)OC(=O)CCN2C(=O)NC3(CCCC3)C2=O)oc2ccccc12 84068162 DGWAMRHLMBFSMU-CQSZACIVSA-N 384.432 3.600 0 40 GHAB CCO[C@@H]1CCCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 89986621 YMCYLVVOOQGTEL-QGZVFWFLSA-N 376.298 3.907 0 40 GHAB Cc1cc(C)n(-c2nc(CCNC(=O)CSc3ccc(F)cc3)cs2)n1 90609345 URVPCZAEPXVAQV-UHFFFAOYSA-N 390.509 3.536 0 40 GHAB C[C@H]1C[C@H](OC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1 95377702 WKXSXVSCBQJGHS-GUQOIMCTSA-N 382.256 3.985 0 40 GHAB COCCOc1cc(C)ccc1CN[C@@H]1CCN(C(C)=O)Cc2ccccc21 95466332 CCIQOZPJTWATCU-JOCHJYFZSA-N 382.504 3.603 0 40 GHAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 96241895 BPNXRUKYGXNQJA-QGZVFWFLSA-N 380.463 3.623 0 40 GHAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(C(=O)CC3CC3)CC2)Oc2ccccc21 96243341 XBVLNIRDVMVKSN-LJQANCHMSA-N 398.547 3.876 0 40 GHAB COc1ccc(NC(=O)c2nnc(CN[C@H](C)c3cccc(F)c3)s2)cc1 96795035 MWBSTEAALUXXDT-GFCCVEGCSA-N 386.452 3.789 0 40 GHAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccccc1-c1csc(C)n1 208009584 OHMHPBXQYBEABI-ZDUSSCGKSA-N 398.513 3.659 0 40 GHAB Cc1cccc(CN2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)c1 219407912 YBOOWFLCBVLXMD-UHFFFAOYSA-N 379.548 3.850 0 40 GHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 219598219 BFSNDEDSEBNJOU-PMACEKPBSA-N 389.517 3.823 0 40 GHAB CCCCNC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCCO2 222640475 VCUKWOKLMBNELY-UHFFFAOYSA-N 382.460 3.559 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 222920916 PMLNNVANQKYVLH-GOSISDBHSA-N 390.936 3.986 0 40 GHAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1 223558195 DYWZBFAMISDMKT-FQEVSTJZSA-N 396.531 3.750 0 40 GHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1 224086087 XPOWZUCCCQWITH-HNNXBMFYSA-N 388.458 3.839 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 224111228 HTOIYCJPFVSKOY-GOSISDBHSA-N 396.506 3.887 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCCOc1cc(C)cc(C)c1)CCCC2 224111778 YIFMTLPBBKPULH-UHFFFAOYSA-N 389.517 3.548 0 40 GHAB COc1ccc(C(=O)N2CCN(C)CC2)cc1COc1ccccc1C(C)(C)C 224173673 HVWYJJYAAUMADA-UHFFFAOYSA-N 396.531 3.959 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2ccc(C)cc2)c(C)c1C 224941026 ZUXWEIRQDHDNAZ-UHFFFAOYSA-N 379.547 3.832 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 225280412 NFTIBJJRQUXKCZ-HXUWFJFHSA-N 388.458 3.841 0 40 GHAB CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2C[C@H](C)C[C@@H](C)C2)n1 225883002 XVWNWLAXWDMPCI-HZPDHXFCSA-N 390.601 3.646 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1-c1ccc(C(=O)O)o1 226353367 GOUZIOLLDDQBHD-UHFFFAOYSA-N 391.376 3.593 0 40 GHAB Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1NS(=O)(=O)c1ccccc1 250922855 PTZAOJNIFSFCLQ-TWOQFEAHSA-N 384.501 3.714 0 40 GHAB CC(C)N1CCC(c2cncc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1 257211358 BYPBBSIKQOTTIH-IBGZPJMESA-N 380.492 3.632 0 40 GHAB CC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@@H](Cc2ccnc3cccnc23)C1 257234356 GTDWLQIXDCNBEP-IBGZPJMESA-N 394.563 3.921 0 40 GHAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)N(C)CCO)ccc3O2)cc1 257253873 KAPOTSLZFPDZME-DEOSSOPVSA-N 381.516 3.740 0 40 GHAB Cc1cnc(C(=O)N2CCC(C)(c3ncc(Cc4ccccc4)o3)CC2)cn1 257312633 UOWSBBHDHKJZCU-UHFFFAOYSA-N 376.460 3.558 0 40 GHAB C[C@@]12C[C@H]3CN[C@@H]1CCCC[C@@H]2N3C(=O)c1ccnc(Cc2cccc(F)c2)c1 257329456 XKBOFPJGIFCIPV-HYVLGVRCSA-N 393.506 3.947 0 40 GHAB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1 408622170 ONCASHQMHAHIGZ-GFCCVEGCSA-N 386.473 3.804 0 40 GHAB CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(OCC)c1 409074699 USZUHOLEPPFECM-WOJGMQOQSA-N 384.407 3.716 0 40 GHAB O=C(CCc1cc(Cl)no1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 524730871 AFMZJUSEMFTZBH-ROWPZFDLSA-N 389.927 3.682 0 40 GHAB biogenic COc1ccccc1-c1cc(C(=O)NCc2nccnc2-c2ccsc2)n[nH]1 575618863 JKJOFFJKBYXCKF-UHFFFAOYSA-N 391.456 3.534 0 40 GHAB CC(=O)N(c1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1)C1CC1 647483920 PBPPKYIIXCEUNA-UHFFFAOYSA-N 387.443 3.988 0 40 GHAB Cc1cc(C(=O)N2CCC(n3cnc4ccccc4c3=O)CC2)nc2ccccc12 1522538727 WTGNVJVNBGITCG-UHFFFAOYSA-N 398.466 3.730 0 40 GHAB COc1ccc2c(ccn2CCCNC(=O)[C@H](CCSC)n2cccc2)c1 1565534629 PCIBHUGERBFWOG-FQEVSTJZSA-N 385.533 3.952 0 40 GHAB Cc1cc(C)n(-c2ccccc2CNC(=O)Nc2cn(C)nc2-c2ccco2)n1 1673160019 OFEULXVHWKNNPS-UHFFFAOYSA-N 390.447 3.804 0 40 GHAB Cc1cccc(COC[C@H]2C[C@H]3[C@@H](C2)OCCN3C(=O)CC2=CCCCC2)n1 2055729831 SJJKGZKWQLQLOV-ILWGZMRPSA-N 384.520 3.803 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)c1 907455 AAGWMYCSWFTPFE-UHFFFAOYSA-N 381.436 3.993 0 40 GHAB CCOP(=O)(OCC)O[C@H]1c2[nH]ccc2-c2cc(C(=O)OC)[nH]c2[C@H]1OC 1647568 DIKOMQSMOOPQHM-CVEARBPZSA-N 398.352 3.736 0 40 GHAB O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccccc1 3240578 ZODIJZRSZBTDBX-GOSISDBHSA-N 393.464 3.515 0 40 GHAB CC(C)[C@H](CNC(=O)c1ccccc1SC[C@H]1CCCO1)N1CCCC1 42555608 SEVKKHPCMCBKBA-MJGOQNOKSA-N 376.566 3.808 0 40 GHAB CCc1nn2c(=O)cc(CN[C@H](c3ccccc3)c3cccs3)nc2s1 23805150 QODIPPFSARQSSW-GOSISDBHSA-N 382.514 3.654 0 40 GHAB C[C@H]1CCCN(CCCCNC(=O)N[C@@H]2CCCOc3ccc(F)cc32)C1 54785063 HDUBSNXFZKMAIL-QFBILLFUSA-N 377.504 3.851 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 6233958 DCQXTVGJLIDDQM-NSHDSACASA-N 387.288 3.607 0 40 GHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1 6880335 VYLBTSVCJPQFGG-UHFFFAOYSA-N 380.897 3.600 0 40 GHAB CCCS(=O)(=O)Nc1cccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 12544811 AAWTYUXGDOVVCH-KBPBESRZSA-N 392.443 3.689 0 40 GHAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccccc4)nn32)cc1 10153396 STKSONDUJCNUSM-QGZVFWFLSA-N 375.432 3.591 0 40 GHAB Cc1cccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 10285161 KBTPXESRIYDGQD-UHFFFAOYSA-N 394.496 3.853 0 40 GHAB CCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(OC)c(OC)c1)C3 61997720 LWDDAVBBQUZCGK-UHFFFAOYSA-N 381.428 3.725 0 40 GHAB biogenic CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C)c1nc(-c2ccccc2C)no1 107507949 VVTJLUYIGMNWRI-NZSAHSFTSA-N 382.508 3.971 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)c2cccc(Cl)c2)cc(OC)c1OC 3266328 RYODOIHMAVFETB-BQYQJAHWSA-N 390.819 3.805 0 40 GHAB COc1ccc([C@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)N(C)C)cc1 9314395 OFPKJWZGOUPLFJ-KRWDZBQOSA-N 382.382 3.627 0 40 GHAB O=C(NCCOc1ccc(Cl)cc1)NCCc1ccc(OC(F)F)cc1 9586711 RRZXNSYJEFIVRU-UHFFFAOYSA-N 384.810 3.862 0 40 GHAB C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1nc(-c2ccccc2)c[nH]1 58161766 LAUOOYAAWLVQRB-LPHOPBHVSA-N 393.491 3.867 0 40 GHAB COc1cccc(/C=C/C(=O)N2CCC[C@H](CN3CCC(C)CC3)C2)c1OC 58160206 GWVFEHZWJBXBQA-JBVUFVISSA-N 386.536 3.688 0 40 GHAB CCSc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 22432280 ZKNIFBLGHVZRAR-UHFFFAOYSA-N 378.519 3.512 0 40 GHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)N2CCCCCC2)cc1NC(=O)c1ccco1 12790961 JZFBLWOVOKWABR-INIZCTEOSA-N 398.459 3.788 0 40 GHAB CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@H](C)CC4 2293293 RXVHATNSKLBGAK-LLVKDONJSA-N 382.514 3.942 0 40 GHAB O=C(O)c1ccc2c([C@H](C(=O)O)N3CCCC3)cn(Cc3ccccc3)c2c1 36360431 SIVOMLJONRRPBG-HXUWFJFHSA-N 378.428 3.609 0 40 GHAB CCc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C 2394526 HALJKFQCQQXCFW-UHFFFAOYSA-N 387.530 3.905 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2ccccc2C(F)(F)F)c(OC)c1 3324474 USIJSJGBCHJKFO-UHFFFAOYSA-N 389.395 3.543 0 40 GHAB Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccc(Br)cc1)N2 2447866 TZUSSKIQTKTQNI-GJZGRUSLSA-N 388.244 3.908 0 40 GHAB Cc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc2c(c1)NC(=O)CO2 11967446 XXZUJUSSNAENDG-UHFFFAOYSA-N 383.404 3.841 0 40 GHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 11976218 FJJPPXWQDRCMNO-CYBMUJFWSA-N 381.863 3.525 0 40 GHAB O=C(CNC(=O)c1sc2cccc(F)c2c1COc1ccccc1)NC1CC1 12811881 LRIUGDRFFKNQAP-UHFFFAOYSA-N 398.459 3.628 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 37133048 BFJAFSJOVFLHAK-UHFFFAOYSA-N 380.469 3.849 0 40 GHAB O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@@H]1c1nnc2ccccn12 12896989 JRJMEJXXFRTDAX-OAHLLOKOSA-N 375.259 3.942 0 40 GHAB CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCc1ccccc1 4064486 ICOJOLMSUJRHHA-HXUWFJFHSA-N 380.444 3.847 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)O[C@H](CC)C(=O)c3ccccc3)CC2=O)cc1 5002144 BIEFPAAWHADZIZ-FXAWDEMLSA-N 395.455 3.643 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 5025989 FNHNIWSWAWXVII-WHWKNOJMSA-N 395.933 3.631 0 40 GHAB CCN(CC)CCCNc1nc2sc3c(c2c2nc(C)nn12)C[C@@H](C)CC3 13725227 XXBPZOJPHGBGPT-ZDUSSCGKSA-N 386.569 3.916 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccccc1 9236367 RACGIKVLNWRPQQ-SJORKVTESA-N 399.907 3.946 0 40 GHAB CCc1nn2c(=O)cc(CSc3nc(C)c(C)n3C3CCCC3)nc2s1 5117936 RXAVEQMEBZVZGS-UHFFFAOYSA-N 389.550 3.934 0 40 GHAB CCCCC(=O)Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1 408526266 ANXHNYGWSHBSEZ-UHFFFAOYSA-N 393.491 3.724 0 40 GHAB O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 9234281 NOLCGTPOHHAWGN-QGZVFWFLSA-N 399.450 3.931 0 40 GHAB CCCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 13945784 ZGJRZOVGPNXOJW-JOCHJYFZSA-N 375.472 3.938 0 40 GHAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4cccc(F)c4)CC3=O)c2c1 13944643 UQGPWZUPCHGVAR-MRXNPFEDSA-N 379.435 3.645 0 40 GHAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H]1c1nnc2ccccn12 14197120 NIYILGVNVHNIOA-ZDUSSCGKSA-N 397.287 3.562 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)c1 4735959 QMCYBGFIAPGXGL-UHFFFAOYSA-N 382.489 3.838 0 40 GHAB COc1ccc2[nH]c3c(N4CCN(c5ccccc5F)CC4)ncnc3c2c1 4817104 GXYZDMUTYVNFMI-UHFFFAOYSA-N 377.423 3.585 0 40 GHAB C[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(-c2ccccc2)cc1 15019970 QEFQIIAVIXNLAS-KRWDZBQOSA-N 383.451 3.941 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3ccco3)o2)n(-c2ccccc2)n1 5814035 PTXWBVZVIQACOU-UHFFFAOYSA-N 381.417 3.555 0 40 GHAB O=C(NCCSCc1ccccc1)NCc1cccc(NC(=O)C2CC2)c1 9879989 JHGWKLVUBINGJQ-UHFFFAOYSA-N 383.517 3.768 0 40 GHAB CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 7608569 JPUMRHVLCZGPAT-ZDUSSCGKSA-N 380.897 3.693 0 40 GHAB CN1CCCc2cc(NC(=O)[C@@]34CCC(=O)N3c3ccccc3S4)ccc21 68381531 SXUUCXOVOCXPAA-NRFANRHFSA-N 379.485 3.637 0 40 GHAB Cc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8193992 NEZDOBZHEOQHKU-OAQYLSRUSA-N 392.499 3.883 0 40 GHAB COc1ccccc1Nc1ncccc1C(=O)N1CCC(c2nc(C)no2)CC1 70016368 LGRAIYUCGXLAMC-UHFFFAOYSA-N 393.447 3.545 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)NCCCN2CCCC[C@@H]2C)c1 8351316 BXNVZWPIKRJIIG-INIZCTEOSA-N 385.508 3.865 0 40 GHAB C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1ccc(Cl)s1 8473927 RALRIJQEVNGWQN-OAHLLOKOSA-N 377.941 3.571 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 408622057 ALNFQFLETXPBGS-INIZCTEOSA-N 390.505 3.575 0 40 GHAB CC(C)(C)c1nc(CN2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)no1 69952251 XDAKFKUPCAYJTC-SFHVURJKSA-N 388.556 3.760 0 40 GHAB O=C(NCC(=O)N1CCCC1)c1cc(-c2ccccc2Cl)nc2ccccc12 9678209 TWRJRNIFHNJRPE-UHFFFAOYSA-N 393.874 3.907 0 40 GHAB O=C(O)CCSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 408749586 HTSAGNBOTCCLAU-VXGBXAGGSA-N 390.486 3.543 0 40 GHAB C[C@@H](CNC[C@@H](O)COc1ccc(F)cc1)c1cccc(Br)c1 84640037 DQURLFNALPQALH-SUMWQHHRSA-N 382.273 3.721 0 40 GHAB CC[C@H](Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2cccs2)no1 95482450 BMTZHGNNDJXZIN-ZDUSSCGKSA-N 375.425 3.753 0 40 GHAB O=C1S[C@H](Cc2ccc3c(c2)OCO3)C(=O)N1Cc1ccc(Cl)cc1 409140519 ILUFKCAETPXJHE-MRXNPFEDSA-N 375.833 3.875 0 40 GHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)Cc1ccc(Br)cc1 20137179 URJITMNYCPORSL-UHFFFAOYSA-N 398.640 3.991 0 40 GHAB O=C1C[C@@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)Nc3ccc(Cl)cc3)cc21 20800980 IKRSVNQTCGKENY-NSHDSACASA-N 382.803 3.786 0 40 GHAB O=C1N/C(=C/c2ccccc2Br)C(=O)N1Cc1ccccc1F 409089409 NMHCYXODYUSRRV-OQLLNIDSSA-N 375.197 3.681 0 40 GHAB Cc1ccc(C2=NC3(CCN(C(=O)Nc4ccc(C)cc4C)CC3)NC2=O)cc1 35432277 IBNQPSFDTCTZNU-UHFFFAOYSA-N 390.487 3.555 0 40 GHAB COc1cc2c(cc1OC)[C@H](NC(=O)c1c(C)cc(C)n(CC(C)C)c1=O)CC2 524733570 WGJJSXCATIJTAG-GOSISDBHSA-N 398.503 3.556 0 40 GHAB C[C@]1(c2ccc(Cl)cc2)CC(=O)N(Cc2cccnc2C(F)(F)F)C1=O 530168747 BMABXAUAOOHBDD-QGZVFWFLSA-N 382.769 3.971 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 408596612 XEDGKFWOQQYLKQ-UHFFFAOYSA-N 383.420 3.639 0 40 GHAB CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccc(F)cc1 35682599 ZGFGPXYXBTYKNT-UHFFFAOYSA-N 384.480 3.821 0 40 GHAB COc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1 33088990 ZINTYXNSTCJGDR-UHFFFAOYSA-N 399.244 3.581 0 40 GHAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCCCOC(C)C)n1 225204693 SLLHSDSXQJCZCY-UHFFFAOYSA-N 377.489 3.769 0 40 GHAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)c(Cl)c1Cl 223717995 QKRPGIODEMIDCO-UHFFFAOYSA-N 378.252 3.962 0 40 GHAB CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(SC)cc2)c1 224993699 OTYMWYDXAWXBDK-UHFFFAOYSA-N 379.503 3.719 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 224691752 LQNRGSUBGYHKCH-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB CN(Cc1ccncc1)C(=O)c1ccc(Cl)cc1I 47851184 HWYBWIJFWVDOHJ-UHFFFAOYSA-N 386.620 3.612 0 40 GHAB CC(C)C(=O)Nc1nc(-c2ccc(Br)cc2)c(CC(=O)O)s1 85397390 RDVQIQNFUOHDQS-UHFFFAOYSA-N 383.267 3.794 0 40 GHAB COc1cc2c(cc1S(=O)(=O)NCCc1ccc(Cl)cc1)CCCC2 225096381 VVRLFRYIXKEKOD-UHFFFAOYSA-N 379.909 3.748 0 40 GHAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccc(N2CCCC2)nn1 77099889 IOGURVLZBIVILY-UHFFFAOYSA-N 384.443 3.644 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C 225002783 IAEMHYPEXRCQGG-LJQANCHMSA-N 396.531 3.798 0 40 GHAB CCOC(=O)c1cc(NC(=S)NCCCN2CCC(C)CC2)ccc1Cl 225437150 JTBNINOWGYAFFG-UHFFFAOYSA-N 397.972 3.925 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1-c1nc(C(C)C)no1 46020259 JEQCQNQHLWHTET-UHFFFAOYSA-N 387.461 3.978 0 40 GHAB O=C(NCCc1ccc(F)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 225128949 HVMDPHCOJHJHTK-HKWRFOASSA-N 378.403 3.549 0 40 GHAB Cn1c([C@H](O)[C@H](O)c2nc3ccc(Cl)cc3n2C)nc2ccc(Cl)cc21 82086828 QKJUNZIPQRVNOT-IYBDPMFKSA-N 391.258 3.534 0 40 GHAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2o1 223326117 IECYBYPGRCTTHS-UHFFFAOYSA-N 393.635 3.882 0 40 GHAB CSc1ncccc1C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 49030299 QBVYHHVSRXEBMF-OAHLLOKOSA-N 397.500 3.833 0 40 GHAB CCn1c(CC(C)C)nnc1SCC(=O)Nc1cc(Cl)ccc1OC 95117299 ZVGAXYDTYFGMFB-UHFFFAOYSA-N 382.917 3.889 0 40 GHAB Cc1ccc(-c2cnc3n2CCN(C)C32CCN(CC3CCOCC3)CC2)cc1 96037091 SLIPFVCHJZFIQZ-UHFFFAOYSA-N 394.563 3.522 0 40 GHAB Cc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)Nc2ccc(F)cc2)C3)cc1 96269232 IXHQWCLVGXCHQD-SFHVURJKSA-N 380.423 3.718 0 40 GHAB biogenic,in-vitro O=C(CN1CCCC1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257265930 MAXPVUFLLPLWKI-KRWDZBQOSA-N 387.911 3.721 0 40 GHAB C[C@H]1C[C@H]1C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1 257235871 GZXFRRPTUHVIMB-MAUKXSAKSA-N 382.529 3.708 0 40 GHAB COCCC(=O)N[C@]1(C)C[C@H](c2ccccc2OC)O[C@@H]2C[C@H](C)CC[C@H]21 257328627 XGLWHSRHQIJLCR-XSGQZRFPSA-N 375.509 3.873 0 40 GHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)c(F)c4)OCC[C@@]31C2 257259890 LANPBWMUAIKEDP-FUBVMCKASA-N 393.474 4.000 0 40 GHAB CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC[C@H]2C)n1 260742698 YEMJNTXUBZZGJT-OAHLLOKOSA-N 376.574 3.542 0 40 GHAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 260924285 TZJJALFKIRMXNV-AHRSYUTCSA-N 384.549 3.835 0 40 GHAB Cc1ccc(OCc2nc3ccccc3n2Cc2nnn(C(C)(C)C)n2)cc1 655663183 ZCEQKWVOEIZHKO-UHFFFAOYSA-N 376.464 3.714 0 40 GHAB O=C(CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)NCc1ccco1 26948041 HEMBPQNYHSHOBE-UHFFFAOYSA-N 392.333 3.605 0 40 GHAB Cc1ccccc1OC[C@]1(O)CCCN(C(=O)c2cccc3cccnc23)C1 585277368 VLIVYXCUKGOFNL-QHCPKHFHSA-N 376.456 3.589 0 40 GHAB C[C@@H](NC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1)c1ccncn1 12073111 SQHKNJBMGPNHCP-LLVKDONJSA-N 392.337 3.553 0 40 GHAB O=c1[nH]cc(-c2ccccc2)cc1CNc1ccc(N2CCOCC2)c(F)c1 12143461 YOOLDAXAFHHRPC-UHFFFAOYSA-N 379.435 3.630 0 40 GHAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)c(C)c1 12416003 YEORUXGWPMUADQ-HNNXBMFYSA-N 377.400 3.603 0 40 GHAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1 14398255 CGOIUXAGANYKLI-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 14573706 SOACCWQJQOIBPX-KRWDZBQOSA-N 386.517 3.579 0 40 GHAB O=C(NCCSc1ccccc1)c1cccc(I)c1 18214486 OBZQGRWJDKNUKW-UHFFFAOYSA-N 383.254 3.813 0 40 GHAB CC(C)Oc1cc(CCC(=O)N2CCC[C@@H](c3cc4cccnc4[nH]3)C2)on1 19450513 CNYZRFWCGGDYTE-MRXNPFEDSA-N 382.464 3.677 0 40 GHAB Cc1cc(=O)n(CC(=O)N[C@H](C)c2nc3ccccc3s2)c2ccccc12 19566486 ZTBXIFYKFOYMMM-CQSZACIVSA-N 377.469 3.797 0 40 GHAB Cc1ccc(-n2ccc3nc(N4CCc5ccccc5C4)ncc3c2=O)c(C)c1 19959055 CVPNEQXOZNOCHH-UHFFFAOYSA-N 382.467 3.960 0 40 GHAB C[C@H](NCC(C)(C)CN1CCCCC1)c1cc(O)n2nc(C(C)(C)C)cc2n1 100217946 AEFDKJPGIMESOH-INIZCTEOSA-N 387.572 3.895 0 40 GHAB CCOC(=O)[C@@H]1CCCN(c2ncc(-c3cc(C)no3)c(-c3cccs3)n2)C1 12154328 WZEPWVLCXDBMPB-CQSZACIVSA-N 398.488 3.948 0 40 GHAB COc1ccc(CN2CCC[C@@H]3[C@H]2[C@@H](c2ccc(OC)cc2)CN3C(C)=O)cc1 19019355 VMDRZOHVOQUAFN-WXFUMESZSA-N 394.515 3.683 0 40 GHAB COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(CC(C)C)C1 19447177 LUPFJILEWCZZOH-XMSQKQJNSA-N 381.520 3.929 0 40 GHAB CCN1CCN(CCOc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)CC1 20591324 ZDBPSRFPQNZOTJ-UHFFFAOYSA-N 392.499 3.785 0 40 GHAB biogenic COc1ccc(CNC(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)cc1 252572370 ZDCBRNPTXKZVJB-IBGZPJMESA-N 377.444 3.606 0 40 GHAB C=CC(=O)Nc1cccc(C(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)c1 1640838145 DGBLIXXXGLRMQO-KRWDZBQOSA-N 388.826 3.817 0 40 GHAB c1ccc2sc(N3CCN(c4nc5cc6c(cc5s4)OCO6)CC3)nc2c1 4137902 UQKSUFCJHGPWON-UHFFFAOYSA-N 396.497 3.961 0 40 GHAB Cc1ccc(CNC(=O)CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1 4356687 NCRWGCAFKGVUPT-UHFFFAOYSA-N 393.468 3.589 0 40 GHAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)c1 5270072 LNHSZAMXCCPTTO-UHFFFAOYSA-N 390.439 3.537 0 40 GHAB O=c1nc(SCc2ccc(Cl)cc2Cl)c2c(n1CCCO)CCC2 10256796 KDQNBLMSLKHBBG-UHFFFAOYSA-N 385.316 3.714 0 40 GHAB CCOc1cc(/C=C2\S[C@H]3Nc4ccccc4N3C2=O)ccc1OC(C)=O 13563039 OMCMTWHDEDHNCJ-OLROSQPISA-N 382.441 3.841 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)c2ccccc2Br)cc1 28404601 HEYBNGBBDKNFMG-UHFFFAOYSA-N 386.249 3.955 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)NCc3nnc4n3CCCCC4)ccc2c1 40012919 KPXKZLOKZNCLJS-HNNXBMFYSA-N 378.476 3.586 0 40 GHAB COc1cccc2cc(C(=O)NCCSCc3ccsc3)c(=O)oc12 30557093 VRODOSMGVATQRM-UHFFFAOYSA-N 375.471 3.526 0 40 GHAB O=C(Nc1nncs1)c1cccnc1Oc1ccc(F)cc1Br 40144143 ZUBINHCOJUBEDP-UHFFFAOYSA-N 395.213 3.879 0 40 GHAB Cn1cnc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c1Cl 40123004 IPHBHNYWOARESR-UHFFFAOYSA-N 397.287 3.517 0 40 GHAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3nccs3)c3ccccc3C(=O)N2C)cc1 40285650 UGXKLHORMOYWBG-ZWKOTPCHSA-N 393.468 3.701 0 40 GHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3c(c1)ncn3CCc1ccccc1)[C@H]1C=C[C@H]2C1 100221765 GXJOIZLVNFTKSN-FHQLIMNDSA-N 383.451 3.591 0 40 GHAB CC(C)C(=O)N1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 20727472 RXRMKLFBRYULSQ-UHFFFAOYSA-N 389.499 3.630 0 40 GHAB COc1cccc([C@H]2C=C(c3ccc(C(C)C)cc3)Nc3nnnn32)c1OC 102048030 QIPWOQHGSZLIJU-GOSISDBHSA-N 377.448 3.870 0 40 GHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccco2)CC1 32893774 PWRVVDYARWSXKO-MRXNPFEDSA-N 398.503 3.765 0 40 GHAB CC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCCN2c2ncnc3sccc23)c1 102989154 QJSOLHXRSMMIQX-KRWDZBQOSA-N 395.488 3.566 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1 650605 XHQFIULUZFBYRR-UHFFFAOYSA-N 382.489 3.920 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccccc1O 675712 USFDFJYVKUJNHN-SECBINFHSA-N 385.272 3.980 0 40 GHAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 908039 VBMIWWSQAFRLMR-SFHVURJKSA-N 381.403 3.754 0 40 GHAB CCCCn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21 2319671 IFKYFMJMLNTCEQ-UHFFFAOYSA-N 376.416 3.636 0 40 GHAB CC[C@@H](C)[C@H](N)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 2383932 KABOXXWBHJEGRM-RNCFNFMXSA-N 399.314 3.609 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)N2C(=O)[C@H](C)SC2=N1 2487095 LQHPFIIMFCVVHH-NHYWBVRUSA-N 378.881 3.940 0 40 GHAB Cc1ccccc1NC(=O)c1cccc(NCN2C(=O)c3ccccc3C2=O)c1 3154388 WVYIQCBAGDZZOR-UHFFFAOYSA-N 385.423 3.913 0 40 GHAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc(Br)cc1Cl 3401943 GKYJMLYRRGIOLQ-JTQLQIEISA-N 389.702 3.670 0 40 GHAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3cc(C)on3)n12 4161037 WCZMWVAIMQERTB-UHFFFAOYSA-N 381.461 3.835 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(OC)cc1OC 4778594 NSEGEZYJWSXGFH-QDOBKRIMSA-N 390.524 4.000 0 40 GHAB COCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1C(C)C 4861108 CQMFQMCNBKHAFD-UHFFFAOYSA-N 382.917 3.741 0 40 GHAB Nc1c(C(=O)Nc2ccccc2Cl)nnn1Cc1ccc(F)cc1Cl 4934064 HEQPMCYHVPWLOQ-UHFFFAOYSA-N 380.210 3.607 0 40 GHAB O=C(CSc1nnc2ccc(-c3ccco3)nn12)Nc1cccc(Cl)c1 5168183 CHKUPRYMZVNWBV-UHFFFAOYSA-N 385.836 3.769 0 40 GHAB Cc1cccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c1C 5558531 HOURODLSMFNFFA-UHFFFAOYSA-N 391.448 3.933 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(S)n1-c1ccc2c(c1)OCCO2 5895598 LFACRYDDMWIWIF-UHFFFAOYSA-N 375.837 3.656 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1=O 6507348 QSQYPDRDNABNIC-GFCCVEGCSA-N 394.349 3.585 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1cnc2sc3c(c2c1=O)CCCCC3 6604624 SUZYUIZXRYAGKQ-CQSZACIVSA-N 393.512 3.705 0 40 GHAB O=C(COc1ccc2ccccc2c1)N1CCC(C(=O)N2CCCCCC2)CC1 6987358 TXLCULMVYJIPTM-UHFFFAOYSA-N 394.515 3.860 0 40 GHAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CCC(C)C)c1 7814351 DNEGNLURBFGISL-UHFFFAOYSA-N 376.478 3.871 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)N[C@H](C)c3ccc(F)c(F)c3)CC2=O)cc1 8076342 MRPFYJJJXCQAHB-HIFRSBDPSA-N 388.414 3.594 0 40 GHAB CCOc1ccc(OCCNC(=O)COc2cccc(Cl)c2Cl)cc1 8152063 ZFFQELLSDMPITI-UHFFFAOYSA-N 384.259 3.966 0 40 GHAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1coc(-c2cccs2)n1 8272953 GIDLKTPKYPDNHL-GOSISDBHSA-N 385.470 3.748 0 40 GHAB COC(=O)/C=C\c1ccc2c(c1)CC1(C2)Cc2ccc(/C=C/C(=O)OC)cc2C1 8665494 UFAVLSDSJVPSIE-VTBWALSUSA-N 388.463 3.943 0 40 GHAB COc1cccc2sc(N(Cc3ccco3)C(=O)c3cc(C)nn3C)nc12 9200796 CWAQSUFPAVQSLB-UHFFFAOYSA-N 382.445 3.787 0 40 GHAB COc1ccc(-c2cc(-c3nnc(SCc4ccc(C)cc4)n3N)[nH]n2)cc1 9329495 KDWUUQCAIQLAFQ-UHFFFAOYSA-N 392.488 3.658 0 40 GHAB CC(C)Cn1c(S[C@H](C)C(=O)NC2CCCCC2)nnc1-c1cccnc1 9595001 CPMCGPSLGLTPIA-OAHLLOKOSA-N 387.553 3.926 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(NC(=O)C4CC4)cc3)c2O1 11309988 LCKZETRFLFPLLY-UHFFFAOYSA-N 380.444 3.766 0 40 GHAB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 11976213 FJJPPXWQDRCMNO-ZDUSSCGKSA-N 381.863 3.525 0 40 GHAB COc1ccccc1/C=C/CN1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 12330107 KJILKNBKHPFZSZ-RRGWEWPQSA-N 399.445 3.963 0 40 GHAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccc(N2CCCCCC2)cc1 12596734 OSFKEFFIBZNQHZ-FQEVSTJZSA-N 379.460 3.795 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCCc1cccc2cccnc12 12785297 KSOWJLWVPCFWKI-UHFFFAOYSA-N 398.466 3.579 0 40 GHAB O=C(Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)c1cnccn1 12797769 GBSKAIXDGOPYPO-UHFFFAOYSA-N 392.484 3.599 0 40 GHAB Cc1ccc(CCC2CCN(CCC(=O)Nc3sccc3C(N)=O)CC2)cc1 12911135 VEFBAWPRFFVDGT-UHFFFAOYSA-N 399.560 3.829 0 40 GHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1Br 12930156 XPMXTJAODTXAHU-UHFFFAOYSA-N 391.240 3.867 0 40 GHAB O=C(O)c1ccccc1SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12937328 NLYKDMGOLKZZAZ-MRXNPFEDSA-N 399.468 3.612 0 40 GHAB COc1cc(NC(=O)CC2(CC(=O)O)CCCCC2)ccc1N1CCCC1=O 12981561 ZZRJAJDOGJUHRQ-UHFFFAOYSA-N 388.464 3.576 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12991702 PIUZCYCYAXVHHP-HXUWFJFHSA-N 391.489 3.532 0 40 GHAB COc1ccc(C(=O)N2CCN(Cc3csc4ccccc34)CC2)c(OC)c1 13008671 BJKZOWRJTQZGKW-UHFFFAOYSA-N 396.512 3.877 0 40 GHAB COc1cc(C(=O)Nc2ccccc2C(C)=O)cc(OC)c1Br 14170258 PKHUYBWCVDURSQ-UHFFFAOYSA-N 378.222 3.921 0 40 GHAB Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)N2CCCCC2)o1 15860186 NIMJEZBKDNZLDG-KRWDZBQOSA-N 376.884 3.964 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1CCO 16752672 GEFZHGGIOQRVSL-INIZCTEOSA-N 390.222 3.637 0 40 GHAB COc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3)o2)c1 17227310 QNLQCICDCWKJBC-UHFFFAOYSA-N 385.445 3.696 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)C[C@H](C)n2nnc3ccccc32)c(OC)c1 19455259 YZLMXRVXEZSDFX-HNAYVOBHSA-N 394.475 3.763 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1ccc2c(c1)C[C@H](C)O2)CC3 19498095 NVUOUGOFKPSIHN-AWEZNQCLSA-N 376.456 3.627 0 40 GHAB CC(=O)Nc1sc2c(c1CN1CCN(Cc3ccccc3)CC1)CCCC2 20192344 RWRBRAPLTRHZQR-UHFFFAOYSA-N 383.561 3.903 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2ccco2)cc1OC 20489583 DAXZSOJYFKULPE-ZDUSSCGKSA-N 381.519 3.827 0 40 GHAB Cc1c(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 21933045 ZFMRPHPXOGHFDZ-CQSZACIVSA-N 391.475 3.550 0 40 GHAB O=C(Cc1csc(-c2ccccc2)n1)OCC(=O)N1CCc2sccc2C1 22079155 TVMHDIJTLOUOEH-UHFFFAOYSA-N 398.509 3.542 0 40 GHAB CCCCN1C(=O)C[C@@H](C(=O)Nc2ccccc2O)[C@@H]1c1ccc(OC)cc1 22699105 RHBANXRPENRQEC-UTKZUKDTSA-N 382.460 3.729 0 40 GHAB Cc1ccn(C(=O)CCn2cnc3sccc3c2=O)/c(=N/C2CCCCC2)c1 23199662 XHPBKASNFNNTEP-PTGBLXJZSA-N 396.516 3.532 0 40 GHAB CSc1ccc(CN(C)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 23508187 JTFCBKIZRKXPMT-QFIPXVFZSA-N 395.528 3.581 0 40 GHAB COc1ccccc1CNc1nc(CN2CCOCC2)nc2sc(C)c(C)c12 23908441 CEUHFQZKEBWNTB-UHFFFAOYSA-N 398.532 3.761 0 40 GHAB COc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c(OC)c1OC 24391450 NWQJNNCWQAHXIK-UHFFFAOYSA-N 398.503 3.975 0 40 GHAB COC(=O)c1ccc(Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)cc1 24989746 KFUKFOFUKZAYJD-UHFFFAOYSA-N 388.345 3.764 0 40 GHAB O=C(Cc1cccs1)Nc1cnn(Cc2ccc(Br)cc2)c1 27920877 UOXPZZLWJATWQM-UHFFFAOYSA-N 376.279 3.937 0 40 GHAB CN(Cc1ccnn1C)C(=O)c1ccc(COc2ccc(F)cc2Cl)o1 28236174 NBIHCFKNIVMGTQ-UHFFFAOYSA-N 377.803 3.657 0 40 GHAB O=S(=O)(NCc1cccnc1Oc1cccc(F)c1)c1ccccc1F 32437785 WEGOKOIJSIABPI-UHFFFAOYSA-N 376.384 3.631 0 40 GHAB Cc1cc(O[C@H](C)C(=O)NCCc2nc(-c3ccccc3)no2)ccc1Cl 32593725 FTABPAXQLICOGU-CQSZACIVSA-N 385.851 3.825 0 40 GHAB O=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)[C@H]1CC=CC[C@H]1C(=O)O 32610349 WOUODCRKTKJBMK-QWHCGFSZSA-N 394.258 3.844 0 40 GHAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1cccc(OCc2ccccc2)c1 32812512 FFOMZDWWWFXXMA-FQEVSTJZSA-N 380.444 3.751 0 40 GHAB COc1cccc(NC(=O)c2c(C)oc3ncn(Cc4ccccc4)c(=O)c23)c1 35672720 ZCOCWUXFRKNZFI-UHFFFAOYSA-N 389.411 3.607 0 40 GHAB O=C(c1ccc2c(=O)n(-c3cccc(C(F)(F)F)c3)cnc2c1)N1CCCC1 36359499 XXVCRWWGDGNJJI-UHFFFAOYSA-N 387.361 3.641 0 40 GHAB O=C(O)c1ccc2c(c1)c([C@@H](C(=O)O)N1CCCC1)cn2Cc1ccccc1 36366404 RDAZLQNTOPAOCO-FQEVSTJZSA-N 378.428 3.609 0 40 GHAB CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)[C@H](c2ccccc2)C1 38312538 SINDWROWTYUETK-INIZCTEOSA-N 385.316 3.671 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1csc(Cc2ccccc2)n1 40088729 ODTSAZXTQWSMIX-SFHVURJKSA-N 381.501 3.894 0 40 GHAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1Oc1cccc(F)c1 40094378 NVMBONUECFOLMW-CYBMUJFWSA-N 389.427 3.542 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)NCCSC(F)(F)F)no1 40119036 TUNMRJZNIZWGKK-UHFFFAOYSA-N 377.413 3.653 0 40 GHAB COc1cc(NC(=O)c2nc(N3CCCC3)ncc2Cl)c(OC)cc1Cl 40140821 RWUOBNGWUUCPSB-UHFFFAOYSA-N 397.262 3.653 0 40 GHAB COc1ccc(S[C@H](C)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 40152405 LZUOIAXXLLWUEP-AUUYWEPGSA-N 376.497 3.734 0 40 GHAB CC1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccs4)on3)C2)CC1 46085563 IAOMFMFCTIUUNK-OAHLLOKOSA-N 387.505 3.514 0 40 GHAB O=C(Cc1csc(-c2cc(Br)cs2)n1)Nc1ncccc1O 48369178 BWZGSYIHLPFGIU-UHFFFAOYSA-N 396.291 3.916 0 40 GHAB CC(C)(C)OC(=O)N(CCCNC(=O)c1ccccc1F)Cc1cccnc1 54776023 LLQLOVAJEOLRML-UHFFFAOYSA-N 387.455 3.778 0 40 GHAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2c(Cl)nc3ccccn23)o1 54828631 XEUDSJVLXGSLPM-AAEUAGOBSA-N 379.869 3.525 0 40 GHAB CCCn1c(SCC(=O)Nc2cc(F)ccc2F)nc2ccsc2c1=O 57425247 KBSKKEOPEQFXIM-UHFFFAOYSA-N 395.456 3.877 0 40 GHAB CN(C(=O)c1ccc(N2CCOCC2)cc1)[C@@H](c1ccccc1)c1ccccn1 58142331 NQQSBRGKNIEPFU-QHCPKHFHSA-N 387.483 3.780 0 40 GHAB Cc1csc(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)n1 59176203 VNZYOCOOROUTTE-UHFFFAOYSA-N 390.490 3.761 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)COCc2ccccc2Cl)c1C 71946936 XEJSOJGLAXHVOX-UHFFFAOYSA-N 395.908 3.595 0 40 GHAB Cc1ccc(Cn2cc(NC(=O)C3(c4ccccc4)CCOCC3)cn2)cc1 72265158 IWPMVTLCYYYMBL-UHFFFAOYSA-N 375.472 3.927 0 40 GHAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccc(Cc2ccc(F)cc2)nc1 77010562 PEGWXHPUZXECPH-GMAHTHKFSA-N 381.495 3.900 0 40 GHAB Cc1cc(C(F)(F)F)nc(CCNC(=O)c2ccc(OC(F)(F)F)cc2)n1 77101111 WSWBLIVFURQHPK-UHFFFAOYSA-N 393.287 3.675 0 40 GHAB C[C@](O)(CNC(=O)COc1ccccc1F)c1ccc(-c2ccccc2)cc1 77184132 RSOVLKPKUUOBLL-QHCPKHFHSA-N 379.431 3.895 0 40 GHAB O=C(Nc1ccc(-n2cccn2)nc1)C1(c2ccc(Br)cc2)CC1 84617972 ZVPRFOUOZKENKZ-UHFFFAOYSA-N 383.249 3.700 0 40 GHAB Cc1cn2cc(C(=O)N3CCN(Cc4ccc(C(C)C)cc4)CC3)sc2n1 89702188 UBNIVPFYFYLMRT-UHFFFAOYSA-N 382.533 3.786 0 40 GHAB CNS(=O)(=O)c1cccc([C@@H](C)NCc2cc3ccccc3nc2Cl)c1 95450154 QNNRUORHBYEKNN-CYBMUJFWSA-N 389.908 3.647 0 40 GHAB CO[C@H]1CCN(c2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)C1 96122276 UAMRDBZLHXLLNW-SFHVURJKSA-N 389.293 3.855 0 40 GHAB C[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 193902210 OZQKXZFAXNZPAV-HZPDHXFCSA-N 397.496 3.888 0 40 GHAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1 205725723 WNMSTSLCYLQRHU-RKPNYOAGSA-N 377.462 3.852 0 40 GHAB CCCCCNc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O 217584090 HCJGJEGKROPHGZ-UHFFFAOYSA-N 382.526 3.988 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 222594147 MTWDDRVFTQGZFA-KRWDZBQOSA-N 388.533 3.509 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222653006 WTYLXAKCZHHWJV-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1 222873765 YHGQWRUJJMGXER-HNNXBMFYSA-N 390.936 3.638 0 40 GHAB COc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1Cl 222917766 LBOPRISLPCBRMD-UHFFFAOYSA-N 378.215 3.982 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 223594355 QHZKIHIQEARJMH-GOSISDBHSA-N 384.545 3.782 0 40 GHAB CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)Cc3ccccc3)n2)cc1 223624182 LDFAZBUJPXRNRH-UHFFFAOYSA-N 385.489 3.654 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 223866541 PLUFDENNIWQTEP-QGZVFWFLSA-N 398.478 3.681 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 224179119 PDPAURXSHFVJMG-OAQYLSRUSA-N 396.531 3.934 0 40 GHAB CCN(c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1)S(=O)(=O)c1ccccc1 224357114 KLMKZFMQKLGBFJ-HGHGUNKESA-N 398.528 3.820 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1 225168100 PYPATJYLSPPQRQ-KRWDZBQOSA-N 386.467 3.538 0 40 GHAB COC(=O)c1cc(NC(=S)NCCCN2CCCCCC2)ccc1Cl 225400273 ZXPPREAXCBKXLJ-UHFFFAOYSA-N 383.945 3.679 0 40 GHAB COc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)CC1 225802870 KXVBSCUHAZEKCV-GOSISDBHSA-N 394.515 3.690 0 40 GHAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1 257269820 MRNLRDQEJAIMBU-HNNXBMFYSA-N 380.423 3.592 0 40 GHAB CCc1nccn1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257307028 SWYBPHYOBIDPCR-IBGZPJMESA-N 396.466 3.917 0 40 GHAB COc1cccc2[nH]c(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCCC[C@@H]35)N4C(C)=O)cc12 257338567 YXZBUIWMKCJIBD-HJIBZVINSA-N 395.503 3.571 0 40 GHAB CC(C)(Cc1c[nH]c2ccccc12)NC[C@H](O)COc1cccc2cc[nH]c12 299888251 BMFRSTMTAZXLSY-SFHVURJKSA-N 377.488 4.000 0 40 GHAB O=C(Cc1ccccc1)N1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306128958 HPHVGVLLDWNGRN-NRFANRHFSA-N 397.482 3.740 0 40 GHAB O=C(NCc1cccc2ccccc12)NC[C@@](O)(c1ccoc1)c1ccco1 390826649 BACZUHBKPSWDMP-JOCHJYFZSA-N 376.412 3.761 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 408655928 SGLFNOQQKRVCGM-PKOBYXMFSA-N 379.456 3.779 0 40 GHAB CCOC(=O)COc1ccccc1/C=C1\SC(=O)N(c2ccccc2)C1=O 408809887 ICXSRESYSDIJHI-ATVHPVEESA-N 383.425 3.869 0 40 GHAB CC(C)C1=NN(C(=O)c2cccc(Br)c2)[C@@](O)(C(F)(F)F)C1 409066188 HKYDAICOAGLYNF-ZDUSSCGKSA-N 379.176 3.558 0 40 GHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O 409095241 BOIDTEVTPQQLQO-CNOAHFENSA-N 375.377 3.684 0 40 GHAB CCCCCN1C(=O)S/C(=C\c2ccccc2OCC(=O)OCC)C1=O 409207998 ABPDGSMCCZOBCG-VBKFSLOCSA-N 377.462 3.855 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccn3)no2)c(C)c1 507996356 CLDJDPFYXVYHLX-KRWDZBQOSA-N 398.488 3.583 0 40 GHAB C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cncnc1C1CC1 514920346 MSEGYMHPEPCINW-SJKOYZFVSA-N 391.393 3.975 0 40 GHAB CC(C)(NC(=O)Nc1cccc2c1CCNC2=O)c1nc2ccccc2s1 529119695 PPGABWCWQBJGSR-UHFFFAOYSA-N 380.473 3.639 0 40 GHAB CN1CCCN(c2ccc(-c3noc(Cc4cscn4)n3)cc2Cl)CC1 585099644 ZXTUWJXWGIMSQY-UHFFFAOYSA-N 389.912 3.579 0 40 GHAB Cc1cc(-c2nc(C)c[nH]2)nc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 585182430 SOKFUVVLSSUGQE-SFHVURJKSA-N 379.439 3.529 0 40 GHAB COc1ccc(S(=O)(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1C 655641236 AOBXFCWEFYLHMI-UHFFFAOYSA-N 397.500 3.515 0 40 GHAB Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](c4ccnc(N)n4)C3)cs2)c(C)c1 671825730 CUZZVBRBHWMBMW-OAHLLOKOSA-N 393.516 3.819 0 40 GHAB C[C@@H](NC(=O)N(C)C1CCN(c2cnccn2)CC1)c1cc2cccc(F)c2o1 683992985 SLBLAKFUIAMTPZ-CQSZACIVSA-N 397.454 3.733 0 40 GHAB Fc1cc(F)c2nc(N3CC[C@H](COc4cc5c(nn4)CCC5)C3)sc2c1 1888918186 YDEHXFNMEFXVCH-NSHDSACASA-N 388.443 3.759 0 40 GHAB Cn1cc(-c2ccc(CCNC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cn1 1889264316 AOPRNYOFQOSBQY-UHFFFAOYSA-N 378.520 3.898 0 40 GHAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242507 CBTOUUZVODRFJT-YRPNKDGESA-N 395.532 3.574 0 40 GHAB CCN(CC)CCNc1cc(C)nc(NC(=N)Nc2ccc(Cl)cc2)n1 1686968 JWBWVGDXXKLUEJ-UHFFFAOYSA-N 375.908 3.651 0 40 GHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)COc1ccc2ccccc2c1 3459544 TWYVHIKNKGRRKE-UHFFFAOYSA-N 392.455 3.714 0 40 GHAB O=C(CSc1nnc(Nc2ccccc2F)s1)NCc1ccc(F)cc1 3469115 GBXBNOQQKSTGOL-UHFFFAOYSA-N 392.456 3.968 0 40 GHAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)c(OC)c1 4077267 UJQNGCORDQYBMS-UHFFFAOYSA-N 381.457 3.889 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccnc1 4525931 VXINHNISUXSZBF-QFIPXVFZSA-N 392.842 3.742 0 40 GHAB CCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CC)CC)n1 4616606 NSFMLIPLEKHYBF-UHFFFAOYSA-N 389.344 3.802 0 40 GHAB O=C(OCC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccc2c(c1)OCO2 4745150 ZCFBHHPNDRGBGC-UHFFFAOYSA-N 389.407 3.882 0 40 GHAB Cc1ccc(N(C(=O)c2ccccc2F)[C@@H]2C=CS(=O)(=O)C2)cc1Cl 5070760 NAFDUHVSZOLKDM-CQSZACIVSA-N 379.840 3.745 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 5111267 KLGNRQMWUKHNGQ-MVGZEHJDSA-N 395.933 3.631 0 40 GHAB C[C@H](OC(=O)c1cccn1C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 5205148 RKPBGOHYADEXLK-JTQLQIEISA-N 391.399 3.611 0 40 GHAB CCCCOC(=O)c1ccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 5375300 YKYFTTQVLHXRRY-LJQANCHMSA-N 385.416 3.942 0 40 GHAB O=C(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 5636539 DVASZUWTMFOIJB-UHFFFAOYSA-N 392.908 3.696 0 40 GHAB O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccc(O)cc2)N1Cc1ccncc1 6040038 SACHOUCCBQVCNA-QFIPXVFZSA-N 398.422 3.628 0 40 GHAB Cc1cccc(C(=O)N[C@@H](C)C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1 6553410 WBQVLTHNMNYCEN-HNAYVOBHSA-N 378.476 3.503 0 40 GHAB CCCCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OC 6557875 BTQQCYGAYWDVQK-GOSISDBHSA-N 392.521 3.620 0 40 GHAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c(F)c1 6607420 LCXXNBMYAPENIU-QMMMGPOBSA-N 387.194 3.720 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(C(=O)O)cc1 6615251 FXMWIRKBHRZXKF-UHFFFAOYSA-N 399.255 3.584 0 40 GHAB COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)ccc1O 6641611 PYOYKWGLTCKUAR-ZEYPLWLESA-N 381.472 3.909 0 40 GHAB C[C@@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)Nc1ccc(F)c(F)c1F 6908550 XAWWPZYJIXGACW-MRVPVSSYSA-N 391.378 3.747 0 40 GHAB O=C(COC(=O)c1cc(C2CC2)nn1-c1ccccc1)Nc1ccc(F)c(F)c1 7233324 YJIDJGLLNAPDOL-UHFFFAOYSA-N 397.381 3.823 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7268771 QYGRRUGJUPHIRG-PXNSSMCTSA-N 386.451 3.833 0 40 GHAB COc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 7376403 DYPMCOIEKRVUND-UHFFFAOYSA-N 379.787 3.846 0 40 GHAB Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 7421141 GMRDBAMWUWNBKR-UHFFFAOYSA-N 399.454 3.800 0 40 GHAB O=C(COc1cccc(Br)c1)NCCSCc1ccsc1 7696920 SEFYPRPQGDGMTI-UHFFFAOYSA-N 386.336 3.939 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)NCc2ccc(Cl)cc2)c(OC)c1 7719557 AVJFCKGHYBUTKY-IBGZPJMESA-N 388.895 3.811 0 40 GHAB NC(=O)c1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 7736674 POLHUTJSWPCHJX-NRFANRHFSA-N 394.858 3.724 0 40 GHAB COc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c(OC)c1 7781886 XJKQYWYJFZPBEC-UHFFFAOYSA-N 375.471 3.898 0 40 GHAB CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C)cc1 7792540 LMRLQXUHFDNMSC-FQEVSTJZSA-N 386.517 3.661 0 40 GHAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)/C=C/C(=O)O)cc1C 8429676 LLTFFJAPVOZUNF-VAWYXSNFSA-N 389.455 3.755 0 40 GHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(Br)cc2)C1=O 8891642 DEKTWXPUYAQPNY-GOSISDBHSA-N 391.240 3.946 0 40 GHAB CCN(CC)CCCNC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 9418517 LGGAMXOJDVDEKV-UHFFFAOYSA-N 392.503 3.622 0 40 GHAB CC(=O)Nc1cccc(NC(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)c1 9573831 XSCKCQCNNKXPGU-UHFFFAOYSA-N 389.415 3.597 0 40 GHAB COc1ccccc1-c1nnc2sc(-c3cncc(Br)c3)nn12 9575895 VMLUEOKGAKLKGP-UHFFFAOYSA-N 388.250 3.686 0 40 GHAB CCCOc1c(Cl)cc(C(=O)NCc2nnc3ccccn23)cc1OCC 9639302 BCOJFQOXMWYPMS-UHFFFAOYSA-N 388.855 3.500 0 40 GHAB Cn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2nn(-c3ccccc3)c(=O)c-2c1 9661352 QGJGZGUMXHIPOG-UHFFFAOYSA-N 396.809 3.721 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)c1cc(F)ccc1Br 10235280 SADBEJGCAWNMHV-UHFFFAOYSA-N 388.240 3.763 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1ccc(Br)cc1 11083494 UQENOJVFQRUYEI-UHFFFAOYSA-N 398.304 3.895 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCCC4)cc3)n2)cc1 11147824 TYMKXMMVTXQJPB-UHFFFAOYSA-N 392.459 3.917 0 40 GHAB O=C(NCCCc1ccccc1)c1cc(=O)c(OCc2ccc(F)cc2)co1 11856813 OFWXBMSNGFQWEE-UHFFFAOYSA-N 381.403 3.721 0 40 GHAB CCn1c(=O)c2ccccc2n2c(CNc3c(C)cc(C)cc3Cl)nnc12 12540867 KHZOUQLRQDWBEJ-UHFFFAOYSA-N 381.867 3.946 0 40 GHAB C[C@H]1CN(Cn2nc(Cc3ccccc3)n(-c3ccccc3)c2=S)CCO1 12554647 YKTHGNZUPIRGSG-KRWDZBQOSA-N 380.517 3.672 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3C)C2)s1 12819752 AYNQLBHZAMLZOQ-INIZCTEOSA-N 392.546 3.713 0 40 GHAB CN(CCC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccccc1Cl 12866233 QHAPJMNIPWELBS-UHFFFAOYSA-N 381.810 3.517 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2cccs2)c1 13095417 ILEFJGRKZQTJHG-QGZVFWFLSA-N 392.546 3.756 0 40 GHAB CC(=O)Nc1ccc(OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 13368408 OVUMBGGIPWYWNX-UHFFFAOYSA-N 398.488 3.736 0 40 GHAB CC(=O)Nc1nc2ccc(C(=O)NCCc3c[nH]c4ccc(F)cc34)cc2s1 13692671 WFKNDDNQZSPFTA-UHFFFAOYSA-N 396.447 3.848 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 13725618 ITURNFBCLYLSAQ-QGZVFWFLSA-N 395.890 3.990 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(N3CCCC3)n2Cc2ccco2)cc1 14093461 HJPYHARXEISUHZ-UHFFFAOYSA-N 397.504 3.559 0 40 GHAB O=C(NCc1nnc2n1CCCCC2)c1cc2c(s1)-c1ccccc1OC2 14485141 GYFUJALNFDFVNU-UHFFFAOYSA-N 380.473 3.555 0 40 GHAB COc1ccc(C)cc1[C@H](C)NC(=O)CCCNC(=O)NC1CCCCC1 14848744 UDOBELFHZNOPOP-INIZCTEOSA-N 375.513 3.593 0 40 GHAB CC(C)(C)NC(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21 15680792 OCSJYMKUCHVXEB-UHFFFAOYSA-N 384.501 3.530 0 40 GHAB Cc1nc(-c2cccc(NC(=O)Cn3nc(-c4cccs4)oc3=O)c2)cs1 16462114 XCVGDPOTISEEBQ-UHFFFAOYSA-N 398.469 3.635 0 40 GHAB Fc1ccc(-c2nc(C3CC3)ncc2-c2nnnn2-c2ccccc2)cc1F 16523906 XAGBSXDGBFDLLX-UHFFFAOYSA-N 376.370 3.942 0 40 GHAB Cc1ccnn1CCSCC(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1 19238531 AIBKMFADPHMAQS-FQEVSTJZSA-N 394.544 3.879 0 40 GHAB O=C(c1cc([C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)no1)N1CCCC1 19292907 ZSFAHYOEARSWAE-OAHLLOKOSA-N 375.419 3.568 0 40 GHAB CC(C)N1CCC(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCCN3C)CC1 19447781 DGQIAKPCOLHXGS-WXFUMESZSA-N 397.607 3.976 0 40 GHAB COc1ccc2cnc(C3CCN(C(=O)c4cnn(C)c4C)CC3)cc2c1C 19582698 ZKXVYLNJYXBGLS-UHFFFAOYSA-N 378.476 3.614 0 40 GHAB Cc1ccc(OCCN2CCCC2)c(NC(=O)c2cc(C)nc3onc(C)c23)c1 19715828 XOAOUGDVRNJWON-UHFFFAOYSA-N 394.475 3.875 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 20112618 TZIJCSTXVJYELC-HXUWFJFHSA-N 382.460 3.727 0 40 GHAB Cc1ccc2c(C)c(C(=O)N3CCN(CCc4ccccn4)CC3)oc2c1C 21658767 KRDSDXOBSJIERC-UHFFFAOYSA-N 377.488 3.754 0 40 GHAB CC(C)NC(=O)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 22025358 ZYZBCTLTZUWIPQ-JOCHJYFZSA-N 385.939 3.572 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2c(C)cccc2C)CC1 23211987 WADYKNHPPLXEEB-FQEVSTJZSA-N 388.939 3.827 0 40 GHAB COC(=O)c1ccc(F)c(NC(=O)CCOc2ccc(Br)cc2)c1 24919583 TUISYBSQQZGWKR-UHFFFAOYSA-N 396.212 3.782 0 40 GHAB Cc1csc(CNC(=O)c2ccccc2OCc2cn3ccccc3n2)n1 24983822 HJHNEKAJWONETE-UHFFFAOYSA-N 378.457 3.608 0 40 GHAB COc1ccc(CN(C)[C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1F 25059209 VNYZKVAZOKDKCZ-HXUWFJFHSA-N 392.430 3.751 0 40 GHAB Cc1cc(=O)c(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)nn1-c1ccccc1F 25144413 HRSFOBQPTZWTGX-OLZOCXBDSA-N 397.372 3.531 0 40 GHAB CNC(=O)c1ccc(CN(C)c2nc(-c3ccncc3)nc3ccccc23)cc1 25165341 UTXKTRPYVFAGGZ-UHFFFAOYSA-N 383.455 3.688 0 40 GHAB O=C(Cn1cnc2ccc(F)cc2c1=O)NCC1(c2ccccc2)CCCCC1 25252125 ZPQQOZSJFVEMQG-UHFFFAOYSA-N 393.462 3.554 0 40 GHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NOCc3ccccc3)c12 25286773 UZAARZLPBWKDFT-UHFFFAOYSA-N 378.457 3.867 0 40 GHAB O[C@@H](COc1ccccc1Cl)CN1CCN(c2cccc(Cl)c2)CC1 26919767 NCUHWNXVSBFTAF-QGZVFWFLSA-N 381.303 3.555 0 40 GHAB COC(=O)c1cc([C@@H]2N(Cc3ccco3)C(=O)c3ccccc3N2C)oc1C 28924018 BVVSUDORBVMZGL-IBGZPJMESA-N 380.400 3.759 0 40 GHAB CSc1ncc(C(=O)N(C)CCOc2ccc(F)cc2)n1-c1ccccc1 29707191 SINHYUGRUKXVIP-UHFFFAOYSA-N 385.464 3.884 0 40 GHAB CC1=C[C@@H](CNC(=O)c2ccccn2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 30881537 HZPYHKQXUBDYHV-UFYCRDLUSA-N 383.536 3.679 0 40 GHAB biogenic,in-vitro O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 32031616 RMOVPTZJHZRRNW-UHFFFAOYSA-N 392.528 3.974 0 40 GHAB O=C(Cc1cc2c(cc1Br)OCCO2)Nc1ccc(F)c(F)c1 32740611 LJVFLILVOQUYRW-UHFFFAOYSA-N 384.176 3.680 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccs1 32882756 QZZOCOURFDZQDJ-SSDOTTSWSA-N 378.322 3.650 0 40 GHAB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccccc2F)SC1=S 35648683 SYUMGYJBXUIHIZ-YLQKULKDSA-N 387.457 3.723 0 40 GHAB C[C@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1 36774804 HJZYCACOLSZWPM-QGZVFWFLSA-N 399.922 3.617 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 37021593 ITBARCVIOLYFLD-XLIONFOSSA-N 388.533 3.725 0 40 GHAB O=C(Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O)NCc1ccccc1 38486501 OBMYPJPRDHPBJC-UHFFFAOYSA-N 393.443 3.581 0 40 GHAB CCOC(=O)c1ccc2nc(NC(=O)c3c(C)nc4ccccn34)sc2c1 38575472 QSPRIKNXLMYXGF-UHFFFAOYSA-N 380.429 3.681 0 40 GHAB COc1ccc(OCCNC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1 40068772 GBFASNSLZKGVNM-UHFFFAOYSA-N 382.382 3.934 0 40 GHAB O=C(NCc1ccccc1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073328 CSRHGXCFVXAIHD-QGZVFWFLSA-N 377.271 3.914 0 40 GHAB C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1cccc(C(=O)N2CCCC2)c1 40104787 BYYDLBZQDLMSIU-INIZCTEOSA-N 381.476 3.771 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@H](C)NC(=O)c1ccc(Br)o1 40155358 FHECNRIQPMUOIY-VIFPVBQESA-N 385.645 3.761 0 40 GHAB Cc1ccc(NC(=S)c2c(N)nc(N3c4ccccc4C[C@@H]3C)[nH]c2=O)cc1 40385600 OFZBEOJUFCEXSZ-ZDUSSCGKSA-N 391.500 3.531 0 40 GHAB COc1ccc(CCn2ccc3c(cnc4c(-c5ccccc5)cnn43)c2=O)cc1 40387678 DLKGDMUDQUXENV-UHFFFAOYSA-N 396.450 3.963 0 40 GHAB O=C(/C=C/c1ccco1)OCc1nc(-c2ccc(Br)cc2)no1 44836603 YZXQIUNOFALJSI-BQYQJAHWSA-N 375.178 3.849 0 40 GHAB CC(C)[C@H](NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1 45151143 PNTKAHAQZQSVTL-BBRMVZONSA-N 375.410 3.706 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 48249200 XPLWPBDESMAYHV-UHFFFAOYSA-N 379.485 3.781 0 40 GHAB O=C(CSCc1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCCCC2)C1 50660138 OJYKJBPWHUNAPC-KRWDZBQOSA-N 394.968 3.824 0 40 GHAB Cc1ccc(-n2nnc(C(=O)NCc3ccc(Br)cc3)c2C)cc1C 51318246 FMUOLWJNSJBBQV-UHFFFAOYSA-N 399.292 3.885 0 40 GHAB Cc1ccc2nc(CNc3ccc(C(=O)NCC(C)C)c(Cl)c3)cc(=O)n2c1 55886200 RGSLYGRPWMRRIH-UHFFFAOYSA-N 398.894 3.654 0 40 GHAB O=C(NC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1)c1cccnc1 65489293 BOPZKVWQNLUTQT-UHFFFAOYSA-N 393.418 3.515 0 40 GHAB COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCCO)cc1Cl 71816285 VIHALXYXAKTXMX-UVTDQMKNSA-N 394.905 3.879 0 40 GHAB COc1ccc(C2(c3nnc([C@@H]4COc5ccccc5O4)o3)CCOCC2)cc1 71889821 GSMPJPIAXQWDKZ-IBGZPJMESA-N 394.427 3.687 0 40 GHAB COc1cccc(CC(=O)N2CCC[C@H]2c2ccnc3cc(C(C)(C)C)nn23)c1 72391718 FWCXIKZWSZXODL-SFHVURJKSA-N 392.503 3.942 0 40 GHAB Clc1ccc2nc(Nc3ccc(Br)cc3)c3nnnn3c2c1 72422457 DLGXWXMXTVMFIC-UHFFFAOYSA-N 375.617 3.832 0 40 GHAB CCc1ccsc1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 79070284 HXLGEWFRPWHXCK-UHFFFAOYSA-N 392.471 3.757 0 40 GHAB Cc1cc(Oc2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2)n[nH]1 79103330 JAXNWELHICWPLD-UHFFFAOYSA-N 376.416 3.890 0 40 GHAB C[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1cccc(O)c1 82099344 PRESYNMKWMHJLB-QGZVFWFLSA-N 386.451 3.937 0 40 GHAB CS(=O)(=O)Nc1ccc(OC(=O)c2cccc3c4c([nH]c23)CCCC4)cc1 83987592 GOEUFCDFCDORQA-UHFFFAOYSA-N 384.457 3.637 0 40 GHAB O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCC(O)CC2)cc1 84605968 IMDISWYUSRNNCB-UHFFFAOYSA-N 376.456 3.818 0 40 GHAB Cc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)on1 89608758 VFLCYEKUVJUXNH-UHTWSYAYSA-N 382.338 3.676 0 40 GHAB CC(C)[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)N1CCc2sccc2C1 95348961 IETLRCCIZJLBKA-KRWDZBQOSA-N 392.908 3.750 0 40 GHAB CN(C)CCCn1cnc2cc(NC(=O)c3ccc4c(ccn4C)c3)ccc21 95479189 NRUAWNVHNJQYIU-UHFFFAOYSA-N 375.476 3.732 0 40 GHAB CO[C@@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccsc1 96097453 XXNOYGPYEUWBSP-AWEZNQCLSA-N 379.425 3.574 0 40 GHAB O=C(/C=C/c1ccccc1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1 96122407 LSASWEAFMMVBHX-VOTSOKGWSA-N 397.544 3.691 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)C3CCC3)CC2)Oc2ccccc21 96243095 KNKYFVSBYTUGJL-GOSISDBHSA-N 384.520 3.629 0 40 GHAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1)c1cc(F)cc(F)c1 100156092 YFRUTQDNRYOEMA-BETUJISGSA-N 399.401 3.509 0 40 GHAB Cn1cc(Cc2cc(O)n3nc(C(C)(C)C)cc3n2)c(-c2ccc(F)cc2)n1 100776889 BAHMBNRKBZQVOW-UHFFFAOYSA-N 379.439 3.863 0 40 GHAB O=C(COc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)c1ccc(F)cc1 100838567 VAIIDLJAFZXCMF-RTBURBONSA-N 381.403 3.767 0 40 GHAB O=C1C[C@H](N2CCc3c([nH]c4ccc(Cl)cc34)C2)C(=O)N1c1ccccc1 101449151 HMIAUITZUZRRAK-IBGZPJMESA-N 379.847 3.512 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 222802268 BMSPGOXHNRJHRB-OAQYLSRUSA-N 382.504 3.570 0 40 GHAB Cc1ccc(OCCNC(=O)c2ccccc2I)cc1C 223460279 PKWPUTSTIIPIKF-UHFFFAOYSA-N 395.240 3.717 0 40 GHAB Cc1ccc(C(=O)NCCCc2ccco2)cc1NS(=O)(=O)c1ccccc1 224046965 RIEZSPCJJDYYNH-UHFFFAOYSA-N 398.484 3.751 0 40 GHAB CN(c1ccc(Cl)c(C(=O)NC2CC2)c1)S(=O)(=O)c1ccc(Cl)cc1 224346778 DZNZBJZVOQIQNX-UHFFFAOYSA-N 399.299 3.711 0 40 GHAB CSc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1NC(C)=O 225096779 KRFVHJLZOFWPRW-UHFFFAOYSA-N 398.937 3.541 0 40 GHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCOc1ccccc1 225105774 YKEMERWMPONTHB-PGMHBOJBSA-N 390.439 3.554 0 40 GHAB Cc1ccc(CSCCNC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1 225294525 PIGZVFGXOADTSV-UHFFFAOYSA-N 387.574 3.917 0 40 GHAB COC(=O)c1ccc(C)c(NC(=S)NCc2nc(-c3ccc(C)cc3)no2)c1 225817221 QPXKEUBPMOQOQG-UHFFFAOYSA-N 396.472 3.627 0 40 GHAB CCc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 225950693 FXGQHAWXRCVVPZ-QGZVFWFLSA-N 380.897 3.522 0 40 GHAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1ccnc(-c2cccs2)c1 252552020 ULRYZQPSTRQOLR-CYBMUJFWSA-N 382.441 3.623 0 40 GHAB O=C(N1CCC[C@H](Cc2cccnc2)C1)C1(c2ccccc2F)CCOCC1 257219866 DINZFLYNTUDVDJ-LJQANCHMSA-N 382.479 3.750 0 40 GHAB CN(C)C(=O)c1sc2nc([C@@H]3CCCCN3C(=O)C(C)(C)C)ccc2c1N 257247967 JBKWBWITSXXNKZ-AWEZNQCLSA-N 388.537 3.680 0 40 GHAB Cc1cncc([C@H]2CCCN(C(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)C2)n1 257332268 XWMCAGKVECNPIL-YCRPNKLZSA-N 398.894 3.728 0 40 GHAB COc1ccc(CN2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)cc1 306132391 LHIMZLGTCFCALH-UGKGYDQZSA-N 395.480 3.711 0 40 GHAB COc1ccc([C@H](CNC(=O)[C@]2(C)CCCN2)c2c[nH]c3ccccc23)cc1 519652221 JZGXOXYMUJPYPH-CVDCTZTESA-N 377.488 3.567 0 40 GHAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc2oc(O)nc2c1 562180325 PBCOVYQPEDLSIF-QGZVFWFLSA-N 385.851 3.754 0 40 GHAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(Cc1cccc3cccnc13)CC2 567396838 ATJPYRFKKHBAMA-IBGZPJMESA-N 392.455 3.826 0 40 GHAB O=C(NCc1ccncc1OC[C@H]1CCOC1)N[C@H]1CCCC12CCCCC2 585094478 MXYPYQXQSQSGAN-PXNSSMCTSA-N 387.524 3.799 0 40 GHAB CO[C@H]1C[C@H](NC(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)C1 626512032 CVBNSJZPSFNVQR-QRTARXTBSA-N 396.413 3.569 0 40 GHAB O=C(c1nc(-c2ccccc2)oc1C1CC1)N(C[C@H]1CCCO1)c1ccnnc1 1119433998 IMFQAJXJFIQHMA-GOSISDBHSA-N 390.443 3.835 0 40 GHAB O=C(c1cnn2ccccc12)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1890407017 HIPAKCHCYXAJAL-UHFFFAOYSA-N 391.862 3.951 0 40 GHAB C[C@H]1CCCN(C(=O)C2CCN(Cc3cccc(Br)c3)CC2)C1 819248 PLJRZVWOCDYMOI-HNNXBMFYSA-N 379.342 3.920 0 40 GHAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3cccc(C(C)=O)c3)oc2c1 999726 YHWWSYBFCNADDK-GYHWCHFESA-N 377.444 3.813 0 40 GHAB Cc1cc2nnc(SCC(=O)OCCOc3ccccc3)n2c2ccccc12 1924380 LPUOTTQXVKOCSX-UHFFFAOYSA-N 393.468 3.905 0 40 GHAB CCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)ccc12 2148371 NHASSLRMDBROAM-OAHLLOKOSA-N 389.448 3.873 0 40 GHAB biogenic COc1ccc(NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)cc1 2356074 SORTVGAJIUZYBF-UHFFFAOYSA-N 380.444 3.880 0 40 GHAB COCCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2366475 ZVJOWBVXXVIXOU-UHFFFAOYSA-N 396.834 3.613 0 40 GHAB Cc1ccc(Cn2nc(C)c(NC(=O)c3nn4cccnc4c3Cl)c2C)cc1 2794571 IVNXBEDBTPUCSL-UHFFFAOYSA-N 394.866 3.805 0 40 GHAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)CC1=O 3341801 IKHXPJYQEPZGIV-GJZGRUSLSA-N 380.444 3.920 0 40 GHAB COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C(C)C)cc1 3403931 FFNAVAWUBHFWLZ-KRWDZBQOSA-N 378.831 3.881 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c1 3448925 DTXDTCISKQHHRF-UHFFFAOYSA-N 387.439 3.681 0 40 GHAB CC(C)c1ccc(S(=O)(=O)N[C@@H](C(=O)O)C23CC4CC(CC(C4)C2)C3)cc1 3886931 NVHWFSUIZAQYPP-IXYLRAAXSA-N 391.533 3.758 0 40 GHAB in-vitro CCOC(=O)[C@H](CSC(=O)c1cccc(Cl)c1)NC(=O)OC(C)(C)C 4014084 DCCGHTQOVPPDKL-ZDUSSCGKSA-N 387.885 3.670 0 40 GHAB COc1ccc(-n2nc3c(c2NC(=O)c2cc(C)cc(C)c2)C[S@](=O)C3)cc1 4224532 YLSOOFMUWAMZHR-MUUNZHRXSA-N 395.484 3.512 0 40 GHAB COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1 4524838 YSYYMAATHBZJDC-HKUYNNGSSA-N 391.423 3.760 0 40 GHAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)o1 4556236 IKLYFYFUBQUXCU-QFIPXVFZSA-N 379.387 3.735 0 40 GHAB Cc1[nH]nc(O)c1C(c1ccc(OCc2ccccc2)cc1)c1c(O)n[nH]c1C 4663874 YARHBPQUTGUPCV-UHFFFAOYSA-N 390.443 3.920 0 40 GHAB COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC(C)C)c3n2)c1 4669024 OMWHXPQPXQXJPQ-UHFFFAOYSA-N 392.381 3.810 0 40 GHAB Cc1ccccc1-n1c(SCC(=O)O)nc2sc3c(c2c1=O)CCCC3 4812510 KADPKFUHPXTDRV-UHFFFAOYSA-N 386.498 3.811 0 40 GHAB CC(C)(C)n1nnnc1[C@H](c1ccccn1)N1CCC(Cc2ccccc2)CC1 4925553 BDFCRHDZIPSASK-NRFANRHFSA-N 390.535 3.867 0 40 GHAB CCOc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(CC)cc2)cc1 5033764 BDDJZLNJHNJRRQ-AWEZNQCLSA-N 397.504 3.743 0 40 GHAB O=C(C1CC1)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc21 5099573 XZUJEKQUZQSGES-UHFFFAOYSA-N 396.921 3.892 0 40 GHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)OCc2ccc(Cl)cc2)c1 5224924 JWBJLGBRFIZNKQ-UHFFFAOYSA-N 388.880 3.768 0 40 GHAB O=C(Nc1ccc(F)cc1)c1cc2cccnc2n(Cc2ccccc2F)c1=O 5305278 MHTKCIVLSVJSJD-UHFFFAOYSA-N 391.377 3.975 0 40 GHAB O=C(OCC(=O)N1CCCc2ccccc21)c1c2c(nc3ccccc13)CCC2 5985047 VJXIWFZOPFEXLB-UHFFFAOYSA-N 386.451 3.860 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)c1ccc[nH]1 6345056 JQQXQRLQRHXPJA-UHFFFAOYSA-N 379.416 3.828 0 40 GHAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccn1 6356088 UVYJAAWFJKQNJQ-OVMKCGGTSA-N 385.265 3.950 0 40 GHAB Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3c(C)cc(C)cc3C)n2)c1 6760137 REEBGLPOTYMQDN-UHFFFAOYSA-N 385.489 3.791 0 40 GHAB Cc1ccc(C)c(OCC(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)c1 7800548 HOZJNFCPAOCZMM-UHFFFAOYSA-N 398.484 3.972 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 7928144 GACUJCCXWBFRGQ-SFHVURJKSA-N 394.471 3.944 0 40 GHAB O=C(NCc1ccccc1CN1CCCCC1)c1cccc(N2CCCC2=O)c1 7941459 WBQFJEKKALVWSJ-UHFFFAOYSA-N 391.515 3.729 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)N(C)c2ccccc2)cc1 8185167 IGYBGWVWXNWDTR-UHFFFAOYSA-N 390.439 3.989 0 40 GHAB CCc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2OC)cc1 8417439 FVTMNBKSOJUNRH-UHFFFAOYSA-N 398.459 3.548 0 40 GHAB O=C(c1ccc(Br)o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8744920 PCLSMRNUWLVOMY-LBPRGKRZSA-N 378.222 3.791 0 40 GHAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccccc3)cc21 8959638 GVTISFYBYBCFIX-UHFFFAOYSA-N 382.460 3.866 0 40 GHAB CCCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccccc3)cc21 9171846 WVNPCMCZZQTMOO-UHFFFAOYSA-N 388.489 3.649 0 40 GHAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 9355921 HXMSXKJJCAUOBJ-INIZCTEOSA-N 380.469 3.978 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3cccs3)nn2)CC1 9660539 FTRQKNLYJOGOBT-UHFFFAOYSA-N 384.892 3.821 0 40 GHAB CCc1ccc(NC(=O)CN2C(=O)N[C@](CC)(c3ccc(Cl)cc3)C2=O)cc1 9747755 LBBSYJLFOUKTQL-OAQYLSRUSA-N 399.878 3.698 0 40 GHAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 9903425 FMZMZVLIHHITRQ-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1cccnc1)n1nnnc1N2 10336918 ROXBQIJGDPDFAG-SFTDATJTSA-N 398.401 3.767 0 40 GHAB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCO[C@@H](C)C2)cc1 11454825 CUFCEQMJHCRKDW-INIZCTEOSA-N 379.435 3.848 0 40 GHAB C[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccn1-c1cccc(F)c1 12147973 QLZIDIOTLXILOP-INIZCTEOSA-N 382.435 3.728 0 40 GHAB COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(C)c(C)c3)CC1)C[C@@H]2O 12293498 ODYPCQLMKNRRSJ-FCHUYYIVSA-N 397.515 3.696 0 40 GHAB COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(C)c(C)c3)CC1)O2 12293509 BDMRJLAITIJBIC-FCHUYYIVSA-N 397.515 3.696 0 40 GHAB Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)NCc3ccccn3)cc12 12323446 UYXLRCCLAURNNT-UHFFFAOYSA-N 380.444 3.533 0 40 GHAB biogenic C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccncc1 12550924 XTNKSWSSENVKJV-CQSZACIVSA-N 399.447 3.513 0 40 GHAB Nc1ncnc2sc3c(c12)CCN(C(=O)c1csc(-c2cccs2)n1)C3 12606350 UMYHVFRCNYPUKG-UHFFFAOYSA-N 399.526 3.657 0 40 GHAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccn5)CC4)[C@H]3C=C12 12656015 XEMWUXYWWPFRFQ-GUFSWRQHSA-N 395.547 3.518 0 40 GHAB biogenic Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1S(=O)(=O)N(C)C 12681055 YFIINILHBWOXKU-UHFFFAOYSA-N 392.546 3.828 0 40 GHAB O=C(CSc1nnc(C2CC2)o1)Nc1ccccc1C(=O)c1ccccc1 12796441 ZWNBMHBMLNACEP-UHFFFAOYSA-N 379.441 3.909 0 40 GHAB CC(C)(C)C(=O)Nc1ccc(-c2csc(NC(=O)c3cnccn3)n2)cc1 12803462 WTISPCFAEVHLRK-UHFFFAOYSA-N 381.461 3.837 0 40 GHAB Cc1cc(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)n(-c2ccc(F)cc2)n1 12918736 BBDZLDNPFAZBFD-CYBMUJFWSA-N 384.377 3.533 0 40 GHAB COC(=O)c1ccc(CN(C)C(=O)Cc2csc(-c3cccs3)n2)cc1 12940078 GLFWNWSOWCAMQD-UHFFFAOYSA-N 386.498 3.859 0 40 GHAB Cc1ccccc1-c1nnc2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n12 13547404 YZDBHKHNLMMCQC-OVCLIPMQSA-N 388.279 3.981 0 40 GHAB O=S(=O)(Cc1ccc(-c2csnn2)cc1)c1ccc(Br)cc1 15107468 RVQAHSHOIYMEBP-UHFFFAOYSA-N 395.303 3.942 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc2c1=O 15226195 LLMLAXRHJJHDET-UHFFFAOYSA-N 395.484 3.740 0 40 GHAB CCc1ccccc1NC(=O)CCc1nc(-c2ccc(OC)c(OC)c2)no1 15604600 KJSZDKPVHJILKR-UHFFFAOYSA-N 381.432 3.888 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)c(O)n2)c1C 16777144 LFLDOQVJYDYYCF-UHFFFAOYSA-N 380.473 3.516 0 40 GHAB COc1cc2nc3sc(Nc4ccc(Cl)cc4)nn3c(=O)c2cc1OC 16944195 ADYQZGJBUKXWGQ-UHFFFAOYSA-N 388.836 3.718 0 40 GHAB COc1ccc(-c2nnc(NC(=O)COc3ccccc3Cl)s2)cc1 17246776 KDTANZKOJOOPPP-UHFFFAOYSA-N 375.837 3.885 0 40 GHAB Cc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)cc1Br 19619244 DFRTWJRGYBTSSJ-UHFFFAOYSA-N 393.306 3.517 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 19935603 LSKCVEQTYDOSNL-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB COc1ccc2ccccc2c1[S@](=O)N1CCN(Cc2ccccc2)CC1 20404984 XIFLCEQGIKETEC-HHHXNRCGSA-N 380.513 3.689 0 40 GHAB Cc1ccc(C)c(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 20460642 IHYJVWSGSQFMOG-UHFFFAOYSA-N 386.517 3.871 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 20627667 WZDGOSNOJUUPHM-ZBFHGGJFSA-N 388.870 3.970 0 40 GHAB Cc1ccc(-c2csc3ncc(C(=O)NCc4ccccc4)c(=O)n23)cc1 20767987 PKKBSOSOYGHAPE-UHFFFAOYSA-N 375.453 3.661 0 40 GHAB O=C(NCc1cccc(F)c1)c1cc(COc2cccc3cnccc23)on1 20858493 RXHUZWHICVOQRC-UHFFFAOYSA-N 377.375 3.871 0 40 GHAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 21063706 QLLVNOBQMQLRMN-KBPBESRZSA-N 389.927 3.814 0 40 GHAB COc1ccc(NC(=O)NCCC(=O)Nc2ccccc2Br)cc1 21891865 OZNVXJQIDMJEKT-UHFFFAOYSA-N 392.253 3.608 0 40 GHAB CC(C)n1ncc2cc(NC(=O)COc3cccc(Br)c3)cnc21 22258239 PEPRBVDPVYZNTG-UHFFFAOYSA-N 389.253 3.792 0 40 GHAB COc1ccc(CN2CCCN(C(=O)c3cccc4ncccc34)CC2)cc1 23245928 ZXYNLXQSQHMJBC-UHFFFAOYSA-N 375.472 3.592 0 40 GHAB CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cn2)[C@H]1c1ccc(OC)cc1 24840636 ITXMEMBJJOFTPS-WIYYLYMNSA-N 381.476 3.727 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@@H]3c3ccncc3)C2)cc1 25094443 WOYHFVIIKYKEOX-LEWJYISDSA-N 377.488 3.606 0 40 GHAB CCOc1cc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)ccc1OC 25460434 PCTNBKUDEXRYNA-UHFFFAOYSA-N 382.504 3.661 0 40 GHAB Cc1ccccc1-c1nc(NC(=O)COc2ccc(Br)cc2)no1 28404814 KDRMNDHEBZSOMU-UHFFFAOYSA-N 388.221 3.825 0 40 GHAB COc1ccc(CSc2nnc(Nc3ccc(Cl)cc3)c(=O)n2C)cc1 28538548 OYYXEVUJLFUYRZ-UHFFFAOYSA-N 388.880 3.873 0 40 GHAB O=C(Cc1ccc(Br)cc1)NCCCN1CCc2ccccc2C1 29839151 OFZUCFKUWBMBGF-UHFFFAOYSA-N 387.321 3.556 0 40 GHAB CN1CCN(C(=O)c2cc(F)ccc2Br)[C@@H](c2ccccc2)C1 30030024 WNJWOJNDYCFYGZ-QGZVFWFLSA-N 377.257 3.717 0 40 GHAB Cc1ccc(OCCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(C)c1 32461526 PJMCILMJXYGSGI-UHFFFAOYSA-N 396.535 3.643 0 40 GHAB Cc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)O)sc1Br 32586620 PBDIQUVWAZAQDU-UHFFFAOYSA-N 390.280 3.626 0 40 GHAB Cc1ccc(C)c(N2C(SCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32640583 HDBDLERKGLNQEI-IEBWSBKVSA-N 386.542 3.578 0 40 GHAB O=C(CSc1nc2ccccc2s1)N1CCN(Cc2cccs2)CC1 32722545 ZPJCNNRYMQQBDV-UHFFFAOYSA-N 389.571 3.794 0 40 GHAB COc1cc(CN(C)Cc2nc(Cc3ccccc3)no2)ccc1OC(F)F 32929533 HVVPVIUNQBHCOY-UHFFFAOYSA-N 389.402 3.902 0 40 GHAB COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)c1cnccn1 35290136 FKCXOXHNGXVXJB-UHFFFAOYSA-N 384.867 3.584 0 40 GHAB Cc1cc(C)c2cc(C)c3nnc(SCC(=O)Nc4nnc(C)s4)n3c2c1 35313324 DZBJUDPPYGFIKE-UHFFFAOYSA-N 398.517 3.698 0 40 GHAB COCCNc1cc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)ccn1 35424543 AVPLOEOCWBIYTO-SFHVURJKSA-N 379.464 3.527 0 40 GHAB biogenic,in-vitro Cc1ccccc1Oc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1 36293776 SLVDFVKLVVTVSA-UHFFFAOYSA-N 389.473 3.853 0 40 GHAB O=C([C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2)N1CCOCC1 36365118 YSPSNNSJIZEGTR-NRFANRHFSA-N 390.483 3.602 0 40 GHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cc(C)n(C(C)C)n3)c12 36615881 KMCQFFNNRLVIPB-UHFFFAOYSA-N 378.436 3.875 0 40 GHAB COc1ccc(CCC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1OC 40122068 KPRKMLDEHQCMFJ-UHFFFAOYSA-N 397.519 3.728 0 40 GHAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H](Oc1ccccc1)c1ccccc1 40131468 PGHFHJAGCRFDMF-QFIPXVFZSA-N 375.424 3.894 0 40 GHAB COc1cccc(-c2nc(CS(=O)(=O)c3nc(C)cs3)cs2)c1OC 40152133 RTFQZWHUKGOTPH-UHFFFAOYSA-N 396.515 3.566 0 40 GHAB CN(C[C@@H]1CCCN(C(=O)NCCc2ccc(F)cc2)C1)C(=O)OC(C)(C)C 40158437 NTIIUFPBWUABPH-KRWDZBQOSA-N 393.503 3.657 0 40 GHAB NC(=O)c1ccccc1NC(=O)c1csc(COc2ccc(Cl)cc2)n1 42659178 WJHBFSIOBZHRHT-UHFFFAOYSA-N 387.848 3.727 0 40 GHAB Cc1nc2ccc(NC(=O)NCCc3cc(F)cc4c3OCOC4)cc2s1 47718232 HZHRWARPRNIOHD-UHFFFAOYSA-N 387.436 3.975 0 40 GHAB Cc1cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(C)n1-c1nccs1 48311183 VBROAWFHJRVLLU-UHFFFAOYSA-N 398.875 3.797 0 40 GHAB COc1cc(CNC(=O)c2ccnc(Cl)c2)ccc1OCc1ccncc1 48446794 SXPKIXHYHHHZGR-UHFFFAOYSA-N 383.835 3.648 0 40 GHAB Cc1noc(C)c1CCC(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1 49362996 SYHYOPYHRIHZAC-UHFFFAOYSA-N 386.477 3.742 0 40 GHAB CCc1noc(-c2ccnc(SCC(=O)Nc3cccc(C(C)=O)c3)c2)n1 49405405 IEPPCNRQYRAKPC-UHFFFAOYSA-N 382.445 3.627 0 40 GHAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc2ccccc12 55019938 GAWWVUKHBYVRRX-UHFFFAOYSA-N 375.472 3.751 0 40 GHAB CCS(=O)(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1 56198850 MOJFVGHDMWOGEZ-HNNXBMFYSA-N 375.494 3.504 0 40 GHAB CCc1cccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(CC)cc2=O)c1 57508206 JEFQXQHUCLXCQK-UHFFFAOYSA-N 379.435 3.813 0 40 GHAB CCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)/C=C/c1csc(C)n1 58019006 LWNPBZAULVKYME-CMDGGOBGSA-N 378.881 3.710 0 40 GHAB CCNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc2ccccc2c1 58158051 QQBJPSBUSRFCTE-OAQYLSRUSA-N 375.472 3.859 0 40 GHAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(n2cncn2)CC1 60297225 UVCRVPUZZYTDKZ-UHFFFAOYSA-N 392.303 3.793 0 40 GHAB COc1ccc(-c2cc3c(=O)n(Cc4cccc(C)c4)ccn3n2)cc1OC 64977535 KZYAXQIJNZNLTC-UHFFFAOYSA-N 375.428 3.537 0 40 GHAB C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC[C@H](c2ccccc2)C1 69879471 FQHHULXIJYTSBW-MJGOQNOKSA-N 377.488 3.630 0 40 GHAB COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2CCCCC2)c1 79112485 MHKOJNDTBYODLS-LJQANCHMSA-N 383.517 3.920 0 40 GHAB Cc1ccc2ncc(CN3CCC[C@H](CNC(=O)Nc4cccc(F)c4)C3)n2c1 92709064 FJRRNQLOPAECJV-QGZVFWFLSA-N 395.482 3.816 0 40 GHAB O=C(c1cc(Cl)ccc1F)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 95369552 SDGDIZYRYJXOJU-IRXDYDNUSA-N 386.854 3.567 0 40 GHAB O=C(C1=Cc2cc(Cl)ccc2OC1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 95451202 VZHNWPBGKHTNAS-MAUKXSAKSA-N 391.801 3.729 0 40 GHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 95482269 MBEDZCIGIHEMFG-GFCCVEGCSA-N 389.814 3.955 0 40 GHAB COc1ccc(CNS(=O)(=O)c2cc(Br)c(C)cc2C)cc1 95945923 URVFLGAFRWAEKJ-UHFFFAOYSA-N 384.295 3.553 0 40 GHAB O=C(Nc1cc(Cl)ccn1)c1cccc(NS(=O)(=O)c2cccs2)c1 95959630 ODYQSQSQJMPBLP-UHFFFAOYSA-N 393.877 3.850 0 40 GHAB CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2csc(C(C)C)n2)C1 96000033 FORUHNGJXQRYCH-ZDUSSCGKSA-N 376.530 3.511 0 40 GHAB Cc1cc2nc(CO[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]3F)[nH]c2cc1C 96112341 SIUBGYMAHPSRMF-IERDGZPVSA-N 397.450 3.648 0 40 GHAB biogenic,in-vitro CSCC[C@H](NC(=O)c1n[nH]c2c1CCCCC2)c1nc2ccccc2[nH]1 96231936 CVJVXVFPJOQWDG-KRWDZBQOSA-N 383.521 3.779 0 40 GHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)N3CC[C@H](N)C3)cc12 97228901 SXITXQQQODRREB-LBPRGKRZSA-N 394.422 3.587 0 40 GHAB Cn1ccc(C(=O)N2[C@H](COc3cccc(C(F)(F)F)c3)[C@@H]3CC[C@@H]2C3)n1 100112636 JIQHICKMYATYOC-SUYBPPKGSA-N 379.382 3.511 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 100917677 MPPRMKQPZPPZQF-HBMCJLEFSA-N 388.398 3.877 0 40 GHAB O=C1C[C@@H](Nc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 101076882 YMMKFZIJKRJQFE-CQSZACIVSA-N 379.641 3.847 0 40 GHAB COCCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2c1cnn2C 101618550 SPFYUEPUPLCUIP-UHFFFAOYSA-N 381.267 3.862 0 40 GHAB CCOC[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218512628 VUMLLWYHCNZSSR-AABGKKOBSA-N 393.936 3.570 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 222394531 AQYBHLIRAXJPTO-SFHVURJKSA-N 384.545 3.700 0 40 GHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 223076159 MBGGVTLRPMUNIY-NHCUHLMSSA-N 392.528 3.881 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc21 223254156 OGDLOOGTFVVDFK-OAHLLOKOSA-N 398.528 3.514 0 40 GHAB COCc1cccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 223853379 WYDVNCSCXWOHSO-UHFFFAOYSA-N 376.261 3.949 0 40 GHAB Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225470221 YLSRKFVVMUUGEB-IBGZPJMESA-N 382.504 3.624 0 40 GHAB CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1 225930930 JOTHAHZAIBWLAK-UHFFFAOYSA-N 388.533 3.905 0 40 GHAB COc1cc(/C=C/C(N)=O)cc(Br)c1OCc1ccccc1F 226335547 QSSYFHLGAYPVTF-VOTSOKGWSA-N 380.213 3.674 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1CC[C@H](OC)CC1 257219798 DIFKRUFSSXVMIS-QRFRQXIXSA-N 397.519 3.639 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)/C=C/c3ccccc3)C2)ncn1 257287887 PRWRZOZIVLESGP-CSHXORCISA-N 388.471 3.853 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)cn1 257342567 ZPGGYDCGFZQVJZ-GOSISDBHSA-N 382.851 3.995 0 40 GHAB O=C(c1cc(Cl)ccc1Cl)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390828418 AXSWGCHCWLGGQO-QGZVFWFLSA-N 398.311 3.995 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1NC(C)=O 408559980 NWXRWOWHVVCZGU-UHFFFAOYSA-N 398.868 3.507 0 40 GHAB COc1ccc(-c2nnc(CN(C)C(=O)c3cc(C)ccc3C)o2)cc1OC 408714462 RFUDNCULJBUQHR-UHFFFAOYSA-N 381.432 3.643 0 40 GHAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2C)C1=O 409318460 WQFAKPPBFDVDIP-GZTJUZNOSA-N 382.441 3.679 0 40 GHAB COc1cc(Cc2noc([C@H](c3ccccc3)C3CC3)n2)ccc1S(C)(=O)=O 547110961 GFSLCRJIEIFDOR-HXUWFJFHSA-N 398.484 3.614 0 40 GHAB CCn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cc(-c2ccc(F)cc2)nc(C)n1 622883107 MNTJOVIKJKZHPT-OXQOHEQNSA-N 395.438 3.524 0 40 GHAB Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N[C@@H]2CC(C)(C)CCc3ccccc32)n1 623996335 BQJJIVONYXWSOM-RCCFBDPRSA-N 384.480 3.611 0 40 GHAB O=C(O)c1sccc1CN1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 634695489 VMSIXZKRYDXWLR-HOTGVXAUSA-N 393.455 3.825 0 40 GHAB CN(CC1CCOCC1)C(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F 649886957 WPNZOMRIMKUABT-UHFFFAOYSA-N 394.397 3.738 0 40 GHAB O=C(c1ccc2nc(C(F)F)[nH]c2c1)N1CCO[C@@]2(CCc3ccccc32)C1 677123186 FRASRGPCELNOEG-NRFANRHFSA-N 383.398 3.815 0 40 GHAB COc1ccccc1[C@@H]1[C@H](C(=O)NC(C)C)SCC(=O)N1C1CCCCC1 952964783 OHCDKRKOHKXZND-WOJBJXKFSA-N 390.549 3.538 0 40 GHAB CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(O)c(Cl)c1)c1c[nH]c3cccc(c13)N2 1547138689 PUTPYUCWPGRCLC-SFHVURJKSA-N 393.830 3.727 0 40 GHAB biogenic O[C@@]1(c2nc(-c3ccsc3)no2)CCc2cc(Br)ccc2C1 1616043360 ZEHSQCXKZNENKO-INIZCTEOSA-N 377.263 3.937 0 40 GHAB COc1c[nH]nc1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 1631758993 UXCUKKXFXKOEPI-UHFFFAOYSA-N 387.443 3.891 0 40 GHAB COc1ccc2c(=O)n(CC3CCN(Cc4ccccc4C)CC3)cnc2c1 1889253722 GWSROEIXOSBMKV-UHFFFAOYSA-N 377.488 3.626 0 40 GHAB Cc1ccc(OCC2(O)CCN(C(=O)c3c(C(C)C)noc3C)CC2)cc1C 2037916205 UVWIOJUJFRUHTK-UHFFFAOYSA-N 386.492 3.769 0 40 GHAB O=C(c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)N1CCCC1 3186686 FIJCOFJGGPWIJD-UHFFFAOYSA-N 398.406 3.742 0 40 GHAB O=C(CCNc1ncnc2sccc12)Nc1ccc(Br)cc1 54125144 HKFFNNPMSWPJFC-UHFFFAOYSA-N 377.267 3.895 0 40 GHAB COCCn1ccc2c(C(=O)NCCc3c[nH]c4ccc(OC)cc34)cccc21 79191397 HSCLHNJMTJKJMO-UHFFFAOYSA-N 391.471 3.750 0 40 GHAB biogenic Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O 933475 OBNKOVORJNYDBK-UHFFFAOYSA-N 393.390 3.683 0 40 GHAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(NS(C)(=O)=O)c1 23490369 XZRGPSPLUPAXTD-UHFFFAOYSA-N 387.288 3.637 0 40 GHAB COc1cc(C=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 2765840 HAKBGTXBMMHNFU-UHFFFAOYSA-N 378.222 3.596 0 40 GHAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1 1006070 GFVZRWXJDZLBPQ-GZTJUZNOSA-N 384.457 3.774 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)c(C)c1 4313105 FVAZHGFOSSHRCS-BDTNDASRSA-N 399.450 3.750 0 40 GHAB CCC(=O)c1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)cc1 4320413 CTSCDVGXOUUSJP-QFIPXVFZSA-N 381.516 3.974 0 40 GHAB CCCn1c(NC(=O)c2ccc(CN3CCOCC3)cc2)nc2ccccc21 12559053 HHWIOUYKKMICQV-UHFFFAOYSA-N 378.476 3.531 0 40 GHAB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OC 6672616 OGFRFIHRFNTSAE-CAOOACKPSA-N 380.744 3.620 0 40 GHAB Cc1cc(F)ccc1NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 6876388 BNTLQTCBWBPEQC-UHFFFAOYSA-N 384.363 3.673 0 40 GHAB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 6970039 JTKQFGZMSXFBKQ-MHWRWJLKSA-N 393.786 3.661 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccccc1N1CCOCC1 12533581 BHYSJABUDSNKJU-UHFFFAOYSA-N 390.487 3.507 0 40 GHAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)C(CCC)CCC 8940212 DYVZWLCREZLUBB-UHFFFAOYSA-N 392.573 3.703 0 40 GHAB COC(=O)c1c(NC(=O)CN[C@H](C)c2ccc(Cl)cc2)sc2c1CCC2 57315489 XGSRYDVGTTZDFZ-LLVKDONJSA-N 392.908 3.966 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC 1943776 SNTJSXQZBOXQFX-CMDGGOBGSA-N 399.443 3.524 0 40 GHAB Cc1cc(C)n(-c2ccc(CNC(=O)N3CC[C@@H](c4ccccc4)C3)cn2)n1 58209744 FHEKALHVVNVAIC-HXUWFJFHSA-N 375.476 3.583 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3OC(C)C)ccc21 55590371 HNLJNFVUBTUEFN-UHFFFAOYSA-N 388.489 3.574 0 40 GHAB C[C@@H](NC(=O)c1csc(-c2cnn(C)c2)n1)c1ccccc1Br 44848235 TTXDKBJTNVBPIT-SNVBAGLBSA-N 391.294 3.797 0 40 GHAB O=C(c1cnc2ccccc2n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 48234958 IADVYKAYOFZZHS-UHFFFAOYSA-N 386.377 3.611 0 40 GHAB COc1ccc(CCC2CCN(S(=O)(=O)c3ccccc3C=O)CC2)cc1 58248807 SEEMDHSADYNQBC-UHFFFAOYSA-N 387.501 3.541 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(C(=O)N2CCCC2)cc1 12754424 ATKDDNHPVQLAEA-UHFFFAOYSA-N 390.405 3.800 0 40 GHAB CC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 3329878 BLCXZWFEOHVEQQ-LLVKDONJSA-N 394.349 3.848 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1OCC 36385550 UWNIBURFDCMRGH-ZMSDIMECSA-N 377.481 3.582 0 40 GHAB O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@H]1COc2ccccc2O1 58770722 HUGGBGGNNBGSGT-MAUKXSAKSA-N 375.371 3.622 0 40 GHAB O=C(OCc1noc(-c2ccco2)n1)c1csc(NCc2ccccc2)n1 24046344 OQMBXBRAQDNIOA-UHFFFAOYSA-N 382.401 3.755 0 40 GHAB CCCc1n[nH]c(SCc2cc(=O)oc3cc(Br)ccc23)n1 11808037 CTUOLNCSOZXQLL-UHFFFAOYSA-N 380.267 3.918 0 40 GHAB Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3CCCc4ccccc43)[nH]n2)cc1 12110576 ISIXSVTYAUVUCQ-INIZCTEOSA-N 389.455 3.910 0 40 GHAB Cc1ccnc(NC(=O)c2ccn(COc3ccc(Br)cc3)n2)c1 2787991 ILOPBXTUIOZOIR-UHFFFAOYSA-N 387.237 3.638 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 3525854 ZKFSWTCEWJKIGN-CQSZACIVSA-N 385.847 3.824 0 40 GHAB CSc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCCCO4)CC2=O)cc1 12980292 UVXRKCXYTSEDFO-AWEZNQCLSA-N 398.484 3.561 0 40 GHAB COCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 9243039 HJHWYZYICDKBAM-UHFFFAOYSA-N 384.863 3.779 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2N)c(C)n1C[C@@H]1CCCO1 6059869 WEBVUTUIZRJOJY-HNNXBMFYSA-N 390.867 3.559 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 5042903 AHDLEHNSDIJWDR-OXJNMPFZSA-N 379.456 3.769 0 40 GHAB CC1CCN(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 5079499 UKFMKYLZFKRTAD-UHFFFAOYSA-N 399.874 3.986 0 40 GHAB Cc1ccc([C@H]2CCCN2C(=O)c2ccc3c(=O)[nH]c(S)nc3c2)cc1C 65489203 DTRPJNDQNLBZOF-GOSISDBHSA-N 379.485 3.806 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 6315297 ZGBFFJPLTUEFRW-UHFFFAOYSA-N 394.452 3.942 0 40 GHAB COc1ccc2c(C)c(CC(=O)NC3CCCCCCC3)c(=O)oc2c1OC 5348057 VMJMRNMYQMZUBW-UHFFFAOYSA-N 387.476 3.890 0 40 GHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@@H](C)CCCC(C)C 14231723 OTMZKJKVDGEJAT-NSHDSACASA-N 385.434 3.633 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(NC(=O)C2CC2)s1 14526275 LRWJHTWBDYRYFX-ZDUSSCGKSA-N 395.488 3.511 0 40 GHAB COc1cc(C)cc2oc(=O)c(CC(=O)NCc3cccc(Cl)c3)c(C)c12 4743200 CBRUYNRJQDIDNP-UHFFFAOYSA-N 385.847 3.931 0 40 GHAB COc1cccc(-c2nc(CC(=O)OCC(=O)Nc3ccccc3)cs2)c1 6942072 NCBONPBPACZSSV-UHFFFAOYSA-N 382.441 3.543 0 40 GHAB O=C([C@@H]1CN(Cc2cc(-c3ccco3)on2)c2ccccc2O1)N1CCCCC1 7252329 XECQOCSWVDFKLZ-NRFANRHFSA-N 393.443 3.715 0 40 GHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1nn(-c2ccc(F)cc2)ccc1=O 68087926 NWTAOXBAWRWMGV-AWEZNQCLSA-N 391.402 3.951 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2=O)cc1 7976720 PCTIIGUCWBLNTC-ZDUSSCGKSA-N 378.350 3.885 0 40 GHAB COc1ccc(-c2noc(CNC(=O)CCSc3ccc(C)cc3)n2)cc1 95482227 BAYRVEOGECHKSQ-UHFFFAOYSA-N 383.473 3.852 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)NCCc1cc(F)cc2c1OCOC2 71956557 IEMWIOKZSRZCOG-UHFFFAOYSA-N 394.446 3.759 0 40 GHAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](CN5CC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 118929632 CJUKMDBJDPZAEN-WSDCWZIASA-N 385.548 3.992 0 40 GHAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O 409344513 GTHQAUQOKMOWGS-WQRHYEAKSA-N 396.468 3.987 0 40 GHAB C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2O)CC1 83927536 HCBCLDMGSPXXGV-ZDUSSCGKSA-N 394.302 3.848 0 40 GHAB CNc1nnc(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)s1 8767553 OHVKTZZUJFUNAZ-JTQLQIEISA-N 383.568 3.883 0 40 GHAB COc1ccc(OCCCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 8882690 NMUNXPOSJYSBPB-LJQANCHMSA-N 388.533 3.869 0 40 GHAB COc1ccc2c(c1)OCC(/C=C1/N=C(c3ccc(OC(F)F)cc3)OC1=O)=C2 96939637 WQPNQDIPLQCZFL-RQZCQDPDSA-N 399.349 3.960 0 40 GHAB COc1cccc(CO[C@@H](C)C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1 96998279 HYAAJODMHKQNLE-INIZCTEOSA-N 391.471 3.913 0 40 GHAB O=C(Nc1ccc(CN(C(=O)[C@@H]2CCCO2)c2ccccc2)cc1)[C@H]1CCCO1 72307978 STIQUBIHPMACSE-RTWAWAEBSA-N 394.471 3.516 0 40 GHAB CSc1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22393378 JVLUPCQTQKHCNQ-UHFFFAOYSA-N 392.546 3.937 0 40 GHAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1c(OC)ccc2ccccc12 408606629 JIHFLZGGBUJGDC-LJQANCHMSA-N 383.517 3.510 0 40 GHAB O=C(COc1ccccc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 23137333 GGNMMNQWAPXKOD-UHFFFAOYSA-N 399.541 3.595 0 40 GHAB Cc1ccc(CC(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1 62580387 VNSQJWWBDAPYRQ-UHFFFAOYSA-N 380.469 3.977 0 40 GHAB CCCN1C(=O)S/C(=C\c2cn(CC(=O)N(CC)CC)c3ccccc23)C1=O 409136559 XJHLFUXUMMFBPB-PDGQHHTCSA-N 399.516 3.956 0 40 GHAB COc1cccc(C(=S)N2CCOCC2)c1OCc1ccccc1Cl 408572147 FKICKBBSJGVMGO-UHFFFAOYSA-N 377.893 3.935 0 40 GHAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 33784268 XVWXMRRAEODVEC-UHFFFAOYSA-N 396.468 3.813 0 40 GHAB C[C@H](NC(=O)N1CCC(C)(N2CCOCC2)CC1)c1ccccc1C(F)(F)F 527696590 ULHMMZHPBFKTCF-HNNXBMFYSA-N 399.457 3.663 0 40 GHAB O=C(O)COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409123732 HSJPLRAEIIJAHO-MHWRWJLKSA-N 375.446 3.767 0 40 GHAB Cn1ncc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)c1N 1543217187 RAARIXUUAJVEHW-UHFFFAOYSA-N 382.276 3.609 0 40 GHAB CCSc1ccccc1NC(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 30861099 PTUYDBIYCVBHPJ-UHFFFAOYSA-N 392.546 3.766 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2ccnc(Nc3cncnc3)n2)C1 72377551 IVPUJNRZVXBIOS-HNNXBMFYSA-N 394.866 3.683 0 40 GHAB COc1ccccc1Cc1cccc(C2CCN(C(=O)c3c[nH]nc3C)CC2)n1 72349763 DNZUYWOAGIRFSO-UHFFFAOYSA-N 390.487 3.732 0 40 GHAB CC(=O)N1CC2=C(C1=O)[C@H](c1ccc3ncccc3c1)c1c[nH]c3cccc(c13)N2 1547139466 QLZBJGPVUSLNRN-OAQYLSRUSA-N 394.434 3.916 0 40 GHAB biogenic CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 219061448 VHUNWWRUTBQNMO-CXAGYDPISA-N 395.908 3.778 0 40 GHAB CC(=O)N1c2ccc(-c3csc(NC(=O)c4ccncc4)n3)cc2C[C@H]1C 35315608 XBCUMXXSUABADZ-GFCCVEGCSA-N 378.457 3.755 0 40 GHAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 72356174 SXBOADPDDCFJAT-SFHVURJKSA-N 378.451 3.863 0 40 GHAB CC(C)Oc1cccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222498201 ZDRMKUCJRQUZAT-UHFFFAOYSA-N 396.896 3.775 0 40 GHAB S=C(Nc1nc(N2CCCCCC2)cc(N2CCCC2)n1)NC1CCCC1 226005316 LLLFIVPZBGSPOE-UHFFFAOYSA-N 388.585 3.686 0 40 GHAB O=C(CCc1nc(Cc2ccccc2)no1)Oc1ccc(Br)cc1 40128213 FBQGFQPAOCIDQZ-UHFFFAOYSA-N 387.233 3.961 0 40 GHAB COc1ccc(CCCNC(=O)CSCc2ccccc2F)cc1OC 222710759 RUZUVGJIZZYDSS-UHFFFAOYSA-N 377.481 3.825 0 40 GHAB Cn1ccnc1[C@@H]1N(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1(C)C 575971325 SQVJPHHLYFRIQO-AWEZNQCLSA-N 381.402 3.513 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 225484132 BIFPIQUEWHNHKU-PGRDOPGGSA-N 396.531 3.960 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cccc2ccccc12 222620831 NESAYPVAHSBDAV-INIZCTEOSA-N 394.446 3.521 0 40 GHAB Cc1cccc(OCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1C 223960461 ASMHAXXXXFZOQR-HXUWFJFHSA-N 384.495 3.850 0 40 GHAB COc1ccc(CCC(=O)NCc2cccc(CN3CCCCC3)c2)cc1OC 224681247 ZNNDWCXELLYJMI-UHFFFAOYSA-N 396.531 3.939 0 40 GHAB CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc(Br)c2)CC1 49999779 VDVASHHQEXSJCQ-UHFFFAOYSA-N 383.286 3.578 0 40 GHAB CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCCCC2)n1 225883270 ZABCUKFJBSOPKM-UHFFFAOYSA-N 376.574 3.544 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cccc(Cl)c1 223010371 GKOFEFUUILVFJW-LJQANCHMSA-N 388.895 3.581 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 225008413 UCNDFBCNUOQSOJ-LJQANCHMSA-N 396.531 3.798 0 40 GHAB CN(c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(Cl)c1)S(C)(=O)=O 222521678 CSSUWQDEKUUVGA-GOSISDBHSA-N 392.908 3.543 0 40 GHAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3cc(C)c(C)cc3C)ccc21 223494259 XEYXXQNBJPLPEP-INIZCTEOSA-N 386.517 3.560 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2C[C@@H](C)C[C@H](C)C2)cc(C(F)(F)F)n1 225893103 RDUKHRSCAPIJJH-RYUDHWBXSA-N 389.491 3.920 0 40 GHAB C[C@]1(CCc2ccccc2)NC(=S)N(c2ccc(Br)cc2)N1 225348907 WLQBJNSNHDGNHM-KRWDZBQOSA-N 376.323 3.997 0 40 GHAB COc1cccc(CN2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)c1 96269018 COZMEEJEUVWOFN-LJQANCHMSA-N 381.394 3.994 0 40 GHAB biogenic,in-vitro CN1CCCN(C(=O)c2cc(-c3cn(-c4ccccc4)cn3)n3ccccc23)CC1 96154933 IHMQLTPNFUATDT-UHFFFAOYSA-N 399.498 3.570 0 40 GHAB CC(C)n1cnc2c1[C@H](C(=O)NCc1cccs1)N(Cc1ccccc1)CC2 96265011 JBPJBZPLIIMXOZ-OAQYLSRUSA-N 394.544 3.941 0 40 GHAB COCCOc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc1 257225765 FHSAIRJELVKWNK-JJYSZZJESA-N 387.520 3.730 0 40 GHAB C[C@@H]1CCCCN1CCOc1ccccc1C(=O)Nc1ccc2c(c1)CC(=O)N2 603690988 HFXSQSRMXHSUOC-MRXNPFEDSA-N 393.487 3.687 0 40 GHAB CCOc1ncccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 96098426 VBBSQSWDWHJGTK-UHFFFAOYSA-N 377.400 3.529 0 40 GHAB O=C(Nc1cccc(OCc2cscn2)c1)N[C@@H]1CCO[C@H]1c1ccncc1 626346496 RGDADEWCTOJCHY-MOPGFXCFSA-N 396.472 3.769 0 40 GHAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)c1cc(Br)cs1 390827769 KAHOKYBVOVQGGI-OAHLLOKOSA-N 398.303 3.831 0 40 GHAB Cc1c(C(=O)NC[C@H]2CCN(c3ccccc3)C2)cnn1-c1ccccc1F 31235498 KOWYPZJXYFTPMA-QGZVFWFLSA-N 378.451 3.576 0 40 GHAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 40112965 IMHYGGCYOIOXRC-ZDUSSCGKSA-N 393.318 3.747 0 40 GHAB COc1cccc([C@@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C(C)(C)C)c1 79013737 DCALRIBZVFQTMF-OXQOHEQNSA-N 384.476 3.540 0 40 GHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC(=O)Nc1ccccc1F 5507859 XWEKGIOCADDZAX-UHFFFAOYSA-N 392.386 3.784 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(C(F)(F)F)c2)NC(=O)N1 5517349 CAVUUEWFWKXYFQ-MRXNPFEDSA-N 375.350 3.972 0 40 GHAB O=C(NC1CCN(C[C@@H](c2ccccc2)C2CCCC2)CC1)C1CCOCC1 12188815 RJLWHKCUXHRJAD-QHCPKHFHSA-N 384.564 3.968 0 40 GHAB O=C(Oc1ccc2c(c1)CCC2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 12616785 AJVWBJVGRWAEJZ-UHFFFAOYSA-N 385.485 3.569 0 40 GHAB COc1ccc(CN(Cc2ccc3c(c2)CCO3)C[C@H]2CCCO2)cc1OC 13994230 DWIDSLRLIPOLED-HXUWFJFHSA-N 383.488 3.820 0 40 GHAB CN(Cc1cccs1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 15385122 PSOCHIDAPRLJCL-UHFFFAOYSA-N 392.527 3.883 0 40 GHAB CC(C)c1cc(C(=O)N2Cc3ccccc3OC3(CCC(N(C)C)CC3)C2)[nH]n1 19451931 IALZFLYXJRCFCG-UHFFFAOYSA-N 396.535 3.811 0 40 GHAB CCN1C[C@H](C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)CC1=O 19527000 KUOZQEFXMCMJOA-GFCCVEGCSA-N 397.422 3.560 0 40 GHAB COc1ccc2c(c1)OC1(CCN(C(=O)CCc3ccccc3)CC1)CC2=O 19562942 IVCIMBKLLJPECL-UHFFFAOYSA-N 379.456 3.654 0 40 GHAB NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C2CCCC2)CC1 19700330 MUDMWUWUTIKOBD-UHFFFAOYSA-N 391.515 3.575 0 40 GHAB COC(=O)c1c(C)nc2ccn(-c3ccncc3)c(=O)c2c1-c1cccc(C)c1 19821616 IEHBEPKJJCMCEY-UHFFFAOYSA-N 385.423 3.851 0 40 GHAB O=C1N/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1c1ccccc1 208531123 KUGBPWCXJCXRGT-QPEQYQDCSA-N 393.624 3.905 0 40 GHAB O=C(c1cccc(C(F)(F)F)c1)N1[C@H]2CC[C@H]1CC(O)(c1cccnc1F)C2 100142598 LNELEMJZMDHTOE-GJZGRUSLSA-N 394.368 3.894 0 40 GHAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1c(F)cccc1Cl 225737871 SIJUXJNWWMCRKK-UHFFFAOYSA-N 388.874 3.547 0 40 GHAB O=C(Cn1c(C(=O)c2ccccc2)nc2ccccc21)NCCc1ccccc1 12376305 PXHLOLMVLMSNKI-UHFFFAOYSA-N 383.451 3.626 0 40 GHAB biogenic,in-vitro CN1Cc2ccccc2CC2(CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1=O 1565550561 CUBJDUNWXVSZGP-UHFFFAOYSA-N 396.918 3.706 0 40 GHAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)Cc3cccs3)co2)n1 4377363 YKQUEUQHFNCDBA-UHFFFAOYSA-N 388.470 3.549 0 40 GHAB CCCCCn1c(=O)[nH]c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c1=O 4792046 OJEFFPQMYQKYDY-UHFFFAOYSA-N 379.460 3.749 0 40 GHAB CCOc1ccccc1C(=O)NCCc1csc2nc(-c3cccs3)nn12 5166175 JSKHXZDINLSMON-UHFFFAOYSA-N 398.513 3.891 0 40 GHAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)C(=O)Nc1ccccc1Cl 5252861 CCYLPWVZSKGKHM-UHFFFAOYSA-N 397.862 3.606 0 40 GHAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCc1ccc(C)cc1 5255040 FXMKAARSOLSVLX-UHFFFAOYSA-N 378.428 3.605 0 40 GHAB O=C(COc1cccc2ccc(N3CCOCC3)nc12)Nc1cccc(Cl)c1 8769660 DVJXCEBKLCCBST-UHFFFAOYSA-N 397.862 3.742 0 40 GHAB COC(=O)C12C[C@H]3C[C@@H](CC(NC(=O)c4cc(-c5ccccc5)on4)(C3)C1)C2 101415521 SVQYJHFXZNKJAA-ZNAOMFPMSA-N 380.444 3.583 0 40 GHAB C[C@@H](C(=O)Nc1nc2c(s1)CCCC2)n1nc(-c2ccc(F)cc2)ccc1=O 49025899 XIYSVRWALMBTGT-LBPRGKRZSA-N 398.463 3.584 0 40 GHAB COC1CCN(C2CN(C(=O)c3cccc(Oc4ccc(F)cc4)c3)C2)CC1 575610991 RCDWVKUEMIAVQS-UHFFFAOYSA-N 384.451 3.553 0 40 GHAB CCc1n[nH]c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)c1C 19520968 IDQLHUSRRMSXPR-DSKINZAPSA-N 384.499 3.560 0 40 GHAB C[C@@H]1CN(Cc2ccc(CNc3nccc(C(F)(F)F)n3)cc2)C[C@@H](C)O1 30001573 DPWIXLPHMMVFKI-ZIAGYGMSSA-N 380.414 3.717 0 40 GHAB Cc1nc(CSCC(=O)NCc2cccc(OCC(F)(F)F)c2)cs1 40107872 QGHCVUMKYCUWTH-UHFFFAOYSA-N 390.452 3.942 0 40 GHAB O=C1[C@H](Oc2ccccc2F)[C@@H](c2ccc(F)c(F)c2)N1C[C@@H]1CCCO1 40157661 YFWSFOIEYUNXMN-MJXNMMHHSA-N 377.362 3.614 0 40 GHAB COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(CCO)c(=N)c32)cc1 101094368 SMWHXNBPZMKFOS-FQEVSTJZSA-N 399.450 3.803 0 40 GHAB Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)ccc2O)NC1=S 101057355 PBWMGISXMDUMML-UKTHLTGXSA-N 389.274 3.725 0 40 GHAB C[C@@H]1C(=O)N(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)C(=O)[C@@H]1C 101444789 JUTQTKXKKGZHFC-BETUJISGSA-N 386.835 3.712 0 40 GHAB C[C@H](C(=O)NC1CCCCCC1)S(=O)(=O)Cc1ccccc1C(F)(F)F 32796763 LCRHEJSCNDUKCZ-CYBMUJFWSA-N 391.455 3.848 0 40 GHAB COc1cc(N[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc(OC)c1OC 33040200 BCAQVLMVTJNDPO-KSSFIOAISA-N 384.476 3.707 0 40 GHAB COc1cc(N[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc(OC)c1OC 33040199 BCAQVLMVTJNDPO-RDTXWAMCSA-N 384.476 3.707 0 40 GHAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 102986366 YKSYZXPMGHASHL-QRVDHSFSSA-N 386.234 3.953 0 40 GHAB COc1ccc([C@@H](CNCc2ccc(-n3ccnc3)cc2)N2CCCC2)cc1 22799061 MEOCWXCQZFTLKL-HSZRJFAPSA-N 376.504 3.808 0 40 GHAB COC(=O)c1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 725768 DFIYAIFKTRZGAD-DHDCSXOGSA-N 386.201 3.580 0 40 GHAB COC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3cc(C)ccc3C)C2=O)cc1 938508 NUZUIJFDKBQKIW-UHFFFAOYSA-N 384.819 3.526 0 40 GHAB COc1c(O)c(OC)c(Br)c(Br)c1Br 1719012 CEJKHROJXSNGKC-UHFFFAOYSA-N 390.853 3.697 0 40 GHAB C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCC3=CCCCC3)CC(=O)N21 2096836 CVIOFNMXAVQHQX-YWZLYKJASA-N 377.488 3.715 0 40 GHAB biogenic Cc1ccc(C)c(OCc2nnc(NC(=O)c3ccc4c(c3)OCO4)s2)c1 2237550 SGTXNUBIRNWJOG-UHFFFAOYSA-N 383.429 3.715 0 40 GHAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=S)NCc1ccccc1 2252377 YQFZUOLVOMXPBB-UHFFFAOYSA-N 383.473 3.840 0 40 GHAB O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccccc1 2263987 HOQBQHCDHVWAAY-UHFFFAOYSA-N 376.441 3.956 0 40 GHAB Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccc(Cl)cc1 3506972 PMECVAGLGDMHEC-UHFFFAOYSA-N 386.908 3.587 0 40 GHAB COc1cc2c(cc1NC(=O)Cn1cnc3ccccc3c1=O)oc1ccccc12 3566997 XPZCKJXHDVPCIJ-UHFFFAOYSA-N 399.406 3.943 0 40 GHAB CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)c(Br)c1 4008706 HNEFFLUIHNXNTA-AWEZNQCLSA-N 385.233 3.559 0 40 GHAB CC(C)CCN[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3cccc4ccccc34)CO[C@H]12 4236479 VYTNIKNIRHRUFQ-DOIPELPJSA-N 384.476 3.559 0 40 GHAB biogenic,in-vitro CCC(=O)Nc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)s1 4328452 KQSDULXHXJVZCJ-UHFFFAOYSA-N 391.305 3.924 0 40 GHAB COc1ccc(NC(=S)N2CCC(NC(=O)c3ccccc3C)CC2)cc1 4857640 OCXXQAAZNWWAII-UHFFFAOYSA-N 383.517 3.595 0 40 GHAB Cc1ccc2cc(CN(Cc3cccs3)C(=O)C3CC3)c3nnnn3c2c1C 4879762 JSLNEAWTGWSGII-UHFFFAOYSA-N 391.500 3.895 0 40 GHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)c3ccccc3)o2)c(OC)c1 5170947 KKCMMZMPNVHYRM-ZDUSSCGKSA-N 399.472 3.897 0 40 GHAB COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCC2)cc1 5373346 ACZCSFVRHUAPSM-UHFFFAOYSA-N 388.489 3.511 0 40 GHAB COc1ccc(NC(=O)c2cccc(Br)c2)cc1N1CCCC1=O 5440935 PGOYSASLKVPXPL-UHFFFAOYSA-N 389.249 3.837 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NCc1ccc(Cl)cc1 5538805 OEVVMAIKLYWYSE-UHFFFAOYSA-N 384.819 3.777 0 40 GHAB O=C(COc1ccccc1Cc1ccccc1)NC[C@@H]1COc2ccccc2O1 6261011 JPFZNQDHEZVCFL-HXUWFJFHSA-N 389.451 3.612 0 40 GHAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(O)c3)C2=O)c1 6473031 CMROKGBGWVFXIZ-LICLKQGHSA-N 382.441 3.684 0 40 GHAB Cc1cc(C2=NN=C(NC[C@H]3CCCO3)SC2)c(C)n1CCc1ccccc1 6602722 OXRSDQUXSSPOFO-LJQANCHMSA-N 396.560 3.923 0 40 GHAB CCc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC)cc1 6752844 BVOBPSWVCDLFNE-QFIPXVFZSA-N 391.471 3.926 0 40 GHAB CCOc1cc2c(cc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O)OCO2 6961688 BJKZCYMYEUUAJO-AMVUYYFXSA-N 376.478 3.903 0 40 GHAB O=C(CNC(=O)c1ccco1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 6967590 GDQHQBQBSRSEII-UHFFFAOYSA-N 381.457 3.650 0 40 GHAB COc1ccc2cc(CN(C)C(=O)CSc3nnc(C4CC4)o3)ccc2c1 7289886 NYFLIMPWRDWHKT-UHFFFAOYSA-N 383.473 3.860 0 40 GHAB Cc1sc2ncn(CC(=O)c3ccc(NC(=O)C(C)C)cc3)c(=O)c2c1C 7383792 QCFISJGJLMXVGA-UHFFFAOYSA-N 383.473 3.552 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1ccncc1 7634650 RRQRWXOTFLWCOB-NSHDSACASA-N 389.431 3.758 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2ccccc2c1 7769236 IGBFCTXZOABVJH-UHFFFAOYSA-N 380.469 3.877 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 8168694 ZMZZRTJRXIBRDC-UHFFFAOYSA-N 392.390 3.829 0 40 GHAB COc1ccc(C(=O)Nc2ccc(C(=O)Nn3c(C)ccc3C)cc2)c(OC)c1 8475623 NAABFSPOQZHRMM-UHFFFAOYSA-N 393.443 3.758 0 40 GHAB COCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(C)c(C)c2)n1 8476974 UQHNTKSDKOPXAO-UHFFFAOYSA-N 384.867 3.581 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3cccc4c3O[C@@H](C)[C@H]4C)cc2)CC1 8721333 DFEDGZZIOADYOC-SJORKVTESA-N 379.504 3.965 0 40 GHAB COc1ccc(C(=O)c2ccccc2)c(OCC(=O)NCc2ccccc2)c1 8735748 LXLAKBIJLATAOB-UHFFFAOYSA-N 375.424 3.621 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1 8744436 HBBPQTHLXKRVNT-FQEVSTJZSA-N 393.443 3.523 0 40 GHAB O=C1N/C(=C\c2ccc(Br)s2)C(=O)N1Cc1ccccc1F 9013971 KRTGMJYGTDIMHH-GHXNOFRVSA-N 381.226 3.743 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1 10289932 RYWUGDUUPOGUEB-GOSISDBHSA-N 389.473 3.810 0 40 GHAB NC(=O)[C@@H](OC(=O)COc1ccc2oc3ccccc3c2c1)c1ccc(F)cc1 10915667 LKVPONDWLLSUNZ-NRFANRHFSA-N 393.370 3.874 0 40 GHAB COc1cccc(-c2ccc(=O)n(CCCC(=O)NC3CCCCCC3)n2)c1 11693327 QRQSZSBQCKOJHO-UHFFFAOYSA-N 383.492 3.538 0 40 GHAB CC[C@H](C(=O)Nc1ccc(Cl)cc1Cl)n1c(=O)[nH]c2ccccc2c1=O 11867242 GWOWXVSSXZYGMS-OAHLLOKOSA-N 392.242 3.586 0 40 GHAB C[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1c[nH]nc1-c1ccc(Cl)cc1 12116734 HWTXOFOJCIZJMA-AWEZNQCLSA-N 399.878 3.842 0 40 GHAB Cc1onc(-c2ccncc2)c1C(=O)NCCCN1CCCc2ccccc21 12148389 ABFABROWKSHUGX-UHFFFAOYSA-N 376.460 3.618 0 40 GHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nc2c(s1)CCc1c-2cnn1C 12241786 JOGWOQZEFMSBHU-CQSZACIVSA-N 386.452 3.577 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@@H]1c1ccc(OC)cc1 12655534 DGRGQYKWFHISQE-GOSISDBHSA-N 396.834 3.539 0 40 GHAB COc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 12817442 OHGYIEWJYRQTJX-UHFFFAOYSA-N 379.787 3.846 0 40 GHAB COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCCC(C)C 13004400 JDULYYNMVYAGOM-DEDYPNTBSA-N 394.496 3.890 0 40 GHAB Cc1nc2cc(NC(=O)c3ccc(I)cc3)ccc2o1 13005476 QHRGKCUBPARTCI-UHFFFAOYSA-N 378.169 3.993 0 40 GHAB O=C(CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1 13012418 SDIHEUHHSBOCOU-UHFFFAOYSA-N 384.432 3.660 0 40 GHAB Cc1cc2c(cc1CN1CCC[C@@H]3CN(C(=O)c4cccc(F)c4)C[C@@H]31)OCO2 13226775 IEAHAZDGYRTBLL-XLIONFOSSA-N 396.462 3.599 0 40 GHAB CCn1c(COc2ccccc2)nnc1SCC(=O)N[C@H](C)c1ccccc1 14087835 NVWWXDWCDFMLDB-MRXNPFEDSA-N 396.516 3.847 0 40 GHAB O=C(Nc1ccccc1)C1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 14115147 QNZOXAUHPIVGCX-IBGZPJMESA-N 384.863 3.521 0 40 GHAB C[C@H](NCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1cccs1 14196723 HRDKVKSZSRHUOI-SFHVURJKSA-N 393.556 3.896 0 40 GHAB CC(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2N2CCCCC2)cc1 14318568 KRGDBLOHWSGIGH-UHFFFAOYSA-N 380.488 3.917 0 40 GHAB Cc1cc(C(=O)COC(=O)C2(O)CCCCC2)c(C)n1CCc1cccs1 14323952 KMVXGCVCJANCJB-UHFFFAOYSA-N 389.517 3.830 0 40 GHAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)C(Cl)(Cl)Cl)c1 14404634 SAQSGRKDVVPVBA-UHFFFAOYSA-N 375.643 3.588 0 40 GHAB COC(=O)c1ccc(OC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(OC)c1 14726913 LBVXLTRPXIABQQ-UHFFFAOYSA-N 390.391 3.932 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 16000858 BEPIMHYGFHOQTH-CYBMUJFWSA-N 397.500 3.854 0 40 GHAB Cc1ccn2c(=O)cc(CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc2c1 16343895 COFKJUAAVYDUAJ-IBGZPJMESA-N 391.471 3.501 0 40 GHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 17286811 QYGXGMGFRUYZNY-UHFFFAOYSA-N 394.443 3.710 0 40 GHAB Cc1ccc(C2(CNC(=O)[C@@H](C)Cn3cnc4ccccc43)CCOCC2)cc1 19208637 DINCVSVGRSICSS-IBGZPJMESA-N 391.515 3.845 0 40 GHAB C[C@H]1C[C@H](C)CN(Cc2c3cccn(CC(=O)N(C)C)c-3nc2C(F)(F)F)C1 19462580 DFWHBCZURRWXHU-KBPBESRZSA-N 396.457 3.573 0 40 GHAB CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)C(C)C)C1 19528346 ZJWUERVMHMFLIA-HSZRJFAPSA-N 397.519 3.593 0 40 GHAB COc1ccc(CC(=O)N2CCCCC[C@H]3NC[C@@H](c4ccccc4)[C@@H]32)cc1 19554234 KLVHXVRVDSQCGT-ZDXQCDESSA-N 378.516 3.765 0 40 GHAB Cc1cccc(C2(C(=O)NCc3ccccc3N3CCCC3)CCOCC2)c1 19662270 FIDXSMJHMPJDIV-UHFFFAOYSA-N 378.516 3.960 0 40 GHAB CC(=O)N1CCC(c2ccc(C(=O)N(C)C[C@@H](C)c3ccccc3)cn2)CC1 19708073 WMWBAMFUYAPTSX-QGZVFWFLSA-N 379.504 3.683 0 40 GHAB Cc1nc2cc(C(=O)N3CCCC[C@H]3CCNC(=O)c3ccccc3)ccc2[nH]1 19749052 QZLOIOWCPOZSET-IBGZPJMESA-N 390.487 3.686 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 20108638 AWNXKEZPRCHNGA-MSOLQXFVSA-N 388.533 3.644 0 40 GHAB COc1ccc(CCC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 20410646 DCDZLCQANKRIKJ-IBGZPJMESA-N 397.471 3.554 0 40 GHAB biogenic C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CC[C@H](NC(=O)COc3ccccc3)[C@@H](C)[C@H]21 20466909 PHKHJKRKSIHPEP-NARJSYQGSA-N 385.504 3.574 0 40 GHAB biogenic,in-vitro O=C(NCC1(N2CCOCC2)CCCCC1)c1cc2cc(Cl)ccc2o1 20938163 JMHYNPUMGGZRFD-UHFFFAOYSA-N 376.884 3.851 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 22328655 WFTJNLUXIJRRFX-SFHVURJKSA-N 388.533 3.564 0 40 GHAB Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCOCC3)c(O)n2n1 22626668 RLGKCLRDVLGPDZ-CYBMUJFWSA-N 399.303 3.533 0 40 GHAB COc1ccc(C(C)=O)cc1CN1CCN(Cc2ccc(Cl)s2)CC1 22800142 VQNDREZKIJRTNZ-UHFFFAOYSA-N 378.925 3.931 0 40 GHAB O=C(c1ccco1)N(CCN1CCOCC1)c1nc2ccc(Cl)cc2s1 22998489 MQZJWTSKFALYLM-UHFFFAOYSA-N 391.880 3.522 0 40 GHAB O=C(Nc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccco1 23438757 KSQVVJDOMZFKKW-UHFFFAOYSA-N 390.848 3.664 0 40 GHAB COc1ccc(C)cc1CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 24829976 KEFADOBXRVDNKQ-UHFFFAOYSA-N 381.472 3.870 0 40 GHAB Cc1cc(CN2CCN(C(=O)c3ccc4[nH]c5c(c4c3)C[C@H](C)CC5)CC2)on1 29682514 OMQDQUCGQPWCPW-OAHLLOKOSA-N 392.503 3.547 0 40 GHAB O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCc2ccccc21 32059618 LGOXSTZNCWUEAQ-UHFFFAOYSA-N 398.509 3.681 0 40 GHAB CCc1c(C)sc2nc(NCCOC)n3nc(Cc4ccccc4)nc3c12 32105360 RJASXJWSFIELTR-UHFFFAOYSA-N 381.505 3.859 0 40 GHAB COC(=O)c1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 32578604 BIBMTAIXOBGFCH-UHFFFAOYSA-N 395.415 3.664 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(Br)cc2)n(C2CCCC2)n1 32609638 JIHLKBSZHIWKPJ-UHFFFAOYSA-N 384.299 3.870 0 40 GHAB CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCc2ccccc21 32778018 FCZWEIFPLBUGFX-QHCPKHFHSA-N 395.522 3.874 0 40 GHAB Cc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)c2ccccc2)cc1 35378065 CFGHPLBCCFEVSM-XZOQPEGZSA-N 399.494 3.506 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(F)cc3C)ccc21 35588156 BUIDFDSKKRNMHF-UHFFFAOYSA-N 390.524 3.818 0 40 GHAB CCc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)cc1 36701611 DYFGUPRXBAQEST-PNHOKKKMSA-N 391.475 3.507 0 40 GHAB C[C@H](OC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1)c1ccccc1 39983199 OMPFCXGYISMVCF-GOEBONIOSA-N 376.499 3.884 0 40 GHAB Cc1cccc(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)n1 40107859 QXLAVBVZGFOXAQ-QGZVFWFLSA-N 391.393 3.502 0 40 GHAB CCOc1ccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1 40128138 CJUOJFVOBGSXGT-UHFFFAOYSA-N 385.445 3.877 0 40 GHAB COc1ccccc1NC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 40158432 IGSKQQZQROSNBI-OAHLLOKOSA-N 377.485 3.806 0 40 GHAB Nc1nc(Cl)cc(Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)n1 45026222 MOVIYKLCIGTKLP-CYBMUJFWSA-N 387.896 3.906 0 40 GHAB COc1ccc2nc(C)c(C(=O)NCCc3cc(F)cc4c3OCOC4)cc2c1 52901009 VOCUUCMJMZGPPU-UHFFFAOYSA-N 396.418 3.530 0 40 GHAB Cc1ccc(-n2c(S[C@H]3C[C@H](C)OC3=O)nnc2-c2ccccn2)c(C)c1 53841384 YRRDRXPBTWNRDU-YOEHRIQHSA-N 380.473 3.742 0 40 GHAB CCn1c(-c2cccs2)nn(CN2CCN(c3ccccc3)CC2)c1=S 56552586 BPHSDUWRNKOSJV-UHFFFAOYSA-N 385.562 3.942 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccccc2CC)c(-c2ccc(F)cc2)n1 57508601 UVAUGAPODLHBSG-UHFFFAOYSA-N 379.435 3.813 0 40 GHAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(CCOc2ccc(Cl)cc2)CC1 58440732 WWRGUONOYPSZIZ-OAHLLOKOSA-N 392.931 3.778 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(OCc3ccccc3)c2)c1C 59411227 IOOYJPLVGQRFIB-UHFFFAOYSA-N 392.455 3.927 0 40 GHAB O=C(Nc1cccnc1)c1ccc(OC(=O)c2cc(Cl)c3c(c2)OCO3)cc1 66036782 KCUUNXJWTFDLEU-UHFFFAOYSA-N 396.786 3.935 0 40 GHAB Cn1cnnc1-c1ccccc1NC(=O)c1csc(-c2ccccc2F)n1 68725152 DOFCOSOOAUMCEW-UHFFFAOYSA-N 379.420 3.997 0 40 GHAB COc1ccccc1N1CCN(C(=O)Cn2ccc3c(Cl)cccc32)CC1 72402965 ODQGCBHMCGORJE-UHFFFAOYSA-N 383.879 3.652 0 40 GHAB Cc1ccc2nc(C3CN(C(=O)C4(c5ccccc5)CCOCC4)C3)[nH]c2c1 77099565 LPPBULJIYRIKQK-UHFFFAOYSA-N 375.472 3.546 0 40 GHAB O=C(c1cc(F)c(Cl)cc1Cl)N(C[C@H]1CCCO1)C[C@H]1CCCO1 84334836 NVRWCMRACPRZJO-VXGBXAGGSA-N 376.255 3.933 0 40 GHAB c1ccc(-c2cc(NCc3ccc(N4CCCCC4)nc3)n3ncnc3n2)cc1 84560054 PJVPMSLKSFOBLR-UHFFFAOYSA-N 385.475 3.789 0 40 GHAB O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(CC2(O)CCCCC2)CC1 89782954 WUHXRAHKUISUBB-UHFFFAOYSA-N 399.457 3.987 0 40 GHAB COc1ccccc1[C@@](N)(C(=O)NCC(C)(C)c1ccccc1)C(F)(F)F 96007099 GJEWTAHVXNDDLY-LJQANCHMSA-N 380.410 3.506 0 40 GHAB CCOc1ccc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)cc1 97108892 QTJRSCLFBGUDNG-MRXNPFEDSA-N 390.365 3.742 0 40 GHAB CCN(CC)c1ccc(CNC(=O)c2sc(NC(=O)C3CC3)cc2C)cn1 97336925 RVCVGFHQPLXHEF-UHFFFAOYSA-N 386.521 3.576 0 40 GHAB Cc1cc(C)nc(-n2nc3ncc4c(c3c2O)C[C@H](c2ccccc2C)CC4=O)n1 102750122 FHFONMSCJFXWHB-HNNXBMFYSA-N 399.454 3.754 0 40 GHAB C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(OC(F)F)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103028412 MHJOGDJMUSFXMV-FLXYMXBTSA-N 381.419 3.774 0 40 GHAB CCOc1cc(CNCc2cc(F)ccc2F)ccc1O[C@@H](C)C(=O)N(C)C 105496337 XBPFPTDMIAJZDS-AWEZNQCLSA-N 392.446 3.509 0 40 GHAB CC[C@H](NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O)c1ccccc1 113967238 KPYCBDQTJZNDTO-IBGZPJMESA-N 388.533 3.809 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 210806796 DUSNEVFQVROTKS-GZTJUZNOSA-N 382.441 3.679 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3C)[nH]2)cc1 216051577 YCVVCGTYILSVDS-UHFFFAOYSA-N 396.472 3.688 0 40 GHAB COc1cc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc(OC)c1OC 219301635 PBFHIAIJHZDHSE-INIZCTEOSA-N 387.476 3.721 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220610828 WFOWEGGKMCJSLM-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB Cc1c(C(=O)N[C@H](CC(C)C)c2ccccc2)cccc1N(C)S(C)(=O)=O 222441289 YJGLCMIXFCIGOR-LJQANCHMSA-N 388.533 3.908 0 40 GHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 223076102 MBGGVTLRPMUNIY-LEWJYISDSA-N 392.528 3.881 0 40 GHAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC)cc1 223232072 HJDSXROHDYEHRW-NRFANRHFSA-N 384.495 3.874 0 40 GHAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1 223443506 AYOGYVDIXKTWNQ-UXHICEINSA-N 378.501 3.899 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2nnc(SCC(C)C)s2)c(C)c1 223526690 KPFHTRLOWPYVRG-UHFFFAOYSA-N 387.552 3.712 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1F 223756450 BPYZXVVXHPUNNH-KRWDZBQOSA-N 382.479 3.844 0 40 GHAB COc1cc(CNS(=O)(=O)c2cc(Cl)ccc2OC)ccc1OC(C)C 224405299 RKEBJYFGRWSIQW-UHFFFAOYSA-N 399.896 3.623 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 224654817 NYJMYIRWVWUMLY-IBGZPJMESA-N 382.504 3.626 0 40 GHAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1 225739196 YYTKRUIABKYXNJ-QFIPXVFZSA-N 392.540 3.712 0 40 GHAB CCc1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1 248162358 YDXHDYORGSENLJ-UHFFFAOYSA-N 387.911 3.672 0 40 GHAB COc1ccc2cc([C@@H]3S[C@H](C)C(=O)N3[C@H]3CCCO3)c(Cl)nc2c1 251925273 CETSQLURVNJOHK-TZOQJCELSA-N 378.881 3.996 0 40 GHAB Cc1cccc(C(=O)N2CCO[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)n1 257245697 IQQVWFWAKYIYNX-IBGZPJMESA-N 397.862 3.836 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)SCc1ccccc1 408573373 CYOZJPJQXZZAEH-MRXNPFEDSA-N 386.517 3.713 0 40 GHAB COc1c(C)cc(C)cc1S(=O)(=O)N(c1ccccc1)C1CCN(C)CC1 509254651 MWNGOKMXXWZUJM-UHFFFAOYSA-N 388.533 3.602 0 40 GHAB CC(C)(C)N1C[C@@H](C(=O)Nc2cccc3c(O)nccc23)[C@H](C(F)(F)F)C1 562936964 ZJRHAXOXLFCFRS-ZIAGYGMSSA-N 381.398 3.788 0 40 GHAB O=C(Cc1nsc2ccccc12)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 574073870 QQKDNNAMAONLKD-JKSUJKDBSA-N 398.488 3.827 0 40 GHAB CSCC[C@@H](C(=O)N[C@@H](CC(C)C)c1nnc2ccccn12)n1cccc1 575443642 YSZOQALJYPLPAQ-IRXDYDNUSA-N 385.537 3.729 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575612200 JCMBCCOSVCNQSD-SFHVURJKSA-N 382.851 3.604 0 40 GHAB Cn1cc(-c2ccc(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)cn2)cn1 575616324 KVRUIDCYDPIVIO-UHFFFAOYSA-N 384.867 3.609 0 40 GHAB C[C@H](c1ccccc1)N1C[C@@]2(COCCN(Cc3cccc(F)c3)C2)CC1=O 585104674 QPIQQQQCQBSKIA-WZONZLPQSA-N 382.479 3.638 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)c1ncco1)N[C@@H]1CCO[C@@H](c2cccnc2)C1 654581606 FRLATIJKSPOZSU-HSALFYBXSA-N 392.459 3.573 0 40 GHAB C[C@@H](CCCc1cccnc1)NC(=O)N[C@@H](C)COc1c(F)cccc1F 661304362 QLXBFXXOXAZJJN-GJZGRUSLSA-N 377.435 3.838 0 40 GHAB O=C(NCc1ccc(OCc2ccccc2F)cc1)N1C[C@H]2CC[C@H]1[C@H](CO)C2 664681077 XXPXNUNDCVBRQD-JLMWRMLUSA-N 398.478 3.707 0 40 GHAB CN(C)Cc1ccnc(NC(=O)N2CCc3cc(-c4ccccc4)oc3C2)c1 1663889662 RFZKQXXCLICBMP-UHFFFAOYSA-N 376.460 3.993 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[C@@H](Oc2ccncc2F)C1 1776008429 FANXKXUEMJHTRO-OAHLLOKOSA-N 378.831 3.711 0 40 GHAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2Br)nn1 1888854088 OJQFBNSFETUYGD-SJPCQFCGSA-N 391.313 3.555 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@H](N(C)c2ncccc2C(F)(F)F)C1 1889136266 YMYVMUPYTZRGKB-LBPRGKRZSA-N 384.427 3.606 0 40 GHAB Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3Cl)C2=O)cc1O 938210 PZWZEZBYRXYCRD-UHFFFAOYSA-N 377.227 3.785 0 40 GHAB CCN(CC)/C(=C/n1ccccc1=O)OC(=O)c1ccc(Br)cc1 1438491 YUPYPKOETPIALQ-LGMDPLHJSA-N 391.265 3.566 0 40 GHAB CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@@H](C)CC4 2293292 RXVHATNSKLBGAK-NSHDSACASA-N 382.514 3.942 0 40 GHAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2N)cc1 2394376 QPVFSHBBHWQOJV-UHFFFAOYSA-N 385.468 3.652 0 40 GHAB CC(=O)c1cccc(N2C(=O)C[C@H](Nc3cccc(C(F)(F)F)c3)C2=O)c1 2649575 HWHRTDLQWKVVSX-INIZCTEOSA-N 376.334 3.652 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(CO)c3ccccc32)cc1 3115800 SJTACUOCVVLQIB-QQNJPBSNSA-N 395.458 3.538 0 40 GHAB O=C(COC(=O)c1ccccc1)c1ccc(-n2nncc2-c2ccccc2)cc1 3219052 ODAKVKJAJBTCOG-UHFFFAOYSA-N 383.407 3.974 0 40 GHAB CCC(=O)Oc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1 4339946 XGHVMPKMLNCVOA-UHFFFAOYSA-N 392.363 3.890 0 40 GHAB biogenic O=C1N/C(=C/c2cc3c(cc2Cl)OCO3)C(=O)N1c1ccc(Cl)cc1 4472475 ZNCAKUURNISHFK-WLRTZDKTSA-N 377.183 3.819 0 40 GHAB Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1Cc1cccs1 4549190 ALPRXQZLLOJHBR-UHFFFAOYSA-N 377.473 3.751 0 40 GHAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2cccc3ccccc23)o1 4585643 QXKNPCYTQGTWEK-UHFFFAOYSA-N 393.424 3.546 0 40 GHAB COc1ccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1OC 4691432 SUPFNSVAHXFDSN-UHFFFAOYSA-N 382.504 3.574 0 40 GHAB Cc1ccccc1-n1nnnc1C1(N(N=O)c2cccc(C(=O)O)c2)CCCC1 4729293 WQKCWHGRIDEYOA-UHFFFAOYSA-N 392.419 3.626 0 40 GHAB C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1ccc(F)cc1 4790866 JUFVWGRJVFDQQY-LLVKDONJSA-N 376.482 3.726 0 40 GHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C/c1ccccc1 4903312 ZEZZCDCTTVMXGS-ZHACJKMWSA-N 396.487 3.973 0 40 GHAB CC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CCC(Cc2ccccc2)CC1 4925499 LLIAZXYCYNBBHB-NRFANRHFSA-N 390.535 3.867 0 40 GHAB Cc1oc(-c2ccccc2Cl)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 5032960 TZEMYWFFYHZGQD-UHFFFAOYSA-N 390.848 3.808 0 40 GHAB Nn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1 5076991 SRGCRDWQOHVYES-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB COc1ccc(C(=O)COC(=O)c2c(-c3ccccc3)noc2C)cc1OC 5243943 AGHYBCWNWTVPPQ-UHFFFAOYSA-N 381.384 3.707 0 40 GHAB O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)N1CCOCC1 5255721 SJQILHRNZHSPPY-UHFFFAOYSA-N 391.543 3.818 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)o2)c1 5294036 YUMJREPAZDYWAF-GOEBONIOSA-N 375.494 3.744 0 40 GHAB CC(C)CNC(=O)Cn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O 5485894 GJEUZJYQYXTJMS-UHFFFAOYSA-N 395.528 3.776 0 40 GHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 5950097 LTDLBPSVGILDRL-UHFFFAOYSA-N 399.516 3.979 0 40 GHAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2Br)cc1 6238457 NFFRMGMNUHSZEP-UHFFFAOYSA-N 392.278 3.534 0 40 GHAB C[C@H](NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1)[C@@H]1CCCO1 6521556 PPELJGSARQLMGI-NGZCFLSTSA-N 379.810 3.677 0 40 GHAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc3c(c2)OCO3)cs1 6608874 JKSSTZIRTYMUQS-UHFFFAOYSA-N 396.424 3.913 0 40 GHAB COc1ccc(OC)c(NC(=O)Cc2c(C)c3ccc(OC)c(C)c3oc2=O)c1 6660279 VQFMZXYJLHSPMF-UHFFFAOYSA-N 397.427 3.617 0 40 GHAB CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3cccc(F)c3)c2)CC1 6680681 XTYXCJLAFHLQFD-UHFFFAOYSA-N 382.482 3.560 0 40 GHAB Cc1ccccc1CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 6779078 TYMDXKMQVHTYMR-FQEVSTJZSA-N 376.456 3.588 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)c(C)c1 6843939 XDCGVRGCXCMYGO-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB O=C(OCc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccccc2)n1 6949049 UKHWMIWHKDEANE-UHFFFAOYSA-N 388.345 3.667 0 40 GHAB Cc1cccc(N2CCN(C(=O)CN3CCC[C@@H]3c3cccs3)CC2)c1C 7216262 PPXKRHIZUYVLCO-HXUWFJFHSA-N 383.561 3.851 0 40 GHAB COc1ccc2c(COC(=O)C3=Cc4cc(Cl)ccc4OC3)cc(=O)oc2c1 8518570 ZIODHKKNQGFURS-UHFFFAOYSA-N 398.798 3.974 0 40 GHAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)N[C@H](C)c1ccccc1 8604970 WOVFFEDXKUEJGT-LLVKDONJSA-N 393.461 3.867 0 40 GHAB CCOC(=O)c1sc2nc(CNc3ccccc3Cl)[nH]c(=O)c2c1C 8715518 STYORCIRKUKJJO-UHFFFAOYSA-N 377.853 3.735 0 40 GHAB O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 9036728 LEDJOUAWZJJXQN-UHFFFAOYSA-N 394.402 3.635 0 40 GHAB COc1c(F)c(F)cc2c(=O)c(C(=O)Nc3ccc(O)cc3)cn(C3CC3)c12 9047702 ZMBIVNMTLOPVOP-UHFFFAOYSA-N 386.354 3.581 0 40 GHAB COCc1ccc(C(=O)N(Cc2ccncc2)c2ccc3c(c2)OCO3)cc1 9368239 NFLOMQCWFIEGQL-UHFFFAOYSA-N 376.412 3.804 0 40 GHAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)NC(=O)NC1CCCCC1 9591207 QMNMFPRNCNIANX-OAQYLSRUSA-N 397.544 3.854 0 40 GHAB CCN(CC(=O)NCc1cccs1)Cc1ccc(F)cc1Br 9710937 UPUOLWDSXAZFDM-UHFFFAOYSA-N 385.302 3.788 0 40 GHAB C[C@@H](NC(=O)CSc1ncnc2sccc12)c1ccc(-n2ccnc2)cc1 9753288 KKVKCKQWVTXQAQ-CYBMUJFWSA-N 395.513 3.847 0 40 GHAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cc1c(C)n[nH]c1C 9834293 NCCHHPGVNXZVEA-UHFFFAOYSA-N 397.306 3.753 0 40 GHAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccccc3OC)CC2)cc1 9983369 WNBUJLCMBWBFFJ-FMIVXFBMSA-N 379.456 3.839 0 40 GHAB COc1cc(N[C@@H](C)C(=O)Nc2c(C)cccc2C)ccc1N1CCCC1=O 10185290 ADPFCXVOCRKRLD-INIZCTEOSA-N 381.476 3.878 0 40 GHAB C[C@@H]1Cc2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2N1S(C)(=O)=O 10324180 UIIWZKOKYJKLIA-SNVBAGLBSA-N 399.299 3.956 0 40 GHAB Cc1ccc(N(CCCC(=O)NC2CCCCCC2)S(C)(=O)=O)cc1C 10362895 HXXMQLBFPAOIFG-UHFFFAOYSA-N 380.554 3.689 0 40 GHAB CCOC(=O)CN(C(=O)CSc1nc2ccccc2s1)c1ccccc1 10964657 PKFZVUXHWDWWQT-UHFFFAOYSA-N 386.498 3.985 0 40 GHAB COc1cccc2cc(/C=C/C(=O)OCC(=O)Nc3ccccc3C(C)=O)oc12 11579443 KUEOHXADQCOQFM-ZHACJKMWSA-N 393.395 3.839 0 40 GHAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)NC4CCCCC4)c3)cn2n1 11694613 YDAGWWWKQXOYTN-UHFFFAOYSA-N 395.463 3.868 0 40 GHAB O=c1[nH]cc(-c2ccc(F)cc2)cc1CNc1ccccc1N1CCOCC1 12143892 BJOXFBBBKDVVBM-UHFFFAOYSA-N 379.435 3.630 0 40 GHAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)Nc1ccc(Cl)c(Cl)c1 12180694 CZTRYZMCEVIYRW-UHFFFAOYSA-N 399.188 3.569 0 40 GHAB CN(Cc1ccccc1NCC(=O)NC(=O)NC1CCCC1)C1CCCCC1 12516040 UAKYACTXFSPCLF-UHFFFAOYSA-N 386.540 3.631 0 40 GHAB CN(CCOc1ccccc1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 12540001 WYLKHMQVTCCOLW-UHFFFAOYSA-N 377.366 3.593 0 40 GHAB Cc1cccc(N2CCN(CCNC(=O)CCc3ccc(C)c(Cl)c3)CC2)c1 12545310 HIGAYRURVKQJMG-UHFFFAOYSA-N 399.966 3.828 0 40 GHAB Cc1scc(C(=O)N2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)c1C 12752837 AVRGROHTXOUHJA-UHFFFAOYSA-N 394.500 3.942 0 40 GHAB COc1cccc(CN(C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1 12850460 BBABCUGUMLFBFC-UHFFFAOYSA-N 390.487 3.829 0 40 GHAB COc1ccccc1CNC(=O)N(C)CC(=O)Nc1cccc2ccccc12 12910138 MIAGKEMDCCPKGY-UHFFFAOYSA-N 377.444 3.629 0 40 GHAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F 12935710 HEQLAYHWXVATEQ-KRWDZBQOSA-N 379.382 3.711 0 40 GHAB CC[C@H](C)[C@H](NC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1)C(=O)OC 13555897 JFMAWPSKURYTOS-SJCJKPOMSA-N 382.420 3.599 0 40 GHAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 14171468 ZCXFKZLYEYQMGB-QHCPKHFHSA-N 391.515 3.896 0 40 GHAB O=C(CSc1nc2sccc2c(=O)[nH]1)Nc1cccc(C(F)(F)F)c1 16543397 JBWUSPLBXPSOJJ-UHFFFAOYSA-N 385.392 3.734 0 40 GHAB COc1ccc(/C=C/c2nc3s/c(=C/c4cccc(Cl)c4)c(=O)n3n2)cc1 16807438 JIKVKBKDVJHVST-KQOXKNJESA-N 395.871 3.531 0 40 GHAB CCOc1ccc(CC(=O)OCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 16838718 QHPBIZODGYRVMO-UHFFFAOYSA-N 381.384 3.755 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3N3CCOCC3)on2)cc1 19660530 YKXIVMCNQOIZQI-UHFFFAOYSA-N 397.406 3.578 0 40 GHAB C[C@@H]1CCCC[C@@H]1N1CCN(C(=O)COc2ccc(Br)cc2)CC1 19842043 JMCNWSNSAWRKBD-QAPCUYQASA-N 395.341 3.551 0 40 GHAB CSc1cccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c1 19937652 HBJFDYKZOFPFCW-UHFFFAOYSA-N 385.876 3.993 0 40 GHAB Cc1ccccc1C(=O)NC(NCc1ccccn1)(C(F)(F)F)C(F)(F)F 19938852 JWJZMBQOZRWVBH-UHFFFAOYSA-N 391.315 3.731 0 40 GHAB CN(C)CCCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 21789014 CBENKBUKEUERCM-UHFFFAOYSA-N 398.410 3.585 0 40 GHAB O=C(c1ccccc1F)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 23137324 RWKFFZFYXSZUQL-UHFFFAOYSA-N 387.505 3.969 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc2c(cc1Cl)OCCCO2 26987112 COKYUDJMWSVXEV-BBATYDOGSA-N 375.808 3.668 0 40 GHAB O=C(CCc1ccco1)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 30439769 HCFQSFYSWFWCSY-UHFFFAOYSA-N 378.384 3.832 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1Cl 30855413 AUTTTYKZNNKIMB-GFCCVEGCSA-N 377.824 3.931 0 40 GHAB CC(C)(C)c1ccc2cc(C(=O)OCc3cc(=O)n4ccccc4n3)[nH]c2c1 31446401 IZUNQDCORBPMMR-UHFFFAOYSA-N 375.428 3.830 0 40 GHAB O=C(NCCCOc1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1 32802364 DVHXPUBQHHIXHH-UHFFFAOYSA-N 391.874 3.780 0 40 GHAB COc1cccc(NC(=O)[C@H](C)OC(=O)c2oc3ccc(OC)cc3c2C)c1 32910482 SBFBVCMULDYNJX-ZDUSSCGKSA-N 383.400 3.942 0 40 GHAB CN(C)c1ncc(CN(Cc2ccccc2F)C2CC(C)(C)NC(C)(C)C2)cn1 36740475 MXQJXLYVXCINDJ-UHFFFAOYSA-N 399.558 3.993 0 40 GHAB O=C1C[C@@H](N2CCc3c([nH]c4ccc(Cl)cc34)C2)C(=O)N1c1ccccc1F 38830249 AEKZCSFBYWCCGC-LJQANCHMSA-N 397.837 3.651 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 39753383 KQFLHPKNTSOTQJ-UHFFFAOYSA-N 384.451 3.771 0 40 GHAB COc1ccc(OC[C@@H](O)CN(Cc2ccccn2)C2CC2)c(C(C)(C)C)c1 39982552 GOLBGJNWFNYICZ-IBGZPJMESA-N 384.520 3.792 0 40 GHAB Nc1nc(SC[C@@H](O)CO[C@@H]2CCCc3ccccc32)nc2sccc12 40018168 ALDNIURREILBJO-XJKSGUPXSA-N 387.530 3.821 0 40 GHAB O=C(CCNC(=O)c1cccs1)NCc1cccnc1Oc1cccc(F)c1 40094218 SICKHNNMIRXOKQ-UHFFFAOYSA-N 399.447 3.511 0 40 GHAB O=C(Cc1ccc(C(F)(F)F)cc1)N(Cc1cccnc1)C[C@H]1CCCO1 40156853 JWKBLJAOYDTMMZ-GOSISDBHSA-N 378.394 3.851 0 40 GHAB CCOC(=O)c1cnn(-c2ccc(C(=O)N(Cc3ccco3)C3CC3)cc2)c1C 41810561 XBHJXTXEIXYJMJ-UHFFFAOYSA-N 393.443 3.755 0 40 GHAB O=S(=O)(c1ccc(CNCc2c(F)cccc2Cl)cc1)N1CCCC1 47824317 OKQGKSSRRQMEFA-UHFFFAOYSA-N 382.888 3.553 0 40 GHAB Cc1cc(C)nc(SCC(=O)NC2(c3ccc(Br)cc3)CC2)n1 48242397 DKBKQGKYJDGGQR-UHFFFAOYSA-N 392.322 3.754 0 40 GHAB Cc1cc2n(C[C@H](O)c3cc(Cl)ccc3Cl)c(=O)c3ccccc3n2n1 51288958 GRKMAALZAZNUIN-KRWDZBQOSA-N 388.254 3.998 0 40 GHAB CCCN(Cc1nnc(-c2ccco2)o1)[C@H](C(=O)N1CCCC1)c1ccccc1 57383057 HYBCZRUUGICZAK-FQEVSTJZSA-N 394.475 3.905 0 40 GHAB CCc1cc(=O)n(CC(=O)N(CC)c2ccccc2)c(-c2ccc(F)cc2)n1 57508549 RYAVQHPOKVDWDO-UHFFFAOYSA-N 379.435 3.665 0 40 GHAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1cccnc1)C(=O)OC2 62001748 GXJLTEPUPIVJJB-AWNIVKPZSA-N 396.443 3.682 0 40 GHAB biogenic Cc1ccccc1[C@@H](CC(=O)N(C1CC1)[C@@H]1CCc2ccccc21)NC(N)=O 64809359 MCZVTBLTTYLXIQ-NHCUHLMSSA-N 377.488 3.773 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc1OCC 72330921 NKNFEPQVIBARMA-UHFFFAOYSA-N 389.423 3.656 0 40 GHAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1 72348616 JTBLVTFRBBWLKW-HXUWFJFHSA-N 385.467 3.867 0 40 GHAB CC(C)CN1C[C@@H](C(=O)Nc2ccc(Oc3cccc4[nH]ccc34)nc2)CC1=O 72402819 AJIIZBFFMZUHFY-HNNXBMFYSA-N 392.459 3.798 0 40 GHAB COc1ccc(Br)c(C(=O)NC[C@](O)(c2cccs2)C2CC2)c1 77099502 VSVTXVTYZGCIQH-QGZVFWFLSA-N 396.306 3.547 0 40 GHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(Cc1cccnc1)c1ccc(F)cc1 84678346 UOYVESLVOFNGNC-VFNWGFHPSA-N 378.403 3.982 0 40 GHAB CC1CCN([C@@H](CNS(=O)(=O)c2ccccc2F)c2cccs2)CC1 95350889 LOVHTUWRYGQZCJ-INIZCTEOSA-N 382.526 3.639 0 40 GHAB O=C(c1ccc(Br)cc1Cl)N1CCCN(CC(F)F)CC1 95452356 QFOAZBISLWMAEU-UHFFFAOYSA-N 381.648 3.516 0 40 GHAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cn(Cc2cccnc2)nn1 95962107 CLQLWYYUVQYIIJ-UHFFFAOYSA-N 396.863 3.751 0 40 GHAB Cn1cc([C@@H](CO)Nc2ncnc3cc(-c4ccc(Cl)cc4)sc23)cn1 95975508 BHEFKOATGVVQTK-OAHLLOKOSA-N 385.880 3.891 0 40 GHAB O=C(NC[C@H]1CCCN(C[C@@H](O)CCc2ccccc2)C1)Nc1cccc(F)c1 96013750 JQANWUVUDCLUIN-KNQAVFIVSA-N 399.510 3.653 0 40 GHAB COCCn1c(C(=O)NCCCN(C)C)cc2c1c1ccccc1n2C(C)C 96037329 FAQWPYOWKJIPOH-UHFFFAOYSA-N 384.524 3.505 0 40 GHAB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2ccsc2)CCO1 96117447 HFAKBNTYHVAVGT-RISCZKNCSA-N 379.507 3.555 0 40 GHAB O=C(COc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1cccnc1S2 96223907 JCOBJYXFVGTPTH-UHFFFAOYSA-N 377.425 3.816 0 40 GHAB C[C@@H](CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 96795039 HRWLGHWLDGDWNR-NZQKXSOJSA-N 379.548 3.675 0 40 GHAB CCOc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc1OC 100148833 JZYNCVGSJGEKOE-OALUTQOASA-N 382.504 3.609 0 40 GHAB CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3ccc(C)cc3C=C[C@H]21 103460437 QXDMQYKEMQIMIQ-YSTOQKLRSA-N 394.515 3.596 0 40 GHAB CC(C)(C)OC(=O)NCCN(CC(=O)OCc1ccccc1)Cc1ccccc1 142476847 VOLHBAAHYRYRCS-UHFFFAOYSA-N 398.503 3.757 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(C)c3C)n2)cc1 219311923 CWQYXSBYFFBCHG-INIZCTEOSA-N 395.459 3.788 0 40 GHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1N1CCCCS1(=O)=O 222574873 ZIKGYPXKGLACOD-OAHLLOKOSA-N 390.480 3.555 0 40 GHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 223220497 MVYRFMALIVAWMH-MOPGFXCFSA-N 385.581 3.562 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3Cl)c(Cl)cc21 223362671 VRXJDDWHFOBIHO-UHFFFAOYSA-N 387.244 3.722 0 40 GHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1 224113237 NPEMTWMANRKTQQ-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCC(C)CC3)c2)c1 224132046 OGFBOOYJNALTCM-UHFFFAOYSA-N 386.517 3.692 0 40 GHAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1cccnc1 224393093 QBNXFGGVZNLJPM-UNOMPAQXSA-N 377.469 3.539 0 40 GHAB Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1NS(C)(=O)=O 224872587 BHDXTVJNMROGMS-UHFFFAOYSA-N 388.367 3.517 0 40 GHAB COC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(SC)cc1 224983631 OQGXREUDRCQZHB-UHFFFAOYSA-N 399.921 3.739 0 40 GHAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1cc2c(cc1OC)CCCC2 225726767 KMNZLHNAENXVKS-CQSZACIVSA-N 375.490 3.622 0 40 GHAB FC(F)(F)c1cccc(N2CCN(C3CCN([C@H]4CCSC4)CC3)CC2)c1 252510155 ZCPHFGMUUHUXBC-IBGZPJMESA-N 399.526 3.797 0 40 GHAB Cn1ccnc1C[C@@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C1 257275923 NROJIRWDXXJZNF-INIZCTEOSA-N 379.460 3.833 0 40 GHAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccccc2F)n1 257310830 UGUUKDVWCLSWDT-IBGZPJMESA-N 380.423 3.794 0 40 GHAB CCOc1ccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCCN4C)[nH]n2)cc1 257325094 WRKWNNUQFGZBLS-GMAHTHKFSA-N 396.535 3.954 0 40 GHAB COc1ccccc1CN1CC[C@@]2(C1)CN(Cc1cccnc1)c1cccnc12 306132024 KVVYTEWGGDAHPE-XMMPIXPASA-N 386.499 3.649 0 40 GHAB CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)O[C@@H](C)CC)C1=O 408601216 JCBNYKJRTHNAEJ-XDUBLRSXSA-N 377.462 3.853 0 40 GHAB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OC(C)C 409241017 WFZPUHAQOOEPTJ-WOJGMQOQSA-N 380.444 3.884 0 40 GHAB Cc1nccc(O[C@@H]2CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)n1 575610653 WUTOHJCKSFLUMR-OAQYLSRUSA-N 387.483 3.987 0 40 GHAB Cc1cc(C)n([C@@H](CNC(=O)c2ccc3nsnc3c2)c2ccsc2)n1 575613484 HZAOJFATCFRRQX-KRWDZBQOSA-N 383.502 3.586 0 40 GHAB CC(C)(C)c1ccc(C[C@]2(C)CCCN2C(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 618107465 WHOQUQNQAZJOMO-AVRDEDQJSA-N 391.577 3.733 0 40 GHAB CO[C@@H](C(=O)Nc1ccc2c(Cl)ccc(Br)c2n1)[C@H]1CCOC1 622094277 HOOOJOQDNGFQEY-BJOHPYRUSA-N 399.672 3.641 0 40 GHAB O=C(N[C@@H](c1ccc(F)cc1)c1ncc[nH]1)c1ccc(N2CCCCCC2)nc1 628773710 MUDYASYQFWBGBQ-FQEVSTJZSA-N 393.466 3.844 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](C)c1ccccc1 686656 PXNXMJMGKFMQEY-INIZCTEOSA-N 380.517 3.858 0 40 GHAB Cn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl 687302 WBDOIBUKDLDROT-UHFFFAOYSA-N 386.908 3.985 0 40 GHAB COc1ccc(Cc2cnc(NC(=O)COc3ccc(OC)cc3)s2)cc1 848380 BYPVDKZTZQMBLA-UHFFFAOYSA-N 384.457 3.769 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)OCc3ccccc3)o2)cc1OC 882407 XYYDDJVVWCUUNG-UHFFFAOYSA-N 386.429 3.589 0 40 GHAB CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 1284176 YBSPOEYQBIVXTC-UHFFFAOYSA-N 396.472 3.653 0 40 GHAB O=C(Cc1ccccc1)Nc1cccn(Cc2ccccc2Br)c1=O 1354147 OCQWNYHSALCLBX-UHFFFAOYSA-N 397.272 3.840 0 40 GHAB COc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1OC 1510993 BGUQNTUTIYKNQW-ZROIWOOFSA-N 388.217 3.811 0 40 GHAB Cn1c(SCc2ccc3c(c2)OCO3)nc2sc3c(c2c1=O)CCCC3 2352298 UAHPRXMNTOUBDP-UHFFFAOYSA-N 386.498 3.895 0 40 GHAB COc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 3442025 UWOXOVKKOXLTAY-UHFFFAOYSA-N 379.445 3.677 0 40 GHAB Cn1nc(C(=O)Oc2ccc(Br)cc2Cl)c2ccccc2c1=O 3550628 PTKNBMCOYMVBHL-UHFFFAOYSA-N 393.624 3.569 0 40 GHAB CNC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CC[C@H](C)C2 4326464 VBEJIUWFOBZIBN-NSHDSACASA-N 396.468 3.591 0 40 GHAB CCOc1cccc(N2C(=O)C[C@@H](N3CCC(c4ccc(F)cc4)CC3)C2=O)c1 4784441 DEUWTVBUUPGHMM-OAQYLSRUSA-N 396.462 3.736 0 40 GHAB Cn1c(SCC(=O)c2cccc(Br)c2)nnc1-c1ccco1 4924785 RCNLETKMEZGQHO-UHFFFAOYSA-N 378.251 3.813 0 40 GHAB COc1cc(-c2ccc(=O)n(Cc3ccccc3Cl)n2)cc(OC)c1OC 5409412 ABXURZSTLLMZAV-UHFFFAOYSA-N 386.835 3.638 0 40 GHAB CCC[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(OC)cc3)c2C(N)=O)C1 6045197 IPBDKFRTOOIFBR-CYBMUJFWSA-N 386.517 3.942 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)/C=C/c1ccccc1 6053703 FOQXVAHOIXVRFP-BUHFOSPRSA-N 375.428 3.684 0 40 GHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1 6237632 ULTNJGPOVWVAJK-GJZGRUSLSA-N 390.480 3.745 0 40 GHAB CCOC(=O)C1CCN(c2nc3ccccc3n2CC(=O)c2ccccc2)CC1 6313887 XUKRWOKPLSGYGY-UHFFFAOYSA-N 391.471 3.699 0 40 GHAB Cc1nc2[nH]c(SCC(=O)Nc3ccc(F)cc3)nc2cc1Br 6418040 UXYBCWBXVWKTCB-UHFFFAOYSA-N 395.257 3.899 0 40 GHAB O=C(CSCc1cc2c(cc1Br)OCCO2)NC1CCCC1 6654580 ISRFCTCNDNFXGI-UHFFFAOYSA-N 386.311 3.512 0 40 GHAB COc1cc([C@@H]2N=C(N)Nc3nc4ccccc4n32)ccc1OCCC(C)C 6662332 CKKCITWTHFQWBL-LJQANCHMSA-N 379.464 3.757 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C 6779347 RGEIDEAGTXEODI-KRWDZBQOSA-N 378.831 3.881 0 40 GHAB COc1ccccc1N1C(=O)C[C@@H](Nc2ccc(OC(F)F)c(Cl)c2)C1=O 7779708 ATODFNITIUKRBR-GFCCVEGCSA-N 396.777 3.694 0 40 GHAB CCSc1nnc(NC(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)s1 7786952 YQKRCPFLCIGAEA-ONEGZZNKSA-N 383.882 3.727 0 40 GHAB CCC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2OC)c1 7814361 YQSAIZZVEPHDTI-CQSZACIVSA-N 376.478 3.871 0 40 GHAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(N2CCCC2=O)cc1 7850368 UOKSYZHYIIHMAS-UHFFFAOYSA-N 391.515 3.729 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)cc1 7922337 BPCCACALSNUTHS-UHFFFAOYSA-N 376.460 3.915 0 40 GHAB CN(Cc1ccsc1)C(=O)COc1ccccc1C(=O)NCc1ccccc1 8155983 PBRIKOLHCKFXPV-UHFFFAOYSA-N 394.496 3.716 0 40 GHAB Cc1nnc(S/C(=C\c2ccccc2OCc2ccc(C#N)cc2)C(=O)O)[nH]1 8272357 RYHAQMXNIJUISA-ZDLGFXPLSA-N 392.440 3.782 0 40 GHAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc3n2CCCCC3)cc1 8272537 JSXAQFYLLWXFTK-AWEZNQCLSA-N 386.521 3.963 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C 8497804 RAQAQQLLCVUNFI-MJGOQNOKSA-N 396.487 3.618 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CCOc3cc(C)ccc3C)CC2)cc1 8721173 SJFURLWGBZOVCR-UHFFFAOYSA-N 380.488 3.624 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)c3ccc(-n4cnc5ccccc54)cc3)cc2NC1=O 9379336 BTMKLCQVYDEIIZ-CQSZACIVSA-N 398.422 3.997 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 9986439 UJCNAPAPIUDOOM-NRFANRHFSA-N 392.499 3.563 0 40 GHAB CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(C)cc2)cc1OCC 10543997 SFQJPWJVTHFUHA-INIZCTEOSA-N 377.506 3.973 0 40 GHAB O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10546634 VHLOFBLGJGHLTM-OAHLLOKOSA-N 389.434 3.908 0 40 GHAB O=C(NCCCN1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 11853289 RQCOCLYHNXYLQJ-UHFFFAOYSA-N 381.564 3.531 0 40 GHAB COc1ccc(CN(Cc2c[nH]nc2-c2ccc(O)cc2)C[C@H]2CCCO2)cc1 12116803 XFKOBNFRXQNSGS-JOCHJYFZSA-N 393.487 3.972 0 40 GHAB CC(C)Cn1cc2c(C(F)(F)F)cc(N3CCC(CC(=O)O)CC3)nc2n1 12398943 LPNFBBWCYGAWJH-UHFFFAOYSA-N 384.402 3.797 0 40 GHAB CCOc1ccccc1C(=O)N1CCN(c2nccn2-c2ccc(C)cc2)CC1 12444663 WTVLFZAODZXJCM-UHFFFAOYSA-N 390.487 3.542 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H](C)C3)c2)cc1 12605251 CSMILRMZRLYDKN-INIZCTEOSA-N 386.517 3.976 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)COc2ccc(F)cc2Cl)C1 12761224 KBVAMQUXSIPHKY-CQSZACIVSA-N 390.842 3.735 0 40 GHAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1cccc2cnccc12 12907412 DZQRDZIWWTWLNG-UHFFFAOYSA-N 386.407 3.847 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1SC)N(c1ccc(F)cc1)S(C)(=O)=O 13715764 LNXFRLNVYHFKLI-INIZCTEOSA-N 396.509 3.731 0 40 GHAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(Cl)c(Cl)c1 14187461 XQSSKNMVNSZAKL-UHFFFAOYSA-N 384.263 3.577 0 40 GHAB CC(C)C[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1 15520089 IUGCNRDIPCRREK-LJQANCHMSA-N 375.472 3.860 0 40 GHAB Cc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(N2CCCC2)cc1 16847302 NEAYHBCQWBPRTH-UHFFFAOYSA-N 378.925 3.770 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccccc2)n1C 17078139 LDBWLXAZUXGURD-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB CC(C)c1nc(C[C@@H](NC(=O)c2cccc(F)c2)c2ccc(F)cc2)cc(=O)[nH]1 19453526 WGWMVQQHQBASMY-LJQANCHMSA-N 397.425 3.885 0 40 GHAB Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)n(Cc2ccncc2)n1 19574600 GHQXFAACJMTKJQ-UHFFFAOYSA-N 377.379 3.681 0 40 GHAB COc1ccc(S(=O)(=O)CCC(=O)Nc2c(C)ccc3nc(C)ccc23)cc1 19717632 PORWKALOMVXWJB-UHFFFAOYSA-N 398.484 3.663 0 40 GHAB Cc1cccn2cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)nc12 19718785 RCANXJIZHYGPCK-GOSISDBHSA-N 377.444 3.781 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 20109748 XBQSASQTACELNN-SFHVURJKSA-N 395.330 3.864 0 40 GHAB CCCC(=O)NC(=S)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 20411158 CNCVGMBGPYKDAH-UHFFFAOYSA-N 388.474 3.755 0 40 GHAB CCOc1ccccc1-n1nnnc1SCC(=O)c1ccc2c(c1)CCC2 21467333 FNFQGAYTINCIAO-UHFFFAOYSA-N 380.473 3.525 0 40 GHAB C[C@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)C(=O)NC(C)(C)C 21605522 DTTHGQBSUUUGMD-AVOUXACISA-N 385.595 3.835 0 40 GHAB Cc1cc(-c2nn3c(COc4ccc(Cl)cc4Cl)nnc3s2)[nH]n1 22504277 AHQKYNNURYQNKE-UHFFFAOYSA-N 381.248 3.770 0 40 GHAB O=C(NCc1ccccc1CN1CCOCC1)Nc1cccc2ccccc12 22893279 YGFIBCJOIPEOGQ-UHFFFAOYSA-N 375.472 3.994 0 40 GHAB Cc1nc(COc2ccccc2C(=O)Nc2cnc3c(cnn3C(C)C)c2)no1 23700100 CITJREJCQADHHC-UHFFFAOYSA-N 392.419 3.535 0 40 GHAB COc1ccc(-c2nn(CN3CCOCC3)c(=S)n2C2CCCCC2)cc1 25386503 RHAVADWBUCMPNS-UHFFFAOYSA-N 388.537 3.885 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 26919772 JNMDGRILXYOEHS-QGZVFWFLSA-N 395.330 3.864 0 40 GHAB NS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1 27399316 INFWMTFMPGNINH-ZRDIBKRKSA-N 384.482 3.714 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2cccc(Cl)c2)c1 27948422 FDYXPRSOYIDJPK-UHFFFAOYSA-N 388.272 3.601 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)NCCSc1ccccc1)c1ccccc1F 29325758 XBRPPRAQWIPVIW-SFHVURJKSA-N 384.480 3.740 0 40 GHAB O=C([C@@H]1CCCN(c2cnccn2)C1)N(Cc1c(F)cccc1Cl)C1CC1 29782067 RAUSHCFOQSRDEI-CQSZACIVSA-N 388.874 3.677 0 40 GHAB C[C@H]1CN(c2ccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cn2)C[C@H](C)O1 30016416 XTZRVMLJUFWGGK-QWRGUYRKSA-N 395.290 3.837 0 40 GHAB O=C(c1cccc(F)c1)N1CCCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 30270289 BAKIEAKIUPFZOS-UHFFFAOYSA-N 394.368 3.833 0 40 GHAB O=C(NCCSCc1ccccc1F)c1ccc(CN2CCCC2=O)cc1 30850776 HTTUDXGNLAQDIR-UHFFFAOYSA-N 386.492 3.611 0 40 GHAB COC(=O)c1c(COC(=O)c2ccc3cn[nH]c3c2)nc2ccccc2c1C 31256190 IZRNVVGNWOUQSJ-UHFFFAOYSA-N 375.384 3.563 0 40 GHAB CCOC(=O)N1CCC(C(=O)NCc2cccc(Oc3ccccc3)c2)CC1 32362252 XSLGBBLRJGPSHJ-UHFFFAOYSA-N 382.460 3.964 0 40 GHAB COc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccccc2F)CC1 33088267 WCDQWEZPGJJZAU-UHFFFAOYSA-N 380.423 3.633 0 40 GHAB O=C(O)[C@@H]1CCCN(c2ccc(Sc3ccc(Br)cc3)nn2)C1 33268131 PWEPZQIRRKDJDC-LLVKDONJSA-N 394.294 3.691 0 40 GHAB in-vitro C[C@H](C(=O)Nc1ccc(Cl)cc1)n1ncc(-c2ccc(Cl)cc2)nc1=O 33324649 NRIITNNZLJTRNE-LLVKDONJSA-N 389.242 3.812 0 40 GHAB CCCCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cn(C)nc3C)nc21 36614295 VPONJHDWUXCRSV-UHFFFAOYSA-N 397.426 3.982 0 40 GHAB COc1ccc(Br)cc1CN(C)CC(=O)N[C@H]1CCC[C@H](C)[C@H]1C 36713597 LEDCYKNYWBNCCU-VBQJREDUSA-N 397.357 3.830 0 40 GHAB Cc1ccc(CNC(=O)c2nnn(-c3ccc(C)cc3)c2-c2cccnc2)cc1 38487466 FWUVXYXXMKJQHJ-UHFFFAOYSA-N 383.455 3.876 0 40 GHAB CCc1nnsc1C(=O)O[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 40012688 AANUGYTXUUBUAU-KRWDZBQOSA-N 397.456 3.646 0 40 GHAB Cc1nc(C)c(-c2nnc(S[C@@H](C)C(=O)N(C)Cc3ccccc3)o2)s1 40050096 VFSZXXCGCVKWQZ-LBPRGKRZSA-N 388.518 3.949 0 40 GHAB CCCc1noc(CCC(=O)NCc2ccccc2CN2CCCC[C@H]2C)n1 40107154 POLFYDFVNWVOFD-QGZVFWFLSA-N 384.524 3.646 0 40 GHAB C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cc2ccccc2o1 43193278 NKNJMZMEYRBETF-CYBMUJFWSA-N 387.461 3.566 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3ccccc3Cl)[nH]n1)CC2 43781675 FJVZFVZSMAXJET-UHFFFAOYSA-N 397.862 3.946 0 40 GHAB COc1ccc([C@H](C)NC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1F 44141300 IBXFNFNFPZANCJ-AWEZNQCLSA-N 385.439 3.953 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CCn1ccc3c(OC)cccc31)CC2 49543595 YDQOOGIMPDFQSJ-UHFFFAOYSA-N 394.471 3.642 0 40 GHAB biogenic O=C(NCCN1CCN(c2ccccc2F)CC1)c1cccc2ccccc12 56997446 HCBFCPXDEOELCL-UHFFFAOYSA-N 377.463 3.531 0 40 GHAB CCc1cc(=O)n(CC(=O)N2CCCc3ccccc32)c(-c2ccc(F)cc2)n1 57508491 CEMMOCZYDLCTMC-UHFFFAOYSA-N 391.446 3.591 0 40 GHAB CCCS(=O)(=O)Nc1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1C 58172194 QIORAZUUOCCWEX-FMIVXFBMSA-N 376.453 3.938 0 40 GHAB CC(C)CCC[C@@H](C)NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 61719848 YSQKBEDTFHKZSU-OAHLLOKOSA-N 375.900 3.895 0 40 GHAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc(-c2ccccc2)[nH]n1 66856619 MTRDPNRGFDUOFA-UHFFFAOYSA-N 384.443 3.924 0 40 GHAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCn2ncc(=O)c3ccccc32)o1 72303806 DYKFMHDBPCRSIY-HNAYVOBHSA-N 379.460 3.688 0 40 GHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 72311468 DUXRMGCAIFAQQL-UHFFFAOYSA-N 397.389 3.636 0 40 GHAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1N1C(=O)CCC1=O 78882195 RAOQIWKMAOFLMG-UHFFFAOYSA-N 377.227 3.828 0 40 GHAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cnc(C)n2-c2ccccc2)c1 78903204 XBLJBVWTSHVJDJ-MRXNPFEDSA-N 390.487 3.639 0 40 GHAB CCOC(=O)c1csc(-c2cccc(CN3C(=O)c4ccccc4C3=O)c2)n1 94984815 MEIYMVMEHLHFPY-UHFFFAOYSA-N 392.436 3.783 0 40 GHAB CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 95465438 JVWLLTMEXIKQOX-CQSZACIVSA-N 387.461 3.560 0 40 GHAB Cc1nc(CSc2ccc(C(=O)N[C@H](CC(=O)O)C3CC3)cc2)cs1 95970307 OYTVFVXTRRPFNW-MRXNPFEDSA-N 376.503 3.727 0 40 GHAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21)NC1CC1 96052998 KZHIQRKJZDARII-INIZCTEOSA-N 378.472 3.610 0 40 GHAB CN1C(=O)C[C@@H](N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccc2Cl)C1=O 100857891 GPVFEZXCNNOIKT-NQIIRXRSSA-N 393.874 3.526 0 40 GHAB COc1cc2s/c(=N\C(=O)c3ccc4ncsc4c3)n(C)c2cc1OC 101035760 OCOLRYJCVWCSPB-ZZEZOPTASA-N 385.470 3.608 0 40 GHAB Cc1cc(C)cc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 102623759 RJGHYKRQCUKQIV-ZCLUNYJNSA-N 387.435 3.834 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 108702463 WCFMOSAYUULVGY-GOTSBHOMSA-N 399.494 3.565 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1C 110531448 WGWTWIHBJNVOIV-AFAVFJNCSA-N 377.481 3.995 0 40 GHAB CCOC[C@@]1(N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218648898 CFQISRVUFFPHTG-HSALFYBXSA-N 393.936 3.576 0 40 GHAB CC[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(OC)c(OC)c1 219205558 VOOPYXPYYIXVFJ-GOSISDBHSA-N 382.460 3.712 0 40 GHAB O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cn2ccnc2)cc1 223177274 GUIGOOUZZZPHDC-UHFFFAOYSA-N 393.834 3.565 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 223683062 KOJCBUJKWACPCZ-OAHLLOKOSA-N 388.961 3.747 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)c(C)c1 223874361 IEABCMOJIXXNDT-SFHVURJKSA-N 384.495 3.929 0 40 GHAB Cc1ccc(C)c(N([C@@H](C)C(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c1 224041062 UENRBBKBOVUDGX-INIZCTEOSA-N 382.570 3.789 0 40 GHAB CCN(CC)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224214419 GCKIKCMGZAHWBS-UHFFFAOYSA-N 394.924 3.956 0 40 GHAB O=C(NCCOCc1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 224532955 UWAKIXAKDZEOEJ-UHFFFAOYSA-N 386.923 3.885 0 40 GHAB COc1cc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc(OC)c1OC 225682263 LAUMROVUYZMFCK-OAHLLOKOSA-N 399.487 3.675 0 40 GHAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 225698441 QDSYUDOTYVGNIR-OAQYLSRUSA-N 376.497 3.612 0 40 GHAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H]3OC(C)(C)OC[C@]32C)[C@]12CC[C@](CO)(CCO)O2 248340916 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O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2CN(Cc3ccncc3)C[C@@H]21 306138397 RWKIDDQKGHFJSW-UNMCSNQZSA-N 394.471 3.643 0 40 GHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)S2)cc1 408778901 ZKIYYNHTTYEINZ-OWMRDYPQSA-N 386.473 3.571 0 40 GHAB O=C(Cc1ccccc1Cl)Nc1ccccc1C(=O)NCc1cccnc1 61240161 PEYMOQAKOVUYRJ-UHFFFAOYSA-N 379.847 3.846 0 40 GHAB O=C(CNC(=O)c1ccc(COc2ccccc2)o1)Nc1cccc(Cl)c1 408561796 LKDQXLHWHBGTIG-UHFFFAOYSA-N 384.819 3.881 0 40 GHAB CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nc2cccnc21 35289169 HXAHNBSRWUVFSI-UHFFFAOYSA-N 399.501 3.800 0 40 GHAB CC[C@@H](C)N1C(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2C1=O 32123828 IKSZQDJKVSJPKF-CQSZACIVSA-N 389.455 3.535 0 40 GHAB biogenic Cc1cc(C)cc(OCc2nnc(SCC(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)o2)c1 216033933 SWZREEUKDUCTED-BFYDXBDKSA-N 387.505 3.662 0 40 GHAB Cc1ccc(CNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 408704805 TVWGOBZOPOATPF-UHFFFAOYSA-N 394.496 3.754 0 40 GHAB Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc(Cc3nc[nH]n3)cc2)cc1 1566079295 OONSDLQWTMPEKH-IRLDBZIGSA-N 390.487 3.602 0 40 GHAB O=C(c1ccncc1)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 72378158 LGNDXCICKJMRTH-INIZCTEOSA-N 396.878 3.709 0 40 GHAB O=C(NCc1ccc(F)cc1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225735666 NZCRUTYBZNXTLR-OAHLLOKOSA-N 383.345 3.602 0 40 GHAB CCOc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 223705582 DXTIDCXWZFTYPC-UHFFFAOYSA-N 375.490 3.667 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 48017837 RFPQHNHGBQJZHA-UHFFFAOYSA-N 381.476 3.998 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(Cl)c1 223635432 WXIXDMIFFXVKLW-INIZCTEOSA-N 388.895 3.581 0 40 GHAB Cc1ccc(CN(C(=O)Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)cc1 224207485 APOOAQSCEAJWCC-GOSISDBHSA-N 384.495 3.866 0 40 GHAB CC[C@H](C(=O)NC(C(C)C)C(C)C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220565199 FEVVMMKWUYGNFC-GOSISDBHSA-N 382.570 3.645 0 40 GHAB CCOc1ccc2nc(NC(=O)c3ccc(-n4nc(C)cc4C)nn3)sc2c1 77197140 OFSZZRGNWQLCQW-UHFFFAOYSA-N 394.460 3.540 0 40 GHAB COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@@H](c4ccccc4)C3)n(C)n2)c1 77200664 BWZQDVWTKNVTBS-QGZVFWFLSA-N 391.471 3.734 0 40 GHAB CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1cnc2c(c1)C[C@@H](N)CC2 573476478 KRXQSMQEUXBRIU-INIZCTEOSA-N 389.503 3.633 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C 223855382 KNMRHHROWUMUTR-UHFFFAOYSA-N 377.506 3.658 0 40 GHAB Cc1ccc(OCCNS(=O)(=O)Cc2ccc(Br)cc2)c(C)c1 224185833 PJAWUXWQEYBMBS-UHFFFAOYSA-N 398.322 3.564 0 40 GHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F 222904102 PNFUHQWOCZIXTK-OAHLLOKOSA-N 388.458 3.839 0 40 GHAB O=C(N[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1cccnc1 96090507 HMQUNZQNORWMFU-HXUWFJFHSA-N 377.488 3.580 0 40 GHAB O=C(Nc1ncc(Cc2ccccc2)s1)N1CCC(Oc2cnccn2)CC1 579304523 FQRBNULITZMOAR-UHFFFAOYSA-N 395.488 3.599 0 40 GHAB Cc1ccccc1NC(=O)N1CCC2(CC1)CCn1c(-c3cnn(C)c3)cnc12 96243499 NDCLLYKXAQXZMW-UHFFFAOYSA-N 390.491 3.561 0 40 GHAB CCOc1cc(/C=N\Nc2ccc(Br)cc2)cc([N+](=O)[O-])c1O 96469408 WBNDAVXKGVEFGY-MFOYZWKCSA-N 380.198 3.908 0 40 GHAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(CC[C@H](C)c2ccccc2)C3)C1 247961527 VMDYUJXHFVICHB-RXVVDRJESA-N 392.547 3.754 0 40 GHAB Cc1cc(C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3cc(C)no3)CC2)on1 257211040 BXHLUVAAUMRRHE-WKILWMFISA-N 395.463 3.749 0 40 GHAB COc1cccc(Cc2cnc([C@@H]3CCCN3C(=O)c3cccc(C)n3)o2)c1 257323557 WKWFLLXJHANZBX-FQEVSTJZSA-N 377.444 3.955 0 40 GHAB CN1CC[C@@H](N(C)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)C1=O 552964908 BHGNXSFHCWUMEQ-HXUWFJFHSA-N 393.462 3.596 0 40 GHAB C[C@](CO)(NC(=O)[C@@H]1CCN(c2ccccc2)C1)c1cccc(C(F)(F)F)c1 616812798 MLOCDGMPWHBRCL-FOIQADDNSA-N 392.421 3.556 0 40 GHAB O=C(NCC[C@@H]1CC1(F)F)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 621418750 JPCCMNMZQPDFFF-HIFRSBDPSA-N 389.849 3.788 0 40 GHAB Cc1cccc(COc2ccc(NC(=O)N(C)[C@H]3C[C@@H](C(N)=O)C3)c(C)c2)c1 626368912 FUPHYFZHYLXSHT-HDICACEKSA-N 381.476 3.610 0 40 GHAB C[C@H]1Cc2ccc(Br)cc2CN1C(=O)Cc1cnn2ccccc12 648341801 LTGQODXKGSFKJS-ZDUSSCGKSA-N 384.277 3.613 0 40 GHAB COc1ccccc1CN(C)C(=O)c1ccccc1I 20455840 CDCYIFHRVLNXDE-UHFFFAOYSA-N 381.213 3.572 0 40 GHAB Cc1c(C(=O)O)sc2nc(/C=C/c3ccccc3OC(F)F)[nH]c(=O)c12 5901498 CHZJMGVWADKGMI-VOTSOKGWSA-N 378.356 3.763 0 40 GHAB CCn1nnc2cc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)ccc21 11361737 GMOFPBIWDASJRZ-UHFFFAOYSA-N 375.388 3.549 0 40 GHAB O=C(c1cccc(F)c1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19293520 FVSMPQGFABQVAT-UHFFFAOYSA-N 383.448 3.657 0 40 GHAB CCCC(=O)N1CC[C@@](Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)C1 19501022 IRTOUHCBEXHILH-DEOSSOPVSA-N 393.531 3.835 0 40 GHAB CCn1nc2c(c1C(=O)Nc1ccccc1OC[C@@H]1CCCCO1)CCCC2 19524113 WEHYVOUAIUTKKA-INIZCTEOSA-N 383.492 3.982 0 40 GHAB CCN(C(C)=O)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(c3ncccn3)CC2)C1 19712785 ZTQGDSLSLSACAN-SFTDATJTSA-N 394.519 3.604 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)o2)cc1C 19928021 AHVMMSQYIZOQTK-ZMSDIMECSA-N 387.505 3.662 0 40 GHAB COc1ccccc1CNC(=O)CSc1nnc2cc(C)c3ccccc3n12 5885996 XRPHDJOEWFNUNR-UHFFFAOYSA-N 392.484 3.608 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1 24747446 BLHSIGBZFJLMGZ-HXUWFJFHSA-N 386.517 3.776 0 40 GHAB COc1ccc(C(=O)Nc2cccc(I)c2)cc1OC 5443546 ZFIYUFZQQNDBTQ-UHFFFAOYSA-N 383.185 3.561 0 40 GHAB Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)OCC(C)C)CC2)n1 2056226203 MURINZQQHNYZSG-FQEVSTJZSA-N 387.524 3.889 0 40 GHAB CC(C)(C)c1cn2nc(OC[C@H]3CCN(c4cc(C5CC5)ncn4)C3)ccc2n1 2087045661 JQDQMTSRPFKBEK-HNNXBMFYSA-N 392.507 3.600 0 40 GHAB CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1S[C@H](C)CC 4087443 POIPMJJFVSATFX-CQSZACIVSA-N 376.526 3.907 0 40 GHAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)c1ccc(Cl)cc1 4327939 ABBARTNCEFFYCE-UHFFFAOYSA-N 381.848 3.815 0 40 GHAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc21 9164863 DULXBMZDYFUXQF-UHFFFAOYSA-N 380.444 3.993 0 40 GHAB COC(=O)c1ccc(NC(=O)Cc2csc(Nc3ccc(F)cc3)n2)cc1 16850187 YUWFSHNVQLCDOB-UHFFFAOYSA-N 385.420 3.994 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](O)c1ccc(-c2ccco2)s1 1775968918 PBJIRNZBPCLKDE-PXYYCUNGSA-N 383.425 3.600 0 40 GHAB O=C(CCn1cnc2ccccc2c1=O)N1CCS[C@H](c2cccs2)CC1 219467933 IPNYTUSHUKVJAI-SFHVURJKSA-N 399.541 3.555 0 40 GHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)OCO3)C1 77200105 FSCGEIDJMRWQSY-IAGOWNOFSA-N 382.416 3.705 0 40 GHAB CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)N2CCOCC2)cc1 4828203 JYDNBJHCNZOSOH-XDJHFCHBSA-N 398.528 3.675 0 40 GHAB C[C@@H](NC(=O)c1cccs1)C(=O)NCc1cccc(Oc2ccccc2)c1 32362549 XWEARCOEKVGNNT-OAHLLOKOSA-N 380.469 3.975 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1OC)n1nc(-c2ccc(C)cc2)ccc1=O 20095384 IBHPREIWGGTRDH-LJQANCHMSA-N 377.444 3.817 0 40 GHAB COC(=O)c1ccc(N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)nn1 40155550 CAHOERNENWLRHC-UHFFFAOYSA-N 397.454 3.642 0 40 GHAB Cc1ccc(CCC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 32376123 QEXASUNZJHJWBH-OAQYLSRUSA-N 386.923 3.771 0 40 GHAB CCOc1ccc(CN(C)[C@H](C)C(=O)NCc2ccccc2Cl)cc1OC 32797172 PHFILTPPLHMBAI-OAHLLOKOSA-N 390.911 3.884 0 40 GHAB Cn1ccc(C(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1=O 32764547 WVIQHVITMFJETJ-OAQYLSRUSA-N 378.497 3.845 0 40 GHAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2sccc2[C@@H]1c1ccccc1 52611492 PNVRPYZUCZTLIT-KUHUBIRLSA-N 380.469 3.634 0 40 GHAB O=C(NCc1cc(-c2ccccc2)no1)c1ccc(N2CCCCC2=O)cc1 52990119 RNPMHTUOECYPCE-UHFFFAOYSA-N 375.428 3.789 0 40 GHAB COc1ccccc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O 1394387 SBEWRLYITXTMHP-UHFFFAOYSA-N 389.333 3.512 0 40 GHAB O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3)c1ccc(F)cc1 1428191 WNQGZUUQLCIYCE-UHFFFAOYSA-N 393.443 3.869 0 40 GHAB COc1cc([C@H]2C[C@](C)(OC)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 1591361 DSHYVNYWJOQSQQ-SPLOXXLWSA-N 388.416 3.718 0 40 GHAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)cc1 2397079 XBNHPACHUVWHDJ-UHFFFAOYSA-N 399.495 3.871 0 40 GHAB Cc1cc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nc2ccccc12 2620308 NRRZVPTZWHQYLT-UHFFFAOYSA-N 397.525 3.923 0 40 GHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)CCC(=O)O 2657840 BBMMUTCDVDPEJZ-UHFFFAOYSA-N 381.407 3.502 0 40 GHAB O=C1C[C@@H](Nc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 3099387 WLNULOKRCNYSEM-CQSZACIVSA-N 379.641 3.847 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)OCCCn1c(=O)[nH]c2ccccc21 3568223 WXKYQDTUNQLATN-UHFFFAOYSA-N 377.400 3.540 0 40 GHAB Cc1ccc(SCC(=O)Nc2ccc(N3CCN(C)CC3)c(F)c2)c(C)c1 4053828 VGJLNUWAZCMSLC-UHFFFAOYSA-N 387.524 3.925 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)c1 4328019 SZOCAKXZSZBLNM-UHFFFAOYSA-N 390.472 3.534 0 40 GHAB COc1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)O 4785157 AUGNVNKLZLTBNE-YVLHZVERSA-N 399.424 3.708 0 40 GHAB CCOc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3C)c2=O)cc1 4853245 ANMKCWOPDDMWFB-UHFFFAOYSA-N 395.484 3.670 0 40 GHAB COc1ccc([C@@H]2CC(=O)c3cnc4[nH]n(-c5ccccc5)c(=O)c4c3C2)cc1 5428911 WJWAXRYRACPLIH-HNNXBMFYSA-N 385.423 3.635 0 40 GHAB COc1ccc(C)cc1NC(=O)COC(=O)COc1ccc(Cl)cc1Cl 5655771 WJBOQHIQGVVHCH-UHFFFAOYSA-N 398.242 3.871 0 40 GHAB O=C([C@H]1CCCN(Cc2ccncc2)C1)N1CCC(Cc2ccccc2)CC1 5813983 ZAJBBSLDNHIDGQ-QHCPKHFHSA-N 377.532 3.775 0 40 GHAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)COc1ccc(Cl)cc1C 5897294 STAIDEOZAPXPGE-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C2 5915196 ZFGVLKRKUBYNBG-ZBEGNZNMSA-N 391.411 3.722 0 40 GHAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccn1C 6355936 STYICFWLXXHLHE-ZICWZVMQSA-N 387.281 3.893 0 40 GHAB CCCC[C@H](NC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O)C(=O)O 6624233 RNKDIXHHQDECEJ-HNNXBMFYSA-N 399.443 3.767 0 40 GHAB biogenic CCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(OCC)cc2)C(C)C)cc1 6648474 CPXXAHZRSMDRGN-FQEVSTJZSA-N 384.476 3.877 0 40 GHAB Cc1ccc(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)cc1 6840656 RCADLQFRASLFJM-UHFFFAOYSA-N 381.501 3.731 0 40 GHAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cccc3ncccc23)CC1=O 6880378 UYJVEVLUMHDGMB-HNNXBMFYSA-N 375.428 3.543 0 40 GHAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccc(C)cc4)c3C)ns2)cc1 6914441 BYMGPVKWQKNUSO-UHFFFAOYSA-N 390.472 3.963 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(C)n1-c1ccc(Cl)cc1 6969516 DBMNFBGGDWOGQJ-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB O=C(CNC(=O)c1ccccc1OCc1ccccc1)Nc1ccc(F)c(F)c1 6994696 ZBZRPYNXFCSHSO-UHFFFAOYSA-N 396.393 3.912 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)o1)c1cccc(N2CCCC2=O)c1 7298006 WRPRNQSOMUCVFV-UHFFFAOYSA-N 393.468 3.762 0 40 GHAB COc1ccc(Cn2ccnc2SCC(=O)Nc2ccc(F)cc2F)cc1 7391821 LWHDVMLDZIKHTA-UHFFFAOYSA-N 389.427 3.949 0 40 GHAB CC[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3ccc(OC)cc3)cc2C1 8312991 IBMGJNKFJDCQOM-CQSZACIVSA-N 386.517 3.982 0 40 GHAB CCOc1cc(CNc2nnnn2CC)cc(Cl)c1OCc1ccccc1 8339917 UWWWRIIDQCQCDB-UHFFFAOYSA-N 387.871 3.936 0 40 GHAB Cc1cc(C)cc(C(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 9660945 SZUIPLWIRBXZLN-UHFFFAOYSA-N 381.863 3.611 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9709801 VVPSRTXTBPODQW-UHFFFAOYSA-N 383.839 3.654 0 40 GHAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)n1 11443386 UTTFHOXMHQFTBI-JTQLQIEISA-N 381.885 3.504 0 40 GHAB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3cccc(C)c3C)ccc21 11613030 NRAFFIMJZSSROL-UHFFFAOYSA-N 393.531 3.763 0 40 GHAB O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2)C1CCCC1 11613127 ARGUXDZLFUULQG-UHFFFAOYSA-N 384.501 3.562 0 40 GHAB CO[C@@H](C(=O)N1CCC[C@@H](c2ncncc2-c2cc(C)no2)C1)c1ccccc1 12118415 ZWBKPSROYNQVAN-DYESRHJHSA-N 392.459 3.534 0 40 GHAB Cc1nccc(-c2sc(C3CCN(C(=O)c4cccnc4)CC3)nc2C)n1 12186144 KPNWVOMFILQHDH-UHFFFAOYSA-N 379.489 3.632 0 40 GHAB O=C(CCCc1nc2ccccc2s1)N1CCN(c2ccccc2O)CC1 12527897 IFDZUEMYXDHVAS-UHFFFAOYSA-N 381.501 3.673 0 40 GHAB CCCS(=O)(=O)Nc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 12536167 PJPGGHTWYBMJTE-LBPRGKRZSA-N 393.534 3.672 0 40 GHAB O=C(NCCOc1ccccc1F)c1ccc(-n2cnc3ccccc32)cc1 12547815 STSHRYNQFGYMKZ-UHFFFAOYSA-N 375.403 3.973 0 40 GHAB COC(=O)c1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 12586436 UIYUTONODXTVTR-UHFFFAOYSA-N 387.867 3.777 0 40 GHAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(N2CCCCCC2)cc1 12596737 OSFKEFFIBZNQHZ-HXUWFJFHSA-N 379.460 3.795 0 40 GHAB C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 12741377 RPUHUWHQQUZIEU-QMMMGPOBSA-N 389.399 3.684 0 40 GHAB COc1ccc(C2=NN(C(=O)CN[C@H](C)c3ccco3)[C@@H](c3ccco3)C2)cc1 12772951 HOHPVAPRNMPMIN-DNVCBOLYSA-N 393.443 3.910 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 12777976 VARBDPXYYBMUCC-AWEZNQCLSA-N 395.528 3.982 0 40 GHAB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1C[C@@H]1CCCO1 12787294 UTIRKPMFKWKYIL-INIZCTEOSA-N 388.537 3.577 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 12791003 PAHAWRPEUKTURM-QMMMGPOBSA-N 385.121 3.679 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)N[C@@H](C)c3cc(C)ccc3C)C(=O)[C@@H]2C)cc1 12980925 SIIGTEHIMBUZJG-ROUUACIJSA-N 393.487 3.646 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(Cl)c1C)N(c1ccccc1)S(C)(=O)=O 13711259 FNROYACPSUKIAE-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccc[nH]2)o1 14093223 WTDJRCNIKBZEAP-UHFFFAOYSA-N 382.898 3.920 0 40 GHAB O=C(COc1c(Cl)cccc1Cl)N1CCN(Cc2ccccc2F)CC1 14161224 DWPGVKFMJBJSGH-UHFFFAOYSA-N 397.277 3.856 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C[C@H]2C=CCC2)c1 14633610 MZTDFNGNMUODPV-INIZCTEOSA-N 394.537 3.799 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 14796003 NZYCQUOZASUUCM-AWEZNQCLSA-N 390.867 3.512 0 40 GHAB FC(F)(F)c1cnc(N2CCN(Cn3cnc4ccccc43)CC2)c(Cl)c1 16350450 XGMFFZNSZGTJSZ-UHFFFAOYSA-N 395.816 3.883 0 40 GHAB O=C(Cc1csc(Nc2ccccc2)n1)N1CCN(c2ccc(F)cc2)CC1 16849994 SJKIHAWFUHQBLE-UHFFFAOYSA-N 396.491 3.917 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NCCSCc1ccccc1)(C3)C2 18032615 CIAPBQMRIWWAAF-IVCWUUCSSA-N 386.561 3.511 0 40 GHAB Cc1nc(C)n(C[C@@H](C)C(=O)Nc2nc(-c3ccc4c(c3)CCCO4)cs2)n1 19285961 MCRNCPQUGRLTKQ-GFCCVEGCSA-N 397.504 3.618 0 40 GHAB NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CCCC2)C1 19331602 FUQNGDMPDJGAFE-QFIPXVFZSA-N 382.529 3.852 0 40 GHAB O=C(c1ccccc1-c1ccccc1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 19374239 APAQWAVISYJGMC-IBGZPJMESA-N 398.510 3.809 0 40 GHAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(Cc2ccc(C(C)C)cc2)C3)C1 19453286 CDKKCBFPBHVYRG-OAQYLSRUSA-N 392.547 3.884 0 40 GHAB CCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 19530132 SSJBCOCGAHALTC-QFBILLFUSA-N 396.487 3.712 0 40 GHAB O=C1Nc2ccc(Cl)cc2[C@]12CC(O)=Nc1c2cnn1-c1cccc(F)c1 20728646 QQTPLHMYYVCQPA-IBGZPJMESA-N 382.782 3.895 0 40 GHAB Cc1cccc(CC(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)c1 21151749 GHZCKBXSOCAMMW-XMMPIXPASA-N 387.527 3.792 0 40 GHAB COc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)N2CCCC2)cc1 21911970 AZVHNWFZEJPIEE-LJQANCHMSA-N 388.895 3.681 0 40 GHAB CCc1cccc(C)c1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 22391428 LEUMZHUWTSKJDM-UHFFFAOYSA-N 388.533 3.887 0 40 GHAB Cc1ccc(-n2cc(C(=O)N(C)Cc3cnn(C)c3)c(-c3ccccc3)n2)cc1 24476264 YPYQSONFSPZNST-UHFFFAOYSA-N 385.471 3.853 0 40 GHAB S=c1n(CN2CCC[C@H]2c2cccnc2)nc(N2CCCCC2)n1C1CC1 24976120 FJPCFGBESXEEJS-SFHVURJKSA-N 384.553 3.929 0 40 GHAB CCOC(=O)C1=C(CNc2ccccc2Cl)NC(=O)N[C@H]1c1cccs1 24978741 HSSNDSOBIMHCHE-INIZCTEOSA-N 391.880 3.685 0 40 GHAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NS(=O)(=O)c1c(C)noc1C 28233601 VAVJKVJXLACKND-UHFFFAOYSA-N 394.884 3.607 0 40 GHAB CC(C)CN1C[C@H](C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1=O 30165587 FYCZTNCBAOUCFO-UTKZUKDTSA-N 382.529 3.727 0 40 GHAB C[C@@H]1CCc2sc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)cc2C1 30539777 JQFJVTHQRVORCJ-VQIMIIECSA-N 384.545 3.676 0 40 GHAB COC(=O)c1ccc(CS(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1 30759000 HCQCMDGDVIJEMW-LJQANCHMSA-N 375.490 3.680 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)Cc2ccccc2N2CCOCC2)o1 32215676 BVJUWXVQFWSNGP-DFUXMWMPSA-N 380.488 3.911 0 40 GHAB COC(=O)c1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)s1 32903970 DKRLHSWUEVJENA-GOSISDBHSA-N 389.473 3.823 0 40 GHAB CCCNC(=O)c1cc(I)c(OCCC)c(OCC)c1 33722989 DARHLFLOIYEZKS-UHFFFAOYSA-N 391.249 3.619 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1 35558772 FIPXBYCXTFGALO-INIZCTEOSA-N 379.435 3.645 0 40 GHAB Cc1ccc(Nc2nc(-c3cnc(N4CCCCC4)nc3C)cc(=O)[nH]2)cc1C 39383637 AUADCOARRVIAAN-UHFFFAOYSA-N 390.491 3.886 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cc3c([nH]c2=O)CCCC3=O)cc1 40057447 KSWWHVVVDOKPHJ-FQEVSTJZSA-N 394.471 3.660 0 40 GHAB CCOc1ccc(-c2nnc3sc(NC(=O)c4ccc(C)c(F)c4)nn23)cc1 41108803 HNFGRGSMVNFXOM-UHFFFAOYSA-N 397.435 3.951 0 40 GHAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(Br)s1 48310563 XNCBXRGQNVTJBZ-UHFFFAOYSA-N 376.279 3.685 0 40 GHAB COc1cccc(Cn2nccc2NC(=O)CSCc2ccccc2)c1OC 52773528 CPBQNRVGIADZKH-UHFFFAOYSA-N 397.500 3.821 0 40 GHAB Cc1cccc(-n2c(SCC(=O)N3CCCC3)nc3ccsc3c2=O)c1C 57488373 LMRZOFNSUCCCOS-UHFFFAOYSA-N 399.541 3.779 0 40 GHAB COc1ccc(N2C(=O)c3ccccc3N(C)[C@]23C(=O)Nc2ccccc23)cc1 58161799 ZBCSYBOWRKNZHM-QHCPKHFHSA-N 385.423 3.597 0 40 GHAB O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc(F)ccc1Br 58165916 OFYZDOWTZSUVDG-UHFFFAOYSA-N 379.164 3.560 0 40 GHAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CCC(n2cccc2)CC1 58617958 ZJEDEEYMLPFXJW-UHFFFAOYSA-N 380.492 3.902 0 40 GHAB O=C(NO[C@@H]1CCCCO1)c1ccc(Oc2cccc(Br)c2)nc1 62581590 JPLSCLGMPCJMHC-MRXNPFEDSA-N 393.237 3.824 0 40 GHAB O=c1c2cc(-c3ccc4c(c3)OCO4)nn2ccn1Cc1cccc(Cl)c1 64977509 MJRPFKQVGREVIU-UHFFFAOYSA-N 379.803 3.593 0 40 GHAB O=C(Nc1nc2c(s1)CCCCCC2)[C@H]1CCCN(C(=O)N2CCCC2)C1 65490951 YUUWXAOCTPFOIP-HNNXBMFYSA-N 390.553 3.668 0 40 GHAB Cc1csc([C@](O)(CC(=O)N2CCc3sccc3[C@@H]2C)C(F)(F)F)n1 67705932 LPZKTGBUGCFXMI-ZUZCIYMTSA-N 390.452 3.799 0 40 GHAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 71850896 GCYBQGQSZDUGTI-CYBMUJFWSA-N 377.441 3.756 0 40 GHAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2F)cc1 72026582 VYLYBKJTXWCZIE-UHFFFAOYSA-N 388.258 3.812 0 40 GHAB CCC(CC)[C@H](NC(=O)CSCc1coc(-c2ccccc2)n1)C(=O)OC 72300928 PJJJSHNXTWCMQH-SFHVURJKSA-N 390.505 3.669 0 40 GHAB Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)c[nH]2)c2cccnc12 72307489 NQCUVFJBRYFZLD-UHFFFAOYSA-N 396.447 3.551 0 40 GHAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 72345910 ZVDHFDULFMZZKX-KRWDZBQOSA-N 376.435 3.885 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1)Nc1nccs1 72353022 FEDCCULXCHATOT-INIZCTEOSA-N 398.467 3.591 0 40 GHAB COc1cccc(C(=O)N2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c1 72375139 BHITWSLAMIBADC-GOSISDBHSA-N 375.432 3.601 0 40 GHAB COc1ccccc1-c1ccc(=O)n(Cc2cccc(OC(F)(F)F)c2)n1 79490571 NGNGZKXUFNFWEN-UHFFFAOYSA-N 376.334 3.866 0 40 GHAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(c2ccc(O)cc2)CC1 89518804 LKAKLEFFRXCYMB-ZDUSSCGKSA-N 394.302 3.848 0 40 GHAB O=C(OCCc1ccccc1)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 89832413 SXQCOFMXRYQLLO-UHFFFAOYSA-N 389.238 3.939 0 40 GHAB O=C(Cc1ccsc1)Nc1ccccc1Cc1nc(-c2ccncc2)no1 96119648 KWNMHRRBQDHGCN-UHFFFAOYSA-N 376.441 3.965 0 40 GHAB CN(C)CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 97974720 DCFIJZOUZZCQOO-OAQYLSRUSA-N 396.487 3.710 0 40 GHAB in-vitro Cc1[nH]c2nc(NCc3ccccc3Cl)nn2c(=O)c1Cc1ccccc1 101267174 ILHNSWJVKZYNFK-UHFFFAOYSA-N 379.851 3.582 0 40 GHAB Cc1ccc([C@@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 101298311 SPINRZMXFNVZDB-IBGZPJMESA-N 388.427 3.736 0 40 GHAB O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1ccc(Cl)cc1 104188621 GVWVUCPUDOZTCE-YXUGBTPSSA-N 393.826 3.871 0 40 GHAB Cc1cc(C)cc(C[C@@H](C)CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 136753349 SOEFXGRFVYTYCH-HLAWJBBLSA-N 378.516 3.680 0 40 GHAB CC(C)Oc1cccc(CCCNC(=O)c2cccc(CN3CCOCC3)c2)c1 219245648 DLSVEPMFJQQVMW-UHFFFAOYSA-N 396.531 3.669 0 40 GHAB CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C)cc1 222750394 YAGYORZVFHMVIW-PMACEKPBSA-N 377.517 3.541 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C 222886651 LCKFWLONRBUNMZ-INIZCTEOSA-N 388.895 3.581 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223632294 FXDHYZZIEWYRSZ-QGZVFWFLSA-N 382.570 3.909 0 40 GHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)[nH]1 223916352 IZMHHTYIXNANSZ-PMACEKPBSA-N 377.517 3.961 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)c2)cc1 223954850 SBQMISHGIQTRQK-YRNRMSPPSA-N 384.501 3.714 0 40 GHAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(OC)c(F)c2)c1C 225116784 MBPJELJQIDYFNS-UHFFFAOYSA-N 395.452 3.535 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 225457333 RZDJAPAMIJYZRG-WOJBJXKFSA-N 380.532 3.912 0 40 GHAB Cc1cncc([C@H]2CCCN(C(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)C2)n1 257332265 XWMCAGKVECNPIL-BTYIYWSLSA-N 398.894 3.728 0 40 GHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OC(C)C 409140235 QAYNDMZHWWZILA-NTUHNPAUSA-N 399.852 3.647 0 40 GHAB Cn1c(C[C@H]2CN(Cc3ccccc3)CC[C@H]2CC(=O)O)nc2ccccc21 514289891 POBOQTGBPOEIIQ-OALUTQOASA-N 377.488 3.729 0 40 GHAB biogenic,in-vitro CCOc1ccc(CCC2CCN(c3cnn(C)c(=O)c3Cl)CC2)cc1 515357647 GNYQIMZCLGCRDQ-UHFFFAOYSA-N 375.900 3.682 0 40 GHAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc3c(OC)ccc(OC)c3[nH]1)CC2 524733391 OAKJQUHONFUZLV-HNNXBMFYSA-N 396.443 3.620 0 40 GHAB CN(C)C(=O)c1ccc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)cc1 578828401 UWLPNQDFQDUEEU-UHFFFAOYSA-N 392.546 3.978 0 40 GHAB Cn1ccnc1[C@H]1OCCC[C@@H]1N=c1nc(-c2cc(Cl)cc(Cl)c2)[nH]o1 585083215 BTRYQQNQTIMOTE-KBPBESRZSA-N 394.262 3.531 0 40 GHAB CC(C)Oc1ccc(C(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)cc1 585406473 CLHGNXIPWKSRSB-QFIPXVFZSA-N 375.472 3.995 0 40 GHAB COc1coc(C(=O)N2CCC[C@H]2c2ccc(OC)c3ccccc23)cc1=O 604419230 RUZBSOKLYOETQN-KRWDZBQOSA-N 379.412 3.788 0 40 GHAB C[C@@H]1CCn2ncc(C(=O)N3CCC([C@H](CC(=O)O)c4ccccc4)CC3)c2C1 621544415 WDXPTECZTFZOKQ-VQIMIIECSA-N 395.503 3.576 0 40 GHAB CN(Cc1ncccc1C(=O)O)CC1(c2ccc(Br)cc2)CC1 652424961 QCTQNXJUUXYSRK-UHFFFAOYSA-N 375.266 3.706 0 40 GHAB CN(C)CCOc1cc(-c2noc(C3(c4ccc(F)cc4)CCC3)n2)ccn1 680781971 OPOISPHYAUEEGW-UHFFFAOYSA-N 382.439 3.681 0 40 GHAB CCOc1ccc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 1615131323 UAEZRPOJUYDFOY-HSZRJFAPSA-N 398.478 3.622 0 40 GHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNC(=O)NC1CCCCC1 1775964053 PNAOKVYPDQGCPU-VRXWPRPYSA-N 383.536 3.692 0 40 GHAB biogenic,in-vitro O=C(c1cncc(F)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1 1775995674 DNPKKUOTSRQYIP-UHFFFAOYSA-N 383.345 3.566 0 40 GHAB COc1ccc(CN2CCC(NC(=O)Nc3ccccc3OC)CC2)cc1F 47322000 FIJTZQOAWVFPLR-UHFFFAOYSA-N 387.455 3.629 0 40 GHAB O=C1N=C(O)[C@@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1ccc(Cl)cc1 9089895 YMLQUSULRKRLFJ-UTKZUKDTSA-N 395.846 3.975 0 40 GHAB Cc1ccc2nc(CN3CCN([C@H](C)c4ccccc4Cl)CC3)cc(=O)n2c1 22934122 XONCSNPZGBUYNL-QGZVFWFLSA-N 396.922 3.535 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 810398 OHUPGOAWEWTSAF-UHFFFAOYSA-N 394.814 3.879 0 40 GHAB COc1cccc(-c2nc(CC(=O)N3CCO[C@@H](c4ccccc4)C3)cs2)c1 79473807 CKCOIZWRBLVBGN-HXUWFJFHSA-N 394.496 3.961 0 40 GHAB CCOC(=O)c1c(NC(=O)Cn2nc(C)cc2C)sc2c1CC[C@H](C)C2 4129251 UYHQBRPDPKJSHH-NSHDSACASA-N 375.494 3.502 0 40 GHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)oc3cc(C)ccc23)C1=O 4514011 UQUBSNHIIAXVNL-QFIPXVFZSA-N 394.402 3.598 0 40 GHAB CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O 23969144 CVSLBESRTDYUPO-LBPRGKRZSA-N 378.457 3.506 0 40 GHAB CCCCOc1ccc(-c2nnn(CC(=O)Nc3cc(C)cc(C)c3)n2)cc1 4973936 GSDBKKLETHBMHR-UHFFFAOYSA-N 379.464 3.775 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(C)n1-c1ccc(OC)cc1 6248025 RFTRDTRYCBLLLZ-UHFFFAOYSA-N 382.489 3.878 0 40 GHAB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)c1 6680488 ZHTISFQBLYONHL-UHFFFAOYSA-N 378.519 3.792 0 40 GHAB Cn1nc(C(=O)Nc2ccc(Br)cc2Cl)c2ccccc2c1=O 6790226 ZRUDUMCBRUKNJD-UHFFFAOYSA-N 392.640 3.602 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C(C)C)CC2=O)cc1 7429609 WVNHHYWVMJJYQR-KRWDZBQOSA-N 394.471 3.653 0 40 GHAB O=C(COC(=O)c1cc(Cl)ccc1O)Nc1ccc(OC(F)(F)F)cc1 7506026 OQDORMSQRQUMPR-UHFFFAOYSA-N 389.713 3.740 0 40 GHAB COc1cc(CNn2cnnc2)cc(Cl)c1OCc1ccccc1Cl 7602505 ZLOUZMOTHCPOFQ-UHFFFAOYSA-N 379.247 3.916 0 40 GHAB Cc1cc(C)c(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1 7872059 HEKQOUZGUUQAOJ-OAHLLOKOSA-N 378.469 3.544 0 40 GHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cc(OC)ccc2OC)CC1=O 7928212 IWJAJUGVABDFLO-KRWDZBQOSA-N 396.487 3.820 0 40 GHAB CCN(C[C@H]1COc2ccccc2O1)C(=O)/C=C/c1nc2ccccc2s1 7981151 KTWPXUNYXAWDAA-RUMSDORHSA-N 380.469 3.998 0 40 GHAB Cc1cccc(-c2cc3nc([C@@H]4CC(=O)N(Cc5ccccc5)C4)cc(O)n3n2)c1 100775887 NWANRCNMUSHQPX-LJQANCHMSA-N 398.466 3.926 0 40 GHAB COc1cc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc(OC)c1OC 12556252 FZYIXQHWBVFTCY-UHFFFAOYSA-N 385.445 3.813 0 40 GHAB O=C(COC(=O)c1ccccc1Oc1ccccc1)NCCc1ccccc1 3252222 YSWDRZUVKVDKDN-UHFFFAOYSA-N 375.424 3.995 0 40 GHAB COc1ccc2c(c1)CN(C(=O)C1(c3ccc(Cl)cc3)CCOCC1)CC2 57409066 SGLOISJBKAYJBX-UHFFFAOYSA-N 385.891 3.982 0 40 GHAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cc(F)c(F)cc2Cl)n1 3211299 CHGYWUPZZCVOLP-UHFFFAOYSA-N 377.782 3.771 0 40 GHAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2Cl)c1=O 57525842 XXRHZNJXJLCSQG-UHFFFAOYSA-N 399.878 3.501 0 40 GHAB O=C(CCNC(=O)c1ccco1)NCc1ccc(Oc2ccc(F)cc2)cc1 12625147 ARVGPNLYNCLABY-UHFFFAOYSA-N 382.391 3.647 0 40 GHAB CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 27581446 WBICNCHYPNTRHC-OAQYLSRUSA-N 382.504 3.587 0 40 GHAB Cc1ccc(NC(=O)Cn2ncc(-c3ccc(Cl)cc3)nc2=O)cc1Cl 44804098 ZOFQYGOSLJNLJO-UHFFFAOYSA-N 389.242 3.559 0 40 GHAB CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1 2149081 QHTBQUSZUMRWDO-SFHVURJKSA-N 395.411 3.794 0 40 GHAB biogenic CCNC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(OCC)cc1 3360920 GKAUZFQYRRHXCV-UHFFFAOYSA-N 396.516 3.870 0 40 GHAB COc1ccccc1OCC(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N(C)C 28289311 MOCVTEQGMLRBTM-LJQANCHMSA-N 384.520 3.791 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(NC(=O)C(C)C)cc3)CC2=O)cc1 11713025 JFYCGKDSXDETNH-KRWDZBQOSA-N 393.487 3.835 0 40 GHAB COC(=O)/C=C/c1ccc(OCC(=O)c2ccc(OC(F)F)cc2)c(OC)c1 29696509 KIVOGLIZYQCHRJ-ONNFQVAWSA-N 392.354 3.745 0 40 GHAB O=C(O)c1ccc(CNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 20152190 IGJZHLMOLDERQD-UHFFFAOYSA-N 390.464 3.856 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NC1CCCCC1 27392794 YQUQFZJZYBZWLG-UHFFFAOYSA-N 390.480 3.997 0 40 GHAB COC(=O)c1ccc(CNC(=O)Cc2csc(-c3cccc(C)c3)n2)cc1 13001381 NTLLTUPDNOTMTN-UHFFFAOYSA-N 380.469 3.764 0 40 GHAB C[C@@H](NCCCOc1cccc(Cl)c1)c1cccc(NS(C)(=O)=O)c1 96012816 WUCZBEULYQMSPL-CQSZACIVSA-N 382.913 3.831 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 97212274 XNLRRFJEFJPXDP-UHFFFAOYSA-N 388.272 3.684 0 40 GHAB COc1cccc(-c2noc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)c1OC 9318078 UVDRBRZSZVIFFP-GFCCVEGCSA-N 399.834 3.928 0 40 GHAB Cc1ccc(N2CC[C@H](C(=O)N3CCC(n4c(C)ccc4C)CC3)C2=O)cc1C 65522390 ATHLAQCVWNBCMZ-JOCHJYFZSA-N 393.531 3.938 0 40 GHAB CS(=O)(=O)NCCc1ccc(-c2csc(NC3CCCCC3)n2)cc1 14102860 IGXUSIFJWJJQIO-UHFFFAOYSA-N 379.551 3.646 0 40 GHAB C[C@@H](OC(=O)c1ccc(Br)o1)C(=O)Nc1ccc(F)c(F)c1F 5506960 FBYCWZVRXVCIPU-ZCFIWIBFSA-N 392.127 3.643 0 40 GHAB CCN(CC)C(=O)Cn1cc(/C=C2\SC(=O)N(CC)C2=O)c2ccccc21 409127045 CEFHBZNFRJSGFV-BOPFTXTBSA-N 385.489 3.566 0 40 GHAB Cc1ncsc1CN1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306128912 HOGDWFJITCZMBD-GOSISDBHSA-N 390.516 3.936 0 40 GHAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1C 6887226 KIRDFMXGHKQDHU-OAQYLSRUSA-N 384.863 3.915 0 40 GHAB COc1cc(CC(=O)Nc2nc3ccccc3nc2N2CCCC2)ccc1C 9503843 OWDXYQXVNOZSRA-UHFFFAOYSA-N 376.460 3.728 0 40 GHAB COc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c1 9576987 AILSSSOZPXUMRW-QGZVFWFLSA-N 377.444 3.667 0 40 GHAB CCC[C@@H](NC(=O)CN1CCC(c2nnc3ccccn23)CC1)c1ccccc1 67443558 DZBHTVLFPKVAAJ-HXUWFJFHSA-N 391.519 3.566 0 40 GHAB Cc1cc2occ(CC(=O)N3CCC[C@H]3C(=O)Nc3nccs3)c2cc1C 71802047 YQBAXWBUNOUPBY-INIZCTEOSA-N 383.473 3.678 0 40 GHAB C[C@@H](OC(=O)CCSc1ccc(F)c(F)c1)c1nc2ccccc2c(=O)[nH]1 7213413 KXNUUAJSJALVKK-LLVKDONJSA-N 390.411 3.988 0 40 GHAB C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 7779065 IHKPMEAKKPPXQY-YJBOKZPZSA-N 375.428 3.677 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 8056791 BRASVTJWXDZYHM-ZDUSSCGKSA-N 392.546 3.812 0 40 GHAB O=C(c1cncc(Br)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8185820 AGXIRTDDWXOEAO-HNNXBMFYSA-N 389.249 3.593 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cn4c(C)cccc4n3)n2)cc1 8135841 XQZAJMNJJDOETR-UHFFFAOYSA-N 391.456 3.977 0 40 GHAB COc1cccc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 8156069 ZFKDFMHYHGOVFF-UHFFFAOYSA-N 378.394 3.605 0 40 GHAB CC(=O)c1cccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 8310284 OFQVQDHKDWCVDO-HXUWFJFHSA-N 394.471 3.826 0 40 GHAB COc1ccc(-c2cnn3c(=O)c(Cc4ccccc4)c(C)[nH]c23)cc1OC 18217600 GHBCLKJSGCUTRF-UHFFFAOYSA-N 375.428 3.606 0 40 GHAB COc1ccc([C@@H](CC(=O)Nc2nc3ccc(F)cc3s2)NC(C)=O)cc1 8704401 WJCZMHBXMJNSQS-MRXNPFEDSA-N 387.436 3.650 0 40 GHAB COc1ccc2nc(C3CC3)cc(C(=O)N3CCC(n4ccnc4)CC3)c2c1 89467067 CXTZIDHRBIAIOC-UHFFFAOYSA-N 376.460 3.795 0 40 GHAB COc1ccc(NC(=O)C[C@@H](C)NC[C@@H](c2cccs2)N2CCCC2)cc1 23249369 CEGXHAUTNCZCFV-APWZRJJASA-N 387.549 3.901 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc(F)cc2Cl)nc(N2CCC[C@H](C)C2)n1 65101742 KWFLXUBGEVKPDX-LBPRGKRZSA-N 392.862 3.831 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 409200282 KNTNDZFFYNTRPK-UHFFFAOYSA-N 394.924 3.906 0 40 GHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2)C12CCCC2 32093214 QHFHQLSUEQUBDX-HXUWFJFHSA-N 396.462 3.963 0 40 GHAB O=C(O)CCc1cccc(NC(=O)c2ccccc2OCc2ccncc2)c1 525979057 JADYNRSCGRSCMG-UHFFFAOYSA-N 376.412 3.930 0 40 GHAB COc1ccc([C@@H](NC(=O)NCc2ccc(Br)s2)C2CC2)cn1 527652351 NMZBJWTVDPROAB-HNNXBMFYSA-N 396.310 3.865 0 40 GHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 72378917 OQQJORJCDDBHEO-LJQANCHMSA-N 378.451 3.875 0 40 GHAB CCc1cccc2sc(N3CCN(C(=O)NCc4cccs4)CC3)nc12 38550818 CHAPCHIHCIJLHT-UHFFFAOYSA-N 386.546 3.952 0 40 GHAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc(S(C)(=O)=O)cc1 219074914 QCNSQNHCXUKZFX-LPHOPBHVSA-N 389.517 3.742 0 40 GHAB COc1cccc2sc(N(C)CC(=O)Nc3cccc(OC(F)F)c3)nc12 70973453 XHZCHKNGANKTCO-UHFFFAOYSA-N 393.415 3.981 0 40 GHAB Fc1cccc(-c2ccc(CN3CCn4c(nnc4[C@H]4CCCN4)C3)cc2)c1 72373965 DLTOFWDZSICXMF-HXUWFJFHSA-N 377.467 3.525 0 40 GHAB O=C(Oc1ccc(Cl)cc1Cl)c1ccc(CN2C(=O)CCC2=O)cc1 32737974 FVUPPHXHDJIQRX-UHFFFAOYSA-N 378.211 3.862 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NCC1CCN(c2ccncc2)CC1 70928743 CHCVNTHISTWESG-UHFFFAOYSA-N 394.302 3.800 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219569526 ILRZNWYXIXNDLB-QGZVFWFLSA-N 395.459 3.870 0 40 GHAB Cc1ccc(CN(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1 222958104 TYXLOTYLSRTGLY-UHFFFAOYSA-N 382.485 3.549 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(C)c(C)c2)c(C)c1 226037801 SAGQWIIAGWLSKD-UHFFFAOYSA-N 388.533 3.512 0 40 GHAB CCS(=O)(=O)c1ccc2oc([C@H]3CCN(C(=O)C4CCCCC4)C3)nc2c1 49168777 YDZPEKBDMJBHDO-HNNXBMFYSA-N 390.505 3.518 0 40 GHAB biogenic,in-vitro CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F 225247400 IFTKLRHGXPUPSM-HOTGVXAUSA-N 388.458 3.839 0 40 GHAB Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1N1CCCCS1(=O)=O 222574336 DTYHXDYWHVGKED-HXUWFJFHSA-N 398.528 3.732 0 40 GHAB CC(C)NC(=O)c1ccccc1NC(=O)CN(Cc1ccco1)C1CCCC1 48369092 MTXCWLAEBJVNAP-UHFFFAOYSA-N 383.492 3.801 0 40 GHAB CN1CCC(Oc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)CC1 225327878 VLZXRCGAHPHSLT-UHFFFAOYSA-N 394.515 3.847 0 40 GHAB Cc1ccccc1CN(C(=O)Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C 224141747 KUHGPFJGWKQZKD-SFHVURJKSA-N 384.495 3.866 0 40 GHAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)NCc1cccn1-2 225380116 WSAMXHPUZBSKLH-AWEZNQCLSA-N 377.469 3.840 0 40 GHAB Cc1cc(NC(=S)NCCCN2CCC(C)CC2)ccc1N1CCCC1=O 225437544 RRBFMQDJSVQRCV-UHFFFAOYSA-N 388.581 3.530 0 40 GHAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2C)c1 224525964 QQBPYIXDTPWZFP-VQTJNVASSA-N 378.501 3.914 0 40 GHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCc1ccc(F)cc1 225129004 LNQDHCHHSUXHMS-QNGOZBTKSA-N 392.430 3.857 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)NCc2nc3ccccc3n2C(C)C)c1C 96118390 PKFZXCJMAJTVQE-UHFFFAOYSA-N 382.464 3.669 0 40 GHAB O=C(c1ccccc1Cl)N1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1 98211775 AFIADNQINMQYJM-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB Cc1cc(C(=O)N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)c(C)o1 1889133971 XLBPBPOGWKDBLS-CZUORRHYSA-N 379.382 3.661 0 40 GHAB CN(C)[C@@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1cccs1 79105770 HIBUUINSJFJKDY-AWEZNQCLSA-N 393.361 3.777 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)N[C@H]1COc2ccccc21 58621545 XAJBKXZCKNZBRD-SFHVURJKSA-N 386.473 3.658 0 40 GHAB CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccccc2F)NC(=S)N1 5296556 IQZBTDOEEBFJCQ-INIZCTEOSA-N 377.391 3.535 0 40 GHAB COc1cc(C=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 5959976 JBPUITNCRQTSPC-UHFFFAOYSA-N 392.249 3.905 0 40 GHAB Cc1cc(OCC(=O)OCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)ccc1Cl 5994378 GYOXBQBCIJQOTO-BTYIYWSLSA-N 393.911 3.998 0 40 GHAB O=C(CCCn1nc(-c2cccs2)ccc1=O)Nc1ccc(F)c(F)c1 13698556 UFKYAVPRPWRHFO-UHFFFAOYSA-N 375.400 3.669 0 40 GHAB COc1cccc(NC(=O)CSc2nccn2Cc2ccccc2OC)c1 15825605 UJBPBELUYMAABH-UHFFFAOYSA-N 383.473 3.679 0 40 GHAB COc1cc(C(=O)N[C@H](c2ccccc2)c2cccnc2)cc(OC)c1OC 15839603 UUVBGHQFKNGQSV-HXUWFJFHSA-N 378.428 3.627 0 40 GHAB CSc1nnnn1-c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 15869103 JCXKZJVATSZULF-UHFFFAOYSA-N 394.485 3.760 0 40 GHAB O=C(COC(=O)c1csc(-c2ccc(Cl)cc2)n1)NCc1ccco1 16457053 PIDLTONSSOIJSV-UHFFFAOYSA-N 376.821 3.530 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cn1 19214870 NVYZNFCKIWYMAY-DAXOMENPSA-N 393.413 3.871 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[C@H](C)n2nnc3ccccc32)c1 19455240 SAGKIWNTEFJREL-KXBFYZLASA-N 394.475 3.763 0 40 GHAB COCCNC(=O)c1cc([C@H]2CCCN(Cc3cccc4ccccc34)C2)no1 19593548 MWUYBMDKSSXSKZ-IBGZPJMESA-N 393.487 3.584 0 40 GHAB CCOC1CCN(C(=O)c2cc(-c3cnn(CC)c3)nc3ccccc23)CC1 19716470 IBBDESOWBRABIP-UHFFFAOYSA-N 378.476 3.759 0 40 GHAB COc1ccc(CCCn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)cc1 19719965 GICULKCITVRHOJ-UHFFFAOYSA-N 390.487 3.690 0 40 GHAB C[Si](C)(C)c1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc([Si](C)(C)C)c1 169746726 VVTNSTLJOVCBDL-UHFFFAOYSA-N 385.612 3.728 0 40 GHAB investigational O=C(CSCc1ccccc1)N1CCN(Cc2nc(C3CC3)cs2)CC1 23137227 OFHFUXBZNWACHM-UHFFFAOYSA-N 387.574 3.598 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cc(Cl)ccc1O 5746705 JIJDRECDUZXBLU-UHFFFAOYSA-N 399.834 3.644 0 40 GHAB CCc1ccc2c(CSc3nnnn3-c3cccc(C)c3)cc(=O)oc2c1 6619891 WQEPYXDFOLLEDP-UHFFFAOYSA-N 378.457 3.932 0 40 GHAB COC(=O)c1cc(OCc2cccc(Br)c2)cc(C(=O)OC)c1 22040004 PLIUMWNQJQCQRM-UHFFFAOYSA-N 379.206 3.601 0 40 GHAB COc1ccc(Cl)cc1C(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O 4032748 DILRXRIBBOTXQD-UHFFFAOYSA-N 384.863 3.779 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)s1 5099675 VODFODZHYMZWLF-UHFFFAOYSA-N 378.519 3.793 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(N2CCCC2=O)c(C)c1 5329323 MCZLFBHVACIZKI-UHFFFAOYSA-N 388.489 3.548 0 40 GHAB CC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)c2ccccn12 10272879 LHDCVUZVFUSKAX-UHFFFAOYSA-N 388.782 3.730 0 40 GHAB O=C1O[C@]2(CCCN(C(=O)c3ccccc3Br)C2)c2ccccc21 211112442 NJZOZLICNJBKRY-IBGZPJMESA-N 386.245 3.751 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575616494 JTNKJYPZSXHQSI-FLVLSHQESA-N 393.874 3.927 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 575611404 VCJSSOQGSLJKQM-CQSZACIVSA-N 397.905 3.982 0 40 GHAB C[C@@H]1CCc2cc(F)cc3c(=O)c(C(=O)NCCCc4ccccc4)c(O)n1c23 6166562 LSULBJMJYUGLHI-CQSZACIVSA-N 394.446 3.716 0 40 GHAB O=C(NC[C@H](O)c1ccc2c(c1)CCO2)NC(c1ccccc1)c1ccccc1 90611428 XFKKXENQLNHMOV-NRFANRHFSA-N 388.467 3.744 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccc(OCCn3cncn3)c2)o1 40139145 IHYZULRBGAFCGS-ZUWQMALMSA-N 378.432 3.725 0 40 GHAB C[C@H](NC(=O)C1CCN(C(=O)NCc2ccco2)CC1)c1cccc(Cl)c1 40130149 YEPBOENABPYMSK-AWEZNQCLSA-N 389.883 3.732 0 40 GHAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 31176074 IGKRBJBUARZRGL-UHFFFAOYSA-N 388.471 3.710 0 40 GHAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)NCc1ccccc1 100464844 LUCNPGYQZPLHCC-UHFFFAOYSA-N 383.451 3.861 0 40 GHAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O 51357700 RFTQWZKLBKKLTE-UHFFFAOYSA-N 393.487 3.609 0 40 GHAB CN(CCOc1cccc(Cl)c1)C(=O)CCNC(=O)c1ccccc1Cl 32788212 YGWOCFOTCCUBRF-UHFFFAOYSA-N 395.286 3.651 0 40 GHAB CCc1ccc(-c2csc(NC(=O)c3ccc(-n4cnnn4)cc3)n2)cc1 21448037 IGGABCUQLSNOJH-UHFFFAOYSA-N 376.445 3.601 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 32841561 XQHLFOZERIMGOD-ZDUSSCGKSA-N 378.881 3.879 0 40 GHAB CCc1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)cc1 32893328 LKPUPBDHINQZGX-UHFFFAOYSA-N 396.516 3.741 0 40 GHAB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C 102955142 ZLRKOXGHYJOIQM-HLLBOEOZSA-N 388.537 3.742 0 40 GHAB CCOC(=O)c1c(NC(=O)c2cc(C)cc(C)c2)sc(C(=O)OC)c1C 679698 BLPVHHUQWHCQOR-UHFFFAOYSA-N 375.446 3.889 0 40 GHAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 22790182 CFQZUFSGKYLOHN-HYVMVLATSA-N 377.532 3.583 0 40 GHAB COc1cccc([C@@H](CNC(=O)c2cccc3cccnc23)N2CCCC2)c1 22881132 MXZUIKFUIVGLOQ-OAQYLSRUSA-N 375.472 3.810 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 780423 POPRRQUCCWGTME-UHFFFAOYSA-N 386.835 3.560 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2)c(C(=O)OCC)c1C 846498 AYWHFJFYNWKVPH-UHFFFAOYSA-N 379.409 3.801 0 40 GHAB CNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 879059 VLEPNWKGUZMKMO-UHFFFAOYSA-N 383.492 3.791 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)c1C 938923 SIARYZBUVRANMY-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(C)=O)cc2c1 1366999 FNESSKWXTCVEKD-UHFFFAOYSA-N 378.472 3.826 0 40 GHAB Cc1ccc(C)c(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)c1 1784883 UKCKYWGARCDUOA-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB CCCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12 2441776 KEJWFFQOKDJENX-UHFFFAOYSA-N 390.443 3.790 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(OC)cc1 2453602 GLPUXCWNZXGRQC-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB O=C(COC(=O)COc1ccccc1Cl)Nc1ccccc1OC(F)F 2623784 CCTMNERXODMUJJ-UHFFFAOYSA-N 385.750 3.502 0 40 GHAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(O)c2)nc1 2704665 NNYOVCUVGRANPP-HXUWFJFHSA-N 384.391 3.952 0 40 GHAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2F)c1 2723136 VQURADYAUNDPDS-UHFFFAOYSA-N 375.400 3.890 0 40 GHAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1ccc2c(c1)OCO2 3240238 BGPMAZUFIAGBTR-UHFFFAOYSA-N 385.391 3.548 0 40 GHAB CC(C)NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 3319488 CKDQNBGMVWYNDR-UHFFFAOYSA-N 399.541 3.553 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COc2ncnc3sc4c(c23)CCC4)c1C 3421276 MVKNHPMKACRFSQ-UHFFFAOYSA-N 399.472 3.563 0 40 GHAB O=C(COc1ccc(Br)cc1Cl)NC(=O)NCc1ccccc1 3445014 GGMUDYUNPUYRHK-UHFFFAOYSA-N 397.656 3.507 0 40 GHAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 3608486 SLEZGHYOAVOMEP-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB CCCOCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)cc1)C2 4910176 ZEUDLCIDQMAGNI-INIZCTEOSA-N 385.460 3.828 0 40 GHAB C[C@H]1C[C@@H](C)CN2c3cc(Cl)ccc3CC3(C(=O)OC(C)(C)OC3=O)[C@@H]12 4915529 FYAHIASZIXZWBI-BFQNTYOBSA-N 377.868 3.570 0 40 GHAB Cc1cc(C)cc(-n2nnc3c(=O)n(Cc4ccc(C(F)(F)F)cc4)cnc32)c1 5057300 JQNQTGGMYXGJFV-UHFFFAOYSA-N 399.376 3.661 0 40 GHAB CCCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)c(=O)c2ccccc2n1C 5322632 HTCJNKYBJODPMF-UHFFFAOYSA-N 380.444 3.961 0 40 GHAB COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1c(F)cccc1F)CC2 5450929 ANVLZTNGZGESTE-GFCCVEGCSA-N 376.403 3.540 0 40 GHAB COc1cccc(CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)c1 6066731 LQPROZMJHUXWPR-KRWDZBQOSA-N 382.485 3.876 0 40 GHAB CCN(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 6205039 VLHYYDUIUWDKGL-UHFFFAOYSA-N 380.897 3.606 0 40 GHAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(OC(F)(F)F)cc1 6384163 KGLUDTDJPWOWHI-UHFFFAOYSA-N 392.333 3.791 0 40 GHAB COC(=O)c1cc(OC(=O)c2cc3ccccc3cc2OC)cc(C(=O)OC)c1 6587730 IJKMRWRXIANJFF-UHFFFAOYSA-N 394.379 3.641 0 40 GHAB O=S(=O)(N[C@@H]1Cc2ccccc2[C@@H]1N1CCCCCCC1)c1ccccc1 6651949 WKXSTHYPYVTLJS-YADHBBJMSA-N 384.545 3.897 0 40 GHAB Cc1sc2ncnc(SCC(=O)NCCc3ccc(F)cc3)c2c1C 6839603 OMZKOZBNVSTEKV-UHFFFAOYSA-N 375.494 3.898 0 40 GHAB CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccc(OC)cc1 6847062 ONLBRAZIGAAXBV-GOSISDBHSA-N 396.516 3.895 0 40 GHAB C[C@H](C(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 7266724 WRRYRJZXLDPRJW-GFCCVEGCSA-N 386.323 3.701 0 40 GHAB Cc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 7990189 SDLFUNMRJMOAST-AWEZNQCLSA-N 388.272 3.796 0 40 GHAB C[C@H](NC(=O)CNC(=O)c1ccc(Br)cc1)c1cccc(Cl)c1 8033899 FYRAYUVCJXFCSY-NSHDSACASA-N 395.684 3.710 0 40 GHAB COc1ccc(NC(=O)COc2ccc(C(=S)N3CCCCC3)cc2)cc1 8157537 TVPNFEKHRIJYDA-UHFFFAOYSA-N 384.501 3.874 0 40 GHAB COc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)c1 8434351 WWRAFPXBYVUGRW-RTBURBONSA-N 378.428 3.627 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)CSc1ncc(-c2ccccc2)[nH]1 8769859 PWCJZVXWVODYMF-UHFFFAOYSA-N 381.457 3.984 0 40 GHAB CC(C)(C)c1ccc(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 9660898 AVAWAGGSTTVJGU-UHFFFAOYSA-N 393.462 3.777 0 40 GHAB O=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccc(Cl)cc1 9660932 RYFPKPGOBFZNQK-UHFFFAOYSA-N 388.254 3.647 0 40 GHAB O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)NCc1cccs1 9785139 XOUPUYGEQLWBBW-UHFFFAOYSA-N 378.523 3.518 0 40 GHAB O=C(Cn1c(CO)cnc1SCc1c(F)cccc1Cl)NC1CCCC1 9827621 HMPZEQVNWTZPCC-UHFFFAOYSA-N 397.903 3.519 0 40 GHAB COc1cccc(CNc2nccn(-c3cc(C)c(Cl)cc3OC)c2=O)c1 10273237 WJDIDELRELWJJG-UHFFFAOYSA-N 385.851 3.824 0 40 GHAB COc1cccc(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)c1 12329706 KHXQUOGDXLNRPC-UHFFFAOYSA-N 391.397 3.531 0 40 GHAB Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1C[C@@H]1COc2ccccc2O1 12567659 NNTNVRSLMPMUJU-MRXNPFEDSA-N 396.516 3.504 0 40 GHAB COc1cc(C2=NN=C(N[C@@H]3CCCC[C@H]3C)SC2)cc(OC)c1OC 12797715 GCHFNXMRXQKPCQ-TZMCWYRMSA-N 377.510 3.688 0 40 GHAB CCCCOc1ccc(C(=O)NCC(=O)N[C@@H](C)CCc2ccccc2)cc1 12805249 OXEMWRXJSBFZFT-SFHVURJKSA-N 382.504 3.733 0 40 GHAB Cc1ccc(S(=O)(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1C 12817615 QLQRQDOJMFNFIV-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB O=C1OC(c2ccc(OC(F)F)cc2)=N/C1=C\c1cnn(Cc2ccccc2)c1 12853623 IUPDHFXTCPNKKI-ZDLGFXPLSA-N 395.365 3.877 0 40 GHAB CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@H]1C 13005118 SVTOWOIUACGCBL-OAHLLOKOSA-N 385.533 3.692 0 40 GHAB CN(Cc1ccccc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 13013369 CUQKRFWQYVGJLZ-UHFFFAOYSA-N 375.472 3.785 0 40 GHAB CN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 13015758 ITRWMCIMRVXQDV-GFCCVEGCSA-N 393.306 3.522 0 40 GHAB CCOC(=O)c1sc(N(C(=O)/C=C/c2cnn(C)c2C)[C@H](C)CC)nc1C 13961419 WIXBVQCWPDNCRU-BZYZDCJZSA-N 390.509 3.515 0 40 GHAB COc1ccc(-c2noc(COC(=O)c3sccc3-n3cccc3)n2)cc1 14173361 DRXHHUXFXVRHJE-UHFFFAOYSA-N 381.413 3.954 0 40 GHAB C[C@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)Nc1cccnc1Cl 14855366 RFBFKNZRVZPURB-LXKVQUBZSA-N 381.819 3.867 0 40 GHAB CCc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1 15065449 SGJMISOKPTWCGI-GOSISDBHSA-N 377.492 3.592 0 40 GHAB NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl 15432132 XQLHJZPLAQFORB-UHFFFAOYSA-N 379.652 3.547 0 40 GHAB CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)c(C)cc1OC 16780203 PGZGPXWISXSGJT-GFCCVEGCSA-N 376.316 3.719 0 40 GHAB Cc1cc(C)c2nc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)sc2c1 18078335 MZZDJEWXXQWYHM-UHFFFAOYSA-N 383.473 3.997 0 40 GHAB CN1CCc2nc([C@@H]3CCN(C(=O)c4ccccc4-c4ccccc4)C3)ncc2C1 19590644 JRFANEOTSZEVPJ-LJQANCHMSA-N 398.510 3.761 0 40 GHAB CCOC(=O)Cn1c(=N)n(CCOc2cccc3ccccc23)c2ccccc21 20130029 BQYPIWVMUQHRPT-UHFFFAOYSA-N 389.455 3.718 0 40 GHAB C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 22061719 WKLORKLFLMTHHY-WEXCICBUSA-N 392.580 3.565 0 40 GHAB CC[C@@H](NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)c1ccc(C)cc1 22192680 KRULWWLFFRUYAT-MRXNPFEDSA-N 386.414 3.973 0 40 GHAB CC[C@@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(C)cc1C 22327157 VTMZOYJVHQCPRR-LJQANCHMSA-N 388.533 3.645 0 40 GHAB COc1ccccc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 22390221 LGRSEOVSPIENOG-UHFFFAOYSA-N 397.481 3.834 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)CCCc2c[nH]c3ccccc23)c1 24152984 HOIYUCPEULMRJO-UHFFFAOYSA-N 386.473 3.629 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)Cc2ccc(C)c(C)c2)c(OC)c1 24841349 MXXFNVURMYFCQA-UHFFFAOYSA-N 379.460 3.747 0 40 GHAB CSc1nc(C)c(CCC(=O)O[C@H](C)C(=O)c2ccc(F)cc2)c(C)n1 26706232 IGVHPAKXMRHAOV-CYBMUJFWSA-N 376.453 3.702 0 40 GHAB COc1ccccc1OCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1 27980354 UCUHRCAZNHSSIW-UHFFFAOYSA-N 381.384 3.526 0 40 GHAB Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)cc2)n1 29787808 UKWLCHVOJLUJFU-MRXNPFEDSA-N 398.532 3.688 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3cc(-c4cccc(OC)c4)nn32)cc1 32096049 ZICOLVKZPFPEFV-GOSISDBHSA-N 392.415 3.739 0 40 GHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2noc(-c3ccc(C)cc3)n2)C1=O 32905968 CZKAJVAOXHXXCT-NRFANRHFSA-N 394.406 3.541 0 40 GHAB COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 33570578 OFXWXCWPFUWHIE-OAHLLOKOSA-N 394.427 3.624 0 40 GHAB C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccc(C(=O)NN2[C@@H](C)CCC[C@H]2C)cc1 35191312 QFROWPANECRLGK-USTZCAOPSA-N 386.540 3.502 0 40 GHAB COc1ccc(CNC(=O)CCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 35673122 XLACBESFZDLUPA-UHFFFAOYSA-N 382.504 3.819 0 40 GHAB CCn1cc2c(C(F)F)cc(=O)n(CCC(=O)Nc3ccc(C)cc3C)c2n1 36621376 LXUOZCLPWZTWJI-UHFFFAOYSA-N 388.418 3.801 0 40 GHAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)[C@@H]1CC(c2cccc(F)c2)=NO1 36760349 KEWYFFHIBFFHGB-SFHVURJKSA-N 398.825 3.856 0 40 GHAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CC(=O)N(CC(F)(F)F)C1 40073818 WQUWTCLNDNIBEY-ZCFIWIBFSA-N 389.588 3.996 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 40152402 LZUOIAXXLLWUEP-LIRRHRJNSA-N 376.497 3.734 0 40 GHAB COc1ccccc1CN(Cc1nc(-c2ccsc2)no1)C[C@H]1CCCO1 40153553 QGPXALWEKRBXCF-QGZVFWFLSA-N 385.489 3.988 0 40 GHAB COCCOC(=O)c1nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn2c1C 40385128 SIKYHCRXQUJLIT-UHFFFAOYSA-N 388.855 3.680 0 40 GHAB Cc1sc2ncnc(SCC(=O)N3CCO[C@@H]4CCCC[C@H]43)c2c1C 46492029 CXPWOFUBOSSNMY-ZIAGYGMSSA-N 377.535 3.570 0 40 GHAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CCN3CCSC3=O)cn2)c1 46794643 LUYSIMYKRNUNOM-UHFFFAOYSA-N 385.489 3.666 0 40 GHAB C[C@H](c1nc(-c2cccs2)no1)S(=O)(=O)CCCOc1ccc(F)cc1 48262724 AXDXMWHXLUEWJL-GFCCVEGCSA-N 396.465 3.882 0 40 GHAB CCc1nnsc1C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 48338772 KOOFYMCWQDRHNW-LBPRGKRZSA-N 375.494 3.922 0 40 GHAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(CC)c2)c1=O 51357711 DTVLGTRYSOTFPT-UHFFFAOYSA-N 393.487 3.555 0 40 GHAB O=c1c(Cl)c(NCCOc2ccc3c(c2)CCC3)cnn1-c1ccccc1 58418945 QFYQKRCMDQIBJD-UHFFFAOYSA-N 381.863 3.866 0 40 GHAB Cc1ccc(NC(=O)Cn2cc(-c3ccccc3)c(N3CCOCC3)n2)cc1C 62006859 DMKWWQMATQBBOG-UHFFFAOYSA-N 390.487 3.642 0 40 GHAB O=C(c1cc2c(F)cc(Br)cc2[nH]1)N(C[C@H]1CCOC1)C1CC1 65624158 QYHDHEIIGRHNRK-SNVBAGLBSA-N 381.245 3.711 0 40 GHAB CCOc1ccc(-n2c(=O)c3sccc3n(CCc3ccccc3)c2=O)cc1 67260237 RHWPNCMTLDKHAF-UHFFFAOYSA-N 392.480 3.855 0 40 GHAB CCOC(=O)C1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1 67284760 AVSNHJOCIBNZJJ-UHFFFAOYSA-N 384.867 3.829 0 40 GHAB O=C(NCc1ccc(F)cc1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 70637142 BODXHWLXDHHNRI-UHFFFAOYSA-N 386.814 3.838 0 40 GHAB COCc1nn2c(/C=C/N(C)C)c(C(C)=O)cnc2c1-c1cccc(Cl)c1 71286502 NZACSDUYRQSCLJ-CMDGGOBGSA-N 384.867 3.931 0 40 GHAB CC(C)c1ccc(-c2csc(NC(=O)C[C@H]3CCS(=O)(=O)C3)n2)cc1 71824340 BBEULSCXFLWMSI-CYBMUJFWSA-N 378.519 3.697 0 40 GHAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccnc1 72191574 XNDKZINXVPDGGR-UHFFFAOYSA-N 381.505 3.651 0 40 GHAB COc1cccc2[nH]c(C(=O)N3CCC(n4c(C)nc5cccnc54)CC3)cc12 72365998 KGOQXCIKEYXKEZ-UHFFFAOYSA-N 389.459 3.707 0 40 GHAB COCc1cccc(OCC2(CN3CCC(OC4CCOCC4)CC3)CC2)c1 89420356 MNQAHMJJTFXQSU-UHFFFAOYSA-N 389.536 3.652 0 40 GHAB Cc1cc(CCC(=O)N[C@H](C)[C@H](O)Cc2ccccc2)ccc1Br 89587437 NOQTWWOYIBOZEK-DNVCBOLYSA-N 390.321 3.798 0 40 GHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2cccc(OC)c2)no1 95482503 LZKRCBLPUSTMAO-SFHVURJKSA-N 395.459 3.836 0 40 GHAB COc1cc(NC(=O)Nc2ccc(N3CCC[C@@H](OC)C3)cc2)cc(OC)c1 96122505 SJSDYZRGRCRIIW-GOSISDBHSA-N 385.464 3.963 0 40 GHAB CN(Cc1ccccn1)C(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 96146330 IHVTXUKWKOKNDB-UHFFFAOYSA-N 396.454 3.579 0 40 GHAB Fc1cccc(Nc2ccc3c([C@H]4CCCN4c4ncccn4)nnn3c2)c1 96267971 CNQKFAMKZKELFD-QGZVFWFLSA-N 375.411 3.744 0 40 GHAB Cc1ccc(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1 96879014 LERNYLCUXOQKFR-LDADJPATSA-N 398.459 3.529 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C 100587138 WCSSUTKCUJMPJZ-MPBGBICISA-N 384.505 3.786 0 40 GHAB Cc1cc(Br)cc(C)c1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1[C@H]1C[C@H]21 101967515 PBSDNHFROFWOEU-JTAWPXLSSA-N 390.277 3.773 0 40 GHAB C[C@@H](NC(=O)c1coc(=O)c(Br)c1)[C@@H]1[C@H]2C[C@@H]3C[C@@H]2CC[C@@H]1C3 102760008 PGLXEDMYMQAPFM-VOZZTLDKSA-N 380.282 3.593 0 40 GHAB CC1(C)C[C@H](NC(=O)c2ccc(CN3CCCC3=O)cc2)c2ccccc2O1 121527796 HQHGNHFCGURLAV-IBGZPJMESA-N 378.472 3.841 0 40 GHAB Cc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)cc1S(=O)(=O)N1CCCCCC1 195530881 SECMOGOIAKHRPE-SCTDSRPQSA-N 388.533 3.710 0 40 GHAB CCc1nc(S/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)C(=O)O)n[nH]1 213390811 FAPBARQAKVZBFE-GDNBJRDFSA-N 399.428 3.632 0 40 GHAB CCOc1cc(CO)cc(I)c1OCc1ccccc1 216826345 UDUJWXHECQVGRL-UHFFFAOYSA-N 384.213 3.761 0 40 GHAB COC(=O)c1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1C 218823545 MLRDYIXUPDDLHE-UHFFFAOYSA-N 392.249 3.870 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 223020003 IMBCFZZXAJDGTJ-UXHICEINSA-N 396.491 3.630 0 40 GHAB COc1cc(OC)cc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224255336 VEWRVGIEUWXTLU-UHFFFAOYSA-N 387.476 3.575 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 224303586 ZWHIAPNKINWUDN-IEBWSBKVSA-N 382.570 3.872 0 40 GHAB O=C(O)C[C@H](NC(=S)Nc1ccc2sncc2c1)c1ccc(F)cc1 225214766 ZCDGERAPSUGOTO-AWEZNQCLSA-N 375.450 3.938 0 40 GHAB COc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)c(OC)c1 225456584 LXMZHVJUXMEMBU-UHFFFAOYSA-N 382.489 3.685 0 40 GHAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225642511 ACJBMDCKZLWRIR-MRXNPFEDSA-N 383.517 3.876 0 40 GHAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225787382 VSVGMBJSQSTQHW-OAHLLOKOSA-N 399.516 3.576 0 40 GHAB Cc1cccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 244061849 TZERZFQEDOORMS-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257201255 AGWZDROGGAHIIM-MRXNPFEDSA-N 395.434 3.828 0 40 GHAB Cc1nn(C(C)C)c(C)c1CN1[C@H]2CC[C@H]1c1cnc(N3CCCC3)nc1C2 257290829 QEMNTEWXELSSSS-UWJYYQICSA-N 380.540 3.733 0 40 GHAB Cc1nnc([C@]2(C)CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)o1 257298733 RNBQORJXQCTQMO-OAQYLSRUSA-N 381.432 3.890 0 40 GHAB CCCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)c2ccccc2F)c1 408554092 BOKNBDZYHQBWEJ-UHFFFAOYSA-N 394.468 3.555 0 40 GHAB COc1cccc(NC(=O)Nc2ccc3nc(N4C(=O)CCC4=O)sc3c2)c1 409127851 RTPIOPHFPVYCPG-UHFFFAOYSA-N 396.428 3.602 0 40 GHAB COc1cc(Cl)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 409228711 CYADFPVLVXIPIH-NTUHNPAUSA-N 379.199 3.805 0 40 GHAB CCc1cccc2c(CCNC(=O)[C@@H](NC(=O)c3cccs3)C(C)C)c[nH]c12 521134108 ORCDQCJIPOCXSO-IBGZPJMESA-N 397.544 3.905 0 40 GHAB Cc1ccc(-n2[nH]c(C(=O)N[C@@H](c3ccccc3)C(F)(F)F)cc2=O)cc1 530569160 TXRFANKYHBBSDV-KRWDZBQOSA-N 375.350 3.507 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC[C@H](Oc2ccncn2)C1 575607246 AXNVPBHIHHIDNT-FQEVSTJZSA-N 388.471 3.819 0 40 GHAB O=C(c1ccc(F)cc1F)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1565523062 YHTXCEPGSWEZLH-UHFFFAOYSA-N 387.430 3.565 0 40 GHAB O=C([C@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1)N1CCSCC1 2086861081 FMZXVDKCOOUWQT-NSHDSACASA-N 393.862 3.546 0 40 GHAB COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)Nc1cccc(Cl)c1 1084514 OBRPBBCMZAHJIX-UHFFFAOYSA-N 394.811 3.796 0 40 GHAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cc(OC)ccc1OC 2366424 HZNJMBPNMDULHZ-DCFHFQCYSA-N 393.420 3.791 0 40 GHAB Cc1cccc(C)c1NC(=O)COC(=O)/C=C/c1ccc(Br)o1 3232862 XHWUVNMLFXRMPM-VQHVLOKHSA-N 378.222 3.854 0 40 GHAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N3CCCC[C@@H]3C)cc12 3315298 XFCGYVBYKYUDNK-AWEZNQCLSA-N 397.500 3.953 0 40 GHAB C[C@@H](OC(=O)c1ccc2ccccc2c1O)C(=O)Nc1ccc2c(c1)OCCO2 3438931 XNDIJKWSMPJSGF-CYBMUJFWSA-N 393.395 3.501 0 40 GHAB CC(C)C[C@H](NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1)C(=O)O 4085141 SUVODTLFEXLARO-SFHVURJKSA-N 379.412 3.689 0 40 GHAB biogenic COc1ccc(NC(=O)CSc2ccc(-c3cccs3)nn2)c(OC)c1 4357776 VGLCKYWBROIYPU-UHFFFAOYSA-N 387.486 3.953 0 40 GHAB COC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 5280025 VYFCMYGXVTVDIB-LLVKDONJSA-N 375.400 3.866 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 6886445 LUCKDHCTEUJDON-UHFFFAOYSA-N 392.411 3.944 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 6946267 AWXUSIFYOFYJEA-SFHVURJKSA-N 388.533 3.804 0 40 GHAB Cc1cccc2nc(CSc3nnc(C4CC4)n3-c3ccccc3)cc(=O)n12 6985293 VYGQPDHRTVRGRV-UHFFFAOYSA-N 389.484 3.753 0 40 GHAB CCOC(=O)[C@H]1CCCN(Cn2nc(-c3ccccc3Cl)oc2=S)C1 6999157 KTHIIVBQSVBPHC-LBPRGKRZSA-N 381.885 3.759 0 40 GHAB O=C(NCc1cn2ccccc2n1)c1ccc(NC(=O)c2cccs2)cc1 7136703 VTRNBHBNNDLMJB-UHFFFAOYSA-N 376.441 3.578 0 40 GHAB Cc1nnc(SCC(=O)c2ccc3c(c2)OCCCO3)n1-c1ccccc1 7229756 QWPJSAJLKHEBKK-UHFFFAOYSA-N 381.457 3.712 0 40 GHAB CC(C)CCNc1nc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)cs1 7503755 CYOZDERJXIVOHY-KRWDZBQOSA-N 387.505 3.778 0 40 GHAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1csc(-c2cccs2)n1 8328784 VDDFTFUGEYNDCV-IBGZPJMESA-N 397.481 3.601 0 40 GHAB Cc1cc2nc(C)c(CCC(=O)OCCOc3ccc(Cl)cc3)c(C)n2n1 8394948 WOHGHBQEDJIFRC-UHFFFAOYSA-N 387.867 3.863 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)cc1 8414102 XODBIVDGWIHCLN-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2sccc2C)cc1 8609834 WSOMFEKAEJIDQD-INIZCTEOSA-N 381.461 3.584 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(C(=O)NC2CC2)c1 8751682 UFRAVBZCFFYOJC-UHFFFAOYSA-N 394.862 3.979 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(CSc2nc3ncc(Cl)cc3[nH]2)n1 9125865 MQMDTNCIGBKFLC-UHFFFAOYSA-N 398.883 3.723 0 40 GHAB Cc1ccc(N2C[C@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)cc1C 9320922 GOLZTCUMIKMPAW-OAHLLOKOSA-N 377.400 3.603 0 40 GHAB COc1ccc(C(=O)C2CCN(C(=O)Cc3ccc(OC)c(F)c3)CC2)cc1 9984715 OVECQOIPBDDRPO-UHFFFAOYSA-N 385.435 3.507 0 40 GHAB O=C(C1CC1)N1CCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21 11906540 IIVWEVANLOGJGE-UHFFFAOYSA-N 390.892 3.581 0 40 GHAB COc1ccc(OC)c(-c2cc(C(=O)N3CCn4cccc4[C@H]3C(C)C)[nH]n2)c1 12116942 YYOJZWHDWUCOCK-OAQYLSRUSA-N 394.475 3.749 0 40 GHAB O=C(c1cccs1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 12155853 CEUGDFDQTYVBFY-UHFFFAOYSA-N 379.485 3.524 0 40 GHAB Cc1cc(C)n(-c2cccc(CN(Cc3ccc4c(c3)OCO4)C[C@H](C)O)c2)n1 12185713 MRBNOKQYRMLVCE-SFHVURJKSA-N 393.487 3.601 0 40 GHAB COc1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1nn(C)c2ncccc12 12236077 TUUSJWQPDWTYCQ-IBGZPJMESA-N 386.455 3.691 0 40 GHAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)c1ccco1 12337270 YYELJYIGBRCKOD-GFCCVEGCSA-N 378.350 3.740 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)c2csc(-c3ccc(F)cc3)n2)cc1 12775256 DWIAHYARXQPDRL-UHFFFAOYSA-N 383.448 3.968 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1Br 12902753 WNYHEXBFCRNLCO-UHFFFAOYSA-N 389.249 3.837 0 40 GHAB Cc1ccc(-c2csc(NC(=O)Cn3cnc4ccc(F)cc4c3=O)n2)cc1 12980625 JSHAPHPRSOXGSC-UHFFFAOYSA-N 394.431 3.606 0 40 GHAB CCC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(C(C)C)c1ccccc12 13635228 FFEUMMRKXNFAKI-DEOSSOPVSA-N 387.483 3.961 0 40 GHAB CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1CCCCC1 14140721 YELFTKYQPVZDBF-UHFFFAOYSA-N 398.956 3.919 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CNc3cccc(C(F)(F)F)c3)ccc21 15289807 XMGYCHCZFFBMMJ-UHFFFAOYSA-N 377.366 3.665 0 40 GHAB O=C(COC(=O)c1cccnc1N1CCCC1)Nc1cccc2ccccc12 16289758 HTHLBXJSYRHTOO-UHFFFAOYSA-N 375.428 3.631 0 40 GHAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc2c(c1)ncn2CCc1ccccc1 17750668 GXJOIZLVNFTKSN-YVCBRDFCSA-N 383.451 3.591 0 40 GHAB CC(C)c1ncc(CN(C)C2CCC3(CC2)CNCc2ccccc2O3)cn1 19453914 LHKUYGQGJVEFSI-UHFFFAOYSA-N 380.536 3.895 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)Cc3ccccn3)[C@@H]3CCCC[C@H]32)cc1OC 19561394 CYQIFSWKDVVAAM-GIHONLOASA-N 380.488 3.730 0 40 GHAB COc1cccc([C@H]2CN(C(=O)CCCc3ccc(F)cc3)[C@@H]3CCCN[C@H]23)c1 19566395 XCLPCXQWFDPIAW-CQOQZXRMSA-N 396.506 3.904 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCC(O)(Cn2ccnc2C(C)C)CC1 19581621 QLPFWEVXUGEJJI-UHFFFAOYSA-N 394.519 3.506 0 40 GHAB CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CCc1ccncc1 19589140 HBVOEVZSMFCQNZ-CQOQZXRMSA-N 377.532 3.883 0 40 GHAB CCN(CC)C(=O)c1cc(NC(=O)c2ccc(C(C)=O)cc2)c(OC)c(OC)c1 19626930 LCNMMRHTBXDGEV-UHFFFAOYSA-N 398.459 3.641 0 40 GHAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)[C@H](c1ccccc1)N1CCCC1 19659654 PPSOBANYCIBJEO-NRFANRHFSA-N 378.451 3.846 0 40 GHAB COc1cccc(-c2cc(C(=O)Nc3nc(-c4cn(C)nc4C)cs3)on2)c1 19718583 MKPPXMNRSLNIGG-UHFFFAOYSA-N 395.444 3.768 0 40 GHAB CN1CCc2c(sc3ncn4nc(-c5ccc6ccccc6c5O)nc4c23)C1 20023730 ZGCUMJIRWSLVKE-UHFFFAOYSA-N 387.468 3.853 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3nnc(C4CCCCC4)s3)CC2=O)cc1 20367546 JOTGEUOFNMSJQL-OAHLLOKOSA-N 384.505 3.886 0 40 GHAB O=C(O)[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc12)N1CCSCC1 20726861 SEKMWZMPAMZBNQ-FQEVSTJZSA-N 382.485 3.921 0 40 GHAB O=C(Nc1ccncc1)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 22483492 DHTLAMHDYYABTP-INIZCTEOSA-N 377.423 3.533 0 40 GHAB COc1ccc(CNC(=O)CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 23075421 RNDMNOPLOFQONH-UHFFFAOYSA-N 392.421 3.995 0 40 GHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(OC[C@H]2CCCO2)cc1 23737424 KXHYPJXMNFZUSW-PKTZIBPZSA-N 394.515 3.811 0 40 GHAB CCOC(=O)c1cc(Cl)c(OS(=O)(=O)c2c(C)noc2C)c(Cl)c1 25653146 AZBULLHZXAZOJG-UHFFFAOYSA-N 394.232 3.543 0 40 GHAB CN(CCC(=O)Nc1cccc2ccccc12)C[C@@H]1COc2ccccc2O1 26922348 WYOIFTLSYLNPCV-GOSISDBHSA-N 376.456 3.940 0 40 GHAB Cc1nn(Cc2cccc(C(=O)Nc3ccncc3)c2)c(C)c1Br 27970739 ALXBJGNAQVYJSV-UHFFFAOYSA-N 385.265 3.958 0 40 GHAB Cc1c(C)n(C[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c2ccc(F)cc12 28297185 XQCJBSBZLWMDLH-QFIPXVFZSA-N 395.522 3.576 0 40 GHAB CC(=O)N(c1ccccc1)c1nc(CSc2nnnn2CC(C)C)cs1 30397595 OPSCEGQDGKAXEO-UHFFFAOYSA-N 388.522 3.763 0 40 GHAB O=C1OCCN1c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 31720101 HEARMCOQEFHVLM-UHFFFAOYSA-N 387.244 3.751 0 40 GHAB CC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)NCc1cccs1 32907170 XJCSPGFQETXDTJ-UHFFFAOYSA-N 387.486 3.718 0 40 GHAB COc1ccc(OC)c(NC(=O)CSCc2cc(=O)c3cc(C)ccc3[nH]2)c1 33064021 UMJWIKOJTGMJAW-UHFFFAOYSA-N 398.484 3.726 0 40 GHAB COCCOc1cc(-c2noc([C@@H]3CCCN3CC3CCCCC3)n2)ccn1 35424768 QKFQCEOSDIEQGK-SFHVURJKSA-N 386.496 3.874 0 40 GHAB biogenic,in-vitro Fc1cc(Cl)ccc1-c1nnc2sc(-c3n[nH]cc3Br)nn12 36366762 QLIHLUZXEBYQHJ-UHFFFAOYSA-N 399.636 3.798 0 40 GHAB CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 36430657 XWIIZZNJNMVLTP-WIYYLYMNSA-N 394.515 3.556 0 40 GHAB CCSc1ccccc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 38677515 DMQSSGORUGLHRW-UHFFFAOYSA-N 376.503 3.591 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1nc(C)c(C)s1 40082140 UAKGPQSYHQEDSN-CQSZACIVSA-N 393.896 3.665 0 40 GHAB O=C(CSc1ccc(O)cc1)NC1(c2ccc3c(c2)OCCO3)CCCC1 47895412 WVERUQHCSXTOLQ-UHFFFAOYSA-N 385.485 3.841 0 40 GHAB O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)Nc1cc(Cl)cc(Cl)c1 54253733 NUJYBFSNXWBDDZ-KRWDZBQOSA-N 393.270 3.750 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC1(c2noc(C)n2)CCCCC1 54531512 LDHWZKQXRFBWEL-IBGZPJMESA-N 394.475 3.618 0 40 GHAB CCOC(=O)[C@@H](C)N1N=C(c2ccccc2)Cn2c(cc3sccc32)C1=O 57720460 GIASIKCBCBWZQR-CYBMUJFWSA-N 381.457 3.515 0 40 GHAB C[C@H](Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)N1CCOCC1 57722632 UCQOKULRSIVRMM-AWEZNQCLSA-N 392.858 3.717 0 40 GHAB C[C@H](NC(=O)c1cccs1)C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 58224995 XTFJHHKKQQIDFD-KXBFYZLASA-N 379.485 3.509 0 40 GHAB CN(CC(=O)NC1CCCCCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 58380604 UVRJFDMTCXVROZ-HKUYNNGSSA-N 385.335 3.722 0 40 GHAB C[C@H](C(=O)NCc1ccc(Cl)cc1)n1c(S)nnc1-c1cccs1 65521907 XHUAQSYPCOSIHT-SNVBAGLBSA-N 378.910 3.826 0 40 GHAB NC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc3ccccc3n2)C1 72361007 OVHIICIHPITGSA-OAHLLOKOSA-N 388.496 3.933 0 40 GHAB Cc1ccnn1CCC(=O)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 72362547 QVGLPCYWXCMDAR-SFHVURJKSA-N 391.475 3.570 0 40 GHAB O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)Nc1ccccc1F 77100046 WGUMTUSSQATLRV-UHFFFAOYSA-N 392.438 3.586 0 40 GHAB CCC(=O)N[C@@H]1CCc2ccc(OC)cc2[C@H]1OC(=O)[C@@H](OC)c1ccccc1 77302250 UDKLJDIBERKFNQ-BAGYTPMASA-N 397.471 3.508 0 40 GHAB in-vitro CCN(C(=O)Cn1c([C@@H]2CCCN2C(C)=O)nc2ccccc21)c1ccccc1 82086747 XJXUEVMGOYNEQM-NRFANRHFSA-N 390.487 3.773 0 40 GHAB CCc1nnc([C@H](C)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1 95956607 CIQHUBGCCZXGRB-JTQLQIEISA-N 389.809 3.582 0 40 GHAB CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)CCc2cc(C)cc(C)c2)C1 95998661 USGVHCYLGFDKQO-GOSISDBHSA-N 397.523 3.507 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 100750306 UECIXXDNSDRXRE-LLGFUMIMSA-N 383.467 3.634 0 40 GHAB CC(C)COC(=O)N[C@@H](C)C(=O)Nc1ccc(Cl)c(Br)c1 107632381 VIIYQBALDDGBOV-VIFPVBQESA-N 377.666 3.812 0 40 GHAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccccc2SC)S(C)(=O)=O)cc1 220276976 PDYAXBVXZODAFF-AWEZNQCLSA-N 392.546 3.764 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1SC)N(c1cccc(C)c1)S(C)(=O)=O 220509813 KCUMSKNXLLIOTL-KRWDZBQOSA-N 392.546 3.900 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(F)cc1 222480307 ULHOBPMBPQVXEQ-MRXNPFEDSA-N 388.508 3.531 0 40 GHAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)o1 222761320 BEPSRPRHGKDBDN-RBUKOAKNSA-N 393.468 3.951 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1 222898622 PEWYQORHTKJZDZ-QFIPXVFZSA-N 396.531 3.878 0 40 GHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 223047286 YTOMGDMPSUOOSR-PMACEKPBSA-N 396.516 3.533 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223888025 DIUXZAUOQUGACY-QFBILLFUSA-N 389.517 3.742 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 223994650 RHQWOWSNRODWMD-WOJBJXKFSA-N 391.500 3.556 0 40 GHAB O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1 225146356 ZKKWENPPIGGLNE-SFHVURJKSA-N 379.287 3.811 0 40 GHAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)COc1ccc(C)cc1)CCCC2 225202329 XQXHQWHWQKOKCD-INIZCTEOSA-N 389.517 3.628 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 225214182 YNVFSVSYZWTTIX-GOSISDBHSA-N 384.545 3.700 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 225449406 UJHCXTVNQWKPLJ-WOJBJXKFSA-N 380.532 3.912 0 40 GHAB CCSc1ccccc1C(=O)N1CC(n2cc(COc3ccccc3)nn2)C1 225626290 JJGDIBDJRKHVQY-UHFFFAOYSA-N 394.500 3.666 0 40 GHAB CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225702839 MADOYPPWTWGXSB-UHFFFAOYSA-N 392.502 3.843 0 40 GHAB COc1cc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc(OC)c1OC 226268561 SIQQBPDSFQKHQN-UHFFFAOYSA-N 399.491 3.783 0 40 GHAB C[C@@H]1CCCCN1S(=O)(=O)N1CCCC[C@H]1c1nc2ccccc2s1 245225523 XIYAXQJBRLWNKT-ZBFHGGJFSA-N 379.551 3.943 0 40 GHAB CN(C(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1)C1CCCCC1 257315538 VBWMVTDZCYQMLK-VBOPQPRHSA-N 381.520 3.766 0 40 GHAB C[C@@H](C(=O)Nc1ccc2ccccc2c1)N(c1ccc(F)cc1)S(C)(=O)=O 408554308 CHCMMXCVAAAHHW-AWEZNQCLSA-N 386.448 3.772 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)c(C)c2)c1 409121913 ZCTKFXUVBTZXIE-UHFFFAOYSA-N 382.489 3.932 0 40 GHAB CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)C1=O 409232501 ITGCCAMBHMBCMX-LDADJPATSA-N 380.444 3.885 0 40 GHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@@H](Oc2ccncn2)C1 575611009 RIEMQTHJPRJWLW-QGZVFWFLSA-N 386.411 3.578 0 40 GHAB O=C1CC[C@H](NCc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C2(CCC2)N1 585080397 GKUYQTQWQYZHGT-IBGZPJMESA-N 397.906 3.883 0 40 GHAB Cc1csc(N2CCC(C(=O)N(CCN3CCCCCC3)C(C)C)CC2)n1 585082919 SEVJGACXUHFWMO-UHFFFAOYSA-N 392.613 3.781 0 40 GHAB C[C@@]1(O)CCN(CC2CC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 604383324 WJFYZNUWMFRXIN-QNWVGRARSA-N 382.479 3.532 0 40 GHAB biogenic,in-vitro Cc1cc(NC(=O)N2CC3(CC(=O)N(Cc4ccccc4)O3)C2)ccc1Cl 1549163154 ZOELUTOWDYZCJU-UHFFFAOYSA-N 385.851 3.599 0 40 GHAB CCn1nccc1[C@H]1OCCC[C@@H]1CN1CCC(c2ncc(Cl)cn2)CC1 1615997237 OUDJBSPABDHLFV-APWZRJJASA-N 389.931 3.694 0 40 GHAB CN1C(=O)COc2ccccc2CCCC[C@H]2CN(Cc3nccs3)CC[C@H]21 2037988901 NAQLPZUQSWMZHV-RBUKOAKNSA-N 399.560 3.597 0 40 GHAB CCCCOc1ccc(NC(=O)Cn2c(=O)ccc3c(C)cc(C)nc32)cc1 4093544 WCTCSTCZKIUUEC-UHFFFAOYSA-N 379.460 3.831 0 40 GHAB Cc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(C)cc2)cc1 4166600 PJXZPOQNLWIILS-UHFFFAOYSA-N 390.472 3.558 0 40 GHAB Cc1ccc2nc(Cl)c([C@H]3CC(c4ccco4)=NN3S(C)(=O)=O)cc2c1 4280297 XXBBOSNKUBHNKP-MRXNPFEDSA-N 389.864 3.900 0 40 GHAB COc1ccc2nc(N(CCN(C)C)C(=O)/C=C/c3cccs3)sc2c1 4359135 DPPAXYJRNVWPJE-VQHVLOKHSA-N 387.530 3.974 0 40 GHAB Cc1cc(C)cc(N2C(=O)c3ccc(C(=O)OCC(=O)C(C)(C)C)cc3C2=O)c1 4553892 FGVRDTGVQGTCPH-UHFFFAOYSA-N 393.439 3.876 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc2c(c1)NC(=O)CS2 4581712 NWBZEDVLHXCBKC-GFCCVEGCSA-N 394.452 3.949 0 40 GHAB COc1ccc(-c2noc(CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1OC 4998162 MLEDCUPLDAKNLG-UHFFFAOYSA-N 395.459 3.981 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc(-n3cccc3)c2)c1 5279541 RZTMDAWDXNHDKS-MRXNPFEDSA-N 376.412 3.864 0 40 GHAB Cc1ccccc1-c1nnn(CC(=O)NC(c2ccccc2)c2ccccc2)n1 5326914 KKYOXXYLDASGKE-UHFFFAOYSA-N 383.455 3.554 0 40 GHAB CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(Br)cc1C 5872437 OHZUYDKQOHVESZ-UHFFFAOYSA-N 392.249 3.986 0 40 GHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)C1 6237686 QGKCXFDPAFCKRK-GJZGRUSLSA-N 390.480 3.745 0 40 GHAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c(C)c1 6569908 TUQROJXGGXBAFI-UHFFFAOYSA-N 385.489 3.697 0 40 GHAB CCCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCc3ccccn3)c12 6660195 DJZANQZAEWQYRK-INIZCTEOSA-N 394.471 3.923 0 40 GHAB C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)NC3CCCCCC3)c2)C1 6680973 XFAVVXKJYAVKRE-AWEZNQCLSA-N 384.567 3.621 0 40 GHAB CCCOc1ccc(C(=O)O[C@@H](C)C(=O)NCC2CCCCC2)cc1OC 7262644 PPLYPAIKJSLWEC-HNNXBMFYSA-N 377.481 3.726 0 40 GHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)n2)c(OC)c1 7615842 GNNMTCGIURZRHO-OAHLLOKOSA-N 393.443 3.891 0 40 GHAB Cc1[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c2c(=O)c1Cc1ccccc1Cl 8020999 WVFBCVACEHBSRB-UHFFFAOYSA-N 383.810 3.699 0 40 GHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 8091581 XLDUGGSQVFAXDZ-XDHOZWIPSA-N 388.423 3.950 0 40 GHAB Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 8120885 VUTDZMUYJRVSPL-YWZLYKJASA-N 383.492 3.563 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1C 8231530 YWRFMLWWOVMPKN-UHFFFAOYSA-N 398.488 3.533 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 10275695 YZWBTMRVOFXLFY-AWEZNQCLSA-N 375.490 3.795 0 40 GHAB COc1cc(C(=O)N2CCN(c3nccs3)CC2)cc(Cl)c1OC(C)C 10674623 ONXMXPQVJPJBHR-UHFFFAOYSA-N 395.912 3.555 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 10780396 LOQJYOSFEFTWOO-UHFFFAOYSA-N 394.515 3.784 0 40 GHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)C1=Cc2ccccc2OC1 11484114 MKDCHNPINVSCPH-UHFFFAOYSA-N 377.362 3.858 0 40 GHAB COCCOc1cc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)ccc1OC 12222525 RGOZZDYEWGSRGH-LJQANCHMSA-N 381.476 3.934 0 40 GHAB CCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1 12553343 TWBWPUFPTQKGSN-INIZCTEOSA-N 385.489 3.730 0 40 GHAB O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1c[nH]nc1-c1ccccc1 12729394 XJUWYMFPKCLEHA-NRFANRHFSA-N 389.455 3.987 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(C(C)=O)cc2OC)cc1 12732943 UYFCKJPXIPJTLW-LJQANCHMSA-N 383.444 3.649 0 40 GHAB COc1ccc(C(=O)[C@H](C)OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 12787093 UUCNQZASXQCPJL-LBPRGKRZSA-N 380.400 3.845 0 40 GHAB O=C(Nc1ccccc1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 12882897 IQGXLXAADYEEAE-UHFFFAOYSA-N 398.509 3.747 0 40 GHAB CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1ccccc1 12899103 WZDVOYXRNXWDSE-HXUWFJFHSA-N 386.517 3.805 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 12999313 NQPDUIHJKNSQRE-UHFFFAOYSA-N 396.531 3.512 0 40 GHAB Cc1cc(C)cc(OCC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c1 13039724 MPDCRDNDBOOTTN-UHFFFAOYSA-N 387.911 3.726 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1cccc(OC)c1 13568938 CQVRHGBEIIIAMU-NSHDSACASA-N 389.506 3.549 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 14004404 SNGRWARHQBZLEH-MRXNPFEDSA-N 396.468 3.893 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C 14120659 AAYYRAFCVSEKTD-NRFANRHFSA-N 387.455 3.718 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H]3CCSc4ccc(F)cc43)ccc12 14182212 FBQCUDQWHZKINU-KRWDZBQOSA-N 399.443 3.973 0 40 GHAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)[C@@H]1CCCN1C(=O)c1ccco1 14199646 MUFMCQHCDQAZAJ-GJZGRUSLSA-N 390.892 3.891 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)OCO2 14596398 LNBOEZQMFOZCDW-UHFFFAOYSA-N 383.322 3.712 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)OCc2csc(-c3ccsc3)n2)c1 14641800 GCCITJCDIWXBFS-UHFFFAOYSA-N 394.499 3.600 0 40 GHAB CC(C)c1ccc([C@H](C)NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 15565609 QTRQLESNTQTPNS-AWEZNQCLSA-N 383.423 3.643 0 40 GHAB C[C@H]1NC(=S)N(c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1=O 15570595 PUSUPYIFUULFEP-SNVBAGLBSA-N 393.390 3.567 0 40 GHAB COc1ccc(OCCC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1 15827924 SJCGMTKKRMMYNF-FQEVSTJZSA-N 385.460 3.845 0 40 GHAB O=S(=O)(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc2c(c1)OCCO2 16097181 UZNQPDMNLNRGJA-UHFFFAOYSA-N 379.437 3.830 0 40 GHAB Cc1cccc(N2CCN(C(=O)CCC(=O)c3ccc4c(c3)CCC4)CC2)c1 16281382 JKTUHGQBYQSFLO-UHFFFAOYSA-N 376.500 3.795 0 40 GHAB COc1ccc(NC(=O)[C@H](Sc2nnnn2C(C)C)c2ccccc2)cc1 16556452 KGPPWFATTJEWHO-QGZVFWFLSA-N 383.477 3.735 0 40 GHAB Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCc3cccc(Cl)c3)cc1)CC(=O)N2 17042751 VNIJBXRPKDLQLB-QGZVFWFLSA-N 395.846 3.785 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)(C)C)C1 19081009 FFFYTUDHHYMTNQ-DEOSSOPVSA-N 378.516 3.907 0 40 GHAB Cc1cccc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c1 19234837 DTCORNLDDNQHOM-HXUWFJFHSA-N 395.890 3.683 0 40 GHAB COCc1nnc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)s1 19236725 MHCNFPNXYTVZIX-UHFFFAOYSA-N 391.456 3.855 0 40 GHAB Cc1noc(C)c1S(=O)(=O)N(C)CCCOc1ccc(C(C)(C)C)cc1 19296539 OHIHBWZLAIOLMO-UHFFFAOYSA-N 380.510 3.679 0 40 GHAB CC(=O)N1c2ccc(NC(=O)[C@@H]3CC(c4ccc(Cl)cc4)=NO3)cc2C[C@@H]1C 19497807 GPQRFUDHYMCPBD-YUNKPMOVSA-N 397.862 3.769 0 40 GHAB CCCC(=O)N1CCC[C@](Cc2ccc(-c3ccc(OC)cc3)cc2)(C(N)=O)C1 19501185 VVAUACHNRLFRKJ-XMMPIXPASA-N 394.515 3.799 0 40 GHAB COc1ccc(CCCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 19574444 DTLBJGODVQWFJO-UHFFFAOYSA-N 377.488 3.919 0 40 GHAB CCc1nc2ccccc2n1[C@H](C)C(=O)NCc1nnc(-c2ccccc2)o1 19718466 URFZCDCQJBZTHQ-CQSZACIVSA-N 375.432 3.526 0 40 GHAB Cc1cc(C)cc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 20493586 OOFZYKCEISQLAW-SFHVURJKSA-N 388.533 3.564 0 40 GHAB CC(=O)c1ccccc1OCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 21854024 KPUDSSSPGLSKSJ-UHFFFAOYSA-N 378.211 3.871 0 40 GHAB CCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2ccccc21 22234457 LFQZSHQUPXGUJY-UHFFFAOYSA-N 395.890 3.637 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1NC(C)=O 22537941 IYELDCWJLJWXLE-HNNXBMFYSA-N 390.505 3.618 0 40 GHAB COc1cccc([C@H](CNC(=O)c2cccc3cccnc23)N2CCCC2)c1 22881138 MXZUIKFUIVGLOQ-NRFANRHFSA-N 375.472 3.810 0 40 GHAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCN(Cc3cccs3)CC2)no1 22935362 UEEJUIAGBWHCBB-HXUWFJFHSA-N 396.516 3.542 0 40 GHAB O[C@H](COc1cc(Cl)ccc1Cl)CN1CCN(c2ccccc2F)CC1 23386870 TVWMYADLFULZIH-HNNXBMFYSA-N 399.293 3.694 0 40 GHAB COc1cc(C(=O)N(C)Cc2ccccc2N2CCCC2)cc(OC)c1OC 24190877 IXDJAYVWHURJIL-UHFFFAOYSA-N 384.476 3.585 0 40 GHAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)Cc1ccccc1N1CCCCC1 24750968 XLRKNYSIFYXMCG-GOSISDBHSA-N 394.519 3.846 0 40 GHAB Cc1noc(C)c1S(=O)(=O)Oc1ccc2ccccc2c1Br 25648820 PMVZYXRGCQHUDD-UHFFFAOYSA-N 382.235 3.975 0 40 GHAB Cc1nnc2n1N[C@H](c1ccc(O)cc1)[C@H](C(=O)c1ccc(Cl)cc1)S2 27525576 GYWVLUSIEKVPGP-NVXWUHKLSA-N 386.864 3.588 0 40 GHAB CCCCOc1cccc(C(=O)NCC2(N3CCN(C)CC3)CCCCC2)c1 27663363 XWBIUTJKHFMQPQ-UHFFFAOYSA-N 387.568 3.546 0 40 GHAB CC(=O)c1cccc(NC(=O)NCCCn2nc(C)c(Br)c2C)c1 27928152 QRBTYRALXNBGMB-UHFFFAOYSA-N 393.285 3.677 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccn(COc3ccc(Br)cc3)n2)C1 27972962 ONORPRSSESZULK-OKILXGFUSA-N 392.297 3.800 0 40 GHAB COc1cc(N[C@H](C)C2=N[C@@H]3SC(C)=C(C)[C@@H]3C(=O)N2)c(OC)cc1Cl 28616928 FGBBVJYNQHQRIF-TUUMUUDISA-N 395.912 3.669 0 40 GHAB Cc1cc(C)c(-c2csc(NC(=O)c3cccc(OCC(N)=O)c3)n2)cc1C 30575951 FXVDRABALVGTQH-UHFFFAOYSA-N 395.484 3.852 0 40 GHAB COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 31903831 VOAGCLVGCALNGH-ZWNOBZJWSA-N 376.316 3.623 0 40 GHAB O=C(Nc1ccc2c([C@H](C(=O)O)N3CCSCC3)c[nH]c2c1)c1ccccc1 32094561 LUFHMKXWNJWCAW-LJQANCHMSA-N 395.484 3.595 0 40 GHAB O=C1C[C@H](C(=O)Nc2cccc(F)c2)n2ncc(-c3ccc(Cl)cc3)c2N1 32102177 ZEUDTPCZUBDSOA-MRXNPFEDSA-N 384.798 3.865 0 40 GHAB Cc1ccc2nc(CSCCC(=O)N[C@@H](C)c3ccccc3)cc(=O)n2c1 32778687 TYAMOWKFEVTPTR-INIZCTEOSA-N 381.501 3.504 0 40 GHAB CCN1CCN(CCCNc2nc(-c3ccsc3)nc3ccccc23)CC1 32916252 GUXLOIGTCOMNLV-UHFFFAOYSA-N 381.549 3.798 0 40 GHAB CCCCC(=O)Nc1cc(Cl)ccc1OCc1cc(=O)n2oc(C)cc2n1 35448020 NEVLZOLJXDFLLT-UHFFFAOYSA-N 389.839 3.957 0 40 GHAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CC(=O)N(CC(F)(F)F)C1 40073819 WQUWTCLNDNIBEY-LURJTMIESA-N 389.588 3.996 0 40 GHAB CC(C)c1ccc(OCCOC[C@@H](O)CN2C(C)(C)CC(O)CC2(C)C)cc1 40373293 LJAHHMHLAXCJFC-FQEVSTJZSA-N 393.568 3.580 0 40 GHAB CC(C)c1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(F)cc3)n2)cc1 41255221 BOYUCCBDSVYGPX-UHFFFAOYSA-N 393.462 3.879 0 40 GHAB COc1ccc([C@@H]2CCCCCN2Cc2cc(=O)n3nc(C)sc3n2)cc1 43272837 CAXJZQQPGGGBPI-SFHVURJKSA-N 384.505 3.585 0 40 GHAB COCCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)cc1Cl 47708932 HVWXZZVWKAOBMU-GFCCVEGCSA-N 379.844 3.500 0 40 GHAB COc1ccc(-c2noc(-c3nnn(-c4ccc(F)c(C)c4)c3C)n2)cc1OC 49001928 PQFRUMCFFZGZSB-UHFFFAOYSA-N 395.394 3.757 0 40 GHAB O=C1COc2ccc(S(=O)(=O)Nc3cccc(Oc4ccccc4)c3)cc2N1 55404729 HKEUAVGZLGFFTE-UHFFFAOYSA-N 396.424 3.611 0 40 GHAB O=c1cc(CN2CCN(c3ccccc3)CC2)occ1OCc1ccc(F)cc1 56949955 AVBFRCFHLUMRNG-UHFFFAOYSA-N 394.446 3.680 0 40 GHAB COC(=O)CCN(Cc1ccccc1)C(=O)[C@H](C)Oc1cccc(Cl)c1 57986414 ZCQXANVSZHGPCP-HNNXBMFYSA-N 375.852 3.699 0 40 GHAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCC[C@H]1CC1CCCCC1 58266538 WMTLVULWBBHPDZ-FQEVSTJZSA-N 379.504 3.872 0 40 GHAB CCN(C(=O)Cn1c(Nc2cc(C)cc(C)c2)nc(C)cc1=O)c1ccccc1 67246339 YNLZYCTURIPDGF-UHFFFAOYSA-N 390.487 3.965 0 40 GHAB COc1ccc(-c2cc3c(=O)n(Cc4ccc(F)cc4F)ccn3n2)cc1OC 67260832 ZJMCOYYBPMXWOY-UHFFFAOYSA-N 397.381 3.507 0 40 GHAB O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)[C@H]1COc2ccccc2O1 69961456 HUGGBGGNNBGSGT-CRAIPNDOSA-N 375.371 3.622 0 40 GHAB Cc1ccc(OCCNC(=O)[C@H](c2cc(Br)cs2)N(C)C)cc1 72306998 QRDRRCALPIEOEH-INIZCTEOSA-N 397.338 3.617 0 40 GHAB CCN(Cc1nc(-c2ccc3c(c2)OCO3)no1)[C@H](COC)Cc1ccccc1 72309410 HLUVOIVJRZHQFA-SFHVURJKSA-N 395.459 3.545 0 40 GHAB O=C(COC(=O)Cc1ccccc1Cl)NCc1ccccc1Br 72331051 KRPYSNCBPGWKIP-UHFFFAOYSA-N 396.668 3.505 0 40 GHAB Cc1cc2nc([C@H]3CCCN(Cc4ccccn4)C3)cc(C(F)(F)F)n2n1 72340875 UFHIJEWXNNYJLS-AWEZNQCLSA-N 375.398 3.831 0 40 GHAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN2C(=O)Cc2ccccc2)n1 72354684 BYSOOLVQJHSHGD-LJQANCHMSA-N 376.435 3.771 0 40 GHAB C[C@H](c1cccnc1)N1CCN(C(=O)c2ccc(F)cc2Br)CC1 79353566 JBRFCDHMBBEXQX-CYBMUJFWSA-N 392.272 3.502 0 40 GHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](C1CCCCC1)SCC(O)=N2 79488161 NFGTZAPBENLOEK-CZUORRHYSA-N 383.539 3.507 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1ccc(SC)cc1 79492126 QTKKJRGAOINECQ-QGZVFWFLSA-N 391.518 3.901 0 40 GHAB O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCC[C@@H]1c1ccc[nH]1 84338984 DVJZOLWRUJITSO-ZBFHGGJFSA-N 375.881 3.835 0 40 GHAB CC1(C)[C@@H](OC(=O)c2cccc(-n3cncn3)c2)C[C@H]1OCc1ccccc1 95467935 STRBKUHSXHMELU-UXHICEINSA-N 377.444 3.808 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211680 IQYZWBNQVMCMGQ-UHFFFAOYSA-N 380.879 3.621 0 40 GHAB COc1ccc(-c2cc(N3CCC(NC(=O)c4cccc(C)c4)CC3)[nH]n2)cc1 98212765 SDFMBUIDSXRFDF-UHFFFAOYSA-N 390.487 3.793 0 40 GHAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)C[C@H]3CC=CCC3)CC2)nn1C 100687632 GNNXCBYQKMCCHR-PCCBWWKXSA-N 386.584 3.960 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)N1C[C@H]2CCC[C@H](C1)C2N1CCCCC1 100769064 XLUMFTPZQXWGSY-IAGOWNOFSA-N 396.984 3.756 0 40 GHAB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1ccc(Cl)cc1 102083251 GVWVUCPUDOZTCE-KODHJQJWSA-N 393.826 3.871 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1Oc1ccccc1 102817391 ODIZCIQYBMMOCI-ROUUACIJSA-N 390.439 3.759 0 40 GHAB O=S1(=O)C[C@H]2[C@H](C1)[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 104280884 PCFRRWOHRVAVDS-ZJZGAYNASA-N 388.488 3.878 0 40 GHAB COc1cccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 219306633 OGXUOJDEILRRJL-IFXJQAMLSA-N 385.460 3.890 0 40 GHAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 219520720 AEJUKWYDQLAGJT-JXFKEZNVSA-N 389.517 3.742 0 40 GHAB CC[C@H](C(=O)NCc1ccccc1Cl)N(c1cccc(C)c1)S(C)(=O)=O 220508591 QGCKKAOGGYXWPA-GOSISDBHSA-N 394.924 3.509 0 40 GHAB Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 223753653 LOWOEARVAKJKGK-IBGZPJMESA-N 394.515 3.850 0 40 GHAB CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1Cl 224024142 CAKIZOQDOMLFLF-UHFFFAOYSA-N 396.896 3.679 0 40 GHAB Cc1ccccc1CN(C(=O)COc1ccccc1)[C@H](C)C(=O)NCC(C)C 224111278 CSFQSKNCOUVXGJ-LJQANCHMSA-N 382.504 3.563 0 40 GHAB CCc1ccc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1 224258767 WFZAHXAKNJVGNE-UHFFFAOYSA-N 387.487 3.618 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 224731886 MFDVIJVWYQHWMC-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1NC(C)=O 225375790 CQVQBFPYZDCZJC-UHFFFAOYSA-N 394.518 3.955 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1 225379943 FLFUHFFFGVUCEP-HNNXBMFYSA-N 390.936 3.737 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 225409785 SCDMSRFSKCJEAT-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB CCOc1cc(CNC(=S)Nc2ccc(OC)c(OC)c2)ccc1OC 225770215 CGQKYDUWHGNIBD-UHFFFAOYSA-N 376.478 3.598 0 40 GHAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NC[C@@H]1CCCO1 225831084 JRKNCAFLXVNWOG-IBGZPJMESA-N 377.444 3.631 0 40 GHAB COc1ccc(CNC(=S)Nc2nc(C)cc(N3CCCCCC3)n2)cc1 225932317 BRILQMSZUIJSNE-UHFFFAOYSA-N 385.537 3.661 0 40 GHAB COc1cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc(OC)c1OC 226268532 XUWGDILALPNGCL-AWEZNQCLSA-N 399.491 3.926 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC[C@@H](O)CN1CCN(c3ccccc3F)CC1)C2 230118950 VVIPELLXSTTWQD-KQKOIIKASA-N 390.543 3.540 0 40 GHAB O=C(c1cncnc1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257237379 HGFPJUCCVVOETQ-PKOBYXMFSA-N 399.878 3.665 0 40 GHAB C[C@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccccn2)CC1 257327697 XCHJHTDYPXUMNH-XLAORIBOSA-N 393.535 3.651 0 40 GHAB CC(C)n1ncc2c1-c1ccccc1OC21CCN(Cc2cnn(C)c2)CC1 306126306 DSCJIAHDOGGAPE-UHFFFAOYSA-N 377.492 3.748 0 40 GHAB CC(C)c1ccc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1 408615507 BDMWZYWTBFSSKU-UHFFFAOYSA-N 380.554 3.805 0 40 GHAB CCc1ccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 408627947 OPDAPNFTDMAIKY-UHFFFAOYSA-N 386.370 3.941 0 40 GHAB CC(C)C(NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)C(C)C 409029314 YXLVGEXHBZHSPN-UHFFFAOYSA-N 395.352 3.556 0 40 GHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCC[C@]3(O)C[C@H]4CC[C@H]3C4)c12 552234953 CSYXNKHEJFCATK-YGJVYZRNSA-N 391.471 3.869 0 40 GHAB Cc1cc(C)n([C@@H](CNC(=O)c2ccc3nsnc3c2)c2cccs2)n1 575610159 LEFUBWZCJRLBQQ-INIZCTEOSA-N 383.502 3.586 0 40 GHAB CCN(Cc1ccccc1)C(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 585173559 ZKDUDWIFMHJAKY-UHFFFAOYSA-N 381.863 3.612 0 40 GHAB CSCc1noc(CCC(=O)Nc2c(-c3ccccc3)nc3n2CCCC3)n1 600277751 DCUPRIYHPDVOLJ-UHFFFAOYSA-N 397.504 3.704 0 40 GHAB CCC(CC)(NC(=O)[C@H]1CC[C@@H](C(=O)O)NC1)c1ccc(Cl)c(Cl)c1 630683226 HLTOWJPRIISYNG-NHYWBVRUSA-N 387.307 3.578 0 40 GHAB O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)[C@@H]1CC[C@@H](C2CC2)N1 653086176 JDRFDGKWOXLSCA-STQMWFEESA-N 379.432 3.881 0 40 GHAB C[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2)n1)n1ccc(C(F)(F)F)n1 1611435429 MCMOMZOUDLPPDI-SNVBAGLBSA-N 383.761 3.941 0 40 GHAB COc1cc(CCO)ccc1NC(=O)c1ccc(Oc2ccccc2C)cn1 1634388397 IWWHKTWFJSXANJ-UHFFFAOYSA-N 378.428 3.978 0 40 GHAB O=C(c1ccc(F)cc1F)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912185 GKKJJJUVRMTULO-FQEVSTJZSA-N 379.378 3.540 0 40 GHAB COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CCCCC4)cc1 657744 IOZAGTAGODYANE-UHFFFAOYSA-N 380.473 3.681 0 40 GHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccccc1C 812092 HRPKYVSMMTZMJI-UHFFFAOYSA-N 380.400 3.866 0 40 GHAB O=C(Cn1c(C[S@](=O)c2ccccc2)nc2ccccc21)Nc1ccccc1 1400787 JYYICIPPQMLTSN-MUUNZHRXSA-N 389.480 3.983 0 40 GHAB Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1-c1ccccc1 2291547 YXCUKYPNPBIFEJ-UHFFFAOYSA-N 383.411 3.679 0 40 GHAB CCCCOc1ccc(C(=O)N/C(=C/c2ccc(OC(C)C)cc2)C(N)=O)cc1 2296133 ITBJIFZRFRDFLZ-RCCKNPSSSA-N 396.487 3.909 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(C[C@@H]1CCCO1)C3=O 2402697 UDEGRIFFFUISSP-OXJNMPFZSA-N 375.424 3.826 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)c1C 2641044 HPDJEUXOHNYZAP-UHFFFAOYSA-N 382.416 3.638 0 40 GHAB CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 3169605 ZHYUCJZMMUKWRH-UHFFFAOYSA-N 392.546 3.658 0 40 GHAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(OCC)c3)cc2)CC1 4109515 PZNSIQPITVLRDS-UHFFFAOYSA-N 395.503 3.786 0 40 GHAB COc1ccc(-c2csc(NC(=O)[C@H]3COc4ccccc4O3)n2)cc1OC 4224256 SQDOIOFHYQZUBB-GOSISDBHSA-N 398.440 3.606 0 40 GHAB Fc1ccccc1-c1nnc(SC[C@H]2CCOCO2)n1Cc1ccccc1 4244417 SBRXGNSFLSDUJO-MRXNPFEDSA-N 385.464 3.988 0 40 GHAB Cc1ccc(N2C(=O)C[C@H](N(C(=O)c3ccco3)c3ccc(C)cc3)C2=O)cc1 4387935 AEUKKKZPHLPQCY-IBGZPJMESA-N 388.423 3.875 0 40 GHAB CCOc1ccccc1CNc1ncc(-c2ccc3c(c2)OCO3)n1CCOC 4679088 KHHILZWWWGIZOT-UHFFFAOYSA-N 395.459 3.936 0 40 GHAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccccc2F)C1=O 5307077 WVXHIFQUUOGORW-OAQYLSRUSA-N 386.398 3.785 0 40 GHAB COc1cc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)cc(Cl)c1OC(C)C 5489233 NGKQATDJJZMMDR-CJNGLKHVSA-N 397.899 3.988 0 40 GHAB COc1ccc(C2=Nc3ccc(F)cc3C(c3cccnc3)=NN2)cc1OC 5703412 CSSNBDVIFWEVBW-UHFFFAOYSA-N 376.391 3.672 0 40 GHAB Cc1noc(C)c1COc1ccc(CC(=O)N2CCc3ccccc3C2)cc1 5937243 BMBJMUCCCARHGY-UHFFFAOYSA-N 376.456 3.998 0 40 GHAB CSc1ccc(Cl)c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 6557895 QCUWUCSGAYOLOF-UHFFFAOYSA-N 388.798 3.848 0 40 GHAB CNC(=O)c1ccc(CN(C)C(=O)COc2ccccc2-c2ccccc2)cc1 7846117 LDJITKVJBBVEQB-UHFFFAOYSA-N 388.467 3.751 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCOc1ccc(C)cc1 7988270 KYRXPFKCWCEWNB-UHFFFAOYSA-N 399.878 3.703 0 40 GHAB Cc1cccc(C)c1NC(=O)COC(=O)CCCC(=O)Nc1ccc(F)cc1 8417056 MWFSDUMRRCVTGL-UHFFFAOYSA-N 386.423 3.733 0 40 GHAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)c1 8433715 UKVWRBRAWKLWLV-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB COCCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 8477046 ZQSNAUAYLLWQHW-UHFFFAOYSA-N 391.258 3.617 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)c1cncn1-c1ccc(F)cc1 8707928 FNRIMZIYNZDBHN-UHFFFAOYSA-N 378.451 3.537 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C(C)C)cc1 9336480 KOZBTRPLSBBAMU-HXUWFJFHSA-N 386.517 3.910 0 40 GHAB COc1ccc(-c2noc(-c3cc(-c4ccc(OC)cc4OC)[nH]n3)n2)cc1 10273136 LWZIAKJJVYXEIL-UHFFFAOYSA-N 378.388 3.820 0 40 GHAB O=C(NC[C@H](c1cccc2ccccc12)N1CCCC1)C(=O)NC1CCCCC1 10333936 WYAPHDNWCFZHOO-JOCHJYFZSA-N 393.531 3.542 0 40 GHAB CC(C)[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1cccs1 10928108 DUBKTOZXPOYONC-MRXNPFEDSA-N 375.885 3.569 0 40 GHAB Cc1ccc2nc(COc3ccc(C(=O)Nn4cnc5ccccc54)cc3)cn2c1 11715023 XNRIKIIMZHEAPT-UHFFFAOYSA-N 397.438 3.955 0 40 GHAB CCCOc1ccc(-c2nonc2NC(=O)COc2ccccc2OC)cc1 12062736 JSYVZYIEFIWFLY-UHFFFAOYSA-N 383.404 3.552 0 40 GHAB COc1cc(CN2Cc3ccccc3OC3(CCOCC3)C2)cc(OC)c1OC 12122135 UGBIDSCULLBDAS-UHFFFAOYSA-N 399.487 3.656 0 40 GHAB Cc1c(C(=O)OCc2ccccc2F)nnn1-c1ccc(Br)cc1 12415556 FJNVLSGKMYNHHY-UHFFFAOYSA-N 390.212 3.834 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CSCc3ccccc3)CC2)c(F)c1 12545571 KUIHDQUSAIDJNS-UHFFFAOYSA-N 386.492 3.610 0 40 GHAB CCOc1ccc(NC(=O)COc2ccccc2C(=O)N2CCCCC2)cc1 12697117 FBFBIPCYKPAZKO-UHFFFAOYSA-N 382.460 3.729 0 40 GHAB CCCc1noc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)n1 12733619 HIPMXQDKHUYWCT-UHFFFAOYSA-N 382.449 3.609 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1 12769542 VHOJXCINZZIBBA-GASCZTMLSA-N 390.480 3.745 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(F)cc1F 12821447 VYKYKYDISPXDPR-UHFFFAOYSA-N 385.370 3.806 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cc1OC 12861312 ATTUHRVIWHUCAR-OAHLLOKOSA-N 381.881 3.883 0 40 GHAB COc1cc(/C=C/C(=O)O[C@H]2CCCC2=O)ccc1OCc1c(C)noc1C 13135354 NMNSOYUTJXOUFW-LNENJAERSA-N 385.416 3.557 0 40 GHAB Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN5CCC[C@@H]5C4)cc3)cc2c1 13565083 SHVCWQOOFXZCAR-JOCHJYFZSA-N 388.515 3.733 0 40 GHAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1Cl 13583058 XAWUOMHSRYYUDK-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1ccccc1Cl 13693273 YMWMGMQRKFHOAS-UHFFFAOYSA-N 397.862 3.794 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccnc3)c2)cc1 15436305 LHUJKSXJDASSFW-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)c(Nc3ccccc3)oc2n(C)c1=O 15885265 UMHCXXFPNRYIEN-UHFFFAOYSA-N 381.819 3.894 0 40 GHAB COc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc(OC)c1OC 16195266 KYYYEAAJMPFHSE-UHFFFAOYSA-N 377.265 3.660 0 40 GHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc21 17248009 QJXIBDSROGETQL-UHFFFAOYSA-N 378.881 3.830 0 40 GHAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccc3c(c2)OCO3)cc1 17747391 QQPYDLFOXKZNHL-RNWGTBAESA-N 375.380 3.519 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3cccs3)o2)cc1 19211472 YDZUVRODVDCKKE-CQSZACIVSA-N 375.475 3.632 0 40 GHAB O=C(COc1ccccc1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19373483 XHCUOJRPCBANRK-XJUOHMSHSA-N 382.479 3.731 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cscn3)cc2N1 19574836 VQRSPEPMUNWTCE-JIMOISOXSA-N 385.415 3.624 0 40 GHAB O=C(Nc1ccccc1CN1CCCC1)c1cccc(CN2CCCC2=O)c1 19717214 HVXHSTMVYQAMGY-UHFFFAOYSA-N 377.488 3.657 0 40 GHAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1cc(C)cc(C)c1 20152151 RFXJRVZUIJAIQB-UHFFFAOYSA-N 392.864 3.790 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245798 YULCYODXFPCKPG-UHFFFAOYSA-N 389.521 3.613 0 40 GHAB CCCCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 20245812 PLICJINIXMTPNC-UHFFFAOYSA-N 389.521 3.524 0 40 GHAB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccco2)n2c1nc1ccccc12 20675606 PXBJXMZWWRNUAJ-MOPGFXCFSA-N 395.459 3.935 0 40 GHAB CCc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O 22330061 FRHDCPTUPLWXRU-QGZVFWFLSA-N 388.533 3.509 0 40 GHAB Cc1cccc(CN2CCN(Cn3nc(-c4cccs4)[nH]c3=S)CC2)c1 22815681 CUTUPXRWEWCSQZ-UHFFFAOYSA-N 385.562 3.753 0 40 GHAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(C(F)(F)F)c1 23106219 QYGJVEMQFKFDCH-GOSISDBHSA-N 396.384 3.648 0 40 GHAB Nn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1C(F)(F)F 24047377 WQIFPBHHWVRHHP-UHFFFAOYSA-N 375.763 3.611 0 40 GHAB COc1ccccc1CN(Cc1cccs1)Cc1nnnn1-c1ccccc1 24816744 YRMLGZHLSKKCRC-UHFFFAOYSA-N 391.500 3.935 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)cc1 25431851 MQMFKQYZGJNIMJ-UHFFFAOYSA-N 380.448 3.829 0 40 GHAB COc1cc(F)c(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)cc1OC 27936038 SXWONOZTLNAEEA-UHFFFAOYSA-N 380.315 3.629 0 40 GHAB CCc1ccccc1Nc1nnc(SCc2ccc(OC)cc2)n(C)c1=O 28538922 DYZYAXQMLCRQLM-UHFFFAOYSA-N 382.489 3.782 0 40 GHAB O=C([C@@H]1Cc2ccccc2O1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 29476776 YQHNKALGCHOPDR-QAPCUYQASA-N 380.469 3.812 0 40 GHAB Cc1ccc(Nc2nc(N3CCOCC3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1C 32603938 VKLXVCHEGKCMII-HOTGVXAUSA-N 396.539 3.551 0 40 GHAB Brc1ccc(OCCN2CCC[C@H]2c2nnc3ccccn23)cc1 32797406 MHABKUZKWBWWSU-INIZCTEOSA-N 387.281 3.708 0 40 GHAB COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1noc(C2CCCCC2)n1 33013465 UWBUOCVSVBYNEY-UHFFFAOYSA-N 393.509 3.870 0 40 GHAB Cc1ccccc1NC(=O)c1sc2ncn(C[C@@H]3CCCO3)c(=O)c2c1C 35673358 OZXNVJIXMQABSG-AWEZNQCLSA-N 383.473 3.506 0 40 GHAB Cc1ccc2cc3c(nc2c1)N(NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C)CC3 35986554 GMWKESSKADELAE-PKTZIBPZSA-N 377.488 3.722 0 40 GHAB O=C1C[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N2N=CNC2=N1 38316015 CJPXJILTMFHPHO-INIZCTEOSA-N 389.242 3.748 0 40 GHAB CN(Cc1ccsc1)C(=O)Nc1cc2c(cc1Br)OCCO2 40103718 GYDOLWQMDARQOC-UHFFFAOYSA-N 383.267 3.946 0 40 GHAB C[C@H](C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)S(C)(=O)=O 40129054 UOCIOTPDSQYURP-CYBMUJFWSA-N 386.498 3.849 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@@H](C)c2ccccc2)cs1 40130555 ZAJBYAHABJNSOT-CYBMUJFWSA-N 383.473 3.759 0 40 GHAB CCc1cccc(CC)c1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 40640131 UAPQYAYTDUTHLJ-UHFFFAOYSA-N 386.517 3.994 0 40 GHAB COC(=O)c1cc(NC(=S)NCCc2ccc(OC)cc2)ccc1Cl 44385540 WFCCTUMKJMHXMG-UHFFFAOYSA-N 378.881 3.664 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(Cc2ccc(Cl)cc2)CC1 48260199 NTQBZQOCFOOZHC-UHFFFAOYSA-N 398.869 3.827 0 40 GHAB CC(C)n1ncc2cc(NC(=O)NC[C@H](c3ccccc3)N3CCCC3)cnc21 48278154 ZVQBNOQOZKGGRP-HXUWFJFHSA-N 392.507 3.971 0 40 GHAB O=C(CSc1nnc(N2CCCC2)n1C1CC1)N(C1=CCCCC1)C1CC1 48324315 FITKKTVDBGHKAD-UHFFFAOYSA-N 387.553 3.754 0 40 GHAB O=C(/C=C/c1cccnc1)OCc1nc(-c2ccc(Br)cc2)no1 51315200 PTNKANJPMGPFFU-FPYGCLRLSA-N 386.205 3.651 0 40 GHAB O=C(Oc1ccc(F)cc1F)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 54447537 XKDXHMQZFZQITE-GFCCVEGCSA-N 378.350 3.953 0 40 GHAB FC(F)(F)c1ccnc(N2CCC3(CC2)C[C@H]3c2nnc3n2CCCCC3)n1 71890518 JYBXJLSXRPEKGI-ZDUSSCGKSA-N 392.429 3.587 0 40 GHAB COC(=O)[C@H](C)[C@@H](NC(=O)Cc1coc(-c2ccccc2)n1)c1ccccc1 72310570 XMACIAVNAUBFNU-FOIQADDNSA-N 378.428 3.551 0 40 GHAB CC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(OCC(N)=O)cc2)S1 79501315 DRLJVIRWYQCKCV-HXUWFJFHSA-N 392.484 3.682 0 40 GHAB CCCC[C@H](NC(=O)NCC)C(=O)N[C@H](C)c1cccc(Br)c1 89950218 FCTMSWHQRWYHNT-DOMZBBRYSA-N 384.318 3.504 0 40 GHAB Cc1cc(C)n(-c2nc(CCNC(=O)/C=C/c3ccccc3Cl)cs2)n1 90609297 DJXCSYNBWFDPQO-BQYQJAHWSA-N 386.908 3.971 0 40 GHAB CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)O)cc1 95424903 CYQHLXKIAIQEGB-FVJLSDCUSA-N 397.471 3.554 0 40 GHAB COC(=O)C1CCC(C(=O)NCC2(c3ccc(OC)cc3)CCCCC2)CC1 95451459 GZKDKBJUQJPYEN-UHFFFAOYSA-N 387.520 3.993 0 40 GHAB COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1scnc1C 95962519 AJZMXGCLRSFQCC-OAHLLOKOSA-N 375.425 3.617 0 40 GHAB O=C(C[C@@H]1CC2(CCN(C(=O)C3CCCC3)CC2)Oc2ccccc21)NC1CC1 96079998 XTZXRUZHOAEHFV-GOSISDBHSA-N 396.531 3.773 0 40 GHAB Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)NCCc1ccccn1 96266340 UASJFBYMQFBUOB-UHFFFAOYSA-N 398.470 3.593 0 40 GHAB Cn1ccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1ccc(OC3CCCC3)cc1)C2 100150115 CKUOTEWSNUKNKN-PMACEKPBSA-N 395.547 3.861 0 40 GHAB CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 101708102 IXYSNJPFISXRPY-MBOZVWFJSA-N 384.520 3.633 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1cc(Cl)ccc1Cl 164342008 PEKPTVLATNXZIN-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB CSc1cccc(N(CC(=O)Nc2ccccc2SC)S(C)(=O)=O)c1 220067517 GBWJHZYEKSFVSW-UHFFFAOYSA-N 396.559 3.535 0 40 GHAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1 223674544 BRMQUXGQFYIDKH-NRFANRHFSA-N 396.531 3.830 0 40 GHAB Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224884666 GNOXMTPANRGCAE-QZTJIDSGSA-N 384.892 3.956 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CC(n2cc(COc3ccccc3)nn2)C1 225627622 DCXMFPRVBKFACD-ZHACJKMWSA-N 394.862 3.607 0 40 GHAB COc1cccc(-c2cc(C(=O)NCc3cccnc3-c3ccco3)n(C)n2)c1 225661801 QILVTWIFXGRZLA-UHFFFAOYSA-N 388.427 3.681 0 40 GHAB CCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2Cc3ccccc3C2)n1 225882561 OVBFZOCDWSHTFX-UHFFFAOYSA-N 396.564 3.539 0 40 GHAB O=C(Cc1c(F)cccc1Cl)NC[C@H](c1ccco1)N1CCSCC1 244969102 GYIUSSIMSVGNOP-MRXNPFEDSA-N 382.888 3.521 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)[C@H]1CC[C@H](OC)CC1 257219799 DIFKRUFSSXVMIS-YVWKXTFCSA-N 397.519 3.639 0 40 GHAB Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 257246572 IUSHVIFPRLASEP-CSHXORCISA-N 388.471 3.853 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3cccs3)C[C@H]2N1Cc1ccc(F)cc1 306144471 ZGCTZEIPAMHXRI-VQTJNVASSA-N 381.476 3.770 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)N[C@@H](c1ccsc1)c1cccs1 390826900 QZBJCPZCIVQLBR-SFHVURJKSA-N 391.539 3.879 0 40 GHAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nc(C)cc(C)n1 408620979 KVLKABOOJCQNAO-UHFFFAOYSA-N 385.276 3.536 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 408622061 ALNFQFLETXPBGS-MRXNPFEDSA-N 390.505 3.575 0 40 GHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)cc1 408622456 PKIFGYYHSFJWEW-RUDMXATFSA-N 390.848 3.573 0 40 GHAB O=C(Cc1nnc(O)c2ccccc12)N1CC2(CCCC2)c2c(F)cccc21 523337816 JZOSXHNAOXQTIC-UHFFFAOYSA-N 377.419 3.876 0 40 GHAB O=C(Cc1nsc2ccccc12)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 564874189 ZMVKEYGNUDBUHW-GFCCVEGCSA-N 394.422 3.918 0 40 GHAB O=C(Nc1cc(F)c(F)cc1N1CCCCC1)N(CCO)[C@@H]1CCCSC1 571099234 JSPBXECQLYVIAJ-CQSZACIVSA-N 399.507 3.677 0 40 GHAB CC1CCN(C(=O)CN2CCC(c3cccc(Nc4nccs4)n3)CC2)CC1 585262634 LOCDWQDEKGPPAV-UHFFFAOYSA-N 399.564 3.720 0 40 GHAB C[C@@H]1COc2ccccc2CCCCC2(CCN(C(=O)C3CCC3)CC2)C(=O)N1 643571974 VPZVSXBICIVZDX-GOSISDBHSA-N 398.547 3.705 0 40 GHAB COc1c(CNC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)oc2ccccc12 661059335 IDDULUOLUFWLQQ-IRXDYDNUSA-N 380.444 3.813 0 40 GHAB O=C(c1ccccc1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@@]21CCOC1 1614939621 USFOMIUUIMHINL-RUZDIDTESA-N 390.527 3.832 0 40 GHAB Cc1nc2ccccc2nc1N1CCC(COc2ccc(C3CC3)nn2)CC1 1775966290 WMDTVOHWTHZKKW-UHFFFAOYSA-N 375.476 3.901 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1ccc2nsnc2c1 1775977247 HRNSNMVNJNRFGE-KRWDZBQOSA-N 381.482 3.883 0 40 GHAB Cc1nccn1-c1cc(N2CCN(c3cccc(Cl)c3Cl)CC2)ncn1 1888913406 OXISGUZMAWEHMW-UHFFFAOYSA-N 389.290 3.604 0 40 GHAB CCOC(=O)C1CCN(C(=O)[C@H](C)Nc2cccc(OC3CCCC3)c2)CC1 72273597 SFQULTWYLUBJLS-INIZCTEOSA-N 388.508 3.610 0 40 GHAB CCOC(=O)C1=C(NC(=O)c2cc3ccccc3oc2=O)S[C@H]2CCCC[C@H]12 887341 FZUKDOCYMSNRLM-BBRMVZONSA-N 399.468 3.603 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(n2cnnn2)CCCCC1 61717610 ZFAGVGRSCWLFCL-UHFFFAOYSA-N 377.448 3.550 0 40 GHAB CCN(CC)[C@@H](CNC(=O)[C@H]1Cc2ccccc2S1)c1cccc(OC)c1 23074406 OMKHLHCXFROAKY-PZJWPPBQSA-N 384.545 3.911 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 1367991 XAQOMOZGLFIXRD-VXGBXAGGSA-N 391.562 3.745 0 40 GHAB OCCN(CCO)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 1752926 FXDMSJBPJMIMFF-UHFFFAOYSA-N 393.483 3.636 0 40 GHAB COc1ccc(OCC(=O)/N=c2/sc3c(Cl)ccc(C)c3n2C)cc1 104907320 IYMPKHNYFBZDKD-CZIZESTLSA-N 376.865 3.717 0 40 GHAB CN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 3217226 UPNQBCUWBKQRGE-UHFFFAOYSA-N 375.354 3.604 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(CC)cc2)c1C 4549564 XUAOOZQBOKZMOS-CQSZACIVSA-N 386.448 3.555 0 40 GHAB COC(=O)c1cc2ccccc2cc1OCC(=O)N[C@@H]1CCOc2ccccc21 24835106 GVENYHIFXAQEFJ-LJQANCHMSA-N 391.423 3.645 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 6767061 DRDLBJQIMKGEDU-CYBMUJFWSA-N 392.908 3.620 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1nc(-c2cccs2)no1 7294362 KQOHYAAZWZMZQA-UHFFFAOYSA-N 380.429 3.958 0 40 GHAB Cc1nnc(S/C(=C\c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)O)o1 7603692 HBLUMVJHGVXTJX-AUWJEWJLSA-N 391.336 3.903 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCCCC1 7604449 WGIYIKLICMZSEI-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB CC(=O)Nc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3C=O)o2)cc1 7610256 YYTVAEBLBHJMQE-UHFFFAOYSA-N 384.373 3.567 0 40 GHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(OC(F)F)cc1 7988725 HMMMJKWBFPRPNO-UHFFFAOYSA-N 388.370 3.884 0 40 GHAB COC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1cnc2ccccc2c1 59842279 ITQQMEOVXOZFAV-UHFFFAOYSA-N 382.850 3.537 0 40 GHAB CSc1ccc(N2C[C@H](C(=O)NCCCOC3CCCCC3)CC2=O)cc1 25600332 UKMODLJVNUSJTA-MRXNPFEDSA-N 390.549 3.617 0 40 GHAB Cc1ccc2c(c1)N(C(=O)COC(=O)c1ccc(Cl)c(Cl)c1)CCO2 51356087 MRZIDXVZUMPBJW-UHFFFAOYSA-N 380.227 3.884 0 40 GHAB CC(=O)Nc1cc(C(=O)CSc2nccn2-c2ccccc2C)ccc1O 26047205 XFGJEYBZOKPKDI-UHFFFAOYSA-N 381.457 3.820 0 40 GHAB CCCOC(=O)COc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1 1770112 AOLHTWUIEKLOMQ-UHFFFAOYSA-N 384.384 3.926 0 40 GHAB biogenic Cc1ccc(NC(=O)CSc2nnc3n2CCN3c2ccc(F)cc2)c(C)c1 9573963 KUVQDPSOLXMZAY-UHFFFAOYSA-N 397.479 3.917 0 40 GHAB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)COc2ccccc2C)CC1 58162144 RNDVYEIXOHJFSU-SFHVURJKSA-N 399.510 3.532 0 40 GHAB Cc1cc(O)c(CN2CCC[C@@H]2C(=O)O)c2c1C(=O)/C(=C/c1ccc(F)cc1)O2 57312340 QIZQIPIWBKNXQT-LTKMBJGESA-N 397.402 3.505 0 40 GHAB CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 10511934 DULFLROHXGGOFA-UHFFFAOYSA-N 396.559 3.509 0 40 GHAB CCOC(=O)[C@@](O)(c1ccc(NC(=O)Oc2ccccc2)cc1)C(F)(F)F 2257398 LISVHODEVVUFEA-KRWDZBQOSA-N 383.322 3.611 0 40 GHAB CCOc1ccc(-c2nsc(NC(=O)c3ccccc3OC)n2)cc1OC 28286753 VEKIGYRTJPORHV-UHFFFAOYSA-N 385.445 3.873 0 40 GHAB CC(=O)NCCc1ccc(C(=O)CSc2nc(-c3ccccc3)c[nH]2)cc1 26128638 IBBWLWFMKBEDIN-UHFFFAOYSA-N 379.485 3.730 0 40 GHAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)NCC1(c2ccccc2)CC1 22545657 VIEOBUMLAZVQFL-UHFFFAOYSA-N 377.362 3.710 0 40 GHAB CCCCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 2405525 YPZSSAOQPKVHMJ-UHFFFAOYSA-N 386.502 3.861 0 40 GHAB COC(=O)c1cn(CC(=O)Nc2cc(Cl)c(N)c(Cl)c2)c2ccccc12 45621782 OIMYNXIFXOLASS-UHFFFAOYSA-N 392.242 3.956 0 40 GHAB CSc1ccccc1NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10362135 OECKRRZTWUAWPY-HNNXBMFYSA-N 392.546 3.819 0 40 GHAB Cc1cc(C)nc(-n2nc(C)cc2OC(=O)c2ccc(Br)cc2)n1 10382220 QPNNMUFCOBRJOQ-UHFFFAOYSA-N 387.237 3.569 0 40 GHAB CC(=O)NCc1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)cc1 23993609 KJRRQTBXPPIUBB-UHFFFAOYSA-N 381.453 3.757 0 40 GHAB COCCCOc1cccc(NC(=O)c2ccn(-c3cc(C)ccc3OC)n2)c1 176736872 PCENHEZVZFAMRU-UHFFFAOYSA-N 395.459 3.857 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1ccc(Br)cc1 22622437 YIYWHRHKJBYJAL-UHFFFAOYSA-N 390.277 3.812 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)c1cc2ncc(Br)cn2n1 2794018 PICQUKKGQFETBI-UHFFFAOYSA-N 385.143 3.763 0 40 GHAB O=C(NCc1ccccc1F)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12804140 CJPVBULSANQKHW-SXYIGIQMSA-N 384.495 3.649 0 40 GHAB COc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(Br)cc2)c1 72329223 MLJBOWQDDPERHW-UHFFFAOYSA-N 386.249 3.778 0 40 GHAB COCCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nc2ccccc21 3499060 OTCZFKLZBADWKV-SFHVURJKSA-N 395.528 3.969 0 40 GHAB O=C(COC(=O)c1ccc(Br)cc1)NCc1ccccc1Cl 3508751 HNMJZBFURQWWAF-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=S)NC(=O)C(C)C 408620468 JCGNNKMDVGWLGK-UHFFFAOYSA-N 387.896 3.851 0 40 GHAB Cc1cc(C)c(NC(=O)c2nnn(CC(=O)Nc3ccc(F)cc3)c2C)c(C)c1 71327193 QEYCPJGYUYAXAG-UHFFFAOYSA-N 395.438 3.542 0 40 GHAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@H](O)c4ccc(O)cc4)[C@H]3C=C12 4073810 UIYOCYWELGJUCX-IURAJXBBSA-N 399.531 3.672 0 40 GHAB biogenic COc1ccccc1[C@@H](C)NCC(=O)NCCSc1ccc(Cl)cc1 49581238 FSRPFQFCRORLOW-CQSZACIVSA-N 378.925 3.908 0 40 GHAB CCOc1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1OCC 20483488 WRAMJYGZYNUHSE-UHFFFAOYSA-N 396.531 3.761 0 40 GHAB COc1ccc2[nH]cc(C3CCN(C[C@@H](O)COc4ccccc4)CC3)c2c1 65492519 QDZBWLXWOQOETB-GOSISDBHSA-N 380.488 3.796 0 40 GHAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1ccc(C(C)(C)C)cc1)C2=O 6368212 VCPMOYUDSXVNLM-NYHFZMIOSA-N 386.492 3.528 0 40 GHAB COc1ccc2c(c1)CCc1cc(C(=O)O[C@H](C(N)=O)c3ccccc3)sc1-2 14048200 FSHODJOYENSGKJ-IBGZPJMESA-N 393.464 3.906 0 40 GHAB Cc1ccc2c(c1)[C@@]1(N[C@@H](CC(C)C)C[C@@H]1C(=O)Nc1ccc(F)cc1)C(=O)N2 5354258 LOVRDOCOLQWRKA-GWJPWWOOSA-N 395.478 3.944 0 40 GHAB COc1ccc(C2=NO[C@@]3(CC(=O)N(c4ccc5ccccc5c4)C3=O)C2)cc1 5396187 FXVQMOLCKSUKSK-HSZRJFAPSA-N 386.407 3.675 0 40 GHAB O=C(Nc1cccnc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 6497127 GHWGDSJPZQOKTH-UHFFFAOYSA-N 393.896 3.552 0 40 GHAB Clc1ccc(-c2nnc3sc(Cc4ccc5c(c4)OCCO5)nn23)cc1 4511687 GMBCEQDQQIUNGV-UHFFFAOYSA-N 384.848 3.868 0 40 GHAB COc1ccc2c(C)c(CC(=O)Nc3ccc(NC(C)=O)cc3)c(=O)oc2c1C 6660961 DGZHOWUYGRTDKJ-UHFFFAOYSA-N 394.427 3.558 0 40 GHAB COc1ccccc1S(=O)(=O)Nc1cc(C)nn1-c1ccc(Cl)cc1 66247721 DSOHEQDPJNVPBN-UHFFFAOYSA-N 377.853 3.644 0 40 GHAB COc1ccc(S(=O)(=O)NCCc2csc(-c3cccs3)n2)cc1F 6756553 NWDNVVIHBDLYFN-UHFFFAOYSA-N 398.506 3.540 0 40 GHAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccoc1COc1ccc(Cl)cc1 6759816 RYYWJVRCSUBKGS-UHFFFAOYSA-N 395.806 3.740 0 40 GHAB O=C(Cc1n[nH]c(=O)c2ccccc12)O[C@H](C(=O)c1ccccc1)c1ccccc1 5754454 YQWMEFGTVQBQLX-QHCPKHFHSA-N 398.418 3.633 0 40 GHAB CCc1cccc(C)c1NC(=O)CN1C(=O)C(c2ccc(F)cc2)=NC1(C)C 71769033 DGQZPPNWBQBQMN-UHFFFAOYSA-N 381.451 3.703 0 40 GHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(Cl)cc2)n2nnnc2N1 4878712 XRURZOFQMOIISC-SFHVURJKSA-N 394.866 3.871 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccnc4)o3)c2C)no1 4889796 YJFNLEYHBLCTIJ-UHFFFAOYSA-N 395.444 3.811 0 40 GHAB Cc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)c1Cc1ccccc1 4818151 HHQJTTDITAMUOR-UHFFFAOYSA-N 394.906 3.649 0 40 GHAB O=C(NCc1ccncc1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 5936944 UVEHTUGJZZTLHR-UHFFFAOYSA-N 383.407 3.956 0 40 GHAB Cc1cccc(N(Cc2ccccc2)C(=O)COc2cccc(-n3cnnn3)c2)c1 7089740 PDWSAAKKZKPCOE-UHFFFAOYSA-N 399.454 3.583 0 40 GHAB CC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c1 7015078 KYSBZICUHMYAHP-UHFFFAOYSA-N 381.819 3.649 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCC(Cc3ccccc3)CC2)c1C 7007342 MXOXFRLNVRSTQO-UHFFFAOYSA-N 382.504 3.946 0 40 GHAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 15879738 KTUVBTPELYNWRG-AWEZNQCLSA-N 378.428 3.837 0 40 GHAB O=C(Nc1ccc2c(c1)OCCCO2)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 8156926 JJUGJXLORHNQHG-INIZCTEOSA-N 395.459 3.731 0 40 GHAB O=S(=O)(N[C@H]1CCSc2ccc(F)cc21)c1ccc2c(c1)OCCCO2 8316552 SPSWURRCEFMEGO-HNNXBMFYSA-N 395.477 3.502 0 40 GHAB Cc1cccc(-c2nc3nc(O)cc(NC(=O)c4ccc(Cl)cc4)n3n2)c1 17016760 AQOXSRPMYIYXKJ-UHFFFAOYSA-N 379.807 3.711 0 40 GHAB COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 17058293 HIMABZVWYZLVPG-KRWDZBQOSA-N 377.444 3.980 0 40 GHAB C[C@@H](C(=O)N(C)C1CCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 20483742 DPQAJQMEPYLOFZ-NSHDSACASA-N 393.336 3.549 0 40 GHAB O=C(O)CCSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 408749585 HTSAGNBOTCCLAU-TXEJJXNPSA-N 390.486 3.543 0 40 GHAB Cc1ccc(-c2nonc2NC(=O)COc2ccc(Br)cc2)cc1 8915690 VTUUIDSGGCBXCP-UHFFFAOYSA-N 388.221 3.825 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1nnc(C2CC2)o1 89662125 LRGIYYNINPPMOC-CVEARBPZSA-N 376.501 3.701 0 40 GHAB CCN1C(=O)S/C(=C\c2cn(CC(=O)NC3CCCC3)c3ccccc23)C1=O 409146137 RPSQTPZZBOUTSS-WQRHYEAKSA-N 397.500 3.756 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 24357694 HGJHHIIOBQSAGH-NSHDSACASA-N 387.379 3.532 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OC 409250794 SEJAMMHUBSOAPB-MHWRWJLKSA-N 386.835 3.840 0 40 GHAB CC[C@H](c1ccccc1)S(=O)(=O)NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 529019638 IDCQIZOFFDBAPP-IPMKNSEASA-N 375.465 3.917 0 40 GHAB Cc1ccccc1NC(=O)CSc1nccn(-c2cccc(Cl)c2)c1=O 6915375 OXIGIQKSZYCKRF-UHFFFAOYSA-N 385.876 3.925 0 40 GHAB O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc(Cc2ccccc2)[nH]n1 565258920 NANHFQKNGZDZOF-HXUWFJFHSA-N 387.443 3.981 0 40 GHAB O=C1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)N2N=CNC2=N1 38185838 WTFDFOZPEMNHTD-OAHLLOKOSA-N 389.242 3.748 0 40 GHAB O=C(NCCCN1CCO[C@H](c2ccccc2)C1)c1cccc(C(F)(F)F)c1 35592963 RBLRSZGVFGIHRG-IBGZPJMESA-N 392.421 3.899 0 40 GHAB Cc1c(C(=O)O)c(N2CCN(Cc3ccccc3)[C@H](C)C2)nc2ccccc12 566290271 DOXYDSXBPNSGQL-MRXNPFEDSA-N 375.472 3.952 0 40 GHAB Cc1nc(-c2ccccc2NC(=O)N2CC[S@@](=O)C(C)(C)CC2)cs1 563120525 ITPFRECFGXRFKT-RUZDIDTESA-N 377.535 3.883 0 40 GHAB CN(C(=O)Cc1ccc2c[nH]nc2c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 526011568 HFPCYUTUDALWKS-PKOBYXMFSA-N 390.270 3.529 0 40 GHAB Cc1ccc(C)c(CN2CC=C(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)c1 72339528 LLZQOMQJPBAAHU-UHFFFAOYSA-N 392.547 3.836 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 44903293 FJRVSNJTBQFXDN-QGZVFWFLSA-N 396.512 3.792 0 40 GHAB C[C@H]1Cc2ccccc2N1CCCNC(=O)COc1ccc2c(c1)CCCC2 223600256 IHSNTPWRUHFZKA-SFHVURJKSA-N 378.516 3.902 0 40 GHAB CC[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(OC)c(OC)c1 222646187 BGTYJAXNBRIBBQ-KRWDZBQOSA-N 385.460 3.675 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 222427665 OMXZGRFUNZJBRN-LJQANCHMSA-N 382.504 3.626 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F 225247363 IFTKLRHGXPUPSM-CVEARBPZSA-N 388.458 3.839 0 40 GHAB O=C(CC(c1ccccc1)c1ccccc1)NC[C@@]1(O)CCOc2ccccc21 77099969 NUTUGZPFKYMFGP-VWLOTQADSA-N 387.479 3.995 0 40 GHAB CC[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc2c(c1)CCCC2 223066882 SPLMQERAFZCBDG-HXUWFJFHSA-N 386.517 3.818 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)COc1ccc(C)c(C)c1 223251269 YXKGFWHXIQEMHA-AWEZNQCLSA-N 383.897 3.711 0 40 GHAB O=C(COc1ccccc1F)NCc1cccc(NC(=O)c2cccc(F)c2)c1 48375166 QSVOASDFRVBMOU-UHFFFAOYSA-N 396.393 3.912 0 40 GHAB CCc1cccc(C)c1NC(=O)COc1cc(C)nc(N2CCC[C@H](C)C2)n1 44168408 DSWGQOPSXSUADO-HNNXBMFYSA-N 382.508 3.910 0 40 GHAB CCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1ccc(SC)cc1 224977810 ZQTFPHNEUFLXMS-UHFFFAOYSA-N 379.503 3.800 0 40 GHAB Cn1nnnc1COc1ccc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 96192612 OKALTHJLUNHDDR-UHFFFAOYSA-N 399.454 3.637 0 40 GHAB Cc1cc(NC(=O)Cc2scnc2-c2ccccc2)n(C2CCN(C)CC2)n1 580396708 GTPZANBDZFTFQH-UHFFFAOYSA-N 395.532 3.763 0 40 GHAB CN(C)c1nc([C@@H]2CCCN2C(=O)c2ccc3ccccc3n2)cn2cccc12 257286910 PNPYKDAUKCYAKS-FQEVSTJZSA-N 385.471 3.926 0 40 GHAB O=C(c1cc(C(F)(F)F)cnc1O)N1C[C@@H]2CCCCN2c2ccccc21 635971796 LBUWXWKPMVOWKJ-ZDUSSCGKSA-N 377.366 3.825 0 40 GHAB O=C(NC[C@H](c1ccccc1)c1nc[nH]n1)c1ccc(SC(F)(F)F)cc1 1157823871 FSHBIWTUAMSWHH-OAHLLOKOSA-N 392.406 3.979 0 40 GHAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)NC1CCCCCC1 585111505 CGSZNRANXVWCPX-HXUWFJFHSA-N 382.508 3.567 0 40 GHAB CCOC(=O)CN(Cc1ccc(C(F)(F)F)cc1)Cc1nnc(C(C)C)o1 60372825 NERIXFNSBJAFMK-UHFFFAOYSA-N 385.386 3.777 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1C(=O)O 40050408 DXNLEUZDLVINRK-UHFFFAOYSA-N 376.821 3.696 0 40 GHAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)CCc1nc(-c2ccncc2)no1 58201491 NXZKVKUNTKRQNP-MRXNPFEDSA-N 378.476 3.937 0 40 GHAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cccc(OCC(F)(F)F)c3)C2=O)cc1 58427838 DUFURZWPMYRIBD-IBGZPJMESA-N 392.377 3.903 0 40 GHAB COc1cc(/C=C/C(=O)Nc2cccc(Br)c2)cc2c1OCCO2 7039441 RJHXXODBGRXTEP-AATRIKPKSA-N 390.233 3.881 0 40 GHAB O=c1c(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)coc2ccccc12 12119243 ZXOCRBWBTPEGNQ-MRXNPFEDSA-N 376.412 3.538 0 40 GHAB CN(Cc1nc(N2CCCC2)ncc1-c1ccncc1)C(=O)CC1CCCC1 12222438 KOCJZHLJHIMRFU-UHFFFAOYSA-N 379.508 3.678 0 40 GHAB COc1ccc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)c(Cl)n1 12326477 BIKXAXYYHVCXOR-UHFFFAOYSA-N 395.850 3.691 0 40 GHAB CC(C)N(C(=O)[C@@H](C)OC(=O)c1csc(NCc2ccccc2)n1)C(C)C 12768726 GZVDXKUYDARFIN-OAHLLOKOSA-N 389.521 3.946 0 40 GHAB O=c1/c(=C/c2c(Cl)cccc2Cl)sc2nnc(Cc3ccccc3)n12 13547104 FISICUFHYVQVAC-GDNBJRDFSA-N 388.279 3.596 0 40 GHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCn1c(=O)n(C)c2ccccc21 14777299 IEQGBRHVFSIXFY-UHFFFAOYSA-N 392.286 3.696 0 40 GHAB COC(=O)C[C@@H](C)N(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 16925322 UQVFKHFDIJAEAW-CQSZACIVSA-N 381.881 3.795 0 40 GHAB NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CCC2)C1 19344544 ZGTCRXNMZLDWGF-QFIPXVFZSA-N 382.529 3.852 0 40 GHAB COc1cccc(C(=O)N2CC[C@@H](C(=O)Nc3nc4c(s3)CCCCC4)C2)c1 19750230 IYDWMTMUTCAQNU-OAHLLOKOSA-N 399.516 3.521 0 40 GHAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)cc3)C2=O)c1 6473020 FVHQPUBBPRRHQW-LICLKQGHSA-N 382.441 3.684 0 40 GHAB CC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)CCc2ccno2)CC1 19022234 NKSMEBHXZTVRID-UHFFFAOYSA-N 392.459 3.520 0 40 GHAB COc1cc(N[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1N1CCCC1=O 10185139 SXILVKWJILVWJV-BVIKNXMNSA-N 387.524 3.563 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)cc2)cc1 800828 OKYLPGGTLCEBKE-KRWDZBQOSA-N 396.921 3.735 0 40 GHAB O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 4174015 FRYWHEQIUDLJKQ-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB COc1ccc(-c2cccc(NS(=O)(=O)c3cc(C)c(C)cc3OC)c2)nn1 4320247 KNALHIUYPWVBDJ-UHFFFAOYSA-N 399.472 3.578 0 40 GHAB COc1cccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c1 5136415 AUFILPIJQATPFX-UHFFFAOYSA-N 382.460 3.648 0 40 GHAB O=C(CSc1ccc(NC(=O)c2ccccc2)nn1)Nc1ccccc1F 11737781 QOSAAQYKTCWVAP-UHFFFAOYSA-N 382.420 3.599 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cc1 13715949 AZCMVFPQMPCRPO-UHFFFAOYSA-N 380.488 3.823 0 40 GHAB Cc1ccc(C)c(NC(=O)Cn2c(=O)cc(-c3nc(C)no3)c3ccccc32)c1 49401262 BUYBQPSOBAATOV-UHFFFAOYSA-N 388.427 3.615 0 40 GHAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)c1cc(C)sc1C 40080884 IDCRRDJOOZOSAT-SWLSCSKDSA-N 380.535 3.687 0 40 GHAB O=C(CCSCc1nc(-c2ccccc2)no1)Nc1ccc2c(c1)OCO2 40086352 AAUPGVZEILVVID-UHFFFAOYSA-N 383.429 3.727 0 40 GHAB Cc1ccc(OC(F)F)c(C(=O)Cn2cnc3cc(Cl)ccc3c2=O)c1 31786509 KUFSKSZVCNZETP-UHFFFAOYSA-N 378.762 3.843 0 40 GHAB COc1cc(-c2ccccc2)sc1C(=O)NCc1nnc2n1CCCCC2 51228534 KYTSBLHOCLKPNO-UHFFFAOYSA-N 382.489 3.672 0 40 GHAB Cc1cccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@@H]3c2ccc(F)cc2)c1 101298372 IHJSUKYECZRHSA-GOSISDBHSA-N 392.390 3.566 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(Cc2ccco2)CC1 32851063 IEZGYEIBMOHZGI-ZDUSSCGKSA-N 382.291 3.731 0 40 GHAB O=C(Nc1ccc(N2CCCC2)nc1)C1CCN(c2nc3ccccc3o2)CC1 22391979 WLYIMXKTTWAEBM-UHFFFAOYSA-N 391.475 3.678 0 40 GHAB CC(C)C(=O)N1CCC[C@H](C(=O)NCc2cccc(OCc3ccccc3)c2)C1 53573916 IBJXBNXJWFTPOF-NRFANRHFSA-N 394.515 3.776 0 40 GHAB O=C(CN1CCN(Cc2cccs2)CC1)Nc1c(Cl)cccc1Cl 22784144 PWTRRWOHTNFCCH-UHFFFAOYSA-N 384.332 3.811 0 40 GHAB COc1cccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)c1 631468 NCQNKKWQVKFREW-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)cc1 792280 LJVFIVOMEILGCY-HNNXBMFYSA-N 392.908 3.688 0 40 GHAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 921649 YIXOTXAPNRXEQT-HTAPYJJXSA-N 398.462 3.771 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3 933382 HWQLWQYHLZWDJI-UHFFFAOYSA-N 399.541 3.831 0 40 GHAB Cc1nc(N2C[C@@H](C)C[C@H](C)C2)c2nnn(Cc3c(F)cccc3Cl)c2n1 1338258 DYPVIGQOMZLGOM-RYUDHWBXSA-N 388.878 3.853 0 40 GHAB CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cc(C)ccc2C)cc1 2073932 CMFOSMFNLUVPFR-UHFFFAOYSA-N 381.428 3.651 0 40 GHAB CCOC(=O)[C@](O)(c1ccc(N(C)C(=O)Nc2ccccc2)cc1)C(F)(F)F 2274854 RGFLFORNONRZDQ-GOSISDBHSA-N 396.365 3.668 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N(CCc1ccccc1)Cc1ccccc1 2457122 KEPRTAFRCOIRCK-UHFFFAOYSA-N 386.451 3.866 0 40 GHAB COC[C@@H](C)n1c(SCC(=O)c2cc(C)n(C)c2C)nc2ccccc2c1=O 2618690 KVGWWMSDYDEQCG-CQSZACIVSA-N 399.516 3.534 0 40 GHAB COc1ccccc1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3550978 HMKCGENDVZQDPG-UHFFFAOYSA-N 379.485 3.962 0 40 GHAB CCCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1Cc1ccccc1 4087384 JGTNHFBPQYTFLH-UHFFFAOYSA-N 396.516 3.767 0 40 GHAB COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 4388387 NPEGLDYUIVAQEI-UVLALUNPSA-N 397.519 3.777 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1 4571988 IXCQNLZGTMKMHI-AWEZNQCLSA-N 395.484 3.995 0 40 GHAB O=C1N/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccc(F)cc1 4699433 JGFLXYWZNCYAOU-OQLLNIDSSA-N 375.197 3.681 0 40 GHAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(I)o1 4714182 LNTWBMZIIGCJEV-XFFZJAGNSA-N 399.571 3.882 0 40 GHAB CCCOc1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 5769213 IGWCAUSZMHHYPB-MRXNPFEDSA-N 399.443 3.627 0 40 GHAB CCOc1cccc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)c1 5980546 RMKFRXBUULEGMM-UHFFFAOYSA-N 379.445 3.812 0 40 GHAB COc1ccc2c(C)c(CCC(=O)Nc3cccc(C(C)=O)c3)c(=O)oc2c1 6660940 NIVOBXDILJBZDN-UHFFFAOYSA-N 379.412 3.884 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cc(Cl)ccc1N 7031586 HZHXRKILLCILQF-UHFFFAOYSA-N 398.850 3.520 0 40 GHAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOC)CC1=O 7543655 FJNOGWCZXVYIRR-MRXNPFEDSA-N 379.460 3.602 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(NC[C@@H]2CCCO2)s1 8157042 JWWGJHNPSYSJEF-LBPRGKRZSA-N 388.518 3.894 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)CSc1ccc2ccccc2n1)c1ccccc1 8719848 IVPNDWOFRCRKDT-NRFANRHFSA-N 388.496 3.966 0 40 GHAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(Cl)c1 8972105 VXWDHGMZBYAGFG-UHFFFAOYSA-N 385.851 3.542 0 40 GHAB O=C(c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)N1CCOCC1 8981869 RBNMXSWMMLHSPQ-UHFFFAOYSA-N 381.863 3.724 0 40 GHAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cc(C)ccc21 9077693 QBXBVGMRYUGWPX-VZCXRCSSSA-N 388.876 3.969 0 40 GHAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)cc1C 9320923 GOLZTCUMIKMPAW-HNNXBMFYSA-N 377.400 3.603 0 40 GHAB COc1cc(CN(C)C(=O)c2cccc(NC(C)=O)c2)ccc1OC(F)F 10030544 ACGVARXLBXDHLG-UHFFFAOYSA-N 378.375 3.527 0 40 GHAB CCC(CC)(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)C(=O)O 10169684 GSCXBWOOPADCIB-UHFFFAOYSA-N 384.358 3.506 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(CN(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)o1 10229019 VIGJOOBFSQPBRC-DNVCBOLYSA-N 381.476 3.600 0 40 GHAB CCN(CC)C(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10331989 KCTSYXIDDNNLJE-UHFFFAOYSA-N 394.924 3.788 0 40 GHAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2c(Cl)cccc2Cl)NC(=O)N1C 10354106 PCWPXBJACXGADG-OAHLLOKOSA-N 395.246 3.899 0 40 GHAB CC1(C)CC(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC(C)(C)N1 10812523 XHFUSZGCBZHELI-UHFFFAOYSA-N 387.568 3.529 0 40 GHAB CC(C)c1cc(NC(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)on1 11253829 XBNVPXJSMHRXIS-UHFFFAOYSA-N 399.278 3.614 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11255728 RERMJCYTWDUTJZ-HXPMCKFVSA-N 386.835 3.634 0 40 GHAB CC(C)NC(=O)c1cccc(-c2ccccc2CC2(C(=O)O)CCOCC2)c1 12220241 DLALDNVEBONEEY-UHFFFAOYSA-N 381.472 3.916 0 40 GHAB CCCOc1cc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc(C)n1 12223720 WKUVJAAMXRWISV-UHFFFAOYSA-N 390.487 3.689 0 40 GHAB O=C(NC1(CCc2ccc(NC(=O)C3CC3)nc2)CCCCC1)c1ccccn1 12337907 YTKIEHQDUNURPA-UHFFFAOYSA-N 392.503 3.891 0 40 GHAB C[C@H]1CCc2c(sc3ncn(Cc4noc(-c5cccs5)n4)c(=O)c23)C1 12552915 UIDLSBQALZYUQD-JTQLQIEISA-N 384.486 3.743 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1ccccc1S(=O)(=O)N1CCCCC1 12785914 VJDCKNIHBOXFIM-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB Cc1cccc(-n2ncc(C(=O)N3CCN(Cc4ccccc4F)CC3)c2C)c1 12872568 WNNVADBCUYUAGT-UHFFFAOYSA-N 392.478 3.586 0 40 GHAB Cc1ccc(C)c(OCCN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c1 12872785 YKLKGVJWMJHDEI-HSZRJFAPSA-N 378.472 3.856 0 40 GHAB O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1CCOc1ccccc1Cl 12872803 AGLXFPWNMAFMKZ-OAQYLSRUSA-N 384.863 3.893 0 40 GHAB Cc1cccc(Cc2cnc(NC(=O)CNC(=O)c3cccc(C)c3)s2)c1 12921017 KGQCYLBZBRIBSX-UHFFFAOYSA-N 379.485 3.719 0 40 GHAB Cc1ccc(CNC(=O)c2ccccc2SCC(=O)NCc2ccco2)cc1 13042018 SKCBEFYYNFXCCS-UHFFFAOYSA-N 394.496 3.927 0 40 GHAB COc1ccc2cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)ccc2c1 14199605 SMORLMFJYFAQOY-FQEVSTJZSA-N 396.512 3.713 0 40 GHAB COc1cc(OC)c(NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1Cl 14347513 ZLVLHBKGGUXKCA-UHFFFAOYSA-N 390.745 3.946 0 40 GHAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(Cl)ccc1N1CCCCC1 14912209 LKEOJWDLOCYVCS-UHFFFAOYSA-N 396.878 3.748 0 40 GHAB CCCc1nnc(SCC(=O)Nc2ccccc2Cl)n1C[C@@H]1CCCO1 15935384 NSIJSCJHZSOSCQ-ZDUSSCGKSA-N 394.928 3.794 0 40 GHAB Cc1nc2sc([C@@H](c3ccccc3Cl)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 17144229 IQSWARWUUVMLHU-JRPNMDOOSA-N 392.912 3.657 0 40 GHAB Cc1ccccc1NC(=O)C[C@H]1SC(c2cc3ccccc3oc2=O)=NC1=O 18992430 NOAOYPBWSVOBIN-QGZVFWFLSA-N 392.436 3.519 0 40 GHAB Cc1ccn(CCC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2Cl)n1 19238098 OGRBQKKHZYJVFN-LJQANCHMSA-N 397.910 3.674 0 40 GHAB Cc1nc(C)c(C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)s1 19559949 MHSWJWXUDXQYSO-UHFFFAOYSA-N 385.533 3.696 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccs2)C1 19591773 OWLBKHYDUPMFMJ-QHCPKHFHSA-N 391.540 3.991 0 40 GHAB COc1ccc(C(=O)N[C@@H](N2CCCCC2)C(Cl)(Cl)Cl)cc1OC 19792346 DBGIHNSRSNOOBJ-HNNXBMFYSA-N 395.714 3.616 0 40 GHAB COc1ccc(S[C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 20042892 KEHWESBLLHVRDK-CQSZACIVSA-N 375.490 3.552 0 40 GHAB CC/C(N[C@H](C)c1ccccc1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 20290824 IPWWTMZCTITZLW-QFPXGYFVSA-N 377.444 3.593 0 40 GHAB O=C(O)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 21658375 LXSLRNYRUMRMKK-UHFFFAOYSA-N 394.294 3.691 0 40 GHAB COC(=O)c1cc2cc(NC(=O)c3c[nH]c4ccccc4c3=O)ccc2s1 22234077 OKSMSVDKYMMBDE-UHFFFAOYSA-N 378.409 3.782 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)NC[C@H](c1ccccc1)N(C)C 22877376 RFERKGOIPKPUBL-KBXCAEBGSA-N 375.900 3.568 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)Cc2csc(-c3ccco3)n2)CC1 22964544 ICKAHAZGYABNLI-UHFFFAOYSA-N 396.516 3.726 0 40 GHAB COc1ccccc1-n1ncc2c(C(C)C)nnc(SCC(=O)NC(C)C)c21 23137912 RVSDSIFGAHCMIX-UHFFFAOYSA-N 399.520 3.564 0 40 GHAB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCc3nc(C)no3)[C@H]2c2cccs2)cc1 23373307 HGAJXSKCOGOHCY-BEFAXECRSA-N 397.456 3.586 0 40 GHAB Cc1cc(=O)c(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)nn1-c1ccccc1Cl 23431718 BXKJJIZGZVKLSU-HZPDHXFCSA-N 385.895 3.847 0 40 GHAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 23805638 ALPVPVGQMKFUTN-HNAYVOBHSA-N 391.471 3.983 0 40 GHAB C[C@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)c1ccc2c(c1)CCC2 24280950 NXTVDFQDXAGCAP-HNNXBMFYSA-N 385.504 3.574 0 40 GHAB CCOC(=O)N1CCC(NC(=O)COC(c2ccccc2)c2ccccc2)CC1 24471665 TUHDQKHULPSOOP-UHFFFAOYSA-N 396.487 3.530 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccccc1C 25222674 GFTQVLYMZUYXKH-AWEZNQCLSA-N 389.883 3.555 0 40 GHAB COc1cc2c(cc1OC)CN(Cc1cc(=O)oc3c(C)c(C)ccc13)CC2 25479952 XGIAIGYIOVHHAZ-UHFFFAOYSA-N 379.456 3.985 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2F)cc1C 27746461 POEPBYXWBYOSSG-CYBMUJFWSA-N 385.395 3.989 0 40 GHAB COc1ccccc1NC(=O)CSCC(=O)Nc1cc(Cl)ccc1C 28184026 CYVOFBNBXRTVKS-UHFFFAOYSA-N 378.881 3.967 0 40 GHAB Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3CCc4ccccc43)n[nH]2)s1 31066959 WAWAFUKZSSKEIM-CYBMUJFWSA-N 381.457 3.581 0 40 GHAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)c1ccc2c(c1)OCCO2 32647734 VXJGOAUEGZQVTM-UHFFFAOYSA-N 387.798 3.747 0 40 GHAB CN(C)[C@H](CNC(=O)/C=C/c1ccccc1OC(F)F)c1cccc(F)c1 32730222 DDEIPKWVPOHMNH-SXSDINLZSA-N 378.394 3.859 0 40 GHAB Cc1ccc([C@H](NC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)C2CC2)cc1 32865757 XXJLSJTXGFYOCW-NRFANRHFSA-N 376.456 3.557 0 40 GHAB CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(Cc2cccnc2)CC1 32913671 FWZTVOSLYRBCSW-UHFFFAOYSA-N 391.437 3.971 0 40 GHAB C[C@H]1CCCCN1Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2cccs2)cc1 32937016 PVPLCQFSDIZFKO-JKSUJKDBSA-N 385.533 3.880 0 40 GHAB COc1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3)C2=O)c(OC)c1 33843584 LXLHOEAEKKZXPO-MHWRWJLKSA-N 385.466 3.745 0 40 GHAB Cc1ccc(CN(Cc2cc3ccc(C)cc3n3nnnc23)C(=O)C2CC2)cc1 35313982 BNVRMFXLMIEGSD-UHFFFAOYSA-N 385.471 3.833 0 40 GHAB C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@H](c1ccc(F)cc1)c1cccs1)CS2 36436194 BXYGQPVNWSPSAS-BJZITVGISA-N 390.505 3.547 0 40 GHAB COC(=O)C1CCN(C(=O)c2ccc(OCCSc3ccccc3)cc2)CC1 38772029 FGFMFLMVUZOBBM-UHFFFAOYSA-N 399.512 3.883 0 40 GHAB COc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(N3CCCC3=O)cc2)c1 40034408 AANOESZYJCWSMB-NRFANRHFSA-N 378.472 3.728 0 40 GHAB COc1ccc(O[C@H](C)C(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc1 40039287 UJKKMXBPTUFAKA-AUUYWEPGSA-N 399.516 3.949 0 40 GHAB CC(C)c1nc2cc(NC(=O)CCN3C(=O)c4ccccc4C3=O)ccc2o1 40081682 WPVSLIMXQWVESQ-UHFFFAOYSA-N 377.400 3.576 0 40 GHAB O=C(c1nc(NCCc2ccccc2)ncc1Cl)N1CCc2ccccc21 40128422 HPUJIYMQGLWRCF-UHFFFAOYSA-N 378.863 3.988 0 40 GHAB COc1ccccc1-c1nnc2sc(NC(=O)/C=C/c3ccccc3)nn12 41076537 KCPZQNGIBNEHRT-VAWYXSNFSA-N 377.429 3.513 0 40 GHAB Cc1ccc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cc1S(C)(=O)=O 44506881 FASCOFIXILMRTD-KBXCAEBGSA-N 387.501 3.920 0 40 GHAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44852526 XAJDMVMWLBNLBV-UYAOXDASSA-N 384.495 3.930 0 40 GHAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)cc(OC)c1O 49544419 QEDOVQNFPBCAGM-HNNXBMFYSA-N 379.416 3.778 0 40 GHAB C[C@H](NC(=O)CN1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 54173010 ATKLHBPGIJNDJU-SHUWCMERSA-N 381.564 3.530 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3Cl)n2)cc1C 57427543 ILMYILZNROSOCN-UHFFFAOYSA-N 385.826 3.958 0 40 GHAB C[C@H]1Sc2ccc(C(=O)Nc3ccnn3Cc3ccsc3)cc2NC1=O 58163555 BSVKSEDRPOYSDK-LLVKDONJSA-N 384.486 3.678 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3csc(C)n3)n2)s1 58217182 LVTMVGYZEIXIER-UHFFFAOYSA-N 378.504 3.525 0 40 GHAB CCOC(=O)C1(NC(=O)c2cc3ccc(Br)cc3[nH]2)CCCCC1 58410427 XGQJGMZNUIPCNJ-UHFFFAOYSA-N 393.281 3.926 0 40 GHAB O=C(Nc1ccnc(Sc2ccccn2)c1)[C@H]1CC(c2cccc(F)c2)=NO1 58433685 CGZTWWXEDSXQQM-QGZVFWFLSA-N 394.431 3.899 0 40 GHAB C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC(C)(C)C 60132095 SRVSBFHTBMRVQN-MRVPVSSYSA-N 384.320 3.757 0 40 GHAB O=C(COC(=O)c1cc(Cl)ccc1F)NCc1ccc(C(F)(F)F)cc1 67198264 LKCPQDXQRYBBQV-UHFFFAOYSA-N 389.732 3.971 0 40 GHAB COc1ccc(Oc2cc(C)nc([C@@H]3CCN(C(=O)c4cccnc4)C3)n2)cc1 72383761 MHWHUILVBIDJAQ-QGZVFWFLSA-N 390.443 3.611 0 40 GHAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 79107127 UDFXPFALALUPSA-SFTDATJTSA-N 395.890 3.547 0 40 GHAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 84640734 VDTLVUDIWBGUAO-SFHVURJKSA-N 397.478 3.806 0 40 GHAB COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)cc1 89439065 HERDTRKZKMHKFD-HOJAQTOUSA-N 375.472 3.840 0 40 GHAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(c2ccnc(C3CC3)n2)C1)C1CCCC1 95999564 OPOFDRAGRSLTMD-MRXNPFEDSA-N 380.496 3.590 0 40 GHAB C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(CCOc2ccccc2)CC1 96311007 LCXSIQNRAOCRGF-KRWDZBQOSA-N 396.466 3.633 0 40 GHAB Cc1ncsc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 100155960 JIXAKOSSQBPYQX-OKILXGFUSA-N 383.477 3.600 0 40 GHAB COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)cc1 102075872 YSYYMAATHBZJDC-IEBWSBKVSA-N 391.423 3.760 0 40 GHAB COC(=O)[C@H](C)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123436172 KTYGJLFJXQXPCP-IATGOARESA-N 376.537 3.850 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C)c(C)c3)n2)c1 219522673 KTKGVLQZMVUKSP-INIZCTEOSA-N 395.459 3.788 0 40 GHAB Cc1cccc(N(CCCC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1C 222629165 OTMGVEQSJBYPMM-GOSISDBHSA-N 388.533 3.727 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224227140 XZAQBXWJAYCKKX-ZDUSSCGKSA-N 380.897 3.693 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cccc(Cl)c1 224665179 AQWDVHQIGSARIA-INIZCTEOSA-N 388.895 3.662 0 40 GHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccc(F)cc2)CC1 224888992 OIGPNKYMRUXXME-KRWDZBQOSA-N 382.479 3.821 0 40 GHAB CCC(=O)N(Cc1cccc(OC)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C 225136103 YPVPEAOQFKCMCG-OAQYLSRUSA-N 382.504 3.570 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1 225454422 FIMPYKHFRMARBC-UXHICEINSA-N 396.531 3.748 0 40 GHAB O=C(NCCc1cnc(-c2ccccc2)nc1)c1cccc(Br)c1 225592678 BFODCCIXJBYYQV-UHFFFAOYSA-N 382.261 3.879 0 40 GHAB Cc1cc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)ccc1F 225610802 YLAGQCDTOIOYSB-UHFFFAOYSA-N 395.843 3.658 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC[C@@H]2C)n1 225889024 ZCSMPVUXRXJMRH-INIZCTEOSA-N 390.601 3.931 0 40 GHAB S=C(Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1)NC1CCCC1 226007348 IJRXWPPEJPMUSI-UHFFFAOYSA-N 387.940 3.922 0 40 GHAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)c1csc(-c2ccccc2)n1 244909775 AVAIFXGSNRLBEF-GOSISDBHSA-N 399.541 3.923 0 40 GHAB C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)c2ccc(O)nc2)C1 257298527 RMCPOGCRZJPNQZ-JOCHJYFZSA-N 395.434 3.699 0 40 GHAB CNc1cc([C@H]2CCCN2C(=O)C(O)(c2ccccc2)c2ccccc2)ccn1 257310563 UFQBCMYXJZGJLT-OAQYLSRUSA-N 387.483 3.723 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3ccccc3F)C[C@H]2N1Cc1ccccc1 306130988 JUCZTYJIMVSQHR-FGZHOGPDSA-N 375.447 3.709 0 40 GHAB COc1ccccc1C1(C(=O)NC[C@H](O)c2ccc(-c3ccsc3)o2)CC1 390828574 BFPQBZCFCFLJPL-INIZCTEOSA-N 383.469 3.898 0 40 GHAB COc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1NC(C)=O 408549989 AHSIRWUDDOGVOM-UHFFFAOYSA-N 389.260 3.761 0 40 GHAB COc1cccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 408707172 HQVVZGYCKYMQKP-ZDUSSCGKSA-N 393.270 3.671 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1 408708920 VKAOITMFIHLWHP-LJQANCHMSA-N 380.488 3.878 0 40 GHAB CN1CCC2(CCCN2C(=O)NCc2cccc(COCc3ccco3)c2)CC1 535081398 XKHCYHYOKYIHNJ-UHFFFAOYSA-N 397.519 3.766 0 40 GHAB COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)Nc1ccc(-n2cnnn2)cc1 554048517 WPIFUNWULYOZLC-BEFAXECRSA-N 392.463 3.676 0 40 GHAB Cn1ccc(CCC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)n1 585085837 DDMNAAHKLTTYTH-MRXNPFEDSA-N 384.480 3.809 0 40 GHAB CC(C)C[C@H](O)C(=O)N1CCC[C@@]2(CCCN2Cc2cc(F)ccc2F)CC1 585100376 KMXFBALNFOBJGJ-RBBKRZOGSA-N 394.506 3.719 0 40 GHAB COC(=O)c1ccc(NC(=O)N(CC2CC2)C[C@@H]2CCCN3CCCC[C@H]23)cc1 604406404 YNYAWUICZRYKOA-PZJWPPBQSA-N 399.535 3.982 0 40 GHAB biogenic O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N(Cc1ccccc1)c1ccncc1 622836393 XIQQHXWPHKCBRS-RTWAWAEBSA-N 377.488 3.796 0 40 GHAB c1cncc(CN2CCOCCOc3ccccc3Oc3ncccc3C2)c1 643563771 TXTMFDBWEOZWSJ-UHFFFAOYSA-N 377.444 3.680 0 40 GHAB Cn1nc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)c2c1CCC2 1615122744 AOAZQZMNVZGOOE-HSZRJFAPSA-N 396.510 3.712 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccco1)N1CCCCC1 904488 XGAJQMFOQIGJNM-UHFFFAOYSA-N 396.516 3.615 0 40 GHAB CCOC(=O)CSc1ccc(C)cc1C(O)(C(F)(F)F)C(F)(F)F 1559254 HBUXUVXTDYGZFN-UHFFFAOYSA-N 376.318 3.962 0 40 GHAB CC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)o2)c1 6022736 YGWCNVHCMFPGHW-UHFFFAOYSA-N 383.429 3.582 0 40 GHAB COC(=O)[C@@H](CC(C)C)NC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 6364587 IDDHVDCBBDNDPQ-VQIMIIECSA-N 390.524 3.869 0 40 GHAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc3ccccc23)n1N 6367768 SCPHWYUSRNUZJZ-UHFFFAOYSA-N 389.484 3.851 0 40 GHAB COCc1cc(N2CCN(c3ccccc3F)CC2)nc(-c2ccccc2)n1 1388932 DWKVFDMUBFCNDS-UHFFFAOYSA-N 378.451 3.756 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1C 7683734 OPOKDMISJPTXAU-GOSISDBHSA-N 392.908 3.749 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N(Cc2ccccc2)N[C@H]3c2ccccc2)cc1 100896264 LJNAFHHGVTUUSJ-VABKMULXSA-N 397.478 3.615 0 40 GHAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(C)=O)CC1 100657921 DVYNPFLXOZTBLG-IYBDPMFKSA-N 388.533 3.687 0 40 GHAB CC(=O)c1cccc(OC[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)c1 12629910 ZUIYGHRYTQEMSF-CQSZACIVSA-N 378.350 3.698 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)cc1 12604657 FBZZPXFZDVEIAT-CALCHBBNSA-N 386.517 3.914 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1ccnn1Cc1cccs1 28404773 MYVLOCOYAMMNKF-UHFFFAOYSA-N 392.278 3.773 0 40 GHAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1 48289212 JVYHFPGCPPBARR-UHFFFAOYSA-N 390.848 3.706 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 20112654 ZJVLPVTXIDABCG-KXBFYZLASA-N 392.496 3.556 0 40 GHAB C[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1 12776758 QUQGPYUITPWLSR-AWEZNQCLSA-N 381.501 3.604 0 40 GHAB Cc1ccc([C@@H](C)C(=O)NC[C@H]2CC[C@H](c3n[nH]c4nccnc43)CC2)cc1 100213910 AGUIISVTRGVVBB-NUJGCVRESA-N 377.492 3.855 0 40 GHAB CC(C)n1ncc2cc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)cnc21 11056034 PTNNZBLKDUEVTI-UHFFFAOYSA-N 386.839 3.618 0 40 GHAB CCN1C(=O)[C@H](C(=O)N[C@@H](C)c2ccccc2)[C@@H]2C[C@]1(C)Oc1ccccc12 100632486 IBJXYVQUQVHMFM-XNFXSIFFSA-N 378.472 3.625 0 40 GHAB CN(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 11121669 LIYIORTWBIFIRO-UHFFFAOYSA-N 394.496 3.541 0 40 GHAB CCNC(=O)[C@@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 11412813 PMPPPIMUKPAINA-MRXNPFEDSA-N 391.471 3.582 0 40 GHAB O=C(Nc1cccc(OCC(=O)N2CCCSc3ccccc32)c1)C1CC1 46059724 XGYHTFMTVWQAIZ-UHFFFAOYSA-N 382.485 3.943 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(Cl)c3C)ccc21 64946795 LFRALJDBNLSKMZ-UHFFFAOYSA-N 382.894 3.846 0 40 GHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc(F)c1)S(C)(=O)=O 10434422 ZVQFJQYUUWEZQD-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccc1 3535491 BYCAVUFASCARDL-UHFFFAOYSA-N 383.407 3.974 0 40 GHAB O=C1N/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1Cc1ccc(F)cc1 409012087 JABFQRMXGWNURO-QGOAFFKASA-N 383.423 3.892 0 40 GHAB O=S(=O)(Nc1cccc(OCc2ccc(F)cc2)c1)c1cncc(F)c1 63476587 DMKSXJGTLZWGCX-UHFFFAOYSA-N 376.384 3.740 0 40 GHAB O=C(CSc1ncnc2[nH]ncc12)Nc1cccc(Oc2ccccc2)c1 13687144 JNXQQEHXDWYWKU-UHFFFAOYSA-N 377.429 3.876 0 40 GHAB CCc1ccc(CN(C(=O)/C=C/c2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 5026052 JPLBGMUDJNWXHL-GNNUASRNSA-N 397.540 3.787 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(Cc2ccsc2)CC1 84475283 QZZBQINRPQIDNO-UHFFFAOYSA-N 385.411 3.996 0 40 GHAB NC(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)nc1 65477018 NENCABRMQCHALO-UHFFFAOYSA-N 381.819 3.665 0 40 GHAB CCc1ccc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(OC)c(OC)c2)cc1 5389059 AXPCMCGBBIOFGE-CYBMUJFWSA-N 397.431 3.722 0 40 GHAB CN(Cc1ccc2ccccc2c1)S(=O)(=O)c1ccc2c(c1)OCCCO2 14159134 KHXKWMPXODCGKF-UHFFFAOYSA-N 383.469 3.822 0 40 GHAB O=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCO2 6460983 RHAMYZPCXORSTF-UHFFFAOYSA-N 375.380 3.929 0 40 GHAB COc1ccc([C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1 14200020 KOVKXJUWBIHSPW-NRFANRHFSA-N 395.480 3.618 0 40 GHAB COc1ccccc1-n1c(SCc2nnc(C)o2)nnc1-c1cccs1 6583489 CIAIEDVDHPDOAM-UHFFFAOYSA-N 385.474 3.988 0 40 GHAB CCOC(=O)c1sc2nc([C@H](C)Nc3cccc(OC)c3)[nH]c(=O)c2c1C 6651687 MQFKOXJNAAQKNC-NSHDSACASA-N 387.461 3.651 0 40 GHAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1cccc(OC)c1 5694628 OOIBOSMOHYFKQS-UHFFFAOYSA-N 393.443 3.808 0 40 GHAB O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)[C@@H]1CCCO1 15107394 DPXPUVMIELMDMR-FQEVSTJZSA-N 376.460 3.564 0 40 GHAB COc1ccc(-c2n[nH]c(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)n2)cc1 5903269 KMWUPTSTJBHCSI-NSHDSACASA-N 379.445 3.570 0 40 GHAB COC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 5938881 AVDIWZOSENMFON-KRWDZBQOSA-N 394.456 3.579 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCC(Cc2ccccc2)CC1 5937220 LOYTVZSWAMCJKO-UHFFFAOYSA-N 381.472 3.758 0 40 GHAB Cc1ccsc1CN(C)C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 7081597 VTKZBFFGSHDTFT-UHFFFAOYSA-N 399.545 3.796 0 40 GHAB CNc1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1 7103283 HHXGCYDQGMKGSY-UHFFFAOYSA-N 392.506 3.742 0 40 GHAB CC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 7691127 QGICGSFHFRAYTP-BZUAXINKSA-N 387.553 3.771 0 40 GHAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1C 7736023 NFUQPEFKWHFOSO-UHFFFAOYSA-N 398.484 3.556 0 40 GHAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccccc1Br)c1ccccc1 8088538 GUAGKTWWAAHVET-UGSOOPFHSA-N 389.293 3.894 0 40 GHAB CC1(C)CC(O)CC(C)(C)N1C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 27666050 WVHQPKDRIRFTHH-JNCPLXCYSA-N 379.585 3.594 0 40 GHAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(OC)cc(OC)c3)n2)cc1 8483908 YRNVHUFQOWTTOC-UHFFFAOYSA-N 398.488 3.782 0 40 GHAB COc1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 18155776 MIAXQIOJAYVPSR-CALCHBBNSA-N 379.412 3.594 0 40 GHAB CC1(C)CC(=O)c2ccc(OCC(=O)NCCc3c[nH]c4ccccc34)cc2O1 8765270 PZMZZMCJPYLEPJ-UHFFFAOYSA-N 392.455 3.649 0 40 GHAB biogenic O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1cccnc1 8846036 SFBYCGDKEGYLGX-FQEVSTJZSA-N 384.391 3.639 0 40 GHAB CCC[C@](C)(CO)NC(=O)Nc1ccc(Cl)cc1I 97015334 KSPJXMGEASOOGR-CYBMUJFWSA-N 396.656 3.617 0 40 GHAB CCOc1ccccc1C(=O)N1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1 98211792 OJWDIQYLVWIOPY-UHFFFAOYSA-N 394.450 3.577 0 40 GHAB Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)CCc2c(C)noc2C)cc1 95957278 YWWWQSXNCWGQLG-UHFFFAOYSA-N 383.492 3.578 0 40 GHAB Cc1ccc(-n2ncc(C(=O)N[C@@H]3CCN4CCC[C@@H]4C3)c2C(F)(F)F)cc1 95949523 PTQISPIGQKPSDP-GDBMZVCRSA-N 392.425 3.556 0 40 GHAB O=S1(=O)c2ccccc2[C@@H](NCc2cccnc2)CCN1c1ccccc1 306139202 SSBXFWNVCAQDFF-FQEVSTJZSA-N 379.485 3.512 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1cccc2ccccc12)Nc1ccc(F)cc1 408656408 MESOKQHDRBXWPZ-UHFFFAOYSA-N 394.402 3.880 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3ccsc3)C[C@@H]2N1Cc1ccc(F)cc1 306143105 XTIQFCLEPXALJV-UXHICEINSA-N 381.476 3.770 0 40 GHAB COc1ccccc1CN1CCC[C@H]([C@H]2CN(C(C)=O)Cc3ccccc3O2)C1 72373015 VQOWNOUTBHBUHD-GBXCKJPGSA-N 394.515 3.717 0 40 GHAB COC(=O)COc1ccccc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 409103307 VXLJNDJDVYRBQI-ZSOIEALJSA-N 377.318 3.750 0 40 GHAB O=S(=O)(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cl)cc1 115584312 QWEAKLKHJZGNOT-UHFFFAOYSA-N 384.244 3.522 0 40 GHAB CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 409383963 RMSFGOILPJXTIP-UHFFFAOYSA-N 380.897 3.931 0 40 GHAB C[C@]1(c2ccccc2)CN(C(=O)NCc2c(F)cccc2OC(F)F)CCO1 527235385 ROTOMQXRUUYLRF-HXUWFJFHSA-N 394.393 3.884 0 40 GHAB CC(C)C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O 6874242 ZTYPJSDXXMPVDI-JOCHJYFZSA-N 389.499 3.897 0 40 GHAB biogenic Cc1ccc(N([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)cc1 408548794 VHTMCVOXSZCPGJ-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB Cc1cccnc1Nc1cccc([C@@H]2CCCN(Cc3cn(C)nc3C)C2)n1 72376039 FYESRCLSOIYCKR-GOSISDBHSA-N 376.508 3.950 0 40 GHAB Cc1ccc(C)c2sc(N(C)CC(=O)NCc3nc4ccccc4[nH]3)nc12 70973749 ZIZLDSIJEAHITC-UHFFFAOYSA-N 379.489 3.542 0 40 GHAB O=C(c1cnn2c1CCC2)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 567452841 OGTZZPCYGGSUSK-GOSISDBHSA-N 395.438 3.776 0 40 GHAB CN(CCCC(=O)Nc1cccc2ccccc12)S(=O)(=O)c1ccccc1 219707945 GXNUJHWIWNXTEB-UHFFFAOYSA-N 382.485 3.879 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 219166707 PUCGZJKJSQPQPA-GOSISDBHSA-N 388.533 3.727 0 40 GHAB CCOc1ccc(-c2noc(CN(C)C(=O)Cc3ccccc3Cl)n2)cc1 225443496 VWLILOZWVCQTDR-UHFFFAOYSA-N 385.851 3.990 0 40 GHAB CCn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2ccc3c(c2)C(=O)CCCC3)cn1 569799922 BKFYGWOLAALJDN-PZJWPPBQSA-N 396.491 3.854 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C 224973521 HHNNZAWHEXXYOL-MOPGFXCFSA-N 382.504 3.706 0 40 GHAB O=C(O)c1ccccc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 577499633 DZAANRHTSBMRGN-INIZCTEOSA-N 381.407 3.954 0 40 GHAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225643291 JWRHLAYNAHCWAU-INIZCTEOSA-N 383.517 3.876 0 40 GHAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C 223128135 PFGJVNKXQXTSFZ-KRWDZBQOSA-N 382.460 3.555 0 40 GHAB Cc1ccc2c(Nc3ccc(Cl)cc3)c(C(=O)N3CCOCC3)cnc2n1 49004800 ATMVSJAUKGHGSD-UHFFFAOYSA-N 382.851 3.808 0 40 GHAB CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 225200369 PICVSKVBPVULHT-ZDUSSCGKSA-N 380.897 3.915 0 40 GHAB CC(=O)Nc1ccn2ncc(C(=O)Nc3cccc(-c4csc(C)n4)c3)c2c1 252503749 VGNOWHJKUHAPGK-UHFFFAOYSA-N 391.456 3.977 0 40 GHAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)C[C@H]3CC=CCC3)CC2)nn1C 257233058 GNNXCBYQKMCCHR-ACRUOGEOSA-N 386.584 3.960 0 40 GHAB Cc1cccc(CC(=O)N(C)C[C@H]2CC[C@H](c3cc(CN(C)C)n(C)n3)CC2)c1 257239034 HNQGPSXUCJQALF-XUTJKUGGSA-N 396.579 3.765 0 40 GHAB CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCCN(C(=O)CCCC(=O)O)[C@H]3C[C@@H]21 257200390 ADBRQGXVRREHKH-ROWPZFDLSA-N 387.476 3.550 0 40 GHAB Cn1ccc2ccc(NC(=O)N3CCC(Oc4ccccc4F)CC3)cc2c1=O 640127592 SMKBPZKUSNUMOE-UHFFFAOYSA-N 395.434 3.753 0 40 GHAB O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 664381381 UZLBWGPAJQRKRT-MDZRGWNJSA-N 393.478 3.534 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)ccc1O 6049532 ZDMQZORUEYUTAQ-DIBOFXDBSA-N 390.476 3.961 0 40 GHAB CC(C)(C)c1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3)CC2)nn1 1775965991 OTCYIQAIGCNUBS-UHFFFAOYSA-N 385.483 3.773 0 40 GHAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(CN3CCCC3)cc2)c1 5949445 NWJFDROWXWTWRT-UHFFFAOYSA-N 383.517 3.808 0 40 GHAB CC(C)(C)Nc1c([C@H]2CCCN(C(=O)c3cccnc3)C2)nc2ccccn12 12088127 UOSMQYZGHWGRIB-KRWDZBQOSA-N 377.492 3.960 0 40 GHAB COc1ccc(CN(Cc2ccco2)Cc2cnc(C)n2C)c(OC)c1OC 12147060 BAXWNSHKLSZLFT-UHFFFAOYSA-N 385.464 3.550 0 40 GHAB Cc1ccccc1C1(O)CCN(C(=O)c2ccccc2CN2CCCC2)CC1 12361730 PGEMRXBMKDMZEJ-UHFFFAOYSA-N 378.516 3.715 0 40 GHAB O=C(COc1ccc(Br)cc1)NCCCOc1ccccc1F 12392038 CJEBFFTYPDJBKN-UHFFFAOYSA-N 382.229 3.552 0 40 GHAB O=C(NCCc1cccs1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12739899 SSGJPOBXRLDSFH-UHFFFAOYSA-N 383.439 3.841 0 40 GHAB COc1ccc([C@@H](NC(=O)c2ccccc2OC(F)F)c2nccn2C)cc1 16473967 RDQZGDGGPGAAJN-QGZVFWFLSA-N 387.386 3.550 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3ccc(Cl)nc3)C2)n1 19286840 CWAXFZGSZADGML-KRWDZBQOSA-N 393.878 3.915 0 40 GHAB O=C(c1cc[nH]n1)N1C[C@H](c2ccc(CN3CCCC3)cc2)[C@H]2CCCC[C@H]21 19334079 WJUBTJATGCXGGF-KCZVDYSFSA-N 378.520 3.804 0 40 GHAB COc1ccc(CN2CCc3nc([C@H]4CCCCN4C)ncc3C2)c(C)c1C 19577392 KZBWMDKNYLFCGP-OAQYLSRUSA-N 380.536 3.817 0 40 GHAB COc1ccc(-c2nc(C3CCN(C[C@H]4CC=CCC4)CC3)[nH]c2C(N)=O)cc1 19696988 BQBFSTQNXFKPLV-INIZCTEOSA-N 394.519 3.720 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)NC2CCCC2)cc1 6915609 SVSVUFFUFSUYOG-INIZCTEOSA-N 379.456 3.830 0 40 GHAB FC(F)(F)c1ccc(N2C[C@H]3CN(c4nc5cnccc5s4)C[C@@H]3C2)nc1 1888897635 IEAZHTXIVFCAJW-RYUDHWBXSA-N 391.422 3.678 0 40 GHAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 1889205637 ZPEOZPRJZNZGIQ-XYPWUTKMSA-N 399.438 3.767 0 40 GHAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)NC12CC3CC(CC(C3)C1)C2 240122559 WCWUAPRIMPWQJE-ILCGBQQYSA-N 389.565 3.638 0 40 GHAB CN1CCC(N2CCOCCOc3ccccc3Cc3cccc(c3)C2)CC1 2037901721 BKHHLHYXCATRCP-UHFFFAOYSA-N 380.532 3.583 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 4517862 LBUFTABWVJZBAU-UHFFFAOYSA-N 376.434 3.605 0 40 GHAB O=C(CSc1ccc(-c2ccc(F)cc2)nn1)Nc1ccc2c(c1)OCO2 5108019 BJBPBWQNRVHTFG-UHFFFAOYSA-N 383.404 3.742 0 40 GHAB CSc1cccc2sc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)nc12 10252918 ZAGLKTPWOUPFNU-UHFFFAOYSA-N 392.527 3.603 0 40 GHAB O=C(NCc1cccc2ccccc12)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575614337 ZNLGNJFFOCLEOZ-QGZVFWFLSA-N 382.851 3.646 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccc(C(C)(C)C)cc2)c2ccccc21 4987850 NOWMZDIVVJLPIJ-XMMPIXPASA-N 395.499 3.967 0 40 GHAB O=S(=O)(NCc1cccc(COCc2ccco2)c1)c1ccccc1F 30429433 RNJLMFVVSIAXSG-UHFFFAOYSA-N 375.421 3.614 0 40 GHAB COc1ccc(CCNC(=O)Nc2ccc(Sc3nccn3C)cc2)cc1 40104365 XTAYONNDVLITQD-UHFFFAOYSA-N 382.489 3.944 0 40 GHAB COc1ccc(-c2nn3c(Cc4cc(F)cc(F)c4)nnc3s2)c(OC)c1 20729543 YAXXODPVJMJHIO-UHFFFAOYSA-N 388.399 3.739 0 40 GHAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c1 32859948 MELYNFPFJLRONO-FQEVSTJZSA-N 394.475 3.784 0 40 GHAB C[C@H](c1ccccc1)N(C)C(=O)c1cn(-c2cccc(Br)c2)nn1 32816274 ITLZZBYSCOBLJP-CYBMUJFWSA-N 385.265 3.863 0 40 GHAB CCOc1ccc([C@@H]2CCCN2CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 52584165 ZWNTVOZAMRLSTL-UEUGHCDMSA-N 385.508 3.680 0 40 GHAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc(S(C)(=O)=O)ccc1Cl 32972057 BKLFSUSISZPCDK-SECBINFHSA-N 383.819 3.547 0 40 GHAB Cc1cc(C)n(CCc2nnc(NC(=O)N3CC[C@H]3c3ccccc3)s2)n1 103526051 DQDFJVHYKWNWPI-INIZCTEOSA-N 382.493 3.573 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)no1 779156 NPRUKINLYLBZRN-UHFFFAOYSA-N 391.456 3.962 0 40 GHAB Cc1cccc(C)c1OCC(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 897733 LYCTXMJDOVYBHJ-UHFFFAOYSA-N 383.429 3.568 0 40 GHAB CSc1nnc2c(n1)O[C@]1(Nc3ccccc3-2)C(=O)Nc2ccc(Cl)cc21 3653269 MGSLRGCQQVYLTR-SFHVURJKSA-N 397.847 3.523 0 40 GHAB biogenic O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(CSc2ncn[nH]2)cc1 42851952 BKCWXJRPCYPUJI-KGLIPLIRSA-N 384.427 3.948 0 40 GHAB CCCNC(=S)N(Cc1cc2cc(C)ccc2n2nnnc12)C1CCCC1 4985258 BYGDGCGRQHDUJY-UHFFFAOYSA-N 382.537 3.615 0 40 GHAB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccccc1C(=O)O 6962393 SNWPBVLPWPXNSJ-SRZZPIQSSA-N 379.376 3.542 0 40 GHAB Cc1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)ccc1Br 7708541 ZAMTWQFOJROVRM-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 24911317 NQMAJZAUPLMYNL-MAUKXSAKSA-N 394.471 3.769 0 40 GHAB CCOC(=O)[C@H]1C(=O)n2nc(C)c(-c3ccccc3)c2N[C@H]1c1ccccc1 10385240 QAGWEFWKHKRCBD-MOPGFXCFSA-N 375.428 3.845 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C 8049522 HZDWWBSADRIRCO-UHFFFAOYSA-N 398.503 3.768 0 40 GHAB CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)c1 55903166 VXCPDQDFEAIOPR-KRWDZBQOSA-N 375.787 3.569 0 40 GHAB O=C(COc1ncnc2ccccc12)Nc1ccc2c(c1)OC1(CCCC1)O2 9113684 BIFRDLCOLWPQEF-UHFFFAOYSA-N 377.400 3.689 0 40 GHAB COc1ccc(-n2nnnc2C2(NCc3ccccc3)CCCCC2)cc1OC 35622296 BZGMZJIDSUHJBS-UHFFFAOYSA-N 393.491 3.629 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(C)c2C)cc(OC)c1OC 1993425 TXBWKCCMPCCWDD-MDZDMXLPSA-N 399.443 3.524 0 40 GHAB Cc1ccc(OCC(=O)N2N=C3CC[C@H](C)C[C@H]3[C@]2(O)C(F)(F)F)cc1C 20034268 RVELVPCPWJMFKN-POHZPAGDSA-N 384.398 3.568 0 40 GHAB CC(=O)Nc1cccc(OCC(=O)Nc2ccc(Br)cc2F)c1 103712184 GTMXPLCJCQCKFU-UHFFFAOYSA-N 381.201 3.564 0 40 GHAB O=C(Nc1ccccc1Cn1cccn1)N(Cc1cccnc1)C[C@@H]1CCCO1 48251149 LSLLTRUIVYWSJZ-FQEVSTJZSA-N 391.475 3.540 0 40 GHAB O=c1c2sccc2ncn1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 58168707 GKYIZZRLHQRXPS-UHFFFAOYSA-N 379.228 3.863 0 40 GHAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1O 12752197 FSMZHLNLAHYFDJ-HFTQHKIXSA-N 381.428 3.549 0 40 GHAB CCCCCc1nnc(NC(=O)C23C[C@@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)s1 103469226 VEOVMDRBJCQVQL-XSYNCLLFSA-N 390.553 3.684 0 40 GHAB COc1cc(/C=C/C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc(OC)c1 12781812 ABULHCGHSNJASN-ZZXKWVIFSA-N 384.823 3.590 0 40 GHAB O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1c1ccc[nH]1 84558657 JNTNUCKKDQEQBI-NRFANRHFSA-N 394.496 3.966 0 40 GHAB CCNS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 95215888 LCUGOHIDYAUOSP-UHFFFAOYSA-N 380.775 3.844 0 40 GHAB CC1(C)Cc2c(sc3nc(NCCc4ccccc4)n4ncnc4c23)CO1 2402570 OHPFKSXHWRMYCT-UHFFFAOYSA-N 379.489 3.845 0 40 GHAB O=C(Nc1cc(CSCCO)ccn1)c1cccnc1Nc1cccc(F)c1 95979249 KTHBVRCMTMKFKC-UHFFFAOYSA-N 398.463 3.837 0 40 GHAB O=C(COc1c(Cl)cccc1Cl)Nc1cccc(C(=O)NC2CC2)c1 11763539 BXBGQRCJRPOWHE-UHFFFAOYSA-N 379.243 3.903 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H]3Cc4ccc(C)cc4S3)C2)nc1 46819695 UQONUDWFYFJHCO-HKUYNNGSSA-N 395.528 3.593 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1C 12284527 XIXNYMLXDHIEDG-FPOVZHCZSA-N 393.531 3.831 0 40 GHAB Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 3486732 CZIQLXJTBFYBAS-UHFFFAOYSA-N 390.530 3.510 0 40 GHAB CN(CC(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)Nc1ccccc1Cl 3584633 KTGBPFQGRPVTKG-UHFFFAOYSA-N 399.800 3.868 0 40 GHAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc2ccccc2[nH]c1=O 12932423 JECQFDGDWGDUTF-UHFFFAOYSA-N 390.468 3.990 0 40 GHAB O=C(Nc1nnc(C2CCCCC2)s1)[C@H]1CC(=O)N(Cc2ccccc2)C1 12928703 KDTSLQKASVMIHF-INIZCTEOSA-N 384.505 3.573 0 40 GHAB O=C(NCC1CCCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3612782 AUUJPXWRSSEAKW-UHFFFAOYSA-N 398.528 3.748 0 40 GHAB COC[C@@H](C)NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 13140161 ZCAYGZXFEBLCGS-MRXNPFEDSA-N 383.517 3.522 0 40 GHAB CC(C)CC(=O)O[C@H](COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O 13374931 PNHZJTCUOGKFFD-QGZVFWFLSA-N 388.416 3.647 0 40 GHAB biogenic,in-vitro CCOc1ccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)c(=O)[nH]c2c1 4033961 UGFPQOUHYKRAHS-JOCHJYFZSA-N 389.455 3.933 0 40 GHAB O=C(NCCS(=O)(=O)c1ccccc1)c1c[nH]cc1-c1ccc(Cl)s1 64026290 RNTGUBVWGMMUHF-UHFFFAOYSA-N 394.905 3.600 0 40 GHAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 6057529 SYFXSAGETIAFIK-UHFFFAOYSA-N 382.199 3.576 0 40 GHAB O=C(CSc1nnnn1-c1ccccc1F)Nc1ccc2ccccc2c1 5015380 MJYOQKOZLOKLIR-UHFFFAOYSA-N 379.420 3.685 0 40 GHAB COc1cc(CN(C(=O)[C@H]2Cc3ccccc3O2)C2CC2)ccc1OC(F)F 39995652 SISIELJDCPVEGB-LJQANCHMSA-N 389.398 3.791 0 40 GHAB CCOC(=O)C1=NN[C@@]2(CCc3ccccc3C2=O)[C@H]1c1ccc(Cl)cc1 5277634 NAOJGKOEMKQKQH-UWJYYQICSA-N 382.847 3.514 0 40 GHAB CCN(CC)c1ccc(NC(=O)N[C@H]2CCOc3c(OC)cc(C)cc32)cn1 65578727 QYZKDBVXKAEGFH-KRWDZBQOSA-N 384.480 3.890 0 40 GHAB O=C(NC1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 5443392 GRHKJFPEJJSACQ-UHFFFAOYSA-N 384.929 3.577 0 40 GHAB O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)[C@H]1CC=CC[C@H]1C(=O)O 65975816 RQJARZSAMVURIS-JKSUJKDBSA-N 386.835 3.920 0 40 GHAB CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(C)c1ccccc12 6624035 QKBMDXRZMUJTGE-DEOSSOPVSA-N 387.483 3.819 0 40 GHAB biogenic C[C@H](C(=O)O)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 5898909 OFXIOHNQQYTAGU-VVBXCHJUSA-N 383.425 3.775 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C 7479031 WSCNIFAPCGSSCE-SNVBAGLBSA-N 397.500 3.613 0 40 GHAB Nc1nnnn1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 7602625 CUPDGJWYNJHTCK-UHFFFAOYSA-N 399.669 3.538 0 40 GHAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)C1 16016274 HOIJCTMASZIVPD-CYBMUJFWSA-N 394.443 3.638 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)C1=NN(c2ccccc2)C(=O)CC1 7787219 VIIZQHGHMMJTHZ-UHFFFAOYSA-N 375.881 3.933 0 40 GHAB O=C1Cc2cc(S(=O)(=O)Nc3cccc(/C=C/c4ccccn4)c3)ccc2N1 7907303 JMLCXUPJBAMNOQ-BQYQJAHWSA-N 391.452 3.547 0 40 GHAB C[C@@H](OC(=O)c1ccc2nc(N)sc2c1)C(=O)N[C@@H]1CCCc2ccccc21 7981279 ZORIYBLLIWFLEK-MLGOLLRUSA-N 395.484 3.618 0 40 GHAB COc1cccc(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1 8379216 UXRULFMRQVEYGI-UHFFFAOYSA-N 388.876 3.610 0 40 GHAB CCN1C[C@H](CN(C)Cc2ccc(C(=O)N3CCCC3)cc2)Oc2ccccc21 69897090 JDAPRSSTLIRSBH-NRFANRHFSA-N 393.531 3.642 0 40 GHAB COc1cccc(C(=O)Oc2ccccc2N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 18247101 FACZEUURUWUJOR-CALCHBBNSA-N 379.412 3.594 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 8735042 PAKJRFZGBFZDCW-QFIPXVFZSA-N 388.515 3.553 0 40 GHAB CCc1c(C(=O)Nc2ccc(OC)cc2)nnn1-c1ccc(OC(F)F)cc1 19911297 SAJOXOKSBFOIGC-UHFFFAOYSA-N 388.374 3.692 0 40 GHAB Ic1cccc(OCc2nnc(-c3ccccc3)o2)c1 9690595 FAAXEEMEKYVCHA-UHFFFAOYSA-N 378.169 3.920 0 40 GHAB Cc1c(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)sc2ccccc12 9609990 GPKNHNMKIDGABN-QFIPXVFZSA-N 390.464 3.786 0 40 GHAB Cc1cc(NC(=O)c2cnn(C)c2-n2c(C)ccc2C)ccc1N1CCCC1 84191404 SXRXPDMSGRSXFR-UHFFFAOYSA-N 377.492 3.989 0 40 GHAB Cn1ccnc1COc1ccc(CNC2(c3ccccc3)CCOCC2)cc1 95959701 QSFWZEIGWGDHJN-UHFFFAOYSA-N 377.488 3.795 0 40 GHAB COC(=O)C(C)(C)C(C)(C)NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F 72301352 ZYEPQBKCKFFPGM-NSHDSACASA-N 375.387 3.567 0 40 GHAB Cc1cc(C)c(OCC(=O)N2N=C3[C@H](C)CCC[C@H]3[C@@]2(O)C(F)(F)F)c(C)c1 409179760 NQMSSJSJKABNBS-KPAZRMRSSA-N 398.425 3.876 0 40 GHAB Cc1cc(C(=O)NCc2c(C)nn(C)c2C)c2c(-c3ccc(F)cc3)noc2n1 36613283 MHRLDVMCZQWHEC-UHFFFAOYSA-N 393.422 3.618 0 40 GHAB COc1cc(/C=C/C(=O)Nc2cccc(NC(C)=O)c2C)cc(OC)c1OC 32753996 OQUPFZUJYXAWJV-MDZDMXLPSA-N 384.432 3.631 0 40 GHAB Clc1ccc(-c2cc3c(N4CCN(c5ccccn5)CC4)nccn3n2)cc1 33266338 IKRBRJSVUZUXFX-UHFFFAOYSA-N 390.878 3.771 0 40 GHAB COc1ccccc1Cc1nc2ccccc2n1S(=O)(=O)c1ccccc1 35288761 FEGPVAASJSQPCB-UHFFFAOYSA-N 378.453 3.873 0 40 GHAB Cc1nc2cc(NC(=O)Cn3nc(-c4cccs4)ccc3=O)ccc2s1 56901015 GTMMJDNQXQRBNB-UHFFFAOYSA-N 382.470 3.529 0 40 GHAB COc1ccc(CNC(=O)Cn2cc(-c3ccc(Cl)cc3)c(N(C)C)n2)cc1 62007002 NMVKYOSGOFAAMW-UHFFFAOYSA-N 398.894 3.595 0 40 GHAB CC(C)n1c(SCC(=O)N2CCc3ccccc32)nc2ccsc2c1=O 36358142 LDQHJYAMQLJHAZ-UHFFFAOYSA-N 385.514 3.720 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1Cl 216246546 UBMARLZBAZQSGJ-UHFFFAOYSA-N 378.881 3.884 0 40 GHAB Cn1ccc(C(=O)N2CCC(c3nccnc3Oc3ccc(Cl)cc3)CC2)n1 72362758 ZYLLXHQHKLKBGB-UHFFFAOYSA-N 397.866 3.676 0 40 GHAB N=c1[nH]cncc1-c1noc(-c2ccc(-c3ccccc3OC(F)(F)F)o2)n1 561914582 NPVCGLFQVITXJX-UHFFFAOYSA-N 389.293 3.765 0 40 GHAB CN(Cc1c(C(=O)O)sc2cccc(F)c12)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 566363135 XASHCWXMWQRJTE-HIFRSBDPSA-N 399.509 3.526 0 40 GHAB CCCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1 217452395 AECXOZIVNLJLGP-UHFFFAOYSA-N 382.526 3.988 0 40 GHAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 219318661 VPBVRCPAZSXJBX-UXHICEINSA-N 389.517 3.823 0 40 GHAB CNC(=O)c1cc([C@@H]2CN(CCCc3ccccc3)CCO2)nc2ccccc12 72356139 PMDSKJTUGBUKFZ-QHCPKHFHSA-N 389.499 3.601 0 40 GHAB CSc1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1NC(=O)C(C)C 222711887 POBPHVHFIIJNEP-UHFFFAOYSA-N 392.546 3.790 0 40 GHAB CCCC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NCC(C)C 225710311 SDSLWUAEYPUWFH-CQSZACIVSA-N 383.330 3.739 0 40 GHAB COc1ccc(CNC(=S)Nc2nc(C)cc(N3CCCC[C@@H]3C)n2)cc1 225932172 MEYBYKYBGCEWAU-HNNXBMFYSA-N 385.537 3.659 0 40 GHAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 222902997 RCIDRKQLOVKNKR-CQSZACIVSA-N 376.859 3.923 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)ccc1-n1cccn1 571667654 XIAJJASSZCKMMT-IBGZPJMESA-N 389.503 3.733 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c(C)c1 225475547 BGHQYLIWDWBVOZ-LJQANCHMSA-N 382.504 3.624 0 40 GHAB COc1ccc(OC[C@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225268398 HFMUDGXXPVANHM-HNNXBMFYSA-N 399.516 3.576 0 40 GHAB Cn1nc(C2CCN(Cc3cccc(Cl)c3)CC2)n(-c2ccccc2)c1=O 77100631 GFZKQAMJNDJEJF-UHFFFAOYSA-N 382.895 3.604 0 40 GHAB CC(C)[C@@H](C)NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 225203716 BSJZJSURHPUEHW-OAHLLOKOSA-N 392.496 3.566 0 40 GHAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)c1 224525872 QQBPYIXDTPWZFP-PMACEKPBSA-N 378.501 3.914 0 40 GHAB CC(C)(CNC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)c1cccnc1 576958870 XUOYKPKLDQYTMQ-HKBOAZHASA-N 379.504 3.573 0 40 GHAB COc1ccc(-c2cc(N3CCC(NC(=O)c4ccc(C)cc4)CC3)[nH]n2)cc1 98212750 ZXPJOORZLGNMNK-UHFFFAOYSA-N 390.487 3.793 0 40 GHAB C[C@H](O)CC(C)(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257311762 UKWPWRNIBNXXJV-SFHVURJKSA-N 396.531 3.754 0 40 GHAB Cc1c(C)n(C[C@H](O)CN(C)Cc2ccc(OCCCO)cc2)c2ccccc12 257326099 WVUTXZQDDGBSNA-OAQYLSRUSA-N 396.531 3.512 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N2CCc3ccccc3C2)[C@@H]1c1ccccc1OC 257268573 MMGUUJAFCLRSBJ-OFNKIYASSA-N 392.499 3.580 0 40 GHAB COC(=O)CC[C@@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1ccccc1 609266888 IRKOLADUYPKOBU-LJQANCHMSA-N 390.443 3.645 0 40 GHAB Cc1ccccc1CN1CCOC[C@@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 585104818 ULILCLOYLJCCFZ-RDPSFJRHSA-N 378.516 3.807 0 40 GHAB OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NCc1csc(-c2cccs2)n1 95400272 MGXJUVSGLNHZRG-HKUYNNGSSA-N 399.585 3.844 0 40 GHAB O=C(N[C@H]1CCc2ccccc21)c1ccc(CS(=O)(=O)c2ccccc2)o1 12986716 PHIMEXXZOLDEKB-IBGZPJMESA-N 381.453 3.671 0 40 GHAB COc1ccc(NC(=O)Cc2c(C)c3c(OC)cc(C)cc3oc2=O)cc1OC 13576299 DDKQSWCAOLFORD-UHFFFAOYSA-N 397.427 3.617 0 40 GHAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccccc1C 14291316 RXSSGEJIWQOSJO-UHFFFAOYSA-N 379.445 3.731 0 40 GHAB COc1ccc([C@@H](O)CN2CCc3[nH]c4c(C)cccc4c3C2)cc1NC(C)=O 19236584 NBWMUZACSPDKFR-NRFANRHFSA-N 393.487 3.535 0 40 GHAB Fc1ccccc1-c1ccccc1CN1CCC(c2nnc3n2CCNC3)CC1 19711270 AAIOHJCTBOQPMI-UHFFFAOYSA-N 391.494 3.567 0 40 GHAB COc1ccc2[nH]c(C(=O)NCCc3nc4cc(C)c(C)cc4[nH]3)c(C)c2c1 19714854 VZGFZWHBDZBWTK-UHFFFAOYSA-N 376.460 3.951 0 40 GHAB CCc1ncc(CN2Cc3ccccc3OC3(CCC(CN(C)C)CC3)C2)cn1 12365623 YYJKWJHUKLYYKB-UHFFFAOYSA-N 394.563 3.924 0 40 GHAB O=C(NCCc1cnc2c(Cl)cnn2c1)N1CCCC2(CCCC2)CC1 664974624 DZDZVTJIWUMMFQ-UHFFFAOYSA-N 375.904 3.681 0 40 GHAB CC(=O)O[C@@H]1C=C(C(=O)O)[C@]2(CO)CC[C@H](C)[C@](C)(CCc3ccoc3)[C@@H]2C1 252505835 NRNSOEIINXSQRA-HQKUXIIFSA-N 390.476 3.590 0 40 GHAB biogenic,in-vitro Cc1ncnc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C 1888944411 SAWHGRFYSYOKTP-UHFFFAOYSA-N 386.499 3.641 0 40 GHAB O=C(c1ccc(-c2ccccc2F)o1)N1CCN(CCOc2ccccc2)CC1 23845471 XXWOPTVRGWSREG-UHFFFAOYSA-N 394.446 3.923 0 40 GHAB CCOc1ccc2nc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1 4079288 BSKRJJJQEDQLMY-UHFFFAOYSA-N 395.440 3.601 0 40 GHAB Cc1ccc(-c2ccc(SCC(=O)NCc3ccc4c(c3)OCO4)nn2)cc1 4356038 AAGMALQJZGEALF-UHFFFAOYSA-N 393.468 3.589 0 40 GHAB CCOc1ccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)no3)c2N)cc1 4313500 FYEWIJPWQRLWJJ-UHFFFAOYSA-N 382.811 3.619 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5099586 XKIPDCKFIMCUCL-UHFFFAOYSA-N 388.464 3.624 0 40 GHAB FC(F)(F)c1cccc(N2CC[C@H](Oc3ccncc3Br)C2)n1 1775973985 TXZPULCITBIZOT-JTQLQIEISA-N 388.187 3.916 0 40 GHAB COc1cccc(-c2ccc(C(=O)N3[C@H]4CC[C@H]3CC(S(C)(=O)=O)C4)cc2)c1 101116162 OZYLCFJYBFNANT-OALUTQOASA-N 399.512 3.542 0 40 GHAB CCOc1cccc(-c2noc(CN3C(=O)COc4cc(Cl)ccc43)n2)c1 49002830 ICUQRAWLFVWYOT-UHFFFAOYSA-N 385.807 3.714 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)Cc2csc3ccccc23)cc1 575621009 NFKCOFXZRMEPQP-CYBMUJFWSA-N 388.514 3.769 0 40 GHAB O=S(=O)(NCc1ccc(-c2ccco2)o1)c1ccc(Br)s1 575609857 IQQQCVKGCXGCDP-UHFFFAOYSA-N 388.264 3.842 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 30672919 IXWVWNFZURSQPH-SJORKVTESA-N 398.469 3.717 0 40 GHAB C[C@@H](CO)Nc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 20358493 VKCUQHUMOZHZEM-ZDUSSCGKSA-N 397.548 3.901 0 40 GHAB CS(=O)(=O)c1ccccc1NC(=O)NC1(c2ccc(Cl)cc2)CCC1 51587405 KIBPAKIXSKEQIQ-UHFFFAOYSA-N 378.881 3.944 0 40 GHAB COCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccccc3OC)nc21 20604429 MANRACWQSOAPMB-UHFFFAOYSA-N 393.415 3.714 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)[nH]1 101344868 XIHZFXUSINJCRW-MJVIPROJSA-N 392.912 3.531 0 40 GHAB Cc1ccc(CN(C)C(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)cc1 32744532 ORQHCCQKFYYRNJ-KRWDZBQOSA-N 389.542 3.546 0 40 GHAB O=C1CCCN1c1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 9049279 OIBSFISSZLJWQD-LJQANCHMSA-N 392.455 3.562 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1C(C)C 1364236 TXYSLWMQRHWMEJ-UHFFFAOYSA-N 390.509 3.719 0 40 GHAB COC(=O)C[C@H](c1ccc(OC)cc1)[C@H](CC(=O)OC)c1ccc(OC)cc1 1597039 IGCAIHLXNHWPFM-WOJBJXKFSA-N 386.444 3.697 0 40 GHAB CN(C)c1ccccc1NC(=O)OCCOC(=O)Nc1ccccc1N(C)C 1634157 JZSSTPARSAEDMF-UHFFFAOYSA-N 386.452 3.616 0 40 GHAB Cn1nc(-c2ccccc2Cl)cc1C(=O)N1CCO[C@H](c2ccccc2)C1 79483648 SDCHFULETGGGBK-FQEVSTJZSA-N 381.863 3.954 0 40 GHAB Cc1c(Cl)cccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 3021344 JIJQLMQXAHIDPD-UHFFFAOYSA-N 396.871 3.824 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c(c1=O)S[C@@H](C)C2 4107918 JHUIAMLVGALLHL-JTQLQIEISA-N 395.937 3.684 0 40 GHAB CCCc1nnc(SCC(=O)Nc2ccccc2Cl)n1-n1cccc1 4518464 KAYDEIWSVQLCKY-UHFFFAOYSA-N 375.885 3.728 0 40 GHAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4750258 FUQQTGSXKIQLGT-XDNAFOTISA-N 385.803 3.725 0 40 GHAB CCOc1ccc(-c2csc3nnc(SCC(=O)NC(C)(C)C)n23)cc1 4967217 YNNPJPPIOPOOTR-UHFFFAOYSA-N 390.534 3.863 0 40 GHAB O=C(NCc1ccccc1F)c1cccc(NS(=O)(=O)c2ccccc2)c1 6981696 MFDUJBZJRVDRFL-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB O=C(OCc1nccn1C(F)F)c1cccc(NC(=O)c2cccs2)c1 12538860 SVQYSWGSSPMTTP-UHFFFAOYSA-N 377.372 3.949 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 8071216 RBLFWJKXUGGBKS-UHFFFAOYSA-N 386.517 3.848 0 40 GHAB CCOc1ccc([C@@H]2SC[C@H]3C(=O)N(c4ccc(F)cc4)C(=S)N23)cc1 1443752 XFJXRABDRDDRFV-WMZOPIPTSA-N 388.489 3.972 0 40 GHAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCO[C@H](c2ccc(Cl)cc2)C1 53369441 VIFFKKBZTZZWNG-PBHICJAKSA-N 376.888 3.518 0 40 GHAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc(Cl)c(Cl)c1 12651003 IVAJGMVCFXYQMX-UHFFFAOYSA-N 378.215 3.525 0 40 GHAB O=C(C1CC1)N1CCC(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1 25898257 VNLSZLSIYDCOKS-NRFANRHFSA-N 394.540 3.871 0 40 GHAB C[C@]1(c2cccs2)NC(=O)N(Cc2cccc(OCC(F)(F)F)c2)C1=O 57497602 ZUKSWPCXEKBCAS-MRXNPFEDSA-N 384.379 3.656 0 40 GHAB CN(Cc1nc(-c2ccco2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108339413 PBVAIXKIINJLRL-CZUORRHYSA-N 380.231 3.727 0 40 GHAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1cnn(-c2ccccc2)c1 48286619 PRTRXXBHMZGZCQ-UHFFFAOYSA-N 375.476 3.578 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 27571245 QCOKDFHRSWSQOQ-WIYYLYMNSA-N 393.531 3.777 0 40 GHAB CC1(C)CC[C@H](NC(=O)CCc2nc(-c3ccncc3)no2)c2ccccc21 58225565 JDEYACMSCAQNNU-SFHVURJKSA-N 376.460 3.993 0 40 GHAB COc1cc(OC)c(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1Cl 10788716 QPIKZPLTUFTBJW-UHFFFAOYSA-N 398.242 3.735 0 40 GHAB Cc1ccc(-c2nn(CCC(=O)Nc3cccnc3)c(=O)c3ccccc23)cc1 2369293 ORJXXQPPZUJJOK-UHFFFAOYSA-N 384.439 3.796 0 40 GHAB CN(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)[C@H]1CCCc2ccccc21 29258649 XJJHGGISYOESSO-SFHVURJKSA-N 387.439 3.679 0 40 GHAB Cc1cccc(NC(=O)CN2CCN(c3nc4ccccc4s3)CC2)c1C 59644177 MBMZQGROSFFPAK-UHFFFAOYSA-N 380.517 3.674 0 40 GHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)N2C(=O)CCSC2=N1 2502047 MHHXASFNGATNTF-QGZVFWFLSA-N 376.453 3.675 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 12824793 WZHPKMKGPOBFOJ-PMACEKPBSA-N 390.439 3.759 0 40 GHAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)c3ccccc3)cc2c1 9157961 RSIVTLSXNOUUEI-UHFFFAOYSA-N 385.423 3.779 0 40 GHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1Br 3507016 OJDSOFLLLZSUBJ-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12990426 KEYICCMQFOEFDM-FQEVSTJZSA-N 375.490 3.832 0 40 GHAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(NC(=O)C2CC2)cc1 12937069 VZFPVMHGUVUDIO-UHFFFAOYSA-N 378.350 3.864 0 40 GHAB Cc1nn(CC(=O)Nc2ccc(Cl)c3ncccc23)c(=O)c2ccccc12 13011645 IEVVLFQACTUQIR-UHFFFAOYSA-N 378.819 3.545 0 40 GHAB CN1CCN(Cc2ccccn2)C[C@H]1c1ncn2cc(-c3ccccc3)ccc12 306134818 NYRZQSKEQNLCMT-QHCPKHFHSA-N 383.499 3.885 0 40 GHAB C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2c(c1)OCCO2 6060460 VWPCEUZGNWNIRT-SNVBAGLBSA-N 396.226 3.949 0 40 GHAB CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1CCCC1 5200010 GXBYHRROYRRNNI-UHFFFAOYSA-N 395.569 3.692 0 40 GHAB CCc1ccc(Nc2nnc(SCC(=O)NC(=O)N[C@H](C)CC)s2)cc1 6559257 XLTCJTHAIUWYQZ-LLVKDONJSA-N 393.538 3.561 0 40 GHAB CC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(CC(C)C)c1ccccc12 6624338 VFSWLZXSVSPJGS-XMMPIXPASA-N 387.483 3.819 0 40 GHAB biogenic CCCCN(C)C(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 9476977 FKFXHGRRGBTROI-UHFFFAOYSA-N 381.428 3.803 0 40 GHAB biogenic CCOC(=O)c1ccccc1NC(=S)N1CCN(c2cc(C)ccc2C)CC1 4767835 VYZPQENIJZOTJN-UHFFFAOYSA-N 397.544 3.999 0 40 GHAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)N1CCN(c2ccccc2)CC1 72403400 BLJHEYGGRUOVMK-UHFFFAOYSA-N 380.879 3.703 0 40 GHAB COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(F)c(Cl)c1 4895093 MKRAZNVJMXQQSZ-UHFFFAOYSA-N 392.843 3.799 0 40 GHAB C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)N1CCN(c2ccccc2)CC1 7219810 PQLUMTAEDLWCKN-KRWDZBQOSA-N 398.528 3.677 0 40 GHAB O=C(CSc1nc(-c2cccs2)n[nH]1)c1cccc(N2CCCC2=O)c1 7260028 VCONLGIPXIGFLW-UHFFFAOYSA-N 384.486 3.635 0 40 GHAB COc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c(OC)c1 15654153 AUFJFUADHHYEPN-UHFFFAOYSA-N 383.448 3.586 0 40 GHAB O=C(CCn1c(=O)oc2ccccc21)OCc1csc(-c2ccccc2)n1 7620728 DVMKGVOQXMFYEU-UHFFFAOYSA-N 380.425 3.852 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1ccc(Cl)cc1 7823805 UHYDTVLTOYNAQM-UHFFFAOYSA-N 383.879 3.897 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C 7814231 CAPNRLBNACMVOL-QGZVFWFLSA-N 378.831 3.881 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Cc2ccccc2)ccc1O 83859361 HTXRHFKAQSRSKK-LJQANCHMSA-N 389.451 3.895 0 40 GHAB O=C(CCC(=O)c1ccccc1)NCCC(=O)OCc1c(F)cccc1Cl 16695332 WOKCMZHMAZASFQ-UHFFFAOYSA-N 391.826 3.692 0 40 GHAB NC(=O)c1ccc(OCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 8277870 UDRYAAQGVRVLID-NRFANRHFSA-N 394.858 3.724 0 40 GHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)C1=NN(c2ccccc2)C(=O)CC1 8315306 PCHNZDBSZXBYBA-CQSZACIVSA-N 392.484 3.999 0 40 GHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CCCOc1ccc(Cl)cc1 8429286 YLKFZPWGPCULLZ-OAQYLSRUSA-N 384.863 3.893 0 40 GHAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1ccc(Cl)s1 8473924 RALRIJQEVNGWQN-HNNXBMFYSA-N 377.941 3.571 0 40 GHAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)NC12CC3CC(CC(C3)C1)C2 28903882 DRGSTBNYJGEFIP-UHFFFAOYSA-N 391.515 3.763 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)NCc3cccc(Cl)c3)CC2=O)cc1 408706579 BWASHBKNXWMQLO-MRXNPFEDSA-N 386.879 3.798 0 40 GHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 20112482 OQRXTNNWVCJMLW-INIZCTEOSA-N 382.460 3.727 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@]23C[C@H]2COC3(C)C)cn1 528912613 JZLNLPFYEPHWQX-LHSJRXKWSA-N 383.448 3.880 0 40 GHAB COc1ccccc1-c1nc(-c2cccc(OCC(=O)N3CCCCC3)c2)no1 33327374 VCXVQEMIDLEKBL-UHFFFAOYSA-N 393.443 3.804 0 40 GHAB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)C(O)=NC2=S)cc1 33741597 HMBQOSDCJNRKOH-GZTJUZNOSA-N 396.468 3.938 0 40 GHAB CN1CCN(C(=O)c2cc3c(OC(F)F)cccc3[nH]2)C[C@@H]1Cc1ccccc1 551538227 ZOVSBTQGTQBUIP-INIZCTEOSA-N 399.441 3.768 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 219520503 AEJUKWYDQLAGJT-OXQOHEQNSA-N 389.517 3.742 0 40 GHAB COc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3cscn3)C2)cc1 72362627 MTBYZUVFFXNFSE-CQSZACIVSA-N 396.472 3.754 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(SC(C)C)s1 222982265 DEGUVBUFQFKVLP-UHFFFAOYSA-N 379.916 3.501 0 40 GHAB C[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)OCCO2 222717251 VODPWTMLRGZOHO-MRXNPFEDSA-N 398.478 3.686 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl 222570171 ONAKEGCGFGXEOD-CYBMUJFWSA-N 395.286 3.536 0 40 GHAB O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc(Cl)ccc1Cl 44225768 RSDZJSBLKRXSPF-OLZOCXBDSA-N 387.288 3.730 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 225024483 KAEJONWCMWGJQX-IRXDYDNUSA-N 383.488 3.925 0 40 GHAB O=C(Nc1cccc(OCc2cc(=O)n3ccsc3n2)c1)c1ccccc1 41076611 PVUJAINPCISHKE-UHFFFAOYSA-N 377.425 3.587 0 40 GHAB O=C(COc1cccc(Cl)c1)NCc1nc(-c2ccccc2Cl)no1 222772424 UCLDAYXVEFHHGU-UHFFFAOYSA-N 378.215 3.739 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 222937849 IWRUXCKVPFNRCS-JOCHJYFZSA-N 380.532 3.912 0 40 GHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 222887931 WRTXOIKZYOUVLF-WOJBJXKFSA-N 378.501 3.960 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCOC[C@H](Oc2ccccc2)C1 96269027 MQWCAQMIMYVVEH-QGZVFWFLSA-N 396.365 3.897 0 40 GHAB biogenic,in-vitro COCCc1ccc(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1 584266829 CBACXELCHKIUGT-SAABIXHNSA-N 379.909 3.753 0 40 GHAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCC2CCOCC2)C12CCCC2 96344092 ZOULDLURFKCWEC-NRFANRHFSA-N 398.547 3.882 0 40 GHAB C[C@H](NC(=O)[C@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1)c1nnc2ccccn12 95474319 QOIVZYRJPZBZFV-GJYPPUQNSA-N 390.487 3.622 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 257213622 CIJKRHRYJALARW-DNVFCKCGSA-N 397.494 3.563 0 40 GHAB CCn1cc(CN2CCC[C@@]3(CC=CCN(CCc4ccccc4)C3=O)C2)cn1 257230518 GCSFBPPYOFTEGH-DEOSSOPVSA-N 392.547 3.516 0 40 GHAB COc1cc2c(cc1OC)[C@@H](NC(=O)Cc1csc(-c3ccccn3)n1)CC2 604419637 PTDBQOLPWIKTSQ-INIZCTEOSA-N 395.484 3.569 0 40 GHAB Cc1cc(NC(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)cn2ccnc12 653367641 DXWXVYQROSNFCX-MRXNPFEDSA-N 393.472 3.858 0 40 GHAB O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)Nc1ccccc1F 90504339 RFEGLRBFAUXWAZ-UHFFFAOYSA-N 380.423 3.972 0 40 GHAB O=C(C1CCCCC1)N1CCc2[nH]nc(-c3ccc4c(c3)CCCO4)c2CC1 585110358 JYFPERBLBVOAJD-UHFFFAOYSA-N 379.504 3.909 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)c1ccc(Br)cc1 975791 ZFHDSWMSPXSRQV-RIYZIHGNSA-N 392.230 3.961 0 40 GHAB O=C(NCc1nc(-c2ccncc2)n[nH]1)Nc1ccc(Cl)cc1C(F)(F)F 5001913 IUXAZFSFMGEWRW-UHFFFAOYSA-N 396.760 3.861 0 40 GHAB COc1ccc2nc(N(CCN(C)C)C(=O)CCOc3ccccc3)sc2c1 5115086 VNHCQBGETMXWGK-UHFFFAOYSA-N 399.516 3.669 0 40 GHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCCCCC1)[C@@]1(C2)NC(=O)c2ccccc2N1 12142419 MBKJQAGOJLTKNZ-XXXPQLKYSA-N 381.520 3.767 0 40 GHAB CCn1c(=O)n(CC)c2cc(CN(Cc3ccc(C)s3)C[C@@H](C)O)ccc21 12185884 XLYFEQMMVSBHCI-OAHLLOKOSA-N 387.549 3.596 0 40 GHAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12284679 JXHACHHWWUVFLH-QUCCMNQESA-N 379.504 3.557 0 40 GHAB COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)cc1 12894283 CIIAVFHOSIYKOH-UHFFFAOYSA-N 392.377 3.844 0 40 GHAB CSc1ccc2cc(CNc3ccc(N4CCC(O)CC4)cc3)c(=O)[nH]c2c1 13563038 BKRPJFLTTPUHAA-UHFFFAOYSA-N 395.528 3.823 0 40 GHAB CCCc1ncc(CN(Cc2ccncc2)Cc2ccc3c(c2)OCO3)cn1 13989821 YSLGNCLDVLBJHS-UHFFFAOYSA-N 376.460 3.755 0 40 GHAB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccccc2s1 14091373 SYCBBVBYPDEVSU-UHFFFAOYSA-N 395.513 3.746 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2C(=O)NC2CCCC2)c1C 14424215 VHILWAWYMMBGEN-UHFFFAOYSA-N 397.475 3.733 0 40 GHAB Cc1cc(C)cc(OCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 15220248 BFJRFZUNPSSONO-DYESRHJHSA-N 381.472 3.808 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)c(OC)c1 19078702 HHAAINLAPPXQGR-KBXCAEBGSA-N 399.443 3.564 0 40 GHAB CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)C(C)(C)C)C1 19081120 MBSFBSZAKKSBKV-QHCPKHFHSA-N 397.519 3.627 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)[C@@H]3CCCC[C@H]32)cc1 19082854 QHIHZQMSMBVNSQ-DUYZSDFPSA-N 398.547 3.731 0 40 GHAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)Cc1ccc(C)cc1 19209891 ZDZOALJBNJTYPD-CQOQZXRMSA-N 394.490 3.682 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 19345499 ARCDWAQPVFXBRZ-ZDUSSCGKSA-N 383.429 3.547 0 40 GHAB CCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 19530136 SSJBCOCGAHALTC-VQIMIIECSA-N 396.487 3.712 0 40 GHAB COc1cccc(CNC(=O)CCn2c(-c3ccncc3)cc3cccnc32)c1 19565534 WTGQXKTVEHFQDA-UHFFFAOYSA-N 386.455 3.813 0 40 GHAB Cc1cccn2cc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc12 19718786 RCANXJIZHYGPCK-SFHVURJKSA-N 377.444 3.781 0 40 GHAB CCc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CCOC)CCOCCO2 643573713 KFGBOANUXQHAEO-UHFFFAOYSA-N 397.515 3.614 0 40 GHAB Cc1nc2c(c(N3CCC(NC(=O)Cc4ccccc4Cl)CC3)n1)CCCC2 238852991 JQWGEDZBFBQNMV-UHFFFAOYSA-N 398.938 3.645 0 40 GHAB O=C1C[C@@H](C(=O)N[C@H](Cc2ccsc2)c2nccs2)c2ccccc2N1 12226822 XKUFTKHMSHLGMI-GDBMZVCRSA-N 383.498 3.731 0 40 GHAB COc1ccc(-c2cc3ncnc(N4CCN(C(=O)C(C)C)CC4)c3s2)cc1 15116245 MMQNKMBFWYCJNC-UHFFFAOYSA-N 396.516 3.672 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C1 21471210 OFTJRIDWASEMFB-KRWDZBQOSA-N 389.455 3.712 0 40 GHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(OC[C@H]2CCCO2)cc1 23737420 KXHYPJXMNFZUSW-DHIUTWEWSA-N 394.515 3.811 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3cc(F)cc(F)c3)C2)CN1c1cccc(F)c1 2037977900 WJUULSAIVDHWED-OAQYLSRUSA-N 390.405 3.502 0 40 GHAB Cc1c(Cl)cccc1NS(=O)(=O)c1cc2c3c(c1)[C@H](C)C(=O)N3CCC2 5153973 IHKFYSRVRDXGBR-NSHDSACASA-N 390.892 3.846 0 40 GHAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3ccc(F)cc3s2)cc1 10218492 HHTWXBQNCUZJOF-UHFFFAOYSA-N 392.477 3.936 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)Nc1ccc2c(c1)OCO2 1775966835 FIYYZZFXALTVHG-KRWDZBQOSA-N 382.441 3.999 0 40 GHAB C/C(=C\c1ccccc1)C(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 575414943 SOLGBNVBPLCLAU-APHAIJBRSA-N 387.476 3.617 0 40 GHAB C[C@@H](NC(=O)c1cccs1)C(=O)NCc1cccnc1Oc1cccc(F)c1 40094324 WHIAJBGJSRTVNK-CYBMUJFWSA-N 399.447 3.509 0 40 GHAB O=C(Cc1ccccc1)NCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 31485606 CTIKKBGPJIDJRL-UHFFFAOYSA-N 385.895 3.628 0 40 GHAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccccc3C(F)(F)F)cnc21 32097972 HINASJGUHBKXOM-UHFFFAOYSA-N 384.383 3.832 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 20627664 WZDGOSNOJUUPHM-HOCLYGCPSA-N 388.870 3.970 0 40 GHAB COc1ccc([C@@H](C)NC(=O)CCCn2cnc3c(C)cccc3c2=O)cc1F 32845835 UZWQFUNBSFGOSK-OAHLLOKOSA-N 397.450 3.510 0 40 GHAB CCOc1ccccc1N1CCN(Cc2nc(O)c3ccc(Cl)cc3n2)CC1 21846824 YIKYKKNLTMOFHU-UHFFFAOYSA-N 398.894 3.710 0 40 GHAB COc1ccccc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 102834261 JPKLAPDQNNPNQN-NILVNCKXSA-N 386.883 3.874 0 40 GHAB CS(=O)(=O)Nc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 687823 PMLCKBFIRNPGCI-UHFFFAOYSA-N 394.496 3.901 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(C/C=C/c3ccccc3)CC2)cc1 19367786 CPMRPOUFRFQMGC-AIADIJKESA-N 391.515 3.547 0 40 GHAB CCOc1ccc(NC(=O)Cc2csc(-c3ncccn3)n2)cc1OCC 47210563 LXGIUYSAIQLTJQ-UHFFFAOYSA-N 384.461 3.579 0 40 GHAB S=c1n(-c2ccccc2)cnn1CN1CCN(Cc2ccc(Cl)cc2)CC1 22918113 JRXMEQVAPATNHP-UHFFFAOYSA-N 399.951 3.832 0 40 GHAB Cc1nsc(N2CCN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)n1 79019485 JRPUFADZBJJWJA-UHFFFAOYSA-N 391.500 3.772 0 40 GHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H]1CCOC(C)(C)C1 79474920 AHBKQALKSATZDS-MRXNPFEDSA-N 380.492 3.506 0 40 GHAB Cc1ccccc1-n1cnnc1SCC(=O)NCCc1ccc(Cl)cc1 4501017 GOGUXYSKOYMOSZ-UHFFFAOYSA-N 386.908 3.680 0 40 GHAB O=C(C1CCC1)N(CCc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 4859897 RDBQNORMBUELRI-UHFFFAOYSA-N 395.890 3.948 0 40 GHAB CC(C)CCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 6325737 JIAYPGYKYCZHQW-UHFFFAOYSA-N 394.924 3.698 0 40 GHAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1Cl 6347294 FXWYWVDIPGHGGR-UHFFFAOYSA-N 397.880 3.816 0 40 GHAB O=C(COCc1cc(-c2cccs2)on1)NCCc1c[nH]c2ccccc12 6876581 SUVKRCCEDVTAAJ-UHFFFAOYSA-N 381.457 3.760 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccn3)cc2)cc1C 12521227 HAXVPUXYHGRPPN-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB C/C(N[C@@H](C)c1ccccc1)=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 1274578 XVXPECVKCRYKDB-PAXVZKIFSA-N 383.835 3.548 0 40 GHAB C[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(F)cc1F 24968509 HYMQFYKAZIFCHQ-CQSZACIVSA-N 387.430 3.630 0 40 GHAB CCC(C)(C)n1nnnc1[C@@H](C(C)C)N1CCN(c2cc(C)ccc2C)CC1 57669893 NBDXGTPCGITNHU-HXUWFJFHSA-N 384.572 3.954 0 40 GHAB C[C@@H](CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1ccccc1 25294181 QGXHBXPMROSMDO-JKSUJKDBSA-N 377.448 3.610 0 40 GHAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1F 8308537 UQDCPDYZWPVGHB-LBPRGKRZSA-N 380.847 3.955 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1ccccc1 25297780 KYHMKIAJRGZEOD-HNAYVOBHSA-N 377.448 3.610 0 40 GHAB COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 8754602 FXKIXWTVSYZRMP-UHFFFAOYSA-N 381.407 3.770 0 40 GHAB O=C(CNC(=O)c1cc(Cl)sc1Cl)Nc1ccc(F)c(F)c1F 8935861 DMMYRTDNCNWJLI-UHFFFAOYSA-N 383.178 3.841 0 40 GHAB CC(C)(C)NC(=O)CN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 57688734 FNYKFTCIZWLVJQ-UHFFFAOYSA-N 392.956 3.500 0 40 GHAB O=C(COCc1nc2ccccc2s1)Nc1nc(-c2ccccn2)cs1 8727316 ZCHQPEQXVOZBBB-UHFFFAOYSA-N 382.470 3.970 0 40 GHAB O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccccc1OC(F)F 3251554 QNCRDDZXTRNZHK-UHFFFAOYSA-N 391.157 3.785 0 40 GHAB Cc1cc(C)c(NC(=O)COc2cc(C)nc(N3CCC[C@@H](C)C3)n2)c(C)c1 44168391 XTRAPSRLYQXDSU-CQSZACIVSA-N 382.508 3.964 0 40 GHAB CCOC(=O)c1c(NC(=O)CNc2ccc(C)cc2F)sc(C(C)=O)c1C 12621683 RDRQZUWFVGMUAQ-UHFFFAOYSA-N 392.452 3.934 0 40 GHAB CCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc3cc(OC)ccc3c2)c1 22991895 CQCWJQUSGMLDNR-UHFFFAOYSA-N 398.484 3.540 0 40 GHAB CSc1nc(Sc2nnc(C)s2)cc(Sc2nnc(C)s2)n1 2171506 BUVAKFWHFCNSPP-UHFFFAOYSA-N 386.578 3.821 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 20062769 NBXFYLFIJCAKFG-AWEZNQCLSA-N 392.546 3.762 0 40 GHAB CCCCNC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2349251 KSXWHYSPAORJGB-UHFFFAOYSA-N 391.450 3.884 0 40 GHAB CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(F)cc1 11615405 IRWAQYPRTFVLPD-LJQANCHMSA-N 398.409 3.568 0 40 GHAB COc1ccc(OCCN(C)[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12986862 IGVIPZARQRKNDP-ZDUSSCGKSA-N 387.505 3.682 0 40 GHAB CNC(=O)c1cccc(NC(=O)CSCc2csc(-c3ccco3)n2)c1 13022297 XOWQGADIPMKSFO-UHFFFAOYSA-N 387.486 3.635 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)c1cc(F)ccc1NC(=O)N1CCCC1 49543824 HHDKFICHVJTMRX-UHFFFAOYSA-N 394.450 3.907 0 40 GHAB Fc1ccc(F)c(-c2nnc3sc(-c4cncc(Br)c4)nn23)c1 13691980 DRVXVQKMPPVJEJ-UHFFFAOYSA-N 394.204 3.956 0 40 GHAB CC(C)Oc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22380305 RTVRAZGLEDVMGI-UHFFFAOYSA-N 396.896 3.532 0 40 GHAB COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1OC 5487649 ZNVJDACSHFRSMY-AWEZNQCLSA-N 397.431 3.777 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1C 6886867 PBBFUONBXGPNAH-UHFFFAOYSA-N 383.400 3.580 0 40 GHAB O=C(COc1ccc2oc3ccccc3c2c1)Nc1ccc(-n2cnnn2)cc1 15645174 OIMFVONLHVNVEG-UHFFFAOYSA-N 385.383 3.579 0 40 GHAB CN(CCOc1ccc(Cl)cc1)C(=O)CSc1nnc(-c2ccco2)o1 7328442 MOLNPMFQIYUUDO-UHFFFAOYSA-N 393.852 3.613 0 40 GHAB COc1ccc(OC)c2c1CN(C(=S)Nc1cccc(Cl)c1C)C[C@@H]2O 7463787 YMQJTLXPOAXNEO-HNNXBMFYSA-N 392.908 3.912 0 40 GHAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 7587572 LKPRMJPJQNTKIR-MRXNPFEDSA-N 377.488 3.749 0 40 GHAB COc1ccc(NC(=O)CN(C)C(=O)c2cc3ccccc3cc2OC)cc1 15968605 YVMNLUPIMHYEMS-UHFFFAOYSA-N 378.428 3.568 0 40 GHAB Cc1noc(C)c1CSCC(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 7784154 JZFPSXKXKJQMTI-UHFFFAOYSA-N 377.506 3.853 0 40 GHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nn(C)c(=O)c2ccccc12 7734881 DDNNHFVNUOGUEJ-UHFFFAOYSA-N 376.243 3.513 0 40 GHAB CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccs1 7925116 YHLLWHRYELCZBK-SFHVURJKSA-N 392.546 3.660 0 40 GHAB CCCn1c(=O)n(CC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c2ccccc21 8314146 IWJNVXBXGWQOCK-UHFFFAOYSA-N 392.459 3.800 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 8305407 MOKVBBIURJURTM-LLVKDONJSA-N 392.290 3.858 0 40 GHAB C[C@@H](C(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1)N1C(=O)CCC1=O 84037362 JGBCZLLITUCWGB-LBPRGKRZSA-N 390.361 3.848 0 40 GHAB CCc1cc(=O)n2nc(N(C)[C@@H](C)[C@@H](C)c3ccc(Cl)cc3)sc2n1 72310627 XMTKJGHYMGFZEM-NEPJUHHUSA-N 376.913 3.995 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 95998729 SGLPHJGRADMIGM-SFHVURJKSA-N 380.492 3.867 0 40 GHAB CCCn1c(NC(=O)c2ccc(Cn3ccccc3=O)o2)nc2ccccc21 23746472 ISQYROPJRRYOMI-UHFFFAOYSA-N 376.416 3.502 0 40 GHAB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1)C(=O)c1ccccc1 408640129 ALLOUROEBRJNLD-UYAOXDASSA-N 379.456 3.861 0 40 GHAB CCCC(=O)Nc1cc(-c2nc(-c3ccc(OC)c(OC)c3)cs2)nn1C 35683131 OSEQFBJWYNDWBT-UHFFFAOYSA-N 386.477 3.966 0 40 GHAB O=C(NCC(=O)N1CCCc2ccccc21)c1cnc(-c2ccccc2F)s1 517904088 ZJJASIHFXUIDBB-UHFFFAOYSA-N 395.459 3.658 0 40 GHAB O=C(O)c1sccc1CN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 519705288 HZRPEGAWXKFBCW-CQSZACIVSA-N 387.379 3.918 0 40 GHAB Cc1cc(Br)ccc1NCc1ccc(OCC(N)=O)c(Cl)c1 408610899 OYEFPDILUWEPSX-UHFFFAOYSA-N 383.673 3.887 0 40 GHAB NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 72358390 KHMFNGYMNOTZDX-LJQANCHMSA-N 390.462 3.761 0 40 GHAB COc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1 38753052 KTHWVNJXGVCZDM-LBPRGKRZSA-N 384.295 3.638 0 40 GHAB O=C(CSc1ncccn1)NCC1CCC(c2nc3ccccc3[nH]2)CC1 38671569 YBOXMPJCBYPOIA-UHFFFAOYSA-N 381.505 3.535 0 40 GHAB C[C@@H](C(=O)Nc1cccc2ccccc12)N(c1cccc(F)c1)S(C)(=O)=O 220465558 XPENNFXNDHNMPH-AWEZNQCLSA-N 386.448 3.772 0 40 GHAB CCc1cc(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)ccc1OC 223711356 VBLWNODIUADHQZ-UHFFFAOYSA-N 393.505 3.532 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2OC)cc1Cl 224958139 YBYYNAPOJGISIK-UHFFFAOYSA-N 376.261 3.836 0 40 GHAB CC[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 224303274 IBBXQUXMISUKCG-KRWDZBQOSA-N 382.570 3.871 0 40 GHAB O=C(O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 224715528 RIEKSAMUNCUOIL-UHFFFAOYSA-N 393.770 3.639 0 40 GHAB Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N(C)S(C)(=O)=O 222469498 HRJYZIUAERVMML-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB O=C(NCc1ncoc1-c1ccccc1)N1CC2(CCC2)[C@H]1C1CCOCC1 571316682 HKROCFXDLDVIJI-HXUWFJFHSA-N 381.476 3.832 0 40 GHAB COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1cccc2cccnc12 77200056 QJXVVCFKQJDPEY-IBGZPJMESA-N 379.391 3.678 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1 225719731 ZOGSSVBISUHWDV-NRFANRHFSA-N 382.504 3.706 0 40 GHAB CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1COC(C)C 224719785 KALHXJGKHRZELP-UHFFFAOYSA-N 396.531 3.968 0 40 GHAB COc1ccc(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1OC 44839008 QGXJHTUAIPUHFV-UHFFFAOYSA-N 390.288 3.630 0 40 GHAB CCOc1ccc(CCC(=O)NCCOc2ccccc2OC)cc1OCC 224394415 LKROVYCHGBFBBT-UHFFFAOYSA-N 387.476 3.620 0 40 GHAB CCc1ccc(NC(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1 98211992 UTMKAWNXGBYKGH-UHFFFAOYSA-N 393.413 3.720 0 40 GHAB Cc1cccc(-n2cc(-c3ccnc(NCc4cn5ccsc5n4)n3)cn2)c1 23399786 UTDORNSFBDEMMC-UHFFFAOYSA-N 387.472 3.959 0 40 GHAB Cc1cnc(F)cc1-c1nc(-c2ccccc2NC(=O)c2ccccn2)no1 1615611172 UPXXQTZQJFAVLG-UHFFFAOYSA-N 375.363 3.893 0 40 GHAB C[C@@H]1CCC[C@H](CNC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)[C@@H]1C 1227437664 JSDGYTHFTSZLBJ-KZNAEPCWSA-N 392.588 3.865 0 40 GHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1C(F)(F)F 32721160 IVJFNNVEHSEVOC-OAHLLOKOSA-N 384.423 3.570 0 40 GHAB COC(=O)c1sc(NC(=O)c2ccc(Cn3cccn3)cc2)nc1C(C)(C)C 72309300 SRLNONNCYZDPRD-UHFFFAOYSA-N 398.488 3.724 0 40 GHAB CC(C)(C)OC(=O)N1CCN(CCCNc2nc(C(F)(F)F)cs2)CC1 95966333 XUPQSKBLLWINQA-UHFFFAOYSA-N 394.463 3.517 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 11612819 GISCIRSRHYZMHM-GOSISDBHSA-N 390.480 3.706 0 40 GHAB CC[C@@H](CN1CCCCC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 12239796 KNVUQMXWGKWSAJ-KRWDZBQOSA-N 375.513 3.872 0 40 GHAB CCN1C(=O)[C@]2(NCCc3c2[nH]c2ccccc32)c2cc(Br)ccc21 13635274 UTZHIPKZFXZBJW-FQEVSTJZSA-N 396.288 3.686 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 14492999 UMHNIKRRGUOEID-UHFFFAOYSA-N 387.288 3.561 0 40 GHAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)C[C@@H]3C=CCC3)CC2)C1 19019889 ISVZCYXEBGGCOO-JVIIGWRGSA-N 396.531 3.924 0 40 GHAB COc1ccccc1/C=C/CN1CCC([C@@H](NC(C)=O)c2ccccn2)CC1 19020420 IIGDYEIWXITOIS-ISGGHPHESA-N 379.504 3.693 0 40 GHAB Cc1cnc2c(c1)cc(C(F)(F)F)n2CC(=O)NCCOc1ccccc1 19126596 HSRWGMMFJKFCDZ-UHFFFAOYSA-N 377.366 3.559 0 40 GHAB CCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 19501204 LECWPCPHHRMOAK-DEOSSOPVSA-N 393.531 3.788 0 40 GHAB COC(=O)c1c(C)nc2ccn(-c3ccccn3)c(=O)c2c1-c1cccc(C)c1 19821618 DOLKFVJAHYZCLO-UHFFFAOYSA-N 385.423 3.851 0 40 GHAB Cc1c(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cnn1-c1ccccc1 220728888 BYOTUICVGQHPCL-MRXNPFEDSA-N 391.475 3.536 0 40 GHAB Cc1cc(C)c2cc(CNc3ccc(N4CCC[C@H](O)C4)cc3)c(=O)[nH]c2c1 12088307 NJNKMKCYESIUIY-FQEVSTJZSA-N 377.488 3.718 0 40 GHAB CC1CCN(C(=O)C2CCC3(CC2)CNC(=O)c2cc(Cl)ccc2O3)CC1 19496700 BXAMPSLRWARFJM-UHFFFAOYSA-N 390.911 3.650 0 40 GHAB COCC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]2c2c(C)cccc2C)c1 585094346 MNNNYAXHCIBVTC-HXUWFJFHSA-N 395.503 3.935 0 40 GHAB COc1ccc(/C=C/C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)cc1 3244954 UPHLRCWSZFEBCN-DHZHZOJOSA-N 392.436 3.674 0 40 GHAB aggregator C[C@@H]1CCC[C@H](NC(=O)COc2ncnc3ccc(Br)cc23)[C@@H]1C 5958149 TZRNYRDXGUGTBP-JMSVASOKSA-N 392.297 3.712 0 40 GHAB Cc1ccc(-n2c(S[C@H](C)C(=O)NC3CC3)nc3ccccc3c2=O)cc1C 5993443 RKGXIUGWQJUHEG-OAHLLOKOSA-N 393.512 3.762 0 40 GHAB O=C1N(c2ccccc2)CCCC[C@]12CN(Cc1ccc(F)c(F)c1)CCO2 2037983919 KYDTWXCMIJVCET-QFIPXVFZSA-N 386.442 3.753 0 40 GHAB Cn1ccc2cc([C@H](O)CNC(=O)COc3ccc(Cl)cc3Cl)ccc21 252478483 ANIABIKSHWGGSJ-QGZVFWFLSA-N 393.270 3.714 0 40 GHAB COCCOC(=O)N1CCC([C@H]2CCCCN2Cc2cccc(OC)c2)CC1 2056225306 KAUBZSGGUQDFBL-OAQYLSRUSA-N 390.524 3.545 0 40 GHAB Cn1c(SCn2c(=O)oc3cc(Br)ccc32)nc2ccccc21 1237417 SODZWARTBFVFQD-UHFFFAOYSA-N 390.262 3.994 0 40 GHAB Cc1ccc(SCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 5190727 FCICNSYYMFKUGH-UHFFFAOYSA-N 392.527 3.739 0 40 GHAB O=C(Nc1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CC2)c1c(F)cccc1Cl 13695582 HDPJMXFYGVPAAE-QGZVFWFLSA-N 388.826 3.800 0 40 GHAB COc1ccccc1N1CCN(c2nnc(SCc3ccccn3)s2)CC1 23139951 RQZMTXUCWZVLEN-UHFFFAOYSA-N 399.545 3.561 0 40 GHAB Cn1nc(NC(=O)c2c[nH]c3ccccc23)c2c1NC(=O)C[C@H]2c1cccs1 36705619 YZSGVKBGSHXQQK-LBPRGKRZSA-N 391.456 3.689 0 40 GHAB O=C(Nc1cccc(Br)c1)c1cnc(O[C@H]2CCOC2)c(Cl)c1 253470963 AHKFNAFUIVXTNM-ZDUSSCGKSA-N 397.656 3.918 0 40 GHAB Cc1cc(=O)c(C(=O)N(C)C2CCCC2)nn1-c1ccccc1C(F)(F)F 40013203 QAQYODIOEWTXEZ-UHFFFAOYSA-N 379.382 3.574 0 40 GHAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O 51357723 ODPWCPPRJYCLLK-UHFFFAOYSA-N 399.878 3.646 0 40 GHAB CC(C)(C)c1noc(CCCC(=O)Nc2cc3c(cc2Cl)OCCO3)n1 32582746 VJAUQFFFGUTWRN-UHFFFAOYSA-N 379.844 3.753 0 40 GHAB O=C1/C(=C\Nc2nncs2)c2ccccc2C(=O)N1c1ccccc1Cl 102256377 VDZGEOUWBPTOLL-LCYFTJDESA-N 382.832 3.832 0 40 GHAB Cc1cc(NC(=O)COc2ccc(Cl)cc2C(=O)Nc2ccccc2)on1 32789178 XDWMQTJZKDNWIG-UHFFFAOYSA-N 385.807 3.906 0 40 GHAB CCOc1cc2c(cc1CNC(=O)NCCOc1cccc(C)c1)O[C@H](C)C2 32863391 BBQNPZRKGDAAIZ-MRXNPFEDSA-N 384.476 3.595 0 40 GHAB CCN1CCc2nc(NC(=O)c3ccccc3NC(=O)c3ccco3)sc2C1 32969112 AJXBPLYNPXGKSI-UHFFFAOYSA-N 396.472 3.619 0 40 GHAB COc1ccc2c(O)c(C(=O)N3CCO[C@H](c4ccccc4Cl)C3)cnc2c1 103525707 JYOCWWZRQRLXFX-IBGZPJMESA-N 398.846 3.816 0 40 GHAB CCC(=O)Nc1nnc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)s1 624686 HBUXUWVFGMNZBW-LBPRGKRZSA-N 378.523 3.931 0 40 GHAB CCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1 812019 APQBXFBYPYTTAG-UHFFFAOYSA-N 395.503 3.642 0 40 GHAB COC(=O)c1ccc(Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 955618 DTJSYIQVHXOLNF-UHFFFAOYSA-N 376.437 3.960 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3cnccn3)cc2c1 1359258 NWADEDATXSJARO-UHFFFAOYSA-N 398.466 3.512 0 40 GHAB COC(=O)Cc1c(C)c2ccc(O[C@H](C)C(=O)c3ccccc3)c(C)c2oc1=O 2354167 RMWBPLZGKPDBJQ-OAHLLOKOSA-N 394.423 3.776 0 40 GHAB CCSc1nc(N2CCOCC2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2402982 FGUQDHLITNPGLP-GOSISDBHSA-N 379.551 3.881 0 40 GHAB COc1cc(C(=O)OCCOc2ccc(F)cc2)cc(Br)c1O 2634989 FWKZMLBXICRMHP-UHFFFAOYSA-N 385.185 3.538 0 40 GHAB CC[C@H](Cc1cc(OC)c(C)cc1OC)NC(=S)NC(=O)c1ccccc1 3140367 LGVOXRWWEKSJPK-QGZVFWFLSA-N 386.517 3.638 0 40 GHAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)CNC(=O)c1cc(C)cc(C)c1 3287829 XHARZSPZONGGJJ-KRWDZBQOSA-N 396.487 3.729 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc(F)cc2)o1 3428665 HFGDTWIRSMALNR-LBPRGKRZSA-N 387.436 3.854 0 40 GHAB COc1ccc(CCSc2nnc(-c3ccc(OC(F)F)cc3)n2N)cc1 3545782 AZOBTCRYBCIMJF-UHFFFAOYSA-N 392.431 3.604 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccccc1-c1ccccc1 3592725 IQISDGDTAAUSNQ-UHFFFAOYSA-N 391.471 3.937 0 40 GHAB CCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1-n1cccc1 4518601 HVMNLMAMEMBTFA-UHFFFAOYSA-N 395.410 3.703 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(Cl)cc1NC(C)=O 4602241 LMIQGOXEFNHKAE-UHFFFAOYSA-N 390.244 3.728 0 40 GHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccccc2Cl)n2nnnc2N1 4878931 XIMQMGCIVJEJJD-SFHVURJKSA-N 394.866 3.871 0 40 GHAB Cn1c(C(=O)O[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc2sccc21 4923993 OTMJRDHDDDGJRJ-LJQANCHMSA-N 397.500 3.982 0 40 GHAB aggregator CCOc1ccc(-c2cccc(NC(=O)c3ccc(OC)cc3OC)c2)nn1 4939994 BISSITJHSQWSLF-UHFFFAOYSA-N 379.416 3.812 0 40 GHAB Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1Cl 5438620 JKNSXRMVJJFWQX-UHFFFAOYSA-N 378.881 3.831 0 40 GHAB O=C(CCC(=O)c1ccccc1)Nc1ccc(I)cc1 5704655 LJVCCRHIZCYYGO-UHFFFAOYSA-N 379.197 3.893 0 40 GHAB CCC(CC)NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 5864606 WZSAWHYGAGAOSA-UHFFFAOYSA-N 383.315 3.631 0 40 GHAB CCN(CC)CCC/N=c1/nc[nH]c2c1sc1nc3c(cc12)COC(C)(C)C3 5892150 FQAZKJOOKDNYRH-UHFFFAOYSA-N 399.564 3.657 0 40 GHAB O=C(c1cnn(-c2ccccc2)n1)N1CCC(c2nc3ccccc3s2)CC1 7779249 ZBMWSGDMCZDQBY-UHFFFAOYSA-N 389.484 3.897 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1OCC 8055249 SAQHBKLZELFFLV-INIZCTEOSA-N 377.506 3.784 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccnn3C3CCCC3)n2C)cc1 8075667 BUENKEMKRZRSLZ-UHFFFAOYSA-N 396.520 3.833 0 40 GHAB C[C@H](Sc1nnc(N)s1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 8216744 ITOLIOFXYVRRJH-QMMMGPOBSA-N 387.515 3.939 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C 8493714 JCFFTKAHHPBBFB-CLNPQZTCSA-N 378.516 3.928 0 40 GHAB O=C(CC(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 8647689 XICFEOHYFLQLSQ-UHFFFAOYSA-N 383.407 3.802 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C)c(C)c(C)c2C(N)=O)c1C 8705339 ORLGEDVOZVQYSL-AWEZNQCLSA-N 387.505 3.617 0 40 GHAB CC(C)CNC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1 8852291 FXSCLWGWFAGAHG-UHFFFAOYSA-N 397.953 3.842 0 40 GHAB COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 9483488 BEHTWSQHZJOFBW-QGZVFWFLSA-N 377.444 3.667 0 40 GHAB Cc1cc(C(=O)NCCc2ccc(O)cc2)c(NC(=O)c2ccccc2)s1 9943186 CCWXIGBIGUXQQT-UHFFFAOYSA-N 380.469 3.987 0 40 GHAB COc1cc([C@@H]2CC(=O)c3cnn(-c4ccccc4F)c3C2)cc(OC)c1OC 10156808 RCYRYZSHIFTYOA-ZDUSSCGKSA-N 396.418 3.950 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 10236727 ZFCXZHYJWAMPDL-UHFFFAOYSA-N 395.846 3.761 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O 11693301 HIZBOIZCVXERFR-INIZCTEOSA-N 391.446 3.807 0 40 GHAB Cc1ccc(C)c(NC(=O)C[C@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)c1 12136896 ASLVFGFHMJJCND-GOSISDBHSA-N 396.468 3.579 0 40 GHAB O=C(CCn1c(C(F)(F)F)cc2cccnc21)N1CC[C@@]2(O)CCCC[C@H]2C1 12187227 MZYROFZIEGTTBV-KXBFYZLASA-N 395.425 3.599 0 40 GHAB Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 12293444 PXLLNBNSXKKVJZ-FCHUYYIVSA-N 381.516 3.996 0 40 GHAB COc1cc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc(OC)c1OC 12517601 WNSQGLRZISKYGK-SNVBAGLBSA-N 389.477 3.800 0 40 GHAB Cc1nn2c(nc(N3CCN(Cc4ccncc4)CC3)c3ccccc32)c1Cl 12553352 QYVMJCKKJYEQON-UHFFFAOYSA-N 392.894 3.562 0 40 GHAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCN(c2cccc(Cl)c2)CC1 12635871 TVYORWMBEHMXEO-GOSISDBHSA-N 389.952 3.887 0 40 GHAB O=C(Nc1ncccc1O)c1cc(Br)c(Br)s1 12644996 MDYQRHSNQCGNAP-UHFFFAOYSA-N 378.045 3.626 0 40 GHAB CCOC(=O)c1cc(C(=O)c2ccccc2)n2c(=O)c3ccccc3sc12 12769591 JIJJJAVIPBIWAE-UHFFFAOYSA-N 377.421 3.922 0 40 GHAB Cc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccc(C)cc3)CC2)cc1 12806084 VWTIXEUBGVNUCJ-UHFFFAOYSA-N 378.516 3.905 0 40 GHAB O=C(CSCc1nc(-c2ccccc2)no1)N1CCC(c2ccccc2)=N1 12813462 KTXGLBKKESSPQB-UHFFFAOYSA-N 378.457 3.606 0 40 GHAB C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCC(C(=O)Nc2ccccc2)CC1 12876557 GMAFHRMRKJQPJF-CQSZACIVSA-N 387.430 3.643 0 40 GHAB O=C(c1c(F)cccc1F)N1CCN(C(=O)c2cccc3ccccc23)CC1 12984757 QZGXBFXLKKZZDZ-UHFFFAOYSA-N 380.394 3.716 0 40 GHAB CCOc1cc(C(=O)NCc2ccc(C(=O)O)cc2)cc(OCC)c1OCC 13091803 SNERIEQIYIHJDC-UHFFFAOYSA-N 387.432 3.511 0 40 GHAB COc1cc(C(=O)NCc2nc3ccccc3n2C(C)C)cc(OC)c1OC 13556521 BFDMTQHVRADUFD-UHFFFAOYSA-N 383.448 3.573 0 40 GHAB CCOc1ccc2nc(NC(=O)c3cc4ccc(O)cc4oc3=O)sc2c1 13898949 VTLDGUQWKZOZFO-UHFFFAOYSA-N 382.397 3.759 0 40 GHAB CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(Br)c1 14139707 UYEPKXFTEBBFGN-ZDUSSCGKSA-N 397.294 3.532 0 40 GHAB C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc2c(c1)OCCO2 18109781 JWGLVCYQIJCWJW-CQSZACIVSA-N 396.468 3.984 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)c2cccc(Cn3cccn3)c2)cc1OC 19560289 SKKJUDGJHIPDEI-HXUWFJFHSA-N 391.471 3.926 0 40 GHAB Cc1nc([C@@H]2CCCCN2CC2CC2)nc2c1CCC(=O)N2Cc1ccccn1 19698480 WNBSBEQUEGDEFU-FQEVSTJZSA-N 391.519 3.596 0 40 GHAB COc1cc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc(OC)c1OC 20143274 YHOCZEWLNOEILP-UHFFFAOYSA-N 383.400 3.717 0 40 GHAB CN1CCN(Cc2cccc(C(=O)c3ccc(Br)cc3F)c2)CC1 22028053 IOSIHNHVHWCVIP-UHFFFAOYSA-N 391.284 3.567 0 40 GHAB COc1cc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)c(OC)cc1Cl 22236506 UNJDOFAGNGIFTG-UHFFFAOYSA-N 390.798 3.601 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2sccc2-n2cccc2)cc1 22887792 SLAGHSYRPRDYCL-AWEZNQCLSA-N 382.441 3.925 0 40 GHAB C[C@@H](Sc1ncc2ccccn12)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 24311773 BSUBGFVNGVYTEX-SNVBAGLBSA-N 377.372 3.775 0 40 GHAB O=C(/C=C/c1nc2ccccc2s1)NC[C@@H](c1cccs1)N1CCOCC1 24574641 IJCPMHKEXSKWMD-WAVCKPEOSA-N 399.541 3.561 0 40 GHAB O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(-c2ccccc2)cc1 24635064 DMQCOMYZMWPLNM-UHFFFAOYSA-N 379.485 3.895 0 40 GHAB CC(C)COc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1Cl 30201173 PZMZGVMGGXIFBB-UHFFFAOYSA-N 385.851 3.723 0 40 GHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 32097532 LCYOSGNXORKXDF-UHFFFAOYSA-N 388.445 3.933 0 40 GHAB COc1ccc(S(=O)(=O)NCc2cccc(COCc3ccccc3)c2)cc1 32441992 DSFJFAIFSQQUMA-UHFFFAOYSA-N 397.496 3.891 0 40 GHAB COc1ccc(OCc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)o2)cc1 32611357 CHEQVRDEULBHEO-UHFFFAOYSA-N 386.492 3.906 0 40 GHAB CCn1nnc2cc(C(=O)N3CCC(CCc4ccc(O)cc4)CC3)ccc21 32882785 VAHLSCIMNPTYKH-UHFFFAOYSA-N 378.476 3.642 0 40 GHAB COc1cccc(CNC(=O)CSc2ncnc3c2[nH]c2ccc(C)cc23)c1 33172562 JQLHDELFAUGIRJ-UHFFFAOYSA-N 392.484 3.837 0 40 GHAB Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 36384034 UOUIXTOYOLMRHJ-VDZJLULYSA-N 392.565 3.724 0 40 GHAB O=C(OCc1cc(-c2ccc3c(c2)OCCO3)on1)c1c[nH]c2ccccc12 36662520 UAIIEPANJRDQTH-UHFFFAOYSA-N 376.368 3.951 0 40 GHAB Cc1ccc(C)c2sc(NC(=O)C3CCN(C(=O)N4CCCC4)CC3)nc12 40131071 RBUJUEUTFFRJAW-UHFFFAOYSA-N 386.521 3.779 0 40 GHAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 40143765 XAMFVWDFFOGLPY-OAHLLOKOSA-N 393.487 3.647 0 40 GHAB O=C(O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)cc1 40286887 NLPYDLSOCFAAEJ-GOSISDBHSA-N 396.834 3.941 0 40 GHAB COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(C(C)=O)cn4C)CC3)c2c1 42970397 NTNYXIXZTLTJDY-UHFFFAOYSA-N 377.444 3.647 0 40 GHAB O=C(CCNC(=O)c1ccc(F)cc1Cl)NCCSc1ccccc1 48342439 VZUFEFXJMFPYPR-UHFFFAOYSA-N 380.872 3.508 0 40 GHAB CC(C)c1cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)nn1C(C)(C)C 48362591 LGQJZQKQRHKGBL-OAHLLOKOSA-N 380.496 3.833 0 40 GHAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 48956486 JWFWOFHUUWLERZ-KRWDZBQOSA-N 376.378 3.799 0 40 GHAB O=C(Oc1ccc(N2CCOC2=O)cc1)c1cc(Cl)c2c(c1)OCCCO2 52334530 OHAMVCAOWNWPEN-UHFFFAOYSA-N 389.791 3.677 0 40 GHAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(C[C@@H]1CCCO1)C3 54313277 MNRDOOKPXOEMCL-HNNXBMFYSA-N 393.439 3.800 0 40 GHAB biogenic CC(=O)Nc1cc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)ccc1C 58179619 JFRVHXUUDIJEPL-QGZVFWFLSA-N 375.469 3.682 0 40 GHAB CCOCCO[C@@H](C)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 58357789 WVQIIFVFNJXXDI-LBPRGKRZSA-N 386.279 3.618 0 40 GHAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)c1ccc(F)c(C(F)(F)F)c1 67034443 LGLCSZFMEKBCFX-ZWNOBZJWSA-N 380.341 3.852 0 40 GHAB O=c1c2sccc2n(Cc2cc(F)cc(F)c2)c(=O)n1-c1ccccc1F 67258225 FZXFGGHJKTWWAF-UHFFFAOYSA-N 388.370 3.680 0 40 GHAB Cc1ccccc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2 71327971 YWMMNWSWIOATBM-UHFFFAOYSA-N 375.472 3.925 0 40 GHAB O=C(NCc1ccc(Cl)cc1)c1cc(=O)[nH]c2ccc(Br)cc12 71775372 TXLANFBHKHBMIZ-UHFFFAOYSA-N 391.652 3.874 0 40 GHAB O=C(CC1CCCC1)N1CCCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 71821482 GHYIJJDJHQZIAU-DLBZAZTESA-N 388.474 3.996 0 40 GHAB O=C(CCc1nc(-c2cccc(F)c2)no1)NCc1ccc(F)cc1Cl 72332162 IKDKFENWJSJTDQ-UHFFFAOYSA-N 377.778 3.917 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 72354622 LBQXQRZOFNVYCW-SFHVURJKSA-N 380.398 3.981 0 40 GHAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)c2cccnc2)n1 72354729 WPEDZFSEFISLFV-KRWDZBQOSA-N 379.851 3.752 0 40 GHAB CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(CC[C@@H](C)c1ccccc1)C2 72390851 RZJOEOAPSTZYRM-VGSWGCGISA-N 378.520 3.712 0 40 GHAB Cn1ccc2ccc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc21 72402485 BVUVNEWHLUHIJF-UHFFFAOYSA-N 388.393 3.555 0 40 GHAB CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccn(C)n2)CC1 79494103 CQJURWINJLNHEU-SOAGJPPSSA-N 396.535 3.549 0 40 GHAB Cn1nc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1Br 95441886 KOJRQPVUKONEKR-UHFFFAOYSA-N 395.257 3.626 0 40 GHAB Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)CCc2ccc3ccccc3c2)cn1 95452754 CUCKZBYUXVGXIM-FCHUYYIVSA-N 377.488 3.621 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21 96241945 OJDDQRZRSXYDJF-GOSISDBHSA-N 380.488 3.856 0 40 GHAB COc1cccc([C@@H](CNC(=O)CCc2ccccc2Br)OC)c1 96390138 AJFYGEDLQBCXOF-GOSISDBHSA-N 392.293 3.894 0 40 GHAB COc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1F 98212614 JHDFXJBCESRYDG-UHFFFAOYSA-N 394.450 3.623 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 103718887 ARTLUDBIAKKFKT-CQSZACIVSA-N 385.851 3.598 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220494991 HCFADCOSIWSNGX-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB Cc1ccccc1OCC(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220908592 QDTXJILZPIHIOM-INIZCTEOSA-N 397.500 3.967 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 223223030 ANRUKAWOAYJHGP-SFHVURJKSA-N 376.859 3.575 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1OC 223659516 IGFRSCNUAZQAHH-UHFFFAOYSA-N 377.462 3.608 0 40 GHAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccc(N2CCCC2=O)cc1 224678812 FRUANWCVKUTQCZ-UHFFFAOYSA-N 391.515 3.729 0 40 GHAB Cc1ccccc1O[C@@H](Cc1ccc(I)cc1)C(=O)O 225067396 POSQLXCVAHFHRQ-HNNXBMFYSA-N 382.197 3.674 0 40 GHAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 225452772 DHDVIMZYAJHEEG-QFIPXVFZSA-N 380.532 3.914 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC)c1ccc(C)cc1 225693712 BPIKLZSXOKNMIM-MRXNPFEDSA-N 390.530 3.821 0 40 GHAB S=C(NCc1ccccc1)Nc1nc(Cl)cc(N2CCCCCC2)n1 225929799 WBQJNFYRXVEBLM-UHFFFAOYSA-N 375.929 3.997 0 40 GHAB C[C@H](NC(=S)Nc1nc(N2CCCC2)cc(N2CCCC2)n1)c1ccccc1 225957476 AQTHYAXKRZBSCT-INIZCTEOSA-N 396.564 3.725 0 40 GHAB CC(C)[C@H]1COC(=O)N1c1cncc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 257297782 RITSRVXCAJGXML-MRXNPFEDSA-N 390.484 3.572 0 40 GHAB CC(=O)NCc1cccc(-c2cccnc2C(=O)NCc2ccccc2Cl)c1 257326393 WXBMJRNUOZLOKQ-UHFFFAOYSA-N 393.874 3.968 0 40 GHAB Cc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccccc2)c(C)c1 260895182 IVJGSUBQXUXTNH-GOSISDBHSA-N 388.533 3.659 0 40 GHAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(Br)c1 408619806 HRKDTIWINICJEY-UHFFFAOYSA-N 379.279 3.893 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408649904 LTSXCSVTDFHRQK-HOCLYGCPSA-N 385.847 3.816 0 40 GHAB CN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cc(Cl)ccc1Cl 408714716 WGBJUPNISMVYGZ-UHFFFAOYSA-N 398.271 3.864 0 40 GHAB CC[C@@H](C)OCc1c(I)cnn1CCC(F)(F)F 408715356 AZXBVWDWPJKGPD-MRVPVSSYSA-N 376.160 3.755 0 40 GHAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1ccccc1F 408918108 GFUUQPSYVRQPCK-MHWRWJLKSA-N 387.388 3.768 0 40 GHAB COc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1 408945804 LPPHTVYFODPVEJ-UHFFFAOYSA-N 382.391 3.704 0 40 GHAB Cc1c(NC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)nnn1C 565999424 UXGTVGUGGHEGHN-AWEZNQCLSA-N 397.401 3.526 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585147942 JKSXZBLETWDJOS-QGZVFWFLSA-N 391.876 3.920 0 40 GHAB Cn1ccc(CC(=O)N2CCC[C@]2(c2c[nH]c3ccccc23)C(F)(F)F)n1 622979659 JRFURIWSPKYZMT-SFHVURJKSA-N 376.382 3.524 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)NCc2ccccc2CC(F)(F)F)cc1 626220405 QVUVRRVKJNFWMJ-UHFFFAOYSA-N 379.382 3.815 0 40 GHAB O=C(Cc1cccc(OCC(F)(F)F)c1)N1CC(c2nc3ccccc3[nH]2)C1 676339813 GPIOXYGZPBXCMV-UHFFFAOYSA-N 389.377 3.673 0 40 GHAB C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1nn(-c2ccc(F)cc2)ccc1=O 1617704080 AJXQWVOXTFONRS-GFCCVEGCSA-N 383.810 3.616 0 40 GHAB CCON(CC)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 1632404003 BYJCDWBXVWBCTG-UHFFFAOYSA-N 391.431 3.548 0 40 GHAB COc1cccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)c1OC 1888866345 HJZXAKADUNHFFH-GJZGRUSLSA-N 398.507 3.601 0 40 GHAB COc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)cc1 646425 MGTYUZUHFULLTJ-SFHVURJKSA-N 395.850 3.868 0 40 GHAB COc1cc(OC)cc(C(=O)Oc2c(Br)cc(C=O)cc2OC)c1 1008353 ZZSRCHAMUWKKHW-UHFFFAOYSA-N 395.205 3.507 0 40 GHAB CC(C)N(C(=O)CSc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)C(C)C 1368156 SLTRHIGFCOQXQB-GFCCVEGCSA-N 393.578 3.847 0 40 GHAB Cc1ccc(C)n1-c1nc2nccc(-c3cccc(N4CC(C)(C)C4=O)c3)n2n1 1395099 SBHKVLQJCSLVKE-UHFFFAOYSA-N 386.459 3.572 0 40 GHAB Nn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1F 2376929 ZDRLTAIFNJQDRE-UHFFFAOYSA-N 379.258 3.853 0 40 GHAB C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1ccc2c(c1)OCO2 2622986 BJTOBDCLOKCZNG-GFCCVEGCSA-N 398.440 3.528 0 40 GHAB CCc1ccc(OCn2cc(NS(=O)(=O)c3ccc(Cl)cc3)cn2)cc1 2804839 WAXQFXPBKVJLQT-UHFFFAOYSA-N 391.880 3.936 0 40 GHAB CC(C)(C)NC(=O)COC(=O)c1ccccc1OCc1ccccc1Cl 3282145 QKIOMTUAIRWFRU-UHFFFAOYSA-N 375.852 3.991 0 40 GHAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc2ncsc2c1 3479408 XJMZMRJXGQFXFY-UHFFFAOYSA-N 394.496 3.934 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c(-n2nc3ccccc3n2)c1 3625374 SMAMLHZTZGQJNZ-UHFFFAOYSA-N 376.391 3.886 0 40 GHAB CCCCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccncc1 4161382 XAJXQCDLUCACKR-UHFFFAOYSA-N 381.505 3.549 0 40 GHAB Cc1ccc(N2C(=O)N(c3ccccc3C)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 4393703 MMIUQXPPPICGSU-QZTJIDSGSA-N 390.892 3.569 0 40 GHAB COc1ccc(C(=O)CSc2nccn(-c3cc(C)cc(C)c3)c2=O)cc1 4484285 PVTNIIIEMAIERR-UHFFFAOYSA-N 380.469 3.833 0 40 GHAB COC(=O)c1ccc(Cl)cc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 4539955 KSOZYZNJVALFNJ-WEVVVXLNSA-N 375.808 3.796 0 40 GHAB COC(=O)COc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 4586230 WAJOPLFRGBJZOU-UHFFFAOYSA-N 380.352 3.767 0 40 GHAB biogenic CCOC(=O)C1=C(COc2ccc(F)cc2)NC(=O)N[C@@H]1c1cc(C)ccc1C 4689367 JRCPRGUGVNADEF-HXUWFJFHSA-N 398.434 3.693 0 40 GHAB CC(C)CCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 4734551 UCSILHNTRJXXKW-QHCPKHFHSA-N 389.499 3.886 0 40 GHAB CC(C)CCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 4854978 RDOHRKHBAZXHQP-UHFFFAOYSA-N 375.538 3.712 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2cccc(OC)c2)cc1 5026900 JVOIZWFRNKMGNC-FQEVSTJZSA-N 391.427 3.653 0 40 GHAB COc1cccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@@](O)(C(F)(F)F)C2)c1 5101091 RZGOFRUPVRFFNF-KRWDZBQOSA-N 398.768 3.850 0 40 GHAB CCOc1ccccc1C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 6439869 NYLHJDCDJYGERY-UHFFFAOYSA-N 381.472 3.723 0 40 GHAB CCOc1ccccc1C(=O)NCC(=O)N(C)Cc1cccc(Cl)c1Cl 6509143 JXLDTVKRFLEZOU-UHFFFAOYSA-N 395.286 3.781 0 40 GHAB CCCCN1C(=O)c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2C1=O 6558126 ZLGDTXQSWLAHTA-UHFFFAOYSA-N 380.488 3.781 0 40 GHAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(Nc2ccc(C(C)C)cc2)s1 6821370 WLGGOUOPFWLNSB-NSHDSACASA-N 393.538 3.731 0 40 GHAB CCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1C(=O)O 6963944 CMSFEYMJFHJNTN-UHFFFAOYSA-N 395.455 3.827 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 7062186 GAESKFKQPNCRBF-FQEVSTJZSA-N 386.517 3.992 0 40 GHAB Cc1ccccc1OCCSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 7254143 VIUCRGOTUSIVQW-UHFFFAOYSA-N 392.502 3.558 0 40 GHAB COc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1Br 7419906 DEDVOOUTLKEGNY-ZDUSSCGKSA-N 377.282 3.917 0 40 GHAB COc1cccc([C@@H](CNc2cnn(-c3ccccc3)c(=O)c2Cl)N(C)C)c1 7979747 NFJXIBXWGRFKDF-LJQANCHMSA-N 398.894 3.609 0 40 GHAB CN(Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCCc2ccccc21 8126239 ZPLZHTOGAFNTTN-SFHVURJKSA-N 398.304 3.966 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(NC(=O)c2ccco2)cc1 8341079 DWQBRLBZBYNZCG-GOSISDBHSA-N 393.443 3.692 0 40 GHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(CN(C)C)cc1 8431206 PAKWOKBAPZOHBP-UHFFFAOYSA-N 396.922 3.885 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)CSc1nc2ncc(Cl)cc2[nH]1 8776677 JOYWCIGJHOWXHE-SNVBAGLBSA-N 376.869 3.589 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2cnc3ccccc3n2)C1 9319828 HEGYCXMUDVHSQA-QUCCMNQESA-N 388.515 3.984 0 40 GHAB CCC(CC)C(=O)N1CCN(c2nc(C)cc(Nc3ccc(C)cc3)n2)CC1 9573234 VCCGRAPBCGJINK-UHFFFAOYSA-N 381.524 3.922 0 40 GHAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccccc1F)S(C)(=O)=O 10370919 WKBTUWGXQZHIQD-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB Cc1ccccc1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 11612946 CFAXRVDZCQBYKU-QGZVFWFLSA-N 390.480 3.706 0 40 GHAB COc1ccc(Cn2c(C)c(C)c(S(=O)(=O)c3ccc(F)cc3)c2N)cc1 12372595 ZKBXYIWXBYNYAX-UHFFFAOYSA-N 388.464 3.716 0 40 GHAB CC(C)c1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)s1 12470655 JIQNHJGOVSUYHB-CYBMUJFWSA-N 393.900 3.950 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1 12507379 DTJKQHIBIQYASV-FQEVSTJZSA-N 388.496 3.992 0 40 GHAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cc(-c2ccccc2)[nH]n1 12547434 OLVHKZCOGUBFCT-UHFFFAOYSA-N 388.471 3.633 0 40 GHAB COCCCn1c(=S)[nH]c2cc(C(=O)Nc3ccccc3C)ccc2c1=O 12606719 UCUMJJADUNZVDX-UHFFFAOYSA-N 383.473 3.656 0 40 GHAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)c4ncccc34)CC2=O)c1 12894809 FJNQNKVCONOJSQ-CYBMUJFWSA-N 395.846 3.888 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2Cl)cc1 12896454 AQKNMNKNHHNLGK-AWEZNQCLSA-N 394.924 3.862 0 40 GHAB COc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1OC(F)F 12919223 ZDXKGFWGNJPLNC-UHFFFAOYSA-N 390.386 3.671 0 40 GHAB CCc1sc(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1C 12974969 PRQTXTIGQDWWSJ-UHFFFAOYSA-N 399.560 3.632 0 40 GHAB CCOc1ccccc1-c1nn2c(-c3ccc(OC)c(OC)c3)nnc2s1 13495726 WRCOFMNAJFZACV-UHFFFAOYSA-N 382.445 3.936 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 13644917 MPPRMKQPZPPZQF-ACRUOGEOSA-N 388.398 3.877 0 40 GHAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(C(F)(F)F)cc1 13717368 ACCUROGTFZJFDR-UHFFFAOYSA-N 376.334 3.720 0 40 GHAB Nc1nnc(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)s1 14095682 MADNGVRJSKEZCT-UHFFFAOYSA-N 397.938 3.552 0 40 GHAB COC(=O)c1sccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 15606787 DTUGNFCFWQGTKR-UHFFFAOYSA-N 384.461 3.990 0 40 GHAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OCC(=O)c4ccccc4)cc3)C(=O)[C@@H]2C1 18241145 IBZHGKZJJFODPM-UIAACRFSSA-N 377.440 3.874 0 40 GHAB Cc1cc2c(CN3CCCC[C@@H]3C)c(C(F)(F)F)nc-2n(CC(=O)N(C)C)c1 19124797 RDBKDHUSCUWMNI-AWEZNQCLSA-N 396.457 3.778 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)N1C[C@@H]2CCC[C@H](C1)C2N1CCCCC1 19349616 XLUMFTPZQXWGSY-XEWABKELSA-N 396.984 3.756 0 40 GHAB COc1cccc(-c2cnc(NC[C@@]3(C)CCCO3)nc2-c2nccn2C)c1 19461268 ZJQREJSFTSPZEI-OAQYLSRUSA-N 379.464 3.534 0 40 GHAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(OC)c(Cl)cc1OC 20613074 UHSURKMZILNCGE-UHFFFAOYSA-N 397.880 3.793 0 40 GHAB COc1ccc(-c2nonc2NC(=O)C2=C(c3ccccc3)SCCO2)cc1 20715356 LJJZPYVFQADTHB-UHFFFAOYSA-N 395.440 3.816 0 40 GHAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cnc2ccccc2n1 22020872 RRESRPGBAPMAHK-UHFFFAOYSA-N 382.423 3.812 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 24598048 WIGBMVBAOJWMTN-FQEVSTJZSA-N 396.487 3.572 0 40 GHAB Cc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)n1 24716062 RYWMBXKZUHNJEG-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB COc1cc(OC)c(C2=CCN(c3ncnc4ccccc34)CC2)c(OC)c1 24827160 XZGZUCKGOJJRHN-UHFFFAOYSA-N 377.444 3.949 0 40 GHAB Cc1cccc(OCCC(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)c1C 24856788 AVHYVNLZNJOFCV-NRFANRHFSA-N 381.451 3.851 0 40 GHAB O[C@]1(c2ccc3c(c2)OCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 27525129 XNRYJGGCRCGSGW-NRFANRHFSA-N 385.871 3.719 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccncc2)s1 28221391 DWMAVABKSCJPDF-UHFFFAOYSA-N 381.244 3.924 0 40 GHAB CCOC(=O)c1cc(C)n(CC(=O)Nc2ccc(OC)c(OC(F)F)c2)c1C 29199575 XWUUOZBPYWWKFM-UHFFFAOYSA-N 396.390 3.530 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c(C)cc1Br 32601612 HTPOIGVSLUXDLG-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB CCc1sc(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1C 32914507 WCLQOZYQJYOFNR-CYBMUJFWSA-N 383.477 3.662 0 40 GHAB CN(C(=O)c1ccccn1)C1(C(=O)Nc2ccccc2)C2CC3CC(C2)CC1C3 35170827 FQDFRZBAHDKVMM-UHFFFAOYSA-N 389.499 3.987 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(CC)cc3)ccc21 35588097 QWMMOLCQWHZJSM-UHFFFAOYSA-N 386.561 3.933 0 40 GHAB O=c1cc(-c2ccccc2)c2ccc(OC[C@H](O)CNc3ccccn3)cc2o1 35686225 ANLZPYNLRRMWJL-QGZVFWFLSA-N 388.423 3.707 0 40 GHAB biogenic CCN(C(C)=O)c1nc(CN2CCC[C@@H]2c2ccc(OC)c(OC)c2)cs1 40105458 PPYMQMLIGFCIGZ-QGZVFWFLSA-N 389.521 3.870 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)n1 40141714 KWIFXHCZSKTAOD-ZDUSSCGKSA-N 390.505 3.952 0 40 GHAB COc1cc(OC)c(NC(=O)c2sc(-c3ncccn3)nc2C)cc1Cl 40146540 ZBEGNEDCSVCKPU-UHFFFAOYSA-N 390.852 3.831 0 40 GHAB CC(C)c1ccc(-c2ccc(=O)n(CCC(=O)NCCc3cccs3)n2)cc1 41255252 BJOYJLHGXDOFQJ-UHFFFAOYSA-N 395.528 3.844 0 40 GHAB COc1cccc(-n2c(S[C@@H](C)c3nnc(C)o3)nc3ccccc3c2=O)c1 48186857 MKYCDAGZGRPWFR-LBPRGKRZSA-N 394.456 3.939 0 40 GHAB COC(=O)c1cccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)c1 49004647 GUHVUMADEIXJAP-UHFFFAOYSA-N 390.443 3.704 0 40 GHAB O=C(CN1CCC[C@@H]1Cc1ccccc1)NCC1(c2ccccc2)CCOCC1 52489226 AVFOYKPNVRDHHV-HSZRJFAPSA-N 392.543 3.558 0 40 GHAB CCOC(=O)c1oc2ccccc2c1CN1CCN(c2cccc(OC)c2)CC1 57450586 WPJBDHMIPOVDRM-UHFFFAOYSA-N 394.471 3.940 0 40 GHAB CCN1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 58164008 VQXXHSOTUASZBM-BUHFOSPRSA-N 386.499 3.717 0 40 GHAB O=C(CCCNC(=O)C1CC1)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 58180358 LOYHBUHKDBSOGD-UHFFFAOYSA-N 381.263 3.628 0 40 GHAB CCn1cnnc1-c1cccc(NC(=O)NC[C@H](C)N(C)c2ccccc2)c1 58309737 JONIWBIQZLKIDQ-INIZCTEOSA-N 378.480 3.611 0 40 GHAB Cc1ccc(CNC(=O)CS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1F 59035818 MCOVCKHQYIBDEH-UHFFFAOYSA-N 391.508 3.830 0 40 GHAB COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)c1 59487846 ABIOCCDSAOFWSP-UHFFFAOYSA-N 390.395 3.898 0 40 GHAB Cc1cc(C(=O)Cn2c(NCCO)nc3ccccc32)c(C)n1CCC(C)C 60386188 XPEHSNYQXGQWHC-UHFFFAOYSA-N 382.508 3.788 0 40 GHAB Cc1cc(C(=O)OCc2cc(-c3ccccc3)no2)ccc1N1CCNC1=O 64084590 XDOCZQVXOWDEEN-UHFFFAOYSA-N 377.400 3.537 0 40 GHAB Cc1ccc(CNC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccccc2)CC3=O)cc1 64959106 HDYQTXNGQBZEND-SFHVURJKSA-N 386.451 3.526 0 40 GHAB Cc1ccccc1[C@H]1CCCN1C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 65505987 SOHPQCMYMIBQBL-RDPWEWGOSA-N 384.501 3.743 0 40 GHAB CCc1nc2c(sc3ncccc32)c(=O)n1CC(=O)Nc1ccc(C)cc1C 67246024 GQLICWYZJBWQJM-UHFFFAOYSA-N 392.484 3.824 0 40 GHAB CCc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)c1 67298459 CXGURCWEPVHICD-VWOFGYOZSA-N 392.455 3.842 0 40 GHAB CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 72350578 WVDMIWGDSJMFTE-LJQANCHMSA-N 389.503 3.734 0 40 GHAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2cccnc2)n1 72354728 WPEDZFSEFISLFV-QGZVFWFLSA-N 379.851 3.752 0 40 GHAB CCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC(O)CC4)cc3)cc2c1 72396144 AGGOWOBGGPVYRN-UHFFFAOYSA-N 377.488 3.664 0 40 GHAB Cn1ccc2cc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc21 72402341 HQDFLQQOYZQEMC-UHFFFAOYSA-N 388.393 3.555 0 40 GHAB CC[C@@H](Cc1ccc(C)cc1)N(C)c1ncnc2c1c(Br)nn2C 78903502 SZEUBKSILFUIHT-AWEZNQCLSA-N 388.313 3.892 0 40 GHAB COc1ccc2c(c1)c(C(=O)NC1CCN(Cc3ccccc3)CC1)cn2C 79482485 MICCBCNEPLOAGC-UHFFFAOYSA-N 377.488 3.581 0 40 GHAB Cc1ccc(-c2csc3ncnc(NCC4(C(N)=O)CCOCC4)c23)cc1C 84181055 LAGOCQQWOSBEFJ-UHFFFAOYSA-N 396.516 3.669 0 40 GHAB Cc1c(C(=O)N2CCC(COc3ccccc3)CC2)c(=O)oc2ccc(O)cc12 89568185 JFDFQUHMBGSXOQ-UHFFFAOYSA-N 393.439 3.738 0 40 GHAB NC(=O)Nc1cccc2c1CCCN2C(=O)COc1cc(Cl)ccc1Cl 89774294 CWPMOZUBPWRNAH-UHFFFAOYSA-N 394.258 3.842 0 40 GHAB COc1ccc(Br)c(C(=O)N2CCC(Oc3ccccn3)CC2)c1 90607473 IZWMJJBROCJKQK-UHFFFAOYSA-N 391.265 3.536 0 40 GHAB CN(C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CCCCC1 95349162 PFNINNHQDFHNCZ-UHFFFAOYSA-N 383.458 3.619 0 40 GHAB COc1cccc([C@@H](CNC(=O)c2ccc(C(C)=O)cc2F)N2CCCC2)c1 95464464 FSEIWBXFMNVBPN-OAQYLSRUSA-N 384.451 3.604 0 40 GHAB CC1(C)[C@H](OCc2ccccc2)C[C@H]1OC(=O)c1cccc(-n2cncn2)c1 95467937 STRBKUHSXHMELU-WOJBJXKFSA-N 377.444 3.808 0 40 GHAB O=S(=O)(NCCn1nc(-c2cccs2)cc1C1CC1)c1cccs1 96121617 KEIMAYWXQUWKCX-UHFFFAOYSA-N 379.532 3.529 0 40 GHAB CSCC[C@H](NC(=O)c1cc(-c2ccccn2)n[nH]1)c1nc2ccccc2[nH]1 96231052 GVOIPTMHQLHIGM-INIZCTEOSA-N 392.488 3.572 0 40 GHAB CCn1c(=O)c(C(=O)Nc2nc3ccc(F)cc3s2)c(O)c2ccccc21 100830281 PGVRZKDRPSKPSV-UHFFFAOYSA-N 383.404 3.728 0 40 GHAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1ccco1)Nc1ccc(Cl)cc1 101113968 OPBDXVSNGWXABD-HKOYGPOVSA-N 394.818 3.757 0 40 GHAB C[C@H](OC[C@@H]1CCCCO1)C(=O)O[C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C 106923367 OBBOEUCFYIHYEC-XSLAGTTESA-N 399.528 3.682 0 40 GHAB O=C(Cc1c(F)cccc1Cl)NC[C@](O)(c1ccccc1)C(F)(F)F 171393618 PIPJFPULGXYSGJ-INIZCTEOSA-N 375.749 3.588 0 40 GHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccccc2F)CC1 216408371 JDBBEXLBANFOBV-GOSISDBHSA-N 376.859 3.985 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1nc(-c2cccc(C)c2)no1 219568288 CJUUCOZJTSNFQX-INIZCTEOSA-N 381.432 3.527 0 40 GHAB Cc1ccc(N2CCC(C(=O)Nc3ccccc3C(=O)NC(C)C)CC2)cc1 219854842 XQXAJMXJNRCONL-UHFFFAOYSA-N 379.504 3.988 0 40 GHAB COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)o2)c1 222767177 WDIAEKQENIYZDK-RTBURBONSA-N 393.468 3.731 0 40 GHAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1 223415656 CNDQLYOZLFZOCE-LEWJYISDSA-N 392.528 3.910 0 40 GHAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 223551723 UKFUFQYVTKOARJ-FQEVSTJZSA-N 380.532 3.914 0 40 GHAB CCN1CCN(C(=O)c2ccc(OC)c(COc3ccccc3Cl)c2)CC1 224138960 ZEPSTPFAUIIILO-UHFFFAOYSA-N 388.895 3.705 0 40 GHAB CCOC(=O)c1cc(NC(=S)NCc2ccc3c(c2)OCO3)ccc1Cl 225377335 XJHCPHURMBIJBN-UHFFFAOYSA-N 392.864 3.732 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN(C2CCOCC2)CC1 225563592 XFALLUVADDJHLQ-UHFFFAOYSA-N 394.943 3.505 0 40 GHAB O=C(NCCc1cnc(-c2ccccc2)nc1)C1(c2ccccc2)CCOCC1 225592766 KEORSVIGNFTXGJ-UHFFFAOYSA-N 387.483 3.551 0 40 GHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(-n2ccnc2)cc1 225605043 FKUDXQWQIYQPFS-QGZVFWFLSA-N 375.472 3.835 0 40 GHAB COc1ccc2ccccc2c1CCC(=O)NC[C@H]1CCCN1c1ccccn1 225629995 MJDMHHCXWSMKKZ-LJQANCHMSA-N 389.499 3.961 0 40 GHAB CCCC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NCC(C)C 225727675 VSZQJAZVXBCNGC-CQSZACIVSA-N 383.330 3.739 0 40 GHAB CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 226258560 PBUZLVVPHIBXNZ-UHFFFAOYSA-N 380.536 3.961 0 40 GHAB Nc1nc2c(Br)cc(NC(=O)COc3ccccc3)cc2s1 226312176 SSMPHWGULLACET-UHFFFAOYSA-N 378.251 3.659 0 40 GHAB C[C@H](CC(=O)O)[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 253610270 KFMBVCVREUOCAU-PWEKDIOGSA-N 376.537 3.864 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)cn1 257240858 HVMCSBCWHARIFG-SFHVURJKSA-N 381.407 3.785 0 40 GHAB CCn1cc(CN2CCO[C@H](c3cccc(Nc4nc(C)cs4)n3)C2)c(C)n1 257268630 MMNALPYPGURIEI-SFHVURJKSA-N 398.536 3.688 0 40 GHAB Cc1nc2cc([C@H]3CCCN3C(C)C)nn2c(C)c1CCC(=O)NC1CCCC1 257280306 OKIQTRPSKWQHTE-OAQYLSRUSA-N 397.567 3.883 0 40 GHAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1C 260928666 KGQQHPLPJCSWIS-ROUUACIJSA-N 388.533 3.644 0 40 GHAB Cc1ccccc1CC(=O)N1CC[C@@]2(C1)CN(Cc1cccnc1)c1cccnc12 306134755 NXLGZLVJZVSNPR-RUZDIDTESA-N 398.510 3.518 0 40 GHAB Cc1ccc(CN2C[C@H]3[C@@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)s1 306136023 PGWWMKSKCKFEBC-LEWJYISDSA-N 377.513 3.940 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc1Cl 408601373 GDGUQLGQIWHMGU-UHFFFAOYSA-N 396.896 3.596 0 40 GHAB CSc1nc(N2CCCC2)c2cc(C(=O)NCCc3ccccc3)sc2n1 408617099 BPZNMSNLMUYXRO-UHFFFAOYSA-N 398.557 3.986 0 40 GHAB CC(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2)cc1 408708125 UWVQLHBKYVOYIA-UHFFFAOYSA-N 375.266 3.827 0 40 GHAB COc1cccc(CN2CCC3(CC2)C[C@@H](CN2CCC(F)(F)CC2)O3)c1 503718364 SACVEJNWNPIMON-IBGZPJMESA-N 380.479 3.550 0 40 GHAB CCCCCN(CCO)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 535250478 FEYPHCSWKQCLJN-UHFFFAOYSA-N 381.476 3.538 0 40 GHAB CC(C)c1noc(C2(NC(=O)c3cccc(OC(F)(F)F)c3)CCOCC2)n1 585114047 ZRTYQXMYETZSEK-UHFFFAOYSA-N 399.369 3.527 0 40 GHAB C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccnc(-c2cccc(Br)c2)n1 585138307 CWRROSGIRWOXOP-ABAIWWIYSA-N 388.265 3.850 0 40 GHAB Cc1nn(C)c2sc(C(=O)N[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)cc12 628571138 OJTSYQFUCLJEHR-IUODEOHRSA-N 395.406 3.608 0 40 GHAB O=S(=O)(NCc1ccnc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 1260316840 HTZSJFLXHYNSJM-UHFFFAOYSA-N 385.194 3.886 0 40 GHAB Cc1ccc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cc1C 1615158245 QWGGZSCKUGAKDZ-HSZRJFAPSA-N 382.479 3.841 0 40 GHAB CCOc1ccc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cc1 1615159028 UUDLHOUDLIUNJI-HSZRJFAPSA-N 398.478 3.622 0 40 GHAB Cn1cc(-c2ccc(CCNC(=O)c3ccccc3Br)s2)cn1 1889208394 CIZVIYXESKDIHT-UHFFFAOYSA-N 390.306 3.884 0 40 GHAB O=C1OC(c2ccccc2)=N/C1=C/c1cccc(I)c1 1229049 GDZUIZXDQFYVDF-GXDHUFHOSA-N 375.165 3.636 0 40 GHAB CCCn1c(N2CCN(CC(=O)c3ccc(F)cc3)CC2)nc2ccccc21 1370945 HHRAHQITYVRHQE-UHFFFAOYSA-N 380.467 3.590 0 40 GHAB CC(=O)N(Cc1ccc(Cl)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1378110 UWNKRYOQARKXIX-UHFFFAOYSA-N 398.846 3.501 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)cc1 1381662 IFDZKIINBMKGEM-UHFFFAOYSA-N 394.522 3.652 0 40 GHAB CCCn1cnc2c(SCc3ccc(Br)cc3)nc(N)nc21 1682632 LCNFTOSCRWFXDX-UHFFFAOYSA-N 378.299 3.873 0 40 GHAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1cccc(Cl)c1Cl 1960704 BBKJJAMXBCADNQ-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB Cc1cc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n(-c2ccccc2)n1 3234403 ZDQHFSUPDAPVPY-UHFFFAOYSA-N 389.411 3.613 0 40 GHAB biogenic O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)N1CCCc2ccccc21 3247910 BCHJHJPSFWBSHF-UHFFFAOYSA-N 385.847 3.826 0 40 GHAB CCCn1c(-c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 3282747 WZIDSTFLFRMKEK-UHFFFAOYSA-N 394.862 3.665 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 3565999 XNDZGGNKZNVRMW-UHFFFAOYSA-N 392.337 3.556 0 40 GHAB CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OC(=O)c1ccc(C)cc1 3853100 OCWVXCZOJDKFEF-BOPFTXTBSA-N 382.441 3.752 0 40 GHAB CCN1CCc2c(sc(NC(=O)Cc3cccc4ccccc34)c2C(N)=O)C1 4087184 ICSCMMKENQBZDT-UHFFFAOYSA-N 393.512 3.559 0 40 GHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1ccccc1Br 4468966 SINSWCSOAYPOAU-LJQANCHMSA-N 385.261 3.733 0 40 GHAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1cc2c(cc1Br)OCO2 4578039 QLFYABPNPYXYBT-ACAGNQJTSA-N 390.164 3.661 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)no1 4937586 ISMMKJHYFUJNTK-VIFPVBQESA-N 390.490 3.950 0 40 GHAB CC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 4976987 OJMVRNRZFNIRKD-OAHLLOKOSA-N 394.924 3.758 0 40 GHAB COc1cc(=O)[nH]c(S[C@@H](C)C(=O)N(c2ccccc2)c2ccccc2)n1 4999485 KSQYFKNKDXYDHD-AWEZNQCLSA-N 381.457 3.624 0 40 GHAB Cc1nc(-c2cccc(F)c2)sc1CCNS(=O)(=O)c1cccc(F)c1 5137238 VVCUOBXASOCFAN-UHFFFAOYSA-N 394.468 3.918 0 40 GHAB COc1cc(CNC(=O)COc2ccc3ccccc3c2)cc(OC)c1OC 5357434 GPQQLCVVVIOWJG-UHFFFAOYSA-N 381.428 3.561 0 40 GHAB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1cccc(Br)c1 5615798 UETDDMYDEVCNFE-UHFFFAOYSA-N 398.640 3.663 0 40 GHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1csc2c1CCCC2 5968494 JWAZFTPGLXNORO-UHFFFAOYSA-N 398.484 3.548 0 40 GHAB CCc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1 6354061 ISLWYUTULPVIFL-UHFFFAOYSA-N 379.504 3.806 0 40 GHAB Cc1ccc(Cn2c(SCc3ccccc3F)nc3nccnc3c2=O)cc1 6818699 QAOICPLJZUWWJH-UHFFFAOYSA-N 392.459 3.975 0 40 GHAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Cl)c(Cl)c1 7127442 KTSCGBVETYCVGY-UHFFFAOYSA-N 384.263 3.577 0 40 GHAB COc1cc(C(=O)NCCc2ccccc2F)cc(OC)c1Br 7241317 BJEHJFLWLSYMFL-UHFFFAOYSA-N 382.229 3.578 0 40 GHAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc2c1C 7735431 XYANJHMPDYJIFO-ZDUSSCGKSA-N 380.400 3.697 0 40 GHAB CCc1ccccc1N1C[C@@H](C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)CC1=O 7737067 YVIBGPNTAACVID-CJNGLKHVSA-N 382.426 3.791 0 40 GHAB O=C([C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)c2ccccc2O1)N1CCCCC1 7825307 PMNSKDOQNIZGPG-FQEVSTJZSA-N 398.890 3.689 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 7882369 SECVRNQBOMYDCP-LLVKDONJSA-N 379.243 3.994 0 40 GHAB Cc1cc(C)n(CCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)n1 7988510 LOEFUVHEOMWNGI-UHFFFAOYSA-N 382.489 3.634 0 40 GHAB CCCCn1c(SCC(=O)Nc2ccnn2C(C)C)nc2ccccc2c1=O 8195061 HOHPOACQRIBYFZ-UHFFFAOYSA-N 399.520 3.705 0 40 GHAB O=C([C@H](Sc1nnnn1Cc1cccs1)c1ccccc1)N1CCCCC1 8230029 QXJMWPLTAMNXAQ-QGZVFWFLSA-N 399.545 3.629 0 40 GHAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(CN2CCCC2=O)cc1 8343178 BZQJAYPJUGPCGT-UHFFFAOYSA-N 391.515 3.681 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)c1 8473292 WKKYFEOCNABBNN-MJGOQNOKSA-N 390.439 3.793 0 40 GHAB O=C(COc1ccc(Cl)cc1Br)NCc1nc2ccccc2[nH]1 8746663 UOISEZDZCZEJHA-UHFFFAOYSA-N 394.656 3.674 0 40 GHAB CCc1ccc(OCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)cc1 8916072 JOEKOKZVQOSUFX-QHCPKHFHSA-N 396.531 3.980 0 40 GHAB CCOc1cccc2cc([C@H](C)NC(=O)CNC(=O)c3ccc(C)cc3)oc12 9254528 AXXQOMQYSQAWAM-HNNXBMFYSA-N 380.444 3.747 0 40 GHAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Oc1ccc(C)cc1)C2=O 9646915 CSEIYWKRBPURIB-UHFFFAOYSA-N 386.492 3.817 0 40 GHAB CN1C(=O)[C@@]2(OCc3ccccc3N2C(=O)NC2CCCCC2)c2ccccc21 10157783 ZWZGQWHKVMYDLK-QHCPKHFHSA-N 391.471 3.895 0 40 GHAB CC(=O)Nc1ccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 10770395 UZGICOQYEXPYSB-UHFFFAOYSA-N 394.471 3.658 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1cccc(NC(=O)c2ccco2)c1 11201804 ZXAACLFHBMMOCV-UHFFFAOYSA-N 387.395 3.597 0 40 GHAB CCn1c(N2CCC(C(=O)Nc3ccccc3OC)CC2)nc2ccccc21 12116371 UFUUKEWCAHBFJV-UHFFFAOYSA-N 378.476 3.920 0 40 GHAB Fc1ccc(-c2nc(NCCCN3CCCCC3)ncc2-c2ncc[nH]2)cc1 12221819 MFWNJPKYTPUQLY-UHFFFAOYSA-N 380.471 3.961 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)Nc2cccc3c2CCCC3)cc1 12562199 UVBAIRULBJDCAG-QGZVFWFLSA-N 379.504 3.771 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc2c(Cl)cccc2[nH]1 12773652 TVGITFKWSQGDRI-UHFFFAOYSA-N 383.879 3.930 0 40 GHAB Cc1cccc(OCCCC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c1 12793844 LOSKSDFXNLHCBM-SFHVURJKSA-N 378.476 3.603 0 40 GHAB CC(C)[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)N1CCOCC1 12978389 GHVBVQBSOQCJKG-KRWDZBQOSA-N 376.884 3.687 0 40 GHAB Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1cc2ccccc2o1 13956018 VHPUCUIRKPBRRK-UHFFFAOYSA-N 380.429 3.665 0 40 GHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCCSCc1ccsc1 14196858 XZVBQSDGYMQFOW-UHFFFAOYSA-N 396.921 3.749 0 40 GHAB COc1ccc(OCCN(C)Cn2nc(Cc3ccccc3)n(C)c2=S)cc1 14201586 IFXXFYLZASTSLO-UHFFFAOYSA-N 398.532 3.519 0 40 GHAB COc1ccc(S(=O)(=O)Oc2ccc(-c3nc(C)cs3)cc2)cc1OC 15359257 KIEKIXDCSYQWOQ-UHFFFAOYSA-N 391.470 3.903 0 40 GHAB COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1cc(Cl)ccc1C 15881271 WVDROOHZDCZBAX-UHFFFAOYSA-N 383.835 3.764 0 40 GHAB O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)cc1C(=O)O 16428792 WYSOUEMQMKTRNW-UHFFFAOYSA-N 399.255 3.584 0 40 GHAB O=C(COc1ccc(N2CCCC2=O)cc1)OCc1ccc(F)cc1Cl 16465072 HHWMPLLCDOMCJO-UHFFFAOYSA-N 377.799 3.728 0 40 GHAB CC(=O)N1CCc2nc([C@H]3CCCCN3Cc3cccc(Cl)c3)ncc2C1 19018284 BCBVTRQMDNMAQD-HXUWFJFHSA-N 384.911 3.762 0 40 GHAB O=C(c1ccnn1C(F)F)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 19345748 CUSVJMRZQKPTKH-UHFFFAOYSA-N 377.391 3.982 0 40 GHAB O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC(Oc2cccc(F)c2)CC1 19374104 WUZNKLLEUSTMQV-UHFFFAOYSA-N 392.430 3.865 0 40 GHAB COc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)ccc1O 19550064 QDYDBQGQCYOBGB-OAHLLOKOSA-N 397.500 3.592 0 40 GHAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@H](COc3ccccc3F)C1)CO2 19562332 DQWFAYVBXNENKH-AEFFLSMTSA-N 399.462 3.703 0 40 GHAB CN1CCN(CCc2ccccc2)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 19589564 CWZMEXCIMWLABE-VWLOTQADSA-N 399.538 3.924 0 40 GHAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)C(C)C)CC2)cc1 19694153 QQXDRASXKQQIRS-UHFFFAOYSA-N 382.508 3.580 0 40 GHAB CC(C)NC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)C1CCC1 19696431 WQBRQZDTWUEADA-HSZRJFAPSA-N 395.503 3.570 0 40 GHAB COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2CC(=O)NC(C)C)cc1 20352874 GVQQMJWKSLXZHJ-QHCPKHFHSA-N 377.488 3.649 0 40 GHAB O=C(NCCSCc1ccsc1)c1ccccc1OC[C@H]1CCCO1 21864443 MCDCYKWCPKGWQW-MRXNPFEDSA-N 377.531 3.969 0 40 GHAB CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H]1CCCc3ccccc31)cn2C 22237438 GRGCMMAYNMBOSA-FQEVSTJZSA-N 376.456 3.745 0 40 GHAB Cc1c(Cl)cccc1N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O 22273593 WLRHOPFXMRMBCB-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB CCN1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)CC1 22933166 RMHUTAKFHINGAQ-KRWDZBQOSA-N 378.520 3.779 0 40 GHAB C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccccc1N1CCCCC1)C2=O 23653860 DCSMMPSNQWRKAJ-FDDCHVKYSA-N 398.551 3.567 0 40 GHAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1CN(C)C1CCCCC1 26094111 ZWSSDEMQJLMQKS-UHFFFAOYSA-N 377.510 3.857 0 40 GHAB COc1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 30955138 HHWDBCQSZNNTEA-UHFFFAOYSA-N 392.459 3.596 0 40 GHAB O=C(NC1CCCCCC1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955290 KJEUXYPXEBONMP-UHFFFAOYSA-N 382.508 3.788 0 40 GHAB CCC(C)(C)C1CCC(NC(=O)COCc2nc3ccccc3c(=O)[nH]2)CC1 31172424 NXOJKYJNSXPNOJ-UHFFFAOYSA-N 385.508 3.551 0 40 GHAB C[C@H](NC(=O)CSc1nc(CN(C)C)nc2ccccc12)c1ccccc1 31619144 UIZZANZASJMLMD-HNNXBMFYSA-N 380.517 3.661 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1F 32445043 OZZGKZYINHSAKB-UHFFFAOYSA-N 389.901 3.699 0 40 GHAB C[C@@H](C(=O)Nc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1)n1cncn1 32914505 GYKNOKOFGWMTNS-AWEZNQCLSA-N 397.866 3.703 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@H](C)N1CCC[C@H](C(=O)Nc2ccccc2)C1 35268975 TZCRGFPLWDQCHJ-ROUUACIJSA-N 395.503 3.681 0 40 GHAB CC(=O)c1sc(NC(=O)c2ccc(-n3ccnc3)nc2)nc1-c1ccccc1 40043008 UYKJFLNYKCRNBD-UHFFFAOYSA-N 389.440 3.846 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCCO3)C1 40090856 XFAQCVVUXZCDBO-HOTGVXAUSA-N 394.471 3.828 0 40 GHAB CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc2c(c1)OCCCO2 43492876 YPTRAOGEASSBKT-INIZCTEOSA-N 384.432 3.542 0 40 GHAB COC(=O)C1CCN(C(=O)/C=C/c2cc(Cl)c(OC(C)C)c(OC)c2)CC1 44192877 YQXBGGUQDMKQDH-AATRIKPKSA-N 395.883 3.561 0 40 GHAB COC(=O)[C@@H](NC(=O)c1cc2sccc2n1Cc1ccccc1F)C(C)C 44892466 BSTWQHUQJVVCHZ-SFHVURJKSA-N 388.464 3.818 0 40 GHAB COc1cc(CNC(=O)[C@]2(C)CC2(Cl)Cl)ccc1OCc1ccncc1 48325070 IYASNQFGWLOTHF-SFHVURJKSA-N 395.286 3.869 0 40 GHAB O=C(Cn1ccc2ccccc21)NCCCC(=O)Nc1cccc2cccnc12 49030656 ICKMDVIRDXFGMK-UHFFFAOYSA-N 386.455 3.725 0 40 GHAB COc1cccc([C@@H]2CC(=O)Nc3c2cnn3C)c1OCc1cccc(F)c1 49547906 OFONCKZWEIDLKY-INIZCTEOSA-N 381.407 3.621 0 40 GHAB CCCc1noc([C@H](C)N2CCCN(C(=O)c3ccccc3Cl)CC2)n1 58167859 MPDSUIHDDGFSFS-AWEZNQCLSA-N 376.888 3.585 0 40 GHAB O=C(C[S@@](=O)Cc1cccc(C(F)(F)F)c1)N1CCc2sccc2C1 58224302 PBWBCCJNLSDJBH-RUZDIDTESA-N 387.448 3.601 0 40 GHAB CC(C)(CNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)N1CCOCC1 58290318 LEWFUHPILPRFLA-KVEMZPMDSA-N 396.575 3.752 0 40 GHAB COCCn1cc(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cn1 65563616 MUARGCPURKUIRB-UHFFFAOYSA-N 397.401 3.793 0 40 GHAB Cc1c(C(=O)N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)cnn1C 68115790 AEGVMCGNHQYALZ-UHFFFAOYSA-N 383.471 3.743 0 40 GHAB COc1ccc(-c2nnc(S[C@@H]3CCCCC3=O)n2C[C@@H]2CCCO2)cc1 68735357 LXNYNEHXXIFULM-FUHWJXTLSA-N 387.505 3.737 0 40 GHAB O=S(=O)(c1ccccc1)N1CCC2(CC1)C[C@H]2c1nnc(-c2ccccc2)o1 71889622 DRJSUVKCSIQBGQ-SFHVURJKSA-N 395.484 3.695 0 40 GHAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(-c2nnco2)c1 79072318 CSFOJZMODHNZCO-SFHVURJKSA-N 377.448 3.999 0 40 GHAB O=C(C[C@@H]1OCCc2ccsc21)NCc1nn(-c2ccccc2)c2c1CCC2 89857552 CTPWZPOBCZFOQY-FQEVSTJZSA-N 393.512 3.743 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)N(Cc1ccoc1)Cc1cccs1 90612200 GSNVFWLJNXGVTL-UHFFFAOYSA-N 381.450 3.880 0 40 GHAB Cc1nc(S)sc1CC(=O)N1CCC(OCc2ccc(F)cc2)CC1 92070546 NJBCQJJTNARXGO-UHFFFAOYSA-N 380.510 3.630 0 40 GHAB C[C@]1(c2cccnc2Cl)NC(=O)N(CCCOc2cccc(Cl)c2)C1=O 95419346 NDSHOXSMFJMAEO-GOSISDBHSA-N 394.258 3.625 0 40 GHAB O=C(NCCSCc1ccnc(Cl)c1)c1cccnc1N1CCCCC1 95458526 WLVFDUBYRHLWLH-UHFFFAOYSA-N 390.940 3.784 0 40 GHAB O=C(c1cscn1)N1CC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 96070995 AQLZLKWFKOAWFI-UHFFFAOYSA-N 395.450 3.900 0 40 GHAB O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1c(F)cccc1F 96190127 MMWUKJYNDMQMNQ-UHFFFAOYSA-N 380.700 3.841 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cc(=O)[nH]c2ccccc12 96222315 TVJDHCMHMCRPBK-FQEVSTJZSA-N 387.439 3.825 0 40 GHAB biogenic O=C(CC1CC1)N1CCC2(CC1)C[C@H](CC(=O)N1CCCC1)c1ccccc12 96242106 MCFMUTCEPVKXAC-IBGZPJMESA-N 380.532 3.847 0 40 GHAB COc1ccc([C@H]2c3c(ncn(CCO)c3=N)Oc3ccc4ccccc4c32)cc1 101146677 XSQRYFYSVCMSMM-HXUWFJFHSA-N 399.450 3.803 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O)Nc1ccccc1 210806727 CUKVYUALNYICCC-LICLKQGHSA-N 377.425 3.843 0 40 GHAB O=C1O[C@@]2(CCCN(C(=O)c3ccccc3Br)C2)c2ccccc21 211112389 NJZOZLICNJBKRY-LJQANCHMSA-N 386.245 3.751 0 40 GHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccs2)no1 219615924 MFVXDXZPJWMPHJ-ZDUSSCGKSA-N 377.853 3.925 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 222490620 OJNCDNRQXFNNIK-OAHLLOKOSA-N 390.936 3.904 0 40 GHAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccccc1C 223461439 VOQCBHIMBSGBIL-NRFANRHFSA-N 398.572 3.824 0 40 GHAB CCc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 224745473 LTZVHLUTDMBFQZ-LBPRGKRZSA-N 380.897 3.765 0 40 GHAB COc1ccc(CCC(=O)NCC2(c3ccccc3)CCOCC2)cc1OC 225009081 MWTHDYVLTXMSPM-UHFFFAOYSA-N 383.488 3.501 0 40 GHAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 225447454 SLCUZTFRHFRCBS-JOCHJYFZSA-N 396.531 3.614 0 40 GHAB COc1cccc(OC)c1CNC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 225914263 IVYUKNXZSPALED-UHFFFAOYSA-N 392.459 3.784 0 40 GHAB O=S(=O)(c1ccccc1Cl)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 238811747 AMANTUZRQLLLBK-LLVKDONJSA-N 395.893 3.630 0 40 GHAB CCc1ccc(NC(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1 242610666 CMEHUFCMDHYAIJ-UHFFFAOYSA-N 396.487 3.757 0 40 GHAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(C(=O)Cc3ccccc3)C2)n1 257323307 WJPOHTWNKSPSAJ-KRWDZBQOSA-N 393.516 3.852 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@@H](Cc2cc(-c3cccc(C(=O)O)c3)ncn2)C1 257330871 XQJDSWOVTJJVDT-HNNXBMFYSA-N 381.476 3.669 0 40 GHAB Cc1ccc(CSCc2nnc(SCC(=O)NC3CCCC3)n2C)cc1 409358380 FNPWMKXOIZMWPQ-UHFFFAOYSA-N 390.578 3.708 0 40 GHAB CN(C(=O)Cc1ccc2c[nH]nc2c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 526011567 HFPCYUTUDALWKS-MJGOQNOKSA-N 390.270 3.529 0 40 GHAB CC(C)C[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)c1nc2ccccc2[nH]1 526052623 WUZZWUMFSWFVCC-RBUKOAKNSA-N 376.460 3.641 0 40 GHAB C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1C[C@@H]2CCC[C@@H](N)[C@H]2C1 580834673 QTPHAGQQPSOJCA-LCLWPZTBSA-N 379.504 3.865 0 40 GHAB CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N1CCC(N=c2cccn[nH]2)CC1 585081717 MMHSEGFWJVYKPQ-ZUZNIGHFSA-N 384.568 3.934 0 40 GHAB COC[C@@H]1CN(Cc2csc(C)n2)CC12CCN(CC1CCCC1)CC2 585102896 HHGOUBYOWMDRDZ-IBGZPJMESA-N 377.598 3.802 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@@]3(CCOC3)C2)cc1Oc1ccc(C)nn1 652791719 FLKQLGCQDAJGSW-OAQYLSRUSA-N 398.463 3.620 0 40 GHAB COc1cc(NC(=O)N2CCO[C@H](C(F)(F)F)[C@H]2C)cc(Cl)c1OC 667287717 PZXPWRCKSZACSP-OQPBUACISA-N 382.766 3.541 0 40 GHAB O=C1C[C@@H]2CCN(C3CCC(F)(F)CC3)C[C@@H]2CCOc2ncccc2N1 1534646249 FVPFIWOJSLMHNB-GJZGRUSLSA-N 379.451 3.709 0 40 GHAB Cc1c(CCC(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)cnn1C 1615159228 PCQKAMOKDINDAL-NQIIRXRSSA-N 398.526 3.706 0 40 GHAB Brc1cnccc1O[C@H]1CCN(c2ncnc3ccsc23)C1 1776008849 QTFZSAQFQOCVNG-JTQLQIEISA-N 377.267 3.507 0 40 GHAB CCOC(=O)N1CCC(Nc2nc(-c3ccc4c(c3)OCO4)cs2)CC1 47283023 ZICNUOMFAFXCPB-UHFFFAOYSA-N 375.450 3.572 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2cccnc2)c(C)c1 783400 NSGWPRYRQIMSSG-UHFFFAOYSA-N 395.532 3.953 0 40 GHAB CCc1cccc2c(SCC(=O)N3CCOCC3)nc(-c3ccccc3)nc12 877633 KRGHVZUYUMSGQE-UHFFFAOYSA-N 393.512 3.810 0 40 GHAB Cc1ccc(C2=NN(C(=O)c3cccc(C)c3O)[C@](O)(C(F)(F)F)C2)cc1 910734 DFXCDYCGABHIFR-GOSISDBHSA-N 378.350 3.510 0 40 GHAB COc1cccc(OC)c1C(=O)N(CC(C)C)c1nnc(-c2cccnc2)s1 1356904 OUSTZFYOMBKJEC-UHFFFAOYSA-N 398.488 3.920 0 40 GHAB COc1ccc(S[C@H](C)C(=O)N(CCN(C)C)Cc2cccs2)cc1 79053912 BQRKQDAXCKLLRF-OAHLLOKOSA-N 378.563 3.828 0 40 GHAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 921655 YIXOTXAPNRXEQT-VGSWGCGISA-N 398.462 3.771 0 40 GHAB O=C(OCCOC(=O)c1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1 3187376 WVDPUAQYEOFTSJ-UHFFFAOYSA-N 390.391 3.920 0 40 GHAB CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3Cl)n2)cc1 4130071 MTUKYCHCUPFIOB-UHFFFAOYSA-N 385.855 3.811 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nnc(C)n2CCc2ccccc2)cc1 4165520 KXWFYTWESDBKIL-UHFFFAOYSA-N 394.500 3.763 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc(OC(=S)N2CCOCC2)cc1 4413760 NIRFUGFFOKPUHC-UHFFFAOYSA-N 376.865 3.588 0 40 GHAB COc1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1OC 4886133 UNURLJSWFGWHOU-IHWFROFDSA-N 380.488 3.629 0 40 GHAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C(=S)Nc1ccccc1Cl)C1CC1 4888355 HMKHZXBUFKBOTQ-GOOCMWNKSA-N 377.941 3.949 0 40 GHAB CCOc1cc(/C=C2\SC(=N)[C@H](c3nnc(CC)s3)C2=O)ccc1OC 6621449 JRTFWMKBZAANPC-XDNJSQOTSA-N 389.502 3.926 0 40 GHAB CCSc1ccccc1C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 7684362 OBHKDNXEBBESBF-UHFFFAOYSA-N 375.446 3.855 0 40 GHAB CCOc1ccc(OCCNC(=O)Cc2ccc(Br)cc2)cc1 7899578 PKSPMQJSUWAAPB-UHFFFAOYSA-N 378.266 3.586 0 40 GHAB COC[C@@H](C)NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 107078797 DACVRVGZWGQNPZ-SYNHAJSKSA-N 386.517 3.692 0 40 GHAB CCc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)cc1 8417218 JGJZMPCDCMGJOQ-UHFFFAOYSA-N 386.423 3.679 0 40 GHAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CSc2ccccc2O1 95393002 ABSJQUQJXYIPNY-SFHVURJKSA-N 387.476 3.543 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)CN2CCC[C@@H]2c2ccc(OC)cc2)c1 25415188 SEXVDTFSZJITBT-HXUWFJFHSA-N 382.460 3.566 0 40 GHAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCCCCCC2)Nc2ccccc21 100118097 POMZJZODTPGLOA-GNVZTASGSA-N 381.520 3.767 0 40 GHAB C[C@@H]1CCCN(C(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 3264207 MBMVNKPLKUBNTH-SNVBAGLBSA-N 394.682 3.827 0 40 GHAB CCCc1noc([C@H](C)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1 58167865 MYTHBXNQEXHTRO-AWEZNQCLSA-N 376.888 3.585 0 40 GHAB C[C@@H]1CN(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)C[C@@H](C)O1 58158432 MAEHFUYLAHEPMT-ZIAGYGMSSA-N 377.460 3.986 0 40 GHAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(F)c1)N(CCN(C)C)C3=O 10233099 VVSUTMOWFLIFNY-FQEVSTJZSA-N 394.446 3.656 0 40 GHAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ncc(C(F)(F)F)cc1Cl 3271627 XTBGCWWQDTZIHU-UHFFFAOYSA-N 390.720 3.617 0 40 GHAB Cc1cc(=O)c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 28199696 FTDOPHBFPRWZAP-BETUJISGSA-N 393.409 3.678 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 58007630 AQZWGANRHSDMEA-KVDXNUTJSA-N 393.487 3.784 0 40 GHAB Cc1sc2ncnc(SCc3cccc(S(=O)(=O)N(C)C)c3)c2c1C 12797995 UWXSESIXCNRUFN-UHFFFAOYSA-N 393.559 3.851 0 40 GHAB CC(C)Cc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCC2)C3=O)s1 36354283 OAKZLFPTJICARG-UHFFFAOYSA-N 398.488 3.528 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1C 12772419 XIXNYMLXDHIEDG-PZJWPPBQSA-N 393.531 3.831 0 40 GHAB COc1ccc(C(C)(C)C)cc1CN1C[C@H]2CCC[C@H](C1)C2(O)c1nccn1C 100150024 SGOFMINJDSUTOI-WOJBJXKFSA-N 397.563 3.846 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)C3CCN(c4cnccn4)CC3)ccc2[nH]1 28969557 KBVNTPKSELUUFZ-UHFFFAOYSA-N 378.480 3.506 0 40 GHAB Cc1nc(C(C)(C)C)nc2sc(C(=O)Nc3n[nH]c(C(F)(F)F)n3)c(C)c12 36714301 YPHWEEZHHYRLPX-UHFFFAOYSA-N 398.414 3.995 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 22330835 ULAYOSXJGXZNKU-HNNXBMFYSA-N 394.924 3.600 0 40 GHAB Cc1csc(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n23)n1 11907679 NKZWAPBRSOKJDM-UHFFFAOYSA-N 383.502 3.995 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 11916852 ZPXPOBYNIVLMHQ-UHFFFAOYSA-N 394.383 3.542 0 40 GHAB Cn1cc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cn1 37127624 WAZACNDXJLXUJD-UHFFFAOYSA-N 389.337 3.682 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCN(c2cccc(C)c2C)CC1 20045211 PWRFOQKYPGZZHQ-QFIPXVFZSA-N 382.504 3.818 0 40 GHAB CC(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 12138849 IKFOQXICTJFDCZ-IBGZPJMESA-N 396.487 3.736 0 40 GHAB CCn1c(SCc2noc(-c3ccco3)n2)nnc1-c1ccc(OC)cc1 12853349 DLUCZPMSAFTAFV-UHFFFAOYSA-N 383.433 3.909 0 40 GHAB O=C(COC(=O)c1ccc(Br)o1)Nc1ccccc1C(F)(F)F 3470497 FMUDPYZXLNPLHX-UHFFFAOYSA-N 392.127 3.856 0 40 GHAB COCCNC(=S)Nc1c(C(=O)OC)sc2c1CC[C@@H](C(C)(C)C)C2 3448142 XQSVJAWYASSYDE-LLVKDONJSA-N 384.567 3.619 0 40 GHAB CC(=O)c1ccc(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)s1 12999377 AFPNZVQXADKEJN-CYBMUJFWSA-N 387.457 3.973 0 40 GHAB CCOc1ccc(OCCN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cc1 12978105 JUORJTHXICZFJA-QHCPKHFHSA-N 394.471 3.638 0 40 GHAB O=c1cc(-c2cccc3ccccc23)nc(N2CCN(c3ccccc3)CC2)[nH]1 13611366 IZZWTKFRUIFGKZ-UHFFFAOYSA-N 382.467 3.917 0 40 GHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1C 9252360 XGWCSZLBDIBCJY-UHFFFAOYSA-N 384.860 3.728 0 40 GHAB Cc1nc(COC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1 95351454 HGSYBLGLEPKNGA-UHFFFAOYSA-N 388.470 3.609 0 40 GHAB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 4318602 WTLSDSRFQLEALL-KRWDZBQOSA-N 398.311 3.823 0 40 GHAB O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCN(c2ccccc2F)CC1 26781562 RKLWAXWITWROOH-OAHLLOKOSA-N 399.293 3.694 0 40 GHAB Cc1csc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)n2C)n1 9304573 IUVHBHSMZAHVSP-UHFFFAOYSA-N 393.925 3.555 0 40 GHAB C[C@H](Nc1ccc2c(c1)NC(=O)CS2)C(=O)Nc1ccc(F)cc1Cl 9322950 CEBZUTIJGMANGY-VIFPVBQESA-N 379.844 3.962 0 40 GHAB CC(C)n1cnnc1SCC(=O)N[C@@H](C)c1ccc(Br)cc1 5416638 RSXWDULJSHYDQT-NSHDSACASA-N 383.315 3.591 0 40 GHAB O=C(NCc1ccc(Cl)cc1Cl)c1cccc(N2C(=O)CCC2=O)c1 5443429 ITLFBDSLVIJEHF-UHFFFAOYSA-N 377.227 3.577 0 40 GHAB C[C@@H]1CCC[C@@H](NC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)[C@@H]1C 4699107 UDHRNHSAWUGIFW-YRGRVCCFSA-N 387.307 3.889 0 40 GHAB Cc1cc(C(=O)Cn2c([C@@H](C)O)nc3ccccc32)c(C)n1C[C@H]1CCCO1 6875363 USUWIINVUWQYCV-IAGOWNOFSA-N 381.476 3.570 0 40 GHAB CCOC(=O)[C@@H]1CCCN([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 15350354 SEOZXBYPFJRBGM-TZIWHRDSSA-N 380.488 3.950 0 40 GHAB Cc1noc(C)c1C(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 7006925 DLVCXINQZLAZKH-UHFFFAOYSA-N 396.447 3.570 0 40 GHAB Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)C(F)(F)F)o1 409001774 KGSXRTFRUSPUBY-OAHLLOKOSA-N 388.292 3.724 0 40 GHAB COc1ccc(CNC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1 7318835 XFJPZKGQRBXWLV-UHFFFAOYSA-N 387.439 3.852 0 40 GHAB COC(=O)[C@H](CCSC)NC(=O)c1cn(Cc2ccccc2)c2ccccc12 15760778 IZORIURWEFYZMI-IBGZPJMESA-N 396.512 3.714 0 40 GHAB biogenic CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCCCn2nc(C)cc2C)CC1=O 7985309 FDKJRPFOFVFQTP-QFBILLFUSA-N 396.535 3.573 0 40 GHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cn1c(=O)n(C)c2ccccc21 71844276 YYSUTWVFXGLKSA-MOPGFXCFSA-N 377.488 3.525 0 40 GHAB O=C(c1ccco1)N1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1 8346147 SJLOMBYALLTRQB-UHFFFAOYSA-N 382.489 3.516 0 40 GHAB C[C@H](CCc1ccc(O)cc1)NC(=O)NC1(c2noc(C3CC3)n2)CCCC1 95406626 MVDDRZZGLGQCDM-CQSZACIVSA-N 384.480 3.742 0 40 GHAB COC(=O)COc1ccc(NC(=O)/C=C/c2c(F)cccc2F)c2cccnc12 83891302 SOZJVDJDUWWSFN-JXMROGBWSA-N 398.365 3.717 0 40 GHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 20107621 LZVWSPSUDGSQAC-GOSISDBHSA-N 399.878 3.934 0 40 GHAB CCOc1ccc(C(=O)N[C@H](CC(=O)OC)c2ccc(Cl)cc2)cc1OC 17586865 RHFFPMBYLPHTIN-MRXNPFEDSA-N 391.851 3.782 0 40 GHAB Cc1ccc([C@](C)(O)CN[C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)o1 95968518 LWISYEWKPSQOJC-IIBYNOLFSA-N 391.533 3.863 0 40 GHAB Cc1cccc(-n2ncc(C(=O)NCCCc3ccc(N(C)C)cc3)c2C)c1 32818582 YSPKQIXLMBBXDI-UHFFFAOYSA-N 376.504 3.918 0 40 GHAB Cn1c(=O)c2sccc2n2c(SCc3ccc(F)cc3Cl)nnc12 35529224 LCIVZWCAAWTMRG-UHFFFAOYSA-N 380.857 3.728 0 40 GHAB NC(=O)C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 512312284 CIYMQJRQZADMPW-IXDOHACOSA-N 376.378 3.542 0 40 GHAB COCc1csc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1 512951403 PUKBAWWVJFKBAQ-UHFFFAOYSA-N 382.367 3.746 0 40 GHAB Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4ccc(=O)[nH]c4)C3)n2)c1 72349909 GXPNIINIJSIVLT-FQEVSTJZSA-N 387.483 3.689 0 40 GHAB C[C@@H]1CN(Cc2ccccc2NC(=O)c2cc(-n3cccc3)ccn2)C[C@@H](C)O1 561719022 SNIQAHIEUQCCSK-QZTJIDSGSA-N 390.487 3.734 0 40 GHAB Cc1nc(CNC(=O)N[C@H]2CCCN(C)c3ccccc32)nc2ccccc12 567195311 NHWGZMVZCOAVMC-IBGZPJMESA-N 375.476 3.709 0 40 GHAB Cc1cc(C)n(CCN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1 77190851 XOXVVRUZRHIWDN-UHFFFAOYSA-N 396.322 3.656 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 222431744 LPZJYBZGZVBWJD-GOSISDBHSA-N 384.545 3.782 0 40 GHAB COc1ccc(NC(=O)N(C)CCOc2ccccc2F)cc1OC(F)F 40104544 NJSWXMUEKSJVAU-UHFFFAOYSA-N 384.354 3.978 0 40 GHAB Cc1cc(C)n(-c2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3s2)n1 226305504 ORJSIRHNQXILCK-UHFFFAOYSA-N 390.534 3.519 0 40 GHAB O=C(c1cncc(Br)c1)N1CCC[C@@H](COCc2ccccc2)C1 49031470 UZEJNLJZHQTSHD-MRXNPFEDSA-N 389.293 3.913 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c1 225921657 PGVOJEJGUCBZCS-SFHVURJKSA-N 386.517 3.651 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 44902761 FQGFIGIEASCGOF-SFHVURJKSA-N 399.443 3.673 0 40 GHAB CCN(CC)C(=O)C[C@@H]([C@H](CC(F)(F)F)C(=O)N(CC)CC)C(F)(F)F 45028185 ZISXYTBEXWOPPY-RYUDHWBXSA-N 392.384 3.860 0 40 GHAB CC[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(OC)c(OC)c1 44856875 OXPHUOXTLQJLHG-IBGZPJMESA-N 379.460 3.830 0 40 GHAB CCCCC(=O)NC(=S)Nc1ccc(-c2ccc(C(=O)O)o2)c(OC)c1 226351432 UTRNDUYEKNXTBW-UHFFFAOYSA-N 376.434 3.657 0 40 GHAB COc1ccc(-c2noc(-c3nc(-c4ccc(N(C)C)cc4)no3)n2)cc1OC 98212373 CHGBLXNRBIHZPV-UHFFFAOYSA-N 393.403 3.537 0 40 GHAB COc1ccc(CCNC(=O)N2CCC(Cn3ccnc3C(C)C)CC2)cc1 90560528 SZVXCXBHUCGTDB-UHFFFAOYSA-N 384.524 3.679 0 40 GHAB CCCOc1c(Cl)cc(C(=O)N2CCC([C@@H]3CCNC3)CC2)cc1OCC 585089122 MUNFMCRKISLXOR-MRXNPFEDSA-N 394.943 3.989 0 40 GHAB CCN(C(=O)CN1CCOc2cccc(F)c2C1)c1nc2ccccc2s1 585080251 TXFSIUINEWGZTE-UHFFFAOYSA-N 385.464 3.683 0 40 GHAB CC(=O)N1[C@@H]2CN(C(=O)c3cc4cc(F)ccc4[nH]3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257313549 UTCHJWXBPPOBHW-QRXQEZHUSA-N 383.467 3.701 0 40 GHAB COc1cccc(C(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)c1 257260592 LDMWXTFTKNUZFH-JBYIUTFZSA-N 381.520 3.929 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 260593232 ZLJCXEDONXABKO-QZTJIDSGSA-N 388.533 3.644 0 40 GHAB Cc1ccc(F)c(S(=O)(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)c1 620943530 YISMESABRKYDAO-INIZCTEOSA-N 388.508 3.738 0 40 GHAB COCc1ccc(NC(=O)[C@@](C)(OC)C(=O)OC(C)(C)C)cc1C(F)(F)F 598190078 GINDTRCJKAFACP-QGZVFWFLSA-N 391.386 3.537 0 40 GHAB CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@H](Cc3ccccc3)C2)ccc1C 605584771 JXSSUDMQYIJVNQ-LJQANCHMSA-N 386.517 3.597 0 40 GHAB COc1c(F)c(F)cc(C(=O)N2CC[C@H](n3c(C)nc4ccccc43)C2)c1F 575618177 SZDMCOUTWGBTNJ-LBPRGKRZSA-N 389.377 3.858 0 40 GHAB Cc1csc(C(=O)N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)c1 575414720 LNNYSQYBXZINGQ-MRXNPFEDSA-N 383.922 3.712 0 40 GHAB O=C(/C=C/c1ccco1)N1CCC[C@@H](Cc2cc(Nc3ccccn3)ncn2)C1 585292874 TVSNAIZSRYGJSH-IJDCCNJMSA-N 389.459 3.703 0 40 GHAB Cc1cc(-c2nc(C)c[nH]2)nc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 585182429 SOKFUVVLSSUGQE-GOSISDBHSA-N 379.439 3.529 0 40 GHAB CN(CCOc1ccccc1F)c1ncc(C(=O)O)c(CCc2ccccc2)n1 585265792 ULRBPFBSQDRMJM-UHFFFAOYSA-N 395.434 3.614 0 40 GHAB CN(CC1=CCCOC1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 585100332 RIXIQIFKFXNWJK-UHFFFAOYSA-N 397.450 3.817 0 40 GHAB COCCCNC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 60339908 LXGYXPRFETTZJV-UHFFFAOYSA-N 380.242 3.794 0 40 GHAB O=C1CC[C@H](c2cccc(N[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)c2)N1 515223231 CCKQBQRLMREHCN-QZTJIDSGSA-N 387.842 3.648 0 40 GHAB CCc1nnsc1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615129815 WWKJJGDWBKMJEA-FQEVSTJZSA-N 388.512 3.903 0 40 GHAB Cc1nc(COc2ccc(C(=O)OCC(=O)c3ccc(Cl)s3)cc2)no1 11264074 RUSJQALJZUZOTC-UHFFFAOYSA-N 392.820 3.712 0 40 GHAB CCN(CC)C[C@H]1CCCN(c2c(C)c(C)nc3cc(C4CCOCC4)nn23)C1 12155426 HGKWVOFXFCHGIA-LJQANCHMSA-N 399.583 3.798 0 40 GHAB COCCOc1ccc(CN2CCC(O)(c3ccc(C)cc3)CC2)cc1OC 12293032 RTXLCOKPCONFGK-UHFFFAOYSA-N 385.504 3.512 0 40 GHAB COc1ccc([C@@H](C)O)cc1NC(=O)c1ccccc1I 12854773 ONNLMPRMEGMDNE-SNVBAGLBSA-N 397.212 3.605 0 40 GHAB O=S(=O)(c1ccccc1)C1[C@@H]2CCC[C@H]1C2(Br)Br 13764643 IIAPSHKZISHKOG-FOSCPWQOSA-N 394.128 3.745 0 40 GHAB Cc1nc(NC(=O)CSc2nc3ccccc3[nH]2)nc2c1C(=O)CC(C)(C)C2 16266311 GRDLKNSTBJQJRI-UHFFFAOYSA-N 395.488 3.547 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(C(=O)CC4CCCCC4)[C@H]23)cc1 19019297 LAFCHBMFVKIAAT-CQOQZXRMSA-N 398.547 3.971 0 40 GHAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)C(C)C)ccc21 9169489 DCEHBMHDNUVJGX-UHFFFAOYSA-N 382.526 3.634 0 40 GHAB O=C(CC1CCCC1)NCCn1c(C(F)(F)F)cc(=O)c2cccc(F)c21 19345089 JCBJIVMLYSOIAI-UHFFFAOYSA-N 384.373 3.856 0 40 GHAB CN(C)C1CCC2(CC1)CN(C(=O)COc1ccccc1)Cc1ccccc1O2 19583916 LCHRSCQGBNJZTA-UHFFFAOYSA-N 394.515 3.730 0 40 GHAB O=C(C1CCCCC1)N1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840420 MGHIZOMHVOQGRM-QFIPXVFZSA-N 388.483 3.521 0 40 GHAB CC(C)n1ccc(=NC(=O)c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)[nH]1 2037845505 GSBPQEDKBXGPDF-UHFFFAOYSA-N 383.471 3.820 0 40 GHAB COc1ccc(CC(=O)N2CCN=C2SCc2cc(C)ccc2C)cc1OC 4120332 VHBYQHOWHGHGRK-UHFFFAOYSA-N 398.528 3.995 0 40 GHAB Cc1ccc(Cl)c2sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)nc12 4518065 JRSVJPVPFOCRSD-UHFFFAOYSA-N 380.878 3.914 0 40 GHAB COc1cccc2sc(N3CCN(C(=O)/C=C/c4cccs4)CC3)nc12 4583484 NLSMAFKBMGDIIT-BQYQJAHWSA-N 385.514 3.728 0 40 GHAB CCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)CC)cc3)nc12 5241726 YSOMUYQOOYYYSB-UHFFFAOYSA-N 390.486 3.741 0 40 GHAB COc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(C)no3)nc12 12422341 QPIAAOJONCHJMU-ZDUSSCGKSA-N 387.461 3.736 0 40 GHAB COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCCC2)c1 22852429 FXYYBMNELDKXPR-MRXNPFEDSA-N 396.472 3.950 0 40 GHAB CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cc(C4CC4)on3)CC2)nn1 1775966176 XFVKVUYOPKWRRD-UHFFFAOYSA-N 384.480 3.571 0 40 GHAB Cc1cc(C)cc(N2C(=O)[C@@H]3N=NN(c4ccc(Br)cc4)[C@H]3C2=O)c1 23125747 HQDVQKPLHVRCNH-HZPDHXFCSA-N 399.248 3.564 0 40 GHAB O=C(Nc1cccc(Cl)c1)N(CCN1CCOCC1)Cc1ccccc1F 20358535 OEEFYZFDUKLAJQ-UHFFFAOYSA-N 391.874 3.845 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1ccccc1C(F)(F)F)CC(O)=N2 31818689 ANDQTNSLTYDOFZ-NSHDSACASA-N 389.337 3.819 0 40 GHAB C[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)c1ccc(NC(=O)C2CC2)cc1 32795350 JOKDGDDVBOLEAB-KBPBESRZSA-N 395.459 3.885 0 40 GHAB CN(Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1N1CCCCC1 32806094 QBCKCQUWTCEZPR-UHFFFAOYSA-N 396.922 3.970 0 40 GHAB CCn1c(S)nc2cc(C(=O)Nc3cccc4cccnc34)ccc2c1=O 102671476 RFNNLFSAGOOJFE-UHFFFAOYSA-N 376.441 3.506 0 40 GHAB CC(C)n1ncc2cc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)cnc21 32900194 VGSYCESAMDOINX-SFHVURJKSA-N 381.480 3.562 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)[C@H](C)C(=O)NC1CCCC1 32929794 ZOCVZRQNLUGUOP-MRXNPFEDSA-N 379.566 3.963 0 40 GHAB Cc1cccnc1NC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 21893423 HREXTUBXCKHELI-GFCCVEGCSA-N 388.518 3.565 0 40 GHAB CC1CCC2(CC1)NC(=O)N(CN(C)[C@H](C)c1nc3ccccc3s1)C2=O 22090439 VTYXXTKFGBYAKG-LQZXRHCMSA-N 386.521 3.747 0 40 GHAB CCOC(=O)c1cccc(NC(=O)c2cccc(I)c2)c1 683057 UGYKLPJINHNRRX-UHFFFAOYSA-N 395.196 3.720 0 40 GHAB O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@@H](c2cccc(O)c2)O1 710012 PFXLZTNQSFWTIG-FYYLOGMGSA-N 391.423 3.943 0 40 GHAB CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 2661900 NEPGOBLNJDJQIN-NRFANRHFSA-N 399.878 3.617 0 40 GHAB Cc1cc(C)n(Cc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)n1 2786794 JIEHJOCWQITLOZ-UHFFFAOYSA-N 390.472 3.949 0 40 GHAB CC(=O)Nc1ccc2c(COC(=O)CCC(=O)c3cccs3)cc(=O)oc2c1 3357526 UDAVLBGXEIJNKU-UHFFFAOYSA-N 399.424 3.519 0 40 GHAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)NCC1CCCCC1 3407105 DYNDPNGAKQGVLY-ZDUSSCGKSA-N 376.501 3.798 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(I)cc1 3560173 AOKFCXSHDMAIQZ-UHFFFAOYSA-N 376.197 3.954 0 40 GHAB CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(F)cc3)N2C1=S 4024216 MQPJOMOPKZBFFW-HKUYNNGSSA-N 379.460 3.770 0 40 GHAB biogenic COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)[C@H](C)Oc1ccccc1 4033158 CLQBPBCFMMONHY-HNNXBMFYSA-N 388.427 3.811 0 40 GHAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)ns2)cc1OC 4167261 JQSZEAACROJUAP-UHFFFAOYSA-N 387.486 3.953 0 40 GHAB NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2F)cc1 4317067 GHNLARIVONCWBD-OAQYLSRUSA-N 395.459 3.829 0 40 GHAB CCCNC(=O)c1ccccc1-c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 4384060 LPKFISIWENTWFD-UHFFFAOYSA-N 397.431 3.569 0 40 GHAB Nn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1C1CCCCC1 4854984 MSSXCBSFPHMDPV-UHFFFAOYSA-N 399.442 3.789 0 40 GHAB CCc1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 5025224 NCNUMXXENFDYMY-LJQANCHMSA-N 391.920 3.732 0 40 GHAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2cccc(C)c2)c2ccccc21 5086977 LTFSQNZENYBTDM-UHFFFAOYSA-N 391.471 3.640 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 5298937 LDKNQPFJUSDXBB-AWEZNQCLSA-N 398.937 3.810 0 40 GHAB COc1ccccc1Nc1nnc(SCc2nc3ccccc3c(=O)[nH]2)s1 6035774 HQJRDOXKTYFQGZ-UHFFFAOYSA-N 397.485 3.819 0 40 GHAB COc1cccc(-c2noc(COC(=O)c3cnc(Cl)c(Cl)c3)n2)c1 6643049 DRUZIIQGZQEWNH-UHFFFAOYSA-N 380.187 3.804 0 40 GHAB Cc1nc2sc(C(=O)OCC(=O)Nc3ccccc3C(C)C)c(C)c2c(=O)[nH]1 6646670 SIBSDBJCQVBVQL-UHFFFAOYSA-N 399.472 3.520 0 40 GHAB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(CC(=O)OC)C1=O 6964625 PVDHUFYJKKPDJM-YBEGLDIGSA-N 387.482 3.613 0 40 GHAB COc1ccc([C@H](CNC(=O)CN2CCCC2)c2c[nH]c3ccccc23)cc1 7340308 XTMDIGDJKHNVPF-FQEVSTJZSA-N 377.488 3.520 0 40 GHAB Cc1cc(NC(=S)NCc2ccc3c(c2)OCO3)ccc1Br 7528517 SMVCIHKDNRDBEF-UHFFFAOYSA-N 379.279 3.973 0 40 GHAB Cc1cccc(C)c1-n1nnnc1SCc1cc(Cl)c2c(c1)OCCO2 7989605 WMBPOWCVWNSRRV-UHFFFAOYSA-N 388.880 3.996 0 40 GHAB CCc1nc2ccccc2n1CC(=O)NCc1ccccc1CN1CCCC1 8013150 MYSZZVPBZPCRAG-UHFFFAOYSA-N 376.504 3.511 0 40 GHAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccccc1Br)c1ccccc1 8088540 GUAGKTWWAAHVET-ACJLOTCBSA-N 389.293 3.894 0 40 GHAB COc1ccc(CC(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 8498714 JZAOKNFJTZQYBO-OAHLLOKOSA-N 383.444 3.647 0 40 GHAB CCCCC(=O)Nc1cc(Br)c(N)c(Br)c1OC 8702071 JIMVXPPDZOJGIR-UHFFFAOYSA-N 380.080 3.931 0 40 GHAB COCCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)nc2ccccc21 9073804 NHULLFGTKXPLTA-UHFFFAOYSA-N 383.473 3.616 0 40 GHAB COC(=O)[C@](NNc1ccccc1)(Nc1nc2ccccc2s1)C(F)(F)F 9111249 CQEUJZLNGGERID-MRXNPFEDSA-N 396.394 3.757 0 40 GHAB CC1(C)Cc2cc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)ccc2O1 10298725 MFJADMQMWANAKU-YBEGLDIGSA-N 396.830 3.720 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C)c1 10958388 OGCBIOUFZYDUSD-SFHVURJKSA-N 386.517 3.651 0 40 GHAB COc1ccccc1OCCN(C)Cc1c([C@@H]2CCCO2)[nH]c2ncccc12 12085210 HJPNMDUPCKOYNJ-FQEVSTJZSA-N 381.476 3.934 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2cc(O)c(OCc3ccccc3)cn2)cc1 12168558 OSLPGKYRURVCCF-UHFFFAOYSA-N 377.400 3.577 0 40 GHAB COc1ccccc1C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 12238722 ZXPZQHCKWNZBLS-LJQANCHMSA-N 388.471 3.991 0 40 GHAB O=C(CSc1nnc(COc2ccccc2)o1)Nc1nc2ccccc2s1 12249400 CGLSUBSRZLTPRW-UHFFFAOYSA-N 398.469 3.989 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1N1CCOCC1 12517124 CQYFPFQILBQAMQ-UHFFFAOYSA-N 380.473 3.602 0 40 GHAB COc1cccc(-n2ccnc2SCc2nc3c(C)cccc3c(=O)[nH]2)c1 12520657 UXHONVUKSGDUGP-UHFFFAOYSA-N 378.457 3.718 0 40 GHAB O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1ccccc1F 12753961 TVCVUWMBTMHWFN-UHFFFAOYSA-N 388.324 3.788 0 40 GHAB COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(Cl)cc3)ccc2c1 12805448 UZKNXVSCIVLMTI-UHFFFAOYSA-N 396.874 3.890 0 40 GHAB CN(C)C[C@H](NC(=O)c1c[nH]c2ccc(Br)cc12)c1ccccc1 12907325 UIEWYEFHDLRQHH-SFHVURJKSA-N 386.293 3.963 0 40 GHAB CCCOc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1 12972459 GDBPGIYDZILVSG-HUUCEWRRSA-N 389.521 3.793 0 40 GHAB Cc1ccc(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)o1 12976444 MCMRMUFUOUSMSR-GDNBJRDFSA-N 390.848 3.708 0 40 GHAB CCCc1cc(=O)oc2cc(OCc3cc(=O)n4cccc(C)c4n3)ccc12 12981099 CAWZEXCFIKVTAU-UHFFFAOYSA-N 376.412 3.641 0 40 GHAB COc1ccc(OCCN(C)[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12986864 IGVIPZARQRKNDP-CYBMUJFWSA-N 387.505 3.682 0 40 GHAB CCN(C(=O)CSc1ccc(C(=O)N2CCCC2)cn1)c1ccccc1C 13010119 GECVRFLCBLWWRC-UHFFFAOYSA-N 383.517 3.771 0 40 GHAB Cc1ccc(SCCNC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc1C 13011854 NITWKORBNRUSOL-KRWDZBQOSA-N 386.517 3.827 0 40 GHAB CCNC(=S)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 13042396 RSBUHGAKAYXMIC-QGZVFWFLSA-N 383.517 3.801 0 40 GHAB CSc1nc2nc(C(C)C)c(-c3ccc(Br)cc3)c(N)n2n1 13638161 SXALSTZGMKRUHM-UHFFFAOYSA-N 378.299 3.981 0 40 GHAB Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)cc1 13846161 BLICVOYKBNDTER-NFQUHZNNSA-N 375.424 3.750 0 40 GHAB COc1cc(Br)c(CCNC(=O)CCc2ccsc2)cc1OC 14077113 KKXQFYVCFKIZDV-UHFFFAOYSA-N 398.322 3.819 0 40 GHAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(CN2CCCCC2)cc1 14198264 FGVUTMFAEHLUHE-QFIPXVFZSA-N 392.499 3.849 0 40 GHAB C[C@H](NC(=O)/C=C/c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 15525473 BXLIVSGZEKBSSA-IIANPFDCSA-N 381.856 3.773 0 40 GHAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(C)c(C)c3)c2)nn1 15880825 CLIVDPOIPQDZPU-UHFFFAOYSA-N 395.484 3.806 0 40 GHAB COc1ccc(-c2ccc(CCC(=O)N3CC(=O)Nc4ccccc43)o2)cc1 16228930 VFQPJLHYTSYMHE-UHFFFAOYSA-N 376.412 3.873 0 40 GHAB Cc1sc2ncnc(N3CCC(C(=O)NCCc4ccccc4)CC3)c2c1C 17357514 UVKKQHNNYQVVDZ-UHFFFAOYSA-N 394.544 3.883 0 40 GHAB COc1ccccc1C(=O)Oc1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 17976174 MXOHBYVLFGGLKK-IRXDYDNUSA-N 379.412 3.594 0 40 GHAB COc1cccc(C2=NO[C@@H](C(=O)N3CCCCC[C@H]3c3cc(C)no3)C2)c1 19120106 ZXQXTNZBHRGXBE-AZUAARDMSA-N 383.448 3.629 0 40 GHAB Cc1cccc(-c2ocnc2C(=O)N2CCN(CCn3c(C)ccc3C)CC2)c1 19235286 QVBFRGNMPYNLDR-UHFFFAOYSA-N 392.503 3.526 0 40 GHAB NCCn1nc([C@@H]2CCN(Cc3cccc(Cl)c3Cl)C2)c2cccnc21 19292607 DUZXUJKMCUTLEG-CQSZACIVSA-N 390.318 3.686 0 40 GHAB O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 19369039 OMUYDJZYUGVSLD-UXHICEINSA-N 392.528 3.921 0 40 GHAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN([C@@H](C)Cc2ccccc2F)C1 19456887 OVBSVHJFZZWAJS-HJPURHCSSA-N 382.479 3.586 0 40 GHAB CCc1ccc(C(=O)N2CCC(n3nc4c(cc3=O)CCCCC4)CC2)cc1 19522863 VJZOLIHNLQPYOU-UHFFFAOYSA-N 379.504 3.552 0 40 GHAB Cc1n[nH]c(C)c1NC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCOCC1 19579116 DDPFVKKUGWPAIB-UHFFFAOYSA-N 398.438 3.799 0 40 GHAB COc1ccc(CN2CCC(n3nc(C)cc3C)CC2)cc1Cn1ccnc1C 19656816 NZDRXBMQIMVURP-UHFFFAOYSA-N 393.535 3.899 0 40 GHAB COc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CCC2 19819151 AWMHJPNOTZEBMD-UHFFFAOYSA-N 387.439 3.936 0 40 GHAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc(C(=O)OC)c1 20490929 RREWJVQJUOWBAK-HNNXBMFYSA-N 399.443 3.591 0 40 GHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)OCCN1C(=O)c2ccccc2C1=O 21815407 ZINKZSLEPGXELF-GFCCVEGCSA-N 389.860 3.660 0 40 GHAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)NCC1(c2ccccc2)CC1 22764424 IDVZWHAFDILHLA-UHFFFAOYSA-N 392.282 3.927 0 40 GHAB CC1(C)Cc2cccc(OCCNC(=O)c3nc(Cl)ccc3Cl)c2O1 24450237 UICKMGCIYIULHJ-UHFFFAOYSA-N 381.259 3.911 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)N(C)[C@H]2CCCc3ccccc32)CC1=O 24761597 TXNLNUXQHHXEDI-MJGOQNOKSA-N 378.472 3.584 0 40 GHAB CN(C)[C@@H](CNC(=O)/C=C/c1ccccc1Br)c1ccsc1 25812110 AOALIEGSHXAWAP-WAVCKPEOSA-N 379.323 3.943 0 40 GHAB Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)c1 26046545 LSGKFOBXZQSFGE-AWEZNQCLSA-N 393.468 3.875 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCO[C@@H](c2ccccc2)C1 27906958 ASDMVGPTJWSJBP-JOCHJYFZSA-N 375.472 3.632 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)s1 29081938 RXTCWNGMLCWQIS-IBGZPJMESA-N 385.464 3.798 0 40 GHAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1csc(Cc2ccc(Cl)cc2)n1 29704298 HIMQCGYDZMUIBX-IBGZPJMESA-N 397.931 3.800 0 40 GHAB COc1ccc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC 30863007 NERXUYNWMSDZBK-UHFFFAOYSA-N 390.288 3.630 0 40 GHAB Cc1ccc2nc(COC(=O)c3cnn(Cc4ccccc4Cl)c3)cn2c1 31112101 HYZSOEYVAIZUFK-UHFFFAOYSA-N 380.835 3.898 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1[nH]c2c(c1C)C(=O)CCC2 31492869 VXRYDPHXZSCZMY-UHFFFAOYSA-N 390.487 3.917 0 40 GHAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)n2ncc(-c3ccc(F)cc3)c2N1 32104428 CHPCSISKHNAJLZ-MRXNPFEDSA-N 384.798 3.865 0 40 GHAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1OC 32115151 YMXBJWFJEKWUHR-UHFFFAOYSA-N 385.489 3.951 0 40 GHAB CCCCS(=O)(=O)N1CCC(c2nnc(-c3ccccc3OC)s2)CC1 35597015 ZBVCCPOZBQFDSL-UHFFFAOYSA-N 395.550 3.523 0 40 GHAB CCCCn1nc(C)c2c(C(=O)N(C)Cc3cnn(C)c3C)cc(C3CC3)nc21 36612257 HHRDZMODLDRSQF-UHFFFAOYSA-N 394.523 3.731 0 40 GHAB CCCCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cnn(C)c3C)nc21 36614365 GGYBAHHFMFCCGE-UHFFFAOYSA-N 397.426 3.982 0 40 GHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Nc1nc2ccccc2s1 37170285 QWWYROYMDIBRBS-LBPRGKRZSA-N 389.502 3.925 0 40 GHAB CC(=O)CCc1ccc(OC[C@H](O)CN[C@@H]2CCSc3ccccc32)cc1 39976565 KDOLEGOURWCPND-WIYYLYMNSA-N 385.529 3.775 0 40 GHAB COc1ccc2nc(NC(=O)CCc3nnc(-c4ccccc4)o3)sc2c1 39984252 YWQSYLHGCZLLMT-UHFFFAOYSA-N 380.429 3.926 0 40 GHAB COc1ccc2c(c1)CCCN2C(=O)CNc1ccc(OC)c(OC(F)F)c1 40061313 FNIRCGMYBOYAAC-UHFFFAOYSA-N 392.402 3.697 0 40 GHAB O=C(CCC(=O)c1ccc(Cl)s1)NCc1ccc(N2CCCC2)nc1 40068242 OYHYKBNBLXTZFL-UHFFFAOYSA-N 377.897 3.676 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1 40086557 CVSZLJPRZUVMLI-OAHLLOKOSA-N 378.259 3.940 0 40 GHAB CC[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccccc1OC 40133740 VKCANAUHGLRZIF-GDBMZVCRSA-N 388.899 3.623 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1cccc(Br)n1 48290788 ROQZUPHYJCYOKN-UHFFFAOYSA-N 386.043 3.624 0 40 GHAB O=C(NC[C@H](O)c1cccc(Cl)c1)C1CCN(c2nc3ccccc3o2)CC1 48324758 TVEGGOSDUYTKOQ-SFHVURJKSA-N 399.878 3.547 0 40 GHAB C[C@H](SCc1ccccc1)C(=O)NCc1ccnc(OCC(F)(F)F)c1 48355493 HLNTWIGDMAUGDV-ZDUSSCGKSA-N 384.423 3.961 0 40 GHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccccc2Cn2cncn2)c1 48362743 MCLOOISAPNWFNC-SFHVURJKSA-N 392.503 3.842 0 40 GHAB CC(=O)Nc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)cc1 55980367 ZLOVQWYGGORYDD-AWEZNQCLSA-N 392.864 3.570 0 40 GHAB O=C(Cc1c(F)cccc1Cl)NCc1cccc(NC(=O)c2ccncc2)c1 55986604 JVFPTZPXBGYXAU-UHFFFAOYSA-N 397.837 3.985 0 40 GHAB COc1ccccc1N1CCN(Cn2nc(-c3ccccc3)oc2=S)CC1 56552552 IDJFLTOACMPMRP-UHFFFAOYSA-N 382.489 3.661 0 40 GHAB COC(=O)c1c(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)sc2c1CCC2 57315488 XGSRYDVGTTZDFZ-NSHDSACASA-N 392.908 3.966 0 40 GHAB Cc1nc2ccc(N[C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)cc2s1 57406425 WAWKNAJUDHNDJL-INIZCTEOSA-N 394.544 3.750 0 40 GHAB COc1ccccc1S(=O)(=O)Nc1cc(C(=O)O)ccc1Oc1ccccc1 58306948 UGXQNZSKXMRGKJ-UHFFFAOYSA-N 399.424 3.987 0 40 GHAB CCN1C[C@@H](C(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)CC1=O 58735873 GWHVIVNKEVOVIO-ZDUSSCGKSA-N 388.851 3.948 0 40 GHAB O=C(c1n[nH]c2ccccc12)N1CCO[C@@H](c2ccc(Br)cc2)C1 60065626 ZFEZTSQJWQMGLF-MRXNPFEDSA-N 386.249 3.539 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)NC3CCN(CC4CCCCC4)CC3)CC2=O)cc1 60167556 KVZGEWKXQVXULN-FQEVSTJZSA-N 397.563 3.509 0 40 GHAB Cn1cc(CNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)cn1 63185474 HSNZEMXXZTZZFM-UHFFFAOYSA-N 380.414 3.750 0 40 GHAB Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(c1ncnc3[nH]ccc13)C2 67935134 NFBUEXMGQBOJQU-UHFFFAOYSA-N 393.834 3.778 0 40 GHAB Cc1cccc(Cl)c1NC(=O)CN1C(=O)C(c2ccc(F)cc2)=NC1(C)C 71769065 OBVJVXLDCSPHJF-UHFFFAOYSA-N 387.842 3.794 0 40 GHAB COc1ccc(/C=C\C(=O)Nc2nnc([S@](=O)Cc3ccccc3)s2)cc1 72238651 PMSHNKFUBFHVMF-MNGZUSSTSA-N 399.497 3.506 0 40 GHAB CCN1CCN(C(=O)CC(C)(C)C)[C@H](Cc2ccccc2-c2cccnc2)C1=O 72351549 CBCLLELRQRSDEB-OAQYLSRUSA-N 393.531 3.787 0 40 GHAB 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CCc1cccc(NC(=O)N2CC[C@]3(C[C@H]3C(=O)N(C)Cc3ccccn3)C2)c1 96227434 NGBBIWSOHGAHST-REWPJTCUSA-N 392.503 3.547 0 40 GHAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)c2ccccc21 96241920 FXIHWUWREWFRAA-QGZVFWFLSA-N 380.488 3.694 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3ccccn3)CC2)c2ccccc21 96241952 JBAOBQPOERRYTK-SFHVURJKSA-N 391.515 3.658 0 40 GHAB Cc1cccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)c1 102076871 OBRQVRYNQRWLIZ-ILHTXMRTSA-N 399.446 3.772 0 40 GHAB Cc1ccc(CNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 113955905 JPVWJBUVYQVKNS-UHFFFAOYSA-N 394.924 3.511 0 40 GHAB CO[C@@H](CNC(=O)C(=O)Nc1ccccc1SC)c1ccccc1Cl 158501333 ULQLJZXIJUSZAK-HNNXBMFYSA-N 378.881 3.504 0 40 GHAB O=S(=O)(NCc1ccc([C@H](O)c2ccccc2)s1)c1ccc(Cl)cc1 207971158 RQZSYTZURYXXNF-GOSISDBHSA-N 393.917 3.962 0 40 GHAB Cc1c(C(=O)Nc2ccccc2C(F)(F)F)cccc1N(C)S(C)(=O)=O 222430480 DRKLBBGPGPQAKA-UHFFFAOYSA-N 386.395 3.662 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 222804969 XSRKERBQGAKNLJ-JOCHJYFZSA-N 396.531 3.960 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1 223192620 MBPZSMVQTOFCHD-IBGZPJMESA-N 388.895 3.581 0 40 GHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)Cc1c(F)cccc1Cl 223502635 HRJZNUFZSHLOCZ-LJQANCHMSA-N 390.886 3.618 0 40 GHAB COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1cc(C)ccc1C 223676062 NVHKKDJSXKEEIT-UHFFFAOYSA-N 377.462 3.678 0 40 GHAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 223903862 KQLAEHUETWEIHV-UXHICEINSA-N 377.517 3.663 0 40 GHAB Cc1cc(OCC(=O)NCCOc2ccc(F)cc2)cc(C)c1Br 224244902 UHERNGNLYNQQBX-UHFFFAOYSA-N 396.256 3.779 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 224630527 WFJDKGRYTFIRJA-QFIPXVFZSA-N 396.531 3.953 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCc1ccccc1CN1CCCC1 224779642 HHQXCFDSJSLNER-UHFFFAOYSA-N 378.925 3.555 0 40 GHAB CCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc2ccccc2c1 225047071 IUBLSMFXMOFVRH-UHFFFAOYSA-N 399.468 3.607 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)cc1C 225488822 QRVIBWDJXDNIJC-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)[C@H]3CCCO3)CC2)n1 257226204 FJQFACDMEYHYAX-LJQANCHMSA-N 384.455 3.553 0 40 GHAB CCCOc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)c3ccccc3)CC2=O)cc1 408706582 BWZWOFFJGQTSSQ-MJGOQNOKSA-N 380.488 3.748 0 40 GHAB O=C(NCc1ccc(-c2ccccc2)o1)[C@H](c1ccccc1)N1CCC(O)CC1 543255088 HRHJYPTXOWLXSU-QHCPKHFHSA-N 390.483 3.761 0 40 GHAB O=C(Nc1ccc(OC2CCCC2)nc1)N1CC[C@](CO)(c2ccccc2)C1 570099782 WVHFBQSPXQPJCJ-QFIPXVFZSA-N 381.476 3.571 0 40 GHAB C[C@H](NC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccnc(O)c1 655982833 JRNWMSWMGSQBAU-SFHVURJKSA-N 394.519 3.546 0 40 GHAB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4cc(C5CC5)no4)C3=O)ccc2c1 657220061 WDBXXNKSYOBCHT-QFIPXVFZSA-N 391.427 3.681 0 40 GHAB CC[C@H](C)[C@H](C(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C)n1cnnn1 1615155190 VJVHJJHLVXOHJM-ZYSHUDEJSA-N 395.511 3.555 0 40 GHAB OC[C@]1(CNCc2c(Cl)nc3cc(Cl)ccn23)CCc2ccccc21 1657614808 JVKYHOFYLJOABZ-LJQANCHMSA-N 376.287 3.607 0 40 GHAB Oc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc3c(c2)OCCO3)c(O)c1 971252 GEKLIBMHCDGCKJ-UHFFFAOYSA-N 378.306 3.945 0 40 GHAB COc1ccc(CN2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc1OC 1277648 PZCXLRXZYLOQLL-OAQYLSRUSA-N 394.515 3.501 0 40 GHAB COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NCc2ccccc2)cc1OC 1381199 SFVGKKQFENXTCE-HXUWFJFHSA-N 395.411 3.511 0 40 GHAB COc1cc(Br)c(CC(=O)c2ccc3c(c2)OCO3)cc1OC 1611711 JMXIHWDJGRMAQC-UHFFFAOYSA-N 379.206 3.620 0 40 GHAB COC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(OC)c2)sc2c1CCCC2 1927241 OENSHJLKJCYZFO-LBPRGKRZSA-N 389.473 3.828 0 40 GHAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(SC)cc1 2502004 YOCKBBOYDHOQMI-INIZCTEOSA-N 376.503 3.622 0 40 GHAB CCCn1nc(C(=O)Nc2nc3ccc(OC)cc3s2)c2ccccc2c1=O 3479287 BMBIELKOHURHMT-UHFFFAOYSA-N 394.456 3.677 0 40 GHAB C[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(F)cc1 3510561 CUZWOMAYKKCEND-NSHDSACASA-N 399.203 3.687 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)Cc1cc(OC)c(OC)c(OC)c1 3551973 YOVLYTALVGKRPC-UHFFFAOYSA-N 379.840 3.864 0 40 GHAB CCc1ccccc1N1C(=O)C(Cl)=C(Nc2cc(OC)ccc2OC)C1=O 3953622 SRNZPSPTOBBDTI-UHFFFAOYSA-N 386.835 3.702 0 40 GHAB CCc1ccc(NC(=O)CSCC(=O)Nc2ccc(OC)cc2OC)cc1 4071040 OBWQUAFNBNYOLW-UHFFFAOYSA-N 388.489 3.577 0 40 GHAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)-c1ccccc1C2 5182002 IOOMQJJQADOWMA-UHFFFAOYSA-N 396.402 3.534 0 40 GHAB COc1cc(NC(=S)NCCc2c[nH]c3ccccc23)cc(OC)c1OC 5353965 SKFKCTKCJJFOTA-UHFFFAOYSA-N 385.489 3.723 0 40 GHAB CCCCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)OCC)cc2)cc1 6361920 BBTBQDSQTHNPHY-UHFFFAOYSA-N 391.489 3.772 0 40 GHAB CCc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)cc1 6752809 MPKUNVNKCKIXIU-NRFANRHFSA-N 377.444 3.536 0 40 GHAB CCc1ccccc1NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 6876280 PRSSTVOWFIQZLP-UHFFFAOYSA-N 380.400 3.788 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2cncc(Br)c2)cc1Cl 6886343 QKJXGWCEEZHIMY-UHFFFAOYSA-N 383.629 3.601 0 40 GHAB Cc1cccc(OCCOCCOc2cccc(/C=C3/SC(=N)NC3=O)c2)c1 6886599 RSNIHKONNDODGB-XMHGGMMESA-N 398.484 3.608 0 40 GHAB Cc1cc(N)nc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 7049337 MJBOIUVPQGOSDU-UHFFFAOYSA-N 386.477 3.530 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1-c1ccccc1 7370888 WYGJNRYFWYBCLO-CQSZACIVSA-N 396.520 3.614 0 40 GHAB Cc1ccc(-c2noc(CCC(=O)Nc3cccc(N4CCCC4=O)c3)n2)cc1 7492016 LGTFITIRJPERSM-UHFFFAOYSA-N 390.443 3.743 0 40 GHAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 7734510 WPRVZDJEKVPAPQ-WCQYABFASA-N 388.817 3.882 0 40 GHAB O=C(COc1ccc2c(c1)CCC2)OCC(=O)c1ccc(Br)s1 7778170 DIXZFJGJUWRXEB-UHFFFAOYSA-N 395.274 3.804 0 40 GHAB COc1ccc(/C=C/C(=O)NCc2ccc(CN3CCCC3)cc2)cc1OC 8406379 YJCQNDRYNBJZGQ-ZRDIBKRKSA-N 380.488 3.629 0 40 GHAB O=C1N=C(O)[C@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1c1cccc(Cl)c1 9009584 FDGFVGHNZNBHDH-LAUBAEHRSA-N 395.846 3.975 0 40 GHAB Cc1c(C)n(CCO)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 9183840 JACDFESIBFFLKA-UHFFFAOYSA-N 376.247 3.662 0 40 GHAB CC1=C[C@@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N2c2ccccc21 9341871 URWWPGYCVYYYMF-AKHDSKFASA-N 394.515 3.676 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)SC2=Nc3ccccc3[C@H]3CC=NN23)cc1 9375977 TZGKNPWDQFVEFM-AUUYWEPGSA-N 394.500 3.867 0 40 GHAB CC(C)c1ccc([C@@H]2c3c(-c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10232535 CRHMUZVZUKFNPY-LJQANCHMSA-N 385.431 3.654 0 40 GHAB COc1ccccc1CNc1nccn(-c2ccc(Br)cc2)c1=O 10273187 GKPPFKQIIBLDQX-UHFFFAOYSA-N 386.249 3.616 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1Cc1ccccc1 11582393 XPZOBDOJUUSDIU-UFYCRDLUSA-N 390.464 3.795 0 40 GHAB O=C(Cc1csc(-c2ccccc2F)n1)N1CCN(c2ccccc2F)CC1 11866135 OLTOXURTGWTJIH-UHFFFAOYSA-N 399.466 3.980 0 40 GHAB Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CCOCC4)c(Cl)c3)cc2c1 12088250 UQKBVNOYJVQDKY-UHFFFAOYSA-N 383.879 3.939 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)N1CCn2cc(C(F)(F)F)nc2C1 12116220 DAYWGSKYTLABFP-UHFFFAOYSA-N 376.382 3.748 0 40 GHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cn3)c2)cc1 12528104 MIFNKMUJYZBBJD-UHFFFAOYSA-N 395.484 3.776 0 40 GHAB C[C@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(-n2ccnc2)cc1 12547606 CGPPGHYRRVXQBX-HNNXBMFYSA-N 392.484 3.876 0 40 GHAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 12554557 HRMHWJUTBHMSCD-QFIPXVFZSA-N 387.439 3.630 0 40 GHAB COc1ccccc1-c1noc(COC(=O)c2cccnc2SC(F)F)n1 12789731 WDGGYTXUQDJPAG-UHFFFAOYSA-N 393.371 3.812 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)Cc1ccccc1Cl 12913136 IUERJROGPFXUKT-UHFFFAOYSA-N 381.863 3.984 0 40 GHAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 12989001 LOXVGKQFQCGZAR-HNNXBMFYSA-N 389.499 3.925 0 40 GHAB CCN(CC(=O)Nc1ccccc1F)CC(=O)Nc1ccccc1C(F)(F)F 13038646 WTXBWXOAKGAKHZ-UHFFFAOYSA-N 397.372 3.744 0 40 GHAB CCOC(=O)Cc1ccc(NC(=O)Nc2c(NC)c3ccccc3oc2=O)cc1 15729169 AIVGNKQEHUKFIX-UHFFFAOYSA-N 395.415 3.584 0 40 GHAB Cc1ccc(CN2C[C@@H](C(=O)NCCCSc3ccccc3)CC2=O)cc1 15940855 YCJUPOKCVSMOPD-IBGZPJMESA-N 382.529 3.642 0 40 GHAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1 16780272 BLSWWSKHMPGMEK-UHFFFAOYSA-N 386.517 3.773 0 40 GHAB C[C@@H]1CN2c3cc(Cl)ccc3CC3(C(=O)CC(C)(C)CC3=O)[C@@H]2[C@@H](C)O1 16957423 MENIYLNVAVZYIW-VPZZIHKRSA-N 375.896 3.823 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccc(Cl)c(Cl)c2)cc1 17079223 JQIGUDXCGYOLLQ-UHFFFAOYSA-N 388.272 3.577 0 40 GHAB COC(=O)C[C@H](NC(=O)c1cc(=O)c2cc(C)ccc2o1)c1ccc(Cl)cc1 17587579 DXTTZIKGUAHZFD-INIZCTEOSA-N 399.830 3.789 0 40 GHAB COc1cccc(CN(C)C2CCC3(CC2)CNCc2ccccc2O3)c1OC 19586467 CIXJKDGSVHFYCX-UHFFFAOYSA-N 396.531 3.999 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)NCCc3nc4cc(C)c(C)cc4[nH]3)cc2)n1 19659997 JBDRDPUEUAEOIR-UHFFFAOYSA-N 387.487 3.955 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)no2)cc1 19661059 XZBNUZJXYBCHPK-UHFFFAOYSA-N 392.390 3.986 0 40 GHAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3c3ccc(-c4ccc(N)nc4)cn3)c2c1 19688659 JDBBUJIQXUCSHQ-FQEVSTJZSA-N 398.470 3.888 0 40 GHAB CNC(=O)c1ccc(-c2ccc(CNC(=O)CCc3ccccc3)cc2)nc1C 19700758 XBMBZLOIIREKPW-UHFFFAOYSA-N 387.483 3.666 0 40 GHAB CC(C)(C)[C@H]1CCc2onc(C(=O)N3CCCN(Cc4ccccn4)CC3)c2C1 19716183 KCWAZPXUDKXJEE-KRWDZBQOSA-N 396.535 3.569 0 40 GHAB CCOc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 19943011 HWDXACNMAKCENC-KRWDZBQOSA-N 383.444 3.625 0 40 GHAB biogenic O=C(NC(Nc1ccc(Cl)cn1)(C(F)(F)F)C(F)(F)F)c1cccnc1 19944257 CZCDTOIOTFNUGV-UHFFFAOYSA-N 398.694 3.793 0 40 GHAB CCOC(=O)c1cccc(NC(=O)CSc2ccc(OC)c(OC)c2)c1C 20460241 AXQNYQDZXVRHHZ-UHFFFAOYSA-N 389.473 3.920 0 40 GHAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 20461018 NFFQFPXSLSJCIO-INIZCTEOSA-N 396.896 3.532 0 40 GHAB CCc1ccc2c(COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc(=O)oc2c1 21511175 UBFANSXUDGIYMR-UHFFFAOYSA-N 399.487 3.683 0 40 GHAB CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2ccccc2c1=O 22056380 RBAXCFFSCJOAQE-LSDHHAIUSA-N 381.501 3.774 0 40 GHAB CCc1cccc2c(CNC[C@H](c3cccs3)N3CCN(C)CC3)c[nH]c12 22809905 DIKNHGPJAKTYFY-HXUWFJFHSA-N 382.577 3.870 0 40 GHAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1cccs1 23003728 LNQASLGNCBADAR-PBHICJAKSA-N 380.469 3.786 0 40 GHAB Cc1cc(C)c2nc(N(CCn3cccn3)C(=O)c3cc(C)on3)sc2c1 23144845 GGFYUAJODMPOHB-UHFFFAOYSA-N 381.461 3.753 0 40 GHAB Cc1ccc(N(Cc2ccccc2)C(=O)Cn2c(=O)cnc3ccccc32)cc1 23294776 UOZAMKNDDPOCTE-UHFFFAOYSA-N 383.451 3.938 0 40 GHAB O=C(CCCN1C(=O)c2ccccc2C1=O)OCc1ccc(F)cc1Cl 23562363 OUAMPVJUCVMQHM-UHFFFAOYSA-N 375.783 3.599 0 40 GHAB COCCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1 24673608 ZOHKQUXANHWSGU-UHFFFAOYSA-N 396.516 3.939 0 40 GHAB CC(C)COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1Cl 30187968 QGZYHMWOIKPEHF-UHFFFAOYSA-N 396.896 3.999 0 40 GHAB CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cccc(COC)c3)c2)c1C 31390336 ZIYDFFYGSLSEDJ-UHFFFAOYSA-N 393.443 3.756 0 40 GHAB CCc1c(C)sc2nc(N(CC)CCO)n3nc(-c4ccccc4)nc3c12 32088211 WSFHADXHMHUQMZ-UHFFFAOYSA-N 381.505 3.695 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1 32744972 GNAZYZOILJLZFL-FQEVSTJZSA-N 377.481 3.811 0 40 GHAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1ccc(N2CCOCC2)cc1 33026423 AGQIWYOEKGNEDL-UHFFFAOYSA-N 378.881 3.840 0 40 GHAB COc1cc(/C=C2\SC(=N)NC2=O)ccc1OC(=O)c1ccccc1Cl 33474250 BHSMJDOPXRHPRG-DHDCSXOGSA-N 388.832 3.706 0 40 GHAB Cc1c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cnn1C(F)F 36614684 ANJVYJPRTFNGIT-UHFFFAOYSA-N 391.443 3.978 0 40 GHAB Cc1c2c(=O)n(-c3nc4ccccc4s3)nc-2cc(O)n1Cc1ccccc1 37867936 OGCYDBPMFIEZMP-UHFFFAOYSA-N 388.452 3.811 0 40 GHAB Cc1ccccc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 39199095 ZWESRNDDMDTATR-SFQUDFHCSA-N 384.432 3.600 0 40 GHAB O=C(Nc1cccc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)c1)c1ccco1 40088121 IVMALPMMUFGXJA-LJQANCHMSA-N 393.374 3.803 0 40 GHAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc2c(c1)OCCCO2 40106867 FOJSDPKWXSYDNX-UHFFFAOYSA-N 376.412 3.965 0 40 GHAB CN(CCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)c1ccc(F)c(F)c1 40155828 KOQPQFCFOVEBJF-UHFFFAOYSA-N 391.443 3.608 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 48344019 VGJZHUONDXHFDB-UHFFFAOYSA-N 399.495 3.574 0 40 GHAB CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 48366209 LDPZMXXMBPDEJB-UHFFFAOYSA-N 399.266 3.818 0 40 GHAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(CN2CCCCC2=O)c1 50474551 PZIZKHTXYAQGNL-UHFFFAOYSA-N 390.487 3.750 0 40 GHAB CC[C@H](C)C(=O)Nc1cccc(CNc2cc(C(F)(F)F)nc3ncnn23)c1 52358096 NPUBABFDHAJJDE-NSHDSACASA-N 392.385 3.740 0 40 GHAB C[C@@H](c1nc(C2CC2)no1)S(=O)(=O)Cc1csc(-c2cccs2)n1 55202222 BZDZQHNXVBVBSF-VIFPVBQESA-N 381.504 3.808 0 40 GHAB NC(=O)[C@H](CNC(=O)c1cc2c(s1)CCCCCC2)Cc1ccc(F)cc1 58153636 VMSVSGBGAJDOPG-INIZCTEOSA-N 388.508 3.620 0 40 GHAB C[C@H](NCc1cccc(OCc2ccccn2)c1)c1nnc2n1CCCCC2 69419558 RYBJICUSKUMMIC-KRWDZBQOSA-N 377.492 3.829 0 40 GHAB CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 72067206 FEHYFWKMQZIASV-LBPRGKRZSA-N 376.400 3.954 0 40 GHAB CCN1CCCN(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 72293944 AEPJYMYMHDAUMK-UHFFFAOYSA-N 397.363 3.690 0 40 GHAB O=C(c1n[nH]c2c1CCC2)N1CCC(c2nccnc2Oc2ccccc2)CC1 72362659 VHKSGQYQJBHHQM-UHFFFAOYSA-N 389.459 3.501 0 40 GHAB Cc1nc(CC(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)cs1 72362834 WPYJOTOJYIDGBD-UHFFFAOYSA-N 394.500 3.983 0 40 GHAB CC(=O)N1CCC(N2CCC[C@@H]2c2nc(C)cc(Oc3ccccc3F)n2)CC1 72384364 GSIPWOHKWJRXBJ-LJQANCHMSA-N 398.482 3.864 0 40 GHAB O=C1CSc2ccc(NC(=O)C3(c4cccc(F)c4)CCOCC3)cc2N1 84372071 XMQBTORIWJVJAB-UHFFFAOYSA-N 386.448 3.557 0 40 GHAB COc1ccccc1OCC(=O)NCc1ccc([C@@H](O)c2cccs2)s1 90613598 FPYSZRNJOIKBQD-IBGZPJMESA-N 389.498 3.595 0 40 GHAB CC(=O)c1ccc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c(F)c1 95464468 GVLGBKHVKULRSH-HOTGVXAUSA-N 398.478 3.568 0 40 GHAB Cc1cc(C)c(S(=O)(=O)n2c(C)nc3ccccc32)cc1Br 95946399 NZPKPBDAUXVJFP-UHFFFAOYSA-N 379.279 3.961 0 40 GHAB O=C(NC1CCCC1)[C@H]1CC2(CCN(c3cnccn3)CC2)c2ccccc21 96079359 IXGMLUNJKOZNHK-IBGZPJMESA-N 376.504 3.561 0 40 GHAB Cc1noc(C)c1CCC(=O)NCC1(Cc2nnc3ccccn23)CCCCC1 96118155 SRLIRTWRTFZWPS-UHFFFAOYSA-N 395.507 3.576 0 40 GHAB CC(C)CC(=O)N1CCC2(CC1)C[C@H](CC(=O)NCC1CC1)c1ccccc12 96241997 OIABWYVKMKHGGB-IBGZPJMESA-N 382.548 3.997 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccncc2)CC1 100738971 UFYAFKDMWKPDSR-FPAYPSAMSA-N 393.535 3.651 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3N=NN(c4cccc(C(F)(F)F)c4)[C@H]3C2=O)cc1F 101260569 YRJWCHUSEKAYJA-LSDHHAIUSA-N 392.312 3.651 0 40 GHAB CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)C1 103929902 HKTOYYIOKOVEKO-OLZOCXBDSA-N 386.464 3.603 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1 113943418 BYLRMFXSEXZTOB-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB O=C(CSCc1ccccc1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206840068 WSHQKJHPWDKYGU-SFHVURJKSA-N 395.484 3.595 0 40 GHAB Cc1ccc(-c2nnc(-c3cc4c(N5CCOCC5)ncnc4s3)o2)cc1 216604315 SOCGIHSYQFIRKX-UHFFFAOYSA-N 379.445 3.553 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1 222944041 ULSBCVXEUDACIO-JOCHJYFZSA-N 396.531 3.748 0 40 GHAB COc1cccc(-c2noc(CNC(=O)C3(c4ccccc4)CCCC3)n2)c1 223090706 LGIBFFJMLLVGJU-UHFFFAOYSA-N 377.444 3.873 0 40 GHAB CCc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 224880193 ZCTZCRLFYPADKO-UHFFFAOYSA-N 384.295 3.845 0 40 GHAB CCc1ccccc1N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c1ccccc1 225186647 POSOFAOVOSZFJM-KRWDZBQOSA-N 388.533 3.605 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(C)cc1 225412152 MNPIFZWKAQPSOZ-INIZCTEOSA-N 388.508 3.531 0 40 GHAB CC(C)C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245228194 JSJBXROAMHVGOI-XRXFAXGQSA-N 394.515 3.546 0 40 GHAB Cc1nc(-c2c(C)noc2C)cc([C@@H]2CCCN2C(=O)CC2CCOCC2)n1 257266003 MBEZEVQYJVSWOY-IBGZPJMESA-N 384.480 3.537 0 40 GHAB CNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CC2)CC1 257310465 UFDORUPFKCBPPI-UHFFFAOYSA-N 382.529 3.722 0 40 GHAB Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c(C)o1 306139334 SUUGNHZGLZCFGZ-HXUWFJFHSA-N 383.473 3.637 0 40 GHAB Cc1ccc(-c2cnc3n2C2(CCN(C(=O)c4ccco4)CC2)COC3)cc1 306143752 YLJFAQWQBBBZSV-UHFFFAOYSA-N 377.444 3.613 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1NC(C)=O 408556039 BYCNHCVNZNFNME-UHFFFAOYSA-N 380.491 3.566 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)c1sc2nccn2c1C)N1CCCCC1 535715041 PQARZFHRLKWKIN-QGZVFWFLSA-N 398.532 3.670 0 40 GHAB C[C@@H]1CN([C@@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CC[C@H]1c1ccccc1 567595406 GONUCHLITNCYOQ-LLGFUMIMSA-N 380.488 3.515 0 40 GHAB CC(C)Cn1cc(NC(=O)NC[C@@H]2Cc3ccccc3CO2)c(C(F)F)n1 606445942 IRZRHLYGMMCNDH-HNNXBMFYSA-N 378.423 3.740 0 40 GHAB CCOC(=O)[C@H]1CSCCN1C(=O)c1csc(-c2ccccc2Cl)n1 608936271 MFDNIQMSSNKRDU-CQSZACIVSA-N 396.921 3.584 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618255103 LECIEAMFTBMDHX-KBPBESRZSA-N 397.866 3.903 0 40 GHAB O=C(NCC[C@@H]1CC1(F)F)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 621471673 YKSCVWYDKSCMFA-QGZVFWFLSA-N 399.441 3.985 0 40 GHAB Cc1ccc(-n2ccn(Cc3nc(-c4ccccc4)oc3C)c(=O)c2=O)c(C)c1 1889008720 KWOOVCACAVSLJP-UHFFFAOYSA-N 387.439 3.628 0 40 GHAB CSc1ncccc1C(=O)N1CCC(COc2ccncc2Cl)CC1 1889139346 PBTXXABABDMGKO-UHFFFAOYSA-N 377.897 3.783 0 40 GHAB O=C1CC2(CCN(Cc3ccc4ccccc4n3)CC2)Nc2ccccc2CN1 2037981089 UJFVEGHGVRIJLO-UHFFFAOYSA-N 386.499 3.701 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(C(=S)NC[C@H]3CCCO3)C3CCCC3)cc2c1 1224159 DVYZYJVJWZHKPJ-LJQANCHMSA-N 399.560 3.635 0 40 GHAB O=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)NC2CCCCC2)CC1 1365932 DGOVGMSGOUZASD-UHFFFAOYSA-N 377.916 3.711 0 40 GHAB CC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 4995879 WRXKQDXJMLROFT-CQSZACIVSA-N 394.924 3.758 0 40 GHAB Cc1ccc(OCC(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 6502151 KGJBTOFJPNZEGT-UHFFFAOYSA-N 386.407 3.813 0 40 GHAB Cc1cc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(C)c1 24606419 BOAQMNHRYZSTBG-MRXNPFEDSA-N 392.546 3.713 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(C)cc3)nnc12 12534678 XQRIMJUTOPGVEJ-UHFFFAOYSA-N 392.484 3.738 0 40 GHAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2)c1 8414921 OSCQLKKFGKOLOF-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB O=C(CCn1cnc2ccccc21)NCc1ccccc1CN1CCCCC1 12595265 ZLMNHUHYDRYQGC-UHFFFAOYSA-N 376.504 3.729 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(Br)c2)cc1C 20029908 XZEGUSHWIJGUNU-LBPRGKRZSA-N 384.295 3.806 0 40 GHAB COC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 106707012 RVZTVZQVYIRQBQ-WQRHYEAKSA-N 397.452 3.783 0 40 GHAB COc1ccc(C)cc1CN(C)C(=O)Cn1c(S)nnc1-c1ccc(C)cc1 9918828 NKVKVPXZFNLKSK-UHFFFAOYSA-N 396.516 3.518 0 40 GHAB Cc1nn(Cc2cccc(C(=O)Nc3ccon3)c2)c(C)c1Br 27970735 YTZCNLXQYOTOSJ-UHFFFAOYSA-N 375.226 3.551 0 40 GHAB C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1[C@@H]1CCN(CCc2ccccc2)C1 108176497 VGIRGANCIPHTAP-QKNQBKEWSA-N 387.568 3.633 0 40 GHAB CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 26172931 RLVMZEQCHVFJEJ-UHFFFAOYSA-N 390.524 3.993 0 40 GHAB COc1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ncccc2C)cc1OC 100769089 CBKQIYAWIBYUME-RTBURBONSA-N 382.504 3.527 0 40 GHAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccccc2)cc1OC 35685287 OSQGLTZXXSJTLQ-INIZCTEOSA-N 392.415 3.739 0 40 GHAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccc2c(c1)OCO2)C3 58090617 XQEXLWNAMIPLCK-UHFFFAOYSA-N 379.412 3.799 0 40 GHAB biogenic CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2onc(C)c2C)CC1 100157750 BPHYEZMIMIXGIY-ZIFCJYIRSA-N 398.507 3.926 0 40 GHAB COc1ccc(CN(Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)c(OC)c1 53536270 PZERTMSSSVQXRM-SFHVURJKSA-N 381.476 3.761 0 40 GHAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccc(F)cc1F 3289326 DUNTZLIEDRZPIL-UHFFFAOYSA-N 395.361 3.991 0 40 GHAB CSc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 57416464 FHBKEWFCDLDBJF-ZDUSSCGKSA-N 392.883 3.870 0 40 GHAB CCN(CC)CCOC(=O)c1ccc(NC(=O)COc2ccc(C)cc2)cc1 2061794 OJRGQPWUNQZFJY-UHFFFAOYSA-N 384.476 3.511 0 40 GHAB CCN(CC)C(=O)c1ccc(CNC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 58265003 KKDFOVORHALGGB-OAQYLSRUSA-N 379.504 3.868 0 40 GHAB C[C@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 108833139 MHJOGDJMUSFXMV-ACMLMGIUSA-N 381.419 3.774 0 40 GHAB CC(C)OCCCNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2150230 NVCALGFETCUIJQ-UHFFFAOYSA-N 395.455 3.770 0 40 GHAB biogenic COc1cc2c(cc1OC)-c1cc(Oc3ccc(Cl)cc3)nc(=O)n1CC2 2229837 BIRFQPRMCLRGRI-UHFFFAOYSA-N 384.819 3.929 0 40 GHAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)cc(=O)c2c1 28289820 DATOTNDHMCTUCW-IBGZPJMESA-N 378.472 3.697 0 40 GHAB Clc1ncn(C23C[C@@H]4C[C@H](CC(c5nnc(-c6ccccn6)o5)(C4)C2)C3)n1 102444012 NTUHJLXLSWUPTE-NYYJTOMGSA-N 382.855 3.624 0 40 GHAB O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)NC3CCCCC3)ccc21 28206512 JTAPTLRTJBPZFE-UHFFFAOYSA-N 384.501 3.501 0 40 GHAB CCN1CCC[C@@H]1CN/C=C1/C(=O)N(c2cccc(C)c2)C(=O)c2ccccc21 2350723 MXYQRJPPABRVJK-NDWLXSOOSA-N 389.499 3.597 0 40 GHAB Cc1ccc(S(=O)(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1 24215187 MROXTSMCDPOLAE-UHFFFAOYSA-N 375.881 3.587 0 40 GHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1ccccc1OC(F)(F)F 36705659 XRGUOIUDZHSQQQ-SJKOYZFVSA-N 381.350 3.772 0 40 GHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCN(c2ccccc2F)CC1 11500583 NCBFKISPZWBWPL-UHFFFAOYSA-N 397.425 3.901 0 40 GHAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccccc1N1CCc2ccccc21 48362537 QLYHGEUWOFZSNI-MRXNPFEDSA-N 378.476 3.513 0 40 GHAB CCCOc1ccc(-c2nonc2NC(=O)COc2ccc(OC)cc2)cc1 12062746 XYSJYZMIBLVTJS-UHFFFAOYSA-N 383.404 3.552 0 40 GHAB Cc1cc(C(F)(F)F)nn1Cc1nc2c3c4c(sc3ncn2n1)CCCC4 2796697 NWTSSQLQENFOTK-UHFFFAOYSA-N 392.410 3.790 0 40 GHAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)Nc1cccc(Cl)c1 12297072 FQCVCKHBAXAHHD-UHFFFAOYSA-N 382.851 3.528 0 40 GHAB biogenic COc1ccc(CCCN(C)C(=O)c2cc3ccccc3oc2=O)cc1OC 12888149 IUHZIRUWRZMACM-UHFFFAOYSA-N 381.428 3.515 0 40 GHAB Cc1nnc(SCC(=O)NCc2ccccc2Cl)n1Cc1ccccc1 3411477 CKTWNSJXQDCVNL-UHFFFAOYSA-N 386.908 3.697 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)NC(C)C)n1-c1ccc(C)cc1 3401681 YTAPSUOLGBPMSO-UHFFFAOYSA-N 396.516 3.868 0 40 GHAB CCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)C1=O 3428378 MDKRRBLCYDVPOT-IBGZPJMESA-N 379.888 3.868 0 40 GHAB COc1ccc(Br)c(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1 3519564 WVJIILHQHIJSSB-UHFFFAOYSA-N 388.217 3.979 0 40 GHAB O=C(COc1cccc(Br)c1)Nc1ccc(N2CCCC2=O)cc1 12994923 QFWBECOSBCIGEN-UHFFFAOYSA-N 389.249 3.593 0 40 GHAB O=C(c1c(-n2cccc2)sc2c1CCCC2)N1CCN(c2ccccn2)CC1 9048585 KFSLDKCHTWHSDA-UHFFFAOYSA-N 392.528 3.775 0 40 GHAB Cc1c(C)n(-c2nccs2)c2ncn3nc(COc4ccccc4)nc3c12 9135253 CRQFILOLAOFSAN-UHFFFAOYSA-N 376.445 3.721 0 40 GHAB CC(=O)Nc1ccc(C(=O)N(C2CC2)C(C)(C)C(=O)Nc2ccc(F)cc2)cc1 6158796 GVRNTSBWTGUAEL-UHFFFAOYSA-N 397.450 3.806 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 6249046 NRVCJOPWRWBHAQ-FQEVSTJZSA-N 391.515 3.707 0 40 GHAB CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 6379423 VLCZNLDIFPJQHE-OWBHPGMISA-N 376.412 3.608 0 40 GHAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(-c2ccccc2F)o1 9217123 XNOJRGHNUBUARQ-XETPZZHUSA-N 390.414 3.538 0 40 GHAB C[C@@H](N[C@H](C)c1ccccc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1 14157553 XPXSNQFBFHDLNA-QZTJIDSGSA-N 385.939 3.724 0 40 GHAB C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(Cl)c(Cl)c1 14184404 FZKOSOWTCIARJA-GFCCVEGCSA-N 393.270 3.986 0 40 GHAB Cc1ncc(Cl)c(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)n1 84290526 SNXKYXHKDRHKNC-UHFFFAOYSA-N 392.890 3.931 0 40 GHAB CN(C)c1nc(-c2ccccc2)c(CN2CC[C@H](Oc3cccnc3)C2)s1 93691692 VULNTYNUUGYUET-SFHVURJKSA-N 380.517 3.924 0 40 GHAB O=C(NCc1ccccc1)c1ccccc1NS(=O)(=O)c1cccc(F)c1 6551211 PVMUVIISQBZOIN-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)c2nn(CCC)c(=O)c3ccccc23)cc1 6508353 WVFCPNSJQHQMMF-UHFFFAOYSA-N 393.443 3.626 0 40 GHAB Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 4679016 GHIATHWMNWBTAR-UHFFFAOYSA-N 377.744 3.944 0 40 GHAB Cn1ccnc1[C@H](NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1F 14700587 DRHQPODCVYDGSE-HXUWFJFHSA-N 397.475 3.555 0 40 GHAB CCOC(=O)Cc1c(C)nc2cc(-c3cccc(Br)c3)nn2c1C 4723629 UXUSWUCVZZHHRQ-UHFFFAOYSA-N 388.265 3.881 0 40 GHAB CCc1ccccc1NC(=O)[C@H]1Sc2nnc(CC)n2N[C@@H]1c1ccccc1 6811834 XQZMPXKNBNHZFT-MOPGFXCFSA-N 393.516 3.801 0 40 GHAB COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@H]3c3ccccc3)c2c1 9421572 ZBAQGZWWMHGXAZ-JOCHJYFZSA-N 386.455 3.996 0 40 GHAB COC(=O)/C(=C\Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 67340295 LTTNXPWJNRZEFO-OQLLNIDSSA-N 387.791 3.518 0 40 GHAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(c2ccccc2F)CC1 15631374 BBDUHJFTVZCGSE-UHFFFAOYSA-N 390.462 3.851 0 40 GHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/c1ccc2ccccc2n1 7586829 XQJDBQQHSURIJR-ROJDOSBLSA-N 387.892 3.923 0 40 GHAB CCCNC(=O)[C@H](C)OC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 7633057 ICPXEINCQMEMCB-HNNXBMFYSA-N 393.439 3.840 0 40 GHAB COc1cc(C(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1Br 16644118 QTCYAKUNONCAGU-UHFFFAOYSA-N 393.237 3.677 0 40 GHAB CCN(CC)C(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 9581862 BQVTXSAODOVJPJ-QFIPXVFZSA-N 375.472 3.890 0 40 GHAB C[C@@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 8225327 WRCASDGUTPZVFF-RUNBWSAHSA-N 379.865 3.763 0 40 GHAB O=C(COc1ccc2c(=O)c(Oc3ccc(F)cc3)coc2c1)N1CCCC1 8244148 RMPJIJISFIFDBI-UHFFFAOYSA-N 383.375 3.726 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 8231680 PGOGVOKZHZOOIU-UHFFFAOYSA-N 390.443 3.969 0 40 GHAB CC(C)c1cccc(C(=O)N2CCO[C@]3(CCCC[C@@H]3N3CCCC3)C2)c1O 306124318 BMOWRXCBCTWGEJ-NZQKXSOJSA-N 386.536 3.765 0 40 GHAB O=C(Cn1c(=O)n2nc(-c3ccc(F)cc3)nc2c2ccccc21)c1ccccc1 69350505 FTNJIUGCTTWHNI-UHFFFAOYSA-N 398.397 3.733 0 40 GHAB Cc1ccc(CCC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1 8775286 IZHKZOGMJCPWAQ-UHFFFAOYSA-N 389.293 3.787 0 40 GHAB CC[C@H](NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1)c1ccc(OC)cc1 84734114 UXPIKHGWKHDFHA-RBUKOAKNSA-N 385.485 3.984 0 40 GHAB COc1ccc(-c2cc3c(=O)n(Cc4ccccc4Cl)ccn3n2)cc1OC 64977530 LGIHSWHQAIXLOV-UHFFFAOYSA-N 395.846 3.882 0 40 GHAB COC(=O)c1c(NS(=O)(=O)c2c(C)cc(C)cc2C)sc2c1CCC2 408617523 GUNSEPRCVJQWNC-UHFFFAOYSA-N 379.503 3.749 0 40 GHAB CC1(Cn2cc(C(=O)NC3(c4ccc(C(C)(C)C)cc4)CCCC3)nn2)COC1 545344270 DJOQAGTWIYSVHW-UHFFFAOYSA-N 396.535 3.811 0 40 GHAB COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1Cl 408917500 VTFKDFWYNOBMGN-VGOFMYFVSA-N 393.226 3.761 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2N1Cc1cccs1 306134710 NVTXRUCEZYFROX-UXHICEINSA-N 381.476 3.770 0 40 GHAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(CC(=O)O)C3=O)o2)cc1 409130238 KXQAAVKJYLUUFM-MDWZMJQESA-N 375.427 3.860 0 40 GHAB COc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 61997034 NBWDOUOXINLXBM-HNNXBMFYSA-N 377.868 3.928 0 40 GHAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3ccccc3F)C[C@H]21 306137115 QLYNBRQTCOZIBL-DENIHFKCSA-N 394.471 3.643 0 40 GHAB COC(=O)COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C 408584430 PRCQODSAXWHACK-UHFFFAOYSA-N 391.489 3.779 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1C(C)C 408679549 NRDBJEFQBOZURC-UHFFFAOYSA-N 390.505 3.758 0 40 GHAB O=C(CCCCCn1sc2ccccc2c1=O)N=c1[nH]c2ccccc2[nH]1 36359518 JWLUWEIZQMUSAW-UHFFFAOYSA-N 380.473 3.560 0 40 GHAB COCCc1ncc(CN2CCC[C@@H]2c2cccc(Nc3nccs3)n2)cn1 72375771 XXYWMPJXJITSKO-QGZVFWFLSA-N 396.520 3.598 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@@H]2CCCCN2C(=O)c2cnn(C)c2C)n1 72384051 PZRJGDDMSXCPSO-IBGZPJMESA-N 391.475 3.987 0 40 GHAB O=C(O)c1ccc2c(c1)c([C@H](C(=O)O)N1CCCC1)cn2Cc1ccccc1 36366406 RDAZLQNTOPAOCO-HXUWFJFHSA-N 378.428 3.609 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 32893184 JGKZKPXZNSDWHQ-INIZCTEOSA-N 399.447 3.870 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1 225422669 UFTBFTYTUCRHSO-JOCHJYFZSA-N 396.531 3.880 0 40 GHAB CCOc1c(Cl)cc(NC(=O)N2CC[C@@H](c3n[nH]c(C)n3)C2)cc1Cl 570028286 FBOKRCZWVHRGQD-SNVBAGLBSA-N 384.267 3.840 0 40 GHAB COc1cccc(-c2noc(CNC(=O)COc3cc(C)ccc3C(C)C)n2)c1 224694359 GKBJDXZGSYFGCO-UHFFFAOYSA-N 395.459 3.872 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCC1=CCCCC1 224101778 VYKZVONMJOOVQZ-UHFFFAOYSA-N 390.549 3.646 0 40 GHAB COc1ccc2c(c1)[C@H](NC(=O)CCc1ccc3c(c1)OCO3)CC(C)(C)O2 222653842 XMIVHJSPWRMSPJ-QGZVFWFLSA-N 383.444 3.775 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 40020261 NOLXNQXPMBGVBV-GFCCVEGCSA-N 386.448 3.577 0 40 GHAB CCN(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cc(C)ccc1C 225933534 ZBVRMZCKCGXVDD-UHFFFAOYSA-N 394.924 3.915 0 40 GHAB CCOc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cn1 44833734 JNLYUHMKUWDRCA-UHFFFAOYSA-N 394.500 3.747 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 222538498 ZIYUXHBUXBZSAW-HNNXBMFYSA-N 390.936 3.986 0 40 GHAB Cc1ccc(F)cc1C1(c2noc(-c3ccnc(O[C@@H]4CCOC4)c3)n2)CC1 576386302 JNAZDQFIUWMIMB-MRXNPFEDSA-N 381.407 3.827 0 40 GHAB CCn1ccnc1[C@@H]1CCCCN1C(=O)N=c1cc(-c2ccccc2F)o[nH]1 576927552 LZZVQHQQCNJWGC-INIZCTEOSA-N 383.427 3.878 0 40 GHAB COc1ccccc1CN1C[C@H](OCc2nc3cc(C)c(C)cc3[nH]2)[C@H](F)C1 96112339 WRMIIEMLKLKOBN-UTKZUKDTSA-N 383.467 3.927 0 40 GHAB biogenic,in-vitro CCCC[C@@H](CC)CNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 260850786 QSZIGLAWUWHDNQ-ZWKOTPCHSA-N 382.570 3.791 0 40 GHAB Clc1cc(Cl)cc(-c2nc(CN3CCN(C[C@@H]4CCOC4)CC3)co2)c1 625216109 DHXZMEBCZRGFFT-AWEZNQCLSA-N 396.318 3.803 0 40 GHAB COC(=O)NCc1ccc(Nc2ccc3nnc(-c4ccc(F)cc4)n3n2)cc1 1650755349 NFDVGJRLUUXQMN-UHFFFAOYSA-N 392.394 3.530 0 40 GHAB CO[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 96388537 SFDXRUCLSBEXCU-HNNXBMFYSA-N 377.359 3.511 0 40 GHAB C[C@@H]1CC(=O)O[C@@H](C(=O)c2ccccc2)N1c1ccc(C(F)(F)F)cc1N 5550807 LQUBXNYLNJMAAV-ZMZPIMSZSA-N 378.350 3.638 0 40 GHAB COc1cccc(N2CCCN(C(=O)c3[nH]nc(-c4ccccc4)c3C)CC2)c1 12147468 SDJSJHLXUFGOOY-UHFFFAOYSA-N 390.487 3.746 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)C4CCCC4)C3)cc2n1 12276548 UDWBMIJMDWBBNQ-ZDUSSCGKSA-N 380.414 3.817 0 40 GHAB OC1(c2cccnc2)CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 12363697 JSWWNQABKAMUNF-UHFFFAOYSA-N 375.472 3.539 0 40 GHAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(N)=O)cc2)cc1 12554559 HRMHWJUTBHMSCD-JOCHJYFZSA-N 387.439 3.630 0 40 GHAB COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c1 15641765 NBUOQUYQWKPFIX-UHFFFAOYSA-N 393.409 3.718 0 40 GHAB CC(C)c1nc2cc(C(=O)N3CCC(c4cc5nccnc5[nH]4)CC3)ccc2[nH]1 19451501 IMSQNXNJVPOWDA-UHFFFAOYSA-N 388.475 3.977 0 40 GHAB CC(C)c1[nH]c2ncccc2c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19451526 VKCHLDYCFSCYIG-UHFFFAOYSA-N 392.503 3.733 0 40 GHAB COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)cc1 19458925 XEFHOPVEJCCHJQ-AWEZNQCLSA-N 377.444 3.901 0 40 GHAB COc1ccccc1NC(=O)c1cc([C@@H]2CCCN(Cc3cccnc3)C2)no1 19571320 JUOOGYMPAMNLHC-QGZVFWFLSA-N 392.459 3.710 0 40 GHAB Cc1nn(C[C@H](C)C(=O)N2CCCC[C@H]2CCN2CCCC2)c(C)c1Cl 19578150 AFDRAOUHPXXHOV-YJBOKZPZSA-N 380.964 3.656 0 40 GHAB Cc1cc2nc(C)c(CCC(=O)N3CCc4[nH]c5ccccc5c4C3)c(C)n2n1 19657208 VNRQTCVJIKBDGC-UHFFFAOYSA-N 387.487 3.653 0 40 GHAB Cc1cc(C)n(CCc2nnc(NC(=O)C(C)(C)c3ccc(F)cc3)s2)n1 19665928 XMBGKMURBQDOLI-UHFFFAOYSA-N 387.484 3.650 0 40 GHAB Cc1ccc(-c2cc(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)[nH]n2)cc1 19718252 AONAWNYLEAQQAD-UHFFFAOYSA-N 382.807 3.622 0 40 GHAB CS(=O)(=O)c1cc(Cl)cnc1C1CCN(Cc2cccc(F)c2)CC1 19573365 HLWJJJXGYBRZCG-UHFFFAOYSA-N 382.888 3.657 0 40 GHAB Cc1nc(S[C@H](C)C(=O)Nc2cccc(F)c2)n(C[C@@H]2CCCO2)c1C 18596370 QDBZVKUXSRQLFA-PBHICJAKSA-N 377.485 3.937 0 40 GHAB CC[C@@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCC(C)(C)C2CC2)C1 1727299409 FLVWKXYRDJOCDH-QFIPXVFZSA-N 387.572 3.967 0 40 GHAB Cc1ccc(Oc2ccc(NC(=O)COc3ccc(C(N)=O)cc3)cc2)cc1 23512223 JARPDFZKNSMWTJ-UHFFFAOYSA-N 376.412 3.904 0 40 GHAB COc1cc(CC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cc(OC)c1OC 24832285 IFPXCZWCVNJFSY-LBPRGKRZSA-N 395.402 3.734 0 40 GHAB COc1cccc2cc(C(=O)NCCc3c(C)[nH]c4ccc(F)cc34)c(=O)oc12 1440666 JONPXIJNJRWSOR-UHFFFAOYSA-N 394.402 3.703 0 40 GHAB CCOC(=O)COc1ccccc1C1=NN(C(C)=O)[C@H](c2ccc(CC)cc2)C1 5043632 RXIIPPTZVVTILL-NRFANRHFSA-N 394.471 3.889 0 40 GHAB O=C(CCc1ccccc1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 5182121 LCIHICOMOCNVJG-UHFFFAOYSA-N 387.455 3.856 0 40 GHAB COc1cc([C@@H]2CC(=O)Nc3nc(N)sc32)ccc1OCc1ccccc1F 12419590 UOZLTYULZBEWIW-ZDUSSCGKSA-N 399.447 3.926 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1ccc2nsnc2c1 1775977252 HRNSNMVNJNRFGE-QGZVFWFLSA-N 381.482 3.883 0 40 GHAB Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3nncn3c2)cc1F 49408648 HUZJVMDAZBTLQK-UHFFFAOYSA-N 396.447 3.572 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575607370 BUEKYAAJLIHTFA-ZDUSSCGKSA-N 397.262 3.867 0 40 GHAB C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC2(CC1)OCCO2 40071636 AZUFZEXAECYXBJ-LBPRGKRZSA-N 383.370 3.655 0 40 GHAB O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1C[C@@H]1CCCO1 40024915 CJVUTLGRYZUFLH-KKSFZXQISA-N 392.434 3.961 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc3cn[nH]c23)C1 40091130 RLVGAAXELGPVRD-GASCZTMLSA-N 376.460 3.933 0 40 GHAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)C(C)(C)C)c1cccc(Br)c1 40074063 OCJZRDOBAIBFOD-IUODEOHRSA-N 381.314 3.663 0 40 GHAB C[C@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 40107469 LHQSTEBNLLGNFJ-AWEZNQCLSA-N 397.441 3.810 0 40 GHAB C[C@@H]1CN(CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)C[C@@H](C)O1 20403556 MXIMKLDOCOJDRJ-HZPDHXFCSA-N 392.455 3.508 0 40 GHAB O=C(NCc1cccc(Cl)c1)c1nc(-c2ccc(Cn3ccnc3)cc2)no1 31811203 LLJPVVNRWSBEEC-UHFFFAOYSA-N 393.834 3.565 0 40 GHAB Cn1cc(C(=O)O)c(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)n1 20616449 RAWKCBSAXROTQH-UHFFFAOYSA-N 396.790 3.832 0 40 GHAB O=C(NCCCN1CCc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 32398916 JXKBODDRBYYSCE-UHFFFAOYSA-N 378.394 3.763 0 40 GHAB C[C@H](NC(=O)COc1cccc(N2CCCC2=O)c1)C12CC3CC(CC(C3)C1)C2 32765161 UISOJSAKICARJA-RNXZQOMOSA-N 396.531 3.913 0 40 GHAB CCn1c(S)nc2cc(C(=O)N[C@H](c3ccccc3)C3CC3)ccc2c1=O 102602514 XQUFHLWSNMKOCF-GOSISDBHSA-N 379.485 3.586 0 40 GHAB O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN(C(=O)C2CC2)CC1 32988600 TVBUQTPMCSVHQS-UHFFFAOYSA-N 398.890 3.613 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21822150 XRHYMRZIVREHRD-FQEVSTJZSA-N 391.559 3.841 0 40 GHAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccccc1SC(F)F 103025870 BDKYCRPRUBBDEV-RYUDHWBXSA-N 382.432 3.505 0 40 GHAB CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)C1 103929897 HKTOYYIOKOVEKO-CHWSQXEVSA-N 386.464 3.603 0 40 GHAB O=C(NCc1cccnc1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 798554 XJCMEEIBHHHLAS-UHFFFAOYSA-N 399.494 3.917 0 40 GHAB COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)cc1 1293828 QIIZYHUKXCDZQQ-UHFFFAOYSA-N 380.473 3.790 0 40 GHAB COc1cccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccoc2C)c1 1361236 XPYPJUNAWWTNSC-UHFFFAOYSA-N 398.488 3.559 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2C[C@H]2CCCO2)c1 1364609 MYMAIAIDYQFRDP-MRXNPFEDSA-N 386.521 3.682 0 40 GHAB CC1(C)Cc2c(sc3ncn4nc(-c5ccc6c(c5)OCO6)nc4c23)CO1 2345186 LVPRNZAAIOJWEB-UHFFFAOYSA-N 380.429 3.586 0 40 GHAB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(OCC)cc1 2463679 LEMKYDZNWRPRQR-RDJZCZTQSA-N 388.489 3.687 0 40 GHAB COc1ccc(C)cc1-n1nnnc1SCc1cn2cc(Cl)ccc2n1 2659306 QXZVRTWOFQTMLZ-UHFFFAOYSA-N 386.868 3.573 0 40 GHAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1F 3231715 XVCLQAYWQKZBPF-UHFFFAOYSA-N 377.586 3.976 0 40 GHAB O=C(CCC(=O)c1cccs1)OCC(=O)N1CCC(Cc2ccccc2)CC1 3275856 JZJGYWLESMBDLR-UHFFFAOYSA-N 399.512 3.736 0 40 GHAB COC(=O)c1ccc(COC(=O)COc2ccc(OCc3ccccc3)cc2)o1 3343029 KQUSXQJXUQRHPD-UHFFFAOYSA-N 396.395 3.767 0 40 GHAB CC(C)CCNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 4084529 FGAZKNHZUPTQHS-RBBKRZOGSA-N 387.483 3.800 0 40 GHAB biogenic Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCc3c[nH]c4ccccc34)ccc12 4085039 HRPMSPCQWOHEHP-OAHLLOKOSA-N 390.439 3.709 0 40 GHAB biogenic O=C(NCCCc1ccccc1)c1cc2cc(Br)ccc2oc1=O 4106889 UAZRZNPSXYAYLD-UHFFFAOYSA-N 386.245 3.918 0 40 GHAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccccc1 4163302 CTKZRGNTAQNXDM-GUDVDZBRSA-N 376.437 3.799 0 40 GHAB CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1C)C(C(=O)OC)=C(C)N2 4292263 HMYAEQJCWIGVAO-INIZCTEOSA-N 399.516 3.975 0 40 GHAB COc1ccc(OCc2nnc(SCC(=O)c3ccc(F)cc3)n2C)cc1 4519846 FBGNRIYOMSSMJO-UHFFFAOYSA-N 387.436 3.517 0 40 GHAB COc1ccc2nc(N3CCN(C(=O)/C=C/c4cccs4)CC3)sc2c1 4583423 WSBFHRLGRADJGL-FNORWQNLSA-N 385.514 3.728 0 40 GHAB C[C@@H](CC(=O)[C@@H]1CC(c2ccccc2)=NO1)C(=O)[C@@H]1CC(c2ccccc2)=NO1 4826554 MHGINERDKHNSHR-RXYZOABWSA-N 390.439 3.537 0 40 GHAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N(CC)CC 4931478 NEMAWOKQQNERLD-UHFFFAOYSA-N 385.439 3.616 0 40 GHAB CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc1OC 5533769 KKPWYJYQAWDXHH-LJQANCHMSA-N 379.412 3.765 0 40 GHAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)CSc1ccc(Cl)cc1 5897315 ZHEPZJVMDJIIPL-UHFFFAOYSA-N 394.905 3.952 0 40 GHAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(OC(F)(F)F)cc1 6085362 SBZOXULOCRPIRV-UHFFFAOYSA-N 386.757 3.949 0 40 GHAB Fc1ccc(-c2cc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)n[nH]2)cc1 6414312 HDAOPPGWGSDJLR-UHFFFAOYSA-N 396.389 3.659 0 40 GHAB O=C(c1ccc(COc2ccc(Cl)cc2)o1)N1N=CC[C@]1(O)C(F)(F)F 6829126 XQMXTWJLKIXGCK-HNNXBMFYSA-N 388.729 3.595 0 40 GHAB CCc1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)cc1 6929301 CTPURRTTWZCZFR-UHFFFAOYSA-N 386.249 3.972 0 40 GHAB O=C(Nc1ccc(F)cc1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 7400515 LGKBZFNNAKSXFC-AQTBWJFISA-N 375.363 3.709 0 40 GHAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(C)c(Cl)c1 7459166 XCZJAKFXFYOOHL-UHFFFAOYSA-N 387.798 3.594 0 40 GHAB Cc1ccc(CN(C)CC(=O)N2CCN(Cc3cccc4ccccc34)CC2)o1 7696573 WEDRDSNFFGFPMI-UHFFFAOYSA-N 391.515 3.517 0 40 GHAB COc1ccc([C@H](CNC(=O)c2ccc(NC(C)=O)cc2)N2CCCCC2)cc1 7988340 RJDOYXXIJHAGLW-QFIPXVFZSA-N 395.503 3.611 0 40 GHAB COc1ccc(-n2nc3cc(C)c(NC(=O)C(F)(F)F)cc3n2)cc1Cl 8071146 JEZUKFIGUSCCNQ-UHFFFAOYSA-N 384.745 3.892 0 40 GHAB COc1ccc(C(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)cc1 8388760 NNNWIRJHBARQDT-AWEZNQCLSA-N 383.473 3.939 0 40 GHAB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OCC)c3)NC2=S)cc1 9189170 MSVWJONASAXPNI-SFQUDFHCSA-N 398.484 3.755 0 40 GHAB COc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)NC2=S)cc1 9189361 AKXRYJUDUPXFSI-GDNBJRDFSA-N 389.274 3.720 0 40 GHAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nc2ccc(F)cc2s1 9313783 MORXVICQVJQJJZ-AWEZNQCLSA-N 377.466 3.890 0 40 GHAB Cc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 11614442 HTAPBLADXSZRNO-OAQYLSRUSA-N 390.483 3.907 0 40 GHAB COc1ccc(Cl)c2sc(N(CCCN(C)C)C(=O)c3ccno3)nc12 12443840 BERDGNDMOUPSMV-UHFFFAOYSA-N 394.884 3.545 0 40 GHAB Cc1ccc(NC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)cc1F 12782435 RCPOLBKKPCOCOE-UHFFFAOYSA-N 376.844 3.973 0 40 GHAB O=C(COc1ccccc1C(=O)N1CCCCC1)Nc1ccc(F)c(F)c1F 12803416 FSMYSTZYQFUEDY-UHFFFAOYSA-N 392.377 3.748 0 40 GHAB CCOc1cc2c(cc1NC(=O)CSc1ccccc1C(=O)O)O[C@@H](C)C2 12937283 YFRWEXKZQZDURY-LBPRGKRZSA-N 387.457 3.838 0 40 GHAB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cn1 12952716 ZBEHATZNTXPSTC-UHFFFAOYSA-N 375.384 3.623 0 40 GHAB COC(=O)c1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1 12992281 QYVHZXWTKTVBBU-UHFFFAOYSA-N 380.469 3.878 0 40 GHAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13695474 MTERZHOWYIKLRG-UHFFFAOYSA-N 376.412 3.808 0 40 GHAB CCC1CCC2(CC1)NC(=O)N(CN(C)Cc1nc3ccccc3s1)C2=O 14248650 TWRDNTKAQYZKHQ-UHFFFAOYSA-N 386.521 3.576 0 40 GHAB O=C(NCc1ccco1)c1ccccc1NCc1nc(-c2ccsc2)no1 14704415 WIZAQQVTBRNFPP-UHFFFAOYSA-N 380.429 3.933 0 40 GHAB O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1 16842302 SDKOHZIGWJJCDA-UHFFFAOYSA-N 390.823 3.959 0 40 GHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc2c(O)cccc12 17078075 ZDKJUAHQBURSPL-UHFFFAOYSA-N 382.441 3.689 0 40 GHAB Fc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1 19347821 LRGABEBUMZHZBE-NRFANRHFSA-N 398.530 3.577 0 40 GHAB CC(C)N1CCC[C@@H](CNC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 19447922 ANHMRFJZEUJOLT-KRWDZBQOSA-N 389.503 3.542 0 40 GHAB CCCN1CCN(C(C)=O)C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O 19503029 GXBFNMULOMNLNT-FQEVSTJZSA-N 382.479 3.752 0 40 GHAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCCN(CC2CC2)C1 19530017 HUWJZHSGLWBATD-HTAPYJJXSA-N 388.483 3.764 0 40 GHAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 19596910 ADCDUMFYGAUCFR-UHFFFAOYSA-N 388.420 3.588 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20176344 GZSPRWJVHVABJZ-UHFFFAOYSA-N 396.468 3.964 0 40 GHAB C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)NC1CCCC1 22019883 VYZNSGCTTCSUIM-LLVKDONJSA-N 382.580 3.794 0 40 GHAB CCN(CCCNC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccccc1 22135847 VMUGNXRUYPVDRK-IBGZPJMESA-N 379.504 3.610 0 40 GHAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc2c(c1)OCO2 22389878 CENMZIWLCZOYFO-UHFFFAOYSA-N 375.471 3.911 0 40 GHAB CN(CCOc1ccccc1F)C(=O)c1cc2c(nc3sccn32)s1 22741905 MCYNLNPTOMMJBF-UHFFFAOYSA-N 375.450 3.901 0 40 GHAB O=C(Cc1ccc(Cl)c(Cl)c1)NCC1(N2CCOCC2)CCCCC1 23736511 WVIFURBUUPIPEP-UHFFFAOYSA-N 385.335 3.687 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)Cc2sc(SC)nc2C)cc1 24768366 CJKDQKJHNKZKQH-JXMROGBWSA-N 376.503 3.931 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3C)C2)s1 24928399 LCPDFOBHNNAIAM-CQSZACIVSA-N 396.509 3.543 0 40 GHAB Cc1cc(=O)c(C(=O)N2C[C@H](C)C[C@@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 28199695 FTDOPHBFPRWZAP-CHWSQXEVSA-N 393.409 3.678 0 40 GHAB O=S(=O)(c1cccc(CSCc2ccc(Cl)cc2)c1)N1CCOCC1 28581379 LEGQBNZUFXQFHI-UHFFFAOYSA-N 397.949 3.794 0 40 GHAB CC(=O)c1c(C)cc(C)c(CN2C[C@@H](C(=O)N(C)C)Oc3ccccc32)c1C 29147352 LBMJJJYIUTVRGJ-NRFANRHFSA-N 380.488 3.670 0 40 GHAB CC(C)(C)c1nc(CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)cs1 29721178 XCDCAVLIOPEXNK-UHFFFAOYSA-N 397.548 3.808 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2ccc(I)cc2)cc1 30862792 NZZBDGASIZCNOG-LLVKDONJSA-N 381.213 3.791 0 40 GHAB Cc1ccccc1/C=C/c1nc(SCC(=O)NCCc2cccs2)n[nH]1 32885470 NSHXVHKTICNPRU-CMDGGOBGSA-N 384.530 3.796 0 40 GHAB Cc1c(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cnn1C 32900602 XTRJSOMBWCKANH-HNNXBMFYSA-N 376.460 3.814 0 40 GHAB O=C(Nc1ccccc1NC(=O)c1ccc(Br)o1)c1cccnc1 38678725 FNDBNXVXYAHBPG-UHFFFAOYSA-N 386.205 3.942 0 40 GHAB CC(=O)c1ccc(OCCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 40040232 PVQIBTMDHALRIE-UHFFFAOYSA-N 380.444 3.732 0 40 GHAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2cc(Cl)ccc2Cl)c1 40095831 SJNIZRSOWYWWPG-OAHLLOKOSA-N 385.247 3.866 0 40 GHAB CSc1ccc(CN(C)CN2C(=O)CN(/C=C/c3ccccc3)C2=O)cc1 40119602 RJEWOJFODOTWCI-OUKQBFOZSA-N 381.501 3.733 0 40 GHAB O=C(c1cccnc1N1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 40132721 YJJVHSYCBBLHDC-UHFFFAOYSA-N 389.503 3.968 0 40 GHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1NS(C)(=O)=O 43523220 LXCANFFQLGJOBY-HNNXBMFYSA-N 386.517 3.736 0 40 GHAB O=C(Cc1ccc(NC(=O)CSCc2ccccc2)cc1)NCC(F)(F)F 44035636 LVGNAYOAVVWPHA-UHFFFAOYSA-N 396.434 3.780 0 40 GHAB Cc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(CN2CCCC2=O)c1 48354273 OZRVRDTXVSATNM-UHFFFAOYSA-N 378.881 3.572 0 40 GHAB CCc1noc(-c2ccnc(SCC(=O)Nc3cc(F)cc(F)c3)c2)n1 49405408 QMFPQIWITDALSB-UHFFFAOYSA-N 376.388 3.703 0 40 GHAB COc1cc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)cc(OC)c1O 49544422 QEDOVQNFPBCAGM-OAHLLOKOSA-N 379.416 3.778 0 40 GHAB C[C@H](Nc1ncnc2[nH]cnc12)c1ccc(NC(=O)c2ccc(F)cc2)cc1 54125137 TUWMXXYRJBYKFN-LBPRGKRZSA-N 376.395 3.917 0 40 GHAB COc1ccccc1N1CCN(Cc2cc(=O)oc3c(C)cc(C)cc23)CC1 54147565 MQFWJUBRZOZZLG-UHFFFAOYSA-N 378.472 3.741 0 40 GHAB biogenic O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccccc1 56945374 XWAMFAMTPQYRIZ-NRFANRHFSA-N 375.472 3.573 0 40 GHAB CCOC(=O)c1sc2[nH]c([C@H](C)NC3CCC(C)CC3)nc(=O)c2c1C 58156681 KYSHVUDMJSIKME-YDGIUTOCSA-N 377.510 3.699 0 40 GHAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 58419048 SAIRKSDTHDBIMF-HNNXBMFYSA-N 391.519 3.983 0 40 GHAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)Cc1ccccc1 59294533 ZWLPYPMWEXWWNC-UHFFFAOYSA-N 393.468 3.896 0 40 GHAB CC1CCN(CCCCNC(=O)NCc2cccc(Br)c2)CC1 60564834 IDCLNQOOPIGUMS-UHFFFAOYSA-N 382.346 3.760 0 40 GHAB Cc1nnsc1-c1nn2c(-c3ccc(Br)cc3F)nnc2s1 61719100 LJSBDNKEEKSFKP-UHFFFAOYSA-N 397.258 3.581 0 40 GHAB COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3C(F)(F)F)cc1 66089644 OMTPDVBEPGPINH-JTQLQIEISA-N 391.392 3.578 0 40 GHAB CCCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(F)c(F)cc21 67340554 IYKIQAAXBAOHIR-UHFFFAOYSA-N 393.411 3.531 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 79075877 PMTKDRWOXIKQPA-RXVVDRJESA-N 390.443 3.705 0 40 GHAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3nc4ccc(Cl)cc4s3)C2)nn1 90592236 VUWKKIVFQJTAGB-GFCCVEGCSA-N 387.896 3.903 0 40 GHAB CN(CCCC(=O)OC(C)(C)C)C(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 95442805 IENWPNORUMGCHB-MRXNPFEDSA-N 398.544 3.604 0 40 GHAB Cn1c(SC[C@@H]2CO[C@@H](c3ccc(Cl)cc3)O2)nnc1-c1cccnc1 95448423 WJNZCGPPQDUHCH-DOTOQJQBSA-N 388.880 3.737 0 40 GHAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc2nc3n(c2c1)CCC3 95938939 MTVRMFBEZXIVHZ-UHFFFAOYSA-N 390.418 3.749 0 40 GHAB O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1occc1-c1ccccc1 96007030 SNZKIHUFUIKISS-NRFANRHFSA-N 390.483 3.833 0 40 GHAB O=C(CSC1CCCC1)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96099585 CMUZZZSAWBEGNP-MCPYQZEQSA-N 393.574 3.658 0 40 GHAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100936980 GMUBXYGFPJMNFP-LSOMNZGLSA-N 377.827 3.883 0 40 GHAB Cc1ccc(NC(=O)/N=c2\c3ccccc3[nH]c(=O)n2Cc2ccccc2)cc1 101113850 DCTODCPDGNTLHE-YYADALCUSA-N 384.439 3.819 0 40 GHAB COc1ccc(-c2nnc(SCc3nc(-c4ccccc4)no3)[nH]2)c(OC)c1 121245828 QMSLGZFCHHHGQY-UHFFFAOYSA-N 395.444 3.831 0 40 GHAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 219682076 KDDVOAIXVDUBFI-CQSZACIVSA-N 392.293 3.974 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c(C)c1 222522249 GTDBDBNQJKPVHI-CQSZACIVSA-N 394.924 3.844 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1 222641031 SSZILJORNNMKRU-UHFFFAOYSA-N 383.444 3.986 0 40 GHAB CC[C@H](NC(=O)CSCc1cccc(C)c1)c1ccc(S(C)(=O)=O)cc1 222746527 UQFVIRHHSIMUBG-IBGZPJMESA-N 391.558 3.899 0 40 GHAB Cc1cc(S(=O)(=O)NCc2cccc3ccccc23)ccc1N1CCCC1=O 222867839 NITYFTQTSSKTNB-UHFFFAOYSA-N 394.496 3.754 0 40 GHAB CSc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1NC(C)=O 223178057 SCCMZXSOMPPOHS-CQSZACIVSA-N 392.546 3.667 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)c1 224855840 QHNNWWKZZQISBU-WOJBJXKFSA-N 394.500 3.912 0 40 GHAB Cc1ccc(C(=O)NCCOCc2ccccc2)c(I)c1 225029934 DKMQJKVBWNTLGG-UHFFFAOYSA-N 395.240 3.546 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 225083008 YPONFCMXTUWKGO-RBUKOAKNSA-N 396.531 3.878 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 225437505 OAJZNSYFHONORF-CQSZACIVSA-N 376.859 3.575 0 40 GHAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(Cc3cnn(C)c3)CC2)n1 257268185 MKPSYADFAPORQE-UHFFFAOYSA-N 380.471 3.781 0 40 GHAB Cc1cc(-c2c(C)noc2C)nc([C@@H]2CCCCN2Cc2ccnc(C)n2)n1 257321710 WCVVBNFUTWACCA-IBGZPJMESA-N 378.480 3.882 0 40 GHAB CN1CCN(Cc2ccoc2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306124846 CATDSYPIDBTXFA-OAQYLSRUSA-N 391.450 3.617 0 40 GHAB Fc1ccc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc1 306139800 UAWYEGHIEVFEAC-SFHVURJKSA-N 379.483 3.848 0 40 GHAB Cc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)N1CCCCC1 408623817 PWLPZHKMPWSVCU-UHFFFAOYSA-N 390.549 3.790 0 40 GHAB Cc1ccc(C(=O)Nc2ccc3sc(C(=O)N4CCOCC4)cc3c2)cc1 408713206 NYRJGEXBKPCZBK-UHFFFAOYSA-N 380.469 3.934 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1 409380263 ASWCEMUCWMHUJP-MRXNPFEDSA-N 382.485 3.941 0 40 GHAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(-c3ccccc3OC)[nH]n1)CC2 524732511 KWYJRSHKOIFDKI-INIZCTEOSA-N 393.443 3.520 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1cc2ccccc2n(C)c1=O 553282234 VNZDHPRCNAFVFE-LKUPVBHCSA-N 384.520 3.632 0 40 GHAB Cc1nc2ccccc2n1[C@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 585149230 WMKSFUFNOQNCEJ-AWEZNQCLSA-N 375.881 3.634 0 40 GHAB O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618255558 SRTHUOIEZRMIQQ-HNNXBMFYSA-N 387.361 3.942 0 40 GHAB O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)[C@H]1CC[C@H](C2CC2)N1 653086173 JDRFDGKWOXLSCA-CHWSQXEVSA-N 379.432 3.881 0 40 GHAB CNC(=O)c1cc(Oc2ccc(N[C@H]3CCCn4ccnc43)cc2F)ccn1 655769410 HRPJEVRVQFXRLU-INIZCTEOSA-N 381.411 3.516 0 40 GHAB O=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(O)nc(N3CCCCC3)nc2N1 670416061 DOQHMSUSMOQEOF-GFCCVEGCSA-N 393.274 3.953 0 40 GHAB CC(C)(CNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)[C@]1(O)CCOC1 1162975064 UMOJGFNBNZEKCM-DJGBTNNQSA-N 389.492 3.861 0 40 GHAB Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 1534018011 WBPSDIUWLPFBCE-MOPGFXCFSA-N 386.471 3.654 0 40 GHAB O=C(CC1(N2Cc3ccccc3C2=O)CCSCC1)NCc1ccccc1 1565524524 JRWSKFHXZBTDQO-UHFFFAOYSA-N 380.513 3.615 0 40 GHAB O=C(N[C@@H](c1ccccc1)c1ccccn1)C1CCN(CC(F)(F)F)CC1 47247937 SRXNHQMGCVTXIJ-SFHVURJKSA-N 377.410 3.562 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(COc2cccc(C)c2)n1C 779219 OMZADNIDERIFDQ-UHFFFAOYSA-N 396.516 3.996 0 40 GHAB CCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O 884099 QVJRBLDUWFGLTD-UHFFFAOYSA-N 395.528 3.742 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C[C@H]2CCCO2)cc1 905353 BTQSFPABVOGAHN-MRXNPFEDSA-N 398.488 3.756 0 40 GHAB CC(C)N1CCC(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1 23074638 CCBOJKQPMXFLFF-UHFFFAOYSA-N 378.476 3.735 0 40 GHAB CCC[C@H](C)NC(=O)COC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 23267522 ZGODIXHAFJBGDU-YWZLYKJASA-N 395.455 3.602 0 40 GHAB CCCNC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc2c1CCCC2 2700892 KMLHHOGMVNDWEU-UHFFFAOYSA-N 390.480 3.923 0 40 GHAB Cc1cc(C)n2nc(SCCOc3cccc(Br)c3)nc2n1 3466909 UJGDMEWPGCGYOB-UHFFFAOYSA-N 379.283 3.675 0 40 GHAB CCN(CC)C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 4500512 XNGKUQGVHQJCTK-UHFFFAOYSA-N 398.507 3.958 0 40 GHAB CCCC[C@H](OC(=O)c1cc2occc2n1C(C)C)C(=O)NC[C@@H]1CCCO1 4967173 VSGVKSBOKPENNL-YJBOKZPZSA-N 390.480 3.826 0 40 GHAB O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccccc1N1CCCC1 6615695 FWNBVQGXNZBEBM-UHFFFAOYSA-N 389.908 3.832 0 40 GHAB CCOc1ccc(C(=O)O)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 6963947 LIMXTEMBHCIRDT-UHFFFAOYSA-N 395.455 3.827 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1F 7652782 HHHXCBZSYJQAAA-UHFFFAOYSA-N 378.252 3.962 0 40 GHAB O=C(Cn1cc(/C=C2/SC(=S)N=C2O)c2ccccc21)NCc1ccco1 1151727 OHQYVZYJAJXYJA-LZYBPNLTSA-N 397.481 3.880 0 40 GHAB COc1ccc(CN(C(=O)[C@H](C)NC(=O)OCc2ccccc2)C2CC2)cc1 24990942 FMTLVYHFTBEENS-INIZCTEOSA-N 382.460 3.501 0 40 GHAB Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 10464621 YULPALYVBCKVQF-UHFFFAOYSA-N 380.444 3.893 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@@H](C)N(C)Cc1ccccc1N1CCOCC1 12554646 NUQZFESNILBKEJ-LJQANCHMSA-N 381.520 3.599 0 40 GHAB C[C@@H](OC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1)C(=O)c1ccc(F)cc1 95369369 MVOAWTGLGIHMDC-RNCFNFMXSA-N 381.812 3.848 0 40 GHAB O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1cc2ccccc2c(=O)[nH]1 56200961 HCFKJFDDAVYNHC-UHFFFAOYSA-N 398.344 3.985 0 40 GHAB O=C(C[C@H]1Oc2ccccc2NC1=O)N[C@H](Cc1ccccc1)c1ccccc1 25623338 JJGGLUUCCOQGDN-IFMALSPDSA-N 386.451 3.876 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 35283893 OWMPMAFYNXWCHK-MOPGFXCFSA-N 379.504 3.981 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1 26661530 XWUINEAZBHUWOY-CQSZACIVSA-N 375.428 3.583 0 40 GHAB COc1cc(OC)c(N[C@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1Cl 57713550 GCDLVYOJCYMGDV-GFCCVEGCSA-N 380.847 3.955 0 40 GHAB C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C[C@@H](C)O1 44812651 VQAFUHZZXZWUCB-CHWSQXEVSA-N 391.265 3.886 0 40 GHAB CC[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1nc(-c2ccccc2)c[nH]1 58218816 PGTZERQTJDSIGQ-HNNXBMFYSA-N 377.416 3.785 0 40 GHAB COc1cc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc(OC)c1O 71282169 XWJUAINMYHGFET-CYBMUJFWSA-N 387.436 3.528 0 40 GHAB CCc1cccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 12786848 BDXIKFHMDWTLEL-UHFFFAOYSA-N 381.501 3.928 0 40 GHAB COc1cc(-c2nnc3sc(-c4ccccc4C)nn23)cc(OC)c1OC 2234059 OIIZMHRCYPGJKV-UHFFFAOYSA-N 382.445 3.854 0 40 GHAB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3cc(C)ccc3N1[C@H]2C(=O)C(C)(C)C 103460435 QXDMQYKEMQIMIQ-FUMNGEBKSA-N 394.515 3.596 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(c2nnc3ccccn23)CC1 45336449 GBOFXZCLHUXJRG-UHFFFAOYSA-N 389.434 3.745 0 40 GHAB CCn1nccc1C(=O)Nc1c(Br)cc(F)cc1Br 28236536 OXPUMNBZGKEALX-UHFFFAOYSA-N 391.038 3.819 0 40 GHAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccc(O)cc4)nnc32)cc1Cl 2400408 IRBZENCLZZZFMV-UHFFFAOYSA-N 376.807 3.798 0 40 GHAB O=C(O)c1cccc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1 28913675 CVHPNKCIHMOVDC-UHFFFAOYSA-N 395.651 3.650 0 40 GHAB CCCCc1ccc(NC(=O)Cn2c(=O)n(CCC)c(=O)c3sccc32)cc1 57485882 CUKMFUPWXHNIBO-UHFFFAOYSA-N 399.516 3.616 0 40 GHAB Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)c(C)o1 306139220 SSJARPQVSOIBDQ-JOCHJYFZSA-N 395.434 3.714 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(Cl)c2)cc1 9237289 VXLSSHPEVGEHKP-IAGOWNOFSA-N 399.907 3.946 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 4385091 GHNYQZJVAPCFSC-AWEZNQCLSA-N 385.851 3.598 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cccnc1N1CCCC1 19674672 WHBLOMVDCCJYRU-UHFFFAOYSA-N 381.476 3.909 0 40 GHAB Clc1ccc(OCc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)cc1 6413957 IWYBGQHPTLQFEV-UHFFFAOYSA-N 376.807 3.900 0 40 GHAB COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1F 4643784 MBCQVFDVIQUHAS-HXUWFJFHSA-N 381.407 3.503 0 40 GHAB Cn1c(CCn2ccccc2=O)nc2cc(NC(=O)Nc3ccccc3)ccc21 6665096 XADXZQNFBDWOGU-UHFFFAOYSA-N 387.443 3.622 0 40 GHAB O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)cc1 4712037 QJUOAVOLBQEEOX-UHFFFAOYSA-N 389.858 3.547 0 40 GHAB CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)c2n[nH]c3ccccc23)cc1 4823361 GJIZFZWURVRBJK-UHFFFAOYSA-N 379.416 3.587 0 40 GHAB O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 5874525 BVPQABZIFHOYIW-NRFANRHFSA-N 392.480 3.532 0 40 GHAB Cc1ccc2nc(CSc3nc(C4CC4)n(-c4ccccc4)n3)cc(=O)n2c1 4935516 PFRMRZTXIBLFSA-UHFFFAOYSA-N 389.484 3.753 0 40 GHAB CCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)Nc3nccs3)nc21 4973747 VTYCYTAMXSAJFT-LLVKDONJSA-N 398.517 3.965 0 40 GHAB Fc1ccc(N2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)cc1 67285259 UEEMICTYZZJYRG-UHFFFAOYSA-N 379.464 3.924 0 40 GHAB CC(C)Cn1c(SCc2cc(-c3ccccc3)on2)nnc1N1CCOCC1 7083026 WPOHGWMWCWTKRE-UHFFFAOYSA-N 399.520 3.718 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC(=O)c2cccs2)cc1 7988802 PJGKOUUMVXWJGW-MRXNPFEDSA-N 394.452 3.570 0 40 GHAB CS(=O)(=O)N(CCCC(=O)NCCC1=CCCCC1)c1ccc(Cl)cc1 8040904 VESGPKMTTYXPHT-UHFFFAOYSA-N 398.956 3.893 0 40 GHAB O=C(CNC(=O)Cc1cccc2ccccc12)NCCCn1ccc2ccccc21 8026593 MWEZVYLTMLNNMO-UHFFFAOYSA-N 399.494 3.660 0 40 GHAB CCCCOc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C 19909435 KYUCKPPINANGTC-UHFFFAOYSA-N 382.570 3.761 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)n1 8298692 WWTKJPLRRKGVDI-RYUDHWBXSA-N 394.928 3.730 0 40 GHAB Cc1cc(C)nc(SCC(=O)NCCc2ccc(-c3csc(C)n3)cc2)n1 70004330 YVRKRVHIWAADQH-UHFFFAOYSA-N 398.557 3.976 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc2ccccc2n1 8312779 ZJJMCLWGMBZXLQ-UHFFFAOYSA-N 383.835 3.608 0 40 GHAB Cn1cnnc1SCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 8705382 RPECWIXNOOZEFE-UHFFFAOYSA-N 387.446 3.522 0 40 GHAB Cc1cccc(NC(=O)Cn2c(C(F)(F)F)nc3cc4c(cc32)OCCO4)c1 64814416 VEMQNQXMACOVAC-UHFFFAOYSA-N 391.349 3.773 0 40 GHAB Cc1nc(C(=O)N(C)Cc2ccc3c(c2)OCO3)nn1-c1ccccc1C(C)C 84280569 JEYSHBRBMUFCAY-UHFFFAOYSA-N 392.459 3.700 0 40 GHAB c1cc(-c2nc(CN3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)no2)co1 95993112 YWGWRRMAPZINLH-OAHLLOKOSA-N 382.468 3.875 0 40 GHAB COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4cccc(F)c4)C2)OC3)cc1 306123825 AXZIXLFHTJMPPC-HSZRJFAPSA-N 393.462 3.873 0 40 GHAB CN(Cc1ccc(Cl)cc1)C(=O)c1cc(NS(C)(=O)=O)ccc1Cl 20490685 MAQIWLBNSHIJQG-UHFFFAOYSA-N 387.288 3.637 0 40 GHAB CCCN1C(=O)N/C(=C/c2cc(Br)c(OCC)cc2OCC)C1=O 409232198 OUKVOFYIZDOIEP-UKTHLTGXSA-N 397.269 3.549 0 40 GHAB COc1ccc(-c2ccc(C)c(NC(=O)c3ccc4c(c3)OCC(=O)N4)c2)cn1 513348974 QIQPLRFDYWGZQD-UHFFFAOYSA-N 389.411 3.649 0 40 GHAB CCc1nc2sc([C@@H](c3ccc(C)cc3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 36104918 DNIVMLGDZJVAFY-CKEIUWERSA-N 386.521 3.566 0 40 GHAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)C1(c2ccccc2)CCCC1 72324249 XRYQYQFTCMLZEW-FQEVSTJZSA-N 389.499 3.803 0 40 GHAB CC[C@@H]1CCCCN1CCNC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 1565690536 IERFRRAJUAIXMA-GOSISDBHSA-N 383.540 3.693 0 40 GHAB CCOc1ccc(-c2nc(-c3cccc(OCC(=O)N4CCCC4)c3)no2)cc1 33327415 LDXNWKDRPIOEAY-UHFFFAOYSA-N 393.443 3.804 0 40 GHAB Cc1cccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)c2ccccc2)c1 35485597 BAIUEGDRFZQAHC-XZOQPEGZSA-N 399.494 3.506 0 40 GHAB CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cccc(F)c3)c(C)c2)CC1 32772064 BRRRJOBAHFEXEI-KRWDZBQOSA-N 384.499 3.715 0 40 GHAB CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1c1ncccn1 72370535 NWWUCXRIPWATJS-HNNXBMFYSA-N 380.517 3.995 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccccc1C(C)C 223834691 NKGMXDPJFXBEKZ-UHFFFAOYSA-N 383.897 3.829 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1 223767932 RPGDEQQJDLXJGP-INIZCTEOSA-N 388.895 3.581 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 222963623 XAFKCPVFENHVHL-FQEVSTJZSA-N 396.531 3.916 0 40 GHAB CCCNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(N2CCCC[C@@H]2C)n1 225885824 PDQUJUQOMDDFMY-CVEARBPZSA-N 390.601 3.788 0 40 GHAB Cc1cc(C)nc(Nc2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)n1 225915675 QHOPLKZXZQIALO-UHFFFAOYSA-N 387.487 3.799 0 40 GHAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 225310498 AKQOTSUCHWMTOF-GOSISDBHSA-N 379.909 3.944 0 40 GHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1 224086136 XPOWZUCCCQWITH-OAHLLOKOSA-N 388.458 3.839 0 40 GHAB Cc1ccc(NC(=S)NCCCN2CCC(C)CC2)cc1N1CCCC1=O 225437599 OAUHSWXKJKHSKZ-UHFFFAOYSA-N 388.581 3.530 0 40 GHAB CCc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 224551597 ADRGNFRLESSTRX-UHFFFAOYSA-N 384.495 3.795 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223867249 UFEOZTVNRPKANY-KRWDZBQOSA-N 382.479 3.844 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1 225743547 LLJYPSAWRIEYDS-UHFFFAOYSA-N 397.544 3.598 0 40 GHAB C[C@H](CNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccccc1 223699390 NNVNCAZRBGGASJ-QGZVFWFLSA-N 396.512 3.526 0 40 GHAB Nc1cc(C(=O)NC2CC2)ccc1Nc1ccc(I)cc1 225425059 JSZQJCUSPIPKFK-UHFFFAOYSA-N 393.228 3.509 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 222440684 NIMVDVGQLUSQHA-GOSISDBHSA-N 382.504 3.661 0 40 GHAB Clc1cccc(CN2CC[C@]3(COCc4cnc(NCC5CC5)nc43)C2)c1 96244100 HTPFAWCGKSGPCY-OAQYLSRUSA-N 384.911 3.626 0 40 GHAB COc1cccc(-c2nc(-c3noc4ccc(C(=O)N5CCCO5)cc34)co2)c1 96037840 FKKDBNVUUWCUJV-UHFFFAOYSA-N 391.383 3.936 0 40 GHAB O=C(c1ccncc1)N1CC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 96071009 RKNFOFRWDLHSRW-UHFFFAOYSA-N 389.421 3.839 0 40 GHAB CC(=O)N1CCC(c2n[nH]cc2-c2ccnc(NCc3ccccc3F)c2)CC1 257290273 QCFXPDGSPFMGHA-UHFFFAOYSA-N 393.466 3.949 0 40 GHAB CC(=O)N1C[C@H](COCC2CC2)C2(CCN(Cc3sccc3C)CC2)C1 253598368 AAQZPPWDUWFVNV-LJQANCHMSA-N 376.566 3.544 0 40 GHAB CC(C)(C)C(=O)N1CCC(Cc2cncc(-c3ccc(C(=O)O)cc3)n2)CC1 257291499 QHFJDFOXTUZNMR-UHFFFAOYSA-N 381.476 3.669 0 40 GHAB COc1cccc2c1OC1(CCN(CC3CCOCC3)CC1)[C@H]1CCCO[C@H]21 257272722 NDNUDBRTAFWHIC-PZJWPPBQSA-N 387.520 3.817 0 40 GHAB Cn1cc(NC(=O)N2CC(Cc3ccccc3Br)C2)c(C2CC2)n1 626570770 WORUPOBPXRRMOR-UHFFFAOYSA-N 389.297 3.766 0 40 GHAB COc1nc(C(=O)N2CC[C@@H](C(F)(F)F)n3nc(C)cc32)cc2ccccc12 643902617 FDRZBZUHXFPTTI-HNNXBMFYSA-N 390.365 3.902 0 40 GHAB Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)N1CCC[C@H](Nc2ccccc2)C1 676180685 MKMZNTALEQUZHN-IBGZPJMESA-N 391.519 3.539 0 40 GHAB COc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)cc1F 90612399 ZABPTLIVTICAQW-UHFFFAOYSA-N 395.477 3.922 0 40 GHAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2cnn(-c3ccccc3)n2)s1 96342880 NRCJMJSGFMOMOI-UHFFFAOYSA-N 389.484 3.938 0 40 GHAB Cc1nc2nc(SCc3cc(Cl)c4c(c3)OCCO4)nn2c(C)c1C 32936524 RPOUTWXVXHKZNZ-UHFFFAOYSA-N 376.869 3.766 0 40 GHAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 5576632 OYFOOLXISRLMPP-LLVKDONJSA-N 378.222 3.642 0 40 GHAB O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)CCCC2 12330236 OXSDXEJQZORRNL-PKTZIBPZSA-N 393.527 3.950 0 40 GHAB COc1cccc(Nc2nnc(SCc3nnnn3-c3ccccc3)s2)c1 12562925 OYLGHICJBVBJAU-UHFFFAOYSA-N 397.489 3.558 0 40 GHAB CCOC(=O)c1cccc(NS(=O)(=O)Cc2c(F)cccc2Cl)c1C 13632284 HRTNOWOLPAMIJC-UHFFFAOYSA-N 385.844 3.906 0 40 GHAB CCn1nc(C)c(-c2cc(C(=O)OC)n3nc(C)c(-c4ccccc4)c3n2)c1C 13645778 BUYIUOVZCXSJEZ-UHFFFAOYSA-N 389.459 3.992 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1SC)N(c1ccc(C)cc1)S(C)(=O)=O 13713727 ASYMSHHWJMXSAQ-KRWDZBQOSA-N 392.546 3.900 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1NC(C)=O 16101652 NDUKBQIHUDYQMD-UHFFFAOYSA-N 389.260 3.761 0 40 GHAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)CC[C@H]3CCCO3)cc2)on1 19124290 OEUFKKWBEPLCSJ-GOSISDBHSA-N 392.459 3.682 0 40 GHAB Cc1ccccc1[C@@H]1CN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)C[C@H]1c1csnn1 19237419 WDZDTILSWMYKDN-CPLUKWAASA-N 398.576 3.534 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)c2ccccc2)CC1 19496082 CVYRNNCQDGBQPZ-IRXDYDNUSA-N 394.519 3.833 0 40 GHAB CN1CCN(C(=O)C2CCC2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19589465 JSPIXJOTTAZVRW-LJQANCHMSA-N 382.529 3.675 0 40 GHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2Cc1cnn(C)c1C 19712909 UWZFZLFXLLYVAP-SMIHKQSGSA-N 394.563 3.705 0 40 GHAB Cc1nc(C)c(S(=O)(=O)N[C@@H](CCN2CCCCC2)c2ccccc2)s1 19715986 UKLSMMQQKXZBRD-SFHVURJKSA-N 393.578 3.656 0 40 GHAB COc1cc2c(cc1OC)-c1cc(Nc3cc(C)ccc3C)nc(=O)n1CC2 2111269 HSWZPDIEPPTCOI-UHFFFAOYSA-N 377.444 3.844 0 40 GHAB biogenic Cc1oc2c(c1CC(=O)NCc1noc(-c3ccccc3)n1)C(=O)CC(C)(C)C2 12203043 FSGJCJVOOKYORZ-UHFFFAOYSA-N 393.443 3.652 0 40 GHAB CN(C)c1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)ccn1 19584172 WGPUKTBTUGSKFM-UHFFFAOYSA-N 381.476 3.851 0 40 GHAB COC(=O)C1=C(Nc2ccccc2)CC(C(=O)OC)=C(Nc2ccccc2)C1 5318926 JAWHCRQIVXIBNR-UHFFFAOYSA-N 378.428 3.859 0 40 GHAB CCOc1ccc(OCC(=O)OCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 16838699 MITOTOPLUBWXCG-UHFFFAOYSA-N 397.383 3.591 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 32983470 FROVSXMDWDNZLY-GFCCVEGCSA-N 376.338 3.692 0 40 GHAB COc1cc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)ccc1OC(C)C 40005273 JUDKQHBSPLVLJV-MRXNPFEDSA-N 380.448 3.502 0 40 GHAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1C 40086396 HENCQWMXTVZOCY-HNNXBMFYSA-N 395.434 3.867 0 40 GHAB COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1cc(Br)cs1)N2 30540000 DPERSFDWDVZVPQ-AWEZNQCLSA-N 383.267 3.724 0 40 GHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCCCCC2)C12CCCCC2 20722096 UIQZUWDSGIDDQQ-OAQYLSRUSA-N 398.547 3.978 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 32753842 KEXSORIVOCEYFZ-UHFFFAOYSA-N 381.234 3.731 0 40 GHAB Cc1nc(SCc2c(C(=O)O)sc3cccc(F)c23)sc1CC(N)=O 32883601 AZJOJMNRMYYNAG-UHFFFAOYSA-N 396.490 3.824 0 40 GHAB CC(C)(C)NC(=O)c1ccc(NCC(=O)N[C@@H]2CCCc3ccccc32)cc1 32909061 LGKDUMSMIWAADH-HXUWFJFHSA-N 379.504 3.821 0 40 GHAB CN(C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)CCCC3)on1)c1ccco1 21805562 UKGYBHSSAZLIJM-LJQANCHMSA-N 379.460 3.846 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(CCc2ccccc2)CC1 21973138 SUBFMZZODVWCDQ-UHFFFAOYSA-N 375.516 3.878 0 40 GHAB O=C(NCc1ccccc1)[C@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290486 AZXPFCCGVDRAQD-KRWDZBQOSA-N 386.455 3.909 0 40 GHAB CC(C)[C@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 22437590 RMUDDQXNTZLGLC-QFIPXVFZSA-N 381.520 3.715 0 40 GHAB O=C(OCCn1cnc2ccccc2c1=O)C(c1ccccc1)c1ccccc1 22468360 MATVQUUITMMTSW-UHFFFAOYSA-N 384.435 3.772 0 40 GHAB Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 670648 RYADJYQQUAARJA-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB CCOc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N(C)C)O1 1044159 MGVSNGOPTDAPAZ-UHFFFAOYSA-N 383.292 3.601 0 40 GHAB O=C(Oc1ccccc1)N(CCO)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 1671916 SZCAVXACQFEDQN-VXKWHMMOSA-N 377.440 3.955 0 40 GHAB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Cl)c1 2405163 SYZHVGDCYNHGGT-IBGZPJMESA-N 396.874 3.943 0 40 GHAB COCCCNC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 2657655 GIAXNXRXIWVQCL-UHFFFAOYSA-N 385.464 3.681 0 40 GHAB Cc1ccc(OCCOCCOc2ccccc2/C=C2/SC(=N)NC2=O)cc1 2977478 DRBSLEMKIRVVMZ-XMHGGMMESA-N 398.484 3.608 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1 3147654 CPTJADHXDFTQIV-UHFFFAOYSA-N 386.256 3.888 0 40 GHAB CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 3371089 WZEKZCJBDYJTQT-HXUWFJFHSA-N 390.439 3.884 0 40 GHAB O=C(Nc1cccc2ncccc12)[C@H]1CS[C@@]2(c3cccs3)CCC(=O)N12 3405302 CVGBSQZLOBIVGW-OXQOHEQNSA-N 395.509 3.826 0 40 GHAB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)NCc1ccc(F)cc1 3529273 DISDDNLBOUYXGI-UHFFFAOYSA-N 379.387 3.672 0 40 GHAB CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc1 4017184 IQVYDMBOVNTBRQ-HXUWFJFHSA-N 380.444 3.847 0 40 GHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc3nc(C)sc3c2)c1 4063881 SREANRVOIOEPNN-UHFFFAOYSA-N 387.486 3.749 0 40 GHAB Cc1ccc(NC(=O)/C=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 4700864 ZOKZBUPLCOTLDV-BUHFOSPRSA-N 396.468 3.718 0 40 GHAB Cc1ccc(C)c(OCc2nnc(SCC(=O)NC3CCCCC3)n2C)c1 4814714 YDSJFSABTMAPEJ-UHFFFAOYSA-N 388.537 3.552 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc2c(c1)OCCCO2 4934234 GFHCLJZBUAAXMV-UHFFFAOYSA-N 397.456 3.553 0 40 GHAB CCN(CC)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 4995535 OCFIOBLBZUCTHW-UHFFFAOYSA-N 394.924 3.712 0 40 GHAB Cn1c(CNC(=O)Cc2cccc(Cl)c2)nnc1SCc1ccccc1 5001714 OZGUJIYXPAUEKS-UHFFFAOYSA-N 386.908 3.620 0 40 GHAB CCOC(=O)c1csc2c1CCC(Br)(Br)C2=O 5002710 UQJMXHOSMFYRCO-UHFFFAOYSA-N 382.073 3.540 0 40 GHAB CCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1Br 5002869 QVROYWLYFKFIGF-HNNXBMFYSA-N 381.270 3.810 0 40 GHAB Cc1cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(C)n1C[C@H]1CCCO1 5084403 AWTBJAOEADVNEZ-MRXNPFEDSA-N 399.878 3.530 0 40 GHAB COc1ccc(OC)c(-c2csc(NC(=O)COc3ccccc3F)n2)c1 5216417 IGNKEKCLPXRFNR-UHFFFAOYSA-N 388.420 3.984 0 40 GHAB CSCC[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1nnc2ccccn12 5451874 CQKSPLOWMOMKJT-NSHDSACASA-N 396.303 3.655 0 40 GHAB COc1ccc2c3c(c(=O)oc2c1O[C@@H](C(=O)O)c1ccccc1)CCCC3 5547474 AAVOLAGLUBQSRJ-GOSISDBHSA-N 380.396 3.885 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)COc2ccc(Cl)c(C)c2)cc1 5993969 JYIGNBKDDIOAMR-CQSZACIVSA-N 389.835 3.800 0 40 GHAB COc1cc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)ccc1OC(F)F 6085175 BLIIUMFRUFRMPQ-UHFFFAOYSA-N 392.402 3.624 0 40 GHAB COc1ccccc1OCCNC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 6553353 QQFCYJMTBKWNKR-UHFFFAOYSA-N 379.412 3.967 0 40 GHAB COCCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1 6668927 CQKLABVYUREADB-UHFFFAOYSA-N 382.489 3.712 0 40 GHAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 6948531 LDQNPHIMMXPJLQ-QPEQYQDCSA-N 387.288 3.898 0 40 GHAB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc1 7078089 YOTZUJOUDOZLPD-XDUBLRSXSA-N 375.446 3.629 0 40 GHAB COc1ccc(OC)c(N(CC(=O)c2cccs2)C2=NCCCS2)c1 7275156 DPMSDLUPVOFSBI-UHFFFAOYSA-N 376.503 3.948 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)c(C)c1 8412340 ZRVTXOBJSXMODB-UHFFFAOYSA-N 394.349 3.600 0 40 GHAB CN(C)S(=O)(=O)c1ccc(OCCOc2ccc(Cl)cc2Cl)cc1 8536800 JOOHGNHNVIAARN-UHFFFAOYSA-N 390.288 3.702 0 40 GHAB CCCCNC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccco1 8748027 ITXKTSDVMCMXEN-UHFFFAOYSA-N 384.505 3.519 0 40 GHAB C[C@H](Sc1nnc(Cc2ccccc2F)n1N)c1nnc(-c2ccccc2)o1 8754656 XONHSCOLNMEZHM-LBPRGKRZSA-N 396.451 3.625 0 40 GHAB COc1ccccc1CNC(=O)COC(=O)c1ccccc1-c1ccccc1 8773686 RCHIMIJNPKECCL-UHFFFAOYSA-N 375.424 3.835 0 40 GHAB Cc1ccc2cc(COC(=O)c3cccc(-n4cnnn4)c3)c(Cl)nc2c1 8921879 AJADNYHTHBDMSL-UHFFFAOYSA-N 379.807 3.529 0 40 GHAB CC[C@@H]1CCCCN1C(=O)COC(=O)c1cccnc1Nc1ccccc1OC 9249509 PHBSMMQDSQXDEG-MRXNPFEDSA-N 397.475 3.782 0 40 GHAB Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)c(Cl)c1 9321032 BRIBHMJCTHRSIO-UHFFFAOYSA-N 392.846 3.764 0 40 GHAB CCCCN1C(=O)[C@@H]2[C@@H]3C=Cc4cc(C)ccc4N3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 9423798 QXDMQYKEMQIMIQ-NMLBUPMWSA-N 394.515 3.596 0 40 GHAB CCOc1ccc(C(=O)O[C@H](C(=O)OC)c2ccc(F)cc2)cc1OCC 9516458 WNXYDEQJCXEGOX-SFHVURJKSA-N 376.380 3.694 0 40 GHAB Cc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(C(C)C)cc2)n2nnnc2N3)cc1 10232600 TUDLGPINTHTVNC-FQEVSTJZSA-N 399.458 3.962 0 40 GHAB Cc1ccc(-c2nnc3sc(-c4cccc(Br)c4)nn3c2=O)cc1 10312447 QXROOJRTLKFKMB-UHFFFAOYSA-N 399.273 3.951 0 40 GHAB Cc1csc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)n1 10555943 LQHFQZFNGAOOOK-UHFFFAOYSA-N 379.488 3.566 0 40 GHAB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3cc(C)ccc3C)ccc21 11613041 ZNWLNBQFLUKJBR-UHFFFAOYSA-N 393.531 3.763 0 40 GHAB CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccc(F)c(Cl)c1 11613576 VVJGVLPNHQVCHW-LLVKDONJSA-N 381.860 3.835 0 40 GHAB Cc1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c2cnn(C(C)C)c2n1 11917085 RDKQCVVJPVZDDW-UHFFFAOYSA-N 391.475 3.599 0 40 GHAB COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccs4)n[nH]3)C2)cc1 12116525 SPFWRCGIQLOZLA-HNNXBMFYSA-N 395.484 3.882 0 40 GHAB O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccc(-c3ccccc3)cc1)C2 12182548 UXNMEITXPTVRGT-UHFFFAOYSA-N 386.499 3.595 0 40 GHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCCCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 12184800 HTMJBABCXCNWJE-GFHCSAFJSA-N 382.504 3.734 0 40 GHAB Cc1cc(OCC(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)ccc1Cl 12549831 IJQIHRWOPRAUAH-IBGZPJMESA-N 387.842 3.806 0 40 GHAB Cc1ccc(C)c(-n2cnn(CN3CCN(c4ccccc4F)CC3)c2=S)c1 12563013 TZSHNHNQAFLZIQ-UHFFFAOYSA-N 397.523 3.939 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)NCc1ccc(C(=O)N2CCCC2)cc1 12887250 NXEHARKTUOSXDF-UHFFFAOYSA-N 375.472 3.653 0 40 GHAB Cc1ccc(CNS(=O)(=O)CCCOc2cccc3c2OC(C)(C)C3)cc1 13521368 QAIWUKYCABITOV-UHFFFAOYSA-N 389.517 3.597 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2C)cc1 13679643 WELSIXMTHRCVEF-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1C 13944839 LMHSAUWHQGMYCM-QGZVFWFLSA-N 393.462 3.954 0 40 GHAB COc1ccc2nc(NC(=O)CCc3nc(-c4ccsc4)no3)sc2c1 14253812 NBBPPXHTUYJMTD-UHFFFAOYSA-N 386.458 3.988 0 40 GHAB CN1CCN(C(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC1 14554102 SKBFBMLEUBGNSU-UHFFFAOYSA-N 392.286 3.633 0 40 GHAB O=C1O[C@H](C(=O)Nc2nnc(SCc3ccccc3)s2)Cc2ccccc21 17028373 GGXSWYQWFUHYNW-HNNXBMFYSA-N 397.481 3.551 0 40 GHAB Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)c3ccncc3)cc2)on1 19123939 VPLYPXHWOAPTLI-UHFFFAOYSA-N 385.427 3.740 0 40 GHAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)CC)C1 19498410 TYTTYJHQJZMIIL-XMMPIXPASA-N 394.515 3.670 0 40 GHAB CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 19525808 DMHSJUKMNXQPNA-KRWDZBQOSA-N 379.508 3.882 0 40 GHAB CCN1CCN(Cc2c(C)nc3ccc(OCc4ccccc4)cc3c2O)CC1 19793350 FNDMVQMGMCSZMR-UHFFFAOYSA-N 391.515 3.965 0 40 GHAB C[C@@H](CN1CCN(Cc2ccccc2)CC1)OC(=O)c1cc2ccccc2o1 20059474 IUZUIPBEMLWCTQ-SFHVURJKSA-N 378.472 3.796 0 40 GHAB C[C@@H](Oc1cccc(C=O)c1)C(=O)Nc1cccc(I)c1 21375761 WJIDTOBMDZSCBP-LLVKDONJSA-N 395.196 3.510 0 40 GHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1c(F)cccc1F 21834184 RWMXKMDHCRXPFW-UHFFFAOYSA-N 375.400 3.663 0 40 GHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 22525558 KOLQEEGBRLTPKJ-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB Fc1ccc([C@@H]2CN(Cn3nc(-c4cccs4)[nH]c3=S)CCO2)cc1 23057834 BCVBXTDJEHINFO-AWEZNQCLSA-N 376.482 3.839 0 40 GHAB CCCc1ccc(S(=O)(=O)NCC2(c3cccs3)CCOCC2)cc1 23238603 HFWAWTKWTMVGFB-UHFFFAOYSA-N 379.547 3.727 0 40 GHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(OC[C@@H]2CCCO2)cc1 23737417 KXHYPJXMNFZUSW-GOTSBHOMSA-N 394.515 3.811 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C(C)=O)s1 25267321 KSHCUOMSIAFVIZ-SNVBAGLBSA-N 381.837 3.797 0 40 GHAB C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@H](Cc1ccccc1)c1ccccc1)CS2 26905792 KLEPVTFYOHBHRD-IPJJNNNSSA-N 380.513 3.541 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)n2cc(Br)cn2)c(Br)c1 28224172 WISQKPCOMUXHFW-VIFPVBQESA-N 387.075 3.916 0 40 GHAB O=S1(=O)N=C(NCc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21 32932993 GGOUNAJISWWSNW-UHFFFAOYSA-N 389.889 3.702 0 40 GHAB Cc1ccccc1/C=C1/SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O 35648344 IPFTYYJDJFWZSW-QRYYFKOISA-N 383.494 3.892 0 40 GHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2Br)N1 36025431 QXOOUBWXLCUYFT-IRXDYDNUSA-N 385.261 3.707 0 40 GHAB biogenic CCCn1nc(C)cc1NC(=O)c1cc(-c2ccn(CC)n2)nc2onc(C)c12 36618022 LZIGOGNBIVNECC-UHFFFAOYSA-N 393.451 3.582 0 40 GHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccncc1 40050719 ITEYLKABXLBVMV-LJQANCHMSA-N 377.492 3.585 0 40 GHAB Cc1ccc(-c2noc(CN3CCN(Cc4csc(C(C)C)n4)CC3)n2)cc1 40105775 XMZGSBDEBVTEIO-UHFFFAOYSA-N 397.548 3.943 0 40 GHAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 40135155 PEXWGUJULWWFKE-AAEUAGOBSA-N 380.366 3.691 0 40 GHAB COc1ccc(CCN(C)C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1OC 40135225 SLBDFRDGHLCYFR-UHFFFAOYSA-N 385.508 3.847 0 40 GHAB CCC(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)C1 47197027 UBQPUPPLBZKFQX-HNNXBMFYSA-N 385.489 3.600 0 40 GHAB CC(=O)NCC1CCN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 48374810 PPWFWVSTWMJGLR-ZWKOTPCHSA-N 397.544 3.721 0 40 GHAB C[C@@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)N1CC(=O)Nc2ccccc21 57452453 RTCYGJVRJIWVLR-VFNWGFHPSA-N 391.496 3.801 0 40 GHAB CSc1nc2ccccc2c(=O)n1CC(=O)c1ccc(Br)s1 57486406 DONOYGAKVDBJBM-UHFFFAOYSA-N 395.303 3.825 0 40 GHAB C[C@@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1ccc2c(c1)CCC(=O)N2 57495870 FITPQINGXJEHCH-CYBMUJFWSA-N 394.862 3.901 0 40 GHAB CCc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cnn1-c1ccc(F)cc1 58155740 HNVUSAWLKUSHHK-LJQANCHMSA-N 392.478 3.578 0 40 GHAB O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1CCOc2ccccc21 63464489 YPKZXKSDFJXRBE-TZIWHRDSSA-N 379.504 3.722 0 40 GHAB Cc1ccc(-c2nc(C[S@](=O)[C@@H](C)C(=O)Nc3cc(C)on3)cs2)cc1 71801248 IPHFQDZCLXFJLR-WHDAMIPWSA-N 389.502 3.691 0 40 GHAB Cc1csc(CN(C[C@@H]2CCCO2)C(=O)COCc2ccccc2Cl)n1 72303179 GDJQXKHXIQSPDM-INIZCTEOSA-N 394.924 3.829 0 40 GHAB O=C(C[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(c2cccc(Cl)c2)CC1 72306835 GAHRZTDTQJPNIA-FQEVSTJZSA-N 397.950 3.901 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1)Nc1nccs1 72353023 FEDCCULXCHATOT-MRXNPFEDSA-N 398.467 3.591 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 72377546 XITXDTALGAPOKQ-MRXNPFEDSA-N 380.839 3.641 0 40 GHAB Cc1cccc(C2(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)CCOCC2)c1 72391800 NVPGGWLTYURJRB-NRFANRHFSA-N 384.495 3.601 0 40 GHAB COc1nc(C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)cc2ccccc12 84326143 RBZADKPMZXTOHZ-UHFFFAOYSA-N 378.428 3.680 0 40 GHAB O=C(COc1ccc(Cl)cc1)NCC(O)(c1cccs1)c1cccs1 90617135 OHXCEUBVAQNIIC-UHFFFAOYSA-N 393.917 3.894 0 40 GHAB COc1cc(NC(=O)c2ccc3c(c2)N(C)CC3)cc(OC)c1Br 96011276 SIAAXZXUZXHUJC-UHFFFAOYSA-N 391.265 3.711 0 40 GHAB O=C(NC1CC1)N1CCC2(CC1)CC(=O)N(c1ccccc1)c1ccccc12 96080276 XOXCYLDQPRGKES-UHFFFAOYSA-N 375.472 3.961 0 40 GHAB CC(C)N1c2sc(-c3ccccc3)nc2C[C@@H]1C(=O)NCc1ccncc1 96264432 GKJDRWBQFPEISK-GOSISDBHSA-N 378.501 3.661 0 40 GHAB Cc1ccc([C@H]2N=C(NCc3ccc(Cl)cc3)Nc3nc(C)cc(=O)n32)cc1 100134425 GABAKYXNRDLJOA-IBGZPJMESA-N 393.878 3.632 0 40 GHAB Cc1cccnc1NC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O 100630023 OQWLSHFUXLODJG-UHFFFAOYSA-N 385.423 3.711 0 40 GHAB CCn1/c(=N/C(=O)c2ccc(OC)cc2OC)sc2cc(F)cc(F)c21 100909234 MWTCFIRIZUXQNQ-UZYVYHOESA-N 378.400 3.759 0 40 GHAB CCc1ccc(C(=O)c2cnc3ccc(OC)cc3c2N2CCOCC2)cc1 101551992 OUEJTBVTQMWRCG-UHFFFAOYSA-N 376.456 3.873 0 40 GHAB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3ccc(C)cc3C=C[C@H]21 103460433 QXDMQYKEMQIMIQ-UAFMIMERSA-N 394.515 3.596 0 40 GHAB CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)CC1 113958213 PWTRRIIRXVMTDM-UHFFFAOYSA-N 394.443 3.638 0 40 GHAB CC(C)Sc1ccc(CC(=O)NC[C@H]2CCCN2c2nccs2)cc1 206778289 OOQNSDOTOINYLF-MRXNPFEDSA-N 375.563 3.971 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 207998547 CKENVXOIXPMPDK-HNNXBMFYSA-N 399.834 3.637 0 40 GHAB Cc1cccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 223791738 WNDRKWQCEOEWEW-LJQANCHMSA-N 394.515 3.850 0 40 GHAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 223915476 LFACWRWFGFJPTI-UXHICEINSA-N 377.517 3.663 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 225183561 TVPKATQCEVDIOV-CQSZACIVSA-N 376.909 3.595 0 40 GHAB CSc1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1C(=O)N1CCC(C)CC1 225213666 CBERDDNWTGUJBM-HNNXBMFYSA-N 398.594 3.603 0 40 GHAB COc1ccc(C(F)(F)F)cc1Nc1ncnc2c1cnn2C1CCNCC1 228941002 NFKFYZFWXFKXPK-UHFFFAOYSA-N 392.385 3.522 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@](O)(c1ccsc1)c1cccs1 253400196 KWQMFEWBRILIOG-XXIDSNJLSA-N 399.493 3.604 0 40 GHAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cncs3)C2)o1 257210671 BVQRLCCHVWGMGO-HNNXBMFYSA-N 383.473 3.750 0 40 GHAB Cc1cc(N2CCO[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)nc(C)n1 257299686 RRBRIGLGSWQNNT-LJQANCHMSA-N 376.464 3.513 0 40 GHAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CCC(=O)NCC(=O)O)ccc3O2)cc1 257315680 VCKBDQZTXDPYML-DEOSSOPVSA-N 395.499 3.880 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257329252 XJBXMVVYKZCECZ-USVVZMPESA-N 381.520 3.669 0 40 GHAB COc1ccc(CN2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 306129406 ICDATFRAJWNURO-HXUWFJFHSA-N 385.471 3.789 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3ccccc3F)C[C@@H]2N1Cc1ccccc1 306130990 JUCZTYJIMVSQHR-YADHBBJMSA-N 375.447 3.709 0 40 GHAB CCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 408987351 WQVIDKTZXOTMRR-IBGZPJMESA-N 381.501 3.907 0 40 GHAB O=C(N=c1cc(-c2ccccc2)[nH][nH]1)c1ccc2c(c1)nc(O)n2C1CCCC1 512190558 YMDPVGVBJAGXQQ-UHFFFAOYSA-N 387.443 3.921 0 40 GHAB O[C@@H]1[C@@H](NCCc2ccc3c(c2)OCO3)CCC[C@H]1Oc1ccc(Cl)cc1 585290411 WBQWPWLHZZVQSL-FBBABVLZSA-N 389.879 3.562 0 40 GHAB Cc1ccnn1-c1ccc(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)cc1 591249407 CHTVVMQEIGBJNG-GOSISDBHSA-N 390.487 3.826 0 40 GHAB CC1(C)C[C@@H]2CN(C(=O)c3ccn(C(F)F)n3)CC[C@@H]2N1c1ccc(F)cc1 1615155545 ISWOJBBCPRFYNQ-DYVFJYSZSA-N 392.425 3.937 0 40 GHAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 1889214428 YMYDMXZZWBHFDO-UHFFFAOYSA-N 397.910 3.671 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2sc(-c3ccccc3F)nc2C)CC1 12408339 GAEQEKFYOWNDAO-UHFFFAOYSA-N 376.453 3.673 0 40 GHAB COc1ccccc1[C@H]1CC(=O)Nc2c(C(=O)O)cn(-c3cc(F)cc(F)c3)c21 61719063 RYCNCLSWTYQXTG-OAHLLOKOSA-N 398.365 3.936 0 40 GHAB Cc1ccc(NC(=S)N(CCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 878471 SNMRHHVLVISLNM-UHFFFAOYSA-N 395.528 3.645 0 40 GHAB O=C(COc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1)c1ccccc1 1418468 ZIIIEDPBYSRATB-UHFFFAOYSA-N 398.422 3.781 0 40 GHAB COc1ccc(-c2ccc(SCC(=O)Nc3nc(C)c(C)s3)nn2)cc1 1332393 RORQOOOXIGTFEK-UHFFFAOYSA-N 386.502 3.956 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3)n2)cc1OC 2201603 NEKHKDIHOJKXPX-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2cccc(F)c2)CC1 959119 BOCCGVCABZZCHS-UHFFFAOYSA-N 381.373 3.849 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)OC1CCCCC1 4161370 XPSXRXAKIKKDNB-UHFFFAOYSA-N 398.488 3.949 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(COc2ccc(F)cc2)o1 4169654 BFFPESDEYHARQL-CHWSQXEVSA-N 379.457 3.669 0 40 GHAB CC(=O)Nc1cccc([C@H](C)NC(=O)Cc2ccc(F)c(Br)c2)c1 54710503 RIQCGPQUFCTCRK-NSHDSACASA-N 393.256 3.967 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 7495531 QRJCHWIISZIMMZ-QGZVFWFLSA-N 389.455 3.726 0 40 GHAB CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1cccc(NC(C)=O)c1 7605245 HQAAHOZLVXGXOK-UHFFFAOYSA-N 396.472 3.914 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1 100403458 OIGPFCBNKUJPEC-WRWLIDTKSA-N 384.501 3.714 0 40 GHAB O=C1CCCN1Cc1nnc(Sc2cc(C(F)(F)F)nc3ccccc23)o1 24864238 QNZVMNGJLHPBDP-UHFFFAOYSA-N 394.378 3.910 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c1 24928389 XJARJQPQRLQPOG-MRXNPFEDSA-N 392.546 3.713 0 40 GHAB Cc1cccc(NC(=O)Cc2nc3sc4c(c3c(=O)[nH]2)CCCS4)c1C 55502757 KJTDNMAGUJPEBG-UHFFFAOYSA-N 385.514 3.821 0 40 GHAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NOCc1ccccc1 25285364 XNJFDFJOCARQMQ-UHFFFAOYSA-N 381.432 3.992 0 40 GHAB COc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C(=O)O)c3)cc2)c1 8470079 TWUJDPUBPFLNFU-UHFFFAOYSA-N 390.395 3.898 0 40 GHAB CCCCC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 8503452 IBIARGGHIFOWNN-MWTRTKDXSA-N 395.503 3.692 0 40 GHAB O=C(COC(=O)c1cccc(Br)c1)N[C@@H]1CCCc2ccccc21 3246212 IBUZDZXZFWZNEK-QGZVFWFLSA-N 388.261 3.800 0 40 GHAB CCCNC(=O)Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 57486987 NHLPUZYPJXWJIR-UHFFFAOYSA-N 394.353 3.630 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2)c(Nc2cccc(F)c2)n1 57506199 LYEPXGKLIWEBKP-UHFFFAOYSA-N 386.814 3.727 0 40 GHAB Cc1ccc2nc(NC(=O)c3c(O)c4cccc5c4n(c3=O)CCC5)sc2c1 100613830 ATTNJZHKCFZPKV-UHFFFAOYSA-N 391.452 3.824 0 40 GHAB COc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1OC 12745312 AUBRQDKCFPWJNP-ZDUSSCGKSA-N 375.446 3.832 0 40 GHAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(Oc2ccc(F)cc2)cc1 12783594 BXNTYVVAASFLQE-UHFFFAOYSA-N 375.363 3.846 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1OC 28328761 FNWGNCTUMZAJCT-LLVKDONJSA-N 389.395 3.762 0 40 GHAB Cc1ccc(NC(=O)COC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 3340010 NAQZYHCYOORRQA-UHFFFAOYSA-N 393.443 3.535 0 40 GHAB Cn1c(-c2ccc(Br)cc2)cnc1S[C@@H]1CCCCNC1=O 10989624 HDAVKRGHNFWKSE-CQSZACIVSA-N 380.311 3.610 0 40 GHAB CSc1cccc(NC(=O)CN2C(=O)[C@@H](C(C)C)N=C(O)c3ccccc32)c1 97531527 JRWKUGWDJMMJMC-LJQANCHMSA-N 397.500 3.723 0 40 GHAB CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2ccccc2Br)C1 48354111 IVFFTVIYDRSGCU-CYBMUJFWSA-N 397.313 3.826 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)cc1 48302710 PQPDIVVUMIPHQD-HXUWFJFHSA-N 398.528 3.982 0 40 GHAB CCOC(=O)N[C@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)CC(C)C 58847884 QGUKXJDNAKYFCS-AWEZNQCLSA-N 375.391 3.988 0 40 GHAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 2695476 CGOGNCGSSWNJML-RTGRKSDTSA-N 388.489 3.885 0 40 GHAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(S(=O)(=O)C(F)F)cc1 12814138 LTOBYXBWZFAHCT-NEPJUHHUSA-N 385.354 3.534 0 40 GHAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(-n2cnnn2)cc1 3425851 SWXQWZPRJJSNNW-UHFFFAOYSA-N 388.865 3.753 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(Nc3cccc(C)c3C)s2)no1 3463221 UHMHQCSETZUIOW-UHFFFAOYSA-N 375.479 3.926 0 40 GHAB O=C(O)CCc1oc2cc(O)c(Cl)cc2c(=O)c1-c1nc2ccccc2[nH]1 23211648 PUCIMLPGGHNSKI-UHFFFAOYSA-N 384.775 3.713 0 40 GHAB COc1cccc(Cn2cc(NC(=O)[C@H]3CCCN3Cc3ccccc3)cn2)c1 28236483 REARXPPZEWBQNZ-JOCHJYFZSA-N 390.487 3.543 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1 64476493 CVJYJDLUEDGRQO-UHFFFAOYSA-N 378.519 3.595 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2Cl)cc1 9237322 XMNXZKYRQFADIP-DLBZAZTESA-N 399.907 3.946 0 40 GHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 5528776 HOKKWCISZYNDEX-SNVBAGLBSA-N 378.881 3.785 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccc(OC)c1 5500575 YVBPOBNQSFFLOG-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB O=C(c1ccc(F)cc1)N1CC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306139594 TVNPPQBFWXRYCG-SFHVURJKSA-N 387.418 3.560 0 40 GHAB COCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 4816649 WZFPEJNXTPFOQL-MSOLQXFVSA-N 382.851 3.645 0 40 GHAB C[C@@H]1CCCN(C(=O)CSc2nc3sccc3c(=O)n2-c2ccccc2)C1 6907567 KPGDTFZYOQTVQV-CQSZACIVSA-N 399.541 3.798 0 40 GHAB COc1cc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc(OC)c1 5981766 POYJPWOWCWSMHJ-UHFFFAOYSA-N 377.853 3.964 0 40 GHAB CCSc1nc2n(n1)[C@H](C(C)C)C(C(=O)Nc1ccccc1OC)=C(C)N2 80324739 YXUQSUOGZMIJNH-MRXNPFEDSA-N 387.509 3.934 0 40 GHAB Cc1cccc(NC(=O)Cc2nc(-c3cc(C)n(-c4ncn[nH]4)c3C)cs2)c1 7845498 WZHHJMXXBGABJK-UHFFFAOYSA-N 392.488 3.825 0 40 GHAB C[C@H](NC(=O)Cn1cnc2ccc(Cl)cc2c1=O)c1ccc2c(c1)CCCC2 7931835 UVWOORAUKPBGQH-AWEZNQCLSA-N 395.890 3.806 0 40 GHAB COc1ccc(NC(=O)c2ccc(NC(=O)CN3CCC[C@H](C)C3)cc2)cc1 16446275 ZVYPGBFBNIPRPB-INIZCTEOSA-N 381.476 3.618 0 40 GHAB Cc1ccc(C(=O)N(Cc2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)cc1 16742219 RJBIXESPEJZZHX-OAQYLSRUSA-N 393.508 3.978 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(O)cc1)N(C[C@H]1CCCO1)C3=O 16741806 CHBFSNIWHLXWAH-OXQOHEQNSA-N 391.423 3.531 0 40 GHAB C[C@H](NC(=O)NCc1cccc(CN2CCCC2)c1)c1ccc2c(c1)OCCO2 70007184 KDJXMMLAGVLVGJ-KRWDZBQOSA-N 395.503 3.614 0 40 GHAB COc1ccccc1OCCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 8344540 GLOGMNCEYJKWEJ-UHFFFAOYSA-N 394.475 3.707 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N1C(=O)NC2(CCCCCCC2)C1=O 9683053 GQSYWHKGDMHEEH-QZTJIDSGSA-N 399.535 3.547 0 40 GHAB COc1ccc(CN[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC 9834717 WZINCBKDQLPAQY-QGZVFWFLSA-N 397.519 3.811 0 40 GHAB C[C@H](NC(=O)/C=C/c1cc(Br)cs1)[C@@H](O)Cc1ccccc1 84139692 SQKYUSHIAPEODH-OSTNNTLRSA-N 380.307 3.632 0 40 GHAB Cc1ccc(OC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(C)c1 24495263 RBQDZOFYTRVKFP-CYBMUJFWSA-N 399.921 3.777 0 40 GHAB CCN(Cc1nonc1C)C(=O)c1ccc(COc2ccc(Cl)cc2)o1 28235027 OXENJFVBMXCZRH-UHFFFAOYSA-N 375.812 3.866 0 40 GHAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 32610365 IPLKGIOSBCGCBO-HZPDHXFCSA-N 395.381 3.780 0 40 GHAB CC1=C[C@@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 30880183 JVUBVKXKUPQSRH-BJLQDIEVSA-N 377.573 3.998 0 40 GHAB biogenic,in-vitro CCCC(=O)NC(=S)Nc1cc(Br)c(O)c(Br)c1 32116729 SDIWPTZWMIAHAK-UHFFFAOYSA-N 396.104 3.530 0 40 GHAB CN1c2ccc(C(=O)Nc3ccccc3F)cc2-c2ccccc2S1(=O)=O 33088667 JLUACALHBKJCHU-UHFFFAOYSA-N 382.416 3.884 0 40 GHAB C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)C(c1ccccc1)c1ccccc1 31381097 XWFVQQZBPQVXTN-QGZVFWFLSA-N 390.458 3.892 0 40 GHAB Cc1cccc([C@H]2CCN(C(=O)COc3cccc(NC(=O)C4CC4)c3)C2)c1 541373300 GPUPVYRGIRMSAG-IBGZPJMESA-N 378.472 3.738 0 40 GHAB O=C(NC1CCCC1)c1cc([C@H]2CCCN(CCCc3ccccc3)C2)n[nH]1 72380620 QNUUWZWNDMXKBJ-IBGZPJMESA-N 380.536 3.894 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)c(Cl)c1 30753306 KCPUAHHOUFZLPT-LBPRGKRZSA-N 377.824 3.931 0 40 GHAB COc1ccc([C@@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)cc1 66089775 PBNMAIKDBGLIHP-INIZCTEOSA-N 384.432 3.795 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O)Nc1ccc(F)cc1 38178031 GHTLKKNNGZIDRI-MFOYZWKCSA-N 395.415 3.982 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1cccc(OCc2cccnc2)c1 71282771 GNEPDRIILBHQNV-QGZVFWFLSA-N 378.432 3.855 0 40 GHAB O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCN(c2ncccn2)CC1 34892381 SLPDENLVPPBSJD-JOCHJYFZSA-N 397.482 3.704 0 40 GHAB CCOC(=O)c1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)ccc1Cl 219203370 INZRBYPMNQELMP-UHFFFAOYSA-N 386.835 3.896 0 40 GHAB Cc1cc2ncc(CN(C)C)c([C@H]3CCCN3C(=O)c3ccc(Cl)cc3)n2n1 72377294 JAHBCTQBFZFYAE-GOSISDBHSA-N 397.910 3.730 0 40 GHAB O=C(CSc1ncnc2c1[nH]c1ccccc12)Nc1ccc2c(c1)OCO2 33172438 AROWNHFULHZGQG-UHFFFAOYSA-N 378.413 3.571 0 40 GHAB O=C(c1ccncc1)N1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 72378156 CSZWEQNKKHKVGR-INIZCTEOSA-N 396.878 3.709 0 40 GHAB COc1ccc(-c2nnc([C@H]3CCCN(C(=O)c4cc(C)on4)C3)s2)cc1 36705201 UNDKQBARGJGIEG-AWEZNQCLSA-N 384.461 3.530 0 40 GHAB O=C(Nc1c(F)cccc1F)c1cc(=O)c(OCc2ccccc2F)co1 40287364 PCZGIJMCGWXQCG-UHFFFAOYSA-N 375.302 3.888 0 40 GHAB O=C(NCc1cccs1)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 44006022 ZZIYJGWRTGHUJW-UHFFFAOYSA-N 390.484 3.631 0 40 GHAB CC(C)[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 225215465 NHJUAKNAQCFIOZ-ZDUSSCGKSA-N 380.897 3.915 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)c1 40134353 GOQYGSKZBRWJPR-VSGCLNPGSA-N 385.460 3.920 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCCCC3)c2)c1 224132102 KONHDGRHBBOVSH-UHFFFAOYSA-N 386.517 3.836 0 40 GHAB COc1ccc(-c2nnc(NC(=O)CCc3ccc4c(c3)OCCO4)s2)cc1 222739646 FVVSPUCNLUEWPQ-UHFFFAOYSA-N 397.456 3.556 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)CSCc3cccc(C)c3)n2)c1 222747519 RQENQZCJVZFFAE-UHFFFAOYSA-N 397.500 3.945 0 40 GHAB O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1CC[C@@H](c2nc[nH]n2)C1 572276847 NNRROQVVFZFGQH-SECBINFHSA-N 394.287 3.865 0 40 GHAB CCn1c(Cl)nc2cc(C(=O)NCCC(=O)Nc3ccc(C)cc3)ccc21 222549275 PCCZMQVUYSZXBM-UHFFFAOYSA-N 384.867 3.777 0 40 GHAB COc1ccc(CN(C(=O)CCc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 225675716 FLIAHXHTJONNGA-LJQANCHMSA-N 396.531 3.878 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c(C)c1 225102984 YZRIKFDFWKZWIR-UHFFFAOYSA-N 383.853 3.635 0 40 GHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc(C)c(C)cc1C 225647212 NEATVHWAHJUPFX-UHFFFAOYSA-N 390.505 3.559 0 40 GHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCC 223266184 MPIVYBZDDJUBBB-OAQYLSRUSA-N 382.504 3.571 0 40 GHAB CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)O)c2ccc3ccccc3c2)CC1 90635862 MAKZZXDCBWXPEM-IBGZPJMESA-N 384.476 3.908 0 40 GHAB O=C(CCc1cccnc1)N1CC[C@]2(CCCN2Cc2ccc(Cl)cc2)C1 96071080 OZRDNHUEBVJCAO-JOCHJYFZSA-N 383.923 3.935 0 40 GHAB CC[C@@H](CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1)OC 257302863 SESQGDBPAQUADP-NRFANRHFSA-N 382.504 3.629 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96025422 GAKZWFWTSPVTAQ-INIZCTEOSA-N 398.406 3.786 0 40 GHAB O=C(N[C]1N=C(c2ccccc2)c2ccccc2NC1=O)Nc1ccccc1F 1560404632 XNIHVPFHDWMKHF-UHFFFAOYSA-N 387.394 3.926 0 40 GHAB COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N[C@H]4CCCC[C@H]4C)ccc32)cc1 5001836 DYKAIVVXFKJHPW-BEFAXECRSA-N 393.487 3.695 0 40 GHAB COc1cccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(C(C)C)cc2)c1 5033806 ULJOPAMVVXRYBO-CQSZACIVSA-N 397.504 3.914 0 40 GHAB CC(C)c1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1N 5580976 CXSZUZRQIOOYIP-UHFFFAOYSA-N 383.477 3.638 0 40 GHAB Cc1ccc(C2(C(=O)NCCc3nc(-c4ccncc4)n[nH]3)CCCCC2)cc1 12114875 DIDGRYREQOVFHB-UHFFFAOYSA-N 389.503 3.736 0 40 GHAB Cc1cnc(-c2nc(NCc3ccccc3F)ncc2-c2cc(C)no2)cn1 12154461 FTZMKYNMSMVNCR-UHFFFAOYSA-N 376.395 3.957 0 40 GHAB CCOc1ccc(OCCCC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1 12628048 MQFGUCYMUZMEIV-QFIPXVFZSA-N 393.487 3.884 0 40 GHAB Cc1ccccc1-n1[nH]c(-c2cnn3c(C(F)F)cc(C4CC4)nc23)cc1=O 19237565 ZRLRFDKLBLXEDL-UHFFFAOYSA-N 381.386 3.999 0 40 GHAB CCCC(=O)N1CCN(CCC)C(=O)[C@@H](Cc2cccc(-c3ccncc3)c2)C1 19501440 KORNMCMZKNFJRM-QFIPXVFZSA-N 393.531 3.788 0 40 GHAB COc1ccccc1CN1CCCC[C@H]1c1cc(O)nc(-c2ccccn2)n1 19570404 WLWOVSAWFOVHSB-IBGZPJMESA-N 376.460 3.980 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1ccc(Cl)cc1 6219957 ZETYOXVBLBFZHI-RMKNXTFCSA-N 375.808 3.796 0 40 GHAB CC1(C)C[C@@H](NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)c2ccccc2O1 19659871 DDDYLJYMRNGKLT-CQSZACIVSA-N 386.835 3.667 0 40 GHAB CC(C)(C)NC(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1888910708 WVJMJQRSOZUZQI-UHFFFAOYSA-N 390.491 3.774 0 40 GHAB O=C(c1cc(C2CC2)ncn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1888965145 JJLQXXBSTHXGBH-UHFFFAOYSA-N 398.510 3.901 0 40 GHAB CSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1 4148143 DHAGYOGZERECTJ-UHFFFAOYSA-N 382.514 3.667 0 40 GHAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc4ccccc4c3)o2)c1 5240553 KGERHCOGLHGIEU-UHFFFAOYSA-N 393.424 3.546 0 40 GHAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-n1cccc1 5242431 BXKPQANHEQWIHZ-UHFFFAOYSA-N 379.445 3.690 0 40 GHAB CCc1ccc2nc(N(Cc3ccccn3)C(=O)C3=COCCO3)sc2c1 5265095 ILOMZACWPKLLGR-UHFFFAOYSA-N 381.457 3.675 0 40 GHAB Cc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)cc1C 5252866 NDMDTNKSIKJACU-UHFFFAOYSA-N 391.471 3.570 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)c(C)c1C 13849431 ACJIHCOIAKBUPJ-UHFFFAOYSA-N 388.533 3.660 0 40 GHAB CN(C)[C@@H](CNC(=O)c1ccc2nsnc2c1)c1csc2ccccc12 575620005 HJRBYGIWRHXYNO-KRWDZBQOSA-N 382.514 3.939 0 40 GHAB COC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccc(C)cc3)nn2)cc1 4356030 JRFXDMAOWDFSCM-UHFFFAOYSA-N 393.468 3.969 0 40 GHAB CCc1ccc(N2C[C@@H](c3nnc(NC(=O)C(C)(C)CC)s3)CC2=O)cc1 20192415 BHTYUMALNGUJCX-AWEZNQCLSA-N 386.521 3.996 0 40 GHAB CC(C)CCNC(=O)C1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 40266169 IBBAOSMMUBJNLP-UHFFFAOYSA-N 386.565 3.949 0 40 GHAB COc1ccccc1CNC(=O)N(C)Cc1cc(Br)ccc1OC 30979996 BLCDNMSBARAOAV-UHFFFAOYSA-N 393.281 3.808 0 40 GHAB O[C@H](CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Br)cc1 20218794 FBLXGXZXGWUZBO-GOSISDBHSA-N 395.728 3.958 0 40 GHAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(C)ccc2C)c1=O 51357725 JVQCQASGQAHULC-UHFFFAOYSA-N 393.487 3.609 0 40 GHAB COc1ccc(C(=O)Nc2cc(C)nn2Cc2ccc(OC)c(OC)c2)cc1 20732029 XJCGILLYWXRRRI-UHFFFAOYSA-N 381.432 3.518 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)c1sc2ncn(C)c(=O)c2c1C 51865314 WLWTXZWPNKTTQF-UHFFFAOYSA-N 381.910 3.681 0 40 GHAB COc1ccc([C@H]2CCCN2CCC(=O)N2CCc3ccccc32)c(OC)c1 32870884 HAQQFRYQMYYJAO-OAQYLSRUSA-N 380.488 3.820 0 40 GHAB Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCSc2ccc(Cl)cc21 32809530 OXQMFZKHKUMHKT-UHFFFAOYSA-N 399.903 3.887 0 40 GHAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 32914062 CSCJQDLATWSMOS-UHFFFAOYSA-N 382.420 3.603 0 40 GHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3C)ccc2Cl)cc1 33026199 SMLXCGDRFIWYLD-IAQYHMDHSA-N 394.880 3.744 0 40 GHAB C[C@@H]1Cc2cc(-c3csc(NCc4ccco4)n3)ccc2N1S(C)(=O)=O 21908556 QVOOCQOTPVPZDV-GFCCVEGCSA-N 389.502 3.726 0 40 GHAB CC(C)CN(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCC1)c1cccs1 800230 PZMOFVYKMJCTIH-AWEZNQCLSA-N 376.444 3.895 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C)c(C)c3)C2=O)cc1 956182 DHTRZRRJVYAGMR-UHFFFAOYSA-N 398.846 3.916 0 40 GHAB COc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccc(C(C)(C)C)cc3)C2)n1 1344114 YFCUYUOSNZZINH-INIZCTEOSA-N 382.508 3.946 0 40 GHAB CC(C)N(C(=O)CSc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 1440126 JTGWLNJLOODFJX-UHFFFAOYSA-N 387.896 3.849 0 40 GHAB Cc1ccc(S(=O)(=O)CCCCCS(=O)(=O)c2ccc(C)cc2)cc1 2127154 FLRPDRMZRYBCJM-UHFFFAOYSA-N 380.531 3.721 0 40 GHAB O=c1c2c3c(sc2nc(NCCO)n1-c1cccc(Cl)c1)CCCCC3 2352259 XDKZVEYCGKRAJW-UHFFFAOYSA-N 389.908 3.774 0 40 GHAB O=C(COC(=O)c1ccccc1NCc1ccco1)Nc1cccnc1Cl 3327582 QLKWOJXZFNJQAC-UHFFFAOYSA-N 385.807 3.736 0 40 GHAB O=S(=O)(NCc1ccc(F)cc1)c1ccc(Br)cc1Cl 3452159 MJOAYVBKUHQCTH-UHFFFAOYSA-N 378.650 3.720 0 40 GHAB O=C(COc1ccc(Cl)cc1Br)NC(=O)NCc1ccccc1 3510355 PJIXKRXOTNBRNV-UHFFFAOYSA-N 397.656 3.507 0 40 GHAB COc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OC 3652772 ZNHPLVXOUMUZOT-NVNXTCNLSA-N 390.798 3.589 0 40 GHAB CCc1cc(=O)oc2cc(OCC(=O)NCCc3c[nH]c4ccccc34)ccc12 4085292 KXHPETMUSNUPGS-UHFFFAOYSA-N 390.439 3.574 0 40 GHAB biogenic COc1ccc(-n2nc3c(c2NC(=O)c2cc(C)cc(C)c2)C[S@@](=O)C3)cc1 4224533 YLSOOFMUWAMZHR-NDEPHWFRSA-N 395.484 3.512 0 40 GHAB O=C(NC1CCCCC1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccccc3)ccc(=O)n1C2 4258784 RLNORFWACVMLNM-PKOBYXMFSA-N 391.515 3.977 0 40 GHAB biogenic,in-vitro Cc1ccc(NC(=O)C(=O)NCCSc2nc(-c3ccccc3)c[nH]2)c(C)c1 4315905 QXAMPMQHUXFPQK-UHFFFAOYSA-N 394.500 3.541 0 40 GHAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc(C)c2)c2ccco2)cc1 4519102 ZXTBIZHHNKDSKL-FQEVSTJZSA-N 383.469 3.841 0 40 GHAB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)c1 4696364 WJQAJTILZIUACO-WQRHYEAKSA-N 396.468 3.987 0 40 GHAB COc1ccc(-c2noc([C@H](C)NC(=O)c3ccccc3Cl)n2)cc1OC 4998148 VDFRCZHNTGLUCW-NSHDSACASA-N 387.823 3.898 0 40 GHAB C[C@H](c1ccccc1)n1c(SCC(=O)N2CCCC2)nc2ccccc2c1=O 5103383 OXDPJYXSZOJOFM-MRXNPFEDSA-N 393.512 3.720 0 40 GHAB O=c1c2ccccc2nc(SCc2ccc3c(c2)OCO3)n1C[C@@H]1CCCO1 5129738 SZDCFVIUOZRMLJ-HNNXBMFYSA-N 396.468 3.597 0 40 GHAB CS(=O)(=O)N1CCCc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc21 5136729 YUQPTEMNLDYHRU-UHFFFAOYSA-N 398.406 3.670 0 40 GHAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc3c2N1CCC3 5154150 DIPDWBSCOQSTFY-UHFFFAOYSA-N 394.855 3.505 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1ccccc1C 5255029 LOWJXSOKGLOSAU-UHFFFAOYSA-N 378.428 3.605 0 40 GHAB C[C@@H]1CCN(C(=O)COC(=O)c2ccc(N(C)C)cc2)c2ccccc2S1 5403554 ARAKXWYWLNTDMW-OAHLLOKOSA-N 384.501 3.827 0 40 GHAB CCCCCOC(=O)[C@H](C)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 5411118 JYPWHWNYJQOZIK-HNNXBMFYSA-N 381.428 3.988 0 40 GHAB Clc1ccccc1-c1nnc2n1N=C(c1ccc3c(c1)OCCO3)CS2 5414214 BLOAMVGXWFAWFV-UHFFFAOYSA-N 384.848 3.728 0 40 GHAB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1CC(F)(F)F 6098354 ZYCRANONPVPCIX-UHFFFAOYSA-N 386.443 3.960 0 40 GHAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)/C(=C\c1ccccc1)NC(C)=O 6168298 LNGOGKVGBVJURQ-ZFMLPXDISA-N 394.471 3.859 0 40 GHAB Cc1cccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccc(Cl)cc2)c1 6450670 BAPYZMWMTCKDQL-UHFFFAOYSA-N 394.924 3.616 0 40 GHAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccc3c(c2)OCO3)cc1 6668273 QQPYDLFOXKZNHL-VUIMYGBESA-N 375.380 3.519 0 40 GHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1O 6959979 UGXNWIXPSFPMJM-WOJGMQOQSA-N 383.425 3.710 0 40 GHAB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1 6962347 TVGXUXALFKPDTD-YDZHTSKRSA-N 391.427 3.565 0 40 GHAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 7006811 SVGZIZOUFRUJAQ-JTQLQIEISA-N 378.803 3.926 0 40 GHAB CC1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)CC1 7260647 FLZDLNAACWVWCA-CYBMUJFWSA-N 378.929 3.875 0 40 GHAB O=C(CN1CCC[C@@H]2CCCC[C@@H]21)Nc1ccccc1C(=O)NC1CCCC1 7587943 RHUHXIQOBMIQAH-UWJYYQICSA-N 383.536 3.952 0 40 GHAB O=C(CN(Cc1ccccc1F)C1CC1)Nc1ccc(N2CCCC2=O)cc1 7872385 NCJRSOKULDKFMF-UHFFFAOYSA-N 381.451 3.556 0 40 GHAB Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 8120887 VUTDZMUYJRVSPL-FOIQADDNSA-N 383.492 3.563 0 40 GHAB C[C@@H](CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1 8315029 PSSQAKYNLUYTGK-HNNXBMFYSA-N 377.440 3.580 0 40 GHAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(NC(=O)C(F)(F)F)c1 8412336 PVHMUQOHYQYKSA-UHFFFAOYSA-N 394.349 3.600 0 40 GHAB CCOc1ccc(S(=O)(=O)NCCSc2ccc(C)cc2)cc1OCC 8493158 HVPXBQQQZKMAQA-UHFFFAOYSA-N 395.546 3.863 0 40 GHAB Cn1c(SCc2cc(Cl)c3c(c2)OCCCO3)nnc1-c1cccnc1 8705721 JUBJXSMDRWAJAE-UHFFFAOYSA-N 388.880 3.984 0 40 GHAB CC(C)CNC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10433971 LRDYQVNILCKOMB-UHFFFAOYSA-N 394.924 3.692 0 40 GHAB Cc1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10434179 KVMOXEPXINQWJX-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB Cc1cnc(C(=O)N2[C@H](COc3cccc(C(F)(F)F)c3)[C@H]3CC[C@@H]2C3)cn1 12085316 KRJLJPUJKHBOMI-JCKWVBRZSA-N 391.393 3.876 0 40 GHAB Cc1cc(C(F)F)n2nc(C(=O)NC3(c4ccc(F)cc4)CCCC3)nc2n1 12143139 MWROCUIERAHVBG-UHFFFAOYSA-N 389.381 3.709 0 40 GHAB CCc1cc(C(=O)Nc2ncc(-c3ccc(Br)cc3)n2C)on1 12147197 HXPDEEXGOMHITK-UHFFFAOYSA-N 375.226 3.652 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)cc1 12415214 CRNUZKROLBVTFI-UHFFFAOYSA-N 389.502 3.675 0 40 GHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccoc1 12630398 ZDBOTSVKFNXQMU-UHFFFAOYSA-N 378.356 3.611 0 40 GHAB CCNc1nnc(SC[C@H](O)COc2ccc(Cl)cc2Cl)s1 12745502 BMPLPLQEODLJPA-SECBINFHSA-N 380.322 3.809 0 40 GHAB CC(C)c1ccc([C@]2(C)NC(=O)N(C[C@@H](O)c3ccc(Cl)cc3)C2=O)cc1 12764058 KCOLOXUYVMNRBU-NQIIRXRSSA-N 386.879 3.964 0 40 GHAB COc1ccc(C)cc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12787962 TXQUHPNJBPMRMS-UHFFFAOYSA-N 397.500 3.683 0 40 GHAB COC(=O)c1cc(CNC(=O)c2ccc(-c3ccccc3)nc2C)ccc1OC 12816695 PYAUXOMTSXGALE-UHFFFAOYSA-N 390.439 3.782 0 40 GHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc4c(c3)CCC(=O)N4)o2)cc1 12851398 VNWGCXWFALFLMR-GFCCVEGCSA-N 393.399 3.548 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=S)Nc2ccc(Cl)cc2)c1 13798018 VYJUCSLXOQLXGN-UHFFFAOYSA-N 378.837 3.722 0 40 GHAB Cc1cc(N2CCN(C(=O)/C=C/c3ccc([C@@H]4C[C@H]4C)o3)CC2)nc(C(C)C)n1 14141503 HGIUHXVGGXTPDX-CGLHPVKESA-N 394.519 3.987 0 40 GHAB O=C(NCc1nnc2n1CCCCC2)c1cc(-c2cccnc2)nc2ccccc12 14485197 RYFSLAOUEKLZBG-UHFFFAOYSA-N 398.470 3.545 0 40 GHAB COc1ccccc1CNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 15653466 WGSDHZFANRRLHJ-GXYHREHHSA-N 396.531 3.519 0 40 GHAB O=C1CN(C(=S)NCCSc2ccc(Cl)cc2)c2ccccc2N1 18140231 HEVLJXYPGYJPAS-UHFFFAOYSA-N 377.922 3.765 0 40 GHAB C[C@@H](Cn1cncn1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 19457936 GESZJTLIVIFPJQ-JTQLQIEISA-N 396.303 3.907 0 40 GHAB COc1ccccc1NC(=O)c1cc([C@H]2CCCN(Cc3cccnc3)C2)no1 19571323 JUOOGYMPAMNLHC-KRWDZBQOSA-N 392.459 3.710 0 40 GHAB O=C1CCC[C@H]2[C@@H](C[C@@H](c3ccccc3F)N2C(=O)Cc2ccc(F)cc2)N1 19713458 MGAHWSRBSYZDCA-AABGKKOBSA-N 384.426 3.518 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)c1cnc(-c2ccccc2)[nH]c1=O 19937326 AWUMQRMFISWDMM-UHFFFAOYSA-N 381.435 3.956 0 40 GHAB COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1Cl 20462474 MOHCMEQGKOZTCI-UHFFFAOYSA-N 389.260 3.626 0 40 GHAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 20486570 ZVJJTKMEQUTMQP-QGZVFWFLSA-N 399.878 3.934 0 40 GHAB CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(CC)nn2c1C 20633711 IKOWEBVMEZHJMJ-UHFFFAOYSA-N 389.253 3.601 0 40 GHAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cn2cccn2)cc1 21922034 ASPLRPPJQFBFBH-UHFFFAOYSA-N 389.455 3.524 0 40 GHAB COc1cc(C(=O)NCCc2nc3ccccc3[nH]2)cc(Cl)c1OC(C)C 22314690 SQQIYOARLGSVBF-UHFFFAOYSA-N 387.867 3.985 0 40 GHAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cccc(NC(=O)C2CC2)c1 23510067 CZVHJPNOBNYRHO-UHFFFAOYSA-N 392.377 3.906 0 40 GHAB COc1ccc(OCCN(C)C(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 23648487 NGRKHKASCRLBDF-UHFFFAOYSA-N 383.473 3.694 0 40 GHAB COCc1c(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)oc2ccccc12 24738086 JJHNPOTXMWHGGZ-UHFFFAOYSA-N 380.444 3.907 0 40 GHAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc2c3c(cccc13)CC2 24871824 ZEKBXEMFLHPRIG-UHFFFAOYSA-N 391.471 3.522 0 40 GHAB Cc1ccc(Cc2nn3c(SCc4cccc(C)c4)nnc3nc2O)cc1 27300603 DMBKIENUVIMVGI-UHFFFAOYSA-N 377.473 3.725 0 40 GHAB Cc1ccc(SCCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 29882031 UPIPCMMVLRXFNT-UHFFFAOYSA-N 384.545 3.626 0 40 GHAB C[C@@H](NC(=O)c1cccs1)C(=O)N(C)Cc1ccccc1N1CCCCC1 29955903 LHOOGBUZWGOELI-MRXNPFEDSA-N 385.533 3.515 0 40 GHAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc2ccccc2o1 32751384 IVUITJDOOZOLJM-KRWDZBQOSA-N 396.443 3.508 0 40 GHAB CC[C@@H](C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 32818686 RJRIUJQONRIONQ-DHIUTWEWSA-N 379.548 3.675 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)c3cc4c([nH]c3=O)CCCC4=O)ccc2o1 33216065 VTSYMMQNQGKQII-UHFFFAOYSA-N 379.416 3.585 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1ccc(OC)cc1)CCCC3 35079584 ZNRGREFWBCWZAU-LJQANCHMSA-N 393.487 3.946 0 40 GHAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cc(C2CC2)nc2onc(C3CC3)c12 36617352 BXBDBPYMNOBNKK-JTQLQIEISA-N 379.464 3.819 0 40 GHAB O=S(=O)(Nc1ccccc1Br)c1c(Cl)nc2ccccn12 37555333 HNCLQAFLVFDGQV-UHFFFAOYSA-N 386.658 3.551 0 40 GHAB Cc1cc(F)ccc1NC(=O)C[C@@H](NC(N)=O)c1ccc(Br)cc1 40069361 UGCDJTVCRZGQAM-OAHLLOKOSA-N 394.244 3.635 0 40 GHAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)CCNC(=O)OC(C)(C)C 40108130 BWNYKMGONZPUJK-QGZVFWFLSA-N 389.540 3.592 0 40 GHAB CN(c1ccccc1)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O 40114467 AVRJEIKFMVCINR-UHFFFAOYSA-N 385.423 3.689 0 40 GHAB O=C(N[C@@H](C(=O)O)c1ccccc1)c1cc(-c2ccccn2)nc2ccccc12 40283456 RMIFFJDFFNVBAC-OAQYLSRUSA-N 383.407 3.853 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(Cc3ccco3)C3CC3)C2)c1 44979021 KEXJYISUDKUNDW-SFHVURJKSA-N 380.488 3.940 0 40 GHAB O=C(CCNc1ncccn1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 45055502 QEIOAIKZSNTMRZ-LJQANCHMSA-N 385.471 3.708 0 40 GHAB Cn1cc(-c2nc(C(=O)Nc3cnccc3Oc3ccccc3)cs2)cn1 58377785 BXDWAXKPODNWDV-UHFFFAOYSA-N 377.429 3.983 0 40 GHAB O=C(N[C@H]1COc2ccccc21)c1cc(-c2ccc(Br)cc2)n[nH]1 58969019 TYICLYHMFQKCOW-INIZCTEOSA-N 384.233 3.703 0 40 GHAB CO[C@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccccc1 62514027 IILZUIXUCHITOS-MSOLQXFVSA-N 390.277 3.737 0 40 GHAB CCOC(=O)c1ccc(NC2CCN(c3nc4ccccc4s3)CC2)nc1 65947077 MGPMMBNEMBPEEF-UHFFFAOYSA-N 382.489 3.949 0 40 GHAB Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)c1C 71327179 LXFBNYGSGFDJSF-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB CCN(C[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCCC3)C1)CC(F)(F)F 72311403 YSLCMXSPNNVKJI-KRWDZBQOSA-N 382.470 3.841 0 40 GHAB COc1ccccc1[C@@]1(O)CCC[C@@H]2CN(Cc3cnc(C(C)C)nc3)C[C@H]21 72340983 ZMAOSUYZYDLIEB-XQFWAAQXSA-N 381.520 3.728 0 40 GHAB COc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2ccncc2)C1 72362103 FQNDYMYCTRFZLD-QGZVFWFLSA-N 390.443 3.692 0 40 GHAB O=C(c1ccccc1Cl)N1CCN(CCn2ccnc2-c2ccccc2)CC1 77158876 DVIKHQQQRCVOSA-UHFFFAOYSA-N 394.906 3.662 0 40 GHAB O=C(O)c1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 79487211 YIMPFIPHYKDECP-MRXNPFEDSA-N 387.461 3.804 0 40 GHAB CCc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3C(C)C)CC2)s1 90560534 OZLYIQBQGYZXGR-UHFFFAOYSA-N 381.567 3.731 0 40 GHAB O=C(c1cnn(-c2ccccc2)c1Cl)N1CCN(c2ccc(F)cc2)CC1 95117436 DTUBOBJOLXTVFV-UHFFFAOYSA-N 384.842 3.627 0 40 GHAB CC(C)[C@H](NCC(=O)Nc1cccc(Cl)c1Cl)C(=O)OC(C)(C)C 95415960 RPADSGKHPSTFJK-HNNXBMFYSA-N 375.296 3.888 0 40 GHAB O=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1ccc2nsnc2c1 96121606 GJTWIHYIKUIRPD-UHFFFAOYSA-N 395.513 3.924 0 40 GHAB O=C(c1ccc2ncccc2c1)N1CCC2(CC1)C[C@@H](Nc1nccs1)CO2 96224779 QPIXQIUEVFMSJZ-QGZVFWFLSA-N 394.500 3.567 0 40 GHAB O=C(O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1NC1CCCCC1 217604481 OKYOPEAWPQBSCN-UHFFFAOYSA-N 388.489 3.608 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219363186 GKWVHMDPHSOSKQ-SFHVURJKSA-N 381.432 3.561 0 40 GHAB CCOc1cc2c(cc1[C@H]1[C@H](c3ccccn3)N=C3S[C@@H](C)CN31)OCO2 222567112 IMKDNGBJKYEXHD-NXXSPTCGSA-N 383.473 3.798 0 40 GHAB CCc1cccc(CC)c1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl 223330022 WAVUIUZBTYDPBX-UHFFFAOYSA-N 380.853 3.700 0 40 GHAB CCSc1nnc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)s1 223627325 LTRLJPOQXMKBLS-CYBMUJFWSA-N 380.514 3.640 0 40 GHAB CCOc1ccc(S(=O)(=O)N(C)c2cc(OC)c(Cl)cc2OC)cc1 224608189 OLUBBIUOQAAZAD-UHFFFAOYSA-N 385.869 3.581 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC(C(C)C)C(C)C)cc1 224931969 ZKNLISLZTHGBMJ-UYRXBGFRSA-N 384.476 3.856 0 40 GHAB Cc1ccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 225528001 YMZDYURDSKMPTE-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@H]1CCCN1c1ccccn1 225630064 KTPFGFAAQKWQLZ-QGZVFWFLSA-N 377.410 3.818 0 40 GHAB O=C(CCC(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1)c1ccccc1 225728608 OWBIGNLZSUROSY-INIZCTEOSA-N 392.377 3.743 0 40 GHAB C[C@@H]1Cc2cc(Br)cc3c(=O)c(C(=O)NCC(C)(C)C)cn1c23 226094288 VJGPGLOSUOKFQF-SNVBAGLBSA-N 377.282 3.657 0 40 GHAB O=C(NCC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 255950376 OJCFMHFFCKBBSM-QHCPKHFHSA-N 398.506 3.983 0 40 GHAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)nc1 257275994 NRXRBKOYWHGAMW-IBGZPJMESA-N 383.473 3.879 0 40 GHAB Nc1nccc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257308302 TWFZIXZUHVLJQT-SFHVURJKSA-N 388.471 3.804 0 40 GHAB CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 408545241 JODFLDHLEHCFMZ-UHFFFAOYSA-N 380.897 3.979 0 40 GHAB O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 508285977 CVZXQUZWVXOKCH-GSPCLOLRSA-N 387.483 3.681 0 40 GHAB CC(C)n1ccc(CN2C[C@@H](C(=O)O)[C@H](c3ccc(Br)cc3)C2)n1 520241686 HDAQRANWUZBTJA-DLBZAZTESA-N 392.297 3.527 0 40 GHAB COc1ccc(Br)c([C@@H](CO)N(C)Cc2ncccc2Cl)c1 528517376 HYXOBCLUEMUQAK-MRXNPFEDSA-N 385.689 3.672 0 40 GHAB Cc1ccc(S(N)(=O)=O)c(-c2nc(C(C)(C)c3ccc(Cl)cc3)no2)c1 561393741 YCCSHKJKPMAKAS-UHFFFAOYSA-N 391.880 3.672 0 40 GHAB Cn1nccc1-c1cncc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 575615551 GHKQQGFYUJUARJ-UHFFFAOYSA-N 384.867 3.609 0 40 GHAB COc1ccc(NC(=O)N2CC(Cc3ccccc3Br)C2)c(C)n1 626438513 XHFUODOWYMQOMG-UHFFFAOYSA-N 390.281 3.868 0 40 GHAB CC(C)C[C@H](C(=O)O)N1CCC(C(=O)Nc2ccccc2Br)CC1 629484571 VEAJZTRCGBPSAW-MRXNPFEDSA-N 397.313 3.599 0 40 GHAB Cc1c(NC(=O)c2cnc(-c3cccnc3)s2)c(=O)n(C2CCCCC2)n1C 640534519 BRVZXGSZMWCDAH-UHFFFAOYSA-N 397.504 3.771 0 40 GHAB CCC(=O)N1CC[C@H]2CCC[C@@H](CNCc3ccccc31)N2Cc1ccncc1 643578044 MJPTWHCYGZZXOA-YADHBBJMSA-N 392.547 3.741 0 40 GHAB CCOc1ccccc1C(=O)N1CCCN(C(C)C)CCNCc2ccccc21 643588059 ALHXHWBXSLGUGR-UHFFFAOYSA-N 395.547 3.936 0 40 GHAB COc1ccc(CCNC(=O)N2CCC([C@@H]3CCCCO3)CC2)c(Cl)c1 660896851 VZHLTZUBHRMJEG-IBGZPJMESA-N 380.916 3.882 0 40 GHAB Cc1ccc(NC(=O)c2cncc3nc(C(F)(F)F)n(C)c23)c(CN(C)C)c1 668752175 XKQKFLSEFBAFOK-UHFFFAOYSA-N 391.397 3.609 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3cccc(F)c3F)C2)CN1c1ccc(F)cc1 1615131213 SGWJHFHXQFODFM-NRFANRHFSA-N 390.405 3.502 0 40 GHAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909360 WYSNCDKHAKKQCL-NRFANRHFSA-N 390.455 3.682 0 40 GHAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)c3ccc(Cl)cn3)C2)N1C 2037946850 DWJKVKLVFYAUQT-MOPGFXCFSA-N 398.938 3.964 0 40 GHAB O=C(c1cscn1)N1CCCC2(CCN(Cc3ccc(F)c(F)c3)CC2)C1 2055784398 UXFLTYMGZVEBEW-UHFFFAOYSA-N 391.487 3.940 0 40 GHAB COC(=O)c1sc2ncn(Cc3c(Cl)cccc3Cl)c(=O)c2c1C 791167 QUJQXVHDKXTIBG-UHFFFAOYSA-N 383.256 3.908 0 40 GHAB O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 801891 RSAPKXNFVZUZLY-UHFFFAOYSA-N 381.856 3.763 0 40 GHAB COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2ccc(OC)cc2)c1C 871305 BBMHNEVHTGSDBF-UHFFFAOYSA-N 390.461 3.699 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=S)NC)cc2c1 920147 HDSJXTXBAHCBAU-UHFFFAOYSA-N 379.529 3.905 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)o2)cc1 928202 WONQTMMRHXOYTO-CYBMUJFWSA-N 381.457 3.815 0 40 GHAB CCOC(=O)[C@@H](C)Oc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 1237895 CSNDLSYSLWOUGK-CYBMUJFWSA-N 398.411 3.808 0 40 GHAB biogenic CSc1nc(C)cc(Oc2ccc(OCCOc3ccccc3C)nn2)n1 2422210 QRXFHRJBIGQVPR-UHFFFAOYSA-N 384.461 3.855 0 40 GHAB O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1cccnc1 4458610 HKCSASIFSBTXKQ-UHFFFAOYSA-N 375.453 3.645 0 40 GHAB Cc1c(CC(=O)N2CCOCC2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 4743921 QTEMURJSUIBCNS-UHFFFAOYSA-N 397.471 3.855 0 40 GHAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](CCC)[C@H]3C2=O)cc1 4936166 GQPKHYLBDZZBAC-NJYVYQBISA-N 394.471 3.954 0 40 GHAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H](C(C)C)[C@@H](CO)[C@H]3[C@H](CO)C[C@@H]12 5084833 LSEZDZDSBYJFOM-VOKZIJLBSA-N 380.569 3.891 0 40 GHAB COc1cccc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)c1 5269495 FAHPQHUFMFHKQN-UHFFFAOYSA-N 386.810 3.950 0 40 GHAB CCc1cc2c(=O)n([C@@H](C)C(=O)Nc3cc(Cl)ccc3OC)cnc2s1 5550658 RCSQHYKKVMMJCD-JTQLQIEISA-N 391.880 3.882 0 40 GHAB CCS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccc(OC)cc1 5718943 IDZXUOPDNMDJSX-UHFFFAOYSA-N 398.484 3.643 0 40 GHAB COc1ccc(C(=O)c2ccccc2)c(OCc2cc(=O)n3ccsc3n2)c1 5938664 UCTSDPGAQQZCBY-UHFFFAOYSA-N 392.436 3.575 0 40 GHAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CNCCCN1CCCCCC1 6051589 JZHJFEGGFAIVOW-OAQYLSRUSA-N 376.585 3.888 0 40 GHAB COc1cccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 6084113 VJOREOWQVRARKR-LLVKDONJSA-N 398.242 3.951 0 40 GHAB COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(C)c2)sc2c1CCCC2 6362195 YQVHUGBLOOPOOW-UHFFFAOYSA-N 395.502 3.531 0 40 GHAB C[C@@]1(c2ccccc2Br)NC(=O)N(Cc2cccc(F)c2)C1=O 6640361 LYIANTWDAWCOOK-KRWDZBQOSA-N 377.213 3.555 0 40 GHAB COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)C(C)C)cc1 6778550 HIWOUYGLUXUEQU-SFHVURJKSA-N 390.867 3.750 0 40 GHAB CCOc1ccccc1NC(=O)[C@H](Sc1nc(N)cc(N)n1)c1ccccc1 6831835 CBBXDBUXUVTUSV-GOSISDBHSA-N 395.488 3.512 0 40 GHAB CCOC(=O)c1sc(NC(=S)N2CCCCC2)c(C(=O)OCC)c1C 6955612 XXYQECLZHVOGPF-UHFFFAOYSA-N 384.523 3.593 0 40 GHAB COc1ccccc1N(CC(=O)c1ccc2c(c1)OCCO2)C1=NCCCC1 7276453 OIRDCICTPWHTGK-UHFFFAOYSA-N 380.444 3.738 0 40 GHAB CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 7323485 UXUYRMQWMTUXDI-UHFFFAOYSA-N 376.503 3.508 0 40 GHAB CCc1ccc(N2C(=O)/C(=C\c3ccc(O)c(OC)c3)C(C(=O)OC)=C2C)cc1 8085566 SZURBRUTPVENEU-PDGQHHTCSA-N 393.439 3.840 0 40 GHAB Cc1nnc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)o1 8089243 VNKIENTULOOPAV-UHFFFAOYSA-N 384.852 3.966 0 40 GHAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cn(C)c3ccccc23)cc1 8093703 DWXJXKQBIYYOGV-UHFFFAOYSA-N 399.516 3.851 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)COc1ccc2c(c1)CCC2)c1ccc(Cl)cc1 8118107 MARGXWRUZBADCS-NRFANRHFSA-N 395.890 3.847 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 8959351 MJRQSLJJKVIMJY-UHFFFAOYSA-N 388.851 3.982 0 40 GHAB CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1c(OCC)ccc2ccccc12 9296401 VIYPOKCPAZAHKP-GOSISDBHSA-N 393.443 3.528 0 40 GHAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 9377554 MKCYCVCSODEAOC-MRXNPFEDSA-N 387.892 3.625 0 40 GHAB Cc1nc(-c2ccc(CNC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)o2)cs1 10208343 DZDLXLMXFADJEG-CQSZACIVSA-N 385.420 3.593 0 40 GHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCC1=CCCCC1)S(C)(=O)=O 10361477 GPJYEVUBTSGKCK-HNNXBMFYSA-N 398.956 3.810 0 40 GHAB O=C(COC(=O)C1(Cc2nc3ccccc3s2)CCCCC1)Nc1ccon1 11122058 FIJKNOGSZCZUOC-UHFFFAOYSA-N 399.472 3.959 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C)c(-n2cccc2)c1 11329801 MYZNSFIKJZGYOU-UHFFFAOYSA-N 397.500 3.597 0 40 GHAB O=C(CCCSc1ccc(NC(=O)c2cccs2)nn1)Nc1cccnc1 11794079 ICPISZKUWIEWLC-UHFFFAOYSA-N 399.501 3.696 0 40 GHAB COc1cc(Nc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)nc(C)n1 12225210 VRERFEPWDPCNLO-UHFFFAOYSA-N 394.431 3.807 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)cc2n1 12258002 UUPAQOYORPEIRX-UONOGXRCSA-N 378.398 3.729 0 40 GHAB COc1ccc(-c2nc(CC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cs2)cc1 12296475 FGGYEEZWUMFIRW-FXAWDEMLSA-N 399.560 3.742 0 40 GHAB biogenic CCOc1ccc([C@H](C)NC(=O)CCNC(=O)c2cccc(C)c2)cc1OCC 12773953 ZKPDNSIENBKMRU-KRWDZBQOSA-N 398.503 3.790 0 40 GHAB CCOc1ccc(CN(CC)C(=O)c2cc(C)nc3c2c(C)nn3C)cc1OC 12822045 RQEGIOOUZVFCGP-UHFFFAOYSA-N 396.491 3.655 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)c2cncc(Br)c2)c(OC)c1 13009174 ODNOUNDOPQTPDV-INIZCTEOSA-N 391.265 3.839 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2SC)ccc1C 14129249 GCDATBGIFODYFA-UHFFFAOYSA-N 392.546 4.000 0 40 GHAB Cc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1Cl 15629963 VJEJMFFILHISEE-UHFFFAOYSA-N 383.835 3.536 0 40 GHAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCC3)cc(=O)c2c1 15860484 NMOBEQYRZCHUPA-SFHVURJKSA-N 394.471 3.878 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(Cl)cc1 16088982 HTXICHBTDXWPAZ-UHFFFAOYSA-N 390.686 3.590 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)c(F)c1 16111629 KPIAOYRHTWCQKK-UHFFFAOYSA-N 396.249 3.693 0 40 GHAB COc1cc(C(=O)N2Cc3cc4ccccc4nc3[C@@H]2C)cc(OC)c1OC 16951399 DLCWZADGTDSTGE-ZDUSSCGKSA-N 378.428 3.978 0 40 GHAB COc1cc(OC)cc(C(=O)/N=c2\sc(C)c(-c3ccc(F)cc3)n2C)c1 18219790 XCMIWBJVNMVFIK-XDOYNYLZSA-N 386.448 3.959 0 40 GHAB Cc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)C3CCC3)CCNC2=O)cc1 19212830 XNKXHHRETIIPME-OAQYLSRUSA-N 376.500 3.579 0 40 GHAB Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2cc(-c3cnn(C)c3C)on2)C1 19237366 GKGOEVOXJMSVJZ-QGZVFWFLSA-N 394.475 3.623 0 40 GHAB c1csc(CN2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 19343427 VHWRQBDGNAMCPS-INIZCTEOSA-N 394.548 3.908 0 40 GHAB CC(C)Oc1ccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 19450652 VDTIVCSCWFHBPE-QFIPXVFZSA-N 380.536 3.979 0 40 GHAB C[C@@H](CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C)n1cccn1 19455341 AQUOZXHNLLMIJK-JDLLUZBXSA-N 398.526 3.842 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)C[C@H](C)O3)cc1OC 19498082 YTJLLMCLLLIISK-HNAYVOBHSA-N 381.472 3.933 0 40 GHAB COc1ccc(CC(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)cc1 19554325 HQMGITJNVPXUAL-ZDXQCDESSA-N 396.506 3.904 0 40 GHAB CN1CCN(CCc2ccccc2)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 19589563 CWZMEXCIMWLABE-RUZDIDTESA-N 399.538 3.924 0 40 GHAB Cc1c(C(=O)NCC2(c3ccccc3Cl)CC2)cccc1N1CCOCC1 19716597 VMBPJCSJBSAYJF-UHFFFAOYSA-N 384.907 3.947 0 40 GHAB CCOc1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1OC 19831012 AMILTJLJPUOMFW-SFQUDFHCSA-N 376.478 3.574 0 40 GHAB COc1ccc(CCN2COc3ccc4c(C)cc(=O)oc4c3C2)cc1OC 20610142 YKVAWYLAZZITLW-UHFFFAOYSA-N 381.428 3.513 0 40 GHAB biogenic COc1ccc([C@@H](C)NC(=O)c2ccccc2OCc2noc(C)n2)cc1F 21465533 NXGHTBKBXIKSCH-GFCCVEGCSA-N 385.395 3.596 0 40 GHAB O=C(Cc1ccccc1F)OCc1cc(=O)oc2cc(Br)ccc12 22528294 VGGDZOAVHJMAKT-UHFFFAOYSA-N 391.192 3.981 0 40 GHAB C[C@H](Sc1ncc2ccccn12)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 24311777 BSUBGFVNGVYTEX-JTQLQIEISA-N 377.372 3.775 0 40 GHAB COc1ccc(-c2cc(COC(=O)c3cc(OC)c(OC)cc3OC)on2)cc1 24991366 XKBBDQHXEYJVDP-UHFFFAOYSA-N 399.399 3.733 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)nc1 25285677 KWPJGYVZHGDBPZ-QFIPXVFZSA-N 387.483 3.632 0 40 GHAB CC(=O)N1C(=N)S/C(=C/c2cc3cccc(C)c3nc2N2CCCCC2)C1=O 27573056 ZBZZCGLNIZNGID-YOTBKHOGSA-N 394.500 3.931 0 40 GHAB COc1cc(F)c(S(=O)(=O)Oc2ccc(C)c3c2C(=O)C[C@H]3C)cc1OC 27966744 BGYRSIBUJFOWKN-LLVKDONJSA-N 394.420 3.609 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2sc(C)nc2-c2ccc(F)cc2)C1 29570406 QLOUMODHNAMZJK-HNNXBMFYSA-N 390.480 3.602 0 40 GHAB C[C@H](CNC(=O)NCc1cccnc1OC1CCCC1)N1CCc2ccccc21 31125002 JCJYFITXPOIKLL-QGZVFWFLSA-N 394.519 3.653 0 40 GHAB COc1cccc(-n2ccnc2SCC(=O)c2ccc3c(c2)OCCO3)c1 32801645 OEQSKEGSCNPMSZ-UHFFFAOYSA-N 382.441 3.627 0 40 GHAB COC(=O)c1ccoc1COc1ccc(NC(=O)c2ccccc2OC)cc1 32899445 JKQMOSREGDCIMR-UHFFFAOYSA-N 381.384 3.906 0 40 GHAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 32915760 ZALURZJWHLJILZ-GFCCVEGCSA-N 392.912 3.816 0 40 GHAB COc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1Br 35287246 KMEYLMVZVCINOF-UHFFFAOYSA-N 377.282 3.906 0 40 GHAB COc1cc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc(OC)c1 35289358 ZWKGLVSISXTUMG-IBGZPJMESA-N 383.448 3.647 0 40 GHAB Cc1nc2cc(F)ccc2n1C1CCN(S(=O)(=O)c2ccccc2F)CC1 35314470 AYXQCOOGNKOXGF-UHFFFAOYSA-N 391.443 3.649 0 40 GHAB COc1ccccc1-c1cnn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(F)c1 35685034 DPLCRTUSIOYDSO-INIZCTEOSA-N 380.379 3.869 0 40 GHAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 36699932 CFRYKCIYIFSPJA-GPUVRGFBSA-N 382.548 3.783 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1ccc(Br)s1 37132508 WCIJPJZSBRLIRF-BONVTDFDSA-N 382.279 3.698 0 40 GHAB COc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 39772792 ATZZSCMTRIMZLL-UHFFFAOYSA-N 384.495 3.795 0 40 GHAB CN(Cc1ccccc1OC(F)(F)F)C(=O)NCCOc1ccccc1F 40068720 OSXGOBSHYZUBLP-UHFFFAOYSA-N 386.345 3.945 0 40 GHAB CCN1CCN(Cc2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)CC1 40089815 BSGUKGQNWXLHPW-UHFFFAOYSA-N 375.875 3.869 0 40 GHAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(Oc2ncccn2)c1 40145695 YDQMUVGDIKDIKR-QGZVFWFLSA-N 380.452 3.702 0 40 GHAB CCCC(=O)Nc1cccc(CNC(=O)c2ccc(N3CCCCC3=O)cc2)c1 44664178 QJYMNHBVXKEBGM-UHFFFAOYSA-N 393.487 3.872 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccnc1Nc1cccc(F)c1 44852010 BUBZVIOADLEAJK-QGZVFWFLSA-N 393.418 3.876 0 40 GHAB CCN(CC)C(=O)C[C@H]([C@@H](CC(F)(F)F)C(=O)N(CC)CC)C(F)(F)F 45028184 ZISXYTBEXWOPPY-VXGBXAGGSA-N 392.384 3.860 0 40 GHAB Cc1cnc2c(S(=O)(=O)Nc3ccc(Cl)c(C(=O)O)c3)cccc2c1 47318180 QGNJNNNISCPLJS-UHFFFAOYSA-N 376.821 3.696 0 40 GHAB COc1ccc(-c2cc(=O)[nH]c(-c3ccccc3CN3CCSCC3)n2)cc1 48175371 GPMYATHUEDRDJM-UHFFFAOYSA-N 393.512 3.661 0 40 GHAB C[C@@H]1CN(Cc2ccccc2CNC(=O)CCCc2ccccc2)C[C@@H](C)O1 48358227 LSLWCZOSXVAVIC-WOJBJXKFSA-N 380.532 3.935 0 40 GHAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 57449754 SFOKJSRVQYGKMF-UHFFFAOYSA-N 385.895 3.612 0 40 GHAB Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1c(F)cccc1F 65223917 SHLHSMXOZUXHNM-UHFFFAOYSA-N 377.372 3.656 0 40 GHAB Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)on1 65549173 PPDHKVCEZLMCFC-UHFFFAOYSA-N 397.262 3.716 0 40 GHAB Cc1ccc(-n2cc(C(=O)NCc3ccc(Br)cc3)nn2)cc1C 67261897 CTJBXXFFHDWTBS-UHFFFAOYSA-N 385.265 3.577 0 40 GHAB CCCOc1ccc(CNC(=O)c2sccc2NC(=O)c2cnccn2)cc1 67335507 LXQXOHOCJZLMAK-UHFFFAOYSA-N 396.472 3.509 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)c1sccc1NC(=O)c1cnccn1 67335609 VAEYOQKNLMTYTL-AWEZNQCLSA-N 380.473 3.542 0 40 GHAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1C(F)(F)F 70762363 HBEKSZMTTKHRQW-OAHLLOKOSA-N 377.284 3.885 0 40 GHAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(I)cc3)n2c1 71459198 CPZAOVLROFHRMY-UHFFFAOYSA-N 391.212 3.808 0 40 GHAB COc1ccccc1-c1n[nH]c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)n1 72191690 YXILKZUOSFFCOF-NSHDSACASA-N 389.506 3.673 0 40 GHAB CC(C)c1nccn1-c1cncc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 72355333 KEBKICIFFTXZLM-SFHVURJKSA-N 375.476 3.806 0 40 GHAB C[C@H]1Cc2cc(CC(=O)N3CCc4onc(-c5cccc(F)c5)c4C3)ccc2O1 72390389 IRMCYAPYIMYZSA-AWEZNQCLSA-N 392.430 3.932 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1(c2ccccc2)CCOCC1 77200790 QEHOGEOZTPKFBM-UHFFFAOYSA-N 393.462 3.704 0 40 GHAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1(c2cccs2)CC1 77200796 OMXRMEYBOHUJNB-UHFFFAOYSA-N 375.437 3.918 0 40 GHAB COc1ccc(C(=O)[C@H]2CCCN2Cc2nnc(-c3ccc(OC)cc3)o2)cc1 89455417 DPJBXJRRVAOCNX-LJQANCHMSA-N 393.443 3.601 0 40 GHAB Cc1nc(Cl)ccc1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 89536905 GMHUGGMWRHDWCL-CHWSQXEVSA-N 391.874 3.977 0 40 GHAB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2sc(C(=O)O)cc2c1 95349836 QGPVWEXAGSFXNK-UHFFFAOYSA-N 385.401 3.948 0 40 GHAB CN(C)c1nccc(CNC(=O)Nc2cccc(CSc3ccccn3)c2)n1 95463358 UAMMZGSWNQZUME-UHFFFAOYSA-N 394.504 3.552 0 40 GHAB COc1cccc([C@@H](CNC(=O)N[C@@H](C2CCCC2)C(F)(F)F)N(C)C)c1 95942323 PTZHQACVTIICRH-SJORKVTESA-N 387.446 3.718 0 40 GHAB CCC(=O)[C@@H]1CCCCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 95979894 OZHCOTKITZVXDR-IBGZPJMESA-N 388.471 3.908 0 40 GHAB COc1ccccc1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 96012660 CMYKWKKFRVXTNJ-OAHLLOKOSA-N 391.353 3.743 0 40 GHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CN2CCN(c3ccccc3Cl)CC2)C1 102366294 DGUWICWKXZXQGE-HTAPYJJXSA-N 389.971 3.889 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)Cc4ccccc4)cc3)C(=O)[C@H]2C1 102536721 ZVSKWBTWFREMIV-PMACEKPBSA-N 375.424 3.680 0 40 GHAB Clc1ccc(CN2CC[C@@]3(COCc4cnc(-c5cccnc5)nc43)C2)cc1 107248569 ANNRKDDJFRFZTF-QFIPXVFZSA-N 392.890 3.866 0 40 GHAB Cc1cccc(N(CCCC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 113955147 MPFTXTBSSCNFJY-MRXNPFEDSA-N 392.496 3.558 0 40 GHAB CCN(c1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1)S(=O)(=O)CC 113971848 ZFIVGRCISWMGEA-QGZVFWFLSA-N 388.533 3.970 0 40 GHAB CCC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1 217452549 GMEJPLLHCRATQB-CQSZACIVSA-N 382.526 3.986 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219363373 KXFYUDVVOUHQEW-IBGZPJMESA-N 395.459 3.870 0 40 GHAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 219684009 DRNGPQROUQIVJB-CYBMUJFWSA-N 378.266 3.932 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220496147 OZQZHXAVOROQJL-LJQANCHMSA-N 390.505 3.577 0 40 GHAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1C[C@@H]1CCCO1 223294746 YYYNEWBYJBSKPU-XZJROXQQSA-N 379.938 3.948 0 40 GHAB CCc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC)cc1 223452243 TVZKSOIVKSZCJE-QFIPXVFZSA-N 396.531 3.744 0 40 GHAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 223551572 HFYNHONOWWKFOG-IBGZPJMESA-N 396.531 3.614 0 40 GHAB COc1ccc2cc(S(=O)(=O)NCCCN3CCc4ccccc43)ccc2c1 224737940 LMEQVKQPLYMYCQ-UHFFFAOYSA-N 396.512 3.580 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC 225079029 IXRFSXGYGQLGEE-GFCCVEGCSA-N 396.896 3.678 0 40 GHAB O=C(CSCc1c(F)cccc1Cl)NC[C@@H]1COc2ccccc2O1 225238728 CFGSRVXWYSPYGF-GFCCVEGCSA-N 381.856 3.669 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 225449236 XQJNWUDMQUDTKX-RTBURBONSA-N 396.531 3.612 0 40 GHAB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1)Nc1ccccc1 225520313 UNAVLGONGBGBFF-VQTJNVASSA-N 392.484 3.676 0 40 GHAB COC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccco2)c1 225593791 SANNCXKSIKUROL-UHFFFAOYSA-N 378.519 3.985 0 40 GHAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)c1 225594900 HKIVAFYVDVYENU-GOSISDBHSA-N 384.495 3.927 0 40 GHAB CCCC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NCC(C)C 225710299 SDSLWUAEYPUWFH-AWEZNQCLSA-N 383.330 3.739 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCc2nc(-c3ccccc3)no2)c1C 225813696 HFHAKKSGLQBNHX-UHFFFAOYSA-N 396.472 3.708 0 40 GHAB CCOc1ccc(-c2noc(CNC(=S)Nc3ccc(F)c(F)c3)n2)cc1 225831699 OTWPHKWMPPICCG-UHFFFAOYSA-N 390.415 3.900 0 40 GHAB Cc1noc(C)c1-c1cc(C2CCN(C(=O)C3(C)CCN(C)CC3)CC2)ccn1 257242426 ICKWUXIQTSSDIS-UHFFFAOYSA-N 396.535 3.791 0 40 GHAB COc1cccc(Cc2cnc([C@]3(C)CCCN(C(=O)c4cncs4)C3)o2)c1 257313452 USMVNTJJCQTJNR-OAQYLSRUSA-N 397.500 3.924 0 40 GHAB CN(CC(=O)O)[C@H]1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 263499184 SGPISSASBHBIHB-FQEVSTJZSA-N 381.476 3.756 0 40 GHAB CN1CCN(Cc2ccccc2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 306125548 CTSRRCHJYYKUPC-OAQYLSRUSA-N 389.528 3.947 0 40 GHAB CN1CCN(Cc2cccs2)C[C@@H]1c1cn2c(-c3ccncc3)cccc2n1 306127781 GHLKVRSRGMBQGU-OAQYLSRUSA-N 389.528 3.947 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3ccccc3F)C[C@H]2N1Cc1cccs1 306144001 YTBFFWHZPUMJMY-VQTJNVASSA-N 381.476 3.770 0 40 GHAB COCCNC(=S)c1cc(Br)ccc1OCc1ccccc1 408573312 JTVRQDFGEIKMDQ-UHFFFAOYSA-N 380.307 3.940 0 40 GHAB O=C(NCc1ccccn1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408970914 ARALNFFPLAGGGN-UHFFFAOYSA-N 392.286 3.557 0 40 GHAB O=C(O)C[C@@H]1CCN(Cc2cccc(F)c2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 514288633 JKRGCMVFVLYIMA-HOTGVXAUSA-N 399.441 3.997 0 40 GHAB biogenic,in-vitro C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)c1cn2c(n1)COCC2 606445004 FBDJSBPRIOIAHZ-SFHVURJKSA-N 375.472 3.687 0 40 GHAB NC(=O)C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccc(Cl)cc1 1587425416 HWDMUBPEOXJRMY-OAHLLOKOSA-N 376.243 3.821 0 40 GHAB CCOc1ccccc1N(CC(=O)Nc1ccc2ccccc2c1)S(C)(=O)=O 817041 JIQRPLQSBIJSCA-UHFFFAOYSA-N 398.484 3.643 0 40 GHAB O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2ccc(F)cc2F)c1 78241800 XZETZDNOEMFKGC-UHFFFAOYSA-N 382.171 3.771 0 40 GHAB Cn1c(SCC(=O)c2ccccc2OC(F)F)nc2ccccc2c1=O 2546761 KEDPVLUQHPKSOK-UHFFFAOYSA-N 376.384 3.510 0 40 GHAB CCC(=O)N(CCc1ccc(OC)c(OC)c1)CC(=O)c1c[nH]c2ccccc12 3062720 JRCNRZQSTUKOCD-UHFFFAOYSA-N 394.471 3.849 0 40 GHAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C 3450549 WTFLXIUQZBCXDG-UHFFFAOYSA-N 376.840 3.724 0 40 GHAB C=CCOc1ccc(Br)cc1/C=C(\Sc1nnc(C)o1)C(=O)O 7603819 VOYPDLLAZVWIHM-JYRVWZFOSA-N 397.250 3.923 0 40 GHAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O 7979517 RPJCBJZZGISYMX-MRXNPFEDSA-N 383.256 3.705 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 8261929 RFTQCGWWXIRNLM-GOSISDBHSA-N 394.471 3.807 0 40 GHAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc21 8587156 RDPWQTVUSPKVRP-UHFFFAOYSA-N 378.881 3.613 0 40 GHAB CC(=O)Nc1ccc(OC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)cc1 27148276 RRLBOQAVRSFWLZ-UHFFFAOYSA-N 399.406 3.563 0 40 GHAB COc1cccc([C@@H](CNC(=O)[C@H]2Cc3ccccc3S2)N2CCCC2)c1 27343024 UEWPNXHDGRXGBO-TZIWHRDSSA-N 382.529 3.665 0 40 GHAB CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1 58085379 ULABZVCITLWEPW-UHFFFAOYSA-N 396.468 3.664 0 40 GHAB O=C(NCc1ccccc1)C(=Cc1ccc(F)cc1)C(=O)NCc1ccccc1 3222301 DIFVPBAXQPHSAY-UHFFFAOYSA-N 388.442 3.842 0 40 GHAB CCN(C(=O)COC(=O)Cc1ccccc1OC)c1cccc2ccccc12 3280340 SIVZAKGHDJNQPP-UHFFFAOYSA-N 377.440 3.987 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nnc(NCc2ccc(F)cc2)s1 10344744 DQYWHPPOEDNUTQ-LBPRGKRZSA-N 380.514 3.782 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 12605418 HEWGAODMODMIBF-HNNXBMFYSA-N 388.489 3.511 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 113941662 PWQPFFXINGCXLH-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB CCN(CC)CCCN/C=C1\C(=O)N(c2cccc(C)c2)C(=O)c2ccccc21 2324195 NPYYCRDGCSQZBI-XLNRJJMWSA-N 391.515 3.844 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 12787724 JMDQCQYMOJSADX-HXUWFJFHSA-N 392.478 3.633 0 40 GHAB O=C1O[C@@H](C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)Cc2ccccc21 28786178 IBDBMCPGAWMTLA-LJQANCHMSA-N 381.815 3.998 0 40 GHAB CCCn1nc(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)ccc1=O 12757053 VJFIZKJVJUNTDK-NEDNOIINSA-N 399.494 3.680 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CCc1ncc(-c2ccccc2)o1 11239323 PFUHWZRWFWHEIC-UHFFFAOYSA-N 397.862 3.991 0 40 GHAB O=C(NCc1ccccc1)NC1(C(=O)OCc2nc3ccccc3o2)CCCC1 11303594 XVHAGXIPCCDVFZ-UHFFFAOYSA-N 393.443 3.683 0 40 GHAB O=c1cc(CSc2nnc(Nc3ccccc3F)s2)nc2sccn12 3303987 DEHZTXOGDKRWBY-UHFFFAOYSA-N 391.478 3.783 0 40 GHAB CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 113883466 JZLSKUICMHZHMG-UHFFFAOYSA-N 388.272 3.752 0 40 GHAB CCCCCC(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(OC)c(OC)c1)CC2=O 2739360 JBQRVJADBGSTLJ-OAHLLOKOSA-N 397.475 3.925 0 40 GHAB biogenic C[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)c1cccc(F)c1 48381050 QSTHOAZJFDCBGD-SNVBAGLBSA-N 399.285 3.599 0 40 GHAB Clc1ccc(OCn2nccc2-c2nc3c4ccccc4ncn3n2)cc1 2731640 BDWMQUFVRSMRIF-UHFFFAOYSA-N 376.807 3.831 0 40 GHAB O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCN(c2ccc(F)cc2)CC1 59271577 BIZDWKPITPWSAX-UHFFFAOYSA-N 384.842 3.627 0 40 GHAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccc(Cl)c1 10119835 GNSFSYPHRXIUQU-UHFFFAOYSA-N 385.836 3.767 0 40 GHAB CC(C)Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 3432840 HCQQCDBRYGOITO-INIZCTEOSA-N 388.533 3.626 0 40 GHAB Cc1ccc2c(CN3C(=O)N[C@](C)(c4ccc(Cl)cc4)C3=O)cc(=O)oc2c1 3516560 GAIBSJRLTOLFAG-OAQYLSRUSA-N 396.830 3.722 0 40 GHAB COc1ccc(NC(=O)CSCC(=O)Nc2cccc3ncccc23)cc1 12901464 JOHIGLYNDIRPMF-UHFFFAOYSA-N 381.457 3.554 0 40 GHAB CCS(=O)(=O)N1c2ccc(C(=O)NC3CCCCCCC3)cc2C[C@H]1C 20449276 HZHQQUGVHRJSDN-OAHLLOKOSA-N 378.538 3.630 0 40 GHAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2cccc(Br)c2)C1=O 12999435 FQWBLNBMDVEVKO-GFCCVEGCSA-N 389.249 3.592 0 40 GHAB Cc1c(C(=O)N(C)Cc2ccsc2)sc2nc3n(c(=O)c12)CCCCC3 12935717 HHYCYMATJGVXRX-UHFFFAOYSA-N 387.530 3.827 0 40 GHAB O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccc(Cl)s1 62165928 XALWLWXCCUZOIF-JTQLQIEISA-N 388.836 3.557 0 40 GHAB CCN1CCN(c2ccc(NC(=O)COc3cccc(C)c3)cc2Cl)CC1 6241886 BFQKSKPPCGINBV-UHFFFAOYSA-N 387.911 3.808 0 40 GHAB Cc1ccsc1CN(C)CCS(=O)(=O)c1ccc(Br)cc1 14093120 YXFVPZNIQINGSA-UHFFFAOYSA-N 388.352 3.725 0 40 GHAB CCCc1nc2c3ccccc3n(CC(=O)c3ccc(Cl)cc3)c(=O)n2n1 65535043 LDHRZUQKFIWESH-UHFFFAOYSA-N 380.835 3.533 0 40 GHAB C[C@@H]1CN(CC(=O)NC2CCC(C(F)(F)F)CC2)C[C@H](c2ccccc2)O1 65515141 UBVITWSMCADBEF-AGERRDQYSA-N 384.442 3.686 0 40 GHAB COc1ccc(NC(=S)NC(=O)CCC(C)C)cc1-c1ccc(CO)o1 20151359 XUGSJWSKVXZTBU-UHFFFAOYSA-N 376.478 3.697 0 40 GHAB CC(=O)Nc1ccc(N2C(=O)C/C(=C\C3=Cc4ccccc4O[C@@H]3C)C2=O)cc1 9486107 QKWKKWZZVMTHFX-CRRKTRLDSA-N 388.423 3.699 0 40 GHAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(Cc2ccccn2)CC1 21759948 HZWARASCTKBMBK-UHFFFAOYSA-N 399.560 3.636 0 40 GHAB O=C(NCc1cn2cc(Br)ccc2n1)C1(c2ccc(F)cc2)CC1 65625155 HCHAKKBHUOHPSR-UHFFFAOYSA-N 388.240 3.584 0 40 GHAB CS(=O)(=O)Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 5462182 VMRLRWZZKQHHLC-UHFFFAOYSA-N 379.481 3.751 0 40 GHAB COc1ccccc1Nc1cnn(-c2nc3ccccc3n2C)c(=O)c1Cl 5451436 MPDXBEDZKOWGEF-UHFFFAOYSA-N 381.823 3.525 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)N2N=C(C(C)C)C[C@]2(O)C(F)(F)F)c1 409053730 HIWWBFKBIOBVGI-SFHVURJKSA-N 386.414 3.992 0 40 GHAB Cc1cccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1 4700514 ZCLBUEJCUKOVGP-UHFFFAOYSA-N 391.559 3.551 0 40 GHAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1nc2ccccc2n1C(F)F 14901658 RMKSMXULMLKEPH-WJDWOHSUSA-N 385.370 3.652 0 40 GHAB CCOC(=O)Cc1csc(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)n1 6851626 FJCAOZPNTIIIJV-GFCCVEGCSA-N 392.502 3.571 0 40 GHAB CCc1cccc(C)c1NC(=O)CSCCN1C(=O)c2ccccc2C1=O 6945507 BKMDARAEGLEGCA-UHFFFAOYSA-N 382.485 3.525 0 40 GHAB CSc1nc(C)c(CCC(=O)Nc2cccc(N3CCCC3=O)c2)c(C)n1 6988641 GBXPMNODNYMHQI-UHFFFAOYSA-N 384.505 3.513 0 40 GHAB CCOC(=O)c1c(NC(=S)NC[C@H]2CCCO2)sc2c1CCCCC2 6955811 PAQBEQRMBAXKOS-GFCCVEGCSA-N 382.551 3.659 0 40 GHAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1 4996087 ISAGNLQESFXLNJ-UHFFFAOYSA-N 388.272 3.601 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)o1)NCCCSc1ccccc1 7327380 AIEFRVIRSANMCX-UHFFFAOYSA-N 386.502 3.522 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@H](C)C(=O)Nc1ccc(C)cc1 7315597 UAHYGZXUFYALTJ-IIBYNOLFSA-N 392.455 3.829 0 40 GHAB Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccco3)N3CCCC3)oc2c1C 15859908 BVMYKYAQOOUFDS-QGZVFWFLSA-N 380.444 3.570 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cn(C)c4ccccc34)c2C)no1 7703050 KLWFQLMUUXMRKK-UHFFFAOYSA-N 391.427 3.922 0 40 GHAB CN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 7915785 VTHSVCNOYXVXAZ-UHFFFAOYSA-N 392.684 3.742 0 40 GHAB CCOC(=O)c1c(NC(=O)CNc2cccc(F)c2)sc(C(C)=O)c1C 7971961 PFMOVPFYASCGFO-UHFFFAOYSA-N 378.425 3.626 0 40 GHAB O=C(NCCCn1cnc2ccccc21)c1ccc(F)cc1Br 8136622 YHTUWSPLDCQAGE-UHFFFAOYSA-N 376.229 3.758 0 40 GHAB O=C(NCCOc1ccc(Cl)cc1)c1cc(=O)c2cc(Cl)ccc2o1 8163387 HUHGCGIJSKJQQG-UHFFFAOYSA-N 378.211 3.909 0 40 GHAB Cc1cccc(C(=O)N2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)c1 306136471 PUJKPNIPKLWSFC-JOCHJYFZSA-N 398.466 3.918 0 40 GHAB COc1ccc([C@@H](CNC(=O)COc2c(C)cccc2C)N2CCCC2)cc1 17911366 SIALBUJXRAVMSK-OAQYLSRUSA-N 382.504 3.644 0 40 GHAB O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cccc(-n2cnnn2)c1 9734628 CBKLVEBHNLSTDF-UHFFFAOYSA-N 394.822 3.542 0 40 GHAB C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1cccc2nsnc12 19105593 SNHKBGVAOADACM-JTQLQIEISA-N 390.515 3.683 0 40 GHAB COc1cc(Cl)c(C)cc1NCC(=O)Nc1ccc(N2CCOCC2)cc1 21890531 PFRGPASOWWBYLK-UHFFFAOYSA-N 389.883 3.544 0 40 GHAB C[C@](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)(C(=O)O)C1CC1 95989579 PUTQPRTUSBIWBA-MRXNPFEDSA-N 384.379 3.812 0 40 GHAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 89775754 GNEJZJWDCDHWDV-LJQANCHMSA-N 396.516 3.551 0 40 GHAB COC(=O)Cc1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 89894007 GRYPYZOXCXRNAZ-UHFFFAOYSA-N 392.459 3.857 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C)c(C)c1C 39476576 OZEJZDCTCHNYBZ-UHFFFAOYSA-N 393.439 3.613 0 40 GHAB CC1(C)Cc2c(c(-c3ccco3)nc3oc(C(=O)N4CCCC4)c(N)c23)CO1 32092705 FYVRZFUEFBCOPR-UHFFFAOYSA-N 381.432 3.757 0 40 GHAB CCCOc1ccc(-c2nc(NC(=O)COc3ccccc3OC)no2)cc1 32624171 QQSZTWHOIJRKEQ-UHFFFAOYSA-N 383.404 3.552 0 40 GHAB CCn1ccc(C(=O)N2CCC(c3ccc(Nc4ccc(F)cn4)cn3)CC2)n1 72374287 ZHLRERIZXNKJGZ-UHFFFAOYSA-N 394.454 3.596 0 40 GHAB CCc1cccc(NC(=O)Cn2c(=O)nc(N3CCCCC3)c3ccccc32)c1 33287339 AKPDSLLWGHBEOA-UHFFFAOYSA-N 390.487 3.588 0 40 GHAB CC(C)[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NC[C@@H]1CCCO1 43052065 XNGPUYNTHNTSRV-DOTOQJQBSA-N 378.469 3.893 0 40 GHAB CNc1nc([C@@H]2CCCCN2C(=O)CCC2CCCC2)nc2c1CN(C)CC2 72372192 RHJCAXOEBPXZHD-IBGZPJMESA-N 385.556 3.530 0 40 GHAB O=C(Nc1cccnc1)c1ccc2c(c1)C(=O)N(CCCc1ccccc1)C2=O 32104063 SJXAOFXZWFXTNZ-UHFFFAOYSA-N 385.423 3.563 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3cccc(N4CCCC4=O)c3)s2)cc1 136394727 JKOBCTZOWKCKJC-UHFFFAOYSA-N 394.456 3.593 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)cc3)n2)cc1 225312333 JTTXINRYCJHZTC-UHFFFAOYSA-N 385.851 3.990 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c(C)c1 44912191 WQXCGXSNODLUJW-UHFFFAOYSA-N 377.444 3.977 0 40 GHAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(NC(=O)c2ccco2)cc1 85877102 CNOPAFXQIHCVLY-PKOBYXMFSA-N 381.476 3.526 0 40 GHAB biogenic COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)c(OC)c1 224813044 NQODTWOQCYBMMM-PMACEKPBSA-N 394.500 3.614 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCCC2)cc1 225639527 NDKCXGCRLPAEER-RGEXLXHISA-N 384.501 3.977 0 40 GHAB Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 44847626 GHCARRJDIGTPKQ-GJZGRUSLSA-N 394.924 3.680 0 40 GHAB Cc1ccc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 224509197 JFAOFFZXOOGRCG-HXUWFJFHSA-N 380.532 3.770 0 40 GHAB CC(C)C[C@@H](C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1)n1cccc1 575443052 FDKNFZJOZKXCFJ-IBGZPJMESA-N 389.521 3.644 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCc2nc(-c3ccccc3)no2)c(C)c1 225813739 ZYEOBGYUGBMUQM-UHFFFAOYSA-N 396.472 3.708 0 40 GHAB Cc1cc(C(=O)COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c(C)n1C(C)C 21511569 PTXWAAWPHBIPPR-UHFFFAOYSA-N 390.524 3.696 0 40 GHAB C[C@H]1CCc2sc3c(c2C1)C1=NCN(S)N1C(NCc1ccccc1)=N3 44960272 QFPOFIJJCWXRIJ-LBPRGKRZSA-N 383.546 3.745 0 40 GHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 223282869 PBVQOIQIKOCRSG-SFTDATJTSA-N 392.528 3.876 0 40 GHAB COc1ccc(OC)c(-c2cc(C(=O)NCC3(c4cccs4)CC3)n(C)n2)c1 77200795 NZOMURJQJRMGDM-UHFFFAOYSA-N 397.500 3.627 0 40 GHAB O=C(Cc1ccccc1)N1CCS/C1=C/c1nc(-c2ccccc2F)no1 225242913 LDCVEBTZGMWOJG-CPNJWEJPSA-N 381.432 3.992 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCCCCC2)cc(C(F)(F)F)n1 225893195 CUYYOGFHWKYCFY-UHFFFAOYSA-N 375.464 3.818 0 40 GHAB O=C(C[C@@H]1CC2(CCN(C(=O)CC3CC3)CC2)c2ccccc21)NC1CCC1 96242151 RHTUXAUYJZGVFN-GOSISDBHSA-N 380.532 3.893 0 40 GHAB Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CCN(C(=O)Cc2ccccc2)C1 96244659 JZBBEHLLBYBTIK-VWLOTQADSA-N 399.494 3.695 0 40 GHAB Cc1cc(N2CCC[C@H]3[C@H]2C(C)(C)[C@@H]3NC(=O)C(C)(F)F)nc(C(C)C)n1 585137736 RJVSSCDNWLERNJ-BMFZPTHFSA-N 380.483 3.673 0 40 GHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CC2)CC1 257317054 VIDZSLYJBKAKFV-UHFFFAOYSA-N 376.500 3.661 0 40 GHAB CCn1cc(CN2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 257267787 MISWIBBCZGDDSL-JOCHJYFZSA-N 380.467 3.601 0 40 GHAB C[C@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc(F)cc1F 608239846 VBMHBACNAHUPEQ-LLVKDONJSA-N 380.826 3.542 0 40 GHAB CCOc1ccc(C[C@@H](C)c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)cc1 669410722 ULHIRULORLHOIB-CQSZACIVSA-N 386.473 3.885 0 40 GHAB CC[C@@H](CNC(=O)c1nccnc1Sc1ccccc1)C(=O)OC(C)(C)C 1615610172 FDBPVYWAMKUMOU-AWEZNQCLSA-N 387.505 3.726 0 40 GHAB O=C(Cc1cccs1)Nc1ccccc1Cc1nc(-c2cccnc2)no1 96102962 QEDFUGRLYGBAFN-UHFFFAOYSA-N 376.441 3.965 0 40 GHAB CO[C@H]1CCN(c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)C1 96122370 LFBOGVFFLKLYNI-IBGZPJMESA-N 382.485 3.866 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1 575403948 JDLJBZAPZYELON-HXUWFJFHSA-N 386.455 3.606 0 40 GHAB CCc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)s1 1776009231 BGQATADDZLCGJT-STQMWFEESA-N 385.942 3.717 0 40 GHAB COC(=O)c1ccc(NC[C@@H](c2ccccc2)N2CCc3sccc3C2)nn1 58015453 JRGYSOJZBWOGFL-SFHVURJKSA-N 394.500 3.536 0 40 GHAB CCCc1nnc2c3ccccc3c(-c3ccc(C)c(NS(C)(=O)=O)c3)nn12 5206491 LYOPZTAGUBIVEP-UHFFFAOYSA-N 395.488 3.577 0 40 GHAB Cc1ccc([C@H](C)C(=O)N2CCC(n3nc(-c4ccco4)ccc3=O)CC2)cc1 12129302 KNHACGQUCIDJNN-KRWDZBQOSA-N 391.471 3.779 0 40 GHAB Cc1nn(C)c(C)c1/C=C(/[C@H](O)c1ccc(Cl)cc1Cl)n1cncn1 12320958 FBGSUFAVICBVTR-BOVGMKJQSA-N 378.263 3.667 0 40 GHAB CCCCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 12548527 FNFBMDAQJCCDDG-UHFFFAOYSA-N 390.505 3.758 0 40 GHAB COc1ccc(/C=c2\sc3nnc(-c4ccc(C(C)(C)C)cc4)n3c2=O)cc1 13547442 DHXPFHPYADURMB-AQTBWJFISA-N 391.496 3.672 0 40 GHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 15437515 QGTYQDLIQUJGFK-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB CN(C(=O)COc1ccc(N2CCCC2=O)cc1)[C@H]1CCCc2ccccc21 16961174 XSIMEEUMOOZQSH-NRFANRHFSA-N 378.472 3.728 0 40 GHAB Cc1cc2nccc([C@H]3CCCN3C(=O)c3cc(-c4ccc(F)cc4)no3)n2n1 19130757 PPFYEPIRAHQHRL-QGZVFWFLSA-N 391.406 3.809 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3cccc(Cn4cccn4)c3)nn2C)cc1 19716165 FNIKPPTUAAKPES-UHFFFAOYSA-N 387.443 3.593 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(O)c3)C2=O)c(C)c1 8369063 JIGBGCXDTLHRMO-LICLKQGHSA-N 382.441 3.684 0 40 GHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cc[nH]n3)cc2N1 12087576 LOKBHJVTIQTNNN-NWANDNLSSA-N 396.417 3.527 0 40 GHAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@H](NC(=O)c3scnc3C)CC2)cc1 19656909 LEPODZDUZBODEA-SFHVURJKSA-N 399.560 3.849 0 40 GHAB Cc1sc2ncn(C[C@@H](O)COc3ccc(C(C)(C)C)cc3)c(=O)c2c1C 14245092 GTEXNKGBTOJAIO-MRXNPFEDSA-N 386.517 3.812 0 40 GHAB CN(CCOc1ccccc1Cl)C(=O)C[C@H]1Sc2ccccc2NC1=O 16175749 GUOOKJXJHWWEIB-QGZVFWFLSA-N 390.892 3.680 0 40 GHAB O=C(NCCn1nc(-c2cnccn2)cc1C1CC1)Nc1ccccc1Cl 238907581 RYNVRRFTWLUFSE-UHFFFAOYSA-N 382.855 3.693 0 40 GHAB Cc1ccsc1CN1CC[C@]2(CC[C@H](C(=O)Nc3cccnc3)O2)[C@@H](C)C1 1204020419 DXJMKKJEDWIYLB-YRISNDGFSA-N 385.533 3.850 0 40 GHAB Cc1cccc(-c2nc3scc(CCNC(=O)c4ccccc4F)n3n2)c1 4374689 CNYOABSVANOXTL-UHFFFAOYSA-N 380.448 3.878 0 40 GHAB Cc1ccc(N2C[C@H](CNC(=O)c3ccccc3C(F)(F)F)OC2=O)cc1 9069080 DMSLDTSPRFLEOK-AWEZNQCLSA-N 378.350 3.769 0 40 GHAB O=C(Nc1ccc(F)cc1)Nc1nc(C(=O)NCCc2ccccc2)cs1 9320038 VSOALQUTJSOBRT-UHFFFAOYSA-N 384.436 3.899 0 40 GHAB O=C(CCc1csc(NC(=O)c2cccs2)n1)NCc1ccc(F)cc1 11834943 VCCATZYBPXSHMR-UHFFFAOYSA-N 389.477 3.845 0 40 GHAB CC1(C)CCc2cc(Cc3nn4c(-c5ccncc5)nnc4s3)ccc2O1 12391650 PCKKCOVPUKXBQB-UHFFFAOYSA-N 377.473 3.942 0 40 GHAB COc1ccc(-c2noc(-c3ccc(=O)n(Cc4cccc(OC)c4)c3)n2)cc1 49007383 VXWAVEOAMDKDFR-UHFFFAOYSA-N 389.411 3.631 0 40 GHAB O=C([C@@H]1CCCN(c2cnc3cc(Cl)ccc3n2)C1)N1CCC(F)(F)CC1 2298215317 WKGQMFJCBHYEQO-CYBMUJFWSA-N 394.853 3.757 0 40 GHAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc1 8843853 VNNUVYIZWQMKJK-IBGZPJMESA-N 381.501 3.744 0 40 GHAB CCc1ccc(N2C[C@H](c3noc(-c4cccc(N(C)C)c4)n3)CC2=O)cc1 44415863 KPTFHHQXFVBUNL-QGZVFWFLSA-N 376.460 3.886 0 40 GHAB CC[C@H]1CCCCN1C(=O)n1ncc(C(O)(c2ccccc2)c2ccccc2)n1 72138442 DGRUIUDIVFCWMX-FQEVSTJZSA-N 390.487 3.795 0 40 GHAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4cccs4)n3N)o2)cc1 15518691 OQPUZTJHQVWRIQ-LLVKDONJSA-N 384.490 3.932 0 40 GHAB O=C(O[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccccc1NCCO 10498019 AFVAORRTRIKCDH-OAQYLSRUSA-N 390.439 3.628 0 40 GHAB CC1CCN(Cc2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)CC1 40062340 YVGWRBYHHUBJAA-UHFFFAOYSA-N 376.497 3.536 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)c1 20060373 BAFNJTQXKBWUBV-ZWKOTPCHSA-N 379.489 3.601 0 40 GHAB CC1(C)Cc2c(sc3c2c(N)nc(=O)n3Cc2ccccc2Cl)CO1 40287033 WENLRRLOEFXTQR-UHFFFAOYSA-N 375.881 3.593 0 40 GHAB COC(=O)[C@]12CC[C@@](C)([C@@H](OC(=O)c3cc4ccccc4oc3=O)C1)C2(C)C 100753686 HRLPOZCJNLVAKW-SSKFGXFMSA-N 384.428 3.708 0 40 GHAB Cc1cc(Cl)ccc1N1C(=O)C[C@@H](NNc2nc3ccccc3s2)C1=O 100875955 PLAYBMWYNWAIPR-CYBMUJFWSA-N 386.864 3.507 0 40 GHAB CCCCOc1ccc(S(=O)(=O)NCCCn2ccnc2)c2ccccc12 31903890 LUZJMCONQGUHSM-UHFFFAOYSA-N 387.505 3.584 0 40 GHAB COC(=O)[C@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccc(C(C)C)cc12 32104911 SSAVOPVRBZRNFY-AWEZNQCLSA-N 377.444 3.712 0 40 GHAB C[C@@H]1CN(Cc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)C[C@@H](C)O1 21548635 XDUYYHVIOXXGBU-VXGBXAGGSA-N 389.908 3.914 0 40 GHAB O=C(COc1ccccc1)Nc1nnc(SCc2ccc(F)cc2)s1 33416356 DEBGDBUZEPLIFO-UHFFFAOYSA-N 375.450 3.987 0 40 GHAB Cc1nc(C2(NC(=O)COc3ccc(F)c(Cl)c3)CCCCCC2)no1 41840599 JWLSIVQRGGRRPK-UHFFFAOYSA-N 381.835 3.915 0 40 GHAB CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 863156 IFJUDLRTJCSTBF-LLVKDONJSA-N 398.715 3.709 0 40 GHAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(OC)cc1 903483 LSAMWQHABULTOU-UHFFFAOYSA-N 398.488 3.616 0 40 GHAB Cc1csc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)n1 1324682 NDCKKYRUWCLZAT-UHFFFAOYSA-N 393.534 3.657 0 40 GHAB FC(F)(F)c1ccc(Sc2ccc3nnc(C(F)(F)Cl)n3n2)nc1 1406661 UBYOHIRKWBAAOM-UHFFFAOYSA-N 381.717 3.977 0 40 GHAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)CN1C1CCCC1 2095576 WEZKQJWBJHEYJK-XUZZJYLKSA-N 399.494 3.795 0 40 GHAB biogenic CC(C)CCn1c(N)c(C(=O)NCCCOC(C)C)c2nc3ccccc3nc21 2234934 CVWGZFRPIFPGIN-UHFFFAOYSA-N 397.523 3.758 0 40 GHAB C[C@H]1CCc2c(sc3nc(SCC(=O)Nc4ccccn4)nc(N)c23)C1 2351992 YYZUIJITBAFWNP-JTQLQIEISA-N 385.518 3.524 0 40 GHAB CCCCOc1ccccc1/C=c1/sc2nc(-c3ccc(C)cc3)nn2c1=O 2369333 RBZSFURIJGOZEP-XMHGGMMESA-N 391.496 3.853 0 40 GHAB O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ncc(Cl)cc1Cl 3257249 MDMHVEDSKCRLNS-UHFFFAOYSA-N 399.205 3.672 0 40 GHAB CCOc1ccc(-n2c(SCC(=O)OC)nnc2-c2cccc(OC)c2)cc1 3402481 HLKNLNLWZINREC-UHFFFAOYSA-N 399.472 3.607 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(SCCOc3ccccc3F)nnc12 3451445 NXYFFVNIUICTNI-UHFFFAOYSA-N 398.463 3.764 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1 3601980 AAMDKDATUPKALO-UHFFFAOYSA-N 392.546 3.589 0 40 GHAB O=C(CSc1ccc2c(c1)OCCO2)Nc1cccc(Br)c1 5018994 KWHGHMIMPXDDFN-UHFFFAOYSA-N 380.263 3.951 0 40 GHAB C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)N1CCCC1 5079456 VUZIZFBZXXNXQU-AWEZNQCLSA-N 385.847 3.739 0 40 GHAB CC(C)Oc1ccccc1/C=C(/C(=O)N1CCOCC1)c1nc2ccccc2[nH]1 5262014 NAFCSKUSBJQUTA-OBGWFSINSA-N 391.471 3.750 0 40 GHAB COC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1 5270574 GIKUUZPWWAIJBX-UHFFFAOYSA-N 396.830 3.589 0 40 GHAB CCN(CC)C(=O)c1c(OC)cc(C)cc1[C@@H](O)c1cc(OC)cc(OC)c1 5807554 MUTBAUUHADTSNC-NRFANRHFSA-N 387.476 3.585 0 40 GHAB C[C@H](NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1)[C@H]1CCCO1 6521792 PPELJGSARQLMGI-IQJOONFLSA-N 379.810 3.677 0 40 GHAB CC(C)c1cc(NC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)on1 6649267 PYEOZBBMVVALRG-UHFFFAOYSA-N 381.432 3.954 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccccc1)S2 6811847 KZYPNKNBSNGJDH-ROUUACIJSA-N 379.489 3.547 0 40 GHAB O=C(NCc1cn2ccccc2n1)c1cccc(NC(=O)c2cccs2)c1 7138224 PMOUJGYJEXQUCN-UHFFFAOYSA-N 376.441 3.578 0 40 GHAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CCc2ccccc21 7161836 TYOFNLGSPSTHEM-LBPRGKRZSA-N 386.502 3.813 0 40 GHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(OC)c2)cc1 7360661 KKGKBCKMASMXDD-UHFFFAOYSA-N 381.425 3.592 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(c2nc3ccccc3c3nnc(C)n23)CC1 7504024 PBDGMZMVRASOPQ-UHFFFAOYSA-N 392.894 3.874 0 40 GHAB O=C(COc1ncnc2ccc(Br)cc12)N1CCCc2ccccc21 7779899 IQQUDCOGQVCYKX-UHFFFAOYSA-N 398.260 3.751 0 40 GHAB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCCc2ccccc21 8132130 SLBCBOXVMVIBMI-UHFFFAOYSA-N 381.435 3.979 0 40 GHAB O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(COc2ccccc2)o1 8146368 UIEFLIOPKTTWMT-UHFFFAOYSA-N 381.388 3.609 0 40 GHAB COc1cccc(N2C[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)c1 8247209 KZFYVLGNINQBRY-HXUWFJFHSA-N 392.499 3.529 0 40 GHAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc(F)c1 8287903 GAYXZPQNNDUZPK-UHFFFAOYSA-N 390.480 3.572 0 40 GHAB COc1cc(NC(=O)c2ccco2)c(C(=O)N(C)Cc2ccccc2)cc1OC 8325156 BVWWSAFLMSDVQY-UHFFFAOYSA-N 394.427 3.821 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1C 8514309 SBSMPZGKBNYUFW-LJQANCHMSA-N 387.501 3.991 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCCc1c[nH]c2ccccc12 8719336 JZOHGZSADWBBEB-UHFFFAOYSA-N 386.377 3.895 0 40 GHAB O=C(NCCn1nc(-c2cccs2)ccc1=O)c1ccc2ccccc2c1 8954863 OGBQRCVIJUPREH-UHFFFAOYSA-N 375.453 3.555 0 40 GHAB CCOc1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 9040200 YXBMDMHCUNIMSQ-AWEZNQCLSA-N 387.867 3.913 0 40 GHAB Cc1occc1-c1nnc(S[C@@H](C(=O)NCc2ccccc2)C(C)C)n1C 9048608 CQNWIDKQPNKKQP-QGZVFWFLSA-N 384.505 3.817 0 40 GHAB Cc1ccnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCCC3)cc2)c1 9087010 MSOJWOHDAWQKKW-UHFFFAOYSA-N 387.505 3.597 0 40 GHAB CC(C)Cn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccco1 9566765 ZVLJFCXAQHOXHT-GJZGRUSLSA-N 376.526 3.981 0 40 GHAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccccc1Br)c1cccs1 10139905 AZSDDDBHYGNQBJ-NHYWBVRUSA-N 395.322 3.955 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c(OC)c1 11740515 DWBFOVDPDDKBGH-YRNVUSSQSA-N 380.444 3.791 0 40 GHAB O=C(c1ccco1)N1CCC[C@@H](c2nc(O)c3c4c(sc3n2)CCCC4)C1 12144825 KABCECPYNKVQAV-GFCCVEGCSA-N 383.473 3.889 0 40 GHAB O=C(CCOc1ccccc1)N1CCC(c2cc3ncccc3c(O)n2)CC1 12232328 SGRCWRDYAWZCGC-UHFFFAOYSA-N 377.444 3.511 0 40 GHAB CCOc1cc(CN2CCC(O)(c3ccccc3OC)CC2)c(C)cc1OC 12344622 UNUARVGHFUMDHI-UHFFFAOYSA-N 385.504 3.895 0 40 GHAB COc1ccc(OC)c(COC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)c1 12420221 SXKBGHXPACOATP-QFIPXVFZSA-N 399.531 3.536 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)n1nc(-c2ccc(F)cc2)oc1=O 12812858 SNOFIESXTFKMHG-NSHDSACASA-N 375.787 3.804 0 40 GHAB O=C(NCc1ccccc1OC(F)F)c1nn(-c2ccccc2)c2c1CCC2 12819037 SPAPLTHOXQXECD-UHFFFAOYSA-N 383.398 3.892 0 40 GHAB C[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)c1cccc(Cl)c1 12943477 UKMWNSGBSWBPHP-MEDUHNTESA-N 389.860 3.958 0 40 GHAB COc1ccc(C(=O)CCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC 12977697 MJBMWFSVYFFGAV-UHFFFAOYSA-N 396.447 3.631 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C)c1 12980732 OARZIKMENVGYFT-IBGZPJMESA-N 379.504 3.901 0 40 GHAB COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@@H]23)cc1OC 13827619 PEUUVVGQIVMSAW-FHTPNYMGSA-N 386.444 3.796 0 40 GHAB biogenic,in-vitro Cc1ccc(N(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C(=O)c2ccco2)cc1Cl 17988434 ROJDJARCQWSJAS-HOTGVXAUSA-N 398.846 3.797 0 40 GHAB Cc1nccn1CCCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C 19288107 HVWAWUJXYGFXPB-CQOQZXRMSA-N 394.563 3.841 0 40 GHAB Cc1nc(NC(=O)CCC(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)sc1C 19560817 SSHAOBHVVKNXCC-ZDUSSCGKSA-N 387.505 3.681 0 40 GHAB CCc1noc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)cc2)n1 21792489 ZVJYIAWRNWDTCG-MRXNPFEDSA-N 390.443 3.599 0 40 GHAB C[C@@H](C(=O)NCc1ccccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 22787910 DEWSNZJEPXQEKX-VQFGERMISA-N 397.950 3.676 0 40 GHAB O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ccccc1O 24109354 MXOPJQKLKBWSOF-MRXNPFEDSA-N 382.363 3.781 0 40 GHAB COc1ccc(CNC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1OC 27969739 SNYADYMIPDROPD-UHFFFAOYSA-N 385.851 3.532 0 40 GHAB COc1ccc(Nc2nnc(SCc3cccs3)n(C)c2=O)cc1Cl 28536823 ITOJOUPSCOLVSQ-UHFFFAOYSA-N 394.909 3.935 0 40 GHAB O=C(CSCC(=O)Nc1ccccc1F)Nc1nc2ccc(F)cc2s1 28839856 VBYMALDULQIAAI-UHFFFAOYSA-N 393.440 3.885 0 40 GHAB Cc1nc(CN2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)cs1 28959343 JBMGXSXDEGHHNT-UHFFFAOYSA-N 394.544 3.770 0 40 GHAB CC[C@H]1CN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CCO1 29153817 CMYYTSCHIAAPTF-INIZCTEOSA-N 387.480 3.845 0 40 GHAB COc1cc(NC(=O)CN2CCCc3cc(C)cc(F)c32)cc(OC)c1OC 30153241 ZLPLQVWXSSFUGE-UHFFFAOYSA-N 388.439 3.551 0 40 GHAB O=C(c1ccc(Br)s1)N1CCC[C@H]1c1nnc2ccccn12 31501623 CPPWLUJERBPVPX-JTQLQIEISA-N 377.267 3.531 0 40 GHAB O=C1CCCN1c1ccc(Cl)c(NS(=O)(=O)/C=C/c2ccccc2)c1 32629655 UCNNRPVBRWOXAH-ZRDIBKRKSA-N 376.865 3.879 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(C)cc1 33898823 VWUOEVFLYZLZHR-LBPRGKRZSA-N 384.295 3.806 0 40 GHAB CN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccccc1)=N2 35372471 FMRJUZBEPDXNJS-UHFFFAOYSA-N 392.528 3.682 0 40 GHAB O=C(Cc1ccc(Cl)cc1)NCCCCN1CCO[C@H](c2ccccc2)C1 36700049 HORXMYQRZQVMGD-NRFANRHFSA-N 386.923 3.852 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)c1 40134352 GOQYGSKZBRWJPR-JOZWUWCOSA-N 385.460 3.920 0 40 GHAB O=C(c1ccc(-c2ccc(F)cc2)o1)N(CCN1CCOCC1)C1CCCC1 46289468 HZAKOJYEPOWQJV-UHFFFAOYSA-N 386.467 3.803 0 40 GHAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccnc1-n1cncn1 48333346 AAALQQFYBXITRD-UHFFFAOYSA-N 379.807 3.506 0 40 GHAB Cc1ccc(-n2c(SCc3nnc(C)o3)nnc2-c2ccccn2)c(C)c1 48374371 BXFWFZXAXBTGCU-UHFFFAOYSA-N 378.461 3.930 0 40 GHAB CCc1ccc(NC(=O)Cn2cnc(-c3noc(-c4ccc(F)cc4)n3)c2)cc1 49420721 SBOGKNBVJBCXEW-UHFFFAOYSA-N 391.406 3.940 0 40 GHAB CCSCCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 53159281 VTNBGHPJMQVDQA-UHFFFAOYSA-N 378.519 3.878 0 40 GHAB CCc1ccc2c(COC(=O)c3cc(C)nc4onc(C)c34)cc(=O)oc2c1 54331011 OGTAKZPDBBIOPG-UHFFFAOYSA-N 378.384 3.865 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3ccc4nnc(C)n4c3)sc2C)cc1 58246099 YGUNAPDNDVAFMN-UHFFFAOYSA-N 379.445 3.731 0 40 GHAB O=C(CN1CCSC1=O)Nc1ccc(Sc2ccccn2)c(Cl)c1 58246281 XALTXXGCLBKMJV-UHFFFAOYSA-N 379.894 3.994 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c3ccccc3c2Cl)c1 58293323 DEWRTAQRDGWXMQ-UHFFFAOYSA-N 378.837 3.573 0 40 GHAB O=C(NCCc1n[nH]c(=S)n1C1CC1)c1cc2c(s1)CCCCCC2 67079582 XBZIRIWJZLTRDL-UHFFFAOYSA-N 376.551 3.969 0 40 GHAB CCCOc1ccc(CNC(=O)c2n[nH]nc2Nc2ccc(CC)cc2)cc1 67283502 UERBYMAFCIASFW-UHFFFAOYSA-N 379.464 3.830 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccnc(C)n1)CC2 69488355 FJHMUDYVJSVLKY-HXUWFJFHSA-N 395.484 3.652 0 40 GHAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)NCCCOC)C12CCCCC2 70666664 LRCZQWFTWFLRIR-XLIONFOSSA-N 386.536 3.880 0 40 GHAB biogenic CCc1nc(COC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)cs1 72270404 KWDHLEGVRLETBZ-AWEZNQCLSA-N 396.921 3.617 0 40 GHAB Cc1nc(-c2nn3c(-c4ccc(Br)cc4F)nnc3s2)co1 72401077 AQFMPUQSPIBGHM-UHFFFAOYSA-N 380.202 3.718 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)NCCc1nc2c(s1)CCCC2 89548092 DAMIHMGJGKOQFG-UHFFFAOYSA-N 381.501 3.887 0 40 GHAB Clc1cc(I)c(I)c(Cl)n1 95101167 XWJIMOZCFFVBNW-UHFFFAOYSA-N 399.784 3.598 0 40 GHAB Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]c2c1 95400121 MCJCXVQTKPDPFJ-YJBOKZPZSA-N 398.507 3.792 0 40 GHAB COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)/C=C/c1cccc(OC)c1OC(F)F 95444468 DGMWXQHMYCHLSM-MYRNAVRBSA-N 397.418 3.548 0 40 GHAB Cn1nc(-c2ccccc2)nc1CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 95453066 DBDNLMVLTJSMMG-ZWKOTPCHSA-N 380.879 3.598 0 40 GHAB O=C(C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)Oc2ccccc21)NC1CC1 96053436 SVNRACWJOKRQAZ-LJQANCHMSA-N 391.515 3.651 0 40 GHAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)Nc1cccc(C(F)(F)F)c1 96120740 QZPWHEFKAKIWRW-UHFFFAOYSA-N 395.385 3.593 0 40 GHAB CC(C)n1cnc(-c2cc(C(=O)N3CCC(N(C)C)CC3)c3ccccn23)c1 96154896 MDGCWYBTBDUQGA-UHFFFAOYSA-N 379.508 3.550 0 40 GHAB C[C@H](O)CNCCNCc1c(OCc2ccccc2F)ccc2ccccc12 96318711 BYZCABOZJYWBFR-KRWDZBQOSA-N 382.479 3.618 0 40 GHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C(\C)CCc1ccccc1 97288918 FPXSFYYOZFKCIC-BMRADRMJSA-N 375.472 3.851 0 40 GHAB O=C1C[C@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1ccccc1Cl 101649472 VLZHTPXMRTZMTC-IBGZPJMESA-N 379.847 3.512 0 40 GHAB biogenic Cc1cc(C)cc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 107634060 DJQCJZVUXVDROW-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB CC[C@H](NC(=O)CCSCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 219000143 VWGFSWUSAZFTSH-IBGZPJMESA-N 391.558 3.981 0 40 GHAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCS[C@@H](c2ccco2)CC1 219446093 OANJVAXEBLHNKA-OAHLLOKOSA-N 375.874 3.941 0 40 GHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222863650 RUXAIBWBRWSBHN-INIZCTEOSA-N 386.467 3.537 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(F)cc1 223841440 XGPCSRAFOZDMIP-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB CCN1CCN(C(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)CC1 224282541 WAXOOGGUFWBHOV-UHFFFAOYSA-N 396.531 3.977 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(C)cc2)cc1 224452302 HHHPDANLJSYVMI-QGZVFWFLSA-N 388.533 3.734 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 224614797 FIAPEZAUKYZBGM-JOCHJYFZSA-N 382.504 3.765 0 40 GHAB COc1ccc(CCNC(=S)Nc2ccc(Oc3ccccc3)nn2)cc1 225188050 UHTRECTZLAOKTP-UHFFFAOYSA-N 380.473 3.807 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 225449442 UJHCXTVNQWKPLJ-VQTJNVASSA-N 380.532 3.912 0 40 GHAB COc1cccc(CN(C(=O)CCc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)c1 225659612 XRFXXHQXWQLTOM-IBGZPJMESA-N 396.531 3.878 0 40 GHAB Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)cc1 225690122 VRTKMCRWPYPNPM-GOSISDBHSA-N 384.495 3.866 0 40 GHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 225733919 DQNXAEMEPNMWMH-QFIPXVFZSA-N 390.524 3.858 0 40 GHAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)N(C)CCO)ccc3O2)cc1 257253874 KAPOTSLZFPDZME-XMMPIXPASA-N 381.516 3.740 0 40 GHAB Cc1ccc(F)cc1NC(=O)CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257259532 KYTXIHHIILNWIZ-GMAHTHKFSA-N 398.478 3.523 0 40 GHAB CC(=O)N1[C@@H]2CN(C(=O)c3nccc4ccccc34)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257340044 ZEGMUMSJUHZWDS-JBYGMCGMSA-N 377.488 3.629 0 40 GHAB COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4cccs4)C2)OC3)c1 306123969 BBTQWNPHZJZRMI-OAQYLSRUSA-N 381.501 3.795 0 40 GHAB COc1cccc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2cccs2)c1 306139702 TXYROJXOXSRKAE-SFTDATJTSA-N 393.512 3.640 0 40 GHAB CCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccccc1F 325019698 FJGUWRKCDOJFOY-UHFFFAOYSA-N 396.212 3.817 0 40 GHAB CCn1c(Sc2oc(C=O)cc2Br)nnc1-c1ccncc1 408554190 CGBKGLNMOSAIGH-UHFFFAOYSA-N 379.239 3.679 0 40 GHAB COc1c(C)cc(Br)cc1C(=O)NC(=S)NCc1ccccc1 408624141 BFIYPAYDFMDSDV-UHFFFAOYSA-N 393.306 3.571 0 40 GHAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1=O 408638403 CCEHNLUFEUBQSP-SFHVURJKSA-N 394.471 3.860 0 40 GHAB Cc1nc(COc2ccc(CN3C[C@H](C)C(=O)Nc4ccccc43)cc2)no1 513570678 DBBHITGLPDQPEG-AWEZNQCLSA-N 378.432 3.552 0 40 GHAB COc1ccc(C[C@@H](C)c2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 544963135 PSPZQAZCVUQCSG-WBVHZDCISA-N 377.444 3.945 0 40 GHAB COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1coc(CC2CC2)n1 585079928 GCUFGVIHLNJLRS-UHFFFAOYSA-N 385.464 3.503 0 40 GHAB Cc1cc(C)nc(N2CCC3(CC2)Cc2ccccc2CN(C(C)C)C3=O)n1 585105881 WLUUBSQYTOVEAJ-UHFFFAOYSA-N 378.520 3.673 0 40 GHAB COc1ccc2[nH]cc(CC(=O)N3[C@H](c4ccccc4)CC[C@@H]3C(=O)O)c2c1 621587918 LNKUDXFWMRMSTO-VQTJNVASSA-N 378.428 3.536 0 40 GHAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)Cc3ccccc3F)C2)N1C 643574079 ARQDKLPVGJCNJH-RTWAWAEBSA-N 395.522 3.984 0 40 GHAB Cc1ccc(NC(=O)c2cc3cc[nH]c(=O)c3s2)cc1C(=O)N1CCCCC1 648883597 LUCXMVGZBCCPHG-UHFFFAOYSA-N 395.484 3.776 0 40 GHAB COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(Cl)ccc1-n1cncn1)CCC2 653504833 LIFZFZMYYLPFKG-INIZCTEOSA-N 382.851 3.988 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(c2ccc(C3CC3)nn2)C1 827736386 GZEVUOFAQVBESZ-KRWDZBQOSA-N 384.911 3.583 0 40 GHAB CCCc1ccc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)o1 1615121099 MVKVDIRCUBWLKF-QFIPXVFZSA-N 386.467 3.769 0 40 GHAB COc1cc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)ccn1 1615125150 ZBKZUFHNZYEZCW-QFIPXVFZSA-N 383.467 3.893 0 40 GHAB Cc1cc2c(N3CCC[C@H](COc4ncccc4C(F)(F)F)C3)nccn2n1 1775970735 IQYUZRUJSGFNCM-AWEZNQCLSA-N 391.397 3.747 0 40 GHAB Cc1ncsc1C(=O)N1CCC(COc2ncccc2C(F)(F)F)CC1 1775995961 OSMSZSLMFVJHFY-UHFFFAOYSA-N 385.411 3.797 0 40 GHAB Cc1cccc(CN2CCC[C@@]3(CCCN(C(=O)c4sc(C)nc4C)C3)C2)n1 2056224745 TUIWDPRJFOLNJA-JOCHJYFZSA-N 398.576 3.982 0 40 GHAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(OC)c(OC)c3)n3ncnc3N2)cc1 803097 HHFWTJCXXSPCBI-ROUUACIJSA-N 380.448 3.840 0 40 GHAB CCN(CC)C(=O)CSc1nnc(COc2cccc3ccccc23)n1C 881572 BSMOPTQYZOXNOW-UHFFFAOYSA-N 384.505 3.508 0 40 GHAB Cc1cc2ccccc2n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc12 1223184 SYYZONSYXUBPPJ-UHFFFAOYSA-N 392.440 3.650 0 40 GHAB COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1Cl 1379579 UYPAYHJKHGHEEH-QGZVFWFLSA-N 387.867 3.661 0 40 GHAB CC[C@H](C(=O)O)n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O 1784730 KUYNWHILKZJSFU-CQSZACIVSA-N 399.472 3.671 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(C2CCCCC2)n1N 2448081 MMWYXOXXEWMWEK-UHFFFAOYSA-N 379.917 3.732 0 40 GHAB CCCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 2624186 DXMZIBQBKWPLAJ-UHFFFAOYSA-N 399.491 3.592 0 40 GHAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccnc1Cl 3268810 LBILLVOYSVVDAC-UHFFFAOYSA-N 376.894 3.959 0 40 GHAB C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cccc(C(F)(F)F)c1 3352167 YDIVCDZKYQZAQO-JTQLQIEISA-N 381.306 3.618 0 40 GHAB C[C@@]1(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1(Cl)Cl 3502074 MNUYZWZNSAWPOC-LBPRGKRZSA-N 386.153 3.651 0 40 GHAB CCOc1ccccc1C(=O)N[C@H](C(=O)NCc1ccccc1Cl)C(C)C 3517848 IXOMFTDWJDSQPW-IBGZPJMESA-N 388.895 3.810 0 40 GHAB Cc1ccc(N(C(=O)c2ccc(Cl)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1C 5071203 KOEZDIZUPYTUTM-GOSISDBHSA-N 375.877 3.914 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1N1CCCCS1(=O)=O 5439497 RMIJPGFNJZPNSL-UHFFFAOYSA-N 378.881 3.831 0 40 GHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)cc1 5956809 YXZMFOOFWHZOLE-NSHDSACASA-N 377.824 3.758 0 40 GHAB COc1ccc(-c2nc(C(=O)NCCCO)cc3c2[nH]c2ccccc23)cc1 5959587 VRNNHHWDNGRAEO-UHFFFAOYSA-N 375.428 3.504 0 40 GHAB biogenic O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CCCCC1 6241481 PXYRVRFDLGSVLZ-UHFFFAOYSA-N 392.908 3.548 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc[nH]3)C2=O)cc1Cl 6478124 LENLKWKTNJVRFB-RIYZIHGNSA-N 375.837 3.652 0 40 GHAB O=C(COC(=O)CCc1nc2ccccc2s1)NCc1cccc(Cl)c1 6625574 TUHAUOIHTRNZCX-UHFFFAOYSA-N 388.876 3.742 0 40 GHAB Cc1ccc(-c2nn([C@H]3CC(=O)[C@@H]4OC[C@H]3O4)c(=S)n2-c2ccccc2)cc1 6658556 UMRZLCRVSSTORF-ILZDJORESA-N 393.468 3.634 0 40 GHAB CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCOC)c1 6732798 SDRWWOMDBWAQEK-LJQANCHMSA-N 397.402 3.522 0 40 GHAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1 6837636 XHHXTCULDZDFSN-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB CNc1nnc(SCc2cc(OC)c(Br)cc2OC)s1 7102748 XHNXCHPITRMZBR-UHFFFAOYSA-N 376.301 3.652 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)CN2c3ccccc3CC[C@@H]2C)c1 7217750 ZCOXMVOUGYLNEZ-KRWDZBQOSA-N 379.504 3.948 0 40 GHAB CSc1nc(N2CCCCC2)c2cc(C(=O)NCc3cccnc3)sc2n1 7365772 RHCNRLQZNRYAGL-UHFFFAOYSA-N 399.545 3.729 0 40 GHAB CC(=O)Nc1cccc(NS(=O)(=O)c2cc(Br)ccc2C)c1 7417658 DZLYVGXDKDNWTC-UHFFFAOYSA-N 383.267 3.517 0 40 GHAB O=C(O)/C(Sc1nnc(-c2ccc(Cl)cc2)o1)=C1\C(=O)Nc2ccccc21 7603248 TVLQJXYUEIUUSX-BUHFOSPRSA-N 399.815 3.930 0 40 GHAB O=C(NCCCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7652063 AENXPPYHFRAFIG-IBGZPJMESA-N 384.907 3.941 0 40 GHAB CN1C(=O)COc2ccc(-c3csc(NC(=O)CCc4ccccc4)n3)cc21 7996807 IADJCNCRFBQOGX-UHFFFAOYSA-N 393.468 3.737 0 40 GHAB CN(C)[C@@H](CNC(=O)c1ccc(C(=O)c2ccccc2)cc1)Cc1ccccc1 8074788 OTDACHVNBJHPKD-HSZRJFAPSA-N 386.495 3.820 0 40 GHAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)on1 8256459 YHSUOGCHVQXXQI-QMMMGPOBSA-N 376.718 3.839 0 40 GHAB C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NCCc1cccs1 8325112 UDXCMFBRQJMXBN-NSHDSACASA-N 376.482 3.512 0 40 GHAB CC[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(Br)cc1 8405622 GYXHRZFZGVQWSB-HNNXBMFYSA-N 386.249 3.567 0 40 GHAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1 8414304 DWEWJRMHBHUQQN-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Cl 8477369 OHKUYWYYECANRA-NTEUORMPSA-N 376.840 3.532 0 40 GHAB CCn1c(SCc2nc(-c3ccc(OC)cc3)no2)nc2ccccc2c1=O 8538983 XYQQGBFWLZGXRD-UHFFFAOYSA-N 394.456 3.767 0 40 GHAB Cc1ccccc1OCc1nn(CC(=O)N[C@@H]2CCCC[C@H]2C)c(=S)o1 8571587 CERKIGRULPWGEX-UKRRQHHQSA-N 375.494 3.788 0 40 GHAB C[C@H](Sc1nnc(Cc2ccc(Cl)cc2)n1C)C(=O)Nc1nccs1 9304563 LWCSRZUWTMFPHI-JTQLQIEISA-N 393.925 3.635 0 40 GHAB Cc1oc(CO)cc1C(=O)O[C@H](C)C(=O)Nc1ccc(SC(F)F)cc1 10725462 BBCORYCAAMCXSW-SNVBAGLBSA-N 385.388 3.579 0 40 GHAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(c2n[nH]c3nccnc23)CC1 12228421 YUGBELUIAUXROI-UHFFFAOYSA-N 390.274 3.608 0 40 GHAB COCCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(C)cc1 12419239 ZNRBMANRRTVBDW-UHFFFAOYSA-N 386.473 3.850 0 40 GHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2ccc(F)cc2nc1C 12552893 JBSWVQRPFSEAEN-UHFFFAOYSA-N 392.478 3.995 0 40 GHAB Cc1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1F 12737931 OYWYCRIHGHQNGH-UHFFFAOYSA-N 393.462 3.891 0 40 GHAB Cc1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1F 12777819 IVODHOSRIRMYFO-UHFFFAOYSA-N 393.344 3.784 0 40 GHAB CC(=O)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1 12897731 LOQZABVPTUBDEN-UHFFFAOYSA-N 389.455 3.968 0 40 GHAB COc1ccc2oc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)c(C)c2c1 12906089 QDIQMHMULKUNJQ-HXUWFJFHSA-N 394.471 3.553 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3COc4ccccc4C3)n2)cc1 12917374 NFHAJSIKEGEKOX-MRXNPFEDSA-N 393.468 3.958 0 40 GHAB COc1c(Cl)cc(Cl)cc1/C=c1\sc2nc3ccccc3n2c1=O 13739267 NNBXFJQUHZBPEQ-AUWJEWJLSA-N 377.252 3.772 0 40 GHAB O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1)c1cccc(Cl)c1 13944270 NKQIQGJPKMGAIJ-ZDUSSCGKSA-N 398.875 3.964 0 40 GHAB COc1ccccc1CNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 16635096 KDLBBCQJJDDBMG-UHFFFAOYSA-N 391.349 3.535 0 40 GHAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCc3ccccc3C2)c1 17322007 DDRFCWBYXQMWGQ-UHFFFAOYSA-N 378.501 3.891 0 40 GHAB COc1ccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)c(OC)c1 18215572 DOQCNEPMTADKKJ-UHFFFAOYSA-N 390.483 3.815 0 40 GHAB C[C@H]1CC[C@@H]2C(=O)N(c3ccc(OCC(=O)c4ccccc4)cc3)C(=O)[C@@H]2C1 18241147 IBZHGKZJJFODPM-RYGJVYDSSA-N 377.440 3.874 0 40 GHAB C[C@@H](Oc1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)c1ccccc1 18241202 TYNFUDZNYJDQKE-NJAFHUGGSA-N 375.424 3.792 0 40 GHAB COc1ccc(OC)c(C(=O)N2CCCC[C@H]3NCC[C@H](c4ccccc4)[C@H]32)c1 19551068 QMVYQYTUMYJZAM-KJXAQDMKSA-N 394.515 3.844 0 40 GHAB CCOc1ccccc1C(=O)Nc1cccc([C@H]2C[C@@H](NC(C)=O)CCO2)c1 19712055 RXIVYZCZXRGXDK-GHTZIAJQSA-N 382.460 3.694 0 40 GHAB CCCN(CCC)CN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 19990256 OUVRNDHPRODTMQ-SFQUDFHCSA-N 378.494 3.820 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CSCc1cc(=O)n2c(C)csc2n1 23415403 ZHJIAKKYMJDUHM-UHFFFAOYSA-N 383.498 3.970 0 40 GHAB Cn1ccnc1[C@H](NC(=O)NCCc1ccc(Cl)cc1)c1ccccc1F 29317254 BMTOWJNVANTTJH-GOSISDBHSA-N 386.858 3.844 0 40 GHAB CCN1CCC(NC(=O)COc2ccc3cc(Br)ccc3c2)CC1 30014357 OBCKNFBCTSLPTM-UHFFFAOYSA-N 391.309 3.582 0 40 GHAB O=S1(=O)C[C@@H]2N=C(SCc3ccccc3)N(c3cccc(Cl)c3)[C@H]2C1 32640610 NNVVUKJZHWGQQI-IRXDYDNUSA-N 392.933 3.615 0 40 GHAB O=C(CCSc1ccccc1F)NCc1nnc2ccc(C(F)(F)F)cn12 32842094 JJPOUQGOBPWPRF-UHFFFAOYSA-N 398.385 3.686 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 32909690 VOBFDSJDNYGHSB-UHFFFAOYSA-N 394.805 3.540 0 40 GHAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1-n1nnc(-c2ccc(F)cc2)n1 32938000 QXKNRLJDWJSWFC-UHFFFAOYSA-N 383.386 3.977 0 40 GHAB O=C(OCc1nnc(-c2cccs2)o1)c1ccc(OC[C@@H]2CCCO2)cc1 32950381 PLBAJSYKAZMMMB-HNNXBMFYSA-N 386.429 3.713 0 40 GHAB O=C(c1cccc(OC(F)(F)C(F)F)c1)N1CCN(Cc2ccccc2)CC1 33682487 IXLAEZARKTVIMV-UHFFFAOYSA-N 396.384 3.881 0 40 GHAB CN(C)c1nc2ncnc(SCC(=O)Nc3ccc(Cl)cc3)c2s1 35483664 RTLHWYJDNSWDMG-UHFFFAOYSA-N 379.898 3.537 0 40 GHAB CCOc1ccccc1N[C@H]1CC(=O)N(c2ccccc2Br)C1=O 36635820 NROPXXYMGPDSTB-AWEZNQCLSA-N 389.249 3.592 0 40 GHAB COC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 39760816 ZBHJBBHVVHCNJU-UHFFFAOYSA-N 386.879 3.977 0 40 GHAB Cc1cc2nc(NC[C@H](c3ccc(C)o3)N3CCOCC3)c3ccccc3n2n1 40071534 VDHGUVGIFDQGTC-LJQANCHMSA-N 391.475 3.578 0 40 GHAB C[C@@H]1CCCN(CCCCNC(=O)c2cc(C3CC3)nn2-c2ccccc2)C1 40112686 SNBQZTSHNNYSDR-GOSISDBHSA-N 380.536 3.992 0 40 GHAB CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cccs2)C(CC)CC)c1 40158090 RYAAVXVAAGYHIQ-GOSISDBHSA-N 394.562 3.954 0 40 GHAB Cc1ccccc1-c1cc(C(=O)NC[C@H]2CCOC2)c2cnn(C(C)C)c2n1 41370118 HFWKYKAEMRZINV-MRXNPFEDSA-N 378.476 3.754 0 40 GHAB Cc1cc(NC(=O)c2ccc(Cn3ccnc3C)cc2)ccc1N1CCCC1=O 44855072 JAJRYGROOWFLCL-UHFFFAOYSA-N 388.471 3.927 0 40 GHAB CN(C)c1ccc(-c2cn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1 45221627 QYLMZLYBAYPCCS-UHFFFAOYSA-N 394.456 3.832 0 40 GHAB Cc1nn(C(F)F)c(C)c1CC(=O)N(C)Cc1ccc(Br)s1 48354322 PYCWIMWKUDDXGJ-UHFFFAOYSA-N 392.269 3.920 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3nccs3)C2)c2ccc(F)cc2n1 48365029 UAGBJMATLJHNTN-CYBMUJFWSA-N 398.463 3.630 0 40 GHAB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)Nc1ccccc1Cn1cncn1 55969647 IAECLMZJFHYUIR-VMPITWQZSA-N 392.846 3.951 0 40 GHAB COc1cccc(N2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)c1 57450654 LBIYWFASNNUMPR-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB CCN1CCN(C(=O)N[C@@H](c2ccc(C)c(F)c2)C(Cl)(Cl)Cl)CC1 57531545 UGGVTFPKYZCPSO-AWEZNQCLSA-N 396.721 3.893 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)nc1)N(Cc1cccnc1)C[C@H]1CCCO1 58265362 MIZFFJOSARVQCV-HXUWFJFHSA-N 395.507 3.680 0 40 GHAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)Nc1cccc(C(F)(F)F)c1 77099771 WRCWGMKEJXDPEM-UHFFFAOYSA-N 395.381 3.972 0 40 GHAB O=C(N[C@H]1CCc2ccccc21)c1nnn(-c2ccccc2F)c1-c1ccccn1 77199886 PNYZSZHMUPFVEP-SFHVURJKSA-N 399.429 3.886 0 40 GHAB Cc1cc(NC(=O)Cc2coc(-c3cccs3)n2)ccc1N1C(=O)CCC1=O 95958857 LPYFFSUSUKFORS-UHFFFAOYSA-N 395.440 3.546 0 40 GHAB CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 95998623 UDMDMLSLZQPURK-LLVKDONJSA-N 381.263 3.695 0 40 GHAB O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(Cl)s1 96121447 QVASSZTUABWRIH-UHFFFAOYSA-N 386.908 3.969 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@@H](NCc2ccccc2)c2ccccc2)cc1 96191947 QETRSAJSDWLBPQ-JOCHJYFZSA-N 380.513 3.804 0 40 GHAB COc1ccc(CNC(=O)NCC2(Sc3ccccc3)CCOCC2)cc1 96331367 LEVJZQPANSFARN-UHFFFAOYSA-N 386.517 3.836 0 40 GHAB COc1cc(C(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc(OC)c1OC 109021689 COXRYYNDBVOMGI-MRXNPFEDSA-N 397.431 3.693 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)n1 148497835 MQDGPBFNCOYEME-UHFFFAOYSA-N 388.471 3.927 0 40 GHAB COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)o2)c1 222767244 WDIAEKQENIYZDK-MOPGFXCFSA-N 393.468 3.731 0 40 GHAB CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccn1)c1ccccc1 223340310 OOHJZTLRNAQIHE-QHCPKHFHSA-N 387.483 3.878 0 40 GHAB CN(c1ccc(C(=O)N2CCCCC2)c(Cl)c1)S(=O)(=O)c1ccccc1 224227755 OTEGBXCJBOAKHG-UHFFFAOYSA-N 392.908 3.791 0 40 GHAB O=C(COc1ccc(Br)cc1)NCCOc1ccccc1Cl 224240558 OTVIBLUQAXDDMV-UHFFFAOYSA-N 384.657 3.677 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C 224973447 HHNNZAWHEXXYOL-RTBURBONSA-N 382.504 3.706 0 40 GHAB Cc1ccccc1-c1noc(CN(C)C(=O)COc2ccc3c(c2)CCCC3)n1 225385195 FCGBBVFHPYWQIE-UHFFFAOYSA-N 391.471 3.961 0 40 GHAB Cc1ccc2oc(=O)c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c1 226037367 ISCHWJJWTBUQEM-UHFFFAOYSA-N 382.847 3.717 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)n1 257221912 DRBTWCPMQVOSOU-FQEVSTJZSA-N 396.466 3.972 0 40 GHAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 257234109 GSDKWGNWMAFUEI-MRXNPFEDSA-N 398.470 3.510 0 40 GHAB CCn1cc(CN2CCO[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1 257262171 LKKHUDSIZBDETM-QFIPXVFZSA-N 378.476 3.547 0 40 GHAB O=C(c1ccoc1)N1Cc2ccccc2[C@H](c2nccn2Cc2cccnc2)C1 306140661 UZXAZMPDAKRLAM-OAQYLSRUSA-N 384.439 3.707 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1 408598165 XOKPZUCTIOSATE-UHFFFAOYSA-N 391.493 3.664 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1cccc(OC(=S)N2CCOCC2)c1 408720957 BXNMMNMXYPJLEZ-UHFFFAOYSA-N 376.865 3.588 0 40 GHAB CCc1ccc(C2=NN(C(=O)c3cccc(F)c3)[C@](O)(C(F)(F)F)C2)cc1 409094358 DQMVHPLTOUQIGI-GOSISDBHSA-N 380.341 3.889 0 40 GHAB Cc1cccc(OCc2nn(CC(=O)N[C@@H](C)c3ccccc3)c(=S)o2)c1 409157738 RTMRNAIEDQNJSC-HNNXBMFYSA-N 383.473 3.970 0 40 GHAB CC1=C(c2ccco2)CN(C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1 512730169 QAFIXQRKCGZGPK-GOSISDBHSA-N 387.524 3.753 0 40 GHAB Cc1cncc(N(Cc2ncc[nH]2)C(=O)C[C@H]2CSc3ccccc3O2)c1 571527440 WRXGSUJBQDSTBN-INIZCTEOSA-N 380.473 3.590 0 40 GHAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC(C)(C)[C@H]2c2cccs2)c1 585083388 DJQCJCLVHDZDKT-QGZVFWFLSA-N 392.546 3.578 0 40 GHAB COc1ccc(CC(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1OC 655265111 GDDTWVLCOLEZGH-UHFFFAOYSA-N 391.471 3.596 0 40 GHAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1cncc(N2CCCC2=O)c1 1775965587 FCTPFJNQTPPXFN-UHFFFAOYSA-N 392.286 3.764 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@]3(CCCN(Cc4ccccn4)C3)C2)s1 2056223223 HMAYQQNANYCDNX-NRFANRHFSA-N 384.549 3.673 0 40 GHAB CCN(CC)c1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cn1 47215506 HTNDJZXZRWXUFG-UHFFFAOYSA-N 376.501 3.513 0 40 GHAB O=C(COc1ccc(Cl)cc1)N1CCN(c2nsc3ccccc23)CC1 9048087 NEFWPDRLSVYXCB-UHFFFAOYSA-N 387.892 3.677 0 40 GHAB CS(=O)(=O)Nc1ccc(-c2csc(NCCc3cccs3)n2)cc1 12536082 XTYJLVGZSFEOFH-UHFFFAOYSA-N 379.532 3.898 0 40 GHAB NS(=O)(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1752613 HZGSAIKPYCRYIF-UHFFFAOYSA-N 393.774 3.650 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)cc1Cl 2348976 XYHWNJJDXHYSIJ-UHFFFAOYSA-N 394.909 3.936 0 40 GHAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1O[C@@H](C)C(=O)OC 3121513 QTZURCMSQWKDHN-LBPRGKRZSA-N 396.395 3.691 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)c3ccccc3Cl)cc2c1 4230953 UPRSVRFGUXNOIF-UHFFFAOYSA-N 384.863 3.515 0 40 GHAB Cc1ccc(NC(=S)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1C 6079404 VFVLJNCBUNREPO-UHFFFAOYSA-N 377.535 3.671 0 40 GHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2c(C)n(C)c3ccccc23)C1=O 6939092 SEJJCBJZCZFUTA-NJPLLEPOSA-N 386.473 3.865 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 24606019 WYGFQBCXGHPLBZ-UHFFFAOYSA-N 398.459 3.968 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)Nc2ncc(Cl)cc2Cl)n1C 7236420 RWSCXFJJMUUWDJ-UHFFFAOYSA-N 398.275 3.816 0 40 GHAB C[C@H]1CN(Cc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C[C@H](C)O1 24965419 DXSKAWFPOUMWHN-ROUUACIJSA-N 391.515 3.750 0 40 GHAB CCc1nc2ccccc2c(C(=O)OCC(=O)N2CCc3ccccc3C2)c1C 3245743 PEPKMERXYDEQKW-UHFFFAOYSA-N 388.467 3.847 0 40 GHAB COc1ccc(CS(=O)(=O)C[C@](C)(O)c2ccc(Cl)c(Cl)c2)cc1 1388767 UJKOBOLMEBTGDZ-KRWDZBQOSA-N 389.300 3.825 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)no1 8297853 AZFKDRVZDXZYTO-UHFFFAOYSA-N 398.492 3.873 0 40 GHAB COc1cc(C(=O)Nc2c(C)cccc2C(C)C)cc(Cl)c1OCC(N)=O 8744819 NCTUDGTVHNNPBP-UHFFFAOYSA-N 390.867 3.897 0 40 GHAB O=S(=O)(NCc1ccco1)c1cc(Cl)c(Cl)cc1Br 54363512 MCIKNHGNUCYCEU-UHFFFAOYSA-N 385.066 3.827 0 40 GHAB O=C(Nc1nc2ccccc2s1)[C@H]1CCCN1c1nccc(C(F)(F)F)n1 25570613 JTPNDJQMBVEIPS-LLVKDONJSA-N 393.394 3.713 0 40 GHAB COc1ccc([C@H](CNc2ncnc3c2cnn3-c2ccccc2)N(C)C)cc1 12601307 PEKRAXSTLBIORP-FQEVSTJZSA-N 388.475 3.539 0 40 GHAB FC(F)(F)COc1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)cc1 12606847 NBMJUSLTILADAI-UHFFFAOYSA-N 377.248 3.828 0 40 GHAB O=C(Cc1csc(-c2cccnc2)n1)N1CC=C(c2ccc(O)cc2)CC1 57841793 SAWCHLYFCJSNCL-UHFFFAOYSA-N 377.469 3.769 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)NCc2ccc(C)c(F)c2)c(OC)c1 10131567 NXVTYKPMXOHDDU-FQEVSTJZSA-N 386.467 3.605 0 40 GHAB COc1ccc(Br)c(C(=O)Nc2ccc(N3CCCC3)nc2)c1 12771781 HLCYGSKKRXCIJS-UHFFFAOYSA-N 376.254 3.705 0 40 GHAB Cc1ccc(CCC2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)cc1 12762749 TTWXMXRRUTXDSR-UHFFFAOYSA-N 379.504 3.648 0 40 GHAB COc1ccc([C@H](C)OC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1F 10569140 BYYXSXGLLCKRQK-JTQLQIEISA-N 388.363 3.749 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc(NC(C)=O)c(Cl)c2)c1C 10944341 CNRTYKVNJNNJSD-NSHDSACASA-N 391.855 3.713 0 40 GHAB COc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 3392416 PCCWOWJQBPTTKM-UHFFFAOYSA-N 375.424 3.758 0 40 GHAB CCCn1nccc1[C@H]1CC(c2c(O)cc(C)oc2=O)=Nc2ccccc2N1 36619563 ACVKJYVSRWFGHO-MRXNPFEDSA-N 378.432 3.938 0 40 GHAB O=C(Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O)c1ccc(F)cc1 2433529 MFTNAFTVBYUYQP-AWEZNQCLSA-N 379.366 3.920 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 12811557 GVFQOUWSXDNRNO-FXAWDEMLSA-N 380.488 3.781 0 40 GHAB COc1ccc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccc(OC)c(OC)c2)C3)cc1 100766747 JVYFPZZCJBKULN-WOJBJXKFSA-N 397.515 3.832 0 40 GHAB Cc1nc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)sc1C 100179772 ZIDVWOQYNDEBLD-YOEYTUCGSA-N 397.500 3.653 0 40 GHAB c1ccc(CN2CC[C@@H]2c2nc(-c3ccc(CN4CCOCC4)cc3)no2)cc1 97101334 IOIHNRXGPGHQOT-OAQYLSRUSA-N 390.487 3.516 0 40 GHAB Cc1ccccc1[C@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 20037487 RIFCZCUTZJHPJS-OAQYLSRUSA-N 394.496 3.886 0 40 GHAB COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(OC(F)F)cc3)nc12 2786826 ZANQFARSKWOBED-UHFFFAOYSA-N 387.264 3.803 0 40 GHAB COc1cc(CCC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc(OC)c1 12909254 NSXJTJKXRRDFFT-FQEVSTJZSA-N 390.911 3.709 0 40 GHAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(OC)c2)cc1 409100293 UEDNEILYWNEVLA-UHFFFAOYSA-N 382.489 3.878 0 40 GHAB COC(=O)c1cnc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)s1 12927942 PZHDEDCPORDDFC-UHFFFAOYSA-N 393.877 3.888 0 40 GHAB Cc1nc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(=O)O)c3)cc2s1 13062824 IMYDEVLVCYUPOM-UHFFFAOYSA-N 382.850 3.757 0 40 GHAB CCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1c1cccc(OC)c1OC 9111525 QRWLYUYVMALVOW-IBGZPJMESA-N 393.443 3.884 0 40 GHAB C[C@@H](OC(=O)c1ccccn1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 5060182 BKMDWNWRXCENEA-SNVBAGLBSA-N 389.383 3.667 0 40 GHAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N1CCN(c2ccccn2)CC1 13720560 KMMKXNWDLQBZMX-UHFFFAOYSA-N 398.919 3.750 0 40 GHAB CCc1ccc(-c2csc(NC(=O)Cc3c(C)nc4ncnn4c3C)n2)cc1 14094318 QRPBQAIFCHGPSY-UHFFFAOYSA-N 392.488 3.608 0 40 GHAB COCCNc1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)s1 6427314 YPUJJQGRUJNIOY-MRVPVSSYSA-N 390.893 3.508 0 40 GHAB CN(Cc1ccccc1)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 6532102 NSMDOUBPJAPANR-UHFFFAOYSA-N 392.528 3.955 0 40 GHAB CCOC(=O)c1cc(NC(=O)c2ccc(CC)cc2)ccc1N1CCOCC1 4705147 OYTSHUUSVKEINS-UHFFFAOYSA-N 382.460 3.515 0 40 GHAB Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(Oc2cccc3[nH]ccc23)nc1 72406269 UICCHHYEOLOLFA-UHFFFAOYSA-N 388.427 3.923 0 40 GHAB CCC1=C(C(=O)OC)[C@@H](c2cccc(OCc3ccccc3)c2)NC(=S)N1 15497175 KJDFXGPYUXAVRK-LJQANCHMSA-N 382.485 3.622 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2c3c(nc4ccccc24)CCCCC3)no1 7297369 XLHCKSQACGLXKM-CQSZACIVSA-N 393.443 3.984 0 40 GHAB COc1ccc(-c2noc(CCCC(=O)Nc3cccc(C(C)=O)c3)n2)cc1 15669632 UIQJCVYBKXIBCW-UHFFFAOYSA-N 379.416 3.909 0 40 GHAB COc1ccccc1-n1c(S[C@H]2C[C@@H](C)OC2=O)nnc1-c1cccs1 8191329 IGORXLBEFZEHLG-ABAIWWIYSA-N 387.486 3.801 0 40 GHAB COc1ccc(C)cc1C1=C[C@](C)(c2cc(C)ccc2OC)Nc2nnnn21 8131784 XXDUJLHBFCNNFX-OAQYLSRUSA-N 377.448 3.537 0 40 GHAB CC1CCN(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1 8212403 NADWZPCNNPZOCA-UHFFFAOYSA-N 386.517 3.784 0 40 GHAB COc1ccccc1C1(c2nnc([C@@H]3COc4ccccc4O3)o2)CCOCC1 71889825 ISGARQUOUCOSLH-IBGZPJMESA-N 394.427 3.687 0 40 GHAB CCOc1ccc(CCNC(=O)c2cc(Cl)c3c(c2)OCO3)cc1OCC 8304702 RJDIMTOQWWNFRD-UHFFFAOYSA-N 391.851 3.839 0 40 GHAB CC(=O)Oc1ccc(Br)cc1/C=C/c1nc2ccccc2c(=O)[nH]1 8566116 SHASXHWVGQIZTB-RMKNXTFCSA-N 385.217 3.781 0 40 GHAB C[C@H](Oc1ccccc1F)c1nnc(SCc2cc(=O)n3ccccc3n2)o1 8744758 GQLMEEGJSVDWDL-LBPRGKRZSA-N 398.419 3.649 0 40 GHAB Cc1[nH]c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)cc2c1C 9885189 FGBJFXSBLNSNRA-UHFFFAOYSA-N 397.500 3.822 0 40 GHAB CS(=O)(=O)c1nc(C(=O)Nc2cc(C(F)F)ccc2Cl)c2ccccn12 89493022 LKGFZOGFLAPFKD-UHFFFAOYSA-N 399.806 3.581 0 40 GHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2CN(Cc3ccncc3)C[C@H]21 306128575 HFDWTPMKFKDOPS-YLJYHZDGSA-N 382.510 3.565 0 40 GHAB CCN(c1cccc2ccccc12)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 89969506 SFIHPGRVXNBCBP-UHFFFAOYSA-N 380.469 3.940 0 40 GHAB Cc1ccccc1CNC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408704844 UHDWHJNGNWRSCF-UHFFFAOYSA-N 394.496 3.754 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1 55211087 WTHNHVWTLFUCRV-UHFFFAOYSA-N 394.302 3.763 0 40 GHAB Cc1c(Cl)cccc1-n1nc(C(N)=O)nc1-c1ccc(Br)cc1 408693998 GSWUNIBOGUTRSL-UHFFFAOYSA-N 391.656 3.758 0 40 GHAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)N[C@@H]5CCc6ccc(-c7ccccc7)cc65)[C@@H]4[C@H]3[C@@H]12 505979699 UMCVVGJSQXEEIZ-AZJALBRWSA-N 381.475 3.784 0 40 GHAB CCCc1nnc(NC(=O)c2cc(=O)c3ccc(Br)cc3o2)s1 32593598 CRZUDYPOSOWTQX-UHFFFAOYSA-N 394.250 3.612 0 40 GHAB CCOC(=O)CCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 38677781 QRXUUHPWSXSCOL-UHFFFAOYSA-N 380.444 3.561 0 40 GHAB O=C(CCc1ccccc1F)NC[C@H](c1ccccc1Cl)N1CCOCC1 32374885 JEQKWMYEEFHZLI-HXUWFJFHSA-N 390.886 3.601 0 40 GHAB C[C@@H](NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O)c1ccccc1 219151445 ZSFBIFCKMRXDDN-MRXNPFEDSA-N 392.480 3.740 0 40 GHAB CCCNC(=S)Nc1nc(N2CCCCC2)cc(N2C[C@H](C)C[C@@H](C)C2)n1 225885085 DDWHZUOJEGVZKU-HZPDHXFCSA-N 390.601 3.646 0 40 GHAB COc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1COC(C)C 224422746 YCJAISZDZWQXDQ-UHFFFAOYSA-N 387.476 3.610 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCSCc2ccccc2F)cc1C 222876285 MEDPSGICKCGFCY-UHFFFAOYSA-N 383.510 3.663 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 222534483 FYZHEOZENSJDAP-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB O=S(=O)(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccccc1F 48332483 HCAOXCYEUYUASF-QGZVFWFLSA-N 382.888 3.595 0 40 GHAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc21 225676262 XSDUEHCRAAKKTD-UHFFFAOYSA-N 389.285 3.708 0 40 GHAB CC(C)N(Cc1cccnc1)C(=O)c1ccccc1I 47422801 PXUFOCZDZDDYNG-UHFFFAOYSA-N 380.229 3.737 0 40 GHAB CCN(CC)C(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224314165 URNCBVAEYHJQGG-UHFFFAOYSA-N 394.924 3.956 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(Br)cc2)n1 77100499 LIOZEDFWEVOTHT-UHFFFAOYSA-N 392.644 3.639 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 222439764 KVHGIEXJUSYOBL-SFHVURJKSA-N 384.545 3.700 0 40 GHAB COc1ccc(CN2C[C@H](C(=O)Nc3ccccc3)C3(CCOCC3)C2)cc1 96052259 SMWXKWLOJMDKOT-OAQYLSRUSA-N 380.488 3.563 0 40 GHAB O=C(Cn1c(C2CCCCC2)nc2ccccc21)N1CCOC[C@H]1CC(F)F 585082623 TUKRNIVDDFZPFQ-MRXNPFEDSA-N 391.462 3.967 0 40 GHAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)c3cccc(F)c3)[C@@H]1CCC[C@@H](O)[C@H]2O 257229051 FWNDMRKTQMHLSR-XARADAHVSA-N 383.463 3.694 0 40 GHAB CNC(=O)c1sc2nc([C@@H]3CCCN3Cc3ccccc3F)ccc2c1N 257272480 NCOIKCLSPAQBKB-INIZCTEOSA-N 384.480 3.714 0 40 GHAB C[C@@]12C[C@H]3CN(C(=O)c4ccc(Cc5ccccc5F)nc4)[C@@H]1CCCC[C@@H]2N3 257341119 ZIWUYRBQPYVZKJ-KZDDHRSZSA-N 393.506 3.947 0 40 GHAB Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 257221123 DNPIQWCPBBUNCP-KRWDZBQOSA-N 397.500 3.607 0 40 GHAB O=C(NC[C@@H](O)c1ccc2c(c1)CCO2)NC(c1ccccc1)c1ccccc1 90611429 XFKKXENQLNHMOV-OAQYLSRUSA-N 388.467 3.744 0 40 GHAB COC(=O)c1cccn1C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 58316722 ZUPIZSUGRCWMML-UHFFFAOYSA-N 394.393 3.700 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)N(C)CCOc1ccc(Cl)cc1 40161977 UXSRYROWJLYPGW-UHFFFAOYSA-N 375.852 3.631 0 40 GHAB Cn1ccnc1[C@H]1N(C(=O)NCc2cccc(-c3ccccn3)c2)CC1(C)C 581929001 SHRDPLPYRPEQNG-LJQANCHMSA-N 375.476 3.775 0 40 GHAB COc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1OC 11613844 POIPVDKPHKMHDP-UHFFFAOYSA-N 390.288 3.532 0 40 GHAB COc1ccccc1C[C@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 12196586 UXBKKMLZLFHNTL-ZDUSSCGKSA-N 395.425 3.537 0 40 GHAB CCOc1cc2c(cc1CNC(=O)[C@@H]1Cc3cc(Cl)ccc3O1)O[C@@H](C)C2 12936259 SNIZZUFNYLODEK-YUNKPMOVSA-N 387.863 3.682 0 40 GHAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)NC2CCCCCC2)c2ccccc12 14136039 XTTFKJYFTPYLDK-UHFFFAOYSA-N 397.519 3.531 0 40 GHAB COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3ccc(C)o3)C1)O2 19216594 XBGUJROYZQFNJX-JPYJTQIMSA-N 398.503 3.618 0 40 GHAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)CO2 19562375 OAKPJNXHWVJLBS-HKUYNNGSSA-N 397.471 3.627 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccccc1F 19570980 BBAHTMMCRNKXAB-IBGZPJMESA-N 379.435 3.887 0 40 GHAB COCC(=O)N1CCc2sccc2[C@@H]1c1ccc(NC(=O)C2CCCC2)cc1 19592920 WSIAXHDAIIGRCM-NRFANRHFSA-N 398.528 3.997 0 40 GHAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)C[C@H]2CCCCO2)C1 12238345 BBKKRHCVOWZRKQ-AEFFLSMTSA-N 380.492 3.628 0 40 GHAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1cccc2ccccc12 3600678 SOQWVCHFQSHPHW-XMMPIXPASA-N 399.450 3.562 0 40 GHAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)o2)c1C 6100206 VCFATQASMLCODP-ZDUSSCGKSA-N 386.477 3.732 0 40 GHAB O=C(COc1ncnc2ccc(Br)cc12)NC1CCCCCC1 6510797 FYAHYZYYNKHRKP-UHFFFAOYSA-N 378.270 3.610 0 40 GHAB CC(C)n1c(N2C[C@H]3CN(C(=O)CCC(F)(F)F)C[C@@H]3C2)nc2ccccc21 1888860280 LOIUIZYNYZKYFQ-HUUCEWRRSA-N 394.441 3.854 0 40 GHAB CC(=O)c1ccc(NC(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1 4315120 GASWFBQSSYFFMM-UHFFFAOYSA-N 376.460 3.584 0 40 GHAB COc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c(OC)c1 5269379 BGOOTGMPNURTMQ-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB Cc1ccnc(Nc2ccc(NCCNC(=O)Nc3cccc(C)c3C)nn2)c1 11696788 LBEWGMZXMXDTHP-UHFFFAOYSA-N 391.479 3.774 0 40 GHAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)Nc1cccc(Cl)c1 23106195 DPKXQEADCOMYHR-GOSISDBHSA-N 377.847 3.674 0 40 GHAB COc1ccc(/C=C/C(=O)NC[C@H](OC)c2cc3ccccc3o2)cc1OC 575415713 VNPOPXTULYDVEL-ZUURVNMSSA-N 381.428 3.967 0 40 GHAB CCCOc1ccc(CCC(=O)NCc2ccc(-c3ccnn3C)nc2)cc1 575619935 HCGANVZSCQJJFX-UHFFFAOYSA-N 378.476 3.520 0 40 GHAB Cc1c(C(=O)N2CCC[C@H](Oc3ccncc3Cl)C2)cnn1-c1ccccc1 575611700 GHKIUDPLGOSGPI-KRWDZBQOSA-N 396.878 3.913 0 40 GHAB Cn1cc([C@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)Cc3ccccc32)cn1 575621261 ZOQMRLJJPWCHQP-QGZVFWFLSA-N 386.377 3.622 0 40 GHAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 585146960 KXPKDBKFYJXLHD-CYBMUJFWSA-N 399.800 3.771 0 40 GHAB O=C(NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3)c1ccccc1Cl 5583668 UGMONCYVPBDMFR-UHFFFAOYSA-N 376.799 3.533 0 40 GHAB Cc1c(C(=O)OCc2cccc(F)c2)nnn1-c1ccc(Br)cc1 12415552 IBPKLOITKLULEA-UHFFFAOYSA-N 390.212 3.834 0 40 GHAB O=c1cc(C[C@H](NCc2ccncc2)c2ccc(F)cc2)nc(C2CCC2)[nH]1 19332481 RIEQZGPFWQZDAJ-FQEVSTJZSA-N 378.451 3.645 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccnc2OCC(F)(F)F)c1 40070132 UYCAIKSZBTYOSU-UHFFFAOYSA-N 388.729 3.715 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccncc3)n2)c(C)c1 40130262 FILBDDPYJHQWTB-UHFFFAOYSA-N 380.473 3.581 0 40 GHAB C[C@H](NC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccc(Cl)cc1Cl 32777429 VZCARCFKCDHGKV-QWHCGFSZSA-N 379.291 3.877 0 40 GHAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)O[C@H](C)C(=O)NC1CC1 32841180 RLLSYAMEYWHAEV-LLVKDONJSA-N 394.880 3.508 0 40 GHAB CC(C)c1ccc(S(=O)(=O)N(Cc2ccccn2)[C@@H]2CCSC2)cc1 32935869 JCYKQDZECOEGCR-GOSISDBHSA-N 376.547 3.901 0 40 GHAB CCc1ccc(Cn2nccc2NC(=O)C[C@H](NC(C)=O)c2cccs2)cc1 22281482 CRPLQQFUHPVJMJ-SFHVURJKSA-N 396.516 3.761 0 40 GHAB O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)NC1CCCCCC1 12389933 XDHKALMJBIEUEJ-UHFFFAOYSA-N 396.516 3.656 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)c2ccc(Br)o2)cc1 12390111 OIWAJKYHRQSKPZ-UHFFFAOYSA-N 376.210 3.548 0 40 GHAB O=C(NCc1ccco1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 865849 ILCNYGXSBZLJBL-BXUZGUMPSA-N 380.326 3.659 0 40 GHAB Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2ccccc2cc1O 896649 MFIZRSACDOLWBN-UHFFFAOYSA-N 396.516 3.882 0 40 GHAB CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccc1 905606 ALXLEQNTOYGGJR-UHFFFAOYSA-N 395.528 3.600 0 40 GHAB Cc1ccc(C)c(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccccn2)c1 1362724 GDDBXRLZCHDYJU-UHFFFAOYSA-N 395.532 3.953 0 40 GHAB C[C@@H](Oc1cccc(C(=O)/C=C/c2cc(Cl)ccc2[N+](=O)[O-])c1)C(=O)O 78868958 VDTUSEWVWCOORS-AYLMVEPYSA-N 375.764 3.996 0 40 GHAB Cc1cc(Br)c(NC(=O)c2csnn2)c(Br)c1 1709781 KGRYBAHRWJYXJU-UHFFFAOYSA-N 377.061 3.624 0 40 GHAB CCc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 33713129 KVFUCJOEEZNPAI-NBVRZTHBSA-N 380.469 3.715 0 40 GHAB CCOc1ccccc1OCC(=O)Nc1ccc(I)cc1 3458287 FCNFGWTYXDDDDQ-UHFFFAOYSA-N 397.212 3.707 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c(c1=O)S[C@H](C)C2 4107877 PLGOTJQIJAVQJX-CYBMUJFWSA-N 389.546 3.648 0 40 GHAB Cc1cc(C)nc(N2CCC[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C2)n1 4411232 BLDGZOWVLZWNSE-INIZCTEOSA-N 392.425 3.645 0 40 GHAB Cc1cc(C)c2c(c1)cc(CN(Cc1ccccc1)C(=O)C1CC1)c1nnnn12 4879189 GVBJTMKVMUQTPD-UHFFFAOYSA-N 385.471 3.833 0 40 GHAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)c1 6570262 HONVPAQNUXNOQR-UHFFFAOYSA-N 394.294 3.678 0 40 GHAB CCc1ccc(C(=O)COC(=O)c2ccccc2SCC(=O)NC(C)C)cc1 6882083 AAQLJBHIQXDECY-UHFFFAOYSA-N 399.512 3.905 0 40 GHAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1cnn(-c2cccc(Cl)c2)c1 55113292 XVBQWOQTQJFAAD-UHFFFAOYSA-N 381.819 3.515 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 7540194 WNGJATCJTPGQEJ-UHFFFAOYSA-N 378.472 3.544 0 40 GHAB COc1cc(CNC(=O)COc2cccc3ccccc23)cc(OC)c1OC 7892401 FYDOMKFYIRJOTG-UHFFFAOYSA-N 381.428 3.561 0 40 GHAB c1ccc(N(c2ccccc2)c2nc(-n3ccnc3)nc(-n3ccnc3)n2)cc1 1434639 TVBVXZRVHVVBFL-UHFFFAOYSA-N 380.415 3.713 0 40 GHAB Cc1cccc(C)c1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C1=O 102731047 ISIBQCTYOALSME-BAGYTPMASA-N 399.450 3.750 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(CN(Cc2ccc(F)cc2)C2CC2)n1 57270849 RINLDRRKWINYHD-UHFFFAOYSA-N 378.455 3.810 0 40 GHAB CCc1cc(=O)n(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc(Cl)c2)n1 57527580 NELKHMCVFGLKDY-HUUCEWRRSA-N 387.911 3.631 0 40 GHAB O=C(NCCCc1nc2ccccc2[nH]1)NCc1ccc(OC(F)(F)F)cc1 9756431 OMIJAJWOHNSVKE-UHFFFAOYSA-N 392.381 3.894 0 40 GHAB CCn1c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c(O)c2ccccc21 100675463 CTFNUWUHLQCJCB-UHFFFAOYSA-N 376.334 3.998 0 40 GHAB COc1ccc(CN(Cc2ccc(F)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 27650750 VFHNLNMRZAHBLJ-KRWDZBQOSA-N 397.899 3.677 0 40 GHAB CCOC(=O)c1[nH]c2cc(Cl)ccc2c1CCN1C(=O)c2ccccc2C1=O 2198168 RZVUFKHRUKXBQB-UHFFFAOYSA-N 396.830 3.837 0 40 GHAB CSc1cc2c(cc1NCC(=O)N[C@@H]1CCCc3ccccc31)OCCO2 58341042 VFXGRLVRLBZVBI-MRXNPFEDSA-N 384.501 3.785 0 40 GHAB Cc1cc(C)c(C(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(C)c1 3365326 CPNJXHWVABQOQN-SFHVURJKSA-N 383.469 3.841 0 40 GHAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1F 2202839 XZMWJANQUXGIPB-UHFFFAOYSA-N 376.482 3.820 0 40 GHAB COc1ccc(-n2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)cc1 2289562 PEDNLAVVATZVTQ-UHFFFAOYSA-N 389.459 3.550 0 40 GHAB Cc1cnc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)s1 10628566 OXCLEZSPUSCXJP-NSHDSACASA-N 387.408 3.912 0 40 GHAB COc1ccc(Cl)cc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 100750251 ZFKFRZUOEWGLBT-MDOVXXIYSA-N 387.911 3.980 0 40 GHAB COC(=O)c1ccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)s1 28498135 QVFDCLZKLXQGMD-UHFFFAOYSA-N 384.413 3.740 0 40 GHAB C[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(Cl)cc1 12858581 ZUCDAMDFZXJKLD-CYBMUJFWSA-N 392.908 3.543 0 40 GHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](Cc1ccccc1)n1cnnn1 12818929 IUBJIKCVTCSGTH-HNNXBMFYSA-N 395.772 3.768 0 40 GHAB CCc1ccc([C@H](N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C(C)C)cc1 11049973 YPTBELNAMXDQCL-JLTOFOAXSA-N 380.492 3.733 0 40 GHAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NC(C)(C)C)cc3C[C@@H]2C)cc1 10326417 NWKGGRCEOKONRF-HNNXBMFYSA-N 386.517 3.663 0 40 GHAB Cc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)c2cnn(C)c2n1 36616904 QKDCDNKPYLZMIK-UHFFFAOYSA-N 392.438 3.530 0 40 GHAB Cc1ccc(C(=O)N2CCc3ccccc32)cc1S(=O)(=O)Nc1ccccc1 10112423 GRGSMWMDFDFEKR-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB Cc1cc(F)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3431135 BFNYBVXENXLUAE-UHFFFAOYSA-N 390.480 3.951 0 40 GHAB CCc1nnc(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)s1 11659746 CIUATVXCLXFSBV-UHFFFAOYSA-N 393.472 3.888 0 40 GHAB C[C@H]1CCCCN1C(=O)Cn1nc(C(F)(F)F)c(Br)c1C1CC1 27937173 KKVGEOPVNNQCBE-VIFPVBQESA-N 394.235 3.943 0 40 GHAB Cc1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)ccc1Br 3433241 WMDUZAQQWFKFQK-UHFFFAOYSA-N 398.260 3.615 0 40 GHAB O=c1cc(CSc2nncn2-c2ccccc2)nc2sc3ccccc3n12 3410956 CZHJKXPIAFVMOV-UHFFFAOYSA-N 391.481 3.782 0 40 GHAB CCOC(=O)c1cc2cc(NCc3cc(=O)n4ccsc4n3)ccc2s1 46502016 IZVNGZHACZSDNW-UHFFFAOYSA-N 385.470 3.760 0 40 GHAB COc1cccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 12977741 OBSKTEZQNCSTLG-LZGZYFLISA-N 382.504 3.841 0 40 GHAB C[C@@H]1c2cccn2CCN1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 12985706 JZZJESQTNBVDPC-MRXNPFEDSA-N 394.544 3.881 0 40 GHAB O=C(CCNC(=O)c1ccsc1)Nc1ccc(Br)cc1Cl 12978971 CNBBNOGDBGJCPH-UHFFFAOYSA-N 387.686 3.923 0 40 GHAB Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)CN2CCCCCC2)[C@@H]3CCC1 13563536 DWUJFNMLPXHGHA-WMZHIEFXSA-N 381.564 3.880 0 40 GHAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3cccs3)c(=O)[nH]c2c1 9243021 STHIWYDEIBPMNY-QGZVFWFLSA-N 382.485 3.719 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@H]1CCO[C@]2(CCOC2)C1 95457744 VVWVUWPJKNMVKE-FXAWDEMLSA-N 375.900 3.570 0 40 GHAB CC(C)Cn1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O 6364630 MEUSRJLGBDBHPK-UHFFFAOYSA-N 387.530 3.523 0 40 GHAB Cc1csc(NC(=O)COC(=O)c2cccnc2Nc2ccccc2F)n1 9350320 YOTHTEACEAPXAE-UHFFFAOYSA-N 386.408 3.525 0 40 GHAB Cc1c(CC(=O)NC[C@H]2CCCO2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 5345402 GQLMIRHYTOLVCE-CQSZACIVSA-N 397.471 3.983 0 40 GHAB CC(C)n1ncc2cc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)cnc21 14181193 IHBQYWQYQZGKQN-UHFFFAOYSA-N 381.461 3.699 0 40 GHAB COCCSc1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 4510443 FXPVMPLTPPHENI-UHFFFAOYSA-N 387.914 3.726 0 40 GHAB O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 4555337 HRVQZWXYHZCCKB-BWKNWUBXSA-N 383.447 3.866 0 40 GHAB CCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3ccccc3nc21 9348222 OACUOTNKCGHSIY-UHFFFAOYSA-N 376.416 3.874 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H](NCc2nnc3ccccn23)c2ccccc2)c1 14242554 DLBQLAPYKALQRB-QFIPXVFZSA-N 385.471 3.816 0 40 GHAB COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1OC 5487714 DIFTZVADYAPALN-CQSZACIVSA-N 397.431 3.777 0 40 GHAB CCNc1nc(SCC(=O)N2CCc3sccc3C2)nc2ccccc12 14312063 HXXOGWHWZNMING-UHFFFAOYSA-N 384.530 3.800 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)c2ccccc2C(=O)c2ccccc2)c1C 6587648 XWGZTXPUCFXDES-UHFFFAOYSA-N 386.451 3.903 0 40 GHAB O=C1N/C(=C/c2cc(Br)ccc2O)C(=O)N1c1ccc(Cl)cc1 4699042 FEHUBXBTBYOTGP-MDWZMJQESA-N 393.624 3.905 0 40 GHAB COc1ccc2nc(NC(=O)[C@H](NC(=O)c3cccs3)C(C)C)sc2c1 9313782 LLUROTLKFLOHEO-OAHLLOKOSA-N 389.502 3.760 0 40 GHAB COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@H]21 5535014 GWEKWJOSBYDYDP-LZOJBRTKSA-N 398.499 3.913 0 40 GHAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(O)c(OCC)c1 6752930 MWEBQJPIDQIBBJ-NRFANRHFSA-N 393.443 3.842 0 40 GHAB CCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCC(C)CC2)n1 225885575 CEELCIUOHSSOKV-UHFFFAOYSA-N 390.601 3.646 0 40 GHAB COc1cccc(-n2nnc(C(=O)N[C@H](C)c3ccccc3)c2-c2ccncc2)c1 67261783 ASNCXUBQRHITOQ-MRXNPFEDSA-N 399.454 3.829 0 40 GHAB CSc1ccccc1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 22393396 FSEPVVAWORGGOJ-UHFFFAOYSA-N 392.546 3.738 0 40 GHAB Cn1c(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)nnc1C1CC1 7235187 ZDLJQGDFGFGRDU-UHFFFAOYSA-N 392.484 3.654 0 40 GHAB COc1cccc(NC(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 95462294 FONSRGUCEPRAGB-PBHICJAKSA-N 377.485 3.995 0 40 GHAB C[C@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C)C(=O)N1CCCC1 7653588 KGDKAEUKFZVATC-ZDUSSCGKSA-N 399.541 3.765 0 40 GHAB Cc1ccc(-c2csc3ncnc(S[C@H](C)C(=O)N4CCNC4=O)c23)cc1 7822061 XTSKUTZQOXCVQF-GFCCVEGCSA-N 398.513 3.699 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)N2CC[C@@H](C)Sc3ccccc32)CC1=O 24584969 UITSIKAGNCLSAZ-CVEARBPZSA-N 396.512 3.966 0 40 GHAB Cc1ccccc1OCC(=O)NC(=S)Nc1nc2ccc(F)cc2s1 408627125 KLQFOXIVYHZILA-UHFFFAOYSA-N 375.450 3.636 0 40 GHAB O=C1C[C@H](N2CC=C(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 18093506 FVAFGMLAISESTJ-IBGZPJMESA-N 384.838 3.900 0 40 GHAB Cc1c(N2C(=O)[C@H](C)S[C@@H]2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 8716659 ZVFAEGAKCSDRSQ-LHSJRXKWSA-N 397.475 3.791 0 40 GHAB O=C(NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)c1ccc(F)cc1F 98212613 HEMXVTPGWLFCMK-UHFFFAOYSA-N 382.414 3.754 0 40 GHAB Cc1cc(-c2noc([C@H]3Cc4cc(Cl)ccc4O3)n2)ccc1-n1cncn1 546461103 GKZWHKZHJDBTPY-QGZVFWFLSA-N 379.807 3.955 0 40 GHAB CCc1ccccc1NC(=O)[C@H](CC)N(c1ccccc1F)S(C)(=O)=O 113967202 BBHFXUWPFFVWCL-KRWDZBQOSA-N 378.469 3.571 0 40 GHAB O=C1NC(=S)N/C1=C/c1cc(Br)c(Sc2ccccc2)o1 408998662 BRXJRQSCBJATMD-YRNVUSSQSA-N 381.276 3.539 0 40 GHAB Cc1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1Cl 223682799 LWSGINARRUJWBL-UHFFFAOYSA-N 388.961 3.745 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)cnc12 548781700 LIXDHCJIDTZVDF-NHCUHLMSSA-N 399.494 3.942 0 40 GHAB C[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccnc(O)c1 502311757 SPHGLBYXZBAQCZ-UZLBHIALSA-N 389.455 3.526 0 40 GHAB CC(C)Cn1cnc2c1C1(CCN(Cc3cnn(C)c3)CC1)Oc1ccccc1-2 306131973 KUFQAIMTWOOGOP-UHFFFAOYSA-N 391.519 3.823 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccc(C)o2)cc1 529509471 ICSVWCIGLXGVAA-ZDUSSCGKSA-N 380.448 3.769 0 40 GHAB Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 1534018178 WBPSDIUWLPFBCE-RTBURBONSA-N 386.471 3.654 0 40 GHAB Cc1ccc(OCC(=O)N2N=C3[C@H](CCC[C@H]3C)[C@]2(O)C(F)(F)F)cc1C 409179476 OVDFLCGWCNAISM-MRAWALMUSA-N 384.398 3.568 0 40 GHAB COc1ccc(C[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 71405955 HUIITDHBGGLFIT-ZDUSSCGKSA-N 381.350 3.986 0 40 GHAB CCOc1ccc(NC(=O)N2CCN(c3nc4ccccc4n3CC)CC2)cc1 33106440 RUAROZLRRJKYMB-UHFFFAOYSA-N 393.491 3.809 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1C[C@H]1c1ccco1 121787514 BWTAWYLSBSFHFG-ZIAGYGMSSA-N 380.366 3.877 0 40 GHAB CC(C)(C)c1cc(C(=O)N2CCC[C@H]([C@@H]3CC(=O)c4ccccc4O3)C2)[nH]n1 72396473 XESZOUXLLGEZCW-LIRRHRJNSA-N 381.476 3.593 0 40 GHAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)c3ccnn3C)C2)n1 72354087 LPVSTJGCMCLMJP-IBGZPJMESA-N 392.478 3.873 0 40 GHAB Cc1nc(NC(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)ccc1-c1ccccc1 564417550 DLAUVFBTJVNIDN-FXAWDEMLSA-N 391.475 3.832 0 40 GHAB Oc1nc(N2CCc3ccccc3C2)nc2ncn(-c3ccccc3)c(=S)c12 40385733 TWMDIXSDUGHONP-UHFFFAOYSA-N 387.468 3.813 0 40 GHAB Cc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C)CC2)cc1 225055535 ZTGPOXGFDJARCW-UHFFFAOYSA-N 395.528 3.759 0 40 GHAB CCOc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1COC 224690937 APSOANBIIDFPLD-JXMROGBWSA-N 394.515 3.703 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)nn2)n1 77197122 SWKMAGPZPDPKAT-UHFFFAOYSA-N 379.317 3.689 0 40 GHAB CCOC(=O)c1cccc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)c1 225561130 AVHXHFMBKBKQJG-UHFFFAOYSA-N 389.473 3.552 0 40 GHAB COC(=O)C[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1cccc(C)c1 1583083575 ALLSIVMXXIGDQG-IBGZPJMESA-N 397.862 3.868 0 40 GHAB CN(C(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccccc1 225998262 QKXOQFDOZWXHOM-UHFFFAOYSA-N 386.517 3.673 0 40 GHAB COc1cc(N2CCCC[C@@H]2C)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225957252 SWFQCKXNXVXKDY-GJZGRUSLSA-N 385.537 3.912 0 40 GHAB Cc1cnc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)nc1-c1ccccc1 578300880 OBBKHIHHKMHNLW-KBXIAJHMSA-N 377.366 3.746 0 40 GHAB CC[C@@](Br)([C@H](O)c1ccc(Cl)cc1Cl)S(C)(=O)=O 96521557 CSDPTVHMQWBXNY-MNOVXSKESA-N 376.099 3.573 0 40 GHAB Cc1nn(C)c(OC[C@H]2CCCCO2)c1C(=O)NCC1CC(c2ccccc2)C1 585080572 WMRUNCGXPCTYHD-LYBXBRPPSA-N 397.519 3.600 0 40 GHAB COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)COC(C)C)C3)c2)c1 257211176 BXTWUPJULDHBOT-KRWDZBQOSA-N 383.492 3.883 0 40 GHAB Cc1ncccc1C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 257251012 JPAMQFQTHJAEJM-UKAVVXHISA-N 378.472 3.922 0 40 GHAB CO[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 96388538 SFDXRUCLSBEXCU-OAHLLOKOSA-N 377.359 3.511 0 40 GHAB CCN(C1CCN(C(C)=O)CC1)[C@@H]1CCOC2(CCN(c3ccccc3)CC2)C1 1615154281 GQQQRMNETYUXGF-HSZRJFAPSA-N 399.579 3.537 0 40 GHAB CC(C)(C)c1ccc(OCC2CCN(C(=O)NCc3ccccc3)CC2)nn1 1775969426 QPVZTTAPUQHSEN-UHFFFAOYSA-N 382.508 3.775 0 40 GHAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)N1CCCC1 5017865 CENVFJCLDHWQLK-UHFFFAOYSA-N 393.434 3.976 0 40 GHAB O=C(Cc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 5200053 QCCVDWLOGHFDMG-UHFFFAOYSA-N 382.357 3.862 0 40 GHAB O=S(=O)(Nc1ccccc1)C(F)(F)C(F)(F)OC(Cl)(Cl)Cl 5260265 XUKSEYWJJJLKOP-UHFFFAOYSA-N 390.569 3.958 0 40 GHAB Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4ccc(F)cc4)nnc3c2c1 5577833 HLKSMSLVYLOOJT-UHFFFAOYSA-N 381.436 3.993 0 40 GHAB Cn1nc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c2ccccc2c1=O 5578874 PWJNGDMXFVTVEX-UHFFFAOYSA-N 398.394 3.588 0 40 GHAB O=C(NCC(F)(F)F)c1ccccc1NCc1nc(-c2ccsc2)no1 11703058 CEWTYBJSYYGVPK-UHFFFAOYSA-N 382.367 3.702 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)n1 12088614 SEPLTOXWCRBZIY-LJQANCHMSA-N 390.462 3.935 0 40 GHAB Cc1ccc([C@H](C)C(=O)N2CCC3(CC2)NC(=O)c2cc(Cl)ccc2N3)cc1 12146342 YFGGOEOGUASQTG-HNNXBMFYSA-N 397.906 3.926 0 40 GHAB CC(C)c1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)n1Cc1ccco1 12645311 WSOYDNPIIDEGLV-UHFFFAOYSA-N 399.520 3.840 0 40 GHAB CCOc1ccc(CCNC(=O)c2cc(O)nc3ccccc23)cc1OCC 13011200 NTMLFZQZCBGXQS-UHFFFAOYSA-N 380.444 3.710 0 40 GHAB Cc1ccc(-n2nnnc2-c2c(-c3ccc(C(F)(F)F)cc3)n[nH]c2N)cc1 16311454 ZJZOMOBHISCRAM-UHFFFAOYSA-N 385.353 3.629 0 40 GHAB CC(C)(CN1CCCCC1)NC(=O)c1cc(-c2ccncc2)c2cnccc2n1 19084919 KIZOBBMSVGMVFA-UHFFFAOYSA-N 389.503 3.686 0 40 GHAB CC(=O)N1CC[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC(C)C)C1 19212473 HDSDKIDOHRBQCM-XMMPIXPASA-N 378.516 3.968 0 40 GHAB COc1cccc(C(=O)N2CCCC[C@@H]2c2nn(C)cc2-c2ccncc2)c1 19290083 MEPRFWTXKOKVOG-HXUWFJFHSA-N 376.460 3.858 0 40 GHAB CCc1cc(C(=O)N2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)no1 19522630 LMQHEFPURXYTIF-WKPIXPDZSA-N 397.401 3.718 0 40 GHAB CCN(C(=O)Cc1cc(C)ccc1OC)[C@H]1CN(C(C)=O)C2(CCCCC2)C1 19703861 VIKGJYLEMZULJR-HXUWFJFHSA-N 386.536 3.718 0 40 GHAB O=C(c1ccccc1)N1CC[C@@H](c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1 19704427 NUAXCSMLLZZFIK-QGZVFWFLSA-N 398.470 3.595 0 40 GHAB Fc1ccc(-c2cccc(CN3CCC[C@@H](c4nnc5n4CCNC5)C3)c2)cc1 19710976 VGHJERBIUBTKBB-HXUWFJFHSA-N 391.494 3.567 0 40 GHAB CC(C)CC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643570874 VEDRCIJXSZKEKQ-UHFFFAOYSA-N 387.520 3.990 0 40 GHAB COCCC(=O)N1CCC[C@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 12220391 UUOOYFJIWVNGRE-AWEZNQCLSA-N 384.402 3.572 0 40 GHAB Cc1cccc(C)c1-n1nnnc1SCC(=O)N[C@H]1CCCc2ccccc21 5391526 FATSKLGTEFRXRW-SFHVURJKSA-N 393.516 3.565 0 40 GHAB CN(C)Cc1ccccc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 24808874 ASGBURLGHBXSKW-UHFFFAOYSA-N 378.476 3.745 0 40 GHAB Cc1cccc(CN2CCCC3(CCN(C(=O)c4cccc(F)c4)CC3)C2=O)n1 1565543141 JFUXOAVJFRGJEH-UHFFFAOYSA-N 395.478 3.574 0 40 GHAB COc1ccc(NC(=O)[C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1 1436555 CNGBATFFKANNNK-KRWDZBQOSA-N 388.467 3.971 0 40 GHAB O=C(c1ccccc1Br)N1CCN=C1SCc1cccnc1 4061166 FCTFEAZCKANXFH-UHFFFAOYSA-N 376.279 3.589 0 40 GHAB Cc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccccc4)nn23)cc1 4164656 SZYPQDLZOCAWFK-UHFFFAOYSA-N 375.457 3.831 0 40 GHAB O=C(/C=C/c1cccs1)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2 2055795877 MPAFZBQFJQRCOT-VOTSOKGWSA-N 398.503 3.942 0 40 GHAB CCOc1ccccc1NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C 22506026 GBJHCNKHLVPXPA-UHFFFAOYSA-N 389.477 3.578 0 40 GHAB O=C(NCc1cccnc1Oc1cccc(F)c1)[C@@H]1COc2ccccc2C1 40094292 CHTIRGYHCNCHLB-KRWDZBQOSA-N 378.403 3.881 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C 40103808 DRXMLFYBDIFRBO-UHFFFAOYSA-N 384.499 3.940 0 40 GHAB CC(C)[C@@H]1C[C@](CC(=O)N2CCN(C)CC2)(Cc2ccccc2Cl)CCO1 20625273 CWBQNELCQASBAE-RBBKRZOGSA-N 392.971 3.868 0 40 GHAB O=C(CCc1nc(-c2cccs2)no1)NC1CCN(Cc2ccccc2)CC1 21633813 DUZRZPHJGTXDBW-UHFFFAOYSA-N 396.516 3.512 0 40 GHAB COc1ccccc1[C@H](CNC(=O)c1c2c(nc3ccccc13)CCC2)N(C)C 32983086 LGARSTKSWWFRTO-NRFANRHFSA-N 389.499 3.765 0 40 GHAB COc1ccc(CN2C(=O)/C(=C\Nc3cc(C)on3)c3ccccc3C2=O)cc1 103049288 KILOBJDUZAEGFC-UNOMPAQXSA-N 389.411 3.627 0 40 GHAB O=C(O)[C@@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)Cc1ccc(Cl)cc1 729556 PZWGTZHCYVYLRW-RDJZCZTQSA-N 379.840 3.749 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NC)cc2c1 879555 DRWFUXJQCGZUDW-UHFFFAOYSA-N 399.491 3.572 0 40 GHAB O=C1OC(c2cccc(I)c2)=N/C1=C\c1cccc(F)c1 993551 HQECWXCHEHYWCD-ZSOIEALJSA-N 393.155 3.775 0 40 GHAB CCc1ccc2c(c1)c1nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)nc1n2C 1366162 ZGABUYRQOMVFEA-CZUORRHYSA-N 397.548 3.866 0 40 GHAB CCCCOC(=O)[C@H](C)n1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 1785027 TXTGKXFMRSDIMB-QWHCGFSZSA-N 391.537 3.908 0 40 GHAB CC1=C2C[C@@H]3[C@@H](CN(C)C[C@@H](O)c4ccc(O)cc4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4073150 DNZIKYSLYLRNLJ-HWZRGEEFSA-N 399.531 3.816 0 40 GHAB biogenic CNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 4246625 KRCHHMXOSXIBIV-UHFFFAOYSA-N 379.407 3.942 0 40 GHAB COc1ccccc1CCNC(=O)CSc1ccc(-c2ccc(C)cc2)nn1 4356108 PVDMSYNEDAAGNC-UHFFFAOYSA-N 393.512 3.912 0 40 GHAB COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2ncnn21 4373484 ORKPEUBGNFMMMU-IBGZPJMESA-N 375.432 3.523 0 40 GHAB Cc1nc(-c2ccccc2)sc1CCNS(=O)(=O)c1ccccc1F 4392347 FHCVPUHHJLHJEA-UHFFFAOYSA-N 376.478 3.779 0 40 GHAB COC(=O)c1ccc(C(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 4463165 BVPNHGUWXVWIER-AWEZNQCLSA-N 399.468 3.548 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1 4535476 AJZXSEOTPYRHHN-QGZVFWFLSA-N 380.444 3.670 0 40 GHAB CCn1c(S[C@H](C)c2ccc(F)cc2)nc2cc(S(N)(=O)=O)ccc21 5069094 INRWSWIZEQFXAU-LLVKDONJSA-N 379.482 3.696 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N 5082213 LNYGQDRJAHGAQO-UHFFFAOYSA-N 387.896 3.606 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@H]1CCCO1 5149964 MIWOZAYCQBGPTM-BEFAXECRSA-N 379.387 3.656 0 40 GHAB C[C@H](C(=O)Nc1ccc(F)cc1)n1nnc2sc(-c3ccccc3)cc2c1=O 5183307 DKHNNFINTCMMQU-GFCCVEGCSA-N 394.431 3.859 0 40 GHAB Cc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)cc1 5343188 QMOKFKDSSHXVMW-FQEVSTJZSA-N 397.862 3.590 0 40 GHAB Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5987239 DIAMMLLTKPYDKH-UHFFFAOYSA-N 381.350 3.965 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 7305489 DTWRSBQVLKSOIR-UHFFFAOYSA-N 388.272 3.585 0 40 GHAB Cc1ccc(C)c(Cn2c(CCNC(=O)CC[C@@H](C)O)nc3ccccc32)c1 7546220 AHEMBAKPEAWKHU-GOSISDBHSA-N 379.504 3.521 0 40 GHAB COc1ccccc1-c1noc(COC(=O)c2ccc3nc(C)c(C)nc3c2)n1 7558755 WWROCBYJTNIBKV-UHFFFAOYSA-N 390.399 3.662 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1SCC(=O)NCc1ccc2c(c1)OCO2 7911813 QZDITFHJQBTMKC-UHFFFAOYSA-N 395.484 3.626 0 40 GHAB O=C(NCCCNC(=O)C(c1ccccc1)c1ccccc1)c1cccs1 8402698 XICJWMSJIQVCPX-UHFFFAOYSA-N 378.497 3.816 0 40 GHAB CCCCN1C(=O)CC[C@@H](C(=O)NCc2ccco2)[C@H]1c1ccc(OC)cc1 8429034 CMRPEOXBNXOTQM-TZIWHRDSSA-N 384.476 3.684 0 40 GHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 8481138 IXCLFWQABWKGSC-KRWDZBQOSA-N 379.460 3.507 0 40 GHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21 8840542 JBRPYMAPQTTZEP-UHFFFAOYSA-N 378.881 3.830 0 40 GHAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 9173708 RWXMNCCOAYLXQE-UHFFFAOYSA-N 394.880 3.806 0 40 GHAB CCn1c(SCc2cccc(S(=O)(=O)N(C)C)c2)nc2ccccc21 9378024 XKHDYYKYIMKZSS-UHFFFAOYSA-N 375.519 3.599 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)c2cccs2)n1 9817707 QVQILFNNKZYIPJ-LBPRGKRZSA-N 383.498 3.977 0 40 GHAB Cc1cccc(N2C[C@H](C(=O)NCc3ccccc3OC(F)F)CC2=O)c1C 10115303 UVWNBDCJTJJZCS-MRXNPFEDSA-N 388.414 3.574 0 40 GHAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2Cl)c2cnn(C(C)C)c2n1 10204964 LGPBDRYKIVHCQM-UHFFFAOYSA-N 386.839 3.770 0 40 GHAB CCn1c2ccccc2c2cc(NC(=O)CNc3ccccc3C(N)=O)ccc21 10846366 YIJWJKRDYOKLMN-UHFFFAOYSA-N 386.455 3.964 0 40 GHAB Cc1cc(NC(=O)CCCNC(=O)c2cccs2)ccc1Br 10916804 HFKAKKPLSUXRKO-UHFFFAOYSA-N 381.295 3.968 0 40 GHAB CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCCCO3)sc(C)c1C 11690613 UMENKNAGHSAYPW-UHFFFAOYSA-N 375.446 3.955 0 40 GHAB Cc1cc(=O)n2c(-c3cccc(NC(=O)Cc4cccs4)c3)csc2n1 11768198 YSAXUHRPDHIZEJ-UHFFFAOYSA-N 381.482 3.974 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccsc2)c2ccccn2)cc1F 12229360 YMEHOMZZJIBEFE-QGZVFWFLSA-N 392.477 3.553 0 40 GHAB CCC(=O)Nc1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)c1 12553346 TWBWPUFPTQKGSN-MRXNPFEDSA-N 385.489 3.730 0 40 GHAB O=c1c2ccc(F)cc2ncn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 12856358 NNLRRKHSPYWZKM-UHFFFAOYSA-N 390.296 3.653 0 40 GHAB Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc3ccccc23)c1C 13057435 MFJLYDSCJACOCD-UHFFFAOYSA-N 375.472 3.966 0 40 GHAB Cc1sc2ncn(C[C@@H](O)COc3ccc(Cl)cc3Cl)c(=O)c2c1C 14246805 YZDIXDYQQLRGBL-GFCCVEGCSA-N 399.299 3.822 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN2CCc3cc(OC)c(OC)cc3C2)cc1 15293942 CZOSLUPTHFQSIM-MRXNPFEDSA-N 382.504 3.502 0 40 GHAB O=C(CSc1nnc(NCc2ccc(F)cc2)s1)N1CCCCCC1 16334403 FLJKZMAXOCMMSN-UHFFFAOYSA-N 380.514 3.784 0 40 GHAB Cc1ccc([C@H]2C[C@@]3(CC(=O)N(c4ccc(Cl)cc4)C3=O)N3CCCN23)cc1 19168240 WEWPSJPNLVNERY-KNQAVFIVSA-N 395.890 3.718 0 40 GHAB O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3cccc(F)c3)C2)no1 19293833 AOCPTEOGXJPQQM-SFHVURJKSA-N 394.450 3.518 0 40 GHAB COc1ccc([C@H](NC(=O)c2ccc(Cn3cncn3)cc2)c2ccccc2)cc1 19553355 GTWJURAIZQQBNY-HSZRJFAPSA-N 398.466 3.854 0 40 GHAB COc1cccc([C@@H]2CN(C(=O)c3ccccc3F)[C@@H]3CCCCC(=O)N[C@@H]23)c1 19712854 ZWZPJGOTNPZGPN-DWLFOUALSA-N 396.462 3.501 0 40 GHAB CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c1c1c(OC)cccc1n2CC 19957445 INCCRLPTRDIDNF-UHFFFAOYSA-N 397.862 3.809 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 20062768 NBXFYLFIJCAKFG-CQSZACIVSA-N 392.546 3.762 0 40 GHAB O=C(CSCc1cccc(Br)c1)NCCSc1ccccn1 20238283 FGJQNLBSXGRXKQ-UHFFFAOYSA-N 397.363 3.986 0 40 GHAB CC(C)(C)NC(=O)COc1ccc(CNc2ccc(C(=O)O)c(Cl)c2)cc1 20467937 KTRQYSYAPIEKRV-UHFFFAOYSA-N 390.867 3.944 0 40 GHAB CSCC[C@H](NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)O 20722414 DTJWMQSFQDPFBO-LBPRGKRZSA-N 384.910 3.708 0 40 GHAB O=C1N(Cc2ccccc2Cl)c2ccccc2[C@]12CC(O)=Nc1[nH]ncc12 20738054 CGIZCOUBPJEGQW-FQEVSTJZSA-N 378.819 3.888 0 40 GHAB CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1 22621078 QDIIAAHUUJSVAZ-FQEVSTJZSA-N 382.485 3.781 0 40 GHAB Cc1cc(C)c2nc(N(CCCN3CCOCC3)C(=O)c3ccco3)sc2c1 22997819 NURZQGXMFKCZJC-UHFFFAOYSA-N 399.516 3.875 0 40 GHAB C[C@H]1CN(C(=O)[C@H](C)OC(=O)c2ccc(-c3ccccc3Cl)o2)C[C@@H](C)O1 24222052 XTHHFPZNZVZEMS-MJBXVCDLSA-N 391.851 3.781 0 40 GHAB Cc1sc(-n2cccc2)c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1C 25154473 NCJDVLQDPGKIBN-UHFFFAOYSA-N 392.484 3.664 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 26120491 JVIDVFRJQDNTDU-HNNXBMFYSA-N 398.594 3.892 0 40 GHAB O=c1c(Cl)c(N2CCO[C@H](c3ccc(F)cc3)C2)cnn1-c1ccccc1 29528058 LFDNZVHNFNXPSD-SFHVURJKSA-N 385.826 3.603 0 40 GHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 30869473 PIVKZQKMESQDJH-LBPRGKRZSA-N 396.896 3.601 0 40 GHAB Cc1nc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)c(Cl)cc1Cl 31813588 LKDSXSBFUKTLDQ-UHFFFAOYSA-N 380.153 3.516 0 40 GHAB COc1ccc(NC(=O)C[C@H](Cc2ccc(Br)cc2)C(=O)O)cc1 35142364 NOHJINFMEWJLMB-ZDUSSCGKSA-N 392.249 3.730 0 40 GHAB CCc1ccc([C@H](CNC(=O)CCCc2nc3ccccc3[nH]2)N(C)C)cc1 40087097 FFTXWUXUXICMTB-NRFANRHFSA-N 378.520 3.867 0 40 GHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)Nc1nncs1 40105423 ZOGKFLBZFQBXII-UHFFFAOYSA-N 381.383 3.541 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)S(=O)(=O)Cc1ccccc1C(F)(F)F 40105986 GEMHHPVBFHHPKK-XJKCOSOUSA-N 391.455 3.704 0 40 GHAB Cn1ccnc1COc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 40119584 GORWULBUKIKUEQ-UHFFFAOYSA-N 375.472 3.851 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40140051 FLKIRMGJWDPFMQ-UHFFFAOYSA-N 379.370 3.768 0 40 GHAB CCC(=O)N1CCc2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc21 40144322 LTSSOQOJKYZUQA-UHFFFAOYSA-N 392.377 3.814 0 40 GHAB CCCc1c(C(=O)Nc2cccc(Cn3ccnc3)c2)[nH]c(C)c1C(=O)OC 40154020 PZSXFIJMWXHWCL-UHFFFAOYSA-N 380.448 3.559 0 40 GHAB C[C@H]1CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c2ccccc2O1 41155536 WNUCRNNBTHVERI-ZDUSSCGKSA-N 378.384 3.541 0 40 GHAB Cc1cc(NC(=O)NCCCn2ccnc2)n(-c2ccccc2C(F)(F)F)n1 43789714 MHTYILDAOXPSEK-UHFFFAOYSA-N 392.385 3.608 0 40 GHAB Cc1ccc(CSc2nnc(N)s2)c(CSc2nnc(N)s2)c1C 45222058 RUZOAMBJJMMPFO-UHFFFAOYSA-N 396.592 3.755 0 40 GHAB O=C(CSc1nc2ccccc2s1)Nc1ccc(N2CCC(O)CC2)cc1 47103465 PQEZVVOJFZUQAU-UHFFFAOYSA-N 399.541 3.988 0 40 GHAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)NC1CCC(O)CC1 47622769 PACSYZAPAQDDEI-UHFFFAOYSA-N 390.487 3.642 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)CCNC(=O)OCC(F)(F)F)ccc2o1 50030400 GSGWCFCIWQYMIV-UHFFFAOYSA-N 387.358 3.742 0 40 GHAB O=C(NCc1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 53781519 LXUPPIIYWZGKOC-UHFFFAOYSA-N 385.411 3.925 0 40 GHAB Cc1noc([C@@H]2CCCN(C(=O)C3(c4ccc(Br)cc4)CC3)C2)n1 54121162 XDMJOMZZSCBQBP-CYBMUJFWSA-N 390.281 3.578 0 40 GHAB Cc1noc([C@@H](C)NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)n1 58138909 JSFLZWGYXVIBGH-SNVBAGLBSA-N 381.392 3.590 0 40 GHAB CCNC(=O)COc1ccc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 58144787 SPYPCYSSKXSFRP-AWEZNQCLSA-N 381.432 3.830 0 40 GHAB O=c1cc(CN2CCC[C@@H]2c2cccs2)nc2ccc(Br)cn12 58169908 DPIHSKRDLATMBA-CQSZACIVSA-N 390.306 3.856 0 40 GHAB Cc1ccc(SCCC(=O)NC2CCN(Cc3ccncc3)CC2)cc1C 58496789 KFJYDCIHTMVDPE-UHFFFAOYSA-N 383.561 3.961 0 40 GHAB Cc1ccc(NC(=O)c2csc3c2CC[C@@H](C)C3)cc1NS(C)(=O)=O 60100975 RUXLBVOLRIBVHP-LLVKDONJSA-N 378.519 3.805 0 40 GHAB O=C(Nc1ccnc(Sc2ccccn2)c1)[C@@H]1CC(c2ccccc2)=NO1 60340589 FICGAJLKVOKSCR-KRWDZBQOSA-N 376.441 3.760 0 40 GHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)NC1CCN(CC(F)(F)F)CC1 65358670 FATWOOJZIDIMQD-UHFFFAOYSA-N 399.413 3.876 0 40 GHAB CCOc1ccc(N/C=C(\C(=O)OC)S(=O)(=O)c2ccc(CC)cc2)cc1 67340462 OPYIYDNTVJAKJY-XMHGGMMESA-N 389.473 3.548 0 40 GHAB CC(C)c1ccccc1NC(=O)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 70638062 FXIFUXDYLXSGEW-UHFFFAOYSA-N 390.491 3.641 0 40 GHAB COc1ccc(-c2c[nH]c3c(SCC(=O)N4CCCCC4)ncnc23)cc1 71328159 OQTUNTOPWLJCQY-UHFFFAOYSA-N 382.489 3.738 0 40 GHAB Cc1cccc(CC(=O)OCC(=O)Nc2ccc(Br)cc2F)c1 72331137 MXMYBCIPDHJIBL-UHFFFAOYSA-N 380.213 3.621 0 40 GHAB COc1ccccc1CC(=O)N1CCCC[C@H]1c1nn(C)cc1-c1ccncc1 72390619 SWHWLMFYWSVTQJ-FQEVSTJZSA-N 390.487 3.787 0 40 GHAB Cc1nccn1CCCSc1nnc(-c2ccc(Cl)cc2Cl)n1N 89735707 BNJSDALCSKIDNS-UHFFFAOYSA-N 383.308 3.653 0 40 GHAB CN(CC(=O)NCCOc1ccc(F)cc1)c1nc2c(Cl)cccc2s1 90584176 PHAXJBZMDPVABQ-UHFFFAOYSA-N 393.871 3.720 0 40 GHAB O=C(NC[C@@H]1CC=CCC1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 95461337 OVFUZBMDRHVXDN-CYBMUJFWSA-N 389.908 3.798 0 40 GHAB CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)/C=C/COCc1ccccc1 95941728 CKHJUMLEWZSRIW-XISXUPMFSA-N 381.472 3.912 0 40 GHAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)Cc1c(F)cccc1Cl 96098361 PYTWOLIPZQDWPQ-UHFFFAOYSA-N 396.871 3.509 0 40 GHAB CCN(CC)C(=O)[C@@]12C(=O)Oc3ccccc3[C@H]1[C@@]2(C)C(=O)c1ccc(F)cc1 100174806 YBDFCCFZATYMIZ-OFAXGOBFSA-N 395.430 3.586 0 40 GHAB COc1ccc(CCC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1 100750344 VGYUHDNCHVUIEE-SELNLUPBSA-N 381.520 3.645 0 40 GHAB Cc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1S(=O)(=O)N1CCCCCC1 103049238 SECMOGOIAKHRPE-LNLFQRSKSA-N 388.533 3.710 0 40 GHAB CCOC(=O)c1cc(NC(=O)c2cccc(N3CCCC3=O)c2)ccc1Cl 219214025 XWIPFMYFYZFDIL-UHFFFAOYSA-N 386.835 3.896 0 40 GHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cn1 222863078 GQOJDXXXDCBQIQ-PMACEKPBSA-N 377.517 3.958 0 40 GHAB CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCCOC(C)C)c1ccccc1 223336467 LKQCHKUANUZQLS-JOCHJYFZSA-N 382.504 3.708 0 40 GHAB Cc1cc(C)cc(CSCC(=O)NCc2ccc(CN3CCOCC3)cc2)c1 224541042 UEEMRHSKTAODRV-UHFFFAOYSA-N 398.572 3.685 0 40 GHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(CN2CCOCC2)c1 224752007 NSYFFDPABVBWNA-HSZRJFAPSA-N 396.531 3.609 0 40 GHAB Cn1c(=O)sc2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 225037596 AAVVTRGQPUDYIO-UHFFFAOYSA-N 389.285 3.708 0 40 GHAB O=C(O)[C@@H](Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1 225146316 ZKKWENPPIGGLNE-GOSISDBHSA-N 379.287 3.811 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 225184197 IOIZSAKQJXPFMU-HNNXBMFYSA-N 390.936 3.737 0 40 GHAB COc1cccc2cc(C(=O)NC[C@@H](OC)c3ccc(Cl)s3)c(=O)oc12 225703269 WVNABLWNXJSTGX-CYBMUJFWSA-N 393.848 3.634 0 40 GHAB O=C(c1csc(-c2ccccc2)n1)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 238830245 FSXPSZPRSVUEKJ-NSHDSACASA-N 394.378 3.842 0 40 GHAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2NC1=O 252488843 JAFYNTXLBAXZIX-KRWDZBQOSA-N 378.425 3.516 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCc2ccccn2)[C@@H]1c1cccc(Cl)c1 257232597 GLOHAIBMYBDPSZ-CTNGQTDRSA-N 399.922 3.736 0 40 GHAB Cc1noc(C)c1-c1nc([C@H]2CCCN(Cc3nccs3)C2)ccc1CO 257312115 UMOUWJBJIPVCAB-HNNXBMFYSA-N 384.505 3.682 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(N2CCCC[C@H]2C)n1 260739705 OLTUBNXODLFZQE-HZPDHXFCSA-N 390.601 3.787 0 40 GHAB O=C(O)CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2Cl)CC1 408605786 GSPZQILRPLGKDM-LJQANCHMSA-N 386.879 3.704 0 40 GHAB CC1CCN(c2ccccc2NC(=S)NC(=O)COc2ccccc2)CC1 408626846 IVJIEHABWPBGJD-UHFFFAOYSA-N 383.517 3.815 0 40 GHAB CCOc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1OCC 409394003 UFGWZLMXARVNOU-NDENLUEZSA-N 394.496 3.871 0 40 GHAB C[C@@]1(O)CCN(CC2CC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 514289041 FKKWNANWAJZEQW-IRFCIJBXSA-N 388.508 3.594 0 40 GHAB biogenic,in-vitro O=C(Cc1nnc(O)c2ccccc12)N1CC2(CCCC2)c2cccc(F)c21 516904173 SJKCNGZPVMZGNB-UHFFFAOYSA-N 377.419 3.876 0 40 GHAB COc1cccc(Cl)c1CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1 585080232 NJZQGAXQJFKUMS-QGZVFWFLSA-N 385.851 3.972 0 40 GHAB NC[C@@H]1CCCn2ncc(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)c21 592485564 HDQVOMTYHUAGEH-ZDUSSCGKSA-N 392.425 3.543 0 40 GHAB Cc1c(C(=O)NCc2cccc(Cl)c2)nnn1-c1cccc2cnccc12 595167680 XFAKGKJPNXUESP-UHFFFAOYSA-N 377.835 3.707 0 40 GHAB COCCc1noc(CN(C)c2oc(-c3ccccc3)nc2C(F)(F)F)n1 631164103 MPEJMHMSGACGLH-UHFFFAOYSA-N 382.342 3.569 0 40 GHAB CC(C)(NC(=O)Nc1csc(C(N)=O)c1)c1ccc(Br)cc1 1205663621 PMZPFBTYUVZYSA-UHFFFAOYSA-N 382.283 3.666 0 40 GHAB CC(C)N1CCC(N2Cc3ccccc3OC3(CCC(N(C)C)CC3)C2)CC1 1615156110 LJKBGTZRNBWZTC-UHFFFAOYSA-N 385.596 3.997 0 40 GHAB CCc1ncnc(N2CCCN(c3nc4cc(OC)ccc4s3)CC2)c1F 1888913429 AMQHNTDTHXMLLS-UHFFFAOYSA-N 387.484 3.513 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1 869713 HWIAAUVOXBOCLD-UHFFFAOYSA-N 395.196 3.720 0 40 GHAB O=C(c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CCCCCC1 3167036 DFPAOUFIAGPESL-UHFFFAOYSA-N 398.528 3.844 0 40 GHAB COc1ccc(-n2c(COc3cccc(C)c3)nnc2S[C@@H](C)C(=O)O)cc1 916902 IZZYBVMNBHVYOC-AWEZNQCLSA-N 399.472 3.729 0 40 GHAB CCN(c1cccc(C)c1)S(=O)(=O)c1cc(Br)ccc1OC 33757441 AWQWEJMBCLJKGQ-UHFFFAOYSA-N 384.295 3.981 0 40 GHAB CCOc1ccc(NC(=O)CN(C)Cc2csc(CC)n2)cc1OCC 24372947 QIHHJEYFQQRPBV-UHFFFAOYSA-N 377.510 3.573 0 40 GHAB CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1 4898428 FOIDMKYYFITTCF-INIZCTEOSA-N 381.476 3.531 0 40 GHAB Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2ccco2)cc1 4964652 MUNMMZHOFHXGEQ-QGZVFWFLSA-N 398.488 3.742 0 40 GHAB CCN(CC)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 4995572 COWCKXJTSDPLSA-UHFFFAOYSA-N 394.924 3.712 0 40 GHAB O=C(O)c1c(-c2nccc3ccccc23)[nH]c(-c2ccccc2)c1S(=O)(=O)O 6468739 OYQDWWBFWUOBQY-UHFFFAOYSA-N 394.408 3.842 0 40 GHAB in-vitro CCC[C@H](C)NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 6946983 NJEZESOHMIWIRV-KRWDZBQOSA-N 388.533 3.880 0 40 GHAB COc1ccccc1C[C@H]1SC(=O)N(CCOc2ccc(F)cc2)C1=O 8169199 CKMVOWMYGWUFIS-QGZVFWFLSA-N 375.421 3.520 0 40 GHAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCCCC1 10041642 WKVIGJZENLJRLF-FXAWDEMLSA-N 394.581 3.917 0 40 GHAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cc(C)cc(C)c1 10119825 LMMPNYXVFZUPQI-UHFFFAOYSA-N 379.445 3.731 0 40 GHAB CCN(CC)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(C)cc1 10327017 BBPFUKAFKCFXGX-MRXNPFEDSA-N 386.517 3.617 0 40 GHAB Cc1cc(C)cc(-n2c(SCC(=O)N3CCCC3)nc3ccsc3c2=O)c1 57488173 HEBDGCDAINMZLT-UHFFFAOYSA-N 399.541 3.779 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OC 12602354 QTVBCMDOCUIRCN-KSEUIEODSA-N 377.444 3.957 0 40 GHAB COc1ccccc1/C=C(/C(=O)NC[C@@H](C)CN1CCCC1=O)c1ccccc1 58061232 ZKTUFAAWNNEFLP-ISPGYRLHSA-N 392.499 3.611 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2O)CC1 58159108 YEAYVWVNZDUQET-ZDUSSCGKSA-N 394.302 3.848 0 40 GHAB COC(=O)c1c(NC(=O)c2cc(-c3ccc(OC)cc3)on2)sc2c1CCC2 27749665 QPYZYYSLUYNAPE-UHFFFAOYSA-N 398.440 3.939 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 12749749 LRQGIULQFXMXGA-QXAKKESOSA-N 392.565 3.806 0 40 GHAB CC(C)[C@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 12785957 POKBRWPJRQRDNJ-OFNKIYASSA-N 393.531 3.851 0 40 GHAB O=C(O)c1cc(F)ccc1NS(=O)(=O)c1csc(-c2ccc(F)cc2)n1 58378191 DYEYATJEECGIBT-UHFFFAOYSA-N 396.396 3.587 0 40 GHAB O=C1N(CN(C2CCCC2)C2CC2)C(O)=N[C@@]1(c1ccccc1)C(F)(F)F 58305220 DWRVTUMOTMLCTH-GOSISDBHSA-N 381.398 3.565 0 40 GHAB O=C(OCC(=O)N1CCC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3339865 GOOZUENUFWRGDB-UHFFFAOYSA-N 380.831 3.944 0 40 GHAB COc1ccc(CN(C)C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 21734507 NRAKCOBDILQIQG-UHFFFAOYSA-N 382.243 3.817 0 40 GHAB COc1ccc(CCNC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1OC 12808469 LCYRJCKTVKNCAW-UHFFFAOYSA-N 382.460 3.736 0 40 GHAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCOc2ccccc2F)C1=O 2618617 MLHGEPJQBYUOEM-SFHVURJKSA-N 397.233 3.979 0 40 GHAB COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(Br)cc1F 25193533 PBSKJZJYWYNUEM-UHFFFAOYSA-N 392.224 3.968 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc3cc(Cl)ccc3s2)C1 3515360 VLBRSOAZGFIFKU-NSHDSACASA-N 398.937 3.844 0 40 GHAB O=C(CCN1C(=O)COc2ccccc21)Nc1nc(-c2ccc(F)cc2)cs1 12980431 BSYLHBKPQYAGPF-UHFFFAOYSA-N 397.431 3.703 0 40 GHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)NC1CCCCC1 12921210 NUNKFVUZWVPWOR-UHFFFAOYSA-N 386.323 3.703 0 40 GHAB CCc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc(OC)cc1 4034640 BAGIORKCDNMTEY-UHFFFAOYSA-N 380.835 3.796 0 40 GHAB Cc1nn(C[C@H](O)Cn2c(C)c(C)c3ccccc32)c(C)c1Br 4139201 GAGJAHQNKGFUGK-OAHLLOKOSA-N 376.298 3.895 0 40 GHAB CSCc1nc2ccccc2n1CC(=O)Nc1nc2c(s1)C(=O)CCC2 60362037 ROLVNFCYPVXWHT-UHFFFAOYSA-N 386.502 3.514 0 40 GHAB CCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCC(C)C)cc1 6203971 CMIHLYKDXHOJOW-GOSISDBHSA-N 376.522 3.858 0 40 GHAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccccc2)c1 6316902 FEOOOEJNEPYTBK-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB CCNC(=O)NC(=O)[C@H](Sc1ccc2c(c1)OCCCO2)c1ccccc1 5365903 IQQQEKIXDQQBOP-GOSISDBHSA-N 386.473 3.527 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(C)cc2C)cc1 14187642 SGBAJLZDUUMOHA-UHFFFAOYSA-N 388.533 3.606 0 40 GHAB COc1cc(OC)cc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C(C)C)c1 9281422 URHPJUMNTGSUQG-UHFFFAOYSA-N 380.444 3.596 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2cc(SC)ccc2Cl)c(OC)c1 6581466 YSOKLBMBRIVJOT-UHFFFAOYSA-N 395.864 3.875 0 40 GHAB Cc1ccccc1-c1noc(CN([C@@H]2CCCc3ccccc32)S(C)(=O)=O)n1 6669761 GKDKYXMIPQJIDO-LJQANCHMSA-N 397.500 3.884 0 40 GHAB Cc1ccc2cc(COC(=O)CN3C(=O)c4ccccc4C3=O)c(Cl)nc2c1 6933000 ZUCRAIUHDBVPLH-UHFFFAOYSA-N 394.814 3.536 0 40 GHAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 15595989 LSSZQEZKVAVPRD-OAHLLOKOSA-N 388.423 3.909 0 40 GHAB Cc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c(C)n1C1CC1 7575493 FVWDDAUQRQXIFW-UHFFFAOYSA-N 392.358 3.557 0 40 GHAB CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)ccc21 26327445 CKMVYDUHIZFLLM-HXUWFJFHSA-N 399.516 3.567 0 40 GHAB COc1ccc(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 95428016 KGURHYNVRCVWBK-KRWDZBQOSA-N 397.855 3.524 0 40 GHAB Cc1cc(C2=NN=C(NC[C@H]3CCCO3)SC2)c(C)n1Cc1cccs1 7849075 IXPBXSTYRNSSCO-OAHLLOKOSA-N 388.562 3.790 0 40 GHAB COc1cccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 8041767 UZKSPOKUTLXLGC-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB Cc1ccc(C(=O)Nn2c(=S)[nH]c3sc4c(c3c2=O)CC[C@@H](C)C4)s1 17080013 AUKAFKRMMXPSFT-MRVPVSSYSA-N 391.543 3.999 0 40 GHAB CN(Cc1nc(-c2ccccn2)no1)Cc1cc(Br)ccc1F 69518773 URBSOBNIUMKQKG-UHFFFAOYSA-N 377.217 3.665 0 40 GHAB O=C1C[C@@H](c2nc(-c3ccc(Cl)cc3)no2)CN1c1ccc2c(c1)OCCO2 8605275 IWAFOYDGNZSJBB-CYBMUJFWSA-N 397.818 3.682 0 40 GHAB COc1ccc2c(ccn2CCNC(=O)Cn2cc(C(C)=O)c3ccccc32)c1 70666575 LBGZLDNQCNZLAM-UHFFFAOYSA-N 389.455 3.624 0 40 GHAB biogenic Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NO[C@@H]1CCCCO1 72058897 XAALJXFWRLVPSB-GOSISDBHSA-N 398.290 3.913 0 40 GHAB Cn1cc(-c2nc(C(=O)O[C@H](c3ccccc3)c3ccccn3)cs2)cn1 89756602 ZUMMELXVFOIMHM-GOSISDBHSA-N 376.441 3.885 0 40 GHAB Cn1cc(CN2CCC[C@H](c3nc4ccc(-c5cccs5)cn4n3)C2)cn1 306134856 NZXAOSXIHIAFHP-KRWDZBQOSA-N 378.505 3.571 0 40 GHAB C[C@H]1CCCc2ccccc2[C@H]1NC(=O)Cn1cc(C(N)=O)c2ccccc21 545905549 UWXFYWDNGWELKG-NYHFZMIOSA-N 375.472 3.570 0 40 GHAB O=C(Nc1ccccc1)NC1(C(=O)Nc2ccc3c(c2)OCCO3)CCCCC1 35290988 QVTXOVXWMIKKIL-UHFFFAOYSA-N 395.459 3.921 0 40 GHAB COc1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1Cl 30291279 CQTISTXVPBGYCD-UHFFFAOYSA-N 379.787 3.846 0 40 GHAB Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359687 HDENPYVKHALTLB-HNNXBMFYSA-N 381.867 3.848 0 40 GHAB O=C(C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 39964107 OEBJGSYAZKEWQR-KRWDZBQOSA-N 380.835 3.769 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1cccs1 56945562 FBMXGNZSVUGCAB-SFHVURJKSA-N 399.491 3.774 0 40 GHAB COc1cccc(CN2CCC[C@H]2c2cncc(Nc3nnc(C)s3)n2)c1 72376263 KDPOIENDKCTDPD-KRWDZBQOSA-N 382.493 3.726 0 40 GHAB CCc1ccc(-c2cc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)[nH]n2)cc1 71289314 KFDKEJAJHGIWNU-UHFFFAOYSA-N 398.507 3.768 0 40 GHAB CC(C)(C)C(=O)N1CCOC[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1 72322187 YVYQCAMZBLJXKI-HNNXBMFYSA-N 397.397 3.921 0 40 GHAB biogenic,in-vitro CC[C@H](NC(=O)CCCN(c1ccccc1)S(C)(=O)=O)c1ccc(C)cc1 219171749 YZGNWFXJDVZSBX-FQEVSTJZSA-N 388.533 3.809 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72345987 TTXCXQBPEJOERW-GOSISDBHSA-N 390.462 3.814 0 40 GHAB CCc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 224522354 FWNYFNPROASGTP-LBPRGKRZSA-N 380.897 3.765 0 40 GHAB C[C@H](O)c1ccc(C2(CNS(=O)(=O)c3ccccc3F)CCCC2)s1 225683638 JUPSRHARXZZYTR-ZDUSSCGKSA-N 383.510 3.731 0 40 GHAB O=C(NC1CCCCCC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 40068773 XUAQNXHEAAFZHZ-CYBMUJFWSA-N 379.298 3.641 0 40 GHAB Cc1nc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc(C(F)(F)F)n1 225732450 BCEDXWWUEZHOJZ-UHFFFAOYSA-N 390.365 3.512 0 40 GHAB CC[C@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccccc1OC 40133739 VKCANAUHGLRZIF-ZBFHGGJFSA-N 388.899 3.623 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 224593068 DMCGHMJYVLVCHM-QFIPXVFZSA-N 396.531 3.953 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 224702657 BXZMQSZELSLPPL-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB CCCC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC(C)(C)C 224120936 MQXBPAVTXMPFNY-ZDUSSCGKSA-N 383.330 3.881 0 40 GHAB COc1ccc2nc(C)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2c1 198235192 TVKGFLJXXIXJFW-UHFFFAOYSA-N 379.435 3.653 0 40 GHAB Cc1ccc(C(=O)N2C[C@H](C(=O)Nc3ccccc3)C3(CCOCC3)C2)cc1 96078676 NNEYCRYXZCPVAH-HXUWFJFHSA-N 378.472 3.503 0 40 GHAB COc1ccc(-c2cc(N3CCCN(C(=O)c4ccc(C)cc4)CC3)[nH]n2)cc1 98211643 GFTXXAISLLWBGM-UHFFFAOYSA-N 390.487 3.746 0 40 GHAB Cc1c(CCC(=O)N2CCOCC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 94993057 LQDQFQYFKOJFKH-UHFFFAOYSA-N 395.455 3.518 0 40 GHAB CC1(C(=O)NC[C@@H](O)c2cccc(Cl)c2)CCN(Cc2ccccc2)CC1 585080233 NLZVFGCBVZVEQX-HXUWFJFHSA-N 386.923 3.792 0 40 GHAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21)NC1CCC1 96242138 MRQNOZOBSSDFNU-SFHVURJKSA-N 392.499 4.000 0 40 GHAB O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cccc2c1CCC2 588807299 CNANRTFPMBYPIM-OAQYLSRUSA-N 384.907 3.632 0 40 GHAB O=C([C@@H]1Cc2ccccc2S1)N1CCN(Cc2cc3ccccc3[nH]2)CC1 629384632 AYBSLZUTJUVSAT-NRFANRHFSA-N 377.513 3.529 0 40 GHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)[C@@H]1CCCc2sccc21 644888381 BYRHPPZZAFJHID-OAHLLOKOSA-N 386.908 3.965 0 40 GHAB Cn1cc([C@@H]2CCCN(C(=O)CCc3ccccc3Br)C2)cn1 681289119 KYBBTCLBZHRNOM-OAHLLOKOSA-N 376.298 3.521 0 40 GHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3cccc4cccnc34)C2)cc1 1615191553 RQJULTXUXQSRDU-QHCPKHFHSA-N 376.456 3.589 0 40 GHAB CC1(C)C[C@]2(CCCN2C(=O)c2cnn3cccnc23)CN1c1ccc(F)cc1 1615117730 CAEAOQIQWQRWCE-JOCHJYFZSA-N 393.466 3.532 0 40 GHAB COCCN1C(=O)S/C(=C/c2cccc(OCCOc3ccccc3)c2)C1=O 8104494 QIZQUPVGJNKDMH-XDJHFCHBSA-N 399.468 3.827 0 40 GHAB CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)C1 5234907 UFIYWUYYLFQPKA-LRTDBIEQSA-N 384.501 3.995 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)Cn1cccc2cc(C3CCNCC3)nc1-2 12220692 VUMQPUYAVXXSNW-SFHVURJKSA-N 390.531 3.592 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2cc(F)cc(F)c2)c(OC)c1 12806951 SWJZZBJGXOIBET-GOSISDBHSA-N 376.403 3.758 0 40 GHAB COc1ccc(CCN(C)C(=O)c2c(C)nn(CC(C)C)c2Cl)cc1OC 13022786 GIGLSLZPGJFMNL-UHFFFAOYSA-N 393.915 3.833 0 40 GHAB CC[C@H](C(=O)Nc1cccc(Cl)c1C)N(c1ccccc1)S(C)(=O)=O 13711256 FNROYACPSUKIAE-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB Cc1cc(C)cc(Nc2nc(NC[C@H](C)O)nc3c2cnn3-c2ccccc2)c1 17010852 GPYOBZHXHGGWBE-INIZCTEOSA-N 388.475 3.969 0 40 GHAB NC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CCCCC2)C1 19348398 SZDMRHYONDGPRL-XMMPIXPASA-N 391.515 3.575 0 40 GHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N[C@@H](C)Cc3ccccn3)cc2N1 19451162 KVVLHVABVJRWJD-DUVNUKRYSA-N 395.429 3.583 0 40 GHAB CCCN1CCN(CC2CC2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19502827 NVFKXXMNUVUWOC-HSZRJFAPSA-N 377.532 3.872 0 40 GHAB CCOc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccc(C)cn2)cc1OC 12135253 DSBVCLOLLCTKHF-VXMMSVGHSA-N 396.531 3.917 0 40 GHAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)C1(c2cccs2)CCCC1 252497989 QTEFVSRPQUTXTM-UHFFFAOYSA-N 388.512 3.522 0 40 GHAB CC(=O)O[C@@H]1C=C(C(=O)O)[C@]2(CO)CC[C@H](C)[C@@](C)(CCc3ccoc3)[C@H]2C1 252505837 NRNSOEIINXSQRA-QFBIBXIDSA-N 390.476 3.590 0 40 GHAB biogenic,in-vitro Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 5679637 USIBCFJNZYKBJJ-NRFANRHFSA-N 393.468 3.504 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CCC(=O)c2ccc(F)cc2)c1 5654771 BKVNJOYZULJOPU-AWEZNQCLSA-N 385.391 3.562 0 40 GHAB O=c1c2ccccc2ncn1CC1CCN(Cc2ccnc3ccccc23)CC1 1888978162 MNFSOSGSPWXSIH-UHFFFAOYSA-N 384.483 3.857 0 40 GHAB CC(C)COc1ccc(S(=O)(=O)Nc2cccc(-c3cccnc3)n2)cc1 1124056236 GRNIBGBBEJSAOH-UHFFFAOYSA-N 383.473 3.979 0 40 GHAB O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)N1CCc2ccccc21 4356618 AHVIBHGRRPQPFX-UHFFFAOYSA-N 391.452 3.554 0 40 GHAB Cc1cc(C)c2nc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)sc2c1 4496263 XREYPEZPRPHHBN-UHFFFAOYSA-N 392.477 3.855 0 40 GHAB COc1ccc(C(=S)N2CCN(C(=S)c3c[nH]c4ccccc34)CC2)cc1 5043708 KWBXRJOASGWWNT-UHFFFAOYSA-N 395.553 3.845 0 40 GHAB COc1ccc(C2(CNC(=O)C(=O)Nc3ccccc3Cl)CCCC2)cc1 21691480 QCACRVIONVHUSG-UHFFFAOYSA-N 386.879 3.915 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H](c3cccs3)CC2)cc1 219540598 CYYLXWJGDCNNSH-QGZVFWFLSA-N 396.559 3.575 0 40 GHAB Cc1ccccc1NC(=O)[C@H]1C(=O)N[C@]23CCCC[C@H]2[C@H]1c1ccccc1O3 5752862 SJGLYUNTUZHSCL-BOWONNERSA-N 376.456 3.742 0 40 GHAB biogenic CCCn1c(O)c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)c2ccccc21 5904464 GRXWVCPLEUJQJE-UHFFFAOYSA-N 394.427 3.546 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1)c1ccccc1 40049323 QGJOYBUBISGHDB-OAQYLSRUSA-N 384.439 3.543 0 40 GHAB COc1ccccc1NC(=O)[C@H]1CC(O)=Nc2c(-c3ccccc3OC)cnn21 32091525 QAKFXZNCDBVKKX-MRXNPFEDSA-N 392.415 3.739 0 40 GHAB Cc1nc(NC(=O)c2ccc3c(c2)CCO3)sc1Cc1ccc2c(c1)OCO2 32796019 DYDOYDUGZZOOTR-UHFFFAOYSA-N 394.452 3.958 0 40 GHAB O=C(NCCCCOc1ccc(Cl)cc1)NCc1ccc(-n2cccn2)nc1 32795251 SNKDASYPKMQVPF-UHFFFAOYSA-N 399.882 3.579 0 40 GHAB Cc1cc(OCCOC(=O)C2CCN(C(=O)NC(C)C)CC2)ccc1C(C)C 32933320 FMXUBXVROIIIAW-UHFFFAOYSA-N 390.524 3.870 0 40 GHAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc4c(c3)CCC(=O)N4)c2C)cc1 33066371 JJSSFTILZYOQNF-UHFFFAOYSA-N 388.471 3.994 0 40 GHAB Cc1cc(C)cc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@H]3c2cccs2)c1 102820920 QWAVXRGHGOTGSA-INIZCTEOSA-N 394.456 3.797 0 40 GHAB COC(=O)C[C@H](NC(=O)Cc1coc2cc(OC)ccc12)c1ccc(F)cc1 52867508 PVSVXEJJMMZHEY-SFHVURJKSA-N 385.391 3.544 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2cc(Cl)cn2C)c(Br)c1 22002953 IZBDRHDIZYEWIY-UHFFFAOYSA-N 385.645 3.545 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2N)c1 686806 KKXKDSTWBMVCDV-UHFFFAOYSA-N 389.484 3.851 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 104201267 OQOJCBLAOBSUOK-QXRTWZOPSA-N 382.460 3.748 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1ccccc1Br)CC2 869231 VQDHBVNTWRJPHG-UHFFFAOYSA-N 376.250 3.665 0 40 GHAB Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCCC3)c(=O)[nH]c12 889292 QQTCQHZPVPLCIN-FQEVSTJZSA-N 392.507 3.513 0 40 GHAB CC(C)C(=O)Nc1nc2ccc(S(=O)(=O)NC3CCCCC3)cc2s1 937609 RSBINFWCNUYTGE-UHFFFAOYSA-N 381.523 3.502 0 40 GHAB CC(C)COC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 938354 KTIJLIAGJJZOEJ-ZDUSSCGKSA-N 376.522 3.808 0 40 GHAB CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@H]1c1ccc(C)cc1 970897 BIJHWSWADIQAEC-FQEVSTJZSA-N 392.480 3.956 0 40 GHAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc2c(c1)OCO2 1105360 KNALSJYZXMZUGK-UHFFFAOYSA-N 376.347 3.541 0 40 GHAB CCOC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccccc1OC 1221447 LICUUNCYWGRIJP-CQSZACIVSA-N 383.473 3.987 0 40 GHAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)NCc1ccccc1)c1ccccc1 1377997 UGADSFKSGRBVIL-SFTDATJTSA-N 377.488 3.712 0 40 GHAB O=C(COc1ccc(Cl)cc1)Nc1ccc2ccccc2c1S(=O)(=O)O 1732181 ZBBHXGGDKJFSCI-UHFFFAOYSA-N 391.832 3.757 0 40 GHAB CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)c12 2149430 GRTVGIOFQLQUFJ-CQSZACIVSA-N 389.448 3.873 0 40 GHAB biogenic NC(=O)c1ccccc1NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 2419309 ASUGPWBIUWVFFU-UHFFFAOYSA-N 384.391 3.811 0 40 GHAB COCCCn1c(S)nnc1-c1ccc(COc2ccc(C(=O)O)cc2)cc1 2809149 PRIATIOALCAENS-UHFFFAOYSA-N 399.472 3.548 0 40 GHAB COc1ccc(CCNC(=O)CSCc2ccc(Cl)cc2)cc1OC 3237297 LPSIRPLIPJTUSB-UHFFFAOYSA-N 379.909 3.949 0 40 GHAB O=C(NCC(=O)N1CCc2ccccc2C1)c1ccc(Oc2ccccc2)cc1 3405673 HQLQREYQMQXZTJ-UHFFFAOYSA-N 386.451 3.794 0 40 GHAB NC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCCC2 4070211 YRFODQHQGYADSI-UHFFFAOYSA-N 385.308 3.802 0 40 GHAB CN(C)c1ccc([P@@](=O)(OCc2ccccc2)[C@@H](O)c2cccnc2)cc1 4325426 XPKUQUNAYWMZOV-JIPXPUAJSA-N 382.400 3.959 0 40 GHAB CSc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374319 KQCMSPSSWZIHAO-CYBMUJFWSA-N 375.881 3.989 0 40 GHAB Cc1ccc2oc(=O)c(S(=O)(=O)c3ccc(Br)cc3)cc2c1 4484137 KVGRQMSSSIBPRD-UHFFFAOYSA-N 379.231 3.697 0 40 GHAB CCCc1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)n1-n1cccc1 4518534 GLWRGYOUFLRKCD-UHFFFAOYSA-N 383.521 4.000 0 40 GHAB CCc1nc2sc([C@H](c3ccco3)N3CCc4ccccc4C3)c(O)n2n1 4585117 GQBZUBNNONTGDU-KRWDZBQOSA-N 380.473 3.800 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccc[nH]1 4984278 QHBAKDFOKPGUDK-UHFFFAOYSA-N 375.457 3.692 0 40 GHAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc(Cl)c3)n2)cc1OC 4998133 GLJSDNARDXPOBA-LLVKDONJSA-N 387.823 3.898 0 40 GHAB Cc1ccc(C(=O)N2CCCc3ccccc32)cc1N1CCCCS1(=O)=O 5439636 BOUWBRZTWSZSNG-UHFFFAOYSA-N 384.501 3.518 0 40 GHAB COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1c(F)cccc1F)CC2 5450930 ANVLZTNGZGESTE-LBPRGKRZSA-N 376.403 3.540 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c1C 5859372 ZAANXHFZJYWLGC-UHFFFAOYSA-N 396.487 3.513 0 40 GHAB O=C(C[C@@H](NCCc1ccccc1)C(=O)O)Nc1ccc(Cl)c(Cl)c1 6061110 HSPHFNAZCYQVDP-MRXNPFEDSA-N 381.259 3.608 0 40 GHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc2c1OCCO2 7112999 XMFCADDIQMGTKE-OAQYLSRUSA-N 392.411 3.826 0 40 GHAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 7361056 FZSOIVHQNNKALZ-UHFFFAOYSA-N 377.462 3.714 0 40 GHAB Cc1nc(NCC(=O)NCc2ccco2)c2c(-c3ccccc3)csc2n1 8156694 BUMYLYBIQOANQS-UHFFFAOYSA-N 378.457 3.988 0 40 GHAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1C 9191881 QPACIAKQRIDVNB-UHFFFAOYSA-N 396.468 3.948 0 40 GHAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(F)cccc3s2)n(C)n1 9200319 AOXABMHEVNUPCO-UHFFFAOYSA-N 381.436 3.719 0 40 GHAB COCCNc1nc(Nc2cccc(OC)c2)c2cnn(-c3ccccc3)c2n1 9573607 VMIAWLIGMGPNGS-UHFFFAOYSA-N 390.447 3.626 0 40 GHAB Cc1cc(C)cc(Nc2nc(NC3CCCCC3)nc(N3CCOCC3)n2)c1 9708954 DQODAUWXHOQZIK-UHFFFAOYSA-N 382.512 3.813 0 40 GHAB Cc1ccc(N(CCCC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1C 10362093 BAZPDUAIRZGPBV-UHFFFAOYSA-N 382.570 3.646 0 40 GHAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)n1 11443387 UTTFHOXMHQFTBI-SNVBAGLBSA-N 381.885 3.504 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(=O)n(Cc2cccc(F)c2)n1 11781445 MGNRDXBKZVNSSA-UHFFFAOYSA-N 392.217 3.990 0 40 GHAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)cc1 12161481 HEUGLDBSXOLDLJ-LJQANCHMSA-N 378.476 3.656 0 40 GHAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc[nH]3)c3c(C)noc3n2)cc1 12177491 XFOSSPVEOXJCPL-UHFFFAOYSA-N 375.384 3.874 0 40 GHAB COc1ccc(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)cc1OC 12414705 JVQLMJNEWIHXPC-UHFFFAOYSA-N 392.459 3.502 0 40 GHAB CCOc1ccccc1N1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 12589906 KXIAZTRPHHOHIJ-HSZRJFAPSA-N 393.531 3.571 0 40 GHAB O=S(=O)(c1ccc(SCc2ccc(F)cc2Cl)nc1)N1CCCC1 12642439 UHUTVVSDVGWHET-UHFFFAOYSA-N 386.901 3.951 0 40 GHAB Cc1cc(C)cc(C(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)c1 12651792 GIQHVFLEACPTIT-UHFFFAOYSA-N 377.473 3.708 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 12756773 YLSGMJZIEQVVCE-MGPUTAFESA-N 386.467 3.857 0 40 GHAB C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC(C(=O)NCc2ccccc2)CC1 12800626 ZJVIZTCUNMPFNQ-MRXNPFEDSA-N 399.922 3.695 0 40 GHAB CCc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 12899734 CBLBZOGGZQWNMH-CQSZACIVSA-N 398.937 3.756 0 40 GHAB Brc1ccccc1-c1nnc(COc2ccc3c(c2)OCO3)o1 14085361 ZZYRXOSBHLZWLQ-UHFFFAOYSA-N 375.178 3.807 0 40 GHAB CC(C)NCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 14114392 XOTCFNLRPYREDP-UHFFFAOYSA-N 379.382 3.894 0 40 GHAB biogenic CSc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)NC2CCCCC2)cc1 14167718 RDZCRWCZQCUJSK-CQSZACIVSA-N 377.506 3.752 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 14573705 SOACCWQJQOIBPX-QGZVFWFLSA-N 386.517 3.579 0 40 GHAB O=C(CSc1cccc2cccnc12)N1CCN(c2ccc(F)cc2)CC1 16448826 NSUOPJFFGFWUNZ-UHFFFAOYSA-N 381.476 3.815 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccccc2F)C1=O 16682167 MQVLUYIRNWCZDK-IEMQHYRPSA-N 388.420 3.604 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(O)cc1)N(C[C@@H]1CCCO1)C3=O 16741803 CHBFSNIWHLXWAH-JXFKEZNVSA-N 391.423 3.531 0 40 GHAB Cc1cnc(-c2nnc(C3CCN(C(=O)c4csc(C)c4C)CC3)o2)cn1 19239249 SPDRDDOACMAMOY-UHFFFAOYSA-N 383.477 3.533 0 40 GHAB Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2ccccc2)c1C 19558510 GFKFBUTZJPMVDO-GOSISDBHSA-N 391.475 3.792 0 40 GHAB COc1cc(C2=N/C(=C\c3c(C)[nH]c4ccccc34)C(=O)O2)cc(OC)c1OC 19790597 HTIUYALRLWGOHA-BOPFTXTBSA-N 392.411 3.847 0 40 GHAB CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4ccco4)sc3C)cc21 19796527 KAOOAHUAUDIRFU-UHFFFAOYSA-N 383.429 3.709 0 40 GHAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccccc1F 20610978 JHMDIOFNPKOADA-UHFFFAOYSA-N 376.391 3.886 0 40 GHAB COc1cc(C(=O)N2CCCC[C@H]2CCN2CCCCC2)cc(OC)c1OC 21170464 AHYSEOYQNHTYIK-SFHVURJKSA-N 390.524 3.583 0 40 GHAB C[C@@H]1CN(C(C)(C)CNc2nc(-c3cccnc3)nc3ccccc23)C[C@@H](C)O1 22358672 AJMSMJPUCKYWGA-IAGOWNOFSA-N 391.519 3.992 0 40 GHAB CCOc1ccc(-c2noc(CS(=O)(=O)c3ccc(Cl)s3)n2)cc1 23126420 CFZSASXEACDKGH-UHFFFAOYSA-N 384.866 3.824 0 40 GHAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24300228 GCJXNUBIIPNZGV-UHFFFAOYSA-N 391.298 3.886 0 40 GHAB Cc1c(C(=O)NC[C@H](c2ccccc2)N(C)C)cnn1-c1cccc(Cl)c1 24543992 HYPSIHOPAAOHPX-HXUWFJFHSA-N 382.895 3.867 0 40 GHAB COCc1c(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)oc2ccccc12 25918765 JECLSCHMMBMJDX-HNNXBMFYSA-N 390.443 3.993 0 40 GHAB Cc1c(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)cnn1-c1ccccc1F 26486112 TVXRHQLGXHUQRE-HNNXBMFYSA-N 381.407 3.528 0 40 GHAB O=S(=O)(Cc1ccccc1)Nc1ccc(-n2cc(Br)cn2)cc1 27918194 WIWVLEVRAIHEDW-UHFFFAOYSA-N 392.278 3.577 0 40 GHAB COc1ccc(F)cc1CN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 30226995 WOMCYFFQZLYIHF-UHFFFAOYSA-N 380.822 3.585 0 40 GHAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 32754454 PLQVQGUKVKTJDT-KRWDZBQOSA-N 393.487 3.901 0 40 GHAB CS(=O)(=O)c1ccc(Nc2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1 35596770 CHXOOUAJFWOGNU-UHFFFAOYSA-N 391.449 3.682 0 40 GHAB COc1ccc(Cl)cc1-n1cnc2cc(C(=O)N3CCCCC3)ccc2c1=O 36360488 TZYBFOHYRVELQG-UHFFFAOYSA-N 397.862 3.674 0 40 GHAB COc1ccccc1N1C(=O)S/C(=C\c2cc(OC)c(O)c(OC)c2)C1=O 39857518 LXJOJZCDTQZPRX-YBEGLDIGSA-N 387.413 3.659 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1cc(C2CC2)nc2onc(C)c12)c1ccc(C)cc1 40024962 WSNDURLWBYRCBI-GOSISDBHSA-N 393.443 3.751 0 40 GHAB Cc1cccc(OCCNC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 40068858 YXPBXRNXEZGMQE-MRXNPFEDSA-N 381.476 3.783 0 40 GHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(F)cc2)n2ncnc2N1 40484552 FUIVNXRLUQUCIA-QGZVFWFLSA-N 383.814 3.998 0 40 GHAB Cc1ccc(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cc1S(C)(=O)=O 44506882 FASCOFIXILMRTD-KSSFIOAISA-N 387.501 3.920 0 40 GHAB C[C@@H]1CN(c2ccc(CNC(=O)CCCc3ccc(Cl)cc3)cn2)CCO1 44552983 HCNDZHTVSQDZSH-MRXNPFEDSA-N 387.911 3.599 0 40 GHAB CCC(C)(C)NC(=O)Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O 44712010 HDXWQQRLIFKKQQ-UHFFFAOYSA-N 385.414 3.647 0 40 GHAB O=C(CSc1ccc(Br)cn1)Nc1ccc2c(c1)OCCCO2 45025853 AHGPTECDFRVOAS-UHFFFAOYSA-N 395.278 3.736 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N2CCC(NC(=O)OC(C)(C)C)CC2)c(C)c1 47539705 VMFUAAZCZUIOGG-INIZCTEOSA-N 375.513 3.620 0 40 GHAB COc1ccc2[nH]cc(C3=CCN(CC(=O)N(C)Cc4ccccc4)CC3)c2c1 53055545 YQRPHYISISDBAU-UHFFFAOYSA-N 389.499 3.924 0 40 GHAB C[C@H](C(=O)NCc1ccccc1CN1CCCCC1)N1CCc2ccccc21 57992272 DJHJYBAYVINAGR-LJQANCHMSA-N 377.532 3.740 0 40 GHAB CCOc1ccccc1C(=O)Nc1ccc(I)c(C)n1 67321429 DCZBPMQJBZRRDY-UHFFFAOYSA-N 382.201 3.646 0 40 GHAB O=C(OC1CCCCCC1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 67799945 BTZHVPKRSYINKM-RBUKOAKNSA-N 382.460 3.526 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)c1C 68342977 JRYXQWYYUHOGTN-KRWDZBQOSA-N 399.516 3.605 0 40 GHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)[C@@H]2COc3ccccc3O2)C1 77200191 WXLLVNYBSGRUEV-QKLQHJQFSA-N 396.443 3.503 0 40 GHAB Cc1noc(C)c1CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 78994198 LKWHNJSOMCRHLV-UHFFFAOYSA-N 381.520 3.881 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccc(O)c(Cl)c1 79481559 XJSJRLCQOYQRJN-INIZCTEOSA-N 395.868 3.538 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1nnc(C2CC2)o1 89662117 LRGIYYNINPPMOC-HOTGVXAUSA-N 376.501 3.701 0 40 GHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc3c(c2)nc(C)n3C)c1 89721613 FWLYKELMBPXTLJ-UHFFFAOYSA-N 392.459 3.521 0 40 GHAB COc1ccc([C@@H](N)c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)cc1OC 95533894 DCAITSWQYFWDFT-HXUWFJFHSA-N 396.491 3.747 0 40 GHAB Cc1nc(C(C)(C)NC(=O)[C@@H]2CCn3c(cnc3C(F)(F)F)C2)sc1C 95993233 QFHALBDPYOMRMO-LLVKDONJSA-N 386.443 3.589 0 40 GHAB CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 95998678 UJVUBCWANOBSJN-SFHVURJKSA-N 391.475 3.724 0 40 GHAB Cc1ccccc1C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 95998710 DXFARXWIFRNCEG-GOSISDBHSA-N 388.471 3.990 0 40 GHAB CC(C)C(=O)N1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1 96146901 VBHFPNPTFWLICR-UHFFFAOYSA-N 377.897 3.632 0 40 GHAB COc1ccc2[nH]cc(-c3csc(NC(=O)[C@H]4CC(=O)OC4(C)C)n3)c2c1 96222348 JEHWABOARSZVDR-CYBMUJFWSA-N 385.445 3.580 0 40 GHAB biogenic COC(=O)[C@H]1CCCCC[C@H]1NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 97164452 JPKZMJYQGBGQCG-RBUKOAKNSA-N 392.927 3.656 0 40 GHAB Cc1cccc(Cc2c(C)[nH]c3nc(SCc4ccccc4)nn3c2=O)c1 100133726 RBLOMSMGAUQUSL-UHFFFAOYSA-N 376.485 3.918 0 40 GHAB CCc1onc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 100155979 WLCBALFLPJDEBB-GASCZTMLSA-N 395.463 3.694 0 40 GHAB O=C1C[C@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1ccc(Cl)cc1 100791714 RKAHIWXEFVCMRV-IBGZPJMESA-N 379.847 3.512 0 40 GHAB biogenic O=C(COc1ccc2ccccc2c1)N1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 100870760 NAZVMRKYJCRHEF-YUXAGFNASA-N 376.500 3.575 0 40 GHAB COc1ccc(C[C@](C)(O)CNC(=O)c2csc(-c3ccccc3)n2)cc1 206705849 CTBFCVOJDSSDGE-NRFANRHFSA-N 382.485 3.542 0 40 GHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 216456223 RDYZKTOBUVOFCR-LJQANCHMSA-N 376.859 3.985 0 40 GHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 222842437 VAOSBYCURMFCPS-VQTJNVASSA-N 378.501 3.959 0 40 GHAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 222918502 QRYMCMBFVIHGIJ-AWEZNQCLSA-N 393.314 3.742 0 40 GHAB CCCCNC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(C)cc2)cc1 224457041 OKQJLVCICVSVHF-UHFFFAOYSA-N 388.533 3.736 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1 225422710 UFTBFTYTUCRHSO-QFIPXVFZSA-N 396.531 3.880 0 40 GHAB CCCCOc1ccc(NC(=O)N2CCN(c3cc(C4CC4)nn3C)CC2)cc1 225570694 AZHOTJMOBACBLK-UHFFFAOYSA-N 397.523 3.831 0 40 GHAB CC1(C)CC(O)CC(C)(C)N1C[C@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 230111358 LVHVVULBVCVEDK-ZLFGVDQTSA-N 381.601 3.983 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)o2)cc1C 260492647 AHVMMSQYIZOQTK-YQQAZPJKSA-N 387.505 3.662 0 40 GHAB Cc1ccc(CN2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)s1 306134224 NGASNOZJIVVMIS-FQEVSTJZSA-N 391.500 3.735 0 40 GHAB Fc1c(Cl)cc(I)cc1I 307392392 YJZZPHZFZCHVRV-UHFFFAOYSA-N 382.341 3.688 0 40 GHAB CC[C@@H](C(=O)N(C)Cc1nnc(-c2ccc(OC)c(OC)c2)o1)c1ccccc1 408714200 LBIPMECRQWRFCN-QGZVFWFLSA-N 395.459 3.906 0 40 GHAB CN1CCC(CNC(=O)c2ccccc2SCc2cn3ccccc3n2)CC1 505410897 MNAIGTJGUQVESC-UHFFFAOYSA-N 394.544 3.698 0 40 GHAB CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1cc2ccccc2o1)N(C)C 575621531 PGULXIQNZQEFQW-INIZCTEOSA-N 397.500 3.512 0 40 GHAB COCC(C)(C)N(C)C(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F 650051174 NZJJWHXVGAJYAR-UHFFFAOYSA-N 382.386 3.736 0 40 GHAB C[C@@H]1CCCc2ncc(C(=O)NC3CCN(c4nc5ccccc5s4)CC3)n21 651198751 IALLDSGOHMXMLW-CQSZACIVSA-N 395.532 3.789 0 40 GHAB Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(C(=O)CC4=CCCCC4)[C@@H]3C2)n1 2055729833 SJJKGZKWQLQLOV-NNWRFLSQSA-N 384.520 3.803 0 40 GHAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCc2ccccc21)OCO3 930017 ZEXGDTHSFRXTQY-UHFFFAOYSA-N 378.453 3.953 0 40 GHAB COc1ccccc1[C@@H](CC(=O)N1CCOCC1)c1ccc(OC(C)C)cc1 1322389 JWBRXJNWZUZTNV-NRFANRHFSA-N 383.488 3.863 0 40 GHAB biogenic COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S@](=O)Cc2ccc(C)cc2)cn1 1383609 UKBGNIASULYWLD-DACFSCGWSA-N 399.299 3.933 0 40 GHAB CCN(CC)C(=O)[C@@]12C(=O)Oc3ccccc3[C@@H]1[C@@]2(C)C(=O)c1ccc(F)cc1 1428074 YBDFCCFZATYMIZ-YFXJRYMSSA-N 395.430 3.586 0 40 GHAB CN1CN(c2ccccc2)C2(CCN(c3nc4ccccc4s3)CC2)C1=O 1664552 GPPFMEDCQTVYOC-UHFFFAOYSA-N 378.501 3.571 0 40 GHAB COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc(Cl)c1OC(C)=O 2284778 UIEYORSQURJAGV-NVNXTCNLSA-N 389.766 3.758 0 40 GHAB COC(=O)c1c(Nc2nc3ccccc3nc2N2CCOCC2)sc(C)c1C 2348405 YPOGMLWZBGDTET-UHFFFAOYSA-N 398.488 3.675 0 40 GHAB CCCCSc1nc2ccc(I)cc2c(=O)n1CC 2357459 OPTYXDWQRSUKGC-UHFFFAOYSA-N 388.274 3.913 0 40 GHAB Cc1ccc(F)cc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 2621628 JVPKQUANILERTP-IBGZPJMESA-N 378.403 3.933 0 40 GHAB O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NC1CCCC1 3059272 CEZNKYXVWCFTOT-UHFFFAOYSA-N 399.541 3.657 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 3230866 UDJYYNDPLNJFFQ-UHFFFAOYSA-N 378.519 3.520 0 40 GHAB CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)CC)cc3)sc2c1 4585874 LEKBNRJJQCZGFS-UHFFFAOYSA-N 390.486 3.741 0 40 GHAB Cc1nc(SCC(=O)N[C@H](C)c2ccccc2)[nH]c1Cc1ccc(O)cc1 4626017 WJLQUTAGWFXHCA-CQSZACIVSA-N 381.501 3.984 0 40 GHAB COc1ccc2nc(NC(=S)NC(=O)c3cccc(C)c3OC)sc2c1 4703969 YOXGYHXEPDAKSM-UHFFFAOYSA-N 387.486 3.749 0 40 GHAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)cc1 4816810 APFIVHUPWKGGEC-WOJBJXKFSA-N 392.459 3.773 0 40 GHAB O=C(COc1cccc(Cl)c1Cl)Nc1ccc(N2CCOCC2)cc1 4821702 CRPNKRIFUMWYRT-UHFFFAOYSA-N 381.259 3.848 0 40 GHAB CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 4932254 DTMBMGSQNDMAJS-GFCCVEGCSA-N 382.291 3.626 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)ccc1F 5099682 PECGTYYLCLFJFG-UHFFFAOYSA-N 390.480 3.870 0 40 GHAB CCc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 5293554 PGPVAHDGHBWOAW-SFHVURJKSA-N 392.908 3.694 0 40 GHAB Cc1ccc(-n2nnnc2S[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1C 5565455 BEOKXJALRLXFCF-LJQANCHMSA-N 393.516 3.735 0 40 GHAB COC(=O)c1ccccc1NC(=O)COc1ccc(C2SCCS2)cc1 5584370 KCKLIDMQSQVEDV-UHFFFAOYSA-N 389.498 3.969 0 40 GHAB Cc1cc(C(=O)COC(=O)[C@H](O)c2ccccc2)c(C)n1Cc1ccc(F)cc1 5873704 QBYVJTZRPQIWDA-JOCHJYFZSA-N 395.430 3.752 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)O)Cc2c(Cl)cccc2Cl)cc1 6233946 YIWQDHKMQQJSOC-UHFFFAOYSA-N 388.272 3.577 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 6544285 BDQFZZXSYSGGOB-QHCPKHFHSA-N 398.418 3.564 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1ccc(-c2ccccc2)cc1 6648227 JVATZKVYXXUTEH-UHFFFAOYSA-N 383.451 3.791 0 40 GHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2Cl)n2ncnc2N1 6661971 CXVAVZWUIOHFAL-QGZVFWFLSA-N 383.814 3.998 0 40 GHAB CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 6732801 OPOHHXYYBJOWHU-KRWDZBQOSA-N 389.436 3.957 0 40 GHAB COc1ccc([C@@]2(C)NC(=O)N(Cc3csc(-c4ccccc4)n3)C2=O)cc1 7140958 PYMKTADINBYYHC-OAQYLSRUSA-N 393.468 3.786 0 40 GHAB C[C@@H](NC(=O)CSc1nnc(-c2ccncc2)n1C)c1cc2ccccc2o1 7329619 VILANLFQUGYFJF-CYBMUJFWSA-N 393.472 3.593 0 40 GHAB CCCOc1ccc([C@H](C)NC(=O)CN2CCSC2=O)cc1OCCC 7437645 VEJBFXWRTXYKJV-AWEZNQCLSA-N 380.510 3.610 0 40 GHAB C[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc2c(c1)CCCC2 7822063 PEQDYBUDHIVKCI-HNNXBMFYSA-N 384.549 3.853 0 40 GHAB C[C@H](Sc1nnc([C@@H](C)Oc2ccccc2)n1C)C(=O)Nc1nccs1 7871127 IZUJCSJLVHXPEG-NEPJUHHUSA-N 389.506 3.531 0 40 GHAB CN1CCC2(CC1)C[C@H](NC(=O)c1ccc3ccccc3n1)c1ccccc1O2 8130776 VDTKLAAGIQADRH-NRFANRHFSA-N 387.483 3.953 0 40 GHAB COc1ccc([C@H](NC(=O)c2cnn(-c3ccccc3)n2)c2ccccc2)cc1 8231461 NXAUSXKPYIFFIR-JOCHJYFZSA-N 384.439 3.795 0 40 GHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCOc1ccccc1F 8621436 MLTLEEKOXDGEGJ-UHFFFAOYSA-N 390.414 3.700 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1 9094830 YHUKMLOGEJGNJK-ZDUSSCGKSA-N 388.876 3.799 0 40 GHAB COc1cc(C=O)cc(Br)c1OCC(=O)Nc1c(C)cccc1C 9232100 FZLYYAQENAIHBR-UHFFFAOYSA-N 392.249 3.905 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N1CCc2sccc2[C@H]1c1cccs1 9377164 NYOUODQYCGGCKP-IBGZPJMESA-N 396.493 3.892 0 40 GHAB COc1ccc(-n2ccnc2SCC(=O)N2CCc3ccccc3C2)cc1 10873066 CWDLVUSNKFNJJA-UHFFFAOYSA-N 379.485 3.558 0 40 GHAB Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 11073751 ROBORYVZAQVZJE-QGZVFWFLSA-N 387.483 3.911 0 40 GHAB COCC(=O)Nc1ccc(-c2nnc(N(C)c3ccc(OC)cc3)s2)cc1 11797109 CMGGFJZZBGQZHK-UHFFFAOYSA-N 384.461 3.567 0 40 GHAB COc1cc(NC(=O)CS[C@@H]2CCc3ccccc3N=C2O)cc(OC)c1 11865838 WKMLDAFVIURECA-GOSISDBHSA-N 386.473 3.979 0 40 GHAB Cc1ccc(CN(C)C(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C)c1 12325951 INTTURBYVKMSMI-OAQYLSRUSA-N 393.531 3.613 0 40 GHAB COc1ccc(CN2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)c(F)c1 12328144 HHDWFNAMXRLFSB-UHFFFAOYSA-N 394.450 3.772 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)Cn3nc(C)c(C)c3C)[C@@H]3CCCC[C@H]32)cc1 12366627 UIAMEQAMHBNZPP-SCPDWHHUSA-N 381.520 3.906 0 40 GHAB C[C@H](NC(=O)c1cc2c(Cl)cccc2[nH]1)c1ccc(S(C)(=O)=O)cc1 12744847 ISMDACWWSWXIKR-NSHDSACASA-N 376.865 3.716 0 40 GHAB COc1cc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)ccc1O 13123768 VTATXXICBYBQEB-UHFFFAOYSA-N 390.399 3.625 0 40 GHAB O=S(=O)(Nc1ccc(Cn2cccn2)cc1)c1ccc(Br)s1 14230860 CYRGZWIQPBASEJ-UHFFFAOYSA-N 398.307 3.556 0 40 GHAB Cc1ccc(SCCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 16108727 OPBZRMFHZUGMMQ-OAHLLOKOSA-N 377.531 3.758 0 40 GHAB COc1cc(C(=O)NCc2ccccn2)cc(OC)c1OCc1ccccc1 17167939 JSGIRNYEVJONCO-UHFFFAOYSA-N 378.428 3.608 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)CCCC2 17336803 BGGCZFAJWPHSKM-UHFFFAOYSA-N 384.501 3.602 0 40 GHAB Cc1ccc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)s1 19217196 FXYUSORLPKFYMR-ZDUSSCGKSA-N 384.954 3.888 0 40 GHAB COc1ccc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)CN3C)cn1 19590815 MMRWRUHXJHYWGQ-VWPQPMDRSA-N 397.494 3.712 0 40 GHAB O=C(CN1CCC(c2ccccc2)CC1)Nc1cnn(Cc2ccccc2F)c1 19661240 BUDFWTRXBQJHPV-UHFFFAOYSA-N 392.478 3.889 0 40 GHAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCCN2CC2CC2)cc1 19766515 BVQYLCOSIRGZKM-OAQYLSRUSA-N 394.519 3.661 0 40 GHAB COC(=O)c1cc2cc(NC(=O)Cc3cc(OC)ccc3OC)ccc2s1 20029780 XDLUDJIWBWERAN-UHFFFAOYSA-N 385.441 3.886 0 40 GHAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(C(=O)O)cc1 20144790 GOYQOGWKRVIKLE-UHFFFAOYSA-N 378.222 3.943 0 40 GHAB CCCCCCn1c(=N)n(C[C@H](O)COc2ccc(OC)cc2)c2ccccc21 20324277 SHYPCUXQOHFXGM-SFHVURJKSA-N 397.519 3.951 0 40 GHAB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccccc2)n2c1nc1ccccc12 20638169 INEFNUSCRTZHJE-PMACEKPBSA-N 391.471 3.952 0 40 GHAB CCN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 20732963 BWWIFDMCFOQEGK-JOCHJYFZSA-N 393.487 3.510 0 40 GHAB CCOCc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1OC 21633821 PXTZZAZMSVZGIR-UHFFFAOYSA-N 382.504 3.626 0 40 GHAB O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 21821512 FXEMTPSVRMAPOX-UHFFFAOYSA-N 394.212 3.946 0 40 GHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3 22462020 WMOIGBYKYGROQS-UHFFFAOYSA-N 395.547 3.812 0 40 GHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)[C@H]3CC3(Cl)Cl)n2)cc1 24596371 KSTSUNDMJSKJPW-CYBMUJFWSA-N 398.315 3.621 0 40 GHAB O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2ccc(O)cc2)CC1 25680187 XBMNBLIDYSLQDR-UHFFFAOYSA-N 376.456 3.558 0 40 GHAB CSc1nc(C)c(CCC(=O)OCc2cn3cc(Cl)ccc3n2)c(C)n1 26706614 LTSQAYWUUDSKLB-UHFFFAOYSA-N 390.896 3.792 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(Br)cn2)cc1 28973539 VBNZZMWZKNSOFY-MRXNPFEDSA-N 390.281 3.628 0 40 GHAB COc1ccc(-c2[nH]nc(-c3nn4c(C(C)C)nnc4s3)c2C)c(OC)c1 31809306 BDIJRQAXECCRSK-UHFFFAOYSA-N 384.465 3.692 0 40 GHAB COc1cc(/C=C/C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc(Cl)c1OC 32803424 JRZZRFHARKWBBN-ILNGBFOMSA-N 396.270 3.874 0 40 GHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 32847894 OWGJZJFGMWVFTI-ZDUSSCGKSA-N 380.448 3.583 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)N[C@H](C)c2ccc(Br)cc2)cc1 36395718 VFFFMJNSQIBFEC-KGLIPLIRSA-N 391.309 3.813 0 40 GHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3cc(C)oc3C)ccc21 38677798 HSMMQTXNWLFWHL-UHFFFAOYSA-N 376.478 3.641 0 40 GHAB COC(=O)[C@@H](Oc1nc(C)cc(C)n1)C(OC)(c1ccccc1)c1ccccc1 39141712 RCOLWOXJIUGEGI-HXUWFJFHSA-N 392.455 3.604 0 40 GHAB in-vitro C[C@@H]1CN(Cc2ccc(CNC(=O)CCCc3ccccc3)cc2)C[C@@H](C)O1 40106933 OCNWPNWYJCCDAI-WOJBJXKFSA-N 380.532 3.935 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 40115345 DNDWRGMUHMEKPH-UHFFFAOYSA-N 393.827 3.860 0 40 GHAB Cc1cc(NC(=O)C(=O)NCc2ccccc2Cl)ccc1Br 42646173 RRHCDUGPQBMSGP-UHFFFAOYSA-N 381.657 3.666 0 40 GHAB CN(C)C1(CNC(=O)Nc2cccc(COC[C@H]3CCCCO3)c2)CCCC1 47627487 JQTUWJALNWVETJ-HXUWFJFHSA-N 389.540 3.768 0 40 GHAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-n3nc(C)cc3C)c2)C1 48276708 ZQYMVFBZPQHWRU-GOSISDBHSA-N 397.523 3.601 0 40 GHAB CCOC(=O)c1cnc2c(-c3ccc(OC)cc3)c(CC)nn2c1/C=C/N(C)C 49769483 BLODXTDBPYAPSI-OUKQBFOZSA-N 394.475 3.676 0 40 GHAB O=c1c(Cl)c(NC2CCC(O)CC2)cnn1-c1ccc(Cl)cc1Cl 51129481 ZBKVMAQMXYHUOH-UHFFFAOYSA-N 388.682 3.908 0 40 GHAB CCCc1c(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)[nH]c(C)c1C(=O)OC 52645369 KPTJLMUWUBMWGB-UHFFFAOYSA-N 395.463 3.512 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2F)c(-c2ccc(F)cc2)n1 57508665 DDCOQGFRJVEUNP-UHFFFAOYSA-N 387.361 3.529 0 40 GHAB CCCCOCCCNC(=O)[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 58330798 KRHSBOCFVMJOMW-FQEVSTJZSA-N 399.535 3.877 0 40 GHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1 59257838 NJKCODTXQGIFNF-UHFFFAOYSA-N 391.475 3.732 0 40 GHAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(n2cncn2)CC1 60294174 SCDOJIGJFMXGBS-DUXPYHPUSA-N 384.789 3.827 0 40 GHAB CSc1nc2cc(C)n(CC(=O)Nc3ccccc3C)c2c(=O)n1CC(C)C 67319941 LMHHQCQBSXTLPV-UHFFFAOYSA-N 398.532 3.831 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)c1 79104024 UFIQVAFBUFKDLG-LAUBAEHRSA-N 387.501 3.794 0 40 GHAB Cc1ccccc1-c1cc(NC(=O)c2nccnc2N)n(Cc2ccccc2)n1 79352321 BDBQRDYLJZXXOD-UHFFFAOYSA-N 384.443 3.531 0 40 GHAB Cc1sc(-n2cccc2)c(C(=O)NCC(=O)N2CCCc3ccccc32)c1C 84061959 VOTUWCYDDVBBOQ-UHFFFAOYSA-N 393.512 3.865 0 40 GHAB CC(C)(C)[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1cccc(F)c1 95408096 NUUZPQRNHSGBRG-NRFANRHFSA-N 384.451 3.845 0 40 GHAB COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1cccs1)CC2 96061339 DCLHQBFBPFQCIB-HXUWFJFHSA-N 384.545 3.745 0 40 GHAB COc1cccc(C(=O)c2coc3ccc(OCC(=O)N4CCCC4)cc23)c1 96184214 RWNHUPAWKCBMKP-UHFFFAOYSA-N 379.412 3.674 0 40 GHAB O=C(Nc1cccc(F)c1)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 96999049 QXWDQICXGGEGGY-UHFFFAOYSA-N 381.382 3.701 0 40 GHAB COc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)c2)c1 100694723 HIIUJVFBIAJBJV-PMACEKPBSA-N 390.439 3.793 0 40 GHAB O=C(c1ccc(Cl)cc1)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101323117 HFSZEMJMVNSPBC-IRXDYDNUSA-N 389.904 3.950 0 40 GHAB O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 101359161 ILDFWEXBSJJRQS-UKRRQHHQSA-N 395.629 3.939 0 40 GHAB CC(=O)[C@H](CC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)c1ccccc1 102219519 LODDISNMZVZTMT-QFIPXVFZSA-N 377.484 3.946 0 40 GHAB Cc1nc(-n2c(C)ccc2C)nc(N[C@H]2CC[C@H](O)CC2)c1Br 104028162 ULYWRYMKLSKBHN-OKILXGFUSA-N 379.302 3.670 0 40 GHAB C[C@@H]1CC[C@@H]2C(=CC[C@H](O)C2(C)C)[C@]1(C)Cc1c(O)cc(CO)c(C=O)c1O 108227498 KCAICXOYUFVURO-OQAKAONOSA-N 388.504 3.715 0 40 GHAB biogenic,in-vitro CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCC(C)(C)C2)c1 112684152 WCORPLSZYSJRLQ-UHFFFAOYSA-N 386.517 3.774 0 40 GHAB CC1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)CC1 219993121 VTDPIYNMDPSMBE-KRWDZBQOSA-N 386.517 3.598 0 40 GHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 223063016 WWSUEIAINXGTHQ-RTWAWAEBSA-N 392.528 3.881 0 40 GHAB CCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225678551 SQLGDJUABBNSLC-UHFFFAOYSA-N 380.516 3.513 0 40 GHAB O=C(c1cnc2ccccc2c1)N1CCC[C@@H](Cc2cc(-c3ncc[nH]3)ncn2)C1 257244028 IJOJHEFNCYBSJH-INIZCTEOSA-N 398.470 3.510 0 40 GHAB Cn1c2ccccc2c2cc(C(=O)NS(=O)(=O)c3ccc(F)cc3)ccc21 257314296 UWGUWRUDYFWDDL-UHFFFAOYSA-N 382.416 3.589 0 40 GHAB CCN(CC)C(=O)CN1CCO[C@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 257314644 UXVWXAIGSVNLGO-QHCPKHFHSA-N 395.547 3.531 0 40 GHAB CCOc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc1CO 257320882 VZAFORIYQJKCKM-XLQGDHTPSA-N 387.520 3.596 0 40 GHAB CC(C)(C)c1ccc(CN2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)c(OCC(=O)O)c1 257332400 XXEABHRAODAKED-JUXOCIIHSA-N 375.509 3.573 0 40 GHAB Cc1cccc(CN2C[C@@H]3c4cc(-c5ccncc5)ccc4S(=O)(=O)[C@@H]3C2)c1 306127283 FTZLSDFVPWBTIK-FYYLOGMGSA-N 390.508 3.812 0 40 GHAB Cc1cncc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 306133202 MEVJXPOTKPJACO-LJQANCHMSA-N 398.470 3.515 0 40 GHAB CCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)c2ccc(Cl)cc2)c1 408559536 XQUKRCSEKWGCSN-UHFFFAOYSA-N 396.896 3.679 0 40 GHAB CCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)N(CC)CC)cc1 408561899 LKSKXQSMOCCJEZ-UHFFFAOYSA-N 375.494 3.924 0 40 GHAB CCc1ncncc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 530402066 IIWISGWQEJPQSW-CYBMUJFWSA-N 379.291 3.745 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cn1)N1CC2(CCC2)[C@H]1c1ccccc1 581649763 HVRPWOJWTMLKNR-HXUWFJFHSA-N 378.476 3.677 0 40 GHAB O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCCc2occc2C1 585083995 OQYDTEXERZXLTD-HNNXBMFYSA-N 393.409 3.885 0 40 GHAB Cc1cc(NC(=O)N2CC[C@]3(c4ccccc4)[C@H](C2)C3(F)F)cc(C(N)=O)c1 585101656 GYGFKLKSZSQQAF-PXNSSMCTSA-N 385.414 3.535 0 40 GHAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@H](CN(C)Cc2cccnc2)C3)c1 585104904 WQSKCFWTFQGJIK-QFIPXVFZSA-N 393.531 3.533 0 40 GHAB C[C@H](NC(=O)N1CCC(Oc2cnccn2)CC1)c1cc2cccc(F)c2o1 585140004 MVWBXJIYWIPGKR-ZDUSSCGKSA-N 384.411 3.676 0 40 GHAB CC[C@H]1COCCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 607834117 CIGCFQVUFHGCPO-NSHDSACASA-N 382.247 3.827 0 40 GHAB CNC(=O)CC1(CNC(=O)c2ccccc2Oc2cccnc2)CCCCC1 620091853 UNZKLMDZUBIPAK-UHFFFAOYSA-N 381.476 3.690 0 40 GHAB COc1cc(Cl)ccc1C(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 647770599 YJLCRWPGLNAVPF-UHFFFAOYSA-N 379.807 3.934 0 40 GHAB Cc1cc(CN(C)C(=O)C2(N)CC3(CCC3)C2)cc(C)c1OCC(F)(F)F 659259775 ORNAEEMROGZFSL-UHFFFAOYSA-N 384.442 3.865 0 40 GHAB COc1cc(-c2nc(CC(=O)N(C)C3CCCCC3)no2)c2ccccc2n1 664854248 NOCMVDPUMAACBF-UHFFFAOYSA-N 380.448 3.627 0 40 GHAB C[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1ccc(-c2ccccc2)cc1 1537796735 BMOKQTGEFHEHGH-KRWDZBQOSA-N 375.476 3.877 0 40 GHAB O=C1CC[C@@]2(CCCN(C(=O)C3(F)CCC3)CC2)N1Cc1cccc(F)c1 1565545168 WWKUMBREHJFBKD-HXUWFJFHSA-N 376.447 3.592 0 40 GHAB O=C(c1cccc2[nH]ccc12)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775965588 FGZBCTYSIHFHHP-UHFFFAOYSA-N 376.460 3.767 0 40 GHAB COc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 835469 BEDVEZJZOSSYGY-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)[C@H]3CCCO3)cc2c1 1359248 GEVDHLQUFXTLAD-OAQYLSRUSA-N 394.446 3.683 0 40 GHAB O=C1OCC2=C1[C@H](c1ccsc1)CC(=O)N2c1cccc(Br)c1 1430749 BSHDYKOPGLPZBT-ZDUSSCGKSA-N 390.258 3.842 0 40 GHAB COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1COc1ccccc1Cl 2472503 JCMVSVKBDLONRR-WMLDXEAASA-N 379.865 3.716 0 40 GHAB CSc1ncccc1C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1 2654445 DTXCTNVZUBLAHC-UHFFFAOYSA-N 384.429 3.914 0 40 GHAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCO2 2728332 BKGRDVKZQSRORD-UHFFFAOYSA-N 385.228 3.555 0 40 GHAB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccccc1OC(F)F 3263524 YOVXSMUEBOEPHT-UHFFFAOYSA-N 387.338 3.942 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)N[C@H]3CCCc4ccccc43)CC2=O)cc1 3524972 NSAFJWZCOYKWLD-UWJYYQICSA-N 378.472 3.632 0 40 GHAB Cc1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3566361 DDEQPOIDVJHASC-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB CC(=O)c1ccccc1OCCOCCOCCOc1ccccc1C(C)=O 3844440 ROIDKKVXNWWNOB-UHFFFAOYSA-N 386.444 3.583 0 40 GHAB biogenic CC[C@H](C(=O)N(c1ccc(OC)cc1)[C@H]1C=CS(=O)(=O)C1)c1ccccc1 4165485 KCOITLUUOBCUGR-ICSRJNTNSA-N 385.485 3.533 0 40 GHAB COC(=O)[C@H](C)Sc1nnc(-c2cccc(OC)c2)n1-c1ccc(C)cc1 4359080 HGSWFKWGGZARKX-AWEZNQCLSA-N 383.473 3.905 0 40 GHAB O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(Br)cc1F 5482714 NPTIZHFLLVTHLN-UHFFFAOYSA-N 381.226 3.603 0 40 GHAB COc1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1cccc2ccccc12 6086011 GEAKANOMYKLOLI-MRXNPFEDSA-N 391.471 3.746 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)CC1 6246614 DAAWPJZBSIXCSU-UHFFFAOYSA-N 399.363 3.776 0 40 GHAB COc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1OC 6662031 WBMXSSMXRVZIFC-UHFFFAOYSA-N 383.404 3.793 0 40 GHAB O=C1NC2(CCCCCCC2)C(=O)N1CCOc1ccc(Br)cc1 7058474 SCGQWFKIRGJXRT-UHFFFAOYSA-N 395.297 3.863 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccc(F)c(F)c2)c1 7717084 XKXIDDHTSCFFKF-GOSISDBHSA-N 376.403 3.758 0 40 GHAB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)n2)cc1 7773492 ACLKXJBRNDWRSL-CYBMUJFWSA-N 398.488 3.991 0 40 GHAB O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1N1CCCC1=O 7941495 DCTVPBXJXXWEAS-UHFFFAOYSA-N 391.515 3.729 0 40 GHAB COC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OC)C1c1cccc(F)c1 8205241 ACBNADYMFILKHD-UHFFFAOYSA-N 381.403 3.539 0 40 GHAB Cc1c(Br)ccc(NC(=O)COC(=O)c2ccc(C=O)cc2)c1C 8272706 VVTFCVCHXBTLAZ-UHFFFAOYSA-N 390.233 3.674 0 40 GHAB CC[C@H](CO)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 8327014 JEWDUQIDZNLQGV-MRXNPFEDSA-N 394.309 3.897 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3n2C)n1 8719646 VYRLQXWSWQUPKH-UHFFFAOYSA-N 377.477 3.685 0 40 GHAB CC(C)NC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1 8852288 OETVNRNOGAOXFQ-UHFFFAOYSA-N 383.926 3.594 0 40 GHAB Cc1ccc2[nH]c(SCC(=O)Nc3ccc(N4CCCC4=O)cc3)nc2c1 9338181 DBDOQRZCXLDBBN-UHFFFAOYSA-N 380.473 3.729 0 40 GHAB COCCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21 9549749 SGRCYGLUWGQDCG-ZDUSSCGKSA-N 399.472 3.531 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4ccccc4)nn32)cc1 10153393 STKSONDUJCNUSM-KRWDZBQOSA-N 375.432 3.591 0 40 GHAB CCC(C)(C)NC(=O)CSc1nnc(N2CCCC2)n1-c1ccc(C)cc1 10196193 CFSUKJXBNJZTJH-UHFFFAOYSA-N 387.553 3.573 0 40 GHAB Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 11614441 HTAPBLADXSZRNO-NRFANRHFSA-N 390.483 3.907 0 40 GHAB COC(=O)c1sc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)nc1C 11915749 XKEKQZLAFFAOME-UHFFFAOYSA-N 377.809 3.799 0 40 GHAB COc1ccc(/C=C/c2nn3c(Cc4ccccc4)nnc3s2)cc1OC 12274190 QLSLYAUVXMMBCC-PKNBQFBNSA-N 378.457 3.964 0 40 GHAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)CC(C)C 12389272 ZVMJGQZCZNMVIP-UHFFFAOYSA-N 392.521 3.569 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)Nc2nc3ccc(C)cc3s2)CC1=O 12584939 AWISFXMVBRWQGU-CYBMUJFWSA-N 381.457 3.605 0 40 GHAB CCOc1cc2c(cc1CSc1nnnn1-c1cccc(C)c1)O[C@@H](C)C2 12692141 MJPCBLTZWKJVLU-AWEZNQCLSA-N 382.489 3.985 0 40 GHAB O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)/C=C/c2ccccc2)cc1 12738519 LNOIFLMINKGOKT-CCEZHUSRSA-N 396.512 3.544 0 40 GHAB O=C(c1c2c(nc3ccccc13)CCC2)N1CCN(CCc2ccccc2)CC1 12759193 WSAQOBGPPLHYMG-UHFFFAOYSA-N 385.511 3.724 0 40 GHAB Cc1nc(C)c(-c2nnc(SCC(=O)N(C)Cc3ccsc3)o2)s1 12764293 NQLQZOYPQRHKJW-UHFFFAOYSA-N 380.520 3.622 0 40 GHAB CCOc1ccc(OCCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 12777880 OKYWJBHDRNZMCI-UHFFFAOYSA-N 383.444 3.525 0 40 GHAB CCOC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1 12809886 DDNWGBYHEWSPEC-UHFFFAOYSA-N 382.416 3.829 0 40 GHAB c1cncc(-c2nc3c4ccccc4nc(SCCN4CCCCC4)n3n2)c1 13640175 MBVJCLUUEGZJEQ-UHFFFAOYSA-N 390.516 3.918 0 40 GHAB COc1ccc(NC(=O)NCCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 14106920 WPYCPMAGRVBYFA-LRYXAPPNSA-N 399.535 3.928 0 40 GHAB CCCCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1 14869996 LCDKCYQJQHYYLH-UHFFFAOYSA-N 390.505 3.540 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3ccc(OC(F)F)cc3)cc2C)CC1 16725320 OGAOCYOKIYPGOS-UHFFFAOYSA-N 389.446 3.991 0 40 GHAB Cc1nc2cc(C(=O)OCc3ccc(C(N)=O)cc3)ccc2n1-c1ccccc1 16813033 NCFCNJDCWMHRIQ-UHFFFAOYSA-N 385.423 3.790 0 40 GHAB CCCCn1c(SCc2nc(-c3ccccn3)no2)nc2ccsc2c1=O 16843529 PJDMYKLBWPNMOT-UHFFFAOYSA-N 399.501 3.995 0 40 GHAB Cc1ccc(Cl)c(OCc2ccc(-c3nc4c5cn[nH]c5ncn4n3)o2)c1 17077865 YIZWVANMKGCRCB-UHFFFAOYSA-N 380.795 3.801 0 40 GHAB COc1ccc([C@H]2CC(=O)c3cn4nc(-c5ccc(F)cc5)nc4nc3C2)cc1 17079248 ALMJXOPAVHKYPU-OAHLLOKOSA-N 388.402 3.852 0 40 GHAB Cc1cccc(COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)c1 17122929 IAOWAVNENYICOI-UHFFFAOYSA-N 375.472 3.824 0 40 GHAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2c1 18120013 CQDHMGKVCBMPFF-UHFFFAOYSA-N 384.413 3.843 0 40 GHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@@H]3CC=CCC3)CC1)N2 19128528 GFACYURBFMJTSZ-IXDOHACOSA-N 378.467 3.777 0 40 GHAB Cc1ccccc1-n1nc(C)c(CC(=O)N2CCCC[C@H]2CN2CCCC2)c1C 19237567 ZCLSWGGHQOEZGM-NRFANRHFSA-N 394.563 3.817 0 40 GHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCC2)cc(N(C)C)n1 19240839 VZTMKKREBBGYAK-FQEVSTJZSA-N 391.519 3.923 0 40 GHAB Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)Cc2ccccc2)c1C 19558172 ZGAVXZBJMAPHPK-IBGZPJMESA-N 378.476 3.988 0 40 GHAB CCCN1C(=O)[C@](NC(=O)C2CCCCC2)(C(F)(F)F)N=C1c1ccccc1 19939146 QHLRXBJZOFKFDR-IBGZPJMESA-N 395.425 3.641 0 40 GHAB Cc1cccc(OCC(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)c1 20153691 QIFQKUVFIPXYIN-UHFFFAOYSA-N 396.468 3.639 0 40 GHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccccc3Cl)cc2C[C@@H]1C 20449026 XNPQNVNBBYHWBT-LBPRGKRZSA-N 378.881 3.693 0 40 GHAB Cn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1C(F)(F)F 22049134 RULYDLMRCCNYQQ-UHFFFAOYSA-N 375.763 3.830 0 40 GHAB Cc1sc2ncnc(NC[C@@H](c3ccc(F)cc3)N3CCOCC3)c2c1C 23381275 HMJPLHFOCBVOPJ-KRWDZBQOSA-N 386.496 3.933 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(Cc2ccsc2)CC1 25397505 PJQPZZBQJCTFIN-UHFFFAOYSA-N 381.501 3.680 0 40 GHAB C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 27570429 NBUPWUNXDZAFKX-UYAOXDASSA-N 391.515 3.705 0 40 GHAB COc1ccc(OC)c(CN(C2CC2)S(=O)(=O)c2c(C)cc(C)cc2C)c1 28055899 RMTAUQBZTHCRAV-UHFFFAOYSA-N 389.517 3.982 0 40 GHAB O=C(CCNC(=O)c1ccco1)Nc1cccc(COc2cccc(F)c2)c1 31398902 QLZUCNXJQQXQMD-UHFFFAOYSA-N 382.391 3.756 0 40 GHAB O=C(N1CCN(CCO)CC1)N1c2ccccc2Sc2ccc(Cl)cc21 31923868 CLIBDWBXGIOVSL-UHFFFAOYSA-N 389.908 3.673 0 40 GHAB CC(=O)NCc1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 32001573 JSGJQOZUHMSAGC-UHFFFAOYSA-N 384.439 3.890 0 40 GHAB COc1ccc(S(=O)(=O)Oc2ccc(N3CCCC3=O)cc2)c2ccccc12 32407684 WAHOJVGNDNXQAU-UHFFFAOYSA-N 397.452 3.743 0 40 GHAB COc1ccccc1OC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccco1 32624136 WIWHMRPZUVQPRP-LJQANCHMSA-N 385.435 3.869 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](C(=O)NCc1cc(-c2ccccc2)no1)C(C)C 32927972 QCKGWJFVVGCYRR-OAQYLSRUSA-N 391.471 3.721 0 40 GHAB COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCC(C)C 35223873 SOZGPVZLHJVJFL-YBFXNURJSA-N 380.469 3.500 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC[C@@H](c2cccs2)N2CCOCC2)o1 36694607 FFICGMHTZDVYHL-SRRGMWCNSA-N 386.517 3.667 0 40 GHAB COc1cc(NC(=O)NCCSCc2ccccc2)cc(OC)c1OC 40023962 XLEJCRUJTZZSRC-UHFFFAOYSA-N 376.478 3.767 0 40 GHAB CC(C)c1noc2ncc(C(=O)N[C@@H]3CCC[C@H](OCC(F)(F)F)C3)cc12 40081015 UCBGEBRLOVVLGI-OLZOCXBDSA-N 385.386 3.966 0 40 GHAB Cc1cc(CN2CCN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)on1 40103594 QHRQKRRSYJFHSM-UHFFFAOYSA-N 388.471 3.904 0 40 GHAB CC1CCC(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC1 40143589 DOODKGMGPXWRAG-UHFFFAOYSA-N 378.519 3.857 0 40 GHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2cnnn2)cc1 43005390 KKVVAXNGIDMPAN-UHFFFAOYSA-N 391.353 3.722 0 40 GHAB CC(=O)N(C)Cc1ccccc1NC(=O)NCCSCc1cccs1 44364404 NXQXWWBLBKMUPD-UHFFFAOYSA-N 377.535 3.781 0 40 GHAB Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 44841085 GMTYZWKRZJQDFS-UHFFFAOYSA-N 395.484 3.680 0 40 GHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCc1ccc(OC)c(OC)c1 44847417 RXNCQXVNAGZORR-INIZCTEOSA-N 377.868 3.874 0 40 GHAB CC(=O)c1ccc(OCC(=O)NC2(c3ccc(Br)cc3)CC2)cc1 48206840 RFFLOGOEDOVHNN-UHFFFAOYSA-N 388.261 3.836 0 40 GHAB COC(=O)Nc1ccc(CNC(=O)c2ccc(OC)c(Br)c2)cc1 48355435 REVUYXNQXNCLFN-UHFFFAOYSA-N 393.237 3.566 0 40 GHAB CC(=O)Nc1cc(NC(=O)CSc2nnc(Cc3ccccc3)o2)ccc1C 48513669 GFEOTGFSYFNWOI-UHFFFAOYSA-N 396.472 3.658 0 40 GHAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1-c1ccccc1 57363963 RANQBVYBMIUFFK-UHFFFAOYSA-N 387.483 3.820 0 40 GHAB C[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1ccnc2ccc(Cl)cc12 57810279 ACQAOSMWXURCCY-AWEZNQCLSA-N 384.863 4.000 0 40 GHAB Cc1ccc(NC(=O)CN(C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 58296239 NFIMGCDYSSNNFC-UHFFFAOYSA-N 375.513 3.512 0 40 GHAB CCOC(=O)CN(Cc1ccc(C(F)(F)F)cc1)Cc1cn2ccsc2n1 60372431 JCRBOFFMRHTKAR-UHFFFAOYSA-N 397.422 3.980 0 40 GHAB CCCCn1c(SCC(=O)Nc2ccccc2F)nc2cc(C)[nH]c2c1=O 67238412 QUCWKDSDIGQEBP-UHFFFAOYSA-N 388.468 3.703 0 40 GHAB COc1ccccc1N1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 70711042 MITJJZIQRRLEBU-UHFFFAOYSA-N 390.936 3.931 0 40 GHAB CCOc1ccccc1N1C[C@H](C(=O)N(C)c2ccc3ccccc3n2)CC1=O 72296661 UBPJFXUJBCMIMO-QGZVFWFLSA-N 389.455 3.649 0 40 GHAB CCCC(=O)N1CCN(CCC)C(=O)[C@H]1Cc1cccc(-c2ccncc2)c1 72351698 JGHYJOSBEVNJJF-OAQYLSRUSA-N 379.504 3.541 0 40 GHAB Fc1ccccc1-c1ccccc1CN1CCn2c(nnc2[C@H]2CCCCN2)C1 72374075 MQAZUFCZZHJSOT-OAQYLSRUSA-N 391.494 3.915 0 40 GHAB COc1cc2nc(-c3ccc(N4CCCCCC4)cc3)[nH]c(=O)c2cc1OC 83925410 SVCQMKMLXFUQHR-UHFFFAOYSA-N 379.460 3.988 0 40 GHAB COc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc(Br)c1OC 85398413 WMSCFZJOXIZLMK-UHFFFAOYSA-N 377.194 3.708 0 40 GHAB Cc1nc(-c2ccccc2)ccc1C(=O)Oc1ccc(N(C)S(C)(=O)=O)cc1 95950165 BZZUXCLXBKIDRT-UHFFFAOYSA-N 396.468 3.672 0 40 GHAB CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)n1 95963008 VTEMFSNFFDLMRV-UHFFFAOYSA-N 396.468 3.707 0 40 GHAB O=C(C[C@@H]1CC2(CCN(CC3CCOCC3)CC2)c2ccccc21)NC1CCC1 96052789 KRSRWGMQCHDBHT-HXUWFJFHSA-N 396.575 3.993 0 40 GHAB COC(=O)[C@@H]1CCCCC[C@@H]1NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 97164449 JPKZMJYQGBGQCG-MOPGFXCFSA-N 392.927 3.656 0 40 GHAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(Nc2ccccc2)cc1 103580960 PGCZWVVZSXKUJE-RTBURBONSA-N 377.444 3.544 0 40 GHAB C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(Br)o1)[C@@H]1C[C@H]2CC[C@H]1C2 108335297 KJFXYJGNXRYXOF-RGGPVXAFSA-N 396.281 3.539 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccc1 128049253 IMAOMJFMJKOATO-UHFFFAOYSA-N 394.496 3.754 0 40 GHAB C[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 173275985 MGJKONGAAPFJMB-MRXNPFEDSA-N 386.517 3.571 0 40 GHAB Cc1nc(C2CC2)ncc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 222568059 FHBQICIBNHSQFV-UHFFFAOYSA-N 390.409 3.644 0 40 GHAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 222759045 QTQUCIJWVYZKJR-QZTJIDSGSA-N 379.441 3.642 0 40 GHAB COc1cccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c1 223059454 AOTATWXRFNDIIG-GOSISDBHSA-N 396.531 3.878 0 40 GHAB COc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 223093801 KQVMKAUJADVDMF-GOSISDBHSA-N 396.531 3.878 0 40 GHAB COc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1cccc2c1CCCC2 223984571 OXKUIOBVQPIVEL-IRXDYDNUSA-N 383.488 3.925 0 40 GHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 224083011 BOLFLQMOWOXNFL-IBGZPJMESA-N 398.572 3.906 0 40 GHAB CSc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C(C)C)cc2)cc1 224973927 YHUAZCPSKZWKOH-UHFFFAOYSA-N 379.503 3.812 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCC 225261012 WVEZLZZBDPLHBS-AWEZNQCLSA-N 383.330 3.883 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 225571030 GCMHHALVHKLOEO-QGZVFWFLSA-N 386.517 3.579 0 40 GHAB CN(C)C(=O)c1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 225579175 DGLIWWGKTLZHGB-KRWDZBQOSA-N 383.517 3.977 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)c(C)c1C 225703007 COFZFKBRLMMXJA-UHFFFAOYSA-N 375.475 3.631 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3snnc3-c3ccc(F)cc3)CC2)c1C 225781734 DZRAWXWEZYODRH-UHFFFAOYSA-N 396.491 3.923 0 40 GHAB O=C(COc1cccnc1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257225263 FFMZIZCIMLFPMN-QGZVFWFLSA-N 395.434 3.585 0 40 GHAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cnc(C)cn2)o1 257286064 PKAQJLNMVUYGOD-IBGZPJMESA-N 392.459 3.740 0 40 GHAB O=C(c1nccc2ccccc12)N1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257318490 VOEILUPNJJIRNA-MRXNPFEDSA-N 398.470 3.510 0 40 GHAB Cc1cc(Nc2ccnc(CC3CCC(NC(=O)OC(C)(C)C)CC3)n2)[nH]n1 257328019 XDUCBQZYXCWQHQ-UHFFFAOYSA-N 386.500 3.878 0 40 GHAB Cc1nc(C(=O)N2CCC3(CCc4ncc(-c5ccncc5)n4C3)CC2)cs1 306137267 QRERVUIOYRCECU-UHFFFAOYSA-N 393.516 3.579 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)NC2CCCCCCC2)ccc1OC 408587943 UZSLGICEDRBXFB-UHFFFAOYSA-N 384.498 3.655 0 40 GHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(SC)c2)ccc1C 408619661 IFQWJLKTZBAZJH-UHFFFAOYSA-N 378.519 3.658 0 40 GHAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(OC)c2)c1 408628893 XQMPSCYSPBGMKP-UHFFFAOYSA-N 391.880 3.824 0 40 GHAB FC(F)(F)c1cc(N2CCC(Nc3cc(C4CCC4)ncn3)CC2)ncn1 575615760 GMIVNRMTROGOFH-UHFFFAOYSA-N 378.402 3.634 0 40 GHAB Cc1nn(C)cc1-c1ccc2c(c1)C1(CCOCC1)CN2C(=O)C1(F)CCC1 585105813 PPEXCALGZKXDKL-UHFFFAOYSA-N 383.467 3.683 0 40 GHAB Cc1cccc(OCc2nc(N(C)CCc3ccccc3)ncc2C(=O)O)c1 585265743 QNLVBGZNVAGACJ-UHFFFAOYSA-N 377.444 3.741 0 40 GHAB CCCCN(C)C[C@@H]1[C@H](CC)CN(C(=O)Nc2cccc(Cl)c2)[C@@H]1CO 1772594919 GXMUEPPLOLYXBP-ATZDWAIDSA-N 381.948 3.923 0 40 GHAB CCc1ccc(NC(=O)CN2CCC(c3nc(-c4ccncc4)no3)CC2)cc1 1889205672 BDKCUQFAEAQIEN-UHFFFAOYSA-N 391.475 3.512 0 40 GHAB CCn1ccc2cc(C[C@@H]3CCCN(C(=O)C4CCN(C)CC4)CC3)cnc21 2037838603 QNYLCXIZJKTEOC-GOSISDBHSA-N 382.552 3.569 0 40 GHAB Cc1ccc(OCC2(O)CCN(C(=O)c3ccc(F)cc3F)CC2)cc1C 2037912944 FLFBSUYFOLGOIO-UHFFFAOYSA-N 375.415 3.628 0 40 GHAB CC(C)CCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccccc2)c1 683215 DDEJXMZBWOAGBH-UHFFFAOYSA-N 380.897 3.917 0 40 GHAB COc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21 789718 MAXKXFCAXVTFOH-UHFFFAOYSA-N 379.441 3.835 0 40 GHAB aggregator COc1ccc(OC)c([C@@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)c1 887208 HNVBBOWPECEXKO-FQEVSTJZSA-N 397.452 3.698 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)NCCc1c(C)[nH]c2c(C)cccc12 1074500 HJWNDFXERDTIIU-UHFFFAOYSA-N 386.517 3.931 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1ccc(-c2ccc3c(c2)OCCO3)nn1 1332310 CNQXCKUXXDKACE-GJZGRUSLSA-N 399.516 3.796 0 40 GHAB O=C(C1CCC1)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCC1 1358903 MCHKKUMZRVEUQC-UHFFFAOYSA-N 385.533 3.935 0 40 GHAB Cc1cc(=O)oc2cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)ccc12 1828410 LRSNDINAPZGYQL-QGZVFWFLSA-N 375.421 3.556 0 40 GHAB biogenic Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCCC(=O)O)c(C)c3cc2c1C 2103381 TYNFGTITQMIRRH-UHFFFAOYSA-N 399.443 3.686 0 40 GHAB biogenic COC(=O)[C@H](C)Sc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 2255892 TUFHWQJQBXBSEO-QMMMGPOBSA-N 384.548 3.918 0 40 GHAB Cc1c(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccccc2)n1C 2283658 WTBOKIMHUAUHOD-UHFFFAOYSA-N 395.303 3.554 0 40 GHAB biogenic CCCCNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 2648524 DICWIUQFENNSNT-UHFFFAOYSA-N 394.924 3.760 0 40 GHAB COc1ccc(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 2655774 JFNJGBACFQBYDW-UHFFFAOYSA-N 393.814 3.888 0 40 GHAB C[C@H]1CCCN(C(=O)c2ccc(-n3c(=S)[nH]c4ccccc4c3=O)cc2)C1 3043584 VNKIFKVSLLTICO-AWEZNQCLSA-N 379.485 3.920 0 40 GHAB CSc1nnc(-c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)n1C 3052099 DMRZYPYPFLUAOM-UHFFFAOYSA-N 381.288 3.721 0 40 GHAB CCOC(=O)[C@@](NC(=O)c1ccco1)(Nc1ccc(Cl)cc1)C(F)(F)F 3103588 CQONHQTXAFRPPM-HNNXBMFYSA-N 390.745 3.597 0 40 GHAB CCN(c1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)cc1)C(C)C 3249200 GIUDZTJIKVMUNP-UHFFFAOYSA-N 375.856 3.765 0 40 GHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1 3516977 SDCPODZRJHNTOC-UHFFFAOYSA-N 386.517 3.883 0 40 GHAB COCCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccccc1 3601304 VKPMOZORFIYAHI-OAHLLOKOSA-N 382.489 3.711 0 40 GHAB Cc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3)s2)c1 4392885 WHRWDTGJUOBZFL-UHFFFAOYSA-N 379.485 3.724 0 40 GHAB COc1ccc(CC(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1 4585404 DCWBNHKQIBJDNA-UHFFFAOYSA-N 399.450 3.884 0 40 GHAB CN(C(=O)C(C)(C)C)c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 4950355 CENLKNCFMZTECF-UHFFFAOYSA-N 380.488 3.659 0 40 GHAB O=C(CSc1nnnn1-c1ccccc1F)Nc1cccc2ccccc12 5015372 PTNBCIGIEWTFDG-UHFFFAOYSA-N 379.420 3.685 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)c1 5099245 JXCANZLSJVMADI-UHFFFAOYSA-N 380.444 3.645 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)n2nnc3sc4c(c3c2=O)CCCC4)c(C)c1 5183387 ZURMYDPRXJHTNI-CYBMUJFWSA-N 382.489 3.548 0 40 GHAB CCc1cccc2c(C(=O)CSc3nnnn3-c3cccc(F)c3)c[nH]c12 5796001 WAKKJPIKPPFCCD-UHFFFAOYSA-N 381.436 3.820 0 40 GHAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2cc(C)c(C)cc2C)C1=O 6589660 CJKIMSWDZRNIRP-HSZRJFAPSA-N 394.471 3.660 0 40 GHAB Brc1ccc([C@@H]2C[C@@H](c3ccc4c(c3)OCO4)n3ncnc3N2)cc1 6590498 SZTXTKLHJQQNGD-GJZGRUSLSA-N 399.248 3.916 0 40 GHAB COc1ccc(Cl)cc1C(=O)NC(=S)NC1C2CC3CC(C2)CC1C3 6646931 SKSBDKHMROOCHD-UHFFFAOYSA-N 378.925 3.778 0 40 GHAB CCOc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1ccccc1 6960894 JVNKYIVLGZFUKM-UHFFFAOYSA-N 384.501 3.874 0 40 GHAB O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCO2 7309514 BXVBVWZBVVMEQT-HNNXBMFYSA-N 379.865 3.637 0 40 GHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/c1ccc2ccccc2n1 7586831 XQJDBQQHSURIJR-FDMDGMSGSA-N 387.892 3.923 0 40 GHAB c1csc(-c2nnn(CN3CCC(c4nc5ccccc5s4)CC3)n2)c1 7778903 VEGPEMJYWBOKIL-UHFFFAOYSA-N 382.518 3.848 0 40 GHAB O=C(O)C[C@H]1Sc2nnc(-c3ccc(Cl)cc3)n2N=C1c1cccs1 8391799 GULWQMZMTANICX-GFCCVEGCSA-N 390.877 3.861 0 40 GHAB CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)CCc3ccccc3)ccc21 8840859 RJUDDQOFIYZRGE-UHFFFAOYSA-N 386.517 3.606 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CCCn1ccnc1 9187650 KSQQYAYFMKCVQV-FQEVSTJZSA-N 385.423 3.625 0 40 GHAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)cs2)cc1 10253014 FDVAHTZCXWTCQS-UHFFFAOYSA-N 386.498 3.785 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)Cc2csc(-c3cccs3)n2)n1 10421152 VKCFBDOXLWEAHX-UHFFFAOYSA-N 393.515 3.615 0 40 GHAB O=C(CC1CCCC1)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1 12145199 BFRNZYYUWDUZEK-QGZVFWFLSA-N 385.533 3.791 0 40 GHAB CC(=O)NC1(c2ccccc2F)CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 12188421 BCCJISZKEZHPHQ-HXUWFJFHSA-N 390.886 3.640 0 40 GHAB Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCCCN(C)C)o2)c1 12419263 ZOHJEGMDRAUFPT-UHFFFAOYSA-N 399.516 3.846 0 40 GHAB C[C@@H]1CCc2c(sc3ncn(Cc4noc(-c5cccs5)n4)c(=O)c23)C1 12552913 UIDLSBQALZYUQD-SNVBAGLBSA-N 384.486 3.743 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCc1cnn(-c2ccccc2)c1 12567065 DTCWVTXDVAFMBH-UHFFFAOYSA-N 399.498 3.708 0 40 GHAB Cc1ccc([C@@H](C)C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 12669067 VGXNNMKEZKOKBS-MRXNPFEDSA-N 376.460 3.950 0 40 GHAB CCN(CCCOc1ccc(F)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1 12780852 NLNKOTSFLXTZAB-UHFFFAOYSA-N 387.455 3.514 0 40 GHAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)COc1cccc(F)c1 12790048 OEEXLNNHAUONBR-UHFFFAOYSA-N 392.843 3.776 0 40 GHAB COC(=O)c1cnc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)s1 12936332 ATADICQRPIJBGV-UHFFFAOYSA-N 377.422 3.753 0 40 GHAB Cc1[nH]c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(C)c1C(=O)OC(C)C 14022354 RLMMHIAWDFGBQV-UHFFFAOYSA-N 397.519 3.591 0 40 GHAB Cc1cc(C)cc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c1 15391292 NDCZFVCIIMPDAJ-KRWDZBQOSA-N 392.546 3.937 0 40 GHAB Cc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 17144218 BPXUOULXXLAUFS-RWSFTLGLSA-N 392.912 3.657 0 40 GHAB CN(C)C(=O)[C@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccccc1 17539378 HRTWVAKGUJKTLP-HXUWFJFHSA-N 397.402 3.984 0 40 GHAB COc1ccccc1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19569715 BJIGFIJQFYPPDD-IMSXRSKXSA-N 396.506 3.904 0 40 GHAB COc1ccc(CCNC(=O)[C@@H](C)Nc2ncnc3sc(C)c(C)c23)cc1C 19571321 FWZGZKGUHDXCDH-CQSZACIVSA-N 398.532 3.784 0 40 GHAB CC(C)C(=O)N1CCC(Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)CC1 19700082 NZELVCGKRCHWBY-UHFFFAOYSA-N 393.531 3.644 0 40 GHAB CCOC(=O)c1n[nH]cc1-c1cncn1CC1(c2cccc(C)c2)CCOCC1 19719691 UIUZHBLODSPNJN-UHFFFAOYSA-N 394.475 3.507 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937714 MTUZIGIFKHRMAM-OAHLLOKOSA-N 395.890 3.770 0 40 GHAB CCN1CCC[C@H]1CN/C=C1/C(=O)N(c2cccc(C)c2)C(=O)c2ccccc21 20533400 MXYQRJPPABRVJK-QZMYASAMSA-N 389.499 3.597 0 40 GHAB Cc1nnc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)s1 21524664 BTWFRLWAVYIEAD-UHFFFAOYSA-N 393.428 3.581 0 40 GHAB CC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 22275890 ALCWEJQMFKBIMH-OAHLLOKOSA-N 394.924 3.758 0 40 GHAB CCOc1ccc(CN(C)C(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1OC 23038584 DVWNGTQJVYSLAM-FQEVSTJZSA-N 399.487 3.924 0 40 GHAB O=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1ccc(Cl)s1 23127721 SBYBHXYPNBOJLB-UHFFFAOYSA-N 390.983 3.654 0 40 GHAB O=C(NCc1ccccc1CN1CCOCC1)c1csc(-c2cccs2)n1 23883245 KWHWFXYDZMFIRF-UHFFFAOYSA-N 399.541 3.634 0 40 GHAB Cc1csc(SCc2nnc(C(=O)NCc3ccc(F)cc3)s2)n1 26034763 AZFYUERCZOHDSL-UHFFFAOYSA-N 380.495 3.664 0 40 GHAB C[C@H](NC(=O)NCc1cccnc1N1CCOCC1)c1ccc2ccccc2c1 26385380 MMQWPISAONEDHM-KRWDZBQOSA-N 390.487 3.632 0 40 GHAB COc1ccccc1OCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 27664299 NJNJKXGHPGIVFU-SFHVURJKSA-N 388.895 3.681 0 40 GHAB CN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)[C@H]1CCc2ccccc21 30977142 OFYJRGMXIRJGBH-NRFANRHFSA-N 387.483 3.882 0 40 GHAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(C/C=C/c4ccccc4)CC3)c2c1 32073878 TVPPQQBMTHCFRE-NPOAWEEOSA-N 389.499 3.933 0 40 GHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2cccc(OC(C)C)c2)nn1 32095453 ODAIFURWEFJHNQ-INIZCTEOSA-N 393.447 3.890 0 40 GHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N(C)Cc1nc2ccccc2s1 32748122 KHNSKYQQJBZYRY-CQSZACIVSA-N 383.473 3.570 0 40 GHAB O=S(=O)(Nc1ccccc1Cn1cccn1)c1ccc(C(F)(F)F)cc1 32833787 LRFCEZGVTGAQDX-UHFFFAOYSA-N 381.379 3.751 0 40 GHAB O=C(O)CC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 34245331 RVPIRNLBYNVMIY-NRFANRHFSA-N 389.451 3.886 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc2c3cc(C)ccc3n(C)c2n1 35313015 QEGYUSDWXYZFOV-UHFFFAOYSA-N 393.472 3.564 0 40 GHAB C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1ccccc1C(F)(F)F 40105991 ZQJKBMOZLBSDLR-CYBMUJFWSA-N 385.407 3.672 0 40 GHAB Cc1ccc(C(=O)Nc2c(N3CCCCC3)nc(-c3ccccc3)[nH]c2=O)cc1 41154970 NBAXWNDSHSSOFP-UHFFFAOYSA-N 388.471 3.988 0 40 GHAB Cc1nn(C)c(C)c1-c1nn2c(-c3ccc(Br)s3)nnc2s1 44901061 INJXIODAAJJSON-UHFFFAOYSA-N 395.311 3.694 0 40 GHAB C[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C(=O)c1ccc2c(c1)NC(=O)CO2 50018456 YUVZEWPXPKQDLE-XZJROXQQSA-N 399.830 3.589 0 40 GHAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CCc2ccc(O)cc2C1 52866345 VXXRFQIQPDXPAR-UHFFFAOYSA-N 395.484 3.883 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(OC(C)C)cc3)ccc21 55619421 PRSRFRYLGWFUNH-UHFFFAOYSA-N 388.489 3.574 0 40 GHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)C(C)C)c12 55738692 PQZKSENHTNDVHX-UHFFFAOYSA-N 389.459 3.983 0 40 GHAB COc1ccc(C(=O)[C@H](C)Sc2nnc(N3CCCC3)s2)cc1OC 58200974 DTJGMBJBPCCRTH-NSHDSACASA-N 379.507 3.519 0 40 GHAB CC(=O)Nc1nc2c(s1)CN(C(=O)C1(c3cccs3)CCCC1)CC2 70638363 YIMSEPLEQIIXOB-UHFFFAOYSA-N 375.519 3.560 0 40 GHAB CCc1ccc(-c2n[nH]c3c2[C@@]2(C(=O)O)C[C@@H](N3)c3cccc(OC)c3O2)cc1 72332285 JLMKBGWKQUMTJV-IVZQSRNASA-N 391.427 3.877 0 40 GHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C1 77100739 JYHJLNDBNODPAG-RTBURBONSA-N 388.489 3.666 0 40 GHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CN1CCCc2sccc2C1=O 84129084 LYHJIOXDHQEYFJ-INIZCTEOSA-N 386.517 3.868 0 40 GHAB CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 95351026 COBBKWXXVZHBLJ-KGLIPLIRSA-N 398.406 3.819 0 40 GHAB COCCCOC1CN(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)C1 95416226 CMQYKNDUFYCITB-UHFFFAOYSA-N 393.534 3.872 0 40 GHAB O=C(OCc1nc(Cc2ccccc2Br)n[nH]1)c1cccc(F)c1 96006858 DCHRNDXVIBMEBI-UHFFFAOYSA-N 390.212 3.654 0 40 GHAB CN(Cc1ccccc1)C(=O)[C@H](C(=O)c1ccc(Cl)cc1)n1ccccc1=O 199425043 AWCCYDDQYODGOZ-FQEVSTJZSA-N 394.858 3.584 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCc1ccc(OC)c(OC)c1 219357678 OKOKTUGSKGCDFB-IBGZPJMESA-N 387.476 3.619 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1C 223018964 QYLYYHBDNGYDMG-LEWJYISDSA-N 392.528 3.800 0 40 GHAB Cc1ccc(C)c(OCCNC(=O)COc2ccc(Br)cc2)c1 224015270 DOBSLLQZIYJPIJ-UHFFFAOYSA-N 378.266 3.640 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 224135121 MNEGKWZADQTTKQ-LJQANCHMSA-N 390.886 3.965 0 40 GHAB Cc1ccccc1CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C 224516049 QUQUWJVBQZBEAS-FQEVSTJZSA-N 380.532 3.770 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(CN2CCOCC2)cc1 224572490 RYHXDUKEWXWZOW-QHCPKHFHSA-N 396.531 3.609 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 224764564 MZYNFWPVBPELSK-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccccc1CN1CCCC1 224779915 ZLYUOYRQADGBIA-UHFFFAOYSA-N 396.915 3.695 0 40 GHAB O=C(O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1 225045922 IRIMLEAOMCPWGD-UHFFFAOYSA-N 375.833 3.773 0 40 GHAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C 225452658 SXWMPWPYIMERNV-JOCHJYFZSA-N 380.532 3.914 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)c(C)c1 225454556 IFIVYEFMYTXIMV-UHFFFAOYSA-N 394.500 3.844 0 40 GHAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1ccccc1Br 225621226 RHIUQLQODNRJPD-QGZVFWFLSA-N 375.266 3.742 0 40 GHAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)ccc21 225672443 MICIQBQMAJMTKZ-UHFFFAOYSA-N 389.285 3.708 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 225718393 DZHHQOQOHMWRCN-NRFANRHFSA-N 382.504 3.706 0 40 GHAB CCOc1cc(C=O)cc(Cl)c1OS(=O)(=O)c1ccccc1Cl 226233720 VNFJBFBCMWLCAR-UHFFFAOYSA-N 375.229 3.972 0 40 GHAB CCN1C(=O)[C@H](C(=O)N[C@H](C)c2ccccc2)[C@H]2C[C@@]1(C)Oc1ccccc12 239310098 IBJXYVQUQVHMFM-JXLZZSSXSA-N 378.472 3.625 0 40 GHAB O=C(c1ccc(F)c(F)c1)N1CCC2(CC1)OCC[C@@H]2CCOCC1CC1 247822717 IBKVMDVRYVJUAB-KRWDZBQOSA-N 379.447 3.793 0 40 GHAB Cc1cc(C(=O)N2CCC(C)(c3ncc(Cc4ccccc4F)o3)CC2)no1 257248405 JDNGNMDUPQYBEH-UHFFFAOYSA-N 383.423 3.895 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCCC[C@H]2C)n1 260739709 OLTUBNXODLFZQE-JKSUJKDBSA-N 390.601 3.787 0 40 GHAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(CCCCCF)c2ccccc12 299817113 DDVANTXQCRMRFF-FQEVSTJZSA-N 395.478 3.608 0 40 GHAB in-vitro O=C1c2cccn2[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]2N1Cc1cccs1 306133568 MPWQADSKGGGCPP-PMACEKPBSA-N 381.476 3.770 0 40 GHAB O=C(c1ccc(F)cc1Cl)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390831888 VSQCUSOAFPMVOR-KRWDZBQOSA-N 399.846 3.620 0 40 GHAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 409151827 HTFZJQXRKYPBLC-CQSZACIVSA-N 397.504 3.643 0 40 GHAB CN1CCO[C@H](CSCC(=O)N2c3ccccc3CCc3ccccc32)C1 567848904 CHBDRICRFXAHFL-IBGZPJMESA-N 382.529 3.514 0 40 GHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2[C@H]3CC[C@H]2CC(N)C3)o1 572878531 OFEISDKETKAEGK-BVRFTUQKSA-N 390.487 3.686 0 40 GHAB O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N1C[C@]2(CCCO2)[C@H]1C1CC1 574648299 YGBSUBBLTAGFQX-DYESRHJHSA-N 398.438 3.928 0 40 GHAB Cc1ccccc1[C@@H]1C[C@H](C)N([C@H](C)C(=O)NCc2ccc(C(=O)O)cc2)C1 574762988 CYBHMDUFPSMAOR-SQGPQFPESA-N 380.488 3.576 0 40 GHAB COc1ccc(C2(C(=O)N(C)Cc3cccc(OC)n3)CC3(CCC3)C2)cc1 585082037 TULRTIPDWFMVEZ-UHFFFAOYSA-N 380.488 3.959 0 40 GHAB COc1ccccc1OCC(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 606440682 OPUQHZWFYRKBOB-ZDUSSCGKSA-N 389.498 3.714 0 40 GHAB CC(C)c1oc([C@@H]2CCCN2C(=O)CNC(=O)C2CC2)nc1-c1ccccc1 607038994 CFKCJRCVWCJKTL-KRWDZBQOSA-N 381.476 3.655 0 40 GHAB Cc1noc([C@H]2CN(C(=O)N[C@@H](c3ccccc3Cl)C(C)C)C[C@@H](C)O2)n1 623617906 UZQFNJIVQPPBIG-CSMYWGQOSA-N 392.887 3.900 0 40 GHAB CC(=O)N(C)C1CCC2(CC1)CN(Cc1cscn1)Cc1ccccc1O2 643913504 YKTCNRIUYPYNTP-UHFFFAOYSA-N 385.533 3.697 0 40 GHAB O=C1C[C@H](C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)[C@@H]2CCCC[C@@H]2N1 666456821 XDNKPFJNYLOVLY-UFYCRDLUSA-N 392.503 3.520 0 40 GHAB Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2onc3c2CCCC3)c1C 667079391 SPRDLQPYPXLWDS-UHFFFAOYSA-N 378.476 3.937 0 40 GHAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCC(C)CC2)n1 1505840746 YSDQXJOIRYAUPE-GQOXECLESA-N 379.504 3.882 0 40 GHAB Cc1ccc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c(C)c1 1615118427 CEAGJKWDFDICOW-QHCPKHFHSA-N 382.479 3.841 0 40 GHAB CN(CCO)C(=O)CCc1ccc2c(c1)C[C@@](C)(Cc1ccc(Cl)cc1)O2 2037872553 AUVHGNVAAVEKGF-JOCHJYFZSA-N 387.907 3.660 0 40 GHAB CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC 860633 RQSPMVBOOUPEMX-VZUCSPMQSA-N 382.460 3.582 0 40 GHAB COc1ccc(-c2cc(-c3nn4c(-c5ccco5)nnc4s3)no2)cc1F 12408006 IUONOBRGBPBMKQ-UHFFFAOYSA-N 383.364 3.916 0 40 GHAB Cc1ccc(NC(=O)c2c(NC(=O)CCC(=O)O)sc3c2CCCC3)cc1 722396 QFUMXDLOSJBVFR-UHFFFAOYSA-N 386.473 3.991 0 40 GHAB CC(C)OC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@@H](C)CC4 929550 QAXGKGMSBFSLFD-JTQLQIEISA-N 376.507 3.508 0 40 GHAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)C(F)(F)F)c(=O)[nH]c12 1346760 CMECUZYABUTPSH-UHFFFAOYSA-N 380.391 3.989 0 40 GHAB Cc1cc2ncn(C[C@@H](NC(=O)c3cccc(CN(C)C)c3)C3CC3)c2cc1C 79045750 LUZHLYSRHYLCRP-JOCHJYFZSA-N 390.531 3.923 0 40 GHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 1962551 YFVPVLGOHYGMEQ-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccc(F)cc3)cc2c1 4231335 BTRVAYZOBLMGEM-UHFFFAOYSA-N 396.466 3.571 0 40 GHAB CCCCN1C(=O)[C@H]2ON(c3ccccc3C)[C@H](c3ccc(OC)cc3)[C@H]2C1=O 4279911 UQWSVJQDAOICJZ-NJYVYQBISA-N 394.471 3.650 0 40 GHAB Cc1cccc(Oc2ccccc2NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 6610597 NDNJYFQGEQFDCW-UHFFFAOYSA-N 393.443 3.590 0 40 GHAB CCCCc1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 6652966 FBDBFYAQNZOSRL-UHFFFAOYSA-N 378.469 3.573 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(F)cc1 1249119 PELKUJBUNHQPMC-SFHVURJKSA-N 385.464 3.656 0 40 GHAB Cc1cc(NC(=O)CN[C@H](C)c2ccc(F)cc2F)n(-c2ccc(F)cc2)n1 24768247 TUKDCMSWXQRGIR-CYBMUJFWSA-N 388.393 3.887 0 40 GHAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1 8414217 KAGVTQPLDLJSBI-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB Cc1cccc(N(CCCC(=O)NC2CCCCCCC2)S(C)(=O)=O)c1 8496540 QOKRKKCNEJWHGJ-UHFFFAOYSA-N 380.554 3.770 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]1c1cccc(Br)c1 55785415 KEYYXEHAZBLYPF-QGZVFWFLSA-N 376.298 3.706 0 40 GHAB COc1ccc2c(c1)CCCN2C(=O)CSc1nnc(NCC(C)C)s1 29518601 WPJZFTSFNOJIMA-UHFFFAOYSA-N 392.550 3.686 0 40 GHAB C[C@H](NC(=O)c1c(Br)c(C(F)(F)F)nn1C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101988330 KHLWMNDVTGHUOK-JLIMGVALSA-N 394.235 3.756 0 40 GHAB Cc1sc2nc(COC(=O)CCc3nc4ccccc4s3)[nH]c(=O)c2c1C 3288580 KWWZTMYBANUTHE-UHFFFAOYSA-N 399.497 3.887 0 40 GHAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)C2=O 3273644 GSLTTYHVRMTKJG-MWTRTKDXSA-N 391.471 3.793 0 40 GHAB COC(=O)c1c(NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)sc2c1CCC2 57315231 RHZOCEDKSPGGGU-JTQLQIEISA-N 394.443 3.591 0 40 GHAB FC(F)(F)c1cccc(OCCNC(=S)Nc2ccc3c(c2)OCCO3)c1 44232435 FQFLHEDZOFGQTK-UHFFFAOYSA-N 398.406 3.842 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCOc3ccc(C)cc3C)C2)nc1 48291083 KMFXBOSXDOHKQU-LJQANCHMSA-N 395.503 3.653 0 40 GHAB COCCOC(=O)Nc1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1 58172569 CGXMXJIZZHNKAY-UHFFFAOYSA-N 377.828 3.586 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 12795655 QRZQKEOSCHNLBV-LJQANCHMSA-N 383.444 3.842 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(F)cc1F 103489918 OCMHPZYEMFWELX-MRXNPFEDSA-N 394.830 3.721 0 40 GHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 20490719 WZUXMSIRLJEUTG-GFCCVEGCSA-N 396.896 3.601 0 40 GHAB CCOc1ccc(CCC2CCN(C(=O)[C@H](C)NC(=O)c3ccoc3)CC2)cc1 48361870 CFOHZQIXDKCHCW-KRWDZBQOSA-N 398.503 3.668 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nc3ccccc3n2Cc2ccccc2)cc1 27923167 LSNCTRQQPIWCMG-UHFFFAOYSA-N 393.468 3.894 0 40 GHAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1 2417156 LZIGMMFJFOMEJF-FQEVSTJZSA-N 376.456 3.680 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2C)cc1OC 12866130 LKADAVHMROYYSR-QGZVFWFLSA-N 375.490 3.846 0 40 GHAB COc1cc(NC(=O)C2=Cc3cc(Br)ccc3OC2)cc(OC)c1 11652262 UPNOJPXFXFRZFE-UHFFFAOYSA-N 390.233 3.881 0 40 GHAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc2cc(Cl)ccc2o1 29476018 GNPZRWRUURSNKJ-LLVKDONJSA-N 392.864 3.567 0 40 GHAB CC(=O)c1sc(NC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)nc1-c1ccccc1 46130445 BOXDDQXVMAOQJT-INIZCTEOSA-N 399.516 3.846 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1 28304730 LPSYEZRHIWNVCW-UHFFFAOYSA-N 381.866 3.709 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)N(C)Cc2ccc(Br)cc2)cc1 3456896 ZLEYGWYSYFXMNX-CQSZACIVSA-N 391.309 3.594 0 40 GHAB Cc1ccc(OCCOC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 2644391 CVXCODRZTKKLOC-UHFFFAOYSA-N 392.455 3.667 0 40 GHAB Nc1cccc2c1C(=O)N(C(=O)c1cc(-c3cccs3)nc3ccccc13)C2=O 2664234 SBQVOUXBYHSRJU-UHFFFAOYSA-N 399.431 3.982 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)nc1 46819932 MAUBLQULZSKARA-MRXNPFEDSA-N 397.906 3.952 0 40 GHAB O=C1CCCN1c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Cl 12946405 MSNOSGAALDACJY-UHFFFAOYSA-N 386.807 3.546 0 40 GHAB O=C(Nc1cccc2ncccc12)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12933952 XYBCIWMWRXSTOE-INIZCTEOSA-N 377.419 3.865 0 40 GHAB CC(C)Oc1cc(NC(=O)CSCC(=O)N(C)C)c(Cl)cc1Cl 4013188 XFLAWFAFFWSFFR-UHFFFAOYSA-N 379.309 3.541 0 40 GHAB CCc1nc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)sc1C 49551542 KIQXGAJDEGWZOW-UHFFFAOYSA-N 383.473 3.544 0 40 GHAB CCc1ccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 4122750 DLQGMVLYOBIUSB-UHFFFAOYSA-N 384.348 3.907 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)cc2)cc1 4321377 KCVRQRAELFLXFH-UHFFFAOYSA-N 380.473 3.818 0 40 GHAB O=C(CCCn1cnc2ccccc2c1=O)Nc1cccc(Br)c1 5267501 GVTVWBCRYSMBLS-UHFFFAOYSA-N 386.249 3.578 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ncc[nH]2)cc1 4457894 SRWCHOONAILCRP-UHFFFAOYSA-N 391.427 3.850 0 40 GHAB C[C@H](Sc1nccn1C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 5358928 CFUBKZQZRZQNKI-VIFPVBQESA-N 380.445 3.941 0 40 GHAB O=C(Nc1ccccc1Cl)C1CCC(Cn2nnc3ccccc3c2=O)CC1 5303309 SJOYMPIYWAHEJF-UHFFFAOYSA-N 396.878 3.890 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3ccccc3cc2OC)c1 20048759 QHBHREXGIVFDKA-UHFFFAOYSA-N 393.395 3.674 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(OC(C)C)c2)NC(=S)N1 4546537 PWOVTANQRAKRLA-LJQANCHMSA-N 381.501 3.905 0 40 GHAB C[C@@H](NC(=O)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O)c1ccccc1 4679501 KOWUCHDHQCOKQA-FOIQADDNSA-N 394.858 3.803 0 40 GHAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)c1ccc(F)c(F)c1 4895004 DHTGRRORKFGWIH-NSHDSACASA-N 375.400 3.918 0 40 GHAB CCOc1ccc(N/C=C(\C(=O)OC)S(=O)(=O)c2ccc(C)c(C)c2)cc1 67340524 JIZYGELPPGYDOQ-CPNJWEJPSA-N 389.473 3.602 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc23)c(OC)c1 16348885 CXRCCDJOKODULK-UHFFFAOYSA-N 381.457 3.687 0 40 GHAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1C 113958210 OONCUGOHYNDLJF-UHFFFAOYSA-N 386.517 3.976 0 40 GHAB CC(=O)c1ccc(N2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 16553400 XYNBGDPENXJHDI-UHFFFAOYSA-N 396.878 3.915 0 40 GHAB CCSc1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 20043057 OFUWYUWNELJZQT-UHFFFAOYSA-N 398.937 3.857 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1N1CCCC1=O 8127771 LZAFYKUAOMPSIO-UHFFFAOYSA-N 399.878 3.556 0 40 GHAB C[C@@H](NCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2 8749979 RLTFDQRDUAMEQV-MRXNPFEDSA-N 379.504 3.663 0 40 GHAB O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(c3ccccc3F)CC2)[nH]1 9668956 ZZHMZZCSRYEYFG-UHFFFAOYSA-N 384.842 3.556 0 40 GHAB O=C(/C=C/c1ccco1)N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 8869759 RZWAQQIVDZGADQ-GNISGLHKSA-N 395.480 3.662 0 40 GHAB CCOC(=O)c1cnc(/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)O)c1 95455299 PLPUAWMWVFVLKS-GQCTYLIASA-N 376.752 3.689 0 40 GHAB CCN(C)[C@H](C(=O)Nc1cccc(-n2c(C)n[nH]c2=S)c1)c1ccccc1 95448363 RTWMKOGUQMRJFC-SFHVURJKSA-N 381.505 3.870 0 40 GHAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 89420098 VMTFKDUQTGFHSD-DGCLKSJQSA-N 393.846 3.913 0 40 GHAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cccnc1N1CCCC1 23731937 SHCVUPZVACRMLQ-UHFFFAOYSA-N 378.520 3.598 0 40 GHAB CCOc1cc([C@H]2NC[C@@H](C(=O)O)S2)ccc1OCc1cccc(F)c1 408975914 CRRQZTGNGDNEME-ROUUACIJSA-N 377.437 3.592 0 40 GHAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccc(F)cc1Cl 1561738810 VTGAOTMSLOVBRV-KRWDZBQOSA-N 379.840 3.644 0 40 GHAB CCN1C(=O)/C(=C\c2ccc(O)c(I)c2)c2ccccc21 409112420 GLHHAHKXBDLVAQ-LCYFTJDESA-N 391.208 3.904 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(C)c(C)c3)n2)c(OC)c1 218812539 SPQHPJZCWFUTOW-UHFFFAOYSA-N 395.459 3.572 0 40 GHAB O=C(CN1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCCC1 72358555 KBZCOASWSXORCP-QGZVFWFLSA-N 384.911 3.599 0 40 GHAB Cc1ccc(CNC(=O)Cn2ccc3ccn(Cc4cccc(C)c4)c3c2=O)cc1 62007339 PNCCITGKEKDQKS-UHFFFAOYSA-N 399.494 3.785 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCCCC3)nc2)cc1 72216051 SZZSEYQPNMIJJQ-HXUWFJFHSA-N 385.533 3.906 0 40 GHAB CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 72379044 QTFUYARYJGKRRY-OAHLLOKOSA-N 381.505 3.614 0 40 GHAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 72216193 DFPKZXKJYVRAMF-FQEVSTJZSA-N 381.476 3.782 0 40 GHAB NC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cccc3cccnc23)C1 72352541 WZUDIVDGTBRGGG-OAHLLOKOSA-N 388.496 3.933 0 40 GHAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cccc2Cl)c1=O 44840743 ZALVVSXWELHIOH-AWEZNQCLSA-N 399.878 3.735 0 40 GHAB CCn1cc(CN2CC[C@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)c(C)n1 72371595 AZFFEZJLIRQADH-KRWDZBQOSA-N 397.498 3.685 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 72354809 YUVSKESNDIMVQJ-IBGZPJMESA-N 394.425 3.910 0 40 GHAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1(c2ccccc2)CCOCC1 224395195 ZOLHHACVUIBWCM-UHFFFAOYSA-N 397.862 3.755 0 40 GHAB COc1ccc(CCNc2ccccc2S(=O)(=O)C(F)(F)F)cc1OC 46607306 COEMOXARCHYYQH-UHFFFAOYSA-N 389.395 3.652 0 40 GHAB CC(C)C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 225319455 NNWXKBIMRNATQA-VQTJNVASSA-N 388.533 3.523 0 40 GHAB C[C@H](C(=O)Nc1ccc2c3c(cccc13)CC2)N(c1ccccc1)S(C)(=O)=O 223706597 NZEBAXAOAAHGSE-OAHLLOKOSA-N 394.496 3.732 0 40 GHAB COc1ccc(-c2nnc(NS(=O)(=O)Cc3cccc(Cl)c3)s2)cc1 224426976 XKGOGLGOIKCAFD-UHFFFAOYSA-N 395.893 3.809 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1 225168061 PYPATJYLSPPQRQ-QGZVFWFLSA-N 386.467 3.538 0 40 GHAB S=C(NCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc2c(c1)OCO2 225832860 PIBFHHQAADYXFP-UHFFFAOYSA-N 388.836 3.605 0 40 GHAB O=C(O)c1ccc(CN(Cc2ccco2)C(=O)c2ccc3[nH]c(Cl)nc3c2)o1 225980617 GNVSOWGSRDCSGJ-UHFFFAOYSA-N 399.790 3.943 0 40 GHAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)N2CCCCCC2)c1 224168275 IJIOLLHXIYFWNL-UHFFFAOYSA-N 390.480 3.667 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 224892348 MNCXCUGFYPSIKB-OXQOHEQNSA-N 388.533 3.671 0 40 GHAB C[C@@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccco3)n2)C1 225913918 SBJBGJCULSJITH-VXGBXAGGSA-N 379.917 3.692 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 222630783 MNRJGJUBCSOVBZ-MRXNPFEDSA-N 388.508 3.531 0 40 GHAB Cc1cc(N2CCN([C@H](c3ccccc3)c3ccccc3C)CC2)n2ncnc2n1 223478031 IBKGZNNTGRQKNE-HSZRJFAPSA-N 398.514 3.653 0 40 GHAB CCc1ccc(CN2CCC3(CC2)C[C@@H](N(C)Cc2cccnc2)CO3)cc1 96220892 UPHRYGNHKDMVAZ-HSZRJFAPSA-N 379.548 3.900 0 40 GHAB COC(=O)c1cncc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)c1 543153600 LVYFCBFNYQUPHH-UHFFFAOYSA-N 391.305 3.794 0 40 GHAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3scnc3C)CCO2)n1 257248357 JDIACIVSYYHLCE-QGZVFWFLSA-N 398.488 3.586 0 40 GHAB CNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)OC(C)(C)C)ccc2c1N 257258207 KSURWOVDNHHQLR-ZDUSSCGKSA-N 390.509 3.700 0 40 GHAB CC(C)(C)C(=O)N1CCC(Cc2nccnc2-c2ccc(C(=O)O)cc2)CC1 257282802 OVJLANHOXHWNIF-UHFFFAOYSA-N 381.476 3.669 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H]2CCc2cncc(-c3c(C)noc3C)n2)cn1 257316704 VGQMJDDRHLIVEW-IBGZPJMESA-N 391.475 3.689 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(Oc2ccc(Cl)cn2)CC1 96024915 UQYQHXOGFJTMFG-QHHAFSJGSA-N 386.835 3.547 0 40 GHAB O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1cccc2nsnc12 390831174 QGVFWQQMGSXQQD-AWEZNQCLSA-N 393.540 3.882 0 40 GHAB CC(C)C[C@@H](O)C(=O)N1CCC[C@]2(CCCN2Cc2cc(F)ccc2F)CC1 585100375 KMXFBALNFOBJGJ-IRLDBZIGSA-N 394.506 3.719 0 40 GHAB COc1ccc(OC)c(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 30869153 USQDGEGWNROKGA-UHFFFAOYSA-N 388.895 3.639 0 40 GHAB Cn1c(=O)n(C)c2cc(NC(=O)CCSc3ccc(Cl)cc3)ccc21 5016082 NHVBZJILVJLSAL-UHFFFAOYSA-N 375.881 3.651 0 40 GHAB Cc1ccc(C)c(OCC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c1 5511684 OUGXGVCFGAETCQ-UHFFFAOYSA-N 381.259 3.744 0 40 GHAB O=S(=O)(c1cccs1)N1CCC(c2nc(-c3ccccc3F)no2)CC1 12415380 PWEYYPICCBHBNL-UHFFFAOYSA-N 393.465 3.506 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSCc1ccc(C)cc1 12871603 WBPSEAIZURBJJI-UHFFFAOYSA-N 392.471 3.994 0 40 GHAB CCCCN1C(=O)N[C@@H](c2ccc(OC(F)F)c(OC)c2)C(C(=O)OC)=C1C 14244727 XCEYSDZBZIIUTG-INIZCTEOSA-N 398.406 3.610 0 40 GHAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)c(O)n1 16777017 NVQUGAZDLXRMMW-UHFFFAOYSA-N 386.864 3.937 0 40 GHAB COc1ccc2nc(S[C@@H](C)C(=O)c3ccc4c(c3)CCN4C(C)=O)[nH]c2c1 16804642 MSKOXQQCKDDEFZ-LBPRGKRZSA-N 395.484 3.844 0 40 GHAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCc1nc(-c2ccccc2)cs1 19080201 KMRJEERRLDFUTN-AWEZNQCLSA-N 396.468 3.665 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cscn3)cc2n1 19522322 CCUOJTAOJWZQSC-CYBMUJFWSA-N 395.410 3.744 0 40 GHAB CCCOc1ccccc1CN1CCc2nc([C@H]3CCCCN3C)ncc2C1 19525171 AOLYXUGVFWVZPY-OAQYLSRUSA-N 380.536 3.981 0 40 GHAB COc1ccc([C@H]2CCCN2C[C@@H](O)c2cc(F)ccc2OC)cc1OC 19559137 GIGZBXOXQFJCKF-QZTJIDSGSA-N 375.440 3.722 0 40 GHAB Cc1nn(C)cc1CN1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 19687416 FEGAFFZVPBMJJT-HXUWFJFHSA-N 394.498 3.728 0 40 GHAB CN(C)C(=O)c1ccc([C@@H]2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)nc1 19705892 YKHBNGGICNCRMZ-LJQANCHMSA-N 393.531 3.877 0 40 GHAB COc1cccc([C@@H]2CN(C(=O)CC3CCCC3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 19712804 GWQIFOAIIBPOSB-MZKRTTBSSA-N 384.520 3.629 0 40 GHAB Cc1cc2c(cc1C)OC1(C=C2)CCN(CC(=O)Nc2ccnn2C(C)C)CC1 12187930 TUIOQQBMAVDJFU-UHFFFAOYSA-N 394.519 3.960 0 40 GHAB O=C(N[C@H](C1CC1)C(F)(F)F)c1cnnn1-c1c(Cl)cccc1Cl 562899951 WMCNKIPWWHJLAL-GFCCVEGCSA-N 379.169 3.645 0 40 GHAB COc1cc(-c2noc(CN3CCCc4occc4C3)n2)ccc1OC(F)F 585083913 BXULCBLRPXVQNI-UHFFFAOYSA-N 391.374 3.888 0 40 GHAB CN(Cc1ccccc1Br)C(=O)c1cncc(Br)c1 12917880 XUEPTCHGBALNIY-UHFFFAOYSA-N 384.071 3.879 0 40 GHAB CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 24911310 NQMAJZAUPLMYNL-CRAIPNDOSA-N 394.471 3.769 0 40 GHAB CN1CCNC[C@@H](Cc2cccc(Nc3ncc(-c4ccccc4)s3)n2)C1 2037845741 JCWAEPSZPKEQHO-MRXNPFEDSA-N 379.533 3.642 0 40 GHAB O=C(c1ccsc1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@]21CCOC1 1565542997 VFCCCGADJIWPSI-QHCPKHFHSA-N 396.556 3.893 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3ccccc3)nn2)c1 4355357 PGNUPYGNZMQZLZ-UHFFFAOYSA-N 378.457 3.833 0 40 GHAB C[C@H](NC[C@@H](O)COc1c(F)cc(Br)cc1F)c1ccccc1 6007600 PLLQKDLCQSSRKO-SMDDNHRTSA-N 386.236 3.818 0 40 GHAB O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1cccs1)c1ccccc1 9131222 GOOVUIFPFTZZNV-CQSZACIVSA-N 383.498 3.803 0 40 GHAB O=C(CSc1nnc(NC(=O)Nc2ccccc2)s1)Nc1ccccc1 9744098 PREPOIQVMMWSGQ-UHFFFAOYSA-N 385.474 3.913 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCC2)c(C)c1 13804545 ZNMAZKWMQWBGRU-UHFFFAOYSA-N 392.546 3.805 0 40 GHAB Cc1nc(CN2CCC(Nc3cccc(F)c3)(C(=O)NC(C)C)CC2)cs1 2055739311 QULGUZIVABBLRU-UHFFFAOYSA-N 390.528 3.562 0 40 GHAB c1cc2sc(N3CCC(COc4cc5c(nn4)CCCC5)CC3)nc2cn1 1775969452 SJAGBJJAONUNOM-UHFFFAOYSA-N 381.505 3.656 0 40 GHAB Cc1cc(C)n(-c2cc(SCC(=O)Nc3ccc(F)c(Cl)c3)ncn2)n1 49404168 QGQMJCALAIKHFS-UHFFFAOYSA-N 391.859 3.802 0 40 GHAB COC(=O)c1sccc1NC(=O)CCc1ccc(OC)c(Br)c1 40059863 DZDDHXBXWAZEFL-UHFFFAOYSA-N 398.278 3.877 0 40 GHAB CCOC(=O)c1cnn(-c2cccc(NC(=O)Cc3ccc(OC)cc3)c2)c1C 40087981 QMMUMNKWOJGIPU-UHFFFAOYSA-N 393.443 3.547 0 40 GHAB O=C(CCc1ccccc1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 40121998 OUSPRVVPXFLTSI-UHFFFAOYSA-N 390.405 3.623 0 40 GHAB O=C(Cc1ccccc1)Nc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1Cl 100647942 CNVKMNYNGUBJLS-IAGOWNOFSA-N 394.858 3.977 0 40 GHAB CC[C@@H]1CO[C@@H](C)CN1C(=O)COc1ccc(Br)cc1Cl 32674187 CJDYRADRYCYFAH-CMPLNLGQSA-N 376.678 3.507 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)CSc1nc(C2CC2)nc(C)c1C(C)=O 32908169 LYEVBFLAGUOLJI-GFCCVEGCSA-N 399.516 3.843 0 40 GHAB CCCCCn1c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nc2ccccc21 32910730 AALFYBLHKDXOKE-HZPDHXFCSA-N 375.538 3.954 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)c3ccccc3C)cc2c1 790365 LZPZBIUEHVSPHB-HXUWFJFHSA-N 390.483 3.966 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3oc(C)c(C(C)=O)c3c2)c1 816395 YOHIIUPOQRBNOW-UHFFFAOYSA-N 389.429 3.762 0 40 GHAB CCN1CCN(c2ncnc3c2oc2nc(CC(C)C)c4c(c23)CCC4)CC1 2235993 TXCXTGPHBQYYIB-UHFFFAOYSA-N 379.508 3.600 0 40 GHAB CCSc1nc2nc3c(cc2c(=O)n1Cc1ccccc1)COC(C)(C)C3 2277438 YEQIFGALEBUNLD-UHFFFAOYSA-N 381.501 3.803 0 40 GHAB CCCCOc1ccccc1/C=c1/sc2nc(-c3cccc(C)c3)nn2c1=O 2397802 KAYLQHBDABLLMP-XMHGGMMESA-N 391.496 3.853 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)sc2c1CCCC2 2708376 UGIUUZDDVXKLCU-OAHLLOKOSA-N 399.468 3.524 0 40 GHAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1C 3325712 HYJCAXKATKBGLW-UHFFFAOYSA-N 397.475 3.828 0 40 GHAB Cc1cccc(-n2c(C)nnc2SCC(=O)c2ccc3c(c2)OCCO3)c1 4500540 KECUFYBEDDQKGN-UHFFFAOYSA-N 381.457 3.630 0 40 GHAB Cc1cccc(C(=O)N(CCCN(C)C)c2nc3cc4c(cc3s2)OCO4)c1 5122446 RHLBGXGEYDRABC-UHFFFAOYSA-N 397.500 3.932 0 40 GHAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)Nc1cccc(Cl)c1 5168446 YXQSSDCKYMUMLW-UHFFFAOYSA-N 396.863 3.571 0 40 GHAB CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(C)ccc3C)n2)cc1 5396154 WHWCRPLEZYLHFC-UHFFFAOYSA-N 377.444 3.565 0 40 GHAB O=C(NC1CCCCCC1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5439415 SNZNGRCDQVTEEQ-UHFFFAOYSA-N 384.929 3.723 0 40 GHAB COc1ccc(NC(=O)CSCC(=O)Nc2cccc(Cl)c2C)cc1 5463757 RPGMBGHVQXRXSE-UHFFFAOYSA-N 378.881 3.967 0 40 GHAB CCc1nnc(NC(=O)c2sc3nc(C)cc(C(F)(F)F)c3c2N)s1 5695303 ZFZQFZPWPCIMEA-UHFFFAOYSA-N 387.412 3.872 0 40 GHAB CCOC(=O)c1cnc2ccc(Br)cc2c1NCCCCCO 5958551 VVFOOZFWZLTZGN-UHFFFAOYSA-N 381.270 3.749 0 40 GHAB CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 6094160 WMCYQQPKXSGQRG-UONOGXRCSA-N 399.491 3.914 0 40 GHAB COc1ccc(-c2cc(C(=O)NCCCN(C)C)c3ccccc3n2)cc1OC 6125831 LZYMGTATCCDJBH-UHFFFAOYSA-N 393.487 3.601 0 40 GHAB CCOC(=O)[C@](O)(CC)c1cc[n+](Cc2cc3ccccc3nc2Cl)cc1C 6424707 HTMARNDGEJABCY-QFIPXVFZSA-N 399.898 3.693 0 40 GHAB CCc1ccc(NC(=O)[C@@H]2Sc3nnc(CC)n3N[C@H]2c2ccccc2)cc1 6811829 IRHJTHCDSAUXGE-RBUKOAKNSA-N 393.516 3.801 0 40 GHAB CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1)S2 6812136 YAIHBKIIWMETAJ-QZTJIDSGSA-N 379.489 3.628 0 40 GHAB COCc1c(C(=O)OCC(=O)N2CCCC[C@@H]2C)sc2cccc(F)c12 6850970 DPMSSLXPNOGEIE-LBPRGKRZSA-N 379.453 3.745 0 40 GHAB CN(Cc1cccs1)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 6862430 FYLWABXDRIQCMH-UHFFFAOYSA-N 376.437 3.821 0 40 GHAB Cc1cc(C)cc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c1 6876332 JYFXYHHFSADRHT-UHFFFAOYSA-N 380.400 3.842 0 40 GHAB COc1cc(C(=O)N[C@H](c2ccccc2)c2ccncc2)cc(OC)c1OC 6977980 UUXHFOJLXAGANK-HXUWFJFHSA-N 378.428 3.627 0 40 GHAB CN1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)CC1 7105319 MODLJJKIFKGWEL-UHFFFAOYSA-N 387.911 3.888 0 40 GHAB O=C(CCCOC(=O)c1ccc(O)cc1O)c1ccc(Br)cc1 7255269 FGFIMMPAQOPYJB-UHFFFAOYSA-N 379.206 3.680 0 40 GHAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1cc(-c2ccccc2)on1 7733064 GJWUKKZUHBMXFV-QFIPXVFZSA-N 392.455 3.768 0 40 GHAB O=C(CCc1nc2ccccc2o1)OCC(=O)c1ccc(Br)cc1 8406034 RVDKJUKYQAZVJR-UHFFFAOYSA-N 388.217 3.949 0 40 GHAB C[C@H](OC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)NCc1cccs1 8546739 GCBWJILTKBQRDA-INIZCTEOSA-N 386.517 3.596 0 40 GHAB Cn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1cccnc1 8704818 COVRFSKTIUUXFH-SFHVURJKSA-N 393.516 3.723 0 40 GHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(C)ccc4OC)ccc1c23 8715840 UKQMPBWBMPBNEO-UHFFFAOYSA-N 396.468 3.938 0 40 GHAB CC(C)c1ccc(CN(C(=O)Cn2cnc3sccc3c2=O)C2CC2)cc1 9256436 KFHISAFMTRKJTR-UHFFFAOYSA-N 381.501 3.773 0 40 GHAB CCn1c(C)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br 9328384 KDCXCBYUSIJKKW-UHFFFAOYSA-N 383.315 3.717 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)N3CC=C(c4ccccc4)CC3)CC2=O)cc1 10053858 QNCYYWJTERZFFA-FQEVSTJZSA-N 390.483 3.754 0 40 GHAB Cc1ccc(C(=O)N[C@@H](C(=O)NCC2(c3ccccc3)CCC2)C(C)C)cc1 10221438 ADBSMRXWKMNPGI-OAQYLSRUSA-N 378.516 3.988 0 40 GHAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)CC1 11181890 VHSITMKDWXAPOU-UHFFFAOYSA-N 397.475 3.755 0 40 GHAB CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1c(=O)[nH]c2ccccc2c1=O 11867244 SRYUHCCLNLLHSX-OAHLLOKOSA-N 392.242 3.586 0 40 GHAB COc1cc(OC)c(-c2nc3cnccn3c2NCc2ccco2)cc1OC 12113842 JHKQHAKHJUIJQO-UHFFFAOYSA-N 380.404 3.627 0 40 GHAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)C(C)C)CC3)C1)c1cccn1-2 12120937 SAWBJNPQHJEYQG-QHCPKHFHSA-N 395.503 3.544 0 40 GHAB CCOC(=O)C1CCN(c2c(C)c(C)nc3cc(-c4ccoc4C)nn23)CC1 12154580 JNIACSJBITYNBO-UHFFFAOYSA-N 382.464 3.694 0 40 GHAB CC[C@H](C)C(=O)N1CCC[C@](Cc2cc(-c3ccccc3C)no2)(C(=O)O)C1 12241826 QZTHDKFBPAAOJM-OYHNWAKOSA-N 384.476 3.932 0 40 GHAB COc1ccccc1[C@]1(O)CCCN(C(=O)c2c(C)oc3ccc(O)cc23)C1 12325448 YDTYBGDNNZADCJ-QFIPXVFZSA-N 381.428 3.579 0 40 GHAB Cc1cccc(-c2cc(C[C@]3(C(=O)O)CCCN(C(=O)CC(C)C)C3)on2)c1 12366474 FZCLZWAKDADNHM-JOCHJYFZSA-N 384.476 3.932 0 40 GHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCN(c2ccc(F)cc2)CC1 12556405 JOZBWPYNKYDIJI-UHFFFAOYSA-N 397.425 3.901 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3c(C)noc3C)c2)cc1C 12583444 VWQCALQJZSGTGU-UHFFFAOYSA-N 399.472 3.961 0 40 GHAB Cc1cc(C)cc(OCCCN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1 12773394 IBTUEYNACQNGHF-OAQYLSRUSA-N 391.471 3.717 0 40 GHAB COc1ccc([C@H]2CCCN2Cn2nnn(Cc3ccccc3)c2=S)cc1 12819928 HYXAZRHKNXWHFZ-LJQANCHMSA-N 381.505 3.661 0 40 GHAB CCOc1ccc(C(=O)CCC(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1 12825175 DYKOMIWHAVNQQN-UHFFFAOYSA-N 396.487 3.959 0 40 GHAB O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)N1CCC[C@H]1c1ccccc1 12893020 QUWQWUCQWWHMDS-KVDXNUTJSA-N 396.512 3.603 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2F)c(C)c1C 12907224 BBDIRTMYSIMRDG-UHFFFAOYSA-N 399.509 3.572 0 40 GHAB Cc1ccc(O[C@H](C)c2nnc(SCC(=O)NC3CCCCC3)n2C)cc1 13866490 WXTFFFLRGXSYMZ-OAHLLOKOSA-N 388.537 3.805 0 40 GHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 13997680 XHZUTOFBJOTESL-AWEZNQCLSA-N 381.476 3.581 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1C 14013439 WGWTWIHBJNVOIV-VUCTXSBTSA-N 377.481 3.995 0 40 GHAB O=C(CNC(=O)c1ccccc1Cl)Nc1ncc(Cc2ccccc2)s1 14249384 ZTCBMYNTAFNKSQ-UHFFFAOYSA-N 385.876 3.756 0 40 GHAB CCOC(=O)c1sc(NC(=O)Cc2nc(-c3ccccc3)oc2C)nc1C 14899810 DKMSCTQLTHWCJU-UHFFFAOYSA-N 385.445 3.773 0 40 GHAB Cc1ccccc1CN(C)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 16339405 ULDVZJQYZATVNL-HXUWFJFHSA-N 380.488 3.562 0 40 GHAB O=C(NCc1ccccc1)C1CCN(Cc2cc(-c3cccs3)on2)CC1 16396648 JERPQIQBFFQWKV-UHFFFAOYSA-N 381.501 3.932 0 40 GHAB CN(C)[C@H](CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 16599649 SVXLJBSKDXLRCY-LJQANCHMSA-N 377.444 3.565 0 40 GHAB COc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2cccc(C)c2)CN3C(C)=O)cc1 19235217 RQYLXBSQVGOOAQ-HJOGWXRNSA-N 378.516 3.840 0 40 GHAB COc1cccc(C(=O)N2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1OC 19567359 KUJUIWQHXLYOSL-HXUWFJFHSA-N 396.418 3.605 0 40 GHAB CCc1nc(NC(=O)CN2CCC[C@H](c3nc4ccccc4n3C)C2)sc1C 19715449 QJNFYCJYVQVEKW-HNNXBMFYSA-N 397.548 3.719 0 40 GHAB CCn1ncc(-c2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)on2)c1C 19719065 CINGIRMAQSVEHQ-UHFFFAOYSA-N 394.410 3.503 0 40 GHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1OC 20104577 OLILYXNQNOETRW-UHFFFAOYSA-N 384.476 3.661 0 40 GHAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 20112484 OQRXTNNWVCJMLW-MRXNPFEDSA-N 382.460 3.727 0 40 GHAB Cc1ccn2c(=O)cc(CSc3nnc(Nc4ccccc4)s3)nc2c1 21230552 AXXHXVHTEODBBE-UHFFFAOYSA-N 381.486 3.890 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2ccc3nc(CC)c(CC)nc3c2)n1 21488083 NDLKSIPBDZFDCV-UHFFFAOYSA-N 398.488 3.569 0 40 GHAB Cc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@H]2C)cc1 21661434 PVXZBZIMTQQPRG-GOSISDBHSA-N 384.487 3.839 0 40 GHAB O[C@@H](COc1c(Cl)cccc1Cl)CN1CCN(c2ccccc2)CC1 23386637 KHVFQJXVKZJFIO-MRXNPFEDSA-N 381.303 3.555 0 40 GHAB CCCCN(C)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1 25615962 DKFYDRYZNBZUJW-UHFFFAOYSA-N 378.469 3.807 0 40 GHAB Cn1c(NC(=O)c2ccn(COc3ccccc3Cl)n2)nc2ccccc21 28235050 SVIQEOJLHOPEPS-UHFFFAOYSA-N 381.823 3.712 0 40 GHAB C[C@H](NC(=O)c1cccs1)C(=O)N(C)Cc1ccccc1N1CCCCC1 29955906 LHOOGBUZWGOELI-INIZCTEOSA-N 385.533 3.515 0 40 GHAB Cc1cccc(Cn2nccc2NC(=O)CCc2nc(-c3ccsc3)no2)c1 30527020 XSTSHGHURDJWHM-UHFFFAOYSA-N 393.472 3.923 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1ccc3c(c1)CCCC(=O)N3)O[C@@H](C)C2 30726564 LJAQWCWQBJOJMZ-ZDUSSCGKSA-N 380.444 3.936 0 40 GHAB CSCC[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)c1nc2ccccc2[nH]1 30910756 IOPUWFCBVYXFRK-QGZVFWFLSA-N 397.500 3.948 0 40 GHAB C[C@@H](NC(=O)CSc1nc(CN(C)C)nc2ccccc12)c1ccccc1 31619141 UIZZANZASJMLMD-OAHLLOKOSA-N 380.517 3.661 0 40 GHAB Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 32127132 PTWGQUCEWJMMLN-UHFFFAOYSA-N 393.262 3.613 0 40 GHAB C[C@@H](NC(=O)c1cccs1)C(=O)NCc1ccc(COc2ccccc2)cc1 32304330 QBUNHVWBCLNHGH-MRXNPFEDSA-N 394.496 3.762 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)OCc1csc(Nc2ccccc2)n1 32707888 ZJUGNXCXLMRCHU-UHFFFAOYSA-N 388.470 3.647 0 40 GHAB Cc1cccc(OCC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 32930173 MPBTXJDYVGUWRE-UHFFFAOYSA-N 393.409 3.573 0 40 GHAB COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN 34096617 IJCUTMPLJMWBTB-UHFFFAOYSA-N 376.819 3.902 0 40 GHAB in-vitro Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 38754831 UMIYSCOIFQNQSS-OAHLLOKOSA-N 394.924 3.600 0 40 GHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3ccccc3F)CC2)C1 39758949 TXOLEWNETAYYBC-RTBURBONSA-N 389.559 3.522 0 40 GHAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)[C@H]3CCCc4ccccc43)ccc21 39977913 ILXPFTGRXBHTOZ-FQEVSTJZSA-N 375.472 3.874 0 40 GHAB O=C(Nc1cccc(-n2cccn2)c1)NC1CCN(Cc2ccccc2)CC1 40121832 PMBXBMNKTLEJEX-UHFFFAOYSA-N 375.476 3.658 0 40 GHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2cccc(F)c2)n2ncnc2N1 40484558 QKYNXVZDXMPZTL-KRWDZBQOSA-N 383.814 3.998 0 40 GHAB COc1ccccc1CC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 43780531 IASDYHBDFBPKQS-FQEVSTJZSA-N 375.472 3.676 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(Cl)c1 44885200 AAAUEARGARFDNC-UHFFFAOYSA-N 388.851 3.606 0 40 GHAB COC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 44899713 BTAVKIDUCAKURG-LBPRGKRZSA-N 375.446 3.610 0 40 GHAB O=C(CN1CCC(C(=O)c2cc(F)ccc2F)CC1)NC1CCCCCC1 47797243 JWHFSRFXZQYVEN-UHFFFAOYSA-N 378.463 3.699 0 40 GHAB CC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)cc1 49574795 AGPNQJAFFRYNFV-FQEVSTJZSA-N 378.476 3.967 0 40 GHAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)n[nH]2)cc1 51315750 JZNAGDIJCHEODN-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB CN(CC(=O)NC(=O)NC1CCCCC1)C(c1ccccc1)c1ccccc1 57449495 DHQNPHLQMFXWKQ-UHFFFAOYSA-N 379.504 3.866 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)NCc3ccccc3)o2)c1C 59176239 OAEMFQLRHQEJMA-UHFFFAOYSA-N 383.473 3.674 0 40 GHAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2 59413114 AOXGRYPBUDUQMD-UHFFFAOYSA-N 383.466 3.744 0 40 GHAB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccnc(Cl)c2)CC1 60331373 MZJKZBGUVUYZLZ-AWEZNQCLSA-N 390.890 3.507 0 40 GHAB FC(F)Oc1ccc(-n2nnnc2CN2CCC[C@@H]2c2cccs2)cc1 60464745 FKFZIWFBTRSQIP-CQSZACIVSA-N 377.420 3.662 0 40 GHAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1ccc(Oc2ccccc2)cc1 61721598 MGBLYFKMDNRXMY-UHFFFAOYSA-N 389.455 3.943 0 40 GHAB O=C(NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1)c1ccc(Cl)cc1 72311530 HLJXGZNCNFWPSV-CYBMUJFWSA-N 387.785 3.820 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)C)cc1Cl 78923741 PYZZFMZRBIWCKO-UHFFFAOYSA-N 383.897 3.829 0 40 GHAB CN(CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H](CCO)c1ccccc1 78950407 IZLQPXXHALDRPP-SFHVURJKSA-N 395.330 3.708 0 40 GHAB Cc1cc(NC(=O)CN(C)c2nc(-c3ccsc3)nc3ccccc23)no1 84119932 MADHNCMESNBHNZ-UHFFFAOYSA-N 379.445 3.730 0 40 GHAB Cc1noc(COCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 84286765 BNCJLKNJPPQIDW-UHFFFAOYSA-N 390.399 3.855 0 40 GHAB O=S(=O)(Cc1ccccc1)N(Cc1ccccc1)C[C@H](O)c1cccs1 95410463 LIZRSZYIKYVJGL-IBGZPJMESA-N 387.526 3.814 0 40 GHAB COc1ccc(N2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)nn1 95477720 OPHCTBWCQBNCAG-UHFFFAOYSA-N 381.263 3.647 0 40 GHAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95478669 NGFQZJSKSYPYNM-SNVBAGLBSA-N 389.242 3.861 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4ccc(O)cc4)cs3)cn2)n1 95960891 ANRTXJHVPDUDJQ-UHFFFAOYSA-N 391.456 3.966 0 40 GHAB CCc1nc(NC(=O)COC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)sc1C 95985518 DGJLBGGLQZVTRQ-CQSZACIVSA-N 397.541 3.616 0 40 GHAB CC(C)[C@H](NC(=O)Cc1ccc2c(c1)OCCCO2)c1nc2ccccc2[nH]1 96118565 BLTDVGPOUCERPX-NRFANRHFSA-N 379.460 3.780 0 40 GHAB C[C@H](NC(=O)COc1ccc(NC(=O)c2ccco2)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101092396 RRRPKXRIEOGBQQ-WFXMFSGNSA-N 382.460 3.852 0 40 GHAB C[C@H]1CCCN(C[C@H](C)NC(=O)N(C)Cc2ccccc2OC(F)(F)F)C1 106138163 LTMZFMRMGZBBPA-GJZGRUSLSA-N 387.446 3.847 0 40 GHAB Cc1cccc(N(CCCC(=O)Nc2cccc(F)c2)S(C)(=O)=O)c1C 113962440 RMEDSQZIVXZSAP-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 113971351 FOAQPBNUNFUUCP-HXUWFJFHSA-N 396.487 3.572 0 40 GHAB COc1ccc2c(c1)-c1nc(SCC(F)(F)F)n(C)c(=O)c1C(C)(C)C2 205677386 OEAAZHPVRAHPKR-UHFFFAOYSA-N 384.423 3.944 0 40 GHAB CC[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 219282465 CPIOMYPJUCAWEZ-KRWDZBQOSA-N 387.476 3.921 0 40 GHAB C[C@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)CCc1ccccc1 222766518 VQLUFKJIBCCELX-LJQANCHMSA-N 390.483 3.946 0 40 GHAB COc1ccc(-c2noc(CNC(=O)COc3ccccc3C(C)C)n2)cc1 222814046 POZUPNFGFMJJKD-UHFFFAOYSA-N 381.432 3.564 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2)cc1OC 223242755 AOSIDCOFBIJKOM-JXAWBTAJSA-N 392.411 3.706 0 40 GHAB Cc1ccccc1CN(C(=O)COc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 223756616 PEVKECKBHTVFNT-IBGZPJMESA-N 394.515 3.850 0 40 GHAB CCOCc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC 224693196 BLDZXYVVPYVDLJ-UHFFFAOYSA-N 387.476 3.612 0 40 GHAB Cc1cccc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c1C 225698348 CECUOKNPUGYHSW-HXUWFJFHSA-N 396.531 3.667 0 40 GHAB CC(C)(C)NC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCCC2)n1 225894503 GAJGYEHCQVEXLX-UHFFFAOYSA-N 390.601 3.932 0 40 GHAB Cc1ncccc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 257207812 BJJSWHDHUKMBET-WKILWMFISA-N 377.448 3.539 0 40 GHAB Cc1cc([C@@H]2CCCCN2C(=O)Cc2cccnc2)nc(-c2c(C)noc2C)n1 257244295 IKSHPCFPFWIFRP-IBGZPJMESA-N 391.475 3.748 0 40 GHAB Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)nc(O)n1 257245735 IQWRWELAIMOGMP-SFHVURJKSA-N 396.422 3.576 0 40 GHAB Cc1ccccc1C(=O)N1CC[C@@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306123443 ANDJXGMGDCYILR-HSZRJFAPSA-N 391.446 3.813 0 40 GHAB COCCn1cnc2c1C1(CCN(Cc3ccoc3)CC1)Oc1ccccc1-2 306128292 GWHCPAXMTAHCNM-UHFFFAOYSA-N 379.460 3.673 0 40 GHAB Cc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccncc5)CCN4C)nnn3c2)cc1 306142139 WQXLQHIDYHXZEM-QHCPKHFHSA-N 398.514 3.588 0 40 GHAB O=C(c1cccc(Oc2ccccn2)c1)N1CC(N2CCc3sccc3C2)C1 390827775 KBSDTRUZRLLJSB-UHFFFAOYSA-N 391.496 3.818 0 40 GHAB CCOc1ccc(S(=O)(=O)NCCC(C)C)cc1NC(=O)c1ccccc1 408559371 WRICOLVRZPMXIH-UHFFFAOYSA-N 390.505 3.662 0 40 GHAB COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2ncccc2Cl)CC1 528498188 UIQHYJCLTNXRGP-UHFFFAOYSA-N 398.894 3.847 0 40 GHAB Cc1cc2c(cc1-c1ccnc(NCCN3CCOCC3)n1)NC(C)(C)C[C@H]2C 575473305 XAVTUOSVWGMRBM-QGZVFWFLSA-N 395.551 3.894 0 40 GHAB O=C(Cc1ccccc1Br)N1CC[C@H](n2cnc3ccccc32)C1 575615865 GQAYXBTVKKMKMJ-HNNXBMFYSA-N 384.277 3.815 0 40 GHAB O=C1C[C@@H](C(=O)NCCCc2cccs2)c2cc(Br)ccc2N1 584087981 NAKGRQSKBUROOY-CQSZACIVSA-N 393.306 3.685 0 40 GHAB CCOc1c(Cl)cc(NC(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)cc1Cl 584225060 YZLAZJMHIPEOCH-APPDUMDISA-N 389.279 3.804 0 40 GHAB Cn1ccc(C(=O)N2CCC[C@]23CCCN(c2ncnc4ccsc24)CC3)c1 585100267 JFMIKUKSKKVBLJ-NRFANRHFSA-N 395.532 3.695 0 40 GHAB CC(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CC(F)C1)C2 585107417 VKGOMTOYSPFTGA-CNXQINBVSA-N 382.483 3.524 0 40 GHAB CCOc1cc(C(=O)N2CC(C)(C)Oc3cc(Br)ccc32)on1 622987308 ZHVCTPOCQYXWKE-UHFFFAOYSA-N 381.226 3.654 0 40 GHAB O=C(CCC1CCCC1)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615154658 GLNKXWYPYIBHGX-JOCHJYFZSA-N 388.483 3.521 0 40 GHAB CN1CCCCCCCN(C(=O)c2ccncc2)c2ccc(C(=O)O)cc2C1 2037949678 ONNYZHHOYKXVNV-UHFFFAOYSA-N 381.476 3.823 0 40 GHAB Cc1cccc(OC[C@@]2(O)CN([C@H]3CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 2037949778 GUVXEOXTRMTTII-YDWJEQILSA-N 375.553 3.776 0 40 GHAB Cn1c(C(=O)N2CCC3(CC2)CN(c2ccccc2)c2ccccc23)cccc1=O 2055739102 LBQNRUXRAVQNCB-UHFFFAOYSA-N 399.494 3.711 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)N1CCC[C@]2(CCCN(c3ncccn3)C2)C1 2056224119 JWDYGKRKSCIWGN-FQEVSTJZSA-N 387.434 3.669 0 40 GHAB CC(C)CNC(=O)c1cc2ccc(OC(=O)c3cccc(F)c3)cc2oc1=O 937092 SSAGHWGOOUAVTL-UHFFFAOYSA-N 383.375 3.537 0 40 GHAB CCCc1nc2ccccc2c(C(=O)OCC(=O)NCC(F)(F)F)c1CC 2628839 IKYUZEXLKMGYEZ-UHFFFAOYSA-N 382.382 3.585 0 40 GHAB CC1CCN(C[C@H](C)NC(=O)[C@H](C)n2nc(C(F)(F)F)cc2C2CC2)CC1 2782159 IEEZDAXKFHOJQQ-KBPBESRZSA-N 386.462 3.577 0 40 GHAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)NCCC1=CCCCC1 3349127 OPMZRKVEVYCCBH-HNNXBMFYSA-N 386.521 3.763 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc3ccccc3c2O)c1 3438712 QQATVDTXMGHUAH-CQSZACIVSA-N 377.396 3.932 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)no1 3465774 IBNIAHWDQZTVAF-UHFFFAOYSA-N 395.444 3.614 0 40 GHAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)NC1CCCCC1 3544343 XUGPUIBGOKTPIC-UHFFFAOYSA-N 380.444 3.545 0 40 GHAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(F)cc1 4143559 JARUFHFXMZLTBC-HSZRJFAPSA-N 375.399 3.833 0 40 GHAB Cc1ccc(C(=O)NCc2nnc(SCc3ccc(Cl)cc3)n2C)cc1 4419130 LFMIREOYBBGOLD-UHFFFAOYSA-N 386.908 3.999 0 40 GHAB CC1CCN(C(=O)c2ccc(NC(=O)[C@H]3CC(=O)OC34CCCCC4)cc2)CC1 4744393 XDFUUUCUPJEBLM-LJQANCHMSA-N 398.503 3.763 0 40 GHAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccco3)c3nnnn3c2c1 4879580 ZMYYBNICWJAKOG-UHFFFAOYSA-N 387.399 3.615 0 40 GHAB O=C(Nc1cccc(Br)c1)c1cccn(Cc2ccccc2)c1=O 4940220 CHYIBWUQNZZIII-UHFFFAOYSA-N 383.245 3.911 0 40 GHAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2F)n1C 5130853 KTJIMIWHVILKDE-GFCCVEGCSA-N 386.452 3.749 0 40 GHAB Cc1ccc(-c2ccc3nnc(SCC(=O)NCc4ccccc4)n3n2)cc1 5167839 UGXKEAHJODSUAN-UHFFFAOYSA-N 389.484 3.508 0 40 GHAB CCn1c(O)c(C(=O)Nc2ccccc2Br)c(=O)c2ccccc21 5445133 OMSBCEKFOVISHA-UHFFFAOYSA-N 387.233 3.742 0 40 GHAB COc1cccc(-c2nc(CCNC(=O)c3ccc4c(c3)OCO4)cs2)c1 5451878 YTPOWOAUAVIAHH-UHFFFAOYSA-N 382.441 3.520 0 40 GHAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)N[C@H](C(=O)O)C(C)C)c(C)c32)c1C 6624087 RNVZUVNBAQPUSW-IBGZPJMESA-N 399.443 3.541 0 40 GHAB biogenic Cc1cc(C)nc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2ccccc2)n1 6679380 HCEBVAWNPLAJQB-WMLDXEAASA-N 379.489 3.751 0 40 GHAB COC(=O)c1c(NC(=O)NCCc2ccccc2)sc2c1CC(C)(C)OC2 6754736 RIGZAPVZZPHWCP-UHFFFAOYSA-N 388.489 3.750 0 40 GHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(C2CC2)n1C 7087259 MVCPECLYLVRKOT-LLVKDONJSA-N 387.534 3.614 0 40 GHAB CC[C@@H](C)n1c(SCC(=O)N(C)Cc2ccco2)nc2ccccc2c1=O 7237726 SQHKMWPDDRBKSC-CQSZACIVSA-N 385.489 3.711 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nn3c(C)ccc3C)c2)cc1 7360935 JBSHIZKDZUVXOJ-UHFFFAOYSA-N 383.473 3.598 0 40 GHAB CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2c(F)cccc2F)NC(=O)N1 7699024 RAVSSVLQKPSYPM-INIZCTEOSA-N 377.778 3.885 0 40 GHAB C[C@H](NC(=O)COC(=O)Cc1noc2ccccc12)c1ccc2c(c1)CCCC2 7865805 AKXQVLKCPIOXBT-HNNXBMFYSA-N 392.455 3.670 0 40 GHAB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)c1ccccc1 7881580 OOCWHLQRQCFAMC-MAUKXSAKSA-N 385.847 3.898 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2cccc(N(C)C)c2)N2CCCCC2)cc1 7990601 FKUBGPJHBHXRLL-JOCHJYFZSA-N 381.520 3.718 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C)cc2)n1 8711549 XJRAGGVKAOKWGP-KRWDZBQOSA-N 377.444 3.982 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(Cl)cc2)cc1 9237437 UXNWJHZCJDDCES-DLBZAZTESA-N 399.907 3.946 0 40 GHAB CC(C)CCC[C@@H](C)NC(=O)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 9421359 ZBSQSVMTLKUKFT-CYBMUJFWSA-N 392.935 3.554 0 40 GHAB COc1cc(SC)ccc1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9709794 CQBAWQSCBRNOSO-UHFFFAOYSA-N 381.461 3.658 0 40 GHAB Cc1cccc(OCCSc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1 10838868 STYTZUHIBOJMHS-UHFFFAOYSA-N 392.546 3.736 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 11362541 RXRDGWZGQVDCAR-UHFFFAOYSA-N 382.869 3.508 0 40 GHAB CCSc1nnc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)s1 11429421 ODOZKDLCJASENW-UHFFFAOYSA-N 389.506 3.646 0 40 GHAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(c2ccccc2F)CC1 11500633 AFUOYEQEUIEMBW-UHFFFAOYSA-N 397.425 3.901 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 12129516 HFVXQTVNTIEOOB-QGZVFWFLSA-N 397.475 3.517 0 40 GHAB Cc1c(CN2CCC3(CC2)NC(=O)c2ccccc2O3)[nH]c2ccc(F)cc12 12146028 HEDKLQRGOWMANQ-UHFFFAOYSA-N 379.435 3.730 0 40 GHAB CCc1cc(O)n2nc([C@@H]3CCCCN3Cc3cccc(OC)c3OC)cc2n1 12160950 MKXSNUVUHCVXFL-SFHVURJKSA-N 396.491 3.742 0 40 GHAB Cc1nc2cc([C@@H]3CCN(Cc4ccc(OC(C)C)cc4)C3)nn2c(O)c1C 12255326 XGEZPLJROSOYBT-GOSISDBHSA-N 380.492 3.828 0 40 GHAB Cc1nc2ccc(OCc3ccccc3)cc2c(=O)n1-c1ccc(C(=O)O)cc1 12408338 IGRYFDGXDLWAIQ-UHFFFAOYSA-N 386.407 3.971 0 40 GHAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)N1CCN(c2ccccc2)CC1 12506485 HCTNOHYURNFDCM-FQEVSTJZSA-N 392.547 3.826 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1CCC[C@@H](C)C1 12526446 OSZFJDHYDRESBZ-CQSZACIVSA-N 390.480 3.807 0 40 GHAB O=C(NCc1ccc(Cl)cc1)C1(S(=O)(=O)c2ccccc2)CCCC1 12617614 BUNSBDUOYCVJJL-UHFFFAOYSA-N 377.893 3.743 0 40 GHAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C(Cl)(Cl)Cl 12843246 MLUBYVOVHFECOL-UHFFFAOYSA-N 390.683 3.778 0 40 GHAB O=C(NCc1ccc(OC(F)F)cc1)c1nn(-c2ccccc2)c2c1CCC2 12928085 RGJHXPMZCISDHO-UHFFFAOYSA-N 383.398 3.892 0 40 GHAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCCCC1 12973586 FZODQFYSHHQKJK-OAHLLOKOSA-N 389.348 3.857 0 40 GHAB CCNC(=O)COc1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 13002442 IJSFNRIXRNOLJC-OAHLLOKOSA-N 384.501 3.733 0 40 GHAB CCOc1ccccc1NC(=O)O[C@H]1CCCN1C(=O)NCc1ccccc1 13995541 MPSQXCVTBKABOT-IBGZPJMESA-N 383.448 3.966 0 40 GHAB O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1ccccc1C(=O)c1ccccc1 14982084 NRVVTWYCFPNSTQ-KNQAVFIVSA-N 376.500 3.912 0 40 GHAB CCc1cc2oc(=O)cc(CN3CCN(c4ccccn4)CC3)c2cc1Cl 16044206 FNYMDRRLXDVIHE-UHFFFAOYSA-N 383.879 3.726 0 40 GHAB Cc1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c(C)n1Cc1ccco1 16515858 ZZKYANDZKCIXMM-UHFFFAOYSA-N 391.471 3.803 0 40 GHAB CCOc1ccc(C(=O)NCCc2ccc(OCC)c(OCC)c2)cc1OC 16645277 JQDDAIIBHSLXQM-UHFFFAOYSA-N 387.476 3.864 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccccc2F)C1=O 16682166 MQVLUYIRNWCZDK-COOUDCDJSA-N 388.420 3.604 0 40 GHAB COc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)n2)cc1F 18706937 INBYCOIWAQWULC-KRWDZBQOSA-N 398.415 3.678 0 40 GHAB Cc1noc(C)c1CC(=O)N1CCC(c2[nH]ncc2CCc2ccccc2)CC1 19113494 BQTDCSOKGKTUAO-UHFFFAOYSA-N 392.503 3.748 0 40 GHAB O=C(CCc1nc(-c2ccccn2)no1)Nc1nc(-c2ccccc2F)cs1 19368433 OOJBIYMMZMRTRM-UHFFFAOYSA-N 395.419 3.966 0 40 GHAB CC(C)n1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)cn1 19454946 VVHPOYUUODQQSZ-BDTNDASRSA-N 380.536 3.947 0 40 GHAB CCc1ccc(C(=O)[C@@H](C)OC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 19483148 VXEUJGMFNMBXPE-OAHLLOKOSA-N 383.444 3.509 0 40 GHAB COc1ccc(OC)c(CN2CCC(c3noc(-c4ccccn4)n3)CC2)c1 19551485 VGWWWOJUMPEVOR-UHFFFAOYSA-N 380.448 3.528 0 40 GHAB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)c1ccc(N(C)C)cc1)C2 19584803 PEZBBSVBINGAIH-HSZRJFAPSA-N 394.515 3.755 0 40 GHAB COc1ccccc1C(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1C 20152556 JZTUBHNTVHDJBX-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)c1 20806321 UECGJRCMFMOXME-NRFANRHFSA-N 386.511 3.819 0 40 GHAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(-n2cccn2)cc1 21471036 WAPMOOPXFOHXLK-UHFFFAOYSA-N 386.407 3.824 0 40 GHAB COc1cccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)C[C@@H](C)C2)c1 23157868 XEFGXOBSBXOELZ-PBFPGSCMSA-N 386.521 3.881 0 40 GHAB COC(=O)c1ccoc1COC(=O)c1sc(NC(=O)c2ccco2)cc1C 23503169 XIONRHKDFXIDFQ-UHFFFAOYSA-N 389.385 3.638 0 40 GHAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 23710324 VONAANSMJRFCAK-UHFFFAOYSA-N 394.924 3.689 0 40 GHAB COC(=O)c1cccc(NC(=O)c2ccccc2SCc2noc(C)n2)c1 24772680 DDPPAMYRYIUXHG-UHFFFAOYSA-N 383.429 3.709 0 40 GHAB CC(=O)c1ccc(OC[C@H](O)COc2ccc(NC(=O)c3ccco3)cc2)cc1 27213397 RPSDPPJTDLZOME-SFHVURJKSA-N 395.411 3.553 0 40 GHAB CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccc(C)c1 29483183 LZZFRGRWLCPBSP-UHFFFAOYSA-N 392.528 3.950 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(C)c1 31722888 KRNZVMUNGBJGAP-UHFFFAOYSA-N 393.530 3.821 0 40 GHAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 32127149 ZZPYEOBKMMICJR-UHFFFAOYSA-N 397.500 3.778 0 40 GHAB COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)NCCC1=CCCCC1 32752956 BGJZODSCGHMFCF-UHFFFAOYSA-N 389.521 3.548 0 40 GHAB CCC(CC)[C@@H](NC(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccc1 32937694 NNKXWYSXWPCKLE-JOCHJYFZSA-N 396.535 3.895 0 40 GHAB COC(=O)c1cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)ccc1OC 32999549 SAGLDRDVDPKLGR-CYBMUJFWSA-N 391.851 3.527 0 40 GHAB O=C1NC(=S)N/C1=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 34073231 SOQDTIWZQIJGEO-VIZOYTHASA-N 379.268 3.918 0 40 GHAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NC[C@@H]1CCCO1 36182100 CDUNCZJZHUEKON-SFHVURJKSA-N 379.485 3.710 0 40 GHAB Cn1c(C2CCC(CNC(=O)CSc3ncccn3)CC2)nc2ccccc21 38671693 UYJQMUFLHKULIL-UHFFFAOYSA-N 395.532 3.546 0 40 GHAB CCC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 40097174 SMPNXXDBDDIFCT-GOSISDBHSA-N 375.494 3.600 0 40 GHAB CC(C)CCNC(=O)CCC(=O)N1CCC(c2noc3ccc(F)cc23)CC1 40288536 MDGDMSFINXRDMQ-UHFFFAOYSA-N 389.471 3.615 0 40 GHAB CCc1ccccc1O[C@H](C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 44883059 BKMJEHYFWNUWHV-RGFVMQALSA-N 378.516 3.874 0 40 GHAB O=C(NOCc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49581375 ZUAUPMTVGBRBNY-HXUWFJFHSA-N 388.467 3.940 0 40 GHAB O=C(Cc1ccsc1)OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 51315306 NBUVGRNLFXNLPI-UHFFFAOYSA-N 384.335 3.983 0 40 GHAB Cc1ccc(C)c2c(C)c(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)oc12 56393825 JXVUWJMYWSGBAB-UHFFFAOYSA-N 391.427 3.662 0 40 GHAB Cc1nccn1-c1ccc(CNC(=O)Nc2ccccc2C(F)(F)F)cn1 56532053 FYPDOROUCBIINA-UHFFFAOYSA-N 375.354 3.916 0 40 GHAB CCCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1 57670673 BTJPAVBXMALVAW-JOCHJYFZSA-N 390.535 3.775 0 40 GHAB Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1NS(C)(=O)=O 58406516 FLUKAIOVTPBDAN-GJZGRUSLSA-N 378.881 3.762 0 40 GHAB CN(C(=O)CCSc1ccccc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 72305467 AAVOTMSCDFDULV-AWEZNQCLSA-N 382.501 3.776 0 40 GHAB COc1cc([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc(OC)c1OC 72405036 UJSAMADFKLTDCV-CQSZACIVSA-N 383.404 3.674 0 40 GHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)[C@@H]2COc3ccccc3O2)C1 77200193 WXLLVNYBSGRUEV-HLIPFELVSA-N 396.443 3.503 0 40 GHAB O=C1CCCc2cc(NC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)ccc2N1 78911130 ZJLYNHSAUVNYAK-JOCHJYFZSA-N 391.471 3.654 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccccc1Cl 79493147 QLGYGIFARXZDJG-INIZCTEOSA-N 379.869 3.832 0 40 GHAB Cc1cc(C[S@@](=O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)on1 84124410 ZMIXQCNJVSKQNY-USOBGDSLSA-N 394.802 3.931 0 40 GHAB Cc1nc(CNC(=O)OC(C)(C)C)ccc1C(=O)N1CC[C@@H](CC(C)C)C1 95453391 FKJJTIXBWBEERQ-INIZCTEOSA-N 375.513 3.923 0 40 GHAB CNC(=O)c1cccc(NC(=O)c2cccnc2SCc2ccc(F)cc2)n1 95972203 XVBKRVYYMYZWNH-UHFFFAOYSA-N 396.447 3.520 0 40 GHAB COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccsc1)CC2 96061343 PBPOOVSFEOVRHD-HXUWFJFHSA-N 384.545 3.745 0 40 GHAB CCc1cccc(NC(=O)N2CC[C@]3(CC[C@@H](C(=O)NCC4CC4)O3)[C@H](C)C2)c1 96261024 SYELLFLEQLRAFK-NIJIEXERSA-N 399.535 3.567 0 40 GHAB COc1ccccc1NC(=S)N1[C@@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 100426984 NOODTIOFATXPEJ-HZPDHXFCSA-N 389.565 3.940 0 40 GHAB CC(=O)N[C@H]1C(=O)N(CCOc2ccccc2Cl)c2c(Cl)cccc21 100485812 LXECCNWAPOSCJO-MRXNPFEDSA-N 379.243 3.596 0 40 GHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 107348509 LWJGAWYYACFCMU-PYWIUJKZSA-N 375.534 3.957 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 220300120 ZROTWQPMMGZGQA-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB O=C(NCCOCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 224536655 VHBDXJCQSGCAQN-UHFFFAOYSA-N 386.923 3.885 0 40 GHAB COc1ccc(C2(C(=O)Nc3ccc(OCC(=O)O)cc3)CCCCC2)cc1 225558546 RNASMACRSMXKGQ-UHFFFAOYSA-N 383.444 3.999 0 40 GHAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)c1ccc(OC(F)(F)F)cc1 225587720 ZZKQVQLFNBEXSM-QGZVFWFLSA-N 397.374 3.906 0 40 GHAB CCOC(=O)c1cc(NC(=S)NCCCN2CCC[C@@H](C)C2)ccc1Cl 225737428 AIJYBWDNKYWYPI-CQSZACIVSA-N 397.972 3.925 0 40 GHAB CC(=O)Nc1cc(CCC2CCN(C(=O)Cc3ccc(F)cc3)CC2)ccn1 257203681 ARCHPHDBLWCSTO-UHFFFAOYSA-N 383.467 3.593 0 40 GHAB CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)c4cnco4)CC3)C[C@@H]21 257238739 HMIWLYKXVYDLQM-QFBILLFUSA-N 382.460 3.846 0 40 GHAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4cccc(C)n4)C3)o2)cc1 257279785 OIEAUHSXSRSQQY-SFHVURJKSA-N 391.471 3.997 0 40 GHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4F)OCC[C@@]31C2 257329488 XKENFMKCAMZUHM-GETAXMSVSA-N 375.484 3.861 0 40 GHAB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 409158586 OZPVTZYZCMGNDF-UHFFFAOYSA-N 397.504 3.643 0 40 GHAB O=C(NCCn1cc(Br)cn1)C1(c2cc(F)cc(F)c2)CCCC1 529374309 JVMWNVIZMULLCF-UHFFFAOYSA-N 398.251 3.552 0 40 GHAB Cn1nccc1CC1CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)CC1 585177734 DPLOEEKNTHDYDT-UHFFFAOYSA-N 379.460 3.833 0 40 GHAB O=C(N[C@H](CCc1ccccc1)C(F)F)N1CCOc2ccc(O)cc2C1 624621483 ATVUPBYJJBUZOW-QGZVFWFLSA-N 376.403 3.563 0 40 GHAB O=C(Nc1cn(Cc2ccccc2)nn1)NC1(c2c(F)cccc2F)CCC1 626519509 NKNCBCASBHLFSQ-UHFFFAOYSA-N 383.402 3.806 0 40 GHAB Cc1nc(-c2cccs2)c(CC(=O)N2CCN(c3ccc(O)cc3)CC2)s1 638580356 MOWAZACUJLPYGA-UHFFFAOYSA-N 399.541 3.777 0 40 GHAB CCCN(C(=O)c1cccs1)C1CCN(Cc2cc3n(n2)CCCC3)CC1 649553151 FWBVTJRKKPAHPV-UHFFFAOYSA-N 386.565 3.798 0 40 GHAB Cc1nc(-c2cccc(NC(=O)N[C@@H](C[C@H]3CCCO3)C(F)(F)F)c2)no1 653953964 XTPOAKVCGHPSFA-KGLIPLIRSA-N 384.358 3.667 0 40 GHAB O=C(c1ccnc(C(F)(F)F)c1)N1CCn2c(-c3cccs3)cnc2C1 1565556812 XRKGKZQXDOZWIQ-UHFFFAOYSA-N 378.379 3.681 0 40 GHAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3nccc4ccccc34)CC2)n1 1775968289 XMBJKNIWEALBDO-UHFFFAOYSA-N 390.487 3.566 0 40 GHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 1288264 LAVSBTPFUNRWTK-CMDGGOBGSA-N 379.334 3.909 0 40 GHAB CCOCC(=O)Nc1cc(C(=O)Nc2ccccc2OCC)ccc1Cl 2069787 CXUWMMFQSKFALR-UHFFFAOYSA-N 376.840 3.966 0 40 GHAB COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3nc(NC(C)=O)nc3N2)cc1 2409638 CVEITRZQNJZSPD-ROUUACIJSA-N 381.411 3.531 0 40 GHAB CCSc1nnc2n(C)c(=O)c3c(n12)-c1ccccc1CC31CCCCC1 2479357 AXZYZBLIKSBHFE-UHFFFAOYSA-N 380.517 3.965 0 40 GHAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(OC(F)(F)F)cc1 2645254 UGCHNTCCTNTZTO-UHFFFAOYSA-N 379.290 3.709 0 40 GHAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1C(F)(F)F 3421261 UJVQQUUGUQDSES-UHFFFAOYSA-N 385.198 3.872 0 40 GHAB O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccccc1Cl 3456264 PBDMOFDKUMINMT-UHFFFAOYSA-N 395.684 3.539 0 40 GHAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccc(Cl)cc3)C2)cc1 4175730 MPBFIDDFCGZAMS-GOSISDBHSA-N 386.835 3.891 0 40 GHAB COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2C1=O 4524240 IMUCBJXIQKRJOC-UHFFFAOYSA-N 386.835 3.533 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 4756894 WSGPHFMFXHCQGE-RZQQEMMASA-N 384.501 3.714 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(C)cc3Cl)ccc21 5005703 LVMXUFMZKPMJFF-UHFFFAOYSA-N 378.881 3.748 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3cccnc3[nH]2)c(Br)c1 5458811 CONHIVPAZUEHQM-UHFFFAOYSA-N 377.267 3.760 0 40 GHAB Cc1nnc(S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C(=O)O)[nH]1 6199593 VVDGIYZRUGZRPP-NVNXTCNLSA-N 385.401 3.598 0 40 GHAB O=C(O)[C@@H]1CS[C@@H](c2ccc(OCc3ccc(Br)cc3)cc2)N1 6221520 JAWYWKORNJPRCR-HOTGVXAUSA-N 394.290 3.816 0 40 GHAB CCOc1ccc(/C=C2\SC(=N)[C@H](c3nnc(CC)s3)C2=O)cc1OC 6564835 ZEHADVGSNRINOB-XDNJSQOTSA-N 389.502 3.926 0 40 GHAB O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1 6681406 KGDYASGCVGBKFX-UHFFFAOYSA-N 398.509 3.747 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)oc2c1 6761456 PZVMVTSKTTZMAH-UHFFFAOYSA-N 394.412 3.659 0 40 GHAB CCSc1ncc(Cl)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 6804298 ULCBDXAVKDSDSA-UHFFFAOYSA-N 397.331 3.858 0 40 GHAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)[C@@H]1c1cccs1 6875865 BNVAIHJCXCVRCI-UXHICEINSA-N 398.528 3.544 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1ccc2ccccc2n1 7199702 XVIOOKKUBKIKON-INIZCTEOSA-N 380.469 3.625 0 40 GHAB Cc1cc2ccccc2n1CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 7257705 UDULZONFYPQMDB-UHFFFAOYSA-N 381.520 3.591 0 40 GHAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 7310797 WICCMDMWHGBJSN-ZDUSSCGKSA-N 388.851 3.739 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)cc1 7616832 VNONAXPDJXWXDF-UHFFFAOYSA-N 393.472 3.608 0 40 GHAB CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1C 8412613 ZSIMNNLBXRKDEK-UHFFFAOYSA-N 382.460 3.848 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(F)cc2)cc1Cl 8414100 WMPPQKVHKPHWCC-UHFFFAOYSA-N 392.814 3.688 0 40 GHAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(F)cc(F)cc3s2)n(C)n1 9200325 BWRLAEOREXMSHX-UHFFFAOYSA-N 399.426 3.858 0 40 GHAB C[C@H]1CCCN(C(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)C1 10541453 KVYHJYXRODTQHL-KRWDZBQOSA-N 386.517 3.525 0 40 GHAB O=C1C[C@@H](C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c2ccc(F)cc2N1 11202514 RHAQARDXJBKGLO-MRXNPFEDSA-N 393.374 3.736 0 40 GHAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 11605937 UJKKMXBPTUFAKA-LIRRHRJNSA-N 399.516 3.949 0 40 GHAB COc1ccc(C2(NC(=O)c3sc4ncn(C)c(=O)c4c3C)CCCC2)cc1 12197693 ZLHMPCPXFQYXPZ-UHFFFAOYSA-N 397.500 3.511 0 40 GHAB Oc1c2c(nc3cc(C4CC4)nn13)CCN(Cc1ccccc1C(F)(F)F)C2 12667014 XFJWVYHRXBAJKU-UHFFFAOYSA-N 388.393 3.889 0 40 GHAB Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1C 12738521 VWVWSUXDHYFFKA-UHFFFAOYSA-N 398.528 3.549 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(Br)cc2)c1 12845694 ALFMJPHQFPIJSP-UHFFFAOYSA-N 390.237 3.618 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC=C(c3ccccc3)CC2)c1 12880353 OABUXZFXGWUBTP-UHFFFAOYSA-N 391.876 3.605 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)CNC(=O)Nc2ccccc2)cc1 12929568 RBMFSLNMBXQMPB-HXUWFJFHSA-N 381.476 3.961 0 40 GHAB COc1ccc(NC(=O)CN(C)C(=O)c2sc(-c3ccccc3)nc2C)cc1 12997675 NCICGKZCCISVLR-UHFFFAOYSA-N 395.484 3.838 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1cn(Cc2ccccc2)nc1-c1cccnc1 13137356 TZVQVBPYYCFYOR-UHFFFAOYSA-N 398.422 3.974 0 40 GHAB CCCc1ccc([C@H](C)NC(=O)CN2CCN(c3ccccc3F)CC2)cc1 13323404 BDLDINKKPGJCCR-SFHVURJKSA-N 383.511 3.778 0 40 GHAB C1=CC[C@@H]([C@H]2N=C3NCN(Cc4ccco4)CN3c3nc4ccccc4n32)CC1 13634022 AVFKSGOCVPGUKG-UZLBHIALSA-N 388.475 3.681 0 40 GHAB O=c1cc(CSc2ccc(Cl)cc2)[nH]c2[nH]n(-c3ccccc3)c(=O)c12 13655809 UDYYPRWBKNVMLH-UHFFFAOYSA-N 383.860 3.953 0 40 GHAB Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc(Cl)cc1Cl 14069993 JMPIMHRKGKWCFC-UHFFFAOYSA-N 385.320 3.940 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1 14227152 MBPWCIZKGCEFEZ-SFHVURJKSA-N 386.517 3.738 0 40 GHAB CCn1nc(C(=O)OCc2csc(-c3ccsc3)n2)c2ccccc2c1=O 14762662 ZRTGFELGAYPAQZ-UHFFFAOYSA-N 397.481 3.958 0 40 GHAB O=C1[C@@H]2C[C@@H](CN2C(=O)C2(c3ccc(Cl)cc3)CC2)N1c1ccccc1F 15001904 OVXMFOZXKLKHPQ-YJBOKZPZSA-N 384.838 3.527 0 40 GHAB CCC1=C(C(=O)OC)[C@H](c2cccc(OCc3ccccc3)c2)NC(=S)N1 15497178 KJDFXGPYUXAVRK-IBGZPJMESA-N 382.485 3.622 0 40 GHAB Cc1cc(N2CCN(C(=O)/C=C/c3ccccc3Cl)CC2)nc(C(C)C)n1 16103114 OWJXRFWWAKPGLX-CMDGGOBGSA-N 384.911 3.924 0 40 GHAB COc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)cn1 16574966 IXTAECCHBFZJEW-UHFFFAOYSA-N 383.429 3.588 0 40 GHAB O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1cccnc1 17440304 XIJZRCUKZMFDLR-UHFFFAOYSA-N 390.830 3.751 0 40 GHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)C)cc(N(C)C)n1 19240832 OTSBDBOWMYSZKS-GOSISDBHSA-N 379.508 3.778 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)cc1F 19559565 RTBKHNDBAIGNCT-GOSISDBHSA-N 380.423 3.526 0 40 GHAB COc1ccc(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)cc1 19560715 MIQXDAMXFGKDPD-UHFFFAOYSA-N 394.500 3.937 0 40 GHAB Cc1nc(-c2cncnc2[C@H]2CCN(Cc3c(C)[nH]c4ccc(F)cc34)C2)no1 19693809 FVUCYVSVVSJNRQ-AWEZNQCLSA-N 392.438 3.753 0 40 GHAB Cc1ccc([C@]2(O)CCN(C(=O)c3cc(-n4cccn4)ccc3Cl)C2)cc1 19715183 HNBQTBQXKZQVMC-NRFANRHFSA-N 381.863 3.568 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H]2c2ccc3c(C)nn(-c4ccccc4)c3n2)cn1 19742354 DMXPGIHNQXCNGI-NRFANRHFSA-N 398.470 3.805 0 40 GHAB Cc1nc([C@H]2CCCN(Cc3ccccc3)C2)ncc1C(=O)N1CCCCC1 19763155 FQKBLQNFWFQZSZ-FQEVSTJZSA-N 378.520 3.791 0 40 GHAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc2nc(O)oc2c1 19936454 JMEMIPUQHXMJNT-UHFFFAOYSA-N 380.425 3.601 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)s1 20000700 ABYZTKRYGKDZBH-UHFFFAOYSA-N 375.899 3.630 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 20495023 RSHWVUWMWCTDOH-SFHVURJKSA-N 398.503 3.784 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccc(OC)cc4)cnn32)cc1 20718270 OEVHBHQSTOTBCJ-SFHVURJKSA-N 392.415 3.739 0 40 GHAB Cc1ccc2c(COC(=O)c3cc(Cl)c4c(c3)OCCO4)cc(=O)oc2c1 21498902 UGPLZNGMFHQZQH-UHFFFAOYSA-N 386.787 3.883 0 40 GHAB O=S(=O)(c1ccc(F)c(F)c1F)N1CCC[C@@H](c2nc3ccccc3o2)C1 24683279 CQBCPBWQSNYQOP-LLVKDONJSA-N 396.390 3.813 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CSc1nc2ccsc2c(=O)n1C 26101104 MKZRCZVOKIBQML-UHFFFAOYSA-N 379.894 3.688 0 40 GHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)C1(C)C 27988791 HJFHVMGLJCACES-DOMZBBRYSA-N 378.519 3.877 0 40 GHAB CC1CCN([C@H](CNC(=O)COc2ccc(F)cc2)c2cccs2)CC1 28293508 RHFPTNARIBBXCT-GOSISDBHSA-N 376.497 3.855 0 40 GHAB CN(Cc1ccsc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32414197 NSMPIENRJVXDCY-CYBMUJFWSA-N 393.306 3.522 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(C(=O)N(C)C)c3)o2)cc1 32901111 IUSZEQOVCVYZFB-UHFFFAOYSA-N 377.444 3.923 0 40 GHAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccncc1 32906617 WNAZSUKKJNZJAT-UHFFFAOYSA-N 385.467 3.801 0 40 GHAB COc1cc(CNC(=O)Cc2ccccc2Cl)ccc1OC[C@@H]1CCCO1 32930379 BXJPSWQUCLVHEN-KRWDZBQOSA-N 389.879 3.765 0 40 GHAB COc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 32932044 WFWXZZXOLFCSEC-INIZCTEOSA-N 381.501 3.838 0 40 GHAB CCC(CC)C(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1 33067836 ZJEYNMAHZULOIA-UHFFFAOYSA-N 379.460 3.957 0 40 GHAB Cc1c2c(C(F)F)cc(=O)n(CCC(=O)Nc3ccc(Cl)cc3)c2nn1C 36621523 OATLIUILZPASET-UHFFFAOYSA-N 394.809 3.663 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)N3CCC(C(=O)N4CCCC4)CC3)ccc2c1 40023396 ZWPNYYFFECTEDJ-KRWDZBQOSA-N 394.515 3.813 0 40 GHAB CC(C)(C)c1ccc(CCC(=O)Nc2nc(CN3CCOCC3)cs2)cc1 40039319 WNXQBUHHKLJCHA-UHFFFAOYSA-N 387.549 3.844 0 40 GHAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)COC2CCCC2)cc1 40141003 GSHBJYLPOOCGFX-HOTGVXAUSA-N 394.537 3.536 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3nnc(-c4ccccc4)o3)c12 45681069 ZBHVQDOQJSZDGL-UHFFFAOYSA-N 376.372 3.816 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC[C@@H]1COc2ccccc2C1 48355184 HRLQKJYRDDKDKM-QGZVFWFLSA-N 393.462 3.538 0 40 GHAB CCOc1ccccc1-c1noc(CN2CCN(c3ccc(F)cc3)CC2)n1 57403274 DNWFAZYOUKKWST-UHFFFAOYSA-N 382.439 3.597 0 40 GHAB CCC(C)(C)n1nnnc1CN(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 57614156 VNTKQUCTCUMLJE-QGZVFWFLSA-N 377.920 3.653 0 40 GHAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(Cc1ccc2c(c1)OCO2)C3 57996614 BNJDIBAZBZORFV-UHFFFAOYSA-N 391.423 3.753 0 40 GHAB biogenic COc1ccc2[nH]cc(C3CCN(C[C@@H](O)COc4ccc(F)cc4)CC3)c2c1 58394093 UIGFVXHZNFQYFQ-GOSISDBHSA-N 398.478 3.935 0 40 GHAB CCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C 60155195 SQPXVQJGGHINPN-SNVBAGLBSA-N 376.375 3.956 0 40 GHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 61972699 CZFQCSSLSWFQKV-XIKOKIGWSA-N 394.452 3.681 0 40 GHAB C[C@H](Oc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cn1)c1ccccc1 65477291 CPUOMOYCKFUXKJ-LPHOPBHVSA-N 379.460 3.847 0 40 GHAB O=C(Cc1ccccc1F)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 65533997 IXLYMWFBFAYLFM-INIZCTEOSA-N 383.398 3.964 0 40 GHAB Cc1cc(NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)n(C(C)(C)C)n1 69071442 SDEBXSYCYBPHCH-AWEZNQCLSA-N 384.402 3.820 0 40 GHAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCCCN1CCCCC1 71326767 WNRLCKGHNFYAJI-UHFFFAOYSA-N 393.944 3.849 0 40 GHAB COc1ccc(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc23)cc1F 71775396 YGVBSNSTIZUGAE-UHFFFAOYSA-N 391.196 3.691 0 40 GHAB O=C(Nc1cnn(Cc2ccc(F)cc2)c1)C1(c2ccccc2)CCOCC1 72265159 JIPYXGBLDAQLDS-UHFFFAOYSA-N 379.435 3.757 0 40 GHAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)cn1C 72304390 SFKOPZQMIFZCLS-LLVKDONJSA-N 384.354 3.627 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@H]2CCCN(C(=O)c3snnc3C)C2)n1 72362665 TWIZXLJZCYLEJO-HNNXBMFYSA-N 395.488 3.757 0 40 GHAB COc1ccccc1CC(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1ccncc1 72390620 SWHWLMFYWSVTQJ-HXUWFJFHSA-N 390.487 3.787 0 40 GHAB O=C(CSc1ccc2nnc(C(F)(F)F)n2n1)Nc1ccccc1Cl 72402181 UIVRAKUWHKGRPK-UHFFFAOYSA-N 387.774 3.527 0 40 GHAB CC(C)(CNC(=O)N1CCN(Cc2cccs2)CC1)c1ccc(F)cc1 78402221 LRIYHOQPCUEVDT-UHFFFAOYSA-N 375.513 3.692 0 40 GHAB CCC(CC)C(=O)N1CCC(NC(=O)[C@@H](C)CCc2ccccc2F)CC1 79649444 KOEPODPEOGJFCH-INIZCTEOSA-N 376.516 3.938 0 40 GHAB COc1ccc(C(=O)CNC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 95472740 CMZJTLAGFGOTTE-UHFFFAOYSA-N 397.434 3.918 0 40 GHAB Cc1nc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)oc1C 96000072 DSJHNWWHZZBXJY-QGZVFWFLSA-N 379.464 3.646 0 40 GHAB CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1ccco1)CC2 96036958 FRDKZFOZYCTQJD-UHFFFAOYSA-N 380.467 3.719 0 40 GHAB COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccc(F)cc1)CC2 96061353 AUPYYUIRSXLTNN-JOCHJYFZSA-N 396.506 3.823 0 40 GHAB Cc1ccc(CN2CCC3(CC2)CN(c2ccc4c(c2)OCO4)C3=O)cc1C 96202979 SHQRTFGPAJVKSG-UHFFFAOYSA-N 378.472 3.661 0 40 GHAB CC[C@](Br)(C(=O)c1ccc(Br)cc1)S(=O)(=O)CC 96518703 WHTCPLJUZPDTON-GFCCVEGCSA-N 398.116 3.568 0 40 GHAB CCCC/N=c1/sc(C(=O)Nc2ccc(F)cc2)cc(=O)n1CCCC 100163905 HKLLUMFOTWKWJZ-XUTLUUPISA-N 377.485 3.802 0 40 GHAB COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)c1 102070985 BOZIWKLEYKRMHR-XMCHAPAWSA-N 393.439 3.840 0 40 GHAB C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 102844541 MDVCMNZZNKSUHU-ZLKJLUDKSA-N 382.432 3.504 0 40 GHAB COc1ccc(CNC(=O)NC[C@@H](OC)c2ccccc2Cl)cc1OC 133390757 HRNLXXIYCCRVSW-GOSISDBHSA-N 378.856 3.544 0 40 GHAB CC(C)(C)OC(=O)CCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 197640357 WDWRIXWNPLSKDD-MRXNPFEDSA-N 379.453 3.658 0 40 GHAB Cc1ccn([C@H](C(=O)c2ccc(Cl)cc2Cl)C(=O)N2CCCC2)c(=O)c1 199402261 RQWOZEXLUIIEPE-QGZVFWFLSA-N 393.270 3.510 0 40 GHAB CCOC[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218571624 WSBPFZSUIWBSBP-AABGKKOBSA-N 393.936 3.570 0 40 GHAB Cc1cc(OC2CCN(C(=O)CCc3ccc(F)c(Cl)c3)CC2)cc(=O)o1 218956067 WKWLXIXOEPTWFC-UHFFFAOYSA-N 393.842 3.743 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1C 219175248 LYRFCVJFPWCMSB-SFHVURJKSA-N 388.533 3.727 0 40 GHAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N1CCN(c2ccc(F)cc2)CC1 222584441 KUBZDNRFFQTMHH-UHFFFAOYSA-N 394.425 3.693 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1C(C)C 222720432 IJFLSLOIDPSXIW-AWEZNQCLSA-N 391.489 3.629 0 40 GHAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)nc1 222818093 QVCSGLHWWCGIAZ-WOJBJXKFSA-N 377.517 3.957 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cc1 223019305 KKADJLYADWAEPI-NHCUHLMSSA-N 392.528 3.800 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 223045975 PEIQRXYSRXFHSC-UHFFFAOYSA-N 388.533 3.940 0 40 GHAB COc1ccc(-c2nnsc2C(=O)OCc2c(OC)cccc2OC)cc1 223838147 OCDYYVPYBFXRLA-UHFFFAOYSA-N 386.429 3.588 0 40 GHAB CCOC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1C 224177310 IZCIXLHQSKGCDN-UHFFFAOYSA-N 383.853 3.635 0 40 GHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCc2ccc(F)cc2)c1 225129068 DJKCDGZRQUGDTL-QNGOZBTKSA-N 392.430 3.857 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c(C)c1 225502048 XSROHHPNFMHNBI-UHFFFAOYSA-N 388.489 3.548 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)c1 225740843 NDQBECADPBWIPP-INIZCTEOSA-N 397.544 3.991 0 40 GHAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225787401 VSVGMBJSQSTQHW-HNNXBMFYSA-N 399.516 3.576 0 40 GHAB COc1ccc(-c2cc3ccccc3oc2=O)cc1N(C)C(=O)C(F)(F)F 226358336 AXUSVCZYABBMGA-UHFFFAOYSA-N 377.318 3.994 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC2)OCC[C@H]3CCOCC2CC2)cc1F 248119137 RAJYTRIPGQNCCS-LJQANCHMSA-N 375.484 3.962 0 40 GHAB Cc1ccc(CN2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1C 257235758 GZHHFDPZOAMIDN-NRFANRHFSA-N 394.563 3.767 0 40 GHAB c1cncc(-c2cnc3ncn(C4CCN(Cc5ccsc5)CC4)c3n2)c1 306144532 ZICBXEMJMUMFFT-UHFFFAOYSA-N 376.489 3.787 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 408561084 GKZNQJKTDJWMJU-OAHLLOKOSA-N 375.494 3.600 0 40 GHAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cccc(C)c1C 408648286 WWWHJOUFNNVLNV-UHFFFAOYSA-N 382.460 3.766 0 40 GHAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 408711418 VDNSCJWVPHCCGI-FTRWYGJKSA-N 384.501 3.714 0 40 GHAB O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@@H]1CC12CCCC2 531092816 HDSJFSPMBYNPCS-AWEZNQCLSA-N 375.270 3.608 0 40 GHAB O=C(NCc1nccnc1-c1ccco1)Nc1nc(-c2ccccn2)cs1 575618368 HHLLHOXLEPCWFS-UHFFFAOYSA-N 378.417 3.577 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3cc4ccccc4c(=O)s3)cc2)CC1 585263559 NFHRHZGHRYAGSV-UHFFFAOYSA-N 393.512 3.656 0 40 GHAB Oc1nc(CCN2CCC(c3ccc4cccnc4n3)CC2)nc2ccccc12 653806103 IYMRDSAFMXZDLQ-UHFFFAOYSA-N 385.471 3.701 0 40 GHAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)c3cccnc3C)C2)N1C 2037946860 IIILVZSOCUPEJW-UXHICEINSA-N 378.520 3.619 0 40 GHAB COc1ccc2oc(=O)c(C(=O)NCCc3c(C)[nH]c4ccccc34)cc2c1 719036 SKHWQULFQBXYPD-UHFFFAOYSA-N 376.412 3.564 0 40 GHAB COc1ccc2cc(C)c3nnc(SCC(=O)NCc4ccccc4)n3c2c1 877256 QFKWLVPMYCDPNY-UHFFFAOYSA-N 392.484 3.608 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2cccc(F)c2)n1C 904838 WMNBRJQXZKSBGR-UHFFFAOYSA-N 386.452 3.572 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2C[C@@H]2CCCO2)c1 905360 GSPVKPVHKNBBJZ-INIZCTEOSA-N 398.488 3.756 0 40 GHAB Cc1ccc(C)c(-c2csc(NC(=O)[C@@H]3CSC(C)(C)N3C=O)n2)c1 938027 GPDWKZQGEJXOHQ-HNNXBMFYSA-N 375.519 3.675 0 40 GHAB Cc1nc2sc3c(c2c(=O)n1NC(=O)CSc1ccccc1)CCCC3 1274588 BYXYHZHPHHZDJC-UHFFFAOYSA-N 385.514 3.508 0 40 GHAB CCc1ccccc1-n1c(SCC(=O)N(CC)CC)nnc1-c1ccccn1 1362525 JPCKYICIGLKAOP-UHFFFAOYSA-N 395.532 3.852 0 40 GHAB COc1cc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(OC)cc1Cl 2275853 GPMXYXVRDGSPRY-QGZVFWFLSA-N 379.796 3.656 0 40 GHAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(C(=O)O)c1C 2432622 PBQSCEQFVASBQP-UHFFFAOYSA-N 394.452 3.982 0 40 GHAB Cc1ccc(C)c(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)c1 2974524 KXQUOLFDBZQPQU-DEOSSOPVSA-N 393.507 3.725 0 40 GHAB CC(C)NC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[nH]c2c1 3043619 OSJFWYMPCABMBG-UHFFFAOYSA-N 387.892 3.899 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)c1ccc[nH]1 3341511 NVGJFMZPKBOXQD-UHFFFAOYSA-N 379.420 3.772 0 40 GHAB O=C(CN1CCCC1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 3349230 PRLOLGQJJDBDLA-UHFFFAOYSA-N 391.393 3.992 0 40 GHAB CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 3593710 CNQIVEHWJKXOSL-NRFANRHFSA-N 399.878 3.869 0 40 GHAB CSc1nnc(CNC(=O)c2cccc(F)c2)n1-c1cccc(Cl)c1 4059327 SVWWXKIDZWTZTD-UHFFFAOYSA-N 376.844 3.712 0 40 GHAB Cc1cc2nnc(SCC(=O)Nc3ccccc3C(=O)O)n2c2ccccc12 4172046 NTKRCBUZMYLIKL-UHFFFAOYSA-N 392.440 3.620 0 40 GHAB CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccccc3)[C@H]2C1=O 4279915 RJSQHGJCDADIRW-QRVBRYPASA-N 384.863 3.987 0 40 GHAB Cc1ccc(-n2nnnc2CNC(=O)C(c2ccccc2)c2ccccc2)cc1C 4376006 YLERYLPKULBYOC-UHFFFAOYSA-N 397.482 3.727 0 40 GHAB CCCCCOC(=O)O[C@H](C)CNC(=O)[C@@H](C)OC(=O)OCCCCC 4403992 ZHNDTAJAVNKQMY-HUUCEWRRSA-N 375.462 3.566 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 5212183 PMTKKDWISWWFEN-VQIMIIECSA-N 394.471 3.791 0 40 GHAB CCOC(=O)/C=C/C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 5472364 WNRMZMHFYCEWFU-BQYQJAHWSA-N 381.251 3.630 0 40 GHAB COc1cccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c1OC 6364681 PUSRXARGBCSOPN-GOSISDBHSA-N 387.505 3.961 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 6494576 UWHYIQOWJYWGBN-CXUHLZMHSA-N 386.360 3.653 0 40 GHAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NCCC1=CCCCC1 6566651 QJTOZBPYEPEWHS-UHFFFAOYSA-N 387.461 3.564 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(C)cc1)S2 6811784 PYQLDQLNCLLYPZ-QZTJIDSGSA-N 379.489 3.547 0 40 GHAB CCn1c2ccccc2c2nnc(S[C@@H](C(=O)N(C)C)c3ccccc3)nc21 6830523 QABUUBNINSFUPL-GOSISDBHSA-N 391.500 3.921 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(C2CC2)n1C1CC1 7551126 VAKFRLHSCBNBME-UHFFFAOYSA-N 399.545 3.851 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(F)c(F)c1 7969162 UJHROTAMXPTYNJ-UHFFFAOYSA-N 394.443 3.700 0 40 GHAB COc1cc(CN(C)CC(=O)N[C@@H](C)c2ccccc2)ccc1OC(F)F 7976970 YVFNOAJQEOOENY-AWEZNQCLSA-N 378.419 3.606 0 40 GHAB COc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1OC(F)F 7986512 NLJHSIKNGYLFOW-UHFFFAOYSA-N 396.415 3.588 0 40 GHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 8041661 JHCDIILZINLSIR-UHFFFAOYSA-N 384.860 3.664 0 40 GHAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)c1 8414638 KWOQZJMDNHOCBQ-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NCCCOC 8478082 YNKGSGUZWZRXBA-HXUWFJFHSA-N 384.476 3.557 0 40 GHAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1NCc1cccnc1 8844609 NGFYOUOFLXTRQA-UHFFFAOYSA-N 399.403 3.914 0 40 GHAB CN(c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1)S(C)(=O)=O 9427009 PJCSXPHOLHSKHP-UHFFFAOYSA-N 394.496 3.602 0 40 GHAB O=C(c1ccco1)N1CCC2(CC1)C[C@@]1(CO2)Nc2ccccc2-n2cccc21 12120926 JJEHIAPCACEBCW-QHCPKHFHSA-N 389.455 3.786 0 40 GHAB CC(=O)N1c2ccc(NC(=O)c3c(-c4ccncc4)noc3C)cc2C[C@H]1C 12204344 ZQPYJONGXPUAAT-GFCCVEGCSA-N 376.416 3.595 0 40 GHAB O[C@@H](CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2ccccc2c1 12292300 ZXDHLFIMIQVJNC-NRFANRHFSA-N 391.467 3.586 0 40 GHAB Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4cccc(F)c4)CN3C)n2)cc1 12529745 RBSIIGFFBKEJDI-ROUUACIJSA-N 395.438 3.751 0 40 GHAB biogenic,in-vitro COc1ccccc1-n1cnn(CN2CCN(c3cccc(C)c3)CC2)c1=S 12563790 RXWSWSGSCQQILD-UHFFFAOYSA-N 395.532 3.500 0 40 GHAB O=C(Nc1ccnn1Cc1ccccc1Br)[C@H]1Cc2ccccc2O1 12939583 RDAZCWCUWXVYQB-QGZVFWFLSA-N 398.260 3.636 0 40 GHAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC[C@H]1c1cccs1 13075614 JXTHNWLWTWSROU-KRWDZBQOSA-N 390.530 3.510 0 40 GHAB O=C(c1ccccc1C(F)(F)F)N1CCC(C(=O)O)(c2ccccc2)CC1 13185119 NMLIWZCZAPPTNC-UHFFFAOYSA-N 377.362 3.964 0 40 GHAB Cn1c(CSc2ccccn2)c(Br)c(=O)n1-c1ccccc1 13208142 MWFLGLXQECFGEP-UHFFFAOYSA-N 376.279 3.626 0 40 GHAB O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCN(c2cnccn2)CC1 14022626 TZXJRUUZOQYKAP-NRFANRHFSA-N 390.512 3.659 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(Oc2ccc(F)cc2)cc1 14199088 FPOPSSYCROMVOP-UHFFFAOYSA-N 392.386 3.842 0 40 GHAB COCCN1C(=S)N[C@H](c2cccc(F)c2)C(C(=O)Nc2ccccc2)=C1C 14254676 HUNXWZKCBNWRCE-LJQANCHMSA-N 399.491 3.616 0 40 GHAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1OC 14574467 WSXRDTNKTFIGRH-UHFFFAOYSA-N 392.337 3.556 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1C(=O)O 14632450 KPXBGHADVWKHSS-ONGXEEELSA-N 376.236 3.835 0 40 GHAB in-vitro CCOC(=O)c1sc(N(C(=O)/C=C/c2cnn(CC)c2C)C(C)C)nc1C 17079743 YOSBLDSJCUWQMR-MDZDMXLPSA-N 390.509 3.608 0 40 GHAB Cc1cc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)no2)c(C)n1Cc1ccco1 17275831 OZIRISMSXWHAOG-UHFFFAOYSA-N 399.447 3.827 0 40 GHAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)Cc2ccc(C)cc2)c2ccccc21 17287465 IHOGSGPBHGJPNU-UHFFFAOYSA-N 398.528 3.792 0 40 GHAB Cc1sc2ncnc(N3CCC(C(=O)N(C)Cc4ccco4)CC3)c2c1C 17790977 GSWSQVJKDNMUEB-UHFFFAOYSA-N 384.505 3.776 0 40 GHAB NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccc(F)cc2)C1 19331710 UZGFQULJKLTQFE-DEOSSOPVSA-N 389.474 3.808 0 40 GHAB O[C@@H]1CC2(CCN(C[C@H](O)c3c[nH]c4ccc(F)cc34)CC2)Oc2ccccc21 19374897 QUDNUGSXUNYYOT-RTWAWAEBSA-N 396.462 3.691 0 40 GHAB COc1cc(CN2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@H]3C2)ccc1O 19569218 QLSDPSXDBKELMS-WCAVRKLYSA-N 383.488 3.529 0 40 GHAB COc1ccc(-c2cc(C(=O)/N=c3\[nH]cc(-c4ccc(F)cc4)n3C)on2)cc1 19717187 NABHAOCFWYVXHA-UHFFFAOYSA-N 392.390 3.564 0 40 GHAB Cc1c(C(=O)N2CCN(CCc3ccncc3)CC2)oc2ccc(Cl)cc12 20896987 QNFOZAVHVAESHD-UHFFFAOYSA-N 383.879 3.790 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)c1ccc2ccccc2n1)N1CCCC1 22679717 PTCOOFIWFLIJAP-OAQYLSRUSA-N 375.472 3.810 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)cc1 23370952 WZJKWROVEKQOOP-UHFFFAOYSA-N 382.489 3.781 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCc3ccccc3C2)nc1 25765622 SJYFCOBGDJFITH-UHFFFAOYSA-N 393.512 3.860 0 40 GHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc2c(c1)OCO2 27686336 JYYSGSFXVIGJFM-RDJZCZTQSA-N 395.459 3.537 0 40 GHAB O=C1CNC(=O)N1CCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 28007159 ARWKGAUXTOWFSB-UHFFFAOYSA-N 379.441 3.653 0 40 GHAB CCCn1c(NC(=O)c2nn(CC)cc2Br)nc2ccccc21 28235078 YTDMRBRPSPVYDU-UHFFFAOYSA-N 376.258 3.678 0 40 GHAB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)cc1C 28497799 KXRHWWAWFNRIDS-PZDOZLBDSA-N 377.488 3.913 0 40 GHAB COc1ccccc1N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S 28976973 LCSMSSAZMPYOKZ-OQLLNIDSSA-N 388.426 3.715 0 40 GHAB CCCCNC(=O)C1CCN([C@H](C)C(=O)Nc2cccc3ccccc23)CC1 29927086 YGUBGWCNNRHHRL-QGZVFWFLSA-N 381.520 3.795 0 40 GHAB COc1ccc(C)cc1NC(=O)CNC(=O)c1cc(-c2cccc(Cl)c2)on1 30041307 IXVHYXAFLGQILB-UHFFFAOYSA-N 399.834 3.681 0 40 GHAB Cc1ccc(Cn2ccs/c2=N\C(=O)c2cccc(C[S@@](C)=O)c2)cc1 30990497 MSRFWRWAOGJMFH-KCUBIPCFSA-N 384.526 3.526 0 40 GHAB C[C@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)c1cccc(Cl)c1 32666624 XGBXSWNFRMRXQE-ZDUSSCGKSA-N 384.819 3.637 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)N(C)CCOc1ccc(Cl)cc1 32738163 DIDQPWPVLQXKAE-UHFFFAOYSA-N 385.851 3.685 0 40 GHAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1 32754923 RISDRYDBYHCCTF-UHFFFAOYSA-N 384.860 3.762 0 40 GHAB CCOc1cc2c(cc1NC(=O)[C@H]1CC(c3cccc(F)c3)=NO1)O[C@@H](C)C2 33162652 DEAJDOHPZLIQBJ-FKIZINRSSA-N 384.407 3.680 0 40 GHAB CCN(CC)C(=O)c1cnc2ccccc2c1S(=O)(=O)c1cccc(OC)c1 33249453 RBXSOXYAJYIDSF-UHFFFAOYSA-N 398.484 3.558 0 40 GHAB COc1cccc([C@@H](CNC(=O)c2ccccc2OC(F)F)N2CCCC2)c1 36701099 QAHLEUJDPXVMRR-GOSISDBHSA-N 390.430 3.864 0 40 GHAB C[C@H]1Cc2ccc(-c3cc(CNC(=O)c4cc(-c5ccco5)on4)no3)cc2O1 38755358 XRNVJNLDFMBNCH-LBPRGKRZSA-N 391.383 3.843 0 40 GHAB CSc1ccc(C(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 39546912 NHEXKZLNFTVLNC-QGZVFWFLSA-N 387.482 3.638 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)CCn2c(C)csc2=O)cn1 40090820 XJOGVSNPGSCPDB-UHFFFAOYSA-N 399.472 3.751 0 40 GHAB C[C@@H](Cc1ccccc1Cl)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 40111988 HKGFKHINBYEKGB-ZDUSSCGKSA-N 393.318 3.747 0 40 GHAB Cc1ccc([C@]2(O)c3ccccc3C(=O)N2Cc2cn3ccccc3n2)cc1C 40158666 CGRGMBNWCORVKT-DEOSSOPVSA-N 383.451 3.801 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1N1CCCC1=O 44945783 HZTSGOSZAVOXPT-UHFFFAOYSA-N 398.406 3.941 0 40 GHAB Cc1cc(C)c2oc(-c3cc(N4C[C@@H](C(N)=O)CC4=O)ccc3Cl)nc2c1 45887542 GWYYLCVZAGHNNL-LBPRGKRZSA-N 383.835 3.603 0 40 GHAB Cc1cccc(CN2C(=O)N(c3cccc(F)c3)c3ncccc3S2(=O)=O)c1 49420958 RBTWTEUBKRSPHA-UHFFFAOYSA-N 397.431 3.992 0 40 GHAB COc1cc2nc(CN[C@@H](C)c3ccc4c(c3)CCCC4)[nH]c(=O)c2cc1OC 49581079 ABYBALSPIOXTJY-AWEZNQCLSA-N 393.487 3.670 0 40 GHAB C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)sc2C1 55160562 QFBQJIZGQVTBOU-WFASDCNBSA-N 389.546 3.502 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1C 55577183 OBAVXXUZBRJVNX-UHFFFAOYSA-N 385.489 3.915 0 40 GHAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(Cl)ccc3C)CC2)cc1C 57486165 MKAZAOAPPJEGHD-UHFFFAOYSA-N 399.922 3.662 0 40 GHAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNc2cncc(-n3cccn3)n2)C1 57992297 DUBNLWVKSSSOCH-QZTJIDSGSA-N 376.508 3.752 0 40 GHAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccnc(-n2ccnc2)c1 58195286 IZAKFLWTZPJVGV-UHFFFAOYSA-N 379.420 3.706 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2)n1 61378480 YYXSJLSBUUAREB-UHFFFAOYSA-N 387.443 3.528 0 40 GHAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)n1c(S)nnc1-c1cccs1 64334236 XHUAQSYPCOSIHT-JTQLQIEISA-N 378.910 3.826 0 40 GHAB C[C@H]1CN(c2ccc(NC(=O)Nc3cccc4cccnc34)cn2)C[C@H](C)O1 68626040 WLRFQXIVBKSYHS-GJZGRUSLSA-N 377.448 3.887 0 40 GHAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccc[nH]c1=O 69325244 KZSATIOLJDWSLH-UHFFFAOYSA-N 389.411 3.964 0 40 GHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 69349071 JMELSCGVKZUBBG-LJQANCHMSA-N 377.362 3.836 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 70776048 WBNNEVBNSVZMHQ-ZDUSSCGKSA-N 380.897 3.978 0 40 GHAB Cc1ccc(C)c(CSc2nc3ccc(Br)cc3c(=O)n2N)c1 71768767 RBYBDJSVRGQVMC-UHFFFAOYSA-N 390.306 3.782 0 40 GHAB CN1CCC(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)CC1 72350379 NOXCEPLEJUAXIS-LJQANCHMSA-N 381.495 3.936 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2nc(C(C)C)cs2)c1 84210771 HZHITSWHHIRZNF-HNNXBMFYSA-N 375.519 3.729 0 40 GHAB O=C(CCC(=O)c1ccc(Cl)s1)NCc1ccc(N2CCOC2=O)cc1 96008687 TYFORYHHCHUAJV-UHFFFAOYSA-N 392.864 3.637 0 40 GHAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3OCC(=O)c3ccccc3)C(=O)[C@@H]2C1 100838525 NQUSDZVGNBFUCT-BPQIPLTHSA-N 377.440 3.874 0 40 GHAB CCOC(=O)[C@H](C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 103212271 PFRRINIMSRUQHA-TULYMBKGSA-N 396.524 3.600 0 40 GHAB COc1c([C@@H](O)CC(C)C)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)O 207173757 UBLWVDAGKZUFHH-HNNXBMFYSA-N 390.432 3.772 0 40 GHAB biogenic,in-vitro CC[C@@H](NC(=O)c1ccccc1OC(C)C)c1ccc(S(C)(=O)=O)cc1 219745910 XXSZYGIKEKSDBL-GOSISDBHSA-N 375.490 3.758 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220470255 PPRLRANBTVQTAY-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 222908835 WONLZGWCKMMDFA-UXHICEINSA-N 377.517 3.896 0 40 GHAB C[C@H]1Cc2cc(S(=O)(=O)Nc3nccs3)ccc2N1C(=O)c1ccccc1 223269489 JNSORBSULNTCLG-ZDUSSCGKSA-N 399.497 3.535 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1F 223544302 UCFDQRADTZMMMS-INIZCTEOSA-N 388.508 3.612 0 40 GHAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1 223675298 SIICHOMSPFLJDU-OAQYLSRUSA-N 380.532 3.994 0 40 GHAB CC1CCN(c2ccc(NC(=S)NCc3ccc4c(c3)OCCO4)cn2)CC1 224050669 MCTQBVQNWKJKIN-UHFFFAOYSA-N 398.532 3.576 0 40 GHAB CCCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 224053283 KQPWOGALPPIBQW-UHFFFAOYSA-N 380.897 3.979 0 40 GHAB CC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1Cl 224068439 DUCDWKMFMAQWOF-LBPRGKRZSA-N 396.896 3.678 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 224350967 MMTOJDCRGWBXFG-IBGZPJMESA-N 390.886 3.965 0 40 GHAB CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224955091 KQWZYKWUYMYHAQ-UHFFFAOYSA-N 385.869 3.581 0 40 GHAB O=C(O)C[C@@H](NC(=S)Nc1ccc2sncc2c1)c1ccc(F)cc1 225214729 ZCDGERAPSUGOTO-CQSZACIVSA-N 375.450 3.938 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2nnc(SC(C)C)s2)c(OC)c1OC 225576366 OBQZMHXWZKYLFE-VQHVLOKHSA-N 395.506 3.716 0 40 GHAB COc1ccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)c2cccnc12 225732355 VODKAACKBDCRNE-HZPDHXFCSA-N 386.565 3.898 0 40 GHAB CCOC(=O)Cc1ccc(NC(=O)c2snnc2-c2ccc(OC)cc2)cc1 225887599 PCWQQRMCOYIZQV-UHFFFAOYSA-N 397.456 3.572 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@@]3(C[C@@H](Oc4cccc(Cl)c4)CO3)C2)n1 257342345 ZOFKIGPTEMUSNB-WIYYLYMNSA-N 386.879 3.886 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2N1Cc1ccccc1 306138001 RMKDPPYETDNTHO-FGZHOGPDSA-N 375.447 3.709 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2N1Cc1ccccn1 306142311 WVUWSWBQLAEWLW-RTWAWAEBSA-N 392.890 3.618 0 40 GHAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCC1(c2ccccn2)CCC1 514866741 VQJHRFCYFVVNND-UHFFFAOYSA-N 384.423 3.642 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nccnc1-c1cccnc1 575619654 LKQIMLAQWKJYAU-UHFFFAOYSA-N 382.851 3.666 0 40 GHAB COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCO[C@@H](C(F)F)C2)c1 585080699 LYKDLSCTPVGBNL-QGZVFWFLSA-N 379.451 3.780 0 40 GHAB CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@@H]1C[C@@H]1C)C2 585106660 DRIFFLSOLUZIPY-YZZKKUAISA-N 378.520 3.822 0 40 GHAB Cc1ncccc1OC[C@@H]1CCCN1C(=O)c1cc(C)n(C2CCOCC2)c1C 616350777 NPSKNPLYRXOHBD-FQEVSTJZSA-N 397.519 3.843 0 40 GHAB O=C(Nc1cnc(-c2ccccc2)nc1)N[C@H](C[C@H]1CCCO1)C(F)(F)F 653948674 CXMCZLCWDFDEMA-HUUCEWRRSA-N 380.370 3.765 0 40 GHAB Cn1cc([C@H]2CCCN(C(=O)CCc3ccccc3Br)C2)cn1 681289118 KYBBTCLBZHRNOM-HNNXBMFYSA-N 376.298 3.521 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccc(Sc3ccc(Cl)cc3)o2)nn1C 1150024954 GDLMCGSIRDMWPT-UHFFFAOYSA-N 391.836 3.857 0 40 GHAB C[C@@H]1[C@@H](CNC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)CCC[C@H]1C 1227437662 JSDGYTHFTSZLBJ-FGTMMUONSA-N 392.588 3.865 0 40 GHAB Cc1cc(C)n(Cc2nnc(N3CCC4(CCCCC4)CC3)n2CC(F)F)n1 1548451878 RJMLGDLTHXNEED-UHFFFAOYSA-N 392.498 3.956 0 40 GHAB CN(CC1CCN(c2nnc(C3CC3)s2)CC1)c1ncnc(C2CC2)c1F 1888879402 MOYRYCWGDAXEDW-UHFFFAOYSA-N 388.516 3.575 0 40 GHAB O=C(CCN1CCCC1)Nc1cscc1S(=O)(=O)c1ccc(Cl)cc1 2037846140 QHFXSBNHRKUQBY-UHFFFAOYSA-N 398.937 3.659 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](c2ccccc2)CC1=O 623720 ZGIRNJIVTOSTPT-HNNXBMFYSA-N 387.277 3.712 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 779378 RACQZMKDUVYXRR-GFCCVEGCSA-N 381.885 3.795 0 40 GHAB Cc1cccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C 790762 JVAUIXUBCUXUBH-LBPRGKRZSA-N 381.501 3.838 0 40 GHAB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)N1CCCCC1 872536 TYPIUTBXELVMSN-UHFFFAOYSA-N 382.283 3.604 0 40 GHAB Cc1nc2sc3c(c2c2nc(-c4ccc5c(c4)OCO5)nn12)CC(C)(C)OC3 2223524 FPCPPBHSEUHKMK-UHFFFAOYSA-N 394.456 3.894 0 40 GHAB O=C1c2cccc3c(N4CCNCC4)ccc(c23)C(=O)N1c1ccccc1Cl 3030997 AZYWBPNOHRELIR-UHFFFAOYSA-N 391.858 3.703 0 40 GHAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(F)c(F)c1 4033150 GODJSNFUAFIPPB-UHFFFAOYSA-N 380.354 3.935 0 40 GHAB COc1ccc(C)c2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc12 4292213 QBZAWTAMKFASPT-UHFFFAOYSA-N 395.440 3.519 0 40 GHAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3OCC)CC2=O)cc1 4454442 GTXODJAVGJEANG-INIZCTEOSA-N 382.460 3.866 0 40 GHAB Cc1ccc(Cl)c2sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)nc12 4496430 JYYNBZSJLIUZJO-UHFFFAOYSA-N 398.868 3.810 0 40 GHAB Cc1sc2nc(CSCC(=O)c3cc(C)n(C)c3C)[nH]c(=O)c2c1C 5254946 MWHQIIUMLBSHMT-UHFFFAOYSA-N 375.519 3.673 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 5263038 WRCDTOVRDBKQTN-UHFFFAOYSA-N 395.422 3.573 0 40 GHAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1Cl 5278416 RYFPKSLDBSUVMM-UHFFFAOYSA-N 378.881 3.613 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1C 5329592 RFJYBZDBQFGUPU-UHFFFAOYSA-N 388.489 3.548 0 40 GHAB CCOc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 5439550 UZHFRHICIGUGRS-UHFFFAOYSA-N 388.489 3.576 0 40 GHAB COc1ccc(C(C)=O)cc1Cn1cnc2c(Cl)cc(Cl)cc2c1=O 6609678 BVRQYWUQVYMVCV-UHFFFAOYSA-N 377.227 3.963 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(Cc2cccs2)n1C 6787793 FYHOYAXMBYNMTJ-ZDUSSCGKSA-N 384.530 3.537 0 40 GHAB Cc1ccc(OCc2ccc(C(=O)N3N=CC[C@]3(O)C(F)(F)F)o2)c(C)c1 6922423 XAFAELJDVXIHKI-KRWDZBQOSA-N 382.338 3.558 0 40 GHAB CCCCCn1c(S[C@H](C)C(=O)NCC)nc2cc(Cl)ccc2c1=O 7504319 LYUWURUAYNDASF-GFCCVEGCSA-N 381.929 3.857 0 40 GHAB CCOc1ccccc1/C=C/C(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 7777949 MOOWEAAAFLLMNR-JLHYYAGUSA-N 378.472 3.650 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 7881622 UTLSUGWEXLNJPD-HKUYNNGSSA-N 379.456 3.779 0 40 GHAB C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 8231235 MFYPGMARWWHVKO-ZDUSSCGKSA-N 381.461 3.920 0 40 GHAB O=C(O)C[C@@H]1Sc2nnc(-c3ccc(Cl)cc3)n2N=C1c1cccs1 8391801 GULWQMZMTANICX-LBPRGKRZSA-N 390.877 3.861 0 40 GHAB Cc1cccc(C(=O)N(Cc2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)c1 8869716 NFHDIQCWUCYNIP-OAQYLSRUSA-N 393.508 3.978 0 40 GHAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(NC(C)C)s2)c1C 9052519 MCTCEYYKPQOVFS-GFCCVEGCSA-N 382.555 3.959 0 40 GHAB Cc1cc(C)c2c(n1)sc1c(=O)n([C@@H](C)C(=O)NC3CCCCC3)cnc12 9478179 KJFAFJYNIZNIBD-ZDUSSCGKSA-N 384.505 3.633 0 40 GHAB O=C(CSc1ccc2c(c1)CCC2)Nc1cccc(-c2nnnn2C2CC2)c1 9710335 HNOPVLSCPDLGOR-UHFFFAOYSA-N 391.500 3.895 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)N(C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 9850400 AFXASYRGUJOLLQ-HKUYNNGSSA-N 385.504 3.650 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)NCCc3ccc(-n4cccn4)cc3)cc2)n1 10222243 MHQUPSBFKIYRSI-UHFFFAOYSA-N 385.471 3.647 0 40 GHAB CSc1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10362144 OECKRRZTWUAWPY-OAHLLOKOSA-N 392.546 3.819 0 40 GHAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(c2ccc(F)cc2)CC1 11332326 GQIDIURBFGEVOO-UHFFFAOYSA-N 397.425 3.901 0 40 GHAB O=C(NCCc1nc(-c2ccncc2)n[nH]1)C1(c2ccc(Cl)cc2)CCCC1 12114870 YTTNCMXWEYRCJJ-UHFFFAOYSA-N 395.894 3.691 0 40 GHAB COc1ccc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)c(OC)c1 12118157 GBSLNTLDLGPYAE-UHFFFAOYSA-N 390.443 3.652 0 40 GHAB Cc1ccc(-c2cc(C(=O)OCC(=O)N3CCCCC3)c3c(C)noc3n2)cc1 12177154 OKLYTFCXERAWBH-UHFFFAOYSA-N 393.443 3.676 0 40 GHAB COc1ccc(CNc2ncc(-c3cnccn3)c(-c3ccco3)n2)cc1OC 12184665 WTFQIWHEFOKWAS-UHFFFAOYSA-N 389.415 3.823 0 40 GHAB COc1ccccc1NCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O 12222943 VDYSKRKLZGDPAJ-UHFFFAOYSA-N 378.407 3.782 0 40 GHAB Cc1cc(-c2snnc2C2CCN(C(=O)Cc3ccccc3C)CC2)on1 12224139 ZNOHJYKBCHCIPE-UHFFFAOYSA-N 382.489 3.759 0 40 GHAB Cn1nccc1C(=O)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1 12444247 PRQZQWXDMCICNE-UHFFFAOYSA-N 383.864 3.925 0 40 GHAB COc1ccccc1CN(C)c1nsc(N(C)Cc2ccccc2OC)n1 12791382 BFDSLHOEKQTNFC-UHFFFAOYSA-N 384.505 3.828 0 40 GHAB Cc1ccccc1CC(=O)Nc1nc(C)c(-c2nnc(S)n2C2CC2)s1 12821976 WLTOMMNMJNQDQO-UHFFFAOYSA-N 385.518 3.823 0 40 GHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1CCCCC1 12919582 JWZVXDIGVSTHPG-UHFFFAOYSA-N 379.382 3.703 0 40 GHAB COc1cccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c1OC(C)C 14009303 UJUSHDZCAOUJEG-BOPFTXTBSA-N 384.407 3.714 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)CCCOc1ccc(C(C)=O)cc1 14196928 AMMKNBZRIKFTPL-UHFFFAOYSA-N 384.432 3.654 0 40 GHAB CC(C)Nc1nn(CN(C)Cc2cnn(Cc3ccccc3)c2)c(=S)s1 14244933 MJHNWJHHXDNKDR-UHFFFAOYSA-N 388.566 3.829 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1Cl 14428764 OZJSHUHLPKUKEU-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB O=C(CSc1nc(CCC2CCCC2)n[nH]1)NCCc1ccc(F)cc1 14805608 UQHWVRQWYGABBM-UHFFFAOYSA-N 376.501 3.518 0 40 GHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc(F)c1 15396872 FEMBBISYDMCPMR-UHFFFAOYSA-N 384.432 3.660 0 40 GHAB CCCCCOc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1 15831571 ZXRYVNZKYAATAV-OAQYLSRUSA-N 388.552 3.973 0 40 GHAB O=C(CNCc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 15936010 GZAWMPYHXAUIHH-UHFFFAOYSA-N 385.895 3.694 0 40 GHAB O=C(c1cc(Cl)ccc1F)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 18046045 XYHLTRJQTISQJN-UHFFFAOYSA-N 387.764 3.855 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 18060231 GHLIMWIJQCNBJO-HDICACEKSA-N 393.483 3.887 0 40 GHAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)on1 19121064 DCECLGUCMBLUQM-HNNXBMFYSA-N 392.868 3.552 0 40 GHAB c1ccc(C[C@@H]2CN3CCC[C@H]3CN2Cc2cncn2Cc2ccccc2)cc1 19372755 PNARBDWRYZXVJP-BJKOFHAPSA-N 386.543 3.823 0 40 GHAB Cc1cc(CN2CCC(c3nc(O)cc(-c4cccnc4)n3)CC2)cc(C)c1O 19569980 BHRXGNVMTLEGDG-UHFFFAOYSA-N 390.487 3.946 0 40 GHAB Cc1cccc(-c2nc(CSc3nc4c(=O)[nH]c(C)nc4n3C)c(C)o2)c1 19625839 MKJTVDAPYXUJNV-UHFFFAOYSA-N 381.461 3.529 0 40 GHAB biogenic,in-vitro Cc1cc(C)cc(OCC(=O)N2N=C3CC[C@H](C)C[C@H]3[C@]2(O)C(F)(F)F)c1 20034253 CGHKVGYQAFNXNA-POHZPAGDSA-N 384.398 3.568 0 40 GHAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1 20139936 CNRCJCBOLKXPQG-OAQYLSRUSA-N 390.535 3.730 0 40 GHAB CC(C)C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 20457775 DQCDJDWDMABWNB-FQEVSTJZSA-N 386.517 3.879 0 40 GHAB CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)cc1 20556373 YEEORMMFGSFZTP-UHFFFAOYSA-N 389.499 3.536 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 20765905 JFFMJOJZDSNJJP-MRXNPFEDSA-N 386.517 3.665 0 40 GHAB COc1cc(/C=C/C(=O)OC[C@H]2CCCO2)ccc1OCc1c(C)noc1C 21976318 SSWYDOJJRARHJF-UGAXZCSASA-N 387.432 3.614 0 40 GHAB COc1cc(N[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1N1CCCC1=O 22792028 SXILVKWJILVWJV-KYHPRHEASA-N 387.524 3.563 0 40 GHAB CCOc1cc2c(cc1OCC)CN(C(=O)[C@H]1COc3ccccc3C1)CC2 24355214 DEZVGKQJPRXCOJ-LJQANCHMSA-N 381.472 3.620 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c(C)c3)C2)s1 27400280 FAVKBJDIFVFYCG-MRXNPFEDSA-N 392.546 3.713 0 40 GHAB O=C(c1ccccc1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 27746043 YNKHELLRDQQULO-INIZCTEOSA-N 398.311 3.823 0 40 GHAB COc1ccc(-c2csc(NC(=O)[C@@H](C)OCC(F)(F)F)n2)c(OC)c1 31685447 GKYAWOJTFVQWQD-SECBINFHSA-N 390.383 3.733 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)c1cn(-c2ccccc2Br)nn1 32815558 DYJHEOIIVYWDPG-LBPRGKRZSA-N 383.249 3.621 0 40 GHAB Cc1cc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c2c(C)nn(C)c2n1 34862873 YJBWNUYOQFQFJL-SFHVURJKSA-N 376.464 3.589 0 40 GHAB CCC(C)(C)NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 35903696 JFFCYNOGAHNGBT-UHFFFAOYSA-N 393.578 3.792 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1ccccc1OC(F)(F)F 36705665 XRGUOIUDZHSQQQ-SJCJKPOMSA-N 381.350 3.772 0 40 GHAB Cn1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)n1 40073846 XEHUEIIABRIZJJ-UHFFFAOYSA-N 375.354 3.754 0 40 GHAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3cccc(C(N)=O)c3)c12 40130576 GVGLDLSJOLLUIP-UHFFFAOYSA-N 393.491 3.969 0 40 GHAB CC(C)N(C)Cc1ccccc1CNC(=O)c1ccc(NC(=O)NC2CC2)cc1 48363541 PFVLTIFQZXMNRL-UHFFFAOYSA-N 394.519 3.741 0 40 GHAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(Br)o1 48374988 URAFZSLFKYCKNL-UHFFFAOYSA-N 378.270 3.748 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)CCS(=O)(=O)C3CCCC3)ccc2o1 52642002 LZPLJFAYULLWHR-UHFFFAOYSA-N 378.494 3.811 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C)CCc3ccccc3)n2)cc1C 57427489 DVHXZXLLEFFDLI-IBGZPJMESA-N 389.499 3.665 0 40 GHAB O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1n[nH]c(=O)c2ccccc12 58144895 QACUIEKOXAWZJP-UHFFFAOYSA-N 381.775 3.589 0 40 GHAB CC(C)Cn1ccc2cc(NS(=O)(=O)c3cc(C(=O)O)cs3)ccc21 65069780 QAUGUSRGALYUQX-UHFFFAOYSA-N 378.475 3.858 0 40 GHAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 89775752 GNEJZJWDCDHWDV-IBGZPJMESA-N 396.516 3.551 0 40 GHAB CCOC(OCC)c1nnc(SCc2coc(-c3cccc(F)c3)n2)n1C 95460174 NTMQPHGTZLMHFA-UHFFFAOYSA-N 392.456 3.973 0 40 GHAB CCn1c(SCC(=O)OCc2csc(C)n2)nnc1-c1cccs1 95469625 JYUCHZOTJJTXOC-UHFFFAOYSA-N 380.520 3.627 0 40 GHAB CCCCN1Cc2cccc(NS(=O)(=O)c3cnc(Cl)c(C)c3)c2C1 95960094 FJNDUJNRILQVDA-UHFFFAOYSA-N 379.913 3.960 0 40 GHAB CC[C@](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)(OC)c1ccccc1 96123811 YLVZJZQFHADJSH-LJQANCHMSA-N 394.393 3.712 0 40 GHAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 96242017 NPLBUKCGZORLDO-QGZVFWFLSA-N 382.529 3.888 0 40 GHAB Cc1nc(-c2cc(C(=O)N3CCCC3)c3ccccn23)cn1Cc1cccnc1 96266825 FNNAHRMOYUCDLF-UHFFFAOYSA-N 385.471 3.791 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)Nc1cccc2ccccc12 100587428 TWPPQDGUHKBXPF-SJORKVTESA-N 382.847 3.686 0 40 GHAB Cc1ccc(-c2nc(NC(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)sc2C)cc1C 102207887 SFTDCKXIQFVVIG-JONQDZQNSA-N 386.473 3.552 0 40 GHAB O=C1[C@H]2C(c3ccccc3Cl)=NO[C@H]2C(=O)N1c1cccc2ccccc12 102938297 HOXQDOCVUHXVHU-PKOBYXMFSA-N 376.799 3.786 0 40 GHAB Cc1nc(-c2ccccc2)ncc1C(=O)N1CCN(c2ccc(F)cc2)CC1 133999124 DEBTZYOVAWBXER-UHFFFAOYSA-N 376.435 3.554 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(Cc1ccco1)C1CCOCC1 206672669 VEQNZHUHKVPHLE-UHFFFAOYSA-N 383.423 3.641 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)COc3cc(C)cc(C)c3C)n2)c1 218970213 WFYWGUNXUFQEBW-UHFFFAOYSA-N 395.459 3.708 0 40 GHAB Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1N(C)S(C)(=O)=O 222469137 RVAVBMDBUQJIQG-UHFFFAOYSA-N 386.395 3.662 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccccc1 224595156 IUZPRWNOMAFFTI-OAQYLSRUSA-N 398.572 3.906 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 225157333 WZMHQCREDZHIGS-JOCHJYFZSA-N 396.531 3.880 0 40 GHAB Cc1cc(Nc2ncnc3c2cnn3C2CCNCC2)ccc1Br 228921900 ORYMILHGCAEDCJ-UHFFFAOYSA-N 387.285 3.565 0 40 GHAB Cc1ccccc1C(=O)N1CC[C@]2(C1)CN(Cc1cccnc1)c1cccnc12 306129800 INJDSXKRONJQDE-DEOSSOPVSA-N 384.483 3.589 0 40 GHAB Cc1cc(O)nc(SCC(=O)Nc2ccc(Br)cc2Cl)n1 408542164 HRBCFHSNYZAXTI-UHFFFAOYSA-N 388.674 3.637 0 40 GHAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)c2ccccc2)CC1=O 408640931 BQKVBWQKXUIBJG-HOCLYGCPSA-N 385.847 3.816 0 40 GHAB CC[C@@H](C)Oc1c(Br)cc(/C=C2/NC(=O)N(CC)C2=O)cc1OC 409233653 LQZNPWHQVRKKCA-SEEODLKFSA-N 397.269 3.548 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)nc1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 520870614 AFBBXENBMAYTNM-LJQANCHMSA-N 392.503 3.563 0 40 GHAB C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@H](n2ncc3ccccc32)C1 542825037 NTBXPQBHZDJEPF-YJBOKZPZSA-N 382.895 3.641 0 40 GHAB O=C(Nc1cccc(-c2ccc(F)c(F)c2)c1)N1CCC[C@H]1Cn1ccnn1 579440356 HEPIZOWPRTUTLG-KRWDZBQOSA-N 383.402 3.920 0 40 GHAB CC(F)(F)C(=O)N[C@@H]1[C@@H]2CCCN(c3nc4c(F)cccc4o3)[C@H]2C1(C)C 585137759 RYNKGQWOUZCPOO-COLVAYQJSA-N 381.398 3.732 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCCc2ccc(OC)c(C)c2)[C@@H]1c1ccccc1 585168578 LGIIXXPMJFHJLZ-OFNKIYASSA-N 394.515 3.662 0 40 GHAB Cc1ccc(CNC(=O)N2CCC(c3ccon3)CC2)c(OC[C@@H]2CCCO2)c1 660891960 ZUUORNGLENZRRA-IBGZPJMESA-N 399.491 3.630 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ccsc1Cl 668275923 DEZHXBXHUCIFOG-UHFFFAOYSA-N 392.864 3.591 0 40 GHAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)Nc5ccccc5Cl)C[C@@H]4C3)n1)CCC2 1888904005 MVPAPRMMPDZUQZ-GJZGRUSLSA-N 397.910 3.527 0 40 GHAB Cc1cnccc1CN1CC[C@H]2NC(=O)COc3ccccc3CCCC[C@H]2C1 2037844068 NAJSEAQDKSMRGY-FCHUYYIVSA-N 393.531 3.502 0 40 GHAB CC(C)N1CC[C@@H](N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)C1=O 2086896496 CCCQBVJXZVJLBB-OAQYLSRUSA-N 378.520 3.696 0 40 GHAB Cc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c(C)c1 827501 QLQHDNKBQVRKQU-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB Cc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)cc1 953557 DDTGJTCEKLOLRD-KRWDZBQOSA-N 377.462 3.565 0 40 GHAB O=C([C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCc2ccccc2C1 976504 WIZGLEVJQLUUPG-JOCHJYFZSA-N 396.446 3.609 0 40 GHAB COc1cccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 1786172 ZCLBARXSAUHKPL-UHFFFAOYSA-N 377.227 3.780 0 40 GHAB O=C(CSc1nnc2ccc3ccccc3n12)OCCOc1ccccc1 1924200 KOBMRCHHFXDUNG-UHFFFAOYSA-N 379.441 3.597 0 40 GHAB CCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)c1ccc(OC)cc1 2466950 LIGLIWNEBYOABD-UHFFFAOYSA-N 393.468 3.893 0 40 GHAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc2c(c1)OCCO2 2619810 LTDCFWDOZHOBSR-UHFFFAOYSA-N 375.837 3.718 0 40 GHAB COc1cccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)c1 2720304 TXIAXKJMKHVHHY-UHFFFAOYSA-N 381.457 3.817 0 40 GHAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2cncc(Br)c2)cc1 3245781 ZADKPZPWELPQQB-UHFFFAOYSA-N 391.265 3.937 0 40 GHAB COc1cc(NC(=O)COc2ccc(F)cc2Br)cc(OC)c1 3285593 HJJBZCMNVLEFGT-UHFFFAOYSA-N 384.201 3.623 0 40 GHAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC(Cc3ccccc3)CC1)C(=O)C2 3296435 CMJBXHCEWSTHJG-UGKGYDQZSA-N 389.561 3.666 0 40 GHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)n(C2CC2)c1C 3346589 CFYPZNBBXANCLW-UHFFFAOYSA-N 397.504 3.708 0 40 GHAB COc1ccc(C)cc1-n1nnnc1SCc1cc(=O)oc2cc(C)ccc12 3515339 SLYMUXQOYKPLQQ-UHFFFAOYSA-N 394.456 3.686 0 40 GHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)NC12CC3CC(CC(C3)C1)C2 4469182 NAIITCMGUZRFFR-UHFFFAOYSA-N 380.488 3.729 0 40 GHAB CCOc1ccc2nc(N3CCN(C(=O)CCc4ccccc4)CC3)sc2c1 5181209 FNDXLUSZMJNNCT-UHFFFAOYSA-N 395.528 3.976 0 40 GHAB CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccncc3)ccc12 5302390 DVWSYOALURDBJL-MRXNPFEDSA-N 394.471 3.923 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1OC 5393929 MKVAJBWLEGTWBP-VQHVLOKHSA-N 386.879 3.719 0 40 GHAB COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2c(C)cc(C)cc23)cc1 5488619 YLOUKEHCTCLJLM-UHFFFAOYSA-N 393.472 3.862 0 40 GHAB COc1cc(/C=C/C(=O)OCCCOc2ccc(F)cc2)cc(OC)c1OC 5779430 OGQMMSJHNLTROK-BJMVGYQFSA-N 390.407 3.877 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C/c2cnc3ccccc3n2)CC1 6044521 IHUNPZRFTOIOIO-CMDGGOBGSA-N 392.890 3.954 0 40 GHAB O=C(Cc1nc2c(c(=O)[nH]1)[C@@H]1CCCC[C@@H]1S2)Nc1ccc(Cl)cc1 6448261 LWIPSMDAUJHFOB-OLZOCXBDSA-N 375.881 3.736 0 40 GHAB Cc1cccc(NC(=O)Cn2c(=O)n(C3CCCCC3)c(=O)c3ccccc32)c1 6670041 SYTHPPGNPICZEU-UHFFFAOYSA-N 391.471 3.616 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)NCc3ccc4c(c3)OCO4)s2)cc1 6759851 QWNRZQMKWMNCMZ-UHFFFAOYSA-N 382.441 3.786 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(Cl)c1)S2 6811770 JKTIARLOIYUJHL-SJORKVTESA-N 399.907 3.892 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 7191802 OWQNHEOEVGCJLF-IAGOWNOFSA-N 396.487 3.831 0 40 GHAB CCOc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccccc1 8254050 RULXOYSQQQFUTO-CQSZACIVSA-N 394.309 3.897 0 40 GHAB CCOc1ccc(NC(=O)CN(C)C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OCC 8313500 XTNYHNVZUVZFCG-BBWFWOEESA-N 388.508 3.707 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cc(C)ccc2C)cc1 8417626 NEVBCNYREZEHMB-UHFFFAOYSA-N 382.460 3.903 0 40 GHAB CCn1c(=O)n(CCC(=O)Nc2ccc(N3CCCCC3)cc2)c2ccccc21 8747531 MBKUXGZSDNOOKR-UHFFFAOYSA-N 392.503 3.842 0 40 GHAB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)nn1 9627004 AULZTOLRIVPBHY-UHFFFAOYSA-N 395.484 3.806 0 40 GHAB COC(=O)c1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 9987190 FVCZLRBMIJFKLG-FMIVXFBMSA-N 377.440 3.608 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 10314982 OZPFPJOICMFRNL-UHFFFAOYSA-N 394.496 3.901 0 40 GHAB Cc1oc(-c2cccs2)nc1COC(=O)c1ccc(CS(C)(=O)=O)cc1 11218381 ILJUYFJWNZRFBU-UHFFFAOYSA-N 391.470 3.613 0 40 GHAB CC[C@H](C(=O)Nc1ccc(F)cc1)N1CCC(C(=O)NCc2ccccc2)CC1 11469225 AGAWETWIFCEFMU-OAQYLSRUSA-N 397.494 3.571 0 40 GHAB CC[C@@H](NC(=O)CNC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1 11740048 KYOOUQLPHKGHID-QGZVFWFLSA-N 377.847 3.546 0 40 GHAB CCn1c(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)nc2ccccc21 12087601 OLPNPOYLKPOJJL-MRXNPFEDSA-N 376.460 3.801 0 40 GHAB CC[C@H](C(=O)Nc1ccc2c(c1)n(CC)c(=O)n2CC)n1cnc2ccccc21 12148442 DBVMKTFYPHPNML-QGZVFWFLSA-N 391.475 3.782 0 40 GHAB CC[C@H](C)C(=O)N1CCC[C@@](Cc2cc(-c3cccc(C)c3)no2)(C(=O)O)C1 12241809 FBHJUHDWWZBHLC-AOMKIAJQSA-N 384.476 3.932 0 40 GHAB CN(C)CC1CCC2(CC1)CN(C(=O)c1ccncc1)Cc1ccccc1O2 12365610 KQHLYKJGSDGJAT-UHFFFAOYSA-N 379.504 3.607 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H](NCCCn1ccnc1)c1ccccc1 12629360 LUDZACAIWYFXJA-NRFANRHFSA-N 378.476 3.642 0 40 GHAB O=C(c1ccccc1)N1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 12768589 WDAQONUNQUDOHX-UHFFFAOYSA-N 381.863 3.953 0 40 GHAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(CN2CCCCC2)cc1 14198265 FGVUTMFAEHLUHE-JOCHJYFZSA-N 392.499 3.849 0 40 GHAB COc1ccc(C)cc1-c1csc(NC(=O)[C@H]2COc3ccccc3O2)n1 15637498 RTVZIRPPCXQWRN-GOSISDBHSA-N 382.441 3.906 0 40 GHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 16322411 SFCNGTXKQKARIO-LBPRGKRZSA-N 398.937 3.855 0 40 GHAB O=C(Cn1nc(Cc2ccccc2)n(-n2cccc2)c1=S)NC1CCCCC1 16778171 OQHUNMGBXAQYHT-UHFFFAOYSA-N 395.532 3.567 0 40 GHAB Cc1nc2c(sc3ccccc32)c(=O)n1CC(=O)NCc1ccccc1Cl 16841933 TVXGOCGWHRUMAZ-UHFFFAOYSA-N 397.887 3.889 0 40 GHAB O=C1NCCN(C(=O)c2ccccc2)C[C@@H]1Cc1ccc(-c2ccccc2)cc1 19374198 IFCHUCRKYRYORM-QHCPKHFHSA-N 384.479 3.785 0 40 GHAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN(Cc2cccc(OC(C)C)c2)C1 19450850 LEMCZMFBGVUWNP-XMMPIXPASA-N 394.515 3.803 0 40 GHAB CC(C)c1nc(N2CCC(NC(=O)C(C)(C)C)CC2)ncc1-c1ccncc1 19451554 JNQZACIAUCDXGZ-UHFFFAOYSA-N 381.524 3.793 0 40 GHAB COc1ccccc1C(=O)N1CCC(c2nnc(-c3scnc3C)o2)CC1 19563167 ITOHHSNGTSAOLT-UHFFFAOYSA-N 384.461 3.530 0 40 GHAB COc1ccc2oc(C(=O)N3CCC(c4cc(=O)cc(C)[nH]4)CC3)c(C)c2c1 19570385 DQGYBHIQPCWMBT-UHFFFAOYSA-N 380.444 3.766 0 40 GHAB COC(=O)c1c(Cl)c(C2CC2)nc2c3c(C)cc(C(F)(F)F)nc3nn12 20605824 NZXLZIGIGYLAFT-UHFFFAOYSA-N 384.745 3.922 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCc1ccc(F)cc1Cl)(C3)C2 20978525 YGLPQPAKIPESAQ-LWYUSKRHSA-N 379.859 3.997 0 40 GHAB Fc1ccccc1COc1ccc(Cl)cc1CNCCCN1CCOCC1 22074120 HALUDIQLTGMCLY-UHFFFAOYSA-N 392.902 3.870 0 40 GHAB O=S(=O)(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cccs1 23054829 PAGHCPZBSQIVCS-UHFFFAOYSA-N 392.481 3.673 0 40 GHAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 23633529 SSYBLIKKSQBNIM-GHTZIAJQSA-N 386.511 3.901 0 40 GHAB COc1ccccc1C(=O)NCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 24002897 RWLTUBLRHQJMEA-UHFFFAOYSA-N 399.447 3.716 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 24986961 TZJKUYJYSBEYNV-KGLIPLIRSA-N 398.454 3.780 0 40 GHAB COc1cc(CNC[C@@H](c2cccc(F)c2)N(C)C)cc(OC)c1OC(F)F 25360405 PEGSKZDAQQMNJK-INIZCTEOSA-N 398.425 3.837 0 40 GHAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)CSCc1ccc(C)cc1 29232260 HETXTAMPMBSQEL-UHFFFAOYSA-N 386.517 3.724 0 40 GHAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 30863495 WOPNOSVFNAOMKZ-ZDUSSCGKSA-N 380.897 3.819 0 40 GHAB CC(C)c1c(C(=O)NCCc2cn3ccccc3n2)cnn1Cc1ccccc1 32057866 ABDQBNMHFSGKHJ-UHFFFAOYSA-N 387.487 3.675 0 40 GHAB Cc1cc(C)cc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3cc(F)ccc32)c1 32087699 ZIFGJTDAMMYCPV-NRFANRHFSA-N 376.391 3.858 0 40 GHAB CNC(=O)c1ccc(CN(C(=O)c2ccccc2Br)C2CC2)cc1 32760947 LGOIQDGUANERIV-UHFFFAOYSA-N 387.277 3.614 0 40 GHAB C[C@@H](NC(=O)CCn1ncc(=O)c2ccccc21)C12CC3CC(CC(C3)C1)C2 32820121 YPDHNRQEGZXWEI-LRYXAPPNSA-N 379.504 3.508 0 40 GHAB O=C(COC(c1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCO2 32892079 CNGLJGFNAOETCK-UHFFFAOYSA-N 375.424 3.838 0 40 GHAB O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)C1CCCCC1 35598035 KXFJBBKBHRCTHT-UHFFFAOYSA-N 378.520 3.923 0 40 GHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 36636402 HUYDVVQATJBZBN-UHFFFAOYSA-N 399.343 3.808 0 40 GHAB C[C@H](Cc1ccccc1Cl)NC(=O)Cn1c(S)nnc1-c1cccs1 40112110 BGTZEGXQLFJJHR-LLVKDONJSA-N 392.937 3.696 0 40 GHAB CCOc1cccc(C(=O)Nc2nn3c(-c4ccc(C)c(F)c4)nnc3s2)c1 41076589 GQWOHIQHONELFT-UHFFFAOYSA-N 397.435 3.951 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cn2)cc1Br 41095703 SDZFDQFFQGLLGA-UHFFFAOYSA-N 375.675 3.915 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccccc3Cl)n2)cc1 41254475 BGJFBQNCOZDBOX-UHFFFAOYSA-N 381.863 3.579 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)N[C@@H](C)c3ccc(F)cc3)n2)cc1 41254490 JNFRCYCQBNDOPC-INIZCTEOSA-N 379.435 3.625 0 40 GHAB CCc1noc(-c2ccnc(-n3ncc(C(=O)NC4CCCCCC4)c3C)c2)n1 49420800 HJCDNSBNHSRLDU-UHFFFAOYSA-N 394.479 3.641 0 40 GHAB O=C(O)[C@@H]1Cc2ccccc2[C@H](C(=O)OCC2c3ccccc3-c3ccccc32)N1 55161889 PAAWUAPRJOJQQN-XZOQPEGZSA-N 399.446 3.682 0 40 GHAB CC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccccc2Br)cc1 57363016 RWCMPGCAMPUUHU-GFCCVEGCSA-N 375.266 3.941 0 40 GHAB CCc1cc(=O)n(CC(=O)N(CC)c2cccc(C)c2)c(-c2ccc(F)cc2)n1 57508528 IXOSYYVSXTUTCM-UHFFFAOYSA-N 393.462 3.973 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2c(C)cccc2Cl)c(-c2ccc(F)cc2)n1 57522296 CYSYDDZEOBCXGX-UHFFFAOYSA-N 385.826 3.958 0 40 GHAB C[C@@H](SCc1ccccc1)C(=O)N1CCC[C@H](C(=O)Nc2nccs2)C1 57995150 MFACXAGPFSGKLY-ZBFHGGJFSA-N 389.546 3.642 0 40 GHAB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)[C@]1(C)CC1(Cl)Cl 58364818 XVDCISZTMUGJJE-KRWDZBQOSA-N 396.274 3.679 0 40 GHAB Cc1ccc(F)c(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)c1 67298852 VHVDOZZXQDGSSB-NOAXNCOGSA-N 396.418 3.727 0 40 GHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)NCCO[C@H]3CCCC[C@@H]3C)c2)n1 69518403 VDVVMBUDYURKQW-KXBFYZLASA-N 398.507 3.716 0 40 GHAB COc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)CCc2ccccc2)cc1OC 72329288 VIMZJULRZAQKGO-HNNXBMFYSA-N 379.460 3.845 0 40 GHAB COc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3cscn3)C2)cc1 72362628 MTBYZUVFFXNFSE-AWEZNQCLSA-N 396.472 3.754 0 40 GHAB CC(C)n1cc(CC(=O)N2CCN(CCc3ccccn3)CC2)c2ccccc21 79473449 JCHBGIVGOUDRAT-UHFFFAOYSA-N 390.531 3.547 0 40 GHAB COc1cccc2sc(OC3CN(C(=O)c4nc5ccccc5s4)C3)nc12 90594255 UEXDGEOAHPPCIX-UHFFFAOYSA-N 397.481 3.818 0 40 GHAB COc1ccc(CC(=O)N2CCC(CSc3ccccn3)CC2)cc1OC 90608037 XSONGUKUAXGQNN-UHFFFAOYSA-N 386.517 3.672 0 40 GHAB O=C(c1ccc(-c2ccccc2)cc1)N1CCCSC[C@H]1CN1CCOCC1 90609070 JURJNIGBVPREDO-JOCHJYFZSA-N 396.556 3.634 0 40 GHAB CC(C)N(C)Cc1ccc(CNC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 95361122 MNBJKWUIPBTUKW-UHFFFAOYSA-N 395.425 3.793 0 40 GHAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)N[C@@H]1CCO[C@]2(CCOC2)C1 95458146 GAGQQKALYUSGEG-OXQOHEQNSA-N 393.915 3.790 0 40 GHAB C[C@@H](Cn1cncn1)Nc1nc(CN(C)C)nc2scc(-c3ccccc3)c12 95957750 OVAUTYWAYGAMML-AWEZNQCLSA-N 393.520 3.512 0 40 GHAB COc1ccccc1[C@H]1CCCN1S(=O)(=O)Cc1cccc2cccnc12 95960183 DMCVLHHUNAXPKH-LJQANCHMSA-N 382.485 3.910 0 40 GHAB CC(C)Nc1nc(-c2cccc(F)c2)nc2c1CN(C(=O)CC(F)(F)F)CC2 96254331 FUWPQBRCGVZJJP-UHFFFAOYSA-N 396.388 3.940 0 40 GHAB COc1cccc(CO[C@H](C)C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1 96998281 HYAAJODMHKQNLE-MRXNPFEDSA-N 391.471 3.913 0 40 GHAB C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1Br 97592189 ANJUOHQTDUKVNO-AWEZNQCLSA-N 391.284 3.935 0 40 GHAB O=C(Cc1ccccc1F)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 100155963 QRLZIZSETBQYSF-IYBDPMFKSA-N 394.450 3.903 0 40 GHAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(OC)cc1OC 101353085 LCHAUNGKXAMLBI-VFNWGFHPSA-N 384.432 3.872 0 40 GHAB COc1ccc(CCCNC(=O)COc2ccc(Br)cc2)cc1 108441183 YVAZSSAJMUKAQD-UHFFFAOYSA-N 378.266 3.586 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O 113967950 UWUBZXXMKODHQA-QAPCUYQASA-N 392.496 3.556 0 40 GHAB O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccncc1Br 158536717 JXLDJEZPIQFCPI-UHFFFAOYSA-N 377.629 3.936 0 40 GHAB Cc1ccc(CN2CCC(C(=O)NCc3nc(-c4cccs4)no3)CC2)cc1 219409004 OJXWHYQQIZAERB-UHFFFAOYSA-N 396.516 3.635 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1Cl 223046187 VKJJNKBRHNCSEK-GOSISDBHSA-N 388.895 3.581 0 40 GHAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 223634936 OONHHHHROXTKDR-PMACEKPBSA-N 384.549 3.743 0 40 GHAB Cc1cccc(CN(C(=O)COc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 223791689 WNDRKWQCEOEWEW-IBGZPJMESA-N 394.515 3.850 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 223832467 GFFLYEDDBZLAIJ-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB CN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2CCCCS2(=O)=O)c1 224513256 HXPLVHGJQBPWJA-UHFFFAOYSA-N 392.908 3.542 0 40 GHAB COc1cc(C(=O)N2CCS/C2=C/c2cccs2)cc(OC)c1OC 225233586 SNRRLMYWJZNPLM-LFIBNONCSA-N 377.487 3.962 0 40 GHAB COc1nc(SC)ncc1/C=C1/SCCN1C(=O)c1cccc(F)c1 225240378 WGJPRHVUKHXXOM-NTEUORMPSA-N 377.466 3.534 0 40 GHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCOC2CCCC2)c1 225544062 JOTDZKRTHJOPFF-PGMHBOJBSA-N 396.487 3.824 0 40 GHAB COc1cccc(CNc2ncncc2-c2nc(-c3cccs3)no2)c1OC 225579085 GHWRWOAKWIXQOY-UHFFFAOYSA-N 395.444 3.884 0 40 GHAB CCOc1ccc(CNC(=O)C2(c3ccccc3)CCOCC2)cc1OCC 225615651 GDBLGAYVXMWSSV-UHFFFAOYSA-N 383.488 3.849 0 40 GHAB CCN(CC)C(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 225845166 DWKVJLNQNKQYRH-UHFFFAOYSA-N 392.908 3.573 0 40 GHAB COc1ccc(CNS(=O)(=O)c2c(C)cc(C)c(Br)c2C)cc1 231425111 LASJVPIFQXGVSQ-UHFFFAOYSA-N 398.322 3.861 0 40 GHAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)NC12CC3CC(CC(C3)C1)C2 240122560 WCWUAPRIMPWQJE-WRUMOOJNSA-N 389.565 3.638 0 40 GHAB O=C(Cc1c(F)cccc1Cl)NC[C@@H](c1ccco1)N1CCSCC1 244969101 GYIUSSIMSVGNOP-INIZCTEOSA-N 382.888 3.521 0 40 GHAB C[C@H]1CCCCN1S(=O)(=O)N1CCCC[C@H]1c1nc2ccccc2s1 245225522 XIYAXQJBRLWNKT-HOCLYGCPSA-N 379.551 3.943 0 40 GHAB CCOc1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1 257342747 ZPZSEXJIEPZFSB-YDHSSHFGSA-N 381.520 3.645 0 40 GHAB C[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2cccc3nc(O)[nH]c23)cc1 561145061 WJZOODTULVNAAH-OAHLLOKOSA-N 378.476 3.573 0 40 GHAB CSCC[C@@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)n1cccc1 575443073 RLFDVYSNFSUHJF-CLNPQZTCSA-N 383.561 3.640 0 40 GHAB Cc1nccc(O[C@@H]2CCCN(C(=O)c3csc(-c4ccccc4)n3)C2)n1 575609869 RCFKQDKQSMUXQR-MRXNPFEDSA-N 380.473 3.592 0 40 GHAB CC(C)CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CCC1)C2 585106608 CSQPPLVJKYKQKT-QHCPKHFHSA-N 378.520 3.966 0 40 GHAB O=C(c1cc(Br)ccc1Cl)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 820262108 RZYLVKKJDHJPLY-RYUDHWBXSA-N 395.688 3.702 0 40 GHAB Cc1csc(C(=O)N2CCC3(CC2)Cc2nccn2-c2ccccc2O3)c1 1565553657 HBRMWBWKKWCTKT-UHFFFAOYSA-N 379.485 3.852 0 40 GHAB COc1ccccc1C(=O)N1CC[C@@H](COc2cccc(C(F)(F)F)n2)C1 1889179256 ZZTIDRRCRFRDEH-CYBMUJFWSA-N 380.366 3.650 0 40 GHAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 738420 XZEKNRGLYBQFOV-UHFFFAOYSA-N 385.895 3.897 0 40 GHAB Cc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 860601 OJTOGFYHSLSPFN-UHFFFAOYSA-N 386.517 3.511 0 40 GHAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2Cl)cc1 872589 MVTPWYJKPWXOJD-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCCC3)c(=O)[nH]c2c1 908882 CZNSOOYSRXAYMH-FQEVSTJZSA-N 392.507 3.513 0 40 GHAB COc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1 925124 BHQKPSYMMKUKOK-UHFFFAOYSA-N 384.461 3.730 0 40 GHAB O=C1Nc2ccccc2/C1=C\c1cnc(N2CCN(c3ccccc3)CC2)s1 1393752 NNXSWAWCXOVXGD-XMHGGMMESA-N 388.496 3.962 0 40 GHAB CC[C@@H](C)N1CC(=O)N2[C@@H](c3ccccc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 2115181 NAJIXICRHYUWHO-OFSQETHSSA-N 387.483 3.651 0 40 GHAB biogenic COCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@H](c1ccccc1)N2 2417318 GQPDLYCUZZTYMN-SJORKVTESA-N 397.866 3.663 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)Nc2ccccc2Cl)c1 3224645 PAOUGSZLXOYQSJ-JXMROGBWSA-N 375.808 3.552 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)c3cc(C)c(C)cc3C)CC2=O)cc1 3370861 XDFPSNZHRKMVDA-LJQANCHMSA-N 393.483 3.953 0 40 GHAB Cc1cccc(-n2nnnc2SCC(=O)c2ccc(Br)s2)c1 3412747 FULXDYSGHAFFPP-UHFFFAOYSA-N 395.307 3.770 0 40 GHAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(C)nc3ccccc23)c(OC)c1 3522427 CNFWSGWTODVRJQ-CQSZACIVSA-N 379.412 3.989 0 40 GHAB CCOC(=O)[C@@](NC(=O)Nc1cc(C)ccn1)(c1ccc(F)cc1)C(F)(F)F 4047842 GRYIXJLWVPRTNL-KRWDZBQOSA-N 399.344 3.672 0 40 GHAB Cc1ccc2nc(NC(=O)N[C@H]3CC(=O)N(c4ccc(F)cc4)C3)sc2c1 4374211 CBODUNQESDZGFP-ZDUSSCGKSA-N 384.436 3.671 0 40 GHAB Cc1cccc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1C 4543764 FQRNVBLLOJKHNW-UHFFFAOYSA-N 382.485 3.861 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccccc1O 4556206 VBSRHPQCGNYJJR-QHCPKHFHSA-N 391.398 3.539 0 40 GHAB CCOC(=O)c1c(NC(=O)CSC(=S)OCC)sc2c1CCCC2 4677361 WWHUGXDGPAHRIU-UHFFFAOYSA-N 387.548 3.797 0 40 GHAB COc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)c(OC)c1 4688540 NXXLBAKGEJVECT-UHFFFAOYSA-N 395.278 3.593 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)NC3CC3)n2-c2ccc(C)cc2)cc1 4837989 SCDUGRNCLKLTKR-UHFFFAOYSA-N 394.500 3.622 0 40 GHAB CC(C)(C)n1nnnc1[C@@H](c1ccncc1)N1CCC(Cc2ccccc2)CC1 4925494 LLIAZXYCYNBBHB-OAQYLSRUSA-N 390.535 3.867 0 40 GHAB O[C@]1(C(F)(F)F)[C@@H]2COc3ccccc3C2=NN1c1nc2ccccc2s1 5275048 SJANWJHLGDYGHJ-DIFFPNOSSA-N 391.374 3.780 0 40 GHAB COc1ccc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c(OC)c1 5317106 FWZZMEKSMVRXQH-UHFFFAOYSA-N 393.226 3.603 0 40 GHAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCc3ccccn3)ccc12 5322169 PSGMGZUDYSJFQK-UHFFFAOYSA-N 380.444 3.534 0 40 GHAB Cc1cccn2cc(-c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)nc12 5461067 LCRUWXINYHDESZ-HZPDHXFCSA-N 383.517 3.976 0 40 GHAB COc1ccc2c3c(c(=O)oc2c1O[C@H](C(=O)O)c1ccccc1)CCCC3 5547472 AAVOLAGLUBQSRJ-SFHVURJKSA-N 380.396 3.885 0 40 GHAB Cc1ccc2nc(COc3ccc(C(=O)c4ccc(F)cc4)cc3)cc(=O)n2c1 6083726 OXKIYSJVZUHGCL-UHFFFAOYSA-N 388.398 3.952 0 40 GHAB CCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 6274453 MHRPGZKXFTUHIB-UHFFFAOYSA-N 387.288 3.643 0 40 GHAB CC[C@@H](NC(=O)CCS(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 6555368 JVCFGLILCSNLLI-MYZSEDEFSA-N 389.561 3.962 0 40 GHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 6709332 MAYXIIYMUOCGDB-UHFFFAOYSA-N 375.881 3.744 0 40 GHAB CC(C)C[C@@H](Nc1ncnc2sc3c(c12)CCC3)C(=O)NCc1cccnc1 6719333 JSHATKGHJWDNDS-MRXNPFEDSA-N 395.532 3.718 0 40 GHAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 6740914 YUDPEVFXDKYJFK-ZDUSSCGKSA-N 375.856 3.680 0 40 GHAB COCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1cccc(OC)c1 6743350 UMACSXPCBYHZLP-FQEVSTJZSA-N 393.439 3.610 0 40 GHAB CCC[C@@H](C)NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 6945614 NJEZESOHMIWIRV-QGZVFWFLSA-N 388.533 3.880 0 40 GHAB CCCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 7060947 UBZBCFUPXUNWKR-UHFFFAOYSA-N 376.869 3.674 0 40 GHAB Cc1ccc2nc(COC(=O)[C@H](C)Sc3ccc(Cl)cc3)cc(=O)n2c1 7466054 JWBYRJLVHPMUAU-ZDUSSCGKSA-N 388.876 3.880 0 40 GHAB COc1cc(CNC2CCCC2)ccc1OCc1nnnn1-c1ccc(C)cc1 7540333 XGIDSXJSUHKJKN-UHFFFAOYSA-N 393.491 3.591 0 40 GHAB Cc1cccc(-n2ccnc(SCC(=O)Nc3ccc(C)c(C)c3)c2=O)c1 7615763 PNWNINKZKURCKO-UHFFFAOYSA-N 379.485 3.889 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 7928143 GACUJCCXWBFRGQ-GOSISDBHSA-N 394.471 3.944 0 40 GHAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccccc1 8556907 GRVVWQYJBKGBSM-HXUWFJFHSA-N 380.488 3.707 0 40 GHAB C[C@@H](Sc1nnc(Cc2ccc(Cl)cc2)n1C)C(=O)Nc1nccs1 9304565 LWCSRZUWTMFPHI-SNVBAGLBSA-N 393.925 3.635 0 40 GHAB CCOc1ccccc1Oc1coc2cc(OCC(=O)NC3CC3)ccc2c1=O 9576856 WBLPRCAESVHIRR-UHFFFAOYSA-N 395.411 3.641 0 40 GHAB CCNc1nc(SCc2cc(=O)n3ccc(C)cc3n2)nc2ccccc12 11109555 IHUNWZLMAOLDJI-UHFFFAOYSA-N 377.473 3.670 0 40 GHAB COc1ccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1Cl 11465470 YJRMUKGLCYILTD-UHFFFAOYSA-N 383.835 3.973 0 40 GHAB Cc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc2c(c1)CCCN2C 11613065 ZPZVVYJWGRHOCF-UHFFFAOYSA-N 378.925 3.552 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 11740201 DIYWEUFQEUXYJB-IZZDOVSWSA-N 380.444 3.791 0 40 GHAB CC[C@@H](C(=O)Nc1cc(C2CC2)nn1-c1nc(C)c(C)c(=O)[nH]1)c1ccccc1 12127219 IIFDLURMQKHWCI-QGZVFWFLSA-N 391.475 3.582 0 40 GHAB CCc1nccn1Cc1cc(CN2CC[C@@](O)(c3ccccc3)C2)ccc1OC 12147705 UXOMZKMNOWDCEQ-DEOSSOPVSA-N 391.515 3.596 0 40 GHAB Cc1[nH]c2c(C(=O)N3CCC(=O)N(Cc4ccccc4F)CC3)cccc2c1C 12217161 LQUDHLDCCBUTQH-UHFFFAOYSA-N 393.462 3.799 0 40 GHAB COc1ccc(-n2nnc(C(=O)OCc3ccccc3F)c2C)cc1Cl 12416111 MCTIRUOFBHRMHJ-UHFFFAOYSA-N 375.787 3.734 0 40 GHAB CCN(CCCNC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C)c1ccccc1 12526581 LHBWTIQWOCCGJV-NRFANRHFSA-N 396.535 3.866 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1Cl 12737151 WOLBSUSRWHETNU-UHFFFAOYSA-N 379.869 3.509 0 40 GHAB CC(=O)Nc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1F 12737332 HJTPYINFFBLBHJ-UHFFFAOYSA-N 377.224 3.892 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)/C=C/c2cnn(-c3ccccc3)c2)c(C)c1 12740898 HXFZMBAEJLCMIA-MDZDMXLPSA-N 388.471 3.566 0 40 GHAB O=C(Nc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1)c1ccccc1 12814480 RNDPCIIMAAFKJN-QHCPKHFHSA-N 399.494 3.943 0 40 GHAB COC(=O)c1cc(NC(=O)Cc2csc(-c3ccco3)n2)c(F)cc1F 12822076 QLWHPKFGXNEVOG-UHFFFAOYSA-N 378.356 3.649 0 40 GHAB C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)c1ccccc1Cl 12901134 OSHSSXWSYXQJQD-STQMWFEESA-N 392.908 3.542 0 40 GHAB Cc1cc(-c2csc(NC3CCCC3)n2)c(C)n1[C@@H]1CCS(=O)(=O)C1 12910086 GAMJBDWHWUTNRO-OAHLLOKOSA-N 379.551 3.943 0 40 GHAB O=C(O)Cc1csc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n1 12920785 LDJAMDNUNRPDTF-INIZCTEOSA-N 376.503 3.616 0 40 GHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1 12994754 BMCZNIDCPWABDB-UHFFFAOYSA-N 379.287 3.756 0 40 GHAB Cc1ccc2nc(C)cc(C(=O)OCC(=O)NC[C@H](C)c3ccccc3)c2c1 13010889 CFKDKHDRCFELDX-INIZCTEOSA-N 376.456 3.928 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)/C=C/c1cccc(OC)c1 13038998 GCCXTSDBAAKSKJ-JXMROGBWSA-N 397.862 3.647 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 13257551 GRLUEBYZQYVJHQ-UHFFFAOYSA-N 392.430 3.941 0 40 GHAB CCCC[C@]1(C)NC(=O)N(Cc2nc3ccccc3c(C)c2C(=O)OCC)C1=O 14094276 PBFLREVYKDWKMC-QFIPXVFZSA-N 397.475 3.721 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 15632582 BISPOYGQXRWRFD-AWEZNQCLSA-N 386.835 3.508 0 40 GHAB O=C(NCc1ccc2c(c1)OCCO2)c1cc(-c2ccccn2)nc2ccccc12 17859734 XCAQPIBEHJOXTR-UHFFFAOYSA-N 397.434 3.998 0 40 GHAB COc1ccc(-c2csc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)n2)cc1F 18706938 INBYCOIWAQWULC-QGZVFWFLSA-N 398.415 3.678 0 40 GHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@H]1CC12CCC2 19017444 HKOWYDDJZHDPGP-CBPXPLCBSA-N 380.532 3.962 0 40 GHAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)c3sc(N)nc3C)C2)n1 19117750 KPALXRGROHDCIK-ZDUSSCGKSA-N 399.545 3.880 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)on1 19119821 ABWVEPRLPWUTKG-IXPVHAAZSA-N 397.401 3.507 0 40 GHAB O=C(CN1Cc2ccccc2C1)N1CCCC[C@H]2NCC[C@H](c3ccccc3)[C@H]21 19373907 GMVJXOORWHMTFS-VDKIKQQVSA-N 389.543 3.529 0 40 GHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 20143158 FDRZQJXOJAUBFW-UHFFFAOYSA-N 395.667 3.995 0 40 GHAB CCCCc1nnc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)s1 22742712 WBHUGHLGKXBNEI-UHFFFAOYSA-N 378.885 3.913 0 40 GHAB Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccco3)nc12 22997831 IYSQUEGDUXJYGI-UHFFFAOYSA-N 399.516 3.875 0 40 GHAB CCCCSc1nnc2n(Cc3ccccc3OC)c(=O)c3ccccc3n12 23042607 JRLLYJPMWWPUKV-UHFFFAOYSA-N 394.500 3.993 0 40 GHAB COc1ccccc1-c1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)o1 23969911 CSJCZGMJYZWJOG-NSHDSACASA-N 380.429 3.835 0 40 GHAB CC(=O)N1CCc2cc(S(=O)(=O)NC3CCC(c4ccccc4)CC3)ccc21 26837235 SHQNDGZTKBSESI-UHFFFAOYSA-N 398.528 3.600 0 40 GHAB O=C(COc1ccc(F)cc1)NC[C@H](c1cccs1)N1CCCCCC1 27662553 GJSRQVVFGKMNLA-GOSISDBHSA-N 376.497 4.000 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc2[nH]cnc2c1 29237480 ICSPLCQBMGSETR-UHFFFAOYSA-N 378.413 3.710 0 40 GHAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc(Br)ccc1F 29288665 IWJPQUNCJUHIKC-UHFFFAOYSA-N 391.240 3.963 0 40 GHAB CC[C@@H](NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccc(C)cc1 30867335 QHOGIHKJXZRTDZ-LJQANCHMSA-N 388.533 3.645 0 40 GHAB O=C1OCCN1c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 31720098 WAHILAJBDNXUDR-UHFFFAOYSA-N 387.244 3.751 0 40 GHAB CC(C)(C)C(=O)Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1 33068245 AQLYQACZMBRWQA-UHFFFAOYSA-N 385.851 3.912 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 33088783 NRSJDRCZFRPVPP-UHFFFAOYSA-N 390.439 3.767 0 40 GHAB COCCN(Cc1ccccc1)C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 37117630 POWKPWXYUVMRQF-JOCHJYFZSA-N 378.472 3.626 0 40 GHAB COc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4F)c3N)n2)cc1 38486924 KXPMOFXOSGCCDO-UHFFFAOYSA-N 385.399 3.927 0 40 GHAB COc1ccc(-c2csc3c(=O)n(CC(=O)Nc4ccccc4)cnc23)cc1 38487088 LBNFWGMMZDFELA-UHFFFAOYSA-N 391.452 3.772 0 40 GHAB COc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 39763578 IIBIJIBUDMDLCI-UHFFFAOYSA-N 380.532 3.965 0 40 GHAB O=C(/C=C/c1ccccc1OC(F)F)NCc1ccccc1Cn1ccnc1 40033962 AHMWDVULTMCVIN-MDZDMXLPSA-N 383.398 3.862 0 40 GHAB C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC2(CC1)OCCO2 40071637 AZUFZEXAECYXBJ-GFCCVEGCSA-N 383.370 3.655 0 40 GHAB CCCN1CCC(N(C)C(=O)c2sc(NC(=O)c3ccco3)cc2C)CC1 40157781 ZKFXGLRUMAUCFQ-UHFFFAOYSA-N 389.521 3.848 0 40 GHAB C[C@H]1Oc2ccc(NC(=O)c3cc(-c4ccc(F)c(F)c4)on3)cc2N(C)C1=O 41155904 GISMHTRSOGGODX-SNVBAGLBSA-N 399.353 3.616 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cn2c(=O)oc3ccc(Cl)cc32)C1 44849201 LVRGOGDQDRECNG-CQSZACIVSA-N 385.851 3.556 0 40 GHAB O=C(Nc1ccccc1N1CCCCCC1)[C@@H]1CCCN(c2cnccn2)C1 45715126 ZJMKTAPUULQGSL-GOSISDBHSA-N 379.508 3.712 0 40 GHAB Cc1nn(CN2CCN(C)C[C@@H]2c2ccccc2)c(=S)n1Cc1ccccc1 47404696 VBTJRHDCIVYWIK-OAQYLSRUSA-N 393.560 3.717 0 40 GHAB CC(C)Sc1ncccc1C(=O)NCCc1cc(F)cc2c1OCOC2 52901939 YBNTZHCDBGTAOP-UHFFFAOYSA-N 376.453 3.560 0 40 GHAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1 55578656 FELDJVAPUQYRCB-AZUAARDMSA-N 377.488 3.687 0 40 GHAB O=C(Nc1ccccc1OC[C@H]1CCCCO1)N1CCC(N2CCCC2)CC1 56785097 HCDNISRCVRHACJ-LJQANCHMSA-N 387.524 3.727 0 40 GHAB O=C(NCc1cc(Br)cs1)N1CCN(Cc2ccccc2)CC1 59322657 UGLUMQVRVVRDAI-UHFFFAOYSA-N 394.338 3.538 0 40 GHAB C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@@H]1COc2ccccc2O1 59967440 OJQRTCMFNDTXJN-ACJLOTCBSA-N 390.277 3.726 0 40 GHAB CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)CC1 64875427 DOKBVRWYMOXVPS-UHFFFAOYSA-N 399.539 3.822 0 40 GHAB Cc1cc(C)c2c(C)c(C(=O)NCc3ccccc3N3CCOCC3)sc2n1 65881919 ZLHOKPWJVIRBFX-UHFFFAOYSA-N 395.528 3.988 0 40 GHAB CCOc1ccc(-c2noc(Cc3nnc(-c4ccc(OC)cc4)o3)n2)cc1 67246242 UIMJGBXNQHTVMS-UHFFFAOYSA-N 378.388 3.785 0 40 GHAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3ccc(Cl)cc3)c2C)c1 67322420 RWQOSZLHYFCYNC-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB C[C@@H](C(=O)N1CCCCCC1)[S@](=O)Cc1cc(Cl)c2c(c1)OCCCO2 69820365 NYFCWNHFMJFFBI-RXBISOJRSA-N 399.940 3.541 0 40 GHAB COC(=O)c1cc(NC(=S)Nc2ccc(C)cc2F)cc(C(=O)OC)c1 71760557 AZMZVMUYRWMUEQ-UHFFFAOYSA-N 376.409 3.516 0 40 GHAB O=c1c(Cl)c(NC[C@H]2Cc3ccccc3O2)cnn1-c1ccc(F)cc1F 84581769 FQBDWKQIWLSSBX-CYBMUJFWSA-N 389.789 3.580 0 40 GHAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2F)C1 84689491 PWKBUFRSDKQZQC-BFYDXBDKSA-N 378.463 3.792 0 40 GHAB CSc1cc2c(cc1NC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)OCCO2 95414238 YCOCHQFKHRLJML-INIZCTEOSA-N 396.509 3.668 0 40 GHAB CO[C@@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1C 96105111 TZGHFQLATUPKAT-KRWDZBQOSA-N 387.423 3.821 0 40 GHAB CCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cc(F)cc(F)c21 100909319 SFDUVFCJDCSLGB-QOCHGBHMSA-N 386.379 3.848 0 40 GHAB COc1ccc2nc(NC(=O)C34C[C@H]5C[C@@H](CC(NC(C)=O)(C5)C3)C4)sc2c1 101000336 DPMPSJGZRVBRDR-RKOMNEFPSA-N 399.516 3.719 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COC[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106219798 DBSDEURTFPMJNX-IWFBPKFRSA-N 392.971 3.584 0 40 GHAB COc1cccc(-c2noc(CNC(=O)CCSCc3ccccc3)n2)c1 219000254 QUDCLJNGCHEAJY-UHFFFAOYSA-N 383.473 3.685 0 40 GHAB CCOc1cccc(NC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c1 220518070 OCQHPPWZMFTVOC-LJQANCHMSA-N 390.505 3.577 0 40 GHAB CN(c1ccc(C(=O)NCC2=CCCCC2)cc1)S(=O)(=O)c1cccs1 224236257 LLPUENBAPJCRIW-UHFFFAOYSA-N 390.530 3.803 0 40 GHAB CN(c1cccc(C(=O)NC2CCCCCC2)c1)S(=O)(=O)c1ccccc1 224253259 SHPKIOWWQPWQEL-UHFFFAOYSA-N 386.517 3.964 0 40 GHAB CCCOCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OC 224417605 PSTJAIJQENFBHT-UHFFFAOYSA-N 386.467 3.723 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C 224547545 VZHYMVIGIIAHAG-JOCHJYFZSA-N 396.531 3.798 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)cc(C)c1Cl 225256821 DPOJUTGVEHXJSH-HOCLYGCPSA-N 375.852 3.680 0 40 GHAB COc1cccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3OC)n2)c1 225824344 WNRLUXGZZQOGEX-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1F 252491777 LSXSYZNREUXXNK-UHFFFAOYSA-N 385.770 3.824 0 40 GHAB C[C@H]1CCCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NC3CC3)n2)C1 260708103 DDXAITUHCWKIDD-GJZGRUSLSA-N 388.585 3.541 0 40 GHAB COc1ccc(CN2C[C@@H]3Cc4ncc(-c5ccc(OC)cc5)n4C[C@H]3C2)cc1 306134059 NCSUQYUOSZPOIV-VQTJNVASSA-N 389.499 3.872 0 40 GHAB CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1 408623880 SMYDGLXZIGHIOL-UHFFFAOYSA-N 386.473 3.588 0 40 GHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccco2)CC1 408629276 ULLFXDHLQXAXIO-SOFGYWHQSA-N 387.867 3.644 0 40 GHAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCC 408808370 FYJNZJSYKZUEAR-WQLSENKSSA-N 386.267 3.913 0 40 GHAB O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3F)cc2)o1 409218992 ZJCPFWWVMDVYLL-UHFFFAOYSA-N 385.322 3.833 0 40 GHAB CC(C)(C)c1ccc(C2(NC(=O)c3cn(C[C@@H]4CCOC4)nn3)CCCC2)cc1 528895711 ZXBANJBQVZXDHN-KRWDZBQOSA-N 396.535 3.811 0 40 GHAB COc1ccc([C@H](CN(C)C)NCc2cc(Cl)c3c(c2)OCCO3)cc1 585081184 DXAROIVVGIIHCG-SFHVURJKSA-N 376.884 3.512 0 40 GHAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc(Cl)cc1 585111223 JTVTXZSQFWFWRJ-LJQANCHMSA-N 381.863 3.629 0 40 GHAB Cc1cc(N2CCC[C@@H]3[C@@H](NC(=O)C(C)(F)F)C(C)(C)[C@@H]32)nc(C(C)C)n1 585137737 RJVSSCDNWLERNJ-FVQBIDKESA-N 380.483 3.673 0 40 GHAB CO[C@@H](C(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(F)cc1 624532618 WJPHCGNJOPOMLM-GOSISDBHSA-N 376.815 3.932 0 40 GHAB O=C1CCCN1C[C@H](N[C@H]1COC2(CCC2)C1)c1cccc(C(F)(F)F)c1 657838346 RTARNBFDVHHKGU-SJORKVTESA-N 382.426 3.670 0 40 GHAB CC(C)=CCC[C@]1(C)Oc2cc3c(c4c2[C@H]2[C@@H]1CC[C@@](C)(O)[C@H]2O4)CNC3=O 1772591737 NBNPXTAXSQRYAH-IQFRLESDSA-N 383.488 3.833 0 40 GHAB Cn1nc(-c2cccs2)cc1CNS(=O)(=O)c1ccc2c(c1)CCCC2 1775966786 ZCPOKENMIYBXBG-UHFFFAOYSA-N 387.530 3.506 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1ccc(C(F)(F)F)nc1 1775966980 ADDYAVYOSIIGPW-LLVKDONJSA-N 382.363 3.885 0 40 GHAB Cc1nc(C)c(CN2C[C@@H]3CN(c4ncccc4C(F)(F)F)C[C@H]3C2)s1 1888864361 WDJJINZSSQFKDJ-ZIAGYGMSSA-N 382.455 3.742 0 40 GHAB COc1cccc2sc(N3CCN(Cc4csc(C5CC5)n4)CC3)nc12 1888921650 ILLCBVQIGSYQGK-UHFFFAOYSA-N 386.546 3.961 0 40 GHAB CCN1CCc2ccccc2NC2(CCN(CCc3ccccc3)CC2)CC1=O 2037985444 KDGZDNNZSSJXSR-UHFFFAOYSA-N 391.559 3.971 0 40 GHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3ccccc3)cc2C1=O 704962 BZRSLHDEGJRQEM-UHFFFAOYSA-N 399.402 3.835 0 40 GHAB CCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2OC)cc1 783924 IKKFSFOKIYWWPX-LJQANCHMSA-N 392.377 3.867 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)/C(Br)=C/c2ccccc2)n1 955900 HLJFVDDTIGRDMI-JYRVWZFOSA-N 395.278 3.623 0 40 GHAB CCCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)c1 1747955 YNGUOMWQGQAIFZ-UHFFFAOYSA-N 384.819 3.689 0 40 GHAB Clc1ccc(-n2ncc3c2ncn2nc(-c4ccncc4)nc32)cc1Cl 2425231 VTMYRAMTUPOOTP-UHFFFAOYSA-N 382.214 3.832 0 40 GHAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NC2CCCCCC2)c2ccccc21 3007583 WUPMYDHYXIOVOC-UHFFFAOYSA-N 397.519 3.531 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2F)cc1C 3023779 AFZDWYVHIFBUEQ-UHFFFAOYSA-N 390.480 3.869 0 40 GHAB COc1ccc(NC(=O)COc2ncnc3sc4c(c23)CCCC4)cc1OC 3272560 BKIIIGMHRYGFSJ-UHFFFAOYSA-N 399.472 3.605 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ncnc2sc3c(c12)CCCC3 3289720 YZCCROSBDKTWPK-CYBMUJFWSA-N 379.485 3.927 0 40 GHAB COc1cccc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)c1OC 3319325 YGHVGJVYXHIEQX-UHFFFAOYSA-N 385.460 3.688 0 40 GHAB CCNC(=O)COc1cc2oc(C)c(-c3ccc(F)cc3)c(=O)c2cc1CC 3358778 DPCYAOSTYSABTM-UHFFFAOYSA-N 383.419 3.985 0 40 GHAB Cc1c(NC(=S)N2c3ccccc3C[C@H]2C)c(=O)n(-c2ccccc2)n1C 3378716 NABUXKIIHPXUPJ-CQSZACIVSA-N 378.501 3.632 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)NCC(F)(F)F)n1-c1ccccc1 3379896 BBKUSEKCNFRNGJ-UHFFFAOYSA-N 396.394 3.606 0 40 GHAB COc1ccc(-n2ccnc(SCC(=O)Nc3cc(C)ccc3C)c2=O)cc1 4484312 CGRJEWQUCBVSJR-UHFFFAOYSA-N 395.484 3.589 0 40 GHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1C 4599754 BSNQEMPDRVHYOA-WOJGMQOQSA-N 396.468 3.987 0 40 GHAB C[C@@H](NC(=O)COCC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 4698873 KYCZJPHZFFEDTF-GFCCVEGCSA-N 381.259 3.826 0 40 GHAB CCc1nc2sc3c(c2c2nnc(SCC(=O)OC(C)C)n12)CCCC3 4848077 CJMPAJSHLZHXJR-UHFFFAOYSA-N 390.534 3.824 0 40 GHAB Cc1ccc(CN(C)C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C)c1 5313076 WVSWLNSFISMIIK-UHFFFAOYSA-N 386.801 3.796 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)c(C)c1 5329841 QJGISWVEDXCJMG-UHFFFAOYSA-N 388.489 3.630 0 40 GHAB COc1cc(-c2nn(CN3CCCCCC3)c(=S)o2)cc(OC)c1OC 5517465 SIWBDXNENORKKN-UHFFFAOYSA-N 379.482 3.732 0 40 GHAB CC(C)Cn1c(=S)[nH]c2cc(C(=O)NCc3ccccc3F)ccc2c1=O 6648677 LFFFOQOUCSBZPI-UHFFFAOYSA-N 385.464 3.784 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2)N1C[C@@H]1CCCO1 6752747 FEBVRARWOYOJEP-YCRPNKLZSA-N 375.428 3.507 0 40 GHAB CCCCc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 6767121 APCUUPKQCSEKLU-UHFFFAOYSA-N 386.517 3.994 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(SC)c1 7053496 SXCPLPXEOBNJAI-UHFFFAOYSA-N 388.308 3.980 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(Br)cc1 7115686 XWWLZLUDSNTFEI-LBPRGKRZSA-N 388.265 3.625 0 40 GHAB C[C@H]1c2cccc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)c2O[C@@H]1C 8267379 SYLRVFVCXBHGQR-HUUCEWRRSA-N 391.471 3.691 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccccc3)n2C)c1 8370008 SNVFMXJQMAXUFY-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB O=C(COc1ccc(-c2ccccc2)cc1Br)NC[C@@H]1CCCO1 8566767 NLGQVXOGRYBOMW-INIZCTEOSA-N 390.277 3.790 0 40 GHAB O=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)Nc3ccc(F)cc3)cc21 8608664 FZZWQGVQDFDGCA-AWEZNQCLSA-N 376.387 3.679 0 40 GHAB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccc(F)cc1 8748142 COCSZOHROHYKFU-OAHLLOKOSA-N 397.427 3.658 0 40 GHAB COC(=O)c1nn(Cc2csc(-c3ccc(C)cc3)n2)c(=O)c2ccccc12 8782703 SCARUMXBAMATFH-UHFFFAOYSA-N 391.452 3.663 0 40 GHAB CC[C@H](C)c1ccc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 8890021 JBNISZQBZIWBMX-WNSKOXEYSA-N 376.456 3.776 0 40 GHAB O=C(CSc1nncn1CCc1cccs1)Nc1ccccc1Cl 8936799 UBRWUSIECBPPNY-UHFFFAOYSA-N 378.910 3.967 0 40 GHAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)N4CCC(=O)CC4)c(C)c32)c1C 8990523 OJHYTPWNYCCGMY-UHFFFAOYSA-N 381.428 3.507 0 40 GHAB Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@@H]2c1ccccc1Cl 8993198 GNRTUVPLSUXAAA-IBGZPJMESA-N 391.862 3.596 0 40 GHAB CCOc1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 9039514 VTXVMCWCIISADK-INIZCTEOSA-N 397.475 3.659 0 40 GHAB CCc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccccc1 9237879 LFAZCOBHMCLBCE-ROUUACIJSA-N 379.489 3.547 0 40 GHAB COC(=O)[C@@H](C)Sc1nnc(-c2cccc(OC)c2)n1-c1ccc(OC)cc1 9365312 UMDTVOKBXOVDSF-CYBMUJFWSA-N 399.472 3.605 0 40 GHAB COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@@H]3c3ccccc3)c2c1 9421573 ZBAQGZWWMHGXAZ-QFIPXVFZSA-N 386.455 3.996 0 40 GHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(F)c2)n2ncnc2N1 9584341 JCQDSXJSKIYTDO-LJQANCHMSA-N 377.423 3.962 0 40 GHAB C[C@H](OC(=O)CCNC(=O)Nc1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2 9621791 HTDCNGWCJCEDGU-SCUMNGBJSA-N 398.503 3.915 0 40 GHAB CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cccc(C)c3)cc2)CC1=O 10461933 LOCDMQXPSLZBJC-GOSISDBHSA-N 393.487 3.834 0 40 GHAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3ccc(F)cc3nc2C)cc1 10926763 YOHHDEUNHLFKJZ-ZDUSSCGKSA-N 382.391 3.875 0 40 GHAB Cc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)CO3)cs1 11904271 HQZJOQZKUAZVBD-UHFFFAOYSA-N 379.441 3.726 0 40 GHAB Cc1cc(C)c2cc3c(nc2c1)OCC(=O)N(Cc1ccc2c(c1)OCO2)C3 12115573 WDBDFSBWIWQHJX-UHFFFAOYSA-N 376.412 3.502 0 40 GHAB Cc1c(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)oc2ccccc12 12117915 AWYUMBGDAUALFV-UHFFFAOYSA-N 375.428 3.529 0 40 GHAB CCc1onc(C)c1C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3cccnc3)ncc21 12276278 ZMBMXPXPKHCXSL-QGZVFWFLSA-N 391.475 3.841 0 40 GHAB Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(F)cc3)CC1)O2 12293750 OKEGUWIUESQILP-SFTDATJTSA-N 385.479 3.827 0 40 GHAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)c1cscn1 12337276 GNGZCSYZNWGTOH-LLVKDONJSA-N 395.406 3.604 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccco2)c1 12583625 NLILNAJRJNDMMI-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)NC1CCCCC1 12600571 XDFYCXKJJYDKRS-GDNBJRDFSA-N 378.881 3.825 0 40 GHAB C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C)c1ccc2c(c1)CCCC2 12862415 KRDRMWBSSJDZSQ-SJORKVTESA-N 391.515 3.980 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 12868185 FDJDNLQENNMWIW-GFCCVEGCSA-N 383.473 3.511 0 40 GHAB C[C@H]1Cc2cc(C(=O)N[C@H](C)c3ccccc3Cl)ccc2N1S(C)(=O)=O 12901147 OSHSSXWSYXQJQD-QWHCGFSZSA-N 392.908 3.542 0 40 GHAB Cc1cccc(C)c1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C1=O 13115719 ISIBQCTYOALSME-BVSLBCMMSA-N 399.450 3.750 0 40 GHAB CCCCCNC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583613 ALIUYRRLZUNUPG-UHFFFAOYSA-N 386.517 3.748 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C)cc1 14188199 LQNRWOLLBXEDMN-QGZVFWFLSA-N 386.517 3.916 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1oc2ccccc2c1C)c1ccc(OC)c(OC)c1 14380826 JVEUGGWXJMEWBM-MRXNPFEDSA-N 397.427 3.793 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)nc2n1 14911264 QVIOAHQPFVVSMK-UHFFFAOYSA-N 382.424 3.564 0 40 GHAB COc1ccc(C(=O)Cn2cc(-c3ccc(Cl)cc3)[n+]3c2CCC3)cc1OC 16976539 BWXVVGMVFVXEGQ-UHFFFAOYSA-N 397.882 3.942 0 40 GHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc2[nH]cnc2c1 18094952 PPUKCXRJACSSIN-UHFFFAOYSA-N 390.365 3.683 0 40 GHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[C@@H]3C=CCC3)CC1)N2 19128584 QUQJNQJVXVXHDK-HYVNUMGLSA-N 378.467 3.777 0 40 GHAB NC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CC2CCCC2)C1 19348402 KJRPPHFOGGPYDU-XMMPIXPASA-N 391.515 3.575 0 40 GHAB NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccc2)C1 19374295 UGESTGWGZVXEEU-VWLOTQADSA-N 384.479 3.914 0 40 GHAB CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(Cc3ccncc3C)C[C@H]21 19520111 JXLBPJMMAPGCIK-RBBKRZOGSA-N 393.531 3.915 0 40 GHAB COc1cccc(CC(=O)N2CCCC[C@H]3NCC[C@H](c4ccccc4)[C@H]32)c1 19564339 GUKGUFSCYXTWAU-CQOQZXRMSA-N 378.516 3.765 0 40 GHAB COc1ccc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)cc1OC 19589280 NXRYLVAEQLZCOG-TXTKFYIRSA-N 384.495 3.905 0 40 GHAB CC(C)N1CCc2nc3sc(C(=O)NCCc4ccccc4)c(N)c3cc2C1 20348163 DIQHOIJOISESOY-UHFFFAOYSA-N 394.544 3.618 0 40 GHAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(OC)c2)cc1OC 20456848 ZYZHJCATFUFKSO-INIZCTEOSA-N 387.476 3.619 0 40 GHAB Cc1cc(C)c2nc(NC3=NCN(Cc4ccccc4Cl)CN3)nc(C)c2c1 20634448 WHRWTHWCEUEKRK-UHFFFAOYSA-N 394.910 3.997 0 40 GHAB COCc1c(-c2nnc(Cc3ccccc3)o2)nnn1-c1ccc(Cl)cc1 20724467 FFGNOVYOEHMEJD-UHFFFAOYSA-N 381.823 3.708 0 40 GHAB CC[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O 20745292 BJVVBIQAQZFOOI-AWEZNQCLSA-N 389.455 3.535 0 40 GHAB C[C@@H](Oc1cccc(C=O)c1)C(=O)Nc1ccc(I)cc1 21375434 URVPOIGKLHLPCN-LLVKDONJSA-N 395.196 3.510 0 40 GHAB COc1ccccc1N1CCN(c2nnc(SCc3cccnc3)s2)CC1 23139948 GNJVBVVPJNEKMX-UHFFFAOYSA-N 399.545 3.561 0 40 GHAB CCOC(=O)c1cnn(-c2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2)c1C 24650915 CFLRXCKSYNPZCU-MRXNPFEDSA-N 391.471 3.891 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(=S)n(CN(C3CCCC3)C3CC3)nc12 24656496 BPVVFYLSBDJPMC-UHFFFAOYSA-N 397.548 3.955 0 40 GHAB CCCN(CCC)C(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 24836028 HQNYMBVTZLBFIA-HXUWFJFHSA-N 378.472 3.543 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)OCO4)o2)cc1 28234061 IOXCKNNUKKMHJT-UHFFFAOYSA-N 394.383 3.798 0 40 GHAB Cc1cc(C)n(Cc2ccc(-c3noc(C(=O)NCc4ccccc4)n3)cc2)n1 32104476 QOHGPIKXFXKAHP-UHFFFAOYSA-N 387.443 3.528 0 40 GHAB Cc1ccc(S(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1 32322298 DDPWZFSANFEIRU-UHFFFAOYSA-N 391.448 3.624 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1Cl 32589581 YEIVFBQXWGWQAX-UHFFFAOYSA-N 394.880 3.585 0 40 GHAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 32610049 PCMWJOVXTJAYOF-CABCVRRESA-N 394.258 3.844 0 40 GHAB Cc1nc2c(-c3cccs3)nc(=O)n(CC(=O)N(C(C)C)C(C)C)c2s1 32616329 VPYSXDHJVHAEKB-UHFFFAOYSA-N 390.534 3.535 0 40 GHAB CCn1nnc(NCc2ccc(OCc3ccccc3)c(Br)c2)n1 32617015 KIFKYLSCWCMMKC-UHFFFAOYSA-N 388.269 3.647 0 40 GHAB O=C(NCCCCOc1ccc(Cl)cc1)NCCc1cn2c(n1)CCCC2 32803549 YCOOWTUIBXALIT-UHFFFAOYSA-N 390.915 3.574 0 40 GHAB CC(C)c1c(C(=O)OCC(=O)c2ccc3c(c2)CCC3)cnn1-c1ccccn1 32815296 JOIJOKVFJLOJRO-UHFFFAOYSA-N 389.455 3.919 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2NC1=O 32971612 OMUXTCXSPFCQGJ-NSHDSACASA-N 396.497 3.814 0 40 GHAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 33226861 GSYKCSMTLAGWJR-XLIONFOSSA-N 392.499 3.820 0 40 GHAB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cn1 36391236 MIBPUWYCKZTTSK-OAHLLOKOSA-N 375.900 3.973 0 40 GHAB CCc1cccc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)c1 36397652 OVZHIUASZXBRAK-MRXNPFEDSA-N 390.281 3.750 0 40 GHAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1nnc(-c2ccccc2)s1 37111949 YHASBCOZTLSJIL-CQSZACIVSA-N 386.502 3.660 0 40 GHAB O=C(NCc1ccco1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 38487509 FUTHRTJBGYJQIL-UHFFFAOYSA-N 379.807 3.506 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(C3CC3)s2)c(Br)c1 40140348 CJKRIJSZAXSUMT-SECBINFHSA-N 382.283 3.892 0 40 GHAB COc1ccc(-c2nnc3sc(NC(=O)/C=C/c4ccccc4)nn23)cc1 41076461 DDINQHXCCWUTGN-KPKJPENVSA-N 377.429 3.513 0 40 GHAB biogenic NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1 44088094 KOQOUQXCBMSSPI-UHFFFAOYSA-N 375.400 3.718 0 40 GHAB O=C1C[C@@]2(CC(c3c(F)cccc3Cl)=NO2)C(=O)N1c1ccc(Cl)cc1 44920262 GVQKXPNNHSEEFA-SFHVURJKSA-N 393.201 3.959 0 40 GHAB COc1cccc([C@@H](CNCc2csc(-c3ncccn3)n2)N2CCCC2)c1 48341070 FTCPGSGZMIRMJZ-LJQANCHMSA-N 395.532 3.535 0 40 GHAB CCOC(=O)N1CCC(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CC1 55050043 CSGLOWAHEQELTN-UHFFFAOYSA-N 389.477 3.614 0 40 GHAB O=c1c2nn(-c3ccccc3)cc2cnn1CN1CCC[C@H]1C1CCCCC1 57089217 MAHVBZOIEOFCJV-FQEVSTJZSA-N 377.492 3.584 0 40 GHAB O=C(Nc1cccc(CSc2ccccn2)c1)c1cnc2ccccn2c1=O 58157000 GUQNJEOSCLDDPS-UHFFFAOYSA-N 388.452 3.634 0 40 GHAB Cc1ccc2cc(C(=O)N(C)C3CCN(CCc4ccccn4)CC3)[nH]c2c1 58197321 HOFHXNSFGPFVCC-UHFFFAOYSA-N 376.504 3.650 0 40 GHAB Cc1ccc(C)n1-c1c(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cnn1C 58823310 DORUGSUFEAGFCE-UHFFFAOYSA-N 378.263 3.969 0 40 GHAB O=c1ccc(-c2ccc(F)cc2)nn1C[C@H](O)COc1cccc2ccccc12 60333865 JTTSFUAZOSDDJY-IBGZPJMESA-N 390.414 3.643 0 40 GHAB Cc1c(C(=O)NC2CCSCC2)sc2nc(Cc3ccccc3)nc(N)c12 72289560 QBVWUQJRKHQMTJ-UHFFFAOYSA-N 398.557 3.798 0 40 GHAB CC(=O)N1CCCN(Cc2cc(-c3ccccc3)cnc2-c2ccncc2)CC1 72343214 MNFHUZHDOKETNF-UHFFFAOYSA-N 386.499 3.865 0 40 GHAB COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 72362090 IUXSUWVBAGBWAY-QGZVFWFLSA-N 390.443 3.692 0 40 GHAB CC(=O)N1CCC(N2CCC[C@H](c3nc(C)cc(Oc4ccccc4)n3)C2)CC1 72363012 ZNFQJHFWODEQLN-IBGZPJMESA-N 394.519 3.768 0 40 GHAB C[C@H]1CCC[C@H](c2ccccc2)N1Cc1nnc2n(C)c(=O)c3sccc3n12 79058999 ZKODRGLTEMAKPS-GOEBONIOSA-N 393.516 3.758 0 40 GHAB CCOc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1OCC 85385084 ILXIFHKHRWIESF-UHFFFAOYSA-N 399.447 3.962 0 40 GHAB COCc1ccc(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)o1 89375074 NVQGKKMMXKJDQH-ACJLOTCBSA-N 380.847 3.641 0 40 GHAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 89558853 DKEHQLHRZJMYII-NWDGAFQWSA-N 391.459 3.505 0 40 GHAB COC1(CNS(=O)(=O)Cc2ccccc2Cl)C2CC3CC(C2)CC1C3 96123891 OUXZCYIINZJKTJ-UHFFFAOYSA-N 383.941 3.601 0 40 GHAB COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(O)ccc2nsnc12 96232344 GKWVCWTYSMVEOA-LLVKDONJSA-N 380.372 3.693 0 40 GHAB CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 96374571 KKDAQZAMIDOOCF-UHFFFAOYSA-N 399.556 3.958 0 40 GHAB C[C@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1cc2ccccc2o1 96402251 AKZDDUQFYRKAPQ-HNNXBMFYSA-N 378.428 3.816 0 40 GHAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccccn4)o3)CC2)on1 100155974 YMKDITRCXGPEIC-GASCZTMLSA-N 395.463 3.947 0 40 GHAB COc1ccc(C(=O)/N=c2/sc3cc(Br)ccc3n2C)cc1 100808998 YFVHIFHEYDHERA-FBMGVBCBSA-N 377.263 3.752 0 40 GHAB FC(F)(F)c1ccc(OCCN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 107298835 MKHRIUYNMFRTTH-CQSZACIVSA-N 380.414 3.502 0 40 GHAB O=C1O[C@]2(CCCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)c2ccccc21 207986716 LZCZMQBBLAMGTN-QFIPXVFZSA-N 391.402 3.518 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222604939 BPUUXFWOXCCBJI-FQEVSTJZSA-N 386.467 3.537 0 40 GHAB CCN(CC)C(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 223328052 DVYYFFKXLHXPHY-UHFFFAOYSA-N 388.533 3.752 0 40 GHAB O=C(CCc1cccc(Cl)c1)NCc1nnc2ccc(-c3ccsc3)nn12 240002185 POFAXSRUQBGTGQ-UHFFFAOYSA-N 397.891 3.755 0 40 GHAB COc1cccc(Cc2cnc([C@@]3(C)CCCN(C(=O)c4cc(C)on4)C3)o2)c1 257235955 HAFJAPARDNPWPS-QFIPXVFZSA-N 395.459 3.764 0 40 GHAB O=C(NCC1CCOCC1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257330305 XNUGMYOROQFJED-UHFFFAOYSA-N 394.515 3.631 0 40 GHAB Cc1cccc(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccccc2)c1C 260903997 ZNFUKIGENGPKRF-GOSISDBHSA-N 388.533 3.659 0 40 GHAB CC(=O)N(Cc1ccc(C(C)C)cc1)c1ccc(N2CCOCC2)c(C(=O)O)c1 408568802 URBHJMAFUGADAX-UHFFFAOYSA-N 396.487 3.898 0 40 GHAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]21)c1ccccc1 409370760 AYCVRTMVAKYHHR-UKAVVXHISA-N 385.419 3.780 0 40 GHAB O=C(N[C@H]1C[C@H]1c1ccccc1)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 508285976 CVZXQUZWVXOKCH-CWBXHPNXSA-N 387.483 3.681 0 40 GHAB O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)N[C@@H]1CC12CCOCC2 514842766 FFIMSNCEHMCPCL-OAHLLOKOSA-N 380.370 3.582 0 40 GHAB Cc1cccc(CN2CCOC[C@@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)c1 585104780 SZGNEPFJFYQHTA-YKSBVNFPSA-N 378.516 3.807 0 40 GHAB O=C(C1CC(F)C1)N1CC[C@@H](OCC2CCOCC2)[C@H](Cc2ccccc2)C1 585113520 XOBINTPWJNLKQN-JYAXOCDNSA-N 389.511 3.638 0 40 GHAB CC(C)(C)NS(=O)(=O)c1cc(NC(=O)N2CCCC3(CC2)CC3)ccc1F 585123581 GHFGQBMBNLRMBR-UHFFFAOYSA-N 397.516 3.701 0 40 GHAB NC(=O)C1CCN(c2cccc(NC(=O)c3cc(C4CC4)[nH]c3C3CC3)c2)CC1 625756462 SJCUKKZYXLEZMX-UHFFFAOYSA-N 392.503 3.724 0 40 GHAB CCN1CCN(c2cccc(NC(=O)NCc3ccc4occc4c3)c2)CC1 666736140 KVUUETSIWXDHPM-UHFFFAOYSA-N 378.476 3.896 0 40 GHAB N[C@H](C(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)[C@H]1CCCO1 685938862 DOGITAQWGMFSER-DDBAPUKQSA-N 384.442 3.744 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615119000 GQHVLVBTPLASBO-QFIPXVFZSA-N 383.467 3.893 0 40 GHAB COc1cc(C)ccc1CN1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615123565 TWNHOWUJNGJSQY-UHFFFAOYSA-N 398.478 3.541 0 40 GHAB COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCCN(C)C)CCCO2)c1 1848353462 BMTNGRUSMFHQKU-DEOSSOPVSA-N 396.531 3.522 0 40 GHAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 806952 GFQDFUYVTSUXMA-UHFFFAOYSA-N 385.895 3.897 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)N1CCCC1 976443 VIWCDCUPPFREHZ-UHFFFAOYSA-N 392.528 3.632 0 40 GHAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(C(C)=O)cc1)C(C)C 3517733 OLXNGLWYSSIPMC-FQEVSTJZSA-N 382.460 3.681 0 40 GHAB Cc1cc2cc(CCNC(=O)c3cccc(Br)c3)c(=O)[nH]c2cc1C 4032753 AJQQDULACPJNEF-UHFFFAOYSA-N 399.288 3.880 0 40 GHAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cnc2n(c1=O)CCS2 4089047 HSRNVZPBHUDDMU-UHFFFAOYSA-N 376.652 3.562 0 40 GHAB O=C(CSc1ccc2nnc(-c3cccs3)n2n1)Nc1ccc(F)cc1 4326617 PIGXOEVSAPZZDJ-UHFFFAOYSA-N 385.449 3.723 0 40 GHAB Nn1c(SCc2ccc(Br)cc2F)nnc1-c1cccs1 4536667 PEVUGXWQJCASQW-UHFFFAOYSA-N 385.287 3.914 0 40 GHAB CCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)C1=O 4695190 NZYAADGGCKQSNG-SFQUDFHCSA-N 382.441 3.760 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)cc1 4902147 HLYXVYZELIUEDV-UHFFFAOYSA-N 380.366 3.560 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccc(C(F)(F)F)cc1 4941555 BSFABZMHSIVULF-UHFFFAOYSA-N 380.351 3.881 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)O)cc1 6145724 WYXZGVUGJJKNKX-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(F)cc1 6913954 JRGYFKVZULLKCN-UHFFFAOYSA-N 378.379 3.630 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(=O)[nH]c2ccccc12 6970741 VYLIHDULMWVMFW-UHFFFAOYSA-N 391.408 3.633 0 40 GHAB Cc1nnc(SCC(=O)c2cccc(N3CCCC3=O)c2)n1-c1ccccc1 7171115 HSISIZURBXVYCK-UHFFFAOYSA-N 392.484 3.678 0 40 GHAB O=c1oc2ccccc2c(N2CCN(c3ccccc3)CC2)c1CN1CCCC1 7504111 CLQLJGWQOFFMSZ-UHFFFAOYSA-N 389.499 3.715 0 40 GHAB O=S(=O)(NCCOc1ccccc1F)c1cc(C(F)(F)F)ccc1Cl 7985340 QMXJVSGNHMTQOI-UHFFFAOYSA-N 397.777 3.855 0 40 GHAB CCOc1ccc(NC(=O)[C@H]2CC=CCC2)cc1S(=O)(=O)N1CCCCC1 8072268 DHBJWHPRFPWCKK-INIZCTEOSA-N 392.521 3.555 0 40 GHAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccccc2)n1C 8087764 GOFMPKUHEBMFIT-UHFFFAOYSA-N 396.516 3.996 0 40 GHAB O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8231987 UPRIVEPAGMFEFM-OAGJVSPASA-N 376.412 3.976 0 40 GHAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1c[nH]c2ccccc12 8411186 JTPCFZLVANCGKE-UHFFFAOYSA-N 389.377 3.826 0 40 GHAB C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccc(-n2cncn2)cc1 9586894 HFGUAEIGNHPBPZ-CYBMUJFWSA-N 398.850 3.573 0 40 GHAB Cn1cnnc1SCc1cc(=O)c(OCc2ccc(C(F)(F)F)cc2)co1 10220398 TZXLUBVTGWMCIE-UHFFFAOYSA-N 397.378 3.658 0 40 GHAB COc1ccc(S(=O)(=O)NCc2ccccc2COc2ccccc2)cc1 10680850 UJWRGFUMQPUCOU-UHFFFAOYSA-N 383.469 3.753 0 40 GHAB COCC(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2ccccn2)cc1 12220529 ASGRVWGPYYZAGO-UHFFFAOYSA-N 376.460 3.592 0 40 GHAB Cc1ccc(CC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)cc1 12255562 TXJVGIUQUCVXID-IBGZPJMESA-N 387.483 3.591 0 40 GHAB COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(C)c(C)c3)CC1)C[C@H]2O 12293504 ODYPCQLMKNRRSJ-YADHBBJMSA-N 397.515 3.696 0 40 GHAB Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 12604599 QGBLDBUMEMLWAO-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CCOc1ncccc1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 12777901 KPFAAPJJSYKHFG-UHFFFAOYSA-N 395.438 3.857 0 40 GHAB Cc1ccc(C)c(OCCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)c1 12796396 RESURHVFFHTSAE-SFHVURJKSA-N 381.472 3.589 0 40 GHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 12993856 DCXOQSWDPMTFHA-UHFFFAOYSA-N 379.287 3.756 0 40 GHAB COC(=O)c1ccoc1CSc1nnc(NCCc2cccs2)s1 12995450 ICKZTRXSFXQSNU-UHFFFAOYSA-N 381.504 3.926 0 40 GHAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2Br)ccc1Cl 13340147 GEVSVFJPZQQPHS-UHFFFAOYSA-N 390.642 3.602 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C(=O)NC(C)C 13679154 OHPOMSPLUADPSU-UHFFFAOYSA-N 396.896 3.596 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714104 DJOSAAPFKOQCOX-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 14004402 SNGRWARHQBZLEH-INIZCTEOSA-N 396.468 3.893 0 40 GHAB CSCC(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]1[C@@H]2C 15708948 XNUSDDCMHYPOHT-IJSKGLLTSA-N 394.562 3.698 0 40 GHAB biogenic,in-vitro CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3c(F)cccc3F)ccc21 17286778 MAIKNACSGGNSBC-UHFFFAOYSA-N 394.443 3.710 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1nc(C)n(-c3ccc(F)cc3)n1)O[C@@H](C)C2 18238634 FDRHFJKTVSTWIG-LBPRGKRZSA-N 396.422 3.689 0 40 GHAB CCc1c(C)nc([C@H]2CCCN(CC3=Cc4cc(OC)ccc4OC3)C2)nc1O 19521539 WUUOJRKABPOVTF-KRWDZBQOSA-N 395.503 3.717 0 40 GHAB Cc1noc2nc([C@H]3CCCN(C(=O)c4cnn(C)c4C)C3)cc(C(F)F)c12 19564281 KGPYRMHTPGYGTP-LBPRGKRZSA-N 389.406 3.531 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 20050493 WOZXAVFUQDSKIK-MRXNPFEDSA-N 392.496 3.558 0 40 GHAB Cc1ccc(C)c(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)c1 20285746 BVMHVQXDCCABNE-UHFFFAOYSA-N 378.451 3.795 0 40 GHAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(CCc2ccccn2)CC1 20897288 GQVXPAQRHWYTCF-UHFFFAOYSA-N 385.511 3.600 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](NCC(C)(C)N2CCOCC2)c2ccccc2)c1 22038632 MGPOMAMZBLYCKY-QFIPXVFZSA-N 395.547 3.684 0 40 GHAB O=C(Cc1ccc2ccccc2c1)NC[C@H](c1cccs1)N1CCOCC1 22465225 NDHNUNKHQNVATH-HXUWFJFHSA-N 380.513 3.634 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1OC 24460261 UIMXYJQKYPOSQA-YRNVUSSQSA-N 398.478 3.591 0 40 GHAB COC(=O)c1sc2nc(C)nc(N(C)Cc3ccc(OC)c(F)c3)c2c1C 24585540 DHUKEMHAOLVMQO-UHFFFAOYSA-N 389.452 3.879 0 40 GHAB Cc1nc(C)c(CCC(=O)N[C@H](c2ccccc2)c2ccc(C)c(C)c2)c(=O)[nH]1 24828682 NJMVNHGJNXUCQO-HSZRJFAPSA-N 389.499 3.842 0 40 GHAB COCCOc1cc(NC(=O)Cc2ccc(-n3cccc3)cc2)ccc1OC 25226295 PVUTUSMPMJLYMF-UHFFFAOYSA-N 380.444 3.692 0 40 GHAB COC(=O)c1ccoc1CN1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 26605142 LQLYWDWZSFSZJA-OAHLLOKOSA-N 397.258 3.976 0 40 GHAB C[C@H]1CCCCN1C(=O)c1ccn(COc2ccc(Br)cc2)n1 27972938 DZCJNEMYYOZDCE-ZDUSSCGKSA-N 378.270 3.697 0 40 GHAB Cc1ccc(N(Cc2ccco2)C(=O)c2c(C)oc3ncn(C)c(=O)c23)cc1 28241727 FSOUUAWQRIJNSB-UHFFFAOYSA-N 377.400 3.583 0 40 GHAB Nn1c(SCc2ccccc2)nnc(Nc2cc(Cl)cc(Cl)c2)c1=O 28535581 STMSVDNFYRNETF-UHFFFAOYSA-N 394.287 3.695 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cn1)c1cccc(OCc2cccs2)c1 30728029 MTBHEMOGMHACTQ-UHFFFAOYSA-N 395.484 3.811 0 40 GHAB C[C@H](C(=O)N[C@H](c1cccs1)C1CCCC1)N1C(=O)c2ccccc2C1=O 31805956 LASWBIQDJQYQRS-ACJLOTCBSA-N 382.485 3.780 0 40 GHAB COC(=O)c1c(NC(=O)CC2(CC(=O)O)CCCCC2)sc2c1CCC2 32496875 DUIPKXFKVMJUCP-UHFFFAOYSA-N 379.478 3.777 0 40 GHAB Cc1cccc([C@@H](CC(=O)NCCSc2ccc(C)c(C)c2)NC(N)=O)c1 32795828 JCCQLTXQJQTLNZ-LJQANCHMSA-N 385.533 3.620 0 40 GHAB CCOc1cc2c(cc1NC(=O)[C@@H]1CC(c3cccc(F)c3)=NO1)O[C@@H](C)C2 33162650 DEAJDOHPZLIQBJ-YUNKPMOVSA-N 384.407 3.680 0 40 GHAB O=C(Nc1nncs1)c1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)co1 36359027 SFPQGIWJPRNLOZ-UHFFFAOYSA-N 398.227 3.629 0 40 GHAB CC(C)Cn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1cccnc1 39748493 ABRRAZZHPDRMFF-LBPRGKRZSA-N 388.522 3.572 0 40 GHAB COC(=O)c1cccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)n1 40132317 AKNUDYCWWRNNKO-UHFFFAOYSA-N 387.848 3.821 0 40 GHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2cccc(F)c2)n2ncnc2N1 40484560 QKYNXVZDXMPZTL-QGZVFWFLSA-N 383.814 3.998 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 40640014 KQBSFNLVEUSBQY-UHFFFAOYSA-N 378.881 3.831 0 40 GHAB C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)C1C2CC3CC(C2)CC1C3 42600041 VYBUTYOGEVSAAU-BTABBWLSSA-N 395.591 3.776 0 40 GHAB COC(=O)c1ccc(CSc2nnc(NC(=O)c3cc(C)cs3)s2)o1 43939671 PYLBJEAYRIDCDD-UHFFFAOYSA-N 395.487 3.832 0 40 GHAB CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1cccc(NC(C)=O)c1)CC(C)C 45537906 FJLLCZYAQLOCMU-OXQOHEQNSA-N 376.545 3.762 0 40 GHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CC=C(c2ccc(O)cc2)CC1 46957566 FSQUZUNMHKIWLR-GOSISDBHSA-N 377.488 3.717 0 40 GHAB Cc1occc1-c1nnc(SC[C@@H](O)COCc2ccc(Cl)cc2)n1C 48368007 FRFDBKDNQFHAML-HNNXBMFYSA-N 393.896 3.707 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2ccccc2Cl)c(Nc2cccc(F)c2)n1 57506095 LARZWSZXNCSHCW-UHFFFAOYSA-N 386.814 3.727 0 40 GHAB CCCCCN(Cc1ccc(F)cc1)C(=O)c1nn(C)c(=O)c2ccccc12 57512617 AOKVKQWYUTXZMQ-UHFFFAOYSA-N 381.451 3.905 0 40 GHAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cccc(-c3nccn3C)c2)CC1=O 65011594 SUPOJVNLPNFQIZ-LPHOPBHVSA-N 388.471 3.635 0 40 GHAB O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 68825662 SVNZJBGHLHLVEY-GFCCVEGCSA-N 399.390 3.871 0 40 GHAB COCCC(=O)N1CCCC[C@@H]1c1nc(C)cc(Nc2nc(C)c(C)s2)n1 72383925 GXNXYZRJEBQUAS-OAHLLOKOSA-N 389.525 3.692 0 40 GHAB O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1cc(C2CC2)on1 77200909 LQWODZHUSGCMBU-UHFFFAOYSA-N 393.443 3.580 0 40 GHAB Cn1c(CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc(=O)n(C)c1=O 84303560 MSKSKIPNXCKTOC-LJQANCHMSA-N 386.904 3.760 0 40 GHAB Cc1cc(CCC(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)ccc1Br 89587440 NOQTWWOYIBOZEK-KXBFYZLASA-N 390.321 3.798 0 40 GHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccccc1-n1cnnn1 96232238 XBHSDZBSOIRFHV-QGZVFWFLSA-N 392.850 3.604 0 40 GHAB Cc1nn(Cc2ccccc2F)c(C)c1NS(=O)(=O)c1ccccc1F 96286874 ZKINRJPSLFBTCO-UHFFFAOYSA-N 377.416 3.627 0 40 GHAB CO[C@H]1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)nn3C)cc2)C1 96381520 REVNYQLPPBRUHL-IBGZPJMESA-N 376.460 3.565 0 40 GHAB CCOCc1cc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ccccn2)ccc1OC 100149012 UESVCGQZUGZTDR-SFTDATJTSA-N 396.531 3.746 0 40 GHAB C[C@H](Oc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)c1ccccc1 102593060 RZWDZOBCJKFJNC-SIPRGPJJSA-N 387.435 3.648 0 40 GHAB COC(=O)[C@@H]1C(=O)[C@H](Sc2ccc(Cl)cc2)C(=O)C[C@@H]1c1ccccc1 103108812 GDCAUZKTHGMTTM-HHXXYDBFSA-N 388.872 3.916 0 40 GHAB COc1nc2ccccc2nc1N1CCC[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1 105730583 SDPKIVMGXHUENL-XLAORIBOSA-N 396.535 3.796 0 40 GHAB O=C(NCc1ccc(Cl)cc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206789760 UOXARHBWNAPIIE-OAHLLOKOSA-N 398.816 3.832 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)ccc3C)n2)c1 219077199 PJHHBFVBPRHWBM-INIZCTEOSA-N 395.459 3.788 0 40 GHAB CCCCc1ccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220308070 XBIRTXPZJSDKRZ-HNNXBMFYSA-N 392.496 3.962 0 40 GHAB Cc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 222941665 WVFPFGDEYKMSLE-JOCHJYFZSA-N 386.451 3.719 0 40 GHAB CCCC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)N[C@H](C)CC 223198511 ONCXSWDMGQUJLW-KGLIPLIRSA-N 383.330 3.881 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1 223719063 OLQVAALUGAZKKX-GOSISDBHSA-N 380.488 3.542 0 40 GHAB CCn1c(=O)sc2cc(NC(=O)COc3cccc4c3CCCC4)ccc21 225123113 PWOPLIJRPYZAOR-UHFFFAOYSA-N 382.485 3.979 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 225389860 SPNKVGXJURMQEO-NRFANRHFSA-N 382.504 3.571 0 40 GHAB COc1ccc(-c2noc(C(=O)NCc3cc(F)cc(F)c3)c2[C@H](C)O)cc1 225429040 BIYYRJVRMFQBAY-NSHDSACASA-N 388.370 3.612 0 40 GHAB biogenic,in-vitro CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC)c1ccc(C)cc1 225693736 BPIKLZSXOKNMIM-INIZCTEOSA-N 390.530 3.821 0 40 GHAB COc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Cl)cc32)cc1Cl 225735225 PSMYWJITWVQHFI-UHFFFAOYSA-N 377.227 3.956 0 40 GHAB CC1CCN(c2cc(Cl)nc(NC(=S)NCc3ccccc3)n2)CC1 225929583 UWHGJEVGPKYBRH-UHFFFAOYSA-N 375.929 3.853 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N2CCC(F)(F)CC2)[C@@H]1c1ccc(Cl)cc1 257322437 WFZNCTPIBGSDKA-WBVHZDCISA-N 384.854 3.897 0 40 GHAB O=C(N1CCCC1)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 306136678 PZYPUHNLXGJORA-UHFFFAOYSA-N 392.503 3.859 0 40 GHAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C(N)=O)cc2)cc1 408675624 JVUKMMMIFPPFOW-UHFFFAOYSA-N 397.434 3.835 0 40 GHAB Fc1cccnc1-c1nc(-c2nc(-c3ccc4c(c3)OCCO4)no2)cs1 562195624 CDVRODJNHYQWCB-UHFFFAOYSA-N 382.376 3.832 0 40 GHAB O=C(O)[C@@H](c1ccc(F)cc1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 569856824 KAFOMYDVEULDRC-GOSISDBHSA-N 380.423 3.616 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](Oc3ccncc3Cl)C2)c(C)c1 575612779 NAXMMVQYOOCSKJ-INIZCTEOSA-N 394.924 3.892 0 40 GHAB CC(C)Sc1ccc(CC(=O)N2CCC[C@@H](Oc3ncc(F)cn3)C2)cc1 575612784 NDIMEEIGFDVRQZ-QGZVFWFLSA-N 389.496 3.729 0 40 GHAB Cc1cnccc1OC1CCN(C(=O)N[C@H](C)c2nc3c(s2)CCC3)CC1 578495328 LBBYNIWYMYKCPA-CQSZACIVSA-N 386.521 3.649 0 40 GHAB CCN(C(=O)c1ccnc2ccnn12)[C@H](C)Cc1ccc(C(F)(F)F)cc1 585123885 KEQZQJXKGNYMRQ-CYBMUJFWSA-N 376.382 3.841 0 40 GHAB C[C@@H](NC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccc(-n2cccn2)c(F)c1 654573314 ZHBGIHURHYFMBX-UAOJZALGSA-N 386.471 3.719 0 40 GHAB CCN(Cc1ccccc1NC(=O)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21)C(C)=O 665534302 OUZBPZPGKYHDRG-HMXCVIKNSA-N 381.451 3.654 0 40 GHAB COc1sc(CN2CC(c3nc4ccccc4[nH]3)C2)cc1Br 678314416 CGLIQSNGOLIUKL-UHFFFAOYSA-N 378.295 3.995 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3c(F)cccc3F)C2)CN1c1cccc(F)c1 1615122531 PNFFBSRNMZNDSN-NRFANRHFSA-N 390.405 3.502 0 40 GHAB CSc1cccc(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 12327292 WXPMONZNSANOQX-INIZCTEOSA-N 383.517 3.698 0 40 GHAB NC(=O)c1sc2ccccc2c1NS(=O)(=O)c1ccc2c(c1)CCCC2 78900021 QGNOEQDTCPVIOJ-UHFFFAOYSA-N 386.498 3.680 0 40 GHAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)Nc1ccccc1F 4469722 NAGFAAPTNXZQEI-JTQLQIEISA-N 391.859 3.571 0 40 GHAB O=C(CCCCCC(=O)Nc1cccc2cn[nH]c12)Nc1cccc2cn[nH]c12 105578886 SIOGYDYURBMIAG-UHFFFAOYSA-N 390.447 3.967 0 40 GHAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1 6242941 HQRCJOBZHFTOLX-CYBMUJFWSA-N 385.489 3.949 0 40 GHAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccccc1Br)CC3 6887299 KFUPTKHCLQUXND-FMIVXFBMSA-N 397.228 3.802 0 40 GHAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccc(C)cc1 6948082 OCJCTFKOACXCCA-UHFFFAOYSA-N 394.544 3.996 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccs2)c1 24755018 IFBBLVWDPGRXCV-GOSISDBHSA-N 387.482 3.603 0 40 GHAB O=C(Cc1csc(-c2ccco2)n1)Nc1cc(Cl)ccc1-n1cncn1 24892927 DHYXHYYLYJDOLE-UHFFFAOYSA-N 385.836 3.818 0 40 GHAB O=S(=O)(/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1)c1ccccc1 57291970 QAFOCPOZHCOVOR-XDOYNYLZSA-N 393.493 3.890 0 40 GHAB CC(=O)c1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2)c1 1508174 NJNANQATIGGRIT-UHFFFAOYSA-N 398.418 3.790 0 40 GHAB CSc1cc(C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)c(Cl)cc1Cl 95944180 GLPXJGBQXHLVNT-INIZCTEOSA-N 394.320 3.538 0 40 GHAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)cc1 57383103 PHRVSYKQLFYBGW-OAHLLOKOSA-N 395.434 3.638 0 40 GHAB COc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(F)(F)F)cc1 27570383 KRPQPXVNXMOWGZ-KRWDZBQOSA-N 398.768 3.850 0 40 GHAB Cc1ccc([C@H](NCC(=O)Nc2sccc2C(N)=O)c2cccs2)cc1 57471040 DMSSMTMVNBACSC-KRWDZBQOSA-N 385.514 3.535 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2cc(C(C)C)nc3onc(C)c23)CC1 71281840 CGVWGCVGACBGHY-UHFFFAOYSA-N 394.475 3.626 0 40 GHAB C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccncc1 22023870 FULUZPYMYTURKY-ZDUSSCGKSA-N 378.398 3.589 0 40 GHAB Cc1cc(C(=O)Nc2ccc(OCCN(C)C)cc2)c(C)n1-c1cccnc1 58492042 KJQCIJWBIPASDR-UHFFFAOYSA-N 378.476 3.682 0 40 GHAB COc1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccc(C)cn2)c(OC)c1 100728415 VORCYJXEDRDUQI-RTBURBONSA-N 382.504 3.527 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cc1Cl 3346766 QZHDNQVIKIOQSB-OAQYLSRUSA-N 399.878 3.530 0 40 GHAB Cc1ccc(-n2c(SCC(=O)N3CCC3)nnc2-c2ccccc2)cc1C 3340057 FIGAKQLYQSICCZ-UHFFFAOYSA-N 378.501 3.876 0 40 GHAB Cc1[nH]c(SCc2nnnn2Cc2ccccc2)nc1Cc1ccccc1 11229680 QNABOXIHOIFIJS-UHFFFAOYSA-N 376.489 3.636 0 40 GHAB O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)c1ccc(F)cc1 2437227 DVNHNQKJTHIZSK-UHFFFAOYSA-N 391.431 3.838 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)CCCOc2ccccc2C)CC1 12820472 DRSDOFGDYGZUNX-UHFFFAOYSA-N 381.520 3.935 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 12801888 COBSHIAPOGFLRE-IBGZPJMESA-N 386.498 3.774 0 40 GHAB CCC[C@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1ccccc1 37218936 KAACKNBHRPOLPP-BEFAXECRSA-N 386.517 3.668 0 40 GHAB O=C(Cc1csc(-c2ccc(F)cc2)n1)NC[C@@H]1CCCN2CCCC[C@H]12 12296496 LWRUYEAZPSHWLD-QFBILLFUSA-N 387.524 3.872 0 40 GHAB biogenic COc1ccc(C(=O)NCCCCN2CCC[C@@H](C)C2)cc1Br 46991415 NMTSULUIFCFJEF-CQSZACIVSA-N 383.330 3.700 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2cccc(Cl)c2)cc1 22275900 HPZKCTCBSIYFJP-UHFFFAOYSA-N 394.924 3.758 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2Br)cc1 12988052 VVPWDBJRJNJQMC-MRXNPFEDSA-N 396.306 3.984 0 40 GHAB O=C(NCCc1cccc(Cl)c1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12912002 CAEYENFEJXOWGP-QGZVFWFLSA-N 388.870 3.690 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSCc1ccc(Cl)s1 9155080 FQAVKQBMHXKZKT-UHFFFAOYSA-N 393.921 3.530 0 40 GHAB CC(C)COCc1c(I)cnn1CCC(F)(F)F 408716825 RJVMZSHPOQVCCF-UHFFFAOYSA-N 376.160 3.613 0 40 GHAB COc1ccccc1OCc1nn2c(-c3cc4ccccc4[nH]3)nnc2s1 13727158 LFTZAVVQGCOGJJ-UHFFFAOYSA-N 377.429 3.922 0 40 GHAB CN(Cc1cc2cccc3c2n(c1=O)CCC3)C(=S)Nc1cccc(F)c1 13731169 DKZHSOZAIKXEHJ-UHFFFAOYSA-N 381.476 3.916 0 40 GHAB COCCCNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O 5348015 QLNRZFJMYXZLQF-UHFFFAOYSA-N 385.460 3.840 0 40 GHAB Cc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)C(C)(C)C)cc3C2=O)c(C)c1 4545230 NQXNWADVGOQHBZ-UHFFFAOYSA-N 393.439 3.876 0 40 GHAB CN(C(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1ccccc1 5439296 IQUFQZVUUVUFNW-UHFFFAOYSA-N 378.881 3.547 0 40 GHAB COc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c(OC)c1 6616562 VUUKXCYHKPRNCK-SFHVURJKSA-N 387.505 3.961 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1 4702910 AIHRFXXVDZDSSG-UHFFFAOYSA-N 392.546 3.635 0 40 GHAB CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2cc(Cl)ccc2F)c1 5638003 VLSZXVFZKNKEBZ-UHFFFAOYSA-N 387.889 3.538 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H](Sc1nc(N)cc(N)n1)c1ccccc1 6831836 CBBXDBUXUVTUSV-SFHVURJKSA-N 395.488 3.512 0 40 GHAB O=C(CCn1c(=O)oc2ccccc21)OCc1csc(-c2ccc(F)cc2)n1 7622014 QUGQUFIZEXUURL-UHFFFAOYSA-N 398.415 3.991 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)cc1 408548795 VHTMCVOXSZCPGJ-CQSZACIVSA-N 380.897 3.750 0 40 GHAB CC(C)c1ccc(-c2nnc(NC(=O)c3cccc(-n4cnnn4)c3)s2)cc1 7987417 UCROOKCDVCJYNW-UHFFFAOYSA-N 391.460 3.557 0 40 GHAB CC(=O)N[C@H]1C(=O)N(CCCOc2ccccc2Cl)c2ccc(Cl)cc21 8048045 FRCOAMLMXBLTPR-GOSISDBHSA-N 393.270 3.986 0 40 GHAB Cc1cc(C)n2nc(C(=O)N3CCCC[C@H]3c3nc4ccccc4s3)nc2n1 8039442 KOHSMGHFJRIGFD-HNNXBMFYSA-N 392.488 3.718 0 40 GHAB Cc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1NC(=O)c1ccco1 8346247 VZSMHTZSLZRASH-UHFFFAOYSA-N 392.411 3.841 0 40 GHAB CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@@H](C)CCc1ccccc1)cn2C 22237396 IZMYAZXMEYWMNW-INIZCTEOSA-N 378.472 3.688 0 40 GHAB Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccco4)s3)CC2=O)cc1C 8654685 KZGWERRVILTFGP-ZDUSSCGKSA-N 382.445 3.521 0 40 GHAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(CN2CCCC2=O)c1 8779696 DVQYEHBOANGYHR-UHFFFAOYSA-N 391.515 3.681 0 40 GHAB COCCc1ccc2oc(NC(=O)Cc3csc(-c4ccccn4)n3)nc2c1 72313704 JZNMEJMKBMEZMT-UHFFFAOYSA-N 394.456 3.716 0 40 GHAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)Nc1cc(Cl)cc(Cl)c1O 95983104 CIJZOBAUXLPQKQ-OAHLLOKOSA-N 395.286 3.929 0 40 GHAB CC[C@@H](NC(=O)N1CCCN(c2ccccc2F)CC1)c1c(C)nn(C)c1C 553972348 RRBLRDMKRHHOCK-GOSISDBHSA-N 387.503 3.549 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CN2CCC(COCc3ccccc3)CC2)c1 70655720 SXZNYNXTNSMKPG-UHFFFAOYSA-N 395.503 3.512 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccccc2CN2CCCC2=O)c1 31950171 ZGDAYKOFNJZSTG-UHFFFAOYSA-N 394.515 3.936 0 40 GHAB Cc1cccc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2cccs2)c1 306133692 MSWGGYWXTQSPKU-RTWAWAEBSA-N 377.513 3.940 0 40 GHAB Cc1cc(C(=O)Nc2c(C)nn(C)c2C)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616344 XHGORVZJHRGVOY-UHFFFAOYSA-N 392.438 3.779 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2cccc3ccccc23)ccc1OC 408699109 UTMCHCRDOOXNQW-UHFFFAOYSA-N 384.457 3.998 0 40 GHAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Br)s3)C2=O)c1 409243836 UYOGWQHULAMQPW-MDWZMJQESA-N 377.263 3.912 0 40 GHAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)[C@H](C)Cn2nc(C)nc2C)cc1 72337844 WLHWAEMDYALJLU-YEDVGVMFSA-N 396.535 3.628 0 40 GHAB CCc1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 219297034 CMCOUWAGFGIZPU-HNNXBMFYSA-N 395.459 3.734 0 40 GHAB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccccc1OC)CC(C)(C)O2 219503419 BYHQXSLQPWOPLS-WMLDXEAASA-N 385.460 3.890 0 40 GHAB Cc1cccc(Cc2cccc([C@H]3CCCN(CC(=O)N4CCCC4)C3)n2)c1 72348779 FUESCDUSYCFDFH-NRFANRHFSA-N 377.532 3.783 0 40 GHAB N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 72227323 PKKVKQNBXWEMAA-KBPBESRZSA-N 385.183 3.883 0 40 GHAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1cccc2c1ccn2C(C)C 72324584 YYKLQEHESJIRBN-UHFFFAOYSA-N 390.443 3.585 0 40 GHAB biogenic Cc1ccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1C 33559749 UKNHZQBRYCSAII-CQSZACIVSA-N 380.897 3.750 0 40 GHAB Cc1ccc([C@@H]2CN(CC(=O)N3CCC[C@H](C)[C@@H]3C)C[C@H]2c2csnn2)cc1 72341402 OKXDKRMWHYEUNX-QGZVKYPTSA-N 398.576 3.677 0 40 GHAB COc1ccc(CCNC(=O)CCc2ncc(-c3cccc(OC)c3)o2)cc1 224843690 YDSBCXIJEWYPDU-UHFFFAOYSA-N 380.444 3.650 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1Cl 223092467 XEJDALPQUOXLPN-GOSISDBHSA-N 388.895 3.581 0 40 GHAB O=C(NCC1CCCCC1)c1cccc(NS(=O)(=O)c2cccs2)c1 40143149 FIWAVNRTVWQUKL-UHFFFAOYSA-N 378.519 3.859 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1 224094310 MOQVBNQAMJYHQM-HXUWFJFHSA-N 384.545 3.863 0 40 GHAB CCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1 225047669 RVMZSUADPXEWJB-UHFFFAOYSA-N 385.441 3.518 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1cccc(C)c1C 224629737 LTMZCIZJFATJEO-NRFANRHFSA-N 396.531 3.668 0 40 GHAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC 223262070 VFRPPUXRGSJGBV-QFIPXVFZSA-N 396.531 3.961 0 40 GHAB CC[C@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(S(C)(=O)=O)cc1 225724372 BVNVLILCMNVKSI-INIZCTEOSA-N 384.473 3.806 0 40 GHAB CC(C)(Cc1ccccc1)NS(=O)(=O)Cc1cccc(Br)c1 225428267 XGYKIKBPDUZNLY-UHFFFAOYSA-N 382.323 3.890 0 40 GHAB CC(C)CNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224265260 VBHAEBMLGYJYNY-UHFFFAOYSA-N 380.897 3.551 0 40 GHAB COCc1nocc1C(=O)N1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 585085519 HYTFFOZJGQCART-NRFANRHFSA-N 378.428 3.769 0 40 GHAB CCOc1ccc(-c2nc(N3CCCC3)sc2CC(=O)O)cc1OCC 95097221 NFZZXLSGPMHRJG-UHFFFAOYSA-N 376.478 3.835 0 40 GHAB CCN(CC)C(=O)CN1CCO[C@@H](c2cc(Cc3ccc(C)cc3)cc(C)n2)C1 257340118 ZEQHKCOFUSNHQH-HSZRJFAPSA-N 395.547 3.531 0 40 GHAB O=C(c1ccncc1)N1CCO[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257211749 CAGLKDOGKXNHEM-SFHVURJKSA-N 383.835 3.528 0 40 GHAB C[C@]1(O)CN(Cc2ccc(Br)cc2)CC[C@@H]1Oc1cccc(F)c1 257339575 ZCJDUMVIHPOGGL-OALUTQOASA-N 394.284 3.993 0 40 GHAB CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCN(Cc3ccc(F)cc3)C2)nc1C 257286793 PNBHHXCCTJBIFG-LJQANCHMSA-N 398.526 3.633 0 40 GHAB Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1 257344425 ZXDSICYMYBNFNT-VIOKTNGOSA-N 389.455 3.967 0 40 GHAB O=C(Nc1ccc2sc(C(=O)O)cc2c1)c1cn(CCc2ccccc2)nn1 1601613933 OVFISHHXKRRXPJ-UHFFFAOYSA-N 392.440 3.686 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1C1CC1 260918200 LFNGBGOPMADCPB-DUXKGJEZSA-N 396.560 3.986 0 40 GHAB CS(=O)(=O)c1cc(NC(=O)NC2CCC3(CC2)CC3(F)F)ccc1Cl 666853663 GGQQIBDXYOAIHF-UHFFFAOYSA-N 392.855 3.833 0 40 GHAB O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCc1ccc(Cl)cc1 17297866 ZZUFALZBYZDYMM-UHFFFAOYSA-N 388.939 3.721 0 40 GHAB COc1cc(CN(C)C(=O)C(C)(C)c2ccccc2Br)sn1 1615610519 KOXWZAAZRDZMML-UHFFFAOYSA-N 383.311 3.850 0 40 GHAB O=C(NCC(F)(F)c1ccc(F)cc1)N[C@@H]1CCO[C@@H](c2cccnc2)C1 661275550 XIFZJOYWEFBBME-IAGOWNOFSA-N 379.382 3.532 0 40 GHAB CC(=O)Nc1ccc(C2=N/C(=C/c3cc(Br)cs3)C(=O)O2)cc1 1046019 XBIPCEMUQMLAMY-VGOFMYFVSA-N 391.246 3.814 0 40 GHAB O=C(Nc1nc(CN2CCCC2)cs1)c1ccc(OC[C@@H]2CCCO2)cc1 12903734 MZWDGFKIQZRIPS-SFHVURJKSA-N 387.505 3.549 0 40 GHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)N1CCc2ccccc21 13596252 PVJNWQZWCJXOIG-UHFFFAOYSA-N 392.480 3.718 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)on1 19119824 ABWVEPRLPWUTKG-IFUGULHKSA-N 397.401 3.507 0 40 GHAB Oc1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(C(F)(F)F)cc1)C2 19402321 JJWFNJQMSZJMAB-UHFFFAOYSA-N 386.377 3.821 0 40 GHAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)[C@@H]4CCCO4)C3)noc2n1 19521944 JCSKQDLCWWPYJN-FZMZJTMJSA-N 397.397 3.689 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2COc3c(cccc3OC)C2)c(OC)c1 19552092 MXTKRHCOKICTGL-LPHOPBHVSA-N 397.471 3.627 0 40 GHAB COc1ccc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)cc1 19553072 LYBVYPSRVBTIHD-UHFFFAOYSA-N 395.484 3.527 0 40 GHAB COc1cccc(CN(Cc2n[nH]nc2-c2ccccc2)C[C@@H]2CCCO2)c1 19564638 NQVTYGCOIOQGTL-FQEVSTJZSA-N 378.476 3.662 0 40 GHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2C(=O)c2ccccn2)n1 19689565 BZFQHCVAUAMVMH-LJQANCHMSA-N 391.450 3.721 0 40 GHAB Cc1cc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)ccc1Br 6188962 YJCNGPUKHXEABS-AUWJEWJLSA-N 386.201 3.831 0 40 GHAB Cn1nccc1[C@@H]1CCCN(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)C1 548889559 DVJAWXRKVDQHCZ-CQSZACIVSA-N 390.890 3.833 0 40 GHAB Cc1cc(C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)cs1 13225283 QORLWYPTLZBLGS-UHFFFAOYSA-N 379.485 3.723 0 40 GHAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(-n2cccn2)c1 19714435 SBPDUJAHINKQHC-UHFFFAOYSA-N 383.835 3.868 0 40 GHAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccco1 3219350 XWSJZSWAJADJQC-UHFFFAOYSA-N 376.368 3.561 0 40 GHAB COc1ccc(CCNC(=O)NCCn2nc(C)c(-c3ccccc3)c2C)cc1 238814482 BCSFSBIPGWLPKQ-UHFFFAOYSA-N 392.503 3.717 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)cc1 780970 HZIWCEDMDNHAHD-UHFFFAOYSA-N 381.457 3.817 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1cc(C)ccc1C 5255065 KJBSHZHZYAOITO-UHFFFAOYSA-N 392.455 3.913 0 40 GHAB Cc1ccc(-n2ccnc2N2CCN(C(=O)CCCc3ccccc3)CC2)cc1 11695668 OYXRBSLQMPRSSL-UHFFFAOYSA-N 388.515 3.852 0 40 GHAB C[C@@H]1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1 4496740 CKSCLEIZVCFKBB-SNVBAGLBSA-N 378.494 3.842 0 40 GHAB O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(Br)cc1 5015093 YHAUVJNEWWVOPC-UHFFFAOYSA-N 377.263 3.854 0 40 GHAB Cc1ccc[nH]/c1=N\S(=O)(=O)c1ccc(Br)c2ccccc12 41096141 CGEAHGGFDOYDCV-UHFFFAOYSA-N 377.263 3.528 0 40 GHAB CCNC(=O)COc1ccc(NC(=O)N(C)Cc2c(F)cccc2Cl)cc1 40104826 DDECUYAYZVYYAR-UHFFFAOYSA-N 393.846 3.658 0 40 GHAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 102093711 GVNXWDVZBFGYFM-ILHTXMRTSA-N 389.451 3.973 0 40 GHAB COc1ccc(N(C(=O)c2cn(-c3ccc(F)cc3)nn2)[C@@H](C)C2CC2)cc1 102248932 OFXLNZSVXDYDEF-AWEZNQCLSA-N 380.423 3.860 0 40 GHAB COc1cc2nc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)sc2cc1OC 21558793 IAVJOWYUAWJRIB-UHFFFAOYSA-N 397.456 3.914 0 40 GHAB Cn1nnnc1-c1cccc(NC(=O)COC(c2ccccc2)c2ccccc2)c1 21561034 VBXNNBOUUMDNCP-UHFFFAOYSA-N 399.454 3.622 0 40 GHAB Cc1sc2nc(-c3ccc(C(=O)Nc4ncccc4O)cc3)nc(N)c2c1C 22102369 GXKCFFQVGASHBR-UHFFFAOYSA-N 391.456 3.910 0 40 GHAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 803023 AJDUOLLFTPIJCR-UHFFFAOYSA-N 385.272 3.568 0 40 GHAB Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 905648 PPCCHRFLYNXVMM-KRWDZBQOSA-N 394.496 3.859 0 40 GHAB Cc1cc(C)c(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)c(C)c1 958491 JMZQNWOXYYRXRE-NSHDSACASA-N 396.516 3.542 0 40 GHAB O=C(N[C@H]1CON=C1Br)OCC1c2ccccc2-c2ccccc21 988689 DALYJQZODHVOCX-INIZCTEOSA-N 387.233 3.632 0 40 GHAB O=C([C@H]1CCCN(Cc2ccccn2)C1)N1CCC(Cc2ccccc2)CC1 1277532 HBFZNKLHHSIZCR-QFIPXVFZSA-N 377.532 3.775 0 40 GHAB CSc1nc(C)cc(O[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)n1 1469991 GISPGJPCEMERDH-JTQLQIEISA-N 386.732 3.744 0 40 GHAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC 1744764 RQGDZBNMUUSNFZ-VZUCSPMQSA-N 396.487 3.973 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCC3)cc1C 2715866 XOLFZQPWPCUHLB-UHFFFAOYSA-N 393.462 3.983 0 40 GHAB CCCCn1c(SCC(=O)NC2CCCCC2)nc2ccsc2c1=O 2909261 UOLHPJRVVVGSHN-UHFFFAOYSA-N 379.551 3.799 0 40 GHAB O=C(Nc1nccs1)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 3041344 PWTHVEMHTJUJEE-UHFFFAOYSA-N 380.256 3.912 0 40 GHAB Cc1cccc(-n2c(S[C@H]3CCOC3=O)nc3sc(C)c(C)c3c2=O)c1 3445396 XXCALYOTYXQYPO-AWEZNQCLSA-N 386.498 3.780 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)N(C)Cc2ccc(Br)cc2)cc1 3456893 ZLEYGWYSYFXMNX-AWEZNQCLSA-N 391.309 3.594 0 40 GHAB CCc1ccc(-n2c(SCC(=O)N[C@@H](C)CC)nnc2-c2ccncc2)cc1 3580331 NPRQYMDAIMZNFA-HNNXBMFYSA-N 395.532 3.899 0 40 GHAB FC(F)(F)c1cccc(NC(=S)NNC(=S)NC2CCCCC2)c1 4608240 CBTUDNMBZQDHGD-UHFFFAOYSA-N 376.473 3.704 0 40 GHAB CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc(F)c3ccccc13)OCO2 4751779 AELOUTHDYPUMCQ-UHFFFAOYSA-N 387.388 3.711 0 40 GHAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)NCc1ccco1 4985389 QXDCPAYIHGHIIZ-CQSZACIVSA-N 382.489 3.594 0 40 GHAB COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1ccc(C)c(C)c1)CC2 5389087 YKRYCINSHAWYDK-HNNXBMFYSA-N 375.490 3.629 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)CCC(C)C)ccc1Cl 5443634 BPXWTWHWQGTUBY-CQSZACIVSA-N 388.961 3.925 0 40 GHAB O=C([C@H](Sc1nnc(-c2ccc(F)cc2)o1)c1ccccc1)N1CCOCC1 5473280 SPFQXSZBTSVWON-QGZVFWFLSA-N 399.447 3.568 0 40 GHAB CN(C)c1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1 5569735 AMJODKJLRBQMEA-UHFFFAOYSA-N 378.295 3.642 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 5870079 PUUIKIMCXYJBOO-MRXNPFEDSA-N 375.350 3.972 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c1C 6063674 ICQFAOZVRYQIBW-UHFFFAOYSA-N 387.476 3.751 0 40 GHAB O=C(Nc1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1F 6147025 QBGBVHHRESHDAX-UHFFFAOYSA-N 376.434 3.940 0 40 GHAB Cc1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nc2ccccc12 6275689 WSUMJMVTMHVQHA-UHFFFAOYSA-N 394.500 3.506 0 40 GHAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 6295972 BCGKMTAQDPPSKH-WQRHYEAKSA-N 380.425 3.564 0 40 GHAB CC(=O)N1CCC(C(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)CC1 6604682 BEMPJDNWGJATHG-UHFFFAOYSA-N 379.432 3.594 0 40 GHAB CCOc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1OCC 6662110 HCWCYOSCPZHRLV-UHFFFAOYSA-N 381.432 3.606 0 40 GHAB Cn1nc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2c1=O 6790745 STWMUKNGIHAYTF-UHFFFAOYSA-N 381.741 3.858 0 40 GHAB Cc1cccc(-c2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)o2)c1 6846987 IGPRELRHBPRPDL-SFHVURJKSA-N 395.484 3.737 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)nnc1C1CC1 6993395 IZTGPUMCSHSWLC-UHFFFAOYSA-N 385.537 3.897 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)no1 7110132 BMNYPEVYBNIABI-GFCCVEGCSA-N 389.408 3.514 0 40 GHAB COc1cccc(C(=O)OCC(=O)c2cccc(Br)c2)c1OC 7182129 XLLILOHSAGAGKE-UHFFFAOYSA-N 379.206 3.506 0 40 GHAB O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccc(OC[C@@H]2CCCO2)cc1 7218945 ZTMQPCVBPHBIPN-SFHVURJKSA-N 398.390 3.791 0 40 GHAB Cc1cc(C)cc(N2C[C@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)c1 7615830 DMAPYTIFWNEQIX-OAHLLOKOSA-N 377.400 3.603 0 40 GHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(C(=O)OC)cc2)CC1=O 7929339 GCWANDSZGIGWSD-GOSISDBHSA-N 395.455 3.557 0 40 GHAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 8157130 YKNIIOPSPMYNCZ-QHCPKHFHSA-N 388.423 3.571 0 40 GHAB COc1cccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccccc3Cl)C2)c1 8210321 MKFUCHFNPHUVOQ-SFHVURJKSA-N 386.835 3.891 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1c(-n2cccc2)sc2c1CCSC2 8327772 VKMBJGBPSJRNRJ-UHFFFAOYSA-N 398.509 3.987 0 40 GHAB COc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccnc2)c1 9159573 MROWIDIKFHPDJJ-UHFFFAOYSA-N 385.423 3.779 0 40 GHAB CC1CCN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1 9305559 USJDCYDHWXMWRA-UHFFFAOYSA-N 393.439 3.803 0 40 GHAB biogenic Cc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 9306137 ZYEVEIBSMXWEQR-YRXWBPOGSA-N 394.515 3.594 0 40 GHAB C[C@H](NC(=O)CSc1ncnc2sccc12)c1ccc(-n2ccnc2)cc1 9753285 KKVKCKQWVTXQAQ-ZDUSSCGKSA-N 395.513 3.847 0 40 GHAB COc1ccc(C)cc1-c1csc(NC(=O)CNC(=O)c2ccccc2F)n1 10578883 DKTPKOIFVMZLLQ-UHFFFAOYSA-N 399.447 3.635 0 40 GHAB CCNC(=O)[C@@H](C)OC(=O)c1cc2sc(Nc3ccccc3)nc2s1 10712369 LAPQJKJNUUWZKZ-SNVBAGLBSA-N 375.475 3.783 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@@H]2c2ccccc2F)c(C)c1 11694864 QXTCRIZODONMLD-GDIGMMSISA-N 379.439 3.692 0 40 GHAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccnn3C)nc12 11695099 ADNGBSMJKUXXQP-UHFFFAOYSA-N 393.472 3.671 0 40 GHAB CN(C(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)c1ccccc1 12195653 DNNNZFBMZRUYAV-UHFFFAOYSA-N 378.881 3.547 0 40 GHAB O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1noc2c1CCCC2 12314602 BXFVFDQJHVSUNU-INIZCTEOSA-N 398.413 3.825 0 40 GHAB CC[C@@H]1CCCCN1CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 12568490 LKFDRYBQPWAZAE-QPPBQGQZSA-N 391.515 3.898 0 40 GHAB O=C(NCc1nc2ccccc2n1C[C@H](O)c1ccc(F)cc1)c1ccccc1 12749086 BBOKXQAGNWAQHM-NRFANRHFSA-N 389.430 3.839 0 40 GHAB COc1ccc2cc(COC(=O)[C@@H]3COc4ccccc4O3)c(Cl)nc2c1 12757333 SFCNKMXPLGHKRX-SFHVURJKSA-N 385.803 3.780 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 12791000 PAHAWRPEUKTURM-MRVPVSSYSA-N 385.121 3.679 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)Cc1ccc2c(c1)OCO2 12803665 NAENFARXAZPGBO-UHFFFAOYSA-N 381.407 3.629 0 40 GHAB COc1ccccc1CN(C)CC(=O)Nc1cc(C)nn1-c1ccccc1C 12807703 HIALGQXKGKGMHZ-UHFFFAOYSA-N 378.476 3.568 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1 12821552 KYZGHQZMSFIXSN-UHFFFAOYSA-N 399.922 3.615 0 40 GHAB O=C1CC[C@@]2(C(=O)OCc3csc(-c4ccc(Cl)cc4)n3)SCCN12 12927425 IZVLWSABWVNWBA-KRWDZBQOSA-N 394.905 3.572 0 40 GHAB Cc1sc(NC(=O)Cn2c(C)csc2=O)nc1-c1ccc(F)c(F)c1 12979086 ASITWZVYBAMMBZ-UHFFFAOYSA-N 381.429 3.567 0 40 GHAB CN(Cc1ccc(C(C)(C)C)cc1)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 14198013 KDSOIEDEDGEJKY-HSZRJFAPSA-N 397.494 3.980 0 40 GHAB Clc1cc2c(cc1CN1CCC(c3nnc(-c4cccnc4)o3)CC1)OCO2 19341456 VTOFQGNAVONLLY-UHFFFAOYSA-N 398.850 3.893 0 40 GHAB CC(C)n1c([C@@H]2CCCN(CC(=O)Nc3nccs3)C2)nc2ccccc21 19657757 UHPWKOHBRSUOOH-OAHLLOKOSA-N 383.521 3.892 0 40 GHAB CN(C)Cc1cc(C2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)[nH]n1 19708943 VWJLMEGDNZGUPD-UHFFFAOYSA-N 393.535 3.682 0 40 GHAB O=[N+]([O-])C1=NN(c2ccc(Cl)cc2)CN(CCc2ccc(Cl)cc2)C1 20457680 LGZHXUGHQPJATN-UHFFFAOYSA-N 379.247 3.906 0 40 GHAB CC(C)CNC(=O)c1ccc2c(c1)nc1n2CCN([C@H](C)c2ccccc2)C1 20734417 VQYKGMNDHMXFHA-QGZVFWFLSA-N 376.504 3.999 0 40 GHAB COc1ccc([C@H](NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)C(C)C)cc1 22058108 HUBUNCWGNGKNQD-LJQANCHMSA-N 399.516 3.597 0 40 GHAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1COc2ccc(Cl)cc2C1 22639976 IRIDNLYHKCAPTR-GOSISDBHSA-N 399.874 3.871 0 40 GHAB Cc1ccc(C)c(OC[C@@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 22793611 BPXFXCIBXWQDDA-NRFANRHFSA-N 388.939 3.514 0 40 GHAB C[C@@H](OC(=O)CCc1nc(-c2cccs2)no1)C(=O)NC1CCCCCC1 24207489 FQHHGLPCZGKXRD-CYBMUJFWSA-N 391.493 3.501 0 40 GHAB CNC(=O)c1cccc(CNC(=O)c2cccc(OCc3cccs3)c2)c1 24623789 ISOBFDDMPURAPB-UHFFFAOYSA-N 380.469 3.617 0 40 GHAB Cc1ccc(-n2c(Cc3ccccc3)nn(CN3CCOCC3)c2=S)c(C)c1 25357212 PEGRPWAMUFIAAP-UHFFFAOYSA-N 394.544 3.901 0 40 GHAB COc1ccc([C@H]2CCCN2CCS(=O)(=O)c2ccc(Cl)cc2)cc1 25415590 IOTKPGPOIDSXSI-LJQANCHMSA-N 379.909 3.959 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 26090977 XFPRCAZLRVXLQB-CQSZACIVSA-N 399.541 3.940 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 26120485 JVIDVFRJQDNTDU-OAHLLOKOSA-N 398.594 3.892 0 40 GHAB O=C(COC(=O)c1cnn(Cc2ccccc2Cl)c1)NC1CCCCCC1 26240443 BBTKRDUZWMCPSG-UHFFFAOYSA-N 389.883 3.581 0 40 GHAB Clc1ccc(-n2ncc3c2ncn2nc([C@@H]4CCCO4)nc32)cc1Cl 27795877 HZAXPPCSKQNWSE-ZDUSSCGKSA-N 375.219 3.622 0 40 GHAB COc1ccc(CCCNC(=O)CSc2ccc(OC)c(OC)c2)cc1 30863392 AESMTVYNVQKVTB-UHFFFAOYSA-N 375.490 3.554 0 40 GHAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(Cl)c2c(c1)OCCO2 31265149 JMBRRQMXUYJPQG-INIZCTEOSA-N 389.835 3.921 0 40 GHAB COc1cccc(-c2noc(CSCC(=O)N[C@@H]3CCCC[C@H]3C)n2)c1 32779080 CYYKOXLZAFPLJR-CZUORRHYSA-N 375.494 3.673 0 40 GHAB Clc1ccc(OCCNc2ccc(-n3cnnn3)cc2)c(Br)c1 32810882 JFDQMHAJKFGQBB-UHFFFAOYSA-N 394.660 3.569 0 40 GHAB CS(=O)(=O)Nc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1F 32909875 MWWQNXCBPMLPEG-UHFFFAOYSA-N 377.224 3.756 0 40 GHAB COc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 32932041 WFWXZZXOLFCSEC-MRXNPFEDSA-N 381.501 3.838 0 40 GHAB CSc1nc2n(n1)[C@@H](c1cccs1)[C@@H](C(=O)Nc1ccccc1)[C@H](C)N2 36701747 YGZONMMUUAUSDW-CQDKDKBSSA-N 385.518 3.720 0 40 GHAB CCN(CC)CCN(Cc1cccs1)C(=O)NCCc1ccc(F)cc1 40067712 CIMYKLHKOATVCJ-UHFFFAOYSA-N 377.529 3.983 0 40 GHAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40131538 SHZWRTRDWKFFQV-HUUCEWRRSA-N 388.899 3.541 0 40 GHAB CCC(CC)[C@@H](CNC(=O)Nc1cc(NC(C)=O)ccc1F)N1CCCC1 44077317 YQTCGERCYCAUGL-LJQANCHMSA-N 378.492 3.806 0 40 GHAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)O2 49067414 IKCMGTBANLMNNP-UHFFFAOYSA-N 375.428 3.512 0 40 GHAB in-vitro COc1ccc(CNC(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc1 50613757 CAPPVDSANIZFMD-GOSISDBHSA-N 384.505 3.865 0 40 GHAB Cc1cc(-n2nnc(C(=O)NCc3cccs3)c2C)ccc1Br 51317916 LQSMDEDVQDASGI-UHFFFAOYSA-N 391.294 3.638 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(N3CCNC3=O)cc2)cc1 54321190 QQJOUNTZEWJCLE-NRFANRHFSA-N 393.487 3.982 0 40 GHAB COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3ccc4c(c3)CCO4)nc2c1 54802373 JTKVHEMYTMYYKX-DHDCSXOGSA-N 382.803 3.794 0 40 GHAB CC[C@@H](NC(=O)c1cc2ccccc2n1C)c1ccccc1OCC(=O)N(C)C 55598991 WJIDXPSXXTWVHX-GOSISDBHSA-N 393.487 3.526 0 40 GHAB NC(=O)c1csc(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)c1 56116252 OWPLQRIVSNVYGJ-HNNXBMFYSA-N 393.306 3.881 0 40 GHAB O=C(CCOc1cccc(F)c1)NCCn1cc(-c2ccncc2)c(C2CC2)n1 57774578 ITAZJJPASMOVCU-UHFFFAOYSA-N 394.450 3.547 0 40 GHAB O=C1C[C@H](C(=O)N2CCC[C@@H]2Cc2ccccc2)CN1c1ccc(F)cc1F 58418969 ZUXXZZWFYDRQRV-FUHWJXTLSA-N 384.426 3.551 0 40 GHAB O=C(COc1cccc(Cl)c1)Nc1ccccc1C(=O)NCc1cccnc1 61239697 DXISXXXJXJOHKD-UHFFFAOYSA-N 395.846 3.683 0 40 GHAB CC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccc(Cl)cc1)N2 65298524 LGEABCXSHGWXSN-IBGZPJMESA-N 397.906 3.908 0 40 GHAB biogenic O=C(c1ccccn1)N1CCC[C@H](c2cncc(Oc3cccc(F)c3)n2)C1 72362258 JFMJYRWKFQRZEJ-HNNXBMFYSA-N 378.407 3.823 0 40 GHAB CC(C)=CCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O 89914113 QCUVSQKXPWBZCA-GOSISDBHSA-N 397.397 3.701 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cnc(-n2ccnc2C)nc1 90584073 FYLOZPRFBFZBEF-UHFFFAOYSA-N 376.445 3.655 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)COc2cccc(C(F)(F)F)n2)cc1 95417238 VMRPHLGVBTUTFM-UHFFFAOYSA-N 395.381 3.600 0 40 GHAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc(-n2ccnn2)cc1 95460933 QBDIIQPMINGMOS-SFHVURJKSA-N 379.468 3.756 0 40 GHAB CC(C)NC(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCCC1)c1ccccc12 96242117 WSQJMWOQCCIIQR-SFHVURJKSA-N 383.536 3.638 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 113966034 ZZXMVCHJECWBQH-INIZCTEOSA-N 392.496 3.558 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1cccc(Cl)c1 222532803 VMGZNXOJDFWHTG-CYBMUJFWSA-N 395.286 3.536 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(=O)O)c1 222798572 MEIMHXFRTIFNKU-RBUKOAKNSA-N 392.484 3.563 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 222945597 JXOOPMONMPNCNE-OAQYLSRUSA-N 384.495 3.743 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccccc1F 222962327 XCLJKJZDMDIPJQ-IBGZPJMESA-N 388.508 3.612 0 40 GHAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 223090442 XXAUHSOOVWQKJG-UXHICEINSA-N 384.549 3.835 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C 225420195 ADISXMHSPIMJEG-WOJBJXKFSA-N 396.531 3.748 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4ccccc4)ccc32)cc1 225846862 GIDZDKGRLQLUBJ-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257246727 IVOILMCMBLPASR-SFHVURJKSA-N 381.407 3.785 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccc(I)cc2F)c1 408619491 CKDAYDDUFSTDTQ-UHFFFAOYSA-N 385.176 3.756 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C(=O)[C@H]2C1 408676035 CPDMQLHHJRTHAR-OALUTQOASA-N 378.403 3.924 0 40 GHAB COc1ccc(-c2[nH]c(=Nc3ccccc3F)sc2CC(=O)O)cc1OC 408887091 MAKDZMBDBATCNK-UHFFFAOYSA-N 388.420 3.759 0 40 GHAB CCN1CCN(C[C@H](C)CNCc2cc(-c3ccccc3)ccc2OC)CC1 532300566 FMHYRGAWSFMJQL-HXUWFJFHSA-N 381.564 3.725 0 40 GHAB CC(C)(NC(=O)Cc1cc2ccccc2c(O)n1)c1cc(C(F)(F)F)on1 578964034 KDNRZGUNKHUDPZ-UHFFFAOYSA-N 379.338 3.541 0 40 GHAB COc1ccc2c(c1)OCCN(C(=O)c1cnn(-c3cccc(Cl)c3)c1)C2 585080577 ZCDXDZNAYXLXLF-UHFFFAOYSA-N 383.835 3.569 0 40 GHAB CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1(F)CC1)C2 585107465 WXAMWEGFGUQLDT-JOCHJYFZSA-N 382.483 3.668 0 40 GHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccc(Cl)s1 585147830 AQVAKOFZFKIOTG-CYBMUJFWSA-N 383.878 3.673 0 40 GHAB CC[C@H](CSc1ccccc1)NC(=O)N[C@@H]1CCCc2c1ccc(=O)n2C 650987123 OTBNNIKJRCLEBH-CRAIPNDOSA-N 385.533 3.633 0 40 GHAB C=CC(=O)Nc1cccc(C(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)c1 1640838147 DGBLIXXXGLRMQO-QGZVFWFLSA-N 388.826 3.817 0 40 GHAB FC(F)(F)c1ccnc(OC2CCN(Cc3csc(C4CC4)n3)CC2)n1 1776009906 YJEABRVOUKNYNS-UHFFFAOYSA-N 384.427 3.873 0 40 GHAB O=C(NC[C@H]1CCC2(CCN(Cc3cccnc3)CC2)CO1)OC1CCCC1 2056225139 DZTZKKUWKOSTLG-HXUWFJFHSA-N 387.524 3.512 0 40 GHAB CC(C)(C)OC(=O)N1CCC(Nc2ncc(C(F)(F)F)c(Cl)n2)CC1 2362803828 QJCMRHHCFHGLKS-UHFFFAOYSA-N 380.798 3.960 0 40 GHAB Cc1ccc2cc(CN(CCN(C)C)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 880597 LNPGJVZOEFYWPC-UHFFFAOYSA-N 394.544 3.597 0 40 GHAB COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)c1 908116 RMXLRJIDUXORBX-IBGZPJMESA-N 393.439 3.623 0 40 GHAB Cc1cc(OC(=O)CCCNC(=O)OC(C)(C)C)c2c(C)c(C)c(=O)oc2c1 2146768 BURNERUHURBLKB-UHFFFAOYSA-N 389.448 3.929 0 40 GHAB biogenic COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccccc2)c(C)c1)C(F)(F)F 2323076 BNBSPEARUPZNRY-KRWDZBQOSA-N 382.338 3.562 0 40 GHAB Cc1ccccc1-c1nc2s/c(=C\c3c(Cl)cccc3Cl)c(=O)n2n1 2403519 JPOFMLSHJIVMQL-DHDCSXOGSA-N 388.279 3.981 0 40 GHAB Cc1ccccc1NC(=O)CSCc1nc(N)nc(Nc2ccccc2C)n1 2617526 BCYDLVQGCNQEHP-UHFFFAOYSA-N 394.504 3.686 0 40 GHAB COc1ccc(CNC(=S)NNc2ncc(C(F)(F)F)cc2Cl)cc1 2629572 XLSOWBGVLMDNPG-UHFFFAOYSA-N 390.818 3.754 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N(C)C)n2[C@@H]2CCCC[C@H]2C)cc1 2664993 YCOAYQJTRVWECU-RHSMWYFYSA-N 388.537 3.885 0 40 GHAB COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1F 2683792 SIXJGQVNYIVYKB-FQEVSTJZSA-N 398.434 3.556 0 40 GHAB CC1CCN(C[C@@H](C)NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C2CC2)CC1 2782156 IEEZDAXKFHOJQQ-ZIAGYGMSSA-N 386.462 3.577 0 40 GHAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NCc1ccc(Cl)cc1 3248673 ZELCRAJWGPSIFH-UHFFFAOYSA-N 387.650 3.702 0 40 GHAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N(CCO)Cc1ccccc1 3306133 SMWRNASUQVRIGX-UHFFFAOYSA-N 398.466 3.569 0 40 GHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(Br)cc2)c1 3424040 QUGNDAABWOLXQR-BJMVGYQFSA-N 390.233 3.653 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1C 3543098 WDHGZMRJJQBETF-UHFFFAOYSA-N 396.443 3.933 0 40 GHAB CCCn1c(=O)c2ccccc2n2c(SCc3ccc(OC)c(F)c3)nnc12 3546338 UZYJQDMDYDYTQQ-UHFFFAOYSA-N 398.463 3.894 0 40 GHAB CCOc1ccccc1-n1nnnc1SCC(=O)c1cc(C)c(C)cc1C 3587945 FAJGOWUSTODBJR-UHFFFAOYSA-N 382.489 3.961 0 40 GHAB Cc1ccc2cc(CCNC(=O)COc3ccc(Cl)cc3)c(=O)[nH]c2c1C 4032934 PJMSVXNUAWSYFB-UHFFFAOYSA-N 384.863 3.536 0 40 GHAB CCN1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 4087045 MARSPTUYINHOPO-UHFFFAOYSA-N 385.533 3.775 0 40 GHAB Cc1sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c(C(N)=O)c1-c1ccccc1 4163813 ASHUMHUOECUMPQ-CLWVCHIJSA-N 398.484 3.508 0 40 GHAB Cc1ccc(-n2nnc3c(SCC(=O)Nc4ccccc4C)ncnc32)cc1 4166592 CKYGEJRGBXQNMD-UHFFFAOYSA-N 390.472 3.558 0 40 GHAB CC(=O)N[C@@H](CC(=O)OCc1cc(Cl)cc2c1OCOC2)c1ccccc1 4220043 XFXZZMWKVUGDED-SFHVURJKSA-N 389.835 3.517 0 40 GHAB COc1ccccc1-n1nnc(C(=O)Nc2ccccc2C(F)(F)F)c1C 4511614 TUSQVVGNFABFMD-UHFFFAOYSA-N 376.338 3.855 0 40 GHAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccccc2F)cc1 4625496 SOKCDVUAQMEESR-LJQANCHMSA-N 379.391 3.784 0 40 GHAB O=C(CSc1nc2ccc(Cl)cc2o1)N1CCN(c2ccccc2)CC1 4708934 VZUJSWXWFXURID-UHFFFAOYSA-N 387.892 3.922 0 40 GHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 4719500 ALDRXEWCEIDKPR-SFQUDFHCSA-N 382.441 3.760 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1OC 4741605 ABEXCDMRYMZJRL-FQEVSTJZSA-N 393.443 3.906 0 40 GHAB Cc1ccc(N2C[C@@H](NC(=O)Nc3cccc(Br)c3)CC2=O)cc1 5123518 MIYSPMXTYPUTIL-HNNXBMFYSA-N 388.265 3.685 0 40 GHAB CC(=O)c1c(C)nc(-c2sc3nc(-c4ccccc4)nc(N)c3c2C)nc1N 5242971 PBXVTCCZVUCICG-UHFFFAOYSA-N 390.472 3.799 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)CNc1cc(Cl)ccc1N1CCOCC1 5701547 ZXWKVHXQHNWUBL-HNNXBMFYSA-N 385.895 3.566 0 40 GHAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)c1 6570354 FGYZTJWRNQTBQD-LBPRGKRZSA-N 386.473 3.997 0 40 GHAB CC(C)Oc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@H](C(C)C)C2=O)cc1 6661964 XYPGSCOFUVSQEO-OAQYLSRUSA-N 395.455 3.743 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1Cl)S2 6811773 OIRDMVLQYLTCNO-DLBZAZTESA-N 399.907 3.892 0 40 GHAB CC(C)[C@@H](C)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 6907118 UPMFQMDPTRQHGI-CYBMUJFWSA-N 387.530 3.700 0 40 GHAB COC(=O)c1ccc([C@@H]2Nc3c(C(=O)OC)cccc3[C@@H]3OCCC[C@H]23)cc1 6950459 DBVDMJRCPPODCC-MOXGXCLJSA-N 381.428 3.894 0 40 GHAB C[C@H]1CN(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)C[C@H](C)O1 7035970 HJSUDDTUCLPKEU-GJZGRUSLSA-N 387.863 3.586 0 40 GHAB CCCn1nnnc1NCc1ccc(OCc2ccccc2Cl)c(OC)c1 7263386 AFMSTMWRAOMAPY-UHFFFAOYSA-N 387.871 3.936 0 40 GHAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)NCc1cccs1 8177119 NXWPBWDKKZOOOW-JTQLQIEISA-N 380.520 3.602 0 40 GHAB O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)Nc1cccnc1 8865255 CLGBMHKRSDWNLY-UHFFFAOYSA-N 391.452 3.508 0 40 GHAB CCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](c1ccccc1O)C3 9355688 YAGHPHUHDZTOFO-HNNXBMFYSA-N 384.439 3.972 0 40 GHAB CN(Cc1nc2ccccc2n1CCOc1ccccc1)C(=O)c1ccco1 11667142 ZJRVAITWGFHESW-UHFFFAOYSA-N 375.428 3.981 0 40 GHAB COc1ccc2c(c1)NC1(CCN(C(=O)c3cc(C)[nH]c3C)CC1)c1cccn1-2 12117300 GLVPXFPHRUGTIX-UHFFFAOYSA-N 390.487 3.988 0 40 GHAB Cc1cnc(-c2nc(C3CCN(C(=O)c4csc(C)c4C)CC3)no2)cn1 12187545 JJGHRSYHTFVCSP-UHFFFAOYSA-N 383.477 3.533 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3ccco3)cc2)cc1C 12604898 ZYGOOIZTKIBNBV-UHFFFAOYSA-N 398.484 3.969 0 40 GHAB CC(C)c1ccc([C@]2(C)NC(=O)N(C[C@H](O)c3ccc(Cl)cc3)C2=O)cc1 12764075 KCOLOXUYVMNRBU-RXVVDRJESA-N 386.879 3.964 0 40 GHAB CN(CC(=O)Nc1ccon1)Cc1ccc(OCc2ccc(Cl)cc2)cc1 12863747 VZNRRWDYXVZXTG-UHFFFAOYSA-N 385.851 3.978 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)NCc2nnc3ccccn23)cc1C 12880997 KWLUFMPCQHCESN-UHFFFAOYSA-N 384.439 3.507 0 40 GHAB CCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1OC 12882467 ATWJDYNUQZQJRG-UHFFFAOYSA-N 388.851 3.892 0 40 GHAB O=C(Nc1ccccc1)c1ccccc1OCC(=O)N1CCc2sccc2C1 12929434 KKRWJEVXAOGGIR-UHFFFAOYSA-N 392.480 3.964 0 40 GHAB CCC(=O)Nc1cccc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)c1 12990121 IKYGONUZROIXBN-UHFFFAOYSA-N 379.464 3.574 0 40 GHAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)on1 13226248 IBKLCIZAYPOALL-HNNXBMFYSA-N 392.459 3.655 0 40 GHAB O=C(c1ccccc1Cl)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 13658038 QOVVYBQATFFJBH-UHFFFAOYSA-N 396.853 3.899 0 40 GHAB O=C(NCCOc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 14109909 ZKRLHXBRLVCWBT-UHFFFAOYSA-N 393.409 3.512 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)CN[C@H](C)C12CC3CC(CC(C3)C1)C2 14197953 KHPRNBSQEKVXDC-HBDGIVRWSA-N 399.535 3.787 0 40 GHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)Cc2ccccc2F)CC1 15641954 YTLBXAXSXZFFTP-UHFFFAOYSA-N 395.400 3.778 0 40 GHAB O=C(Nc1cccc2ccccc12)c1nc(-n2cnnc2)ccc1Br 15867176 ZFZPMJXJVXDWBB-UHFFFAOYSA-N 394.232 3.830 0 40 GHAB CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1ccccc1Br 16562671 RQSBHTSIRPQKBG-UHFFFAOYSA-N 392.684 3.971 0 40 GHAB Cc1ccc(C(=O)N(Cc2cccc3ccccc23)[C@H]2CCS(=O)(=O)C2)cc1 16742220 RJBIXESPEJZZHX-NRFANRHFSA-N 393.508 3.978 0 40 GHAB COc1ccc(-c2cc(O)n3nc(SCc4ccccc4)nc3n2)cc1OC 18240892 ZUEAMPPZWVNTBY-UHFFFAOYSA-N 394.456 3.806 0 40 GHAB O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 19373451 CRNFKOFSBVCWMH-GOSISDBHSA-N 395.484 3.631 0 40 GHAB CCOc1ccc(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)cc1 19532889 OSNYMHWOTSUGLN-HXUWFJFHSA-N 376.460 3.777 0 40 GHAB COc1ccccc1C1(O)CCN(Cc2ccccc2OC[C@H]2CCCO2)CC1 19569273 PLIRRXOSIRCJET-HXUWFJFHSA-N 397.515 3.737 0 40 GHAB CCN(C(=O)c1cc(-c2ccccc2OC)[nH]n1)[C@@H]1CNC2(CCCCC2)C1 19703894 DWBJIJJBFWTSME-INIZCTEOSA-N 382.508 3.612 0 40 GHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N[C@@H]1CCCc2ccccc21 19937734 IEOCJMURUXOZLC-LJQANCHMSA-N 393.874 3.827 0 40 GHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OC 20457856 IIDRZHGIFYINOI-UHFFFAOYSA-N 396.487 3.901 0 40 GHAB COc1ccc([C@@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCC3)cc1OC 22407375 NJWXCTDDGUGMBQ-QHCPKHFHSA-N 381.496 3.581 0 40 GHAB COc1ccc(CC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1F 22487601 WDYSMMYYKHDNBK-UHFFFAOYSA-N 385.357 3.772 0 40 GHAB Cc1cc(C(=O)NCc2ccc(F)cc2)ccc1NS(=O)(=O)c1ccccc1 22523913 AAIIEQMQZOZGOY-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CCCOc1ccc(OCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 24992647 KCTPKXJDFFZSEP-UHFFFAOYSA-N 382.460 3.729 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1F 25005588 ODPHSIYOPAUBIT-UHFFFAOYSA-N 380.822 3.585 0 40 GHAB NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 25061258 WNZWYPHCBGNKPB-UHFFFAOYSA-N 396.450 3.950 0 40 GHAB CCOc1ccccc1C(=O)NCCCC(=O)N(C)c1nc2ccccc2s1 26966413 VXSJWXKWEUNBIZ-UHFFFAOYSA-N 397.500 3.868 0 40 GHAB CCn1nnc2cc(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)ccc21 27573269 YLZQGLPASGPJHA-LJQANCHMSA-N 397.548 3.716 0 40 GHAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 28295280 HZHALIXSPNDTQI-MOPGFXCFSA-N 386.511 3.901 0 40 GHAB Cc1ccc(Nc2nnc(SCc3ccccc3Cl)n(N)c2=O)cc1C 28535569 ZQCBBJKCRDEJMO-UHFFFAOYSA-N 387.896 3.658 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3F)cc2Cl)cc1 32610003 RKDNNCIRHYRMQI-UHFFFAOYSA-N 395.843 3.533 0 40 GHAB O=C([C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2)c2ccccc2O1)N1CCCCC1 32772520 FRKLUQRUGJMPKC-BGVYSJOJSA-N 394.446 3.646 0 40 GHAB O=C(CSCCCCN1C(=O)c2ccccc2C1=O)Nc1cccc(F)c1 32778853 XLUIVMIVMPFLAX-UHFFFAOYSA-N 386.448 3.574 0 40 GHAB CN(C)[C@H](CNc1cc(C(=O)NC2CC2)c2ccccc2n1)Cc1ccccc1 32837531 SEQJFURWUWCCPO-IBGZPJMESA-N 388.515 3.712 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)N(C)Cc2ccc(C)cc2C)c1 32909436 HJPZRGKJVGDUJC-UHFFFAOYSA-N 384.432 3.541 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4ccco4)cs3)CC2=O)cc1F 32931481 VMJHKAGSWRAFMV-LBPRGKRZSA-N 385.420 3.842 0 40 GHAB CC(C)Cc1ccc(S(=O)(=O)N(C)Cc2nn(C)c(Cl)c2Cl)cc1 36615344 URQNHECWKFHSEF-UHFFFAOYSA-N 390.336 3.746 0 40 GHAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)/C=C/c1ccccc1OC(F)F 40069817 ZFPWYRDEJNFQMM-DRWRZZHCSA-N 386.398 3.696 0 40 GHAB O=C(c1ccoc1)N1CCC(NC(=O)C2(c3ccccc3F)CCCC2)CC1 40080044 AYFQLIMYCICVDT-UHFFFAOYSA-N 384.451 3.652 0 40 GHAB Cc1csc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)n1 40266228 ITSDJLAIAXVNCP-UHFFFAOYSA-N 394.547 3.745 0 40 GHAB C[C@@H](NC(=O)NCCc1nnc2n1CCCCC2)c1ccc(C(F)(F)F)cc1 45867417 PUJOUNOLRCNGPU-CYBMUJFWSA-N 395.429 3.626 0 40 GHAB Cc1sc2ncnc(SCC(=O)N3CCO[C@H]4CCCC[C@H]43)c2c1C 46492027 CXPWOFUBOSSNMY-KGLIPLIRSA-N 377.535 3.570 0 40 GHAB COCCN(Cc1ccccn1)C(=O)Nc1cccnc1Oc1ccccc1 48342291 NMEIAZCVRHWNRF-UHFFFAOYSA-N 378.432 3.949 0 40 GHAB Cc1ccc2c(Nc3ccc(C)c(F)c3)c(C(=O)N3CCOCC3)cnc2n1 49004820 BZOOQRBMTTYHME-UHFFFAOYSA-N 380.423 3.602 0 40 GHAB C[C@@H]1CN(c2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@@H](C)O1 55680453 HEWZYHVNASYFBV-ZIAGYGMSSA-N 397.500 3.597 0 40 GHAB CCn1cc(-c2nc(-c3cc(OC)cc(OC)c3)no2)c(=O)c2cc(F)ccc21 57354801 DCDPDRWNGOAKAM-UHFFFAOYSA-N 395.390 3.895 0 40 GHAB CC(C)N(C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)C1CCCC1 57748856 CAFCAJLNSZDNAU-QHCPKHFHSA-N 397.519 3.555 0 40 GHAB CCOC(=O)c1sc2[nH]c([C@@H](C)NC3CCCCCC3)nc(=O)c2c1C 58158067 QDPZHAJCOKJCDF-GFCCVEGCSA-N 377.510 3.843 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 64476971 ATOTZOGSBXUAME-CYBMUJFWSA-N 378.519 3.738 0 40 GHAB O=C1COc2cc(C(=O)NCC3(c4ccc(Cl)cc4)CCCC3)ccc2N1 65767442 JKFZKXIRGWQBOL-UHFFFAOYSA-N 384.863 3.913 0 40 GHAB N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 72227278 RNIIVAGDINZTNI-UONOGXRCSA-N 396.082 3.627 0 40 GHAB CO[C@@H](CNC(=O)c1ccccc1I)c1ccc(F)cc1 72305424 CGPKNOAUWNLGTN-HNNXBMFYSA-N 399.203 3.548 0 40 GHAB COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)Nc1cccc2cccnc12 77200055 QJXVVCFKQJDPEY-LJQANCHMSA-N 379.391 3.678 0 40 GHAB O=C(CN(CCO)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 78239671 AHPQWCGENOBVTL-UHFFFAOYSA-N 376.456 3.703 0 40 GHAB Cc1cc(C)c(C)c(S[C@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)c1C 84075080 YYTJOXFHFKKVNJ-MSOLQXFVSA-N 376.566 3.761 0 40 GHAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1 84519432 UKONFXGGPZPCST-IBGZPJMESA-N 389.952 3.539 0 40 GHAB COC(=O)c1nc(NC(=O)C2(c3ccccc3)CCOCC2)sc1C(C)C 85875075 HASAUYRJYYDJDF-UHFFFAOYSA-N 388.489 3.740 0 40 GHAB biogenic Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@@H]1CCc2nnc(C)n2C1 89562746 UYMPOQJMAMLZCJ-XHDPSFHLSA-N 399.495 3.597 0 40 GHAB Cc1ccccc1CCC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 89689319 PMHJIHGRQJBCPZ-QGZVFWFLSA-N 377.893 3.568 0 40 GHAB Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1cc(-n2ccnc2)ccn1 95468022 OTFXYIVIPDKGMJ-HXUWFJFHSA-N 387.443 3.532 0 40 GHAB O=C(O)[C@@H]1c2ccc(Br)cc2CCN1C(=O)OCc1ccccc1 95635272 BMJIKVAZAMJUEC-INIZCTEOSA-N 390.233 3.770 0 40 GHAB in-vitro CCOC(=O)[C@]12CCCN(Cc3cccs3)C[C@H]1CN(Cc1ccoc1)C2 96056027 TVROTAJGQQKFOO-RXVVDRJESA-N 388.533 3.618 0 40 GHAB CCCCOc1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1OC 96193571 XNCBPYUPUDFPID-UHFFFAOYSA-N 386.452 3.529 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2ccc(C)s2)CC1 100750142 RKZZIWIDGKNLSH-FUHIMQAGSA-N 385.533 3.865 0 40 GHAB Cn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2ccc3ccccc3c21 100819336 UIHYXZVAMFCLEL-NFFVOIMASA-N 376.437 3.660 0 40 GHAB CSc1ccc([C@@H]2N=C(NC3CCCCC3)Nc3nc(C)cc(=O)n32)cc1 101983243 MCEIPFGBHYSEBU-GOSISDBHSA-N 383.521 3.524 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2cccn2-c2ccccc2)C1=O)N1CCCCC1 108270825 PHMLFQUXGLTNFP-JXAWBTAJSA-N 395.484 3.526 0 40 GHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113970616 MLSJAZSHRCGWSD-NRFANRHFSA-N 381.520 3.851 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3ccc(N4CCCC4=O)cc3)s2)cc1 136336110 GLPCNHLLSGFPLH-UHFFFAOYSA-N 394.456 3.593 0 40 GHAB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)Nc1ccccc1 138511762 NZTPHFUZRVXKBV-PZBISTMVSA-N 377.440 3.714 0 40 GHAB O=C(Nc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)co1)c1ccncc1 211072379 SPRIXXIAZFPFQB-UHFFFAOYSA-N 376.294 3.593 0 40 GHAB CCc1nnc(S/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C(=O)O)o1 213413241 RYPFHDMKJWTADK-ZROIWOOFSA-N 386.385 3.808 0 40 GHAB Cc1ccc(N(CC(=O)N(C)C2CCCC2)S(=O)(=O)c2ccccc2)cc1 216436749 PZOVZCDPWJJBGD-UHFFFAOYSA-N 386.517 3.591 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1C 219286735 VGMVVMXWYKVZAN-CYBMUJFWSA-N 380.897 3.819 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219712707 PIJOAPHDGJFVBC-UHFFFAOYSA-N 380.897 3.688 0 40 GHAB COc1cc(OC)c([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222563128 CWWOLTCZDYNEBW-NXXSPTCGSA-N 385.489 3.697 0 40 GHAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 222731652 MTINSCUTTFZPCN-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 223537108 FHUCPCBBNIBICC-SFHVURJKSA-N 384.545 3.863 0 40 GHAB COc1cccc(OCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 224334229 JZNDVOWDHJLFQS-GOSISDBHSA-N 382.504 3.736 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 224624920 YWVOMRIUARQRIY-JOCHJYFZSA-N 380.532 3.832 0 40 GHAB CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccs1 225126447 HOJKFBUOOVXPMD-UHFFFAOYSA-N 393.408 3.525 0 40 GHAB CC(C)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 225200331 PICVSKVBPVULHT-CYBMUJFWSA-N 380.897 3.915 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1Cl 225410240 QVEOPUGELCUXRS-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225470306 PGTGCJQJFHFPTH-SFHVURJKSA-N 382.504 3.570 0 40 GHAB Cc1ccc(-c2nnsc2C(=O)N2CCN(c3ccccc3F)CC2)cc1 225775644 AWEGPWQSOAWBFR-UHFFFAOYSA-N 382.464 3.615 0 40 GHAB Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)nc(O)n1 257245734 IQWRWELAIMOGMP-GOSISDBHSA-N 396.422 3.576 0 40 GHAB Fc1ccc(CN2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cc1 306131230 JYWSTFLTRXLEDJ-OAQYLSRUSA-N 389.434 3.504 0 40 GHAB Cc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4cccs4)n23)s1 306141963 WLINTYYZJGBSFN-UHFFFAOYSA-N 399.589 3.813 0 40 GHAB S=C(NCCN1CCOCC1)c1ccccc1OCc1ccc(Cl)cc1 408574340 LXRNCVVWOIQEIS-UHFFFAOYSA-N 390.936 3.516 0 40 GHAB CCCOc1cccc(C(=O)NC(=S)Nc2c(C)ccc3nsnc23)c1 408576914 YUPRGVSOUPQRCU-UHFFFAOYSA-N 386.502 3.915 0 40 GHAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)cc3)C2=O)c(C)c1 409373254 GEOFHQZHXVORFM-LICLKQGHSA-N 396.468 3.992 0 40 GHAB Cc1ccnn1-c1ccccc1NC(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F 654037861 ZNQWMKIMUPXWSJ-CZUORRHYSA-N 382.386 3.802 0 40 GHAB NC(=O)c1cc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)ccc1F 684892201 ZPOLLIOVARHFHK-UHFFFAOYSA-N 376.431 3.965 0 40 GHAB Cc1cccc(Oc2ccc(C(=O)NC3(C(=O)NCC4CC4)CCCC3)nc2)c1 1524005693 YQCMICOMMWVNIT-UHFFFAOYSA-N 393.487 3.751 0 40 GHAB COc1ccc(CCNC(=O)NC[C@@H](O)c2cc(-c3ccco3)cs2)cc1 1775969046 UXWFONUFIXKPBF-QGZVFWFLSA-N 386.473 3.592 0 40 GHAB Cc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)cc1 953558 DDTGJTCEKLOLRD-QGZVFWFLSA-N 377.462 3.565 0 40 GHAB CCOC(=O)[C@H](C)Oc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 1237896 CSNDLSYSLWOUGK-ZDUSSCGKSA-N 398.411 3.808 0 40 GHAB biogenic COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(OC)c4)no3)C2)cc1 1362504 VTSIQSCQFZOGQC-QGZVFWFLSA-N 393.443 3.774 0 40 GHAB CCC(=O)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2n2nnnc12 1367405 YCLTUKYXLXAHTI-UHFFFAOYSA-N 379.489 3.895 0 40 GHAB CC1(C)Cc2c(sc3ncnc(NNC(=S)Nc4ccccc4)c23)CO1 2346934 YGWDWWQKPQJRCF-UHFFFAOYSA-N 385.518 3.856 0 40 GHAB CCCOc1nnc(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c2ccccc12 2396782 RHYORFGVIVJPBB-UHFFFAOYSA-N 385.489 3.644 0 40 GHAB CN1CCC(N(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 3217362 RIROJEWSBQHQIK-UHFFFAOYSA-N 380.517 3.767 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)OCC(=O)N1CCCc2ccccc21 3241899 YQQDVVHKGIMYQV-UHFFFAOYSA-N 377.362 3.771 0 40 GHAB Cc1nc2cc(C(=O)OCC(=O)N3CCCC[C@@H]3C)ccc2n1-c1ccccc1 3475125 QLVOZGKMMYLUGD-INIZCTEOSA-N 391.471 3.892 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)o2)cc1 3475146 OGNWLGAZGBIISO-UHFFFAOYSA-N 389.458 3.706 0 40 GHAB COc1ccccc1-c1ccc2nnc(SCC(=O)c3ccc(F)cc3)n2n1 4376619 KZIIIYVESOBPIZ-UHFFFAOYSA-N 394.431 3.914 0 40 GHAB CCN(C(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)c1ccccc1 4557587 NQHBZRVTDRYOET-ALFLXDJESA-N 386.451 3.665 0 40 GHAB COc1ccc(NC2=N[C@@H](c3cccc(Cl)c3)n3c(nc(C)cc3=O)N2)cc1 4736660 SLKAYMYYRRTSQE-GOSISDBHSA-N 395.850 3.654 0 40 GHAB Cc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCCC2)cc1 4869743 UARLCNGEWBPLCO-QNGOZBTKSA-N 387.483 3.880 0 40 GHAB CC(=O)N[C@@H]1C(=O)N(CCOc2ccc(Cl)cc2Cl)c2c(C)cccc21 4993298 YKIMNJJDCXJXTL-KRWDZBQOSA-N 393.270 3.905 0 40 GHAB COCCNc1nnc(SCc2cc(=O)oc3cc(C)c(Cl)cc23)s1 5078520 HABKHXWRFYHFFR-UHFFFAOYSA-N 397.909 3.957 0 40 GHAB Cc1c(CC(=O)NC[C@@H]2CCCO2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 5345401 GQLMIRHYTOLVCE-AWEZNQCLSA-N 397.471 3.983 0 40 GHAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C(=O)C3CC3)CC2)o1 5477653 MWOQGAKRHXHZDB-LJQANCHMSA-N 391.471 3.860 0 40 GHAB Cc1cccc(C)c1-n1nnnc1S[C@@H](C(=O)N1CCCC1)c1ccccc1 5564913 LPFMYMWGNWGHFA-LJQANCHMSA-N 393.516 3.735 0 40 GHAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 6082060 OOHAEXSRRGMITG-LSDHHAIUSA-N 394.500 3.734 0 40 GHAB CC1CCN(C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)CC1 6202734 INHKBBDDUXVSCM-UHFFFAOYSA-N 396.310 3.850 0 40 GHAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1cccs1 6251558 FEQAOVYGXCMJAR-UHFFFAOYSA-N 375.258 3.880 0 40 GHAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)COc2ccccc2)c1 6386510 PTUMUNTZHJMEGE-UHFFFAOYSA-N 385.489 3.707 0 40 GHAB CCCCCC(=O)N(Cc1ccc(OCC(N)=O)c(OC)c1)C1CCCCC1 6594947 CWOGSZVEPWVRQJ-UHFFFAOYSA-N 390.524 3.801 0 40 GHAB Cc1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)O)[nH]1 6611414 QMYLRCWUDKCDTK-NVNXTCNLSA-N 386.389 3.808 0 40 GHAB COCCCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccccc1 7002477 ZOSSXOBGQVUKRU-UHFFFAOYSA-N 386.473 3.931 0 40 GHAB Cc1nnc(SCC(=O)N(Cc2ccccc2F)C2CC2)n1-c1ccccc1 7229740 BFQWBTDPLGTKTJ-UHFFFAOYSA-N 396.491 3.998 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1COc2ccc(Cl)cc2C1 7831384 OWTMQWFYXIBBAM-KRWDZBQOSA-N 381.863 3.735 0 40 GHAB CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)NCc1ccccc1 8295689 WHJFTTYBZOFTQE-ROUUACIJSA-N 399.922 3.930 0 40 GHAB biogenic,in-vitro Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)cc2)cc1 8417499 JFOXMFIWNQDFSY-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB CCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 8477111 IHXJRKLJFPQAQW-UHFFFAOYSA-N 399.727 3.647 0 40 GHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)COc2ccc3ccccc3c2)c1 8724830 PFRXVZRHFAMKQJ-UHFFFAOYSA-N 389.455 3.556 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc(-n2cnnn2)c1C 9377758 WYFXVEQVBHISMB-UHFFFAOYSA-N 394.435 3.794 0 40 GHAB C[C@H](CCc1ccco1)NC(=O)C1CCN(c2nc3ccccc3n2C)CC1 12116352 IFPHTZYOPUETPA-MRXNPFEDSA-N 380.492 3.520 0 40 GHAB O=C(CSc1nccc(-c2ccc3c(c2)OCO3)n1)c1ccc2c(c1)OCO2 12249816 XIDMHFRPDRUWIP-UHFFFAOYSA-N 394.408 3.576 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)c3sc(NC(=O)C4CC4)cc3C)ccc21 12754023 MJXRNLDGONDXKE-UHFFFAOYSA-N 383.473 3.566 0 40 GHAB CCc1sc(C(=O)NCC(=O)NCCCn2ccc3ccccc32)cc1C 12780067 UGXZWHJVHJQEQG-UHFFFAOYSA-N 383.517 3.510 0 40 GHAB CS(=O)(=O)c1ccc2nc(NC(=O)CCCc3cccs3)sc2c1 12803080 YHDAEZIJCXPXIH-UHFFFAOYSA-N 380.516 3.723 0 40 GHAB Cc1ccc(Nc2nc(N3C[C@H](C)O[C@H](C)C3)nc3nccnc23)cc1Cl 13010924 NYIOCLKJZHXPOX-BETUJISGSA-N 384.871 3.739 0 40 GHAB COc1cc(/C=C\C(=O)NCc2ccc3[nH]c(C)cc3c2)cc(OC)c1OC 13572359 AKFCFHULPSXOJR-VURMDHGXSA-N 380.444 3.832 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 14398379 NWMXQMQCOXUNSK-BWAMLYQTSA-N 394.515 3.710 0 40 GHAB CCc1ccc(N2C(=O)[C@@H]3C[C@@H]4c5ccccc5N[C@H]4[C@@H](C)N3C2=S)cc1 17724640 FDFLEPBXEZVLTQ-PTLICHBZSA-N 377.513 3.921 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)cc2NC1=O 18047637 WXVHCTUONINNPE-KBPBESRZSA-N 392.484 3.796 0 40 GHAB Cc1ccc(N(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C(=O)c2ccco2)cc1Cl 18148970 ROJDJARCQWSJAS-IYBDPMFKSA-N 398.846 3.797 0 40 GHAB COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4ccc(F)cc4)C[C@H]23)c1 19019419 FQEUPMDSPJRVAK-DNVJHFABSA-N 382.479 3.671 0 40 GHAB COc1ccc(CN[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1 19285169 QZSFTCPRDYWUQV-OAQYLSRUSA-N 388.471 3.642 0 40 GHAB Nc1cc2ccccc2nc1C1CCN(C(=O)[C@H](O)c2ccc(Cl)cc2)CC1 19376223 CQNUGYNSNKBFNH-OAQYLSRUSA-N 395.890 3.910 0 40 GHAB COc1ccc([C@H]2CN(C)[C@@H]3CCCN(C(=O)c4cc(C(C)C)no4)[C@H]23)cc1 19452934 IVJMMSJUYNOKOY-YFVAEKQCSA-N 383.492 3.509 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Cn2cc(Cl)cn2)c(OC)c1 19457318 XMSQPCKFFXAHMM-GUYCJALGSA-N 377.872 3.554 0 40 GHAB C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)COc1ccccc1 19574248 BXBMWEDKAVRPPP-ZDUSSCGKSA-N 377.366 3.639 0 40 GHAB Cc1noc2nc(C(C)C)cc(C(=O)/N=c3\[nH]cc(-c4ccc(F)cc4)n3C)c12 19714735 XCFJZWTXKCXZOW-UHFFFAOYSA-N 393.422 3.868 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(OC)c1)n1nc(-c2ccc(C)cc2)ccc1=O 20095369 WFKZYPPWTMEBKN-FQEVSTJZSA-N 377.444 3.817 0 40 GHAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(CC(=O)O)cc1 20144798 ZGAFWQAWMGWOCT-UHFFFAOYSA-N 392.249 3.872 0 40 GHAB CCCN1CCc2c(sc3ncn4nc(COc5ccccc5)nc4c23)C1 20392277 APQUPEOTRLTETM-UHFFFAOYSA-N 379.489 3.686 0 40 GHAB Cc1ccc(-n2ncc3c(N4CCN(c5ccccc5F)CC4)ncnc32)cc1 20662170 YPYYJPQKUCVFJJ-UHFFFAOYSA-N 388.450 3.590 0 40 GHAB CC(C)CNC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 20721747 PRWDEPKBUDGPOB-UHFFFAOYSA-N 380.488 3.759 0 40 GHAB COc1ccc(C2(C(=O)NCc3ccc(Cl)cc3)CCOCC2)cc1OC 20725944 GOECNRZUIIPGFI-UHFFFAOYSA-N 389.879 3.722 0 40 GHAB CCC[C@@H](NC(=O)[C@@H](C)Sc1nnc(C(F)(F)F)n1C)c1ccccc1 21335186 BGYVHXJYYXLNAZ-DGCLKSJQSA-N 386.443 3.972 0 40 GHAB CN1CCN([C@@H](CNC(=O)c2cccc3ccccc23)c2ccsc2)CC1 22765608 OFHCTBQVYFQLLA-NRFANRHFSA-N 379.529 3.620 0 40 GHAB COc1ccc(-c2csc(NC(=O)CN3C[C@@H](C)C[C@@H](C)C3)n2)c(OC)c1 23054861 ZUAVLIJIFIXPQA-OKILXGFUSA-N 389.521 3.744 0 40 GHAB Cc1cccc(OCCCNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1 24240794 CHAUIMDHZWETHH-UHFFFAOYSA-N 389.879 3.938 0 40 GHAB O=S(=O)(NCc1cccc(CN2CCCC2)c1)c1ccc2ccccc2c1 26843013 QNGSMYAWTPGDQG-UHFFFAOYSA-N 380.513 3.914 0 40 GHAB O=C(c1csc(-c2cccs2)n1)N1CCC[C@H]1c1nnc2ccccn12 29076937 QDFAGXLQOXPBGN-ZDUSSCGKSA-N 381.486 3.892 0 40 GHAB CCOc1ccc(CN(C)C(=O)CCc2cnn(-c3ccccc3)c2)cc1OC 31199800 ZJINMZCIGCDWGQ-UHFFFAOYSA-N 393.487 3.871 0 40 GHAB CC1CCN(S(=O)(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)CC1 32755423 USXGSYSVXWAYFE-HXUWFJFHSA-N 397.544 3.866 0 40 GHAB Cc1cnc2c(S(=O)(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)cccc2c1 32776775 ZJEFEKUENLNETC-IBGZPJMESA-N 398.484 3.902 0 40 GHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)n2)s1 32795840 UULLXMMMIFFHNR-CYBMUJFWSA-N 385.518 3.825 0 40 GHAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCCN(Cc2ccccc2)CC1 32848484 UALADXLKBGLXLA-OUKQBFOZSA-N 386.499 3.620 0 40 GHAB O=C(NCc1ccc(CN2CCOCC2)cc1)C1(c2ccc(Cl)cc2)CCC1 32902629 HPZXMEVXGNRJNH-UHFFFAOYSA-N 398.934 3.910 0 40 GHAB Cc1nc2ccc(NC(=O)[C@@H]3CCCN(c4ccc(Cl)nn4)C3)cc2s1 32913044 RBYSOOCTIPDSHW-GFCCVEGCSA-N 387.896 3.903 0 40 GHAB COc1ccc(C)cc1NC(=O)CSCc1cc(=O)c2cccc(OC)c2[nH]1 33064259 CICUIXOPKFNWNL-UHFFFAOYSA-N 398.484 3.726 0 40 GHAB CCOC(=O)C1=C(NC(=O)c2ccc(SC)cc2)SC2=C(CCC2)N1 35682650 ITNGIVXXLGLSIV-UHFFFAOYSA-N 376.503 3.602 0 40 GHAB Cc1cccc(CCC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1 40074118 KUZUKMRHSFZEDG-NRFANRHFSA-N 386.923 3.771 0 40 GHAB Cc1ccsc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 40122385 AVQNWWIEGPWFQF-UHFFFAOYSA-N 383.300 3.962 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 42213589 MGLOWKDLXWCULN-UHFFFAOYSA-N 382.869 3.587 0 40 GHAB CC(C)n1ncc2cc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cnc21 48278481 YYOXGYZCGYRCSA-IBGZPJMESA-N 394.479 3.620 0 40 GHAB CCS(=O)(=O)Nc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1C 48369147 YQDWTSYENRBNDS-UHFFFAOYSA-N 384.860 3.730 0 40 GHAB CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 48801413 XBZLYBXUQQSWAI-HNNXBMFYSA-N 389.455 3.923 0 40 GHAB Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 55149381 HXLBJTPZTCMPMA-QZTJIDSGSA-N 378.428 3.853 0 40 GHAB C[C@@H](C(=O)NCc1cccs1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57763724 FOLCFUSRZGEHAY-AWEZNQCLSA-N 397.466 3.594 0 40 GHAB Cc1ccnc(NC(=O)C2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)c1 58225392 CIGICZFZESGPCB-UHFFFAOYSA-N 377.488 3.689 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@@H]1c1ccc(F)cc1 59227887 OSHYPGVPVIBFLY-QGZVFWFLSA-N 384.798 3.670 0 40 GHAB CCCCc1c(C)nc2nc(SCC(=O)N[C@@H]3CCCC[C@H]3C)nn2c1C 59419841 ZOYCMQZTZOBIBG-CXAGYDPISA-N 389.569 3.871 0 40 GHAB N=C1NC(=S)[C@H](C(N)=O)C2(CCCCC2)[C@H]1c1nc(-c2ccccc2)cs1 62830015 CKUYWQJPNXSXEX-CABCVRRESA-N 398.557 3.854 0 40 GHAB Cc1cccc(NC(=O)c2nnn(CC(=O)Nc3c(C)cccc3C)c2C)c1C 67323635 MEHBKLZJNNWBGQ-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl 69653220 BAVGWUFLOHILNX-SMDDNHRTSA-N 389.348 3.899 0 40 GHAB CC(=O)NCc1ccc(C(=O)N2CC(OCc3cccc4ccccc34)C2)s1 72306735 ZLXQNBFLTVOFFG-UHFFFAOYSA-N 394.496 3.579 0 40 GHAB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(CC[C@@H](C)c2ccccc2)C3)CC1 72389556 YWQDDJSFYAVFQZ-GOSISDBHSA-N 380.536 3.558 0 40 GHAB CC(C)Nc1cccc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)c1 79072557 ZITMMHBXJIUDGP-FPOVZHCZSA-N 399.922 3.996 0 40 GHAB Cc1c(NCc2cn(-c3ccc(Cl)cc3)nn2)cccc1N1CCOC1=O 79099540 YEUZRSOIPYMSDT-UHFFFAOYSA-N 383.839 3.798 0 40 GHAB CN(C)CCN(c1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 89314310 BDCSLPLXDWJRCW-UHFFFAOYSA-N 387.332 3.891 0 40 GHAB CC(C)c1sc(NC(=O)CCC(=O)NC2CCCCCC2)nc1C(=O)O 95479673 OMJGETWECGKJKR-UHFFFAOYSA-N 381.498 3.522 0 40 GHAB CCc1nncn1CCNc1ncnc2scc(-c3ccc(OC)cc3)c12 95962021 DOZZEFWXXDLPMP-UHFFFAOYSA-N 380.477 3.633 0 40 GHAB Cc1cccc(C)c1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C1=O 96900846 ISIBQCTYOALSME-FCEUIQTBSA-N 399.450 3.750 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 100196728 DJMRHKGWKAZENI-YSGRDPCXSA-N 388.467 3.958 0 40 GHAB CCOc1cc(CN2Cc3ccccc3C[C@H]2C(=O)NC2CCCC2)ccc1O 199426616 KONNPPJRDHAYNK-NRFANRHFSA-N 394.515 3.777 0 40 GHAB O=C(NCC(=O)N1CCS[C@H](c2ccccc2Cl)CC1)c1ccccc1 206990671 JFZIVCWZRAUVGS-SFHVURJKSA-N 388.920 3.777 0 40 GHAB COc1cccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 219306817 NQKPNUVYNOSAKK-LIRRHRJNSA-N 385.460 3.890 0 40 GHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 223276647 IEZTWTINSQGLHP-RTWAWAEBSA-N 397.592 3.922 0 40 GHAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1C[C@@H]1CCCO1 223294642 YYYNEWBYJBSKPU-IUIKQTSFSA-N 379.938 3.948 0 40 GHAB CCN(CC)C(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224328345 PKMDRRTZUUQNBY-UHFFFAOYSA-N 380.897 3.647 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 224579234 UFJQTDRMXQZOEX-JOCHJYFZSA-N 396.531 3.880 0 40 GHAB CCOc1ccc(S(=O)(=O)N(CC)c2cc(C(=O)OC)ccc2Cl)cc1 224603985 PUMUCNZJQLGPIK-UHFFFAOYSA-N 397.880 3.741 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1 224658108 GOTHZCRSGNXLIB-GOSISDBHSA-N 382.504 3.571 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1C 225457286 FCWJHAIWQBNKHX-PMACEKPBSA-N 380.532 3.912 0 40 GHAB COc1cccc2cc(C(=O)NCc3ccnc(-c4cccs4)c3)c(=O)oc12 225652242 FEHQHZZELUYUJJ-UHFFFAOYSA-N 392.436 3.855 0 40 GHAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1 225689341 LPTWUHFKDVOUKR-JOCHJYFZSA-N 392.540 3.568 0 40 GHAB COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 225765921 CRPQCMNEICXEAM-UHFFFAOYSA-N 389.477 3.514 0 40 GHAB Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 243322014 LNVQVLPPSIVRLX-CQSZACIVSA-N 377.271 3.971 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C[C@H]4CCOC4)C3)cc2n1 248187797 ILWKHFNFALMWTL-ZIAGYGMSSA-N 382.430 3.697 0 40 GHAB CC(C)N1CCC(Cc2cc(N3C(=O)OC[C@H]3Cc3ccccc3)ncn2)CC1 257220634 DLNWJLDKYCRJQO-OAQYLSRUSA-N 394.519 3.707 0 40 GHAB CC1(c2ncc(Cc3ccccc3F)o2)CCN(C(=O)CN2CCCCC2)CC1 257272717 NDNJEVSSXLORIF-UHFFFAOYSA-N 399.510 3.771 0 40 GHAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)[nH]n1 257284230 PBUXOSXRSYECEW-FIKGOQFSSA-N 383.540 3.767 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C(=O)NCC(C)C 408586607 PGQGWNAXDHZVDG-UHFFFAOYSA-N 386.517 3.522 0 40 GHAB Cc1cc(C)cc(OCC(=O)N2N=C(CCC(C)C)C[C@]2(O)C(F)(F)F)c1 408956573 RHSKNZLMUGKEIK-SFHVURJKSA-N 386.414 3.958 0 40 GHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(OC)cc3)o2)cc1 409345346 LJMFGLZFSLWMGP-UHFFFAOYSA-N 399.472 3.950 0 40 GHAB CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCc4nc[nH]c4C3)c12 552536468 GNNHTWZJWIEQLE-ZDUSSCGKSA-N 393.491 3.699 0 40 GHAB O=C(Cc1cc2ccccc2c(O)n1)N[C@@H]1c2ccccc2CC12CCOCC2 562735484 WTYKVWVPQQNDEV-JOCHJYFZSA-N 388.467 3.693 0 40 GHAB O=C(NC[C@@H](c1cccs1)n1cccn1)c1cc(Br)cs1 575614573 XAVZUAWCADIZNP-NSHDSACASA-N 382.308 3.788 0 40 GHAB CCc1c(NC(=O)N(C)Cc2nnc(C)s2)cnn1-c1ccc(Cl)cc1 585101438 PFJVDSQGPOSKLD-UHFFFAOYSA-N 390.900 3.912 0 40 GHAB O=C1CC[C@H](c2cccc(NC(=O)Nc3ccn(Cc4ccccc4)n3)c2)N1 1219142072 JINLCHMRKSHJTD-GOSISDBHSA-N 375.432 3.527 0 40 GHAB CC(=O)N1c2ccccc2C(CSC(=S)N2CCOCC2)=CC1(C)C 2033970413 VMBFIGRTLMWOGZ-UHFFFAOYSA-N 376.547 3.565 0 40 GHAB O=C(O)COCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 2060993406 ORLJMBAZSLYSRH-UHFFFAOYSA-N 398.242 3.924 0 40 GHAB COc1ccc(/C=C2\N=C(c3ccc(OC(F)F)cc3)OC2=O)cc1OC 703407 YLTMGBMQTDZJQI-ZROIWOOFSA-N 375.327 3.650 0 40 GHAB Cc1ccc2c(c1)c1nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nc1n2C 1366126 XXNRTGYADRPQFJ-OKILXGFUSA-N 383.521 3.707 0 40 GHAB CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1cccc(C)c1)C(F)(F)F 3138028 PNTKESUTOCDXCC-GOSISDBHSA-N 380.366 3.659 0 40 GHAB O=c1c(-c2ccc3c(c2)OCCO3)c(C(F)(F)F)oc2cc(O)cc(O)c12 3203841 WRHCXHSYKVXVMV-UHFFFAOYSA-N 380.274 3.661 0 40 GHAB biogenic Cc1ccccc1NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3216716 KWYPOCDOXQSKQA-UHFFFAOYSA-N 377.421 3.625 0 40 GHAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(SC(F)F)cc1 3322069 MBODYGHKSWHTQV-UHFFFAOYSA-N 381.356 3.526 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1F 3482122 HUQVAVCZYJQBBK-UHFFFAOYSA-N 378.403 3.967 0 40 GHAB CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 3533905 XDUZTEAXZCRRLD-OAQYLSRUSA-N 398.484 3.633 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3608474 YENLQOHZYYZWPW-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cccc(Br)c3)cc12 4032911 SLLSQJNTSJMMPN-UHFFFAOYSA-N 399.288 3.880 0 40 GHAB O=C(c1cccc(O)c1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 4163649 MLOXMUHPMMQXIY-INIZCTEOSA-N 384.741 3.547 0 40 GHAB COc1cc(C(=O)NCCc2csc(-c3ccccc3)n2)cc(OC)c1OC 4167001 GEHFQFGPKPUDRI-UHFFFAOYSA-N 398.484 3.808 0 40 GHAB Cc1noc(C)c1CSc1nc2scc(-c3ccccc3)c2c(=O)n1N 4463923 VYWVYOIBRLDPIY-UHFFFAOYSA-N 384.486 3.736 0 40 GHAB CC(=O)N1C(=N)S/C(=C/c2cc3ccccc3nc2N2CCCCC2)C1=O 4657392 KCURFOPSJCITMZ-DBOKLQOQSA-N 380.473 3.623 0 40 GHAB CCN(CC)CCn1c(=N)n(CCOc2ccccc2Cl)c2ccccc21 4747803 WMVOHWPMIXENLI-UHFFFAOYSA-N 386.927 3.996 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(F)c(F)cc2Cl)c1C 4847078 LXPFKWFZOPLJRA-VIFPVBQESA-N 399.777 3.778 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1 5097623 KQKYTBJWZCBFTK-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB CCCCC(=O)N1CCN(c2nc3ccc(Br)cc3s2)CC1 5181367 MLLXHQHZOGOBQS-UHFFFAOYSA-N 382.327 3.898 0 40 GHAB Oc1cccc(-c2csc(N3N=C(c4ccco4)C[C@@]3(O)C(F)(F)F)n2)c1 5243403 AQOIVXZTUIHKTN-MRXNPFEDSA-N 395.362 3.974 0 40 GHAB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 5250671 FNQAZFDXSNSMGQ-UHFFFAOYSA-N 388.533 3.772 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)c(OC)c1 5252310 FDEBDZHIBCFYSS-UHFFFAOYSA-N 380.444 3.645 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2n[nH]c3ccccc23)N2CCCCC2)cc1 5267844 SUMKPCLXCGHQHZ-HXUWFJFHSA-N 378.476 3.529 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O 5304223 DLXHAPNKOVSKAU-IAGOWNOFSA-N 375.472 3.848 0 40 GHAB COc1cc(C(=O)OCC(=O)N2CCC(C)CC2)cc(Cl)c1OC(C)C 5489818 QCJQFFHUULFQND-UHFFFAOYSA-N 383.872 3.551 0 40 GHAB Cn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccco1 5505517 BBKNAMDXGIMFDJ-QGZVFWFLSA-N 382.489 3.921 0 40 GHAB CCCCN1C(=O)S/C(=C2\C(=O)Nc3ccc(Br)cc32)C1=O 5552471 HQQPGEHJSJVUHT-QXMHVHEDSA-N 381.251 3.608 0 40 GHAB O=S(=O)(c1ccc(SCCOc2ccc(Cl)cc2)nc1)N1CCCC1 5704122 GQDXOBKBJOKFKU-UHFFFAOYSA-N 398.937 3.691 0 40 GHAB CNC(=O)c1nc[nH]c1/N=c1\scc(-c2ccccc2)n1-c1ccccc1 5799938 SHNMVBBOYAEBBI-GFMRDNFCSA-N 375.457 3.521 0 40 GHAB CCN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2OC)N(C)C1=S 6462990 FPQIHHRNONZBHT-WDZFZDKYSA-N 389.702 3.531 0 40 GHAB COc1ccc(CCN(C)C[C@H](O)COc2c(C)ccc(C)c2C)cc1OC 6940162 IDMYKBZPXFQCOW-FQEVSTJZSA-N 387.520 3.543 0 40 GHAB COc1cccc(C2=N/C(=C\c3ccc(F)c(Br)c3)C(=O)O2)c1 7000365 WEKNWIBFJSISII-NVNXTCNLSA-N 376.181 3.941 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 7065763 DGMCXYFPXLRTJL-UHFFFAOYSA-N 398.894 3.701 0 40 GHAB COc1ccc(CNC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 7404028 RPAWOKWXPICVHD-UHFFFAOYSA-N 384.457 3.766 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)NCCSCc3ccsc3)ccc12 7696934 OEXZMJIECILTAN-UHFFFAOYSA-N 389.498 3.591 0 40 GHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cc(Cl)c2c(c1)OCCCO2 7976357 IJNQLWRJYGEITF-UHFFFAOYSA-N 386.835 3.646 0 40 GHAB CCOc1cc2c(cc1OCC)CN(C(=O)Cc1noc3ccccc13)CC2 8388615 IZBFGINBLXQIKS-UHFFFAOYSA-N 380.444 3.753 0 40 GHAB Cc1ccc([C@@H](NC(=O)c2ccccc2S(C)(=O)=O)c2ccccc2)cc1 8393914 OYWGAURDCMCNLH-NRFANRHFSA-N 379.481 3.918 0 40 GHAB COc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2cc(C)ccc2C)c1 8417665 NOXSHHZCCIGAHE-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB CC(C)Sc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 8803656 XVHBKEXFTAQKAH-UHFFFAOYSA-N 378.457 3.995 0 40 GHAB Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccco2)cc1 9132168 KDCSTIDLDKQIKD-OAHLLOKOSA-N 381.457 3.643 0 40 GHAB Cc1nnc(SCc2cc(=O)n3c(C)csc3n2)n1C1CCCCC1 10014795 LCWZTSNDQBIZIW-UHFFFAOYSA-N 375.523 3.762 0 40 GHAB COc1cccc(COc2coc(C(=O)N[C@@H](C)c3ccccc3)cc2=O)c1 11856943 INUDMEPIBJFYFR-HNNXBMFYSA-N 379.412 3.718 0 40 GHAB COc1ccc2c(c1)CN(Cc1ccccn1)CC1(CCC(CN(C)C)CC1)O2 12133618 XREFZFJPWVRZAW-UHFFFAOYSA-N 395.547 3.975 0 40 GHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc21 12180598 RGBBBQHRUIXWMO-UHFFFAOYSA-N 392.908 3.971 0 40 GHAB COc1ccc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccc(OC)cc2OC)C3)cc1 12238581 IEALMRCOFOJSRK-VXMMSVGHSA-N 397.515 3.832 0 40 GHAB COc1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc(Cl)c1OC 12747143 WYHYUOOJDSBVJJ-UHFFFAOYSA-N 388.851 3.636 0 40 GHAB COC(=O)c1cc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)ccc1F 12755131 JUBLDVNUSHPGMY-IBGZPJMESA-N 382.391 3.515 0 40 GHAB CN(C)[C@@H](CNC(=O)c1ccc(F)cc1Br)c1cccc(F)c1 12780489 QLMUVARROOXFOA-INIZCTEOSA-N 383.236 3.760 0 40 GHAB O=C(CCn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(F)c(F)c1 12790725 BVXPLPUZDVILID-UHFFFAOYSA-N 397.307 3.666 0 40 GHAB C[C@H]1CN(Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)C[C@H](C)O1 12811680 UIXQPCFYVKJGTP-QWRGUYRKSA-N 383.876 3.797 0 40 GHAB CC(C)[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCCCO2 12985624 NKOZSFWOSYDBTF-IBGZPJMESA-N 397.443 3.802 0 40 GHAB C[C@H](NC(=S)Nc1cccc(F)c1)[C@H](c1cccs1)N1CCOCC1 13878798 DNWDKRSFUCOBDM-SUMWQHHRSA-N 379.526 3.636 0 40 GHAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCC[C@H]1c1ccc2c(c1)OCCO2 14171456 QVISFAIQWIHOGB-HNNXBMFYSA-N 387.819 3.817 0 40 GHAB COc1cccc(NC(=O)[C@@H](c2ccccc2)n2nnc(-c3ccccc3)n2)c1 14183622 HLVPPYHNZAWJHF-HXUWFJFHSA-N 385.427 3.577 0 40 GHAB Cc1cc2oc(=O)cc(COC(=O)c3cccc(NC(N)=O)c3)c2cc1Cl 14599977 YWANLEUFGLXWSZ-UHFFFAOYSA-N 386.791 3.602 0 40 GHAB C[C@H](NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1)c1ccc(F)cc1 15521302 UMIQUGUBAKCTMD-YJBOKZPZSA-N 376.497 3.746 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)C(F)F)cc1 15999465 FXEOZTIMAWQMAM-UHFFFAOYSA-N 378.400 3.736 0 40 GHAB C[C@@H](OC(=O)CCSc1ccccc1F)C(=O)Nc1ccc(N(C)C)cc1 16539935 VZPUTSPIZRZKEU-CQSZACIVSA-N 390.480 3.944 0 40 GHAB O=C(Cn1nc(-c2cccnc2)oc1=S)Nc1ccc(OC(F)F)cc1 16768758 QHZMZMIRBCFUJW-UHFFFAOYSA-N 378.360 3.508 0 40 GHAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)C[C@H]3C=CCC3)CC2)C1 19019886 ISVZCYXEBGGCOO-RNQSCQIESA-N 396.531 3.924 0 40 GHAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cc(-c2cccc(F)c2)no1 19666731 LZELMQPDBSATGM-UHFFFAOYSA-N 378.363 3.803 0 40 GHAB CCc1c(C(=O)Nc2cccc(OC)c2)nnn1-c1ccc(OC(F)F)cc1 19911290 YESLRBZVFSOFQK-UHFFFAOYSA-N 388.374 3.692 0 40 GHAB Cc1cc(C)n(CCCNC(=O)c2sc(NC(=O)c3ccco3)cc2C)n1 23246841 PVVVPLVHXXBMPP-UHFFFAOYSA-N 386.477 3.535 0 40 GHAB CCONC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 23751920 WRULHDAXWLBZHU-UHFFFAOYSA-N 380.238 3.718 0 40 GHAB OCCNc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 24023482 PXANXVMTWTZDHN-UHFFFAOYSA-N 380.839 3.617 0 40 GHAB Cc1cccc2c(=O)[nH]c(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)nc12 24602294 SLLXOWGDGJAHIX-GOSISDBHSA-N 391.471 3.730 0 40 GHAB CSCc1nnc(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)o1 24829683 MJTWVCKDZYVWGJ-UHFFFAOYSA-N 395.840 3.918 0 40 GHAB CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(C)c1)c1ccc(C)cc1 26919529 XJLLZIDRJCKZBO-SFHVURJKSA-N 395.908 3.930 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)c1 28260330 ZWCWPRJEKJQTJT-UHFFFAOYSA-N 375.446 3.595 0 40 GHAB O=C1c2ccccc2-c2nn(C[C@@H](O)COCc3cccs3)c3cccc1c23 28917213 WRYYSCSHYQBCDX-CQSZACIVSA-N 390.464 3.887 0 40 GHAB Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCCC2 32125321 MFVXBALZIUWYPU-UHFFFAOYSA-N 387.530 3.551 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)c1cc2cc(F)ccc2[nH]1)N1CCCC1 32755592 LYWXBLBYGFZVRQ-HXUWFJFHSA-N 381.451 3.883 0 40 GHAB COc1ccc(CCNC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1OC 32891543 GZBNRYONJIVQHB-UHFFFAOYSA-N 384.476 3.541 0 40 GHAB Cc1ccc(NC(=O)c2ccccc2)cc1OCc1cc(=O)n2ccccc2n1 33268525 UWORDOWVZPIBEC-UHFFFAOYSA-N 385.423 3.834 0 40 GHAB CCCOc1ccc([C@@H]2N[C@H](C(=O)OC)Cc3c2[nH]c2ccccc32)cc1OC 35828018 NWWCSUHMXMMXGJ-RXVVDRJESA-N 394.471 3.742 0 40 GHAB biogenic CC[C@H]1c2ccsc2CCN1C(=O)CCNC(=O)c1ccc(F)cc1F 39996894 JKEHIIDZZLYTAG-INIZCTEOSA-N 378.444 3.682 0 40 GHAB CC(C)C[C@@H](NC(=O)c1nc(SCc2ccccc2)ncc1Cl)C(=O)O 41097698 NNFQTNDLIJDYTQ-CQSZACIVSA-N 393.896 3.651 0 40 GHAB O=C1C[C@@H](c2ccccc2)N(C(=O)c2ccc(-c3ccc(F)cc3)o2)CCN1 47229157 PMJBAXAMKVSIAC-SFHVURJKSA-N 378.403 3.789 0 40 GHAB CC(=O)N(c1ccc(F)cc1)c1nc(CSc2nnc(N)s2)cs1 54912552 PHKMWYIJHGYSCY-UHFFFAOYSA-N 381.483 3.693 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cc(F)ccc2F)c(-c2ccc(F)cc2)n1 57508733 HQCWJVNPTFLZNO-UHFFFAOYSA-N 387.361 3.529 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(NCC(F)(F)F)s2)c1 57813489 RTIGHSBBGVDPSL-UHFFFAOYSA-N 376.429 3.860 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1 58341080 UNBNSHJCHNPQML-UHFFFAOYSA-N 385.435 3.820 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2Cl)o1 58391660 NCTHJDWZBLZNCR-KOLCDFICSA-N 375.277 3.926 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2Cl)o1 58391662 NCTHJDWZBLZNCR-MWLCHTKSSA-N 375.277 3.926 0 40 GHAB CCN(c1cccc(F)c1)S(=O)(=O)c1cc(C(=O)O)c(F)cc1Cl 63877797 ZYZPKBNWLXQRQB-UHFFFAOYSA-N 375.780 3.532 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3CC)ccc21 64947116 RQNIKVHLWKMDNG-UHFFFAOYSA-N 376.503 3.836 0 40 GHAB O=S(=O)(Cc1coc(-c2cccs2)n1)C[C@H](O)c1ccccc1Cl 65651385 ZTSKMTHMPNLRSO-AWEZNQCLSA-N 383.878 3.705 0 40 GHAB O=C(NCC1(c2cccc(F)c2)CCOCC1)c1cnc(-c2ccccc2)nc1 66921923 LDTMCAKOLZSNFD-UHFFFAOYSA-N 391.446 3.761 0 40 GHAB CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)o1 78850119 GSMDUHPGOWSGIF-FTRWYGJKSA-N 376.522 3.740 0 40 GHAB C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)C1CCOCC1 79025268 HBIZFHUYYBJWGX-QGZVFWFLSA-N 378.472 3.772 0 40 GHAB CSc1nc2n(n1)[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1)[C@@H](C)N2 80325101 HZMNOFVJCULNET-COXVUDFISA-N 379.489 3.658 0 40 GHAB O=C1NC(=O)c2ccccc2/C1=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1 84576881 XSIJMKDURXETER-LFIBNONCSA-N 383.329 3.702 0 40 GHAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc2c(c1)Cc1ccccc1-2 95948197 SJUGMDVLSGPMLT-NHCUHLMSSA-N 386.451 3.538 0 40 GHAB O=C(CS(=O)(=O)C1CCCC1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 95983577 QYMHOFQSHYCGBM-UHFFFAOYSA-N 385.485 3.584 0 40 GHAB CN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccccc1)CC2 96145034 HQVIJYHHBNNDOF-UHFFFAOYSA-N 386.499 3.627 0 40 GHAB CCOc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 101170328 RIGXCOUCFPVWMD-LAUBAEHRSA-N 398.484 3.806 0 40 GHAB Cc1ccc(C)c(-n2ncc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)c2C)c1 151867548 MVPIMTPTMJHIGZ-UHFFFAOYSA-N 397.500 3.762 0 40 GHAB CO[C@H](CNC(=O)C(=O)Nc1ccccc1SC)c1ccccc1Cl 158501463 ULQLJZXIJUSZAK-OAHLLOKOSA-N 378.881 3.504 0 40 GHAB CCc1nc(S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C(=O)O)n[nH]1 213401650 VJMFVXDVALLSSC-DHDCSXOGSA-N 399.428 3.852 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c(C)c1 219725380 YJHBJRXNGMFLII-SFHVURJKSA-N 388.533 3.582 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 223827616 VVOFKEMAJAIRON-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 223900909 CZXWBIBCDDWGHK-UHFFFAOYSA-N 389.517 3.900 0 40 GHAB CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 224717628 PTLGESSGNGSEMO-UHFFFAOYSA-N 388.272 3.995 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3ccc(C)c(C)c3)ccc21 224984200 UVACDMLMBXKGKR-MRXNPFEDSA-N 386.517 3.642 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 225163501 LITPFHSKXPALCM-NRFANRHFSA-N 382.504 3.707 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 225184088 LIDDIONCNIUFIU-OAHLLOKOSA-N 390.936 3.737 0 40 GHAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C 225452693 SXWMPWPYIMERNV-QFIPXVFZSA-N 380.532 3.914 0 40 GHAB CCN1C(=O)[C@H](C(=O)N[C@@H](C)c2ccccc2)[C@H]2C[C@@]1(C)Oc1ccccc12 229946506 IBJXYVQUQVHMFM-SBNKCGQISA-N 378.472 3.625 0 40 GHAB O=C(CCc1ccccc1F)NC[C@@](O)(c1ccsc1)c1cccs1 238839452 HMYVRKDOJGUENK-LJQANCHMSA-N 375.490 3.934 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)C2CCCC2)CC1 257210125 BTGWKVSPRZEWHW-IYBDPMFKSA-N 386.540 3.709 0 40 GHAB CC(C)N1CCC(c2cncc(N3C(=O)OC[C@H]3Cc3ccccc3)n2)CC1 257211359 BYPBBSIKQOTTIH-LJQANCHMSA-N 380.492 3.632 0 40 GHAB Cc1nccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)n1 257233638 GQBNABOYWOXCOC-LJQANCHMSA-N 380.423 3.870 0 40 GHAB Cc1cnc(C(=O)N2CCC(C)(c3ncc(Cc4ccccc4F)o3)CC2)cn1 257286025 PJWKMTZVYKNMBG-UHFFFAOYSA-N 394.450 3.697 0 40 GHAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)c3c(F)cccc3F)C2)cn1 257308146 TVPFYAWNZNNBSM-AWEZNQCLSA-N 398.413 3.731 0 40 GHAB Cc1ccc2c(c1)OC1(CCN(C(=O)c3cscn3)CC1)[C@H]1CCCO[C@H]21 257311767 UKWWWFIQPVRNCL-QFBILLFUSA-N 384.501 3.987 0 40 GHAB CCOc1ccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1 257342746 ZPZSEXJIEPZFSB-DNVFCKCGSA-N 381.520 3.645 0 40 GHAB Fc1ccc(C(F)(F)F)c(-c2noc(Cn3nnc(-c4ccccc4)n3)n2)c1 544949830 BHRATGRRHXNRJF-UHFFFAOYSA-N 390.300 3.596 0 40 GHAB O=C1NCCN1c1cccc(-c2noc(/C=C/c3ccccc3-n3cccn3)n2)c1 558375579 GBNIWFYOVMQIBW-MDZDMXLPSA-N 398.426 3.622 0 40 GHAB CCOc1ccccc1CN1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615128429 JSCBTVUYYXKENT-HSZRJFAPSA-N 398.478 3.622 0 40 GHAB Cc1csc(C(=O)N2CCC(c3nnc4ccc(C(C)(C)C)nn34)CC2)c1 1888879094 CLUBMLCJMTZXRI-UHFFFAOYSA-N 383.521 3.812 0 40 GHAB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1 933591 UXLXKBFCOZACPC-UHFFFAOYSA-N 388.880 3.778 0 40 GHAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCC(C)CC1 1353620 LHCFWGMCUYIODS-UHFFFAOYSA-N 397.450 3.616 0 40 GHAB CC(C)N(C(=O)CSc1nnc(NC(=O)c2ccccc2)s1)C(C)C 1371421 LFPAFFJKUCXQHM-UHFFFAOYSA-N 378.523 3.528 0 40 GHAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)NCc1ccccc1)c1ccc(F)cc1 1378001 NBOHAIAHSJRJSW-SFTDATJTSA-N 395.478 3.851 0 40 GHAB CCOC(=O)[C@](CC)(CCC(=O)OC)c1csc(Nc2ccccc2O)n1 1897885 GZGBFOLWQQCHDZ-LJQANCHMSA-N 392.477 3.756 0 40 GHAB CN(C)C[C@H](CC[C@H](CN(C)C)C(=O)c1ccccc1)C(=O)c1ccccc1 2312759 HIDLIUDTNBBUQM-SZPZYZBQSA-N 380.532 3.888 0 40 GHAB O=C(COC(=O)CCSc1ccccc1Cl)Nc1ccc2c(c1)OCO2 3272508 NWVLSNRLPQESPQ-UHFFFAOYSA-N 393.848 3.733 0 40 GHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccccc2Br)c1 3284402 VIRGSEVAXYOREG-MDZDMXLPSA-N 390.233 3.653 0 40 GHAB C[C@]1(c2ccccc2Cl)NC(=O)N(CCOc2ccccc2Cl)C1=O 3353595 ZFJGBKBJNSUWCN-GOSISDBHSA-N 379.243 3.839 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nncn3-c3ccccc3)c2C)no1 3453072 KVXHVZBLSDGONL-UHFFFAOYSA-N 393.472 3.946 0 40 GHAB Cn1c(=O)c2c(-c3ccccc3)n(-c3cccc4ccccc34)cc2n(C)c1=O 4994535 NCTDHOVYFAZMHU-UHFFFAOYSA-N 381.435 3.848 0 40 GHAB Cc1ccc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)cc1NC(=O)c1ccco1 4996600 CKPHRZKWOKZPOT-OAHLLOKOSA-N 398.459 3.835 0 40 GHAB Cc1sc2ncn(CC(=O)c3cc(C)n(C[C@H]4CCCO4)c3C)c(=O)c2c1C 5319389 XBYCSHAUAYITAN-MRXNPFEDSA-N 399.516 3.555 0 40 GHAB CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 5396418 NQSLOQPFYHYWHK-UHFFFAOYSA-N 397.862 3.910 0 40 GHAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ncc(Cl)cc1Cl 6097643 NWOPQXBJKLJLJW-VIFPVBQESA-N 386.308 3.826 0 40 GHAB O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)NCc1ccco1 6126931 YKQMETBHURBKKY-UHFFFAOYSA-N 384.819 3.881 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c1 6144582 LQUJDOQDBCVUME-IAGOWNOFSA-N 386.517 3.914 0 40 GHAB CC(=O)N[C@H]1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 6758003 HYQNZXRKFAKADV-MRXNPFEDSA-N 393.668 3.827 0 40 GHAB Cc1cc2c(cc1Br)C(=O)[C@@](CO)(Sc1ccccc1)CO2 6787670 ZGWKTAFNKRATAA-KRWDZBQOSA-N 379.275 3.856 0 40 GHAB CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccccc1)S2 6812284 AVATXUXWTYNTNW-QZTJIDSGSA-N 397.479 3.768 0 40 GHAB O=C(COC(=O)c1cccc(-n2cccc2)c1)Nc1ncc(Cl)cc1Cl 7359150 SDQXBMVDBJOKMX-UHFFFAOYSA-N 390.226 3.975 0 40 GHAB COc1ccccc1CN(Cc1cccs1)C(=O)Cn1nnc2ccccc21 8131155 ZRKLGADSELGTPZ-UHFFFAOYSA-N 392.484 3.730 0 40 GHAB O=C(c1ccncc1)N1C[C@@H]2C[C@H](C1)c1ccc(C3CCCCC3)c(=O)n1C2 8296270 BUTHKYIAJBATBK-QFBILLFUSA-N 377.488 3.551 0 40 GHAB biogenic,in-vitro O=c1ccc2ccc(OCc3nnc(-c4ccc(Br)o4)o3)cc2o1 8745234 HCJKGIGLHCABII-UHFFFAOYSA-N 389.161 3.778 0 40 GHAB Cc1cc(=O)n2c(n1)N=C(Nc1cccc(C)c1C)N[C@H]2c1ccc(F)cc1 9013502 RWISOXWWSQAUBI-LJQANCHMSA-N 377.423 3.557 0 40 GHAB Nc1c(C(=O)Nc2ccc(Br)cc2)nnn1-c1ccc(Cl)cc1 9047960 ZRCRYFAFRPVJSB-UHFFFAOYSA-N 392.644 3.518 0 40 GHAB O=C(OCc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1cccs1 9686009 ZHHSCEWCGUBAMR-UHFFFAOYSA-N 375.475 3.617 0 40 GHAB C[C@H]1Cc2cc(C(=O)Nc3cccc4ccccc34)ccc2N1S(C)(=O)=O 10324104 SJZUNSMLIVRYTI-AWEZNQCLSA-N 380.469 3.803 0 40 GHAB CC(C)Oc1ccc(-c2nonc2NC(=O)c2cc3ccccc3oc2=O)cc1 11913722 YGTJRNMAMQEQNW-UHFFFAOYSA-N 391.383 3.883 0 40 GHAB CCCn1cc(C(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)c(C)n1 12145975 IRXJAAJSXDRQAQ-UHFFFAOYSA-N 396.516 3.946 0 40 GHAB CCC(=O)c1ccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12568890 ZOWCAGHYINGNGW-IBGZPJMESA-N 395.455 3.793 0 40 GHAB COc1cc(/C=C/C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC(C)C 12779941 DIFTXIKTADBRRQ-XMZCSZCVSA-N 394.515 3.886 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NCc1cccc(C(F)(F)F)c1)(C3)C2 12799406 AEIZZSXIVOWYIL-BANKROOTSA-N 394.437 3.797 0 40 GHAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 12886597 SDLZCPHTIDGOOA-UHFFFAOYSA-N 382.391 3.599 0 40 GHAB Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)cc1Cl 12916175 JVLGRWFBJWMMDG-UHFFFAOYSA-N 385.895 3.938 0 40 GHAB CCOc1cc(CN(c2cc(C)nc3ncnn23)C2CC2)ccc1OC(F)F 12918118 URPCRNFKUUJSEW-UHFFFAOYSA-N 389.406 3.602 0 40 GHAB C[C@@H](c1ccccc1)N(C)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 12942127 AVDBFKUWVJOZGM-ZDUSSCGKSA-N 381.501 3.626 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@@H](C)C3)cs2)c1 12978400 NFIQRWJSGIUKEJ-OKILXGFUSA-N 389.521 3.891 0 40 GHAB O=C1CC[C@]2(C(=O)OCc3cnn(-c4ccccc4)c3)Sc3ccccc3N12 12979553 SRHCJVUJSWXZOM-OAQYLSRUSA-N 391.452 3.545 0 40 GHAB Cc1cccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 13669618 PGPOZLPSSMGXJK-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB CCOC(=O)CSCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 15181238 HICJOXZYELNSIM-CYBMUJFWSA-N 394.543 3.784 0 40 GHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc21 15867612 AYXKGLTZZAXNBH-HNNXBMFYSA-N 399.516 3.905 0 40 GHAB Cc1ccc(F)cc1NC(=O)Cn1cnc2c(sc3cccc(F)c32)c1=O 16840513 VOCJSMPTXVKMGI-UHFFFAOYSA-N 385.395 3.837 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4ccccc4OC)C[C@H]23)cc1 19019454 LAAPDBNNMLCBGK-DNVJHFABSA-N 394.515 3.540 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)c(OC)c1 19078699 HHAAINLAPPXQGR-KSSFIOAISA-N 399.443 3.564 0 40 GHAB C[C@H](C(=O)Nc1cccc(CN2CCCCC2)c1)n1cnc2ccccc2c1=O 19080639 OFJLSCOVJYXVER-QGZVFWFLSA-N 390.487 3.582 0 40 GHAB O=C(NC1CCN(CC2(c3ccc(F)cc3)CCCC2)CC1)C1CCOCC1 19332928 ZOWQBGGKXAXVMX-UHFFFAOYSA-N 388.527 3.645 0 40 GHAB C[C@H](CN1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1)c1ccccc1 19456125 HSDBRFIPQLBPBP-NRSFXHEJSA-N 375.467 3.784 0 40 GHAB COc1ccc(CN2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c(OC)c1 19552451 NAGGDYGKTRHTNK-JOCHJYFZSA-N 382.435 3.965 0 40 GHAB Cc1cnc(C(=O)N2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)cn1 19690498 BLRHOLFWCDBCMS-UHFFFAOYSA-N 390.462 3.930 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)NCCc3nc(C(C)(C)C)cs3)CC2=O)c(C)c1 19714984 SWGVQVUYLPNIFO-INIZCTEOSA-N 399.560 3.769 0 40 GHAB COc1ccc(-c2cc(C(=O)NCc3ccccc3N3CCCC3)nn2C)cc1 19716175 MSWJROYIADLCND-UHFFFAOYSA-N 390.487 3.626 0 40 GHAB CCn1nc([C@H](C)C(=O)NCC(C)(C)c2cccc(F)c2)c2ccccc2c1=O 19716935 KKKWNRQUGLPCIR-HNNXBMFYSA-N 395.478 3.753 0 40 GHAB C[C@@H](NC(=O)c1cnc(-c2ccccc2)[nH]c1=O)c1cccc(Br)c1 19937346 MFICFYRFSGDKDA-GFCCVEGCSA-N 398.260 3.690 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)cc1Cl 20258676 OHVOYQWFIFKLNE-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccccc2F)CC(O)=N3)cc1 20727145 NIDQSXOELLUUPX-QGZVFWFLSA-N 380.379 3.869 0 40 GHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc(OC[C@H]2CCCO2)c1 22609601 QRDXQCNJAPMQFU-PKTZIBPZSA-N 394.515 3.811 0 40 GHAB C[C@@H](OC[C@@H](O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccc(Cl)cc1 23401212 BYCCZDKUKJOPKR-CJNGLKHVSA-N 398.846 3.935 0 40 GHAB CN(C)[C@@H](CNC(=O)Cc1csc(-c2cccs2)n1)c1ccsc1 25330846 PGVKBYICCCWSTD-AWEZNQCLSA-N 377.560 3.895 0 40 GHAB COc1ccc2nc(C)c(C(=O)NCc3cc(OC)c(OC)cc3OC)cc2c1 26909779 OAEFRZOJOFGORP-UHFFFAOYSA-N 396.443 3.508 0 40 GHAB CCCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1Br 27824276 ZRVATXDSPRBMPK-UHFFFAOYSA-N 387.299 3.542 0 40 GHAB CC(=O)c1ccc(OCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)o2)cc1 27976735 AEVRUVCHJZWNMJ-UHFFFAOYSA-N 393.395 3.720 0 40 GHAB O=C(CSCc1nc2scc(-c3cccs3)c2c(=O)[nH]1)N1CCCC1 29506333 NAVQYEFEHTUCDH-UHFFFAOYSA-N 391.543 3.569 0 40 GHAB COC(=O)c1cc(COC(=O)c2cc3cc(Br)ccc3[nH]2)oc1C 31456024 RQNDDTQBMPEAHG-UHFFFAOYSA-N 392.205 3.975 0 40 GHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1cc(F)cc2cccnc12 31607037 WDEKOGCOZCNLOH-JOCHJYFZSA-N 375.403 3.658 0 40 GHAB O=C(NCc1ccccn1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 31817886 CWIZKMQSOBBLDD-QGZVFWFLSA-N 387.439 3.543 0 40 GHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C(=O)OCC(C)C)cc1 32124191 YGHQDYRYMZPLGN-LJQANCHMSA-N 385.416 3.798 0 40 GHAB biogenic CC(C)[C@H](Sc1nnc(N)s1)C(=O)Nc1ccccc1C(F)(F)F 32322521 OYYYJUWOULDGGZ-JTQLQIEISA-N 376.429 3.895 0 40 GHAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(OC)c2)c(-n2cnnc2)c1 32646823 XYSSTVRVBMCJNL-OAHLLOKOSA-N 380.448 3.807 0 40 GHAB Cc1ccc(-c2nc(Cn3cnc4c(cnn4-c4ccccc4)c3=O)co2)c(C)c1 32754332 XEPCSCMZSXSSHF-UHFFFAOYSA-N 397.438 3.902 0 40 GHAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccnc1S 32882765 YOQAPWBOWXJQRN-UHFFFAOYSA-N 382.514 3.637 0 40 GHAB Cn1nc(NC(=O)c2ccccc2Cl)c2c1NC(=O)C[C@H]2c1cccs1 36705644 FIHFSXDNCAYOQQ-NSHDSACASA-N 386.864 3.861 0 40 GHAB O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCN(C(=O)c2ccco2)C1 40040728 GQXIRGCVSHTEBR-LBPRGKRZSA-N 387.486 3.956 0 40 GHAB CC(C)(C)c1cccc(OCC(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1 40058607 OZEIOMVFSIGMOY-UHFFFAOYSA-N 394.515 3.784 0 40 GHAB CC1CCN(Cc2ccc(CNS(=O)(=O)c3cccc(F)c3)cc2)CC1 40062343 IVBCNSCVDSTVSA-UHFFFAOYSA-N 376.497 3.536 0 40 GHAB CC(C)(CNC(=O)CCNC(=O)C1CCCC1)c1ccc(Br)cc1 40113423 LMQSJXWONXQSJN-UHFFFAOYSA-N 395.341 3.539 0 40 GHAB CCCCCn1ccc2nc3nc(C)nn3c(-c3cccc(OC)c3)c2c1=O 40398484 JOBJFQKYUIPFLE-UHFFFAOYSA-N 377.448 3.613 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N(CC(C)C)CC(C)C 40422751 LBNQJGQERYWTMV-UHFFFAOYSA-N 378.332 3.760 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 44845420 QSYSCLCZXIRNAL-SFHVURJKSA-N 399.443 3.673 0 40 GHAB CCOc1ccccc1CNC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 44899896 VCBBGJUHNDJAPH-AWEZNQCLSA-N 375.490 3.900 0 40 GHAB CCn1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)ccc1=O 47181858 RHNNOSDOJPZWHO-UHFFFAOYSA-N 375.787 3.876 0 40 GHAB Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c1 48248116 SVUZPTWSCUNTHE-NRFANRHFSA-N 392.499 3.746 0 40 GHAB CC(C)n1ncc2cc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)cnc21 48278483 YYOXGYZCGYRCSA-LJQANCHMSA-N 394.479 3.620 0 40 GHAB CCc1nnc(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C(C)C)s1 48512850 PCAJSYVSAUMISY-JTQLQIEISA-N 392.510 3.652 0 40 GHAB Cc1cc2oc(=O)cc(CN3CCN(c4cccc(Cl)c4)CC3)c2cc1O 54106049 SEHHJMUAQWRYSS-UHFFFAOYSA-N 384.863 3.783 0 40 GHAB biogenic O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc2ncccc12 54582829 LLVNHEMQJRZGEG-UHFFFAOYSA-N 380.879 3.649 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Cn2ccccc2=O)o1 55394803 CTFWPCXBZYUCIR-UHFFFAOYSA-N 388.427 3.544 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(F)cc2C)nc2ccccc2c1=O 57472431 IVJJKRMXCGCBLO-UHFFFAOYSA-N 385.464 3.985 0 40 GHAB CCN1CCN([C@H](C)CNc2ncnc3scc(-c4ccccc4)c23)CC1 59389314 AWGBJEKRRVAFJS-MRXNPFEDSA-N 381.549 3.796 0 40 GHAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2 59413002 XYYFEVFZNNESCZ-UHFFFAOYSA-N 385.894 3.868 0 40 GHAB COc1ccccc1[C@H]1CC(=O)Nc2c(C(=O)O)cn(-c3ccccc3F)c21 61720548 QDZPCPDKGKVJRY-CYBMUJFWSA-N 380.375 3.797 0 40 GHAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NC1CCCC1)C(=O)OC2 62001730 OCORRTIZMPWMTN-MDWZMJQESA-N 387.476 3.707 0 40 GHAB biogenic O=C(c1cnccn1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72349212 DLIYOCQCUSHMJS-KRWDZBQOSA-N 376.435 3.621 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2cncc(Oc3ccc(F)cc3)n2)o1 72384123 RRVBWZIGXWRQBY-QGZVFWFLSA-N 382.395 3.990 0 40 GHAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(c3cccs3)CC2)cc1 77099779 RRDUNJYZSUJRCF-UHFFFAOYSA-N 391.558 3.879 0 40 GHAB CCOC(=O)c1cs/c(=N/C(=O)c2nc(C)sc2-c2cccc(F)c2)[nH]1 79481816 RLYTVKARVNWOGJ-UHFFFAOYSA-N 391.449 3.565 0 40 GHAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)NC3CCOCC3)[C@@H]2c2cccs2)cc1 95364830 AGMORENQKQMWHV-WIYYLYMNSA-N 398.528 3.836 0 40 GHAB O=C(NCCSCc1ccnc(Cl)c1)[C@@H]1CCCN1Cc1ccccc1 95458533 YFFNOVSEBMETAN-SFHVURJKSA-N 389.952 3.749 0 40 GHAB COC(=O)C[C@H](c1oc(CSc2ccccc2OC)cc(=O)c1O)C(C)C 95476668 ONDHIYLRSUSPNR-AWEZNQCLSA-N 392.473 3.949 0 40 GHAB O=C(NCCc1nc(C(=O)O)cs1)OCC1c2ccccc2-c2ccccc21 97673794 NEYKGMWFAPTGND-UHFFFAOYSA-N 394.452 3.923 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 109016781 MAMJCSITLXOTFM-HRCADAONSA-N 393.553 3.524 0 40 GHAB CCn1c(=N)n(CC(=O)Nc2ccc(SC(F)F)cc2)c2ccccc21 169692304 MEPFXOYYOORHIH-UHFFFAOYSA-N 376.432 3.896 0 40 GHAB CC[C@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 216329942 OODOLDXJPGKWEU-GOSISDBHSA-N 394.924 3.543 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 222398929 TZEMWBRKFQKYBE-OAHLLOKOSA-N 390.936 3.904 0 40 GHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 222500078 KGLAYHIWUVRSCB-AVRDEDQJSA-N 396.531 3.960 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 223020381 XQPDKSSZVXIVKB-WOJBJXKFSA-N 396.491 3.630 0 40 GHAB CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccco1 223047387 LICQDEVUMJKCAW-QFIPXVFZSA-N 376.456 3.556 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)c1 224826651 ULEPDQJKKGNBQB-OALUTQOASA-N 381.457 3.869 0 40 GHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 224873265 DLUBIPFTVNMOBQ-UHFFFAOYSA-N 388.367 3.599 0 40 GHAB CCS(=O)(=O)C1CN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 225746904 XNJSELAYWRWGIF-UHFFFAOYSA-N 398.311 3.920 0 40 GHAB NNc1nc2c(Cl)cc(NC(=O)COc3ccc(Cl)cc3)cc2s1 226313324 FZBWTASJLFEABA-UHFFFAOYSA-N 383.260 3.906 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc1OC 243732656 PUJWYRGFGLHFAE-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccc(C)cc2)CC1 243860620 RIZCYIYTSNAGRX-UHFFFAOYSA-N 382.460 3.503 0 40 GHAB Cc1nc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)sc1C 252022255 ZIDVWOQYNDEBLD-RWYMCCIASA-N 397.500 3.653 0 40 GHAB O=C(NCCSc1c[nH]c2ccccc12)c1ccnc(O[C@H]2CCSC2)c1 252572611 ZMRHOYIPWBIWDW-HNNXBMFYSA-N 399.541 3.969 0 40 GHAB COc1ncc(CN2CCC[C@@H](c3ccc(-c4c(C)noc4C)cn3)C2)cn1 257232520 GLFSMMPXPINWHQ-GOSISDBHSA-N 379.464 3.532 0 40 GHAB O=C(c1ncccc1O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257243464 IHBSBAJMEJBKCP-OAHLLOKOSA-N 381.407 3.525 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408559895 NFMZVUKIEDPMTC-OAHLLOKOSA-N 398.484 3.544 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@H]1CSCN1C(=O)OCc1ccccc1 408737814 PATIPMCFNIGZNM-MRXNPFEDSA-N 376.865 3.990 0 40 GHAB Cc1cc(O[C@@H]2CCCN(C(=O)c3cccc(Br)c3)C2)nc(C)n1 575609170 KCHLHQGARDVWAK-MRXNPFEDSA-N 390.281 3.540 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@H](O)c2ccc(-c3ccsc3)cc2)cc1 575610921 QYILAUBCQOBZSW-IBGZPJMESA-N 381.453 3.665 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccn(C)n2)CC1 575616570 QKUGLCBDYFLLGN-LBPRGKRZSA-N 382.291 3.900 0 40 GHAB Cc1ccc(Cl)c(OC[C@@]2(O)CN(C3CCC(C)(C)CC3)CC[C@@H]2O)c1 585282658 MFPKZXCQIGNSBV-FPOVZHCZSA-N 381.944 3.794 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(c2ccc3cccnc3n2)CC1 655641289 CVYVEADANQHZFB-UHFFFAOYSA-N 385.464 3.646 0 40 GHAB CON(C[C@H]1CCCc2ccccc21)C(=O)[C@H](C)n1ccc(C(F)(F)F)n1 1156009583 VCERTFZZEXBPKG-DZGCQCFKSA-N 381.398 3.973 0 40 GHAB OCCc1cc2ccc(-c3nnc(N4CCCC4)n3Cc3cccs3)cc2o1 1263487541 LQZOFZNOAIJIEV-UHFFFAOYSA-N 394.500 3.936 0 40 GHAB CCCCC[C@H](O)CC[C]1[C@H](O)C[C@@H]2Cc3c(cccc3OCC(=O)O)C[C@H]12 1560407486 GKEDUEOJQFCNLI-MEZWHVQBSA-N 389.512 3.541 0 40 GHAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)c(C)o1 1888849460 TWSKHCCNAWIFBK-OKILXGFUSA-N 379.382 3.519 0 40 GHAB Fc1ccc(F)c(CN2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)c1 1888863884 VQZIXRDSGINRTA-UHFFFAOYSA-N 380.389 3.892 0 40 GHAB COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OC(C)C 707287 WLEXEBIQXFZHIT-JAIQZWGSSA-N 394.496 3.870 0 40 GHAB c1ccc2c(c1)CCO[C@H]2CNCCCCCNC[C@@H]1OCCc2ccccc21 2102015 NEHYCGHZQBAVCX-DQEYMECFSA-N 394.559 3.964 0 40 GHAB biogenic CCSc1nc(N2CCN(CC)CC2)c2c3c(sc2n1)COC(C)(C)C3 2426632 LTXCPRIJMLLLFF-UHFFFAOYSA-N 392.594 3.797 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Sc2nnc(-c3cccs3)o2)cc1 2621050 SPCJCGLSQNTMHU-NSHDSACASA-N 375.475 3.604 0 40 GHAB COc1ccc(/C=C/[C@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)c(OC)c1 4000117 ZZBMVJIELYWMNY-YSESTWPTSA-N 378.472 3.649 0 40 GHAB biogenic CCOc1ccc(Br)cc1S(=O)(=O)N1CCCc2ccccc21 4667261 QLSDZXDRESIWGJ-UHFFFAOYSA-N 396.306 3.989 0 40 GHAB CCC(=O)Nc1ccc(C(=O)Nc2nnc(Cc3ccc(OC)cc3)s2)cc1 4783462 BWJTZQZWMAIUNL-UHFFFAOYSA-N 396.472 3.738 0 40 GHAB COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1Cl 5015906 KETZRNATYGKWRX-SECBINFHSA-N 378.881 3.886 0 40 GHAB CSc1nc(NCCO)c2sc3nc(C)c4c(c3c2n1)CC(C)(C)OC4 5055140 OKARVSOFEOOLCE-UHFFFAOYSA-N 390.534 3.525 0 40 GHAB CCc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 5127548 DMKXPSAFDAEXSU-UHFFFAOYSA-N 386.517 3.503 0 40 GHAB C/C=C/c1ccc(OCC(=O)OCC(=O)c2ccc(OC)c(F)c2)c(OC)c1 5195289 DPHXRDTXSVIBOO-SNAWJCMRSA-N 388.391 3.681 0 40 GHAB CN1C[C@H](c2nc3ccccc3n2Cc2ccc(Br)cc2)CC1=O 6664474 RNLHASUBAPBLMD-CQSZACIVSA-N 384.277 3.793 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)o1 6929747 XGPKAFNEUZHDHS-KBPBESRZSA-N 376.478 3.507 0 40 GHAB Cc1cc(C)cc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)c1 6963432 FYSZEKDBCPXMMH-PZDOZLBDSA-N 377.488 3.913 0 40 GHAB COc1ccc(OCCn2cnc3c(sc4nc(C)cc(C)c43)c2=O)cc1 7256052 YGWYBSKFFQBBID-UHFFFAOYSA-N 381.457 3.711 0 40 GHAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@@H]2CCOCO2)cc1 8131840 PWNCAPFDMNTODL-SFHVURJKSA-N 385.464 3.852 0 40 GHAB O=C1N[C@@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)Nc2ccccc21 8164716 BWZAMWTXWKQTQN-QFIPXVFZSA-N 381.439 3.848 0 40 GHAB O=C([C@H]1CN(C(=O)c2cc3ccccc3o2)c2ccccc2O1)N1CCCCC1 8189715 YWHSPOKXFDDVJG-OAQYLSRUSA-N 390.439 3.853 0 40 GHAB CCc1ccccc1NC(=O)CNC(=O)c1csc(-c2ccc(F)cc2)n1 8366721 DLTQCUDCKAAKRA-UHFFFAOYSA-N 383.448 3.880 0 40 GHAB COc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 8411156 SFTPSRRVOFLELA-FMIVXFBMSA-N 392.377 3.824 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1F 8509641 WOSJTNIEKPEVOA-UHFFFAOYSA-N 393.358 3.554 0 40 GHAB COc1ccc(/C=C/c2nnc(NC(=O)COc3ccc(OC)cc3)s2)cc1 9359065 OYHYKLJNTFPYSP-LFYBBSHMSA-N 397.456 3.743 0 40 GHAB Cc1cnc(NC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)s1 9576633 GBOVCGRSTPITJA-INIZCTEOSA-N 396.516 3.743 0 40 GHAB O=C(COc1ccc(C(=O)N2CCC2)cc1)Nc1cccc(C(F)(F)F)c1 10109560 XRXPWRMDRDATLP-UHFFFAOYSA-N 378.350 3.569 0 40 GHAB Cc1ccc(-n2nc(C)c3c(=O)c(C(=O)Nc4ccc(F)cc4)c[nH]c32)cc1 10166807 WJFQJIKTAANHOU-UHFFFAOYSA-N 376.391 3.722 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3Cc4ccccc4S3)n2)o1 10921790 NUEMGMQCRVMXDL-QGZVFWFLSA-N 399.497 3.695 0 40 GHAB CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCCN(CCc3ccccc3)C2)C1 12087217 FQDQGXGLAZAOPW-XMMPIXPASA-N 378.516 3.813 0 40 GHAB CCc1ccc(-c2noc(CCC(=O)/N=c3\[nH]c4ccccc4n3CC)n2)cc1 12547359 UDIPGROJDGAWPK-UHFFFAOYSA-N 389.459 3.662 0 40 GHAB COc1cc(CC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc(OC)c1OC 12606915 ICYSVCWBLKVIPT-QFIPXVFZSA-N 392.455 3.556 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)CC1=O 12802332 BXNCUHCZPJUPRH-LBPRGKRZSA-N 378.350 3.706 0 40 GHAB C[C@@H](NCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccc2ccccc2c1 12817206 WGYRARPCWRBUDH-MRXNPFEDSA-N 375.472 3.937 0 40 GHAB CSc1nc(C)c(CCC(=O)NCc2ccc(OC(F)(F)F)cc2)c(C)n1 12864957 KYWIJSJONVGQET-UHFFFAOYSA-N 399.438 3.963 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C[C@H](O)COc1ccc2ccccc2c1 12933171 JKJDKPINHYXBNS-NRFANRHFSA-N 392.499 3.767 0 40 GHAB C[C@H](NCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccc2c(c1)OCCO2 12996598 XRTJIBQYZVOVRU-IRXDYDNUSA-N 394.515 3.865 0 40 GHAB CC(C)CCNC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583616 VXTAOQHTDFHVSY-UHFFFAOYSA-N 386.517 3.604 0 40 GHAB O=S(=O)(NCCCc1ccc(F)cc1)c1ccc(Br)s1 13673997 IJRKVKKLBMHMLN-UHFFFAOYSA-N 378.288 3.561 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(CC(C)C)nnc2s1 13693017 KZBIZUPDKZVHEF-UHFFFAOYSA-N 380.521 3.972 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 13711923 UHDRIVDYGZLKDC-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB CC[C@@H]1c2ccsc2CCN1Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 15547299 PDUOTVKBEZXHKG-OAHLLOKOSA-N 385.489 3.511 0 40 GHAB O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)c1cccc(F)c1 15882558 DTYHKLHEWKCJAA-QFIPXVFZSA-N 375.447 3.750 0 40 GHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1c2ccccc2N=C(O)[C@@H]1C(C)C 15973449 JMPAIBMAAPIQTC-HKUYNNGSSA-N 395.459 3.613 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)Cn3c(C)cc4ccccc43)CC2)c(F)c1 16111573 CGPVNPKUAAQPPD-UHFFFAOYSA-N 393.462 3.640 0 40 GHAB NC(=O)C1CCN(c2ccc3cccc(OCc4ccc(F)cc4)c3n2)CC1 17170687 IEOOZBXWVZEZQX-UHFFFAOYSA-N 379.435 3.655 0 40 GHAB CC(C)N(C(=O)CN1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1)C(C)C 19447583 HFFYATWDHKHDKE-INIZCTEOSA-N 393.915 3.530 0 40 GHAB COc1ccc(-c2ncc(CN(Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 19558571 VFSVZIWRTCSHII-QFIPXVFZSA-N 390.487 3.728 0 40 GHAB COc1ccc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c(OC)c1 19589286 KGSHQFYCFNFSFT-MQSCRBSSSA-N 384.495 3.905 0 40 GHAB Cc1ccccc1OC1CCN(CC(=O)Nc2ccccc2-n2ccnc2)CC1 19664348 XNCOUVLEMRTAHY-UHFFFAOYSA-N 390.487 3.663 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2sc3nc(C)[nH]c(=O)c3c2C)cc1 19718946 QJMJLIZWBKGPSH-INIZCTEOSA-N 397.500 3.977 0 40 GHAB CC1=C(C(=O)OCCOC(C)C)[C@@H](c2ccccc2C(F)(F)F)CC(=O)N1 20154618 SIVPCHNQMWLUPD-CQSZACIVSA-N 385.382 3.551 0 40 GHAB CCCCc1ccc(NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1 20450043 BRMLJLBBHGFUAV-BUHFOSPRSA-N 390.505 3.666 0 40 GHAB COc1ccc([C@@H](CNC(=S)Nc2cc(C)ccc2C)N2CCOCC2)cc1 21194019 PQIFBAQHHVZNLD-OAQYLSRUSA-N 399.560 3.672 0 40 GHAB CN(Cc1ccc(OC(F)F)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 21580871 YXFYEUHPQDVZBW-UHFFFAOYSA-N 379.794 3.581 0 40 GHAB O=C(CCc1nnc(-c2ccccc2)o1)OCc1nc(-c2ccsc2)no1 22003318 LYENKKDJGQLOHW-UHFFFAOYSA-N 382.401 3.524 0 40 GHAB CC(C)c1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 22274105 XVVROCYXLFXREY-UHFFFAOYSA-N 388.533 3.920 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1-n1ccnc1C 22519516 NFPKYDUMLDGWAH-NRFANRHFSA-N 379.460 3.663 0 40 GHAB O=C(OCc1cc(-c2ccc3c(c2)OCO3)on1)c1cc2ccccc2oc1=O 22769104 BEDMLRDILQVVHQ-UHFFFAOYSA-N 391.335 3.534 0 40 GHAB CCc1nc2sc([C@@H](c3ccc(C)cc3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 22854369 DNIVMLGDZJVAFY-JKIFEVAISA-N 386.521 3.566 0 40 GHAB C[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)c1ccc2c(c1)CCC2 23266277 UXTFZYOVALVOHT-CQSZACIVSA-N 378.403 3.928 0 40 GHAB COc1ccccc1-c1nnc(SCc2cc(=O)oc3cc(O)ccc23)n1C 23553633 ZOTVXHUWSOGDQW-UHFFFAOYSA-N 395.440 3.595 0 40 GHAB CN1CCc2nc(NC(=O)COC(c3ccccc3)c3ccccc3)sc2C1 23608398 STUMUUQFNHXHPM-UHFFFAOYSA-N 393.512 3.876 0 40 GHAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1 24050914 RLVDNRNPSIGFGI-UHFFFAOYSA-N 375.350 3.743 0 40 GHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24135986 APCXIAZBVOJUPQ-UHFFFAOYSA-N 390.405 3.598 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 25936079 RZOXZHHTQHGJSU-RTWAWAEBSA-N 394.471 3.790 0 40 GHAB CCOc1ccccc1C(=O)NCC(=O)N(CC)Cc1ccc(Cl)s1 26859804 UKCGQOKQQWRKFG-UHFFFAOYSA-N 380.897 3.579 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccccc2)cc1 28208446 MKCQNDYXNZUELS-QGZVFWFLSA-N 388.533 3.527 0 40 GHAB O=C(/C=C/c1c(F)cccc1Cl)NCc1ccc(CN2CCOCC2)cc1 29882230 SXTWNHKHCDCDNO-CMDGGOBGSA-N 388.870 3.641 0 40 GHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccc(SC)cc2)nn1 32070352 NKJYVCWBMORHQS-AWEZNQCLSA-N 381.461 3.825 0 40 GHAB C[C@@H]1CCc2c(sc3nc(O)n4nc(COc5ccccc5F)nc4c23)C1 32682173 KUMAVBBQPPNIBJ-SNVBAGLBSA-N 384.436 3.888 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 33029176 KFMPRPVPIKOAIK-UHFFFAOYSA-N 378.453 3.882 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)c1 35596922 YMEOMMRUFWPPFX-QGZVFWFLSA-N 391.427 3.794 0 40 GHAB COc1ccccc1NC1(c2nnnn2-c2ccc(OC)c(OC)c2)CCCC1 35622292 LDMDHUSBMOVNFH-UHFFFAOYSA-N 395.463 3.570 0 40 GHAB COC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1=Cc2ccccc2CC1 40122752 PDZKNWMMJFDCHH-UHFFFAOYSA-N 377.849 3.856 0 40 GHAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 40135154 PEXWGUJULWWFKE-YPMHNXCESA-N 380.366 3.691 0 40 GHAB O[C@H](c1ccccc1)C1CCN(C(=S)Nc2ccc3c(c2)OCCO3)CC1 44103075 XARIOWDYJAHNGO-HXUWFJFHSA-N 384.501 3.600 0 40 GHAB Cc1cc(CNC(=O)N[C@H](C)CCN2CCN(c3ccccc3)CC2)ccc1F 45346044 LUGPBCVSTSAMAU-LJQANCHMSA-N 398.526 3.534 0 40 GHAB COc1ccc(-n2nnc(C(=O)NCc3ccc(C)cc3)c2-c2cccnc2)cc1 49003570 LCRAGUQCQVGBQM-UHFFFAOYSA-N 399.454 3.576 0 40 GHAB CCc1cccc(Nc2c(C(=O)N3CCOCC3)cnc3nc(C)ccc23)c1 49004845 OZBYCGZTRLEMBN-UHFFFAOYSA-N 376.460 3.717 0 40 GHAB Cc1ccc(-c2nnc([C@H]3CCN(c4nccc(C(F)(F)F)n4)C3)o2)cc1 49171308 NECCYNLEDFADKL-ZDUSSCGKSA-N 375.354 3.848 0 40 GHAB biogenic,in-vitro Cc1cc2ncn(C[C@@H](O)CSc3ccc4c(c3)OCCCO4)c2cc1C 51181372 ZNIRWTXJYJJKBT-MRXNPFEDSA-N 384.501 3.968 0 40 GHAB Cc1noc(C2CCN(CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC2)n1 53619521 RAPFPYRINQLUMX-JOCHJYFZSA-N 396.535 3.995 0 40 GHAB Cc1sc2nc([C@@H](C)Nc3cccc(CN4CCOC4=O)c3)[nH]c(=O)c2c1C 56160978 WKBLLMYKNLJJRG-GFCCVEGCSA-N 398.488 3.727 0 40 GHAB Cc1cc(C)c(NC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)c(C)c1 57506205 LXTNAXADPABFNO-UHFFFAOYSA-N 394.450 3.998 0 40 GHAB Cc1cccc(NC(=O)Cn2c(Nc3ccc(F)c(C)c3)nc(C)cc2=O)c1 57507673 XQLZCTSWPNYPNK-UHFFFAOYSA-N 380.423 3.690 0 40 GHAB CN(C[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 58106012 CUHLGWUXVRGATE-MRXNPFEDSA-N 382.888 3.769 0 40 GHAB COc1ccc(Br)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1 62129376 RZXLKQVHFZRFCR-UHFFFAOYSA-N 392.297 3.515 0 40 GHAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)NCCC2=CCCCC2)c1 67246345 IEXQNUINFFGWRX-UHFFFAOYSA-N 394.519 3.919 0 40 GHAB O=C1c2ccccc2[C@@H]2N1c1ccccc1-c1nc(=O)c(-c3cccs3)nn12 69701114 VMIYSNGLHPCYLP-HXUWFJFHSA-N 384.420 3.555 0 40 GHAB Cc1cc(C(=O)NCCn2ccc3ccc(Cl)cc32)c2c(C)nn(C)c2n1 71283920 VORHHBIGVGFRJH-UHFFFAOYSA-N 381.867 3.623 0 40 GHAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN(CC(F)(F)F)C(C)(C)C1 72298217 SSVGATNKGHMNLU-UHFFFAOYSA-N 383.336 3.508 0 40 GHAB CC(=O)N1CCC(N2CCC[C@H]2c2nc(C)cc(Oc3ccccc3F)n2)CC1 72384363 GSIPWOHKWJRXBJ-IBGZPJMESA-N 398.482 3.864 0 40 GHAB C[C@]12CN(Cc3ccccc3C(F)(F)F)C[C@H]1NC(=O)c1ccccc1C2=O 72395022 OPLVPZVJLAWGJS-XLIONFOSSA-N 388.389 3.522 0 40 GHAB COc1cccc2c1ccn2CCNC(=O)c1cccc(Nc2ncccn2)c1 79486645 CKXZCKBOSKIBAG-UHFFFAOYSA-N 387.443 3.614 0 40 GHAB COc1ccc(-c2nsc(NC(=O)Cc3ccc4c(c3)OCCCO4)n2)cc1 80345328 JZLPBOCYAUBHFN-UHFFFAOYSA-N 397.456 3.556 0 40 GHAB Cc1nc(-c2cc(C)n(CC(=O)N[C@H](C)c3c(C)nn(C)c3C)c2C)cs1 89575684 SAWUNJKAMFGZIQ-GFCCVEGCSA-N 385.537 3.765 0 40 GHAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc(C(F)(F)F)cc3)n2)cc1OC 95534291 LQOPNQWUWHHFDR-MRXNPFEDSA-N 392.381 3.946 0 40 GHAB O=C(NCCc1cccc(F)c1F)Nc1ccc(-c2nnc3n2CCCC3)cc1 95958722 RGUBLAUIMBGDCH-UHFFFAOYSA-N 397.429 3.924 0 40 GHAB Cc1noc(CCCC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)n1 96001308 GYADJVYZEQSQSQ-KRWDZBQOSA-N 395.463 3.895 0 40 GHAB O=C(C[C@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21)N1CCOCC1 96052798 RYBDPVDWMBGRJT-FQEVSTJZSA-N 394.515 3.550 0 40 GHAB O=C(c1ccco1)N1CC[C@H](c2ccn(C[C@H]3CCCO3)n2)c2ccccc21 96260812 DMRYAIBOEWGLLV-SJORKVTESA-N 377.444 3.838 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C)CC2)on1 100743957 VKXXBBFFXCIHKQ-MXASKKJJSA-N 397.523 3.552 0 40 GHAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 101698169 SFOYQYCGDBJZLF-OFQRWUPVSA-N 384.863 3.549 0 40 GHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COCC(=O)Nc1cccc(Cl)c1Cl 103142375 UDHRNHSAWUGIFW-MBNYWOFBSA-N 387.307 3.889 0 40 GHAB CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OC(=O)c1cccc(C)c1 103721314 UOGLYMDFBCVKJT-BOPFTXTBSA-N 383.425 3.937 0 40 GHAB O=C(NCCn1ccn2nc(-c3ccco3)cc12)c1ccccc1Br 206750356 FQFOBGXKIBYOCK-UHFFFAOYSA-N 399.248 3.588 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc(S(C)(=O)=O)cc1 219074750 QCNSQNHCXUKZFX-APWZRJJASA-N 389.517 3.742 0 40 GHAB COC(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)o1 222547873 KHNXGKFKZMVROV-UHFFFAOYSA-N 375.812 3.580 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 223460851 PDVYCKBFUWWJOO-IBGZPJMESA-N 396.531 3.880 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 223469061 JAHQUTURBVCYJQ-IBGZPJMESA-N 396.531 3.880 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(CN2CCCCCC2)cc1 225272635 XRVQRFPJWQRCPP-HXUWFJFHSA-N 380.488 3.632 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 225554281 VHHBAIMKILXWMY-HNNXBMFYSA-N 390.886 3.964 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)NCC2CCN([C@H]3CCSC3)CC2)cc1 225571040 BTGMHIQAQFCTAW-IBGZPJMESA-N 390.593 3.697 0 40 GHAB O=C(NCCc1cnc(-c2ccccc2)nc1)c1ccccc1Br 225592723 GIYVHGSXPQFJQC-UHFFFAOYSA-N 382.261 3.879 0 40 GHAB O=C(c1cc(Br)cs1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225677246 DGXSQNWZOWMGLU-NSHDSACASA-N 380.263 3.869 0 40 GHAB CC(C)(C)NC(=S)Nc1nc(N2CCCCCC2)cc(C(F)(F)F)n1 225896537 YHJMTZGHGXCAIK-UHFFFAOYSA-N 375.464 3.961 0 40 GHAB Cc1cc(C)nc(Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)n1 225913924 PGXGLBVBTGADJD-UHFFFAOYSA-N 387.487 3.799 0 40 GHAB Cc1ccc(C)c(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c1 225950551 VXENXPAWZOQASU-KRWDZBQOSA-N 380.897 3.576 0 40 GHAB O=C(NCc1ncc[nH]1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 257228407 FTSLQQPPVQABJG-UHFFFAOYSA-N 393.462 3.872 0 40 GHAB Cc1cccnc1C(=O)N1CCC(Cc2cc(-c3c(C)noc3C)ncn2)CC1 257254289 KCMFUEICMKIESX-UHFFFAOYSA-N 391.475 3.547 0 40 GHAB CN(C)c1ncccc1CN1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1 257337503 YTAUAGXEDVVGSD-QFIPXVFZSA-N 392.478 3.922 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NCc1nccnc1-c1ccco1 390830526 LPBFSRBYKZADHJ-UHFFFAOYSA-N 378.215 3.739 0 40 GHAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 575611862 YRLHQQKNHBZHDY-HXUWFJFHSA-N 398.528 3.571 0 40 GHAB O=C(c1ccccc1SC(F)F)N1CCC[C@H](Oc2ncc(F)cn2)C1 575613213 PQYAMPGGLHGMJT-LBPRGKRZSA-N 383.395 3.614 0 40 GHAB CCOc1ccc(C(=O)N2CCc3ncc(-c4ccccc4OC)n3CC2)cc1 585111360 QIJOGUKRWBNTOI-UHFFFAOYSA-N 391.471 3.656 0 40 GHAB Cc1cc(CN2CCc3oc(C(=O)N4CCC(F)(F)CC4)nc3C2)ccc1F 585113077 YWRUGNQHQSGFCF-UHFFFAOYSA-N 393.409 3.552 0 40 GHAB Cc1cc(O)c(-c2c(-c3ccc(C(C)C)cc3)[nH]c3nc(O)nc(O)c23)c(=O)o1 604405594 RNHFNUODCCZYPG-UHFFFAOYSA-N 393.399 3.794 0 40 GHAB biogenic Cn1ncc(C2CCC2)c1C(=O)NCc1cc2cccnc2cc1Br 612683105 KETGPAOILJPPRD-UHFFFAOYSA-N 399.292 3.928 0 40 GHAB O=C(NCC1(Cc2ccccc2)CCCCC1)[C@@H]1CCCN1c1ncccn1 613818910 HCNXCHSDZVNSOQ-FQEVSTJZSA-N 378.520 3.755 0 40 GHAB COC1(C(F)(F)F)CCN(C(=O)Nc2csc(-c3ccccn3)n2)CC1 669153582 RCYOLLXIRHCAIV-UHFFFAOYSA-N 386.399 3.780 0 40 GHAB O=C1CCCC[C@]2(CN(C(=O)CCc3ccc(F)cc3)C[C@H]2c2ccccc2)N1 1848352606 XYRAMZGOSUXMLV-XUZZJYLKSA-N 394.490 3.813 0 40 GHAB O=C(NCc1ccc(F)c(Cl)c1)[C@H]1CCC(=O)N1Cc1ccccc1Cl 1888921691 FQFYMKTZYGDRDQ-QGZVFWFLSA-N 395.261 3.940 0 40 GHAB Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(OCC(F)(F)F)nc1 47320076 HMGGELWRCPBVHS-UHFFFAOYSA-N 378.310 3.633 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)cc1Cl 787026 PZPGYWRXUVEBLF-UHFFFAOYSA-N 388.880 3.880 0 40 GHAB CCc1cccc(CC)c1NC(=O)CSc1nnnn1-c1ccc(C)cc1 917158 VOGQFLAHTGMYAC-UHFFFAOYSA-N 381.505 3.826 0 40 GHAB COC(=O)c1ccoc1COC(=O)c1ccccc1NC(=O)c1cccc(C)c1 23453480 RFBKXMDQNOYJDP-UHFFFAOYSA-N 393.395 3.984 0 40 GHAB O=C(NCc1ccccc1)c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 2969858 GLOIQMLRKLHUJZ-UHFFFAOYSA-N 387.464 3.978 0 40 GHAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 7604491 FUPBGUQEFOJMBY-UHFFFAOYSA-N 398.406 3.707 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 7642180 HOIIHQWMRYSRGC-UHFFFAOYSA-N 388.467 3.985 0 40 GHAB COc1cc([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c(OC)cc1N 24927149 BMLFOCKQKXBHOO-MRXNPFEDSA-N 384.379 3.694 0 40 GHAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Cl)c1)C1=C(O)CC(C)(C)CC1=N2 102675895 HSURYKWNFGELLW-OAHLLOKOSA-N 399.878 3.588 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3sc(C)nc3C)o2)cc1 12753144 JGMFEWOLPGIGTO-SNVBAGLBSA-N 390.490 3.938 0 40 GHAB CC[C@H](C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1)c1ccccc1 58251167 FKSIFAOGYKNEGY-INIZCTEOSA-N 376.478 3.589 0 40 GHAB Cc1ccc(C(=O)COC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c(C)c1 51353958 CSRZCTUPHDIQMJ-MLGOLLRUSA-N 395.381 3.847 0 40 GHAB Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)cc1 102593613 OVUWNCFGSFNZFK-HJEMKOJISA-N 398.462 3.805 0 40 GHAB Cc1nc(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)sc1CC(N)=O 58379177 CVKUBIKBRZKTQG-NZWMYCLXSA-N 378.563 3.745 0 40 GHAB COc1ccc(CN(C(=O)Cn2ccc(C(F)(F)F)n2)[C@H](C)C2CC2)cc1 58642812 YAUSXHTWYNXDOZ-CYBMUJFWSA-N 381.398 3.738 0 40 GHAB Cc1cccc(C)c1Nc1nnc(SCc2ccc(Cl)cc2)n(N)c1=O 28535530 CZQMKLFIKNYKLD-UHFFFAOYSA-N 387.896 3.658 0 40 GHAB O=C(CCCSc1ccc(Cl)cc1)N1CCN(Cc2ccncc2)CC1 23702375 VJUICONCRIGVTA-UHFFFAOYSA-N 389.952 3.952 0 40 GHAB C[C@H](C(=O)O)N1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O 2358036 OFXIOHNQQYTAGU-GPLLRDDGSA-N 383.425 3.775 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C)n(Cc2ccccc2)n1 28246533 SGKRUDGITASMPS-CQSZACIVSA-N 391.397 3.963 0 40 GHAB COc1ccc(OC)c(NC(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)c1 12852580 MFVJCAMPTPBMMY-UHFFFAOYSA-N 391.471 3.913 0 40 GHAB CCn1ncc2c(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc(-c3ccccc3)nc21 12831979 TXNXDEMIVUFMCY-UHFFFAOYSA-N 398.426 3.540 0 40 GHAB NC(=O)NCCCC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 2620476 MECPFLQMBYKKDB-MRXNPFEDSA-N 398.894 3.518 0 40 GHAB Cc1ccc(C)c(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1 12996950 BJNVMTHHFUJOMW-UHFFFAOYSA-N 378.519 3.792 0 40 GHAB COc1ccc(CCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1OC 27998487 CPYLLASXSBTJBC-UHFFFAOYSA-N 393.487 3.919 0 40 GHAB CC(C)CCNC(=O)NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12900822 PWOPQFVTLURAGR-UHFFFAOYSA-N 398.488 3.854 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3cc(Cl)ccc3o2)c1 13624695 LQFOEALKXGBXAU-UHFFFAOYSA-N 387.775 3.912 0 40 GHAB CCCN(CCC)C(=O)CCC(=O)N[C@@]1(C(F)(F)F)CCc2ccccc21 96005885 QRQUCHQFBOHZCN-IBGZPJMESA-N 384.442 3.935 0 40 GHAB CC(C)n1nnnc1SCC(=O)N1c2ccccc2CCc2ccccc21 25460653 QAIJDGHRZNMHAD-UHFFFAOYSA-N 379.489 3.810 0 40 GHAB Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccccc4F)s3)CC2=O)cc1 13944272 DVQNQAWNWLPGLC-ZDUSSCGKSA-N 396.447 3.758 0 40 GHAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)CC1 6309036 XORAHXAINRTNSF-RMKNXTFCSA-N 390.530 3.821 0 40 GHAB COc1ccc(Nc2cnn(-c3nc4ccccc4n3C)c(=O)c2Cl)cc1 5452063 RCPUORRUVNAFNV-UHFFFAOYSA-N 381.823 3.525 0 40 GHAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H]2CCCO2)cc1 9336881 RGHOGCGFGYJXED-HXUWFJFHSA-N 391.471 3.516 0 40 GHAB Cn1nc(C(=O)Nc2ccccc2SCC(F)(F)F)c2ccccc2c1=O 14900908 YABYHWOHIVJFPC-UHFFFAOYSA-N 393.390 3.840 0 40 GHAB COCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1 4816549 ZMDJJGUKRXUIOB-MOPGFXCFSA-N 396.878 3.954 0 40 GHAB Cc1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)c(Cl)c1 4852422 LVCPPCZHICOJBA-UHFFFAOYSA-N 376.247 3.776 0 40 GHAB O=C(NCc1ccc(F)c(Cl)c1)c1[nH]nnc1Nc1cccc(Cl)c1 67284088 VJQGGSSZXMUAPN-UHFFFAOYSA-N 380.210 3.924 0 40 GHAB Nn1c(SCc2cccc(Cl)c2)nc2ccc(Br)cc2c1=O 71768774 GVAYRMPGWDPTEW-UHFFFAOYSA-N 396.697 3.819 0 40 GHAB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N1CCCCC1 22274180 OQFYPWNWKJFCPF-UHFFFAOYSA-N 392.908 3.548 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1nnc2sc3c(c2c1=O)CCCC3 7995147 WGEMSQYUWKMRAJ-JTQLQIEISA-N 388.880 3.585 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)c1 16644039 HKBMTKVHFXAELQ-UHFFFAOYSA-N 395.488 3.903 0 40 GHAB CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1F 8170891 RXSCWPWBSUQKNU-UHFFFAOYSA-N 377.847 3.551 0 40 GHAB CC(C)c1ccc(-c2csc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)n2)cc1 71824339 BBEULSCXFLWMSI-ZDUSSCGKSA-N 378.519 3.697 0 40 GHAB CC(C)=C[C@H]1[C@@H](C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)C1(C)C 69740088 ALCQNXZRLCIPBU-PXNSSMCTSA-N 385.504 3.818 0 40 GHAB Cn1cc(N2CCC[C@H](N[C@@H](c3ccc(Br)cc3)C3CC3)C2)cn1 95946419 GIBBAZVXLDNFTF-PKOBYXMFSA-N 389.341 3.892 0 40 GHAB COc1cc(NC(=S)NC(C)=O)ccc1NC(=O)c1cc2ccccc2o1 408628444 UABJCVZVUCBQAN-UHFFFAOYSA-N 383.429 3.527 0 40 GHAB O=C(C[C@@H]1Cn2c(nc3ccccc32)NC1=O)Nc1ccc(Cl)c(Cl)c1 1548338190 CJHILQSXFAQVNB-SNVBAGLBSA-N 389.242 3.940 0 40 GHAB COc1ccc(S[C@H](C)C(=O)NCc2ccccc2-n2ccnc2C)cc1 22531725 DPAJSRGJSPCNLJ-OAHLLOKOSA-N 381.501 3.986 0 40 GHAB COc1cc(/C=C/C(=O)N(C)CCOc2ccc(Cl)cc2)cc(OC)c1 24989736 SHRVJPGLZOOBET-RUDMXATFSA-N 375.852 3.908 0 40 GHAB CC(C)Oc1ccc(N2C[C@@H](C(=O)NCCCCc3ccccc3)CC2=O)cc1 408706947 FNWRWGXFFOXHRM-FQEVSTJZSA-N 394.515 3.966 0 40 GHAB NC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 1448021 KSCNSDSEJHTZLA-UHFFFAOYSA-N 397.736 3.996 0 40 GHAB biogenic CCN(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 39986754 ZVDYXIOINMXREE-UHFFFAOYSA-N 380.897 3.606 0 40 GHAB O=C(/C=C\c1cccs1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70655865 ZXEGNKZVAGLPQI-HJWRWDBZSA-N 376.485 3.567 0 40 GHAB COc1ccccc1Oc1nccnc1[C@H]1CCCN(Cc2cnn(C)c2C)C1 72362580 RWANXUGWLQWSRB-KRWDZBQOSA-N 393.491 3.699 0 40 GHAB O=C(O)C[C@@H](CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 223107226 UWVQRFDWFJTOCL-CYBMUJFWSA-N 375.808 3.698 0 40 GHAB Cc1ccc(CNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 222529956 USVZTKFSVSKCLO-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB Cc1c(Cl)cccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222492991 LGLKCCVRYKSLLO-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB CCOC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(Cl)cc1 224702044 ZXGHDRAFILHORE-UHFFFAOYSA-N 381.881 3.661 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 225062085 NSBTYLWQNMIYEF-FQEVSTJZSA-N 380.532 3.832 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 223282872 FFTZZYCYNKRSNA-KRWDZBQOSA-N 388.533 3.509 0 40 GHAB Cc1cnc(C2CCN(C(=O)Nc3cccc([C@@H]4CCC(=O)N4)c3)CC2)s1 573345464 ZYWKSCIDZXHJKS-KRWDZBQOSA-N 384.505 3.814 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 225071352 QKAWQZWKMMVDFB-HXUWFJFHSA-N 380.532 3.832 0 40 GHAB O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCc2cc(Br)ccc21 225860519 FACYHTMROREVCZ-UHFFFAOYSA-N 395.256 3.523 0 40 GHAB CCOc1cc(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)ccc1O 199427130 YONZVWOWKXLTMI-IBGZPJMESA-N 382.504 3.633 0 40 GHAB CCOC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(SC)cc1 224981143 RDSDQOZFFNFYKP-UHFFFAOYSA-N 393.530 3.784 0 40 GHAB CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 223304186 KSMDJCZYDCPKAO-YTQUADARSA-N 384.549 3.790 0 40 GHAB O=C(c1cnc2ccccc2n1)N1CCC(c2nc3c(s2)CCCC3)CC1 582900622 QXOFXIQKQJGDMW-UHFFFAOYSA-N 378.501 3.985 0 40 GHAB Cc1ccc(CN2CC[C@]3(COCc4cnc(NCc5ccco5)nc43)C2)cc1 96244216 APVFIBFGZWYLJB-HSZRJFAPSA-N 390.487 3.664 0 40 GHAB CCOc1c(Cl)cc(NC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)cc1Cl 584225062 YZLAZJMHIPEOCH-GTNSWQLSSA-N 389.279 3.804 0 40 GHAB COc1ccccc1CCCNc1cc(-c2cc(CC(C)C)nn2C)nc(N)n1 257319083 VQPULOULUNNTGX-UHFFFAOYSA-N 394.523 3.711 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NC[C@H](c1ccoc1)N1CCSCC1 253394081 ACCWAADYQGIZTF-DUMMIQTOSA-N 376.909 3.853 0 40 GHAB COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(OC)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257216353 CUELFYGKZZJNSG-ZHXYCXGVSA-N 375.509 3.873 0 40 GHAB O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)Nc1cc[nH]n1 683147951 XJDRLCORDZDUMS-UHFFFAOYSA-N 398.263 3.936 0 40 GHAB Cc1nc2ccccc2nc1N1CC[C@@H](Oc2ccncc2Br)C1 1775974766 PEBDCHVGQBRFOM-CYBMUJFWSA-N 385.265 3.753 0 40 GHAB COc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2cccs2)cc1 5002128 WTXNANJIDIOBBI-UHFFFAOYSA-N 380.429 3.909 0 40 GHAB CCc1ccc2[nH]c3nc(SCC(=O)N4[C@H](C)CCC[C@H]4C)nnc3c2c1 5678630 FRURKLJZUSWMOQ-CHWSQXEVSA-N 383.521 3.950 0 40 GHAB COCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)cc1 12088041 PUDPHEAMMLIGIG-LJQANCHMSA-N 375.472 3.983 0 40 GHAB Cn1nc(C(F)(F)F)cc1[C@H]1CCCCCN1C(=O)c1c(Cl)cnn1C 12119644 GNONYNAXLGKILL-LLVKDONJSA-N 389.809 3.583 0 40 GHAB C[C@H](C(=O)Nc1cccc2c1CCCC2)n1nc(-c2cccs2)cc(N)c1=O 12181241 FWVYFOUYRKFOPC-CYBMUJFWSA-N 394.500 3.633 0 40 GHAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)CCCC2 12330237 OXSDXEJQZORRNL-DHIUTWEWSA-N 393.527 3.950 0 40 GHAB CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712403 LSQQBWJWILDOLC-SFHVURJKSA-N 398.956 3.891 0 40 GHAB O=C(NCc1cc(-c2ccc(F)cc2F)on1)C(=O)c1c[nH]c2ccccc12 17200793 OOUZXCXLDYBETH-UHFFFAOYSA-N 381.338 3.600 0 40 GHAB Cc1ccc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)o1 19216572 LTQUXMGWIFTPDE-XMSQKQJNSA-N 399.510 3.898 0 40 GHAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCn2ccnc2C)cc1OC 19288066 MITHARGOEQXFAR-PTRHGPIFSA-N 397.519 3.687 0 40 GHAB O=C([C@H]1CCCO1)N1CCc2onc(Nc3cccc(C(F)(F)F)c3)c2C1 19330764 NCAURUQBULKVAZ-OAHLLOKOSA-N 381.354 3.501 0 40 GHAB CN1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccc3c(c1)CC(C)(C)O3)C2 19461746 LQCXFSSSFHKZID-OAQYLSRUSA-N 392.547 3.905 0 40 GHAB CCc1[nH]c(=O)c(C(=O)N[C@H](c2ccncc2)c2ccc(C)c(C)c2)cc1C 19521466 MHAOISWEXVLDQW-OAQYLSRUSA-N 375.472 3.777 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3nc(-c4ccccn4)cs3)nn2C)cc1 19664002 HKYIXKXCOWDIGB-UHFFFAOYSA-N 391.456 3.867 0 40 GHAB Cn1cc(CCNC(=O)c2cccc(Nc3ncccn3)c2)c2cc(F)ccc21 19716323 ZKVNZVPFRPCNTI-UHFFFAOYSA-N 389.434 3.824 0 40 GHAB CCn1ncc(-c2cc(C(=O)NCCc3nc(C(C)(C)C)cs3)on2)c1C 19719066 MZDYFRVKRAGDHC-UHFFFAOYSA-N 387.509 3.593 0 40 GHAB COc1cc(/C=C/C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccccc1C 956389 CGUJRCPDVLIZSD-XETPZZHUSA-N 381.472 3.891 0 40 GHAB CCOc1ccc(NC(=O)c2ccc(I)cc2)c(N)c1 226347121 ILVMVSVKPXFUIC-UHFFFAOYSA-N 382.201 3.524 0 40 GHAB COCCC(=O)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 643550724 NSVIDHCNVADLIV-HNNXBMFYSA-N 398.894 3.792 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@]1(O)CCCc2sccc21 1889240336 BTTVHROSQMDXCC-LJQANCHMSA-N 379.909 3.899 0 40 GHAB O=C(CCc1c[nH]c2ccccc12)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 244947604 DSSBOCLVBQNLDJ-PMACEKPBSA-N 386.455 3.893 0 40 GHAB O=C(c1ccccc1Cl)N1CC[C@H]2[C@@H](COCCN2c2ccc(F)cc2)C1 2037985848 YMSFRZNJDINBBX-QRWLVFNGSA-N 388.870 3.847 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccs3)s2)cc1 4077771 UDUFSOOTFPAHER-UHFFFAOYSA-N 390.515 3.891 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc3n2CCN3c2ccc(C)cc2)cc1 9651575 CTNDASBGATYDHP-UHFFFAOYSA-N 379.489 3.777 0 40 GHAB O=C(NCCOc1ccc(-c2ccco2)nn1)c1cccc(C(F)(F)F)c1 10324627 UVOXRISBWILQBM-UHFFFAOYSA-N 377.322 3.564 0 40 GHAB O=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)NC1CCCC1 11695005 AXWGQYQAFFHWJV-UHFFFAOYSA-N 378.494 3.859 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)NCCC1=CCCCC1 15391336 YAQMKTJKUHOFRV-QGZVFWFLSA-N 396.578 3.688 0 40 GHAB CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=S)NC2CCCCC2)CC1 22785100 FHZWVYZVDJZMJA-QFBILLFUSA-N 394.654 3.612 0 40 GHAB CC(C)n1nccc1-c1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1 38871534 GNUSTNAWOWLYJQ-UHFFFAOYSA-N 396.234 3.838 0 40 GHAB O=S(=O)(c1c(F)cccc1F)N1CCC(COCc2ccccc2)CC1 49028935 KHNYRCZHCVNIOK-UHFFFAOYSA-N 381.444 3.582 0 40 GHAB CCCC(=O)Oc1ccccc1N(C(=O)CCC)S(=O)(=O)c1ccccc1 5243910 YPVUDWWGHSOWBR-UHFFFAOYSA-N 389.473 3.914 0 40 GHAB COC(=O)Cn1/c(=N/C(=O)c2cccc3ccccc23)sc2ccccc21 100876318 XPAVNYWGWSCOFQ-DQRAZIAOSA-N 376.437 3.770 0 40 GHAB CCOc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 101085181 DYNOSTCVFRMHPW-LAUBAEHRSA-N 382.416 3.642 0 40 GHAB CCOc1ccc(-c2noc(-c3c[nH]c4ccc(C)cc4c3=O)n2)cc1OC 57354774 BLXOGUXOZUVNCE-UHFFFAOYSA-N 377.400 3.961 0 40 GHAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 101181911 BTAXHRMUPDJBLR-KHJUXNSNSA-N 384.657 3.547 0 40 GHAB COC(=O)c1ccc(NC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 20745125 VWHGKZBQSFSPSE-UHFFFAOYSA-N 381.432 3.743 0 40 GHAB COc1ccc(CCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1OC 20719849 UVKJWFQRMASUSC-UHFFFAOYSA-N 382.435 3.842 0 40 GHAB O=S(=O)(c1ccc(Cl)s1)N1CCC(CN2CCCCCC2)CC1 32927498 CWBGGLJXVVDBBV-UHFFFAOYSA-N 376.975 3.678 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 692081 UGAXAEVUSXHIIN-GFCCVEGCSA-N 398.887 3.737 0 40 GHAB C[C@H](NCc1cc(Br)c2c(c1)OCO2)c1ccc2c(c1)OCCO2 22774896 XGFSUMJPUQTRJF-NSHDSACASA-N 392.249 3.800 0 40 GHAB C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccccc2F)CC1 22801882 FKMRPSZGRPRWPP-HNNXBMFYSA-N 384.430 3.894 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)c1 780457 USJLEPOXOGMWCD-UHFFFAOYSA-N 382.460 3.503 0 40 GHAB COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1 867157 NLMBUVDKJOOKRK-KRWDZBQOSA-N 387.892 3.780 0 40 GHAB COC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C1CCCCC1 905080 MFWZPRITPPJVAF-UHFFFAOYSA-N 378.473 3.800 0 40 GHAB Cc1cccc2cc(CN(CCc3ccccc3)C(=O)C3CCC3)c3nnnn3c12 1376830 BVBRSYLKUJUXBK-UHFFFAOYSA-N 399.498 3.957 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2cnn(-c3ccncc3)c2)c1 78974927 IOYSLGHHZPNFQG-IBGZPJMESA-N 393.447 3.654 0 40 GHAB Cc1ccc(NC(=O)c2sc3nc(-c4ncccn4)[nH]c(=O)c3c2C)c(C)c1 54753245 MEOLJTOEGKCEJM-UHFFFAOYSA-N 391.456 3.619 0 40 GHAB CN(C)CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4706236 PPMFMAOFTZHACB-LQPOTRJCSA-N 389.580 3.562 0 40 GHAB in-vitro COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C(N)=O)CCC2 6641025 YNGHWTWYTLNQSU-UHFFFAOYSA-N 385.272 3.903 0 40 GHAB O=C(Nc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 7400030 LRMVRCHCBQPANQ-LLVKDONJSA-N 377.213 3.580 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 7882052 XTPCWXLMBBNVDS-LPHOPBHVSA-N 394.471 3.800 0 40 GHAB CCOc1ccc(N[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 52658827 SOLNWUJGOMNRNT-GOSISDBHSA-N 397.519 3.633 0 40 GHAB O=C(c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O)N1CCCC1 1394300 FDZBYWCZLLTAGI-UHFFFAOYSA-N 384.785 3.805 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c1 55524796 JQLQZTLHMYTOTF-MRXNPFEDSA-N 377.893 3.591 0 40 GHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)CSc1ccccc1Cl 55840554 LJQMACZIRMCIJW-UHFFFAOYSA-N 378.881 3.781 0 40 GHAB CN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2F)[C@H]1c1ccccc1 20427381 WVPYJSSJSQHSOK-SUMWQHHRSA-N 391.240 3.746 0 40 GHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 107348514 LWJGAWYYACFCMU-MZRZTIOWSA-N 375.534 3.957 0 40 GHAB COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 3279871 BVHFSIANUKYMQY-UHFFFAOYSA-N 394.393 3.732 0 40 GHAB Cc1cc(CS(=O)(=O)c2nc(C)c(C)n2[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)no1 108068229 TWBMOZBCAQOWGF-MUQADHOPSA-N 377.510 3.767 0 40 GHAB CCCn1c(SCC(=O)N(C)C2CCCCC2)nc2ccsc2c1=O 57478505 LLNYCVIHVHXXKA-UHFFFAOYSA-N 379.551 3.751 0 40 GHAB CCOc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)c1 57416420 CTYVMBSBYIHYAG-CQSZACIVSA-N 390.842 3.547 0 40 GHAB COc1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1 58279279 NCDRHWFZRKZBRL-UHFFFAOYSA-N 377.448 3.892 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(Cc3c(C)noc3C)o2)c1 28243607 RTOLIYQPBMDNEH-GFCCVEGCSA-N 384.432 3.983 0 40 GHAB CC(C)[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)no1 58244434 ZZNUMMFUEBUULT-GOSISDBHSA-N 394.431 3.662 0 40 GHAB COc1ccc(C2=NN(C(=O)CN[C@@H](C)c3ccco3)[C@H](c3ccco3)C2)cc1 12772955 HOHPVAPRNMPMIN-KXBFYZLASA-N 393.443 3.910 0 40 GHAB CCn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2cc(F)cc(F)c21 100909223 XWJXFXFPJBGGKC-UZYVYHOESA-N 378.400 3.759 0 40 GHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(N2CCOCC2)cc1 58415914 HYYJGXRMOKEMHQ-UHFFFAOYSA-N 390.443 3.666 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 20038847 JISUADAZFWBWQP-GOSISDBHSA-N 388.533 3.564 0 40 GHAB O=C(NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(F)cc1 2248109 AGDNHIOSIUQNAZ-UHFFFAOYSA-N 391.431 3.686 0 40 GHAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc2cc(Cl)ccc2o1 29476022 GNPZRWRUURSNKJ-NSHDSACASA-N 392.864 3.567 0 40 GHAB Cc1cc(O)c(CN2CCC[C@H]2C(=O)O)c2c1C(=O)/C(=C/c1ccc(F)cc1)O2 57312343 QIZQIPIWBKNXQT-PMFHANACSA-N 397.402 3.505 0 40 GHAB CCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(SC(F)(F)F)cc1 12861762 YNFOEBUVTOXUJJ-JOZWUWCOSA-N 386.439 3.829 0 40 GHAB CCc1cccc(C)c1N(COC)C(=O)Cn1c([C@H](C)O)nc2ccccc21 27792424 FUGZORVSOATEIU-INIZCTEOSA-N 381.476 3.598 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1OC 12894496 LACDBUSNRCDZQL-SFHVURJKSA-N 381.881 3.787 0 40 GHAB O=C(CCCSc1nc2ccccc2[nH]1)N1CCN(c2ccccc2)CC1 2623456 FSHFMZDMSPSEAZ-UHFFFAOYSA-N 380.517 3.784 0 40 GHAB COc1cc(C(=O)Oc2ccc(-c3ccc(F)cc3)nn2)cc(OC)c1OC 10127756 AUGOUBWLUZVLDX-UHFFFAOYSA-N 384.363 3.528 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)[C@H](C)N1c2cccc3cccc(c23)S1(=O)=O 10449879 NDYDVNNGVLVNFE-GJZGRUSLSA-N 392.480 3.715 0 40 GHAB O=C(NCC(=O)N1CCc2sccc2C1)c1sc2ccccc2c1Cl 12216151 ZWMRHKTYSYVAMJ-UHFFFAOYSA-N 390.917 3.931 0 40 GHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCN(Cc2ccncc2)CC1 46961444 DDEXHYXVNGVUJC-LJQANCHMSA-N 382.508 3.524 0 40 GHAB COc1cccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)c1 3423880 WQRIBKWTGBBDNG-RSPDNQDQSA-N 389.835 3.941 0 40 GHAB COCCn1c(C)cc(C(=O)COC(=O)c2cc3ccccc3cc2O)c1C 3537683 YWDGVSGNOTVDNI-UHFFFAOYSA-N 381.428 3.650 0 40 GHAB COc1ccc(OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(C(C)=O)c1 12998590 DXWCLIPCBBZDEG-LRYXAPPNSA-N 385.504 3.998 0 40 GHAB COC(=O)C1(NC(=O)CCc2ccc(-c3ccc(OC)cc3)o2)CCCCC1 12939955 VJPQRARSNPVIFM-UHFFFAOYSA-N 385.460 3.880 0 40 GHAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(C(F)(F)F)nn1 96006619 XCQWCHHAGHAUJM-UHFFFAOYSA-N 380.301 3.861 0 40 GHAB COc1ccc(OCCn2c(C(F)(F)F)nc3cc4c(cc32)OCCO4)cc1 64814457 IPDBXMMSPRJQRB-UHFFFAOYSA-N 394.349 3.914 0 40 GHAB Cc1ccc(N2C(=O)N(c3ccccc3Cl)[C@@H]3CS(=O)(=O)C[C@H]32)cc1C 4393484 BVEMVJDBQMLNOC-QZTJIDSGSA-N 390.892 3.569 0 40 GHAB Cc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c(C)c1 5558618 AVLJYNHXRPOXAY-UHFFFAOYSA-N 391.448 3.933 0 40 GHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1cccc(C(F)(F)F)c1 6651693 SWGSKONVMDJSCF-UHFFFAOYSA-N 391.437 3.947 0 40 GHAB NC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CCCC2 5897833 IYDUHBPEAJPSCC-UHFFFAOYSA-N 390.333 3.674 0 40 GHAB COc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 67299190 AINDAYHYYYUPFN-GYHWCHFESA-N 390.395 3.902 0 40 GHAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)/C=C/c2cc3ccccc3o2)c1 95462379 VILUSNOFIZFJJB-VQHVLOKHSA-N 386.411 3.678 0 40 GHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccsc1 7230656 HIHDETKIZVVBKB-UHFFFAOYSA-N 376.434 3.940 0 40 GHAB Cc1nnc(CSc2nc3ccccc3c(=O)n2-c2ccc(C)c(C)c2)o1 7755337 KFQBHFCSTIGWNP-UHFFFAOYSA-N 378.457 3.986 0 40 GHAB O=C(CN(Cc1ccco1)C(=O)COc1ccccc1Cl)Nc1ccccc1 16182788 WLOGFWDDANPRHE-UHFFFAOYSA-N 398.846 3.979 0 40 GHAB Cc1ccccc1CC(=O)OCC(=O)Nc1ccc(Br)cc1F 7863396 QTTXDNMGBNQXKS-UHFFFAOYSA-N 380.213 3.621 0 40 GHAB CCc1cc2c(SCC(=O)N3CCC(c4ccccc4)=N3)ncnc2s1 7975789 PVCFVBZWPPPDIB-UHFFFAOYSA-N 382.514 3.982 0 40 GHAB Cc1c(NC(=O)COc2ccccc2C(C)(C)C)c(=O)n(-c2ccccc2)n1C 8049584 XKSLKRBHSADLFR-UHFFFAOYSA-N 393.487 3.799 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)c3cc(Br)ccc3F)cc2NC1=O 8015493 JJVWPWJEEMEMJF-QMMMGPOBSA-N 379.185 3.560 0 40 GHAB COc1ccccc1-n1c(S[C@@H]2C[C@@H](C)OC2=O)nnc1-c1cccs1 8191346 IGORXLBEFZEHLG-IAQYHMDHSA-N 387.486 3.801 0 40 GHAB CC(=O)NCCc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 8749428 GJFGBJSTGRZFTN-UHFFFAOYSA-N 399.447 3.529 0 40 GHAB Cc1csc([C@H](OC(=O)[C@H]2CCCN(CC(F)(F)F)C2)C(F)(F)F)n1 95964222 LXUKFEISJPLYLY-UWVGGRQHSA-N 390.349 3.872 0 40 GHAB O=C(O)c1c(I)c2ccccc2n1Cc1ccccc1 62709386 IHIVVFMAOSUJFC-UHFFFAOYSA-N 377.181 3.992 0 40 GHAB COc1ccc(C(=O)Oc2ccccc2/C=C2\N[C@@H]3CCCCCN3C2=O)cc1 27525741 ICWKZBQBTTXPMD-SACXWWFQSA-N 392.455 3.587 0 40 GHAB CN(C)[C@@H](CNc1ccccc1S(=O)(=O)C(F)(F)F)c1cccs1 32829031 JULKSOYHLDFNKP-LBPRGKRZSA-N 378.441 3.756 0 40 GHAB Cc1n[nH]cc1C(=O)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359686 QYNVNSONVMUXLY-UHFFFAOYSA-N 381.867 3.848 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)cc1 32469699 NDPHQSNGNOKCET-UHFFFAOYSA-N 396.468 3.916 0 40 GHAB O=C1N[C@H](CC(=O)N2[C@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)c2ccccc21 72346874 YHHFIEZMHWSCPC-UOLNFUGQSA-N 378.447 3.938 0 40 GHAB CCN1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)c(Cl)cc2N)CC1 72229307 CBPPZXYQFBEGDX-UHFFFAOYSA-N 393.318 3.970 0 40 GHAB COc1ccc2c(c1)S[C@@H](CC(=O)Nc1ccc(OC)c(OC)c1)C(O)=N2 49551875 RTQBLBWQXKHACH-KRWDZBQOSA-N 388.445 3.804 0 40 GHAB CN(Cc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 224074160 YOXSBBZXMYFWML-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB Cc1ccc(OCC(=O)Nc2nn3c(-c4cccc(F)c4)nnc3s2)cc1C 41076543 UWNQKKPKUKUFTO-UHFFFAOYSA-N 397.435 3.626 0 40 GHAB NC(=O)c1cc(Br)c2[nH]c(-c3ccc(Br)cc3)nc2c1 226344598 XZIKDSRIMRWZOR-UHFFFAOYSA-N 395.054 3.854 0 40 GHAB CSc1cccc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 220129397 OIFDIRLNLRGXOY-CQSZACIVSA-N 378.519 3.510 0 40 GHAB CNS(=O)(=O)c1ccc(C)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 222936373 QPVVEMCKYUFKPQ-UHFFFAOYSA-N 394.496 3.674 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)c1 224845674 VPEBDSPYJFFXLX-PMACEKPBSA-N 394.500 3.614 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 222635195 GIUULOKISAUQRE-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB Cc1cc(C(=O)Nc2ccc3c4c(cccc24)CC3)ccc1NS(C)(=O)=O 224088231 CHKPSRZSCNEKIC-UHFFFAOYSA-N 380.469 3.871 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1N(C)S(=O)(=O)c1ccccc1 224297889 UHUJMQOTMVAWMM-INIZCTEOSA-N 386.517 3.692 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)CSc1ccc(OC)c(OC)c1 44842719 HUYKERWFLVVQOZ-UHFFFAOYSA-N 375.446 3.611 0 40 GHAB COC1(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)CCC(C)CC1 225640048 OYYNXPBBFGYIQA-UHFFFAOYSA-N 388.508 3.612 0 40 GHAB Cc1nccn1Cc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1 224804531 PKOVENBAUJONMG-UHFFFAOYSA-N 388.515 3.766 0 40 GHAB O=C(Nc1ccccc1Cl)O[C@H]1COCCN(c2nc3ccccc3o2)C1 96269059 MQVAGDLFBBBCIF-CYBMUJFWSA-N 387.823 3.935 0 40 GHAB biogenic,in-vitro COc1ccc([C@H](CNC(=O)[C@H]2C[C@H]3C=C[C@H]2C32CC2)N2CCCC2)cc1OC 248138606 PLUXIVOCQBOAPH-WCIQWLHISA-N 396.531 3.559 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 242896908 GPGCTHPPZPHEPB-UHFFFAOYSA-N 394.924 3.870 0 40 GHAB C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)c2cccnc2)C1 257239164 HOEPDZCPCIKNHW-JOCHJYFZSA-N 379.435 3.993 0 40 GHAB Cc1nn(-c2ncc(NC(=O)c3ccccc3C(F)(F)F)cn2)c(C)c1C 90584053 NKNBRYWLOOQWIZ-UHFFFAOYSA-N 375.354 3.859 0 40 GHAB C[C@H]1Cc2cc(-c3ccc(CNCc4nnn(C(C)(C)C)n4)cc3)ccc2O1 657418810 LQDGQNDEVQJFJV-HNNXBMFYSA-N 377.492 3.708 0 40 GHAB COc1ccc(C2CCN(C(=O)C[C@@H](n3cccn3)C(F)(F)F)CC2)cc1 611729709 RRUSLPJCMAFBKW-QGZVFWFLSA-N 381.398 3.791 0 40 GHAB O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@@H]1CCc2n[nH]cc2C1 655253818 NWFXPSLFJZNHQJ-CYBMUJFWSA-N 393.409 3.651 0 40 GHAB CCNC(=O)C[C@@H]1CC2(CCN(C(=O)C3CC(C)C3)CC2)c2cc(F)ccc21 585105662 ZTFUYGBQYOVVCR-OFLPRAFFSA-N 386.511 3.746 0 40 GHAB O=S(=O)(Cc1ccc(Br)cc1F)Oc1ccc(F)c(F)c1 58328741 HEMFXWRHHMFIII-UHFFFAOYSA-N 381.169 3.775 0 40 GHAB COc1ccc(NC(=O)N(C)CCOc2ccc(F)cc2)cc1OC(F)F 40104545 RDDHOANEZUDOPX-UHFFFAOYSA-N 384.354 3.978 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)o2)c(OC)c1 5391985 HLGWTSPTAIDTKF-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)c1 12907215 XISMWJKMLLAKGA-INIZCTEOSA-N 397.450 3.899 0 40 GHAB CC(C)(C)c1ccc(CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)cc1 12984187 CGALQZQBXHYJAV-CQSZACIVSA-N 380.535 3.637 0 40 GHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1OCC 13675604 IAJJELWXXPOHGF-CQSZACIVSA-N 379.478 3.532 0 40 GHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NCc2ccccc2F)cc(=O)[nH]1 19285176 ZGDJDFAQOROHCJ-FQEVSTJZSA-N 376.435 3.772 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@H](c2ccc(F)cc2)N(C)C)c(OC)c1 19581581 OYDFBDDHVMLGIT-CTNGQTDRSA-N 386.467 3.809 0 40 GHAB Cc1cc(N2CCN(Cc3ccc4ncccc4c3)CC2)cc([C@@H]2CCCN2)n1 19698042 PRJYUDMVAQQUMQ-QHCPKHFHSA-N 387.531 3.685 0 40 GHAB CNC(=O)c1cn(C)nc1CC1CCN(Cc2cccc(Cl)c2Cl)CC1 19756674 YQWYVFNXHOHONP-UHFFFAOYSA-N 395.334 3.541 0 40 GHAB O=C(O)/C(=C\c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)s1 6431781 KUBVSZWMHTUISS-KAMYIIQDSA-N 397.905 3.811 0 40 GHAB CN(CC1CCN(c2ncc(Cl)cn2)CC1)c1cc(C(F)(F)F)ccn1 1888853318 BJHLPMMWIANWQW-UHFFFAOYSA-N 385.821 3.897 0 40 GHAB O=C(Cc1ccc2c(c1)OCO2)N1CCC(Oc2cccc3cccnc23)CC1 238826821 DYJXXMUZCIYDNF-UHFFFAOYSA-N 390.439 3.576 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(C)cc5)no4)ccn3n2)cc1 16841958 NZPAWLWWIUEJHZ-UHFFFAOYSA-N 397.438 3.878 0 40 GHAB O=C(/C=C/c1cccs1)N1CCC[C@@]2(CC1)CN(Cc1ccoc1)CCO2 2055785414 WPCUZOIZTOAZKA-KTBYTZPXSA-N 386.517 3.638 0 40 GHAB CC(C)N1CC[C@H](N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)C1=O 2086896495 CCCQBVJXZVJLBB-NRFANRHFSA-N 378.520 3.696 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NCc1nccnc1-c1ccncc1 585150663 SGBZNJCSHDJWPU-UHFFFAOYSA-N 389.242 3.541 0 40 GHAB O=c1nc(SCc2csc(-c3ccccc3)n2)c2c(n1CCCO)CCC2 36685804 YNBPOWKPEKNISH-UHFFFAOYSA-N 399.541 3.530 0 40 GHAB O=S(=O)(NCC[C@@H](O)c1cccc2ccccc12)c1cccc(Cl)c1 77117755 YTNHOXZJAJJLAW-LJQANCHMSA-N 375.877 3.895 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCCC2)N(Cc1cccnc1)Cc1ccco1 22844780 PCDITTUQAONKNR-UHFFFAOYSA-N 382.485 3.945 0 40 GHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCN(C(=O)c2ccco2)CC1 30135634 AQPNVMODFRMBGD-UHFFFAOYSA-N 384.520 3.807 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)c1ccc(CSC(F)F)o1)N(C)C 40090999 BZSCAEKEEPQKQB-CQSZACIVSA-N 384.448 3.777 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)cnc3c2)c1 32104868 OZEAVTHYZYFECC-UHFFFAOYSA-N 398.422 3.596 0 40 GHAB C[C@@H](Oc1ccccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)c1ccccc1 102083619 TYNFUDZNYJDQKE-NXHRZFHOSA-N 375.424 3.792 0 40 GHAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(Oc2ccccc2Cl)cc1 32756344 BPDPQDZPGRZNHR-CYBMUJFWSA-N 379.865 3.896 0 40 GHAB O=C(/C=C/c1ccc(-c2ccccc2F)s1)NCCNC(=O)c1ccco1 32753596 OGXHGRKDYLMNJJ-CSKARUKUSA-N 384.432 3.707 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 32999485 XUXJVSTVWBNGQD-UHFFFAOYSA-N 394.427 3.549 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2cccnc2Cl)c(C(=O)OCC)c1C 668914 HBUZNMYFUOTRNM-UHFFFAOYSA-N 396.852 3.711 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(-c2ccccn2)nc2ccccc12 23077369 CSFHYAIBJPQJPD-UHFFFAOYSA-N 381.395 3.719 0 40 GHAB COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCC(C)C)c3N2)c1 884287 SAYQUWDKUXMVQM-HZPDHXFCSA-N 396.413 3.938 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n2C)c1 916553 IFGPMYDMYMWOTR-HOTGVXAUSA-N 388.537 3.584 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Br)cc1Br 1017052 ACBKARFLBWLKTB-BDAKNGLRSA-N 379.092 3.894 0 40 GHAB Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCNC(=O)c1ccnn1C 1087910 VVHKAOSBXNEURJ-UHFFFAOYSA-N 388.471 3.761 0 40 GHAB biogenic,in-vitro CCOC(=O)c1c(N)n(-c2ccc(F)c(F)c2F)c2nc3ccccc3nc12 2228959 CEZBZUACVKVUMO-UHFFFAOYSA-N 386.333 3.750 0 40 GHAB COc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 2635995 AJHATCWEKBAERZ-UHFFFAOYSA-N 376.412 3.528 0 40 GHAB O=C(COc1ccc2oc3ccccc3c2c1)Nc1cccc(-n2cnnn2)c1 24016424 DGCSFFVPMIMUDM-UHFFFAOYSA-N 385.383 3.579 0 40 GHAB Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)CC2)c(C)c1 4543865 PKZPGEZCPWHPSR-FTRFVJLKSA-N 394.515 3.832 0 40 GHAB Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)CC2)c(C)c1 4543868 PKZPGEZCPWHPSR-MVXPTLASSA-N 394.515 3.832 0 40 GHAB O=C1CCCN1c1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 12552555 ZZQBYHNFFFUEON-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O 6629057 IIKPKHAYOIXPLC-GHRIWEEISA-N 390.505 3.912 0 40 GHAB COc1cccc(/C=C/C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1 24866868 IDNIQYHKNFJIJC-MDZDMXLPSA-N 393.512 3.663 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)CSCc1cccc(Cl)c1 8105518 JMVYDIZPKOAKOI-UHFFFAOYSA-N 392.908 3.588 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)COCc2nc3ccccc3s2)c1 8356753 XBAGINBSPCFQLC-ZDUSSCGKSA-N 386.473 3.708 0 40 GHAB COCCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2cc(Cl)ccc2C)n1 8476766 RTDBLXLTHWXUTB-UHFFFAOYSA-N 398.894 3.971 0 40 GHAB COc1ccc(-c2nnc(Nc3ccc(N4CCOCC4)cc3)[nH]2)cc1Cl 8904551 VOJNLELODDWQFP-UHFFFAOYSA-N 385.855 3.714 0 40 GHAB CCCCCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 12521052 WXUPATKZFFGXCG-UHFFFAOYSA-N 392.477 3.720 0 40 GHAB CCOc1ccc(NC(=O)CSc2cc(N3CCC(C)CC3)ncn2)cc1 57505554 WIMLMQKSSUYWFY-UHFFFAOYSA-N 386.521 3.842 0 40 GHAB O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3248228 LBMVHQDMNGLZKQ-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB CCCOc1ccc([C@H]2N[C@@H](C(=O)OC)Cc3c2[nH]c2ccccc32)cc1OC 35828015 NWWCSUHMXMMXGJ-WIYYLYMNSA-N 394.471 3.742 0 40 GHAB biogenic O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 9417775 KIXFHXUVNAUNPK-UHFFFAOYSA-N 391.814 3.784 0 40 GHAB COc1ccc(Cl)cc1NC(=S)N1CCN(c2ccccc2OC)CC1 9877208 YBNXIOSMBUBPLH-UHFFFAOYSA-N 391.924 3.876 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CNc1ccccc1N1CCCC1=O 12632701 RHAYBALMWAJHOO-UHFFFAOYSA-N 387.867 3.834 0 40 GHAB Cc1sc(NC(=O)C(C)(C)C)c(C(=O)O[C@@H](C(N)=O)c2ccccc2)c1C 10373469 YICSVSXAQCGGDK-OAHLLOKOSA-N 388.489 3.733 0 40 GHAB CCc1cc(=O)oc2cc(C)cc(OC(=O)CCCNC(=O)OC(C)(C)C)c12 2150229 KGVVGNFDSXSTEQ-UHFFFAOYSA-N 389.448 3.874 0 40 GHAB biogenic FC(F)(F)c1ccc(Cl)c(-c2nn3c(-c4cnccn4)nnc3s2)c1 36357280 PZUXMAJWBINJER-UHFFFAOYSA-N 382.758 3.982 0 40 GHAB O=C(CC1CCCC1)N1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 58831580 GHYIJJDJHQZIAU-SJORKVTESA-N 388.474 3.996 0 40 GHAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 12754048 QGEGGDUUELFQNO-UHFFFAOYSA-N 387.483 3.545 0 40 GHAB COc1ccc(-c2cc(C(=O)OCC(=O)NC(C)(C)C)c3ccccc3n2)cc1 2629840 JKMJBQAVQNRXRE-UHFFFAOYSA-N 392.455 3.982 0 40 GHAB CC[C@@H](C)NC(=O)COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 2664911 KYRNSQPBLBYREZ-LLVKDONJSA-N 389.452 3.606 0 40 GHAB COc1ccc(-n2c(S[C@H]3CCOC3=O)nnc2-c2cccc(C)c2)cc1 2651119 BXTYJQPYPQKWRL-KRWDZBQOSA-N 381.457 3.659 0 40 GHAB O=C(CCOc1ccc(F)c(Cl)c1)NCc1cnn(Cc2ccccc2)c1 48300063 ZQYZDSKOUIKWPK-UHFFFAOYSA-N 387.842 3.809 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(C)cc2)c(OC)c1 12860523 UQRJPJSSVSPWHP-NRFANRHFSA-N 382.504 3.808 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 12928552 KFBSWLWVXICMGE-CYBMUJFWSA-N 390.472 3.585 0 40 GHAB COc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3F)C1=O)OCO2 409051180 BLQBSJHLILRGON-IDUWFGFVSA-N 387.388 3.800 0 40 GHAB COc1ccc([C@@H](NC(=O)Cc2c(F)cccc2Cl)c2nccn2C)cc1 9154142 BVKWJXYQKCEXKS-LJQANCHMSA-N 387.842 3.670 0 40 GHAB COc1cc(C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1c(C)noc1C 95349557 WZBKITVKYKKZDG-UHFFFAOYSA-N 396.399 3.830 0 40 GHAB CCOc1ccc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1OC 4435256 LLDJMZNTEQUIAZ-UHFFFAOYSA-N 396.531 3.931 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1ccccc1C(=O)O)c1cccc(Cl)c1Cl 4550567 QWKAEISTZIZLBT-CQSZACIVSA-N 396.226 3.726 0 40 GHAB CC(CNC(=O)c1cccc(S(C)(=O)=O)c1)(c1ccccc1)c1ccccc1 14245289 GIBUNFBIOHYUGV-UHFFFAOYSA-N 393.508 3.826 0 40 GHAB Cc1ccccc1-n1nnnc1SC[C@H](O)COc1ccccc1C(C)(C)C 14238497 SIYXTWNHDYOWAO-MRXNPFEDSA-N 398.532 3.800 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2Cl)cc1 9237327 XMNXZKYRQFADIP-IRXDYDNUSA-N 399.907 3.946 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)CC)cc1 19677792 MVGFJAASWIONSL-UHFFFAOYSA-N 389.473 3.689 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)ccc12 9387818 BTYUSHQJROTQKL-SCLBCKFNSA-N 381.428 3.855 0 40 GHAB COC(=O)Cc1c(C)c2cc(Cl)c(OC(=O)C3CCCCC3)cc2oc1=O 4749271 STGBWYGKBIVGHP-UHFFFAOYSA-N 392.835 3.956 0 40 GHAB O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1C1CCCC1)Nc1ccccc1 4738711 FNJFYVSYHPNTDL-LJQANCHMSA-N 377.444 3.795 0 40 GHAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(F)cc1 6744849 QDKBSGNDYAJYMV-NRFANRHFSA-N 395.434 3.893 0 40 GHAB CC[C@@H](C)c1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1OC 27587924 PQISIOZCIREDCR-CQSZACIVSA-N 382.570 3.796 0 40 GHAB O=C(COc1ccc2oc3ccccc3c2c1)NC[C@@H]1COc2ccccc2O1 7156263 MKAJBMNWDXLCDG-MRXNPFEDSA-N 389.407 3.921 0 40 GHAB CCOC(=O)c1oc2ccccc2c1COC(=O)Cc1ccc2c(c1)OCCO2 7442041 LHMIBLHBFKOHFP-UHFFFAOYSA-N 396.395 3.667 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)Cn2cnc3sccc3c2=O)cc1 8074446 PEXUAMRGADXWML-GOSISDBHSA-N 397.500 3.611 0 40 GHAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnnn1C1CC1 8231245 HOHZHSMVKVPKSO-UHFFFAOYSA-N 399.520 3.728 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)C1CCN(C(=O)c2cccs2)CC1 8266045 NJEOICIDVUFJFF-UHFFFAOYSA-N 399.541 3.869 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 9596546 GQNIMRGKSRBHAP-CQSZACIVSA-N 399.921 3.873 0 40 GHAB COc1ccccc1-c1n[nH]c(NC(=O)CCCc2cn(C)c3ccccc23)n1 95477716 YWHNCCVZRSQFPS-UHFFFAOYSA-N 389.459 3.933 0 40 GHAB FC(F)[C@H](CCc1ccccc1)NC[C@@H](c1cccs1)N1CCOCC1 95467432 AJWRVBOUCYTQQD-ROUUACIJSA-N 380.504 3.978 0 40 GHAB Cc1ccc2c(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)coc2c1C 18049232 XGENIGMDCMOSSR-UHFFFAOYSA-N 390.361 3.764 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3cn(Cc4cccnc4)nn3)n2)cc1C 95962072 ABCWQHMSGCJOPF-UHFFFAOYSA-N 390.472 3.714 0 40 GHAB O=C(Nc1cnccc1N1CCCCC1)c1cc(=O)[nH]c2ccc(Cl)cc12 95958973 HHRIAWFNHNKVEY-UHFFFAOYSA-N 382.851 3.819 0 40 GHAB CCCCCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 26120466 KLSUDNWFCDRCSH-UHFFFAOYSA-N 398.594 3.893 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c(C)c1 20034937 KEQXUEXACHYKCR-ZDUSSCGKSA-N 380.897 3.819 0 40 GHAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(-c2ccc(CO)o2)c1 20418283 SBRYQDAKSGFGOQ-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2Cl)c1 35289417 YASGYKTYHBNXLC-GOSISDBHSA-N 387.867 3.661 0 40 GHAB O=C(NCCOc1ccc(-c2ccccn2)nn1)c1cc(Cl)ccc1Cl 56908151 PVHQZHVRGMPPTF-UHFFFAOYSA-N 389.242 3.654 0 40 GHAB CCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2n2nnnc12 35289702 UOOJENBNQPILOQ-UHFFFAOYSA-N 389.459 3.533 0 40 GHAB O=C(NCc1ccc(OCc2ccccc2)cc1)c1coc(NC(=O)C2CC2)n1 70638789 QIRACVCOLZASKD-UHFFFAOYSA-N 391.427 3.532 0 40 GHAB CCSCn1nnc(-c2ccc(OC)c(OC)c2)c1C(=O)Nc1ccccc1 32611816 YJCQEWFRYDZAMV-UHFFFAOYSA-N 398.488 3.925 0 40 GHAB CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2ccc3sccc3c2)s1 560804055 PKVQQGWZHLZULP-WDEREUQCSA-N 388.518 3.708 0 40 GHAB CC(C)(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)c1 32906493 OVDSPMFRFSOJFN-OAHLLOKOSA-N 397.475 3.755 0 40 GHAB O=C(NCCOc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCC2)cc1 44014429 OEWRPANMYRMKOB-UHFFFAOYSA-N 387.867 3.777 0 40 GHAB O=C(NCc1ccc2ccccc2c1)c1cccc(S(=O)(=O)N2CCCC2)c1 45201225 IFUXCTWOKBDGBP-UHFFFAOYSA-N 394.496 3.554 0 40 GHAB CC(C)c1c(C(=O)NCCOc2cccc(Cl)c2)cnn1-c1ccccn1 40113592 TVQUPXHODBEZRI-UHFFFAOYSA-N 384.867 3.853 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)C1CCN(Cc2ccccc2)CC1 47303562 BDQPUUJJACTPJZ-UHFFFAOYSA-N 391.559 3.811 0 40 GHAB CC[C@H](NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1)c1ccccc1 224397825 PVUDFXGZOSGZBH-IBGZPJMESA-N 386.517 3.806 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)NC1CCC(C(F)(F)F)CC1 47733585 JYAPKCNTNPUHDB-UHFFFAOYSA-N 394.397 3.534 0 40 GHAB CCc1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 225950708 FXGQHAWXRCVVPZ-KRWDZBQOSA-N 380.897 3.522 0 40 GHAB Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 224100689 KCKUVIBLYBGDLG-HXUWFJFHSA-N 396.531 3.872 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)N2CCN(c3cccc(C)c3)CC2)cc1 40120801 KVCPVDNLRJACJK-UHFFFAOYSA-N 381.476 3.916 0 40 GHAB O=C(CSCc1cccnc1)NCCc1ccc(F)c(Br)c1 48374465 WQAFVGZNICQTCX-UHFFFAOYSA-N 383.286 3.575 0 40 GHAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cc1 225006711 WXFUXKPPKKGUAZ-UHFFFAOYSA-N 393.531 3.682 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc3ccccc3c2)c1 222816818 LIAXMPLLNKIZPU-UHFFFAOYSA-N 389.860 3.758 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 224540665 KEERMNPPVZNLJI-JOCHJYFZSA-N 396.531 3.880 0 40 GHAB CC(C)(C)CC(C)(C)NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223698653 HQLGSWGZGPKHTE-UHFFFAOYSA-N 390.549 3.937 0 40 GHAB CCc1ccc(O[C@@H](CC)C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1 222895568 BWGZZTHDWVPSPB-SFHVURJKSA-N 387.476 3.749 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 222395524 YDHLIVQOGZNOTR-SFHVURJKSA-N 382.504 3.661 0 40 GHAB CCOc1ccc(OCC)c(NS(=O)(=O)c2c(C)cc(OC)cc2C)c1 40086961 BCZSHTNRNPBXCB-UHFFFAOYSA-N 379.478 3.910 0 40 GHAB Cc1cc(NC(=S)NCCCN2CCC[C@@H](C)C2)ccc1N1CCCC1=O 225737741 BEXHBEVMXVGZRC-MRXNPFEDSA-N 388.581 3.530 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 224310588 UARWPCNCNGJEEN-LJQANCHMSA-N 388.895 3.662 0 40 GHAB C[C@](O)(CSc1cccc(F)c1)C(=O)Nc1ccc(Oc2cccnc2)nc1 577521063 LZIBKVHFCNSQNL-FQEVSTJZSA-N 399.447 3.890 0 40 GHAB COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)NC2CCCCC2)ccc1O 199426266 PBGDWFAMSACRAM-NRFANRHFSA-N 394.515 3.777 0 40 GHAB Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccc5[nH]ccc5c4)C3)C2)n1 96216208 NMSZLXINRBPLBT-DEOSSOPVSA-N 388.515 4.000 0 40 GHAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1 242834575 FSJHROSHYPPAQK-UHFFFAOYSA-N 390.505 3.613 0 40 GHAB COc1cccc2c1OC1(CCN(Cc3cccnc3)CC1)[C@H]1CCCO[C@H]21 257283968 PARPKIARRDHJNC-PZJWPPBQSA-N 380.488 3.985 0 40 GHAB COc1ccc(C2(C(=O)N3CCC[C@@H]3c3cncc(N(C)C)n3)CCCC2)cc1 257297986 RJPWGDXGOWWJOK-HXUWFJFHSA-N 394.519 3.727 0 40 GHAB CCNC(=S)Nc1nc(N2Cc3ccccc3C2)cc(N2CCC[C@H](C)C2)n1 260742187 TXAPJGAHXJOVHO-HNNXBMFYSA-N 396.564 3.539 0 40 GHAB O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)N[C@H]1CC12CCOCC2 652743646 HTKDZWFWHXXAAU-HNNXBMFYSA-N 380.370 3.582 0 40 GHAB OC[C@]1([C@@H](NCc2coc(-c3ccccc3C(F)(F)F)n2)C2CC2)CCCO1 1170639982 UGWMNLKSFBGDOA-HKUYNNGSSA-N 396.409 3.770 0 40 GHAB CC(C)Sc1ccc(CC(=O)NCCc2csc(-n3cccn3)n2)cc1 90609499 ZPRMROSRUSSKGR-UHFFFAOYSA-N 386.546 3.731 0 40 GHAB Cc1cccc(NC(=O)C(=O)NC[C@H](O)c2ccc(-c3cccs3)s2)c1 585148289 WLAQSPAKQVYPPI-AWEZNQCLSA-N 386.498 3.573 0 40 GHAB COc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c(OC)c1OC 36623816 IBANMWQQFWGQMX-UHFFFAOYSA-N 396.443 3.873 0 40 GHAB CC(=O)N[C@@](C)(C(=O)Nc1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 58306646 RWHKMVLPPZSLBS-QGZVFWFLSA-N 386.320 3.974 0 40 GHAB C[C@H](C(=O)Nc1ccc(-c2ccccc2)cn1)S(=O)(=O)c1ccc(F)cc1 95367577 TWFIZOWFHZTTRE-CQSZACIVSA-N 384.432 3.689 0 40 GHAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 5636592 OJFVGAMHQZIZNB-AWNIVKPZSA-N 388.464 3.652 0 40 GHAB O=C(OCc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1ccccc1F 15734148 VFNLIVZJFNXJNF-UHFFFAOYSA-N 387.436 3.695 0 40 GHAB COc1cc(/C=C\Cc2cc3c(cc2OC(C)=O)OCO3)cc(OC)c1OC 17175609 JDCZYMJXYZDTQV-WAYWQWQTSA-N 386.400 3.622 0 40 GHAB Nc1n[nH]c2nc([C@@H]3CCCCN3C(=O)C3CCCC3)cc(C(F)(F)F)c12 19695537 GSFZEULHVWIZJE-ZDUSSCGKSA-N 381.402 3.803 0 40 GHAB Cn1c([C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)nc2ccccc21 19717764 LSVYMMFVHLDOFI-INIZCTEOSA-N 387.487 3.788 0 40 GHAB COc1cccc([C@@H]2CCCN2C(=O)c2cc(C)nc(N3CCCCC3)n2)c1 19718751 VJJPRUJVIZXKDL-FQEVSTJZSA-N 380.492 3.761 0 40 GHAB O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)cn2)CC1 102674296 OYSAHRGGJRLLMH-GASCZTMLSA-N 396.878 3.890 0 40 GHAB Cc1noc(-c2ccc(NC(=O)[C@H]3CCN(c4ccccc4Cl)C3)cn2)n1 653920720 HBMOLMVEXZPELR-ZDUSSCGKSA-N 383.839 3.558 0 40 GHAB COc1ccc([C@@H]2CN(Cc3ccc(OC)cc3F)C[C@H]2c2cc[nH]n2)cc1 12128635 ZCBKBNPAAZBPGT-VQTJNVASSA-N 381.451 3.949 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccccn2)cc1 12221991 PDKFGSBDDQLORA-QAPCUYQASA-N 387.487 3.544 0 40 GHAB COc1ccccc1OCc1cc([C@@H]2CCN(Cc3cnc(C)s3)C2)n[nH]1 19704291 VXRHSRTVFVUSGE-OAHLLOKOSA-N 384.505 3.752 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)cc1C 35378106 RCUOIJHBECSXBZ-UHFFFAOYSA-N 389.864 3.508 0 40 GHAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cccc(O)c2)cs1 10529692 XDFCZFFZMNLHIS-UHFFFAOYSA-N 382.441 3.695 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccccc1 16756265 AOOPVFCZBJKFJI-UHFFFAOYSA-N 376.441 3.956 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 23228754 LPQFOKAVVWOBDL-GFCCVEGCSA-N 380.872 3.942 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)NCc3ccc(-c4ccco4)nc3)c2O1 238916145 SNUSNJGIRVDGRB-UHFFFAOYSA-N 378.428 3.750 0 40 GHAB CCc1nc(C)c(CN2CCO[C@H](c3cccc(Nc4ncc(C)s4)n3)C2)[nH]1 2037835884 FSWQLQBNPNWFIX-KRWDZBQOSA-N 398.536 3.758 0 40 GHAB Cc1cc(S(=O)(=O)N2C[C@H]3CCN(CC(C)C)CC[C@H]3C2)c(C)cc1Cl 2056223356 HOQIIZIFJOIZPP-HDICACEKSA-N 399.000 3.945 0 40 GHAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)ns2)c(OC)c1 4167256 JCOCMUGIEAXCGF-UHFFFAOYSA-N 387.486 3.953 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1ccccc1 5108292 QQMXAHWZZCFCNB-UHFFFAOYSA-N 376.478 3.779 0 40 GHAB COc1ccc(C(=O)CSc2nccn(-c3ccc(Cl)cc3)c2=O)cc1 9639755 LYSGKTSJLIFOAV-UHFFFAOYSA-N 386.860 3.870 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)N2CCS[C@H](c3ccccc3F)CC2)cc1 219154655 HNBIEOCZSRQOBX-IBGZPJMESA-N 393.505 3.897 0 40 GHAB Cc1cc(OCC(=O)NC(=S)Nc2cccc(C(=O)O)c2C)ccc1Cl 6613146 ZQKAPHIIPZFWCP-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(Cc3ccco3)[C@H]21 2105471 DKIYHSXYZRYVQM-FQEVSTJZSA-N 390.395 3.612 0 40 GHAB biogenic CCc1cc2cc3c(cc2nc1SCc1cc(=O)c(OC)cn1C)OCCO3 226795038 PLNGBGZWWRUNKY-UHFFFAOYSA-N 398.484 3.568 0 40 GHAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CCN(C)C[C@H]1c1ccccc1 30030560 SIHVRONZYRNOFL-KRWDZBQOSA-N 383.517 3.534 0 40 GHAB O=C(c1cc(-c2ccccc2F)on1)N1CCC[C@@H]1c1nnc2ccccn12 30039389 MYEISHHJBOPTHQ-MRXNPFEDSA-N 377.379 3.501 0 40 GHAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC[C@@H]1c1ccncc1 40050717 NYVYPTKNDTUALT-LJQANCHMSA-N 376.460 3.803 0 40 GHAB Cc1ccc(-n2c(C)nnc2S[C@H](C)c2nnnn2-c2ccccc2)cc1 40127224 PFZBUZPZPIQERE-CQSZACIVSA-N 377.477 3.713 0 40 GHAB C[C@@H](NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1)c1ccccc1 30955089 OCKPLLSDZKHELF-QGZVFWFLSA-N 390.487 3.826 0 40 GHAB COc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1NC(=O)c1ccccc1 100561038 XHACIKLPOXZIDP-IRXDYDNUSA-N 378.428 3.627 0 40 GHAB Cc1c(C(=O)NCc2ccc(F)cc2Cl)nnn1-c1ccc(Cl)cc1 51318121 XFEQBQTWRIKOCJ-UHFFFAOYSA-N 379.222 3.952 0 40 GHAB Cc1c([C@@H](C)NC(=O)c2cc3ccccc3c(=O)[nH]2)cnn1-c1ccc(F)cc1 32370168 ATMABYMQZITHOM-CYBMUJFWSA-N 390.418 3.652 0 40 GHAB O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl)c1ccccc1 102042220 KECXNFCKWIKOFB-KODHJQJWSA-N 392.842 3.904 0 40 GHAB COc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1OC 32781154 DEGQKBDMIRPOGU-UHFFFAOYSA-N 388.895 3.752 0 40 GHAB C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 32755219 BBGLCVXBBHVXSE-OAHLLOKOSA-N 383.469 3.782 0 40 GHAB COc1ccc(CC(=O)NCc2ccc(COCC(F)(F)F)cc2)c(OC)c1 21522196 PCUFOFFNFFGMNX-UHFFFAOYSA-N 397.393 3.642 0 40 GHAB O=C(c1csc(-c2cccs2)n1)N1CCN(CCOc2ccccc2)CC1 22385672 ZZQOFTQYUWXAJR-UHFFFAOYSA-N 399.541 3.708 0 40 GHAB CN(Cc1cccc(O)c1)C(=O)Nc1cc2c(cc1Br)OCCO2 47365648 LDWLZCLMZOVADD-UHFFFAOYSA-N 393.237 3.590 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C)c1 873988 QXMSKFOPYQMYNO-UHFFFAOYSA-N 385.468 3.606 0 40 GHAB O=C(Cc1n[nH]c2ccccc12)N(Cc1ccccc1)C[C@H](O)c1cccs1 79072210 KKLPTBHWBANDFV-FQEVSTJZSA-N 391.496 3.929 0 40 GHAB C[C@@H](c1nc2ccccc2s1)N(C)CN1C(=O)NC2(CCCCCC2)C1=O 23763829 ZMKDDRDJACQCOW-AWEZNQCLSA-N 386.521 3.891 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cnc(C)cn2)c2ccccc2)c1 3467165 MWSRPUVZIVQLSZ-HXUWFJFHSA-N 375.428 3.939 0 40 GHAB Cc1cc(C)c(NC(=O)COC(=O)c2cnn(-c3ccccc3)c2C)c(C)c1 12580123 RHRANBSYSKUJPV-UHFFFAOYSA-N 377.444 3.901 0 40 GHAB O=C(Nn1c(Cc2cccs2)nc2ccccc2c1=O)c1ccc(F)cc1F 4891222 ROOUOZIBOYKKLI-UHFFFAOYSA-N 397.406 3.711 0 40 GHAB CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 6204489 QCHWRFJOTMJKBZ-UHFFFAOYSA-N 380.897 3.897 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)OCc1cc(=O)n2ccsc2n1 6848664 OTXDCLRQKGQTIT-UHFFFAOYSA-N 383.454 3.545 0 40 GHAB NC(=O)c1c(NC(=S)NC(=O)c2ccc3ccccc3c2)sc2c1CCC2 6886195 ZJDWHBXYDUMXPP-UHFFFAOYSA-N 395.509 3.616 0 40 GHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 24831823 HEVGKGSPJGGMSY-YRNRMSPPSA-N 390.574 3.918 0 40 GHAB CCOc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 101085172 DYNOSTCVFRMHPW-UTKZUKDTSA-N 382.416 3.642 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 7667773 HLZKYFRDDURYRI-LBPRGKRZSA-N 378.881 3.611 0 40 GHAB O=C(CCC(=O)c1cccs1)NCC1(c2cccc(F)c2)CCOCC1 55450777 ULOORYASOCUECO-UHFFFAOYSA-N 375.465 3.715 0 40 GHAB CCn1nnc2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)ccc21 10856821 FMVUAKHCAIDIFW-UHFFFAOYSA-N 393.230 3.554 0 40 GHAB Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)Nc2cccc(F)c2)c1Cl 25702400 CRXYJJMHGUISSR-UHFFFAOYSA-N 392.601 3.559 0 40 GHAB Cc1ccc(OCCSc2nnc([C@H]3COc4ccccc4O3)n2C)cc1 8428083 UMUMFUAORZPPTM-GOSISDBHSA-N 383.473 3.807 0 40 GHAB O=C(/C=C(/Cl)c1ccc2c(c1)OCO2)OC/C=C\c1ccc2c(c1)OCO2 8649543 NIZSOWOMFVJWID-YBOLAUARSA-N 386.787 3.980 0 40 GHAB O=C(NCc1ccccc1Cl)c1nn(-c2ccccc2)c(=O)c2ccccc12 3222611 GXLKAXPPOBIDCS-UHFFFAOYSA-N 389.842 3.969 0 40 GHAB COc1ccc(C)cc1NC(=O)CN1CCN(c2cc(Cl)ccc2C)CC1 57756053 OXCUYCVYEYVXPP-UHFFFAOYSA-N 387.911 3.726 0 40 GHAB CN(Cc1ccc(Br)cc1)C(=O)c1ccc2c(c1)NC(=O)CS2 12690369 CLNQAEKEFSYSAO-UHFFFAOYSA-N 391.290 3.766 0 40 GHAB COc1cccc(NC(=O)[C@H](NCc2ccc(OC)nc2)c2ccccc2)c1 10185630 VRAZVPOMGKEDSH-OAQYLSRUSA-N 377.444 3.568 0 40 GHAB CN1CCN(c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cn2)CC1 12613376 UYVOBRLRLSFUJZ-UHFFFAOYSA-N 388.471 3.878 0 40 GHAB COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)cc1OC 58193323 WMMGXTRGGBUEKE-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB CCN(CC)c1ccc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cn1 48176747 YDINLGCYIFQRPG-NRFANRHFSA-N 382.508 3.905 0 40 GHAB COc1cc2nc(-c3ccccc3)nc(N3C[C@@H](C)O[C@H](C)C3)c2cc1OC 2199255 HWHMLWNCWMDFDS-HUUCEWRRSA-N 379.460 3.928 0 40 GHAB COCCn1/c(=N/C(=O)c2ccccc2Br)sc2ccccc21 100872458 BVAJSOASRQRMGB-ZPHPHTNESA-N 391.290 3.853 0 40 GHAB Cc1ccccc1CN1CCN(C(=O)c2cc3ccc(F)cc3nc2C)CC1 12733385 GWZMUMVQBPXIJO-UHFFFAOYSA-N 377.463 3.949 0 40 GHAB COc1ccc(N)cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 57340350 ULUZTFUWWCEGRF-UHFFFAOYSA-N 379.254 3.836 0 40 GHAB Cc1nc(CC(=O)N[C@H](C)CCc2ccccc2)[nH]c1Cc1ccc(O)cc1 36235031 DEOIDSQCNUFQNY-MRXNPFEDSA-N 377.488 3.695 0 40 GHAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 28251243 NAWIKGDYXLBKPT-KRWDZBQOSA-N 399.393 3.893 0 40 GHAB COC(=O)c1ccc(COc2ccc(C(=O)OC)cc2Br)cc1 12782255 NULYTXIAFAYTLW-UHFFFAOYSA-N 379.206 3.601 0 40 GHAB CCOC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccc(CC)cc4)nc3c2)C1 57326931 WLHBPUXTPDJAQV-INIZCTEOSA-N 378.428 3.973 0 40 GHAB O=C(Oc1ccc(N2CCCC2=O)cc1)c1cc(Br)ccc1F 28256715 PXFDWWGSZQVBGW-UHFFFAOYSA-N 378.197 3.934 0 40 GHAB C[C@H](NC(=O)c1cc(Br)ccc1F)c1ccc(NC(N)=O)cc1 36394357 KEPQAVARZLKERF-VIFPVBQESA-N 380.217 3.570 0 40 GHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 23299313 VHEAGLSAHTYZJQ-QGZVFWFLSA-N 378.472 3.777 0 40 GHAB COc1ccc2c(c1)CCN2C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl 58904280 CLRZVCOOZOQDGF-NSHDSACASA-N 393.270 3.710 0 40 GHAB CC(C)CCC[C@H](C)NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 36745061 KFYFTHKYGNWVPT-GAJHUEQPSA-N 399.535 3.707 0 40 GHAB COCc1cccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)c1 48374846 FVNPUCVKJINVIS-OAQYLSRUSA-N 382.504 3.799 0 40 GHAB O=C(CCS[C@@H]1CCc2ccccc2N=C1O)NCc1ccc2c(c1)OCO2 11865951 XRNYXKCWUUQDEK-LJQANCHMSA-N 398.484 3.758 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1 26528865 BLYJUFLDEQDVDF-UHFFFAOYSA-N 378.208 3.720 0 40 GHAB COc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 3548160 DDWRSMVBHKNGKI-UHFFFAOYSA-N 385.423 3.706 0 40 GHAB COc1ccc(CNC(=O)c2sc(-c3ccsc3)nc2C)cc1C(=O)O 12941252 RXLYCBGXKOHCSI-UHFFFAOYSA-N 388.470 3.817 0 40 GHAB O=C(c1ccccc1)N1CC[C@]2(C1)CN(C(=O)c1ccccc1)c1cccnc12 306128719 HIYRXIAYUXTBNA-DEOSSOPVSA-N 383.451 3.526 0 40 GHAB CCn1cccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 409234146 MJQRMEJBQHQMER-XNTDXEJSSA-N 389.864 3.836 0 40 GHAB CC(C)(C)c1ccc(C(=O)N(CCc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4194986 GJBVJNLDEQXTLO-NRFANRHFSA-N 399.556 3.856 0 40 GHAB O=S(=O)(NCc1nc(-c2cccs2)no1)c1cc(Cl)ccc1Cl 13736264 WPISWHFWUSMIAV-UHFFFAOYSA-N 390.273 3.583 0 40 GHAB C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)c1c[nH]c2ccccc12 5289138 XRLSDFCTSPOYAT-SGTLLEGYSA-N 394.452 3.785 0 40 GHAB CC(C)CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 6561288 RHPZWBSURNALGF-QCUIPMNBSA-N 392.565 3.640 0 40 GHAB C[C@@H](NC(=O)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O)c1ccccc1 4679503 KOWUCHDHQCOKQA-QRWLVFNGSA-N 394.858 3.803 0 40 GHAB Cc1cccc2nc(CNc3ccccc3C(=O)NCc3ccccc3)cc(=O)n12 9465719 JKTQMCCHPWKTGF-UHFFFAOYSA-N 398.466 3.545 0 40 GHAB Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)c1 6760517 VZSKHXNLPVQXKZ-UHFFFAOYSA-N 377.853 3.519 0 40 GHAB Cc1cccc(OC(F)F)c1NC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 66769770 KZIDDJMOAQRAEF-HNFVBEJKSA-N 380.435 3.962 0 40 GHAB C[C@@H](Sc1nc2sccc2c(=O)n1-c1ccccc1)C(=O)N1CCCCC1 6907486 KCKWTVPCEUJOMD-CQSZACIVSA-N 399.541 3.940 0 40 GHAB CN1C(=O)c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2C1=O 408619478 CHDRFHFQVQXQAI-UHFFFAOYSA-N 392.455 3.978 0 40 GHAB CCc1ccc2oc(C(=O)NC[C@H](c3ccco3)N3CCCC3)cc(=O)c2c1 15859930 FQFQWSZAZVBBEF-QGZVFWFLSA-N 380.444 3.515 0 40 GHAB CN1CCN(C(=O)c2ccccc2)C[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 306129449 IDRGXTMDQATTTO-JOCHJYFZSA-N 397.482 3.525 0 40 GHAB CC(C)n1ncc2c(C(=O)NCc3ccc4c(c3)OCO4)cc(C3CC3)nc21 7985403 ALNYOFSYLMOPLS-UHFFFAOYSA-N 378.432 3.548 0 40 GHAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C(C(=O)OCC)=C(C)N2 8346017 LPLRAOOUZZXNJZ-OAHLLOKOSA-N 385.489 3.667 0 40 GHAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1C(=O)c1ccccc1 8406520 AQSRHQHWVWLJNN-NRFANRHFSA-N 384.479 3.922 0 40 GHAB O=C(OCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)c1ccc(O)cc1 8447282 QXMOWRKMIGHIQW-FQEVSTJZSA-N 389.407 3.716 0 40 GHAB COc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc(OC)c1 8748402 KHWRQQGRFTVOSW-UHFFFAOYSA-N 381.432 3.700 0 40 GHAB CCOC(=O)Cn1c([C@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 8845074 CNFXXKUCOUTXDT-KRWDZBQOSA-N 391.471 3.737 0 40 GHAB O=C(O)Cc1ccc(NC(=S)NC(=O)CSc2ccc(Cl)cc2)cc1 20153738 FTPBLTKDJDUQMM-UHFFFAOYSA-N 394.905 3.572 0 40 GHAB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@H]3COCCO3)c2C1 84169385 QYJPWVXNLMGQGO-CVEARBPZSA-N 382.504 3.531 0 40 GHAB COc1ccc(/C=C2/N=C(SCCO)N(c3cc(C)cc(C)c3)C2=O)cc1 95953070 MMIKBBPJOWWHIN-CPNJWEJPSA-N 382.485 3.781 0 40 GHAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(c2nc(C3CC3)ns2)C1)C1CCCC1 95999557 VKHAHNLSJUOADE-CQSZACIVSA-N 386.525 3.651 0 40 GHAB CCCCCC(=O)NC(=S)Nc1ccccc1-c1nn2c(C)nnc2s1 408617629 ATOIOGMZLWBWCJ-UHFFFAOYSA-N 388.522 3.555 0 40 GHAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccncc3)C2=O)cc1 409343359 GNJBZXGIEKDZPD-GZTJUZNOSA-N 381.457 3.880 0 40 GHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2c(F)cccc2Cl)nn1 32074150 AXEHGHOMUHBORQ-SNVBAGLBSA-N 387.802 3.895 0 40 GHAB COCCOc1c(Cl)cc(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)cc1Cl 529044815 NCKWOZMKSHQWKR-QGHHPUGFSA-N 389.279 3.708 0 40 GHAB CCOc1ccccc1-c1nc(SCC(=O)Nc2ccccc2OC)n[nH]1 408528293 VQNZUYUOGHCNHP-UHFFFAOYSA-N 384.461 3.610 0 40 GHAB CC(C)(C)C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 408627583 LYQMYXJPCTUOJK-SNVBAGLBSA-N 395.594 3.857 0 40 GHAB C[C@@H]1[C@@H](c2ccccc2)[C@@H]1c1nc(-c2cccc(S(=O)(=O)N(C)C)c2)no1 558362102 CSYKVTVMLKZTSX-JEBQAFNWSA-N 383.473 3.504 0 40 GHAB O=C(O)c1conc1[C@H](O[C@@H]1CCCCO1)c1ccc(Br)cc1 504256864 OTYKYJQADOFJHL-UKRRQHHQSA-N 382.210 3.768 0 40 GHAB O=C(c1cnn2c1CCC2)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 567452842 OGTZZPCYGGSUSK-SFHVURJKSA-N 395.438 3.776 0 40 GHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1C1CCCCC1 223573858 NMAHDNLUZZCWEW-LEWJYISDSA-N 398.576 3.970 0 40 GHAB CCc1nn2c(ncc3c(=O)n(C(C)(C)CO)ccc32)c1-c1ccc(Cl)cc1 40397411 NHJXQBSBLLDFFO-UHFFFAOYSA-N 396.878 3.654 0 40 GHAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(-n2cccn2)nc1 40050489 IXSYYMJFDBPUMO-UHFFFAOYSA-N 379.420 3.706 0 40 GHAB COC(=O)c1ccc(OC)c(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 225289766 UMVVQMPWISEQAN-CQSZACIVSA-N 383.444 3.767 0 40 GHAB CCc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1cccc(Cl)c1 40384985 ZGSNVVOXZXPUPB-UHFFFAOYSA-N 383.883 3.942 0 40 GHAB COc1cc(C)c(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1C(C)C 225661209 OQQROSDMBOZXCJ-UHFFFAOYSA-N 396.487 3.852 0 40 GHAB CCc1cccc(C)c1NS(=O)(=O)c1cc2oc(=O)n(CC)c2cc1Cl 223361834 JRASQJQLYVXUNL-UHFFFAOYSA-N 394.880 3.939 0 40 GHAB O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc(Cl)ccc1Cl 44225773 RSDZJSBLKRXSPF-STQMWFEESA-N 387.288 3.730 0 40 GHAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)nc1 222818161 QVCSGLHWWCGIAZ-UXHICEINSA-N 377.517 3.957 0 40 GHAB COc1cccc([C@@H](CC(=O)O)NC(=S)Nc2ccc3sncc3c2)c1 225214822 MTFZLIMHAZXDEI-OAHLLOKOSA-N 387.486 3.807 0 40 GHAB O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Cl)s1)CC2)C1CCC1 90582584 VTIZKUVDFJCOKX-UHFFFAOYSA-N 381.910 3.795 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1cc(Cl)ccc1Cl 242514949 BXCJYHVCSKFGBF-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB COc1ccccc1C1(C(=O)NC[C@](O)(c2ccsc2)c2cccs2)CC1 253401745 NLWXUOHJHFFJHO-NRFANRHFSA-N 399.537 3.902 0 40 GHAB O=C(c1cc(-c2cccs2)n[nH]1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 253471683 DYGNCFQGJMYOTI-CABCVRRESA-N 391.456 3.545 0 40 GHAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cccc(C)n3)C2)o1 257210220 BTRLRLJTEOELHB-GOSISDBHSA-N 391.471 3.997 0 40 GHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)CC4CCOCC4)[C@@H]3C[C@H]21 257202975 AOCVUXMMQQCQLB-DBQGFPOUSA-N 385.504 3.721 0 40 GHAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(N5CCCC5=O)cc4)OCC[C@@]31C2 257242625 IDJNOXGPVUTGQS-CZRIRQFQSA-N 396.531 3.832 0 40 GHAB Cc1ccccc1CN1CCCN(C(=O)CN2CCc3sccc3[C@@H]2C)CC1 613377529 ISUQYQDNQDAOIC-IBGZPJMESA-N 397.588 3.710 0 40 GHAB Cc1nc([C@@H]2CCOC2)sc1C(=O)N(C)Cc1nc(C(F)(F)F)cs1 631590041 SMBBSPZBINHGQF-SECBINFHSA-N 391.440 3.703 0 40 GHAB CCn1nc(-c2nnc(-c3nc(C(C)C)ncc3Cl)o2)c2ccccc2c1=O 1257657148 UAQKWZFCAFYDSK-UHFFFAOYSA-N 396.838 3.700 0 40 GHAB Cc1ccc2nc(O)c(CNC[C@H](O)COc3ccc(Cl)c(C)c3)cc2c1 585292685 NGWLJAFHAWLVAV-KRWDZBQOSA-N 386.879 3.740 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)c(O)n1 1615120106 KPHNPBDBZRLACL-JOCHJYFZSA-N 383.467 3.898 0 40 GHAB O=C1NC2(CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)Oc2ccccc21 12145768 ZEERYDNDXRSRGK-UHFFFAOYSA-N 390.483 3.640 0 40 GHAB Cc1cc(C)cc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1 12922771 LRUKBFGHWZGYIZ-UHFFFAOYSA-N 382.485 3.764 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)ccc21 15243189 ZQIFNUOAGFMBLT-UHFFFAOYSA-N 378.881 3.748 0 40 GHAB CCCOc1ccc(Cc2nnc(SCC(=O)O)n2-c2ccccc2)cc1 15838449 YMOFBOVWKGHXCA-UHFFFAOYSA-N 383.473 3.824 0 40 GHAB S=C(NCCN1CCOCC1)Nc1cc(Cl)ccc1Oc1ccccc1 17080050 AMVPZBMEKAGGTJ-UHFFFAOYSA-N 391.924 3.751 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)c2ccccc2)CC1 19496080 CVYRNNCQDGBQPZ-IAGOWNOFSA-N 394.519 3.833 0 40 GHAB COc1ccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)cc1 19555278 YMVHCQYSFWURBL-HXUWFJFHSA-N 376.460 3.568 0 40 GHAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(N2CCCCC2)cc1 19655264 WBBZTSMQPUJBTC-UHFFFAOYSA-N 376.460 3.999 0 40 GHAB Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1N1CCOCC1 19664079 ZIPBWSCRJHVJKW-UHFFFAOYSA-N 380.473 3.602 0 40 GHAB COc1ccccc1CN1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C(C)=O 19017774 HGPAHUNLVBKUKC-MQSCRBSSSA-N 382.479 3.813 0 40 GHAB COc1cccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1OC 4214580 PCIWCYUKRZFCMF-YQQQUEKLSA-N 380.488 3.629 0 40 GHAB in-vitro Nn1cc(-c2ccccc2)nc1SCC(=O)N[C@H]1CCCc2ccccc21 4251751 GGGUFCSNOBNVHD-SFHVURJKSA-N 378.501 3.550 0 40 GHAB CCCCCn1nc(C(=O)Nc2nnc(C(C)C)s2)c2ccccc2c1=O 10026096 RLYZTUIWMOGGQQ-UHFFFAOYSA-N 385.493 3.814 0 40 GHAB COc1cccc2cc(C(=O)NCCc3ccc(-c4cnn(C)c4)s3)oc12 1889237491 NQXWEMBOPUIKQJ-UHFFFAOYSA-N 381.457 3.876 0 40 GHAB COc1cccc(CN2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)c1F 2037983764 DYDSGHBTEMHLFD-HSZRJFAPSA-N 398.478 3.622 0 40 GHAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 2468295 RWMYHFYWGBFXRX-UHFFFAOYSA-N 387.848 3.985 0 40 GHAB COC(=O)[C@@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1 2720887 PYRNJIQWJHMWGR-LLVKDONJSA-N 397.431 3.660 0 40 GHAB COc1ccc(CC(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)cc1OC 4249091 WMTUQESQCIGHFL-UHFFFAOYSA-N 395.484 3.854 0 40 GHAB CCCC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 5375223 FOBPVWVTBSMNKC-UHFFFAOYSA-N 376.453 3.706 0 40 GHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccc(N2CCCC2)cc1 16991324 MYWCUHDWBVVMEK-UHFFFAOYSA-N 385.895 3.546 0 40 GHAB CCC(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2OC)CC1 23181672 WNUHFYDYCLADRY-KKSFZXQISA-N 387.549 3.535 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@@H](n2c(C)nc3ccccc32)C1 575414640 RBZVBVPUMVGIKA-MRXNPFEDSA-N 391.500 3.988 0 40 GHAB Cn1nccc1-c1ccc(CNC(=O)Nc2ccccc2C(F)(F)F)cn1 575620875 WAGVCIOCNABLJD-UHFFFAOYSA-N 375.354 3.823 0 40 GHAB CC(C)c1ccc(OCC(=O)N2CC[C@@H](Oc3cnc4ccccc4n3)C2)cc1 618255123 LRGXEOOBDZCLFS-LJQANCHMSA-N 391.471 3.812 0 40 GHAB Nc1nc(SC[C@H](O)CO[C@@H]2CCCc3ccccc32)nc2sccc12 40018173 ALDNIURREILBJO-CZUORRHYSA-N 387.530 3.821 0 40 GHAB Cn1cc(-c2nc(C(=O)Nc3cccc(OCc4ccccn4)c3)cs2)cn1 40145113 PYBPKIFLQAAMNS-UHFFFAOYSA-N 391.456 3.770 0 40 GHAB CS(=O)(=O)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1 40160267 DFSQQEQWRKYGEG-UHFFFAOYSA-N 384.482 3.889 0 40 GHAB COc1ccccc1-c1csc(NC(=O)COCCOc2ccccc2)n1 40134095 NQHONXYMBLBGLR-UHFFFAOYSA-N 384.457 3.853 0 40 GHAB CN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2 31776775 OXVRMDCWPSQEEA-UHFFFAOYSA-N 392.908 3.721 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccsc1 31983041 KVZALCXTQXXUNI-IBGZPJMESA-N 385.533 3.836 0 40 GHAB Cc1cccc(C)c1N1C(=O)C[C@@H](N2CCC(c3ccc(O)cc3)CC2)C1=O 101276529 ZWZIALHQPUZPDJ-HXUWFJFHSA-N 378.472 3.521 0 40 GHAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Oc1ccccc1Cc1ccccc1 102116050 ZJJOWNWGAXJHNC-WOJBJXKFSA-N 391.467 3.748 0 40 GHAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 21904526 BJRQYMXSMVIXLG-LJQANCHMSA-N 375.472 3.827 0 40 GHAB Cc1ccc(NC(=O)[C@]23C(=O)Oc4ccccc4[C@H]2[C@H]3C(=O)C(C)(C)C)cc1 22145238 RICYKHWFWHJOBY-BSRJHKFKSA-N 377.440 3.868 0 40 GHAB COc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1OC 807313 QDQDXTWSBAXOBX-UHFFFAOYSA-N 382.460 3.828 0 40 GHAB CS(=O)(=O)N(Cc1ccc(C(=O)NC2CCCCC2)cc1)c1ccccc1 835032 GXDZVBWKMYUQNZ-UHFFFAOYSA-N 386.517 3.715 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N3CCCC[C@@H]3C)n2C)c1C 896633 XGOIJRBINPVQCL-HNNXBMFYSA-N 388.537 3.504 0 40 GHAB CCCOC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O 1911922 PAGBMDBBAANVDN-ZDUSSCGKSA-N 399.472 3.533 0 40 GHAB O=S(=O)(NCCSc1ccccc1)c1ccc(Br)s1 2179459 FQEUAZGWRKVWOO-UHFFFAOYSA-N 378.338 3.581 0 40 GHAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccc2c(c1)OCCO2 2620849 YQBOQFBCZOONEA-UHFFFAOYSA-N 399.418 3.591 0 40 GHAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1 2723025 ZWGAMVWCHYNSFD-UHFFFAOYSA-N 381.457 3.683 0 40 GHAB CCOC(=O)[C@@H](CC)Sc1nnc(-c2ccccc2Br)n1C 4130169 AXQZSPKEXWREKR-GFCCVEGCSA-N 384.299 3.678 0 40 GHAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCCc2ccccc21 4296107 ZTWCXEYMKIKZTO-UHFFFAOYSA-N 377.444 3.654 0 40 GHAB COc1cc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc(OC)c1OC 5020159 ISQFLSIWRSFURI-SFHVURJKSA-N 383.448 3.716 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1C[C@H]1CCCO1 5149961 MIWOZAYCQBGPTM-DNVCBOLYSA-N 379.387 3.656 0 40 GHAB O=C(Nc1ccc(F)c(F)c1F)c1cccn(Cc2ccc(F)cc2)c1=O 5269066 PNFBREOHIDAKPP-UHFFFAOYSA-N 376.309 3.705 0 40 GHAB CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1 5444379 FQWHHZPGVZZHNZ-UHFFFAOYSA-N 376.368 3.528 0 40 GHAB CCOc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OCC 5466664 OYELXQOPWRAXOG-XLIONFOSSA-N 380.444 3.654 0 40 GHAB COc1ccc2c(c1)c1ncnc(N3CCN(c4ccc(F)cc4)CC3)c1n2C 5516467 XNYVGWFHYBRFOR-UHFFFAOYSA-N 391.450 3.596 0 40 GHAB COc1cc(/C=C/C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)ccc1O 6302193 DDQLMQNTQBDGFD-RMKNXTFCSA-N 380.396 3.881 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2C)cc1 6553291 YNYOVAUPDZRWHH-UHFFFAOYSA-N 384.457 3.627 0 40 GHAB COc1cccc2c1Oc1nc(-c3ccc(OC)c(OC)c3OC)nc(O)c1C2 6748442 RDHRUQZPDYDAMN-UHFFFAOYSA-N 396.399 3.580 0 40 GHAB Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 6917046 CRELGCCABQUXOP-HNNXBMFYSA-N 392.546 3.673 0 40 GHAB COc1cc(/C=C/C(=O)Nc2ccc(OC(F)F)cc2)cc2c1OCCO2 7213232 KQRCYVDAXVTLCR-FARCUNLSSA-N 377.343 3.720 0 40 GHAB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 7608144 ZBRWHNMSXCINDD-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(OC)ccc2OC)CC1=O 7928211 IWJAJUGVABDFLO-QGZVFWFLSA-N 396.487 3.820 0 40 GHAB COc1ccc(-c2noc(CSc3ncnc4ccccc34)n2)cc1OC 8131231 AWWSGRJNGMXQTQ-UHFFFAOYSA-N 380.429 3.989 0 40 GHAB C[C@]1(CCc2ccccc2)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O 8133701 ZWVKWMVNHXUGLE-HXUWFJFHSA-N 381.457 3.846 0 40 GHAB CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)cc1 8338466 KYQBGRCZOIWXDQ-HXUWFJFHSA-N 377.440 3.855 0 40 GHAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(F)cc1)N(CCN(C)C)C3=O 8549528 MAGQJXNSSIEDPP-HXUWFJFHSA-N 394.446 3.656 0 40 GHAB COc1cc(-c2noc(-c3cc4cc(F)ccc4oc3=O)n2)cc(OC)c1OC 8619011 VEIQUVCUABGRNT-UHFFFAOYSA-N 398.346 3.675 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810171 XCRYJBXFTJORON-UHFFFAOYSA-N 384.860 3.808 0 40 GHAB O=C(O)CSc1cc(C(=O)c2ccccc2O)cn2c1nc1ccccc12 9114639 AVHHBQSORDRMMN-UHFFFAOYSA-N 378.409 3.601 0 40 GHAB COc1ccc2nc(N(Cc3cccnc3)C(=O)c3cc(C)nn3C)sc2c1 9200628 AZWMQCOXRUPSPZ-UHFFFAOYSA-N 393.472 3.589 0 40 GHAB COc1cccc2sc(N(Cc3ccccn3)C(=O)c3cc(C)on3)nc12 9206346 LFEGCWMZQFMIRZ-UHFFFAOYSA-N 380.429 3.843 0 40 GHAB CCc1nn2c(C)c(C(=O)Nc3ccc(OC)cc3)nnc2c1-c1ccccc1 9225444 FICWNHHEORCTTL-UHFFFAOYSA-N 387.443 3.923 0 40 GHAB Cc1cc(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1Cl 9375859 RMMFFEDDRJDONX-UHFFFAOYSA-N 399.878 3.534 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)C1CCC1 9376736 KTFVUFGLGULARH-UHFFFAOYSA-N 394.880 3.888 0 40 GHAB O=C1C/C(=C/c2coc3ccccc3c2=O)C(=O)N1c1ccc(F)c(Cl)c1 9486043 YIVXXSWDCGJBOO-XFFZJAGNSA-N 383.762 3.932 0 40 GHAB NC(=O)[C@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1ccccc1 10376968 FNTDFFRHWRBSNA-GOSISDBHSA-N 393.516 3.576 0 40 GHAB CC(=O)Nc1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1Cl 10947260 QZEXTPREBSWTIN-SFHVURJKSA-N 375.831 3.869 0 40 GHAB COc1cccc(-c2[nH]ncc2CN2CCC(O)(c3ccccc3OC)CC2)c1 12147586 SUAUQPBHQQRYJL-UHFFFAOYSA-N 393.487 3.578 0 40 GHAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1N1CCCC1 12550253 RQXTZVNGJUTOJZ-UHFFFAOYSA-N 395.547 3.948 0 40 GHAB COc1cc(NC(=O)Cn2c(-c3ccco3)nc3ccccc32)cc(OC)c1 12604313 OPJLQZYDAVBQRX-UHFFFAOYSA-N 377.400 3.952 0 40 GHAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)ccc1C(C)C 12611974 FPYHDUAWKSNOOQ-MRXNPFEDSA-N 395.455 3.848 0 40 GHAB C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 12741375 RPUHUWHQQUZIEU-MRVPVSSYSA-N 389.399 3.684 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12975587 BMWWUZNFYUGLLK-INIZCTEOSA-N 385.895 3.938 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccccc1C(F)(F)F 13006257 UHJCRTJSFJREDI-LBPRGKRZSA-N 378.350 3.848 0 40 GHAB Cc1nc2oc3c(NCc4ccncc4)ncnc3c2c2c1COC(C)(C)C2 13207207 OFQQBHAUKXVICV-UHFFFAOYSA-N 375.432 3.938 0 40 GHAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)on1 13226020 HAQUXMRXDNWONV-LBPRGKRZSA-N 389.506 3.595 0 40 GHAB COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1OC 13814869 FALYYVFNMGKNSV-WQRHYEAKSA-N 383.425 3.623 0 40 GHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCC(CCc3ccccc3)CC1)C2=O 14201600 SNKMDNGSRAIBSX-WZONZLPQSA-N 383.536 3.789 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1S(=O)(=O)N1CCCCCC1 15313008 SECMOGOIAKHRPE-ZIFCJYIRSA-N 388.533 3.710 0 40 GHAB COc1cccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2cccc(OC)c2)CN3C(C)=O)c1 19019436 YMFSKSUICFOSFO-WXFUMESZSA-N 394.515 3.540 0 40 GHAB Cc1ccc(C(=O)N2Cc3ccccc3OC3(CCC(N(C)C)CC3)C2)cn1 19214911 TUGYXJWPDKITHV-UHFFFAOYSA-N 379.504 3.668 0 40 GHAB CCc1cc(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)no1 19522590 GRFATNGBSAQICG-UHFFFAOYSA-N 396.495 3.510 0 40 GHAB CCn1nc(C)c([C@H](C)NC(=O)c2noc(C)c2Cc2c(C)noc2C)c1C 19523752 ZCCOMVAHAYADNK-NSHDSACASA-N 385.468 3.503 0 40 GHAB O=C(COc1ccc(Br)cc1)NCc1ccc(OC(F)F)cc1 19601161 XECFRJULDZLLKG-UHFFFAOYSA-N 386.192 3.746 0 40 GHAB COc1ccc2c(c1)C=C(CN1CC[C@@]3(C)[C@@H]1CCCCCN3C(C)=O)CO2 19713411 LSXRFFMMDIPONW-GOTSBHOMSA-N 384.520 3.727 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)c(OC)c1OC 20048355 JWMAPJKLIQYJOJ-HNNXBMFYSA-N 387.476 3.920 0 40 GHAB CCOc1cc(C(=O)Nc2ncccc2O)ccc1OCCOc1ccccc1 21901611 SFLMJRRRHUMIFN-UHFFFAOYSA-N 394.427 3.896 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2SCC(F)(F)F)c1 22502714 GWTBTDSKCIVODT-UHFFFAOYSA-N 389.420 3.997 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(F)ccc1F 22568351 ZRHASFUMQIPDPW-UHFFFAOYSA-N 394.443 3.700 0 40 GHAB C[C@@H](OCc1ccccc1)C(=O)NCc1cccc(NC(=O)c2ccco2)c1 25150842 YYHSSXFJTBFVKI-MRXNPFEDSA-N 378.428 3.753 0 40 GHAB CCOc1ccc(NC(=O)[C@H](C)Sc2nc3ccsc3c(=O)n2C)cc1 26111676 GBPJBHURRXLTHA-NSHDSACASA-N 389.502 3.513 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)OCc1cc(=O)n2cc(Cl)ccc2n1 26719071 YGDFQBCQEROBTE-UHFFFAOYSA-N 395.846 3.895 0 40 GHAB CN(CCC(=O)Nc1cccc2ccccc12)Cc1nc2ccccc2c(=O)[nH]1 28845469 CYXAVXLUWWKDEC-UHFFFAOYSA-N 386.455 3.537 0 40 GHAB O=C(CNc1cc2c(cc1Cl)OCCCO2)Nc1cccc2nsnc12 29936678 BHZOUPIMEHXGDP-UHFFFAOYSA-N 390.852 3.557 0 40 GHAB CN1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)[C@H](c2ccccc2)C1 30030595 FXJCCMCRVAEPQB-FQEVSTJZSA-N 375.472 3.790 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)c1 32610594 ONOSPVDWPINYRP-UHFFFAOYSA-N 389.814 3.993 0 40 GHAB COC(=O)c1ccc(OS(=O)(=O)c2ccccc2-c2ccccc2)c(OC)c1 32755335 SGVNESGJPYECJK-UHFFFAOYSA-N 398.436 3.917 0 40 GHAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](c1cccs1)C(C)C 32814220 UPNYUZKQMNIOGF-SFHVURJKSA-N 396.534 3.781 0 40 GHAB CN(C)[C@H](CNc1ccccc1S(=O)(=O)C(F)(F)F)c1cccs1 32829033 JULKSOYHLDFNKP-GFCCVEGCSA-N 378.441 3.756 0 40 GHAB COc1ccc(CCNC(=S)NCc2ccccc2CN(C)C(C)C)cc1 36847585 ASEOUVYFBALHSU-UHFFFAOYSA-N 385.577 3.742 0 40 GHAB C[C@@H]1c2cccn2CCN1C[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1 37477427 QXCAXSSGNYCGMS-NQIIRXRSSA-N 390.483 3.536 0 40 GHAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)ccc1Br 39976068 SACWZPHYLGWDLG-AWEZNQCLSA-N 377.238 3.594 0 40 GHAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)NCC3(N(C)C)CCCC3)c2C)cc1 40118586 XFXPVRWUPFARTL-OUKQBFOZSA-N 394.563 3.860 0 40 GHAB CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)NCc2ccccc2)C1 44803634 WKSVSKWHWLTLDO-GOSISDBHSA-N 390.487 3.561 0 40 GHAB CN(C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O)C1CCCCC1 44842942 XWPASGGSMOXYSI-UHFFFAOYSA-N 380.554 3.541 0 40 GHAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(=O)OC)cc1 49005563 DAUICLXEMNFVHG-UHFFFAOYSA-N 392.459 3.950 0 40 GHAB Cc1ccc(-c2nnc(S)n2CC(=O)NCCc2ccc(Cl)s2)cc1 53680024 WUDWPMYLNWQMCP-UHFFFAOYSA-N 392.937 3.616 0 40 GHAB O=C(O)CC1(CC(=O)Nc2cc(N3CCCC3=O)ccc2F)CCCCC1 55151025 RUNHEFHBZKGFTJ-UHFFFAOYSA-N 376.428 3.706 0 40 GHAB CCN1C(=O)[C@@]2(SCC(=O)N2c2ccc(F)c(Cl)c2)c2ccccc21 55174917 FSOZGHKYGHAKKO-SFHVURJKSA-N 376.840 3.778 0 40 GHAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC([C@H](O)c2ccccc2)CC1 55274329 VDYDRZVWRKKFMD-WIYYLYMNSA-N 385.891 3.863 0 40 GHAB Cc1cnc2c(S(=O)(=O)Oc3cccc(NC(=O)C4CC4)c3)cccc2c1 56088181 FJKLHJHIBQGYFQ-UHFFFAOYSA-N 382.441 3.659 0 40 GHAB O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416500 UYAQIAUUYZXXBH-LLVKDONJSA-N 399.224 3.941 0 40 GHAB COc1ccc(CNC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1OC 57882209 PODJOXCZBZPXIM-UHFFFAOYSA-N 396.443 3.914 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCOc3c(Cl)cccc32)C1 58168732 ZEOGDKNJZSFTIY-XJKSGUPXSA-N 378.900 3.565 0 40 GHAB C[C@H](CCNC(=O)Nc1cccc(Cn2cccnc2=O)c1)c1ccccc1 58209883 VCYIPPPRUPLGCR-QGZVFWFLSA-N 376.460 3.607 0 40 GHAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N(CCc1ccccc1)Cc1cccnc1 66942727 DMEBMQWRXNWOPJ-UGKGYDQZSA-N 382.504 3.627 0 40 GHAB Cc1cc2nc(SCC(=O)Nc3ccccc3)n(-c3ccccc3)c(=O)c2[nH]1 67236771 OVMZCMFQKYHOSU-UHFFFAOYSA-N 390.468 3.753 0 40 GHAB Cc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(C)c(C)c2)cc1 67246022 RNMYISUCQHHDFT-UHFFFAOYSA-N 398.488 3.696 0 40 GHAB O=C(NCc1cc(Br)ccc1F)[C@@H]1CCCN1Cc1ccccc1 69324666 BMNHZSGAHSGCMN-SFHVURJKSA-N 391.284 3.869 0 40 GHAB COc1ccc2c(C)c(CC(=O)Nc3cccc4[nH]ccc34)c(=O)oc2c1OC 72324871 YWDOVCINCNULHE-UHFFFAOYSA-N 392.411 3.781 0 40 GHAB biogenic Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72353960 GTIUHXZTNKHJRL-OAQYLSRUSA-N 395.522 3.922 0 40 GHAB CCN(CC)c1ccc2c(C)c(-c3ccc(S(=O)(=O)O)cc3)c(=O)oc2c1 79006572 YTIMFYAXMCCDMO-UHFFFAOYSA-N 387.457 3.861 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1sccc1C1CC1 84685797 KCUUDNJODSSPKC-GFCCVEGCSA-N 384.457 3.546 0 40 GHAB CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)CS2 90609800 KATNLLALDMXAFG-SNVBAGLBSA-N 398.315 3.782 0 40 GHAB COc1ccc(OC)c2[nH]c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc12 96118036 OGHUJLLAHOGZFF-UHFFFAOYSA-N 393.487 3.580 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)N3CCCC3)CC2)Oc2ccccc21 96243101 LAKUCAPASPGUAS-GOSISDBHSA-N 399.535 3.518 0 40 GHAB CCNC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2CC)c(C)c1 97014224 FRYVUOPLJDMCDL-UHFFFAOYSA-N 394.450 3.884 0 40 GHAB CCOC(=O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(C)C)[C@H]3C2=O)ccc1Cl 100302164 XEDHQPKGHYCFHA-HLNSBACISA-N 385.847 3.775 0 40 GHAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2OC)ccc1Cl 219500493 OHRHJPAJRQJGQF-LBPRGKRZSA-N 377.824 3.931 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 222768781 XTSPPEUBTPYUAT-KRWDZBQOSA-N 396.512 3.619 0 40 GHAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1 224150576 QECMKTSQWNSFMV-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB CN(Cc1ccc(C(=O)NC2CCCCC2)cc1)S(=O)(=O)c1ccccc1 224404075 TXJCGDSJQQRNPM-UHFFFAOYSA-N 386.517 3.570 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 225083077 YPONFCMXTUWKGO-OALUTQOASA-N 396.531 3.878 0 40 GHAB O=C(NCC1CCN(C2CCOCC2)CC1)C1(c2cccs2)CCCC1 225563283 HOZJCPKIEHLTLL-UHFFFAOYSA-N 376.566 3.567 0 40 GHAB CCOc1ccccc1NC(=S)NCc1nc(-c2cccc(OC)c2)no1 225821957 ARGVKZWWJLOFTL-UHFFFAOYSA-N 384.461 3.631 0 40 GHAB COc1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1OC 408625155 IGEXSDSCWMELQZ-UHFFFAOYSA-N 390.288 3.977 0 40 GHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(O)c3)[C@](O)(C(F)(F)F)[C@H]2C1 409098687 JHYCOBQUJZSHJX-UVBSCNOISA-N 384.398 3.917 0 40 GHAB COc1cc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc(S(C)(=O)=O)c1 557676125 BWQLRVSIYUFISG-ZOCIIQOWSA-N 397.537 3.515 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CC(NC(=O)c2cccnc2)C3)c1 585104087 IYDAMAKVGCBSDV-UHFFFAOYSA-N 377.488 3.513 0 40 GHAB Cn1cc([C@@H]2CN(C(=O)Cc3c(F)cccc3Cl)Cc3ccccc32)cn1 585410173 WVOMKYVHOUVHAW-SFHVURJKSA-N 383.854 3.929 0 40 GHAB CS(=O)(=O)Nc1ccc(-c2csc(=Nc3cccc4ncccc34)[nH]2)cc1 604412620 WNZORANSNNYTOZ-UHFFFAOYSA-N 396.497 3.895 0 40 GHAB CC[C@@H](NC(=O)c1cccnc1-c1cnn(C)c1)c1nc(C(F)(F)F)cs1 611743495 VZAHMMOFFQEHOM-GFCCVEGCSA-N 395.410 3.839 0 40 GHAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)C(C)C)Cc3ccccc31)N2C 643578444 VXKTYVIEKRVPRO-UXHICEINSA-N 385.552 3.671 0 40 GHAB Clc1ccc2[nH]c3c(c2c1)C[C@@H](NCc1cn(Cc2cccnc2)nn1)CC3 647228987 HIYFDRYBUJRRLZ-INIZCTEOSA-N 392.894 3.503 0 40 GHAB Cc1cccc2c1OC[C@@H](NC(=O)N[C@H](Cc1ccccc1)c1ncco1)C2 654568706 XXCAMXGMEPXWTB-RBUKOAKNSA-N 377.444 3.570 0 40 GHAB CC(C)CCOc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)nn1 667993684 HVWJXZPGZZNMNP-SJORKVTESA-N 376.501 3.715 0 40 GHAB CC1(C)CCC(N2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)CC1 1615189716 LAYOASWWZLETFN-ICSRJNTNSA-N 385.907 3.624 0 40 GHAB Cc1nc(C)c(-c2ccc(N3CCN(Cc4ncoc4C(C)C)CC3)nn2)s1 1888904073 KRRVWLAIPRCXMJ-UHFFFAOYSA-N 398.536 3.651 0 40 GHAB COc1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)cc1OCc1cccc(F)c1 12371394 IBLWHYTZRNVMAK-AWEZNQCLSA-N 399.447 3.926 0 40 GHAB C=Cc1ccc(Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)cc1 12446393 NMXRISFLKKLNAV-UHFFFAOYSA-N 383.451 3.856 0 40 GHAB O=C1CCCN1C[C@@H](NCc1cc(Br)cs1)c1ccccc1 47794514 GLFVDEMTIKPNIJ-MRXNPFEDSA-N 379.323 3.964 0 40 GHAB CCc1nc2ccccc2n1CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 23800579 WPBGCAOVTRIWKE-UHFFFAOYSA-N 396.922 3.597 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1 3234660 UDOUGBCVQJYFRE-UHFFFAOYSA-N 391.423 3.741 0 40 GHAB C=CCOc1ccc(/C=C(\Sc2nnc(CC)o2)C(=O)O)cc1OCC 7603363 QDSVRONACJZRHH-PTNGSMBKSA-N 376.434 3.813 0 40 GHAB O=C(COc1ccccc1Cl)Nc1ccccc1C(=O)NCc1cccnc1 10313142 AHWMUJVPGAAHIC-UHFFFAOYSA-N 395.846 3.683 0 40 GHAB O=C(NCCCCCCCN1CCCC1)Nc1cccc(N2CCOC2=O)c1 72274561 LPSJWJFAVUGFCM-UHFFFAOYSA-N 388.512 3.811 0 40 GHAB O=C(Nc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1)NC1CC1 55448536 GRSQCGFRBMVSGX-UHFFFAOYSA-N 379.464 3.608 0 40 GHAB Cc1ccc([C@H](NC(=O)c2ccc(-n3cnnn3)cc2)c2ccccc2)cc1C 25029351 NFJUGYFUYVOBLS-JOCHJYFZSA-N 383.455 3.799 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 8413472 AMXRJJUNJXBHQP-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2nc(C3CC3)cs2)CC1=O 25559633 JMOBUEJWOIKRAU-LLVKDONJSA-N 391.880 3.674 0 40 GHAB CS[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)C1 107361907 ZMVQRJVKFPZPHA-JHJVBQTASA-N 387.471 3.699 0 40 GHAB CCCCCCOC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 1780717 ACDQYCBTVYHLPV-UHFFFAOYSA-N 386.473 3.985 0 40 GHAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC1CC1 57449356 IUPGOKZDJWGHFC-UHFFFAOYSA-N 399.494 3.897 0 40 GHAB O=C1OCC[C@@H]1Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 9469065 DCZKXAFQAILJFN-INIZCTEOSA-N 385.876 3.919 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 3288783 GFFNEEJQJKEHLO-WHEQGISXSA-N 381.476 3.796 0 40 GHAB O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)NC1CCCC1 27937085 PJFBKPAGJWBMLN-UHFFFAOYSA-N 380.208 3.601 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccncc1)C(=O)N(C)Cc1cccc(Cl)c1Cl 58159725 MEGJGHRJAVFQMD-QGZVFWFLSA-N 394.302 3.801 0 40 GHAB O=C(NCc1ccc(-n2cnc3ccccc32)nc1)[C@@H]1Cc2ccccc2S1 58113305 TVPDDQJZGSPEBA-FQEVSTJZSA-N 386.480 3.754 0 40 GHAB Cc1noc(C)c1COC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 24199671 CXMRTXFQJWFOJI-UHFFFAOYSA-N 389.411 3.656 0 40 GHAB COc1ccc(-c2csc3ncnc(NCCNc4ncccn4)c23)cc1 51992808 QJAOEYHFTFKQTB-UHFFFAOYSA-N 378.461 3.681 0 40 GHAB CCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 58401309 RTIPPWKQFAURAF-UHFFFAOYSA-N 376.460 3.574 0 40 GHAB CCOC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 113884328 OLMLUNBBXDKJAH-UHFFFAOYSA-N 381.881 3.661 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 28228736 FSBBZVPTZLZTDR-UHFFFAOYSA-N 392.194 3.759 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCOCC2)cc1 28286812 CPOJCCYKKBYFCQ-HXUWFJFHSA-N 396.462 3.992 0 40 GHAB C[C@@H](c1ccccc1)N(C)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12780430 JWPTUMVNNMGUKZ-HNNXBMFYSA-N 395.528 3.947 0 40 GHAB Cc1cnc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)s1 27969926 QHCZWIYTYRNGFU-UHFFFAOYSA-N 377.267 3.711 0 40 GHAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(O)cc2)nc1 2703717 ONGGULTUAFWAAG-FQEVSTJZSA-N 384.391 3.952 0 40 GHAB COc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OC)cc3)n2)cc1 3369651 LUARIMMADZPWAY-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 48358658 MBKYGWQVPPNQJU-GFCCVEGCSA-N 398.875 3.850 0 40 GHAB O=C1c2ccccc2-c2nn(C[C@H](O)COc3ccc(F)cc3)c3cccc1c23 12898562 OCUHTSSWTVEOMH-HNNXBMFYSA-N 388.398 3.827 0 40 GHAB Fc1ccc(-c2nnc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)o2)cc1 3445253 FYWMFAYWSDLBRO-UHFFFAOYSA-N 398.375 3.947 0 40 GHAB O=C(O)c1cccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)c1 3436155 HMMTYZGNGKIIOB-UHFFFAOYSA-N 395.480 3.885 0 40 GHAB Cc1nc2ccc(C(=O)N3CCN(C(=O)CCC4CCCC4)CC3)cc2nc1C 12917699 UYPHGWMKNOKTKK-UHFFFAOYSA-N 394.519 3.501 0 40 GHAB CSc1nc2nc(C)c(CC(=O)Nc3ccc(C)c(Cl)c3)c(C)n2n1 12982779 YCOMENAXVHZXEN-UHFFFAOYSA-N 375.885 3.606 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1 13000078 YJGCPVSHOBCAFH-CQSZACIVSA-N 397.899 3.799 0 40 GHAB O=C(CN1CCC(C(=O)N2CCCCC2)CC1)Nc1c(Cl)cccc1Cl 13096844 GMYCZFBIIZJLPQ-UHFFFAOYSA-N 398.334 3.656 0 40 GHAB O=[N+]([O-])c1ccc(N2N=N[C@@H]3CC[C@H](C4=CCCC4)[C@@]32N2CCOCC2)cc1 13302921 SDPUHQNZIASGFD-AQNXPRMDSA-N 383.452 3.699 0 40 GHAB COc1ccc(CCNC(=O)c2oc3c(c2C)[C@H](O)CC(C)(C)C3)cc1OC 4088892 CPFUFDGQRVCIEK-OAHLLOKOSA-N 387.476 3.584 0 40 GHAB biogenic CCN(CC)C(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 9239040 VUKKSQHLQDSKMP-QZTJIDSGSA-N 393.516 3.573 0 40 GHAB CCOC(=O)[C@](O)(c1ccc(NC(=O)c2cccs2)c(C)c1)C(F)(F)F 4208122 ONQGDMYQQHDVFF-MRXNPFEDSA-N 387.379 3.622 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccccc1 9237860 KOXFWHRCZCMWRN-IRXDYDNUSA-N 399.907 3.946 0 40 GHAB CCOC(=O)c1ccc(Cn2nnc3sc(-c4ccccc4)cc3c2=O)cc1 5183097 WGIPEGSUJFUYBQ-UHFFFAOYSA-N 391.452 3.745 0 40 GHAB Cn1c(Cc2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)nc2ccccc21 9338079 CPIKCPSIJUXQFB-UHFFFAOYSA-N 391.500 3.852 0 40 GHAB COc1cc(OC)c(NC(=O)c2nnn(-c3cccc(F)c3)c2C)cc1Cl 4316327 LVLJZBIEMIZKGF-UHFFFAOYSA-N 390.802 3.638 0 40 GHAB Cc1cc(N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)nc(C(C)C)n1 13985430 SUUGSKZPQXFALB-UHFFFAOYSA-N 391.519 3.671 0 40 GHAB O=C(NCc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 113936339 QOTSGKQGRBSDQL-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB C[C@H](N[C@@H](C)c1ccccc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1 14157550 XPXSNQFBFHDLNA-ROUUACIJSA-N 385.939 3.724 0 40 GHAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NCc1ccc(F)cc1 5466622 UQDCIDQBSWVDQY-UHFFFAOYSA-N 390.414 3.672 0 40 GHAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(N)cc1 4676317 JGYKKYBGBBCSTQ-UHFFFAOYSA-N 389.484 3.948 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 5636372 DGRZUJGNHACFSI-UHFFFAOYSA-N 388.489 3.511 0 40 GHAB Cc1cc(C)c(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(CCO)C3=O)c(O)c1 6743212 JBGHWAWAYPATHS-HXUWFJFHSA-N 397.862 3.590 0 40 GHAB O=C(CCSc1ccc(F)cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 9550283 CUYDLBXHNIKXFP-SFHVURJKSA-N 386.448 3.601 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cccc(OC(F)F)c2)c1C 7550058 VTTVPFFBEBDMNQ-GFCCVEGCSA-N 379.359 3.864 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc2c(c1)CCCC2 7688669 BFNYWHHCMKGGNA-UHFFFAOYSA-N 389.517 3.793 0 40 GHAB O=C(Oc1ccc(I)cc1)c1cc(O)nc2ccccc12 16157861 QLTXTBYIQYNXQY-UHFFFAOYSA-N 391.164 3.764 0 40 GHAB Clc1cc2c(c(CSc3nnc(NC[C@H]4CCCO4)s3)c1)OCOC2 16331073 VRTIFCPYCUDYIG-CYBMUJFWSA-N 399.925 3.941 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@H](C)c2ccccn2)cc1 8025675 SJMARHAOXXHKRA-OAHLLOKOSA-N 384.439 3.580 0 40 GHAB CCOc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 19943015 HWDXACNMAKCENC-QGZVFWFLSA-N 383.444 3.625 0 40 GHAB biogenic CCCNC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1CC(C)C)CCC3 16835394 AFJPGSNQGZRULE-LBPRGKRZSA-N 393.578 3.610 0 40 GHAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccccc1Br 16959316 NDTALRHFFDZXOS-UHFFFAOYSA-N 389.249 3.593 0 40 GHAB Cc1cc(S(=O)(=O)NCc2ccnc(N3CCCCCC3)c2)c(C)s1 95393126 NCDJLSDTXBVOCN-UHFFFAOYSA-N 379.551 3.619 0 40 GHAB COc1ccnc(N2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 69818529 WYIHNECPPGTKJE-FQEVSTJZSA-N 394.519 3.787 0 40 GHAB COC(=O)[C@@H]1c2ccccc2CCN1Cc1ccc(-n2nc(C)cc2C)cc1 95405173 RYJAWTQGRZUYGU-QFIPXVFZSA-N 375.472 3.762 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccccn2)C1=O 409325260 XIZLTRKEUYJWFZ-DHDCSXOGSA-N 387.848 3.718 0 40 GHAB COc1ccc(C(=O)Nc2c[nH]nc2[C@H]2CCCN(C(=O)C3CCCC3)C2)cc1 95998776 YKWSBEJXGCYGAU-KRWDZBQOSA-N 396.491 3.567 0 40 GHAB CC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCC1=CCCCC1 217453328 FHJMXOBTORQMJM-CQSZACIVSA-N 380.510 3.764 0 40 GHAB CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(C)CCCC(C)(C)[C@H]12 31157139 FBWWXAGANVJTLU-HEXLTJKYSA-N 378.509 3.785 0 40 GHAB biogenic,in-vitro Cc1c(CCC(=O)N[C@H](C)C(=O)O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 6075907 VSSVMIJBBAGQFJ-GFCCVEGCSA-N 399.443 3.667 0 40 GHAB biogenic Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)cc1 210838712 HJVQIEGKPCJXDA-CPNJWEJPSA-N 391.471 3.824 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 408576279 RVBVVFODWZWWFT-UHFFFAOYSA-N 382.460 3.972 0 40 GHAB Cc1nc2nc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)nn2c(C)c1C 32936511 NRDHRAOZPPADBD-SFHVURJKSA-N 395.532 3.895 0 40 GHAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 62022850 JZMCZIOJJXBECF-GOSISDBHSA-N 398.470 3.671 0 40 GHAB Cn1ncc2nc(SCc3ccc(F)cc3)n(Cc3ccccc3)c(=O)c21 64817052 PIYMTNWZKOFFHM-UHFFFAOYSA-N 380.448 3.610 0 40 GHAB O=C(C1CCOCC1)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 72362890 GUUSHIHLOAFDES-INIZCTEOSA-N 385.439 3.541 0 40 GHAB O=S1(=O)C[C@H]2N=C(SCc3ccccc3)N(c3cccc(Cl)c3)[C@@H]2C1 32640611 NNVVUKJZHWGQQI-IAGOWNOFSA-N 392.933 3.615 0 40 GHAB Cc1cccc(CN2CCC(C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)CC2)c1 39754588 PHHBRCQYBSRHBY-NHCUHLMSSA-N 385.596 3.691 0 40 GHAB COCCn1cc(CCC(=O)NC2CC(C)(C)NC(C)(C)C2)c2ccccc21 79464331 REOHQLIATTZEDE-UHFFFAOYSA-N 385.552 3.646 0 40 GHAB O=C(Nc1ccc(-n2cccn2)c(F)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 40151701 PWGPPBRKCHNLAU-CQSZACIVSA-N 398.463 3.564 0 40 GHAB CSc1cccc(N(CCCC(=O)NCC2CCCCC2)S(C)(=O)=O)c1 224804716 LJMVQQNTLVGPKY-UHFFFAOYSA-N 398.594 3.651 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)C(C)C)c2ccccc2C)cc1 225189004 OXCLJIXYCOCNHM-SFHVURJKSA-N 388.533 3.659 0 40 GHAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 223630229 YVTZEODJBXSQBM-PMACEKPBSA-N 397.475 3.836 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1C 223514296 LMKCWVGSAJNBOE-IBGZPJMESA-N 396.531 3.880 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(F)cc2)cc1 225201541 MBRZMUAWYBVAOD-MOSHPQCFSA-N 394.402 3.515 0 40 GHAB COc1cc(OC)cc(-c2nnc3sc(-c4cc(C(C)(C)C)nn4C)nn23)c1 40284504 SVCHIAKNZWFBCH-UHFFFAOYSA-N 398.492 3.568 0 40 GHAB COC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 225043859 IJTJFGGEDLEXNB-UHFFFAOYSA-N 383.469 3.825 0 40 GHAB Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225058652 ZJKOZIUFLSSAHX-NHCUHLMSSA-N 391.544 3.895 0 40 GHAB Cc1cc([C@H]2CCCCN2C(=O)c2ccc(O)nc2)nc(-c2c(C)noc2C)n1 257286623 PMGVPOAKQSERKV-QGZVFWFLSA-N 393.447 3.525 0 40 GHAB C[C@]1(O)CN(Cc2ccc(Br)cc2)CC[C@@H]1Oc1ccccc1 257313395 USFCGSWESARFFH-OALUTQOASA-N 376.294 3.853 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccncc3)CC2)n1 257229887 FZWLRBLWASKZOU-UAPYVXQJSA-N 387.487 3.946 0 40 GHAB O=C(CCC(=O)N1CCCSC[C@@H]1CN1CCCC1)c1ccc(Cl)cc1 90609003 RVKVMYRNXACVBM-SFHVURJKSA-N 394.968 3.733 0 40 GHAB O=C(NCc1ccccc1Oc1ccc(F)cc1)N1C[C@H]2CC[C@H]1[C@H](CO)C2 1616044106 AGQHSQZPGLFMCK-KNBMTAEXSA-N 384.451 3.920 0 40 GHAB CCCN(CCc1ccccn1)C(=O)c1cc(C)nc2c1nc1n2CCCCC1 48344916 BEBCXXLOWILPOD-UHFFFAOYSA-N 391.519 3.956 0 40 GHAB COc1ccc(OC)c(NC(=O)C[C@H]2Nc3cccc4cccc(c34)NC2=O)c1 5018893 USWWBZJNCHELEH-GOSISDBHSA-N 391.427 3.618 0 40 GHAB C[C@H]1CC(=O)O[C@H](C(=O)c2ccccc2)N1c1ccc(C(F)(F)F)cc1N 5551501 LQUBXNYLNJMAAV-BBATYDOGSA-N 378.350 3.638 0 40 GHAB Cc1ccc(-c2nc(NC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)O)sc2C)cc1C 5795204 SFTDCKXIQFVVIG-QXSJWSMHSA-N 386.473 3.552 0 40 GHAB Cc1ccc(C2=NO[C@@H](CC3(C(=O)NCc4ccc(C)o4)CCOCC3)C2)cc1 12157073 XDCYXDUYUBFSOR-HXUWFJFHSA-N 396.487 3.893 0 40 GHAB Cc1ccc(-c2cc(C[C@@]3(C(=O)O)CCCN(C(=O)CC(C)C)C3)on2)cc1 12366481 GFGPPFUESAMBFA-QFIPXVFZSA-N 384.476 3.932 0 40 GHAB CCN(CC)C(=O)C(=O)c1cn(CCOc2ccc(OC)cc2)c2ccccc12 14136073 MRZUUDLRAAGMFJ-UHFFFAOYSA-N 394.471 3.780 0 40 GHAB COc1ccc(C)cc1CN1CCC[C@@H]2CN(C(=O)c3cccc(F)c3)C[C@@H]21 19133539 HVZSTTHEOMPLOJ-NQIIRXRSSA-N 382.479 3.879 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccccn2)C1 19591757 BVETXYIOKUQKSV-QHCPKHFHSA-N 391.540 3.991 0 40 GHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C(C)C)CC1 19700270 WWAPYAXLRWAXQG-UHFFFAOYSA-N 378.516 3.907 0 40 GHAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3517532 AYNPEMMMTWMAFH-UHFFFAOYSA-N 398.528 3.992 0 40 GHAB COc1cccc(-n2c(=O)c3ccccc3n3c(SCC(C)C)nnc23)c1 4269266 GTKPEEWVDWEOEU-UHFFFAOYSA-N 380.473 3.790 0 40 GHAB O=C(CSc1ccc(F)cc1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 238873712 NNBZAOQJZHOERG-ZWKOTPCHSA-N 383.448 3.711 0 40 GHAB O=C(Cc1ccccc1Cl)N1CC[C@H](Oc2ccc(Br)cn2)C1 238978626 ZZXDTKXIOGNCGT-AWEZNQCLSA-N 395.684 3.720 0 40 GHAB C[C@H]1CC[C@H](C(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)CC1 1565555940 JUZRRUHOHVMRTF-WKILWMFISA-N 398.482 3.833 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccccc2Cl)c1=O 5269874 LTDCWVFVWVNXTH-UHFFFAOYSA-N 396.830 3.589 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 6441146 WRUPNNQXWQJOCK-UHFFFAOYSA-N 384.413 3.808 0 40 GHAB CCOC(=O)c1c(NC(=O)Cc2ccc3c(c2)OCO3)sc2c1CCCC2 9521364 ZWHNNQFZJOCRAA-UHFFFAOYSA-N 387.457 3.714 0 40 GHAB Cc1ccc(-n2nc(C)c3c(=O)c(C(=O)Nc4ccccc4F)c[nH]c32)cc1 10166804 MGAXZDQDMCXYOH-UHFFFAOYSA-N 376.391 3.722 0 40 GHAB CCOC(=O)c1c(NC(=O)c2cc(C)no2)sc2c1CC(C)(C)NC2(C)C 11694232 YYXMBJMJDYKNCD-UHFFFAOYSA-N 391.493 3.633 0 40 GHAB O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 13696267 APSKEHFOMYGXKR-UHFFFAOYSA-N 398.509 3.893 0 40 GHAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1c1ccccc1 207994039 AJPUDSUCYLOZCX-SFHVURJKSA-N 398.450 3.794 0 40 GHAB Cc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)n2nnnc2N3)c1 10336852 YZYBBNLLDYIWLR-FGZHOGPDSA-N 394.438 3.936 0 40 GHAB Oc1cc(OCCN2CCOCC2)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 20590091 KVCZUIUGXHELFK-UHFFFAOYSA-N 399.878 3.814 0 40 GHAB Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccc(F)cc1Cl)CC(O)=N2 40288107 GVSFGSXWACWRPP-LBPRGKRZSA-N 397.801 3.535 0 40 GHAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1cccc(Cl)c1 31035557 GGSMJJBJYBTHNY-UHFFFAOYSA-N 377.897 3.571 0 40 GHAB COc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CN(C(C)C)CC3 20289851 CISIHLUKFIDIMS-UHFFFAOYSA-N 396.516 3.906 0 40 GHAB O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccccc1OC[C@H]1CCCO1 21552303 CHEKHQKRTIELEN-MRXNPFEDSA-N 398.390 3.791 0 40 GHAB CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 32833582 POJOGTCXSXQPGB-OUKQBFOZSA-N 396.472 3.552 0 40 GHAB Cc1cc(O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl 1085609 BIWKFYBCSSJYIH-OAHLLOKOSA-N 399.878 3.852 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C[C@@H]1CCCO1)Nc1cccc(Cl)c1 1364646 DRZWRBZBZJFJOR-HNNXBMFYSA-N 392.912 3.719 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(C)o4)no3)C2)c1 1364749 MTRMSTQWFSXEHQ-AWEZNQCLSA-N 397.431 3.675 0 40 GHAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)c1 1379730 VARDJHYZPHXUPT-IBGZPJMESA-N 380.448 3.588 0 40 GHAB CC[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccc(F)cc1 1381340 UBBOVOSUNGHJQQ-JTQLQIEISA-N 391.251 3.841 0 40 GHAB Nc1nc(-c2ccc(F)cc2)cc(-c2cc(-c3ccc(F)cc3)nc(N)n2)n1 1588359 YPLPEPSUOYPILM-UHFFFAOYSA-N 376.370 3.710 0 40 GHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(Br)cc1F 2203148 RONZZIINVKPAAM-OAHLLOKOSA-N 382.185 3.887 0 40 GHAB O=C(/C=C/c1ccc(Br)cc1)N1CCN(c2ccc(F)cc2)CC1 2745470 CSMZSVLWDKDILQ-XCVCLJGOSA-N 389.268 3.950 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 2886772 UERJDNRWGYNSNI-GOSISDBHSA-N 380.444 3.653 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 3087642 ULLMLUSSEKRCML-UHFFFAOYSA-N 384.379 3.633 0 40 GHAB COc1ccc(CN(C)CC(=O)Nc2ccccc2SC)c(OC)c1OC 3360677 RJWNWYLELBWQJF-UHFFFAOYSA-N 390.505 3.505 0 40 GHAB COc1ccc(C(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1 4164633 ZPAKKYFQKHHXOM-UHFFFAOYSA-N 394.431 3.914 0 40 GHAB COc1cccc(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c1 4425601 YBJFBVHJAYUQFB-RBFDBLARSA-N 385.466 3.722 0 40 GHAB CCOC(=O)C[C@H](NC(=O)COc1ccccc1F)c1ccccc1Cl 4744229 VLJHKGLZNLJVEX-INIZCTEOSA-N 379.815 3.669 0 40 GHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1-c1ccccc1 5291805 UWHGBEWXFPVNIY-UHFFFAOYSA-N 377.444 3.547 0 40 GHAB O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(C(F)(F)F)cc1 5303730 CTBFVOJINORUHH-UHFFFAOYSA-N 375.350 3.834 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1COc2ccccc2O1 5631324 PXYBUAZZBNRRDR-YPMHNXCESA-N 382.243 3.717 0 40 GHAB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1 5668470 SRJCUTKMGUTSNP-UHFFFAOYSA-N 385.769 3.761 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(F)c1 5885942 PVIFKWYXBFOPNU-UHFFFAOYSA-N 393.358 3.671 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 6233910 XHNHTEZXFLXWHL-NSHDSACASA-N 387.288 3.607 0 40 GHAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1 6338411 JWWZFIMMBWHNBN-UHFFFAOYSA-N 386.407 3.744 0 40 GHAB COc1cccc(CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)c1 6638793 FWHCGIQKWXXJQO-GOSISDBHSA-N 379.243 3.969 0 40 GHAB C#CCOc1ccc(/C=C2/SC(=O)N(CCC)C2=O)cc1Br 6656399 HDBBRTCWCCZGNU-GXDHUFHOSA-N 380.263 3.907 0 40 GHAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 7124712 PRWMHLWJKWBQNK-OAQYLSRUSA-N 384.863 3.942 0 40 GHAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 7124721 PRWMHLWJKWBQNK-NRFANRHFSA-N 384.863 3.942 0 40 GHAB CCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)C1=CCCCC1 7425320 FTYIFKYKTFKFPZ-UHFFFAOYSA-N 387.461 3.864 0 40 GHAB CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1 7425581 FFUAYLROKPOMNP-UHFFFAOYSA-N 399.399 3.802 0 40 GHAB O=C(CSc1nnc(COc2ccccc2Cl)o1)c1ccc(O)cc1O 7781639 PPJPSAICZKQEPT-UHFFFAOYSA-N 392.820 3.688 0 40 GHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CNC(=O)c1ccccc1Cl 8279843 PUGOXEDZKNQAHO-LBPRGKRZSA-N 387.892 3.899 0 40 GHAB CCOc1ccccc1N1CCN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CC1 8394915 PHKXBNXJIZQZDT-HNNXBMFYSA-N 389.446 3.956 0 40 GHAB O=C(CNC(=O)C1CCCCC1)Nc1ccc(-c2cn3ccsc3n2)cc1 8395765 MMIVVZFROUBGRT-UHFFFAOYSA-N 382.489 3.698 0 40 GHAB Cc1ccc(C(=O)OCc2cc(=O)n3nc(-c4cccs4)sc3n2)cc1 8605599 OOGXAQDIRALUBK-UHFFFAOYSA-N 383.454 3.545 0 40 GHAB C/C=C/C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 9062307 QZYDGUIXPCDDLB-ONEGZZNKSA-N 394.456 3.981 0 40 GHAB CCCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cccs3)ccc21 9167407 NMSBIWKVVKUHMH-UHFFFAOYSA-N 394.518 3.711 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1C 9173410 MQEHAESFFVXKAS-UHFFFAOYSA-N 388.489 3.770 0 40 GHAB COCCCNC(=O)CSc1nc(C)nc2scc(-c3cccs3)c12 9806461 YKJCDIWRNDMMEJ-UHFFFAOYSA-N 393.559 3.973 0 40 GHAB Cc1cccnc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 10430821 UBESSPQQHMTXGH-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1cc(Cl)ccc1Cl 10544218 VMIBWXNUBREBGJ-CQSZACIVSA-N 379.353 3.926 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 12133403 LXVPKIPQWBBQBW-UHFFFAOYSA-N 379.243 3.920 0 40 GHAB CCn1c(CSc2nc(C)cc(C)n2)nc2cc(NC(=S)NC)ccc21 12323931 CQZGVYWBYHYVHS-UHFFFAOYSA-N 386.550 3.672 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc3c(nc4sccn43)s2)cc1 12540516 XTUDQSPFOJIPJM-UHFFFAOYSA-N 384.486 3.630 0 40 GHAB C[C@@H](Sc1ccc2c(c1)CCC2)C(=O)c1ccc(NS(C)(=O)=O)cc1 12560586 WBQAYKDJGKNKPX-CYBMUJFWSA-N 375.515 3.910 0 40 GHAB COc1ccc(-c2noc(CNC(=S)Nc3ccccc3C)n2)cc1OC 12654313 LUJYNDFJLOLXDK-UHFFFAOYSA-N 384.461 3.549 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3cccc(NS(C)(=O)=O)c3)n2)s1 12756884 NIVNMQZSYJFRHT-UHFFFAOYSA-N 393.515 3.804 0 40 GHAB CCOc1cc2c(cc1OCC)CN(C(=O)c1cc(Br)c[nH]1)CC2 12760781 AEEDXSPYMDBDCW-UHFFFAOYSA-N 393.281 3.773 0 40 GHAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(Cl)cc1Cl 12852400 YCMXYKORSXZLJU-JTQLQIEISA-N 393.274 3.622 0 40 GHAB Cc1cc(N2CCN(C(=O)/C=C/c3ccc([C@@H]4C[C@@H]4C)o3)CC2)nc(C(C)C)n1 14141500 HGIUHXVGGXTPDX-NRUXISPGSA-N 394.519 3.987 0 40 GHAB CCOc1ccc(CCNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1OCC 16645280 FENJZLOHZLZEAF-UHFFFAOYSA-N 396.487 3.805 0 40 GHAB c1ccc([C@H]2CN(Cc3cnc(N4CCOCC4)nc3)CC23CCCCC3)cc1 19370016 WRXDWGAAGZYAIE-JOCHJYFZSA-N 392.547 3.863 0 40 GHAB O=C(COC[C@H]1COc2ccccc2O1)N(Cc1cccnc1)C1CCCCC1 19375725 FTUMNOPBZNIKPB-FQEVSTJZSA-N 396.487 3.600 0 40 GHAB Cc1c(CN(Cc2ccccn2)C[C@H]2CCCO2)cnn1Cc1ccccc1 19554507 ZUXOJOSCFXVFTG-HSZRJFAPSA-N 376.504 3.816 0 40 GHAB Cc1noc(C)c1C(=O)NCCn1ncc(-c2ccncc2)c1-c1cccs1 19580259 MGRRKLNPDUWGSN-UHFFFAOYSA-N 393.472 3.708 0 40 GHAB CN(C)Cc1cc([C@H]2CCCN2C(=O)CCCc2c[nH]c3ccccc23)nn1C 19709092 SKHXFWYFONEPKA-JOCHJYFZSA-N 393.535 3.649 0 40 GHAB CCN(CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)c3cn4cccnc4n3)c2)C1 19712191 CHGNOFMKZMZGSG-QUCCMNQESA-N 393.491 3.544 0 40 GHAB Cc1ccc([C@H](c2nnnn2C(C)C)N2CCN(c3ccccc3F)CC2)cc1 20140431 SIEBBIGVFWPFEI-OAQYLSRUSA-N 394.498 3.613 0 40 GHAB CC[C@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 20451385 XJZGUGJZQUEPIH-IBGZPJMESA-N 392.496 3.639 0 40 GHAB CCN(C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1)C1CCCCC1 21284571 OVFOIWAACFMBLU-UHFFFAOYSA-N 395.499 3.647 0 40 GHAB CC(C)[C@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCCC2)CC1 22929872 POTUVEWKKVJUPS-JOCHJYFZSA-N 396.583 3.563 0 40 GHAB CCc1cc2c(CN3CCCN(Cc4ccccc4)CC3)cc(=O)oc2cc1O 22931407 JPRFGPPVMYEEDK-UHFFFAOYSA-N 392.499 3.769 0 40 GHAB CCn1c(=O)c(C)nc2cc(C(=O)NCC3(c4ccccc4)CCC3)ccc21 25070134 HBZTWHUQFKMAEE-UHFFFAOYSA-N 375.472 3.577 0 40 GHAB COc1ccc2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c(C)nc2c1 25252587 FKCUFKWLZKPANU-LJQANCHMSA-N 375.472 3.556 0 40 GHAB CN1CCN(C(=O)c2cc(F)ccc2Br)[C@H](c2ccccc2)C1 30030025 WNJWOJNDYCFYGZ-KRWDZBQOSA-N 377.257 3.717 0 40 GHAB Cc1cccc(N2CCN(CCCNC(=O)c3ccc(Cl)cc3F)CC2)c1 31234062 SZPHXWXMHOLXRW-UHFFFAOYSA-N 389.902 3.730 0 40 GHAB Cc1cnc2c(S(=O)(=O)Nc3cccc(OC[C@H]4CCCO4)c3)cccc2c1 32776776 ZJEFEKUENLNETC-LJQANCHMSA-N 398.484 3.902 0 40 GHAB COc1ccc(CC(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cc1 35597663 VOQQGAYOPFAROY-UHFFFAOYSA-N 395.434 3.833 0 40 GHAB COc1cc(OC)cc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1 36360367 SKLKFWBCMPRMOB-AWEZNQCLSA-N 399.838 3.765 0 40 GHAB O=C(O)c1ccc2c([C@@H](C(=O)O)N3CCCC3)cn(Cc3ccccc3)c2c1 36360430 SIVOMLJONRRPBG-FQEVSTJZSA-N 378.428 3.609 0 40 GHAB CCOc1ncccc1CNC(=O)c1cc2cccc(Br)c2o1 36390657 GUCLPMPTGPYNFO-UHFFFAOYSA-N 375.222 3.919 0 40 GHAB COc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1Br 36400885 KJXQLPOLMLKXJP-UHFFFAOYSA-N 376.254 3.705 0 40 GHAB CCn1cc(CNc2nc(-c3cnn(CC)c3C)cc(C(F)(F)F)n2)cn1 36614074 GKATXCYCSODCRI-UHFFFAOYSA-N 379.390 3.516 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CCC[C@H](OC)C1 36719368 PLPXYYGEVCSCJQ-KPFFTGBYSA-N 397.519 3.639 0 40 GHAB CC(C)OCCCNC(=O)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 38487955 FBIVEVWTRZOMLC-UHFFFAOYSA-N 399.882 3.528 0 40 GHAB COc1ccc(CCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38848916 WHISJVYBWVVLSP-LJQANCHMSA-N 386.923 3.920 0 40 GHAB Cc1ccc(-n2c(C)nnc2S[C@@H](C)c2nnnn2-c2ccccc2)cc1 40127222 PFZBUZPZPIQERE-AWEZNQCLSA-N 377.477 3.713 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c1 40135509 DAWRGESBFKCUEW-NRFANRHFSA-N 380.469 3.694 0 40 GHAB COc1ccc(CCNC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OC 43642811 BCEXFVUXLLWFJY-SFHVURJKSA-N 394.475 3.669 0 40 GHAB Cc1nnc([C@@H](C)Sc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)o1 48186676 VFEMXPCKTHTIAW-ABAIWWIYSA-N 389.456 3.808 0 40 GHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c(Cl)c1 57785405 DXXAWEDNEVKSLX-UHFFFAOYSA-N 378.881 3.978 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@@H]2CCN3CCCC[C@H]23)cn1 58112520 WTSWGOZLUAMXPV-QZTJIDSGSA-N 396.491 3.939 0 40 GHAB CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1Cl 58218561 SESRQPJTAYTVIF-QGZVFWFLSA-N 378.881 3.689 0 40 GHAB CC[C@@H]1CCCCN1C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[C@H](C)CC 67238781 SVJZXVHSIZVHLH-HUUCEWRRSA-N 390.553 3.887 0 40 GHAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CCCCC2 71286244 WQGBNEFINQMKDO-YLJYHZDGSA-N 384.520 3.586 0 40 GHAB COc1ccc([C@@H](CNC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)N(C)C)cc1 72280728 LMKZIIDTYCQOJN-SUMWQHHRSA-N 388.537 3.701 0 40 GHAB O=C(c1cccnc1)N1CCC(c2nccnc2Oc2ccccc2F)CC1 72362092 GAHADNXFBPPQDW-UHFFFAOYSA-N 378.407 3.823 0 40 GHAB Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)CN2CCCC2)n1 72377102 HEUDZAVUMAAHJG-GOSISDBHSA-N 399.926 3.529 0 40 GHAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2ccnc(Nc3ccccn3)n2)C1 72377515 FORGVMLAJFIWNW-MRXNPFEDSA-N 377.423 3.774 0 40 GHAB O=C(Nc1ccc(-n2cc(Br)cn2)nc1)c1cccc(Cl)c1 72400387 FNJQIDYLMLPARJ-UHFFFAOYSA-N 377.629 3.936 0 40 GHAB COc1ccc([C@H](CO)N(C)C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 78947482 KBYHYLUXFNQFIN-INIZCTEOSA-N 394.855 3.563 0 40 GHAB COc1ccc2c(c1)OC[C@@H](C(=O)Nc1cccc(-n3nc(C)cc3C)c1)C2 89595751 YUNJCYPAHJQUTF-KRWDZBQOSA-N 377.444 3.688 0 40 GHAB O=C(NC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)c1ccccn1 90591582 XMIHBLDOCPXUAT-UHFFFAOYSA-N 393.878 3.591 0 40 GHAB CC1(NC(=O)NCCC2CCN(CC(F)(F)F)CC2)Cc2ccccc2C1 92286822 RYXVRHGJVYQGDM-UHFFFAOYSA-N 383.458 3.508 0 40 GHAB COc1cc(C(=O)N2CCN(c3ccccc3C)CC2)nc2c(F)cc(F)cc12 95471756 IQVJMYKKETUEHO-UHFFFAOYSA-N 397.425 3.792 0 40 GHAB CCCc1nc(-n2cccc2)sc1C(=O)N1CCN(Cc2ccccc2)CC1 95472665 PQRCDTZINSKXOL-UHFFFAOYSA-N 394.544 3.844 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)N(C)Cc1nc(-c2ccccc2)no1 95482439 BXUWISPMUJMIRR-MRXNPFEDSA-N 381.432 3.561 0 40 GHAB COc1cccc(C2=N/C(=C\c3cc(C)n(-c4cc(C)on4)c3C)C(=O)O2)c1 96129922 VTHUGGFMKSLLSX-WQRHYEAKSA-N 377.400 3.744 0 40 GHAB C/C(=C\C(=O)Nc1ccc(CS(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 96133990 YUTIADMDNPQREG-MKMNVTDBSA-N 388.533 3.576 0 40 GHAB COC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2 103421778 ATDHJYRTFVEZAB-QINSGFPZSA-N 389.407 3.757 0 40 GHAB COc1cc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc(OC)c1OC 219298017 NKDQERKJOHKCPD-HNNXBMFYSA-N 387.476 3.920 0 40 GHAB CCc1cccc(C)c1NC(=O)CN(c1cccc(SC)c1)S(C)(=O)=O 220066587 WNEONTJJLRHIHO-UHFFFAOYSA-N 392.546 3.684 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c(C)c1 222560156 UWDJGMNGVZGWOA-KRWDZBQOSA-N 386.517 3.724 0 40 GHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cn1 222863254 GQOJDXXXDCBQIQ-WOJBJXKFSA-N 377.517 3.958 0 40 GHAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1C 223486941 VUFBLZUPWCQIQO-QGZVFWFLSA-N 388.533 3.807 0 40 GHAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)c1 223900830 WVICMPFEVAMZPC-UHFFFAOYSA-N 375.490 3.726 0 40 GHAB COc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 223984409 OXKUIOBVQPIVEL-IAGOWNOFSA-N 383.488 3.925 0 40 GHAB C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cn2)C1 224046284 PWQCZZGDKHAVEA-GJZGRUSLSA-N 398.532 3.779 0 40 GHAB CCC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC1CCCC1 224732216 KHDWXVPTVPBSJY-CYBMUJFWSA-N 381.314 3.635 0 40 GHAB O=C(COc1ccccc1)N1CCS/C1=C/c1nc(-c2ccccc2F)no1 225241444 GWVOKAWHLHKWOG-XDHOZWIPSA-N 397.431 3.829 0 40 GHAB O=C1CCCN1c1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1 225865293 PHXBSJZYPWRCRH-UHFFFAOYSA-N 380.517 3.964 0 40 GHAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257282422 OTSLUCSTKDLBGS-IBGZPJMESA-N 397.500 3.812 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3cccc(F)c3)C[C@H]2N1Cc1ccccc1 306138000 RMKDPPYETDNTHO-FCHUYYIVSA-N 375.447 3.709 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1 408555324 WLXYDICTCSTIMY-ZDUSSCGKSA-N 388.876 3.799 0 40 GHAB COc1cc(NC(=S)NC(=O)C(C)C)ccc1-c1cc2ccccc2oc1=O 408628965 YSZSAFHBIREEHV-UHFFFAOYSA-N 396.468 3.938 0 40 GHAB CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CCOC)C1=O 409124630 JZWBNFLNRCVSKP-UKTHLTGXSA-N 386.267 3.531 0 40 GHAB O=C(Cc1ccccc1)N1CCC2(CCCN(Cc3cccc(F)c3)C2=O)CC1 585102575 ZJDAFSSQZVYUQI-UHFFFAOYSA-N 394.490 3.800 0 40 GHAB Cc1cncnc1N1CCC2(CC1)Cc1ccccc1CN(CC(C)C)C2=O 585105762 JJCGPCPTJVFKSO-UHFFFAOYSA-N 378.520 3.613 0 40 GHAB O=C(Nc1nc(-c2ccco2)cs1)C1CCN(c2ccc(C3CC3)nn2)CC1 585149975 SFEFXYRFUVPCFK-UHFFFAOYSA-N 395.488 3.926 0 40 GHAB CC(C)(C)N1C[C@@H](NC(=O)C[C@H](c2ccc(Cl)cc2)n2cccc2)CC1=O 1565524829 PNBKQAHBZJRTNI-ZWKOTPCHSA-N 387.911 3.637 0 40 GHAB COCCO[C@H]1CCC2(CCN(C(=O)C3(F)CCC3)CC2)c2ccccc21 1565547411 RBSSSQMWUCZFGC-IBGZPJMESA-N 375.484 3.937 0 40 GHAB O=C(Cc1nsc2ccccc12)NCCc1nc(-c2ccccn2)cs1 1632776152 QGPDURGYYFQVST-UHFFFAOYSA-N 380.498 3.716 0 40 GHAB O=C(CC(c1ccccc1)c1ccccc1)N1CCCN([C@H]2CCOC2)CC1 1849023080 TXJMTPLNWZLHOU-QFIPXVFZSA-N 378.516 3.532 0 40 GHAB COc1cccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)n1 2037988375 BEBHVGXJUCTSEZ-BEFAXECRSA-N 383.467 3.749 0 40 GHAB CN(CCOc1ccccc1F)C(=O)Nc1cccn(Cc2ccccc2)c1=O 79072486 GKTZYCWSWQMPNB-UHFFFAOYSA-N 395.434 3.578 0 40 GHAB O=C(CN1CC(=O)Oc2ccccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 938286 BJWUAMPJHGKCST-UHFFFAOYSA-N 384.741 3.723 0 40 GHAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 54720396 JMDIKERZCWUWIL-URVUXULASA-N 392.547 3.648 0 40 GHAB COc1nc2ccccc2nc1N1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C1 105730579 WQHGDLAYEPEOQL-YESZJQIVSA-N 382.508 3.550 0 40 GHAB O=C(Nc1ncc(Cc2ccccc2)s1)c1cn(Cc2ccccc2)nn1 24499176 PEKVBVLKUXPJSE-UHFFFAOYSA-N 375.457 3.626 0 40 GHAB O=C(NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 4888491 AJNOPEGORJQWMY-UHFFFAOYSA-N 375.831 3.905 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 24572607 ZFDUHBDOYOLFPL-UHFFFAOYSA-N 393.365 3.684 0 40 GHAB CC(C)CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 6325729 WRGIEVRSPOTONI-UHFFFAOYSA-N 394.924 3.698 0 40 GHAB C[C@@H](Sc1nc2ncc(Br)cc2[nH]1)C(=O)NCc1cccs1 24766538 VBMNOSMUYZCSMT-MRVPVSSYSA-N 397.323 3.579 0 40 GHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1COc2ccccc2C1 8039259 LBWKJPAXGFTXCX-SFHVURJKSA-N 388.471 3.861 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1cccn(Cc2ccccc2Cl)c1=O 1397114 USCHHIFTHLGQFE-UHFFFAOYSA-N 382.803 3.531 0 40 GHAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)N[C@H](C)c1ccccc1 8412540 YTONZMNVRKFTMO-QGZVFWFLSA-N 382.460 3.524 0 40 GHAB COc1cc(Br)c(NC(=O)c2ccco2)c(Br)c1N 8702087 RJZQRUMBMUFIGQ-UHFFFAOYSA-N 390.031 3.648 0 40 GHAB O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1ccccc1C(F)(F)F 3242074 YCZUSKMKAAVZSO-UHFFFAOYSA-N 391.301 3.607 0 40 GHAB CCc1ccc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 12767473 CXPUMHJMGHQUSJ-OUKQBFOZSA-N 376.500 3.817 0 40 GHAB Cc1ccc(S(=O)(=O)N(Cc2ccncc2)C2CC2)c(Br)c1 58173197 QUCBLQQXRVERDQ-UHFFFAOYSA-N 381.295 3.506 0 40 GHAB Cc1cccc2c1C(=O)NCCN2C(=O)c1ccc(-c2cccs2)nc1C 95458318 HKYLRYUEDLMNDF-UHFFFAOYSA-N 377.469 3.817 0 40 GHAB CC(C)(C)c1nc([C@@H]2NC(=O)CN2Cc2ccc(Br)cc2)cs1 58166661 QDHLGGWTADJMNB-OAHLLOKOSA-N 394.338 3.834 0 40 GHAB CC(C)[C@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(=O)N(C)C 58144001 CLJHKIPYLFQIBU-MJGOQNOKSA-N 387.549 3.934 0 40 GHAB O=C1C2=C(C(c3ccccc3)=NCCN2)[C@H](c2ccccc2)N1c1ccccn1 26841128 IJEPQPAOUPTNGN-QHCPKHFHSA-N 380.451 3.516 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cccc(OC(F)F)c2)c1 3394276 OIUZNHDVOLPXSJ-LBPRGKRZSA-N 377.343 3.675 0 40 GHAB O=C(NC[C@@H]1CCOC1)c1cccnc1Oc1ccc(F)cc1Br 45038202 SIXKTBHAVXRYIB-NSHDSACASA-N 395.228 3.542 0 40 GHAB C[C@@H](CNC(=O)Cc1ccc(-n2cccn2)cc1)c1nc2ccccc2s1 84638336 DHRDIMZOUQLZEN-HNNXBMFYSA-N 376.485 3.944 0 40 GHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1C 3332458 ZRQRVMJQJWHIEI-UHFFFAOYSA-N 384.476 3.881 0 40 GHAB COC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2210375 MGEOMQWYUVZQEC-CQSZACIVSA-N 390.443 3.656 0 40 GHAB COc1cccc2c1ccn2CCNC(=O)c1ccc(Nc2ncccn2)cc1 95476488 BMOCFVPPODZCNQ-UHFFFAOYSA-N 387.443 3.614 0 40 GHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3334566 YIXHCFQWCLAIDO-NRFANRHFSA-N 398.528 3.669 0 40 GHAB CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2CCc3ccc(F)cc32)n1 58982555 VNSDRJVPCCFJQZ-UHFFFAOYSA-N 376.432 3.531 0 40 GHAB COC(=O)C1(C)[C@@H]2C3C4[C@@H]1[C@H]1CCC[C@@H]1[C@H]4[C@@](C)(C(=O)OC)[C@H]3[C@H]1CCC[C@@H]12 104294642 VLVOBUAZWXZPNE-HPMNCBQMSA-N 386.532 3.929 0 40 GHAB CCC(=O)Nc1cccc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 12876616 SKEOXDKGBQFMSL-MDZDMXLPSA-N 384.432 3.713 0 40 GHAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 60350810 HZRLWXZTUXRVKB-IUODEOHRSA-N 377.366 3.885 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3C)C2)s1 12808470 LYISFCUZACLUGY-INIZCTEOSA-N 392.546 3.713 0 40 GHAB Cc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1NS(C)(=O)=O 10314845 ZFSOMXWMVYMWPS-UHFFFAOYSA-N 398.937 3.542 0 40 GHAB COc1ccc(CCCNC(=O)c2ccccc2I)cc1 10542262 PZNSBMYMMZWHBL-UHFFFAOYSA-N 395.240 3.662 0 40 GHAB CC[C@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(C)cc1C 22327161 VTMZOYJVHQCPRR-IBGZPJMESA-N 388.533 3.645 0 40 GHAB O=S(=O)(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccccc1 2734801 GAZQSYWEMBLARQ-UHFFFAOYSA-N 381.866 3.571 0 40 GHAB O=C1N=C(O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1cccc(Cl)c1 9009582 FDGFVGHNZNBHDH-DYESRHJHSA-N 395.846 3.975 0 40 GHAB CCc1cc2oc(=O)cc(CN(CC)CC(=O)NC(C)(C)C)c2cc1Cl 48810962 CGDPQSRHPYZSIN-UHFFFAOYSA-N 378.900 3.745 0 40 GHAB COc1ccc(OCC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 9190336 ZRGGFJURTRDODO-UHFFFAOYSA-N 390.439 3.894 0 40 GHAB CCC(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@@H]1c1ccccc1C 4036282 SJZMLBMJCPXGMH-HXUWFJFHSA-N 399.516 3.844 0 40 GHAB COc1ccc(Cc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1OC 13736311 NNTVIIVAWIJGAC-UHFFFAOYSA-N 391.456 3.942 0 40 GHAB CCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nnc1-c1ccc(OC)cc1 5208362 TYPYVVJZVAZFJU-HUUCEWRRSA-N 388.537 3.570 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N3c4ccccc4CC[C@@H]3C)ccc21 14100737 XKHWMDOIMIDMBG-HNNXBMFYSA-N 384.501 3.516 0 40 GHAB CCN1CCC[C@H]1CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 9305889 IZVNIWZADSCVHW-SFHVURJKSA-N 390.483 3.983 0 40 GHAB COc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)Nc3nnnn32)cc1 6662645 BYJSSNPRGKAJJW-HOTGVXAUSA-N 386.253 3.591 0 40 GHAB CCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc12 4749528 BEHQTOYFVHTJNB-JOCHJYFZSA-N 375.472 3.558 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3cn[nH]c3-c3ccc(C)cc3)CC2)cc1 72328658 ZRWDHTDNQBOBTB-UHFFFAOYSA-N 388.471 3.550 0 40 GHAB COc1ccc(-c2nn3c(-c4c(Cl)cnn4C)nnc3s2)cc1Cl 95477571 JCYSPXDKBFLOJY-UHFFFAOYSA-N 381.248 3.569 0 40 GHAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)n1cnc2sc(C)c(C)c2c1=O 5938062 JGXMJEQQEOBKLP-UHFFFAOYSA-N 390.530 3.918 0 40 GHAB O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(C2CCCCC2)cc1 7051866 FGSISIFCBTUREG-UHFFFAOYSA-N 383.477 3.511 0 40 GHAB CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1cc(NC(C)=O)ccc1OC 15547575 MXLIIUFPMRHKER-QGZVFWFLSA-N 387.505 3.663 0 40 GHAB CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccccc2Cc2ccccc2)c1 7311139 FOIPDJKNJHRDBQ-UHFFFAOYSA-N 395.480 3.747 0 40 GHAB O=C(CCc1nc(-c2ccccc2)no1)Nc1nc(-c2cccnc2)cs1 72405503 VMRDRBJJIJQJDR-UHFFFAOYSA-N 377.429 3.826 0 40 GHAB CC(C)C(NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(C)C 113956702 QXNAHSKQLJIEJH-UHFFFAOYSA-N 380.554 3.662 0 40 GHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2nc(C(C)(C)C)cs2)CC1=O 7814011 BDGGCJRYPHZQMM-CYBMUJFWSA-N 387.505 3.831 0 40 GHAB O=C(CCN1C(=O)CSc2ccccc21)Nc1cccc(Br)c1 7914266 YFOGGXLAMZYSGH-UHFFFAOYSA-N 391.290 3.917 0 40 GHAB Cc1ccc2nc(CSc3nnc(C4CC4)n3-c3ccccc3)cc(=O)n2c1 8026540 IHUMKDSHGSMPPL-UHFFFAOYSA-N 389.484 3.753 0 40 GHAB CN(Cc1ccsc1)S(=O)(=O)c1ccc(Br)cc1Cl 8059547 SHLHKBCVJGAJLM-UHFFFAOYSA-N 380.716 3.985 0 40 GHAB O=c1[nH]nc(SCc2nc(-c3cccc(Cl)c3)no2)n1Cc1ccccc1 16818528 YNFGTVFIFGDYAM-UHFFFAOYSA-N 399.863 3.615 0 40 GHAB Nc1nc(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n[nH]1 8672589 KZFDZCIQEBDPCT-UHFFFAOYSA-N 391.909 3.922 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CSc1ccc3c(c1)CCC3)CC2 8748092 RGIDDAJAWBPZEE-UHFFFAOYSA-N 383.513 3.870 0 40 GHAB CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OC)c1 8867736 MCPYFAMHVCLKFO-FQEVSTJZSA-N 393.439 3.773 0 40 GHAB CCC[C@]1(C(F)(F)F)CCCN1S(=O)(=O)c1cc(OC)ccc1OC 95428008 XATWIBDEWVPDTC-OAHLLOKOSA-N 381.416 3.590 0 40 GHAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc(Oc2ccncc2)cc1 65023012 ZMQQVGZDZXWKNY-UHFFFAOYSA-N 389.333 3.693 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 25874889 OQMKFCMKLORWFP-CQSZACIVSA-N 375.490 3.622 0 40 GHAB O=C(c1ccc(F)cc1)N1CC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306130353 JDJUPHFPYCALBN-GOSISDBHSA-N 387.418 3.560 0 40 GHAB COc1cccc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccc2)c1 306123514 APDWXVPDKRSAJI-GOTSBHOMSA-N 387.483 3.578 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Br)cc2)o1 39477354 LRNHQIIAWAEBMT-NSHDSACASA-N 396.310 3.992 0 40 GHAB CCCOc1ccc([C@@H]2N[C@@H](C(=O)OC)Cc3c2[nH]c2ccccc32)cc1OC 35828016 NWWCSUHMXMMXGJ-NQIIRXRSSA-N 394.471 3.742 0 40 GHAB biogenic COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)Cc3ccncc3)n2)c1 72357927 SVYXYYUOJWKSQX-HSZRJFAPSA-N 387.483 3.982 0 40 GHAB COc1ccccc1-n1ccn2c(SCc3cc(C)ccc3C)nnc2c1=O 64593068 JCVRMYGQIAVOFU-UHFFFAOYSA-N 392.484 3.798 0 40 GHAB COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 35289597 ILAHWMMSTYSIBT-GOSISDBHSA-N 387.867 3.661 0 40 GHAB C[C@H]1CCC[C@H](NC(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)[C@@H]1C 32957467 RQYHGRKSCNFSKA-MDOVXXIYSA-N 383.488 3.948 0 40 GHAB COc1ccccc1NC(=O)[C@@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32087958 KHDOLZXUPWMOLK-INIZCTEOSA-N 380.379 3.869 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)nc2O)cc1 32778607 KDXXHSCBTAAWRI-UHFFFAOYSA-N 380.473 3.900 0 40 GHAB Cn1ccc2c(NC(=O)Cn3nc(-c4ccccc4Cl)ccc3=O)cccc21 71285113 PXXRKWQEOQYITC-UHFFFAOYSA-N 392.846 3.694 0 40 GHAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)c2ccc(F)cc2)cc1 72354627 USRWKDDJSUAICO-LJQANCHMSA-N 392.434 3.851 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3cccc4ccccc34)ccc21 222899349 ZDUGWLRJBRCIFM-UHFFFAOYSA-N 398.509 3.715 0 40 GHAB Cc1ccc(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1S(C)(=O)=O 133287004 DWPILJLIKIPJJY-MRXNPFEDSA-N 378.881 3.861 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3OC)o2)c(OC)c1 224868738 IUETZQGKVGVJTC-UHFFFAOYSA-N 382.416 3.939 0 40 GHAB CCc1ccc(OCC(=O)NCCc2ccc(F)cc2)c(Br)c1 224247655 PZVWNVPFQNWBKC-UHFFFAOYSA-N 380.257 3.888 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1 223147918 SHZOQYWUQJPTHB-LJQANCHMSA-N 388.895 3.581 0 40 GHAB C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1)c1ccsc1 225436254 DRQVPGSHOMNZCQ-AWEZNQCLSA-N 381.457 3.794 0 40 GHAB O=C(OC1CN(c2nc3ccccc3s2)C1)C1(c2ccccc2)CCOCC1 77101005 VTKFIBSDWPXKCG-UHFFFAOYSA-N 394.496 3.777 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@H](C)C(=O)NC(C)C)cc1 225528096 FWGVLEDNFVYGHS-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB CCCOCc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)ccc1OC 224417811 JVRNMEQMRZPZQI-UHFFFAOYSA-N 398.503 3.593 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1F 222935987 ZKKBPALAPKCTJZ-CQSZACIVSA-N 376.859 3.575 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 222850778 JIAGXUQYYRHHAE-OAQYLSRUSA-N 382.504 3.570 0 40 GHAB COC[C@H]1CC2(CCN(Cc3ccc(C)s3)CC2)CN1Cc1ccccn1 96051796 OUFGANBEMXYQAG-HXUWFJFHSA-N 385.577 3.955 0 40 GHAB COc1cc(-c2ccnc3nc(Cc4ccc(F)cc4)nn23)cc(OC)c1OC 95479988 UJLIPEJDWQTBPV-UHFFFAOYSA-N 394.406 3.547 0 40 GHAB COc1cccc(CNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)c1 257288681 PVDPCZGCDHWDSL-UHFFFAOYSA-N 375.472 3.749 0 40 GHAB COc1ccccc1OCC(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 606440680 OPUQHZWFYRKBOB-CYBMUJFWSA-N 389.498 3.714 0 40 GHAB C[C@@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cn(C)c2ccccc12 1609635985 KWKWDFNVGLXRQY-JLTOFOAXSA-N 389.455 3.575 0 40 GHAB COC(=O)[C@@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)c1ccccc1F 610692647 HKKRUKLSYMPALR-ZBEGNZNMSA-N 383.341 3.979 0 40 GHAB Cc1ccccc1[C@H]1CN(CCOc2ccc(C(=O)O)cc2Cl)CCO1 652417339 LQFZVIPCKIIKDB-LJQANCHMSA-N 375.852 3.799 0 40 GHAB O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)N1CC[C@@H]2C[C@@H]2C1 667075692 BERMDZKIVBGHAH-MWLCHTKSSA-N 384.383 3.977 0 40 GHAB COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)CCc2nc(O)c3ccccc3n2)c1 680196962 PMBMVWGYVHUUAS-QRWLVFNGSA-N 391.471 3.886 0 40 GHAB O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)[C@H]1CC(=O)N(Cc2ccccc2)C1 575443951 BOOWHZKUOMUEJI-UWJYYQICSA-N 387.483 3.710 0 40 GHAB Cc1ccc(OC[C@H](O)CNCc2cc3c(C)ccc(C)c3nc2O)cc1C 585285171 OTKKCNKYIFOCNJ-LJQANCHMSA-N 380.488 3.704 0 40 GHAB COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1OC(F)F 32938630 MSBRNPSRLCMCGI-UHFFFAOYSA-N 377.387 3.984 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)NCCOc1ccc(Cl)cc1 43668888 WEJRFJDYUZDJCU-UHFFFAOYSA-N 377.828 3.508 0 40 GHAB Cc1nccn1-c1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1 12143639 SSISOKUXROQOMV-IRLDBZIGSA-N 396.441 3.568 0 40 GHAB Cn1c(=O)oc2cc(NCc3cc(-c4ccc(Cl)cc4)c[nH]c3=O)ccc21 12144101 FRINWURUXPVEFB-UHFFFAOYSA-N 381.819 3.752 0 40 GHAB CC(C)c1nc2ccccc2c2nn(Cc3cc4c(cc3Cl)OCO4)c(=O)n12 12181866 MTAJMFVWAFHGSK-UHFFFAOYSA-N 396.834 3.598 0 40 GHAB O=C(Cc1ccc(F)cc1)N1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 12184707 RVRZTOYFCLZWMQ-UHFFFAOYSA-N 388.826 3.793 0 40 GHAB O=C(CCc1ccccc1)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 12256833 KNJRLJROCRZKQT-LJQANCHMSA-N 388.471 3.583 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CSc1nnnn1-c1cccc(C)c1C 15512281 LUSJYOQSIARNTR-UHFFFAOYSA-N 387.896 3.972 0 40 GHAB CCCOc1ccc(/C=c2/sc3nc(/C=C/c4cccs4)nn3c2=O)cc1 16807447 QHAREKUWQHZRQJ-QDNZWQKDSA-N 395.509 3.719 0 40 GHAB Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)on1 19121376 GCBDDBVJSFUKPW-MRXNPFEDSA-N 396.495 3.772 0 40 GHAB Cn1ccnc1[C@H](NC(=O)[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1 19291185 HISDHZJSKBUWOC-NHCUHLMSSA-N 392.478 3.602 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)cc2NC1=O 19462102 SLBRJTPRBKYFCM-YBTHPKLGSA-N 399.834 3.581 0 40 GHAB CCC(=O)N1CC[C@](Cc2ccccc2-c2ccncc2)(C(=O)NCC(C)C)C1 19498491 LZOKUTQRTMLITR-XMMPIXPASA-N 393.531 3.692 0 40 GHAB Cc1nn(CC(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)c(C)c1C 19556530 WFKSFQQWIGZIOV-ZDXQCDESSA-N 394.563 3.677 0 40 GHAB COc1cc(/C=C/C(=O)OC/C=C/c2ccc3c(c2)OCO3)cc(OC)c1OC 1688748 XSDSFWOIAZLXLB-NNMZAIBHSA-N 398.411 3.711 0 40 GHAB CC[C@H](CNC(=O)N1C[C@@H](C)[C@@](C)(CO)C1)Cc1cccc(Br)c1 664171838 CAIUKGYYPRMAFM-ZRGWGRIASA-N 397.357 3.678 0 40 GHAB COc1ccc(-c2ccc(C[C@H]3CN(C(=O)CC(C)C)CCNC3=O)cc2)cc1 19446483 GJOKEKLFSKGTAH-NRFANRHFSA-N 394.515 3.525 0 40 GHAB COc1cc(OC)c(OC)cc1CN1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19594965 NADXULOTRDBKSP-MRXNPFEDSA-N 381.476 3.968 0 40 GHAB O=C(CCCc1nc(-c2ccccc2)no1)NCc1ccc(OC(F)F)cc1 11515948 DHTVSTATJBYRQO-UHFFFAOYSA-N 387.386 3.977 0 40 GHAB CCc1ncnc(N(C)CC2CCN(c3ncnc4ccc(F)cc34)CC2)c1F 1888914123 MNIKTPMVKQNLNT-UHFFFAOYSA-N 398.461 3.613 0 40 GHAB FC(F)(F)c1cc(OC2CN(C3CCN(Cc4ccccc4)CC3)C2)ccn1 1889136262 UEPPWHITJJDHFY-UHFFFAOYSA-N 391.437 3.828 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 4251169 YJZIWVRTUWYQLE-UHFFFAOYSA-N 391.452 3.886 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)c(O)n1)Nc1ccc(Cl)cc1 4317405 LBEOAFCJWVZSLT-UHFFFAOYSA-N 386.864 3.552 0 40 GHAB CCOc1cccc2sc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc12 5268541 YIQIRRUXERJLAA-UHFFFAOYSA-N 399.491 3.725 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1 5269971 JGCZDXXCDRVKSF-UHFFFAOYSA-N 395.846 3.761 0 40 GHAB CCOc1ccccc1NC(=O)NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9040293 SEPVAAZVWVCVHO-AWEZNQCLSA-N 387.867 3.913 0 40 GHAB Nc1sc(SCC(=O)Nc2ccc3c(c2)OCO3)nc1-c1ccccc1 11693806 JEPFJJGQXCPWIF-UHFFFAOYSA-N 385.470 3.852 0 40 GHAB COc1cccc(CN2Cc3cn(CC4CC4)nc3[C@H](COCC3CC3)C2)c1 2055751206 VDGFXLSQOXXSJD-NRFANRHFSA-N 381.520 3.828 0 40 GHAB O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)NCc1ccc(Cl)cc1 49409428 JKOXBWQDPIDHPR-UHFFFAOYSA-N 378.819 3.797 0 40 GHAB O=C(NC[C@@H](OCCO)c1ccsc1)C1c2ccccc2Oc2ccccc21 575618731 BRBCEEUUKAIFGS-HXUWFJFHSA-N 395.480 3.852 0 40 GHAB O=S(=O)(NCC[C@@H](CCO)c1ccsc1)c1ccc(C(F)(F)F)cc1 575606273 FVFBVNSHODNUQO-LBPRGKRZSA-N 393.452 3.602 0 40 GHAB COc1ccccc1[C@H](NC(=O)c1csc(-c2ccco2)n1)c1nccn1C 40052505 SMLUVKAQPBGFFI-KRWDZBQOSA-N 394.456 3.665 0 40 GHAB CCc1ccc(CCC(=O)N2CCC(C(=O)Nc3cc(C)ccn3)CC2)cc1 40150283 BPHGFJNDDAIRBR-UHFFFAOYSA-N 379.504 3.762 0 40 GHAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 40122768 NAROPWOUMGQRST-UHFFFAOYSA-N 381.451 3.741 0 40 GHAB COc1ccccc1[C@@H](O)CNC(=O)Nc1ccc(OC(F)F)c(Cl)c1 40103221 IAVOHHOIFCYHRK-ZDUSSCGKSA-N 386.782 3.805 0 40 GHAB C[C@H](Sc1nnc2ccc(C(F)(F)F)cn12)c1nnnn1-c1ccccc1 40127879 OUDIJIQQYYUAER-JTQLQIEISA-N 391.382 3.577 0 40 GHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 30668263 FATLWVIUFMSJRL-OAHLLOKOSA-N 393.418 3.557 0 40 GHAB COc1ccccc1NC(=O)[C@H]1CC(O)=Nc2c(-c3ccc(F)cc3)cnn21 32092198 WNAXSKMGMGFVMR-MRXNPFEDSA-N 380.379 3.869 0 40 GHAB COCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3cccc(OC)c3)nc21 20604450 DNOWXKVYQJABKO-UHFFFAOYSA-N 393.415 3.714 0 40 GHAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(-c3ccccc3OC)o1)C2 32103089 CNLIXMADCBSXCJ-QGZVFWFLSA-N 398.440 3.662 0 40 GHAB C/C=C/c1cc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc(OC)c1OC 32760846 ODAXBPUEKNFSPJ-LAQIPUCWSA-N 375.852 3.854 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)NCCSc1ccccc1)c1cccc(F)c1 32802415 MHOWAUNWQZTGLR-SFHVURJKSA-N 384.480 3.740 0 40 GHAB CN(CC1CCCCC1)C(=O)c1cn(-c2cccc(Br)c2)nn1 32818152 WLFHIUHCFRJHCV-UHFFFAOYSA-N 377.286 3.682 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2cccnc2Sc2ccccc2)CC1 22507891 PGJHBRLOOHFDTH-UHFFFAOYSA-N 385.489 3.584 0 40 GHAB O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)c1cccc[n+]1[O-] 104431271 JNGWMTVDPGMIGC-UHFFFAOYSA-N 375.306 3.778 0 40 GHAB Cc1ccccc1-c1noc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 12325990 ROJHRVXANXPKOX-KRWDZBQOSA-N 376.460 3.896 0 40 GHAB CCOC(=O)Cn1nc(C2CC2)c2c(C(F)F)cc(-c3cn(C)nc3C)nc21 12396305 HIBMOOAUDSOAKP-UHFFFAOYSA-N 389.406 3.518 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2O)o1 970944 HVSIMYIKDWWJSM-UHFFFAOYSA-N 391.836 3.835 0 40 GHAB CCc1ccc2c(c1)c1nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nc1n2C 1366165 ZGABUYRQOMVFEA-XJKSGUPXSA-N 397.548 3.866 0 40 GHAB COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NCc2ccccc2)cc1OC 1381198 SFVGKKQFENXTCE-FQEVSTJZSA-N 395.411 3.511 0 40 GHAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(-c2nnco2)c1 79072316 CSFOJZMODHNZCO-GOSISDBHSA-N 377.448 3.999 0 40 GHAB COC(=O)C[C@H](C)N(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1713695 UQVFKHFDIJAEAW-AWEZNQCLSA-N 381.881 3.795 0 40 GHAB CC(C)c1ccc(CCNC(=O)CNC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 104742885 AMQLDWFANUUESD-GKBFQHABSA-N 385.552 3.593 0 40 GHAB C[C@@H](NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)[C@H]1CCCO1 2780626 TVHVDNWNFNFEMU-MWLCHTKSSA-N 379.810 3.507 0 40 GHAB CC(C)Cc1ccc([C@@H](NC(=O)CN2CSCC2=O)c2cccs2)cc1 24111390 MMPJUDNVFKKPLD-HXUWFJFHSA-N 388.558 3.685 0 40 GHAB O=C(Cn1c(CO)nc2ccccc21)NCCC(c1ccccc1)c1ccccc1 12551412 LGGWERDBKJYASE-UHFFFAOYSA-N 399.494 3.867 0 40 GHAB CCOc1ccccc1NC(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1 4388935 OQPCEYLLBHKFND-UHFFFAOYSA-N 381.476 3.820 0 40 GHAB COCCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1C(C)C 4861109 CTBSYEUFOXALGQ-UHFFFAOYSA-N 382.917 3.741 0 40 GHAB O=C(NC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1cccc(F)c1 4888489 VFVDRBYPVRVSOP-UHFFFAOYSA-N 375.831 3.905 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCc2ccccc21 4976912 BYBYNNCMELHTLN-UHFFFAOYSA-N 392.528 3.960 0 40 GHAB CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2N2CCOCC2)cc1 6790595 WHXGZOWISCUJQG-UHFFFAOYSA-N 382.460 3.524 0 40 GHAB O=C(Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S)Nc1ccccn1 7099915 BNYUAHIMVVPDIE-UHFFFAOYSA-N 396.472 3.697 0 40 GHAB CC(C)C(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(C)C 7881174 HGHKCJBWGLNXHG-UHFFFAOYSA-N 386.945 3.535 0 40 GHAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3Cc3ccccc3)cc2o1 12557223 MZSMAYVLNYKHCO-UHFFFAOYSA-N 380.425 3.513 0 40 GHAB CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 8080832 ASEXBOHBAPXXEW-UHFFFAOYSA-N 386.517 3.984 0 40 GHAB CC1CCN([C@H](CNC(=O)c2cc3ccccc3[nH]c2=O)c2cccs2)CC1 25382176 XHHKINMDWDEJLA-LJQANCHMSA-N 395.528 3.793 0 40 GHAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)NCCc1ccc(F)cc1 3334652 OYEFNWXNCPJUGH-UHFFFAOYSA-N 392.430 3.816 0 40 GHAB Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 55150976 JSHMIHINSGOWJM-DLBZAZTESA-N 378.428 3.853 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)NC1CCN(Cc2ccccn2)CC1 48340910 GMSCTXQKSXMCLM-UHFFFAOYSA-N 376.504 3.666 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3nnc(-c4ccco4)s3)C2)cc1 48332361 PGOBKKNBSPUOID-HNNXBMFYSA-N 396.472 3.597 0 40 GHAB NC(=O)Cn1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1 48341415 GANMWRFYLCGFIG-UHFFFAOYSA-N 382.873 3.577 0 40 GHAB C[C@@]1(c2ccccc2)NC(=O)N(Cc2csc(-c3ccc(F)cc3)n2)C1=O 12898377 PIJPKLMTSRHYQS-FQEVSTJZSA-N 381.432 3.916 0 40 GHAB O=C(NCc1nnc2ccccn12)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 36396806 XEUONFRHWJIIAF-HUUCEWRRSA-N 389.484 3.705 0 40 GHAB Cc1cc(C(=O)COC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c(C)[nH]1 22417274 FURSBAXKOZMXJN-UHFFFAOYSA-N 383.444 3.641 0 40 GHAB C[C@H](NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)c1ccc(Br)cc1 12815961 WYLGQZFYQWXMHT-HXPMCKFVSA-N 388.261 3.798 0 40 GHAB CC(C)Cc1nc2oc3c(N4CCN(C)CC4)ncnc3c2c2c1CCCC2 2359666 LJCWUELATGEQAX-UHFFFAOYSA-N 379.508 3.600 0 40 GHAB CCc1cc(=O)n(CC(=O)N(C)c2cccc(Cl)c2)c(-c2ccc(F)cc2)n1 57508835 ZWBDKPUNDFSBSL-UHFFFAOYSA-N 399.853 3.928 0 40 GHAB O=C1CC2(CCN(CC(=O)c3c[nH]c4ccc(F)cc34)CC2)Oc2ccccc21 57823365 ATPCRSOFVRLVCM-UHFFFAOYSA-N 392.430 3.990 0 40 GHAB Cc1nc2c(cc1C(=O)N(C)Cc1ccc(Br)s1)c(C)nn2C 29760607 DPHVIUPQLLKTBB-UHFFFAOYSA-N 393.310 3.681 0 40 GHAB O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCc2ccccc21 2616491 HVLLYQXKSFBCPH-UHFFFAOYSA-N 381.435 3.648 0 40 GHAB CCN(CC)CCN(CC(C)C)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 58438878 KPWKRKOJJYMWRN-FQEVSTJZSA-N 392.588 3.816 0 40 GHAB Cc1nccn1-c1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1 28306441 HUDVNIWXHGKIOD-UHFFFAOYSA-N 381.823 3.924 0 40 GHAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N[C@H](c1ccccc1)C1CC1 12912890 FLZQRKHOJRTIBK-JOCHJYFZSA-N 387.483 3.945 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1ccccc1OC 12980434 ZQTDWPIMFIMCJK-UHFFFAOYSA-N 399.878 3.566 0 40 GHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(CN(CC)CC)o3)c2)n1 49305040 WMOHLNHKQLVOKM-UHFFFAOYSA-N 394.475 3.686 0 40 GHAB O=C1O[C@@H](Nc2ncc(Br)cc2Br)c2ccccc21 13648197 HMCWALZNDPNFKV-GFCCVEGCSA-N 384.027 3.888 0 40 GHAB COc1ccccc1NC(=O)CSc1nnnn1-c1ccc2ccccc2c1 5015318 UXXFDKZWHWQVDA-UHFFFAOYSA-N 391.456 3.555 0 40 GHAB O=C(CCSCCC(=O)Nc1cccnc1Cl)Nc1cccnc1Cl 6330489 RQPFUNBKQKIFRC-UHFFFAOYSA-N 399.303 3.874 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)o1)N(Cc1ccccc1F)C1CC1 14094823 HXAXSCPNGZIRPI-UHFFFAOYSA-N 384.436 3.554 0 40 GHAB CC(C)(C)c1ccc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1 5322272 ZZOSYONRCIQDEH-UHFFFAOYSA-N 389.488 3.943 0 40 GHAB COc1ccc(CNC(=O)CN[C@H](C)c2ccc3c(c2)CCCC3)cc1OC 14183632 AUMVENQVJZKHRK-MRXNPFEDSA-N 382.504 3.550 0 40 GHAB COc1ccc(NCc2nc(-c3ccccc3OC)no2)cc1OC(F)F 23902775 RCEKNEZNAVJLJW-UHFFFAOYSA-N 377.347 3.967 0 40 GHAB COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1c(C)cc(C)cc1C)CC2 5427913 CLLAJLWLBDXQIJ-MRXNPFEDSA-N 389.517 3.937 0 40 GHAB CCc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4ccco4)n23)cc1 306126066 DLHBNPKFNSWZHC-UHFFFAOYSA-N 391.519 3.537 0 40 GHAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc(-n2ccnn2)cc1 95460934 QBDIIQPMINGMOS-GOSISDBHSA-N 379.468 3.756 0 40 GHAB CC(C)Cn1c(SCCSc2ccccc2)nnc1N1CCOCC1 95455409 BQVODLAOOVHERW-UHFFFAOYSA-N 378.567 3.655 0 40 GHAB Cc1cccc2nc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cn12 7738547 SBTJTDMAAMQGAI-UHFFFAOYSA-N 386.459 3.880 0 40 GHAB O=C(Nc1nnc(CCCOc2ccccc2)s1)c1ccc2c(c1)OCO2 9698634 FGLUACCIJZQPSF-UHFFFAOYSA-N 383.429 3.531 0 40 GHAB CCNC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1ccc(OCC)cc1 9690984 QBZRHYRPERAZHK-UHFFFAOYSA-N 391.855 3.789 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 8562971 TXEKUHROTWFKGI-SFHVURJKSA-N 382.460 3.635 0 40 GHAB COc1ccc(-c2nc(CC(=O)NC[C@@H](c3ccccc3)N(C)C)cs2)cc1 8772518 LZLMVTBSBVDHGL-FQEVSTJZSA-N 395.528 3.780 0 40 GHAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1 8746179 JUZWIQWGVSHJQQ-HXUWFJFHSA-N 395.459 3.780 0 40 GHAB CCOc1cc(CNC(=O)CN(Cc2ccccc2)Cc2ccccc2)ccn1 84805136 CSQNSHPQLJGSIL-UHFFFAOYSA-N 389.499 3.799 0 40 GHAB C[C@@H](Sc1nc2ccccc2o1)C(=O)N1CCN(Cc2ccccc2)CC1 22024853 ILDKEXAXHPIWRE-MRXNPFEDSA-N 381.501 3.653 0 40 GHAB CC(C)[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 8878909 KFJBUDMDXADBFX-ZDUSSCGKSA-N 387.530 3.700 0 40 GHAB Cc1csc([C@H](C)NC(=O)N2CCC(CN3CCc4ccccc43)CC2)n1 95957626 GVEUHGMROMWYMU-INIZCTEOSA-N 384.549 3.997 0 40 GHAB Cc1ccn2cc(CNC(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)nc2n1 89700937 VZKYSJNNSJMERI-KBPBESRZSA-N 375.259 3.764 0 40 GHAB CCCCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 409130525 HYCSPBNFOWTSBL-UHFFFAOYSA-N 388.533 3.723 0 40 GHAB Cc1cc(C)cc(N(CCCC(=O)Nc2cccc(F)c2)S(C)(=O)=O)c1 113967097 BEEZFVUPJJSFHD-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB COc1cc(C(=O)NCCSCc2cccc(C)c2)cc(OC)c1OC 408578071 SMTDFBDRXMJZHV-UHFFFAOYSA-N 375.490 3.684 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 5849161 VCORYDJHKAEFLU-UHFFFAOYSA-N 382.489 3.838 0 40 GHAB CC(C)c1ncsc1C(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 515135964 FKYLQAPNEVVFQO-CHWSQXEVSA-N 376.482 3.868 0 40 GHAB CN(C)c1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)nc1 521052538 AUMWSMBYQOVTNO-UHFFFAOYSA-N 381.457 3.900 0 40 GHAB CC(C)(C)OC(=O)N[C@@H]1CCCN([C@@H](C(=O)O)c2ccc3ccccc3c2)C1 215747702 NYKMXWYQTZZMKF-RTBURBONSA-N 384.476 3.955 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)NC[C@H](c2ccsc2)c2ccco2)c1 669461726 MIWIQHXTVNXWFI-QGZVFWFLSA-N 375.471 3.654 0 40 GHAB O=C(COc1cccc2ccccc12)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 32117713 JTZUDACMMOZSKJ-HNAYVOBHSA-N 392.377 3.858 0 40 GHAB Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)nc1 72377681 KYTLRTJVPWTSGZ-IBGZPJMESA-N 387.487 3.872 0 40 GHAB CCOc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2NC(C)=O)cc1C 72414592 SSSUNWIAMPCQKA-UHFFFAOYSA-N 383.853 3.773 0 40 GHAB C[C@H](c1ccc(F)cc1)N1CC[C@H](Nc2cccc([C@H]3CCC(=O)N3)c2)C1=O 568491856 UDVSPEUENVBPKU-XMCHAPAWSA-N 381.451 3.551 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1F 225009232 MGHFFJKYPPQZQJ-SJORKVTESA-N 386.467 3.537 0 40 GHAB COc1ccccc1CCCNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44906641 NGOPAKPWMBTWIG-FQEVSTJZSA-N 384.495 3.795 0 40 GHAB COc1cc(CNC(=O)c2ccc(Cn3ccnc3)cc2)ccc1OC(C)C 44905320 FPZVVPRRPMVFJV-UHFFFAOYSA-N 379.460 3.657 0 40 GHAB O=C(NCCSc1ccccc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 222681122 CZXNZRWAAAKVJM-SILNSSARSA-N 392.480 3.959 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 222444266 VQQLWCNLBQABDU-OAHLLOKOSA-N 390.936 3.904 0 40 GHAB COc1ccccc1CCNC(=O)CSc1nc2cc(Cl)ccc2n1C 44049713 SACZWVXTINLZIF-UHFFFAOYSA-N 389.908 3.686 0 40 GHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)c2)cc1 224144832 SRAJLBOIWPEKIW-CBGDNZLLSA-N 398.528 3.739 0 40 GHAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C 223514882 FSBXNSDWCXGZOL-HXUWFJFHSA-N 396.531 3.750 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3C(F)(F)F)ccc21 96967652 BSMYWMQBBZOBFG-UHFFFAOYSA-N 398.406 3.805 0 40 GHAB O=C(c1ccncc1)N1C[C@@H]2CN(Cc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 96245556 ZZHAEMLSMFOZCD-PSWAGMNNSA-N 383.495 3.953 0 40 GHAB COC(=O)C[C@@H](c1ccco1)c1oc(CSc2ccccc2)cc(=O)c1O 95477899 RFMHAOKALFHUAG-HNNXBMFYSA-N 386.425 3.926 0 40 GHAB CN(CCCCCCN(C)C(=O)Oc1cccnc1)C(=O)Oc1cccnc1 95830674 YCEBUCSHXWRUJW-UHFFFAOYSA-N 386.452 3.598 0 40 GHAB Cc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4cccnc4)C[C@@H]3C)[nH]c12 585083098 PFTOWWNSCUZLEQ-HNNXBMFYSA-N 382.895 3.871 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)nc(O)n1 257266344 MCPAYARDBGFEFB-QGZVFWFLSA-N 398.850 3.700 0 40 GHAB O=C(c1noc(-c2cccc(F)c2)n1)N1CCC[C@H]1c1cccc2c1OCCO2 608012660 OQRFWHFUZWALSS-INIZCTEOSA-N 395.390 3.624 0 40 GHAB Cc1nccn1-c1ccc(CNC(=O)c2cc(O)cc(C(F)(F)F)c2)cc1F 646756347 NBYGNRMTVYPOBB-UHFFFAOYSA-N 393.340 3.974 0 40 GHAB Cc1cc(OCC(=O)NC(=S)Nc2ccccc2C(=O)O)cc(C)c1Cl 5894575 NQCCXMMYXBVMSQ-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cnn(-c2ccccc2)n1 575621602 ZGCZUYKUFAATJY-UHFFFAOYSA-N 384.443 3.719 0 40 GHAB Cc1cc(NC(=O)NCc2cccc(C(N)=O)c2)ccc1Oc1cccnc1 66001743 BWZFUHMOCVVXFI-UHFFFAOYSA-N 376.416 3.603 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cncc(Br)c1 31467431 XWMNNBJAFUYNNA-UHFFFAOYSA-N 390.281 3.643 0 40 GHAB O=S(=O)(Nc1cc(Cc2ccccc2)ccc1O)c1c[nH]c2ncccc12 72312880 UGOSECDSLZVFFB-UHFFFAOYSA-N 379.441 3.660 0 40 GHAB CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)Cc1ccsc1)c1ccccc1O2 72327860 PJSWSQNYJOBTAS-PGRDOPGGSA-N 398.528 3.702 0 40 GHAB CC(C)Cc1nnc([C@H](C)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)o1 95957580 SPOAWEZTGSDDKL-KRWDZBQOSA-N 392.507 3.608 0 40 GHAB CCc1ccc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cc1 1615156257 MLRGOBHIGBCXDW-HSZRJFAPSA-N 382.479 3.786 0 40 GHAB Cc1cc(C)c(-n2cccn2)c(CN(CCCN(C)C)Cc2ccccn2)c1 12118132 IWGRROXODUAICZ-UHFFFAOYSA-N 377.536 3.838 0 40 GHAB C[C@@H]1CCc2noc(C3CCN(C(=O)c4cc(-c5cccn5C)n[nH]4)CC3)c2C1 12119931 BIDUZCWTMXICAH-CQSZACIVSA-N 393.491 3.548 0 40 GHAB O=C(CCc1ccccc1)N[C@@H]1CCCC[C@H]1NC(=O)CCc1ccccc1 12376265 YKCNXRROQYJCMF-FGZHOGPDSA-N 378.516 3.796 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCCN1CCc2ccccc21 13613492 JUZLTWWKARYCNB-UHFFFAOYSA-N 399.343 3.866 0 40 GHAB CN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 13672725 MAJMPODGUKZIKD-UHFFFAOYSA-N 398.459 3.684 0 40 GHAB COc1ccccc1CN(Cc1cccnc1)S(=O)(=O)Cc1ccc(C)cc1 19210465 MANLNVFHRZLUBQ-UHFFFAOYSA-N 396.512 3.931 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)on2)cc1 19718912 MLYFLIFOMDWNIX-UHFFFAOYSA-N 392.390 3.986 0 40 GHAB Cc1c(C(=O)Nc2ccc(F)c(F)c2F)nnn1-c1ccc(OC(F)F)cc1 19911369 OUMVGJRYSCUZOS-UHFFFAOYSA-N 398.291 3.847 0 40 GHAB CC(C)N1CCC(C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)CC1 12087868 BOQJLCQCFKKKTO-UHFFFAOYSA-N 380.536 3.643 0 40 GHAB CCOc1ccc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 12275804 UESOFCXDHXCWBR-UHFFFAOYSA-N 379.464 3.613 0 40 GHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4ccccc4C)C[C@H]23)cc1 19237237 DKZAFWSTVWSGMA-WXFUMESZSA-N 378.516 3.840 0 40 GHAB O=C(NCc1ccccc1)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889191577 YYGMMMPIPPGLHK-DOTOQJQBSA-N 390.409 3.521 0 40 GHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(Cl)nc1 14571099 WAJOGOINPZAKRW-UHFFFAOYSA-N 391.258 3.677 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 4251166 UQFRBMFRZUTKRE-UHFFFAOYSA-N 391.452 3.886 0 40 GHAB Cc1nc(-c2ccccc2)sc1CCNS(=O)(=O)c1ccc(F)cc1 4392333 WHXPATVYQVHNAJ-UHFFFAOYSA-N 376.478 3.779 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCCc3ccccc32)c(Cl)c1 4520594 MSZNYIYEICZQJS-UHFFFAOYSA-N 390.892 3.608 0 40 GHAB COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1c(C)cc(C)cc1C 7457129 JTHCFTCPNQBVCM-UHFFFAOYSA-N 377.444 3.727 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O 11693300 HIZBOIZCVXERFR-MRXNPFEDSA-N 391.446 3.807 0 40 GHAB Cc1ccc(C)c(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)c1 22732519 AASLYCUMASUTQR-MRXNPFEDSA-N 392.546 3.937 0 40 GHAB Cc1noc(C)c1S(=O)(=O)N1CCS[C@H](c2ccccc2Cl)CC1 207001213 BFJCKZOFHXDKAU-HNNXBMFYSA-N 386.926 3.814 0 40 GHAB O=C(/C=C/c1ccco1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217367466 XBGQNEGMWCTCFE-BQYQJAHWSA-N 398.478 3.966 0 40 GHAB COc1ccc(C(=O)NCc2ccc([C@@H](O)c3ccccc3)s2)cc1OC 217547900 DPJDZPOFIPEQGG-FQEVSTJZSA-N 383.469 3.777 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCS[C@@H](c2ccccc2F)CC1 219162270 JAJAQYOBBJVKIC-LJQANCHMSA-N 393.505 3.630 0 40 GHAB O=C(NCc1cccc(Cl)c1)c1nc(-c2nc(-c3ccncc3)no2)cs1 49409763 UBHHHBHEQZAHKV-UHFFFAOYSA-N 397.847 3.839 0 40 GHAB O=C(c1ccccc1Cl)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575614361 ZXOSABHYHSDQMU-LBPRGKRZSA-N 396.672 3.576 0 40 GHAB O=C(Cc1ccc(F)cc1)Nc1nnc(-c2cccc(Br)c2)o1 36680956 MODBTCWMIGTDHY-UHFFFAOYSA-N 376.185 3.819 0 40 GHAB O=C(OC1CN(c2nc3ccc(F)cc3s2)C1)c1ccc(Br)o1 77200610 LRWFGLOJNDISRI-UHFFFAOYSA-N 397.225 3.837 0 40 GHAB Cc1cc(N(C)C)ccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 40111696 YVLCUSOBQUOVHB-UHFFFAOYSA-N 396.878 3.821 0 40 GHAB CC(C)C(=O)Nc1ccc(CNC(=O)c2ccccc2OC[C@H]2CCCO2)cc1 32899285 WTDDVLKRXJAXAI-LJQANCHMSA-N 396.487 3.769 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1C 32899738 BXSZBPWIYZJVTB-QFIPXVFZSA-N 375.472 3.906 0 40 GHAB CCN(C(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1nc2ccccc2s1 32808788 ADANKRZIRISHJP-UHFFFAOYSA-N 381.436 3.991 0 40 GHAB COc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)c2)c1 102626012 LBEJLKFWOWFLSF-XMCHAPAWSA-N 392.455 3.873 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc3ccccc3c2O)CC1 32909949 ICIPVNOCGSZZKX-UHFFFAOYSA-N 394.858 3.797 0 40 GHAB COc1cccc(-n2ccnc2SCCCN2C(=O)c3ccccc3C2=O)c1 32908010 WGCVFAOUKWKIBB-UHFFFAOYSA-N 393.468 3.659 0 40 GHAB CCn1c(S)nc2cc(C(=O)N[C@@H]3CCc4cc(Cl)ccc43)ccc2c1=O 103469614 TYTLWBVVYQIERK-MRXNPFEDSA-N 399.903 3.776 0 40 GHAB O=C(OC[C@H]1COc2ccccc2O1)c1cnn(Cc2ccccc2Cl)c1 22886949 WOLNARHZIKMYHG-MRXNPFEDSA-N 384.819 3.582 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(Cc2ccsc2)CC1 22912423 UKNBWPGWMDZUIG-CQSZACIVSA-N 393.940 3.555 0 40 GHAB Cc1sc2ncn(CC(=O)N3CCCC3)c(=O)c2c1-c1ccc(Cl)cc1 812690 KHRRGSKOOLJVDL-UHFFFAOYSA-N 387.892 3.709 0 40 GHAB COc1ccc(OCCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 1778238 LPEZLJTWTQUMKZ-UHFFFAOYSA-N 388.489 3.532 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)n(-c2ccccc2)n1 2638582 RGYOVXFHXCWKQI-UHFFFAOYSA-N 384.395 3.915 0 40 GHAB CC(C)C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 2662905 JFWFJEGFCBDKSO-SFHVURJKSA-N 384.863 3.667 0 40 GHAB COc1cc(-c2nnc(-c3cc(C(F)(F)F)n(C)n3)o2)ccc1OC(F)F 2803203 XISGYEUQRAGAEG-UHFFFAOYSA-N 390.268 3.766 0 40 GHAB COc1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1OC 3304101 QGUYHSDIFRDUHA-UHFFFAOYSA-N 396.443 3.690 0 40 GHAB CN(C)CC(C)(C)CNCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3310791 WQDWEUZOLACDIH-UHFFFAOYSA-N 399.379 3.840 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(I)c2)c1 3556031 CFWHXCASWAVPKH-UHFFFAOYSA-N 395.196 3.639 0 40 GHAB O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1c(-c3cccnc3)ccc(=O)n1C2 3841865 KOPSTMXPQXRGNM-FUHWJXTLSA-N 386.455 3.562 0 40 GHAB biogenic,in-vitro C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 4263134 BQIAHDPSLBYMNS-SECBINFHSA-N 397.132 3.632 0 40 GHAB CCOc1ccc2nc(N(CCN(C)C)C(=O)Cc3ccccc3)sc2c1 4359150 HXSONFDJUXKEQF-UHFFFAOYSA-N 383.517 3.832 0 40 GHAB COc1ccccc1NC(=O)NC1(C(=O)NCc2cccs2)CCCCC1 4981966 ZOVBHDXMPHZAIL-UHFFFAOYSA-N 387.505 3.898 0 40 GHAB C[C@@H]1Cc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2N1S(C)(=O)=O 5278477 GRHQYYJGVSMJKB-LLVKDONJSA-N 398.406 3.668 0 40 GHAB CCOc1ncccc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 5965966 VYTHJAQBYSFXNO-AWEZNQCLSA-N 383.473 3.916 0 40 GHAB CCOC(=O)CSCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 6558755 JLJUCRYKPGNBHZ-UHFFFAOYSA-N 391.876 3.806 0 40 GHAB O=C(Nc1ccccc1N1CCCC1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 6653515 GUOYFTBKZALIEQ-QGZVFWFLSA-N 397.906 3.927 0 40 GHAB CCC(=O)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCS(=O)(=O)C1 6661606 VZJFOSNEKQOGBB-HNNXBMFYSA-N 381.881 3.526 0 40 GHAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)cc1 6680745 CCAYFSVAVZWDHK-UHFFFAOYSA-N 394.518 3.574 0 40 GHAB CCn1c(SCc2ccc(C(=O)N3CCCC3)cc2)nnc1-c1ccncc1 6776043 GHEHXLJSVJXAPK-UHFFFAOYSA-N 393.516 3.888 0 40 GHAB CSc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 6818987 LZCBNRHAAUTAMM-CYBMUJFWSA-N 396.559 3.509 0 40 GHAB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 6948569 YEBNAPWVUIRVCX-LICLKQGHSA-N 399.447 3.567 0 40 GHAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)NC(c1ccccc1)c1ccccc1 7046619 ZUQMXMFUDDHTQU-UHFFFAOYSA-N 390.483 3.602 0 40 GHAB COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)N(C)c1ccccc1 7266331 UXJUIPALVZDFPB-CQSZACIVSA-N 391.309 3.941 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSc1cc(F)ccc1F 7308391 PLJGBXSYQBLWQT-UHFFFAOYSA-N 378.444 3.771 0 40 GHAB COc1cc(OC)c(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1OC 7447688 POORXXLSGCRUSC-UHFFFAOYSA-N 398.503 3.628 0 40 GHAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 7786396 FGGYRODYFVMYBK-UHFFFAOYSA-N 389.807 3.738 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)cc2Cl)cc1 7787256 BXOLEZGQEPBXBI-KRWDZBQOSA-N 396.871 3.579 0 40 GHAB COc1ccc2oc(C(=O)NCc3cc(OC)c(OC)cc3OC)c(C)c2c1 7980501 QPXGJFARSHBHRG-UHFFFAOYSA-N 385.416 3.706 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccc2c(c1)OCCO2 7985612 QGSKCKVTMGVAFR-UHFFFAOYSA-N 395.484 3.991 0 40 GHAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc(-c2ccccc2)cc1 8281818 AXQYCRWOQNFAOJ-NRFANRHFSA-N 389.407 3.675 0 40 GHAB Cn1c(SCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)nnc1-c1ccc(F)cc1 8473123 NLGRFMMWTZDOMO-YOEHRIQHSA-N 388.512 3.895 0 40 GHAB C[C@@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)Nc1ccccc1 8640295 AMITWKQANYYQHC-LLVKDONJSA-N 385.514 3.983 0 40 GHAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccnn2C2CCCC2)cc1 8720221 JDNSXSDLRLONON-UHFFFAOYSA-N 397.504 3.923 0 40 GHAB O=C(CCCSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1cccs1 8720506 JINRCDFLUBLQIP-UHFFFAOYSA-N 396.559 3.683 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1F)c1ccc(F)cc1 8810891 JWASBOPFZAPDQH-UHFFFAOYSA-N 394.443 3.782 0 40 GHAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(N2CCCC2)cc1 9379173 ATOPAMDRWZNWLO-UHFFFAOYSA-N 385.518 3.864 0 40 GHAB C=Cn1nnc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1 10119647 SYUHROXHCJEABN-GQCTYLIASA-N 376.203 3.992 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(C(C)(C)C)cc3)cc2c1 11330443 OWIQNCFZSYCOLL-UHFFFAOYSA-N 392.499 3.769 0 40 GHAB COc1ccccc1OCC(=O)OCc1cc(-c2ccc(F)cc2F)on1 11613684 MDRAKVULOHGKSP-UHFFFAOYSA-N 375.327 3.751 0 40 GHAB Cc1cccc2cc3c(nc12)O[C@H](C)C(=O)N(Cc1ccc2c(c1)OCO2)C3 12115619 UZIHISBNQABPHG-CQSZACIVSA-N 376.412 3.582 0 40 GHAB CC(C)N1CCC(NC(=O)Cn2c(-c3cccs3)cc3cccnc32)CC1 12118269 KKPJSMUURWBREL-UHFFFAOYSA-N 382.533 3.754 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1ccc(Br)cc1)c1ccccc1F 12507147 CPKIOYOORAYWAN-MRXNPFEDSA-N 388.240 3.841 0 40 GHAB Cc1ccc(C)c(OCCCN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1 12824318 UGNLVPFRPCJTMP-FQEVSTJZSA-N 391.471 3.717 0 40 GHAB FC(F)(F)c1nnc2ccc(NCc3ccc(CN4CCCCC4)cc3)nn12 12866523 NXEXZHMRKZHGTA-UHFFFAOYSA-N 390.413 3.741 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)CNC(=O)N[C@H]1CCCC[C@@H]1C 12930196 BISRAKINAKYAGJ-HOCLYGCPSA-N 375.513 3.809 0 40 GHAB CCOc1cc(CN(c2ncnc3c2cnn3C)C2CC2)ccc1OC(F)F 12971769 ULPKFYKHAUNGMZ-UHFFFAOYSA-N 389.406 3.532 0 40 GHAB CCN(CC)[C@H](CNC(=O)CCc1cc(OC)cc(OC)c1)c1ccccc1 13013116 IJJLVGPRNXDLCU-JOCHJYFZSA-N 384.520 3.836 0 40 GHAB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2C)cc1OCC 13648274 XPTIWJUOFRNTFQ-MRXNPFEDSA-N 377.506 3.973 0 40 GHAB CC[C@@H](C(=O)N1CCCc2ccccc21)N(c1ccc(C)cc1)S(C)(=O)=O 13713989 OZIJFAWFNQGULD-IBGZPJMESA-N 386.517 3.519 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccncc2)no1 16845995 ODVXDSCOYJIQNO-UHFFFAOYSA-N 398.469 3.685 0 40 GHAB COc1ccccc1OCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 18075360 OKLLQXRVZIYOQO-LBPRGKRZSA-N 384.259 3.965 0 40 GHAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1nc2c(s1)CCCC2 18179220 FIPWPTXZBNABRP-UHFFFAOYSA-N 396.501 3.572 0 40 GHAB Cc1ccc([C@H](CNC(=O)C[C@H](C)n2nc(C)c(Cl)c2C)N(C)C)cc1 19136442 GGNHOLIDFMZPMA-KSSFIOAISA-N 376.932 3.832 0 40 GHAB CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1ccc2c(c1)OCCO2 19589288 PLENEFXMLXMQOH-TXTKFYIRSA-N 382.479 3.659 0 40 GHAB COc1cc(CN2CC[C@@H]3[C@H]2CCCCN3C(C)=O)ccc1OC1CCCC1 19712473 QUAWEHBGENPDMT-NHCUHLMSSA-N 386.536 3.992 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-n3nnnc3C)cc2)cc1 19716994 XDNZTZMARDDNBC-NRFANRHFSA-N 391.475 3.737 0 40 GHAB O=C(NCc1ccccc1N1CCCC1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 19718886 LBWQMAKZSZVNRG-QGZVFWFLSA-N 397.906 3.610 0 40 GHAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C(\Cl)c1cccc(C)c1 19944819 VEQUERJLYWOXAF-YBEGLDIGSA-N 375.852 3.688 0 40 GHAB CC[C@H](C(=O)Nc1cccc(OC)c1)n1nc(-c2ccc(C)cc2)ccc1=O 20095371 WFKZYPPWTMEBKN-HXUWFJFHSA-N 377.444 3.817 0 40 GHAB Cc1cc(C(F)(F)F)nn1CCc1nn2c(-c3cccs3)nnc2s1 20606486 PFAREMBXWNMIEA-UHFFFAOYSA-N 384.412 3.681 0 40 GHAB O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)NC3CCCCC3)ccc21 20765563 KQEYZSDKIXTGKB-UHFFFAOYSA-N 398.528 3.891 0 40 GHAB CCOc1ccccc1N1CCN(C(=O)c2ccc(Br)s2)CC1 21329992 QTNBORVBXWKYEV-UHFFFAOYSA-N 395.322 3.872 0 40 GHAB CN(C)[C@H](CNCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccco1 22038391 BQMLKBGPKLNYML-CQSZACIVSA-N 389.805 3.783 0 40 GHAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 22456583 CJJVXNOYKGNHAB-UHFFFAOYSA-N 384.295 3.669 0 40 GHAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1COc2ccc(Cl)cc2C1 24217523 YMPZBSVAHBCUIO-AWEZNQCLSA-N 385.876 3.972 0 40 GHAB COc1ccc(CN(C)C(=O)c2cccc(Nc3ncccn3)c2)cc1OC 24644404 KJLJXJUCPBPZDU-UHFFFAOYSA-N 378.432 3.510 0 40 GHAB O=C(NCCCn1ccc2ccccc21)NCc1cccc(NC(=O)C2CC2)c1 24968575 RNAHZVAAORXLPC-UHFFFAOYSA-N 390.487 3.879 0 40 GHAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC2(CC1)OCCO2 24995800 XTYDWTPNXJDADJ-UHFFFAOYSA-N 381.350 3.945 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)Oc1ccc(N2CCCC2=O)cc1 25042680 GNGHGCTYBCFFBP-UHFFFAOYSA-N 376.412 3.925 0 40 GHAB COc1cc(CN[C@H]2CCCc3ccccc32)ccc1OCC(=O)N1CCCC1 25259797 YUIWOQFZBIJXBA-NRFANRHFSA-N 394.515 3.864 0 40 GHAB COc1ccc2c(CC(=O)N[C@@H](CN3CCCC3)c3ccccc3)coc2c1 29177860 RZHAZBGNDGROCH-NRFANRHFSA-N 378.472 3.937 0 40 GHAB O=C(c1cnc2ccccc2c1S(=O)(=O)c1ccccc1)N1CCCCC1 33249257 FWVIQWDEIHRYGZ-UHFFFAOYSA-N 380.469 3.694 0 40 GHAB O=C(CN1CCN(c2ncccn2)CC1)c1c(-c2ccccc2)[nH]c2ccccc12 36447671 BZOPQPYQHIPVHV-UHFFFAOYSA-N 397.482 3.630 0 40 GHAB COc1cccc(-c2ccc(=O)n(Cc3nc(-c4ccc(C)c(C)c4)no3)n2)c1 38652047 YFHNNWWNFAHCFF-UHFFFAOYSA-N 388.427 3.634 0 40 GHAB O=C(Cc1ccc(NC(=O)C2(c3cccs3)CCCC2)cc1)N1CCOCC1 38678083 CPGYLFVUILODML-UHFFFAOYSA-N 398.528 3.600 0 40 GHAB Cc1cc([C@@H](C)NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c(C)s1 40074215 IVVHNOJEIBKXBC-GFCCVEGCSA-N 381.457 3.698 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)ccc2s1 40082351 ZGWPAEVIXPSUDQ-INIZCTEOSA-N 395.436 3.798 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCCO3)C1 40090855 XFAQCVVUXZCDBO-IYBDPMFKSA-N 394.471 3.828 0 40 GHAB Cc1ccn(-c2ccc(-c3ncco3)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1 40428793 IGFSMGCBFTXTJK-UHFFFAOYSA-N 395.422 3.993 0 40 GHAB Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)Nc1ccccc1 44849127 MQIJBPWRXJFDIU-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CCN(C(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1ccccc1C 48234705 CWBGJMRAIIYVAZ-UHFFFAOYSA-N 391.397 3.664 0 40 GHAB CC(C)[C@@H](NCC(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1 57383476 GIZAADQGXIBHPL-LJQANCHMSA-N 394.924 3.669 0 40 GHAB C[C@H]1CCCC[C@H]1N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 57698497 SVSXLBRHFDFOOD-FXAWDEMLSA-N 378.582 3.869 0 40 GHAB Cc1nc2ccc(C(=O)NCCCc3nc4c(s3)CCCC4)cc2nc1C 58293384 XWCRWRQZHWWKRJ-UHFFFAOYSA-N 380.517 3.945 0 40 GHAB C[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2csc(NC(=O)c3ccco3)n2)C1 67517437 DZVZGQDGCAWLLX-IIAWOOMASA-N 387.505 3.958 0 40 GHAB O=C(c1ccccc1Cl)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70637576 OKMWNVPLMVYOKT-UHFFFAOYSA-N 378.863 3.759 0 40 GHAB COCCn1cc(C(=O)Nc2nc3c(s2)CCCCC3)c2ccccc2c1=O 71284162 VVMGDEYPNMYBCB-UHFFFAOYSA-N 397.500 3.626 0 40 GHAB O=C(Cc1ccccn1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 72358857 QDSNVHUZUKPHMJ-KRWDZBQOSA-N 376.435 3.626 0 40 GHAB CCc1cc(C(=O)N2CCC[C@H](c3cncc(Oc4cccc(F)c4)n3)C2)on1 72362965 MJIZNGLETQAREI-AWEZNQCLSA-N 396.422 3.978 0 40 GHAB O=c1cc(CN2CCSc3ccc(C(F)(F)F)cc32)nc2ccccn12 79103623 LDEMFBUULGJWPR-UHFFFAOYSA-N 377.391 3.826 0 40 GHAB COc1cc(CCC(=O)Nc2ccc3[nH]c(CCc4ccccc4)nc3c2)on1 79494726 FPLFDEGKEBHMCG-UHFFFAOYSA-N 390.443 3.916 0 40 GHAB Cn1ccnc1SCC1CCN(C(=O)CSCc2ccccc2)CC1 90608181 ZWPBKYSSAKFSHR-UHFFFAOYSA-N 375.563 3.684 0 40 GHAB COc1cc(C(=O)NCC2(c3ccncc3)CCCC2)ccc1OC(F)F 95453018 NGPLVBMIBBZTLQ-UHFFFAOYSA-N 376.403 3.933 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCCO4)n[nH]2)cc1OC 95480397 ZMNWCMWWFCYIFF-UHFFFAOYSA-N 395.415 3.508 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2OC(F)(F)F)c1 96009605 ZILQZEMMLREYIX-UHFFFAOYSA-N 393.770 3.894 0 40 GHAB O=C1c2ccccc2C(=O)N1CCOc1ccc(-c2nc3ncccc3o2)cc1 96345791 ZSUXNAKVFCHPGA-UHFFFAOYSA-N 385.379 3.565 0 40 GHAB CC(C)C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102020657 CMRQGHRWOKPBJA-JKIFEVAISA-N 392.858 3.784 0 40 GHAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 113953902 DMJOFJVSNCWRIX-KRWDZBQOSA-N 396.487 3.688 0 40 GHAB O=C(NCC(=O)N1CCS[C@@H](c2cccs2)CC1)OCc1ccccc1 219511435 DZIOBIXVLPMGBE-QGZVFWFLSA-N 390.530 3.681 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1Cl 220358552 POHVGOWPRSBLPJ-CQSZACIVSA-N 388.961 3.600 0 40 GHAB CCN(CC)c1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223415969 YBSFHRUVHOPNSF-UHFFFAOYSA-N 396.896 3.774 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 224222099 QVLKSTNZIFZOSV-NRFANRHFSA-N 382.504 3.626 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 224812640 GRKVZHUXTOORJD-INIZCTEOSA-N 388.895 3.662 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1C 225070181 NOPRWGBDGWEBBS-HXUWFJFHSA-N 396.531 3.668 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1 225457685 DBCOPBLAAWWDPT-WIYYLYMNSA-N 382.504 3.788 0 40 GHAB CO[C@@]1(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)CCC[C@@H](C)C1 225634383 NUHHPCPZTRPWRZ-VGSWGCGISA-N 388.508 3.612 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccc(F)cc3)ccc21 225729097 WBTHCKCZLXQZPY-GFCCVEGCSA-N 394.493 3.652 0 40 GHAB Cc1cccc(C(=O)N2[C@@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3)n1 257213221 CGQZSNDCMSCFBJ-CHSSDKTLSA-N 375.516 3.746 0 40 GHAB CC[C@H](O)Cn1nc(-c2cc(C(=O)O)ccc2OC)cc1-c1cccc(F)c1 257224410 FBSFTLLHFKIUNJ-INIZCTEOSA-N 384.407 3.834 0 40 GHAB Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)CC3CCOCC3)CC2)c1 257237398 HGGUQKQXTGBUFT-UHFFFAOYSA-N 383.492 3.876 0 40 GHAB Cn1ccnc1CN1CCC2(CC1)CO[C@@H]1c3ccc(O)cc3OC(C)(C)[C@H]1C2 257265224 LXUKIGKJEAZNFN-GHTZIAJQSA-N 397.519 3.657 0 40 GHAB COc1cccc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccc2)c1 306123515 APDWXVPDKRSAJI-PKTZIBPZSA-N 387.483 3.578 0 40 GHAB Cc1occc1C(=O)N1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306144294 ZBSLUMXSWGAGAS-SFHVURJKSA-N 387.443 3.713 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2ncc(F)cn2)C1 390828538 RUAKMPQFPTXASY-IBGZPJMESA-N 392.434 3.568 0 40 GHAB O=C(CNC[C@H]1CC[C@H](C(=O)O)CC1)OCC1c2ccccc2-c2ccccc21 575444917 IPLFYSZHICEXRE-QAQDUYKDSA-N 393.483 3.823 0 40 GHAB COc1ccc2cc(C(=O)NC[C@@H](c3cc4ccccc4o3)N(C)C)[nH]c2c1 575621074 NKYQESWCSLNASJ-IBGZPJMESA-N 377.444 3.955 0 40 GHAB C[C@H]1CN(Cc2csc(COc3ccccc3)n2)c2ccccc2C(=O)N1 585084973 BBCIFXHMTRMTCT-HNNXBMFYSA-N 379.485 3.861 0 40 GHAB CC(C)[C@H]1N(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)CC12CC=CC2 585089043 PYVGZYPGYSQGOY-OAQYLSRUSA-N 395.547 3.925 0 40 GHAB CCCc1ccc(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)cc1 585111172 HNWPJAUVGFSRAT-QFIPXVFZSA-N 389.499 3.928 0 40 GHAB O=C(Nc1ccccn1)c1nnc(N2CCC3(CCCCC3)CC2)n1CC1CC1 612858814 VHJSLQUMSLXUTE-UHFFFAOYSA-N 394.523 3.886 0 40 GHAB O=C(O)[C@@H]1CCN(Cc2nnsc2Cl)c2ccc(Br)cc21 635018742 LTMGJPQQXYNGMG-MRVPVSSYSA-N 388.674 3.533 0 40 GHAB CC12CC(CN1C(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)C2 663638975 TVADGTGLNHOEQT-ZHTDJMBKSA-N 395.425 3.563 0 40 GHAB Cc1cccnc1OCC1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1 1775969851 OQGDTSNOSWKRNE-UHFFFAOYSA-N 376.460 3.507 0 40 GHAB Cc1cc(C)nc(Nc2cc(CC3CCN(C(=O)OC(C)(C)C)CC3)ncn2)n1 2037834941 KAFZFGUECGCSDA-UHFFFAOYSA-N 398.511 3.817 0 40 GHAB NC(=O)CC1(COc2ccccc2)CCN(C(=O)c2ccc(Cl)cc2)CC1 2037905354 NGCUTWQXKJIEPT-UHFFFAOYSA-N 386.879 3.517 0 40 GHAB OCc1ccccc1CN(Cc1ccnc(N2CCCC2)n1)c1ccc(F)cc1 12364386 FVGBVTKQHZSNQK-UHFFFAOYSA-N 392.478 3.915 0 40 GHAB CC(C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn12 12409299 SOCWWUQRXZGZAF-OAHLLOKOSA-N 399.303 3.712 0 40 GHAB CCOc1cc(C)ccc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 12420633 URVVWWOLSBFTNE-UHFFFAOYSA-N 394.924 3.558 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)c(OC)c1 877838 FBDWATZGHYXZFP-UHFFFAOYSA-N 398.488 3.539 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)no1 945076 HYZLKFAATFZTOQ-UHFFFAOYSA-N 391.836 3.690 0 40 GHAB CCc1ccc(NC(=N)Nc2nc(O)cc(CSc3ccccn3)n2)cc1 9089832 SLPIRABVJGYWDC-UHFFFAOYSA-N 380.477 3.891 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1c(F)cccc1Cl 79482389 POHPLPIYYWWQRF-INIZCTEOSA-N 397.859 3.971 0 40 GHAB O=C(O)CC[C@@H]1COCCN1C(=O)OCC1c2ccccc2-c2ccccc21 2527117 WSFJOVZKNJSBBN-OAHLLOKOSA-N 381.428 3.501 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 24149436 OYJSSJNXSHFXCT-DHZHZOJOSA-N 393.512 3.663 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)cc2)cc1 4757047 OIGPFCBNKUJPEC-XAUMDUMWSA-N 384.501 3.714 0 40 GHAB Cc1ccc(C(=O)Nc2cccc([C@H]3N=C(N)Nc4nc5ccccc5n43)c2)cc1 4865053 DPYQEUXTHYXTPL-FQEVSTJZSA-N 396.454 3.884 0 40 GHAB COCCN(C(=O)c1ccccc1OC)c1nnc(-c2cccc(C)c2)s1 4982543 AQARMAIZBLOVFQ-UHFFFAOYSA-N 383.473 3.815 0 40 GHAB CCOc1ccc(C(=O)Nc2ncc(I)cc2C)cc1 6517953 GDNAKTLZJIFDLO-UHFFFAOYSA-N 382.201 3.646 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(C)c1 6629803 BTDUNPHDTXZGCE-UHFFFAOYSA-N 381.505 3.598 0 40 GHAB CCc1nc(NC(=O)COC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)sc1C 95985519 DGJLBGGLQZVTRQ-AWEZNQCLSA-N 397.541 3.616 0 40 GHAB O=Cc1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 7929468 HQTGWLGREBJSIT-LBPRGKRZSA-N 378.211 3.764 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1OCC 8055252 SAQHBKLZELFFLV-MRXNPFEDSA-N 377.506 3.784 0 40 GHAB O=C(N[C@H]1CCSc2ccccc21)C1CCN(C(=O)c2cccs2)CC1 8394480 RMGHOYILUMIZKG-INIZCTEOSA-N 386.542 3.954 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)c3c(C)[nH]c4ccccc34)C(=O)[C@H]2C)cc1 8394553 KVEHXROUIMCHDM-OAHLLOKOSA-N 375.428 3.825 0 40 GHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccccc3F)ccc21 8958699 GMUIZMSJUCSHLW-UHFFFAOYSA-N 386.423 3.615 0 40 GHAB CCOc1ccc(NC(=O)c2nnsc2NC(=O)Nc2ccccc2)cc1 1417011 MWCCOPILSOPHDZ-UHFFFAOYSA-N 383.433 3.833 0 40 GHAB COc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 3224724 CAWSHQGMMMOJNV-UHFFFAOYSA-N 379.485 3.962 0 40 GHAB CCC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2cccc(OC)c2)CC1 57669483 BXCJZRZVOPDDFF-OAQYLSRUSA-N 398.555 3.850 0 40 GHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(C(F)(F)F)cn1 25778154 DKRODAGUGRTBFE-UHFFFAOYSA-N 380.370 3.524 0 40 GHAB O=C(Nc1ccccc1O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 107342944 RMRNSDFXGFKIHE-UHFFFAOYSA-N 382.729 3.897 0 40 GHAB Cc1noc(C)c1CN(C(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1 25885380 ZEYALOHVBZZUHT-UHFFFAOYSA-N 398.484 3.683 0 40 GHAB O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCSc2c(F)cccc21 12648244 QTHYVBOKYHAQAA-QGZVFWFLSA-N 398.459 3.555 0 40 GHAB Cc1nn(C(F)F)c(C)c1CC(=O)NCc1ccc(Br)s1 58228788 HVAOLFQOPQGUCW-UHFFFAOYSA-N 378.242 3.578 0 40 GHAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCCCC(=O)O 20744713 NMQIIQVXNWRAQR-UHFFFAOYSA-N 388.367 3.612 0 40 GHAB COc1cc(OC)c(CNC(=O)c2c(Cl)c3ccccc3n2C)c(OC)c1 58479880 VAOHNNZIALAWLU-UHFFFAOYSA-N 388.851 3.788 0 40 GHAB O=C(NCc1cn2ccsc2n1)c1[nH]c2ccccc2c1Br 84587545 ZQQSNLSUFRVBMN-UHFFFAOYSA-N 375.251 3.570 0 40 GHAB COC(=O)[C@@](O)(c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(F)(F)F 2274925 JWLYLUUXDXGQCY-INIZCTEOSA-N 387.741 3.515 0 40 GHAB COc1ccc(C(C)=O)c(OCC(=O)Nc2ccc(Br)c(C)c2)c1 3388984 VCONMPHKWQLNRB-UHFFFAOYSA-N 392.249 3.986 0 40 GHAB O=c1c(Cl)c(N2CC=C(c3ccc(O)cc3)CC2)cnn1Cc1ccccc1 84544511 WJXWLGYRDSNJHO-UHFFFAOYSA-N 393.874 3.944 0 40 GHAB CN(C)[C@@H](CNc1ncnc2scc(-c3ccccc3)c12)c1cnn(C)c1 95960173 HEIPASXNLOGRDQ-KRWDZBQOSA-N 378.505 3.807 0 40 GHAB COC(=O)c1c(NC(=O)CN2CCCc3ccccc32)c2cc(C)ccc2n1C 2362900 FJGGYKOLSSNSKI-UHFFFAOYSA-N 391.471 3.665 0 40 GHAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1Cl 12850479 RQQIJQVHUHBMMC-HNNXBMFYSA-N 383.883 3.861 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)nc1C 11916006 VDTFVEOAKKSUMA-UHFFFAOYSA-N 387.417 3.544 0 40 GHAB COCCNC(=O)c1ccccc1NCc1cc2ccc(OC)cc2nc1Cl 26222030 CCDSUZMXNQCSLT-UHFFFAOYSA-N 399.878 3.885 0 40 GHAB CCCc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C23CC4CC(CC(C4)C2)C3)cc1 3886929 XMFQXSDKZZIXBT-ILCGBQQYSA-N 391.533 3.587 0 40 GHAB CCc1cnc(NC(=O)CSc2nnnn2-c2ccc(C(C)C)cc2)s1 5032386 FAHQMCXUWRULKA-UHFFFAOYSA-N 388.522 3.535 0 40 GHAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(O)cc1C(=O)O 6170588 WRJTXZPLMAXLSL-FARCUNLSSA-N 392.205 3.513 0 40 GHAB Cc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)o1 14019621 IXUFVPGIQYEGSD-UHFFFAOYSA-N 391.471 3.589 0 40 GHAB COc1cccc(-c2nnn(CC(=O)N(c3ccccc3)C3CCCCC3)n2)c1 14095445 JKUNNXMJLGVNLO-UHFFFAOYSA-N 391.475 3.715 0 40 GHAB Cc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1Cl)S2 9236459 GTDDFSNPUCWCCX-JKSUJKDBSA-N 385.880 3.638 0 40 GHAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc(-n2cnnn2)cc1 14241151 NJEJCEBVPOZXJN-UHFFFAOYSA-N 396.863 3.615 0 40 GHAB COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O 4694717 PTXQXPFWJAYHIZ-WOJGMQOQSA-N 397.452 3.783 0 40 GHAB COc1ccc(N2C(=O)C[C@@]2(C(=O)NC2CCCCC2)c2ccsc2)cc1 6669943 OAEJSSOGKQGHJK-NRFANRHFSA-N 384.501 3.838 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc2ccccc2cc1O 6606445 JAAHXTCRRZKTGI-UHFFFAOYSA-N 398.846 3.918 0 40 GHAB CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc12 4749525 BEHQTOYFVHTJNB-QFIPXVFZSA-N 375.472 3.558 0 40 GHAB C[C@@H](NC(=O)c1cc(Br)ccc1O)c1ccc(-n2ccnc2)cc1 7735789 GRQPKCDBIDJTDL-GFCCVEGCSA-N 386.249 3.831 0 40 GHAB O=C(CNc1cc(Cl)cc(Cl)c1)Nc1ccc(N2CCOCC2)cc1 7956339 ZBNMNVCNKFYFAS-UHFFFAOYSA-N 380.275 3.881 0 40 GHAB O=C(Nc1ccc(-c2csnn2)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 70012784 GRSFYPMGEWLBFC-AWEZNQCLSA-N 398.513 3.758 0 40 GHAB COc1ccc(N(Cc2cccs2)C(=O)c2nc3nc(C)cc(C)n3n2)cc1 8429020 HDSKQJRVCSASPG-UHFFFAOYSA-N 393.472 3.658 0 40 GHAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Nc2cccnc2Cl)cc1 89904831 ORIRPZSVQHGTBY-LPHOPBHVSA-N 375.856 3.648 0 40 GHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1 408625803 FRFSWXMFBKYTCC-RUDMXATFSA-N 387.461 3.970 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2C(=O)COc2ccccc2)n1 72354705 QYCWTNXCPSXCRE-IBGZPJMESA-N 392.434 3.607 0 40 GHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2F)C12CCCC2 32097285 NDFHBBRMAPUZPI-FQEVSTJZSA-N 396.462 3.963 0 40 GHAB COC(=O)c1cc(OCc2cccc(OC)c2)c2cc(OC)c(OC)cc2n1 65033517 IYHGGQSFLGBIKT-UHFFFAOYSA-N 383.400 3.626 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(S(C)(=O)=O)cc1 219536076 MOMLOTYSYUNTOD-QFBILLFUSA-N 389.517 3.742 0 40 GHAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1nn(Cc2ccccc2F)cc1Cl 32610012 FJOPBXAUYGSMRZ-CHWSQXEVSA-N 379.819 3.553 0 40 GHAB CC(C)c1ccccc1OCCNS(=O)(=O)c1ccc(Br)cc1 223768457 BSHNONIIQWXRIA-UHFFFAOYSA-N 398.322 3.930 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(OC(C)C)c3)ccc21 225694383 MQOJGINCCMOBIN-UHFFFAOYSA-N 392.502 3.671 0 40 GHAB CCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 225688731 XSWPYDRTWPMADL-UHFFFAOYSA-N 392.546 3.539 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1 222902762 WDHNICCNIXQXSY-JOCHJYFZSA-N 380.532 3.994 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCc1nc(-c2cccc(Cl)c2)no1 223627516 YUBYAXPXISLEHZ-UHFFFAOYSA-N 398.271 3.663 0 40 GHAB CCCNC(=S)Nc1nc(N2C[C@H](C)C[C@@H](C)C2)cc(C(F)(F)F)n1 225887011 GXCKOMYCCGPJHH-GHMZBOCLSA-N 375.464 3.674 0 40 GHAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1 225689312 LPTWUHFKDVOUKR-QFIPXVFZSA-N 392.540 3.568 0 40 GHAB CCCC[C@H](CC)CNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 223683132 KOJCBUJKWACPCZ-HNNXBMFYSA-N 388.961 3.747 0 40 GHAB COc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1ccc(OC)c(C)c1C 225794479 NQWOVDMJCHJZAH-GOSISDBHSA-N 375.490 3.677 0 40 GHAB COc1ccccc1OCCNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 224333869 JXOMGCYUPBYBPW-GOSISDBHSA-N 382.504 3.736 0 40 GHAB O=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 243057115 IIFXTFODGMHHAW-LBPRGKRZSA-N 381.234 3.802 0 40 GHAB Cc1cc(OC2CN(C(=O)c3cc4cc(F)ccc4s3)C2)cc(=O)n1C1CC1 252539197 NWISNJOQMZZPCH-UHFFFAOYSA-N 398.459 3.749 0 40 GHAB Cc1nc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)sc1C 252022253 ZIDVWOQYNDEBLD-GUUAHRICSA-N 397.500 3.653 0 40 GHAB Cc1c[nH]nc1[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCO1 257235975 HAHWSSLANSEICQ-HXUWFJFHSA-N 377.444 3.657 0 40 GHAB CC1(C)CCc2ccccc2[C@@H](NC(=O)c2cccc(Nc3nn[nH]n3)c2)C1 1138813800 CDWLPDXBDWLZOD-SFHVURJKSA-N 376.464 3.777 0 40 GHAB CC(C)c1nc(S(=O)(=O)N[C@H](c2ccsc2)c2cccs2)cn1C 390826183 DVMXXCPDKICGDI-OAHLLOKOSA-N 381.548 3.734 0 40 GHAB CC(=O)Nc1ccc(OC(=O)c2cc(C)nc3c2nc2n3CCCCC2)cc1 44007700 NFBGRLKUHCSKIU-UHFFFAOYSA-N 378.432 3.644 0 40 GHAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)c2ccc3c(c2)OCCO3)C1 78480278 LJXAQNWOTFJUIR-ROUUACIJSA-N 394.515 3.866 0 40 GHAB O=C(NCc1ccc(Br)s1)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21 663694834 YPNMNELBRMTYJA-BPLDGKMQSA-N 381.270 3.787 0 40 GHAB Cn1c(=O)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc2cccnc21 5303697 IMHFCHTVNJJBNS-UHFFFAOYSA-N 381.741 3.858 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)on1 12118505 KBRJOVQJFCJCFC-QGZVFWFLSA-N 394.450 3.836 0 40 GHAB Cc1ccc(F)cc1NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 12775188 GEESGBVVUNGWFX-UHFFFAOYSA-N 386.448 3.594 0 40 GHAB Cc1c(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)c(=O)n(-c2ccccc2)n1C 12807407 GKMSWDIFVPLBJX-UCZMFPBXSA-N 377.444 3.853 0 40 GHAB COc1ccc(CC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1F 18082158 SYCCHTLAPKBTDG-UHFFFAOYSA-N 378.831 3.506 0 40 GHAB COc1ccc2c(cc(C(=O)N3CCCC[C@@H]3CCN3CCCC3)n2C)c1OC 19289697 HNUWUIJOIREAMV-QGZVFWFLSA-N 399.535 3.676 0 40 GHAB Cc1ccc(Cc2ccc([C@@H]3CN(C(=O)c4scnc4C)CCO3)nc2)cc1 19692326 YBLLMIKPIJZHQX-FQEVSTJZSA-N 393.512 3.959 0 40 GHAB CCn1cc(CN2CCCC[C@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)cn1 19706251 GETDBSQGUIXOKR-NRFANRHFSA-N 394.567 3.891 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc1[N+](=O)[O-] 8165955 FLUMWBLWCFYKHL-SFQUDFHCSA-N 384.413 3.882 0 40 GHAB COc1c(F)c(F)cc(C(=O)N2[C@H]3CC[C@H]2c2cnc(C4CC4)nc2C3)c1F 100205119 NIIAEHLUAIOOJM-BONVTDFDSA-N 389.377 3.682 0 40 GHAB CC(C)(C)NC(=O)N1CCC(CNC(=O)CCc2cccc(Cl)c2)CC1 225619251 LTCBFHCMXGTMDT-UHFFFAOYSA-N 379.932 3.609 0 40 GHAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCCN1C(=O)C1CC1 643582058 JVQOQFQJXHCDGI-IBGZPJMESA-N 386.536 3.975 0 40 GHAB Cc1ccc2c([C@H](O)CN3CCC4(CC3)C[C@H](O)c3ccccc3O4)c[nH]c2c1 19219738 ZYDWBRSMUBUSOY-FCHUYYIVSA-N 392.499 3.860 0 40 GHAB CCN(C(=O)c1cnc(C)nc1C)[C@H]1CCO[C@@H](c2ccc(CN(C)C)cc2)C1 19711814 JLFFJVOZIIBCSJ-RBBKRZOGSA-N 396.535 3.537 0 40 GHAB Cn1ncc(C2CC2)c1C(=O)N=c1[nH]nc(-c2c(Cl)cccc2Cl)s1 585124103 GHNCHWNACNBJRX-UHFFFAOYSA-N 394.287 3.797 0 40 GHAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 4476813 JNFHTFSJTUTSOO-ZJTJJPTCSA-N 380.488 3.548 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccc(C(F)(F)F)c2)c1C 5112260 DPPWPTRZPFZXAV-UHFFFAOYSA-N 397.349 3.867 0 40 GHAB CCOc1ccc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cc1 1888866700 NDDZMOMAEQVMLO-UHFFFAOYSA-N 381.398 3.938 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 794008 NEXUYQNJBDUCLW-SFHVURJKSA-N 398.509 3.502 0 40 GHAB CCSc1nnc(NC(=O)CSc2nccn2-c2ccccc2)s1 2468146 IFFAQCKNHALTSI-UHFFFAOYSA-N 377.520 3.567 0 40 GHAB CC(C)(C)c1ccc([C@@H](CC(=O)O)NS(=O)(=O)Cc2ccccc2)cc1 4698453 UKXMBPYSLYIHHU-GOSISDBHSA-N 375.490 3.620 0 40 GHAB CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC)cc1 8962393 BXDMMHXMTYUJQU-UHFFFAOYSA-N 388.489 3.575 0 40 GHAB O=C(NC[C@@H]1CN(c2ccc(F)cc2)C(=O)O1)c1cc(Cl)ccc1Cl 9070278 MRDNSUKFXXTNFT-CYBMUJFWSA-N 383.206 3.888 0 40 GHAB CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)Nc2cccc(C)c2)CC1 22460677 OVDQDHUTZFOXFF-FXAWDEMLSA-N 386.565 3.945 0 40 GHAB Cn1nc(NC(=O)c2c[nH]c3ccccc23)c2c1NC(=O)C[C@@H]2c1cccs1 36705622 YZSGVKBGSHXQQK-GFCCVEGCSA-N 391.456 3.689 0 40 GHAB CC(C)(C)NC(=O)N1CCC(CNC(=O)C2(c3cccs3)CCCC2)CC1 43978751 HMEXJYBDEPHKLQ-UHFFFAOYSA-N 391.581 3.896 0 40 GHAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1 575615602 FFOHDDVVYIRNOL-HXUWFJFHSA-N 389.499 3.867 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)c4ccco4)cc3C2)cc1 9203618 XCGQAXUXRLRPOK-UHFFFAOYSA-N 396.468 3.587 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(-n2cc[nH]c2=S)cc1 40119568 XUSBRCCLXNWJLI-UHFFFAOYSA-N 389.484 3.993 0 40 GHAB CCc1c(C(=O)Nc2ccc(N3CCCC3)cc2C)cnn1-c1ccccn1 30605692 HYHPLXUCQFHOBN-UHFFFAOYSA-N 375.476 3.991 0 40 GHAB NC(=O)COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)c1 40285111 QFAXBYHQZSAYKJ-AWEZNQCLSA-N 396.834 3.513 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Sc2nnc3sc4ccccc4n23)cc1 20882500 FVYQRSXMLXXHMS-GFCCVEGCSA-N 398.513 3.750 0 40 GHAB Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccc(N(C)C)nc2)c1 21143810 VBYDJMYVJPVZPR-UHFFFAOYSA-N 381.505 3.681 0 40 GHAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OCC(=O)c4ccccc4)cc3)C(=O)[C@@H]21 102083514 BCVYHLCHQZPGKH-MFMILTCTSA-N 375.424 3.650 0 40 GHAB CC(=O)NCc1ccc(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 32736660 GRZJCIAOUGZSFF-ZTGLTUKVSA-N 383.488 3.654 0 40 GHAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)CCCC3)on1)c1ccco1 21805559 UKGYBHSSAZLIJM-IBGZPJMESA-N 379.460 3.846 0 40 GHAB Cc1ccc(=O)n([C@@H](C(=O)N[C@H](C)c2ccccc2)C(=O)c2ccc(F)cc2)c1 819552 OIFOIKKGNJJSNA-IIBYNOLFSA-N 392.430 3.597 0 40 GHAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 47504615 SAQNEQQWCAFOOJ-UHFFFAOYSA-N 377.832 3.709 0 40 GHAB CCOc1cccc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)c1 882722 XBBOTWBODVEBFL-UHFFFAOYSA-N 393.472 3.646 0 40 GHAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(C[C@H]2CCCO2)C4)cc1 54313341 VLUPFUALBGMCBR-QGZVFWFLSA-N 393.439 3.800 0 40 GHAB biogenic O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)Nc1ccccc1 1381607 XAZQNENKDADFNA-UHFFFAOYSA-N 388.449 3.660 0 40 GHAB Cc1cc(C)n2cc(CNc3ccc(I)cc3)nc2n1 1448705 DTKSRUYEUOQQAD-UHFFFAOYSA-N 378.217 3.563 0 40 GHAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1=O)S[C@H](C)C2 4107982 HJILKHZHMNOVOE-SNVBAGLBSA-N 380.922 3.928 0 40 GHAB O=C(COc1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)c1ccc(F)cc1 4145803 KDUWCKWPQZLEGZ-YQMDMEMYSA-N 393.414 3.623 0 40 GHAB O=C(c1cccnc1N1CCCC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 24292944 LIHUPAFOJZLVDC-MRXNPFEDSA-N 375.476 3.578 0 40 GHAB Cc1nc(CSCCC(=O)NCc2ccccc2Cn2ccnc2)cs1 24437611 JDXLZOLEIUKJMR-UHFFFAOYSA-N 386.546 3.636 0 40 GHAB CCCCN(C(=O)CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 4881194 ZBQSMZVRZLEZCE-UHFFFAOYSA-N 379.482 3.774 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)Nc1ccc(F)cc1F 6480416 OEPSZMHJNIWLRE-VIZOYTHASA-N 392.358 3.779 0 40 GHAB O=c1[nH]c(Nc2ccc(Br)cc2)nnc1Cc1ccc(Cl)cc1 6722001 MSOJDESGKGBJEO-UHFFFAOYSA-N 391.656 3.915 0 40 GHAB Cc1ccc(C)c(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c1 6876381 AKOIKUBQVJLFKE-UHFFFAOYSA-N 380.400 3.842 0 40 GHAB CCCNC(=O)CN1C(=O)S/C(=C\c2cc(C(C)C)c(OC)cc2C)C1=O 6879585 NGHZRVVOXWJLRT-YVLHZVERSA-N 390.505 3.690 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1NS(C)(=O)=O 24891714 DESZRUDWWROEBG-UHFFFAOYSA-N 387.486 3.742 0 40 GHAB COc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 7928805 RPSCFAQBJRHVEB-LLVKDONJSA-N 380.227 3.961 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(C2CC2)nn1-c1ccccc1 7990887 ZXLAYYPYEPIYHH-UHFFFAOYSA-N 388.471 3.735 0 40 GHAB COc1cc(CNC[C@H](c2ccccc2Cl)N(C)C)cc2c1OCCO2 25358571 GUQKKBXMRIPHQF-QGZVFWFLSA-N 376.884 3.512 0 40 GHAB COCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2cc(Cl)ccc2C)n1 8476776 JJRDRWGHUDPXIR-UHFFFAOYSA-N 384.867 3.581 0 40 GHAB CC[C@@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccc(OC)cc1 25513842 ZFNHMWYHXAMNIP-MRXNPFEDSA-N 381.881 3.633 0 40 GHAB COc1ccc(OCCNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 43975338 DWSGTTPCYUNTKE-UHFFFAOYSA-N 395.415 3.741 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 57291874 RQXMZFKMCMLDBS-MAUKXSAKSA-N 383.458 3.522 0 40 GHAB Cc1cc(C(=O)CN2CCN(C(=O)c3ccccc3Cl)CC2)c(C)n1C1CC1 35362392 WPFASPMCQLRCEU-UHFFFAOYSA-N 399.922 3.734 0 40 GHAB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1c(Cl)cccc1Cl 57363999 NPUQEBGCTXFGOA-UHFFFAOYSA-N 382.266 3.893 0 40 GHAB CC(C)c1nc2cc(NC(=O)Cn3cc(C(F)(F)F)ccc3=O)ccc2o1 48234929 OWCHMPUBRSNNFZ-UHFFFAOYSA-N 379.338 3.770 0 40 GHAB OCCSc1nnc(-c2ccc(Br)cc2)n1Cc1ccccc1 28444391 WFKLTQZCHVYBPC-UHFFFAOYSA-N 390.306 3.840 0 40 GHAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c(=O)oc2c1 108984377 YLRBYWKHHMIZQV-ULMVMLMRSA-N 383.488 3.984 0 40 GHAB C[C@@H](SCc1ccc(Br)cc1)C(=O)Nc1ccccc1C(N)=O 12787125 LYVCHCVIKSNWBI-LLVKDONJSA-N 393.306 3.808 0 40 GHAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 57985569 JFZYVMCVFFLBQC-DOMZBBRYSA-N 391.265 3.524 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(CC(C)C)C(C)C)ccc1Cl 58195523 DFNHZMZAEFCROI-UHFFFAOYSA-N 388.961 3.877 0 40 GHAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1nccs1 57487341 RDWIBBUTOODJFQ-UHFFFAOYSA-N 385.836 3.954 0 40 GHAB CC(=O)Nc1nc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cs1 58214805 OHNXGDBCIVDDBG-CQSZACIVSA-N 394.294 3.841 0 40 GHAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccccc2F)CC1 58323044 MXJPGHTWUKFBGW-OAHLLOKOSA-N 388.462 3.989 0 40 GHAB CSc1nc2ccsc2c(=O)n1CC(=O)Nc1cccc(Cl)c1C 57505063 PDNPFPKVFCYAGU-UHFFFAOYSA-N 379.894 3.780 0 40 GHAB CCCc1nc2sc3c(N4CCOCC4)ncnc3c2c2c1COC(C)(C)C2 2266327 GCCPBHRNTROZNG-UHFFFAOYSA-N 398.532 3.880 0 40 GHAB COc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc3c2=O)cc1Cl 36364816 ZMFHQZALGRHNHG-UHFFFAOYSA-N 397.862 3.674 0 40 GHAB CCOC(=O)c1ccc(-c2nnc(NC(=O)/C=C/c3ccc(OC)cc3)o2)cc1 20496097 XJKNIOAGOIITFK-AWNIVKPZSA-N 393.399 3.574 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CCn1cnc2sccc2c1=O 12821821 ZYJPOOSGQSUAPQ-UHFFFAOYSA-N 392.278 3.558 0 40 GHAB C[C@H]1CN(Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)C[C@@H](C)O1 12811675 UIXQPCFYVKJGTP-PHIMTYICSA-N 383.876 3.797 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC1(c2ccccc2)CC1 11750162 VGQFYMMOLAFGHS-IBGZPJMESA-N 384.907 3.942 0 40 GHAB O=C(O)[C@H]1Cc2ccccc2[C@H](C(=O)OCC2c3ccccc3-c3ccccc32)N1 55161886 PAAWUAPRJOJQQN-DHIUTWEWSA-N 399.446 3.682 0 40 GHAB CCc1sc(C(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1C 60035043 MLPXCYQYSXSZST-ZDUSSCGKSA-N 387.423 3.807 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)N2C(=O)CCSC2=N1 2502026 VBYPSQUUOPRENC-INIZCTEOSA-N 378.881 3.942 0 40 GHAB Cc1ccc(CC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)cc1C 3427864 PQJPKDASBKSQSC-UHFFFAOYSA-N 378.453 3.812 0 40 GHAB COc1ccc(CCN(C)C(=O)c2ccc(Br)cc2)cc1OC 3413175 NKUYKOHAZIBTLC-UHFFFAOYSA-N 378.266 3.781 0 40 GHAB CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 23623946 VCZHGSMKGSXOFH-UHFFFAOYSA-N 378.881 3.595 0 40 GHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2C[C@@H]1C 20449035 PTNMSAQPHAKTKJ-LBPRGKRZSA-N 378.881 3.693 0 40 GHAB COc1cccc(C2=N/C(=C/c3cc(C)n(-c4cc(C)on4)c3C)C(=O)O2)c1 26433664 VTHUGGFMKSLLSX-WOJGMQOQSA-N 377.400 3.744 0 40 GHAB C[C@]1(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)CCS(=O)(=O)C1 12931734 WXBSJWLSTZYTMF-KOEDOTQGSA-N 395.933 3.775 0 40 GHAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc2c(c1)NC(=O)CO2 12903695 QABYZRCHXGTVFR-UHFFFAOYSA-N 392.411 3.660 0 40 GHAB CCCOc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1 12972458 GDBPGIYDZILVSG-GJZGRUSLSA-N 389.521 3.793 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 13002736 QMHOMWXHDMTQKY-CYBMUJFWSA-N 377.400 3.551 0 40 GHAB O=C(NCCCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1ccco1 13008866 VAGRKGYRUGIZKQ-OAQYLSRUSA-N 388.467 3.964 0 40 GHAB Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)cc1 64591297 NNTHXAYUKPHUKF-UHFFFAOYSA-N 392.846 3.764 0 40 GHAB CCCCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 13736337 NJFAGPCQYFHWTO-KBPBESRZSA-N 393.361 3.868 0 40 GHAB COCCn1c(SCC(=O)N(C)c2ccccc2)nnc1-c1cccc(C)c1 5243556 JMDYJQYOPDPPSN-UHFFFAOYSA-N 396.516 3.655 0 40 GHAB COc1ccc(CN(C)C(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1F 14085116 OZQKMXSVMRPXPB-UHFFFAOYSA-N 392.858 3.656 0 40 GHAB Cc1c(Cl)cccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)c2ccccc2)CC1=O 408640930 BQKVBWQKXUIBJG-GOEBONIOSA-N 385.847 3.816 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 14197999 SHGLCNRUEFQPKP-CQSZACIVSA-N 399.878 3.614 0 40 GHAB Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1F 5478475 LMXRPBZKTSUVFS-UHFFFAOYSA-N 393.447 3.994 0 40 GHAB COc1c(Br)cc(Br)cc1C(=O)NCc1ccco1 4616390 VBUPCXWZTDYTQH-UHFFFAOYSA-N 389.043 3.743 0 40 GHAB Cc1ccn([C@H](C(=O)c2ccc(F)cc2)C(=O)N(C)C2CCCCC2)c(=O)c1 4682133 BXAJRHJZIPMYAO-HXUWFJFHSA-N 384.451 3.511 0 40 GHAB COc1ccc(-c2csc(NC(=O)/C=C/c3cnc(SC)nc3)n2)cc1 408532800 PCOVPFGDVASORO-FPYGCLRLSA-N 384.486 3.983 0 40 GHAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1OC 4734713 HNSXVTUERIRPQE-SFHVURJKSA-N 379.416 3.515 0 40 GHAB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(C)cc2)c1 20969258 WHQBHUVAJZGWMD-UHFFFAOYSA-N 395.503 3.566 0 40 GHAB CCc1ccc(-c2csc(NC(=O)c3nn(C)c(=O)c4ccccc34)n2)cc1 6790569 IXHZHVBYYPPQMU-UHFFFAOYSA-N 390.468 3.872 0 40 GHAB O=C(CSc1nnc(NCc2ccccc2)s1)N1CCc2ccccc21 6788746 YUBDGCHTPRTXPC-UHFFFAOYSA-N 382.514 3.832 0 40 GHAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(Cl)ncnc4c23)CO1 19707889 HRYOGTGJMMEBAL-UHFFFAOYSA-N 390.896 3.581 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2cc(Br)ccc2O)c(Cl)c1 4808112 CLAFNWMTPNPJNL-UHFFFAOYSA-N 398.640 3.912 0 40 GHAB Cc1nnc(SCC(=O)Nc2nnc(-c3ccccc3)o2)n1C1CCCCC1 5865602 XGUYWHOLJVCLEI-UHFFFAOYSA-N 398.492 3.873 0 40 GHAB Cc1oc2cc(OCC(=O)N3CCCC3)ccc2c(=O)c1Oc1ccccc1 7025499 PJZPPJQKSYTTMK-UHFFFAOYSA-N 379.412 3.895 0 40 GHAB CCc1ccccc1N1C[C@H](C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)CC1=O 7737066 YVIBGPNTAACVID-CZUORRHYSA-N 382.426 3.791 0 40 GHAB Cc1cc(NC(=O)COC(=O)Cc2ccccc2C)ccc1Br 7863373 SZSHOVCMJZTHOV-UHFFFAOYSA-N 376.250 3.790 0 40 GHAB Cc1ccn2c(=O)cc(CN(C)Cc3ccccc3N3CCCCC3)nc2c1 16385114 DLCWFUFMMXPJIZ-UHFFFAOYSA-N 376.504 3.625 0 40 GHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)/C=C/c1nc2ccccc2o1 8073884 JUDFKRJTPCCGFL-VAWYXSNFSA-N 397.862 3.659 0 40 GHAB CCOc1ccc(OCCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 16780986 SMFDWWMZCJMNES-UHFFFAOYSA-N 379.460 3.699 0 40 GHAB Cc1nc(COc2ccccc2C(=O)NCc2cn3ccccc3n2)cs1 8279312 NGFFPDMPNFJUQV-UHFFFAOYSA-N 378.457 3.608 0 40 GHAB CC(C)N(C(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1 8241610 LXRWQYWVUMISGU-UHFFFAOYSA-N 381.501 3.778 0 40 GHAB Cc1sc2nc(CSCC(=O)Nc3cc(F)ccc3F)[nH]c(=O)c2c1C 22005076 IIQRDUCRJXLROJ-UHFFFAOYSA-N 395.456 3.752 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1sc2ccccc2c1Cl 19902038 OMDZKEFOKSORCO-AWEZNQCLSA-N 390.892 3.951 0 40 GHAB Brc1cc2c(cc1CSc1nnc(-c3ccc[nH]3)o1)OCCO2 18367096 OJDMZWOWADLMAO-UHFFFAOYSA-N 394.250 3.891 0 40 GHAB FC(F)(F)c1nnc2sc(COc3ccc(Br)cc3)nn12 8706351 XKZIVSGFRSVEGC-UHFFFAOYSA-N 379.161 3.546 0 40 GHAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)/C=C/c1ccc2c(c1)OCO2 8705148 NRCUBVABEVSROR-ZRDIBKRKSA-N 388.423 3.679 0 40 GHAB CC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2cccc3nsnc23)c1 19079365 BGSDCGBHBKDOAW-UHFFFAOYSA-N 383.477 3.727 0 40 GHAB C[C@H](Cn1cncn1)Nc1nc(CN(C)C)nc2scc(-c3ccccc3)c12 95957751 OVAUTYWAYGAMML-CQSZACIVSA-N 393.520 3.512 0 40 GHAB Cc1c(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)sc2ccccc12 29477068 MVKQLKOLNIXSOW-ZDUSSCGKSA-N 388.514 3.690 0 40 GHAB O=C1C[C@@H](Nc2cccc(Cl)c2)C(=O)N1c1ccccc1Br 36635823 PVDPLBQQFHXKNZ-CYBMUJFWSA-N 379.641 3.847 0 40 GHAB COc1cccc(C2CCN(C(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)c1 548379053 WQQQMRGUEAMOQB-UHFFFAOYSA-N 378.472 3.945 0 40 GHAB COCc1cc(N2CCC[C@@H]2Cn2cnc3ccccc32)nc(C(C)(C)C)n1 535158928 KAEPDCWZVXFYIW-QGZVFWFLSA-N 379.508 3.939 0 40 GHAB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 210931718 VZGSUUYGLOVQME-UEMWTREESA-N 399.424 3.788 0 40 GHAB CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 35292218 JZOPFJNOXWVIKU-UHFFFAOYSA-N 381.476 3.820 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccco3)s2)cc1C 35312390 RLXWRGITSZBAIG-UHFFFAOYSA-N 388.474 3.731 0 40 GHAB CC(C)n1nc(O)c2c(-c3ccc(O)c(Cl)c3)c3sc(=O)[nH]c3nc21 72402874 GRAHETZTRSAHGO-UHFFFAOYSA-N 376.825 3.647 0 40 GHAB CCCc1cc(-c2nc(C)c(C(=O)Nc3nnc(COC)s3)s2)ccn1 71284183 BACDVYLYZXXYQW-UHFFFAOYSA-N 389.506 3.716 0 40 GHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223874563 DVDXDJNVWUGLIM-UGSOOPFHSA-N 395.908 3.778 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(Cl)cc1 225411853 PDQKFOJYMCFBRL-ZDUSSCGKSA-N 394.899 3.735 0 40 GHAB Cc1cccc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c1 224140380 SATXTGZTXKRWRN-FQEVSTJZSA-N 396.531 3.872 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1NC(C)=O 222825442 ZKXQIJZCLDMPSK-UHFFFAOYSA-N 388.873 3.960 0 40 GHAB Cc1cc(C(=O)N(C)Cc2ccco2)ccc1N(C)S(=O)(=O)c1ccccc1 224497195 CXUXHUDCYDAZPT-UHFFFAOYSA-N 398.484 3.685 0 40 GHAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 223473624 MCCAGNLNTIRTDS-JOCHJYFZSA-N 391.446 3.627 0 40 GHAB COc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)CC(C)(C)O2 225608637 ATTCEGBLTDCTRH-QGZVFWFLSA-N 379.453 3.723 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1cc(C)cc(C)c1 225060827 BUFZMKANDOOMON-FQEVSTJZSA-N 396.531 3.668 0 40 GHAB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccco1)Nc1ccccc1 225520283 UNAVLGONGBGBFF-UXHICEINSA-N 392.484 3.676 0 40 GHAB CN(C)c1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 40868713 DKBRIVIYRBKHNG-UHFFFAOYSA-N 385.423 3.806 0 40 GHAB CN1CCN(c2ccccc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 45865203 XCGYUSZKAPLJAJ-UHFFFAOYSA-N 381.520 3.753 0 40 GHAB Cc1ccc(-c2nnc(NC(=O)CCc3ccc4c(c3)OCCO4)s2)cc1 224238377 ANILKTFDKPHZJC-UHFFFAOYSA-N 381.457 3.856 0 40 GHAB CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224157803 NWDAFZVVEHBDKF-AWEZNQCLSA-N 378.469 3.569 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1N(C)S(C)(=O)=O 222455124 YOJMJFYBCGMENO-UHFFFAOYSA-N 386.395 3.662 0 40 GHAB F[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1OCc1nc2ncccc2[nH]1 96112149 CJDQRCWHROUQQQ-ZBFHGGJFSA-N 394.372 3.716 0 40 GHAB biogenic,in-vitro O=C(CC1CCC2(CC1)CCN(Cc1cccs1)CC2)N1CCOCC1 96049287 DJSPFZUZIHUZMX-UHFFFAOYSA-N 376.566 3.769 0 40 GHAB O=C(Oc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1cccs1 247441006 XHGZYNLGRJNQFF-VYVINXJXSA-N 391.448 3.525 0 40 GHAB Cc1ncc(CN2CCO[C@H](c3ccc(Nc4ncccc4C)cn3)C2)s1 257309995 UDGSIWUTDPSJHD-IBGZPJMESA-N 381.505 3.867 0 40 GHAB COc1cc(CN2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccccc3)C2)ccc1O 257253517 JZGFVWCHMSJAAU-XZOQPEGZSA-N 385.504 3.831 0 40 GHAB C[C@H](OC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1nnc(-c2ccccc2)o1 26426578 XFEFTNDOURHLGW-XHDPSFHLSA-N 381.363 3.606 0 40 GHAB Cn1cc(CCNC(=O)Cc2csc(-c3ccccn3)n2)c2ccccc21 604419281 HNPRZKTXGLMYIT-UHFFFAOYSA-N 376.485 3.598 0 40 GHAB CC(C)C(=O)Nc1nc(CC(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)cs1 622213005 OJCXMJSOHBFHDJ-UHFFFAOYSA-N 395.847 3.588 0 40 GHAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NC[C@@H]2C(C)(C)C2(F)F)C1 660546436 UANONHNVNFUJOC-IUODEOHRSA-N 387.858 3.518 0 40 GHAB O=C(Nc1cnc(CC2CC2)nc1)N1CCC2(C=Cc3ccccc3O2)CC1 667051917 SWCWCLUTJGHQKV-UHFFFAOYSA-N 376.460 3.901 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 65394167 DKEIXSGSCLHQMP-UHFFFAOYSA-N 392.459 3.509 0 40 GHAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099875 UQWQPUXDOMMKPN-OAHLLOKOSA-N 399.541 3.988 0 40 GHAB COc1cccc(C2(NC(=O)N[C@@H]3CCO[C@@H](c4cccnc4)C3)CCC2)c1 665034834 MXXGMJZBGIJTRG-UYAOXDASSA-N 381.476 3.689 0 40 GHAB Cc1ccc(Nc2nc([C@@H]3CCCN3C(=O)/C=C/c3cnc[nH]3)cs2)nc1 585291816 SVMQKPQOLBMPOO-YERXGYGTSA-N 380.477 3.690 0 40 GHAB O=C(NCc1nc(-c2ccncc2)n[nH]1)[C@@H](c1ccccc1)C1CCCCC1 12114803 XBOYERPEPXRCGC-FQEVSTJZSA-N 375.476 3.847 0 40 GHAB COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2cc(C3CC3)on2)cc1 12145694 KJYOHZKSFTVIGP-QGZVFWFLSA-N 378.432 3.554 0 40 GHAB C[C@@H]1CCCN(C(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)C1 13649446 SGWYTPZHJBAHIS-QGZVFWFLSA-N 386.517 3.525 0 40 GHAB CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)Sc2c1nc(C)n2C(C)=O 16777114 VYLRFBUXXSJHDR-UHFFFAOYSA-N 383.260 3.979 0 40 GHAB Cc1cc(C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)on1 19119726 UXAJHCLSQXDONC-UHFFFAOYSA-N 376.363 3.785 0 40 GHAB Cc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccs3)CC2)cc1 19210306 KDZCKDHUQKHQCB-OAQYLSRUSA-N 397.519 3.995 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN2C(=O)c2ccc(N(C)C)cc2)n1 19286876 KUGNRWHAVRUXPA-NRFANRHFSA-N 387.487 3.890 0 40 GHAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4cc[nH]n4)CC3)noc2n1 19522080 OHYVNVWETPJXMH-UHFFFAOYSA-N 393.369 3.547 0 40 GHAB Cc1occc1-c1cc2nc([C@H]3CCCN(Cc4ccncc4)C3)cc(N)n2n1 19583122 FPLOOQTZMQCXBH-KRWDZBQOSA-N 388.475 3.655 0 40 GHAB CC(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 600296 KLUTZDJBVDPOFE-PMACEKPBSA-N 388.416 3.526 0 40 GHAB biogenic CCCn1c(S[C@@H](C(N)=O)c2ccccc2)nc2sc(CC)cc2c1=O 12487306 SJXDQBFLHKQHTE-OAHLLOKOSA-N 387.530 3.749 0 40 GHAB COc1ccc2sc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2c1 1889139127 AJJXODBRJMJJGI-UHFFFAOYSA-N 395.475 3.779 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 25212316 LLOBNKFGDYIRCB-CYBMUJFWSA-N 387.867 3.915 0 40 GHAB CCCOc1ccc(CCC(=O)N[C@H](Cn2nccn2)c2ccccc2)cc1 245015190 LPWQOFOZIHJPHA-OAQYLSRUSA-N 378.476 3.557 0 40 GHAB CN1C(=O)COc2ccccc2CCCC[C@H]2CN(Cc3ccccn3)CC[C@H]21 2037989188 YRSAFGFMTPDBCD-RBBKRZOGSA-N 393.531 3.536 0 40 GHAB CN1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 1565542973 QCFSCTYYBWPOMO-QFIPXVFZSA-N 392.528 3.689 0 40 GHAB CCOc1ccc(N2C[C@H](NC(=O)Nc3ccccc3SC)CC2=O)cc1 4373683 CSUJPBPANAGTQA-CQSZACIVSA-N 385.489 3.734 0 40 GHAB Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1 5144794 QMOSFJRMOZJANK-UHFFFAOYSA-N 394.500 3.853 0 40 GHAB COC(=O)c1ccc(CSc2nnc(NC(=O)NC(C)(C)C)s2)cc1 5253520 LSDFPISGWRUBJJ-UHFFFAOYSA-N 380.495 3.537 0 40 GHAB O=C(Nc1cccc(Br)c1)c1ccc(=O)n(Cc2ccccc2)c1 7573721 AWQSCRBJRHZEDJ-UHFFFAOYSA-N 383.245 3.911 0 40 GHAB COc1cccc2sc(N(Cc3ccco3)C(=O)c3cc(C)n(C)n3)nc12 9122251 XFHBCAGFNWFMKY-UHFFFAOYSA-N 382.445 3.787 0 40 GHAB O=C1C[C@@H](N2CCC(CCc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 15080849 NWLPXYSDKJPUBQ-OAQYLSRUSA-N 398.453 3.942 0 40 GHAB Cc1ccc(C)c(CN2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c1 35430980 RNCSLQGFHHAZPX-UHFFFAOYSA-N 375.516 3.831 0 40 GHAB Cc1cc(C)n(-c2cc(SCC(=O)Nc3cc(Cl)ccc3C)ncn2)n1 49404200 NNNYZCNKFWRTTD-UHFFFAOYSA-N 387.896 3.972 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCOc2ccccc2Cl)c2c(C)cc(C)cc21 9319497 QOQIDCPGBLRUID-OAQYLSRUSA-N 387.863 3.549 0 40 GHAB O=C(C[C@@H]1C=CCC1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40107830 QEQQUIBMNXNKEG-RHSMWYFYSA-N 380.410 3.841 0 40 GHAB CCCCCCn1c(=O)c(C(=O)Nc2nnc(C)s2)c(O)c2ccccc21 100512730 BQYPKCVSAWKEJF-UHFFFAOYSA-N 386.477 3.700 0 40 GHAB C[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(COc2ccccc2)cc1 32295244 DVBNBVMLIJYSHP-SFHVURJKSA-N 388.467 3.700 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NCc1cccc(Cl)c1 32665145 SOMOIPBKYQKUMC-GOSISDBHSA-N 386.879 3.565 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)N2CCCSc3ccccc32)CC1=O 32675987 OQUCSBZMTJMKQQ-HNNXBMFYSA-N 382.485 3.577 0 40 GHAB O=C1c2ccccc2C(=O)N1CCCCN1CCO[C@H](c2ccc(Cl)cc2)C1 52248192 RKMOWRKHWWASMG-FQEVSTJZSA-N 398.890 3.790 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)N[C@@H](C)CCCC(C)C)c12 32903470 LFGOBOYOJXARAY-ZDUSSCGKSA-N 387.480 3.896 0 40 GHAB Cc1noc(-c2ccc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)cc2)n1 22834836 OCDXHDHYERMLDC-UHFFFAOYSA-N 398.850 3.787 0 40 GHAB COc1ccc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 806764 NUJORZBMKGFMNK-GFCCVEGCSA-N 378.350 3.706 0 40 GHAB O=C1CCc2cc(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)ccc2N1 23017255 BRMREDVQGCGULD-UHFFFAOYSA-N 375.384 3.669 0 40 GHAB COc1ccc(Cc2nnc(SCCC(=O)Nc3ccccc3F)o2)cc1 23104641 YSZMFQGMBBOPKH-UHFFFAOYSA-N 387.436 3.929 0 40 GHAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)NC1CCCCC1)c1cccc(F)c1 1377986 VDIXYYGXCWHKPI-WOJBJXKFSA-N 387.499 3.983 0 40 GHAB Cc1cc(OC(=O)CCNC(=O)OC(C)(C)C)c2c(C)c(C)c(=O)oc2c1 2151668 WGCODUQYQAKBRG-UHFFFAOYSA-N 375.421 3.538 0 40 GHAB biogenic CC(=O)C[C@@]1(O)C(=O)N(CCCOc2cccc3ccccc23)c2ccccc21 4987865 BAFFSQZLUMMGGV-DEOSSOPVSA-N 389.451 3.822 0 40 GHAB COc1cc(C(=O)Nc2cccc(C)c2)cc(I)c1OC 6504340 OYSKYGFERGUXIC-UHFFFAOYSA-N 397.212 3.869 0 40 GHAB Cc1cccnc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl 6969398 YGMLIBUGBBICBL-UHFFFAOYSA-N 398.802 3.911 0 40 GHAB CC(C)CCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 6325714 VENFNDDHDBXCBZ-UHFFFAOYSA-N 394.924 3.698 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)c(O)c1 7396765 ZVSHYPOONDREAJ-UHFFFAOYSA-N 393.395 3.989 0 40 GHAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)n1 12526819 TZYSKAHIAKQVGO-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3F)ccc21 12562425 NDCZTYMYFISAHB-NSHDSACASA-N 375.831 3.827 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)c(C)c1 8414435 ZOZVGTCEEZYFTK-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)c1 8433697 HRKCNUIOSWHWBX-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1C 8497820 RAQAQQLLCVUNFI-IEBWSBKVSA-N 396.487 3.618 0 40 GHAB CC(C)CNC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 3246618 UXUADUHBNFXNAE-UHFFFAOYSA-N 395.381 3.773 0 40 GHAB COC(=O)/C(=C/Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(C(C)C)cc1 100025892 OWKIJTWIDUECMQ-UYRXBGFRSA-N 389.473 3.719 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)Nc1ccc(F)cc1F)N1CCCC1 12795975 SZBBOQWFSYLFKZ-GOSISDBHSA-N 375.419 3.932 0 40 GHAB CCCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 2107694 VCMISQJOXUCMEQ-KRWDZBQOSA-N 399.443 3.848 0 40 GHAB biogenic CSc1nnc(CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)s1 58378594 YJRBVTCOHABEDN-SFHVURJKSA-N 390.534 3.525 0 40 GHAB CC(=O)Nc1ccc(SCC(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 3378075 SREIOTCRCKINLH-UHFFFAOYSA-N 382.441 3.645 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)c(C)c1 101057382 FVAZHGFOSSHRCS-VSKRKVRLSA-N 399.450 3.750 0 40 GHAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc(SC(F)F)cc1 11531234 MRHOLQSWAZRYNO-UHFFFAOYSA-N 380.416 3.629 0 40 GHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1nc2ccccc2n1C 36811670 XDCZYJMEACLFNJ-UHFFFAOYSA-N 391.443 3.925 0 40 GHAB COc1cc(OC)c(CNCCc2c(C)[nH]c3ccc(OC)cc23)c(OC)c1 2513594 ICIRMDMRBBVRQN-UHFFFAOYSA-N 384.476 3.843 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cc(C)nc2ccccc12 2642395 WMLZXBNBVINANY-UHFFFAOYSA-N 392.411 3.515 0 40 GHAB CC(C)Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1 20171526 BKADKRXDZARXLD-UHFFFAOYSA-N 385.468 3.866 0 40 GHAB COc1cc(CC(=O)Nc2ccc(Br)cc2)cc(OC)c1OC 2627407 SSFCKOOEAZEHJZ-UHFFFAOYSA-N 380.238 3.656 0 40 GHAB COc1ccc2nc(SCC(=O)NCCc3ccc(Cl)cc3)[nH]c2c1 3493506 NHXKSMNPAOFBDS-UHFFFAOYSA-N 375.881 3.676 0 40 GHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccco1 12942634 RQVVSNRJCAOIOD-HNNXBMFYSA-N 384.457 3.596 0 40 GHAB CN(C)C(=O)c1ccc(NC(=O)CN2CCC[C@@H]2c2ccc(Cl)cc2)cc1 12983460 QCVJNYDTXYZHPW-LJQANCHMSA-N 385.895 3.817 0 40 GHAB O=C(Nc1nc2ccccc2s1)C1CCN(C(=O)OCC(F)(F)F)CC1 12914635 ACIOJVRDPHXEJF-UHFFFAOYSA-N 387.383 3.646 0 40 GHAB CCOc1cc(/C=C/C(=O)Nc2ccc(SCC(=O)O)cc2)ccc1OC 408613349 WMXNTLMQRCSCIU-VZUCSPMQSA-N 387.457 3.923 0 40 GHAB COc1ccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cccc(F)c4)c32)cc1O 49548936 MLSOWHZBEYOQLO-CQSZACIVSA-N 396.374 3.503 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 13685359 RMSGFRNHLVHXKA-SFHVURJKSA-N 395.890 3.990 0 40 GHAB Cc1cc(C)cc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 65185580 RSFOPPGVSNYGGV-UHFFFAOYSA-N 376.372 3.723 0 40 GHAB Cc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(Cl)cc2)cc1 9237435 UXNWJHZCJDDCES-IRXDYDNUSA-N 399.907 3.946 0 40 GHAB O=C1C[C@@H](C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)C2(CCCCC2)O1 5274447 YIALZRDANFSALT-IBGZPJMESA-N 398.503 3.907 0 40 GHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(Oc2ccccc2)cc1 5341665 VKWBXZLQBCONAU-UHFFFAOYSA-N 393.443 3.672 0 40 GHAB COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1OC 5487701 DIFTZVADYAPALN-AWEZNQCLSA-N 397.431 3.777 0 40 GHAB C[C@H](CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)c1ccc(C(F)(F)F)cc1 66313037 DLPFJTZKSMVLQV-ACJLOTCBSA-N 390.405 3.638 0 40 GHAB COc1cccc([C@H]2N=C(Nc3ccc(C)cc3C)Nc3nc(C)cc(=O)n32)c1 4747339 HJPQNKRXWKKENN-FQEVSTJZSA-N 389.459 3.618 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)nc2n1 14862052 QAWZPOQIWOOZAW-UHFFFAOYSA-N 383.415 3.537 0 40 GHAB COc1cccc(/C=C/c2nc(S(=O)(=O)c3ccccc3)c(N(C)C)o2)c1 6719597 PWNSAJGJBWORMS-OUKQBFOZSA-N 384.457 3.752 0 40 GHAB C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1ccccc1C(F)(F)F 6850906 IAEPVLNABPSMTA-VIFPVBQESA-N 376.176 3.939 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(Br)cc1 7405276 QQWHTZKAQVNIKG-UHFFFAOYSA-N 375.266 3.777 0 40 GHAB CS(=O)(=O)N1CCCc2cc(-c3csc(NCc4ccco4)n3)ccc21 7987439 UKAIOSIOSBQACL-UHFFFAOYSA-N 389.502 3.727 0 40 GHAB Cc1cc(Br)ccc1SCC(=O)NCc1cn2ccccc2n1 7945731 XJPVUKRKMTYKRF-UHFFFAOYSA-N 390.306 3.814 0 40 GHAB COCc1c(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)oc2ccccc12 7989773 LNTRPGMWKMQKKJ-UHFFFAOYSA-N 384.457 3.871 0 40 GHAB O=C(CCC(=O)c1ccc(F)cc1)NCC(=O)Nc1cc(Cl)ccc1Cl 8314931 TYQHGBKAXAMMKX-UHFFFAOYSA-N 397.233 3.850 0 40 GHAB COc1ccc(C(=O)COC(=O)Cc2ccc(C)cc2)cc1Br 17949536 WFQAHMOAARXLBK-UHFFFAOYSA-N 377.234 3.735 0 40 GHAB COc1ccc([C@H](CNC(=O)c2ccc3ccccc3n2)N2CCCC2)cc1 17911483 MZFAXDWCIGBKDM-QFIPXVFZSA-N 375.472 3.810 0 40 GHAB Cc1ccccc1C(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)c1 18081587 ICENQYHYSLHPCM-BEVDRBHNSA-N 375.424 3.916 0 40 GHAB C[C@@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1ccc(F)cc1 8734137 JOWMANDWLLFXKL-CYBMUJFWSA-N 389.500 3.862 0 40 GHAB CC(=O)N1CCC(C(=O)N[C@@H](C)c2sc(C)nc2C)(c2ccccc2)CC1 84062183 RWOCXYAIRQWNIU-HNNXBMFYSA-N 385.533 3.517 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9885482 IDUIXLUGPAJMTD-UHFFFAOYSA-N 397.427 3.957 0 40 GHAB Cc1cc(OC(F)F)c(C(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)s1 95991333 OEYYKVXVHXOTTK-JKIHBJTHSA-N 375.437 3.710 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c(C)c1 61239808 OHKFFBIDSQWLSE-UHFFFAOYSA-N 389.455 3.646 0 40 GHAB O=C(O)COc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@@H]2[C@H]3CC[C@H](C3)[C@H]12 32594714 ABUCYUCRHBTIDC-BZYYHXKRSA-N 389.498 3.552 0 40 GHAB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S 35040488 LXMOSPYKLCSGII-XNTDXEJSSA-N 388.901 3.815 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 408559519 XOYVATIURQXHSA-HNNXBMFYSA-N 390.505 3.723 0 40 GHAB CCOc1ccccc1NC(=O)CC[C@@H]1N=C(O)N([C@H](C)c2ccccc2)C1=O 36593349 BXOBVZDAZVGVAV-QAPCUYQASA-N 395.459 3.690 0 40 GHAB Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)c3cccs3)nc12 33067823 SVPALCRHUSAPRU-UHFFFAOYSA-N 391.452 3.896 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1C 36329910 WGWTWIHBJNVOIV-CSMYWGQOSA-N 377.481 3.995 0 40 GHAB CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)n1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)n1 36617865 BANKRJPHTSEQJT-HBWRTXEVSA-N 388.556 3.838 0 40 GHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 219329258 UEFYDCYTYMZUIU-SFHVURJKSA-N 399.422 3.700 0 40 GHAB CC(C)(C)OC(=O)NCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1 72214302 IZTJFESNNHBNPA-UHFFFAOYSA-N 379.457 3.916 0 40 GHAB Cc1nc(N)c2ccc([C@@H]3CCCCN3C(=O)CCc3ccc(F)cc3)nc2n1 72377348 FMZIVOJRDSGTCR-IBGZPJMESA-N 393.466 3.741 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(-n2cccc2)c1 31174506 XBGIHAMPWYIRHT-UHFFFAOYSA-N 383.398 3.856 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC(c3cncc(Oc4ccccc4)n3)CC2)o1 72362710 IMRHMFVWCGMIGT-UHFFFAOYSA-N 378.432 3.894 0 40 GHAB Cc1cccc(CN(C(=O)Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)c1 224173853 MHKQXYMHWKHPOQ-GOSISDBHSA-N 384.495 3.866 0 40 GHAB O=C(COc1cccc2c1CCCC2)NCc1nc(-c2ccccc2Cl)no1 224483405 RNHZWNKLHOGVDQ-UHFFFAOYSA-N 397.862 3.964 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1nc(-c2ccccc2)no1 223645519 ATKUPIRQENRIQI-UHFFFAOYSA-N 398.271 3.663 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(CC)cc1 224622607 FSIBMQIXYAYHFB-JOCHJYFZSA-N 396.531 3.614 0 40 GHAB Cc1cc(C)cc(NC(=O)Cn2c(C)nc3c(sc4ncccc43)c2=O)c1 46153580 WPGSAMHCUDYFND-UHFFFAOYSA-N 378.457 3.570 0 40 GHAB O=C(Cn1cnc2ccccc21)Nc1cccc(-c2cn3c(n2)SCC3)c1 43939709 JCPDMLNKDKJEGW-UHFFFAOYSA-N 375.457 3.644 0 40 GHAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 224515229 QTFFMRBDNQDIAY-GOSISDBHSA-N 384.495 3.600 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 224999534 NIAWDJFUVAETQM-IBGZPJMESA-N 396.531 3.798 0 40 GHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C 223531818 JTEUXKNZQVZAQY-PMACEKPBSA-N 377.517 3.605 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 222993517 LHROPKBHSUDEMB-KGLIPLIRSA-N 398.351 3.525 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 223982299 FRNFRWGDSPZXSS-PMACEKPBSA-N 391.500 3.556 0 40 GHAB COc1cc(C)c(S(=O)(=O)N[C@H](C)COc2ccc(C)c(C)c2)c(C)c1 223108323 WMPPPPBSRZOUEY-QGZVFWFLSA-N 377.506 3.675 0 40 GHAB Cc1cccc(CN(C(=O)COc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222712250 SNEXUIXYDACPIQ-SFHVURJKSA-N 382.504 3.706 0 40 GHAB CCCN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 514290140 SKFPIBHDPPDWGX-CMKODMSKSA-N 376.497 3.594 0 40 GHAB biogenic,in-vitro O=C(c1ccncc1)N1C[C@H]2CN(Cc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 96245558 ZZHAEMLSMFOZCD-DNQXCXABSA-N 383.495 3.953 0 40 GHAB CC(C)CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCC1CC1)c1ccccc12 96241998 OIABWYVKMKHGGB-LJQANCHMSA-N 382.548 3.997 0 40 GHAB O=C(Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)N[C@@H]1CC12CCOCC2 582284042 HNZIYQSHOIMOLG-OAHLLOKOSA-N 388.855 3.958 0 40 GHAB O=C(OCc1nnc(-c2ccccc2)o1)c1ccccc1OC[C@@H]1CCCO1 26236057 NXNKDZMFDSRXRC-INIZCTEOSA-N 380.400 3.651 0 40 GHAB O=C(c1cc(-c2ccc3ccccc3c2)[nH]n1)N1CCC[C@@H](n2ccnn2)CC1 636193443 RTDJKIFGQUBEGT-LJQANCHMSA-N 386.459 3.689 0 40 GHAB CC(C)c1ccc(-c2noc(CN[C@H](c3cnn(C)c3)C3(CO)CCC3)n2)cc1 660607187 VVOBYDZZVJKCDU-HXUWFJFHSA-N 395.507 3.587 0 40 GHAB CNc1nc(C)c(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)s1 67434865 FKAIJISLEGHJTH-OAHLLOKOSA-N 381.505 3.903 0 40 GHAB C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)c3ccc(C(F)F)nc3)CC2)n1 585090841 QJDRJWGBZHLFQI-SMDDNHRTSA-N 376.407 3.621 0 40 GHAB CC(C)(CNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)[C@@]1(O)CCOC1 1162975067 UMOJGFNBNZEKCM-ZQAUEJBPSA-N 389.492 3.861 0 40 GHAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OC)cc2OC)cc1C 3236721 IDIQGHQADFLNAK-VQHVLOKHSA-N 375.446 3.902 0 40 GHAB CCN(CCCNCc1cc(-c2ccccc2)cn2nnnc12)c1ccccc1 12132095 VJNKXFMQPOGGGQ-UHFFFAOYSA-N 386.503 3.798 0 40 GHAB O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)CCC2 12330140 PLUDDOXJYPWKRH-YADHBBJMSA-N 379.500 3.559 0 40 GHAB O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1cccc(Cl)c1Cl 12893652 PWPKFSYPGWRUAE-UHFFFAOYSA-N 396.299 3.717 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1F)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714392 QIGLJFXLSWQOPV-INIZCTEOSA-N 384.860 3.662 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 14291484 YXIGGVFJRPPNLB-UHFFFAOYSA-N 385.316 3.645 0 40 GHAB O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(Cc2ccccc2)C1 15675084 UDBHPGCIHIMUQQ-AEFFLSMTSA-N 387.842 3.761 0 40 GHAB biogenic,in-vitro CNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)C2CCC2)C1 19235457 ZVLFKWXKCUPRPG-VWLOTQADSA-N 390.527 3.969 0 40 GHAB O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(Cc3cccc(F)c3)C2)no1 19293832 AOCPTEOGXJPQQM-GOSISDBHSA-N 394.450 3.518 0 40 GHAB NC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCCC2)C1 19348392 VMGBTBKRJRZODC-DEOSSOPVSA-N 394.490 3.929 0 40 GHAB CCC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)N1CCSCC1 19499705 NLAROEGDVZGTAH-HNNXBMFYSA-N 399.486 3.975 0 40 GHAB COc1cccc(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)c1 19560728 MJLVKJGVMVQARQ-UHFFFAOYSA-N 394.500 3.937 0 40 GHAB C[C@]1(C(=O)Nc2cccc(Cn3cccn3)c2)CC(c2ccccc2F)=NO1 19660923 ZPBDPFHTKGLHLA-OAQYLSRUSA-N 378.407 3.592 0 40 GHAB Cc1ccc(Cc2ccc([C@H]3CN(C(=O)c4scnc4C)CCO3)nc2)cc1 19692327 YBLLMIKPIJZHQX-HXUWFJFHSA-N 393.512 3.959 0 40 GHAB CCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)CC3)C1 19739375 AYNFVQKHDXRMGZ-GOSISDBHSA-N 398.551 3.761 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 19935601 DVTNGBSGAHBEHL-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB CSc1ccccc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937695 HISWPNHOGGRONI-UHFFFAOYSA-N 385.876 3.993 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O)N1CCCC1 205871351 ZGGZPWHMLBJWKT-MDWZMJQESA-N 385.272 3.652 0 40 GHAB COc1ccc(-c2ccc(C(=O)O)o2)c(NC(=S)NC(=O)CC(C)C)c1 226350415 IHHQRZQYORAZSX-UHFFFAOYSA-N 376.434 3.513 0 40 GHAB COc1ccccc1CN1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19570123 IOZUNWUEYYUYST-UHFFFAOYSA-N 391.397 3.531 0 40 GHAB Cc1ccnc(NC(=O)CN(C)C(=O)c2ccccc2COc2ccccc2)c1 587999165 PAFALMQPIPZFDG-UHFFFAOYSA-N 389.455 3.680 0 40 GHAB Cn1nccc1-c1ccc(CCNC(=O)c2ccccc2Br)cc1 1889264323 LINFHBGEOWWAHV-UHFFFAOYSA-N 384.277 3.822 0 40 GHAB COc1ccccc1-n1ccnc(SCC(=O)Nc2ccc(C)c(C)c2)c1=O 4853145 WJTATNAAUIGAHR-UHFFFAOYSA-N 395.484 3.589 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NCCc1csc(-c2cccc(F)c2)n1 5166136 VTTGLGWMKNSSKY-UHFFFAOYSA-N 394.468 3.918 0 40 GHAB O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1cccc(Br)c1 10687303 FGOGTXRYHXIDIY-UHFFFAOYSA-N 396.306 3.783 0 40 GHAB CC(=O)Nc1ccc(SCCCC(=O)Nc2nc3ccccc3s2)nn1 11793360 LAIAKFHWWRZCAK-UHFFFAOYSA-N 387.490 3.556 0 40 GHAB COc1ccc(-c2cc(=O)n(CC(=O)Nc3cc(Cl)ccc3C)cn2)cc1 13807270 JASICCWXXYSMSJ-UHFFFAOYSA-N 383.835 3.519 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 15883102 LUYZKNCUKWAVKD-UHFFFAOYSA-N 396.830 3.589 0 40 GHAB O=S(=O)(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1 22907941 GAYUMTPUTHFONF-HXUWFJFHSA-N 398.553 3.826 0 40 GHAB COc1ccc(CC(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)cc1OC 1775976457 AHLFAIXJRRVNHT-GOSISDBHSA-N 397.496 3.825 0 40 GHAB COc1ccc(-n2ccnc(NC(=O)Nc3ccc(F)cc3)c2=O)cc1Cl 44169764 MXEHUGJNEJJVPB-UHFFFAOYSA-N 388.786 3.678 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)N2CCCCCC2)cc1 49004166 SNAULQRFLZZTHL-UHFFFAOYSA-N 392.546 3.898 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](Oc2nc(C)cc(C)n2)C1 585339731 FQGATGAAPDPLIO-HNNXBMFYSA-N 390.871 3.831 0 40 GHAB O=C(COc1ccccc1Cl)NC(=S)Nc1ccc(Cl)c(C(=O)O)c1 6884644 SJFFVQFOTZSEOB-UHFFFAOYSA-N 399.255 3.584 0 40 GHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccccc1C(F)(F)F 32721161 IVJFNNVEHSEVOC-HNNXBMFYSA-N 384.423 3.570 0 40 GHAB CCN(CC)CCn1c(C)c(C)c2c1ncn1nc(-c3ccc(OC)cc3)nc21 21801852 KJIZNXRGUHRROJ-UHFFFAOYSA-N 392.507 3.713 0 40 GHAB CCCCN1C(=O)C[C@H](C(=O)Nc2ccccc2O)[C@@H]1c1ccc(OC)cc1 22699103 RHBANXRPENRQEC-UWJYYQICSA-N 382.460 3.729 0 40 GHAB COc1ccc(CN2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1F 22804598 FKATVASXGGPASQ-MRXNPFEDSA-N 396.466 3.763 0 40 GHAB CCCC1=NN(C(=O)c2ccccc2Br)[C@@](O)(C(F)(F)F)C1 845855 VTWLQXCQVGHXFA-ZDUSSCGKSA-N 379.176 3.702 0 40 GHAB CCNC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc2c1CCCC2 858393 RGFXRWFSSPFVAK-UHFFFAOYSA-N 376.453 3.533 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)NC1CCN(C(=O)c2cccs2)CC1 61719064 PQJIYKFSBKILNA-UHFFFAOYSA-N 395.528 3.973 0 40 GHAB CCOc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OCc1ccccc1F 807767 WUSNVOXWCRLSLK-MAUKXSAKSA-N 377.437 3.592 0 40 GHAB CC[C@H](C)N(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1ccncc1 1365725 SGRDDAZIWFPEJR-BBRMVZONSA-N 385.430 3.761 0 40 GHAB CCOC(=O)c1cnc2ccc(F)cc2c1N1CCN(Cc2ccccc2)CC1 956551 VXYOSVOIAOAPQL-UHFFFAOYSA-N 393.462 3.873 0 40 GHAB Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 983223 KWPXBLCYGFCXTK-GFCCVEGCSA-N 391.240 3.888 0 40 GHAB CCOC(=O)c1ccc(-n2c(N)c(C(=O)N3CCCCC3)sc2=S)cc1 3018675 UMQNICPDURARAD-UHFFFAOYSA-N 391.518 3.653 0 40 GHAB O=C1C(=O)N(CN2CCC(c3nc4ccccc4s3)CC2)c2ccccc21 23873122 IEPTUJVAKLJIII-UHFFFAOYSA-N 377.469 3.663 0 40 GHAB CCOC(=O)CSc1nnc2n(Cc3ccc(F)cc3)c3ccccc3n12 4891047 ZJCLTFUEJGDMTN-UHFFFAOYSA-N 384.436 3.527 0 40 GHAB Cc1nn(C)c(Cl)c1C(=O)O[C@H](C(=O)Nc1ccc2c(c1)CCC2)C(C)C 43052896 DWXWKGHZASVLQZ-KRWDZBQOSA-N 389.883 3.691 0 40 GHAB O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1Cl 6471179 GGBSURAEFPHZEI-UHFFFAOYSA-N 399.584 3.961 0 40 GHAB CCOC(=O)c1cc(NC(=O)COC(=O)c2cccc(Cl)c2)ccc1Cl 6956112 KSZYFFLBJZNLRF-UHFFFAOYSA-N 396.226 3.966 0 40 GHAB CCOc1cc(Br)c(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 6958435 CQRCBODMYKNQIV-JYRVWZFOSA-N 393.281 3.822 0 40 GHAB Cc1nnc2ccc(C(=O)Nc3ccccc3NC(=O)Cc3cccs3)cn12 95393046 ZBUAAUTXWXCITI-UHFFFAOYSA-N 391.456 3.533 0 40 GHAB CCCn1c(S[C@H](C)c2nc(N)nc(N(C)C)n2)nc2cc(Cl)ccc21 12535240 SVOFPVSLDSONAR-SNVBAGLBSA-N 391.932 3.786 0 40 GHAB CCOc1cccc2c(C)nc(Nc3nc(-c4ccc(F)cc4)cc(=O)[nH]3)nc12 10157405 VNESFHRVRFQOLA-UHFFFAOYSA-N 391.406 3.970 0 40 GHAB C[C@@H](CCO)C1(CNC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)CCC1 95987379 KLVVJWIFJVOPQU-HNNXBMFYSA-N 375.513 3.525 0 40 GHAB CC(C)C[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)O 3266104 NOOHVTMKDANSCX-INIZCTEOSA-N 397.880 3.910 0 40 GHAB COc1ccc(OCC(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1 8273446 NGINLDMMUDQPHU-UHFFFAOYSA-N 379.460 3.654 0 40 GHAB O=C(NC1CCN(C(=O)CCc2ccccc2Cl)CC1)c1ccsc1 56466853 PGKINAABZLQYBP-UHFFFAOYSA-N 376.909 3.755 0 40 GHAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2nnc(C(C)C)s2)cc1 26572357 JNUNTJUTEZQMQR-UHFFFAOYSA-N 388.522 3.920 0 40 GHAB CCOc1cc2c(cc1CNC(=O)CC13C[C@@H]4C[C@@H](CC(O)(C4)C1)C3)O[C@@H](C)C2 24646983 FSGSJCVQFMZNHF-AFDASPQZSA-N 399.531 3.746 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccn(Cc2cn3ccccc3n2)n1 58171160 AFXBXKYYEGVUAO-AWEZNQCLSA-N 395.850 3.639 0 40 GHAB CN(C)c1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)c(C(F)(F)F)c1 58133818 NIUSCLRJCXJKGH-MRXNPFEDSA-N 385.361 3.766 0 40 GHAB CC(C)[C@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1ccccc1 58224873 JNOHBJGBBZAMOH-INIZCTEOSA-N 394.924 3.881 0 40 GHAB CCc1onc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1 100155802 SSNYMIWXEDYPJJ-GASCZTMLSA-N 395.463 3.694 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(C)C)c2)cc1 12784719 XVSUBRYWIAWPDQ-FQEVSTJZSA-N 386.517 3.910 0 40 GHAB CCCCN(CCCC)CCCN1CCC(C(=O)Nc2cc(C)on2)CC1 58357761 VEWLVKAZOUSLHI-UHFFFAOYSA-N 378.561 3.926 0 40 GHAB O=C(CCNc1ncccn1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 45055504 QEIOAIKZSNTMRZ-IBGZPJMESA-N 385.471 3.708 0 40 GHAB C[C@@]1(c2ccco2)NC(=O)N(Cc2ccc(OCc3ccc(F)cc3)cc2)C1=O 58420112 NNEGOQBKMNJGJS-QFIPXVFZSA-N 394.402 3.965 0 40 GHAB CCn1c(SCC(=O)Nc2cc(F)ccc2Cl)nc2cc(C)[nH]c2c1=O 57522067 ZHOHOOQVWQWCRA-UHFFFAOYSA-N 394.859 3.576 0 40 GHAB Cc1ccc([C@@H]2N=C(N)SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)cc1 2219244 OZWAZPXHPPERRJ-HNNXBMFYSA-N 383.860 3.579 0 40 GHAB CC(C)[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1cccs1 10928100 DUBKTOZXPOYONC-INIZCTEOSA-N 375.885 3.569 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(Cl)cc1 11671235 LXBNTRZAOZXEBD-CQSZACIVSA-N 391.880 3.631 0 40 GHAB CC(C)c1ccc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 29882549 YESAGSXPYBTIRI-FMIVXFBMSA-N 378.516 3.972 0 40 GHAB CCc1noc(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)cc2)n1 21792486 ZVJYIAWRNWDTCG-INIZCTEOSA-N 390.443 3.599 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1C 3581187 WQPBUYFPAQXPIL-UHFFFAOYSA-N 380.897 3.594 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1sccc1S(=O)(=O)N1CCCCC1 12995608 KASRBUGDAFNTOK-UHFFFAOYSA-N 384.910 3.828 0 40 GHAB C[C@H](NC(=O)[C@@H](C)N1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1 12326750 VOILBQJDEWPWOX-NSHGMRRFSA-N 379.504 3.603 0 40 GHAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nncs2)C12CCCC2 71280561 YVQQKAOEEFOVIM-CZUORRHYSA-N 384.505 3.828 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 13041705 UESJLRKXNZBWIY-UHFFFAOYSA-N 380.897 3.594 0 40 GHAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)COc1ccc(C(C)(C)C)cc1 84686485 USJIFVNSFOOLMC-DNVCBOLYSA-N 380.488 3.757 0 40 GHAB O=C1NCCCN1C1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 93669470 BNEBOIFIFVCDMF-UHFFFAOYSA-N 375.822 3.739 0 40 GHAB CCCC[C@@H](Sc1nnnn1-c1ccccc1C)C(=O)Nc1cc(C)on1 14076022 BESYQGMVEXJFTQ-OAHLLOKOSA-N 386.481 3.557 0 40 GHAB Cc1cc(OCC(=O)NC2CC2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 5347514 XLHKJHPVBXRARM-UHFFFAOYSA-N 377.440 3.658 0 40 GHAB O=C(CCc1nc(-c2ccco2)no1)N1CCCc2cc(OC(F)F)ccc21 65847775 PCMNYONECJHFES-UHFFFAOYSA-N 389.358 3.843 0 40 GHAB Cc1cc(=O)oc2c3c(cc(OCC(=O)Nc4cccnc4)c12)OC(C)(C)CC3 6624375 LVQGEYGJUNSKKW-UHFFFAOYSA-N 394.427 3.618 0 40 GHAB biogenic CC(C)C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O 6874235 ZTYPJSDXXMPVDI-QFIPXVFZSA-N 389.499 3.897 0 40 GHAB biogenic C[C@@H](Sc1nc2sccc2c(=O)n1-c1ccccc1)C(=O)NC1CCCC1 6907483 VKEIIRNALYSHLO-CYBMUJFWSA-N 399.541 3.987 0 40 GHAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)N[C@H](C)C(C)C)c1 4987809 DGUYKAQHIYUHHL-QGZVFWFLSA-N 381.472 3.852 0 40 GHAB NS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl 15412292 OKGVIQIHTHEHNY-UHFFFAOYSA-N 379.652 3.547 0 40 GHAB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N(CC(C)C)CC(C)C)sc2n1 15512965 LVGQRUICAXYGIT-UHFFFAOYSA-N 391.537 3.793 0 40 GHAB O=C1COc2ccc(C(=O)CSc3ccc(Br)cc3)cc2N1 7604352 UAPWDWZCSSYSIH-UHFFFAOYSA-N 378.247 3.755 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCCO2 27388909 NTBAGICHMGUGQM-HNNXBMFYSA-N 382.460 3.557 0 40 GHAB COCCn1c(SC[C@@H](O)c2ccccc2)nc2sc(C)c(C)c2c1=O 8709285 ARJRYWIAURSTBL-OAHLLOKOSA-N 390.530 3.547 0 40 GHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)C2=CCC2)cc1 95455802 ZTGXVKOGNQLIFK-NRFANRHFSA-N 390.439 3.636 0 40 GHAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NCCC(=O)Nc1ccncc1 72280408 SIVPGRBPAVYKDD-DUXPYHPUSA-N 397.784 3.912 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H](c1cccnc1)C(C)C 75107314 KBAJIVRKLNQHJC-QFIPXVFZSA-N 376.504 3.983 0 40 GHAB CCOc1ccc(CNS(=O)(=O)c2ccc(SC)cc2)cc1OCC 408679143 IRJGTDDRLYFOAL-UHFFFAOYSA-N 381.519 3.684 0 40 GHAB COC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 113883014 FFRBEWRTXCXXGQ-UHFFFAOYSA-N 381.881 3.634 0 40 GHAB CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C1=O 409191632 JSIJZGCBUNDITM-MHWRWJLKSA-N 387.233 3.551 0 40 GHAB Cc1cccc(CNC(=O)Cn2c(Nc3cc(C)cc(C)c3)nc(C)cc2=O)c1 67319338 WNXAAZNZCPAYSP-UHFFFAOYSA-N 390.487 3.537 0 40 GHAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(N2CCc3ccccc32)CC1 503389612 ZJTXTPBMHWMMCL-GOSISDBHSA-N 395.522 3.700 0 40 GHAB O=S(=O)(c1ccccc1)N1CCC[C@H](c2nnc(Cc3ccccc3)s2)C1 36705259 KPERKWODDKPDRL-KRWDZBQOSA-N 399.541 3.697 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 408612889 ZFSRLRWAROFJAN-CYBMUJFWSA-N 380.897 3.978 0 40 GHAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2C(=O)c2ccncc2)n1 72376959 AQJYLGLATKNYCJ-SFHVURJKSA-N 377.423 3.627 0 40 GHAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(-c3ccco3)n1C1CC1)C2 32105764 HRANCDYVASAVMK-QGZVFWFLSA-N 397.456 3.790 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN=Cc2cc(N)ccc21 73642487 JKYWWZJXJIWNEG-LLVKDONJSA-N 378.259 3.809 0 40 GHAB COCCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccc(OC)cc1 1565520426 RGLAPJIXASBEOH-RXVVDRJESA-N 389.540 3.830 0 40 GHAB biogenic CC(=O)NC1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 72064527 HPKGDSAFADDMHY-UHFFFAOYSA-N 397.422 3.570 0 40 GHAB COc1ccc(Cc2cccc(C3CCN(C(=O)c4coc(C)n4)CC3)n2)cc1 72350463 MTGOICNSHNHYQG-UHFFFAOYSA-N 391.471 3.997 0 40 GHAB CCc1nccn1-c1cncc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 72355391 FMZOIHKKAZUQRB-UHFFFAOYSA-N 389.503 3.564 0 40 GHAB C[C@H](c1ccc(F)cc1)N1CC[C@@H](Nc2cccc([C@H]3CCC(=O)N3)c2)C1=O 568491853 UDVSPEUENVBPKU-JSNMRZPZSA-N 381.451 3.551 0 40 GHAB Cc1cnc(C(=O)N2CCC(c3nccnc3Oc3cccc(F)c3)CC2)cn1 72362496 PCFVRYTUWSCUSI-UHFFFAOYSA-N 393.422 3.526 0 40 GHAB COc1cccc(CCCNS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 225750758 GWLYRIXGJGCGDW-UHFFFAOYSA-N 385.485 3.768 0 40 GHAB O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1cc2ccccc2s1 225809194 SGXHXLTXOKUIGF-UHFFFAOYSA-N 376.363 3.893 0 40 GHAB CCCCc1c(C)nc2nc(SCC[S@@](=O)c3ccccc3)nn2c1C 48355342 QQVBTQYOSNYYKT-SANMLTNESA-N 388.562 3.984 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1NC(C)=O 223732897 JEBKLSQIMUIEEY-UHFFFAOYSA-N 394.518 3.955 0 40 GHAB O=C(O)c1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 40283921 LLIJYUORBGTBAF-UHFFFAOYSA-N 383.407 3.925 0 40 GHAB CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1cnc2c(c1)C[C@H](N)CC2 573476479 KRXQSMQEUXBRIU-MRXNPFEDSA-N 389.503 3.633 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 223265772 ZVMUABKTVKHPCK-UHFFFAOYSA-N 392.480 3.715 0 40 GHAB O=C(NCc1cccc2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 222898608 UBDOJFZCPIBSEX-UHFFFAOYSA-N 394.496 3.554 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 223057379 ADVNSGRVOURYDT-FQEVSTJZSA-N 382.504 3.544 0 40 GHAB CS(=O)(=O)Cc1cccc(C(=O)NCc2cccc(Oc3ccccc3)c2)c1 40093542 PWGLWBVESUBRCT-UHFFFAOYSA-N 395.480 3.954 0 40 GHAB COc1ccc(-c2nnc3sc(-c4cc(F)c(F)c(F)c4)nn23)cc1OC 49549583 UHBKDPUBWWBOOP-UHFFFAOYSA-N 392.362 3.954 0 40 GHAB Cc1cccc(CNC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)c1 225850931 LYCWMORBJKUFMB-UHFFFAOYSA-N 388.514 3.536 0 40 GHAB C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)C2=C(c3ccccc3)CCCC2)C1 1587859379 LQLIPAOXQXFASD-LJQANCHMSA-N 380.410 3.684 0 40 GHAB O=C(NCc1ccco1)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1 96155370 VTHHGDDOIUNHEJ-UHFFFAOYSA-N 383.411 3.710 0 40 GHAB O=C(Nc1ncc(-c2ccccc2)s1)N1CCN(c2cccc(O)c2)CC1 97308191 XGJSHOQLKFHZRS-UHFFFAOYSA-N 380.473 3.870 0 40 GHAB O=C(Cn1ccc2cc(Br)ccc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 96125594 DPTPQBWAUBHMMH-BEFAXECRSA-N 391.309 3.557 0 40 GHAB biogenic CCc1c(-c2nc(C3(c4ccc(OC)c(OC)c4)CCCC3)no2)nnn1CC 585084208 JYIZUVKXGDEWQL-UHFFFAOYSA-N 397.479 3.788 0 40 GHAB CN1CCN(CCOc2ccc(-c3ccccc3C[C@H]3CCCCN3)cc2)CC1 653509390 DSQQDWHPKQFBLO-HSZRJFAPSA-N 393.575 3.664 0 40 GHAB Cc1noc(Cc2ccccc2NC(=O)CSc2nc3ccccc3o2)n1 96097027 LZJGYIAHWHLBAS-UHFFFAOYSA-N 380.429 3.841 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2cccc(Oc3ccccn3)c2)CC1 96383095 OWBRQVAWJWDTTC-UHFFFAOYSA-N 389.455 3.845 0 40 GHAB CO[C@@H]1CCN(c2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc2)C1 96381855 JEDBJFSZNCXRSB-MRXNPFEDSA-N 380.897 3.674 0 40 GHAB O[C@@H](CSc1nnc2ccc(C(F)(F)F)cn12)c1cc(F)ccc1F 89768469 ZSPHKELBHPESCD-LBPRGKRZSA-N 375.322 3.852 0 40 GHAB COc1cc(OC)cc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)O2)c1 3321892 CMTKIWCELSGQOP-FRKPEAEDSA-N 388.217 3.811 0 40 GHAB COc1nc2cc(C)ccc2cc1CN(Cc1ccc2c(c1)OCO2)C[C@@H](C)O 12147968 KOXIVKRMTAYOGS-MRXNPFEDSA-N 394.471 3.664 0 40 GHAB COc1cc(C(=O)N2CCO[C@H](C)C2)ccc1OCc1ccccc1Cl 12797910 ZZSQWGCHJXEJHP-CQSZACIVSA-N 375.852 3.789 0 40 GHAB C[C@H]1CN(C(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C2CC2)C[C@@H](C)O1 17077654 LIJYTSIXEYONSM-AEJSXWLSSA-N 379.810 3.630 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](c2nnc(-c3ccsc3)o2)C1 19336096 TXIWWRAHMSMGCF-LLVKDONJSA-N 395.893 3.630 0 40 GHAB CCCC(=O)N1CCC[C@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 19501205 LECWPCPHHRMOAK-XMMPIXPASA-N 393.531 3.788 0 40 GHAB CCc1nccn1C[C@H](C)C(=O)N1CCC[C@H](c2nc3ccccc3cc2N)C1 19523540 TWWJUPLSOZVZBT-WMZOPIPTSA-N 391.519 3.618 0 40 GHAB COc1ccc(CN2CCC([C@@H](NC(=O)C3CCC3)c3ccccn3)CC2)cc1 19554944 FENXDSZYDKATNN-HSZRJFAPSA-N 393.531 3.960 0 40 GHAB COc1cccc(-c2ccc(NC(=O)c3ccc(Cn4cnnn4)cc3)cc2)c1 19665792 ZQKPWHDYXYXUGU-UHFFFAOYSA-N 385.427 3.649 0 40 GHAB Nc1ncc(-c2ccc([C@@H]3CCCN3C(=O)c3nccc4ccccc34)nc2)cn1 19691752 KRKBGCLFGCGKGX-FQEVSTJZSA-N 396.454 3.646 0 40 GHAB NC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccccn2)CC1 19700378 CYEXBOAXCVGIBG-UHFFFAOYSA-N 399.494 3.699 0 40 GHAB CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)c3oc(C)cc3c2)c1 19659636 SDOXNHRGJWNTFB-UHFFFAOYSA-N 396.827 3.694 0 40 GHAB Clc1cccc(Cl)c1C1CCN(Cc2nnnn2C2CCOCC2)CC1 581094343 NZYNCXCAHAJLPQ-UHFFFAOYSA-N 396.322 3.711 0 40 GHAB COc1cccc(NC(=O)[C@@H](NCc2cn3ccccc3n2)c2ccccc2)c1 7001896 RRVZUKCCNVGQBG-QFIPXVFZSA-N 386.455 3.813 0 40 GHAB Cc1cccc(CS(=O)(=O)N2CCC(Oc3cccc4cccnc34)CC2)c1 238893911 QWFAVNHLNMYLIV-UHFFFAOYSA-N 396.512 3.916 0 40 GHAB COC(=O)c1c(NC(=O)COc2ccc(F)cc2F)sc2c1CCCC2 719832 BVHVXZXLGRBELN-UHFFFAOYSA-N 381.400 3.709 0 40 GHAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)c1ccccc1F 2456812 UPCXCQRWEFBETN-SANMLTNESA-N 389.839 3.679 0 40 GHAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1cccc(Br)c1 5797261 TXMWGPCJAOGNLE-UHFFFAOYSA-N 398.216 3.544 0 40 GHAB COc1ccc(NC(=O)Cn2c(C)nc3c(sc4ccccc43)c2=O)cc1 16841600 JESNYEQYHTWNLJ-UHFFFAOYSA-N 379.441 3.567 0 40 GHAB O=C(NC1CC1)C1(Nc2nccs2)CCN(Cc2ccc(Cl)cc2)CC1 2055746164 SSVQWSQRHPFLAZ-UHFFFAOYSA-N 390.940 3.522 0 40 GHAB COc1ccccc1N1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 20807275 NEDUKXQTWGHTDD-HXUWFJFHSA-N 398.547 3.555 0 40 GHAB Cc1cc(NC(=O)COc2ccc(F)cc2)n(-c2nc3ccccc3s2)n1 21684406 UGRUBANAZXQBKD-UHFFFAOYSA-N 382.420 3.947 0 40 GHAB O=C(Cc1cccc2ccccc12)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775966394 BKVXMCSPMVZDSD-UHFFFAOYSA-N 387.483 3.680 0 40 GHAB CC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccccc4C)no3)cc12 33267382 ATZHRONRFBOFNQ-UHFFFAOYSA-N 391.383 3.585 0 40 GHAB O=C(NCc1ccc([C@H](O)c2ccsc2)s1)Nc1ccc2c(c1)OCO2 207968138 MDYXEZKOVFKFRO-QGZVFWFLSA-N 388.470 3.942 0 40 GHAB CCn1c(SCCCOc2c(C=O)cccc2OC)nnc1C(C)(C)C 8731788 JUYCGHHAPUPJNH-UHFFFAOYSA-N 377.510 3.978 0 40 GHAB CC[C@@H](C)C(=O)N1CCC[C@@](Cc2cc(-c3cccc(C)c3)no2)(C(=O)O)C1 12241807 FBHJUHDWWZBHLC-ZHRRBRCNSA-N 384.476 3.932 0 40 GHAB COCCn1c(-c2nc(C(=O)NCc3ccco3)cs2)cc2ccccc21 36708176 MAJAIWCMQLEAKW-UHFFFAOYSA-N 381.457 3.934 0 40 GHAB CCN(Cc1cccc(NC(=O)NC[C@H](C)N(C)c2ccccc2)c1)C(C)=O 40105578 RFRLMEYAYABPND-KRWDZBQOSA-N 382.508 3.701 0 40 GHAB CN(c1ccccc1)c1ccccc1NC(=O)CCn1nnc2ccccc2c1=O 40114537 OBQCDYRHIQPPOF-UHFFFAOYSA-N 399.454 3.588 0 40 GHAB O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccc(Cl)c(Cl)c1 20103335 ZCMWXDFSLXNLDV-CQSZACIVSA-N 375.215 3.519 0 40 GHAB NC(=O)COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)cc1 40267104 PLJUUQCBZUMXRT-MRXNPFEDSA-N 396.834 3.513 0 40 GHAB Cc1ccc(-c2nc3c(c(SCCN4CCOCC4)n2)COC(C)(C)C3)cc1 20546913 IXFMJQHBLSWBFK-UHFFFAOYSA-N 399.560 3.728 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1C(C)(C)C 32601669 HLRBDFKMRSRWEV-UHFFFAOYSA-N 377.462 3.882 0 40 GHAB C[C@H]1Sc2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2NC1=O 32971614 OMUXTCXSPFCQGJ-LLVKDONJSA-N 396.497 3.814 0 40 GHAB Cc1ccc2c(COC(=O)Cc3csc(-c4ccccn4)n3)cc(=O)oc2c1 22381296 RCXSNCYVUUPGLF-UHFFFAOYSA-N 392.436 3.906 0 40 GHAB CCOc1ccc([C@@H]2C[C@H](c3ccc(OC)c(OC)c3)n3ncnc3N2)cc1 803099 HHFWTJCXXSPCBI-ZWKOTPCHSA-N 380.448 3.840 0 40 GHAB CC[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1ccc(C(C)=O)cc1 815667 WSNRPNGTDNOOPU-QGZVFWFLSA-N 395.488 3.589 0 40 GHAB C[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1 995073 QDGZFGDYNGPTTF-JTQLQIEISA-N 378.881 3.643 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)Nc2ccc(F)cc2Cl)c1 3258964 WNKUMEGEOJKBCH-FPYGCLRLSA-N 393.798 3.691 0 40 GHAB CC(C)[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1 3420152 AVBBFQXADYKWHI-INIZCTEOSA-N 395.528 3.698 0 40 GHAB Cc1ccccc1NC(=O)CSc1ccc2nnc(-c3cccc(F)c3)n2n1 4164521 PMQMACWLRZBBAQ-UHFFFAOYSA-N 393.447 3.970 0 40 GHAB COc1cc(-c2noc(-c3ccccc3C(=O)NC(C)C)n2)cc(OC)c1OC 4384062 OQFCXGIOHLPDMK-UHFFFAOYSA-N 397.431 3.568 0 40 GHAB CC1=C(C(N)=O)[C@@H](c2cccc(C)c2)n2nc(-c3ccc(Cl)cc3)nc2N1 4574589 JQZHIJVSJSFQFC-QGZVFWFLSA-N 379.851 3.681 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)c1ccc(Cl)nc1 4986465 YWWRNDXCUOZSIM-CYBMUJFWSA-N 391.924 3.886 0 40 GHAB COc1cc2nc(SCC(=O)c3ccccc3)n3nc(C)nc3c2cc1OC 5005741 ICEKBQLZRRIVJA-UHFFFAOYSA-N 394.456 3.578 0 40 GHAB O=C(CNc1ccc(Br)cc1)Nc1ccc2c(c1)OCCCO2 5172823 ZNCNTNJDPZUMAJ-UHFFFAOYSA-N 377.238 3.661 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O 5305219 LIOSGBZNDWUZKO-QRWLVFNGSA-N 393.462 3.892 0 40 GHAB Cc1ccccc1-c1nnn(CC(=O)Nc2c(Cl)ccc(C)c2Cl)n1 5326913 WWJHTRCTBZAFKA-UHFFFAOYSA-N 376.247 3.902 0 40 GHAB COc1ccc2c(C)c(CC(=O)NCCC3=CCCCC3)c(=O)oc2c1OC 5346265 AHCWMTLEKQYRMN-UHFFFAOYSA-N 385.460 3.668 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(CS(C)(=O)=O)cc1 5509536 DTTYRKJDHKJILT-UHFFFAOYSA-N 375.490 3.790 0 40 GHAB CCOC(=O)/C=C/COc1c(Br)cc(Br)cc1C=O 5952690 KUIYQPCPWUKYNX-ONEGZZNKSA-N 392.043 3.522 0 40 GHAB Cc1cc(NC(=O)COc2ccc(Br)cc2Br)no1 6078790 RNSPNOHWSJDQFD-UHFFFAOYSA-N 390.031 3.526 0 40 GHAB CCOc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)ccc1OC 6164264 NKYLOBYUMOSFHO-UHFFFAOYSA-N 381.787 3.682 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)NC3CCCC3)c2)c1 6681252 BGAIEKZUOVEHRZ-UHFFFAOYSA-N 378.519 3.554 0 40 GHAB CC(C)C(=O)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCS(=O)(=O)C1 6719904 XQPQIOIUEVKEBJ-INIZCTEOSA-N 395.908 3.772 0 40 GHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O 7070871 HISORIYBJNKSRL-VAENJDROSA-N 398.824 3.626 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(NCc2ccco2)s1 7161625 JUMGHJZOIUKRMC-GFCCVEGCSA-N 386.502 3.813 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2nc(-c3ccsc3)no2)c1 7242333 GYKXJQCSFVFCNG-GFCCVEGCSA-N 387.461 3.625 0 40 GHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N[C@H]1CCCc2ccccc21 8279981 VIYGDQPPGIOTCP-NRFANRHFSA-N 375.472 3.597 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 8745957 OVIDBUGUPRAYNE-RNODOKPDSA-N 386.883 3.835 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(O)cc1)N(Cc1cccnc1)C3=O 8846257 LPQJYXFKUIWIIL-NRFANRHFSA-N 398.418 3.947 0 40 GHAB Cc1cccc(-c2nnc3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n23)c1 9189353 KWWPVOHZJRNTKN-NVNXTCNLSA-N 388.279 3.981 0 40 GHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@H]1CCOc2ccccc21 9913557 VBXFOXAFVGCKNT-HNNXBMFYSA-N 390.468 3.800 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)Sc2cc(C(=O)NC3CC3)c3ccccc3n2)on1 10870600 AACUDPCQNGQFKY-GFCCVEGCSA-N 396.472 3.543 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)COc1ccc(F)cc1Cl 11083674 SXBJXPUIPIQSIN-UHFFFAOYSA-N 387.842 3.761 0 40 GHAB COc1cc(NC(=O)COc2ccc(Cl)c(C)c2)ccc1N1CCCC1=O 11445873 HNLVBZQPVXGGMF-UHFFFAOYSA-N 388.851 3.801 0 40 GHAB COc1cccc(CC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)c1 12087770 QITAYUWMJIJFCZ-UHFFFAOYSA-N 375.472 3.774 0 40 GHAB O=c1[nH]cc(-c2ccc(F)cc2)cc1CNc1ccc(N2CCOCC2)c(F)c1 12143460 WZVKGHWGZXELFQ-UHFFFAOYSA-N 397.425 3.769 0 40 GHAB CCOc1cc2c(cc1CN1CCC[C@@](O)(c3ccc(F)cc3)CC1)OCO2 12188834 AWAUAFFULSFFHR-QFIPXVFZSA-N 387.451 3.827 0 40 GHAB Cc1nccc(-c2ccc(-c3noc(CN(CCO)C4CCCCC4)n3)cc2)n1 12337085 GCZDDPJDNRENPN-UHFFFAOYSA-N 393.491 3.629 0 40 GHAB O=C(Nc1cccnc1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 12533601 NDYLBYHPLRDYHV-UHFFFAOYSA-N 377.787 3.788 0 40 GHAB O=C(COCc1nc2ccccc2s1)Nc1nc(-c2cccnc2)cs1 12634462 RNRUCKALCLSBTI-UHFFFAOYSA-N 382.470 3.970 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2F)c(C)c1 12903097 UIBNOKQBZAUWKF-SFHVURJKSA-N 390.480 3.543 0 40 GHAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)c1ccc(OC)cc1)C2=O 14138713 NLUSKXUIYRHZNX-UHFFFAOYSA-N 386.492 3.795 0 40 GHAB CC(C)[C@@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)OCCCO2 14160865 NPBFPQLHEQKPGR-OAQYLSRUSA-N 379.460 3.571 0 40 GHAB COc1ccc(OCCCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 14401500 XVEHCZHZGFPHKG-WEVVVXLNSA-N 394.515 3.712 0 40 GHAB O=C(CCC(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 15267432 GXMMLJRHCSIMIY-UHFFFAOYSA-N 376.206 3.779 0 40 GHAB Cc1cc(-c2cnc(NCCNC(=O)[C@H]3C[C@@H]3C)nc2-c2ccc(C)s2)on1 19217395 VNBKYXVGEIGHEY-FZMZJTMJSA-N 397.504 3.661 0 40 GHAB Cn1cnc2ccc(NC(=O)c3cnn4c(C(F)F)cc(C5CC5)nc34)cc21 19715349 GXLLDVARJALOCW-UHFFFAOYSA-N 382.374 3.683 0 40 GHAB Cc1nc(CC(=O)N2CCC(CC(=O)N[C@H](C)c3ccccc3)CC2)cs1 19748610 MACCZSDZMUIYCZ-OAHLLOKOSA-N 385.533 3.500 0 40 GHAB C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)C1 19829788 KDAJVFNSWWYRAS-NSHDSACASA-N 396.310 3.850 0 40 GHAB COc1ccc(CCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1OC 20102862 NJWQXHBJOPRKGW-UHFFFAOYSA-N 396.531 3.583 0 40 GHAB COc1ccccc1C(=O)NC(=S)Nc1cccc(-c2ccc(CO)o2)c1 20274723 RJAPPPYLDQRZIZ-UHFFFAOYSA-N 382.441 3.574 0 40 GHAB Cc1ccc(C)c(-n2nnc(-c3nsc(NC(=O)c4ccco4)n3)c2C)c1 20848781 GVQQOCKJVNMAIQ-UHFFFAOYSA-N 380.433 3.556 0 40 GHAB O=c1cc(CN2CCN(Cc3ccccc3)CC2)occ1OCc1ccccc1 22577665 CEXANGPBIVYRQN-UHFFFAOYSA-N 390.483 3.537 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)c1cnc2c(cnn2Cc2ccccc2)c1 23390754 FHERLSHUIBNVIR-UHFFFAOYSA-N 395.466 3.933 0 40 GHAB CCOc1c(Cl)cc(C(=O)N2CCN(Cc3cccs3)CC2)cc1OC 23735257 IAETVFUGEOTRJQ-UHFFFAOYSA-N 394.924 3.767 0 40 GHAB O=C1C(=O)N(CN2CCc3sccc3[C@@H]2c2cccs2)c2ccccc21 23855506 WFUDLTYEPHPIMJ-GOSISDBHSA-N 380.494 3.944 0 40 GHAB C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)Cc1ccccc1N1CCCCC1 24391671 XLRKNYSIFYXMCG-SFHVURJKSA-N 394.519 3.846 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cc(-c2ccc(Cl)cc2)no1 25043790 YMDVBLYXNMDUAS-UHFFFAOYSA-N 380.835 3.864 0 40 GHAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H](Cc1ccccc1)n1cnnn1 25466459 WCDOXSDLPCXVFH-JOCHJYFZSA-N 381.439 3.667 0 40 GHAB Cc1ccc(CN(C)C(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 27772512 FPAXKQQTDRMNFR-UHFFFAOYSA-N 382.529 3.982 0 40 GHAB COc1ccc(-c2nc(CCNC(=O)COc3ccc(F)cc3)cs2)cc1 27994174 JQTKVQDJSOMSHJ-UHFFFAOYSA-N 386.448 3.696 0 40 GHAB Cc1ccc(Cn2cccc/c2=N\C(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 29386973 WLFCVICSPGNJCZ-NJNXFGOHSA-N 393.531 3.557 0 40 GHAB CCOC(=O)c1ccc(OC[C@@H](O)CN2CCc3sccc3[C@@H]2CC)cc1 30224110 NLCFKBADTDIDIV-LPHOPBHVSA-N 389.517 3.674 0 40 GHAB Cc1cccc(Cn2nccc2NC(=O)CCc2nc(-c3ccccc3)no2)c1 30527117 OERRUBQANTUTHC-UHFFFAOYSA-N 387.443 3.861 0 40 GHAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(Cn2cncn2)cc1 30649414 IXDOAVLZUSMNGQ-UHFFFAOYSA-N 381.486 3.693 0 40 GHAB CCCOc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1 31903917 ORHGQSWYZJTHGP-UHFFFAOYSA-N 384.295 3.716 0 40 GHAB C[C@@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccc(F)cc2)oc1=O 32855702 WSUCOXZDUCYDRW-LBPRGKRZSA-N 384.436 3.903 0 40 GHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCCCCCC1 32968976 UYMHZIKVWHUYKH-QGZVFWFLSA-N 382.957 3.984 0 40 GHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3C[C@H]3C)ccc2Cl)cc1 33026202 SMLXCGDRFIWYLD-ABAIWWIYSA-N 394.880 3.744 0 40 GHAB COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1C 40128142 HIHXALJYONNXDZ-UHFFFAOYSA-N 385.247 3.994 0 40 GHAB COc1ccc(F)cc1[C@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 42929530 CQLUSLAPGSGIMM-INIZCTEOSA-N 385.483 3.859 0 40 GHAB Cc1cc(CN2CCC(CNC(=O)c3cc4ccccc4oc3=O)CC2)c(C)o1 43972699 LQQFFFHTWUGQJZ-UHFFFAOYSA-N 394.471 3.645 0 40 GHAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2cc(OC)cc(OC)c2)cc1 44886507 SYRRBNWRNXXKCG-OAQYLSRUSA-N 387.476 3.995 0 40 GHAB COC(=O)c1cc(Oc2nc3cc(C)nn3c3ccccc23)cc(C(=O)OC)c1 46669696 WETUJKDUKCLQPA-UHFFFAOYSA-N 391.383 3.556 0 40 GHAB COc1cc(C(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)ccc1C 47928244 WHCUYVQFXDOLEY-UHFFFAOYSA-N 387.867 3.647 0 40 GHAB CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1 48272961 CAXVNDBLBZHGTD-QFBILLFUSA-N 376.497 3.672 0 40 GHAB FC(F)(F)c1ccc(-n2nnnc2CSc2ncnc3ccccc23)cc1 48343128 HLXWHTFASVSORV-UHFFFAOYSA-N 388.378 3.917 0 40 GHAB CCCCc1c(C)nc2nc(SCC[S@](=O)c3ccccc3)nn2c1C 48355343 QQVBTQYOSNYYKT-AREMUKBSSA-N 388.562 3.984 0 40 GHAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccccc1-n1cccn1 53633333 IFCPSIVVZUXYBD-UHFFFAOYSA-N 375.476 3.578 0 40 GHAB Cc1ccc(S(=O)(=O)c2nnn3c2nc(Cl)c2cc(Cl)ccc23)cc1 57508948 FYHKZCXVGSOFJY-UHFFFAOYSA-N 393.255 3.726 0 40 GHAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1C 57528044 RBGFSKFSBIECDR-UHFFFAOYSA-N 385.826 3.958 0 40 GHAB FC(F)(F)c1cc(Cl)ccc1-n1nnnc1CSC1=NCCS1 58162595 XJBXWOUROFKEJC-UHFFFAOYSA-N 379.820 3.671 0 40 GHAB COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)NCC(C)C)C(=O)OC2 62001767 RZVGGAVDTNGTLB-VGOFMYFVSA-N 389.492 3.724 0 40 GHAB biogenic CC[C@H](C)n1c(SCC(=O)N2CCc3ccccc32)nc2cc(C)[nH]c2c1=O 67239142 MNNCSTXXOWALKZ-AWEZNQCLSA-N 396.516 3.685 0 40 GHAB FC(F)(F)c1ccccc1Cn1nc(Br)nc1Br 67799404 GOUGBZOMZWFVNX-UHFFFAOYSA-N 384.981 3.870 0 40 GHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCC[C@@H]2CCC[C@H]21 72296896 RCAODMVKNVGYPV-DZGCQCFKSA-N 399.541 3.978 0 40 GHAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 72349630 TXWUVBNNIBIAOF-LJQANCHMSA-N 377.488 3.744 0 40 GHAB COc1ccc(CN2CCCC[C@@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)cc1 72380592 ARTSNMGTCNXPQZ-OAQYLSRUSA-N 382.508 3.818 0 40 GHAB O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 90612527 FJVLGSFLVWRVGL-HXUWFJFHSA-N 375.424 3.936 0 40 GHAB COC(=O)c1nc(NC(=O)Cc2c(C)noc2C)sc1CCc1ccccc1 95473433 SCBTZGYDUZPUOE-UHFFFAOYSA-N 399.472 3.501 0 40 GHAB COc1ccc(CNC(=O)Cc2c(C)n[nH]c2-c2ccc(Cl)cc2)cc1OC 95474793 ZYLCMMANUBHKQX-UHFFFAOYSA-N 399.878 3.915 0 40 GHAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1 96118575 NFKFCVDTYIMECP-AWEZNQCLSA-N 380.423 3.817 0 40 GHAB CO[C@@](C)(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1F 96123596 BLWDBRNTUPYZRR-INIZCTEOSA-N 391.386 3.685 0 40 GHAB O=C(CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccc(Cl)c1Cl 102527721 MKXFLJKGHJQOEP-VXGBXAGGSA-N 381.259 3.663 0 40 GHAB O=C(OCc1nc2ccsc2c(=O)[nH]1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102546608 UKOGCEHZSLYKHZ-BASMTZLZSA-N 378.881 3.606 0 40 GHAB COc1ccc(NCc2cc(I)c(OC)c(OC)c2)cc1 102938791 BMYXOTNUTXKOLH-UHFFFAOYSA-N 399.228 3.929 0 40 GHAB CCc1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 113940470 LVJONOBDXNCCMC-ZDUSSCGKSA-N 380.897 3.696 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222503374 JDUSYRTVDKLUSR-ZDUSSCGKSA-N 380.897 3.535 0 40 GHAB CSc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1NC(C)=O 223096063 PCXPKEHDTKMSPV-LBPRGKRZSA-N 376.503 3.507 0 40 GHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(CC)cc1 224085879 PANMQVNXHUNKAN-IBGZPJMESA-N 380.532 3.778 0 40 GHAB O=C(CCCc1ccc2c(c1)OCCO2)NCCOc1ccc(Cl)cc1 224945051 HBTRMNOVXHRJIX-UHFFFAOYSA-N 375.852 3.629 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)c1 225454393 NAXPDBIMVOFKSO-UHFFFAOYSA-N 380.473 3.536 0 40 GHAB COc1cc(C)c(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(C)c1 225680160 ABADELOUZIWNCL-KRWDZBQOSA-N 375.490 3.893 0 40 GHAB Cc1ncncc1C(=O)N1CCC[C@](C)(c2ncc(Cc3cccc(F)c3)o2)C1 257246284 ITLBMLIZWMJMRT-QFIPXVFZSA-N 394.450 3.697 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)on1 257296071 RBCJMKPPYHLCEL-QAQDUYKDSA-N 391.475 3.847 0 40 GHAB O=C(O)c1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)o2)cc1 409237685 BDPLXAGOFFAJQI-LDADJPATSA-N 388.379 3.738 0 40 GHAB COc1ccc(Br)c(C(=O)N2CCC[C@H](Oc3ccncc3)C2)c1 575611636 FEHGZRNQOASDFF-HNNXBMFYSA-N 391.265 3.536 0 40 GHAB CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(Oc2ccncc2C)CC1 585084815 OCZZBMSDELKOOQ-IBGZPJMESA-N 381.520 3.670 0 40 GHAB CC1(C)CC[C@@H]2[C@@H](CCCN2CC2(O)CCN(c3ccc(F)cc3)CC2)O1 585287441 WVNCJEAOYVNORK-WOJBJXKFSA-N 376.516 3.579 0 40 GHAB C[C@@H]1CN(Cc2ccc(C(=O)Nc3n[nH]cc3-c3ccccc3)cc2)C[C@@H](C)O1 1158669793 KINZSURALIJDED-IAGOWNOFSA-N 390.487 3.938 0 40 GHAB Clc1cccc(-c2nc(Cn3nnc(-c4ccsc4)n3)no2)c1Cl 1613395256 WBIZYCMUEPJHCJ-UHFFFAOYSA-N 379.232 3.807 0 40 GHAB CC(=O)NCC1(F)CCN(c2nc3ccc(Br)cc3s2)CC1 2298060311 DFNTYWNLPLYAMS-UHFFFAOYSA-N 386.290 3.503 0 40 GHAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cccc(C)n1 684355 VHUWJIZJWUCHOR-LJQANCHMSA-N 393.472 3.798 0 40 GHAB COc1ccc(/C=C2/N=C(c3ccc(OC(F)F)cc3)OC2=O)cc1OC 703406 YLTMGBMQTDZJQI-NTEUORMPSA-N 375.327 3.650 0 40 GHAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)NC1CCCC1 778579 SFOGGVQOEBNJRO-UHFFFAOYSA-N 388.537 3.645 0 40 GHAB Cc1ccccc1/N=c1\oc2cc(O)ccc2cc1C(=O)NC[C@@H]1CCCO1 876812 LMWUSDJAJZIFFD-ISWCOFGISA-N 378.428 3.588 0 40 GHAB O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)Nc1cccc(Cl)c1 1321008 ZMDVLVSZDJBOIV-UHFFFAOYSA-N 396.859 3.812 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nc2n(n1)[C@H](c1ccccc1)CC(=O)N2 2399537 RARNLXDEQGPCTM-KXKDPZRNSA-N 393.834 3.515 0 40 GHAB COC(=O)c1cccc(C(=O)OC)c1NC(=O)C1(c2ccccc2)CCCC1 2512613 YSFNGHLIAGDGQS-UHFFFAOYSA-N 381.428 3.710 0 40 GHAB Cc1cc(C(=O)OCC(=O)Nc2nc3ccccc3s2)c2ccccc2n1 2746340 QONPXTDNZITBFP-UHFFFAOYSA-N 377.425 3.948 0 40 GHAB O=C(COc1cc(Cl)c(Cl)cc1Cl)NC(=O)NCc1ccco1 3149615 UIQBQZBQNOZLRZ-UHFFFAOYSA-N 377.611 3.645 0 40 GHAB CCOc1ccc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc1OCC 3544700 KWNHKODMLUWSRD-HNNXBMFYSA-N 383.444 3.619 0 40 GHAB Cc1cc(C)c2sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)nc2c1 4292225 OAMKXSMKGALTFG-UHFFFAOYSA-N 379.441 3.819 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1C 4735640 GIZANSHNTXZOBT-FQEVSTJZSA-N 377.444 3.823 0 40 GHAB O=C(Nc1nnc(C2CCCCC2)s1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4815899 ROSVTZIPLRAZSA-ZDUSSCGKSA-N 388.468 3.717 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CCc1nc2ccccc2s1 4977375 FQAGTOJCRAXOFN-AWEZNQCLSA-N 380.469 3.750 0 40 GHAB Cc1ccc(N2C[C@@H](NC(=O)Nc3ccc(OC(F)F)cc3)CC2=O)cc1 5123627 BSHFPZMAJRYNFD-AWEZNQCLSA-N 375.375 3.523 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc(-c3nnco3)cc2)c1C 5209055 KUNMQKHTLGMSLE-CYBMUJFWSA-N 383.404 3.508 0 40 GHAB COc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(OC)c1 6047300 ZJTFDDXVSYNOGE-IDHHARJASA-N 378.465 3.865 0 40 GHAB Cc1ccc(C)c(-c2csc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)n2)c1 6083303 SVRCLGNXRDQURX-KXBFYZLASA-N 387.530 3.819 0 40 GHAB CC[C@@](C)(C(=O)Nc1ccccc1C)N(C(=O)CNC(C)=O)c1ccc(C)cc1 6224470 WGKPLRDFGVHHMK-QHCPKHFHSA-N 395.503 3.580 0 40 GHAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(Br)c2)n2ncnc2N1 6593540 WTDZCLYEXSZDCW-HNNXBMFYSA-N 391.269 3.673 0 40 GHAB CCCNC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 7191259 QHHIRPRHPXQLFS-MRXNPFEDSA-N 387.553 3.573 0 40 GHAB COc1ccc2c(COC(=O)c3cccnc3SC(F)F)cc(=O)oc2c1 7284238 YQCJYOLJWWEQMN-UHFFFAOYSA-N 393.367 3.868 0 40 GHAB Cc1ccc2nc(COC(=O)C(c3ccccc3)c3ccccc3)cc(=O)n2c1 7418844 XIHBVMBQFOOMIA-UHFFFAOYSA-N 384.435 3.878 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c(Br)c1 7708640 STDPLZFSJPISTI-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB CCCCn1nnnc1COC(=O)c1c2c(nc3ccccc13)CCCCC2 7985807 GYPWOIIFTHHZST-UHFFFAOYSA-N 379.464 3.647 0 40 GHAB CCOc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1OCC 8041112 TWOJKEJGGMFNQR-UHFFFAOYSA-N 387.567 3.828 0 40 GHAB CCc1cc(=O)oc2cc(OCc3nc(-c4ccccc4OC)no3)ccc12 8224016 KDXFEKPUYRNNBV-UHFFFAOYSA-N 378.384 3.993 0 40 GHAB COc1cc(CNn2cn[nH]c2=S)ccc1OCc1ccc(Cl)cc1 8471544 XCKOIDOQFHZREC-UHFFFAOYSA-N 376.869 3.925 0 40 GHAB CN1C(=O)CS[C@H]1c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 8861894 TUKLOFIYJDTHEZ-NRFANRHFSA-N 393.468 3.514 0 40 GHAB CSc1nnc(NC(=O)CSc2nc(C)c(C)n2-c2ccccc2)s1 9146312 LGMDAZSFRWKSOV-UHFFFAOYSA-N 391.547 3.793 0 40 GHAB COc1ccc(N2C[C@@H](c3nc(-c4cccc(C)c4)no3)CC2=O)c(OC)c1 9320895 NSQBDJRKBGNSDN-HNNXBMFYSA-N 379.416 3.583 0 40 GHAB Cc1ccc(CN(CCc2ccccc2)C(=O)Cn2c(C)csc2=O)s1 9337517 WRBQTPJMHYTHPG-UHFFFAOYSA-N 386.542 3.860 0 40 GHAB CCOC(=O)c1oc2ccccc2c1NC(=O)/C=C\c1ccc2c(c1)OCO2 9414391 LDQRUDUCFRDOAO-NTMALXAHSA-N 379.368 3.990 0 40 GHAB Cc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1Cc1cccnc1 9422154 VZQALNRUPFWVAO-UHFFFAOYSA-N 392.484 3.609 0 40 GHAB c1ccc(-n2nnnc2CSc2nnc(Cc3cccs3)n2C2CC2)cc1 9583072 QYYNGGGLAUPYFJ-UHFFFAOYSA-N 395.517 3.533 0 40 GHAB CCOC(=O)c1c(C)nc2nc(SCc3cccc(Cl)c3)nn2c1C 9926426 WOLLSGHIMOMRAN-UHFFFAOYSA-N 376.869 3.864 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@H](C(=O)Nc2ccc(F)c(Cl)c2)CC(=O)N3)cc1 10153411 NGXMSKGRHRYUTQ-HNNXBMFYSA-N 399.813 3.568 0 40 GHAB CCn1ccnc1N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 11027475 WZICDAQMUREFHH-UHFFFAOYSA-N 386.927 3.717 0 40 GHAB COc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCC2)cc1 11905198 HPEGXYLBGYOZSB-NRFANRHFSA-N 391.471 3.917 0 40 GHAB CCn1cc(CN(C)C(=O)CCn2c(C(F)(F)F)cc3cccnc32)c(C)n1 12222303 LEFGENVCTUJWAQ-UHFFFAOYSA-N 393.413 3.629 0 40 GHAB COc1ccccc1[C@]1(O)CCCN(C(=O)c2cccc3c(C)c(C)[nH]c23)C1 12290465 ZFXYOHMOMYOEKO-QHCPKHFHSA-N 378.472 3.917 0 40 GHAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCCN1C(=O)C1CC1 12337998 WPOCUQFRPHGMJN-CQSZACIVSA-N 378.394 3.730 0 40 GHAB COc1ccccc1C1(O)CCN(Cc2cnn(-c3ccc(C)cc3)c2)CC1 12344554 ZCGNZFWLWSSODI-UHFFFAOYSA-N 377.488 3.673 0 40 GHAB Cc1ccc([C@H](C)C(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 12406968 HDVLIIDIBNEQBC-HOCLYGCPSA-N 399.445 3.880 0 40 GHAB O=C(c1ccccc1OCc1cccc(Br)c1)N1CCOCC1 12765612 CORNRZHRAJYWJL-UHFFFAOYSA-N 376.250 3.501 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)Nc2nc(-c3ccccc3)cs2)CC1=O 12778588 GJPLVWMIWNAMQG-OAHLLOKOSA-N 393.468 3.810 0 40 GHAB O=C(Nc1ccnn1C1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 12783050 OCKQOPVCUBOVCY-UHFFFAOYSA-N 384.455 3.628 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NCc2ccccc2Cl)c1 12902394 QESYJOGHPHTBJI-IBGZPJMESA-N 388.895 3.811 0 40 GHAB CCn1c(SCc2csc(-c3cccs3)n2)nnc1N1CCOCC1 12986603 UUTRHVSZAWCRDE-UHFFFAOYSA-N 393.563 3.612 0 40 GHAB Cc1cccc(-n2[nH]c3ncc4c(c3c2=O)C[C@H](c2cccs2)CC4=O)c1 13611293 NRFNKVHPWJNNSE-ZDUSSCGKSA-N 375.453 3.996 0 40 GHAB CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(Cc2ccc(OC)cc2)C1 13729582 MLBYPWNRPVPXEJ-UHFFFAOYSA-N 380.448 3.629 0 40 GHAB Cc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 16750956 GJCUWTNNMLFWHK-OXQOHEQNSA-N 393.414 3.965 0 40 GHAB Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCc2cccc(C)c2)cc1 17041522 UAAZGGVRNFPEIG-UHFFFAOYSA-N 395.528 3.601 0 40 GHAB CSc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc3nsnc23)cc1 19077845 OTKSQFRGSVSLHM-JXMROGBWSA-N 385.470 3.608 0 40 GHAB Cc1cc(-c2nccs2)nc(C2CCN(C(=O)c3cccnc3C)CC2)n1 19118624 QWSZYGFDWJZHCU-UHFFFAOYSA-N 379.489 3.632 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3ccc(C)cc3)cc2)CCCN(C(=O)C2CC2)C1 19212337 KGRBRXPBVRAKNA-VWLOTQADSA-N 390.527 3.969 0 40 GHAB CN1CCCCC[C@@H]2N(C(=O)c3ccc(=O)n(C)c3)[C@H](c3ccccc3)C[C@@]21C 19713543 XGBYEXSXSBALOV-HFMPRLQTSA-N 393.531 3.606 0 40 GHAB C[C@]1(CNC(=O)CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CCCO1 19745368 YJBMDOPVBKFCII-HXUWFJFHSA-N 398.469 3.993 0 40 GHAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(CCc2ccncc2)CC1 20896978 AHTNQKVUYQCBCO-UHFFFAOYSA-N 385.511 3.600 0 40 GHAB Cc1cc(C)cc(-n2nnnc2SCc2cc(=O)oc3cc(C)ccc23)c1 21507615 VKTORJHXSZFBOZ-UHFFFAOYSA-N 378.457 3.986 0 40 GHAB COC(=O)C1=C(C(C)C)NC(C(C)C)=C(C(=O)OC)C1c1ccc(F)cc1 22058037 OMMWXFJGQQAQCG-UHFFFAOYSA-N 375.440 3.679 0 40 GHAB in-vitro Cc1ccc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1 22432259 WUVDGJKHJWMAAW-HXUWFJFHSA-N 388.533 3.665 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)NC[C@H](c1ccccc1)N(C)C 22877380 RFERKGOIPKPUBL-RDTXWAMCSA-N 375.900 3.568 0 40 GHAB C[C@H](OC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCC(F)(F)F 24268603 LFGTXDKTEDXSBR-VIFPVBQESA-N 375.730 3.824 0 40 GHAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3nnc4n3CCC4)o2)cc1 24444416 JFVGDDOEXPKFTG-UHFFFAOYSA-N 399.454 3.785 0 40 GHAB O=S(=O)(c1ccc(F)c(F)c1F)N1CCC[C@H](c2nc3ccccc3o2)C1 24683285 CQBCPBWQSNYQOP-NSHDSACASA-N 396.390 3.813 0 40 GHAB CN(Cc1ccccc1)c1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 25139246 HZSNNBPEPNUJOV-UHFFFAOYSA-N 394.544 3.649 0 40 GHAB O=C(NCCN1CCc2ccccc2C1)c1ccccc1C(=O)c1ccccc1 30318547 HDDHMUMRWBREMH-UHFFFAOYSA-N 384.479 3.706 0 40 GHAB C[C@@H]1CCc2sc(C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)cc2C1 30539770 JQFJVTHQRVORCJ-APWZRJJASA-N 384.545 3.676 0 40 GHAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)NC1CCN(Cc2ccccc2)CC1 31333858 HAXNMGMDGZCGJY-UHFFFAOYSA-N 398.375 3.705 0 40 GHAB Cc1c(-c2nn3c(Cc4c(Cl)cccc4Cl)nnc3s2)cnn1C 32089418 ZDCNUTSMRVXDDU-UHFFFAOYSA-N 379.276 3.792 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1F 32744463 KANBWPAZPKWESE-XBXARRHUSA-N 383.828 3.543 0 40 GHAB Cc1ccc(CCC2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)cc1 32857584 FGYLMUBICDWTJZ-UHFFFAOYSA-N 378.472 3.774 0 40 GHAB Cc1ccc(C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 36384035 UOUIXTOYOLMRHJ-IEZWGBDMSA-N 392.565 3.724 0 40 GHAB FC(F)(F)c1cnc(N2CCN(Cc3cn4ccccc4n3)CC2)c(Cl)c1 36395700 CDRBLOXNYPZJRF-UHFFFAOYSA-N 395.816 3.724 0 40 GHAB C[C@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)N(C)c1ccccc1 40108900 ZOUFQQFBZODBNB-GOSISDBHSA-N 375.472 3.915 0 40 GHAB O=S(=O)(c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1)C(F)F 43272657 JOLNAOOUYSDYCN-INIZCTEOSA-N 395.427 3.796 0 40 GHAB O=C(Nc1nc(CN2CCCCC2)cs1)[C@H]1Cc2cc(Cl)ccc2O1 48333722 OXZYKLVFFNHROZ-MRXNPFEDSA-N 377.897 3.725 0 40 GHAB COc1cc(CNC(=O)[C@H]2COc3ccccc3C2)ccc1OC1CCCC1 48344398 URPDLJLHEBLIBJ-GOSISDBHSA-N 381.472 3.884 0 40 GHAB Cc1noc(C)c1COc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1 49936145 QTZYBYPMRLRHBQ-UHFFFAOYSA-N 376.416 3.677 0 40 GHAB CC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2cc(Cl)ccc2C)CC1 57669651 BCVQJQQTPWRCME-MRXNPFEDSA-N 376.936 3.663 0 40 GHAB COc1ccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cn1 58113260 YBLMFYRJLYZEDS-ZDUSSCGKSA-N 397.378 3.551 0 40 GHAB CCOC(=O)[C@@H](c1ccc(F)c(F)c1)N(C)Cc1nnc(-c2ccccc2)o1 58217477 NUUGFUYWRVWTNM-GOSISDBHSA-N 387.386 3.751 0 40 GHAB O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1nc2c(s1)C(=O)CCC2 58218273 WKKHTJNMPQXKKK-UHFFFAOYSA-N 393.468 3.574 0 40 GHAB O=C(Nc1ccc(F)cc1Cl)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 59254345 XARUAUUDTCZRTB-UHFFFAOYSA-N 377.778 3.735 0 40 GHAB C[C@@H](NC(=O)CN(C)Cc1csc(Br)c1)c1ccc(F)cc1 60040776 MAKVNSXZVBTQMU-LLVKDONJSA-N 385.302 3.959 0 40 GHAB CN(C)c1cccc(CNC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 60277444 VTFYYNFFFURFME-UHFFFAOYSA-N 388.393 3.887 0 40 GHAB Cc1cc(C)c2cc(C(=O)OCC(=O)N3CCC[C@H](C(F)(F)F)C3)[nH]c2c1 61099117 RZYIZPDTKVNZMN-ZDUSSCGKSA-N 382.382 3.742 0 40 GHAB CS(=O)(=O)N1CCCc2cc(-c3csc(NCC4CCC4)n3)ccc21 63630316 FASDUYBJMBHYPP-UHFFFAOYSA-N 377.535 3.734 0 40 GHAB Cc1ccc(-n2nc(-c3nc(-c4ccncc4)no3)c3ccccc3c2=O)cc1 64949626 FFHIJXQLPLIBHI-UHFFFAOYSA-N 381.395 3.806 0 40 GHAB Cc1cc(-n2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)nn2)ccc1F 67262002 ZEMCNXPXQFCLER-UHFFFAOYSA-N 378.329 3.664 0 40 GHAB Cc1cccc(C)c1NC(=O)C[S@@](=O)Cc1cc(Cl)c2c(c1)OCCO2 71801109 GWQPHVPQHLWHIB-AREMUKBSSA-N 393.892 3.615 0 40 GHAB CCOc1ccccc1C(=O)OCC(=O)NCc1ccccc1C(F)(F)F 72333889 WJEBOANQIHXLOV-UHFFFAOYSA-N 381.350 3.577 0 40 GHAB CCc1cc(-c2cc(NC[C@@H](c3ccc(C)cc3)N(C)C)nc(C)n2)n(C)n1 72373248 CECXBWDOXQRZQR-NRFANRHFSA-N 378.524 3.771 0 40 GHAB Cn1cc(C(=O)N2CCC(c3cccc(Oc4ccccc4)n3)CC2)ccc1=O 72384323 BXADZDJWPFAICP-UHFFFAOYSA-N 389.455 3.592 0 40 GHAB CCOc1ccccc1NC(=O)[C@H](C)N1CC(OCCCOc2ccccc2)C1 84811024 VGJZWCVHPGULRH-SFHVURJKSA-N 398.503 3.582 0 40 GHAB CCc1nc(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)nn1-c1ccccc1Cl 95449018 MUTPXOPMMYCQTL-BBRMVZONSA-N 390.915 3.807 0 40 GHAB CN1CCN(c2ccccc2NC(=O)N2CC=C(c3ccc(F)cc3)C2)CC1 95455381 WLGQDNAJLCOCLD-UHFFFAOYSA-N 380.467 3.509 0 40 GHAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCO[C@H](CCc2ccccc2)C1 96014008 XBEBADMFLGRHJH-QGZVFWFLSA-N 387.863 3.585 0 40 GHAB COc1ccccc1NC(=S)N1[C@H]2CCC[C@H]1CC(NC(=O)C(C)(C)C)C2 100426981 NOODTIOFATXPEJ-HOTGVXAUSA-N 389.565 3.940 0 40 GHAB CCn1cc(C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c(=O)c2cc3c(cc21)OCO3 101498335 IYQWNOUHOQAQKE-LFVRLGFBSA-N 396.487 3.791 0 40 GHAB CC(=O)c1ccc(N2C(=O)C[C@@H](Nc3cccc(C(F)(F)F)c3)C2=O)cc1 102348277 DBGFJQCPMJKEQH-MRXNPFEDSA-N 376.334 3.652 0 40 GHAB Oc1cccc2c1C[C@H]1C[C@H]2CN(c2nc(Cl)nc(NCc3ccco3)n2)C1 107128017 JMLWAERRALDFML-OLZOCXBDSA-N 397.866 3.602 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1 113958189 SHLOFOXLRGLSAC-QGZVFWFLSA-N 386.517 3.579 0 40 GHAB Cc1ccc(N(CCCC(=O)N(C)C2CCCCC2)S(C)(=O)=O)cc1C 216429164 ODYDCJVJASVJDJ-UHFFFAOYSA-N 380.554 3.641 0 40 GHAB CC(C)Oc1cccc(CNC(=O)COc2ccc(Br)cc2)c1 218815218 VPSZEHWKVUYYQU-UHFFFAOYSA-N 378.266 3.932 0 40 GHAB Cc1ccccc1OCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 222626700 FNBYBHPMWVAFRM-SFHVURJKSA-N 382.504 3.706 0 40 GHAB COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COCc1ccccc1 224353516 AUXGKHRGKNVYFS-UHFFFAOYSA-N 390.439 3.763 0 40 GHAB CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(SC)cc3)ccc21 225092355 BFTUBPQDWHTDBP-UHFFFAOYSA-N 380.516 3.606 0 40 GHAB COC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccccc2OC)c1C 225786737 FFWWZNHAODXJLG-ZDUSSCGKSA-N 388.489 3.544 0 40 GHAB Cc1cccc(-c2noc(CNC(=O)COc3cccc4c3CCCC4)n2)c1 225792943 KLWVUIYLYITDDM-UHFFFAOYSA-N 377.444 3.619 0 40 GHAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](C(=O)N[C@@H](C)c4ccncc4)[C@H]31)O2 248337220 PNVBLKVSKMUJPI-UHLYOOPGSA-N 376.456 3.627 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)nc(N)n1 257205380 AYTUEMZWBUIANZ-QGZVFWFLSA-N 397.866 3.577 0 40 GHAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1)c1cccc(F)c1F 257211259 BYEBUENJGJOMIN-JOCQHMNTSA-N 399.401 3.509 0 40 GHAB O=C(O)COc1ccc(CN2C[C@H]3[C@@H](Oc4cccc(F)c4)CC[C@H]3C2)cc1 257301614 RZDHXFCWVXDYFU-DQLDELGASA-N 385.435 3.579 0 40 GHAB COc1ccc(C2(C(=O)N3CCC[C@H]3CCc3ccncc3)CCOCC2)cc1 257319557 VTAMCGUJUPFQLR-NRFANRHFSA-N 394.515 3.762 0 40 GHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)ccc21 260803071 ZZDOIDSQCBRPTM-CYBMUJFWSA-N 388.514 3.784 0 40 GHAB CN1C(=O)S/C(=C\c2cc(Br)c(O)c(Br)c2)C1=O 408820263 WIVNZBZKSBNZDL-YWEYNIOJSA-N 393.056 3.583 0 40 GHAB Cn1c(CO)nc2cc(NC(=O)CC3(Cn4cccc4)CCCCC3)ccc21 524734795 PFBHRXWEAVTGHT-UHFFFAOYSA-N 380.492 3.846 0 40 GHAB COc1cccc(C2(CNC(=O)N3CC[C@H](n4cc(C)cn4)C3)CCCC2)c1 564614484 SQGLNLAHCVJULW-IBGZPJMESA-N 382.508 3.669 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@H](Oc2ccncc2Cl)C1 575610305 HSIFBBGDDDAZFL-ZDUSSCGKSA-N 388.880 3.584 0 40 GHAB Cn1cc(-c2ncccc2CNC(=O)c2ccc(Oc3nccs3)cc2)cn1 575617466 CCSXZOSDKLFHJV-UHFFFAOYSA-N 391.456 3.661 0 40 GHAB COCC(=O)Nc1ccc(-c2noc(CSc3nc4ccccc4o3)n2)cc1 575844322 XKYWZXBWXYWTTE-UHFFFAOYSA-N 396.428 3.755 0 40 GHAB COc1ccc(CN2CC3(CCC2=O)CCN(C(=O)c2ccccc2)CC3)cc1 585102009 WQTCTHBKDZIPMA-UHFFFAOYSA-N 392.499 3.740 0 40 GHAB COc1ccc(Cl)c2c1N(C(=O)[C@H]1CC(=O)Nc3cc(F)ccc31)CCC2 590249529 GNYMPKHIDBMGHR-AWEZNQCLSA-N 388.826 3.893 0 40 GHAB O=S(=O)(CCc1cc(Cl)c2c(c1)OCCCO2)C[C@@H]1CC[C@H]2C[C@H]2C1 621996237 PSHMKGPQUNMAJB-OWCLPIDISA-N 384.925 3.895 0 40 GHAB CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2cn3c(n2)COCC3)cc1 625528384 LMYJDTKRCFVKLF-QFIPXVFZSA-N 390.487 3.622 0 40 GHAB O=C(O)c1ccc(CN2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1Cl 629377223 GVCKXLHTCZMBMV-UHFFFAOYSA-N 383.879 3.837 0 40 GHAB CCN1CCN(C2CCCC2)CCOc2ccccc2Oc2ncccc2C1=O 643571603 FZIUMDJXDQEQCI-UHFFFAOYSA-N 395.503 3.973 0 40 GHAB CC(C)(C)OC(=O)N[C](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 1560407440 CUZFHVOYYOFFBR-SFTDATJTSA-N 383.512 3.607 0 40 GHAB CN(C)c1ccc(NC(=O)C(=O)NCCc2ccc(-c3cccs3)s2)cc1 1889237985 SSEZKEWTQLZKJU-UHFFFAOYSA-N 399.541 3.840 0 40 GHAB COc1ccc(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2Br)cc1 668028 GLYJELLAALRDMJ-LLVKDONJSA-N 394.265 3.966 0 40 GHAB COc1cccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1OC 785803 ZPSMNWXWPWZIQG-UHFFFAOYSA-N 382.504 3.574 0 40 GHAB COc1cc(F)ccc1S(=O)(=O)NCCc1c(C)[nH]c2c(Cl)cccc12 1424311 BBCLZOSHMOEZLV-UHFFFAOYSA-N 396.871 3.798 0 40 GHAB O[C@H](SCCS[C@@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1733393 OZOHNCXPOOYEJV-QWWZWVQMSA-N 388.980 3.830 0 40 GHAB CC(C)(C)C(=O)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 2728304 ZLYHDVQWQWSGRN-UHFFFAOYSA-N 387.896 3.933 0 40 GHAB Cc1ccc(OCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1C 3257244 YQMNAJJPDFOEQK-UHFFFAOYSA-N 383.231 3.566 0 40 GHAB CCC(=O)N1N=C(c2cccc(NS(=O)(=O)CC)c2)C[C@@H]1c1cccs1 4148361 JUSIKMCTIDKGQN-MRXNPFEDSA-N 391.518 3.597 0 40 GHAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2)c1ccc(Cl)cc1 4224796 DWNOEOATUAIKFM-AREMUKBSSA-N 389.839 3.679 0 40 GHAB O=C(Cc1ccc(Cl)cc1)Oc1coc(CSc2ncccn2)cc1=O 4377346 ODUZNNRVNCCOGH-UHFFFAOYSA-N 388.832 3.524 0 40 GHAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)c4ccc(Cl)cc4)cnc32)c(C)c1 4479322 SMGDFWSFPIUCPI-UHFFFAOYSA-N 392.846 3.735 0 40 GHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1 4585811 CVQPACZOLGRORB-UHFFFAOYSA-N 378.500 3.918 0 40 GHAB COc1ccc2[nH]cc(CCNc3nnc(-c4ccc(Cl)cc4)c(=O)[nH]3)c2c1 4818445 OJMLOUOYTBESCD-UHFFFAOYSA-N 395.850 3.630 0 40 GHAB CCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccoc1C 4860539 NJRFFGXFMGIYED-UHFFFAOYSA-N 386.477 3.996 0 40 GHAB COc1ccc(-c2noc(CN(C(=O)c3ccccc3)C(C)C)n2)cc1OC 4943464 YXIGNLJFLBLXSD-UHFFFAOYSA-N 381.432 3.805 0 40 GHAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 4944445 DCKINEDVWJNDLM-JTQLQIEISA-N 383.395 3.765 0 40 GHAB COc1ccc(CNS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 5120632 HDGOMUHCHQKJOT-UHFFFAOYSA-N 377.506 3.788 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Sc2nc(C)c(C)n2CC(C)C)cc1 5262868 IPVWILKGMUDEFM-INIZCTEOSA-N 375.538 3.962 0 40 GHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 6337169 QDNMURDIHYMPNA-KRWDZBQOSA-N 386.517 3.742 0 40 GHAB Cc1nc(C)c(C(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)s1 6366853 SANKUMCEEREKDE-GZXIDGMPSA-N 376.522 3.638 0 40 GHAB O=c1[nH]c(-c2cc(Br)c(O)c(Br)c2)nc2ccccc12 6610130 VDNSGMVOMRXZCR-UHFFFAOYSA-N 396.038 3.821 0 40 GHAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(OC)c(Cl)c3)n2)cc1 6747766 GEKVPWMQOAJUCO-UHFFFAOYSA-N 399.834 3.546 0 40 GHAB CCc1ccc(NC(=O)[C@@H]2Sc3nnc(CC)n3N[C@@H]2c2ccccc2)cc1 6811831 IRHJTHCDSAUXGE-RTBURBONSA-N 393.516 3.801 0 40 GHAB O=c1c2nccnc2nc(SCc2ccccc2F)n1Cc1ccccc1 6818532 HUURBKPGEJGTMS-UHFFFAOYSA-N 378.432 3.666 0 40 GHAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 7262252 XWYLXZOYUNBSKV-UHFFFAOYSA-N 390.505 3.758 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)c(F)c1 7306758 OMSBCJYYPBOBSU-SECBINFHSA-N 376.222 3.767 0 40 GHAB CCc1nnc(S/C(=C\c2cc(Br)ccc2OC)C(=O)O)o1 7508293 KGXXDDRSTIIXRB-XFFZJAGNSA-N 385.239 3.621 0 40 GHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 7593450 VDHSVNGFLSTPCO-SNVBAGLBSA-N 384.766 3.522 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)c1cn(-c2ccccc2)nc1-c1cccnc1 7598069 DPJLPKLSKQIRPR-UHFFFAOYSA-N 384.395 3.915 0 40 GHAB Cn1nc(C(=O)N[C@@H](c2ccccc2)c2cccs2)c2ccccc2c1=O 7739192 ONOWGWJPFDFOHB-SFHVURJKSA-N 375.453 3.514 0 40 GHAB Cc1ccn2c(=O)cc(CSc3nnc(C4CC4)n3-c3ccccc3)nc2c1 8027206 AFRGTBDTAYGXNA-UHFFFAOYSA-N 389.484 3.753 0 40 GHAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCC[C@@H](C)C4)c(=O)c23)s1 8132187 IZKGVSFJILDWDK-GFCCVEGCSA-N 387.530 3.753 0 40 GHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 8782325 SUGLHKPOQPIIHC-QGZVFWFLSA-N 393.487 3.517 0 40 GHAB COc1cccc(OCC(=O)NC[C@H](c2ccsc2)N2CCCCCC2)c1 8863204 KZTVPQKYBWUWMW-HXUWFJFHSA-N 388.533 3.869 0 40 GHAB CCOc1ccc(OCCCC(=O)NCc2ccccc2Cn2cccn2)cc1 10542817 KDVKWYWGWOJASF-UHFFFAOYSA-N 393.487 3.806 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 10784954 AAKYSCHGHSZTLD-AWEZNQCLSA-N 384.910 3.583 0 40 GHAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC(CCc3ccccc3)CC2)c1 11453422 XHMILSOEGBWDFB-UHFFFAOYSA-N 378.516 3.905 0 40 GHAB COCCCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 12419173 OSHYWWPQHPMTSN-UHFFFAOYSA-N 386.473 3.931 0 40 GHAB CCCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1cc(C)nc2ccccc12 12667717 DHYQCAZFZGKCPJ-OAHLLOKOSA-N 394.500 3.728 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3F)c12 12789206 OZIBARKFYSSXIL-NSHDSACASA-N 383.379 3.732 0 40 GHAB Cc1ccc(-c2nc(C(=O)Nn3cnc4ccc(Cl)cc4c3=O)cs2)cc1 12814085 UEXMCBDEFNIRDE-UHFFFAOYSA-N 396.859 3.866 0 40 GHAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H]2CCCO2)c1 12912143 JFVOHUBUDFAWFX-HXUWFJFHSA-N 391.471 3.516 0 40 GHAB COc1ccc(CN(C)[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)c(OC)c1 12913639 JIFVCUGVGYZGDC-NRFANRHFSA-N 395.459 3.812 0 40 GHAB COc1ccccc1CNC(=O)[C@@H](C)OC(=O)/C=C/c1cccc2cccnc12 12971392 BXHZBUJWJOIELS-CJTWTEFWSA-N 390.439 3.505 0 40 GHAB CCOc1cc(/C=C2\NC(=O)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 15012921 PKACNPOIXRYCTD-NVNXTCNLSA-N 390.798 3.637 0 40 GHAB Cc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)c3ccccc3)n2)cc1 15675786 NARZPYAVOFDOIV-IBGZPJMESA-N 385.427 3.708 0 40 GHAB biogenic,in-vitro Cc1ccccc1CN(C)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 16343929 YYHLELJWHOSZTD-NRFANRHFSA-N 394.515 3.952 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)NCc3ccc(Cl)cc3Cl)cnc12 16467173 YDLQSLHUBDRZCD-UHFFFAOYSA-N 390.270 3.718 0 40 GHAB NC(=O)c1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 16806817 KOPYRLHNRWBYBB-UHFFFAOYSA-N 376.441 3.919 0 40 GHAB CC1=C(C)C[C@H]2C(=O)N(c3ccc(I)cc3C)C(=O)[C@@H]2C1 18212067 QHYIXOSSJDJVMH-ZIAGYGMSSA-N 395.240 3.835 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)Cc2ccccc2F)on1 19122396 DRKIMHYZRQYINK-SFHVURJKSA-N 380.423 3.794 0 40 GHAB Cc1cnc2[nH]c(-c3cccs3)c(CN3CCC(N4CCOCC4)CC3)c2c1 19124955 KLCBQINPOKJCHO-UHFFFAOYSA-N 396.560 3.896 0 40 GHAB Clc1cc2c(cc1CN1CCO[C@H](c3nc(-c4ccccc4)no3)C1)OCO2 19374355 OJZUSGXPAPEHRY-SFHVURJKSA-N 399.834 3.692 0 40 GHAB COc1ccc(OC)c(C(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2)c1 19551056 NWOROQWCRRMCSR-LJQANCHMSA-N 392.459 3.856 0 40 GHAB CC(C)c1ncc(CN2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)cn1 19712821 MFTCQEWPGDAJPN-VWPQPMDRSA-N 396.510 3.766 0 40 GHAB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccco2)n2c1nc1ccccc12 20675599 PXBJXMZWWRNUAJ-RTBURBONSA-N 395.459 3.935 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)c(OC)c1 20734868 ATVVDPJJCZHPOR-KRWDZBQOSA-N 392.415 3.739 0 40 GHAB CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)N4CCCC4)[nH]c(=O)c23)C1 21882609 GDFNTIISNYNTJY-ZDUSSCGKSA-N 387.549 3.691 0 40 GHAB O=C(CN1CCCN(Cc2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 22357153 VQZLVDZBFUVLLC-UHFFFAOYSA-N 375.875 3.626 0 40 GHAB O=C(Nc1cccnc1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 23143226 GUHWHUYYMHBPDS-UHFFFAOYSA-N 377.423 3.533 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(Cl)c2c(c1)OCCCO2 24382683 VBXODPLMMLFCGS-UHFFFAOYSA-N 375.808 3.502 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)NCc1ccc(CN2CCCCC2)cc1 24971228 VIQKFSGNOOMCEQ-UHFFFAOYSA-N 394.563 3.734 0 40 GHAB CON(C)Cn1nc(-c2cc(-c3ccccn3)nc3ccccc23)oc1=S 24974274 XSLARXPUGICOOT-UHFFFAOYSA-N 379.445 3.933 0 40 GHAB Cc1cc(C)n2ncc(C(=O)N3CCN([C@@H](C)c4ccccc4Cl)CC3)c2n1 30250901 DIBQIWUTJKRNPS-INIZCTEOSA-N 397.910 3.519 0 40 GHAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1n[nH]c(-c2ccccc2)n1 30686385 LGGGTXWPQYDRMW-UHFFFAOYSA-N 387.399 3.677 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 31813047 UZXOEZWWYHJUOY-VIFPVBQESA-N 397.287 3.714 0 40 GHAB Cc1c(C(=O)Nc2ccccc2SC(F)F)sc2ncn(C)c(=O)c12 32768601 VNDBMOFLQPIGIM-UHFFFAOYSA-N 381.429 3.870 0 40 GHAB Cc1cc(-c2cc(C(=O)O[C@H]3C[C@@H](C)OC3=O)c3cnn(C(C)C)c3n2)c(C)o1 32883695 OQLFPCDMVGDAJK-XIKOKIGWSA-N 397.431 3.750 0 40 GHAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)C1=Cc2cc(Cl)ccc2OC1 32901557 MENLDVKFYFYECN-UHFFFAOYSA-N 396.874 3.668 0 40 GHAB CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cccc2ncccc12 32902586 RZOXIDMAUIXOMH-HXUWFJFHSA-N 394.450 3.836 0 40 GHAB O=C(CCNC(=O)c1ccco1)O[C@H](C(=O)c1ccccc1)c1ccccc1 32957552 BBQBWGUMBQTPJT-NRFANRHFSA-N 377.396 3.567 0 40 GHAB COc1ccc(NC(=O)c2sc(N(C(C)=O)C3CC3)nc2C)cc1Cl 36358319 FPQWYRGYPWDVPX-UHFFFAOYSA-N 379.869 3.881 0 40 GHAB COC(=O)[C@H](CCSC)NC(=O)c1cc2ccccc2n1Cc1ccccc1 36358885 SSKMZXCYCIHGCO-SFHVURJKSA-N 396.512 3.714 0 40 GHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCCC[C@@H]2C)c(OC)c1 36397790 AKUFQBOBSQPHMT-SFHVURJKSA-N 396.531 3.937 0 40 GHAB CCn1nc(C)c2c(C(=O)Nc3ccc(-n4cncn4)c(Cl)c3)cc(C)nc21 36616993 KMTDUWFWZFHJDO-UHFFFAOYSA-N 395.854 3.554 0 40 GHAB COc1ccccc1[C@H](O)CNC(=O)Nc1ccc(OC(F)F)c(Cl)c1 40103220 IAVOHHOIFCYHRK-CYBMUJFWSA-N 386.782 3.805 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O)cc1Br 41091692 QFHWWRGUCFXDJJ-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB CCc1ccc(-c2ccc(=O)n(CCC(=O)NCCCc3ccccc3)n2)cc1 41254010 OZUYMCCXEBSCCP-UHFFFAOYSA-N 389.499 3.612 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cccc(Cl)c3)n2)cc1C 41254971 CRELJXYKYZRLOC-UHFFFAOYSA-N 395.890 3.887 0 40 GHAB COCCn1c(S[C@@H](C)C(=O)NCc2ccco2)nc2cc(Cl)ccc21 43940432 FUMAQGAWOHGHFP-LBPRGKRZSA-N 393.896 3.726 0 40 GHAB Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 45748024 UPAZKAOQAFHRAU-ZDUSSCGKSA-N 377.213 3.961 0 40 GHAB Cc1ccc2nc(COC(=O)[C@@H](C)Oc3ccc(C(C)C)c(C)c3)cc(=O)n2c1 48354390 MSJDVGVXTSYAPK-QGZVFWFLSA-N 394.471 3.945 0 40 GHAB O=S(=O)(c1ccc(Br)s1)N(Cc1ccsc1)C1CC1 48798293 AVYPFBQRGHKMJV-UHFFFAOYSA-N 378.338 3.925 0 40 GHAB CC(=O)Nc1ccc(CC(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)cc1 49574798 AGPNQJAFFRYNFV-HXUWFJFHSA-N 378.476 3.967 0 40 GHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cc1csc(-c2ncccn2)n1 54134356 IXUVXVUTBSARIF-UHFFFAOYSA-N 382.533 3.817 0 40 GHAB O=C(Nc1cccnc1N1CCOCC1)N[C@H](c1ccc(Cl)cc1)C1CC1 54480940 ZDDSZBDGRYWDFU-SFHVURJKSA-N 386.883 3.844 0 40 GHAB CCOc1ccccc1N1CCN(CC(=O)Nc2cccc3ccccc23)CC1 57577228 GMOALRROAOFYNB-UHFFFAOYSA-N 389.499 3.999 0 40 GHAB CCOC(=O)C1CCN(c2c(C)c(C)nc3cc(-c4cccs4)nn23)CC1 57709679 ROHNTGUVZZZPIE-UHFFFAOYSA-N 384.505 3.854 0 40 GHAB O[C@H](COCc1ccc(Cl)cc1)CSc1nc(-c2ccccc2)n[nH]1 58061460 UVYFXGDPHFQUAU-MRXNPFEDSA-N 375.881 3.795 0 40 GHAB COc1cc([C@H](C)NC(=O)c2cnc3[nH]nc(C)c3c2)ccc1OCC(C)C 58120824 OINJNEVMOOPOCV-ZDUSSCGKSA-N 382.464 3.801 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(Sc2nncs2)cc1 58406751 XGANJJZYVXKMDD-UHFFFAOYSA-N 394.481 3.755 0 40 GHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(I)cc1)C2=O 59475091 VYWFFKXFANLOLY-BLLLJJGKSA-N 383.229 3.607 0 40 GHAB CCN(C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C(C)C)c1ccccc1 67235902 GKEDOWVITIEAAQ-UHFFFAOYSA-N 384.505 3.759 0 40 GHAB COc1ccc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1F 69486503 IGWJROHBHWBOIE-UHFFFAOYSA-N 385.435 3.700 0 40 GHAB COc1ccccc1CN1CCC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 72398550 AOBDGEUISKTNJI-UGKGYDQZSA-N 379.504 3.570 0 40 GHAB CSc1nc(NC2CC2)cc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1 79439056 AZFYJGIWSVCDCL-UHFFFAOYSA-N 379.530 3.584 0 40 GHAB Cc1nc(-c2ccco2)sc1CNS(=O)(=O)c1ccc(F)c(Cl)c1 90593521 DWVDOTGCPJACGC-UHFFFAOYSA-N 386.857 3.983 0 40 GHAB Cc1nc(CNC(=O)OC(C)(C)C)ccc1C(=O)NC[C@@H](C)Oc1ccccc1 95453384 AKICNWRIDNXUMA-OAHLLOKOSA-N 399.491 3.612 0 40 GHAB CSCC[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)O 95997730 KVCLLILBXUCAHJ-LJQANCHMSA-N 399.491 3.974 0 40 GHAB CCc1cnc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)s1 96011679 ZVMJAUPQXXKPRW-UHFFFAOYSA-N 391.294 3.965 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 96251300 ABDYPQRXTCMFPI-LJQANCHMSA-N 395.459 3.870 0 40 GHAB COc1cc(OC)cc(C2=N/C(=C/c3ccc(OC(F)F)cc3)C(=O)O2)c1 96635130 YHXMIDRHLHTOEH-FRKPEAEDSA-N 375.327 3.650 0 40 GHAB COc1ccc(/C=C2/N=C(c3ccc(F)cc3F)OC2=O)cc1OC(F)F 96892193 GZNNQGHAPRAHBP-AWNIVKPZSA-N 381.281 3.919 0 40 GHAB Cc1ccc(CC(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C)nn43)CC2)cc1 100159364 YWIRONLCZDHWCZ-BGYRXZFFSA-N 376.504 3.979 0 40 GHAB CC1(C)C[C@@H]2C[C@](C)(CN2[C@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)C1 101641359 WYDWXCJGDBTDEX-LNHNDHHWSA-N 384.476 3.752 0 40 GHAB O=C(Oc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1 104279167 MSTZUYFPDXIAEF-LJQANCHMSA-N 386.407 3.650 0 40 GHAB Cc1cc(C(=O)OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1Cc1ccco1 105888660 KCFHBMMZLPQBBC-TXJVSEOTSA-N 398.503 3.844 0 40 GHAB CCc1cccc(C)c1N1C(=O)C[C@@H](SC(=S)N2CCCCC2)C1=O 113561859 REKRIRICDWJSSQ-OAHLLOKOSA-N 376.547 3.693 0 40 GHAB Cc1ccc(N2CCC(C(=O)NCc3nc(-c4ccccc4)no3)CC2)cc1 219865849 WZCWMMOBCGPACP-UHFFFAOYSA-N 376.460 3.578 0 40 GHAB CSc1cccc(N(CC(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)c1 220063776 JCMIRMHWHOWBGP-UHFFFAOYSA-N 398.937 3.775 0 40 GHAB CC[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(C)cc1 222589123 SUFDKJLMZBLSFE-HXUWFJFHSA-N 386.517 3.806 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1 222634281 FWVGDVCJIMAPKV-CYBMUJFWSA-N 395.286 3.536 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 223020112 IMBCFZZXAJDGTJ-WOJBJXKFSA-N 396.491 3.630 0 40 GHAB CCOC(=O)c1cccc(NS(=O)(=O)c2c(C)cc(OC)cc2C)c1C 223471737 CJUGNJLWMDNVEQ-UHFFFAOYSA-N 377.462 3.598 0 40 GHAB COc1ccccc1OCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 224481128 DNNIOEPRCFUAPP-UHFFFAOYSA-N 399.468 3.845 0 40 GHAB COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(-n3ccnc3C)cc2)c1 225457290 WSOPLRWTFYMWOK-UHFFFAOYSA-N 394.500 3.762 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(-c2ccccc2)s1 225614657 GJXQTIQWCYPKSI-UHFFFAOYSA-N 381.866 3.668 0 40 GHAB O=C(c1ccccc1Br)N1CC[C@H](N2CCc3ccccc3C2)C1 238907194 RXTIGKLAJXZYQR-KRWDZBQOSA-N 385.305 3.722 0 40 GHAB O=C(c1ccsc1)N1CCC2(CC1)OCC[C@@H]2CCOc1ncccc1F 247886105 XBVKWYPZVGPVQJ-INIZCTEOSA-N 390.480 3.763 0 40 GHAB COc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H](C)Nc2ncnn21 247976115 VFSIWQINXIDRHZ-JBBXEZCESA-N 397.866 3.598 0 40 GHAB O=C(Cc1cccc2ccccc12)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390830580 LYUSSOJWSLOKIM-JOCHJYFZSA-N 393.508 3.771 0 40 GHAB NC(=O)COc1ccc(Br)cc1CNc1ccc(F)c(Cl)c1 408612368 VPEZRCNPIIIEFY-UHFFFAOYSA-N 387.636 3.718 0 40 GHAB O=C(COc1ccccc1)NC(=S)Nc1ccc(Br)cc1Cl 408628563 UVKHQSHJRHSDPW-UHFFFAOYSA-N 399.697 3.995 0 40 GHAB COCCNC(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408979709 RSWZYNFWTVUGOP-UHFFFAOYSA-N 392.488 3.553 0 40 GHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3CC)C2=O)cc1 409083493 AZTKKMQIPIEZEN-SFQUDFHCSA-N 399.472 3.582 0 40 GHAB C[C@H](Cc1ccccc1Cl)c1nc(-c2cc(N3CCN(C)CC3)ccn2)no1 547215507 NEEGVZVMAWQRSG-OAHLLOKOSA-N 397.910 3.883 0 40 GHAB COc1cccc2sc(N3CCN(c4nc5cnccc5s4)CC3)nc12 1888930678 GILJYUWSBCEUEE-UHFFFAOYSA-N 383.502 3.636 0 40 GHAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3c(F)cccc3F)C2)cc1C 2037913040 MGGJBGCIPNQIGF-OAQYLSRUSA-N 375.415 3.628 0 40 GHAB COc1cc(C[C@H](SC)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 2362803894 JWJMATYKMKRADH-GOSISDBHSA-N 396.530 3.726 0 40 GHAB Cc1nc2nc(=S)[nH]n2c(C)c1CCC(=O)NCC12CC3CC(CC(C3)C1)C2 9057918 BVPFPDYECFDTHJ-UHFFFAOYSA-N 399.564 3.669 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3cccc(C)c3)cc2c1 884840 XVRCUWDYPUFDDU-UHFFFAOYSA-N 395.528 3.590 0 40 GHAB CCOC(=O)[C@H](Cc1cccc(C)c1)Sc1nc2c3ccccc3ncn2n1 12599854 LECSOCGNSBGKJD-SFHVURJKSA-N 392.484 3.852 0 40 GHAB Cc1nc(Nc2cccc([C@@H](C)O)c2)c2nnn(Cc3ccccc3F)c2n1 1351264 WTSHBLKPVMMQKX-GFCCVEGCSA-N 378.411 3.514 0 40 GHAB CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 79055058 DNBAHKMUKCHSLF-HZPDHXFCSA-N 390.480 3.870 0 40 GHAB COc1cccc(-n2ccnc2SCC(=O)Nc2cc(OC)ccc2OC)c1 2723151 MBGUHKRUXYWWPI-UHFFFAOYSA-N 399.472 3.629 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(F)cc12 1074513 WKUKIACTZOYWKT-UHFFFAOYSA-N 390.480 3.762 0 40 GHAB biogenic,in-vitro COc1cc(N[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1N1CCCC1=O 105560869 SXILVKWJILVWJV-LISAXSMJSA-N 387.524 3.563 0 40 GHAB CC(=O)c1ccc(OCCCC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1 12507377 SXQKZSUTMWLMNX-JOCHJYFZSA-N 391.471 3.688 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1CC 4167534 SNKJDZGBZPPMEX-UHFFFAOYSA-N 382.489 3.964 0 40 GHAB COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 48007453 DNWCZJFIPJYFPS-GOSISDBHSA-N 384.432 3.859 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1cccs1 24968793 PEFOZQZLZGZKOG-UHFFFAOYSA-N 393.512 3.992 0 40 GHAB O=C(CCC(=O)c1ccc(F)cc1)OCC(=O)c1ccccc1Br 3238235 RUPHPCVQNZUQNC-UHFFFAOYSA-N 393.208 3.977 0 40 GHAB Cc1ccccc1OCc1nn(CC(=O)N[C@H](C)c2ccccc2)c(=S)o1 8571588 WAZSFTKTRWTIPW-OAHLLOKOSA-N 383.473 3.970 0 40 GHAB Cc1ccc(-c2nnc([C@@H](C)NCc3ccccc3CN3CCOCC3)o2)cc1 25697074 MJWMVAGMADDHCA-GOSISDBHSA-N 392.503 3.728 0 40 GHAB C[C@H](Oc1ccccc1F)c1nnc(SCc2nnnn2-c2ccccc2)o1 9951626 CYVUVWSHRLORJP-LBPRGKRZSA-N 398.423 3.617 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 35267056 YLSGMJZIEQVVCE-FOIQADDNSA-N 386.467 3.857 0 40 GHAB CSc1ncc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)n1-c1ccccc1 12627563 GQBNKMUUNOMYCO-AWEZNQCLSA-N 387.505 3.588 0 40 GHAB O=C(NCC(=O)N1CCCc2ccccc21)c1cnc(-c2ccccc2)s1 57271353 UIYJZRJGARRDED-UHFFFAOYSA-N 377.469 3.519 0 40 GHAB CC(C)c1ccc(-n2cnnc2SCC(=O)Nn2cnc3ccccc32)cc1 27045158 ITAXMYUHKXPAIA-UHFFFAOYSA-N 392.488 3.603 0 40 GHAB O=S(=O)(NC1(c2ccc(Br)cc2)CC1)c1cc(F)cc(F)c1 48278693 OLPDAHHUDODFQW-UHFFFAOYSA-N 388.233 3.695 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CCc2c(C)nn(CC(C)C)c2C)c(C)c1 12758009 RSWNKEQSJRTWJH-UHFFFAOYSA-N 398.551 3.769 0 40 GHAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1 12749467 IORDRJHKUHJSLY-UHFFFAOYSA-N 377.356 3.830 0 40 GHAB Cc1ccc(Cl)c(OC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)c1 11200857 QVSIJYOMLBPCGM-UHFFFAOYSA-N 398.772 3.870 0 40 GHAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(Cn2cncn2)cc1 11367285 DDWXUHFUZOKHTF-UHFFFAOYSA-N 393.447 3.765 0 40 GHAB O=C(Nc1cccc2cn[nH]c12)c1ccc(NS(=O)(=O)c2cccs2)cc1 29385448 IPSXJRLUVJYIRT-UHFFFAOYSA-N 398.469 3.678 0 40 GHAB CCOC(=O)c1c(CSc2ncnc3c2cnn3C)nc2ccccc2c1C 11682740 LFVOLHBSJNYQSF-UHFFFAOYSA-N 393.472 3.689 0 40 GHAB O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)Nc1ccc(-n2cnnn2)cc1 12812618 PUUOXDMHJCXTLJ-UNXLUWIOSA-N 393.756 3.986 0 40 GHAB CSc1cccc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)c1 12166222 QDKACCZWPIDLSH-UHFFFAOYSA-N 380.469 3.939 0 40 GHAB Cc1csc2nc(CN(C)Cc3ccc(OC(F)(F)F)cc3)cc(=O)n12 12978428 UPDVSFIXGAOUOY-UHFFFAOYSA-N 383.395 3.595 0 40 GHAB O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 12948205 LGVLTMMYTHIBRN-FOIQADDNSA-N 390.474 3.998 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2N)c2ccccc2)c1 12914838 IYLGLMATFKIKDY-SFHVURJKSA-N 393.516 3.958 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(Cl)cc2)cc1 12925657 LEAWKJSIYLPKPA-IBGZPJMESA-N 386.879 3.832 0 40 GHAB Brc1cnc2c(Sc3nnnn3-c3ccccc3)ccnc2c1 96009272 RZXANQVWMJEDMO-UHFFFAOYSA-N 385.250 3.519 0 40 GHAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(Cn2cncn2)cc1 13732325 UZHCDWJMUWYHBZ-UHFFFAOYSA-N 375.457 3.631 0 40 GHAB CC(C)c1nnc(NC(=O)CSc2nnc(-c3ccco3)n2C(C)C)s1 13956300 RMVCSCWWSNHXOG-UHFFFAOYSA-N 392.510 3.825 0 40 GHAB COc1cccnc1NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 65474830 ILNPBPHRROLVTB-UHFFFAOYSA-N 397.504 3.567 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3cccs3)cs2)cc1 4496191 FDRSJJHXFZYDHK-UHFFFAOYSA-N 392.527 3.983 0 40 GHAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)S(=O)(=O)c1ccccc1 408714721 WJYSKJUCIQDAER-UHFFFAOYSA-N 385.489 3.855 0 40 GHAB CC1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 14183961 PGBRWCPFOCYVSF-UHFFFAOYSA-N 393.325 3.560 0 40 GHAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(I)cc1 65720020 ZAWUDVLQFDUUAL-ZDUSSCGKSA-N 395.240 3.797 0 40 GHAB Cc1cccc(C(=O)Nc2nc(-c3nnn(-c4ccc(F)cc4)c3C)ns2)c1 6914755 ZMFUAPSRNSWUAG-UHFFFAOYSA-N 394.435 3.794 0 40 GHAB COc1ccccc1-c1noc(CN(C)Cc2ccc(OC(F)F)cc2)n1 15300285 LPJGVTCWKOJLLI-UHFFFAOYSA-N 375.375 3.979 0 40 GHAB Cc1cc(C)cc(OCCN(C)S(=O)(=O)c2ccccc2Br)c1 15364787 MMBSKVOGAFLUBW-UHFFFAOYSA-N 398.322 3.765 0 40 GHAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 68351892 RQJARZSAMVURIS-CVEARBPZSA-N 386.835 3.920 0 40 GHAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(F)cc1 7729027 MQDBEJSTMPQHFS-UHFFFAOYSA-N 385.342 3.831 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccnn2C2CCCC2)c1 7718606 WCISHUVXTPCFEA-LJQANCHMSA-N 398.507 3.791 0 40 GHAB Cc1cc(N2CCN(C(=O)Cn3c(C)cc4ccccc43)CC2)nc(C(C)C)n1 16103591 TXJAHODJLZSLPB-UHFFFAOYSA-N 391.519 3.520 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)c1C 7985409 KAOKDOFUDCPNIS-LBPRGKRZSA-N 385.445 3.832 0 40 GHAB O=C(CN1CCCc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 7978357 JXTXKDSWMLEYLF-NRFANRHFSA-N 392.499 3.964 0 40 GHAB NC(=O)c1c(NC(=O)CN2CCC[C@@H]2c2cccs2)sc2c1CCCC2 8036336 RLATZDRCULHHLQ-CYBMUJFWSA-N 389.546 3.563 0 40 GHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCC[C@@H](C(F)(F)F)C1 16694814 PPRQKXXGMQDGTL-GFCCVEGCSA-N 394.422 3.961 0 40 GHAB COc1ccc(CC(=O)Nc2cc(Cl)ccc2Sc2nncn2C)cc1 9501188 XKUBCKIJFKFJBP-UHFFFAOYSA-N 388.880 3.810 0 40 GHAB C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)N1CCCc2ccccc21 9503810 UUBMMDOLGPUNCT-HNNXBMFYSA-N 378.501 3.942 0 40 GHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(-n2cccn2)cc1 9996107 LEFPMJWLAQSYOT-UHFFFAOYSA-N 377.404 3.568 0 40 GHAB Cc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)c(C(C)(C)C)c1 26781100 BUIKNSFVFCAGFF-NRFANRHFSA-N 382.548 3.854 0 40 GHAB Cc1cc(C)n(-c2ccc(SCC(=O)N[C@H]3CCCc4ccccc43)nn2)n1 8752586 OEQGPSDDFIKEGW-SFHVURJKSA-N 393.516 3.565 0 40 GHAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(F)cc2)C1 95993588 LCUSRZULRHVRJQ-UONOGXRCSA-N 390.377 3.886 0 40 GHAB C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118914667 KFMBVCVREUOCAU-IBKOPVIMSA-N 376.537 3.864 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1 408707964 MWMSSLCKHJISKN-MRXNPFEDSA-N 386.879 3.798 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1nc2ccccc2[nH]1 519294182 JPSHHOVFBYETDT-QRQCRPRQSA-N 388.471 3.781 0 40 GHAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1OCC 38756404 MUXNETBTSGICRW-LJQANCHMSA-N 387.476 3.966 0 40 GHAB Cc1ccc(CNC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1 35312214 MUEVWVZUZQJYSZ-UHFFFAOYSA-N 377.473 3.531 0 40 GHAB CCOc1ccc2nc(NS(=O)(=O)c3ccc(OC)c(C)c3)sc2c1 72414476 AOLXNMBEJRDJAC-UHFFFAOYSA-N 378.475 3.813 0 40 GHAB O=C(OCc1ccccc1CN1CCOCC1)c1ccc(Br)cc1 31720402 LLPCLDKDKJVBFA-UHFFFAOYSA-N 390.277 3.638 0 40 GHAB CCc1nc(S/C(=C\c2ccc(-c3cccc(C(=O)OC)c3)o2)C(=O)O)n[nH]1 213390990 DUWQXIMWXZTQFM-GDNBJRDFSA-N 399.428 3.632 0 40 GHAB Cc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2)ccc1N(C)S(C)(=O)=O 222483127 XZMUEOZJQFPQEU-LJQANCHMSA-N 388.533 3.908 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1 225117450 RCYOYYCYLYUXNH-QFBILLFUSA-N 398.569 3.572 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCSCc2cccc(C)c2)cc1C 222892773 YXPKIXQSXUGUKA-UHFFFAOYSA-N 379.547 3.832 0 40 GHAB COc1ccc(-c2noc(CCCc3nc(-c4ccc(OC)cc4)no3)n2)cc1 41154661 TWWHLYPECWBOFK-UHFFFAOYSA-N 392.415 3.979 0 40 GHAB CCn1cccc1-c1noc(CNC(=O)c2csc(-c3ccccc3)n2)n1 225768498 DQICZNQAYARBNM-UHFFFAOYSA-N 379.445 3.612 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 223124536 RVGJOOYFVXTMPB-OAHLLOKOSA-N 384.451 3.564 0 40 GHAB COC(=O)c1cccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 225795640 WCTRJVVCRRUVDW-UHFFFAOYSA-N 377.462 3.714 0 40 GHAB CCCC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NCC(C)C 225727645 VSZQJAZVXBCNGC-AWEZNQCLSA-N 383.330 3.739 0 40 GHAB COc1ccc(-c2ccnc3nc(CCc4ccc(OC)c(OC)c4)nn23)cc1 95479158 JXCIBNXURCKPRH-UHFFFAOYSA-N 390.443 3.602 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)c2)cc1 523132212 SBQMISHGIQTRQK-TWOQFEAHSA-N 384.501 3.714 0 40 GHAB O=C(CCn1ncc2ccc(Cl)cc21)N1CCN(c2ccccc2F)CC1 96181988 SHHHVDLDRVBUFP-UHFFFAOYSA-N 386.858 3.568 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)N[C@H]1CCCc2ccccc21 245237772 WGLRDWAGGIBHGS-SFTDATJTSA-N 392.499 3.789 0 40 GHAB Cc1cnn(CC(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)c1 257278158 OBBKTCMDFNJRCW-QGZVFWFLSA-N 398.894 3.830 0 40 GHAB CC(C)(C)c1ccccc1OCC(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257257666 KQPYESRBJGXLLN-URXFXBBRSA-N 397.515 3.794 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2C)[C@@H]1c1ccc(OC)cc1 257320506 VXDDJQJLKJGRCU-IRLDBZIGSA-N 380.488 3.620 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1cncc(Br)c1 618256666 VRFATKMBTXPHMG-ZDUSSCGKSA-N 393.262 3.629 0 40 GHAB CO[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(C)s1 96104809 JNERHUVKXYNEFG-ZDUSSCGKSA-N 395.424 3.621 0 40 GHAB O=C(NCc1nc2ccccc2n1C1CC1)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21 664662820 AESUXVAYOKTHEG-MAODMQOUSA-N 376.435 3.648 0 40 GHAB C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 1227437665 JSDGYTHFTSZLBJ-SQNIBIBYSA-N 392.588 3.865 0 40 GHAB CCOc1ccccc1CN1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615132043 WCWOVOTZHWCDSH-QHCPKHFHSA-N 398.478 3.622 0 40 GHAB Cc1c(CCC(=O)NCCCO)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 5347872 KMBYWJXAAIAZCR-UHFFFAOYSA-N 399.487 3.885 0 40 GHAB O=C(COc1ccccc1)Nc1ccc2c(c1)nc1n2CCN(C2CCCC2)C1 13692340 FZBDRMBTPMSOIV-UHFFFAOYSA-N 390.487 3.812 0 40 GHAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc2oc3ccccc3c2c1 14015602 SVZGTVHDUSVGEW-IAGOWNOFSA-N 388.423 3.866 0 40 GHAB CC(C)(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N 16755715 BMBBGGKLMLTRHM-UHFFFAOYSA-N 381.505 3.687 0 40 GHAB Cc1ccc2oc(C(=O)N3CCC[C@H](c4ncc5c(n4)CCN(C)C5)C3)cc2c1 19221304 YLOADJWRNDPFKS-INIZCTEOSA-N 390.487 3.539 0 40 GHAB Cc1c(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)oc2ccccc12 19566085 UJJMATZPDKYFFH-UHFFFAOYSA-N 390.487 3.539 0 40 GHAB Cc1nc([C@H]2CCN(C(=O)C3CCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753166 UHJOAOFYGCXDPZ-HNNXBMFYSA-N 398.894 3.807 0 40 GHAB O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19913956 ALJPKNJLMSPVIO-UHFFFAOYSA-N 393.270 3.680 0 40 GHAB O=C(CCn1c(C(F)F)cc2cccnc21)N1CC[C@]2(O)CCCC[C@@H]2C1 19347128 XUIHIJAQYZPFBY-FOIQADDNSA-N 377.435 3.518 0 40 GHAB O=C1CC2(CCN(Cc3ccc4ncccc4c3)CC2)Nc2ccccc2CN1 2037978298 ODCZQWOEGSGGHL-UHFFFAOYSA-N 386.499 3.701 0 40 GHAB O=C(c1ccc(O)cc1)N1CCc2sc(COCc3ccncc3)cc2C1 1565556445 IMFKJDQIYDBKRB-UHFFFAOYSA-N 380.469 3.764 0 40 GHAB O=C(Nc1ccccc1Br)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 714011 XXYOZWRVZGBZEN-NSHDSACASA-N 377.213 3.580 0 40 GHAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)nc2O)cc1 4317396 SDYSIJPHRQLDGH-UHFFFAOYSA-N 394.500 3.824 0 40 GHAB CC(=O)N1CCC(N(C(=S)NCc2ccccc2)c2ccc(F)cc2)CC1 4710571 KUUZTTIWIAGEJH-UHFFFAOYSA-N 385.508 3.718 0 40 GHAB Cc1ccc(C)c(CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1 15883705 GAFBWWNPNBMVCT-UHFFFAOYSA-N 397.544 3.740 0 40 GHAB CC(C)(C)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 23211754 ACFHTCRIURBIOX-HXUWFJFHSA-N 386.511 3.685 0 40 GHAB Cc1c(C(=O)NCc2nccnc2-c2cccs2)cnn1-c1ccccc1 575621383 WIJAGOFOIKSFND-UHFFFAOYSA-N 375.457 3.629 0 40 GHAB CCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(F)cc1 1926303 LXADBBXMLJAPCS-UHFFFAOYSA-N 395.433 3.516 0 40 GHAB COc1ccccc1OCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 14659533 HGRFQRFGNSGNAU-UHFFFAOYSA-N 382.441 3.540 0 40 GHAB CCc1nc(OCC(=O)Nc2ccccc2Br)c2ccccc2n1 33287307 RJMBTNKWPYTOBL-UHFFFAOYSA-N 386.249 3.972 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 10489664 MNDXPLXDWIMYEO-KRWDZBQOSA-N 396.871 3.579 0 40 GHAB Cc1ccc([C@@]2(O)c3ccccc3C(=O)N2Cc2cn3ccccc3n2)cc1C 40158667 CGRGMBNWCORVKT-XMMPIXPASA-N 383.451 3.801 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1oc2c(c1C)C(=O)CCC2 40131060 YDLRRJLBEHNDPZ-UHFFFAOYSA-N 377.444 3.840 0 40 GHAB CN(CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1csc2ccccc12 51853542 YIYLGQDDZGPSGI-SFHVURJKSA-N 393.556 3.976 0 40 GHAB COc1ccc(CNC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 32578796 JDQDMYDJZOIMOD-UHFFFAOYSA-N 381.432 3.564 0 40 GHAB COc1ccc(C)cc1NC(=O)CNC(=O)CCc1cccc(Cl)c1Cl 32636213 SEDFOGNKKDWABR-UHFFFAOYSA-N 395.286 3.998 0 40 GHAB Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2F)n1Cc1ccccc1 32676121 JVQMILGHXSOVCW-AWEZNQCLSA-N 384.480 3.743 0 40 GHAB CCOC(=O)[C@H]1CCCN(Cc2csc(-c3cccc(OC)c3OC)n2)C1 32758247 MUWDDKCBOHMXFS-AWEZNQCLSA-N 390.505 3.602 0 40 GHAB COc1ccc2oc(C)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2c1 41156953 RQRGKESRUGURHD-UHFFFAOYSA-N 391.427 3.800 0 40 GHAB Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(C)cc2)cc1 41157872 PDKCBHUCVGPMEE-HSZRJFAPSA-N 386.495 3.961 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 670480 GQXBHEIRAPJWNN-UHFFFAOYSA-N 378.881 3.705 0 40 GHAB COc1ccc(OC)c(/C=C2\N=C(c3ccccc3Br)OC2=O)c1 725781 AQVHOGLNACWGCO-GDNBJRDFSA-N 388.217 3.811 0 40 GHAB COc1cccc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)c1 630206 WCZFHRNTYMPKPO-UHFFFAOYSA-N 378.457 3.930 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(CNc2ccccc2)o1 905469 HTSQERUSLPZCCK-AWEZNQCLSA-N 380.473 3.752 0 40 GHAB COc1ccc2cc(C)c3nnc(SCC(=O)N4CCCC[C@H]4C)n3c2c1 928437 HGJIVMITVFFGFV-CQSZACIVSA-N 384.505 3.693 0 40 GHAB CCOc1ccccc1N1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1 1029131 CFZHWLLIVBYXAQ-UHFFFAOYSA-N 379.460 3.538 0 40 GHAB COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc(C)c1C 995860 OJQNRLXTJCVKMC-VQHVLOKHSA-N 375.446 3.821 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 79493730 GEBAJNDSAVKZEV-JXMROGBWSA-N 392.528 3.713 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1 34200976 KVVJJKDDOSICOH-CYBMUJFWSA-N 388.876 3.799 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3OCC)CC2=O)cc1 4454440 GTXODJAVGJEANG-MRXNPFEDSA-N 382.460 3.866 0 40 GHAB COc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(OC)c1 4484900 FRCNUAZNLILUJB-UHFFFAOYSA-N 377.853 3.964 0 40 GHAB CCCCn1nc(C)c(C(=O)Nc2ccc3[nH]nc(C(=O)OC)c3c2)c1Cl 12520638 KHJYQJBPUNSZOA-UHFFFAOYSA-N 389.843 3.560 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc(N2C(=O)c3cccnc3C2=O)cc1 6343747 UAKDFVBNMBLWAQ-UHFFFAOYSA-N 377.787 3.788 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 7361105 XBCGMGRRVWKPDU-UHFFFAOYSA-N 377.462 3.796 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 7667187 PILZVJLWBMGSNA-LBPRGKRZSA-N 378.881 3.611 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccc(N2CCCC2)nc1 43731565 DIWHDXMBFJPHEX-UHFFFAOYSA-N 393.466 3.553 0 40 GHAB CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 44173954 PKRSKDNEGOCCQY-ZDUSSCGKSA-N 387.530 3.513 0 40 GHAB COc1ccc(Oc2cc(NC(=O)c3ccc(C(N)=O)cc3)ccc2OC)cc1 12674446 SLZBKVYLFBUXMV-UHFFFAOYSA-N 392.411 3.847 0 40 GHAB O=C(CCn1cc(Cl)cn1)Nc1cnn(Cc2c(F)cccc2Cl)c1 28230607 BUICJKVXZSBSMO-UHFFFAOYSA-N 382.226 3.603 0 40 GHAB O=C(Nc1cccc(CN[C@@H](C(=O)N2CCCCC2)c2ccccc2)c1)C1CC1 57825439 YLCDLMXBGCRZRM-JOCHJYFZSA-N 391.515 3.879 0 40 GHAB CC(=O)CC(=O)CSc1nc2ccccc2c2nc(-c3ccccc3)nn12 9937936 MYGZBHALJPKQIG-UHFFFAOYSA-N 376.441 3.585 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2)c1cccs1 48237470 IAEFAWVNAFXOQN-GFCCVEGCSA-N 389.473 3.839 0 40 GHAB COc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)cc2NC(C)=O)cc1C 2182610 FXGXMZKUXFLDCS-UHFFFAOYSA-N 383.853 3.692 0 40 GHAB CCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C1=O 3370931 DSCGSHJUTOOPBO-LJQANCHMSA-N 379.888 3.868 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 3345201 RPGJLZMGSJDJOZ-UHFFFAOYSA-N 382.441 3.923 0 40 GHAB CCC(C)(C)n1nnnc1CN(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 57614152 VNTKQUCTCUMLJE-KRWDZBQOSA-N 377.920 3.653 0 40 GHAB CCCCCC[C@]1(C)NC(=O)N(C[C@@H](O)COc2c(C)ccc(C)c2C)C1=O 12889662 GIYJLDUIVYZVTJ-GCJKJVERSA-N 390.524 3.632 0 40 GHAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2cc(C)on2)s1 3470023 LUGWCGXRQDQODI-UHFFFAOYSA-N 391.478 3.708 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)CSc2nc3ccccc3s2)cc1 9157150 GUQWYUUUEGRXQG-UHFFFAOYSA-N 378.500 3.643 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1N1CCCC1=O 20104996 JHZJFOKBZOCTOU-UHFFFAOYSA-N 396.468 3.776 0 40 GHAB Cc1ccc(OCc2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)cc1 19796861 KCPHVIJLGJDBLB-UHFFFAOYSA-N 380.429 3.511 0 40 GHAB COc1ccc(OCCCC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 6213301 MCHMINOQNQFCPR-UHFFFAOYSA-N 375.421 3.519 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1 14229452 AATQLYUGFPGZNV-UHFFFAOYSA-N 384.823 3.658 0 40 GHAB O=C1OC(c2cccc(I)c2)=N/C1=C\C=C\c1ccco1 6645936 FGILILWZNMAQBW-NTOUICHMSA-N 391.164 3.785 0 40 GHAB CCOC(=O)c1cc(NC(=O)c2ccc(C)c(C)c2)ccc1N1CCOCC1 4705146 WWZLZWOGZCNWDF-UHFFFAOYSA-N 382.460 3.569 0 40 GHAB COc1ccc(-c2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)cc1 6781137 SMGUBFSBDQKKLC-UHFFFAOYSA-N 382.423 3.768 0 40 GHAB CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccccc1 6808632 MZAGFEIUMFFSOU-UHFFFAOYSA-N 375.472 3.863 0 40 GHAB Cc1cccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)c1 67206013 PJJODDZLEISLAK-UHFFFAOYSA-N 391.427 3.794 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 5958324 ZHAXSCVCFXDMMR-JTQLQIEISA-N 379.243 3.710 0 40 GHAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 7371229 XWQIJKVQKLUGHD-CQSZACIVSA-N 398.488 3.787 0 40 GHAB COc1cc(CC(=O)Nc2ncc(Cc3ccccc3)s2)cc(OC)c1OC 7797799 CFHJUICNDHLXEF-UHFFFAOYSA-N 398.484 3.941 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)N1C(=O)NC2(CCCCCCC2)C1=O 9683051 GQSYWHKGDMHEEH-ZWKOTPCHSA-N 399.535 3.547 0 40 GHAB CCOc1cc([C@H]2NC[C@H](C(=O)O)S2)ccc1OCc1cccc(F)c1 408975912 CRRQZTGNGDNEME-MSOLQXFVSA-N 377.437 3.592 0 40 GHAB Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 8163270 NYGWGMYENZRGSR-ROUUACIJSA-N 396.487 3.618 0 40 GHAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCCOC 22517616 ZZFXSAYLQMFIAL-KRWDZBQOSA-N 390.867 3.512 0 40 GHAB CCCOc1ccc(N2C(=O)C[C@@H](n3cnc4cc(C)c(C)cc43)C2=O)cc1 95482841 IOKCRJSNAAAJAM-HXUWFJFHSA-N 377.444 3.947 0 40 GHAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)c4ccccc4)[C@H]3C2=O)c1 409367728 FEIUPXHACAFTJR-BLKABHOGSA-N 399.446 3.868 0 40 GHAB Cc1cc(Br)ccc1NC(=O)C(=O)NCCCCc1ccccc1 408709822 XLUYYKRPYUIGLP-UHFFFAOYSA-N 389.293 3.835 0 40 GHAB CCn1c(COc2ccccc2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 409326680 DFHAZGQHTSYHFU-DOTOQJQBSA-N 388.537 3.664 0 40 GHAB COc1ccc(C2(C(=O)NCCn3ccc4ccccc43)CCOCC2)cc1 70666406 SQZZPSVFDQWPHU-UHFFFAOYSA-N 378.472 3.515 0 40 GHAB biogenic O=C(c1cccnc1)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 72362080 WLLJIBQMBCRPNU-MRXNPFEDSA-N 378.407 3.823 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCC 225260981 WVEZLZZBDPLHBS-CQSZACIVSA-N 383.330 3.883 0 40 GHAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2cccnc2)c1 223834392 SLXAZEDAVRCUDR-UNOMPAQXSA-N 377.469 3.539 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 223754224 RDMLDCJQFRXZHH-QGZVFWFLSA-N 398.478 3.681 0 40 GHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C 223456559 MEKMAFBBEHTZFP-PMACEKPBSA-N 377.517 3.605 0 40 GHAB CCn1nncc1CNC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 528872957 BEZXPUVICWNHDK-UHFFFAOYSA-N 396.398 3.762 0 40 GHAB CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(CC)c2)cc1OCC 223711264 SESVQTKXERQNSO-UHFFFAOYSA-N 393.505 3.534 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccccc1 222937587 YNVSLQVMCWNJTE-MRXNPFEDSA-N 388.508 3.612 0 40 GHAB CC(C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 225205778 LUIMWTMIINDDIJ-CQSZACIVSA-N 386.945 3.679 0 40 GHAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1 225699725 VPHBCOWCMIUNFP-QFIPXVFZSA-N 392.540 3.712 0 40 GHAB O=S(=O)(c1cc(Br)c2cccc3c2c1CC3)N1CCCCC1 41105691 NSRDRXLLSJAPHL-UHFFFAOYSA-N 380.307 3.876 0 40 GHAB O=C(c1snnc1-c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 225771166 YBJGOTNGJIKSLZ-UHFFFAOYSA-N 398.919 3.817 0 40 GHAB COC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224984680 NYXFHOGGJLPTDN-UHFFFAOYSA-N 399.921 3.739 0 40 GHAB O=C(O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 225045322 DVXCDQXZROWXDQ-UHFFFAOYSA-N 375.833 3.773 0 40 GHAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccn1)c1ccccc1 223473541 CIXQNLGSPOHKIZ-QFIPXVFZSA-N 391.446 3.627 0 40 GHAB Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccc(Cl)cc4)sc3nc12 96347322 UYSXGMMJKQNUTF-UHFFFAOYSA-N 397.887 3.844 0 40 GHAB Cn1c2ccccc2c2c1cc(C(=O)NCc1cccs1)n2-c1ncccn1 96037282 YIJUSPPHMCWOSX-UHFFFAOYSA-N 387.468 3.904 0 40 GHAB CN(C)Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)o1 583615191 PVQUAZOAOZKDFS-ZACQAIPSSA-N 388.899 3.642 0 40 GHAB O=C(COc1ccccc1F)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607547 ILHWXZXDVBIDAA-UHFFFAOYSA-N 398.356 3.688 0 40 GHAB c1cc(Nc2cnccn2)nc([C@H]2CN(Cc3ccnc4ccccc34)CCO2)c1 257221423 DOYWFGGLCRZVHX-OAQYLSRUSA-N 398.470 3.737 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NC[C@@H](c1ccco1)N1CCSCC1 253402448 OJBFMGLXGRRFJV-OZSKJFCKSA-N 376.909 3.853 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)C(C)(C)C)CC2)on1 257220833 DMJBMQQRRWDKAV-WKILWMFISA-N 399.539 3.942 0 40 GHAB Cc1ncoc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N[C@H]2Cc1ccccc1 257206384 BDDUEUWJWFPZQT-BPDSMXLESA-N 379.504 3.730 0 40 GHAB O=C(N=c1ccn(CCc2ccncc2)[nH]1)C1(c2cccc(Cl)c2)CCC1 623924390 QAGBMWLDDBRVJB-UHFFFAOYSA-N 380.879 3.657 0 40 GHAB COc1ccccc1-c1nc(C2CCN(C(=O)[C@H]3Cc4ccccc43)CC2)no1 682954815 DEOJLKUSKMXDBV-IBGZPJMESA-N 389.455 3.791 0 40 GHAB Cc1ccc(C(=O)CSc2nc(O)c(Cc3ccc(F)cc3)c(O)n2)cc1 575443854 NRWQVOCTAJRMTP-UHFFFAOYSA-N 384.432 3.901 0 40 GHAB CCOc1ccccc1C(=O)N1CCC[C@]2(CCN2Cc2c(C)noc2C)C1 585102070 QDJVVBAPBBLWDM-QFIPXVFZSA-N 383.492 3.571 0 40 GHAB Cc1ncc(CN2CC[C@@]23CCCN(C(=O)c2nccc4ccccc24)C3)s1 585101875 JYLGJTSLAMQCLS-JOCHJYFZSA-N 392.528 3.880 0 40 GHAB COc1ccc(CNC(=O)NC[C@@H](c2ccsc2)n2nc(C)cc2C)cc1 824671183 OXTQNYVDSJSVHC-IBGZPJMESA-N 384.505 3.659 0 40 GHAB COc1ccc(F)c(CN2CCC(c3cc(O)nc(-c4ccncc4)n3)CC2)c1 72392728 BDLGTNFNKCHVFJ-UHFFFAOYSA-N 394.450 3.772 0 40 GHAB CCN(CC(=O)NC(C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 45333268 KRVIFVGYUUFLCG-UHFFFAOYSA-N 384.320 3.711 0 40 GHAB Cc1nn(C)c(Cl)c1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 40040700 CEUKWZLHOIDCHO-HNNXBMFYSA-N 381.307 3.602 0 40 GHAB Cc1cc(C(=O)NCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c(C)o1 55390916 NQMWIISBHQEZAJ-OAHLLOKOSA-N 378.881 3.633 0 40 GHAB CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccccc2)sc(C)c1C 5672713 IWGCDGRKKLARLL-ZHACJKMWSA-N 387.457 3.737 0 40 GHAB Cc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccc(F)c(Cl)c1 11691849 IJFYPMGAMVCJCK-UHFFFAOYSA-N 399.769 3.814 0 40 GHAB CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12327882 ITWQTUAEYNADGC-NRFANRHFSA-N 393.531 3.774 0 40 GHAB Cc1ccn2cc(C(=O)OCC(=O)c3ccc(Br)s3)nc2c1 17183419 KUDQDARAKXBBNQ-UHFFFAOYSA-N 379.235 3.506 0 40 GHAB CC(=O)c1ccc(NC(=S)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 17517906 MQSIQXIVUMFBNB-QGZVFWFLSA-N 381.501 3.937 0 40 GHAB COc1cccc([C@H](NC(=O)COc2ccc(Cl)c(C)c2)c2nccn2C)c1 18237603 DPWWOBLOXKZJQH-FQEVSTJZSA-N 399.878 3.675 0 40 GHAB CCn1nc2c(c1C(=O)Nc1ccccc1OC[C@H]1CCCCO1)CCCC2 19524114 WEHYVOUAIUTKKA-MRXNPFEDSA-N 383.492 3.982 0 40 GHAB COc1ccc(-c2nn(C)c(NC(=O)Cc3ccc4c(c3)CCCO4)c2C)cc1 19557325 IFEUEHNYBSDSFJ-UHFFFAOYSA-N 391.471 3.910 0 40 GHAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)CO2 19562360 AVZYMMMTVQSLOO-OXQOHEQNSA-N 397.471 3.627 0 40 GHAB Cc1noc2nc([C@@H]3CCCN(C(=O)c4cnn(C)c4C)C3)cc(C(F)F)c12 19564277 KGPYRMHTPGYGTP-GFCCVEGCSA-N 389.406 3.531 0 40 GHAB CCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 19706597 TZHSJWNEGOMVBZ-IBGZPJMESA-N 378.520 3.854 0 40 GHAB COc1cc(CN2CCC(c3n[nH]c4nccnc34)CC2)ccc1OC(C)C 12228335 OMMRSCKPXHVQJE-UHFFFAOYSA-N 381.480 3.528 0 40 GHAB CNC1CCC2(CC1)CN(Cc1c(C)nc3ccccn13)Cc1ccccc1O2 19555026 RWJKRFVBRMPLRQ-UHFFFAOYSA-N 390.531 3.938 0 40 GHAB COCc1c(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)oc2ccccc12 3170475 SCCKGPIBOYYDOU-AWEZNQCLSA-N 379.412 3.714 0 40 GHAB O=C(CSc1nnnn1-c1ccccc1)Nc1nc(-c2ccccc2)cs1 5948107 WDDXXDLVMKTCRP-UHFFFAOYSA-N 394.485 3.517 0 40 GHAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 25329569 PCTIICWYRUFAQF-LBPRGKRZSA-N 381.881 3.585 0 40 GHAB COc1ccccc1CN1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037841174 ZDJCIEBQPOOPCR-HSZRJFAPSA-N 398.478 3.622 0 40 GHAB COc1cccc(OCC(=O)NCCc2csc(-c3cccc(F)c3)n2)c1 5137545 NOIHOTFIZBHOPW-UHFFFAOYSA-N 386.448 3.696 0 40 GHAB Cc1cc(OC[C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3C)C2)ccn1 1775971470 OYEQQHPGDWXZHE-LJQANCHMSA-N 390.487 3.815 0 40 GHAB CCn1/c(=N/S(=O)(=O)c2ccc(C)cc2)sc2c(C)ccc(OC)c21 101022417 WZQRRBJKZSUNAD-HNENSFHCSA-N 376.503 3.638 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1ccc(N2CCOC2=O)cc1)c1ccsc1 40094104 KDNSOFFPFNFUKF-GOSISDBHSA-N 387.505 3.518 0 40 GHAB CCCOc1ccc(N2C(=O)C[C@@H](NCc3ccc4[nH]c(C)cc4c3)C2=O)cc1 100121564 LIMXPADLRXZUMZ-OAQYLSRUSA-N 391.471 3.687 0 40 GHAB CCCCC(=O)NCCNC(=O)c1cc2ccccc2n1Cc1ccccc1 32093026 VOEAUYVRFIGCFT-UHFFFAOYSA-N 377.488 3.726 0 40 GHAB O=C1[C@H]2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 101359500 WSMQNLKUIRGZOC-ZFWWWQNUSA-N 395.629 3.939 0 40 GHAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)nc1Cl)c1nnc2ccccn12 20738609 JGWDDJGHQIQAST-GFCCVEGCSA-N 378.263 3.948 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1 32883759 CEUDPCVTAIGRPT-UHFFFAOYSA-N 381.457 3.549 0 40 GHAB CN(CCCNC(=O)c1cc(Br)ccc1F)Cc1ccccc1 32841722 ZQXXYTDULCRAMN-UHFFFAOYSA-N 379.273 3.840 0 40 GHAB CC(C)N(C)C(=O)c1ccc(CNC(=O)Cc2ccc(-n3cccc3)cc2)cc1 33079013 CKPSLDCGOPYXHL-UHFFFAOYSA-N 389.499 3.817 0 40 GHAB CNc1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(OCC(F)(F)F)n1 718763 MKEDQPGMYUGSSO-UHFFFAOYSA-N 399.707 3.766 0 40 GHAB CCOC(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1 786923 ATCJIUWQWRPWCN-UHFFFAOYSA-N 383.473 3.810 0 40 GHAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1nc(-c2ccccc2)cs1 1059674 SSIFNSHBBLUNON-UHFFFAOYSA-N 378.409 3.934 0 40 GHAB CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NC[C@H]1CCCO1 1341161 FLWRIQBKUMXZBE-MRXNPFEDSA-N 396.491 3.875 0 40 GHAB CC(C)(C)C(=O)Nc1nnc(SCC(=O)Nc2ccccc2Cl)s1 1381679 GPOSVZKWHNPVHK-UHFFFAOYSA-N 384.914 3.907 0 40 GHAB CCOc1ccc(C)cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(F)cc12 1430064 VRYQQSCBRDCRBI-UHFFFAOYSA-N 390.480 3.844 0 40 GHAB CCc1ccccc1N(CC(=O)N[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 2072056 YKNPJGFAIQWCAB-KRWDZBQOSA-N 388.533 3.667 0 40 GHAB CC(C)C[C@H](C(=O)NCc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 2662906 JFWFJEGFCBDKSO-GOSISDBHSA-N 384.863 3.667 0 40 GHAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCCc2ccccc21 3229081 YKTVLPOJWRGBNA-UHFFFAOYSA-N 395.440 3.537 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)c1C 4077893 HDCKHYQUUCSEQO-UHFFFAOYSA-N 378.523 3.870 0 40 GHAB Cc1c(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)oc2ccccc12 4313053 LHNCAHVVZOOTLC-AWEZNQCLSA-N 389.498 3.632 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCc3ccco3)cc2)cc1 4742094 AGXDJTMBZWKXLB-UHFFFAOYSA-N 398.484 3.638 0 40 GHAB C[C@H]1CCc2c(sc3nc(SCC(=O)O)n(-c4ccccc4)c(=O)c23)C1 4812099 ZUAXFHMGDKFBFA-NSHDSACASA-N 386.498 3.749 0 40 GHAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)NCc1ccco1 5333052 OUOWYQFWKJYKJR-GFCCVEGCSA-N 386.452 3.809 0 40 GHAB Cc1nc(CSc2nc3scc(-c4ccccc4)c3c(=O)n2N)cs1 5333972 ACDHIEBMGCRILP-UHFFFAOYSA-N 386.527 3.896 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(-c2ccccc2)cc1 6546635 FVXRYLGDLNLHFT-UHFFFAOYSA-N 391.471 3.937 0 40 GHAB CC(C)C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1C(=O)c2ccccc2C1=O 6559174 IHJOYIFCTSNKNF-ZDCBYCKXSA-N 394.515 3.782 0 40 GHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O 6852762 FSINEPITECLNCN-CRRKTRLDSA-N 397.452 3.863 0 40 GHAB Cc1cc(C)cc(N2C(=O)N(Cc3cc(C)ccc3C)[C@@H]3CS(=O)(=O)C[C@H]32)c1 7005791 ARMVPEUROMOTIZ-NHCUHLMSSA-N 398.528 3.528 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccccc2)cc1 7007493 BXMPNZVFYHXOSY-AWEZNQCLSA-N 382.489 3.884 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 7085446 FGUPASUSLAWOJP-UHFFFAOYSA-N 387.534 3.651 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccccc1Cl 7477842 FJRAELZXDHHTHH-UHFFFAOYSA-N 383.835 3.938 0 40 GHAB O=C(Nc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 7599931 MHJIBMZMOHBMIZ-UHFFFAOYSA-N 396.871 3.519 0 40 GHAB COc1ccc(CN(C(=O)CN2CC=C(c3ccccc3)CC2)C2CC2)cc1 7647407 HBFAESFLTSDZOY-UHFFFAOYSA-N 376.500 3.976 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccnn2C2CCCC2)c(OC)c1 7741071 VIWMTLMNKQLQBW-IBGZPJMESA-N 398.507 3.791 0 40 GHAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3c(C)nn(C)c3C)n2)cc1 7764402 GVWWXLHSHRCZSJ-ZDUSSCGKSA-N 384.509 3.504 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 7787061 IKCJBTCSRJFVST-IFXJQAMLSA-N 384.432 3.695 0 40 GHAB Cc1cc(C)c2c(n1)sc1c(=O)n([C@@H](C)C(=O)N(C)c3ccccc3)cnc12 8194571 SKQLVFBICXQBNU-AWEZNQCLSA-N 392.484 3.847 0 40 GHAB CC(C)Oc1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 8479142 QTASCOYXONMRFF-UHFFFAOYSA-N 390.505 3.659 0 40 GHAB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc1OC 8843634 QQRACOSVUFWXIK-FQEVSTJZSA-N 395.459 3.669 0 40 GHAB COc1ccc(Cc2nnc(Nc3cccc(C(F)(F)F)c3)nc2O)cc1 8997483 SZCZAJIYXYVUHF-UHFFFAOYSA-N 376.338 3.939 0 40 GHAB Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(=O)n(CCN(C)C)cnc3c12 9486572 QLBKDUQEVUIYMX-UHFFFAOYSA-N 399.907 3.592 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 9694959 IOCDFLVIKJKSTA-UHFFFAOYSA-N 399.343 3.954 0 40 GHAB COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1C(=O)NC(C)C 10009018 LRDNZVHWHLXVPL-UHFFFAOYSA-N 390.505 3.559 0 40 GHAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccnc3)[C@](O)(C(F)(F)F)[C@@H]2C1 10041449 OKYPQKTUWXSONL-HBUWYVDXSA-N 383.414 3.997 0 40 GHAB CSc1cccc(NC(=O)COC(=O)c2cc(C(C)=O)n3ccccc23)c1 10272893 FTCSUNMMGJUGBK-UHFFFAOYSA-N 382.441 3.659 0 40 GHAB CCOc1cccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1 10294758 JZVORJDUNPGGHV-CQSZACIVSA-N 396.468 3.774 0 40 GHAB COc1ccccc1-c1cc(C(=O)N[C@@H](c2ccccc2)c2ccnn2C)no1 12194089 WDCKYZWNAHBJSD-NRFANRHFSA-N 388.427 3.603 0 40 GHAB Cc1cc2c(cc1NC(=O)CCCc1nc(-c3ccccc3)no1)OCCO2 12196342 TYAZEJCTIYYIQU-UHFFFAOYSA-N 379.416 3.778 0 40 GHAB CC(=O)N1C(=O)[C@@]2(S[C@@H](C)C(=O)N2c2ccc(Cl)cc2)c2ccccc21 12416891 IABITACYUQTLID-WLRWDXFRSA-N 386.860 3.554 0 40 GHAB COc1ccc2c(=O)c(Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)coc2c1 12442640 KMWUHGJRDZBDGO-KRWDZBQOSA-N 395.411 3.503 0 40 GHAB biogenic O=C(O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1Cl 12605567 DFDBMQYOGLQUAC-UHFFFAOYSA-N 390.642 3.602 0 40 GHAB Cn1cc(C(=O)Nc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)cn1 12895471 DTBGVFMAHXRFIR-UHFFFAOYSA-N 383.477 3.781 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CN[C@H](C)c2ccc(Cl)cc2)c(C)c1 12987456 NUJKNPBAMFTXEI-MRXNPFEDSA-N 387.911 3.671 0 40 GHAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(C)c1 13669248 KCPPTMZLBSMKRK-FMIVXFBMSA-N 399.443 3.849 0 40 GHAB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1C 13999842 URETVTQBRKKZJK-UHFFFAOYSA-N 398.528 3.727 0 40 GHAB Cc1ccn2c(=O)cc(COc3ccccc3C(=O)Nc3ccccc3)nc2c1 14738978 WQZVEZZOANNPSW-UHFFFAOYSA-N 385.423 3.834 0 40 GHAB Cc1ccn2c(=O)cc(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)nc2c1 16343893 COFKJUAAVYDUAJ-LJQANCHMSA-N 391.471 3.501 0 40 GHAB O=C(CCCc1nc(-c2cccnc2)no1)N1CCC[C@H](Cc2ccccc2)C1 19370560 ZXXOPNIIMPHHRU-LJQANCHMSA-N 390.487 3.936 0 40 GHAB Cc1ccc2c(COC(=O)c3cccc(N4CCCC4=O)c3)cc(=O)oc2c1 19480994 YELPQSIRFSXBDT-UHFFFAOYSA-N 377.396 3.585 0 40 GHAB CCc1nccn1CCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C 19523641 DPMPORDLPRUCRT-PQNGQFLHSA-N 394.563 3.705 0 40 GHAB CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)C(C)C)C1 19528347 ZJWUERVMHMFLIA-QHCPKHFHSA-N 397.519 3.593 0 40 GHAB CCc1nccn1[C@H](C)C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)c(C)s1 19666317 XGHANWHQVDQQPK-GFCCVEGCSA-N 398.488 3.848 0 40 GHAB Cc1cc(C)c2c(=O)c(CN3CCN(Cc4ccccc4)CC3)c(C)[nH]c2c1 19793544 KQCQOMRXHQTHBL-UHFFFAOYSA-N 375.516 3.771 0 40 GHAB CCOc1ccc(NC(=O)c2nnc3c(-c4ccc(F)cc4)cnn3c2C)cc1 19817133 IIICLWGWPOLWIG-UHFFFAOYSA-N 391.406 3.890 0 40 GHAB O=C(NC(=S)Nc1ccc(O)c(C(=O)O)c1)c1ccc(-c2ccccc2)cc1 20152193 JABGHNIXEFFMSM-UHFFFAOYSA-N 392.436 3.884 0 40 GHAB Cc1cc(C)cc(N(CC(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)c1 20236793 SYAQWXIZTSEPIP-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB O=C1C[C@@H](N2CCc3ccccc3C2)C(=O)N1c1cc(Cl)cc(Cl)c1 20357978 ZIBKRYHCMALQLS-QGZVFWFLSA-N 375.255 3.684 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4ccc(OC)cc4)nn32)cc1 20722420 RICLQLBLDSIXDS-SFHVURJKSA-N 392.415 3.739 0 40 GHAB CC(C)c1ccc(OCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1 21139814 IOUZUZOZPFFZGV-UHFFFAOYSA-N 380.488 3.741 0 40 GHAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccccc1OC[C@@H]1CCCO1 21901276 DKRBIZAVOBKNEW-SFHVURJKSA-N 375.428 3.954 0 40 GHAB Cc1nc(SCC(=O)N2c3ccccc3C[C@H]2C)n(C[C@@H]2CCCO2)c1C 22091947 BKXHUDHZEGBKED-KDOFPFPSSA-N 385.533 3.749 0 40 GHAB CC[C@@H](C)n1c(=O)c2ccccc2n(Cc2nc(-c3ccc(C)cc3)no2)c1=O 23126736 SFMRYLVUJFRXSH-OAHLLOKOSA-N 390.443 3.541 0 40 GHAB CCCc1ccc(OC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 23211916 SDMPALAVDHMTRL-OAQYLSRUSA-N 388.939 3.854 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c1 24260175 LCTYDOHHLHUTFU-UHFFFAOYSA-N 381.453 3.541 0 40 GHAB C[C@H](CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1ccccc1 25294183 QGXHBXPMROSMDO-HZPDHXFCSA-N 377.448 3.610 0 40 GHAB CCOc1ccc(-c2noc(CNc3ccc(C(=O)N4CCCC4)cc3)n2)cc1 26782049 IWRWZHHKODAYEK-UHFFFAOYSA-N 392.459 3.983 0 40 GHAB Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(C)c1 26882642 MVHWVEVZJUTJRG-UHFFFAOYSA-N 375.465 3.726 0 40 GHAB COc1ccccc1CNC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 30989900 YOWDGYJRBYELNX-UHFFFAOYSA-N 378.476 3.839 0 40 GHAB CC(C)N1C[C@@H](CCN2CCOCC2)[C@@](c2ccccc2)(C2CCCC2)C1=O 31761574 SOQCWIZPIOMVMH-ISKFKSNPSA-N 384.564 3.704 0 40 GHAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1cccc(C(F)(F)F)c1 32093501 FJXOENBANLNLIA-HNNXBMFYSA-N 391.349 3.824 0 40 GHAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)c1 32586202 LGLOTQPVUNVRHB-UHFFFAOYSA-N 390.280 3.626 0 40 GHAB COc1cccc(Cn2nccc2NC(=O)Cc2ccc(Cl)cc2)c1OC 32810776 MOENFVOZMYSJKI-UHFFFAOYSA-N 385.851 3.783 0 40 GHAB CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)s2)cc1 32815961 HQOBAZWSFWQYKA-UHFFFAOYSA-N 394.456 3.939 0 40 GHAB C[C@@H](Sc1nnc(-c2cccs2)n1CCC(N)=O)c1ccc(F)cc1 32905078 YODJZNCOTOVVSE-LLVKDONJSA-N 376.482 3.874 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 35289750 YFFGAZFQZSKEPK-IBGZPJMESA-N 380.448 3.588 0 40 GHAB CCc1ccc2c(c1)c1nnc(SCC(=O)Nc3ccccc3F)nc1n2C 35312719 WWLYXDJMCGCLEW-UHFFFAOYSA-N 395.463 3.949 0 40 GHAB Cc1nn(C(F)F)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 36614814 MISHRHVTSBHSAN-UHFFFAOYSA-N 391.443 3.978 0 40 GHAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 40080258 LUSIMTXXIGVJIJ-LJQANCHMSA-N 377.492 3.631 0 40 GHAB CC(C)[C@H](C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)n1cncn1 40151305 LCQHWZKXNIZZTG-GIJLVODISA-N 386.499 3.889 0 40 GHAB O=C(c1cc(F)ccc1F)C1CCN(C(=S)NCc2cccs2)CC1 44182463 WFDZJSLQHGLPMO-UHFFFAOYSA-N 380.485 3.996 0 40 GHAB CC(C)c1cccc(OC[C@H](O)CSc2nc3c4ccccc4ncn3n2)c1 48229491 DQJIGTPLAKGJKV-INIZCTEOSA-N 394.500 3.933 0 40 GHAB Cc1occc1C(=O)Nc1cc(NC(=O)c2cc3c(cc2O)OCO3)ccc1F 48366632 ZYJVJKHTNXJVDM-UHFFFAOYSA-N 398.346 3.666 0 40 GHAB Cc1cccc(C)c1NC(=O)CN1CCc2[nH]c3ccc(Cl)cc3c(=O)c2C1 48987373 UFEVBUPICQVUMW-UHFFFAOYSA-N 395.890 3.795 0 40 GHAB Cc1nc(-c2nnc(NC(=O)COc3ccc(Cl)cc3Cl)o2)cs1 49029225 SEWXETQFZYJJBY-UHFFFAOYSA-N 385.232 3.826 0 40 GHAB Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(C(F)(F)F)nn1C1CCN(C)CC1 49362664 NSACROWCRXSFBE-CHWSQXEVSA-N 386.462 3.595 0 40 GHAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NCc1nnc2ccccn12 50552484 HGJJCSHLXLLIKV-UHFFFAOYSA-N 383.864 3.745 0 40 GHAB COc1ccc(Br)cc1NC(=O)c1nn(-c2ccccc2)nc1C 56035662 CXNLSMXYDSBAFP-UHFFFAOYSA-N 387.237 3.599 0 40 GHAB NS(=O)(=O)c1ccc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)cc1 58158496 XXYKFGXJRKSRNM-UHFFFAOYSA-N 383.857 3.994 0 40 GHAB CCOCCNC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 58264538 XMWSTRBYQMLRJM-UHFFFAOYSA-N 377.491 3.651 0 40 GHAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)nc1 60658718 IIJAOZZPDPCQMA-UHFFFAOYSA-N 399.447 3.891 0 40 GHAB CN(CC(=O)NC(C)(C)C)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 61058603 MNSMWGHRNZGERJ-UHFFFAOYSA-N 387.094 3.682 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N2CCC(c3nnc4ccccn34)CC2)c(C)c1 70754354 FFTNDPGZGOTEAY-KRWDZBQOSA-N 377.492 3.553 0 40 GHAB CCn1ccnc1[C@@H](CCc1ccccc1)OC(=O)CCCCCNC(C)=O 72314159 POWGANSXDNPMNI-HXUWFJFHSA-N 385.508 3.817 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)c2cn(C)nc2SC)cc1Cl 95458337 LPXBXSWDAFPQRM-UHFFFAOYSA-N 380.901 3.530 0 40 GHAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1 95471007 ZRSLZUFBHDPNOS-KRWDZBQOSA-N 394.496 3.907 0 40 GHAB Cc1cc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)c2nc3n(c2n1)CCCCC3 95948273 UBDTYRFOMUGCFC-QGZVFWFLSA-N 398.894 3.583 0 40 GHAB O=C1NCCN(C(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1ccccc1Cl 96010178 OETBAFVJMIAGPD-KRWDZBQOSA-N 397.887 3.777 0 40 GHAB FC(F)(F)c1ccc(O[C@H]2COCCN(c3nc4ccccc4o3)C2)nc1 96113231 QTJCMEDHOLQOFD-CYBMUJFWSA-N 379.338 3.526 0 40 GHAB biogenic,in-vitro Cn1c([C@@H]2CCCN2C(=O)C2(c3ccccc3)CCOCC2)nc2ccccc21 96232588 VYADXQWGSCSODO-NRFANRHFSA-N 389.499 3.985 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344834 OREFGGSJVBCRPI-NSHDSACASA-N 388.349 3.573 0 40 GHAB CCNc1c(NS(=O)(=O)c2ccccc2Cl)c(=O)oc2ccccc12 101095467 YKVOXQDUFKBJDP-UHFFFAOYSA-N 378.837 3.679 0 40 GHAB Cc1c2c(=O)n(-c3nc4ccccc4s3)nc-2cc(O)n1Cc1cccs1 101512306 VPKWQIDMOLUAFY-UHFFFAOYSA-N 394.481 3.872 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102817014 MAMJCSITLXOTFM-OAGGEKHMSA-N 393.553 3.524 0 40 GHAB COCCn1c(-c2ccccc2OC)cs/c1=N/c1ccc2c(c1)OCCO2 104894593 SCGVYOXJWBNWMP-QURGRASLSA-N 398.484 3.875 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3ccc(Cn4ccnc4)cc3)s2)cc1 154385578 TVDYHWDSMSTQSE-UHFFFAOYSA-N 391.456 3.711 0 40 GHAB COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)NC2CCCCC2)ccc1O 199426245 PBGDWFAMSACRAM-OAQYLSRUSA-N 394.515 3.777 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC(Oc2nc3ccccc3s2)C1 206657270 PVXZDWUOMMQACS-UHFFFAOYSA-N 394.431 3.729 0 40 GHAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2)C1 219239710 LLCOUXMZNXWMAF-QGZVFWFLSA-N 390.487 3.899 0 40 GHAB CC(=O)[C@H]1C[C@H](C(=O)N(C)c2ccccc2I)C1(C)C 222374393 QEUUGDPOMABRGB-VXGBXAGGSA-N 385.245 3.505 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C(=O)COc2cccc3cccnc23)CC1 223136168 LCSJHVYYSUNNJQ-UHFFFAOYSA-N 395.890 3.924 0 40 GHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccccc1 224076296 CWCFEBNREKLGIA-SFHVURJKSA-N 384.545 3.968 0 40 GHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 224533154 MMHHVMFGJNCGGJ-UHFFFAOYSA-N 396.468 3.677 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccc(CN2CCCC2)c1 224615462 WXBQKSOGQKXTCV-UHFFFAOYSA-N 378.925 3.555 0 40 GHAB Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCNc1ccccc1 225049972 GQZOCXCGMCXFFL-SFTDATJTSA-N 391.544 3.895 0 40 GHAB Cc1oc2ccc3c(C)cc(=O)oc3c2c1CNS(=O)(=O)c1ccccc1 255187758 GNYXGLORHPNHPM-UHFFFAOYSA-N 383.425 3.635 0 40 GHAB c1cc(Nc2cnccn2)nc([C@@H]2CN(Cc3ccnc4ccccc34)CCO2)c1 257221422 DOYWFGGLCRZVHX-NRFANRHFSA-N 398.470 3.737 0 40 GHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2CN(Cc3ccccn3)C[C@@H]21 306125073 CGGADPSHNCPTJG-PXNSSMCTSA-N 382.510 3.565 0 40 GHAB Cc1cccc(CN2C[C@@H]3c4cc(-c5ccncc5)ccc4S(=O)(=O)[C@H]3C2)c1 306127284 FTZLSDFVPWBTIK-GGAORHGYSA-N 390.508 3.812 0 40 GHAB Cc1ccc(C(=O)N2CC[C@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)s1 306128856 HMTSFOFVMDFIGI-NRFANRHFSA-N 397.475 3.874 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C 408706070 UQLPFAQQDFPTFM-FQEVSTJZSA-N 384.476 3.877 0 40 GHAB CCc1sc2nc(SCC(=O)OC)n(-c3ccc(C)cc3)c(=O)c2c1C 409118609 OOVYJVWAZCYIOK-UHFFFAOYSA-N 388.514 3.892 0 40 GHAB COc1cc(C=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C 409248245 CZCZPNVKYWMBSW-UHFFFAOYSA-N 392.249 3.905 0 40 GHAB COc1cc(/C=C\C(N)=O)cc(Br)c1OCc1ccc(F)cc1 409416209 GXNTXWIIIGWCIV-DAXSKMNVSA-N 380.213 3.674 0 40 GHAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc3cc(OC)c(OC)cc3[nH]1)CC2 524733127 WYYBBISTRWRAHO-HNNXBMFYSA-N 396.443 3.620 0 40 GHAB CNC(=O)c1ccc(OC)c(NC(=O)C[C@@H](c2ccsc2)n2cccc2)c1 524735410 AWWTWEWDYUGJBA-KRWDZBQOSA-N 383.473 3.536 0 40 GHAB C[C@H](C(=O)Nc1cccc2ccccc12)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 580073206 CGUXQQJIPAXAPA-HBGVWJBISA-N 388.467 3.967 0 40 GHAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@@H](CO)C(C)C)c(C)c3cc12 606440421 LFURPEUDZSZHFO-SFHVURJKSA-N 385.460 3.530 0 40 GHAB biogenic CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2COC(C)(C)C2)cc1 660300971 WAOWSJRGDSMEKF-HXUWFJFHSA-N 381.520 3.782 0 40 GHAB O=C(NC[C@H](CO)c1ccc(Cl)cc1)c1ccc(OCc2cccnc2)cc1 673376455 IUCSBFOTHNJFSZ-LJQANCHMSA-N 396.874 3.820 0 40 GHAB Cc1ncc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)c(C)n1 1615126549 KQAAEXFPEHLUGN-JOCHJYFZSA-N 382.483 3.896 0 40 GHAB CC(=O)c1sc2nc(SCC(=O)Nc3ccccc3C)nc(O)c2c1C 1615592320 XRJYWRHJEIAHQS-UHFFFAOYSA-N 387.486 3.947 0 40 GHAB CCCCOc1ccc(NC(=O)NCc2cc(-c3ccccn3)nn2C)cc1 1775966509 ISXRBIQKIGQVBU-UHFFFAOYSA-N 379.464 3.983 0 40 GHAB Cc1cc(OCC2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)ccn1 1775968576 RSVQWYSAYIDOJV-UHFFFAOYSA-N 394.450 3.850 0 40 GHAB CCOc1cc(C(=O)N2CCN(c3ccccc3)CC2)nc2c(F)cccc12 1889049271 MUQXYWFCKXZNHB-UHFFFAOYSA-N 379.435 3.735 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2cccc(C)c2)cc1 654647 SXJYQTIVSDRBCK-UHFFFAOYSA-N 386.517 3.511 0 40 GHAB Cc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccccc4)cc3C2=O)cc1 704959 VWVJMKPPJHOMPE-UHFFFAOYSA-N 399.402 3.835 0 40 GHAB Cc1ccccc1C(=O)Nc1ccc(-c2nnc(S[C@H](C)C(=O)O)n2C)cc1 713406 YMFZHHDVDGPLCK-CYBMUJFWSA-N 396.472 3.608 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)OCc1ccccc1 904723 JGVWRLGNPWFFRQ-UHFFFAOYSA-N 376.441 3.651 0 40 GHAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccco2)c(C(=O)OCC)c1C 1454988 ACZCMONNOHFJDJ-CMDGGOBGSA-N 377.418 3.655 0 40 GHAB COc1ccccc1NCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 1514228 NQQBNYITLIXILR-RQZCQDPDSA-N 384.413 3.530 0 40 GHAB O=C(COc1c(-c2ccco2)oc2ccccc2c1=O)NCc1ccccc1 1994416 QXHASOBPMSFLNC-UHFFFAOYSA-N 375.380 3.748 0 40 GHAB CCCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1ccc(Br)cc1 2062026 DVRKGOMKIMZQAL-HNNXBMFYSA-N 381.270 3.763 0 40 GHAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc(C)c2)C1=O 2153545 KGJRZTDWDVYJFW-REWPJTCUSA-N 387.483 3.571 0 40 GHAB biogenic O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NCCc1ccc(F)cc1 2640350 AHAMOHPNHAXOCG-UHFFFAOYSA-N 399.278 3.626 0 40 GHAB COc1ccc(NC(=O)COc2ncnc3sc4c(c23)CCCC4)c(OC)c1 2644858 BUEXHQHLWYSWJC-UHFFFAOYSA-N 399.472 3.605 0 40 GHAB CCn1cc(Cl)c(C(=O)Nc2ccc(Nc3ccc(Cl)nn3)cc2)n1 2764327 PTSYYYRMKHJATG-UHFFFAOYSA-N 377.235 3.996 0 40 GHAB COc1ccc(C(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)c(OC)c1 3341461 OJHVSOSJJJIQRL-UHFFFAOYSA-N 390.819 3.746 0 40 GHAB O=c1cc(CSc2nnnn2-c2ccccc2)c2cc3c(cc2o1)CCC3 3510514 RAUPSSIYEFWBFV-UHFFFAOYSA-N 376.441 3.550 0 40 GHAB Cc1ccc(Cn2cc(SCC(=O)N3CCOCC3)c3ccccc32)cc1 4059712 ZQGWQIZQVQXUNZ-UHFFFAOYSA-N 380.513 3.949 0 40 GHAB O=C(COc1ccc(Cl)cc1)N1CCN=C1SCc1ccccc1F 4120549 YWNLNGDDIQBLER-UHFFFAOYSA-N 378.856 3.990 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CSc2nccn2Cc2ccccc2)c1 4248725 GVMBNWNNLSAPHL-UHFFFAOYSA-N 380.473 3.621 0 40 GHAB COc1cc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc(OC)c1OC 4275906 HIKFROYUBVSLDB-UHFFFAOYSA-N 389.795 3.668 0 40 GHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc(O)c2)n2ncnc2N1 4369607 AHFHOWFDHPUYKA-IBGZPJMESA-N 375.432 3.528 0 40 GHAB CC(C)CNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 4491166 BSNMCKKDCOIEOH-UHFFFAOYSA-N 398.507 3.862 0 40 GHAB O=C(CSc1nnc(-c2cccs2)s1)Nc1ccc(C(=O)O)cc1 4511370 VEBYXVPTFFHLHK-UHFFFAOYSA-N 377.472 3.696 0 40 GHAB Cc1nnc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(C(C)C)cc23)s1 4861457 WOLPWOFIZMGILR-UHFFFAOYSA-N 399.505 3.520 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)O[C@H](CC)C(=O)c3ccccc3)CC2=O)cc1 5002142 BIEFPAAWHADZIZ-YLJYHZDGSA-N 395.455 3.643 0 40 GHAB COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=O)NC2CCCCC2)c1 5256311 WZEHNGAAVVOLKY-OAQYLSRUSA-N 383.492 3.953 0 40 GHAB COc1ccc(OC)c(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c1 5270600 VSNJYHVAJXHTCT-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB O=c1/c(=C/c2c(F)cccc2Cl)sc2nc(/C=C/c3cccs3)nn12 5278135 KFHNSGCQVFBZBT-XQZMZFSGSA-N 389.864 3.723 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCC12CC3CC(CC(C3)C1)C2 5294032 PXJMKYWRBJAWMM-SXYIGIQMSA-N 386.511 3.913 0 40 GHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C(C)=O)c1 5430298 UJWVVHZZPHDARC-UHFFFAOYSA-N 394.500 3.822 0 40 GHAB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)CC1 6186715 YEQMAQOVNRVXCS-UHFFFAOYSA-N 375.465 3.792 0 40 GHAB CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 6326284 IPDRPBCSEILKOI-ACAGNQJTSA-N 387.288 3.802 0 40 GHAB CC(C)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 6633769 WMGYJORZCNVLIZ-UHFFFAOYSA-N 394.924 3.864 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)cc1C 6680470 WRFUSVCVOPPHOZ-UHFFFAOYSA-N 378.519 3.792 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(C)cc1)S2 6811878 ZKFUXPSUDJKJSM-MOPGFXCFSA-N 393.516 3.855 0 40 GHAB c1ccc(-n2c(SC[C@@H]3CCCO3)nnc2-c2ccc3c(c2)OCO3)cc1 6978540 XMXUEUSYQPCHSD-INIZCTEOSA-N 381.457 3.934 0 40 GHAB C[C@@H](Sc1nc2ccccc2o1)C(=O)c1ccc(NS(C)(=O)=O)cc1 7026258 KMCGEBMVHSVIBH-LLVKDONJSA-N 376.459 3.563 0 40 GHAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccc(C)cc2)n1N)c1ccccc1 7112152 AHCWSYXFKAZDJD-GOSISDBHSA-N 395.532 3.669 0 40 GHAB CCOc1ccc(NC(=O)C[C@H]2SC(Nc3ccc(C)cc3)=NC2=O)cc1 7127532 WPVLIEHYDCXZJG-QGZVFWFLSA-N 383.473 3.832 0 40 GHAB CC(=O)Nc1ccc(CC(=O)O[C@H](C)C(=O)Nc2cccc3ccccc23)cc1 7512443 KENARJITKRMZRX-OAHLLOKOSA-N 390.439 3.911 0 40 GHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc(Br)c1 7968115 DTEVFTWATFCQEL-UHFFFAOYSA-N 391.265 3.559 0 40 GHAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1cncc(Br)c1 8184856 IWCCLNLSYHRUHL-UHFFFAOYSA-N 394.612 3.905 0 40 GHAB O=C(CSc1ncnc2ccccc12)Nc1ccc2c(c1)OC(F)(F)O2 8189016 ACJFHJNUHXVFLX-UHFFFAOYSA-N 375.356 3.682 0 40 GHAB COc1ccc(-c2nc(-c3ccc4c(c3)CCN4S(C)(=O)=O)cs2)cc1 8225472 SALSUOXOFMKBBM-UHFFFAOYSA-N 386.498 3.808 0 40 GHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](CC(C)C)c1ccccc1 8328493 FRGSEHBKEGXEBC-SFHVURJKSA-N 390.505 3.719 0 40 GHAB Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1CCc1ccc(Cl)cc1 8706047 YSSKQPDAFPSGHW-UHFFFAOYSA-N 389.912 3.676 0 40 GHAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCc1cccnc1 8721294 OIYDYXUGIKGPMV-UHFFFAOYSA-N 398.466 3.932 0 40 GHAB CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCC(=O)O 8811939 ZONUDTYXSCAACM-ZVBGSRNCSA-N 397.258 3.979 0 40 GHAB CC[C@H](C)c1ccc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 8890024 JBNISZQBZIWBMX-NPMXOYFQSA-N 376.456 3.776 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)NCCCn1ccc2ccccc21 9471006 DSNWIPHBEAZFBR-UHFFFAOYSA-N 377.444 3.536 0 40 GHAB O=C(Nc1cccc(CNS(=O)(=O)c2ccccc2C(F)(F)F)c1)C1CC1 10668516 JTCPKJLDIMZJEP-UHFFFAOYSA-N 398.406 3.532 0 40 GHAB CCc1nc(N2CCCC2)ncc1C(=O)N[C@@H](c1ccccc1)c1cccnc1 12148253 MAHXEOUXJRNNRO-NRFANRHFSA-N 387.487 3.554 0 40 GHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1n[nH]c2ccccc12 12525266 ZSBIXWRBQHDNKA-UHFFFAOYSA-N 377.231 3.580 0 40 GHAB O=C(Nc1ccccc1F)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 12759761 WPLGYRDYKLRLLZ-AQTBWJFISA-N 375.363 3.709 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CN(C)[C@@H](C)c3cc4ccccc4o3)ccc21 12793852 ABIBYRRUCFBJRU-HNNXBMFYSA-N 391.471 3.973 0 40 GHAB Cc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c(Cl)c1 12846558 NUUHTLMKZRCZMA-UHFFFAOYSA-N 383.835 3.536 0 40 GHAB Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 12941460 LALPLNJHTOKTRR-RMKNXTFCSA-N 392.455 3.614 0 40 GHAB COc1cccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c1 12973230 UWXSFPPMZUBUBX-UHFFFAOYSA-N 377.444 3.774 0 40 GHAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1ccccc1-c1ccccc1 12980200 CGNSOBDKLUZPDY-UHFFFAOYSA-N 383.473 3.655 0 40 GHAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1cccc(Cl)c1 13693381 VJKFQEQJTRFYGF-UHFFFAOYSA-N 397.862 3.794 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cc(Cl)ccc3C)ccc21 14189190 KPQLKFVYGFZTEY-UHFFFAOYSA-N 378.881 3.748 0 40 GHAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(C)cc1 14291318 ABBPEFYQEVPENF-UHFFFAOYSA-N 379.445 3.731 0 40 GHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)NCc1cccs1 15861426 CGAVEJYKGJLTJS-UHFFFAOYSA-N 387.530 3.564 0 40 GHAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)C1 16016599 KBNDEXOPQAAJGD-CYBMUJFWSA-N 394.443 3.638 0 40 GHAB O=C(CCc1nc(-c2ccsc2)no1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 16309884 RNHMAUPOWLPOGD-MRXNPFEDSA-N 393.472 3.971 0 40 GHAB COc1ccccc1C1(C(=O)NCCc2c[nH]c3ccccc23)CCOCC1 16985789 DARRAUJSXDMGQP-UHFFFAOYSA-N 378.472 3.584 0 40 GHAB Cc1cc(-c2cc(=O)n(CC(=O)c3ccccc3)nc2-c2cccs2)on1 19121168 CXBXBLSBUCGCAK-UHFFFAOYSA-N 377.425 3.818 0 40 GHAB CN(C)C(=O)c1ccc([C@H]2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)nc1 19705893 YKHBNGGICNCRMZ-IBGZPJMESA-N 393.531 3.877 0 40 GHAB CC[C@@H](NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc(C)cc1 20112657 YLVJGPYTWVZIBB-LJQANCHMSA-N 388.533 3.645 0 40 GHAB COc1c2c(cc3c1[C@H](CC(=O)c1cc4ccccc4o1)N(C)CC3)OCO2 20112991 DFXCHVQKSWZORX-HNNXBMFYSA-N 379.412 3.972 0 40 GHAB biogenic Brc1ccc(-c2nnc(CSc3nc(C4CC4)n[nH]3)o2)s1 21737424 IDCXGFTWQJOHJP-UHFFFAOYSA-N 384.284 3.848 0 40 GHAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN(C)[C@@H](C)c1ccc(F)c(F)c1 23356037 UHYIAKMAELRXKH-GUYCJALGSA-N 393.430 3.609 0 40 GHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1OC[C@H]1CCCO1 23613008 DRCXVJXUCVIQBJ-OAQYLSRUSA-N 394.515 3.639 0 40 GHAB Cc1ccc(OCCCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 23718746 FQTGNROOHBEQDW-UHFFFAOYSA-N 393.487 3.661 0 40 GHAB CC(=O)Nc1cc(NC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)ccc1F 24459182 BYENKVDLWUPDAS-UHFFFAOYSA-N 377.460 3.588 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nc1 24764256 WRQOITVIZAHOCU-LBPRGKRZSA-N 388.518 3.565 0 40 GHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 27314309 MVZGLDDPMSRFFF-AWEZNQCLSA-N 382.391 3.755 0 40 GHAB CCCCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1 30867723 WFFRPYIOIZDVCR-UHFFFAOYSA-N 384.476 3.805 0 40 GHAB CC(C)COCCC(=O)Nc1ccnn1Cc1cc(Br)cs1 31743916 NKEDTPQJFFXKHO-UHFFFAOYSA-N 386.315 3.757 0 40 GHAB O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1ccccc1-c1cccs1 32426665 MRMWPZIOTRUGJT-UHFFFAOYSA-N 379.416 3.903 0 40 GHAB COc1ccc(C(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)cc1OC 32609674 KVURVDZNYJESHR-UHFFFAOYSA-N 389.814 3.993 0 40 GHAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)O[C@@H]3C[C@@H](C)OC3=O)cc12 32736205 CPCVBIQDXYEKKQ-YMTOWFKASA-N 390.848 3.910 0 40 GHAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1cccs1 32794774 VTFMLXAOAQIMOB-NWDGAFQWSA-N 393.306 3.741 0 40 GHAB O=C1CN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)CCN1 32915394 HHTLQWSFTNXFQT-UHFFFAOYSA-N 398.677 3.835 0 40 GHAB O=C(Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1)c1ccco1 33000272 XCBFBQLRUSAVPF-UHFFFAOYSA-N 387.486 3.856 0 40 GHAB COc1ccc([C@H]2CCCN2C[C@H](O)c2cc(F)ccc2OC)cc1OC 36734417 GIGZBXOXQFJCKF-MSOLQXFVSA-N 375.440 3.722 0 40 GHAB O=C(NCc1cccnc1OCC(F)(F)F)c1ccccc1Br 40074525 HZJPBXUPSUPAKE-UHFFFAOYSA-N 389.171 3.715 0 40 GHAB Cc1ccc(CNC(=O)C2CCN(C(=O)CCc3ccsc3)CC2)cc1F 40113966 VRVKTVWXXKHWPE-UHFFFAOYSA-N 388.508 3.683 0 40 GHAB C[C@H](NC(=O)C1CCN(c2ncccn2)CC1)c1ccc(Cl)c(Cl)c1 40130315 HTIHOPUFLYAIAC-LBPRGKRZSA-N 379.291 3.877 0 40 GHAB CC(C)c1cc(C(=O)N2CCN(Cc3ccccc3F)CC2)nn1C(C)(C)C 40141251 BXRMRRBGVUUTLX-UHFFFAOYSA-N 386.515 3.859 0 40 GHAB C[C@@H]1c2ccsc2CCN1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 46901304 AUKIXBGELBYMQS-CYBMUJFWSA-N 379.526 3.776 0 40 GHAB O=C(NCC1(c2ccc(F)cc2)CCCC1)C1CCN(C(=O)c2ccco2)CC1 48333717 GIMFRCRXZOJXGC-UHFFFAOYSA-N 398.478 3.899 0 40 GHAB O=C(CSc1nccnc1N1CCSCC1)Nc1ccc(F)cc1Cl 48986552 IYHBPPVAVNKSSS-UHFFFAOYSA-N 398.916 3.553 0 40 GHAB Cc1c(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)oc2ccccc12 58196542 FFUUAMLMLPMPMO-UHFFFAOYSA-N 393.439 3.948 0 40 GHAB O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1O 65500570 QCKDYLYHBNDTTF-UHFFFAOYSA-N 378.394 3.805 0 40 GHAB COc1ccc([C@@H](NC(=O)c2ccc([S@@](C)=O)cc2)c2ccccc2)cc1 65552597 FQESAISDXPUHJI-IDISGSTGSA-N 379.481 3.952 0 40 GHAB CCOc1ccc(-n2c(=O)c3sccc3n(Cc3ccccc3C)c2=O)cc1 67260241 RNUDPSVPPARCTP-UHFFFAOYSA-N 392.480 3.969 0 40 GHAB Cc1ncc(CN(C)C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)s1 69592390 VKWIFKBMYOOSBY-UHFFFAOYSA-N 381.461 3.763 0 40 GHAB Cc1ccc(CCC(=O)NCC(=O)Nc2cccc(Br)c2C)cc1 72318925 XHSLSUWEKIFKRM-UHFFFAOYSA-N 389.293 3.753 0 40 GHAB CCc1nccn1-c1nccnc1[C@@H]1CCCN(Cc2ccc(OC)cc2)C1 72350517 PKZGKKGTNAWVIF-GOSISDBHSA-N 377.492 3.613 0 40 GHAB COc1ccc(Oc2ncccc2NS(=O)(=O)c2cc(C)ccc2O)cc1 84147577 DJHNVOXGWWRSOD-UHFFFAOYSA-N 386.429 3.697 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3(C)CCC3)c2)cc1 95438400 YWCGXVFULCIINY-UHFFFAOYSA-N 388.489 3.559 0 40 GHAB COc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)c(OC)c1OC 95481400 FMEPVDPPCIJXAH-CYBMUJFWSA-N 392.249 3.753 0 40 GHAB Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(CN2CCOCC2)cn1 95976286 XJVDPWGYGMWMID-UHFFFAOYSA-N 394.500 3.598 0 40 GHAB CC(C)(C)NC[C@@H]1CO[C@@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 96075486 OJASWGSLGMGZJF-HXOBKFHXSA-N 381.520 3.634 0 40 GHAB CCc1ccc(NC(=O)N2CC[C@]3(CC[C@@H](C(=O)NCC4CC4)O3)[C@H](C)C2)cc1 96261028 HREKXMKSSUAJEH-NIJIEXERSA-N 399.535 3.567 0 40 GHAB Cn1cnnc1-c1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)nc1 97032551 JUQXGPWRLMWOOP-UHFFFAOYSA-N 398.348 3.696 0 40 GHAB C[C@H](NC(=S)NC(=O)c1ccccc1Br)[C@H]1C[C@H]2CC[C@H]1C2 102193935 XZKFLFIUMSFQCP-ZJQBRPOHSA-N 381.339 3.878 0 40 GHAB COc1cc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)cc1OC 102670025 XCHVDNHKYYKHSE-SFHVURJKSA-N 384.436 3.612 0 40 GHAB Cc1ccc(NC(=O)c2ccn(-c3c(F)cccc3F)n2)c(Br)n1 128011632 WZKJEEDPBDELBU-UHFFFAOYSA-N 393.191 3.869 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)c1 136535760 APKKQRMRYSQWFH-POZUXBRTSA-N 392.455 3.873 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCN(c2nccs2)C1 206810287 QXSABPFLERHFMD-GFCCVEGCSA-N 388.880 3.769 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1C 222524347 YESYECYKVJXXKL-AWEZNQCLSA-N 394.924 3.844 0 40 GHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1cccnc1 222867237 NOWNNDMLGDNUTC-UXHICEINSA-N 377.517 3.958 0 40 GHAB CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3)n2)cc1 223624473 MSKZPWHNXPWSFP-UHFFFAOYSA-N 385.489 3.822 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC(C)(C)CC(C)(C)C 224097845 HMTLVBUVGOYLEC-UHFFFAOYSA-N 380.554 3.724 0 40 GHAB COc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 225681637 RTGIWTHSBZADOS-IBGZPJMESA-N 396.531 3.796 0 40 GHAB COc1cc(N2CCCCC2)nc(NC(=S)NCc2ccccc2Cl)n1 225936315 VQEVMKSKFLZQQD-UHFFFAOYSA-N 391.928 3.616 0 40 GHAB CN1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2N)CC1 226263527 PDUMAWKZTFEDAR-UHFFFAOYSA-N 379.291 3.580 0 40 GHAB Cc1cc(-c2cccnc2)nn1CCNC(=O)c1csc(-c2ccccc2)n1 390827257 VOHSXZYSIXGCPB-UHFFFAOYSA-N 389.484 3.807 0 40 GHAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2OC)c1 408627974 OWDLUQFHDHPAJY-UHFFFAOYSA-N 391.880 3.824 0 40 GHAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCCO2 408628433 SYMOJHYUXCMLSA-UHFFFAOYSA-N 399.255 3.597 0 40 GHAB CC(C)C(NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C(C)C 408701967 IHRAMCRNPGHNRT-UHFFFAOYSA-N 386.945 3.535 0 40 GHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1 409233881 UKQWIQCFCNKNSO-RIYZIHGNSA-N 376.821 3.916 0 40 GHAB C[C@H](NC(=O)N1CC[C@@H](N2CCCC2=O)C1)C(c1ccccc1)c1ccccc1 558726619 WMVIYZAWNRHHQY-GHTZIAJQSA-N 391.515 3.613 0 40 GHAB COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc4c(c3)NC(=O)C4(C)C)C2)c1 572837506 SKUMGHYJYRRWIQ-QAQDUYKDSA-N 378.472 3.943 0 40 GHAB Cc1cc(C)n([C@@H](CNC(=O)c2cc3ccccc3oc2=O)c2ccsc2)n1 575612553 BCWXXTJLAQGBDI-SFHVURJKSA-N 393.468 3.687 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN(C)Cc2cccnc2)C3)cc1 585104890 VYKKWUVXVNGLPY-QFIPXVFZSA-N 393.531 3.533 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NCCn1nc(C2CC2)cc1C1CC1 585300072 JANAQSJWMVEKMR-UHFFFAOYSA-N 379.913 3.578 0 40 GHAB Fc1cnc(N2CCC[C@@H](c3nnc4ccccn34)C2)nc1-c1ccsc1 642073749 WDTBNKAVAAQDTH-CYBMUJFWSA-N 380.452 3.771 0 40 GHAB CCc1nn(C)cc1S(=O)(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 1666284770 DZYBAAFIKFXAIW-FQEVSTJZSA-N 387.480 3.532 0 40 GHAB CN(c1ccccn1)C1CCN(c2ncc(Br)cc2Cl)CC1 1888930320 NYGOGMIOCWDXLP-UHFFFAOYSA-N 381.705 3.998 0 40 GHAB CCc1ccc(NC(=O)CN2CCC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 1888962003 QNZVVWPWDJAQKK-SFHVURJKSA-N 391.475 3.512 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccccc2F)cc1 857932 RKKYWONLQCGLOY-UHFFFAOYSA-N 398.459 3.968 0 40 GHAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NC(C)C)n2)cc1 890717 UHXLZJCECFOLJP-UHFFFAOYSA-N 385.411 3.788 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NC1CCCC1 905306 AJIWIPNHPNKDBH-UHFFFAOYSA-N 382.489 3.737 0 40 GHAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCCCCC3)c3ccccc32)cc1 1320694 BPASMLZCJCRINA-DEOSSOPVSA-N 392.499 3.636 0 40 GHAB COc1cc(-c2nnc3sc(-c4ccc(F)cc4)nn23)cc(OC)c1OC 2329914 CBAAXZXZESIEIL-UHFFFAOYSA-N 386.408 3.685 0 40 GHAB Cc1ccc(NC(=O)CSc2nc(N)c3cc4c(nc3n2)CCCC4)cc1 2337354 HMKCHWACEKYICT-UHFFFAOYSA-N 379.489 3.525 0 40 GHAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(Cl)cc2)c1 2400105 OVEBPNCGWGCTKM-UHFFFAOYSA-N 379.847 3.657 0 40 GHAB CCCCOC(=O)c1ccc(N[C@H](NC(C)=O)C(Cl)(Cl)Cl)cc1 2682386 JPYIYVUEKGBZLQ-AWEZNQCLSA-N 381.687 3.888 0 40 GHAB O=C(COC(=O)c1cccnc1Cl)Nc1ccccc1C(=O)c1ccccc1 3249851 GKQLSZMGOYQGKM-UHFFFAOYSA-N 394.814 3.762 0 40 GHAB CSc1nnc2c(n1)O[C@@]1(Nc3ccccc3-2)C(=O)Nc2ccc(Cl)cc21 3653268 MGSLRGCQQVYLTR-GOSISDBHSA-N 397.847 3.523 0 40 GHAB biogenic COc1cccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1OC 4164665 HZGOFVPSUNIDBY-QGZVFWFLSA-N 382.445 3.781 0 40 GHAB CCCCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1 4834617 WEATTYYOJDPRNF-UHFFFAOYSA-N 390.505 3.806 0 40 GHAB CCOC(=O)CSc1nnc2c3c4c(sc3nc(CC)n12)C[C@@H](C)CC4 4848059 JZOLOYLCPYSSMU-JTQLQIEISA-N 390.534 3.681 0 40 GHAB CC(C)C(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1c(F)cccc1Cl 5000958 XHEKYKXMWCAUOW-UHFFFAOYSA-N 376.815 3.999 0 40 GHAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(Br)o1 5271513 FXAZPUPWEYISRE-UHFFFAOYSA-N 378.222 3.729 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N2CCc3cc4c(cc3[C@@H]2C)OCCCO4)c1 5450966 QVYYJTSQUPAIOH-INIZCTEOSA-N 387.501 3.773 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2c(F)cccc2F)cc1 6321877 XAKLUSCMSFIEDT-UHFFFAOYSA-N 396.459 3.613 0 40 GHAB CNC(=O)c1c(NC(=O)Cc2coc3ccc(OC)cc23)sc2c1CCCC2 6746671 KPMBQNUTYNUBER-UHFFFAOYSA-N 398.484 3.923 0 40 GHAB aggregator CCN1CCN(c2ccccc2NC(=O)Cc2c(F)cccc2Cl)CC1 7268342 ZHYJRQYWVQNXJQ-UHFFFAOYSA-N 375.875 3.802 0 40 GHAB COC(=O)CN1C(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)SC1=S 8333760 MYELHLJKDBFKPT-NVNXTCNLSA-N 379.503 3.501 0 40 GHAB FC(F)(F)Oc1ccc(-n2nnnc2SCc2nc3ccccc3o2)cc1 8395366 VSJWNIOFTCDVCY-UHFFFAOYSA-N 393.350 3.994 0 40 GHAB O=C(CSc1nc(-c2cccs2)n[nH]1)N(Cc1ccccc1F)C1CC1 8528028 DKPKNRYJWXOAFU-UHFFFAOYSA-N 388.493 3.956 0 40 GHAB Cc1ccc(C)c(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 8750629 WYWCHSUCKFAFCW-CQSZACIVSA-N 391.874 3.993 0 40 GHAB COc1cccc(NC(=O)C(=O)NCCC(c2ccccc2)c2ccccc2)c1 10327044 FPJRWXRAWQOKLV-UHFFFAOYSA-N 388.467 3.972 0 40 GHAB Cc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1cccnc1)n1nnnc1N2 10336876 OCHVKAABMKPPQK-FCHUYYIVSA-N 394.438 3.936 0 40 GHAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCC1(c2ccccc2)CC1 11750728 JSZPYZCYCBWIHK-KRWDZBQOSA-N 386.904 3.991 0 40 GHAB CC(C)(C)c1ncc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)cn1 12088081 GLMOFLWUDLJRJR-MRXNPFEDSA-N 389.503 3.924 0 40 GHAB COC(=O)c1c(NC(=O)c2cc(=O)c3ccc(C)cc3o2)sc2c1CCC2 12111562 VBLBMPGQJHSYPC-UHFFFAOYSA-N 383.425 3.691 0 40 GHAB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(C(C)C)cc2)C3)CC1 12182377 NZCDACAWNZHPSG-UHFFFAOYSA-N 380.536 3.688 0 40 GHAB Cc1cc(C(F)F)nn1CC(=O)N[C@H](Cc1ccsc1)c1nccs1 12227002 OJWBACBUUIJXCG-CYBMUJFWSA-N 382.461 3.747 0 40 GHAB CCCCn1c(SCCC(=O)NC(=O)NCc2ccccc2)nc(C)c1C 12520704 XKDXUAPHZCYSEL-UHFFFAOYSA-N 388.537 3.808 0 40 GHAB CSCC[C@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1nc2ccccc2[nH]1 12542524 WOITYJQNRIZULS-INIZCTEOSA-N 384.505 3.935 0 40 GHAB O=C(NCCc1nc2ccccc2[nH]1)c1ccc(COc2ccc(F)cc2)o1 12603555 FGWMIRZDDWCTJA-UHFFFAOYSA-N 379.391 3.847 0 40 GHAB Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1S(=O)(=O)N1CCCCC1 12859736 UOUIXTOYOLMRHJ-KVSKMBFKSA-N 392.565 3.724 0 40 GHAB Cc1nc(C2(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)CCCCC2)no1 12941990 KJGSEHIKABSPGV-UHFFFAOYSA-N 390.292 3.823 0 40 GHAB Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2N)cc1 13576511 ABMKPLDCPFRPDK-JCMHNJIXSA-N 385.467 3.665 0 40 GHAB O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 13655014 MCNSPUOVZMVGAB-GOSISDBHSA-N 381.520 3.788 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711929 UKMIWAYGDDBAIM-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB COc1cccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c1OC(C)C 14010175 MVKBEXLZTSPRRF-LDADJPATSA-N 380.444 3.884 0 40 GHAB COc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OC(C)C 15269343 BIHKTJFLHVUGGS-UHFFFAOYSA-N 395.459 3.533 0 40 GHAB CCCc1cc(O)n2nc(NC(=O)C(c3ccccc3)c3ccccc3)nc2n1 17028670 HZKXKVHCLOGORE-UHFFFAOYSA-N 387.443 3.553 0 40 GHAB CCN(CCO)c1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 17288129 KOAJYUUOYPDUKK-UHFFFAOYSA-N 392.438 3.517 0 40 GHAB COc1ccc(CC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2cc(C)no2)cc1 19121305 RLFBPJWOBLULSV-IBGZPJMESA-N 394.475 3.688 0 40 GHAB CCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccncc3)cc2)(C(=O)NCC)C1 19501206 NYIPJUIMFZCDPF-DEOSSOPVSA-N 393.531 3.836 0 40 GHAB COc1ccccc1-c1noc(CCC(=O)N2CCc3cc(Cl)ccc32)n1 19656257 QKWVLXKAUBSIJP-UHFFFAOYSA-N 383.835 3.921 0 40 GHAB Cc1nc(C2CCN(Cc3ccccn3)CC2)ncc1C(=O)Nc1ccccc1 19764193 PDJSVVAEUZQPPD-UHFFFAOYSA-N 387.487 3.812 0 40 GHAB CCc1nn2c(ncc3c(=O)n(-c4nccs4)ccc32)c1-c1ccc(F)cc1 19821385 RYCRZQVRZGBQEF-UHFFFAOYSA-N 391.431 3.858 0 40 GHAB CCc1c(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cnn1-c1ccccn1 19910337 HLGJMFUNHTWQPQ-UHFFFAOYSA-N 391.435 3.802 0 40 GHAB COc1cc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc(OC)c1OC 20143256 IXYUVIKTTWRLHF-UHFFFAOYSA-N 383.400 3.717 0 40 GHAB O=C(/C=C/c1ccc(OCCCF)cc1)N1CCN(Cc2ccccc2)CC1 20365654 SWRJCXLJNMIGJO-FMIVXFBMSA-N 382.479 3.783 0 40 GHAB Cc1cccc(-n2c3c(c(=O)[nH]c2=S)CN(CCc2ccccc2)CN3)c1 20417662 LGZMQSCFMWYYJY-UHFFFAOYSA-N 378.501 3.631 0 40 GHAB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccco1 20802641 HITBYCKAHSNTPF-RTBURBONSA-N 395.459 3.791 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCc2nc3ccccc3[nH]2)c1 21204548 MJIPPEYOONLBDZ-IBGZPJMESA-N 379.460 3.876 0 40 GHAB Brc1ccc(Cn2c(CN3CCOCC3)nc3ccccc32)cc1 21785181 PSNPZEDDIKYVIQ-UHFFFAOYSA-N 386.293 3.679 0 40 GHAB CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCC(C)CC3)c(O)n2n1 22853356 ALGOBXJTAYYJAV-KRWDZBQOSA-N 386.521 3.889 0 40 GHAB COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 22906872 GETDLLLYFXUAPL-OAQYLSRUSA-N 376.456 3.818 0 40 GHAB Cc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(F)cc4)no3)n2)cc1C 23126880 DNDQSZOFVOJURR-UHFFFAOYSA-N 376.391 3.765 0 40 GHAB COC(=O)c1ccoc1CSc1nnc(N2CCCCC2)n1-c1ccccc1 25143461 ODDXEBLAJFSLNQ-UHFFFAOYSA-N 398.488 3.930 0 40 GHAB O=C(c1ccccc1I)N1CCC[C@@H]1c1ccncc1 27269323 QSZIETTXOKOCGE-OAHLLOKOSA-N 378.213 3.664 0 40 GHAB COc1ccccc1OCC(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C 28289314 MOCVTEQGMLRBTM-IBGZPJMESA-N 384.520 3.791 0 40 GHAB O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cc(=O)c2ccccc2o1 28291701 YQEAOYJFWMKWGI-LJQANCHMSA-N 376.456 3.750 0 40 GHAB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)(C)C 28914987 LCKIGDCZSGWXGK-QGZVFWFLSA-N 394.519 3.656 0 40 GHAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cnc21 32097991 BXJOFJXWVVDKIP-UHFFFAOYSA-N 384.383 3.832 0 40 GHAB CCCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1c(F)cccc1Cl 32681702 PMLKHEDZDFJHKC-UHFFFAOYSA-N 383.872 3.935 0 40 GHAB CC1CCC(NC(=O)C[S@@](=O)Cc2ccc(F)cc2Br)CC1 32765023 WHGCKGZVRLUVDS-AKNQPMRJSA-N 390.318 3.532 0 40 GHAB Cc1nc(-c2ccsc2)sc1C(=O)OCC(=O)Nc1ccnn1C(C)C 32777452 NCCOECNKLIOHMU-UHFFFAOYSA-N 390.490 3.753 0 40 GHAB COC(=O)c1ccc2c(O)nc(CN(C)[C@@H](C)c3ccc(Cl)cc3)nc2c1 32777529 CXBBFWMHUSSVIJ-LBPRGKRZSA-N 385.851 3.968 0 40 GHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(F)cc2cccnc12 32825178 ZFULQLQZPOKZNU-UHFFFAOYSA-N 395.434 3.606 0 40 GHAB O=c1ccn(-c2cccc(F)c2)nc1-c1nc(-c2ccc(F)c(Cl)c2)no1 33300453 GKIJQULBICAWBB-UHFFFAOYSA-N 386.745 3.881 0 40 GHAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)cc1Cl 40086741 PSBCDMPSNZSFLF-UHFFFAOYSA-N 382.869 3.668 0 40 GHAB Cn1ccnc1COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1 40119447 AZVFDIBCYGMTGA-UHFFFAOYSA-N 382.489 3.977 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1c(C)nc2ccccc21 40158946 MHOPRKBRTWJRHN-UHFFFAOYSA-N 378.476 3.530 0 40 GHAB O=C(COc1ccc2c(c1)CCC2)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 48273243 JECLLNVPQLTEGI-QHCPKHFHSA-N 379.456 3.593 0 40 GHAB CCCCOc1cccc(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)c1 48346130 KPBGSVTUHDJHNF-UHFFFAOYSA-N 384.476 3.627 0 40 GHAB Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1ccc(F)cc1)C3 49003161 DRARWXHOSMFJQW-UHFFFAOYSA-N 399.853 3.626 0 40 GHAB CCn1c(CNC(=O)N2CC=C(c3ccc(O)cc3)CC2)nc2ccccc21 54091804 FIMHGETUWMOINL-UHFFFAOYSA-N 376.460 3.761 0 40 GHAB CC[C@@]1(c2ccc(NC(=O)c3ccc4c(c3)CCC4)cc2)CCC(=O)NC1=O 54198910 OGBJYGQUZDDNBP-QHCPKHFHSA-N 376.456 3.512 0 40 GHAB CCS(=O)(=O)Nc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 58023595 JBWGFNKSZFVFPX-UHFFFAOYSA-N 386.395 3.648 0 40 GHAB COc1ccc([C@H](NC(=O)c2ccc([S@@](C)=O)cc2)c2ccccc2)cc1 65552596 FQESAISDXPUHJI-ZBLYBZFDSA-N 379.481 3.952 0 40 GHAB CC(C)CNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 67245601 WLFGSUKMDFAVPP-UHFFFAOYSA-N 386.926 3.612 0 40 GHAB CN(CC(=O)Nc1nc(-c2cccnc2)cs1)c1nc2ccccc2s1 70640822 WMUYBCOTNZFJAG-UHFFFAOYSA-N 381.486 3.890 0 40 GHAB COc1cccc(C(=O)OCc2nn(-c3ccc(F)cc3)c3c2CCC3)c1O 71832932 TVIVEAPPJIYCPV-UHFFFAOYSA-N 382.391 3.571 0 40 GHAB Cc1ccnn1CCC(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 72362548 QVGLPCYWXCMDAR-GOSISDBHSA-N 391.475 3.570 0 40 GHAB COc1ccc(C[C@@](C)(O)CNC(=O)NCc2cccc3ccccc23)cc1 77184900 BTBVRLXNNPLHON-HSZRJFAPSA-N 378.472 3.641 0 40 GHAB COc1ccccc1Cc1noc(C2CN(C(=O)c3ccccc3Cl)C2)n1 77191275 NXKIFLIFUYOQPC-UHFFFAOYSA-N 383.835 3.562 0 40 GHAB CC(C)Oc1cccc([C@@H](O)CN[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 95982941 HRDMPXCLXJXOKI-MDZRGWNJSA-N 380.529 3.789 0 40 GHAB O=C(c1cncc(Br)c1)N1CCC(Oc2ncccc2Cl)CC1 96024770 BHTDFADYEMLUBW-UHFFFAOYSA-N 396.672 3.576 0 40 GHAB O=C(C[C@@H]1CC2(CCN(Cc3ccccn3)CC2)Oc2ccccc21)NC1CC1 96053432 LABPRZYCFGZWBJ-GOSISDBHSA-N 391.515 3.651 0 40 GHAB CO[C@@](C)(CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccccc1F 96123534 VDJQAHCLSLTHPD-NRFANRHFSA-N 385.414 3.657 0 40 GHAB COc1ccc(-c2cc(N3CCN(C(=O)c4cc(C)cc(C)c4)CC3)[nH]n2)cc1 98212530 MOCAKHYUQUKWOS-UHFFFAOYSA-N 390.487 3.665 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)C1[C@@H]2CCCC[C@@H]12 101400853 DBSUFXVEIWFMIA-QZTJIDSGSA-N 376.522 3.626 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 105779214 XMOJOBTYYZKSBH-MLGOLLRUSA-N 380.275 3.789 0 40 GHAB CO[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccccc1Cl 206851561 JLWOYJAXGRPHHR-LJQANCHMSA-N 387.842 3.997 0 40 GHAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 219199854 HRFJWZGAELQTMP-UHFFFAOYSA-N 379.460 3.596 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(N2CCCC2=O)c1 219218052 QOOLCFOCZJYYFE-UHFFFAOYSA-N 396.472 3.587 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)cc(C)c3)n2)cc1 219553985 ZQNQVXHGNSTJBT-INIZCTEOSA-N 395.459 3.788 0 40 GHAB Cc1cc(N2CCN([C@@H](c3ccccc3)c3ccccc3C)CC2)n2ncnc2n1 223477970 IBKGZNNTGRQKNE-QHCPKHFHSA-N 398.514 3.653 0 40 GHAB CCOc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1 223686016 QEUNPROXVWAJOL-UHFFFAOYSA-N 377.506 3.740 0 40 GHAB COC(=O)c1c(NC(=O)c2ccc(C)cc2Cl)sc2c1CCN(C)C2 225002799 YPSBIIDSKFCOGZ-UHFFFAOYSA-N 378.881 3.737 0 40 GHAB COc1ccc([C@@H](CNC(=O)[C@H]2C[C@H]3C=C[C@H]2C32CC2)N2CCCC2)cc1OC 248138595 PLUXIVOCQBOAPH-IYWMVGAKSA-N 396.531 3.559 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N2CCC(F)(F)CC2)[C@@H]1c1cccc(Cl)c1 257204103 ATBJJKPEVCITFW-WBVHZDCISA-N 384.854 3.897 0 40 GHAB O=C(c1cccc(O)n1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257285643 PIDBYTBXVXKHHT-KRWDZBQOSA-N 383.835 3.997 0 40 GHAB CC(C)(C)C(=O)N1CCC(Cc2ccnc(-c3cncc(C(=O)O)c3)c2)CC1 257322795 WHKUNTBNVVSYES-UHFFFAOYSA-N 381.476 3.669 0 40 GHAB Cc1ccc(C(=O)N2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 306142472 XAHCMMHBLYMMDW-FQEVSTJZSA-N 383.455 3.729 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3cccs3)C[C@H]2N1Cc1ccc(F)cc1 306144472 ZGCTZEIPAMHXRI-WOJBJXKFSA-N 381.476 3.770 0 40 GHAB O=C(CN1CCC(C(=O)O)(c2ccccc2)CC1)Nc1cccc2ccccc12 408547044 QWMHBZLDYRFANY-UHFFFAOYSA-N 388.467 3.897 0 40 GHAB O=C1CN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c2ccccc2N1 408575359 KHCQDBGHUCSUNI-UHFFFAOYSA-N 397.478 3.844 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)c(C)c1 408664059 YPZSQKIMVDYOBF-MRXNPFEDSA-N 385.847 3.736 0 40 GHAB CCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1C 408707440 AYBGQFWLHWBRNW-UHFFFAOYSA-N 395.503 3.560 0 40 GHAB CC1CCN(C(=O)c2ccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)cc2)CC1 408720879 ACRWAOCWIFJLMH-JPYJTQIMSA-N 382.504 3.874 0 40 GHAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@H]1CCc3cnn(C(C)C)c3C1)C2 574853677 ZWRCHLJNUUUHJH-SFHVURJKSA-N 394.519 3.587 0 40 GHAB Clc1cccc(N2CCOCC2)c1CNCc1ccc(OCC2CC2)nc1 585085902 NBSFGDZMGPBRAC-UHFFFAOYSA-N 387.911 3.650 0 40 GHAB COc1ccc([C@@H]2OCC[C@H]2NC(=O)Nc2cccc(C3CCOCC3)c2)cn1 585123702 XJLYGDRAEKZMBN-CTNGQTDRSA-N 397.475 3.636 0 40 GHAB Cc1ccccc1CCc1nc(N2CCc3ccccc3CC2)ncc1C(=O)O 585266268 BOBMRPHUVPYNSG-UHFFFAOYSA-N 387.483 3.874 0 40 GHAB NC(=O)Nc1ccc(CNc2nc(-c3ccccn3)nc3sccc23)cc1 1611766634 YWAMHAGKGLUONC-UHFFFAOYSA-N 376.445 3.856 0 40 GHAB FC(F)(F)c1cc(N2CCN(Cc3cc(C4CC4)on3)CC2)nc(C2CC2)n1 1888860340 BCFXMIJWTPWQSD-UHFFFAOYSA-N 393.413 3.560 0 40 GHAB FC(F)(F)c1ccnc(N2C[C@@H]3CCN(c4nc5cnccc5s4)[C@H]3C2)c1 1889202465 YEJOVKJHSQCYMC-FZMZJTMJSA-N 391.422 3.820 0 40 GHAB Cc1csc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2)C3)c1 2055793590 ZWABHSQARLOHHM-UHFFFAOYSA-N 386.492 3.851 0 40 GHAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C[C@@H]1O 2332242703 JORMFDBPQHTTJB-WKZKVMAPSA-N 379.479 3.928 0 40 GHAB CC(C)CNC(=O)c1cc(=O)c(OCc2ccc(Cl)cc2Cl)cn1C 61720873 SQJIKNHAQOCOJK-UHFFFAOYSA-N 383.275 3.657 0 40 GHAB Cc1cccnc1NC(=S)NC(=O)c1cc(Br)ccc1Cl 724298 QWLYXOYTJCRAKG-UHFFFAOYSA-N 384.686 3.933 0 40 GHAB C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(-n2cncn2)cc1 12593526 YPNXFQUYHOVCGJ-ZDUSSCGKSA-N 395.513 3.872 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2C)cc1 894668 CGEAWXDNEUSXAB-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB Cc1nc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cs1 78993362 BANJXNKXSYFVHO-UHFFFAOYSA-N 378.519 3.951 0 40 GHAB Cn1cc(Nc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)cn1 79105825 FAYPKVMNUGHGRU-UHFFFAOYSA-N 396.394 3.983 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1C(=O)N[C@]2(c3ccccc3)C[C@H]1c1ccccc1O2 2129673 FTBQIMXPMGDEID-XZDHIHRUSA-N 384.435 3.790 0 40 GHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(-c3ccc(Cl)s3)cs1)CS2 23681834 VTWZTGIMMBIBDE-RFAUZJTJSA-N 399.950 3.918 0 40 GHAB C[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)C1 12557246 VUXMSPMSFOOOBM-LCJXNMAOSA-N 384.501 3.971 0 40 GHAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCCC[C@H]3C)c2C1 3481936 SPERYAGBPSLMRY-JKSUJKDBSA-N 380.488 3.917 0 40 GHAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(Cc2ccsc2)CC1 23995763 PXMFWAFKGVSCES-UHFFFAOYSA-N 392.528 3.769 0 40 GHAB CC[C@H](C)C(=O)O[C@@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 4029294 GVBNSPFBYXGREE-ZKWAXGPOSA-N 388.416 3.526 0 40 GHAB biogenic,in-man COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1 4161426 OTNSMZRSMCHOSW-UHFFFAOYSA-N 379.482 3.543 0 40 GHAB CCOC(=O)c1c(NC(=O)COC(=O)C2CC2)sc(-c2ccccc2)c1C 6058459 PDFPUTAUAUNJDM-UHFFFAOYSA-N 387.457 3.792 0 40 GHAB CCNc1c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c(=O)oc2ccccc12 6784667 SHJUXSYLXDPAPP-UHFFFAOYSA-N 398.484 3.904 0 40 GHAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc3ccccc23)c1 7389467 SWCMOSUPRUDRRI-UHFFFAOYSA-N 390.439 3.715 0 40 GHAB CCCc1noc(CSc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)n1 25047957 YRXFFNJSGXJGLI-UHFFFAOYSA-N 393.472 3.717 0 40 GHAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 1425989 NKUJFIDNNJMLPS-UHFFFAOYSA-N 381.453 3.526 0 40 GHAB CCCCc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 8073994 BDAOGOMCGBITNX-OAHLLOKOSA-N 386.517 3.992 0 40 GHAB O=C(CCNC(=O)c1ccccc1)Nc1nnc(-c2ccccc2Cl)s1 56249107 GMDFTXRJPMXIJM-UHFFFAOYSA-N 386.864 3.617 0 40 GHAB CSc1ncccc1C(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1 3288608 UHPBQYGDCHSMDX-UHFFFAOYSA-N 385.470 3.723 0 40 GHAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN(C/C=C/c2ccccc2)CC1 21841915 ZETRQNCQVQSOHP-WUTDNEBXSA-N 395.522 3.504 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)NC[C@@H]1CCN(c2ccccc2)C1 48220513 CRFCTFJQLFXGCC-FQEVSTJZSA-N 392.547 3.608 0 40 GHAB Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O 22273553 RAPFMCFTDHHTAA-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB CN(CCC(=O)Nc1ccccc1F)CC(=O)Nc1ccccc1C(F)(F)F 12743713 FNMCKSAIFONETJ-UHFFFAOYSA-N 397.372 3.744 0 40 GHAB CC(C)c1ncc(Cl)c(C(=O)NC2CCN(Cc3ccccc3F)CC2)n1 58423474 QGJGTFHEJMLVSG-UHFFFAOYSA-N 390.890 3.787 0 40 GHAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(OCC(N)=O)cc3)cc2)cc1 10632395 OIAFOFICRBSTIO-UHFFFAOYSA-N 376.412 3.904 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1 12782958 DPJLKXNOTHGIFT-UHFFFAOYSA-N 380.425 3.784 0 40 GHAB C[C@H](OC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(N(C)C)cc1 11069251 NGXBDLLZPIPFID-ZDUSSCGKSA-N 394.393 3.884 0 40 GHAB COc1ccccc1Oc1ccc(NC(=O)Nc2ccn(CCN(C)C)n2)cc1 97164630 GBTOZYXSLBWCOP-UHFFFAOYSA-N 395.463 3.890 0 40 GHAB Cc1ccc(Nc2nnc(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)s2)cc1C 3307635 BGRJBFMWWDISMJ-KBPBESRZSA-N 392.550 3.626 0 40 GHAB O=C(COC(=O)[C@@H]1CCCO1)Nc1cc(Cl)ccc1Oc1ccccc1 3355608 SCXYATLCLLUILT-KRWDZBQOSA-N 375.808 3.793 0 40 GHAB Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl 11479640 FDNAMHOVPQXROU-UHFFFAOYSA-N 380.897 3.896 0 40 GHAB Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)c3ccc(F)c(F)c3)CC2)c1 29440033 MQTFEWCRDQGXRT-QGZVFWFLSA-N 387.474 3.604 0 40 GHAB O=C1CCSc2ccc(C(=O)Nc3ccc(Oc4cnccn4)cc3)cc2N1 46721923 KCUNEWFVRBFTPP-UHFFFAOYSA-N 392.440 3.956 0 40 GHAB Cc1ccc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)cc1NC(=O)c1ccco1 3449193 OHEKHSMCXULTHL-PBHICJAKSA-N 398.459 3.692 0 40 GHAB COc1ccccc1[C@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)N(C)C 3566588 VJROEDTXQOSCOI-SFHVURJKSA-N 398.894 3.609 0 40 GHAB COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)c(OC)c1 9175853 ZCHYFJDVYVTNGW-UHFFFAOYSA-N 384.413 3.808 0 40 GHAB CCOC(=O)c1cnc(SCSc2nc3ccccc3s2)nc1N 3645039 WUQOTAORNZVATK-UHFFFAOYSA-N 378.504 3.687 0 40 GHAB Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3ccccc3)s2)CC1=O 9199218 YEWXWCBEWOOJBI-HNNXBMFYSA-N 378.457 3.619 0 40 GHAB COc1cc(NC(=S)NC(=O)CC(C)C)ccc1NC(=O)c1cccs1 408626412 HBWYNWDTDKCIJA-UHFFFAOYSA-N 391.518 3.868 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(F)cc2)c1 9237670 LWNYAJZTPZZSKO-ROUUACIJSA-N 397.479 3.740 0 40 GHAB CCc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(C)cc2)cc1 9237357 ODHHOGODVRACHM-RBUKOAKNSA-N 393.516 3.855 0 40 GHAB O=C(O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 20061331 ORCLEHGFDKZGMK-UHFFFAOYSA-N 394.663 3.927 0 40 GHAB Cc1cc(C)c(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c(Cl)c1 6111722 YVONOUWLUWLBKO-UHFFFAOYSA-N 387.892 3.856 0 40 GHAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(OCC)c2)c1 6240626 IVLVJPBIHFECIV-UHFFFAOYSA-N 385.489 3.951 0 40 GHAB Cc1c(C)c2cc(Cl)c(O[C@H](C)C(=O)NCc3ccccn3)cc2oc1=O 5267328 IPGGKAQJLRTMBC-CYBMUJFWSA-N 386.835 3.542 0 40 GHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1[nH]c2c(c1C)C(=O)CCC2 65474419 LAHONDSSHDKSMZ-UHFFFAOYSA-N 376.416 3.985 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 6328807 LWEJBECPJYRTJC-UHFFFAOYSA-N 393.795 3.759 0 40 GHAB COc1cccc([C@H](O)CN(Cc2ccccc2)Cc2nc(C)ccc2O)c1 93866591 KRSGPTFGWIQJLE-HSZRJFAPSA-N 378.472 3.840 0 40 GHAB COc1ccc(C(C)=O)cc1CSCC(=O)Nc1cccc(NC(C)=O)c1 14105325 BZIOWZYFIVFGFP-UHFFFAOYSA-N 386.473 3.728 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc1OC 6407164 GINATRZLKDBZFN-RMKNXTFCSA-N 389.835 3.861 0 40 GHAB COc1ccc2c(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)coc2c1 6646985 LNOQKUDLWAANJY-UHFFFAOYSA-N 384.457 3.662 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)c(C)c1 6720857 NINQFZACAZZBDC-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(Cl)cc2)n2nnnc2N1 4878711 XRURZOFQMOIISC-GOSISDBHSA-N 394.866 3.871 0 40 GHAB COc1ccc(C(C)=O)cc1Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 4932635 ANYNQUHFVUKYOF-UHFFFAOYSA-N 376.338 3.618 0 40 GHAB COc1ccccc1CCC(=O)Nc1nc2ccccc2nc1N1CCCC1 9503839 GSGXTYQITXCFGP-UHFFFAOYSA-N 376.460 3.810 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)no1 7201941 FIRFIXFBZRHFPN-CYBMUJFWSA-N 395.444 3.943 0 40 GHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(C)cc2)cc1 9584275 QAOXNQQXYZHXPM-LJQANCHMSA-N 375.432 3.523 0 40 GHAB Cc1ccc(-c2nc(C[S@](=O)CC(=O)NCc3cccs3)cs2)cc1 71801252 BXQLLSKXRQRGGQ-RUZDIDTESA-N 390.555 3.745 0 40 GHAB CCCCc1nc2ccccc2n1CC(=O)Nc1ccccc1C(=O)NC1CC1 7979525 HXXBJNRHRVYHOI-UHFFFAOYSA-N 390.487 3.910 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1OC 408699372 WMNLZAPDGQYDPD-UHFFFAOYSA-N 376.478 3.770 0 40 GHAB CCOc1ccccc1/C=c1\sc2nc(/C=C/c3ccc(C)cc3)nn2c1=O 16735422 IMKRYUUAUHRAKP-OZGAEJQKSA-N 389.480 3.576 0 40 GHAB COc1ccc(CNC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 8394927 CCYBAHCVGWRFLT-UHFFFAOYSA-N 396.487 3.778 0 40 GHAB CCOCCCC(=O)O[C@H](CC(=O)OCC)c1ccc(Br)cc1 95444252 AOTOSABVJBJYMZ-OAHLLOKOSA-N 387.270 3.803 0 40 GHAB Cc1ccc(CNC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)cc1 20767991 UVWNFDMXBORGMU-UHFFFAOYSA-N 389.480 3.970 0 40 GHAB O=C(c1cccs1)N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 8869733 QHFMCVGCCDJPDE-QGZVFWFLSA-N 385.510 3.731 0 40 GHAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(Cl)c2c(c1)OCCCO2 8847938 JNCFUOGAPOMEHD-UHFFFAOYSA-N 375.808 3.915 0 40 GHAB Cc1nc(-c2cccs2)ccc1C(=O)NCC(=O)N1CCCc2ccccc21 84040869 AZJGZKGJPAXSOL-UHFFFAOYSA-N 391.496 3.828 0 40 GHAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3N3CCCN23)cc1 19169254 YBTVMJIMSMRMBB-ZLNRFVROSA-N 397.478 3.684 0 40 GHAB O=C(CNc1nc(Cl)nc2[nH]cnc12)Nc1ccc(Oc2ccccc2)cc1 8992456 KZPVHKABDQXEQV-UHFFFAOYSA-N 394.822 3.849 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NC1CCCCCC1 408977959 GHWWYTAAEJWAHO-IBGZPJMESA-N 390.524 3.936 0 40 GHAB COc1ccc2sc(C(=O)Nc3ccc(CN4CCOCC4)cn3)c(C)c2c1 95976315 MZFUYUGOBVJIGV-UHFFFAOYSA-N 397.500 3.698 0 40 GHAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)CCC(C)=O 95979867 VCQRYZKMUYGSRW-UHFFFAOYSA-N 377.444 3.599 0 40 GHAB CN(Cc1nccn1C(F)F)C(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 95993071 LSXZJBNYHOBADV-OAHLLOKOSA-N 391.466 3.743 0 40 GHAB O=C(NC(=S)NCc1ccco1)c1cccc2c(Br)cccc12 408627977 OXMQHANMWUYCPN-UHFFFAOYSA-N 389.274 4.000 0 40 GHAB O=C(CCc1ccccc1)N1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1 72377696 SAMHEANOMPIRNI-LJQANCHMSA-N 388.475 3.697 0 40 GHAB CSc1nc(C)c(CCC(=O)OCc2nnc(-c3ccccc3)o2)c(C)n1 7436384 WFBFPYZKQQUWPH-UHFFFAOYSA-N 384.461 3.541 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1cccs1 56945561 FBMXGNZSVUGCAB-GOSISDBHSA-N 399.491 3.774 0 40 GHAB O[C@@H](c1ccccn1)c1cccc(F)c1N1CCN(Cc2ccc(F)cc2)CC1 72340695 PCLGYBBGTFITHW-HSZRJFAPSA-N 395.453 3.764 0 40 GHAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc2nc(C(F)(F)F)[nH]c2c1 79190030 LRGXBACMFBZHTC-XJKSGUPXSA-N 380.414 3.576 0 40 GHAB biogenic CN(Cc1c(C(=O)O)sc2cccc(F)c12)[C@H]1CCCC[C@H]1S(C)(=O)=O 566363134 XASHCWXMWQRJTE-DZGCQCFKSA-N 399.509 3.526 0 40 GHAB S=C(NCc1ccccc1CN1CCOCC1)Nc1ccc(Cl)cc1 38561207 SZIJHUXLFDOVJA-UHFFFAOYSA-N 375.925 3.659 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Oc2cccc3ccccc23)c(OC)c1OC 219037472 KFKUDAWTZPAVQH-HNNXBMFYSA-N 395.455 3.949 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219375126 DQOFOQPSHIENLK-KRWDZBQOSA-N 387.476 3.803 0 40 GHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 225733958 DQNXAEMEPNMWMH-JOCHJYFZSA-N 390.524 3.858 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccc(SCC(=O)NC(C)(C)C)cc1 223397082 JVQQHZJCVRTLOH-UHFFFAOYSA-N 392.546 3.519 0 40 GHAB S=C(NCc1ccccc1)Nc1nc(Cl)cc(Sc2ncccn2)n1 225929840 HUEPCXQLAGTRHO-UHFFFAOYSA-N 388.909 3.558 0 40 GHAB Cc1cccc(N(CCCC(=O)NC2CCCCCC2)S(C)(=O)=O)c1C 225675681 LTRUXCAXJWICPF-UHFFFAOYSA-N 380.554 3.689 0 40 GHAB CCN(c1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1)S(=O)(=O)CC 222398826 WXSKZDLMGCCDSW-KRWDZBQOSA-N 388.533 3.614 0 40 GHAB O=C(Cc1csc(Nc2ncccn2)n1)Nc1cccc(C(F)(F)F)c1 49029391 CNPUGZVXAOLRKJ-UHFFFAOYSA-N 379.367 3.877 0 40 GHAB CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223349813 DKEYRZHKGQERBH-JOCHJYFZSA-N 396.531 3.955 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(CC)cc1 224213603 XTMZGBHVCDBFQE-JOCHJYFZSA-N 396.531 3.880 0 40 GHAB O=C(Nc1ccccc1)C1=NO[C@]2(CCCN(C(=O)Nc3cccc(F)c3)C2)C1 96225206 VFXFESWOHIWOMQ-OAQYLSRUSA-N 396.422 3.607 0 40 GHAB COc1ccccc1CNC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 96112923 BCVFNXSAHMPLNN-SFHVURJKSA-N 383.879 3.901 0 40 GHAB biogenic,in-vitro COCCOc1ncccc1NC(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 626358444 LCJHLTHLSHEPQH-HNNXBMFYSA-N 391.418 3.797 0 40 GHAB O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)c1ccc2c(c1)OCCCO2 617116350 CUIZINHWUNTMLR-HNNXBMFYSA-N 386.879 3.758 0 40 GHAB COc1cc(CCC(=O)N2CC(C)(C)Oc3cc(Br)ccc32)on1 622986753 JCIPOLIUJFAXQS-UHFFFAOYSA-N 395.253 3.583 0 40 GHAB CO[C@@H]1CCN(c2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)C1 96122275 UAMRDBZLHXLLNW-GOSISDBHSA-N 389.293 3.855 0 40 GHAB Clc1ccc(OCCSc2nc3ncccn3n2)c(Br)c1 29918930 YVOLODYYDAQWCV-UHFFFAOYSA-N 385.674 3.711 0 40 GHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccc(OCCn3cncn3)c2)o1 40139144 IHYZULRBGAFCGS-DGOSOICDSA-N 378.432 3.725 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)cc(C(=O)O)c1C 509378050 IUMADBGPZBOKCS-UHFFFAOYSA-N 388.367 3.525 0 40 GHAB CCCC[C@H](NC(=O)CCC(=O)c1ccc(OC)c(F)c1)C(=O)OC(C)(C)C 95943405 NOCDCJQZHOGEHE-INIZCTEOSA-N 395.471 3.814 0 40 GHAB CC1(C(=O)N2CCC(c3cc(C4CCNCC4)[nH]n3)CC2)CCC(F)(F)CC1 638355489 HZDGSZVWJFMOHV-UHFFFAOYSA-N 394.510 3.798 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)ccc1O 6049534 ZDMQZORUEYUTAQ-CZZGZFINSA-N 390.476 3.961 0 40 GHAB CCOC(=O)c1c(N)oc2c1[C@H](c1ccccc1)S(=O)(=O)[C@H]2c1ccccc1 5473966 ZAKUOHUGIIVXFF-OALUTQOASA-N 397.452 3.646 0 40 GHAB O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)[C@H]1COc2ccccc2O1 5776574 GEPADEUZSOYGKL-OAHLLOKOSA-N 387.848 3.561 0 40 GHAB Cc1cc2nc(C3CCN(C(=O)c4cscn4)CC3)cc(C(F)(F)F)n2n1 12186720 ABWLSAAONHYRNG-UHFFFAOYSA-N 395.410 3.533 0 40 GHAB Cc1cc(C(F)F)nn1CC(=O)N[C@@H](Cc1ccsc1)c1nccs1 12226993 OJWBACBUUIJXCG-ZDUSSCGKSA-N 382.461 3.747 0 40 GHAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@H]3NC(=O)CC(C)(C)C)C[C@@H](C)O1 12240647 WYPQXRTVTDZDGK-BFYDXBDKSA-N 388.556 3.656 0 40 GHAB Cc1cc(C)n(C[C@H](O)CN(Cc2ccco2)Cc2cccc3ncccc23)n1 13992005 CCYMSFZFRCDOHI-HXUWFJFHSA-N 390.487 3.704 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1 14400333 NNOFJAKAXNTKRB-UHFFFAOYSA-N 382.460 3.732 0 40 GHAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2nn(C)cc2-c2cc(C)no2)c1 19121320 RUVGWHPOJZSDBV-LJQANCHMSA-N 394.475 3.688 0 40 GHAB Cc1cccc(O[C@H](C)c2nnc(NC(=O)[C@H]3CN4CCC3CC4)s2)c1C 19235681 XPZRZGNRYNRLQG-ZBFHGGJFSA-N 386.521 3.575 0 40 GHAB O=C1CN(Cc2c(C(F)(F)F)[nH]c3ncccc23)CCN1C1CCCCC1 19345127 DUCBYRQLVDRUML-UHFFFAOYSA-N 380.414 3.559 0 40 GHAB COCC(=O)N1CCCCCCCNCc2cc(-c3c(C)noc3C)ccc21 643589558 WNTFMUBCUDTNHH-UHFFFAOYSA-N 385.508 3.992 0 40 GHAB Cc1cc(NC(=O)Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)no1 5263732 ULOVQUVLWFSMJU-UHFFFAOYSA-N 394.456 3.677 0 40 GHAB Cc1ncnc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)c1C 1888853168 HIVHPYFWESXQSI-UHFFFAOYSA-N 379.430 3.860 0 40 GHAB O=C(NCCc1cccs1)c1ccc(Cl)cc1I 32477966 UHGSDFIWTYZBJC-UHFFFAOYSA-N 391.661 3.979 0 40 GHAB O=C(COc1ccc2ccccc2c1)N1CCN=C1SCc1cccnc1 4061198 MABNFZHBOYKGDL-UHFFFAOYSA-N 377.469 3.745 0 40 GHAB Cc1cc(C)c2sc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)nc2c1 4304202 XBPIYMDVIQRSNV-UHFFFAOYSA-N 394.544 3.942 0 40 GHAB COc1cccc2sc(N3CCN(C(=O)CCc4ccccc4)CC3)nc12 5181758 VVTKYXUTSRHWJH-UHFFFAOYSA-N 381.501 3.586 0 40 GHAB O=c1c(SCc2cccc(Cl)c2)nccn1-c1ccc2c(c1)OCCO2 9753210 QHWPYYKKPBJODF-UHFFFAOYSA-N 386.860 3.949 0 40 GHAB Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC[C@H](C)C3)c(O)n2n1 22626117 PWIDUHAKVSKNCP-BONVTDFDSA-N 378.448 3.904 0 40 GHAB Cn1nc(-c2cccs2)cc1CNC(=O)c1ccc(OC(F)(F)F)cc1 1775966457 FRZLUPNLIIUWHB-UHFFFAOYSA-N 381.379 3.977 0 40 GHAB CCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O 100205681 KGNXBHGLNZOQOK-BBWFWOEESA-N 391.254 3.860 0 40 GHAB COc1ccccc1-c1nnc(C2CCN(C(=O)c3cc(C)on3)CC2)s1 35596999 QKDZHWHBIYPNBG-UHFFFAOYSA-N 384.461 3.530 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)N1CCS[C@@H](c2cccs2)CC1 219537628 CTUAWDRQZBHFCX-QGZVFWFLSA-N 376.503 3.867 0 40 GHAB Cc1nn(CCNC(=O)c2ccc3nsnc3c2)c(C)c1-c1ccsc1 575616112 WSEGLUYGYOWWGS-UHFFFAOYSA-N 383.502 3.663 0 40 GHAB CN(C)[C@H](CNS(=O)(=O)c1ccccc1Cl)c1cc2ccccc2o1 575622213 XUSXGQIADIQHLE-OAHLLOKOSA-N 378.881 3.667 0 40 GHAB COc1ccc(-c2ccccc2NC(=O)CCc2c(C)nc(N)nc2C)cc1 19665433 JKEAFBVKAQHDCU-UHFFFAOYSA-N 376.460 3.923 0 40 GHAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(Br)o1 70639990 DOTNVPBWYCDDRJ-JTQLQIEISA-N 378.144 3.524 0 40 GHAB Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](c1ccccc1)c1nccn1C 40062739 VALQQXXFJHHGGN-KRWDZBQOSA-N 378.457 3.964 0 40 GHAB COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 31903830 VOAGCLVGCALNGH-GWCFXTLKSA-N 376.316 3.623 0 40 GHAB O=C(Nc1ccc(N2CCOCC2)cc1)Nc1cccc(Br)c1 51354390 BSLRXWUAGHECNZ-UHFFFAOYSA-N 376.254 3.930 0 40 GHAB COC(=O)CCNC(=O)c1cc(-c2ccccn2)nc2ccc(C(C)C)cc12 32094894 LDAWQOVHLVEWOQ-UHFFFAOYSA-N 377.444 3.713 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCCc3nc(-c4ccccc4)no3)no2)cc1C 32593820 YPDDDGHRNZWFAP-UHFFFAOYSA-N 388.427 3.981 0 40 GHAB O=C(NCc1ccco1)Nc1ccc(NC(=O)c2cnc3ccccc3n2)cc1 21209498 KXNKSFTXAIYWNR-UHFFFAOYSA-N 387.399 3.797 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)NCCSCc1ccccc1F 32736756 HSXYXRDYGXGMME-UHFFFAOYSA-N 388.464 3.563 0 40 GHAB C[C@H]1CN(c2ccc(CNC(=O)CCc3ccccc3Cl)cn2)C[C@H](C)O1 32930464 FMKSEMAJMAUTSI-HOTGVXAUSA-N 387.911 3.598 0 40 GHAB CCC(C)(C)C1CCC(NC(=O)c2ccccc2N(C)S(C)(=O)=O)CC1 32900435 MWEPERHKUYZYOC-UHFFFAOYSA-N 380.554 3.807 0 40 GHAB O=C(CCc1nnc(-c2ccsc2)o1)N[C@H]1CCCOc2ccc(F)cc21 53367613 IHCFBELQXCLEOO-HNNXBMFYSA-N 387.436 3.900 0 40 GHAB O=C(CN1CCN(CCc2ccccc2)CC1)Nc1ccc(Cl)cc1Cl 22912599 FSCJSNORWCQKDY-UHFFFAOYSA-N 392.330 3.792 0 40 GHAB Cc1cc2cc(CN(C(=O)c3cnccn3)C3CCCCC3)c(=O)[nH]c2cc1C 1366536 KSCVITKZLRVCDF-UHFFFAOYSA-N 390.487 3.910 0 40 GHAB COC(=O)CSc1nnc2c3c4c(sc3nc(C(C)C)n12)C[C@H](C)CC4 1376523 ADRZWNQIPXXLNU-SNVBAGLBSA-N 390.534 3.852 0 40 GHAB CCOC(=O)[C@@](C)(Cc1ccccc1)NC(=O)c1cc(C)n(CC2CC2)c1C 78878616 FPGPJZYZCWUUJX-HSZRJFAPSA-N 382.504 3.809 0 40 GHAB Cn1cc([C@@H]2SCC(O)=Nc3c2cnn3-c2ccc(Cl)cc2F)cn1 79488248 ZHWPJHHOVHMNQX-HNNXBMFYSA-N 377.832 3.823 0 40 GHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 23507181 MTJSWPYZOLJZPH-KBPBESRZSA-N 376.403 3.799 0 40 GHAB CCCn1nc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c2ccccc2c1=O 23763874 VNYBDYGXVKMYNO-CYBMUJFWSA-N 385.414 3.918 0 40 GHAB CC(C)CCNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 3513460 UASAFDRPYDKIJO-UHFFFAOYSA-N 387.863 3.890 0 40 GHAB CCOC(=O)c1c(NC(=O)N2CCN(c3ccccc3)CC2)sc(C)c1C 24562477 IDPKOYQLTJDHMZ-UHFFFAOYSA-N 387.505 3.896 0 40 GHAB CC1(C)Oc2ccc(C(=O)NC3CC3)cc2N(Cc2ccccc2Cl)C1=O 4965785 CVRUWGGYRGAPDR-UHFFFAOYSA-N 384.863 3.936 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 6945322 BTSOIOHOSLVKHL-MRXNPFEDSA-N 392.496 3.634 0 40 GHAB Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 6959471 XNBADLLJSZNNCN-UHFFFAOYSA-N 378.501 3.755 0 40 GHAB O=C(Nc1ccccc1O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 24774989 GUOQUTIEURVKQE-UHFFFAOYSA-N 386.879 3.856 0 40 GHAB Cc1[nH]c2ccc(C(=O)N(C)CC(=O)Nc3ccc(F)c(F)c3F)cc2c1C 7988195 WOEOZNGURXMMAW-UHFFFAOYSA-N 389.377 3.913 0 40 GHAB Nc1cc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)ccc1Cl 3296092 LGCWMBVUQFLQQC-UHFFFAOYSA-N 394.858 3.985 0 40 GHAB Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1CCc1cccs1 8232180 HKUODGOWXYESMB-UHFFFAOYSA-N 387.534 3.706 0 40 GHAB O=C(CNc1nc(C(F)(F)F)nc2ccccc12)Nc1ccc(F)c(F)c1 8325952 XTVHOJKAXPDFOD-UHFFFAOYSA-N 382.292 3.977 0 40 GHAB CCOc1ccc([C@H](C)NC(=O)[C@H]2CCCCN2C(=O)C(C)C)cc1OCC 54945747 MDSKKSFXKUTACW-FUHWJXTLSA-N 390.524 3.698 0 40 GHAB COc1cccc(-c2n[nH]c3c2[C@H](c2cccc(Br)c2)NC3=O)c1 1404860 WZJIUVGNNOPSDH-HNNXBMFYSA-N 384.233 3.681 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)Cc4ccccc4)cc3)C(=O)[C@@H]2C1 1453851 ZVSKWBTWFREMIV-VQTJNVASSA-N 375.424 3.680 0 40 GHAB CC(C)CC(=O)Nc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1 25756511 LQQMVZGNOPHHOX-UHFFFAOYSA-N 397.500 3.749 0 40 GHAB Cc1cc(=O)c(C(=O)N(C)c2nc3ccccc3s2)nn1-c1ccccc1F 26966058 XWXFYASVJOUIBB-UHFFFAOYSA-N 394.431 3.566 0 40 GHAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102178653 SYVGAJWHGROYRF-FJIDUMEYSA-N 394.452 3.780 0 40 GHAB O=C([C@@H](NCc1nc(-c2cccs2)no1)c1ccccc1)N1CCCCC1 58297602 RJOZKKPGYWZMHB-SFHVURJKSA-N 382.489 3.642 0 40 GHAB CCC[C@@H](C)NC(=O)C1=C(c2ccccc2)c2ccccc2N(C)S1(=O)=O 20063449 YXAGQMDAKZYVDL-OAHLLOKOSA-N 384.501 3.530 0 40 GHAB COc1ccc([C@@H](CNC(=O)COc2cccc(Cl)c2)N2CCCC2)cc1 27744207 XWHYAGLMYUDEEM-HXUWFJFHSA-N 388.895 3.681 0 40 GHAB CCOC(=O)Cc1csc(S[C@H](C)C(=O)N2CCCc3ccccc32)n1 3373703 VFQJKOPXBRUYKH-CYBMUJFWSA-N 390.530 3.709 0 40 GHAB Cc1nc2sc3c(c2c2nc(-c4ccccc4C(=O)O)nn12)CC(C)(C)OC3 2350221 QVIYRYUYIYMADR-UHFFFAOYSA-N 394.456 3.864 0 40 GHAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 24705546 NSFDTEXKSUGKJN-KRWDZBQOSA-N 386.879 3.820 0 40 GHAB CCN1CCc2c(sc(NC(=O)Nc3cccc(Cl)c3)c2C(N)=O)C1 2777265 SMSPYVXWBIYNSG-UHFFFAOYSA-N 378.885 3.522 0 40 GHAB O=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1ccc(F)c(F)c1F 13263018 IAGAWABWXFZVMI-UHFFFAOYSA-N 381.331 3.756 0 40 GHAB CCN(C(=O)Oc1ccccc1)c1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1 4016954 YDSQXYUHHFTNQE-SFHVURJKSA-N 397.349 3.635 0 40 GHAB NC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 39978218 MQSJZDQPEAFQDG-UHFFFAOYSA-N 377.366 3.657 0 40 GHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)C1 14129445 ZHPXVCWCKDMJGP-GASCZTMLSA-N 390.480 3.745 0 40 GHAB CC(=O)c1cc(Br)ccc1OCC(=O)N(C)Cc1ccsc1 14116763 AOXLIWMLJDQYKR-UHFFFAOYSA-N 382.279 3.751 0 40 GHAB C[C@@H](NC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N2CCOC2=O)cc1 65992932 LKYDPRDHUBJNCR-SNVBAGLBSA-N 379.338 3.943 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)/C=C/c1nc2ccccc2s1 6589461 QVILORQTPQWOHO-CMDGGOBGSA-N 384.457 3.652 0 40 GHAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccccc1 5570268 VJVLCPXNGKDMKR-AWEZNQCLSA-N 375.380 3.994 0 40 GHAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2cc(Br)ccc21 4784298 DMMHANPSIRPGIM-LJQANCHMSA-N 388.261 3.666 0 40 GHAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(COc2ccccc2Cl)o1 6760425 NNQOHDHHGCJBDY-UHFFFAOYSA-N 395.806 3.740 0 40 GHAB Cc1ccc(N2C(=O)/C(=C\NC3CCC(O)CC3)c3ccccc3C2=O)c(C)c1 6706642 VEUXLDWBYAOHOM-STZFKDTASA-N 390.483 3.724 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 6811809 NMZDATMDADRZHC-RBUKOAKNSA-N 393.516 3.855 0 40 GHAB COc1cc(OC)c(OC)cc1C[C@@H]1C(=O)Nc2ccc(Br)cc21 15017156 FQQIIARYIIKEMG-ZDUSSCGKSA-N 392.249 3.753 0 40 GHAB COCCn1ccc2ccc(C(=O)Nc3cc(NC(C)=O)ccc3OC)cc21 96231210 VEEYUFWZTVERLW-UHFFFAOYSA-N 381.432 3.507 0 40 GHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(F)cc1Br 6988463 ITGDCYIGDPRLSF-UHFFFAOYSA-N 377.213 3.967 0 40 GHAB Cc1nc(SCC(=O)Nc2ccc(C(N)=O)cc2)n(C2CCCCC2)c1C 6973263 CBAVCSHRXOVXNS-UHFFFAOYSA-N 386.521 3.835 0 40 GHAB Cc1cccc2c(=O)[nH]c(CSc3nnc(-c4cccnc4)n3C3CC3)nc12 7030117 FQZNZDRJGXMZNF-UHFFFAOYSA-N 390.472 3.512 0 40 GHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1N1CCCC1=O 16106077 GTRSXVHSJWJTQT-UHFFFAOYSA-N 394.406 3.574 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(F)c2)c1 8058949 HBJFBVBUVUTWJY-QGZVFWFLSA-N 383.416 3.508 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cn2c(C)cccc2n1 8136360 NXGHNFMYXZMEEN-UHFFFAOYSA-N 393.365 3.939 0 40 GHAB O=C(OCc1nc2ccccc2o1)C1CCN(C(=O)c2ccc(F)cc2)CC1 8333359 AWDCRNFZXUEVLZ-UHFFFAOYSA-N 382.391 3.563 0 40 GHAB Clc1cc(CSc2nnnn2Cc2cccs2)cc2c1OCCCO2 8391664 YVRXCYYIWHPNMR-UHFFFAOYSA-N 394.909 3.890 0 40 GHAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCCC(C)C 8657245 JDULYYNMVYAGOM-MOSHPQCFSA-N 394.496 3.890 0 40 GHAB O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)[C@@H]1CCCN1c1nccs1 69963080 SQBDBRDOIWPHRK-CVEARBPZSA-N 393.459 3.907 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O 8885361 FJOGEDQVZGTLOE-UHFFFAOYSA-N 377.872 3.622 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900674 AEFFIEOELBIEIS-KSFYIVLOSA-N 389.499 3.897 0 40 GHAB Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 24693360 YHEILPJVKPOZER-NRFANRHFSA-N 376.435 3.797 0 40 GHAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3nc4cccnc4n3C)n2)cc1 546721082 OQDSHOBBAYWKQB-UHFFFAOYSA-N 390.447 3.713 0 40 GHAB COC(=O)c1ccccc1-c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)o1 409015708 RWKAZEWEZFHETK-QGOAFFKASA-N 388.379 3.831 0 40 GHAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 306139997 UGKFTUPZUOJXOQ-IRLDBZIGSA-N 394.471 3.643 0 40 GHAB CCC1=NN(C(=O)COc2ccc(Cl)cc2Cl)[C@](O)(C(F)(F)F)C1 32100040 BMVLSEWJCYWLDR-CYBMUJFWSA-N 385.169 3.621 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)N(C2=NCCCS2)c2ccc(F)cc2)cc1 35313617 GWHKEACKXXJGJA-UHFFFAOYSA-N 392.477 3.717 0 40 GHAB C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccnc(C2CC2)n1 561070255 XMMHMEHQFHOEPU-PXAZEXFGSA-N 391.393 3.975 0 40 GHAB O=C(Nc1ccccc1OC(F)(F)F)[C@H]1CC(=O)N(CCc2ccccc2)C1 36883277 RHWMLPGMFMKSKU-HNNXBMFYSA-N 392.377 3.615 0 40 GHAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@@H](c2nnc(-c3ccsc3)o2)C1 72390534 SUPPRBIPJQVNCU-LLVKDONJSA-N 395.893 3.630 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1C 219220655 JOOYPJXNXGHBTO-FQEVSTJZSA-N 386.517 3.860 0 40 GHAB Cc1nccn1-c1ccc(CNS(=O)(=O)Cc2c(F)cccc2Cl)cc1 216312813 WODFYQQGMBCIOU-UHFFFAOYSA-N 393.871 3.593 0 40 GHAB O=C(CN1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCC1 72359392 NJPXAUUAJCYCNH-QGZVFWFLSA-N 384.911 3.599 0 40 GHAB CCOc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3nc(C)ccc23)cc1 49004832 BWQIEDMBTAQZEL-UHFFFAOYSA-N 392.459 3.553 0 40 GHAB COc1ccc(S(=O)(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1 222989351 OKMNJNANPIWLAH-NSHDSACASA-N 382.279 3.598 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C)c2C)cc1Br 224879890 ILWFSGQXLYVUOI-UHFFFAOYSA-N 384.295 3.900 0 40 GHAB Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cccc1N(C)S(C)(=O)=O 222434359 UNJBIARYQZBBDN-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB S=C(NCCCN1CCCC1)Nc1ccc(Br)c(Cl)c1 225433641 DRVBAYUBVLRXTI-UHFFFAOYSA-N 376.751 3.875 0 40 GHAB O=C(COc1cccc2cccnc12)N1CCN(c2cccc(Cl)c2)CC1 223136088 CQPOXUQTSJFJGS-UHFFFAOYSA-N 381.863 3.616 0 40 GHAB CCOC(=O)c1cccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1C 44911729 QXJJNNPBXMLGLY-UHFFFAOYSA-N 377.444 3.977 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(C)C)cc2C)cc1 224014118 MIJDGRITGPULDR-UHFFFAOYSA-N 390.505 3.580 0 40 GHAB CC(C)Oc1nn(C)c2ccc(NC(=O)c3ccc(Br)o3)cc12 227166773 QCEGUDVDBGSXCZ-UHFFFAOYSA-N 378.226 3.968 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc(C)cc1 223877495 BIQWKRHQJXSFJE-KRWDZBQOSA-N 381.881 3.865 0 40 GHAB O=C(C[C@H]1CC2(CCN(CC3CCOCC3)CC2)c2ccccc21)NC1CC1 96053016 GINLOGZXYVHURZ-IBGZPJMESA-N 382.548 3.603 0 40 GHAB CCc1cccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)N(C)Cc3ccccn3)C2)c1 96227432 NGBBIWSOHGAHST-OFNKIYASSA-N 392.503 3.547 0 40 GHAB CN1CCOc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2C1=O 96103565 XHPGMQWEIHSHCF-UHFFFAOYSA-N 392.377 3.741 0 40 GHAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1cccc(Nc2ncccn2)c1 95477675 LGSGMMUFVRNDDG-UHFFFAOYSA-N 375.407 3.813 0 40 GHAB O=C(NS(=O)(=O)c1ccc(F)cc1)c1cc(F)ccc1Oc1ccccc1 257318796 VPKLWQVVPDLAKO-UHFFFAOYSA-N 389.379 3.876 0 40 GHAB Cc1[nH]c2ccc(C(=O)NS(=O)(=O)c3cccc(Cl)c3C)cc2c1C 257263737 LREXRCBTFSASFG-UHFFFAOYSA-N 376.865 3.865 0 40 GHAB Cc1cc(N2CCO[C@@H](c3cccc(Nc4nc(C)cs4)n3)C2)nc(C)n1 257235157 GWRPJRJOAUAEIB-MRXNPFEDSA-N 382.493 3.575 0 40 GHAB O=C(Cn1ccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257255295 KGYZIKPGIWXNDD-GOSISDBHSA-N 384.867 3.869 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(C)cc2)CC1 257269998 MSIXZVFESOBVDK-HFMPRLQTSA-N 393.531 3.733 0 40 GHAB Oc1cc(CN2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)ccn1 1621142022 XIXDHYPZQOROSU-UHFFFAOYSA-N 383.492 3.973 0 40 GHAB O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc2c(Br)cnn2c1 1137663331 APUONNYKOVVFDK-UHFFFAOYSA-N 382.221 3.739 0 40 GHAB COc1ccccc1[C@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C)Nc2ncnn21 11694803 VFSIWQINXIDRHZ-UUWFMWQGSA-N 397.866 3.598 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3F)c12 12789201 OZIBARKFYSSXIL-LLVKDONJSA-N 383.379 3.732 0 40 GHAB O=C(Nc1nc(-c2ccc(F)cc2F)cs1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 15746576 FMOYQCTWRYPGEZ-QTGCHDBNSA-N 378.400 3.774 0 40 GHAB Cc1cccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4N2Cc2cnn(C)c2)c1 19235334 IZYRSJSXUHPEAL-GHTZIAJQSA-N 384.487 3.700 0 40 GHAB O=C(CCc1[nH]nc2c1CCCC2)N1CCC[C@H](COc2ccc(F)cc2)C1 19335831 BMBZPICBYGZKNM-INIZCTEOSA-N 385.483 3.678 0 40 GHAB Cc1ccc(OCCN2CCCC2)c(NC(=O)c2c(C)nc3c(C)cccn23)c1 19716780 XMWSVJRVCNZKDB-UHFFFAOYSA-N 392.503 3.986 0 40 GHAB CCc1cccc(C)c1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 19935585 AEFFZEBANTXNFW-UHFFFAOYSA-N 390.480 3.733 0 40 GHAB COc1cccc(OC)c1CN1C[C@@H]2CCC[C@H](C1)C2(O)c1ncccc1C 19237687 DAUZBUGSOGIGMI-NHJWOMDBSA-N 382.504 3.527 0 40 GHAB CC(=O)c1ccccc1OCCn1nnc(-c2cccc(C(F)(F)F)c2)n1 10403110 UMLZYYOKSNRMAB-UHFFFAOYSA-N 376.338 3.641 0 40 GHAB CC(C)n1ncc2cc(C(=O)O[C@H](C(=O)N3CCCC3)c3ccccc3)cnc21 10714518 NEEKYHKUNJOQCW-IBGZPJMESA-N 392.459 3.533 0 40 GHAB CN(c1ncc(Cl)cn1)C1CCN(c2nc(C(F)(F)F)cs2)CC1 1889096065 TVJPEXJTELURMI-UHFFFAOYSA-N 377.823 3.711 0 40 GHAB COc1ccc(CN2CC[C@H]3CN(c4ccccn4)C[C@H]32)cc1Br 1889133843 DUDVXIMDVPOHLC-DOTOQJQBSA-N 388.309 3.563 0 40 GHAB O=C(NCc1nnc(SCc2ccccn2)o1)c1cccc(C(F)(F)F)c1 4271794 QMDNXCXCLZGAIL-UHFFFAOYSA-N 394.378 3.706 0 40 GHAB O=C(CSc1nnc2ccc(-c3ccccc3)nn12)Nc1ccc(F)cc1F 5167337 HSSVDJOMGDPCNK-UHFFFAOYSA-N 397.410 3.800 0 40 GHAB COC(=O)c1cccc(-n2c(N)c(C(=O)N3CCCCCC3)sc2=S)c1 12415617 MWRTZWKORQGVSQ-UHFFFAOYSA-N 391.518 3.653 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1 13695264 CZNUALSOSXDADA-UHFFFAOYSA-N 380.444 3.661 0 40 GHAB CN(C)c1cccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)c1 1775973974 SYJSOFUCCDAXDP-ROUUACIJSA-N 381.524 3.650 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(c2nnc(-c3ccco3)s2)CC1 23141000 FBXIAIAFUINKIC-UHFFFAOYSA-N 398.444 3.938 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)N[C@@H]1CCN(c2nccs2)C1 206815829 DCSFYSOSOOXEDL-GOSISDBHSA-N 378.501 3.811 0 40 GHAB COc1cccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)c1OC 101014886 QLUQVMFWNOMERC-CQSZACIVSA-N 376.250 3.769 0 40 GHAB O=C(Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1Cl)c1ccccc1 102042227 KECXNFCKWIKOFB-LSOMNZGLSA-N 392.842 3.904 0 40 GHAB Cc1ccc(N2C(=O)C[C@@H](N3CCC(c4c[nH]c5ccccc45)CC3)C2=O)cc1 32771752 ADEOYSIEEBNDDG-JOCHJYFZSA-N 387.483 3.988 0 40 GHAB CCOc1cc2c(cc1CNC(=O)NCCOc1cccc(C)c1)O[C@@H](C)C2 32863393 BBQNPZRKGDAAIZ-INIZCTEOSA-N 384.476 3.595 0 40 GHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 32847896 OWGJZJFGMWVFTI-CYBMUJFWSA-N 380.448 3.583 0 40 GHAB COc1cc(OC)c2cc(C(=O)Nc3ccc4oc(C)nc4c3)[nH]c2c1OC 32804863 YAIDRYCMLGZMGY-UHFFFAOYSA-N 381.388 3.896 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccc(CN3CCCCC3)cc2)c(F)cc1F 32908574 DUSCBGWBSIDWMN-UHFFFAOYSA-N 388.414 3.990 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2nc(CN3CCCCC3)cs2)c(OC)c1 32978439 NXCYOMYUPYRRRV-VQHVLOKHSA-N 387.505 3.798 0 40 GHAB O=C(NCc1ccccc1Cn1cncn1)c1cccc2c3c([nH]c12)CCCC3 33107693 HTRDGHXYIAFXHO-UHFFFAOYSA-N 385.471 3.617 0 40 GHAB NC(=O)c1ccsc1NC(=O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 53184327 OLCMQJZUPCJUQG-GOSISDBHSA-N 399.903 3.818 0 40 GHAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)[C@H](c1ccccc1)N1CCN(C)CC1 22584568 LDVMRSNXMJHWJZ-PBWIWHKOSA-N 395.591 3.696 0 40 GHAB O=C(NC[C@H]1COc2ccccc2O1)N1CCC[C@@H]1c1nc2ccccc2s1 42294843 YBXZNRMPQPCHAH-GOEBONIOSA-N 395.484 3.983 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)CC(=O)Nc3ccccc3)o2)cc1 899653 OQGCIWOTXMJEAV-UHFFFAOYSA-N 397.456 3.647 0 40 GHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccccc1Cl 950968 KMOKKCRTBOWPDL-SFHVURJKSA-N 380.835 3.921 0 40 GHAB CCOc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1 1343620 VEWYZYXRQHNOOW-LJQANCHMSA-N 395.459 3.923 0 40 GHAB COc1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1Cl 3274945 BUFJLAAMCVMXAV-UHFFFAOYSA-N 395.164 3.821 0 40 GHAB O=C(CSc1nnc2ccccn12)Nc1ccccc1C(=O)c1ccccc1 3345775 UTTIBPNSQFOYID-UHFFFAOYSA-N 388.452 3.691 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(F)cc2Cl)n1 3450010 CAYAKQBHXFPRPB-UHFFFAOYSA-N 387.802 3.655 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc3cc(Cl)ccc3s2)C1 3515363 VLBRSOAZGFIFKU-LLVKDONJSA-N 398.937 3.844 0 40 GHAB CCCCc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)cc1 4046916 WIULVRVOLUTODV-UGKGYDQZSA-N 392.455 3.828 0 40 GHAB biogenic CC(=O)Nc1ccc(C(=O)N2CCc3cc4c(cc3[C@H]2C)OCCCO4)cc1 4090525 PMDXNZBHFBSSOO-CQSZACIVSA-N 380.444 3.566 0 40 GHAB biogenic CCCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccncc1 4161376 VMBZDZYQOKVXJQ-UHFFFAOYSA-N 393.516 3.822 0 40 GHAB COc1ccc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)cc1 4377193 DHZJTGJHQTWPPX-UHFFFAOYSA-N 398.440 3.567 0 40 GHAB Cn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccccc1 4685313 QOMGMJZTJHVJNA-UHFFFAOYSA-N 384.530 3.979 0 40 GHAB CCN(CC)C(=O)CN1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 4734651 NMTSHLVSQYPYIG-JOCHJYFZSA-N 375.472 3.592 0 40 GHAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(Br)cc1 5212899 LQQNMKNKJIDOFK-JTQLQIEISA-N 377.267 3.611 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 5246202 WYURXPFBGYYUFI-UHFFFAOYSA-N 393.867 3.840 0 40 GHAB C[C@H]1S[C@]2(C(=O)Nc3ccccc32)N(c2cccc(Br)c2)C1=O 5527917 PDVILXIJQRXXNC-BMLIUANNSA-N 389.274 3.723 0 40 GHAB Cc1cc(C)nc(SCc2nnc(SCc3ccc(C(=O)O)cc3)o2)n1 5697939 ZTRWDLUFTKRIFC-UHFFFAOYSA-N 388.474 3.759 0 40 GHAB CCc1ccc(N2C(=O)N(c3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 6168782 SOQSIENAPBFTEU-ROUUACIJSA-N 390.892 3.515 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 6471268 BNLCIAOGKAUANU-UHFFFAOYSA-N 388.489 3.559 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc(F)c(F)cc1Cl 6602795 UQWFJXUPKFALOD-UHFFFAOYSA-N 399.777 3.780 0 40 GHAB Cc1cc(I)cnc1NC(=O)COc1cccc(C)c1C 6632462 INJLUSKKUHGWIA-UHFFFAOYSA-N 396.228 3.629 0 40 GHAB C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3cccc(F)c3)c2)C1 6680936 UZQKIGKZVJZGOZ-LBPRGKRZSA-N 382.482 3.560 0 40 GHAB Cc1nnc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)s1 6748084 YIQMQRDKWMHLGF-UHFFFAOYSA-N 395.872 3.974 0 40 GHAB Cc1nc2c3ccccc3nc(SCc3cc(F)cc4c3OCOC4)n2n1 6918755 OLSLVDMBIDMCNN-UHFFFAOYSA-N 382.420 3.884 0 40 GHAB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc1 6963708 LSPRHFFTQUXPEP-FQEVSTJZSA-N 379.460 3.969 0 40 GHAB COc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 7007752 XTIWGTDUEYPLNM-QGZVFWFLSA-N 386.879 3.517 0 40 GHAB CCOC(=O)Cn1c([C@@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 7542625 MVBZEJCOKZIJCT-CQSZACIVSA-N 397.862 3.773 0 40 GHAB Cc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 8320744 IOVXKEPYCQXYBG-UHFFFAOYSA-N 380.469 3.829 0 40 GHAB CCn1cc(C(=O)Nc2cccc(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1 9661438 PZKCCZLBABGVIG-UHFFFAOYSA-N 376.391 3.550 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2cccs2)cc1 9996213 XHPLBIVYXIIMSJ-LBPRGKRZSA-N 388.518 3.945 0 40 GHAB COc1cc(C(=O)Oc2ccc(-c3ccc(C)cc3)nn2)cc(OC)c1OC 10127752 NCTDEKJZZHCAKK-UHFFFAOYSA-N 380.400 3.697 0 40 GHAB COc1ccc2c(c1)OCC([C@@H]1Nc3ccccc3C(=O)N1CC(F)(F)F)=C2 11036281 QLYUIUVVKPPNGS-GOSISDBHSA-N 390.361 3.927 0 40 GHAB COc1ccc2cc(CNC(=O)[C@@H](C)NC(=O)c3ccccc3Cl)ccc2c1 11123631 JFRVITGAAQIUBB-CQSZACIVSA-N 396.874 3.937 0 40 GHAB CC(C)(CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCCCC1 11594760 BKRRYTUSZSOOJV-INIZCTEOSA-N 395.956 3.524 0 40 GHAB COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccc(C(=O)O)cc1 12395958 NWOLREUHAIPJIH-UHFFFAOYSA-N 387.395 3.881 0 40 GHAB O=C(c1cc(F)cc(F)c1)N1CCN(C(=O)c2cccc3ccccc23)CC1 12779043 GLQZVFJCGFSKCV-UHFFFAOYSA-N 380.394 3.716 0 40 GHAB CC(=O)Nc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 12779833 QDPGTAGKIOQAHZ-UHFFFAOYSA-N 382.391 3.886 0 40 GHAB COc1cc2c(cc1OC)CN(Cc1nc(-c3ccccc3Cl)no1)CC2 12881665 KAHKHJMRBHTEPL-UHFFFAOYSA-N 385.851 3.966 0 40 GHAB O=C(O)c1cc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)ccc1F 13248850 WMKRHXVLYBJWOQ-UHFFFAOYSA-N 375.377 3.512 0 40 GHAB CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)/N=c1\[nH]c2ccccc2s1 13552488 HZXBJUOLTPGRPM-MAUKXSAKSA-N 395.509 3.705 0 40 GHAB COc1ccccc1OCCCN1CCN(c2nsc3ccccc23)CC1 13726036 XQWFRSVSFLQNRQ-UHFFFAOYSA-N 383.517 3.896 0 40 GHAB Cn1c(SCc2cc(-c3ccco3)on2)nnc1[C@H]1COc2ccccc2O1 14109230 KZISQAOVNFKHEH-QGZVFWFLSA-N 396.428 3.868 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c(O)c1 14129376 RIDOBCBBISYADF-LBPRGKRZSA-N 378.350 3.711 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 14166059 BHJFJGGPSWBIBT-MRXNPFEDSA-N 394.496 3.843 0 40 GHAB NC(=O)[C@@H](OC(=O)c1ccc(SCc2cscn2)cc1)c1ccccc1 14246957 FRPLPSQLBZYBHV-KRWDZBQOSA-N 384.482 3.819 0 40 GHAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccccc1F 14291291 DGKKAFAXVDNZJH-UHFFFAOYSA-N 383.408 3.561 0 40 GHAB CCN(CC(=O)NC(C)C)C(=O)c1oc2ccccc2c1COc1ccccc1 14868165 MNPPKRCKIIZQAE-UHFFFAOYSA-N 394.471 3.999 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)cc1C 15529209 PNWMJBVZHHYHIX-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB C/C=C/C=C/C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 15744208 ZCMZUJUPKNSGPD-MQQKCMAXSA-N 378.400 3.836 0 40 GHAB C[C@H]1CN(CC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)C[C@@H](C)O1 16758765 CPTWKORZEYYJSJ-IYBDPMFKSA-N 395.528 3.935 0 40 GHAB CSCc1c(C(=O)OCc2nnnn2-c2ccccc2)oc2ccccc12 17714028 ZCOIHXUUZPXSFH-UHFFFAOYSA-N 380.429 3.629 0 40 GHAB CCCCNS(=O)(=O)c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 18705339 PZSOTCOPJDGWFY-UHFFFAOYSA-N 398.887 3.739 0 40 GHAB COc1ccc(CN2CCc3nc(-c4ccccn4)nc(NC(C)C)c3C2)cc1 19450211 YTBRGNGKYOEWTI-UHFFFAOYSA-N 389.503 3.926 0 40 GHAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cc(C(C)C)no1 19452981 RNIIPGYZJFSZEY-YFVAEKQCSA-N 399.466 3.556 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Cn2cc(Cl)cn2)c(OC)c1 19457322 XMSQPCKFFXAHMM-DYVFJYSZSA-N 377.872 3.554 0 40 GHAB CCc1nccn1CCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C 19523638 ZBCFHNKYTKIGAF-PQNGQFLHSA-N 394.563 3.705 0 40 GHAB COc1cccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)c1 19564507 LFSQJEUIIANPCA-GOSISDBHSA-N 395.484 3.874 0 40 GHAB O=C(Cc1csc(-c2ccccc2)n1)NCc1nnc(-c2ccccc2)o1 19715091 XARLAQSHBDLJAY-UHFFFAOYSA-N 376.441 3.719 0 40 GHAB CN(C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)C1CCCCC1 20107325 FBCCMOJLTHUWII-UHFFFAOYSA-N 393.336 3.551 0 40 GHAB CC(C)=CC[C@H]1[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1(C)C 20161438 IIZCTMQLLDIIEZ-GHTZIAJQSA-N 384.520 3.688 0 40 GHAB O=C(NCCc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 21004991 PNWNXPOOAVCAQJ-UHFFFAOYSA-N 377.410 3.676 0 40 GHAB O=C(Nc1ccnn1Cc1ccccc1Cl)c1cc(=O)[nH]c2ccccc12 21907259 KPWSUYXSDSSGKL-UHFFFAOYSA-N 378.819 3.679 0 40 GHAB COC(=O)c1cc2cc(NC(=O)c3cn(C)c4ccccc4c3=O)ccc2s1 22234324 BYJSRHQCSFUPDW-UHFFFAOYSA-N 392.436 3.792 0 40 GHAB Cc1nn(C)c2ncc(NC(=O)c3cc(-c4ccco4)nc4onc(C)c34)cc12 24982568 YXNBUMSUMXVWIR-UHFFFAOYSA-N 388.387 3.634 0 40 GHAB O=C(NC1CC1)c1ccc(CN(C(=O)c2ccc3ncsc3c2)C2CC2)cc1 26897211 VYONGVQVIBLHNB-UHFFFAOYSA-N 391.496 3.993 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)NCCC2CCCC2)cc1 31164552 JHNLGXXWKUXKCV-INIZCTEOSA-N 395.569 3.658 0 40 GHAB COc1ccc(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)c(OC)c1OC 32768402 IWTZXCCKZLIJLM-UHFFFAOYSA-N 395.402 3.515 0 40 GHAB O=C(CC[S@@](=O)Cc1ccccc1Br)Nc1ccccc1F 32800955 UIPFCADPKRSWOK-QFIPXVFZSA-N 384.270 3.866 0 40 GHAB Cc1cc2n(CC(=O)Nc3ccccc3C(C)(C)C)c(=O)c3ccccc3n2n1 32836396 WMYAKTXFELYXGG-UHFFFAOYSA-N 388.471 3.894 0 40 GHAB Cc1oc(-c2cccs2)nc1CC(=O)N(C)C[C@H]1COc2ccccc2O1 32900178 SEHCWGNJNIKJNG-AWEZNQCLSA-N 384.457 3.552 0 40 GHAB CCC(CC)[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 32937689 GFUVRTQUXUHEFJ-SFHVURJKSA-N 375.494 3.633 0 40 GHAB COc1cccc(NC(=O)NC2(C(=O)NCc3cccs3)CCCCC2)c1 35311689 MRBSGEPAACLBHP-UHFFFAOYSA-N 387.505 3.898 0 40 GHAB O=C1C[C@@H](Nc2ccccc2Cl)C(=O)N1c1ccccc1Br 36635825 IWUVLKLPGUHJSN-CYBMUJFWSA-N 379.641 3.847 0 40 GHAB Cc1ccc(-c2cc(C(=O)Nc3cccc(-c4nnnn4C4CC4)c3)on2)cc1 40088119 IDHRNRSBKPXCDS-UHFFFAOYSA-N 386.415 3.891 0 40 GHAB COc1ccc(CCNC(=O)NCC2CCN(Cc3ccsc3)CC2)cc1 43972224 XSSDELZFDAWMCF-UHFFFAOYSA-N 387.549 3.511 0 40 GHAB O=S(=O)(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(Cl)cc1F 44857817 WRJIDTTXNMZWNH-OAHLLOKOSA-N 385.844 3.838 0 40 GHAB CC(C)CN1CCC(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 62639992 HLMNBTNYNFOKHK-QGZVFWFLSA-N 377.960 3.651 0 40 GHAB O=C(Nc1ncc(Cc2ccccc2F)s1)c1ccc(N2CCOCC2)cc1 63936843 LVURLHPUUAQIFT-UHFFFAOYSA-N 397.475 3.962 0 40 GHAB Brc1cccc(C2(NCc3cccc4c3OCO4)CCOCC2)c1 72275147 MLFANPJDAWVVEH-UHFFFAOYSA-N 390.277 3.973 0 40 GHAB CCCCNC(=O)c1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 72280551 WPZJCMUCGIRTDB-UHFFFAOYSA-N 376.403 3.748 0 40 GHAB CS(=O)(=O)NCCCN(c1cccc(N2CCCC2)c1)C1CCCCCC1 72289504 PDUXSFMONSAION-UHFFFAOYSA-N 393.597 3.755 0 40 GHAB CN(C)C(=O)c1cc([C@H]2CN(Cc3ccc(F)cc3)CCO2)nc2ccccc12 72352707 XHRAWAKCTSAGFI-JOCHJYFZSA-N 393.462 3.649 0 40 GHAB Cc1c([C@H]2SCC(O)=Nc3c2c(O)nn3C2CCCCCC2)cnn1C 79494536 VTXNNHOCVBAXHS-MRXNPFEDSA-N 375.498 3.950 0 40 GHAB CSc1ccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)cc1 85651555 HUKLBGMFOQOECT-UHFFFAOYSA-N 383.513 3.978 0 40 GHAB O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 90612749 RDXOROSFWRQONG-AWEZNQCLSA-N 382.338 3.679 0 40 GHAB CC(C)Oc1ccc(C(=O)N2CCC[C@H](n3nccc3C(F)(F)F)C2)cn1 95466097 QTVLMWXHWBDCFV-AWEZNQCLSA-N 382.386 3.561 0 40 GHAB O=C1[C@@H]2C[C@@H](CN2Cc2cccs2)Oc2ccccc2N1Cc1ccccn1 96111867 KLYWJWGHQDLTML-PXNSSMCTSA-N 391.496 3.712 0 40 GHAB biogenic,in-vitro COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1c(O)n[nH]c1Cc1ccccc1 96117557 BHVZTKKHGXLCAJ-ZDUSSCGKSA-N 390.361 3.818 0 40 GHAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21)NC1CCC1 96242136 RGBFWRNIUJXYIJ-KRWDZBQOSA-N 392.499 4.000 0 40 GHAB CCCc1ccc(C(=O)N2CCc3nc(N4CCCC4)nc(C)c3CC2)cc1 96254683 ABJMZQNXCUXYDQ-UHFFFAOYSA-N 378.520 3.579 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)c1 96580839 QOYVKPCOBZDYOJ-UHFFFAOYSA-N 387.486 3.813 0 40 GHAB CCC[C@@H]1[C@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@@H]2ON1c1ccccc1 102752658 DYGSNVAEYHBMBN-MISYRCLQSA-N 380.444 3.564 0 40 GHAB Cc1ccc(C)c(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 113965457 SLCZTPCAYLCOSV-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB COC(=O)N(C)Cc1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 117462480 SMVOVRDFJZGCQL-GOSISDBHSA-N 396.491 3.533 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21 222653875 IVRPBSXZADRIJA-UHFFFAOYSA-N 398.406 3.805 0 40 GHAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222918650 BYQLHJABCXHCTA-AWEZNQCLSA-N 393.314 3.742 0 40 GHAB COc1ccc(CNC(=S)Nc2nc(C)cc(N3CCC(C)CC3)n2)cc1 225932127 PZZZPAILDAFAHU-UHFFFAOYSA-N 385.537 3.517 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(Oc2ccncc2Cl)CC1 253472711 OOTDHORTQGHHHE-UHFFFAOYSA-N 375.812 3.539 0 40 GHAB CN1C(=O)CCC[C@]12CN(CCOc1ccccc1)C[C@H]2c1ccc(F)cc1 257240230 HSQXSFBHDYPBSN-JTHBVZDNSA-N 382.479 3.685 0 40 GHAB COc1ccc(OC)c(C(=O)N2CCCC[C@H]2c2nnc(-c3cccnc3)o2)c1 257252798 JWEIWRHVZWMVRE-KRWDZBQOSA-N 394.431 3.516 0 40 GHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@H]2CCCO2)N1C1CCCC1 260918101 LAQGTDPNPPUPNI-UIFIKXQLSA-N 396.560 3.977 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1C 408620641 PZEHOODYIOCJLA-QGZVFWFLSA-N 380.554 3.687 0 40 GHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c1 408628878 GFFJAJSDYDDLEX-UHFFFAOYSA-N 387.911 3.726 0 40 GHAB O=C(c1cc2cc(NS(=O)(=O)c3ccccc3)ccc2s1)N1CCCC1 408713026 HBVVKKHEYXNQGS-UHFFFAOYSA-N 386.498 3.938 0 40 GHAB CCOc1cc([C@H]2NC[C@@H](C(=O)O)S2)ccc1OCc1ccc(F)cc1 408980805 XVLDOBITCQCFJL-ROUUACIJSA-N 377.437 3.592 0 40 GHAB CC1(C)CN(C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)[C@H]1c1cccnc1 515426025 RWOLYHWBUHGRQS-KRWDZBQOSA-N 399.882 3.880 0 40 GHAB Cc1csc(NC2CCN(C(=O)[C@@H](C)[C@H]3OCCc4sccc43)CC2)n1 519439072 DFQKQNJNYYNFPO-SUMWQHHRSA-N 391.562 3.866 0 40 GHAB COc1cc2nc(NC(=O)c3sc(C)cc3OC(F)F)[nH]c2cc1OC 523694853 FCJUXVVOLIAWAE-UHFFFAOYSA-N 383.376 3.804 0 40 GHAB Cc1ccc(N(Cc2cccs2)C(=O)c2cn(C[C@@H]3CCOC3)nn2)cc1 528515803 DTUQCQNXPGSFEA-INIZCTEOSA-N 382.489 3.532 0 40 GHAB O=C(Cc1noc2ccc(F)cc12)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 573187841 UFJKOKCKOMSIKW-WSTZPKSXSA-N 380.419 3.541 0 40 GHAB COc1ccc2c(c1)[C@H](c1nc(-c3cn(Cc4ccccc4)nn3)no1)CCC2 656020110 OLGRMQFQUZKWCH-GOSISDBHSA-N 387.443 3.853 0 40 GHAB O=C(NCC1(c2ccccc2)CCOCC1)N1CCC[C@@H]([C@H]2CCCCO2)C1 660423269 OLVPUMRUDSPLFT-TZIWHRDSSA-N 386.536 3.726 0 40 GHAB Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)c1nc(COCC(F)(F)F)no1 680666558 JEMDULSEXAHNMH-ZETCQYMHSA-N 386.296 3.676 0 40 GHAB CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccnc(Cl)c1Cl 1603163044 YBLOBNVHYLXBDA-UHFFFAOYSA-N 388.245 3.871 0 40 GHAB CCc1nccn1CC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615159031 SDKRZHCNROKVFL-OALUTQOASA-N 384.499 3.633 0 40 GHAB Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCCCC3)c(=O)[nH]c2c1 891688 PGSXKXHWWIHLQF-FQEVSTJZSA-N 392.507 3.513 0 40 GHAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCc2ccccc2C1)OCO3 930018 QEXURBIBRUEYIQ-UHFFFAOYSA-N 392.480 3.949 0 40 GHAB O=C(NC[C@@H]1CCCO1)c1ccc(COc2ccc(Br)cc2)cc1 1003227 XOQLVPUKCHMPNL-SFHVURJKSA-N 390.277 3.937 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 1004042 MDYMJHKDPDZTPQ-UHFFFAOYSA-N 380.469 3.693 0 40 GHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 1336828 IZEVVAHNSXYMNU-UHFFFAOYSA-N 393.892 3.632 0 40 GHAB CCc1nnc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1 2647131 WVLROTFYSBPRKX-UHFFFAOYSA-N 376.445 3.601 0 40 GHAB COc1cccc(OC)c1C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C 3247507 YETIHBODCNRSKP-UHFFFAOYSA-N 385.460 3.688 0 40 GHAB O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F 3316615 LENMENZIRCGRLW-UHFFFAOYSA-N 397.324 3.989 0 40 GHAB O=C1OCC[C@H]1Sc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1 3412813 LDNQLEUURNNZFL-OAHLLOKOSA-N 378.881 3.963 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(c2ccccn2)CC1 3415799 AMJASMJOGWCFSM-QFIPXVFZSA-N 390.462 3.723 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(NCc2ccccc2)s1 3490897 SCAKEVKWGPDXPH-UHFFFAOYSA-N 386.502 3.890 0 40 GHAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 3548034 AMEGTWFOTDXEJT-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB COc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1Br 3662975 QGUCHNJMCZZMJB-UVTDQMKNSA-N 395.322 3.848 0 40 GHAB Cc1nc(C)c(-c2ccc(SCC(=O)NCCc3ccccc3)nn2)s1 4358338 CLDUETMMITUYGL-UHFFFAOYSA-N 384.530 3.668 0 40 GHAB COc1ccccc1Oc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4512314 XDGVDCRIUNNEGV-NXILAULNSA-N 379.412 3.624 0 40 GHAB CCOc1cc(C(=O)n2sc(=O)c3ccccc32)cc(OCC)c1OCC 4517354 ZVEUYMPQDFYJKK-UHFFFAOYSA-N 387.457 3.948 0 40 GHAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(C)o3)c3ccccc32)cc1 4555150 FTPGKZQXUKMZEC-QHCPKHFHSA-N 375.424 3.904 0 40 GHAB CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccccc1F 4816120 HGUIWJNFWWMHJN-UHFFFAOYSA-N 382.464 3.786 0 40 GHAB COc1ccc(C(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1OC 5146270 IRJIOVRCAIFWLH-UHFFFAOYSA-N 386.448 3.939 0 40 GHAB CCOc1ccc(-c2cn3c(CC(=O)NCc4cccnc4)csc3n2)cc1 5146976 ATHQYORLBRBCSU-UHFFFAOYSA-N 392.484 3.715 0 40 GHAB Cc1cccc(C)c1-n1nnnc1SCC(=O)N[C@H](C)CCc1ccccc1 5168244 RZRWXWAGEGXBAM-QGZVFWFLSA-N 395.532 3.509 0 40 GHAB CCCNC(=O)Cn1c([C@H](CCC)NC(=O)c2ccccc2)nc2ccccc21 6187106 JVRSWBNAEFVJDY-IBGZPJMESA-N 392.503 3.834 0 40 GHAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2c(c1)OCO2 6322605 CJAJOVQFKNMCSF-UHFFFAOYSA-N 385.228 3.555 0 40 GHAB COc1c(C)cccc1C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 6422405 IKLULXNNCGIBQH-UHFFFAOYSA-N 383.473 3.702 0 40 GHAB O=C(Cc1c(Cl)cccc1Cl)OCC(=O)N1CCc2ccccc2C1 6611507 VFTOJDZLVNIZHP-UHFFFAOYSA-N 378.255 3.664 0 40 GHAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)cc2)cc1 6626542 HANZSSTZYBPDNL-UHFFFAOYSA-N 384.295 3.669 0 40 GHAB Fc1cccc(Cl)c1CNCCCSc1nnnn1-c1ccccc1 6670057 HLDIQKWFLRXPBD-UHFFFAOYSA-N 377.876 3.727 0 40 GHAB CC(C)CC[C@@]1(C)NC(=O)N(CCOc2ccc(Br)cc2)C1=O 6906843 XXUBNSRMPIPYNS-QGZVFWFLSA-N 383.286 3.575 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1c2ccccc2CC[C@@H]1C 7217337 SNAHHZUKSBWPSO-SFHVURJKSA-N 379.504 3.542 0 40 GHAB CCCCCCn1c(=O)c2c(nc3n(CCCCCC)c(C)cn23)n(C)c1=O 7423803 RYDBFNJAVORVKT-UHFFFAOYSA-N 387.528 3.618 0 40 GHAB COc1cccc([C@]2(C)NC(=O)N(Cc3csc(-c4ccccc4)n3)C2=O)c1 7814759 OTLVKTYTQKVRKW-NRFANRHFSA-N 393.468 3.786 0 40 GHAB CCOCc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OC 7848441 DBNXKVQAGQCVRM-UHFFFAOYSA-N 388.895 3.848 0 40 GHAB NC(=O)CCN(C(=O)COc1ccccc1Cc1ccccc1)c1ccccc1 7988592 XVZQZYBQCCCGBV-UHFFFAOYSA-N 388.467 3.565 0 40 GHAB COc1ccc(CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C2CC2)cc1 8164318 JODAECLPPUNICI-LJQANCHMSA-N 382.485 3.689 0 40 GHAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnnn2C2CC2)c1 8187044 QMWGQYSPILQMLV-UHFFFAOYSA-N 379.489 3.642 0 40 GHAB CC/C(Nc1ccc(F)cc1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 8968565 HZIWXBORCJNOMR-FOCLMDBBSA-N 387.798 3.838 0 40 GHAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccccc1F)C3 8993416 ACNRWLPHOQSEKZ-UHFFFAOYSA-N 397.402 3.621 0 40 GHAB O=C1N=C(O)[C@@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1cccc(Cl)c1 9009583 FDGFVGHNZNBHDH-UTKZUKDTSA-N 395.846 3.975 0 40 GHAB Cc1cccc(OCCCN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 9388082 XXJHUMHIFZFVIT-UHFFFAOYSA-N 396.487 3.843 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)NCCc1cccc(Cl)c1 9867942 QPOVZMHAELTOBM-UHFFFAOYSA-N 380.275 3.816 0 40 GHAB COc1ccc2cc(C(=O)NCc3cc(OC)c(OC)c(OC)c3)c(C)nc2c1 9888411 LTYSWWKQDGBGMF-UHFFFAOYSA-N 396.443 3.508 0 40 GHAB CCn1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 10651327 FEFLQIOHCPYVMC-CYBMUJFWSA-N 382.851 3.701 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(C(F)(F)F)cc1 11161807 INCHYHHOCKNPLZ-LBPRGKRZSA-N 377.366 3.881 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1c1ncnc2ccccc12 11246831 MHPWCGNUKQLTBT-KRWDZBQOSA-N 382.851 3.899 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 11612626 PQVCFTPYLVOABT-HNNXBMFYSA-N 394.443 3.537 0 40 GHAB COc1ccc2nc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1 11693500 GBNXHZITTYLIRL-UHFFFAOYSA-N 376.391 3.725 0 40 GHAB COc1ccc2[nH]c(CN3CCC4(CC3)NC(=O)c3ccccc3O4)c(C)c2c1 12146027 DLXOXRZUCAINER-UHFFFAOYSA-N 391.471 3.599 0 40 GHAB CCC[C@@H]1c2cccn2CCN1C(=O)c1cc2c(OC)ccc(OC)c2n1C 12148686 MDDSAEKRWMZRLS-QGZVFWFLSA-N 381.476 3.994 0 40 GHAB Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)Nc3ccc4c(c3)CCC4)n2)s1 12181696 LXDSNYGODMPEFC-ZDUSSCGKSA-N 394.500 3.551 0 40 GHAB Cc1ccccc1COc1cn(CC(=O)Nc2ccc(F)cc2)c(C)cc1=O 12230712 LNOWTCQWMHEVMG-UHFFFAOYSA-N 380.419 3.822 0 40 GHAB C[C@@H](NC(=O)NCC12CC3CC(CC(C3)C1)C2)c1ccc(S(C)(=O)=O)cc1 12567721 VCGOWYPEQADUQN-LFPRZYRFSA-N 390.549 3.667 0 40 GHAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1nc(-c2cccnc2)cs1 12633528 KCUGLLATGQXFBH-CQSZACIVSA-N 378.457 3.735 0 40 GHAB O=C(CNC(=O)c1ccccc1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 12757896 VCCYBUBHSXFTOZ-HYCNBMAASA-N 396.490 3.830 0 40 GHAB Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@H](C)c2ccc(F)cc2)c1 12795164 XSPSVBSUNSLGFG-CQSZACIVSA-N 384.480 3.949 0 40 GHAB COC(=O)c1ccc(CN(C)C(=O)Cc2csc(-c3ccsc3)n2)cc1 12867746 OWVUGWMYIJJCOI-UHFFFAOYSA-N 386.498 3.859 0 40 GHAB Cc1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(C)o1 13014669 CDUXDVPFZGJLHN-UHFFFAOYSA-N 382.869 3.587 0 40 GHAB C[C@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1cccc(Cl)c1 13039930 BVLLUPVIJBIJOM-LBPRGKRZSA-N 390.274 3.863 0 40 GHAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 13570338 OSXOAOBZDKLXSG-LBPRGKRZSA-N 383.879 3.802 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 14091608 BSPHWKLGPUJCNI-UHFFFAOYSA-N 396.516 3.762 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)ccc12 14849469 MQTZLQQPICCHBX-OAHLLOKOSA-N 376.412 3.631 0 40 GHAB CCN(CC)Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 16780292 MTPZXIAHDCDKNM-OAHLLOKOSA-N 397.544 3.891 0 40 GHAB Cc1[nH]c2nc(NCc3ccc(Cl)cc3)nn2c(=O)c1Cc1ccccc1 17027238 PUPVNKBNWWGHOF-UHFFFAOYSA-N 379.851 3.582 0 40 GHAB Cc1ncsc1C(=O)N1CC[C@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19704684 CQQFQBWLSIMWRH-ZDUSSCGKSA-N 386.452 3.522 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)cc1 20029946 HPLRUJKOOCZZGT-GFCCVEGCSA-N 384.295 3.887 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)c1 20060369 BAFNJTQXKBWUBV-QZTJIDSGSA-N 379.489 3.601 0 40 GHAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(CN2CCCC2=O)cc1 20452194 QPOMLWRFIWOALB-UHFFFAOYSA-N 388.920 3.985 0 40 GHAB Cc1cc(C(=O)COC(=O)c2cncn2-c2ccc(F)cc2)c(C)n1C1CC1 21510041 JGBFSGHUPPUVOI-UHFFFAOYSA-N 381.407 3.804 0 40 GHAB Cc1ccccc1C(=O)N1CCC(C(=O)NCC2(c3ccccc3)CC2)CC1 21523850 ZJIDZKRWSLGDAV-UHFFFAOYSA-N 376.500 3.695 0 40 GHAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 21919302 JXOBEZAUXAXVRQ-WWFGTJDESA-N 386.511 3.532 0 40 GHAB CC[C@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 22274998 YZTWUPMDJUXHJK-HNNXBMFYSA-N 394.924 3.758 0 40 GHAB NC(=O)CCn1c(SCc2ccccc2Cl)nnc1-c1cccs1 22749891 ONRVKRGDBJMJDS-UHFFFAOYSA-N 378.910 3.828 0 40 GHAB CN(Cc1ccc(F)cc1F)C(=O)C1CCN(C(=O)c2cccs2)CC1 22895660 XQBFSAOBPRKZJY-UHFFFAOYSA-N 378.444 3.537 0 40 GHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCc3cccs3)cc2)C1 23117784 JRFZDSQWWWEQAZ-HNNXBMFYSA-N 392.546 3.740 0 40 GHAB COCc1c(C(=O)NCCCn2nc(C)cc2C)sc2cccc(F)c12 23246564 ZRIDXNYKYFYVMA-UHFFFAOYSA-N 375.469 3.820 0 40 GHAB C[C@H](C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1)n1cncn1 24584208 JMLAFMSJSZSAAR-CQSZACIVSA-N 383.477 3.501 0 40 GHAB CC(C)Nc1nnc(SCc2cc(=O)n3c(n2)sc2ccccc23)s1 24778340 HFGIKGLZAGRAHX-UHFFFAOYSA-N 389.531 3.873 0 40 GHAB CC(=O)c1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)s1 25339412 PXMDDUFNZHCDFF-UHFFFAOYSA-N 391.802 3.860 0 40 GHAB O=C(c1cc(C2CC2)on1)N1CCc2[nH]c3ccc(Br)cc3c2C1 25925053 NMIDUMJZCLUCFT-UHFFFAOYSA-N 386.249 3.994 0 40 GHAB COc1ccc([C@H](NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C(C)C)cc1 26785870 AGOCDJFPPFUQEK-GOSISDBHSA-N 395.908 3.879 0 40 GHAB CNC(=O)c1ccc(CN(Cc2ccco2)Cc2nc3ccccc3o2)cc1 26925633 XMJJVKCZFCDIQQ-UHFFFAOYSA-N 375.428 3.983 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cnn(Cc4ccccc4C)c3)o2)n1 28238479 OYYFTIGUPHGUFB-UHFFFAOYSA-N 389.459 3.947 0 40 GHAB COc1cc(OC)cc(C(=O)NCc2ccc(-c3nc4cnccc4o3)cc2)c1 32088956 CQUYOQASENGSHB-UHFFFAOYSA-N 389.411 3.837 0 40 GHAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)n2ncc(-c3ccc(F)cc3)c2N1 32104430 CHPCSISKHNAJLZ-INIZCTEOSA-N 384.798 3.865 0 40 GHAB O=C(CCc1ccccc1)NC1CCN(C(=O)Cc2ccccc2Cl)CC1 32924905 BSVXVXLAFOTPDD-UHFFFAOYSA-N 384.907 3.623 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC[C@H](C(=O)Nc2ccccc2)C1 35268974 TZCRGFPLWDQCHJ-MSOLQXFVSA-N 395.503 3.681 0 40 GHAB COc1ccc(CCNCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 35311425 FHRYFAITMGKZOL-UHFFFAOYSA-N 381.520 3.846 0 40 GHAB O=C(NCCCN1CCCCCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 39753569 XELODIBTCFYBCM-UHFFFAOYSA-N 391.987 3.934 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)N[C@H](c1ccc(F)cc1)C1CCCC1 40117402 NGTKHHHVCNBJMS-QFIPXVFZSA-N 379.435 3.583 0 40 GHAB C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 44372617 WXNIWUHAPFDWFP-GJZGRUSLSA-N 377.531 3.589 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 44885079 PNVBGAISCCUAIL-ZWKOTPCHSA-N 388.533 3.644 0 40 GHAB O=C(c1cccc(OCc2cn3ccccc3n2)c1)N(C[C@@H]1CCOC1)C1CC1 46937951 UZHYRTJBEOLXHR-KRWDZBQOSA-N 391.471 3.554 0 40 GHAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cc(-c2ccccc2)on1 49520866 ZVUQWGPTSCDWOW-UHFFFAOYSA-N 380.419 3.959 0 40 GHAB Cc1cccc(NC(=O)c2cc(=O)c(OCc3cccc(Cl)c3)cn2C)n1 49551004 NRCPJEWUEXJBLQ-UHFFFAOYSA-N 383.835 3.573 0 40 GHAB C[C@@H](NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(C(F)(F)F)c1 49795444 BYJBLUPIJVELRL-NEPJUHHUSA-N 397.363 3.950 0 40 GHAB C[C@@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NCc1ccccc1 58172403 QISGKNRVPHITGP-MRXNPFEDSA-N 399.450 3.930 0 40 GHAB Cc1c(Br)c2ccccc2n1CC(=O)/N=c1\[nH]ccn1CC(C)C 58428121 NLNKHSBKAGPZDY-UHFFFAOYSA-N 389.297 3.625 0 40 GHAB COc1c(C)cnc(CN(C)C(=O)/C=C/c2c(Cl)nc3ccccn23)c1C 58958444 NFXYANMDGVPLTB-CMDGGOBGSA-N 384.867 3.680 0 40 GHAB N=C1NC(=S)[C@H](C(N)=O)C2(CCCCC2)[C@@H]1c1nc(-c2ccccc2)cs1 62830014 CKUYWQJPNXSXEX-GJZGRUSLSA-N 398.557 3.854 0 40 GHAB O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CS(=O)(=O)c2ccccc21 72288204 ILAGWAUPPHLJGA-HXUWFJFHSA-N 377.465 3.541 0 40 GHAB C[C@H]1CCCCN1C(=O)c1nnn(-c2ccccc2Cl)c1-c1ccccn1 77199898 JFYUIIAHONJANL-AWEZNQCLSA-N 381.867 3.997 0 40 GHAB Cc1csc(Sc2ccc(NC(=O)N[C@H]3CCCC[C@H]3C(N)=O)cc2)n1 79095845 JXZIRKBKZROYQY-CABCVRRESA-N 390.534 3.768 0 40 GHAB O=c1c(Cl)c(NCC[C@H]2CCCO2)cnn1-c1cccc(C(F)(F)F)c1 84383321 TUBUXUHDHSZVST-CYBMUJFWSA-N 387.789 3.886 0 40 GHAB O=C1CCCc2cc(C(=O)NCCCc3nc4c(s3)CCCC4)ccc2N1 84452051 UXHVKNVYENXVOP-UHFFFAOYSA-N 383.517 3.659 0 40 GHAB COc1ccc(C2=CCN(C(=O)[C@H](c3ccccc3)N3CCSCC3)C2)cc1 95456659 USQYRISLUIUMMD-QFIPXVFZSA-N 394.540 3.711 0 40 GHAB COCc1ccc(C(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)o1 95939513 KEZSQIBHFAOHIM-GFCCVEGCSA-N 399.472 3.999 0 40 GHAB Cc1ccc(NC(=O)/N=c2\c3ccccc3[nH]c(=O)n2Cc2cccs2)cc1 101114000 YDCVDZNTSXUIFD-LYBHJNIJSA-N 390.468 3.881 0 40 GHAB Cc1cccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1C 102623721 PGELIPHLLONTLO-ZCLUNYJNSA-N 387.435 3.834 0 40 GHAB CCc1ccc(N(CCCC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1 222641073 ZIGKWUZBTOXLHD-QGZVFWFLSA-N 388.533 3.673 0 40 GHAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 223684151 KECRFCCXWIQQOX-PMACEKPBSA-N 398.532 3.534 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC(C)(C)Oc2ccccc21 223942397 DXNYDGYTOWOYAL-AWEZNQCLSA-N 381.881 3.929 0 40 GHAB C[C@H]1CCCN(c2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cn2)C1 224045942 RYMUULZNKHIZND-AWEZNQCLSA-N 384.505 3.533 0 40 GHAB CCN1CCN(C(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)CC1 224198556 QQFZOPDMDIFYAA-UHFFFAOYSA-N 382.504 3.669 0 40 GHAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F 224428000 WBCBGLXEANGOGJ-WOJBJXKFSA-N 396.491 3.846 0 40 GHAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H](C)C(C)C)c2)CC1 225206134 UWVMEKKMEDAMQM-CQSZACIVSA-N 386.945 3.535 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 225380303 JPOKWCXJIMXFJD-RTBURBONSA-N 396.531 3.878 0 40 GHAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(N2CCc3sccc3C2)CC1 225689269 XMEXTDPDBYIIIG-UHFFFAOYSA-N 392.528 3.801 0 40 GHAB O=S(=O)(Cc1noc2ccccc12)NCc1ccnc(-c2ccsc2)c1 225758563 OLSBGEYGRWOEPF-UHFFFAOYSA-N 385.470 3.571 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3snnc3-c3ccccc3)CC2)c1C 225761064 MMVPWBCNNTWMJD-UHFFFAOYSA-N 378.501 3.784 0 40 GHAB Cn1cncc1-c1cccc([C@H]2CCCN(Cc3ccc(C(=O)O)cc3)C2)n1 257207711 BIWZUKMCBZCILR-SFHVURJKSA-N 376.460 3.560 0 40 GHAB Cc1nc(-c2nccn2C)cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2)n1 257323468 WKHOHIIGHACBTJ-IBGZPJMESA-N 379.439 3.692 0 40 GHAB CN(C)C(=O)[C@]1(c2ccccn2)CCCN1Cc1ccccc1OC1CCCC1 257335559 YKRVTXBATLARGW-XMMPIXPASA-N 393.531 3.983 0 40 GHAB COc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc(F)cc4)C2)OC3)cc1 306137432 QWBFRFKDZQHSFZ-QHCPKHFHSA-N 393.462 3.873 0 40 GHAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1NC(=O)c1ccc(Cl)cc1 408623077 OTNQGYDTUJHDIE-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1 409162080 CNCOTHDTIHBXMK-GZTJUZNOSA-N 396.468 3.987 0 40 GHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1C 409166415 DPKRJUVZFPCRHQ-WOJGMQOQSA-N 396.468 3.987 0 40 GHAB Cc1n[nH]cc1C1CCN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 585081354 KZOUREVXIBBPRK-UHFFFAOYSA-N 398.841 3.791 0 40 GHAB Cc1cc(NC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)c(N(C)C)nn1 626606301 ADUGKLGRLUSRKR-CQSZACIVSA-N 375.423 3.541 0 40 GHAB Cn1nc(-c2ccsc2)cc1NC(=O)N[C@H]1CCO[C@@H](c2cccnc2)C1 653032227 COSUPHLSFZIGHP-DOTOQJQBSA-N 383.477 3.585 0 40 GHAB Fc1ccc2ncnc(N3CCC(COc4cc5c(nn4)CCCC5)CC3)c2c1 1565522860 AMYKDUJLHHBWBK-UHFFFAOYSA-N 393.466 3.733 0 40 GHAB Cc1cc(C)cc(C(=O)NCC(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 36210018 OPTQNSKABBKNRD-INIZCTEOSA-N 392.455 3.638 0 40 GHAB COc1ccc(Cl)cc1CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 40106163 IZBSZPRZUUTUHE-KBPBESRZSA-N 395.908 3.529 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)o1 875867 CLFNYWOHXIHOCW-HUUCEWRRSA-N 375.494 3.839 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)N(C)Cc2ccc(C(=O)NC)cc2)c1 40103911 QAOMHYUJTUVCJA-UHFFFAOYSA-N 385.464 3.508 0 40 GHAB Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)o1 28251272 AIFBVOFLZDKUOU-HNNXBMFYSA-N 385.391 3.655 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2N)cc1 3406286 NMEBFXQWSGHTSD-UHFFFAOYSA-N 397.504 3.522 0 40 GHAB C[C@@H](CNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccccc1 6876363 MCVGRKLMLQBLOA-HNNXBMFYSA-N 394.427 3.507 0 40 GHAB CCN1C(=O)N/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O 6950975 WZAVBVPANGVSNA-ZROIWOOFSA-N 375.222 3.930 0 40 GHAB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1cccs1 7881646 HJHHFBADLNHOEF-JTQLQIEISA-N 398.267 3.834 0 40 GHAB Cc1cc(CS(=O)(=O)c2nc(C)c(C)n2[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)on1 107342079 BOLGUMXMXLLPST-MUQADHOPSA-N 377.510 3.767 0 40 GHAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCOc2ccccc21 28666128 HEVAPGCLEPJBDH-SUMWQHHRSA-N 388.876 3.783 0 40 GHAB COc1ccccc1[C@@H]1c2c(ncn(CCO)c2=N)Oc2ccc3ccccc3c21 101366266 IPVYXXRZPLEQOZ-NRFANRHFSA-N 399.450 3.803 0 40 GHAB O=C1/C(=C/Nc2ccc3c(c2)OCO3)c2ccccc2C(=O)N1c1nccs1 102230060 RWAZKCNLNGBGBL-XNTDXEJSSA-N 391.408 3.512 0 40 GHAB Cc1cc(Br)ccc1N1C[C@H](C(=O)Nc2ccccc2F)CC1=O 32796250 IIFZIOQAWIPBQV-GFCCVEGCSA-N 391.240 3.888 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(Cl)cc1C(C)=O 8519207 OBDUEKJUQJAFLL-UHFFFAOYSA-N 390.823 3.527 0 40 GHAB COc1ccccc1COC[C@H](O)CN(Cc1ccc(F)cc1F)C1CC1 59375659 KBZPERYHMYYRBS-LJQANCHMSA-N 377.431 3.516 0 40 GHAB Cc1cc(-n2nnc(C(=O)NCCc3ccccc3)c2C)ccc1Br 51317918 CUBMSSIHVBRLMC-UHFFFAOYSA-N 399.292 3.619 0 40 GHAB COc1ccccc1COC[C@@H](O)Cn1c(C(F)(F)F)nc2ccccc21 32907307 MWDVPJOGOTWIOG-AWEZNQCLSA-N 380.366 3.641 0 40 GHAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 32909579 PKGFIFWBZBZNQS-RTWAWAEBSA-N 395.503 3.900 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(-n2ccnc2C)cc1 20451649 XDFNOOIIKVZKNJ-OAQYLSRUSA-N 379.460 3.663 0 40 GHAB CC(C)c1ccc(OCC(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1 21123757 AXPSPWJWDWYRQY-UHFFFAOYSA-N 393.472 3.994 0 40 GHAB COCCn1c(C)cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c1C 2626906 ZHQXWQBIZFWGAO-UHFFFAOYSA-N 398.532 3.675 0 40 GHAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)NC2CC2)cc1 12062332 FJZNALWIOTXOPE-UHFFFAOYSA-N 381.501 3.794 0 40 GHAB COCc1nn2c(O)cc(CCc3c(C)n[nH]c3C)nc2c1-c1ccc(C)cc1 100775676 CTEFUYKBLRPTGC-UHFFFAOYSA-N 391.475 3.682 0 40 GHAB O=C(Nc1ccc(Cl)cc1Cl)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100741017 MQOGQOURAZOPPE-VXGBXAGGSA-N 378.259 3.806 0 40 GHAB CCCNC(=O)C1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 42685475 BUHYDVAXCFGDMN-LBPRGKRZSA-N 386.323 3.559 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2N2CCCCC2)cc1 1276443 AOAOJWGVJZWTDV-UHFFFAOYSA-N 396.516 3.754 0 40 GHAB CCc1nn2c(C)c(C(=O)Nc3ccccc3)nnc2c1-c1ccc(OC)cc1 20672905 NLXZSYGIMCFVNZ-UHFFFAOYSA-N 387.443 3.923 0 40 GHAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(O)c2)n1 1287687 ODRUCDJPFCDMHQ-HXUWFJFHSA-N 384.391 3.952 0 40 GHAB CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 113882775 PFTSKPDPLVZMFF-UHFFFAOYSA-N 388.272 3.752 0 40 GHAB CN(CCC(=O)N1CCc2sccc2C1)Cc1cc(Br)cs1 55903435 WHSHNMKKHUTHRT-UHFFFAOYSA-N 399.379 3.979 0 40 GHAB COc1ccccc1NC(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409137460 VHZJZZPFTAOGAV-UHFFFAOYSA-N 396.428 3.602 0 40 GHAB O=C(NC[C@@H]1Cc2ccccc2O1)Nc1cccc(COC[C@@H]2CCCCO2)c1 47627227 LZXJMNDJRGQEGV-SFTDATJTSA-N 396.487 3.898 0 40 GHAB COC(=O)c1c(NC(=O)CN[C@@H](C)c2ccccc2Cl)sc2c1CCC2 57315212 UGTRLUUWCFZYFP-NSHDSACASA-N 392.908 3.966 0 40 GHAB CCCNC(=O)[C@H](C)Sc1nc(N)c(-c2ccc(Cl)cc2)c(CC)n1 27070989 RJJGCAHNGPRXTM-NSHDSACASA-N 378.929 3.948 0 40 GHAB O=C(Nc1ccc(C2SCCS2)cc1)C1CCN(C(=O)C2CC2)CC1 25193794 ZNRFRRAAECHHLD-UHFFFAOYSA-N 376.547 3.752 0 40 GHAB O=C(NCc1ccc(OC2CCCC2)nc1)c1cc(-c2ccc(F)cc2)[nH]n1 57996537 MJTKMFMQRMLMRR-UHFFFAOYSA-N 380.423 3.862 0 40 GHAB CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccc(F)cc3)n2)s1 12787658 JSOYYXHUIWUMAC-UHFFFAOYSA-N 382.507 3.769 0 40 GHAB CN(Cc1ccccc1F)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 12779895 SHIZMNBHVJOXGB-FQEVSTJZSA-N 398.478 3.783 0 40 GHAB COc1ccc([C@H](CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)N2CCCCC2)cc1 12781688 XIJJVCIDQPDCJR-FQEVSTJZSA-N 397.519 3.800 0 40 GHAB CCN(CC)S(=O)(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 12887469 YFNLEWPIHWTFQS-UHFFFAOYSA-N 398.532 3.558 0 40 GHAB COCCCn1cnnc1SCC(=O)Nc1ccc(-c2ccccc2)cc1 3534189 VPWDJRHRBPIABA-UHFFFAOYSA-N 382.489 3.712 0 40 GHAB NC(=O)COc1cccc(NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)c1 12999052 JCRXJUSBMYXPEY-FNORWQNLSA-N 398.768 3.875 0 40 GHAB Cc1nnc(SCCCc2nc(-c3ccncc3)no2)n1Cc1ccccc1 13008684 CECUKPCDPHUVEK-UHFFFAOYSA-N 392.488 3.805 0 40 GHAB COCCNC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4 4089763 MGRUWQAUQDDGQO-UHFFFAOYSA-N 397.471 3.730 0 40 GHAB biogenic Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3cccc(N)c3)c3ccccc32)cc1 4123134 PXBBGWKRQCKSBB-XMMPIXPASA-N 386.451 3.585 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)N3CC[C@@H](C(F)(F)F)n4nccc43)c12 13642076 LIBSRVMVTZFAQF-ZDUSSCGKSA-N 391.353 3.759 0 40 GHAB C[C@H](Sc1nnc(-c2ccccc2F)n1C)c1nc2ccccc2c(=O)[nH]1 6106376 ASUVGLJIHIYKER-NSHDSACASA-N 381.436 3.711 0 40 GHAB CCOC(=O)c1c(NC(=O)c2ccccc2S(=O)(=O)CC)sc(C)c1C 5240942 BFOILPBMBPTJFW-UHFFFAOYSA-N 395.502 3.588 0 40 GHAB Cc1sc2ncn(CCC(=O)NCC3(c4ccccc4)CCC3)c(=O)c2c1C 14196553 ZGXINHOBBQKTMW-UHFFFAOYSA-N 395.528 3.703 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc2ccccc2oc1=O 7823859 LQLNZEACRVQMON-UHFFFAOYSA-N 387.439 3.585 0 40 GHAB COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1 4553385 JYABSRHITSIZEG-UHFFFAOYSA-N 392.436 3.657 0 40 GHAB Cc1cc(C)cc(NC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 14236826 VUFHYYQAARXTGD-UHFFFAOYSA-N 399.541 3.962 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 5635927 JGJAHVAEGUQZHR-UHFFFAOYSA-N 397.500 3.524 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cnc2ccccc2n1 6848730 ZZVPCGBYCWUVEQ-UHFFFAOYSA-N 376.397 3.734 0 40 GHAB Cc1ncc(CN(C)C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)s1 66956539 RKRKDJZFGCXWJD-UHFFFAOYSA-N 382.493 3.710 0 40 GHAB O=C1C[C@H](c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc2c(c1)OCCO2 8605203 KJNAONZDZUTABK-ZDUSSCGKSA-N 397.818 3.682 0 40 GHAB COC(=O)c1ccc2nc(NC(=O)c3ccc(Br)o3)sc2c1 8904248 GMDOLWOFNJDUPE-UHFFFAOYSA-N 381.207 3.691 0 40 GHAB CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc2c(c1)CCCC2 9193328 NLYCUIVLUTVLIF-UHFFFAOYSA-N 396.516 3.845 0 40 GHAB Cc1noc2ncc(C(=O)N3CCCC[C@@H]3c3nc(-c4ccccc4)no3)cc12 71862778 LULIPPXRUSEKBG-QGZVFWFLSA-N 389.415 3.949 0 40 GHAB CCc1nc2cc(NC(=O)C3=NN(c4ccccc4)[C@H](C(C)=O)C3)ccc2o1 83830554 HUAKMRPPTXPUMO-SFHVURJKSA-N 376.416 3.553 0 40 GHAB c1ccc(CN2CC[C@H]2c2nc(-c3ccc(CN4CCOCC4)cc3)no2)cc1 97101337 IOIHNRXGPGHQOT-NRFANRHFSA-N 390.487 3.516 0 40 GHAB O=C(NCCCN1c2ccccc2Sc2ccccc21)c1ccc(=O)[nH]c1 84582930 GDVUUFUGJHCVCB-UHFFFAOYSA-N 377.469 3.798 0 40 GHAB CCNC(=O)C1CCN(C(=O)c2csc(-c3cc4ccccc4o3)n2)CC1 95957325 MPBNXXOZQHYNCW-UHFFFAOYSA-N 383.473 3.545 0 40 GHAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 95975757 KVENKNMGBSUUPT-VGSWGCGISA-N 388.467 3.767 0 40 GHAB COc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1OC1CCCC1 24505836 NDRPOIQXBYWXJI-UHFFFAOYSA-N 382.460 3.775 0 40 GHAB CCOc1ccccc1C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 90504278 CPFLGSAZVXTEAZ-UHFFFAOYSA-N 391.471 3.840 0 40 GHAB O[C@H](CN[C@H]1CCOC2(CCSCC2)C1)Cc1ccc(C(F)(F)F)cc1 515638089 QELZJORVHYHCPQ-IRXDYDNUSA-N 389.483 3.643 0 40 GHAB O=C(O)CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 38528777 WNGQUSSMDLUWLH-IBGZPJMESA-N 397.427 3.623 0 40 GHAB O=C(NCCc1ccccc1F)Nc1cc2c(cc1Br)OCCO2 43455965 DQAQNPWJHSUKJV-UHFFFAOYSA-N 395.228 3.724 0 40 GHAB O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349904 VSTYGAVUSKDCKE-QGZVFWFLSA-N 377.419 3.596 0 40 GHAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1 223517819 WZKDLVYXCPTUNJ-FQEVSTJZSA-N 380.532 3.995 0 40 GHAB O=C1Nc2ccc(Br)cc2/C1=N\Nc1ccc(Cl)c(C(=O)O)c1 43776847 XQPGQENZJMCKAV-UHFFFAOYSA-N 394.612 3.569 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 225184123 LIDDIONCNIUFIU-HNNXBMFYSA-N 390.936 3.737 0 40 GHAB CCOC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(SC)cc1 224973292 DULIZJXJZKBZNX-UHFFFAOYSA-N 393.530 3.784 0 40 GHAB COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1c(C)cc(C)cc1C 223639986 IVXHALBSYPUNQV-UHFFFAOYSA-N 391.489 3.986 0 40 GHAB CCNc1nnc(SCCC(=O)Nc2ccc(Br)cc2)s1 40127766 NYWBBIWFKLYRHZ-UHFFFAOYSA-N 387.328 3.853 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C)C2)c1 225921611 JTMLUZIBTJVPJE-GOSISDBHSA-N 386.517 3.651 0 40 GHAB CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(OCC)c(Cl)c2)cc1 223010162 CLQPCHRPVNEZMT-UHFFFAOYSA-N 397.880 3.645 0 40 GHAB CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C)cc1 222750286 YAGYORZVFHMVIW-UXHICEINSA-N 377.517 3.541 0 40 GHAB CCn1nc(C)c(CC(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)c1C 585085832 BIESTHXCHPJVAR-FQEVSTJZSA-N 377.492 3.823 0 40 GHAB CO[C@@]1(COc2ccc(C)cc2)CCCN(CC(=O)NCc2ccccc2)CC1 257286202 PKSHOCYGWNCMNX-DEOSSOPVSA-N 396.531 3.561 0 40 GHAB COc1cccc(C(=O)N2CCO[C@@H](c3cccc(-c4c(C)noc4C)n3)C2)c1 257306671 SVHQBWUBELPUJV-HXUWFJFHSA-N 393.443 3.576 0 40 GHAB CN(Cc1ccccc1)C(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257366571 WSKVAEGKMKDBPR-KTXJPYHWSA-N 389.499 3.633 0 40 GHAB NC(=O)CC1(COc2ccccc2)CCN(C(=O)c2ccccc2Cl)CC1 257313327 URXJGHMAUMAOBW-UHFFFAOYSA-N 386.879 3.517 0 40 GHAB COc1cc(C)ccc1CN1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1 257318319 VNJXJHRVVZBENY-FQEVSTJZSA-N 391.475 3.506 0 40 GHAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ccccn1)[C@H]2Cc1ccccc1 257321147 WAGTZBDBVGOZGJ-CHSSDKTLSA-N 375.516 3.780 0 40 GHAB Cc1cc(OC(F)F)c(C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)s1 95991334 OEYYKVXVHXOTTK-FBWYHRDQSA-N 375.437 3.710 0 40 GHAB C[C@H]1CN(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@@H](C)O1 667121846 MJLVXRCSTUYWHG-OLZOCXBDSA-N 382.386 3.922 0 40 GHAB O=C1CC(=O)N(c2nc(-c3ccccc3)cs2)C(=S)N1c1ccccc1 5685214 WXHABGDAEGYZGU-UHFFFAOYSA-N 379.466 3.865 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CCCN(C)S(=O)(=O)c1cccs1 12939137 VLTVLJWCXJGNJH-UHFFFAOYSA-N 386.926 3.749 0 40 GHAB COC(=O)c1ccc(CN(C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)cc1 13018280 GSAJJCYSXKSZFX-OAQYLSRUSA-N 399.531 3.951 0 40 GHAB CCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 19755637 DSUXFRUDKWYEBV-KRWDZBQOSA-N 382.464 3.510 0 40 GHAB O=S(=O)(Cc1ccccc1)N1CCN(C2CCC(c3ccccc3)CC2)CC1 19888782 OIQDAHGMQCNTDT-UHFFFAOYSA-N 398.572 3.860 0 40 GHAB Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1N1CCCC1=O 19933944 NYHCUBAPSFPPHU-UHFFFAOYSA-N 378.881 3.884 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1nc(-c2ccccc2Cl)no1 169884514 YGFKHLAKFQDNMB-UHFFFAOYSA-N 398.271 3.663 0 40 GHAB O=C(CCSc1ccccc1)NCC1CCN(C2CCSCC2)CC1 252489701 JXLYGYCBDNFZIA-UHFFFAOYSA-N 378.607 3.893 0 40 GHAB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2Br)NC(=O)N1 1438298 XCMCRRPYLCROMN-HNNXBMFYSA-N 379.254 3.563 0 40 GHAB COc1ccc(-c2nnc3ccc(SCC(=O)c4ccccc4)nn23)cc1 4165023 PRPJQEFAUBPHBS-UHFFFAOYSA-N 376.441 3.775 0 40 GHAB CCC(=O)N1N=C(c2cccc(NS(=O)(=O)CC)c2)C[C@H]1c1ccccc1C 4148357 HAQJTLIEAJWNKX-FQEVSTJZSA-N 399.516 3.844 0 40 GHAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccccc1Br 5154052 PXGLIZGFDWLLKN-UHFFFAOYSA-N 385.261 3.927 0 40 GHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 8840551 QYKGAUMMHAMBSS-UHFFFAOYSA-N 378.881 3.830 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(CC(=O)NC2CC2)cc1 13715964 AGNVHNSFKNRIQR-UHFFFAOYSA-N 393.270 3.832 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)Nc1cccc2cccnc12 7709476 UQWNFKMVDFTHBN-UHFFFAOYSA-N 393.262 3.807 0 40 GHAB C[C@@H]1ON=C(c2ccccc2Cl)[C@H]1C(=O)NCCOc1ccc(Cl)cc1 104529442 YUXYPQVRJXOKMX-SJCJKPOMSA-N 393.270 3.928 0 40 GHAB CCc1nc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cs1 30263633 CJLKQHZMLNBEOX-UHFFFAOYSA-N 384.332 3.970 0 40 GHAB O=C(O[C@@H](C(=O)NC1CCCCC1)c1cccnc1)C1=Cc2ccccc2OC1 1345124 UJCJYVVBCSYRFJ-OAQYLSRUSA-N 392.455 3.591 0 40 GHAB Cc1ccc(C(=O)COC(=O)C2CCN(c3nc4ccccc4o3)CC2)s1 36644388 DQEULHMBLRSJOP-UHFFFAOYSA-N 384.457 3.840 0 40 GHAB C[C@H](O)CNc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCCC3 2441646 BJHSGVWKRXWNEU-HNNXBMFYSA-N 397.544 3.762 0 40 GHAB CCOc1ccccc1NC(=S)N1CCC(NC(=O)c2ccccc2)CC1 4857648 WGPFXXJTLYHCDV-UHFFFAOYSA-N 383.517 3.677 0 40 GHAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(F)ccc1-n1cnnn1 20715945 RBPQKYQHCABGMM-UHFFFAOYSA-N 389.390 3.633 0 40 GHAB CCCN1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)CC1 4980712 ASMJKXISLRIIOM-UHFFFAOYSA-N 393.510 3.946 0 40 GHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc(C)cc2C)cc1 6386285 FZWJCHKYDBVUCW-UHFFFAOYSA-N 385.489 3.544 0 40 GHAB CCc1nnc([C@H]2C(=N)S/C(=C\c3cccc(OC)c3OC)C2=O)s1 6621451 AKVYOUWUIJKLCF-MRODFDRBSA-N 375.475 3.536 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)on3)sc2C)c1 6680194 PMGOARXNIIIPHH-UHFFFAOYSA-N 391.474 3.714 0 40 GHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1 6709376 DMPWJOMPZDAYKY-UHFFFAOYSA-N 385.489 3.949 0 40 GHAB CCNc1c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c(=O)oc2ccccc12 6784714 RQRPRWUIJYZDQG-UHFFFAOYSA-N 396.827 3.818 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 6946447 PVLYPPVVQHIQCQ-HNNXBMFYSA-N 394.924 3.840 0 40 GHAB CCOc1ccc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2)cc1 6963064 ITYMNZRXPSQSLN-UHFFFAOYSA-N 384.501 3.874 0 40 GHAB O=C(Cc1ccccc1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 7388385 HVRLFKPDSYKTPE-UHFFFAOYSA-N 386.776 3.788 0 40 GHAB COc1ccc(CNC(=O)CCCOc2ccc(Cl)cc2)c(OC)c1OC 52492389 RUBCCEMVAAEPQT-UHFFFAOYSA-N 393.867 3.841 0 40 GHAB C[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(F)cc2Br)C1=O 8735119 BFTFWJNLGXBKAG-KRWDZBQOSA-N 377.213 3.555 0 40 GHAB CCSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 55703736 IUEMCDWTZRWNJR-UHFFFAOYSA-N 398.937 3.711 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 32722448 WFOYYPYGASIRQO-LJQANCHMSA-N 386.492 3.527 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cncc(Br)c1 21597894 LETGGJCMMSVNBP-NSHDSACASA-N 376.254 3.625 0 40 GHAB O=C(c1cc(Br)ccc1O)N1CCC(OCc2ccccc2)CC1 32853790 ZCCPGEFRTYCWGE-UHFFFAOYSA-N 390.277 3.976 0 40 GHAB CCc1cccc(NC(=O)Cn2c(=O)c(N3CCCCC3)nc3ccccc32)c1 21657638 APXMDKUHURWKFR-UHFFFAOYSA-N 390.487 3.588 0 40 GHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Br)s2)cc1 10675394 BOZRPXQFNILEJK-SNVBAGLBSA-N 390.324 3.949 0 40 GHAB COc1cc(C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)cc(Cl)c1OC(C)C 11823950 NWJMVIKSWNPMAI-AWEZNQCLSA-N 397.899 3.940 0 40 GHAB CCOC(=O)COc1cccc(NC(=O)c2ccc(F)cc2Br)c1 33188967 QELWJAJNXJQWBN-UHFFFAOYSA-N 396.212 3.782 0 40 GHAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(C(F)(F)F)cc1 2635883 TWUPDZVBKSFGJM-UHFFFAOYSA-N 376.334 3.911 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)NCc2ccccc2OCc2ccccc2)cc1 46500326 NFKUMHLFDBPCET-UHFFFAOYSA-N 395.480 3.599 0 40 GHAB O=C(CN1CCO[C@@H](c2ccccc2Cl)C1)NCc1ccc(Cl)s1 103490281 NDBNYVQEQZNIMI-OAHLLOKOSA-N 385.316 3.745 0 40 GHAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)c[nH]c12 106758602 PMLREEHZRIKFCR-BOPFTXTBSA-N 397.500 3.779 0 40 GHAB O=C(O)[C@@H]1CS[C@H](c2ccc(F)cc2)N1C(=O)Cc1ccc(Cl)cc1 729557 PZWGTZHCYVYLRW-DOTOQJQBSA-N 379.840 3.749 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 23023697 DWPKDSZEWLTHGT-HKUYNNGSSA-N 398.528 3.973 0 40 GHAB Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)s1 2704448 MTVAFSPULZWYPB-INIZCTEOSA-N 375.409 3.703 0 40 GHAB Cc1n[nH]c(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)c1Br 54705280 TYADCAAXEYJPAX-UHFFFAOYSA-N 378.255 3.581 0 40 GHAB COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2F)c(Br)c1 24841955 OGDZUJUGYOKFAB-JTQLQIEISA-N 396.212 3.781 0 40 GHAB CCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnccn4)o3)CC2)cs1 100156089 LPLINSBBUZZGIE-OKILXGFUSA-N 397.504 3.854 0 40 GHAB CC1(C)CC[C@H](NC(=O)NC2CCN(c3ncccn3)CC2)c2ccccc21 57634480 BQZHTDUMICSPRO-IBGZPJMESA-N 379.508 3.557 0 40 GHAB CC(C)c1ccc(CNC(=O)c2sccc2NC(=O)c2cnccn2)cc1 67335485 FWXXEFAOXFUTMY-UHFFFAOYSA-N 380.473 3.844 0 40 GHAB CCc1ccc(NC(=O)c2sc3ncn(CCCOC)c(=O)c3c2C)cc1 35672669 QZMDEAXAYBPQNX-UHFFFAOYSA-N 385.489 3.618 0 40 GHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(ccn2CC(=O)N(C)C)c1 58017179 VBRDBKSLMLWIFF-AWEZNQCLSA-N 399.878 3.789 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NC(=O)C2CC2)s1 10306452 GIMAATYEFQKOKE-UHFFFAOYSA-N 380.473 3.555 0 40 GHAB CCc1ccc(C(=O)CCC(=O)Nc2cccc(-n3nnnc3SC)c2)cc1 58331967 GIUNHXULROJEOD-UHFFFAOYSA-N 395.488 3.548 0 40 GHAB O=C1NCCN1c1cccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1 45061033 JUQFWSRSVQLARS-UHFFFAOYSA-N 387.842 3.814 0 40 GHAB COC(=O)c1sc(NCc2ccc(-n3ccnc3C)c(F)c2)nc1Cl 58413500 IBZOTWKJOYAJGI-UHFFFAOYSA-N 380.832 3.828 0 40 GHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2c(c1)OCCO2 3297665 JBPJOOCUOOPSRP-UHFFFAOYSA-N 390.443 3.695 0 40 GHAB O=c1c2ccccc2sn1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 3206038 WQSAMRCEBOEVNS-UHFFFAOYSA-N 388.514 3.617 0 40 GHAB COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OC(=O)c1cccs1 3251238 SJFVHVMPWNJKFY-GOSISDBHSA-N 380.425 3.830 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1 3297223 AXHMRKYXPOOMIY-FQEVSTJZSA-N 379.412 3.613 0 40 GHAB NC(=O)CCN(C(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(F)cc1 12763220 PRVYPDQJYWWJST-UHFFFAOYSA-N 386.370 3.960 0 40 GHAB C[C@H]1CCc2sc(C(=O)OCC(=O)NC(=O)c3ccc(Cl)cc3)cc2C1 3399865 ITTCWCRNBWWTEB-NSHDSACASA-N 391.876 3.640 0 40 GHAB COc1ccc(-n2cnnc2SCC(=O)N[C@@H]2CCCc3ccccc32)cc1 3398464 FWNZPHIROWUATF-LJQANCHMSA-N 394.500 3.562 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2cccs2)c1 3398705 YMJLGRZMZWELQM-UHFFFAOYSA-N 386.498 3.503 0 40 GHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@@H]1COc2ccccc2C1 8133212 RDKYXGQNUAITCI-SFHVURJKSA-N 388.471 3.861 0 40 GHAB Cc1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc(S(=O)(=O)N(C)C)c1C 12912504 OSWVHZOHPPTDPW-YQVWRLOYSA-N 392.565 3.642 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)c1 12978398 NFIQRWJSGIUKEJ-KBPBESRZSA-N 389.521 3.891 0 40 GHAB CCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 13030841 ISOYRNNVTKCAPN-UHFFFAOYSA-N 381.476 3.826 0 40 GHAB COc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c(OC)c1 13362265 IFZZYTHLEXZPGE-UHFFFAOYSA-N 396.399 3.810 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@@H](C)n1nnc2sc3c(c2c1=O)CCCC3 5183358 LZNLBBWUMUTXRM-CYBMUJFWSA-N 396.516 3.802 0 40 GHAB COc1cc2c(cc1OC)C1=NC(=O)CN1C(SCc1ccc(C)cc1)=N2 6211924 ZPVNGJSECATYIP-UHFFFAOYSA-N 381.457 3.536 0 40 GHAB CN1CCC2(CC1)C[C@H](NC(=O)c1ccc3c(c1)CCC3)c1ccccc1O2 8428255 VIGLLAPXWWIJTD-NRFANRHFSA-N 376.500 3.893 0 40 GHAB CCOC(=O)C1=NN[C@]2(CCc3ccccc3C2=O)[C@H]1c1ccc(Cl)cc1 5277633 NAOJGKOEMKQKQH-LAUBAEHRSA-N 382.847 3.514 0 40 GHAB O=C(Nc1cc2c(cc1Cl)OCCO2)N1CCN(Cc2ccsc2)CC1 65576333 NNHINMZTSPBYMK-UHFFFAOYSA-N 393.896 3.522 0 40 GHAB O=C(CSc1ncccc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 14163866 AFGCOHHVPSKERZ-OAHLLOKOSA-N 390.892 3.962 0 40 GHAB CCOc1ccc(C2=NN(C(=O)Cc3ccccc3)[C@](O)(C(F)(F)F)C2)cc1 4550246 XQDWSEDRBXQCPF-LJQANCHMSA-N 392.377 3.515 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc4ccccc4s3)n2)cc1C 5401764 DRRCLKRWBPMXJT-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc(OCC)c2)cc1 4682337 IMBMKURLNZTTPH-UHFFFAOYSA-N 386.473 3.779 0 40 GHAB O=C1N[C@H](CCc2ccccc2)C(=O)N1Cc1ccc(Br)cc1F 6646676 GLIDVPBDBGYXTA-MRXNPFEDSA-N 391.240 3.641 0 40 GHAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1OC(F)F 4878907 JBTYYUVLOPKYSE-HNNXBMFYSA-N 378.379 3.512 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccccc1)S2 6811845 KZYPNKNBSNGJDH-ZWKOTPCHSA-N 379.489 3.547 0 40 GHAB CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 15026438 GXEQPEZAZUYURR-HNNXBMFYSA-N 398.484 3.513 0 40 GHAB Cc1cccc(-n2c(C)nnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)c1 6980411 RPRZMNMEENEGLY-LJQANCHMSA-N 378.501 3.996 0 40 GHAB Cc1cc(C)nc(NC(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)n1 27973285 YGKYUWLNMHUHSH-UHFFFAOYSA-N 391.353 3.598 0 40 GHAB COc1ccc(Br)cc1CN(C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 9376220 ULAOBHNTFGKMLR-UHFFFAOYSA-N 393.281 3.877 0 40 GHAB CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4ccncc4)sc3C)cc21 19796529 BIFHLBLLDLRLDB-UHFFFAOYSA-N 394.456 3.511 0 40 GHAB O=c1[nH]c(=S)n(-c2ccc(Cl)cc2)c2c1CN(CCc1ccccc1)CN2 19939114 SWBITFZPPOERQO-UHFFFAOYSA-N 398.919 3.976 0 40 GHAB COc1cc(OC)c([C@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc1OC 96221735 GCWMUONWKOYGGF-CQSZACIVSA-N 396.395 3.568 0 40 GHAB biogenic O=C(CSc1nnnn1C[C@H]1CCCO1)c1ccc(C2CCCCC2)cc1 9478151 YHKPCYQWPYQJDJ-GOSISDBHSA-N 386.521 3.875 0 40 GHAB CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)CCc1ccc(OC)c(OC)c1 89942254 GHTDJMUGOWUTME-OAHLLOKOSA-N 379.497 3.605 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2CC)cc1OCC 72312990 FQAOISZXKMOYTM-UHFFFAOYSA-N 393.461 3.545 0 40 GHAB CCN(C(=O)Nc1c(C)nn(C(C)C)c1C)[C@H]1CCN(c2ccccc2)C1=O 72305789 PJZVIUGNBVYBRQ-SFHVURJKSA-N 383.496 3.740 0 40 GHAB CO[C@]1(C)C[C@@H](NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1(C)C 97212707 ZTWKIBQRMCZURW-SJKOYZFVSA-N 383.370 3.689 0 40 GHAB O=C(Cn1cccn1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2 84615235 JEMCXAGNJPXDAI-UHFFFAOYSA-N 385.876 3.956 0 40 GHAB O=C(Nc1c[nH]nc1[C@H]1CCCN(c2ccnc(C3CC3)n2)C1)C1CCCC1 95999563 OPOFDRAGRSLTMD-INIZCTEOSA-N 380.496 3.590 0 40 GHAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cccc(C(N)=O)n3)cccc2c1=O 95960850 BAMUHRCZXVLEBQ-UHFFFAOYSA-N 399.406 3.515 0 40 GHAB O=C(NCc1ccccn1)c1ccn(COc2c(Cl)cccc2Cl)n1 27972706 PQONAMFJSGKENK-UHFFFAOYSA-N 377.231 3.551 0 40 GHAB COc1cc(CN(C)C(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)sn1 1558565152 CXBHASAONQHQCG-UHFFFAOYSA-N 378.457 3.967 0 40 GHAB O=C(Sc1nnc(-c2ccncc2)o1)c1cc(Br)ccc1O 408599527 VTENQOKSNDDTCB-UHFFFAOYSA-N 378.207 3.532 0 40 GHAB C[Si](C)(C)c1c(I)cc(Br)c(F)c1F 307393365 ATYKKOFBPWGTQV-UHFFFAOYSA-N 391.069 3.877 0 40 GHAB CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1OCc1ccccc1 409042527 YEHLBGIPUTVICE-ATVHPVEESA-N 382.485 3.694 0 40 GHAB CC1CCN(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccccc2)CC1 33249276 ZRWGWHWVIRQYGV-UHFFFAOYSA-N 394.496 3.940 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1Cl 30754004 AYYGXADYMSFCNP-UHFFFAOYSA-N 394.880 3.585 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc(F)cc1Cl 32860133 MINAQUFERYHFQD-CYBMUJFWSA-N 389.858 3.675 0 40 GHAB COCCCNC(=O)c1cccc(Sc2cccc(Br)c2)n1 525010031 KEDHSNKBTVJJCD-UHFFFAOYSA-N 381.295 3.762 0 40 GHAB CCn1cc(-c2nc(-c3ccc(OC)cc3OC)no2)c(=O)c2cc(F)ccc21 38654226 LOMNVUYJRFDRHI-UHFFFAOYSA-N 395.390 3.895 0 40 GHAB O=C(CCn1ncc2ccccc21)N[C@H]1CCCc2c1cnn2Cc1ccccc1 72396251 DJTKASOPWUTKAF-NRFANRHFSA-N 399.498 3.865 0 40 GHAB COc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3CCc2ccccc2)cc1 32101333 OWPAWVQHPMQTGX-UHFFFAOYSA-N 392.480 3.680 0 40 GHAB COc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(F)cc3F)c[nH]2)cc1 72322011 NJYATKWNDSKAAD-FQEVSTJZSA-N 385.414 3.937 0 40 GHAB biogenic,in-vitro Cc1cc(Oc2ccccc2F)nc([C@H]2CCCN2C(=O)c2cnn(C)c2C)n1 72384058 QYBRGLJTGFSFRR-QGZVFWFLSA-N 395.438 3.736 0 40 GHAB Cc1cccc(C(=O)NCC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1 40107091 UHZLAPOCIIVYLF-UHFFFAOYSA-N 379.391 3.690 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 224111174 HTOIYCJPFVSKOY-SFHVURJKSA-N 396.506 3.887 0 40 GHAB CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1)c1ccccc1 224173941 GSUZYWKWQXQQBV-UHFFFAOYSA-N 398.459 3.927 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)cc(C)c1 224593821 LIGHMZFTFVQLPW-QFIPXVFZSA-N 396.531 3.798 0 40 GHAB COc1ccc(CN2CCN(C(=O)Nc3cccc(OC(F)F)c3)CC2)cc1 40120516 JKXGYPUPRKVCGX-UHFFFAOYSA-N 391.418 3.646 0 40 GHAB O=C(NCCOCc1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 224534760 QCDHRBCQVVJBIX-UHFFFAOYSA-N 386.923 3.885 0 40 GHAB O=C(Nc1cccnc1)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12 96037985 WNBUMWNURMNPHC-UHFFFAOYSA-N 380.411 3.834 0 40 GHAB Cn1cccc1C(=O)NC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 90591617 JUAROWQARJVHSP-UHFFFAOYSA-N 395.894 3.534 0 40 GHAB CO[C@@]1(C)CCCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CC1 583671086 WSZVJDBRXGNSAB-KRWDZBQOSA-N 380.901 3.703 0 40 GHAB CC1(C)CC2(CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CO1 257274989 NNMXSWXHFWBQDB-UHFFFAOYSA-N 381.314 3.669 0 40 GHAB CC1(C(=O)N[C@@H]2COc3ccc(F)cc3C2)CCN(Cc2ccccc2)CC1 585085090 DYEDUAZYIRUMCB-FQEVSTJZSA-N 382.479 3.548 0 40 GHAB Cc1ncsc1-c1ccc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)cn1 257297159 RGDICDRSJKSPFM-JWVYWZTKSA-N 382.533 3.601 0 40 GHAB COc1ccc(C2(C(=O)N3CCC[C@H](Cc4ccccn4)C3)CCOCC2)cc1 257283343 OXWKOJZEHJJUNI-LJQANCHMSA-N 394.515 3.620 0 40 GHAB Cc1noc(C)c1-c1cnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)cn1 257259054 KWQMNJYTTOOJHC-UHFFFAOYSA-N 380.423 3.907 0 40 GHAB Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)CCCn3cccn3)C2)nc1 257263319 LPHVIROHEOMGET-IBGZPJMESA-N 393.491 3.736 0 40 GHAB O=C(CSc1nc2ccccc2s1)Nc1cnn(C[C@H]2CCCCO2)c1 390827685 JAXORHLUFHAIDP-CQSZACIVSA-N 388.518 3.793 0 40 GHAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cc4c(s2)CCC4)C3)n1 575405487 STOMHWKNUNYEFX-GOSISDBHSA-N 398.528 3.531 0 40 GHAB Cn1cc([C@@H]2CN(C(=O)c3cc(-c4cccs4)on3)Cc3ccccc32)cn1 585407516 FRWQPHFPKHLRAX-KRWDZBQOSA-N 390.468 3.925 0 40 GHAB COc1ccc([C@@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccco2)cc1 1041529 HMYLMANNHRRXRU-WOJBJXKFSA-N 377.396 3.854 0 40 GHAB C[C@@H]1CCc2c(sc3ncn(C4CCN(C(=O)c5ccco5)CC4)c(=O)c23)C1 12145475 HIMWACGOLUAVQJ-CYBMUJFWSA-N 397.500 3.653 0 40 GHAB COc1cc(C(C)=O)ccc1Oc1ccc2nnc(-c3ccccc3OC)n2n1 12409547 HUAFETLMMJNAIQ-UHFFFAOYSA-N 390.399 3.803 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(C)c1 12790057 KGEANUWJJKQHSI-MRXNPFEDSA-N 386.517 3.976 0 40 GHAB Cc1ccc(CCCNS(=O)(=O)Cc2ccc(Br)cc2)cc1 13668430 YTXFJJWNWQCGHB-UHFFFAOYSA-N 382.323 3.810 0 40 GHAB CCOc1cccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 13668478 WZFXBDUSLDJZOF-CYBMUJFWSA-N 396.896 3.532 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(C(F)(F)F)c1 15312559 BINNCYLTUZFNRV-UHFFFAOYSA-N 386.395 3.516 0 40 GHAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 16554202 VETXKDVOJATQAE-MRVPVSSYSA-N 388.276 3.984 0 40 GHAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccnc1Cl 17077286 MFIQSXFVTZMYSV-UHFFFAOYSA-N 377.787 3.788 0 40 GHAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCO2 18941122 HDFAJMZWDNGEQV-JTQLQIEISA-N 388.272 3.804 0 40 GHAB CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1cc(C2CC2)nn1C 19288837 FBSNNVZPZQNBQP-KJXAQDMKSA-N 392.547 3.780 0 40 GHAB O=C(NCCn1cc(-c2ccncc2)c(-c2ccccc2F)n1)c1ccccn1 19368271 BPYXZUTURQUAEX-UHFFFAOYSA-N 387.418 3.576 0 40 GHAB O=C(Cc1ccccc1F)N1CC[C@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19704506 YSXKXZMUUKIVNB-INIZCTEOSA-N 397.425 3.826 0 40 GHAB CC1=CC=CC2=NC(=O)C[C@@](C)(C(=O)NCC(c3ccccc3)c3ccccc3)N12 12185314 MKEKEFPNZJIBCM-VWLOTQADSA-N 399.494 3.798 0 40 GHAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@H](NC(=O)CCc2ccccc2)C1 12238959 DSYCDGFJBZVXGA-GOSISDBHSA-N 387.487 3.696 0 40 GHAB C[C@@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)CCn1ccc2ccn(C)c2c1=O 1889031979 UPGQASGYIASCGC-RNXZQOMOSA-N 395.547 3.841 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037985744 UZCVIYDZXDLYNS-JOCHJYFZSA-N 398.890 3.768 0 40 GHAB Cc1ccc(CN2CCCC[C@H]2C2CCN(S(=O)(=O)C(C)C)CC2)cc1 2056226474 SASXZQLMDOGHBG-NRFANRHFSA-N 378.582 3.800 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)Cc2ccc(Cl)cc2)cc1 1087504 KCCYXWUVVZJJSW-UHFFFAOYSA-N 380.897 3.598 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4079144 LLAYILDNBRERLJ-UHFFFAOYSA-N 381.457 3.889 0 40 GHAB Cc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)cc1 4329756 IPBNRGCITAIQGT-UHFFFAOYSA-N 380.427 3.643 0 40 GHAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)n(C)n1 9002668 CDDQJLCGMWGACE-UHFFFAOYSA-N 381.436 3.719 0 40 GHAB CN(Cc1ccncc1)[C@@H]1CCC[C@@H]2CN(C(=O)/C=C/c3cccs3)C[C@H]21 2055746554 ZRJXGUOWVBTNIY-OCILZOOCSA-N 381.545 3.915 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)Nc1ccc2c(c1)OCO2 1775978112 NEZUFTRVKSIDOI-MRXNPFEDSA-N 382.441 3.999 0 40 GHAB COc1ncccc1C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1890259743 MXRYMBUGDFBRGZ-UHFFFAOYSA-N 382.851 3.707 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COC[C@H]2C[C@H]3CC[C@H]2C3)CC1 106219807 DBSDEURTFPMJNX-HUUJSLGLSA-N 392.971 3.584 0 40 GHAB Cc1cc(C)n([C@@H](CNC(=O)Nc2ccc3c(c2)OCO3)c2ccsc2)n1 575614126 OHVLPTRRCXVLNI-INIZCTEOSA-N 384.461 3.701 0 40 GHAB O=C(Cc1ccc(Br)cc1)NCc1cccnc1-c1ccncc1 225749406 CTMOINGLDIGZHQ-UHFFFAOYSA-N 382.261 3.765 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@@H]2CS[C@@H](c3cccc4[nH]ccc34)N2)cc1 13573151 GUKJKVSZPXALBX-ICSRJNTNSA-N 380.469 3.606 0 40 GHAB CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H](c2ccccc2)C1 30030586 SKFLDVSBRUDEBW-HXUWFJFHSA-N 380.879 3.859 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1F 40005765 QXLCASWVKARHAN-ZDUSSCGKSA-N 384.432 3.823 0 40 GHAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 7649291 AZCMRURJXCFWAJ-GOSISDBHSA-N 382.460 3.637 0 40 GHAB COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCC(C)C)cc2c1 931541 CHRPCKZPIINKIP-UHFFFAOYSA-N 399.516 3.662 0 40 GHAB O=C(O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccnc1 1041559 XSBGREUPZKIBNU-UXHICEINSA-N 376.387 3.786 0 40 GHAB Cc1ccc2c(c1)c1nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc1n2C 1366117 XTWIQHBQDBHINP-ZFWWWQNUSA-N 383.521 3.612 0 40 GHAB Cc1cc2cc(CN(C(=O)C3CCC3)C3CCCC3)c3nnnn3c2cc1C 1367429 VOQHIQIXYBCPJY-UHFFFAOYSA-N 377.492 3.966 0 40 GHAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)c(C(N)=O)c1 31986122 BAKZSSREBIXXOS-AWEZNQCLSA-N 378.403 3.998 0 40 GHAB COc1ccc(OCCCC(=O)O[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 4242947 DTZUIWHTGYEYTH-MRXNPFEDSA-N 399.443 3.627 0 40 GHAB CCCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 6308680 JSHUQIMICHSAEA-UHFFFAOYSA-N 392.496 3.636 0 40 GHAB CCOc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1ccc(OC)c(OC)c1 101084917 CJTANDSZEJPAPN-YCRPNKLZSA-N 384.432 3.872 0 40 GHAB COc1cc(NC(=O)c2cc(-c3cccc(F)c3)no2)ccc1N1CCCC1=O 36833059 VBHVXNBOLXMRNG-UHFFFAOYSA-N 395.390 3.868 0 40 GHAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1 10370194 YIDGKCWCLOBXKV-CQSZACIVSA-N 380.897 3.750 0 40 GHAB O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32795984 ZXSFBPSSLHSEOD-LLVKDONJSA-N 377.213 3.580 0 40 GHAB C[C@@H](NC(=O)NCc1ccccc1CN1CCCC1=O)c1ccc(F)c(F)c1 32795632 CHRYFFMLUBMAHX-CQSZACIVSA-N 387.430 3.648 0 40 GHAB O=C(CSc1ccc(Cl)nn1)Nc1cc2c(cc1Cl)OCCCO2 21920050 DNNXCGGGOVTCRI-UHFFFAOYSA-N 386.260 3.676 0 40 GHAB Cc1cc(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 21128927 RSQGNCHAOLSCCI-GOSISDBHSA-N 396.487 3.632 0 40 GHAB COc1ccc(C)cc1[C@H](C)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 23924090 VSUFFVNWZYKIJK-HNNXBMFYSA-N 383.444 3.615 0 40 GHAB COC(=O)c1cnn(-c2cc(Oc3ccc(C(C)C)cc3)nc(SC)n2)c1N 632560 SPUXAOXIVRHRAR-UHFFFAOYSA-N 399.476 3.669 0 40 GHAB COc1ccc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cc(OC)ccc2OC)C3)cc1 100766757 KFBWUBPYBDNELH-WOJBJXKFSA-N 397.515 3.832 0 40 GHAB COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC(C)C)c3N2)c1 884283 OARYINORZVCOPX-HUUCEWRRSA-N 382.386 3.690 0 40 GHAB Cc1cccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)c1 882828 JJEVDCCIIIBOEW-UHFFFAOYSA-N 375.457 3.855 0 40 GHAB O=C(Cc1csc(-c2cc(Br)cs2)n1)NCc1ccccn1 54125700 YGQXCKWWALGVOC-UHFFFAOYSA-N 394.319 3.888 0 40 GHAB C[C@@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)NC1CCCC1 25041022 JEJUBILWTJPFGF-CYBMUJFWSA-N 375.396 3.602 0 40 GHAB COc1ccc(-c2cc(C(=O)NC[C@H]3CCCOC3)nn2-c2ccccc2)cc1 55925235 COIFGJGKOUECPY-QGZVFWFLSA-N 391.471 3.704 0 40 GHAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1N1CCCCC1 12527391 JTGPREYPAOBXFI-UHFFFAOYSA-N 399.878 3.694 0 40 GHAB C[C@H]1Sc2ccc(C(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)cc2NC1=O 57058325 ORJUPNDCZPPNLF-ZIAGYGMSSA-N 399.491 3.515 0 40 GHAB CCOc1ccc(C(=O)c2ccccc2C(=O)Nc2ccn(C)n2)cc1OCC 26406143 UELKFRJGOOWDSF-UHFFFAOYSA-N 393.443 3.701 0 40 GHAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113954721 FZGMZXFXJCOMRP-GOSISDBHSA-N 381.520 3.968 0 40 GHAB O=C(N[C@H](Cc1ccc[nH]1)C(=O)O)OCC1c2ccccc2-c2ccccc21 44320348 DGKRTFFSECGNCF-HXUWFJFHSA-N 376.412 3.549 0 40 GHAB CCN(CC)C[C@H](C)NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 58210330 WJJACTQVKKCRMG-INIZCTEOSA-N 389.519 3.520 0 40 GHAB Cn1cnc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)c1Cl 27958089 OBJDXUYCFUQEFA-UHFFFAOYSA-N 387.939 3.588 0 40 GHAB C[C@H]1Cc2ccccc2N1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8164578 SNUSUQCBGLUFNL-QFBILLFUSA-N 378.472 3.573 0 40 GHAB COC(=O)[C@](O)(c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(F)(F)F 2274926 JWLYLUUXDXGQCY-MRXNPFEDSA-N 387.741 3.515 0 40 GHAB C[C@@H](Oc1ccc(C(=O)NCc2ccnc(N(C)C)c2)cn1)c1ccccc1 48299781 GPSVONQXEKCVRQ-MRXNPFEDSA-N 376.460 3.613 0 40 GHAB CCOc1ccc(CN(C)C(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)cc1 12747334 CJIRWRFJFJCWEP-AWEZNQCLSA-N 385.435 3.952 0 40 GHAB Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(=O)[nH]1 12752172 HYPDQNJKVYRBBY-UHFFFAOYSA-N 388.880 3.735 0 40 GHAB COc1ccc(-c2nc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)sc2C)cc1 12798057 LWLFWWFHZFVAHS-OAHLLOKOSA-N 399.516 3.857 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 3367754 ZLCARINOZIQANT-GOSISDBHSA-N 393.516 3.565 0 40 GHAB Cc1cc(Br)cc(Cl)c1OCC(=O)NCCc1ccccn1 3331190 CFYJYLJPNULUFY-UHFFFAOYSA-N 383.673 3.544 0 40 GHAB CCCCCC[C@]1(C)NC(=O)N(C[C@H](O)COc2c(C)ccc(C)c2C)C1=O 12889671 GIYJLDUIVYZVTJ-AVRDEDQJSA-N 390.524 3.632 0 40 GHAB CC(=O)c1c[nH]c(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)c1 8259050 PWLPBUULAQSXHZ-UHFFFAOYSA-N 383.429 3.715 0 40 GHAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(Br)cc1F 3427255 LYXROGUWRDNLNQ-UHFFFAOYSA-N 392.180 3.712 0 40 GHAB CCOc1ccc(OCCNC(=O)c2ccc(OCc3cscn3)cc2)cc1 8402845 XMRNWOJMEDZBIR-UHFFFAOYSA-N 398.484 3.930 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(F)c(Cl)c1 13015637 WCTAMDCGENHYLW-ZDUSSCGKSA-N 387.846 3.691 0 40 GHAB c1ccc(SCc2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)cc1 8393280 PPBPXERDKQIKHT-UHFFFAOYSA-N 382.470 3.916 0 40 GHAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C)ccc1OCc1c(C)noc1C 49550377 LMROSHSKURBXFR-AWEZNQCLSA-N 382.420 3.736 0 40 GHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCCc1cccc2cccnc12 39540093 ZYDWWYRADMDSIQ-UHFFFAOYSA-N 390.418 3.715 0 40 GHAB Cc1ccn2c(=O)cc(COC(=O)c3ccc(-c4ccccc4F)o3)nc2c1 18963939 LKVYQLYLUDKWQH-UHFFFAOYSA-N 378.359 3.759 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(I)c1 6284979 IRCVWLGMDNRFDL-UHFFFAOYSA-N 376.197 3.954 0 40 GHAB CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCc3cccnc3)ccc12 5205218 VNQOWRDDBZFOGY-HNNXBMFYSA-N 380.444 3.614 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccn(-c2cccc(F)c2)n1)c1ccc2c(c1)OCCO2 65491609 GNCADUKWSJWFPK-OAQYLSRUSA-N 395.434 3.910 0 40 GHAB CCOC(=O)C(=O)c1csc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)n1 14084851 TURABKMFXCFMDC-GQCTYLIASA-N 399.255 3.848 0 40 GHAB COc1ccc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1 14241588 RSOKXJGWAQRPTG-UHFFFAOYSA-N 397.481 3.834 0 40 GHAB COc1ccc2c(CC(=O)NCc3ccc(CN4CCCC4)cc3)coc2c1 14231244 RWCVCSYRVVAMIJ-UHFFFAOYSA-N 378.472 3.896 0 40 GHAB Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3ccccn3)[C@H]2c2cccs2)cc1 6590397 CUZUTSMOGWANEO-NQIIRXRSSA-N 391.496 3.862 0 40 GHAB O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(N2CCCC2)c(Cl)c1 6671989 UPMXGXXJVIRYNJ-UHFFFAOYSA-N 387.892 3.955 0 40 GHAB O=C1CCCC[C@H]1Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 66316492 UTJBBTJQNDDYKY-DOTOQJQBSA-N 375.469 3.867 0 40 GHAB CCCn1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c1C 5680169 DXZCTUWHIVNKOO-NRFANRHFSA-N 399.516 3.543 0 40 GHAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(-c4ccccc4)cc3)ccc21 14824583 PWSYCQCVCNFIQN-UHFFFAOYSA-N 385.423 3.629 0 40 GHAB O=C(C[C@@H]1OCCc2sccc21)Nc1ccc(-c2nnc3n2CCCC3)cc1 66803668 UUJQIXPXERZTSY-KRWDZBQOSA-N 394.500 3.986 0 40 GHAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1nc(-c2cccnc2)cs1 6969378 FUAGUXDHGASYGS-UHFFFAOYSA-N 386.864 3.617 0 40 GHAB CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Br)cc1 80343841 CZCAOKNFXCLTDS-LBPRGKRZSA-N 387.299 3.698 0 40 GHAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(CSc2nnc[nH]2)cc1 8733913 YAIAPJOTRQQNOH-UHFFFAOYSA-N 397.485 3.744 0 40 GHAB CCOC(=O)Cn1c([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 7543871 ZGDCNMAJOMEIES-QGZVFWFLSA-N 391.471 3.737 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1 9094831 YHUKMLOGEJGNJK-CYBMUJFWSA-N 388.876 3.799 0 40 GHAB C[C@@H](Cc1ccsc1)N(C)C(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 176141386 YZXALZFCIYOTCW-HNNXBMFYSA-N 395.484 3.964 0 40 GHAB CCc1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(C)cc3)cc2c1=O 9321095 POVGGGMAYNGMEO-UHFFFAOYSA-N 386.455 3.673 0 40 GHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H](C)c1ccc(Cl)cc1 71997731 UEZFKBABEWOIAW-GFCCVEGCSA-N 375.856 3.933 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Br)c2C)nc1 27936285 HWOFAXDLLNOGSA-VIFPVBQESA-N 391.191 3.876 0 40 GHAB Cc1ccc2c(COC(=O)[C@@H]3CCCCN3Cc3cccnc3)cc(=O)oc2c1 97164521 RZCQTVMAYWMDJA-FQEVSTJZSA-N 392.455 3.594 0 40 GHAB C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 95451381 XUZSTIPJFWTSRA-CQSZACIVSA-N 394.441 3.693 0 40 GHAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NN1CCc2ccccc2C1=O 95457361 OZAZAOQNUUGBPX-UHFFFAOYSA-N 395.459 3.525 0 40 GHAB Cc1nn2c(-c3ccccc3)c(S(C)(=O)=O)nnc2c1-c1cccc(Cl)c1 1548338257 SZTSTSHTZLVFJB-UHFFFAOYSA-N 398.875 3.824 0 40 GHAB COc1ccc(C(=O)C[C@H](C)C(=O)NC(C)(C)c2cc(C(F)(F)F)on2)cc1 554087797 ZPLNBFYEZJRCLS-NSHDSACASA-N 398.381 3.962 0 40 GHAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)NC1CCCC1 35291482 DKUUQZVIFNYBTO-UHFFFAOYSA-N 388.518 3.799 0 40 GHAB Cn1nc(NC(=O)c2ccccc2Cl)c2c1NC(=O)C[C@@H]2c1cccs1 36705646 FIHFSXDNCAYOQQ-LLVKDONJSA-N 386.864 3.861 0 40 GHAB Cc1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3C)C2)s1 30616606 OLVZQCWUGFVHAT-LLVKDONJSA-N 394.294 3.514 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nccs1)OCc1ccccc1 30813807 MKCQRJHMQXXLRD-QGZVFWFLSA-N 381.457 3.619 0 40 GHAB Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cc(-c4ccoc4)[nH]n3)cc2)n1 530883554 ZSZOTKAWKZYKNC-OAHLLOKOSA-N 375.432 3.963 0 40 GHAB CCc1nc(C)c(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)o1 555741217 GCBHQYAUKHWLDD-HNNXBMFYSA-N 379.863 3.905 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H](c3nccnc3Oc3cccc(F)c3)C2)cn1 72362498 OQYLEQPRMTVTOG-OAHLLOKOSA-N 393.422 3.526 0 40 GHAB CC(=O)N1CC[C@H](c2c(C(=O)N(C)CC(F)(F)F)sc3ccccc23)C1 72352598 LDYMBMMVTDUKLQ-LBPRGKRZSA-N 384.423 3.871 0 40 GHAB Cc1ccc(CN2CCC(C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 39757657 UHKAJOMQFOZNDA-OYRHEFFESA-N 385.596 3.691 0 40 GHAB COc1ccccc1N1CCN(C(=O)C2CCN(c3ccc(C)cc3)CC2)CC1 219850887 MVHUDNSJYZDMLR-UHFFFAOYSA-N 393.531 3.569 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3ccccc3C(=O)O)n2)cc1 71287117 NWMRYADRURNEOY-UHFFFAOYSA-N 395.440 3.648 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38834595 PXCAXGRELGJKCN-KRWDZBQOSA-N 384.451 3.853 0 40 GHAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1F 675008290 OQAZWSDLXQNAMM-ZDUSSCGKSA-N 383.491 3.628 0 40 GHAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 225622326 NMIKWOKGSBLBFQ-NRFANRHFSA-N 376.497 3.612 0 40 GHAB Cc1ccnc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1 40086548 ZDUYWZSBNSYSRH-OAHLLOKOSA-N 378.259 3.940 0 40 GHAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 224613553 UUWACNIEYRMEPH-UHFFFAOYSA-N 385.441 3.826 0 40 GHAB CC[C@@H](NC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccccc1 44886314 TVDKBQRTYIWLSQ-WOJBJXKFSA-N 388.533 3.807 0 40 GHAB CCN(c1ccc(I)cc1)S(=O)(=O)c1cccs1 225126863 AMPIXSZZXKAHKH-UHFFFAOYSA-N 393.271 3.568 0 40 GHAB Cc1cccc(N2CCN(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)c1 40104168 YSATXWBQNGVCSN-UHFFFAOYSA-N 375.375 3.671 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 223537058 FHUCPCBBNIBICC-GOSISDBHSA-N 384.545 3.863 0 40 GHAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3cccc4[nH]ccc34)cc2O1 96115096 YKENSWKTNTZBAM-UHFFFAOYSA-N 380.400 3.635 0 40 GHAB biogenic Cc1ccc(OC2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)nn1 96119412 GCEYTMDIBCOTOM-UHFFFAOYSA-N 396.274 3.541 0 40 GHAB COc1ccc(-c2[nH]nc(C)c2CC(=O)NCCn2ccc3ccccc32)cc1 95477500 OLVTXYYUJAAMMN-UHFFFAOYSA-N 388.471 3.707 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1C 248135128 OHZFRJWRSIPFQH-UHFFFAOYSA-N 387.911 3.726 0 40 GHAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2ocnc2C)o1 257257930 KRRMMBGTMPBMAI-KRWDZBQOSA-N 381.432 3.938 0 40 GHAB CCn1cc(CN2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 257267788 MISWIBBCZGDDSL-QFIPXVFZSA-N 380.467 3.601 0 40 GHAB CN1CCN(C(=O)C2(Cc3ccccc3)CCOCC2)C[C@H]1c1ccccc1 257268363 MLJSSASSDXWZEE-QFIPXVFZSA-N 378.516 3.541 0 40 GHAB Cc1noc(C)c1-c1cccc(C2CCN(C(=O)Cn3cc(Cl)cn3)CC2)n1 257313715 UTUCITBUTQYLEC-UHFFFAOYSA-N 399.882 3.610 0 40 GHAB CN1CCCCC[C@@H]2N(C(=O)c3ccnn3C)[C@H](Cc3ccccc3)C[C@@]21C 257326939 WZEHXIFIDMHNLF-NWSQWKLXSA-N 380.536 3.510 0 40 GHAB O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cc(F)c(N2CCOCC2)cc1F 614805372 IPHGZKDUMKSKKM-WMZOPIPTSA-N 386.389 3.956 0 40 GHAB O=C1CCCN1C[C@@H](N[C@H]1CCCn2ccnc21)c1cccc(C(F)(F)F)c1 655690690 IRBVMYPWNFSYFT-DLBZAZTESA-N 392.425 3.690 0 40 GHAB C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1nccn1C 665239047 KWSBKQINTPXWPJ-LBPRGKRZSA-N 381.402 3.922 0 40 GHAB O=C(NCCc1ccc(Oc2ccc(F)cc2)cc1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 660944140 NOYZQKSZUYBMOU-SVMVAKDDSA-N 398.478 3.963 0 40 GHAB C[C@H](C(=O)N(C)CCN(C)c1nccc(Oc2ccccc2)n1)c1ccccc1 1615610264 AKCQJOHIQRGKNY-SFHVURJKSA-N 390.487 3.967 0 40 GHAB O=C1C[C@@H]2CCN(C3COC3)C[C@@H]2CCOc2ccc(-c3ccccc3)cc2N1 1534646648 NWAFMIKHUBNJLZ-PMACEKPBSA-N 392.499 3.802 0 40 GHAB COc1ccc(N/C=C2\C(=O)c3cc(C)ccc3O[C@@H]2SCC(=O)O)cc1 5659511 CMCKPKJIRIQXHF-NXZBIGBUSA-N 385.441 3.719 0 40 GHAB CSc1ncc(Cl)c(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)n1 11574318 QKNDKTQWJAZKHT-VIFPVBQESA-N 375.837 3.761 0 40 GHAB CC[C@@H](C)C(=O)N1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12123535 UDUGLIVFKZDUGV-CZUORRHYSA-N 381.480 3.753 0 40 GHAB Cc1nccc(-c2sc(C3CCN(C(=O)c4ccncc4)CC3)nc2C)n1 12186150 VQIQFCXAZXFBRF-UHFFFAOYSA-N 379.489 3.632 0 40 GHAB O=C(CCc1ccccc1)N[C@H]1CCCC[C@H]1NC(=O)CCc1ccccc1 12376266 YKCNXRROQYJCMF-SZPZYZBQSA-N 378.516 3.796 0 40 GHAB O=C(CCNC(=O)c1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 12999854 BWYGUVKLQFCEDT-UHFFFAOYSA-N 384.785 3.795 0 40 GHAB COc1ccc(NC(=O)c2nnc3c(-c4ccc(F)cc4)c(C)nn3c2C)cc1 13635643 HZGSCIYVFOQXFO-UHFFFAOYSA-N 391.406 3.808 0 40 GHAB COc1c(C)cccc1CN1CCCC[C@@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 19235980 QLEYLKZPFOBJHV-HXUWFJFHSA-N 390.487 3.876 0 40 GHAB CC[C@H](NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1ccc(OC)cc1 19500494 DVVKKZJHMRBLRP-HNNXBMFYSA-N 381.398 3.667 0 40 GHAB CCn1cnc2sc(C(=O)Nc3ccc4c(c3)nc(C)n4CC)c(C)c2c1=O 19717351 CGPRARVXYBMFNQ-UHFFFAOYSA-N 395.488 3.717 0 40 GHAB Cc1ccc(CNc2nc(O)cc(C3CCN(Cc4cccnc4)CC3)n2)cc1 19717504 NGJWMCWCBGRMMF-UHFFFAOYSA-N 389.503 3.877 0 40 GHAB Cc1ccc(OCCN2CCCC2)c(NC(=O)c2cn3cccc(C)c3n2)c1 19718793 CNSGXAHUWMHYAI-UHFFFAOYSA-N 378.476 3.678 0 40 GHAB COc1ccc(CN2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)cc1OC 12337785 QGFIQBRIKPSSLT-GOSISDBHSA-N 396.491 3.796 0 40 GHAB COc1c(C)cccc1C(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 19235806 BUECNCCITMWHFC-UHFFFAOYSA-N 394.515 3.939 0 40 GHAB CCC[C@@H](C)NC(=O)COC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 2648212 KJQHUZOFQZNXAK-CQSZACIVSA-N 399.516 3.916 0 40 GHAB Cc1ccc(-c2nc(C)c(C(=O)NC[C@H](O)c3ccc(F)c(F)c3)s2)o1 31414227 ACMOUCKEFBKBDR-AWEZNQCLSA-N 378.400 3.762 0 40 GHAB COc1ccc(CN2CC3(CCC2=O)CCN(C(=O)c2ccsc2)CC3)cc1 1565542237 FAXQSZGKUDVKID-UHFFFAOYSA-N 398.528 3.802 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)Nn1c(=S)[nH]c2ccccc2c1=O 2970294 UFNJPVAAHBYDIV-UHFFFAOYSA-N 396.255 3.515 0 40 GHAB Cc1ccc(-c2nnc3ccc(SCC(=O)NC4CCCCC4)nn23)cc1 9415110 FOQORYGVPCINCY-UHFFFAOYSA-N 381.505 3.641 0 40 GHAB CCCCOc1ccc(C(=O)Nc2cccc(-c3ccc(=O)n(C)n3)c2)cc1 10325027 RPIQDTYWQOPPQC-UHFFFAOYSA-N 377.444 3.879 0 40 GHAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nc2c(Cl)cccc2s1 10620376 OBMCWOIAMASZCO-UHFFFAOYSA-N 394.905 3.893 0 40 GHAB O=C(c1ccc2ccccc2n1)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775965841 LXWKMGNDDOTESA-UHFFFAOYSA-N 388.471 3.833 0 40 GHAB O=C(Cc1csc(NC(=O)C2CCCC2)n1)Nc1ccc(-n2cccn2)cc1 38575660 FJVUVUQSPHJMCB-UHFFFAOYSA-N 395.488 3.639 0 40 GHAB Oc1cccc(CN2C[C@H]3C[C@H](O)[C@@H](n4ccnc4-c4ccccc4)C[C@H]3C2)c1 2332242737 MNUKVCZUBYTCTE-MQFRRQCYSA-N 389.499 3.700 0 40 GHAB C[C@H]1CN(c2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cn2)C[C@@H](C)O1 30016181 CSICJJPFXPLSER-BETUJISGSA-N 377.391 3.549 0 40 GHAB COc1cccc(OCCNS(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 30836548 UUPLKYPFKWVUQQ-UHFFFAOYSA-N 397.452 3.952 0 40 GHAB CSc1nc2ccc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2s1 40043000 QTXWHLIQXGSMBT-UHFFFAOYSA-N 399.497 3.920 0 40 GHAB COc1ncccc1C(=O)NCCSCc1ccc(Br)s1 30201554 GIQCRBIVGQFQIN-UHFFFAOYSA-N 387.324 3.577 0 40 GHAB COc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1 20113060 YREXUNGAHIBDTJ-KRWDZBQOSA-N 396.487 3.973 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)NCCc2nc(-c3ccccc3)no2)ccc1Cl 32593726 FTABPAXQLICOGU-AWEZNQCLSA-N 385.851 3.825 0 40 GHAB COc1ccc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(C)c(C)c2)c1 2501334 MYPOBIXKFOXSBE-IBGZPJMESA-N 393.530 3.757 0 40 GHAB COc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2)cc1 793422 KBNSRAWHXSHDPW-HSZRJFAPSA-N 392.499 3.940 0 40 GHAB COc1ccc(Nc2ncnc3c2nnn3Cc2ccccc2Cl)c(OC)c1 1035497 QLEOWXBMOMMBNW-UHFFFAOYSA-N 396.838 3.684 0 40 GHAB Cc1cc(C)cc(-n2c(SCC(=O)NCC(C)C)nnc2-c2cccnc2)c1 1362382 VCQULWKAZQHUOS-UHFFFAOYSA-N 395.532 3.810 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1cc(C)cc(C)c1 1362773 HNRWWWBISOASAI-MRXNPFEDSA-N 395.532 3.953 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CC3)cc2c1 1364833 DPULWOCWWHKLHD-UHFFFAOYSA-N 383.492 3.934 0 40 GHAB Cc1nc2sc3c(c2c2nnc(SCC(=O)NC(C)(C)C)n12)CCCC3 1372310 IHGGUNABEMRHCG-UHFFFAOYSA-N 389.550 3.533 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 2654978 OPEAKAXBEJBSHG-INIZCTEOSA-N 399.878 3.789 0 40 GHAB COc1ccc(C(C)=O)c(OCC(=O)Nc2ccc(Br)cc2)c1 3388973 FKIYLWZYFFFATC-UHFFFAOYSA-N 378.222 3.678 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4836955 IVCLPPATURSDDN-FTUNRGFVSA-N 392.842 3.904 0 40 GHAB COc1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1Br 6275154 JAHJIPNPLKNYCH-UHFFFAOYSA-N 383.242 3.724 0 40 GHAB CCn1c(=O)c(C)nc2cc(C(=O)OCc3nc4ccccc4s3)ccc21 6535372 DCVMPVRRZBUWPE-UHFFFAOYSA-N 379.441 3.692 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)c(C)c1 102731269 FVAZHGFOSSHRCS-BHIFYINESA-N 399.450 3.750 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2cc3cc(Cl)ccc3nc2C)CC1 10331323 PLBPWJRKOMGXAJ-UHFFFAOYSA-N 375.856 3.547 0 40 GHAB Cc1noc(C)c1COc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1 8074804 SLNZTAQDGMCPFQ-UHFFFAOYSA-N 385.508 3.865 0 40 GHAB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1ccc2c(c1)OCO2)N1CCCCC1 103702612 PUJSOUOYRDPRTO-FGZHOGPDSA-N 391.471 3.981 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1nc2ccccc2s1 22878386 SMLOHVDTUFVYRW-AWEZNQCLSA-N 392.488 3.780 0 40 GHAB O=C(OCc1cccc(F)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 9055403 CVYVYNBTUVKWAY-UHFFFAOYSA-N 375.355 3.983 0 40 GHAB CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 1249445 JFJJDQHDOZYOSW-GOSISDBHSA-N 383.448 3.989 0 40 GHAB Cc1ccc(Cl)cc1N1CCN([C@@H](c2nnnn2C(C)(C)C)C(C)C)CC1 57669703 WOQNZXZCMDLGIZ-GOSISDBHSA-N 390.963 3.909 0 40 GHAB Cc1ccc(SCC(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1 25294707 USZUTMPYOMGKRX-OAHLLOKOSA-N 395.488 3.517 0 40 GHAB O=C(NCc1ccc(Br)s1)c1ccc(Cn2cccn2)cc1 25474879 XGXWLOCJYQOJMI-UHFFFAOYSA-N 376.279 3.685 0 40 GHAB O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)occ1OCc1ccccc1 56949851 ZOZNVKVQKQBGEZ-UHFFFAOYSA-N 394.446 3.680 0 40 GHAB CCCOC(=O)Cn1cnc2scc(-c3ccc(OCCC)cc3)c2c1=O 1911953 JLBCIHYYTVDUMR-UHFFFAOYSA-N 386.473 3.867 0 40 GHAB Cc1cccc(-n2c(C)nnc2SCc2cc(=O)n3cc(Cl)ccc3n2)c1 57955939 DTVLTFMIGGXXHL-UHFFFAOYSA-N 397.891 3.838 0 40 GHAB Cc1ccc2c(CC(=O)N(C)C3CCN(C)CC3)c(Br)oc2c1 27587495 RMSANHCLRGHMKE-UHFFFAOYSA-N 379.298 3.599 0 40 GHAB COC(=O)CN(c1ccccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 113874132 AMMWEJJVOIWTBT-UHFFFAOYSA-N 388.272 3.670 0 40 GHAB CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1OC(F)(F)F 22966530 YQTFUGNGGKEDMC-UHFFFAOYSA-N 396.413 3.967 0 40 GHAB Cc1cccc(CNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 113955267 XYHSJHKHPCSALO-UHFFFAOYSA-N 394.924 3.511 0 40 GHAB Brc1ccc(OCc2nnc3sc(-c4ccco4)nn23)cc1 10312142 GLRLRGSQJACMMS-UHFFFAOYSA-N 377.223 3.787 0 40 GHAB CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C 2147078 FTKXCQRVAYWDQV-HNNXBMFYSA-N 389.448 3.927 0 40 GHAB biogenic Cc1cc(C(=O)NCCOc2c(C)cccc2C)c2nc3n(c2n1)CCCCC3 58369764 LXHPZMJCISOUEU-UHFFFAOYSA-N 392.503 3.892 0 40 GHAB O=C(NCc1cccnc1OC1CCCC1)Nc1ccn(Cc2ccccc2)n1 48276317 DZLCWIWAYKYBDD-UHFFFAOYSA-N 391.475 3.970 0 40 GHAB Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCC4(CC3)OCCO4)sc21 2418652 LDYGDSYXXLVOCQ-UHFFFAOYSA-N 397.500 3.683 0 40 GHAB CC(=O)NCCc1ccc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)cc1 12769598 LEEDZUOQGBZMKV-UHFFFAOYSA-N 393.512 3.978 0 40 GHAB COc1cc(C)c(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1OC 12821247 CDIDPGDHQOCGGC-UHFFFAOYSA-N 377.444 3.939 0 40 GHAB COC(=O)c1c(C(=O)CSc2ccccc2C(=O)O)c(C)n(C2CC2)c1C 12937397 YZWWBDMXIHCOSQ-UHFFFAOYSA-N 387.457 3.900 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)C1CCN(c2nc3ccccc3o2)CC1 12921671 OFUYVJMFKHJNSB-KRWDZBQOSA-N 377.444 3.684 0 40 GHAB Cc1cc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)n(-c2ccc(F)cc2)n1 12918740 BBDZLDNPFAZBFD-ZDUSSCGKSA-N 384.377 3.533 0 40 GHAB CC(C)c1ccc(-c2nc(C(=O)NCc3nnc4ccccn34)cs2)cc1 13015388 QSJZUYJAQKVUPN-UHFFFAOYSA-N 377.473 3.906 0 40 GHAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccccn2)cc1 5027026 XBJRLQVACSHZRE-NRFANRHFSA-N 396.406 3.920 0 40 GHAB CCN(C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(F)cc1 5316804 LRMYCNIHIRJZGC-UHFFFAOYSA-N 393.344 3.551 0 40 GHAB CC(=O)c1csc(NC(=O)CCCOc2ccc(Br)cc2)n1 14182530 SJSQZTXUIZCQRA-UHFFFAOYSA-N 383.267 3.906 0 40 GHAB CCCCn1c(S[C@H](C)C(=O)N[C@@H](CCC)c2ccccc2)n[nH]c1=O 14247905 YKCTXZLJUXCLQN-ZBFHGGJFSA-N 376.526 3.510 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)NC(C)C)c(Cl)cc1Cl 14231712 QHQSYRBUBFNGFX-JTQLQIEISA-N 381.325 3.599 0 40 GHAB COc1cc(/C=C/C(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)ccc1O 5462996 MWBFHIGEJITWJK-SDNYCIMKSA-N 395.455 3.711 0 40 GHAB CCn1nc(C(=O)Nc2nc(-c3ccccc3)cs2)c2ccccc2c1=O 6508141 OFUUZQYJZHEGDT-UHFFFAOYSA-N 376.441 3.792 0 40 GHAB CCCCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OC 6557879 BTQQCYGAYWDVQK-SFHVURJKSA-N 392.521 3.620 0 40 GHAB Cn1nnnc1-c1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 14517238 WUTGCDYVWOZYEX-UHFFFAOYSA-N 383.411 3.753 0 40 GHAB CCOC(=O)c1cc(-c2cccc(C)c2)nc2nc(N3CCOCC3)sc12 6936943 NSGGJHVNQWTSSP-UHFFFAOYSA-N 383.473 3.680 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)no1 4937590 ISMMKJHYFUJNTK-SECBINFHSA-N 390.490 3.950 0 40 GHAB CC(C)n1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O 4948518 WYJOTZBWUHJXHS-UHFFFAOYSA-N 393.512 3.654 0 40 GHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 20107622 LZVWSPSUDGSQAC-SFHVURJKSA-N 399.878 3.934 0 40 GHAB CCCOc1c(Cl)cc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc1OC 7127802 PTDSTMFDGDQXPB-KRWDZBQOSA-N 385.855 3.583 0 40 GHAB CCOc1ccc(OC(=O)CCNC(=O)c2ccc(Br)cc2)cc1 15577050 MKZBLIWEDJNFRW-UHFFFAOYSA-N 392.249 3.573 0 40 GHAB C[C@H](C(=O)N(C)Cc1ccccc1)N(C)CC(=O)Nc1cccc2ccccc12 7267728 AVRRNJAPKPGABM-GOSISDBHSA-N 389.499 3.757 0 40 GHAB COC[C@H](C)n1c(C)cc(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)c1C 7383683 IKIPQWRVQUCKKE-LBPRGKRZSA-N 387.505 3.583 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3cccc4cccnc34)CC2)c(F)c1 16111458 KHOAGPMLHPWDKT-UHFFFAOYSA-N 377.419 3.539 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@H]1COc2ccc(Cl)cc2C1 7831382 OWTMQWFYXIBBAM-QGZVFWFLSA-N 381.863 3.735 0 40 GHAB CC(C)[C@H](CCNC(=O)Cn1cnc2ccccc2c1=O)c1ccc(Cl)cc1 9418658 ZYHDUVWRQAPOBZ-SFHVURJKSA-N 397.906 3.996 0 40 GHAB Cc1csc2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)cc(=O)n12 8271366 XFQRZVQTYBNJCW-KRWDZBQOSA-N 397.500 3.563 0 40 GHAB O[C@@]1(c2ccc3c(c2)OCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 27525127 XNRYJGGCRCGSGW-OAQYLSRUSA-N 385.871 3.719 0 40 GHAB O=C(NCc1noc(-c2ccc(C(F)(F)F)cn2)n1)c1cccc(Cl)c1 91694973 VLDYQAIZHPVSNB-UHFFFAOYSA-N 382.729 3.734 0 40 GHAB CCc1ccc(-c2n[nH]c(SCC(=O)c3ccc(NC(C)=O)cc3)n2)cc1 8484029 YOJMZVIPAKSVAT-UHFFFAOYSA-N 380.473 3.968 0 40 GHAB COc1ccc(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1F 71768133 KZPPMHODCHLPPN-UHFFFAOYSA-N 377.416 3.999 0 40 GHAB COc1cccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 408709855 YGARXKYNGSNHHQ-UHFFFAOYSA-N 386.757 3.622 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(Br)cc1 8520627 ZDBRRLUPWXZBNB-UHFFFAOYSA-N 375.222 3.776 0 40 GHAB COc1cc(COc2ccc(/C=C/C(=O)NCCCC(=O)O)cc2)ccc1C 62715724 YCVVMOWQAGPCLW-FMIVXFBMSA-N 383.444 3.577 0 40 GHAB C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)NC1CCOCC1 95365125 VRAZPNKCTSIDTR-MRXNPFEDSA-N 378.476 3.907 0 40 GHAB CCc1c(C(=O)Nc2nc(-c3cnn(C)c3)cs2)cnn1Cc1ccccc1 95961219 PIRADYMKAHSJQP-UHFFFAOYSA-N 392.488 3.603 0 40 GHAB C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 69370097 CCUIFVHWBYNNBZ-GOEBONIOSA-N 390.405 3.978 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCCC3)o2)C1=O 409014278 IGAIQTYUGJPYSA-MLJWKTOOSA-N 392.477 3.648 0 40 GHAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 22134383 SORRZHQYFJRKPK-UHFFFAOYSA-N 379.489 3.984 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31488484 WJEDGMGEACVZDL-OAHLLOKOSA-N 392.908 3.688 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1 32739794 WORXOROKQDIEFD-TUPWZPNASA-N 385.416 3.859 0 40 GHAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1cnc(Cl)cc1Cl 1561738817 VTTQWIQBKQJXLS-OAHLLOKOSA-N 397.283 3.554 0 40 GHAB CC(C)(CNC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccc(F)cc1 1528423216 SQVNNDLXDRHDDI-GOSISDBHSA-N 398.478 3.878 0 40 GHAB Cc1cc(CN2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)ccn1 527538265 FVATVOQNJJXVIF-UHFFFAOYSA-N 378.398 3.759 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1ccc(OC)cc1)CCCC3 35079586 ZNRGREFWBCWZAU-IBGZPJMESA-N 393.487 3.946 0 40 GHAB O=C(O)c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1NC1CCCC1 217585532 VKUDRCJWLWVDOG-UHFFFAOYSA-N 392.521 3.908 0 40 GHAB COC(=O)c1c(C)nc(C(C)(C)C)nc1SCC(=O)N[C@H]1CCCC[C@H]1C 32810100 ZAZDSAGOYFKDIG-OCCSQVGLSA-N 393.553 3.656 0 40 GHAB COc1cccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 219306723 OGXUOJDEILRRJL-KUHUBIRLSA-N 385.460 3.890 0 40 GHAB O=C(COc1coc(CN2CCCCCC2)cc1=O)Nc1cccc(Cl)c1 72404463 IWHLGJPRWLRZSV-UHFFFAOYSA-N 390.867 3.687 0 40 GHAB O=C(Nc1nc2ccccc2[nH]1)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 49371899 ZEQTWCKYPHYLQZ-QGZVFWFLSA-N 398.470 3.875 0 40 GHAB O=C(CCCCCn1sc2ccccc2c1=O)Nc1ccc2c(c1)OCO2 40284614 MASOQWXNGWQAQY-UHFFFAOYSA-N 384.457 3.991 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 223960562 ZXNXOCSACVOOLK-RTBURBONSA-N 377.473 3.545 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1ccccc1 224076790 ZLHRDTVHTJAGGS-IBGZPJMESA-N 394.515 3.584 0 40 GHAB CCOc1cccc(NC(=S)NCc2ccccc2CN2CCCC2=O)c1 225652414 XZBGHHOWLZUHND-UHFFFAOYSA-N 383.517 3.694 0 40 GHAB CC[C@H](C(=O)Nc1cccc(SC)c1)N(c1cccc(C)c1)S(C)(=O)=O 220505519 QTDIWEJVOJYUPP-GOSISDBHSA-N 392.546 3.900 0 40 GHAB CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224636640 HVZIPFSVSFIMFN-UHFFFAOYSA-N 384.295 3.981 0 40 GHAB O=C(O)[C@@H](Cc1ccc(I)cc1)OCc1ccccc1 225069990 OGSXZOGJIIZEGW-OAHLLOKOSA-N 382.197 3.504 0 40 GHAB c1cc2c(cc1SCCc1nc(-c3ccc4c(c3)OCO4)no1)OCCO2 573885701 YJAPPRDKVWZKRK-UHFFFAOYSA-N 384.413 3.571 0 40 GHAB c1ccc(CN2CCC(N3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)CC2)cc1 96245632 HAGHCXQFZKADLR-DNQXCXABSA-N 375.560 3.715 0 40 GHAB Cn1ccnc1CN1Cc2ccccc2C2(CCN(CC3CCCC3)CC2)C1 96242448 VJVNORHSDJYATF-UHFFFAOYSA-N 378.564 3.960 0 40 GHAB CCC[C@H]1CN(C(=O)c2cnc3onc(CC)c3c2)CCN1Cc1ccccc1 538333579 BQMVEWPJZGCYMZ-IBGZPJMESA-N 392.503 3.912 0 40 GHAB CCc1n[nH]c(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)c1C 257215533 CQPOKMOTTFJLAL-KRWDZBQOSA-N 378.476 3.879 0 40 GHAB Cn1cnnc1C1CCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CC1 257325599 WTRBOTODBAZGNZ-UHFFFAOYSA-N 376.460 3.560 0 40 GHAB O=C(c1cnc2ccccc2c1)N1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257303741 SIMSKBXDJYHOAO-INIZCTEOSA-N 398.470 3.510 0 40 GHAB Cc1ccncc1CC(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 612684106 XNEXTWUFKQRGNY-NRFANRHFSA-N 389.503 3.523 0 40 GHAB Cc1cc(Br)cc2c1CN(c1ccc3nnc(C4CC4)n3n1)CC2 678720748 OUOXGFGHJHIDAR-UHFFFAOYSA-N 384.281 3.635 0 40 GHAB CCOc1ccc(C2(CNC(=O)c3cnc(C)nc3C3CC3)CCOCC2)cc1 512849848 BKBKQXBAGQYGNU-UHFFFAOYSA-N 395.503 3.539 0 40 GHAB COC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccccc3)o2)C1=O 1157285 VQPWJIPGDFFPPH-LCYFTJDESA-N 375.427 3.640 0 40 GHAB CCn1c(S[C@H](C(=O)N2CCCC2)c2ccccc2)nnc1-c1ccncc1 5505242 AVAGYIHXDIEDIS-SFHVURJKSA-N 393.516 3.816 0 40 GHAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccccc1F 5969180 PNIKYLNDBVZXNZ-UHFFFAOYSA-N 392.386 3.874 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)CC4CCCC4)C3)cc2n1 13225619 QMXKNHNJPROXRO-AWEZNQCLSA-N 380.414 3.953 0 40 GHAB COc1ccc(CCNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1OC 13709051 QCQIDJXNMNXBAH-MRXNPFEDSA-N 379.456 3.983 0 40 GHAB COc1ccccc1CNC(=O)c1sc(=S)n(-c2ccccc2F)c1N 16973262 VVGWPJYZNIMXTJ-UHFFFAOYSA-N 389.477 3.928 0 40 GHAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN([C@@H](C)Cc2ccc(F)cc2)C1 19456783 BNBNWBMDHVTXPC-HJPURHCSSA-N 382.479 3.586 0 40 GHAB Cc1ccc2c(c1)cc(C(=O)NCc1ccc(CN3CCCC3=O)cc1)n2C 19661313 NFXKQPZTSFFBJG-UHFFFAOYSA-N 375.472 3.539 0 40 GHAB Cc1c(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccccc2)cnn1C 19689379 JGOIWRUGZFACPZ-FQEVSTJZSA-N 376.508 3.589 0 40 GHAB Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2c(C(N)=O)sc3ncccc23)C1 19702583 GHKJUBMWABNGJX-HNNXBMFYSA-N 397.548 3.779 0 40 GHAB O=C1N/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)N1Cc1ccccc1Cl 208531199 QTWAJQOZSOFEJP-UNOMPAQXSA-N 393.830 3.929 0 40 GHAB CCCCc1nc(CN2Cc3ccccc3O[C@H](CN(C)C)C2)c(Cl)[nH]1 19502335 BQWSMCQXBVZREB-MRXNPFEDSA-N 376.932 3.731 0 40 GHAB Cc1ccccc1/C=C/c1nc(SCC(=O)NCc2ccc(F)cc2)n[nH]1 12844914 UEZVMJFXSQKKIS-DHZHZOJOSA-N 382.464 3.831 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(OCc2ccncc2)cc1 32083699 HRYPHAQNNXCKKN-UHFFFAOYSA-N 390.439 3.704 0 40 GHAB CC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c2ccccn12 10272913 NATZXUIELNQKSF-UHFFFAOYSA-N 384.819 3.899 0 40 GHAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCc1ccccc1Cl 12165931 LGLVYYAYVKFEFA-UHFFFAOYSA-N 382.847 3.548 0 40 GHAB Cc1cccc(CC(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)c1 21151751 GHZCKBXSOCAMMW-DEOSSOPVSA-N 387.527 3.792 0 40 GHAB COc1cc(OC)cc(-c2nn3c(-c4ccc(OC)c(OC)c4)nnc3s2)c1 35325723 CKCJWBUDCMAANZ-UHFFFAOYSA-N 398.444 3.554 0 40 GHAB C[C@@H]1CN(c2ccc(NC(=O)c3cnc4ccccc4n3)cc2F)C[C@@H](C)O1 40145500 JMKPIJPFYLMWNQ-ZIAGYGMSSA-N 380.423 3.635 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CC[C@H]1C(=O)Nc2ccccc21)CC3 100790782 JYFQGMQCKDEWMI-MRXNPFEDSA-N 389.455 3.577 0 40 GHAB biogenic CCCn1nc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)ccc1=O 31969011 FGCYLNYKSVNABR-HXUWFJFHSA-N 381.863 3.826 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1 29489205 QQZZLYRTFFZSCA-XISXUPMFSA-N 378.472 3.821 0 40 GHAB Cc1cc(C)nc(SCc2nnc(SCC(=O)OC3CCCCC3)o2)n1 925080 MOBVEOYFWXRYPX-UHFFFAOYSA-N 394.522 3.737 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cc1 6237659 XBEKGEMMSPXBAX-CALCHBBNSA-N 386.517 3.914 0 40 GHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 6440629 BZKSLFORRVBURZ-LJQANCHMSA-N 390.505 3.513 0 40 GHAB COc1ccc(OCCCC(=O)OCC(=O)Nc2ccc(C)cc2Cl)cc1 2652453 ICXCNABWKWXVBM-UHFFFAOYSA-N 391.851 3.998 0 40 GHAB CC(C)N(C(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)C1CCCCC1 7475469 LVYICMPZTUFADD-UHFFFAOYSA-N 387.549 3.907 0 40 GHAB O=C(COc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(Cl)cc1F 2630227 OWDFYKRGPXOABZ-UHFFFAOYSA-N 397.797 3.626 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)cc1 7802153 WIKOMWRERGKPCL-XNTDXEJSSA-N 398.528 3.858 0 40 GHAB Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)ccc1Br 10315239 IEILLQOAJKYGTC-UHFFFAOYSA-N 397.294 3.690 0 40 GHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCN(Cc2ccncc2)CC1 46961442 DDEXHYXVNGVUJC-IBGZPJMESA-N 382.508 3.524 0 40 GHAB COc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(F)cc3)n2C)cc1OC 109227910 BZUSGDZHSOUGGA-XDOYNYLZSA-N 386.448 3.959 0 40 GHAB COc1ccc(-c2noc(COC(=O)CCn3ccc4ccccc43)n2)cc1 22378579 MKLUOFDURWUYFB-UHFFFAOYSA-N 377.400 3.833 0 40 GHAB COc1ccc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)c(OC)c1 9436282 ZXPZPIMTRHMDCV-UHFFFAOYSA-N 386.379 3.653 0 40 GHAB O=C(CN1CCN(Cc2csc(-c3ccccc3)n2)CC1)Nc1ccccc1 22834185 GZQHQNISHOONKY-UHFFFAOYSA-N 392.528 3.566 0 40 GHAB CC(=O)c1c(C)nc(C)nc1SCC(=O)N(C)[C@H]1CCCc2ccccc21 84019633 CTKFHBQDVVAPAE-SFHVURJKSA-N 383.517 3.924 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2ccccc2n1 937640 XVSOZZLOMDDNNB-UHFFFAOYSA-N 395.484 3.662 0 40 GHAB COc1ccc(C(N)=O)c(OCC(=O)N(C2CCCCC2)C2CCCCC2)c1 23659069 WTURDMMAJQLCGH-UHFFFAOYSA-N 388.508 3.667 0 40 GHAB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cc(Cl)ccc1Cl 54225127 TYMYRHHGPOPSPA-UHFFFAOYSA-N 382.266 3.893 0 40 GHAB COc1ccc(OC)c(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c1 1397110 LRVKKLQSTGBCJP-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)CCc2nc(-c3ccco3)no2)n1 25014526 WVWIRXYKVCSWOI-UHFFFAOYSA-N 377.404 3.703 0 40 GHAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 25384815 XDBFEXRCNYKWSL-IBGZPJMESA-N 394.475 3.820 0 40 GHAB COc1ccc(C2=N/C(=C/c3ccc(OC(F)F)c(OC)c3)C(=O)O2)cc1 3291634 XPVTZDQKIBLXNL-NTEUORMPSA-N 375.327 3.650 0 40 GHAB O=C(NCCCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1cccs1 25841164 FRXFGEUOCQQNEZ-UHFFFAOYSA-N 396.516 3.541 0 40 GHAB COc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1F 56811146 OGZCBNIZWHOSAF-HNNXBMFYSA-N 391.462 3.808 0 40 GHAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 106755407 RDNGXLRHSRBJGZ-LGMDPLHJSA-N 388.489 3.524 0 40 GHAB CCC(C)(C)n1nnnc1[C@H](CC(C)C)N1CCN(Cc2ccccc2)CC1 20139897 NRSLVRREVYWBEH-FQEVSTJZSA-N 384.572 3.723 0 40 GHAB C[C@H](NC(=O)c1cccc(Cl)c1)c1cc(F)ccc1N1CCC(O)CC1 78996284 VFRRAHAOFFXZMW-ZDUSSCGKSA-N 376.859 3.931 0 40 GHAB CCN(CC(=O)NCc1cccs1)C(=O)c1cc(C)n(Cc2ccco2)c1C 23182958 HBOVWKQANXEBBQ-UHFFFAOYSA-N 399.516 3.586 0 40 GHAB CCCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 19940200 VAMJAAMHZJOPTA-UHFFFAOYSA-N 398.536 3.562 0 40 GHAB COc1ccc(N2C(=O)c3ccccc3N(C)[C@@]23C(=O)Nc2ccccc23)cc1 58161797 ZBCSYBOWRKNZHM-HSZRJFAPSA-N 385.423 3.597 0 40 GHAB O=C(c1cccc(OCc2cccnc2)c1)N1CCC(N2CCCCC2)CC1 58201652 XNMSUSSPZKTCDD-UHFFFAOYSA-N 379.504 3.751 0 40 GHAB CCOc1ncccc1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 28041782 QZNKQDKDBJYFMV-UHFFFAOYSA-N 394.802 3.631 0 40 GHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1csc(-c2ccccc2)n1 12766009 AZXNXNMMULOVQG-QGZVFWFLSA-N 399.541 3.675 0 40 GHAB CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1Br 12795029 RLPIVQSWGIDNPW-UHFFFAOYSA-N 376.222 3.548 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CCC(=O)c2ccc(Cl)cc2)c(C)c1 12750187 AXUSTOCNTINEDB-UHFFFAOYSA-N 386.879 3.983 0 40 GHAB CCc1ccc([C@H](N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C(C)C)cc1 11049968 YPTBELNAMXDQCL-VBKZILBWSA-N 380.492 3.733 0 40 GHAB CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)c(C)n1 36616121 AYHZOOVVLPXUDA-UHFFFAOYSA-N 388.475 3.874 0 40 GHAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C)cc1 2403827 WCVNOKMUXBIBNH-NRFANRHFSA-N 390.483 3.988 0 40 GHAB CC[C@H](C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1ccccc1 25297782 KYHMKIAJRGZEOD-KXBFYZLASA-N 377.448 3.610 0 40 GHAB COc1ccc(-c2cc(=O)[nH]c(NCCc3c[nH]c4ccc(OC)cc34)n2)cc1 9482465 FLWXFWQXQYTSKH-UHFFFAOYSA-N 390.443 3.590 0 40 GHAB C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)c1cccc(Cl)c1 18339044 MTFKXNZSCQENCX-AWEZNQCLSA-N 385.847 3.891 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 12922728 DPAHDRMUDULPOD-BZUAXINKSA-N 377.362 3.765 0 40 GHAB COc1cccc(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 6421150 DMYNFTOSZBCQKX-CMDGGOBGSA-N 379.334 3.909 0 40 GHAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2F)sc2c1CCCC2 6455496 KQZNJDYSELQBFF-LLVKDONJSA-N 377.437 3.959 0 40 GHAB C/C=C/C(=O)OCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 6559121 MOGDGORAPFJOGM-OBNPVOHOSA-N 393.892 3.869 0 40 GHAB Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)[nH]n2)cc1 14526308 MOKAJEPMIQRPKU-INIZCTEOSA-N 386.459 3.799 0 40 GHAB CCN(CC)C(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc12 4734670 CUQRBLHXALRJCF-HSZRJFAPSA-N 389.499 3.900 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1cccc(-c2nnc3n2C[C@@H](C)S3)c1 4727395 VYCZNAKJVFHGQO-GFCCVEGCSA-N 396.472 3.709 0 40 GHAB Cc1nc2nc(C(F)(F)F)nn2c(O)c1Cc1ccc(Br)cc1 9167639 IDTBGNPYJOPSCW-UHFFFAOYSA-N 387.159 3.510 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1OCC 5739703 YOOSTQSBOVTIPG-UHFFFAOYSA-N 377.824 3.933 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1C)S2 6811778 MDXXYKRMPAUDMS-MSOLQXFVSA-N 379.489 3.547 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(C(C)C)C(C)C)n1 5858794 KXSVUSNCGLZOSV-UHFFFAOYSA-N 382.917 3.871 0 40 GHAB C[C@H](OC(=O)c1ccc2cc[nH]c2n1)c1nc2ncc(Br)cc2[nH]1 96013421 BBWCRVLIDJKFMV-QMMMGPOBSA-N 386.209 3.515 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5980769 BDWZTLVNDGNXSU-AWEZNQCLSA-N 379.378 4.000 0 40 GHAB Cc1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1C 113965076 HGKVIGKBJHTURE-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB COc1ccc(NC(=O)c2sccc2NC(=O)c2cnccn2)cc1Cl 67336044 SQNXPCSFIDOFSA-UHFFFAOYSA-N 388.836 3.705 0 40 GHAB O=C(NCc1ccccc1F)c1ccccc1OCc1cn2ccccc2n1 7319014 JJPLVAIATYAETL-UHFFFAOYSA-N 375.403 3.982 0 40 GHAB O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 7407066 HBXOVNPNEOYSRR-CYBMUJFWSA-N 394.805 3.929 0 40 GHAB COc1ccc(-c2csc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)n2)cc1 7400636 AJXVHUNUIQTRKH-QGZVFWFLSA-N 380.425 3.539 0 40 GHAB CCc1ccccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(C)cc1 9237333 MPVLGYSRJPAQKS-RTBURBONSA-N 393.516 3.855 0 40 GHAB Cc1cc(C)c2c(=O)cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)oc2c1 15859919 YGSOJBJIPQYGNC-INIZCTEOSA-N 380.444 3.570 0 40 GHAB NC(=O)c1c(NC(=O)CSc2ccc3ccccc3n2)sc2c1CCC2 9378890 NEDZUXGUVLZJBY-UHFFFAOYSA-N 383.498 3.615 0 40 GHAB CC[S@@](=O)c1ccccc1C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 8405467 JGULDFWUBBDGAI-NDEPHWFRSA-N 395.528 3.889 0 40 GHAB C[C@@H](c1cccnc1)N1CCN(CCc2cccc(OC(F)(F)F)c2)CC1 97020408 IINRPMRXEIYBRJ-INIZCTEOSA-N 379.426 3.902 0 40 GHAB O=C1NCCN1c1cccc(NC(=O)N(CCC(F)(F)F)C2CCCC2)c1 79055938 TXECNMRJNUKSDB-UHFFFAOYSA-N 384.402 3.945 0 40 GHAB O=C(COC(=O)c1cccc(Cl)c1)NCc1ccccc1Br 72333822 JFLSEHZGGFAYIO-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB CC(C)[C@H](NCc1cnn(Cc2ccccc2)c1)c1nc(-c2ccncc2)no1 95348908 FFTUKIBNLZFEKK-FQEVSTJZSA-N 388.475 3.863 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 408655925 SGLFNOQQKRVCGM-HKUYNNGSSA-N 379.456 3.779 0 40 GHAB OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1NCc1csc(-c2cccs2)n1 95400273 MGXJUVSGLNHZRG-PKOBYXMFSA-N 399.585 3.844 0 40 GHAB C[C@@H](c1cccc(F)c1)N1CCN(C(=O)C[C@@H]2CCOc3ccccc32)CC1 95406662 OWEMCGSLUNAGMO-HKUYNNGSSA-N 382.479 3.987 0 40 GHAB O=C(CCOCc1ccccc1)OCc1cc(=O)c(OCc2ccccc2)co1 95963925 NGKQRAFKOWVZFG-UHFFFAOYSA-N 394.423 3.869 0 40 GHAB CN1CC[C@H]2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)[C@@H]2C1 95995533 AVRMOIRYWDGVQC-MGPUTAFESA-N 396.466 3.636 0 40 GHAB O=C(Nc1cnccc1N1CCCCC1)c1cccn(Cc2ccccc2)c1=O 95958980 POJPWCVDYOLPNA-UHFFFAOYSA-N 388.471 3.534 0 40 GHAB Cc1ccc(S(=O)(=O)Oc2ncnc3c(F)cc(Br)cc23)cc1 74942575 KVSQQLGLEKVQKX-UHFFFAOYSA-N 397.225 3.608 0 40 GHAB in-vitro O=S(=O)(NCc1ccc(-c2ccc(Br)cc2)o1)c1cccnc1 89794092 PPFCJKJBMXATDL-UHFFFAOYSA-N 393.262 3.583 0 40 GHAB Cc1nc(Cn2ccnc2[C@H]2CN(C(=O)CC3CC3)Cc3ccccc32)cs1 306125914 DFMXAWCKEPLGMG-FQEVSTJZSA-N 392.528 3.971 0 40 GHAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)cc1F 408693029 BPMBTILDTYLXPB-UHFFFAOYSA-N 389.901 3.699 0 40 GHAB Cc1nc(-c2noc(-c3ccccc3)n2)cn1CC(=O)Nc1cc(F)ccc1F 67246283 KMIBJYIJNFPDOV-UHFFFAOYSA-N 395.369 3.825 0 40 GHAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1nccs1 408581482 IMWAXSDINIATBA-UHFFFAOYSA-N 376.507 3.725 0 40 GHAB O=C(N[C@H]1COc2ccccc2C1)c1cccc(-n2nccc2C(F)(F)F)c1 501893522 RGXNCYWKTCHBGN-OAHLLOKOSA-N 387.361 3.625 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCCCOC 30758817 YXRBWWUDCZZWPU-NRFANRHFSA-N 398.503 3.866 0 40 GHAB COc1ccc(-c2cn(-c3ccc(F)c(Cl)c3)c3ncn4nnnc4c23)cc1 3852023 MTYVNPOSAJLHMN-UHFFFAOYSA-N 394.797 3.931 0 40 GHAB biogenic Cc1cccc([C@@H]2C(=O)NCCN2C(=O)c2cc(Cl)c3ccccc3n2)c1 1533795407 ZSIPLLSYVNZQBD-LJQANCHMSA-N 379.847 3.510 0 40 GHAB CC[C@@H](NC(=O)CCSCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 219000073 VWGFSWUSAZFTSH-LJQANCHMSA-N 391.558 3.981 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)c(OC)c1 35289356 UEYMFSPQOOLLHC-SFHVURJKSA-N 383.448 3.647 0 40 GHAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1cc(C2CC2)on1 77200947 AIOQCPNTXTVQEC-OAHLLOKOSA-N 381.432 3.582 0 40 GHAB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(c(C(=O)O)cn2-c2cccc(F)c2)N1 66087892 DBKICPFDDKSGQY-AWEZNQCLSA-N 394.358 3.517 0 40 GHAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCCCCC2)CC1=O 82086506 YTPJYEFUMISEHZ-KRWDZBQOSA-N 396.535 3.553 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCc3ccco3)c2)cc1 224027362 FFIKUYLSDHHZDA-UHFFFAOYSA-N 398.484 3.751 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 225453863 QRVGIIBQFLFTNN-GOSISDBHSA-N 384.545 3.862 0 40 GHAB C[C@@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CC3)n2)C1 226003750 IFIPMEQQGUUGPY-CQSZACIVSA-N 383.521 3.954 0 40 GHAB Fc1ccc(Br)cc1-c1nn2c(-c3ccncc3)nnc2s1 40266348 KZCBTALWWLQFJF-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB CCC(CC)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224164624 MKGFOQJBPBROBQ-UHFFFAOYSA-N 378.469 3.569 0 40 GHAB COc1ccccc1[C@H](C)NS(=O)(=O)Cc1cccc(Br)c1 222877248 YTHXKBLBFYRJOA-LBPRGKRZSA-N 384.295 3.638 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1cccc2ccccc12 225433593 GWAYPYZXJAWFGE-INIZCTEOSA-N 394.446 3.521 0 40 GHAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 222958115 TZJJALFKIRMXNV-VDGAXYAQSA-N 384.549 3.835 0 40 GHAB CSc1ncccc1C(=O)NC[C@@](O)(c1ccsc1)c1cccs1 238968130 ZDUIYFKXGJHXTN-QGZVFWFLSA-N 376.528 3.592 0 40 GHAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccc(Br)cc3F)C2)nn1 90592229 VYAROJRILGYINR-GFCCVEGCSA-N 393.260 3.542 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607545 UVYDRFYVDKKZDJ-AWEZNQCLSA-N 394.393 3.938 0 40 GHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3nc(CC(C)C)n[nH]3)c12 95476393 QSLIOSXTEXKRGF-UHFFFAOYSA-N 376.420 3.767 0 40 GHAB CN(C)CCNC(=O)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1 96154364 RMQWKLFFXYZSSV-UHFFFAOYSA-N 382.445 3.503 0 40 GHAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1c[nH]c2ccc(F)cc2c1=O 96118484 GNNNLFXWTUREPQ-UHFFFAOYSA-N 392.434 3.686 0 40 GHAB CN1C(=O)C[C@@H](N2CCc3c([nH]c4ccccc34)[C@H]2c2ccccc2Cl)C1=O 242495777 GPVFEZXCNNOIKT-WIYYLYMNSA-N 393.874 3.526 0 40 GHAB O=C(c1cc[nH]n1)N1CC[C@@H](Nc2cccc(F)c2)[C@@H](Cc2ccccc2)C1 257277990 OAHSDERQWQJQAE-FXAWDEMLSA-N 378.451 3.734 0 40 GHAB CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N1CCC(N=c2cccn[nH]2)CC1 585081716 MMHSEGFWJVYKPQ-YZOUICBYSA-N 384.568 3.934 0 40 GHAB O=C(N=c1cc(C2CCCC2)[nH][nH]1)c1ccc2c(c1)nc(O)n2C1CCCC1 605388236 AXSRMPJKEJIYLA-UHFFFAOYSA-N 379.464 3.912 0 40 GHAB CCn1cc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c(C2CC2)n1 630876656 BMNVTEVAXKKHEB-UHFFFAOYSA-N 386.883 3.922 0 40 GHAB C[C@H]1CC(CNC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)C[C@H](C)C1 1230794018 UTBLVUIKULPCQK-IAGOWNOFSA-N 392.588 3.865 0 40 GHAB O=C(c1ccc(Br)o1)N1CC(Oc2nc3c(F)cccc3s2)C1 90593943 RZWIAYHDFNTAQQ-UHFFFAOYSA-N 397.225 3.694 0 40 GHAB Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)NCC1(Cc2ccccc2)CCCCC1 598923829 PZTCAVWJOGICFM-WOJBJXKFSA-N 396.535 3.743 0 40 GHAB COc1cccc([C@H](CNC(=O)CCc2ccccc2Br)OC)c1 96390139 AJFYGEDLQBCXOF-SFHVURJKSA-N 392.293 3.894 0 40 GHAB CC(C)C[C@H](O)C(=O)N1CCC[C@]2(CCCN2Cc2cccc(F)c2)CC1 585100803 WYQOAOGINDSTOL-UNMCSNQZSA-N 376.516 3.580 0 40 GHAB COc1cccc(-c2ccc(C(=O)N3[C@H]4CC[C@H]3CC(n3cncn3)C4)cc2)c1 824787265 QAENARNYVFIVOM-PMACEKPBSA-N 388.471 3.962 0 40 GHAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cccc(Br)c1 5897357 GCSJCXKMDBRRTA-UHFFFAOYSA-N 393.262 3.583 0 40 GHAB COc1ccc(-c2c(C)nn3c(N4CCC(O)CC4)c4c(nc23)CCCC4)cc1 12113409 IAFMQKCQXPWORS-UHFFFAOYSA-N 392.503 3.553 0 40 GHAB c1coc(-c2nc3c4c5c(sc4nc(NC[C@H]4CCCO4)n3n2)CCC5)c1 12407343 JRPHFSAIQZFUHP-LLVKDONJSA-N 381.461 3.679 0 40 GHAB CC(C)(C)NC(=O)NC(=O)CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 12543941 UTSMOZFMTXNSHK-UHFFFAOYSA-N 385.308 3.760 0 40 GHAB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 13562395 JSRSHQJCNXRJKF-YQMDMEMYSA-N 392.455 3.719 0 40 GHAB CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1OCC 13670508 BFDGQWYTCZHZHH-AWEZNQCLSA-N 381.469 3.804 0 40 GHAB COc1cc(OC)cc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)c1 15394883 GBPAFJSYNOGUNW-NSHDSACASA-N 380.238 3.872 0 40 GHAB CC(C)C[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1 15520090 IUGCNRDIPCRREK-IBGZPJMESA-N 375.472 3.860 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)cc1OC 19078648 BQBXKGXOHZKMTM-RHSMWYFYSA-N 399.443 3.564 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCC(c2cc3ncc(C)nc3[nH]2)CC1 19239368 SHKZPAXFFFGSLZ-UHFFFAOYSA-N 384.867 3.948 0 40 GHAB CCOc1cc(CN2CCC([C@H](NC(C)=O)c3ccccn3)CC2)ccc1OC 19531930 UMVPAKHPSSSIQO-QHCPKHFHSA-N 397.519 3.578 0 40 GHAB Cc1sc(NC(=O)CN2CCC[C@H]2Cn2cccn2)nc1-c1ccc(F)cc1 19658684 XYFFCXBBBXKXQG-KRWDZBQOSA-N 399.495 3.557 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(N2CCCCC2)cc1 19716089 HLADLKJIHUFIEQ-UHFFFAOYSA-N 393.531 3.786 0 40 GHAB CC(C)(CNC(=O)CC1CCN(Cc2ccccn2)CC1)c1ccccc1F 19748733 LGBAPVZZVHKJNR-UHFFFAOYSA-N 383.511 3.917 0 40 GHAB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)c2ccccc2)C1=O 8159775 YWCPXFKBMHEOAY-LICLKQGHSA-N 398.396 3.523 0 40 GHAB CC(=O)N1c2ccccc2C(CSc2nnnn2-c2ccccc2)=CC1(C)C 17079988 KCPLTCBFMARDGZ-UHFFFAOYSA-N 391.500 3.983 0 40 GHAB CN1CCN(Cc2ccncc2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19589536 LJTHSKFLSTVMCB-DEOSSOPVSA-N 385.511 3.882 0 40 GHAB Cc1nc(C(=O)N2CC[C@@H](COc3ccc(-c4cccc(F)c4)nn3)C2)cs1 1888904016 PHLRMBVQZJGKQK-CQSZACIVSA-N 398.463 3.589 0 40 GHAB Cc1cc(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)nn1C 1890133914 ZFBUTAYMHDEUCK-UHFFFAOYSA-N 375.476 3.569 0 40 GHAB Cc1cnc2c(S(=O)(=O)N(C)Cc3cnn(-c4ccccc4)c3)cccc2c1 29349912 GRWLKJDWFGZZIH-UHFFFAOYSA-N 392.484 3.550 0 40 GHAB COC[C@H]1CC2(CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)CN1Cc1cccnc1 1565542456 BPSKZDPQDSZLJS-GGAORHGYSA-N 397.563 3.658 0 40 GHAB O=C(Oc1coc(CSc2ncccn2)cc1=O)c1c(F)cccc1Cl 4377270 VJISKANEUAYIFQ-UHFFFAOYSA-N 392.795 3.734 0 40 GHAB CCOc1ccc2ncc(C(=O)c3ccccc3)c(N3CCN(C)CC3)c2c1 6000466 JHADVXBWSIVLSF-UHFFFAOYSA-N 375.472 3.616 0 40 GHAB Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)cc1C 1775977053 FTOKVHMTQLBTJT-LJQANCHMSA-N 394.496 3.820 0 40 GHAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)Nc1ccc(Cl)cc1 23106123 UUARBESDCOTSOU-GOSISDBHSA-N 377.847 3.674 0 40 GHAB O=C(Cn1cncn1)Nc1ccccc1-c1csc(-c2ccccc2F)n1 208011670 VKANGMKFWWGPEH-UHFFFAOYSA-N 379.420 3.846 0 40 GHAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(Oc2ccsc2)CC1 575618168 DXWJYLYYOXZPSE-UHFFFAOYSA-N 375.874 3.773 0 40 GHAB Cc1cc(C)n([C@H](CNS(=O)(=O)c2ccccc2Cl)c2ccsc2)n1 575614123 OGZNAAYKYFHQCV-MRXNPFEDSA-N 395.937 3.783 0 40 GHAB Cc1ccc(OCCC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c(C)c1 40069448 GVEMXSJIRYZOPQ-UHFFFAOYSA-N 395.503 3.885 0 40 GHAB O=C(COC(=O)c1ccccc1F)Nc1cc(C2CC2)nn1-c1ccccc1 40057227 CIZQJAHJYIDQOJ-UHFFFAOYSA-N 379.391 3.684 0 40 GHAB CC(C)c1c(C(=O)NCCCc2nc3ccccc3[nH]2)cnn1-c1ccccn1 30573397 UUSWECIVHAQFSK-UHFFFAOYSA-N 388.475 3.630 0 40 GHAB CC(C)(C)c1noc(CCC(=O)Nc2cccc(OCc3cccnc3)c2)n1 40145799 LVVDBNLDEMHQFH-UHFFFAOYSA-N 380.448 3.912 0 40 GHAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 32474824 AOLRMELZDJSCKB-LIRRHRJNSA-N 382.847 3.957 0 40 GHAB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1cccc2nsnc12 19079345 OPZFCKFGGWITIR-UHFFFAOYSA-N 396.255 3.723 0 40 GHAB Cc1c(-c2ccccc2)oc2c(C(=O)NCC[C@@H](O)C(C)C)cccc2c1=O 78875157 OBKLEPNALKZNOR-LJQANCHMSA-N 379.456 3.905 0 40 GHAB O=C(Nc1cccc2cccnc12)N1CCOC[C@@H]1C[C@H](O)c1cccs1 79058455 HYHFERKSRRMIQE-RDJZCZTQSA-N 383.473 3.653 0 40 GHAB O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1cccs1 79119382 ZMGKQUSQGXLVPI-OAHLLOKOSA-N 394.949 3.915 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 3038242 RQNGKDNYKFEWBP-NWDGAFQWSA-N 378.259 3.806 0 40 GHAB biogenic CCCCNC(=S)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 4133331 KPBHPPYCKCXGIW-UHFFFAOYSA-N 387.549 3.956 0 40 GHAB CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1-n1cccc1 4518508 RJMKVQXNRATROG-UHFFFAOYSA-N 396.303 3.991 0 40 GHAB COc1cc2cc3c(N)c(C(=O)N4CCC[C@@H](C)C4)sc3nc2cc1OC 4848866 KSYIZMAHNMSNCE-LLVKDONJSA-N 385.489 3.921 0 40 GHAB CCOc1ccc(NC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1 4888438 YIMZGRMOHQKFOP-UHFFFAOYSA-N 385.439 3.651 0 40 GHAB CC(C)c1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1 6263182 WLKKDRXRFGCTER-UHFFFAOYSA-N 387.530 3.586 0 40 GHAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccs3)cc2Cl)CC1 806950 QRHPLZJJNAKOCT-UHFFFAOYSA-N 391.924 3.958 0 40 GHAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)OC)C1=O 6942507 XNQOLKDDGOTILP-BOPFTXTBSA-N 385.441 3.838 0 40 GHAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2nc3ccccc3s2)CC1=O 7767761 FWSJQCOKOGVQCW-ZDUSSCGKSA-N 381.457 3.605 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 955501 BGSQTYMZKKTBMV-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB CSc1cccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 8040864 RQCKFZBEHPKSLH-UHFFFAOYSA-N 378.519 3.593 0 40 GHAB Cc1cc(NC(=O)[C@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)no1 12542365 DQOXFDLPRSTDEE-OAQYLSRUSA-N 390.443 3.902 0 40 GHAB O=C(c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)N1CCc2ccccc2C1 23689951 MDWGZYSMDSMGCL-UHFFFAOYSA-N 396.446 3.681 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2Br)nnc1C(C)C 20034416 CKYUJHWYDOSAJT-UHFFFAOYSA-N 383.315 3.915 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C2CC2)C1 26581585 WKRCIJVNWJAHOZ-RBSFLKMASA-N 385.537 3.660 0 40 GHAB C[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3Cl)c2C(N)=O)C1 1946608 BYCGYYIBTWZBGB-SNVBAGLBSA-N 378.881 3.643 0 40 GHAB CC(C)c1nc2cc(NC(=O)CCn3cnc4sccc4c3=O)ccc2o1 48286711 HXJBHLKXPPUDGX-UHFFFAOYSA-N 382.445 3.751 0 40 GHAB COc1ccc2cc(CNCc3ccccc3OCC(=O)N(C)C)ccc2c1 58165816 CNTKPSHTHHVMBL-UHFFFAOYSA-N 378.472 3.605 0 40 GHAB Cc1nn(C)c(C)c1NC(=O)CN1CCCC[C@H]1c1nc2ccccc2s1 58160501 WKHLASQHLXHIFY-INIZCTEOSA-N 383.521 3.812 0 40 GHAB CN(CCOc1ccccc1Cl)C(=O)c1ccc(NC(=O)C2CC2)s1 10284417 GPPDAYKPJXFTTF-UHFFFAOYSA-N 378.881 3.901 0 40 GHAB CCc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 12750099 IMLZMFPJNIKACF-UHFFFAOYSA-N 379.456 3.755 0 40 GHAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 12752522 BBLNWUPNPIBALF-RYUDHWBXSA-N 389.429 3.790 0 40 GHAB CCOc1c(I)cc(C(=O)Nc2ccccc2)cc1OC 108051426 VUBNCPKXIRUXKF-UHFFFAOYSA-N 397.212 3.951 0 40 GHAB COc1ccc(CCNC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 12778946 BYSJHZVXGIJWBK-UHFFFAOYSA-N 386.448 3.842 0 40 GHAB COc1ccc2cc(CNC[C@H](c3ccc(C)o3)N3CCOCC3)ccc2c1 53602196 NCDJMGKPBWIPSR-JOCHJYFZSA-N 380.488 3.913 0 40 GHAB Cc1ccsc1CN(C[C@@H]1CCCO1)C(=O)c1cc(=O)c2ccccc2o1 27992836 SXYOSNWXRXZOBV-HNNXBMFYSA-N 383.469 3.984 0 40 GHAB O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CCN(CCc2ccccc2)CC1 58417453 UPHKFAHDVRUFOY-UHFFFAOYSA-N 385.870 3.961 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 28293643 RKSVOSPSYMGVGE-QGZVFWFLSA-N 379.460 3.963 0 40 GHAB C[C@H](Sc1nc2ncccn2n1)C(=O)N[C@H](C)c1cccc2ccccc12 28513682 PPVYLLUMFJIFAD-KGLIPLIRSA-N 377.473 3.636 0 40 GHAB CCc1ccc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1 27986192 LZCDCWXEZFLSBX-UHFFFAOYSA-N 390.505 3.540 0 40 GHAB Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2cc(Cl)cc(Cl)c2)o1 48343443 VBSYPKGLUBXWHT-UHFFFAOYSA-N 391.320 3.647 0 40 GHAB CCN(CC)COC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 28632539 RNJPCXGJUCMPGQ-UHFFFAOYSA-N 390.867 3.814 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl 12864549 FPWGOKFXSPVIKF-SWLSCSKDSA-N 386.323 3.559 0 40 GHAB CCc1sc(C(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1C 60065595 HVJXZHFDNSRMTB-CYBMUJFWSA-N 387.423 3.807 0 40 GHAB Cc1ccccc1SCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 12802171 OCBXSEZNDNZDSG-UHFFFAOYSA-N 392.527 3.739 0 40 GHAB C[C@@H](NC(=O)c1ccc(Br)cc1F)c1ccc(-n2cncn2)cc1 12852655 VRFBVHJIEGNJIE-LLVKDONJSA-N 389.228 3.660 0 40 GHAB COc1cccc(CNC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)c1 12988765 FLJLARNINDLIOW-UHFFFAOYSA-N 382.489 3.631 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1ccc(C)cc1 12937232 OBUCBGDURSNMKY-FQEVSTJZSA-N 386.517 3.724 0 40 GHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nn3cnc4ccccc43)c12 13014562 HFOJYNSXZBIECU-UHFFFAOYSA-N 382.427 3.677 0 40 GHAB CCOC(=O)c1c(NC(=O)C[C@@](C)(C(=O)O)c2ccccc2)sc(C)c1C 13251066 INYADMCTKTZUPC-HXUWFJFHSA-N 389.473 3.913 0 40 GHAB O=C(Nc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6152844 CCTRYEYBURBVRO-KRWDZBQOSA-N 388.423 3.603 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)ccc1Cl 6202797 WCXDBYVCWWKXPS-UHFFFAOYSA-N 399.863 3.832 0 40 GHAB CCOC(=O)/C(=C\Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 5250297 QPXQEYOKLCKESZ-XMHGGMMESA-N 389.473 3.684 0 40 GHAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccncc2)no1 5323773 PIGOPNYGUOQHON-QGZVFWFLSA-N 393.786 3.888 0 40 GHAB CSc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc1 14167717 RDZCRWCZQCUJSK-AWEZNQCLSA-N 377.506 3.752 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCCO3)c(C(F)(F)F)c1 14120020 ZAQXZPIXFUVAJF-UHFFFAOYSA-N 380.322 3.687 0 40 GHAB O=c1[nH]c(CSc2nc(C3CC3)n(-c3ccccc3)n2)nc2ccsc12 6587883 GINGJWLMWZHHSV-UHFFFAOYSA-N 381.486 3.735 0 40 GHAB COc1ccc(CN2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 306129405 ICDATFRAJWNURO-FQEVSTJZSA-N 385.471 3.789 0 40 GHAB CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2C(C)C)cc1 4738793 HUWMIYUWSOZSQQ-LJQANCHMSA-N 379.460 3.823 0 40 GHAB COc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(NC(=O)c2ccco2)cc1 15369167 XDVFYHGAEHYRBS-OAHLLOKOSA-N 394.427 3.624 0 40 GHAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc2c(c1)OCCCO2 19626971 KQZVGLLWZFQTGB-UHFFFAOYSA-N 388.851 3.590 0 40 GHAB Cc1cc(C)c2c(C)c(C(=O)N3CCN(CCc4ccccn4)CC3)oc2c1 15833194 OCBLVVFLCCHWRF-UHFFFAOYSA-N 377.488 3.754 0 40 GHAB O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccc(Cl)cn1 7735765 PMKJDKXFRQNEPF-UHFFFAOYSA-N 383.835 3.891 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 7985930 KAAVJGVPAFDVLP-UHFFFAOYSA-N 399.406 3.675 0 40 GHAB C[C@H]1CCCC[C@@H]1N1CCN(C(=O)COc2ccc(Br)cc2)CC1 19842046 JMCNWSNSAWRKBD-YJBOKZPZSA-N 395.341 3.551 0 40 GHAB Cc1ccc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 8750618 WYWCHSUCKFAFCW-AWEZNQCLSA-N 391.874 3.993 0 40 GHAB O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl 56997372 UUJZCKLZWCRRMM-UHFFFAOYSA-N 378.303 3.545 0 40 GHAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)no2)cc1 21805489 GQWGWGBSBHDNGM-GOSISDBHSA-N 397.500 3.515 0 40 GHAB CC[C@@H]1CCC[C@@H](CCCNC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)N1 1505840649 LCDSFEBAJCEZQM-KJFGXLEFSA-N 393.616 3.771 0 40 GHAB CCC(=O)N[C@H]1CN(Cc2ccsc2)C[C@@H]1c1cn(C)c2ccc(OC)cc12 72395738 WSXWOIRIHQJXFN-UXHICEINSA-N 397.544 3.743 0 40 GHAB CCn1ccc(C(=O)N2CCC[C@@H](c3nccnc3Oc3cccc(F)c3)C2)n1 72362973 KOUFLWMWNIYCPU-OAHLLOKOSA-N 395.438 3.644 0 40 GHAB CC1CCN(Cc2nc3ccccc3n2S(=O)(=O)c2ccc(F)cc2)CC1 35289189 HKQAXHRNYKFWPD-UHFFFAOYSA-N 387.480 3.644 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 219333352 SKBOMGOCGVASGZ-LJQANCHMSA-N 395.459 3.836 0 40 GHAB O=c1c2nnc(SCc3ccccc3Cl)n2ccn1-c1ccc(F)cc1 64593293 LLUGLGOPTPKXDM-UHFFFAOYSA-N 386.839 3.965 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(CN3CCCC3=O)cc2)c1 125531387 UGAVAVWPAYQAFB-UHFFFAOYSA-N 394.515 3.936 0 40 GHAB CCc1nnc(Nc2cc([C@H]3CCCN3C(=O)C3CCCC3)nc(C)n2)s1 72360322 OPQGKMQKFWJIMK-OAHLLOKOSA-N 386.525 3.796 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 39758083 JIMIPWSFSHUUGX-IBGZPJMESA-N 396.531 3.799 0 40 GHAB O=C(NCc1ccc(Cl)s1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 43185349 INZHONIQNVBPSG-UHFFFAOYSA-N 399.925 3.508 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1C 224629800 AVXGLVFIAJEHPP-OAQYLSRUSA-N 396.531 3.668 0 40 GHAB Cc1noc(C)c1S(=O)(=O)NCCSCc1ccc(Cl)c(Cl)c1 222719741 XEHXPWCIHLNWRD-UHFFFAOYSA-N 395.333 3.810 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C 224125077 DCTMMHIIOSOMKT-HXUWFJFHSA-N 382.504 3.626 0 40 GHAB CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224954397 OEEWDCVZYADMDQ-UHFFFAOYSA-N 385.869 3.581 0 40 GHAB CCOC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 224701691 PUKNJCAVPAEQFE-UHFFFAOYSA-N 381.881 3.715 0 40 GHAB CN(Cc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 224074235 YNLXEAXLYVZJDK-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)c(OC)c1 224794009 ZVBFGSCGWDPDCZ-RTBURBONSA-N 381.457 3.869 0 40 GHAB Cc1ccnc(NC(=S)N[C@@H](CC(=O)O)c2ccc(Cl)cc2Cl)n1 225216258 LBXLIPQEJMJKQQ-LBPRGKRZSA-N 385.276 3.594 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 224165578 LMQRYWYGDNSLQX-JOCHJYFZSA-N 396.531 3.934 0 40 GHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(OC)c(OC)c1OC 222992248 MOUIBKKADQOLAN-SFHVURJKSA-N 387.476 3.803 0 40 GHAB CC(C)CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CC1)c1ccccc1O2 96243222 PFZWKDCXSIJGEO-QGZVFWFLSA-N 384.520 3.629 0 40 GHAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)NCc2ccc(Cl)cc2)CC1=O 243334286 LQRXFBLADZRCCJ-AWEZNQCLSA-N 377.271 3.971 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)cn1 257248440 JDSBABQIPUJFLS-INIZCTEOSA-N 380.423 3.523 0 40 GHAB CCc1nccn1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257335182 YIYXKFUDLKQZCV-LJQANCHMSA-N 396.466 3.917 0 40 GHAB O=C(c1cccc(O)n1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257213365 CHGCVPRCEFDFMT-GOSISDBHSA-N 381.407 3.873 0 40 GHAB CCOc1ccccc1NC(=O)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 96025563 RDONWOBXFNVGQN-INIZCTEOSA-N 388.489 3.556 0 40 GHAB Cc1ccc(N2CCC[C@H](C(=O)Nc3ccc(Br)cc3C)C2)nn1 585234396 PDXGQCFFYJGDNV-AWEZNQCLSA-N 389.297 3.711 0 40 GHAB Cc1c(NC(=O)c2ccccc2I)cccc1C(=O)O 20137861 FNIDIMCHLGTSCX-UHFFFAOYSA-N 381.169 3.550 0 40 GHAB O=C(NC[C@H](c1ccccc1F)N1CCCC1)c1cccc(N2CCCC2=O)c1 12200998 SQTRFFVAJWOCSY-OAQYLSRUSA-N 395.478 3.519 0 40 GHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)NCc1ccc(Cl)cc1 12415323 ZIMWZJNNWIIESH-UHFFFAOYSA-N 395.889 3.820 0 40 GHAB C[C@@H](NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1)c1ccc(F)cc1 15521301 UMIQUGUBAKCTMD-QAPCUYQASA-N 376.497 3.746 0 40 GHAB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)C(C)(C)C)cc2s1 17077472 ZEAVZACGTDBSBO-UHFFFAOYSA-N 378.523 3.894 0 40 GHAB CN(C)c1nccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)CC2CCCCC2)n1 19585802 WIFKRSBJLRSNCO-GOSISDBHSA-N 382.512 3.567 0 40 GHAB C[C@@H]1CCCC[C@H]1N1CCN(C(=O)COc2ccc(Br)cc2)CC1 19842049 JMCNWSNSAWRKBD-CRAIPNDOSA-N 395.341 3.551 0 40 GHAB FC(F)(F)[C@H]1C[C@@H]([C@@H]2CCCN(CCc3ccccc3)C2)Nc2ncnn21 19371258 HIZFFJCGMQDKAJ-IXDOHACOSA-N 379.430 3.520 0 40 GHAB CN1CCN(Cc2ccccn2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19589531 LTFXNVVFEQHNEL-HSZRJFAPSA-N 385.511 3.882 0 40 GHAB Cc1cccc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2C)c1C 2720115 PKBJEESTYZIOKF-UHFFFAOYSA-N 392.484 3.762 0 40 GHAB CCCCC(=O)Nc1scc2c(C(=O)OCC)nn(-c3ccccc3)c(=O)c12 4121240 DOKSXIDJZPHZTQ-UHFFFAOYSA-N 399.472 3.753 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)C1 5304228 BPWLQTIKXCFECY-IAGOWNOFSA-N 375.472 3.563 0 40 GHAB CC(=O)c1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)c2ccccn12 10272872 VZIRBIOFIZBCQK-UHFFFAOYSA-N 384.819 3.899 0 40 GHAB CCn1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)n1 13702621 XGTIEIKVNIRNCK-UHFFFAOYSA-N 381.436 3.894 0 40 GHAB O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1c(F)cccc1Cl 575610843 BTYVNCCMIPLYQP-HXUWFJFHSA-N 377.843 3.523 0 40 GHAB Cc1ccc(-n2c(N)c(C(=O)NCc3ccc4c(c3)OCO4)sc2=S)cc1 12415461 QIHWEZDBCOVVTD-UHFFFAOYSA-N 399.497 3.818 0 40 GHAB Cc1cc(C)nc(Nc2nc(C(=O)Nc3nc4c(s3)CCCC4)cs2)n1 49032263 VKPPLGOMYPTBRB-UHFFFAOYSA-N 386.506 3.881 0 40 GHAB CCc1cc(C(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)sc1C 30107720 GVWISXJUQDDWJC-UHFFFAOYSA-N 388.533 3.594 0 40 GHAB O=C(CSc1ccc2c(c1)CCC2)N1CCC[C@H](c2nnc3ccccn23)C1 40011984 FNAJUQQCARUGHI-SFHVURJKSA-N 392.528 3.716 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCN[C@@]31C(=O)N(CCC(C)C)c2ccccc21 20064235 LKZLOLOHXHJTQP-XMMPIXPASA-N 389.499 3.959 0 40 GHAB biogenic Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)NCc2cc[nH]n2)n1 40120438 UCSZQQARHGPISM-UHFFFAOYSA-N 378.358 3.553 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)N2CCN(Cc3ccccc3)CC2)c1 40103922 JVSGELXPEXQSJD-UHFFFAOYSA-N 383.492 3.834 0 40 GHAB CCn1c(C)cc(C(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)c1C 32893455 AJZBLUSLEWJNPF-UHFFFAOYSA-N 398.532 3.861 0 40 GHAB COC(=O)c1sccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 32888396 XSFJEZCZRDCPHJ-UHFFFAOYSA-N 383.385 3.892 0 40 GHAB CC(=O)Nc1cc(C)nn1-c1ccc(NC(=O)CCOc2cccc(C)c2)cc1 32933236 RHWGAIUNBCCPPJ-UHFFFAOYSA-N 392.459 3.855 0 40 GHAB CC(C)[C@@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccc2c(c1)OCCO2 32900440 BBCSZVRAFCIYTL-HSZRJFAPSA-N 391.471 3.700 0 40 GHAB CCOc1ccc(Cc2c(Cl)nc(SC)nc2N2CCOCC2)cc1 915730 LOHIUQZVCIAFTD-UHFFFAOYSA-N 379.913 3.678 0 40 GHAB CCn1c(O)c(C(=O)Nc2cccc(Br)c2)c(=O)c2ccccc21 1240607 DKVLEGFQYDRYOZ-UHFFFAOYSA-N 387.233 3.742 0 40 GHAB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1[C@@H](C(=O)OC)CC2 1747462 KULZZOFQWLCQLP-JTQLQIEISA-N 393.848 3.643 0 40 GHAB CC(C)(C)[C@@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnnn32)C1 2280722 QZUDIGYYGXTNFV-GFCCVEGCSA-N 379.489 3.641 0 40 GHAB CC(C)(C)[C@@H]1CCc2c(sc3nc(NN)n(Cc4ccccc4)c(=O)c23)C1 2286806 FMAOUAHYKNOQTH-CQSZACIVSA-N 382.533 3.943 0 40 GHAB CCN(CC)c1ccc(NC(=O)CCC(=O)Nc2nnc(C(C)C)s2)cc1 2417814 NRHBVPJHWIVIAH-UHFFFAOYSA-N 389.525 3.865 0 40 GHAB Cc1cnc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)s1 2658842 VTDCBBSAXBYMEZ-UHFFFAOYSA-N 393.534 3.657 0 40 GHAB CCOc1ccc([C@@]2(O)[C@H](C)[N+]3=C(CCCC3)N2c2ccc(OC)cc2)cc1 3172621 NLDGUOOVOCFLIA-SBUREZEXSA-N 381.496 3.743 0 40 GHAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1 3201751 NPBJOCTZYQXLBP-UHFFFAOYSA-N 375.354 3.859 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc1 3240610 YUTJFWIRZATNFM-UZLBHIALSA-N 396.487 3.574 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)(C)C)cc3)n2N)cc1 3279336 KGSQFECPFQPTSZ-UHFFFAOYSA-N 395.532 3.996 0 40 GHAB CCc1ccc2nc(NC(=O)Cn3cc(C(F)(F)F)ccc3=O)sc2c1 3324835 GLQLCQXKDIJPDF-UHFFFAOYSA-N 381.379 3.678 0 40 GHAB O=C(CSc1ccc2ccccc2n1)Nc1ccc(N2CCOCC2)cc1 3340336 LDOMMSRKRUYNGS-UHFFFAOYSA-N 379.485 3.802 0 40 GHAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)c1ccc2c(c1)OCCO2 3358994 RTONBYLXXPGJJF-UHFFFAOYSA-N 391.210 3.970 0 40 GHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(C)s1 3359609 GAYXZXNQKYXMRM-UHFFFAOYSA-N 390.505 3.943 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 3366911 YQTAKPZSDHIPPP-UHFFFAOYSA-N 389.502 3.579 0 40 GHAB CCn1cc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)c2ccc(C)nc21 3424084 OSHDEDVBRQBBLW-UHFFFAOYSA-N 389.377 3.674 0 40 GHAB C[C@H]1CCc2nc3ccccc3c(C(=O)O[C@H](C)C(=O)NC3CCCC3)c2C1 3451139 WEKHTMWFUVEHKH-LSDHHAIUSA-N 380.488 3.964 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 4706316 JBNRTVNSSNRQDM-ZDUSSCGKSA-N 380.897 3.978 0 40 GHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCC(c3ccccc3)=N2)cc1 4835993 XYMOQEPYGKXWBT-UHFFFAOYSA-N 391.500 3.613 0 40 GHAB COCCN(C(=O)Cc1cccs1)c1nnc(-c2ccc(F)cc2)s1 4880382 MFHFOTPVAYNYRB-UHFFFAOYSA-N 377.466 3.628 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)c1 5047390 HGWAEIKNEUPLGG-UHFFFAOYSA-N 387.530 3.959 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)cc1OC 5252311 CYMSRJMYTOFHGP-UHFFFAOYSA-N 380.444 3.645 0 40 GHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 5570833 PBPFOORBYITQTE-UHFFFAOYSA-N 379.441 3.967 0 40 GHAB CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 6094152 WMCYQQPKXSGQRG-KBPBESRZSA-N 399.491 3.914 0 40 GHAB C[C@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)C12CC3CC(CC(C3)C1)C2 6286774 YDGCFOIFJORAEW-NSDYXAQKSA-N 380.488 3.675 0 40 GHAB CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2cccs2)cc1Cl 6348864 FXFFRWVLRHPTCO-UHFFFAOYSA-N 381.837 3.798 0 40 GHAB COc1cc(/C=C2/N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OCC#N 6441622 UIWWJUKDXHVIQU-OQLLNIDSSA-N 398.802 3.604 0 40 GHAB Cc1nnc(S/C(=C\c2ccc(OCc3ccc(C#N)cc3)cc2)C(=O)O)[nH]1 6588257 PGXTWNMOAVOCPL-ZDLGFXPLSA-N 392.440 3.782 0 40 GHAB Cc1nc(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c2ccccc2n1 6879131 WIMRNZNNWOKMPV-CYBMUJFWSA-N 395.484 3.679 0 40 GHAB CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCCC[C@H]2C)C1=O 6965165 HDYZTQIZHQTJLX-MTOJCTJASA-N 388.489 3.523 0 40 GHAB COc1ccc([C@@H](CNC(=O)CN2CCCCC2)c2c[nH]c3ccccc23)cc1 7339154 MZYQGHYUKCTTIR-OAQYLSRUSA-N 391.515 3.911 0 40 GHAB C[C@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 8135641 YZMVTOOSZFHHJB-RDJZCZTQSA-N 381.501 3.801 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2C2CC2)no1 8157158 JHOUNDBGISXFRA-LLVKDONJSA-N 387.440 3.835 0 40 GHAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCCCC1 8181101 PVAKZHUXYIWJMS-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1OC 8257683 VZHBOOGLYRODGV-LLVKDONJSA-N 388.493 3.627 0 40 GHAB O=C(CSCCCn1c(=O)[nH]c2ccccc21)N[C@H]1CCCc2ccccc21 8325496 WDFRSYKJUQKLLN-SFHVURJKSA-N 395.528 3.647 0 40 GHAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccccc1Cl 8412530 ISAADXWATWAGNJ-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)c1cc(Cl)c2c(c1)OCCCO2 8425127 BPZXXEIMGPNIBS-UHFFFAOYSA-N 385.851 3.589 0 40 GHAB Cc1ccccc1NC(=O)COc1ccc(C(=S)N2C[C@H](C)O[C@H](C)C2)cc1 8571343 OJVVVTZALAVXNG-CALCHBBNSA-N 398.528 3.797 0 40 GHAB Cc1cccc(C)c1OC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 8587448 OMVJLPXNDQYBOL-UHFFFAOYSA-N 384.413 3.780 0 40 GHAB O=C1N=C(O)[C@@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1c1cccc(Cl)c1 9009585 FDGFVGHNZNBHDH-UWJYYQICSA-N 395.846 3.975 0 40 GHAB C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C)C(N)=O 9944409 JHNJVTVFKSMOJN-JQWIXIFHSA-N 378.567 3.661 0 40 GHAB O=C(CN1CCc2sccc2C1)Nc1cc2c(cc1Cl)OCCCO2 10107448 ABHIZNJRNJPIRQ-UHFFFAOYSA-N 378.881 3.560 0 40 GHAB CN(C)CCNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl 10312677 YUKXYKPJLLCNQL-UHFFFAOYSA-N 380.275 3.537 0 40 GHAB COc1ccc(C2(C(=O)N[C@@H](C)c3nc(-c4ccncc4)n[nH]3)CCCC2)cc1 12114851 FXXKHTGFLSJCDY-HNNXBMFYSA-N 391.475 3.565 0 40 GHAB O=C(NC1CCCCCC1)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195627 NFXFSRNCFHQQBA-UHFFFAOYSA-N 384.929 3.723 0 40 GHAB Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 12293442 PXLLNBNSXKKVJZ-FGZHOGPDSA-N 381.516 3.996 0 40 GHAB O=C(CCn1cnc2ccccc21)Nc1ccc(N2CCCC2=O)c(Cl)c1 12535417 VCKZAODWJUJXJX-UHFFFAOYSA-N 382.851 3.845 0 40 GHAB Cc1cc(CN2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)no1 12818394 IZQBNLZMSJHLSZ-UHFFFAOYSA-N 391.500 3.977 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 12868176 FDJDNLQENNMWIW-LBPRGKRZSA-N 383.473 3.511 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Sc1nnnn1-c1ccc(Cl)cc1 13112383 IQTVHGMEQYHENY-FRRDWIJNSA-N 379.917 3.586 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 13117218 OWQNHEOEVGCJLF-CALCHBBNSA-N 396.487 3.831 0 40 GHAB Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)NC3CCCCCC3)n2n1 13230504 WGEOJAUVIPHFIU-ZDUSSCGKSA-N 383.521 3.906 0 40 GHAB CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc2c(c1)CCCC2 13941896 GQUZUDQPJMCSLS-UHFFFAOYSA-N 384.549 3.995 0 40 GHAB COc1ccc(CN(Cc2cnc(C(C)C)nc2)C[C@H]2CCCO2)cc1OC 13994246 YQDASFSWMVHXNW-LJQANCHMSA-N 385.508 3.798 0 40 GHAB C[C@H](Sc1nnc(Cc2ccccc2)n1Cc1ccco1)C(=O)N1CCCC1 14085783 INOBJQRHWVJCBP-INIZCTEOSA-N 396.516 3.613 0 40 GHAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1NCc1ccc(C)cc1 17297318 LYJGVBQDPVRRGB-UHFFFAOYSA-N 377.444 3.638 0 40 GHAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccnc(N3CCCC3)n2)s1 19217156 MRFCEWZOKBMODR-UHFFFAOYSA-N 396.564 3.736 0 40 GHAB Cc1nonc1-c1csc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)n1 19664216 LJJMFOUIMOTUJA-SNVBAGLBSA-N 387.465 3.893 0 40 GHAB Cc1cc(C)nc(N2CCO[C@H](c3ccc(Cc4ccccc4F)cn3)C2)n1 19692937 PGHNTCAWLNLQSC-NRFANRHFSA-N 378.451 3.796 0 40 GHAB O=C1CCCc2nc3nc(N4CCCCC4)[nH]c(=O)c3c([C@@H]3CC=CCC3)c21 20102099 VXIHCNXGHPYKLX-CQSZACIVSA-N 378.476 3.651 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2ccnc(Cl)c2)c(Br)c1 21742946 MEAKYFIWKMWLHI-UHFFFAOYSA-N 383.629 3.601 0 40 GHAB Cc1ccccc1CCNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 23612475 SDYUVBZSERIOPR-UHFFFAOYSA-N 391.437 3.984 0 40 GHAB COc1ccc(Cl)cc1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1 23882814 KXWLFZVAVJMYRJ-UHFFFAOYSA-N 390.848 3.796 0 40 GHAB O=C(CNC(=O)c1ccccc1F)Nc1cccc(NC(=O)c2cccs2)c1 24031035 PTQJFOPLLDFTTH-UHFFFAOYSA-N 397.431 3.508 0 40 GHAB CCC[C@H](C)NC(=O)CSc1nc(-c2ccco2)nc(C)c1C(=O)OCC 25044747 QIINFQYUSPXTKP-LBPRGKRZSA-N 391.493 3.619 0 40 GHAB COCc1c(C(=O)N2CCCc3c(C(=O)OC)cccc32)oc2ccccc12 25191542 IUQMYWATDFKJHD-UHFFFAOYSA-N 379.412 3.959 0 40 GHAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCOc2ccccc21 28666125 HEVAPGCLEPJBDH-CXAGYDPISA-N 388.876 3.783 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2ccc(I)cc2)cc1 30862797 NZZBDGASIZCNOG-NSHDSACASA-N 381.213 3.791 0 40 GHAB COC(=O)c1cccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1 32578605 OMLUXIKRAKTMJI-UHFFFAOYSA-N 395.415 3.664 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl 32588087 OBLUTAMZMPPADW-UHFFFAOYSA-N 392.260 3.820 0 40 GHAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1 32610738 GRSDYVJMYIEISQ-KBPBESRZSA-N 395.818 3.542 0 40 GHAB CCc1ccc([C@H](CNC(=O)c2ccc3nc(C)c(C)nc3c2)N(C)C)cc1 32841484 IMIVXQFQMXASEA-QFIPXVFZSA-N 376.504 3.842 0 40 GHAB CC(=O)N1C[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)Oc2ccccc21 32883685 CDDCCRDUEWMRTN-VQTJNVASSA-N 386.879 3.967 0 40 GHAB Cc1noc2ncc(C(=O)N[C@H](c3ccc4c(c3)OCCCO4)C(C)C)cc12 32905868 UOWWPSDACCUDSR-IBGZPJMESA-N 381.432 3.820 0 40 GHAB COc1cccc(CNC(=O)c2ccc(Cn3c(C)nc4ccccc43)o2)c1 35597057 BEBBYGJMQQQHAZ-UHFFFAOYSA-N 375.428 3.925 0 40 GHAB COc1cccc(-c2cc(C(F)(F)F)nc(NCc3cc(C)nn3C)n2)c1 36618568 BRSTWWZMGYDTTH-UHFFFAOYSA-N 377.370 3.825 0 40 GHAB COc1ccc(NC(=O)NCCCc2nnc(SC)n2C2CCCC2)cc1 40007563 QMGNVFTXHLDUFZ-UHFFFAOYSA-N 389.525 3.878 0 40 GHAB CN1CCC(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CC1 40050675 IMZJDKUKVKZGOP-UHFFFAOYSA-N 384.867 3.610 0 40 GHAB CC(C)Sc1ncccc1C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 40121002 GPJDCMZQQYHJFF-HNNXBMFYSA-N 381.505 3.645 0 40 GHAB CCCCOc1ccc(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1OC 40134283 DGPDKWLVVCMZTA-QGZVFWFLSA-N 382.460 3.616 0 40 GHAB O=C(CCCc1ccc(Cl)cc1)Nc1ccc(CN2C(=O)CCC2=O)cc1 40141852 DAGXEWHSQUORIK-UHFFFAOYSA-N 384.863 3.950 0 40 GHAB COc1ccc([C@H]2[C@H](C(=O)Nc3cccnc3)c3ccccc3C(=O)N2C)cc1 40287377 XNBIGFDQAOFDGM-RTWAWAEBSA-N 387.439 3.639 0 40 GHAB Cc1noc(C)c1CN(C)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 44242935 UPQPQQHULOVMEL-UHFFFAOYSA-N 376.844 3.736 0 40 GHAB O=C(CCc1nnc(-c2ccccc2)o1)N1CCC(Oc2ccccc2)CC1 55975418 PSWZUNGIKQLCTO-UHFFFAOYSA-N 377.444 3.739 0 40 GHAB C[C@@H](C(=O)c1ccc(F)cc1)n1nnc(-c2ccc(Br)cc2)n1 57485101 WDNQHZASMJEAGT-JTQLQIEISA-N 375.201 3.686 0 40 GHAB CCc1cccc(C)c1NC(=O)CN1CCN(c2nc3ccccc3s2)CC1 59644182 DBYIRWDXOSPFSN-UHFFFAOYSA-N 394.544 3.928 0 40 GHAB O=C(C[C@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21)c1ccco1 68713101 HSQWMLTVTOFHJB-OAQYLSRUSA-N 381.815 3.940 0 40 GHAB COc1ccc2cc(C(=O)NCCN3c4ccccc4C[C@H]3C)c(C)nc2c1 72045541 JGZCZXBNKSKEIN-OAHLLOKOSA-N 375.472 3.733 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(I)c[nH]1 72285730 PZGYGSFAOLDDEG-UHFFFAOYSA-N 397.241 3.501 0 40 GHAB COc1ccc(C2(CNC(=O)c3cccc4c3ccn4C)CCOCC2)cc1 72324913 HGUNEKUQNKTQEX-UHFFFAOYSA-N 378.472 3.665 0 40 GHAB biogenic O[C@H](c1nccs1)c1ccccc1N1CCN(Cc2ccc(F)cc2)CC1 72340469 DJXWRZUQWPCGTL-FQEVSTJZSA-N 383.492 3.686 0 40 GHAB Cc1ccc2c(c1)nc(CCNC(=O)Nc1nc(-c3ccccc3)ns1)n2C 78954153 AXMPZSRMDWDUTM-UHFFFAOYSA-N 392.488 3.764 0 40 GHAB COCCNc1ccccc1CNC(=O)Nc1ccc(-n2cccn2)c(Cl)c1 79111799 HMMYIASWJVFBLH-UHFFFAOYSA-N 399.882 3.906 0 40 GHAB O=C(Nc1cccc(C2SCCS2)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 84374392 FKCCCVHNMXQOPT-OAHLLOKOSA-N 376.547 3.752 0 40 GHAB Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2)C1CC1 95964193 MFTGDRPVZVVMLH-OAQYLSRUSA-N 376.456 3.720 0 40 GHAB CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21 96053034 MUKUNRIWYKSAIE-FQEVSTJZSA-N 394.563 3.700 0 40 GHAB O=C(C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21)NC1CC1 96053434 FCPURGSYLPJMNR-LJQANCHMSA-N 391.515 3.651 0 40 GHAB Cn1cnc2c(NCC3CC3)nc(C3CCN(C(=O)c4ccccc4)CC3)cc21 96267091 DHTGEBXPPZSFNN-UHFFFAOYSA-N 389.503 3.810 0 40 GHAB O=C1C[C@]2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)C2)Oc2ccccc21 96367504 JYQMMWBQSWKUAY-IBGZPJMESA-N 391.345 3.835 0 40 GHAB Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)c1 100626180 PRLYJWJHXKEZHV-HJEMKOJISA-N 398.462 3.805 0 40 GHAB C[C@@]12C[C@H](c3ccccc3O1)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N2 101368303 CTPFQTOWZIWMNG-OGWOLHLISA-N 390.361 3.672 0 40 GHAB CCc1ccc(N2C(=O)[C@H]3C(c4ccco4)=NN(c4ccccc4)[C@H]3C2=O)cc1 101460718 JEXBYCCOIRVSBY-PZJWPPBQSA-N 385.423 3.625 0 40 GHAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(C)c(OCC(F)F)c1 104384369 XYYPVWUUPYZEFH-GOSISDBHSA-N 388.414 3.551 0 40 GHAB CN1C[C@@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@@H]2[C@H]1c1ccccc1 106920675 QYGUSLVJRGZLOY-ZRCGQRJVSA-N 397.950 3.581 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1C 222946518 RPNUCAPYYOWMPW-QFIPXVFZSA-N 380.532 3.912 0 40 GHAB COc1ccc(CCC(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1C 223503153 NUQWKBQMJDTMFC-UHFFFAOYSA-N 379.460 3.953 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(C)C)cc2)cc1 223996603 DPVKKVQIXPJLSR-UHFFFAOYSA-N 392.546 3.985 0 40 GHAB CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 224883286 JLNOLHSFPANGHS-UHFFFAOYSA-N 388.258 3.812 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 225691966 YYCSCPSPCCZDTO-HXUWFJFHSA-N 396.531 3.830 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCCC[C@@H]2C)cc(C(F)(F)F)n1 225893048 MPANRNHKALFFQG-NSHDSACASA-N 375.464 3.817 0 40 GHAB Nc1nnc(-c2cc(Cl)c(OCc3cccnc3)c(Br)c2)o1 226341982 QWULZLXIQDNVEI-UHFFFAOYSA-N 381.617 3.709 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2c(C)cccc2C)CC1 242761790 DMUZUMAQWZUMHG-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)c1 244507938 ZMPFRIVEQOFAST-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@@H]1CCc1cnc(-c2c(C)noc2C)cn1 257215368 CPTPGMVZWVNKBZ-MRXNPFEDSA-N 397.504 3.751 0 40 GHAB COc1cccc(Cc2cnc([C@H]3CCCN3C(=O)c3cccc(C)n3)o2)c1 257323558 WKWFLLXJHANZBX-HXUWFJFHSA-N 377.444 3.955 0 40 GHAB CCN(c1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1)S(C)(=O)=O 260922390 GOZRCWHREWZBEF-QGZVFWFLSA-N 388.533 3.889 0 40 GHAB Cc1ccc(-n2nccc2-c2nc(C(=O)N[C@H](C)C(C)C)c3cnccn23)cc1 306123858 AYOPYWAXJKXJCS-MRXNPFEDSA-N 388.475 3.665 0 40 GHAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2CN(Cc3cccs3)C[C@@H]21 306129651 IJABNFHYUIHZCY-QUCCMNQESA-N 382.510 3.565 0 40 GHAB CN1CCN(Cc2cccs2)C[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 306130812 JQBCPRSSFGETGL-OAQYLSRUSA-N 389.528 3.947 0 40 GHAB Cc1cccc(CN2C[C@@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@H]3C2)n1 306133909 MZDDKSFCEUBXRX-NQIIRXRSSA-N 396.537 3.874 0 40 GHAB CS(=O)(=O)c1ccccc1CNC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 572343333 OLCOXPHMIFGYRM-WOJBJXKFSA-N 396.512 3.620 0 40 GHAB COc1cc(CN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc(OC)c1 585289902 WVIFMDLCUOVASQ-PWRODBHTSA-N 391.895 3.808 0 40 GHAB Cc1noc([C@H]2CN(C(=O)Nc3cc(-c4cccnc4)ccc3C)C[C@@H](C)O2)n1 626547668 RWECOVULVQBOOW-AUUYWEPGSA-N 393.447 3.742 0 40 GHAB COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)N2CC[C@@]3(O)C[C@H]3C2)c1 664216298 GOLLULJTCBDXEY-ODGPQVTHSA-N 394.515 3.762 0 40 GHAB O=S(=O)(NCC(c1ccco1)c1ccco1)c1ccccc1Br 667407087 YKJMFTNEXFIISQ-UHFFFAOYSA-N 396.262 3.746 0 40 GHAB Cc1nnc(-c2ccc(C(=O)N(c3ccccc3)C3CCN(C)CC3)cc2)o1 675214155 PIZGIMXMPIEFJD-UHFFFAOYSA-N 376.460 3.786 0 40 GHAB O=C(NC1CC2(C1)CC2(F)F)c1cc(-c2ccc(Br)cc2)[nH]n1 1118829863 QDVAKJMGZVDNMR-UHFFFAOYSA-N 382.208 3.757 0 40 GHAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)Cc3ccccc3Cl)CC2)n1 1775995465 XFJWGXYISVEHBO-UHFFFAOYSA-N 387.911 3.600 0 40 GHAB O=C(c1ccc2nccnc2c1)N1CCC(COc2ccncc2Cl)CC1 1889217660 RTNHLINAGOLTNX-UHFFFAOYSA-N 382.851 3.609 0 40 GHAB COC(=O)C1CCN(C(=O)c2ccc3nc(-n4c(C)ccc4C)sc3c2)CC1 9054094 BYFBWVLAHTVXFS-UHFFFAOYSA-N 397.500 3.729 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N1CCCC1 905644 WVHJWSQDWODRFP-UHFFFAOYSA-N 399.903 3.754 0 40 GHAB CCOC(=O)c1ccc2nc(NS(=O)(=O)c3ccc(C)cc3)sc2c1 911815 KBMOJNFTVZUTNS-UHFFFAOYSA-N 376.459 3.582 0 40 GHAB CCCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccco1 1364400 OMMWTIGZUCHSDZ-UHFFFAOYSA-N 377.495 3.752 0 40 GHAB CC(C)N1CC2(c3ccccc3)CN(C(C)C)CC(c3ccccc3)(C1)C2=O 4181089 IWVMRXYRDSAPBR-UHFFFAOYSA-N 376.544 3.880 0 40 GHAB CCc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1-n1cccc1 4518513 NRXLPJYZBHYPQS-UHFFFAOYSA-N 396.303 3.991 0 40 GHAB CC1CCN(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 4935725 FDPIKVUMSWAMQG-UHFFFAOYSA-N 390.471 3.590 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 4942732 SWPHSLSORPMUSS-UHFFFAOYSA-N 394.456 3.514 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1 6561377 FGHRROMNLSQASQ-GOSISDBHSA-N 397.456 3.868 0 40 GHAB CCOc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(F)cc23)ccc1F 1430065 ZXCMTDNBCRJCSQ-UHFFFAOYSA-N 394.443 3.674 0 40 GHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 8040850 BYFBTMDDQJCNTP-GOSISDBHSA-N 399.878 3.934 0 40 GHAB CCOC(=O)C1=C(C)NC(=S)N(C(=O)c2ccccc2)[C@H]1c1ccccc1 1406519 FUUAFDKIIYGVOH-SFHVURJKSA-N 380.469 3.595 0 40 GHAB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)cc2)cc1 8433453 UOXCSNCFRRZUTE-UHFFFAOYSA-N 398.459 3.684 0 40 GHAB O=C(NC1CCCCCCC1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3293748 OSMXVPOFHQAVPX-UHFFFAOYSA-N 397.496 3.907 0 40 GHAB Cc1ccccc1CC(=O)N1CCN(Cc2csc(-c3ccoc3)n2)CC1 108362624 SQXLNYWRKVUYIZ-UHFFFAOYSA-N 381.501 3.598 0 40 GHAB C[C@H](Sc1nc2ncccn2n1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 10074196 JQAOXKDNCAJNSG-ZJUUUORDSA-N 396.303 3.789 0 40 GHAB COc1ccc(C2=NN=C3SC[C@H](c4ccc(Cl)cc4)N=C3C2=O)cc1 27546485 WESJBBWRFLSXRR-OAHLLOKOSA-N 383.860 3.963 0 40 GHAB O=C(Nc1cccnc1)c1cccn1-c1cccc(I)c1 58255262 KORAIDNIEWRYJP-UHFFFAOYSA-N 389.196 3.729 0 40 GHAB NC(=O)c1ccsc1NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 3378077 HCMMVWDEQUMIOC-UHFFFAOYSA-N 393.490 3.840 0 40 GHAB COc1cc2c(cc1OC)CN(CCOc1ccc(Br)cc1)CC2 2213521 KHEXYKYQLUNDEL-UHFFFAOYSA-N 392.293 3.903 0 40 GHAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2Cl)C1=O 3376866 XZTVXOQYBVARIY-UHFFFAOYSA-N 386.279 3.823 0 40 GHAB Cc1nn(C)c(C)c1CCC(=O)NCc1ccccc1CN1C[C@@H](C)C[C@@H](C)C1 48331575 RTSLENBSLWHMBZ-HDICACEKSA-N 396.579 3.764 0 40 GHAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2C)c(Cl)c1 2359446 QAGURJWNNLTYKT-UHFFFAOYSA-N 387.896 3.878 0 40 GHAB COc1cccc(-c2noc3nc(C)cc(C(=O)Nc4cc(C)n(C)n4)c23)c1 36619116 FREGBYGOWPKRKC-UHFFFAOYSA-N 377.404 3.501 0 40 GHAB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 2405191 WNQPVEGSZDFRIL-IBGZPJMESA-N 396.874 3.943 0 40 GHAB CCc1sc(C(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1C 60035045 MLPXCYQYSXSZST-CYBMUJFWSA-N 387.423 3.807 0 40 GHAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3ccccc3c2)cc1C 2617350 HRXTVWBVGROQFM-UHFFFAOYSA-N 382.485 3.764 0 40 GHAB CCc1ccc(-c2n[nH]c(SCC(=O)N3CCc4ccccc4C3)n2)cc1 3551272 NTEJEVBWHAWFBI-UHFFFAOYSA-N 378.501 3.711 0 40 GHAB CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 3593711 CNQIVEHWJKXOSL-OAQYLSRUSA-N 399.878 3.869 0 40 GHAB CCc1ccc([C@H](CNC(=O)/C=C/c2cnn(-c3ccccc3)c2)N(C)C)cc1 29931172 BYRQYNHCXOMIRF-UXZSZYKQSA-N 388.515 3.867 0 40 GHAB C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1ccc2c(c1)OCO2 3500561 DIKDVHICULJUGW-JTQLQIEISA-N 396.226 3.584 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(Cc2ccccc2F)CC1 12910928 HSUWYTINZIGHBD-UHFFFAOYSA-N 381.426 3.779 0 40 GHAB Cc1nc(-c2ccc(NC(=O)CCNC(=O)NCc3ccccc3)cc2)cs1 12997827 BWFZSNPBEROASY-UHFFFAOYSA-N 394.500 3.947 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)C1(n2cnnn2)CCCCC1 49551203 YXNBLVQYOHQTCI-UHFFFAOYSA-N 389.503 3.671 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 5042900 AHDLEHNSDIJWDR-OXQOHEQNSA-N 379.456 3.769 0 40 GHAB CCc1cccc(NC(=O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)c1 9321096 NYMWDJBLLLHNFE-UHFFFAOYSA-N 386.455 3.673 0 40 GHAB O=c1/c(=C/c2cccs2)sc2nc(-c3ccc(Cl)cc3Cl)nn12 6243111 UWUZFPSGGQFIDK-GHXNOFRVSA-N 380.281 3.734 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(Cl)s2)ccc1-n1cccc1C(=O)O 65474409 CGVWEQVVTOZSTO-UHFFFAOYSA-N 396.877 4.000 0 40 GHAB COc1cc(CNCc2csc(C(C)(C)C)n2)ccc1OCCN(C)C 65980246 DEFINGLGSDGPPO-UHFFFAOYSA-N 377.554 3.679 0 40 GHAB Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1 4698782 AFKMTUVJIVATBV-LICLKQGHSA-N 383.425 3.695 0 40 GHAB CC[C@@H](C)NC(=O)COc1cc2c(c3oc(=O)c(C)c(C)c13)CCC(C)(C)O2 6623899 FKFJDZLCTABVJC-GFCCVEGCSA-N 387.476 3.807 0 40 GHAB biogenic O=C(Nc1ccc2c(c1)CCC2)c1ccccc1S(=O)(=O)N1CCCCC1 14664953 FOCKDFYIDVWHIT-UHFFFAOYSA-N 384.501 3.602 0 40 GHAB COC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 14896203 TWLQKUCYLWNFRD-UHFFFAOYSA-N 385.807 3.748 0 40 GHAB CCN(C(=O)c1cc2c(=O)n3ccccc3nc2s1)c1ccc(OC)cc1 6757817 AOMNMEJFVIZINF-UHFFFAOYSA-N 379.441 3.585 0 40 GHAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)cc1C 4845656 WDARZPJHBLDVNX-JWWGGVBKSA-N 386.451 3.867 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(C)cc1)S2 6811787 PYQLDQLNCLLYPZ-ROUUACIJSA-N 379.489 3.547 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3nc4c(s3)CCCC4)CC2=O)cc1Cl 4975654 RJQFCRUYZVCEEN-GFCCVEGCSA-N 389.908 3.975 0 40 GHAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccccc2C)c1 67246373 PLDNKMCPAILLCN-UHFFFAOYSA-N 376.460 3.859 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)N(CCN(C)C)Cc1ccccc1F 71972636 RNVAMCZZIOWSLE-UHFFFAOYSA-N 384.904 3.540 0 40 GHAB Cc1ccc(C)c(NC(=O)CN(C)CC(=O)Nc2ccccc2C(F)(F)F)c1 8132346 JCMZCJCCIHLFGF-UHFFFAOYSA-N 393.409 3.831 0 40 GHAB CCOc1ccc(Br)cc1C(=O)Nc1ccc(OCC(=O)O)cc1 8189227 OMPKSPULFUYFDV-UHFFFAOYSA-N 394.221 3.564 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1 9875520 DEYAYQQTIPDLLC-JOCHJYFZSA-N 377.488 3.872 0 40 GHAB CC(C)CC(=O)N1CCCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 95948952 FTPPUTBVJLWQQW-UHFFFAOYSA-N 380.414 3.733 0 40 GHAB Cc1cccc(C(=O)N[C@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C(C)C)c1 9900516 AVYZUMCBQMJMEJ-QFIPXVFZSA-N 389.499 3.816 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2N1Cc1ccccn1 306137537 QZFIHNGFOKFXDX-SFTDATJTSA-N 392.890 3.618 0 40 GHAB O=C(CCSc1ccccc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 21600673 SPIFBUZRGQUPDV-MRXNPFEDSA-N 384.501 3.716 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1ccc(F)c(F)c1F 409312276 KIEHTNHJKJKLIF-IZZDOVSWSA-N 398.387 3.840 0 40 GHAB COc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1OC 408573280 ANXWZIHQVOJZLL-UHFFFAOYSA-N 396.487 3.901 0 40 GHAB O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 306124813 CAAXBWUSVDOEJC-WIYYLYMNSA-N 383.444 3.841 0 40 GHAB O=C(NCCN1CCC1)c1ccccc1Oc1cccc(Br)c1 505418268 ZWDXMCWOUYIFFE-UHFFFAOYSA-N 375.266 3.677 0 40 GHAB c1cc2c(cc1SCc1nc(-c3ccc4c(c3)OCO4)no1)OCCCO2 524214886 IEICARNEKVHEIP-UHFFFAOYSA-N 384.413 3.919 0 40 GHAB CCNCc1cc(Cl)c(OCC(=O)NCCc2ccccc2)c(OCC)c1 36612295 SWUVHKSBSRFURG-UHFFFAOYSA-N 390.911 3.586 0 40 GHAB O=C(CN1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)Nc1nccs1 72357696 YIJVMMKQPQPHQC-LJQANCHMSA-N 378.501 3.905 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 224655005 QEHAOMIRFNQONI-LJQANCHMSA-N 382.504 3.789 0 40 GHAB COC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222963746 RKEMXFMZTQQEGV-HNNXBMFYSA-N 387.501 3.533 0 40 GHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc21 225709231 BSFIPTJRECYRMS-UHFFFAOYSA-N 384.429 3.723 0 40 GHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccc(F)cc1 223892238 YVBGQUGJKJJQTD-MOSHPQCFSA-N 378.403 3.814 0 40 GHAB COc1ccc([C@H](C)NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 224432345 SHNTUGGJRQRIIK-AWEZNQCLSA-N 375.490 3.622 0 40 GHAB Cc1cccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c1C 225950471 JIOYHBVLLWQFKN-QGZVFWFLSA-N 380.897 3.576 0 40 GHAB CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1)c1ccc(C)c(C)c1 222485338 ZKEBNUAOOZPVSR-LJQANCHMSA-N 388.533 3.889 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)c1 224828272 GNRABOZJACTRSP-MOPGFXCFSA-N 380.473 3.604 0 40 GHAB O=C(CSc1nccnc1N1CCCCC1)NCCc1ccc(Cl)cc1 90610142 ILGWFNQWEVWWHG-UHFFFAOYSA-N 390.940 3.571 0 40 GHAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21 96241946 OJDDQRZRSXYDJF-SFHVURJKSA-N 380.488 3.856 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1OC 243330103 LOIQQFIJWHICQQ-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB Cn1nccc1CNCc1c(Br)cc(F)c(F)c1N1CCCCC1 585138603 MAIQVUBSTXNFNB-UHFFFAOYSA-N 399.283 3.741 0 40 GHAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)N[C@H](C)CO)CCOCC3)cc2)c1 257201188 AGRMJEUGVATCEK-LJQANCHMSA-N 381.516 3.807 0 40 GHAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)c1ccc(C(F)(F)F)nc1 253402367 OEBKWAFTBPLQLI-MRXNPFEDSA-N 398.431 3.889 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)C1 257296520 RDEPUWQJWMJRGU-RWQYYWNISA-N 395.547 3.869 0 40 GHAB CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCN(Cc3cccc(F)c3)C2)nc1C 257221773 DQLHULWJYLQYQI-IBGZPJMESA-N 398.526 3.633 0 40 GHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@H]1CCCO1 260772109 MLQXEHAAZLEJJB-NSISKUIASA-N 384.549 3.691 0 40 GHAB CCN(Cc1occc1C)C(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 616297123 CAJTWHRYWMQHDI-UHFFFAOYSA-N 381.354 3.868 0 40 GHAB C[C@H](NC(=O)N=c1[nH]nc([C@@H]2CCCO2)s1)c1cccc(C(F)(F)F)c1 640740373 SJRLQQQJEMWSKU-CABZTGNLSA-N 386.399 3.713 0 40 GHAB C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cc(-n2ccc3ccccc32)ncn1 90614294 NDBIJDSGVTZVIU-CQSZACIVSA-N 376.391 3.966 0 40 GHAB O=C(NC[C@]1(O)CCc2ccccc2C1)NC(c1ccccc1)c1ccccc1 90611615 GRQKGQNRYQVKJU-VWLOTQADSA-N 386.495 3.995 0 40 GHAB CS[C@H]1C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 96308775 RFNREFSUPGGKAM-DJJJIMSYSA-N 383.469 3.826 0 40 GHAB Nn1cc(-c2ccccc2)nc1S[C@H](C(=O)N1CCCC1)c1ccccc1 5185368 JXLXHNQBCRNXPD-IBGZPJMESA-N 378.501 3.720 0 40 GHAB CN(C)c1ccc(CC(=O)N[C@@H](Cc2ccccc2)c2n[nH]c3ncccc23)cc1 12088243 CZPMIVSJQOBMGE-NRFANRHFSA-N 399.498 3.667 0 40 GHAB O=C(CCc1ccccc1)N1CCC[C@H](c2nc(O)cc(-c3ccncc3)n2)C1 12256838 KNJRLJROCRZKQT-IBGZPJMESA-N 388.471 3.583 0 40 GHAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCC(Cc4ccccc4)CC3)ccc21 12326493 XPAIBSGIZFUMQR-VWLOTQADSA-N 392.543 3.974 0 40 GHAB Cc1ccc(CC(=O)N2CCC[C@H](c3nc(O)cc(-c4ccncc4)n3)C2)cc1 13227047 MHMPZIHQYATXAS-IBGZPJMESA-N 388.471 3.501 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCc2ccccc21 13596228 DWZCUGPFGQCVRQ-UHFFFAOYSA-N 398.528 3.763 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O 13715199 GPVZUWOOZMBWMW-INIZCTEOSA-N 384.860 3.662 0 40 GHAB CCN(CC)CCCNc1nc2sc3c(c2c2nc(C)nn12)C[C@H](C)CC3 13725223 XXBPZOJPHGBGPT-CYBMUJFWSA-N 386.569 3.916 0 40 GHAB COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 17917382 ZPVURIDIJHOSHB-UHFFFAOYSA-N 388.470 3.810 0 40 GHAB Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)C3CCC3)CCNC2=O)cc1 19212833 XNKXHHRETIIPME-NRFANRHFSA-N 376.500 3.579 0 40 GHAB CC(=O)Nc1ccc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1 19453631 WJKRZEXNOVLQPR-UHFFFAOYSA-N 393.535 3.717 0 40 GHAB CCCN1CCN(CC2CC2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19503051 SOKLGGDRXFGFLN-HSZRJFAPSA-N 377.532 3.872 0 40 GHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)C2CC2)C1 19591002 UEKKOJKZPOFEJD-XMMPIXPASA-N 394.490 3.800 0 40 GHAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc21 19678465 JMDMYYFIFZSYNR-UHFFFAOYSA-N 398.406 3.670 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)cc1 19932797 SENSPGJBZVWRRO-DNVCBOLYSA-N 392.496 3.556 0 40 GHAB COc1ccc(/C=C\C(=O)OCCOC(=O)/C=C/c2ccc(OC)cc2)cc1 4537955 IMOSGDDWXALCOH-MFUUIURDSA-N 382.412 3.517 0 40 GHAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(OCC(=O)O)cc3)C2=O)c1 6478733 AHTSSPGXCFLCCQ-LICLKQGHSA-N 383.425 3.695 0 40 GHAB O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCN(c2ccccc2)CC1 4455915 RQBXUGLLDGXRCE-UHFFFAOYSA-N 394.496 3.990 0 40 GHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)cc1 6613614 MKTNBRUJDSXVRG-UHFFFAOYSA-N 393.262 3.583 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCSCC1)NC12CC3CC(CC(C3)C1)C2 244947562 DMFTXRDEANJMMN-IGDKPHCXSA-N 389.565 3.638 0 40 GHAB COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C[C@@H](C)CC(=O)O 579494784 BFPWGQZHYVTIQG-BXUZGUMPSA-N 384.270 3.622 0 40 GHAB O=C(N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1)C12CC3CC(CC(C3)C1)C2 390828384 AVPMWJVZZULDLO-BUMILGAPSA-N 387.545 3.591 0 40 GHAB Cc1ccc(N(C(=O)C2C3CC4CC(C3)CC2C4)[C@H]2C=CS(=O)(=O)C2)cc1 2725730 MSCPFUBDWAGHDU-PIIHOCENSA-N 385.529 3.711 0 40 GHAB COc1ccc(F)cc1CN1CCN(CC(=O)c2c(C)[nH]c3ccccc23)CC1 22816563 JMJKKZVFSUFTDN-UHFFFAOYSA-N 395.478 3.625 0 40 GHAB Cc1cc(=O)c(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)nn1-c1ccccc1Cl 23431712 BXKJJIZGZVKLSU-JKSUJKDBSA-N 385.895 3.847 0 40 GHAB CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccccc3)N2C1=O 2964647 REIIPDUTYAYIOY-GOSISDBHSA-N 377.469 3.917 0 40 GHAB COc1ccc(C(=O)N(CCCN(C)C)c2nc3c(OC)cccc3s2)cc1 4359737 KJZBAQJBQMLLCK-UHFFFAOYSA-N 399.516 3.912 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C(=O)Nc1ccccc1 4375215 BXOFJKPLLOUJJY-UHFFFAOYSA-N 383.448 3.555 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1cc(Cl)cc(Cl)c1 5189596 JGQYCHYZCKOKAE-UHFFFAOYSA-N 376.236 3.935 0 40 GHAB CCCC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 5136665 TWKHNSBSGJKCSN-UHFFFAOYSA-N 376.453 3.706 0 40 GHAB O=c1c2cccnc2n(Cc2ccc(Cl)cc2)c(=O)n1CCc1ccccc1 6805139 QWVIDSSTRABXJT-UHFFFAOYSA-N 391.858 3.503 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)N1CCCC1 8900256 NDOMTVNWCOYFIX-KRWDZBQOSA-N 384.954 3.658 0 40 GHAB Cc1cccc(-c2noc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)c1 17135523 UCSSIDFKXZMOAS-UHFFFAOYSA-N 383.473 3.613 0 40 GHAB CCc1ccc(N2C(=O)[C@@H]3N=NN(c4cccc(C(F)(F)F)c4)[C@H]3C2=O)cc1 23125717 AVCPPPGGYBEPEZ-HZPDHXFCSA-N 388.349 3.766 0 40 GHAB COc1ccc([C@@H]2CCCCN(S(=O)(=O)c3c(F)cccc3F)C2)cc1 206887769 ZVNJRYICNXRGSY-OAHLLOKOSA-N 381.444 3.932 0 40 GHAB CS(=O)(=O)Cc1cccc(C(=O)NCC2(c3ccccc3)CCCCC2)c1 40082657 SSUVVINADPHYAQ-UHFFFAOYSA-N 385.529 3.863 0 40 GHAB C[C@H](SCC(=O)Nc1ccc(-n2cccn2)nc1)c1nc2ccccc2[nH]1 40062770 HRKINLROJRQENI-ZDUSSCGKSA-N 378.461 3.577 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)ccc12 50179097 VKJPLDMSBFTFRW-GOSISDBHSA-N 393.443 3.710 0 40 GHAB C[C@@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)N(C)c1ccccc1 40108899 ZOUFQQFBZODBNB-SFHVURJKSA-N 375.472 3.915 0 40 GHAB CC(=O)c1ccccc1OCCOC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 32776468 XLSNGTUCYMAUOD-NRFANRHFSA-N 393.439 3.775 0 40 GHAB C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1cccc2ccccc12 102909248 OYSNCLCQGAKQEO-RYGJVYDSSA-N 378.472 3.582 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc1 862195 YVFNWFNIVGXMFI-UHFFFAOYSA-N 388.880 3.875 0 40 GHAB aggregator O=C(Nc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 796871 QLYGPGCVOBDNES-ZDUSSCGKSA-N 396.871 3.519 0 40 GHAB CCOC(=O)c1cccc(NC(=O)CSc2nc3ccccc3n2CC)c1 885387 IILZJMROMBRJNG-UHFFFAOYSA-N 383.473 3.964 0 40 GHAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1cccnc1 901859 YIVMGGCYLPTFKG-UHFFFAOYSA-N 394.378 3.559 0 40 GHAB COc1ccc(N2C(=O)c3ccc(C(=O)N4CCCCCC4)cc3C2=O)cc1 1090432 ZDVFHFDQPDOPSK-UHFFFAOYSA-N 378.428 3.512 0 40 GHAB COc1ccc(Oc2c(C)oc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 2206104 YXUWUXHMDDQJQV-UHFFFAOYSA-N 398.367 3.753 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCc2c[nH]c3ccccc23)c1C 2634406 ZKBOPVGKQOYAJK-UHFFFAOYSA-N 396.443 3.648 0 40 GHAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N1CCCCCC1 2779568 RQWXZOMZKQJTQY-SNVBAGLBSA-N 382.224 3.936 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(F)c2)ccc1OC(F)F 3244218 RBXCADYBXGXISC-SOFGYWHQSA-N 395.333 3.631 0 40 GHAB Cc1cc2nnc(SCC(=O)N3CCc4ccccc4C3)n2c2ccccc12 3246364 ZXHULTSJGLWSIL-UHFFFAOYSA-N 388.496 3.868 0 40 GHAB Cc1noc(C)c1COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 3448564 KRNTUOLWWNUTIO-UHFFFAOYSA-N 376.840 3.540 0 40 GHAB COc1cccc(-c2noc(CCCC(=O)Nc3ccc(NC(C)=O)cc3)n2)c1 4433206 HETDPQFKCSQBMI-UHFFFAOYSA-N 394.431 3.665 0 40 GHAB O=C(Nc1nc2ccccc2s1)c1c(O)c2c(n(C3CC3)c1=O)CCCC2 4487154 IIDRYPDANAIOEW-UHFFFAOYSA-N 381.457 3.630 0 40 GHAB C[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCCC2 4667891 AWIMMPMZTLQNIH-MRXNPFEDSA-N 390.483 3.819 0 40 GHAB Cc1sc2nc(C(C)C)n3c(SCC(=O)N4CCCC4)nnc3c2c1C 4848142 GBASYFHYYUMBBO-UHFFFAOYSA-N 389.550 3.794 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1CC(C)C 4860840 QPTZQENNUAYTPX-UHFFFAOYSA-N 377.495 3.690 0 40 GHAB O=c1cc(Cn2cnc3ccc(Cl)cc3c2=O)c2cc3c(cc2o1)CCC3 5084463 UHCBEGQEKXOZGR-UHFFFAOYSA-N 378.815 3.693 0 40 GHAB O=C(NCCc1csc2nc(-c3cccs3)nn12)c1ccc(F)c(F)c1 5166228 IPNPQKRWOVFJFV-UHFFFAOYSA-N 390.440 3.770 0 40 GHAB CC(C)C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 5375253 VCCARBFCFQLZKO-UHFFFAOYSA-N 376.453 3.562 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)c1cccc(I)c1 5510808 TXTDRZMXOBTOLQ-LLVKDONJSA-N 381.213 3.791 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 5967453 DXLQCQLJQREYDY-UHFFFAOYSA-N 398.488 3.877 0 40 GHAB CCN(CC(=O)NCc1cccs1)c1ncnc2sc3c(c12)CCCC3 6082796 SIJOMJGCIVATLN-UHFFFAOYSA-N 386.546 3.774 0 40 GHAB COc1ccc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 6219430 OJILBDVZQKOUNQ-UHFFFAOYSA-N 387.486 3.857 0 40 GHAB COC(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 6364585 IDDHVDCBBDNDPQ-QFBILLFUSA-N 390.524 3.869 0 40 GHAB Cc1ccsc1CN1CCC(C(=O)N(CCN(C)C)Cc2ccccc2)CC1 6452117 CZGMUTYAZIIIMY-UHFFFAOYSA-N 399.604 3.859 0 40 GHAB COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NC4CC4)ccc23)cc1 6623800 NYSWMDVOIOZBRW-ZDUSSCGKSA-N 379.412 3.515 0 40 GHAB biogenic O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680742 XSIWNBUJWKUWHH-UHFFFAOYSA-N 382.482 3.704 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 6849880 KONMGZMHVWTXNQ-UHFFFAOYSA-N 397.818 3.924 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(NCc3ccco3)s2)c1C 7161688 GQBQBKOTQIIVHX-UHFFFAOYSA-N 390.490 3.866 0 40 GHAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1C 7790653 NUAXOQBUJLVRRD-UHFFFAOYSA-N 391.423 3.917 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 7964763 YRHRBWXGEDPFOQ-VQIMIIECSA-N 379.460 3.571 0 40 GHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1cccc(F)c1 7981630 LIYFKJHMRYSEFN-UHFFFAOYSA-N 387.842 3.697 0 40 GHAB CCc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 8088118 MIINTEVFGHHMKN-UHFFFAOYSA-N 388.533 3.755 0 40 GHAB O=C1CCc2cc(C(=O)COC(=O)C3(c4ccccc4)CCCC3)ccc2N1 8574054 HBLCZSSKMDOLMZ-UHFFFAOYSA-N 377.440 3.809 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)cc1 9095004 AVAJXRIXCFGJDF-UHFFFAOYSA-N 397.456 3.533 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)o2)cc1 9199147 OTLBETNDNJRCRA-UHFFFAOYSA-N 381.457 3.902 0 40 GHAB Cc1ccc(N(CCCC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1C 10332834 IMJHOHMHAFMNOF-UHFFFAOYSA-N 392.565 3.856 0 40 GHAB COc1ccccc1CNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10516636 LVRIRKFTRCXNDQ-UHFFFAOYSA-N 388.471 3.757 0 40 GHAB O=C(CCSc1nnnn1Cc1ccco1)Nc1c(Cl)cccc1Cl 11364136 CWDAVKVTVBQURD-UHFFFAOYSA-N 398.275 3.742 0 40 GHAB O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 12089234 FRVOJLFGVAITKY-MOPGFXCFSA-N 384.549 3.798 0 40 GHAB O=C(NCCN(Cc1ccc2c(c1)CCO2)Cc1ccccn1)c1cccs1 12147946 SQXABALCXQMJES-UHFFFAOYSA-N 393.512 3.510 0 40 GHAB COc1ccc2nc(CN3CCC(O)(c4ccccc4OC)CC3)ccc2c1 12293062 ZPMPKSSYDWMWKK-UHFFFAOYSA-N 378.472 3.736 0 40 GHAB COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4OC)c3)cn2n1 12441232 HEDMBADBSCRHJT-UHFFFAOYSA-N 388.427 3.974 0 40 GHAB O=C(CNc1ccc(Br)cc1)Nc1cc2c(cc1Cl)OCO2 12526707 YVVLCZYXOVZPLT-UHFFFAOYSA-N 383.629 3.882 0 40 GHAB COc1ccc(C(C)=O)cc1COC(=O)Cc1cc(Cl)c2c(c1)OCCO2 12961371 UMNDJCNUXYWJEX-UHFFFAOYSA-N 390.819 3.608 0 40 GHAB O=C(Cn1cnc2cc(-c3ccccc3)sc2c1=O)NCc1ccccc1F 12985865 KKDFDMLOGVXRRM-UHFFFAOYSA-N 393.443 3.581 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccccc1C 13568954 AQFMZMBEKVZDJQ-LLVKDONJSA-N 388.522 3.553 0 40 GHAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccccc3OCc3ccccc3)ccc21 13687339 VTFBQGYLCGWSTR-UHFFFAOYSA-N 387.439 3.708 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(F)cc1 14111775 RWHQICXOBDAXSA-HXUWFJFHSA-N 395.434 3.976 0 40 GHAB NC(=O)[C@@H](OC(=O)c1ccccc1SCc1cscn1)c1ccccc1 14253164 NWXDURAPXLIGCQ-KRWDZBQOSA-N 384.482 3.819 0 40 GHAB COc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc(OC)c1O 15016055 XNAPTDHIYFVBNE-XGICHPGQSA-N 376.206 3.665 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1CCCCCCC1 15080916 INDPYDJZDZRYSN-UHFFFAOYSA-N 378.538 3.622 0 40 GHAB COc1ccc(NCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1Cl 15294126 XQLFFCLCEBDFSA-UHFFFAOYSA-N 396.274 3.511 0 40 GHAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(C(F)(F)F)cc1Cl 15603894 AORXUCPYWCCGIY-UHFFFAOYSA-N 381.741 3.777 0 40 GHAB COc1ccc(C2(CNC(=O)COc3ccc(Cl)cc3)CCOCC2)cc1 16969023 MNIFTLORHJTQSO-UHFFFAOYSA-N 389.879 3.592 0 40 GHAB O=C1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)n2c(nc3ccccc32)N1 17076737 RLJZRGCFUOWYPO-ZDUSSCGKSA-N 375.215 3.865 0 40 GHAB Oc1ccc([C@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)cc1 19375349 WOSKBADZWMLPSZ-OAQYLSRUSA-N 375.476 3.642 0 40 GHAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)c1sc(C)nc1C)C2 19560182 YQSHMEXQUNTWLV-IBGZPJMESA-N 386.517 3.762 0 40 GHAB C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1nc(-c2cnn(C)c2)cs1 19661609 OEHNRZLBJYKCBD-JTQLQIEISA-N 396.394 3.968 0 40 GHAB CCn1cc(-c2cc(C(=O)N[C@@H](C)Cc3cn(C)c4ccc(F)cc34)no2)cn1 19719262 HBHUYPJVBZKFTH-ZDUSSCGKSA-N 395.438 3.550 0 40 GHAB Cc1nc([C@H]2CCCN2C(=O)C(C)(C)C)nc2c1CC(=O)N2Cc1ccccc1 19739981 QLOTVEDCAVSFKS-GOSISDBHSA-N 392.503 3.584 0 40 GHAB CCCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 19755619 IPQVBBNDOLXUGS-GOSISDBHSA-N 396.491 3.900 0 40 GHAB CC(C)CC(=O)N1CCC(Cc2ncncc2C(=O)Nc2ccc(F)cc2)CC1 19757108 QADXKSWEQMPPRT-UHFFFAOYSA-N 398.482 3.695 0 40 GHAB C[C@H]1CCC[C@H](N2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 19842028 ZEMFQGKVCPZJSG-RDJZCZTQSA-N 395.341 3.551 0 40 GHAB COc1cc(NC(=S)NC(=O)c2cccc(C)c2)ccc1-c1ccc(CO)o1 20151560 NCRMMLLPBYNARX-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 20610939 RSRSMZXKTAOELG-UHFFFAOYSA-N 378.457 3.838 0 40 GHAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(F)ccc1-n1cnnn1 20736359 OTVAHOMAEOHOPC-UHFFFAOYSA-N 385.708 3.726 0 40 GHAB O=C(NCCc1ccccc1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 21538806 CRHNGLOJMLNEEM-UHFFFAOYSA-N 392.528 3.780 0 40 GHAB C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2)c1ccccc1 21556419 RWPNBDJTHVYJOD-INIZCTEOSA-N 391.471 3.782 0 40 GHAB C[C@H]1c2ccsc2CCN1C(=O)CCCNC(=O)c1ccc(F)cc1F 21638732 SSGSKHCFYZVCHY-LBPRGKRZSA-N 378.444 3.682 0 40 GHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCc3sccc3C2)C1=O 22099348 AEAQLQCXDAAMEO-IBGZPJMESA-N 389.908 3.574 0 40 GHAB O=c1c2cnc(N3CCCCC3)nc2ccn1-c1ccc(CC(F)(F)F)cc1 22608835 LDOVLXJETOMYRU-UHFFFAOYSA-N 388.393 3.876 0 40 GHAB CC(C)[C@@H](NC(=O)CN1CCN(Cc2cccs2)CC1)c1ccc(F)cc1 22849044 LBQUKYVSFMOXKG-OAQYLSRUSA-N 389.540 3.518 0 40 GHAB O=C(Nc1cccc(N2CCCC2=O)c1)Nc1cccc(N2CCCC2=O)c1 25044783 SNKVFSRXRKSGHP-UHFFFAOYSA-N 378.432 3.584 0 40 GHAB CC[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccc(OC)cc1 25513227 AUBHWJDVEHJOPX-SFHVURJKSA-N 383.444 3.697 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3COc4ccccc4O3)s2)cc1 25678992 AXKQGGVRPAEKRN-MRXNPFEDSA-N 396.468 3.697 0 40 GHAB C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C[C@@H](C)O1 26361634 RFSRHNFXFWVGHZ-HZPDHXFCSA-N 392.499 3.516 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 29481473 HYNOHPCTUXMFLV-APWZRJJASA-N 382.435 3.551 0 40 GHAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)cc1 30806242 JTQWJFPHLHBMCB-UHFFFAOYSA-N 396.468 3.983 0 40 GHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 32866024 LNPPIIFSOILBPS-AWEZNQCLSA-N 381.432 3.839 0 40 GHAB CCOC(=O)[C@@H]1CCCN([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 36389739 SEOZXBYPFJRBGM-CTNGQTDRSA-N 380.488 3.950 0 40 GHAB O=C(Cc1ccccc1Cl)NCc1cc(-c2ccc3c(c2)OCCO3)on1 36662269 KVOKDNXZLRWBME-UHFFFAOYSA-N 384.819 3.625 0 40 GHAB COc1ccc(C(=O)OCc2coc(-c3cccs3)n2)c(OC)c1OC 39585122 FCNVYKUZEZIZPA-UHFFFAOYSA-N 375.402 3.786 0 40 GHAB Cc1cc(=O)oc2cc(OC(=O)c3cccnc3OCC(F)(F)F)ccc12 40069976 SUSGIJLSGMLQME-UHFFFAOYSA-N 379.290 3.657 0 40 GHAB C[C@H](NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccc(NC(=O)C2CC2)cc1 40088139 PBBXVLZJMCQQJS-RNODOKPDSA-N 395.434 3.545 0 40 GHAB COc1ccc(Cl)cc1CS(=O)(=O)CC(=O)N[C@@H](C)CCCC(C)C 40106174 FUQFMZAHYWDFGA-AWEZNQCLSA-N 389.945 3.594 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3Cc4ccc(C)cc4S3)C2)nc1 46819699 UQONUDWFYFJHCO-MJGOQNOKSA-N 395.528 3.593 0 40 GHAB O=C(CCCc1nnc(-c2ccccc2)o1)N1CCO[C@@H](c2ccccc2)C1 48286126 OEYJKRIXVWWKCA-LJQANCHMSA-N 377.444 3.659 0 40 GHAB CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 55767722 OTKSKHZJLXHQML-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB O=S(=O)(c1ccc(Cl)nc1)N(Cc1cccnc1)c1ccc(F)cc1 56123502 BDJVXBWJLPCDAV-UHFFFAOYSA-N 377.828 3.665 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1ccccc1Cl 57421400 QEBZYWQOUDPXSM-HZPDHXFCSA-N 387.911 3.751 0 40 GHAB O=C(NCCCc1ccccc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 58955287 QKAQJDUJGHDKRV-MRXNPFEDSA-N 390.405 3.807 0 40 GHAB Cc1cccc(-n2c(=O)c3sccc3n(Cc3ccc(F)c(F)c3)c2=O)c1 67258172 PNURMGCOWCFLGX-UHFFFAOYSA-N 384.407 3.849 0 40 GHAB CCc1nc(CN2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)no1 69252202 UGSRNISUZUBNPG-UHFFFAOYSA-N 377.448 3.834 0 40 GHAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 72345912 SDMYCXIDYACQBU-GOSISDBHSA-N 388.471 3.754 0 40 GHAB Cc1cnc(C(=O)N2CCC(c3nc(C)cc(Oc4ccccc4)n3)CC2)cn1 72362510 MTCQVTTVQMWZLN-UHFFFAOYSA-N 389.459 3.696 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@@H]2CCCCN2C(=O)c2nccn2C)n1 72384413 GYQGBRQBTHIKLK-KRWDZBQOSA-N 377.448 3.678 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(Cl)nc2SC)cc1 79054622 GXHIHMFBKQYJMP-GFCCVEGCSA-N 391.924 3.915 0 40 GHAB COc1ccccc1Oc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1 95067841 KQGHUSZNYWFNEM-UHFFFAOYSA-N 399.424 3.987 0 40 GHAB COCCn1ccc2c(NC(=O)CCCN3Cc4ccccc4C3=O)cccc21 95475040 TXMCDSYAAXVIQV-UHFFFAOYSA-N 391.471 3.662 0 40 GHAB CN1C(=O)c2cc(NC(=O)c3c(F)cccc3F)ccc2Oc2ncccc21 95477436 QQTHGSSAFPJBBP-UHFFFAOYSA-N 381.338 3.994 0 40 GHAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)C2CCCCC2)C1)c1ccccc1 95998707 JWJJUOYNACKXLD-GOSISDBHSA-N 380.492 3.948 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96103481 UMOUQWBKUOENQY-MRXNPFEDSA-N 388.876 3.510 0 40 GHAB COc1ccc(OC)c(CCN2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)c1 100720485 WWSGBYITWMDXNJ-INIZCTEOSA-N 387.863 3.518 0 40 GHAB CCOc1ccc([C@H]2C=C(c3ccc(OC)cc3OC)Nc3ncnn32)cc1 101027903 TUOSESIJUCDDKE-LJQANCHMSA-N 378.432 3.750 0 40 GHAB CCN1CCC[C@@H]1CN1CC(O)=C(c2nc(-c3ccc(OC)cc3)cs2)C1=N 102724093 QIBJJYXCRRJHLF-OAHLLOKOSA-N 398.532 3.865 0 40 GHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113970837 LNGHSMZYXBWAJW-JOCHJYFZSA-N 381.520 3.851 0 40 GHAB CSc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 115584331 SGFCGTYCZWMZQD-UHFFFAOYSA-N 395.893 3.590 0 40 GHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC)c(OC)c1OC 216418442 GGFWIGJCZSXHTM-QGZVFWFLSA-N 387.476 3.803 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219861183 KKQMFKZBRUTWCE-GOSISDBHSA-N 382.504 3.804 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 222490538 LNOLEOCPKNIUBT-AWEZNQCLSA-N 376.909 3.595 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 222850710 JIAGXUQYYRHHAE-NRFANRHFSA-N 382.504 3.570 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1 222902696 WDHNICCNIXQXSY-QFIPXVFZSA-N 380.532 3.994 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 223149422 NAIVDNZWCRRGTL-GOSISDBHSA-N 376.859 3.575 0 40 GHAB CN(C(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 224412850 GNFNCFXFEACDHV-UHFFFAOYSA-N 394.496 3.784 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 224846165 INDKLSLBBGJEHX-OAHLLOKOSA-N 390.886 3.965 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)c(C)c1 225060883 MWQMJMRFQSWGLM-HXUWFJFHSA-N 396.531 3.668 0 40 GHAB S=C(NCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc2c(c1)OCO2 225820545 DUEBEALIJALBKH-UHFFFAOYSA-N 388.836 3.605 0 40 GHAB NC(=O)c1cc(Cl)c2[nH]c(-c3ccc(I)cc3)nc2c1 226344608 QRRPBUVUSGQCIW-UHFFFAOYSA-N 397.603 3.587 0 40 GHAB Cc1ccc(Nc2ncnc3c2cnn3C2CCNCC2)c(Br)c1 228936302 VOZYDCCXVBQYSV-UHFFFAOYSA-N 387.285 3.565 0 40 GHAB O=C(CSc1ccc(F)cc1)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 238847705 ISIOXZKZVSVYJG-OAHLLOKOSA-N 383.448 3.984 0 40 GHAB O=C(Nc1ccc(F)c(F)c1F)c1cnc(OC2CCOCC2)c(Cl)c1 239846380 LCURXPKDKWDNPZ-UHFFFAOYSA-N 386.757 3.962 0 40 GHAB O=C(Nc1cc(CCC2CCN(C3CCOCC3)CC2)ccn1)c1ccccn1 257223433 DXIRCKSXUOIUGY-UHFFFAOYSA-N 394.519 3.553 0 40 GHAB Cn1nccc1CN1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 257230782 GDXNWXUHOCVSTA-NRFANRHFSA-N 382.895 3.633 0 40 GHAB Cc1n[nH]cc1C(=O)N1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 257306295 STSJSNPVEWLMHN-FQEVSTJZSA-N 396.878 3.571 0 40 GHAB CC1(C(=O)NCc2ccnc(OC(F)F)c2)CCN(Cc2ccccc2)CC1 501426492 UMQCNBOKBNZGMS-UHFFFAOYSA-N 389.446 3.602 0 40 GHAB CC[C@H](C)[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1nc2ccccc2[nH]1 519294180 JPSHHOVFBYETDT-NYHFZMIOSA-N 388.471 3.781 0 40 GHAB CCCNC(=O)c1ccc(NC(=O)c2csc(Nc3ccccn3)n2)cc1 522936479 HHELMJXENVKWRA-UHFFFAOYSA-N 381.461 3.674 0 40 GHAB C[C@H](NC(=O)Nc1ccc(-n2ncc3ccccc32)cc1)C1=CCN(C)CC1 542383275 ILDUZZKUDHJYFE-INIZCTEOSA-N 375.476 3.797 0 40 GHAB CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)c2ccc3sccc3c2)s1 560804053 PKVQQGWZHLZULP-MNOVXSKESA-N 388.518 3.708 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)Nc1ccccc1-c1cn2c(n1)CCCC2 575618509 BUVSJJFEJGMEMH-UHFFFAOYSA-N 390.443 3.937 0 40 GHAB O=C(NC[C@H](OCCO)c1ccsc1)NC(c1ccccc1)c1ccccc1 575621673 QSMHNFSOXVRQBC-FQEVSTJZSA-N 396.512 3.887 0 40 GHAB CCCN(C(=O)c1occ2c1CCOC2)C1CCN(C(=O)c2ccccc2)CC1 585081698 JGKLECRBLVSCBP-UHFFFAOYSA-N 396.487 3.509 0 40 GHAB C[C@H](c1ccccc1)n1cc(NC(=O)N2CCCC[C@@H]2c2cnn(C)c2)cn1 646448383 YLJMATCDWDJOFF-OXQOHEQNSA-N 378.480 3.985 0 40 GHAB CO[C@H](CS(=O)(=O)N(Cc1ccc(F)cc1F)C1CC1)c1ccc(F)cc1 1621666441 BOJWZXDUIJDTFP-LJQANCHMSA-N 399.434 3.786 0 40 GHAB O=C(Nc1c(F)cccc1F)N1CC[C@H](Oc2ccncc2Br)C1 1775972688 RBWMIALUZGGLRF-JTQLQIEISA-N 398.207 3.808 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)ccn3n2)cc1 12414405 QJPGJUDKPZCJOL-UHFFFAOYSA-N 392.846 3.764 0 40 GHAB CCOC(=O)c1ccsc1NC(=O)CN[C@@H](c1ccccc1)c1ccccn1 12521984 QFVJDJVXIJZLSG-IBGZPJMESA-N 395.484 3.638 0 40 GHAB C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc(Br)ccc2F)CC1 79353304 BOSCRVDACODZBC-ZDUSSCGKSA-N 392.272 3.502 0 40 GHAB CCCCNc1ccccc1C(=O)OCC(=O)Nc1cc(OC)ccc1OC 2622765 FALPYEMXALYKKM-UHFFFAOYSA-N 386.448 3.711 0 40 GHAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc(C(C)=O)c1C 3194518 NSHVIJWHVPFMSI-UHFFFAOYSA-N 381.475 3.545 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2cc(-c3ccco3)nc3ccccc23)CC1 24064378 FTXVTZHBGUTOFI-UHFFFAOYSA-N 393.443 3.846 0 40 GHAB COc1ccc2c(C)c(CC(=O)Nc3cccc4c3ccn4C)c(=O)oc2c1 62001496 QYZGBWYEMCBENZ-UHFFFAOYSA-N 376.412 3.783 0 40 GHAB biogenic Cc1ccc(-c2csc(=O)n2CC(=O)Nc2ccc(N3CCCC3)nc2)cc1 24114197 LYHXSHGLTFOPJG-UHFFFAOYSA-N 394.500 3.519 0 40 GHAB Cc1cc(C)cc(NC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)c1 4895322 VESOLRAUSROZDB-UHFFFAOYSA-N 377.492 3.632 0 40 GHAB COc1cc(C(=O)N[C@H](C)c2nc(-c3ccc(C)cc3)no2)cc(OC)c1OC 4998291 CIBDAFODOCUHBD-CYBMUJFWSA-N 397.431 3.562 0 40 GHAB Cc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c(C)c1 7881107 ZMMJKMIFQXQSAT-UHFFFAOYSA-N 386.517 3.957 0 40 GHAB Cc1nn2c(=O)cc(CN3CCc4sccc4[C@H]3c3ccccc3)nc2s1 43273083 ZSWLISIARJXAHF-LJQANCHMSA-N 394.525 3.669 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc(Cl)cc1Cl 3299929 YCXQUWAXURDUHC-UHFFFAOYSA-N 398.290 3.967 0 40 GHAB Cc1cc(C)nc(SCc2nc3nc(C)cc(C)n3c2Br)n1 1509737 RULWVCSONAUNIF-UHFFFAOYSA-N 378.299 3.808 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1514271 RQNGKDNYKFEWBP-NEPJUHHUSA-N 378.259 3.806 0 40 GHAB biogenic Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c(OC[C@@H]2CCCO2)c1 57363318 GFHTXCUHJSGWFA-HNNXBMFYSA-N 378.428 3.647 0 40 GHAB CC[C@H](CNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O)c1ccccc1 12778199 NNJAQVAGWYZFGJ-MRXNPFEDSA-N 379.435 3.604 0 40 GHAB NC(=O)N[C@@H](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1 12758687 XMVNHNPPPIGMJI-YADHBBJMSA-N 387.483 3.886 0 40 GHAB Cc1ccc(C)c(SCc2nc3sc(C(=O)N(C)C)c(C)c3c(=O)[nH]2)c1 12730991 CFSHVZCALTYILU-UHFFFAOYSA-N 387.530 3.904 0 40 GHAB O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccc(F)cc1Cl 27452736 VIAZENANCSACQZ-UHFFFAOYSA-N 376.815 3.733 0 40 GHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O 3346804 UYXPVHQKSSOPNW-NRFANRHFSA-N 399.878 3.753 0 40 GHAB COc1ccc(CN(C)C(=O)CSc2nnc(-c3cccs3)o2)cc1 3346245 OHXZILGLPITQFE-UHFFFAOYSA-N 375.475 3.557 0 40 GHAB CC(=O)c1ccc(N2CCN(Cc3nc(-c4ccccc4C)no3)CC2)c(F)c1 27553184 MATVGKQFUGNLKE-UHFFFAOYSA-N 394.450 3.709 0 40 GHAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 21004533 DSTYZSQPCSVNFZ-UHFFFAOYSA-N 375.428 3.663 0 40 GHAB Cc1ccc(C)c(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 102623752 KPCQDKSYDLLKTI-ZCLUNYJNSA-N 387.435 3.834 0 40 GHAB COc1ccc(N(C(=O)c2ccc(Cn3cncn3)cc2)[C@H](C)C2CC2)cc1 58370611 VMRNOEUVBNDSRW-MRXNPFEDSA-N 376.460 3.780 0 40 GHAB Cc1nc2ccc(C(=O)N3CCC([C@H](O)c4ccccc4)CC3)cc2nc1C 48333854 DAYLANPTZGYKPQ-JOCHJYFZSA-N 375.472 3.832 0 40 GHAB Cn1ccc(C(=O)N2[C@H]3CC[C@@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)n1 100112640 JIQHICKMYATYOC-RVSPLBMKSA-N 379.382 3.511 0 40 GHAB CCOC(=O)c1ccc(C(=O)c2ccc(I)cc2)cc1 2392613 OWEWJRULBDSWGD-UHFFFAOYSA-N 380.181 3.699 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 12819554 DMOLEYABUFZKDV-HNNXBMFYSA-N 381.906 3.710 0 40 GHAB O=C(CSCc1cc(Cl)c2c(c1)OCO2)N1CCC(c2ccccc2)=N1 45618348 BJPVBWHZXVXXFF-UHFFFAOYSA-N 388.876 3.939 0 40 GHAB Cc1ccccc1NC(=O)[C@H]1C(=O)N[C@]23CCCC[C@@H]2[C@@H]1c1ccccc1O3 100747719 SJGLYUNTUZHSCL-LLPLAXKASA-N 376.456 3.742 0 40 GHAB COCCn1c(S[C@@H](C)C(=O)N2CCc3ccccc3C2)nc2ccccc21 36795317 YLKRRIFNJYKEJH-INIZCTEOSA-N 395.528 3.748 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl 12864534 FPWGOKFXSPVIKF-IUODEOHRSA-N 386.323 3.559 0 40 GHAB CC(C)CCn1c(SCC(=O)N2CCC[C@@H](C)C2)nc2ccccc2c1=O 11829645 UXROSRKNCQOGAG-MRXNPFEDSA-N 387.549 3.793 0 40 GHAB COC(=O)C1CCN(C(=O)Cn2c(-c3ccc(C)cc3)csc2=S)CC1 2643905 GIOLMTIYSDZTRA-UHFFFAOYSA-N 390.530 3.666 0 40 GHAB COc1ccc(CCCC(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1 61135946 SRBWYTIBDRHNLC-UHFFFAOYSA-N 382.460 3.792 0 40 GHAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1ccccc1Br 27932922 FAAJYFKHMFVCBG-UHFFFAOYSA-N 390.203 3.793 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1cc(Cl)ccc1Cl 3592842 NQBNPPHLMPDDBY-UHFFFAOYSA-N 384.263 3.577 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c1C 12906370 AWEYGXPVXIYUFY-UHFFFAOYSA-N 397.544 3.986 0 40 GHAB COc1ccc(-c2nc(-n3cccc3)sc2C(=O)NCc2ccncc2)cc1 71280553 XUCVNWYHZBOODN-UHFFFAOYSA-N 390.468 3.934 0 40 GHAB CC1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(C(=O)O)c3)cc2)CC1 13183537 VONKQYICARPZBV-UHFFFAOYSA-N 392.452 3.561 0 40 GHAB O=c1cc(CSc2nnc(NC3CCCCC3)s2)nc2sccn12 6078694 AUVHGHHJONYERF-UHFFFAOYSA-N 379.536 3.644 0 40 GHAB COc1ccc(Cl)cc1NC(=S)N1CCN(c2ccc(O)cc2)CC1 6398487 MEUQXNNVBNLCOC-UHFFFAOYSA-N 377.897 3.573 0 40 GHAB COc1ccc(CNCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 14067858 HEWSGCFBHPZGFG-UHFFFAOYSA-N 379.460 3.547 0 40 GHAB CCOc1ccc([C@@H]2CCCN2CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 14182554 MGKDPMCXZYEEKX-XWFZLUIHSA-N 385.508 3.680 0 40 GHAB C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1nc2ccccc2c(=O)[nH]1 14251830 CEBDCNFDBMCQMR-LBPRGKRZSA-N 390.472 3.765 0 40 GHAB O=C(CN(C1CC1)[C@@H]1CCc2ccccc21)Nc1ccc(Br)cn1 65951599 OPDOOJGFUFXYGQ-QGZVFWFLSA-N 386.293 3.935 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(CC)cc3)ccc21 64947117 CXMRPSOSSUIMTQ-UHFFFAOYSA-N 376.503 3.836 0 40 GHAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 6608433 WEGACXAVQFTBDO-RUZDIDTESA-N 398.462 3.978 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc(-c3cccs3)n[nH]2)c1C 5996205 WWDMGKHBAGKXNO-UHFFFAOYSA-N 390.490 3.630 0 40 GHAB O=C(CSc1ccc(Cl)cc1)NCCNC(=O)c1ccc2ccccc2n1 9420762 DXPSHRJJWDRKSX-UHFFFAOYSA-N 399.903 3.527 0 40 GHAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 7371231 XWQIJKVQKLUGHD-AWEZNQCLSA-N 398.488 3.787 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 16088021 ZUXQAVWBBHTARC-NSHDSACASA-N 387.379 3.516 0 40 GHAB CN(CCOc1ccccc1F)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 16112766 JCNAOZNAGSVKTE-UHFFFAOYSA-N 399.466 3.607 0 40 GHAB CCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2ccccc2c1=O 8195325 PGCIVAFLIXPAOV-UHFFFAOYSA-N 397.500 3.854 0 40 GHAB CCc1cc2oc(=O)cc(CN3CCC[C@@H](C4OCCO4)C3)c2cc1Cl 69298870 WCAMZMJJTJNYAJ-CQSZACIVSA-N 377.868 3.594 0 40 GHAB COc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 8310359 DDASODWOWAUYTL-SFHVURJKSA-N 382.460 3.632 0 40 GHAB COc1ccc(CN2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 306143349 XZZHCGVZBOQQTL-FQEVSTJZSA-N 385.471 3.789 0 40 GHAB O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc2c(c1)OCCCO2 8313649 YYWZEQVMHYKNKH-LJQANCHMSA-N 393.892 3.931 0 40 GHAB CCOC(=O)Cn1c([C@@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 8845062 CNFXXKUCOUTXDT-QGZVFWFLSA-N 391.471 3.737 0 40 GHAB CCn1cnnc1CCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 72289937 VUYRCDBOSMGQBE-UHFFFAOYSA-N 381.427 3.773 0 40 GHAB COc1cc(Cl)c(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1OC 409045273 PFXXNVPOAIZUEI-DHDCSXOGSA-N 388.876 3.962 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2n2c(C)nnc12 64948978 AKDJJIFTVALJOC-UHFFFAOYSA-N 393.472 3.715 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1ccc(Cl)cc1 4324146 YRWMAFQKCRRNMK-UHFFFAOYSA-N 395.864 3.875 0 40 GHAB COc1ccc(S(=O)(=O)NCCC(C)C)cc1NC(=O)c1ccccc1C 408554569 CFFVMSZQXBPFFK-UHFFFAOYSA-N 390.505 3.580 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)c(C)s2)c1 409198452 GFEOQBYSKUFGFU-UHFFFAOYSA-N 382.441 3.923 0 40 GHAB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c2cccnc12 26070798 AGHYIXKDBLIXFA-LJQANCHMSA-N 375.428 3.913 0 40 GHAB COc1cc2c(cc1/C=C1\SC(=O)N(CCc3ccccc3)C1=O)OCO2 409007841 SRKVABGSMNHZLT-ZDLGFXPLSA-N 383.425 3.703 0 40 GHAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccncc3)cc2)cc1 409181270 AKDNBOZJDUZNEM-UHFFFAOYSA-N 375.380 3.649 0 40 GHAB CC(=O)N1CC2=C(C1=O)[C@H](c1cccc3cccnc13)c1c[nH]c3cccc(c13)N2 1547139703 YCTKVVOUJBEZFC-HXUWFJFHSA-N 394.434 3.916 0 40 GHAB biogenic C[C@H]1CCc2onc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)c2C1 72396293 YZFDQOZLZNIYKS-HNAYVOBHSA-N 390.487 3.852 0 40 GHAB Cc1nc(C)c([C@H](C)N(C)C(=O)C2CCN(C(=O)OCC(C)C)CC2)s1 78609448 SZQYWSDCULMPQW-AWEZNQCLSA-N 381.542 3.784 0 40 GHAB O=C(Cc1ccccc1Cl)Nc1nnc(-c2ccc(Br)o2)o1 38549009 VIGJENQEFUWSDT-UHFFFAOYSA-N 382.601 3.927 0 40 GHAB O=C(c1cccnc1)N1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 72378142 VLFSTYHMTPVDKE-INIZCTEOSA-N 396.878 3.709 0 40 GHAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 72378879 SHCSPQJEKXLNIX-GOSISDBHSA-N 375.476 3.806 0 40 GHAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)n1 72350380 MDRIHJPDCNQFQB-IBGZPJMESA-N 393.531 3.805 0 40 GHAB COCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 70666392 SSQWMEIREALGRY-FQEVSTJZSA-N 386.536 3.738 0 40 GHAB biogenic FC(F)COc1cc(-c2noc(-c3cc(Cc4ccccc4)[nH]n3)n2)ccn1 569271793 DZKLFWRRUBXGHN-UHFFFAOYSA-N 383.358 3.756 0 40 GHAB CC1CCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NC(C)C)n2)CC1 225888622 CEWNSYTUQSQOOS-INIZCTEOSA-N 390.601 3.787 0 40 GHAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(C(=O)N(C)C)cc1 225741647 NGVNDAYLYSLVNC-INIZCTEOSA-N 396.560 3.516 0 40 GHAB COc1ccccc1O[C@H](C)C(=O)NCc1ccccc1CN1CCCCC1 224840239 DYONZPPIRPMJCV-GOSISDBHSA-N 382.504 3.765 0 40 GHAB CC[C@@H](C(=O)N(C)C1CCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 44848134 SERQOZIJTQMICJ-IBGZPJMESA-N 380.554 3.639 0 40 GHAB Cc1ccc(-n2cc(C)cn2)c(NC(=O)Nc2c[nH]nc2-c2nccs2)c1 572087938 MBPSWNHBBSBQQN-UHFFFAOYSA-N 379.449 3.980 0 40 GHAB Cc1nccn1Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 225300074 DBIJSUSSRVCBMF-UHFFFAOYSA-N 387.443 3.562 0 40 GHAB CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)o2)cc1 49170224 WNUCGUAHCCCTJM-KRWDZBQOSA-N 392.459 3.521 0 40 GHAB biogenic,in-vitro CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 223725019 QCPANQVGUVFAID-CQSZACIVSA-N 376.859 3.575 0 40 GHAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 226916270 ONBUIYNTGMIXGT-SCCGJGJYSA-N 396.512 3.972 0 40 GHAB CCOc1ccc(C(=O)N2CCOCC2)cc1COc1cccc(Cl)c1 224492121 WNVNGELKWLBRHO-UHFFFAOYSA-N 375.852 3.790 0 40 GHAB CC(C)(C)OC(=O)N1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 91695139 ZPEQXYVZAIKMCW-UHFFFAOYSA-N 379.810 3.807 0 40 GHAB CC(C)c1ccc(S(=O)(=O)N2CC[C@]3(CCCN(c4ccccn4)C3)C2)cc1 96216780 OCYRTJAJEFPQLH-QFIPXVFZSA-N 399.560 3.886 0 40 GHAB CN(Cc1ccccn1)C(=O)c1ccc2nnc3ncn(C4CCCC4)c3c2c1 96264266 JCXNVMXABFQRAY-UHFFFAOYSA-N 386.459 3.762 0 40 GHAB O=S(=O)(CCOc1ccccc1F)Nc1ccc(Cc2ccncc2)cc1 96191828 SOBALDYXHVVMFS-UHFFFAOYSA-N 386.448 3.632 0 40 GHAB Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 243417433 MRRZPRPQIMMHCR-CQSZACIVSA-N 377.271 3.971 0 40 GHAB Cc1nc(C)c(CC(=O)N2CCC[C@@]3(C[C@@H](Oc4ccccc4)CO3)C2)s1 257225113 FEVVVIIHZWAMKP-WIYYLYMNSA-N 386.517 3.532 0 40 GHAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)CCc3ccccc3)[C@@H]1CCC[C@H](O)[C@@H]2O 257252821 JWFIVEDFVQMHAC-SBSLQGDRSA-N 393.527 3.873 0 40 GHAB Cc1cc(C)nc(Nc2ccc([C@@H]3CN(Cc4cnc(C)s4)CCO3)nc2)n1 257203156 AOWYLCXLNCPNIE-IBGZPJMESA-N 396.520 3.570 0 40 GHAB Cc1ccc(F)c(NC(=O)CN2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)c1 257248487 JDVYZFLWMUUXEC-GMAHTHKFSA-N 398.478 3.523 0 40 GHAB O=C1CCCN1CCC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 618964887 OLXIELWBQRVEEU-HXUWFJFHSA-N 388.920 3.888 0 40 GHAB O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CC[C@@H](c2ccc(O)cc2)C1 629665039 LWQSNIHYQFHJLB-APWZRJJASA-N 378.394 3.601 0 40 GHAB CC(=O)Nc1ccc(CN2CCC[C@](O)(COc3ccc(C)cc3)CC2)cc1 585271370 GJXRCUMUPXQMFF-HSZRJFAPSA-N 382.504 3.749 0 40 GHAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc(Cl)c(F)c1 585112707 UAYZISQLGAEXBN-IBGZPJMESA-N 399.853 3.768 0 40 GHAB Cc1ccncc1CC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 585107749 GPDUZSFLIZRTAV-NRFANRHFSA-N 387.474 3.943 0 40 GHAB COc1ccc(CN(Cc2ccncc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 72395068 HNMQIHSKPKQADJ-NFBKMPQASA-N 393.487 3.647 0 40 GHAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3cccc4cccnc34)C2)cc1 1615191552 RQJULTXUXQSRDU-HSZRJFAPSA-N 376.456 3.589 0 40 GHAB COc1ccc(NC2=N[C@H](c3ccc(Cl)cc3)n3c(nc(C)cc3=O)N2)cc1 5345902 RKPYHLMPMWOBBZ-SFHVURJKSA-N 395.850 3.654 0 40 GHAB CCCN1C(=O)c2ccc(OC)cc2N(CCCN(C)C)C(=O)c2ccccc21 5430867 VYURPJHOLULQSD-UHFFFAOYSA-N 395.503 3.664 0 40 GHAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1ccccc1)CCCS3 5451498 YXLKUDYPKKDRMK-UHFFFAOYSA-N 377.469 3.904 0 40 GHAB COc1ccccc1/C=C1\C(=O)N(CN2CCOCC2)c2cc(Cl)ccc21 13653642 DELHKDCNUVISRP-PDGQHHTCSA-N 384.863 3.526 0 40 GHAB Cc1cccc(C)c1Nc1noc2c1CN(C(=O)C[C@H](C)n1ccnc1)CC2 19235753 ZBBJSGWCLCRGOG-INIZCTEOSA-N 379.464 3.768 0 40 GHAB COc1ccc2nc(CN3C[C@@H]4[C@@H](CC[C@@]4(O)c4ncccc4C)C3)ccc2c1 19237735 TWHHKEJIUDVDPO-VNZMSGEBSA-N 389.499 3.676 0 40 GHAB CC(=O)N1CCc2nc([C@H]3CCCCN3C[C@H](C)c3ccccc3)ncc2C1 19456139 HJSUJDQVXKNDCS-HTAPYJJXSA-N 378.520 3.712 0 40 GHAB COc1cc(C)ccc1OCCNC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 19661082 FVIAMPXVVNQJLO-UHFFFAOYSA-N 393.365 3.708 0 40 GHAB CNc1cc(C(=O)N2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCCN3C)ccn1 19713060 JEEIWKQUSBPPGA-VSKRKVRLSA-N 392.547 3.824 0 40 GHAB Nc1c(Cl)cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl 18050239 SIDWKGBGPBSPIB-UHFFFAOYSA-N 389.260 3.538 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 5330121 AYVQZTKANLDXSW-UHFFFAOYSA-N 388.489 3.711 0 40 GHAB CCCN1C(=O)CCc2cc(NC(=O)c3ccc(OC)c(OC)c3OC)ccc21 9107175 VARMBPBXHZBXFT-UHFFFAOYSA-N 398.459 3.654 0 40 GHAB O=C(c1ccc(Br)o1)N1CCC(Cn2cnc3ccccc32)CC1 36708717 QQAPLXYKIRFBNQ-UHFFFAOYSA-N 388.265 3.944 0 40 GHAB COc1ccc(CCC(=O)NCCn2nc(C)c(-c3cccs3)c2C)cc1 575612851 MZEWAGOMJYKXJF-UHFFFAOYSA-N 383.517 3.986 0 40 GHAB CCN(C(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)c1ccccc1 100098700 NQHBZRVTDRYOET-USNOLKROSA-N 386.451 3.665 0 40 GHAB CCOc1ccccc1N1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1 40160357 ZCSZDLLEYHNVQA-UHFFFAOYSA-N 384.451 3.536 0 40 GHAB COc1ccc2c(CN3CCCN(Cc4ccc(F)cc4)C3)cc(=O)oc2c1 20274012 ACPUTJOKKBYQIW-UHFFFAOYSA-N 382.435 3.606 0 40 GHAB O=C(Nc1cccnc1-n1cccn1)c1csc(COc2ccc(F)cc2)n1 31533112 BPGBMZQKLTZICC-UHFFFAOYSA-N 395.419 3.694 0 40 GHAB Cc1cccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@H]3c2ccccc2F)c1 102820709 RIIAJZGQYBWQOV-SFHVURJKSA-N 392.390 3.566 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c(C)c2c1 103244297 JFVXXFIRLHPRNA-XSWJXKHESA-N 385.460 3.848 0 40 GHAB CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccccc3)ns2)c(C)n1 42090705 VEKSKGAQFDSTRS-UHFFFAOYSA-N 385.518 3.905 0 40 GHAB CN(C)C(=O)Cc1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 53796914 CFFOLRNTDZBXTN-UHFFFAOYSA-N 398.466 3.909 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCC1(c2ccccc2)CC1 22878632 MBLXBKFOKZANGF-KRWDZBQOSA-N 375.476 3.702 0 40 GHAB Cc1cccc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)c1C 1784868 HKKSUKVIRKWXSB-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)C1CCCCC1 2629556 RBYDKIZNBOLHOU-UHFFFAOYSA-N 379.478 3.864 0 40 GHAB Cc1c(C(=O)N[C@H]2CCCc3ccccc32)sc2nc3n(c(=O)c12)CCC3 2654888 CFCJBBOTEHUHHQ-HNNXBMFYSA-N 379.485 3.520 0 40 GHAB CCN1C(=O)c2cccc3c(NC(=S)NC(=O)c4ccccc4)ccc1c23 3200462 KOFZYNZFCUIVKJ-UHFFFAOYSA-N 375.453 3.947 0 40 GHAB Cc1ccc(S(=O)(=O)c2nc(NCc3ccccn3)sc2Cl)cc1 3229482 DVKWTLHFBHKPND-UHFFFAOYSA-N 379.894 3.945 0 40 GHAB CN(C(=O)c1nn(C)c(=O)c2ccccc12)C(c1ccccc1)c1ccccc1 3341323 HOCHHJYIZXLYSN-UHFFFAOYSA-N 383.451 3.795 0 40 GHAB CCCOc1ccc(-c2csc(NC(=O)c3nc4nccc(C)n4n3)n2)cc1 3374824 OYIMDDBCCGGMDR-UHFFFAOYSA-N 394.460 3.597 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C 3512557 BZNYHXCONOWPTI-CQSZACIVSA-N 376.412 3.785 0 40 GHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NCc4cccs4)cc3c2C1 3533383 HQSSTRHZKKZTPV-CYBMUJFWSA-N 382.485 3.827 0 40 GHAB CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1\OC(=S)N(C)C1=O 4048102 WHGXTVGJHVSMEF-HEKJOVTRSA-N 376.503 3.906 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)N4CCCCC4)ncnc32)c(C)c1 4341730 WBSZEBYIOOHNEA-UHFFFAOYSA-N 381.505 3.537 0 40 GHAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N[C@H]1C[C@H]2CC[C@@H]1C2 4385301 VBGSDXCUDCUKCY-ZOWXZIJZSA-N 393.896 3.699 0 40 GHAB Cc1nc(SCC(=O)NCCc2ccccc2)nc(O)c1Cc1ccccc1 4861693 IKLXHDBFUPAWNQ-UHFFFAOYSA-N 393.512 3.532 0 40 GHAB Cc1csc2nc(CSc3nc(C4CC4)n(-c4ccccc4)n3)cc(=O)n12 4935773 MUNLLMAAEJHDHZ-UHFFFAOYSA-N 395.513 3.815 0 40 GHAB Cc1cc(C)cc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)c1 5009865 QAVNEMYDJRNCMV-UHFFFAOYSA-N 390.468 3.776 0 40 GHAB O=C1CCc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc3c2N1CC3 5153554 LHUQWVOEALXNSU-UHFFFAOYSA-N 397.283 3.630 0 40 GHAB CSc1ccc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 5263510 OUVZDPQUZOTXDR-OAQYLSRUSA-N 398.484 3.537 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Cc3csc(C)n3)o2)c1C 5832623 YRBQNHBWAGWGQA-UHFFFAOYSA-N 390.490 3.548 0 40 GHAB COc1cccc(NC(=O)[C@H](NCc2ccc3c(c2)OCO3)c2ccccc2)c1 7377884 HLVIICAZUIDYRS-JOCHJYFZSA-N 390.439 3.894 0 40 GHAB O=C(COc1ccc(Cl)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 7759249 UHRZTADUUMPLJZ-UHFFFAOYSA-N 378.215 3.739 0 40 GHAB CCOc1c(Br)cc(C(=O)NCCc2ccccc2)cc1OC 8128222 SGGHMZPFTGENCM-UHFFFAOYSA-N 378.266 3.829 0 40 GHAB CCc1cc(C(=O)Cc2nnc(-c3ccccc3)s2)c(O)cc1OC(C)=O 8393105 BFNWLSZCRIBSNR-UHFFFAOYSA-N 382.441 3.824 0 40 GHAB O=C(N[C@@H]1CCSc2ccccc21)C1CCN(C(=O)c2cccs2)CC1 8394479 RMGHOYILUMIZKG-MRXNPFEDSA-N 386.542 3.954 0 40 GHAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(CCN(C)C)C3=O 8549538 SDFGPTLJNGWSLK-HXUWFJFHSA-N 394.446 3.656 0 40 GHAB Cc1ccccc1OCc1nn(CC(=O)N[C@@H](C)c2ccccc2)c(=S)o1 8571585 WAZSFTKTRWTIPW-HNNXBMFYSA-N 383.473 3.970 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1sccc1C 8610051 JTDGQRIVEZLJKQ-KRWDZBQOSA-N 395.488 3.974 0 40 GHAB COc1ccc(NC2=N[C@@H](c3ccccc3OC)N3C(O)=CC(C)=NC3=N2)cc1 8914433 ZPQSPYVHMYOZSN-LJQANCHMSA-N 391.431 3.716 0 40 GHAB O=C(NC[C@@H]1CCCO1)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1 9239984 LHJKGWZJGQSYDR-LBPRGKRZSA-N 387.383 3.694 0 40 GHAB Cc1ccc(-n2nc(C)c3c(=O)c(C(=O)N4c5ccccc5C[C@H]4C)c[nH]c32)cc1 9316376 BALNOSHYLHUVKZ-OAHLLOKOSA-N 398.466 3.922 0 40 GHAB C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccc(-n2cncn2)cc1 9586892 HFGUAEIGNHPBPZ-ZDUSSCGKSA-N 398.850 3.573 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCO[C@H](C)C3)cc12 9853780 PPEKUPYCUDXELZ-GFCCVEGCSA-N 389.908 3.969 0 40 GHAB Cc1cccnc1NC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 10187911 LIEGTHDZDRNXKI-UHFFFAOYSA-N 387.361 3.871 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccn2)cc1 10556790 HUVBLHSJESFQGM-MRXNPFEDSA-N 395.484 3.682 0 40 GHAB O=C(CNc1ccccc1C(=O)NC1CC1)Nc1cc(Cl)cc(Cl)c1 10753819 MYDLHIUAXWAYOY-UHFFFAOYSA-N 378.259 3.936 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 11215634 UDITWBYJRAIXRD-OAHLLOKOSA-N 390.487 3.709 0 40 GHAB CCOc1ccc(C(=O)N2CCC[C@H](c3ncncc3-c3ccncc3)C2)o1 12117201 GBVMDFOYUQFPDN-INIZCTEOSA-N 378.432 3.550 0 40 GHAB Cc1nccc(-c2sc(C3CCN(C(=O)c4c(C)noc4C)CC3)nc2C)n1 12186169 BJVOGACKJKFADD-UHFFFAOYSA-N 397.504 3.842 0 40 GHAB CC(=O)NC1(c2ccc(F)cc2)CCN(C[C@H](O)c2ccc(C)c(C)c2)CC1 12188329 ZOUUAMOIAWVBEH-QFIPXVFZSA-N 384.495 3.603 0 40 GHAB COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(C)c(C)c3)CC1)O2 12293505 BDMRJLAITIJBIC-FGZHOGPDSA-N 397.515 3.696 0 40 GHAB Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c(N)n(CCc2ccccn2)c1C 12372568 IUUPIKDNAGKQAD-UHFFFAOYSA-N 389.908 3.811 0 40 GHAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 12800637 FKXYWHAZNGFAQL-GFCCVEGCSA-N 377.238 3.533 0 40 GHAB O=C1CC2(CCCC2)C(=O)N1CN1CCc2sccc2[C@@H]1c1ccccc1 12936077 DZKOIJHXXJHVJB-FQEVSTJZSA-N 380.513 3.972 0 40 GHAB O=C(CSc1ncn[nH]1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 13683825 WZDIYHCURBHBNY-AWEZNQCLSA-N 387.852 3.521 0 40 GHAB O=C(OCC(=O)c1cccs1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 13856641 WINYRGSODUYEIE-UHFFFAOYSA-N 391.404 3.588 0 40 GHAB CCn1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1C 13881323 LMDSNGDIEHFFDM-BOPFTXTBSA-N 383.473 3.800 0 40 GHAB CCCCCNC(=O)[C@H](C)SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 14185847 HOEXOZBIMLTSEO-LBPRGKRZSA-N 393.578 3.792 0 40 GHAB COC(=O)c1cc2ccccc2cc1Oc1ccc2nnc(C(F)(F)F)n2n1 14221609 XBSAHKIUUXWUEF-UHFFFAOYSA-N 388.305 3.875 0 40 GHAB CCCn1c(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)nc2ccccc21 15192016 JTBAWAYZBOYGQQ-UHFFFAOYSA-N 378.411 3.727 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)c(OC)c1 19078696 HHAAINLAPPXQGR-RDTXWAMCSA-N 399.443 3.564 0 40 GHAB COc1ccccc1CC(=O)N1CCC[C@H]1c1ccnc2cc(C(C)(C)C)nn12 19084328 FIZYMRUQPCHNNH-KRWDZBQOSA-N 392.503 3.942 0 40 GHAB COc1ccc(OCC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2cc(C)no2)cc1 19120841 SEVVMNWIRAPKES-SFHVURJKSA-N 396.447 3.514 0 40 GHAB Cc1ccc(OCCN(C)Cc2c([C@H]3CCCNC3)[nH]c3ncccc23)cc1 19211055 UAUDURBQCSCWIN-SFHVURJKSA-N 378.520 3.849 0 40 GHAB CCc1nncn1-c1ccccc1OCC(=O)Nc1cc(C)cc2cccnc12 19656222 JUGLPNZOXWDWEC-UHFFFAOYSA-N 387.443 3.704 0 40 GHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)cc1 19796460 AMHFYPNRYPRQFQ-UHFFFAOYSA-N 395.440 3.710 0 40 GHAB Cc1ccc(OC[C@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1C 22793884 LEUOGARPCGDRHZ-OAQYLSRUSA-N 388.939 3.514 0 40 GHAB O=C(CN1CCN(Cc2cccc3ccccc23)CC1)NCCC1=CCCCC1 22923222 VYZIUIYZBCLMTF-UHFFFAOYSA-N 391.559 3.964 0 40 GHAB Cc1cccc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccc(F)cc3)n2)c1 23242402 ZINXBSQAQUETIM-UHFFFAOYSA-N 383.448 3.691 0 40 GHAB O=C(CN1CCN(Cn2c(=S)sc3ccccc32)CC1)Nc1ccccc1 23614107 RRNRBHODMZRHLN-UHFFFAOYSA-N 398.557 3.646 0 40 GHAB Cc1ccc(C(=O)NCC(=O)NCc2ccc(-c3csc(C)n3)s2)s1 24276878 OXPBNTOEZNFYNN-UHFFFAOYSA-N 391.543 3.596 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)n(Cc2ccccc2)n1 28242464 AGKQIYBXKPKOJY-CYBMUJFWSA-N 377.370 3.655 0 40 GHAB CCN1C[C@H](CN(C)C(=O)c2ccc3nc(C)c(C)nc3c2)Oc2ccccc21 32820765 KOUFCGDQMQNGAP-SFHVURJKSA-N 390.487 3.606 0 40 GHAB O=C(NCCOc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 32843796 CZJHMCRMTCJYFY-UHFFFAOYSA-N 393.409 3.616 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCCc1nc(-c2cccs2)no1 33220251 UALGHAIUVVGEGQ-UHFFFAOYSA-N 385.445 3.508 0 40 GHAB COc1ccc(CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1OC 35288618 RAIGIQKVMVBDES-BVIKNXMNSA-N 391.508 3.509 0 40 GHAB O=C(NCCCc1ccccc1)c1ccc(Cn2cnc3ccccc3c2=O)cc1 36369995 PZHCHMRVAWKEHQ-UHFFFAOYSA-N 397.478 3.807 0 40 GHAB biogenic O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 39426859 UQHZDMDBHAGRQG-UHFFFAOYSA-N 399.497 3.613 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)c3ccc(C(=O)OC)cn3)ccc2s1 40082912 SVCCWNIZCOXLRC-UHFFFAOYSA-N 384.413 3.512 0 40 GHAB Cc1nn(CC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c(C)c1Cl 40150392 BOSHVXMTTYUVIO-SFHVURJKSA-N 397.910 3.592 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)cc1F 40152571 ICTIBUOADCWTNZ-VIFPVBQESA-N 385.258 3.715 0 40 GHAB C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 48279078 QELFSVHDBDNREL-CQSZACIVSA-N 395.908 3.780 0 40 GHAB CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(CC)nn2c1/C=C/N(C)C 49770879 RCIMLKOZTIWYDX-VAWYXSNFSA-N 399.882 3.716 0 40 GHAB C[C@H](C(=O)NC1CCCCC1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 52872771 RAELWKXFDAHTAO-CQSZACIVSA-N 378.463 3.697 0 40 GHAB O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1ccc(F)cc1Cl 57297014 JSYBEASVBJRRGS-UHFFFAOYSA-N 382.266 3.893 0 40 GHAB CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 57416428 ZPRVIZVKEUULFG-CQSZACIVSA-N 390.842 3.547 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)CCCn2cc(Br)cn2)cc1 58064182 ZHYZFIVXPNGORN-QGZVFWFLSA-N 392.297 3.798 0 40 GHAB Cc1cc(NC(=O)CNCc2ccccc2)n(-c2nc3ccccc3s2)n1 58158133 ARTSSBBGQCDGKN-UHFFFAOYSA-N 377.473 3.519 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)Nc3cnn(C[C@H]4CCCO4)c3)ccc2c1 58163078 LCGVKBKUBWWNNQ-YCRPNKLZSA-N 379.460 3.966 0 40 GHAB O=Cc1ccc(OCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)cc1 59927114 MBHDZPYUWANMCQ-UHFFFAOYSA-N 382.729 3.726 0 40 GHAB Cc1n[nH]c(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c1Br 64801836 FSNZHWSHUNXCTO-UHFFFAOYSA-N 391.191 3.818 0 40 GHAB COC(=O)c1cc(OCC(=O)Nc2cccc(Cl)c2)c2cc(F)ccc2n1 65033282 SVKANMBYYIYHOZ-UHFFFAOYSA-N 388.782 3.831 0 40 GHAB CCc1nc2c(sc3ncccc32)c(=O)n1CC(=O)Nc1c(C)cccc1C 67246028 WWJALZMIKGIHLH-UHFFFAOYSA-N 392.484 3.824 0 40 GHAB CCC[C@](C)(CCCNC(=O)c1cnn(-c2ccccc2C)c1)C1OCCO1 72306505 UECSWPBDCTUPKE-JOCHJYFZSA-N 385.508 3.870 0 40 GHAB O[C@H](c1cccnc1)c1ccccc1N1CCN(Cc2ccc(F)cc2)CC1 72340637 VAUCDPYHGFKQAD-HSZRJFAPSA-N 377.463 3.625 0 40 GHAB Cc1ccc2c(n1)N(C)[C@@H](c1ccc(NC(=O)C[C@H]3C=CCC3)cc1)NC2=O 72341184 UDKBFCIPEVDKHM-YWZLYKJASA-N 376.460 3.563 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@H](c3cccc(-n4ccnc4C)n3)C2)cc1 72378842 OXLNDJXAIFFTPQ-IBGZPJMESA-N 390.487 3.533 0 40 GHAB COC(=O)c1[nH]/c(=N\C(=O)c2nc(C)sc2CC(C)C)sc1C(C)C 72405949 SLZPAVOUSOYEIO-UHFFFAOYSA-N 381.523 3.691 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 77100453 SCEOZRXMNHUKOU-UHFFFAOYSA-N 397.744 3.775 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@]1(O)CCc2ccccc21 77184930 JVCRLRYPBTUMPK-OAQYLSRUSA-N 382.847 3.867 0 40 GHAB O=C(/C=C/c1cccc(Cl)c1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 79057177 GSVXASHFFXTGPR-KGVXHEBISA-N 377.893 3.766 0 40 GHAB CN(C(=O)NCCC(=O)N1CCc2sccc2C1)C1CCCCCCC1 83855641 JCCKZTADFFENON-UHFFFAOYSA-N 377.554 3.777 0 40 GHAB Cc1ccccc1-c1noc(-c2ccc3c(=O)n(CCC(C)C)c(=O)[nH]c3c2)n1 85601941 XWFHIJYHQSHZFP-UHFFFAOYSA-N 390.443 3.761 0 40 GHAB COC(=O)CC1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 95475058 FRRHFWOYTUVZNE-UHFFFAOYSA-N 392.908 3.808 0 40 GHAB C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1N[C@@H]1CCN(c2ccccc2F)C1=O 95941361 VGLFMOVCZSFDAJ-DBXWQHBBSA-N 395.522 3.677 0 40 GHAB Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)CC2)n1 96119541 LRKNWHGLSUPXPV-UHFFFAOYSA-N 394.450 3.613 0 40 GHAB CCc1ccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)N(C)Cc3ccccn3)C2)cc1 96227436 UVHGRKMMEUVADR-OFNKIYASSA-N 392.503 3.547 0 40 GHAB O=C(CN(Cc1ccco1)Cc1nc(-c2ccco2)no1)Nc1ccccc1 96996604 HBNOHPVUSQQVMW-UHFFFAOYSA-N 378.388 3.564 0 40 GHAB COc1ncc(CN2[C@@H]3CC[C@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 100112734 DRDUKHPRXXCAAB-KYJSFNMBSA-N 393.409 3.936 0 40 GHAB CSc1ncc2c(n1)S[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)C2=O 102053763 XNJSXGDPLPFVCL-NSHDSACASA-N 385.392 3.513 0 40 GHAB CC(C)c1ccc(CN(C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)C2CC2)cc1 103125575 SJJPMCYZUJZWOT-OYRHEFFESA-N 396.531 3.866 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 113940379 SRRVESQYJCWNIR-HUUCEWRRSA-N 394.924 3.680 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2cccnc2)c1C 222772441 JALJVLQGQOFYLW-SFTDATJTSA-N 391.544 3.936 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)O)cc1 222798782 CZQNMIVJSSWFJR-MOPGFXCFSA-N 392.484 3.563 0 40 GHAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222946175 BOPQCLOAOKGJKP-OAHLLOKOSA-N 386.517 3.818 0 40 GHAB CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCCOC(C)C 223048559 QKVBKSJXBQNFHA-HSZRJFAPSA-N 396.531 3.578 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 224382136 GNKVWBMYXBQDDC-NRFANRHFSA-N 384.495 3.929 0 40 GHAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCOCC3)o2)cc1 224921329 FHPKFAIXQLOQIH-UHFFFAOYSA-N 378.428 3.880 0 40 GHAB Cn1c(=O)sc2cc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)ccc21 225056112 ZRRZQDBOMWTYFY-UHFFFAOYSA-N 399.491 3.590 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(C)cc1C 225590296 PESVDZFEPPHVOE-LJQANCHMSA-N 375.490 3.828 0 40 GHAB Cc1ccc(C(=O)Nc2cc(Br)c3nc(NN)sc3c2)cc1 226309548 QLPBJFBHDBYINC-UHFFFAOYSA-N 377.267 3.905 0 40 GHAB COc1ccc(C(=O)N2CC[C@H](Oc3ccc4ccccc4n3)C2)c(OC)c1 245070555 QOUJZSMPDAZVEE-KRWDZBQOSA-N 378.428 3.546 0 40 GHAB Cc1ccccc1Cc1cccc([C@H]2CN(Cc3cn(C)nc3C)CCO2)n1 257227011 FNGGHFVWCLVWOF-HSZRJFAPSA-N 376.504 3.596 0 40 GHAB O=C(NC[C@@H]1CCCOC1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257335993 YMRSFOMUTOXMLQ-FQEVSTJZSA-N 394.515 3.631 0 40 GHAB O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1ccc2c(c1)CCO2 390826379 JLGHRLXKRDBODK-KRWDZBQOSA-N 377.512 3.812 0 40 GHAB COc1cc(NC(=S)NC(=O)c2cccc(C)c2OC)c(OC)cc1Cl 408625560 YMGCKXYBQQPAGS-UHFFFAOYSA-N 394.880 3.801 0 40 GHAB CCCN1C(=O)N/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C1=O 409221424 QANVELCYAKOLJG-MDWZMJQESA-N 397.269 3.548 0 40 GHAB Cc1c(CNC(=O)N2CC[C@H](c3nc[nH]n3)C2)sc2ccc(Cl)cc12 581425777 FOZHGOIVVZPHAD-NSHDSACASA-N 375.885 3.680 0 40 GHAB CCCCS(=O)(=O)N1CC[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 585080358 YBMDZYZHJNTCEF-LLVKDONJSA-N 399.866 3.618 0 40 GHAB O=C(c1ccc2nc(C(F)F)[nH]c2c1)N1CCO[C@]2(CCc3ccccc32)C1 677123187 FRASRGPCELNOEG-OAQYLSRUSA-N 383.398 3.815 0 40 GHAB COc1nccc2cc(NC(=O)N3Cc4ccccc4NC(=O)[C@@H]3C)ccc12 1218224969 AMTCYKPGNRGFDY-ZDUSSCGKSA-N 376.416 3.618 0 40 GHAB Cc1ccc2c(c1)NC(=O)C[C@@H]1CCN(C(=O)Nc3cccnc3)C[C@@H]1CCO2 1534646393 JBHALUJTVDWAKF-IRXDYDNUSA-N 394.475 3.671 0 40 GHAB CC1(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)CCCCC1 1615158035 PTDIHIMZKWWNDS-JOCHJYFZSA-N 388.483 3.521 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1 1343623 HFVZDNBQADBLQU-LJQANCHMSA-N 395.459 3.841 0 40 GHAB O=C(NC1CCCC1)[C@H](c1ccco1)N(C(=O)c1csnn1)c1ccccc1 1357064 DJEQMSJRIYBYDI-SFHVURJKSA-N 396.472 3.578 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1)c1cccnc1 1366377 ZKRLZKXDPSQUJR-UHFFFAOYSA-N 390.468 3.757 0 40 GHAB CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccc(C)cc1)C(F)(F)F 2306187 CQPNUGBPJAXWKF-SFHVURJKSA-N 380.366 3.659 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(F)cc1F 2453885 POINMBBJUNISHX-UHFFFAOYSA-N 397.410 3.825 0 40 GHAB O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)c1ccccc1 2459513 JMIWCPLKKFQMBX-UHFFFAOYSA-N 398.484 3.995 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1 2630625 RPHZVFRIUGRDBX-INIZCTEOSA-N 375.266 3.842 0 40 GHAB COc1cc(OC)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 2664900 JTQXUFTWIDLENL-NSHDSACASA-N 397.349 3.907 0 40 GHAB Cc1nn(Cc2ccc(C(=O)N3CCCC[C@H]3C)o2)c(C)c1Br 2778936 QZYZMHNJOAMVSH-LLVKDONJSA-N 380.286 3.918 0 40 GHAB Cc1nn(C)cc1Nc1nnc(Cn2nc(C(F)(F)F)c(Cl)c2C)s1 2796764 SSHCBYIWVMNTHW-UHFFFAOYSA-N 391.810 3.549 0 40 GHAB CC(C)(C)C(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 3317333 LWVWQXOESNYPRR-UHFFFAOYSA-N 392.484 3.741 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 3349261 YVYSKSAKAMAAEO-UHFFFAOYSA-N 375.780 3.945 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)no1 3457616 IGHQOARCUGDYOP-UHFFFAOYSA-N 389.456 3.767 0 40 GHAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(OCc2ccccc2)cc1 3543129 IZCYBKJOYDCFJP-UHFFFAOYSA-N 392.436 3.692 0 40 GHAB COc1cccc(CN(CCc2ccc(OC)c(OC)c2)C(=O)C(F)(F)F)c1 3847225 CCEINFRTMLODBU-UHFFFAOYSA-N 397.393 3.846 0 40 GHAB biogenic CCc1cccc(C)c1-n1c(CNC(=O)c2ccc(OC)cc2)nnc1SC 4059395 HTDWMZOLCAPLOA-UHFFFAOYSA-N 396.516 3.799 0 40 GHAB Cc1sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c(C(N)=O)c1-c1ccccc1 4163815 ASHUMHUOECUMPQ-VRKREXBASA-N 398.484 3.508 0 40 GHAB COc1cccc(-n2cnnc2S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1 4843589 VKIPZFRCHBDAQH-AWEZNQCLSA-N 396.472 3.598 0 40 GHAB Cc1ccc(N2C[C@@H](NC(=O)Nc3ccc(Br)cc3)CC2=O)cc1 5123520 FAZUOZLDXOPWCL-HNNXBMFYSA-N 388.265 3.685 0 40 GHAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)N1c2ccccc2C[C@H]1C 6082059 OOHAEXSRRGMITG-HUUCEWRRSA-N 394.500 3.734 0 40 GHAB CC(=O)NCCCc1ccc(C(=O)COC(=O)c2ccc(F)cc2Cl)cc1 6087049 LXBLUNDOFHOLJZ-UHFFFAOYSA-N 391.826 3.588 0 40 GHAB CCC(C)(C)NS(=O)(=O)c1cc(Br)ccc1Br 6315092 HBBDBDYHCJESQO-UHFFFAOYSA-N 385.121 3.679 0 40 GHAB CN(C)S(=O)(=O)c1cccc(C(=O)OCc2c(Cl)cccc2Cl)c1 6384691 KTWWGNSBQKWKRX-UHFFFAOYSA-N 388.272 3.601 0 40 GHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cnc2ccccc2n1 6647114 DWZYWGFZILTNCZ-UHFFFAOYSA-N 384.443 3.867 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1 6784503 FKNZLBHFGSNHRC-HJUDDPQBSA-N 386.517 3.608 0 40 GHAB O=C(CSc1nnc2sc3ccccc3n12)NCCc1ccc(F)cc1 6789708 YGNBGVSMLBUZNU-UHFFFAOYSA-N 386.477 3.534 0 40 GHAB COc1ccc([C@H](NC(=O)CSc2nncn2C(C)C)c2ccccc2)cc1 6851104 HRVGMGCHEIFVKV-HXUWFJFHSA-N 396.516 3.866 0 40 GHAB O=C([C@@H](Sc1nccn1-c1cccc(F)c1)c1ccccc1)N1CCOCC1 6934351 SHTQDPOPVUFYET-IBGZPJMESA-N 397.475 3.704 0 40 GHAB Cc1ccc2c(CC(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)coc2c1 6947055 HHHKXQVIMCGBBR-AWEZNQCLSA-N 395.411 3.625 0 40 GHAB CCCCn1nnnc1NCc1cccc(OC)c1OCc1ccccc1F 7262212 SWSAPTABUVULJH-UHFFFAOYSA-N 385.443 3.812 0 40 GHAB O=C(CN1CCCSc2ccccc21)Nc1cc(Cl)ccc1-n1cncn1 7274149 RVOSIAOAHQEMDN-UHFFFAOYSA-N 399.907 3.862 0 40 GHAB COc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(OC)c1OC 7342908 GNIVDEILTKLYQQ-GDNBJRDFSA-N 386.429 3.807 0 40 GHAB CCCc1cc(=O)[nH]c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)n1 7654143 KLWLTHNQKNROEK-CYBMUJFWSA-N 389.546 3.732 0 40 GHAB O=C(COc1ccccc1C1SCCS1)NCc1ccc2c(c1)OCO2 7911847 URBDSOKYDUMEND-UHFFFAOYSA-N 389.498 3.589 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 8264824 PCUISEMVKRZYJQ-SFHVURJKSA-N 394.471 3.862 0 40 GHAB CC(C)CSc1nnc(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)s1 8393461 CEZGCHBFHDHGRN-SNVBAGLBSA-N 396.563 3.504 0 40 GHAB C[C@H](NC(=O)COc1ccccc1Cc1ccccc1)c1nnc2ccccn12 8745001 GMVVKIQDUHXPHB-KRWDZBQOSA-N 386.455 3.576 0 40 GHAB O=C(O)Cc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 9153847 BLQGRXZNJJHHHV-UHFFFAOYSA-N 391.423 3.655 0 40 GHAB CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3cccs3)s2)CC1=O 9199410 YYOMBKSNINTKEQ-ZDUSSCGKSA-N 398.513 3.935 0 40 GHAB CSc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 11464863 YGXAEMVMWIJOKE-JTQLQIEISA-N 382.388 3.589 0 40 GHAB CC(=O)N[C@@H](CC(=O)OCc1cc(Cl)cc2c1OCOC2)c1cccs1 12175246 QGNDZQZILQIALF-HNNXBMFYSA-N 395.864 3.579 0 40 GHAB COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4cc(C)c(O)c(C)c4)[C@H]3C2)cc1 12188403 OVLJGIKGTQEYGA-IRLDBZIGSA-N 394.515 3.754 0 40 GHAB COc1cccc(CN2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)c1 12329710 CVDLNXZIMYFDDI-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB Cc1ccc(C)c(N2C[C@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)c1 12414897 UKSORNRHTWNAFB-OAHLLOKOSA-N 377.400 3.603 0 40 GHAB Cn1ccnc1[C@H](NC[C@@H](O)CO[C@@H]1CCCc2ccccc21)c1ccccc1 12520380 FYVAFCCWQJBDQY-YMPZKCBVSA-N 391.515 3.554 0 40 GHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cn3c(C)cccc3n2)CC1 12538705 CRAMLHLMORNAKF-UHFFFAOYSA-N 397.910 3.690 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 12562606 LKWXAYMDUVCMDZ-CALCHBBNSA-N 386.517 3.630 0 40 GHAB COCCCn1c(=S)[nH]c2cc(C(=O)Nc3cccc(C)c3)ccc2c1=O 12563832 HAIURQQWQBJEJJ-UHFFFAOYSA-N 383.473 3.656 0 40 GHAB Cc1cccc(NC(=O)Cn2c(CNC(=O)c3ccccc3)nc3ccccc32)c1 12616106 WHDGUNNOYHJPCT-UHFFFAOYSA-N 398.466 3.913 0 40 GHAB CCOCCCNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 12733699 PZNDPAXAKFANDE-UHFFFAOYSA-N 375.469 3.750 0 40 GHAB O=C(CN1C(=O)COc2ccc(Cl)cc21)c1ccc(Br)cc1 12843617 XEQKNWHHSMQNRI-UHFFFAOYSA-N 380.625 3.711 0 40 GHAB CSc1ccc(C)c(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 12911046 METSSYZOPYCBHK-UHFFFAOYSA-N 382.529 3.886 0 40 GHAB Cc1ccc(CN(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c(C)c1 12982913 LJGRIJOKMJJBFQ-UHFFFAOYSA-N 381.501 3.602 0 40 GHAB COCc1nn2c3c(cnc2c1-c1ccc(OC)c(OC)c1)C(=O)CC(C)(C)C3 13638428 NALUMIJIPKJUKL-UHFFFAOYSA-N 395.459 3.715 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(N3CCCC3)cc2)cc1Cl 13649142 BNFMQEXLSFGUHI-UHFFFAOYSA-N 380.897 3.774 0 40 GHAB O=C(CCCn1nc(-c2ccco2)ccc1=O)Nc1ccccc1C(F)(F)F 13698460 XCXQMSGONIMXDX-UHFFFAOYSA-N 391.349 3.941 0 40 GHAB CC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1Cc1ccco1 13735934 ZDDOVMGVIYOEBW-UHFFFAOYSA-N 386.473 3.846 0 40 GHAB CCN(C(=O)CN(C)CCOc1ccc(F)cc1)c1nc2ccccc2s1 15101633 JQQKBJWLLJBAES-UHFFFAOYSA-N 387.480 3.799 0 40 GHAB CN(C)[C@@H](CNC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1 15372767 QUERGVIMAHKORL-IBGZPJMESA-N 377.444 3.565 0 40 GHAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@@H](c1cnn(-c2ccccc2)c1)N3 15502840 ULDPOGUPXYZBHJ-SFHVURJKSA-N 375.457 3.953 0 40 GHAB COc1cc(C)c(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)cc1C 15842085 KVQHDTYEEQLGJG-UHFFFAOYSA-N 382.485 3.920 0 40 GHAB CC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3F)CC2)cc1 16661313 QHPKUULIFZOKFI-IBGZPJMESA-N 386.511 3.685 0 40 GHAB CSc1ccccc1NC(=O)[C@H](C)N1CCN(c2ccc(C(C)=O)cc2)CC1 16684854 UVLDPWYMNRKBTF-INIZCTEOSA-N 397.544 3.760 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1cc(-c2ccccc2F)on1 16838514 XWEOLIVAKRWNMN-UHFFFAOYSA-N 377.375 3.770 0 40 GHAB CSc1ccc(-c2noc(Cn3nc(-c4ccccc4)ccc3=O)n2)cc1 16844773 HVQYFXJMBZEYHH-UHFFFAOYSA-N 376.441 3.731 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)C1 16956106 PFRRGZAHSQZXRC-ZIAGYGMSSA-N 378.542 3.809 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](c2ccc(F)cc2)N(C)C)c(OC)c1 19581579 OYDFBDDHVMLGIT-FPOVZHCZSA-N 386.467 3.809 0 40 GHAB CN(C)CCn1nc([C@@H]2CCN(C(=O)CCC3CCCCC3)C2)c2cccnc21 19583163 IOGXASTWGSUACY-LJQANCHMSA-N 397.567 3.669 0 40 GHAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCCN2CC(C)C)cc1 19766475 AUWWTDKRSLSOOU-OAQYLSRUSA-N 396.535 3.907 0 40 GHAB O=C(CN1CCOCC1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 20169312 UPXZRYUPUWEWHR-UHFFFAOYSA-N 393.512 3.676 0 40 GHAB O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 20465427 IDVGEGVGEBZIDJ-UHFFFAOYSA-N 398.484 3.720 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)Oc1cccc(OC)c1 21130331 PWZRJAKHUARYEI-UHFFFAOYSA-N 387.251 3.624 0 40 GHAB O=C(CNC(=O)c1ccccc1Br)OCc1ccccc1Cl 21452260 DULXCDGLNQXSMJ-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB Cc1cc2nc(C)c(CCC(=O)Nc3nc4c(s3)CCCCC4)c(C)n2n1 22375685 DGKKBYXFDGYTNO-UHFFFAOYSA-N 383.521 3.951 0 40 GHAB CC(C)c1ccccc1N(CC(=O)NC1CCCCCCC1)S(C)(=O)=O 22400090 FYNFQELFMQTAAG-UHFFFAOYSA-N 380.554 3.805 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)c2C)no1 22840528 VYVSZWPSOHHKOQ-HXUWFJFHSA-N 378.476 3.519 0 40 GHAB COc1ccc(CCNC(=O)N2CCC(c3nnc(C4CC4)s3)CC2)cc1 23140951 VOWZROKQSUBKQG-UHFFFAOYSA-N 386.521 3.556 0 40 GHAB O=C1NC[C@@H](CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)O1 24752879 UYEVZWMLVBTGIX-ZDUSSCGKSA-N 393.896 3.756 0 40 GHAB COc1cccc(/C=C/C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1OC 24759345 BOFLQGGLGSLRDZ-ZHACJKMWSA-N 391.471 4.000 0 40 GHAB COc1cc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cc(OC)c1OC 24759554 QOYOBRXUROMRLB-LLVKDONJSA-N 381.375 3.805 0 40 GHAB Cc1ccc(-c2nc(COC(=O)c3cncn3-c3ccc(F)cc3)no2)cc1 26415731 OPUAXIOVSDBICY-UHFFFAOYSA-N 378.363 3.727 0 40 GHAB CCCCN(CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H](C)CC 26649330 DWGQNKBKEXDEMJ-QGZVFWFLSA-N 397.585 3.556 0 40 GHAB Cc1ccc(NC(=O)CSCC(=O)N(C)c2nc3ccccc3s2)cc1 26962401 DXUVAKUNZGRNGY-UHFFFAOYSA-N 385.514 3.939 0 40 GHAB O=C(CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(F)c1 28844165 DOULNQXONKVICF-UHFFFAOYSA-N 395.400 3.995 0 40 GHAB CC(=O)c1cccc(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)c1 30057143 VFVLJXBEOPYWSE-UHFFFAOYSA-N 383.407 3.841 0 40 GHAB O=C1S/C(=C/c2cccs2)C(=O)N1CCNC(=O)C1(c2ccccc2)CC1 35684675 DCBKCUKMDAXOQU-DTQAZKPQSA-N 398.509 3.632 0 40 GHAB COc1cc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)ccc1OC(C)C 40005275 JUDKQHBSPLVLJV-INIZCTEOSA-N 380.448 3.502 0 40 GHAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c(C)c12 40050954 CPMOXMLKLJEDNZ-UHFFFAOYSA-N 379.445 3.607 0 40 GHAB Cc1nc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)sc1C 40130486 MFDVQMHYDPCHRR-ZDUSSCGKSA-N 397.422 3.766 0 40 GHAB C[C@@H](NC(=O)c1cccs1)C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 40156354 YYWHBSLTSMNMOD-CQSZACIVSA-N 394.500 3.705 0 40 GHAB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cc(-c2ccccc2F)on1 43046891 FSANHUWFJPSBOX-UHFFFAOYSA-N 399.466 3.782 0 40 GHAB COc1ccc(C(=O)NCCCCN2CCCC[C@@H]2C)cc1Br 46989457 OZRZSIWZCPPGTR-AWEZNQCLSA-N 383.330 3.842 0 40 GHAB COc1cc(CNC(=O)CCCOc2ccc(Cl)cc2)cc(OC)c1OC 48245788 XMPFALCVGHIOKE-UHFFFAOYSA-N 393.867 3.841 0 40 GHAB COCCN(Cc1ccccc1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 48325644 AIDGSHAPJNFSMA-UHFFFAOYSA-N 391.393 3.730 0 40 GHAB O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 55642251 STYGTOVDERTOJI-UHFFFAOYSA-N 398.406 3.577 0 40 GHAB C[C@@H]1CCCC[C@H]1N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 57698493 SVSXLBRHFDFOOD-YLJYHZDGSA-N 378.582 3.869 0 40 GHAB CN(C(=O)[C@H]1CCCc2ccccc21)C1CCN(CCc2ccccn2)CC1 58202980 CPZYNABWDYBWCR-QHCPKHFHSA-N 377.532 3.667 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 58323951 GXUYSYAMHXFBPF-JOCHJYFZSA-N 393.531 3.622 0 40 GHAB O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1CCCN(C(=O)N2CCCC2)C1 65490947 YUUWXAOCTPFOIP-OAHLLOKOSA-N 390.553 3.668 0 40 GHAB CC(=O)Nc1nc(C(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)cs1 65533237 KSSSIYOBDJQYLE-UHFFFAOYSA-N 382.489 3.911 0 40 GHAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)N1CCC[C@H](CO)C1 67645292 GUSKBUHTJWROAK-HNNXBMFYSA-N 384.442 3.931 0 40 GHAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NCCCOC)C12CCCCC2 70666663 LRCZQWFTWFLRIR-FXAWDEMLSA-N 386.536 3.880 0 40 GHAB biogenic CCCN(CCC)c1nc(CN(C)C)nc2sc(C(=O)OCC)c(C)c12 72281897 KEDBVYCEBOCKDJ-UHFFFAOYSA-N 378.542 3.864 0 40 GHAB COc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3cscn3)C2)n1 72362646 YYBFKBJKNLHSAG-AWEZNQCLSA-N 396.472 3.754 0 40 GHAB Cn1cc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccc(Cl)cc3)C2)cn1 72362945 HFBBMQWVHIJBPM-CQSZACIVSA-N 397.866 3.676 0 40 GHAB CCc1nc2cccnc2n1[C@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 72366021 ILLJOEFYWHZHTG-HNNXBMFYSA-N 377.423 3.701 0 40 GHAB CCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)CCC2 72372956 WIXKREFCNSHIDM-LJQANCHMSA-N 394.519 3.820 0 40 GHAB CCOc1ccccc1CN1CCC[C@@H](c2cc(=O)[nH]c(-c3cccnc3)n2)C1 72393059 WJADEZTWNRYRHC-GOSISDBHSA-N 390.487 3.610 0 40 GHAB CCOC(=O)Nc1nc2c(s1)CN(C(=O)NCc1ccc(Cl)cc1)CC2 77196351 AFMCTOWMEXCBOO-UHFFFAOYSA-N 394.884 3.633 0 40 GHAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Nc2cccnc2Cl)cc1 89904830 ORIRPZSVQHGTBY-QFBILLFUSA-N 375.856 3.648 0 40 GHAB Cc1nn(C)c(Oc2cccnc2)c1NC(=O)C[C@H]1OCCc2ccsc21 95349674 XJVHIFORJUIIBL-OAHLLOKOSA-N 384.461 3.620 0 40 GHAB O=C(NCCn1ccc2ccc(F)cc21)c1cccc(Nc2ncccn2)c1 95472851 JNGFTBZPICZANC-UHFFFAOYSA-N 375.407 3.744 0 40 GHAB COc1ccc2cc(C(=O)N[C@H](c3ccc(F)cc3)c3nccn3C)[nH]c2c1 95948240 UEMAOARSFIHNLB-LJQANCHMSA-N 378.407 3.569 0 40 GHAB Cc1cccc(NC(=O)N2CCOC[C@H]2c2c(C)nn(CC(F)(F)F)c2C)c1 96002647 LSBKNCWOAWOFOP-INIZCTEOSA-N 396.413 3.976 0 40 GHAB COc1cccc(CN2CCC3(CC2)CCN(C(=O)c2cccc(C)n2)C3)c1 96046641 OPAJMOLGAWGSPA-UHFFFAOYSA-N 379.504 3.527 0 40 GHAB O=C(C[C@H]1CC2(CCN(CC3CCOCC3)CC2)c2ccccc21)NC1CCC1 96052790 KRSRWGMQCHDBHT-FQEVSTJZSA-N 396.575 3.993 0 40 GHAB CCCc1nnsc1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119694 HSEKPRBIZDDLFJ-UHFFFAOYSA-N 395.444 3.977 0 40 GHAB CCc1cc(O)n2nc([C@H]3CCN(CC(C)(C)CN4CCC(C)CC4)C3)cc2n1 100727503 IMRWSKUHFQJPNZ-SFHVURJKSA-N 399.583 3.545 0 40 GHAB CCOCCn1/c(=N/C(=O)C2CCCCC2)sc2cc(NC(C)=O)ccc21 100873665 AKYIWFOBOSQSBX-XDOYNYLZSA-N 389.521 3.705 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N1CCN(C2CC2)CC1 105261258 CWXODGUJFIUMJH-AWEZNQCLSA-N 388.512 3.808 0 40 GHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1C1CCCCC1 223573815 NMAHDNLUZZCWEW-RTWAWAEBSA-N 398.576 3.970 0 40 GHAB CCN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3)o2)CC1 224913244 BJCDCHXSFLZKDT-UHFFFAOYSA-N 391.471 3.795 0 40 GHAB O=C(CSCc1ccc(Cl)cc1F)NC[C@@H]1COc2ccccc2O1 225281823 SVDQCOVHNUNWGR-CQSZACIVSA-N 381.856 3.669 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(SC)c3)ccc21 225689646 TXCKIEKQIXJDQJ-UHFFFAOYSA-N 380.516 3.606 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3cc(C)ccc3C)ccc21 225695823 RAOGGQTZRUAWGH-CQSZACIVSA-N 390.530 3.739 0 40 GHAB O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1cc2cc(Cl)ccc2[nH]1 225809165 FPDPQOHTDXNDBK-UHFFFAOYSA-N 393.756 3.813 0 40 GHAB COC(=O)c1cn(C(=O)c2ccc(OC)c(Br)c2)c2ccccc12 226367847 YFZQXWDNNHMSRN-UHFFFAOYSA-N 388.217 3.888 0 40 GHAB CN1C(=O)CCC[C@]12CN(C(=O)CCc1ccccc1)C[C@H]2c1cccc(F)c1 257227488 FPNYFCUXZSCLIG-XUZZJYLKSA-N 394.490 3.765 0 40 GHAB CC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@H](Cc2ccnc3cccnc23)C1 257234357 GTDWLQIXDCNBEP-LJQANCHMSA-N 394.563 3.921 0 40 GHAB O=C(NC1CCC(O)CC1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257272913 NEJKNUBLWDIWBS-UHFFFAOYSA-N 394.515 3.508 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)CC(C)(C)C)CC1 257295315 QXVRVGHGSANMQI-HZPDHXFCSA-N 388.556 3.955 0 40 GHAB CC(=O)N[C@H]1C[C@@H](c2ccccc2)O[C@@H](c2cc(C)ccc2OCC(=O)O)C1 257307819 TUGWZZPXCJNFMP-DZFGPLHGSA-N 383.444 3.556 0 40 GHAB O=C(Cc1cccs1)N[C@H]1CCCC[C@@]12CN(Cc1cccs1)CCO2 306125997 DIOXOTFEKXXPQJ-AZUAARDMSA-N 390.574 3.682 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c(C)c1 408550446 CDLSMQVXILHNLG-INIZCTEOSA-N 382.485 3.762 0 40 GHAB CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 408629192 OYHLEVPUQVYDSX-UHFFFAOYSA-N 379.504 3.905 0 40 GHAB CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1cccc2c1OCCCO2 524180640 ITGHJDQPPGLLER-UHFFFAOYSA-N 379.460 3.609 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cc2csc3ccccc23)cc1 575622171 XDBIXQCWXRWVCH-ZDUSSCGKSA-N 389.498 3.597 0 40 GHAB O=C(C1CCN(c2nc3ccc(Cl)cc3o2)CC1)N1CCC(F)(F)CC1 1889136157 JTRGZQOAGWITMR-UHFFFAOYSA-N 383.826 3.955 0 40 GHAB COc1ccc(N(C(=O)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 646756 NJPAETOGDMZFTM-UHFFFAOYSA-N 381.453 3.660 0 40 GHAB Cc1ccc(C(=O)Oc2ccccc2NC2=NS(=O)(=O)c3ccccc32)cc1 666771 KGTJLPPHSKXBLH-UHFFFAOYSA-N 392.436 3.775 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCc3ccccc3C=C2Br)cc1 1686649 VQYVNHHEQHXJTC-UHFFFAOYSA-N 378.291 3.935 0 40 GHAB CCCCOC(=O)[C@H](C)n1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 1785024 TXTGKXFMRSDIMB-STQMWFEESA-N 391.537 3.908 0 40 GHAB Cc1ccc(OCC(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 2703832 RRBMBZGQARQGLV-UHFFFAOYSA-N 399.497 3.839 0 40 GHAB COc1ccc([C@H](C)NC(=O)c2ccccc2I)cc1 3155967 SMQWPJLMGQZEGL-NSHDSACASA-N 381.213 3.791 0 40 GHAB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 3269999 AGUUBXNUQDXGJL-UHFFFAOYSA-N 397.399 3.814 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1 3278595 RXNBLPVRNMWINJ-UHFFFAOYSA-N 384.457 3.810 0 40 GHAB OC[C@@H]1CCCN(c2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)C1 3329322 BXAKVIGIBTZYPB-CQSZACIVSA-N 380.517 3.841 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cc2)n1 3338062 AETVZYFHFHQFFY-FQEVSTJZSA-N 378.476 3.649 0 40 GHAB Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 3345585 QNNKILNEUWZAFN-QAPCUYQASA-N 393.516 3.645 0 40 GHAB COCCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1ccccc1 3601302 VKPMOZORFIYAHI-HNNXBMFYSA-N 382.489 3.711 0 40 GHAB CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C(N)=O)C1 4174377 AJOWESKTXGCGOZ-XQQFMLRXSA-N 392.521 3.582 0 40 GHAB O=C(Nc1ccc(Br)cc1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4374162 MXEQMSINOXFAEE-CQSZACIVSA-N 392.228 3.515 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4374166 KDBZUQYBXQERSO-CQSZACIVSA-N 381.329 3.772 0 40 GHAB COc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)cc1OC 4909287 BOSGMMXKTWQDGJ-LJQANCHMSA-N 383.835 3.922 0 40 GHAB CSc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)C)C2 5222460 INSMQCWLYGVLGB-UHFFFAOYSA-N 389.546 3.588 0 40 GHAB COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1OC 5487660 ZNVJDACSHFRSMY-CQSZACIVSA-N 397.431 3.777 0 40 GHAB COc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 5555874 RKCVKDWHGRGNEN-UHFFFAOYSA-N 387.457 3.688 0 40 GHAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)/C=C/c1ccc2c(c1)OCO2 5603617 VUIXTBRWDAFYBJ-GYAHQXATSA-N 376.456 3.571 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1COc2ccccc2O1 5631307 PXYBUAZZBNRRDR-WCQYABFASA-N 382.243 3.717 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@@H]1CCCc2ccccc21 6077475 RNORBWOPYHWHMH-OAHLLOKOSA-N 384.785 3.714 0 40 GHAB C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(F)cc1 6172620 OOCNQAVPGBHZBD-NSHDSACASA-N 385.844 3.647 0 40 GHAB Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 6270339 PWIOLBNPYFYFFA-UHFFFAOYSA-N 396.468 3.813 0 40 GHAB CCOc1cc2c(cc1/C=C/C(=O)O[C@H](C)C(=O)Nc1ccccc1)O[C@H](C)C2 6444451 DOUAPUUYKFJVMH-NUPWCOBBSA-N 395.455 3.992 0 40 GHAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)[C@H]1c1cccs1 6875867 BNVAIHJCXCVRCI-VQTJNVASSA-N 398.528 3.544 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1 6944727 FLIXDUMODNQZMY-UHFFFAOYSA-N 383.835 3.938 0 40 GHAB O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccc(F)cc1 7982701 JNLGWGOWXHVQPG-UHFFFAOYSA-N 376.840 3.740 0 40 GHAB O=C(Nc1ccc(-c2nccs2)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 7988569 XDPYWUHFSSUQSB-KRWDZBQOSA-N 377.469 3.797 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1cccc(Cl)c1 8132750 QXWUUTKHFQXZDK-UHFFFAOYSA-N 389.908 3.963 0 40 GHAB COc1ccc(OCC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 8327695 MKGIJSAIFCKPRX-UHFFFAOYSA-N 383.444 3.774 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccccc2)c1 8345761 DNGWDZCZUIBMKV-UHFFFAOYSA-N 394.924 3.643 0 40 GHAB COc1cc(CN(C(=O)c2ccccc2)c2ccccn2)cc(OC)c1OC 8586651 KQPLFAYQGWIAPB-UHFFFAOYSA-N 378.428 3.954 0 40 GHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)n2)c(OC)c1 8605306 XKGQYMUHSMZNIU-ZDUSSCGKSA-N 397.406 3.722 0 40 GHAB COC(=O)CCSc1nc2c(c(=O)[nH]1)[C@H](C1CCCC1)Cc1ccccc1-2 8769132 PEGLGYPOVDLDQQ-INIZCTEOSA-N 384.501 3.922 0 40 GHAB COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 9219400 FEICAWNDHVPYKV-UHFFFAOYSA-N 378.519 3.717 0 40 GHAB CCCn1c(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)nc2ccccc21 10652628 HGXKDABSDNGXCZ-OAQYLSRUSA-N 392.503 3.768 0 40 GHAB CCc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@@H](C)Nc3ncnn32)cc1 11694842 DYFGUPRXBAQEST-VOBQZIQPSA-N 391.475 3.507 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc3c(C)nn(C)c3s2)c1C 11975308 UWNHRMRVJBQSKR-LBPRGKRZSA-N 387.461 3.519 0 40 GHAB Cc1cc(C)n2nc(C(=O)N[C@H](c3ccccc3)c3cccnc3)c(Cl)c2n1 12148268 YKPJOQKIKCSUIM-GOSISDBHSA-N 391.862 3.914 0 40 GHAB CC(C)(C)NC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3 12250942 QFXJVABNZSSUPQ-UHFFFAOYSA-N 394.544 3.965 0 40 GHAB O=C1CCSc2ccc(C(=O)N[C@H](Cc3ncc[nH]3)c3ccccc3)cc2N1 12507519 XZVGASJTRQMVEG-MRXNPFEDSA-N 392.484 3.558 0 40 GHAB Nc1cc(N)nc(SCc2csc(COc3ccc(Cl)cc3)n2)n1 12545891 XCTGBWCQGUXJIL-UHFFFAOYSA-N 379.898 3.622 0 40 GHAB Cc1cccc(-c2nnc(SCc3nnnn3C3CC3)n2Cc2ccco2)c1 12737608 IKBOTQZIQNLUEI-UHFFFAOYSA-N 393.476 3.509 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)c3ccco3)s2)cc1 12774042 WJWVBVSMQNSKEN-UHFFFAOYSA-N 397.456 3.613 0 40 GHAB COc1cc2nc(-c3ccccc3)nc(N3C[C@H](C)O[C@H](C)C3)c2cc1OC 13582846 HWHMLWNCWMDFDS-GASCZTMLSA-N 379.460 3.928 0 40 GHAB CCc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1ccc(Cl)cc1 13610808 FAJWKDHMJGBITQ-UHFFFAOYSA-N 383.883 3.942 0 40 GHAB O=C1CCCc2nc3nc(SCc4ccc(Br)cc4)nn3cc21 13634141 GZVSSFBSKXYSGE-UHFFFAOYSA-N 389.278 3.698 0 40 GHAB COC(=O)c1cc(-c2c(C)nn(C)c2C)nc2c(-c3ccccc3)c(C)nn12 13645703 IFBHYVJRTWAXDR-UHFFFAOYSA-N 375.432 3.509 0 40 GHAB O=C(Nc1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CC2)c1c(F)cccc1Cl 13695581 HDPJMXFYGVPAAE-KRWDZBQOSA-N 388.826 3.800 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712222 JPHHPPHOZHZUFQ-INIZCTEOSA-N 384.860 3.662 0 40 GHAB CC(C)C[C@@H](C(=O)N[C@@H]1CCc2ccccc21)N1C(=O)c2ccccc2C1=O 14186579 RCJAWWSLBVEDHQ-UXHICEINSA-N 376.456 3.501 0 40 GHAB COc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(Cl)c1OC(C)C 14784577 RYDRKWJEXBGKHO-UHFFFAOYSA-N 397.880 3.792 0 40 GHAB COc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 14878479 QFTHPCCTVJBXAZ-UHFFFAOYSA-N 391.836 3.832 0 40 GHAB CCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O 15021528 KGNXBHGLNZOQOK-IKGGRYGDSA-N 391.254 3.860 0 40 GHAB O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)NC(=O)NCc1ccccc1 15124032 KQJSQVCQHJAFOX-UHFFFAOYSA-N 385.773 3.797 0 40 GHAB CCCCCCNC(=S)N1CCN(C(=S)NCCCCCC)[C@H](C)C1 16638080 RBNQPMYBPUEGDA-QGZVFWFLSA-N 386.675 3.902 0 40 GHAB COc1cccc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c1OC 16969401 JSGLUWRKUAGKKE-UHFFFAOYSA-N 389.879 3.835 0 40 GHAB COc1cc(NC(=S)Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1 17077380 GGBXLLOJMVPFLM-UHFFFAOYSA-N 378.450 3.539 0 40 GHAB CN1CCCN(C(=O)CCc2c[nH]c3ccccc23)c2nc3ccccc3nc21 17364372 KNGCZYGAHSYPPX-UHFFFAOYSA-N 385.471 3.917 0 40 GHAB CCCCC12CN3CC(C)(CN(C1)C3c1cccc(Br)c1)C2=O 19320869 QGJDFAMQXQENLO-UHFFFAOYSA-N 377.326 3.845 0 40 GHAB O=C(c1ccccc1-c1ccccc1)N1CCc2nc(C3CCNCC3)ncc2C1 19374246 YUNBABRZWFHLIQ-UHFFFAOYSA-N 398.510 3.809 0 40 GHAB CCN1CCC(n2nccc2NC(=O)c2cc(-c3ccccc3F)no2)CC1 19527059 LSDCUCMAGRHDQG-UHFFFAOYSA-N 383.427 3.586 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4F)c3)on2)cc1 19717186 IJVHXVLGSIIKCY-UHFFFAOYSA-N 392.390 3.986 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)c1cc(C)sc1C)(C3)C2 20066544 BIIBLEVIIICQLI-XBLGPDGASA-N 389.517 3.566 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 20484264 RPGHOXGHSAYJHU-OAHLLOKOSA-N 394.924 3.600 0 40 GHAB Cc1ccc(-n2nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3n2)cc1 20609951 MWCHZEHECSTEDB-UHFFFAOYSA-N 378.457 3.838 0 40 GHAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)[C@@H]1C[C@H]1C 20864579 ADSZCYPJVUIDQZ-ZYHUDNBSSA-N 391.445 3.631 0 40 GHAB CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(F)c(F)c2)cc1 22430953 LULQEGZGJACGEL-UHFFFAOYSA-N 375.371 3.989 0 40 GHAB COc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1Cc1ccccc1 23055216 KIGNSSYWEVALOD-UHFFFAOYSA-N 385.423 3.546 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606471 MZFNMEWFHNTBBH-CYBMUJFWSA-N 398.937 3.749 0 40 GHAB O=C(Nc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1)c1ccco1 26987229 MBOHULIFCMJMMO-FQEVSTJZSA-N 375.428 3.964 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)n2cc(Br)cn2)c(Br)c1 28224174 WISQKPCOMUXHFW-SECBINFHSA-N 387.075 3.916 0 40 GHAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCCN1CCOC1=O 29327955 OJROYJKJOHQLKC-UHFFFAOYSA-N 376.412 3.819 0 40 GHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1sccc1-c1ccccc1 30032075 UYFSJHSFZIEFHD-UHFFFAOYSA-N 381.482 3.985 0 40 GHAB O=C(CCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1)c1ccc(Cl)cc1 30999731 AIICMJCXWGNPTQ-MRXNPFEDSA-N 396.878 3.752 0 40 GHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 31794353 CUHBTKGREVJSAL-HUUCEWRRSA-N 379.485 3.869 0 40 GHAB Cc1cc(C)cc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccc(F)cc32)c1 32073910 HCDMTWQDMYKGFL-OAQYLSRUSA-N 376.391 3.858 0 40 GHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 32721314 GOABYDHMDSQPBJ-UHFFFAOYSA-N 388.272 3.674 0 40 GHAB C[C@@H]1C[C@@H](Sc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)C(=O)O1 32736609 ASUIJTCJGPZQPL-GMSGAONNSA-N 391.396 3.976 0 40 GHAB O=C(Cc1csc(-c2ccco2)n1)Nc1cccc(-c2nnc3n2CCC3)c1 32752804 MLFQSAWDTDDYNZ-UHFFFAOYSA-N 391.456 3.789 0 40 GHAB CC(=O)Nc1cccc(OC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1 32895943 KIHOREQPQNKDJK-UHFFFAOYSA-N 386.411 3.657 0 40 GHAB CCOC(=O)N1CCC(Nc2nc(C)c(C(=O)Nc3ccccc3)s2)CC1 32932966 HBRWQHUBSKZTRC-UHFFFAOYSA-N 388.493 3.737 0 40 GHAB COCc1c(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)oc2ccccc12 33194421 TYUHDICBBBDNSL-UHFFFAOYSA-N 386.791 3.816 0 40 GHAB CC1=C[C@@H](CN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 35442653 JPYUMFVAUSRJEF-ACRUOGEOSA-N 396.535 3.861 0 40 GHAB biogenic,in-vitro C[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)CN1CCCCC1 40157528 QFBFRAQWUIEBLY-MRXNPFEDSA-N 385.533 3.852 0 40 GHAB O=C(CCn1ccc2c(Br)cccc21)NCCc1ccc(O)cc1 40266567 AHYYXPZYUYJIJE-UHFFFAOYSA-N 387.277 3.858 0 40 GHAB COc1ccc(CCNC(=O)c2sc(NC3CCCC3)nc2C)cc1OC 40283500 CLGYWCIXGRFIIH-UHFFFAOYSA-N 389.521 3.796 0 40 GHAB CCCCCn1ccc2nc3nc(C)nn3c(-c3ccccc3OC)c2c1=O 40398441 BVLKWYFLWXNJPI-UHFFFAOYSA-N 377.448 3.613 0 40 GHAB O=C(CSc1cc(N2CCCC2)ncn1)Nc1ccccc1C(F)(F)F 44112053 POHHMYXNHGMYOK-UHFFFAOYSA-N 382.411 3.826 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 44850145 XQFWLYYCXPXSQU-UHFFFAOYSA-N 396.487 3.728 0 40 GHAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44852832 DZYSEYKJUVIBOO-UYAOXDASSA-N 384.495 3.930 0 40 GHAB COc1ccc(Nc2ccccc2C(=O)N[C@@H]2CCCc3c2cnn3C)cc1 47088798 RHAGOUNLTPBZHO-HXUWFJFHSA-N 376.460 3.980 0 40 GHAB CCC(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)C1 47197028 UBQPUPPLBZKFQX-OAHLLOKOSA-N 385.489 3.600 0 40 GHAB Cc1nc(-n2nnc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2C)sc1C 49032494 ZQFDLQAFDSBIMB-UHFFFAOYSA-N 397.382 3.800 0 40 GHAB c1cc(-c2ccc(-c3noc([C@@H]4CCCN4C4CCOCC4)n3)cn2)ccn1 49155500 KXAVWCXTOOHUST-IBGZPJMESA-N 377.448 3.510 0 40 GHAB biogenic,in-vitro C[C@H]1CCC[C@@H](CNC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)C1 56817544 AQGOIKAJVMWIJQ-FUHWJXTLSA-N 389.515 3.690 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccccc1 56945931 HLPSJWSANJWQHG-NRFANRHFSA-N 393.462 3.712 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1 57389706 OZMUBRAOUAFDQA-LBPRGKRZSA-N 375.856 3.596 0 40 GHAB Cc1ccccc1C(=O)N[C@H](C(=O)OCc1ccn(-c2ccccc2)n1)C(C)C 58005647 WTISQMZLRUAJQM-NRFANRHFSA-N 391.471 3.679 0 40 GHAB CC(C)Cc1ccc(C(=O)CCC(=O)NC[C@H]2COc3ccccc3O2)cc1 58218224 YDYKCBVXVVNSMX-IBGZPJMESA-N 381.472 3.804 0 40 GHAB O=C(CCCc1nc2ccccc2s1)NCc1ccnc(-n2ccnc2)c1 58441464 BNIBUOLRSPKKSK-UHFFFAOYSA-N 377.473 3.516 0 40 GHAB CC(C)(NC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1)c1ccc2c(c1)OCO2 65536886 FQTPTVNYDXJEHW-AWEZNQCLSA-N 392.864 3.675 0 40 GHAB O=C1C[C@@H](c2ccccc2)N(c2nc(C(F)(F)F)nc3ccccc23)CCN1 69464331 JYTSSFJWYCTXBS-INIZCTEOSA-N 386.377 3.716 0 40 GHAB O=C(CN1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCCC1 72348782 MZECRUCSNJHSCD-IBGZPJMESA-N 381.495 3.613 0 40 GHAB Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 72374949 SGJTULPHFFZGOV-QGZVFWFLSA-N 390.491 3.590 0 40 GHAB Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)CN2CCCC2)n1 72377101 HEUDZAVUMAAHJG-SFHVURJKSA-N 399.926 3.529 0 40 GHAB COc1ccc(NC(=O)c2nnc(CN(C)[C@@H]3CCc4ccccc43)s2)cc1 89364927 XRXMAOGVWKOLCO-GOSISDBHSA-N 394.500 3.918 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)NCc1sc(-c2cccs2)nc1C 90592832 QVTUSLNNYBEGFI-UHFFFAOYSA-N 398.506 3.806 0 40 GHAB O=C(Nc1ccc2ccccc2c1)N1CCN(c2cc(-n3cccc3)ncn2)CC1 90607866 HINXIZBACYNPAL-UHFFFAOYSA-N 398.470 3.775 0 40 GHAB CN(CC1=Cc2cc(Cl)cc(Cl)c2OC1)CC(C)(C)S(C)(=O)=O 93772497 LAFJVIQLXQEFSA-UHFFFAOYSA-N 378.321 3.524 0 40 GHAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)N[C@@H]1CCO[C@@]2(CCOC2)C1 95458148 GAGQQKALYUSGEG-UZLBHIALSA-N 393.915 3.790 0 40 GHAB CNC(=O)c1cccc(NC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c1C 95960825 IKEYSPJIPSNCAF-CQSZACIVSA-N 378.432 3.892 0 40 GHAB CN(C)C(=O)n1c(C(=O)NCCc2ccccc2)cc2c1c1ccccc1n2C 96146312 JMZDRLNKZHUAFA-UHFFFAOYSA-N 388.471 3.635 0 40 GHAB CCc1nn2c(O)cc(-c3ccn(CC)n3)nc2c1-c1ccc(OC)c(OC)c1 100733120 ZFKUBKPNYUGNEM-UHFFFAOYSA-N 393.447 3.565 0 40 GHAB Cc1noc(C)c1S(=O)(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 207001168 BFJCKZOFHXDKAU-OAHLLOKOSA-N 386.926 3.814 0 40 GHAB CC[C@@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 216329901 OODOLDXJPGKWEU-SFHVURJKSA-N 394.924 3.543 0 40 GHAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 222911473 IIXNTWYWXLYNPK-LJQANCHMSA-N 380.532 3.948 0 40 GHAB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1F 223132914 LVFJWZNVXDWPHT-QGZVFWFLSA-N 384.495 3.743 0 40 GHAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 223288989 GTCXTUHEOJJBJB-JXMROGBWSA-N 385.272 3.553 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 223545441 BEDITKCZMRIUMP-GOSISDBHSA-N 396.531 3.916 0 40 GHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)[nH]1 224002106 JICDSOYUPLMXRV-UXHICEINSA-N 392.484 3.932 0 40 GHAB Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)ccc1N(C)S(=O)(=O)c1ccccc1 224191803 CICCMDPHQZRGEJ-MBOZVWFJSA-N 398.528 3.739 0 40 GHAB O=C(O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224921641 NSTPSBHGDKANMZ-UHFFFAOYSA-N 385.416 3.773 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1F 225009273 MGHFFJKYPPQZQJ-IRXDYDNUSA-N 386.467 3.537 0 40 GHAB FC(F)(F)c1ccc(NC(=S)N2CCN(Cc3ccccn3)CC2)cc1 225226045 BNHRKPLHROLTPN-UHFFFAOYSA-N 380.439 3.615 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCCSCc2ccco2)c1C 225348354 XPSHGMLKUXMFAQ-UHFFFAOYSA-N 378.519 3.985 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 225453904 QRVGIIBQFLFTNN-SFHVURJKSA-N 384.545 3.862 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc21 225722122 HVHZBVCUQKYRTJ-UHFFFAOYSA-N 392.502 3.673 0 40 GHAB COc1ccccc1[C@H](C)NS(=O)(=O)c1cc2c(cc1OC)CCCC2 225726792 KMNZLHNAENXVKS-AWEZNQCLSA-N 375.490 3.622 0 40 GHAB COc1c(O)cccc1[C@H]1CC(c2ccsc2)=NN1C(=O)CN1CCCCC1 226788785 MVTNVPBBUHCSGQ-GOSISDBHSA-N 399.516 3.626 0 40 GHAB O=C(COc1nn(-c2ccccc2)cc1Cl)NCCCc1ccc(F)cc1 227152242 MMXZPXQXXCUXKI-UHFFFAOYSA-N 387.842 3.793 0 40 GHAB Cc1noc(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@H]21 257198655 FNTZOFACFLKARG-KPYOPSEVSA-N 383.536 3.646 0 40 GHAB O=C(CN1CCCCCC1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257307529 SZCDBRMAVFMFHP-FQEVSTJZSA-N 381.520 3.847 0 40 GHAB COc1ccc(-c2n[nH]c3c2C[C@@H](C(=O)NCc2cccc(OC)c2)CC3)cc1 306142854 XMOWPPONXHLOCI-KRWDZBQOSA-N 391.471 3.515 0 40 GHAB N#Cc1cccc(C(=O)N(CCn2ccc(-c3ccncc3)n2)C2CCCC2)c1 390826092 BHTCKWIOQHWJLC-UHFFFAOYSA-N 385.471 3.902 0 40 GHAB Cc1cc(Cl)cc(OCC(=O)N2N=C3CCCC[C@@H]3[C@]2(O)C(F)(F)F)c1 409188773 GFZLWYJUSOPABB-BBRMVZONSA-N 390.789 3.667 0 40 GHAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 409317634 QTRNCIUVQJTILL-XDHOZWIPSA-N 392.480 3.616 0 40 GHAB COc1ccc(C(=O)Nc2cccc(CN[C@H](c3nccn3C)C3CC3)c2)cc1 512903800 HCHHFTSSRIWYAL-NRFANRHFSA-N 390.487 3.922 0 40 GHAB Cc1nc(NC(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)ccc1-c1ccccc1 564417552 DLAUVFBTJVNIDN-XLIONFOSSA-N 391.475 3.832 0 40 GHAB Cc1nccn1CC(=O)N1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 618238886 LEUFOIKFWLSDDD-GOSISDBHSA-N 381.398 3.714 0 40 GHAB Cc1ccc([C@@H](N[C@@H]2CCCn3ccnc32)c2cccc(S(C)(=O)=O)c2)cc1 655719887 ZWOFXDIBTINOBD-NHCUHLMSSA-N 395.528 3.809 0 40 GHAB CN(C)c1ncc(CN[C@@H]2CCCCc3cc(Br)ccc32)cn1 657786341 OLVGYBBRHWNAQX-QGZVFWFLSA-N 375.314 3.862 0 40 GHAB CN1CCC[C@@H](CNC(=O)Cc2cscn2)[C@@H]1c1ccc(C(F)(F)F)cc1 668877651 STBKYAPYOCLMBM-KSSFIOAISA-N 397.466 3.904 0 40 GHAB CN(CC1CCN(c2ncnc3ccccc23)CC1)c1ncnc(C2CC2)c1F 2087059438 QBEMHLAPZGNFFA-UHFFFAOYSA-N 392.482 3.789 0 40 GHAB Fc1cc(F)c2nc(N3CC[C@H](COc4ccc5nccn5n4)C3)sc2c1 2087067161 BZZLUBGPMCOOFQ-NSHDSACASA-N 387.415 3.523 0 40 GHAB Cc1cc(C)cc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 824464 UPGMGIZUEUQYJM-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 872588 WTBUFYNRAHCCMZ-UHFFFAOYSA-N 382.489 3.932 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)c1 920485 GUNPAPUMKYJMTJ-UHFFFAOYSA-N 387.436 3.964 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)COc2ccccc2C(C)(C)C)n1 939720 CUCVZFULEBQYNF-UHFFFAOYSA-N 376.478 3.564 0 40 GHAB O=C1CS[C@@H](c2ccccc2)N1CCN1C(=O)CS[C@H]1c1ccccc1 1249032 JDXXRAJDMGVZCQ-PMACEKPBSA-N 384.526 3.535 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)N(C)C)cc2c1 1376593 QQGAHVFRUYUNIF-UHFFFAOYSA-N 393.487 3.653 0 40 GHAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C(=O)NCc1ccccc1)c1ccc(F)cc1 1377999 NBOHAIAHSJRJSW-SEJPIABJSA-N 395.478 3.851 0 40 GHAB O=C(O[C@H]1CCN(Cc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 1640522 ZOAOWHPGYZFBSH-QHCPKHFHSA-N 387.479 3.740 0 40 GHAB C[C@H]1CCCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)C1 2664421 UZHPPHXHWWJVIJ-KXBFYZLASA-N 395.528 3.829 0 40 GHAB COc1ccc([C@H](NC(=O)NC[C@H]2CCCO2)C(Cl)(Cl)Cl)cc1F 3176427 LLPNSQZLXLARNY-MFKMUULPSA-N 399.677 3.724 0 40 GHAB CCOc1ccc2oc(C(=O)OCc3cc(=O)n4ccsc4n3)c(C)c2c1 3523196 FQEAUKBYWBQNOI-UHFFFAOYSA-N 384.413 3.566 0 40 GHAB CCOc1ccccc1-n1nnnc1SCC(=O)c1c[nH]c2ccccc12 3571472 KWWRMYPAELKIFH-UHFFFAOYSA-N 379.445 3.517 0 40 GHAB O=S(=O)(NCCc1csc(-c2ccccc2)n1)c1cc(F)ccc1F 4166854 JEWHNJYHTUTREH-UHFFFAOYSA-N 380.441 3.609 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)o2)cc1 4575794 HLDLBIREFZNIGM-GOEBONIOSA-N 375.494 3.744 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 4756896 WSGPHFMFXHCQGE-YRNRMSPPSA-N 384.501 3.714 0 40 GHAB O=C(CSc1ccc(Cl)cc1)c1ccccc1C(=O)N1CCOCC1 5583575 GLFDAZQFPDLDBY-UHFFFAOYSA-N 375.877 3.787 0 40 GHAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccccc1C(=O)c1ccccc1 5632966 BSWOGJMYLKMTNG-UHFFFAOYSA-N 391.398 3.781 0 40 GHAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2C(=O)O)cc1 5719004 RYVBQGXBCBMJRF-CYBMUJFWSA-N 387.432 3.933 0 40 GHAB COc1cccc(-n2cnnc2S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 5895519 HIOOKWWRNRDNPJ-GJZGRUSLSA-N 394.500 3.734 0 40 GHAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccn1CC 6325099 RMONEVAXXAWBBR-UDWIEESQSA-N 387.281 3.815 0 40 GHAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O 6326920 JWGUASRNZDQREO-NTUHNPAUSA-N 387.379 3.941 0 40 GHAB CCC[C@@H]1CC(=O)Oc2c(C(=O)[C@@H](C)[C@@H](C)O)c(O)c3c(c21)OC(C)(C)C=C3 6381038 QVXVUACNNIWBIU-YNEHKIRRSA-N 388.460 3.969 0 40 GHAB biogenic O=c1cc(CSc2nc(C3CC3)n(-c3ccccc3)n2)nc2sccn12 6549511 XHONCRRYHNXZQD-UHFFFAOYSA-N 381.486 3.506 0 40 GHAB CCCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 6596965 RXOTZAQMYGTGPK-UHFFFAOYSA-N 394.924 3.842 0 40 GHAB CN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 6680979 ZTMFETDCZMSVLY-UHFFFAOYSA-N 386.498 3.821 0 40 GHAB CCn1nccc1C(=O)Nc1cccc(-n2c(=S)[nH]c3ccccc3c2=O)c1 6908073 UIFTUQKXHCMLHJ-UHFFFAOYSA-N 391.456 3.517 0 40 GHAB O=C(CSc1nncn1-c1ccccc1F)c1ccc(N2CCCC2=O)cc1 7371485 AJOPCRUDZPYJCB-UHFFFAOYSA-N 396.447 3.508 0 40 GHAB O=C(CSc1nnc(NC(=O)C2CC2)s1)Nc1cccc2ccccc12 7387954 JICQDFXIXUCOAE-UHFFFAOYSA-N 384.486 3.771 0 40 GHAB Cc1noc(C)c1CCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7399155 UGAQUIJIPHZKLZ-UHFFFAOYSA-N 379.464 3.848 0 40 GHAB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)c1 7468824 DFGYSEQXZIMQBO-DEDYPNTBSA-N 391.471 3.807 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1Cl 7872033 CWBJLYPBIMMOKT-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 7881095 MWOUADXSWJWGLF-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 8328796 BGIYHJFCKLWCBQ-UHFFFAOYSA-N 388.423 3.527 0 40 GHAB Cc1cccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 8558522 DTGLWBLFSYDLJK-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB CC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2C1 8976873 BEDSTTFKUKLCTP-UHFFFAOYSA-N 380.469 3.545 0 40 GHAB Cc1nc(C(=O)Nc2ccc(N3CCCCC3)cc2)nn1-c1ccc(F)cc1 9112159 ZIXBIZSLUUMGBT-UHFFFAOYSA-N 379.439 3.957 0 40 GHAB Cc1ccc(N2C[C@H](c3nc(-c4ccc(N(C)C)cc4)no3)CC2=O)cc1C 9320920 MYENXSOCGXVZKT-QGZVFWFLSA-N 376.460 3.940 0 40 GHAB Nc1nc(CSc2ccc3c(c2)OCCCO3)nc(Nc2ccc(F)cc2)n1 9576219 BNVYFZDMMIKFSS-UHFFFAOYSA-N 399.451 3.790 0 40 GHAB O=C1CC[C@@]2(C(=O)OCCOc3cccc(Cl)c3)Sc3ccccc3N12 9737590 JCRIVRFVLMIQTO-IBGZPJMESA-N 389.860 3.891 0 40 GHAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nc(C)cc(O)n1 10157759 FBWSHUMFQRLPGN-UHFFFAOYSA-N 385.489 3.820 0 40 GHAB O=C1C[C@H](C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c2ccc(F)cc2N1 11202520 RHAQARDXJBKGLO-INIZCTEOSA-N 393.374 3.736 0 40 GHAB O=C(NCCc1ccccc1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 11856668 SEZWZJOMWIVZEG-UHFFFAOYSA-N 383.831 3.845 0 40 GHAB COc1ccc(OC)c(NC(=O)CS[C@@H]2CCc3ccccc3N=C2O)c1 11865840 AKRJPWSBMPFKKA-GOSISDBHSA-N 386.473 3.979 0 40 GHAB O=C(CCn1cnc2ccccc2c1=O)N[C@@H](c1ccccc1)c1cccs1 12272787 WAVBPBOWLWANSL-NRFANRHFSA-N 389.480 3.754 0 40 GHAB CCOC(=O)N1CCC(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 12389630 ONLJRSHQPJIXRR-UHFFFAOYSA-N 391.468 3.608 0 40 GHAB O=C1C[C@H](c2ccc(Cl)cc2)c2cnn(Cc3ccc4c(c3)OCO4)c2N1 12429119 CDEYEELOLKUJQK-OAHLLOKOSA-N 381.819 3.788 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CS[C@@H](C)c3nc4ccccc4[nH]3)ccc21 12556881 IMNPARMYRJIFIE-ZDUSSCGKSA-N 394.500 3.905 0 40 GHAB CC(C)[C@@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 12785955 POKBRWPJRQRDNJ-NFBKMPQASA-N 393.531 3.851 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2cc3cc(Cl)ccc3[nH]2)N2CCOCC2)o1 12977909 SKWXYLPEFBVCPQ-SFHVURJKSA-N 387.867 3.526 0 40 GHAB COc1ccc(CC(=O)N[C@@H]2CCSc3c(F)cccc32)c(OC)c1OC 12985928 NESYNKKHAYANPB-OAHLLOKOSA-N 391.464 3.747 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714101 DJOSAAPFKOQCOX-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB CC1(C)Cc2nc3ncn(Cc4ccc(Cl)cc4Cl)c(=O)c3cc2CO1 13723788 BHGOVXNKEKNPBT-UHFFFAOYSA-N 390.270 3.998 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 14165080 SOAVVSYCWMEMDA-JXFKEZNVSA-N 392.565 3.948 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NCc1ccco1 14704071 GBUKEOMXRPMMTI-UHFFFAOYSA-N 392.411 3.510 0 40 GHAB Cc1ccn2c(=O)cc(COC(=O)c3ccccc3C(=O)c3ccccc3)nc2c1 14754024 WDUSKVJJYCHAOR-UHFFFAOYSA-N 398.418 3.591 0 40 GHAB Cc1ccc(O)c(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c1 15018988 ZQKYBPZSGPSRFX-UHFFFAOYSA-N 394.456 3.973 0 40 GHAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2cccc3cccnc23)c1 15601483 JYLBBEQZPFUIPR-UHFFFAOYSA-N 383.473 3.566 0 40 GHAB C[C@H]1Oc2ccccc2N(CCC(=O)OCc2ccc(F)cc2Cl)C1=O 16192286 LJLUMYIWTNZQMS-GFCCVEGCSA-N 377.799 3.727 0 40 GHAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@H](C)c1ccc(F)cc1 16204690 HUTIPYYZXYHIDC-CYBMUJFWSA-N 385.414 3.562 0 40 GHAB O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)NCc1ccccc1Cl 17117040 ORTVDCSEHQLXJV-UHFFFAOYSA-N 393.299 3.857 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(-c2ccc(CNCc3ccco3)o2)cc1 17309672 DTGONZYNRHSTQH-UHFFFAOYSA-N 388.489 3.860 0 40 GHAB O=C(Nc1ccccc1OC[C@H]1CCCCO1)[C@@H]1CCCN(c2ccccn2)C1 19349959 JBTWYULLUMZOFM-RTBURBONSA-N 395.503 3.885 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2C[C@@H]2C)C1 19462704 RJCHLFOPPYKXKL-REDKUUPNSA-N 382.529 3.578 0 40 GHAB C[C@H]1CN(c2ncc(-c3ccc(Cl)cc3)c(-c3nccn3C)n2)C[C@H](C)O1 19497631 LWMANNHOVDLQSV-KBPBESRZSA-N 383.883 3.811 0 40 GHAB CCN1CCC[C@H]1CN(CC1=Cc2cc(OC)ccc2OC1)Cc1cccnc1 19527184 QAXZWVAWZPLZBQ-QFIPXVFZSA-N 393.531 3.853 0 40 GHAB CC(C)(C)c1csc(CCNC(=O)C2(c3cccc(F)c3)CCOCC2)n1 19662121 VWNUDFPYOARCBV-UHFFFAOYSA-N 390.524 3.987 0 40 GHAB COc1ccc(-c2ncc(CN3CC[C@H]4[C@H]3CCCCCN4C(C)=O)cn2)cc1 19712497 DWNDDTVPIZAMGD-YADHBBJMSA-N 394.519 3.518 0 40 GHAB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)Nc3cccc(F)c3)cc21 20428097 VWNPZGAXCGMCGN-UHFFFAOYSA-N 397.454 3.650 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)COC(=O)CSc1nc2ccccc2o1 22067318 XYGIQRLMIGSFJM-CQSZACIVSA-N 384.457 3.649 0 40 GHAB CC[C@@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 22274995 YZTWUPMDJUXHJK-OAHLLOKOSA-N 394.924 3.758 0 40 GHAB O=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)NCCC1=CCCCC1 22923229 GWYZWITWUKSDJV-UHFFFAOYSA-N 393.934 3.603 0 40 GHAB COc1cccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@@H](C)C2)c1 23157861 XEFGXOBSBXOELZ-IIYDPXPESA-N 386.521 3.881 0 40 GHAB COc1ccc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)c(OC)c1 23880455 UQKFCOQDWZPNAV-UHFFFAOYSA-N 375.375 3.721 0 40 GHAB COc1cc(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)cc(OC)c1 24356764 GISJYNFLGVBKHQ-UHFFFAOYSA-N 385.464 3.739 0 40 GHAB COC(=O)C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1cccs1 24485621 GJRMTNXZBLPVNJ-NSHDSACASA-N 394.301 3.638 0 40 GHAB CCOC(=O)c1sc2ncnc(NC[C@@H]3COc4ccccc4C3)c2c1C 26758690 SOJQWPLSQNABPN-CYBMUJFWSA-N 383.473 3.840 0 40 GHAB CCCCCOc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 27822541 YAJSBIAKSOBBBF-UHFFFAOYSA-N 382.570 3.843 0 40 GHAB C[C@H](O)CNc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)(C)C 28914989 LCKIGDCZSGWXGK-KRWDZBQOSA-N 394.519 3.656 0 40 GHAB CC(C)c1ccc([C@@H](C)NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1 29427222 SJOWVDJKDGQHAL-MRXNPFEDSA-N 393.487 3.753 0 40 GHAB CCN(C(=O)Cn1nnc(-c2cccc(OC)c2)n1)c1cccc2ccccc12 29463845 KZNPLEHEBJNTRA-UHFFFAOYSA-N 387.443 3.555 0 40 GHAB CC(=O)c1cc(-c2ccnc(N3CCN(c4ccccc4)CC3)n2)c(C)nc1C 30874205 HLRBGCOUCIBPCF-UHFFFAOYSA-N 387.487 3.685 0 40 GHAB CC(C)C(=O)N1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 32102060 XYCYAOHSKAWMHW-UHFFFAOYSA-N 389.499 3.630 0 40 GHAB O=C(NCCC(=O)N1CCCC1)c1ccccc1OCc1ccc(Cl)cc1 32716722 XZCBCDQYDJKJCL-UHFFFAOYSA-N 386.879 3.661 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)NC1CC1 32904787 PKEGNKMHVVVHCG-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB CC(C)(C)C(=O)Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c1 32906973 MGCOIXLTAHGVGU-MRXNPFEDSA-N 383.448 3.508 0 40 GHAB CCOc1cc2c(cc1NC(=O)[C@@H]1CC(c3cccc(F)c3)=NO1)O[C@H](C)C2 33162649 DEAJDOHPZLIQBJ-ODXCJYRJSA-N 384.407 3.680 0 40 GHAB CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 34858503 GHIUPNVONDUJFH-UHFFFAOYSA-N 384.501 3.910 0 40 GHAB CCn1cc(CN(C)c2nc(-c3cnn(CC)c3C)cc(C(F)F)n2)c(C)n1 36613979 AEOOOAQHZGCLCE-UHFFFAOYSA-N 389.454 3.767 0 40 GHAB Cc1cc(C)cc(OCCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1 40060303 GOPAQKIVBJNBCW-UHFFFAOYSA-N 380.488 3.625 0 40 GHAB COc1cccc(-c2noc(CCC(=O)Nc3ccc(OC)c(Cl)c3)n2)c1 41185362 YYIQKLGMFMORPH-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB CN(C)[C@@H](CNC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccs1 43143375 PLNGOHBERPBWJX-MSOLQXFVSA-N 389.521 3.730 0 40 GHAB O=S(=O)(c1ccc(NCc2ccccc2CN2CCCC2)cc1)C(F)F 43272601 RLKZEOZCKBSIAD-UHFFFAOYSA-N 380.460 3.891 0 40 GHAB O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1ccc(F)cc1 44836580 PZZIHOYJKABMIZ-UHFFFAOYSA-N 377.169 3.995 0 40 GHAB Cn1c(SCC(=O)NCCOc2ccccc2)nc2cc(Cl)ccc21 48344529 IQVBSDFBJAJDMV-UHFFFAOYSA-N 375.881 3.514 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 52411136 SRVNVPKFSDOVGL-UHFFFAOYSA-N 378.519 3.738 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2ccsc2c1=O 57478523 JMCKQINWFWVEKR-UHFFFAOYSA-N 395.456 3.877 0 40 GHAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccccc1-c1ccccc1 57893938 LQVXMTQRXXSRFK-UHFFFAOYSA-N 387.483 3.820 0 40 GHAB CCn1c(-c2ccccc2)c(C(=O)CN2CCC(C(N)=O)CC2)c2ccccc21 58145490 JYXXRJGNHPKPTP-UHFFFAOYSA-N 389.499 3.708 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccn(Cc2cn3ccccc3n2)n1 58171161 AFXBXKYYEGVUAO-CQSZACIVSA-N 395.850 3.639 0 40 GHAB CN(C)c1nc2sc(C(=O)NCc3ccccc3OC(F)F)cc2s1 58366611 ZGDJGRCMYASNGB-UHFFFAOYSA-N 383.445 3.955 0 40 GHAB O=C1N[C@@]2(COC3(CCN(Cc4ccccc4Cl)CC3)C2)Nc2ccccc21 72325404 XHOIOWPBASMRQG-QFIPXVFZSA-N 397.906 3.647 0 40 GHAB CCOc1ccc(C(=O)N2CCN(c3ccccc3OCC)CC2)cc1OCC 72331224 NZPFOZYVHKJLMA-UHFFFAOYSA-N 398.503 3.845 0 40 GHAB CCCS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 89960368 DECRXJKOGBUMIN-HNNXBMFYSA-N 397.294 3.933 0 40 GHAB Cc1cc(C)n(-c2nc(CCNC(=O)c3nc4ccccc4s3)cs2)n1 90609344 FXJLOERLIGGUBS-UHFFFAOYSA-N 383.502 3.528 0 40 GHAB O=C([C@H]1CCn2cncc2C1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1 95972828 JBAHQYCTZGQEDX-NSHDSACASA-N 389.286 3.819 0 40 GHAB COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1c(O)n[nH]c1Cc1ccccc1 96117294 JBGUXSGAOLXMHI-CQSZACIVSA-N 386.835 3.760 0 40 GHAB O=C(CSc1ccc(F)cc1)NCCn1nc(-c2ccncc2)cc1C1CC1 96121662 WUEBATMOKALBIA-UHFFFAOYSA-N 396.491 3.870 0 40 GHAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1Br 97592188 ANJUOHQTDUKVNO-CQSZACIVSA-N 391.284 3.935 0 40 GHAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)O[C@@H](C)C(=O)c1ccc(C)cc1)(C3)C2 102399781 MYRKKIZSNCQSRB-KXSMRGEYSA-N 383.488 3.585 0 40 GHAB C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 118914663 KFMBVCVREUOCAU-OABVHFJBSA-N 376.537 3.864 0 40 GHAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223305069 ZAHAJTIZRVCRBP-PWIZWCRZSA-N 384.549 3.671 0 40 GHAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 224873384 DTTUROCQMFBRRD-UHFFFAOYSA-N 384.295 3.981 0 40 GHAB CC[C@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1 225483727 ZFALYMSQICPNMC-SFHVURJKSA-N 391.562 3.829 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@@H](N2CCc3ccccc3C2)C1 225687217 HJUYKKFFTCXKSM-LJQANCHMSA-N 392.528 3.515 0 40 GHAB COc1cccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)c1 225843910 HYVYRORMTVNMOK-UHFFFAOYSA-N 394.518 3.812 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 225849279 VOKTYCVQPCIMAV-MRXNPFEDSA-N 386.517 3.670 0 40 GHAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C[C@H]2CCOC2)C1 248289311 JALDVPLLLKZRIJ-JPYJTQIMSA-N 398.503 3.566 0 40 GHAB CC1(C)Oc2ccccc2[C@H]2OCC3(C[C@@H]21)CN(C(=O)c1ccc(O)cc1)C3 257220042 DJGSNZALYOJKIG-AZUAARDMSA-N 379.456 3.783 0 40 GHAB CC(=O)N1CCCCC[C@@H]2N(C(=O)c3ccn(C)n3)[C@H](c3ccccc3)C[C@@]21C 257328043 XDVYDACTRGNHPL-FUDKSRODSA-N 394.519 3.557 0 40 GHAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)Cc3ccccc3F)C2)cn1 257341584 ZKYQDBHUUKMPLK-INIZCTEOSA-N 394.450 3.521 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(F)cc4)cc3)C(=O)[C@@H]2C1 408684565 PCDTYPFMCOIRHF-RTBURBONSA-N 378.403 3.924 0 40 GHAB CC(=O)c1ccc(-c2ccc([C@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)o2)cc1 524733375 MJMRWEWZASVZHF-MRXNPFEDSA-N 377.396 3.597 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575613533 RPVFEJNJNTXVOX-GFCCVEGCSA-N 385.226 3.998 0 40 GHAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(CCc2ccccc2)C1 585262553 SLDPIOOKMSRBQD-DEOSSOPVSA-N 389.499 3.565 0 40 GHAB COc1cccc([C@@H]2CC(=O)c3c(nc4c(cnn4-c4ccccc4)c3N)C2)c1 618256950 OVEPUQWRGUHNCI-HNNXBMFYSA-N 384.439 3.924 0 40 GHAB Cc1nc2c3ccccc3nc(SCCCn3c(O)nc4ccccc43)n2n1 644592566 FOOABCIOSQFWIH-UHFFFAOYSA-N 390.472 3.824 0 40 GHAB C[C@@H](c1ccccc1)n1ccc(NC(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)n1 682101993 WFBOKNMSXJKXDE-YJBOKZPZSA-N 389.459 3.740 0 40 GHAB Cc1ccc(Cc2nc(C(=O)NC[C@@H]3c4ccccc4CN3C)cs2)cc1 1532370366 QEQNNASFRMUVJS-HXUWFJFHSA-N 377.513 3.959 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3cccc(F)c3)CC2)CN1Cc1ccccc1 1848352573 IMLXIGQQPLHDIT-QHCPKHFHSA-N 382.479 3.609 0 40 GHAB O=C(Nc1cc(F)ccc1F)N1CCC(Cc2nc(-c3ccncc3)no2)CC1 1888910683 PSOYUPUGGNJTSS-UHFFFAOYSA-N 399.401 3.896 0 40 GHAB COc1cccc(NC(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)c1 793119 NNIGYLBJEIQDDI-UHFFFAOYSA-N 399.830 3.961 0 40 GHAB COC(=O)C[C@@H](c1ccc(OC)cc1)[C@@H](CC(=O)OC)c1ccc(OC)cc1 1597038 IGCAIHLXNHWPFM-PMACEKPBSA-N 386.444 3.697 0 40 GHAB CC(C)Cc1nc2oc3c(NC[C@H](C)O)ncnc3c2c2c1COC(C)(C)C2 2209964 NYPCSTJWJYZQKY-LBPRGKRZSA-N 384.480 3.614 0 40 GHAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccn1 2220376 KKXZDGVZKIIFBW-UHFFFAOYSA-N 394.287 3.915 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 2626846 BDPNGTILKZPIDQ-QHCPKHFHSA-N 393.487 3.698 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)c1 2652756 RDESLABHOSODKJ-SFHVURJKSA-N 394.924 3.898 0 40 GHAB COc1cccc2c(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc12 2712183 YGMFHXVJJJCNPP-UHFFFAOYSA-N 392.333 3.547 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2CCCCCC2)cc1 3320385 QCSLGBYZEIHCPM-UHFFFAOYSA-N 379.456 3.785 0 40 GHAB COc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)c(OC)c1OC 3333447 KIJMOPYYLYSVEF-UHFFFAOYSA-N 390.524 3.631 0 40 GHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C)cc1 3429031 KQNPDNBYWKYVGR-SFHVURJKSA-N 390.936 3.816 0 40 GHAB Cc1cc(C)n2nc(S[C@H](C)C(=O)c3ccc(Br)cc3)nc2n1 3449934 INLMEUQSFDNSLP-LLVKDONJSA-N 391.294 3.867 0 40 GHAB Cn1nnnc1SCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 3467636 LXOKBCRCIGVKPO-UHFFFAOYSA-N 391.909 3.746 0 40 GHAB COC(=O)c1ccc(OC(=O)/C=C/c2cc(Br)ccc2F)cc1 3560607 WALWKOZDRNFERX-RUDMXATFSA-N 379.181 3.994 0 40 GHAB CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2C1=O 3615666 FXSUIRJXVDZQDM-UHFFFAOYSA-N 386.835 3.997 0 40 GHAB Cc1ccccc1[C@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(=O)C(C)C 4036036 HXWJMXJZXCLTPE-HXUWFJFHSA-N 399.516 3.700 0 40 GHAB COc1ccc(C(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)cc1 4164254 NHBNVMWDHQQXIY-UHFFFAOYSA-N 376.441 3.775 0 40 GHAB O=C1[C@@H]2[C@@H](c3cccc(Cl)c3)N3CSC[C@@H]3[C@@H]2C(=O)N1c1ccccc1 4399615 KRCZASBHGOCUQV-VSZNYVQBSA-N 384.888 3.575 0 40 GHAB C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 4541179 FHIAICALTPJHJP-CQSZACIVSA-N 394.393 3.948 0 40 GHAB CCNC(=S)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1C 4867776 GGOWSNXHZHERQJ-UHFFFAOYSA-N 383.926 3.756 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccc(OC(F)(F)F)cc1 4941556 STTLJKAUQQPTMW-UHFFFAOYSA-N 396.350 3.761 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 5199017 HTKZQCYQQBUGLE-POZUXBRTSA-N 392.455 3.873 0 40 GHAB O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccco1 5375299 IYOPFEVKIBFGRZ-UHFFFAOYSA-N 388.470 3.735 0 40 GHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1ccccc1O 5784517 HXVQVKVWSXHUAM-UHFFFAOYSA-N 397.349 3.995 0 40 GHAB Brc1cc2c(cc1CSc1nnc3ccccn13)OCCO2 6114861 IJHALFVDHDDJHV-UHFFFAOYSA-N 378.251 3.555 0 40 GHAB COc1ccc(NC(=S)NC(=O)c2ccccc2OC)cc1Br 6275300 XLHXMDBKZSVLGN-UHFFFAOYSA-N 395.278 3.593 0 40 GHAB C[C@@H]1CCC[C@@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H]1C 6435571 ZJJRCYIMEZXIEK-XJKCOSOUSA-N 381.314 3.510 0 40 GHAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc2c(c1)CCC2)C(C)C 6649311 BSNQYMGKKIAHMS-NRFANRHFSA-N 380.488 3.967 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 6905568 SXJDEERQEZBHCT-UHFFFAOYSA-N 398.422 3.596 0 40 GHAB COc1ccccc1-n1nnnc1S[C@H](C)c1nnc(-c2ccc(F)cc2)o1 7063293 DGNCBZXLEKWGHD-LLVKDONJSA-N 398.423 3.713 0 40 GHAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CS2 7306445 FHJYCCGYFYVRRF-FZMZJTMJSA-N 378.803 3.751 0 40 GHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc2c(c1)OCO2 7386278 WUFZKULLCIEUJR-UHFFFAOYSA-N 390.420 3.737 0 40 GHAB CC(=O)Nc1cccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3C=O)o2)c1 7610257 ANVSEKCRSNVFBH-UHFFFAOYSA-N 384.373 3.567 0 40 GHAB CC(=O)Nc1cccc(C(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1 7706818 MAJRKDURYUZOOS-CQSZACIVSA-N 398.484 3.719 0 40 GHAB Cc1nc(C)c(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)s1 7813905 NLBIRQDBAFFJAX-UHFFFAOYSA-N 388.445 3.597 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N1CCCC[C@H]1c1nc2ccccc2s1 8076253 RKZPHMUVBBWHOW-INIZCTEOSA-N 393.468 3.958 0 40 GHAB CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1cccc(Cl)c1 8119960 UZJUQWOSCULQMD-UHFFFAOYSA-N 390.274 3.645 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(O[C@H](C)C(=O)NCc2ccco2)cc1 8328231 RDMFDCMVLOJRQO-OAHLLOKOSA-N 394.427 3.624 0 40 GHAB COc1ccc(Br)cc1CNn1c(-c2ccncc2)n[nH]c1=S 8493041 WQWCERCLWRVBNT-UHFFFAOYSA-N 392.282 3.517 0 40 GHAB CC(=O)N[C@@H](C(=O)Nc1nc(-c2ccc(Br)cc2)cs1)C(C)C 8778121 BGRNWXFDTJLEIB-CQSZACIVSA-N 396.310 3.672 0 40 GHAB CCC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2C1 8977006 UIFYXOYXMKXJKI-UHFFFAOYSA-N 386.517 3.906 0 40 GHAB COc1cc(C(=O)N2CCC2)cc(Br)c1OCc1ccccc1 9583047 ZPPXNESTNSGLJK-UHFFFAOYSA-N 376.250 3.883 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(-n2cccc2)c1 9744163 FRUQAIATYAULMW-UHFFFAOYSA-N 395.484 3.514 0 40 GHAB CCOc1ccc(N2C[C@H](c3nc(-c4ccc(OC)cc4)no3)CC2=O)cc1 10336538 GCVOJZZOVCWKNG-OAHLLOKOSA-N 379.416 3.664 0 40 GHAB COc1cccc(CCCNC(=O)c2ccc(I)cc2)c1 10542427 NBEFLWCNJZJVKJ-UHFFFAOYSA-N 395.240 3.662 0 40 GHAB CCn1c(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)nc2ccccc21 11547639 BXHAEXXWFWNRSX-UHFFFAOYSA-N 390.491 3.834 0 40 GHAB O=C(NCC1(c2ccccc2)CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 12101178 FUYQSOMMEXCINW-UHFFFAOYSA-N 393.455 3.925 0 40 GHAB O[C@H](CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 12292388 CRMSHVIQUFDNBL-GOSISDBHSA-N 383.385 3.862 0 40 GHAB O[C@@H](COCc1ccccc1Cl)CN1CCN(c2cccc(Cl)c2)CC1 12550707 LFEJJQIUHCQEEP-LJQANCHMSA-N 395.330 3.693 0 40 GHAB C[C@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1Cl 12745398 XTMXYLYLPIFSMT-DLBZAZTESA-N 399.922 3.868 0 40 GHAB C[C@H](c1ccc(F)cc1)N(C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl 12758233 LXKJLXRGLOWAKI-CQSZACIVSA-N 391.874 3.569 0 40 GHAB COc1cc(CC(=O)Nc2nnc(C3CCCCC3)s2)cc(OC)c1OC 12922082 FOTXFZVOARBDNW-UHFFFAOYSA-N 391.493 3.793 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1C[C@H](C)C[C@@H](C)C1 13532673 WAUKQBSIVYNPOP-MCIONIFRSA-N 389.471 3.789 0 40 GHAB Cc1ccc(NC(=O)Nc2nc(CC(=O)NCc3ccccc3)cs2)cc1 15880610 MUSAPGZDGANUAY-UHFFFAOYSA-N 380.473 3.954 0 40 GHAB CCc1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccc(F)cc2)o1 15881405 MXQDDNHQLXOKLH-UHFFFAOYSA-N 378.407 3.709 0 40 GHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Nc1ccccc1 18171968 VMFJXJOMCMKDJK-UHFFFAOYSA-N 385.464 3.965 0 40 GHAB Cc1ccccc1-c1ncc(CN2CC[C@@]3(CCc4ccccc4C(=O)N3)C2)cn1 19237548 KMQBMOCXFHMHFY-VWLOTQADSA-N 398.510 3.773 0 40 GHAB CCCC(=O)N1[C@H]2CC[C@@H]1c1cnc3cc(-c4ccccc4OC)nn3c1C2 19501013 DQJJMRYBRHSOFA-KBXCAEBGSA-N 376.460 3.793 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)n[nH]2)cc1 19660055 AJQFXOSCVXGOSS-UHFFFAOYSA-N 391.406 3.722 0 40 GHAB CCc1ccccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(F)cc1 20060463 WAEFXQIYTIOUAF-QZTJIDSGSA-N 397.479 3.686 0 40 GHAB CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(Cl)cc2)c2ccccc21 20730137 IDDVQBWZOOSVLS-HXUWFJFHSA-N 378.819 3.780 0 40 GHAB Cc1nc(C2(NS(=O)(=O)c3ccc(Cl)s3)CCCCCC2)no1 24689051 ZXBPSUXKOPVJNM-UHFFFAOYSA-N 375.903 3.621 0 40 GHAB O=C(NCc1ccc(F)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 24926176 NZFGEKPABMXSDD-UHFFFAOYSA-N 381.373 3.876 0 40 GHAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)C1(c2cccc(F)c2)CCC1 26560065 IHBPUDXEXGIYNS-UHFFFAOYSA-N 392.356 3.625 0 40 GHAB Cc1cc(NC(=O)[C@H](C)n2nc(C(F)(F)F)cc2C)n(Cc2ccccc2)n1 28246527 SGKRUDGITASMPS-AWEZNQCLSA-N 391.397 3.963 0 40 GHAB Cc1cc(Br)cc(C)c1OCC(=O)Nc1nnc(C2CC2)s1 28284407 KVDRIGIQDDMYRH-UHFFFAOYSA-N 382.283 3.812 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)c1ccc(-n2cnc3ccccc3c2=O)cc1 30057373 NGVCVRRLPOVZPL-UHFFFAOYSA-N 377.350 3.916 0 40 GHAB CSCC[C@H](NC(=O)c1cc(C)nc2onc(C)c12)c1nc2ccccc2[nH]1 30911634 FUBRBSGGXNTIRA-INIZCTEOSA-N 395.488 3.940 0 40 GHAB Cc1ccc(OCCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c(C)c1 32459331 YFDOKRQWFBURCE-UHFFFAOYSA-N 377.488 3.976 0 40 GHAB CC[C@@H](C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)n1nc(C)cc1C 36752596 CKKYWLFELGSYOL-INIZCTEOSA-N 377.872 3.582 0 40 GHAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCC1(c2ccccc2)CC1 40034335 BOAGXFOKSLLJKV-OAHLLOKOSA-N 386.492 3.734 0 40 GHAB c1cc(-c2nnc3n2[C@H](CSc2ccc4c(c2)OCCO4)CS3)ccn1 40063054 UZOQGULSTRYQEX-CYBMUJFWSA-N 384.486 3.550 0 40 GHAB O=C(NCc1ccc(OC(F)F)cc1)c1cccc(NC(=O)c2cccnc2)c1 40086812 IMGZFSZHVMPXNA-UHFFFAOYSA-N 397.381 3.865 0 40 GHAB Cc1ccc(NC(=O)C2CCN(C(=O)NCc3ccco3)CC2)c(Cl)c1 40128347 YBTDUXIGBNUHNS-UHFFFAOYSA-N 375.856 3.802 0 40 GHAB O=C(Nc1ccc(-n2cccn2)c(F)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 40151700 PWGPPBRKCHNLAU-AWEZNQCLSA-N 398.463 3.564 0 40 GHAB COc1cccc(-c2ccc(=O)n(CC(=O)c3c(C)n(C)c4ccccc34)n2)c1 44893597 MTADUMGNGZMZNN-UHFFFAOYSA-N 387.439 3.602 0 40 GHAB CN(C)[C@H](CNS(=O)(=O)c1c(Cl)cccc1Cl)c1cccs1 47031689 SQSDBOUAJJPHSZ-GFCCVEGCSA-N 379.334 3.636 0 40 GHAB O=C1NC2(CCCCCCC2)C(=O)N1C[C@@H](O)c1ccc(C(F)(F)F)cc1 51257560 YKXVIBJUZKAZDD-OAHLLOKOSA-N 384.398 3.774 0 40 GHAB O=C(NCc1nc(-c2ccccc2)cs1)c1nc(N2CCCC2)ncc1Cl 52821160 SMJILDGSWBWXJL-UHFFFAOYSA-N 399.907 3.784 0 40 GHAB CCOC(=O)c1c(NC(=O)CNCc2cccc(Cl)c2)sc(C)c1C 57911344 GKNMJXQAAKKKOG-UHFFFAOYSA-N 380.897 3.923 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)CCCn2cc(Br)cn2)cc1 58064179 ZHYZFIVXPNGORN-KRWDZBQOSA-N 392.297 3.798 0 40 GHAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)N(C)Cc2ccccc2OC(F)(F)F)C1 58155771 LTMZFMRMGZBBPA-HUUCEWRRSA-N 387.446 3.847 0 40 GHAB COCCOc1cc(NC(=O)Cn2c(C3CC3)nc3ccccc32)ccc1OC 58325012 PKNRSTABPLDBOY-UHFFFAOYSA-N 395.459 3.586 0 40 GHAB Cc1ccc(N2CC[C@@H](C(=O)N3CCC(n4c(C)ccc4C)CC3)C2=O)cc1C 65522393 ATHLAQCVWNBCMZ-QFIPXVFZSA-N 393.531 3.938 0 40 GHAB COc1ccccc1[C@@H]1CCCN1C(=O)C[C@H]1Sc2ccccc2NC1=O 68814361 IOYJWGIXLCUETE-QFBILLFUSA-N 382.485 3.862 0 40 GHAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CCCCC2 71286247 WQGBNEFINQMKDO-XLIONFOSSA-N 384.520 3.586 0 40 GHAB Cc1cccc(Nc2ccc([C@H]3CCCN3C(=O)c3cn(C)nc3C)nc2)n1 72353085 PIKLVPRCERKVGT-LJQANCHMSA-N 376.464 3.548 0 40 GHAB COc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3ccccn3)C2)cc1 72362241 OKEHNCKPEQZSOD-INIZCTEOSA-N 390.443 3.692 0 40 GHAB COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2Cc2ccccn2)c1 72376877 LHTUETFGSFGLMS-FQEVSTJZSA-N 375.476 3.857 0 40 GHAB Cn1nccc1C(=O)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72384220 HHFDQKKRMRRRSJ-MRXNPFEDSA-N 383.839 3.633 0 40 GHAB CN(CC(=O)N1CCn2c1nc1ccccc12)c1nc2c(Cl)cccc2s1 77196738 GTVGXIMUMBKMED-UHFFFAOYSA-N 397.891 3.782 0 40 GHAB CC(C)n1c([C@H](C)NC(=O)c2ccc(CS(C)(=O)=O)cc2)nc2ccccc21 78821204 MLOPYBLGZYXURD-HNNXBMFYSA-N 399.516 3.653 0 40 GHAB Cc1noc(C)c1CN1CCC2(CC1)C[C@H](CC(=O)NC1CC1)c1ccccc12 96052983 ZUTNPKCCPRESHA-SFHVURJKSA-N 393.531 3.981 0 40 GHAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nc(-c2ccccn2)cs1 96118776 XEMKNRMRIKBHCN-UHFFFAOYSA-N 391.456 3.757 0 40 GHAB NC(=O)c1cccc2c1CCCN2C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 97392572 XHHLGXWZKTVDLR-JKSUJKDBSA-N 388.389 3.887 0 40 GHAB C[C@H](NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 106372273 GVCUWJSJZOUHHD-PXNSSMCTSA-N 398.503 3.974 0 40 GHAB CC[C@@H]1C=CC[C@H]2C(=O)N(CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 136327707 LQRUMGGMHSEQQW-SIVJFFJCSA-N 381.259 3.519 0 40 GHAB Cc1ccc(-c2nnn(CC(=O)Nc3cc(Cl)c4oc(C)cc4c3)n2)cc1 141560570 ZQHOMNZIQAAKSO-UHFFFAOYSA-N 381.823 3.995 0 40 GHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 219600568 LXYPZFRARKUWPY-IBGZPJMESA-N 395.459 3.870 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 222534266 LPZMSEZOLIMSDT-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(O)c(OC)c3)N21 222653942 IALOODGXRPQBSF-DOPJRALCSA-N 385.489 3.784 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 222802198 BMSPGOXHNRJHRB-NRFANRHFSA-N 382.504 3.570 0 40 GHAB COc1cccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223025570 RIGOVVFBSRRVIW-KRWDZBQOSA-N 382.504 3.570 0 40 GHAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 223638605 QKKONNQNPLNDSG-AWEZNQCLSA-N 393.505 3.875 0 40 GHAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1 224031839 QENONRVZZIZWKZ-JOCHJYFZSA-N 396.531 3.832 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224046424 NKONQTKYIAZVBH-SFHVURJKSA-N 394.515 3.714 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1N(C)S(=O)(=O)c1ccccc1 224297839 UHUJMQOTMVAWMM-MRXNPFEDSA-N 386.517 3.692 0 40 GHAB Cc1cc(NC(=O)c2cncc(Br)c2)cc(Br)c1O 226243447 UDSQOVRPKOOQJQ-UHFFFAOYSA-N 386.043 3.873 0 40 GHAB Cc1oncc1CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 238940613 VYLPPKYNSLLPTG-UHFFFAOYSA-N 389.499 3.849 0 40 GHAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 257205911 BBAPRSUDDIKDGC-LJQANCHMSA-N 380.423 3.794 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)s1 306124500 BRRNDSBYVFTYIH-INIZCTEOSA-N 395.532 3.719 0 40 GHAB O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 306124812 CAAXBWUSVDOEJC-RXVVDRJESA-N 383.444 3.841 0 40 GHAB Cc1ccc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)s1 306135470 ORXZMWIGRJASHV-OALUTQOASA-N 398.557 3.704 0 40 GHAB CSc1nc(N2CCCC2)c2cc(C(=O)NCc3ccccc3)sc2n1 408624095 UJQLXHZSHSRHQV-UHFFFAOYSA-N 384.530 3.943 0 40 GHAB COC(=O)C[C@H]1CC[C@H](c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)CC1 575332666 NKBKOPOAVYXFPV-WKILWMFISA-N 381.476 3.696 0 40 GHAB Cc1cc(C)n([C@H](CNC(=O)c2ccccc2Br)c2ccco2)n1 575614410 RWDKZUZPSTWOIV-MRXNPFEDSA-N 388.265 3.875 0 40 GHAB COc1c(F)cc(F)cc1NC(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C 581902101 BQOQXKRSVHAQQO-LLVKDONJSA-N 391.422 3.831 0 40 GHAB CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@@H]1C[C@H]1C)C2 585106659 DRIFFLSOLUZIPY-PMAPCBKXSA-N 378.520 3.822 0 40 GHAB CN1CCC[C@H](CNC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)[C@@H]1c1cccs1 664214214 WBVQMAARQCXDHX-JNHRPPPUSA-N 399.535 3.908 0 40 GHAB O=C(NCc1ccc(COc2ccc(F)cc2)cc1)N1CCC(O)(C2CC2)CC1 1615556417 YJYUCAMUOMLIMR-UHFFFAOYSA-N 398.478 3.851 0 40 GHAB Cc1ccccc1OCC(=O)N1[C@H]2CC[C@H]1CC(n1cc(C(C)(C)C)nn1)C2 1775976265 XLAFAPIZRDPIME-IRXDYDNUSA-N 382.508 3.658 0 40 GHAB Cn1cc(-c2ccc(CCNC(=O)NC34CC5CC(CC(C5)C3)C4)s2)cn1 1889253727 ITAWUKKDXBMFMM-UHFFFAOYSA-N 384.549 3.959 0 40 GHAB Cc1cc2cc3c(cc2n2c(SCC(=O)c4ccccc4)nnc12)OCO3 877461 XKQBNZGEAWFVMG-UHFFFAOYSA-N 377.425 3.895 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc(Cl)c2)cc1 976465 SXAZSZICPQLGJE-UHFFFAOYSA-N 388.880 3.969 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@@H]1c1ccncc1 955240 JVVWMMVBLSCOLF-QGZVFWFLSA-N 395.850 3.846 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1)c1ccc(F)cc1 1364302 XTHJHQVXMHPUIU-OAHLLOKOSA-N 387.436 3.831 0 40 GHAB COCCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1 4161250 MDGMUBMIMVMXGF-UHFFFAOYSA-N 388.537 3.523 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCCc2nc(-c3cccc(C)c3)no2)cc1 4433756 BRHOKZGDPTWGMN-UHFFFAOYSA-N 378.432 3.965 0 40 GHAB COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)O[C@@H]1CC[C@@H](C)[C@@H](C)C1 4595252 HUYGQRAVZXPWSL-FCIKYMEBSA-N 388.533 3.856 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)cc1 6656766 KBCRVESRZRQZIH-UHFFFAOYSA-N 378.837 3.564 0 40 GHAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C(C(=O)OC(C)C)=C(C)N2 6952856 MKPLVRFJZZVXCF-ZDUSSCGKSA-N 391.518 3.726 0 40 GHAB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1N1CCOCC1 6963827 DZPYCRYCUQGMFS-NFYBBCHUSA-N 387.549 3.921 0 40 GHAB CCOc1cc(/C=C/C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OC 7954325 BDNWEYHYYFNQGF-VZUCSPMQSA-N 384.451 3.595 0 40 GHAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)c1C 24824581 IWGPIUDDZOGYGC-UHFFFAOYSA-N 396.472 3.555 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)o1 100479620 MSBCKQOUAYBQLU-GYSYKLTISA-N 393.896 3.796 0 40 GHAB CCC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 8778183 NODPLDQTWKWMRO-CYBMUJFWSA-N 386.945 3.679 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(N2CCOCC2)cc1 12534494 KBQAYUQRMPXVQQ-UHFFFAOYSA-N 377.444 3.750 0 40 GHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2nc(C3CC3)cs2)CC1=O 25559629 JMOBUEJWOIKRAU-NSHDSACASA-N 391.880 3.674 0 40 GHAB CCn1c(SCC(=O)Nc2c(C)cccc2Cl)nc2cc(C)[nH]c2c1=O 57522052 KHRJTQPFXWKXKD-UHFFFAOYSA-N 390.896 3.746 0 40 GHAB O=C(CC(c1ccccc1)c1ccccc1)NCc1nnnn1-c1ccccc1 9570663 GLWKRVLKMPNNFG-UHFFFAOYSA-N 383.455 3.501 0 40 GHAB Cc1ccc(C)c(SCC(=O)OCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 103076238 IGIORBKYTVMXGL-BSDSXHPESA-N 375.534 3.880 0 40 GHAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cccc(F)c4)c3)nn12 10010208 PACCOYGOUOHESI-UHFFFAOYSA-N 397.435 3.815 0 40 GHAB O=C(COC(=O)c1ccc(F)cc1F)Nc1ccc2c(c1)OC1(CCCC1)O2 25039509 PBZNTQWISUBTLF-UHFFFAOYSA-N 389.354 3.802 0 40 GHAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2F)cc1 3239162 JCSWZUJBWJPCMU-UHFFFAOYSA-N 380.366 3.746 0 40 GHAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1nc(-c2ccccn2)cs1 12607269 LERQSSQMMLKNQA-AWEZNQCLSA-N 378.457 3.735 0 40 GHAB CCOc1ncccc1C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 58217264 ANYVCDJQCHOYPJ-UHFFFAOYSA-N 375.856 3.866 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCCCO2)c1ccccc1 12629631 WANZQZWNHLRTJO-CRWWQRIJSA-N 389.455 3.500 0 40 GHAB CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1=O 10461923 FOXNERNSNFYLQI-MRXNPFEDSA-N 397.450 3.665 0 40 GHAB COc1ccc(SC)c(OC)c1C(=O)Nc1cccc(N2CCOC2=O)c1 95462911 JHHMXAARHWSIOE-UHFFFAOYSA-N 388.445 3.635 0 40 GHAB CCCCCCn1c(N)c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc21 2323967 CFNGWOMTIJWHID-HNNXBMFYSA-N 395.507 3.656 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NC[C@@H](c2cccs2)N2CCOCC2)o1 36694609 FFICGMHTZDVYHL-TVBMRNDXSA-N 386.517 3.667 0 40 GHAB O=C(CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1)Nc1ccccc1-c1ccccc1 48375322 OAHJBWJJHBLPNW-SFTDATJTSA-N 394.515 3.952 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1cc(F)ccc1Br)c1cccs1 45793632 XARGXEBJTCQWQE-GFCCVEGCSA-N 386.242 3.684 0 40 GHAB COC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 60387744 DACVRVGZWGQNPZ-VPWXQRGCSA-N 386.517 3.692 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccc(C)c3C)CC2)c1 107613810 LUXJPBALJHWKIW-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB Cc1cccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@H]4N2Cc2cnn(C)c2)c1 100141202 IZYRSJSXUHPEAL-WIYYLYMNSA-N 384.487 3.700 0 40 GHAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCCN1CCCCCC1 10111334 WSUXTYLUGBNHSQ-UHFFFAOYSA-N 379.353 3.679 0 40 GHAB NC(=O)NCCCC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 2620475 MECPFLQMBYKKDB-INIZCTEOSA-N 398.894 3.518 0 40 GHAB O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(CO)cc1 3531556 UCWPGQDRQLZYAB-HXUWFJFHSA-N 379.387 3.855 0 40 GHAB Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1C 12914252 OLXLSPWCOFNXCT-MRXNPFEDSA-N 395.455 3.690 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)cc1 13042379 XDBCCOSLXCNWOU-UHFFFAOYSA-N 375.471 3.935 0 40 GHAB CCn1nc(NS(=O)(=O)c2ccc(OC)cc2)c2cc3ccc(C)cc3nc21 9014098 LXLPHHXCZXLTSS-UHFFFAOYSA-N 396.472 3.722 0 40 GHAB CCOC(=O)[C@H](C)Sc1nnc(C(F)(F)F)n1Cc1ccc(F)cc1 4107133 ICCOVKOZAUGTHC-VIFPVBQESA-N 377.363 3.528 0 40 GHAB COc1ccc(-c2cs/c(=N\S(=O)(=O)c3cccc4cccnc34)[nH]2)cc1 28225780 WDPZYMGSJNZQRP-UHFFFAOYSA-N 397.481 3.590 0 40 GHAB Cc1cc(=O)oc2cc(OC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)ccc12 5321590 FVRBKGRNYWHERQ-UHFFFAOYSA-N 387.432 3.654 0 40 GHAB biogenic Cc1ccc(C)c(OCCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 14171462 MTAJKMWSHRQMHM-GOSISDBHSA-N 396.487 3.620 0 40 GHAB CC[C@@](C)(CCCNS(=O)(=O)/C=C/c1ccc(Cl)cc1)C1OCCO1 95406750 SZDAKIHMRRZGAF-MXHVWWQHSA-N 387.929 3.800 0 40 GHAB Cc1cccc(C)c1-n1nnnc1S[C@H](C(=O)N1CCCC1)c1ccccc1 5564912 LPFMYMWGNWGHFA-IBGZPJMESA-N 393.516 3.735 0 40 GHAB C[C@@H](OC(=O)c1ccc(OCc2cscn2)cc1)C(=O)N(C)c1ccccc1 14753415 BMHBUVKPGMONJZ-OAHLLOKOSA-N 396.468 3.930 0 40 GHAB COC(=O)c1ccc2nc(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1 5658816 BFKJUTLTRGUWMK-UHFFFAOYSA-N 377.444 3.910 0 40 GHAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCCNC(=O)NC1CCCCC1 14848742 UDOBELFHZNOPOP-MRXNPFEDSA-N 375.513 3.593 0 40 GHAB CNC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 9477904 IAAQSUMTRVZMPE-UHFFFAOYSA-N 377.448 3.502 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)N1CCCCC1 7095039 JDIIEMKCBVRLTB-UHFFFAOYSA-N 392.528 3.963 0 40 GHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3c(C)cccc3C)c2C)cc1F 67323590 VHTIVZVRNCYZAC-UHFFFAOYSA-N 395.438 3.542 0 40 GHAB COc1ccc(-c2cc(NC(=O)CNC(=O)c3ccccc3)ccc2OC)cc1 7638839 NDMZYIRYKJUEFS-UHFFFAOYSA-N 390.439 3.739 0 40 GHAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 7734516 WPRVZDJEKVPAPQ-YPMHNXCESA-N 388.817 3.882 0 40 GHAB Cc1c(Cl)c(COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)nc2ccccc12 7783484 DQSFPITYVQAFQK-KXBFYZLASA-N 390.892 3.694 0 40 GHAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(-c2ccc(Cl)cc2)o1 7990308 XMRKPOJWIQBBPT-UHFFFAOYSA-N 393.830 3.695 0 40 GHAB COc1cccc(N2C[C@H](C(=O)Nc3nc(-c4ccccc4)cs3)CC2=O)c1 8248088 YZNTXZGFQPMTBA-OAHLLOKOSA-N 393.468 3.810 0 40 GHAB COc1cccc(-n2ccnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)c1 17714524 DLSKUYOAXLGNTH-LJQANCHMSA-N 379.485 3.993 0 40 GHAB C[C@H](Sc1nnc(Nc2ccccc2Cl)s1)C(=O)NC[C@@H]1CCCO1 8745617 QQUMMQJFHOKTCH-QWRGUYRKSA-N 398.941 3.711 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1C 408620639 PZEHOODYIOCJLA-KRWDZBQOSA-N 380.554 3.687 0 40 GHAB CN(C)c1c(F)cc(NC(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)cc1F 89322821 NEWYHGNMEOTSSX-LBPRGKRZSA-N 385.823 3.877 0 40 GHAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2c(C)cc(OC)cc2C)c1 62187906 NQLXRQUDVNEDSP-UHFFFAOYSA-N 383.853 3.553 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(C)cc(=O)[nH]2)c2ccccc2)c1 67194071 SFFBBMQRZMLBBY-LJQANCHMSA-N 393.468 3.753 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 306134512 NPOOKVZSJPFBSU-LJQANCHMSA-N 398.470 3.515 0 40 GHAB CC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccccc1 217475666 XEAFOHNBYGRISO-UONOGXRCSA-N 376.478 3.635 0 40 GHAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccccc2OC)cc1OCC 219556583 RKOZOCRIQODGLO-KRWDZBQOSA-N 387.476 3.966 0 40 GHAB Cc1ccccc1CN1CC=C(c2nc(C)c(C)c(N3CCOCC3)n2)CC1 72339598 XCZZAQPBYGYOQT-UHFFFAOYSA-N 378.520 3.528 0 40 GHAB O=C(c1cccc2nccnc12)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 72334704 REDCTVYKJPIJAE-KRWDZBQOSA-N 396.454 3.502 0 40 GHAB COc1ccc(-c2cccc([C@@H]3CCCN(C4CCN(C(C)=O)CC4)C3)n2)cc1 72350196 OBYSDCZMCPJKRO-HXUWFJFHSA-N 393.531 3.948 0 40 GHAB Cc1ccc(S[C@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 31852027 ZSFVBRAWTMVMMX-QGZVFWFLSA-N 398.528 3.549 0 40 GHAB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccc(Br)o1 35043119 XAQULFCBWJGGIG-XFFZJAGNSA-N 393.218 3.823 0 40 GHAB O=C(N[C@H]1CCc2ccccc21)c1cc(=O)[nH]c2ccc(Br)cc12 71328475 FYXILWZEVGMGAU-INIZCTEOSA-N 383.245 3.708 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCSCc2ccc(C)cc2)c(C)c1 223323674 SLCVLTVAWOZYIJ-UHFFFAOYSA-N 379.547 3.832 0 40 GHAB COc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)cc1 224135960 IGIWXZLBXOZBKG-IBGZPJMESA-N 396.531 3.736 0 40 GHAB COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1COC(C)C 224429438 RXKVSAOVCLLKQJ-UHFFFAOYSA-N 386.467 3.722 0 40 GHAB C[C@H]1CCCCN1c1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cn1 224046081 GRYRUJDDABLSHK-AWEZNQCLSA-N 384.505 3.676 0 40 GHAB CCC(CC)N(CCOC)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 40155876 VNLVYHAYZOEXIV-UHFFFAOYSA-N 387.480 3.879 0 40 GHAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(NC(N)=O)cc1 45781574 BOOWTPLGWSSJIJ-CQSZACIVSA-N 378.432 3.642 0 40 GHAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)O)o1 222758457 BLNMZYDDAONELT-ZWKOTPCHSA-N 379.441 3.642 0 40 GHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225705593 ZEJYWGOMULWFRE-UHFFFAOYSA-N 392.502 3.762 0 40 GHAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccccc1Cl 222902844 OUKBNFJHEQYQHU-CQSZACIVSA-N 376.859 3.923 0 40 GHAB CCOc1ccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cc1F 225757990 UGPGMXYTAYKXAM-UHFFFAOYSA-N 392.477 3.826 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3SC)ccc21 225691540 HNWWJWHQUREOIC-UHFFFAOYSA-N 380.516 3.606 0 40 GHAB CCc1cccc(NC(=O)N2CC[C@@]3(C[C@H]3C(=O)NCc3cccs3)C2)c1 96227697 HYSWCVSBPHBIJR-GHTZIAJQSA-N 383.517 3.871 0 40 GHAB CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc(C(F)(F)F)cc3)n2)cc1OC 95534290 LQOPNQWUWHHFDR-INIZCTEOSA-N 392.381 3.946 0 40 GHAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(C1CCCCC1)CC2 96319725 JCOVILCFVSITPQ-XFQXTVEOSA-N 398.551 3.583 0 40 GHAB Cc1c(C(=O)Nc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cnn1CC(C)C 501846520 YFXCNCPQSXJAIG-UHFFFAOYSA-N 392.385 3.904 0 40 GHAB O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(C(F)(F)F)nc1 26363280 XZFPBKAABKBWTL-UHFFFAOYSA-N 389.333 3.876 0 40 GHAB O=C(c1ccccc1NCc1cc(F)ccc1OC(F)F)N1CCC[C@H](O)C1 656641910 JCJILJUSLUPHMA-HNNXBMFYSA-N 394.393 3.636 0 40 GHAB Cc1ccn(-c2ccccc2CNC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)n1 660930128 TXFSIRDFAITBDR-SFTDATJTSA-N 390.487 3.553 0 40 GHAB CCCCC[C@H](O)CC[C@@H]1[C@H](O)C[C@H]2Cc3c(cccc3OCC(=O)O)C[C@@H]12 78312316 PAJMKGZZBBTTOY-WVXKDWSHSA-N 390.520 3.583 0 40 GHAB biogenic O=C(COc1ccc(F)cc1Cl)NC[C@H]1CCN(c2ccc(F)cc2)C1 57059006 OVYNRGRWSSPOAN-CYBMUJFWSA-N 380.822 3.640 0 40 GHAB O=C(/C=C/c1c(Cl)nc2sccn12)N1CCN(c2ccccc2F)CC1 3231142 XHRXFIFLQJCDQN-AATRIKPKSA-N 390.871 3.550 0 40 GHAB COC(=O)c1c(NC(=O)C2CC2)sc(C(=O)Nc2ccccc2F)c1C 5007113 VUVXCNJWGKXZMB-UHFFFAOYSA-N 376.409 3.583 0 40 GHAB CCCCc1ccc(-n2nnnc2SCC(=O)Nc2cccc(OC)c2)cc1 5015576 UNITYLQKNUTRBU-UHFFFAOYSA-N 397.504 3.744 0 40 GHAB Cc1sc2nc(SCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2c1C 5237748 QLYSHGFCSMKMPR-UHFFFAOYSA-N 379.894 3.986 0 40 GHAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H](C)NC(=O)c1ccco1 12337933 YYELJYIGBRCKOD-LBPRGKRZSA-N 378.350 3.740 0 40 GHAB CCC(CC)c1nnc(NC(=O)C23C[C@@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)s1 18102957 XCLAXQSSYYLXFB-LWYUSKRHSA-N 390.553 3.855 0 40 GHAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)[C@H]3CC=CCC3)CC2)C1 19019783 RNPTVWCJCLFMMV-RNQSCQIESA-N 396.531 3.924 0 40 GHAB Cc1nnnn1-c1ccc(CC(=O)N[C@@H](C)c2cc3cc(Cl)ccc3o2)cc1 19288432 RRTRXZAGYUOBKE-LBPRGKRZSA-N 395.850 3.790 0 40 GHAB NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CCC2)C1 19344541 ZGTCRXNMZLDWGF-JOCHJYFZSA-N 382.529 3.852 0 40 GHAB CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@H](NC(=O)c2cnccn2)C1 19461656 VEADQKPHEUBWLI-QGZVFWFLSA-N 395.894 3.818 0 40 GHAB CCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 19533269 AQZNOPHEFIWMCT-OAQYLSRUSA-N 390.487 3.958 0 40 GHAB CCn1cc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2)cn1 19687450 GTXROYOZMKXYSH-HXUWFJFHSA-N 376.508 3.763 0 40 GHAB Cc1cc2ncc3c(n2n1)CCN(C(=O)Nc1ccccc1C(F)(F)F)C3 206952895 PBCPSAHSIONSRH-UHFFFAOYSA-N 375.354 3.647 0 40 GHAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220699107 SVFRGRPHFQPFKW-NBOOPKSLSA-N 381.451 3.869 0 40 GHAB O=C1C[C@@H](C(=O)N[C@@H](Cc2ccsc2)c2nccs2)c2ccccc2N1 12226803 XKUFTKHMSHLGMI-ZBFHGGJFSA-N 383.498 3.731 0 40 GHAB O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(-c2ccccc2Cl)no1 19716751 IYJNXJPGRVQBEQ-LBPRGKRZSA-N 399.809 3.669 0 40 GHAB CC1(C)CN(C(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)CC[C@@H]1O 572511426 HWPFVCWLWOPBLA-IBGZPJMESA-N 383.879 3.912 0 40 GHAB Cc1cc(C)c(-c2csc(NC(=O)c3nc4nccc(C)n4n3)n2)cc1C 3413714 LTMDOLCEUQIUFZ-UHFFFAOYSA-N 378.461 3.734 0 40 GHAB O=C(Cc1csc(-c2ccccc2F)n1)N1CCN(c2ccccc2)CC1 11865428 RVRQKCJKTRZOAK-UHFFFAOYSA-N 381.476 3.841 0 40 GHAB O=C(/C=C\c1ccc2c(c1)OCO2)N1CC[C@H](c2noc(-c3cccs3)n2)C1 253473426 UVZITCIWFLKAID-SDQPKGBYSA-N 395.440 3.556 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)NC1CCCC1 4164288 WGGLTOFCVHPAII-UHFFFAOYSA-N 387.896 3.596 0 40 GHAB COc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3C)n2)c1 11693331 AKQMCOAVBWAECP-UHFFFAOYSA-N 377.444 3.646 0 40 GHAB Cc1cc(C(=O)N(CCCN(C)C)c2nc3ccc(Cl)cc3s2)nn1C 12229214 SSSNSIIAJBAMOV-UHFFFAOYSA-N 391.928 3.590 0 40 GHAB O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)C12CC3CC(CC(C3)C1)C2 16838538 WEMKOASPECBGMZ-UHFFFAOYSA-N 380.444 3.903 0 40 GHAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)C3CCC(F)(F)CC3)CC2)n1 1775972390 YVYFVMOVPHVLNH-UHFFFAOYSA-N 381.467 3.530 0 40 GHAB CCOc1cc(C=O)ccc1OCCCSc1nnc(C(C)(C)C)n1C 8731709 KNSZDENVYJXJCD-UHFFFAOYSA-N 377.510 3.885 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(OCC)c(C)cc2C)cc1 16780630 XADKLBDDVIRJRC-UHFFFAOYSA-N 377.462 3.680 0 40 GHAB CC(=O)c1cccc(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)c1 20860031 SLRQICGVSRRRDI-UHFFFAOYSA-N 375.472 3.752 0 40 GHAB COc1cc(OC)cc(-c2nc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)c1 44421809 PNJOXCCYDMZOEF-ZDUSSCGKSA-N 399.834 3.928 0 40 GHAB O=C1NCCCC[C@H]1Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 40033937 DKBSEKRLKLBKBJ-CYBMUJFWSA-N 389.477 3.552 0 40 GHAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 20689594 ILWOTSUUSBVWIQ-CYBMUJFWSA-N 392.908 3.523 0 40 GHAB COc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)CCN4C(C)=O)cs2)cc1 32747503 UHJWVDVEILZRFK-UHFFFAOYSA-N 393.468 3.980 0 40 GHAB CCN(c1ccc(NC(=O)CCn2ncc(=O)c3ccccc32)cc1)C(C)C 32820152 FVXMMFOXJUVVIY-UHFFFAOYSA-N 378.476 3.660 0 40 GHAB COc1ccc(OC)c2c1CN(c1ncc(C(F)(F)F)cc1Cl)C[C@H]2O 32808463 GRAUQWGEVAGOPJ-GFCCVEGCSA-N 388.773 3.825 0 40 GHAB Cc1ccc(SCCNC(=O)CCCn2cnc3ccccc3c2=O)cc1C 21974178 JQCVEHDNARNTTR-UHFFFAOYSA-N 395.528 3.702 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NC[C@H](c2cccs2)N2CCOCC2)o1 22767355 FFICGMHTZDVYHL-IOSPQCCGSA-N 386.517 3.667 0 40 GHAB O=C(CCN1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccccc1F 22932463 JWYKIJGIEDYAJQ-UHFFFAOYSA-N 381.904 3.687 0 40 GHAB COc1ccc(C)cc1NC(=O)CNC(=O)c1occc1COc1ccccc1 23003035 GLQFUKYTPUEWQZ-UHFFFAOYSA-N 394.427 3.544 0 40 GHAB COC(=O)c1ccc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc1 804218 DDQFMAVFUKXELP-UHFFFAOYSA-N 392.440 3.585 0 40 GHAB COc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Cl)c1OC(C)=O 994424 ZWTZGAJSFXPJFM-GHXNOFRVSA-N 377.805 3.680 0 40 GHAB Cc1nc(N2CCN(C(=O)c3ccccc3C)CC2)c2c(C)c(C)sc2n1 1377223 AURVHKUTFYYETA-UHFFFAOYSA-N 380.517 3.887 0 40 GHAB Cc1ccc(S(=O)(=O)C[C@]2(Br)CCc3ccccc3C2=O)cc1 1563784 HLFWFYVMWBSMLM-GOSISDBHSA-N 393.302 3.732 0 40 GHAB CCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O 2095389 OYZRSSFZJCMFLQ-NZQKXSOJSA-N 387.483 3.653 0 40 GHAB biogenic Cc1ccc(OS(=O)(=O)c2ccc(I)cc2)c(C)c1 2182580 RKQGKXYRXZSLPM-UHFFFAOYSA-N 388.226 3.676 0 40 GHAB CCOC(=O)c1cnc(-n2cc(C)cn2)nc1Nc1cccc(C(F)(F)F)c1 2399315 XZTDREWRKNXKAT-UHFFFAOYSA-N 391.353 3.910 0 40 GHAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NC4=NCCS4)cc3)ccc12 2625584 PXGQBLUJUVQONP-UHFFFAOYSA-N 394.452 3.513 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(NCc3ccccc3)s2)C1 3291758 UARSDRRQMSOSQT-ZIAGYGMSSA-N 376.551 3.747 0 40 GHAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1n[nH]c(=O)c2ccccc12 3476578 KXVUCPXFLZZARK-UHFFFAOYSA-N 387.424 3.780 0 40 GHAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCOC(=O)c1ccccc1 4002893 SIEMICRLRRAVOL-UHFFFAOYSA-N 380.469 3.770 0 40 GHAB CCN1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C(N)=O)C1 4087073 DVPNPNBEIPRTOV-UHFFFAOYSA-N 398.315 3.784 0 40 GHAB CC[C@H](CO)NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 4139845 IASAZPVIHDOTBO-CABCVRRESA-N 381.303 3.823 0 40 GHAB COC(=O)[C@H]1[C@@H](C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)[C@H]2CC[C@@H]1C2 4180056 ARHPCHVOIGDODW-KIZRIRGWSA-N 392.451 3.915 0 40 GHAB CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 4705314 MXURGDHJOFXSLJ-GOSISDBHSA-N 379.851 3.537 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccc(C)cc1 4736452 OZSCHGVDXSWCOL-NSHDSACASA-N 388.522 3.553 0 40 GHAB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(F)c(F)c1 4939900 LWVNCYRIOAQDCK-UHFFFAOYSA-N 396.397 3.511 0 40 GHAB CCOCCc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)s1 5001141 MMRLZSCWOAEGMO-VIFPVBQESA-N 390.292 3.830 0 40 GHAB O=c1c2cc(Cl)ccc2ncn1CCOc1cccc(Br)c1 5084357 JMPDJMBHMWJBBC-UHFFFAOYSA-N 379.641 3.891 0 40 GHAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)NCc3cccs3)c(=O)c12 5138309 QYDDWHASMCBIOP-UHFFFAOYSA-N 395.509 3.811 0 40 GHAB O=C(NCCSCc1ccco1)c1cccc(I)c1 5638136 WWIJLHJJHYCTEI-UHFFFAOYSA-N 387.242 3.547 0 40 GHAB COc1cc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc(OC)c1 5700352 SCUFVCSKHIMTFU-UHFFFAOYSA-N 379.412 3.581 0 40 GHAB CCCC(=O)NC(=S)Nc1cc(C)c(I)cc1C 6592691 XZTKJKCLODXQMZ-UHFFFAOYSA-N 376.263 3.521 0 40 GHAB CCCCCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 6597114 POWWUCKROKBWBV-UHFFFAOYSA-N 394.924 3.842 0 40 GHAB Cc1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 6601962 ICCJDZXODLFCKD-UHFFFAOYSA-N 399.468 3.750 0 40 GHAB COc1cccc(-c2noc(-c3cc4cccc(OC)c4oc3=O)n2)c1OC 6868020 XOFBVHNMCGXVRZ-UHFFFAOYSA-N 380.356 3.536 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 6945242 HSFJARBRYMRMDH-OAHLLOKOSA-N 394.924 3.840 0 40 GHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1 8252162 MDCLPNXPIYGBEJ-UHFFFAOYSA-N 395.415 3.627 0 40 GHAB CC[C@H](C)[C@H](NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1)C(=O)O 8481195 JJIYXVXBBVJWCK-DJJJIMSYSA-N 379.412 3.689 0 40 GHAB biogenic CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(OC)cc1 8517770 IKEJBTSWQQJIFQ-MRXNPFEDSA-N 384.295 3.887 0 40 GHAB COc1cc(C)c(NC(=O)COc2cccc(Br)c2)cc1OC 8724656 WSGKPJYAPPMWAO-UHFFFAOYSA-N 380.238 3.792 0 40 GHAB CCc1cc2c(=O)n(CC(=O)c3cccc(Br)c3)cnc2s1 8983154 BSUFVBTVWRYRCE-UHFFFAOYSA-N 377.263 3.666 0 40 GHAB COc1cc(C)c(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1OC 9053210 BJXOKLZILQXBPA-RDJZCZTQSA-N 382.460 3.560 0 40 GHAB CCCN(CCC)C(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(Cl)cc1 9238436 GAIWNMKKXZJPMG-HZPDHXFCSA-N 393.944 3.648 0 40 GHAB CC[C@@H](C)NC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 9250353 ICMALWOYDNPOPK-OAHLLOKOSA-N 386.517 3.900 0 40 GHAB CCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 10342423 GVPVBYNTKUIGGV-DEOSSOPVSA-N 383.451 3.974 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 10449794 VSYANWVCZNWCEF-MRXNPFEDSA-N 394.496 3.584 0 40 GHAB CC(C)[C@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 10493874 BYOZYYDGVPJOQR-NRFANRHFSA-N 379.504 3.988 0 40 GHAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)[C@H](C)c3ccccc3)C2)on1 12118421 TVIDWDJYRHWQHB-SJLPKXTDSA-N 376.460 3.950 0 40 GHAB Cc1nn(CC(=O)N2CCC(c3onc4c3C[C@@H](C)CC4)CC2)c(C)c1Cl 12119923 APDGUCTYBKVOJH-LBPRGKRZSA-N 390.915 3.672 0 40 GHAB CCc1cc(C(=O)NCc2ccc(-c3nc(C)ncc3-c3ccccn3)cc2)no1 12222259 SVLZILWLOXHXHH-UHFFFAOYSA-N 399.454 3.994 0 40 GHAB O=C1[C@H]2CCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N[C@H]2c1ccc2c(c1)OCO2 12375084 SUOGCSHCUPAGNZ-YQMDMEMYSA-N 379.412 3.515 0 40 GHAB O=C(CC1CCCCC1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 12407799 XXISAJYYNHHYSK-JKSUJKDBSA-N 399.461 3.775 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 12752218 ONHQUJJDFDUNAQ-SFHVURJKSA-N 387.482 3.603 0 40 GHAB Cc1ccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)c(C)c1 12757075 PGOKJDYHOZIJEY-UHFFFAOYSA-N 385.423 3.548 0 40 GHAB CC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)nc1-c1ccccc1 12760557 MLVAJWVYANCWAM-OAHLLOKOSA-N 397.500 3.742 0 40 GHAB CN(CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)CC(=O)N1CCCC1 12945364 HDLUCMSIMDMSQH-UHFFFAOYSA-N 375.472 3.572 0 40 GHAB CC[C@@H]1c2ccsc2CCN1CC(=O)N[C@@H](C)c1cc(OC)ccc1OC 12976820 XLJRWYJSYDZHKH-KBXCAEBGSA-N 388.533 3.952 0 40 GHAB COc1ccc2cc(C(=O)N3CCN(Cc4ccccc4C)CC3)c(C)nc2c1 12996395 LKOAYGAPVDQDLW-UHFFFAOYSA-N 389.499 3.818 0 40 GHAB Cc1cc(Cl)cc(C)c1OCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 12998214 AUYJNVLWHZKBNX-HNNXBMFYSA-N 384.867 3.794 0 40 GHAB Cc1ccc(-c2csc3ncn(C[C@@H](O)COc4ccccc4)c(=O)c23)cc1 13000521 OMTWVICDMPZPMA-QGZVFWFLSA-N 392.480 3.873 0 40 GHAB COC(=O)c1c(NC(=O)C[C@@](C)(C(=O)O)c2ccccc2)sc(C)c1C 13249577 RLTORAYGLARFIP-LJQANCHMSA-N 375.446 3.523 0 40 GHAB CC[C@H](C(=O)NCc1ccccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 13712172 SUPWUWNFQYGPLC-GOSISDBHSA-N 394.924 3.509 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 14234127 SOPNPDDDCJCSIK-UHFFFAOYSA-N 395.797 3.567 0 40 GHAB Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nc(C(C)C)n1 16103550 NZICXGLLGMTLNS-UHFFFAOYSA-N 376.863 3.663 0 40 GHAB Nc1c(Cl)cc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1Cl 16489891 VEKOBIYWZNYZQG-LBPRGKRZSA-N 384.288 3.880 0 40 GHAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)nc(C2CC2)n1 19086139 KUDIFRPJAIYORT-SFHVURJKSA-N 377.492 3.933 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1ccc2c(c1)C[C@@H](C)O2)CC3 19498096 NVUOUGOFKPSIHN-CQSZACIVSA-N 376.456 3.627 0 40 GHAB CC[C@H](C)CNC(=O)C1CCC2(CC1)CNC(=O)c1cc(Cl)ccc1O2 19499913 FRKZNRHZXZYLTC-LTQQYIGLSA-N 378.900 3.554 0 40 GHAB CCn1ncc(-c2cc(C(=O)N[C@H](c3ccccc3)c3ccncc3)on2)c1C 19524064 XKKKWYRLIHKDAV-OAQYLSRUSA-N 387.443 3.781 0 40 GHAB Cc1cc(N2CCO[C@@H](c3ccc(Cc4ccccc4F)cn3)C2)nc(C)n1 19692926 ZXMRGNMLTNMXIC-OAQYLSRUSA-N 378.451 3.796 0 40 GHAB COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3N2CCOCc2ccccc2)cc1 19713956 FZYZDJJISZRYNC-YTFSRNRJSA-N 394.515 3.696 0 40 GHAB CN1CCN([C@H](CNC(=O)Nc2ccc(Cl)cc2)c2cccs2)CC1 22424466 IOXWULBWANHKOX-MRXNPFEDSA-N 378.929 3.512 0 40 GHAB CC[C@H]1CCCCN1C(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 23466429 PSGHWLMTJSRGOC-QMMMGPOBSA-N 394.686 3.572 0 40 GHAB Cc1cc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc(C)c1Cl 23586862 QSEVKSZRTJEOGY-LJQANCHMSA-N 392.902 3.658 0 40 GHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc2c(cc1Cl)OCCCO2 26987103 COKYUDJMWSVXEV-VOJFVSQTSA-N 375.808 3.668 0 40 GHAB C[C@@H]1CCCCN1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 27962375 XIYAXQJBRLWNKT-GDBMZVCRSA-N 379.551 3.943 0 40 GHAB CCn1cc(Cl)c(C(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)n1 28237942 UOBXDHFZQQIUTM-UHFFFAOYSA-N 382.226 3.846 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)CCOc2cc(C)cc(C)c2)CC1 29992293 USZDUGKVNKUTRF-UHFFFAOYSA-N 381.520 3.853 0 40 GHAB COC(=O)CCCN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 32278299 ZGFJFCUASHTXTP-UHFFFAOYSA-N 397.500 3.685 0 40 GHAB Cc1nc(CN2CCN([C@H](C)C(=O)Nc3cc(Cl)ccc3C)CC2)cs1 32761122 ZUTASKIBDHCFTI-CQSZACIVSA-N 392.956 3.558 0 40 GHAB CC(C)[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 32768972 HCCHJAMSBPERGN-PMACEKPBSA-N 377.550 3.982 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)C1 32841549 PCQNINAUJCQNPU-HNNXBMFYSA-N 386.496 3.551 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)c1nn2cc(C(C)(C)C)nc2s1 32908992 LHNVHNYRCWFZAT-UHFFFAOYSA-N 380.521 3.970 0 40 GHAB C[C@H](OC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1c[nH]c2ccccc12 32910972 IQCBYWCRYOQIFZ-SUMWQHHRSA-N 386.448 3.682 0 40 GHAB O=CN1CCc2cc(C(=O)CSc3nccn3-c3cccc(F)c3)ccc21 32931620 TULKRBZMFPXKLT-UHFFFAOYSA-N 381.432 3.505 0 40 GHAB COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccc(F)cc4)c32)cc1 35325491 FVIMGGXCGKFOQR-INIZCTEOSA-N 380.375 3.797 0 40 GHAB Cc1c(C(=O)N2CCN(c3ccccc3)CC2)cnc2c(-c3ccccc3)cnn12 38829589 NWNNYCZERXEJMA-UHFFFAOYSA-N 397.482 3.667 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38946524 VQAXVWBLGWTUNC-WNGAPAKLSA-N 394.902 3.828 0 40 GHAB C[C@H](NC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(Cl)c1 44206019 KVCLVQBJEUDJAT-ZDUSSCGKSA-N 385.851 3.872 0 40 GHAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)ccc21 45621155 NWKZKOIOEVGTKX-UHFFFAOYSA-N 391.258 3.866 0 40 GHAB O=C(Nc1ccc(-n2cncn2)c(F)c1)c1occc1COc1ccccc1 47244180 LEBGRVKNUMVADP-UHFFFAOYSA-N 378.363 3.831 0 40 GHAB COc1ccc(CCC2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 48287547 QCEVCXDVXSLMPW-UHFFFAOYSA-N 383.517 3.609 0 40 GHAB CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)N[C@@H](C)CC)cc1 48991095 CRJJDZRHVIIAIZ-ZDUSSCGKSA-N 396.534 3.500 0 40 GHAB C[C@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1ccc2c(c1)CC(=O)N2 53964534 YFJWVYZKLVROGP-HNNXBMFYSA-N 387.439 3.646 0 40 GHAB Cc1cc2ccccc2n1CC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 55986855 IHACLSALNDHASS-UHFFFAOYSA-N 398.466 3.913 0 40 GHAB Cc1ccc(C)c2c(C)c(C(=O)N3CCC(C(=O)Nc4nncs4)CC3)oc12 56414532 JSVLXXWOETZURR-UHFFFAOYSA-N 398.488 3.700 0 40 GHAB CSc1cccc(NC(=O)CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 58063042 AUAZGDKORWEWSD-MRXNPFEDSA-N 393.553 3.726 0 40 GHAB O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(Br)o1 58223569 IWOBSECYUSYPTK-JTQLQIEISA-N 378.144 3.524 0 40 GHAB CN(Cc1ccccc1)CC1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 58297834 OYADPGZGTKXMOQ-XMMPIXPASA-N 391.559 3.850 0 40 GHAB O=C(CCc1ccccc1)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 61717527 HPSBHZKUJRLUJB-UHFFFAOYSA-N 375.472 3.522 0 40 GHAB Cc1cccc(C)c1NC(=O)c1nnn(CC(=O)Nc2ccccc2Cl)c1C 71327382 XQIKKHNWOCISCT-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB NC(=O)c1ccc(CN2CCC3(CC2)C[C@@H]3c2nnc(-c3ccccc3)o2)cc1 71889680 TVRAXRHLRLXLOR-LJQANCHMSA-N 388.471 3.605 0 40 GHAB CCn1cc(Cl)c(C(=O)NCc2nc(-c3ccc(OC)cc3)cs2)n1 72265244 IYQTYIBKDSCRNZ-UHFFFAOYSA-N 376.869 3.619 0 40 GHAB COc1ccccc1CNc1ncc(-c2cc(C)no2)c(-c2cnc(C)cn2)n1 72336779 QPLBMVACOWSHTE-UHFFFAOYSA-N 388.431 3.826 0 40 GHAB Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCCCN2C(=O)c2nccn2C)n1 72384416 PAFCANQSPOUUMW-QGZVFWFLSA-N 395.438 3.817 0 40 GHAB Cc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCCC(=O)O)c1 79112280 BGYPCITWIOPRKS-GOSISDBHSA-N 394.427 3.656 0 40 GHAB CCOC(=O)CN(Cc1cnc(C)cn1)[C@@H](C)c1cccc(Br)c1 95441612 GQACPNWLHFFKNS-AWEZNQCLSA-N 392.297 3.674 0 40 GHAB CO[C@@H]1CCCN(c2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2)C1 96122522 MCIPPCDKXGVTKU-LJQANCHMSA-N 394.924 3.897 0 40 GHAB Cn1c(CCCCCNC(=O)c2c[nH]c(=O)c3ccccc23)nc2ccccc21 96231853 HIPCMBPNPHPKPR-UHFFFAOYSA-N 388.471 3.558 0 40 GHAB CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(C(=O)N(C)C)CC3)cc21 96267179 VOICQKHUTXQJEL-UHFFFAOYSA-N 392.507 3.935 0 40 GHAB COCc1nn2c(=O)c(-c3ccccc3)c[nH]c2c1-c1ccc(OC)c(OC)c1 100241529 AMMMBSXQWPPTEB-UHFFFAOYSA-N 391.427 3.520 0 40 GHAB COc1ccc([C@H](c2c(O)c3ccccc3oc2=O)N2CCCC2)c(OC)c1 104241849 BPCIYXKSFOCOMQ-HXUWFJFHSA-N 381.428 3.701 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCC[C@H]2CCCC[C@H]21 105882799 LWMTUWAUVHCGHF-MISYRCLQSA-N 384.520 3.776 0 40 GHAB COc1ccc(OC)c(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c1 106759576 BZLVDFUDUFKNAP-AQTBWJFISA-N 385.441 3.819 0 40 GHAB CC[C@H](Oc1ccccc1C)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 219315654 DBBISKYABBYNQI-KRWDZBQOSA-N 381.432 3.527 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)cc1 222889576 AESUBTQOKHFMRX-JOCHJYFZSA-N 396.531 3.878 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1C 222899201 JDCWLRDGZACUCO-NRFANRHFSA-N 396.531 3.748 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 223011067 VUGDUVYYKFHQBC-HXUWFJFHSA-N 382.504 3.544 0 40 GHAB CCc1cccc(C)c1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 223376256 LJTKDTLRFJSXJB-UHFFFAOYSA-N 394.924 3.611 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)cc(C)c1 224593775 LIGHMZFTFVQLPW-JOCHJYFZSA-N 396.531 3.798 0 40 GHAB Cc1ccc(CN(C(=O)COc2cccc(C)c2C)[C@@H](C)C(=O)NC(C)C)cc1 225533976 BSUIJAXIFUTETD-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB COc1cccc(Cc2cnc(C3(C)CCN(C(=O)c4ccccn4)CC3)o2)c1 257210541 BVCKDAOKRUYNSI-UHFFFAOYSA-N 391.471 3.863 0 40 GHAB COc1cccc(Cc2cnc([C@@H]3CCCN3C(=O)c3ccc(C)nc3)o2)c1 257252678 JVROKOLJMSPYAY-FQEVSTJZSA-N 377.444 3.955 0 40 GHAB COc1ccccc1C(=O)N1[C@@H](c2ccccc2)C[C@@]2(C)[C@@H](O)[C@H](O)CCC[C@@H]12 257295186 QXHYEVBJJOKQAZ-ZZNUNNEKSA-N 395.499 3.563 0 40 GHAB COCCn1ccnc1[C@@H]1CN(Cc2ccc(OC)cc2)Cc2ccccc21 306125257 CKQWNXZCUFSWJO-JOCHJYFZSA-N 377.488 3.686 0 40 GHAB Cc1ccsc1CN1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccc1 306125907 DFIISWSQUMNZNS-WOJBJXKFSA-N 377.513 3.940 0 40 GHAB Cc1nc(CN2C(=O)c3cccn3[C@H]3CN(Cc4sccc4C)C[C@H]32)cs1 306137342 QTQIYUJCZZTEEP-ZWKOTPCHSA-N 398.557 3.704 0 40 GHAB O=S(=O)(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cc(Cl)ccc1Cl 390829235 XQADCZCQCNEAPO-ZDUSSCGKSA-N 390.292 3.560 0 40 GHAB CCN1CCN(C(=S)c2cccc(OC)c2OCc2ccc(F)cc2)CC1 408578812 ZJTPQVJWEDLYHY-UHFFFAOYSA-N 388.508 3.726 0 40 GHAB CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 408648489 WMMUSVRLWFIJRS-MRXNPFEDSA-N 398.434 3.630 0 40 GHAB COc1ccccc1[C@@H](c1c[nH]c2ccccc12)C1C(=O)OC(C)(C)OC1=O 409121960 WEFBDSCNBXNDAL-SFHVURJKSA-N 379.412 3.761 0 40 GHAB O=C1C[C@]2(CCN(C(=O)NC3CCC(C(F)F)CC3)C2)Oc2ccccc21 521404696 ALEHTKAKOWJLRM-DHRDCHLVSA-N 378.419 3.630 0 40 GHAB O=C(O)[C@@H](c1ccsc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 582731021 ZFWJNKJSZJLZGN-CZUORRHYSA-N 387.436 3.943 0 40 GHAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccc(F)c(Cl)c1 585148299 XJRSZKYLNDHMRD-KRWDZBQOSA-N 395.839 3.751 0 40 GHAB CN1CC[C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)C1 599222925 GBBYBXPSPSUNNM-MRXNPFEDSA-N 394.906 3.874 0 40 GHAB Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)NCc1cccc2ccsc12 661349885 RQGZURHAUDUTAC-MAUKXSAKSA-N 384.505 3.602 0 40 GHAB C[C@H]1CN(C(=O)c2c(C(F)F)nc3cnccn23)CC[C@H](c2ccccc2)O1 1553976010 PKHSAHSDGUZSGL-DZGCQCFKSA-N 386.402 3.659 0 40 GHAB O=C(c1ccncc1F)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1775995685 DTNVIQQWUYPYTG-LBPRGKRZSA-N 383.345 3.566 0 40 GHAB COc1ccc(CN2C(=O)CCC23CCN(CCc2ccccc2)CC3)cc1 2055819270 CZKIASLADGDSEL-UHFFFAOYSA-N 378.516 3.895 0 40 GHAB COCc1cc(C)nc2sc3c(=O)n(-n4cccc4)c(CC(C)C)nc3c12 12445631 IWJWHQVCGJMDMT-UHFFFAOYSA-N 382.489 3.772 0 40 GHAB NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 33779333 NEICNBBVUAGLLD-QINSGFPZSA-N 390.414 3.893 0 40 GHAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2ccnc2)cc1 12547853 DJIUODHUZQPYFO-AEFFLSMTSA-N 398.507 3.697 0 40 GHAB Cc1nn(CN2CCN(c3ccccc3F)CC2)c(=S)n1-c1ccccc1 12564111 WLUCKOCLAAJZNH-UHFFFAOYSA-N 383.496 3.631 0 40 GHAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2C(F)(F)F)n2ncnc2N1 983259 GMBIISMHCBQVAK-OAHLLOKOSA-N 380.370 3.929 0 40 GHAB COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3OC)nc2)c1 1353012 FLWZDXRETKXCIS-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB Cc1cc(C)cc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccn2)c1 1362553 OGMLKQRZFOEZKU-UHFFFAOYSA-N 393.516 3.661 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2ccccc2C(F)(F)F)c1 23587716 OWHURQPBLLIKBM-UHFFFAOYSA-N 394.349 3.979 0 40 GHAB C[C@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1ccccc1N1CCCCC1)C2=O 23653866 DCSMMPSNQWRKAJ-MBSDFSHPSA-N 398.551 3.567 0 40 GHAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCCC[C@H]3C)c2C1 3481939 SPERYAGBPSLMRY-HZPDHXFCSA-N 380.488 3.917 0 40 GHAB O=C(c1ccc(F)cc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 4163706 AZBVSDZZXLLWFG-INIZCTEOSA-N 386.732 3.980 0 40 GHAB COC(=O)c1c(N[C@@H]2OC(=O)c3ccccc32)sc(C(=O)OC(C)C)c1C 4384835 ZPCRLFZYKPJOIZ-OAHLLOKOSA-N 389.429 3.689 0 40 GHAB CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3C)nc2c1 3278418 AGJYBVWWTGLICL-UHFFFAOYSA-N 390.486 3.661 0 40 GHAB Cc1nc(NCCNC(=O)c2ccccc2F)c2c3c(sc2n1)CCCC3 4848566 LMBFJRCHLLEVAZ-UHFFFAOYSA-N 384.480 3.860 0 40 GHAB CCn1c2ccccc2c2cc(CNCCCSc3nnnn3C)ccc21 6871180 ISBCGLKSTINNFF-UHFFFAOYSA-N 380.521 3.610 0 40 GHAB CCNC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCCc1ccccc1 7503748 SGNJULBIFXRWEE-MRXNPFEDSA-N 395.528 3.646 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1 25454167 RFOPNXWNCKNNLW-UHFFFAOYSA-N 396.443 3.546 0 40 GHAB Cc1cc(-c2ccc(S(=O)(=O)N(C)CCCC(=O)O)cc2)nc2ccccc12 12609159 HNXZZMXFEYCNGL-UHFFFAOYSA-N 398.484 3.696 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2)c1 107655753 UWXXWPLVOZSCIM-LBPRGKRZSA-N 396.896 3.678 0 40 GHAB O=C(COC(=O)c1cc2c(s1)CCCCC2)N[C@H]1CCOc2ccccc21 27125289 VPJKQQSCVDSQSZ-INIZCTEOSA-N 385.485 3.814 0 40 GHAB O=C1SCCN1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 12785750 RQDBGCMDBJNJEH-CQSZACIVSA-N 375.519 3.909 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)n1 116171784 NGEWOVKVAQZYEA-UHFFFAOYSA-N 388.515 3.506 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@@H](NCc2ccc(F)cc2)c2ccccc2)cc1 58167053 XESQXNBOZHPWKO-JOCHJYFZSA-N 398.503 3.944 0 40 GHAB CCOc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)cc1 2179502 YJDMQIOUXNIRLO-UHFFFAOYSA-N 385.938 3.950 0 40 GHAB Cc1ccccc1OCCOC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 11014939 IESLMYHFKJBLIZ-UHFFFAOYSA-N 398.846 3.739 0 40 GHAB CCc1cc(C(=O)N2CCCCC2)c2c(C)nn(-c3ccc(OC)cc3)c2n1 36621745 FAVUPEQNBWEALX-UHFFFAOYSA-N 378.476 3.926 0 40 GHAB CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 2407722 PAQGDGNMPSLTBH-SFHVURJKSA-N 382.847 3.553 0 40 GHAB CN1CCC(N(C)C[C@H](Nc2ncnc3ccccc23)c2ccccc2)CC1 62580992 NOBJBYYWZBREKZ-QFIPXVFZSA-N 375.520 3.809 0 40 GHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCn1cnc2sccc2c1=O 11334027 ZILUBGVWYKZUKD-UHFFFAOYSA-N 383.517 3.804 0 40 GHAB COc1cc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc(OC)c1OC 12870334 ICMWEHVFVPZDGI-UHFFFAOYSA-N 388.445 3.667 0 40 GHAB COc1cccc2cc(/C=C/C(=O)OCC(=O)N3CCCc4ccccc43)oc12 11578870 WDTVMZAJJNHKRP-VAWYXSNFSA-N 391.423 3.977 0 40 GHAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)OC[C@H]1CCCO1 11562578 JADGADUIQVHBAY-GOSISDBHSA-N 392.455 3.943 0 40 GHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C)c2)cc1OCC 10543963 YZXYQXTZRYAZBE-HNNXBMFYSA-N 393.505 3.841 0 40 GHAB O=C(NC1CCN(c2ncccn2)CC1)c1ccc(-c2ccc(Cl)cc2)o1 46597563 RPGXXXUTCGYZAO-UHFFFAOYSA-N 382.851 3.789 0 40 GHAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 3492873 GMTFZUISZACFIM-JAIQZWGSSA-N 391.423 3.630 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc(Br)cc2)c1C 3587373 CHMCVYYKXFGPOZ-UHFFFAOYSA-N 378.222 3.636 0 40 GHAB CC(C)(C)C(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1 12981892 SOAOHUVXXODVAL-UHFFFAOYSA-N 395.459 3.573 0 40 GHAB O=C(/C=C/c1ccco1)N(Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 8869761 RZWAQQIVDZGADQ-VYENPZKTSA-N 395.480 3.662 0 40 GHAB Cc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 22879697 VVFKFNWXIUCGPL-LBPRGKRZSA-N 391.240 3.888 0 40 GHAB O=C(Nc1ccc(OCCn2cncn2)cc1)c1cccc(C(F)(F)F)c1 4108854 DFTSETDOPKYBHZ-UHFFFAOYSA-N 376.338 3.628 0 40 GHAB Nc1ncn(Cc2ccccc2)c2nc(SCCOc3ccccc3F)nc1-2 4164215 CPZUUNQMVOBBGT-UHFFFAOYSA-N 395.463 3.719 0 40 GHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1ccccc1 13690172 CVHUITYZXIZWOG-QFBILLFUSA-N 375.472 3.898 0 40 GHAB CCc1nnc2sc(-c3ccc(NC(=O)COc4cccc(C)c4)cc3)nn12 5246837 NLBUFZWSTQAZHS-UHFFFAOYSA-N 393.472 3.741 0 40 GHAB CC1(C)CN(C(=O)c2cnn(-c3ccccc3)c2Br)CCS1 96007133 ZKUPCQYLNTYJRY-UHFFFAOYSA-N 380.311 3.602 0 40 GHAB COc1ccc(C)cc1CCNC(=O)C1(C)CCN(Cc2ccccc2)CC1 96012261 RBJFXFPQLZLILD-UHFFFAOYSA-N 380.532 3.965 0 40 GHAB Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(F)c3)n2C)sc1C 4736265 HXUBXSXKGZRELK-LLVKDONJSA-N 391.497 3.814 0 40 GHAB O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1ccc[nH]1 9376886 IQEGOWDMXQRFGN-UHFFFAOYSA-N 399.495 3.695 0 40 GHAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(Oc2ccccc2)cc1 4894035 MYXPDTPCJBCDEH-LBPRGKRZSA-N 381.461 3.553 0 40 GHAB COc1ccccc1CNc1nc2ccccc2c2nc(-c3cccnc3)nn12 6805422 TURBDSNJHZWEDO-UHFFFAOYSA-N 382.427 3.960 0 40 GHAB CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1F)S2 6812144 KVCWALUXAQKMBC-QZTJIDSGSA-N 397.479 3.768 0 40 GHAB C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccccc2)nc2sccc2c1=O 15517154 OJLIXTBQOAUQLA-AWEZNQCLSA-N 399.541 3.783 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)cc1 7213343 REZVIIHCTHCZDX-INIZCTEOSA-N 387.501 3.853 0 40 GHAB Cc1nc(-c2ccc(NC(=O)Cc3csc(N4CCCC4=O)n3)cc2)cs1 7438342 WZMBSVDKUBLQDV-UHFFFAOYSA-N 398.513 3.883 0 40 GHAB O=C1COc2ccc(C(=O)COc3ccc(Cl)cc3Br)cc2N1 7983470 YSIZEJSEAGZOFP-UHFFFAOYSA-N 396.624 3.695 0 40 GHAB CCCCc1nc2ccccc2n1CC(=O)Nc1ccccc1N1CCOCC1 7979677 JKBLOBVABHMGRG-UHFFFAOYSA-N 392.503 3.854 0 40 GHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 16619617 AISSSZDSFADIJX-INIZCTEOSA-N 398.242 3.767 0 40 GHAB CCCCc1noc(CN2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)n1 69951349 WTCHZIZZWMVEOH-IBGZPJMESA-N 388.556 3.805 0 40 GHAB CCc1ccc(C(=O)NCc2ccc(-c3nn4c(CC)nnc4s3)cc2)cc1 18210620 KLXVYPQBCGMNHA-UHFFFAOYSA-N 391.500 3.908 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1F 8745045 JLQCSOZILBDIMD-SFHVURJKSA-N 385.435 3.902 0 40 GHAB CC[C@@H](C(=O)NCc1cccc(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 113949799 LLXUMVHIWMRJCK-SFHVURJKSA-N 394.924 3.509 0 40 GHAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cccc(C(=O)N(C)C)c2)c1 95947517 UFHVRHVHSJMMRJ-UHFFFAOYSA-N 376.460 3.752 0 40 GHAB O=C(c1cccc(-c2noc(C3CC3)n2)c1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 95983017 XWHXVQSXWLLEQB-OALUTQOASA-N 393.418 3.701 0 40 GHAB Cc1noc(COc2ccc(NC(=O)C[C@H]3OCCc4ccsc43)cc2)n1 89721189 IBZGBIQMJIVMLA-MRXNPFEDSA-N 385.445 3.661 0 40 GHAB CCOc1c(Cl)cc(-c2noc([C@H]3CC(=O)N(CC(C)C)C3)n2)cc1OC 544906748 UKTBFCZOQYRQMR-ZDUSSCGKSA-N 393.871 3.769 0 40 GHAB O=C(Nc1ccc(N2CCCC2)cn1)c1ccccc1I 25661623 KCPQELUZXJPONW-UHFFFAOYSA-N 393.228 3.539 0 40 GHAB COc1ccc2oc(=O)c(C(=O)N3CCC(Cc4ccccc4)CC3)cc2c1 26843265 RDPAMMXOFMAPPL-UHFFFAOYSA-N 377.440 3.897 0 40 GHAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)N3CCCCC3)c2)o1 409183674 UCEKTHKTJHEIHG-UHFFFAOYSA-N 375.808 3.582 0 40 GHAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C(=S)Nc2cccc3ccccc23)C1 2087578 IUVMARZZCXRKGP-RDJZCZTQSA-N 375.497 3.818 0 40 GHAB biogenic O=C(COC(=O)c1ccc(F)c(Cl)c1)NCc1ccccc1C(F)(F)F 72333940 GGBAUJACQKQXJN-UHFFFAOYSA-N 389.732 3.971 0 40 GHAB COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4cscn4)C3)n2)c1 72362648 CWJPTEIEFUOQRU-AWEZNQCLSA-N 396.472 3.754 0 40 GHAB Cc1nccn1-c1cccc([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)n1 72379225 NAJLGQHFJXGLJQ-GOSISDBHSA-N 380.467 3.973 0 40 GHAB COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 33570576 QSEGEACFDVIRCW-MRXNPFEDSA-N 382.460 3.727 0 40 GHAB COc1ccc(-c2nnn(CSC)c2C(=O)Nc2ccccc2)cc1OC 32611822 BCVLUBCNUSGYBM-UHFFFAOYSA-N 384.461 3.535 0 40 GHAB Cn1ncc(C(=O)NCc2ccc3c(c2)nc(C2CC2)n3C)c1Cc1ccccc1 556820576 XJXHRTZTNOCHCO-UHFFFAOYSA-N 399.498 3.705 0 40 GHAB O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)cc3)N(c3ccccc3)[C@@H]2C1 32639664 IBZBRRDIXBFMAK-IAGOWNOFSA-N 392.933 3.615 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C)cc3C)n2)c1 219538157 VCOPYYKLDGAIQX-MRXNPFEDSA-N 395.459 3.788 0 40 GHAB Cn1nccc1[C@H]1C[C@H](NC(=O)Nc2ccnc(-c3ccccc3)c2)CCO1 567342294 FTVPMUUMYMVFEV-YLJYHZDGSA-N 377.448 3.524 0 40 GHAB Cn1ccc2c(NC(=O)CCc3nc4ncc(Br)cc4[nH]3)cccc21 79484255 QPKRTTADSANRSH-UHFFFAOYSA-N 398.264 3.783 0 40 GHAB Cc1cc(C)cc(NCC(=O)Nc2ccc(I)cc2)c1 40162273 RAXCDNYMEBHVMR-UHFFFAOYSA-N 380.229 3.959 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 225456145 WBSCECHFCYEZHV-ZWKOTPCHSA-N 384.495 3.743 0 40 GHAB CCOc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccoc3C)CC2)cc1 48354768 SIPRNWQHYOXKQJ-UHFFFAOYSA-N 398.503 3.588 0 40 GHAB CC(C)(C)c1ccc(CS(=O)(=O)CCC(=O)N2CCc3ccccc32)cc1 40070047 JRFCBLRAMDRQKQ-UHFFFAOYSA-N 385.529 3.878 0 40 GHAB O=C(NCCSc1nc(-c2ccccc2)n[nH]1)c1conc1-c1ccccc1 225869660 MBYDVUCYFXCRSS-UHFFFAOYSA-N 391.456 3.649 0 40 GHAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 223625037 IDUASIWKDKXMTI-RTWAWAEBSA-N 392.528 3.536 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 222538451 ZIYUXHBUXBZSAW-OAHLLOKOSA-N 390.936 3.986 0 40 GHAB Cc1cncc(N(Cc2ncc[nH]2)C(=O)C[C@@H]2CSc3ccccc3O2)c1 571527441 WRXGSUJBQDSTBN-MRXNPFEDSA-N 380.473 3.590 0 40 GHAB COc1cc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc(OC)c1OC 223640275 LDOCSEJJAJYTDH-OAHLLOKOSA-N 399.487 3.675 0 40 GHAB COC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)ccc1OC 225753283 YSAQUKCVNQWWJO-UHFFFAOYSA-N 383.444 3.941 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 223057436 ADVNSGRVOURYDT-HXUWFJFHSA-N 382.504 3.544 0 40 GHAB COC(=O)[C@H](CCSC)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344299 CIOHGOMOEGKMHB-RDBSUJKOSA-N 376.305 3.508 0 40 GHAB O=C(NCc1ccco1)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12 96155251 LGXFKNKKUUFYRO-UHFFFAOYSA-N 383.411 3.710 0 40 GHAB Cc1cccc(NC(=O)N2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)c1 96090014 TZARZCKYAZXELM-QFIPXVFZSA-N 392.459 3.777 0 40 GHAB COc1ccccc1C(=O)N1CCC(Oc2ncccc2Br)CC1 96096942 VLKNGWUUGDYVPH-UHFFFAOYSA-N 391.265 3.536 0 40 GHAB COc1ccc(CN2CCC(c3n[nH]cc3C(=O)N3CCCCCC3)CC2)cc1 257332218 XWGWFRAHSQOVOJ-UHFFFAOYSA-N 396.535 3.814 0 40 GHAB O=C(CN1CCCCCC1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257339301 ZBDUUPSJNFLFIE-FQEVSTJZSA-N 385.483 3.944 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC[C@H]2C)n1 260742455 WHRQLHWJXGHHKM-MRXNPFEDSA-N 390.601 3.788 0 40 GHAB Clc1cc(Cl)cc(-c2nnc3ccc(=NCC[C@H]4CCCO4)[nH]n23)c1 588896347 BEYIJCAXLRFPPY-CQSZACIVSA-N 378.263 3.501 0 40 GHAB C[C@@H](C(=O)Nc1nc2cc3c(cc2s1)OCCO3)N(C)Cc1ccccc1 605399836 CAEHAXKGLGFMPQ-ZDUSSCGKSA-N 383.473 3.527 0 40 GHAB COc1nc(C(=O)N2CC[C@H](C(F)(F)F)n3nc(C)cc32)cc2ccccc12 643902618 FDRZBZUHXFPTTI-OAHLLOKOSA-N 390.365 3.902 0 40 GHAB CSc1ccc(/C=C/C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)cc1 96120569 XINJHOOZQNADPA-QPJJXVBHSA-N 384.501 3.683 0 40 GHAB O=C(CSCc1ccccc1)NCCn1nc(C(F)(F)F)c2c1CCCC2 96121554 DZAPMQNACDMDNY-UHFFFAOYSA-N 397.466 3.830 0 40 GHAB Clc1ccc2ncc(-c3cccc(C[C@@H]4CC5(CCNCC5)CO4)n3)n2c1 585263134 OFTHLBKHXQQVMQ-QGZVFWFLSA-N 382.895 3.751 0 40 GHAB NCCCOc1cccc(C(=O)N2[C@H](c3ccccc3)C[C@H]3NCCCC[C@@H]32)c1 585261642 BJUZXIYJQNWWKQ-VJBWXMMDSA-N 393.531 3.512 0 40 GHAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCCOc1ccccc1 36743888 WHHMZMPZKPXRPK-JOCHJYFZSA-N 388.467 3.743 0 40 GHAB O=C1C[C@@H](C(=O)N(CCc2ccccc2)c2ccccc2)CN1Cc1ccco1 58439979 SBPFHHRXOXDHIE-HXUWFJFHSA-N 388.467 3.904 0 40 GHAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3c(C)nn(C)c3C)n2)cc1 96997520 IHRSGNQHFYBQFK-LLVKDONJSA-N 397.504 3.610 0 40 GHAB Cc1ccc(NC(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)O3)cc1F 1549162731 VGQYNKCFVQPGCF-UHFFFAOYSA-N 397.450 3.865 0 40 GHAB COc1ccccc1-c1c(Nc2ccccc2C)oc2c1c(=O)n(C)c(=O)n2C 11614572 NMRINDYGWGUEOP-UHFFFAOYSA-N 391.427 3.558 0 40 GHAB COc1cccc(C2(NC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)CCCC2)c1 12116859 VXPWRKHPGOGJJH-UHFFFAOYSA-N 393.491 3.635 0 40 GHAB Cc1ccc2c(c1)oc(=O)n2CCNC(=O)C1(c2ccc(Cl)cc2)CCC1 12188644 XXORVPSTVSIWCJ-UHFFFAOYSA-N 384.863 3.794 0 40 GHAB O=C(NCc1nc(-c2ccccc2Cl)no1)[C@H]1Cc2cc(Cl)ccc2O1 12201305 UYRJDKCZSJPSQI-OAHLLOKOSA-N 390.226 3.663 0 40 GHAB COc1ccc(CN2CC[C@@](O)(c3ccccc3)C2)cc1Cc1c(C)n[nH]c1C 12241361 DIZASICCQHHYKH-DEOSSOPVSA-N 391.515 3.719 0 40 GHAB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)ccc1C(C)C 12611967 FPYHDUAWKSNOOQ-INIZCTEOSA-N 395.455 3.848 0 40 GHAB Cc1cccc2nc(CN[C@H](c3ccc4c(c3)OCCCO4)C(C)C)cc(=O)n12 12994403 WBYKJJORGVYTHA-QHCPKHFHSA-N 393.487 3.651 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1 13058032 BOZRQYDAJANKIV-OAHLLOKOSA-N 387.911 3.650 0 40 GHAB CC(C)Cc1c(O)nc(SCC(=O)Nc2ccc(C(C)C)cc2)[nH]c1=O 13453822 WABSWIBFSBOEKK-UHFFFAOYSA-N 375.494 3.528 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1C(=O)NC(C)C 13680009 WQXNXYRFDGBKNI-UHFFFAOYSA-N 390.505 3.758 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 13990860 SHVFSBNNVXHZRK-UHFFFAOYSA-N 388.467 3.985 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C)c2C)cc1 18076972 LXQQTACOGIXDIZ-UHFFFAOYSA-N 388.533 3.905 0 40 GHAB COc1ccccc1C(=O)N1CCCC[C@H]1c1nn(C)cc1-c1ccncc1 19290095 PTZZEJDGPXCGNT-IBGZPJMESA-N 376.460 3.858 0 40 GHAB O=C(c1ccco1)N1CCC(c2nc(NC3CC3)ncc2-c2ccccn2)CC1 19402679 AKGDINMUHVVJBK-UHFFFAOYSA-N 389.459 3.726 0 40 GHAB CC(=O)N(C)C1CCC2(CC1)CN(Cc1ncccc1C)Cc1ccccc1O2 643913495 SIODQPIUCPWTJP-UHFFFAOYSA-N 393.531 3.944 0 40 GHAB Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)CC2)cc1 257256289 KKVMGXQETJROSJ-SAABIXHNSA-N 391.475 3.847 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(Cl)cc1Cl 3477339 GQRFWSGEYQHQKB-UHFFFAOYSA-N 383.231 3.978 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1 5466899 OMFAHUGNBLNXJQ-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB CCOC(=O)c1sc(NC(=O)COc2ccc(C(=O)CC)cc2)cc1C 5512738 WUUNPLADNFQLIX-UHFFFAOYSA-N 375.446 3.843 0 40 GHAB CC(=O)Nc1cnn([C@@H]2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 1888970048 LAFLLQTUONSGJA-JOCHJYFZSA-N 388.471 3.525 0 40 GHAB C=CC(=O)Nc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)cc1 1545515277 WIRGUBKXCYPTDT-MRXNPFEDSA-N 379.243 3.581 0 40 GHAB O=S(=O)(c1ccc(F)cc1)N1CCN=C1SCc1ccc(Cl)cc1 2711527 XFGBTCOLGQARHX-UHFFFAOYSA-N 384.885 3.773 0 40 GHAB COc1cc(OC)cc(C(=O)N(CCN(C)C)c2nc3ccccc3s2)c1 4585268 OCADSKUMLBFIIV-UHFFFAOYSA-N 385.489 3.522 0 40 GHAB CCOCCn1ccc2c(OCC(=O)Nc3cc(C)cc(C)c3)cccc2c1=O 4584356 KIYFIUHFAQVRRJ-UHFFFAOYSA-N 394.471 3.672 0 40 GHAB Cc1cccc(NC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)c1 22506354 DIWLUQAMJMANOJ-UHFFFAOYSA-N 379.869 3.832 0 40 GHAB O=C(NCc1ccccc1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 23145125 IRQXDUBAYXILNR-UHFFFAOYSA-N 392.528 3.838 0 40 GHAB Cc1cc2ncc(CCCNC(=O)c3cc(-c4ccc(F)cc4)c[nH]3)cn2n1 206822130 RFTGWHLBRRORPZ-UHFFFAOYSA-N 377.423 3.535 0 40 GHAB COc1cccc2cc(C(=O)N3CCC[C@@]4(C3)OC(=O)c3ccccc34)oc12 211111627 QZHZCFFLCQPBGG-QFIPXVFZSA-N 377.396 3.743 0 40 GHAB O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1ccc(F)cc1F 35598172 NUPCJSALYVRWCD-UHFFFAOYSA-N 392.369 3.936 0 40 GHAB O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1cc(-c2ccco2)n[nH]1 38735860 WAUQZYILMCKCHG-UHFFFAOYSA-N 377.429 3.891 0 40 GHAB Cc1ccc(CNC(=O)c2nnn(-c3ccccc3)c2-c2ccncc2)cc1C 575616911 SUUZNKUBJPAYNN-UHFFFAOYSA-N 383.455 3.876 0 40 GHAB CC(C)[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O 40309428 YWABNSKZGUISAZ-QFIPXVFZSA-N 394.471 3.836 0 40 GHAB biogenic COc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1OC 31494155 YATNFIAVPXKTBG-UHFFFAOYSA-N 393.342 3.627 0 40 GHAB O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(Cc1ccccc1Cl)C2=O 32095000 OYBKZYRCXQEKBD-UHFFFAOYSA-N 391.814 3.784 0 40 GHAB C[C@@H](NC(=O)COc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102280328 RRRPKXRIEOGBQQ-DRMAHVMPSA-N 382.460 3.852 0 40 GHAB Cc1nc(C(=O)NCc2ccccc2COC(C)C)nn1-c1ccc(F)cc1 32787408 TVELKWRZYAEDDC-UHFFFAOYSA-N 382.439 3.570 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NC[C@@H](c1cccs1)N1CCOCC1 32902338 RRUXZKVBCZJXOB-OZSKJFCKSA-N 376.909 3.604 0 40 GHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CN1C(=O)CCOc2ccccc21 21923389 OUHLUISGZYRKTJ-UHFFFAOYSA-N 380.488 3.758 0 40 GHAB O=C(CCc1nc(CSc2nc3ccccc3[nH]2)no1)Nc1ccccc1 33270697 KNHMVNAWRIJCCR-UHFFFAOYSA-N 379.445 3.810 0 40 GHAB CCOC(=O)c1sc(NC(=O)Cc2ccc(F)cc2)c(C(=O)OCC)c1C 669217 FDNDGKWOGNTVDM-UHFFFAOYSA-N 393.436 3.730 0 40 GHAB Cc1ccc(=O)n([C@H](C(=O)N[C@H](C)c2ccccc2)C(=O)c2ccc(F)cc2)c1 819551 OIFOIKKGNJJSNA-IERDGZPVSA-N 392.430 3.597 0 40 GHAB CC(C)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O 846505 DSNZGSOTFNKJAI-MRXNPFEDSA-N 390.361 3.965 0 40 GHAB C[C@H]1CCCN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)C1 905227 TXNFARMTVHVZBG-INIZCTEOSA-N 393.516 3.680 0 40 GHAB CCOc1ccc(/C=C/C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1OCC 938681 CWTQNZACUIZOON-TUPIDYKKSA-N 389.477 3.839 0 40 GHAB CCOc1cc(/C=C2/SC(=S)N=C2O)cc(Cl)c1OCC(=O)OC 1138031 GMWOIWWCWJYQFR-IZZDOVSWSA-N 387.866 3.620 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)cc1 2447732 PBZRHGBGEUSDFG-UHFFFAOYSA-N 382.489 3.838 0 40 GHAB COc1ccc(-c2nc3ccc(Cl)cn3c2CN2CCC(C(=O)O)CC2)cc1 2528850 MYIRIRBBZBNKOT-UHFFFAOYSA-N 399.878 3.960 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 2626847 BDPNGTILKZPIDQ-HSZRJFAPSA-N 393.487 3.698 0 40 GHAB O=C(O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c1 2627738 GBMGHPJYKNEAGN-UHFFFAOYSA-N 394.663 3.824 0 40 GHAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1ccccc1Cl 2724957 WJFYFAVYJMMIJF-SANMLTNESA-N 389.839 3.679 0 40 GHAB CCc1ccc(C(=O)COC(=O)c2ccc(I)cc2)cc1 3273866 HHUVKIBMOMATOQ-UHFFFAOYSA-N 394.208 3.893 0 40 GHAB O=C(COc1ccc(Br)cc1CO)N[C@H]1CCCc2ccccc21 3324722 SNBTWERYQXCHKD-KRWDZBQOSA-N 390.277 3.514 0 40 GHAB COC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCC2 3382603 DWQAJKXSABFWGL-VQHVLOKHSA-N 385.441 3.794 0 40 GHAB CC(=O)Nc1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1 3508315 AEFQBMYRWXWTGX-UHFFFAOYSA-N 376.412 3.523 0 40 GHAB Cc1cc(C)n2nc(SCc3cc(=O)oc4cc5c(cc34)CCC5)nc2n1 3551241 FMBDXIYZRWLWGB-UHFFFAOYSA-N 378.457 3.629 0 40 GHAB CN(C(=O)Cc1c[nH]c2ccccc12)C1(C(=O)NC2CCCC2)CCCCC1 3625993 URIKYUADQHPOAZ-UHFFFAOYSA-N 381.520 3.931 0 40 GHAB COCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cccs1 4161522 GXUUAWUYGFBMOV-UHFFFAOYSA-N 388.518 3.692 0 40 GHAB Fc1cccc(CSc2nnc3ccc(-c4ccc5c(c4)OCO5)nn23)c1 4376692 GLLBVKACNSJKRQ-UHFFFAOYSA-N 380.404 3.951 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 4682299 HZZGKAWQWRKTKH-UHFFFAOYSA-N 378.469 3.662 0 40 GHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 4694784 AKHKGUORMCEIGZ-LICLKQGHSA-N 399.424 3.749 0 40 GHAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cc(OC)ccc1OC 4731451 FPGZGXVIRCWXGU-LJQANCHMSA-N 379.416 3.515 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc(Br)ccc1Cl 5652389 QLSMKMBKVHWCID-HZMBPMFUSA-N 388.689 3.954 0 40 GHAB O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccccc1O 6121028 CHZHRZHZBMMJDE-UHFFFAOYSA-N 389.451 3.821 0 40 GHAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1 6238413 IXTHXOTVSJTCLI-UHFFFAOYSA-N 392.278 3.534 0 40 GHAB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)CC1 6308094 NMNOXJBGVOLIDS-DHDCSXOGSA-N 396.871 3.774 0 40 GHAB Cc1ccc(/C=C(\C(=O)O)c2ccc(S(=O)(=O)N3CCCC3)s2)s1 6431800 MURBISKWKKNBNW-RAXLEYEMSA-N 383.516 3.528 0 40 GHAB O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1cc(Cl)ccc1O 6476895 OBDKHTOPAGQXRJ-UHFFFAOYSA-N 375.833 3.611 0 40 GHAB CC[C@@H]1CCc2c(sc3nc(Cc4nc5ccccc5n4C)[nH]c(=O)c23)C1 6550574 LGCNESWLTDPPPW-GFCCVEGCSA-N 378.501 3.977 0 40 GHAB COc1ccc(CNC(=O)CSc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 6966757 MFHOOHRICIAEQS-UHFFFAOYSA-N 396.516 3.610 0 40 GHAB Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(C)o1 7265331 AHHVDZNOSKRFAY-UHFFFAOYSA-N 376.478 3.632 0 40 GHAB O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 7612581 KPFPFPRKBLDIKW-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(COc2ccccc2)cc1 7756841 RRPMTJLQKGOFTG-HXUWFJFHSA-N 375.424 3.835 0 40 GHAB O=C(Cn1ncc2ccccc2c1=O)N(CCc1ccccc1)Cc1ccccc1 7813937 AXAXFMBBVZTPTC-UHFFFAOYSA-N 397.478 3.668 0 40 GHAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1[nH]c(C)c(C(C)=O)c1C 7980724 ULTFABLBQOFTQC-UHFFFAOYSA-N 394.475 3.513 0 40 GHAB C[C@@H]1C[C@H](Sc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)C(=O)O1 8191022 MNUMFQDQPZNASF-DYVFJYSZSA-N 383.448 3.793 0 40 GHAB O=c1cc(CN2CCC(c3nc4ccccc4s3)CC2)nc2sccn12 8191708 XLANOZOFBYRTMP-UHFFFAOYSA-N 382.514 3.745 0 40 GHAB CCOc1ncccc1C(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 8883585 UKHVQTQZKQRTKE-UHFFFAOYSA-N 392.402 3.895 0 40 GHAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc(-c2ccccc2)[nH]n1 9902898 PDBBJEKWOZUHMX-UHFFFAOYSA-N 382.851 3.819 0 40 GHAB Cn1c(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1C1CC1 10028450 OYOZWLUAFZGBDQ-UHFFFAOYSA-N 385.474 3.543 0 40 GHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)OCc1cn2cc(Cl)ccc2n1 10712023 WWPNCZLBRKGEII-UHFFFAOYSA-N 393.226 3.698 0 40 GHAB Cc1cc2cc(CNc3ccc(N4CCN(C)CC4)cc3)c(=O)[nH]c2cc1C 12088271 ISNQIGPVIWCCCA-UHFFFAOYSA-N 376.504 3.509 0 40 GHAB CCOc1cc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2cccnc2)ccc1OC 12134991 BIJHRSLOPPGMTG-DETIRCLXSA-N 382.504 3.609 0 40 GHAB O=C1C[C@H](c2nc(-c3ccccc3Cl)no2)CN1c1ccc2c(c1)OCO2 12416015 IKGMZFYSRRWSMX-NSHDSACASA-N 383.791 3.639 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1 12769534 VHOJXCINZZIBBA-HUUCEWRRSA-N 390.480 3.745 0 40 GHAB Cc1ccc([C@@H](NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 12810128 OWAWBUYPOYIYBY-HXUWFJFHSA-N 392.484 3.544 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1cc(OC)c(OC)c(OC)c1)O[C@@H](C)C2 12906067 FQGHMCRHQXMQKH-LBPRGKRZSA-N 387.432 3.687 0 40 GHAB COc1ccc(-c2nc(C(=O)NCC(=O)Nc3cccc(C)c3C)cs2)cc1 12907351 IKWCNPVTWXEQFC-UHFFFAOYSA-N 395.484 3.804 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)CCC3)c(C)c1 13069829 CMURCBVCMQFTLZ-UHFFFAOYSA-N 379.504 3.610 0 40 GHAB O=C(COCC(=O)Nc1ccc(Oc2ccccc2)cc1)NCc1ccccc1 13844797 CWAISKFKHZMBTE-UHFFFAOYSA-N 390.439 3.750 0 40 GHAB COCCn1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N\c1c(C)cccc1C 14067142 NLXDANHPSFQMKG-LNVKXUELSA-N 397.500 3.517 0 40 GHAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(C2CC2)nn1-c1ccccc1 14093332 IRJMAXXHPNBLCF-HXUWFJFHSA-N 386.499 3.754 0 40 GHAB CC(C)(C)c1ccccc1OC[C@@H](O)CSc1nnnn1Cc1ccccc1 14238500 KDIXGFLWGMOMJW-QGZVFWFLSA-N 398.532 3.551 0 40 GHAB O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCCc2ccccc21 16023062 SFIVZWOFTBKDMD-UHFFFAOYSA-N 398.528 3.844 0 40 GHAB CCOc1ccc(NC(=O)Cn2cc(-c3ccc(F)cc3)[n+]3c2CCC3)cc1 17014878 PFWFNPAWXOWBJX-UHFFFAOYSA-O 380.443 3.565 0 40 GHAB Cc1ccccc1N1C(=O)C[C@H](NCCc2c[nH]c3ccc(Cl)cc23)C1=O 18088262 KFADKKBNKIWSHI-SFHVURJKSA-N 381.863 3.594 0 40 GHAB Cc1cc(-c2cnn(C)c2[C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)on1 19124395 CIIJSQNEVUCAJJ-SFHVURJKSA-N 382.439 3.819 0 40 GHAB Cc1ccc([C@H](C)C(=O)N2CCC(c3cc(C(F)F)n4ncnc4n3)CC2)cc1 19135809 SMRZWACGUCBCJY-AWEZNQCLSA-N 399.445 3.880 0 40 GHAB CCn1cc(CN2CCO[C@@H](c3ccc(Cc4ccc(C)cc4)cn3)C2)cn1 19692216 XTWPHMDOZOUXAL-HSZRJFAPSA-N 376.504 3.771 0 40 GHAB Cn1cnc2cc(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)ccc21 19718442 OPBMBKRPBOWCSL-UHFFFAOYSA-N 378.476 3.690 0 40 GHAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)n1nc(-c2ccc(C)cc2)ccc1=O 20095423 HLPRFGPBBUORCN-SFHVURJKSA-N 391.427 3.537 0 40 GHAB CCOC(=O)c1cnc2c(cnn2C)c1NCc1cccc(C(F)(F)F)c1 20390283 GJNJXVFFIRHCRJ-UHFFFAOYSA-N 378.354 3.776 0 40 GHAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NCCC1=CCCCC1 20494240 PRNPAGWEVUUAOH-UHFFFAOYSA-N 384.432 3.594 0 40 GHAB CCCc1c(C)n(CC(=O)c2ccc(F)cc2)c2nc3ccccc3n2c1=O 20798242 YAGFYJLLSPZNNB-UHFFFAOYSA-N 377.419 3.932 0 40 GHAB Cc1ccc(Oc2ccc(NC(=S)NCCCN3CCOCC3)cc2)cc1 21548716 GLWSQWLMNQKDME-UHFFFAOYSA-N 385.533 3.796 0 40 GHAB Cc1ccc2c(CC(=O)NC[C@@H](c3cccs3)N3CCOCC3)coc2c1C 22358303 QYYGHPJHGXAEND-IBGZPJMESA-N 398.528 3.843 0 40 GHAB NC(=O)COc1cccc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)c1 22527953 MHETUFIYZIRFCT-UHFFFAOYSA-N 399.450 3.811 0 40 GHAB Cc1ccccc1CN1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 22930955 HHVWIMSHVUNKRH-UHFFFAOYSA-N 389.902 3.934 0 40 GHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCC(C)(c1ccccc1)c1ccccc1 24394575 ZLEILNFXHSNYME-UHFFFAOYSA-N 387.439 3.561 0 40 GHAB Cc1cccc(N2CCN(CCCCNC(=O)CCc3ccccc3F)CC2)c1 26956230 FLXQWRVPTJSDKD-UHFFFAOYSA-N 397.538 3.785 0 40 GHAB CC(C)c1ccc(-c2noc(CCC(=O)Nn3cnc4ccccc43)n2)cc1 27043651 RPWJURQMCKHYHX-UHFFFAOYSA-N 375.432 3.913 0 40 GHAB O=c1c(Cl)c(N2CCC([C@H](O)c3ccccc3)CC2)cnn1-c1ccccc1 29413685 PNVHCVJCYBXVEX-OAQYLSRUSA-N 395.890 3.836 0 40 GHAB O=C1Nc2ccccc2[C@]12CC(O)=Nc1c2cnn1Cc1ccccc1Cl 32093946 RREPZQYRGNBGMY-FQEVSTJZSA-N 378.819 3.815 0 40 GHAB COc1ccc(Nc2nc(NCCc3cccs3)nc3c2cnn3C)cc1 32620499 IFUGQSXXLUZYHJ-UHFFFAOYSA-N 380.477 3.832 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)NC[C@@H]1CCN(C2CC2)C1 32912671 MPIDOHLZRCOOSP-IBGZPJMESA-N 377.532 3.992 0 40 GHAB O=C(c1c(O)c(Cl)cc(Cl)c1Cl)N1CCN(c2ccncc2)CC1 32914264 IXZUUJKMUSLIOK-UHFFFAOYSA-N 386.666 3.710 0 40 GHAB O=C([C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2)N1CCOCC1 36365116 YSPSNNSJIZEGTR-OAQYLSRUSA-N 390.483 3.602 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 36722737 VVXRZSDEFYJAIM-UHFFFAOYSA-N 397.452 3.853 0 40 GHAB COc1ccc(C)cc1/C=C/C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 40090924 HISBNNIIFISTOC-PDFOZTTASA-N 384.520 3.514 0 40 GHAB COc1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 40146190 WIDYAELANFLJDI-UHFFFAOYSA-N 376.478 3.617 0 40 GHAB COc1ccccc1N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 48355787 BQRCPCQKBDTKRQ-UHFFFAOYSA-N 393.409 3.988 0 40 GHAB Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 55649073 YXYZCGVTPZHPTP-UHFFFAOYSA-N 377.388 3.780 0 40 GHAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2ccccc2O)CC1 57688367 WTBATTCAZHVUKK-CQSZACIVSA-N 384.867 3.979 0 40 GHAB CC(C)c1noc(CCCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)n1 58107024 PWAWSCQOAOIIGP-HOTGVXAUSA-N 386.496 3.768 0 40 GHAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccccc1CN(C)C1CCCCC1 58155684 AHIJDHLGWNUWCU-QGZVFWFLSA-N 386.540 3.584 0 40 GHAB CC[C@]1(c2ccc(C)cc2)NC(=O)N(CN(Cc2ccc(F)cc2)C2CC2)C1=O 58173558 GGJYYCVJZHICAN-HSZRJFAPSA-N 395.478 3.913 0 40 GHAB CCOc1ccc(-c2csc(NC3=NS(=O)(=O)c4ccccc43)n2)cc1 59267228 PJOPBHWOBYCHFO-UHFFFAOYSA-N 385.470 3.770 0 40 GHAB CCn1c2ccccc2c2cc(/C=C/C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)ccc21 69741297 HMJPHJWYOIEOLS-PZQFMBMYSA-N 389.499 3.940 0 40 GHAB CC(=O)Nc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 72378009 FPWUUVYMQHOCDN-FQEVSTJZSA-N 388.475 3.911 0 40 GHAB COC(=O)C[C@H](c1cccnc1)c1oc(CSc2ccccc2)cc(=O)c1O 95476974 GSCPEEUEYAPDFN-QGZVFWFLSA-N 397.452 3.728 0 40 GHAB Cc1ccc([C@@H]2[C@H]3C(=O)N(C(C)C)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 95909119 YZTAPIFIOPKYTP-QRVBRYPASA-N 384.863 3.903 0 40 GHAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21)N1CCCC1 96242079 HGCIDAAOOCLPDQ-GOSISDBHSA-N 392.499 3.953 0 40 GHAB CC(C)NC(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCCC1)c1ccccc1O2 96242969 OPMBZMUZSGGVET-SFHVURJKSA-N 399.535 3.518 0 40 GHAB COc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)NC(C)(C)C)cc1OC 199427071 DPZGREKQMWWFTH-LJQANCHMSA-N 382.504 3.545 0 40 GHAB O=C(CSCc1ccccc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206786092 IRJMOBDVZYKXLY-INIZCTEOSA-N 395.450 3.729 0 40 GHAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccccc1 217475147 VBJMKXFCZZRDDS-CQSZACIVSA-N 376.478 3.636 0 40 GHAB COc1ccccc1CC(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220920527 KZBNRIOKCSMPIP-HNNXBMFYSA-N 397.500 3.831 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc12 222476790 HQODIOVWQJAQDL-SFHVURJKSA-N 390.483 3.690 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)CSCc1cccc(C)c1 222739563 UAMPOBGISMQWJE-UHFFFAOYSA-N 386.517 3.633 0 40 GHAB CCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 222750763 PLAWMTANVNECIC-NRFANRHFSA-N 384.495 3.948 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 223012290 YQUVNFPIMDWKRK-IBGZPJMESA-N 390.886 3.883 0 40 GHAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccn1)c1ccccc1 223473489 CIXQNLGSPOHKIZ-JOCHJYFZSA-N 391.446 3.627 0 40 GHAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1C 223560790 CYYLXGTXKGRPOW-FQEVSTJZSA-N 380.532 3.914 0 40 GHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)[nH]1 223916270 IZMHHTYIXNANSZ-UXHICEINSA-N 377.517 3.961 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 224172528 LSOJPNRBUQYYBT-HXUWFJFHSA-N 396.531 3.872 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(C)cc1 225159978 KQBIIJDVSUVIFV-FQEVSTJZSA-N 398.528 3.724 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225212588 RRSJYWGWEHYTME-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1cccc(N2CCCC2=O)c1 225638306 QMPHNIIRYSLJIJ-INIZCTEOSA-N 383.517 3.876 0 40 GHAB COC(=O)CSc1nnc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)s1 225650527 GIUNJLVRBNTGCW-JXMROGBWSA-N 391.518 3.753 0 40 GHAB O=C(Nc1ccc(Br)cc1F)c1ccc(OC2CCOCC2)nc1 225711544 MFHXYGDMAPNOLW-UHFFFAOYSA-N 395.228 3.793 0 40 GHAB COc1cc(N2CCC(C)CC2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225957197 XKWWDPITWGNJJV-HNNXBMFYSA-N 385.537 3.769 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC(C)(C)C)ccc32)cc1 226090250 YLRUOENKMFSZRE-UHFFFAOYSA-N 386.517 3.522 0 40 GHAB C[C@H]1Cc2cc(C(=O)NCC(C)(C)C)ccc2N1S(=O)(=O)c1ccccc1 226090713 AYMOTFKASWCZFB-HNNXBMFYSA-N 386.517 3.602 0 40 GHAB Cc1nn(CCNS(=O)(=O)c2ccc(Cl)s2)c(C)c1-c1ccccc1 238861665 KURBLBPXNBCMFJ-UHFFFAOYSA-N 395.937 3.860 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1 253592702 XQQAUFJSHYMKFJ-AAORUROXSA-N 394.490 3.785 0 40 GHAB CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCN(Cc3ccccc3C)C2)nc1C 257285089 PFPNZPNCVHYGJJ-NRFANRHFSA-N 394.563 3.802 0 40 GHAB CN(C)Cc1cn(-c2ccccc2C(=O)NCCc2cccc(Cl)c2)cn1 257287028 POEPUWUCVUTCJA-UHFFFAOYSA-N 382.895 3.560 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCCc2cccc(F)c2)[C@@H]1c1ccccc1F 257309313 UAKLVDHNKIIGPB-NQIIRXRSSA-N 386.442 3.623 0 40 GHAB CCc1onc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 257323614 WLCBALFLPJDEBB-SHTZXODSSA-N 395.463 3.694 0 40 GHAB O=C(NC1CCC(O)CC1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257342222 ZNQDAAGRJAUIRP-UHFFFAOYSA-N 394.515 3.508 0 40 GHAB COc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NC2CCCCCC2)n1 260715352 NJZKPXCXXWPUMV-AWEZNQCLSA-N 377.558 3.731 0 40 GHAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 408552126 OMXAJJHNWPCFCK-UHFFFAOYSA-N 376.478 3.579 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O 408559186 USHNKDVFJGMJAS-NSHDSACASA-N 387.288 3.787 0 40 GHAB COc1cccc2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)oc12 408701773 FNRQWLOSPGDTIS-OAHLLOKOSA-N 394.427 3.603 0 40 GHAB C[C@@]1(O)CCN(Cc2cccnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 514290358 YNEGMWZQPBVIKH-JAXLGGSGSA-N 399.560 3.516 0 40 GHAB biogenic,in-vitro Cc1cc(NC(=O)[C@@H]2C[C@H]2c2csc(Br)c2)ccc1OCCO 529006835 TZLZPWFIAWZGLZ-UONOGXRCSA-N 396.306 3.932 0 40 GHAB O=C(O)c1ccc(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)s1 570818366 RDZAYNVGDCTTFL-AWEZNQCLSA-N 387.379 3.918 0 40 GHAB CCn1cc(-c2noc(CNC(=O)c3ccc(-c4cccs4)cc3)n2)cn1 585400945 ISIPPDJGYRTONT-UHFFFAOYSA-N 379.445 3.612 0 40 GHAB COc1cccc([C@H](C(=O)O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 634691884 QHSUHCRELBYJNG-QZTJIDSGSA-N 379.815 3.687 0 40 GHAB O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)[C@@H]1CC[C@H](C2CC2)N1 653086174 JDRFDGKWOXLSCA-OLZOCXBDSA-N 379.432 3.881 0 40 GHAB O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1onc2c1CCCC2 1632822338 GUUHZKJEAVFKSL-NSHDSACASA-N 380.275 3.869 0 40 GHAB O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1CCCCNC1=O 42480105 ZWKJSMJIIWTYNP-IHVVCDCBSA-N 394.315 3.522 0 40 GHAB CCOc1ccccc1NC(=O)c1sc(NC(=O)CC)c(C(=O)OC)c1C 871492 OVXJBEGUQXGHLU-UHFFFAOYSA-N 390.461 3.843 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nnc(CNc2ccc(Cl)cc2)o1 897323 NNJKRQYIEVEIGM-LBPRGKRZSA-N 380.901 3.828 0 40 GHAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccccc1OC 949599 NECAITNNUSKJPD-UHFFFAOYSA-N 380.400 3.950 0 40 GHAB CCC(CC)C(=O)N1CCC(NC(=O)[C@H](C)CCc2ccccc2F)CC1 79649446 KOEPODPEOGJFCH-MRXNPFEDSA-N 376.516 3.938 0 40 GHAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(-n3cccc3)cc2)cc1 23865110 RPBLUXIXEYRGCM-QHCPKHFHSA-N 389.499 3.589 0 40 GHAB Cn1c(SCC(=O)c2cccc(Br)c2)nnc1-c1ccncc1 2422203 ZGMGCOFMDLWIHM-UHFFFAOYSA-N 389.278 3.615 0 40 GHAB CN(CCOc1ccc(Cl)cc1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 24493352 QZKOYCPLMCVRBH-INIZCTEOSA-N 386.879 3.768 0 40 GHAB O=C1NC[C@H](CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)O1 24752884 UYEVZWMLVBTGIX-CYBMUJFWSA-N 393.896 3.756 0 40 GHAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N1CCCCC1 24809914 DYPSSFWWYJYTOD-UHFFFAOYSA-N 386.323 3.656 0 40 GHAB COC(=O)c1ccc(C(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)cc1 4588573 LGJQWIKTFBFWLB-UHFFFAOYSA-N 395.455 3.996 0 40 GHAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccc(Br)cc3)C2)n1 4968011 ZUGCACBUCCIQRZ-CQSZACIVSA-N 389.297 3.711 0 40 GHAB CN1C(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)C12CCCCC2 6006223 UHZGRUPLGSQCMT-UHFFFAOYSA-N 384.263 3.529 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 55405784 YXWHAUKPJBUSEA-KBPBESRZSA-N 392.906 3.823 0 40 GHAB O=C(Nc1ccccc1)c1cc(S(=O)(=O)NCCc2ccccc2)cs1 6681715 RUACZYYUVMHMEV-UHFFFAOYSA-N 386.498 3.521 0 40 GHAB O=C1N=C(O)[C@@]2(Cc3cccc(F)c3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 25185097 QTDAMFATORMQAT-VGSWGCGISA-N 393.418 3.850 0 40 GHAB COc1ccc(C(=O)Cn2nc(-c3ccccc3Br)ccc2=O)cc1 57486313 IXHXXGNFMBHAJW-UHFFFAOYSA-N 399.244 3.564 0 40 GHAB CCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1 57487994 XCKLZNDLKJOIRZ-UHFFFAOYSA-N 393.921 3.719 0 40 GHAB CSc1nc2nc(C)c(CCC(=O)N(C)[C@@H](C)c3ccccc3)c(C)n2n1 12777835 TVZYEPHTIAUPDV-AWEZNQCLSA-N 383.521 3.615 0 40 GHAB CCNc1nnc(SCc2nnc(-c3ccc(Br)o3)o2)s1 9723664 FXBXPFXEFUQNFM-UHFFFAOYSA-N 388.272 3.668 0 40 GHAB CCCCc1noc([C@@H](C)N2CCN(CCOc3ccc(Cl)cc3)CC2)n1 58194456 UCIKCIIIXMTYRB-MRXNPFEDSA-N 392.931 3.823 0 40 GHAB CC1CCN(Cc2cccc(CNC(=O)Nc3nnc(C4CC4)s3)c2)CC1 58282995 JFWMVCRXVVZJNC-UHFFFAOYSA-N 385.537 3.969 0 40 GHAB O=C(Cc1cc(O)nc(SCc2ccc(F)cc2)n1)N1CCc2ccccc21 23138074 LHWPXMQNLYJSOC-UHFFFAOYSA-N 395.459 3.745 0 40 GHAB CC(C)(C)n1/c(=N/C(=O)CCc2nnc(-c3ccsc3)o2)[nH]c2ccccc21 58314942 KYRWRVNCTNFKNI-UHFFFAOYSA-N 395.488 3.896 0 40 GHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(C)cs1 3346978 AREMRRSZKHFOKO-CYBMUJFWSA-N 383.926 3.595 0 40 GHAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)CCc1ccccc1 28198526 FYVMNBACBIBIFV-FXAWDEMLSA-N 384.545 3.676 0 40 GHAB COc1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc(OC)c1OC 10899256 BEYUUQINXOVSAG-UHFFFAOYSA-N 398.503 3.975 0 40 GHAB Cc1ccc([C@H](CNC(=O)Nc2ccccc2Cn2cccn2)N(C)C)cc1 62582027 GPHYLSNWCWNXME-NRFANRHFSA-N 377.492 3.664 0 40 GHAB O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1)[C@@H]1CCS(=O)(=O)C1 12809629 FDOFQCASIMVILQ-CQSZACIVSA-N 383.391 3.746 0 40 GHAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc2c(c1)OCCO2 12894233 GRSSXFUMPYDGRY-UHFFFAOYSA-N 391.471 3.757 0 40 GHAB COc1ccccc1-c1nnc(NC(=O)COc2ccccc2Cl)s1 2419687 YLIHHDYCRZKUOI-UHFFFAOYSA-N 375.837 3.885 0 40 GHAB COCC(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2cc(C)no2)CC1 100743797 JARMQUHLWIOIJP-IYBDPMFKSA-N 386.496 3.600 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)cc1 3621486 PODVYANZCRJTNC-SFHVURJKSA-N 395.440 3.547 0 40 GHAB Cc1noc(-c2ccccc2C(=O)NCc2ccccc2N2CCCCC2)n1 95465936 XSBXPLQHLFQMRL-UHFFFAOYSA-N 376.460 3.965 0 40 GHAB CC1(C)Cc2nc3ncn(Cc4c(Cl)cccc4Cl)c(=O)c3cc2CO1 13690167 WMHILTUBPMVEAA-UHFFFAOYSA-N 390.270 3.998 0 40 GHAB O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)Nc1cc(F)ccc1F 71327989 SGZZEXBMEWQJHC-UHFFFAOYSA-N 397.425 3.895 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2ccnc(OC(C)(C)C)c2)C1 95455358 GXQJUAGLXFWIRA-KRWDZBQOSA-N 377.529 3.996 0 40 GHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)c2ccccc2)CC1=O 408652481 OSUFSEXZPUVQLW-IBGZPJMESA-N 379.456 3.590 0 40 GHAB O=C([C@@H](Sc1nnc(-c2ccccc2F)o1)c1ccccc1)N1CCOCC1 5473683 DEJQFJPEGJDZNX-KRWDZBQOSA-N 399.447 3.568 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc3c(c2)OCCO3)c1C 6589850 UZUNDTOBHARHGP-LBPRGKRZSA-N 375.446 3.553 0 40 GHAB Cc1c(C(=O)N2CCN(CCc3ccccn3)CC2)oc2ccc(Cl)cc12 6719368 CSRUHNPNXLMAPM-UHFFFAOYSA-N 383.879 3.790 0 40 GHAB COc1ccc(C(=O)Nc2ccc(NC(=O)Cc3cccs3)cc2O)cc1 4945043 HHMGCNZJFICRIG-UHFFFAOYSA-N 382.441 3.896 0 40 GHAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccc(N2CCOCC2)cc1 4904142 KBCWNGYKDNDOHD-UHFFFAOYSA-N 379.382 3.593 0 40 GHAB CCCN(CCC)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[C@@H](C)CC 67238763 BFZHNSJLOODGHG-AWEZNQCLSA-N 378.542 3.745 0 40 GHAB Clc1ccc(-n2nnnc2SCc2nc(-c3cccs3)no2)cc1 7161156 KYUQDZJWBYIHEY-UHFFFAOYSA-N 376.854 3.720 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)c1C 68342978 JRYXQWYYUHOGTN-QGZVFWFLSA-N 399.516 3.605 0 40 GHAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)Nc1ccc2c(c1)CCC2 7799097 PKXZEVGGSBTVDW-UHFFFAOYSA-N 391.500 3.895 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c(F)c1 16110904 ZHWFRTWSFJFRGQ-UHFFFAOYSA-N 392.833 3.712 0 40 GHAB Cc1ccc(-n2c(CCC(=O)NCc3ccco3)nc3ccccc3c2=O)cc1 8074565 LCEGFSYMEULZQD-UHFFFAOYSA-N 387.439 3.536 0 40 GHAB C[C@@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1ccc(F)cc1 8313635 RRNBOFZQJWUROL-LLVKDONJSA-N 392.481 3.852 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)N2CCC[C@H]2[C@H](CC)c2ccccc2)cc1 71844427 KMBPBIOUFFBYEW-YADHBBJMSA-N 394.515 4.000 0 40 GHAB COCCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(F)cc1 8606611 PQEYVKMTAXUGPE-NRFANRHFSA-N 395.434 3.812 0 40 GHAB CC(=O)N[C@H](CC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccs1 9796239 HYNRDIDIHFDBPQ-CQSZACIVSA-N 386.395 3.530 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)c1 9723554 SBFFEYMNTIOBIM-UHFFFAOYSA-N 397.481 3.947 0 40 GHAB CCCCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)c1 21633437 RWTJCOKGYDPBLA-UHFFFAOYSA-N 399.472 3.550 0 40 GHAB COCc1nn2c(-c3c(O)cc(C)oc3=O)ccnc2c1-c1cccc(Cl)c1 72260263 JNWCWSZEHVIDSJ-UHFFFAOYSA-N 397.818 3.830 0 40 GHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 20111063 YFQCIMUMRBJKSD-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)Nc3ccc(Cl)cc3)cc21 20800984 IKRSVNQTCGKENY-LLVKDONJSA-N 382.803 3.786 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2CC)cc1 409411808 LMVXGXCEYCWKKP-UHFFFAOYSA-N 398.488 3.800 0 40 GHAB C[C@@H](C(=O)NC1CCCCCCC1)N1c2cccc3cccc(c23)S1(=O)=O 408618470 KNIRTEWQKJSCDU-HNNXBMFYSA-N 386.517 3.966 0 40 GHAB CC(C)c1nnc(CCC(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)o1 36752394 YTMRLSHXJJCIQT-UHFFFAOYSA-N 396.476 3.688 0 40 GHAB C[C@@H]1CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C[C@@H](C)O1 30807194 RUPXHWLLQDMSMP-VXGBXAGGSA-N 395.322 3.751 0 40 GHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(CN2CCOCC2)c1 219246688 ZDHHACKJLXFTFK-NRFANRHFSA-N 394.515 3.859 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCN(Cc2cncn2Cc2ccccc2)CC1 527324360 VVMQICBZGBANQZ-UHFFFAOYSA-N 394.906 3.543 0 40 GHAB CCCc1nc(-n2cccc2)sc1C(=O)N1CCN(c2ccccc2)CC1 49547107 BXJAKXFOTDFXSH-UHFFFAOYSA-N 380.517 3.849 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl 222633640 ANRWGFABFIJEFV-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 224087424 RVUGHJKDHNBQLN-KRWDZBQOSA-N 386.923 3.869 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl 225183012 VUQGRYPZVLPVCB-CYBMUJFWSA-N 395.286 3.536 0 40 GHAB COc1ccc(CC(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1OC 222939083 IVOSBNQMBOUVRA-GFCCVEGCSA-N 390.277 3.987 0 40 GHAB CC[C@@H](C(=O)N[C@H](CC)c1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O 44886320 TVDKBQRTYIWLSQ-UXHICEINSA-N 388.533 3.807 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)cc(C)c1Cl 225256757 DPOJUTGVEHXJSH-GOEBONIOSA-N 375.852 3.680 0 40 GHAB Cc1cccc2sc(OC3CN(C(=O)c4ccc5nsnc5c4)C3)nc12 77101033 GPXNSBBTUAMHSS-UHFFFAOYSA-N 382.470 3.513 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1Cl)N(c1ccccc1F)S(C)(=O)=O 220585693 SROUEJSKDLCQFS-OAHLLOKOSA-N 384.860 3.662 0 40 GHAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 222905757 UXSCGNDDBQDPQG-PMACEKPBSA-N 377.517 3.896 0 40 GHAB Cc1ccc(C(=O)NCC2=CCCCC2)cc1S(=O)(=O)N1CCCCCC1 224024334 BFROMFFQCRLXPO-UHFFFAOYSA-N 390.549 3.790 0 40 GHAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 223630166 KCMSUKMPCWEEJT-WOJBJXKFSA-N 379.485 3.697 0 40 GHAB CCc1cccc(NC(=O)N2CC[C@@]3(C[C@@H]3C(=O)N(C)Cc3ccccn3)C2)c1 96227433 NGBBIWSOHGAHST-NFBKMPQASA-N 392.503 3.547 0 40 GHAB COC(=O)c1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)cc1 95474704 PTSCNVAWVNENIZ-INIZCTEOSA-N 387.461 3.502 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccccc1Br 95476370 PECYJAQMJFMRBW-CYBMUJFWSA-N 382.283 3.944 0 40 GHAB Cc1ccnc(Oc2cc(NC(=O)N3CCO[C@H](C(F)F)C3)ccc2C)c1 585080348 UEMAXAMDNMHKDV-INIZCTEOSA-N 377.391 3.989 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cc(C)ccc2C)CC1 243443478 NDDTWEDESLEDLC-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB O=C(O)COc1ccccc1CN1C[C@H]2[C@@H](Oc3cccc(F)c3)CC[C@H]2C1 257211464 BYYSQYOJJBWHLH-DLVCFXQMSA-N 385.435 3.579 0 40 GHAB Cc1nc(C2CCN(C(C)C)CC2)cc(N2C(=O)OC[C@H]2Cc2ccccc2)n1 257311461 UJOBBABCGPYLSE-HXUWFJFHSA-N 394.519 3.941 0 40 GHAB O=C(c1cccnn1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257324430 WOQMVGIKHXNBRY-QFBILLFUSA-N 399.878 3.665 0 40 GHAB CC(=O)N1CC[C@H](NCCc2nc(-c3ccncc3)cs2)c2ccccc21 621755619 ZXHQPZMQUMMCOK-SFHVURJKSA-N 378.501 3.835 0 40 GHAB CC(C)(C)c1nnc2ccc(NC[C@H]3CCCN(Cc4ccccc4)C3)nn12 681384219 YLKSDVIZRQDCLD-GOSISDBHSA-N 378.524 3.746 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 96367752 OKPFSFLIGLOHNK-FQEVSTJZSA-N 386.835 3.990 0 40 GHAB CC(=O)NCC1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 47773689 MHEOAXXKYWBOEV-LBPRGKRZSA-N 396.413 3.665 0 40 GHAB COc1cccc([C@@H](CNC(=O)Cc2c(C)[nH]c3ccc(C)cc23)N(C)C)c1 40070125 KGOLXQXNXFFFBB-JOCHJYFZSA-N 379.504 3.755 0 40 GHAB Cc1nn(-c2cccc(F)c2)cc1C(=O)NCCOc1ccc2c(c1)CCC2 1264745219 XRVRIHFHPSQOHA-UHFFFAOYSA-N 379.435 3.617 0 40 GHAB O=C(COC(=O)c1ccc(F)cc1)Nc1ccccc1C(=O)c1ccccc1 5753918 ZODPONZCXFHBDO-UHFFFAOYSA-N 377.371 3.852 0 40 GHAB Cc1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1ccccc1O)C3 14607721 YMEPDDMUMPNYDC-CQSZACIVSA-N 388.402 3.857 0 40 GHAB Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)C2CCCCC2)cn1 12223162 VPVXRRZZOIBEHC-UHFFFAOYSA-N 393.491 3.913 0 40 GHAB CC[C@@H]1CCCCN1CC(=O)N1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1 12205515 BGCUJDRKFVLFAQ-GOSISDBHSA-N 398.469 3.780 0 40 GHAB COc1ccc(CN2CCC3(CCCNC3=O)CC2)cc1OCc1ccccc1 12227932 PVZKFEJMUOWKEV-UHFFFAOYSA-N 394.515 3.766 0 40 GHAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 23133668 HMIWFQRTMBHEHZ-UHFFFAOYSA-N 376.460 3.654 0 40 GHAB C[C@@H](NC(=O)c1cc(Br)ccc1F)c1ccc(NC(N)=O)cc1 36394358 KEPQAVARZLKERF-SECBINFHSA-N 380.217 3.570 0 40 GHAB C[C@@H](Nc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1Cl 5827626 NJDAMNYRXDVREQ-CYBMUJFWSA-N 377.847 3.755 0 40 GHAB COc1cc(C(=O)OCc2ccc(Br)cc2)cc(OC)c1OC 6421585 CAZMYXDGAUUSMQ-UHFFFAOYSA-N 381.222 3.832 0 40 GHAB O=S(=O)(c1ccc(SC[C@H]2CC2(Cl)Cl)nc1)N1CCCCCC1 10992370 ZLMDPUKBAXJXOW-GFCCVEGCSA-N 395.377 3.932 0 40 GHAB CN(c1ccccn1)C1CCN(c2ncc(Cl)cc2Br)CC1 1888930315 FZEGYAIYCIIPSX-UHFFFAOYSA-N 381.705 3.998 0 40 GHAB O=S(=O)(c1ccc(Br)cc1Cl)N1CCc2sccc2C1 12787182 ZTLARGSYUFAEDQ-UHFFFAOYSA-N 392.727 3.911 0 40 GHAB CC(=O)N1CCC[C@@]1(Cc1ccccc1-c1ccccc1)C(=O)NCC(F)F 2037834607 USBQSLFJUGRWPX-JOCHJYFZSA-N 386.442 3.659 0 40 GHAB CCSc1nc2ccsc2c(=O)n1C[C@H]1CC(=O)N(Cc2ccccc2)C1 2087151714 VBOAKUPFXHBDPU-HNNXBMFYSA-N 399.541 3.619 0 40 GHAB COc1ccc([C@]2(O)CN(c3cc(C)ccc3C)C3=[N+]2CCCCC3)cc1OC 2974523 NKUKYCYGXZDDRV-XMMPIXPASA-N 395.523 3.971 0 40 GHAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)c(C)c3)nc2)cc1 16844511 FBGCDDGWYWAXBA-UHFFFAOYSA-N 396.468 3.792 0 40 GHAB C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1F 40067821 PYRBHTTVWUDIQB-KBPBESRZSA-N 378.469 3.693 0 40 GHAB Cc1nn(-c2ccccc2)cc1CCCNS(=O)(=O)/C=C/c1ccccc1 30362624 YYJOVPVWDHMJNN-JQIJEIRASA-N 381.501 3.704 0 40 GHAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)Nc1ccc2c(c1)OCCCO2 40130179 OPQTVJRYNUKPRH-UHFFFAOYSA-N 395.434 3.971 0 40 GHAB O=C(Nc1ccc(F)cc1F)c1cn(-c2ccccc2Br)nn1 31873738 HTTHCDXPFHHOBZ-UHFFFAOYSA-N 379.164 3.560 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)C1 21330368 IEZATKTWBBOUFY-QGZVFWFLSA-N 386.517 3.771 0 40 GHAB Cc1cc2nc(C)c(CCC(=O)n3cccc/c3=N\C3CCCCC3)c(C)n2n1 21900053 WKMREAHBFVCKJI-NJNXFGOHSA-N 391.519 3.962 0 40 GHAB O=C(Nc1ccccc1N1CCCC1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O 53307452 UPFXZTRSMKOOBE-OAHLLOKOSA-N 385.414 3.557 0 40 GHAB NC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CCCC2 799423 TUYWOTKNXZPUNL-UHFFFAOYSA-N 379.279 3.741 0 40 GHAB COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1OC 803120 SMSJEYKCKFKCJJ-LSDHHAIUSA-N 385.855 3.677 0 40 GHAB CN(C)c1oc(Cc2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 635319 FAHQXAKHHRDUEM-UHFFFAOYSA-N 376.865 3.818 0 40 GHAB CCNC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(F)cc2)sc2c1CCCC2 702499 WXQHPINMPHQHIG-LBPRGKRZSA-N 390.480 3.922 0 40 GHAB CCOc1ccc([C@H]2C[C@@H](c3ccc(OC)c(OC)c3)n3ncnc3N2)cc1 803096 HHFWTJCXXSPCBI-MSOLQXFVSA-N 380.448 3.840 0 40 GHAB Cc1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1-c1ccc(F)cc1 807844 BABYSXUPZKMWTG-UHFFFAOYSA-N 385.464 3.585 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 886824 MLSIWBVEBITPNM-UHFFFAOYSA-N 381.436 3.993 0 40 GHAB O=C(N[C@@H](Nc1ccccc1C(=O)O)C(Cl)(Cl)Cl)c1cccs1 911071 AKDHOYKSVRJXGT-CYBMUJFWSA-N 393.679 3.985 0 40 GHAB CCCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccco1 1364388 JKIQWTVZROXEGB-UHFFFAOYSA-N 384.461 3.882 0 40 GHAB CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cc(OC)ccc3OC)NC(=O)CN21 2125829 CUYYICLGBBNNAK-UWHSVAFCSA-N 392.499 3.903 0 40 GHAB biogenic COc1cc2c(cc1OC)CN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1)CC2 2228589 ANCSQLAGXDXHFU-CYBMUJFWSA-N 375.852 3.709 0 40 GHAB CCCCCCn1c(N)c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc21 2323965 CFNGWOMTIJWHID-OAHLLOKOSA-N 395.507 3.656 0 40 GHAB CCCCc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)cc1 2383928 YXGPGXUJEOCWMK-UHFFFAOYSA-N 381.505 3.951 0 40 GHAB CC(C)Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21 2397366 QMIQLZBURIQOHA-UHFFFAOYSA-N 379.489 3.814 0 40 GHAB COc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 2622417 CQBMPLWLUSHFGY-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB Cc1cccc(NC(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)n1 2795739 ONPDDOQHBZTASD-UHFFFAOYSA-N 376.338 3.894 0 40 GHAB O=C(CCC(=O)c1cccs1)OCc1cc(=O)n2c(n1)sc1ccccc12 3350420 JAUBDOZDQQEAIU-UHFFFAOYSA-N 398.465 3.677 0 40 GHAB CCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3548665 IOCKGNXFUUKTMX-UHFFFAOYSA-N 386.517 3.984 0 40 GHAB CCn1cc(CC[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)c2ccccc21 3765572 UHXQNGVFKDVAMQ-INIZCTEOSA-N 386.517 3.969 0 40 GHAB O=C(c1ccccc1Br)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 4163596 GJIJAWMNSQXSRY-HZMBPMFUSA-N 391.187 3.702 0 40 GHAB O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)Oc1ccccc1 4519207 ZELFCBOCZKXZEI-GOSISDBHSA-N 389.404 3.722 0 40 GHAB COc1ccc(C)c2sc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc12 4583544 XVNJFLLHFZBAAZ-UHFFFAOYSA-N 385.464 3.715 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(=O)c2ccccc2o1 4966497 RJHGEEQLPQEMNT-SPYBWZPUSA-N 386.444 3.954 0 40 GHAB Cc1nnc(NC(=O)C2(NC(=O)Nc3c(C)cccc3C)CCCCC2)s1 4982205 COGUVBCXTKJIAK-UHFFFAOYSA-N 387.509 3.926 0 40 GHAB CCOc1ccc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 5215447 IVYBHLHKXBSWKS-UHFFFAOYSA-N 393.443 3.626 0 40 GHAB biogenic COc1ccc(Cl)c2sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)nc12 5256645 VJURBGPRXXBWFG-UHFFFAOYSA-N 396.877 3.614 0 40 GHAB Cc1cc2occ(CC(=O)OCC(=O)N(C)Cc3ccc(F)cc3)c2cc1C 5628237 SQQAQVVAJRSHFP-UHFFFAOYSA-N 383.419 3.933 0 40 GHAB Fc1cccc(-n2nnnc2SCCOc2cccc(Br)c2)c1 5796118 OXKNFPCCCXRWGE-UHFFFAOYSA-N 395.257 3.735 0 40 GHAB Cc1c(-c2ccccc2)oc2c(C(=O)NCCCn3ccnc3)cccc2c1=O 5902087 QZPMFYRIYNHBDC-UHFFFAOYSA-N 387.439 3.785 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1coc2cc(C)ccc12 6219930 YXNCCTHGPZZKMY-UHFFFAOYSA-N 383.400 3.726 0 40 GHAB COc1ccc([C@@H](O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 6411467 RIYDURCOLZBKPH-JOCHJYFZSA-N 393.464 3.969 0 40 GHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)[nH]1)Nc1ccc(C(=O)O)cc1 6495455 QBXWMTUPWZTGNE-UHFFFAOYSA-N 388.836 3.554 0 40 GHAB CCOc1ccc(-c2nnc(S)n2-c2ccc(Cl)c(C(=O)O)c2)cc1 6659492 WQBBETHXZKYZCA-UHFFFAOYSA-N 375.837 3.973 0 40 GHAB CCN(CC)C(=S)SCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 7006638 FNFNIFQJTDPKNX-UHFFFAOYSA-N 376.551 3.788 0 40 GHAB CCCNC(=O)[C@@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 7190158 YPBZSBHMHOTBME-CYBMUJFWSA-N 393.944 3.528 0 40 GHAB CCCn1nnnc1CSc1nnc(-c2cccs2)n1-c1ccccc1 7229024 NBVVXOWYJSXTOY-UHFFFAOYSA-N 383.506 3.685 0 40 GHAB COC(=O)c1ccccc1NC(=S)NC(=O)Cc1cccc2ccccc12 7274646 FHGAOKYSPGAXRX-UHFFFAOYSA-N 378.453 3.682 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3c(C)[nH]c4ccccc34)CC2=O)cc1 7429458 OCAKZUVIXXGDQA-MRXNPFEDSA-N 390.439 3.564 0 40 GHAB O=C(NCCC(c1ccccc1)c1ccccc1)c1n[nH]c(=O)c2ccccc12 7738703 UEWFCGZEJXEYJJ-UHFFFAOYSA-N 383.451 3.875 0 40 GHAB O=C(NCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccc(F)cc1 8086278 TYTRQZZHYOPXIN-UHFFFAOYSA-N 397.475 3.571 0 40 GHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](CC(C)C)c1ccccc1 8328494 FRGSEHBKEGXEBC-GOSISDBHSA-N 390.505 3.719 0 40 GHAB Cc1cc(Br)c(NC(=O)COC(=O)c2ccc(C=O)cc2)cc1C 8333820 MMHIQRQBAAGHGB-UHFFFAOYSA-N 390.233 3.674 0 40 GHAB CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(C)cc1C 8414553 QYAJJIOQASIVOR-UHFFFAOYSA-N 382.460 3.766 0 40 GHAB Cc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(F)cc2)cc1C 9237585 PTGYAICPWLEGEW-MSOLQXFVSA-N 397.479 3.740 0 40 GHAB Cc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 9306135 ZYEVEIBSMXWEQR-RDGPPVDQSA-N 394.515 3.594 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9608139 INZMKGKMVYTEOM-QKYXPGDISA-N 393.439 3.954 0 40 GHAB COc1ccc(SCCC(=O)Nc2nnc(-c3ccc(OC)cc3)o2)cc1 10219621 GXPNLQGPIVTEKL-UHFFFAOYSA-N 385.445 3.875 0 40 GHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc(F)c1)S(C)(=O)=O 10434424 ZVQFJQYUUWEZQD-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB CCn1cc(C(=O)OCc2cc(-c3cccs3)on2)c(=O)c2ccc(C)nc21 10551502 XWIPWDLHZDMEDP-UHFFFAOYSA-N 395.440 3.798 0 40 GHAB O=C(COc1ccccc1)Nc1nnc(-c2ccc(Br)s2)o1 11695468 CNWMOMRFXMCLHW-UHFFFAOYSA-N 380.223 3.578 0 40 GHAB COc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc(OC)c1OC 11913911 BJFAYNGKPNXULZ-UHFFFAOYSA-N 389.408 3.622 0 40 GHAB O=C(CSc1nccc2ccccc12)NCc1nc(-c2ccccc2)no1 12148632 HWJABQKFLMKXGL-UHFFFAOYSA-N 376.441 3.693 0 40 GHAB Cc1ccccc1COc1cn(CC(=O)Nc2cccc(F)c2)c(C)cc1=O 12230710 OIVHDQZQOUTKAB-UHFFFAOYSA-N 380.419 3.822 0 40 GHAB CN(C)[C@H](CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccco1 12749315 RHZQTJRVAWLXKK-LJQANCHMSA-N 377.444 3.565 0 40 GHAB CN(C)C(=O)[C@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1 12796282 PWYFOZNUSPKVFH-OAQYLSRUSA-N 389.503 3.913 0 40 GHAB Cc1ccc(OC[C@@H](O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 12866059 GXVKVZWONIUETE-KRWDZBQOSA-N 392.480 3.873 0 40 GHAB CSc1nc2nc(C)c(CCC(=O)N[C@@H](c3ccccc3)C(C)C)c(C)n2n1 12878072 OGKWCNZTBQOXQP-LJQANCHMSA-N 397.548 3.909 0 40 GHAB COc1cccc(CN(C)CC(=O)Nc2cc(C)nn2-c2ccccc2C)c1 12976833 TUEJJGJQTUBJAV-UHFFFAOYSA-N 378.476 3.568 0 40 GHAB CCC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)c2ccc(C)cc2)CC1 14291185 CNLBRRKTXLGCAX-UHFFFAOYSA-N 385.895 3.959 0 40 GHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 14604258 FDRRUVKZBLWNMD-UHFFFAOYSA-N 389.381 3.913 0 40 GHAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2c(F)cccc2Cl)c1C 16145126 XUGYRDXDWKTDTK-UHFFFAOYSA-N 398.887 3.527 0 40 GHAB COc1ccc(/C=C/c2nnc(NC(=O)c3ccc(OC)c(OC)c3)s2)cc1 17248607 KWXNXRMCOSSIFO-IZZDOVSWSA-N 397.456 3.987 0 40 GHAB COc1cccc(CC(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)c1 19564462 DWRRJMYSYIXTLF-ZDXQCDESSA-N 396.506 3.904 0 40 GHAB COc1ccc(OC)c(-c2n[nH]c(C(=O)N[C@H]3CCOc4ccccc43)c2C)c1 19666872 MUCRBWLHLNJUNJ-KRWDZBQOSA-N 393.443 3.656 0 40 GHAB Cc1ccc(OCc2nnc3sc([C@@H]4COc5ccccc5O4)nn23)cc1 19796862 COUKBTKWSNYWKI-INIZCTEOSA-N 380.429 3.586 0 40 GHAB CCn1cc(CN(C)C(=O)c2cccc(OCc3c(C)noc3C)c2)c(C)n1 20616388 MUJIUYZQLMPGKD-UHFFFAOYSA-N 382.464 3.667 0 40 GHAB CCn1cc(C(=O)NCCCOC(C)C)c(=O)c2cc(C(F)(F)F)ccc21 22236934 ZKPRQNKIRBPZKI-UHFFFAOYSA-N 384.398 3.585 0 40 GHAB CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1Cl 22311633 YYRHXVMNNDPDIE-IEBWSBKVSA-N 387.863 3.843 0 40 GHAB C[C@@]1(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)CC1(Cl)Cl 22700160 RYFVAZIGYCLGGH-AWEZNQCLSA-N 396.240 3.723 0 40 GHAB c1ccc2sc(CN3CCN(Cc4nc(-c5ccsc5)no4)CC3)nc2c1 22805110 FZOHTJIVXGVCEG-UHFFFAOYSA-N 397.529 3.726 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2c(C)cccc2C)cc1 26767259 KEQQPKIYTJGPDG-UHFFFAOYSA-N 388.533 3.905 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)o2)n1 27980481 CTQOVFPLJSTGPN-UHFFFAOYSA-N 398.894 3.757 0 40 GHAB CN1CCN(C(=S)N(C(=O)c2ccc(Cl)cc2)C2CCCCC2)CC1 31852181 WDSIZBBDZCEKOQ-UHFFFAOYSA-N 379.957 3.647 0 40 GHAB CCOc1cc(S(=O)(=O)Nc2ccccc2OCC)c(OCC)cc1C 32603679 QREDQWUCTGQWPC-UHFFFAOYSA-N 379.478 3.992 0 40 GHAB C[C@@H](C(=O)Nc1cccc(F)c1)[S@](=O)Cc1cccc(Br)c1 32800974 ATJCNPLRRUKRHA-SAHAZLINSA-N 384.270 3.864 0 40 GHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)NCc1cnn(-c2ccccc2)c1 32891581 GHTUKEVOAOYWBF-UHFFFAOYSA-N 386.402 3.815 0 40 GHAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1 32912621 RKOCIOONLFRQGB-OAHLLOKOSA-N 385.247 3.866 0 40 GHAB O=C(CSc1nnc2c(n1)[nH]c1ccc(Cl)cc12)NC1CCCCC1 35291698 VWBRJLRQLHVDGR-UHFFFAOYSA-N 375.885 3.701 0 40 GHAB COc1ccc2[nH]cc(C(=O)CN3CCc4cc(OC)c(OC)cc4[C@@H]3C)c2c1 35361919 PQYOHRVYXJEZLV-AWEZNQCLSA-N 394.471 3.996 0 40 GHAB biogenic O=c1[nH]c(N2CCC(Cc3ccccc3)CC2)nc2nccc(-c3ccccn3)c12 36360883 FUZRUCKONHUEDO-UHFFFAOYSA-N 397.482 3.839 0 40 GHAB O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccc(-n2cccn2)nc1 39548764 OOYVJZCNFAMUOI-UHFFFAOYSA-N 390.418 3.915 0 40 GHAB Cc1ccc(CN2CCC(C(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)CC2)cc1 39757658 UHKAJOMQFOZNDA-SFTDATJTSA-N 385.596 3.691 0 40 GHAB COC(=O)c1ccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)cc1 41077014 CNLZPDCQVQKGKX-UHFFFAOYSA-N 393.443 3.757 0 40 GHAB COc1cccc2ccn(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c12 44890699 WEVNPPZGJLWPGQ-UHFFFAOYSA-N 391.515 3.821 0 40 GHAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccccc2Br)CC1 47554865 UEOXMEZBSMHUDJ-UHFFFAOYSA-N 383.286 3.578 0 40 GHAB Cc1cccc(OCCCN2CCC(NC(=O)CCc3ccccc3)CC2)c1 47894371 QSYJSQCQEKPFIH-UHFFFAOYSA-N 380.532 3.977 0 40 GHAB Cc1cc(C)cc(OCCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 48288178 VSAMVNSSWBLNFA-UHFFFAOYSA-N 380.488 3.950 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)Cc1ccc2c(c1)CCCC2 48309242 QXOXHCOQNRGFAX-UHFFFAOYSA-N 378.516 3.603 0 40 GHAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2ccccc2Br)no1 49006325 CDMRHVQADIPMSR-UHFFFAOYSA-N 395.216 3.712 0 40 GHAB Cc1nnc2ccc(S(=O)(=O)N(Cc3ccccc3)c3cccc(F)c3)cn12 49408457 FUGNUGJSSIWGBC-UHFFFAOYSA-N 396.447 3.572 0 40 GHAB O=c1c(-c2ccc(F)cc2)c(C(F)(F)F)oc2c(COCCO)c(O)ccc12 57312216 OTEDWYRTANFYAU-UHFFFAOYSA-N 398.308 3.832 0 40 GHAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2O)CC1 58158786 PIWZIGIDGOYHMB-ZDUSSCGKSA-N 394.302 3.848 0 40 GHAB CSCC[C@@H]1NC(=S)N([C@H]2CCCc3cc(OC(F)F)ccc32)C1=O 58477824 IVAMBYYIPRODBX-KBPBESRZSA-N 386.489 3.504 0 40 GHAB O=C(CCNC(=O)c1cccs1)N[C@H]1CCCc2cc(OC(F)F)ccc21 58770916 DZJJVZVUFVSIFC-HNNXBMFYSA-N 394.443 3.663 0 40 GHAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1ccccn1)C(=O)OC2 62001509 ZAUFKCLUMXDUQL-NTUHNPAUSA-N 396.443 3.682 0 40 GHAB biogenic CCOc1ccc(-c2cc(C(=O)N3CCC(Cn4cccn4)CC3)no2)cc1C 62131156 YEWNSBUQSQDFIB-UHFFFAOYSA-N 394.475 3.798 0 40 GHAB Cc1ccc(C(=O)OCC(=O)NCc2cccc(Br)c2)cc1C 67197842 MPJIZQCGEHOUHV-UHFFFAOYSA-N 376.250 3.539 0 40 GHAB Cc1cc(C)c(NC(=O)c2nnn(CC(=O)Nc3ccccc3C)c2C)c(C)c1 67323485 WZQQSZZGESKKHX-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB CC(C)(C)c1nc(CN2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)no1 69952252 XDAKFKUPCAYJTC-GOSISDBHSA-N 388.556 3.760 0 40 GHAB Cn1nc(CC(=O)Nc2ccc(NC3CCCCC3)cc2)c2ccccc2c1=O 70010273 YPOMCRQXFIYJOZ-UHFFFAOYSA-N 390.487 3.859 0 40 GHAB Cc1ccc(C(=O)N2CCN(c3c(Cl)ccc4sc(N)nc34)CC2)cc1 72230126 PGSIEDLZKOQRGR-UHFFFAOYSA-N 386.908 3.803 0 40 GHAB Cc1nc(Nc2nnc(C)s2)cc([C@H]2CCCN2C(=O)c2ccccc2)n1 72360192 LGSQOKSKABQMSC-MRXNPFEDSA-N 380.477 3.666 0 40 GHAB COc1ccc(OC)c2c1cc(C(=O)Nc1nc(-c3cccnc3)cs1)n2C 72402285 UCMNYGWSFYDGKN-UHFFFAOYSA-N 394.456 3.966 0 40 GHAB CC(=O)c1c(C)cc(C)c(C[S@](=O)[C@@H](C)C(=O)N2CCCCCC2)c1C 75472132 XQQLLBLYJMZRAQ-HFJWLAOPSA-N 377.550 3.854 0 40 GHAB C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCCCSc1ccccc1 79068896 AXYXLPYWAQTNGG-OAHLLOKOSA-N 395.521 3.534 0 40 GHAB COC(=O)c1[nH]/c(=N/C(=O)c2ccc3nc(C)sc3c2)sc1C(C)C 79495045 PWGJFJIAUDMXCY-UHFFFAOYSA-N 375.475 3.645 0 40 GHAB CN1C(=O)C[C@@H](C(=O)Nc2nnc(C3CCCCC3)s2)[C@H]1c1ccccc1 95478429 RRDLDABHHUXNLD-NVXWUHKLSA-N 384.505 3.744 0 40 GHAB Cc1ccc2occ([C@H]3CC(=O)Oc4ccc5c(C)cc(=O)oc5c43)c(=O)c2c1 96220963 QFIPSPQZGQNRLQ-CQSZACIVSA-N 388.375 3.957 0 40 GHAB biogenic O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100642585 VBGSDXCUDCUKCY-LALPHHSUSA-N 393.896 3.699 0 40 GHAB CCCN(C[C@H]1CCCCO1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 106696712 MMWWEMHNMQFJBB-OAQYLSRUSA-N 392.503 3.901 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 223233695 CZCAHTAAGKJSNF-LJQANCHMSA-N 390.886 3.965 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 223769368 NCVNCZSXPSKXFJ-CQSZACIVSA-N 376.859 3.575 0 40 GHAB CN(c1ccccc1C(=O)NCC1=CCCCC1)S(=O)(=O)c1ccccc1 223863345 KXLVURIJLCXGEW-UHFFFAOYSA-N 384.501 3.742 0 40 GHAB Cc1cc(OCC(=O)NCCOc2ccccc2C)ccc1Br 224241765 PDQNNQIGWJJRKX-UHFFFAOYSA-N 378.266 3.640 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)cc(C)c1 225039415 MWZKHELTPZQSNE-IBGZPJMESA-N 396.531 3.798 0 40 GHAB CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 226259269 DVEXNRIPEIYMBS-UHFFFAOYSA-N 393.318 3.970 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 238900914 RMCRNFCDDPOJMV-SJORKVTESA-N 383.835 3.755 0 40 GHAB CCOC(=O)[C@H](C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 245240337 PFRRINIMSRUQHA-QVFZOTCZSA-N 396.524 3.600 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 408546184 RFUQHQZCZNIESX-CQSZACIVSA-N 380.897 3.750 0 40 GHAB COCCCN1C(=O)S/C(=C/c2cc(Br)ccc2OC)C1=O 409222840 XUQOTXRQFYAROG-UKTHLTGXSA-N 386.267 3.531 0 40 GHAB CN(C(=O)c1cc(-n2cccc2)ccn1)c1ccc(OCCN2CCCC2)cc1 514187402 XECLTSCAZJMRAZ-UHFFFAOYSA-N 390.487 3.624 0 40 GHAB Cc1ncccc1OC[C@@H]1CCCN1C(=O)c1ccc(O[C@H]2CC2(F)F)cc1 529498468 XVRZPMFUYBESQB-LPHOPBHVSA-N 388.414 3.860 0 40 GHAB CCc1ncncc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 530402067 IIWISGWQEJPQSW-ZDUSSCGKSA-N 379.291 3.745 0 40 GHAB CC[C@@H]1C[C@@H](NC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)CCO1 572508290 CVSJGYZYYFPWHR-JKSUJKDBSA-N 375.444 3.814 0 40 GHAB COc1cccc(-c2nc(C)c(C(=O)Nc3c4c(nn3C)CSC4)s2)c1 604418466 QFWKESCBZPCABE-UHFFFAOYSA-N 386.502 3.860 0 40 GHAB O=C(O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc2nc(C(F)F)[nH]c2c1 621588387 WYOAXGQOUDBYRP-HOTGVXAUSA-N 385.370 3.931 0 40 GHAB Cc1nc(-c2cccc(NC(=O)N[C@@H](C[C@@H]3CCCO3)C(F)(F)F)c2)no1 653953963 XTPOAKVCGHPSFA-KBPBESRZSA-N 384.358 3.667 0 40 GHAB CC(C)C(=O)N1CCCCCCCN(C(=O)[C@@H]2CCCN2)Cc2ccccc21 2037884797 DNHBENQFEKLAIE-FQEVSTJZSA-N 385.552 3.720 0 40 GHAB O=C([C@H]1CCCO1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 644980 WDHDVNAYHSVIOF-DOTOQJQBSA-N 389.249 3.899 0 40 GHAB Cc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccc2)cc1 877968 BAFUOBFEBYMMOD-UHFFFAOYSA-N 378.501 3.957 0 40 GHAB Cc1ccc(NC(=S)N(CCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 931872 JYUXQYDHIOJQHE-UHFFFAOYSA-N 395.528 3.645 0 40 GHAB CCOC(=O)c1c(NC(=O)CSc2ccccc2)sc(C(=O)OC)c1C 939368 KLOLEUPSAMYQCN-UHFFFAOYSA-N 393.486 3.751 0 40 GHAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1cccc(C(F)(F)F)c1)C(=O)C2 947876 ZLPFVDXUEVRGBT-ZBEGNZNMSA-N 375.412 3.843 0 40 GHAB CCC(CC)C(=O)Nc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)s1 1381589 SITQTVIOZLPUQW-RYUDHWBXSA-N 384.571 3.794 0 40 GHAB O=C(COc1ccc(Br)cc1)NCc1ccc(-n2cccc2)cc1 1426646 REZHPTVPNLMFDE-UHFFFAOYSA-N 385.261 3.935 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1SCc1ccccc1F 1428724 PYAPLTNJHIEYFZ-UHFFFAOYSA-N 384.885 3.773 0 40 GHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(OC)c4)ccc1c23 1448656 NAZKAVKQESNSNR-UHFFFAOYSA-N 382.441 3.629 0 40 GHAB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccccc1 1948900 KRCPIUMKKZOEPW-NSHDSACASA-N 380.227 3.538 0 40 GHAB COc1ccc(OCCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 3240333 UAPICIWKXCXYHH-UHFFFAOYSA-N 398.242 3.953 0 40 GHAB Cc1ccccc1OCC(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1 3288612 HCAFKOSTIJLYEC-UHFFFAOYSA-N 382.441 3.679 0 40 GHAB COc1ccc(CNC(=O)CCCOc2cccc(Br)c2)cc1 3409643 GUTARUBJFLNQFR-UHFFFAOYSA-N 378.266 3.933 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc(CO)cc2)c(C)n1Cc1cccs1 3418822 YJZWVNIIWZNWPL-UHFFFAOYSA-N 383.469 3.747 0 40 GHAB COc1cc2[nH]c(C(=O)N3CCCC[C@@H]3c3cccnc3)cc2c(OC)c1OC 4000511 OGWTVWXXFVGOGX-GOSISDBHSA-N 395.459 3.956 0 40 GHAB biogenic COc1ccc(NC(=O)c2nnn(-c3cccc(SC)c3)c2C)c(OC)c1 4316665 SEXWHLHPFHWEGT-UHFFFAOYSA-N 384.461 3.567 0 40 GHAB COc1ccc2c(C)c(CCC(=O)NCCc3ccc(F)cc3)c(=O)oc2c1 4743688 GRMDIZQAVRLPOQ-UHFFFAOYSA-N 383.419 3.541 0 40 GHAB CCN(CC)C[C@@H](OC)[C@H](COC)OC(=O)C(c1ccccc1)c1ccccc1 4792378 LZLUKZHCUAXOJV-YADHBBJMSA-N 399.531 3.734 0 40 GHAB O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 4907909 AOCUHULLLKTEEQ-UHFFFAOYSA-N 390.395 3.827 0 40 GHAB CCC[C@H](C)NC(=O)COC(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 4949748 XQLXAONSCBCQAN-ZDUSSCGKSA-N 387.501 3.984 0 40 GHAB CCc1ccc(CN(C(=O)c2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)cc1 5046354 VCVDJIWUOWIYON-LJQANCHMSA-N 391.920 3.732 0 40 GHAB O=C1c2ccccc2C[C@@H]1Sc1nnc(-c2ccccn2)c(-c2ccccn2)n1 5059581 PSXLKXQBBGSNDZ-SFHVURJKSA-N 397.463 3.895 0 40 GHAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c1 5118483 FBBWNKCHTFPAIW-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)OCc1cc(=O)oc2cc(C)ccc12 5149907 PPAHIGRDGMDNOV-UHFFFAOYSA-N 390.395 3.653 0 40 GHAB COc1ccc(C)c2sc(N3CCN(C(=O)CCc4ccccc4)CC3)nc12 5182686 DDHURWHUHJXDMQ-UHFFFAOYSA-N 395.528 3.895 0 40 GHAB O=C(CCCn1cnc2ccccc2c1=O)Nc1cccc(C(F)(F)F)c1 5241749 WHDBXHXDYWKABG-UHFFFAOYSA-N 375.350 3.834 0 40 GHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCc1cccs1 5320011 ABVDZIFAOUZHPB-UHFFFAOYSA-N 381.482 3.503 0 40 GHAB COc1cc(CCN2CCN(c3ccc(C)c(C)c3)CC2)cc(OC)c1OC 5337675 ACPDEWYYENWVHL-UHFFFAOYSA-N 384.520 3.694 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(F)c1 5560155 SKCFIKJNLIXHAU-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB Cc1nnc(S/C(=C\c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)O)[nH]1 6455880 OWCXHSUGXKIUOX-AUWJEWJLSA-N 390.352 3.638 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 6841746 RHAMUCNWYOONJJ-UHFFFAOYSA-N 386.517 3.651 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1 7059956 YPKNUYLPWFLINY-MDWZMJQESA-N 378.881 3.589 0 40 GHAB CCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O 7653600 JLMCNRFQZCODDT-GOSISDBHSA-N 383.851 3.699 0 40 GHAB COc1cc(NC(=O)c2cccs2)ccc1N1C(=O)c2ccccc2C1=O 8111637 CVTGFUWFBMLPKD-UHFFFAOYSA-N 378.409 3.810 0 40 GHAB CN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1N1CCCC1 8157123 YACLLJGFKXRFPW-UHFFFAOYSA-N 392.547 3.958 0 40 GHAB Cc1cc(C)c(OCC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 8349519 CYHVUAXDRVXTRI-SFHVURJKSA-N 378.476 3.791 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 8734237 CGNDTBOYEOTLHA-UHFFFAOYSA-N 378.407 3.711 0 40 GHAB COc1ccc(N2C[C@@H](c3nc(-c4ccc(C)cc4)no3)CC2=O)cc1OC 9318205 IGSQWRPAGKDDPQ-HNNXBMFYSA-N 379.416 3.583 0 40 GHAB CCc1nnc(NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)s1 9426414 YKFOSIYZAGAROY-UHFFFAOYSA-N 382.445 3.614 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 9551982 SCCKMLPQQNCWME-AWEZNQCLSA-N 396.443 3.986 0 40 GHAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccco1 9869413 KKBFBCVOAJGVCL-LBPRGKRZSA-N 386.452 3.982 0 40 GHAB CCCn1c(NC(=O)CCCn2c(=O)oc3ccccc32)nc2ccccc21 9884124 LTROMLRCINGEBL-UHFFFAOYSA-N 378.432 3.773 0 40 GHAB CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Br)o3)ccc21 10971947 BHXZHCOLSPHIEM-UHFFFAOYSA-N 393.237 3.676 0 40 GHAB CS(=O)(=O)c1ccccc1NC(=O)CNc1ccccc1-c1ccccc1 11619104 WWMNWUVXPGMLGN-UHFFFAOYSA-N 380.469 3.808 0 40 GHAB COc1ccc(C(C)(C)C)cc1CN1[C@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 12116985 MNXOUJBJJDGSTN-LIMIJEPZSA-N 383.536 3.741 0 40 GHAB CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2cccc3cccnc23)C1 12157660 SHSIGWCZXIHBGH-AZUAARDMSA-N 380.517 3.781 0 40 GHAB O=C1NC2=C(C(=O)N(Cc3cccs3)C2)[C@H](c2ccc(Cl)c(Cl)c2)N1 12347034 JNDJBGYCFNLNNP-HNNXBMFYSA-N 394.283 3.705 0 40 GHAB COc1ccc(-n2nnc(C(=O)OCc3cccc(F)c3)c2C)cc1Cl 12416107 KYYXTAZEBCNXSF-UHFFFAOYSA-N 375.787 3.734 0 40 GHAB Cc1cccc(N2CCN(Cn3ncn(-c4ccccc4)c3=S)CC2)c1C 12516806 WCKFDNFHKJMNBZ-UHFFFAOYSA-N 379.533 3.800 0 40 GHAB Cc1sc2nc(SCC(=O)Nc3ccc(F)c(F)c3)nc(N)c2c1C 12537982 OFXVLFCGQPWEHQ-UHFFFAOYSA-N 380.445 3.899 0 40 GHAB O=C(COc1ccc(F)cc1Cl)NCc1cccc(NC(=O)C2CC2)c1 12920324 BSPWPKDCPSVGFE-UHFFFAOYSA-N 376.815 3.523 0 40 GHAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc(N2CCOCC2)nc1 12930321 BTVOKPCHQIAHPA-HXUWFJFHSA-N 397.475 3.638 0 40 GHAB CN(C)C1(CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)CCCCC1 14202281 QZZLKJVFNNWECG-UHFFFAOYSA-N 385.533 3.995 0 40 GHAB COc1ccc(CC(=O)OCc2nc3ccccc3n2C(F)F)cc1OC 14902214 LRYKAFVLRKPQDH-UHFFFAOYSA-N 376.359 3.735 0 40 GHAB COc1ccccc1CNC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccco2)cc1 15369169 XDVFYHGAEHYRBS-HNNXBMFYSA-N 394.427 3.624 0 40 GHAB CCC(CC)C(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccco2)nc(C)n1 15672570 GXTOHSQVMJIERT-OTWHNJEPSA-N 396.535 3.775 0 40 GHAB biogenic,in-vitro O=C(COC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(Cl)s1 17134083 LVVPBZLYFJZCFP-UHFFFAOYSA-N 397.905 3.741 0 40 GHAB CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1CCCCC1 17356738 GJRWXAXXQSTOJM-UHFFFAOYSA-N 384.929 3.529 0 40 GHAB C/C(Cl)=C/CNC(=O)C1CCC2(CC1)CNC(=O)c1cc(Cl)ccc1O2 19014322 MEEKWJOMDIASGI-SDQBBNPISA-N 397.302 3.650 0 40 GHAB O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)c1nn2cccnc2c1Cl 19338189 PAJYQCHTYVXOQD-MRXNPFEDSA-N 398.253 3.951 0 40 GHAB C[C@@H](Cn1cncn1)C(=O)Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1 19457880 FJLJQLUCAFGTTR-ZDUSSCGKSA-N 381.402 3.562 0 40 GHAB Cc1cccc(CNc2n[nH]c3nc([C@@H]4CCCN4)cc(C(F)(F)F)c23)n1 19703373 LWZFMCCMIPSIPX-ZDUSSCGKSA-N 376.386 3.717 0 40 GHAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@](C)(C(=O)NC3CCCC3)C1)n2C 19746593 QZXKUQFXGVYTAE-QHCPKHFHSA-N 381.520 3.788 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1OC 20450368 DLMJBCVDMVSPAW-GFCCVEGCSA-N 377.462 3.840 0 40 GHAB CCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccco2)n2c1nc1ccccc12 20638242 NQZJXEVGKNJOOX-QZTJIDSGSA-N 381.432 3.545 0 40 GHAB C[C@H]1C(=O)N(CC(=O)NCCC2=CCCCC2)C(=O)N1c1ccc(Cl)cc1 20672453 GXPJJWGQQDNQRZ-AWEZNQCLSA-N 389.883 3.504 0 40 GHAB O=C1C[C@@H](NCCc2ccccc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 22079883 RSHZWDMMMKXUTH-MRXNPFEDSA-N 396.796 3.823 0 40 GHAB CC[C@H](NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)c1ccc(C)cc1 22192683 KRULWWLFFRUYAT-INIZCTEOSA-N 386.414 3.973 0 40 GHAB CCCOc1ccc(N(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1 22380067 NMACDDAZJJKWRC-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(Cl)c2)CC1 22460192 KFOGXLJGVWEUII-BEFAXECRSA-N 391.968 3.899 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)N1CCN(C/C=C/c2ccccc2)CC1 22774311 KFDSRYMGECQPKP-FFLQPZBESA-N 389.543 3.684 0 40 GHAB C[C@H](NC(=O)[C@H](C)N1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 23248943 VLFYJEQKEWNILC-ROUUACIJSA-N 385.939 3.724 0 40 GHAB O=C(CCc1cc2ccccc2o1)NC[C@@H](c1cccs1)N1CCOCC1 23596837 PORYZQLUXWTBDY-SFHVURJKSA-N 384.501 3.617 0 40 GHAB COc1cc(OC)cc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 24560090 UVERKFWHZORLKO-OAQYLSRUSA-N 391.471 3.756 0 40 GHAB CCOC(=O)c1cnn(-c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)c1C 24572427 NZLAZRZIEPIWNB-UHFFFAOYSA-N 393.443 3.547 0 40 GHAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccccc1 24607620 HZOXEKNTEUSTGJ-UHFFFAOYSA-N 382.416 3.640 0 40 GHAB CSc1ccc(C)c(C(=O)N2CSC[C@@H]2C(=O)NCc2ccccc2)c1 24666501 GVGCBDWNZRFZQX-GOSISDBHSA-N 386.542 3.548 0 40 GHAB C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)NCc1cccs1 25212657 VTIHOTHOASIDOF-LBPRGKRZSA-N 377.897 3.645 0 40 GHAB CC[C@H](C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1ccccc1 25297778 KYHMKIAJRGZEOD-BEFAXECRSA-N 377.448 3.610 0 40 GHAB COc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCCCCC2)cc1 27583135 QKANRQJWGQOVFH-JOCHJYFZSA-N 382.504 3.808 0 40 GHAB CCCCC1CCC(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)CC1 27664568 LQUDPKLQGVMOIK-ABHNRTSZSA-N 381.538 3.792 0 40 GHAB O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc(Cl)cc1Cl 28283942 LGHGNUSKGJKEBS-CHWSQXEVSA-N 387.288 3.730 0 40 GHAB O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cc(=O)c2ccccc2o1 28291704 YQEAOYJFWMKWGI-IBGZPJMESA-N 376.456 3.750 0 40 GHAB Cc1cccc(Nc2nnc(SCc3ccccc3Cl)n(N)c2=O)c1C 28535760 RZIZCSIXRSKJDP-UHFFFAOYSA-N 387.896 3.658 0 40 GHAB O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc2[nH]cnc2c1 29816452 HCQWZBBTCOEYEV-UHFFFAOYSA-N 375.457 3.834 0 40 GHAB Cn1cc(/C=C/C(=O)N2CCN(Cc3ccc(-c4ccccc4)s3)CC2)cn1 32031533 JVPFKDXIEAQZNN-JXMROGBWSA-N 392.528 3.506 0 40 GHAB COc1ccc(-c2nc(CC(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)cs2)cc1OC 32097147 GJCIGNXQKSICTH-IJEWVQPXSA-N 384.501 3.698 0 40 GHAB CC(=O)c1cccc(NC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)c1 32675786 IHIXTOUEHIJTFM-UHFFFAOYSA-N 375.428 3.505 0 40 GHAB COc1ccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccc(F)cc4)c32)cc1 35325497 FVIMGGXCGKFOQR-MRXNPFEDSA-N 380.375 3.797 0 40 GHAB Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4ccc(C)s4)CC3)n2)cc1 36763190 LCHJDJZXEDUGHS-MRXNPFEDSA-N 396.516 3.934 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCSCc1ccccn1 39563664 BIKGTHDVDRRZKK-INIZCTEOSA-N 381.505 3.505 0 40 GHAB Cc1ccccc1OCCCC(=O)N(C)Cc1ccccc1N1CCOCC1 40050271 QKNTZFJJHJVCGK-UHFFFAOYSA-N 382.504 3.649 0 40 GHAB Cc1cc(C)cc(Nc2c(C(=O)N3CCOCC3)cnc3nc(C)ccc23)c1 49004818 AYDPZZGFKHRQMX-UHFFFAOYSA-N 376.460 3.771 0 40 GHAB O=C(c1cccc(-n2ccc3ccccc32)c1)N1CCN(C(=O)c2ccco2)CC1 49027536 MZWUJUCVBREONS-UHFFFAOYSA-N 399.450 3.822 0 40 GHAB O=C(CSc1nccc(N2CCCCC2)n1)Nc1ccc(Cl)cc1F 49399622 AHHPAKDPUFAFRP-UHFFFAOYSA-N 380.876 3.990 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)c3ccccc3N[C@H]2CC(C)C)cc1 49550949 RIRYSLFNNDPZQY-HXUWFJFHSA-N 394.475 3.524 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)C1CCCCC1 56945787 WGWKHZIMSMZFPZ-NRFANRHFSA-N 399.510 3.979 0 40 GHAB CCc1cc(=O)n(CC(=O)N2CCCC[C@H]2CC)c(-c2cccc(Cl)c2)n1 57527542 HCEAFALEUQXWRP-GOSISDBHSA-N 387.911 3.917 0 40 GHAB CCN(CC)C[C@@H](C)NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 58210329 WJJACTQVKKCRMG-MRXNPFEDSA-N 389.519 3.520 0 40 GHAB O=C(Nc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3)C2)cc1)c1ccco1 58210514 QQAOUVCBDJKUNX-GOSISDBHSA-N 382.464 3.624 0 40 GHAB CC(=O)N(c1nnc(S[C@@H](C)C(=O)c2ccc(F)cc2F)s1)C1CC1 66779685 NRHKSEPNBXGTSW-QMMMGPOBSA-N 383.445 3.695 0 40 GHAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(C)c2C)c1C 71327168 LFUQCCJLIVZXHP-UHFFFAOYSA-N 391.475 3.657 0 40 GHAB O=S(=O)(c1cncc(Cl)c1O)N(Cc1ccccc1)Cc1ccccc1 72210818 LHQPHWJDCOGLBB-UHFFFAOYSA-N 388.876 3.832 0 40 GHAB Cn1cc(C(=O)N2CCC(c3nccnc3Oc3ccc(Cl)cc3)CC2)cn1 72362943 QGRNCKNQVCACNM-UHFFFAOYSA-N 397.866 3.676 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)cn1 72363175 USAYJGSXKYCHNJ-QGZVFWFLSA-N 390.443 3.692 0 40 GHAB O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1nc2ccccc2s1 77101145 CKBFINRRCLIUCA-UHFFFAOYSA-N 392.406 3.955 0 40 GHAB CC(C)[C@H]1N=C(O)c2ccccc2N(CC(=O)Nc2ccc(Cl)cc2)C1=O 80337535 NNMKTXGRJAQPCR-GOSISDBHSA-N 385.851 3.655 0 40 GHAB COC(=O)c1csc(NC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)c1 83925544 HSHOXNCXBQBBCE-OAHLLOKOSA-N 390.461 3.921 0 40 GHAB Cc1cc(C)n(-c2ccc(NC(=O)NC[C@H]3Cc4ccccc4O3)cc2F)n1 84105071 UBRHISANIAQPPE-QGZVFWFLSA-N 380.423 3.753 0 40 GHAB O=C(NC[C@@H]1CCCN(CCCN2CCCCC2)C1)Nc1cccc(F)c1 84372619 AEJXMCBETMYRDC-SFHVURJKSA-N 376.520 3.535 0 40 GHAB CCC(=O)N1CCc2cc(C(=O)N[C@H]3CCCC[C@@H]3OC3CCCC3)ccc21 89941728 WUUHYKBBTDLTIJ-FPOVZHCZSA-N 384.520 3.986 0 40 GHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)C(=O)Nc1ccc(F)c(Cl)c1 95365152 PINCUUNSYANOHM-UHFFFAOYSA-N 386.757 3.678 0 40 GHAB O=C(/C=C/c1cccs1)N1CCC(Oc2ncccc2Br)CC1 96096932 UXAWVXXINKRIJQ-AATRIKPKSA-N 393.306 3.989 0 40 GHAB COc1cccc(CN2CCC[C@@]3(CCN(Cc4cccnc4OC)C3)C2)c1 96215589 UHLXVUUQIDOCCO-HSZRJFAPSA-N 381.520 3.587 0 40 GHAB CC(C)NC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCCC1)c1ccccc12 96242118 WSQJMWOQCCIIQR-GOSISDBHSA-N 383.536 3.638 0 40 GHAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 101181907 BTAXHRMUPDJBLR-QAZUDHMPSA-N 384.657 3.547 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 113949618 QPJPFEOYYHVUGE-XLIONFOSSA-N 388.533 3.725 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c2ccccc12 205915467 SWPWGURQEXUISQ-LDADJPATSA-N 396.468 3.507 0 40 GHAB COc1cccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 219306762 NQKPNUVYNOSAKK-IFXJQAMLSA-N 385.460 3.890 0 40 GHAB CCc1ccccc1NC(=O)CCNC(=O)c1ccc2nc(Cl)n(C)c2c1 222548767 MSYOIBACZSUJPD-UHFFFAOYSA-N 384.867 3.548 0 40 GHAB Cc1c(Cl)cccc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222653088 JBCNGTPFVWEMHU-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 223062956 WWSUEIAINXGTHQ-SFTDATJTSA-N 392.528 3.881 0 40 GHAB CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCCOC)c1ccccc1 223342965 DDXSEOORVLIPTB-QFIPXVFZSA-N 382.504 3.709 0 40 GHAB CCC(C)(C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1 224062674 YPVYZDIEFPKTOA-UHFFFAOYSA-N 390.505 3.723 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C)C)c(Cl)c2)cc1 224237060 OTCHMQWKEYKDCZ-UHFFFAOYSA-N 380.897 3.612 0 40 GHAB O=C(COc1ccc2c(c1)CCCC2)NCc1ccccc1CN1CCCC1 224801560 FDIWTOKXNLQDNT-UHFFFAOYSA-N 378.516 3.856 0 40 GHAB Cc1ccc(CN(C(=O)COc2cc(C)ccc2C)[C@@H](C)C(=O)NC(C)C)cc1 225529813 PXHMMPFLZJDEPF-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 225750203 SQSROBXRLOLVRB-XMSQKQJNSA-N 396.531 3.960 0 40 GHAB C[C@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccc(F)cc3)n2)C1 225949633 VQSHSAYZOVTCAL-LBPRGKRZSA-N 393.919 3.992 0 40 GHAB C[C@H]1CCCN(c2cc(N3CCCC3)nc(NC(=S)NC3CCCC3)n2)C1 226005170 VAPRXZSHYMNBBE-HNNXBMFYSA-N 388.585 3.542 0 40 GHAB COc1ccc(C(=O)NC[C@](O)(c2ccsc2)c2cccs2)cc1F 245171831 XWZYKUQRHSWTNF-SFHVURJKSA-N 377.462 3.623 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)cn1 257268277 MKYVZEIBMILKTK-GOSISDBHSA-N 377.444 3.689 0 40 GHAB CCc1nccn1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257307029 SWYBPHYOBIDPCR-LJQANCHMSA-N 396.466 3.917 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)n1 257338686 YYMYSGGJTPKYDA-SFHVURJKSA-N 396.466 3.624 0 40 GHAB COc1ccc(CN2CCC3(CC2)C[C@H](CN2CCC(F)(F)CC2)O3)c(F)c1 306127796 GHYPKKJRJKCAQW-GOSISDBHSA-N 398.469 3.689 0 40 GHAB Cc1ccsc1CN1C[C@H]2c3cc(-c4cccnc4)ccc3S(=O)(=O)[C@H]2C1 306139443 SXHZDFVNZIITFT-RXVVDRJESA-N 396.537 3.874 0 40 GHAB O=S1(=O)c2ccccc2[C@@H](NCc2ccco2)CCN1Cc1ccccc1 306140532 UWPGPEZRQZESCZ-FQEVSTJZSA-N 382.485 3.705 0 40 GHAB OCCCNC(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408980116 VCDQESLPDMQNPF-UHFFFAOYSA-N 394.456 3.819 0 40 GHAB CC(C)(C)c1ncc2c(n1)C[C@H]1CC[C@H]2N1CCOc1ccccc1C(=O)O 530165766 UYOCTBGELKSBAG-RDTXWAMCSA-N 381.476 3.613 0 40 GHAB C[C@@H]1c2ccsc2CCN1CC(=O)N1c2ccccc2NC(=O)C12CCCC2 557309242 XDPFCOQDMYQOBZ-OAHLLOKOSA-N 395.528 3.965 0 40 GHAB O=C(Cc1cc2ccccc2c(O)n1)N[C@H]1c2ccccc2CC12CCOCC2 562735485 WTYKVWVPQQNDEV-QFIPXVFZSA-N 388.467 3.693 0 40 GHAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1cc(Cl)sc1Cl 575608934 WUWRYYFNYIATHR-LURJTMIESA-N 399.225 3.701 0 40 GHAB CCNC(=O)C[C@@H]1CCCCN1C(=O)c1[nH]c(-c2cccc(Cl)c2)nc1C 585082191 YZLOMDROVFHXEN-INIZCTEOSA-N 388.899 3.559 0 40 GHAB Clc1ccc2ncc(-c3cccc(C[C@H]4CC5(CCNCC5)CO4)n3)n2c1 585263133 OFTHLBKHXQQVMQ-KRWDZBQOSA-N 382.895 3.751 0 40 GHAB C[C@H](S[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H](C(N)=O)C1 594909216 CBWQXKCBRIKXRG-OBJOEFQTSA-N 388.455 3.612 0 40 GHAB C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2-c2c(F)cccc2F)CS1(=O)=O 666813132 TXLQJBWYOOHTLQ-OLZOCXBDSA-N 394.443 3.719 0 40 GHAB COc1cc(C)ccc1CN1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615122666 QHNAQKGWTVSHKJ-XMMPIXPASA-N 394.515 3.792 0 40 GHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNC(=O)c1c(F)cccc1F 1775963730 ATLBDGYTFKCYLC-UJAMICLKSA-N 398.453 3.768 0 40 GHAB biogenic,in-vitro Cc1cccc(CS(=O)(=O)N2CC(n3c(C4CC4)nc4ccccc43)C2)c1 1775971563 UWHATMSNEPEHCH-UHFFFAOYSA-N 381.501 3.609 0 40 GHAB Cc1nc(C)c(CN(C)C2CN(c3ccc(-c4ccc(F)cc4)nn3)C2)s1 1888897661 SUIFOECUXSRAOC-UHFFFAOYSA-N 383.496 3.677 0 40 GHAB Cc1cc(C)c(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)c(C)c1 2037977813 LHANNVYWWCNKIY-XMMPIXPASA-N 392.499 3.650 0 40 GHAB O=c1c2ccc(Cl)cc2nc(SCc2ccccn2)n1C[C@@H]1CCCO1 12400914 DWMLAMDBVOTVDX-HNNXBMFYSA-N 387.892 3.916 0 40 GHAB Cc1ccc(C(=O)Cc2nnc(S)nc2CC(=O)c2ccc(C)cc2)cc1 623173 LNIHVHCMXQYGEA-UHFFFAOYSA-N 377.469 3.628 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCC(C)C)cc2c1 933914 ZCEDLKVFZBFULJ-UHFFFAOYSA-N 383.517 3.962 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)[C@@H]3CCCO3)cc2c1 1359250 GEVDHLQUFXTLAD-NRFANRHFSA-N 394.446 3.683 0 40 GHAB CC(=O)c1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)c3ccc(Cl)cc32)c1 79107237 GAIAZEHHFPKJSG-MRXNPFEDSA-N 392.864 3.583 0 40 GHAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1 1934562 QUDBJEYIODYNAU-UHFFFAOYSA-N 383.322 3.518 0 40 GHAB C[C@H](c1nc2ccccc2s1)N(C)CN1C(=O)NC2(CCCCCC2)C1=O 23763825 ZMKDDRDJACQCOW-CQSZACIVSA-N 386.521 3.891 0 40 GHAB CC(C)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)N1CCc2ccccc2C1 25536333 QGHHFFGTALUZKB-HXUWFJFHSA-N 390.483 3.606 0 40 GHAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)n1 6968561 WEYJMOOLNBLISL-OQLLNIDSSA-N 387.848 3.718 0 40 GHAB CCOC(=O)c1cnc(S[C@@H](C)c2nc3ccccc3n2C(F)F)nc1N 12525700 AYJIYWJJQOCNMQ-VIFPVBQESA-N 393.419 3.834 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(C)c(C)c1 8414360 LHDOUCXIIKCSDP-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB O=c1oc(-c2cccs2)nn1C[C@H](O)COc1ccc(-c2ccccc2)cc1 25058757 JOROANHKYFBTRU-KRWDZBQOSA-N 394.452 3.672 0 40 GHAB CC(=O)NCc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1 9114471 JHJHFLLNHZQJSL-GFCCVEGCSA-N 375.266 3.576 0 40 GHAB O=C(COc1ccc(Oc2ccccc2)cc1)NCCC(=O)NC1CCCCC1 57991711 BZVJPPVKXQUTEG-UHFFFAOYSA-N 396.487 3.813 0 40 GHAB COc1ccc(C(=O)COC(=O)c2sc(C)nc2C)cc1Br 10142647 GXJNELXETQEGCR-UHFFFAOYSA-N 384.251 3.571 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C(C)C)c2)cc1 12784721 XVSUBRYWIAWPDQ-HXUWFJFHSA-N 386.517 3.910 0 40 GHAB O=C(CCC(=O)N1CCN(c2nccs2)CC1)c1ccc2ccccc2c1 10270548 JVCUEYGGNYJGDA-UHFFFAOYSA-N 379.485 3.608 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 58224825 KOXCQRIUKUOQJU-MOPGFXCFSA-N 379.847 3.687 0 40 GHAB NC(=O)Cc1csc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)n1 58310423 KUDASHOXTKGPTM-UHFFFAOYSA-N 397.422 3.640 0 40 GHAB O=C(COC(=O)c1cccc(Br)c1)Nc1nc2ccccc2s1 3331821 MMSHAUXBYDRNJR-UHFFFAOYSA-N 391.246 3.854 0 40 GHAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1ccccc1Cn1cncn1 48353827 ZLYZMNIAHYUXAW-KRWDZBQOSA-N 392.503 3.708 0 40 GHAB Cc1noc(C2CCN(C(=O)c3ccc(COc4ccc(F)cc4)o3)CC2)n1 48375068 YAFYRDYKYFAWBL-UHFFFAOYSA-N 385.395 3.709 0 40 GHAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@H](C)c3cnn(C)c3C)c12 36614230 SHCCKCMZSVFVNK-LLVKDONJSA-N 393.422 3.870 0 40 GHAB CSCc1nc2sc(C(=O)N[C@@H](C)c3ccccc3F)c(C)c2c(=O)[nH]1 28958601 AKDLFGCPEKQARW-JTQLQIEISA-N 391.493 3.786 0 40 GHAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2)C(=O)NC1CCCC1 3451135 WEKHTMWFUVEHKH-CABCVRRESA-N 380.488 3.964 0 40 GHAB CN1CCC(N[C@H]2C[C@@H](Cc3cc(CN(C)c4ccccc4)on3)C2(C)C)CC1 67890144 DXAYVZHBFRXOMX-JPYJTQIMSA-N 396.579 3.952 0 40 GHAB biogenic,in-vitro Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 2704367 ZNNYWUSFYPRTEE-MRXNPFEDSA-N 375.409 3.703 0 40 GHAB O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)Nc1ccc2c(c1)OCO2 12999965 NWXZUSISCNVQES-UHFFFAOYSA-N 396.443 3.820 0 40 GHAB COc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1Cc1ccccc1 12905591 PYUZVXMLCHEBQU-UHFFFAOYSA-N 395.480 3.942 0 40 GHAB Cc1cc(F)ccc1NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 12906845 SJYCOOAAVQAMEO-UHFFFAOYSA-N 382.482 3.623 0 40 GHAB Cc1noc2nc(-c3cccs3)cc(C(=O)NCc3ccc4c(c3)OCO4)c12 13001783 PXYWABKMUOVQCB-UHFFFAOYSA-N 393.424 3.918 0 40 GHAB COc1ccc2cc(C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]3C)[nH]c2c1 4084457 VAQZPBNHJFVEJF-ZDUSSCGKSA-N 380.444 3.953 0 40 GHAB biogenic CCOP(=O)(N[C@H](c1ccccc1)c1nc2ccccc2[nH]c1=O)OCC 9088355 ZTWHWYVZPLZYIC-QGZVFWFLSA-N 387.376 3.783 0 40 GHAB O=C1C[C@@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)Nc3cccc(Cl)c3)cc21 64959255 FHABOFQDJCDFJP-NSHDSACASA-N 382.803 3.786 0 40 GHAB COc1ccc2c(C)c(CC(=O)NCCc3ccc(Cl)cc3)c(=O)oc2c1 4540681 OVEYLRXZIMVWRP-UHFFFAOYSA-N 385.847 3.665 0 40 GHAB Cn1c(Cc2ccccc2)nnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 4519822 LLWRVIRJVSYRJV-UHFFFAOYSA-N 396.560 3.583 0 40 GHAB CCN(C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)[C@@H]1CCS(=O)(=O)C1 14229533 UPOPZNYEBGIRAV-XAVKZTDYSA-N 393.505 3.603 0 40 GHAB CC(C)OCCC(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 60065095 BDKUQNJJWGXHRT-QGZVFWFLSA-N 382.460 3.516 0 40 GHAB COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1cc(C)ccc1C)CC2 5423583 QUMGNSPSZVYJGS-OAHLLOKOSA-N 375.490 3.629 0 40 GHAB COc1cccc(/C=C/C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1OC 6886354 JRUCXBOBHOHYSS-CSKARUKUSA-N 380.396 3.875 0 40 GHAB CCCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(F)cc1)S2 6812142 OCQGAQPDAUMAMR-MSOLQXFVSA-N 397.479 3.768 0 40 GHAB C[C@@H]1Sc2ccc(C(=O)NCc3ccc(CN4CCCC4)cc3)cc2NC1=O 15140074 PJWGQFYWGCLVCN-HNNXBMFYSA-N 395.528 3.645 0 40 GHAB COc1ccc(-n2c(C)nc3c(cnn3-c3ccc(C)cc3)c2=O)cc1Cl 4971978 CEXOPWRWCGDEGI-UHFFFAOYSA-N 380.835 3.850 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976064 OBXBVGCVXLTTJW-AWEZNQCLSA-N 390.842 3.517 0 40 GHAB C[C@@H](Nc1ccc(I)cc1)C(=O)N(C)Cc1ccccc1 7224994 PKWZTAHWQAMJHI-CYBMUJFWSA-N 394.256 3.750 0 40 GHAB CCOc1ccc(NC(=O)[C@@H]2CSCN2C(=O)OCc2ccccc2)cc1 408736675 FEADHSGSRXIDOG-SFHVURJKSA-N 386.473 3.736 0 40 GHAB Cc1ccc(Cn2cc(NC(=O)[C@@H](C)n3nc(C(F)(F)F)cc3C)cn2)cc1 28238240 DWNBSHIWJWYYSE-CQSZACIVSA-N 391.397 3.963 0 40 GHAB CCN(C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 7630949 IVBSQFWINPQMBH-CMPLNLGQSA-N 396.361 3.510 0 40 GHAB O=C(Nc1ccccc1C(=O)Nc1ccc(Br)cn1)c1ccco1 9434348 ZDCOCEKUWWVOTB-UHFFFAOYSA-N 386.205 3.942 0 40 GHAB O=C(NCCc1ccccc1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 7737853 JKSFZEUUAHVWDM-UHFFFAOYSA-N 387.435 3.661 0 40 GHAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(CCO)C3=O 16751331 KPAAQISBHYGSNB-KRWDZBQOSA-N 383.831 3.601 0 40 GHAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 71826923 WTADEUYWDRDCKA-REHUZNOOSA-N 392.543 3.996 0 40 GHAB Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cc(C(=O)O)cs1 84086501 NJFOHKLWKFGINY-UHFFFAOYSA-N 390.280 3.626 0 40 GHAB CCCC[C@H](C(=O)Nc1cc(C)on1)N(C)Cc1nc2ccccc2n1CC 72308269 DXQJDYYZIKKMET-GOSISDBHSA-N 383.496 3.982 0 40 GHAB CC1(C)CCc2ccccc2[C@H]1NC(=O)CCc1nc2ccccc2c(=O)[nH]1 84673602 QOACQWQAKAHDMD-OAQYLSRUSA-N 375.472 3.686 0 40 GHAB Cc1nc([C@@H]2CCCN(C(=O)Nc3cccc(COCc4ccco4)c3)C2)n[nH]1 95966408 BUWMFXVFGWPBRP-QGZVFWFLSA-N 395.463 3.834 0 40 GHAB CCC(CC)c1cc(CNC(=O)[C@H]2CCn3c(cnc3C(F)(F)F)C2)on1 95993230 DVQNXWNIIXJYNO-LBPRGKRZSA-N 384.402 3.672 0 40 GHAB CC(C)[S@@](=O)c1ccc(C(=O)Nc2ncccc2OCc2ccncc2)cc1 95962371 SKDFPEUKULOBNC-NDEPHWFRSA-N 395.484 3.824 0 40 GHAB CCc1nnc([C@@H](C)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1 95956606 CIQHUBGCCZXGRB-SNVBAGLBSA-N 389.809 3.582 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccc3ccccc23)c1 63764466 NWHLZOSIUSBYLV-UHFFFAOYSA-N 389.860 3.758 0 40 GHAB O=C(O)Cc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408567648 GAEMXUBYRJUILE-UHFFFAOYSA-N 389.498 3.810 0 40 GHAB CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(OC)cc1 30854749 OUQCKKINZUHNPJ-QGZVFWFLSA-N 396.896 3.601 0 40 GHAB COC(=O)c1cccc(NC(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1 35290836 JMPBLADSRAXLPG-AYHJJNSGSA-N 399.516 3.852 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1cccc(OC(C)C)c1)CC(O)=N2 31819251 MTVISCRGMJIMHD-HNNXBMFYSA-N 379.420 3.587 0 40 GHAB Cc1nc(=O)c2ccccc2n1C1=CCN(C(=O)C2(c3ccccc3)CC2)CC1 72348207 NDHUBVDXCJQRMC-UHFFFAOYSA-N 385.467 3.510 0 40 GHAB Cc1nc(C)c(CCNC(=O)CCc2ccc(Br)cc2F)s1 78713583 MAADYSVVDUFLMC-UHFFFAOYSA-N 385.302 3.953 0 40 GHAB CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)c2ccc3sccc3c2)s1 560804052 PKVQQGWZHLZULP-GHMZBOCLSA-N 388.518 3.708 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCC1=CCCCC1 217428021 AYEPPJSIUXOUES-AWEZNQCLSA-N 380.510 3.764 0 40 GHAB CCCCCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 224425529 BQNOCCQXOISMNR-UHFFFAOYSA-N 388.533 3.736 0 40 GHAB Cc1noc(C)c1S(=O)(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 224209189 AAVCIFRLTKDGRD-MRXNPFEDSA-N 376.478 3.796 0 40 GHAB Cc1cccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1C 222762009 IHMKVRNISVDELA-UHFFFAOYSA-N 396.512 3.539 0 40 GHAB O=C(COc1ccc(CCNC(=O)c2cc3ccccc3s2)cc1)NC1CC1 48365044 LEKJYZYGJTZVDJ-UHFFFAOYSA-N 394.496 3.531 0 40 GHAB CC[C@H](NC(=O)N1Cc2ccc(OC)cc2C2(CC2)C1)c1c(C)nn(C)c1C 570374027 KIJXKSQFYDISRJ-IBGZPJMESA-N 382.508 3.754 0 40 GHAB C[C@@H](NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1)c1ccccc1 46057984 YYSVDXOJKZZJDS-CYBMUJFWSA-N 388.514 3.788 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccccc1 225040550 TYPOYFDHWWKWKZ-LJQANCHMSA-N 398.572 3.906 0 40 GHAB CC(=O)c1csc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)n1 44361000 JHLSGWWOMLOGLM-JTQLQIEISA-N 383.267 3.823 0 40 GHAB CCOc1ccc(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cc1OCC 77101101 BEZJXNBXHJTBBJ-UHFFFAOYSA-N 397.397 3.574 0 40 GHAB NC(=O)c1cccc2nc([C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)[nH]c12 49171138 OZDDXFXFWCLARV-ZDUSSCGKSA-N 388.393 3.670 0 40 GHAB biogenic,in-vitro COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 223659277 VFKYLBGABIJMMC-UHFFFAOYSA-N 377.462 3.608 0 40 GHAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(OC)c(C)c1 225753627 AUWDHDXEHOAEDQ-GOSISDBHSA-N 390.505 3.646 0 40 GHAB COc1ccc(Br)c(C(=O)N[C@@H](C)Cc2ccc3c(c2)CCO3)c1 225599478 YFEIGZRISFQYGC-LBPRGKRZSA-N 390.277 3.754 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 222440601 FRUYNBGSMRWNFG-SFHVURJKSA-N 396.531 3.835 0 40 GHAB COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2)c1 239386725 QDWFYOUSITXXTD-WTGRHJARSA-N 386.492 3.624 0 40 GHAB Cn1nc(CC(=O)Nc2ccccc2-c2ncc3n2CCCC3)c2ccccc21 580641723 IWQRJIVEHHMXCG-UHFFFAOYSA-N 385.471 3.954 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCc2ccncc2)[C@@H]1c1cccc(Cl)c1 257267856 MJBAIUAYIMQQEY-CTNGQTDRSA-N 399.922 3.736 0 40 GHAB CN(c1ccc(Cl)c(C(=O)N[C@H]2CCCc3ccccc32)c1)S(C)(=O)=O 260504181 DRJOZXDONUPKTE-SFHVURJKSA-N 392.908 3.543 0 40 GHAB Cc1cccnc1N=c1[nH]ccnc1C1CCN(C(=O)/C=C/c2ccccc2)CC1 585292078 JQIYEIPNOAOPAA-MDZDMXLPSA-N 399.498 3.765 0 40 GHAB CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCc1ccccc1 56515958 BCMRYWQQPJDFIH-UHFFFAOYSA-N 390.325 3.723 0 40 GHAB COc1cc(C(=O)O)c(F)cc1NS(=O)(=O)c1csc2ccccc12 504536509 OTTXTJYVSALBKF-UHFFFAOYSA-N 381.406 3.548 0 40 GHAB Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 779326 MHYMTWRDTDHOKF-UHFFFAOYSA-N 382.367 3.825 0 40 GHAB CCOc1ccc(OCCNC(=O)c2cnc(SC)n2-c2ccccc2)cc1 12507051 IQFQCYSKJBAZIA-UHFFFAOYSA-N 397.500 3.802 0 40 GHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCOc1ccc(C)cc1 12917114 OQVCDYVOTKLNOW-UHFFFAOYSA-N 388.895 3.582 0 40 GHAB Cc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)cc1 13368457 RKVVSIRHTVILHX-UHFFFAOYSA-N 389.411 3.736 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)c1ccc(I)cc1 17297585 DDZYQYGLQIBSJF-UHFFFAOYSA-N 385.632 3.917 0 40 GHAB Cc1ccn(C[C@@H](C)C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)n1 19238004 RGCTZDGGAQRDOD-MSYGRNIXSA-N 394.563 3.697 0 40 GHAB Cc1nn(C(C)C)c(C)c1CN1[C@H]2CC[C@@H]1c1cnc(N3CCCC3)nc1C2 19577440 QEMNTEWXELSSSS-LAUBAEHRSA-N 380.540 3.733 0 40 GHAB COc1cccc(-c2cccc(NC(=O)CCc3c(C)nc(N)nc3C)c2)c1 19665430 YBIKDXQPTLGGAC-UHFFFAOYSA-N 376.460 3.923 0 40 GHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc(F)c(F)c1 19937746 PZLILEPKGNSHCC-UHFFFAOYSA-N 375.762 3.550 0 40 GHAB Cc1cc(C(F)(F)F)n2nc(C3CCN(Cc4ccccn4)CC3)cc2n1 12223023 DWNFKVXQLWIESX-UHFFFAOYSA-N 375.398 3.831 0 40 GHAB COc1ccc([C@@H](Cc2ccccc2)NC(=O)N2CCC(O)(C3CC3)CC2)cc1 685939000 GKICJZBBRZVJIU-JOCHJYFZSA-N 394.515 3.926 0 40 GHAB COc1ccc(CN(C)C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1 11698316 AMTAUQUBFUXKJR-KRWDZBQOSA-N 390.892 3.810 0 40 GHAB COc1ccc2nccc(N3CCC(N(C)c4ncc(Cl)cn4)CC3)c2c1 1889191934 RMBLJHYBEWZMDE-UHFFFAOYSA-N 383.883 3.792 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1=Cc2cc(Cl)ccc2OC1 16181983 SVDCXCKCDOYPCI-UHFFFAOYSA-N 379.847 3.960 0 40 GHAB O=C(Nc1ccc(I)cc1F)c1cccnc1Cl 408621948 NITGDIYUHYHVNR-UHFFFAOYSA-N 376.556 3.731 0 40 GHAB CCOC(=O)c1csc(NC(=O)COc2ccc(Cl)cc2Cl)n1 3231593 GLAYGJFYVNSHQT-UHFFFAOYSA-N 375.233 3.644 0 40 GHAB O=C(NCCn1nc(-c2cccs2)ccc1=O)c1cccc2ccccc12 8954794 UOLJUSKFCKPILS-UHFFFAOYSA-N 375.453 3.555 0 40 GHAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)nn1C 9002425 PCZHGSWREKCYGR-UHFFFAOYSA-N 381.436 3.719 0 40 GHAB COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccno3)nc12 9704429 KEHPQIKZEVCDSV-UHFFFAOYSA-N 380.429 3.843 0 40 GHAB Cc1ccc2cc(CCNC(=O)c3cccc(Br)c3)c(=O)[nH]c2c1C 4032949 AFUDHMLEQZOFNZ-UHFFFAOYSA-N 399.288 3.880 0 40 GHAB COc1ccc(Br)c(C(=O)NC[C@@H](O)c2ccc(SC)cc2)c1 96103143 BTBHLMRTGDPWQG-MRXNPFEDSA-N 396.306 3.643 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(Cn2cccn2)c1 40074409 OAKMLGPZLBUFHY-QFIPXVFZSA-N 386.455 3.834 0 40 GHAB CC(=O)Nc1ccc(C(=O)COC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 51796189 ZKIGIUVRDBOOBG-JSGCOSHPSA-N 389.345 3.879 0 40 GHAB Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 32818754 AVSFPBSMYZWUKW-UHFFFAOYSA-N 380.404 3.526 0 40 GHAB COc1cccc2sc(NC(=O)c3ccc4c(O)[nH]c(=S)nc4c3)nc12 32912189 HLERDVYBFRGEDC-UHFFFAOYSA-N 384.442 3.869 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2sc(SC)nc2C)cc1 32902059 NVUBYVAEZBFZER-UHFFFAOYSA-N 377.535 3.837 0 40 GHAB C[C@H](C1CC1)N(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)C1CC1 47448288 AGVTYGNWQAMLBE-MRXNPFEDSA-N 398.528 3.915 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)Nc2ccc3nc(C)sc3c2)cc1 12515531 KIPUSQKZRBZLPJ-CQSZACIVSA-N 396.516 3.811 0 40 GHAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)NC(C)(C)C 1353696 AKBZYCFHKJFGED-UHFFFAOYSA-N 385.439 3.663 0 40 GHAB COc1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3ccccc3n2)c(OC)c1 2757004 APCAKLARINKQSH-MRXNPFEDSA-N 392.455 3.828 0 40 GHAB O=C(Nc1cccc(-n2cnnn2)c1)c1cc2c(s1)-c1ccccc1OC2 24016418 ORHKZTBWWJPUPW-UHFFFAOYSA-N 375.413 3.536 0 40 GHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccccc2N2CCCC2)CC1=O 12522486 FWKAVMMASGUWMX-QGZVFWFLSA-N 393.487 3.677 0 40 GHAB COC(=O)c1ccc(COC(=O)c2ccc(OCc3c(C)noc3C)cc2)o1 3518308 QIEQRUXCMYXIDQ-UHFFFAOYSA-N 385.372 3.607 0 40 GHAB CN1C(=O)c2ccc(C(=O)N(Cc3cccs3)Cc3cccs3)cc2C1=O 24468621 QMVBNJFGZHTQCN-UHFFFAOYSA-N 396.493 3.878 0 40 GHAB COCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1C(C)C 4861107 KWFMPHHRYGWKOY-UHFFFAOYSA-N 382.917 3.741 0 40 GHAB CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)N3CCCCC3)n12 4898216 AGWJNNRYCBAWRM-UHFFFAOYSA-N 383.521 3.680 0 40 GHAB O=C(O)CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1 6188199 XNTDWZDLSIVURQ-UHFFFAOYSA-N 384.457 3.774 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)cc1Cl 7388113 ZQFXUGWLBMYDPF-UHFFFAOYSA-N 382.898 3.579 0 40 GHAB COC(=O)c1n[nH]c2ccc(NC(=O)Cc3coc4cc(C)c(C)cc34)cc12 25017003 KFOTVSUKUNUIEM-UHFFFAOYSA-N 377.400 3.894 0 40 GHAB O=C(Nc1ccccc1Oc1cccc(F)c1)c1ccnc(-n2cncn2)c1 56135068 DQCGHCHVWPOMGE-UHFFFAOYSA-N 375.363 3.846 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCc1ccccn1 12632013 MNAAPYMAQHGONW-KRWDZBQOSA-N 394.302 3.502 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccc(F)cc1 9366380 OLGDHZFEFKQPME-INIZCTEOSA-N 375.350 3.680 0 40 GHAB CN(C)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 3267249 QYXYHVCJAPYRFQ-UHFFFAOYSA-N 399.541 3.506 0 40 GHAB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](C(=O)O)C(C)C)c(C)c3cc2c1C 2097047 SNAUNXIYCDCMTF-FQEVSTJZSA-N 399.443 3.622 0 40 GHAB biogenic O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc2ccccc2[nH]1 12793854 FDRITXKVVFIBSP-UHFFFAOYSA-N 378.457 3.867 0 40 GHAB Cc1cccc(C)c1OCCNC(=O)c1ccc(CN2CCSCC2)cc1 58250121 ZPXCUJRTKOYPOU-UHFFFAOYSA-N 384.545 3.661 0 40 GHAB O=C(Nc1cccc(CNS(=O)(=O)c2c(Cl)cccc2Cl)c1)C1CC1 10668775 XHDQCULMWWJLJJ-UHFFFAOYSA-N 399.299 3.820 0 40 GHAB CCN(CC)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 22275526 ZWRIHMZCMBWUND-UHFFFAOYSA-N 388.533 3.676 0 40 GHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccnn3Cc3cccs3)oc2c1C 28404868 GQIBNWFYKJGKSX-UHFFFAOYSA-N 379.441 3.968 0 40 GHAB O=C(Cc1ccc(Cl)cc1Cl)NC1CCN(C(=O)c2ccco2)CC1 11555736 ORNPSJYHYVJKAT-UHFFFAOYSA-N 381.259 3.550 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)OCc1coc(-c2ccccc2)n1 12800486 UADGNUCVGCEGPH-UHFFFAOYSA-N 378.384 3.773 0 40 GHAB CCCSc1ncc(Cl)c(C(=O)NCC(=O)Nc2ccc(C)c(C)c2)n1 46086901 XEHXBWAYRJEYRJ-UHFFFAOYSA-N 392.912 3.617 0 40 GHAB CCc1cccc(CC)c1-n1c(S[C@@H]2CCOC2=O)nnc1-c1cccnc1 3428333 RIQFTJPRMCWAPY-QGZVFWFLSA-N 394.500 3.862 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)N(C)C)cc1OC 3444755 QCFSTVWZECWAKY-MRXNPFEDSA-N 398.837 3.668 0 40 GHAB Cc1c(C(=O)NCc2ccccc2Cn2cccn2)oc2c1C(=O)CC(C)(C)C2 47271218 PUJPTMJFLXGGJE-UHFFFAOYSA-N 391.471 3.918 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2cc1OC 22524925 WXHJCVNCUVAOBN-UHFFFAOYSA-N 392.455 3.867 0 40 GHAB COc1ccc2nc(SCCOC(=O)c3ccccc3OC)nc(C)c2c1 3636362 GXSZGVLPSXHIRH-UHFFFAOYSA-N 384.457 3.905 0 40 GHAB COC(=O)[C@H]1CN(C(=O)Cc2c(Cl)cccc2Cl)c2ccccc2O1 13001303 FTJNNDAURXQYPY-MRXNPFEDSA-N 380.227 3.503 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)c2nn(-c3ccccc3)cc2OC)cc1 13000258 CQXRFBUIQVJGLZ-SDNWHVSQSA-N 391.427 3.710 0 40 GHAB Brc1cncc(-c2nnc3sc(COc4ccccc4)nn23)c1 13735639 FKDZUATUCJDZLN-UHFFFAOYSA-N 388.250 3.589 0 40 GHAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 20457679 DURZBHZOOLMHHJ-ZWKOTPCHSA-N 388.533 3.644 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cccc2cccnc12 14093222 KEPFAUORTJBEBN-UHFFFAOYSA-N 398.260 3.674 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1 65531754 QOFCXWSCTPUIJA-GASCZTMLSA-N 387.455 3.874 0 40 GHAB Cc1ccc(Sc2ccc(NC(=O)CN(CC(N)=O)C(C)C)cc2)c(C)c1 14198102 LFBGAIHFPKNRDT-UHFFFAOYSA-N 385.533 3.589 0 40 GHAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1cccnc1 9302689 SKVZNYLASNQZBU-UHFFFAOYSA-N 388.379 3.578 0 40 GHAB biogenic C[C@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1ccc(Cl)cn1 5499543 JIIDIAXMXHNSQM-LBPRGKRZSA-N 387.896 3.574 0 40 GHAB Cc1cc(C)n(-c2nc(NC[C@H]3CCCO3)c3c4c(sc3n2)CCCC4)n1 5561432 RSNZKQBIZRKTAL-CQSZACIVSA-N 383.521 3.964 0 40 GHAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(F)cc1Br 14671478 YTTBOGYOFRPJOG-UHFFFAOYSA-N 377.213 3.967 0 40 GHAB CC(C)Cn1c(=O)c(CCC(=O)N2CCC(C)CC2)nc2cc(Cl)ccc21 6758887 QXGQDRMICJQMQC-UHFFFAOYSA-N 389.927 3.897 0 40 GHAB COc1ccc(N[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1Cl 6939302 JTICENFQHJRZKI-CQSZACIVSA-N 383.206 3.885 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 67590532 NADNANYQNPKCKQ-IIBYNOLFSA-N 378.476 3.516 0 40 GHAB COc1cc(NC(=O)CCC(=O)c2cc(C)sc2C)cc(OC)c1OC 15576313 ZUNRTBXNWXJFPJ-UHFFFAOYSA-N 377.462 3.992 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cnc(C)cn1)CC2 7979400 ZPGXQAUHSNCCNL-HXUWFJFHSA-N 395.484 3.652 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(O)cc1)N(C[C@@H]1CCCO1)C3=O 16741805 CHBFSNIWHLXWAH-OXJNMPFZSA-N 391.423 3.531 0 40 GHAB Cc1c(Cl)c(COC(=O)c2cccc(-n3cnnn3)c2)nc2ccccc12 8278488 PPZHHSKGEFBZMK-UHFFFAOYSA-N 379.807 3.529 0 40 GHAB CN1CCN(Cc2cccnc2)C[C@@H]1c1ncn2cc(-c3ccccc3)ccc12 306144689 ZMCYIXJGSDROTE-HSZRJFAPSA-N 383.499 3.885 0 40 GHAB Cc1ccc(NC(=O)c2occc2C)cc1S(=O)(=O)N1CCCCCC1 16960435 JBBIRBULQHBERJ-UHFFFAOYSA-N 376.478 3.713 0 40 GHAB Fc1ccc(Nc2nc(Nc3ccc4c(c3)OCO4)nc(N3CCCC3)n2)cc1 27546312 FUKLYVSRXKEBOH-UHFFFAOYSA-N 394.410 3.827 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 8519671 YXLRYVKZBLQXEV-UHFFFAOYSA-N 383.517 3.927 0 40 GHAB CSc1ccc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1 96892208 VPAVCVVZSLNHKH-QGOAFFKASA-N 378.453 3.880 0 40 GHAB Cc1cc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c(C)c1 408598158 XMYNZYLUXZNINL-UHFFFAOYSA-N 386.517 3.957 0 40 GHAB CCOc1cccc(CNC(=O)CSCC(=O)c2ccc(Cl)cc2)c1 89269963 WKFITXNHJRVWDR-UHFFFAOYSA-N 377.893 3.971 0 40 GHAB CCN(CC)[C@@H](CNC(=O)COc1ccc(OC)cc1)c1ccccc1Cl 18227289 WGWTUKKQXJDMPC-FQEVSTJZSA-N 390.911 3.927 0 40 GHAB COCCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1c1ccc(F)cc1 8738096 KIVXACXWXIAFJE-LJQANCHMSA-N 381.407 3.632 0 40 GHAB O[C@H](COc1ccc(Cl)cc1)CN1CCN(c2ccc(Cl)cc2)CC1 26780890 GZJBLBDEMLXBDI-SFHVURJKSA-N 381.303 3.555 0 40 GHAB Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCc3cccc(Cl)c3)cc1)CC(=O)N2 8994368 VNIJBXRPKDLQLB-KRWDZBQOSA-N 395.846 3.785 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3noc(-c4ccc(F)cc4)n3)c12 97134636 VJYZELVWVYYGJV-UHFFFAOYSA-N 394.362 3.955 0 40 GHAB COc1cc(-c2noc(-c3nccn4ccnc34)n2)cc(Cl)c1OC(C)C 544896787 GNQRBRUQVMYAJQ-UHFFFAOYSA-N 385.811 3.896 0 40 GHAB CCOC(=O)Nc1cccc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)c1 25135658 KRQKOFCYSNSDGH-UHFFFAOYSA-N 396.443 3.848 0 40 GHAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 20492638 ZZKUYNIYZDQNNF-IBGZPJMESA-N 386.517 3.661 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)N(C)C4CCCCC4)cc3)C(=O)[C@@H]2C1 408684794 PLOIKRPPHXRLNL-WOJBJXKFSA-N 380.488 3.937 0 40 GHAB CC(C)C(NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)C(C)C 408925298 OTRDQHPHQZJPOP-UHFFFAOYSA-N 395.352 3.556 0 40 GHAB Cc1noc(-c2cccc(NC(=O)COc3ccc(Br)cc3)c2)n1 33012785 DHQMQLCZBLMOID-UHFFFAOYSA-N 388.221 3.825 0 40 GHAB NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccccc2)sc2c1CCCCC2 32125255 MGYYWRINWQBHHS-VAWYXSNFSA-N 399.541 3.642 0 40 GHAB O=C(CCCCCn1cnc2ccccc2c1=O)NCc1cccc(Cl)c1 36359161 SRDXGVARKAJSOL-UHFFFAOYSA-N 383.879 3.927 0 40 GHAB Cc1cccc(OCCCNS(=O)(=O)c2ccc(Br)cc2)c1 32837463 SYTCGFMSADGJGF-UHFFFAOYSA-N 384.295 3.505 0 40 GHAB Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 72362601 FOSPAKHLHQZBOC-KRWDZBQOSA-N 391.475 3.639 0 40 GHAB CSCC[C@@H](C(=O)NCc1nc(-c2ccccc2Cl)no1)n1cccc1 575443158 JTZNOKAUNLOWMY-HNNXBMFYSA-N 390.896 3.802 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 225363071 VGAABTDHYLWIJV-OAQYLSRUSA-N 382.504 3.571 0 40 GHAB CCOC(=O)[C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCCCC2)C1 45888153 ZLJYPBUTEODSKX-ZDUSSCGKSA-N 384.398 3.612 0 40 GHAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2cc(Cl)ccc21 46882607 PTFVQJCZGOGBNB-UHFFFAOYSA-N 375.837 3.686 0 40 GHAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 223591677 ZEWYFOHHRYXAIN-RBUKOAKNSA-N 399.903 3.960 0 40 GHAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCc2ccc3c(c2)OCCO3)cn1 224050873 OTQOKAIADUCPRP-OAHLLOKOSA-N 398.532 3.718 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 224178990 GBYKNYVJNKYTSN-OAQYLSRUSA-N 396.531 3.934 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 222448883 IBJNLPSYDBOTEA-QFIPXVFZSA-N 396.531 3.878 0 40 GHAB CC(C)Oc1cccc(CCCNC(=O)CCc2ccc3c(c2)OCCO3)c1 222643459 GNNHAIKIBFBBOG-UHFFFAOYSA-N 383.488 3.927 0 40 GHAB CCNC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccccc3)ccc2s1 223392734 XZKDJQHYOBCEFB-UHFFFAOYSA-N 388.514 3.866 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 222962752 JLEMRQFYMICQCK-FQEVSTJZSA-N 384.545 3.782 0 40 GHAB CCOc1ccc(CCCNC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1 225623395 HULKDEIINGAVFH-UHFFFAOYSA-N 385.533 3.706 0 40 GHAB CC(C)Oc1ccc(NC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c(C(F)(F)F)c1 580159523 DWHXLTWEJZYEFJ-WRFANHODSA-N 382.382 3.910 0 40 GHAB CCCNC(=O)c1ccc(NC(=O)N[C@H](C)[C@@H](OC)c2ccc(OC)cc2)cc1 536815366 KSJNICJTLHZWRQ-FOIQADDNSA-N 399.491 3.733 0 40 GHAB Cc1cc(C)nc(Nc2ccc(C(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)cc2)n1 526052349 AQKPYBIWXSAEIA-FPOVZHCZSA-N 393.535 3.831 0 40 GHAB biogenic O=C(c1cnccn1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257291184 QGABPJZQLSVFMT-HNNXBMFYSA-N 382.851 3.729 0 40 GHAB Cc1ccc2c(c1)nc(CNC(=O)NCc1cccc(OC3CC3)c1F)n2C 664836720 VMFIHWLZTSNVPL-UHFFFAOYSA-N 382.439 3.561 0 40 GHAB Fc1ccc(OC[C@@H]2CCCO2)c(-c2ccc(=NCCCn3ccnc3)[nH]c2)c1 629699047 JPXZHGPWZIRXLZ-IBGZPJMESA-N 396.466 3.566 0 40 GHAB O=c1c(CN2CCc3sc(Br)cc3C2)cccn1C(F)F 638151641 GAJKOOGWKJUXBC-UHFFFAOYSA-N 375.238 3.626 0 40 GHAB O=C(Nc1ccc(Oc2cnccn2)cc1)[C@@H]1CC(c2cccc(F)c2)=NO1 44553074 PAROUWFMDYYNIJ-SFHVURJKSA-N 378.363 3.540 0 40 GHAB Cc1ccc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cc1C 1615158247 QWGGZSCKUGAKDZ-QHCPKHFHSA-N 382.479 3.841 0 40 GHAB CCOC(=O)[C@@H](CC(=O)Nc1nc(C(C)=O)c(C)s1)[C@@H](C)c1ccccc1 5015707 NAPVPXHJOKEVDL-LRDDRELGSA-N 388.489 3.966 0 40 GHAB C[C@@H](C(=O)OC1c2ccccc2-c2ccccc21)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 5233155 HIAGTSFPMOTBDR-GKCIPKSASA-N 389.451 3.863 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 12088617 XDNFPVUMGWIECG-IBGZPJMESA-N 390.462 3.935 0 40 GHAB CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)[nH]n2)c1C 12147235 CRGQTYYGBLMGHS-CYBMUJFWSA-N 377.492 3.890 0 40 GHAB CCN(Cc1cc2cccc(C)c2nc1O)C(=O)c1cc(OC)cc(OC)c1 13479861 KYSUOXUYCIDVKA-UHFFFAOYSA-N 380.444 3.928 0 40 GHAB Cc1cc(O[C@@H]2CCN(C(=O)CCc3ccc(Cl)c(Cl)c3)C2)cc(=O)o1 206964835 XSLXUKZSWQPHEY-CQSZACIVSA-N 396.270 3.868 0 40 GHAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(C#N)cc3)C2=O)c1 6473018 XVOYOQOUYSGSPW-VCHYOVAHSA-N 391.452 3.850 0 40 GHAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@H](C2)N3Cc2ccc(C(C)C)cc2)n1 12366379 JPGHUEBMSZTFRQ-RIKCKFAHSA-N 395.547 3.623 0 40 GHAB O=C(COC(=O)CCc1nc2ccccc2s1)N[C@@H]1CCCc2ccccc21 5995198 PBNKZRBFPWTKJH-QGZVFWFLSA-N 394.496 3.966 0 40 GHAB COc1ccc(C)cc1C(=O)CCC(=O)OCC(=O)Nc1cccc(C)c1C 6588942 MQZBBELFHHYBIJ-UHFFFAOYSA-N 383.444 3.765 0 40 GHAB COc1ccc(Br)c(C(=O)NCc2cccnc2-c2cccnc2)c1 238965575 YXLLICNILYFIDF-UHFFFAOYSA-N 398.260 3.845 0 40 GHAB COc1ccc(-c2ccc(SCC(=O)NCc3ccccc3)nn2)cc1OC 4355669 ZODLMPNDECIWFN-UHFFFAOYSA-N 395.484 3.569 0 40 GHAB COc1ccc(C(=O)N(CCN(C)C)c2nc3ccccc3s2)cc1OC 4585274 UFQATRTWHQTODT-UHFFFAOYSA-N 385.489 3.522 0 40 GHAB Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)NC(C)(C)C)s2)c1 4851461 KEKPTTOWKNIRKV-UHFFFAOYSA-N 393.538 3.806 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)c1 10812191 FBGADQUOUSUZRQ-CQSZACIVSA-N 398.937 3.892 0 40 GHAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13695479 VNXCPDGDFHPFPA-UHFFFAOYSA-N 392.411 3.509 0 40 GHAB Cc1cccc(CC(=O)NC[C@@H](c2cccc3ccccc23)N2CCOCC2)c1 23106473 PVQKKCFPEGJROS-DEOSSOPVSA-N 388.511 3.880 0 40 GHAB O=C(CCc1ccccc1Br)NC[C@@](O)(c1ccccc1)C1CC1 217578956 YQPLQYKXGOLGLG-HXUWFJFHSA-N 388.305 3.796 0 40 GHAB O=C(Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1)NCC(F)(F)F 49523977 UJZFKSCDYAXWPE-UHFFFAOYSA-N 394.368 3.717 0 40 GHAB O=S(=O)(NCc1cncc(-c2ccco2)c1)c1ccc(OC(F)(F)F)cc1 575414321 BQGGURANUHVZHW-UHFFFAOYSA-N 398.362 3.719 0 40 GHAB O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1ccc(F)cc1F 575608362 SPMFAAAXGJOPCI-UHFFFAOYSA-N 393.353 3.648 0 40 GHAB Nc1cc2ccccc2nc1C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 12087759 KSVPICVNIUVJHB-UHFFFAOYSA-N 389.455 3.608 0 40 GHAB COc1ccc(Br)c(C(=O)NC[C@H](OC)c2ccccc2C)c1 96105009 SGKWMXRRWYHCFN-KRWDZBQOSA-N 378.266 3.884 0 40 GHAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc2ccc(C)cc2s1 40019995 JCPSBFNXAQCHLR-GOSISDBHSA-N 392.484 3.772 0 40 GHAB CCn1c(SCc2cnn(-c3ccccc3)n2)nnc1-c1ccc(OC)cc1 40127440 VWHSPLLBJYJVHM-UHFFFAOYSA-N 392.488 3.847 0 40 GHAB C[C@H](NC(=O)C[C@@H]1CCCO1)c1cccc(NC(=O)Cc2ccccc2F)c1 40142416 LXTBIMAKUWYSHX-KXBFYZLASA-N 384.451 3.753 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 40115343 JZPCGABKIFZDHX-UHFFFAOYSA-N 393.827 3.860 0 40 GHAB O=C(OCc1nnc(-c2cccs2)o1)c1ccc(OC[C@H]2CCCO2)cc1 32950384 PLBAJSYKAZMMMB-OAHLLOKOSA-N 386.429 3.713 0 40 GHAB COc1cc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)cc(OC)c1 21873778 OQTBCJMWRUDYOC-SFHVURJKSA-N 390.867 3.750 0 40 GHAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 103219225 ONBUIYNTGMIXGT-DHKPLTOSSA-N 396.512 3.972 0 40 GHAB COc1ccc(C)cc1NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3 793118 FLBVRMFNUMZHHQ-UHFFFAOYSA-N 393.439 3.925 0 40 GHAB CCOC(=O)CSc1nnc2c3c4c(sc3nc(C(C)C)n12)CCCC4 1376076 VGHGZXYHPDWJHO-UHFFFAOYSA-N 390.534 3.996 0 40 GHAB CCOc1cc(S(=O)(=O)NCCc2c(C)[nH]c3c(C)cccc23)ccc1F 1430063 PPSSTUOGCMZKKB-UHFFFAOYSA-N 390.480 3.844 0 40 GHAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1C 2622051 CHUPZJJXPXGYRN-HSZRJFAPSA-N 376.456 3.578 0 40 GHAB C[C@H]1CCc2c(sc3ncnc(OCC(=O)N4CCc5ccccc54)c23)C1 2663882 SHVCLNDRMHBMQV-ZDUSSCGKSA-N 379.485 3.784 0 40 GHAB CN(C(=O)Nc1ccccc1)[C@H]1c2cc(Br)ccc2OC[C@@H]1CO 3133904 XBKIGQDDHWZPJO-YVEFUNNKSA-N 391.265 3.655 0 40 GHAB Cc1ccc(Nc2nnc(SCn3nnc4ccccc4c3=O)s2)cc1C 3519943 BVJHPPISDMKVTG-UHFFFAOYSA-N 396.501 3.753 0 40 GHAB Cc1c(Cl)ccc2sc(NC(=O)c3cccc(S(C)(=O)=O)c3)nc12 4517962 FOOAZEZPDMRXRH-UHFFFAOYSA-N 380.878 3.914 0 40 GHAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1c(F)cccc1Cl 5075916 CTDBWMFMKFNUJY-UHFFFAOYSA-N 382.844 3.580 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)n2nnc3sc4c(c3c2=O)CCCC4)c(C)c1 5183390 ZURMYDPRXJHTNI-ZDUSSCGKSA-N 382.489 3.548 0 40 GHAB CCn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nc2ccccc21 5185325 QROVBEGLLLLLAN-LJQANCHMSA-N 381.501 3.748 0 40 GHAB C[C@]1(C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1(Cl)Cl 6059337 XIDJTQLJEHIVNE-GFCCVEGCSA-N 381.053 3.515 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 6324799 SXMPKNXESFKIDV-MRXNPFEDSA-N 390.505 3.550 0 40 GHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2F)c1 6387350 RRHKVRRUMYEXOQ-UHFFFAOYSA-N 391.251 3.635 0 40 GHAB COc1ccc(C2=NO[C@H](C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)C2)cc1OC 6738568 YLYXNLWJZSDRHL-OHEPNIRZSA-N 386.492 3.624 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl 6787469 QDAGGQNETAJJJP-CQSZACIVSA-N 391.874 3.993 0 40 GHAB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccncc3)SC2=S)c(Cl)c1 6965030 XAKKUBGLQKZWFS-NTEUORMPSA-N 389.889 3.590 0 40 GHAB COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 7128597 CTGSTIWGTYXFHG-UHFFFAOYSA-N 378.881 3.901 0 40 GHAB CCCn1nnnc1NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 7263378 WVJNSVHBWCQROV-UHFFFAOYSA-N 387.871 3.936 0 40 GHAB C[C@@H](C(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 7266723 WRRYRJZXLDPRJW-LBPRGKRZSA-N 386.323 3.701 0 40 GHAB Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1C 7468828 BGKIFQNJVKNNFD-CPNJWEJPSA-N 391.471 3.807 0 40 GHAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)/C=C/c1cccs1 7671281 OXRIBAJOBIGDFO-CMDGGOBGSA-N 384.379 3.757 0 40 GHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 7698896 FWTDBTCSAAGLPP-UHFFFAOYSA-N 396.468 3.773 0 40 GHAB COc1ccccc1N1C(=O)c2ccc(C(=O)N3CCCCCC3)cc2C1=O 8471702 QVUJRFUVJHCYLV-UHFFFAOYSA-N 378.428 3.512 0 40 GHAB CCn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccco1 8484727 FOKWNXLEOCQRGT-UHFFFAOYSA-N 398.275 3.991 0 40 GHAB CC(C)(C)c1ccc(C(=O)COC(=O)CCS(=O)(=O)c2ccccc2)cc1 8638545 PPDQMYLQNROGKB-UHFFFAOYSA-N 388.485 3.574 0 40 GHAB CCCOc1cc(S(=O)(=O)N2CCC[C@H](C)C2)ccc1Br 8714704 YMQSKIINJPWQPF-LBPRGKRZSA-N 376.316 3.659 0 40 GHAB CCOc1ccccc1-n1nnnc1SCc1ccc(-n2ccnc2)cc1 8725613 VYSDTIXSEGYHSD-UHFFFAOYSA-N 378.461 3.539 0 40 GHAB O=C(NCc1cccnc1)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 8844031 SWOFREQYPNZKCW-UHFFFAOYSA-N 382.423 3.841 0 40 GHAB Cc1ccc2c(CN(C)CC(=O)Nc3ccc(F)c(F)c3F)cc(=O)oc2c1 8943708 IJMQTMYXVHJOAW-UHFFFAOYSA-N 390.361 3.589 0 40 GHAB COc1cccc2sc(N(Cc3ccccn3)C(=O)c3cc(C)nn3C)nc12 9002672 GGAHWEQDKKQPOW-UHFFFAOYSA-N 393.472 3.589 0 40 GHAB CC(=O)N1C[C@H](C(=O)Nc2nc(-c3ccccc3)c(C)s2)Oc2ccccc21 9738086 NOLSGTOXONEGMU-GOSISDBHSA-N 393.468 3.871 0 40 GHAB COc1cc(C)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1OC 10444422 NJYCEQFLIZKWIB-UHFFFAOYSA-N 377.824 3.618 0 40 GHAB CCCSc1nsc(NC(=O)CSc2nc3ccc(OC)cc3[nH]2)n1 11329403 ZUPPDUPOKUHLIS-UHFFFAOYSA-N 395.535 3.656 0 40 GHAB CCN(CC)CCN(C(=O)c1cc(C)on1)c1nc2ccc(F)cc2s1 12229528 AAWZKYUEPGKDAV-UHFFFAOYSA-N 376.457 3.720 0 40 GHAB Cc1nc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)nn1-c1ccc(F)cc1 12601240 ZUOVYLLKHZWSMZ-SFHVURJKSA-N 390.422 3.568 0 40 GHAB CC(=O)c1cccc(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)c1 12608254 RCEYBFRTKLDAIF-UHFFFAOYSA-N 379.504 3.950 0 40 GHAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C(C)C 12774424 ZWKLZUMBKFSYQE-AWEZNQCLSA-N 399.520 3.874 0 40 GHAB CC(C)c1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 12786493 DILKFEPVVOFTEC-UHFFFAOYSA-N 396.487 3.772 0 40 GHAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)c1cccc3ccccc13)C2=O 12984960 CSYPZRPRQJFJRT-IOXSGPKDSA-N 393.487 3.518 0 40 GHAB O=C(NCCc1ccco1)C1CCN(C(=O)c2cccc3ccccc23)CC1 12996561 BMLPDCOGQLZLMF-UHFFFAOYSA-N 376.456 3.644 0 40 GHAB COc1cc(NC(=O)Cc2c(Cl)cc(C)nc2Cl)cc(OC)c1OC 15190518 MVKUGHIOAXGXTF-UHFFFAOYSA-N 385.247 3.904 0 40 GHAB COCCNc1nc(Nc2ccc(OC)cc2)c2cnn(-c3ccccc3)c2n1 16942737 FZCBNVHGXDNQSL-UHFFFAOYSA-N 390.447 3.626 0 40 GHAB COc1ccc(C2(CNC(=O)c3ccc(F)cc3Cl)CCOCC2)cc1 16969082 XPWUZLUGGJEWKD-UHFFFAOYSA-N 377.843 3.966 0 40 GHAB Cc1ccn2cc(C(=O)OCC(=O)c3cc(C)n(-c4nccs4)c3C)nc2c1 17183637 TUXJFWBSZPHBRP-UHFFFAOYSA-N 394.456 3.546 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1F 19116643 NVDKNJATHRGDKD-SNVBAGLBSA-N 396.344 3.695 0 40 GHAB O=c1cc(C[C@@H](NCc2ccncc2)c2ccc(F)cc2)nc(C2CCC2)[nH]1 19332477 RIEQZGPFWQZDAJ-HXUWFJFHSA-N 378.451 3.645 0 40 GHAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCCN(C(C)C)C1 19529967 UXGLKXVVYVXPLK-IERDGZPVSA-N 376.472 3.763 0 40 GHAB CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCO2 19625437 LVYCVAIYUMWUAC-UHFFFAOYSA-N 375.324 3.598 0 40 GHAB CCN(CC)C(=O)CN1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 19690274 MTNXYVHFWJIOBN-UHFFFAOYSA-N 383.511 3.859 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(COc2cccc(OC)c2)o1 19928598 OIZDEJUSLQGLGP-UHFFFAOYSA-N 399.472 3.950 0 40 GHAB CCc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 20108300 NCIFDOIPRVLQFZ-UHFFFAOYSA-N 386.517 3.817 0 40 GHAB CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(CCc2ccc(OC)cc2)C1 20677465 SUPBGLORDPWORL-UHFFFAOYSA-N 394.475 3.672 0 40 GHAB CCCC(=O)Nc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC 22259131 LXRBZKMHBLAPJR-UHFFFAOYSA-N 382.869 3.888 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 22329023 USYCHVJFLOJNKE-GOSISDBHSA-N 388.533 3.564 0 40 GHAB Cc1ccccc1NC(=S)N[C@H](C)[C@H](c1cccs1)N1CCN(C)CC1 22456985 LFWPVSNFMSKJIR-VQIMIIECSA-N 388.606 3.720 0 40 GHAB CNC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1 22961459 JHLFSAUEGDVMCE-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc3c(c2)CCO3)cc1 23146993 VDLCNHZXAMUSPG-UHFFFAOYSA-N 378.428 3.987 0 40 GHAB Cc1nc(CC(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cs1 23223392 SNFHUSBCQVAIAS-LBPRGKRZSA-N 388.489 3.793 0 40 GHAB O[C@H](CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 28135885 FPXGSQQPSVOCJY-QGZVFWFLSA-N 399.844 4.000 0 40 GHAB Cc1nc(C)c(C(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)s1 29286001 ADEZZNSYKSWFRN-UHFFFAOYSA-N 399.438 3.617 0 40 GHAB Cn1c(SCCOc2ccc(Br)cc2)nc2sccc2c1=O 29864859 RGEHUEALCVSSTG-UHFFFAOYSA-N 397.319 3.929 0 40 GHAB CC[C@H]1CN(C(=O)COc2ccc3ccccc3c2Br)CCO1 30849075 LEQFVDLCQMPUJS-AWEZNQCLSA-N 378.266 3.619 0 40 GHAB COc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ncccn2)cc1OC(C)C 32097063 IDDKCJMGNFBXHJ-OAHLLOKOSA-N 393.447 3.890 0 40 GHAB C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccc2c(c1)CCC2 32774389 DJYGKZSVSVUORZ-CYBMUJFWSA-N 379.485 3.542 0 40 GHAB Cc1ccc2nc(C)cc(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)c2c1 32845658 DOUMVDVZQMLPMC-UHFFFAOYSA-N 387.483 3.886 0 40 GHAB CN(C)C[C@H](CNC(=O)Nc1cccc2ccccc12)[C@H](O)c1ccccc1 32912640 AEPLNSPHYKGNIV-SIKLNZKXSA-N 377.488 3.873 0 40 GHAB CCCn1nc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)ccc1=O 39975539 MUYBBCDSWSOSLD-UHFFFAOYSA-N 388.880 3.606 0 40 GHAB Cc1cc(CSc2ncccc2C(=O)NCCO[C@H]2CCCC[C@H]2C)no1 40113177 DXUDYPAJZJQBQL-KDOFPFPSSA-N 389.521 3.995 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)N[C@H](C)c3ccccc3)n2)cc1C 41254984 SRWXKHOCUFLTHE-GOSISDBHSA-N 375.472 3.795 0 40 GHAB COc1ccc2oc(C)c(C(=O)N(C)Cc3ccc(C(=O)NC4CC4)cc3)c2c1 44977911 XWFIGVKXPCINCW-UHFFFAOYSA-N 392.455 3.914 0 40 GHAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 48354227 XWCAFKOMBNDXGT-JTQLQIEISA-N 375.837 3.814 0 40 GHAB Cc1ccc(NC(=O)c2csc3c2CC[C@H](C)C3)cc1NS(C)(=O)=O 60100973 RUXLBVOLRIBVHP-NSHDSACASA-N 378.519 3.805 0 40 GHAB O=C1C[C@H](c2ccc(C(=O)O)cc2)c2cnn(Cc3ccc(Cl)cc3)c2N1 61717706 CIABPRRVFKFZPF-MRXNPFEDSA-N 381.819 3.757 0 40 GHAB CSc1ccccc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 62022959 OQPQJSZUXIEGAG-ZDUSSCGKSA-N 394.456 3.564 0 40 GHAB C[C@H]1CN(CC(=O)NC2CCC(C(F)(F)F)CC2)C[C@H](c2ccccc2)O1 65515142 UBVITWSMCADBEF-IWCVFHTOSA-N 384.442 3.686 0 40 GHAB O=c1[nH]c(CNc2cccc(Cl)c2)nn1Cc1cccc(OC(F)(F)F)c1 71283883 YJHUQRRIECEADL-UHFFFAOYSA-N 398.772 3.784 0 40 GHAB Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC(CCc2ccc(O)cc2)CC1 71806094 COQBCPQHOATHMS-FQEVSTJZSA-N 382.508 3.558 0 40 GHAB CC(C)S(=O)(=O)c1ccc(CC(=O)N(CCc2cccs2)C2CC2)cc1 77184061 HMPVRODZBFUPPY-UHFFFAOYSA-N 391.558 3.706 0 40 GHAB O=C(NCCc1nc2c(s1)CCCC2)c1ccc(OCc2ccccn2)cc1 84610122 UFECMLCTNYMCFO-UHFFFAOYSA-N 393.512 3.968 0 40 GHAB COCCN(Cc1ccco1)C(=O)c1cc(Br)cc(Cl)c1O 95456811 XBFBQQWJKBKHLH-UHFFFAOYSA-N 388.645 3.690 0 40 GHAB O=c1[nH]n(C2CCOCC2)c2c1[C@H](c1ccc(OC(F)(F)F)cc1)CC(O)=N2 95476143 LWKJYEUKPLMVQB-ZDUSSCGKSA-N 397.353 3.550 0 40 GHAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccco1)CC2 96037037 HJXWTIBPGYISBD-UHFFFAOYSA-N 390.487 3.610 0 40 GHAB COc1ccccc1CC(=O)NC[C@H]1CC[C@H]([C@@H](c2ccccn2)N(C)C)CC1 100750203 XNPUCJFAWGCFNP-GLDPYIMESA-N 395.547 3.858 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4ccco4)[C@H]3C2=O)cc1 100799312 GNDIHGXIRKDVMJ-HKBOAZHASA-N 388.423 3.948 0 40 GHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccn(Cc2c(Cl)cccc2Cl)n1 101593169 SMIOUIRQYRTLHT-TXEJJXNPSA-N 378.259 3.918 0 40 GHAB COC(=O)COc1ccc(CNC(=O)CCCC/C=C/C(C)C)cc1OC 148880854 XGIYSIOMIUPVGR-VQHVLOKHSA-N 377.481 3.636 0 40 GHAB CCC[C@H](C)Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O 217584310 OISZVAYRXXNQNF-AWEZNQCLSA-N 382.526 3.986 0 40 GHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2cccs2)no1 219325919 OSGKUMHYHIEDEN-CYBMUJFWSA-N 377.853 3.925 0 40 GHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccccc1OC 219503678 MRUMJXLFQXCZSM-YOEHRIQHSA-N 385.460 3.890 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 222478025 ZDGVGHIIVOUHLZ-GOSISDBHSA-N 382.504 3.661 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 222993574 LHROPKBHSUDEMB-UONOGXRCSA-N 398.351 3.525 0 40 GHAB CC(C)c1ccc(CNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 224510270 WQFBXDZPINAHMR-UHFFFAOYSA-N 386.517 3.670 0 40 GHAB COc1cccc2cc(C(=O)NC[C@](O)(c3ccco3)c3cccs3)oc12 225586673 APWDOPPEBOBPQK-FQEVSTJZSA-N 383.425 3.762 0 40 GHAB O=C(Cc1ccc(Br)cc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225686360 MFYUNFIUVVHGHR-HXUWFJFHSA-N 399.332 3.651 0 40 GHAB O=C(CSc1ccc(F)cc1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 238873710 NNBZAOQJZHOERG-QZTJIDSGSA-N 383.448 3.711 0 40 GHAB O=C(NC1CCC(O)CC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257212387 CDFDQIBGLFLYFN-UHFFFAOYSA-N 394.515 3.508 0 40 GHAB O=C1CO[C@]2(CCCN(CCc3ccc(F)cc3)CC2)CN1Cc1ccccc1 257294189 QSZXGFDSZMQCGN-DEOSSOPVSA-N 396.506 3.652 0 40 GHAB Cc1ccc(-c2ccc3c([C@@H]4CN(C(=O)c5ccco5)CCO4)nnn3c2)cc1 306126476 DXCCOOCBAPWPAN-FQEVSTJZSA-N 388.427 3.511 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 408594462 SFRRCZJBXXWSDT-UHFFFAOYSA-N 389.477 3.514 0 40 GHAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O 409010080 JLCYAECFZQWXOJ-LQGZHCLWSA-N 386.267 3.998 0 40 GHAB COc1cccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)O 409250841 OEIWBAQKMZZOKO-IEMQHYRPSA-N 399.424 3.788 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](O)c1ccc(-c2ccsc2)o1 575609388 BGAMYQCEMMJSGZ-XCWSRWAASA-N 383.425 3.600 0 40 GHAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2cnc3ccccn23)cc1 585091836 YASVMRXJLYUHFR-UHFFFAOYSA-N 385.423 3.875 0 40 GHAB COc1cc(OC)c2cc(C(=O)NCCc3cn(C)c4ccccc34)n(C)c2c1 604406015 XYFPCFKIIUAXPS-UHFFFAOYSA-N 391.471 3.660 0 40 GHAB biogenic CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)CC1CC1 643584644 RNOWCMOFMPOACL-IBGZPJMESA-N 386.536 3.975 0 40 GHAB O=C(O)c1cccnc1CN1CCC(Oc2cccc(Br)c2)CC1 652435607 VNAURBRSWHQLMW-UHFFFAOYSA-N 391.265 3.586 0 40 GHAB Cn1nc(C(=O)NC(C)(C)c2ccc(C(F)(F)F)cc2)c2ccccc2c1=O 1536879439 XZTTVBLYIAVMLB-UHFFFAOYSA-N 389.377 3.617 0 40 GHAB Cc1cccc(Oc2cc(CNC(=O)N3C[C@@H](C)[C@](C)(CO)C3)ccn2)c1C 1564210129 DGHWNJIZTJPLEQ-ZHRRBRCNSA-N 383.492 3.651 0 40 GHAB O=C(c1ccc2cc[nH]c2c1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1565522901 AZYDLLFISKDNAJ-UHFFFAOYSA-N 390.487 3.768 0 40 GHAB CC1(C)C[C@@]2(CCCN2C(=O)CCCn2cccn2)CN1c1ccc(F)cc1 2037978016 JERYEQOELSNWAF-QFIPXVFZSA-N 384.499 3.853 0 40 GHAB CCOC(=O)C1=C(N)Oc2ccc3ccc(O)cc3c2[C@H]1c1ccc(F)cc1 692228 OYIOAABPCKBXJT-GOSISDBHSA-N 379.387 3.942 0 40 GHAB Cc1ccc(-c2cc(=N[C@H](CCC(=O)O)C(=O)O)c3cc(C)ccc3o2)cc1 938322 RWKZOHYJQPTYMF-QGZVFWFLSA-N 379.412 3.935 0 40 GHAB CN[C@@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 1756104 RRCKMQLZGKWNPR-OAHLLOKOSA-N 387.501 3.668 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(NC(C)=O)cc1 2601579 AYBNYIBESYIIJW-PVNDBCPPSA-N 387.524 3.941 0 40 GHAB CSc1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 3391148 ZCSUWEMJNVLYIX-UHFFFAOYSA-N 391.514 3.550 0 40 GHAB COc1ccc(Cl)cc1C(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O 4032906 PTKJPGGMYQUKBM-UHFFFAOYSA-N 384.863 3.779 0 40 GHAB CCC(CC)C(=O)Nc1nnc(SCC(=O)Nc2ccc(OC)cc2)s1 4077865 MREKJELPOAKQKU-UHFFFAOYSA-N 394.522 3.652 0 40 GHAB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc(Cl)c1OC(C)=O 4836745 FBQSSRWJUBJRIJ-SXGWCWSVSA-N 385.803 3.927 0 40 GHAB COc1cccc(NC(=O)N2CCC[C@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)c1 4894430 NCOKLZMITKAOFC-SXYIGIQMSA-N 397.519 3.777 0 40 GHAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1cccc2ccccc12 5075998 KSDLEXIEGKEVCL-UHFFFAOYSA-N 396.468 3.641 0 40 GHAB Cc1[nH]c(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nc1Cc1ccccc1 5312494 LEEJUIJHGNETMG-CQSZACIVSA-N 394.500 3.527 0 40 GHAB O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)Nc1ccc(F)c(F)c1 5399110 GNHKYELVGZRNAL-UHFFFAOYSA-N 391.377 3.980 0 40 GHAB CCn1nnc2cc(C(=O)OCc3csc(-c4cccc(OC)c4)n3)ccc21 5805397 ZETRZMZYTBMEPU-UHFFFAOYSA-N 394.456 3.940 0 40 GHAB COc1cccc(Nc2nnc(SCC(=O)N3CCCCCC3)s2)c1 6831411 JSIMXBHTPXLHTI-UHFFFAOYSA-N 378.523 3.785 0 40 GHAB O=C(c1ccccc1C(F)(F)F)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 6850062 AVWDWRIUTUBWOU-HNNXBMFYSA-N 397.418 3.535 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1 7654368 LWNDDKCNHCFUHJ-UHFFFAOYSA-N 387.486 3.611 0 40 GHAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 7726686 BDKPFHLRPFDOMU-UHFFFAOYSA-N 384.379 3.633 0 40 GHAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1 7939893 MMYOXSBDLMOVNT-UHFFFAOYSA-N 389.835 3.948 0 40 GHAB COCCc1ccc(-c2csc(NC(=O)[C@H]3COc4ccccc4O3)n2)cc1 7973782 WZEMJHIRSPAOGC-LJQANCHMSA-N 396.468 3.778 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(OC(F)(F)F)cc1 8074303 NCCYWHZNFQADSG-UHFFFAOYSA-N 378.350 3.893 0 40 GHAB O=C(NC1CC1)c1cccc(N[C@@H](C(=O)N2CCCCC2)c2ccccc2)c1 8232095 NQQBPRYDHVERQQ-OAQYLSRUSA-N 377.488 3.745 0 40 GHAB COc1ccc(CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1F 8237819 VXMFETWCRVFJQY-UHFFFAOYSA-N 386.345 3.803 0 40 GHAB COc1ccc2[nH]c(=O)c(CN(C(=O)[C@H]3CCCO3)c3cccc(C)c3)cc2c1 8762762 WOXZCNKNJVFYPG-OAQYLSRUSA-N 392.455 3.557 0 40 GHAB CCCCNC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1 8852286 SBTOLEDHPGYFMY-UHFFFAOYSA-N 397.953 3.986 0 40 GHAB Cc1c(C)n(Cc2ccncc2)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12 9060822 TXDQLVFDALCNJD-UHFFFAOYSA-N 397.486 3.872 0 40 GHAB CCCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n[nH]c1=O 9255325 KFCPYVHBINUNFZ-AWEZNQCLSA-N 382.489 3.768 0 40 GHAB COc1ccc(C)cc1CN(C)C(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 9918848 QJWXYVATYCJJMZ-UHFFFAOYSA-N 391.471 3.647 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CNc3ccccc3OC(F)(F)F)ccc21 10854338 RXWMWLMCTNJIKC-UHFFFAOYSA-N 393.365 3.545 0 40 GHAB Cc1nc(Cc2nnc(S[C@H](C)C(=O)Nc3ccccc3F)o2)cs1 11105055 HKFODIRYEOSPSG-SECBINFHSA-N 378.454 3.684 0 40 GHAB Cc1cc(=O)oc2cc(OCc3cc(=O)n4c(C)csc4n3)c(Cl)cc12 11290913 GTWRTXWPSJKFNR-UHFFFAOYSA-N 388.832 3.712 0 40 GHAB COc1ccc(CN2Cc3cc4ccc(OC)cc4nc3O[C@@H](C)C2=O)cc1 12115584 GXAMUBZVFUBXBA-AWEZNQCLSA-N 378.428 3.562 0 40 GHAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)on1 12118413 BOKJJXALPIEKCQ-MRXNPFEDSA-N 380.423 3.528 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCCCc3ccco3)cc12 12186175 KCYLDYMOTKBFJY-UHFFFAOYSA-N 396.878 3.991 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c(C)c1 12541434 XZAKQOWBFIUYIR-SFHVURJKSA-N 387.480 3.552 0 40 GHAB CC(C)n1ncc2cc(NC(=O)CCc3nc(-c4ccccc4)no3)cnc21 12810709 UBXLATZTMRCEGW-UHFFFAOYSA-N 376.420 3.634 0 40 GHAB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2cccc3ncccc23)C[C@@H](C)O1 12859289 WYMIVILUTVWCST-HZPDHXFCSA-N 389.455 3.737 0 40 GHAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1CCOc1cccc(Cl)c1 13074401 RTJGHSDVBCUSGC-SFHVURJKSA-N 376.865 3.564 0 40 GHAB Nc1ccccc1CNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 13576907 QJHKYXLOVNOGLH-TYYOMUADSA-N 397.478 3.912 0 40 GHAB CCOc1cccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 13668479 WZFXBDUSLDJZOF-ZDUSSCGKSA-N 396.896 3.532 0 40 GHAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 13672231 AAGCZAVMRSNAGT-ZRDIBKRKSA-N 385.416 3.541 0 40 GHAB COC(=O)c1cc(NC(=O)CCSCc2ccccc2)cc(C(=O)OC)c1 13688158 XIHSQDHWKCNJSK-UHFFFAOYSA-N 387.457 3.522 0 40 GHAB O=C(CCc1ccccc1)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1 13944350 CBHDVFMBJLVREV-INIZCTEOSA-N 392.484 3.630 0 40 GHAB C/C=C/c1ccc(OCC(=O)Nc2ccc(CN3CCOCC3)cc2)c(OC)c1 14111661 ITLIUUFDPKVQGV-ONEGZZNKSA-N 396.487 3.578 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)c(OC)c1 15334200 WYVXOUMSXBYKEE-LJQANCHMSA-N 375.490 3.846 0 40 GHAB COc1ccc2oc(=O)c(S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2c1 15830804 JLCQNQAJVBKGGV-UHFFFAOYSA-N 385.224 3.941 0 40 GHAB CCc1nnc2sc(-c3ccc(NC(=O)COc4ccc(C)cc4)cc3)nn12 16162679 VEBPYCFCPQUFLU-UHFFFAOYSA-N 393.472 3.741 0 40 GHAB CCCc1nn(CC(=O)Nc2ccccc2Cl)c(=S)n1-n1cccc1 16806809 NIHPPQZNLHIVJE-UHFFFAOYSA-N 375.885 3.772 0 40 GHAB O=C(N(c1ccc(Oc2ccccc2)cc1)[C@@H]1C=CS(=O)(=O)C1)C(F)(F)F 16839794 GCWNJTWDCVLOAJ-CQSZACIVSA-N 397.374 3.685 0 40 GHAB Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCc2ccccc2C)cc1 17041536 DHRCQIJHOMAQKU-UHFFFAOYSA-N 395.528 3.601 0 40 GHAB COc1cccc(CN2CCC[C@H]2c2nnc(-c3ccc(C)nc3)o2)c1OC 19215102 GBSBTDIXFHRDGY-KRWDZBQOSA-N 380.448 3.794 0 40 GHAB O=C(Nc1nc2c(s1)CCCCC2)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 19407024 BOMLIJOBOPJEMS-XFKLWTPLSA-N 397.548 3.938 0 40 GHAB CN(C)CCn1cc(CN(Cc2ccccn2)C[C@H]2CCCO2)c2ccccc21 19583312 VKVVVMAVBUNDAT-JOCHJYFZSA-N 392.547 3.779 0 40 GHAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C(\Cl)c1ccc(F)cc1 19944835 HDHLFKHBHYSKSS-DHDCSXOGSA-N 379.815 3.519 0 40 GHAB Cc1ccc([C@@H](NC(=O)c2cccc(NS(C)(=O)=O)c2)c2ccccc2)cc1 22510086 PROJMMKTIUDVNM-NRFANRHFSA-N 394.496 3.886 0 40 GHAB COc1cc(OC)c(OC)cc1CNCc1ccc(OC)c(OC(F)F)c1 22793645 SQXUDRAUUYPPKQ-UHFFFAOYSA-N 383.391 3.612 0 40 GHAB COCc1ccccc1CNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 23132421 CQZKXICDKJKWJM-UHFFFAOYSA-N 394.471 3.876 0 40 GHAB CCCCn1c(SCC(=O)c2ccc(O)c(NC(C)=O)c2)nc(C)c1C 26122113 WYEKEPXWUFBEKS-UHFFFAOYSA-N 375.494 3.939 0 40 GHAB CCCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 28290269 RQUTVMWMMGDAMB-SFHVURJKSA-N 392.521 3.620 0 40 GHAB O=C(c1ccccn1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 31164864 LNRGHNQMWYOAHK-UHFFFAOYSA-N 381.476 3.907 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2ccc(O)c(-c3nc4cnccc4o3)c2)c1 32073690 BYFWIVAOHLODKZ-UHFFFAOYSA-N 391.383 3.865 0 40 GHAB CC[C@@H](CO)Nc1nc2sc(C)c(C)c2c2nc(Cc3ccccc3)nn12 32104087 GKRFDQZMHVWCBI-HNNXBMFYSA-N 381.505 3.729 0 40 GHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCC[C@H]3CCCO3)cc12 32753575 VBEAMRMATPONMZ-MRXNPFEDSA-N 387.480 3.893 0 40 GHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccccc1Cl 32754201 QBXUWVWJSDPPOO-JWAFFJSPSA-N 377.893 3.976 0 40 GHAB CC[C@H](c1nnc(Sc2cc(C)nc(C)n2)n1-c1ccc(OC)cc1)N(C)C 32769897 JVTKNJFKUBRBGX-QGZVFWFLSA-N 398.536 3.847 0 40 GHAB CCc1ccc(Cl)c(CC)c1NC(=O)Cn1cnc2ccc(F)cc2c1=O 32796470 NKUVRLNFIHTQLK-UHFFFAOYSA-N 387.842 3.953 0 40 GHAB CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1ccc(-n2cccn2)nc1 32802608 WNPSQLXNAXLOHK-UHFFFAOYSA-N 389.381 3.628 0 40 GHAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Cn2ccnc2)cc1 32913131 YMRXLJFELFHWJJ-UHFFFAOYSA-N 389.377 3.803 0 40 GHAB CC(=O)NCCC(=O)Nc1ccccc1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 34870147 DEHYXRYIDLVBHX-OXFYSEKESA-N 388.508 3.769 0 40 GHAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)c1cccc(C(F)(F)F)c1 35592929 IIXYAHVCGFWDSR-GOSISDBHSA-N 378.394 3.509 0 40 GHAB COc1ccccc1C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 35597662 LIQDFEJVHIIHMS-UHFFFAOYSA-N 381.407 3.904 0 40 GHAB CCCN(Cc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 40104709 SFBRXTIGKJSBEQ-UHFFFAOYSA-N 381.476 3.603 0 40 GHAB CCC(=O)N1CCc2cc(C(=O)Nc3nc4c(OC)cccc4s3)ccc21 40143622 GRZZXZDPVALFKL-UHFFFAOYSA-N 381.457 3.856 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 40930024 KAKXRCMQNKIJCC-QFBILLFUSA-N 382.508 3.644 0 40 GHAB O=C(N[C@H]1CCN(C2CC2)C1)c1cn(-c2ccccc2)nc1-c1cccs1 48274552 YGUWGELONZWOBR-HNNXBMFYSA-N 378.501 3.567 0 40 GHAB CCOC(=O)CN(c1ccccc1F)S(=O)(=O)C1=Cc2ccccc2CC1 48290365 BUAZCYYXRRMMHY-UHFFFAOYSA-N 389.448 3.512 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(Nc2ccc(F)c(C)c2)n1 57507804 FXMAQCDEBPWHIE-UHFFFAOYSA-N 394.450 3.998 0 40 GHAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 67567192 GGNLJFUBRKRBNR-JXFKEZNVSA-N 381.476 3.691 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(N2CCCNC2=O)c1 72300937 YSWBCUPLAOHCRF-UHFFFAOYSA-N 388.471 3.953 0 40 GHAB CCN(CC(=O)Nc1ccc(F)c(F)c1)CC1CCN(c2ccccn2)CC1 72305294 KIKOWCIDNNSHDS-UHFFFAOYSA-N 388.462 3.537 0 40 GHAB Cc1ccc(-c2noc(CCC(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)n2)cc1F 78737293 FPKXSUDSSQRTDG-KRWDZBQOSA-N 399.470 3.544 0 40 GHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N(Cc1ccccn1)C1CC1 84609977 JCIXZCMAJKMCRI-UHFFFAOYSA-N 387.867 3.771 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCCCn1ccnc1-c1ccccc1 90583383 KQDKZLZTOMBYLW-UHFFFAOYSA-N 389.908 3.713 0 40 GHAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1cc(C)ccc1C(C)C 95351290 ICKRDFHRTLISGL-FQEVSTJZSA-N 381.472 3.624 0 40 GHAB COc1cccc(-c2nc(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cs2)c1 95474824 CNNRQIKPUSMCRS-HRAATJIYSA-N 386.517 3.515 0 40 GHAB C[C@@](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)(C(=O)O)C1CC1 95989580 PUTQPRTUSBIWBA-INIZCTEOSA-N 384.379 3.812 0 40 GHAB Cn1ncc(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1C(F)(F)F 95993107 RDYFDSKVYPJDDX-AWEZNQCLSA-N 396.461 3.984 0 40 GHAB O=C1CS[C@@H](c2ccc(F)c(Cl)c2)c2c(O)nn(C3CCOCC3)c2N1 96117267 IHPGZVFAECKMRP-HNNXBMFYSA-N 397.859 3.507 0 40 GHAB COc1cccc(-c2nn3c(O)cc(CCc4c(C)n[nH]c4C)nc3c2C)c1 100775740 GMYNUYYGKLZTFF-UHFFFAOYSA-N 377.448 3.544 0 40 GHAB O=C1C[C@H](N2CCc3ccccc3C2)C(=O)N1c1cc(Cl)cc(Cl)c1 101095599 ZIBKRYHCMALQLS-KRWDZBQOSA-N 375.255 3.684 0 40 GHAB COc1cccc(Cn2c(O)cc3nn(-c4ccc(Cl)cc4)c(=O)c-3c2C)c1 102492511 KEDGJVMKTDRBJX-UHFFFAOYSA-N 395.846 3.863 0 40 GHAB O=C(/N=c1/sccn1Cc1ccccc1)c1cccc(NC(=O)C2CC2)c1 103973454 VKQAIBPDPIGUET-XTQSDGFTSA-N 377.469 3.688 0 40 GHAB CCCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 222991075 PCRFKBGBHHUNPX-IBGZPJMESA-N 396.531 3.961 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc1C 222995499 WQPWFQRBTPWHEV-UHFFFAOYSA-N 396.306 3.908 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCC2 223184398 BCQBHARYCUHTIK-LBPRGKRZSA-N 380.307 3.977 0 40 GHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 223220242 WECUKFLBUCXNBE-RTWAWAEBSA-N 397.592 3.922 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223867296 UFEOZTVNRPKANY-QGZVFWFLSA-N 382.479 3.844 0 40 GHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2cccs2)no1 224005045 PXGYXCOESJUJKD-CYBMUJFWSA-N 383.473 3.761 0 40 GHAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 224022661 UQXATYVZPOJHLN-QGZVFWFLSA-N 380.554 3.726 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 224209598 NBTNBTPTHQUGJZ-JOCHJYFZSA-N 396.531 3.934 0 40 GHAB O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1cccc(Cl)c1 224287762 XKJYYAWRJPHGMV-UHFFFAOYSA-N 379.800 3.862 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)N3CCCC3)c2)cc1 224338770 BCGPLEZGSFEJCR-UHFFFAOYSA-N 392.908 3.710 0 40 GHAB O=C(NCc1cccc(CN2CCCCC2)c1)c1cccc(N2CCCC2=O)c1 224678887 QRYCTQIURDQERH-UHFFFAOYSA-N 391.515 3.729 0 40 GHAB COCCOCC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257266975 MFJJWQRIVOOLIS-SFHVURJKSA-N 392.883 3.635 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCN2CCC[C@H](C)C2)c1 260735403 HMILFIKTJITAEM-HNNXBMFYSA-N 377.554 3.580 0 40 GHAB COc1ccc(-c2nsc(NC(=O)N[C@H]3Cc4cccc(OC)c4C3)n2)cc1 520357472 PZIZLNKJRJXGMR-AWEZNQCLSA-N 396.472 3.511 0 40 GHAB O=S(=O)(Nc1cccc2ncccc12)c1ccc(OCC(F)(F)F)cc1 535653816 AWZWRASDSYCCOM-UHFFFAOYSA-N 382.363 3.977 0 40 GHAB Cc1cc(C)n([C@@H](CNC(=O)c2ccccc2Br)c2ccco2)n1 575614409 RWDKZUZPSTWOIV-INIZCTEOSA-N 388.265 3.875 0 40 GHAB CC(C)n1nc(-c2ccccc2)cc1NC(=O)N=c1cc(C2CCOCC2)[nH][nH]1 583000650 MLBKILUOAZOPJM-UHFFFAOYSA-N 394.479 3.814 0 40 GHAB O=C(NCc1cccc(OC2CC2)c1F)Nc1ccc(C(=O)N2CCCC2)cc1 665441155 ZSHMSVOTIQOMTE-UHFFFAOYSA-N 397.450 3.925 0 40 GHAB CC(C)(CNC(=O)N1CCC(c2ccccc2C(=O)O)CC1)[C@H]1CCCCO1 666536257 OSRKQULDDWXRGN-LJQANCHMSA-N 388.508 3.869 0 40 GHAB O=C(NC1CCC2(CCC(=O)N2Cc2ccccc2)CC1)C1CC(F)(F)C1 1565554326 OOPBQOQJCQTALZ-UHFFFAOYSA-N 376.447 3.652 0 40 GHAB O=C(NCc1cccc(Br)c1Cl)c1nc[nH]c1C(F)(F)F 1570364876 BKQWKPOPZILMOR-UHFFFAOYSA-N 382.567 3.774 0 40 GHAB CN1Cc2ccccc2NC2(CCN(Cc3cc(F)cc(F)c3)CC2)CC1=O 2037978349 RDOZKTSMWBDTRW-UHFFFAOYSA-N 385.458 3.774 0 40 GHAB O=C(COc1coc(CN2CCCC2)cc1=O)Nc1ccc(Cl)c(Cl)c1 71284649 MYNCZKJYAGAADQ-UHFFFAOYSA-N 397.258 3.560 0 40 GHAB COC(=O)CCN(CC(C)C)C(=O)c1cccc(OCc2c(C)noc2C)c1 47674181 BMPZINVYAPOGDJ-UHFFFAOYSA-N 388.464 3.532 0 40 GHAB COc1ccc(C2=NN(C(=O)c3ccc(C)cc3)[C@](O)(C(F)(F)F)C2)cc1 910696 DVWLCAOPPMSJQQ-GOSISDBHSA-N 378.350 3.505 0 40 GHAB O=S(=O)(N[C@@H](c1ccc(O)cc1)C(Cl)(Cl)Cl)c1ccccc1 1062612 XVPBDMPXEQIRAU-ZDUSSCGKSA-N 380.680 3.782 0 40 GHAB CCOC(=O)C1CCN(c2ncnc3c(-c4ccc(OC)cc4)nsc23)CC1 1370762 XEYZFULYHOODLX-UHFFFAOYSA-N 398.488 3.541 0 40 GHAB COc1ccc(-c2nc(CN3CCC[C@H]3c3nnc4ccccn34)co2)cc1 42754699 BPMTWBLEULCSFO-SFHVURJKSA-N 375.432 3.730 0 40 GHAB COc1ccc(F)cc1[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 42929532 CQLUSLAPGSGIMM-MRXNPFEDSA-N 385.483 3.859 0 40 GHAB COc1cccc(CNCc2cccc(NC(=O)c3ccncc3)c2)c1OC 55171887 PPYCZDUSNQBOPC-UHFFFAOYSA-N 377.444 3.641 0 40 GHAB O=C(CSc1nc(=O)n2cc(Cl)ccc2n1)Nc1cccc2ccccc12 4504240 NDAJICWUTBENEJ-UHFFFAOYSA-N 396.859 3.627 0 40 GHAB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)CCC2 4800316 XZTFZEHCBMNZPI-UHFFFAOYSA-N 378.501 3.625 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N[C@@H](C)CCc3ccccc3)n2)cc1 4933280 JSLSRMFVFHVTQL-INIZCTEOSA-N 379.460 3.815 0 40 GHAB COc1ccc([C@@H]2CC(=O)c3cnc(NCc4ccco4)nc3C2)cc1OC 2108476 VGCBLUWOJDCVCC-AWEZNQCLSA-N 379.416 3.612 0 40 GHAB biogenic Cc1ncc(CN(C)C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)s1 58325684 YDOMGGCNLSGLIB-UHFFFAOYSA-N 393.534 3.832 0 40 GHAB COC(=O)c1cc(Br)ccc1NC(=O)/C=C/c1ccccc1OC 12799791 BLYUMFOWXAVLIY-JXMROGBWSA-N 390.233 3.896 0 40 GHAB Cc1ccc(C(=O)O[C@H](C)C(=O)N2CCCCCC2)cc1NC(=O)c1ccco1 12790957 JZFBLWOVOKWABR-MRXNPFEDSA-N 398.459 3.788 0 40 GHAB Cc1cc(C(=O)Cn2c(C)nc3ccccc3c2=O)c(C)n1Cc1ccco1 10821220 ZHLBWDRGCXHXBQ-UHFFFAOYSA-N 375.428 3.647 0 40 GHAB CC1CCN(C(=S)SCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)CC1 2394346 AAWKIMCYUVADNJ-LBPRGKRZSA-N 383.608 3.956 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nccs1)c1cc2ccccc2o1 36569569 VHVBJMBAWIGZLK-MRXNPFEDSA-N 391.452 3.869 0 40 GHAB Cc1nn(Cc2cccc(C(=O)NC3CCCC3)c2)c(C)c1Br 27970612 HLTFWONTTZADHD-UHFFFAOYSA-N 376.298 3.983 0 40 GHAB Cc1cc(N2CCN(Cc3ccc(Br)cc3)CC2)nc(C(C)C)n1 12860934 GXDMLGCFAJECJY-UHFFFAOYSA-N 389.341 3.993 0 40 GHAB O=C(NC[C@@H](O)c1cc2ccccc2s1)c1ccc(NC(=O)C2CC2)cc1 84595016 GBWVHRYWJHUCBS-QGZVFWFLSA-N 380.469 3.713 0 40 GHAB CN(C(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 10286281 GKCJLPGCKTZYJG-UHFFFAOYSA-N 394.496 3.929 0 40 GHAB O=C(N1CCC(c2nnc3n2CCC3)CC1)C1(c2cccc(Cl)c2)CCC1 47231144 SNDCQALUGHTZKR-UHFFFAOYSA-N 384.911 3.706 0 40 GHAB Cc1c(Cl)cccc1-n1c(S[C@@H]2CCOC2=O)nnc1-c1ccncc1 3415325 IERRQZMVFSUNEU-OAHLLOKOSA-N 386.864 3.699 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1cc(OC)c(OC)cc1OC)O[C@H](C)C2 12977879 YHMGQGPVIPVWMP-GFCCVEGCSA-N 387.432 3.687 0 40 GHAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(C(N)=O)cc3)s2)cc1 13000873 ISTRIAXJTNNLAK-UHFFFAOYSA-N 381.457 3.690 0 40 GHAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)CC(=O)Nc1ccc(Cl)cc1 13095690 WJYOOFCOLHCPQF-LBPRGKRZSA-N 380.275 3.891 0 40 GHAB Cc1ccc(C[C@H](CC(=O)Nc2nccs2)C(=O)Nc2nccs2)cc1 5000408 FZQDIKQCWDXUHJ-CQSZACIVSA-N 386.502 3.734 0 40 GHAB COc1cc2s/c(=N\C(=O)COc3ccc(Cl)cc3)[nH]c2c2cccnc12 13727513 SPFSBTIDFZTQEJ-UHFFFAOYSA-N 399.859 3.946 0 40 GHAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccc(Br)cc1 4306588 YGZKWMUWARODPO-INIZCTEOSA-N 387.233 3.875 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCC3)ccc2C)cc1 9378491 MWWJTWJGLQSZLS-UHFFFAOYSA-N 388.489 3.933 0 40 GHAB COC(=O)c1ccc(NC(=S)NC(=O)COc2ccc3ccccc3c2)cc1 4550557 VUODQQYRMAWIEI-UHFFFAOYSA-N 394.452 3.518 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc4ccccc4c3)ccc21 69041229 MWMVJENROZVRDG-UHFFFAOYSA-N 394.496 3.617 0 40 GHAB Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3ccccc3)C2=O)cc1 71768997 BALDOZGQRBJMQC-UHFFFAOYSA-N 375.472 3.925 0 40 GHAB Cc1ccc(Nc2nc(CSc3nnc(C(F)(F)F)n3N)cs2)cc1 5993373 FIXQFCMMQIXHTE-UHFFFAOYSA-N 386.428 3.812 0 40 GHAB c1csc(-c2noc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)n2)c1 7161207 XUSYCUFBTWDYBD-UHFFFAOYSA-N 386.414 3.869 0 40 GHAB C[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)Cc1cccc2ccccc12 7830014 BHAGLLYGKBHBAC-OAHLLOKOSA-N 378.497 3.706 0 40 GHAB CCOc1ccccc1NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 19911390 UJANPGNLMSREMD-UHFFFAOYSA-N 388.374 3.828 0 40 GHAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)Oc3c2c(C)nn3-c2ccccc2)cc1 8559676 LVIJEBWKPCCMBN-GOSISDBHSA-N 391.427 3.611 0 40 GHAB Fc1ccc([C@@H]2CN(C(=S)Nc3ccc4c(c3)OC(F)(F)O4)CCO2)cc1 69981213 FEAZQEMIRDFPQS-INIZCTEOSA-N 396.390 3.918 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCC(=O)c2ccc(C)cc2)c1 8929515 GODQYXGFQHWJCJ-MRXNPFEDSA-N 381.428 3.731 0 40 GHAB C[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)C1 95954999 HXSHCKAXYWOQLW-LALPHHSUSA-N 390.833 3.948 0 40 GHAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 408585517 YYRYONQFDHHEFZ-UHFFFAOYSA-N 379.526 3.633 0 40 GHAB O=C(CCCOc1ccc(Cl)cc1)NCc1nc(-c2cccs2)no1 65778903 PLOMEWLRZBPYQE-UHFFFAOYSA-N 377.853 3.927 0 40 GHAB Cc1cccc(Cn2nc(C)c(NC(=O)c3cc(C(F)(F)F)nn3C)c2C)c1 28238919 XYGPAZJTANUTJF-UHFFFAOYSA-N 391.397 3.861 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(C)c(C)c3)ccc21 35588130 QVWWOPOWANIUQD-UHFFFAOYSA-N 386.561 3.987 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c(C)c1 219171476 KDXXYVDZBDDVBE-GOSISDBHSA-N 388.533 3.727 0 40 GHAB CC(C)(C)n1ncc2c1-c1ccccc1OC21CCN(c2ncccn2)CC1 306129592 IHSRKRJMJUZVMP-UHFFFAOYSA-N 375.476 3.983 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccc(F)c(F)c1F 79481094 NNPAAEBNYYAMML-INIZCTEOSA-N 399.394 3.596 0 40 GHAB COc1cc(CN(CCCn2ccnc2)C[C@H]2CC=CCC2)cc2c1OCO2 36740230 REUCGMCBZPRPFB-SFHVURJKSA-N 383.492 3.869 0 40 GHAB Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)NCCc2ccccc2)ccn1 72360786 PTTFPDPHQWPLBA-IBGZPJMESA-N 390.491 3.533 0 40 GHAB Fc1ccccc1-c1ccccc1CN1CCn2c(nnc2[C@@H]2CCCCN2)C1 72374074 MQAZUFCZZHJSOT-NRFANRHFSA-N 391.494 3.915 0 40 GHAB COc1ccccc1-n1nnc(C(=O)N2CCc3ccccc32)c1-c1ccccn1 77199918 FVRSKTVURKBYHV-UHFFFAOYSA-N 397.438 3.541 0 40 GHAB NC(=O)c1cc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)c[nH]1 45852986 BFJIOXBPAGGMAP-UHFFFAOYSA-N 380.351 3.508 0 40 GHAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 223638548 QKKONNQNPLNDSG-CQSZACIVSA-N 393.505 3.875 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 224557421 IUPCDYKPQGCUJU-NRFANRHFSA-N 382.504 3.571 0 40 GHAB Cc1cc(C)cc(OCC(=O)Nc2nn3c(C4CCCCC4)nnc3s2)c1 41108814 KHBFQUWNXAFGIV-UHFFFAOYSA-N 385.493 3.868 0 40 GHAB COc1ccccc1-c1c2c(=O)n([C@@H]3CCCC[C@@H]3C)ccc2nc2ncnn12 40398151 GLGALRXNRVUWDP-WMLDXEAASA-N 389.459 3.866 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225212264 VPVDKWYAFHVEPG-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB CC(C)(C)NC[C@H]1CO[C@@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 96075485 OJASWGSLGMGZJF-SBUREZEXSA-N 381.520 3.634 0 40 GHAB Cc1nc(-c2ccc(F)cc2)nc2c1CCN(C(=O)Cc1ccsc1)CC2 96254743 VXWAFXNCFJBCGP-UHFFFAOYSA-N 381.476 3.823 0 40 GHAB CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCN(Cc3ccc(F)cc3)C2)nc1C 257286792 PNBHHXCCTJBIFG-IBGZPJMESA-N 398.526 3.633 0 40 GHAB O=C(c1ccccc1)N1CCC(Nc2nc(O)cc(-c3ccsc3)n2)CC1 257246561 IURQUACXINFZFR-UHFFFAOYSA-N 380.473 3.627 0 40 GHAB O=C(Nc1ccc(Cl)c(F)c1)c1nc(-c2ccc(OCC(F)F)nc2)no1 685685282 ZFIJMGVLTHBQSX-UHFFFAOYSA-N 398.728 3.820 0 40 GHAB CC1(C)[C@@H](NC(=O)Nc2ccccc2CN2CCOCC2)[C@@H]1c1ccccc1 626306608 QPUXGKDLQGNNFR-SFTDATJTSA-N 379.504 3.833 0 40 GHAB COc1ccc(Br)c(C(=O)NC[C@H](OC)c2cccc(F)c2)c1 96388261 GQTHKDPANAVSME-INIZCTEOSA-N 382.229 3.714 0 40 GHAB O=C(c1cccnc1N1CC[C@H](Nc2ccccc2)C1)N1CCc2ccccc21 72302096 UXEFWGVQBUKAHC-FQEVSTJZSA-N 384.483 3.975 0 40 GHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNC(=O)Nc1ccccc1 1775963790 CPTALWXHHIXRGK-VRXWPRPYSA-N 377.488 3.881 0 40 GHAB biogenic,in-vitro CCOCCCNCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O 12186357 ALOWVZYMRWEJPW-UHFFFAOYSA-N 382.508 3.528 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12284518 HYXUIXUQEOTSAG-MOPGFXCFSA-N 379.504 3.523 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3OC)C2)cc1 12471686 DPGMOWURDZXAGG-HNNXBMFYSA-N 383.448 3.586 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(OC)cc3)C2)cc1 12471848 ROUIWCAJETXSCW-HNNXBMFYSA-N 383.448 3.586 0 40 GHAB CC(=O)N1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19016581 DQTBHIPFBDEVMU-NSHDSACASA-N 380.395 3.812 0 40 GHAB C[C@@H](C(=O)N1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1)N1CCCCC1 19079656 RYFXHFCGHZAOFD-RNQSCQIESA-N 399.579 3.525 0 40 GHAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 19171083 OXRIQJWLBAJCIC-UHFFFAOYSA-N 396.468 3.698 0 40 GHAB Cc1ccc2oc(C(=O)N3CCCC[C@@H]3c3ncc4c(n3)CCNC4)cc2c1 19221322 NLIKADHGHKLAQJ-GOSISDBHSA-N 376.460 3.544 0 40 GHAB Cc1cccc(OC[C@H]2CCCN(C(=O)[C@H](C)Oc3ccc4c(c3)OCO4)C2)c1 19235157 KBKZBAXJKWAPEY-ROUUACIJSA-N 397.471 3.809 0 40 GHAB O=C(Cc1cccc(Cl)c1)N1CCC[C@H](c2nnc(-c3ccccn3)o2)C1 19403282 XYTWMWDNFXMRKR-HNNXBMFYSA-N 382.851 3.734 0 40 GHAB COc1ccc2nc(CN3C[C@@H]4CCC[C@H](C3)C4(O)c3cccnc3)ccc2c1 19563661 MTCQNXWQBVCNSH-VXMMSVGHSA-N 389.499 3.758 0 40 GHAB COc1ccccc1C(=O)N[C@H](C)Cn1c(C(F)(F)F)cc2cccnc21 19575482 PPIPDEGCUZKFPB-GFCCVEGCSA-N 377.366 3.882 0 40 GHAB Cc1nn(C(C)C)cc1S(=O)(=O)Nc1ccccc1OC[C@@H]1CCCCO1 19583340 VPRGXBUWFVEJJL-INIZCTEOSA-N 393.509 3.521 0 40 GHAB CCc1nnc2n1C[C@@H](c1ccc(NC(=O)c3cc(C4CC4)on3)cc1)CC2 19699128 VEBZYSZJUHHRPS-HNNXBMFYSA-N 377.448 3.688 0 40 GHAB CC(=O)Nc1c(C(=O)NCCc2nc3cc(C)c(C)cc3[nH]2)[nH]c2ccccc12 19717733 JCNVMHNKMHRKMT-UHFFFAOYSA-N 389.459 3.592 0 40 GHAB Cc1c(Br)ccc(O)c1NC(=O)C[C@H](n1cccn1)C(F)(F)F 615473474 FIDXKJGJDNJOCI-NSHDSACASA-N 392.175 3.792 0 40 GHAB Cc1cc(I)ccc1NC(=O)c1cc(N)ccc1N(C)C 226324299 XFFRPHFMOTYYGT-UHFFFAOYSA-N 395.244 3.500 0 40 GHAB O=C(NC1CCCCC1)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156618 HUFIGLSOHKASDP-IBGZPJMESA-N 388.483 3.955 0 40 GHAB Cc1ncc(CN2C[C@@H](C(=O)O)[C@H](c3ccc(Br)cc3)C2)s1 565110717 FPSUEPWCHIGJMP-LSDHHAIUSA-N 381.295 3.514 0 40 GHAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc(C(F)(F)F)cc1 3246317 PQYDVBJWKXFCIM-UHFFFAOYSA-N 385.363 3.912 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc3oc4ccccc4c3c2)C1 5021012 KDNWOFBARRSBDF-OAHLLOKOSA-N 381.428 3.767 0 40 GHAB Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)c2)cs1 6851133 BYLSYLOXGQQCMD-OAHLLOKOSA-N 381.457 3.699 0 40 GHAB O=C(/C(=C/c1ccc(F)cc1)c1cccs1)N1CCN(c2ncccn2)CC1 16970190 YHZHDTXNEZCTGU-OBGWFSINSA-N 394.475 3.567 0 40 GHAB O=C(CCCC(=O)N1CCC2(CC1)OC(=O)c1ccccc12)c1ccccc1 245070504 QMRSYKBPCSVGCH-UHFFFAOYSA-N 377.440 3.728 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)n1nc(-c2ccccc2)ccc1=O 20095759 MOLRPRKNWBESLF-IBGZPJMESA-N 393.443 3.517 0 40 GHAB CCOc1ccc(CC(=O)Nc2ccc(-c3ccc4nnc(C)n4n3)cc2)cc1 4377149 OSTIGBWPKFBVSL-UHFFFAOYSA-N 387.443 3.680 0 40 GHAB CCCSc1cnc(NC(=O)c2nnn(-c3ccccc3OC)c2C)s1 5032524 JKTLEMYQWRWKOD-UHFFFAOYSA-N 389.506 3.795 0 40 GHAB Cc1nc2c(=O)n(CC(=O)Nc3ccc(F)cc3)nc(-c3ccccc3)c2s1 8954988 LQSFSMNDUGYWAP-UHFFFAOYSA-N 394.431 3.606 0 40 GHAB COc1cc(Cn2nc(-c3ccccc3)c3sc(C)nc3c2=O)cc(OC)c1 8955057 CAXCKHWBEYGBFO-UHFFFAOYSA-N 393.468 3.894 0 40 GHAB CC(C)C(=O)N1CCc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2C1 9035942 MUPJKEMAXFEHFD-UHFFFAOYSA-N 390.439 3.586 0 40 GHAB CN(C)C(=O)C1(Nc2ccccc2)CCN(C(=O)c2cccc(Cl)c2)CC1 2055750920 NIYZBBFHACSVFS-UHFFFAOYSA-N 385.895 3.515 0 40 GHAB Cc1cc2nc(NC3=NCN(Cc4ccc(Cl)cc4)CN3)nc(C)c2cc1C 19320768 TXFAGVWMYHHYGX-UHFFFAOYSA-N 394.910 3.997 0 40 GHAB COc1ccc(C2(CNC(=O)C(=O)Nc3ccc(C)c(F)c3)CCCC2)cc1 21691467 XTYFJFAHPYTFJF-UHFFFAOYSA-N 384.451 3.709 0 40 GHAB Cc1noc(C)c1CCC(=O)N1[C@H]2CC[C@H]1CC(n1cc(C(C)(C)C)nn1)C2 1775976204 VYMHRTYOXVGWNZ-HOTGVXAUSA-N 385.512 3.508 0 40 GHAB C[C@H](NC(=O)C(=O)NCc1ccc(C(=O)c2cccs2)s1)c1ccccc1 206678313 HPSQMNYUXNMDAV-ZDUSSCGKSA-N 398.509 3.534 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955412 YMDAYLDNAFCKSO-UHFFFAOYSA-N 398.413 3.866 0 40 GHAB COc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)c(OC)c1 32072661 IULATXLLJCKCKY-ZDUSSCGKSA-N 399.838 3.765 0 40 GHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 32857710 GLNNUPZKYYHRHJ-BFUOFWGJSA-N 383.835 3.752 0 40 GHAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)O[C@@H](C)C(C)=O)cc1OC 32903480 XKZVIRFGOHLKLE-HNNXBMFYSA-N 394.427 3.691 0 40 GHAB Cc1ccc(F)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c1 22690769 HAJHTTNHTXUQAH-AWEZNQCLSA-N 396.509 3.543 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)n2nc(C)cc2C)c2ccccc2)cc1 634125 RAJHUJATIPKYTD-HXUWFJFHSA-N 397.500 3.558 0 40 GHAB COc1ccc(NCc2nnc(SCC(=O)c3ccc(C)cc3)n2C)cc1 862237 JSCQDHAPIKPCCZ-UHFFFAOYSA-N 382.489 3.719 0 40 GHAB CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@H](c2ccc(Cl)cc2)NC(=O)N1 863157 IFJUDLRTJCSTBF-NSHDSACASA-N 398.715 3.709 0 40 GHAB COC(=O)c1ccccc1NC(=O)CSc1ncnc2sc(C)c(C)c12 888547 LGMCLSNFKFGUEB-UHFFFAOYSA-N 387.486 3.826 0 40 GHAB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCCC1 905007 NEGYQGQYAPJRDL-UHFFFAOYSA-N 394.928 3.589 0 40 GHAB CCc1ccc(N2C(=O)C=C(SCC(=O)Nc3ccc(C)cc3)C2=O)cc1 2347094 PEUJSGWLNREVNF-UHFFFAOYSA-N 380.469 3.686 0 40 GHAB O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1cccnc1Cl 2658821 GIUMTDRCJWWVLE-UHFFFAOYSA-N 389.622 3.603 0 40 GHAB O=S(=O)(c1ccc(F)cc1)N1CCN=C1SCc1ccccc1Cl 2711604 QGPSONAZOVFXIJ-UHFFFAOYSA-N 384.885 3.773 0 40 GHAB COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1cccs1 2796656 NKQUPSOOUQOFBL-UHFFFAOYSA-N 387.432 3.600 0 40 GHAB O=C(c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCCCC1 2938434 PIJSUVABLITQEN-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB Cc1cc(C)cc(OCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1 3260769 QWDXZVOWWHLRMF-UHFFFAOYSA-N 383.231 3.566 0 40 GHAB CCn1c2ccccc2c2cc(NC(=O)CN3CCC(C(=O)OC)CC3)ccc21 3305927 HJOIPPHYOFNTIT-UHFFFAOYSA-N 393.487 3.638 0 40 GHAB COc1ccc(C(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(OC)c1 3341562 SZMMTEXKKHSPTC-LBPRGKRZSA-N 378.808 3.551 0 40 GHAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)/C=C/c2ccco2)cs1 3447101 VSCHSSYLNPTBJM-CMDGGOBGSA-N 382.441 3.982 0 40 GHAB O=C(COC(=O)c1ccccc1OCc1ccccc1)NCCc1ccccc1 3515519 LRFUKTALESXDMM-UHFFFAOYSA-N 389.451 3.781 0 40 GHAB COc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC 3999938 WNYHIZKELUNZAH-ABSORMQESA-N 378.472 3.731 0 40 GHAB biogenic O=C(c1cccc(O)c1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 4163648 MLOXMUHPMMQXIY-MRXNPFEDSA-N 384.741 3.547 0 40 GHAB CNC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 4326451 DXZZYUREEOPEBR-LLVKDONJSA-N 388.489 3.502 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1OC 4735648 NLLXACBVSNVFPQ-HXUWFJFHSA-N 393.443 3.523 0 40 GHAB COC(=O)[C@@H]1C(=O)c2c([nH]c(C(=O)OC3CCCCCCC3)c2C)C[C@H]1C 4916930 MHHZRJRWCRQQHM-WBMJQRKESA-N 375.465 3.757 0 40 GHAB COc1ccc(-c2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)n2C)cc1 5849937 QIBHFIVQGZBCCY-GFCCVEGCSA-N 393.472 3.581 0 40 GHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)cc2)CC1 6026097 JBEOUVLUSKSLOG-UHFFFAOYSA-N 385.895 3.959 0 40 GHAB COc1ccc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1OC 6087259 ISMMLPITKSCLBF-UHFFFAOYSA-N 393.226 3.603 0 40 GHAB O=c1[nH]c(CSc2nnc(C3CC3)n2Cc2ccccc2)nc2ccccc12 6506896 LHDGNWHNLJDRGK-UHFFFAOYSA-N 389.484 3.733 0 40 GHAB CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3OC(F)F)cc2C1=O 6558182 XBCXHYWNSVWZKY-UHFFFAOYSA-N 388.370 3.936 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 6944981 NAWKRXQOMNKKON-QGZVFWFLSA-N 388.533 3.749 0 40 GHAB Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1C 7536367 FKDZWKQNDIOBJI-HNNXBMFYSA-N 392.546 3.673 0 40 GHAB COc1cc(OC)cc(-c2nnc(SCc3nnc(-c4ccccc4)o3)[nH]2)c1 7604798 BRJSTDVTTMXFME-UHFFFAOYSA-N 395.444 3.831 0 40 GHAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc2c1C 7735432 XYANJHMPDYJIFO-CYBMUJFWSA-N 380.400 3.697 0 40 GHAB C[C@@H](Sc1nnc(C2CC2)n1N)C(=O)Nc1ccc(Oc2ccccc2)cc1 8010636 DGTMUPQYVBTNIJ-CYBMUJFWSA-N 395.488 3.781 0 40 GHAB Cc1ccc(N(CCCC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 8040965 YMVFDNPBRRFXBA-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB COc1ccc(CN(C(=O)c2cccc(CN3CCCC3=O)c2)C2CC2)cc1 8165464 HHBNKHCRYJUUTE-UHFFFAOYSA-N 378.472 3.622 0 40 GHAB CCOc1cc(CNn2c(C)n[nH]c2=S)cc(Br)c1OCC 8253856 RAFRIGBFPCKUDL-UHFFFAOYSA-N 387.303 3.553 0 40 GHAB C[C@@H](NC(=O)CSc1nnnn1C1CCCC1)c1ccc2ccccc2c1 8389102 AWLBEWVNRQSXQI-CQSZACIVSA-N 381.505 3.911 0 40 GHAB O=C(c1cccs1)N(Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 8869734 QHFMCVGCCDJPDE-KRWDZBQOSA-N 385.510 3.731 0 40 GHAB O=C(c1cc2cc(Br)ccc2o1)N1CCN(c2ccccn2)CC1 9135222 SGQDXZSMVLAJFF-UHFFFAOYSA-N 386.249 3.553 0 40 GHAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1C(=O)CC2(CCCC2)C1=O 9513332 ZBZJESGUXTZKMI-MRXNPFEDSA-N 376.456 4.000 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1ccnn1C(C)C 9717653 OVQCONJZECOWSX-AWEZNQCLSA-N 382.420 3.611 0 40 GHAB COc1ccc(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)cn1 11557846 MNMLCQFFNJENCF-UHFFFAOYSA-N 388.427 3.878 0 40 GHAB COc1ccc([C@H](CC(=O)N[C@@H]2CCSc3ccccc32)NC(C)=O)cc1 11741772 NZPJJEKIQANFSZ-MOPGFXCFSA-N 384.501 3.616 0 40 GHAB O=C(NCc1cccnc1)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 12132252 IBCDRTDQWJEOOZ-UHFFFAOYSA-N 395.434 3.531 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCc2sccc2C1 12215963 LBVMIZWEFSWBHS-QGZVFWFLSA-N 376.909 3.741 0 40 GHAB COc1ccc([C@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3C2)cc1OC 12407513 GFHAFFBZMORLOE-BFYDXBDKSA-N 395.503 3.889 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1cccc(C(F)(F)F)c1 12745728 UNOMIYCAKCAODI-UHFFFAOYSA-N 376.378 3.691 0 40 GHAB CCOc1ccccc1NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 12775562 AAISOHMQPUQRPL-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)N[C@@H]1CCCc2ccccc21 12797487 LIEJHWVAFAYFQV-DENIHFKCSA-N 391.515 3.531 0 40 GHAB Cc1cc(NC(=O)[C@H](OC(=O)C2=Cc3ccccc3OC2)c2ccccc2)no1 12847010 JWDJMFJAHFGYMV-HXUWFJFHSA-N 390.395 3.682 0 40 GHAB Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccccc2C(C)(C)C)no1 12894923 HEVBBQWVUHFWOS-ZDUSSCGKSA-N 375.494 3.979 0 40 GHAB O=C(Cc1ccsc1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 12935230 XXDVOVTZQCFVNL-UHFFFAOYSA-N 385.514 3.889 0 40 GHAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)Oc2ccccc21 12989896 ZOOGPCJWKBOKRG-INIZCTEOSA-N 396.777 3.694 0 40 GHAB O=c1[nH]c(CSC2=NCCCN2)nc2scc(-c3ccc(Cl)cc3)c12 13042098 RROXCXAJXRBJQJ-UHFFFAOYSA-N 390.921 3.888 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@H]1CCSc2ccc(F)cc21 15200196 QYDPNBBNWRVPOQ-SFHVURJKSA-N 384.476 3.848 0 40 GHAB CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(Cc3ccccc3)c12 17299959 ZRHSKWHSTXROGA-UNOMPAQXSA-N 375.497 3.939 0 40 GHAB COc1cccc([C@@H](NC(=O)c2cc3c(F)cccc3[nH]2)c2nccn2C)c1 19291235 KPGBDBVFSPPEMM-LJQANCHMSA-N 378.407 3.569 0 40 GHAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1cc2cc(Cl)ccc2o1 19458502 IQFORJMMGXWITE-DZGCQCFKSA-N 397.862 3.707 0 40 GHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccn2)C1 19591617 JRDOIZBIZOHPNP-VWLOTQADSA-N 399.494 3.570 0 40 GHAB CNc1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)nc(-c2cccnc2)n1 19592157 IGKJNEUDRIXXEL-GOSISDBHSA-N 379.508 3.867 0 40 GHAB Cc1cc(C)c(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)c(C)c1 22387206 ZMOZEBBGZYXSBU-UHFFFAOYSA-N 394.924 3.978 0 40 GHAB CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1cc2c(cc1Cl)OCO2 22931792 GJLJSXFKTRYKIQ-GOSISDBHSA-N 387.911 3.950 0 40 GHAB O=C(Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)NC1CCCC1 23126762 SPNTZIPLAJXANX-UHFFFAOYSA-N 387.892 3.837 0 40 GHAB O=C(Nc1ccccc1NS(=O)(=O)c1cccs1)c1ccc(F)cc1 23172626 ZIBCRFHGNLDBNK-UHFFFAOYSA-N 376.434 3.940 0 40 GHAB Cc1nnc(COC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)o1 24048714 DEXFYMHINJARML-UHFFFAOYSA-N 377.404 3.728 0 40 GHAB Cc1oc2ncn(C)c(=O)c2c1C(=O)OCc1ccccc1Oc1ccccc1 24175795 LNXNRMPDEAYHBP-UHFFFAOYSA-N 390.395 3.984 0 40 GHAB Cc1cn([C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)n1 24777373 VKZMYLHJQAZKSV-CYBMUJFWSA-N 396.413 3.555 0 40 GHAB CC(=O)Nc1ccc(CNC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 29322503 PJWQGRBSNJCJNU-UHFFFAOYSA-N 379.382 3.706 0 40 GHAB O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 32362755 IRJLILOVKQMLIB-SFHVURJKSA-N 390.439 3.737 0 40 GHAB COc1ccc(OC)c(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1 32578595 NFVTUHSDPKRCJV-UHFFFAOYSA-N 397.431 3.895 0 40 GHAB COc1ccc(C(=O)Nc2c(C)nn(COc3cccc(F)c3)c2C)cc1OC 32610184 VNRCNYQVXOVLSO-UHFFFAOYSA-N 399.422 3.945 0 40 GHAB O=C(Cn1cnc2cc(F)ccc2c1=O)N(Cc1ccco1)C1=CCCCC1 32829542 SFYIPQMCIPPFPT-UHFFFAOYSA-N 381.407 3.615 0 40 GHAB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 32966743 RAFNPRMQXYRNEF-FQEVSTJZSA-N 391.471 3.791 0 40 GHAB C[C@@H](C(=O)Nc1cccc(Cl)c1)n1ncc(-c2ccc(Cl)cc2)nc1=O 33324646 NVPZTLBFJVJTBI-NSHDSACASA-N 389.242 3.812 0 40 GHAB Cn1nc(-c2cccs2)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 35293612 GUPVRVZVHQWJBK-UHFFFAOYSA-N 380.517 3.543 0 40 GHAB Cc1ccc(SCC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cc1 36396873 CBWCMXGWZPONHS-UHFFFAOYSA-N 396.556 3.827 0 40 GHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)COc1cccc2ccccc12 40052675 NJQKRSHRCYMSEW-INIZCTEOSA-N 397.496 3.842 0 40 GHAB O=C(CSc1ccccc1C(=O)N1CCCc2ccccc21)N1CCCC1 48343865 ZJIZTSMIHVPNFR-UHFFFAOYSA-N 380.513 3.994 0 40 GHAB Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2 48355265 GUMCLSHBDVKJOE-UHFFFAOYSA-N 384.501 3.567 0 40 GHAB CC(=O)c1cccc(NC(=O)COc2cc(C)nc(-c3ccc(C)cc3)n2)c1 49006888 JJZVEWLOKXVEAM-UHFFFAOYSA-N 375.428 3.981 0 40 GHAB O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)Nc1ccc2cn[nH]c2c1 49029724 MMGLGMDMBNKTGC-UHFFFAOYSA-N 384.852 3.993 0 40 GHAB CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)/C1=C/c1ccccc1 49601591 HXDZMNFJQNZXKW-QNGOZBTKSA-N 379.419 3.969 0 40 GHAB COc1ccc(CN[C@H](C(=O)NC(C)C)c2ccccc2)cc1OC(F)F 56144099 BSIMLKHZBACFAG-SFHVURJKSA-N 378.419 3.652 0 40 GHAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 57985565 JFZYVMCVFFLBQC-WFASDCNBSA-N 391.265 3.524 0 40 GHAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(Br)cc2Cl)c1 59373543 QQGIMCGJDZEOLV-UHFFFAOYSA-N 392.644 3.545 0 40 GHAB O=C(CN1CCCN(c2nccs2)CC1)Nc1cc(Cl)ccc1Cl 60099719 JYRIADLMZUZEPJ-UHFFFAOYSA-N 385.320 3.601 0 40 GHAB COc1cc(-c2ccccc2)sc1C(=O)OCc1cc(=O)n2ccsc2n1 64836186 IWDTZISAWFVGHJ-UHFFFAOYSA-N 398.465 3.850 0 40 GHAB O=C(Cn1cc(-c2ccccc2)c2ncn(C3CC3)c(=O)c21)Nc1ccccc1 65113382 QUBMCSMLTZUQOC-UHFFFAOYSA-N 384.439 3.839 0 40 GHAB O=c1c2cc(-c3ccc4c(c3)OCO4)nn2ccn1Cc1c(F)cccc1Cl 67260786 RTWCWTWGVQDMON-UHFFFAOYSA-N 397.793 3.733 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)cc1C 67322247 SQNXCYOXEVTJJB-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB O=C(NC[C@@H](O)c1cccc2ccccc12)C1(c2ccccc2)CCOCC1 70636055 OKSNUMRHEXELME-JOCHJYFZSA-N 375.468 3.738 0 40 GHAB COc1ccc2[nH]cc(CCNC(=O)C3(c4ccccc4)CCOCC3)c2c1 72325968 WMAXERHIRHGSAK-UHFFFAOYSA-N 378.472 3.584 0 40 GHAB biogenic Oc1cc(C2CCN(Cc3cc(F)cc(F)c3)CC2)nc(-c2ccccn2)n1 72392847 ZLVMXCAJFGRGCA-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB in-vitro COc1ccc(-c2cnn3c2NC(=O)[C@H]3CC(=O)Nc2ccc(Cl)cc2)cc1 72456281 IOWSTXDAIDNESG-QGZVFWFLSA-N 396.834 3.734 0 40 GHAB O=C(Cc1ccc2c(c1)OCCCO2)Nc1nc(-c2ccc(F)cc2)ns1 80344626 FUSFSKORXBXWKX-UHFFFAOYSA-N 385.420 3.687 0 40 GHAB CC(C)(C)OC(=O)N1Cc2nc(-c3ccccc3)ncc2[C@@H]1C(=O)N1CCCC1 91690287 HXYKTYQZYXZDKL-GOSISDBHSA-N 394.475 3.558 0 40 GHAB COC(=O)c1sc(NC(=O)NC[C@H](O)c2ccsc2)nc1C1CCCC1 95942337 ZRKIXKDHTHTGGD-LBPRGKRZSA-N 395.506 3.504 0 40 GHAB O=C(C[C@H]1NC(=O)c2ccccc21)N[C@H]1N=Nc2ccc(Br)cc21 96343493 RNLGCJWJPBHFKV-ZBFHGGJFSA-N 385.221 3.536 0 40 GHAB CC(C)(C)Cc1cc(NC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)n[nH]1 97117729 XKKRYNMCTWAJLT-UHFFFAOYSA-N 397.401 3.934 0 40 GHAB O=C(NC1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1)c1cccnc1 98212656 VDXJEBQVFSZDJK-UHFFFAOYSA-N 381.867 3.524 0 40 GHAB CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNC(=O)c4cnccn4)CC3)n2n1 100159304 UKGPFLFXOMREMY-IYBDPMFKSA-N 392.507 3.521 0 40 GHAB Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)CC2)cc1 102081754 YNAYHSXPRXUTNL-MHFLGDENSA-N 380.488 3.523 0 40 GHAB CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 104898342 XWIIZZNJNMVLTP-NQIIRXRSSA-N 394.515 3.556 0 40 GHAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 219293088 QBMKIHBOYWDDDG-UGSOOPFHSA-N 395.908 3.778 0 40 GHAB O=C(COc1ccc(I)cc1)NC1CCCCCCC1 219832872 FWUDMEBTMZIIIG-UHFFFAOYSA-N 387.261 3.899 0 40 GHAB CC[C@H](C(=O)Nc1ccccc1SC)N(c1cccc(C)c1)S(C)(=O)=O 220509873 KCUMSKNXLLIOTL-QGZVFWFLSA-N 392.546 3.900 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 223025733 GACSZEHPYNKELP-UXHICEINSA-N 379.485 3.961 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)cc1 224140505 AKFSMCMHWAYAJI-FQEVSTJZSA-N 396.531 3.872 0 40 GHAB CC[C@H](C(=O)NCC1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224308642 RTELXCXATNJYAO-QGZVFWFLSA-N 386.945 3.581 0 40 GHAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NC[C@H]3CCCO3)o2)cc1 224907232 LJIVMODIWUQNTQ-QGZVFWFLSA-N 378.428 3.926 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC 225079070 IXRFSXGYGQLGEE-LBPRGKRZSA-N 396.896 3.678 0 40 GHAB CC(C)n1c(=O)sc2cc(NS(=O)(=O)Cc3ccccc3F)ccc21 225154668 XAPFIMCFRUFYRS-UHFFFAOYSA-N 380.466 3.725 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 225380335 JPOKWCXJIMXFJD-RBUKOAKNSA-N 396.531 3.878 0 40 GHAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccccn1 225577495 RIYZXEFTKFCTQG-UYRXBGFRSA-N 377.469 3.539 0 40 GHAB CO[C@@H](CNC(=O)C(=O)Nc1ccccc1SC)c1ccc(Cl)s1 225708460 FJGXOSJFAOJSAB-NSHDSACASA-N 384.910 3.566 0 40 GHAB Cc1cc(C)c(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c(C)c1 225952661 HIDMFIUBTDUPHS-QGZVFWFLSA-N 394.924 3.884 0 40 GHAB O=C(Oc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccs1 227115781 XHGZYNLGRJNQFF-IHTFEARPSA-N 391.448 3.525 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1[C@@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@H]21 248256946 ORISSLNKJICDTB-QZWWMHCUSA-N 391.467 3.933 0 40 GHAB Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3O2)o1 257207281 BHBTVKSATJLZAR-WSYSLKOQSA-N 394.471 3.549 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)cc2)C1=O 409011663 OBUWKWYNUGSDCN-DWAVZPTGSA-N 377.462 3.852 0 40 GHAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)N4CC(O)C4)CCOCC3)cc2)c1 585164860 CKKZYPQYMCJZPX-UHFFFAOYSA-N 379.500 3.513 0 40 GHAB O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1c(F)ccc2ccncc12 613118824 WOEZOAFKPJFYTC-UHFFFAOYSA-N 379.435 3.583 0 40 GHAB CN1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1 1565542203 AZXQJCBFVPJKKW-QFIPXVFZSA-N 392.528 3.689 0 40 GHAB CCN1CC2(CCN(Cc3ncc(-c4ccccc4C)o3)CC2)[C@H]2COC[C@H]21 1615553933 UWXPNYOAXYJIKP-VQTJNVASSA-N 381.520 3.583 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1ccc(-n2cccn2)cc1 1888962477 OAOFZNFESAYXRK-LJQANCHMSA-N 399.878 3.533 0 40 GHAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2F)c1 71285242 FMBJRVPRJNRNMJ-HZPDHXFCSA-N 388.370 3.512 0 40 GHAB O=C(CCSc1nnnn1-c1ccccc1)Nc1cccc2ccccc12 645162 PODOHANMGXRCDW-UHFFFAOYSA-N 375.457 3.936 0 40 GHAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 790294 FTGZJZAYUHORBH-FQEVSTJZSA-N 394.446 3.797 0 40 GHAB NC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C2CC2)cc1 12531030 FNRRSIKGUOMMDS-UHFFFAOYSA-N 392.484 3.715 0 40 GHAB CCOC(=O)[C@H](CC)Sc1nnc(CNc2ccc(C)cc2C)n1CC 899208 ANQKYJQUCSPAQH-INIZCTEOSA-N 376.526 3.961 0 40 GHAB Cc1ccc(C2=NN(C(=O)c3cccc(C)c3O)[C@@](O)(C(F)(F)F)C2)cc1 910732 DFXCDYCGABHIFR-SFHVURJKSA-N 378.350 3.510 0 40 GHAB Cc1cccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c1C 916073 PKXIYYLUGGYTFV-UHFFFAOYSA-N 395.484 3.532 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1F)c1nccn1C 12550078 YPTTWNXNCWLZMD-UGSOOPFHSA-N 387.842 3.886 0 40 GHAB CCCN(C(=O)C(C)C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 1356572 WKXLJABBCUYTKV-UHFFFAOYSA-N 379.482 3.630 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 2953357 PGJRPHSEVGRWSX-CYBMUJFWSA-N 395.261 3.844 0 40 GHAB COc1cc(C)c(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1OC 24778665 PFDDLLUFSQKESA-OAHLLOKOSA-N 388.489 3.707 0 40 GHAB Cc1cccc(NC(=O)COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 4893937 WHDXWUHZCJDDPY-UHFFFAOYSA-N 391.349 3.545 0 40 GHAB NC(=O)C1CCN(C(=S)c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1 7098735 ZATPJUQOOFTHEC-UHFFFAOYSA-N 395.503 3.702 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)o2)c1C 7195377 SVWYQWHVISYMRL-NSHDSACASA-N 389.433 3.733 0 40 GHAB O=C(Nc1ccc(N2CCCC2)c(F)c1)[C@H]1CC(=O)N(c2ccccc2F)C1 55777189 LHYCKWRFNOPYHT-AWEZNQCLSA-N 385.414 3.557 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OCC 3293000 CSGOAXVDJVVQTD-UHFFFAOYSA-N 387.432 3.671 0 40 GHAB CCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 8085996 YLAGLTQQOGXMIZ-UHFFFAOYSA-N 388.533 3.897 0 40 GHAB Cc1nc(-c2ccc(OS(=O)(=O)c3ccc(C)c4ncccc34)cc2)no1 48237676 DKCIIZQBQRHQMS-UHFFFAOYSA-N 381.413 3.669 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2ccccc2Br)c(OC)c1 57312877 GASRGVQPMWHMEQ-UHFFFAOYSA-N 395.278 3.593 0 40 GHAB CCOc1c(Cl)cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1OC 12783787 XQPUPANYSUGIPX-UHFFFAOYSA-N 377.824 3.748 0 40 GHAB Cc1cccc(OCCNC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 12763397 YOLVXHUNWCPHPX-UHFFFAOYSA-N 377.400 3.908 0 40 GHAB CCOC(=O)c1cc2cc(NC(=O)NCc3ccnc(N(C)C)c3)ccc2s1 58003698 JPALIKXOJZSFJY-UHFFFAOYSA-N 398.488 3.861 0 40 GHAB CCCCOCCCNC(=O)CNC(=O)c1sc2ccccc2c1Cl 10030893 AMEUUZOOOUUYHW-UHFFFAOYSA-N 382.913 3.608 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 12793053 BCCPLWGCJAKGOT-QFIPXVFZSA-N 394.496 3.907 0 40 GHAB Cc1ccc(C)c(SCC(=O)OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 108869117 IGIORBKYTVMXGL-XLAORIBOSA-N 375.534 3.880 0 40 GHAB CN(C)[C@@H](CNCc1cc(Br)c2c(c1)OCO2)c1cccc(F)c1 58171956 MNHYZZGTKYUNEV-INIZCTEOSA-N 395.272 3.709 0 40 GHAB Cc1ncc(CN(C)C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)s1 58282141 YBNPSRPYCDXHPB-ZDUSSCGKSA-N 398.492 3.512 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 3372262 SAKNDLVLMIMLHX-HNNXBMFYSA-N 397.500 3.531 0 40 GHAB CN(Cc1ccsc1)C(=O)c1ccccc1NS(=O)(=O)c1cccs1 28441013 BRAKLQFILOSKIW-UHFFFAOYSA-N 392.527 3.883 0 40 GHAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1C 12880702 VKWAVSAGYKECQI-KRWDZBQOSA-N 385.489 3.648 0 40 GHAB COc1ccccc1NC1=NN=C(c2cccc(N3CCCC3=O)c2)CS1 11118698 FTZNSTGFZGBUSG-UHFFFAOYSA-N 380.473 3.741 0 40 GHAB CC1=C(O)N2C(=NN1)C(n1nc(C)cc1C)=Nc1cc(Cl)c(Cl)cc12 101121289 AWULGGCIDRUHER-UHFFFAOYSA-N 377.235 3.869 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)N2CC[C@H](C)Sc3ccccc32)CC1=O 24584978 UITSIKAGNCLSAZ-HOTGVXAUSA-N 396.512 3.966 0 40 GHAB O=C(CCc1nc2ccccc2[nH]1)NCc1ccc(NC(=O)c2ccco2)cc1 11362002 OUOXGNMSNLRKOB-UHFFFAOYSA-N 388.427 3.657 0 40 GHAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc2ccc(F)cc2nc1C 29236461 RIKQYVIUUCBFAD-UHFFFAOYSA-N 395.434 3.792 0 40 GHAB O=C(/C=C/c1c(F)cccc1Cl)NC[C@H](c1cccs1)N1CCOCC1 29844231 UFURNJNPICPRDZ-DKRLNXSXSA-N 394.899 3.744 0 40 GHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)N1[C@@H](C)CCC[C@H]1C 29975630 BVYJUTMEMDGTAD-OKILXGFUSA-N 394.537 3.987 0 40 GHAB NC(=O)Cc1ccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1 24487379 DXSVKKWLWPZDNJ-UHFFFAOYSA-N 378.403 3.685 0 40 GHAB NC(=O)c1ccc(C(=O)/N=c2/sccn2Cc2cccc3ccccc23)cc1 61073773 CWWUPJDOPREYKA-ZNTNEXAZSA-N 387.464 3.591 0 40 GHAB Cc1cccc(OC[C@@H](O)CSc2nnc(NCc3ccco3)s2)c1 12994058 NXZFXACUVUABCP-CYBMUJFWSA-N 377.491 3.584 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1 12901383 JWWIUSQGPBQSHT-UHFFFAOYSA-N 398.488 3.851 0 40 GHAB O=C(CCNc1ncccn1)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 63094536 JIZFUZUZBKLTGL-UHFFFAOYSA-N 390.422 3.524 0 40 GHAB O=S(=O)(/N=c1\[nH]c2ccc(F)cc2s1)c1ccccc1C(F)(F)F 13101830 UVHSOUAIXIXZJE-UHFFFAOYSA-N 376.356 3.677 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(F)cc2)c1C 9237697 ZSSDXDXWRCEOAU-QZTJIDSGSA-N 397.479 3.740 0 40 GHAB CCCc1nc(-n2cccc2)sc1C(=O)NCCc1ccc(OC)c(OC)c1 49549841 BERVIZSOVKHJBX-UHFFFAOYSA-N 399.516 3.876 0 40 GHAB Cc1c(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 6184194 UKPPWXHRVYWCMF-HXUWFJFHSA-N 399.903 3.916 0 40 GHAB C[C@H](Sc1nccn1-c1cccc(F)c1)C(=O)Nc1ccc2c(c1)OCCO2 5174762 VFJYMOOJXDKFAL-ZDUSSCGKSA-N 399.447 3.902 0 40 GHAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc(C(=O)Nc3ccccc3)cc1)C2=O 4308729 QJJYQTYBOAKKQH-MWTRTKDXSA-N 391.471 3.940 0 40 GHAB CCC(CC)NC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944780 QPYLHWQZQVMWFW-AWEZNQCLSA-N 375.900 3.517 0 40 GHAB Clc1ccccc1OCc1cccc(-c2nc3c4cn[nH]c4ncn3n2)c1 6402756 YZUBZSWWXGFLBE-UHFFFAOYSA-N 376.807 3.900 0 40 GHAB O=C(Nc1cccc(OCc2cccc(F)c2)c1)N[C@@H]1CCc2[nH]ncc2C1 84372517 SLQKHAYHEQWJGA-GOSISDBHSA-N 380.423 3.807 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C(C)C)cc1 4736102 URZUIKPQABFEHT-UHFFFAOYSA-N 399.476 3.808 0 40 GHAB CCN(C(=O)[C@H](C)OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 7197891 LZYFBFAMDRQIOQ-UWJYYQICSA-N 397.471 3.843 0 40 GHAB c1ccc(-n2ncc3c(NC4CCN(CC5CCCC5)CC4)ncnc32)cc1 95385798 UCSUGWUZSXCZSW-UHFFFAOYSA-N 376.508 3.882 0 40 GHAB CCCN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1nnc(-c2ccco2)o1 8243450 UATCPPBWSMBQFS-SFHVURJKSA-N 394.475 3.735 0 40 GHAB O=C1c2ccccc2[C@H]2N1c1ccccc1-c1nc(=O)c(-c3cccs3)nn12 69701113 VMIYSNGLHPCYLP-FQEVSTJZSA-N 384.420 3.555 0 40 GHAB O=C(CC1CCCC1)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 96544266 BXDAWCMLUSCDAX-LFIBNONCSA-N 376.453 3.559 0 40 GHAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCCN(CC2CCCCC2)CC1 69970339 YLWMNHPBGCNESE-UHFFFAOYSA-N 378.900 3.797 0 40 GHAB C[C@@H](Sc1nnc(Cc2ccccc2F)n1N)c1nnc(-c2ccccc2)o1 8754662 XONHSCOLNMEZHM-GFCCVEGCSA-N 396.451 3.625 0 40 GHAB CC(=O)c1c(C)nc(C)nc1SCC(=O)N(C)[C@@H]1CCCc2ccccc21 84019630 CTKFHBQDVVAPAE-GOSISDBHSA-N 383.517 3.924 0 40 GHAB CC(C)(C)[C@H](NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1cc2ccccc2o1 95996273 FBSJFDYPOXRBOK-XQBPLPMBSA-N 386.536 3.847 0 40 GHAB Cc1nc2sc([C@@H](c3ccccc3Cl)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 22626764 IQSWARWUUVMLHU-UEKVPHQBSA-N 392.912 3.657 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)C1CN(c2nc3c(F)cccc3s2)C1 62023142 JQSJFDQHXVXVGS-UHFFFAOYSA-N 394.475 3.712 0 40 GHAB Cc1ccc(C(=O)N2CC[C@]3(C2)Cn2c(-c4ccccc4)cnc2CO3)s1 306125292 CLMQGKNCXCJHAZ-NRFANRHFSA-N 379.485 3.735 0 40 GHAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 30756112 TVMNZHMIRCCKJH-SJORKVTESA-N 394.581 3.955 0 40 GHAB CN1CCN(Cc2ccccn2)C[C@@H]1c1ncn2cc(-c3ccccc3)ccc12 306134817 NYRZQSKEQNLCMT-HSZRJFAPSA-N 383.499 3.885 0 40 GHAB COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C(C)(C)C)cc3n2)cc1 408627130 KMKXAKNMDFSHNH-UHFFFAOYSA-N 397.504 3.597 0 40 GHAB CC(C)COC(=O)NCC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 408999759 RSRVCQMYXABGJB-UHFFFAOYSA-N 375.465 3.842 0 40 GHAB COc1ccccc1-c1c(C)oc2cc(OC(=O)N3CCOCC3)ccc2c1=O 631354 QWBBRNHOYRVYTJ-UHFFFAOYSA-N 395.411 3.608 0 40 GHAB biogenic O=C(CCc1cc(Cl)no1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 524730872 AFMZJUSEMFTZBH-STHPQGGCSA-N 389.927 3.682 0 40 GHAB biogenic Cc1cccc([C@@H](C)C(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1 529890179 KXRFTJHYGHLKDG-QGZVFWFLSA-N 397.519 3.857 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 30322366 HESBIEMIZNFZEC-KRWDZBQOSA-N 381.881 3.883 0 40 GHAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1F 32753901 WKSWBDASAXNBMD-UHFFFAOYSA-N 376.431 3.886 0 40 GHAB Fc1ccccc1-c1ccccc1CN1CCn2c(nnc2C2CCNCC2)C1 72372123 QILCCCZQLKTDIF-UHFFFAOYSA-N 391.494 3.567 0 40 GHAB O=C(COc1ccccc1F)Nc1ccc(-c2nc3cnccc3o2)c(O)c1 32091851 FEFQTFWZENQVIU-UHFFFAOYSA-N 379.347 3.752 0 40 GHAB Cn1nccc1[C@H]1C[C@H](Nc2ncc3scc(Br)c3n2)CCO1 566483048 SSJWJGQUGPAMQQ-BXKDBHETSA-N 394.298 3.520 0 40 GHAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 41077051 USEIWOTZGFMREQ-UHFFFAOYSA-N 393.443 3.743 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C 225420236 ADISXMHSPIMJEG-VQTJNVASSA-N 396.531 3.748 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 223423980 BRAKRZFHDBMXIQ-GOSISDBHSA-N 382.504 3.571 0 40 GHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSc1ccc(C)cc1 224050904 WZDGRXAGAPBHRK-GOSISDBHSA-N 384.545 3.683 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220451822 JGIHBNSUTMVGDB-CYBMUJFWSA-N 396.459 3.881 0 40 GHAB CSc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1NC(C)=O 223858117 PNMHFBVDVKAACG-UHFFFAOYSA-N 392.546 3.667 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 224543306 KDWNKLLWQZQFLU-QFIPXVFZSA-N 396.531 3.798 0 40 GHAB CCN(Cc1ccc(C(=O)NCC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 224452506 FSXBTRVYQGPXRC-UHFFFAOYSA-N 388.533 3.592 0 40 GHAB CCc1ccc(N([C@@H](C)C(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1 220272510 LJFBTQSUWGIAKH-AWEZNQCLSA-N 392.546 3.764 0 40 GHAB CC[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 220020149 GQXFYJHLWBHDGU-GOSISDBHSA-N 379.909 3.944 0 40 GHAB COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCc2ccco2)c2ccccc2)cc1 223542350 IJWDQVAWCMVHOA-JOCHJYFZSA-N 392.455 3.694 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1Br 41091693 MBAJKYBKJGIAMV-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB COc1ccc(NC(=S)NCc2nc(-c3ccc(C)cc3)no2)cc1OC 225816168 KCTUQMYMKVORHT-UHFFFAOYSA-N 384.461 3.549 0 40 GHAB CCN(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 225933614 JZCWGGXOFCYEDJ-UHFFFAOYSA-N 394.924 3.915 0 40 GHAB Cc1ccc(CNC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)c2ccccc12 576606199 XJFKQQNWYFRPDJ-LEWJYISDSA-N 378.476 3.520 0 40 GHAB COC(C)(C)C(=O)N1CC[C@@H](c2c(C(=O)NC(C)C)sc3ccccc23)C1 257251893 JSSLBJMEPIOGIF-CQSZACIVSA-N 388.533 3.780 0 40 GHAB COc1ccc(-c2cncc(C(=O)N3CCC(c4ncc[nH]4)CC3)c2)c(C)c1 624938837 XMCWRUPNHGWLTF-UHFFFAOYSA-N 376.460 3.809 0 40 GHAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCc3nc[nH]c3C2)cs1 625435746 KEKAMQXEIIDAEN-UHFFFAOYSA-N 381.505 3.726 0 40 GHAB Cc1cc(Oc2ccc(NC(=O)CCc3nc(O)c4ccccc4n3)cc2)n[nH]1 675280012 AVPIVFUEHNKFNL-UHFFFAOYSA-N 389.415 3.731 0 40 GHAB CC(=O)N1CCC[C@H](NCc2cccc(F)c2F)[C@@H]1Cc1ccc(F)cc1 585286939 YHNKWMLFDBJJPE-PMACEKPBSA-N 376.422 3.816 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)COc2ccc(N3CCCC3=O)cc2)o1 53194404 JQERDWBQBMYWCA-DNVCBOLYSA-N 382.460 3.567 0 40 GHAB COCCCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2C)c1C 5864288 QKBCBOUIMMZQSX-UHFFFAOYSA-N 388.493 3.505 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1C 11075849 GKPVJCPLEVSJPW-UHFFFAOYSA-N 377.444 3.829 0 40 GHAB Cc1ccccc1[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCCC2)c1ccncc1 12148512 DFEAHEBEZDARGG-QFIPXVFZSA-N 387.483 3.867 0 40 GHAB COc1ccc([C@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1 12292477 SBNWZUGLFDAPCK-LJQANCHMSA-N 395.421 3.731 0 40 GHAB COc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1OC 13012319 CSWXJRGDQBMTEH-UHFFFAOYSA-N 398.488 3.962 0 40 GHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1sc(-c2ccc(F)cc2)nc1C 15607227 RWSJWTGGYZOPKG-KRWDZBQOSA-N 398.459 3.772 0 40 GHAB COc1ccccc1C(=O)OCc1cc(=O)n2c(-c3ccccc3)csc2n1 15734239 QFDAVDPZVJXCGP-UHFFFAOYSA-N 392.436 3.789 0 40 GHAB CCCc1nnc(SCC(=O)Nc2ccccc2Cl)n1C[C@H]1CCCO1 15935385 NSIJSCJHZSOSCQ-CYBMUJFWSA-N 394.928 3.794 0 40 GHAB Cc1ccc([C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cc1 19136126 GWIBRNVPNKFWLL-UTKZUKDTSA-N 378.520 3.630 0 40 GHAB C/C(=C\c1ccccc1)CN1CCC(c2nc(C)c3c(n2)N(C)C(=O)CC3)CC1 19739496 QWDOGJCFCBUWEV-BMRADRMJSA-N 390.531 3.977 0 40 GHAB CC[C@@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 19947454 TUUTVGRXQQZCNA-GOSISDBHSA-N 388.533 3.722 0 40 GHAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccc(C(F)(F)F)c1 19982422 XKCAPTNSLHTNKI-UHFFFAOYSA-N 384.741 3.723 0 40 GHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O 205669891 AOIOCYXKLIXPMU-OQLLNIDSSA-N 375.377 3.685 0 40 GHAB Cc1ccc(-c2ccc(C(=O)O)o2)c(NS(=O)(=O)c2ccc(F)cc2)c1 226353571 WCKRZUDNOUUMET-UHFFFAOYSA-N 375.377 3.893 0 40 GHAB CO[C@H](C(=O)N(c1cc2c(cc1Cl)OCO2)C1CCCCC1)[C@H]1CCOC1 622834090 ZFKHKJHNYQFFAP-DJJJIMSYSA-N 395.883 3.786 0 40 GHAB COCC(=O)N1CCc2sccc2[C@@H]1c1ccc(NC(=O)c2ccco2)cc1 12188771 XJNORDHLNHYKPJ-FQEVSTJZSA-N 396.468 3.714 0 40 GHAB COc1cccc(C2=Nn3c(COc4ccc(Cl)cc4)nnc3SC2)c1 5144415 HXGLCTWZLUZUKA-UHFFFAOYSA-N 386.864 3.877 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)NC2CCCC2)cc1 6915613 SVSVUFFUFSUYOG-MRXNPFEDSA-N 379.456 3.830 0 40 GHAB Cc1ccccc1-c1cc2c(=O)n(C[C@H](O)c3ccc(Cl)cc3)ccn2n1 1889083303 MLZYAADLSJXBHX-FQEVSTJZSA-N 379.847 3.858 0 40 GHAB Ic1ccccc1-c1nc2cc3c(cc2[nH]1)OCCO3 37400498 KPUBZAVUSRCGHJ-UHFFFAOYSA-N 378.169 3.606 0 40 GHAB O=C1C[C@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 4142425 XVNWHYCHGXRDLO-DZJNRPSUSA-N 385.341 3.665 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)C(C)(C)C)scc12 4121242 DUSZAMYYCJUGEU-UHFFFAOYSA-N 399.472 3.609 0 40 GHAB Cc1ccc(C(=O)Nc2c(N)nc(SCc3cccc(C)c3)[nH]c2=O)cc1 5081786 PTJOLCVBMCBLIL-UHFFFAOYSA-N 380.473 3.514 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1nc(-c2ccncc2)cs1 6969587 ZDBGSNLEISBXQR-UHFFFAOYSA-N 390.262 3.985 0 40 GHAB Cc1cc(S(=O)(=O)[C@H](CNC(=O)C(C)(C)C)c2cccs2)ccc1F 8768816 DMQIXFICZKIYCG-MRXNPFEDSA-N 383.510 3.873 0 40 GHAB Cc1ccc(-n2ccnc(SCC(=O)Nc3ccc(F)cc3F)c2=O)cc1 9320450 ANQDHSVTUCSOCH-UHFFFAOYSA-N 387.411 3.550 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)NCc2cc(-c3ccsc3)cs2)c1 1775969620 CPQWLDJUJGEVFS-UHFFFAOYSA-N 395.527 3.972 0 40 GHAB O=C(Cc1cccc2ccccc12)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38725970 QYAKSBAZODUTRA-ZEQRLZLVSA-N 398.506 3.857 0 40 GHAB COc1cc(NC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc(OC)c1 38709587 BEHZBLCEIJPQJF-UHFFFAOYSA-N 383.448 3.513 0 40 GHAB O=C(c1cc2ccccc2s1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225790994 CJQQEXJNJQIOCB-UHFFFAOYSA-N 378.501 3.533 0 40 GHAB COC(=O)[C@@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1 6757099 UGOZAAOAVYHEKY-GFCCVEGCSA-N 391.402 3.814 0 40 GHAB COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)N[C@]23C(=O)Nc2ccccc23)cc1 9044938 HXEBBNTUZKJLOZ-ICPLQIHGSA-N 393.487 3.506 0 40 GHAB biogenic Cc1c(NC(=O)NC[C@@H]2CCCc3ccccc32)c(=O)n(-c2ccccc2)n1C 40094852 DXUWLXWHWYIDNV-SFHVURJKSA-N 390.487 3.726 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(OCc2nccn2C)cc1 40119559 SXISPXWUPAUANK-UHFFFAOYSA-N 392.484 3.881 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3c(C)cc(Br)cc3Cl)nc2n1 40134649 YDKGKEPODIILFX-UHFFFAOYSA-N 394.660 3.718 0 40 GHAB Cc1noc2ncc(C(=O)NCCSc3ccc(Br)cc3)cc12 31398806 KSJOGWRPJIQGGR-UHFFFAOYSA-N 392.278 3.816 0 40 GHAB Cc1cc(N2CCN(C(=O)COc3ccccc3C(C)C)CC2)nc(C(C)C)n1 31493690 HLIWGLPSLVWSPX-UHFFFAOYSA-N 396.535 3.759 0 40 GHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC(C)C)C12CCCCC2 20745528 XBHNPDZYNVUGBK-HXUWFJFHSA-N 386.536 3.738 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)nc1 32817104 ZDRGZKAYVISYED-UHFFFAOYSA-N 385.420 3.615 0 40 GHAB CCC[C@H](NC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1)c1ccccc1 32926800 QZLSUFXNIOQRLG-FQEVSTJZSA-N 389.455 3.898 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cn1 33095782 VWOBCTKNUUQNIR-MRXNPFEDSA-N 378.259 3.940 0 40 GHAB COC(=O)c1cc(CN(C)C(=O)c2occc2COc2ccccc2)oc1C 22278534 JUBADVKRGXPYKK-UHFFFAOYSA-N 383.400 3.819 0 40 GHAB C[C@H](c1nnc(SCC(=O)OC(C)(C)C)n1-c1ccc(Cl)cc1)N(C)C 22718681 JKDBSOQNDUWISD-GFCCVEGCSA-N 396.944 3.977 0 40 GHAB COc1cc(NC(=O)c2ccc(Br)cc2)c(OC)cc1NC(C)=O 704444 XQVPNCFCFDZBGL-UHFFFAOYSA-N 393.237 3.677 0 40 GHAB COc1ccc(OC)c(NC(=O)COc2ccc(C)cc2Br)c1 723689 VZSCUVBUFUFPCD-UHFFFAOYSA-N 380.238 3.792 0 40 GHAB COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2ccccc2OC)c1C 871961 LZMGUTFJYKYWKN-UHFFFAOYSA-N 390.461 3.699 0 40 GHAB CCN1C[C@H](CN(C)CC(=O)Nc2cccc(SC)c2)Oc2ccccc21 12557915 RQWADQSSHZETAG-KRWDZBQOSA-N 385.533 3.566 0 40 GHAB CCn1ncc(CN(C)C(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c1C 2779100 VHQFDRAJBVPYNL-NSHDSACASA-N 391.825 3.608 0 40 GHAB CC(=O)Nc1cccc(-n2cnnc2SCc2nc(-c3ccccc3)no2)c1 12538702 DSDLGVQCGHRETG-UHFFFAOYSA-N 392.444 3.568 0 40 GHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 105699268 YGPYPLBLTBVAPJ-OXMIBSBGSA-N 378.463 3.660 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2nccs2)c1 12526284 NYUDRVIRMDBYLG-UHFFFAOYSA-N 387.486 3.813 0 40 GHAB COCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccco1 4861147 YXHIZEVVPQICGU-UHFFFAOYSA-N 377.853 3.813 0 40 GHAB Cc1cc(C)cc(OCC(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)c1 6415088 WNSAYOZYYDVARF-UHFFFAOYSA-N 397.500 3.767 0 40 GHAB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 6650134 CLOGQYHCUQXHPF-JYRVWZFOSA-N 398.824 3.628 0 40 GHAB CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 7724265 QHKCOCXUCXXJPO-UHFFFAOYSA-N 386.517 3.984 0 40 GHAB COC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccccc3OC)C2=O)cc1 59457384 UDGFXHNBGJTMMI-GZTJUZNOSA-N 398.440 3.588 0 40 GHAB COc1ccccc1OCCC(=O)OCC(=O)Nc1cc(Cl)ccc1C 3261900 JFJZCHPKMBWZGC-UHFFFAOYSA-N 377.824 3.608 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)Cc1ccc(F)cc1 25368620 LAHKSEAXYJAHII-UHFFFAOYSA-N 387.480 3.590 0 40 GHAB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cc(C)cc(C)c1 8417407 DJKRGZZKANMQKW-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB COc1cccc(N2CCN([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)c1 57024668 VYIOCSIFEGZEKW-LJQANCHMSA-N 381.520 3.770 0 40 GHAB O=C(CCn1c(S)nnc1-c1cccs1)N[C@H]1CCCc2ccccc21 12696828 BSCGVWZSNGFKLR-HNNXBMFYSA-N 384.530 3.879 0 40 GHAB COc1ccc2c(c1)c(C(=O)CN1CCN(c3ccccc3)CC1)c(C)n2C 36003866 JBDYXBKYNGMZKD-UHFFFAOYSA-N 377.488 3.500 0 40 GHAB CCOCCO[C@H](C)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 58357790 WVQIIFVFNJXXDI-GFCCVEGCSA-N 386.279 3.618 0 40 GHAB CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)N1CCCc2ccccc21 51316160 HGUWFEPZJQHXPU-UHFFFAOYSA-N 378.472 3.689 0 40 GHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccc1)c1ccc(-n2cnnn2)cc1 58356663 YGKHABUFXAFVRO-UHFFFAOYSA-N 398.348 3.724 0 40 GHAB Cc1ccnn1-c1ccc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1 27954351 KEZDARGYRJZMHF-UHFFFAOYSA-N 389.455 3.774 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N1CCC(C)CC1 3363396 GMGTWUQYKBREJL-UHFFFAOYSA-N 376.840 3.719 0 40 GHAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2C1=O 2352167 ZJGGIFYVCNFIRW-INIZCTEOSA-N 384.435 3.577 0 40 GHAB Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC(C)CC3)c(O)n2n1 22626190 KKFIOOCFRZAMTO-HNNXBMFYSA-N 378.448 3.904 0 40 GHAB COc1ccc(OC)c(NC(=O)CS[C@H]2CCc3ccccc3N=C2O)c1 11865841 AKRJPWSBMPFKKA-SFHVURJKSA-N 386.473 3.979 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3C)C2)s1 12808466 LYISFCUZACLUGY-MRXNPFEDSA-N 392.546 3.713 0 40 GHAB Cc1ccccc1OCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 2658437 JJVFMWQUCJARGF-UHFFFAOYSA-N 376.460 3.997 0 40 GHAB CCN(c1ccc(-c2csc(Cc3csc(C)n3)n2)cc1)S(C)(=O)=O 46814891 ZDXLUSGJNBXKIP-UHFFFAOYSA-N 393.559 3.952 0 40 GHAB O=C(COc1ccc(-c2cc3ccccc3oc2=O)cc1)NCc1cccnc1 12325086 HHUOSPNSSCKJBK-UHFFFAOYSA-N 386.407 3.550 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 10964165 ATXNBYAFUYUPLK-MRXNPFEDSA-N 379.478 3.505 0 40 GHAB Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 10968534 VOAWWVNQKUOATF-CABCVRRESA-N 377.531 3.757 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1 9237252 ZENZXYLKEJSZTK-OALUTQOASA-N 393.516 3.910 0 40 GHAB Cc1cccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(F)cc2)c1C 9237696 ZSSDXDXWRCEOAU-MSOLQXFVSA-N 397.479 3.740 0 40 GHAB COC(=O)c1ccc(OC(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)cc1 13141553 KZWWBOHYDQTTGK-RUDMXATFSA-N 376.792 3.763 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1ccc(N2C(=O)c3cccnc3C2=O)cc1 408721858 MDYJIIWQQHOLSE-UHFFFAOYSA-N 377.787 3.788 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@H]23)C1 4044685 SBBCQMGYCCNVDO-NOEHVLKNSA-N 389.536 3.720 0 40 GHAB biogenic COC(=O)c1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)s2)o1 26532620 IQESWKRKRXKMDY-AWEZNQCLSA-N 390.442 3.723 0 40 GHAB CCn1cc(C(=O)Nc2cccc3ncccc23)c(=O)c2cc3c(cc21)OCO3 13728222 VPRCIRIKMUZKJG-UHFFFAOYSA-N 387.395 3.551 0 40 GHAB Cc1ccccc1-c1cc(NC(=O)c2cccc[n+]2[O-])n(Cc2ccccc2)n1 65475716 CINIWPXLNBXGQW-UHFFFAOYSA-N 384.439 3.793 0 40 GHAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1cccc(F)c1)CCS3 5483855 ICUWMXJBVWSRKH-UHFFFAOYSA-N 381.432 3.653 0 40 GHAB Cc1cccc(C(=O)N[C@@H](C)C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1 6553412 WBQVLTHNMNYCEN-KXBFYZLASA-N 378.476 3.503 0 40 GHAB COC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 4672553 KSELWZQQVOBUKP-FQEVSTJZSA-N 396.487 3.835 0 40 GHAB NC(=O)N[C@@H](CC(=O)NCc1ccccc1)c1cccc(Oc2ccccc2)c1 6602775 PFWIFNBOHPDEHA-NRFANRHFSA-N 389.455 3.895 0 40 GHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2CN(Cc3ccccn3)C[C@@H]21 306130784 JPHWQYBFLPDZDM-QUCCMNQESA-N 382.510 3.565 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)S2 6811766 UECVJNKRKKJIRA-SJORKVTESA-N 399.907 3.892 0 40 GHAB CC(C)n1cnc([C@@H]2CN(Cc3cccs3)C[C@]23CCN(CC2CC2)C3=O)c1 306124227 BJVXEPXYYFNYCE-SIKLNZKXSA-N 398.576 3.754 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1cccnc1 15436364 VHXLUOICEUGLEQ-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB CC(C)[C@H]1C[C@@](CC(=O)NCCN(C)C)(Cc2ccccc2Cl)CCO1 9530760 STCBWTICJFUEFQ-CTNGQTDRSA-N 380.960 3.772 0 40 GHAB COc1cccc([C@]2(C)NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1 9584424 LOEWVQOOCBZOBV-SFHVURJKSA-N 379.243 3.969 0 40 GHAB COc1ccc(C)cc1NC(=O)COC(=O)c1c(C)nn(-c2ccccc2)c1C 7477839 VYBWRKMYTGCDDD-UHFFFAOYSA-N 393.443 3.602 0 40 GHAB COc1ccccc1[C@H]1CCCN1C(=O)C[C@@H]1Sc2ccccc2NC1=O 68814376 IOYJWGIXLCUETE-APWZRJJASA-N 382.485 3.862 0 40 GHAB CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 8164320 ANJVSDFSOATSGD-UHFFFAOYSA-N 392.565 3.613 0 40 GHAB O=C(CSc1nnc2ccccn12)N[C@@H](c1ccc(F)cc1)c1cccs1 8156732 YDEYZOCLFMUAAA-SFHVURJKSA-N 398.488 3.928 0 40 GHAB Cc1ccc(-c2cc3c(SCC(=O)NCc4ccco4)nccn3n2)cc1 17051525 WSLWOFPSBBNMSS-UHFFFAOYSA-N 378.457 3.706 0 40 GHAB O=C(NC1CCCCCC1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 8519159 VVKAYAZZLAPYKM-XDJHFCHBSA-N 377.448 3.770 0 40 GHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1cc(Cl)ccc1F 8884571 YWUICRSNHAFEAB-ZDUSSCGKSA-N 387.846 3.691 0 40 GHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 9906023 PAMZSDWURYAIMB-CVEARBPZSA-N 383.879 3.781 0 40 GHAB O=C1C[C@@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)N2NC=NC2=N1 409377479 IQVIQRGABAQRQX-HNNXBMFYSA-N 389.242 3.748 0 40 GHAB CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 27663971 JFSUGJQUEDGOTI-QYZOEREBSA-N 393.524 3.580 0 40 GHAB COc1ccc(-c2n[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1OC 64875510 YVEXKWVJTXKLLH-UHFFFAOYSA-N 388.468 3.603 0 40 GHAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc(OC(F)(F)F)c1 24368099 AUCRJHNQTLMBPR-LLVKDONJSA-N 375.368 3.633 0 40 GHAB Cc1cn2cc(CC(=O)N[C@H](CCO)c3cc(Cl)cc(Cl)c3)nc2s1 1557821442 KTERKIVJUCNZKQ-OAHLLOKOSA-N 398.315 3.793 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c(Cl)c1 30753303 KCPUAHHOUFZLPT-GFCCVEGCSA-N 377.824 3.931 0 40 GHAB CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1cnnc2ccccc12 528870800 OFJRTISZSKHERV-UHFFFAOYSA-N 390.365 3.631 0 40 GHAB Cn1ncc2c1C[C@H](C(=O)Nc1cccc(Cc3nc4ccccc4[nH]3)c1)CC2 563016247 FZIAQTCXBGGRSX-MRXNPFEDSA-N 385.471 3.631 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 223233643 CZCAHTAAGKJSNF-IBGZPJMESA-N 390.886 3.965 0 40 GHAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224385853 BENIYCOTARLUOI-UHFFFAOYSA-N 392.908 3.542 0 40 GHAB COc1ccc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(OC)c1OC 224988239 UPPJVLMLHQOANG-UHFFFAOYSA-N 393.867 3.840 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 222782477 IFYLHQZBINOTEI-UHFFFAOYSA-N 394.518 3.812 0 40 GHAB Cc1ccccc1CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C 224516095 QUQUWJVBQZBEAS-HXUWFJFHSA-N 380.532 3.770 0 40 GHAB Cc1noc(C)c1CC(=O)Nc1nc(-c2ccc3c(c2)OCCCO3)cs1 96118352 DTTYMIVLSRPRBR-UHFFFAOYSA-N 385.445 3.757 0 40 GHAB CCNC(=O)C[C@H]1CCCCN1C(=O)c1[nH]c(-c2cccc(Cl)c2)nc1C 585082192 YZLOMDROVFHXEN-MRXNPFEDSA-N 388.899 3.559 0 40 GHAB CCc1oc(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)cc1C(=O)O 585080769 HRBQWBRMMRKTTO-FQEVSTJZSA-N 398.503 3.743 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)n1 257242310 IBWRQMSEDIVARX-IBGZPJMESA-N 382.439 3.582 0 40 GHAB COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(C)=O)CC1 257297461 RHICTNOIANVIMK-JBYIUTFZSA-N 395.503 3.504 0 40 GHAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnccn4)o3)CC2)c1 257249196 JHFZTYKENQUHSV-HDJSIYSDSA-N 383.477 3.600 0 40 GHAB COc1cnc(NC(=O)N2CC(Cc3ccccc3Br)C2)s1 626554508 ICZCKBSLEYQTEG-UHFFFAOYSA-N 382.283 3.621 0 40 GHAB CN(Cc1cn(C)nn1)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 664437785 PEUMPBJAMNXDEQ-GOSISDBHSA-N 375.904 3.932 0 40 GHAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1cn(C)nc1C(F)(F)F 682103419 URJADKVPDIRDAK-ZDUSSCGKSA-N 381.402 3.701 0 40 GHAB Cn1nc(C(F)F)c2cc(C(=O)N[C@H]3CCc4cc(O)ccc4C3)sc21 684331032 LSYHMHQPOBEWMO-NSHDSACASA-N 377.416 3.565 0 40 GHAB COc1cccc([C@H](NC(=O)N2C[C@@H](O)C[C@H](F)C2)c2ccccc2Cl)c1 1616043769 JFKHCHPXKRNNCB-DOXZYTNZSA-N 392.858 3.552 0 40 GHAB O=C(NCC(O)(c1cccs1)c1cccs1)c1ccc(Br)o1 90617143 AJXNOGATYJJHFL-UHFFFAOYSA-N 398.303 3.831 0 40 GHAB CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 585287258 LQPZUDHKDXZZFE-JLMWRMLUSA-N 379.516 3.873 0 40 GHAB CC(C)(C)c1nc(CN(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cs1 40088719 LIZHWMXPUPMVCJ-AWEZNQCLSA-N 384.592 3.691 0 40 GHAB O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)Nc1ccc(F)cc1F 5399053 XPOBVLYOGPNNFV-UHFFFAOYSA-N 391.377 3.980 0 40 GHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2C)o1 5435119 VOQZZHXUAQCARS-UHFFFAOYSA-N 383.429 3.562 0 40 GHAB COc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1Cn1cccn1 12240446 NYYFVDQTXYXAGU-UHFFFAOYSA-N 395.478 3.563 0 40 GHAB Cc1c(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc2n1CCO 12363537 TYKGJDSRZDSYGN-UHFFFAOYSA-N 382.479 3.565 0 40 GHAB Fc1ccc(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 12407909 YYMXMNXPIYDNMJ-JKSUJKDBSA-N 383.393 3.617 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1Cl 12520875 RAOHUOZHIBAFQS-NSHDSACASA-N 384.860 3.808 0 40 GHAB CCCCn1nc(C(=O)Nc2ccc3c(c2)OCCCO3)c2ccccc2c1=O 12993092 YWDBPXQRMUQRED-UHFFFAOYSA-N 393.443 3.610 0 40 GHAB C1=CC[C@@H]([C@@H]2N=C3NCN(Cc4ccco4)CN3c3nc4ccccc4n32)CC1 13634020 AVFKSGOCVPGUKG-OXQOHEQNSA-N 388.475 3.681 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(OC)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714182 LELPSLPXFOMFTA-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB CCCCN1C(=O)N[C@H](c2ccc(OC(F)F)c(OC)c2)C(C(=O)OC)=C1C 14244728 XCEYSDZBZIIUTG-MRXNPFEDSA-N 398.406 3.610 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccc(C(F)(F)F)cc1 15291573 GUCPCWDKMGEZGZ-UHFFFAOYSA-N 399.800 3.868 0 40 GHAB CC(=O)OCc1ccc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccc(F)cc3)C2)o1 19023003 WSMQRFJVQZNWBS-KNXBSLHKSA-N 387.451 3.602 0 40 GHAB CCn1c(N2CCC[C@H](C(=O)Nc3nnc(C(C)C)s3)C2)nc2ccccc21 19524417 SICYZTXTVLTWMU-AWEZNQCLSA-N 398.536 3.886 0 40 GHAB COc1cccc(CN2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1OC 19568007 IKIFXCVIPYVSHE-OAQYLSRUSA-N 382.435 3.965 0 40 GHAB O=C(c1ccc(N2CCCCC2)cc1)N(Cc1ccccn1)C[C@@H]1CCCO1 19655093 XWOLMEJXPDIXIT-QFIPXVFZSA-N 379.504 3.893 0 40 GHAB CN(C(=O)c1c(C2CC2)cnn1C)c1nc2cc(Br)ccc2s1 622960769 BHRHEUDXZUEZCW-UHFFFAOYSA-N 391.294 3.946 0 40 GHAB CCOCCCNc1ncc(-c2onc(C)c2CC)c(-c2cnc(C)cn2)n1 12156510 KRLLXFHCUMYPSC-UHFFFAOYSA-N 382.468 3.606 0 40 GHAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(N2CCCCC2=O)cc1 8277777 PTIDSACSHRWTQR-UHFFFAOYSA-N 377.444 3.583 0 40 GHAB O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 23025687 FOIKWUYAGYMIHL-GFCCVEGCSA-N 394.853 3.956 0 40 GHAB Cc1nc2ccccc2nc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1 24716384 IIGOISCAEZESGX-UHFFFAOYSA-N 392.484 3.561 0 40 GHAB CCCN(CC(=O)Nc1ccccc1OC)Cc1nc(-c2cccs2)no1 24817304 HWKLPQPVZOKGJN-UHFFFAOYSA-N 386.477 3.657 0 40 GHAB O=S(=O)(NCCCOC1CCCCC1)c1ccc(Br)s1 12971929 LGLOCOAWBFQFAO-UHFFFAOYSA-N 382.345 3.528 0 40 GHAB Cc1ncsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)OCC(C)C)CC1 2056225831 CROVRLJUKKCKMZ-KRWDZBQOSA-N 393.553 3.951 0 40 GHAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1 4079273 KGABWUXKNZGPRF-UHFFFAOYSA-N 395.550 3.698 0 40 GHAB CC(C)C(=O)N1CCCc2cc(NS(=O)(=O)c3ccccc3F)ccc21 5099655 HJIBDJRHLUVGNO-UHFFFAOYSA-N 376.453 3.562 0 40 GHAB Cc1cccc(NC(=O)COc2cc(C(C)(C)C)nn2-c2nc(C)cc(C)n2)c1 12443786 QLVOERHRMRNQQN-UHFFFAOYSA-N 393.491 3.903 0 40 GHAB O=C(CCc1ccccc1Cl)N[C@H]1CCc2onc(CN3CCCC3)c2C1 2055739270 PKWNMIZFWSZMDS-INIZCTEOSA-N 387.911 3.530 0 40 GHAB Cn1nccc1-c1cncc(CNC(=O)CCc2ccc(C(F)(F)F)cc2)c1 575615482 FJTSGGOEUHARJX-UHFFFAOYSA-N 388.393 3.750 0 40 GHAB COC(=O)c1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)S3)cc1 5544911 HUTOXQPEGLSQDU-UHFFFAOYSA-N 399.449 3.673 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)cc1C 16312604 UZWVGDNHINMVOW-UHFFFAOYSA-N 392.864 3.547 0 40 GHAB O=C(Nc1ccccc1OC(F)F)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 32796443 SKWKDHPGJNFAPQ-LLVKDONJSA-N 380.778 3.933 0 40 GHAB O=C(Nc1nnc2ccccn12)C1(c2ccc(Br)cc2)CCCC1 40072789 ASNSKJSVUIMHGN-UHFFFAOYSA-N 385.265 3.942 0 40 GHAB C[C@H](CNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)N(C)c1ccccc1 40121267 IOMBLZRZZXORHQ-GOSISDBHSA-N 394.515 3.911 0 40 GHAB O=C(Nc1ccc(F)cc1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955222 IGPNNAZROVFDTL-UHFFFAOYSA-N 380.423 3.726 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c1 31721782 OKMZLNKZXVDFOR-UHFFFAOYSA-N 393.530 3.821 0 40 GHAB O=C(Cn1ccc2ccc(Br)cc21)N1CCN(c2ccccc2)CC1 20737454 ZTBWCNYLVQJHLN-UHFFFAOYSA-N 398.304 3.753 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)c3ccccc3NC(=O)c3ccco3)ccc21 32722085 IJCXOOVPTXPQFE-UHFFFAOYSA-N 389.411 3.693 0 40 GHAB O=C1C[C@H](C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c2ccc(F)cc2N1 32882808 YBYSZBZRBGOZOU-FQEVSTJZSA-N 396.462 3.829 0 40 GHAB CC(C)c1ccc2c(c1)CCCN2Cc1nnc2n(C)c(=O)c3sccc3n12 52643687 RECUPSNXZRJFKM-UHFFFAOYSA-N 393.516 3.719 0 40 GHAB CC(C)(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 32911870 OYHKIDPHWRMGTG-IBGZPJMESA-N 375.490 3.914 0 40 GHAB O=C(c1ccco1)N1CCC(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)CC1 102713465 VOELCGYEMXYNCG-VKFLQFAXSA-N 390.911 3.578 0 40 GHAB CCn1c(S)nc2cc(C(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)ccc2c1=O 102832512 DYQLTDZMIDBUKP-QWHCGFSZSA-N 399.438 3.556 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2=O)cc1 53636247 UCMGFSSEFRIKPU-GOSISDBHSA-N 388.471 3.789 0 40 GHAB O=c1c2c3c(sc2nnn1Cc1cccc(Br)c1)CCCC3 958864 LBDFRXVVGTXPKR-UHFFFAOYSA-N 376.279 3.543 0 40 GHAB CC1CCN([C@H](c2ccc(F)cc2)c2nnnn2CCc2ccccc2)CC1 1330495 KIKDLXBYVIQQNU-OAQYLSRUSA-N 379.483 3.876 0 40 GHAB COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NC2CCCCC2)cc1OC 1381196 TYJZYWSKAPIXHL-IBGZPJMESA-N 387.432 3.644 0 40 GHAB Clc1ncn(C23C[C@H]4C[C@H](CC(c5nnc(-c6ccncc6)o5)(C4)C2)C3)n1 2803345 DTTZTBPWHLVJAH-NFAYLAGKSA-N 382.855 3.624 0 40 GHAB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1cccc2ncccc12 3312156 CMHXPZGDDMAJBP-XNTDXEJSSA-N 389.411 3.806 0 40 GHAB Cc1ccnc2nc(C(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)nn12 3395601 AFDHBTWGFGZQQS-UHFFFAOYSA-N 392.400 3.662 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)N3CCCC3)n2-c2ccccc2)c1 3401024 CYRHCKKCLYQALB-UHFFFAOYSA-N 378.501 3.957 0 40 GHAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)n1Cc1ccccc1 3411438 UZEZAXHBIDRIDU-LBPRGKRZSA-N 387.896 3.803 0 40 GHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NC1CC1 3536127 IUJGXTYHXPFOCK-UHFFFAOYSA-N 388.880 3.611 0 40 GHAB C[C@]12C(=O)N(CCC3=CCCCC3)CC(=O)N1CCc1c2[nH]c2ccccc12 4073673 ZXBLGLVVHHYZFO-QHCPKHFHSA-N 377.488 3.501 0 40 GHAB biogenic COc1ccccc1NC(=O)CSc1nccn(-c2cc(C)cc(C)c2)c1=O 4484242 VRFBSAWEXMWCLK-UHFFFAOYSA-N 395.484 3.589 0 40 GHAB Cc1c(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)oc2ccccc12 4619887 VIYRUFPOIBCWOB-UHFFFAOYSA-N 399.497 3.517 0 40 GHAB CS(=O)(=O)N(Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1)c1ccccc1 4704214 LVGIIZNAIDDVKW-FBBABVLZSA-N 398.528 3.571 0 40 GHAB O=C(Cc1ccccc1)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(F)cc1 5000947 OVAYCKUNHXHAJL-UHFFFAOYSA-N 390.414 3.933 0 40 GHAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1 5099268 DGCRJPXMABADPM-UHFFFAOYSA-N 378.472 3.956 0 40 GHAB CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)N[C@@H](C)CC)[nH]c(=O)c12 5272138 IGELHKHABZNKLB-QWRGUYRKSA-N 381.567 3.888 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 5511892 NDJBTSCURYQBTM-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB CN(C)C(=O)[C@@H](OC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1 6842741 AJRBGFIIFQBWAS-IBGZPJMESA-N 392.411 3.518 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(-n2ccnc2)cc1 7050251 XYBNLNFEARLOHM-INIZCTEOSA-N 381.501 3.791 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 7265271 CDZUOXLDTJBNAM-ATPCFVOWSA-N 380.532 3.756 0 40 GHAB O=C1O[C@H](C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)Cc2ccccc21 7471648 KAWPGHOFBLIUNY-INIZCTEOSA-N 386.379 3.809 0 40 GHAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(C)cc1 7792478 PCFFAUWMSPOMGP-FQEVSTJZSA-N 386.517 3.661 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(F)c(F)c2)cc1 8035293 CPSOSTYJJQCBPN-GOSISDBHSA-N 396.459 3.605 0 40 GHAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2 8324806 AJFJWKDELGIVGW-UHFFFAOYSA-N 380.400 3.665 0 40 GHAB O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)NCC(F)(F)F)c1 8707601 WUSYLMYXWFEEBW-UHFFFAOYSA-N 386.757 3.650 0 40 GHAB C[C@H](NC(=O)CSc1ccc2c(c1)CCC2)c1ccc(S(C)(=O)=O)cc1 8774723 IQPSRIFCWBCUKC-AWEZNQCLSA-N 389.542 3.548 0 40 GHAB Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2ccco2)cc1 9132167 KDCSTIDLDKQIKD-HNNXBMFYSA-N 381.457 3.643 0 40 GHAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(CCO)cc3)c(=O)oc2c1C 9482762 PKMFRLWKCSCLGR-UHFFFAOYSA-N 395.455 3.525 0 40 GHAB C[C@H](NC(=O)[C@@H](C)Sc1nc2ncccn2n1)c1ccc(Cl)cc1Cl 10074193 JQAOXKDNCAJNSG-VHSXEESVSA-N 396.303 3.789 0 40 GHAB COc1cccc(C(=O)COC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1 10610735 LAUPXPYZKXABKF-UHFFFAOYSA-N 387.819 3.515 0 40 GHAB C[C@H](OC(=O)c1cc2sc(Nc3ccccc3)nc2s1)C(=O)NC1CC1 10712253 FUNAZJHCCQCZGI-JTQLQIEISA-N 387.486 3.925 0 40 GHAB CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccc(F)c(Cl)c1 11613575 VVJGVLPNHQVCHW-NSHDSACASA-N 381.860 3.835 0 40 GHAB CCc1nnc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)s1 11659751 VYEQJRXHYVXPMD-UHFFFAOYSA-N 382.474 3.662 0 40 GHAB COc1ccccc1O[C@H](C)C(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 11913735 AKHBUPLIUJTQRC-CQSZACIVSA-N 397.431 3.938 0 40 GHAB CC(=O)NC1(c2ccccc2F)CCN(C[C@@H](O)c2ccc(C)c(C)c2)CC1 12188322 PIAJJLJSWJSEJM-JOCHJYFZSA-N 384.495 3.603 0 40 GHAB O=C(C[C@H]1CSc2nccc(=O)n21)Nc1ccc(Nc2ccccc2)cc1 12236343 HYJPVCDDPMHGJG-KRWDZBQOSA-N 378.457 3.663 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](Cc1ncc[nH]1)c1ccccc1 12506773 KELYGALCHBIJHW-KRWDZBQOSA-N 389.484 3.950 0 40 GHAB CN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccccc1Cl 12771205 RFTJBRQOOHCQLN-UHFFFAOYSA-N 394.302 3.522 0 40 GHAB Cc1ccnc2nc(C(=O)Nc3ccccc3SCc3ccccc3)nn12 12800514 JIVXLKLIVYXWCD-UHFFFAOYSA-N 375.457 3.977 0 40 GHAB NC(=O)CCn1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1 12805443 XUKVBJFDJNRVJH-UHFFFAOYSA-N 396.900 3.967 0 40 GHAB O=C(Nc1ccc(Br)cc1F)[C@H]1CC(=O)N(c2ccccc2F)C1 12924426 KVRGWQWKIOYZAG-JTQLQIEISA-N 395.203 3.719 0 40 GHAB CC(C)(C)C(=O)Nc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 13001235 RNPPYTKHTCNMIO-UHFFFAOYSA-N 397.406 3.510 0 40 GHAB COc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c1 13570434 BIDSRLTXYPNXKM-MRXNPFEDSA-N 391.471 3.596 0 40 GHAB CCCCCOc1ccccc1/C=c1\sc2nc(-c3cccs3)nn2c1=O 13644053 DRGIYIVUYZGZRA-LGMDPLHJSA-N 397.525 3.996 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)s1 13696605 JCMAWPNMNISERU-UHFFFAOYSA-N 388.470 3.653 0 40 GHAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCN(c2ccccc2)CC1 14052053 MJTWZUUFERGSPS-UHFFFAOYSA-N 397.425 3.901 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 14170446 MYQIIQMIUJIJRC-HNNXBMFYSA-N 392.546 3.911 0 40 GHAB Cc1ccccc1-n1ccnc1SCc1nc(N)nc(Nc2ccccc2)n1 16545054 DVNKCGGCUHOTCR-UHFFFAOYSA-N 389.488 3.984 0 40 GHAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)Cc3cccc(C)n3)CC2)C1 19236099 CRVXPUAZRZBOSA-UHFFFAOYSA-N 393.531 3.944 0 40 GHAB COCc1nn2c(O)cc(-c3sc(C)nc3C)nc2c1-c1ccc(OC)cc1 19560604 LAKITZUYXLUJIQ-UHFFFAOYSA-N 396.472 3.997 0 40 GHAB CCn1ccc(C(=O)Nc2ccc([C@@H]3C[C@H](NC(C)=O)C[C@H](C(C)C)O3)cc2)n1 19711752 RWSSAYDGYHOEFU-NRSPTQNISA-N 398.507 3.536 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc(-c2cccc(F)c2)no1 19718150 VRDRXIVYKNMQQB-UHFFFAOYSA-N 395.434 3.590 0 40 GHAB CCCn1ncc2ccc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)nc21 19744514 HJAUPJJGJWYOJU-GOSISDBHSA-N 378.476 3.626 0 40 GHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(N2CCCS2(=O)=O)c1 22278955 VAIKTNHHNAEWMS-QGZVFWFLSA-N 386.517 3.667 0 40 GHAB CC(C)COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 23744528 HIWSJAIKJQDCNP-LJQANCHMSA-N 388.533 3.586 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)s1 24346202 CZJMXYHNSWSSNM-UHFFFAOYSA-N 388.518 3.842 0 40 GHAB Cc1nn(CC(=O)Nc2cc(Cl)cc3cccnc23)c(=O)c2ccccc12 24865731 XRJIFANTLMDZQO-UHFFFAOYSA-N 378.819 3.545 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 27386195 NQVKILWJYBTEHQ-MRXNPFEDSA-N 393.487 3.590 0 40 GHAB CCC(C)(C)C1CCC(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 28035788 UZSKOFYKGFEOEJ-UHFFFAOYSA-N 395.569 3.524 0 40 GHAB CC[C@H](NC(=O)CCNC(=O)c1cccs1)c1ccccc1OC(F)F 31756038 YVPQSWZMBRSWHC-ZDUSSCGKSA-N 382.432 3.737 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2N2CCCCC2)cc1 32958740 KKPYVGIQVCSTNE-UHFFFAOYSA-N 386.517 3.788 0 40 GHAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H](c2nnc3ccccn23)C1 40011997 ZBCJCBRLMIMJBH-INIZCTEOSA-N 389.484 3.873 0 40 GHAB CC(=O)NCCc1ccc(C(=O)NCC2(c3ccccc3)CCCCC2)cc1 40082669 WPBRRTTUSQLGRL-UHFFFAOYSA-N 378.516 3.997 0 40 GHAB O=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CCC3(CC2)OCCO3)cc1 40151653 CHUIXZFYBCPJNY-UHFFFAOYSA-N 395.459 3.746 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)NC2(c3ccccc3)CCC2)c1 41843942 GWBNNUNOEANXDZ-UHFFFAOYSA-N 378.501 3.738 0 40 GHAB O=C(Oc1ccc(C2SCCS2)cc1)[C@@H]1CCCN(c2ncccn2)C1 44577376 CHWONXMJZIGBRI-OAHLLOKOSA-N 387.530 3.777 0 40 GHAB CN(Cc1ccsc1)C(=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 46093972 MEMUAQMUCJJFHC-UHFFFAOYSA-N 392.329 3.628 0 40 GHAB COCCn1c(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nc(C)c1C 47560875 YAYAPVIRTUMBSH-CYBMUJFWSA-N 392.550 3.914 0 40 GHAB O=S(=O)(c1ccc(NCc2cnn(-c3ccccc3)c2)cc1)C(F)(F)F 48301370 JJOFNDJLBLZPDI-UHFFFAOYSA-N 381.379 3.778 0 40 GHAB CCC(C)(C)NC(=O)c1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 55687325 SUSURESZAVKLFQ-SFHVURJKSA-N 380.444 3.845 0 40 GHAB Cn1cc(NC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)cn1 56915688 JTTHKNOGRRADBC-QGZVFWFLSA-N 386.249 3.941 0 40 GHAB Cc1cccc(Cl)c1NC(=O)CSc1nc2ccsc2c(=O)n1C 57416895 NDHZQCYLSMMBNG-UHFFFAOYSA-N 379.894 3.688 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)Cn1cnc2c(sc3ccccc32)c1=O 57507963 ZBOMRCAFNFSTJP-HNNXBMFYSA-N 391.496 3.749 0 40 GHAB O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(c(C(=O)O)cn2-c2cccc(F)c2)N1 66087893 DBKICPFDDKSGQY-CQSZACIVSA-N 394.358 3.517 0 40 GHAB Cc1ccc(NC(=O)CCc2ccccc2O)cc1NC(=O)c1ccncc1 67067999 CWVBPYCNWVVZSQ-UHFFFAOYSA-N 375.428 3.919 0 40 GHAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(F)cc2F)c1 67246388 HLEFZESRQOJLFC-UHFFFAOYSA-N 398.413 3.829 0 40 GHAB Nn1c(SCc2ccc(Br)cc2)nc2cc(Cl)ccc2c1=O 71768839 QJWBFLXYXWSYMR-UHFFFAOYSA-N 396.697 3.819 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)N(CC(F)(F)F)C1CCOCC1 77101011 RTKBJEJBIHXNBY-UHFFFAOYSA-N 386.197 3.942 0 40 GHAB O=C1[C@@H](N(Cc2c(F)cccc2F)C2CCCC2)CCN1CC(F)(F)F 78922646 ZWYRMURMMKICCK-INIZCTEOSA-N 376.369 3.873 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1n[nH]c(Cc2ccc(F)cc2)n1 79494003 AXAONQKPKSPDRC-UHFFFAOYSA-N 391.406 3.761 0 40 GHAB CCO[C@H]1CCCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 89986622 YMCYLVVOOQGTEL-KRWDZBQOSA-N 376.298 3.907 0 40 GHAB Cc1ccc(Cl)cc1S(=O)(=O)NCCCn1ccnc1-c1ccccc1 90583379 VUEOMPAUHFWDQJ-UHFFFAOYSA-N 389.908 3.881 0 40 GHAB O=S(=O)(Nc1ccc(I)cc1)[C@H]1CCc2ccccc21 95868316 YLZYNZIOBYTZNZ-HNNXBMFYSA-N 399.253 3.720 0 40 GHAB Cc1ccc(CNC(=O)CN2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1 96024434 KFXIWOLHQRWWIQ-UHFFFAOYSA-N 396.516 3.602 0 40 GHAB CC(C)[C@@H]1COC(CC(C)(C2=N[C@H](C(C)C)CO2)C2=N[C@H](C(C)C)CO2)=N1 96024848 ZLJMXDGDZUSSDE-ULQDDVLXSA-N 377.529 3.743 0 40 GHAB Cc1cccc(CN2CCC3(CC2)CN(C(=O)C(C)C)Cc2ccccc23)n1 96242618 JOJHHFSRWOYRHQ-UHFFFAOYSA-N 377.532 3.922 0 40 GHAB Cc1noc(C)c1C(=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1 96356917 DADYGKPJIYJMTE-UHFFFAOYSA-N 375.388 3.580 0 40 GHAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C(=S)Nc2cccc(C(F)(F)F)c2)C1 100628926 JOQPWAFSGVNXBP-CHWSQXEVSA-N 393.434 3.683 0 40 GHAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1ccc2[nH]c(C(F)(F)F)nc2c1 101413869 LRGXBACMFBZHTC-CZUORRHYSA-N 380.414 3.576 0 40 GHAB COc1ccc([C@@H]2CC(=O)[C@H]3C=Nc4ccccc4N[C@@H]3C2)c(OC)c1OC 107916090 DXUMWCIVUIPWJB-DHSIGJKJSA-N 380.444 3.972 0 40 GHAB CCCCNc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)O 217607676 TWXXLSAHSMXPCY-CQSZACIVSA-N 376.478 3.636 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(S(C)(=O)=O)cc1 219551699 XMNLSBIHPFIBCJ-OXQOHEQNSA-N 389.517 3.742 0 40 GHAB COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222916611 BPQZXRIJLUZUEB-UXHICEINSA-N 386.565 3.775 0 40 GHAB COc1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)c(C(C)=O)cc1OC 223260431 SFWJNRJLMMIGCF-UHFFFAOYSA-N 377.462 3.632 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1 223719025 OLQVAALUGAZKKX-SFHVURJKSA-N 380.488 3.542 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](C)COc2ccc(C)c(C)c2)c(C)c1C 225085352 NVCBUFDKIJIJFM-OAHLLOKOSA-N 377.506 3.675 0 40 GHAB CC(C)[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 225215429 NHJUAKNAQCFIOZ-CYBMUJFWSA-N 380.897 3.915 0 40 GHAB COc1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 225465472 FSHWTPLACZESHR-ZHZULCJRSA-N 390.439 3.684 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 225718612 VDPPGZBHTAHLIL-HXUWFJFHSA-N 386.467 3.537 0 40 GHAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)NCc1ccc(Cl)cc1Cl 225743417 AHAKRNCKWYXDDC-UHFFFAOYSA-N 375.255 3.933 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc1OC 244402142 YKZIRDROEOELAB-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCN(Cc3cccc(F)c3)C2)nc1C 257221774 DQLHULWJYLQYQI-LJQANCHMSA-N 398.526 3.633 0 40 GHAB CN(C)C(=O)c1sc2nc([C@@H]3CCCCN3Cc3cccnc3)ccc2c1N 257307319 SYEJBJHRMJKOGS-KRWDZBQOSA-N 395.532 3.703 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 260854600 ZWHIAPNKINWUDN-HKUYNNGSSA-N 382.570 3.872 0 40 GHAB Cc1nc(Cn2ccnc2[C@@H]2CN(C(=O)CC3CC3)Cc3ccccc32)cs1 306125915 DFMXAWCKEPLGMG-HXUWFJFHSA-N 392.528 3.971 0 40 GHAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)C(C)(C)C 408627824 OBVMSXAIUHWGFQ-UHFFFAOYSA-N 385.468 3.727 0 40 GHAB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OC 409254373 XCIRWLGBYVFJQA-CXUHLZMHSA-N 386.835 3.759 0 40 GHAB O=S(=O)(Nc1n[nH]c(C2CCC2)n1)c1cc(Cl)ccc1OCCC1CC1 508239258 ZMOIGQMFZFRFPM-UHFFFAOYSA-N 396.900 3.705 0 40 GHAB CCc1cccc2c(CCNC(=O)[C@H](NC(=O)c3cccs3)C(C)C)c[nH]c12 521134109 ORCDQCJIPOCXSO-LJQANCHMSA-N 397.544 3.905 0 40 GHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)[C@@H]1CC(=O)N(Cc2ccccc2)C1 524734146 BOOWHZKUOMUEJI-DYESRHJHSA-N 387.483 3.710 0 40 GHAB COc1ccc(F)c2[nH]c(C(=O)N3CC[C@]4(CC(=O)c5ccccc5O4)C3)cc12 573900917 FPMGJTONMMVXNY-QFIPXVFZSA-N 394.402 3.566 0 40 GHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575612239 KAEZTVNFDRWULK-AWEZNQCLSA-N 385.773 3.832 0 40 GHAB Clc1ccc2[nH]c3c(c2c1)C[C@H](NCc1cn(Cc2cccnc2)nn1)CC3 647228988 HIYFDRYBUJRRLZ-MRXNPFEDSA-N 392.894 3.503 0 40 GHAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)[C@H]1c1ccccc1 654780877 VABGHRJSLVYTHS-CJNGLKHVSA-N 399.390 3.542 0 40 GHAB O=C(O)[C@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)[C@@H]1c1ccccc1 654780879 VABGHRJSLVYTHS-XJKSGUPXSA-N 399.390 3.542 0 40 GHAB CCCCCC(=O)N1CC[C@H]2CC(=O)Nc3cc(F)ccc3OCC[C@H]2C1 1534646910 VYSRNFXUPSQKPH-HOTGVXAUSA-N 376.472 3.982 0 40 GHAB Cn1cccc1CNC(=O)CC1(CN2Cc3ccccc3C2=O)CCCCC1 1565524570 LCORIBFCPCHBRV-UHFFFAOYSA-N 379.504 3.638 0 40 GHAB O=C(c1cc(C2CC2)on1)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1776001516 XOEPQBTYCZLFKG-GFCCVEGCSA-N 395.381 3.897 0 40 GHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1 47589479 HPUVLOYKCNEXID-FZKQIMNGSA-N 393.915 3.949 0 40 GHAB Cc1noc(C)c1Cc1ccc(-c2nn3c(C(F)(F)Cl)nnc3s2)o1 61718969 HCPHXQGAHHMWLX-UHFFFAOYSA-N 385.783 3.930 0 40 GHAB CCCS(=O)(=O)Nc1cccc(C(=O)NCC2(c3ccccc3)CCC2)c1 12526288 MXCLJGBJNNJDTC-UHFFFAOYSA-N 386.517 3.690 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1C[C@@H]1CCCO1)c1ccc(F)cc1 1364305 XTHJHQVXMHPUIU-HNNXBMFYSA-N 387.436 3.831 0 40 GHAB COc1cc(NC(=O)NCCOc2ccc(Cl)cc2)cc(OC)c1OC 43170408 QMXAPRMXNNFDFV-UHFFFAOYSA-N 380.828 3.566 0 40 GHAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC(=O)N(C)C 1293550 WIUODEBYZZSNDZ-UHFFFAOYSA-N 395.411 3.854 0 40 GHAB biogenic O=C(Nc1nc2c(F)cc(F)cc2s1)[C@H]1CC(=O)N(c2ccccc2F)C1 24843126 LRIXXUUEBFJEMN-VIFPVBQESA-N 391.374 3.705 0 40 GHAB Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc2c1N(C)S(=O)(=O)c1ccccc1-2 106427181 XLVPVGSJJFGSIS-YZVOILCLSA-N 396.512 3.719 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CC 4161552 XVTPRSALEVBNKG-UHFFFAOYSA-N 383.473 3.546 0 40 GHAB CCOc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 4852885 DYNOSTCVFRMHPW-DYESRHJHSA-N 382.416 3.642 0 40 GHAB CCCCOc1ccc(-c2nnn(CC(=O)Nc3cccc(Cl)c3)n2)cc1 4973945 LMGWDYHJKWDZFP-UHFFFAOYSA-N 385.855 3.811 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 6225654 ITVUTMSCCPCYDK-CYBMUJFWSA-N 396.871 3.519 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2C)cc1 7341893 VYRIZPOTWJKEIH-UHFFFAOYSA-N 396.560 3.968 0 40 GHAB C[C@H](N[C@H](c1ccccc1)c1cccs1)C(=O)N1CC(=O)Nc2ccccc21 57452454 RTCYGJVRJIWVLR-YCRPNKLZSA-N 391.496 3.801 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N[C@H](C)c2cccc(Cl)c2)cc1 58170289 GJSCLTGUDCFUKW-HZPDHXFCSA-N 387.911 3.785 0 40 GHAB Cc1ccccc1-c1nnc2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n12 9189081 YCZCESZYANGDMK-QGOAFFKASA-N 375.497 3.972 0 40 GHAB CC(=O)Nc1ccc(NC(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1 9573832 MSRPXCPGIMHKKD-UHFFFAOYSA-N 389.415 3.597 0 40 GHAB COc1ccc(S(=O)(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1 2182611 ONCRWOFNAQUFLG-UHFFFAOYSA-N 398.436 3.820 0 40 GHAB COc1ccc(C(=O)CNc2ccccc2C(=O)NCCc2ccccc2)cc1 3257562 BABXLQCNUFWHNQ-UHFFFAOYSA-N 388.467 3.963 0 40 GHAB C[C@@H](NC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1cccc(F)c1 58330165 OKADIAGYOJMIBY-OAHLLOKOSA-N 375.488 3.757 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(F)cc(F)c2)cc1 10665623 YMLADXWZNFTPQM-UHFFFAOYSA-N 376.388 3.533 0 40 GHAB Clc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1 2376103 FNTMFQKNZRVBPM-UHFFFAOYSA-N 390.878 3.796 0 40 GHAB COc1ccc2nc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)sc2c1 11332460 SKPAQMZLFGERDZ-CYBMUJFWSA-N 381.457 3.835 0 40 GHAB CCS(=O)(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 46288912 QTKGUUMWKVORHP-UHFFFAOYSA-N 388.272 3.805 0 40 GHAB O=C1CCSc2ccc(C(=O)Nc3cccc(N4CCCC4=O)c3)cc2N1 11916405 ZWGFUURFYCPBTA-UHFFFAOYSA-N 381.457 3.500 0 40 GHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(F)cc1)S(C)(=O)=O 10366910 SPASMJRMOJOPAY-GFCCVEGCSA-N 384.860 3.581 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)Cn1nc(-c2ccco2)oc1=S 3338208 MUGDIPMYUDXUAD-UHFFFAOYSA-N 378.841 3.647 0 40 GHAB COc1cccc(C(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)n1 95964439 VJWZJIRLASJYKT-GFCCVEGCSA-N 396.472 3.663 0 40 GHAB O=C(CSc1ccccc1)OCc1cc(=O)n2c(n1)sc1ccccc12 24828661 UAXAWOHYPOEIPA-UHFFFAOYSA-N 382.466 3.745 0 40 GHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 3465246 IWRVZSBZAAKNLS-FQEVSTJZSA-N 385.851 3.526 0 40 GHAB COc1cc(CNC(=O)CCc2ccsc2)ccc1OCc1ccncc1 48445984 JNTMXSYRRWDBHC-UHFFFAOYSA-N 382.485 3.980 0 40 GHAB Cc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nnnn3C3CC3)n2)cc1 9114028 LMFIPXULDQVVEX-NSHDSACASA-N 386.506 3.559 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)N1CCC(c2nc3ccccc3o2)CC1 12932342 MDWKQXQOASVLRS-UHFFFAOYSA-N 387.439 3.661 0 40 GHAB O[C@@]1(c2ccc(Cl)cc2)CN(c2ccc3c(c2)OCCO3)C2=[N+]1CCCCC2 27525292 ZFSFIXSEIBBZPZ-JOCHJYFZSA-N 399.898 3.762 0 40 GHAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 13070662 LBJFWCGDECVCAX-UHFFFAOYSA-N 392.786 3.519 0 40 GHAB O=C(CCCn1ccnc1)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 96001304 SEUOICKPDCROEV-GOSISDBHSA-N 379.464 3.857 0 40 GHAB COc1cccc(OC)c1CC(=O)N[C@]1(C(F)(F)F)CCc2ccccc21 96005877 GATKOWWDKICUPO-LJQANCHMSA-N 379.378 3.767 0 40 GHAB COc1ccc(NC(=O)CSc2nnnn2-c2ccc3ccccc3c2)cc1 5015299 DPDVSOQEDFBUTC-UHFFFAOYSA-N 391.456 3.555 0 40 GHAB Cc1ccc2nc(Cl)c([C@@H]3CC(c4ccco4)=NN3S(C)(=O)=O)cc2c1 4280296 XXBBOSNKUBHNKP-INIZCTEOSA-N 389.864 3.900 0 40 GHAB O=C(Nc1ccc[nH]c1=O)c1ccc(SCc2cn3ccccc3n2)cc1 65489094 HGVPPPHUJOMCCQ-UHFFFAOYSA-N 376.441 3.567 0 40 GHAB O=C1CCCC[C@@H]1Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 66316496 UTJBBTJQNDDYKY-RDJZCZTQSA-N 375.469 3.867 0 40 GHAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2C)cc1 4736074 GLWDGSQBYWFYLD-ZDUSSCGKSA-N 396.472 3.639 0 40 GHAB Cn1c(-c2ccccc2)c([C@H]2c3ccccc3C(=O)N2CC(N)=O)c2ccccc21 4734688 CUTNENYXFXTFST-XMMPIXPASA-N 395.462 3.876 0 40 GHAB COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)O)c1 4860081 XXYLWDGZILYUBF-IBGZPJMESA-N 396.443 3.555 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(SCc3ccc(F)cc3)s2)no1 19829350 OAGFCLMKKGFDMB-UHFFFAOYSA-N 396.494 3.997 0 40 GHAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2)NC(=O)N1 7141152 VOWLBLFAYSEWEV-MRXNPFEDSA-N 375.350 3.972 0 40 GHAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1Cl 7667030 HNSIYPFQPLVDBH-GFCCVEGCSA-N 378.881 3.611 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c1 8131770 XPEUCAPETLMMFA-UHFFFAOYSA-N 383.473 3.766 0 40 GHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CNCc2cccs2)cc1 8403931 QQGKFKHETPXBPV-UHFFFAOYSA-N 393.512 3.715 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](c1ccco1)N1CCCC1 8490530 YGKVXZIOBMGKEQ-LJQANCHMSA-N 378.476 3.649 0 40 GHAB CCSc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1 97013482 DSNHSDVGDVKUOZ-UHFFFAOYSA-N 390.940 3.851 0 40 GHAB CCN(CC)CCN(CC(=O)Nc1cc(C)ccc1OC)Cc1cccs1 72314831 GOGMQYVWXJHNCX-UHFFFAOYSA-N 389.565 3.848 0 40 GHAB Fc1ccc(-c2ccn3ncc(N4CCN(Cc5cccnc5)CC4)c3c2)cc1 306135651 OWWAGXJHSRASDA-UHFFFAOYSA-N 387.462 3.858 0 40 GHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccc(F)cc2)CC1 22531383 KPALIOTWLCZATQ-GOSISDBHSA-N 376.859 3.985 0 40 GHAB Cc1cccc(CN2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 306143591 YGLGBNVGXBAQHY-FQEVSTJZSA-N 384.487 3.874 0 40 GHAB CC(C)(C)OC(=O)N[C@H]1CCCN([C@@H](C(=O)O)c2ccc3ccccc3c2)C1 215747751 NYKMXWYQTZZMKF-RBUKOAKNSA-N 384.476 3.955 0 40 GHAB Cc1cccc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4ccncc4)ccc2S3(=O)=O)c1 306127286 FTZLSDFVPWBTIK-JTHBVZDNSA-N 390.508 3.812 0 40 GHAB CN(C(=O)CN1CCC[C@H]1c1cccc(Nc2cnccn2)n1)C1CCCCC1 72375154 SOTMNWCERXMFKT-IBGZPJMESA-N 394.523 3.543 0 40 GHAB CCOc1ccc(S(=O)(=O)NCC(c2ccco2)c2ccco2)cc1F 669652468 PCVVEKQXALPZCH-UHFFFAOYSA-N 379.409 3.521 0 40 GHAB Cc1nnc(NC(=O)CC2(CN3Cc4ccccc4C3=O)CCCCC2)s1 1565524269 DJOHUYUJSUVMOW-UHFFFAOYSA-N 384.505 3.782 0 40 GHAB Cc1csc2nc(CN[C@H]3C[C@@H](OCc4ccccc4)C3(C)C)cc(=O)n12 567338232 SSPCQQSOGHUZSL-ZWKOTPCHSA-N 383.517 3.538 0 40 GHAB CN(CC(=O)NCc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2s1 70973016 FDGGJTYNCDACBS-UHFFFAOYSA-N 395.406 3.948 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1ccccc1OC)CCCC3 35079580 RYUHYOLRLQUVHQ-LJQANCHMSA-N 393.487 3.946 0 40 GHAB CC(=O)N1CCc2nc([C@H]3CCCN(CC[C@H](C)c4ccccc4)C3)ncc2C1 72397272 YPRZMOMGEDIHOP-RXVVDRJESA-N 392.547 3.754 0 40 GHAB O=C(c1cnccn1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359527 MDHBJAZTVIMNPC-HNNXBMFYSA-N 379.851 3.607 0 40 GHAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1 223415714 CNDQLYOZLFZOCE-NHCUHLMSSA-N 392.528 3.910 0 40 GHAB Cc1ccccc1-c1noc(CN(C)S(=O)(=O)Cc2ccccc2Cl)n1 223627761 BWKMHQCHBQBORG-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB CCCC[C@H](CC)CNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 223872763 KLXAJTOHCDXRMF-ZDUSSCGKSA-N 392.924 3.578 0 40 GHAB COc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCCCC3)n2)cc1 225932771 MZGUBWUZAPCBIF-UHFFFAOYSA-N 391.928 3.616 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)c(OC)c1OC 222842298 QIMOOCALSWVTTG-HNNXBMFYSA-N 399.487 3.675 0 40 GHAB CCc1ccc(OCC(=O)Nc2cccc(C(=O)OC)c2)c(Br)c1 40942677 KNAFIWIGMVSJKV-UHFFFAOYSA-N 392.249 3.816 0 40 GHAB Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(Br)cc2)n[nH]1 223252272 JHNMCDJEQJFUMC-UHFFFAOYSA-N 392.278 3.948 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C(=O)O)cc1 222798892 CZQNMIVJSSWFJR-RTBURBONSA-N 392.484 3.563 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 44908693 WFVOUYOYNVOXMB-GOSISDBHSA-N 382.504 3.878 0 40 GHAB COc1ccc(-c2cc(N3CCN(C(=O)c4cc(C)ccc4C)CC3)[nH]n2)cc1 98212561 LELINVLYAAGPHP-UHFFFAOYSA-N 390.487 3.665 0 40 GHAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@H](c2ccc3nccnc3c2)S1 95477254 VMRKYBOIRJUKOX-KRWDZBQOSA-N 381.461 3.770 0 40 GHAB c1cnc(Nc2cccc([C@@H]3CN(Cc4ccnc5ccccc45)CCO3)n2)nc1 257301330 RXZPVZFJVUWVDV-NRFANRHFSA-N 398.470 3.737 0 40 GHAB O=C(CN1CCCCCC1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257227700 FQMSQDPUDWOMMW-IBGZPJMESA-N 399.510 3.987 0 40 GHAB O=C(Cc1ccccc1F)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 257293852 QRLZIZSETBQYSF-WKILWMFISA-N 394.450 3.903 0 40 GHAB O=C(C(=O)N1CCC(CSc2ccccn2)CC1)c1c[nH]c2ccccc12 90608043 UKVLRNIQLLXUBJ-UHFFFAOYSA-N 379.485 3.777 0 40 GHAB CCN1CCC(CCNC(=O)N2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)CC1 664222763 FTJJCNLBQGNAIH-QGZVFWFLSA-N 393.959 3.975 0 40 GHAB COc1ccc(CCN[C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1OC 95996202 DSPCLZPFGAYNKN-NVXWUHKLSA-N 378.513 3.624 0 40 GHAB O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)NCc1cccs1 11834897 HFKSFPBFGKXSDW-UHFFFAOYSA-N 389.477 3.845 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O 13713077 UQRFYNQUZJMZMZ-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(CC2CCCCC2)C1 19348338 UPUOFEOMSJGZBB-XMMPIXPASA-N 392.547 3.834 0 40 GHAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)CSc1ccncc1)C2 19562477 WCOLDLSWIYOWAW-NRFANRHFSA-N 398.528 3.562 0 40 GHAB CNc1cc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(-c2ccncc2)n1 19592269 YEFMXDPAGBTQIO-KRWDZBQOSA-N 391.450 3.739 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)c1 19934514 RCGQBHGVDJZESP-OAHLLOKOSA-N 394.924 3.600 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C)c2nc(NN)sc2c1 226313368 GCSTWFYJSCMHER-UHFFFAOYSA-N 376.869 3.870 0 40 GHAB COc1cc2c(cc1OC)[C@H](C)N([C@@H]1CCCN(C(=O)C3CCCC3)C1)CC2 12232928 CKCJXFOLLZJXMM-QFBILLFUSA-N 386.536 3.804 0 40 GHAB CCN(Cc1cccc(NC(=O)Cc2ccccc2OC)c1)C(=O)C(F)(F)F 36398623 ZNBPGQYMGHVWFU-UHFFFAOYSA-N 394.393 3.787 0 40 GHAB O=C(c1ccccc1-c1ccccc1)N1C[C@H](O)[C@@H](N2CCc3ccccc3C2)C1 1848352665 FINVFZCUAKKGCZ-DQEYMECFSA-N 398.506 3.597 0 40 GHAB Cc1cc(C)cc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 11612534 RJAHZRGLZXUXGM-LJQANCHMSA-N 386.517 3.875 0 40 GHAB CC[C@H](C(=O)Nc1ccc(-c2ccc(S(C)(=O)=O)nn2)cc1)c1ccccc1 17269277 MHSJTPCGWGBZQD-SFHVURJKSA-N 395.484 3.679 0 40 GHAB CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(Cl)c2)CC1 22460187 KFOGXLJGVWEUII-DNVCBOLYSA-N 391.968 3.899 0 40 GHAB O=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1ccc(Cl)cc1 23127712 URXHEZCMFXCEQW-UHFFFAOYSA-N 384.954 3.592 0 40 GHAB COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccccc3SC)n2)cc1 42380967 GHXPOFLPTKZVNP-CQSZACIVSA-N 395.484 3.841 0 40 GHAB Cc1cc(C)n([C@@H](CNC(=O)c2cc3ccccc3oc2=O)c2cccs2)n1 575609319 AWZWNGWKGNVGDV-KRWDZBQOSA-N 393.468 3.687 0 40 GHAB COC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(OC)c1 4061616 CEPKGCCMJMGKKO-UHFFFAOYSA-N 394.456 3.689 0 40 GHAB CCOc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccccc3OC)no2)cc1 32624318 JONMBEPMUHNIJU-CYBMUJFWSA-N 383.404 3.550 0 40 GHAB N=C1c2ccccc2CN1NC(=O)COc1ccc(OCc2ccccc2)cc1 102187688 WABGPBWIHHPRLT-UHFFFAOYSA-N 387.439 3.517 0 40 GHAB Cc1cc2oc(=O)cc(CN3CCN(C(=O)c4ccco4)CC3)c2cc1C(C)C 22287049 KDNOIJIEHLZBAN-UHFFFAOYSA-N 394.471 3.776 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(C)o1 23261609 OBBHLWZCFDDJOQ-NSHDSACASA-N 388.283 3.789 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 796831 FRYDJXUEEQMJEL-HNNXBMFYSA-N 392.908 3.688 0 40 GHAB Cc1c(NC(=O)COc2ccc3ccccc3c2)c(=O)n(-c2ccccc2)n1C 831484 FJHVVTPVPDNETF-UHFFFAOYSA-N 387.439 3.655 0 40 GHAB Cc1cc(C)c2cc(CN(CCN(C)C)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 1371233 XXINRUNYHJPPHA-UHFFFAOYSA-N 398.551 3.551 0 40 GHAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C(=O)NC1CCCCC1)c1cccc(F)c1 1377984 VDIXYYGXCWHKPI-IHWFROFDSA-N 387.499 3.983 0 40 GHAB COCCOC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2336683 BFWJBWXYJHDPBH-UHFFFAOYSA-N 396.834 3.613 0 40 GHAB Cc1cccc(NC(=O)CSc2nc(O)c3cnn(-c4ccccc4)c3n2)c1 2717758 FIZLSRFAHYZYIA-UHFFFAOYSA-N 391.456 3.560 0 40 GHAB CN(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc(F)c4)cc3n2)cc1 2737680 DZCDYBZATOKUDG-UHFFFAOYSA-N 375.407 3.878 0 40 GHAB CC[C@H](C)NC(=O)CCCn1c(=S)[nH]c2ccc(Br)cc2c1=O 2973723 IHAKZRRVEJMIIV-JTQLQIEISA-N 398.326 3.516 0 40 GHAB O=C(OCC(=O)c1ccc(OC(F)F)cc1OC(F)F)c1ccccc1O 3295502 TZCXXDWKQMYDCU-UHFFFAOYSA-N 388.269 3.635 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NC1CCCC1 3477466 UIXLTNRZIZGPGI-UHFFFAOYSA-N 379.485 3.537 0 40 GHAB CCOC(=O)CSc1nc2c(ccc3c(C)c(Br)c(=O)oc32)o1 3849500 XIBSJLDCPTYERU-UHFFFAOYSA-N 398.234 3.660 0 40 GHAB biogenic Nc1c(S(=O)(=O)c2ccccc2)cnc(=S)n1-c1cccc(Cl)c1 4193525 OQZKIYHDCODXEH-UHFFFAOYSA-N 377.878 3.670 0 40 GHAB COc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(OC)c2OC)CC(=O)O3)cc1 4626329 BEYAUUTZQGVKKK-OAHLLOKOSA-N 380.400 3.544 0 40 GHAB COc1ccccc1N1CCN(C2CCN(Cc3ccc(F)cc3)CC2)CC1 4712187 CKPAMEGJQSRLMK-UHFFFAOYSA-N 383.511 3.621 0 40 GHAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N2CCCC2)n1-c1ccccc1 4843382 XSRFPIZVHXTYHD-HNNXBMFYSA-N 382.489 3.939 0 40 GHAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C)CC2)c(OC)c1 4863266 AONSROFAKKTLBC-FQEVSTJZSA-N 393.487 3.669 0 40 GHAB Cc1c(C(=O)OCC(=O)NC(=O)NCC(C)C)oc2c1ccc1ccccc12 4989158 FTVCCUDAPFJNHT-UHFFFAOYSA-N 382.416 3.533 0 40 GHAB CCOc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 4998139 NPXYACAXBQWHFK-CYBMUJFWSA-N 397.431 3.644 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1 5517397 XYYTZRSMIPHOCY-MRXNPFEDSA-N 375.350 3.972 0 40 GHAB CCN1CCN(c2nc(-n3nc(C)cc3C)nc3sc4c(c23)CCCC4)CC1 5560862 UJPVRVXBEJKYSY-UHFFFAOYSA-N 396.564 3.515 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 5655287 TXFRKUKYKDTADV-IRXDYDNUSA-N 379.456 3.864 0 40 GHAB CCOc1ccccc1NS(=O)(=O)c1c(F)cc(F)cc1Br 6316698 BZIVQKVASWGMDM-UHFFFAOYSA-N 392.221 3.927 0 40 GHAB COc1ccc(CNC(=O)CSc2nnc(Nc3ccccc3)s2)cc1 6560266 GEJICUPTKOWQFW-UHFFFAOYSA-N 386.502 3.699 0 40 GHAB Cc1cccc(-c2nnc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)o2)c1 6846991 IGPRELRHBPRPDL-GOSISDBHSA-N 395.484 3.737 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 6945279 DQQBCWSPRCEVQU-GOSISDBHSA-N 388.533 3.804 0 40 GHAB COc1cccc(NC(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)c1 7023690 UUHUIAWCGBGTND-UHFFFAOYSA-N 391.452 3.772 0 40 GHAB CCOC(=O)Cn1c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 7545156 ZDUVBYSPTXUQOG-AWEZNQCLSA-N 397.862 3.773 0 40 GHAB CCc1ccc(-c2csc(NC(=O)Cn3c(=O)cnc4ccccc43)n2)cc1 7983222 SFWDMCBLKUBRAZ-UHFFFAOYSA-N 390.468 3.721 0 40 GHAB CC(=O)Nc1ccc(SCC(=O)OCC(=O)c2ccc(Cl)s2)cc1 8036329 IHYDRUOCSFOBAE-UHFFFAOYSA-N 383.878 3.878 0 40 GHAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1 8412851 ZYAJOKZLQODPCE-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB Cn1c(Cc2ccccc2)nnc1SCCCOc1ccccc1C(=O)O 8731728 CNCAJFQREKXWGF-UHFFFAOYSA-N 383.473 3.665 0 40 GHAB CC(=O)Nc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 8754671 AHNRTNOETVRAJN-UHFFFAOYSA-N 385.851 3.606 0 40 GHAB Cc1ccc(N(Cc2ccccc2)C(=O)Cn2cnc3ccccc3c2=O)cc1 9579169 PRDOIACVHFZYBV-UHFFFAOYSA-N 383.451 3.938 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2)nc2c(oc3ccccc32)c1=O 9752114 AVSDRLFFNDMUOM-UHFFFAOYSA-N 379.441 3.893 0 40 GHAB CCOc1ccc(-c2noc(-c3nnn(-c4cc(Cl)ccc4C)c3N)n2)cc1 10273108 XGNXWXHZEOXPEP-UHFFFAOYSA-N 396.838 3.927 0 40 GHAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2c(Cl)cccc2Cl)NC(=O)N1C 10354105 PCWPXBJACXGADG-HNNXBMFYSA-N 395.246 3.899 0 40 GHAB Cc1cc(OCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)ccc1Cl 11083468 YRXBYUFKVJRJSM-UHFFFAOYSA-N 383.879 3.931 0 40 GHAB O=C1CC2(CCCCC2)C(=O)N1CC(=O)N(Cc1ccccc1)c1ccccc1 11228937 BKZNVCYBIHMZQG-UHFFFAOYSA-N 390.483 3.929 0 40 GHAB COc1ccc2nc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)sc2c1 11332464 SKPAQMZLFGERDZ-ZDUSSCGKSA-N 381.457 3.835 0 40 GHAB Cc1nc(C)n([C@H](C)CC(=O)N[C@H](Cc2ccsc2)c2ncccc2C)n1 12229481 KKFQEKHKMFTFCO-RDTXWAMCSA-N 383.521 3.711 0 40 GHAB Cc1ccc(-c2noc(CN(C)Cc3ccccc3N3CCOCC3)n2)cc1 12523035 IFZOBOLWGSJXQG-UHFFFAOYSA-N 378.476 3.514 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 12605420 HEWGAODMODMIBF-OAHLLOKOSA-N 388.489 3.511 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1OC 13581374 VVPYTJWHOFWJSU-UHFFFAOYSA-N 396.896 3.631 0 40 GHAB COc1ccc(C(=O)[C@@H](Sc2nnc(C)c(O)n2)c2ccc(OC)cc2)cc1 13598109 OPGXGCXGAUCDNN-SFHVURJKSA-N 397.456 3.619 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)s1 13696328 VYXJHNWZTBTNHX-UHFFFAOYSA-N 390.530 3.937 0 40 GHAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(Br)c1 14139706 UYEPKXFTEBBFGN-CYBMUJFWSA-N 397.294 3.532 0 40 GHAB O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1ccc(F)cc1 14195457 DDBBBELIUBOXEY-UHFFFAOYSA-N 382.266 3.893 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@H]1c1nnc2ccccn12 14242181 RPVDVGZLRMAFNX-AWEZNQCLSA-N 391.258 3.779 0 40 GHAB C[C@@H](NC(=O)c1nc(N2CCCCC2)ncc1Br)c1ccccc1 15083965 OBKTVIJOSPGXHS-CYBMUJFWSA-N 389.297 3.720 0 40 GHAB CC(C)COc1ccc(-c2nc3s/c(=C/c4ccc(F)cc4)c(=O)n3n2)cc1 16728844 TZVGAGPBPXJLPE-WOJGMQOQSA-N 395.459 3.540 0 40 GHAB CCNC(=S)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 19312263 FMEBXKDKHGWBLD-UHFFFAOYSA-N 375.488 3.566 0 40 GHAB O=C1NCCN(C(=O)C2CCCC2)C[C@@H]1Cc1ccc(-c2ccccc2F)cc1 19368387 IFEFSXAKTUCHGL-FQEVSTJZSA-N 394.490 3.800 0 40 GHAB CCN(CC)CCNCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 19370709 IGLCYDGWHBEFPK-UHFFFAOYSA-N 377.916 3.754 0 40 GHAB CC(C)N1CCC[C@H](CNC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 19447924 ANHMRFJZEUJOLT-QGZVFWFLSA-N 389.503 3.542 0 40 GHAB CN1CCN(Cc2ccncc2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19589486 PMNWWGNYOVQZPY-NRFANRHFSA-N 391.540 3.943 0 40 GHAB O=C1[C@@H](C2CCN(Cc3cccnc3)CC2)CC=CCN1Cc1ccccc1 19695794 NNGZJSZCSFUYEE-HSZRJFAPSA-N 375.516 3.899 0 40 GHAB C[C@H]1CCCC[C@H]1N1CCN(C(=O)COc2ccc(Br)cc2)CC1 19842052 JMCNWSNSAWRKBD-MAUKXSAKSA-N 395.341 3.551 0 40 GHAB COc1ccc(SCC(=O)NCc2ccc(OC(C)C)cc2)cc1OC 20459060 ZASGIRACLOSIBC-UHFFFAOYSA-N 375.490 3.900 0 40 GHAB C[C@@]12NC(=O)N[C@@H](c3cc(Cl)ccc3O1)[C@@H]2C(=O)Nc1ccc(Cl)cc1 20641286 NJQDQVXNJCPJCB-RVKKMQEKSA-N 392.242 3.711 0 40 GHAB COc1ccccc1OC[C@@H](O)CN(Cc1cccc(F)c1)Cc1ccco1 20720287 YRQRPAZVPWHWIZ-IBGZPJMESA-N 385.435 3.869 0 40 GHAB CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2ccccc21 20735743 CQOCREQZOGCNJH-FQEVSTJZSA-N 378.819 3.780 0 40 GHAB CCOC(=O)Nc1cccc(O[C@@H](C)C(=O)Nc2cc(OC)cc(OC)c2)c1 22473295 PANYPZHAWHVMNG-ZDUSSCGKSA-N 388.420 3.678 0 40 GHAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)Nc1ccc(Cl)cc1 23106126 UUARBESDCOTSOU-SFHVURJKSA-N 377.847 3.674 0 40 GHAB O=C(Cc1ccccc1Cl)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 24808558 SUSSTSSPKXXNGB-UHFFFAOYSA-N 383.801 3.645 0 40 GHAB COc1ccc(SCc2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 26045711 QDQAFMVPFXLWEE-UHFFFAOYSA-N 389.477 3.908 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)Nc1cccc(OC2CCCC2)c1 28260292 NAFPLCAQYBHPQU-UHFFFAOYSA-N 381.475 3.657 0 40 GHAB COC(=O)c1cc(NS(=O)(=O)c2c(C)cc(OC)cc2C)ccc1Cl 29048075 UQJVUFFYUHMKPB-UHFFFAOYSA-N 383.853 3.553 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 31494162 SPGJKLUQWBJWCE-UHFFFAOYSA-N 385.370 3.992 0 40 GHAB Cc1ccc(S(=O)(=O)c2ccc(CSc3nnnn3C(C)C)cc2)cc1 32329964 FZHIMRUJDHLLCR-UHFFFAOYSA-N 388.518 3.688 0 40 GHAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1ccccc1)N2c1cccc(Cl)c1 32640609 NNVVUKJZHWGQQI-DLBZAZTESA-N 392.933 3.615 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(-n2cnc3ccccc32)nc1 32777701 YBLVUDSTHNLGMC-UHFFFAOYSA-N 386.411 3.721 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)OC(=O)c1cc(Br)ccc1F 32986311 INJMDDPRRFOOPN-GRYCIOLGSA-N 386.261 3.923 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 33146320 ONVNMFWLTGVAEM-OAHLLOKOSA-N 392.908 3.688 0 40 GHAB C[C@@H]1Oc2ccccc2N([C@H](C)C(=O)N[C@@H](C)c2nc3ccccc3s2)C1=O 36734654 YEDRQXILIRWZMU-MJBXVCDLSA-N 395.484 3.676 0 40 GHAB O=C(CSc1ccc2c(c1)CCC2)N1CCC(c2nnc3ccccn23)CC1 39983240 GPGHWKGSTYVEKA-UHFFFAOYSA-N 392.528 3.716 0 40 GHAB COc1ccc(Oc2ccc(CNC(=O)CCc3c(C)noc3C)cn2)cc1 40142406 KUYJREFXVDSONC-UHFFFAOYSA-N 381.432 3.736 0 40 GHAB O=C(CC1(Cn2cnc3ccccc3c2=O)CCCCC1)NCc1ccco1 40267151 SAXSREZWPBZOLN-UHFFFAOYSA-N 379.460 3.647 0 40 GHAB CCOc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 42646621 HAHBIAQWSGYXGA-UHFFFAOYSA-N 388.467 3.972 0 40 GHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCOCC2)cc1 44855421 SYJXXSLIEOCCPG-NRFANRHFSA-N 394.515 3.859 0 40 GHAB COCCN(Cc1ccco1)Cc1nc(-c2cccc(Br)c2)no1 46062136 UVXHAPCASBUSLR-UHFFFAOYSA-N 392.253 3.741 0 40 GHAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccccc2Br)c1 48333220 XHXMMCYPTIZAKM-CYBMUJFWSA-N 389.293 3.907 0 40 GHAB COc1ccc(CNCc2ccc(CN3CCN(C)CC3)cc2)c2ccccc12 48783015 SMKPBDSFGPSUCM-UHFFFAOYSA-N 389.543 3.886 0 40 GHAB CCOc1cccc(CNC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364594 HVIMDWHTOTYCSM-FQEVSTJZSA-N 388.467 3.922 0 40 GHAB C[C@@H]1CCCN(C(C)(C)CNC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C1 54805094 PEBBLOZXCGOYMC-QGZVFWFLSA-N 397.567 3.962 0 40 GHAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2c(Cl)nc3ccccn23)o1 54828637 XEUDSJVLXGSLPM-WCQYABFASA-N 379.869 3.525 0 40 GHAB CCc1ccc(OCC(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1 57313127 VGCKGUCVJDRHJW-UHFFFAOYSA-N 393.472 3.741 0 40 GHAB O=C(CNC(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1 57364152 MCMXCXACIVKGAE-UHFFFAOYSA-N 385.511 3.714 0 40 GHAB Cc1nn2c(nc(NCc3ccc4c(c3)CC(=O)N4)c3ccccc32)c1Cl 58442125 ASOHLGKVRNZJNO-UHFFFAOYSA-N 377.835 3.951 0 40 GHAB O=c1[nH]c(CNc2ccc(Br)cc2)nn1Cc1ccc(Cl)cc1 61720414 PZKXSKKQXFKLLM-UHFFFAOYSA-N 393.672 3.648 0 40 GHAB FC(F)(Cl)c1nnc2sc(Cc3csc(-c4ccccn4)n3)nn12 61721115 XMTBWHSIXNQCSZ-UHFFFAOYSA-N 384.824 3.583 0 40 GHAB COC(=O)c1ccccc1NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 69148129 LEDYGRWFSHNPJK-UHFFFAOYSA-N 380.400 3.708 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70640122 SKRCFMPRGDXYDU-OAHLLOKOSA-N 393.814 3.512 0 40 GHAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)[C@H]2C[C@H]2C)C1 72388988 LTZSBJXRIKQKHE-ICPLQIHGSA-N 396.556 3.968 0 40 GHAB CCc1nnc(-c2ccc(NC(=O)c3ccc4c(c3)CCCC(=O)N4)cc2)o1 83834319 XCSMXDFRVNNMHK-UHFFFAOYSA-N 376.416 3.826 0 40 GHAB C[C@H]1C=CC[C@@H]2C(=O)N(c3cccc(OCC(=O)c4ccc(F)cc4)c3)C(=O)[C@H]12 95396964 YXIFIIUDIISTQZ-ONTRVFCTSA-N 393.414 3.789 0 40 GHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NNc1ccccc1C(F)(F)F 95956181 KIODSNGBYPIYHN-CQSZACIVSA-N 387.402 3.938 0 40 GHAB CCN(CC)CCSc1nc2ccccc2c(=O)n1CCCOC(C)C 96003411 AXBOVBMPSVFLTL-UHFFFAOYSA-N 377.554 3.646 0 40 GHAB Cc1nc(-c2ccc(NC(=O)N[C@H](CO)Cc3ccc(O)cc3)cc2)cs1 96013182 MJKVTJULRKKXIY-KRWDZBQOSA-N 383.473 3.549 0 40 GHAB O=C1C[C@H](c2cccc3nccnc23)c2c(ccc3nn(-c4ccccc4)nc23)N1 96117064 HQRCNDNBNFIIEI-MRXNPFEDSA-N 392.422 3.838 0 40 GHAB Cc1ccc(CN2CCC3(CC2)C[C@@H](NC(=O)c2cccs2)CO3)cc1C 96221255 FDZYUJSYTXGNBV-LJQANCHMSA-N 384.545 3.918 0 40 GHAB CCc1cccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3cccs3)C2)c1 96227694 HYSWCVSBPHBIJR-NQIIRXRSSA-N 383.517 3.871 0 40 GHAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21)NC1CCC1 96242137 MRQNOZOBSSDFNU-GOSISDBHSA-N 392.499 4.000 0 40 GHAB C[C@@H](O)CNCCNCc1c(OCc2ccccc2F)ccc2ccccc12 96318712 BYZCABOZJYWBFR-QGZVFWFLSA-N 382.479 3.618 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211848 CGGUBBAEXIDHLX-UHFFFAOYSA-N 386.908 3.683 0 40 GHAB C[C@]12CC[C@@H](C[C@@H]1C(=O)N1CCCCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 100178400 HTMJBABCXCNWJE-DTJFYBITSA-N 382.504 3.734 0 40 GHAB COc1ccccc1CN1[C@H]2CCC[C@H]1CC(NC(=O)Cc1ccccc1)C2 100425901 XWFPOWKBHQSEEQ-VXKWHMMOSA-N 378.516 3.940 0 40 GHAB CNC[C@H]1CC[C@H](c2cc(CN(C)Cc3cccc(C)c3OC)n(C)n2)CC1 100687693 CKNKAPYOBBTTQN-KDURUIRLSA-N 384.568 3.862 0 40 GHAB Cc1ccc(C(=O)Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1 100744005 DAXNLRPFFBIFNM-FVCZOJIISA-N 375.424 3.750 0 40 GHAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN(C)C[C@@H](O)c1ccc(O)cc1 105373609 DNZIKYSLYLRNLJ-MMUOCADFSA-N 399.531 3.816 0 40 GHAB biogenic CC(C)C[C@H]1COCCN1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 175590301 CXLRKFGFIVDOSY-NRFANRHFSA-N 395.503 3.895 0 40 GHAB NC(=S)[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 218650381 KLHKVLKRGVHTAK-KKUMJFAQSA-N 386.325 3.835 0 40 GHAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 223661369 XGDZPZVDTATTLY-UHFFFAOYSA-N 389.473 3.686 0 40 GHAB O=C(COc1ccc(Br)cc1Cl)NCCOCc1ccccc1 224262729 PNMRHJPVWQHMEU-UHFFFAOYSA-N 398.684 3.814 0 40 GHAB CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 224938307 PWKLRFHNIYYQMJ-UHFFFAOYSA-N 388.272 3.980 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(OC)c(OCC)c2)c1 225771015 UYZAFSRKPIZAKU-UHFFFAOYSA-N 388.489 3.757 0 40 GHAB O=C(c1ccc(Br)cc1)N1CC[C@H](N2CCc3ccccc3C2)C1 238934031 VIGJAYYCTYTHJJ-IBGZPJMESA-N 385.305 3.722 0 40 GHAB CN1[C@@H]2CN(C(=O)c3cc(-c4ccccc4F)n[nH]3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257300131 RTAKFIRPCHGYAI-SHXMKPCDSA-N 382.483 3.693 0 40 GHAB CO[C@@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@]12CCCO2 257300658 RVFCIHDRPAJQOS-GGAORHGYSA-N 396.487 3.687 0 40 GHAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)n1 257336810 YQCYUOWBNGRTAQ-KRWDZBQOSA-N 398.470 3.743 0 40 GHAB O=C(C(=O)N1CCCC1)c1cn(CCOc2ccccc2F)c2ccccc12 408577393 ZEQTWEAZGIPYDX-UHFFFAOYSA-N 380.419 3.665 0 40 GHAB Cc1cccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c1 408628275 VURBWUZMTIFYCY-UHFFFAOYSA-N 378.453 3.809 0 40 GHAB Cc1ccc(N2C(=O)S/C(=C\c3cn(CC(N)=O)c4ccccc34)C2=O)cc1 409142606 AKIPYDYNCKRUNA-ZDLGFXPLSA-N 391.452 3.676 0 40 GHAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccncc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409352397 YSDQEZCFTNNIMK-HBUWYVDXSA-N 383.414 3.997 0 40 GHAB O=C(CSc1nnc(COc2ccccc2F)o1)Nc1ccccc1F 409384377 APFPVMNZFCRUQD-UHFFFAOYSA-N 377.372 3.658 0 40 GHAB O=S(=O)(c1cccc(Br)c1)N1CCC[C@@H](Oc2ccccc2)C1 500116738 VLYDCIFZHGLVMC-MRXNPFEDSA-N 396.306 3.681 0 40 GHAB COc1ccc(CCC(=O)NC[C@@H](c2cccs2)n2nc(C)cc2C)cc1 575610469 NOODNFYMRALKFA-IBGZPJMESA-N 383.517 3.908 0 40 GHAB COc1cc(C(=O)N2[C@H](c3ccccc3)CC[C@@H]2C(=O)O)ccc1OC(F)F 621586704 JYZNLKIBEHUIHJ-LSDHHAIUSA-N 391.370 3.727 0 40 GHAB Cn1cnc(CCNC(=O)N2CCC[C@@]2(C)Cc2cccc3ccccc23)c1 665108197 DTLRANKMTFLHOY-QHCPKHFHSA-N 376.504 3.923 0 40 GHAB CC[C@H](Nc1ncnc2ccc(I)cc12)[C@@H]1CCCOC1 1163983851 MGSFEQBOQHMDRL-RISCZKNCSA-N 397.260 3.852 0 40 GHAB CC(=O)c1c(C)cc(NC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)cc1C 1593632365 WGNPJUVTQALBOU-HZPDHXFCSA-N 381.476 3.767 0 40 GHAB Cn1cc(Cl)cc1C(=O)N1CCCCC[C@@H](Nc2ncc(Cl)cn2)C1 1615612383 XWEUBJWIVVDJKR-CQSZACIVSA-N 382.295 3.619 0 40 GHAB Cc1c(S(=O)(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)sc2cccc(F)c12 1665228903 RLYIBSLRVKVQTP-BLLLJJGKSA-N 393.505 3.792 0 40 GHAB COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1OC 809567 ANMPUWJNWDXETM-UHFFFAOYSA-N 384.413 3.808 0 40 GHAB COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCC(C)CC3)n12 928530 WPLDYZMCAOTJJH-UHFFFAOYSA-N 384.505 3.550 0 40 GHAB CCCc1cc(=O)oc2cc(OC(=O)CCNC(=O)OC(C)(C)C)ccc12 2093072 RRMYXTSWILHSSR-UHFFFAOYSA-N 375.421 3.566 0 40 GHAB biogenic COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 2312401 PBNOLXFGMFOWLU-XMMPIXPASA-N 387.435 3.703 0 40 GHAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(N(C)C)cc1 2447795 YKWVPJAOMGXJIM-IBVKSMDESA-N 376.437 3.840 0 40 GHAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1 2468178 GSRFZTXDGSIHNA-UHFFFAOYSA-N 395.484 3.991 0 40 GHAB Cc1ccc2nc(CSc3nnc4sc5ccccc5n34)cc(=O)n2c1 2624018 VNFNOJHTIKVRAM-UHFFFAOYSA-N 379.470 3.553 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1cccc(Cl)c1Cl 3425041 ZJSRMEZZYWUYST-UHFFFAOYSA-N 398.290 3.967 0 40 GHAB CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(Br)c1 4008705 HNEFFLUIHNXNTA-CQSZACIVSA-N 385.233 3.559 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)Nc3ccccc3Cl)cc2c1 4231327 CUKQVIFQBVXVMK-UHFFFAOYSA-N 399.878 3.906 0 40 GHAB COc1ccc(-c2nnc3sc(-c4ccc(N(C)C)cc4)nn23)cc1OC 4414485 OAPCHXDMQVWTGS-UHFFFAOYSA-N 381.461 3.603 0 40 GHAB CCc1ccc(OCc2nnc(SCC(=O)NC(C)C)n2CC(C)C)cc1 4469274 WJGRYAGRPQZPLY-UHFFFAOYSA-N 390.553 3.692 0 40 GHAB CCOc1cc(-c2nnc(NC(=O)C(C)(C)C)o2)cc(OCC)c1OCC 4479408 KEYSOMIGYKHBSB-UHFFFAOYSA-N 377.441 3.917 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccncc2)c(C)c1 4854688 BHYXASCHJPIHRK-UHFFFAOYSA-N 395.532 3.810 0 40 GHAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc3ncc(Br)cn3n2)C1 4870134 VHYZLAGZYHZDME-SJKOYZFVSA-N 377.286 3.533 0 40 GHAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)nn1 5204286 OBBRWLNNBMYICU-UHFFFAOYSA-N 389.864 3.997 0 40 GHAB CN(C)CCn1cnc2c(c1=N)[C@H](c1ccco1)c1c(ccc3ccccc13)O2 5346412 BDYDOCCRCJCIQC-HXUWFJFHSA-N 386.455 3.956 0 40 GHAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCC(C)CC4)c(=O)c23)s1 5352035 BIIQLXGXNLZQMR-UHFFFAOYSA-N 387.530 3.753 0 40 GHAB COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1c(C)cc(C)cc1C)CC2 5427909 CLLAJLWLBDXQIJ-INIZCTEOSA-N 389.517 3.937 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)COc2ccc(Cl)c(C)c2)cc1 5993967 JYIGNBKDDIOAMR-AWEZNQCLSA-N 389.835 3.800 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccccc3)o2)n1 6054645 FTDOGYMZLHQMMY-UHFFFAOYSA-N 391.460 3.848 0 40 GHAB Cc1c(CC(=O)N[C@H](C)C(=O)O)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 6075910 MSAREGPJKYRNTH-GFCCVEGCSA-N 399.443 3.585 0 40 GHAB biogenic Cc1c(O)ccc2c(CSc3nnc(-c4ccccc4)n3C)cc(=O)oc12 6139797 MCNLENOIVJRBOC-UHFFFAOYSA-N 379.441 3.895 0 40 GHAB CC(=O)COC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 6304068 YABNSEBMJRWHJG-UHFFFAOYSA-N 392.194 3.540 0 40 GHAB NC(=O)N[C@@H](CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1 6590614 IJNGTFWIHRASCX-SFHVURJKSA-N 386.883 3.678 0 40 GHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc1 6880299 XOEWDKXGBLJPTH-UHFFFAOYSA-N 398.887 3.739 0 40 GHAB COc1ccccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 7014777 LKTWOHPECCPVIU-UHFFFAOYSA-N 378.428 3.851 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)c2ccc(OC(F)F)cc2)CC1 7107212 UEINHFWQKOVENC-UHFFFAOYSA-N 375.419 3.682 0 40 GHAB CC(C)[C@@H](N[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 7255768 PILWGXDCBMTIIU-PGRDOPGGSA-N 381.520 3.837 0 40 GHAB COc1ccccc1CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 7376381 DYUMYTWABWJDPK-UHFFFAOYSA-N 379.787 3.846 0 40 GHAB Cc1cc(C(=O)CCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(C)s1 7736915 JSXFTOFUMOTYGU-UHFFFAOYSA-N 385.533 3.718 0 40 GHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 8192704 DIUGPXFQHYOSHD-HSZRJFAPSA-N 376.456 3.605 0 40 GHAB CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 8706825 WSUWIGJXLICAOJ-SFHVURJKSA-N 381.520 3.969 0 40 GHAB O[C@@H](COCc1ccccc1Cl)CSc1nncn1-c1ccccc1 8780416 DFJWJEGBPNRHLO-INIZCTEOSA-N 375.881 3.591 0 40 GHAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 8917587 DDWMZWONWYTMTP-UHFFFAOYSA-N 383.835 3.845 0 40 GHAB Cc1nc2c(=O)n(CC(=O)Nc3ccccc3C)nc(-c3cccs3)c2s1 8955976 NXPUSIFLNABTGV-UHFFFAOYSA-N 396.497 3.837 0 40 GHAB Cc1c(C(=O)OC(C)C)cnc2nc(SCc3cccc(Cl)c3)nn12 9926666 NNEVFEYPUSZAOO-UHFFFAOYSA-N 376.869 3.944 0 40 GHAB C[C@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(S(C)(=O)=O)cc1 10205404 IDHXGEZTMGGJFH-NSHDSACASA-N 375.475 3.583 0 40 GHAB COc1cc(OC)cc(-c2nn3c(COc4ccc(C)cc4)nnc3s2)c1 10311972 GTUKPTJGCCUWJG-UHFFFAOYSA-N 382.445 3.757 0 40 GHAB COc1cc(CC(=O)NCc2ccc(COCC(F)(F)F)cc2)ccc1C 11484282 VGIHXQCQNNZGOZ-UHFFFAOYSA-N 381.394 3.941 0 40 GHAB COc1cc(C(=O)O)cc(Br)c1OCCOc1ccc(C)cc1 11962395 ZFUYQCVCFXYHMA-UHFFFAOYSA-N 381.222 3.922 0 40 GHAB CCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(Cl)cc2Cl)c1 12521182 CXSDZOFKQZDKHV-UHFFFAOYSA-N 387.288 3.685 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1cn2cc(Cl)ccc2n1 12628082 XXIKBLQJQWNCCF-KUHUBIRLSA-N 399.878 3.876 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1nnc(-c2ccccc2)s1 12763340 GPXQACDDANARPC-UHFFFAOYSA-N 378.457 3.513 0 40 GHAB O=C(CNc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CC1 12872326 OXMPCLWUWCRKHL-UHFFFAOYSA-N 378.259 3.936 0 40 GHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCSc2ccccc21 12889579 GSTZJOHQFYBQBO-KRWDZBQOSA-N 379.485 3.599 0 40 GHAB CC(C)(C)c1cc(NC(=O)COC(=O)/C=C/c2cccc3cccnc23)on1 12927661 IZKOMBJOLIQUQB-MDZDMXLPSA-N 379.416 3.715 0 40 GHAB Cc1cnc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)cn1 12987527 XKBICTMZMTVCIG-UHFFFAOYSA-N 383.455 3.910 0 40 GHAB Cc1nc2c(=O)n(CC(=O)Nc3c(C)cccc3C)nc(-c3ccco3)c2s1 13010562 VHGQIVBCXJLIAI-UHFFFAOYSA-N 394.456 3.677 0 40 GHAB CCC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(C(C)C)c1ccccc12 13635233 FFEUMMRKXNFAKI-XMMPIXPASA-N 387.483 3.961 0 40 GHAB COc1ccc(NC(=O)NCCC(=O)N[C@H]2CCSc3ccccc32)cc1 14306283 YKHASPIOFDOGDT-KRWDZBQOSA-N 385.489 3.560 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccoc1 16200693 ZJEBFJDZITUDPS-UHFFFAOYSA-N 376.821 3.986 0 40 GHAB Cc1ccc(C(=O)COc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 18241559 DHEWSLRQMFBQOL-PMACEKPBSA-N 375.424 3.712 0 40 GHAB CCCC(=O)N1CCC[C@](Cc2ccc(-c3ccncc3)cc2)(C(=O)NCC)C1 19501207 NYIPJUIMFZCDPF-XMMPIXPASA-N 393.531 3.836 0 40 GHAB CN1CCN(C(=O)c2ccccn2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19589432 VANCSVXWHLBFES-QFIPXVFZSA-N 399.494 3.522 0 40 GHAB Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCc1nc(Cc2ccccc2)no1 19660795 XKUAWQULTIYAHO-UHFFFAOYSA-N 388.471 3.926 0 40 GHAB CNc1cc(C(=O)N2CCCCC[C@@H]3[C@@H]2C[C@@H](Cc2ccccc2)N3C)ccn1 19712919 JAKYTVZZWFFIBC-VSKRKVRLSA-N 392.547 3.824 0 40 GHAB COc1ccc(CCC(=O)NCCSCc2ccccc2F)cc1OC 20459469 ODBWAGJVVXKOCO-UHFFFAOYSA-N 377.481 3.825 0 40 GHAB O=C1Nc2ccc(F)cc2[C@@]12CC(O)=Nc1c2cnn1-c1ccccc1Cl 20727361 PQDFRVMHMQHKEW-LJQANCHMSA-N 382.782 3.895 0 40 GHAB COc1cc(C)ccc1OCCSc1nnc(-c2ccc3c(c2)OCO3)o1 21787797 AVYUQPNXCJLELD-UHFFFAOYSA-N 386.429 3.953 0 40 GHAB CCn1cc(C(=O)Nc2ccc(OC)c(OC)c2)c(=O)c2cc(Cl)ccc21 22234904 IEIVVCQWXFGGNT-UHFFFAOYSA-N 386.835 3.944 0 40 GHAB CCOC(=O)c1c(CN2CCOCC2)nc2ccccc2c1-c1ccccc1 23750266 UBFYKWUPNUXRBR-UHFFFAOYSA-N 376.456 3.911 0 40 GHAB O=C(c1ccc(Cn2cncn2)cc1)N1CCCc2cc(C(F)(F)F)ccc21 24472835 IDOBOSBCIOBIEL-UHFFFAOYSA-N 386.377 3.938 0 40 GHAB O=C(c1csc2c1CCCC2)N1CCN(Cc2ccc3c(c2)CCO3)CC1 27142954 AELCNJRYYZAMDQ-UHFFFAOYSA-N 382.529 3.520 0 40 GHAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1c(OC)ccc2ccccc12 28465954 DKHGVTJJOWYTAY-IBGZPJMESA-N 396.468 3.672 0 40 GHAB NC(=O)c1ccc(CN(C(=O)Cc2cccc(C(F)(F)F)c2)C2CC2)cc1 29263510 CWCLGYXFSQVQSW-UHFFFAOYSA-N 376.378 3.538 0 40 GHAB O=C(NC[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(C(=O)c2cccs2)C1 30897927 WIEWSOHCSQTPPL-ZWKOTPCHSA-N 382.529 3.837 0 40 GHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc2c(c1)OCO2 31685082 FCNXQGLHNKRJNA-UHFFFAOYSA-N 379.397 3.922 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)c2O1 32910140 IMNXKWQFNQIUJM-UHFFFAOYSA-N 377.343 3.739 0 40 GHAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc3nccnc3c1)CC(O)=N2 36353941 KVBDNPHCGZXPIL-GFCCVEGCSA-N 391.822 3.691 0 40 GHAB CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cn1 36391237 MIBPUWYCKZTTSK-HNNXBMFYSA-N 375.900 3.973 0 40 GHAB Cc1cc(C(=O)N2CCN(Cc3csc(Cc4ccccc4)n3)CC2)c(C)o1 40153692 HYJKAQVGRNFCOO-UHFFFAOYSA-N 395.528 3.902 0 40 GHAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)/C=C/c1ccc(OC(F)F)cc1 40159586 LIZOZNKYJQBSNC-XLNAKTSKSA-N 389.398 3.990 0 40 GHAB CCOc1ccc(-c2ccc(=O)n(CCC(=O)N[C@H](C)c3ccccc3)n2)cc1 41254376 CSTUNBYMECQQDE-QGZVFWFLSA-N 391.471 3.577 0 40 GHAB COc1ccccc1O[C@@H](C)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875419 IRGWMRNEUDWEST-SFHVURJKSA-N 382.504 3.765 0 40 GHAB Cc1ccc(NC(=O)Cn2cnc3c(sc4ncccc43)c2=O)cc1Cl 46053292 WDJWWEIQJBXYHQ-UHFFFAOYSA-N 384.848 3.607 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1Cl 48278995 RYYPVIFCBDPMED-KBPBESRZSA-N 395.908 3.697 0 40 GHAB Cc1ccc2nc(NC(=O)Cn3cnc(-c4cccs4)cc3=O)sc2c1 49028273 SOBZEMQJDPARCF-UHFFFAOYSA-N 382.470 3.529 0 40 GHAB Cc1noc([C@@H]2CCCN(C(=O)COC(c3ccccc3)c3ccccc3)C2)n1 54121510 JMSUBNQCTXUUKN-HXUWFJFHSA-N 391.471 3.890 0 40 GHAB COc1ccc([C@H](NCC(=O)NC(=O)NC2CCCCC2)c2ccccc2)cc1 58169432 CVQYWXGLZYQXHN-JOCHJYFZSA-N 395.503 3.533 0 40 GHAB O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1cccc(-c2nccs2)c1 58201023 WZCKMRVSJQCOQZ-UHFFFAOYSA-N 379.441 3.712 0 40 GHAB O=C(Cn1ccccc1=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 58414374 MYLFIDVJQSXWJK-HXUWFJFHSA-N 397.272 3.517 0 40 GHAB Cc1cccc(NC(=O)CCc2nc(-c3cc4ccccc4[nH]c3=O)no2)c1C 64790011 CUMLYWYIPNOCAK-UHFFFAOYSA-N 388.427 3.766 0 40 GHAB O=C(N[C@@H]1CCc2ccccc21)c1cc(=O)[nH]c2ccc(Br)cc12 71328476 FYXILWZEVGMGAU-MRXNPFEDSA-N 383.245 3.708 0 40 GHAB CCCC(=O)Nc1nc(-c2ccc(OCC)c(OCC)c2)c(CC(=O)O)s1 85397438 SPUCDQBZPPNRIN-UHFFFAOYSA-N 392.477 3.973 0 40 GHAB Cc1cc(-n2nc(C)cc2NS(=O)(=O)c2cccc(C(C)C)c2)nc(C)n1 95964383 MAKHMKLFHCDCCP-UHFFFAOYSA-N 385.493 3.512 0 40 GHAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)nn1C(C)(C)C 95980229 YAYAUAUDKQNVMH-OAHLLOKOSA-N 384.528 3.777 0 40 GHAB Cc1ccc(COC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 96448476 VDDIFUBLBGVIOM-XSFVSMFZSA-N 386.411 3.983 0 40 GHAB O=C(CCCc1ccccc1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211874 XPWDBFRCXWYIDE-UHFFFAOYSA-N 380.517 3.810 0 40 GHAB O=C(NCc1ccccc1)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O 100672418 ZYZUAQLVMSHJQB-UHFFFAOYSA-N 384.435 3.685 0 40 GHAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)NC1CC1 104305801 DTHQCHBNYLXONF-OWBHPGMISA-N 388.423 3.750 0 40 GHAB CC[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 218985510 OTLIAFHZDFCCDQ-IBGZPJMESA-N 375.490 3.758 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220725903 DCTCFOAQPPIZJY-CYBMUJFWSA-N 395.438 3.571 0 40 GHAB CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)cc1 222750221 YAGYORZVFHMVIW-WOJBJXKFSA-N 377.517 3.541 0 40 GHAB C[C@@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)Cc1ccccc1 222762443 SPEVANLJPODVBA-SFHVURJKSA-N 376.456 3.556 0 40 GHAB Cc1cccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223129957 HJOCWTQQAYMIDO-IBGZPJMESA-N 396.531 3.748 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C 223683067 TYNHNLWPOREISU-INIZCTEOSA-N 388.895 3.581 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 224209742 RVTUXLHUPAQXOE-JOCHJYFZSA-N 396.531 3.934 0 40 GHAB CCOC(=O)c1cc(NS(=O)(=O)c2cc(C)c(OC)cc2C)ccc1Cl 224445781 MGYIVBPAUBOHBW-UHFFFAOYSA-N 397.880 3.943 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)cc1 224483471 OZKXVMXUNXTSLV-LJQANCHMSA-N 396.531 3.736 0 40 GHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1Cl 224768295 VRNYRXBWXUMSMW-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(OC)cc1 225123284 GVTZYQBJIZUJSF-RBUKOAKNSA-N 396.531 3.878 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 225555109 ZCCZMPTZMGPYQU-MRXNPFEDSA-N 388.895 3.661 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(Cl)cc3F)n2)c1 225628915 RBFAIXAFMATLGB-UHFFFAOYSA-N 375.787 3.810 0 40 GHAB Cc1cnc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3C)CC2)cn1 257272705 NDMKDMJABYUTQA-QAQDUYKDSA-N 390.491 3.582 0 40 GHAB COc1cccc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2cccs2)c1 306139700 TXYROJXOXSRKAE-NHCUHLMSSA-N 393.512 3.640 0 40 GHAB COc1ccc(Cl)cc1NC(=O)C1CN(c2cc(-c3ccccc3)ncn2)C1 390828059 OCMUFXPQUGEKLI-UHFFFAOYSA-N 394.862 3.881 0 40 GHAB COc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1c(C)cc(C)cc1C 408987290 VYZAGEXWAULQMD-YLJYHZDGSA-N 387.501 3.988 0 40 GHAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1Cl 409142065 QDXWELCLSNEUTD-UHFFFAOYSA-N 393.679 3.564 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCN(C(=O)c2ccccc2)C1 623372868 JWNWDNWPIAEQBI-CQSZACIVSA-N 378.350 3.686 0 40 GHAB Cc1nc2cc(C(=O)N3CCC[C@H]([C@H]4CCCN4)C3)ccc2n1-c1ccccc1 645112525 MFEHFOPMJQNJDG-PZJWPPBQSA-N 388.515 3.938 0 40 GHAB Cc1cccc(Oc2cccc(NC(=O)CCc3nc(-c4nc[nH]n4)no3)c2)c1 1632638821 UNVSOPVQBCNNRY-UHFFFAOYSA-N 390.403 3.527 0 40 GHAB Cc1cccc(NC(=S)N(CCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 884845 UEYJEDYLLRZAFZ-UHFFFAOYSA-N 395.528 3.645 0 40 GHAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1 959118 AJNUVGPFKCLQCX-UHFFFAOYSA-N 393.409 3.718 0 40 GHAB O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1Cc1ccccc1 1175018 RDWFEYQLUKDSEW-RGEXLXHISA-N 396.537 3.925 0 40 GHAB O[C@@H]1CCCN(c2c3c(nc4cc(-c5ccc(Cl)cc5)nn24)CCCC3)C1 1341506 CQILNDNZQIGOTP-MRXNPFEDSA-N 382.895 3.890 0 40 GHAB CCOC(=O)[C@](NC(=O)c1ccccc1F)(Nc1ccccc1C)C(F)(F)F 2050595 JDVBYRWSGKRNDE-GOSISDBHSA-N 398.356 3.798 0 40 GHAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCC(=O)O 2183889 SBRRJCDMTOLRNI-NTUHNPAUSA-N 399.852 3.647 0 40 GHAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)Nc1ccc(F)cc1F 3312899 WAIAHRLMRJFAMJ-UHFFFAOYSA-N 375.158 3.649 0 40 GHAB O=C(/C=C/c1ccc(F)cc1)OCc1cc(=O)n2c(n1)sc1ccccc12 3457361 KBSCDLZESQXICZ-JXMROGBWSA-N 380.400 3.805 0 40 GHAB CC(C)n1nc(C(=O)Oc2ccc(Br)cc2)c2ccccc2c1=O 3550117 RXVLVYJJYVIFMC-UHFFFAOYSA-N 387.233 3.959 0 40 GHAB C[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H]3OC(C)(C)OC[C@]32C)[C@@]12CC[C@@](CO)(CCO)O2 3881321 VKCTYACKTCTDRG-VLBJDTNOSA-N 396.568 3.653 0 40 GHAB biogenic CCc1oc2cc(O[C@H](C)C(=O)O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 4023502 RTSZZDYBFBYOIY-GFCCVEGCSA-N 396.395 3.646 0 40 GHAB biogenic CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(OC(F)F)cc2)NC(=O)N1 4269765 VARSZOMMMDEHIM-KRWDZBQOSA-N 388.370 3.659 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)N1CCCCC1 4341636 IHVQJRNAPYGBQI-UHFFFAOYSA-N 387.896 3.574 0 40 GHAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 4373490 VGJMUOJJCABGCH-HXUWFJFHSA-N 389.459 3.913 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2)C1=O 4457078 DCEQEGDFLIBZKT-RFRKOGIWSA-N 384.457 3.774 0 40 GHAB O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)NCc1ccc(F)cc1 4494926 SSDYIKCYMPOYMU-UHFFFAOYSA-N 397.427 3.920 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 4649124 UGAXAEVUSXHIIN-LBPRGKRZSA-N 398.887 3.737 0 40 GHAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc4c(c3)OCC4)nnc12 4941476 GYTOKPMXHATETN-SZNDQCEHSA-N 381.501 3.956 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2Cl)c2c(C)cccc21 4988021 HFMYHDIFRMRUEX-OAQYLSRUSA-N 387.863 3.631 0 40 GHAB CC[C@@H](C)NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 4995732 QVMNHRDIQSKNQO-OAHLLOKOSA-N 394.924 3.758 0 40 GHAB Cc1cc2c(=O)n(C)c(SCC(=O)Nc3ccc(Cl)cc3)nc2s1 5017061 RUASLDNFJFQAKF-UHFFFAOYSA-N 379.894 3.688 0 40 GHAB COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)c1 5030272 AASFRLTVNOJVGZ-QGZVFWFLSA-N 394.349 3.854 0 40 GHAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)OCc1nc(-c2ccccc2)no1 5301250 ILSSBVWATPSBAO-GOSISDBHSA-N 394.431 3.626 0 40 GHAB CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)s1 5443148 VNPAHTOIVXKPAS-MRVPVSSYSA-N 388.312 3.819 0 40 GHAB Cc1nc2ccccc2n1CC(=O)Nc1cccc(I)c1 5627721 FSRIDUZVKSFIII-UHFFFAOYSA-N 391.212 3.588 0 40 GHAB Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3ccccn3)[C@@H]2c2cccs2)cc1 6590398 CUZUTSMOGWANEO-WIYYLYMNSA-N 391.496 3.862 0 40 GHAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2OC)cc1 6943893 QIPWJHRCSONKDW-UHFFFAOYSA-N 382.489 3.878 0 40 GHAB CNC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2CC(C)C)cc1 7030244 SEFXLUTUZCHBNQ-UHFFFAOYSA-N 396.516 3.783 0 40 GHAB O=C(NCCCn1cnc2ccccc21)c1ccc(Br)cc1F 7117867 CTYAAEDWTWJYER-UHFFFAOYSA-N 376.229 3.758 0 40 GHAB CCc1ccc(-c2n[nH]c(SCC(=O)N(C)Cc3ccccc3OC)n2)cc1 7294397 YWQFTKSQCAUJQD-UHFFFAOYSA-N 396.516 3.793 0 40 GHAB O=C(Nc1ccc(SC(F)F)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 7598206 UYTWDAUEJFFCAL-CQSZACIVSA-N 376.428 3.989 0 40 GHAB Cc1nnsc1C(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 7934576 CIWWEKGLBRGQPT-INIZCTEOSA-N 395.484 3.621 0 40 GHAB CC(C)COc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 8073773 MOWNXXIGVXLWSC-KRWDZBQOSA-N 396.487 3.883 0 40 GHAB COc1cc(C[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC 8110467 NHVIELFUIWIVCJ-KRWDZBQOSA-N 387.457 3.519 0 40 GHAB COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NN2CCCCC2)c1 8138669 JSKLFHSDINURRD-UHFFFAOYSA-N 390.487 3.987 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCCC3)cc2)cc1 8181085 VNGGEMAVFNIXHV-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)NCc2cccs2)c1 8274800 KHPRMBLXPSIMHK-UHFFFAOYSA-N 390.461 3.618 0 40 GHAB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1NC(=O)c1ccccc1 8334372 XWWLZSMEFHRRAG-HMAPJEAMSA-N 398.466 3.712 0 40 GHAB CCOc1ccccc1N1CCN(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CC1 8394916 PHKXBNXJIZQZDT-OAHLLOKOSA-N 389.446 3.956 0 40 GHAB CCOc1ncccc1C(=O)Nc1nc(CN2CCCCC2)nc2ccccc12 11164663 GRWJZSUPXJEDHJ-UHFFFAOYSA-N 391.475 3.662 0 40 GHAB COc1ccccc1OCC(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 12111461 AVJBZBDQBVJICL-UHFFFAOYSA-N 383.404 3.550 0 40 GHAB CCCc1ccc(C(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)s1 12187501 LIARHXYIHDDIRA-UHFFFAOYSA-N 397.504 3.869 0 40 GHAB O[C@@H](CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1 12292395 FWPZENMRERMHEC-SFHVURJKSA-N 383.385 3.862 0 40 GHAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(CCc3ccccc3)CC2)C1 12366018 YWKWLJDCORIPBA-XMMPIXPASA-N 378.516 3.895 0 40 GHAB CCOc1cc([C@H]2NC(=O)c3ccccc3N2)cc(Br)c1OC 12608560 ZPZZDXQCAKWHGP-MRXNPFEDSA-N 377.238 3.711 0 40 GHAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cc(F)c(F)cc1Cl 12818429 ZGWCYUISXYDJHV-UHFFFAOYSA-N 378.806 3.784 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Oc3ccccc3Cl)C2)s1 12880112 MBVDTBPSCMXENV-ZDUSSCGKSA-N 399.921 3.716 0 40 GHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1cccc(Cl)c1 12885263 LTNJTMMJEOWPMA-UHFFFAOYSA-N 395.286 3.537 0 40 GHAB CCN(CC)[C@@H](CNC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 12940776 YLWCUAUEHUXCNA-QFIPXVFZSA-N 393.531 3.555 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cnc2c(cnn2C(C)C)c1 12992638 PUYSNOQIKSYYAY-UHFFFAOYSA-N 382.464 3.692 0 40 GHAB O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13695478 TVLTZDSZGMHJPN-UHFFFAOYSA-N 380.375 3.639 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NCCSc1ccc(C)cc1)(C3)C2 13988344 PYGWHCVCGLMMSC-OTXOEQGISA-N 386.561 3.678 0 40 GHAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 14404448 GVYROWNJXJHCIK-UHFFFAOYSA-N 390.443 3.880 0 40 GHAB CS(=O)(=O)c1ccc(NC(=O)/C=C/c2cc(Br)ccc2F)cc1 14784557 RPGLYHRLTTVBHO-XNWCZRBMSA-N 398.253 3.644 0 40 GHAB CSc1ccc(CN(C)Cc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1 15480896 IGUAGGQVMKQNOT-UHFFFAOYSA-N 380.521 3.860 0 40 GHAB COc1cc(CN[C@@H](C(=O)N2CCCC2)c2ccccc2)ccc1OC(F)F 15499615 JWKHKSNFKVOKTN-LJQANCHMSA-N 390.430 3.750 0 40 GHAB O=C(Cn1nc(N2CCCCC2)c2ccccc2c1=O)Nc1ccc(Cl)cc1 15829797 COOZNZKTRNJAFG-UHFFFAOYSA-N 396.878 3.679 0 40 GHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(=O)[nH]c2ccccc12 16043718 YNFGJJXAQYUPSV-UHFFFAOYSA-N 399.454 3.765 0 40 GHAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccccc1Br 17964373 IRVCEALFVNHIRC-JTQLQIEISA-N 391.290 3.984 0 40 GHAB O=c1cc([C@H]2CCCCN2Cc2c(F)cccc2F)nc(-c2ccccn2)[nH]1 19402746 GBFHCASQJBMNJH-LJQANCHMSA-N 382.414 3.837 0 40 GHAB CCCC(=O)N1CC[C@](Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)C1 19501023 IRTOUHCBEXHILH-XMMPIXPASA-N 393.531 3.835 0 40 GHAB COCCn1cnc2cc(C(=O)N3CCCC[C@@H]3CN3CCCCCC3)ccc21 19594217 LXMULRLIWGTILF-HXUWFJFHSA-N 398.551 3.553 0 40 GHAB CCCN1C(=O)[C@@](NC(=O)C2CCCCC2)(C(F)(F)F)N=C1c1ccccc1 19939144 QHLRXBJZOFKFDR-LJQANCHMSA-N 395.425 3.641 0 40 GHAB O=C(c1cc(-c2ccccc2)on1)N1CCN(Cc2cccc(Cl)c2)CC1 20028604 ACUADVYCRCJUQA-UHFFFAOYSA-N 381.863 3.953 0 40 GHAB 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COC(=O)c1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)o1 3532234 LQQPXYYUUYKJQR-UHFFFAOYSA-N 386.477 3.628 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1OCC 3621770 QFVHGTFXZKDGEH-UHFFFAOYSA-N 383.444 3.620 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2F)sc(C(C)=O)c1C 3640190 LUMAQQUZTPCNQV-GFCCVEGCSA-N 393.436 3.981 0 40 GHAB CN(C)P(=NC(=O)COc1ccc(Cl)cc1Cl)(N(C)C)N(C)C 4166634 NGANDKVLLNZOPT-UHFFFAOYSA-N 381.244 3.530 0 40 GHAB Cc1ccc2c(c1)C(=O)O[C@@H](C(=O)Nc1ncc(Cc3ccccc3)s1)C2 4292105 SPNBXVBGXOHUCJ-GOSISDBHSA-N 378.453 3.763 0 40 GHAB CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)NCc3ccco3)n12 4415955 AVECTNAHXRCFLE-UHFFFAOYSA-N 395.488 3.577 0 40 GHAB CCCCN(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1ccncc1 4856172 IRQINAVTIPFICS-INIZCTEOSA-N 385.430 3.763 0 40 GHAB COc1ccc(Br)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 4901727 DMXCOSOZCIMUSO-UHFFFAOYSA-N 391.265 3.547 0 40 GHAB COc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)c(OC)c1OC 5376213 CGXVABFPYFUKMA-DHDCSXOGSA-N 387.413 3.659 0 40 GHAB CCc1ccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(OC)c(OC)c2)cc1 5389056 AXPCMCGBBIOFGE-ZDUSSCGKSA-N 397.431 3.722 0 40 GHAB C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1ccc(Cl)cn1 5499547 JIIDIAXMXHNSQM-GFCCVEGCSA-N 387.896 3.574 0 40 GHAB CC[C@H](C)NC(=O)COC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 5919691 UVMCOCZYWCCHMM-HNNXBMFYSA-N 397.500 3.731 0 40 GHAB CCSc1nnc(NC(=O)c2cccc(I)c2)s1 6232373 MAVXPPJXWICLFS-UHFFFAOYSA-N 391.259 3.507 0 40 GHAB CCOc1ccccc1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl 6551413 VTPBMPVPHKBAHZ-UHFFFAOYSA-N 382.243 3.865 0 40 GHAB COc1cc(Br)c(CC(=O)Nc2nc3ccccc3[nH]2)cc1OC 6651059 XWNHHXMEEGMKHL-UHFFFAOYSA-N 390.237 3.524 0 40 GHAB O=C([C@@H]1COc2ccccc2O1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 6787128 KZVFLNAUWVSRGB-KSSFIOAISA-N 396.468 3.648 0 40 GHAB C[C@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)Nc1ccc(F)c(F)c1F 6908447 XAWWPZYJIXGACW-QMMMGPOBSA-N 391.378 3.747 0 40 GHAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)c1 7882423 VGZHQQZHMSNBGJ-GOSISDBHSA-N 394.471 3.799 0 40 GHAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c(Cl)c1 8526260 ULSGDDQUKXSADH-HNNXBMFYSA-N 396.871 3.530 0 40 GHAB CCCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc12 9096572 AGVLGEGYBGBINM-QHCPKHFHSA-N 389.499 3.948 0 40 GHAB CCCCS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 9136593 ZKFDPBQJCIJXST-UHFFFAOYSA-N 394.305 3.671 0 40 GHAB O=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)Nc1cccc(F)c1 9327565 PAGMOEJRYNYZGW-UHFFFAOYSA-N 396.809 3.594 0 40 GHAB O=C(CCNCc1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCCC1 9834625 YZHYAMSWMHHVOS-UHFFFAOYSA-N 388.515 3.701 0 40 GHAB CCn1cc(C(=O)CSc2nnc(-c3cccnc3)n2C)c2ccccc21 10480603 BZAKDPFDRRTAEQ-UHFFFAOYSA-N 377.473 3.827 0 40 GHAB O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10546635 VHLOFBLGJGHLTM-HNNXBMFYSA-N 389.434 3.908 0 40 GHAB C[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 10968641 FZPADKJXWOKASU-HNNXBMFYSA-N 389.517 3.644 0 40 GHAB COc1ccc(Cl)cc1NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 11326752 GOJYBFHIIBMDCF-UHFFFAOYSA-N 383.835 3.973 0 40 GHAB Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2cnn(C(C)C)c2n1 11544901 ZRVJKZVHILWHRX-UHFFFAOYSA-N 397.910 3.936 0 40 GHAB O[C@H]1CCCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccs3)n2)C1 12185797 PTLSYMFPDDRAKL-AWEZNQCLSA-N 381.457 3.562 0 40 GHAB COc1ccccc1C1(O)CCN(Cc2cccc(Oc3ncccn3)c2)CC1 12292892 AHNZCKHZVLYJJD-UHFFFAOYSA-N 391.471 3.761 0 40 GHAB Cc1ccc(N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C(F)(F)F 12610134 FSYNBZYCRVPOKM-SNVBAGLBSA-N 378.354 3.623 0 40 GHAB Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c(=O)[nH]1 12806348 WDZJXPVGFAWROR-UHFFFAOYSA-N 382.489 3.698 0 40 GHAB Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3C)C2)n1 12950284 FCDPSQBJBWHTBS-LLVKDONJSA-N 394.294 3.514 0 40 GHAB Cc1sc2ncn(CC(=O)Nc3nc(-c4ccccc4)cs3)c(=O)c2c1C 12990463 CSUKOPMMSZJGIE-UHFFFAOYSA-N 396.497 3.837 0 40 GHAB CN(Cc1ccccc1F)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 13007737 CLLUICTXQURVBU-QFIPXVFZSA-N 390.458 3.825 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2c(F)cccc2Cl)c(C)c1 13673941 FALUETZQEDVZKF-UHFFFAOYSA-N 385.844 3.906 0 40 GHAB CC[C@H](C(=O)Nc1ccc(OC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712009 SMJGDTLXAAWMNR-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)c(C(F)(F)F)c1 14205407 BVHUGOWCPPWULK-UHFFFAOYSA-N 394.321 3.743 0 40 GHAB Cc1cc(C(=O)COc2ccc(C(C)C)cc2)c(C)n1[C@@H]1CCS(=O)(=O)C1 14343312 PVBQDGXDDQPZRB-GOSISDBHSA-N 389.517 3.850 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CCCC3)c1 15302708 CMZFZOQZZJGRIT-UHFFFAOYSA-N 386.517 3.848 0 40 GHAB CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 15418795 AWBGHAWVMUMDII-UHFFFAOYSA-N 386.395 3.564 0 40 GHAB C[C@H](NC(=O)CSCc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 16109086 FTTLEMMCJGEHNL-ZDUSSCGKSA-N 397.949 3.854 0 40 GHAB C[C@@H](NC(=O)CCCc1nc(-c2ccccn2)no1)c1nc2ccccc2s1 19459839 HSEFXCKPAWNUST-CYBMUJFWSA-N 393.472 3.941 0 40 GHAB CC(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(C(F)(F)F)cc2)CC1 19694171 GFDBBSLAFRPUGH-UHFFFAOYSA-N 392.425 3.954 0 40 GHAB Cc1nc(C)c(C(=O)N2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCCN3C)o1 19712899 LBJAZMFEMYMOPH-NJYVYQBISA-N 381.520 3.992 0 40 GHAB CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 19797613 KCVBQLZCVGZOBO-UHFFFAOYSA-N 379.504 3.629 0 40 GHAB CSc1cccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 22389358 HKRKLQNALNOQSD-UHFFFAOYSA-N 392.546 3.738 0 40 GHAB Cc1sc2ncnc(NC[C@@H](c3cccs3)N3CCN(C)CC3)c2c1C 22804244 PSHMRZGAYJGECQ-HNNXBMFYSA-N 387.578 3.770 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23227893 ZDBCWQDQKCYXSU-UHFFFAOYSA-N 391.830 3.558 0 40 GHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H](C(=O)NC(N)=O)c1ccccc1 23872986 IHMGRBGXYOLRAI-LJQANCHMSA-N 397.862 3.968 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(C)sc1C 25174189 RTXANOIVALWVID-UHFFFAOYSA-N 375.881 3.917 0 40 GHAB CC(C)(CNC(=O)c1nc(Cl)ccc1Cl)N1CCc2ccccc2C1 25464492 JMTISMGYRHDABV-UHFFFAOYSA-N 378.303 3.955 0 40 GHAB CC(=O)N[C@H](CC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1cccs1 27379738 OJNYTXTVBDHBAF-NVXWUHKLSA-N 397.500 3.863 0 40 GHAB Cc1cccc(Nc2nc(NCCc3ccc(O)c(Cl)c3)ncc2C(N)=O)c1 28641213 XSUDCDUTWFIUST-UHFFFAOYSA-N 397.866 3.641 0 40 GHAB O=C([C@@H]1CCCO1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 30180998 AGQRSMJTDXWYFJ-SFHVURJKSA-N 390.936 3.892 0 40 GHAB CCCCCC(=O)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1 32126568 PISQKFHAGNLPPU-UHFFFAOYSA-N 392.550 3.526 0 40 GHAB O=C(c1ccccc1)[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 32828855 BQNPYKWJKGJBSV-PKOBYXMFSA-N 380.473 3.568 0 40 GHAB Cc1ccc(OCc2nc3ccccc3n2CC(=O)NCC(F)(F)F)cc1 32957905 DWILVIBYIHMDGN-UHFFFAOYSA-N 377.366 3.602 0 40 GHAB COc1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4C)nnc3c2c1 35312235 KDGCLFSABWDCDK-UHFFFAOYSA-N 379.445 3.554 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(OC)cc2)cc1 36367068 IOQJCZWMSJMZEP-UHFFFAOYSA-N 383.429 3.643 0 40 GHAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1C 39743013 NTTXCAZUVCXPLW-UHFFFAOYSA-N 380.488 3.941 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccco3)ccc2o1 40081654 FLWPYRMWMYSADG-HNNXBMFYSA-N 381.432 3.962 0 40 GHAB O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1cccnc1Oc1cccc(F)c1 40106614 NUENMAIZOLROCK-IBGZPJMESA-N 392.386 3.931 0 40 GHAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 44036737 GRKFBNURGHUGCF-JXMROGBWSA-N 398.890 3.518 0 40 GHAB CCN(c1ccsc1C(=O)N1CCCCC1)S(=O)(=O)c1ccccc1 49004192 FHRFTIIGDKMTIR-UHFFFAOYSA-N 378.519 3.589 0 40 GHAB COC(=O)c1ccc(Nc2c(-c3nc(C)no3)cnc3nc(C)ccc23)cc1 49420742 YFBIOSWGRWKCPB-UHFFFAOYSA-N 375.388 3.827 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CCn1ccc3cc(C)ccc31)CC2 49543399 TUHPCUQMKWJSNJ-UHFFFAOYSA-N 378.472 3.942 0 40 GHAB biogenic COc1ccc(C2(CNC(=O)CCn3ccc4ccccc43)CCOCC2)cc1 56452021 UMWVWAZYASAMIL-UHFFFAOYSA-N 392.499 3.905 0 40 GHAB biogenic O=C(CCCOc1ccccc1F)Nc1cc2c(cc1Cl)NC(=O)CO2 59894144 GDXJRKDLDJCXHG-UHFFFAOYSA-N 378.787 3.608 0 40 GHAB CN1/C(=C\C=N\NC(=O)c2cc(Br)c[nH]2)C(C)(C)c2ccccc21 61458803 MYLUSCVANOKOBO-BLNPFENISA-N 387.281 3.804 0 40 GHAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)C3=C(Cl)CCCC3)cc2)C[C@@H](C)O1 67936191 ZKGLCFYUVNWMEQ-GASCZTMLSA-N 390.911 3.619 0 40 GHAB CN(Cc1ccc(OCc2cccs2)cc1)C(=O)Cn1nnc2ccccc21 69177122 PVFDLBWOKRGUPI-UHFFFAOYSA-N 392.484 3.730 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635416 ODFNSPUYWXHDLS-KRWDZBQOSA-N 379.334 3.648 0 40 GHAB CC(=O)O[C@@H](c1ccccc1)c1nc(C2CCN(C(=O)C3CCCC3)CC2)no1 72303507 ISHQSXDNRODKLZ-IBGZPJMESA-N 397.475 3.618 0 40 GHAB C=Cn1cc(CN2CC=C(n3c(C)nc(=O)c4cc(Cl)ccc43)CC2)c(C)n1 72348332 WKGQNFSKUGXXSI-UHFFFAOYSA-N 395.894 3.711 0 40 GHAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3nccn3C)C2)n1 72356221 MGUXFAGSNNOPLF-LJQANCHMSA-N 392.478 3.873 0 40 GHAB Oc1cc(C2CCN(Cc3cc(F)cc(F)c3)CC2)nc(-c2cccnc2)n1 72392780 QAGLLQXQRCGZKA-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB CNC(=O)Cc1nc(CNc2cc(C(F)(F)F)ccc2N2CCCC2)cs1 79068350 QAYGQHSQHXJDGO-UHFFFAOYSA-N 398.454 3.663 0 40 GHAB CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1scnc1-c1ccc(F)cc1 84752694 PFZRDIMVQHJKOP-KRWDZBQOSA-N 381.432 3.866 0 40 GHAB COCc1nc(N[C@@H](C)Cn2cncn2)c2c(-c3ccccc3)csc2n1 95957748 SKVDNVYCYSHHPC-ZDUSSCGKSA-N 380.477 3.597 0 40 GHAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccccn1)CC2 96037035 JHSMHNXDPRDTDM-UHFFFAOYSA-N 387.531 3.772 0 40 GHAB O=C(Nc1cnn(Cc2ccccc2F)c1)C1(c2ccccc2)CCOCC1 96182480 BSJQMMATZPUWBU-UHFFFAOYSA-N 379.435 3.757 0 40 GHAB CN(C(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1)C1CCCCC1 100117569 VBWMVTDZCYQMLK-QIEVIBBNSA-N 381.520 3.766 0 40 GHAB CC1=C(C)C[C@H]2C(=O)N(c3cccc(I)c3)C(=O)[C@H]2C1 102129783 QFQLXFXCINTLLA-OKILXGFUSA-N 381.213 3.527 0 40 GHAB COc1ccc(N(C)C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)cn1 119005907 MDIJDTWSJGZYKN-UHFFFAOYSA-N 376.338 3.571 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 152694279 CSKUQDSXMRHWIY-UHFFFAOYSA-N 381.866 3.668 0 40 GHAB CC[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1C 219139897 SLEWCOVCNQJFCI-FQEVSTJZSA-N 378.472 3.947 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 222402202 RICCTZAZRHIUAP-QFIPXVFZSA-N 396.531 3.878 0 40 GHAB CC[C@H](NC(=O)CSCc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 222712607 HSQFUWDLFVDTFB-SFHVURJKSA-N 395.521 3.730 0 40 GHAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 222902934 RCIDRKQLOVKNKR-AWEZNQCLSA-N 376.859 3.923 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 223960455 ZXNXOCSACVOOLK-MOPGFXCFSA-N 377.473 3.545 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 224691908 LHHFAFVHVWKJEL-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1 224709012 YYPBPNGYFGLMEZ-HNNXBMFYSA-N 375.490 3.508 0 40 GHAB CC(C)CSc1nnc(NS(=O)(=O)Cc2ccc(Cl)cc2)s1 225578459 WWAFCNUAIZESAZ-UHFFFAOYSA-N 377.944 3.882 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)N2CCc3cc(-c4ccncc4)ccc32)cc1 225639983 BBMZCDGTGGGFKB-UHFFFAOYSA-N 378.453 3.703 0 40 GHAB COc1cc(N2CCCCCC2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225957366 POMOTFJHXLHIEO-HNNXBMFYSA-N 385.537 3.913 0 40 GHAB Cc1cn(-c2ccccc2)nc1OC(C)(C)C(=O)Nc1nc2ccccc2n1C 227151235 NSSVQRKRZGUZPO-UHFFFAOYSA-N 389.459 3.864 0 40 GHAB CC(=O)OCc1ccc(CN2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)o1 253494193 WSMQRFJVQZNWBS-WQTXXOFMSA-N 387.451 3.602 0 40 GHAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4ccccn4)C3)o2)c1 257212800 CEZKDWDBPSWLAP-KRWDZBQOSA-N 377.444 3.689 0 40 GHAB Cc1cnc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N[C@@H]3Cc2ccccc2)cn1 257239123 HOAVFBOOZTYPOV-UOWZYWDASA-N 390.531 3.532 0 40 GHAB Cc1cc(Nc2cc(CC3CCN(C(=O)C(C)C)CC3)nc(C3CC3)n2)[nH]n1 257268170 MKNKHVCSUKVNLI-UHFFFAOYSA-N 382.512 3.566 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 257310201 UECIXXDNSDRXRE-FIKGOQFSSA-N 383.467 3.634 0 40 GHAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4ocnc4C)C3)o2)cc1 257323574 WKYLNEAIPOXMHT-MRXNPFEDSA-N 381.432 3.590 0 40 GHAB Cc1cccc(CN2CCO[C@H](c3cn4c(-c5ccncc5)cccc4n3)C2)n1 306127966 GMFOVKURNVVDSJ-QFIPXVFZSA-N 385.471 3.673 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)c2cn(C)c3ccccc3c2=O)cc1 408712906 APTRAASWUWMWHD-UHFFFAOYSA-N 378.428 3.748 0 40 GHAB O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCN(Cc2cccc(O)c2)CC1 531157075 ACKSEXJZSVTTRN-UHFFFAOYSA-N 382.357 3.508 0 40 GHAB Cc1cccc2c1OC[C@H](NC(=O)c1cc3c(C(F)F)nn(C)c3s1)C2 571815700 QFSWRZSEMJQKTK-LLVKDONJSA-N 377.416 3.614 0 40 GHAB CN(C)c1ccc(-c2ncn3c2[C@H](NC(=O)Cc2cccc(F)c2)CCC3)cc1 585110673 ARQHXAXODRIBTM-HXUWFJFHSA-N 392.478 3.949 0 40 GHAB Cc1cc(C)c2nc(O)c(CNC[C@@H](O)COc3ccc(Cl)cc3)cc2c1 585285172 OUXKNILAJWEONG-GOSISDBHSA-N 386.879 3.740 0 40 GHAB O=C1NC[C@@H](C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c2ccccc21 626831038 RFMOOLALGMRLGF-DDUZABMNSA-N 388.389 3.595 0 40 GHAB c1ccc(CN2CCOCCOc3ccccc3Oc3ncccc3C2)nc1 643563824 YRUXUQQCJMTODJ-UHFFFAOYSA-N 377.444 3.680 0 40 GHAB O=C(Nc1cnc(-c2ccccc2)nc1)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 653948672 CXMCZLCWDFDEMA-CABCVRRESA-N 380.370 3.765 0 40 GHAB CCCOc1ccccc1CN1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1138996510 IVGKPUTYTPCQOD-UHFFFAOYSA-N 394.515 3.873 0 40 GHAB O=C(NCCOc1ccccc1-c1ccccc1)c1cc(C(F)(F)F)n[nH]1 1597848039 DRTIRFKMTSNWFV-UHFFFAOYSA-N 375.350 3.904 0 40 GHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1ccc(Br)cc1 865033 WHPWGIWERUNXIQ-OAHLLOKOSA-N 391.217 3.951 0 40 GHAB biogenic O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1 983588 LZHZZTRTMWTZAB-UHFFFAOYSA-N 386.517 3.869 0 40 GHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc1OC 1236868 UUZNXJKLEPPUKQ-FQEVSTJZSA-N 395.459 3.587 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2cccc(C)c2)C(=O)[C@@]31C 2108898 MLATYPQDUCPGPQ-JOCHJYFZSA-N 375.428 3.725 0 40 GHAB biogenic CC[C@H](C)COC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc12 2387562 XQFSYWUFOJQESS-KBPBESRZSA-N 382.464 3.549 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Cl)n2N)cc1 3271177 MNVJADOHXVXDFH-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)NCC1CCCCC1 3407107 DYNDPNGAKQGVLY-CYBMUJFWSA-N 376.501 3.798 0 40 GHAB Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)C3=COCCO3)nc2c1 4273299 IIHLJFKSWYTPHB-UHFFFAOYSA-N 381.457 3.730 0 40 GHAB COc1ccc(-c2csc3nnc(SCC(=O)N4CCCCC4)n23)cc1 4967204 HWNOYCUKIJZBFK-UHFFFAOYSA-N 388.518 3.571 0 40 GHAB COc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1 4967872 HVCDWVMYNSLMQH-MRXNPFEDSA-N 381.501 3.838 0 40 GHAB O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(Br)cc1 5168617 SXDFLTWDWYSVIY-UHFFFAOYSA-N 394.232 3.806 0 40 GHAB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1nc(-c2ccccc2)cs1 5474679 RXJIUAKVAPQGEO-GFCCVEGCSA-N 396.424 3.723 0 40 GHAB CC[C@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C)cc1 5702045 AFQQFXBVFGEQFW-SFHVURJKSA-N 394.496 3.924 0 40 GHAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 6082062 OOHAEXSRRGMITG-GJZGRUSLSA-N 394.500 3.734 0 40 GHAB C/C=C/C=C/C(=O)OCC(=O)c1ccc(OC(=O)c2cccc(OC)c2)cc1 6158014 RYIZQUVVMQSTGL-PRKJJMSOSA-N 380.396 3.773 0 40 GHAB CCn1c(=S)sc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)c(C)nc21 6670198 LISKEOXUMCJCBG-UHFFFAOYSA-N 394.909 3.609 0 40 GHAB CCOc1ccc2oc(C(=O)OCN3C(=O)c4ccccc4C3=O)c(C)c2c1 6845436 XWVNNUGYATVDGN-UHFFFAOYSA-N 379.368 3.550 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2cccnc2)C1=O)Nc1ccc(F)c(Cl)c1 6970924 BKAJDEFMTGGHJJ-MKMNVTDBSA-N 391.811 3.549 0 40 GHAB Fc1ccccc1CSc1nnc(CN2CCOCC2)n1-c1ccccc1 7097991 FWVJXALODQMHRW-UHFFFAOYSA-N 384.480 3.531 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)cc(C)c3C)n2)cc1 7759682 SHLJWIWVOCWAHJ-UHFFFAOYSA-N 395.459 3.708 0 40 GHAB O=C(NC1CC1)[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1 7861553 HLFBMWPFVIWTGA-LJQANCHMSA-N 391.496 3.843 0 40 GHAB COc1ccc(C)cc1CC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 8022554 BOEVXFZFZMWFCS-UHFFFAOYSA-N 381.259 3.608 0 40 GHAB CC(=O)NCc1ccc(-c2csc(CC(=O)Nc3ccccc3C)n2)cc1 8209218 MQUKPLUYYZPRMA-UHFFFAOYSA-N 379.485 3.936 0 40 GHAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)C(C)C)cc21 9174274 SCFABKSBDCTTKZ-UHFFFAOYSA-N 382.526 3.634 0 40 GHAB COc1ccc(CCN2CN(C[C@@H]3CCCO3)c3nc4ccccc4n3C2)cc1 9262134 YSESRZJJHNDGFD-FQEVSTJZSA-N 392.503 3.504 0 40 GHAB CCOc1ccc(-c2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)[nH]n2)cc1 9638129 PGLXXCJKRATNDX-UHFFFAOYSA-N 376.372 3.921 0 40 GHAB O=C(NCc1nc(-c2ccncc2)n[nH]1)C1(c2ccc(Cl)cc2Cl)CC1 12114813 FRCBOQPEQFFAJZ-UHFFFAOYSA-N 388.258 3.522 0 40 GHAB CCOc1ccc(C(=O)CSc2nccn(-c3ccc(OC)cc3)c2=O)cc1 12415280 BKXIZOQNYWNUSC-UHFFFAOYSA-N 396.468 3.615 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccccc1N1CCCC1 12564495 ZLVGKZFSOSTHIB-UHFFFAOYSA-N 383.521 3.821 0 40 GHAB C[C@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(F)c(F)c1 12763125 BGBVPXKKXLHPHP-AWEZNQCLSA-N 387.430 3.630 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc2c(c1)Cc1ccccc1-2 12779782 SJUGMDVLSGPMLT-OYRHEFFESA-N 386.451 3.538 0 40 GHAB COc1ccc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)nc2c1 12855630 LBEDJDVUTDVCIL-UHFFFAOYSA-N 375.472 3.510 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 12879169 NMWWJWMGKMPZJD-OAQYLSRUSA-N 391.471 3.618 0 40 GHAB COc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1Cl 12978268 FNCQBHBVEPXNGF-AWEZNQCLSA-N 399.882 3.561 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1OC 12999393 ZTQUUIZSKQMQRJ-HNNXBMFYSA-N 383.448 3.586 0 40 GHAB O=C(/C=C/c1ccccc1Br)Nc1ccc(C(=O)NC2CC2)cc1 13014568 JVWYMDOKRRWALH-KPKJPENVSA-N 385.261 3.993 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1ccccc1 13690171 CVHUITYZXIZWOG-VQIMIIECSA-N 375.472 3.898 0 40 GHAB CCc1nnc2c(N3CCN(c4cccc(C)c4)[C@@H](C)C3)nc3ccccc3n12 13809681 OBJPHLRLJCNUJF-KRWDZBQOSA-N 386.503 3.863 0 40 GHAB CC(C)C(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 14171083 MXJQUPORQMXPOZ-WQLSENKSSA-N 387.288 3.802 0 40 GHAB O=c1c2cc(Cl)ccc2ncn1C[C@H](O)COc1cccc2ccccc12 14184135 DLOINQHNOXKCGQ-INIZCTEOSA-N 380.831 3.643 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1Cl 14251278 JXZNJPMKAKCSMG-AWEZNQCLSA-N 390.842 3.979 0 40 GHAB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 15796643 CPCADYCUPBVNFX-INIZCTEOSA-N 376.456 3.540 0 40 GHAB CCC(=O)N1CCCc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 17248063 UNJLBJCQMVITLK-UHFFFAOYSA-N 398.459 3.654 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccncc3)c2)cc1 17585796 DMDBTVLPVVUSHR-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1 18077156 RFDLNVDRSUHSKO-UHFFFAOYSA-N 394.924 3.942 0 40 GHAB CC(C)(C)CC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccccc2)C1 19082673 LIMFCDOVSVZUBF-FQEVSTJZSA-N 378.516 3.907 0 40 GHAB Cc1cc(Nc2cccc(C(=O)NCc3ccccc3-n3ccnc3)c2)nc(C)n1 19117604 CQLACOIWPYEQFH-UHFFFAOYSA-N 398.470 3.953 0 40 GHAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2ccc(F)cc2)cc1 19336808 LMWYVECHDDAWHG-UHFFFAOYSA-N 395.434 3.686 0 40 GHAB CCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 19503726 IFPLCHBAMTXVNA-QGZVFWFLSA-N 378.476 3.742 0 40 GHAB CCn1nc(C)c(C(=O)N[C@H]2CC3(CCOCC3)Oc3ccc(C)cc32)c1C 19523719 SLHAFJXBOKWTIW-SFHVURJKSA-N 383.492 3.631 0 40 GHAB COc1cc(CN2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@H]3C2)ccc1O 19569215 QLSDPSXDBKELMS-LTMIRXACSA-N 383.488 3.529 0 40 GHAB Cc1nc([C@H]2CCN(C(=O)C(C)C)C2)nc2c1CCCN2Cc1ccccc1 19707570 RHWCQGJHWQKFAK-IBGZPJMESA-N 378.520 3.710 0 40 GHAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1C(=O)NCc1cccnc1 20567871 MJDNSKAFMJBYBB-FMIVXFBMSA-N 375.403 3.803 0 40 GHAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2cccc(N3CCCC3=O)c2)C(C)C)c1 21558415 NGADYJQVYMPRCG-NRFANRHFSA-N 393.487 3.515 0 40 GHAB O=C(NCc1ccccc1CN1CCOCC1)c1cccc(Cl)c1Cl 21935026 DBAXDMHZZVHZNI-UHFFFAOYSA-N 379.287 3.756 0 40 GHAB Cc1sc2nc(CN3CCOCC3)nc(NCCOc3ccccc3)c2c1C 23408786 USEOFUYSSUDWEN-UHFFFAOYSA-N 398.532 3.631 0 40 GHAB COc1ccc(CCSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 24933373 UOVRHEITUNHGHS-UHFFFAOYSA-N 392.546 3.600 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccccc1C 25222680 GFTQVLYMZUYXKH-CQSZACIVSA-N 389.883 3.555 0 40 GHAB COc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1Br 25658273 LQVDEPXMRWHMAQ-LBPRGKRZSA-N 384.295 3.540 0 40 GHAB CC(C)=C[C@H]1[C@@H](C(=O)OCC(=O)N2CCc3[nH]c4ccccc4c3C2)C1(C)C 28415125 FQQCXXXWHZLVOE-UWJYYQICSA-N 380.488 3.834 0 40 GHAB CC(C)COc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1Cl 30201244 JSGVOWDWOXOVCE-UHFFFAOYSA-N 385.851 3.793 0 40 GHAB Cc1ccc([C@@H]2CCCN2C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)cc1 31940938 IVOPAQZHWSHARA-UEBLJOKOSA-N 398.528 3.639 0 40 GHAB O=C(NCc1ccccc1)C1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 32759769 WOXQSAODHJPBIU-JOCHJYFZSA-N 376.500 3.662 0 40 GHAB Cc1cc(C)cc(OCCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c1 32769173 DNHQOSQXNOIEAE-NRFANRHFSA-N 381.451 3.851 0 40 GHAB O=C(Nc1ccccc1C(=O)OCc1nnsc1Cl)c1ccsc1 32850659 PZNOGLIKDQSNTE-UHFFFAOYSA-N 379.850 3.862 0 40 GHAB O=C(NCc1ccnc(N2CCCC2)c1)c1cc(C2CC2)nn1-c1ccccc1 32902218 FQGUYAKBOPLIMR-UHFFFAOYSA-N 387.487 3.675 0 40 GHAB O=C(Cc1cn2ccsc2n1)NCc1cccnc1Oc1cccc(F)c1 32924752 HJRUPUPPOIGRAU-UHFFFAOYSA-N 382.420 3.581 0 40 GHAB CCc1ccc(NC(=S)N2CCC(NC(=O)c3cccc(OC)c3)CC2)cc1 35311160 PUUJMWIQUIHTSR-UHFFFAOYSA-N 397.544 3.849 0 40 GHAB CCN(C(=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 40105939 WFGQNBNIXPEWGR-UHFFFAOYSA-N 386.300 3.961 0 40 GHAB O=C(CCc1ccccc1F)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 40108366 FFPKBKGSTLTLQO-UHFFFAOYSA-N 392.833 3.535 0 40 GHAB C[C@H]1C[C@H](C)CN(CCCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 40157095 QIUXCPPRTYSGKE-KBPBESRZSA-N 376.925 3.516 0 40 GHAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc2c(c1)OCCO2 41184956 YHPRYBCWJNNBAU-UHFFFAOYSA-N 385.807 3.733 0 40 GHAB O=C(Nc1cccc(OCCn2ccnc2)c1)c1cccc(Br)c1 42706628 ABSRZTOWBDFCEG-UHFFFAOYSA-N 386.249 3.977 0 40 GHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 44903330 SBAXBODGEVCVMX-LJQANCHMSA-N 393.487 3.897 0 40 GHAB Cc1oc(-c2cccs2)nc1C(=O)OCC(=O)c1ccc2c(c1)OCCCO2 46540091 ZEGOHSJTMGWPQF-UHFFFAOYSA-N 399.424 3.913 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCOc3ccc(C)cc3C)C2)nc1 48291082 KMFXBOSXDOHKQU-IBGZPJMESA-N 395.503 3.653 0 40 GHAB COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cn2)o1 48356251 NLTIZLVRNPDMIK-KRWDZBQOSA-N 383.791 3.886 0 40 GHAB CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccccc3OC)c(C)c2)CC1 56170190 YPUURXMZEJXIPN-SFHVURJKSA-N 396.535 3.585 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccc(OC)c(F)c2)c1C 58170509 BWBHKDCHFJOPKF-CQSZACIVSA-N 390.455 3.659 0 40 GHAB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1F 58180366 HINCVJHHWSDBCT-UHFFFAOYSA-N 393.344 3.500 0 40 GHAB CN(C(=O)[C@@H]1CCCc2ccccc21)C1CCN(CCc2ccccn2)CC1 58202979 CPZYNABWDYBWCR-HSZRJFAPSA-N 377.532 3.667 0 40 GHAB COc1ccc(CNC(=O)NCc2cc3ccccc3[nH]2)cc1OC(F)F 58294464 CYGCYAHGKQWTTN-UHFFFAOYSA-N 375.375 3.777 0 40 GHAB C[C@@H]1Oc2ccccc2N(CCC(=O)NC2(c3ccc(F)cc3)CCC2)C1=O 58416641 NQXDYWPPCAFIOZ-HNNXBMFYSA-N 382.435 3.525 0 40 GHAB Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)Cc2ccccc2)cc1 59502318 SNZKAROIFSBVBN-UHFFFAOYSA-N 384.435 3.824 0 40 GHAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)c1 64597341 JYKZGFIDUQWTMR-UHFFFAOYSA-N 379.503 3.800 0 40 GHAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OC 65086546 IBXYKCJULPHZJE-CQSZACIVSA-N 377.868 3.874 0 40 GHAB COc1cccc2cc(C(N)=O)/c(=N/c3cccc(OC(F)(F)F)c3)oc12 67292683 WCOJFPGJFBKBBU-QJOMJCCJSA-N 378.306 3.671 0 40 GHAB C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CC[C@H](c2ccccc2)C1 69897084 VCKKKTRHMMVENC-HKUYNNGSSA-N 377.488 3.630 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)cc1OC 71976073 PEVVWABYNFAKKO-UHFFFAOYSA-N 384.885 3.532 0 40 GHAB CCN1CCC2(CC1)c1[nH]c3ccc(OC)cc3c1CCN2C(=O)c1ccco1 72325813 KQQAPXFPENAXRC-UHFFFAOYSA-N 393.487 3.779 0 40 GHAB NC(=O)c1ccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)cc1 72348999 HTHPWLBMTQETPB-OAQYLSRUSA-N 399.494 3.796 0 40 GHAB COc1ccc(Oc2cncc([C@@H]3CCCN3C(=O)c3oc(C)nc3C)n2)cc1 72384127 KNGXOMPCGUHXPF-SFHVURJKSA-N 394.431 3.860 0 40 GHAB Cn1ncc(Cl)c1-c1nnc2sc(-c3cccc(OC(F)F)c3)nn12 79477828 NCZQQTWXPYGZDU-UHFFFAOYSA-N 382.783 3.508 0 40 GHAB CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 95351027 COBBKWXXVZHBLJ-UONOGXRCSA-N 398.406 3.819 0 40 GHAB C[C@@H](O)C[C@@H](CNC(=O)NC1(c2noc(C3CC3)n2)CCCC1)c1ccccc1 95413643 RQWVCPHNMLHKEQ-QAPCUYQASA-N 398.507 3.570 0 40 GHAB O=C(COC1CCCCC1)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 95950133 XGTZKXGRDDHLRU-UHFFFAOYSA-N 385.489 3.983 0 40 GHAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(Oc2ncccc2Cl)CC1 96096856 QALOHJUXFSRTBQ-UHFFFAOYSA-N 396.878 3.663 0 40 GHAB CC(C)Oc1ncc(C(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)cc1Cl 97159117 IVOPCQWJFOIQFW-WFASDCNBSA-N 387.867 3.530 0 40 GHAB O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]21 100776286 ZJSYXKOHRTZXIW-DZOHQFGASA-N 386.234 3.953 0 40 GHAB CCc1nn2c(O)cc(C[C@@H](C)n3nc(C)nc3C)nc2c1-c1ccccc1 100776451 BIIGCVCFCVFCKL-CYBMUJFWSA-N 376.464 3.676 0 40 GHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)CCC(=O)c2cccs2)C1 102484014 HTGJERWSBPMEBB-VBKZILBWSA-N 377.506 3.681 0 40 GHAB CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@H](C1)C2(F)F 169804875 PIFOPINFRFMDTD-HZPDHXFCSA-N 396.434 3.757 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 191450051 FRYBKBWSKCVQEK-UHFFFAOYSA-N 380.897 3.931 0 40 GHAB COc1ccc(CNC(=O)NCc2ccc([C@@H](O)c3ccsc3)s2)cc1 207968277 NIRXCZNDWDQNOU-SFHVURJKSA-N 388.514 3.899 0 40 GHAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 223492432 IMBGFWDUNDAQLV-NRFANRHFSA-N 396.531 3.587 0 40 GHAB Cc1ccc(C(=O)NCc2ccccc2F)cc1NS(=O)(=O)c1ccccc1 224098618 QIXLNHCQCIKJCD-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 224695035 WMGFESKZJBQALD-FQEVSTJZSA-N 396.531 3.934 0 40 GHAB CN(C)CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 225561530 MUJZCBNKCFDYMN-UHFFFAOYSA-N 382.504 3.704 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)n1 257243781 IINNHXNYVHCLPI-FQEVSTJZSA-N 396.466 3.972 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)cn1 257268278 MKYVZEIBMILKTK-SFHVURJKSA-N 377.444 3.689 0 40 GHAB Cc1cccc(Nc2cccc(C3CCN(Cc4cnn(C)c4C)CC3)n2)n1 257268579 MMHGLKKRLFCZQI-UHFFFAOYSA-N 376.508 3.950 0 40 GHAB Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)n1 257270160 MTAJPBPGGXKEGP-KRWDZBQOSA-N 398.470 3.743 0 40 GHAB O=C(c1ncccn1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257279165 OFHKTAPTYOIIOT-HNNXBMFYSA-N 382.851 3.729 0 40 GHAB CCCSc1ncc(CN2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)cn1 257320434 VWUNZJYRZHYNGD-RDJZCZTQSA-N 380.521 3.592 0 40 GHAB Cc1[nH]c2ccc(C(=O)NS(=O)(=O)c3ccccc3C(F)(F)F)cc2c1C 257320601 VXNOPBHXWPNELN-UHFFFAOYSA-N 396.390 3.922 0 40 GHAB CCCC(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccccn2)CC1 257341829 ZMCWQVGEBGHCFK-QAQDUYKDSA-N 381.524 3.795 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2CN(Cc3ccoc3)C[C@@H]21 306134766 NXTOUFDGIQVKTC-CTNGQTDRSA-N 383.444 3.841 0 40 GHAB O=C(c1cccc2ccccc12)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390832007 WPAQZHRAOSWZAX-NRFANRHFSA-N 379.481 3.842 0 40 GHAB CCN(CC)C(=O)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 408978148 YKKZFXKGEOPTDU-UHFFFAOYSA-N 379.441 3.579 0 40 GHAB O=C1S/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1CCCc1ccccc1 409131998 KIUZFWHXWFEPKZ-OBGWFSINSA-N 398.484 3.785 0 40 GHAB Cc1cc(CCNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)on1 585082136 MWPQSSDSVRGOSA-UHFFFAOYSA-N 383.496 3.887 0 40 GHAB COc1ccccc1NC(=O)Cc1noc(C[C@@]23CCCC[C@H]2C3(F)F)n1 585091632 ADMBVFXEFGYVDX-KDOFPFPSSA-N 377.391 3.627 0 40 GHAB Cc1cc(NC(=O)N2CC[C@@]3(c4ccccc4)[C@@H](C2)C3(F)F)cc(C(N)=O)c1 585101658 GYGFKLKSZSQQAF-YLJYHZDGSA-N 385.414 3.535 0 40 GHAB CCCc1noc2nc(CC)cc(C(=O)N3CCN(CCC(C)(C)C)CC3)c12 622322819 GPQICGXOWXLVEO-UHFFFAOYSA-N 386.540 3.932 0 40 GHAB Cn1nc(-c2ccsc2)cc1NC(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 646387299 COSUPHLSFZIGHP-NVXWUHKLSA-N 383.477 3.585 0 40 GHAB Cc1nc2ccc(COC(=O)[C@H](c3ccccc3)N3CCN(C)CC3)cc2s1 1530311474 KSMMSYBCIKJEHL-NRFANRHFSA-N 395.528 3.637 0 40 GHAB CC(C)(C)NC(=O)[C@@H]1CCN(c2ncc(Br)cc2C(F)(F)F)C1 1888859548 PCWNNGKIZLPIBW-SECBINFHSA-N 394.235 3.604 0 40 GHAB Cc1cccc(CN2CCC[C@@]3(CCCN(C(=O)c4ncccc4C)C3)C2)n1 2056224845 YYIQZYZPSLMTMO-HSZRJFAPSA-N 378.520 3.612 0 40 GHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCc3ccccc3C2)cc1C 983620 MVZGFNHAYUEDHQ-UHFFFAOYSA-N 392.528 3.870 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)N(C)C)cc2c1 1367150 XVFWETPATFHSPZ-UHFFFAOYSA-N 397.450 3.750 0 40 GHAB CCOC(=O)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 2066744 VYUVYXMGZGPIMB-SECBINFHSA-N 395.091 3.556 0 40 GHAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3ccc(C(=O)O)cc3)ccc12 2093264 ZFAWDAKIKJZGIH-UHFFFAOYSA-N 396.395 3.704 0 40 GHAB biogenic OCCOCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 2714786 WOJNRQXALUQOPI-UHFFFAOYSA-N 392.434 3.647 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1 3228661 WZWTVLFZLOTOCG-UHFFFAOYSA-N 376.412 3.528 0 40 GHAB C[C@H](NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1 3318947 ALXGMDXYHSRRFQ-KRWDZBQOSA-N 387.435 3.952 0 40 GHAB Cc1sc2ncnc(OCC(=O)Nc3ccccc3OC(F)F)c2c1C 3330535 FWZUECLQEWAATL-UHFFFAOYSA-N 379.388 3.927 0 40 GHAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(c1=O)S[C@H](C)C2 4107874 GGZJQADAVIYZCZ-CYBMUJFWSA-N 389.546 3.648 0 40 GHAB CCOC(=O)CS[C@@H](C)C(=O)Nc1nnc(-c2c(C)cc(C)cc2C)s1 4174563 JOWAZPLCXRJCQK-ZDUSSCGKSA-N 393.534 3.754 0 40 GHAB Cc1ccc2sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)nc2c1C 4275355 CUQZVAVICCYXBI-UHFFFAOYSA-N 379.441 3.819 0 40 GHAB CC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 4412815 UYXIHDWPHLPSTG-UHFFFAOYSA-N 385.895 3.897 0 40 GHAB CCCCNC[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@H]1O 4429915 IJYOEYVFODZMCS-HFCLOAOQSA-N 381.564 3.864 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(OC)cc1OC 4778589 NSEGEZYJWSXGFH-NMGGILLSSA-N 390.524 4.000 0 40 GHAB C[C@@H]1CCCN(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)C1 4848491 AQAAYXMJQQETOU-GFCCVEGCSA-N 381.885 3.653 0 40 GHAB Cc1ccc(NC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)cc1 4853097 JIAIVEBZOIPSOG-UHFFFAOYSA-N 383.448 3.719 0 40 GHAB COc1ccccc1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCCC1 5001816 WVBFHJWQVBPEBW-UHFFFAOYSA-N 379.460 3.773 0 40 GHAB CC(=O)c1ccc(NC(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 5072307 LHHFHGZQWQCFRV-UHFFFAOYSA-N 391.423 3.810 0 40 GHAB COc1ccc(-c2cccc(NS(=O)(=O)c3ccccc3Cl)c2)nn1 5204201 AZVSLZHSWCRUFH-UHFFFAOYSA-N 375.837 3.606 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(C)cc(C)cc1C 5505004 IRDKEYYBNMEOIJ-HXUWFJFHSA-N 379.460 3.887 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(Cc3csc(C)n3)o2)cc1 5834782 RMQVACQDBDUNIX-UHFFFAOYSA-N 390.490 3.555 0 40 GHAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 6082006 SFHWMOSWZSEGPU-CQSZACIVSA-N 396.472 3.598 0 40 GHAB O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)C1=COCCO1 6372872 LHPXBTSXKUGOPP-UHFFFAOYSA-N 392.333 3.784 0 40 GHAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NCc1cccs1 6531969 IERPQMJMISBKEX-UHFFFAOYSA-N 384.530 3.674 0 40 GHAB CCC[C@H](C)NC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 6946685 KJYCNVMRJZOYTH-KRWDZBQOSA-N 388.533 3.749 0 40 GHAB CCCCCn1c(S[C@@H](C)C(=O)NCC)nc2cc(Cl)ccc2c1=O 7504318 LYUWURUAYNDASF-LBPRGKRZSA-N 381.929 3.857 0 40 GHAB Cc1nc(CC(=O)OCc2nnc(-c3c(-c4ccccc4)noc3C)o2)cs1 7984576 LWFJQCZJYUTROT-UHFFFAOYSA-N 396.428 3.751 0 40 GHAB COC(=O)c1[nH]c(CN[C@@H](C)c2ccc3ccccc3c2)c(C(=O)OC)c1C 7984654 QUEGKFCIMMXKGL-AWEZNQCLSA-N 380.444 3.900 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1OC 8075909 VDHLXFSCOJFMJW-OPUMOTSWSA-N 395.455 3.852 0 40 GHAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc2c1OCO2 8111432 KUDJMVOSJYMSDZ-CAOOACKPSA-N 394.408 3.532 0 40 GHAB CC(C)[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 8124368 RIBWDUYLRKSTOP-OIHWHRODSA-N 381.428 3.713 0 40 GHAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc3ccccc3c1)C2=O 8231489 HWXMRLNGZSCEPG-NPMXOYFQSA-N 393.487 3.915 0 40 GHAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCN(C(=O)c2ccco2)CC1 8246700 DOTSTUPJWTXLSB-UHFFFAOYSA-N 399.878 3.625 0 40 GHAB COc1ccc(-c2noc(COC(=O)CCc3c[nH]c4ccccc34)n2)cc1 8537654 ODGPFNFMPWMHHF-UHFFFAOYSA-N 377.400 3.903 0 40 GHAB COc1ccc2c(CC(=O)N(CCC(N)=O)c3ccccc3Cl)coc2c1 8749093 VJIAWFDQJYSTLN-UHFFFAOYSA-N 386.835 3.546 0 40 GHAB CCc1ccc(OCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)cc1 8916074 JOEKOKZVQOSUFX-HSZRJFAPSA-N 396.531 3.980 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 9062555 VJKYPWGFGBKFOP-IBGZPJMESA-N 396.531 3.799 0 40 GHAB CC(C)Cn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccco1 9567074 XSIJCBYZZUDAMJ-UHFFFAOYSA-N 396.472 3.582 0 40 GHAB CCOc1ccc(Nc2nc(NC3CCCCC3)nc(N3CCOCC3)n2)cc1 9708934 MQKBRDMWTPJKRC-UHFFFAOYSA-N 398.511 3.595 0 40 GHAB COCCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 9726674 ZSCZBSLBDZQTRG-UHFFFAOYSA-N 380.318 3.892 0 40 GHAB Cc1cccc(CCCNS(=O)(=O)Cc2ccc(Br)cc2)c1 10110842 ATBMXABMBXCKEK-UHFFFAOYSA-N 382.323 3.810 0 40 GHAB Cn1nc(-c2cccc(NC(=O)COc3ccc4ccccc4c3)c2)ccc1=O 10325160 RAEHMTADTFEBTD-UHFFFAOYSA-N 385.423 3.618 0 40 GHAB O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 11205707 PTZGOWNISMOPRC-OAQYLSRUSA-N 398.528 3.742 0 40 GHAB COc1ccc([C@H]2CC(=O)Nc3nc(N)sc32)cc1OCc1cccc(F)c1 12371395 IBLWHYTZRNVMAK-CQSZACIVSA-N 399.447 3.926 0 40 GHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2c(c1)OCO2 12482683 MPYIRLPGWAPQEV-UHFFFAOYSA-N 395.242 3.823 0 40 GHAB CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccco2)nc2ccccc12 12752569 DMZDSFUVLRNLDH-ZDUSSCGKSA-N 398.488 3.852 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12780671 TZCRGFPLWDQCHJ-QZTJIDSGSA-N 395.503 3.681 0 40 GHAB C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N1CCCCC1 12886688 MNIUMYBRMKFXFU-AWEZNQCLSA-N 376.551 3.686 0 40 GHAB CC(C)c1ccc(-c2nc(C(=O)NCC(=O)NCc3ccco3)cs2)cc1 12913196 AYMRZPXSSQBYAN-UHFFFAOYSA-N 383.473 3.573 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 13019839 FLWIYOHIDOYRNS-OAHLLOKOSA-N 383.883 3.861 0 40 GHAB O=C(O[C@@H]1Oc2ccccc2O[C@@H]1OC(=O)c1ccccc1)c1ccccc1 13576853 IBCQZWLWJZCBGF-SZPZYZBQSA-N 376.364 3.824 0 40 GHAB Cc1nc(-c2ccccc2)nc2sc3c(=O)n(Cc4ccccc4)nnc3c12 13688530 BTQHTYWYQLYLQD-UHFFFAOYSA-N 385.452 3.820 0 40 GHAB Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1F 15611765 JDBXKOZXVGMCGN-UHFFFAOYSA-N 384.329 3.743 0 40 GHAB Cc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCCC3)cc(=O)c2c1 15860422 ALRDSFCMIQMJLJ-SFHVURJKSA-N 394.471 3.960 0 40 GHAB Cc1noc(C)c1CSCC(=O)Nc1cc(Cl)ccc1N1CCOCC1 15952022 XTNRAFOSKYJHKW-UHFFFAOYSA-N 395.912 3.653 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccccc1C 16087432 VONQGTOOUIJCDB-GFCCVEGCSA-N 384.295 3.806 0 40 GHAB COc1ccc(NC(=O)c2ccc(NC(=O)CN3CCC[C@@H](C)C3)cc2)cc1 16446274 ZVYPGBFBNIPRPB-MRXNPFEDSA-N 381.476 3.618 0 40 GHAB NC(=O)c1ccc(COC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 16813399 VAFIRXODBVTBNG-UHFFFAOYSA-N 379.412 3.533 0 40 GHAB NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)CCC(=O)O 17079038 FYAUBVDHJHLGKC-UHFFFAOYSA-N 387.244 3.624 0 40 GHAB C[C@@H](NC(=O)CN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)CCCC2 17283594 REHPJPKDYLKDSC-GOSISDBHSA-N 395.522 3.704 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 18100595 DNCRLQCSXSDGSW-UHFFFAOYSA-N 390.468 3.627 0 40 GHAB Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)Cc2ccccc2F)on1 19121332 USAAPQDZQMUFIF-SFHVURJKSA-N 382.439 3.819 0 40 GHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cc(C)no4)C3)cc2N1 19520796 VBGDQYAACYLYNO-YWPYICTPSA-N 397.401 3.507 0 40 GHAB CCn1c(N2CCC[C@@H](C(=O)Nc3nnc(C(C)C)s3)C2)nc2ccccc21 19524416 SICYZTXTVLTWMU-CQSZACIVSA-N 398.536 3.886 0 40 GHAB COc1cccc(CN(Cc2n[nH]nc2-c2ccccc2)C[C@H]2CCCO2)c1 19564642 NQVTYGCOIOQGTL-HXUWFJFHSA-N 378.476 3.662 0 40 GHAB O=C(Cc1nc2cc(Cl)ccc2[nH]1)Nc1cnn(Cc2cccc(F)c2)c1 19718979 TXXCOFHTSAKJJC-UHFFFAOYSA-N 383.814 3.781 0 40 GHAB CCCOc1ccc(Br)cc1S(=O)(=O)NC1CCCCC1 19942739 JYRKXWWZKOMKDT-UHFFFAOYSA-N 376.316 3.849 0 40 GHAB CCSc1nn2c(=O)cc(COc3cccc(C(F)(F)F)c3)nc2s1 20858972 VPVDOKCGQQRLKU-UHFFFAOYSA-N 387.408 3.861 0 40 GHAB O=C(Nc1ccc(CNC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1)C1CC1 23174393 AGNRMASEMLCAOO-UHFFFAOYSA-N 393.487 3.830 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4F)CC3)no2)cc1 23237085 QTVPLZHAZZYKQN-UHFFFAOYSA-N 379.435 3.747 0 40 GHAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1cccnc1-n1cccn1 24590467 TZNSXMMDNKFKPG-UHFFFAOYSA-N 377.835 3.707 0 40 GHAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccccc1OCC(F)(F)F 26137495 HTKMVJSPCMPGRP-UHFFFAOYSA-N 375.350 3.995 0 40 GHAB O=C(OCc1nc(-c2ccsc2)no1)c1cccc(Nc2ncccn2)c1 28134905 IUDXDUHTMPKLDZ-UHFFFAOYSA-N 379.401 3.689 0 40 GHAB COc1ccc(CN2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 28404152 PSYIRWQFROJHIE-CQSZACIVSA-N 392.377 3.701 0 40 GHAB Cc1nc2ccccc2nc1N1CCN(CCOc2ccccc2Cl)CC1 30003824 QFJSZVBJKLJAQV-UHFFFAOYSA-N 382.895 3.793 0 40 GHAB COc1cccc(CNC(=O)CSc2nncc3c2[nH]c2ccc(F)cc23)c1 32752911 YTSKWGYFXLIWSK-UHFFFAOYSA-N 396.447 3.667 0 40 GHAB Nc1nc(CSCCC(=O)Nc2cccc(F)c2)nc(Nc2ccccc2)n1 32778777 FKLPIYXVLDGYPR-UHFFFAOYSA-N 398.467 3.599 0 40 GHAB CC(C)(C)C(=O)Nc1cccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 32906472 KUZQPLGDRAUJJN-UHFFFAOYSA-N 393.487 3.979 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1F 35271201 SGWOTDFKCFXPOJ-IRXDYDNUSA-N 383.467 3.812 0 40 GHAB COc1ccccc1CN1C(=O)c2ccccc2N[C@]12C(=O)Nc1ccccc12 36358751 YLNWXHGALSHJGW-QHCPKHFHSA-N 385.423 3.568 0 40 GHAB Cc1ccc(NC(=O)C[C@H](NC(N)=O)c2ccc(Br)cc2)cc1C 36390497 ORDKAQVWZJSWLQ-INIZCTEOSA-N 390.281 3.804 0 40 GHAB O=C(CCCc1ccccc1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 36396564 SQSPZBPMVZKUJE-NRFANRHFSA-N 386.923 3.852 0 40 GHAB CCC[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1ccccc1 37218938 KAACKNBHRPOLPP-DNVCBOLYSA-N 386.517 3.668 0 40 GHAB Cc1cccc(Cn2nccc2NC(=O)CCc2cnn(-c3ccccc3)c2)c1 40072337 BKLRALLVUSKWIU-UHFFFAOYSA-N 385.471 3.997 0 40 GHAB Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 44885076 PNVBGAISCCUAIL-ROUUACIJSA-N 388.533 3.644 0 40 GHAB Cc1nccn1-c1cc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)ccn1 47234401 DLYQCDNZEVXYOE-UHFFFAOYSA-N 398.470 3.569 0 40 GHAB CCN(Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)c1)C(C)=O 48353792 HLCVRNTZVNHXSU-UHFFFAOYSA-N 380.897 3.818 0 40 GHAB O=C(CCC(=O)c1ccc(F)cc1)NCc1ccc(N2CCCCCC2)nc1 48938957 QBZFQRSQIKISFK-UHFFFAOYSA-N 383.467 3.880 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1OC 51364455 NQHUASCELTXJBT-QGZVFWFLSA-N 390.439 3.862 0 40 GHAB Cc1cc(CN(C)C(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)no1 53464514 BVSWIXJZDHWJPK-UHFFFAOYSA-N 382.382 3.709 0 40 GHAB Brc1cccc([C@@H]2CN(Cc3cccc4c3OCCO4)CCO2)c1 60320650 WNMFIAQQTKWBQH-SFHVURJKSA-N 390.277 3.794 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1sccc1Br 60480024 LLTKCMWBICCYQP-UHFFFAOYSA-N 377.263 3.799 0 40 GHAB O=C(NC1CCCCCC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O 72280444 XYIDATXMLVYMPM-HXUWFJFHSA-N 380.488 3.989 0 40 GHAB O=C(Cc1cccnc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 72358820 PSWALSMRVZKDKD-KRWDZBQOSA-N 376.435 3.626 0 40 GHAB O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 72362661 LPNLGBYWRITEGH-HNNXBMFYSA-N 389.459 3.501 0 40 GHAB CCSc1nnc(NC(=O)CN(C)c2nc3c(Cl)cccc3s2)s1 77196771 NHMHHPLRUJKPLN-UHFFFAOYSA-N 399.954 3.988 0 40 GHAB CSc1ccccc1CN1CCC(CNC(=O)c2cc(C3CC3)on2)CC1 77200916 BONISTRQKAULGB-UHFFFAOYSA-N 385.533 3.916 0 40 GHAB O=C(c1ccc(I)c(F)c1)N1CC[C@H]1Cc1ccccc1 78995265 GFJXGGOJBYNJHW-AWEZNQCLSA-N 395.215 3.888 0 40 GHAB O=C(NCCc1nc2c(s1)CCCC2)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 89793792 VEPNFRQVLWZGQB-UHFFFAOYSA-N 393.516 3.657 0 40 GHAB COc1ccc(SCC(=O)N2CC(Oc3nc4ccccc4s3)C2)cc1 90594045 AOUNQGFJKBZFCY-UHFFFAOYSA-N 386.498 3.687 0 40 GHAB CCOC(=O)CN(C)Cc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 91695411 MQPZBSPJGMVTFN-UHFFFAOYSA-N 395.425 3.828 0 40 GHAB Cc1c(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cccc1OC(F)F 95959446 IFZGEFPWLJQTRH-UHFFFAOYSA-N 389.807 3.906 0 40 GHAB COc1cc(OC)c(C(=O)Nc2ccccc2C(=O)OC(C)(C)C)cc1OC 95985585 WJUVRAGSCGNEMR-UHFFFAOYSA-N 387.432 3.920 0 40 GHAB CCc1cccc(NC(=O)N2CC[C@]3(CC[C@H](C(=O)NCC4CC4)O3)[C@H](C)C2)c1 96261022 SYELLFLEQLRAFK-AYPBNUJASA-N 399.535 3.567 0 40 GHAB CCSC[C@H]1CCCN1C1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 206793003 XBZDHWIJFYIZOT-QGZVFWFLSA-N 391.537 3.629 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 219520654 AEJUKWYDQLAGJT-OXJNMPFZSA-N 389.517 3.742 0 40 GHAB CN(CCCC(=O)NCc1cccc2ccccc12)S(=O)(=O)c1ccccc1 222879297 QXNOPDCDIHNMDG-UHFFFAOYSA-N 396.512 3.557 0 40 GHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C(C)C 223263693 QGIFHVCJTHMERA-WOJBJXKFSA-N 385.581 3.615 0 40 GHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)c(OC)c1 224822956 JADNPEWUPGNKNP-UXHICEINSA-N 394.500 3.614 0 40 GHAB COc1ccc(NC(=S)NCc2ccccc2-n2ccnc2C)c(OC)c1 225449298 GDDWLZKCTWGATJ-UHFFFAOYSA-N 382.489 3.685 0 40 GHAB O=C(NC[C@@H]1CCCN1c1ccccn1)c1cc(Br)ccc1Cl 225630327 OUGGARBFTRBXJU-ZDUSSCGKSA-N 394.700 3.896 0 40 GHAB COc1ccccc1NC(=O)Nc1ccccc1C(=O)NCc1cccnc1 225768273 AFDIDQYSDWJMTN-UHFFFAOYSA-N 376.416 3.664 0 40 GHAB COc1ccccc1OC[C@@H](C)NC(=O)COc1cccc(C(F)(F)F)c1 225814819 MDTMXVUGMUQZST-CYBMUJFWSA-N 383.366 3.677 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)NCCNc2ccnc3cc(Cl)ccc23)c1 225927516 JHUIKUIOAJYAQX-UHFFFAOYSA-N 389.908 3.895 0 40 GHAB O=C(CCc1ccccc1)N1CC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306144853 ZQFDEPUBDPGDJP-OAQYLSRUSA-N 397.482 3.740 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C(N)=O 408596303 UCIGQXLPEWYRIQ-UHFFFAOYSA-N 392.786 3.567 0 40 GHAB Cc1c(Cl)cccc1N(CC(=O)NC1CCCCCCC1)S(C)(=O)=O 408623058 OQQPTCGZHHQMKC-UHFFFAOYSA-N 386.945 3.644 0 40 GHAB CC(=O)N1CCN(c2ccccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 408628816 BJDKRCJXLQYDTK-UHFFFAOYSA-N 395.547 3.900 0 40 GHAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccncc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409352393 YSDQEZCFTNNIMK-GLJUWKHASA-N 383.414 3.997 0 40 GHAB CCc1ccc(O)c(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 583621732 DCWZBNULVPUZHG-QGZVFWFLSA-N 385.464 3.599 0 40 GHAB C[C@@H](NC(=O)N1CCC[C@@H](n2ccnc2)C1)c1ccc(OC(F)(F)F)cc1 590850543 RKRBVKFWEAMPGF-UKRRQHHQSA-N 382.386 3.889 0 40 GHAB O=C(NCc1ccc(Br)s1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21 663694830 YPNMNELBRMTYJA-AEGPPILISA-N 381.270 3.787 0 40 GHAB CC(C)OC1CCC(NC(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)CC1 681527483 HLUIZRSIYGDGPS-UHFFFAOYSA-N 392.515 3.641 0 40 GHAB COc1cc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccccc4F)c32)ccc1O 61719155 SUULDDYNKHFGPZ-GFCCVEGCSA-N 396.374 3.503 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2N)cc1 3500125 XGUJOVYEOKASER-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB CCCCNC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 4133194 TUIBTDBQRIYVHS-UHFFFAOYSA-N 387.549 3.956 0 40 GHAB CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cn2)[C@H]1c1ccc(OC)cc1 24840623 ITXMEMBJJOFTPS-GHTZIAJQSA-N 381.476 3.727 0 40 GHAB Cc1csc2nc(COC(=O)c3csc(-c4ccsc4)n3)cc(=O)n12 25186793 FOHKPCFPKRJANV-UHFFFAOYSA-N 389.483 3.606 0 40 GHAB COc1ccc(OC)c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c1 4944661 DZCCXIJBYLZDJZ-MRXNPFEDSA-N 399.830 3.689 0 40 GHAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)cc1 6880812 PDJRLOHMBBKVFP-YYTPVVGHSA-N 377.462 3.853 0 40 GHAB Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1Cc1cccs1 7495114 XSPIQRRAUWPDSG-UHFFFAOYSA-N 383.498 3.869 0 40 GHAB CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 7872061 DJMHIGHNCDNOBG-CQSZACIVSA-N 392.496 3.744 0 40 GHAB CC[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[nH]c1=O)c1cccc(Cl)c1 56762232 WABDVPVRQRUXNR-SFHVURJKSA-N 396.878 3.604 0 40 GHAB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(O)cc2)CC1 57406133 OJHNJRKYWYBKCR-AWEZNQCLSA-N 393.409 3.560 0 40 GHAB Cc1cc(C)c(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 107691826 ZDCGIAXJQWLWHO-UHFFFAOYSA-N 394.924 3.666 0 40 GHAB CCCOC(=O)Cn1cnc2sc(C)c(-c3ccc(OCC)cc3)c2c1=O 1892830 RTOXELMZZQICRZ-UHFFFAOYSA-N 386.473 3.785 0 40 GHAB COc1ccc2cc(CN(C)C(=O)CN(C[C@H](C)O)c3ccccc3)ccc2c1 58180104 JNXFGWKUCWXKRX-SFHVURJKSA-N 392.499 3.694 0 40 GHAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)CC2)c1 100156160 NWWCHGXHUOQODA-GASCZTMLSA-N 397.504 3.909 0 40 GHAB Cc1ccc(N(CC(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 22328180 XHTLBZUONJKKFZ-GOSISDBHSA-N 388.533 3.564 0 40 GHAB C[C@H](Cc1cc(O)n2nc(-c3ccc(F)cc3)cc2n1)n1nnc2ccccc21 100775911 QTCHBTOPFDARHP-CYBMUJFWSA-N 388.406 3.789 0 40 GHAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(CN2C(=O)CNC2=O)cc1 58458178 GQJSYAIULTVMEA-UHFFFAOYSA-N 399.450 3.582 0 40 GHAB COc1ccccc1C(=O)c1c(NC(=O)Cn2ccnc2)sc2c1CCCC2 10809678 RAJOCZHRPHNOAP-UHFFFAOYSA-N 395.484 3.702 0 40 GHAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1ccccc1Cl 20151719 GNSZNYYLCXRZIT-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1C 10964770 UZQAZTBRGYPGHO-CQSZACIVSA-N 376.453 3.914 0 40 GHAB Cc1cc2c(nc1C)sc1c(SCC(=O)NCc3ccco3)ncnc12 12322163 MHHWHFROZNHHQA-UHFFFAOYSA-N 384.486 3.858 0 40 GHAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N(C)C(=S)N2C)cc1 3266545 MGTPBWUHAXLWOI-LJQANCHMSA-N 381.501 3.811 0 40 GHAB Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)oc2c(F)cccc12 12775004 ZRDMOYQZMSVIAW-UHFFFAOYSA-N 396.418 3.567 0 40 GHAB Cc1ccc(C)c(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)c1 12749616 PUOOFQRXHRBMMB-UHFFFAOYSA-N 382.489 3.698 0 40 GHAB CC(C)Cn1c(SCC(=O)N(C)c2ccccc2)nc2ccccc2c1=O 3301625 OBNWIWFBBXFYIP-UHFFFAOYSA-N 381.501 3.808 0 40 GHAB CN(C)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 3309229 YTVREDPDUNNWKW-UHFFFAOYSA-N 381.457 3.900 0 40 GHAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2c(C)nn(CCO)c2C)cc1 48375263 VUNODHWPFWJOQW-JOCHJYFZSA-N 390.487 3.567 0 40 GHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Cc1nc(-c2ccccc2)oc1C 12824030 GUPHDWDRDZAQGZ-UHFFFAOYSA-N 378.428 3.970 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(NCc3ccccc3)s2)c1 3490888 SYHNRTOIZTVJCX-UHFFFAOYSA-N 386.502 3.890 0 40 GHAB CCN(CC)C(=O)c1sc(NC(=O)C2CCCCC2)c(C(=O)OC)c1C 6046262 PMYQSYXVAYJROP-UHFFFAOYSA-N 380.510 3.844 0 40 GHAB CC(C)n1cnc([C@H]2CN(Cc3ccsc3)C[C@@]23CCN(CC2CC2)C3=O)c1 306139064 SOJBMFGFNBFBSR-KNQAVFIVSA-N 398.576 3.754 0 40 GHAB Cc1c(C)c2cc(Cl)c(O[C@H](C)C(=O)NCc3cccnc3)cc2oc1=O 5206550 QKOCRFXVQVIXCW-CYBMUJFWSA-N 386.835 3.542 0 40 GHAB CC[C@@H](c1nnc(SCC(=O)c2ccc[nH]2)n1Cc1ccccc1)N(C)C 4494491 ILHGLTBKGSUTAL-KRWDZBQOSA-N 383.521 3.642 0 40 GHAB O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@@H]1CCSc2ccc(F)cc21 14230030 ZYSYXOJIEBSPAZ-CXAGYDPISA-N 388.489 3.982 0 40 GHAB COc1ccc2[nH]cc(-c3csc(NC(=O)[C@@H]4CC(=O)OC4(C)C)n3)c2c1 96222346 JEHWABOARSZVDR-ZDUSSCGKSA-N 385.445 3.580 0 40 GHAB biogenic C[C@@H]1C[C@@H]1C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 5701960 LSRTYYSOTPGZAS-PVUWLOKVSA-N 386.835 3.810 0 40 GHAB CCCn1c(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OCO3)nc2ccccc21 28227243 UHFCZGPNAJTOQV-QGZVFWFLSA-N 381.432 3.971 0 40 GHAB CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@@H](C)Oc1ccc(OC)cc1 4943890 QFPBXIYNKICBGD-MRXNPFEDSA-N 395.459 3.870 0 40 GHAB O=C(NCCc1ccccc1F)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 7987559 MHBUQMGXGVRILC-CQSZACIVSA-N 394.368 3.556 0 40 GHAB CSCC[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1nc2ccccc2[nH]1 16645788 IOPUWFCBVYXFRK-KRWDZBQOSA-N 397.500 3.948 0 40 GHAB COCCNc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 16942733 VOHGVUAJMQNFED-UHFFFAOYSA-N 378.411 3.757 0 40 GHAB CC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c1 19911336 GBRMTRTYCZSNIB-UHFFFAOYSA-N 386.358 3.632 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2cccc(NC(C)=O)c2)N2CCCCC2)cc1 8772510 LTHKREXXEBQLBF-JOCHJYFZSA-N 395.503 3.611 0 40 GHAB COc1cc(CNC(=O)c2csc(-c3cccs3)n2)cc(OC)c1OC 9888210 YRVOSVJWMUCIDF-UHFFFAOYSA-N 390.486 3.827 0 40 GHAB CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@H]1c1ccccc1 95351028 COBBKWXXVZHBLJ-KBPBESRZSA-N 398.406 3.819 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2nc(-c3ccccc3)oc2C)n1 71025981 CDSKYQKFLZVNSJ-KRWDZBQOSA-N 390.443 3.597 0 40 GHAB O=C(NC1CCN(c2cc(-c3cccs3)n[nH]2)CC1)c1ccc(F)cc1F 98212836 UAZHKOOSBHTCNH-UHFFFAOYSA-N 388.443 3.815 0 40 GHAB O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cccc(F)c2)C1)C1CCCC1 95998719 QTICHJDFUKNAQR-INIZCTEOSA-N 384.455 3.697 0 40 GHAB COc1cccc([C@@H]2[C@@H](C(=O)NCc3ccc(C)c(F)c3)CC(=O)N2C2CC2)c1 95988696 NNFXPZPCUBSBFY-SIKLNZKXSA-N 396.462 3.511 0 40 GHAB CCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccco2)cc1 408841267 FBOQEPVZZLIIHS-UHFFFAOYSA-N 390.395 3.579 0 40 GHAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 72378454 HQLCYWFXDRHODZ-NRFANRHFSA-N 385.471 3.963 0 40 GHAB CC[C@@H](C)n1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3cccs3)nc21 36617077 QJDKCDRCTHBNJB-SECBINFHSA-N 375.475 3.940 0 40 GHAB CC[C@@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(C)cc1 216455421 OVLGAPWCFQKTRW-QGZVFWFLSA-N 394.924 3.682 0 40 GHAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C(=O)OC 225769191 IXQNEELUHXTQNN-UHFFFAOYSA-N 397.471 3.949 0 40 GHAB COc1cc(C(=O)N2CCS/C2=C/c2c(C)noc2C)cc(OC)c1OC 225247655 FGUDCYKAQUSUDN-LICLKQGHSA-N 390.461 3.505 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220521963 XOXZHNJQGQVESH-HNAYVOBHSA-N 392.496 3.556 0 40 GHAB CS(=O)(=O)N(CCCC(=O)NCC1=CCCCC1)c1ccccc1Cl 224668180 MOAIUPPKYKWOJF-UHFFFAOYSA-N 384.929 3.503 0 40 GHAB O=C(N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1)c1cccs1 145246862 BNKLRYPCKHKVII-LBPRGKRZSA-N 398.720 3.648 0 40 GHAB Cc1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@H]3C(=O)CCCC[C@H]32)cc1 95951668 KCTOZJBUOMNNBJ-KCZVDYSFSA-N 383.513 3.911 0 40 GHAB biogenic COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4)OCC[C@@]31C2 257294575 QUTAGSRUEWGNAZ-CSSXWCHRSA-N 387.520 3.730 0 40 GHAB CC(C)(CC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1)Cc1ccc(Cl)cc1 585082852 XWGKPWHVIOTIQM-QGZVFWFLSA-N 376.928 3.770 0 40 GHAB Cc1cccc(Nc2cccc([C@@H]3CN(c4nc(C)cc(C)n4)CCO3)n2)n1 257251298 JQDSGLQSHWPXPT-SFHVURJKSA-N 376.464 3.513 0 40 GHAB FC(F)(F)CN1CCC[C@H](CNc2nc(-c3cccnc3)nc3c2CCC3)C1 1655615136 XLTXAPMSSHRVGJ-CQSZACIVSA-N 391.441 3.714 0 40 GHAB CC[C@@H](CSc1ccccc1)NC(=O)N[C@@H]1CCCc2c1ccc(=O)n2C 650987124 OTBNNIKJRCLEBH-MAUKXSAKSA-N 385.533 3.633 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2cc(O)nc3cc(F)ccc23)c(C)c1OC 673384470 RFVNKOXOQDPDCK-GFCCVEGCSA-N 384.407 3.896 0 40 GHAB O=C(NCC1(c2ccc(Cl)cc2Cl)CCCC1)N[C@H](CO)CCF 1225328144 YRXRFFQQCWICLT-ZDUSSCGKSA-N 377.287 3.825 0 40 GHAB C/C(=C\c1ccccc1)C(=O)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390830323 KEVLMGQPHVGGGO-JJJPLKNQSA-N 375.515 3.540 0 40 GHAB COc1ccc(-c2n[nH]c3c2CCN(C(=O)Cc2ccccc2Cl)CC3)cc1 585110427 TYTVCKYEXLHKOQ-UHFFFAOYSA-N 395.890 3.909 0 40 GHAB O=C(Nc1cccnc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 97117613 YTWSVVFOTJSCSQ-UHFFFAOYSA-N 377.244 3.696 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 100099565 WZHPKMKGPOBFOJ-BGYRXZFFSA-N 390.439 3.759 0 40 GHAB Fc1c(-c2ccccc2)ncnc1N1CCN(Cc2csc(C3CC3)n2)CC1 1775970331 CBDARAORTYSFKE-UHFFFAOYSA-N 395.507 3.939 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1 5470431 OLTOFSQIVXEUQM-UHFFFAOYSA-N 382.441 3.923 0 40 GHAB Cc1cc(NC(=O)COC(=O)[C@@H](Sc2ccccc2)c2ccccc2)no1 5990144 VYZPIKUBPSAHQD-IBGZPJMESA-N 382.441 3.998 0 40 GHAB C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)c1nc(-c2cccnc2)n[nH]1 12114772 CDLSXRSDLLLNBD-CQSZACIVSA-N 379.439 3.695 0 40 GHAB CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2CCOC)c1 12351635 SRKMKFPIGXKPKF-UHFFFAOYSA-N 396.516 3.885 0 40 GHAB Cc1ccc(Cc2cnc(NC(=O)c3ccccc3S(C)(=O)=O)s2)cc1 12687895 LSMZIXJAEIMDBN-UHFFFAOYSA-N 386.498 3.698 0 40 GHAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN(C(=O)c2cccs2)C1 12947358 GNGBKOHKSQJBQM-GFCCVEGCSA-N 375.519 3.574 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(OC)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712007 NYZJTIKTNRNKAI-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(C2SCCS2)cc1 15378968 NJRHFRICPOVNBJ-UHFFFAOYSA-N 387.526 3.909 0 40 GHAB O=C(NC(=S)/N=c1\[nH]c2ccc(O)cc2s1)c1cc(Cl)ccc1Cl 17081419 FBINTWXGBDUMHX-UHFFFAOYSA-N 398.296 3.857 0 40 GHAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2cc(C)no2)cc1 19209657 XVKUMHHTZNGOBG-IBGZPJMESA-N 378.476 3.988 0 40 GHAB CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CCOC)C3)noc2n1 19521951 QAYPGJFJQRMQHS-LLVKDONJSA-N 385.386 3.547 0 40 GHAB COc1ccc(CCC(=O)N2CCC[C@H]2c2ccc(-c3cnn(C)c3)cn2)cc1 19691773 VHQLQHPYJMTPHP-QFIPXVFZSA-N 390.487 3.787 0 40 GHAB CNc1cc(C(=O)N2CCO[C@H](c3ccc(-c4ccccc4F)cn3)C2)ccn1 19692489 MQJVHCCFNKVQIK-FQEVSTJZSA-N 392.434 3.538 0 40 GHAB Cc1nc(C)c(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)[nH]1 19937548 JLVKXSLXFMDTLV-UHFFFAOYSA-N 393.287 3.606 0 40 GHAB CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)N3CCC[C@H](C)C3)cc2)cc1 4827708 CVVYMZZOCZWHLU-INIZCTEOSA-N 395.455 3.694 0 40 GHAB Cc1ccc(OC(F)F)c(C(=O)CSc2nnnn2-c2ccccc2)c1 5652079 GNJRRMPCBHOQIY-UHFFFAOYSA-N 376.388 3.547 0 40 GHAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037912922 DLLGXCKOFSOOKZ-FQEVSTJZSA-N 395.833 3.593 0 40 GHAB CCN1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C(N)=O)C1 4087103 IAFDJEMINVHYRT-UHFFFAOYSA-N 379.485 3.631 0 40 GHAB CC1(C)COc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc2NC1=O 9168718 CPMIHMGTMGDWAY-UHFFFAOYSA-N 398.843 3.637 0 40 GHAB COc1ccc(-c2cc(CNC(=O)C(=O)c3c(C)[nH]c4ccccc34)no2)cc1 12638257 QVWMONFIRFCAMD-UHFFFAOYSA-N 389.411 3.639 0 40 GHAB Cn1cccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)c2ccccc23)c1=O 2055812485 VAPMGHKXKFQJIR-UHFFFAOYSA-N 399.494 3.711 0 40 GHAB CC(C)(C)c1ccc(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1 1775965918 KJJZKRHJIYUWKA-UHFFFAOYSA-N 379.504 3.896 0 40 GHAB O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1ccc(Cn2ccnc2)cc1 38754059 MZGLZXUKSWOWGH-UHFFFAOYSA-N 394.381 3.795 0 40 GHAB COc1cc(CNC(=O)c2ccc(Cl)cc2F)ccc1OC[C@@H]1CCCO1 36395485 ITOMJOUSPORIGI-HNNXBMFYSA-N 393.842 3.976 0 40 GHAB Cc1c(C(=O)N[C@H](c2ccccc2F)c2nccn2C)cnn1-c1ccccc1 30000222 QGLNTMRPQSBXRI-HXUWFJFHSA-N 389.434 3.573 0 40 GHAB O=C(CSc1ccc2c(c1)CCC2)N1CCC[C@@H](c2nnc3ccccn23)C1 40011983 FNAJUQQCARUGHI-GOSISDBHSA-N 392.528 3.716 0 40 GHAB Cc1ccccc1OCCN(C)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 40104609 LSKVEXZBZUGUNY-UHFFFAOYSA-N 392.463 3.526 0 40 GHAB C[C@H]1CN(C(C)(C)CNC(=O)C2c3ccccc3Oc3ccccc32)C[C@H](C)O1 21055771 NSBSZOGEGJQLOO-IRXDYDNUSA-N 394.515 3.928 0 40 GHAB O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(S(=O)(=O)C(F)F)cc1 32674373 JSSKTFPTBWXULH-UHFFFAOYSA-N 379.428 3.743 0 40 GHAB CCOC(=O)[C@H]1CCCCN1Cc1cc(=O)oc2cc(CC)c(Cl)cc12 32753402 VVZLBQUNWDWROQ-QGZVFWFLSA-N 377.868 3.926 0 40 GHAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCO[C@H](c2ccc(F)cc2)C1 32771270 YDORQSCMCACFMQ-INIZCTEOSA-N 390.263 3.895 0 40 GHAB COCCSCC(=O)Nc1ccc(Br)cc1Br 32779154 ZKAJPEUERUFQIU-UHFFFAOYSA-N 383.105 3.530 0 40 GHAB Cc1cccc(-n2ncc(C(=O)Nc3cccc(-c4nc(C)cc(=O)[nH]4)c3)c2C)c1 32933480 UHMGTYKIMPIJIY-UHFFFAOYSA-N 399.454 3.800 0 40 GHAB Cc1sc2nc([C@@H](C)Nc3ccccc3N3CCOCC3)[nH]c(=O)c2c1C 33487648 IYRMVPBXFGTRJA-CYBMUJFWSA-N 384.505 3.611 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1OC[C@H]1CCCO1 22692631 HMEFYLYEBVQDRN-QUCCMNQESA-N 398.503 3.794 0 40 GHAB c1nnc(N2CCCCC2)c2c1Sc1c(cnnc1N1CCCCC1)S2 641781 DAOFHSHVGMLUIZ-UHFFFAOYSA-N 386.550 3.863 0 40 GHAB CC1CCN(C(=O)C2CCN(Cc3ccc(Br)cc3)CC2)CC1 819216 RUFQWQTVAYCRNQ-UHFFFAOYSA-N 379.342 3.920 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C 905010 NHFMXSLPXPKEMW-CYBMUJFWSA-N 394.928 3.541 0 40 GHAB CCCC[C@H](C(=O)OCC(=O)c1ccc(C)cc1)N1C(=O)c2ccccc2C1=O 2064567 GHMZLLSBOUHSLO-LJQANCHMSA-N 393.439 3.576 0 40 GHAB COc1ccccc1-c1nnc(SCc2ccccc2C(F)(F)F)n1N 3368443 ZJVJFIFYNZZGLP-UHFFFAOYSA-N 380.395 3.979 0 40 GHAB Cc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O 3421532 VWEXZTSCPSDVMK-QHCPKHFHSA-N 393.487 3.698 0 40 GHAB O=C(CC(c1ccccc1)c1ccccc1)OCn1nnc2ccccc2c1=O 3444964 JBQHNKRWFAMYDQ-UHFFFAOYSA-N 385.423 3.514 0 40 GHAB Cc1cc(OCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)ccc1Cl 3487413 ZAQGOMAKVJSZDZ-IBGZPJMESA-N 387.863 3.764 0 40 GHAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)N1CCc2ccccc21 3544927 YKAKRSMMXGTXCB-ZDUSSCGKSA-N 382.464 3.691 0 40 GHAB O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 3569915 BVHUGWQAEUFVDF-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 4171776 YZTAPIFIOPKYTP-OTWHNJEPSA-N 384.863 3.903 0 40 GHAB COc1cccc(-n2c(SCc3cccnc3)nc3c(c2=O)SCC3)c1 4272458 WJVXZTOHPMEVIP-UHFFFAOYSA-N 383.498 3.577 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(s1)CCc1ccccc1-2 4325491 TUVPUUQOVTXCGK-UHFFFAOYSA-N 398.509 3.711 0 40 GHAB Cc1ccccc1-n1ncc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)cnc21 4479062 NVKUFOFTXWPNPS-UHFFFAOYSA-N 384.361 3.958 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)N3CC[C@H](C)Sc4ccccc43)nc2n1 4523466 LCXAHEMQYRMNNR-AWEZNQCLSA-N 399.545 3.751 0 40 GHAB COC(=O)c1sc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)nc1C 4524917 ZOXJQEWAOSQSCE-UHFFFAOYSA-N 391.518 3.662 0 40 GHAB CCOc1ccc([C@@H](CC(=O)O)NC(=O)c2c(-c3ccccc3)noc2C)cc1 4602529 RUQBAXSNERZBNX-GOSISDBHSA-N 394.427 3.995 0 40 GHAB CCc1ccc(OCc2nnc(SCC(N)=O)n2[C@@H](C)c2ccccc2)cc1 4987779 KDNIKHNLPOSUIF-HNNXBMFYSA-N 396.516 3.606 0 40 GHAB COc1ccc([C@H]2CC(c3cc(Cl)ccc3OC(C)=O)=NN2C(C)=O)cc1 5047285 SVBBZDNIILDWPY-LJQANCHMSA-N 386.835 3.972 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1ccc(C)cc1 5255039 QODYLVOYOXZSDS-UHFFFAOYSA-N 378.428 3.605 0 40 GHAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1ccccc1C(=O)c1ccccc1 5681730 NRVVTWYCFPNSTQ-DENIHFKCSA-N 376.500 3.912 0 40 GHAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 6082061 OOHAEXSRRGMITG-CABCVRRESA-N 394.500 3.734 0 40 GHAB Cc1sc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCC1 6679677 BWQJYPRTPCTYTQ-UHFFFAOYSA-N 384.910 3.747 0 40 GHAB CCC[C@H](C)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 6907340 OYJRUXODQSDJPV-ZDUSSCGKSA-N 387.530 3.844 0 40 GHAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7061571 FFJWQNOIVAJVJM-JOCHJYFZSA-N 391.427 3.708 0 40 GHAB O=C1/C(=C/c2cccc(O)c2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 7335811 SCHGOGQDKVZFKJ-ZROIWOOFSA-N 380.347 3.553 0 40 GHAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 7726650 DKCVSGNAZPJLIG-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB COC(=O)C1=C(CSCc2ccco2)NC(=O)N[C@@H]1c1ccc(C)cc1C 8306814 OHMMGZCPRWZPRK-GOSISDBHSA-N 386.473 3.611 0 40 GHAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O 8328176 STDIHCGJORZPHI-GOSISDBHSA-N 384.304 3.739 0 40 GHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc2ncsc2c1 8390892 JJLZSFRXQWUSIH-UHFFFAOYSA-N 396.497 3.995 0 40 GHAB COc1cc(OC)cc(C(=O)N(C)Cc2cc(Br)ccc2OC)c1 8728157 AZJPSUQEMIPAMS-UHFFFAOYSA-N 394.265 3.747 0 40 GHAB O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCCc1ccccc1)c1ccccc1 9131224 ZXQYCDSNTYJRQT-KRWDZBQOSA-N 391.496 3.784 0 40 GHAB CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cccc(C)c3)ccc21 9166255 MTWBMUAVYLAHTJ-UHFFFAOYSA-N 388.489 3.567 0 40 GHAB C[C@@H](NC(=O)COCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 9355358 OQHUNJQYSFDRKH-CYBMUJFWSA-N 380.366 3.538 0 40 GHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCCCC2)cc1 9503227 RDALXKLEFHQSQM-QFIPXVFZSA-N 377.488 3.859 0 40 GHAB C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)N1CCCc2ccccc21 9503815 UUBMMDOLGPUNCT-OAHLLOKOSA-N 378.501 3.942 0 40 GHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H](C)c1ccccc1 9646555 MOHRRKMUFYNSCJ-GFCCVEGCSA-N 375.471 3.727 0 40 GHAB COC(=O)c1ccccc1N(C)C(=O)CSc1ccc(C(F)(F)F)cn1 10348424 QSGUMWLXPVSMDM-UHFFFAOYSA-N 384.379 3.642 0 40 GHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(F)cc1)S(C)(=O)=O 10366904 SPASMJRMOJOPAY-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB O=C1O[C@@H](C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)Cc2ccccc21 10986270 CVRSDNQCUOEVOD-QGZVFWFLSA-N 393.468 3.617 0 40 GHAB CC(C)(CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)N1CCCCC1 11552522 HSLXSQDVOHMFFE-UHFFFAOYSA-N 398.507 3.596 0 40 GHAB COc1ccc(-c2n[nH]cc2CN(CC2CCC2)C[C@@H]2CCCO2)c(OC)c1 11663453 GBPIXSFGIWDFTB-IBGZPJMESA-N 385.508 3.875 0 40 GHAB COc1ccc2cc(C(=O)N3CCC(O)(c4cccc(C)c4)CC3)n(C)c2c1 12148709 UPKYWEQRJHGRCJ-UHFFFAOYSA-N 378.472 3.619 0 40 GHAB COc1ccc(CN2CC[C@@H](c3cc4nc(C)c(C)c(O)n4n3)C2)c(C)c1C 12255353 CPBIVSZAZQYLPI-GOSISDBHSA-N 380.492 3.667 0 40 GHAB O=C(CNC(=O)NCCc1ccccc1F)Nc1cc(Cl)ccc1Cl 12822787 SMIONCAUYAHNDO-UHFFFAOYSA-N 384.238 3.613 0 40 GHAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 12934557 XOKYDZKEYOKQBI-LLVKDONJSA-N 379.243 3.994 0 40 GHAB Cc1ccccc1NC(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 13364846 HSHZYQNJHLLXOW-UHFFFAOYSA-N 393.491 3.820 0 40 GHAB Cc1ccc(C(=O)COC(=O)[C@H]2CS[C@H](c3cccc4[nH]ccc34)N2)cc1 13573163 GUKJKVSZPXALBX-UYAOXDASSA-N 380.469 3.606 0 40 GHAB CC[C@H](C(=O)Nc1ccc(Cl)cc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715424 HAAMAUQLHWWOSC-QGZVFWFLSA-N 398.887 3.971 0 40 GHAB CC[C@H](C(=O)N(C)Cc1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716057 CPEZPUSWOQFNKT-HXUWFJFHSA-N 388.533 3.507 0 40 GHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@@H]3CCOc4ccccc43)c12 14900695 BBLAPZIAGMSBMN-MRXNPFEDSA-N 388.427 3.790 0 40 GHAB CCOc1ccc(Nc2ncccc2C(=O)OCc2ccc(C(N)=O)cc2)cc1 16547737 KWXKWUIPFFNYPR-UHFFFAOYSA-N 391.427 3.680 0 40 GHAB Cc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 16844783 LJYUGNJVAORPRF-UHFFFAOYSA-N 378.819 3.970 0 40 GHAB Cc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)cc1F 17121069 PGBMCKRFDHUDRH-UHFFFAOYSA-N 376.457 3.836 0 40 GHAB O=C1NCCN(Cc2ccc(F)cc2)C[C@H]1Cc1cccc(-c2cccnc2)c1 19331506 CJAXNIZYYZIDQH-JOCHJYFZSA-N 389.474 3.678 0 40 GHAB O=C(Nc1ccccc1OC[C@@H]1CCCCO1)[C@@H]1CCCN(c2ccccn2)C1 19349956 JBTWYULLUMZOFM-MOPGFXCFSA-N 395.503 3.885 0 40 GHAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccccc2)ncc1C(=O)N1CCCCC1 19765706 XGPKUZNNKGRDDT-FQEVSTJZSA-N 392.503 3.779 0 40 GHAB CCOc1ccc(CCCNC(=O)CSc2ccc(OC)cc2)cc1OC 20452299 UHLZCVPIRCWZLW-UHFFFAOYSA-N 389.517 3.944 0 40 GHAB Cc1nc(NC(=O)[C@@H]2CC2(Cl)Cl)sc1Cc1ccc2c(c1)OCO2 21320379 JPOHWDXACATEQT-JTQLQIEISA-N 385.272 3.903 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCC2)cc1 21805483 NHKOGLLAIKBLEF-GOSISDBHSA-N 397.500 3.979 0 40 GHAB Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCCC3)c(O)n2n1 22625929 ZGXLHIPUCCWHNU-CYBMUJFWSA-N 393.310 3.753 0 40 GHAB O=S(=O)(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1 22907943 GAYUMTPUTHFONF-FQEVSTJZSA-N 398.553 3.826 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 23023694 DWPKDSZEWLTHGT-IEBWSBKVSA-N 398.528 3.973 0 40 GHAB O=C(COc1ccccc1)OCC(=O)c1cccc(NC(=O)c2ccccc2)c1 27490546 JMCRAWUJXABCDE-UHFFFAOYSA-N 389.407 3.744 0 40 GHAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 27824400 LYYXGYKFOWWPCI-OKILXGFUSA-N 375.918 3.625 0 40 GHAB CCOC(=O)c1sc2ncnc(N3CCO[C@H](c4ccccc4)C3)c2c1C 29524621 QHJSYZFSFVCIPK-HNNXBMFYSA-N 383.473 3.754 0 40 GHAB CC(C)c1c(C(=O)NCc2ccnc(N3CCCC3)c2)cnn1-c1ccccc1 30603506 LODRYVGAILODFY-UHFFFAOYSA-N 389.503 3.921 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)Cc1csc(-c2ccco2)n1 31451975 HLCQKQWYIDUOMA-UHFFFAOYSA-N 389.864 3.696 0 40 GHAB C[C@@H](C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)n1nnc(-c2cccc(F)c2)n1 32887829 DYBXNHXGRHSAJT-ZDUSSCGKSA-N 395.438 3.908 0 40 GHAB C[C@@H]1Cc2cc(-c3cc(CC(=O)NCc4c(F)cccc4F)no3)ccc2O1 35592873 TXYYSCRNCVFJNN-GFCCVEGCSA-N 384.382 3.802 0 40 GHAB COc1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CCCCC4)cc1OC 36358160 WQYNSGFSEMGLAW-UHFFFAOYSA-N 398.484 3.627 0 40 GHAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1cccc3nccnc13)CC(O)=N2 36360864 PURSPGKPQSUTRF-GFCCVEGCSA-N 391.822 3.691 0 40 GHAB COC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(-c3ccc(F)cc3)nn12 36615674 SDIGJFJOLDPOON-UHFFFAOYSA-N 377.375 3.998 0 40 GHAB COc1ccc(-n2nc(C)c3c(C(=O)NCc4ccco4)cc(C)nc32)cc1 36617042 IJUGBLHYPDDLCM-UHFFFAOYSA-N 376.416 3.569 0 40 GHAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc(Br)s1 40072310 ITTPKPLKBJULDP-LBPRGKRZSA-N 395.278 3.880 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@H](C)c2ccccc2F)cs1 40130375 HTDPSLPSTAJPRH-NSHDSACASA-N 387.436 3.856 0 40 GHAB Cc1cc(CN2CCC(CNC(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)o1 43973033 MDDWTNYQVHGSOQ-UHFFFAOYSA-N 385.464 3.659 0 40 GHAB CCCc1nnsc1C(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 44204280 CYKHFYQCFQFKRM-LLVKDONJSA-N 389.506 3.622 0 40 GHAB Cc1ccc(NC(=O)CN2CCC(c3nnc(C(C)C)o3)CC2)cc1Cl 49377270 GDAXIYIPBGOQEV-UHFFFAOYSA-N 376.888 3.973 0 40 GHAB O=C(COc1coc(CN2CCSCC2)cc1=O)c1ccc2ccccc2c1 49547138 UDAZATFLLAZHTG-UHFFFAOYSA-N 395.480 3.604 0 40 GHAB O=C(NC[C@@H]1COCCO1)c1sc(-c2ccccc2)nc1-c1ccccc1 55846412 IDJUJBIJFOMNLE-QGZVFWFLSA-N 380.469 3.622 0 40 GHAB CCc1ccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(CC)cc2=O)cc1 57508094 YUFILSASVLTIIX-UHFFFAOYSA-N 379.435 3.813 0 40 GHAB CCc1ccc(CNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)s1 58282399 PDWPAYIIMFQRAV-CQSZACIVSA-N 378.441 3.532 0 40 GHAB Cc1cccc(COc2ccc([C@@H](C)NC(=O)N[C@@H](C)Cn3cncn3)cc2)c1 69825792 ZZJTZRKPSQWGJK-ZWKOTPCHSA-N 393.491 3.614 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 71925893 NOLMXTQOKLFZRU-RXVVDRJESA-N 384.520 3.930 0 40 GHAB CN(CC(=O)N(C)Cc1ccc(F)cc1)Cc1csc(Br)c1 72032425 PNRIPUXLUGOTLN-UHFFFAOYSA-N 385.302 3.740 0 40 GHAB CCCCCSc1nc2ccc(NC(=O)[C@H]3CCS(=O)(=O)C3)cc2s1 72295402 LDIMDKRPILUVIU-LBPRGKRZSA-N 398.575 3.952 0 40 GHAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NS(=O)(=O)Cc2ccccc2)C1 77100738 JYHJLNDBNODPAG-OALUTQOASA-N 388.489 3.666 0 40 GHAB O=S(=O)(c1ccccc1)N1CCCC12CCN(Cc1cccc(F)c1)CC2 96075187 HYQAQGDBPXJTKS-UHFFFAOYSA-N 388.508 3.645 0 40 GHAB Cc1cc(S(=O)(=O)NCC2(Sc3ccccc3)CCOCC2)ccc1F 96331177 UHYRGAISESMTGB-UHFFFAOYSA-N 395.521 3.754 0 40 GHAB CCOC(=O)[C@@H](NC1CCN(c2ccc(CC)cc2)CC1)c1cccc(O)c1 97102665 NTIWUPPMKYFGKW-QFIPXVFZSA-N 382.504 3.817 0 40 GHAB O=C(c1n[nH]c(=O)c2ccccc12)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166561 GLULBDLCSSQEBG-IAGOWNOFSA-N 377.419 3.613 0 40 GHAB C[C@H]1C=CC[C@@H]2C(=O)N(c3ccc(OCC(=O)c4ccccc4)cc3)C(=O)[C@H]12 102083518 BCVYHLCHQZPGKH-PAXLWEDBSA-N 375.424 3.650 0 40 GHAB Cc1ccc(C)c(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)c1 102550028 IDKYBZMYPHBREK-LRGYGIHKSA-N 387.435 3.834 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COC[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106219802 DBSDEURTFPMJNX-VNYTWHDVSA-N 392.971 3.584 0 40 GHAB CC(C)(C)c1ccc(OCCNC(=O)c2cccc(CN3CCOCC3)c2)cc1 110678041 PPEGZJJLAJIJSC-UHFFFAOYSA-N 396.531 3.625 0 40 GHAB COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 113876416 KFZUCUVMEFIVPI-UHFFFAOYSA-N 392.235 3.501 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)c1ccccc1 217429017 QJYZNUCMVCFUMF-KGLIPLIRSA-N 376.478 3.635 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc3c(C)cc(=O)[nH]c3cc2Cl)c(C)c1 217429020 NFVVVSCUAYAGDH-UHFFFAOYSA-N 376.865 3.908 0 40 GHAB CC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220557503 OFENKTGNUJSJON-FQEVSTJZSA-N 388.533 3.507 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(F)cc1 222480369 ULHOBPMBPQVXEQ-INIZCTEOSA-N 388.508 3.531 0 40 GHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)S1 222600945 VSUZGBJXGXKHDM-YSGRDPCXSA-N 375.501 3.916 0 40 GHAB Cc1ccc(N(CCCC(=O)NCC2CCCCC2)S(C)(=O)=O)c(C)c1 224647843 YSJCMXFQMRKHJS-UHFFFAOYSA-N 380.554 3.546 0 40 GHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1CCCNc1ccccc1 225034631 LNBXIOJXIDFQBZ-VQTJNVASSA-N 377.517 3.884 0 40 GHAB CCc1ncnc(O[C@H]2CCN(C(=O)c3csc(-c4ccccc4)n3)C2)c1F 239808090 KGXRHGLZLJXIER-AWEZNQCLSA-N 398.463 3.595 0 40 GHAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](C(=O)N[C@@H](C)c4ccncc4)[C@@H]31)O2 248337218 PNVBLKVSKMUJPI-OVZAXNLWSA-N 376.456 3.627 0 40 GHAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)[C@@H]3CCCCO3)CC2)n1 257309038 TZHBHCDMLIEBHC-FQEVSTJZSA-N 383.492 3.883 0 40 GHAB COc1ncccc1CN1CC[C@]2(C1)CN(Cc1ccccc1)c1cccnc12 306135813 PBUIMRCZGKDCMS-DEOSSOPVSA-N 386.499 3.649 0 40 GHAB Cc1ncsc1CN1CC[C@@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306143276 XXQHZCPSAYJRKX-HXUWFJFHSA-N 384.480 3.629 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1)N1CCCCC1 408595899 VXPIVIFUEDYRLM-UHFFFAOYSA-N 395.431 3.783 0 40 GHAB COc1ccc(N(Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccccc2)cc1 408822027 CWCXFURGHZNCDQ-UHFFFAOYSA-N 397.452 3.789 0 40 GHAB CN(C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)c1ccc(-c2nccs2)cc1 519808345 JMAXSBBVTUTQGN-SJLPKXTDSA-N 382.489 3.674 0 40 GHAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N4C[C@H]5[C@H]6C=C[C@@H](O6)[C@H]5C4)cc3)o2)c1 564776891 FEWXHIPJNVXBFA-PLACYPQZSA-N 399.450 3.737 0 40 GHAB COc1ccc(C(=O)NCCn2nc(C)c(-c3ccsc3)c2C)cc1OC 575612339 BEEMNOUTDRQJFQ-UHFFFAOYSA-N 385.489 3.676 0 40 GHAB COc1ccc([C@@H](NC(=O)NCc2nc3ccccc3n2C)C(C)C)cc1OC 604419342 CDKOQJXVICHJHE-NRFANRHFSA-N 396.491 3.787 0 40 GHAB COc1cccc(C2(NC(=O)Nc3ccc(-c4ncn(C)n4)cc3)CCC2)c1 666630251 QGXSQGSJGKMPMI-UHFFFAOYSA-N 377.448 3.692 0 40 GHAB O=C(c1cc2c(Cl)c(Cl)ccc2[nH]1)N1CCC[C@H](Cn2ccnn2)C1 676944008 UROGSGNLQYFLJY-NSHDSACASA-N 378.263 3.619 0 40 GHAB C=CC(=O)N(CC)CC(=O)N1Cc2cc(OC)ccc2C[C@@H]1C1CCCCC1 1545471735 LRDYCSJAZUMDAG-OAQYLSRUSA-N 384.520 3.563 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1ccc(-c2cccs2)o1 1775966865 IUOHYDVBLTUAHD-CYBMUJFWSA-N 397.905 3.982 0 40 GHAB O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@@H](c2ccccc2O)O1 710016 RZQUKKIOXLJTJB-AUSIDOKSSA-N 391.423 3.943 0 40 GHAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1ccc(Br)cc1 819035 QBUDEWVBCXLTHP-NWDGAFQWSA-N 388.283 3.885 0 40 GHAB COc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3c2CCC3)cc1 1081043 GVSVBPVMZQVNDO-UHFFFAOYSA-N 384.379 3.999 0 40 GHAB Cc1ccc2c(c1)c1nnc(SCC(=O)N(C)C3CCCCC3)nc1n2C 1366114 CFCRELDGXIRSLI-UHFFFAOYSA-N 383.521 3.708 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)c(Cl)c1 1393207 VHPRQWUAUXARPK-UHFFFAOYSA-N 378.881 3.596 0 40 GHAB CCOc1ccc2ccccc2c1[C@H]1NC(=S)NC(C)=C1C(=O)OC(C)C 1467303 LXUYQOSJQARBPW-IBGZPJMESA-N 384.501 3.983 0 40 GHAB CCC(=O)N(c1ccccc1)C1(C(=O)O)CCN(CCc2ccccc2)CC1 2244176 OMCWIVZSDHKRRQ-UHFFFAOYSA-N 380.488 3.592 0 40 GHAB CCCCc1nc2sc3c(N4CCN(C)CC4)ncnc3c2c2c1CCC2 2425986 ZLVQEUGHUSNGOE-UHFFFAOYSA-N 381.549 3.823 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 2643449 RMSCPZCCTIBLGZ-UHFFFAOYSA-N 391.345 3.874 0 40 GHAB NC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CCCCC2 2761764 LISXULOOSUONNS-UHFFFAOYSA-N 378.881 3.787 0 40 GHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)c2ccc(C)cc2)cc1 3270764 JCMVRFCZPLZINR-MJGOQNOKSA-N 380.473 3.546 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(-c3cccs3)o2)c(OC)c1 3355743 NZMLURFTZCRRFB-UHFFFAOYSA-N 377.447 3.546 0 40 GHAB COc1ccc(C(C)(C)C)cc1NC(=O)CCS(=O)(=O)c1ccccc1 3421122 IAGOTPXHZOWBHP-UHFFFAOYSA-N 375.490 3.795 0 40 GHAB COc1ccc(C(=O)c2ccccc2)c(OCC(=O)NCc2cccs2)c1 3477641 MIDRIRQZRIHZRT-UHFFFAOYSA-N 381.453 3.683 0 40 GHAB O=C1/C(=C\c2cccs2)NC(=S)N1C(=O)c1ccc(Cl)cc1Cl 3886921 WUHFXHNNUALMJW-KPKJPENVSA-N 383.281 3.953 0 40 GHAB COc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 4570672 HASCLYLAZUADFC-UHFFFAOYSA-N 388.514 3.648 0 40 GHAB NC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 4735527 MDPZEDQEHGQWRJ-QHCPKHFHSA-N 381.435 3.865 0 40 GHAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCCC3=CCCCC3)ccc2c1=O 4791196 VRYSVYJKCOZZPE-UHFFFAOYSA-N 383.492 3.500 0 40 GHAB CCOc1ccccc1NC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 4888435 TWEHFHRULGFEPM-UHFFFAOYSA-N 381.476 3.820 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2cc3c(cc2Br)OCO3)c1C 5168400 XBTRLAWDDAZAQF-UHFFFAOYSA-N 394.221 3.682 0 40 GHAB CC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 5403206 GBBGZEIKTRJDOR-UHFFFAOYSA-N 376.869 3.845 0 40 GHAB COc1ccccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 5558437 YOFHDENVMXGSHC-UHFFFAOYSA-N 385.423 3.706 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1 6322297 NMRRHDIWEFYSAW-UHFFFAOYSA-N 394.924 3.988 0 40 GHAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 6539690 DWCDQRFSCKWEAC-OAHLLOKOSA-N 384.505 3.839 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)cc1 6841757 KLUVXUNRTWERPK-UHFFFAOYSA-N 392.908 3.688 0 40 GHAB CNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 7312682 VBNDNYHNGWVQIX-UHFFFAOYSA-N 379.441 3.612 0 40 GHAB Cc1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1C1CC1 7617482 NZFLNVMUULTSKX-UHFFFAOYSA-N 389.481 3.915 0 40 GHAB COc1cc(CSc2nnc(C)n2C2CC2)c(OC)cc1Br 7617834 JXQZYVGQFQYAFT-UHFFFAOYSA-N 384.299 3.993 0 40 GHAB CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 8075406 PAFJPJCUTWRVJW-SFHVURJKSA-N 378.831 3.637 0 40 GHAB COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 8169038 YBUKSBQDDIYUQK-CXUHLZMHSA-N 386.404 3.509 0 40 GHAB COc1ccc(CCNC(=O)c2csc(-c3ccc(F)cc3)n2)cc1OC 8276830 XMWKIHZPEVXPOD-UHFFFAOYSA-N 386.448 3.939 0 40 GHAB COc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 8323807 ARBPUOMHCCVWBA-UHFFFAOYSA-N 382.441 3.771 0 40 GHAB O=C(Nc1ccccc1N1CCOCC1)c1occc1COc1ccccc1 8707950 SKOPQYILLHEYPI-UHFFFAOYSA-N 378.428 3.948 0 40 GHAB CC[C@H](C)[C@@H](CO)NC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O 8764356 JXBLFUWWCZGAPH-MEDUHNTESA-N 385.460 3.530 0 40 GHAB biogenic O=C(NCc1ccccc1CN1CCCC1)c1cccnc1SC(F)F 8848196 PKAOWZAJMKWBRO-UHFFFAOYSA-N 377.460 3.922 0 40 GHAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccc2ccccc12 9494646 SPOVRPUYFBSJCK-OAQYLSRUSA-N 397.434 3.667 0 40 GHAB COc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 9699815 VODQCARNDXCKLJ-LBPRGKRZSA-N 378.350 3.706 0 40 GHAB CCCn1cc(C(=O)Nc2nc(C)cs2)c2nn(-c3ccccc3)c(=O)c-2c1 10062676 BIIWOZNNXFECNF-UHFFFAOYSA-N 393.472 3.566 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)c(C)c1 10750226 WJVWVHPLYFMJDL-MRXNPFEDSA-N 381.476 3.878 0 40 GHAB CCN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)c1ccccc1F)c1ccccc1O2 12086485 KRQDLQKVUZKODH-CVDCTZTESA-N 396.462 3.851 0 40 GHAB Cc1ccc(Oc2ccc(CNC(=O)c3cc(-c4cnn(C)c4)[nH]n3)cc2)cc1 12116932 JYDWIBBTLDXLQY-UHFFFAOYSA-N 387.443 3.841 0 40 GHAB CCn1ncc(C(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)c1C 12132368 XGNVTMBPDZJPCD-UHFFFAOYSA-N 382.489 3.556 0 40 GHAB CCC(=O)N1CCCc2cc([C@H](O)CN3CCC(C(F)(F)F)CC3)ccc21 12291593 BRNNJBRJPJHROI-GOSISDBHSA-N 384.442 3.684 0 40 GHAB Cc1ccc([C@H](C)C(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)cc1 12407987 ODXXBEQQKJKAHD-HNNXBMFYSA-N 392.459 3.655 0 40 GHAB Cc1ccc(C)c(-n2cnn(CN3CCN(c4ccccc4O)CC3)c2=S)c1 12552954 MEIHLIBLLSWKNI-UHFFFAOYSA-N 395.532 3.505 0 40 GHAB CCCOc1cc(S(=O)(=O)Nc2ccccc2O)ccc1Br 12560759 CCGIVFOWKYXOJW-UHFFFAOYSA-N 386.267 3.744 0 40 GHAB CSc1ncc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)n1-c1ccccc1 12627564 GQBNKMUUNOMYCO-CQSZACIVSA-N 387.505 3.588 0 40 GHAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(I)cc1 12772276 SKROCGLMXUYEAS-UHFFFAOYSA-N 377.103 3.961 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(F)c2)c(OC)c1 12821514 NXCITHCJGHCNOK-KRWDZBQOSA-N 383.416 3.508 0 40 GHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1cccs1 12979941 BXTSQTYWLZXMSL-INIZCTEOSA-N 396.965 3.912 0 40 GHAB COc1ccc(CN(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 13003303 BEKOSXCZVVSURP-UHFFFAOYSA-N 381.476 3.598 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1ccccc1 13140819 CWPVNYODNUDRQN-KRWDZBQOSA-N 389.293 3.520 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(C(=O)N4CCCC4)cc3)cc2c1 13561296 AFRPHKCNXZGCQH-UHFFFAOYSA-N 391.471 3.775 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2C)c1 13667812 OHRHIOGAZHNSJP-INIZCTEOSA-N 386.517 3.976 0 40 GHAB O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)Nc1ccccc1 14120694 NIRJQHGNMUAINT-UHFFFAOYSA-N 388.452 3.512 0 40 GHAB CCOc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1O 15260414 LNOMOPJZRBKTMD-ZROIWOOFSA-N 380.897 3.835 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(OC)c1 15334118 BZUXUCCQNNRGLL-ZDUSSCGKSA-N 387.910 3.945 0 40 GHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1 15391282 ZKFHAQXAADTNAQ-OAHLLOKOSA-N 398.937 3.974 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 15603946 MYEHKUVPPKTGEF-NRFANRHFSA-N 378.472 3.728 0 40 GHAB COc1cccc(CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1 15721661 VHWVRTGVXYCLCC-UHFFFAOYSA-N 386.249 3.778 0 40 GHAB Cc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2cc(Br)ccc12 15835169 BYXRYIDYDQQSBJ-UHFFFAOYSA-N 398.220 3.732 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 16088020 ZUXQAVWBBHTARC-LLVKDONJSA-N 387.379 3.516 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)OCC(=O)N3c4ccccc4C[C@@H]3C)c2C)no1 16685465 WJRQMIHUZGAKFS-ZDUSSCGKSA-N 393.443 3.525 0 40 GHAB COc1ccc(C)cc1S(=O)(=O)N1CCN=C1Cc1cccc2ccccc12 16780430 YWCFSCRYIPJVJY-UHFFFAOYSA-N 394.496 3.802 0 40 GHAB Cc1ccc2c(c1)C(=O)CC1(CCN(CC(=O)Nc3nc(C)c(C)s3)CC1)O2 19218317 OXBJJTGTSMTEIM-UHFFFAOYSA-N 399.516 3.507 0 40 GHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCC2)cc(N(C)C)n1 19240837 JHMWAZPGLVLWKT-IBGZPJMESA-N 377.492 3.532 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H](c2nnc(-c3ccsc3)o2)C1 19336100 TXIWWRAHMSMGCF-NSHDSACASA-N 395.893 3.630 0 40 GHAB COC(=O)c1ccc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1 19453629 IGAMRUOHRVWYCJ-UHFFFAOYSA-N 394.519 3.545 0 40 GHAB CC[C@H](c1ccc(F)cc1)n1cc(C(=O)Nc2cccc(-n3cccn3)c2)nn1 19660093 INYVZBBXIRMVJY-HXUWFJFHSA-N 390.422 3.855 0 40 GHAB Cc1c(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cnn1C 19687406 MIYIBCJQQWGUQS-FQEVSTJZSA-N 394.498 3.728 0 40 GHAB Cc1noc(C)c1CSCC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 23102887 SGEHWNCYSIPVKE-LBPRGKRZSA-N 387.505 3.751 0 40 GHAB Cc1ccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1 23312330 LBGUETZMEBPWIJ-UHFFFAOYSA-N 391.427 3.794 0 40 GHAB CC(=O)NCCc1ccc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 23537751 HMIJHHLMKGFVJM-UHFFFAOYSA-N 379.287 3.944 0 40 GHAB Cc1ccccc1SCC(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 24703950 UUFNOLQRSAKRTO-HNNXBMFYSA-N 395.488 3.517 0 40 GHAB O=C(c1cccnc1N1CCCC1)N1CCC(c2nc3ccccc3o2)CC1 24840911 NWFCIDAZVXDKIG-UHFFFAOYSA-N 376.460 3.843 0 40 GHAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)N1CCOCC1 25969180 PHJIMZRQPZANDO-UHFFFAOYSA-N 388.682 3.672 0 40 GHAB COc1ncccc1CNC(=O)c1c(-c2c(F)cccc2Cl)noc1C 30305973 BRPCVXJRMCXGKF-UHFFFAOYSA-N 375.787 3.776 0 40 GHAB COc1cc2s/c(=N/C(=S)NC(=O)c3ccccc3C)[nH]c2cc1Cl 32127158 VLDZJQWTXOKGMJ-UHFFFAOYSA-N 391.905 3.815 0 40 GHAB O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)cc3)N(c3ccccc3)[C@H]2C1 32639662 IBZBRRDIXBFMAK-SJORKVTESA-N 392.933 3.615 0 40 GHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 32873848 CIIZKFGMOJKSHP-UHFFFAOYSA-N 377.243 3.825 0 40 GHAB COc1cc(NC(=O)Cc2ccc(F)cc2)ccc1NC(=O)c1cccnc1 33180371 XKHKAAHMNTWKMF-UHFFFAOYSA-N 379.391 3.663 0 40 GHAB O=C(COc1ccccc1-c1noc(-c2ccco2)n1)NCc1ccccc1 33325150 KCIXQKBNIMYQQG-UHFFFAOYSA-N 375.384 3.692 0 40 GHAB COc1ccccc1CCCNC(=O)C1CCN(Cc2ccccc2F)CC1 39763886 TZSSOPHVTLXPKM-UHFFFAOYSA-N 384.495 3.795 0 40 GHAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CC(=O)N(C2CCCC2)C1 40018315 LRNZKDOAOWGDMH-HNNXBMFYSA-N 384.476 3.848 0 40 GHAB CC(C)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 40049985 FDYHDXMRZJDVSH-KDOFPFPSSA-N 394.924 3.520 0 40 GHAB CC(C)S(=O)(=O)c1ccc(C(=O)n2cccc/c2=N\C2CCCCC2)cc1 40132288 HEKKQLLFLIZNJG-LSDHQDQOSA-N 386.517 3.592 0 40 GHAB CCN(CC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@@H](C)c1ccc(F)cc1 40154559 PNRDBECLOLRINS-AWEZNQCLSA-N 390.455 3.873 0 40 GHAB COc1ccc2cc(CNC(=O)C(=O)Nc3ccc(Cl)c(F)c3)ccc2c1 41222463 VOQKBPPYCLJNAQ-UHFFFAOYSA-N 386.810 3.896 0 40 GHAB O=C(Cc1csc(Cc2ccccn2)n1)NCCCCOc1ccc(F)cc1 41690823 JLQBDWAOOQHYGG-UHFFFAOYSA-N 399.491 3.786 0 40 GHAB Cc1cc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)ccc1Br 42646187 LJKZADMFQHGNIY-UHFFFAOYSA-N 395.684 3.708 0 40 GHAB CCOC(=O)c1cnc(C)nc1CSc1nnc(-c2cccs2)n1CC 46088097 GYFLZHMKLPOIDK-UHFFFAOYSA-N 389.506 3.594 0 40 GHAB COc1ccccc1-c1cc(C(=O)Nc2ccc(N3CCOCC3)cc2C)no1 48234585 GCZBVVOQRUAMTL-UHFFFAOYSA-N 393.443 3.748 0 40 GHAB O=C(Cc1csc(-c2ccccn2)n1)Nc1nc(CN2CCCCC2)cs1 48301924 BSPXFJYUKUJRFZ-UHFFFAOYSA-N 399.545 3.829 0 40 GHAB CC(C)OC(=O)Cc1nc(CSc2nccc(C(F)(F)F)n2)cs1 48302585 MDULZOCSNGTWSJ-UHFFFAOYSA-N 377.413 3.738 0 40 GHAB Fc1ccc(OCc2nnc([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)o2)cc1 49170398 WLDLDPVJUQHYGW-HNNXBMFYSA-N 397.406 3.506 0 40 GHAB biogenic,in-vitro O=C1C[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)CN1CC(F)(F)F 64856361 QPVBUNADMMMRCM-GOSISDBHSA-N 390.405 3.626 0 40 GHAB COc1cccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccc(F)c(F)c2)CC(=O)N3)c1 66087490 ZRSUNXHJFMGPBJ-CQSZACIVSA-N 398.365 3.936 0 40 GHAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 67567193 GGNLJFUBRKRBNR-UZLBHIALSA-N 381.476 3.691 0 40 GHAB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)o1 72287357 ZURVTRMLZBTJFF-UHFFFAOYSA-N 376.478 3.794 0 40 GHAB O=C(c1cscn1)N1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 72362638 WDVSVAWSVSNPCO-ZDUSSCGKSA-N 384.436 3.884 0 40 GHAB COCCn1cc(CCC(=O)Nc2ccc(NC(C)=O)cc2)c2ccccc21 79464354 ZFHMSBLRZASHHH-UHFFFAOYSA-N 379.460 3.817 0 40 GHAB Cc1nn(C)cc1[C@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCCC1 79485240 DCJFBYASZCNDHK-MRXNPFEDSA-N 375.498 3.950 0 40 GHAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1cccc(Cl)c1Cl)CS2 90609799 KATNLLALDMXAFG-JTQLQIEISA-N 398.315 3.782 0 40 GHAB C[C@@H](NC(=O)N1CCc2cc(F)ccc2C1)c1nc(-c2cccc(F)c2)no1 93998319 FIZZLEMXUQUCJW-GFCCVEGCSA-N 384.386 3.844 0 40 GHAB Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H]1CCO[C@@H](C)C1 95457819 BHZOQQSHUQHHPO-WFASDCNBSA-N 375.494 3.524 0 40 GHAB Cc1cn(-c2ccccc2)nc1NC(=O)c1ccccc1SCC(=O)N(C)C 95951116 SEDASXVKVJZCHF-UHFFFAOYSA-N 394.500 3.613 0 40 GHAB Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(N2CCCC2=O)cc1C 95955799 MUMGVOXPHZMXGR-UHFFFAOYSA-N 384.501 3.572 0 40 GHAB O=S(=O)(NCc1cc(C2CC2)n(C2CCCC2)n1)c1c(F)cccc1F 96104103 LJGSDRABDKQOBL-UHFFFAOYSA-N 381.448 3.632 0 40 GHAB CN1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)Nc3ccccc3)CC[C@@H]12 96145282 TZHULCYLFPTXMF-NFBKMPQASA-N 392.503 3.644 0 40 GHAB COc1cc(OC)c([C@@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc1OC 96221734 GCWMUONWKOYGGF-AWEZNQCLSA-N 396.395 3.568 0 40 GHAB biogenic O=C(NC12CC3CC(CC(C3)C1)C2)N1[C@H]2CC[C@H]1CC(O)(c1cccnc1)C2 100463857 LPBHSCZFPKGHDD-JFNYDKOCSA-N 381.520 3.574 0 40 GHAB CCn1/c(=N/C(=O)c2c(OC)cccc2OC)sc2cc(F)cc(F)c21 100909472 VMUVYUFUOMHTLJ-UZYVYHOESA-N 378.400 3.759 0 40 GHAB CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C3(c2ccccc2)c2ccccc2)c1 102986141 QFVJDLKKABXQIM-VXKWHMMOSA-N 381.431 3.995 0 40 GHAB CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccc(OC)c(C)c1 222597035 LXZDOIPFCLLAPR-KRWDZBQOSA-N 390.505 3.565 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 223048331 WCJWRXHPPFWDQR-OAQYLSRUSA-N 396.531 3.852 0 40 GHAB CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 223364125 USIUKPPQQKEJKR-HSZRJFAPSA-N 388.467 3.582 0 40 GHAB Cn1cccc1-c1noc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 225765251 RKBSJRIXLNEQND-UHFFFAOYSA-N 384.867 3.857 0 40 GHAB Cc1cccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(C)(=O)=O)c1 244199604 VNWPNBAXJIALPO-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB CO[C@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@]12CCCO2 257300660 RVFCIHDRPAJQOS-JTHBVZDNSA-N 396.487 3.687 0 40 GHAB Cc1cc(-c2cccc(C(=O)O)c2)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1 257340167 ZEVXEJQCFFKOAU-UHFFFAOYSA-N 381.476 3.902 0 40 GHAB CNc1ncc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)c3ccccn23)s1 306124941 CCSRDPCPYSXERG-UHFFFAOYSA-N 399.426 3.708 0 40 GHAB C/C(=C\c1ccccc1)C(=O)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390830324 KEVLMGQPHVGGGO-LGHUBQEGSA-N 375.515 3.540 0 40 GHAB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408684127 MWHKLUVFPWCCEA-KDURUIRLSA-N 394.858 3.849 0 40 GHAB O=S(=O)(c1cn2c(n1)CCCC2)N1CCCC[C@H]1c1cc2ccccc2[nH]1 503449264 SVSODAPBJWCOQN-SFHVURJKSA-N 384.505 3.617 0 40 GHAB COc1ccccc1N1CCN(C(=O)C[C@@H](c2ccsc2)n2cccc2)CC1 524735688 RMVWGKCTFXOQGW-FQEVSTJZSA-N 395.528 3.887 0 40 GHAB CC(C)Sc1ccc(CC(=O)NCc2cccnc2-c2cnn(C)c2)cc1 575618235 KLQPKHGWDDBFOR-UHFFFAOYSA-N 380.517 3.842 0 40 GHAB CC(C)(C(=O)N[C@H]1CC[C@@H](CO)CC1)c1csc(-c2ccccc2F)n1 645804811 MBQQXJILPWGODI-OKILXGFUSA-N 376.497 3.894 0 40 GHAB C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2nccc3ccsc23)C1=O 952994743 JWIGZCOJLKHHLH-GUYCJALGSA-N 397.475 3.917 0 40 GHAB COc1ccc(CN2CC3(CCN(C(=O)[C@H]4CC[C@H](C)CC4)CC3)CC2=O)cc1 1565553843 LJYXBLHIFPTHHH-KESTWPANSA-N 398.547 3.863 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@@H](Cc2cnc(-c3ccc(C(=O)O)cc3)cn2)C1 1848356861 WEONPTYPOMZANR-HNNXBMFYSA-N 381.476 3.669 0 40 GHAB O=C([C@@H]1CCCO1)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1888906727 BCUYGLJWNOLZAY-NRFANRHFSA-N 388.471 3.577 0 40 GHAB CCc1cccc2sc(N3CC[C@@H](COc4ccc5nccn5n4)C3)nc12 2087067490 QIRVBTGJVLEGDR-CQSZACIVSA-N 379.489 3.807 0 40 GHAB O=C(NCc1ccccc1)c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 915700 AMYDYBNJVAGEPH-RBUKOAKNSA-N 394.858 3.639 0 40 GHAB COc1ccc(OC)c(NC2=C(Cl)C(=O)N(c3cc(C)ccc3C)C2=O)c1 939911 RXYPXPXZXFNYKK-UHFFFAOYSA-N 386.835 3.756 0 40 GHAB Cc1ccc2cc(CN(Cc3cccs3)C(=O)C3CC3)c3nnnn3c2c1 1367355 MNGIRWRIWDYMCD-UHFFFAOYSA-N 377.473 3.586 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC(n2cnc3cc(F)ccc32)CC1 1371026 GOWXNNUYSGPHLA-UHFFFAOYSA-N 393.871 3.855 0 40 GHAB COc1ccc(-c2nnc(SCc3ccc(C(=O)OC(C)C)cc3)n2N)cc1 1789738 XMPLCQIMEHPKMF-UHFFFAOYSA-N 398.488 3.525 0 40 GHAB Cc1cc(NC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c23)no1 2636321 BOSLBABOVMMXBL-UHFFFAOYSA-N 384.392 3.811 0 40 GHAB O=C1C(=O)N(Cc2cccc(Br)c2)c2ccc(Br)cc21 2751127 SBIRMMMHZCMADY-UHFFFAOYSA-N 395.050 3.941 0 40 GHAB CC[C@H]1CCc2c(sc3ncn4nc(CCn5nc(C)cc5C)nc4c23)C1 2803790 VUOXNDQRGORTGS-AWEZNQCLSA-N 380.521 3.910 0 40 GHAB COC(=O)CCc1c(C)c(C(=O)c2cccc(OC)c2OC)c2ccccn12 3305854 ZVKUJGVHROCDKC-UHFFFAOYSA-N 381.428 3.602 0 40 GHAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC(=O)NC(C)(C)C)c2n1 3604067 WIFZFUUEPWVNRC-UHFFFAOYSA-N 384.263 3.853 0 40 GHAB COc1ccccc1N(CN1CCCC1=O)C(=O)c1c(F)cccc1Cl 4137974 WAEFUQYCTQEZCW-UHFFFAOYSA-N 376.815 3.714 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)NC[C@H](C)c3ccccc3)c(C)c2c1 4319098 SLDWIPPAEIUFSJ-AWEZNQCLSA-N 381.428 3.827 0 40 GHAB Cc1cc(C)cc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1 4329729 JJYOHDOVLJDADF-UHFFFAOYSA-N 394.454 3.951 0 40 GHAB Cc1ccccc1-c1nnn(CC(=O)N2CC[C@H](C)Sc3ccccc32)n1 4762894 JRLSISJTGWLHPJ-HNNXBMFYSA-N 379.489 3.566 0 40 GHAB CC(C)(C)NC(=O)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 4829454 IZVDFOVDRJQVGZ-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB COc1ccc(-n2c(N)c(C(=O)OC(C)C)c3nc4ccccc4nc32)cc1 4903473 FZFSWNXJXOZHSU-UHFFFAOYSA-N 376.416 3.730 0 40 GHAB Cc1ccc(C(=O)NC2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 4908723 ARYYXOFRUJXHMR-UHFFFAOYSA-N 393.531 3.753 0 40 GHAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 5265654 HEIMXLMUVHDTOC-NRFANRHFSA-N 399.878 3.869 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NCCc1ccc(Cl)cc1 5537218 OKKLLSMUADJOHU-UHFFFAOYSA-N 398.846 3.819 0 40 GHAB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)CN1C1CCCC1 6283224 WEZKQJWBJHEYJK-QPPBQGQZSA-N 399.494 3.795 0 40 GHAB biogenic CC[C@@H](C)[C@H](NC(=O)c1ccc(OCc2ccccc2)c(OC)c1)C(=O)OC 7191810 UHQOJUCHQFFUFB-QRWLVFNGSA-N 385.460 3.592 0 40 GHAB Cc1sc2nc(S[C@@H](C)C(=O)Nc3ccc(F)cc3)n(C)c(=O)c2c1C 7654163 CFWLGEZVQNWTNZ-NSHDSACASA-N 391.493 3.870 0 40 GHAB COc1ccc(C(=O)OCC(=O)c2cc(C)n(CCc3cccs3)c2C)cn1 8515689 KBNBLWXWYQQCRJ-UHFFFAOYSA-N 398.484 3.852 0 40 GHAB COc1ccc([C@@H](CNC(=O)COc2ccc(C)cc2)N2CCCCC2)cc1 8613295 QWRAQIVPFUDDRJ-JOCHJYFZSA-N 382.504 3.726 0 40 GHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)c(C)c3)ccc21 8840579 GGYWIPGAPFEFGK-UHFFFAOYSA-N 376.453 3.624 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(-n3cccn3)cc2)c1 9386027 OPXRMBGMVHIDPS-HXUWFJFHSA-N 377.444 3.867 0 40 GHAB CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCO2)c2c[nH]c3ccccc23)cc1 9469816 MADVDVQICRSPOV-UGKGYDQZSA-N 377.488 3.661 0 40 GHAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(S(C)(=O)=O)cc3)ccc2c1 9575816 UYOCTCMWGNHBOT-CQSZACIVSA-N 383.469 3.994 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)COc2cccc(C)c2C)c(OC)c1 9913377 RVWSXOYMXWJARV-UHFFFAOYSA-N 395.459 3.583 0 40 GHAB CCCCCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10338840 AWTLPMIGQRHWSU-UHFFFAOYSA-N 392.496 3.712 0 40 GHAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(C3=CCN(C(N)=O)CC3)cc2)c1 11093338 ATTOFPFDEOMDCY-MRXNPFEDSA-N 379.460 3.569 0 40 GHAB Cn1c(=O)c2c(-c3ccccc3Cl)c(Nc3ccccc3)oc2n(C)c1=O 11614782 XSCIJEOZNYFFHG-UHFFFAOYSA-N 381.819 3.894 0 40 GHAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4ccccc4C)c3)cn2n1 11693418 OMPDDNHPOKBUMB-UHFFFAOYSA-N 388.427 3.974 0 40 GHAB O=C(NC[C@@H]1CCCOC1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134241 ONJKXPNMYGNQAG-IBGZPJMESA-N 394.515 3.631 0 40 GHAB COc1ccc2cnc(C3CCN(CC(=O)c4cc(C)no4)CC3)cc2c1C 12144161 FITYVQKDESCHCN-UHFFFAOYSA-N 379.460 3.911 0 40 GHAB O=C(c1n[nH]c(=O)c2ccccc12)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12181097 GLULBDLCSSQEBG-ZXFUBFMLSA-N 377.419 3.613 0 40 GHAB Cc1cc(OCC(=O)NCc2nc(-c3ccccc3)no2)c2cccc(C)c2n1 12202614 GSHONUBJIDPOIL-UHFFFAOYSA-N 388.427 3.597 0 40 GHAB Cc1ccc2c(c1)CN(C)C[C@@]1(CCCN(C(=O)Cc3ccccc3F)C1)O2 12365366 VDPABRBFIFTBEP-HSZRJFAPSA-N 382.479 3.562 0 40 GHAB CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)s1 12527035 MLRUBMRHRDNJHH-UHFFFAOYSA-N 393.940 3.699 0 40 GHAB COc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccc(Cl)s2)n1 12554993 FKKHANMIFMXDQA-UHFFFAOYSA-N 390.900 3.553 0 40 GHAB S=c1n(CN2CCOCC2)nc(-c2ccc(Cl)cc2)n1Cc1ccco1 12885624 BMCGPAZTZJWXHF-UHFFFAOYSA-N 390.896 3.665 0 40 GHAB O=C(O)COc1ccc2cc(-c3ccccc3OC(F)(F)F)c(=O)oc2c1 13690888 IYAWNDVVPPNPDL-UHFFFAOYSA-N 380.274 3.822 0 40 GHAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N(C)Cc1cccc(Cl)c1Cl 14054319 RTURKULTPCUTIT-UHFFFAOYSA-N 386.304 3.639 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](Oc2cc(Cl)ccc2Cl)C[C@H]1C(=O)O 14632454 ZZCRZCHEAZGKES-JQWIXIFHSA-N 376.236 3.835 0 40 GHAB in-vitro Cc1ccc(C(=O)CCC(=O)OCCCn2c(=O)[nH]c3ccccc32)cc1C 19171653 LQLJJZDSZRUHLI-UHFFFAOYSA-N 380.444 3.543 0 40 GHAB c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCC3)CC2)cc1 19369598 ZMSPJIQWFOCDOI-QFIPXVFZSA-N 394.567 3.828 0 40 GHAB CN1CCN(Cc2ccccc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19589460 KGKWRIIKCHJCSC-DEOSSOPVSA-N 385.511 3.882 0 40 GHAB CO[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2)C1 19657350 XGTGZRXYKJLWDG-WMZOPIPTSA-N 379.464 3.552 0 40 GHAB CC(=O)N1CCCCC[C@@H]2N(Cc3cnn(-c4ccc(F)cc4)c3)CC[C@@]21C 19713376 WYTBEYWUBIYQHC-VXKWHMMOSA-N 384.499 3.767 0 40 GHAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C3CCCC3)CC2)cc1 19756302 JSXBYIGQLIUZII-UHFFFAOYSA-N 396.535 3.878 0 40 GHAB COc1cc2c(cc1OC)-c1c(c(C(=O)NC(C)C)nn1-c1ccccc1)C2 20719110 MZNWSONYLQJILE-UHFFFAOYSA-N 377.444 3.599 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2c(C)nn(CC(C)C)c2Cl)N(C)C)cc1 20931715 RQUHOIIVVDBJDI-QGZVFWFLSA-N 392.931 3.542 0 40 GHAB Cc1noc(C)c1CN(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccccc1 22135181 ABMFWMOZAJXGIK-FQEVSTJZSA-N 376.412 3.606 0 40 GHAB Cc1cccc(OCc2nnc(SCc3nc4c(C)cccc4c(=O)[nH]3)o2)c1 22240131 FNOITURMZIAXGE-UHFFFAOYSA-N 394.456 3.794 0 40 GHAB CC(=O)N1CCc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21 22274534 BTTJEGCHEOLYNR-UHFFFAOYSA-N 385.272 3.703 0 40 GHAB CN1CCN([C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)c2ccsc2)CC1 22765534 SNNBVFSSPPFTGD-QGZVFWFLSA-N 398.359 3.773 0 40 GHAB O=C(Nc1ccccc1)c1ccc(CN2CCN(C(=O)c3ccccc3)CC2)cc1 23846883 NDSXSTVWTPOGCR-UHFFFAOYSA-N 399.494 3.897 0 40 GHAB O=C(Nc1cccc2ncccc12)c1ccc(S(=O)(=O)C(F)(F)F)cc1 24749702 XJZOABCFGDLRTM-UHFFFAOYSA-N 380.347 3.781 0 40 GHAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 24975160 FILSFKPBMKBLQN-LJQANCHMSA-N 388.489 3.622 0 40 GHAB Cc1cccc(-n2ccnc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)c1C 26047268 BHVJCQUGTPGVAC-UHFFFAOYSA-N 393.468 3.795 0 40 GHAB O=C(CSc1nnc(/C=C/c2ccccc2)c(O)n1)Nc1ccc(F)cc1 27300474 RWVLDSUKUOBXQI-IZZDOVSWSA-N 382.420 3.618 0 40 GHAB CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 27664194 MEKXVAVOBCCMQS-PVAVHDDUSA-N 381.563 3.502 0 40 GHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c(C)c1 30758236 FBXDIFXGYQHMLC-QGZVFWFLSA-N 386.517 3.778 0 40 GHAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl 32610031 PCULGVGHWNMKOC-ZIAGYGMSSA-N 379.819 3.553 0 40 GHAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccc(C(=O)NC4CC4)cc3)on2)cc1 32833500 AEFZSWFLOPQFHG-UHFFFAOYSA-N 389.455 3.814 0 40 GHAB O=S(=O)(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccc2c(c1)OCCO2 32935755 CPQLGLFQVNSOGF-HXUWFJFHSA-N 391.464 3.807 0 40 GHAB O=C(CCc1nc2ccccc2[nH]c1=O)Nc1ccc(-c2nccs2)cc1 32983577 QKJYBYAJRRVMQA-UHFFFAOYSA-N 376.441 3.618 0 40 GHAB COc1ccccc1C1=NO[C@@](C)(C(=O)NCC(C)(C)c2cccc(F)c2)C1 35316842 VXMGYEUDDCVUFA-JOCHJYFZSA-N 384.451 3.811 0 40 GHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)CCOc1ccccc1C 40103801 HHOLMVBIKHLMSS-UHFFFAOYSA-N 396.535 3.598 0 40 GHAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1c2c(nn1-c1ccccc1)CCC2 40132185 IROBFIJYNVEABW-UHFFFAOYSA-N 383.455 3.728 0 40 GHAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN(CC(F)(F)F)CC1 44448623 NQDLUCCLYMQEEL-UHFFFAOYSA-N 376.378 3.631 0 40 GHAB O=C(COc1coc(CN2CCCCC2)cc1=O)Nc1cccc2ccccc12 44901254 MFFWZQVNZDCNFQ-UHFFFAOYSA-N 392.455 3.796 0 40 GHAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(Br)s1 48957154 YZIKUHGZAJULGD-ZDUSSCGKSA-N 393.306 3.604 0 40 GHAB CSc1cccc(-n2ccc(=O)c(-c3nc(-c4cccc(F)c4)no3)n2)c1 49006383 DDYFOAWHIPHQQR-UHFFFAOYSA-N 380.404 3.811 0 40 GHAB Cc1cc(C(=O)N2CCC(Oc3nc4c(F)cc(F)cc4s3)CC2)no1 49435175 GJUCWBOGICCQTF-UHFFFAOYSA-N 379.388 3.555 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1 55581186 WFUYERNGJUYWRS-UHFFFAOYSA-N 378.881 3.685 0 40 GHAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc2noc(-c3ccccc3)c2c1 57816787 YIVGIILLORJDAZ-UHFFFAOYSA-N 379.460 3.872 0 40 GHAB Cc1ccc(C)c(-n2c(SCC(=O)N3CCCC3)nc3ccsc3c2=O)c1 67216873 POAWLGHQNFNURL-UHFFFAOYSA-N 399.541 3.779 0 40 GHAB CC(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 71281028 WDQPKXWSADLADE-WIYYLYMNSA-N 398.547 3.880 0 40 GHAB Cc1noc(CN2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 71889285 LKHWEHNSUSDNEN-HXUWFJFHSA-N 382.508 3.675 0 40 GHAB O[C@]1(c2cccnc2)CCC[C@@H]2CN(Cc3cc4c(cc3Cl)OCO4)C[C@@H]21 72343001 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BKSZODDAVWWIFQ-KRWDZBQOSA-N 376.504 3.561 0 40 GHAB O=C(Cc1ccc(NC(=O)CCc2ccccc2F)cc1)NCC(F)(F)F 96103644 IZQFVVHHYCJPAL-UHFFFAOYSA-N 382.357 3.618 0 40 GHAB COc1ccc(-c2cc(N3CCCN(C(=O)c4cccc(F)c4)CC3)[nH]n2)cc1 98211641 OACDCQHSPGRSOZ-UHFFFAOYSA-N 394.450 3.577 0 40 GHAB COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Cc3ccccc3)n2)cc1OC 98212277 BSEHYQGCDUZFNP-KRWDZBQOSA-N 393.443 3.660 0 40 GHAB CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(F)cc1 113882880 HBTLEGVCAHVQMA-UHFFFAOYSA-N 379.453 3.509 0 40 GHAB COc1ccc([C@@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 170184954 NOVPVHACICKVBS-FQEVSTJZSA-N 377.440 3.834 0 40 GHAB Cc1cc2c(cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl)oc(=O)n2C 223335413 DRIYQANWEYWVMV-UHFFFAOYSA-N 387.244 3.548 0 40 GHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)c(Cl)c1Cl 223718159 GDBCFWNLTHQLGS-UHFFFAOYSA-N 378.252 3.962 0 40 GHAB O=C(NCc1cccc(F)c1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 224073127 FEODLQYQVBIHBO-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB COc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(F)cc1C)CC(C)(C)O2 225598597 CACXOZSSAAYHJS-MRXNPFEDSA-N 379.453 3.723 0 40 GHAB CCn1cc(CN2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)c(C)n1 257224317 FBHRJRUAWSKSRM-QHCPKHFHSA-N 394.494 3.910 0 40 GHAB CCCn1nccc1-c1cc(C)nc(CC2CCN(C(=O)C(C)(C)C)CC2)n1 257271656 MZFPEKMAJMIGOE-UHFFFAOYSA-N 383.540 3.886 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccccc2)[C@@H]1c1ccc(OC)cc1 257276596 NUKLRZXVXFOEIL-IRLDBZIGSA-N 380.488 3.653 0 40 GHAB Cc1ccc(-c2noc([C@@H]3CCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cc1 257331667 XTTKTBKJSPLIHG-QGZVFWFLSA-N 383.473 3.532 0 40 GHAB COc1ccccc1-c1cnc2n1CC[C@]21CCN(C(=O)c2csc(C)n2)C1 306140966 VHTYEAHUVXFEFZ-NRFANRHFSA-N 394.500 3.511 0 40 GHAB CCc1oc2ccccc2c1CC(=O)N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 529202364 HGSUXXNNEDBVSB-CQSZACIVSA-N 389.459 3.904 0 40 GHAB CCn1c(NC(=O)[C@H]2CCc3cc(Br)ccc32)nc2cccnc21 571050227 PFMVTRGLANXRQU-AWEZNQCLSA-N 385.265 3.882 0 40 GHAB COc1cccc(-c2cc(C(=O)NCc3ccc(-c4ccoc4)nc3)n(C)n2)c1 575615669 HAIGDYWOPHFHHV-UHFFFAOYSA-N 388.427 3.681 0 40 GHAB Cc1cnc([C@@H](NC(=O)N2Cc3cnn(-c4ccccc4)c3C2)C2CC2)s1 579806229 OXYYBZLGEUDDHC-SFHVURJKSA-N 379.489 3.814 0 40 GHAB CNC(=O)OC[C@H]1CCCCN1C(=O)c1cc2cc(C(F)(F)F)ccc2n1C 585084029 XGLHGSIXIGWKMG-CQSZACIVSA-N 397.397 3.548 0 40 GHAB O=C(NCc1ccncc1OC[C@@H]1CCOC1)N[C@@H]1CCCC12CCCCC2 585094480 MXYPYQXQSQSGAN-YLJYHZDGSA-N 387.524 3.799 0 40 GHAB Cc1ccc(N2CCC3(CC2)Cc2ccccc2CN(CC(C)C)C3=O)nn1 585105735 HNRUQZYZNXOCLE-UHFFFAOYSA-N 378.520 3.613 0 40 GHAB Cc1nccc(OC2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)n1 585146994 FWQZXOPDGCFQEF-UHFFFAOYSA-N 389.883 3.666 0 40 GHAB Cc1ccc(C)n1CC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 604418489 AMGRWWTWMDEEHN-UHFFFAOYSA-N 380.410 3.634 0 40 GHAB Cc1nc2cc(C(=O)N3CCC[C@@H]([C@H]4CCCN4)C3)ccc2n1-c1ccccc1 645112526 MFEHFOPMJQNJDG-TZIWHRDSSA-N 388.515 3.938 0 40 GHAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1ccc(C(F)(F)F)nc1 1775967747 BSBNIEKBZOITTO-GFCCVEGCSA-N 382.363 3.885 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1775995694 FCZRPSUUCXJZMQ-LBPRGKRZSA-N 385.411 3.797 0 40 GHAB CCOC(=O)c1cnn(-c2cc(Oc3ccc(C)c(C)c3)nc(SC)n2)c1N 632666 COWQNLRBTPRURY-UHFFFAOYSA-N 399.476 3.552 0 40 GHAB CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1F 794781 FHUBOFGDFALCTH-UHFFFAOYSA-N 385.786 3.886 0 40 GHAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 905222 BWHUJGDRSRANIZ-INIZCTEOSA-N 393.516 3.822 0 40 GHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1cccc(C(F)(F)F)c1 1402163 YARWTVQPXWWCLA-HNNXBMFYSA-N 380.391 3.825 0 40 GHAB COc1cccc(/C=C2\N=C(c3ccccc3Br)OC2=O)c1OC 1511076 CPUDWUWDXHSLTP-UVTDQMKNSA-N 388.217 3.811 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(C)c1 2693037 DXQFDPDWMQRGIX-UHFFFAOYSA-N 378.925 3.776 0 40 GHAB Cc1cc(C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)c2ccccc2n1 3331780 DLIJWRIVAVHOEE-MRXNPFEDSA-N 376.456 3.838 0 40 GHAB Cn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1ccccc1 3361325 KLJJZHCXEASRIG-UHFFFAOYSA-N 390.415 3.814 0 40 GHAB COCCn1c(SCc2nc3ccccc3nc2C)nnc1-c1ccncc1 3410539 FNJATHWTWNZJRQ-UHFFFAOYSA-N 392.488 3.530 0 40 GHAB Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)O 3441788 ZBYCTOQAJCFYKH-UHFFFAOYSA-N 381.453 3.761 0 40 GHAB COc1ccc(CN(C)C(=O)CSc2nnc3sc4ccccc4n23)cc1 3457446 RKHJXQNHSQXUDW-UHFFFAOYSA-N 398.513 3.703 0 40 GHAB COC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1 3506466 URUZCEYMQKUDHB-UHFFFAOYSA-N 391.493 3.733 0 40 GHAB Cn1ccnc1SCc1cc(=O)c(OC(=O)c2ccccc2Cl)co1 4251344 DYGRYIKUPHNWIK-UHFFFAOYSA-N 376.821 3.538 0 40 GHAB COc1cc2c(cc1OC)-c1cc(N3CCCc4ccccc43)nc(=O)n1CC2 4302138 UYPMUBFBYLWPON-UHFFFAOYSA-N 389.455 3.568 0 40 GHAB biogenic CCCOc1cccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)c1 4815471 SUMRUMIVDLCPGX-UHFFFAOYSA-N 379.445 3.894 0 40 GHAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 4816812 APFIVHUPWKGGEC-VQTJNVASSA-N 392.459 3.773 0 40 GHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)O)cc1OC 4976672 AAQQOHHSCHBSLY-SFHVURJKSA-N 396.443 3.636 0 40 GHAB O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2c(c1)CCC2 4988156 VBUVZROKYCVLPW-NRFANRHFSA-N 380.440 3.773 0 40 GHAB COc1ccc(-c2nnc(NC(=O)COc3ccccc3C)s2)cc1OC 5478091 SMIGWQNXQIIZIZ-UHFFFAOYSA-N 385.445 3.548 0 40 GHAB O=C(Nc1cccc(Cl)c1Cl)c1nn(-c2ccc(F)cc2)ccc1=O 5486161 AIPNFEZJNHFUBE-UHFFFAOYSA-N 378.190 3.931 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCCCC4)cc3)CC2=O)cc1 5614045 BGXXKKMUXKTMSX-GOSISDBHSA-N 377.488 3.977 0 40 GHAB CN(Cc1cccs1)C(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 5937497 DUTGZINKYIHANA-UHFFFAOYSA-N 381.453 3.936 0 40 GHAB C[C@H]1CCC[C@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H]1C 6435568 ZJJRCYIMEZXIEK-ZENOOKHLSA-N 381.314 3.510 0 40 GHAB Cc1nnc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)n1Cc1ccccc1 6509293 ZSDOZTMZWHRTGD-INIZCTEOSA-N 392.528 3.700 0 40 GHAB Cc1nc2ccc(NC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)cc2s1 6543509 ZJPJTWWSCHAYSC-MRXNPFEDSA-N 379.485 3.634 0 40 GHAB CCCCN1C(=O)/C(=C\c2ccccc2Br)C(C(=O)OC)=C1C 6647201 KSMDFAXXLMDFFH-KAMYIIQDSA-N 378.266 3.922 0 40 GHAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)cs1 6681741 FPULMPTZXKXQLE-UHFFFAOYSA-N 386.498 3.787 0 40 GHAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cc(C(=O)O)ccc1Cl 6883134 XMWLRQAVOZGUSU-UHFFFAOYSA-N 383.256 3.747 0 40 GHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 7036834 FAJSMJDMBWDCRT-UHFFFAOYSA-N 379.441 3.956 0 40 GHAB CCCOc1ccc(C(=O)O[C@H](C)C(=O)NCC2CCCCC2)cc1OC 7262645 PPLYPAIKJSLWEC-OAHLLOKOSA-N 377.481 3.726 0 40 GHAB CCCN(CC(=O)N1CCc2ccccc21)Cc1nnc(-c2cccs2)o1 7589730 BMRPMXZIVOTUDY-UHFFFAOYSA-N 382.489 3.599 0 40 GHAB Cc1nnc(SCC(=O)Nc2ccc3c(c2)CCC3)n1Cc1ccccc1 8229737 QPGWMOCKFGQEJT-UHFFFAOYSA-N 378.501 3.854 0 40 GHAB Cc1csc2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc(=O)n12 8271361 XFQRZVQTYBNJCW-QGZVFWFLSA-N 397.500 3.563 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 8393892 BVTMDOGIEHNDPF-YLJYHZDGSA-N 386.904 3.547 0 40 GHAB CCn1c(S[C@@H](C(N)=O)c2ccc(F)cc2)nc2sc(C)c(C)c2c1=O 8754609 CUWZEUXCZZHIBU-CQSZACIVSA-N 391.493 3.553 0 40 GHAB COc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccc(OC)cc13)n2C 8765517 AFDKDYVBGGRQKA-UHFFFAOYSA-N 377.444 3.649 0 40 GHAB biogenic COCCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccccc1C 9322864 GLUJZOOFFKPNBB-FQEVSTJZSA-N 396.512 3.894 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 9752748 NIUNQBNBHTWPEX-UHFFFAOYSA-N 394.475 3.846 0 40 GHAB Cc1ccc(N(CCCC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1C 10329802 XPRBJKHKDGLENR-GOSISDBHSA-N 388.533 3.727 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@H]2c2ccccc2F)c(C)c1 11694862 QXTCRIZODONMLD-KYNGSXCRSA-N 379.439 3.692 0 40 GHAB COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1ccc2ncccc2c1 11998270 SVJHWCNLIKFIHG-PXNSSMCTSA-N 393.874 3.887 0 40 GHAB Cc1ccccc1[C@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(F)(F)F 12854536 AKALVWZVKAXKOP-INIZCTEOSA-N 376.334 3.702 0 40 GHAB COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@]3(C2)C(=O)Nc2ccccc23)cc1 13629731 GAAPPZHQEBLIRT-XMMPIXPASA-N 397.434 3.793 0 40 GHAB CCOC(=O)c1sc(NC(=S)Nc2ccccn2)c(C(=O)OCC)c1C 13837063 YZNJFGWBSZOCQL-UHFFFAOYSA-N 393.490 3.614 0 40 GHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccccc2Cl)CC1=O 14373233 BSQNYKZHIYVUBC-NSHDSACASA-N 379.243 3.994 0 40 GHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 14397087 MKENILPWBWFHPF-JOCHJYFZSA-N 382.504 3.818 0 40 GHAB CC[C@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)O 15953545 UKPUTZQLKIBXPJ-YPMLDQLKSA-N 399.443 3.622 0 40 GHAB biogenic CCOc1ccc(-c2noc(Cn3nc(-c4ccc(C)cc4)ccc3=O)n2)cc1 16845885 ACIOPIIHSSRAOC-UHFFFAOYSA-N 388.427 3.716 0 40 GHAB COC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccc(Cl)cc1 17143842 LNOCZUSAADCYMU-AWEZNQCLSA-N 399.855 3.783 0 40 GHAB CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN(C)Cc2ccccc2)C1 19016945 YOCUUXZJXPRZLY-LJQANCHMSA-N 376.504 3.921 0 40 GHAB Cc1ccsc1CN1CCN(c2ccccc2[C@H](O)c2nccs2)CC1 19238651 KYKGJIFPOGZSGY-IBGZPJMESA-N 385.558 3.917 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)C[C@@H](C)n2nnc3ccccc32)c(OC)c1 19455253 YZLMXRVXEZSDFX-BEFAXECRSA-N 394.475 3.763 0 40 GHAB CCOc1cc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ccc(C)cn3)C2)ccc1OC 19531889 BXNKOQMULQOORE-YYDVJCTNSA-N 382.504 3.527 0 40 GHAB CN1CCN(Cc2ccncc2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19589535 LJTHSKFLSTVMCB-XMMPIXPASA-N 385.511 3.882 0 40 GHAB c1ccc(CN2CCc3c(sc4ncn5nc(-c6cccnc6)nc5c34)C2)cc1 20101378 CSIDLLOYCGFDAY-UHFFFAOYSA-N 398.495 3.959 0 40 GHAB Cc1ccc2nc(-c3ccc(NC(=O)c4nn(C)cc4C(=O)O)cc3)sc2c1 20614433 WUFDBVIETLKYSX-UHFFFAOYSA-N 392.440 3.956 0 40 GHAB COCc1nc2nc(SCc3ccccc3)nn2c(N)c1-c1ccc(F)cc1 20676167 GAYNSUXJCNZRQB-UHFFFAOYSA-N 395.463 3.951 0 40 GHAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2nccs2)CC1 21335562 OKJQBGHSLKEVHA-GFCCVEGCSA-N 375.885 3.730 0 40 GHAB COc1ccccc1C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22605077 YKLUIUDKGGSGDS-UHFFFAOYSA-N 393.512 3.777 0 40 GHAB NC(=O)NCc1ccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 24377343 VJNGYWLKKQDQQC-UHFFFAOYSA-N 383.835 3.698 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(-c2nc3ccccc3[nH]2)c1 24759869 RCHWTIUDAULQAX-UHFFFAOYSA-N 395.422 3.579 0 40 GHAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(COCC(F)(F)F)cc1 25184562 HWBUYWBEDMUNNZ-UHFFFAOYSA-N 393.361 3.755 0 40 GHAB O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(I)cc1 25661442 MLDCTOOTIMYOJU-UHFFFAOYSA-N 393.228 3.539 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c1 28042431 VOCYNJUMXAETNP-UHFFFAOYSA-N 387.379 3.609 0 40 GHAB COc1ccc(CN2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 28403921 POHCNYXHBOREQA-ZDUSSCGKSA-N 393.270 3.989 0 40 GHAB O=C(/C=C/c1cccnc1)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 30438461 ALBJQSGTSBNITO-RMKNXTFCSA-N 387.395 3.715 0 40 GHAB O=C(NCCSCc1ccc(Br)s1)[C@@H]1Cc2ccccc2O1 30513423 PKTTXUJGSBCIKL-AWEZNQCLSA-N 398.347 3.864 0 40 GHAB CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2cccc(F)c2)c2cc(C)ccc21 32092810 ABCHXCOZFQCHCJ-JOCHJYFZSA-N 390.418 3.964 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 32779643 XCNBBYBJQQNIQP-DLBZAZTESA-N 388.533 3.814 0 40 GHAB CC(=O)Nc1ccc(CC(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 32930090 WQJFPESWWLARQW-GOSISDBHSA-N 393.531 3.736 0 40 GHAB CCC[C@H](c1nnnn1C(C)C)N1CCN(c2cc(Cl)ccc2C)CC1 35291447 CFVUBJYMUHUNSE-QGZVFWFLSA-N 376.936 3.879 0 40 GHAB CC(C)c1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c2cnn(C(C)C)c2n1 36744280 SQDXKQQALXDXRV-UHFFFAOYSA-N 381.362 3.525 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(-c2cn3ccsc3n2)c1 38486248 KJWSVCNZAPMXGD-UHFFFAOYSA-N 390.424 3.609 0 40 GHAB CCn1nnc2cc(C(=O)NCc3cccnc3Oc3cccc(F)c3)ccc21 40094166 DWWCRXYUQOCKNQ-UHFFFAOYSA-N 391.406 3.708 0 40 GHAB COc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(c3ccccn3)C2)cc1OC 40151842 IOGNIZKOKBEVBK-SJORKVTESA-N 383.492 3.501 0 40 GHAB Cc1nc(NC(=O)c2ccccc2-n2cnc3ccccc3c2=O)sc1C 40284916 YWKMKDIFHOVMMH-UHFFFAOYSA-N 376.441 3.711 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3(c4ccccc4)CCC3)C2)nc1 46819350 RFUJCKNPTUPBCF-GOSISDBHSA-N 377.488 3.689 0 40 GHAB CC[C@@H](CNC(=O)CNC(=O)c1ccc(Br)s1)c1ccccc1 48242286 SNHVOWSPOVEDAR-LBPRGKRZSA-N 395.322 3.550 0 40 GHAB O=C(COc1ccc(Cl)c2cccnc12)NC[C@H]1COc2ccccc2C1 48270690 NDURGXKOJYCHMD-AWEZNQCLSA-N 382.847 3.635 0 40 GHAB CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccsc2c1=O 57426229 NXGFKLMXNRRYNB-UHFFFAOYSA-N 391.493 3.984 0 40 GHAB CCS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 58159193 CJXUWMKJHOPOBG-UHFFFAOYSA-N 387.288 3.936 0 40 GHAB CCn1c(SCCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccccc1 58168752 YOYKNDBKPSBIJQ-UHFFFAOYSA-N 377.473 3.536 0 40 GHAB COc1cccc(-c2ccc(=O)n(Cc3cccc(OC(F)(F)F)c3)n2)c1 61718119 UKQHPWDYKQHAEA-UHFFFAOYSA-N 376.334 3.866 0 40 GHAB CSc1ccccc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1 62022958 OQPQJSZUXIEGAG-CYBMUJFWSA-N 394.456 3.564 0 40 GHAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(C(N)=O)cc1 65548163 GSVAKHBSNURRCC-LLVKDONJSA-N 385.420 3.699 0 40 GHAB O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)C[C@H](O)c1ccccc1 66488259 FDAFTLFAMIIWQT-KRWDZBQOSA-N 377.462 3.598 0 40 GHAB Cc1nc(CC(=O)N2CCC[C@H](c3nccnc3Oc3ccccc3)C2)cs1 72362832 GHDGADORKJNFGP-INIZCTEOSA-N 394.500 3.983 0 40 GHAB Cc1nc2cccnc2n1[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 72366032 NPEJVSKYLKLCQT-OAHLLOKOSA-N 379.851 3.962 0 40 GHAB CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)C2CC2)C1 72394130 HTYPXZWAHZTITG-QHCPKHFHSA-N 396.487 3.774 0 40 GHAB Cn1nc(C(C)(C)C)c(Br)c1-c1nn2c(C3CCC3)nnc2s1 72406357 YDBOCHCVOLBSAR-UHFFFAOYSA-N 395.330 3.914 0 40 GHAB C[C@H]1[C@@H](N2CCOCC2)Oc2cc3c(cc2[C@H]1c1ccc(Cl)cc1)OCO3 73292138 MTZMFRTXAVZTJP-PZVFOTJXSA-N 387.863 3.887 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cccc(-c2cn[nH]c2)c1)C(C)C 89689113 MWSKAXVYZJKKCL-HXUWFJFHSA-N 376.460 3.778 0 40 GHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCCn1ccnc1-c1ccccc1 90583489 RDZBISIATMSQAD-UHFFFAOYSA-N 396.878 3.657 0 40 GHAB O=C(c1cc(Cl)ccc1F)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 95369553 SDGDIZYRYJXOJU-SJORKVTESA-N 386.854 3.567 0 40 GHAB O=C1CC[C@@]2(C(=O)NCC3CCSCC3)Sc3ccc(Cl)cc3N12 95396667 JGNIRPKPPFVVOE-KRWDZBQOSA-N 382.938 3.528 0 40 GHAB COc1cc([C@H]2CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c32)ccc1O 96118206 LKTBHIMMGYFBOQ-OAHLLOKOSA-N 386.411 3.609 0 40 GHAB COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@@H]1C(Br)=CC=C3C 96316403 FCXBYZRFHRNZPT-DKSSEZFCSA-N 376.294 3.754 0 40 GHAB biogenic,in-vitro Cc1ccc([C@H](CNC(=O)Nc2ccccc2C(F)(F)F)OCCO)cc1 96338431 YGUCZXXROJRTHR-KRWDZBQOSA-N 382.382 3.886 0 40 GHAB Cc1cc(C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3ccncc3)CC2)on1 100738850 KJTRPZHHEWEEDB-MAEOIBBWSA-N 391.475 3.847 0 40 GHAB Cc1ccccc1CCC(=O)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101323071 LHRMMPYIYHJOJO-PMACEKPBSA-N 397.540 3.924 0 40 GHAB COc1ccc(OC)c(CN2[C@H]3CC[C@H]2CC(NC(=O)c2ccc(C)o2)C3)c1 102864588 SEKITLRTXVTBOX-ROUUACIJSA-N 384.476 3.531 0 40 GHAB CCN(c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1)S(=O)(=O)CC 113972674 NALWOOQJORQWKN-FQEVSTJZSA-N 386.517 3.670 0 40 GHAB CC(=O)N(Cc1c[nH]c2ccccc12)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 199424553 VVLGREVKXJSUPF-NRFANRHFSA-N 375.428 3.694 0 40 GHAB COC(=O)c1ccc(-c2ccc(/C=C(\Sc3nnc(C)o3)C(=O)O)o2)cc1 211527037 VDCUMJBNSNMIFM-DHDCSXOGSA-N 386.385 3.642 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Cl)cc1 222489751 WQEOHCRFQVTYGF-CYBMUJFWSA-N 395.286 3.536 0 40 GHAB CC[C@@H](C)NC(=O)CSc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 223396938 PMNMXVNADCHRMP-OAHLLOKOSA-N 392.546 3.519 0 40 GHAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)COc1ccc2c(c1)CCCC2 223600225 IHSNTPWRUHFZKA-GOSISDBHSA-N 378.516 3.902 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 223755157 UUWQDOHZMSSIIA-QGZVFWFLSA-N 382.479 3.844 0 40 GHAB O=C(COc1cccc2c1CCCC2)NCc1ccccc1CN1CCCC1 224801495 QSGFTUXGUMXGJI-UHFFFAOYSA-N 378.516 3.856 0 40 GHAB CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 224841778 ZTSDMTUSIRTCAF-UHFFFAOYSA-N 388.272 3.980 0 40 GHAB CCCCc1ccc(C[C@H](C(=O)O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1 225166868 DAWCQRLCOMEMLW-HXUWFJFHSA-N 389.517 3.654 0 40 GHAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(OC)cc1C 225394578 VWGAMTNGGCVSHG-UHFFFAOYSA-N 390.505 3.643 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1C 225468231 WWIXRWRJZQFGPP-LJQANCHMSA-N 382.504 3.624 0 40 GHAB Cc1cccc(CN(C(=O)COc2cccc(C)c2C)[C@H](C)C(=O)NC(C)C)c1 225514705 GAVYHHKZKDDAQS-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 225536489 AGNQUEXPORRASF-OAHLLOKOSA-N 391.562 3.747 0 40 GHAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1cc(-c2ccc(F)cc2)n[nH]1 225621477 KDNBYVWKRKTXLF-HXUWFJFHSA-N 380.423 3.509 0 40 GHAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccnc(OCC2CCOCC2)c1 253473297 UARLOCCTNFBIPH-UHFFFAOYSA-N 396.472 3.658 0 40 GHAB CN1CCN(Cc2ccccc2F)C[C@@H]1c1cn2c(N3CCCC3)cccc2n1 306142601 XEFLHLNWPOHOOC-OAQYLSRUSA-N 393.510 3.562 0 40 GHAB Cc1cc(S(=O)(=O)NCCc2ccccc2)ccc1NC(=O)c1ccccc1 408606545 MHYZBVCPHYGZSR-UHFFFAOYSA-N 394.496 3.768 0 40 GHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(F)c1 408703063 DLXZYHFVWQMLJZ-UHFFFAOYSA-N 384.432 3.907 0 40 GHAB Cc1ccc(OCc2nn(CC(=O)N[C@H]3CCCC[C@@H]3C)c(=S)o2)cc1 409157482 MUJRLRCCPVUUFF-HOCLYGCPSA-N 375.494 3.788 0 40 GHAB Cn1cc(-c2nc(C(=O)N3CC[C@](F)(c4cccc(Cl)c4)C3)cs2)cn1 512365644 BQKJEHUQJPYPLT-GOSISDBHSA-N 390.871 3.908 0 40 GHAB CCN1C/C(=C/c2cn(C)nc2C(F)F)c2nc3ccccc3c(C(=O)O)c2C1 514700744 QNVXIFKWBUUDJY-JYRVWZFOSA-N 398.413 3.980 0 40 GHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)c2)cc1 523133692 SRAJLBOIWPEKIW-XGHQBKJUSA-N 398.528 3.739 0 40 GHAB O=C(NCc1cc(-c2ccccc2)no1)NC[C@H]1CCCN1Cc1ccccc1 523705650 VJNNVZYRQRHFAY-HXUWFJFHSA-N 390.487 3.805 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)NCC[C@@H](CCO)c3ccsc3)c2O1 575608450 UJFDRFNVYXWLJV-HNNXBMFYSA-N 389.517 3.513 0 40 GHAB CCn1c(CN2CCC[C@H]2Cc2cccc(OC)c2)nc2cc(C(=O)O)ccc21 580778891 SBWPAQSAOIWTHB-SFHVURJKSA-N 393.487 3.970 0 40 GHAB Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CC3CCCCC3)C[C@H]12 585109745 NXIAXLROTXEFLD-JAXLGGSGSA-N 378.520 3.501 0 40 GHAB Cc1ccc2nc(NC(=O)C3CCN(c4cc5c(nn4)CCC5)CC3)sc2c1 585150349 LNNCOVGIEATQPX-UHFFFAOYSA-N 393.516 3.739 0 40 GHAB O=C(NCc1cc(-c2ccccc2)on1)NC[C@H]1CCCN1Cc1ccccc1 604110763 XPCWRPGBVWVHEG-OAQYLSRUSA-N 390.487 3.805 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)N1CC=C(c2c[nH]c3ccccc23)CC1 604418998 DNWIQXDQOAYEGK-QGZVFWFLSA-N 389.455 3.807 0 40 GHAB C[C@@H](NC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccnc(O)c1 655982832 JRNWMSWMGSQBAU-GOSISDBHSA-N 394.519 3.546 0 40 GHAB CC(C)[C@@H](Oc1ccc(Br)cc1)c1noc([C@H]2CCN(C)C2=O)n1 671670766 RRKDTTPJHSUUON-ZIAGYGMSSA-N 394.269 3.554 0 40 GHAB CCOC(=O)c1csc(N2CCN([C@H]3CCc4c(Cl)cccc43)CC2)n1 1648638979 YGXBZGXWJYROCX-KRWDZBQOSA-N 391.924 3.783 0 40 GHAB CN(C)Cc1noc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc12 1775971338 ZAKRUFVMCSLJBV-UHFFFAOYSA-N 399.394 3.709 0 40 GHAB OCCN1CCC(c2cc(Nc3ncc(CC(F)(F)F)s3)ccn2)CC1 2037846412 QSWSUBJMPSXBGT-UHFFFAOYSA-N 386.443 3.558 0 40 GHAB Cc1ccc(C(=O)N2CCC(F)(F)[C@@]3(CCN(c4cccc(F)c4)C3)C2)cn1 2055803805 XHBVYOCCVYZTMS-HXUWFJFHSA-N 389.421 3.907 0 40 GHAB CCc1cc2c(=O)c(-c3nncn3-c3ccccc3)coc2cc1OC(C)=O 630453 NDSIZYQJDILQJV-UHFFFAOYSA-N 375.384 3.528 0 40 GHAB Cc1[nH]c2ccc(-c3nnc(SCC(N)=O)n3-c3ccccc3)cc2c1C 816361 XHAMUCRRFUNGOG-UHFFFAOYSA-N 377.473 3.610 0 40 GHAB COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1 867156 NLMBUVDKJOOKRK-QGZVFWFLSA-N 387.892 3.780 0 40 GHAB Cc1ccc(OCc2nnc(S[C@@H]3CCc4ccccc4C3=O)n2C)cc1 933555 MGISCYPVPASPCC-GOSISDBHSA-N 379.485 3.992 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(C[C@H]1CCCO1)C3=O 2393097 MFPOOANXSNVSMM-OXQOHEQNSA-N 393.414 3.965 0 40 GHAB Cc1cccc(-n2ncc3c2ncn2nc(COc4c(C)cccc4C)nc32)c1 2396738 SZEAFQYANCPXMD-UHFFFAOYSA-N 384.443 3.967 0 40 GHAB CCn1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(=O)c2ccc(C)nc21 2625145 FYUAFNMEJHWXEO-UHFFFAOYSA-N 390.487 3.967 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nncc(-c2ccccc2)n1 2699501 TWPJECQEOQMNQJ-INIZCTEOSA-N 378.501 3.768 0 40 GHAB CCOC(=O)[C@](O)(c1ccc(NC(=O)Nc2ccccc2)c(C)c1)C(F)(F)F 3103291 SZDCICZWXZRYDV-GOSISDBHSA-N 396.365 3.952 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1C(F)(F)F 3283174 GKCRPGNBSIKXTA-UHFFFAOYSA-N 398.406 3.742 0 40 GHAB O=C(Nc1ccc(OC(F)F)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 3344308 MFVGMFHNNQUQFH-UHFFFAOYSA-N 377.315 3.537 0 40 GHAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccc(F)cc2)C1=O 3443901 QIPSYFOQHNTCBU-KRWDZBQOSA-N 377.213 3.555 0 40 GHAB COc1cc2c(cc1NC(=O)COC(=O)c1c(C)noc1C)oc1ccccc12 3564151 BHQWROXBTLOVAA-UHFFFAOYSA-N 394.383 3.995 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)COc2ccc(Br)cc2)c1 3609618 MABSRKOGKGTXIM-UHFFFAOYSA-N 378.222 3.562 0 40 GHAB COc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCCCC2)c(OC)c1 3895758 ZARPEQYTDNJSHL-SFHVURJKSA-N 376.497 3.754 0 40 GHAB CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)NC(C)C)C2)cc1 4237205 IKBANNDYNJHLHG-DOTOQJQBSA-N 397.544 3.774 0 40 GHAB biogenic,in-vitro COc1cc2oc(=O)c(CC(=O)NCCc3ccccc3)c(C)c2cc1Cl 4742934 MKPBDJAJIFCARJ-UHFFFAOYSA-N 385.847 3.665 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1NC(C)=O 4813769 RDNPIDWZEGHMFU-UHFFFAOYSA-N 382.869 3.806 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccoc1C 4860849 BNHZMALYEOXLPO-UHFFFAOYSA-N 384.461 3.800 0 40 GHAB COc1ccc(C(=O)NC2CCN(C(=O)Nc3c(C)cccc3C)CC2)cc1 4888448 JEUHBVIHZGMCNR-UHFFFAOYSA-N 381.476 3.738 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 5126865 ZEYCGWRPHZAINN-KYGZHNPESA-N 384.476 3.732 0 40 GHAB CCN(CC)CCCn1cnc2c(c1=N)[C@@H](c1ccco1)c1ccc(O)cc1O2 5345785 YOZCZXGCTVVERP-LJQANCHMSA-N 394.475 3.679 0 40 GHAB Cc1cccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)c1C 5558495 VVMVIPZGAXQYTR-UHFFFAOYSA-N 375.266 3.825 0 40 GHAB C[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)c1ccco1)c1ccccc1 5856928 UVQNBYAXERPALF-HNNXBMFYSA-N 392.411 3.566 0 40 GHAB O=C(NC1CCCCCC1)C(F)(F)C(F)(F)C(=O)NC1CCCCCC1 5897333 YAMKWCXUZXWUBU-UHFFFAOYSA-N 380.426 3.935 0 40 GHAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)C(Cl)(Cl)Cl)c1 6386474 LBRCYDQWCRSXBV-UHFFFAOYSA-N 396.727 3.999 0 40 GHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2C1=O 6649493 VEWGNCNVZKGCMM-UHFFFAOYSA-N 396.406 3.924 0 40 GHAB c1ccc(-n2nnnc2SCc2nnc(-c3cc4c(s3)CCCC4)o2)cc1 6880524 RVMFKSONOMKMSZ-UHFFFAOYSA-N 396.501 3.945 0 40 GHAB Cc1ccc([C@H](NC(=O)c2nn(C)c(=O)c3ccccc23)c2cccs2)cc1 6937277 BISNCDNXDJDZNR-IBGZPJMESA-N 389.480 3.823 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1nnc2ccccn12 7297317 GOUONNQYIVOLKD-NSHDSACASA-N 376.869 3.819 0 40 GHAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)[C@H]1CC(=O)N(C2CCCC2)C1 7737631 OYHAYENNJLXQBP-DXRVJIQQSA-N 375.472 3.982 0 40 GHAB CCc1cccc(CC)c1N1C[C@H](C(=O)O[C@@H](C)C(=O)c2ccccc2)CC1=O 7881499 AOJAQIRWBILRNC-OXJNMPFZSA-N 393.483 3.979 0 40 GHAB COc1ccccc1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 8479164 YJMQDZAHTGCWMM-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(Cl)cc1 8754642 ROABHMPRRXUDJU-UHFFFAOYSA-N 398.937 3.506 0 40 GHAB Cc1ccccc1N1C[C@H](c2nnc(NC(=O)Cc3cccs3)s2)CC1=O 9199810 JINSAFHGAZJHNA-CYBMUJFWSA-N 398.513 3.610 0 40 GHAB CCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 11212071 CATHTVVLLSCJOE-GOSISDBHSA-N 392.521 3.620 0 40 GHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1cccc(Cl)c1C 11557815 BFPUTERLTVDSCK-UHFFFAOYSA-N 397.788 3.903 0 40 GHAB Cc1nn([C@@H](C)CC(=O)NC2CCN(Cc3cccc(F)c3)CC2)c(C)c1C 12201671 NLNUFJSEOUVNCF-HNNXBMFYSA-N 386.515 3.679 0 40 GHAB COC(=O)Cn1cc(CN2CCC(O)(c3cccc(C)c3)CC2)c2ccccc21 12328207 AKEAVGOWWZGZCD-UHFFFAOYSA-N 392.499 3.606 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OC 12749527 UEFLBGBLZDCHGI-IYPOZPNPSA-N 394.471 3.594 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 13001475 DEJJCICSYLKTRH-JXMROGBWSA-N 378.432 3.841 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](C)c1ccc(F)c(F)c1 13001745 CBPVFGQUJKYAIJ-GFCCVEGCSA-N 383.398 3.827 0 40 GHAB O=[N+]([O-])c1ccc(N2N=N[C@@H]3CC[C@@H](C4=CCCC4)[C@@]32N2CCOCC2)cc1 13302918 SDPUHQNZIASGFD-ZCNNSNEGSA-N 383.452 3.699 0 40 GHAB COc1ccc(-c2nnn([C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)n2)cc1OC 14230620 YHJYIUFJMUHAPE-ZDUSSCGKSA-N 391.431 3.591 0 40 GHAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCC(C)C)c1 14252264 HUXWOQOCBHTSAC-UHFFFAOYSA-N 379.460 3.942 0 40 GHAB COc1cc(NC(=O)CCCn2c(=O)oc3ccccc32)c(OC)cc1Cl 15474672 LJMPSTHEBLJZRK-UHFFFAOYSA-N 390.823 3.684 0 40 GHAB C[C@@H]1CCc2c(C(=O)O[C@@H](C(=O)N3CCOCC3)c3ccccc3)csc2C1 15514010 JDMWMGJEPZEERD-FOIQADDNSA-N 399.512 3.630 0 40 GHAB C[C@H](NCC(=O)NCCOc1ccccc1)c1cc(F)c(Cl)cc1Cl 16695804 JLFCGNPLKACGSH-LBPRGKRZSA-N 385.266 3.978 0 40 GHAB Cc1nc2ccccc2n1C[C@H](C)C(=O)NCCc1nc2cc(Cl)ccc2[nH]1 19286741 BAOWGTXMGWUFHQ-ZDUSSCGKSA-N 395.894 3.869 0 40 GHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ncc(-c3ccc(F)cc3)n2C)CC1=O 19661587 HHFYZWRQCPSPNV-INIZCTEOSA-N 392.434 3.526 0 40 GHAB O=C(c1cccnc1)N1CC[C@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 19696373 IUCCATSRFGYEIK-HNNXBMFYSA-N 382.851 3.667 0 40 GHAB CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)c1ccc(OC)cc1 20107753 AXCQPOJALPDJES-MRXNPFEDSA-N 396.896 3.601 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1Br 20142356 BSPBXVKPBVRWEV-UHFFFAOYSA-N 380.194 3.504 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCOCC1 20381464 GKWHGPIWMRTZHC-UHFFFAOYSA-N 388.876 3.558 0 40 GHAB O=C(NCCSCc1ccsc1)c1ccccc1OC[C@@H]1CCCO1 21864438 MCDCYKWCPKGWQW-INIZCTEOSA-N 377.531 3.969 0 40 GHAB O=C(NCCCc1ccccc1)c1occc1CS(=O)(=O)c1ccccc1 22020137 BTXQXAPCHZDNLU-UHFFFAOYSA-N 383.469 3.616 0 40 GHAB COc1ccc(CN2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1OC 22813530 MAYCQOXJQXQREB-UHFFFAOYSA-N 398.532 3.648 0 40 GHAB Fc1ccc(N2CCN(c3nnc(SCc4cccnc4)s3)CC2)cc1 23139861 ISVSGFUHVMLRSB-UHFFFAOYSA-N 387.509 3.691 0 40 GHAB O=C(CN1CSCC1=O)Oc1ccc(-c2ccc(Br)cc2)cc1 24038766 BOJDSYSTFCFEKC-UHFFFAOYSA-N 392.274 3.554 0 40 GHAB Fc1ccccc1CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 24148345 IUNMHPNPTRRWIE-UHFFFAOYSA-N 398.507 3.763 0 40 GHAB COP(=O)(OC)[C@H](NC(=O)c1ccccc1)c1nnc(-c2ccccc2)o1 26842568 GOPHIYRHVIUBSA-SFHVURJKSA-N 387.332 3.651 0 40 GHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 27314304 MVZGLDDPMSRFFF-CQSZACIVSA-N 382.391 3.755 0 40 GHAB CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 27663973 JFSUGJQUEDGOTI-CEXWTWQISA-N 393.524 3.580 0 40 GHAB O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)Nc1ccccn1 27936987 LTCRWZZLDHTUJS-UHFFFAOYSA-N 389.175 3.576 0 40 GHAB CCn1c2ccccc2c2cc([C@H]3NC(=O)c4ccccc4N3CC(N)=O)ccc21 28512049 BBXAGVKERSGLAH-QHCPKHFHSA-N 398.466 3.548 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)N2CCC(OCc3ccccc3)CC2)cc1OC 32851175 NTCFXLSWAJPUSC-QGZVFWFLSA-N 398.503 3.712 0 40 GHAB CCn1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c2ccccc21 32902341 OHOZRXULYQTDRN-LJQANCHMSA-N 383.517 3.526 0 40 GHAB CC(=O)Nc1cccc(NC(=O)Cc2csc(COc3ccccc3)n2)c1 33326286 OVHJYLKUURQVOS-UHFFFAOYSA-N 381.457 3.862 0 40 GHAB CC(C)n1nnnc1[C@@H](c1ccccc1Cl)N1CCN(c2ccccc2)CC1 35290677 UKOUMXPCCHNMLW-HXUWFJFHSA-N 396.926 3.819 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3c(C)noc3C)c3c(C)nn(C)c3n2)cc1 36613574 DMMWOPJHBOGVQR-UHFFFAOYSA-N 391.431 3.809 0 40 GHAB O=C(Cc1noc2ccccc12)OCc1cc(-c2ccc3c(c2)OCCO3)on1 36662522 YNSQNXRTNMPKTO-UHFFFAOYSA-N 392.367 3.540 0 40 GHAB Cc1ccc([C@H](C)N2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 36741153 SNMYPQLMRRFPMB-IBGZPJMESA-N 391.515 3.641 0 40 GHAB CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccccc1OCC(=O)N(C)C 40090491 LXPYCTBRLIRDDE-UHFFFAOYSA-N 380.488 3.870 0 40 GHAB CC(C)(C)N1CCC(NC(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 40155241 PXRHXCJXIUXUOO-UHFFFAOYSA-N 385.533 3.993 0 40 GHAB COc1ccc(/C=C/c2nc(-c3ccccc3OCC(=O)NC(C)C)no2)cc1 40488372 XJMIBRZLERDGIN-JLHYYAGUSA-N 393.443 3.819 0 40 GHAB COc1ccc(CCNC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC 43642810 BCEXFVUXLLWFJY-GOSISDBHSA-N 394.475 3.669 0 40 GHAB C[C@]1(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)CC1(Cl)Cl 44657111 CFAFXEFVTNGAQQ-QGZVFWFLSA-N 378.259 3.534 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl 44946638 HJNMVPQTVKHOFQ-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB COc1ccccc1NC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 48356084 MFVJOAPGDRHJIA-UHFFFAOYSA-N 376.416 3.664 0 40 GHAB Cc1ccc(NC(=O)c2nc(-c3cn(-c4cccc(Cl)c4)nn3)no2)cc1 49410302 ZMPZVSLATFFGRX-UHFFFAOYSA-N 380.795 3.531 0 40 GHAB COc1ccc(N2C(=O)C[C@@H](c3cccc(OC)c3)c3sc(=O)n(C)c32)cc1 49545050 WJKMDCPIDHIPFO-KRWDZBQOSA-N 396.468 3.664 0 40 GHAB COc1cc([C@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)cc2c1OCCO2 49549507 WQWANWIKQAIHPX-QGZVFWFLSA-N 389.477 3.842 0 40 GHAB O=C(CNC(=O)Nc1ccccc1N1CCCCC1)Nc1ccc(F)c(F)c1 57978196 IIANIGYUCZPFAG-UHFFFAOYSA-N 388.418 3.715 0 40 GHAB O=C(Nc1nc2ccccc2s1)N1CCN(C(=O)Oc2ccccc2)CC1 58404301 KNGJAIXESDBJOB-UHFFFAOYSA-N 382.445 3.645 0 40 GHAB O=C(CN1CCc2sccc2C1)N1CCn2cccc2[C@H]1c1ccccc1 58827270 CTQDYCYBTUSWJB-JOCHJYFZSA-N 377.513 3.540 0 40 GHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)Cc2cscn2)cs1 63591151 IEQHUXOERCPPJB-UHFFFAOYSA-N 384.530 3.596 0 40 GHAB O=C(NC1CCN(C(=O)c2ccc(-c3ccccc3F)s2)CC1)c1ccc[nH]1 65594251 VHFFPDHUGHMIQK-UHFFFAOYSA-N 397.475 3.917 0 40 GHAB Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)c1 71327121 ZBEYRNWEFKHFNZ-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 72303641 JNRYFGXKMUJINU-JAXLGGSGSA-N 395.499 3.973 0 40 GHAB CCN(CC)C(=O)CN1CCC(c2cccc(Cc3ccccc3F)n2)CC1 72348759 USKBCDWGSDGMTH-UHFFFAOYSA-N 383.511 3.859 0 40 GHAB COc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)c(OC)cc1Cl 72414243 ZCYIFIYHFJEMCV-UHFFFAOYSA-N 378.837 3.706 0 40 GHAB Cc1csc(C2(NC(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)CCCC2)n1 78673598 CBORRBKYVJKVGR-HNNXBMFYSA-N 377.554 3.622 0 40 GHAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cc(Br)ccc1F 78881477 PQCMAKIWEHAPHI-CQSZACIVSA-N 391.284 3.935 0 40 GHAB CCCCN(CC)Cc1cccc(CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1 79073974 CIXPDTDPEFDLCG-QGZVFWFLSA-N 391.556 3.838 0 40 GHAB COc1ccc2c(c1)c1cnn(Cc3cccc(C(F)(F)F)c3)c(=O)c1n2C 79464416 DJLBDXNGTJIUEH-UHFFFAOYSA-N 387.361 3.964 0 40 GHAB C[C@H](Oc1cccc(F)c1)C(=O)Nc1cc(-n2ccc3ccccc32)ncn1 90614291 NDBIJDSGVTZVIU-AWEZNQCLSA-N 376.391 3.966 0 40 GHAB CC[C@H]1CCCN(C(C)(C)CNC(=O)Nc2cnn(Cc3ccccc3)c2)C1 95958318 WNLNJCFMACBWIF-SFHVURJKSA-N 383.540 3.954 0 40 GHAB CC(C)(C)Oc1ccc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cn1 95995126 CYXHTVJBAQPOAS-UHFFFAOYSA-N 390.867 3.542 0 40 GHAB Cc1ccccc1C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 95998709 DXFARXWIFRNCEG-SFHVURJKSA-N 388.471 3.990 0 40 GHAB CSCC[C@H](NC(=O)Cc1ccc2c(c1)OCC2)c1nc2ccccc2[nH]1 96223571 ANEJWNCSKPOJHY-SFHVURJKSA-N 381.501 3.651 0 40 GHAB O=C(NCc1ccccc1)c1ccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 100756232 AMYDYBNJVAGEPH-RTBURBONSA-N 394.858 3.639 0 40 GHAB O=C(O)C1=C[C@@H](c2ccc(Cl)cc2)n2ncc(C(=O)Nc3ccccc3)c2N1 101836334 LVECFUFWEINQAZ-KRWDZBQOSA-N 394.818 3.772 0 40 GHAB CC(C)(C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCC1=CCCCC1 217433377 VPJWKMKMKMLSKV-UHFFFAOYSA-N 380.510 3.764 0 40 GHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222942790 KSYYEEYZMNWDNH-OAHLLOKOSA-N 386.517 3.736 0 40 GHAB CCOc1ccc(CCC(=O)NCCOc2ccc(OC)cc2)cc1OCC 224394699 WLMUJMRLQANIOU-UHFFFAOYSA-N 387.476 3.620 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccc(Br)c(C)c2)cc1C 224648348 BYDLUHHGDIQMBZ-UHFFFAOYSA-N 384.295 3.900 0 40 GHAB COc1cc(C)c(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(C)c1 225680134 ABADELOUZIWNCL-QGZVFWFLSA-N 375.490 3.893 0 40 GHAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)NCCC1=CCCCC1 225737932 BRHOGQOGZVIILX-UHFFFAOYSA-N 389.293 3.771 0 40 GHAB COc1ccc(C2OCC(C)(C(=O)Nc3ccc(OC(C)C)nc3)CO2)cc1 225916784 MWZCUHBZKPEYPG-UHFFFAOYSA-N 386.448 3.568 0 40 GHAB Cc1cc(S(=O)(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)ccc1F 245020880 MLOWVUVEFGTUMY-INIZCTEOSA-N 386.448 3.524 0 40 GHAB CC(C)[C@H]1COC(=O)N1c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)cn1 257225571 FGTQXDWRPDCZAX-MRXNPFEDSA-N 390.484 3.572 0 40 GHAB CC(=O)N[C@@H]1C[C@H](c2ccc(OCc3nccn3C)cc2)O[C@@H]2CCCC[C@@H]12 257310556 UFPLVFUYMCFHNO-DOIPELPJSA-N 383.492 3.524 0 40 GHAB COc1cc(N2CCCC[C@H]2C)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 260720683 SWFQCKXNXVXKDY-CABCVRRESA-N 385.537 3.912 0 40 GHAB O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1c[nH]nc1-c1ccccc1F 537383821 CIPJKOJAHGUMSV-CQSZACIVSA-N 384.842 3.878 0 40 GHAB CC(C)c1ccc2c(c1)[C@]1(CCO2)C[C@H]1C(=O)N[C@H](C)c1nnc2ccccn12 583619695 JWZGQDYARRVQCN-TWWFPWMWSA-N 390.487 3.770 0 40 GHAB Cc1cccnc1Nc1cc([C@@H]2CCCN(C(=O)/C=C/c3cnc[nH]3)C2)ccn1 585290522 BZOFKGDWGOJLGX-IPLHWJFFSA-N 388.475 3.671 0 40 GHAB Brc1cccc(C2(CN=c3[nH]cnc4ccccc34)CCOCC2)c1 613574693 HHNXGHCBFPIXGK-UHFFFAOYSA-N 398.304 3.975 0 40 GHAB CCO[C@H](C(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1)C(C)C 626857882 PVDULWGZFWELSM-INIZCTEOSA-N 388.493 3.787 0 40 GHAB O=C(O)c1cnc(C2CCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)s1 630245599 LIVNZQQNMKUYIJ-NEPJUHHUSA-N 390.427 3.916 0 40 GHAB NCC[C@H]1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C1 1263212948 HOMIJBSDTMVREQ-AWEZNQCLSA-N 384.867 3.597 0 40 GHAB CCC1(C(=O)N2CCOC3(CCN(C(=O)C[C@@H](C)C4CC4)CC3)C2)CCCC1 1615611022 IJVVJZWZPAJWTP-GOSISDBHSA-N 390.568 3.613 0 40 GHAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)NCC(C)C)c(=O)[nH]c2c1 883198 JPEPYDMQUJRLDZ-UHFFFAOYSA-N 383.517 3.962 0 40 GHAB Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 905647 PPCCHRFLYNXVMM-QGZVFWFLSA-N 394.496 3.859 0 40 GHAB CCc1ccccc1-n1c(SCC(=O)N[C@@H](C)CC)nnc1-c1ccccn1 1362743 VYKJJLPZBMESGO-HNNXBMFYSA-N 395.532 3.899 0 40 GHAB COC(CNc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCCC3)OC 2208603 NSLLMWOLJNEESS-UHFFFAOYSA-N 384.480 3.879 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(F)cc2Cl)c1C 3304251 GBKZTARENPYUJP-UHFFFAOYSA-N 381.787 3.640 0 40 GHAB O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc2c(c1)OCCO2 3318217 DHXAOKKTTLWSPH-UHFFFAOYSA-N 391.423 3.858 0 40 GHAB Cc1cc(C(=O)COC(=O)c2cnccn2)c(C)n1Cc1ccccc1Cl 3524494 WWJVWJLQXNOPOU-UHFFFAOYSA-N 383.835 3.636 0 40 GHAB NC(=O)c1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CCCC2 3672460 MIXOFHANKZDGMS-UHFFFAOYSA-N 398.406 3.762 0 40 GHAB O=C(CC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2 4105595 LVVOBGKFYUUCGT-AREMUKBSSA-N 375.469 3.683 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c(c1=O)S[C@H](C)C2 4107920 JHUIAMLVGALLHL-SNVBAGLBSA-N 395.937 3.684 0 40 GHAB O=S(=O)(O)c1nc2ccccc2n1CCOc1ccc(Cl)cc1Cl 4386083 JUEVQZGHWYQLMN-UHFFFAOYSA-N 387.244 3.669 0 40 GHAB O=C(COc1ccccc1Cl)NC(=S)Nc1cc(C(=O)O)ccc1Cl 4599738 MHBNGRDGJXRUFR-UHFFFAOYSA-N 399.255 3.584 0 40 GHAB CC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC(=O)OC34CCCCC4)cc2)CC1 4744389 XDFUUUCUPJEBLM-IBGZPJMESA-N 398.503 3.763 0 40 GHAB Nn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1ccc(F)cc1 5316576 COVBXKBRJICBAX-UHFFFAOYSA-N 392.843 3.515 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cccc(OC)c1 5500116 FTKHGHLZGIMZQR-UHFFFAOYSA-N 398.488 3.713 0 40 GHAB CC[C@](C)(C(=O)Nc1ccccc1C)N(C(=O)CNC(C)=O)c1ccc(C)cc1 6224912 WGKPLRDFGVHHMK-HSZRJFAPSA-N 395.503 3.580 0 40 GHAB COc1cc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cc(OC)c1OC 6249154 KGHSUOWVEDMHPC-UHFFFAOYSA-N 384.476 3.884 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(Cl)cc1 6343159 AUKVIAVDXZELSW-UHFFFAOYSA-N 381.657 3.779 0 40 GHAB S=C1N[C@H](c2ccc(Cl)cc2)N2C(=S)N[C@H](c3ccc(Cl)cc3)N12 6512713 CDSHLCXOUSAOLQ-KBPBESRZSA-N 395.340 3.986 0 40 GHAB COc1cc2c(cc1NC(=O)[C@H]1CS[C@]3(C)CCC(=O)N13)oc1ccccc12 6945709 VRJOQLCNKQSRKM-QVKFZJNVSA-N 396.468 3.987 0 40 GHAB CC(C)C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 7037035 PRLWELVNCIQFAG-FQEVSTJZSA-N 378.472 3.966 0 40 GHAB O=C([C@H]1CN(Cc2cc(-c3ccco3)on2)c2ccccc2O1)N1CCCCC1 7252323 XECQOCSWVDFKLZ-OAQYLSRUSA-N 393.443 3.715 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccccc1 7307980 UHGCKBSQLGBKGX-GFCCVEGCSA-N 384.295 3.887 0 40 GHAB Cc1cc(C)cc(OCC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c1 7406514 QRTQIAJYJNOCFF-UHFFFAOYSA-N 381.259 3.744 0 40 GHAB COCCn1c([C@@H]2CC(=O)N(c3cccc(SC)c3)C2)nc2ccccc21 7544110 AGLJAHNCDGRQIW-OAHLLOKOSA-N 381.501 3.925 0 40 GHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1ccccc1F 7671544 OIEDUOMYNWECCA-UHFFFAOYSA-N 387.842 3.697 0 40 GHAB Cc1cccc(OCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 7842337 GADKIDJFQVEERV-UHFFFAOYSA-N 376.460 3.997 0 40 GHAB O=Cc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 7929467 HQTGWLGREBJSIT-GFCCVEGCSA-N 378.211 3.764 0 40 GHAB CCOc1ccccc1C(=O)N(CC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 7983572 PZPOEKNGTAOZOI-UHFFFAOYSA-N 385.851 3.638 0 40 GHAB Cn1cc(C(=O)N2CCCc3ccccc32)c(-c2ccc3c(c2)OCCCO3)n1 7985330 LVQQKKLJVWCKOC-UHFFFAOYSA-N 389.455 3.841 0 40 GHAB CC1CCN(Cc2csc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)n2)CC1 8038528 AHOASHJLBDLGHG-KRWDZBQOSA-N 385.489 3.615 0 40 GHAB C[C@@H](NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 8040938 JWRPDJYVYOJWES-OAHLLOKOSA-N 394.924 3.764 0 40 GHAB Cc1cccc(N2C(=O)N(c3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@@H]32)c1C 8064211 FYYSYSMIRGHJST-ROUUACIJSA-N 390.892 3.569 0 40 GHAB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 8371572 LQQGUTUQDCJOQT-MDWZMJQESA-N 375.211 3.968 0 40 GHAB COCCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(C)c(Cl)c2)n1 8477000 VVZSLVWSRQNESO-UHFFFAOYSA-N 398.894 3.971 0 40 GHAB COc1ccc(-c2nnc(S[C@H](C(N)=O)c3ccccc3)n2C(C)C)cc1 8748444 LNXNBVDWRSNKHQ-KRWDZBQOSA-N 382.489 3.853 0 40 GHAB COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3sccc3c2)cc1 10219500 KXTWNAPNFUYMGI-UHFFFAOYSA-N 375.471 3.712 0 40 GHAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 10253601 VGJYWWUSUZIAGI-UHFFFAOYSA-N 387.486 3.640 0 40 GHAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(OC(F)(F)F)cc1 11328973 CGQMHOSOBGEWGW-UHFFFAOYSA-N 378.310 3.602 0 40 GHAB C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1nc(-c2ccncc2)n[nH]1 12114854 HSLKPBBPQBKARM-ZDUSSCGKSA-N 381.867 3.819 0 40 GHAB CCc1ccc(CN(C)C(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 12326269 PVXYZXNIZIFISZ-OAQYLSRUSA-N 393.531 3.558 0 40 GHAB COc1cc(-c2cnc(NCc3ccco3)nc2-c2cccs2)nc(OC)n1 12327973 DCRWSBMWVUASSB-UHFFFAOYSA-N 395.444 3.884 0 40 GHAB COc1cc(OC)cc([C@H](NC(=O)Nc2ccc(C)cc2)c2nccn2C)c1 12507642 XHXGJASKKBJIGI-IBGZPJMESA-N 380.448 3.657 0 40 GHAB C[C@H]1SC(NCc2ccc3c(c2)OCO3)=NN=C1c1c[nH]c2ccccc12 12595080 SREHFHSYINRJIZ-GFCCVEGCSA-N 378.457 3.882 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)N2CCCCC2)cc1 12781683 XIJJVCIDQPDCJR-HXUWFJFHSA-N 397.519 3.800 0 40 GHAB O=C(OCc1cnn(-c2ccccc2)c1)c1cc(=O)c2cc(Cl)ccc2o1 12795408 ZGAAZMSMDQTWJA-UHFFFAOYSA-N 380.787 3.989 0 40 GHAB O=C([C@@H]1CCCO1)N1CCN(Cc2c(-c3ccccc3)[nH]c3ccccc23)CC1 12885847 REEWEYLNAQSGSA-QFIPXVFZSA-N 389.499 3.658 0 40 GHAB COCCn1c(S[C@H]2CCCCCC2=O)nc2sc3c(c2c1=O)CCC3 12897057 VSKMWCJSKYPXHQ-HNNXBMFYSA-N 392.546 3.587 0 40 GHAB CN(Cc1cccs1)C(=O)COC(=O)c1ccc(COc2ccccc2)o1 12967778 MWRCOLUIGHRZBH-UHFFFAOYSA-N 385.441 3.736 0 40 GHAB CCOC(=O)c1[nH]c(C)c(C(=O)COC(=O)[C@@H](C)Sc2ccccc2)c1C 12971269 CFDXGFCRTVMILO-CQSZACIVSA-N 389.473 3.715 0 40 GHAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cc2Cl)C1 12985422 FXZVAQBMRSBIJS-JTQLQIEISA-N 389.677 3.910 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@H](c1cccs1)N(C)C 13024291 VDHQUWLTRLRBIV-QGZVFWFLSA-N 386.496 3.722 0 40 GHAB O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21 13696966 PUDAAROYNHTFKG-UHFFFAOYSA-N 382.894 3.501 0 40 GHAB O=C(CSc1ccc(NC(=O)C2CC2)nn1)Nc1cc(Cl)ccc1Cl 13702040 VVXMYRKYZRKSRK-UHFFFAOYSA-N 397.287 3.863 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 14059097 RSKOMSCJKADRJK-UHFFFAOYSA-N 382.851 3.749 0 40 GHAB COc1ccc(C(=O)C2CCN(CCOc3ccccc3C(C)=O)CC2)cc1 14325952 WAPYNJIYNUHFSH-UHFFFAOYSA-N 381.472 3.872 0 40 GHAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc2c(c1)OC1(CCCC1)O2 14349961 VKDNXIYWYBMCOW-UHFFFAOYSA-N 392.415 3.744 0 40 GHAB Cc1ccc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)cc1S(=O)(=O)N1CCCCCC1 15313009 SECMOGOIAKHRPE-AOIWGVFYSA-N 388.533 3.710 0 40 GHAB COC[C@@H](C)NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 15963930 NVVZHYSBNVEAAJ-LLVKDONJSA-N 377.897 3.873 0 40 GHAB Cc1cccc(-c2noc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)n2)c1 16841949 OOKNRTCXXDMKFG-UHFFFAOYSA-N 383.411 3.570 0 40 GHAB Cc1nc(NC(=O)c2cc(=O)c3ccccc3o2)sc1C(=O)OCC(C)C 17044196 TZRJRFPHKMHNBJ-UHFFFAOYSA-N 386.429 3.623 0 40 GHAB COc1ccc(CN(C[C@H]2CCOC2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 19554732 AERWKIAWXUDZGE-YFXJRYMSSA-N 385.479 3.855 0 40 GHAB Cc1nn([C@@H](C)CC(=O)N2CCCC[C@H]2CCN2CCCC2)c(C)c1Cl 19577538 NYXOOTGPQFKGLB-YJBOKZPZSA-N 380.964 3.971 0 40 GHAB CN(C)c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)nc(-c2cccnc2)n1 19584354 HFSJDACNSZQSJH-IBGZPJMESA-N 393.535 3.891 0 40 GHAB CNc1ncc(C(=O)Nc2nc(-c3cc(C)c(OC)cc3C)c(C)s2)cn1 19666018 PMKXTCZCKLMTJS-UHFFFAOYSA-N 383.477 3.828 0 40 GHAB CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCN(C)C3 19707996 SFWQUUITEBKVOL-UHFFFAOYSA-N 385.558 3.801 0 40 GHAB CC[C@H](NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)cc1 19933800 GFSGXBZZLSZIIP-FQEVSTJZSA-N 388.533 3.645 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)c1 20060375 BAFNJTQXKBWUBV-ROUUACIJSA-N 379.489 3.601 0 40 GHAB O=C(NCc1ccccc1Cl)c1ccc(-n2cnc3ccccc3c2=O)cc1 21703395 LPQDQHCMVSJYCK-UHFFFAOYSA-N 389.842 3.969 0 40 GHAB COc1cccc(OCC(=O)NCc2cc(-c3cc4ccccc4o3)on2)c1 22768748 QQLMRYYJXGNMRF-UHFFFAOYSA-N 378.384 3.792 0 40 GHAB C[C@H](NC(=O)[C@@H](C)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 22790165 CFQZUFSGKYLOHN-QOANIYFMSA-N 377.532 3.583 0 40 GHAB CC(=O)c1cccc(NC(=O)C2CCN(c3ccc(-c4ccco4)nn3)CC2)c1 23143383 LWGPPHBRFIZNKW-UHFFFAOYSA-N 390.443 3.794 0 40 GHAB O=C1C(=O)N(CN2CCC[C@H](c3nc4ccccc4s3)C2)c2ccc(F)cc21 23883383 BYDOIRULQHAPAC-ZDUSSCGKSA-N 395.459 3.802 0 40 GHAB CCn1c(-c2ccccc2C)nn(CN2CCN(c3ccccn3)CC2)c1=S 24045036 BLJMCHASRFSXED-UHFFFAOYSA-N 394.548 3.584 0 40 GHAB CC(C)NC(=S)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 25571385 UAITYQCISMYYEV-UHFFFAOYSA-N 389.515 3.955 0 40 GHAB Cc1cc(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)sn1 26771058 WPRWYCIRAJFZBE-ZDUSSCGKSA-N 379.747 3.914 0 40 GHAB Cc1ccc(Cn2cc(NC(=O)[C@H](C)n3nc(C(F)(F)F)cc3C)cn2)cc1 28238234 DWNBSHIWJWYYSE-AWEZNQCLSA-N 391.397 3.963 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 28329018 LDKKTWJOGJKPJA-NSHDSACASA-N 387.379 3.532 0 40 GHAB CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(NC(N)=O)cc3)o2)cc1 32899151 DYQAMEOABWQTLQ-UHFFFAOYSA-N 377.400 3.570 0 40 GHAB C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)c1cc2ccccc2o1 32915985 RNHHOTNTYWNNBE-SFHVURJKSA-N 377.488 3.763 0 40 GHAB CCc1ccc(NC(=O)CSCc2cc(=O)c3cccc(OC)c3[nH]2)cc1 33064257 JOYSGEMEVWYBEW-UHFFFAOYSA-N 382.485 3.971 0 40 GHAB O=c1c2cc(Br)ccc2ncn1[C@@H]1CCc2ccccc2N=C1O 36354876 ZDTFTWSXPWUNEQ-MRXNPFEDSA-N 384.233 3.935 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H](c1ccccc1)N1CCCC1 40012827 PXIUGGHBQAUTNF-JOCHJYFZSA-N 382.552 3.652 0 40 GHAB C[C@H](NC(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 40068795 SKRDHKJAPZAKIF-LBPRGKRZSA-N 397.372 3.635 0 40 GHAB COc1ccc(C)cc1/C=C/C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 40090923 HISBNNIIFISTOC-KOEDOTQGSA-N 384.520 3.514 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1ccc2c(c1)OCO2 40119739 VCMNSMWBWCEYOY-UHFFFAOYSA-N 397.862 3.730 0 40 GHAB Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)NCc3ccccc3Cl)n2)cc1 44213807 IYIFSJOIVKJALJ-HNNXBMFYSA-N 381.863 3.750 0 40 GHAB CCOc1c(Br)cc(/C=C2\SC(=S)N(C)C2=O)cc1OC 47080700 RSNDQXRDXXOIEJ-XFFZJAGNSA-N 388.308 3.687 0 40 GHAB COC(=O)c1cn(CC(=O)N[C@H](C)Cc2ccccc2Cl)c2ccccc12 48287312 PXLHIPWCEVQLIV-CQSZACIVSA-N 384.863 3.829 0 40 GHAB O=C(NCc1ccccn1)c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1 49544911 URBLGGAWXCQPAT-UHFFFAOYSA-N 395.825 3.781 0 40 GHAB Cc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccccc3F)n2)cc1 57486888 ISQFKBVCUANSFG-UHFFFAOYSA-N 390.418 3.969 0 40 GHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@H]1c1cccc(F)c1 59227884 BCHQXCOFHQBVJK-KRWDZBQOSA-N 384.798 3.670 0 40 GHAB Cc1ccc(-n2nc(-c3nc(-c4ccccn4)no3)c3ccccc3c2=O)cc1 64949623 ISGJQGKLXBIGEE-UHFFFAOYSA-N 381.395 3.806 0 40 GHAB O=S(=O)(c1ccc2nncn2c1)N(Cc1ccc(Cl)cc1)c1ccccc1 67245778 TVFGILMCVNQSNW-UHFFFAOYSA-N 398.875 3.778 0 40 GHAB CCOC(=O)[C@@H]1CCCN(c2nccn3nc(-c4ccc(C)cc4C)cc23)C1 67285064 DLHZUSITNGEHRC-QGZVFWFLSA-N 378.476 3.793 0 40 GHAB O=C(NCc1ccccn1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323906 UZVMAGAIKRKANN-UHFFFAOYSA-N 389.459 3.584 0 40 GHAB O=C(Cc1cccc2ccccc12)N1CC(c2nc(Cc3ccccc3)no2)C1 77099557 OWLNUWCDIZPRFE-UHFFFAOYSA-N 383.451 3.982 0 40 GHAB C[C@@]1(CCc2ccccc2)CCN(C(=O)CCn2ncc(=O)c3ccccc32)C1 79050069 CCHPODQKAXKOSO-XMMPIXPASA-N 389.499 3.658 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)s1 89725112 FAIYJIXSCKNNJZ-UHFFFAOYSA-N 380.413 3.554 0 40 GHAB Cc1ccc(-c2nc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)no2)cc1 96125451 IQEVTJMRHHPKBF-UHFFFAOYSA-N 376.460 3.624 0 40 GHAB c1cncc(CNc2ccc3c([C@H]4CCCN4Cc4nccs4)nnn3c2)c1 96156574 JIBXUIDREFOMSS-QGZVFWFLSA-N 391.504 3.530 0 40 GHAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1OC 96265418 SDLOIMMVZDBLLX-UHFFFAOYSA-N 387.823 3.679 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 101183081 IVCLPPATURSDDN-OHHBCXFOSA-N 392.842 3.904 0 40 GHAB O=C(c1ccc(F)c(F)c1)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101323112 KIUIMXIWFMMIIZ-HUUCEWRRSA-N 391.439 3.574 0 40 GHAB CCc1ccc2c(COC(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc(=O)oc2c1 102773238 PROPZSZIEKLYDG-SNTCSEMISA-N 382.456 3.730 0 40 GHAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)OCc1c(F)cccc1Cl)(C3)C2 103260740 CZGOZQUQTBJFLA-NILVNCKXSA-N 379.859 3.997 0 40 GHAB Cc1ccc(N2C(=O)/C(=C\NC[C@@H]3CCCO3)c3ccccc3C2=O)cc1C 105015623 IRJXQYUBBMUNDN-SBGXLDQMSA-N 376.456 3.600 0 40 GHAB CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc3cn[nH]c3c2)CC1 105464600 FJUAGACQBILKDJ-INIZCTEOSA-N 381.499 3.695 0 40 GHAB CC(C)c1ccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 113966751 LLEHMHWBWWFXOM-AWEZNQCLSA-N 378.469 3.742 0 40 GHAB Cc1cccc(NC(=O)C(=O)NCc2ccc([C@H](O)c3ccccc3)s2)c1C 211091048 UWEORYCYJTZQQV-HXUWFJFHSA-N 394.496 3.702 0 40 GHAB CN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)S(C)(=O)=O 223141856 RBAKLJLQAHAWSN-OAHLLOKOSA-N 387.288 3.565 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 224047883 UHDMZPUZNDZAII-CYBMUJFWSA-N 380.897 3.978 0 40 GHAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(N3CCOCC3)cc2)cc1 224123871 VRNITGBNZXWEAO-UHFFFAOYSA-N 382.504 3.630 0 40 GHAB Cn1c(=O)sc2cc(NC(=O)Cc3cccc(Br)c3)ccc21 225073105 UTORFZFJDJTQRW-UHFFFAOYSA-N 377.263 3.544 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cccc(Cl)c1 225408750 FHYVWLVKYPXDOU-CYBMUJFWSA-N 395.286 3.536 0 40 GHAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 225738008 QQGICVHFLXTNCS-NRFANRHFSA-N 376.497 3.612 0 40 GHAB Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1CCN(C)CC1 226330957 KNJBNOOGAKXZBI-UHFFFAOYSA-N 393.318 3.888 0 40 GHAB O=C(CSC1=N[C@H]2SC3=C(CCCC3)[C@@H]2C(=O)N1)Nc1ccccc1F 226818344 FHFOPDJUALHSRS-WBVHZDCISA-N 391.493 3.500 0 40 GHAB COCCCNC(=O)C1(Cc2cccc(-c3cccc(OC)c3)c2)CCOCC1 257241601 HYQOPJFKKYBHHZ-UHFFFAOYSA-N 397.515 3.854 0 40 GHAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257282423 OTSLUCSTKDLBGS-LJQANCHMSA-N 397.500 3.812 0 40 GHAB CCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCC[C@H](C)C2)n1 260732886 CPISVAFSKOVJBK-INIZCTEOSA-N 390.601 3.646 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3cccs3)C[C@@H]2N1Cc1ccc(F)cc1 306144469 ZGCTZEIPAMHXRI-PMACEKPBSA-N 381.476 3.770 0 40 GHAB CCn1c(COc2ccccc2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 409326683 DFHAZGQHTSYHFU-RDJZCZTQSA-N 388.537 3.664 0 40 GHAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@H](C)c1ccccc1 409333168 CNISWZKXTMQEFL-SQGPQFPESA-N 388.533 3.565 0 40 GHAB CC1(C)Cc2n[nH]cc2CN(C(=O)NCc2cccc(-c3ccccn3)c2)C1 585098373 PYBAAYMMWDZAGR-UHFFFAOYSA-N 375.476 3.766 0 40 GHAB O=C(N[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1)N1[C@H]2CC[C@H]1CC1(CC1)C2 624028385 PTZLRJVZGRHXMV-MUGJNUQGSA-N 392.503 3.819 0 40 GHAB COCC(=O)Nc1cccc(CNC(=O)N2CCC(C)(C)CC(C)(C)C2)c1 663581768 XCQKHNBHGLSZBM-UHFFFAOYSA-N 375.513 3.629 0 40 GHAB Cc1ccncc1Cc1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1 664802463 QDPCKZHVCVLMJU-UHFFFAOYSA-N 397.910 3.826 0 40 GHAB Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1 1133855786 KYOVNKRERCTNJL-FQEVSTJZSA-N 392.434 3.913 0 40 GHAB O=C(NC1CC1)C1(Nc2nccs2)CCN(Cc2ccccc2Cl)CC1 2055745777 ZQZMOQSFMWTUMT-UHFFFAOYSA-N 390.940 3.522 0 40 GHAB Cc1cc(C)c2nc(N3CCN(c4nc(O)cc(C(F)F)n4)CC3)sc2c1 2087044502 CLXGFHRNXIEZRJ-UHFFFAOYSA-N 391.447 3.673 0 40 GHAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N(CC)CC)cc2c1 893279 BLJFNZSBZWMBPV-FQEVSTJZSA-N 394.523 3.623 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 905327 XIUWZLACNWATOY-CQSZACIVSA-N 386.477 3.673 0 40 GHAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nc2ccccc2c1=O 905562 RAHQZEGWYHLHDU-UHFFFAOYSA-N 375.453 3.818 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1 929486 LOSKGKNDZQPQJO-UHFFFAOYSA-N 386.429 3.737 0 40 GHAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCCCCC3)cc2c1 930095 BYIFJNLSFQWUEI-IBGZPJMESA-N 394.523 3.543 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@H]1c1cccnc1 955235 LRHZHZHYOCJKQS-KRWDZBQOSA-N 395.850 3.846 0 40 GHAB CCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=C3SCCC(=O)N32)cc1 2484754 MBZYETMCSNYDQI-GOSISDBHSA-N 388.489 3.689 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1OC 2616456 RZYLXRNQXJUIPO-UHFFFAOYSA-N 386.267 3.657 0 40 GHAB COc1ccc(C(=O)COC(=O)CCc2nc3ccccc3s2)c(OC)c1 3343309 MMCIJAADPYWRGW-UHFFFAOYSA-N 385.441 3.672 0 40 GHAB CC(=O)Nc1ccc(C(=O)N2CCc3cc4c(cc3[C@@H]2C)OCCCO4)cc1 4090526 PMDXNZBHFBSSOO-AWEZNQCLSA-N 380.444 3.566 0 40 GHAB biogenic C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3OCC(=O)c3ccccc3)C(=O)[C@@H]2C1 4145769 NQUSDZVGNBFUCT-KBAYOESNSA-N 377.440 3.874 0 40 GHAB COc1ccc(-c2nnc(NCCc3c[nH]c4ccc(Cl)cc34)[nH]c2=O)cc1 4818477 FVZCZMPJDYWXRE-UHFFFAOYSA-N 395.850 3.630 0 40 GHAB CCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccoc1C 4860701 WQCRQEYAZKYSPU-UHFFFAOYSA-N 377.495 3.752 0 40 GHAB COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccccc3Cl)SC2)c1 5047166 QAAVOVQRSYVIFG-UHFFFAOYSA-N 386.864 3.974 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2-n2cccc2)c1C 5242326 OWDYSSPXMBXZJH-UHFFFAOYSA-N 393.472 3.999 0 40 GHAB COc1cccc(CN(C)C(=O)CSc2nc3cc(C)ccc3[nH]2)c1OC 5267469 QQEJENIUJJQKDQ-UHFFFAOYSA-N 385.489 3.639 0 40 GHAB COc1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1Cl 5439182 DWTBCCJVRWFWIA-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB O=C1C[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)CN1Cc1ccccc1 6606886 BINNYMSPKISWPW-GOSISDBHSA-N 394.496 3.919 0 40 GHAB COc1cc(C(=S)N2CCCC2)ccc1OS(=O)(=O)c1ccc(C)cc1 6841779 SFGKMIXTUZTGKL-UHFFFAOYSA-N 391.514 3.543 0 40 GHAB CSc1ccccc1NC(=O)CN(C)C(=O)c1cccc(Br)c1 7350931 VNMIFTVVQCWBCH-UHFFFAOYSA-N 393.306 3.882 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N(C)Cc1ccc(Cl)cc1 7918080 JSVHGIHOQDNXIJ-MRXNPFEDSA-N 387.911 3.532 0 40 GHAB C[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)N1CCCCCC1 8315910 JBEYHTLSAMFVFH-HNNXBMFYSA-N 381.505 3.699 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(C)o2)ccc1C 8316118 VIRKSQYLVNMTGY-VAWYXSNFSA-N 376.478 3.579 0 40 GHAB COc1ccc(Cn2nnnc2SCc2coc(-c3cccs3)n2)cc1 8325361 VNAMJJAUGJBNHC-UHFFFAOYSA-N 385.474 3.739 0 40 GHAB O=C(O)c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2cccnc2)cc1 9009480 PFGHSRCQERYJBN-NRFANRHFSA-N 396.406 3.920 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)CC(C)C)cc3C2)cc1 9203296 VSFNAICFFMBTMB-UHFFFAOYSA-N 386.517 3.727 0 40 GHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCC3)ccc2Cl)cc1 9367481 APMMJWRJUWDSTA-UHFFFAOYSA-N 394.880 3.888 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O 9699799 YYXOIGKWPYISMT-LBPRGKRZSA-N 378.350 3.706 0 40 GHAB COc1ccc2cc(CNC(=O)NCc3ccc(OC)c(OC)c3)ccc2c1 9710754 GJUKYQRYXOOASG-UHFFFAOYSA-N 380.444 3.865 0 40 GHAB CSc1ccc(OCc2cc(=O)n3cc(Br)ccc3n2)cc1 9862697 RNIZNRATCHZHAQ-UHFFFAOYSA-N 377.263 3.758 0 40 GHAB CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1 10287176 KQEHZIBBHATSFR-UHFFFAOYSA-N 392.908 3.791 0 40 GHAB COc1ccc(-c2n[nH]c(S[C@H](C(=O)NC3CC3)c3ccc(F)cc3)n2)cc1 10937289 GLJIRUDYEXRSLE-KRWDZBQOSA-N 398.463 3.731 0 40 GHAB COc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(F)c3)n2)c1 11693323 SBADXDIVNLCTLM-UHFFFAOYSA-N 399.397 3.616 0 40 GHAB C[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)C[C@@H](C)O1 11923269 WQYFVXUJSXVRNN-HZPDHXFCSA-N 381.501 3.909 0 40 GHAB O=C(CN1CCCc2ccccc21)Nc1ccccc1C(=O)NCc1ccco1 12526816 ZJNQNENGNKJKRD-UHFFFAOYSA-N 389.455 3.601 0 40 GHAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccccc1F 12527245 GSDQFBHFSPVGHH-UHFFFAOYSA-N 393.484 3.540 0 40 GHAB C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)CC(=O)Nc1ccc(Cl)cc1 13095689 WJYOOFCOLHCPQF-GFCCVEGCSA-N 380.275 3.891 0 40 GHAB COc1ccc(-c2nc(N)ncc2Oc2ccccc2Br)c(O)c1 13127179 QNMGDSFFDPPYQV-UHFFFAOYSA-N 388.221 3.995 0 40 GHAB biogenic CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(Cl)c(Cl)c1 13567436 HUTHVNOKUHVRMR-VIFPVBQESA-N 384.288 3.673 0 40 GHAB CCC(=O)Nc1c(S(=O)(=O)c2ccc(C)c(C)c2)c(C)c(C)n1CCOC 13721206 RJUAGKTWOKRDLK-UHFFFAOYSA-N 392.521 3.549 0 40 GHAB Cn1c(=O)n(CCC(=O)Nc2ccc(SC(F)F)cc2)c2ccccc21 14085269 HBKFGOLMROUCPK-UHFFFAOYSA-N 377.416 3.684 0 40 GHAB C[C@H]1CCCC[C@]12NC(=O)N(CN(Cc1ccccc1)CC(F)(F)F)C2=O 14200333 BQXTXJKWSBFFLV-KSSFIOAISA-N 383.414 3.509 0 40 GHAB CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C1CCCC1 14232134 KWGCWIPLBBYLNI-UHFFFAOYSA-N 398.956 3.919 0 40 GHAB Cc1nc(C(=O)N(C)CCOc2ccc(Cl)cc2)nn1-c1ccc(F)cc1 15193163 RUWNPOSIOMKJRF-UHFFFAOYSA-N 388.830 3.519 0 40 GHAB Cc1cnc2c(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCCC3)cnn2c1 19239313 UUWWIFYKJULUFP-UHFFFAOYSA-N 392.459 3.742 0 40 GHAB O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(CC3CCCCC3)C2)no1 19405408 GKRSBMKVSZBIMO-LJQANCHMSA-N 382.508 3.759 0 40 GHAB CCCC(=O)N1CCC[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 19501211 UKUYWVUSBVNMFD-XMMPIXPASA-N 393.531 3.788 0 40 GHAB CCn1c(CN2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)nc2ccccc21 19524317 XQWSDBNXVSWAGZ-YADARESESA-N 388.515 3.695 0 40 GHAB Cc1cc(C)n(C[C@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)n1 19573565 XPAQDHBWVKKGED-KXBFYZLASA-N 391.519 3.673 0 40 GHAB C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1nc(-c2cnn(C)c2)cs1 19661607 OEHNRZLBJYKCBD-SNVBAGLBSA-N 396.394 3.968 0 40 GHAB CC1=C(C)C[C@@H](C(=O)N2CCC(c3ccc(-c4cnc(N)nc4)cn3)CC2)CC1 19687813 PMCUPTBGVJEPKV-SFHVURJKSA-N 391.519 3.963 0 40 GHAB O[C@@H](CN1CCOCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 19855039 MQIMMVBJAICTOC-HNNXBMFYSA-N 379.287 3.794 0 40 GHAB Cc1ccc(C(=O)Nc2sc(Nc3ccccc3)nc2C(N)=O)c(Cl)n1 20357348 BNTNNMXPYZQFQP-UHFFFAOYSA-N 387.852 3.595 0 40 GHAB COc1ccc2c(ccn2CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 20728844 JRAZZHFTVCRAJK-UHFFFAOYSA-N 383.879 3.652 0 40 GHAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(-c2ccc[nH]2)cs1)C(C)C 22067301 LUFSDWHCPMDONY-KRWDZBQOSA-N 382.489 3.840 0 40 GHAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NCc1ccc2c(c1)OCO2 22245446 UVKVMFMWHMMCGX-UHFFFAOYSA-N 381.457 3.878 0 40 GHAB C[C@@H](Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)c1ccco1 25581384 SAFIMSMSOYHJPQ-CYBMUJFWSA-N 384.505 3.778 0 40 GHAB Cc1ccsc1CNC(=O)c1occc1CS(=O)(=O)c1ccccc1 25720099 RHHXOOPXZIKMCF-UHFFFAOYSA-N 375.471 3.553 0 40 GHAB COc1ccccc1-c1cc(COC(=O)Cc2ccc(NC(C)=O)cc2)on1 26273278 QFFLRRWUJUCGKF-UHFFFAOYSA-N 380.400 3.595 0 40 GHAB COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1OCc1ccncc1 31916002 NOFBYMOYOHQULT-UHFFFAOYSA-N 381.457 3.867 0 40 GHAB Cc1ccc(Cn2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccc(F)cc32)cc1 32073025 CERCQXMREXMPSY-NRFANRHFSA-N 376.391 3.609 0 40 GHAB O=C(NCc1nc2ccccc2s1)[C@H]1CCCN(C(=O)c2cccs2)C1 32755004 YEXCZFPASYKMCZ-ZDUSSCGKSA-N 385.514 3.526 0 40 GHAB CN(Cc1nc2ccccc2n1C(F)F)S(=O)(=O)c1cccc(Cl)c1 32759548 JVJKYWDWBUZXKK-UHFFFAOYSA-N 385.823 3.906 0 40 GHAB C[C@@H](NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc(-n2ccnc2)cc1 32787231 PAXOHJDNFKZWMK-QGZVFWFLSA-N 388.471 3.880 0 40 GHAB COc1ccc(CCN(C)C(=O)c2ccc3nc(C)c(C)nc3c2)cc1OC 32820146 LNIZQEOFXNXPLH-UHFFFAOYSA-N 379.460 3.579 0 40 GHAB O=C(COC(=O)c1cccnc1-n1cncn1)c1ccc(C2CCCCC2)cc1 39552934 IXMHPJVBWXUVJW-UHFFFAOYSA-N 390.443 3.750 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)N2CCN(Cc3cccs3)CC2)c1 40103917 VTYMAVSLCGPTOE-UHFFFAOYSA-N 389.521 3.895 0 40 GHAB O=C(CS(=O)(=O)c1cccc(Br)c1)Nc1cccc(Cl)c1 40106495 YPDAOAAASMXWKR-UHFFFAOYSA-N 388.670 3.515 0 40 GHAB Cc1n[nH]c(C)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 40156416 NZJFASSZBPKTLH-HXUWFJFHSA-N 376.416 3.522 0 40 GHAB Cc1ccc(-c2noc(-c3cccn4c(=O)n(Cc5ccccc5)nc34)n2)cc1 49006618 YZSQGCSJQCNHRG-UHFFFAOYSA-N 383.411 3.570 0 40 GHAB C=COCCCNc1ncc(-c2ccsc2)c(-c2cnc(OC)nc2OC)n1 57743961 QVVOEFNVPLFQSD-UHFFFAOYSA-N 399.476 3.641 0 40 GHAB CCCCCNC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 58773637 QMYBRUVDVIVTFS-UHFFFAOYSA-N 397.397 3.988 0 40 GHAB CC(C)[C@H]1Nc2ccccc2C(=O)N1CCC(=O)Nc1nnc(C2CCC2)s1 61720778 PWCAPSNYDZDYQE-KRWDZBQOSA-N 399.520 3.684 0 40 GHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1c(O)cc(F)cc1F 66045005 FDJILTBMFNSAEE-QGZVFWFLSA-N 383.398 3.723 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)c(C)c1 67235994 ZFFNZUPVOVFXMU-UHFFFAOYSA-N 384.505 3.962 0 40 GHAB Cc1ccccc1-n1c(=O)c2sccc2n(Cc2ccc(F)c(F)c2)c1=O 67258088 XLBSYUWWRWRIIM-UHFFFAOYSA-N 384.407 3.849 0 40 GHAB COC(=O)c1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 71279432 LPVPOSIPSIMWBR-MRXNPFEDSA-N 383.448 3.982 0 40 GHAB C[C@@H](NC(=O)Nc1ccccc1OC[C@H]1CCCCO1)C(C)(C)CN(C)C 79062325 HBXWYUWTEBNARM-IAGOWNOFSA-N 377.529 3.732 0 40 GHAB Cc1sc2nc(S[C@H]3C[C@H](C)OC3=O)n(C3CCCC3)c(=O)c2c1C 84065445 JTYYTHTWELAIPZ-ZANVPECISA-N 378.519 3.986 0 40 GHAB Cn1nc(-c2ccccc2)cc1C(=O)N1CC(Oc2nc3ccccc3s2)C1 90594002 UTHCFCXMPOTHSX-UHFFFAOYSA-N 390.468 3.600 0 40 GHAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)n2)cc1 95962926 LJOZJORZPCLFSA-CYBMUJFWSA-N 393.896 3.550 0 40 GHAB COc1ccccc1CN(C)CCNC(=O)c1cccnc1Oc1ccccc1 95971536 YOOIOPVHTTXGLT-UHFFFAOYSA-N 391.471 3.744 0 40 GHAB Cc1ccc(-c2cnn3c(O)cc([C@H](C)n4ncc5ccccc5c4=O)nc23)cc1 100223684 IDRZDCOUOOAFDD-HNNXBMFYSA-N 397.438 3.730 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2csc(C)c2)c2ccccn2)CC1 100750356 GHMDMMCOVWNJKO-QKLQHJQFSA-N 385.533 3.865 0 40 GHAB CCn1c(S)nc2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2c1=O 102167410 LXFGNMWVBJVVEG-QGZVFWFLSA-N 379.485 3.513 0 40 GHAB Cc1ccc(NC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)cc1C(F)(F)F 102762030 HAJRYDOZCNATQL-UHFFFAOYSA-N 393.390 3.802 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(NC(C)=O)c3)o2)cc1 109417442 YXTAYRQQCSOLOA-UHFFFAOYSA-N 379.416 3.880 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1Cl 113969222 VDBAAOPNGNKOHL-INIZCTEOSA-N 387.911 3.806 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)N1CCS[C@H](c2ccccc2)CC1 206987239 GZJKZWIQTMBUBF-IBGZPJMESA-N 389.542 3.557 0 40 GHAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 224159780 RPCKWCDQXWAOBQ-UXHICEINSA-N 378.501 3.707 0 40 GHAB CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224873703 WVCWOTKFHXHVAR-UHFFFAOYSA-N 384.295 3.981 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 225028085 WQUMCVLKDUMNGF-LJQANCHMSA-N 396.531 3.880 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCCCN2CCC(C)CC2)cc1Cl 225437205 QYMFDFKCENMPHW-UHFFFAOYSA-N 397.972 3.925 0 40 GHAB CC(C)Oc1cccc(NC(=S)NCc2ccccc2CN2CCOCC2)c1 225778684 HXFYLRUVJAYCGO-UHFFFAOYSA-N 399.560 3.793 0 40 GHAB COc1cccc(Cc2cnc([C@@]3(C)CCCN(C(=O)C4CCOCC4)C3)o2)c1 257340255 ZFFJSTMSZFPMHJ-QHCPKHFHSA-N 398.503 3.581 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)C(C)C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 260899378 KZPPFAYCHMIPAZ-ABAIWWIYSA-N 395.352 3.699 0 40 GHAB O=C(CSc1n[nH]c(C23CC4CC(CC(C4)C2)C3)n1)N[C@H]1C[C@H]2CC[C@H]1C2 408582683 OWZQXXUFNSLRHI-YKSIXARASA-N 386.565 3.669 0 40 GHAB CCOc1cc(/C=C\C(N)=O)ccc1OCc1ccc(Br)cc1 409416178 LMUZMFYWNZTVLU-POHAHGRESA-N 376.250 3.925 0 40 GHAB Cc1ccc(-c2cnc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[S@]4=O)s2)c(C)c1 529099580 CUDBFUBVKFEMMO-RIDFSIMASA-N 389.546 3.944 0 40 GHAB CC(C)n1cc(C2=CCCN(C(=O)N[C@H]3CCc4c(F)cccc43)CC2)nn1 577264869 SROHRAGJKAREMW-IBGZPJMESA-N 383.471 3.874 0 40 GHAB Cc1cnc(N=c2[nH]ccnc2[C@@H]2CCCN2C(=O)/C=C/c2ccccc2)s1 585293317 ZPZUTRFNAOTYSK-FVNWOWOISA-N 391.500 3.784 0 40 GHAB Cc1cc(NC(=O)c2cncc3nc(C(F)(F)F)n(C)c23)ccc1CN(C)C 616242270 QLRNVCNPYFUCMC-UHFFFAOYSA-N 391.397 3.609 0 40 GHAB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)N1CC[C@@]2(O)C[C@H]2C1 665397642 JPPBFAIVPNGMPI-HRAATJIYSA-N 388.414 3.867 0 40 GHAB C[C]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1 1560405230 XAYUTQOLZJPNCX-UHFFFAOYSA-N 385.451 3.947 0 40 GHAB Cc1ccnn1CCC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615160722 SQBNEDLEUINFDQ-XLIONFOSSA-N 384.499 3.627 0 40 GHAB O=S1(=O)NC(CN2CCCCc3cc(Cl)ccc32)=Nc2ccccc21 1647778033 NKXDIAPLMIXXNF-UHFFFAOYSA-N 375.881 3.505 0 40 GHAB COc1ccc(C(=O)NC[C@@H]2[C@@H](C)C[C@@H]3[C@H]2CC(=O)N3C2CCCCC2)cc1 1775964311 DKIGDLFGGXHIEW-JWOSDPRPSA-N 384.520 3.631 0 40 GHAB biogenic,in-vitro Cn1nc(C2CCN(c3nc4c(Cl)cccc4s3)CC2)n(C2CC2)c1=O 1888913987 PUPSEZXFSRYHSB-UHFFFAOYSA-N 389.912 3.564 0 40 GHAB CN1CCNC[C@H](Cc2cccc(Nc3ncc(-c4ccccc4)s3)n2)C1 2037845740 JCWAEPSZPKEQHO-INIZCTEOSA-N 379.533 3.642 0 40 GHAB COc1cccc(F)c1CN1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037983812 HARYCZGFKGXCMZ-HSZRJFAPSA-N 398.478 3.622 0 40 GHAB COc1ccc(Cc2nn3c(Cc4ccc(F)cc4)nnc3s2)cc1OC 632825 ZINKHZBZSNJCKA-UHFFFAOYSA-N 384.436 3.524 0 40 GHAB COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)O)cc1OC 711219 VLKCLPMMZZBNDW-GOSISDBHSA-N 396.443 3.555 0 40 GHAB Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCCCC3)c(=O)[nH]c12 889213 FHAGOLSVFTUOFJ-FQEVSTJZSA-N 392.507 3.513 0 40 GHAB O=C(CCN1CCCCC1)N1CCc2c([nH]c3ccccc23)[C@H]1c1cccnc1 1622985 QSBRTZBQSHLYRI-XMMPIXPASA-N 388.515 3.913 0 40 GHAB in-vitro CCOC(=O)c1ccc(C(=O)c2cccc(I)c2)cc1 2392607 YVDOJZHGUATIHL-UHFFFAOYSA-N 380.181 3.699 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1 2437856 HYQNPNNKFWHYMH-UHFFFAOYSA-N 396.516 3.903 0 40 GHAB FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc(N2CCNCC2)n1 2554514 LCHLIDHPOAZNDZ-UHFFFAOYSA-N 377.197 3.879 0 40 GHAB O=C(Nc1ccc(F)cc1F)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 2624431 JPOWWRZLGKUJSJ-SFHVURJKSA-N 382.366 3.764 0 40 GHAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2c(s1)CCCC2 3385983 XLDAYSIFOPNGNK-HNNXBMFYSA-N 389.546 3.512 0 40 GHAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)CC1(OCCO1)[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]12 3849969 HVWSAXRIUJFDOY-IGUHIKQPSA-N 390.520 3.883 0 40 GHAB COc1cc(OC)cc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)c1 4033078 OUFRDVWPQVPCOV-UHFFFAOYSA-N 388.427 3.974 0 40 GHAB O=C(Nc1cccc(Br)c1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4374160 NKLZHCHLOVAZEN-AWEZNQCLSA-N 392.228 3.515 0 40 GHAB COC(=O)c1sc(NC(=S)NC(=O)c2cccc3ccccc23)nc1C 4524931 LCSPMQIBQSANCV-UHFFFAOYSA-N 385.470 3.518 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)Nc3nnc(C(C)C)s3)CC2=O)cc1Cl 4975656 OIAMFFOQKVANGN-LLVKDONJSA-N 378.885 3.615 0 40 GHAB Cc1c(Cl)ccc2sc(NC(=O)CS(=O)(=O)c3ccccc3)nc12 5190080 GTBFHRFIGHJUEN-UHFFFAOYSA-N 380.878 3.671 0 40 GHAB CCN(CC)P(=NC(=S)N1CCOCC1)(c1ccccc1)N(CC)CC 5259379 JTNXJJBEADRJDA-UHFFFAOYSA-N 396.541 3.644 0 40 GHAB Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccccc2)N(CCCO)C3=O)cc1Cl 5341585 MYARCDYAJVOZKI-HXUWFJFHSA-N 397.862 3.672 0 40 GHAB C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCc2ccccc2C1 5981210 FPVOUTMKWHYRQA-CYBMUJFWSA-N 377.362 3.836 0 40 GHAB C[C@@H](C(=O)N1CCCC1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 6043764 DXCOVXIXSICLHC-KSFYIVLOSA-N 387.483 3.734 0 40 GHAB O=C1CCCN1c1cccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 7726768 QDRZFGMAWBZZSK-ZRDIBKRKSA-N 376.865 3.879 0 40 GHAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Br)cc2)CC1=O 7882123 LLPPEXVAIWLYJS-DZGCQCFKSA-N 387.277 3.997 0 40 GHAB O=C(Nc1ccccc1)C1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 7954989 XJWXSDUIISFKNF-QGZVFWFLSA-N 398.890 3.768 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1 8140100 IDLGZBOWWCADJF-UHFFFAOYSA-N 380.879 3.797 0 40 GHAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(CSc2ncn[nH]2)cc1 8555487 IHZQGYBXPBSQLM-UHFFFAOYSA-N 397.456 3.665 0 40 GHAB Cc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)o1 8845474 GDABTOVJUWLAOA-OAQYLSRUSA-N 386.411 3.824 0 40 GHAB O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)N1CCCCCC1 8865051 NDZOMCMCLYCYHU-UHFFFAOYSA-N 396.512 3.877 0 40 GHAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccccc1F 8901185 RBOSZUHRRVJJRV-KRWDZBQOSA-N 382.526 3.783 0 40 GHAB Cn1cnnc1Sc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 8943030 SBHJRPPMJTYSKY-UHFFFAOYSA-N 376.388 3.820 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(OC)c1 9137729 LVRWZLXBPIVWEA-UHFFFAOYSA-N 382.460 3.891 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H]1c1nc2ccccc2s1 9867806 CHRKZUYOOMBISA-HNNXBMFYSA-N 379.441 3.568 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900668 AEFFIEOELBIEIS-ZHRRBRCNSA-N 389.499 3.897 0 40 GHAB CCCn1c(NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)nc2ccccc21 9915547 HXDDCDXADXPAIB-UHFFFAOYSA-N 389.459 3.876 0 40 GHAB O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc3ccccc3c2O)CC1 9980595 JZDKTLPUZPDKPQ-UHFFFAOYSA-N 388.467 3.714 0 40 GHAB CNc1nc(N2CCN(c3cccc(Cl)c3)CC2)nc2c1C(=O)CC(C)(C)C2 10157657 UQJNRDKXSMMOTI-UHFFFAOYSA-N 399.926 3.653 0 40 GHAB CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 10475785 XTMFSRWNPCTGEQ-OEAKJJBVSA-N 392.411 3.736 0 40 GHAB C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(C)(=O)=O)cc1 10966254 DCUAKOOYNYCCLM-CQSZACIVSA-N 396.512 3.941 0 40 GHAB CCC(CC)(CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)O 11163668 TZRWNZASFZAZGZ-UHFFFAOYSA-N 384.480 3.891 0 40 GHAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)on1 12118434 QKRGWMJFTQKCMY-AWEZNQCLSA-N 383.477 3.533 0 40 GHAB Cc1cc2nc(C3CCN(Cc4ccccn4)CC3)cc(C(F)(F)F)n2n1 12223108 XVSPPVCWGREOHM-UHFFFAOYSA-N 375.398 3.831 0 40 GHAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)sc(=S)n1Cc1ccccc1 12416073 DZBVFSYIXKCVHJ-UHFFFAOYSA-N 399.497 3.568 0 40 GHAB O=C(Nc1ccccc1C(=O)NCCc1cn2ccccc2n1)c1cccs1 12520110 MASWURYILRZBFD-UHFFFAOYSA-N 390.468 3.621 0 40 GHAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)[C@@H]1CC(=O)N(c2ccccc2)C1 12636475 IIZCWTKVCLELMJ-OAHLLOKOSA-N 395.846 3.664 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(S(C)(=O)=O)cc2)cc1 12940692 NPNLAKGHAZCIQP-FQEVSTJZSA-N 387.501 3.856 0 40 GHAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12988576 MIQRDNLGSQUUPC-ZDUSSCGKSA-N 398.834 3.502 0 40 GHAB O=C(NCCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccsc1 12997144 UALBXLLOEOBERR-CQSZACIVSA-N 399.541 3.884 0 40 GHAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc21 13610225 VJFZIOODSJUVDO-UHFFFAOYSA-N 398.406 3.670 0 40 GHAB CCCOc1ccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1OCCC 14168386 DZXSIHLXFNZSSL-UHFFFAOYSA-N 381.436 3.697 0 40 GHAB COc1cc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc(OC)c1 15580960 YGUILJRESNRWJV-UHFFFAOYSA-N 386.448 3.981 0 40 GHAB O=C(OCc1cc(=O)n2nc(-c3cccs3)sc2n1)C1CCCCC1 15734184 YNBQCHWLHMJHOV-UHFFFAOYSA-N 375.475 3.503 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1CCO 16752675 GEFZHGGIOQRVSL-MRXNPFEDSA-N 390.222 3.637 0 40 GHAB CC(C)(C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)n1cncn1 19080960 MGAJTFXRRXNCEV-UHFFFAOYSA-N 395.410 3.718 0 40 GHAB NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)C2CCC2)C1 19331529 KALPGOTYNDQNQJ-JOCHJYFZSA-N 382.529 3.852 0 40 GHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(CC2CC2)C1 19528733 LKXMRRUAZXDBAX-DEOSSOPVSA-N 377.532 3.919 0 40 GHAB CC[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O 20745291 BJVVBIQAQZFOOI-CQSZACIVSA-N 389.455 3.535 0 40 GHAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCc1c(F)c(F)c(F)c(F)c1F 21330433 KQOUDMXWNICMRC-KPKJPENVSA-N 385.288 3.603 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCCO4)c(C)c2)CC1 25044092 YWQLRFFBRGPKFZ-UHFFFAOYSA-N 395.503 3.551 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 25470747 AXEUNTBDQAKQBC-UHFFFAOYSA-N 392.329 3.877 0 40 GHAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(Br)cc3)n2)cc1 27745023 LLCDVSAEJCEMGZ-UHFFFAOYSA-N 384.233 3.556 0 40 GHAB O=C1OCCN1c1cccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 31720001 HKKIGQQALGVKBE-DHZHZOJOSA-N 378.837 3.709 0 40 GHAB CCc1cccc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)c1 32586492 UEVRQTZMVCDOMK-UHFFFAOYSA-N 390.280 3.572 0 40 GHAB O=C(COc1ccc(Cl)cc1-n1cnnc1)Nc1ccc(C(F)(F)F)cc1 32646768 MERWZYDHEZPALE-UHFFFAOYSA-N 396.756 3.957 0 40 GHAB Cc1cc(C)n2ncc(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)c2n1 32795227 ZHXOXLPWUDRXNT-GOSISDBHSA-N 397.548 3.611 0 40 GHAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 32910431 RWGMKRXBRIEBQR-NEPJUHHUSA-N 385.441 3.556 0 40 GHAB O=C(Nc1ccc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1)c1ccco1 33164421 HQYLMMOKUCLBOQ-LJQANCHMSA-N 393.374 3.803 0 40 GHAB COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3C)n2)cn1 35425224 JJACIXQFTRPFTK-IBGZPJMESA-N 393.491 3.835 0 40 GHAB biogenic,in-vitro CC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 36107391 ZJVLPVTXIDABCG-DNVCBOLYSA-N 392.496 3.556 0 40 GHAB CC1CCN(CCCCNC(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 40113349 GYJBNRAHTSUSBL-UHFFFAOYSA-N 380.536 3.992 0 40 GHAB C[C@@H]1CCCC[C@@H]1n1ccc2nc3ncnn3c(-c3ccc(F)cc3)c2c1=O 40398300 KLIWHYQEDZDSGH-DYVFJYSZSA-N 377.423 3.997 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(C)(C)C)nn1CCO 42384524 JNWUMCDFAQRJDR-UHFFFAOYSA-N 379.888 3.622 0 40 GHAB O=C([C@H]1CCCN(c2cnccn2)C1)N(Cc1ccco1)Cc1cccs1 45714324 VDYZESMPQIVUNZ-INIZCTEOSA-N 382.489 3.577 0 40 GHAB COc1ccc([C@H](CNC(=O)c2cnsn2)c2c[nH]c3ccccc23)cc1 47816270 MQVNQJDGGGOGSY-INIZCTEOSA-N 378.457 3.590 0 40 GHAB Cc1nc(-c2c[nH]c(C(=O)N[C@H](CN3CCCC3=O)c3ccccc3)c2)cs1 48956975 IKFZLMMQLKULNU-GOSISDBHSA-N 394.500 3.540 0 40 GHAB COc1ccc([C@H]2CCCCCN2CN2C(=O)NC3(CCCCC3)C2=O)cc1 58160788 QBJWZVKDMFOPFJ-LJQANCHMSA-N 385.508 3.825 0 40 GHAB Cc1ccnc(NC(=O)C2CCN(Cc3ccc(F)c4cccnc34)CC2)c1 58175064 CRQZVYJDSXXPAR-UHFFFAOYSA-N 378.451 3.928 0 40 GHAB Cc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccccc2Cl)N2CCCC2)o1 58227720 JKAFOLNSLIGFBJ-NVXWUHKLSA-N 376.884 3.962 0 40 GHAB O=S(=O)(c1ccc(Cl)nc1Cl)N(Cc1ccco1)Cc1ccco1 58345141 SGPJSCGVCCSPJY-UHFFFAOYSA-N 387.244 3.966 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 62233566 ORRTUOBHWIOJAZ-UHFFFAOYSA-N 386.496 3.585 0 40 GHAB Cc1noc([C@H](C)NC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)n1 65548583 ZSYSKXIHEVXFSS-LBPRGKRZSA-N 383.427 3.598 0 40 GHAB O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1Cc1cccc(F)c1 67257936 KPZRYJVNUCYCEY-UHFFFAOYSA-N 399.223 3.532 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)c1[nH]nnc1Nc1cccc(Cl)c1 67284103 WBJYNWPRHVDNFW-UHFFFAOYSA-N 376.247 3.828 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 69371894 IYBQTKVPVQXRCG-IXDOHACOSA-N 378.513 3.635 0 40 GHAB COCCOCC(=O)N(C1CCC(C)CC1)[C@@H](C)c1ccc(OC)cc1OC 72283494 WVTDPTOGVPJJSB-ADKAHSJRSA-N 393.524 3.835 0 40 GHAB CCc1nncn1CCNC(=O)c1ccccc1OCc1ccccc1Cl 72293029 CKWAPWZEZONHPX-UHFFFAOYSA-N 384.867 3.503 0 40 GHAB COc1cc(C(=O)N2CCN(c3ccc(C)cc3)CC2)nc2c(C)cc(F)cc12 72328805 NLQZGXUURAJCQA-UHFFFAOYSA-N 393.462 3.962 0 40 GHAB O=C(COC(=O)c1cc(Cl)ccc1F)NCc1ccccc1C(F)(F)F 72333981 DYNOLVPVHNLEEJ-UHFFFAOYSA-N 389.732 3.971 0 40 GHAB CCn1ccnc1CN1CCC[C@@H](c2cncc(Oc3ccccc3OC)n2)C1 72363223 GALJSVSJUFAVGG-QGZVFWFLSA-N 393.491 3.874 0 40 GHAB COc1ccc(CN2C[C@@H](N(C)C)[C@H](c3cn(C)c4ccc(OC)cc34)C2)cc1 72395534 KQGBJEMHMPFKIK-LADGPHEKSA-N 393.531 3.725 0 40 GHAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccnc4ccccc34)C[C@@H]12 72395850 CDWYQZUYSWXARI-RDGATRHJSA-N 399.494 3.784 0 40 GHAB COc1cccc(CC(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)c1 77184104 HWWKNLVDDDUGQX-DEOSSOPVSA-N 375.468 3.929 0 40 GHAB CC(C)(C)c1csc2ncc(C(=O)Nc3nc4c(s3)CCCC4)c(=O)n12 79475688 YYTGFOJIZYWIGD-UHFFFAOYSA-N 388.518 3.641 0 40 GHAB Cc1nn(C)c(C)c1[C@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCC1 79480475 LDTDWNMMCIWODX-MRXNPFEDSA-N 375.498 3.868 0 40 GHAB COc1ccc2ccccc2c1CNC(=O)c1nc(N2CCCC2)ncc1Cl 83970425 QMRRLSWDNPSQTL-UHFFFAOYSA-N 396.878 3.822 0 40 GHAB COc1ccc(CN2CCCN(Cc3csc(C)n3)CC2)cc1SC 95453838 UKOJPZMYEPYTBO-UHFFFAOYSA-N 377.579 3.890 0 40 GHAB Cc1nc(CNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)ccc1[C@@H](C)O 95455223 QYJOPLDPPWWBSE-GFCCVEGCSA-N 389.381 3.926 0 40 GHAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)c1 95948375 OPVBIHILWYTGMV-HNNXBMFYSA-N 390.443 3.769 0 40 GHAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)c3ccsc3)CC2)Oc2ccccc21 96053174 GXFNVRBTHBWDST-KRWDZBQOSA-N 398.528 3.768 0 40 GHAB O=C(C[C@@H]1CC2(CCN(C(=O)CC3CC3)CC2)Oc2ccccc21)NC1CCC1 96243155 LVVDOEZSHDHPFT-GOSISDBHSA-N 396.531 3.773 0 40 GHAB CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc3ccccc23)CC1 97595293 SFPVZQWDPAWYFJ-UHFFFAOYSA-N 381.564 3.756 0 40 GHAB Cn1ccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1ccccc1OC1CCCC1)C2 100150108 PNBWHCQHNMFUBS-PMACEKPBSA-N 395.547 3.861 0 40 GHAB COc1ccc(N(C)C(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)cn1 108165065 MWBLIKJCGLPHPM-UHFFFAOYSA-N 376.460 3.740 0 40 GHAB Cc1ccccc1N(CCCC(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O 113966673 QQYBUWMPJDZQRA-UHFFFAOYSA-N 394.924 3.511 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)c3ccccc3OC(C)C)n2)c1 219746971 MAOPNPAJVSJUDQ-UHFFFAOYSA-N 381.432 3.805 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1 220117730 CSZJUGYJTDPVDH-INIZCTEOSA-N 382.485 3.941 0 40 GHAB Cc1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1Cl 222493081 IJVXGCKMBFKNNI-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 223349003 WMXALRUOZKETKL-FCHUYYIVSA-N 394.515 3.708 0 40 GHAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)cc1 223903971 KQLAEHUETWEIHV-WOJBJXKFSA-N 377.517 3.663 0 40 GHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 224052227 AGSORZJOXWQQGO-GOSISDBHSA-N 384.545 3.765 0 40 GHAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)c1 224526016 QQBPYIXDTPWZFP-WOJBJXKFSA-N 378.501 3.914 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C 224973562 HHNNZAWHEXXYOL-OALUTQOASA-N 382.504 3.706 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1F 225200257 MZBZBRHVERISHJ-MRXNPFEDSA-N 388.458 3.841 0 40 GHAB Cc1ccc(-c2noc(CNC(=O)Cc3cccc(Br)c3)n2)cc1 225623504 VVHPFIMMAKGLOV-UHFFFAOYSA-N 386.249 3.666 0 40 GHAB CCCCC(=O)NC(=S)Nc1cc(/C=C/C(=O)O)ccc1Br 226356795 VHLPAGZHQFFAPR-SOFGYWHQSA-N 385.283 3.550 0 40 GHAB CNC(=O)c1sc2nccnc2c1C1CCN(Cc2ccccc2F)CC1 257200903 AFHMANUZFXAULU-UHFFFAOYSA-N 384.480 3.570 0 40 GHAB O=C(O)c1cnc(NCCOc2ccc(F)cc2)nc1CCc1ccccc1 257280344 OKMBEXHQYPTQOE-UHFFFAOYSA-N 381.407 3.590 0 40 GHAB CC(=O)N1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3F)c2)C1 257284613 PDMIYXWTYFVKLQ-QGZVFWFLSA-N 379.439 3.559 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)[C@@H]3CCCC[C@H]32)cc1 257367429 QHIHZQMSMBVNSQ-GNDPMSABSA-N 398.547 3.731 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1OC 408697657 KOMHVXTXASAZOI-UHFFFAOYSA-N 386.832 3.637 0 40 GHAB CC(C)C1=NN(C(=O)c2ccccc2Br)[C@](O)(C(F)(F)F)C1 409061946 KJRSDQIJYQWWKT-CYBMUJFWSA-N 379.176 3.558 0 40 GHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](Oc2ccccc2)C1 500106504 CWWPHXXWPAZFJH-MRXNPFEDSA-N 385.407 3.938 0 40 GHAB C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4ncccc4Cl)CC3)cc2NC1=O 528419338 ZFEVBCOKDXCCAO-CYBMUJFWSA-N 399.878 3.549 0 40 GHAB CC[C@H](NC(=O)N1CCCN(c2ccccc2F)CC1)c1c(C)nn(C)c1C 553972358 RRBLRDMKRHHOCK-SFHVURJKSA-N 387.503 3.549 0 40 GHAB CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 585085595 QZHZZKBLZPFLND-ZDUSSCGKSA-N 383.370 3.537 0 40 GHAB O=C(NC[C@@H](O)c1csc2ccccc12)C1(c2ccccc2)CCOCC1 585148011 IPSBLODAYIETFS-LJQANCHMSA-N 381.497 3.799 0 40 GHAB Cc1ccc([C@H]2CN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CCO2)cc1 585259731 NKOIFZSHHGBGDQ-GOSISDBHSA-N 399.434 3.917 0 40 GHAB CC(=O)N1CCN(Cc2scnc2C)C[C@@H](Cc2ccc3ncccc3c2)C1 2037845533 ADUVKKSPVIATAK-LJQANCHMSA-N 394.544 3.523 0 40 GHAB Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@@H]2CCCO2)c1 790290 BQEJUYARYRSTHF-NRFANRHFSA-N 390.483 3.966 0 40 GHAB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2)CC1 804943 QYJIPGVDPHDEQI-UHFFFAOYSA-N 385.895 3.959 0 40 GHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1ccccc1 1223912 LDLIJADEGFHZDZ-UHFFFAOYSA-N 391.452 3.769 0 40 GHAB CC(C)c1nc2ccccc2c2nnc(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)n12 1327782 WCWZTDRXMVLPMA-GASCZTMLSA-N 397.548 3.998 0 40 GHAB Cc1cc2nnc(SCC(=O)c3ccc4c(c3)OCO4)n2c2ccccc12 1465436 FTSNGAKWUYZQIY-UHFFFAOYSA-N 377.425 3.895 0 40 GHAB COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(OCc2ccccc2)cc1 1467265 RTQHBTQXCGPEHF-IBGZPJMESA-N 382.485 3.574 0 40 GHAB CCOC(=O)c1c(N)n(-c2ccccc2OCC)c2nc3ccccc3nc12 2230387 QDEPTTSTKRLEFF-UHFFFAOYSA-N 376.416 3.731 0 40 GHAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccc(Cl)cn1 2649374 AYMCXQWVIQBRDM-UHFFFAOYSA-N 394.814 3.762 0 40 GHAB COc1cc(OC)c(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC 3362176 PCHANUMOSNSNID-NSHDSACASA-N 393.823 3.550 0 40 GHAB CSc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 3474347 CYJBLYKLFZXLLO-JTQLQIEISA-N 393.848 3.975 0 40 GHAB COc1ccccc1NC(=O)CNc1ccc(I)cc1C 3487021 IHEUPNXAAZLGKX-UHFFFAOYSA-N 396.228 3.659 0 40 GHAB CCCC[C@@H](Sc1ccc2nnc(-c3ccc(OCC)cc3)n2n1)C(=O)O 4165129 FTZIKNQBFYEECS-OAHLLOKOSA-N 386.477 3.926 0 40 GHAB COc1ccc(Cn2ccnc2SCC(=O)Nc2ccc(C(C)=O)cc2)cc1 4248791 LKMPVYMCMXFUSP-UHFFFAOYSA-N 395.484 3.873 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)O[C@H]1CCCCC1=O 5233320 XNIKTQVCFXMUDT-HOTGVXAUSA-N 386.275 3.803 0 40 GHAB O=C1Cc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc2N1 5252807 YALAJLZSWHULJG-UHFFFAOYSA-N 380.425 3.774 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 6233925 XWVIJGNIAJCPTR-UHFFFAOYSA-N 385.272 3.899 0 40 GHAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cs1 6680883 KNJMYHAICBFXDL-CYBMUJFWSA-N 378.519 3.729 0 40 GHAB O=C1CCc2cc(S(=O)(=O)Nc3ccccc3SC(F)F)ccc2N1 7423243 RIQJGXJPSWLAIL-UHFFFAOYSA-N 384.429 3.687 0 40 GHAB CC(C)CCNc1nc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cs1 7503756 CYOZDERJXIVOHY-QGZVFWFLSA-N 387.505 3.778 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](Sc2cccc[n+]2[O-])c2ccccc2)c1 7507269 WEDYXFDHUQQISR-HXUWFJFHSA-N 378.453 3.995 0 40 GHAB Cc1ccccc1-n1nnnc1SCC(=O)N(C)[C@H]1CCCc2ccccc21 7587497 SRQKQCOQVDYYRZ-IBGZPJMESA-N 393.516 3.599 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 8006686 XDXWCMZCNJARHI-QGZVFWFLSA-N 393.468 3.690 0 40 GHAB CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@](CC)(c2ccccc2)C1=O 8328281 KSYCIQOOINJVCT-JOCHJYFZSA-N 380.444 3.645 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)o1 8571630 XNKPXKQRXZWPRB-ZFWWWQNUSA-N 375.494 3.744 0 40 GHAB CCOC(=O)c1c(NC(=O)CNc2ccc(F)cc2C)sc(C(C)=O)c1C 8940747 AJAHWFFELQXEDH-UHFFFAOYSA-N 392.452 3.934 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2oc3ccccc3c2C)cc1 9457077 LFPQAJYELMJTOH-ZDUSSCGKSA-N 380.400 3.884 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 10429766 CTYPJXFCMGXCAK-FQEVSTJZSA-N 383.467 3.819 0 40 GHAB O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCN(c2nccs2)CC1 10669679 BVSBYUJMHMTYSL-UHFFFAOYSA-N 390.468 3.914 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 11149965 NWBDYOUCJMJPPF-UHFFFAOYSA-N 394.471 3.604 0 40 GHAB CC[C@H](C(=O)Nc1ccc(F)cc1)N(C)Cc1ccccc1N1CCOCC1 11193566 GRDSWZUINXQTGQ-HXUWFJFHSA-N 385.483 3.511 0 40 GHAB CCCCOc1cc(C)ccc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1 11565855 CRIPKGLZAPUCNS-UHFFFAOYSA-N 382.570 3.761 0 40 GHAB COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCc2c(C)noc2C)cc1 12145673 VNCFQISAZBWUMM-FQEVSTJZSA-N 394.475 3.612 0 40 GHAB COc1ccccc1[C@]1(O)CCCN(C(=O)c2[nH]nc(-c3ccccc3)c2C)C1 12147530 AJRJHXYMMJESFG-QHCPKHFHSA-N 391.471 3.518 0 40 GHAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCc3sccc3C2)cc1 12216124 HWHIOHUEMAWODQ-UHFFFAOYSA-N 384.530 3.953 0 40 GHAB COc1ccc(CN2CCC(O)(c3ccc(C)cc3)CC2)cc1Cn1cccn1 12292802 FXCZFWXPRHADDL-UHFFFAOYSA-N 391.515 3.732 0 40 GHAB Cc1ccc(S(=O)(=O)NNc2ncc(C(F)(F)F)cc2Cl)c(C)c1 12814522 MDIDRJCJHFDUPC-UHFFFAOYSA-N 379.791 3.676 0 40 GHAB COc1ccc(CC(=O)NCCCO[C@@H](C)c2ccccc2)c(OC)c1OC 12857530 APWRDBFVVAAVED-INIZCTEOSA-N 387.476 3.539 0 40 GHAB COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 13096699 MBAFMKDTLFUWDA-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB COc1ccc([C@H]2c3c(C)n[nH]c3C(=O)N2CCc2c[nH]c3ccccc23)cc1 13549460 QCNKPPRRJHXHEO-QFIPXVFZSA-N 386.455 3.996 0 40 GHAB Cc1noc2nc(-c3cccs3)cc(C(=O)NC3C[C@@H]4CC[C@H](C3)N4C)c12 13642217 QZTYVVZFPSTEMW-AGUYFDCRSA-N 382.489 3.615 0 40 GHAB CCOc1ccccc1NC(=O)CC[C@@H]1N=C(O)N([C@@H](C)c2ccccc2)C1=O 13681285 BXOBVZDAZVGVAV-YJBOKZPZSA-N 395.459 3.690 0 40 GHAB COc1ccc(NC(=O)[C@@H](Sc2nnnn2C(C)C)c2ccccc2)cc1 16556450 KGPPWFATTJEWHO-KRWDZBQOSA-N 383.477 3.735 0 40 GHAB Cc1n[nH]c2nc3nc4c(c(-c5ccc(F)cc5)c3c(=O)n12)CCc1ccccc1-4 17117756 DMBWKDILHZVKDQ-UHFFFAOYSA-N 397.413 3.846 0 40 GHAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1csc(-c2ccccc2)n1 17984510 BEXLZSDLACCFPY-UHFFFAOYSA-N 379.393 3.979 0 40 GHAB CCCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccncc1 18262236 XVXVBPWMZQIUBI-ZDUSSCGKSA-N 392.488 3.840 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc2ccccc2c1C=O 18768473 CCIBHZOLOSSVAG-OAHLLOKOSA-N 388.423 3.795 0 40 GHAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C/C(C)=C/c2ccccc2)C3)C1 19014422 PUVBLLONDPUBOJ-DILWRCETSA-N 390.531 3.664 0 40 GHAB COc1cccc(CN2CCCC[C@@H]2c2cc(O)nc(-c3ccccn3)n2)c1 19565221 KDBHYXYYMMXAKC-HXUWFJFHSA-N 376.460 3.980 0 40 GHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)C2CC2)C1 19591010 FWHYTGYWAZIKFD-XMMPIXPASA-N 376.500 3.661 0 40 GHAB C[C@@H](NC(=O)[C@@H](C)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 22790171 CFQZUFSGKYLOHN-LGQHIAMJSA-N 377.532 3.583 0 40 GHAB C[C@H](OC[C@@H](O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccc(Cl)cc1 23401214 BYCCZDKUKJOPKR-BBRMVZONSA-N 398.846 3.935 0 40 GHAB COc1ccccc1CCNC(=O)Cc1csc(COc2ccc(C)cc2)n1 24465283 OKBOVHRPRPBRNB-UHFFFAOYSA-N 396.512 3.941 0 40 GHAB COc1ccccc1N1C[C@@H](C(=O)N(C)[C@H]2CCCc3ccccc32)CC1=O 24761590 TXNLNUXQHHXEDI-HKUYNNGSSA-N 378.472 3.584 0 40 GHAB COc1ccc(-c2nc(CCNC(=O)COc3ccccc3OC)cs2)cc1 27993623 FQVOVAUUKOIDHH-UHFFFAOYSA-N 398.484 3.565 0 40 GHAB Cc1nn(Cc2ccc(C(=O)NCc3ccccc3)o2)c(C)c1Br 28576571 YYDSDPKPALWENX-UHFFFAOYSA-N 388.265 3.834 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1C 30332393 BVBYSCVIHXVSQN-UHFFFAOYSA-N 394.924 3.558 0 40 GHAB CCOC(=O)COc1cccc(NC(=O)/C=C/c2ccc(Br)o2)c1 32035032 YQTUTCPGMLNVPC-VQHVLOKHSA-N 394.221 3.636 0 40 GHAB CC(C)c1noc(-c2ccc(OCC(=O)NCc3ccc(F)cc3F)cc2)n1 32578892 KDKZKPHUGOKTNI-UHFFFAOYSA-N 387.386 3.833 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCc2ccccc21 32755257 MVYRRRTWLGZEGH-FQEVSTJZSA-N 384.501 3.530 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 32802424 QALCKPJLVVLTNT-UZLBHIALSA-N 380.467 3.969 0 40 GHAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(OCc2cscn2)cc1 36408768 IWXIIDRZLJFBEW-UHFFFAOYSA-N 380.473 3.970 0 40 GHAB CC(=O)Nc1ccc(C(=O)N2CCC(Cn3c(C)nc4ccccc43)CC2)cc1 38533865 LCOTYSBLFFXARX-UHFFFAOYSA-N 390.487 3.856 0 40 GHAB Cn1cccc1[C@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)N1CCOCC1 38676209 KEAVUAVFMPTMKF-KRWDZBQOSA-N 397.306 3.527 0 40 GHAB Cc1nc(C)c(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)s1 38908037 UYOSYIFYWXLWAB-UHFFFAOYSA-N 398.557 3.841 0 40 GHAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC[C@H]1c1ccncc1 40050718 NYVYPTKNDTUALT-IBGZPJMESA-N 376.460 3.803 0 40 GHAB CC(C)c1noc(CCC(=O)NCc2cccnc2Oc2cccc(F)c2)n1 40094422 DSUCTOVOWKRBAH-UHFFFAOYSA-N 384.411 3.768 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1 40107092 VBFOHDAFQBMYJY-UHFFFAOYSA-N 386.404 3.669 0 40 GHAB O=C(NC1CCN(CCCc2nc3ccccc3o2)CC1)c1ccc(F)cc1 40155761 QXUHHPJMZKOZSN-UHFFFAOYSA-N 381.451 3.794 0 40 GHAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 40156353 YYWHBSLTSMNMOD-AWEZNQCLSA-N 394.500 3.705 0 40 GHAB O=C(OCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1cc(F)cc(F)c1 40161683 LFVJPDTVCZMQGZ-UHFFFAOYSA-N 384.260 3.577 0 40 GHAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(C)cc2)cc1 41157124 KPMSSDVZXYXWKK-QFIPXVFZSA-N 388.467 3.983 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c(Br)c1 42646399 HYMQALZCUGYCPC-UHFFFAOYSA-N 381.657 3.666 0 40 GHAB CCSc1ccccc1NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 44838701 CMGPKIFBIUZDJU-AWEZNQCLSA-N 378.519 3.592 0 40 GHAB O=C(c1cnn(-c2ccc(OC(F)(F)F)cc2)c1-n1cccc1)N1CCCC1 44893073 RLRJTRAKUPQXJF-UHFFFAOYSA-N 390.365 3.798 0 40 GHAB CNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2F)cc1 46565552 PEUCWWASAYPKDU-UHFFFAOYSA-N 384.432 3.653 0 40 GHAB CCCCNC(=O)c1sccc1S(=O)(=O)N(C)c1ccc(OCC)cc1 48991144 WDOVARZBMUYWTA-UHFFFAOYSA-N 396.534 3.502 0 40 GHAB C[C@H]1CN(c2ccccc2NC(=O)c2cc3ccccc3oc2=O)C[C@H](C)O1 55681909 VFIPPUJUAMYAIE-GJZGRUSLSA-N 378.428 3.659 0 40 GHAB CC(=O)c1ccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 57645472 XSGYOADRMDBBJK-UHFFFAOYSA-N 396.878 3.915 0 40 GHAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2Cl)o1 58391663 NCTHJDWZBLZNCR-GXSJLCMTSA-N 375.277 3.926 0 40 GHAB O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)/C=C/c2c(F)cccc2F)C1 65575761 KXMNRNHWBPLVSU-AYJWMTRPSA-N 376.447 3.666 0 40 GHAB CCC(=O)N1CCC[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC)C1 72391537 YZTXIRQBWXTLTM-HSZRJFAPSA-N 382.479 3.800 0 40 GHAB O=C(CN1CCCCCC1=O)Nc1ccc(Oc2cccc3[nH]ccc23)nc1 72406238 SOGQEJFMFLHJLE-UHFFFAOYSA-N 378.432 3.696 0 40 GHAB Cc1occc1C(=O)NCC(=O)N(Cc1ccccc1)Cc1ccccc1F 78993829 VEZPWQLOTVNCFH-UHFFFAOYSA-N 380.419 3.686 0 40 GHAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 89420096 VMTFKDUQTGFHSD-YPMHNXCESA-N 393.846 3.913 0 40 GHAB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N/N=C/c1ccccc1 89821563 VQWLPUFTPGDTKJ-XSFVSMFZSA-N 396.428 3.842 0 40 GHAB CC1(C)C[C@H](NC(=O)c2cc(-c3ccc(Br)s3)[nH]n2)CCO1 95473688 DFLBVUXAPXIYAZ-SECBINFHSA-N 384.299 3.588 0 40 GHAB COc1ccc2cc([C@@H]3SCC(O)=Nc4c3cnn4C(C)C)c(=O)[nH]c2c1 95474617 QTLWDVOSDHQRDG-KRWDZBQOSA-N 384.461 3.738 0 40 GHAB O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cnn(-c2ccccc2)c1Br 96007113 QJQFDNIRYGZXLQ-DOTOQJQBSA-N 382.261 3.921 0 40 GHAB C[C@@H](O)CNCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 96318714 VJBVAAZINFMTJD-QGZVFWFLSA-N 382.479 3.618 0 40 GHAB CCCn1c(=O)c(C(=O)Nc2nc3ccccc3s2)c(O)c2ccccc21 100498562 RCOBBSHPDHOQCW-UHFFFAOYSA-N 379.441 3.979 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101420567 JJCQAOSVQPOVIA-LSOMNZGLSA-N 392.842 3.904 0 40 GHAB CCCCN1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccccc3)[C@H]2C1=O 102219154 RJSQHGJCDADIRW-CEXWTWQISA-N 384.863 3.987 0 40 GHAB CC(C)Oc1cccc([C@@H](O)CN[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c1 108369880 HRDMPXCLXJXOKI-GJYPPUQNSA-N 380.529 3.789 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220528423 ZORMTXPOOIPUCN-HKUYNNGSSA-N 388.533 3.725 0 40 GHAB Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1N(C)S(C)(=O)=O 222472118 BVPFBOYIXBGKSB-UHFFFAOYSA-N 386.395 3.662 0 40 GHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 224082806 QQLMLEFUDLVVGI-HXUWFJFHSA-N 396.531 3.587 0 40 GHAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1C 224551788 UHYPUDFCSKELRQ-UHFFFAOYSA-N 384.495 3.850 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 224618166 FAWCBBWTTRYWLO-QFIPXVFZSA-N 380.532 3.914 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccccc3)s2)c(OC)c1OC 225330486 FUSJGPIUNWPDEA-ZRDIBKRKSA-N 397.456 3.883 0 40 GHAB COc1ccc(-c2noc(CNC(=O)C3(c4ccccc4)CCCC3)n2)cc1 225472240 WUTRAGBMNLNIFL-UHFFFAOYSA-N 377.444 3.873 0 40 GHAB COC(=O)c1cccc(NC(=S)NCc2ccc(OC(C)C)c(OC)c2)c1 225531668 WXUOWSVOEMDSBY-UHFFFAOYSA-N 388.489 3.756 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1ccccc1Nc1nc(C)cc(C)n1 225917992 SZMNYGDGEBPGKQ-UHFFFAOYSA-N 376.416 3.876 0 40 GHAB CC(C)Oc1ccc(N2C[C@@H](C(=O)NCCCc3ccccc3)CC2=O)cc1 243546468 OHUJGEKHGKJSCG-IBGZPJMESA-N 380.488 3.576 0 40 GHAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 244178195 VHONJNYTAXAETM-UHFFFAOYSA-N 393.679 3.564 0 40 GHAB Cn1nc(-c2ccccc2)cc1C(=O)N1CC[C@@H](Oc2cccc3cccnc23)C1 252509357 YLYARZFGDYBRJE-LJQANCHMSA-N 398.466 3.929 0 40 GHAB Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ccc(F)cc3)CCO2)n1 257222221 DSKYHEJEHLKILM-IBGZPJMESA-N 381.407 3.706 0 40 GHAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(OC)c(O)c(OC)c3)N21 260763017 IALOODGXRPQBSF-BVGQSLNGSA-N 385.489 3.784 0 40 GHAB O=C(NCCCCc1ccccc1)C(=O)Nc1ccccc1Br 408707204 LBMAIGYKQQNLEM-UHFFFAOYSA-N 375.266 3.527 0 40 GHAB O=C(Nc1ccnc(Oc2ccccc2Cl)c1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 515369336 ZAHRGPVADICDCC-XJNFMUPTSA-N 383.835 3.944 0 40 GHAB Cc1nc2cccc(-c3noc(CCn4c(=O)oc5cc(Cl)ccc54)n3)c2[nH]1 559983145 BCLYVMOIBBPDQL-UHFFFAOYSA-N 395.806 3.725 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](Oc2nc(C)cc(C)n2)C1 585339732 FQGATGAAPDPLIO-OAHLLOKOSA-N 390.871 3.831 0 40 GHAB CC(C)Oc1ccc(C(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)cc1 585406470 CLHGNXIPWKSRSB-JOCHJYFZSA-N 375.472 3.995 0 40 GHAB COC(=O)c1c(NC(=O)c2ccccc2)c2cc(N)ccc2n1Cc1ccco1 601014366 FEIHQDHPHPBOHH-UHFFFAOYSA-N 389.411 3.904 0 40 GHAB NCCC1CCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 653256598 ICPSBGDPUIMHRT-UHFFFAOYSA-N 397.466 3.959 0 40 GHAB CCOc1ccccc1CN1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615119639 ILWOWMSGCNXQQV-XMMPIXPASA-N 394.515 3.873 0 40 GHAB Cc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)Nc3ccccc32)cc1 1775973877 ITAACPPWXIWRNB-UHFFFAOYSA-N 394.544 3.961 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(F)cc1 780136 JARUFHFXMZLTBC-QHCPKHFHSA-N 375.399 3.833 0 40 GHAB O=C(CSc1nc(COc2ccccc2)nc2ccccc12)N1CCCC1 1356060 DRDUTVRMWMZZPF-UHFFFAOYSA-N 379.485 3.923 0 40 GHAB CCCN(C(=O)CCc1ccc(OC)cc1)c1nnc(-c2cccnc2)s1 1356865 FJVXZBDVHSKASM-UHFFFAOYSA-N 382.489 3.985 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)NC1CCCCC1 1470544 XDFYCXKJJYDKRS-XNTDXEJSSA-N 378.881 3.825 0 40 GHAB CC[C@H]1CCc2c(sc(NC(=O)[C@]3(C)CC3(Cl)Cl)c2C(N)=O)C1 2088809 MNRXQLYVJIXGFM-AYVTZFPOSA-N 375.321 3.884 0 40 GHAB COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)ccc1O 2098753 PYOYKWGLTCKUAR-QTGUNEKASA-N 381.472 3.909 0 40 GHAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(F)c1 2444542 GATBBAQCSIBDNU-UHFFFAOYSA-N 386.452 3.747 0 40 GHAB O=C(NCc1ccc(F)cc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 2642962 CGSWEKVONOMOHT-UHFFFAOYSA-N 387.414 3.514 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(O)n(Cc2ccccc2)c(=O)n1 3134874 QPXABSXBUFLNEV-UHFFFAOYSA-N 390.226 3.556 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)c1oc2ccccc2c1NC(=O)C1CC1 4354096 BDUFIRWIDKJXFS-UHFFFAOYSA-N 378.384 3.805 0 40 GHAB CC(C)N(C(=O)COC(=O)c1cc(Br)ccc1O)c1ccccc1 4808067 LUHLPUZLTRHELG-UHFFFAOYSA-N 392.249 3.753 0 40 GHAB O=C(CCn1c(=O)sc2ccccc21)Nc1cccc(Br)c1 5015084 JONZXNNBHQZINK-UHFFFAOYSA-N 377.263 3.854 0 40 GHAB COc1cc2c(cc1NC(=O)[C@@H](C)Sc1nncn1C)oc1ccccc12 5118746 DFRBFEQVHHPOGB-LLVKDONJSA-N 382.445 3.842 0 40 GHAB COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)c3ccc(C)cc3)nc12 5121704 BUQXMVURLNTAMA-UHFFFAOYSA-N 399.516 3.830 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc3ccc(-c4ccco4)nn23)cc1F 5168221 MTFZKXQMPLPJNW-UHFFFAOYSA-N 383.408 3.563 0 40 GHAB Cc1sc2ncn(Cc3cc4c(cc3Br)OCO4)c(=O)c2c1C 5319513 OMPAXKZAFQEABG-UHFFFAOYSA-N 393.262 3.614 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccc2)c(=O)[nH]1 5625884 JJPKWCKBFYSBOD-UHFFFAOYSA-N 386.864 3.525 0 40 GHAB Cc1cc2oc(C(=O)N3CCN(CCc4ccccn4)CC3)c(C)c2cc1C 6672857 DBHWZELEROMRJO-UHFFFAOYSA-N 377.488 3.754 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 7646164 VLJPDWMXLVFFPW-UHFFFAOYSA-N 392.546 3.956 0 40 GHAB O=C([C@H]1CN(C(=O)c2ccc3c(c2)CCC3)c2ccccc2O1)N1CCCCC1 7825358 DFBGEWGQZPEOFM-JOCHJYFZSA-N 390.483 3.596 0 40 GHAB CC(C)CC[C@]1(C)NC(=O)N(CCOc2ccc(Br)cc2)C1=O 7987682 XXUBNSRMPIPYNS-KRWDZBQOSA-N 383.286 3.575 0 40 GHAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(NC(=O)c2ccco2)cc1 8165130 TYZLNCMHHNLQJI-UHFFFAOYSA-N 391.427 3.621 0 40 GHAB COc1cc(C(=O)OCC(=O)NC2CCCCC2)ccc1OCc1ccccc1 9180667 AKIJDJBDFYFVLM-UHFFFAOYSA-N 397.471 3.880 0 40 GHAB Cc1cccc(-n2nc3c(c2NC(=O)CCc2ccccc2)C[S@](=O)C3)c1C 9413295 RNMPWUVDEAEJPE-MUUNZHRXSA-N 393.512 3.823 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2sccc2C1 10922080 WYYZOTRSJGWMBM-QGZVFWFLSA-N 376.909 3.741 0 40 GHAB O=C(CSc1nc(Cc2cccs2)n[nH]1)Nc1ccc(N2CCCC2)cc1 11602087 ADFFRCIDOHIUCS-UHFFFAOYSA-N 399.545 3.788 0 40 GHAB O=C(Cn1ccnc1-c1ccccc1)Nc1nnc(Cc2cccc(F)c2)s1 12116833 QBPGTVQJQYCKHT-UHFFFAOYSA-N 393.447 3.770 0 40 GHAB Cc1nn(Cc2c(F)cccc2Cl)c(=O)c2c1cnn2-c1ccc(F)cc1 12228447 YKEYKDLFGHJKPT-UHFFFAOYSA-N 386.789 3.871 0 40 GHAB O=C(Nc1ccccc1O)C1CCN(Cc2cc(-c3cccs3)on2)CC1 12591933 NJBNVPUOSYVWSU-UHFFFAOYSA-N 383.473 3.959 0 40 GHAB CC(=O)c1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 12774502 AVUGDKHJAAWPPS-KPKJPENVSA-N 376.456 3.780 0 40 GHAB CCNc1nnc(SC[C@@H](O)COc2cc(Cl)ccc2Cl)s1 12797579 ZNJAAWWUNFEZEW-VIFPVBQESA-N 380.322 3.809 0 40 GHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CC(=O)N(c2ccccc2F)C1 12823909 ACWSBKIYRLRWAY-AWEZNQCLSA-N 381.432 3.941 0 40 GHAB O=C(CN1CCC(Nc2ncnc3cc(Cl)ccc23)CC1)Nc1ccccc1 12877941 MAGBXPZRWRUPHV-UHFFFAOYSA-N 395.894 3.798 0 40 GHAB COc1ccc(O)c(C(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2)c1 12986989 AYWWXRNZZULPKI-UHFFFAOYSA-N 378.306 3.716 0 40 GHAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccc(F)c(F)c1 13006926 CYSBUGCUTZHITG-OCCSQVGLSA-N 378.444 3.756 0 40 GHAB O=C(O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 14185010 XHRYYIPXUHDFJT-UHFFFAOYSA-N 393.468 3.652 0 40 GHAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1nc2c(ccc3ccccc32)s1 14505788 JXYBWIHMTDGUJU-GASCZTMLSA-N 393.468 3.563 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cncn1-c1ccc(F)cc1 18202935 MPWFPMRMEFPHDA-UHFFFAOYSA-N 389.434 3.744 0 40 GHAB Cc1cnc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)cn1 19238839 MDWRBFBZZLVIHF-UHFFFAOYSA-N 389.381 3.700 0 40 GHAB C[C@H](CCc1ccccc1)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1 19455822 DLHUFMAQXGKVEB-LJQANCHMSA-N 390.531 3.638 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)cc2n1 19522364 VKQIJCJPFGSKEX-KGLIPLIRSA-N 392.425 3.983 0 40 GHAB CCc1ccccc1Nc1noc2c1CN(C(=O)C[C@@H](C)n1ccnc1)CC2 19523046 RBUWEWYIVRBYQN-OAHLLOKOSA-N 379.464 3.713 0 40 GHAB CC1=C(C)C[C@H](C(=O)N2CCC(c3ccc(-c4cnc(N)nc4)cn3)CC2)CC1 19687815 PMCUPTBGVJEPKV-GOSISDBHSA-N 391.519 3.963 0 40 GHAB NCc1ccc([C@@H]2CN(C(=O)c3cc4ccccc4o3)C[C@H]2c2cc[nH]n2)cc1 19699000 WZHDMSPYFXZUJZ-RBUKOAKNSA-N 386.455 3.638 0 40 GHAB C[C@@]1(CNC(=O)CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CCCO1 19745366 YJBMDOPVBKFCII-FQEVSTJZSA-N 398.469 3.993 0 40 GHAB C[C@H](NC(=O)c1cnc2sc3c(n2c1=O)CCCC3)c1ccc(Cl)cc1 20030115 UYZZWAUUZKADPR-NSHDSACASA-N 387.892 3.779 0 40 GHAB C[C@H](Oc1cccc(C=O)c1)C(=O)Nc1cccc(I)c1 21375764 WJIDTOBMDZSCBP-NSHDSACASA-N 395.196 3.510 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)NCc1ccccc1CN1CCOCC1 21934985 ZIPFNGQISDYBSC-UHFFFAOYSA-N 391.515 3.639 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)NCc3ccccc3OC(F)F)c2C)no1 22356007 FLDZZZZMBIXALZ-UHFFFAOYSA-N 375.375 3.922 0 40 GHAB O=C(CSc1nnc(N2CCN(c3ccccc3)CC2)s1)c1ccccc1 23140133 ADLUSBWGKYRXLU-UHFFFAOYSA-N 396.541 3.840 0 40 GHAB O=C1NC2(CCCCC2)C(=O)N1CN1CCC[C@@H]1c1nc2ccccc2s1 23805434 KDPVLMOOGQMCBZ-OAHLLOKOSA-N 384.505 3.645 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(CNC(N)=O)cc2)cc1 24392844 DQTIBMJICLNPII-HXUWFJFHSA-N 381.476 3.621 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCCc2ccccc21 24748351 VMGMAZPFLJKVEM-NRFANRHFSA-N 398.528 3.920 0 40 GHAB COc1cc(C)c(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1OC 24778657 PFDDLLUFSQKESA-HNNXBMFYSA-N 388.489 3.707 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1F 25475769 XTSKOFOAGPIWQE-MRXNPFEDSA-N 393.256 3.981 0 40 GHAB CCCc1ccc([C@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c2cccs2)cc1 32745054 PPJUGAWQKRUPIA-UTKZUKDTSA-N 382.529 3.917 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CSc2nc(C)c(C)n2CCOC)cc1 32894021 XDXZKFRWAZOTGR-HNNXBMFYSA-N 375.538 3.678 0 40 GHAB CCc1ccccc1NC(=O)CSCc1cc(=O)n2cc(Cl)ccc2n1 33026830 VKDNDTIACJDADR-UHFFFAOYSA-N 387.892 3.782 0 40 GHAB Cc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)c2ccco2)s1 35311583 LIHJDRKUEPEMAO-UHFFFAOYSA-N 388.474 3.731 0 40 GHAB CC(C)(CN1CCCCC1)NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1 35316559 PXSVQCXZJVXADP-UHFFFAOYSA-N 395.482 3.530 0 40 GHAB COc1ccc2[nH]c(C)c(C(=O)CN3CCN(c4ccccc4F)CC3)c2c1 36007023 OFXJEOKUKDTCMG-UHFFFAOYSA-N 381.451 3.629 0 40 GHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CC1=NC(=O)CS1 36636085 WAJXDBWYHYACHR-UHFFFAOYSA-N 388.470 3.592 0 40 GHAB Cc1nc2ccccc2n1CC1CCN(CC(=O)Nc2ccc(F)cc2F)CC1 38535746 XCJLTEMGIUHDJF-UHFFFAOYSA-N 398.457 3.974 0 40 GHAB NC(=O)Nc1ccc(C(=O)NCc2ccc(COc3ccccc3)cc2)cc1 40093621 FYWNXIAPRSFYEA-UHFFFAOYSA-N 375.428 3.686 0 40 GHAB CC(C)(NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(Br)cc1 40093672 IWESZDACAUYKGT-UHFFFAOYSA-N 376.254 3.605 0 40 GHAB CCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 40146531 OSUDIHRZFAFVFE-HNNXBMFYSA-N 385.895 3.847 0 40 GHAB COCc1nn2c(ncc3c(=O)n(C4CC4)ccc32)c1-c1ccc(Cl)cc1 40397786 HXQMUBYKLWTUQC-UHFFFAOYSA-N 380.835 3.846 0 40 GHAB CN(C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)C1CCCCC1 44885596 NCMQCZYTRJLVGC-UHFFFAOYSA-N 386.517 3.920 0 40 GHAB Cc1cc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)no1 52551484 MPWCOYYEMIXISM-UHFFFAOYSA-N 388.777 3.905 0 40 GHAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC[C@H](C(=O)NCC2CC2)C1 52929433 HQVQURZMNGQANV-OCCSQVGLSA-N 398.334 3.559 0 40 GHAB Cc1nc(C)c(CC(=O)N[C@@H](CCC(C)C)c2ccc(Cl)cc2)c(=O)[nH]1 57128537 QPRIITLBNNLQQN-SFHVURJKSA-N 375.900 3.876 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N[C@@H](C)c1ccccc1Cl 57421399 QEBZYWQOUDPXSM-HOTGVXAUSA-N 387.911 3.751 0 40 GHAB CCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)c(C)c1 57428702 MOQVKIQOFPFLNM-UHFFFAOYSA-N 391.493 3.513 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)CN(C1CCCC1)C1CCCC1)CC2 58192735 ODMYVSFZNJQMNO-UHFFFAOYSA-N 386.536 3.776 0 40 GHAB CC(C)(C)OC(=O)NC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 58222992 YGFHRLARZJDXIQ-SJORKVTESA-N 378.900 3.959 0 40 GHAB CC(=O)Nc1ccc(Br)cc1NC(=O)COc1ccc(F)cc1 58263884 VOCWVEDFHUZUCL-UHFFFAOYSA-N 381.201 3.564 0 40 GHAB COc1ccc(-c2csc(NC(=O)Cn3ccc(=O)c4ccccc43)n2)cc1 58414515 JQMHHPNRBVDXCI-UHFFFAOYSA-N 391.452 3.772 0 40 GHAB COc1ccc2c(c1)CCN2C(=O)NCC1(c2ccccc2C)CCOCC1 60560318 LEBWQLINJGQDSZ-UHFFFAOYSA-N 380.488 3.824 0 40 GHAB COc1ccccc1-c1nc(CN2CCC(N3CCO[C@@H](C)C3)CC2)cs1 66561696 XMBZXUSOMJQZJO-INIZCTEOSA-N 387.549 3.504 0 40 GHAB CCc1nc2c(sc3ncccc32)c(=O)n1CC(=O)Nc1cc(C)cc(C)c1 67246026 LREWIWYRZMIFKS-UHFFFAOYSA-N 392.484 3.824 0 40 GHAB COc1cc([C@@H]2SC(C)=Nc3c2c(O)nn3C(C)C)cc2c1OCCO2 71284538 OXRZBDMLVVVJLT-INIZCTEOSA-N 375.450 3.836 0 40 GHAB COc1ccc(NC2=NC(=O)S/C2=C\c2ccc3c(c2)n(C)c(=O)n3C)cc1 71287586 UIFQKWLXOATGIA-BOPFTXTBSA-N 394.456 3.604 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=S)Nc2ccc(C)c(F)c2)cc1 71761701 AIBAARNUPWOBTC-UHFFFAOYSA-N 395.525 3.974 0 40 GHAB O=C(c1cnccn1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72349213 OPMOIVQHBNCPED-UHFFFAOYSA-N 376.435 3.621 0 40 GHAB Cc1nc(C2CCN(C(C)C)CC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 72371166 VGQQZPPGBDUILQ-UHFFFAOYSA-N 396.510 3.991 0 40 GHAB Cc1ccc(/C=C/S(=O)(=O)NCC2(c3cccs3)CCOCC2)cc1 77200800 LSBPXZRGDGQFGT-RIYZIHGNSA-N 377.531 3.695 0 40 GHAB O=C(c1cccnc1SC(F)(F)F)N1CCC[C@H](c2nncn2C2CC2)C1 84358156 YJVWZUYYAFOBJO-NSHDSACASA-N 397.426 3.640 0 40 GHAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(N2CCCNC2=O)c1 84374326 UHSCLLRGHWBIKR-UHFFFAOYSA-N 377.366 3.806 0 40 GHAB Cc1cc(C)n2nc(C(=O)Nc3cc(Cl)c(C)cc3Br)nc2n1 95943464 XGVPUEHKYVEUJV-UHFFFAOYSA-N 394.660 3.718 0 40 GHAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1cccnc1)CC2 96037036 ILIIXUKKVICCAZ-UHFFFAOYSA-N 387.531 3.772 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)N[C@H]1CCCc2ccccc21 96523192 RYFGJPHBIXHXGF-KTZOAPACSA-N 398.509 3.978 0 40 GHAB O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC[C@@]2(CCCOC2)C1 97212756 DAHTWJDVKZCLNT-GOSISDBHSA-N 395.381 3.788 0 40 GHAB CCOc1cc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1O 100391926 IMJWMYWSIOVJCU-DHDCSXOGSA-N 388.876 3.702 0 40 GHAB COc1cc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2C)cc(OC)c1OC 100908707 QZYVSRONUWKRKK-MRCUWXFGSA-N 386.473 3.624 0 40 GHAB COC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(F)cc1 113882479 MINGGERSTUIMDU-UHFFFAOYSA-N 392.235 3.501 0 40 GHAB CC[C@H](C(=O)Nc1cccc(SC)c1)N(c1ccccc1F)S(C)(=O)=O 220593115 NBNUYTBMTCYFPA-MRXNPFEDSA-N 396.509 3.731 0 40 GHAB CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl)c1ccc(C)cc1 222522386 YBZYEFGKSRTRIK-GOSISDBHSA-N 394.924 3.925 0 40 GHAB COc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 222739993 ZWDTWKAUTDBBLO-GOSISDBHSA-N 396.531 3.878 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 224873932 CLUPNDUJWDQTIQ-SFHVURJKSA-N 384.495 3.929 0 40 GHAB COc1ccc(CCNC(=S)Nc2ccc(OC)c3ncccc23)cc1OC 225317514 KZCHNYQMXFXSRI-UHFFFAOYSA-N 397.500 3.790 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 225380561 SFKNMLXJIHBNDI-HNNXBMFYSA-N 390.936 3.986 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](OC)c1ccc(Cl)s1 225706286 LJYGSUSEQHWGMG-ZDUSSCGKSA-N 389.926 3.693 0 40 GHAB COc1ccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)c(OC)c1 225739339 WWJWUSLNOHXURZ-HNNXBMFYSA-N 385.533 3.832 0 40 GHAB CCOc1ccc(-c2noc(CN(C)C(=O)Nc3ccccc3OC)n2)cc1 225770823 GIUYIQIOPGMNFJ-UHFFFAOYSA-N 382.420 3.808 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2C[C@@H](C)C[C@@H](C)C2)cc(C(F)(F)F)n1 225893076 RDUKHRSCAPIJJH-TXEJJXNPSA-N 389.491 3.920 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c(OC)c1 244536292 ZVZQVUYNRYAVPE-ZDUSSCGKSA-N 388.851 3.657 0 40 GHAB Cc1ncccc1C(=O)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 257270876 MVZRENKDRVFRIF-AZUAARDMSA-N 394.471 3.631 0 40 GHAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(Cc2ccccc2)CC1 257314353 UWPBXMTWOFZIJV-UHFFFAOYSA-N 380.517 3.773 0 40 GHAB CCc1nnsc1C(=O)N1CCC(c2cc(-c3c(C)noc3C)ccn2)CC1 257326788 WYOQVNDCUXGVPK-UHFFFAOYSA-N 397.504 3.787 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 260850861 SEVXCWHYYSLNAT-YJBOKZPZSA-N 386.533 3.703 0 40 GHAB CCc1ccc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccn2)cc1 306138316 RUTOLGOODDLMPX-PKTZIBPZSA-N 386.499 3.527 0 40 GHAB COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccc(F)cc1 408574905 NACIWIFWJHUVJF-KRWDZBQOSA-N 375.465 3.857 0 40 GHAB O=C(NCCC1=CCCCC1)C(=O)NCC(c1ccccc1)c1ccccc1 408707090 JMPBMJWPRNHEDD-UHFFFAOYSA-N 376.500 3.941 0 40 GHAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(F)c1C 408989092 JVGHHSCXOOQGOZ-LJQANCHMSA-N 383.423 3.911 0 40 GHAB Cc1ccc2sc(CN3C[C@@H](C[C@H]4COCC(=O)N4)c4ccccc43)nc2c1 528507018 VQSGOUZLYPAPPJ-CVEARBPZSA-N 393.512 3.614 0 40 GHAB COc1cc(C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)nn1C 547973186 IZVMCUIUMBIFFT-AWEZNQCLSA-N 396.260 3.602 0 40 GHAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)N1CC[C@H](c2nc[nH]n2)C1 564320606 WWTSXGCCFJSTHJ-LBPRGKRZSA-N 388.884 3.527 0 40 GHAB Cc1cc(C)n([C@H](CNC(=O)Nc2ccc3c(c2)OCO3)c2ccsc2)n1 575614127 OHVLPTRRCXVLNI-MRXNPFEDSA-N 384.461 3.701 0 40 GHAB CCCOc1ccc(CCC(=O)NCc2nccnc2-c2cccnc2)cc1 575619272 KHJHVAMLJHJNGP-UHFFFAOYSA-N 376.460 3.576 0 40 GHAB CC(C)C[C@H](O)C(=O)N1CCC[C@]2(CCCN2Cc2cc(F)ccc2F)CC1 585100377 KMXFBALNFOBJGJ-UNMCSNQZSA-N 394.506 3.719 0 40 GHAB CC(C)OC(=O)NC[C@H]1CCC2(CCN(c3ncc4ccccc4n3)CC2)CO1 585101135 ILFLTCPDUNCJCZ-GOSISDBHSA-N 398.507 3.530 0 40 GHAB Clc1ccc2ncc(-c3cccc(C[C@H]4OCCC45CCNCC5)n3)n2c1 585263025 HUXUMWHAUDJYAH-LJQANCHMSA-N 382.895 3.751 0 40 GHAB CCOC(=O)c1cnn(-c2cccc(NC(=O)[C@@H]3Cc4ccc(F)cc43)c2)c1C 619428042 UNHCRCRYLJSSHL-LJQANCHMSA-N 393.418 3.775 0 40 GHAB O=C(Cc1ccccc1)Nc1cc(NC2CCN([C@@H]3CCOC3)CC2)ccc1F 656255022 GKGXRSIEBDMHTN-HXUWFJFHSA-N 397.494 3.672 0 40 GHAB CC(C)(C)CN1CCC[C@H](N2CCO[C@H](c3c(F)cccc3Cl)C2)C1=O 1559971486 NCYITWDWOZSZFZ-IRXDYDNUSA-N 382.907 3.890 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)C1(c2ccccc2)CCOCC1 1775967470 SSVFFCYCTIVWQG-QGZVFWFLSA-N 397.496 3.906 0 40 GHAB CCOc1ccc(C(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)cc1 679719 MSVOKVDAFUWANV-UHFFFAOYSA-N 379.445 3.812 0 40 GHAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc2c(c1)OCO2 808273 KYJAWBZLWZSXRJ-UHFFFAOYSA-N 390.395 3.954 0 40 GHAB O=C1N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 1242353 OZKFEPIREITUCS-CVEARBPZSA-N 397.283 3.606 0 40 GHAB CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccc(C)cc2)c1 1343657 GSBFPFKGDBFRBL-FQEVSTJZSA-N 379.460 3.510 0 40 GHAB COc1cccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1 1364560 UEKMXWIIZLSHFL-UHFFFAOYSA-N 394.500 3.943 0 40 GHAB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(Cl)cc1 2463429 PUGVNTZCGAYKKC-UKRRQHHQSA-N 378.881 3.942 0 40 GHAB Cn1c(CS(=O)(=O)c2ccccc2)cnc1SCc1ccc(F)cc1 3128402 DLOZIFBFLKWVHY-UHFFFAOYSA-N 376.478 3.825 0 40 GHAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)c1cccs1 3317102 ZQTLFMCKIOHDQP-UHFFFAOYSA-N 381.837 3.555 0 40 GHAB Cc1ccc(C(=O)O)cc1NC(=O)CSc1ncnc2sc3c(c12)CCC3 3367899 KGUDEUFYIMHWPK-UHFFFAOYSA-N 399.497 3.917 0 40 GHAB Cc1ccccc1Cn1cc(SCC(=O)N2CCOCC2)c2ccccc21 4059698 GLVMOMXVJZWGNA-UHFFFAOYSA-N 380.513 3.949 0 40 GHAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(F)c2)C[S@](=O)C3)c(C)c1 4106072 UTXWUSUQDYUTNK-HHHXNRCGSA-N 383.448 3.643 0 40 GHAB Cc1ccc(S(=O)(=O)N2N=C(C3CCCCC3)C[C@@]2(O)C(F)(F)F)cc1 4199221 ISGVFDATXQRGAS-MRXNPFEDSA-N 390.427 3.577 0 40 GHAB O=C(Nc1ccc(Br)cc1F)N[C@@H]1CC(=O)N(c2ccccc2)C1 4359910 FDFGKADLOYKYFX-GFCCVEGCSA-N 392.228 3.515 0 40 GHAB CCc1ccc(OCC(=O)NC(=S)NC2CCCCC2)c(Br)c1 4673237 PNJAQIDSIJQPER-UHFFFAOYSA-N 399.354 3.714 0 40 GHAB CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1 4740428 DODTUCIASNKRES-UHFFFAOYSA-N 380.473 3.976 0 40 GHAB CN1C(=O)N(C)[C@]2(c3ccccc3)N(C(C)(C)C)C(=O)N[C@@]12c1ccccc1 4765401 WATLGMXWCKXWAM-FCHUYYIVSA-N 378.476 3.513 0 40 GHAB O=C(CCSc1ccc(Cl)cc1)OCC(=O)N1CCc2ccccc2C1 5018418 AQGYIDQFBGAGOU-UHFFFAOYSA-N 389.904 3.950 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@H](C)n1nnc2sc3c(c2c1=O)CCCC3 5183361 LZNLBBWUMUTXRM-ZDUSSCGKSA-N 396.516 3.802 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1OC 5478097 XFMAJZRRWPTYHA-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1c(C)nn(C)c1C 5505226 WLSKFRCHEFNMIB-UHFFFAOYSA-N 386.677 3.779 0 40 GHAB Cc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 6260321 ZQTDRCQGKSBFPY-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(C)=O)cc2)c1 6746528 PRXXGLFDYOCZRO-LJQANCHMSA-N 381.432 3.533 0 40 GHAB CCOc1ncccc1C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 7000759 QLGPMDATGBDYJB-UHFFFAOYSA-N 385.445 3.873 0 40 GHAB CCc1ccc2c(CC(=O)NCc3ccc(N4CCCC4=O)cc3)coc2c1 7491182 YDUYEUFGDXHJNZ-UHFFFAOYSA-N 376.456 3.981 0 40 GHAB Cc1ccc(C(=O)N[C@@H](C(=O)OCc2cn3cc(Cl)ccc3n2)C(C)C)cc1 7942518 TZCYBXMZRMLOGC-LJQANCHMSA-N 399.878 3.794 0 40 GHAB COc1ccc(OCc2nn(CC(=O)Nc3ccc(C)cc3)c(=S)o2)cc1 8550212 HZGAYJNQUHCMIY-UHFFFAOYSA-N 385.445 3.740 0 40 GHAB Cc1c(N2C(=O)[C@H](C)S[C@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C 8716662 LZHQPYAIXDKIFL-DJJJIMSYSA-N 385.514 3.713 0 40 GHAB COCCCN1C(=O)c2oc3cc(C)ccc3c(=O)c2[C@H]1c1ccc(C)cc1 8916643 BPRNPRCCFRCEJG-HXUWFJFHSA-N 377.440 3.992 0 40 GHAB O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2c(nc(-c3ccccc3)[nH]c2=O)N1 9168715 ABYZDLSQCRFQMQ-AWEZNQCLSA-N 385.345 3.930 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 10967932 LLAQSJGGEFVMSY-INIZCTEOSA-N 389.517 3.778 0 40 GHAB Cc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c2cnn(C(C)C)c2n1 10968784 UBBRKXFFBIVBTA-UHFFFAOYSA-N 377.452 3.899 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1C 11612703 ZRMOSMOZKCXXHK-IBGZPJMESA-N 386.517 3.875 0 40 GHAB Cc1cc2nc(CCC(=O)N3CCC(O)(c4ccccc4C)CC3)[nH]c2cc1C 12147518 NYMZOOSFLUKQOM-UHFFFAOYSA-N 391.515 3.931 0 40 GHAB COc1cccc([C@@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1 12292517 BLHAWXNGVAHDFH-IBGZPJMESA-N 395.421 3.731 0 40 GHAB CC(=O)c1cccc(NC(=O)CCS[C@@H]2CCc3ccccc3NC2=O)c1 12391426 WRZPSJIKXKLFIK-LJQANCHMSA-N 382.485 3.905 0 40 GHAB COc1ccc(CNC(=O)c2sc(=S)n(Cc3ccccc3)c2N)cc1 12416074 YJJTYDSQVAVTBE-UHFFFAOYSA-N 385.514 3.848 0 40 GHAB O=C(c1cn2ccccc2n1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 12603752 UIRKOSWVZMGMFE-AWEZNQCLSA-N 378.457 3.770 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 12762042 ADPWMQDDANDZDX-AWEZNQCLSA-N 383.473 3.539 0 40 GHAB CN1C(=O)c2ccc(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)cc2C1=O 12788093 PFRMKUZMIROZIY-HNNXBMFYSA-N 386.860 3.533 0 40 GHAB Cc1ccccc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12799179 ABQSBOLOKVPRHF-UHFFFAOYSA-N 390.530 3.510 0 40 GHAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1cc(Cl)ccc1F 12972876 OVLRJCXXVUJBIB-UHFFFAOYSA-N 395.906 3.532 0 40 GHAB NC(=O)CCN(Cc1ccccc1)C(=O)COc1ccccc1-c1ccccc1 12982723 JWZBKJNYEWMZGC-UHFFFAOYSA-N 388.467 3.637 0 40 GHAB COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C2CC2)CO4)cc1OC 13719704 VWISTMBPOKEQLG-UHFFFAOYSA-N 379.412 3.792 0 40 GHAB biogenic C[C@@H]1Oc2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2NC1=O 14198639 JHWDPRLWJVLFAI-HNNXBMFYSA-N 379.460 3.644 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 17333507 BNYPLNMAUCODKU-UHFFFAOYSA-N 379.485 3.781 0 40 GHAB COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C 19045718 QGWMIQPMNNKJMA-IBGZPJMESA-N 385.460 3.874 0 40 GHAB Cc1nccn1C[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C 19287741 RYGJOUONLVUSTM-MSYGRNIXSA-N 394.563 3.697 0 40 GHAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)c3csc(C(C)C)c3)ncc2C1 19452178 IWLPLDZCWXSNFQ-SFHVURJKSA-N 398.532 3.543 0 40 GHAB Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)n1 19573050 HVKXRRCIOOBWAB-MJGOQNOKSA-N 383.492 3.640 0 40 GHAB C[C@@]1(C(=O)Nc2cccc(-c3nc[nH]n3)c2)CC(c2ccccc2Cl)=NO1 19717640 PJZMGJFBSJFMON-IBGZPJMESA-N 381.823 3.647 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccccc1 20040411 SMGVHKKRNXYLMP-YLJYHZDGSA-N 388.533 3.725 0 40 GHAB COc1cc(C)c(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 20909289 ZHXQFBWCIAFWLO-UHFFFAOYSA-N 378.469 3.598 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)Cc3c(C)nn(-c4ccccc4)c3C)ccc21 20924912 JRDMIWLJVKRAIN-UHFFFAOYSA-N 388.471 3.579 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)Nc2cc(C(C)(C)C)ccc2O)CC1=O 21006571 CPGNDGDPFNTKHM-CQSZACIVSA-N 382.460 3.690 0 40 GHAB COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 21356261 NFSNXYUCFLOPJS-NSHDSACASA-N 378.222 3.642 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 21933917 CJVCQGCDDIJMDA-AWEZNQCLSA-N 393.487 3.973 0 40 GHAB Cc1cccc(CC(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)c1 23106470 PVQKKCFPEGJROS-XMMPIXPASA-N 388.511 3.880 0 40 GHAB CC(C)(C)c1ccc(OCC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 24335606 MLQKBMFJOPECRB-QFIPXVFZSA-N 396.531 3.553 0 40 GHAB Cc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc1Cl 24701045 AQRGVBNFVKLBCQ-UHFFFAOYSA-N 385.895 3.853 0 40 GHAB Cc1cc(C(=O)NCCc2nnc3ccccn23)c(C)n1[C@@H](C)c1ccccc1 24750378 YBYQLRGLSBWONM-KRWDZBQOSA-N 387.487 3.729 0 40 GHAB COc1cc(CC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cc(OC)c1OC 24832288 IFPXCZWCVNJFSY-GFCCVEGCSA-N 395.402 3.734 0 40 GHAB CC[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1 30868994 SEXQMVRLXKETCN-SFHVURJKSA-N 394.924 3.682 0 40 GHAB Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccc4c(c3)NC(=O)CO4)cs2)o1 31370844 VLKWPCYYAWGURJ-NSHDSACASA-N 383.429 3.533 0 40 GHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1C 31710952 OENGSHLRWYARHI-MSOLQXFVSA-N 396.487 3.618 0 40 GHAB C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc2c(c1)NC(=O)CO2 32815076 QHPXRSXVGPPAFO-LLVKDONJSA-N 399.497 3.622 0 40 GHAB COc1ccc([C@@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)c2ccccc2)cc1 32909416 AQCBXFDAKUOEHN-QFIPXVFZSA-N 394.515 3.795 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 32949388 XZTFZHVWPBBMOF-KRWDZBQOSA-N 396.871 3.661 0 40 GHAB CCn1ncc(-c2cc(C(F)F)nc(N[C@@H](C)c3cnn(C)c3C)n2)c1C 36614122 HJSBXYYHPHLVCN-JTQLQIEISA-N 375.427 3.821 0 40 GHAB Cc1cc(C)n(CCNC(=O)c2csc(-c3cc4ccccc4n3C)n2)n1 36708171 UYFBOSUDKCIEOK-UHFFFAOYSA-N 379.489 3.545 0 40 GHAB C=CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 40122742 OLQCNNSVVIRHIE-UHFFFAOYSA-N 385.851 3.553 0 40 GHAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1ccc(OCC(F)(F)F)cc1 40146104 PJMFNZWZVNRCSG-LJQANCHMSA-N 390.361 3.521 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)ccc1C(C)C 44487862 WJXWWWOZTTYWPP-KRWDZBQOSA-N 398.503 3.991 0 40 GHAB O=S(=O)(c1cccnc1)N(Cc1csc(-c2ccc(F)cc2)n1)C1CC1 46053046 IHSCHQJRYQWKSY-UHFFFAOYSA-N 389.477 3.698 0 40 GHAB O=C(NCc1cccc(CN2CCCC2)c1)NC[C@@H]1CCN(c2ccccc2)C1 48957300 PTAFUDWVMUGZKC-QFIPXVFZSA-N 392.547 3.608 0 40 GHAB COc1cc2nc(CN[C@H](C)c3ccc4c(c3)CCCC4)[nH]c(=O)c2cc1OC 49581080 ABYBALSPIOXTJY-CQSZACIVSA-N 393.487 3.670 0 40 GHAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 50728085 IQOJCGPSOSXGPV-LLVKDONJSA-N 377.897 3.527 0 40 GHAB COc1ccc([C@@H](NC(=O)c2ccc(N3CCNC3=O)c(C)c2)C(C)C)cc1 53219346 MGMASKPYZVPCRR-FQEVSTJZSA-N 381.476 3.660 0 40 GHAB Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cc(C(=O)O)ccc1C(C)C 55648997 BZDZIPABRBBSEA-UHFFFAOYSA-N 379.482 3.703 0 40 GHAB O=C(CNc1ccccc1N1CCCCCC1)N1CCN(c2ccccc2)CC1 56164039 QWUBDPQADLJXTE-UHFFFAOYSA-N 392.547 3.828 0 40 GHAB CC(C)[C@H](NC(=O)c1ccncc1)C(=O)N(C)Cc1cccc(Cl)c1Cl 58159724 MEGJGHRJAVFQMD-KRWDZBQOSA-N 394.302 3.801 0 40 GHAB CC(C)[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1nnc2ccccn12 58343250 LPGPTHPFGLVWLY-OAHLLOKOSA-N 375.379 3.850 0 40 GHAB Cc1c(C(=O)COC(=O)c2ccc(N3CCOCC3)cc2)oc2ccccc12 58386689 IQGRMQZPVPMUCF-UHFFFAOYSA-N 379.412 3.618 0 40 GHAB CC(C)(C)c1ncc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cn1 58393452 HLELNTIRKNYFBE-UHFFFAOYSA-N 397.429 3.979 0 40 GHAB CN(C)[C@@H](CNC(=O)Nc1cccc(Oc2cnccn2)c1)c1cccs1 62580157 XBCOVRVHATVWHQ-INIZCTEOSA-N 383.477 3.755 0 40 GHAB COc1ccc(C)cc1Nc1c(C(=O)N2CCOCC2)cnc2ccc(F)cc12 64471669 SZFMKVDHZFWQCT-UHFFFAOYSA-N 395.434 3.907 0 40 GHAB O=C(NCc1cccc(Cl)c1)c1cc(Cn2cc(-c3ccncc3)cn2)on1 66089080 GTFRPVXVIOXFPL-UHFFFAOYSA-N 393.834 3.565 0 40 GHAB CCC[C@](C)(CCCNC(=O)Nc1ccc2c(c1)OCCO2)C1OCCO1 72306239 HGVSUMRQBCDKTI-HXUWFJFHSA-N 378.469 3.539 0 40 GHAB Cc1nc2ccccc2n1CC(=O)NC1(c2ccc3c(c2)OCO3)CCCC1 72346532 QMORGVQRSCRFBS-UHFFFAOYSA-N 377.444 3.659 0 40 GHAB COc1ccccc1Oc1cncc([C@H]2CCCN(Cc3cnn(C)c3C)C2)n1 72362583 ZTXZTPCTGYPCMP-KRWDZBQOSA-N 393.491 3.699 0 40 GHAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)N1CCO[C@H](c2ccccc2)C1 72404954 QYGWFHHIXWFANG-FQEVSTJZSA-N 381.863 3.954 0 40 GHAB CC(C)(CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)c1ccc(Cl)cc1 78698992 ZXXNBUICKPAQMG-HXUWFJFHSA-N 398.934 3.968 0 40 GHAB COCCn1cc(C(=O)NCCc2c[nH]c3ccc(OC)cc23)c2ccccc21 79189544 RWVDQIWPUHBAGJ-UHFFFAOYSA-N 391.471 3.750 0 40 GHAB biogenic CN(C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 83869420 YCJJQWCAIFNDFU-JKSUJKDBSA-N 397.418 3.875 0 40 GHAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 84640736 VDTLVUDIWBGUAO-GOSISDBHSA-N 397.478 3.806 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)c1 95947283 AOILHVCWEXZZGR-QHCPKHFHSA-N 391.471 3.629 0 40 GHAB CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1nccs1)CC2 96036963 MUJURVRSISUFHZ-UHFFFAOYSA-N 397.523 3.582 0 40 GHAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 96103404 DGIGUOOPDNCVPA-LJQANCHMSA-N 385.529 3.633 0 40 GHAB CN(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2Sc2ncccc21 96232237 IHLBVFXSLMBOJZ-UHFFFAOYSA-N 389.480 3.852 0 40 GHAB CO[C@](C)(CNC(=O)C(=O)Nc1ccccc1SC)c1cccc(Cl)c1 96393136 IPUSWHINTWCYKM-LJQANCHMSA-N 392.908 3.678 0 40 GHAB CC[C@@](Br)([C@H](O)c1ccc(Cl)cc1Cl)S(=O)(=O)CC 96521708 LDDAAYKPPKKIGU-NEPJUHHUSA-N 390.126 3.963 0 40 GHAB COCc1nn2c(O)cc(COc3ccccn3)nc2c1-c1ccc(C)cc1 100733025 LSMOFLZWHIHKRE-UHFFFAOYSA-N 376.416 3.531 0 40 GHAB CCOc1ccccc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 113940283 FATGPWGCPMSRGU-ZDUSSCGKSA-N 396.896 3.532 0 40 GHAB CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(C[S@@](C)=O)c1C 116689602 WBCCWIZMORENNQ-NDEPHWFRSA-N 397.500 3.710 0 40 GHAB Nc1ncnc(NCC2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1 206629205 UZDMRIHKSWTKQD-UHFFFAOYSA-N 375.476 3.930 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 216376444 MBCLDAGIHFSISG-UHFFFAOYSA-N 396.871 3.657 0 40 GHAB CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(F)cc1 219264488 OLTYWLICNGLDDB-UHFFFAOYSA-N 377.466 3.829 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220637184 QHYOUBFGXFYICN-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1C 223457462 LESDIGRBPJPPPJ-QGZVFWFLSA-N 386.517 3.778 0 40 GHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1 223753852 SHHMGCDIYNWMTH-WOJBJXKFSA-N 378.501 3.914 0 40 GHAB COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1Cl 224960593 XMFSEZJNYCEZLD-UHFFFAOYSA-N 376.261 3.836 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=S)NCCSCc2ccco2)c1 225348207 PBWGFOOUUFYVAR-UHFFFAOYSA-N 384.910 3.939 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccco2)c1 225348407 MZQYEORCESDDAW-UHFFFAOYSA-N 378.519 3.985 0 40 GHAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225637730 RTFSVBXBOFNPLT-INIZCTEOSA-N 383.517 3.876 0 40 GHAB Cc1cc2ccccc2n1CCNC(=O)c1ccc(O[C@H]2CCSC2)nc1 225717644 DNLWOLLTJGSNHG-SFHVURJKSA-N 381.501 3.659 0 40 GHAB CC(C)Sc1nnc(NC(=O)C2CCN(Cc3ccccc3)CC2)s1 225831392 IACHPXFPCMIGOR-UHFFFAOYSA-N 376.551 3.889 0 40 GHAB COc1cc(N2Cc3ccccc3C2)nc(NC(=S)NC2CCCCC2)n1 226007564 VLMKQOVMQPPSQS-UHFFFAOYSA-N 383.521 3.625 0 40 GHAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)c1ccc(C(F)(F)F)cc1 253401839 NPBICICUPQLCEZ-MRXNPFEDSA-N 384.423 3.818 0 40 GHAB CN(C)C(=O)c1sc2nc([C@@]3(C)CCCN(c4ccccn4)C3)ccc2c1N 257281284 OOKRWTQCGGQACY-NRFANRHFSA-N 395.532 3.533 0 40 GHAB CCCC(=O)N1CCC(Cc2cc(Nc3cc(C)n[nH]3)nc(C3CC3)n2)CC1 257285556 PHSDPOSRMIMANG-UHFFFAOYSA-N 382.512 3.710 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]2N1Cc1ccc(F)cc1 306129170 HWGPXEURTVRUQT-VXKWHMMOSA-N 393.437 3.848 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408649900 LTSXCSVTDFHRQK-GDBMZVCRSA-N 385.847 3.816 0 40 GHAB O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 408707605 KVVITGYWYPJCBM-OAQYLSRUSA-N 384.479 3.988 0 40 GHAB CC(C)Oc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 408708045 NPNCKWCLROSQHH-INIZCTEOSA-N 386.879 3.797 0 40 GHAB C[C@H]1CN(C(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)CC[C@@H](C)O1 585101442 QHHAGWZTQXHRHA-OLZOCXBDSA-N 382.386 3.922 0 40 GHAB C[C@@H](O)CCCc1cn([C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)nn1 641104477 PEVWZUUHOKQMCO-GHMZBOCLSA-N 396.278 3.948 0 40 GHAB Cc1ccc2c(c1)C(=O)NCC1(CCC(N(C)Cc3ncccc3C)CC1)O2 643913463 AKSYVXCMQRIQTF-UHFFFAOYSA-N 379.504 3.634 0 40 GHAB CN(C(=O)c1cccc(N2CCCC2)c1)[C@H]1CCCN(c2ccccc2)C1=O 668826002 SYSLQXVMUQBSIN-NRFANRHFSA-N 377.488 3.554 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CCCS(=O)(=O)CCCC(F)(F)F 953091186 KXVPRDIZQWETNC-CYBMUJFWSA-N 387.464 3.923 0 40 GHAB FC(F)(F)Oc1ccc(OC2CCN(Cc3n[nH]c4c3CCC4)CC2)cc1 1232426445 JKLXSUNDHPTKTN-UHFFFAOYSA-N 381.398 3.840 0 40 GHAB CCOc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2cccnc2)cc1 905180 JCMYVBNUOYPJME-UHFFFAOYSA-N 398.488 3.772 0 40 GHAB CCc1ccc(NC(=O)CSCCCN2C(=O)c3ccccc3C2=O)cc1 1907393 ALAQYSZNAIRJII-UHFFFAOYSA-N 382.485 3.607 0 40 GHAB COc1cccc(CC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 2625359 PRUSPVYLORGDSP-UHFFFAOYSA-N 376.460 3.861 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3C)n2C)c1C 2628233 JRUMYMMGTATUAI-UHFFFAOYSA-N 382.489 3.913 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)N2CCCc3ccccc32)o1 2720297 AXLOBOSCOKLYOR-UHFFFAOYSA-N 381.457 3.817 0 40 GHAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NCc3ccccc3)c2C1 3240350 BRACWMSUXBIUGB-MRXNPFEDSA-N 388.467 3.833 0 40 GHAB O=C(CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1)N1CCCC1 3292780 XBRWLEOFIYVKAW-UHFFFAOYSA-N 399.903 3.754 0 40 GHAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3OC)n2C)cc1 3391561 KRBVOHHZNPQLSY-ZDUSSCGKSA-N 383.473 3.863 0 40 GHAB COc1ccccc1OCCNC(=O)c1cc(Br)ccc1Cl 3486488 KCLVLQRAZUPDPN-UHFFFAOYSA-N 384.657 3.920 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1ccc(Br)c(C)c1)c1ccccc1 3562167 FCVRNXBCLVCEEM-KRWDZBQOSA-N 375.266 3.964 0 40 GHAB CCc1nnc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)s1 4540011 IHTXPCKREXEMBV-INIZCTEOSA-N 379.441 3.807 0 40 GHAB CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(OC)cc1OC 4778590 NSEGEZYJWSXGFH-WOAIQWADSA-N 390.524 4.000 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1nnn(Cc2ccc(Cl)cc2)c1N 4933951 RHEJFWWMTMPBLT-UHFFFAOYSA-N 376.247 3.776 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1OC 5099482 BRMLZRIZTPJVHY-UHFFFAOYSA-N 382.460 3.891 0 40 GHAB Cc1ccc(-n2ncc3c2ncn2c(-c4cccc(O)c4)nnc32)cc1Cl 5156725 CVPBVJSPIHUNOB-UHFFFAOYSA-N 376.807 3.798 0 40 GHAB CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccnc1)N(c1cc(C)on1)C3=O 5267578 JBWGTHQWIFXFHL-LJQANCHMSA-N 387.395 3.797 0 40 GHAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)OCc1nc(-c2ccccc2)no1 5301249 ILSSBVWATPSBAO-SFHVURJKSA-N 394.431 3.626 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O 5304222 DLXHAPNKOVSKAU-IRXDYDNUSA-N 375.472 3.848 0 40 GHAB O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCCc2ccccc21 5388508 OBBNGMYJNZRAGM-UHFFFAOYSA-N 379.847 3.543 0 40 GHAB CCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c(OCC)c1 5464852 SZGGGYVUXYFZGA-ICSRJNTNSA-N 380.444 3.654 0 40 GHAB CC/C(N[C@H](C)c1ccccc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 5625210 ZNYAHOXTJFADKI-AMGRQBIBSA-N 377.444 3.593 0 40 GHAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(OC)cc2)n1N 6100582 SREDVHSWHZBDSE-UHFFFAOYSA-N 398.488 3.561 0 40 GHAB COc1cc(N[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c(OC)cc1Cl 6510053 RCQMYIWTYDGSRR-NSHDSACASA-N 376.840 3.999 0 40 GHAB Cc1ccc(NC(=O)CC2=NC(=O)[C@H](CC(=O)Nc3ccccc3F)S2)cc1 6510210 FVJHAAUQVZVYSH-INIZCTEOSA-N 399.447 3.532 0 40 GHAB C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3cccc(F)c3)c2)C1 6680935 UZQKIGKZVJZGOZ-GFCCVEGCSA-N 382.482 3.560 0 40 GHAB CCOC(=O)C1=C(C)N(C)[C@]2(SC(C(C)=O)=NN2c2cccc(C)c2)S1 6810023 UUJHHXVOVUVBGK-GOSISDBHSA-N 391.518 3.535 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc2c(c1)OCO2 6839573 YAZJSFYDSOXMQA-UHFFFAOYSA-N 382.397 3.562 0 40 GHAB biogenic,in-vitro COCc1c(C(=O)OCC(=O)N2CCCC[C@H]2C)sc2cccc(F)c12 6850966 DPMSSLXPNOGEIE-GFCCVEGCSA-N 379.453 3.745 0 40 GHAB O=C(COc1ccc(Br)cc1F)NC(=O)NCCC1=CCCCC1 7200537 BICPRQLCUQOWEQ-UHFFFAOYSA-N 399.260 3.683 0 40 GHAB Cc1cc(=O)oc2c(C)c(OCC(=O)NCCc3cccc(Cl)c3)ccc12 7465438 QTFYMWJNSLIMOI-UHFFFAOYSA-N 385.847 3.801 0 40 GHAB C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 8231236 MFYPGMARWWHVKO-CYBMUJFWSA-N 381.461 3.920 0 40 GHAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccco3)c(=O)[nH]c2c1C 8582512 QBVCRPLJVXJBGJ-GOSISDBHSA-N 380.444 3.559 0 40 GHAB COc1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3c3nc(C)nn23)c1 8704147 ZMVBMBMWJOKHRU-LBPRGKRZSA-N 393.472 3.714 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1 8753356 LWINKAXBBQSDGD-UHFFFAOYSA-N 386.757 3.893 0 40 GHAB CN(C(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccccc1 8753424 MBVWKFSUQSSIGL-UHFFFAOYSA-N 393.447 3.710 0 40 GHAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)nn1C 9002393 JPMZIJFKKNDCNE-UHFFFAOYSA-N 381.436 3.719 0 40 GHAB CC(C)CCn1c(CSc2ncccn2)cc(=O)n2c3ccccc3nc12 9288181 MDPGVVYWWUZPMS-UHFFFAOYSA-N 379.489 3.778 0 40 GHAB CCCCN(Cc1cc2ccccc2[nH]c1=O)S(=O)(=O)c1ccc(C)cc1 9429256 QGHOWLAQZSEGMW-UHFFFAOYSA-N 384.501 3.828 0 40 GHAB CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCO2)c2c[nH]c3ccccc23)cc1 9469819 MADVDVQICRSPOV-DENIHFKCSA-N 377.488 3.661 0 40 GHAB CCn1nc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c2ccccc2c1=O 9751522 IAPJMVAFEZGKFX-UHFFFAOYSA-N 391.427 3.710 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc2cccnc12 10448160 DRCZYIOTEDPKIE-UHFFFAOYSA-N 381.741 3.707 0 40 GHAB Cn1/c(=N\C(=O)CCOc2ccccc2)sc2cc(Br)ccc21 11666976 JJDDSBGOHSDVJM-HTXNQAPBSA-N 391.290 3.899 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2[C@@H](C)Nc3ncnn3[C@H]2c2ccccc2F)c(C)c1 11694863 QXTCRIZODONMLD-ZMYBRWDISA-N 379.439 3.692 0 40 GHAB COC[C@@H](C)n1c(S[C@H](C)C(=O)c2ccccc2)nc2ccccc2c1=O 12003166 BFBFXYJDLGNBBO-HUUCEWRRSA-N 382.485 3.967 0 40 GHAB O=C(CCn1c(C(F)F)cc2cccnc21)N1CCC(N2CCCCC2)CC1 12187297 CVBXOMRXBSUKLR-UHFFFAOYSA-N 390.478 3.841 0 40 GHAB O=C(Nc1cccc2cnccc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 12374380 SXRLZQYFGSHATB-UHFFFAOYSA-N 395.484 3.662 0 40 GHAB CSCC[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)Nc1ccccc1 13549764 KSQRLWNDSKUAPL-MRXNPFEDSA-N 398.488 3.565 0 40 GHAB CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713082 HYAHXTDYQRQSBS-KRWDZBQOSA-N 380.897 3.832 0 40 GHAB COc1ccc2cc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)ccc2c1 14199604 SMORLMFJYFAQOY-HXUWFJFHSA-N 396.512 3.713 0 40 GHAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2nc3nccc(C)n3n2)n1 14595554 MSRHNQQZLXTFGD-UHFFFAOYSA-N 389.444 3.598 0 40 GHAB CC(C)Cn1c(SCc2nc(-c3ccccn3)no2)nc2ccsc2c1=O 16843539 FEFYWIMQADLGOR-UHFFFAOYSA-N 399.501 3.851 0 40 GHAB CCCN(CCC)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 18022033 PIPLLOPXAXUCRK-CALCHBBNSA-N 380.554 3.615 0 40 GHAB C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1cccc2nsnc12 19105591 SNHKBGVAOADACM-SNVBAGLBSA-N 390.515 3.683 0 40 GHAB COc1ccc(OCC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2cc(C)no2)cc1 19120838 SEVVMNWIRAPKES-GOSISDBHSA-N 396.447 3.514 0 40 GHAB O=C(CCCc1nc(-c2cccnc2)no1)N1CCC[C@@H](Cc2ccccc2)C1 19370558 ZXXOPNIIMPHHRU-IBGZPJMESA-N 390.487 3.936 0 40 GHAB COc1cc(C)c(CN2CCC([C@H](NC(C)=O)c3ccccn3)CC2)cc1C 19567264 ALEWXPPXXSTKKP-QHCPKHFHSA-N 381.520 3.796 0 40 GHAB COc1ccc(OC)c(CN2Cc3ccccc3OC3(CCN(C)CC3)C2)c1 19588416 RSOKPZBCSIKEOJ-UHFFFAOYSA-N 382.504 3.563 0 40 GHAB CCCCOc1ccc(C(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc1 19902170 KLJPESFRBHWANT-UHFFFAOYSA-N 387.568 3.546 0 40 GHAB COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccccc2OC)CC(O)=N3)cc1 20716195 UTPZATPIURUQKN-QGZVFWFLSA-N 392.415 3.739 0 40 GHAB CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccccc1Cl 22311621 YYRHXVMNNDPDIE-MJGOQNOKSA-N 387.863 3.843 0 40 GHAB CC(C)OC(=O)C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1Cl 22311638 YYRHXVMNNDPDIE-PKOBYXMFSA-N 387.863 3.843 0 40 GHAB COc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(OC)c1 22989865 FCOBSWNARZSGCX-UHFFFAOYSA-N 379.338 3.711 0 40 GHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1 23458595 ZOOMDAUBTHJHAH-UHFFFAOYSA-N 396.487 3.959 0 40 GHAB COc1cc(C)c(CN(C)C(=O)/C=C/c2ccc3c(c2)OCCCO3)cc1OC 25052788 XQOAMCAYTYYWJR-VQHVLOKHSA-N 397.471 3.845 0 40 GHAB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c2cccnc12 26070795 AGHYIXKDBLIXFA-IBGZPJMESA-N 375.428 3.913 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 27382235 HTVVIGQPOGFJBI-RDJZCZTQSA-N 399.491 3.933 0 40 GHAB COc1ccc(-c2nsc(NC(=O)COc3ccccc3C)n2)cc1OC 27662364 SWQBJWPDRAURIX-UHFFFAOYSA-N 385.445 3.548 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)Oc2ccc(-c3nc(C)cs3)cc2)c1 28046926 LSCMSEXRPDFDPD-UHFFFAOYSA-N 389.454 3.673 0 40 GHAB O=C1COc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)ccc2N1 32854814 QOJZDLPKOCOVJB-UHFFFAOYSA-N 380.400 3.701 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(F)c(C)c3)ccc21 35588158 LNZUQXXCFUDGRR-UHFFFAOYSA-N 390.524 3.818 0 40 GHAB O=C(C(c1ccccc1)c1ccccc1)N1CC(=O)N2CCc3ccccc3[C@H]2C1 36070971 QFWBXXVTCMPWFB-HSZRJFAPSA-N 396.490 3.787 0 40 GHAB COc1cc(OC)cc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1 36360366 SKLKFWBCMPRMOB-CQSZACIVSA-N 399.838 3.765 0 40 GHAB O=C(Cn1c(-c2cnccn2)nc2ccccc21)Nc1ccc(F)c(Cl)c1 36708672 VWZFOAKOIPUQEM-UHFFFAOYSA-N 381.798 3.925 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)NCCOc1cccc2cccnc12 38680952 STONKWKHGFIJOH-UHFFFAOYSA-N 378.457 3.599 0 40 GHAB Cc1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(C)n1 39536619 YWMDBXSGBJFSMT-UHFFFAOYSA-N 381.276 3.784 0 40 GHAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1SC[C@H]1CCCO1 39982784 IICPPWNVKSXDMZ-QGZVFWFLSA-N 399.512 3.701 0 40 GHAB Cc1nc2ccc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2nc1C 40012782 JZSVJZZYOSZTOJ-HXUWFJFHSA-N 378.476 3.797 0 40 GHAB CN(C)[C@@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1Cl 40050644 DCCFSUIDWZDUIS-SFHVURJKSA-N 386.858 3.902 0 40 GHAB COc1ccccc1OCc1ccc(C(=O)NC[C@H]2Cc3ccccc3O2)o1 40133576 OBCPMDISVYRYKG-QGZVFWFLSA-N 379.412 3.601 0 40 GHAB Cc1cccc(C(=O)NCCCC(=O)Nc2ccc(Br)cc2)c1 41157377 XXQLVQSZMIZITP-UHFFFAOYSA-N 375.266 3.906 0 40 GHAB Fc1ccc(NC(=S)NC2CCN(Cc3ccccn3)CC2)cc1Cl 44222107 OADNFXGNRSYTNY-UHFFFAOYSA-N 378.904 3.825 0 40 GHAB O=C(NC(C1CC1)C1CC1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 48277716 FVMXNIYZCFXGFI-UHFFFAOYSA-N 394.437 3.862 0 40 GHAB CCN(CC)CCN(CC(C)C)C(=O)CCc1nnc(-c2ccsc2)o1 48964865 FJYBSOSGRCILHM-UHFFFAOYSA-N 378.542 3.557 0 40 GHAB O=C(N[C@H]1CCCOc2ccc(F)cc21)c1nc(N2CCCC2)ncc1Cl 54282603 IVNVOSQGIVZPRG-HNNXBMFYSA-N 390.846 3.513 0 40 GHAB O=C(O)c1cc(S(=O)(=O)N(Cc2ccco2)c2cccc(F)c2)ccc1F 55621739 RPIUUMVVKCXISE-UHFFFAOYSA-N 393.367 3.652 0 40 GHAB CCn1c(SCC(=O)N(C)c2cccc(Cl)c2)nc2ccsc2c1=O 57425061 ZSXPHLWFWQENRU-UHFFFAOYSA-N 393.921 3.886 0 40 GHAB CCCCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2cc(C)[nH]c2c1=O 67299488 XDKFVNDMILPHTH-OAHLLOKOSA-N 398.532 3.803 0 40 GHAB CC[C@H](C)n1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2cc(C)[nH]c2c1=O 67299547 IIBATPGHLWQKCK-GJZGRUSLSA-N 398.532 3.974 0 40 GHAB CN1CCC(C(=O)N2CCC[C@@H](c3cccc(Cc4cccc(F)c4)n3)C2)CC1 72350399 YTVWJWIRGJXBQB-HXUWFJFHSA-N 395.522 3.859 0 40 GHAB Oc1cc(C2CCN(Cc3ccc(F)cc3F)CC2)nc(-c2ccncc2)n1 72392712 GNJRCAADKHLRLC-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCC[C@@H](O)c2cccc3ccccc23)cc1Cl 77118601 XAXZIOPSLLYUFO-HXUWFJFHSA-N 396.874 3.980 0 40 GHAB Cc1c([C@H](C)NCc2cc(-c3cccnc3)n[nH]2)cnn1-c1ccc(F)cc1 78998946 KIYCRSZYGGHXGV-AWEZNQCLSA-N 376.439 3.956 0 40 GHAB COC(=O)[C@@H](C)[C@H](NCc1coc(-c2ccc(OC)cc2)n1)c1ccccc1 79025894 DLCMCPUVISGIKZ-YWZLYKJASA-N 380.444 3.990 0 40 GHAB COC(=O)[C@H](C)[C@H](NCc1coc(-c2ccc(OC)cc2)n1)c1ccccc1 79025901 DLCMCPUVISGIKZ-QRWLVFNGSA-N 380.444 3.990 0 40 GHAB CSc1ccc(NC(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1F 79058778 SRMOPUOCHOXUAB-ZFWWWQNUSA-N 396.509 3.966 0 40 GHAB COc1ccc2c(CC(=O)N(C)C3CCN(c4ccccn4)CC3)coc2c1 83855702 SVPMORZFUZGXRA-UHFFFAOYSA-N 379.460 3.506 0 40 GHAB NC(=O)c1c(NC(=O)COCc2ccccc2Cl)sc2c1CCCCC2 89814009 CVDABEVTNHMLIG-UHFFFAOYSA-N 392.908 3.925 0 40 GHAB O=C(CCSc1ccccc1Br)N1CCCN2CCC[C@@H]2C1 95392647 IHSAIAPZOWDHKG-CQSZACIVSA-N 383.355 3.628 0 40 GHAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1O 95480554 CXILLNLOENIVOB-KRWDZBQOSA-N 389.477 3.820 0 40 GHAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cnn(C(C)C)c2)S1 96116649 IDGNWFWFGBWZNU-ZBFHGGJFSA-N 389.525 3.970 0 40 GHAB CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(SC(C)C)cc2)CC1 96374384 XGLGXDNXFKGXGT-UHFFFAOYSA-N 397.606 3.791 0 40 GHAB Cc1noc2nc(C(C)C)cc(C(=O)NCc3cn4cc(Cl)ccc4n3)c12 97087433 NXTWBAKHOOEUKD-UHFFFAOYSA-N 383.839 3.886 0 40 GHAB COc1ccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1C 100750269 XBCFNOYBBOKJMG-HFJQGTKSSA-N 381.520 3.564 0 40 GHAB C[C@@H]1ON=C(c2ccccc2Cl)[C@@H]1C(=O)NCCOc1ccc(Cl)cc1 104529450 YUXYPQVRJXOKMX-YVEFUNNKSA-N 393.270 3.928 0 40 GHAB Cc1cccc(N(CCCC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1C 113962550 XUXSRDQNSKLACY-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB C[Si](C)(C)c1nc(I)cc(C(F)(F)F)c1Cl 195883231 RSFVGFVIVCXEFO-UHFFFAOYSA-N 379.623 3.904 0 40 GHAB O=C(O)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1NC1CCCC1 217582437 DUSAYKASFIFCPK-UHFFFAOYSA-N 380.510 3.740 0 40 GHAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 219315627 DBBISKYABBYNQI-QGZVFWFLSA-N 381.432 3.527 0 40 GHAB CCSc1ccccc1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220487179 DHCNQLPMPWBWLO-CYBMUJFWSA-N 396.509 3.731 0 40 GHAB Cc1cc(C)c(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c(C)c1 223348540 CZJORDYADOSLPB-UHFFFAOYSA-N 380.853 3.511 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1 224516549 XONAFOFBAXXWBG-OAQYLSRUSA-N 382.504 3.645 0 40 GHAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1cccc(OC)c1 224585885 IXHOUIWYBCEFPG-HXUWFJFHSA-N 385.460 3.582 0 40 GHAB COC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(SC)cc1 224988450 SZAGXTANXGIADY-UHFFFAOYSA-N 393.530 3.702 0 40 GHAB CC(C)[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 225186881 QXKCBDDQHQANNU-HNNXBMFYSA-N 394.924 3.696 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225212302 VPVDKWYAFHVEPG-ZDUSSCGKSA-N 379.287 3.699 0 40 GHAB O=C(Cc1cccc(F)c1)N1CCC2(CC1)OCC[C@H]2CCOCC1CC1 247878881 UVRAHLORGGUENQ-LJQANCHMSA-N 375.484 3.583 0 40 GHAB COc1ccc(C[C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccnc(C)n2)cc1 247967182 RCPXHLIOHZPTAJ-ZLNRFVROSA-N 381.520 3.532 0 40 GHAB O=C(NC[C@@H]1CCCOC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257241113 HWQRGQCVHCSHJP-FQEVSTJZSA-N 394.515 3.631 0 40 GHAB O=C(Nc1nc2ccccc2s1)C1CN(c2cc(-c3ccccc3)ncn2)C1 390829574 ZVLRUSFFPUSPND-UHFFFAOYSA-N 387.468 3.828 0 40 GHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2O[C@H](C)CC)C1=O 409015220 YZCJUZIZHCSRMD-BPLGGGKVSA-N 377.462 3.852 0 40 GHAB Cc1cnccc1OC1CCN(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)CC1 563906085 ARZMTUVHISNZJR-HNNXBMFYSA-N 379.464 3.580 0 40 GHAB O=C(c1ccc(Br)o1)N1CCC[C@@H](Oc2ccncc2Cl)C1 575604605 AEYBDUMMBYKKDR-SNVBAGLBSA-N 385.645 3.774 0 40 GHAB CCN(CC)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1 585235069 NZWDTBJBRYCGLD-GOSISDBHSA-N 381.524 3.795 0 40 GHAB COc1ccc(-c2noc([C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)n2)cn1 624435861 AFVJCDAIRJEMMR-IUODEOHRSA-N 377.322 3.790 0 40 GHAB C[C@H](N)C1CCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 646688513 LLBZRYSUYRWNQB-LBPRGKRZSA-N 397.466 3.957 0 40 GHAB NCC1CCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 654828982 SYRSZKIUBBNXIF-UHFFFAOYSA-N 383.439 3.569 0 40 GHAB O=C(c1cc(Br)cs1)N1CC[C@H](COc2ccc(F)cn2)C1 1889139403 DPUDAMMECURXMG-JTQLQIEISA-N 385.258 3.586 0 40 GHAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 640199 DLPSCQCZWVNVAH-MRXNPFEDSA-N 384.501 3.587 0 40 GHAB CCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O 875265 WGDQUKCQKLJQQP-UHFFFAOYSA-N 383.492 3.872 0 40 GHAB O=C1c2ccccc2[C@@]2(Br)C(=O)c3ccccc3[C@@]12Br 1745498 DKURMNDEKYFQTB-HZPDHXFCSA-N 392.046 3.960 0 40 GHAB Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](CC(C)C)C(=O)O)c(C)c3cc12 2108347 PCCIXNXLNWQTIC-KRWDZBQOSA-N 399.443 3.704 0 40 GHAB biogenic CCCCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2290354 VSHCMBLXVJVNNX-UHFFFAOYSA-N 387.487 3.939 0 40 GHAB O=C(Nc1ccccc1C(=O)N1CCSCC1)C(Cl)=C(Cl)Cl 2565070 PYJQEOLMOIMWIS-UHFFFAOYSA-N 379.696 3.700 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cc(F)c(F)cc1Cl 2664681 XLLNASHZBLXPIB-LBPRGKRZSA-N 381.806 3.913 0 40 GHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(F)cc1 3341121 HRDXJTHZAVDUMD-UHFFFAOYSA-N 388.439 3.712 0 40 GHAB COC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(c4ccccc4)C3=O)o2)cc1 3639660 XCZLHOFRDWSRCH-QGOAFFKASA-N 388.379 3.831 0 40 GHAB Cc1c(-c2nnc(Nc3ccccc3)s2)sc2nc3n(c(=O)c12)CCC3 4371897 ZHSFKLQRKHPERJ-UHFFFAOYSA-N 381.486 3.975 0 40 GHAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)C[C@@H]1COc2ccccc2O1 5118862 DNRIDEVNQBAYAR-TZMCWYRMSA-N 378.831 3.578 0 40 GHAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCCC[C@H]4C)c(=O)c23)s1 5352122 YYNAUQAOESSXPA-GFCCVEGCSA-N 387.530 3.896 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(C)c(C)c2)cc1 5392164 GWUALHPCKNYPKU-OAHLLOKOSA-N 395.488 3.601 0 40 GHAB CCCOc1ccc(Cl)cc1[C@@H]1C(C(=O)OC)=C(C)N=C2SCC(=O)N21 5864900 DDDFSGGLZULVOJ-MRXNPFEDSA-N 394.880 3.562 0 40 GHAB Cc1ccc(OCC(=O)NC(=O)Nc2ccccc2F)c(Br)c1 6345963 SLMHYVYMIKAQFF-UHFFFAOYSA-N 381.201 3.624 0 40 GHAB COc1ccc(CNC(=O)CSc2nc3ccc(Cl)cc3o2)cc1OC 6399459 XAZLDRNBDQOTQE-UHFFFAOYSA-N 392.864 3.907 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 6486590 CGKRIFFGNMDERS-UHFFFAOYSA-N 389.407 3.722 0 40 GHAB O=C1c2cccc(NC(=O)C(Cl)(Cl)Cl)c2C(=O)N1c1ccccc1 6529817 JAAIWBVHHVRJAL-UHFFFAOYSA-N 383.618 3.796 0 40 GHAB COc1ccc(CC(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1OC 6586437 AYSRQSAAFAJBRI-HHXXYDBFSA-N 392.492 3.794 0 40 GHAB O=C(Nc1ccccc1)c1cc(S(=O)(=O)NCc2cccs2)cs1 6681711 YRRQQSHOYSGYAZ-UHFFFAOYSA-N 378.500 3.540 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccc(F)c1 6946534 FJHFADGMIFWQCH-UHFFFAOYSA-N 376.453 3.643 0 40 GHAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccc(Br)c1 7062509 VYLXQQGOUHMMAL-UHFFFAOYSA-N 389.249 3.593 0 40 GHAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCc3ccc(F)cc3)o2)c1 7540659 DSJXFRNYQCTZOE-UHFFFAOYSA-N 397.402 3.949 0 40 GHAB Cc1cccc(-n2nnnc2S[C@@H](C(=O)N2CCCC2)c2ccccc2)c1C 7686500 DSHXDTUSEPEAPM-LJQANCHMSA-N 393.516 3.735 0 40 GHAB COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 7737844 LCAMNSYTTQMJHP-KRWDZBQOSA-N 386.879 3.517 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)c1C 7904818 AYEYYKLRXCRRKZ-NSHDSACASA-N 388.493 3.585 0 40 GHAB CCc1sc(C(=O)OCC(=O)Nc2cc(C)nn2-c2ccccc2)cc1C 8327244 PLKJJBMYZXWCKD-UHFFFAOYSA-N 383.473 3.909 0 40 GHAB Cc1ccc(CN(C)C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 8344141 ULJSYBKDUSWVHQ-UHFFFAOYSA-N 387.439 3.618 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)N(C)C3CCCCC3)C(=O)[C@H]2C1 8473335 CENLOLOOTIPFRF-MJGOQNOKSA-N 380.488 3.937 0 40 GHAB COCCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(C)c(Cl)c2)n1 8477002 UBNDYTINAYRCJR-UHFFFAOYSA-N 398.894 3.971 0 40 GHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(C(C)=O)c4)ccc1c23 8715869 GUQFBNIBOLNMAM-UHFFFAOYSA-N 394.452 3.823 0 40 GHAB CCOc1ncccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(OC)c1 8752649 MQOWYHXRVGANNW-UHFFFAOYSA-N 391.427 3.994 0 40 GHAB Cc1ccc(C)c(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1 9224628 WPCKARGXRCAPPL-UHFFFAOYSA-N 378.925 3.910 0 40 GHAB O=S(=O)(Cc1ccccc1)Nc1nnc(CSc2ccccc2)s1 9356471 QZEMFKQGGWQEIF-UHFFFAOYSA-N 377.516 3.772 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1 9983273 RVKXNZOHCKWLLV-LFYBBSHMSA-N 379.456 3.839 0 40 GHAB CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 10153444 GWOPCEDGRIZJJM-INIZCTEOSA-N 395.850 3.683 0 40 GHAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)cc1 10253025 HHZWWPVLVWPXCK-UHFFFAOYSA-N 392.527 3.846 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccc(C)c(-n3cccc3)c2)cc(C(=O)OC)c1 11329632 FMUFSKUIULJSBS-UHFFFAOYSA-N 392.411 3.611 0 40 GHAB Cc1ccccc1C1(O)CCN(Cc2cn(CCCO)c3ccccc23)CC1 12118287 KFAMWNJDFGXLND-UHFFFAOYSA-N 378.516 3.816 0 40 GHAB COc1cc2c(cc1CN1CCC(NC(C)=O)(c3ccccc3F)CC1)CCC2 12292954 FQUWQEJNVZJCIX-UHFFFAOYSA-N 396.506 3.950 0 40 GHAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1c(Cl)cccc1Cl 12552618 SCXABNMHKXSIAP-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB O=C(Nc1cccc2cn[nH]c12)c1ccc(=O)n(Cc2ccccc2Cl)c1 12798094 MWTUDMQITCMQKD-UHFFFAOYSA-N 378.819 3.679 0 40 GHAB CN1N=C(C(=O)Nc2nc(-c3cc4cc(Cl)ccc4o3)cs2)CCC1=O 12873089 MFADNOFWIJWCNG-UHFFFAOYSA-N 388.836 3.756 0 40 GHAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cc3ccccc3o2)C[C@@H](C)O1 13011802 NGTFGTCVSNBNCT-GASCZTMLSA-N 378.428 3.935 0 40 GHAB COc1cc(CCNCc2ccc(OC)c(OC)c2OC)ccc1OC(F)F 14184364 RQQWHDLTTXIHIJ-UHFFFAOYSA-N 397.418 3.655 0 40 GHAB COc1ccc(CC(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1OC 14198223 GEULAUOKWWKGMB-UHFFFAOYSA-N 385.851 3.783 0 40 GHAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCCCCC1 14248570 NQEVIQZXVZSZIA-HSZRJFAPSA-N 377.488 3.510 0 40 GHAB Nc1c(Cl)cc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1Cl 14304733 UELSUDRCBFRVND-UHFFFAOYSA-N 378.219 3.592 0 40 GHAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1ccco1 15673300 RASVUAQFTWFKPG-IRXDYDNUSA-N 397.450 3.548 0 40 GHAB biogenic,in-vitro COc1ccc(CNC(=O)[C@@H](OC(=O)c2ccco2)c2ccc(F)cc2)cc1 15936150 GOJHOPUISOOSRX-IBGZPJMESA-N 383.375 3.642 0 40 GHAB O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)c1c[nH]c2ccccc12 18031239 ZGAHMRBQAVKWPK-UHFFFAOYSA-N 397.481 3.703 0 40 GHAB Cc1cc(C)c2nc(NC(=O)CN3C(=O)CSc4ccccc43)sc2c1 18114993 AKWKXNQNXAHGNP-UHFFFAOYSA-N 383.498 3.991 0 40 GHAB O=C(COc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1)c1ccc(F)cc1 18241385 VAIIDLJAFZXCMF-KDURUIRLSA-N 381.403 3.767 0 40 GHAB COc1ccc(C)cc1CN1CCC2(CC1)OCCc1cnc(C(C)C)nc12 19133376 NQZNRRSVMJQPOM-UHFFFAOYSA-N 381.520 3.981 0 40 GHAB COc1ccc(NC(=O)c2cc(C3CCN(C(=O)C4CCCC4)CC3)no2)cc1 19556672 RPKCUBNLIFDBET-UHFFFAOYSA-N 397.475 3.832 0 40 GHAB Cn1cc(-c2csc(NC(=O)Cc3cccnc3)n2)c(-c2ccc(F)cc2)n1 19697060 MLOSFPUHFCDXNJ-UHFFFAOYSA-N 393.447 3.926 0 40 GHAB Cc1cccn2c(=O)c(C(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)cnc12 19714714 LKHYUMFGEFQBIY-KRWDZBQOSA-N 390.487 3.630 0 40 GHAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2o1 19936389 REBQYLMXKPVZNS-UHFFFAOYSA-N 382.397 3.714 0 40 GHAB COc1ccc([C@H](CNC(=O)C2=C(c3ccccc3)SCCO2)N(C)C)cc1 20738904 PHTQGBAPPXZNJU-IBGZPJMESA-N 398.528 3.546 0 40 GHAB O=C(Cn1c(SC(F)F)nc2ccccc21)Nc1ccc2c(c1)OCO2 20889687 PNOOFXUJDNPANN-UHFFFAOYSA-N 377.372 3.718 0 40 GHAB C[C@H]1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)c2ccccc2S1 22256391 FQZFSPPSPLYDFZ-AWEZNQCLSA-N 380.469 3.871 0 40 GHAB Cc1cc(C)cc(N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 22329389 YOZIPQOLEKOFTI-SFHVURJKSA-N 388.533 3.564 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2cccc3ccccc23)N2CCOCC2)cc1 22686331 WJSBEYWEYFUBRU-HSZRJFAPSA-N 390.483 3.652 0 40 GHAB Clc1ccc(CN(CCN2CCOCC2)Cc2cccnc2)c(Cl)c1 22931391 QXUDFBAURFJXQK-UHFFFAOYSA-N 380.319 3.723 0 40 GHAB Cc1nc(C)c(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)n[nH]2)s1 23125545 GGCDEWHGJDIASH-UHFFFAOYSA-N 395.532 3.544 0 40 GHAB O=C(Nc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1)[C@@H]1CCCO1 24426408 VOSSXAVLQYTSHX-QFIPXVFZSA-N 392.499 3.899 0 40 GHAB COc1cc(C(=O)N(C)Cc2cnn(C)c2)ccc1OCc1ccc(Cl)cc1 24472044 UINOXYMSJRZNNS-UHFFFAOYSA-N 399.878 3.933 0 40 GHAB Cn1ccnc1[C@H](NC(=O)CSCCc1ccccc1)c1cccc(F)c1 24830598 QZHMRSKNELOGRP-HXUWFJFHSA-N 383.492 3.741 0 40 GHAB COc1ccc(CC(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1F 24903339 PNGWKWNWBJEWRC-UHFFFAOYSA-N 380.423 3.559 0 40 GHAB CC(=O)Nc1cc(C(=O)CSc2nccn2-c2cccc(C)c2)ccc1O 26046651 TZUSGKYMXBUADT-UHFFFAOYSA-N 381.457 3.820 0 40 GHAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 26539241 XSEXWLBVUIVOJH-UHFFFAOYSA-N 393.270 3.680 0 40 GHAB O=C(CCc1cccc(F)c1)NC[C@H](c1ccccc1Cl)N1CCOCC1 29806665 HWHWOYSRJQUGOO-HXUWFJFHSA-N 390.886 3.601 0 40 GHAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 32627720 VMJZEAVODRJVER-UHFFFAOYSA-N 380.897 3.931 0 40 GHAB O=C(CCc1cccc(F)c1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 32930203 UCDFFFQBWLECIV-UHFFFAOYSA-N 395.400 3.957 0 40 GHAB CC(=O)c1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)cc1 36364944 RIIKIBZAWRQYJF-UHFFFAOYSA-N 381.359 3.813 0 40 GHAB CCOC(=O)[C@H]1CCCN([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 36389740 SEOZXBYPFJRBGM-FPOVZHCZSA-N 380.488 3.950 0 40 GHAB O=C(c1cc2ccccc2oc1=O)N1CCC(Cn2cnc3ccccc32)CC1 38533688 GCXJSDHWLVRGRF-UHFFFAOYSA-N 387.439 3.695 0 40 GHAB COC(=O)c1ccc(-c2csc(NC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 38550458 HDYNALREQDAYJZ-UHFFFAOYSA-N 397.412 3.969 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 38754832 UMIYSCOIFQNQSS-HNNXBMFYSA-N 394.924 3.600 0 40 GHAB O=C(Nc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1)c1cccnc1 40074391 GHBJHYURUQTDTF-UHFFFAOYSA-N 385.379 3.693 0 40 GHAB O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1CCCN1C(=O)c1ccco1 40093548 SXCUCZZRUZSYBY-HXUWFJFHSA-N 390.439 3.993 0 40 GHAB CCOc1ccc(CN(C)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 40104591 QWBIQOYOSLZZQG-UHFFFAOYSA-N 381.476 3.985 0 40 GHAB COC1CCN(Cc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)CC1 40152329 YAYKSPWPZPURCW-UHFFFAOYSA-N 391.515 3.751 0 40 GHAB COc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1F 44014391 SKERZCGIBMONKG-AWEZNQCLSA-N 385.439 3.953 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2F)nc(N2CCC[C@H](C)C2)n1 44168431 JEKWWKXDACABRL-LBPRGKRZSA-N 392.862 3.831 0 40 GHAB Cc1cc(C)n(C[C@@H](C)CNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)n1 48302538 ODNHTGMYQKPPLJ-LBPRGKRZSA-N 377.554 3.657 0 40 GHAB COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccc(NC(C)=O)cc3)C2)o1 49170063 MBXNEGRYIVJKEM-KRWDZBQOSA-N 392.459 3.693 0 40 GHAB biogenic,in-vitro Cc1nc(C)c(COC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)s1 58304862 WLZPKJXKHPTDHR-CMDGGOBGSA-N 384.501 3.755 0 40 GHAB CC(C)(C)OC(=O)N1CCC2(CC1)N=C(c1cccc(Cl)c1)C(=S)N2 67172593 NBDZTWQVZGXEIZ-UHFFFAOYSA-N 379.913 3.787 0 40 GHAB Cc1ccc(Nc2nc(C)c(C(=O)NCCCN3CCCC3=O)s2)c(C)c1 71326672 CQBIDNBHLRTBPW-UHFFFAOYSA-N 386.521 3.554 0 40 GHAB O=C(Cc1cc2c(cc1Br)OCCO2)Nc1nc(C2CC2)cs1 71869140 ONFJJTMXQHMOFL-UHFFFAOYSA-N 395.278 3.735 0 40 GHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)c2cccnc2)n1 72376940 LHKZZCPNPXPUBR-SFHVURJKSA-N 377.423 3.627 0 40 GHAB Cc1cc(=O)c(OCC(=O)Nc2cccc3c2ccn3Cc2ccccc2)co1 72405926 PDIXWUZZAJYZGQ-UHFFFAOYSA-N 388.423 3.969 0 40 GHAB CN(c1nc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cs1)C1CC1 79105547 HHJNZIQUWHVHNQ-UHFFFAOYSA-N 396.560 3.799 0 40 GHAB C[C@@H](NC(=O)/C=C/c1cc(Br)cs1)[C@@H](O)Cc1ccccc1 84139695 SQKYUSHIAPEODH-ASWLPBJDSA-N 380.307 3.632 0 40 GHAB CCc1ccc(C(=O)CCC(=O)NCc2ccccc2-c2cnn(C)c2)cc1 89284711 CECWLMCTTDMLSP-UHFFFAOYSA-N 375.472 3.929 0 40 GHAB COc1ccccc1CCNC(=O)c1cnc(C)c(Cl)c1Br 89505471 FIWHEMMYAAIEAL-UHFFFAOYSA-N 383.673 3.787 0 40 GHAB O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CCO[C@]2(CCc3ccccc32)C1 89858068 PXARUFYJCWLATP-JOCHJYFZSA-N 393.874 3.840 0 40 GHAB Cc1nn(C)c(Oc2cccnc2)c1CN1CCN(c2cc(F)ccc2F)CC1 93393689 NBFWMQNEPJAHFI-UHFFFAOYSA-N 399.445 3.516 0 40 GHAB CN1CCCC12CCN(C(=O)c1cnn(-c3ccc(Cl)cc3Cl)c1)CC2 95464780 PDEBHTWEYPGOLN-UHFFFAOYSA-N 393.318 3.880 0 40 GHAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCOCC2)c(OC)c1 95472953 ZXAJLTBZVBJKRS-KRWDZBQOSA-N 389.477 3.844 0 40 GHAB O=C(Nc1ncccc1OC(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1 95946644 HHWBCAXAYGMRCW-UHFFFAOYSA-N 396.415 3.652 0 40 GHAB Cc1ccc(-c2noc(CSCC(=O)NCc3ccc(F)cc3)n2)cc1F 95948530 VUELUDIZQIKFCL-UHFFFAOYSA-N 389.427 3.873 0 40 GHAB COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@H]2CCC[C@@H]2C1 95965050 OEIBZPYPNRCBQS-NXEZZACHSA-N 394.718 3.532 0 40 GHAB Cc1cccc(NC(=O)N2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)c1 96090015 TZARZCKYAZXELM-JOCHJYFZSA-N 392.459 3.777 0 40 GHAB COc1cc(C2=N/C(=C/C3=Cc4ccccc4OC3)C(=O)O2)ccc1OC(F)F 96935666 RPQSCRYDQBCRQB-OQLLNIDSSA-N 399.349 3.960 0 40 GHAB Cc1ncc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)s1 97726961 UCVNNMQZWVMDOX-HNNXBMFYSA-N 398.315 3.679 0 40 GHAB O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1ccccc1C(F)(F)F)C=C(c1ccccc1)N2 100943326 OTFRMNWTERXHAM-CYBMUJFWSA-N 385.345 3.681 0 40 GHAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cc(Br)cs1 206713170 RKTOCIABGRQLAU-NSHDSACASA-N 394.212 3.993 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1ccnc1-c1cccnc1 217867141 AWFZCMHPPYSYOQ-UHFFFAOYSA-N 384.867 3.572 0 40 GHAB CCOc1ccc(CCCNC(=O)COc2ccc(Br)cc2)cc1 218817824 XXTBOMBOMJFZPF-UHFFFAOYSA-N 392.293 3.976 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C)cc1 220147177 BXUWJAWVEIDVFQ-FXAWDEMLSA-N 388.533 3.725 0 40 GHAB COC(=O)c1cc(S(=O)(=O)NCc2cccc3ccccc23)ccc1Cl 222893086 VLSDWKGSYRYISC-UHFFFAOYSA-N 389.860 3.758 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc21 223110924 GFMICIIXXQNYTI-UHFFFAOYSA-N 385.489 3.893 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)c(Cl)cc21 223361908 XDLQUXQHXXUVNL-UHFFFAOYSA-N 380.853 3.685 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1cccc(C)c1 225439480 NCLLHXATMBAUNU-INIZCTEOSA-N 388.508 3.531 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 225750233 SQSROBXRLOLVRB-PGRDOPGGSA-N 396.531 3.960 0 40 GHAB Cc1cc(-c2ccccc2C(=O)O)nc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257272321 NBZCMYMMPJOAPD-OAHLLOKOSA-N 381.476 3.902 0 40 GHAB COCCC(=O)N[C@@]1(C)C[C@H](c2ccccc2OC)O[C@@H]2C[C@H](C)CC[C@H]21 257328626 XGLWHSRHQIJLCR-HLFOTMJVSA-N 375.509 3.873 0 40 GHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccncc2)S1 260781605 UAQUQCMOTDNAQC-UIAACRFSSA-N 375.501 3.916 0 40 GHAB O=C(c1cccc(OC(F)(F)F)c1)N1CC(N2CCc3sccc3C2)C1 390827822 KROWMJVQNUSZIE-UHFFFAOYSA-N 382.407 3.529 0 40 GHAB COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(C)c4ccccc4)[C@H]3C2=O)c1 409367753 FEIUPXHACAFTJR-SEIRJHJZSA-N 399.446 3.868 0 40 GHAB CCN(CC)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 409383711 BRZVDEVTDSHRRO-UHFFFAOYSA-N 394.924 3.712 0 40 GHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H](Oc2ccccc2)C1 500106503 CWWPHXXWPAZFJH-INIZCTEOSA-N 385.407 3.938 0 40 GHAB Cc1ccc(-c2cnc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)s2)c(C)c1 529099581 CUDBFUBVKFEMMO-CFAZGSRYSA-N 389.546 3.944 0 40 GHAB O=S(=O)(NCc1nccnc1-c1ccsc1)c1ccc2c(c1)CCCC2 575618404 HNONGXASENRBFN-UHFFFAOYSA-N 385.514 3.562 0 40 GHAB CS(=O)(=O)c1cc(NC(=O)NC2(c3c(F)cccc3F)CCC2)ccc1F 626578965 XJENUXHMOIVDDU-UHFFFAOYSA-N 398.406 3.708 0 40 GHAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1ncc2c(n1)CCCC2=O 629200508 NRCKACTYUHUVTQ-UHFFFAOYSA-N 383.517 3.915 0 40 GHAB CCn1c(CN2CC[C@@](C)(c3cccc(OC)c3)C2)nc2cc(C(=O)O)ccc21 656765063 IKYSJOIIXYSUOF-HSZRJFAPSA-N 393.487 3.927 0 40 GHAB O=C(Nc1cnc(Cl)c(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccccc2)C1 1130036931 YAPNHIMEEWAWKF-JTQLQIEISA-N 383.757 3.745 0 40 GHAB Cc1oc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 1132055324 OJGAHWWHPJDCEE-UHFFFAOYSA-N 395.440 3.787 0 40 GHAB Brc1cnccc1O[C@@H]1CCN(c2nc3cnccc3s2)C1 1888876274 CHZBSFKNVACVSW-SNVBAGLBSA-N 377.267 3.507 0 40 GHAB O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccs1 47459840 ZZZIOVSDUSLJIA-UHFFFAOYSA-N 397.466 3.709 0 40 GHAB COc1ccc([C@H](NC(=O)Cc2ccc3c(c2)CCCC3)c2nccn2C)cc1 24025656 QBJFZJOWZDXFQV-QHCPKHFHSA-N 389.499 3.756 0 40 GHAB C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Br)c2C(N)=O)C1 799277 YNEHFZNKFOZSIM-SECBINFHSA-N 393.306 3.987 0 40 GHAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2N)n1C 1364445 XWYRSYNBSHNLFX-UHFFFAOYSA-N 381.505 3.666 0 40 GHAB CC1CCN(C(=O)CSc2nnc3c(n2)[nH]c2ccc(C(C)C)cc23)CC1 1366251 SNUALJYOVMZXFS-UHFFFAOYSA-N 383.521 3.980 0 40 GHAB Cc1nc(CNS(=O)(=O)c2cnn(C(C)C)c2)oc1-c1ccc(Cl)cc1 79092370 GIXVUJFNENEHOG-UHFFFAOYSA-N 394.884 3.559 0 40 GHAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)C(C)(C)C)cc1 72310150 DQXDRBXGCFSTSG-CYBMUJFWSA-N 376.526 3.947 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1 3131804 JWWBUQOOMIMVMT-UHFFFAOYSA-N 383.267 3.517 0 40 GHAB CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(C)cc3C)n2)cc1 4130061 OGFWQVYGOPZQRU-UHFFFAOYSA-N 379.464 3.775 0 40 GHAB CCOc1ccc(NC(=S)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 4857662 HLZNUNKUNAYNTD-UHFFFAOYSA-N 397.544 3.985 0 40 GHAB CCCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 6396455 XMIJNZJXYQHNQG-NWDGAFQWSA-N 381.494 3.720 0 40 GHAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CCCc2cccs2)cc1 8088236 MWJLGCHFPJDZAI-UHFFFAOYSA-N 380.535 3.738 0 40 GHAB COc1cc(C(=O)OCc2ccccc2)c(Br)c(OC)c1OC 1787461 FXQQDALCOHNDFS-UHFFFAOYSA-N 381.222 3.832 0 40 GHAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(C)C)c2)c1=O 57427294 CKSUFHSQLCQVKK-UHFFFAOYSA-N 399.516 3.787 0 40 GHAB COc1ccccc1NC(=O)Cn1c(-c2cccc(Cl)c2)nc(C)cc1=O 57526692 XFLZKSFALBDDML-UHFFFAOYSA-N 383.835 3.519 0 40 GHAB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccccc2)CC1 10010461 YESMBKMLGPLPLU-ZHACJKMWSA-N 383.879 3.660 0 40 GHAB CC(C)Cn1ccc2cc(NC(=O)CCS(=O)(=O)C3CCCC3)ccc21 58087412 QNUOSDZTQGNCBF-UHFFFAOYSA-N 376.522 3.983 0 40 GHAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)Cc4ccccc4)c3)nn12 10010280 YWPFBFUHIQFOGA-UHFFFAOYSA-N 393.472 3.605 0 40 GHAB CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)c1c(C)[nH]c2ccccc12 58165265 FUUKDNBRWCEWGZ-UHFFFAOYSA-N 397.906 3.951 0 40 GHAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 27824409 LYYXGYKFOWWPCI-KBPBESRZSA-N 375.918 3.625 0 40 GHAB Cc1ccc(NC(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c(C)c1 58369748 CNAISWTVAHFLPA-OAHLLOKOSA-N 382.382 3.884 0 40 GHAB CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccccc3F)cc2)CC1=O 10461841 XJTSRXGLULSDRL-MRXNPFEDSA-N 397.450 3.665 0 40 GHAB C[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1ccc(C(N)=O)cc1 28367780 MFIGTOWEPPTHRS-CQSZACIVSA-N 395.459 3.656 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(F)c1)N(c1nncs1)C3=O 2418264 SZYBTEOBKWUPKE-INIZCTEOSA-N 393.399 3.842 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)cc1 2534599 XOQKHGIQUWQHER-UHFFFAOYSA-N 395.527 3.891 0 40 GHAB CC(C)c1ccccc1N(CC(=O)Nc1ccccc1Cl)S(C)(=O)=O 22380028 DVEGMIQCDLMOQR-UHFFFAOYSA-N 380.897 3.868 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3216732 RXJXZKKATVFTKQ-UHFFFAOYSA-N 397.839 3.970 0 40 GHAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1Oc1ccccc1 12788975 ODIZCIQYBMMOCI-QZTJIDSGSA-N 390.439 3.759 0 40 GHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c1 3309555 LSLRFBVRHNWTMY-MDZDMXLPSA-N 379.334 3.909 0 40 GHAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2cc(C)ccc2C)C1=O 12802859 DVIBICSPCSAFAE-OAQYLSRUSA-N 384.863 3.997 0 40 GHAB COC(=O)C[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 12877765 QEIISBAYPNPSHW-SFHVURJKSA-N 392.411 3.566 0 40 GHAB COc1ccccc1Nc1nnc(SCC(=O)NC2CCCCC2)s1 3494673 VLFMMABMVHAKDO-UHFFFAOYSA-N 378.523 3.831 0 40 GHAB CNC(=O)c1ccc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1 12997817 UBFABMYVWVPOOX-UHFFFAOYSA-N 395.484 3.951 0 40 GHAB CC(C)(C)c1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)cc1 13720542 ADAAMIQKZFNURJ-UHFFFAOYSA-N 391.471 3.658 0 40 GHAB COc1cccc(C(=O)NCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1 13720659 MDXRBQNINFWKQJ-UHFFFAOYSA-N 393.321 3.574 0 40 GHAB COc1ccc2c(c1)c(CC(=O)N(C)C)c(C)n2C(=O)c1ccc(Cl)cc1 13809379 QVYWHCXTWBDFCX-UHFFFAOYSA-N 384.863 3.931 0 40 GHAB O=S(=O)(c1cccc(CSc2ccccc2Cl)c1)N1CCOCC1 6352028 TZHNAARNZDFMBH-UHFFFAOYSA-N 383.922 3.653 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 14198782 QCEFFFUXDLFWJR-OAHLLOKOSA-N 392.496 3.689 0 40 GHAB Cc1nc2ccccc2n1CCCNC(=O)c1ccc(Br)cc1O 66043391 LAJDETSOVLMJNB-UHFFFAOYSA-N 388.265 3.633 0 40 GHAB CC(C)(C)NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 4616408 TWOGNOHNQSDSDY-UHFFFAOYSA-N 394.924 3.835 0 40 GHAB COC(=O)c1cc(CNC(=O)Cc2c(Cl)cccc2Cl)ccc1OC 9377594 JANZKMOKWXKISJ-UHFFFAOYSA-N 382.243 3.648 0 40 GHAB CCOC(=O)C1CCN(C[C@H](O)COc2ccc3oc4ccccc4c3c2)CC1 5603943 GBLJEWRGEQBGAN-KRWDZBQOSA-N 397.471 3.601 0 40 GHAB COc1ccc(OC)c(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)c1 15017851 OOVUQSIFIRAAFK-HNNXBMFYSA-N 376.250 3.769 0 40 GHAB O=C(Cn1ncc(Cl)c(Cl)c1=O)N(c1ccccc1)C1CCCCC1 5992408 IAVJIDYNBKKYSB-UHFFFAOYSA-N 380.275 3.916 0 40 GHAB CC(C)n1c(SCCCn2c(=O)[nH]c3ccccc32)nc2ccccc2c1=O 7059748 RJPUMWPZVFHLIY-UHFFFAOYSA-N 394.500 3.803 0 40 GHAB COc1ccc(CCNc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 25087424 VKNVFKILQDVIRH-UHFFFAOYSA-N 381.457 3.804 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)c(Cl)c2)cc1 20454829 CLDNRQAOYCFKBZ-UHFFFAOYSA-N 380.897 3.978 0 40 GHAB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(Br)cc1 7914120 JBXHYCHURGOYMT-UHFFFAOYSA-N 391.290 3.917 0 40 GHAB O=C(NCCCn1ccc2ccccc21)C1CCN(C(=O)c2cccs2)CC1 8159561 YIAORTGFYIOWTH-UHFFFAOYSA-N 395.528 3.762 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnnn1Cc1cccs1 8390377 DIPINMFXJXFVCT-LBPRGKRZSA-N 383.502 3.936 0 40 GHAB Cc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1 8550536 RKOIUVZIDJDDLN-NRFANRHFSA-N 390.483 3.825 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2ccccc2C(F)(F)F)cc1F 8509670 RAKCSLKSUCHYTC-UHFFFAOYSA-N 377.359 3.674 0 40 GHAB O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(N2CCCC2=O)cc1 8774339 NNNXIGVVEFKZQE-UHFFFAOYSA-N 397.525 3.857 0 40 GHAB COc1cc(C)c(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1OC 8749098 XXGUFSDFTHQFQB-UHFFFAOYSA-N 390.867 3.814 0 40 GHAB CCC[C@@](C)(CCCNC(=O)c1cnn(-c2ccccc2C)c1)C1OCCO1 72306504 UECSWPBDCTUPKE-QFIPXVFZSA-N 385.508 3.870 0 40 GHAB CCn1ncc(Br)c1C(=O)NCc1ccccc1C(F)(F)F 28226430 UASVYRSMPSEGSA-UHFFFAOYSA-N 376.176 3.614 0 40 GHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)c1 408666944 APKKQRMRYSQWFH-YJLNNSPDSA-N 392.455 3.873 0 40 GHAB COC(=O)[C@@H]1CCCC[C@@H]1NCc1c(C)nn(Cc2ccccc2)c1Cl 95941294 XRJGTKLOPJECAS-AEFFLSMTSA-N 375.900 3.715 0 40 GHAB CCOc1ccccc1C(=O)N1CCC(N[C@H](COC)Cc2ccccc2)CC1 95967486 VCJPGQUNUHNMCB-NRFANRHFSA-N 396.531 3.537 0 40 GHAB Cc1cc(CCC(=O)N[C@@H](C)[C@H](O)Cc2ccccc2)ccc1Br 89587434 NOQTWWOYIBOZEK-HNAYVOBHSA-N 390.321 3.798 0 40 GHAB Cc1nn(C)c2ncc(NC(=O)COc3ccc4oc5c(c4c3)CCCC5)cc12 24032934 OXSBYQSWKVYWMJ-UHFFFAOYSA-N 390.443 3.919 0 40 GHAB Cc1cc(Cl)ccc1N(CC(=O)NC1CCCCCCC1)S(C)(=O)=O 408617131 HUFPZUQIIZODSW-UHFFFAOYSA-N 386.945 3.644 0 40 GHAB Cc1cc(N2CCN(C)CC2)ccc1NCc1ccccc1-c1ccnn1C 509121619 AWJGWDOFAZMJFH-UHFFFAOYSA-N 375.520 3.759 0 40 GHAB CCn1c(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc2ccccc21 33106468 UFLYJUJJTANRBL-UHFFFAOYSA-N 385.418 3.689 0 40 GHAB CCOc1ccc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1OCC 30752665 CTYMFMNUJGFOTO-UHFFFAOYSA-N 396.487 3.536 0 40 GHAB CN(C[C@H](O)C(F)(F)F)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 541816876 KJIYUKSLLOCTNI-MSOLQXFVSA-N 396.409 3.509 0 40 GHAB CC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(OC)c(OC)c1 219216195 YCHCJQILFHUFCS-GOSISDBHSA-N 382.460 3.712 0 40 GHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1 38862784 YYSHAYCVNAXNRY-INIZCTEOSA-N 376.460 3.712 0 40 GHAB COc1cccc(Cc2cccc(C3CCN(C(=O)c4c[nH]nc4C)CC3)n2)c1 72349760 HVKPIFASWVBLAD-UHFFFAOYSA-N 390.487 3.732 0 40 GHAB CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1csc2c1CCCC2 72389538 AJRSHGMKNJXVBD-GOSISDBHSA-N 385.533 3.516 0 40 GHAB COc1ccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1OC 41184938 ZHRDYSFMNKTXTJ-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1cccc(N2CCCC2=O)c1 224586827 OXYQUSRDGWOKJK-KRWDZBQOSA-N 392.499 3.776 0 40 GHAB Cc1ccccc1OCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1 223719203 YOIWHALNFXEQJG-LJQANCHMSA-N 394.515 3.850 0 40 GHAB Cc1cc(C)cc(O[C@@H](Cc2ccc(I)cc2)C(=O)O)c1 225068158 NACGOWQPFONRBX-INIZCTEOSA-N 396.224 3.983 0 40 GHAB CC(C)(C)NC(=S)Nc1nc(N2CCCC2)cc(N2Cc3ccccc3C2)n1 225894168 JIPNCJGAQJWYQC-UHFFFAOYSA-N 396.564 3.682 0 40 GHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 224739934 VFNOICKMIHALJZ-OAQYLSRUSA-N 384.495 3.948 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 225070717 IGUYPXHLAVHTME-KRWDZBQOSA-N 386.923 3.869 0 40 GHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCc1ccccc1Cl 222976359 RHUIHYBADRRAFF-HNNXBMFYSA-N 388.895 3.792 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3oc4c(c3C)C(=O)CCC4)cc2)CC1 40130743 USNDKGLYHZJOTE-UHFFFAOYSA-N 381.476 3.501 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc21 223254101 OGDLOOGTFVVDFK-HNNXBMFYSA-N 398.528 3.514 0 40 GHAB Cc1nc(Nc2ccc(NC(=O)/C=C/c3ccco3)cc2)cc(-n2cccn2)n1 49422520 AHRXCUVPZXVMOY-MDZDMXLPSA-N 386.415 3.959 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(C)C)cc1 224239979 DWDBETDXCSRGNC-UHFFFAOYSA-N 392.546 3.791 0 40 GHAB CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1ccccn1)CC2 96036968 WPNRZESDVQFYAL-UHFFFAOYSA-N 391.494 3.521 0 40 GHAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)CCCn3cccn3)C2)nc1 257263320 LPHVIROHEOMGET-LJQANCHMSA-N 393.491 3.736 0 40 GHAB CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)CN4CCCC4)CC3)C[C@@H]21 257269591 MQPFXBWELRDSOR-SIKLNZKXSA-N 398.547 3.640 0 40 GHAB CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 257272667 NDJIUGRAAGKUEC-MDMSPXHWSA-N 391.510 3.973 0 40 GHAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4ocnc4C)C3)o2)c1 257221693 DQCPWSACMRFPTN-MRXNPFEDSA-N 381.432 3.590 0 40 GHAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC[C@@H](Cc2ccncc2)C1 645646335 WMQKYZJUAUWFRK-KRWDZBQOSA-N 388.533 3.641 0 40 GHAB CN1C(=O)[C@@H](NC(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)Cc2ccccc21 1640272577 XUZOOQWSSFAZQP-IBGZPJMESA-N 375.472 3.783 0 40 GHAB Cc1ccc(CC(=O)N2CCC3(CC2)CCN(Cc2cccc(F)c2)C3=O)cc1 585099758 JOHXFZQHCSVJIO-UHFFFAOYSA-N 394.490 3.718 0 40 GHAB Cn1ccnc1-c1sc(NC(=O)c2ncncc2Cl)nc1-c1ccccc1 95964029 NSTSYIUVKNTUCF-UHFFFAOYSA-N 396.863 3.906 0 40 GHAB CC[C@@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)C1CCCCC1 12145365 PWNJANQZTPESEG-INIZCTEOSA-N 389.446 3.664 0 40 GHAB Cc1cc(-n2c(C)cc(/C=C/C(=O)NCCc3nc4ccccc4[nH]3)c2C)no1 12822888 PKNLOXYQYKFPIM-CMDGGOBGSA-N 389.459 3.639 0 40 GHAB CC[C@@H](C)C(=O)N1CCN([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 12941309 LAXVVUQDTNYBLH-ZIAGYGMSSA-N 376.888 3.641 0 40 GHAB CC[C@H](C(=O)Nc1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714184 JCKBMCAGEHOKGJ-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB CCc1ccccc1N1C[C@H](c2nnc(NC(=O)C(C)(C)CC)s2)CC1=O 13944389 FPTMYLNREYNDGP-CQSZACIVSA-N 386.521 3.996 0 40 GHAB O=S(=O)(c1cccc2nsnc12)N1CCC[C@H]1c1ccc(Cl)cc1 15836342 IDTLIPHMGVASAW-AWEZNQCLSA-N 379.894 3.871 0 40 GHAB Cc1cc(-c2cnn(C)c2[C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)on1 19124398 CIIJSQNEVUCAJJ-GOSISDBHSA-N 382.439 3.819 0 40 GHAB Cc1ccc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)s1 19217195 FXYUSORLPKFYMR-CYBMUJFWSA-N 384.954 3.888 0 40 GHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@@H]2C[C@@H]2C)C1 19463093 RMHZSVVLFVSZEP-QUZZAMIASA-N 396.556 3.968 0 40 GHAB Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H](COc3ccccc3F)C2)c(C)c1C 19556722 KDMJWJZFLWJHOJ-DNVCBOLYSA-N 387.499 3.901 0 40 GHAB Cc1occc1-c1cc2nc([C@@H]3CCCN(Cc4ccncc4)C3)cc(N)n2n1 19583119 FPLOOQTZMQCXBH-QGZVFWFLSA-N 388.475 3.655 0 40 GHAB O=C(CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)NC1CCOCC1 19748328 AOQSEFKCNSEOSQ-UHFFFAOYSA-N 384.442 3.603 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)o1 19929232 QKVBHLHZJMXULZ-UHFFFAOYSA-N 396.472 3.988 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)cc1 19932802 SENSPGJBZVWRRO-HNAYVOBHSA-N 392.496 3.556 0 40 GHAB COc1ccc(CC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)cc1 12087782 QOAIJUHYRBXYIP-UHFFFAOYSA-N 375.472 3.774 0 40 GHAB COc1cccc([C@H]2CN(C(=O)c3c(C)oc4c3CCCC4)[C@@H]3CCCN[C@H]23)c1 19581307 DEDDJNWDYZJKLO-TXTKFYIRSA-N 394.515 3.836 0 40 GHAB C[C@@H]1CCN(C(=O)CSc2nnnn2-c2ccccc2)c2ccccc2S1 5035237 DUXZWKRSGLEPHT-CQSZACIVSA-N 397.529 3.672 0 40 GHAB O=c1[nH]c(CSc2nnc(-c3cccs3)n2C2CC2)nc2ccsc12 5165960 IFDYKDCMRHPBPP-UHFFFAOYSA-N 387.515 3.932 0 40 GHAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NCc3ccc(OC)cc3)n2)cc1 5179838 KYVWDUZPZPMSEK-AWEZNQCLSA-N 396.516 3.840 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1C 6628236 BLPWTDHQMAIQSO-UHFFFAOYSA-N 375.354 3.614 0 40 GHAB CC(C)(C)c1ccc2nnc(C3CCN(c4nc5cnccc5s4)CC3)n2n1 1888906670 IFHDKWALZWINMM-UHFFFAOYSA-N 393.520 3.811 0 40 GHAB O=C(COc1cccc2c1CCN(Cc1ccccc1)C2=O)NC1CCCCC1 2716336 NVYJKRAHBICUOC-UHFFFAOYSA-N 392.499 3.713 0 40 GHAB COc1cccc(C(=O)N(CCCN(C)C)c2nc3c(OC)cccc3s2)c1 4359735 KBZBXZGVAIJJHC-UHFFFAOYSA-N 399.516 3.912 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 4305183 CJUXGHHVLHAJGG-HXUWFJFHSA-N 382.485 3.670 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1ccc(Cl)cc1 5255097 BDZRYQXZUALNHW-UHFFFAOYSA-N 384.819 3.642 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(Cn4ccnc4)cc3)cc2)n1 30220574 XBQHFFRARICAKZ-UHFFFAOYSA-N 385.471 3.664 0 40 GHAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)CCc2cccs2)cc1 30227804 FNJCXTVYYZXUMF-UHFFFAOYSA-N 382.485 3.862 0 40 GHAB CSc1nn(Cc2ccccc2Cl)c2nc3sc(C)cc3c(=O)n12 40286692 HLNCWIPMNHANQM-UHFFFAOYSA-N 376.894 3.838 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364454 QWYMCHSKQLSUIK-KRWDZBQOSA-N 390.439 3.862 0 40 GHAB O=C(O)C1CCN(C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)CC1 20733792 AJCVBLBPBQSTMK-UHFFFAOYSA-N 399.299 3.983 0 40 GHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2)C12CCCCC2 20724563 ITBRSANWNIIJOZ-FQEVSTJZSA-N 393.487 3.609 0 40 GHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)Cc1nc2ccccc2s1 32748123 KHNSKYQQJBZYRY-AWEZNQCLSA-N 383.473 3.570 0 40 GHAB C[C@H]1Cc2cc(-c3csc(NCc4ccco4)n3)ccc2N1S(C)(=O)=O 21908557 QVOOCQOTPVPZDV-LBPRGKRZSA-N 389.502 3.726 0 40 GHAB CCN(CCCNC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccccc1 22135846 VMUGNXRUYPVDRK-LJQANCHMSA-N 379.504 3.610 0 40 GHAB O=C(NCc1cccnc1OC1CCCC1)C1(c2ccccc2)CCOCC1 41969618 YEVCHABFLTVOMH-UHFFFAOYSA-N 380.488 3.768 0 40 GHAB O=S(=O)(NC1CCCCC1)c1cc(Br)ccc1Br 644478 DCNQOIIRAZKWKX-UHFFFAOYSA-N 397.132 3.823 0 40 GHAB C[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 921653 YIXOTXAPNRXEQT-JTSKRJEESA-N 398.462 3.771 0 40 GHAB COCCCN1COc2ccc3c(=O)c(Oc4ccc(OC)cc4)coc3c2C1 12442572 BWAQRWNQPRPARX-UHFFFAOYSA-N 397.427 3.782 0 40 GHAB biogenic C[C@H]1CN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccc3Cl)o2)C[C@@H](C)O1 24222035 XTHHFPZNZVZEMS-HZSPNIEDSA-N 391.851 3.781 0 40 GHAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 24259055 YYSAXHGXOIGRIE-SFHVURJKSA-N 379.287 3.797 0 40 GHAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)n2ncnc2N1 949704 XQXNODMVMVJBNU-SFHVURJKSA-N 380.835 3.964 0 40 GHAB COc1ccc(-c2nnc(NC(=O)COc3ccc(C)cc3)s2)cc1OC 1269965 BKTHEGLRIASECQ-UHFFFAOYSA-N 385.445 3.548 0 40 GHAB Cc1cccc(N2CCN(Cn3nc(-c4ccco4)n(C)c3=S)CC2)c1C 12552926 DSYKOKBECFPQRS-UHFFFAOYSA-N 383.521 3.608 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2CCCCCCC2)C(C)C)cc1 6300505 IXHILMJANHATSG-IBGZPJMESA-N 380.554 3.527 0 40 GHAB CCCN1CCN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1 58140371 FBALSECMBBXQTF-UHFFFAOYSA-N 395.334 3.714 0 40 GHAB O=C1C[C@@H](c2ccccc2)N(C(=O)Nc2ccccc2C(F)(F)F)CCN1 58198477 RRCJOJQPKUZESH-INIZCTEOSA-N 377.366 3.801 0 40 GHAB CN(C)c1ccc(NC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cn1 58147378 NKQGNOHNWLJEOH-UHFFFAOYSA-N 396.491 3.552 0 40 GHAB Cc1sc2nc(S[C@@H](C(N)=O)c3ccccc3)n(C(C)C)c(=O)c2c1C 10286649 LSRASULCDQMTCE-OAHLLOKOSA-N 387.530 3.974 0 40 GHAB CCN(CC)C(=O)c1ccc(CNC(=O)N2CC[C@H](c3ccccc3)C2)cc1 58265002 KKDFOVORHALGGB-NRFANRHFSA-N 379.504 3.868 0 40 GHAB COc1ccc(-c2cn(-c3ccc(Br)cc3)c(=O)[nH]2)cc1OC 10433602 AXEXWINALFDZIT-UHFFFAOYSA-N 375.222 3.612 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364503 OSZMOGKXQXQKSB-LJQANCHMSA-N 387.439 3.804 0 40 GHAB Cc1cc(F)ccc1NC(=O)Cn1nc(C2CC2)c2c(C(F)F)cc(=O)[nH]c21 36621689 OBLJWTQPONUDOU-UHFFFAOYSA-N 390.365 3.626 0 40 GHAB CCCC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1C 60091272 HDHPJTNGUWNWMH-HNNXBMFYSA-N 397.475 3.944 0 40 GHAB CCCCC[C@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 2656824 KKPDJLIJVSSPQA-AWEZNQCLSA-N 385.485 3.762 0 40 GHAB CCC(C)(C)n1nnnc1[C@@H](CC(C)C)N1CCN(Cc2ccccc2)CC1 20139893 NRSLVRREVYWBEH-HXUWFJFHSA-N 384.572 3.723 0 40 GHAB O=C(C1CC1)N1CCc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21 12068268 WDGSQWFEMLMGDI-UHFFFAOYSA-N 390.892 3.581 0 40 GHAB CCC(CC)N(C)C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 47370258 YYBBZZVBRGCNNL-UHFFFAOYSA-N 381.398 3.820 0 40 GHAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)COC(C)=O 3239728 QSMXAVKPOVIZRX-UHFFFAOYSA-N 381.837 3.747 0 40 GHAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C)c2C)c1=O 51357742 STVQXJZMPSPMFN-UHFFFAOYSA-N 393.487 3.609 0 40 GHAB Cc1c(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c2ccccc2n1C 106754821 BQIRCHWHPGLWPU-PDGQHHTCSA-N 397.500 3.536 0 40 GHAB O=C(CN[C@H](c1ccccc1)c1cccs1)Nc1ccc2c(c1)OCCO2 12861623 FBJLWCGPRVQYMX-OAQYLSRUSA-N 380.469 3.837 0 40 GHAB COC(=O)c1ccoc1CSc1cc(C(=O)NC2CC2)c2ccccc2n1 12889944 UDXPXGRTQACABQ-UHFFFAOYSA-N 382.441 3.799 0 40 GHAB CCOc1ccc2oc(C(=O)OCC(=O)NCCc3ccccc3)c(C)c2c1 3520394 PCQFYOKHTYRQFM-UHFFFAOYSA-N 381.428 3.656 0 40 GHAB CC(C)[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccc2c(c1)OCCCO2 12997508 OKZPAZOPQCZKRH-IBGZPJMESA-N 397.443 3.802 0 40 GHAB CCCCS(=O)(=O)Nc1nn(Cc2cccc(C)c2)cc1Br 27917513 MTJMQQYOTDIADJ-UHFFFAOYSA-N 386.315 3.544 0 40 GHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccccc2OC(C)C)C1=O 409328962 BECWKUPQRHXNNY-ATTDUZETSA-N 377.462 3.852 0 40 GHAB CN1CCn2c(nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)C1 13721105 FMFWULFFRNNPNW-UHFFFAOYSA-N 392.503 3.797 0 40 GHAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2)cc1 5179933 HSBITBGGMGHVRE-GFCCVEGCSA-N 396.472 3.882 0 40 GHAB O=C(CSc1nc2ccccc2s1)OCC(=O)N1CCc2ccccc21 5212265 QAPKJPNQCKCCIV-UHFFFAOYSA-N 384.482 3.521 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2)cc1 5353174 OIDUNXGEFDPMSB-UHFFFAOYSA-N 398.415 3.623 0 40 GHAB COC(=O)c1cc(NC(=O)c2cccc(Nc3ncccn3)c2)ccc1Cl 24982314 CRZQVGSBRNKOFS-UHFFFAOYSA-N 382.807 3.913 0 40 GHAB O=C(Nc1cccc(Cl)c1)c1ccc(N2C(=O)c3cccnc3C2=O)cc1 408722363 SSBWVPULEOEHTO-UHFFFAOYSA-N 377.787 3.788 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nc(C)c3ccccc3n2)cc1 6402173 ICZQDDQLXRQCAG-UHFFFAOYSA-N 381.457 3.846 0 40 GHAB CCN(CC)C(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccccc1Cl 4506713 WIYYTLUAFKDWKJ-XMHGGMMESA-N 386.879 3.988 0 40 GHAB COc1cccc(Nc2cnn(-c3nc4ccccc4n3C)c(=O)c2Cl)c1 5451891 HNVPKXBSHVGFSV-UHFFFAOYSA-N 381.823 3.525 0 40 GHAB O=C(CSc1nnc2[nH]c3ccccc3n12)c1ccc(Br)cc1 6506911 NHMUBEAZPKSXIC-UHFFFAOYSA-N 387.262 3.948 0 40 GHAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2cc(C)c(C)cc2C)C1=O 6589659 CJKIMSWDZRNIRP-QHCPKHFHSA-N 394.471 3.660 0 40 GHAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(C)cc1 14508173 RKDNDDCPEUUETK-GOSISDBHSA-N 390.936 3.816 0 40 GHAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCC(NC(=O)c2ccccc2)CC1 14708320 YVJUOKKYWLHPJW-AWEZNQCLSA-N 382.489 3.754 0 40 GHAB CCOC(=O)c1cc(NC(=O)c2ccccc2Cl)ccc1N1CCOCC1 4711559 BDHBAWZCDBRQBW-UHFFFAOYSA-N 388.851 3.606 0 40 GHAB CCN1CCC[C@H]1CNCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 19874799 DHNBZPCXCRPQPE-SFHVURJKSA-N 389.927 3.897 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 4999468 RKSUAXOBUVKQTI-CQSZACIVSA-N 393.468 3.759 0 40 GHAB CCn1c(SCCCn2c(=O)[nH]c3ccccc32)nnc1-c1cccs1 9583278 HDEDSVUHRUDBPN-UHFFFAOYSA-N 385.518 3.852 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)o1 306130996 JUIKGRZFQSJULM-SFHVURJKSA-N 387.443 3.713 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N(C)Cc2cccc(Cl)c2)cc1 8119953 ZOECYNMVBNGWAF-MRXNPFEDSA-N 387.911 3.566 0 40 GHAB O=C(CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1nccs1 16713048 KGSZSJLZAIAZBC-UQAUATQKSA-N 385.470 3.764 0 40 GHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCCc2cc(F)cc(F)c21 71973564 ISIDMURJQRNXNF-UHFFFAOYSA-N 383.398 3.503 0 40 GHAB O=C(NCc1cn2ccccc2n1)c1c(-n2cccc2)sc2c1CCSC2 8279413 CFOHLKAZUYOZKS-UHFFFAOYSA-N 394.525 3.906 0 40 GHAB COC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3ccccc3)c2C)cc1 8270618 CZRISTGEHNWLHE-UHFFFAOYSA-N 377.444 3.847 0 40 GHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(F)cc1 408704856 ULPUEHZJHPTHPV-UHFFFAOYSA-N 384.432 3.907 0 40 GHAB CCC(CC)NC(=O)CSc1nnc(SCC(=O)c2ccccc2)s1 8419479 LFEWJRFOCLJMSP-UHFFFAOYSA-N 395.575 3.910 0 40 GHAB CSc1nc(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c2ccccn12 83993106 HWFUAEZTYKYREK-IAGOWNOFSA-N 385.464 3.845 0 40 GHAB C[C@@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NCc1ccco1 8943217 DIBJLWYLBRSXRT-CYBMUJFWSA-N 395.484 3.517 0 40 GHAB CCn1c(SCC(=O)NCc2ccco2)nnc1-c1cc2ccccc2o1 9053096 JRLNVXOYTGLNBU-UHFFFAOYSA-N 382.445 3.713 0 40 GHAB Cc1ccc(C)c(NC(=O)COC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 97134639 POEJGYMFYNAPQI-UHFFFAOYSA-N 379.416 3.821 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)N(CC(C)C)CC(C)C)c12 97134608 LRKRXCKTWHZBOW-UHFFFAOYSA-N 387.480 3.706 0 40 GHAB Cc1cc(NC(=O)c2c3c(nc4ccccc24)CCC3)ccc1N1C(=O)CCC1=O 95958856 BWRODAZWZPCKHX-UHFFFAOYSA-N 399.450 3.938 0 40 GHAB C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCc1ccc(F)c(CO)c1 89941480 CQGCANUBZDSAIQ-HNNXBMFYSA-N 394.446 3.792 0 40 GHAB O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc2ccccc2c1 32115583 PIFKADFCFNVPDD-UHFFFAOYSA-N 391.496 3.803 0 40 GHAB O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1(F)F 521396613 VLSBUDCUZNUOQJ-GOSISDBHSA-N 387.382 3.977 0 40 GHAB COc1ccccc1[C@H](NC(=O)c1cn2cccnc2n1)c1ccccc1Cl 525574087 NQIOGUOLJVAVQY-LJQANCHMSA-N 392.846 3.911 0 40 GHAB CC1=NN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@@](O)(C(F)(F)F)C1 32099990 ASCFZBHWZLEXAH-SDBXPKJASA-N 385.169 3.620 0 40 GHAB COc1ccccc1CNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 36398346 YRNPZWSOJGEYPS-UHFFFAOYSA-N 393.340 3.969 0 40 GHAB O=C(Nc1cccc(Cl)c1)[C@@H]1CSCN1C(=O)OCc1ccccc1 408736412 BWDYJBQTNSSOQW-INIZCTEOSA-N 376.865 3.990 0 40 GHAB COc1ccc(C)cc1NC(=O)CC1(N2Cc3ccccc3C2=O)CCOCC1 1565524659 QWHXWVAOMJQPIE-UHFFFAOYSA-N 394.471 3.537 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H]2c2cncc(Oc3ccc(Cl)cc3)n2)cn1 72383977 YFWBKNWWUJLHGC-GOSISDBHSA-N 395.850 3.998 0 40 GHAB CCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 72372952 OLNQMMJKIZPAPU-HXUWFJFHSA-N 378.520 3.854 0 40 GHAB CC[C@H](C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)n1nc(C)cc1C 36752601 CKKYWLFELGSYOL-MRXNPFEDSA-N 377.872 3.582 0 40 GHAB C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2ccc(C)cc2)cc1)C(=O)O 37018983 OGKHANWLYVWKJU-KAMYIIQDSA-N 384.457 3.695 0 40 GHAB O=C(c1cccc(-c2cn[nH]c2)c1)N1CCO[C@H](CCCc2ccccc2)C1 71388781 IPOVSKNCQZNBHF-JOCHJYFZSA-N 375.472 3.941 0 40 GHAB CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 216391286 RUNRUXFAKGRGIO-UHFFFAOYSA-N 380.897 3.979 0 40 GHAB O=S(=O)(NCc1ccc(-n2ccnc2)cc1)c1cc(Cl)ccc1Cl 216294670 SLBPMVYPFFJACV-UHFFFAOYSA-N 382.272 3.658 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2ccccc2Br)cc1Cl 224954775 GNCSGJCWLYWTKK-UHFFFAOYSA-N 390.686 3.936 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225700314 SEUHWWGAIOMFAS-SFHVURJKSA-N 388.533 3.727 0 40 GHAB COc1ccc(NC(=O)CCc2ncc(-c3ccc(OC)cc3OC)o2)cc1 224868853 HJQXMBITZCZGMW-UHFFFAOYSA-N 382.416 3.939 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 224764624 AQGHXBSEMJPJBO-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1 225094892 BUOCIPOBMBQMOJ-JOCHJYFZSA-N 396.531 3.961 0 40 GHAB COc1ccc(OCCNC(=O)[C@H](C)c2ccc(C[C@H]3CCCC3=O)cc2)cc1 575443990 JODBQEHWZDTTKW-YLJYHZDGSA-N 395.499 3.906 0 40 GHAB COc1ccc(-c2ccc(C(=O)O)o2)c(NS(=O)(=O)c2ccc(C)cc2)c1 226353498 FVFCPETVMFTJAO-UHFFFAOYSA-N 387.413 3.763 0 40 GHAB CCOc1ccc(-c2noc(CN(C)C(=O)CCc3ccccc3F)n2)cc1 225851552 KANXGFVXDUXWDR-UHFFFAOYSA-N 383.423 3.866 0 40 GHAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 222758983 QTQUCIJWVYZKJR-ZWKOTPCHSA-N 379.441 3.642 0 40 GHAB CN(Cc1ccc(C(=O)Nc2cccc(F)c2)cc1)S(=O)(=O)c1ccccc1 224409370 OKFCPRQLAHCKEI-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1 224642005 GMQVPZVEVFMXMY-LJQANCHMSA-N 394.515 3.932 0 40 GHAB C[C@@](O)(CSc1cccc(F)c1)C(=O)Nc1ccc(Oc2cccnc2)nc1 577521064 LZIBKVHFCNSQNL-HXUWFJFHSA-N 399.447 3.890 0 40 GHAB O=C(c1ccsc1)N1Cc2ccccc2C2(CCN(C3CCOCC3)CC2)C1 96242466 GBCJVUBQYICJKA-UHFFFAOYSA-N 396.556 3.917 0 40 GHAB CCOC(=O)/C=C1/S[C@H](C)C(=O)N1CC(=O)c1ccc(-c2ccccc2)cc1 96400814 SUONLWJPQIYZAQ-OOWUWCJESA-N 395.480 3.905 0 40 GHAB C[C@H](Sc1ccccc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 95481678 VWLJLSMPIPAVCA-KRWDZBQOSA-N 384.545 3.957 0 40 GHAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccccc2C)CC1 242837222 FTVTXGIPAHUBRV-UHFFFAOYSA-N 382.460 3.503 0 40 GHAB CCCCN1CCCC[C@@H]1C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 585080824 CQPLUABFOFKUJC-HSZRJFAPSA-N 394.563 3.665 0 40 GHAB C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N(C)CCc1ccccn1 253399556 JRGCVQCRWFBWTO-ZDUSSCGKSA-N 385.851 3.758 0 40 GHAB biogenic,in-vitro CCN1C(=O)CC[C@@H](C(=O)NCCc2cccc(C)c2)[C@@H]1c1cccc(OC)c1 257277912 OAAHCBGVEGOSJK-GGAORHGYSA-N 394.515 3.662 0 40 GHAB Cc1cnc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N[C@H]3Cc2ccccc2)cn1 257239122 HOAVFBOOZTYPOV-RDYNEMLHSA-N 390.531 3.532 0 40 GHAB Cc1cc(N2C(=O)OC[C@H]2Cc2ccccc2)nc(C2CCN(C(C)C)CC2)n1 257343706 ZUCNSAUPJZXPPL-HXUWFJFHSA-N 394.519 3.941 0 40 GHAB C[C@@H]1CCCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NC3CC3)n2)C1 260708111 DDXAITUHCWKIDD-HUUCEWRRSA-N 388.585 3.541 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)NCc1ccc([C@@H](O)c2cccs2)s1 90613670 USCAYAIOMQJKGM-KSEUIEODSA-N 391.539 3.982 0 40 GHAB C[C@@H](c1ccccc1)N1C[C@@]2(COCCN(Cc3cccc(F)c3)C2)CC1=O 585104570 QPIQQQQCQBSKIA-FDDCHVKYSA-N 382.479 3.638 0 40 GHAB COc1ccc(CN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc1OC 585288961 CDLLWLNASMWJQQ-FBBABVLZSA-N 391.895 3.808 0 40 GHAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2ccccc2O)CC1 57688364 WTBATTCAZHVUKK-AWEZNQCLSA-N 384.867 3.979 0 40 GHAB CSc1ccccc1S(=O)(=O)N[C@@H](C(=O)O)c1ccc2ccccc2c1 560079147 UTBILXBQOCHZHZ-GOSISDBHSA-N 387.482 3.666 0 40 GHAB COc1cc(CN2CCC(O)(c3ccccc3OC)CC2)ccc1OC(C)C 12344351 LWDXEFOBWXHWEP-UHFFFAOYSA-N 385.504 3.975 0 40 GHAB O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 12623914 FYTRSTHRILKJNR-CYBMUJFWSA-N 380.341 3.514 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c1C 14013435 WGWTWIHBJNVOIV-JLZZUVOBSA-N 377.481 3.995 0 40 GHAB COCCCN(Cc1ccc2c(c1)C[C@H](C)O2)C(=O)c1cn2ccc(C)cc2n1 19238155 MZCDUXHADXKYHE-KRWDZBQOSA-N 393.487 3.645 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)[C@H]2C[C@@H]2C)C1 19463000 AKSHJIBAXMRDCN-NVVBAYIOSA-N 396.556 3.968 0 40 GHAB CCc1nnsc1C(=O)Nc1nc(-c2c[nH]c3ccc(OC)cc23)cs1 19521912 VAOQOWAKMFFAPB-UHFFFAOYSA-N 385.474 3.966 0 40 GHAB Cc1ccc2[nH]nc(C(=O)N3CCC(c4ccc(-c5cncnc5)cn4)CC3)c2c1 19687792 BSRDZCJWBUPAGW-UHFFFAOYSA-N 398.470 3.743 0 40 GHAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3c3ccc(-c4cncnc4)cn3)c2c1 19688663 SQCHTEWXBLLSKX-FQEVSTJZSA-N 384.443 3.701 0 40 GHAB O=C(O)[C@H]1CCN(Cc2nnsc2Cl)c2ccc(Br)cc21 635018747 LTMGJPQQXYNGMG-QMMMGPOBSA-N 388.674 3.533 0 40 GHAB O=C(CC1CCCCC1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 12181906 BGGCJTMGVQVFMC-HRCADAONSA-N 399.461 3.775 0 40 GHAB NC(=O)[C@@]1(c2ccccn2)CCCN(Cc2ccccc2-c2ccccc2F)C1 1848357686 USGOIDBHKUPZBZ-DEOSSOPVSA-N 389.474 3.907 0 40 GHAB NC(=O)[C@]1(c2ccccn2)CCCN(Cc2ccccc2-c2ccccc2F)C1 1848357687 USGOIDBHKUPZBZ-XMMPIXPASA-N 389.474 3.907 0 40 GHAB COc1ccccc1CN(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11239878 PTMKPYWXOCRSKL-UHFFFAOYSA-N 379.435 3.781 0 40 GHAB CCSc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)s1 11429463 RWMZWOOSFKDSCY-UHFFFAOYSA-N 389.481 3.716 0 40 GHAB COc1ccc(CN(C)C(=O)c2ccccc2I)cc1 7871800 OPBZOKORYNCDJT-UHFFFAOYSA-N 381.213 3.572 0 40 GHAB COc1cc(/C=C2\C(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc(OC)c1OC 1102328 GLWVNVRADYUDNK-ZSOIEALJSA-N 394.379 3.587 0 40 GHAB biogenic Cc1ccc(NC(=O)CSc2nc(CC(=O)N3CCCCC3)cs2)cc1 8852684 VTSIWRHCRSHHOG-UHFFFAOYSA-N 389.546 3.737 0 40 GHAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C(C)C)CC3)s1 8977089 QSSWOALXSUOKJD-UHFFFAOYSA-N 392.546 3.652 0 40 GHAB CCCCc1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccco2)o1 13961796 IDDVUABWBPZOLU-UHFFFAOYSA-N 378.432 3.943 0 40 GHAB COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccsc1)N1CCOCC1 22679268 QDXPPRCRIDGPFN-INIZCTEOSA-N 395.912 3.605 0 40 GHAB Cc1ccccc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccs1 22732493 SOWYUPFAPIXNCX-HNNXBMFYSA-N 378.519 3.629 0 40 GHAB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](N=NN3c3ccc(Br)cc3)C2=O)c1 101078048 HQDVQKPLHVRCNH-CVEARBPZSA-N 399.248 3.564 0 40 GHAB COc1ccc(CN(C(=O)CSc2nnc(C(C)(C)C)o2)C2CC2)cc1 40134559 KYYXIXYAMXFRKX-UHFFFAOYSA-N 375.494 3.659 0 40 GHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cnn(-c3ccccn3)c2C(C)C)c1 30835954 XLTOMJMKJWHYDJ-OAHLLOKOSA-N 391.475 3.840 0 40 GHAB CN(C)c1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc1 100288135 FAVBIHWNOYLCDG-VKFLQFAXSA-N 399.926 3.932 0 40 GHAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20565870 MXARTVYFGSNLQF-UHFFFAOYSA-N 397.862 3.508 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 20627670 WZDGOSNOJUUPHM-GOEBONIOSA-N 388.870 3.970 0 40 GHAB COc1ccc2c(ccn2CC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 20745962 AHKKGEQICFZQDL-UHFFFAOYSA-N 391.471 3.915 0 40 GHAB COc1ccc(NC(=O)CCC(=O)CCC(=O)c2cccs2)c(OC)c1 32659279 WBXMPXBMTCIEGJ-UHFFFAOYSA-N 375.446 3.716 0 40 GHAB CNC(=O)NC(=O)[C@H](OC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 32797460 LZKYKPMCOHGHOY-HXUWFJFHSA-N 388.423 3.707 0 40 GHAB O=C(NCc1ccccc1Cn1ccnc1)c1cc(C2CC2)nn1-c1ccccc1 32860038 YLXLDEJNFWLESQ-UHFFFAOYSA-N 397.482 3.925 0 40 GHAB CCN(Cc1cccc(C)c1)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 32913325 XXRJNSDZTRHCGO-XMMPIXPASA-N 391.515 3.948 0 40 GHAB COc1ccccc1NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 102834263 JPKLAPDQNNPNQN-RCRDTURJSA-N 386.883 3.874 0 40 GHAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O)N1CCCC1 983049 LRHRQIVKSTZZOA-ATVHPVEESA-N 382.441 3.605 0 40 GHAB Cc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 875468 JTBCPNHFDGXDMX-UHFFFAOYSA-N 395.528 3.645 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1 905188 CTIMGMQBPFSIQG-UHFFFAOYSA-N 395.532 3.543 0 40 GHAB CC[C@@H]1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)C1 79070424 NXWLCOFULWHPHT-QGZVFWFLSA-N 386.517 3.692 0 40 GHAB CCc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3ccccc3)cc2c1 4127293 WCZGMCKFBMQENF-UHFFFAOYSA-N 395.528 3.672 0 40 GHAB Cc1ccc(-c2nnn(CC(=O)c3cc(C)n(Cc4ccco4)c3C)n2)cc1 6627951 FDASQWFOWIYLHJ-UHFFFAOYSA-N 375.432 3.591 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 8087813 DNHUEGICQBSDLP-ZDUSSCGKSA-N 380.897 3.516 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)N(C)Cc2ccc3c(c2)OCO3)n1 44209076 NQENJUAOBNHGPX-UHFFFAOYSA-N 378.432 3.882 0 40 GHAB CCNC(=O)c1cc(NC(=O)c2nc(C(C)C)ncc2Cl)nc2ccccc12 95975784 JILAWUSDLYNOTL-UHFFFAOYSA-N 397.866 3.804 0 40 GHAB C[C@@]12CN(Cc3ccccc3)C[C@](C)(CN(C(=S)Nc3ccccc3)C1)C2=O 100682633 OGIYZXGYFAIORO-DHIUTWEWSA-N 393.556 3.797 0 40 GHAB O=S1(=O)N=C(NCCC(c2ccccc2)c2ccccc2)c2ccccc21 10101426 SQYWRAAFNXVDJT-UHFFFAOYSA-N 376.481 3.947 0 40 GHAB COc1cc(C(=O)Nc2nnc(-c3ccsc3)s2)cc(OC)c1OC 58174823 BFWOYJDPRUFIKK-UHFFFAOYSA-N 377.447 3.545 0 40 GHAB Cc1ccc2c(COC(=O)CCCn3c(=O)oc4ccccc43)cc(=O)oc2c1 9843232 AYJQOXYIYVEVFM-UHFFFAOYSA-N 393.395 3.533 0 40 GHAB C[C@H](NC(=O)N[C@H](C)c1cc2ccccc2o1)c1ccc(S(C)(=O)=O)cc1 10289710 QJIKURYFCMOKQQ-UONOGXRCSA-N 386.473 3.958 0 40 GHAB O=C(NCc1ccncc1)c1oc2ccccc2c1CSc1ncccn1 58213262 MPBAAVJHUVKUHG-UHFFFAOYSA-N 376.441 3.840 0 40 GHAB C[C@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12 21510236 DZUPRZLXEDNXRT-ZDUSSCGKSA-N 377.375 3.921 0 40 GHAB O[C@H](CNCc1ccc2c(c1)OCO2)COC(c1ccccc1)c1ccccc1 3241844 RONDAJWYZPIZRY-OAQYLSRUSA-N 391.467 3.672 0 40 GHAB COc1cc2[nH]c3c(N4CCN(C5CCCCC5)CC4)ncnc3c2cc1OC 2329468 SWAQBWPWDIOWPB-UHFFFAOYSA-N 395.507 3.583 0 40 GHAB COc1ccccc1CCC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 100750346 HVUQLTFTCOLGJQ-HFJQGTKSSA-N 381.520 3.645 0 40 GHAB COc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(OC)c1OC 11058940 SIIUBYGNCDHRSO-UHFFFAOYSA-N 381.432 3.767 0 40 GHAB COc1cc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc(OC)c1OC 11052659 RLSDGNWSXRJQJV-CYBMUJFWSA-N 399.443 3.728 0 40 GHAB COc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ncccc2C)cc1OC 100769090 CBKQIYAWIBYUME-OALUTQOASA-N 382.504 3.527 0 40 GHAB CN(CC(=O)NCCC(c1ccccc1)c1ccccc1)C(=O)c1ccco1 12775556 CCLPNPGTZFAYEK-UHFFFAOYSA-N 376.456 3.690 0 40 GHAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 3323400 OWKHTDTXVDSTEC-UHFFFAOYSA-N 396.472 3.652 0 40 GHAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)NCC(F)(F)F 3323002 VGZDNJMKDXWUKA-UHFFFAOYSA-N 394.374 3.799 0 40 GHAB CCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)s1 48344326 MUXGHTYIJMXXGX-LBPRGKRZSA-N 399.303 3.651 0 40 GHAB Cc1ccc2c(CN3C(=O)N[C@@](C)(c4ccccc4Cl)C3=O)cc(=O)oc2c1 3516702 VULOXTARSWVKSQ-NRFANRHFSA-N 396.830 3.722 0 40 GHAB O=C(NC1CC1)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1 12925042 IEYVJJZEGZSBAT-UHFFFAOYSA-N 377.213 3.733 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(F)cc2)cc1C 9237583 PTGYAICPWLEGEW-ZWKOTPCHSA-N 397.479 3.740 0 40 GHAB CC(C)OCc1cccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 49154658 FSWOLWKOPKZBMS-UHFFFAOYSA-N 380.488 3.597 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2C)cc1 9237254 KJJXMVZLTINCFC-ZWKOTPCHSA-N 379.489 3.601 0 40 GHAB CCc1ccccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccccc1 9237881 LFAZCOBHMCLBCE-ZWKOTPCHSA-N 379.489 3.547 0 40 GHAB O=C([C@@H]1Cc2ccccc2CN1C(=O)CCCCc1ccccc1)N1CCCC1 13837024 SPXZUFLGMAOBOM-QHCPKHFHSA-N 390.527 3.975 0 40 GHAB CC1CCN(C(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)CC1 27937484 IKSBUWABQFYCTR-UHFFFAOYSA-N 394.235 3.800 0 40 GHAB O=C(OCc1cc(Cl)cc2c1OCOC2)[C@H](c1ccccc1)n1cccn1 65660595 JQEQPRUTXSPTFW-SFHVURJKSA-N 384.819 3.736 0 40 GHAB CCc1ccc(OCC(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1 4677219 QFIQBDLJMKPZDR-UHFFFAOYSA-N 399.516 3.736 0 40 GHAB Cc1cc(C)n(-c2nc(NC[C@@H]3CCCO3)c3c4c(sc3n2)CCCC4)n1 5561429 RSNZKQBIZRKTAL-AWEZNQCLSA-N 383.521 3.964 0 40 GHAB NC(=O)N[C@H](CC(=O)Nc1cccnc1)c1cccc(Oc2ccccc2)c1 6650065 CDQWHMKVWLQZBK-LJQANCHMSA-N 376.416 3.612 0 40 GHAB O=S(=O)(Nc1cccc(/C=C/c2ccncc2)c1)c1ccc2c(c1)OCCO2 4708418 HFGKQHIGPOJBET-SNAWJCMRSA-N 394.452 3.824 0 40 GHAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3cccc(Cl)c3)c2C)c1 67322276 ZWISQUULKNNVDP-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB Cc1nc(S[C@H](C)C(=O)Nc2sccc2C(N)=O)n(C2CCCC2)c1C 7178869 GWICNIPRVXQUIO-GFCCVEGCSA-N 392.550 3.895 0 40 GHAB CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 7262427 NVSUEEKDNZWDBA-UHFFFAOYSA-N 387.288 3.934 0 40 GHAB Cc1ccc(-n2nc(C)c(NC(=O)CN3CCC[C@@H]3c3cccn3C)c2C)cc1 7855245 VBMGKLKBNADVTF-OAQYLSRUSA-N 391.519 3.912 0 40 GHAB CNC(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 7953958 PIRANVAJGGXOGJ-UHFFFAOYSA-N 382.423 3.909 0 40 GHAB CCCc1nn(CC(=O)N(c2ccccc2)C(C)C)c(=S)n1-n1cccc1 16777824 CBMSYLYKUBXLBA-UHFFFAOYSA-N 383.521 3.921 0 40 GHAB COc1ccc([C@H]2NC(=O)c3c(nc4c(cnn4-c4ccccc4)c3C)N2)cc1 17173026 BFMICGOHYLXACC-LJQANCHMSA-N 385.427 3.592 0 40 GHAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]21)c1ccccc1 409370764 AYCVRTMVAKYHHR-VURPSTOHSA-N 385.419 3.780 0 40 GHAB Cc1ccc(-c2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)o2)cc1 8704437 FKTGLONFMUPNDJ-SFHVURJKSA-N 395.484 3.737 0 40 GHAB CC(C)[C@H](C(=O)Nc1nc2ccccc2s1)N1C(=O)c2ccccc2C1=O 9090017 FTMARFWGXQDUOO-MRXNPFEDSA-N 379.441 3.556 0 40 GHAB CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 97102442 DMOIVGYSCDQSSQ-INIZCTEOSA-N 385.468 3.590 0 40 GHAB CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCc4nc[nH]c4C3)c12 552536467 GNNHTWZJWIEQLE-CYBMUJFWSA-N 393.491 3.699 0 40 GHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCCc3c[nH]c4ccccc34)c12 25314935 LSBBEVMHPWAXAI-UHFFFAOYSA-N 375.476 3.854 0 40 GHAB biogenic CCOC(=O)Nc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1OCC 408588700 XXYRITYOPDMVRK-UHFFFAOYSA-N 396.509 3.823 0 40 GHAB CC[C@H](C)[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1nc2ccccc2[nH]1 519294181 JPSHHOVFBYETDT-OYHNWAKOSA-N 388.471 3.781 0 40 GHAB COc1ccc(C(=O)CSc2nccn(-c3cccc(Cl)c3)c2=O)cc1 6915312 BVGZXBVIIKEXMA-UHFFFAOYSA-N 386.860 3.870 0 40 GHAB CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)C(C)(C)C 32910556 KHZIHBQIYQUZCM-GOSISDBHSA-N 375.509 3.897 0 40 GHAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccccn2)n1 72357940 MSFCFQVTOGTKLD-QFIPXVFZSA-N 387.483 3.982 0 40 GHAB C[C@@H](NC(=O)N1CC[C@@H](N2CCCC2=O)C1)C(c1ccccc1)c1ccccc1 558726622 WMVIYZAWNRHHQY-WIYYLYMNSA-N 391.515 3.613 0 40 GHAB O=C(c1ccncc1)N1CCC[C@H](c2cncc(Oc3cccc(F)c3)n2)C1 72362119 YTJBQTDHIJNDKW-INIZCTEOSA-N 378.407 3.823 0 40 GHAB O=C(NCc1ccco1)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33169577 ABPAMVUDJCDAMC-CQSZACIVSA-N 376.416 3.502 0 40 GHAB CC(C)COc1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1Cl 30201165 HZNBUNTXQMESJI-UHFFFAOYSA-N 378.900 3.962 0 40 GHAB C[C@@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NC(C)(C)C)n2)C1 225896373 BRMNMHIHQKPYKD-SNVBAGLBSA-N 375.464 3.817 0 40 GHAB O=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)Oc2c(Cl)cccc21 225828394 SCQVDFOWGHOWGA-UHFFFAOYSA-N 391.876 3.529 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 225184001 CNQOZWARQPTQOX-OAHLLOKOSA-N 390.936 3.737 0 40 GHAB CSc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 222513799 HUFFPUDITTXUCC-UHFFFAOYSA-N 384.910 3.710 0 40 GHAB Clc1ccc(Cc2nnc3sc(-c4n[nH]cc4Br)nn23)cc1 49546880 DHBZDHBPAURKRD-UHFFFAOYSA-N 395.673 3.583 0 40 GHAB O=C(c1cccc(Oc2ccccn2)c1)N1CC(n2cc(-c3ccccc3)nn2)C1 225663515 BNKIJBWCLKYCSJ-UHFFFAOYSA-N 397.438 3.830 0 40 GHAB CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 45996531 IYHBLXJUYGSVSP-UHFFFAOYSA-N 388.489 3.511 0 40 GHAB CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC)cc1 225405080 ACNLMJJWPHIXBP-MRXNPFEDSA-N 386.923 3.998 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 223966184 OVDRIBNWDYEDQD-OAQYLSRUSA-N 395.480 3.850 0 40 GHAB CCS(=O)(=O)[C@](C)(Br)[C@H](O)c1ccc(-c2ccccc2)cc1 96521350 NUYYQECMFJLCCX-SJORKVTESA-N 383.307 3.933 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@H](NCc2ccccc2)c2ccccc2)cc1 96191946 QETRSAJSDWLBPQ-QFIPXVFZSA-N 380.513 3.804 0 40 GHAB C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1C[C@@H]2CCC[C@H](N)[C@H]2C1 580834675 QTPHAGQQPSOJCA-UMGGQSCQSA-N 379.504 3.865 0 40 GHAB NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncnc2scc(-c3ccccc3)c12 245225496 WDBLGKMKELIUNG-UAGQMJEPSA-N 378.501 3.981 0 40 GHAB COc1cccc(C(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)c1 242678458 CUHSVCWUHRLLOI-UHFFFAOYSA-N 386.879 3.517 0 40 GHAB Cc1cc(OCCCC(=O)N2CCN(c3ccccc3O)CC2)ccc1Cl 26526183 ONVKRDIDWLYJAT-UHFFFAOYSA-N 388.895 3.862 0 40 GHAB CSc1ncccc1C(=O)N1C[C@H](c2ccccc2)[C@H](c2nc(C)no2)C1 253471835 FYWNOIKUZDNWCD-IAGOWNOFSA-N 380.473 3.518 0 40 GHAB NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNCC2=CCCOC2)CC1 257276723 NUWIPJZIJRKMST-KOMQPUFPSA-N 385.533 3.605 0 40 GHAB Clc1ccc(CCN2C[C@H]3CCC[C@]3(c3nc(-c4cnccn4)no3)C2)cc1 1614478212 RIPBAAQBTSZRRE-IERDGZPVSA-N 395.894 3.776 0 40 GHAB Cc1cc(Br)c2[nH]nc(NC(=O)[C@H]3CCC[C@H](N(C)C)C3)c2c1 1149636203 YYOYVUXQCQSODC-RYUDHWBXSA-N 379.302 3.693 0 40 GHAB CCOc1ccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(C)=O)c(=O)[nH]c2c1 96096346 IIKMJQGXSQZJHI-JOCHJYFZSA-N 389.455 3.933 0 40 GHAB O=C(O)COC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 725240715 YGLISVAENVGYBU-MRXNPFEDSA-N 395.455 3.749 0 40 GHAB Cc1cc(Cl)c(NC(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)cc1C 567850448 NBDWVLHCIFGINW-UHFFFAOYSA-N 399.886 3.773 0 40 GHAB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3Cl)C2=O)cc1 3148918 REYRPYFXWVBFLX-RIYZIHGNSA-N 391.210 3.668 0 40 GHAB CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 5401173 GIWWJQKZJLMKQJ-ZDUSSCGKSA-N 375.856 3.765 0 40 GHAB COc1cc(C(=O)Nc2nc(-c3cccs3)ns2)cc(OC)c1OC 11914587 NGKBPPKKFSELMX-UHFFFAOYSA-N 377.447 3.545 0 40 GHAB CCn1c(CN2CCC[C@@H](c3nc(-c4cccnc4)n[nH]3)C2)nc2ccccc21 12087318 JXHQAHUBKMAOHR-QGZVFWFLSA-N 387.491 3.616 0 40 GHAB COc1ccc(CN(Cc2c[nH]nc2C(C)(C)C)C[C@H]2CCCO2)cc1OC 12116801 JRGMPTJARFBBDO-GOSISDBHSA-N 387.524 3.906 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cn1ncn(C)c1=S)CC2 14208284 LZAVSKQRZUQNDL-HXUWFJFHSA-N 396.516 3.573 0 40 GHAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cccc(N2CCCC2=O)c1 15614274 YGBNGHFSJCJQTN-UHFFFAOYSA-N 391.515 3.729 0 40 GHAB CC(C)Oc1ccc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1 19450578 AITRSFFJMMJJPY-LJQANCHMSA-N 390.487 3.609 0 40 GHAB COc1cccc2c(C)c(C(=O)N3[C@H]4CC[C@@H]3CC(O)(c3ccncc3)C4)[nH]c12 19565777 RUWBGYUTRLRGFG-NWMVZANLSA-N 391.471 3.535 0 40 GHAB CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)CC(C)(C)C 19696548 QRLWVIRCGILWID-QHCPKHFHSA-N 397.519 3.770 0 40 GHAB CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)c(CCC(=O)O)oc2cc1O 19905315 HBZZNXRSIWQJQQ-UHFFFAOYSA-N 378.384 3.622 0 40 GHAB C[C@@H](Cn1nc2c(cc1=O)CCCC2)NC(=O)C1(c2ccccc2)CCCCC1 105702576 ICDZGABCJUYGDX-SFHVURJKSA-N 393.531 3.529 0 40 GHAB CN(CCc1ccc(Br)cc1)C(=O)c1ccc2c(c1)CCC(=O)N2 592770406 QMXPNSYXUDQEEY-UHFFFAOYSA-N 387.277 3.649 0 40 GHAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCc1ccc(Cl)cc1Cl 2640883 JMGOTOHYHIWQAL-UHFFFAOYSA-N 393.192 3.533 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 3193391 XCPPNEFYWINPNK-UHFFFAOYSA-N 380.897 3.931 0 40 GHAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 5310778 HWDWVHDLRACHNP-AWEZNQCLSA-N 391.500 3.979 0 40 GHAB CSc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 6362741 ZKQXBAJKGSONTJ-SEIPJRMCSA-N 399.468 3.763 0 40 GHAB CSc1nnc(CCCNC(=O)c2cn(C)c3ccccc23)n1C1CCCC1 7031104 ASFITFURQPBHOL-UHFFFAOYSA-N 397.548 3.969 0 40 GHAB O=C(c1nccc2ccccc12)N1CC[C@H](Oc2ncccc2Br)C1 238925915 UQCSNLBQWVAXLL-AWEZNQCLSA-N 398.260 3.686 0 40 GHAB Cc1cc(C)n2c(-c3cccc(C[C@H]4COC5(CCNCC5)C4)n3)cnc2c1 2037846178 UCMQEEBZZDYKSX-GOSISDBHSA-N 376.504 3.714 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC3(CCC(=O)N(CC4CCOCC4)C3)CC2)c1 1565543203 UMWYULKCJPSSPI-UHFFFAOYSA-N 398.547 3.575 0 40 GHAB CCOCCn1ccc2c(OCC(=O)Nc3ccc(C)cc3C)cccc2c1=O 4584354 CIRZINSPKVGWGO-UHFFFAOYSA-N 394.471 3.672 0 40 GHAB Cc1ccnc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1 40086543 VDDXTKYEVXZVNB-HNNXBMFYSA-N 378.259 3.940 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CCc1c(C)nc2ccnn2c1C 40151236 WPVPNWLJWULKMO-UHFFFAOYSA-N 387.281 3.988 0 40 GHAB O=C(NCCC(=O)N(Cc1ccccc1F)C1CC1)c1ccc(F)cc1Cl 40131320 NZDCWGPQGURIGV-UHFFFAOYSA-N 392.833 3.929 0 40 GHAB CC(C)CCN1C(=O)c2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2C1=O 31812534 YMOODYALVHNZBK-UHFFFAOYSA-N 386.477 3.556 0 40 GHAB Clc1cccc(-c2nn3c(COc4ccc5c(c4)OCO5)nnc3s2)c1 20739361 GROCQIKNHUCPEY-UHFFFAOYSA-N 386.820 3.814 0 40 GHAB COc1ccccc1[C@@H](C)N(C)C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 32796593 HZJGQYYGUSAQSS-QZTJIDSGSA-N 380.488 3.885 0 40 GHAB O=C(CCn1c(S)nnc1-c1cccs1)Nc1cccc2cccnc12 21552459 HEZHHQJUZGJZKD-UHFFFAOYSA-N 381.486 3.872 0 40 GHAB CC(C)[C@H](CC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 41111813 KBOLHSLGELTLBC-FQEVSTJZSA-N 386.517 3.995 0 40 GHAB C[C@H](C(=O)Nc1cccc(F)c1)[S@@](=O)Cc1cccc(Br)c1 32800970 ATJCNPLRRUKRHA-RKFFSXRUSA-N 384.270 3.864 0 40 GHAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1csc(Cc2ccc(Cl)cc2)n1 32923755 HIMQCGYDZMUIBX-LJQANCHMSA-N 397.931 3.800 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1cccs1 670675 UDUICXKHXTWCAL-UHFFFAOYSA-N 384.482 3.752 0 40 GHAB COc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2cccc3cccnc23)cc1 646765 ZAQLLAJOAFZIEC-UHFFFAOYSA-N 384.457 3.621 0 40 GHAB Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cnc(Cl)c(Cl)c2)c1 84210770 KYMSZFDGBJWKRZ-CQSZACIVSA-N 396.299 3.851 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 791930 KWNMDAHJXAIAPZ-ZDUSSCGKSA-N 396.871 3.519 0 40 GHAB CC(C)c1nc(SCC(=O)N2CCOCC2)c2c3c(sc2n1)CCCC3 1378857 IUVKVOJONWEQNK-UHFFFAOYSA-N 391.562 3.644 0 40 GHAB C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)C1CCOCC1 79025273 HBIZFHUYYBJWGX-KRWDZBQOSA-N 378.472 3.772 0 40 GHAB Cc1ccc(C[C@H]2CCCN2C(=O)c2c(F)ccc(S(C)(=O)=O)c2F)cc1 79072054 RZRGJOICFMESGM-OAHLLOKOSA-N 393.455 3.524 0 40 GHAB CC[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 24748498 ZFTKIWPMPGVWPL-ZDUSSCGKSA-N 388.489 3.635 0 40 GHAB CC(C)CN(CC(C)C)C(=O)COC(=O)c1cccc(Nc2ncccn2)c1 24776198 VCQKEPBZUYGGME-UHFFFAOYSA-N 384.480 3.518 0 40 GHAB CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@@H]1c1ccc(OC)cc1 3246566 CETZALDYZGSEQE-HXUWFJFHSA-N 396.512 3.964 0 40 GHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3566800 CICBSVNQGUMGJH-UHFFFAOYSA-N 398.406 3.742 0 40 GHAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccc(O)cc2)cc1 4221008 JLAOTQBYNHOMQU-UHFFFAOYSA-N 387.391 3.512 0 40 GHAB C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccnc1 12541071 XCDZMGXGTCZPDA-QGZVFWFLSA-N 386.455 3.888 0 40 GHAB CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(Cl)c1Cl 4944477 IKODIOXTGWBMTJ-VIFPVBQESA-N 384.288 3.673 0 40 GHAB COCCn1c(C)cc(C(=O)CSc2ccc3c(c2)OCCCO3)c1C 6436763 RJHCPLUNCVNABH-UHFFFAOYSA-N 375.490 3.888 0 40 GHAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 6867447 AFFBWMPFHUZMFC-UHFFFAOYSA-N 387.288 3.561 0 40 GHAB Cc1cccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)n1 12523547 BVOPRLRERRXWQM-UHFFFAOYSA-N 388.349 3.515 0 40 GHAB C[C@@H]1Cc2cc(C(=O)Nc3cccc4ccccc34)ccc2N1S(C)(=O)=O 10324098 SJZUNSMLIVRYTI-CQSZACIVSA-N 380.469 3.803 0 40 GHAB CC[C@H](C)N1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2C1=O 1962527 SIRMPTAPBADANO-KBPBESRZSA-N 379.412 3.509 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3F)n2)s1 58217629 ONAAFPCPPAPJBS-UHFFFAOYSA-N 377.828 3.711 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@]1(N(C)C)CCC[C@H](C)C1 58265260 YWZBKWHZWSXUEO-NYHFZMIOSA-N 386.515 3.869 0 40 GHAB Cc1cc(=O)oc2c(C)c(OC(=O)[C@H](C)NC(=O)OCc3ccccc3)ccc12 2152068 CLZUDOCSHIPPGG-HNNXBMFYSA-N 395.411 3.630 0 40 GHAB biogenic CC(C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 20766277 DITCTRMEHWAKPQ-UHFFFAOYSA-N 392.908 3.620 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)N2CCCC2)cc1 27990305 LEMOPESJSZRVKI-OAHLLOKOSA-N 377.282 3.917 0 40 GHAB COc1cccc(CCC(=O)N2CCCC[C@H]2c2nc(-c3ccncc3)no2)c1 72329858 CLTAHJUSRBREIX-IBGZPJMESA-N 392.459 3.827 0 40 GHAB CCc1ccc2c(COC(=O)[C@H]3Oc4ccccc4O[C@H]3C)cc(=O)oc2c1 10951500 JIPOIQROMCTMOZ-ZSEKCTLFSA-N 380.396 3.627 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 36613738 IXXXHDSDZDDKGH-LLVKDONJSA-N 381.432 3.917 0 40 GHAB Cc1nc2cc(NC(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)ccc2o1 11606132 YRKFKONEWNAGND-UHFFFAOYSA-N 377.448 3.914 0 40 GHAB CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCc4ccccc4C3)ccc12 11866534 RCLJYDCAHQOHRW-UHFFFAOYSA-N 377.440 3.628 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)nc1C 11916872 LYQWZKDIWVVSJS-UHFFFAOYSA-N 389.408 3.983 0 40 GHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1ccc(C(F)(F)F)cc1 12623441 WCKXHRXYBBCSHM-UHFFFAOYSA-N 389.377 3.581 0 40 GHAB CCCCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 102094563 ADYYPCXEMBFGHJ-TWFHAPMSSA-N 389.879 3.750 0 40 GHAB CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCOC)cc1 2704535 LITUSJCEQYJDRE-IBGZPJMESA-N 397.402 3.522 0 40 GHAB COc1cc(C)c(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)cc1OC 100756006 XVDHBKUQURBWAX-YLJYHZDGSA-N 394.519 3.664 0 40 GHAB O=C(Nc1ccccc1Cn1cccn1)N(Cc1cccnc1)C[C@H]1CCCO1 48251153 LSLLTRUIVYWSJZ-HXUWFJFHSA-N 391.475 3.540 0 40 GHAB O=C(CCc1nc2ncc(Br)cc2[nH]1)Nc1ccc2cc[nH]c2c1 72403755 ZTMBGUWTVMKRNR-UHFFFAOYSA-N 384.237 3.773 0 40 GHAB O=C(O)c1cc(Cl)c(NC(=S)NC(=O)c2cccs2)c(Cl)c1 59843154 JOWDWHNJUTYIPV-UHFFFAOYSA-N 375.258 3.880 0 40 GHAB C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(-n2cncn2)cc1 12760894 XLAPRVQCCGQJCJ-CYBMUJFWSA-N 395.513 3.872 0 40 GHAB COc1ccc([C@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3C2)cc1OC 101489377 GFHAFFBZMORLOE-YQQAZPJKSA-N 395.503 3.889 0 40 GHAB Cc1nccn1-c1ccccc1CNS(=O)(=O)c1cc(Cl)ccc1Cl 20455823 YIJUQLXVBBHQLW-UHFFFAOYSA-N 396.299 3.966 0 40 GHAB O=C(O)c1csc(-c2cccc(S(=O)(=O)NC3CCCCCCC3)c2)n1 38342415 DXDVVOQDRGLGNF-UHFFFAOYSA-N 394.518 3.900 0 40 GHAB in-vitro O=C(O)c1ccc(-n2c(/C=C/c3cccc(O)c3)nc3ccccc3c2=O)cc1 13087040 QJWWXLYAPVWUPJ-MDWZMJQESA-N 384.391 3.960 0 40 GHAB Cc1cc(C)cc(OCCN(C)C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 13013097 DWWZYSURFREBEJ-NRFANRHFSA-N 396.487 3.572 0 40 GHAB Cc1cccc(N2CCN(C(=O)/C=C/c3ccc4c(c3)OCCCO4)CC2)c1C 13096450 SXAXGOURAQSOMB-CSKARUKUSA-N 392.499 3.827 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1ccccc1N1CCCC1=O 13002088 WGRSLVIOEFUGDL-UHFFFAOYSA-N 389.249 3.593 0 40 GHAB O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)C1CCN(CC(F)(F)F)CC1 96003022 PTPOCEPTKMQJAC-QGZVFWFLSA-N 398.473 3.766 0 40 GHAB Cc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(C)cc2)cc1 9237353 RDNUTVYOOBCFQJ-MSOLQXFVSA-N 379.489 3.601 0 40 GHAB CC(C)(OC(=O)/C=C/c1ccc(O)cc1)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 13480103 YPULLITUOWRRPG-RXERPNITSA-N 392.407 3.837 0 40 GHAB biogenic,in-vitro COc1ccc2[nH]cc(C3CCN(C[C@H](O)COc4ccccc4)CC3)c2c1 64483088 QDZBWLXWOQOETB-SFHVURJKSA-N 380.488 3.796 0 40 GHAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCC1=CCCCC1 13693328 AYCYEUHZGLTFKB-UHFFFAOYSA-N 395.503 3.508 0 40 GHAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)c3c[nH]c4ccccc34)CC2=O)cc1 5105444 ZTQAVEPDODMHOG-MRXNPFEDSA-N 390.439 3.509 0 40 GHAB CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 408545430 LOPVCFQSINVLAG-UHFFFAOYSA-N 380.897 3.979 0 40 GHAB COC(=O)c1cc(NC(=O)COc2cc(C)ccc2C(C)C)cc(C(=O)OC)c1 14738741 ANQSFHQGYMAAQD-UHFFFAOYSA-N 399.443 3.709 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Cl)cc1)S2 6811764 UECVJNKRKKJIRA-IAGOWNOFSA-N 399.907 3.892 0 40 GHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[C@@H]1C=CCC1 9448714 ROYXNVUONUNIMA-MRXNPFEDSA-N 392.521 3.555 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2cc(C)ccc2C)cc1 4983029 AZQQUSDJKYGNQG-UHFFFAOYSA-N 388.533 3.579 0 40 GHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)COc2cccc(F)c2)CC1 7106051 PMJPFQQLLCTFHD-UHFFFAOYSA-N 391.874 3.639 0 40 GHAB N=c1sccn1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 7239082 PQTHNVTUOIGFTN-OAHLLOKOSA-N 386.864 3.653 0 40 GHAB CCn1c(CNC(=O)c2ccco2)nnc1SCc1ccccc1Cl 9582249 ZHGXXITXEWINHI-UHFFFAOYSA-N 376.869 3.767 0 40 GHAB COc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1Cc1ccccc1 16274610 NVVXRNIGRXEXGU-UHFFFAOYSA-N 399.450 3.635 0 40 GHAB CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 83869412 YCJJQWCAIFNDFU-HZPDHXFCSA-N 397.418 3.875 0 40 GHAB O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1ccccc1 17249741 LKYHWUIHARVDTO-UHFFFAOYSA-N 380.429 3.636 0 40 GHAB CCSc1nnc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)s1 8690661 ZGIHZAVRVCNZBL-LBPRGKRZSA-N 398.941 3.697 0 40 GHAB CCOC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)c1 18245000 HQGYQEJSRZMEHJ-AHRSYUTCSA-N 377.440 3.937 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc2nsnc12 19079533 LEKURTPEMZRAHG-UHFFFAOYSA-N 377.351 3.699 0 40 GHAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N1CCC(Cc2ccccc2)CC1 9952311 CUAKRIHTZOTBGL-QGZVFWFLSA-N 398.576 3.966 0 40 GHAB O=C(Nc1ccccc1O)c1cccc(=O)n1CCOc1ccccc1Cl 89814314 SUVRCARRTKTLQZ-UHFFFAOYSA-N 384.819 3.539 0 40 GHAB COc1cccc(Cn2cc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)cn2)c1 28236477 REARXPPZEWBQNZ-QFIPXVFZSA-N 390.487 3.543 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2csc(-c3ccco3)n2)c1 24593813 JEXYOCLKGVLJJT-UHFFFAOYSA-N 396.877 3.641 0 40 GHAB CCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cl)cc1 408554627 CWLICDGBXAGZSC-UHFFFAOYSA-N 396.896 3.678 0 40 GHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 408592996 LLPAUOXJSVLQKR-UHFFFAOYSA-N 386.517 3.903 0 40 GHAB CCCc1nc(S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)O)n[nH]1 213380932 VCZUIXVUQOYRFT-GDNBJRDFSA-N 399.428 3.933 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 56945250 QFYVOGCTXLSWBA-NRFANRHFSA-N 393.462 3.712 0 40 GHAB Cc1ccccc1Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2cccnc21 6805182 SNWRYSSMBKVNAQ-UHFFFAOYSA-N 391.858 3.617 0 40 GHAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)cc1Cl 32581083 QKBYCXMSQVUENO-UHFFFAOYSA-N 390.848 3.808 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@@H]2CCCCN2C(=O)c2ccn(C)n2)n1 72384159 UVJYOQGDYVHJFE-SFHVURJKSA-N 377.448 3.678 0 40 GHAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1nc(-c2ccc3c(c2)OCO3)cs1 32970966 JGKNCMMLVSAOSM-MRXNPFEDSA-N 394.408 3.779 0 40 GHAB CCOc1c(Cl)cc(C(=O)Oc2cc(=O)n3cccc(C)c3n2)cc1Cl 72427459 IUXGHLLOUQPWRZ-UHFFFAOYSA-N 393.226 3.928 0 40 GHAB CCc1cc(C(=O)N2CCC[C@H](c3nccnc3Oc3ccccc3F)C2)on1 72362958 KZJZVFMWEKHFAV-AWEZNQCLSA-N 396.422 3.978 0 40 GHAB Cc1cnc2cc(C(=O)Nc3ccc(C(=O)NCC(C)C)c(Cl)c3)ccn12 568193990 ZUZBSPQVJVFODB-UHFFFAOYSA-N 384.867 3.934 0 40 GHAB C[C@H]1CN(Cc2ccccc2CNC(=O)CCCc2ccccc2)C[C@@H](C)O1 48358225 LSLWCZOSXVAVIC-BGYRXZFFSA-N 380.532 3.935 0 40 GHAB COCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223347508 QLEMXXGUWWADNW-NRFANRHFSA-N 382.504 3.565 0 40 GHAB CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 49226686 RFDGXKHFWUDFEI-UHFFFAOYSA-N 388.489 3.511 0 40 GHAB COc1ccc2cc(C(=O)N3CCC(N4CCc5sccc5C4)CC3)[nH]c2c1 225689655 MWEWBFSCRIFGHK-UHFFFAOYSA-N 395.528 3.901 0 40 GHAB CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224799470 USHSWOQTSJATEC-UHFFFAOYSA-N 389.395 3.938 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1OC 222775771 RDYULYRZHBAKCQ-VQTJNVASSA-N 378.501 3.873 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1C(=O)O 226857060 WTYYWIOCWNDTDG-UHFFFAOYSA-N 383.425 3.861 0 40 GHAB CN(C(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccccc1 224184523 YGKHPRAPACRLQT-UHFFFAOYSA-N 386.498 3.850 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223871090 SJQTUUHFLNYWPF-VQIMIIECSA-N 389.517 3.742 0 40 GHAB Cc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1N(C)S(=O)(=O)c1ccccc1 224291531 DHNASRUKMQDEGV-HLIPFELVSA-N 398.528 3.739 0 40 GHAB CN(Cc1cccc2ccccc12)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 223884849 ZSIYWIBCAFPRJT-UHFFFAOYSA-N 394.496 3.787 0 40 GHAB O=C(Nc1cccc(OCc2cscn2)c1)N1CCOc2cc(O)ccc2C1 573710211 XMOCSTKCQULAAT-UHFFFAOYSA-N 397.456 3.854 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC(C)(C)C)c2)cc1 224068523 RTCBXCDEUPLOJM-UHFFFAOYSA-N 396.896 3.678 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 224266014 QTHCOADITPZUJF-NRFANRHFSA-N 396.531 3.934 0 40 GHAB CCCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 222991018 PCRFKBGBHHUNPX-LJQANCHMSA-N 396.531 3.961 0 40 GHAB O=C(c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12)N1CCC[C@H](O)C1 96266711 ONPIJYPRYNYKGR-KRWDZBQOSA-N 378.476 3.515 0 40 GHAB Cc1nc(CCN2C[C@@H](C(=O)O)[C@H](c3ccc(Br)cc3)C2)cs1 579248112 WWZVPNWCWYRIKW-JKSUJKDBSA-N 395.322 3.557 0 40 GHAB O=C(Cc1cccc(F)c1)NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98212598 SQWYBPSNXGBYHI-UHFFFAOYSA-N 378.451 3.544 0 40 GHAB Fc1ccc(-c2cnc3n2CCNC32CCN(Cc3ccccc3)CC2)cc1 96145056 VHUMFFVGRYDLQH-UHFFFAOYSA-N 376.479 3.784 0 40 GHAB Cc1nccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n1 257299046 RONGKPZQFLLEFF-GOSISDBHSA-N 382.851 3.995 0 40 GHAB C[C@@]1(c2ccnc3ccnn23)CCCN1C(=O)c1ccnc(Cc2ccccc2)c1 257215718 CRIGFOJAJONZNZ-DEOSSOPVSA-N 397.482 3.867 0 40 GHAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(C(=O)N3CCCCC3)C2)n1 257219120 DFQZIDRJZFUKNG-HNNXBMFYSA-N 386.525 3.689 0 40 GHAB CN(C)C(=O)c1sc2nc([C@H]3CCCCN3Cc3ccccn3)ccc2c1N 257245572 IQEISANKOLWICZ-QGZVFWFLSA-N 395.532 3.703 0 40 GHAB CN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1-c1ccccc1 64815187 ZNOVLISSMGOREQ-OAHLLOKOSA-N 376.378 3.727 0 40 GHAB O=C(C1CC(F)(F)C1)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1775996008 QRFYSXLAKZYAQR-LLVKDONJSA-N 378.341 3.763 0 40 GHAB O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)NC1CCOCC1 84341499 UHPGVRPWPWIUAP-UHFFFAOYSA-N 387.307 3.520 0 40 GHAB O=C(O)CCC/C=C/CC1=C2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1 1560408845 WJSHXLHNVHHJEO-NDOIVUAQSA-N 375.490 3.645 0 40 GHAB COc1ccc(OC)c(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)c1 12148004 CAHLWGZDOJOAPO-UHFFFAOYSA-N 390.443 3.652 0 40 GHAB O=C(CCc1ccccc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12877275 LMTMFVLWUBZQSG-UHFFFAOYSA-N 392.908 3.696 0 40 GHAB Cc1ccn2cc(-c3ccc(NC(=O)CNC(=O)c4ccccc4)cc3)nc2c1 13568847 BNVBXRHFMVWAQO-UHFFFAOYSA-N 384.439 3.678 0 40 GHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 14000376 OYIPVKNMYISFPB-YLJYHZDGSA-N 396.487 3.700 0 40 GHAB CCN(CC)C(=O)c1ccccc1NC(=O)CCCOc1ccc(OC)cc1 14400721 TVSCFFINHTURIM-UHFFFAOYSA-N 384.476 3.975 0 40 GHAB Cc1cc(-c2cnc(C3CCN(C(=O)c4ccncc4)CC3)nc2C(C)C)on1 19121663 NZCZLZXSTFSLSG-UHFFFAOYSA-N 391.475 3.978 0 40 GHAB O=C1NCCN(CC2CCCCC2)C[C@@H]1Cc1cccc(-c2cccnc2)c1 19331494 LYYXOSFFNCSXPF-QHCPKHFHSA-N 377.532 3.919 0 40 GHAB NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(CC2CCCCC2)C1 19348339 UPUOFEOMSJGZBB-DEOSSOPVSA-N 392.547 3.834 0 40 GHAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1[nH]c3ccccc3c1Cl)C2 19375982 DQZQBBFCQOMAKG-UHFFFAOYSA-N 391.862 3.525 0 40 GHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)CC)C1 19498433 DQUXAUUULSDISP-DEOSSOPVSA-N 378.516 3.969 0 40 GHAB COc1ccc(-c2cn3nc(-c4ccccn4)c(-c4ccccn4)nc3n2)cc1 19657298 BZCVURUNXDKZIR-UHFFFAOYSA-N 380.411 3.924 0 40 GHAB Cc1ccccc1CN1C(=O)CCCC[C@H]2N(C(=O)COC(C)C)CC[C@]21C 19713420 RAOHIPIVQQGXIQ-NFBKMPQASA-N 386.536 3.682 0 40 GHAB Cc1cc(C)c2nc3s/c(=C/c4cccc(Br)c4)c(=O)n3c2c1 4499022 WTXGBBYSQMGFMH-OQLLNIDSSA-N 385.286 3.836 0 40 GHAB CC(C)(C)c1ccc(OCc2nnc(Cn3cnc4sccc4c3=O)o2)cc1 1117207757 FLHRCLBKHXYFOF-UHFFFAOYSA-N 396.472 3.766 0 40 GHAB Cc1c(Cl)cccc1C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccncc1)C2 1565555651 FKXIMFCPMROXHO-UHFFFAOYSA-N 397.906 3.698 0 40 GHAB COC(=O)c1ccc(-c2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)cc1 4134717 WVPDFJIHEIWCSF-UHFFFAOYSA-N 398.440 3.866 0 40 GHAB COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)c1 4276134 AHOGSAPMFKWRJR-UHFFFAOYSA-N 382.401 3.616 0 40 GHAB Cc1ccccc1NC(=O)C(=O)NCCc1sc(-c2cccc(F)c2)nc1C 4375280 KAPWZHJQYOGNJO-UHFFFAOYSA-N 397.475 3.863 0 40 GHAB CCCCn1c(=O)c2oc3ccccc3c2n(Cc2ccc(OC)cc2)c1=O 4316120 OGQNHUOAEUVBGB-UHFFFAOYSA-N 378.428 3.766 0 40 GHAB Cc1cc(C)cc(NC(=O)C(=O)NCCc2csc(-c3cccc(F)c3)n2)c1 4375493 KPRIJCWDQBFJIH-UHFFFAOYSA-N 397.475 3.863 0 40 GHAB CCCCCn1c(=O)[nH]c2cc(C(=O)NC[C@H](CC)CCCC)ccc2c1=O 4791234 ARNDBFWRJNPTBG-MRXNPFEDSA-N 387.524 3.826 0 40 GHAB CCOc1ccc(-n2nnnc2CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 9570479 NXLVMRMZBWEARS-UHFFFAOYSA-N 399.454 3.658 0 40 GHAB CN(C)[C@H](CNS(=O)(=O)CCc1ccccc1)c1cccc2ccccc12 10335556 NATBYRLTHIUFEX-JOCHJYFZSA-N 382.529 3.605 0 40 GHAB CCOc1ccc(C(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)cc1 36700087 XVMMSCZJUYJKOG-JOCHJYFZSA-N 382.504 3.669 0 40 GHAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCS[C@H](c2ccccc2F)CC1 219162208 JAJAQYOBBJVKIC-IBGZPJMESA-N 393.505 3.630 0 40 GHAB FC(F)(F)Oc1ccc(OC2CCN(c3nccn4nccc34)CC2)cc1 2298092897 OYDAFKMHCLBYIS-UHFFFAOYSA-N 378.354 3.676 0 40 GHAB O=C([C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)N1CCC(F)(F)CC1 2298188685 KBLRRPKNCZJZTR-LBPRGKRZSA-N 377.357 3.575 0 40 GHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc(-n2ccnc2)cc1 30512853 HPNRLHFIOAORJB-UHFFFAOYSA-N 396.878 3.935 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 40155191 RXAVBTXVJBBGIZ-UHFFFAOYSA-N 392.458 3.607 0 40 GHAB CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 40146530 OSUDIHRZFAFVFE-OAHLLOKOSA-N 385.895 3.847 0 40 GHAB CC1=NN(c2ccc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2)CC1 40131681 CZXORMUMVBWMHN-UHFFFAOYSA-N 396.535 3.527 0 40 GHAB O=C(NCC[C@H]1CCCO1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 40145370 LTABUPCBRRXOIK-QGZVFWFLSA-N 384.432 3.685 0 40 GHAB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)N1CCC(CN2CCCCCC2)CC1 40121846 MGYXQMBMOKYVKV-MOPGFXCFSA-N 389.588 3.769 0 40 GHAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1cc(-c2cccc(Cl)c2)on1 31294197 YKJQIYNZJUFHDH-MRXNPFEDSA-N 378.762 3.737 0 40 GHAB CCOC(=O)c1ccn(-c2cccc(NC(=O)Cc3c[nH]c4ccccc34)c2)n1 31791388 KHSQZJOOEKQZLC-UHFFFAOYSA-N 388.427 3.712 0 40 GHAB Cc1ccc([C@H](CNC(=O)CCCc2c[nH]c3ccccc23)N2CCOCC2)o1 32842182 AZXPEBORAHNGGE-NRFANRHFSA-N 395.503 3.582 0 40 GHAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCc2sccc2[C@H]1c1ccccc1 52611493 PNVRPYZUCZTLIT-IFXJQAMLSA-N 380.469 3.634 0 40 GHAB C[C@@H](NC(=O)CCn1nc(-c2cccc(Cl)c2)ccc1=O)c1ccccc1 41253654 SRHIJXURSYTLSP-OAHLLOKOSA-N 381.863 3.831 0 40 GHAB CC(C)(C)c1cn2nc(N3CCC(C(=O)NCc4ccccc4)CC3)sc2n1 32908991 IVQRXCKSXZLFDK-UHFFFAOYSA-N 397.548 3.621 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2ccc(SCc3cscn3)cc2)on1 32905746 DDUFSZLKDNTDHA-UHFFFAOYSA-N 389.458 3.527 0 40 GHAB COC(=O)c1ccc(OCc2cc(OC)c(Br)cc2OC)cc1 22314583 FCDKCOMBFICUQX-UHFFFAOYSA-N 381.222 3.832 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccco1 806132 JPIOREIESGMIQC-UHFFFAOYSA-N 376.821 3.986 0 40 GHAB COc1ccccc1[C@@H](c1nnnn1C(C)(C)C)N1CCCc2ccccc21 1333228 DVJCXKBTBXXIKT-FQEVSTJZSA-N 377.492 3.979 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(I)cc2)cc1C 1424089 JJURRPUQJFEELN-UHFFFAOYSA-N 381.213 3.926 0 40 GHAB Nc1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1 2535346 MZJFDRLZHDOJLM-UHFFFAOYSA-N 384.230 3.675 0 40 GHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)c2ccc(C)cc2)cc1 3270768 JCMVRFCZPLZINR-HKUYNNGSSA-N 380.473 3.546 0 40 GHAB CC(C)C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N1C(=O)c2ccccc2C1=O 3440006 WIJMKVCYDZSSSP-SFTDATJTSA-N 390.483 3.891 0 40 GHAB Cc1cccc(Nc2nnc(SCn3nnc4ccccc4c3=O)s2)c1C 3519936 WHRQJCCLXIMFFI-UHFFFAOYSA-N 396.501 3.753 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)c3ccco3)s2)c1 4078006 BBTXNHGWFOFKEI-UHFFFAOYSA-N 388.474 3.731 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2cccs2)cs1 4325496 FKZOOMUTXUNZGA-UHFFFAOYSA-N 378.500 3.674 0 40 GHAB COc1ccccc1C(=O)NC1CCN(C(=S)Nc2cc(C)ccc2C)CC1 4857535 SSLBDXBNYJZLMK-UHFFFAOYSA-N 397.544 3.903 0 40 GHAB O=C1C[C@@]2(CC(c3ccc(Cl)cc3Cl)=NO2)C(=O)N1c1ccccc1 5071956 OLNREBMBBBDSBN-SFHVURJKSA-N 375.211 3.820 0 40 GHAB CCOc1ccc(N2C[C@H](NC(=O)Nc3nc4ccccc4s3)CC2=O)cc1 5192928 AKIWVQLYZAMDGM-CYBMUJFWSA-N 396.472 3.622 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 5577988 IKCCQCACSHGYNG-UHFFFAOYSA-N 398.937 3.749 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1 5980920 XODADFKXVFYCHX-UHFFFAOYSA-N 375.808 3.702 0 40 GHAB O=C(COC(=O)c1cc2ccccc2cc1O)N[C@H]1CCCc2ccccc21 6122274 LIQJJSWSRLUYDS-FQEVSTJZSA-N 375.424 3.896 0 40 GHAB COc1ccc(-c2nc(CC(=O)NCc3ccc(F)cc3)cs2)cc1OC 6305824 XMLOQNSZJRMLDM-UHFFFAOYSA-N 386.448 3.825 0 40 GHAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1 6629693 WOBLBCYPQYUQHD-INIZCTEOSA-N 381.476 3.533 0 40 GHAB COC(=O)c1c(NC(=S)Nc2ccc3c(c2)OCCO3)sc(C)c1C 6792534 ZZALXVNNPXEFSF-UHFFFAOYSA-N 378.475 3.732 0 40 GHAB CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1cccc(C)c1)S2 6812164 UQEUXTQLMDACJK-RTBURBONSA-N 393.516 3.937 0 40 GHAB CC(C)CCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 6906735 FGAZKNHZUPTQHS-IRLDBZIGSA-N 387.483 3.800 0 40 GHAB biogenic O=C(Nc1ccccc1C(=O)NCCCn1cnc2ccccc21)c1ccco1 7113837 DTGDJKAVIZNUHG-UHFFFAOYSA-N 388.427 3.702 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)no1 7473021 CLKDXCSLFQPNJY-CYBMUJFWSA-N 399.451 3.616 0 40 GHAB CSc1ccccc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 7872149 VEGHZJNDSKJDJQ-LBPRGKRZSA-N 398.937 3.855 0 40 GHAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1nnc(-c2cccc(Cl)c2)n1 8393056 MQKHLCIYTRHZHB-OAHLLOKOSA-N 395.894 3.821 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)cc1C 8414229 KYSUGUXQYVKSGR-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CCc1ccc(-c2n[nH]c(SCC(=O)c3ccc4c(c3)OCCO4)n2)cc1 8484051 OCDGPKYYNWJQJR-UHFFFAOYSA-N 381.457 3.780 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2OC)cc1 8917218 SJSLRZHCOOMMCY-CYBMUJFWSA-N 383.404 3.550 0 40 GHAB CC(=O)Nc1nc(CSc2nnc(Cc3cccs3)n2C2CC2)cs1 8988522 FSNVCQMPPBPGJD-UHFFFAOYSA-N 391.547 3.973 0 40 GHAB C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)c1c[nH]c2ccccc12 9074455 HUDUVVYGDZTCDN-LLVKDONJSA-N 380.425 3.640 0 40 GHAB CCCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)C3CCCCC3)ccc21 9167695 VISKEJGDKVEODW-UHFFFAOYSA-N 394.537 3.923 0 40 GHAB CCOC(=O)c1c(NC(=O)CNc2cc(F)cc(F)c2)sc(C(C)=O)c1C 9314847 YLMQZFGXTRVXRR-UHFFFAOYSA-N 396.415 3.765 0 40 GHAB CCOc1ccc(N2C[C@@H](c3nc(-c4ccc(OC)cc4)no3)CC2=O)cc1 9318668 GCVOJZZOVCWKNG-HNNXBMFYSA-N 379.416 3.664 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1 9460081 ATXCQPWOOBWUEA-UHFFFAOYSA-N 394.427 3.871 0 40 GHAB CN1C(=O)[C@]2(OCc3ccccc3N2C(=O)/C=C/c2ccco2)c2ccccc21 10157778 QPNDSZVDLVFXON-MDRMPYQZSA-N 386.407 3.686 0 40 GHAB COc1ccc(S(=O)(=O)N2CCC(CCc3ccccc3)CC2)cc1OC 10680705 ZFVUHXUYMYDHMC-UHFFFAOYSA-N 389.517 3.737 0 40 GHAB C[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1c[nH]nc1-c1ccc(Cl)cc1 12116733 HWTXOFOJCIZJMA-CQSZACIVSA-N 399.878 3.842 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(C(=O)c3ccoc3)C2)on1 12123477 WNLGYJUWASUGBN-HNNXBMFYSA-N 391.431 3.614 0 40 GHAB COC(=O)c1ccc(CCC2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)cc1 12147686 JVFVYCUHTMNVHZ-UHFFFAOYSA-N 383.492 3.805 0 40 GHAB CCOC(=O)[C@H]1CCCN(c2ncc(-c3cc(C)no3)c(-c3cccs3)n2)C1 12154333 WZEPWVLCXDBMPB-AWEZNQCLSA-N 398.488 3.948 0 40 GHAB Cc1c(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N(C)C)oc2c(C)cccc12 12203772 FMMQMWHVUMPYLF-KRWDZBQOSA-N 380.444 3.811 0 40 GHAB Cc1cc(C(C)(C)C)oc1C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 12225300 STCFMNPWJWZOLS-UHFFFAOYSA-N 396.487 3.683 0 40 GHAB COc1cc([C@H]2CC(=O)Nc3nc(N)sc32)ccc1OCc1ccccc1F 12419593 UOZLTYULZBEWIW-CYBMUJFWSA-N 399.447 3.926 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)c1ccccc1 12506856 LZYZYYHEGTXMQK-UCFODXPJSA-N 395.846 3.721 0 40 GHAB CSc1ncc(C(=O)NCC(=O)Nc2cccc(C)c2C)n1-c1ccccc1 12573614 NWFRTQIUTCUMPL-UHFFFAOYSA-N 394.500 3.580 0 40 GHAB O=C1CCCN1c1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 12633282 JFAAFNKHAIXHBI-UHFFFAOYSA-N 388.406 3.825 0 40 GHAB O=C(CNc1ccc(F)c(Cl)c1)Nc1cc(Cl)ccc1-n1cncn1 12757963 IEZTUHHBIAGXSJ-UHFFFAOYSA-N 380.210 3.764 0 40 GHAB Cc1cccc(-c2nnc(S)n2CCC(=O)NCc2cccc(Cl)c2)c1 12908262 MTMLWTKXGNWMOH-UHFFFAOYSA-N 386.908 3.902 0 40 GHAB Cc1ccccc1/C=C/C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 12994830 ZSZJGYQUWSIAEM-RMKNXTFCSA-N 392.455 3.614 0 40 GHAB CCCCc1c(O)nc(SCC(=O)Nc2ccc(C(C)C)cc2)[nH]c1=O 13453763 MNXQYTBKIOWBEU-UHFFFAOYSA-N 375.494 3.672 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)CSc3ccc4c(c3)OCCO4)ccc12 14115470 GAPUTEXLEOSYMG-UHFFFAOYSA-N 383.425 3.603 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H]1CCSc2ccc(F)cc21 15200194 QYDPNBBNWRVPOQ-GOSISDBHSA-N 384.476 3.848 0 40 GHAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(F)c(Cl)c1 16205867 RLFAWRLLWZSDEX-UHFFFAOYSA-N 391.805 3.977 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O 16819057 DLXHAPNKOVSKAU-CALCHBBNSA-N 375.472 3.848 0 40 GHAB CSc1ncc(C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)n1-c1ccccc1 17741888 NRROIRYMEXGZQF-SFHVURJKSA-N 395.484 3.581 0 40 GHAB Cc1ccnn1CCC(=O)N1CCCC[C@H]1c1ccnc2cc(C(C)(C)C)nn12 19238458 YETASGWBRNZXAB-KRWDZBQOSA-N 394.523 3.676 0 40 GHAB NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(F)c2)C1 19293778 SPLLBBKTWFBMEF-DEOSSOPVSA-N 389.474 3.808 0 40 GHAB C[C@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1nc2ccccc2s1 19459856 NOVGVFCMNZHMEV-LBPRGKRZSA-N 379.445 3.551 0 40 GHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCC2)C1 19591387 HPCHDDYNIVFIMV-DEOSSOPVSA-N 394.490 3.800 0 40 GHAB COc1ccc(CCC2CCN(C(=O)c3ccc(-n4cccn4)nc3)CC2)cc1 19663787 KTCAJYWZTUBYFK-UHFFFAOYSA-N 390.487 3.761 0 40 GHAB Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)C(C)C)CC1 19700055 JJELWTNAXSFPKK-UHFFFAOYSA-N 378.516 3.955 0 40 GHAB CC(C)CNC(=O)c1cccnc1[C@H]1CCN(C(=O)c2cc3ccccc3o2)C1 19707949 LOJHDTSTOUVLBC-KRWDZBQOSA-N 391.471 3.843 0 40 GHAB CCn1ccnc1CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F 19713172 SQZIBCJWMIQWAI-UXHICEINSA-N 384.499 3.588 0 40 GHAB COc1ccc(C(=O)Nc2nc([C@@H]3COc4ccccc4O3)cs2)c(OC)c1 20462947 KGRVPWCBEYYVMW-SFHVURJKSA-N 398.440 3.925 0 40 GHAB CC[C@@H](C)NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 22275301 HASFANKSBMWYLK-GOSISDBHSA-N 388.533 3.722 0 40 GHAB COc1ccc([C@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCC3)cc1OC 22407377 NJWXCTDDGUGMBQ-HSZRJFAPSA-N 381.496 3.581 0 40 GHAB C[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 22892608 YVWWZTPWFRZKBC-XSXQVXRUSA-N 379.460 3.598 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NC(=O)c2ccco2)s1 23694035 FRHBPDRVZIJEJL-UHFFFAOYSA-N 384.413 3.594 0 40 GHAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(OC)cc3)cc2)c1C 24648057 JPWNRADNVLNBOM-UHFFFAOYSA-N 379.416 3.618 0 40 GHAB CC(C)n1ncc2cc(C(=O)OCc3cc(Cl)c4c(c3)OCCO4)cnc21 24886097 OKIMCEYPQUDFCT-UHFFFAOYSA-N 387.823 3.794 0 40 GHAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCCC4)nc3)n2)cc1 25107372 NPAIVHBZKRCWOF-UHFFFAOYSA-N 377.448 3.612 0 40 GHAB COc1ccc(NC[C@@H](O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 27588788 UGHPRPRYFKEVIZ-HXUWFJFHSA-N 377.440 3.778 0 40 GHAB Cc1cc(OCn2ccc(C(=O)NCc3ccc4c(c3)OCO4)n2)ccc1Cl 27972816 XRDVUPLCHCHSKQ-UHFFFAOYSA-N 399.834 3.540 0 40 GHAB CC(C)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 28207099 PYTVKSPRUXTAPB-MRXNPFEDSA-N 386.517 3.602 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccsc1 29414952 BFANRFNOOKVGCX-HXUWFJFHSA-N 382.533 3.806 0 40 GHAB CC[C@H](NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccccc1 30756085 SXMJQCPRHXOXJA-KRWDZBQOSA-N 394.924 3.682 0 40 GHAB O=C(Nc1ccc2c([C@@H](C(=O)O)N3CCSCC3)c[nH]c2c1)c1ccccc1 32094559 LUFHMKXWNJWCAW-IBGZPJMESA-N 395.484 3.595 0 40 GHAB Cc1cccc(C)c1NC(=O)c1ccc(CSc2nc(N)cc(N)n2)cc1 32117651 KHMMFPCRVOKZPC-UHFFFAOYSA-N 379.489 3.802 0 40 GHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(OCc2cccnc2)cc1 32410602 VVKCOLGRHHILIF-UHFFFAOYSA-N 376.412 3.662 0 40 GHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc3c(C)nn(CC(C)C)c3s2)no1 32776175 BOEVIVXWGPWTCQ-LBPRGKRZSA-N 390.465 3.543 0 40 GHAB O=C(Cc1csc(COc2ccccc2)n1)N1CCN(c2ccccc2)CC1 33326175 YVHVAZSMZXTUKK-UHFFFAOYSA-N 393.512 3.613 0 40 GHAB O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)Nc1ccc(F)c(F)c1F 35592776 YACOHJAWNWTXPA-UHFFFAOYSA-N 376.290 3.669 0 40 GHAB COc1ccc(-c2ccc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)cc2)cc1 36293924 QVOYNMQWWYYZBY-UHFFFAOYSA-N 397.452 3.539 0 40 GHAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc(OC)c1O 36355012 YIZOLRGTSVZLHR-CQSZACIVSA-N 383.379 3.858 0 40 GHAB O=C(CSCc1cccs1)NCc1ccc(OC[C@H]2CCCO2)cc1 40107514 SKPNAUSBVWCFMU-QGZVFWFLSA-N 377.531 3.856 0 40 GHAB C[C@]1(C(=O)OCc2cc3c(cc2Br)OCCO3)CC1(Cl)Cl 40158938 WUNTUMCNPSRVMA-CYBMUJFWSA-N 396.064 3.847 0 40 GHAB Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 45748022 UPAZKAOQAFHRAU-CYBMUJFWSA-N 377.213 3.961 0 40 GHAB COc1cccc(-c2noc(Cc3nnc(-c4cccc(F)c4)o3)n2)c1OC 49405279 ODPPDBFUSHADMJ-UHFFFAOYSA-N 382.351 3.534 0 40 GHAB Cc1noc(CCNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1 65476976 JJWBNAAZLYSMPR-UHFFFAOYSA-N 381.219 3.621 0 40 GHAB CCCCn1c(SCC(=O)N2CCCC[C@H]2CC)nc2cc(C)[nH]c2c1=O 67238360 NORAEEKNOXQPSK-OAHLLOKOSA-N 390.553 3.716 0 40 GHAB CC1(C)[C@@H](C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3F)c2)[C@H]1C(=O)O 71285244 FMBJRVPRJNRNMJ-CVEARBPZSA-N 388.370 3.512 0 40 GHAB COc1ccccc1OCc1ccc(C(=O)Nc2cc(-c3ccncc3)n[nH]2)o1 72255813 QCNFKBNUMWQQAU-UHFFFAOYSA-N 390.399 3.905 0 40 GHAB O=C(c1cnccn1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72349216 NYDOOZGMAJJJRV-UHFFFAOYSA-N 376.435 3.621 0 40 GHAB Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cn(C)nc4C)C3)n2)c1 72362602 GNONHHBHSNEUIX-QGZVFWFLSA-N 391.475 3.639 0 40 GHAB CCOC(=O)[C@@]1(Cc2cc(-c3cccc(C)c3)no2)CCCN(C(=O)C2CC2)C1 72394127 FMZIGOXPNDRYTP-HSZRJFAPSA-N 396.487 3.774 0 40 GHAB Cc1ccc(CN(Cc2ccncc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 72395063 UWJGZVWRVJDJDQ-FYYLOGMGSA-N 377.488 3.946 0 40 GHAB O=C(NCCOc1ccccc1)N(CCc1ccccc1)Cc1ccccn1 77200805 RAOZNAVZWWDZRH-UHFFFAOYSA-N 375.472 3.915 0 40 GHAB Cc1sc2nc(S[C@H]3C[C@@H](C)OC3=O)n(C3CCCC3)c(=O)c2c1C 84065447 JTYYTHTWELAIPZ-RNCFNFMXSA-N 378.519 3.986 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@@H](CNCCc2ccc(Br)cc2)C1 89223576 KVQRGIKKXQIIGT-HNNXBMFYSA-N 383.330 3.838 0 40 GHAB O=C(C1=Cc2cc(Cl)ccc2OC1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 95451204 VZHNWPBGKHTNAS-CRAIPNDOSA-N 391.801 3.729 0 40 GHAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21)NC1CC1 96052997 KZHIQRKJZDARII-MRXNPFEDSA-N 378.472 3.610 0 40 GHAB Cc1ccoc1C(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CC1)c1ccccc12 96242297 IWYOXPJGRCJEQI-KRWDZBQOSA-N 392.499 3.918 0 40 GHAB Cc1noc(C)c1CC(=O)NC[C@H]1CC[C@H](c2n[nH]cc2-c2ccncc2)CC1 100731903 LQHTXCXPDHLXRP-MAEOIBBWSA-N 393.491 3.709 0 40 GHAB C[C@@H](NC(=O)CSc1nnc(NCc2ccco2)s1)[C@@H]1C[C@H]2CC[C@H]1C2 104106060 HNCHGABBPUPJPL-OSFYFWSMSA-N 392.550 3.776 0 40 GHAB Cc1cc(CS(=O)(=O)c2nc(C)c(C)n2[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)on1 107342077 BOLGUMXMXLLPST-OVWQWFNUSA-N 377.510 3.767 0 40 GHAB CCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 113874379 GGOPYGAOHFLYTK-UHFFFAOYSA-N 388.272 3.752 0 40 GHAB CC[C@H](NC(=O)CCc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 220020200 GQXFYJHLWBHDGU-SFHVURJKSA-N 379.909 3.944 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 222386634 YCZGUYOZMRUUBP-SFHVURJKSA-N 382.504 3.661 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 222444742 UHXKADPWKRGHIL-SFHVURJKSA-N 384.545 3.700 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl 222633185 NOQMYMUZUSGQGB-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 223223087 ANRUKAWOAYJHGP-GOSISDBHSA-N 376.859 3.575 0 40 GHAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2o1 223326745 JBHJFBVZKKJTCL-UHFFFAOYSA-N 392.742 3.594 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 223626302 OTHQWHDKRUNCIT-IBGZPJMESA-N 382.504 3.544 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 224108595 YVARUOAUDIJQBU-LJQANCHMSA-N 382.504 3.563 0 40 GHAB CC[C@H](C(=O)NCC1=CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224306048 WSUFVOBJFZNFNX-QGZVFWFLSA-N 384.929 3.501 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccc(CN2CCCCC2)c1 224672387 RNABYNOKPIFSPR-UHFFFAOYSA-N 392.952 3.946 0 40 GHAB Cc1ccc(C(=O)NCCCc2ccccc2)c(I)c1 225026040 JDQXBLVRAHWWNT-UHFFFAOYSA-N 379.241 3.962 0 40 GHAB CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1C 225571780 FPZAVIQDAJEBEU-FQEVSTJZSA-N 386.517 3.661 0 40 GHAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 225618021 HXVSRDUJVPVHFK-OAQYLSRUSA-N 376.497 3.612 0 40 GHAB COc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)cc1 257229031 FWJSYLMVJZVMIJ-YOSAUDMPSA-N 395.547 3.858 0 40 GHAB Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCC[C@H](C)C3)n2)o1 260717620 ONVKNFJXEVNXJK-NSHDSACASA-N 379.917 3.754 0 40 GHAB CN1CC2(C1)CN(Cc1ccccc1)C[C@]21CCCN(Cc2ccco2)CC1 306132727 LQMKNZZXURCYNH-HSZRJFAPSA-N 379.548 3.700 0 40 GHAB CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3nc(C)sc3c2)C1 408975348 AQEAMXVGFUDMIJ-CQSZACIVSA-N 390.578 3.882 0 40 GHAB CC(C)Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccncc1 409098118 IJURYUNNCSZLKX-UHFFFAOYSA-N 385.468 3.866 0 40 GHAB COCCn1c(Cc2ccccc2)nnc1SCCOc1ccc(C)cc1 409108421 TUILLNPDRMTNAA-UHFFFAOYSA-N 383.517 3.995 0 40 GHAB O=C(C[C@H](c1ccsc1)n1cccc1)NC1CCN(Cc2cccnc2)CC1 524733121 WKMLYZPYCACQRH-OAQYLSRUSA-N 394.544 3.705 0 40 GHAB CNC(=O)c1ccc(OC)c(NC(=O)C[C@H](c2ccsc2)n2cccc2)c1 524735411 AWWTWEWDYUGJBA-QGZVFWFLSA-N 383.473 3.536 0 40 GHAB CN1CCN([C@@H](c2ccccc2)c2nc(C(C)(C)Cc3ccccc3)no2)CC1 561391445 CVUGBHSKGSZAPJ-NRFANRHFSA-N 390.531 3.927 0 40 GHAB CC(=O)N1c2ccc(S(=O)(=O)N(C)c3ccccc3C(C)C)cc2C[C@@H]1C 585083511 YZKTYBYZJNFHDI-HNNXBMFYSA-N 386.517 3.933 0 40 GHAB COCC1(C2CC2)CN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)C1 634051652 SCWNBRIGCBFQGF-UHFFFAOYSA-N 379.504 3.775 0 40 GHAB O=C(C[C@]12CCCC[C@@H]1C2(F)F)Nc1cccc(C(=O)N=c2cc[nH]cc2)c1 667814292 MTCNVDWJTPHHSI-FXAWDEMLSA-N 385.414 3.910 0 40 GHAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cs1 673439521 DFGQJYABPACIKC-CYBMUJFWSA-N 378.519 3.729 0 40 GHAB O=C(Cc1ccccc1Cl)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549167054 LBSKZLDYARMERG-UHFFFAOYSA-N 398.890 3.608 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3Br)ccc12 895388 XTBLYGIMHIBIAM-UHFFFAOYSA-N 388.217 3.881 0 40 GHAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)N1CCC(C)CC1 904876 ARJYQHRTVHVDSS-UHFFFAOYSA-N 388.537 3.536 0 40 GHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)n1c(=O)oc2cc(Cl)ccc21 1087784 OSAJECODAHHNIU-UHFFFAOYSA-N 393.182 3.540 0 40 GHAB COC(=O)c1ccc(NC(=S)N(Cc2cccnc2)Cc2ccco2)cc1 1350947 MCNXZFIQBFEHFY-UHFFFAOYSA-N 381.457 3.860 0 40 GHAB CC(=O)Oc1cccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)c1 1509579 SCMAUEOQZSSKCF-YBEGLDIGSA-N 386.201 3.719 0 40 GHAB COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)c1 1517388 YXCWSGZFSAPDRD-UHFFFAOYSA-N 390.395 3.898 0 40 GHAB Cc1c(C)c2ccc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)c(C)c2oc1=O 2095745 AESIJEFYMLWLHD-ZDUSSCGKSA-N 375.421 3.537 0 40 GHAB biogenic COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1C[C@@H](C)C[C@H](C)C1 2376566 UXOLHNJYWXVTEH-STQMWFEESA-N 391.899 3.914 0 40 GHAB Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccco1 2386490 WGKDQQMVVNXXMV-UHFFFAOYSA-N 393.266 3.568 0 40 GHAB COc1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)c(OC)c1 2633955 DEMHSMJAXNJUST-UHFFFAOYSA-N 379.412 3.581 0 40 GHAB CCn1cc(C(=O)Nc2cc(C)c(Cl)cc2OC)c(=O)c2ccc(C)nc21 3017608 ZTPDPMPFRGJSTK-UHFFFAOYSA-N 385.851 3.948 0 40 GHAB CCOC(=O)c1c(NC(=O)CN(C)C2CCCCC2)sc(C(C)=O)c1C 3347269 CHLZBQSOONPRIK-UHFFFAOYSA-N 380.510 3.639 0 40 GHAB C[C@H](C(=O)Nc1ccccc1)N(C)CCOc1ccc(Br)cc1 3426518 BAFGJGITHRQTCJ-CQSZACIVSA-N 377.282 3.787 0 40 GHAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(=O)c3ccccc3o2)c(C)c1 3472391 YKTVEIUIZQYXBG-HNNXBMFYSA-N 379.412 3.902 0 40 GHAB O=C1c2ccccc2C(=O)N1CCSc1nnc(C2CC2)n1-c1ccccc1 3520136 VYQNZVMJAYGBBI-UHFFFAOYSA-N 390.468 3.533 0 40 GHAB CCCCNC(=S)N(Cc1cccnc1)Cc1cc2cccc(C)c2[nH]c1=O 4127450 MHYQZXCEWJXTLJ-UHFFFAOYSA-N 394.544 3.908 0 40 GHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 4325505 OONRXGYHHCSKPV-UHFFFAOYSA-N 390.461 3.752 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccc(Cl)cc1 4328044 XSQSOIJOXZYREU-UHFFFAOYSA-N 396.863 3.571 0 40 GHAB Fc1cccc(-c2cc3nc4c(c(N[C@H]5CN6CCC5CC6)n3n2)CCCC4)c1 4980760 LXPSYXAUJILCMQ-NRFANRHFSA-N 391.494 3.920 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ccc(Cl)cc1 5106020 ZCIIMYQHLIXBNS-UHFFFAOYSA-N 398.937 3.630 0 40 GHAB COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=O)NCc2ccccc2)c1 5256357 VDVPUFLAZOVEQE-JOCHJYFZSA-N 391.471 3.820 0 40 GHAB CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 5401181 GIWWJQKZJLMKQJ-CYBMUJFWSA-N 375.856 3.765 0 40 GHAB O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)NC1CCCC1 5610348 NBKSCSLEAGLMMB-UHFFFAOYSA-N 387.892 3.837 0 40 GHAB Cc1cc(C(=O)COc2cccc3ccccc23)c(C)n1[C@@H]1CCS(=O)(=O)C1 6010611 WXPFFWLLLGGPEZ-GOSISDBHSA-N 397.496 3.879 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3cccs3)o2)c1C 6462882 IZCVGOHWQOVHIY-JTQLQIEISA-N 391.474 3.893 0 40 GHAB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1nc2ccccc2c(=O)[nH]1 6604544 DMADJRYSTAVJPN-JTQLQIEISA-N 394.412 3.555 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 7751598 VESCZPLBABNCGZ-UHFFFAOYSA-N 387.277 3.614 0 40 GHAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 7842996 ORFUWYXOXGIEGS-UHFFFAOYSA-N 386.757 3.997 0 40 GHAB CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Br)cc2)C1=O 8091643 YHEJVWHBJLXZSW-XNTDXEJSSA-N 387.233 3.551 0 40 GHAB O=C(OCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)c1ccccc1O 8447607 RBEOHZNIIJOCFH-IBGZPJMESA-N 389.407 3.716 0 40 GHAB Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)c4ccco4)s3)CC2=O)c1 8654687 JSGNREZJSREPTI-CYBMUJFWSA-N 382.445 3.521 0 40 GHAB Cc1ccccc1-n1cnnc1S[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 8706001 PEELATJRSHCBQZ-GOSISDBHSA-N 382.464 3.827 0 40 GHAB CCCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cccs3)cc21 9171710 PECQBFJDRHUUDI-UHFFFAOYSA-N 394.518 3.711 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2cnc3ccccc3n2)C1 9319816 HEGYCXMUDVHSQA-AZUAARDMSA-N 388.515 3.984 0 40 GHAB C[C@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)N1CCCCCC1 9585073 MJOJTHKAVCMTEU-SFHVURJKSA-N 380.488 3.787 0 40 GHAB Cc1cc(SCC(=O)N[C@@H](C)[C@@H](O)c2ccc(O)cc2)nc2ccccc12 9912311 KHZGSTZCACIPMG-LHSJRXKWSA-N 382.485 3.579 0 40 GHAB CC(=O)Nc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 10092379 DYYAOFHEINWXRM-HXUWFJFHSA-N 385.895 3.865 0 40 GHAB CCOc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)c(OC)cc1OC 10789167 MOACDZZQSLLQIU-UHFFFAOYSA-N 393.823 3.551 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(OC(F)F)cc1 11515681 RLRWKSZTOBCACH-UHFFFAOYSA-N 399.397 3.590 0 40 GHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21 12180370 DBFZBHNTWKRKMV-UHFFFAOYSA-N 378.881 3.830 0 40 GHAB COc1ccc2cnc([C@H]3CCCN(C(=O)c4cnc(C)cn4)C3)cc2c1C 12187900 XKMXPBWBTPFKSL-KRWDZBQOSA-N 376.460 3.670 0 40 GHAB COc1ccc(C(=O)C2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)cc1 12739912 CIVRJSZWKXXJED-HNNXBMFYSA-N 385.435 3.723 0 40 GHAB CNC(=O)c1ccc(/C=C/C(=O)Nc2ccnn2Cc2ccccc2Cl)cc1 12755736 KFYAUPQENCAXMD-DHZHZOJOSA-N 394.862 3.596 0 40 GHAB Cc1cccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)c1C 12757071 PZVGDUMMVFKRCB-UHFFFAOYSA-N 385.423 3.548 0 40 GHAB Cc1sc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)nc1-c1ccc(Cl)cc1 12770347 RLOGQMFKQRAEKL-LBPRGKRZSA-N 375.881 3.721 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(F)cc4s3)CC2=O)cc1 12786470 YWFKRQHEJSBLKK-ZDUSSCGKSA-N 383.448 3.989 0 40 GHAB CN(CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C(=O)c1ccco1 12792934 AXSPVBGCLCHNOZ-UHFFFAOYSA-N 399.516 3.915 0 40 GHAB COc1cc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc(OC)c1 12924237 MKBWCBACRCJROB-UHFFFAOYSA-N 381.428 3.998 0 40 GHAB COc1ccc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 12999877 STNDKXJCZGRCFX-UHFFFAOYSA-N 379.416 3.509 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)[C@@H]1Cc2ccccc2S1)N1CCCC1 13009233 FPZQQLKLRGQRGH-NQIIRXRSSA-N 382.529 3.665 0 40 GHAB Cc1ccc(C(=O)N/C(=C/c2sccc2C)C(=O)NCc2cccnc2)cc1 13223422 RSPJIHVLOMJHOK-XDHOZWIPSA-N 391.496 3.847 0 40 GHAB CCOc1cccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 13668914 RAFDUABKVURNRS-UHFFFAOYSA-N 390.505 3.613 0 40 GHAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 14003354 PPXGLWGJCGQFAE-INIZCTEOSA-N 378.428 3.924 0 40 GHAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 14060970 KDJSXJQGFBAXIS-QMMMGPOBSA-N 386.304 3.858 0 40 GHAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)[C@@H]1CCCN1C(=O)c1ccco1 14199645 MUFMCQHCDQAZAJ-CABCVRRESA-N 390.892 3.891 0 40 GHAB CCc1ccccc1NC(=O)COc1ccc(I)cc1 14316510 XPDNGUFJGJBNMF-UHFFFAOYSA-N 381.213 3.871 0 40 GHAB CC(C)NC(=O)COC(=O)c1cccnc1Sc1cccc(C(F)(F)F)c1 14599159 DKNTUUSUNDZWQJ-UHFFFAOYSA-N 398.406 3.933 0 40 GHAB O=C(NC(=S)/N=c1\[nH]c2ccc(O)cc2s1)c1cccc2ccccc12 17077589 FMKGGIKRBFIYRQ-UHFFFAOYSA-N 379.466 3.704 0 40 GHAB Cc1ccc2oc(C(=O)N3CCCC[C@H]3c3ncc4c(n3)CCNC4)cc2c1 19221324 NLIKADHGHKLAQJ-SFHVURJKSA-N 376.460 3.544 0 40 GHAB COc1ncc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cn1 19565112 HVYILHZHILYBIS-UHFFFAOYSA-N 389.406 3.647 0 40 GHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)C4CCCCC4)nn3cn2)cc1 19575513 PPHGGEKTCPGIBT-CQSZACIVSA-N 379.464 3.557 0 40 GHAB COc1cccc(Cc2ccc([C@@H]3CCCN(Cc4ccnn4C)C3)nc2)c1 19690296 BZLDGRWJYQQDHW-HXUWFJFHSA-N 376.504 3.794 0 40 GHAB COc1cccc(Cn2cc(NC(=O)c3ccc4c(c3)ncn4C3CC3)cn2)c1 19714341 LICWVRJGYHKUAL-UHFFFAOYSA-N 387.443 3.877 0 40 GHAB Cc1cc(C)c2nc(C)c(C(=O)NC3CCN(Cc4ccccn4)CC3)cc2c1 19715321 VKENRJLXIGKHLC-UHFFFAOYSA-N 388.515 3.949 0 40 GHAB Cn1nccc1CN1CCC([C@H]2CCCCN(CCc3ccccc3)C2=O)CC1 19743949 USOZKCKGFYGOOH-HSZRJFAPSA-N 394.563 3.504 0 40 GHAB O=C(NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(F)cc1 20151883 RSMUUSHANYLYFV-UHFFFAOYSA-N 387.219 3.958 0 40 GHAB O=C(COc1ccccc1F)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 20610451 IBIGXWGVWYSVMZ-UHFFFAOYSA-N 380.354 3.716 0 40 GHAB CCc1nc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2s1 22255039 VCYCADPEQCFJTC-UHFFFAOYSA-N 378.475 3.677 0 40 GHAB O=C(c1ccncc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 22474750 FINCLLXHYOYYFU-UHFFFAOYSA-N 393.437 3.907 0 40 GHAB CCc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3ccco3)nc12 22997360 SEIVCBYXNPUEQR-UHFFFAOYSA-N 399.516 3.821 0 40 GHAB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2OC(F)F)cc1 24638105 QQGOVDVFPYCQFJ-NSHDSACASA-N 377.343 3.675 0 40 GHAB CN(CCCNC(=O)c1ccc(NC(=O)c2ccco2)s1)Cc1ccccc1 24991758 XDFLKJWWKQKUKB-UHFFFAOYSA-N 397.500 3.845 0 40 GHAB Cc1ccc([C@@H](NC(=O)CN(C)C(=O)c2ccco2)c2ccccc2)cc1C 25032747 OXFBWZTYYUIERO-QFIPXVFZSA-N 376.456 3.874 0 40 GHAB O=S(=O)(/N=c1/cccc[nH]1)c1ccc(Sc2ccc(Cl)cc2)nc1 25066923 GLUGNODTNGTAMI-UHFFFAOYSA-N 377.878 3.504 0 40 GHAB CC(C)[C@@H](CNC(=O)CCc1ccc2c(c1)OCO2)N1CCc2ccccc2C1 25539301 JEEFXNINGDBGJZ-OAQYLSRUSA-N 394.515 3.547 0 40 GHAB O=C(Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21)c1ccccc1 27789128 VDLXMSYOZIYYSD-UHFFFAOYSA-N 383.451 3.892 0 40 GHAB Cc1sc2ncn(C[C@H](O)CO[C@@H](C)c3ccc(Cl)cc3)c(=O)c2c1C 29333169 FRSIHCGMWFJONV-LRDDRELGSA-N 392.908 3.867 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1cncc(Br)c1)c1ccsc1 31987612 IJMWDTWGAMMHAR-OAHLLOKOSA-N 382.327 3.719 0 40 GHAB COc1ccc(OC)c(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)c1 32674887 KJVUWFPDMDQGFJ-UHFFFAOYSA-N 375.494 3.645 0 40 GHAB Cc1cnc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)cn1 32900682 NKNJYIKCWLXRFH-UHFFFAOYSA-N 376.445 3.561 0 40 GHAB Cc1csc(NC(=O)CSc2nnc3c4ccccc4nc(C(C)C)n23)n1 35314732 VZRBJBRLAAPKCB-UHFFFAOYSA-N 398.517 3.897 0 40 GHAB CC(C)C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 35870902 JSJBXROAMHVGOI-JSXRDJHFSA-N 394.515 3.546 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)s1 38904698 DHQGBNHDVKPCFO-UHFFFAOYSA-N 386.452 3.969 0 40 GHAB Cc1cccc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)n1 40285052 XXQKGJZEEPAQQV-UHFFFAOYSA-N 388.518 3.683 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(=O)c2ccccc2o1 48344693 XZESTDOLAJKNML-UHFFFAOYSA-N 397.452 3.762 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=O)C3=NO[C@H](c4ccccc4)C3)sc2c1 55184040 ZYYHCWWXTSADDY-INIZCTEOSA-N 380.429 3.711 0 40 GHAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccnc1N1CCOCC1 56152195 BBBHEFHBEOLUOG-VOTSOKGWSA-N 377.366 3.589 0 40 GHAB O=C(NCCCc1nc2ccccc2[nH]1)C1CCN(Cc2ccccc2)CC1 57152992 NDEJEUIZJXEWMS-UHFFFAOYSA-N 376.504 3.524 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 57291872 RQXMZFKMCMLDBS-YJBOKZPZSA-N 383.458 3.522 0 40 GHAB Cc1cc(CN(C)c2cncc(-n3cccn3)n2)cc(C)c1OCC(F)(F)F 58081797 WPYJMTNCGJEASZ-UHFFFAOYSA-N 391.397 3.857 0 40 GHAB Clc1ccc(-n2nnnc2SCc2nnc(Cc3ccccc3)o2)cc1 58166612 GEKXSIAXGLWTAL-UHFFFAOYSA-N 384.852 3.582 0 40 GHAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(OCC(F)(F)F)c3)C2=O)cc1 58427835 DUFURZWPMYRIBD-LJQANCHMSA-N 392.377 3.903 0 40 GHAB Cc1nnc2c(SCC(=O)Nc3ccc(F)cc3F)nc3ccccc3n12 64949019 RHTCDDUKCHEACE-UHFFFAOYSA-N 385.399 3.595 0 40 GHAB COc1ccccc1-c1nc(CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cs1 65516176 PYANZDLVAZQNQY-NRFANRHFSA-N 393.468 3.786 0 40 GHAB COCCN(C(=O)c1cccn(Cc2ccccc2)c1=O)[C@@H](C)c1ccccc1 65540031 UINCTRILRONNIP-IBGZPJMESA-N 390.483 3.746 0 40 GHAB O=C1O[C@@H](C(=O)Nc2ncccc2OCC2CCCCC2)Cc2ccccc21 65548727 DADNGMITBSQCRW-LJQANCHMSA-N 380.444 3.761 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CN1CCC(c2nnc3ccccn23)CC1 67442820 UUSSALUGZRQDSX-UHFFFAOYSA-N 383.883 3.509 0 40 GHAB COc1cc(C(=O)OCCNC(=O)OC(C)(C)C)ccc1OCCC(C)C 69415361 GMWYFYQBJVNPKJ-UHFFFAOYSA-N 381.469 3.802 0 40 GHAB Fc1ccccc1-c1ccccc1CN1CCn2c(nnc2[C@H]2CCCNC2)C1 72372156 AMLWOIZFZNIUCK-KRWDZBQOSA-N 391.494 3.567 0 40 GHAB COC(=O)c1nc(NC(=O)c2c(C)noc2C)sc1CCc1ccccc1 72405404 PMPDFRRIUFRJDY-UHFFFAOYSA-N 385.445 3.572 0 40 GHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC(C)CC2)C12CCCCC2 79482753 GIDYUSLESBLBJK-NRFANRHFSA-N 398.547 3.834 0 40 GHAB COCCn1c(C)cc(C(=O)COC(=O)c2cc3c(s2)CCSC3)c1C 84079660 RDVXYQLCNYUIRO-UHFFFAOYSA-N 393.530 3.642 0 40 GHAB CC(C)(C)n1/c(=N/C(=O)CC[C@H]2Cc3ccccc3NC2=O)[nH]c2ccccc21 84325725 VNLYACUHLMUBHE-INIZCTEOSA-N 390.487 3.743 0 40 GHAB COc1cccc2c1NC(=O)[C@@]21Nc2ccccc2C(=O)N1c1ccc(F)cc1 96191942 GVSCYJIDNKSPNW-JOCHJYFZSA-N 389.386 3.712 0 40 GHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100664327 GYOGOLMBCHDXQQ-GLRKZIRRSA-N 398.462 3.805 0 40 GHAB CN1C[C@H](NC(=O)c2ccc(COc3ccc(F)cc3)o2)[C@H](c2ccccc2)C1 108146334 RGUKOPCUGJZQRD-SFTDATJTSA-N 394.446 3.825 0 40 GHAB COc1ccccc1OCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 134268959 IIWBUDFEWPQCMG-UHFFFAOYSA-N 375.837 3.885 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H](C1)C2(F)F 169804872 PIFOPINFRFMDTD-HOTGVXAUSA-N 396.434 3.757 0 40 GHAB Cc1cc2ncc(CCCNC(=O)Nc3ccc(C(F)(F)F)cc3)cn2n1 206823861 CENGGGJNONHXRQ-UHFFFAOYSA-N 377.370 3.811 0 40 GHAB COc1ccc(CCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1OC 219282921 WKAZJHQKECFVGG-UHFFFAOYSA-N 395.459 3.653 0 40 GHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 219329500 KXQYKOMPIOHTSO-CQSZACIVSA-N 375.425 3.753 0 40 GHAB CCc1ccccc1NC(=O)CCNC(=O)c1ccc2c(c1)nc(Cl)n2C 222548672 SUFAWMHFSBBJSN-UHFFFAOYSA-N 384.867 3.548 0 40 GHAB Cc1nccn1Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 222742595 DLZCERXICQKKAP-OAHLLOKOSA-N 377.444 3.502 0 40 GHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 222866810 SFPJWRPIRGKKET-WOJBJXKFSA-N 377.517 3.709 0 40 GHAB COc1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 224386044 XBRKEFYBENEBHB-STZFKDTASA-N 390.439 3.684 0 40 GHAB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1 224486678 OAYQNXMUCWHZOG-FQEVSTJZSA-N 380.532 3.851 0 40 GHAB O=C(NCCOc1ccc(F)cc1)C1CCN(Cc2ccccc2Cl)CC1 224533624 HYOYSLZMRFCQPM-UHFFFAOYSA-N 390.886 3.886 0 40 GHAB O=C(NCCSCc1ccco1)/C(=C/c1ccco1)NC(=O)c1ccccc1 224965432 QOMRSWKPEXTSFX-RGEXLXHISA-N 396.468 3.693 0 40 GHAB O=C(O)[C@H](Cc1cc(Cl)cc(Cl)c1)N1CCN(c2ccccc2)CC1 225146625 RWAOWCOTPNHBCW-SFHVURJKSA-N 379.287 3.811 0 40 GHAB COCC(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2ccncc2)CC1 257213004 CFUNXYVXRSTKME-SAABIXHNSA-N 382.508 3.698 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(C)c2)CC1 257234856 GVJIDSZJISQISE-PTLVVNQVSA-N 393.531 3.733 0 40 GHAB COc1ccc2[nH]c(C(=O)N3C[C@H]4CC[C@H](Oc5cccnc5)[C@H]4C3)cc2c1 257245877 IRMHWBPOYFPUSF-IBZMOEQTSA-N 377.444 3.501 0 40 GHAB Cc1noc(C)c1-c1cnc(CC[C@@H]2CCCN2Cc2ncccc2F)cn1 257264428 LUHYUOYOYSWYPS-KRWDZBQOSA-N 381.455 3.880 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCc2cccc(OC)c2)[C@@H]1c1ccccc1C 257265866 MAROCPGUGRDXPX-IRLDBZIGSA-N 380.488 3.620 0 40 GHAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(C(=O)c3ccccc3)C2)n1 257268094 MKENQQVBXYAOCX-INIZCTEOSA-N 379.489 3.923 0 40 GHAB O=C(CN1CCCCC1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257305872 SRXBDFRJFRUKPW-GOSISDBHSA-N 385.483 3.596 0 40 GHAB NCCCOc1ccc(C(=O)N2[C@H](c3ccccc3)C[C@H]3NCCCC[C@@H]32)cc1 257320226 VVVUKXHHSPGFRA-VJBWXMMDSA-N 393.531 3.512 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 408559522 XOYVATIURQXHSA-OAHLLOKOSA-N 390.505 3.723 0 40 GHAB O=C(Nc1nc2ccccc2s1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 518666178 FNMHTWQHINTERF-OAHLLOKOSA-N 380.429 3.595 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NCC[C@@H](CCO)c2cccs2)c1C 575606868 KHSDYSUNQGZCAR-KRWDZBQOSA-N 381.563 3.816 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(Oc4ccsc4)CC3)CC2=O)cc1C 575621153 YGYJPZFXDQOYDZ-KRWDZBQOSA-N 398.528 3.788 0 40 GHAB CC(C)OC(=O)NC[C@@H]1CCC2(CCN(c3ncc4ccccc4n3)CC2)CO1 585101136 ILFLTCPDUNCJCZ-SFHVURJKSA-N 398.507 3.530 0 40 GHAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3csc(-c4ccccc4)n3)C2)n1 585147450 ZQSKMMBCQQYTHL-KRWDZBQOSA-N 394.500 3.901 0 40 GHAB O[C@H](COCc1ccccc1Cl)CN1CC[C@@H](Cc2ccc(F)cc2)C1 605902348 AXTIIJDSGACXBK-PXNSSMCTSA-N 377.887 3.921 0 40 GHAB COc1cc(NC(=O)N2CCO[C@H](C(F)(F)F)[C@@H]2C)cc(Cl)c1OC 626597068 PZXPWRCKSZACSP-SDBXPKJASA-N 382.766 3.541 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 653534578 RSPUGXILVXQSIU-AFAVFJNCSA-N 384.480 3.746 0 40 GHAB CC(C)c1nnc(Cn2cc(Br)c(-c3ccc(F)cn3)n2)s1 664068427 OSTQDMNUKXTTGA-UHFFFAOYSA-N 382.262 3.870 0 40 GHAB C=CC(=O)Nc1ccc(C(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 1639169610 TXKSSVQQWVTOCD-OAQYLSRUSA-N 376.456 3.805 0 40 GHAB COc1ccccc1C1(C(=O)NC[C@H](O)c2cc(-c3ccco3)cs2)CC1 1775968556 RCEXFRMWVTVGLQ-INIZCTEOSA-N 383.469 3.898 0 40 GHAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)[C@@H]4[C@H]5CCCC[C@H]54)CCO3)n2)s1 2037834679 BWMPYNKIEKIKSB-JHDROBOHSA-N 398.532 3.926 0 40 GHAB O=C([C@@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1)N1CCC(F)(F)CC1 2298188687 VOIQCVAQSIKCQZ-GFCCVEGCSA-N 377.357 3.575 0 40 GHAB COc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc(OC)c1OC 835966 HWFYLIIYIPJCKW-UHFFFAOYSA-N 396.399 3.810 0 40 GHAB O=C(O)[C@H]1CS[C@H](c2c(-c3ccccc3)nn(-c3ccccc3)c2Cl)N1 940104 ONWWAQHJGGGUDX-RDTXWAMCSA-N 385.876 3.981 0 40 GHAB Cc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccncc2)c(C)c1 1328560 UOOITVOXTWVAFT-UHFFFAOYSA-N 393.516 3.661 0 40 GHAB Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)CC(C)(C)C)c3nnnn3c12 1376778 LPDAKROJIUQHAI-GOSISDBHSA-N 395.507 3.530 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1[C@H](C)CCC[C@H]1C 3237211 GVJXUNJWICYAKE-IAGOWNOFSA-N 378.538 3.573 0 40 GHAB CC1=C(C(N)=O)[C@@H](c2cccc(C)c2)n2nc(-c3cccc(Cl)c3)nc2N1 4574541 GGDBFSPRGZPLRK-QGZVFWFLSA-N 379.851 3.681 0 40 GHAB CC(=O)c1s/c(=N\c2ccc(C)cc2C)n(CCCN2CCOCC2)c1C 4940144 ZYJLYVNCGRXOIC-DQRAZIAOSA-N 387.549 3.632 0 40 GHAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OCC)cc2)cc1 6026128 BGSUOKAOHKRECA-UHFFFAOYSA-N 385.489 3.951 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)o1)N[C@H]1CCCc2ccccc21 6543845 RRERVVRLQTYSAS-SFHVURJKSA-N 379.485 3.946 0 40 GHAB CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 6852445 YDNXFXHFWRMSFI-UHFFFAOYSA-N 388.272 3.585 0 40 GHAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O 6938255 CBMGTGYPRAKLLI-UHFFFAOYSA-N 397.500 3.887 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 7688667 SFXWBHIOPWAOSQ-UHFFFAOYSA-N 394.424 3.744 0 40 GHAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 7881870 VAQRPJVQJNWEJE-ZDUSSCGKSA-N 388.851 3.739 0 40 GHAB Cc1cc(C(=O)CSc2nccn2-c2cccc(F)c2)c(C)n1-c1ncn[nH]1 7989603 HIHUMBFEYJSCFZ-UHFFFAOYSA-N 396.451 3.512 0 40 GHAB O=C(NCCc1cccs1)c1ccc(OCc2cn3ccccc3n2)cc1 8132044 NSNJHPGDNIASJP-UHFFFAOYSA-N 377.469 3.947 0 40 GHAB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(Cc2nc3ccccc3s2)C1=O 8156513 MWIFXZBGHQQAKC-OAQYLSRUSA-N 393.468 3.589 0 40 GHAB COc1ccc2cc(CN(C)C(=O)CNC(=O)c3cccc(C)c3)ccc2c1 8360851 NNGJTXRQRVLFIH-UHFFFAOYSA-N 376.456 3.545 0 40 GHAB COc1cc(Cn2nc(-c3cccs3)c3sc(C)nc3c2=O)cc(OC)c1 8956052 BDALPYHGRJVGSV-UHFFFAOYSA-N 399.497 3.955 0 40 GHAB CCOc1ccc(N/C(CC)=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 9009865 YYLIKZOJMZVFPY-HTXNQAPBSA-N 393.443 3.753 0 40 GHAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc21 9137634 NIQCJEDSTFFRGD-UHFFFAOYSA-N 390.439 3.981 0 40 GHAB Cc1c(Cl)cccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccccc1 9237863 KOXFWHRCZCMWRN-IAGOWNOFSA-N 399.907 3.946 0 40 GHAB Cc1csc2nc(CN[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)cc(=O)n12 9994366 DMOLNVRFKMJOIU-HXUWFJFHSA-N 399.516 3.713 0 40 GHAB CCc1ccc2c(COC(=O)[C@H]3Oc4ccccc4O[C@@H]3C)cc(=O)oc2c1 10951515 JIPOIQROMCTMOZ-ASSNKEHSSA-N 380.396 3.627 0 40 GHAB O=C(CN[C@H](c1ccccc1)c1cccs1)c1c[nH]c(C(=O)N2CCCC2)c1 12810575 AINYWAMGPLPKAU-OAQYLSRUSA-N 393.512 3.874 0 40 GHAB O=C(NCCCCOc1ccc(OCc2ccccc2)cc1)c1cnccn1 12823016 WZBPYZQDSLXIJC-UHFFFAOYSA-N 377.444 3.645 0 40 GHAB Cc1ccc(CN(C)C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12981036 NFUUATVHEZXGDN-FQEVSTJZSA-N 380.488 3.562 0 40 GHAB CN(CC(=O)NC(C)(C)C)C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 13004739 NRXNYYHUZIGRPO-SOFGYWHQSA-N 376.806 3.745 0 40 GHAB O=C(c1cc(F)cc(F)c1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 13012642 CAOFHFRCXYQALE-UHFFFAOYSA-N 380.394 3.716 0 40 GHAB CCOC(=O)c1sc2nc(/C=C/c3c(F)cccc3F)[nH]c(=O)c2c1C 13141422 NPFLHHQBYCCRGH-BQYQJAHWSA-N 376.384 3.918 0 40 GHAB COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)cc1C(=O)O 13341233 KVUJGEZKPVSEMH-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H](C)Oc1ccccc1 13850154 VLGBJWMMFWLQLA-OAHLLOKOSA-N 388.537 3.979 0 40 GHAB Cc1cccc(Nc2nc(-c3ccc(CCNS(C)(=O)=O)cc3)cs2)c1 14102803 QVPPZNILDWLPPO-UHFFFAOYSA-N 387.530 3.954 0 40 GHAB COc1ccc(Cl)cc1-n1nnc(C(=O)Nc2ccc(F)cc2F)c1C 15673835 HIDKINBVXQNCSR-UHFFFAOYSA-N 378.766 3.768 0 40 GHAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N2CCCCC2)cc1 16442188 NRWYBJTXTVSWIX-INIZCTEOSA-N 381.476 3.760 0 40 GHAB Cc1ccc(OCCNCC(=O)N[C@H](C)c2ccccc2Br)cc1 16695495 NNUMNGOLZJYPID-OAHLLOKOSA-N 391.309 3.603 0 40 GHAB CC[C@@H](Oc1ccccc1)C(=O)N1CCCN(C)c2nc3ccccc3nc21 17364416 HIMNCLUECJEMHM-LJQANCHMSA-N 376.460 3.660 0 40 GHAB COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4ccccc4F)C[C@H]23)c1 19019451 GCPPELHTAPDHCX-MQSCRBSSSA-N 382.479 3.671 0 40 GHAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)C3CCCC3)CC1)N2 19128532 IGTJESCLHUPIFO-JKSUJKDBSA-N 384.446 3.908 0 40 GHAB Cc1ccc(C2(CN3CCC(NC(=O)C4CCOCC4)CC3)CCCC2)cc1 19208510 UZHMLAFDBYBGTO-UHFFFAOYSA-N 384.564 3.814 0 40 GHAB COc1ccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)cc1 19555281 YMVHCQYSFWURBL-FQEVSTJZSA-N 376.460 3.568 0 40 GHAB CSc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)c1 19935669 XPQHMFOSZBLREL-UHFFFAOYSA-N 394.493 3.584 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)C(c1ccccc1)c1ccccc1 20649969 YHRBNCKYWUANLQ-NRFANRHFSA-N 390.483 3.601 0 40 GHAB CN(Cc1cccc(F)c1)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 22981429 MZJBRZUOEZRLFN-UHFFFAOYSA-N 394.233 3.501 0 40 GHAB COC(=O)c1ccc(OCC(=O)N(C)C2CCC(C)CC2)c(Br)c1 23082443 KSKPTXOFDWTGEH-UHFFFAOYSA-N 398.297 3.652 0 40 GHAB C[C@H](NC(=O)C1CC1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 23181452 SNXVFWOKNAKOTF-YWZLYKJASA-N 387.524 3.665 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2nc(SC)ncc2Cl)c1 25607992 NVNGNFQQNPQFJB-AWEZNQCLSA-N 393.896 3.846 0 40 GHAB CCN(Cc1ccccc1)[C@@H](c1ccncc1)c1nnnn1Cc1ccccc1 26438778 DDKJNRXKHUTYQD-QFIPXVFZSA-N 384.487 3.728 0 40 GHAB Cc1nn(-c2ccc(NC(=O)Cn3nnc4ccccc43)cc2)c(C)c1Cl 28304703 UJEPIGVNIBYOSC-UHFFFAOYSA-N 380.839 3.526 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)N3CCc4sccc4[C@H]3C)CC2=O)cc1 30548003 NXXRTDZAMVZTFX-CABCVRRESA-N 384.501 3.646 0 40 GHAB CN(CC1CCCCC1)C(=O)c1cn(-c2ccccc2Br)nn1 32818153 OUAOIOXCKDEPMJ-UHFFFAOYSA-N 377.286 3.682 0 40 GHAB CC(C)CCn1c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nc2ccccc21 32950423 UJQQFULTXXJEEQ-IYBDPMFKSA-N 375.538 3.810 0 40 GHAB CCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1cccc(C)c1 33004669 IPMLDFYXEIMKGG-UHFFFAOYSA-N 397.456 3.919 0 40 GHAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 35289351 XUVUMSOMGHHTNK-FQEVSTJZSA-N 398.459 3.771 0 40 GHAB CCc1nc2sc([C@H](c3ccc(C)cc3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 36104915 DNIVMLGDZJVAFY-CPUCHLNUSA-N 386.521 3.566 0 40 GHAB CCc1ccc(N2CN(Cc3ccccn3)Cn3c2nc(C)c(CC)c3=O)cc1 38829906 RTJVEADVAZGFJP-UHFFFAOYSA-N 389.503 3.640 0 40 GHAB Cc1cc(CN2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)no1 39981903 ZMBCKJGEUFKTMR-UHFFFAOYSA-N 375.472 3.537 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3nncs3)nn2-c2ccccc2)cc1 44397468 SSQMPBLCQMSTOA-UHFFFAOYSA-N 377.429 3.652 0 40 GHAB CC(C)CCN(C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)C1CC1 48217578 LFYLEOSEWFRTJL-UHFFFAOYSA-N 378.538 3.558 0 40 GHAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccnc(N(C)C)c2)c1Cl 51221559 DMEBGPFZGCFEIF-UHFFFAOYSA-N 382.247 3.558 0 40 GHAB NC(=O)c1ccc(CSc2ncccc2C(=O)N2CCCCCCC2)cc1 56319719 YQLKLGINCICCCD-UHFFFAOYSA-N 383.517 3.879 0 40 GHAB O=S(=O)(Nc1cccnc1-n1cncn1)c1ccc(C2CCCCC2)cc1 58438905 PGWYRXXWTJBPEQ-UHFFFAOYSA-N 383.477 3.511 0 40 GHAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 61720296 SFOYQYCGDBJZLF-IJEWVQPXSA-N 384.863 3.549 0 40 GHAB COc1cc(/C=C/C(=O)N[C@@H](C)C(=O)O)ccc1OCc1ccc(Cl)cc1 62715132 MJSMKWTVQMQFRC-PPOCWRSBSA-N 389.835 3.530 0 40 GHAB COc1cccc(-n2cc(C(=O)O)c3c2[C@H](c2cccc(F)c2)CC(=O)N3)c1 66087461 IYGCZJNKVZWMCV-INIZCTEOSA-N 380.375 3.797 0 40 GHAB O=C(CCn1ccnn1)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 68681193 OWAPCCDDANRODJ-UHFFFAOYSA-N 377.379 3.787 0 40 GHAB COc1ccc(C2(CNC(=O)Cn3ccc4c(C)cccc43)CCOCC2)cc1 72325008 MBHHSSLYHYZGOE-UHFFFAOYSA-N 392.499 3.823 0 40 GHAB biogenic Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(Cc3ccccn3)C2)on1 72342924 XLELESCGKQBXSW-QGZVFWFLSA-N 388.475 3.776 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCCN2C(=O)c2cnccn2)n1 72383777 MZZUWCJBGQIPCD-KRWDZBQOSA-N 393.422 3.874 0 40 GHAB C[C@H](NC(=O)C1CCN(c2cnccn2)CC1)c1nc(-c2ccccc2)cs1 78655041 KYNCKXQHWUWIRW-HNNXBMFYSA-N 393.516 3.694 0 40 GHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1nc2ccc(F)cc2[nH]1 78963811 OEESMWWITJLKJK-UHFFFAOYSA-N 397.841 3.839 0 40 GHAB Cc1cc(N2CCOCC2)ccc1NC(=O)[C@H](C)n1ccnc1-c1ccccc1 89589081 BVNWFXRVAZZOIK-SFHVURJKSA-N 390.487 3.895 0 40 GHAB Cc1cc2oc(=O)cc(CN3CCN(c4ccc(O)cc4)CC3)c2cc1Cl 89609043 RQZKNEADAFZILQ-UHFFFAOYSA-N 384.863 3.783 0 40 GHAB Cc1ccc(NC(=O)N[C@@H](C)c2ccon2)cc1NC(=O)N[C@@H](C)c1ccon1 95462254 ZSGWPPNKCMCNQF-STQMWFEESA-N 398.423 3.736 0 40 GHAB Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)c1 100626175 PRLYJWJHXKEZHV-ILHTXMRTSA-N 398.462 3.805 0 40 GHAB CCCOC(=O)c1cccc(NC(=O)CSCC(=O)Nc2ccccc2)c1 167231613 DLOZYAQVEXRIAR-UHFFFAOYSA-N 386.473 3.564 0 40 GHAB C[C@H](C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222917096 DBYFPVQZZKKQCW-QGZVFWFLSA-N 394.446 3.695 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 224266160 UZWHWEWBNOQBFE-NRFANRHFSA-N 396.531 3.934 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 224980158 LOQIFZHCZGHPMY-SFHVURJKSA-N 382.504 3.571 0 40 GHAB CSc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2C)cc1 224984392 AMRXAWVGQBABCM-UHFFFAOYSA-N 385.894 3.650 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)c(C)c1 225184286 WXFSKJGDWWIXBS-UHFFFAOYSA-N 391.533 3.967 0 40 GHAB CC1(C)COc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2OC1 225361614 ZRVWXKCFXPVFHV-UHFFFAOYSA-N 384.451 3.586 0 40 GHAB COC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2C)sc2c1CCCC2 225593561 AHKJYTXUQSRKBC-UHFFFAOYSA-N 383.466 3.662 0 40 GHAB C[C@H]1Cc2ccccc2N1CCCNC(=O)Cc1cccc(Br)c1 225622374 IDIWKQXEMRVNJE-HNNXBMFYSA-N 387.321 3.949 0 40 GHAB C[C@H]1CN(C(=O)c2ccc(-c3ccc(N)cc3Br)o2)C[C@@H](C)O1 226301745 KLYCHSRVOMPQPQ-PHIMTYICSA-N 379.254 3.541 0 40 GHAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3csc(-c4ccccc4)n3)C2)c1F 239808091 KGXRHGLZLJXIER-CQSZACIVSA-N 398.463 3.595 0 40 GHAB Cc1ccccc1-c1nc2sc(=Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 254308145 PEZJTPXBXKRFPI-UHFFFAOYSA-N 388.279 3.981 0 40 GHAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)N3CCCN(C)CC3)c1O)OC2(C)C 257216293 CTWNSZRVLUPMIY-KBAYOESNSA-N 386.536 3.861 0 40 GHAB CN1CCN(C(=O)C2(Cc3ccccc3)CCOCC2)C[C@@H]1c1ccccc1 257268362 MLJSSASSDXWZEE-JOCHJYFZSA-N 378.516 3.541 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)N(C)C4CCCCC4)cc3)C(=O)[C@@H]2C1 408684792 PLOIKRPPHXRLNL-VQTJNVASSA-N 380.488 3.937 0 40 GHAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 409172393 GZRRLJWYDVOIAI-UHFFFAOYSA-N 393.395 3.872 0 40 GHAB CC1(C)CN(CC(=O)Nc2nccs2)[C@H]1C1CCN(Cc2ccccc2)CC1 664836566 OQNAYMHUVCBVNB-FQEVSTJZSA-N 398.576 3.704 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ccc(C3CC3)nn2)C1 827736389 GZEVUOFAQVBESZ-QGZVFWFLSA-N 384.911 3.583 0 40 GHAB c1ccc2c(N3CCC(COc4cc5c(nn4)CCCC5)CC3)ncnc2c1 1565523498 PAJOGZFHNLZOGS-UHFFFAOYSA-N 375.476 3.594 0 40 GHAB O=C(c1ccccc1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@]21CCOC1 1565542807 USFOMIUUIMHINL-VWLOTQADSA-N 390.527 3.832 0 40 GHAB CCOc1ccccc1CN1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615128430 JSCBTVUYYXKENT-QHCPKHFHSA-N 398.478 3.622 0 40 GHAB CCN(CC)CCOc1cccc(NC(=O)c2ccc3c(NC)ncnc3c2)c1 1647956971 QELDRNPMGBUEOA-UHFFFAOYSA-N 393.491 3.644 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCCCC3)cc2)cc1 724922 MAHRDZKGSUSFFY-UHFFFAOYSA-N 383.517 3.808 0 40 GHAB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)C3CC3)c3nnnn3c2c1C 1367413 STXIBWMQRHWLMM-UHFFFAOYSA-N 399.498 3.876 0 40 GHAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)NC1CCCCC1)c1cccc(F)c1 1377983 VDIXYYGXCWHKPI-PMACEKPBSA-N 387.499 3.983 0 40 GHAB COc1ccc(CNC(=O)[C@@H](OC(=O)c2cccs2)c2ccccc2)cc1 1381241 CPQWAQVGNILYCL-IBGZPJMESA-N 381.453 3.971 0 40 GHAB CN(C)CCNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3 2206968 BUFSPPRZEBZAIM-UHFFFAOYSA-N 396.560 3.749 0 40 GHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 2622487 SHGDRYDLALKNMB-IBGZPJMESA-N 376.815 3.715 0 40 GHAB O=C(COC(=O)Cc1ccccc1F)NC(c1ccccc1)c1ccccc1 3234677 KMTXFUGFPTVUIV-UHFFFAOYSA-N 377.415 3.817 0 40 GHAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)C2=O 3244960 ASTHKKAZFABEDK-UHFFFAOYSA-N 398.290 3.823 0 40 GHAB COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)cc1 3285828 YZGJDMWQNCUULF-NHCUHLMSSA-N 392.499 3.707 0 40 GHAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)c1ccc2c(c1)OCCO2 3365588 WCSBJYKWVHUDML-UHFFFAOYSA-N 384.403 3.835 0 40 GHAB Cc1ccc(COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 3372828 UUTPVIDNMWASEI-UHFFFAOYSA-N 375.380 3.741 0 40 GHAB O=S(=O)(NCc1ccc2c(c1)OCO2)c1cc(C(F)(F)F)ccc1Cl 3416074 CSVXCHMWUUGLNW-UHFFFAOYSA-N 393.770 3.566 0 40 GHAB CCCCNC[C@@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@H]1O 4429916 IJYOEYVFODZMCS-PTPLUZMZSA-N 381.564 3.864 0 40 GHAB COc1ccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c(OC)c1 4944715 WHWCTNRAAFUGFC-MRXNPFEDSA-N 399.830 3.689 0 40 GHAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1 5099652 DWVAMQLYGPKDTE-UHFFFAOYSA-N 386.517 3.985 0 40 GHAB Cc1cc(SCC(=O)OCc2nc3ccsc3c(=O)[nH]2)nc2ccccc12 5173434 YAVQOYUHIIKIHY-UHFFFAOYSA-N 397.481 3.677 0 40 GHAB CCc1ccc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)cc1 5347135 NOBVKLMUPPBHOJ-UHFFFAOYSA-N 381.428 3.862 0 40 GHAB CC(=O)c1cccc(OCC(=O)Nc2cccc(I)c2)c1 5443510 CMNWMAHZEVTCJP-UHFFFAOYSA-N 395.196 3.511 0 40 GHAB COc1ccc2c(CC(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cn3)coc2c1 6543149 OAEXAXNIJFGUTR-NSHDSACASA-N 388.807 3.603 0 40 GHAB CCCCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1ccccc1)n2C 6664451 BJUMNKWQEJDPMX-UHFFFAOYSA-N 378.476 3.675 0 40 GHAB Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)c(C)s2)no1 6680177 PUQDMMAGBDAANC-UHFFFAOYSA-N 395.437 3.545 0 40 GHAB CC(C)(C)c1ccc(-c2nnc(SCn3nnc4ccccc4c3=O)o2)cc1 7161068 PXJREOGQTUCSAR-UHFFFAOYSA-N 393.472 3.889 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2cccc[n+]2[O-])c2ccccc2)c1 7507270 WEDYXFDHUQQISR-FQEVSTJZSA-N 378.453 3.995 0 40 GHAB CC(C)Cn1c(CCC(N)=O)nnc1SCc1c(Cl)cccc1Cl 7844662 BHTAEGUTKOPGJF-UHFFFAOYSA-N 387.336 3.951 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1ccc(F)cc1 7939697 XGEJHMDDUDVXCO-UHFFFAOYSA-N 392.814 3.688 0 40 GHAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)N1CCNC1=O 8185774 SICRKEHBSGMPPB-CQSZACIVSA-N 392.484 3.776 0 40 GHAB Cc1c(Cl)cccc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccccc23)C1=O 8215735 ADLGXZQYUVZHKK-GOSISDBHSA-N 381.863 3.594 0 40 GHAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 8247810 XOPLQWLMAHSJFB-LLVKDONJSA-N 379.243 3.994 0 40 GHAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)Nc1nccs1 9576116 SRDMWDVLNNYUIH-UHFFFAOYSA-N 378.409 3.934 0 40 GHAB biogenic CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)c1ccc(C)cc1 9615013 GLWNXRPRBPXXNR-UHFFFAOYSA-N 394.500 3.763 0 40 GHAB CC(=O)c1ccc(O[C@@H](C)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 10444575 FTYNMOZHFHWWRO-KRWDZBQOSA-N 394.471 3.534 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)c(C)c1 10750238 WJVWVHPLYFMJDL-INIZCTEOSA-N 381.476 3.878 0 40 GHAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1cccc(C(F)(F)F)c1 11621882 CELDVNJTKBRGBU-SNVBAGLBSA-N 385.415 3.926 0 40 GHAB CCC[C@H]1c2cccn2CCN1C(=O)c1cc2c(OC)ccc(OC)c2n1C 12148685 MDDSAEKRWMZRLS-KRWDZBQOSA-N 381.476 3.994 0 40 GHAB Cc1nn2c(=O)c(CCC(=O)Nc3ccccc3)c(C)[nH]c2c1-c1ccccc1 12409806 MEAFVDMOGGOEEP-UHFFFAOYSA-N 386.455 3.878 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)OCc3cccnc3)cc2)cc1 12552768 GPXNOELHRZMHHP-UHFFFAOYSA-N 396.468 3.572 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)c1nn(-c2ccc(F)cc2)c2c1CCC2 12616874 ZGGGJNPFADIOKI-UHFFFAOYSA-N 379.391 3.524 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(OCC(F)(F)F)cc1 12903631 HIPWPDRDKYUDKF-UHFFFAOYSA-N 395.377 3.698 0 40 GHAB CN(Cn1nc(N2CCOCC2)n(C2CC2)c1=S)[C@H]1CCCc2ccccc21 12922057 MDNNUXDXJGUNMA-IBGZPJMESA-N 399.564 3.552 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc(F)cc1 12987201 JVAYVEXXVCSDFR-FQEVSTJZSA-N 379.435 3.609 0 40 GHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(NC(N)=O)c2)cs1 16277161 PIRPZVPSMJMGNC-UHFFFAOYSA-N 378.457 3.812 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(F)c2)cc1 18079066 MRTCFONFRWXKHG-UHFFFAOYSA-N 396.459 3.567 0 40 GHAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)C3CCCC3)CC2)C1 19019789 KEFKVDOGNDJBMX-UHFFFAOYSA-N 384.520 3.758 0 40 GHAB Cc1cnccc1-c1c[nH]nc1[C@H]1CCCCN1C(=O)CN1CCCCCC1 19239569 OKECKNZPYXADFB-HXUWFJFHSA-N 381.524 3.710 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H](C)Cn2cc(Cl)cn2)c1 19457314 SMGAZKLTLSZNBX-DYVFJYSZSA-N 377.872 3.554 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2c(C)noc2C)n1 19580058 WZORDOATDYVBCG-GOSISDBHSA-N 377.448 3.819 0 40 GHAB CC(C)C(=O)N1CCC(Cc2cccc(-c3ccncc3)c2)(C(=O)N(C)C)CC1 19700515 YOQYUZRIHOYVBM-UHFFFAOYSA-N 393.531 3.644 0 40 GHAB CN(C)C(=O)c1ccc([C@@H]2CCCN(C(=O)C(C)(C)c3ccc(F)cc3)C2)nc1 19705917 FRSYBFHLUDINOJ-QGZVFWFLSA-N 397.494 3.606 0 40 GHAB Cc1ncc(CN2[C@H](Cc3ccccc3F)C[C@@H]3NC(=O)CCCC[C@H]32)s1 19713908 RJGMBPBHARKAHI-LSTHTHJFSA-N 387.524 3.835 0 40 GHAB Cc1nc2ccc(F)cc2cc1C(=O)NCc1ccc(CN2CCCC2=O)cc1 19718179 GMXUFMWGFHGDPB-UHFFFAOYSA-N 391.446 3.735 0 40 GHAB COc1ccc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)c(OC)c1 19808396 CFMUEAPGGJQHAP-UHFFFAOYSA-N 390.483 3.815 0 40 GHAB COc1ccccc1CN1CNC(=S)N(c2cccc(C(F)(F)F)c2)C1 19874645 LZIGGIMUKQRUPP-UHFFFAOYSA-N 381.423 3.826 0 40 GHAB CCc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(F)cc1 20060469 WAEFXQIYTIOUAF-ROUUACIJSA-N 397.479 3.686 0 40 GHAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 20460046 NRJUIAPLGKQCOC-FQEVSTJZSA-N 388.533 3.990 0 40 GHAB C[C@@H](O)CNCCNCc1ccccc1OCc1ccc(Cl)cc1Cl 22075030 GYZCLJRPAIVFGV-CQSZACIVSA-N 383.319 3.632 0 40 GHAB CSc1nc(-c2ccco2)nc(C)c1C(=O)OCC(=O)c1cc(C)[nH]c1C 22978104 ZWHZKNDIASWFIT-UHFFFAOYSA-N 385.445 3.752 0 40 GHAB CC(=O)Nc1ccc(F)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1 23003523 KWLYGVCDSVZMMQ-UHFFFAOYSA-N 392.814 3.780 0 40 GHAB COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(F)cc2)N2CCCC2)cc1 23486580 MDWCTNVOJNFOQI-HRAATJIYSA-N 386.467 3.555 0 40 GHAB CNc1nc(SCCCCN2C(=O)c3ccccc3C2=O)nc2ccccc12 24599191 NWJXSNFENWNZPF-UHFFFAOYSA-N 392.484 3.840 0 40 GHAB Cc1nc(CSc2ccccc2C(=O)Nc2cccc(-c3nnco3)c2)no1 24739570 FBSQQALOYYEYAT-UHFFFAOYSA-N 393.428 3.973 0 40 GHAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2nnc(C3CC3)s2)c1 24968370 ARHFSEIBVUITLV-UHFFFAOYSA-N 385.518 3.949 0 40 GHAB COCCOc1cc(NC(=O)c2cccc(Nc3ncccn3)c2)ccc1OC 25226160 CNNFUEHZYGBYHL-UHFFFAOYSA-N 394.431 3.506 0 40 GHAB CCc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3c3ccncc3)n2)cc1 27280845 SOYBFPXGGKAKJL-LJQANCHMSA-N 376.460 3.990 0 40 GHAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCCO1 27823087 OBUSMKYGQHWOJX-AWEZNQCLSA-N 375.918 3.675 0 40 GHAB CCn1ncc(Br)c1C(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28237155 XIEGSBOBVWMSOK-ZDUSSCGKSA-N 387.281 3.947 0 40 GHAB Cc1ccc(S(=O)(=O)c2ccc(CSc3nc(C)cc(N)n3)cc2)cc1 32328217 JMQBHXDNVUZANX-UHFFFAOYSA-N 385.514 3.801 0 40 GHAB O=S1(=O)C[C@H]2N=C(SCc3ccccc3)N(c3ccc(Cl)cc3)[C@H]2C1 32640580 VPYAXLIUALVDPY-SJORKVTESA-N 392.933 3.615 0 40 GHAB Cc1ccc(C(=O)CCC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)s1 32744847 JNSVCGPGIHSVCB-UHFFFAOYSA-N 398.528 3.574 0 40 GHAB CC(C)c1cccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2=O)c1 32759275 XRZCXFPBMWAHIK-SFHVURJKSA-N 393.487 3.503 0 40 GHAB CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)ccc2o1 32817720 IMQDYJBKNMONOV-UHFFFAOYSA-N 399.472 3.811 0 40 GHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 32904633 IDVNCOVGXLDLIP-UHFFFAOYSA-N 379.243 3.829 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cccc(-n2nc(C)cc2C)c1 32915518 KSMHFJSLRMFAOL-UHFFFAOYSA-N 377.444 3.882 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)OCO2 32994727 FSYBMDRTRGXTFA-GFCCVEGCSA-N 375.808 3.986 0 40 GHAB CCc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)cc1 36701607 DYFGUPRXBAQEST-VHKYSDTDSA-N 391.475 3.507 0 40 GHAB O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1cc(-c2ccccc2)on1 38678216 SHAWELFIDMZRLN-UHFFFAOYSA-N 387.439 3.889 0 40 GHAB O=C(NCCCN1CCCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1 39755377 POHVVYRKSZIUAX-UHFFFAOYSA-N 395.950 3.683 0 40 GHAB O=C(NCC1(c2ccccc2)CCCCC1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 40092267 JVILMQUAGXPPRJ-HXUWFJFHSA-N 397.563 3.933 0 40 GHAB C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105918 SJEZCLCQSQAIQM-LLVKDONJSA-N 378.321 3.746 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc3c(c2)CCC3)cs1 40129176 SDUNFARBDBVQOM-UHFFFAOYSA-N 381.457 3.967 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)N[C@H](CCc1ccccc1)c1ccccc1 40145891 IIDDMFYYBOFNMS-JOCHJYFZSA-N 397.478 3.887 0 40 GHAB O=C(NCc1cccnc1N1CCOCC1)Nc1ccccc1OC1CCCC1 47600417 ROMFSJBSPWDPEQ-UHFFFAOYSA-N 396.491 3.561 0 40 GHAB CCOC(=O)c1c(NCc2ccc(OC)cc2)c2cccc(Cl)c2[nH]c1=O 49001501 MJBXHYQLYNPMCA-UHFFFAOYSA-N 386.835 3.979 0 40 GHAB Cc1nc(NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)sc1-c1ccccc1 52591261 JRUNXCDFNXEYRW-UHFFFAOYSA-N 380.473 3.935 0 40 GHAB O=C(N[C@H](CC(F)(F)F)c1ccccc1)[C@@H]1CCCN(c2cnccn2)C1 55868415 KMNAUNNQYHGQIQ-HZPDHXFCSA-N 378.398 3.503 0 40 GHAB Cc1ccc(COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)cc1 56949877 AJWLDIOEXQVKDU-UHFFFAOYSA-N 390.483 3.849 0 40 GHAB O=C(O)c1cc(S(=O)(=O)Nc2cc(F)ccc2F)cc(Cl)c1Cl 58488382 HMLHTLDVIDUSKQ-UHFFFAOYSA-N 382.171 3.771 0 40 GHAB CC(C)Cc1nnc(NC(=O)c2cc(O)c(OCc3ccccc3)cn2)s1 61718708 PVQWHDGVYWALLM-UHFFFAOYSA-N 384.461 3.669 0 40 GHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 65565751 YDOVTIWDPUAYEV-XBXARRHUSA-N 375.384 3.958 0 40 GHAB CCCCn1c(SCC(=O)N(C)C2CCCCC2)nc2cc(C)[nH]c2c1=O 67238419 DIKHKSPGWWSZRI-UHFFFAOYSA-N 390.553 3.716 0 40 GHAB Cc1cc2nc(SCC(=O)N[C@H](C)c3ccccc3)n(CC(C)C)c(=O)c2[nH]1 67319721 LTAXTLKMUPBVEX-OAHLLOKOSA-N 398.532 3.659 0 40 GHAB COCc1nnc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)s1 71287816 VFJQJRUPXKTEBH-UHFFFAOYSA-N 380.882 3.643 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCN2C(=O)c2cnn(C)c2C)n1 72384057 QYBRGLJTGFSFRR-KRWDZBQOSA-N 395.438 3.736 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)Cc2cn(C(C)C)c3ccccc23)n1 72403244 FJOHKWLHSHFWHO-UHFFFAOYSA-N 385.489 3.966 0 40 GHAB Cc1ccc([C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)C[C@H]2NC(=O)C2CC2)cc1 77378939 ZNUSGBAJDOFQCV-SIKLNZKXSA-N 387.483 3.611 0 40 GHAB COc1ccccc1-c1nnc(CN(C)[C@H]2CCCN(c3ccccc3)C2)o1 78969234 DOIRDAAUBBXRMG-SFHVURJKSA-N 378.476 3.846 0 40 GHAB O=C(NCc1ccc(OC2CCCCC2)cc1)N1CCC(N2CCCC2=O)CC1 84403099 FBOVSLFDTRTUDS-UHFFFAOYSA-N 399.535 3.695 0 40 GHAB O=S(=O)(c1ccccc1Br)N(CCc1cccs1)C1CC1 90583247 AXKSHNKCWZPGCL-UHFFFAOYSA-N 386.336 3.906 0 40 GHAB Cc1cc(C(=O)N2CC(Oc3nc4c(C(F)(F)F)cccc4s3)C2)no1 90594124 SXDVPBGLYUJMDD-UHFFFAOYSA-N 383.351 3.515 0 40 GHAB Cc1nc(NCCNC(=O)c2cccc3ccccc23)cc(Nc2ccccn2)n1 90607914 HWPCFZVOVOMFPU-UHFFFAOYSA-N 398.470 3.919 0 40 GHAB CC(C)(C)C[C@H](NC(=O)CNC(=O)c1cc2c(s1)CCCC2)C(F)(F)F 95465750 BGIVVJIDRXWMKI-AWEZNQCLSA-N 390.471 3.840 0 40 GHAB COC(=O)c1sc(NC(=O)NC[C@@H](O)c2ccsc2)nc1C1CCCC1 95942338 ZRKIXKDHTHTGGD-GFCCVEGCSA-N 395.506 3.504 0 40 GHAB Cc1cc(N2CCC(N[C@@H](C)c3ccc(Br)o3)CC2)nc(C)n1 97105313 AMJODIFGHKSLAB-LBPRGKRZSA-N 379.302 3.769 0 40 GHAB Cc1cc(O[C@H]2CCN(C(=O)CCc3ccc(Cl)c(Cl)c3)C2)cc(=O)o1 206964881 XSLXUKZSWQPHEY-AWEZNQCLSA-N 396.270 3.868 0 40 GHAB COc1ccc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)c(OC)c1OC 218921335 DSJNLBDVZDKIBN-UHFFFAOYSA-N 393.867 3.678 0 40 GHAB CC(=O)[C@H]1C[C@@H](C(=O)N(C)c2ccccc2I)C1(C)C 222374283 QEUUGDPOMABRGB-NEPJUHHUSA-N 385.245 3.505 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)COc1ccccc1 222560933 HQDYOABWXYBIRR-KNQAVFIVSA-N 396.531 3.830 0 40 GHAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 223915422 LFACWRWFGFJPTI-PMACEKPBSA-N 377.517 3.663 0 40 GHAB C[C@H]1CCCCN1c1ccc(NC(=S)NCc2ccc3c(c2)OCCO3)cn1 224050945 OTQOKAIADUCPRP-HNNXBMFYSA-N 398.532 3.718 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(CC)cc1 224169573 UDODOZGUXBDWCQ-QFIPXVFZSA-N 396.531 3.880 0 40 GHAB O=S(=O)(Cc1c(F)cccc1Cl)NCCOc1ccc(Cl)cc1 224180818 KYERUUPACQTKFQ-UHFFFAOYSA-N 378.252 3.631 0 40 GHAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 224694550 JWSSXPZQHIEIHL-KRWDZBQOSA-N 398.569 3.574 0 40 GHAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1cc2ccccc2s1 225736533 BGAFUTLUMAMODA-UHFFFAOYSA-N 392.528 3.969 0 40 GHAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1cc(-c2ccc(F)cc2)on1 225900563 QVHJDPYRWYYEAS-UHFFFAOYSA-N 393.418 3.898 0 40 GHAB CN(c1ccc(CC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 225980352 HQWUNUCCMJZAAH-UHFFFAOYSA-N 380.469 3.693 0 40 GHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2C[C@H]2C)C1 253590677 DJIXBWOOIWQXMQ-LQNXUBFPSA-N 396.556 3.968 0 40 GHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4ncc[nH]4)CC3)CO[C@H]21 257214550 CMKHIGIBIWHBLN-FXAWDEMLSA-N 397.519 3.949 0 40 GHAB CCc1n[nH]c(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3)c1C 257334078 YEKVTXATLSYJMF-QIQSYULWSA-N 392.547 3.637 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3ccccc3F)C[C@H]2N1Cc1cccs1 306144002 YTBFFWHZPUMJMY-WOJBJXKFSA-N 381.476 3.770 0 40 GHAB CN1C(=O)/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)N(C)C1=S 409030202 DRFILFXODQQQKS-ODLFYWEKSA-N 379.460 3.858 0 40 GHAB C[C@@]1(CNC(=O)NCC2CCN(c3ccncc3)CC2)CCCc2ccccc21 537026683 QBBLMEWJGPCNAD-DEOSSOPVSA-N 392.547 3.891 0 40 GHAB O=C(O)C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1 563585298 MDEKVDKRHDZOPU-HNNXBMFYSA-N 381.432 3.658 0 40 GHAB O=C(NCc1nccnc1-c1cccs1)c1cc(Br)cs1 575619831 GKAVVPARLRWLHY-UHFFFAOYSA-N 380.292 3.959 0 40 GHAB CC(C)Oc1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)c(C(F)(F)F)c1 580159521 DWHXLTWEJZYEFJ-BQGCOEIASA-N 382.382 3.910 0 40 GHAB O=C(CCc1ccccc1)N1CCC[C@]2(CCN2c2ncnc3ccccc23)C1 585101732 CBPMQDDFDGHZGN-DEOSSOPVSA-N 386.499 3.834 0 40 GHAB CCC1(N2CCOCC2)CCN(C(=O)Nc2cccc(C(C)(F)F)c2)CC1 585123664 YEWYULQVIRRMMZ-UHFFFAOYSA-N 381.467 3.907 0 40 GHAB CO[C@]1(CO)CCCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 617794588 HIGOTJFHAHXXDI-HXUWFJFHSA-N 393.405 3.986 0 40 GHAB COc1cc(NC(=O)N2CC(Cc3ccccc3Br)C2)ccn1 626561806 BLHQENURONLFPV-UHFFFAOYSA-N 376.254 3.559 0 40 GHAB C[C@H](c1cn(-c2ccccc2)nn1)N1CCN(Cc2ccccc2)C(C)(C)C1 1167346438 AMIKAJHUEQTFQK-LJQANCHMSA-N 375.520 3.925 0 40 GHAB CCOC(=O)c1cnc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)[nH]1 1532454786 MNLHBYKOJJVIAG-UHFFFAOYSA-N 394.309 3.513 0 40 GHAB O=C(Nc1cccc(F)c1)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549161233 FXLGQZBQDNOURP-UHFFFAOYSA-N 383.423 3.556 0 40 GHAB C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2)n1)n1ccc(C(F)(F)F)n1 1611435428 MCMOMZOUDLPPDI-JTQLQIEISA-N 383.761 3.941 0 40 GHAB Cc1csc(Nc2ccc(NC(=O)c3cc([C@@H]4CCCN4C)[nH]n3)cc2)n1 1632767348 JVGFSZZMUZLZSA-KRWDZBQOSA-N 382.493 3.937 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(C)c2)c1 1343065 AYEZGOXULUJQAH-SFHVURJKSA-N 383.448 3.647 0 40 GHAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(O)c2)nc1 2704662 NNYOVCUVGRANPP-FQEVSTJZSA-N 384.391 3.952 0 40 GHAB NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 3275062 VDUDNMMFUVTPSL-UHFFFAOYSA-N 395.326 3.790 0 40 GHAB CCc1ccccc1Nc1nc(N)nc(CSc2nnc(SC)s2)n1 3552102 APWXCORJRMOYDT-UHFFFAOYSA-N 391.551 3.626 0 40 GHAB O=C(c1ccccc1)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 4060990 HXBUTHZDPIEXQP-HARLFGEKSA-N 379.456 3.924 0 40 GHAB biogenic COCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccco1 4161486 MHCZCXNUHGXZKR-UHFFFAOYSA-N 386.477 3.532 0 40 GHAB COc1ccc(C)cc1-n1ccnc1SCC(=O)NCc1ccc(F)cc1 4248673 SXPATALOQVMZRT-UHFFFAOYSA-N 385.464 3.737 0 40 GHAB O=C1N(c2ccccc2Cl)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 4302676 OZKFEPIREITUCS-JKSUJKDBSA-N 397.283 3.606 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(OCC)cc3)CC2=O)cc1 4703083 HOTXGPBCBYVZAD-MRXNPFEDSA-N 382.460 3.866 0 40 GHAB COc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3)o2)cc1OC 4834927 IVGWGVPQQDKUTH-UHFFFAOYSA-N 385.445 3.875 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)NC(C)(C)C)s2)c1 4851465 XSVRCNSZCOKLOF-UHFFFAOYSA-N 393.538 3.806 0 40 GHAB CN(C)P1(=O)Oc2ccccc2OCCOCCOc2ccccc2O1 4863506 QOLTYRNHQQXROE-UHFFFAOYSA-N 379.349 3.602 0 40 GHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CC1CCCC1 4903412 WXXPEVKRLRDIEN-UHFFFAOYSA-N 376.497 3.839 0 40 GHAB O=c1oc2ccc(Br)cc2cc1S(=O)(=O)c1ccc(F)cc1 4936754 PSNQVVQPFZDGOL-UHFFFAOYSA-N 383.194 3.527 0 40 GHAB CCOC(=O)Cn1nc(-c2ccccc2)c2cnc3cc4c(cc3c21)OCCO4 4969994 GRKLZFKVNSZFGB-UHFFFAOYSA-N 389.411 3.586 0 40 GHAB Cc1ccc(-c2nnn(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 5036377 WRIDYFNMMNOGDH-UHFFFAOYSA-N 395.772 3.959 0 40 GHAB Cc1ccc(C)c(-c2csc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)c1 5266593 ACBWRRQVXONWSC-UHFFFAOYSA-N 390.468 3.845 0 40 GHAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 5298714 BXJJMVUFYBVMLD-UHFFFAOYSA-N 398.937 3.749 0 40 GHAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 6252489 HKGAXHBTPDPOFM-SSGKUCQKSA-N 388.511 3.655 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 6767105 UPWNWVQKOUDXMA-UHFFFAOYSA-N 378.881 3.613 0 40 GHAB Cc1cc(C(=O)COc2ncnc3c2cnn3-c2ccccc2)c(C)n1C1CC1 6933363 LRLSYYBXVDIKTB-UHFFFAOYSA-N 387.443 3.830 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(N2CCCC2=O)cc1 7116627 WXNZNVZETHXMKN-NRFANRHFSA-N 389.455 3.716 0 40 GHAB COc1ccc2cc(CN(C)C(=O)CSc3nnc(C)n3C3CC3)ccc2c1 7533638 IZUDHNREYBXTDE-UHFFFAOYSA-N 396.516 3.834 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1OC 7689139 MLUCEJZCDKZWQF-AWEZNQCLSA-N 375.490 3.622 0 40 GHAB CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 7872062 DJMHIGHNCDNOBG-AWEZNQCLSA-N 392.496 3.744 0 40 GHAB CCOc1c(Br)cc(Br)cc1CNC[C@H]1CCCO1 8253320 JFPLYDKYYMCKGC-GFCCVEGCSA-N 393.119 3.879 0 40 GHAB CCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(F)cc2)c(OC)c1 8339131 BJECTXLQJVZDSU-UHFFFAOYSA-N 388.468 3.973 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 8349374 AJDZTUMPMAQAFN-OAHLLOKOSA-N 384.867 3.828 0 40 GHAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3nc(C)c(C)s3)n2C)c1 8365529 FRSCNFNPXJLYEM-CYBMUJFWSA-N 387.534 3.983 0 40 GHAB O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(Br)cc1 8381741 CACQPXRMKMDIMH-UHFFFAOYSA-N 389.278 3.761 0 40 GHAB Cc1ccc(C2=Nn3c(Cc4ccc(F)cc4)nnc3S[C@H]2CC(=O)O)cc1 8391874 IEHXCRJMJUVNBZ-INIZCTEOSA-N 396.447 3.518 0 40 GHAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1 8415326 ABFDJXAVPGBSRL-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB CC1CCN(c2nnc(SCC(=O)N(C)c3ccccc3)n2C2CC2)CC1 8751933 FEVZRSZQYVFLEK-UHFFFAOYSA-N 385.537 3.604 0 40 GHAB CCC(CC)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 8878896 CXYHQHKBWZYBKK-UHFFFAOYSA-N 387.530 3.844 0 40 GHAB CC(=O)Oc1ccc2c(C)c(CCC(=O)NC3CCCCCC3)c(=O)oc2c1 9134223 OZTOXAKDUKSJPH-UHFFFAOYSA-N 385.460 3.798 0 40 GHAB CC(C)C[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 9156719 FADLDOABXSMNSC-GOSISDBHSA-N 398.894 3.850 0 40 GHAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1ccnn1Cc1ccccn1 9367157 XNUKKFJYRHKQFC-UHFFFAOYSA-N 392.488 3.714 0 40 GHAB CCN1CCOc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1=O 9828111 CBNHKIJBQNRUTL-UHFFFAOYSA-N 378.350 3.812 0 40 GHAB O=C(c1cn[nH]c1-c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 11332214 ROSLBBFBHORBHR-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB O=C(NCC(=O)N1CCC(CCc2ccccc2)CC1)c1cccc(Cl)c1 11453404 DWDJMOVPWTYONK-UHFFFAOYSA-N 384.907 3.941 0 40 GHAB Cc1ccccc1[C@@H](NC(=O)COc1ncnc2ccccc12)c1ccncc1 12148500 YEDURIALKKQMAN-QFIPXVFZSA-N 384.439 3.618 0 40 GHAB O=C(c1nccs1)C1CCN(C(=O)c2ccc(Br)s2)CC1 12157163 FCJPCQUXPJVQSA-UHFFFAOYSA-N 385.308 3.702 0 40 GHAB COc1cccc(-c2nnc(NC(=O)c3c(C(C)C)noc3C)s2)c1OC 12195997 JWQYCGCLIKZPQK-UHFFFAOYSA-N 388.449 3.894 0 40 GHAB CCN(CC)Cc1c(-c2cccs2)n(CC(=O)NC2CC2)c2ncccc12 12222117 UTYQSVPCVBTPRU-UHFFFAOYSA-N 382.533 3.885 0 40 GHAB O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)NCc1ccncc1 12324613 WQIPZWIBBXYRQS-UHFFFAOYSA-N 393.390 3.963 0 40 GHAB CCOc1ccc(CCNC(=O)c2sc3nc(C)ccc3c2N)cc1OCC 12412184 XTBGOADDZLTHAP-UHFFFAOYSA-N 399.516 3.957 0 40 GHAB CN1CCN(c2ccc(NC(=O)CCc3ccc(OC(F)F)cc3)cc2)CC1 12537903 NJUMMFMCDZRUQL-UHFFFAOYSA-N 389.446 3.611 0 40 GHAB Cc1cnc(C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)cn1 12750470 SHGHVEQEEMGFBA-HNNXBMFYSA-N 379.460 3.585 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NC1CCCCC1 12755192 HDWQAPJBJTVOEU-UHFFFAOYSA-N 390.480 3.997 0 40 GHAB COC(=O)CCCCCNC(=O)c1ccc(OCc2ccccc2)c(OC)c1 12756012 JQJFCCUGNUOUHE-UHFFFAOYSA-N 385.460 3.737 0 40 GHAB COc1ccc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 12897921 QBRPROZUUQFHTL-UHFFFAOYSA-N 379.787 3.846 0 40 GHAB CC(C)/N=c1\ccccn1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 12924984 ULUWDHJZVYVMBQ-HIXSDJFHSA-N 383.455 3.733 0 40 GHAB Cc1cc(C)cc(OCCN(C)C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 13013098 DWWZYSURFREBEJ-OAQYLSRUSA-N 396.487 3.572 0 40 GHAB Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 13147450 OFBJGKJMVMTULR-JRPNMDOOSA-N 392.912 3.657 0 40 GHAB COc1ccccc1[C@@H]1CC(=O)c2cnc3[nH]n(-c4ccccc4)c(=O)c3c2C1 14163916 XWGRCJNQOPVJLE-AWEZNQCLSA-N 385.423 3.635 0 40 GHAB CC(=O)c1cc(C(=O)c2cc(F)ccc2O)cn(-c2cccc(C)c2C)c1=O 14165390 KAWUQTXSBFPTAW-UHFFFAOYSA-N 379.387 3.733 0 40 GHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccccc1C(F)(F)F 15402770 FIURAPCDJKWAKF-UHFFFAOYSA-N 384.423 3.518 0 40 GHAB CC(=O)N[C@H](C)c1nc2ccccc2n1CC(=O)Nc1ccc(C(C)C)cc1 15912047 UJTWAFWBSVBMLL-OAHLLOKOSA-N 378.476 3.996 0 40 GHAB CC(CNC(=O)CCNC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 16176881 MGYAICOAIAEUJF-UHFFFAOYSA-N 386.495 3.929 0 40 GHAB Cc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 16750954 GJCUWTNNMLFWHK-UZLBHIALSA-N 393.414 3.965 0 40 GHAB COc1ccc(C(=O)[C@@H](C)n2cc(-c3ccc(OC)cc3)[n+]3c2CCC3)cc1 16956682 FZMIAIKMKFRCTH-MRXNPFEDSA-N 377.464 3.850 0 40 GHAB O=c1c2sccc2nc2n1CCN(Cc1ccccc1C(F)(F)F)CC2 19349432 KTUGQFHYTYPJOQ-UHFFFAOYSA-N 379.407 3.535 0 40 GHAB COc1cccc2c1OC[C@H](C(=O)N1CCC[C@H](COc3ccccc3F)C1)C2 19568273 JUMIOGVRJPCSLW-FUHWJXTLSA-N 399.462 3.703 0 40 GHAB Cc1ccc2oc(=O)c(CCC(=O)Nc3nnc(C4CCCCC4)s3)nc2c1 19659569 HRLNDKCZUHJGLG-UHFFFAOYSA-N 398.488 3.967 0 40 GHAB Cc1cc(C)n(-c2ccc(NCc3cc4c(cc3C)n(C)c(=O)n4C)cc2)n1 19715794 FHENHPYVUNTPAV-UHFFFAOYSA-N 375.476 3.600 0 40 GHAB COc1ccc([C@@H](C)NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1OC 20030032 SLOYVKNSOVXFGN-CQSZACIVSA-N 393.505 3.875 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccc(OC)cc4)cnn32)cc1 20718274 OEVHBHQSTOTBCJ-GOSISDBHSA-N 392.415 3.739 0 40 GHAB COC(=O)c1cccc(NC(=O)c2ccccc2I)c1C 21025923 GEXYTXSLFYYJTC-UHFFFAOYSA-N 395.196 3.639 0 40 GHAB Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 21143479 LPZIGJUFPQKWRX-SFHVURJKSA-N 398.528 3.776 0 40 GHAB CC(=O)c1cc(CCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)oc1C 21527769 SXIDJGOJKBRYFI-UHFFFAOYSA-N 386.429 3.743 0 40 GHAB C[C@H]1CN(Cc2csc(NC(=O)CCCc3cccs3)n2)C[C@H](C)O1 22297174 GMHLTALCQVVERF-KBPBESRZSA-N 379.551 3.775 0 40 GHAB CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2cccc(Cl)c2)CC1 22460197 KFOGXLJGVWEUII-HNAYVOBHSA-N 391.968 3.899 0 40 GHAB Cc1ccc(C)c(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c1 22732516 AASLYCUMASUTQR-INIZCTEOSA-N 392.546 3.937 0 40 GHAB COc1cccc(NC(=O)C[C@@H](C)NC[C@H](c2cccs2)N2CCCC2)c1 22788528 RUFARVKHCUAWTG-VQIMIIECSA-N 387.549 3.901 0 40 GHAB CCN(CC)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2S1)c1cccc(OC)c1 23074402 OMKHLHCXFROAKY-FPOVZHCZSA-N 384.545 3.911 0 40 GHAB COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(F)cc2)N2CCCC2)cc1 23486583 MDWCTNVOJNFOQI-KKSFZXQISA-N 386.467 3.555 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(N2CCCCC2=O)cc1 24190672 KLGRERUYYZVKMK-UHFFFAOYSA-N 388.471 3.661 0 40 GHAB Cc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 24258527 QSMDJWPTMUZTPC-ZDUSSCGKSA-N 384.910 3.502 0 40 GHAB Cc1nc(C)c(-c2nnc(SCC(=O)N3CCc4sccc4C3)o2)s1 25060683 CBBWPPZPBUNHBZ-UHFFFAOYSA-N 392.531 3.548 0 40 GHAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25154028 NKVDNKMWJRLVLH-AWEZNQCLSA-N 399.491 3.794 0 40 GHAB O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 26539237 XAUTUFFUMGLBMP-UHFFFAOYSA-N 393.270 3.680 0 40 GHAB C[C@@H](NC(=O)CNc1cccc(C(=O)N(C)C)c1)c1ccc2ccccc2c1 32754375 VXQUIYXLUXEKAK-MRXNPFEDSA-N 375.472 3.831 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)Nc1cccc(O)c1 36360621 FVKNDCUUTCGGRN-UHFFFAOYSA-N 377.853 3.649 0 40 GHAB O=C(COc1ccccc1/C=C1/SC(=S)N=C1O)NCCc1ccccc1 36617167 OGIAAYOBEAQJDZ-SFQUDFHCSA-N 398.509 3.753 0 40 GHAB O=C(CSc1nc(Cc2ccccc2)n[nH]1)NC12CC3CC(CC(C3)C1)C2 39772544 KYSAKEMQFTWCII-UHFFFAOYSA-N 382.533 3.573 0 40 GHAB O=C(Nc1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccncc1 40074380 YJRWKLANZAUNEF-UHFFFAOYSA-N 386.205 3.942 0 40 GHAB COc1ccccc1NC(=O)C1CCN(CCC(=O)Nc2ccc(F)cc2)CC1 48367575 LJPAVQQQHMSTJC-UHFFFAOYSA-N 399.466 3.514 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)N[C@H]1CCCOc2ccc(F)cc21 54783530 YQNDCDLNEPXGPL-KRWDZBQOSA-N 382.439 3.697 0 40 GHAB Cc1sc2nc([C@@H](C)N3CCN(c4ccccc4F)CC3)[nH]c(=O)c2c1C 57024352 YNUYBBFXKFGWFO-CYBMUJFWSA-N 386.496 3.624 0 40 GHAB C[C@@H](OC(=O)c1cc(Br)ccc1O)c1nc(-c2cccnc2)no1 58633782 MODAZRGKSQUFIZ-SECBINFHSA-N 390.193 3.518 0 40 GHAB CC(C)CN1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72216405 WTXMHDSPRSBBJI-LJQANCHMSA-N 388.556 3.932 0 40 GHAB CCNC(=O)N1CCc2ccc(NC(=O)c3c(C)[nH]c4ccc(OC)cc34)cc21 89977459 YSCSFBFRHFPENZ-UHFFFAOYSA-N 392.459 3.829 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)[C@@H](O)Cc2ccccc2)c1 95431423 XIYJQVFUXOUDOY-ZHRRBRCNSA-N 394.471 3.592 0 40 GHAB Cn1nc(-c2ccccc2)nc1CCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 95453065 DBDNLMVLTJSMMG-MSOLQXFVSA-N 380.879 3.598 0 40 GHAB O=C(COc1ccc(Cl)cc1Br)Nc1cnc2c(c1)COCC2 95464398 ATLSSDLQDZKDMI-UHFFFAOYSA-N 397.656 3.588 0 40 GHAB Cc1nc(C2CCCC2)sc1C(=O)Nc1ccccc1CN1CCNC1=O 95465514 MZGUXJXXBRDNJT-UHFFFAOYSA-N 384.505 3.887 0 40 GHAB CC(C)n1cc(CC(=O)NCCCc2nnc3ccccn23)c2ccccc21 95474256 SMCYMPMPOMOEOB-UHFFFAOYSA-N 375.476 3.556 0 40 GHAB COc1ccccc1CNC(=O)Cn1c(-c2ccccc2Cl)csc1=O 95959068 QGMXXDSTAWCOGV-UHFFFAOYSA-N 388.876 3.555 0 40 GHAB COc1cc([C@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc(OC)c1OC 96221918 JWYSIMPWIDHGCF-CQSZACIVSA-N 396.395 3.568 0 40 GHAB biogenic Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnccn4)o3)CC2)cc1 100156060 YRRFCUHULSLVSR-WOVMCDHWSA-N 377.448 3.539 0 40 GHAB COCCn1/c(=N\C(=O)Cc2ccc(C)cc2C)sc2cc(F)cc(F)c21 101093219 NZNPEXUZSSHBGA-BSYVCWPDSA-N 390.455 3.914 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102023989 MEMQITQFYKCDMQ-USJZOSNVSA-N 399.878 3.663 0 40 GHAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(C)c(OCC(F)F)c1 104384366 XYYPVWUUPYZEFH-SFHVURJKSA-N 388.414 3.551 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 216454649 QKARMDZKZKBMKP-UHFFFAOYSA-N 392.908 3.908 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 223103589 ARLFGZVXYUBWPW-FQEVSTJZSA-N 382.504 3.544 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 223424038 BRAKRZFHDBMXIQ-SFHVURJKSA-N 382.504 3.571 0 40 GHAB Cc1cccc(CS(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 223625674 HOPVHHXRGFODGU-UHFFFAOYSA-N 399.516 3.962 0 40 GHAB CCCC[C@H](CC)CNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223698996 LIWYROSDSSZJEK-KRWDZBQOSA-N 390.549 3.938 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(CC)cc1 224042610 IWSADPUFXLVFEG-SFHVURJKSA-N 396.531 3.744 0 40 GHAB Cc1cc(C(=O)N(C)Cc2ccco2)ccc1NS(=O)(=O)c1ccccc1 224089206 YLKATXPMTXMZNG-UHFFFAOYSA-N 384.457 3.661 0 40 GHAB CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 224585041 KBLLWYDQWZQGLS-HSZRJFAPSA-N 396.531 3.555 0 40 GHAB COc1ccc(CNC(=O)c2ccc(C)cc2I)cc1 225012440 BZKHKLPSZPHNID-UHFFFAOYSA-N 381.213 3.538 0 40 GHAB Cc1cc(C)n(-c2nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3s2)n1 226305523 SRIXLJHQQWQCCF-ZDUSSCGKSA-N 390.534 3.662 0 40 GHAB COc1ccc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc1OC 226310956 LIFWIBVCMMRBFA-UHFFFAOYSA-N 378.841 3.505 0 40 GHAB Cn1ccc2cc([C@H](O)CNC(=O)CCc3ccc(C(F)(F)F)cc3)ccc21 252507921 WXAYMDCZVAIKCK-LJQANCHMSA-N 390.405 3.980 0 40 GHAB O=c1c(=Cc2c(F)cccc2Cl)sc2nc(-c3cccc(Cl)c3)nn12 254300790 MZGLZVPHIPEQFK-UHFFFAOYSA-N 392.242 3.812 0 40 GHAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2onc(C)c2C)CC1 257209187 BPHYEZMIMIXGIY-ZHALLVOQSA-N 398.507 3.926 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)cn1 257342568 ZPGGYDCGFZQVJZ-SFHVURJKSA-N 382.851 3.995 0 40 GHAB COc1ccccc1CN1C[C@@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@H]2C1 306140751 VDDYUMUYIOPAIU-KNQAVFIVSA-N 395.480 3.711 0 40 GHAB CC(C)Oc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408706922 FEGCACBRZHLMBF-MRXNPFEDSA-N 386.879 3.797 0 40 GHAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(Br)cs3)C2=O)c1 409226985 OEFJUTXZPWTDOR-VGOFMYFVSA-N 377.263 3.912 0 40 GHAB CSc1cccc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 409411226 UZEPTWFDKMQHQF-HNNXBMFYSA-N 392.546 3.819 0 40 GHAB CSc1ccccc1S(=O)(=O)N[C@H](C(=O)O)c1ccc2ccccc2c1 560079149 UTBILXBQOCHZHZ-SFHVURJKSA-N 387.482 3.666 0 40 GHAB Cn1c(NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)nc2cc(Cl)c(Cl)cc21 568731497 ZYAHLYWYOYFDRR-MEDUHNTESA-N 391.258 3.991 0 40 GHAB Cc1nc(-c2c[nH]c(C(=O)N3Cc4cnn(-c5ccccc5)c4C3)c2)cs1 574233820 PRSCEZGBCITOGP-UHFFFAOYSA-N 375.457 3.788 0 40 GHAB O=C(NCC1CCN([C@H]2CCOC2)CC1)C1c2ccccc2Oc2ccccc21 575415636 KKRNJCMZJFGJQZ-SFHVURJKSA-N 392.499 3.541 0 40 GHAB COc1ccc(C[C@@H](C)CNC(=O)N2C[C@H](C)C(F)(F)[C@H](C)C2)cc1OC 623823627 CTNFZGRHKKCKSZ-KFWWJZLASA-N 384.467 3.815 0 40 GHAB CCCN(C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[C@H]1CCc2ccccc21 642210973 PDZVXPQAMGIIBX-NRFANRHFSA-N 391.446 3.911 0 40 GHAB O=C1[C@@H]2C[C@H](C3CCCCC3)CN2C(=O)N1[C@@H]1CCO[C@@H](c2cccnc2)C1 642955491 XETCQNIZJQNNQJ-ZGXWSNOMSA-N 383.492 3.535 0 40 GHAB Cc1cc(Cl)c2ccccc2c1NC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 666727130 XRXYUIVEJDXTTB-CHWSQXEVSA-N 380.897 3.889 0 40 GHAB CCC[C@H](CNC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C)OCC 1233698843 JMCOHDOFLGDRJD-QEUVDIPISA-N 375.557 3.885 0 40 GHAB O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)NCCc1ccncc1 1548349219 AECHPQVHHCMLMS-UHFFFAOYSA-N 391.515 3.737 0 40 GHAB CN(Cc1ccccc1)C(=O)CC1(N2Cc3ccccc3C2=O)CCSCC1 1565524983 UHXLHNQTONYGJJ-UHFFFAOYSA-N 394.540 3.957 0 40 GHAB Cc1cc(C)nc(NC(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)c1 721325 CGGANIMMDRLAKS-UHFFFAOYSA-N 381.276 3.954 0 40 GHAB Cc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 907525 BPLYYGZRBJSSNK-UHFFFAOYSA-N 385.514 3.903 0 40 GHAB CCN(CC)C(=O)Cn1cnc2sc(C)c(-c3ccc(Cl)cc3)c2c1=O 937716 GJNIEKXMBBAYSH-UHFFFAOYSA-N 389.908 3.955 0 40 GHAB CCN(CC)C(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1C 1362543 OARBIGSLZLSADF-UHFFFAOYSA-N 381.505 3.598 0 40 GHAB COc1ccc(C2=CC(=O)N(Nc3ncc(C(F)(F)F)cc3Cl)C2=O)cc1 1398103 FKIBIXWKKZZRDG-UHFFFAOYSA-N 397.740 3.542 0 40 GHAB CCCCc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)cc1 1892794 RKEUKFHIAGNHOI-UHFFFAOYSA-N 396.516 3.713 0 40 GHAB CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(OC)cc3OC)NC(=O)CN21 2122506 CAGIDCZCAHBXQS-UWHSVAFCSA-N 392.499 3.903 0 40 GHAB biogenic CCc1cccc(CC)c1NC(=O)COn1nnc2ccc(C(F)(F)F)cc21 2632913 CADAXTBIDSEKLH-UHFFFAOYSA-N 392.381 3.642 0 40 GHAB COc1ccc([C@@]2(O)CN(c3cc(C)ccc3C)C3=[N+]2CCCCC3)cc1OC 2974521 NKUKYCYGXZDDRV-DEOSSOPVSA-N 395.523 3.971 0 40 GHAB O=C(Nc1ccccc1N1CCCCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 3286138 DHEWXJXPZUILIC-IBGZPJMESA-N 377.488 3.664 0 40 GHAB Cc1ccc(-n2nnc(-c3nn4c(Cc5ccccc5)nnc4s3)c2C)cc1 5032545 JQWOUXVZPANVQO-UHFFFAOYSA-N 387.472 3.641 0 40 GHAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1 5045933 GLJMXIZGQJDKGP-UHFFFAOYSA-N 396.516 3.555 0 40 GHAB O=c1c2nnn(-c3ccc(Cl)cc3)c2ncn1Cc1cccc2ccccc12 5056773 XUWFNZNAJCAOPU-UHFFFAOYSA-N 387.830 3.832 0 40 GHAB Cc1ccc(-c2nc(SCC(=O)NC(N)=O)[nH]c2-c2ccc(C)cc2)cc1 5262022 JJTKBTUVRSIRLP-UHFFFAOYSA-N 380.473 3.648 0 40 GHAB O=C(NC1CCCCCC1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5438741 JSCQXANZXKIESR-UHFFFAOYSA-N 384.929 3.723 0 40 GHAB CCOC(=O)c1c(N)oc2c1[C@@H](c1ccccc1)S(=O)(=O)[C@H]2c1ccccc1 5473963 ZAKUOHUGIIVXFF-MOPGFXCFSA-N 397.452 3.646 0 40 GHAB Cc1cc(NC(=O)COC(=O)[C@H](Sc2ccccc2)c2ccccc2)no1 5990142 VYZPIKUBPSAHQD-LJQANCHMSA-N 382.441 3.998 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)[nH]2)cc1 6178387 YSYWZIQOFDQWMU-UHFFFAOYSA-N 396.472 3.768 0 40 GHAB O=C1NC2(CCCCCC2)C(=O)N1Cc1cc(Cl)c2c(c1)OCCCO2 7086443 XFPDZWMBANBHTC-UHFFFAOYSA-N 378.856 3.646 0 40 GHAB Cc1cc(Cl)cc(C)c1OCC(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 7088617 WECSQQKACKEUOY-FQEVSTJZSA-N 387.863 3.899 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 7171380 AJVOEVBUSGALQZ-NSDYXAQKSA-N 396.487 3.510 0 40 GHAB CCc1nnc(S/C(=C\c2c(OCC#N)ccc3ccccc23)C(=O)O)o1 7603404 NXHVPYCSFAATIY-WJDWOHSUSA-N 381.413 3.905 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(c2nc3ccccc3o2)CC1 7990873 ULLYEIBYBYSXCC-SOFGYWHQSA-N 376.412 3.976 0 40 GHAB O=C(c1cccs1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccccc3F)ccc(=O)n1C2 8300285 VSIABTQSOMCJTB-LSDHHAIUSA-N 394.471 3.975 0 40 GHAB biogenic,in-vitro CC[S@](=O)c1ccccc1C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 8405473 JGULDFWUBBDGAI-MUUNZHRXSA-N 395.528 3.889 0 40 GHAB O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCc1cccnc1)c1ccccc1 8979385 ORQSXWYKAADESC-MRXNPFEDSA-N 392.484 3.527 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(C)cc2)cc1 9237351 RDNUTVYOOBCFQJ-QZTJIDSGSA-N 379.489 3.601 0 40 GHAB COc1ccc(CNC(=O)CSc2nnc(-c3ccco3)n2C(C)C)cc1 9593453 SWPUNISROKDQDB-UHFFFAOYSA-N 386.477 3.536 0 40 GHAB Cc1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ccc1Br 10336578 VMUOGBMQYUFCDZ-UHFFFAOYSA-N 397.294 3.690 0 40 GHAB CCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1OCC 10445536 VUKWDXSFYVAWQZ-UHFFFAOYSA-N 396.487 3.975 0 40 GHAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nc2c(F)cc(F)cc2s1 10620802 PTORFQXWEYJUAG-UHFFFAOYSA-N 396.440 3.518 0 40 GHAB COc1ccc(C)cc1NC(=O)CNC(=O)CSc1ccc(Cl)cc1 10671187 OFMCMRBUHFBIKP-UHFFFAOYSA-N 378.881 3.504 0 40 GHAB O=C(OCc1csc(-c2ccccn2)n1)c1cnn(Cc2ccccc2)c1 10800324 XCNFLYIFTXEOLF-UHFFFAOYSA-N 376.441 3.807 0 40 GHAB CCCCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C 11565959 JPZWDFAZOYQKKK-UHFFFAOYSA-N 376.478 3.933 0 40 GHAB COc1ccc2nc(-c3ccc(NC(=O)c4ccc(F)c(F)c4)cc3)cn2n1 11693477 ANQMZOCWILEKGH-UHFFFAOYSA-N 380.354 3.935 0 40 GHAB CC(C)(C)Nc1c([C@H]2CCCN(C(=O)C3CCOCC3)C2)nc2ccccn12 12088135 DNXVPEBWDPKZSE-KRWDZBQOSA-N 384.524 3.677 0 40 GHAB Cc1cc(C)c(-n2cccn2)c(CN(Cc2ccc3c(c2)OCO3)C[C@H](C)O)c1 12185795 HZLRYUSPDVDQOB-SFHVURJKSA-N 393.487 3.601 0 40 GHAB CCCc1noc(CSc2nc3ccccc3c(=O)n2-c2cccc(C)n2)n1 12526930 DJJMBZCZFQYVNL-UHFFFAOYSA-N 393.472 3.717 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12975585 BMWWUZNFYUGLLK-MRXNPFEDSA-N 385.895 3.938 0 40 GHAB COC(=O)c1cc(/C=C/C(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)oc1C 12985534 JQRAAMVHKHEEPG-RQMBKDMJSA-N 399.443 3.769 0 40 GHAB Cc1ccc(S(=O)(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c(C)c1 13021126 BVAGBWUGGKVVKG-UHFFFAOYSA-N 383.517 3.644 0 40 GHAB C[C@H]1CN([C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)C[C@@H](C)O1 13551444 KLADKBTYRMALAX-VDIMJTJOSA-N 391.726 3.622 0 40 GHAB CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713080 HYAHXTDYQRQSBS-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB CC[C@H](C(=O)Nc1ccc(C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714109 DKMIOMPHJBRJTR-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB O=C(CCNS(=O)(=O)c1ccccc1F)Nc1ccc(-c2ccccc2)cc1 14083617 FJUFIJLKZDYBCH-UHFFFAOYSA-N 398.459 3.800 0 40 GHAB CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCc3sccc3C2)cc1 14287816 SZYYZENICLHTES-UHFFFAOYSA-N 399.545 3.524 0 40 GHAB O=C(COc1ccc(Cl)c2ccccc12)NCc1nnc2n1CCCCC2 14485228 HPPPVIYVQVRHTI-UHFFFAOYSA-N 384.867 3.506 0 40 GHAB COc1ccc(-c2cccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)c2)nn1 16960167 JHJJUTUBVSUFAG-UHFFFAOYSA-N 395.484 3.832 0 40 GHAB Cc1csc2nc(CN(C)Cc3ccc(Br)s3)cc(=O)n12 18939688 RGEXWSQWCRJJFE-UHFFFAOYSA-N 384.324 3.520 0 40 GHAB CC(C)c1nccn1CCC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 19454485 NHEOBOHELUNHLY-FQEVSTJZSA-N 391.519 3.835 0 40 GHAB CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)CC)C1 19503538 BJAKQPDSLHDFBD-DEOSSOPVSA-N 393.531 3.836 0 40 GHAB Cn1nc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc1-c1ccc(Cl)cc1 19660458 JEQCQSRSSJGUHZ-SFHVURJKSA-N 385.899 3.782 0 40 GHAB Cc1nc(-c2cncnc2[C@H]2CCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)no1 19693703 BDUKWROOQXUPEG-INIZCTEOSA-N 391.475 3.538 0 40 GHAB Fc1ccc(-c2cccc(CN3CCC[C@@H]3c3nnc4n3CCNC4)c2)cc1 19705542 OGNHITXKIAODMM-HXUWFJFHSA-N 377.467 3.525 0 40 GHAB C[C@H]1CCCc2sc3nc(SCC(=O)c4ccccc4)n(N)c(=O)c3c21 19797054 NSOMSLCQGQTZGB-NSHDSACASA-N 385.514 3.587 0 40 GHAB COc1ccc(-c2noc(-c3ccc(OC[C@@]4(C)CCCNC4)nc3)n2)cc1 20203708 MQVBYRDUWVDFNP-NRFANRHFSA-N 380.448 3.576 0 40 GHAB Cc1cccc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(C)(=O)=O)c1 20482349 GANABOLCSIGNLJ-HXUWFJFHSA-N 388.533 3.665 0 40 GHAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)o1 21467577 XKAQVNVETBNTAK-VQHVLOKHSA-N 383.400 3.825 0 40 GHAB C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc2c(c1)CCCC2 24316138 LWSQOCSPBGYENF-HNNXBMFYSA-N 376.456 3.710 0 40 GHAB CCc1c(C(=O)Nc2ccc(N3CCCC3)nc2)cnn1-c1ccc(F)cc1 24749534 VUIBVBMKNAQRHD-UHFFFAOYSA-N 379.439 3.821 0 40 GHAB CCNC(=O)COc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1 25649596 NRDFKKAJKKUULJ-UHFFFAOYSA-N 378.881 3.829 0 40 GHAB CC(C)(C(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1)c1ccccc1 26896815 FUZAQOYIZCPMMV-UHFFFAOYSA-N 390.527 3.788 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2nc(Cl)ccc2Cl)N2CCCC2)cc1 27392132 QFBICTCOXFOAPP-MRXNPFEDSA-N 394.302 3.964 0 40 GHAB CC(=O)NCCCn1c(-c2ccc(C#N)cc2)cs/c1=N\c1ccccc1 28102035 APZDLNHZVSDTBZ-FLFQWRMESA-N 376.485 3.847 0 40 GHAB CCOCc1ccccc1CNC(=O)N1CCc2cc(OC)c(OC)cc2C1 28347937 KFBSOZZNIDKENJ-UHFFFAOYSA-N 384.476 3.508 0 40 GHAB Nc1ccc(-c2nc(NCCCN3CCOCC3)cc(-c3cccs3)n2)cc1 28359304 ZQMLFIAYPDEONI-UHFFFAOYSA-N 395.532 3.589 0 40 GHAB Cc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C(C)C)cc1)S(C)(=O)=O 29427233 XJEFXSACGGPKMD-KRWDZBQOSA-N 388.533 3.762 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCOc1ccc2ccccc2c1 30446223 JGUUBPMJBSEZOT-LJQANCHMSA-N 384.476 3.734 0 40 GHAB COC(=O)c1ccc(CN(C)C(=O)/C=C/c2ccccc2Br)cc1 30516067 QJORJWOKMXMAAP-VAWYXSNFSA-N 388.261 3.908 0 40 GHAB O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc(Cl)c2c(c1)OCCO2 32582387 IFHZKKMPOFROLJ-UHFFFAOYSA-N 382.199 3.788 0 40 GHAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc(-n2ccnc2)nc1 32685345 CQENNFYVOAPQAA-UHFFFAOYSA-N 389.390 3.524 0 40 GHAB Cc1cc(NC(=O)CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)no1 32779150 LMGSPWGYGOAAAD-UHFFFAOYSA-N 398.366 3.924 0 40 GHAB Cc1ccc2ncc(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)c(=O)n2c1 32818770 SERDORWWRWRBEU-UHFFFAOYSA-N 376.416 3.694 0 40 GHAB C[C@H](Sc1nnnn1C(C)(C)C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 32823851 ICYXRMKQRIZDEA-LBPRGKRZSA-N 389.525 3.776 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCc2ccc3c(c2)OCO3)c1 32847965 WTXYWWVTBULUJR-SFHVURJKSA-N 383.444 3.729 0 40 GHAB CNC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 32903328 FFPQBMURIOLUGT-UHFFFAOYSA-N 383.839 3.838 0 40 GHAB CC(C)OC(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 36855706 KDOIOQBDQBYZHD-LBPRGKRZSA-N 382.917 3.587 0 40 GHAB CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 38751771 CHQYDGIXXPJQTO-DNVCBOLYSA-N 392.496 3.556 0 40 GHAB O=C(CCNC(=O)c1ccsc1)NCc1cccnc1Oc1cccc(F)c1 40094244 YIMODBJQKUFMKK-UHFFFAOYSA-N 399.447 3.511 0 40 GHAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccc(N2CCCC2=O)c(Cl)c1 40108680 POWPTTRGDXVKOF-UHFFFAOYSA-N 394.862 3.834 0 40 GHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 44886323 VRCMOVFZIWTIOJ-SFHVURJKSA-N 379.460 3.589 0 40 GHAB O=C(Nc1cccc(-n2cccn2)c1)N1CCC(CN2CCCCCC2)CC1 48550726 WRTJYZOVQFFPFV-UHFFFAOYSA-N 381.524 3.992 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)ccc12 50179096 VKJPLDMSBFTFRW-SFHVURJKSA-N 393.443 3.710 0 40 GHAB Cc1cc2ncn(C[C@H](O)CSc3ccc4c(c3)OCCCO4)c2cc1C 51181371 ZNIRWTXJYJJKBT-INIZCTEOSA-N 384.501 3.968 0 40 GHAB O=C(c1cc(Br)ccc1F)N(Cc1cccnc1)C[C@H]1CCCO1 55799224 CTDGEIQNCLXTDY-OAHLLOKOSA-N 393.256 3.805 0 40 GHAB CCN1CCN(c2ccc(N[C@@H](C)C(=O)NCc3ccc(C)cc3)c(C)c2)CC1 56170330 SKOWCXZVPIZUQT-FQEVSTJZSA-N 394.563 3.562 0 40 GHAB COCCn1cc(C(=O)Nc2cc(NC(C)=O)ccc2OC)c2ccccc21 57427189 KEWNLZBRNHZYSH-UHFFFAOYSA-N 381.432 3.507 0 40 GHAB CN(C)CCCN(Cc1ccco1)Cc1cc2c(cc1Br)OCO2 57810859 XELGIONTCMBSRR-UHFFFAOYSA-N 395.297 3.725 0 40 GHAB CCN(CC)c1ccc(NC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cn1 58025716 JSSWAWYTQJUUKM-UHFFFAOYSA-N 389.843 3.556 0 40 GHAB O=C1CC[C@@]2(C(=O)Nc3ccc4c(c3)OCO4)Sc3ccc(Cl)cc3N12 58162431 SFTSVKUHAUGMAQ-SFHVURJKSA-N 388.832 3.636 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1 58224826 KOXCQRIUKUOQJU-RBUKOAKNSA-N 379.847 3.687 0 40 GHAB Nc1nc(SCC(=O)N2CCC[C@H]2c2cccs2)nc2sccc12 58391719 UUKNFFHWZPLDTM-NSHDSACASA-N 376.532 3.791 0 40 GHAB Cc1cc(C)c(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 60912618 VLPXBECFBPJJGB-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCO[C@H](c2ccccc2F)C1 67257037 MVCUWHLQHFBBDF-FQEVSTJZSA-N 397.450 3.667 0 40 GHAB COc1cccc(-c2cc3c(N4CCN(C5CCCCC5)CC4)nccn3n2)c1 67284855 XPVIWVIJJDYDQJ-UHFFFAOYSA-N 391.519 3.860 0 40 GHAB CCCc1cc(-c2nc(C)c(C(=O)Nc3ccc(C(N)=O)cc3)s2)ccn1 71279414 IMFINEAPDDBIFW-UHFFFAOYSA-N 380.473 3.817 0 40 GHAB Cc1cc(-c2cncnc2)cc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 72374078 PZKFFZBASSNWTR-UHFFFAOYSA-N 390.462 3.935 0 40 GHAB CCC(=O)N1CCN(CC)C(=O)[C@H](Cc2cccc(-c3ccc(F)cc3)c2)C1 72391019 OCXNIZIYTZQJFS-HXUWFJFHSA-N 382.479 3.752 0 40 GHAB C[C@@H]1CCCCN1C(=O)c1nnn(-c2ccccc2Cl)c1-c1ccccn1 77199897 JFYUIIAHONJANL-CQSZACIVSA-N 381.867 3.997 0 40 GHAB C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)NCC1(c2ccccc2)CCOCC1 79051357 SEESZCNKHUYAAO-NFBKMPQASA-N 392.543 3.729 0 40 GHAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[C@@H](OCc2ccccn2)C1 79110178 NXELGPPUFAUMIG-OAQYLSRUSA-N 398.466 3.852 0 40 GHAB CCOC(=O)CN(Cc1cnc(C)cn1)[C@H](C)c1cccc(Br)c1 95441613 GQACPNWLHFFKNS-CQSZACIVSA-N 392.297 3.674 0 40 GHAB C[C@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 95459407 MVFJUGNVFIJGDN-MRXNPFEDSA-N 397.500 3.916 0 40 GHAB COc1ccc(C(=O)NC[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)c2ccccc12 96002226 JYUVRDNZZKRQEJ-GAJHUEQPSA-N 388.467 3.798 0 40 GHAB Cc1cccc(CNC[C@H]2COCc3nc4cc(C(F)(F)F)ccc4n32)n1 96112697 HHZBWGOLRRDINK-HNNXBMFYSA-N 376.382 3.620 0 40 GHAB biogenic,in-vitro CC(C)Cc1nc2cc(NC(=O)CCCc3nnc4ccccn34)ccc2[nH]1 96117007 NJNVAXVGJPGAGL-UHFFFAOYSA-N 376.464 3.766 0 40 GHAB COc1cccc(CSC[C@@H](O)[C@H](O)CSCc2cccc(OC)c2)c1 96137137 PJSSAKODMSVJKE-WOJBJXKFSA-N 394.558 3.592 0 40 GHAB COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@H]1C(Br)=CC=C3C 96316404 FCXBYZRFHRNZPT-LSBZLQRGSA-N 376.294 3.754 0 40 GHAB biogenic,in-vitro CS(=O)(=O)[C@](Cl)(Br)C(=O)c1ccc(Cl)cc1Cl 96518170 SPXUJQUCGPAKEO-VIFPVBQESA-N 380.474 3.508 0 40 GHAB COc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ccc(C)cn2)c(OC)c1 100728417 VORCYJXEDRDUQI-OALUTQOASA-N 382.504 3.527 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3C[C@H]4[C@H](C3)C4(C)C)CCCC2)c1 101274922 LIPVJKZREWQCCG-IRXDYDNUSA-N 375.534 3.504 0 40 GHAB CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cnn(C)c2)CC1 101727319 PDXIBFNEIYICGG-SVFBPWRDSA-N 396.535 3.549 0 40 GHAB CO[C@H]1O[C@H]2CC[C@@H]3[C@@H]2[C@@H]2[C@H]4[C@H]5[C@H]([C@@H]6CC[C@H]7O[C@H](OC)[C@](C)([C@@H]5[C@@H]67)[C@@H]43)[C@]12C 104294864 HXAAVHKBTACSRV-UMGSUCOZSA-N 386.532 3.546 0 40 GHAB COc1ccccc1NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 113955634 PGSXBFXCASOIJA-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccccc2F)S(C)(=O)=O)c1 113966549 BEGDITFZXHYJEK-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB CC[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 222838552 GGNOUGQLACLCOI-NRFANRHFSA-N 397.496 3.890 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C 223468868 WVZZKNHWXOTPJG-LJQANCHMSA-N 396.531 3.880 0 40 GHAB COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc(SC)cc1 223650513 QTVXKXUABNRDPW-UHFFFAOYSA-N 395.502 3.783 0 40 GHAB CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224904471 USAJSWJOPXZLOZ-UHFFFAOYSA-N 376.478 3.647 0 40 GHAB COc1ccccc1CNC(=O)c1ccc(C)cc1I 225012376 PNOHFCVQFYOTKI-UHFFFAOYSA-N 381.213 3.538 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(Cl)cc3F)n2)cc1 225152749 GUMRZXYYWYXZOB-UHFFFAOYSA-N 389.814 3.739 0 40 GHAB CC[C@H](NC(=S)Nc1cccc(C(=O)OC)c1)c1ccc(OC)c(OC)c1 225720092 FFYZZPAAJMUKQD-INIZCTEOSA-N 388.489 3.928 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 225729587 XOSYTDSOOFBESQ-KBPBESRZSA-N 397.972 3.781 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C 257234811 GVEIOGCTEZBVAI-FCQWJQKHSA-N 396.560 3.991 0 40 GHAB O=C(c1cccc(O)n1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257242112 IBDZAMZQDJEGKC-OAHLLOKOSA-N 381.407 3.525 0 40 GHAB Cc1nc(O)cc([C@H]2CCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257270777 MVPXGJIZJJSWDB-SFHVURJKSA-N 389.455 3.845 0 40 GHAB O=C(Nc1ccccc1Cl)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 390830511 LNHBYDPEJBUOOQ-UHFFFAOYSA-N 399.804 3.939 0 40 GHAB CCOc1ccc(-n2nc3ccc(NC(=S)NC(=O)C(C)(C)C)cc3n2)cc1 408627132 KNJAQXRAOQPKMF-UHFFFAOYSA-N 397.504 3.678 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1NC(=O)CC 408697047 GMRKVOGYQQSBEG-UHFFFAOYSA-N 394.518 3.957 0 40 GHAB CCOc1c(Br)cc(Cl)cc1NC(=O)NCC12CC(CO1)C2 528889325 GSPIMSLNWFSLTH-UHFFFAOYSA-N 389.677 3.802 0 40 GHAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 575615146 BMJPOQLPEFVHIR-UGAXZCSASA-N 375.428 3.560 0 40 GHAB COc1ccccc1COc1cccc(NC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1C 585123611 KSMFJNINFUESRN-DKZVUGQWSA-N 396.487 3.960 0 40 GHAB O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cc(F)c(N2CCOCC2)cc1F 614805371 IPHGZKDUMKSKKM-SJLPKXTDSA-N 386.389 3.956 0 40 GHAB C[C@@](CO)(NC(=O)[C@@H]1CCN(c2ccccc2)C1)c1cccc(C(F)(F)F)c1 616812800 MLOCDGMPWHBRCL-QRWLVFNGSA-N 392.421 3.556 0 40 GHAB FC(F)c1c(-c2nc(-c3ccc(Cl)cc3)no2)nnn1C1CCNCC1 629676747 LZOMMIBDOIVRET-UHFFFAOYSA-N 380.786 3.511 0 40 GHAB COCc1cccc2sc(NC(=O)NC[C@@H]3Cc4ccccc4CO3)nc12 1616043006 NUGWIKMSBCEJTL-INIZCTEOSA-N 383.473 3.706 0 40 GHAB CN(CCO)C(=O)CCc1ccc2c(c1)C[C@](C)(Cc1ccc(Cl)cc1)O2 2037872554 AUVHGNVAAVEKGF-QFIPXVFZSA-N 387.907 3.660 0 40 GHAB O=C(OC1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)C2CC(F)C2)CC1 2056226253 NWYCOVXBSJFQQV-TVPLGVNVSA-N 380.504 3.907 0 40 GHAB CCOc1ccc(-c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)cc1 641693 PIRZIHGWQBDYNK-MRXNPFEDSA-N 380.429 3.764 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)cc(C)c3)C2)cc1 791715 HMFLEVDAPXRGSG-SFHVURJKSA-N 386.517 3.651 0 40 GHAB Cn1c2ccccc2c2nnc(SCC(=O)Nc3ccccc3Cl)nc21 917197 CFMUZWIVQPNWTA-UHFFFAOYSA-N 383.864 3.901 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Sc2nnc3c(n2)[nH]c2ccccc23)cc1 929937 TZTAHPFMFDPIKS-NSHDSACASA-N 379.445 3.634 0 40 GHAB CCC(=O)Nc1cc(NC(=O)CSc2nnc(C(C)C)n2CC)ccc1C 1364194 ACARVLDCUCFYNK-UHFFFAOYSA-N 389.525 3.809 0 40 GHAB CCOc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(C)cc23)ccc1F 1430059 LCQWHJBMDWSTGQ-UHFFFAOYSA-N 390.480 3.844 0 40 GHAB COC(=O)c1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 2054492 CHAHJWGETPXAKA-UUASQNMZSA-N 377.730 3.749 0 40 GHAB C[C@H](OC(=O)c1cccc(N(C)C)c1)C(=O)Nc1cccc(C(F)(F)F)c1 3316211 OEKUWQDORTUADM-LBPRGKRZSA-N 380.366 3.955 0 40 GHAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)NC[C@@H]1CCCO1 3386711 MPVBTZXQUOIVKV-INIZCTEOSA-N 379.485 3.684 0 40 GHAB COc1cccc(OC)c1C(=O)OCCOc1cccc(Br)c1 3394819 DENREKCNTZMBJD-UHFFFAOYSA-N 381.222 3.702 0 40 GHAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCc3cccnc3)c(C)c12 4000455 SQHFVBHPBMONCM-UHFFFAOYSA-N 376.412 3.718 0 40 GHAB biogenic Cc1cc(C)c(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)cc1C 4477733 ZMDUWPMCXFRJCZ-OAQYLSRUSA-N 384.863 3.915 0 40 GHAB O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1I 4714034 BNLRJIBRLZANNH-UVTDQMKNSA-N 375.165 3.636 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3OC)n2C)cc1 4736513 PPDGCVQQOYHRJP-CYBMUJFWSA-N 398.488 3.619 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 5121035 ASKBFNKCMLTGPX-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB in-vivo Cc1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C 6253966 ZBEZNUGDNULSIC-CQSZACIVSA-N 385.851 3.544 0 40 GHAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2cccn2C)c(Br)c1 6543727 YPRSNCOXMZLNFJ-KRWDZBQOSA-N 376.298 3.872 0 40 GHAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(Cl)cc2Cl)C1=O 6653259 KGCSOHNAPMFHFT-SFHVURJKSA-N 377.227 3.643 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1nn(-c2ccc(F)cc2)ccc1=O 6669417 QHYHRZYMLRSXIQ-UHFFFAOYSA-N 378.190 3.931 0 40 GHAB Cn1nc(C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2c1=O 6887253 YJYJDCJDAMHVSM-UHFFFAOYSA-N 397.478 3.886 0 40 GHAB CCOc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1OCC 7064546 YPMNLFZYMDVODP-UHFFFAOYSA-N 398.459 3.628 0 40 GHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc(OC)c1O 7113309 CLLWIYYHIBASEF-INIZCTEOSA-N 382.338 3.538 0 40 GHAB COc1ccccc1OCC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 7670581 OVPIQUSZRYDODP-HNNXBMFYSA-N 398.484 3.896 0 40 GHAB CCN(CC)C(=O)[C@@H](Sc1nnnn1-c1c(C)cccc1C)c1ccccc1 7798798 UBUSJKPSHUHCRQ-IBGZPJMESA-N 395.532 3.981 0 40 GHAB CN(Cc1cccc(Cl)c1)Cc1cc(=O)n2cc(Br)ccc2n1 8119847 NUSOEYUHBOHEEO-UHFFFAOYSA-N 392.684 3.742 0 40 GHAB O=C(Cc1cn2ccsc2n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8279510 ASSYKKABRUHXMI-CYBMUJFWSA-N 382.514 3.954 0 40 GHAB O=C(c1ccc(F)cc1)N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 8869727 QLDHEQKDNMZZMH-HXUWFJFHSA-N 397.471 3.808 0 40 GHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Br)cc2)c1 10112331 UANGNSPDVSOINP-UHFFFAOYSA-N 398.278 3.735 0 40 GHAB CCNC(=O)CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1 10437615 XSGYVCSRGMFAPM-UHFFFAOYSA-N 385.514 3.553 0 40 GHAB CSc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 10763810 CGUXUTFULJQAJT-ZDUSSCGKSA-N 396.559 3.509 0 40 GHAB COc1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1 10970371 BFWKWIMZZBHCLY-UHFFFAOYSA-N 395.484 3.908 0 40 GHAB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(C)c(C)c3)ccc21 11613039 NQUPCKMQMHHCPZ-UHFFFAOYSA-N 393.531 3.763 0 40 GHAB O=C(CNc1cccc(Cl)c1Cl)Nc1ccccc1C(=O)NC1CC1 11622670 PZEIFJUBLTWWKB-UHFFFAOYSA-N 378.259 3.936 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)c3cc(C)n(C)c3C)o2)cc1 11644321 PXTSNSOACBZERT-UHFFFAOYSA-N 380.444 3.964 0 40 GHAB Cc1cc(C)cc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[nH]2)c1 12126007 JIIXLRIAYVNSRD-UHFFFAOYSA-N 391.475 3.826 0 40 GHAB CCc1cc(O)n2nc([C@@H]3CCN(Cc4cc(Cl)c(C)c(C)c4N)C3)cc2n1 12276573 FJJVCUIXNJCGEN-CQSZACIVSA-N 399.926 3.839 0 40 GHAB COc1ccccc1CC(=O)N1CCC[C@]2(CC1)CN(C)Cc1ccccc1O2 12366025 FXKCHDCFKIZKMQ-DEOSSOPVSA-N 394.515 3.513 0 40 GHAB Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cnn1-c1ccccc1F 12545712 IIZRPUFKFHDXGJ-UHFFFAOYSA-N 398.869 3.936 0 40 GHAB CCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 12551976 QIEAKQSBXKQRBG-UHFFFAOYSA-N 387.288 3.934 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)OCc1cn2cc(Cl)ccc2n1 12628077 XXIKBLQJQWNCCF-AUUYWEPGSA-N 399.878 3.876 0 40 GHAB Cc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cs2)cc1 12798020 DEVPBJXLXIGLHC-UHFFFAOYSA-N 383.448 3.968 0 40 GHAB CN(C)[C@@H](CNC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccccc1 12821747 YOKIELRFZQLHND-SFHVURJKSA-N 386.293 3.963 0 40 GHAB Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 12866399 POHBUZVMFNFKOV-UHFFFAOYSA-N 392.425 3.560 0 40 GHAB NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(SC(F)(F)F)cc1 13018573 VJUQJEGNSXIKSL-UHFFFAOYSA-N 382.407 3.816 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 13494917 UZHBHSNCAVNLHM-GFCCVEGCSA-N 377.853 3.738 0 40 GHAB COc1ccc(CN(Cc2cnc(C(C)C)nc2)C[C@@H]2CCCO2)cc1OC 13994243 YQDASFSWMVHXNW-IBGZPJMESA-N 385.508 3.798 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)c(C)c1 16285043 SCFAUQGDFBYBLH-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB CCC(C)(C)NC(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 16379868 MGXPTDYHAZDNJB-QHCPKHFHSA-N 396.531 3.956 0 40 GHAB COc1ccc(Cc2n[nH]c(Nc3cc(Cl)cc(Cl)c3)nc2=O)cc1 16806874 IFCAMLSRQGMXAF-UHFFFAOYSA-N 377.231 3.815 0 40 GHAB Cc1ccc(C(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1C 17052599 CRHLKQCSTADWJZ-UHFFFAOYSA-N 381.863 3.611 0 40 GHAB Cc1[nH]c2ccc(C(=O)OCC(=O)c3ccc4c(c3)OCCCO4)cc2c1C 19054415 FUCRYPINJMXSCR-UHFFFAOYSA-N 379.412 3.986 0 40 GHAB Cc1cc2nccc([C@@H]3CCCN3C(=O)c3cc(-c4ccc(F)cc4)no3)n2n1 19130753 PPFYEPIRAHQHRL-KRWDZBQOSA-N 391.406 3.809 0 40 GHAB C[C@H](Cn1cnc2ccccc21)C(=O)N1CCC(Oc2cccc(F)c2)CC1 19457696 XZIZEPNLQKSPOP-MRXNPFEDSA-N 381.451 3.882 0 40 GHAB C[C@@H]1CCCCN1CCC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 19496363 QEAQZSNSEQIBTP-QGZVFWFLSA-N 380.536 3.788 0 40 GHAB COCc1nn2c(O)cc(COc3ccccc3)nc2c1-c1ccc(OC)cc1 19594224 RJROFKWJFXTQMR-UHFFFAOYSA-N 391.427 3.836 0 40 GHAB Cc1c(CN2CCO[C@H](c3ccc(Cc4ccccc4Cl)cn3)C2)cnn1C 19692993 NJAGBNYWBOJDEC-QFIPXVFZSA-N 396.922 3.941 0 40 GHAB CC(=O)N1CC[C@@H]2[C@H]1CCCCN2Cc1cccc(OCc2ccccn2)c1 19712523 MKFQASKWZOBVLM-DHIUTWEWSA-N 379.504 3.636 0 40 GHAB Cc1nc(CC2CCN(C(=O)CCc3ccccc3)CC2)cc(N2CCCC2)n1 19754014 VXJARINOQGULHX-UHFFFAOYSA-N 392.547 3.799 0 40 GHAB CCc1n[nH]c(SCc2ccc(NC(=O)COc3ccc(C)cc3)cc2)n1 20611444 VKLKAEWYWZDTHP-UHFFFAOYSA-N 382.489 3.985 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)c1O 20861215 VVCJJCJMWSRVQM-UHFFFAOYSA-N 393.395 3.989 0 40 GHAB Cc1ccc(N(Cc2ccco2)C(=O)CCn2c(=O)n(C)c3ccccc32)cc1 21445313 IVGOPHYFRUGYDX-UHFFFAOYSA-N 389.455 3.865 0 40 GHAB C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 22002101 GPUHIZZLXCJWQH-LBPRGKRZSA-N 381.350 3.733 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1ccccc1Cl 22732487 OYCGEFJCIPMTNK-ZDUSSCGKSA-N 398.937 3.974 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(C)cc3Cl)C(=O)[C@@H]2C)cc1 24770881 IONSQGJCGOOJGC-AWEZNQCLSA-N 385.851 3.753 0 40 GHAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)CCc2ccccc2)CC1 24820264 NZMGMPONVPNLKS-SFHVURJKSA-N 390.487 3.575 0 40 GHAB CCc1ccc([C@H](C)NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1 26661536 XWUINEAZBHUWOY-AWEZNQCLSA-N 375.428 3.583 0 40 GHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NCCCn1ccnc1 27061609 RTNZTJHHVPQOED-OUKQBFOZSA-N 397.482 3.956 0 40 GHAB O=C(c1cc(Cl)ccc1O)N1CCN(Cc2c(F)cccc2Cl)CC1 32676211 IZWGCQUSHBRZQC-UHFFFAOYSA-N 383.250 3.796 0 40 GHAB CCCc1ccc([C@H](NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c2cccs2)cc1 32745052 PPJUGAWQKRUPIA-UWJYYQICSA-N 382.529 3.917 0 40 GHAB CC(C)OC(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 36855704 KDOIOQBDQBYZHD-GFCCVEGCSA-N 382.917 3.587 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38946525 VQAXVWBLGWTUNC-RRCSEMEMSA-N 394.902 3.828 0 40 GHAB COc1cccc(CN(C)C(=O)c2sc(NC(=O)C3CC3)cc2C)c1OC 39536818 HKXJJPRDVFKYPT-UHFFFAOYSA-N 388.489 3.694 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(Br)s1 40069462 IFBFHMDJBZAMHD-UHFFFAOYSA-N 393.306 3.563 0 40 GHAB O=C(NCCNc1ccc(C(F)(F)F)cn1)c1cc(F)c(F)cc1Cl 40080724 LNSGQLZZPYTIPB-UHFFFAOYSA-N 379.716 3.874 0 40 GHAB Cc1c(NC(=O)N2CCC[C@@H]2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C 40094873 MXGQSUSPASRGPL-HXUWFJFHSA-N 390.487 3.723 0 40 GHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cc(Cl)ccc2F)c1 44220266 YOTQWYAXECORPJ-UHFFFAOYSA-N 375.831 3.821 0 40 GHAB C[C@H]1CN(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)C[C@H](C)O1 47585070 PRRUNZHSHRJXRC-RYUDHWBXSA-N 378.366 3.745 0 40 GHAB Cc1nc(C)c(CC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c(=O)[nH]1 55506924 KANFSQXQOIKABL-UHFFFAOYSA-N 375.856 3.543 0 40 GHAB COc1ccccc1CN1COc2c(cc3c4c(c(=O)oc3c2C)CCC4)C1 58090608 AFEOIOOLAZSRIE-UHFFFAOYSA-N 377.440 3.951 0 40 GHAB biogenic OCCN1CCC[C@@H](Cn2cnc(-c3ccccc3)c2-c2cccc(O)c2)C1 65371645 ASFUDXOVNXKHAZ-GOSISDBHSA-N 377.488 3.627 0 40 GHAB Cc1cc(C(=O)c2ccccc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 72222610 BJRXJUOJFUPGOY-UHFFFAOYSA-N 381.476 3.678 0 40 GHAB Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)Nc1ccc2[nH]ccc2c1 72405768 ZVZQCVQJBSBSQM-UHFFFAOYSA-N 387.439 3.856 0 40 GHAB O=C(Cn1ccc2c(Br)cccc21)NCc1nc2ccccc2[nH]1 95474811 GJSZOFIJCBVRPN-UHFFFAOYSA-N 383.249 3.597 0 40 GHAB CC(C)c1nc(C(=O)N2CCOc3ccccc3C2)nn1-c1ccccc1F 95961519 GEQWYYRPMQYBNM-UHFFFAOYSA-N 380.423 3.565 0 40 GHAB O=C1C[C@@H](c2coc3ccc(Cl)cc3c2=O)c2c(ccc3nsnc23)O1 96231009 IBWMKLKPTGZJBM-VIFPVBQESA-N 384.800 3.892 0 40 GHAB CN(C)[C@@H]1CCN(C(=O)c2cc(-c3ccn(C4CCCC4)n3)n3ccccc23)C1 96266713 IXIDBWSYQZYVEZ-GOSISDBHSA-N 391.519 3.694 0 40 GHAB Cc1nc(C(=O)Nc2ccccc2Cc2nc(-c3cccnc3)no2)cs1 96356696 XTGWRUKLADUXIP-UHFFFAOYSA-N 377.429 3.740 0 40 GHAB CCC(=O)NC(c1c(C)nn(-c2ccccc2)c1O)(C(F)(F)F)C(F)(F)F 100078714 BSBNBKYBDDISOX-UHFFFAOYSA-N 395.303 3.732 0 40 GHAB Cc1ccc(C(=O)Oc2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1 102617852 RSBMNXGVFRMWSQ-XAMWDVODSA-N 375.424 3.750 0 40 GHAB CCOC(=O)N1CCN(C(=O)/C(=C/c2ccccc2OC)c2ccccc2)CC1 103738954 ZLYZDPWSVVPFMC-LVZFUZTISA-N 394.471 3.537 0 40 GHAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1cc2ccccc2oc1=O 155399031 RBCTYBDNBRYVDN-UHFFFAOYSA-N 392.455 3.910 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=S)Nc2ccc(C)cc2)cc1 198137507 HZOBBKSXSTWKBI-UHFFFAOYSA-N 377.535 3.834 0 40 GHAB COc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C 202009534 LHPFRDAGGDMRMZ-UHFFFAOYSA-N 388.493 3.899 0 40 GHAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 219684078 DRNGPQROUQIVJB-ZDUSSCGKSA-N 378.266 3.932 0 40 GHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1 223753793 SHHMGCDIYNWMTH-VQTJNVASSA-N 378.501 3.914 0 40 GHAB CCOCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1OCC 224698983 AFYNNWUQNCZEHZ-UHFFFAOYSA-N 386.467 3.723 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1Cl 225377376 QEDUJFAALCWUKB-UHFFFAOYSA-N 392.864 3.732 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1 225379915 FLFUHFFFGVUCEP-OAHLLOKOSA-N 390.936 3.737 0 40 GHAB COc1ccc(NC(=S)NCc2cc(OC)c(OC)c(OC)c2)cc1Cl 225573064 IWBQBLVLUIFAQC-UHFFFAOYSA-N 396.896 3.861 0 40 GHAB CCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCCC[C@@H]2C)n1 225885628 FEFFALXMUPMLEY-INIZCTEOSA-N 390.601 3.788 0 40 GHAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1CCC[C@@H](OC)C1 248140419 PLPXYYGEVCSCJQ-HQRMLTQVSA-N 397.519 3.639 0 40 GHAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 253591083 IZGBIQDJIUXIFK-YBOAYWMSSA-N 382.529 3.708 0 40 GHAB O=C(c1cnc2ccccc2c1)N1CCC[C@H](Cc2cc(-c3ncc[nH]3)ncn2)C1 257244029 IJOJHEFNCYBSJH-MRXNPFEDSA-N 398.470 3.510 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3ccccc3F)C[C@@H]2N1Cc1ccccc1 306130989 JUCZTYJIMVSQHR-VXKWHMMOSA-N 375.447 3.709 0 40 GHAB Cc1cnc(C(=O)N2CCC3(CCc4ncc(-c5ccsc5)n4C3)CC2)cn1 306141209 VOLYCBWQFNMISZ-UHFFFAOYSA-N 393.516 3.579 0 40 GHAB Cc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408587449 BXPDMPZFIREIAO-NRFANRHFSA-N 394.496 3.523 0 40 GHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 408702398 FKHGLKFVZIAWOD-KRWDZBQOSA-N 377.824 3.931 0 40 GHAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1O 409244899 KEMVCGXMIKVAQD-CXUHLZMHSA-N 386.835 3.846 0 40 GHAB O=C(NCC12CC(CO1)C2)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 527916032 WOGJXTKJEKEDGZ-KZGIRGLMSA-N 398.425 3.651 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)c2ncccc12)N1CC[C@H](n2cccn2)C1 562289437 ZMTVMPXJAHRHPM-KRWDZBQOSA-N 390.491 3.901 0 40 GHAB CC(C)(NC(=O)N[C@H]1C[C@H](c2ccccc2)C1)c1cn(-c2ccccc2)nn1 570172056 REXRXDRZKFYXIG-IYARVYRRSA-N 375.476 3.748 0 40 GHAB Cc1cc(-c2noc(CN3CC[C@@](CO)(Cc4ccc(F)cc4)C3)n2)ccc1F 585083906 YNLLDFUGSZRZQD-JOCHJYFZSA-N 399.441 3.750 0 40 GHAB O=C(Cc1ccc(F)cn1)N1CC[C@@H](OCC2CC2)[C@H](Cc2ccccc2)C1 585113526 YRASFKYPDAKSDX-DENIHFKCSA-N 382.479 3.650 0 40 GHAB CCC1(N2CCCC2)CCN(C(=O)N[C@@H](C)c2ccc3nc(O)oc3c2)CC1 633508353 WKPBFDJXLWBGNX-HNNXBMFYSA-N 386.496 3.644 0 40 GHAB Cc1noc(-c2ccc(NC(=O)[C@@H]3CCN(c4ccccc4Cl)C3)cn2)n1 653920719 HBMOLMVEXZPELR-CYBMUJFWSA-N 383.839 3.558 0 40 GHAB Cc1ccc(NC(=O)C2(C(=O)O)CC3(CCC3)C2)cc1NC(=O)c1ccncc1 659144901 BHRRTMSFKAXKCU-UHFFFAOYSA-N 393.443 3.616 0 40 GHAB CC1(C)CC(=O)c2cccc(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)c2O1 1131876156 JBWSDZJVSUKVKI-CQSZACIVSA-N 382.391 3.634 0 40 GHAB Cc1c(Cl)cccc1C(=O)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 1614931615 YDZZRKPRROTSIR-NRFANRHFSA-N 383.879 3.703 0 40 GHAB CN(c1ccccn1)C1CCN(C(=O)c2cc(Br)cs2)CC1 1889133987 ILIZJRAHPAEGAN-UHFFFAOYSA-N 380.311 3.647 0 40 GHAB COc1ccc(C(=O)Nc2nn(C)c3nc4c(C)cccc4cc23)cc1OC 2439981 FXSQIIODUIECQJ-UHFFFAOYSA-N 376.416 3.699 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2C)c(C)c1 2720117 WPENOKKTVXGOCS-UHFFFAOYSA-N 392.484 3.762 0 40 GHAB C[C@H]1CCCCN1C(=S)NC(=O)c1cc(Br)ccc1Cl 3258861 FIOOZRZNHJNWSJ-VIFPVBQESA-N 375.719 3.992 0 40 GHAB Cc1c(-c2ccccc2)oc2c(C(=O)OCC(=O)NCC(C)C)cccc2c1=O 3318890 ZTHKBWGNKHDVRY-UHFFFAOYSA-N 393.439 3.697 0 40 GHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)COc2ccc3ccccc3c2)c1 3399166 QGYUHIXUDPQIAD-UHFFFAOYSA-N 376.456 3.933 0 40 GHAB CC(C)C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N1C(=O)c2ccccc2C1=O 3440012 WIJMKVCYDZSSSP-NHCUHLMSSA-N 390.483 3.891 0 40 GHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)/C=C/c1ccc(Cl)cc1 3486750 QVOJCTUXDHGOCJ-RUDMXATFSA-N 382.769 3.868 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)Nc1ccccc1 4164370 DNLJLQOYTJWEQO-UHFFFAOYSA-N 379.420 3.661 0 40 GHAB CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)c1ccnc(Cl)c1 4289410 MVKCJUMQNCOFAA-IMJJTQAJSA-N 377.916 3.671 0 40 GHAB Cc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1-n1cccc1 4518591 SMMRUTSHIVXMKS-UHFFFAOYSA-N 382.276 3.737 0 40 GHAB COc1cccc([C@@H]2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C[C@@H]2O)c1 4984587 TZKUEONYTUSAIP-XTYQPILXSA-N 384.520 3.524 0 40 GHAB CC(=O)Cc1nsc(NC(=O)c2ccc(COc3ccccc3Cl)o2)n1 5032848 DTFXEWOTMYDZDE-UHFFFAOYSA-N 391.836 3.747 0 40 GHAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccccc2F)C1=O 5307066 WVXHIFQUUOGORW-NRFANRHFSA-N 386.398 3.785 0 40 GHAB O=C([C@H]1COc2ccccc2O1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 6787131 KZVFLNAUWVSRGB-KBXCAEBGSA-N 396.468 3.648 0 40 GHAB Cc1cc(C(=O)CSc2nncs2)c(C)n1Cc1ccc2c(c1)OCO2 7194912 DQHSGKDZGAWCEX-UHFFFAOYSA-N 387.486 3.708 0 40 GHAB COc1ccccc1CNC(=O)c1ccccc1OCc1cn2ccccc2n1 7318937 HTHLSQCZTAZKTM-UHFFFAOYSA-N 387.439 3.852 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 7708201 VHJXOFPCUFEADJ-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 8393888 BVTMDOGIEHNDPF-PXNSSMCTSA-N 386.904 3.547 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1C 8414247 RKDIANDLXQXHSH-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)on3)nc2c1 9206539 OVJNFZNUJCFJNS-UHFFFAOYSA-N 380.429 3.843 0 40 GHAB CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccccc3)cc21 9561466 WRGJWXTWSSVJCY-UHFFFAOYSA-N 378.476 3.695 0 40 GHAB Cn1c(SCC(=O)Nc2cc(C(C)(C)C)ccc2O)nnc1-c1ccncc1 10674130 WHRZIPWNOYOORD-UHFFFAOYSA-N 397.504 3.611 0 40 GHAB COc1cc(CNc2cc(=O)n3ccccc3n2)ccc1OCc1ccccc1 10994342 VADDGSBWTOJGDY-UHFFFAOYSA-N 387.439 3.894 0 40 GHAB O=C1NC2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)Nc2ccccc21 12117905 XDQXESVHCROAJQ-UHFFFAOYSA-N 395.890 3.546 0 40 GHAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)CCc3ccc(C)o3)C2)on1 12118458 JNRJCJNWXPUVRA-INIZCTEOSA-N 380.448 3.680 0 40 GHAB CC(C)(C)Nc1c(C2CCN(C(=O)C[C@H]3CCCO3)CC2)nc2ccccn12 12127905 KCNPKOSCJKLKOX-QGZVFWFLSA-N 384.524 3.820 0 40 GHAB CCc1cc(C(F)(F)F)n2nc(C3CCN(C[C@@H]4CCOC4)CC3)cc2n1 12160593 PIXLKHSBZOBUEV-ZDUSSCGKSA-N 382.430 3.526 0 40 GHAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)Cc2ccsc2)C1 12221098 CIJMFPJTEHOCCM-KRWDZBQOSA-N 378.501 3.973 0 40 GHAB COc1cc(-c2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)ccc1O 12408482 IDXPEJFLMVEJDZ-UHFFFAOYSA-N 382.445 3.572 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2ncc3ccccn23)c1 12602493 LLKFKCNNZFFSDC-SFHVURJKSA-N 397.500 3.807 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2ccc(-c3ccccc3)cc2)c1 12742275 YWAWQVAADOKTCN-UHFFFAOYSA-N 396.512 3.594 0 40 GHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)Cc3ccsc3)n2)cc1 12792300 LNBCPYSCLGQQTJ-UHFFFAOYSA-N 385.514 3.731 0 40 GHAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccccc1Sc1ccccc1 13147721 MVWSUKLMSVHKLG-IRXDYDNUSA-N 394.496 3.952 0 40 GHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 13646786 UJFQMTJLWZGPSO-UHFFFAOYSA-N 383.853 3.635 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H](C)NC(=O)Cc1cccc2ccccc12 14240704 FKACBMIFAUQUCC-MRXNPFEDSA-N 376.456 3.924 0 40 GHAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N1CCC(C(=O)Nc2ccccc2)CC1 15550879 VAXQCFDNVFYYIM-SJORKVTESA-N 397.494 3.742 0 40 GHAB CS(=O)(=O)Nc1ccc(-c2csc(COc3ccc(F)cc3)n2)cc1 16941385 KAAPQTGRZMTEHC-UHFFFAOYSA-N 378.450 3.900 0 40 GHAB Cc1ccc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1C 17198162 QRZGZALCGQMOTM-JOCHJYFZSA-N 393.512 3.880 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1cc(=O)c2cc(C)ccc2o1)c1ccc(Cl)cc1 17587577 DXTTZIKGUAHZFD-MRXNPFEDSA-N 399.830 3.789 0 40 GHAB CCCC(=O)N1CC[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 19501039 VZVYLQXHDNHFCG-XMMPIXPASA-N 391.515 3.589 0 40 GHAB Cc1cc(C)n(CCCC(=O)Nc2ccccc2CN2CCCCCC2)c(=O)n1 19572613 WESAUEMNLBITCN-UHFFFAOYSA-N 396.535 3.655 0 40 GHAB Cn1cc(-c2csc(NC(=O)c3cccnc3)n2)c(-c2ccc(F)cc2)n1 19697094 JVIYVMHIEADMOW-UHFFFAOYSA-N 379.420 3.997 0 40 GHAB O=C(c1sc2ccccc2c1Cl)N1CCN(CCc2ccccn2)CC1 19901986 YLOHGTRPXILBQU-UHFFFAOYSA-N 385.920 3.950 0 40 GHAB c1ccc(Cn2nnnc2SCCCc2nc(-c3cccs3)no2)cc1 21733629 BYCSGNOGMGNLNO-UHFFFAOYSA-N 384.490 3.558 0 40 GHAB CCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3ccc(F)cc3)ccc21 22505140 DXEDYCBSCGKGGX-UHFFFAOYSA-N 377.441 3.572 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(C)s2)cc1 24041032 IGWBGOXMZBVLLJ-CQSZACIVSA-N 380.535 3.578 0 40 GHAB CCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1 27662034 RWWUTDSHZVRKCA-HXUWFJFHSA-N 388.895 3.542 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Oc1cccc(C)c1C 30847356 VITDWOYKHRFPPZ-AWEZNQCLSA-N 387.432 3.513 0 40 GHAB COC(=O)c1cc(NC(=O)c2sc(-c3ccccn3)nc2C)c(F)cc1F 31028927 HXQIHYLYOJMSDW-UHFFFAOYSA-N 389.383 3.831 0 40 GHAB COC(=O)c1ccc(NC(=O)N2CCSC[C@@H]2c2ccc(OC)cc2)cc1 32105850 BKKGADICIDEFBT-GOSISDBHSA-N 386.473 3.804 0 40 GHAB O=C(Cc1csc(-c2ccsc2)n1)NCCc1ccc2c(c1)OCCO2 32747491 MCCZIVATRBQNLK-UHFFFAOYSA-N 386.498 3.544 0 40 GHAB S=c1n(CN(C2CCCC2)C2CC2)nc(N2CCOCC2)n1-c1ccccc1 32923207 JHNRFZPQUVTBLR-UHFFFAOYSA-N 399.564 3.604 0 40 GHAB CCOc1ccc([C@@H]2CCCN2CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1 36390333 MGKDPMCXZYEEKX-WVBUVRCRSA-N 385.508 3.680 0 40 GHAB CCn1nc(NC(=O)c2cc(C)nc3onc(-c4cccc(OC)c4)c23)cc1C 36619042 NSNIXYKKCCZZRA-UHFFFAOYSA-N 391.431 3.984 0 40 GHAB CCc1ccc2nc(N3CCN(C(=O)c4cc(C)n(C(C)C)n4)CC3)sc2c1 38508021 VULDJGWMGRGOCR-UHFFFAOYSA-N 397.548 3.907 0 40 GHAB O=C(/C=C/c1ccccc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 40081508 SRGIGACWSLWXOD-ZHACJKMWSA-N 388.389 3.703 0 40 GHAB CNC(=O)c1ccc(CN(Cc2noc(C(C)(C)C)n2)Cc2ccco2)cc1 40105330 XXBMTXLQYZUNKU-UHFFFAOYSA-N 382.464 3.522 0 40 GHAB C[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 40106150 YOODWWGWOWBFKW-ZDUSSCGKSA-N 385.407 3.672 0 40 GHAB C[C@H]1CCCN(CCCCNC(=O)c2cc(C3CC3)nn2-c2ccccc2)C1 40112689 SNBQZTSHNNYSDR-SFHVURJKSA-N 380.536 3.992 0 40 GHAB COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccc(F)cc4)c32)cc1O 40288606 BVLIBTUEAFHHRK-AWEZNQCLSA-N 396.374 3.503 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccccc1 44947599 MAWLHPYNOAZODE-PKOBYXMFSA-N 388.533 3.725 0 40 GHAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 48255550 RHGHXSYTVPDIHB-FQEVSTJZSA-N 394.519 3.986 0 40 GHAB Cc1ccc(-c2nc(CSc3nc4ccc(C)cc4c(=O)n3C)no2)cc1 48344511 CLDJRJIIJMCIJL-UHFFFAOYSA-N 378.457 3.893 0 40 GHAB O=C(CSCC(=O)Nc1cccc(Br)c1)Nc1ccccc1 53757257 KXSOHRPBOPWRDY-UHFFFAOYSA-N 379.279 3.760 0 40 GHAB CC(C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl 57487826 UZWAROBDQKDOND-UHFFFAOYSA-N 393.921 3.717 0 40 GHAB CCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)CC1 58148798 FBNIAFMMQGWURX-UHFFFAOYSA-N 388.515 3.934 0 40 GHAB O=C(Nc1ccc(CC(=O)N2CCSCC2)cc1)c1ccc2cc[nH]c2c1 58202791 PJRNZBGFQMPGJH-UHFFFAOYSA-N 379.485 3.538 0 40 GHAB COCCN(Cc1ccncc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 62018209 MMNXHQOEGKGTFJ-UHFFFAOYSA-N 382.485 3.586 0 40 GHAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)Nc1nc2c(s1)CCCCCC2 65488792 GENPRLDPOVINBM-UHFFFAOYSA-N 399.520 3.739 0 40 GHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)Cc2scnc2C)cs1 66565782 GVNLVIHHXSEMAX-UHFFFAOYSA-N 398.557 3.905 0 40 GHAB CCOc1ccc(-c2cc3c(SCC(=O)N[C@@H](C)CC)nccn3n2)cc1 67290314 WTVIWIXNNXVHSP-AWEZNQCLSA-N 384.505 3.802 0 40 GHAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)c(F)c1 67298747 LDZBFXVNGIUWPM-NOAXNCOGSA-N 396.418 3.727 0 40 GHAB Cc1ccc(Oc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)o2)cc1 72260093 SLANUVLOCHIDDR-UHFFFAOYSA-N 380.400 3.572 0 40 GHAB O=C(C1CCOCC1)N1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 72362892 GMLGQMJHDGWDAH-UHFFFAOYSA-N 385.439 3.541 0 40 GHAB CCc1nn(C)c(C(=O)N2CCC[C@H]2c2ccnc3cc(C(C)(C)C)nn23)c1C 72391723 OEYLIJVFLAZDHA-INIZCTEOSA-N 394.523 3.608 0 40 GHAB COc1cccc(CN2Cc3cc(OC)ccc3O[C@]3(CCCN(C)CC3)C2)c1 72394506 KMBFMFGVRBBFAF-DEOSSOPVSA-N 396.531 3.953 0 40 GHAB CC(C)c1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)n(-c2ccccc2)n1 79192727 WNQHTYTWVLIATJ-GHTZIAJQSA-N 380.536 3.990 0 40 GHAB biogenic Cc1nn(-c2ccc(F)cc2F)c2c1[C@@H](c1cnn(C)c1C)SCC(O)=N2 79484154 PZOGOSKIPIXEJF-QGZVFWFLSA-N 389.431 3.925 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@H](CNCCc2ccccc2Br)C1 89223561 KFQBWPXFMWKRPF-CQSZACIVSA-N 383.330 3.838 0 40 GHAB Cc1nc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)ccc1[C@@H](C)O 95462055 KHTXFKIKMXUODI-MRXNPFEDSA-N 388.533 3.970 0 40 GHAB O=S(=O)(c1ccccc1)N1CC[C@]2(CCCN2Cc2ccc(Cl)cc2)C1 96071034 JBXPNMLTLHXJFN-HXUWFJFHSA-N 390.936 3.769 0 40 GHAB O=C(c1c(F)cccc1F)N1CCC(Oc2ncccc2Br)CC1 96096946 NWFRFJGRBBLCHV-UHFFFAOYSA-N 397.219 3.806 0 40 GHAB O=C(c1cccc2ccccc12)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96099531 BYVUUGTZTAPATA-UHFFFAOYSA-N 383.469 3.652 0 40 GHAB O=C(Nc1cnn(C2CCOCC2)c1)c1ccccc1C(=O)c1ccccc1 96123326 ACSXTENPXHACKI-UHFFFAOYSA-N 375.428 3.718 0 40 GHAB Cc1ccc2nc3c(cc(C(=O)Nc4cccc5ccccc45)n3C)c(=O)n2c1 96347437 GYCHQWJRMPDLKZ-UHFFFAOYSA-N 382.423 3.900 0 40 GHAB COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)cc(OC)c1OC 102659226 RKJYLUJAVFGLOP-QGZVFWFLSA-N 384.436 3.612 0 40 GHAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc2c(ccc3ccccc32)s1 102891685 JXYBWIHMTDGUJU-HUUCEWRRSA-N 393.468 3.563 0 40 GHAB CCCn1nc(C(=O)N2CCC(c3c[nH]c4c(CC)cccc34)CC2)ccc1=O 132547338 PUMOTFJHZCZIBE-UHFFFAOYSA-N 392.503 3.717 0 40 GHAB CCN(CC)CCCNC(=O)CC(C)(C)CC(=O)Nc1ccc(Cl)cc1 199422486 VXFRAZBNBRKWRA-UHFFFAOYSA-N 381.948 3.933 0 40 GHAB CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220637113 SCZGHEOPOJJJCN-QGZVFWFLSA-N 396.896 3.532 0 40 GHAB CC[C@@H](NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1)c1ccc(C)c(C)c1 222464922 YSNMVMFQFPIRDA-LJQANCHMSA-N 388.533 3.889 0 40 GHAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 223492290 RWYJSYMSBQTXEV-QFIPXVFZSA-N 396.531 3.785 0 40 GHAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 223630079 KCMSUKMPCWEEJT-UXHICEINSA-N 379.485 3.697 0 40 GHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1 224112972 VREHAQVQYQDXSM-UHFFFAOYSA-N 386.517 3.883 0 40 GHAB CCOc1ccccc1NC(=O)Nc1cnc(N2CCCCC2)nc1N(C)C 224146077 XUDLIJUVVZLMDV-UHFFFAOYSA-N 384.484 3.576 0 40 GHAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)c1 224674702 SDRIEMPXHDFYJU-SFHVURJKSA-N 384.495 3.927 0 40 GHAB Cn1c(=O)sc2cc(NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)ccc21 225064957 FJPZEUNGJPKSEI-HNNXBMFYSA-N 399.491 3.590 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(OC(C)C)cc3)ccc21 225694355 XMLFNKXSTGBBOC-UHFFFAOYSA-N 392.502 3.671 0 40 GHAB CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1OC 245228285 NIIJJISQEZFEFE-RIWOVQNESA-N 389.492 3.734 0 40 GHAB O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)c1ccc(-c2ccsc2)cc1 253472663 OEGPOXDAWZPTRR-GOSISDBHSA-N 381.453 3.650 0 40 GHAB C[C@H]1C[C@H]1C(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)CC1 257223671 DYKCBWRZISJALL-OXJNMPFZSA-N 394.490 3.785 0 40 GHAB Cc1cc(Cc2ccccc2)cc([C@H]2CN(Cc3cn(C)nc3C)CCO2)n1 257344732 ZYLRGWYVHNNCHZ-HSZRJFAPSA-N 376.504 3.596 0 40 GHAB COc1cccc(CN2Cc3c(nc(C)n3C(C)C)C3(CCN(C)CC3)C2)c1 306136653 PZHZZNDHYHOCLZ-UHFFFAOYSA-N 382.552 3.760 0 40 GHAB Cc1ncsc1CN1CC[C@]2(C1)CN(C(=O)c1ccsc1)c1cccnc12 306143682 YIXWWTMAWZEQFT-FQEVSTJZSA-N 396.541 3.712 0 40 GHAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC)c(Cl)c2)NC(=S)N1 408603154 AYXCIAVYEYUBEY-MRXNPFEDSA-N 382.913 3.875 0 40 GHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1c(C)n(C)c2ccccc12 408812971 CHYDEAOKMMDIDJ-UHFFFAOYSA-N 396.487 3.848 0 40 GHAB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(CC(=O)O)C3=O)cc2)c1 409136502 WYPSOTAAVLRPLS-LICLKQGHSA-N 383.425 3.695 0 40 GHAB COc1ccc2ccc(OC)c(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2c1 409232832 SIVYQIANDCTGRC-DEDYPNTBSA-N 388.423 3.950 0 40 GHAB COc1ccc([C@H](C)NC(=O)N2CCN(C3CCCCC3)CC2)c(C)c1OC 513402886 OGWWVVWIZPYZMK-KRWDZBQOSA-N 389.540 3.733 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NC1CCN(c2cc3c(nn2)CCCC3)CC1 575610004 IZBIVMAOMNULEF-MDZDMXLPSA-N 396.922 3.807 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575613043 NXXDRDTWCYUKNX-MRXNPFEDSA-N 386.814 3.558 0 40 GHAB Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)N1CCC(c2ccncn2)CC1)CC3 583551955 RZBYDXXLCJUDTJ-KRWDZBQOSA-N 389.503 3.713 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)s2)s1 606440709 RTULJPDLTSNWKI-NSHDSACASA-N 385.557 3.858 0 40 GHAB Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)Nc1ccccc1OCc1ccccc1 623091750 QYEZDWRNLHVUHK-UYAOXDASSA-N 392.459 3.651 0 40 GHAB O=C(/C=C/c1cccs1)N1CC[C@H]2OCCC[C@]2(COCc2ccncc2)C1 1565543123 YOKBFSPKOKMFLS-RNGZTFIZSA-N 398.528 3.771 0 40 GHAB O=C(c1ccncc1F)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1775995280 LLQNDLTVXLMRGC-UHFFFAOYSA-N 383.345 3.566 0 40 GHAB C[C@@]1(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2)C3)CC=CCC1 2055795807 BCUGWVZFCDDAOT-JOCHJYFZSA-N 384.495 3.913 0 40 GHAB O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24210284 AWCZIFRKYXQDSL-UHFFFAOYSA-N 391.298 3.886 0 40 GHAB COc1ccccc1NC(=S)NC(=O)COc1cc(C)c(Cl)c(C)c1 678473 UCSYGVZKZVDMAQ-UHFFFAOYSA-N 378.881 3.857 0 40 GHAB O=S(=O)(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(F)cc1 12583588 PNRQOEXCKCQFSZ-UHFFFAOYSA-N 377.466 3.836 0 40 GHAB Cc1ccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)cc1 854178 PSQVJWNBHWTKBW-UHFFFAOYSA-N 383.473 3.887 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccccc1 904370 MUNPDVSHEFWCNU-UHFFFAOYSA-N 395.488 3.654 0 40 GHAB CC(C)NC(=O)Cn1c(C(=O)OC(C)C)cc2c1ccn2-c1ccc(F)cc1 1355133 IPZHYOHVYBMPAM-UHFFFAOYSA-N 385.439 3.661 0 40 GHAB Cc1ccccc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O 24607633 JEDHKSCJUHBEBP-UHFFFAOYSA-N 396.443 3.949 0 40 GHAB Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 55149383 HXLBJTPZTCMPMA-ZWKOTPCHSA-N 378.428 3.853 0 40 GHAB Cc1nc(NC[C@H]2CCCO2)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 1252399 QFMGWTFIFMQAJT-CYBMUJFWSA-N 384.505 3.990 0 40 GHAB CSc1cc(C(=O)CSc2ncn(-c3ccccc3)n2)ccc1NC(C)=O 43243072 PNAMJVMCNDQMPW-UHFFFAOYSA-N 398.513 3.923 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)Cc1nc(-c2ccccc2OC)no1 25357753 ZZBUWWBRXWERBP-UHFFFAOYSA-N 383.448 3.785 0 40 GHAB CC(C)c1nc(NCCc2ccccn2)c2nnn(Cc3ccccc3F)c2n1 4929133 CFSKWUAASBAVHS-UHFFFAOYSA-N 391.454 3.582 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 7309527 LWECJOKIHFKZDJ-OAHLLOKOSA-N 397.855 3.776 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 8264804 PCUISEMVKRZYJQ-GOSISDBHSA-N 394.471 3.862 0 40 GHAB CCN(C(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1)c1nc2ccccc2s1 26908614 AYHHWAVIDJCYTJ-SFHVURJKSA-N 397.500 3.925 0 40 GHAB Cc1nc(-c2ccccc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C2CCC2)n1 8623056 MIMZXLSJMJRUPL-HBMCJLEFSA-N 390.531 3.546 0 40 GHAB biogenic,in-vitro CCc1cc(=O)n(CC(=O)NCc2ccc(Cl)cc2)c(-c2ccc(F)cc2)n1 57508745 BHNIAEISPLISAH-UHFFFAOYSA-N 399.853 3.582 0 40 GHAB O=C(COC(=O)c1cccnc1Cl)Nc1ncc(C(F)(F)F)cc1Cl 3275671 RIJXFLUBMDSLLT-UHFFFAOYSA-N 394.136 3.598 0 40 GHAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc(OC)c1 2210591 SGVXWHUNBRBBNZ-UHFFFAOYSA-N 388.518 3.690 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 20765833 BLWFCJSIYWHXHT-MRXNPFEDSA-N 386.517 3.747 0 40 GHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3cccc(F)c3)N2C1=O 2463462 ISCKENMNYZYBPH-HOCLYGCPSA-N 376.453 3.816 0 40 GHAB CC(C)(C)c1ccc(C(=O)OCCNC(=O)c2c(Cl)nc3ccccn23)cc1 3231149 ZWGJNERVOHMPPI-UHFFFAOYSA-N 399.878 3.872 0 40 GHAB COc1cc(CN(C[C@H]2CCCO2)C(=O)c2cccs2)cc(OC)c1OC 12111427 SMIGLUDCQVZSNQ-OAHLLOKOSA-N 391.489 3.595 0 40 GHAB CN(Cc1cccc(F)c1)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 12769308 OXYBBQSEDQRLTJ-UHFFFAOYSA-N 399.491 3.594 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCCOc2cccc3ccccc23)cc1Cl 59417432 ZLXDKEJWXLQSQW-UHFFFAOYSA-N 382.847 3.935 0 40 GHAB CC(C)n1nc(C(=O)OCC(=O)c2cccc(Cl)c2)c2ccccc2c1=O 3373630 JKDIEDLZBSEPBI-UHFFFAOYSA-N 384.819 3.671 0 40 GHAB C[C@H]1CCc2c(sc3nc(COC(=O)c4c(F)cccc4F)[nH]c(=O)c23)C1 3302580 ARGSTVLZIYIHAL-VIFPVBQESA-N 390.411 3.745 0 40 GHAB CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F 3323126 WPQUAOMZQSCRLF-UHFFFAOYSA-N 399.800 3.868 0 40 GHAB CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)s1 48344328 MUXGHTYIJMXXGX-GFCCVEGCSA-N 399.303 3.651 0 40 GHAB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(N2CCOCC2)cc1 3469428 QREIEDOMLOQYRN-UHFFFAOYSA-N 381.259 3.848 0 40 GHAB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc2c(c1)OCO2 3474881 BXACXUUABJGDJN-VIFPVBQESA-N 375.431 3.646 0 40 GHAB C[C@@H]1Cc2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2N1S(C)(=O)=O 10324188 OERGJZZRHUDENW-SNVBAGLBSA-N 399.299 3.956 0 40 GHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(Br)cc2)c1 3555377 TVPLXDSPGYVKMR-UHFFFAOYSA-N 375.266 3.777 0 40 GHAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cn2ccccc2n1 12954013 QWPFGNPEAVOWCU-UHFFFAOYSA-N 385.449 3.870 0 40 GHAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)OCc1c(F)cccc1Cl 12914227 WQEDYQORTRNPKB-LJQANCHMSA-N 377.843 3.906 0 40 GHAB CC(C)c1nnc(NC(=O)CCC(=O)Nc2cccc(Br)c2)s1 9356791 ATKYVLQIJYBGGP-UHFFFAOYSA-N 397.298 3.781 0 40 GHAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccccc4OC)c3)nn12 4556471 FHXBVKYWFXUCGX-UHFFFAOYSA-N 393.472 3.985 0 40 GHAB CC(C)n1ncc2cc(NC(=O)CCc3nc(-c4ccsc4)no3)cnc21 14241454 LMVDVJOAWIMHEB-UHFFFAOYSA-N 382.449 3.695 0 40 GHAB C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccc(Cl)c(Cl)c1 14424860 ZDXPNDIKJGXDMR-SECBINFHSA-N 382.272 3.642 0 40 GHAB O=C(OCC(=O)c1cccs1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 5570193 BIFWIBDZVCFJMA-UHFFFAOYSA-N 397.452 3.717 0 40 GHAB Cc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 6886988 GJBBCDCNCOGVSP-UHFFFAOYSA-N 390.480 3.951 0 40 GHAB COc1ccc(OCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 6968568 QIMMCNDPMGGTTB-UHFFFAOYSA-N 398.440 3.607 0 40 GHAB O=C([C@H](Sc1nccn1-c1cccc(F)c1)c1ccccc1)N1CCOCC1 6934375 SHTQDPOPVUFYET-LJQANCHMSA-N 397.475 3.704 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)Oc1ccc2c(c1)OCO2 6946528 SWLNVHILSOUPGS-CSKARUKUSA-N 380.375 3.976 0 40 GHAB Cc1sc2ncnc(N[C@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)c2c1C 9534023 DYMARAKOTIYREI-GFCCVEGCSA-N 398.488 3.909 0 40 GHAB Cc1ccc(-c2noc(CN3CCC(C(=O)N4CCCCCC4)CC3)n2)cc1 9585425 XRTJDJOULHWYRK-UHFFFAOYSA-N 382.508 3.660 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 15619254 XWAQNQIQFYYQPN-CYBMUJFWSA-N 397.500 3.854 0 40 GHAB CCSc1nnc(SCc2nc(N)nc(Nc3ccccc3C)n2)s1 9509521 YVECPGBTJCHRQU-UHFFFAOYSA-N 391.551 3.762 0 40 GHAB O=C1c2ccccc2N[C@H](c2cc(Br)c3c(c2)OCO3)N1C1CC1 7886154 HXMMUXNDZNEIGP-KRWDZBQOSA-N 387.233 3.907 0 40 GHAB CCOC(=O)[C@@H](NC(=O)c1ccc(F)cc1)c1c(C)nn(-c2ccccc2)c1C 8062354 YXOGTJYQSDVQPA-FQEVSTJZSA-N 395.434 3.662 0 40 GHAB CN(C)CCCNC(=O)c1ccccc1Oc1cccc(Br)c1 71970632 DLYPDKCYEICYMT-UHFFFAOYSA-N 377.282 3.923 0 40 GHAB CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](C)c1ccccc1 8395255 XRMSNNVMGICAJO-GFCCVEGCSA-N 376.250 3.908 0 40 GHAB CC(C)N(CC(N)=O)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 70690339 XKZNIYMXUWLNND-UHFFFAOYSA-N 387.892 3.953 0 40 GHAB CCN1CCC[C@H]1CNC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O 8764874 BKJHJRTVDZQRLQ-INIZCTEOSA-N 396.487 3.607 0 40 GHAB biogenic CCn1cc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)c2cc(OC)ccc21 22236070 MSFGKOXZFYOVSP-FQEVSTJZSA-N 376.456 3.837 0 40 GHAB CCn1cc(C(=O)Nc2c(Br)cc(F)cc2Br)cn1 28235804 OYPFJVWRILYGNA-UHFFFAOYSA-N 391.038 3.819 0 40 GHAB Cc1ccc(-c2ccc3c([C@H]4CN(Cc5cccc(C)n5)CCO4)nnn3c2)cc1 306128502 HCJRLXOMINORPK-HSZRJFAPSA-N 399.498 3.982 0 40 GHAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1 22929532 UGKUHBUHVTWWFU-CVEARBPZSA-N 391.968 3.785 0 40 GHAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1C 409260382 PPHRLRJWQXTOOL-UHFFFAOYSA-N 388.533 3.952 0 40 GHAB O=C(O)c1c[nH]c2cc3c(cc2c1=Nc1cccc(C(F)(F)F)c1)OCO3 31771939 GWQWFUKRFFKORJ-UHFFFAOYSA-N 376.290 3.846 0 40 GHAB NC(=O)c1cccc(CS[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 502827700 OYRCMUFEWCDVGN-IBGZPJMESA-N 395.459 3.933 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1cccc(OCC(C)C)c1)CC(O)=N2 31818851 HMNWWLQYIMCECO-INIZCTEOSA-N 393.447 3.835 0 40 GHAB O=C1NCCN(C(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)[C@H]1c1ccccc1Cl 529017745 MAYAQEWEWMRKRZ-MDZRGWNJSA-N 386.854 3.672 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 30751200 CHQYDGIXXPJQTO-KXBFYZLASA-N 392.496 3.556 0 40 GHAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc2c(c1)OCCO2 219459476 UMDXPXRYTXSLQB-UHFFFAOYSA-N 388.423 3.990 0 40 GHAB O=C(O)c1conc1[C@H](O[C@H]1CCCCO1)c1ccc(Br)cc1 504256862 OTYKYJQADOFJHL-DZGCQCFKSA-N 382.210 3.768 0 40 GHAB O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1 38835998 JQSNBBMNUKYISB-HXUWFJFHSA-N 397.950 3.901 0 40 GHAB Cc1cc(S(=O)(=O)NCc2ccccn2)c(C(C)C)cc1Br 32602048 XHOGCTUHWOHBGB-UHFFFAOYSA-N 383.311 3.754 0 40 GHAB COc1cccc(CN(C(=O)CCc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)c1 225659643 XRFXXHQXWQLTOM-LJQANCHMSA-N 396.531 3.878 0 40 GHAB O=S(=O)(c1cccc2cnccc12)N1CC2(CCOCC2)[C@H]1c1ccccc1 570693188 TZODUWMJTYIXRF-OAQYLSRUSA-N 394.496 3.777 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)c2)c1 224133209 CLACVVFDWUOLGN-CBGDNZLLSA-N 398.528 3.739 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 225715749 SEEYVMZIAPRANC-NRFANRHFSA-N 382.504 3.570 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2cccc(C)c2)c(Cl)c1Cl 223852273 IWFLPOSMDNPZRQ-UHFFFAOYSA-N 390.288 3.668 0 40 GHAB CCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cccc(Cl)c3)n2)cc1 41253982 PFQWSWPHVZGOJW-UHFFFAOYSA-N 395.890 3.833 0 40 GHAB Cc1ccccc1[C@@H]1C[C@@H](C)N([C@@H](C)C(=O)NCc2ccc(C(=O)O)cc2)C1 574762986 CYBHMDUFPSMAOR-FUHIMQAGSA-N 380.488 3.576 0 40 GHAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222665852 SOXZMSGJIXJXDG-KRWDZBQOSA-N 382.504 3.570 0 40 GHAB Cc1cc(CNC(=O)Nc2cc3c(cc2Br)OCCO3)ccc1F 43455933 WJFUWUCXQVKQCV-UHFFFAOYSA-N 395.228 3.990 0 40 GHAB CC1(C)[C@H]2CC=C(COC[C@H](O)CN3CCO[C@H](c4ccc(F)cc4)C3)[C@@H]1C2 48234774 HCTQBABQZRDQQK-FKVLARQCSA-N 389.511 3.569 0 40 GHAB O=C(Cc1noc2ccc(F)cc12)N1CC2(CCOCC2)[C@@H]1c1ccccc1 577723436 BHJGFUWFFKRCHE-NRFANRHFSA-N 380.419 3.890 0 40 GHAB COc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)cc1OC 199431268 SEUBFBFHERQGFD-NRFANRHFSA-N 394.515 3.643 0 40 GHAB O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC(N2CC[C@H](O)C2)CC1 96099696 RVTYIHRYWONUQA-NRFANRHFSA-N 384.907 3.678 0 40 GHAB Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1nc(C2CCOCC2)cs1 581237483 WYGUKZNQEAJGGW-UHFFFAOYSA-N 386.452 3.923 0 40 GHAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccn2C)C12CCCC2 96344062 LTJGLFBMNRVGDI-NRFANRHFSA-N 393.531 3.994 0 40 GHAB CN1C(=O)c2cc(NC(=O)[C@H]3CCOC(C)(C)C3)ccc2Sc2ncccc21 96223243 WDLDQEXPFTWHSR-ZDUSSCGKSA-N 397.500 3.967 0 40 GHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCCSC[C@@H]1CN1CCCC1 90609022 HERLERHFFGAJKA-HNNXBMFYSA-N 388.455 3.629 0 40 GHAB O=C(CN1CCCc2occc2C1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 585083924 FYEMANBNQALFKL-UHFFFAOYSA-N 378.354 3.562 0 40 GHAB CCOC[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242701917 WSBPFZSUIWBSBP-XUVXKRRUSA-N 393.936 3.570 0 40 GHAB Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)c3c(F)cccc3F)CCO2)n1 257220528 DLCWNVIPIJWEAD-SFHVURJKSA-N 399.397 3.845 0 40 GHAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3ccc(F)cc3)CCO2)n1 257306922 SWOSGKUANMQRHM-HXUWFJFHSA-N 395.434 3.960 0 40 GHAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)[C@H](C)c3ccccc3)n(C)n2)CC1 257343131 ZRPGULSCSIITAH-QWFCFKBJSA-N 382.552 3.675 0 40 GHAB Cc1cc(C)n(-c2nc(CCNC(=O)c3ccc4ncsc4c3)cs2)n1 90609298 ZRGJMUDFQBPSHF-UHFFFAOYSA-N 383.502 3.528 0 40 GHAB CCOCc1cccc(S(=O)(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2)c1 1213595607 MXMPSQJSBYZESG-GFCCVEGCSA-N 388.411 3.676 0 40 GHAB Cc1cnc(Nc2cccc(CC3CCN(C(=O)[C@]4(C)CCCN4)CC3)n2)s1 585263271 AEGJWMONHMZOIY-NRFANRHFSA-N 399.564 3.513 0 40 GHAB CC(=O)N1CCC[C@H](NCc2ccc(F)cc2F)[C@@H]1Cc1ccc(F)cc1 585286176 OPTLMUYLHFNLKU-SFTDATJTSA-N 376.422 3.816 0 40 GHAB CN1CCN(c2ncnc3cc(-c4ccc(Br)cc4)sc23)CC1 32806195 CDSBBSFPNKFFHT-UHFFFAOYSA-N 389.322 3.873 0 40 GHAB COc1ccc(-c2csc(C3=C(O)CN(Cc4cccn4C)C3=N)n2)cc1 1547212328 DKTQYIBSWFTKOF-UHFFFAOYSA-N 380.473 3.919 0 40 GHAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775965748 FFEPFEYBIYWYBG-UHFFFAOYSA-N 391.393 3.617 0 40 GHAB CCOC(=O)c1ccc(-c2ccc(/C=C(\Sc3nc(C)n[nH]3)C(=O)O)o2)cc1 5644744 PNAALEOENQUHLP-YBEGLDIGSA-N 399.428 3.768 0 40 GHAB O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 12089236 FRVOJLFGVAITKY-OALUTQOASA-N 384.549 3.798 0 40 GHAB CC(C)n1nccc1C(=O)Nc1ncc(-c2ccc(Br)cc2)n1C 12116827 NYQVEKNEDIYONK-UHFFFAOYSA-N 388.269 3.879 0 40 GHAB c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 16480912 FCTUWPXBMWNCFN-UHFFFAOYSA-N 381.483 3.942 0 40 GHAB CCCc1nn(CC(=O)Nc2ccc(OCC)cc2)c(=S)n1-n1cccc1 16806999 DTDSBBZOHAZRTK-UHFFFAOYSA-N 385.493 3.517 0 40 GHAB CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN(C)Cc2ccccc2)C1 19016947 YOCUUXZJXPRZLY-IBGZPJMESA-N 376.504 3.921 0 40 GHAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ncc(Cc2ccccc2)s1 19080753 AHQKLIPHWHFTDD-ZDUSSCGKSA-N 382.441 3.869 0 40 GHAB COc1ccc2[nH]cc(C(=O)NCC3(c4ccc(C)cc4)CCOCC3)c2c1 19208711 RQVKSSCYGJPWDS-UHFFFAOYSA-N 378.472 3.963 0 40 GHAB Cc1ccn(C[C@H](C)C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)n1 19238003 RGCTZDGGAQRDOD-IITNATTFSA-N 394.563 3.697 0 40 GHAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccccc2)C1 19701952 HQDXEIPXDVCJRC-KRWDZBQOSA-N 395.528 3.662 0 40 GHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3ccccn3)cc2N1 12471630 RYVGIINMGRRXLU-DAXOMENPSA-N 393.413 3.953 0 40 GHAB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1Br 1889274362 MVPKNNJPJHSBNI-UZYVYHOESA-N 385.217 3.704 0 40 GHAB COC(=O)c1cccc(CS[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)c1 25689447 UPBOKBCCJSOYMV-CYBMUJFWSA-N 389.473 3.751 0 40 GHAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(I)cc1 13391065 OFQIJCKVJJDZJV-UHFFFAOYSA-N 381.169 3.550 0 40 GHAB COc1ccc(-n2ccnc2SCC(=O)Nc2cc(OC)ccc2OC)cc1 2723190 RRZDDBWSKDQMKK-UHFFFAOYSA-N 399.472 3.629 0 40 GHAB O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4C(c5ccccc5Cl)=NO[C@H]34)[C@H]2C(=O)N1c1ccccc1 4744599 SQDUIBLQVHZPAX-KLRHJPAYSA-N 392.842 3.515 0 40 GHAB CN(C)[C@H](CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccsc1 8896829 LVWBDYOSUPEQHF-HXUWFJFHSA-N 386.542 3.996 0 40 GHAB Cc1nc2cc(NC(=O)CCCS(=O)(=O)Cc3ccccc3)ccc2s1 10686866 GVXNWEPCAYYRBH-UHFFFAOYSA-N 388.514 3.938 0 40 GHAB Cc1ccc(Cl)c2sc(N(C[C@@H]3CCCO3)C(=O)c3ccn(C)n3)nc12 11695566 UJICINARLICULK-LBPRGKRZSA-N 390.896 3.817 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CCCSc1ccc(NC(C)=O)nn1 11793440 UJMSORGKTPLCMK-UHFFFAOYSA-N 394.884 3.608 0 40 GHAB Cc1nc(SCC(=O)Nc2nnc(SCc3ccccc3)s2)[nH]c1C 15085654 FQHADVQSKSCVIE-UHFFFAOYSA-N 391.547 3.901 0 40 GHAB O=S(=O)(NCCOc1cccc(C(F)(F)F)c1)c1ccc(F)c(Cl)c1 23143589 OUVZPXDTJFIPGZ-UHFFFAOYSA-N 397.777 3.855 0 40 GHAB CO[C@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1Cl 206852858 BXVQDPOPQQDOAF-OAHLLOKOSA-N 378.252 3.799 0 40 GHAB CSc1ccccc1NC(=O)C(=O)NC[C@H](c1cc2ccccc2o1)N(C)C 575621532 PGULXIQNZQEFQW-MRXNPFEDSA-N 397.500 3.512 0 40 GHAB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3nc4ccccc4o3)CC2)cn1 2298086080 VFYVNQAEHRRKDU-UHFFFAOYSA-N 379.464 3.534 0 40 GHAB O=C(NCc1cccc(Cl)c1)C1CCN(C(=O)CCc2ccccc2)CC1 32827163 UOJICDJYMQSAEW-UHFFFAOYSA-N 384.907 3.828 0 40 GHAB CCCCN(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 40007584 ZGBONQTVRKYUKD-UHFFFAOYSA-N 381.314 3.560 0 40 GHAB CC[C@@H](C)[C@H](CO)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 30819207 LJWDERSGUITJBL-KUHUBIRLSA-N 379.456 3.905 0 40 GHAB COc1ccc(-n2cnc3cc(C(=O)Nc4cccc(F)c4)ccc3c2=O)cc1 32092814 ZJVIHEWZYZIDKU-UHFFFAOYSA-N 389.386 3.786 0 40 GHAB O=S(=O)(c1ccc(F)cc1Cl)N(Cc1cccs1)C[C@H]1CCCO1 32759173 UJHGBHGZOKVHPO-CYBMUJFWSA-N 389.901 3.911 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 32772850 JBSZAKFTQLIUBL-AWEZNQCLSA-N 375.428 3.752 0 40 GHAB CCOC(=O)N1CCC(NC(=O)CCSc2nc3ccccc3s2)CC1 32781049 NJKYRWPPWTYFIT-UHFFFAOYSA-N 393.534 3.516 0 40 GHAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(C)cc2)cc1 41157126 KPMSSDVZXYXWKK-JOCHJYFZSA-N 388.467 3.983 0 40 GHAB CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)cc1 33047782 XPHINRULOZDFRF-INIZCTEOSA-N 388.533 3.561 0 40 GHAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(OC)c(OC)c3)c(=O)oc2c1 778542 HKRAWNLHEARDMH-UHFFFAOYSA-N 396.443 3.909 0 40 GHAB biogenic COc1ccc(C2=NN(C(=O)c3ccc(C)cc3)[C@@](O)(C(F)(F)F)C2)cc1 910694 DVWLCAOPPMSJQQ-SFHVURJKSA-N 378.350 3.505 0 40 GHAB COc1ccc(NC(=O)CSc2nnc(C)n2CCc2ccccc2)cc1 923685 CACXMBCOMOGWMK-UHFFFAOYSA-N 382.489 3.569 0 40 GHAB Cc1ccc(-n2ncc3c(SCC(=O)N4CCCCCC4)ncnc32)cc1C 1346419 MGYHLALKQLSDLU-UHFFFAOYSA-N 395.532 3.927 0 40 GHAB COc1cc(N[C@@H]2CCCN(C(=O)Nc3ccccc3OC)C2)cc(OC)c1 79111419 LIRFCAZQJXBTTO-OAHLLOKOSA-N 385.464 3.821 0 40 GHAB COc1cccc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)c1 6483952 BDYGXBHZVFIJOH-KRWDZBQOSA-N 394.456 3.777 0 40 GHAB COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1C 6913472 DLKJYTNAPYKOGB-GFCCVEGCSA-N 386.452 3.749 0 40 GHAB O=C1NC(=O)C(=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1 7099556 FJNSAWVTCTXSMO-UHFFFAOYSA-N 395.418 3.592 0 40 GHAB COc1ccccc1-c1cc(COC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)on1 26286383 WYHHXGFPIYNMNH-ZUOKHONESA-N 381.384 3.622 0 40 GHAB CCOC(=O)NC(NCc1ccccc1Cl)(C(F)(F)F)C(F)(F)F 35587935 OVWCJZVVKOEZIJ-UHFFFAOYSA-N 378.700 3.997 0 40 GHAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 12515978 SERBBBBCOVPUGP-ZDUSSCGKSA-N 398.875 3.850 0 40 GHAB O=C(Nc1ccc(Cl)cn1)c1cccc(CS(=O)(=O)c2ccccc2)c1 44333257 GHQJZNLJMPTTRN-UHFFFAOYSA-N 386.860 3.961 0 40 GHAB CN(Cc1nccn1CC(F)(F)F)C(=O)c1csc(Br)c1 57754666 JHFOKAABFCLQMQ-UHFFFAOYSA-N 382.205 3.542 0 40 GHAB O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 27394480 DQWZGVRWSIRGLR-UHFFFAOYSA-N 397.438 3.766 0 40 GHAB O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cc(F)cc(F)c2)CC1 58113786 RMTVUXJRELCWJV-UHFFFAOYSA-N 393.821 3.998 0 40 GHAB CCOC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 22540759 JTKUWFBQZPETNE-INIZCTEOSA-N 382.460 3.604 0 40 GHAB NC(=O)C1CCN(c2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc23)CC1 27985677 FEEOBOWCWOEWLH-UHFFFAOYSA-N 399.454 3.654 0 40 GHAB O=C(NCCOc1cccc2ccccc12)c1ccc(CN2CCCC2=O)cc1 55775401 SBSDKJQYPAFYPK-UHFFFAOYSA-N 388.467 3.771 0 40 GHAB O=S(=O)(c1cccc2nsnc12)N1CCC(=Cc2cccc(F)c2)CC1 36395995 MIBZNHGPJPFEON-UHFFFAOYSA-N 389.477 3.699 0 40 GHAB NC(=S)Nc1ccc2oc(-c3cccc(I)c3)nc2c1 20154524 TVKKAFGKSJFEJB-UHFFFAOYSA-N 395.225 3.755 0 40 GHAB c1cncc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c1 12550898 GGFLNGGLLRDAEV-UHFFFAOYSA-N 382.489 3.590 0 40 GHAB CC[C@@H](C)NC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12 2375416 XZGUDRSBXOZGLM-CYBMUJFWSA-N 389.459 3.693 0 40 GHAB COc1ccc(OCC(=O)Nc2nonc2-c2ccc(OCC(C)C)cc2)cc1 27793278 KYSOXJIAFOVKQU-UHFFFAOYSA-N 397.431 3.798 0 40 GHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccccc1F 11215062 ZPIVRRCNQWQGEL-UHFFFAOYSA-N 376.435 3.887 0 40 GHAB CC(C)Cn1c(SCCS(=O)(=O)c2ccccc2)nnc1-c1ccco1 11209963 YDBTZOMLJXQSGJ-UHFFFAOYSA-N 391.518 3.760 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccnc2Nc2ccccc2F)C1 12551288 LGBDBABNNRCVCF-GASCZTMLSA-N 385.439 3.626 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)c3ccc(NC(C)=O)cc3)o2)cc1 2641218 AWQKQFTYOYJCTN-UHFFFAOYSA-N 383.429 3.679 0 40 GHAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(OC(F)F)c(OC)c1 2661169 HTUFPQYGMXMRCL-UHFFFAOYSA-N 380.343 3.865 0 40 GHAB CCCCCc1ccc(OCc2nnc3n(C)c(=O)c4ccccc4n23)cc1 12633799 FGZKXBBTKKJKOZ-UHFFFAOYSA-N 376.460 3.893 0 40 GHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)NCc3cccs3)ccc21 22505393 LQXMISWSKNLYJQ-UHFFFAOYSA-N 393.534 3.562 0 40 GHAB O=C(Cc1csc(-c2ccccn2)n1)NCc1ccccc1OC(F)(F)F 12870578 CKAPORAGVQZLLW-UHFFFAOYSA-N 393.390 3.963 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 3532827 OOZNKZHPVOVBLI-QGZVFWFLSA-N 378.881 3.522 0 40 GHAB CC[C@H](C)n1c(SCC(=O)c2ccc(O)cc2O)nc2ccccc2c1=O 3510126 AVXZIVOPYSZFKQ-LBPRGKRZSA-N 384.457 3.754 0 40 GHAB O=C1C[C@H](C(=O)Nc2ncc(Cc3ccccc3)s2)c2ccc(F)cc2N1 12923788 JLIYNZYCHDHLIT-INIZCTEOSA-N 381.432 3.938 0 40 GHAB CCc1noc(CSc2nc3sc(C)c(C)c3c(=O)n2CC(C)C)n1 12998873 MEWMONGEIRXPCF-UHFFFAOYSA-N 378.523 3.969 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)N[C@H](C(=O)O)c3ccccc3)s2)cc1 71328967 LIPDGCARWFUZLZ-INIZCTEOSA-N 382.441 3.683 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(C)c2)cc1 9237314 NDOZLXRTFRSSJG-QZTJIDSGSA-N 379.489 3.601 0 40 GHAB O=C(CSc1cccc[n+]1[O-])Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 84525564 OHPAZWWCNDMNRL-OAHLLOKOSA-N 397.525 3.780 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)cc2C)cc1 6289194 UGWSHJJEYSXDNJ-UHFFFAOYSA-N 381.881 3.898 0 40 GHAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)CCC2 6236160 XRALTPAMEUYTRW-UHFFFAOYSA-N 398.528 3.531 0 40 GHAB CSc1ccc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 5263508 OUVZDPQUZOTXDR-NRFANRHFSA-N 398.484 3.537 0 40 GHAB Cc1cccc(NC(=O)C2CCN(Cc3cc(Cl)nc(Cl)c3)CC2)n1 65487852 OSBATKJEIYOCED-UHFFFAOYSA-N 379.291 3.943 0 40 GHAB COc1ccc(CCCN(C)C(=O)c2ccc(Br)o2)cc1OC 14163034 DRDWVFKZSBRMCM-UHFFFAOYSA-N 382.254 3.764 0 40 GHAB CC[C@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3cccc(OC)c3)cc2C1 24589985 MIIUYRDCJIXMPY-AWEZNQCLSA-N 386.517 3.982 0 40 GHAB FC(F)(F)c1nnc2ccc(Sc3nnc(-c4ccc(Cl)cc4)o3)nn12 14259167 PWUPBLMEFUWKDZ-UHFFFAOYSA-N 398.757 3.998 0 40 GHAB Cc1ccc(SCC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c(C)c1 14248419 JZNVKOZKLSXNNW-UHFFFAOYSA-N 394.422 3.773 0 40 GHAB C[C@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)N(C)c1ccccc1 5561015 ISJPBVXMEMSWFW-HNNXBMFYSA-N 392.411 3.740 0 40 GHAB Cc1cc(C)c(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c(Cl)c1 14789249 LDYKGDFGDXIAGQ-UHFFFAOYSA-N 378.881 3.749 0 40 GHAB Cc1ccccc1-n1nnnc1SCC(=O)c1ccccc1Br 6864943 FQIPDNRBBTWMCT-UHFFFAOYSA-N 389.278 3.708 0 40 GHAB CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)N2CCC[C@H](C)C2)cc1 9479032 ZUKQOXGJCPYHPE-INIZCTEOSA-N 397.475 3.639 0 40 GHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(Br)c2)c1C 6919657 ROUOIYSNDGMWTQ-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB CCc1ccc(N2C[C@@H](C(=O)Nc3nnc(C(C)(C)CC)s3)CC2=O)cc1 4976697 WADCYOVAECATER-AWEZNQCLSA-N 386.521 3.780 0 40 GHAB CC(C)COc1ccc(Cc2c(O)nc(NCc3ccccc3)[nH]c2=O)cc1 27532664 YLDKOYCZTKJDST-UHFFFAOYSA-N 379.460 3.713 0 40 GHAB C[C@H](NC(=O)CNC(=O)/C=C/c1ccccc1)c1cccc(C(F)(F)F)c1 15694704 PCRZMLRUDAMPCA-VNDWYCCKSA-N 376.378 3.712 0 40 GHAB C[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1 15745244 FSMLYBBRUZJDKT-CVDCTZTESA-N 386.495 3.948 0 40 GHAB FC(F)(F)COCCSc1nnc(-c2ccncc2)n1CC(F)(F)F 67808340 AAOLLJYBOFTVAF-UHFFFAOYSA-N 386.321 3.573 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccnn2C2CCCC2)c(OC)c1 7741084 VIWMTLMNKQLQBW-LJQANCHMSA-N 398.507 3.791 0 40 GHAB COc1cc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc(OC)c1 7955057 UIFRAPFOYBXHCC-CMDGGOBGSA-N 394.471 3.594 0 40 GHAB Cc1cc(CSc2ccccc2C(=O)NCc2cn3ccccc3n2)no1 8279251 AGPQNSFDUDVMCW-UHFFFAOYSA-N 378.457 3.853 0 40 GHAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OC(F)F 69392901 WQYRMXNJVGJWAP-IUODEOHRSA-N 386.439 3.844 0 40 GHAB CNC(=O)c1[nH]cnc1-n1nc(-c2ccc3ccccc3c2)cc1C(F)(F)F 8564992 JLMPAKRWHVBOGJ-UHFFFAOYSA-N 385.349 3.794 0 40 GHAB C[C@@H](NC(=O)CN1C(=O)CC2(CCCC2)C1=O)c1ccc(-c2ccccc2)cc1 9691408 HVZDMPOLKDHNTK-QGZVFWFLSA-N 390.483 3.850 0 40 GHAB O=C(O)Cc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 20151981 HHIMVWYNJHIOOK-UHFFFAOYSA-N 383.256 3.747 0 40 GHAB CCOC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)c1 18245002 HQGYQEJSRZMEHJ-DBVUQKKJSA-N 377.440 3.937 0 40 GHAB CCCc1nn(C)c(-c2nn3c(-c4ccc(OC)cc4)nnc3s2)c1Cl 8715092 HLTMROMVMZPCBD-UHFFFAOYSA-N 388.884 3.868 0 40 GHAB C[C@@H](Oc1ccccc1F)c1nnc(SCc2cc(=O)n3ccccc3n2)o1 8744759 GQLMEEGJSVDWDL-GFCCVEGCSA-N 398.419 3.649 0 40 GHAB O=C(Cc1csc(-c2ccccn2)n1)OCC(=O)c1ccc2c(c1)CCC2 18578686 MNWKVYFTTVDHIM-UHFFFAOYSA-N 378.453 3.662 0 40 GHAB CCn1c(SCC(=O)c2ccc3c(c2)OCCCO3)nnc1-c1ccco1 9028462 UHJOMVSVCYCBHO-UHFFFAOYSA-N 385.445 3.694 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)N2N=C(C(C)C)C[C@@]2(O)C(F)(F)F)c1 409053728 HIWWBFKBIOBVGI-GOSISDBHSA-N 386.414 3.992 0 40 GHAB C[C@@H](N[C@H]1CCSc2ccc(F)cc21)c1ccc(S(=O)(=O)N(C)C)cc1 95955782 MZWFGDLAHLBVBG-ACJLOTCBSA-N 394.537 3.964 0 40 GHAB Fc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc5c(c4)OCO5)C2)C3)cc1 306145074 ZWZXMLHSRMZIBS-HSZRJFAPSA-N 391.446 3.866 0 40 GHAB CCOc1ccccc1N1C[C@H](C(=O)O[C@H](CC)C(=O)c2ccccc2)CC1=O 408641290 CKDSQXZWMRWHNH-IEBWSBKVSA-N 395.455 3.643 0 40 GHAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2CN(Cc3ccccc3F)C[C@@H]21 306125001 CEGZCGAYZJEYKX-KNQAVFIVSA-N 394.471 3.643 0 40 GHAB CCCCN1C(=O)S/C(=C\c2cc(OC)c(O)cc2Br)C1=O 409061126 VTMTYUFGKOYERP-QPEQYQDCSA-N 386.267 4.000 0 40 GHAB CNC(=O)c1cc([C@H]2CN(CCCc3ccccc3)CCO2)nc2ccccc12 72356140 PMDSKJTUGBUKFZ-HSZRJFAPSA-N 389.499 3.601 0 40 GHAB Cc1nc2nc(SCC(=O)N(C)[C@H](C)c3ccc(F)cc3)nn2c(C)c1C 40119157 LWPUEZNVHNYUKC-CQSZACIVSA-N 387.484 3.500 0 40 GHAB C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 40156879 RRFFCDKPWJLKFG-LBPRGKRZSA-N 380.366 3.706 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(OC)c1 222797480 UERRMNOOLUMZSD-VQTJNVASSA-N 378.501 3.873 0 40 GHAB CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 40089744 JOVAUVBWAHXLRI-UHFFFAOYSA-N 378.303 3.993 0 40 GHAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1C 223416111 KGQQHPLPJCSWIS-QZTJIDSGSA-N 388.533 3.644 0 40 GHAB O=C(NCCSC1CCCC1)c1ccccc1I 46450274 CKCQASUJOWEQIK-UHFFFAOYSA-N 375.275 3.697 0 40 GHAB CSc1nnc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)s1 223664103 GQSIRPNTWNLFLY-LBPRGKRZSA-N 382.942 3.764 0 40 GHAB COc1ccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)c(OC)c1 41077015 QKPCFHABFINRGP-UHFFFAOYSA-N 395.459 3.988 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1F 225100840 UUJHAPMQDKCRAF-IBGZPJMESA-N 386.467 3.538 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C(C)C 193440661 BZQFAYCTDLYANR-UHFFFAOYSA-N 376.478 3.886 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 77100382 ZZDDBAPSQLVKLG-UHFFFAOYSA-N 385.708 3.726 0 40 GHAB COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccc(C)cc1 224125280 YJIADFKPPLBVSN-UHFFFAOYSA-N 390.439 3.934 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSCc1ccccc1F 222704190 QAZWRBWOXUGBQE-UHFFFAOYSA-N 393.436 3.501 0 40 GHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 223288968 DRLCVYZRBBNDIO-UXHICEINSA-N 383.565 3.532 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1F 225200297 MZBZBRHVERISHJ-INIZCTEOSA-N 388.458 3.841 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nnc(SC(C)C)s2)cc1C(C)C 222755892 ZPNXPXOGQPJYGQ-UHFFFAOYSA-N 387.552 3.971 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1 223139559 ITXYOJJXTOYTIL-JKSUJKDBSA-N 388.458 3.839 0 40 GHAB CCCCOc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 94993046 YMVSYULBWXVBJT-UHFFFAOYSA-N 377.444 3.774 0 40 GHAB Cc1cccc([C@@H]2CN(Cc3ccc(-c4ccccc4C(=O)O)o3)CCO2)n1 257206845 BFCLIMVEUQAGIV-NRFANRHFSA-N 378.428 3.922 0 40 GHAB CCc1onc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1 257306023 SSNYMIWXEDYPJJ-SHTZXODSSA-N 395.463 3.694 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cncs1 257204869 AWQHXTFBWFETMP-OUFKLWKOSA-N 377.510 3.536 0 40 GHAB Cc1cccc2c1OC[C@H](NC(=O)N[C@H](Cc1ccccc1)c1ncco1)C2 654568707 XXCAMXGMEPXWTB-RTBURBONSA-N 377.444 3.570 0 40 GHAB COC(=O)N1CCc2ccc(NC(=O)c3cc4ccc(OC)cc4[nH]3)cc2C1 96103685 QIGRSISIAXZLPG-UHFFFAOYSA-N 379.416 3.553 0 40 GHAB C[C@@H]1CCc2c(sc3ncn(CC(=O)N4c5ccccc5C[C@H]4C)c(=O)c23)C1 5318879 AARLXQNDNHZMEJ-ZIAGYGMSSA-N 393.512 3.561 0 40 GHAB Cc1ccc([C@]2(OCc3ccccc3)NC(=O)c3cc4c(cc32)OCCO4)cc1 12858401 XICZLTLVKCOIIF-XMMPIXPASA-N 387.435 3.928 0 40 GHAB Cc1ccccc1-c1noc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1 13495313 NPYFIMVOLUWZHY-GFCCVEGCSA-N 377.853 3.738 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 13583216 AETTVQQOWRKDFT-UHFFFAOYSA-N 387.288 3.804 0 40 GHAB COc1ccc(CN(Cc2cccc(C)n2)C[C@@H]2CCCO2)c(OC)c1OC 13993499 WAIRGZONDRDGAP-IBGZPJMESA-N 386.492 3.597 0 40 GHAB CCc1nnc2c3ccccc3nc(N3CCN(c4cccc(C)c4C)CC3)n12 16162613 UGEFRWHSTBTGKK-UHFFFAOYSA-N 386.503 3.783 0 40 GHAB Cc1cccc2c(C[C@@H](C)NC(=O)C[C@@H](C)n3nnc4ccccc43)c[nH]c12 19236596 OWQQIRJGNIWIJZ-HZPDHXFCSA-N 375.476 3.920 0 40 GHAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)CO2 19562369 OAKPJNXHWVJLBS-PKOBYXMFSA-N 397.471 3.627 0 40 GHAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2ccccc2)n1 19585261 CVAHQSKQXQEEBD-HXUWFJFHSA-N 387.487 3.972 0 40 GHAB CC(C)c1n[nH]c(CC(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)n1 19718476 WFNKQMGTXZAXJL-MRXNPFEDSA-N 394.523 3.807 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCC(=O)N1CCCCCC1 5449093 RKOKKDGKQMXVJS-UHFFFAOYSA-N 393.846 3.533 0 40 GHAB Cc1cc2nnc(SCC(=O)Nc3ccnn3C(C)C)n2c2ccccc12 5886330 KJPHYUSGADGQFY-UHFFFAOYSA-N 380.477 3.699 0 40 GHAB CN1CCN(c2ccccc2NC(=O)Cc2cccc(C(F)(F)F)c2)CC1 7105773 MKPMGLJTYMXTCD-UHFFFAOYSA-N 377.410 3.638 0 40 GHAB COc1ccc(S(=O)(=O)N2CCN=C2S[C@@H](C)c2ccccc2)cc1 2711466 NMHXSYJXUQRJMU-AWEZNQCLSA-N 376.503 3.550 0 40 GHAB CC[C@H](C)NC(=O)c1ccc2c(=O)n(Cc3ccccc3OC)c(=S)[nH]c2c1 3043678 NLNWFFBIDFUUHZ-ZDUSSCGKSA-N 397.500 3.644 0 40 GHAB CCN(CC)CCN(C(=O)c1ccco1)c1nc2cc3c(cc2s1)OCO3 4359486 GUQLUJHWCBFQJA-UHFFFAOYSA-N 387.461 3.607 0 40 GHAB Fc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)n2nnnc2N3)c1 10336901 RUFASFSNAVDXJN-RTWAWAEBSA-N 398.401 3.767 0 40 GHAB Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)n2nnnc2N3)cc1 10336848 CFWKDMVWSQTVFT-FCHUYYIVSA-N 394.438 3.936 0 40 GHAB COc1ccc(-c2cc(N3CCN(C/C=C/c4ccccc4)CC3)ncn2)cc1 36708977 RQYAGQFDOBHBFB-VMPITWQZSA-N 386.499 3.988 0 40 GHAB CSc1ccccc1C(=O)Nc1nn(C)c2c1[C@H](c1cccs1)CC(=O)N2 36705664 MKVVUTGIFUKPIB-LBPRGKRZSA-N 398.513 3.930 0 40 GHAB O=C(CCc1ccccc1)Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1 38679149 JJHMPLAWBVRJAP-UHFFFAOYSA-N 391.515 3.707 0 40 GHAB COc1ccc(-c2noc(-c3ccc(SCC(=O)N4CCCC4)nc3)n2)cc1 49405677 MWRGUVSXQFJWAK-UHFFFAOYSA-N 396.472 3.522 0 40 GHAB Cn1nccc1-c1ccc(CNC(=O)c2ccc(Oc3nccs3)cc2)cn1 575618433 AAMSHOGQSWQKSW-UHFFFAOYSA-N 391.456 3.661 0 40 GHAB O=C(c1ccc(Br)o1)N(CCc1cccs1)C1CCOCC1 206676011 HLEFHAJBKIPAIS-UHFFFAOYSA-N 384.295 3.968 0 40 GHAB COc1cccc([C@H](CNC(=O)Cc2c(C)[nH]c3ccc(C)cc23)N(C)C)c1 40070124 KGOLXQXNXFFFBB-QFIPXVFZSA-N 379.504 3.755 0 40 GHAB CC(C)c1ccc(N2C(=O)C[C@@H](N3CCc4c([nH]c5ccccc45)C3)C2=O)cc1 100793042 JTCVFMADQAXVLW-JOCHJYFZSA-N 387.483 3.982 0 40 GHAB biogenic COc1ccc(Cl)cc1-n1nnc(C(=O)NCc2ccccc2Cl)c1C 51317576 DDUZVRNIVYAIDM-UHFFFAOYSA-N 391.258 3.821 0 40 GHAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccccc1 102147788 VCQBEROAWHJKLT-CXTCDGGRSA-N 392.293 3.902 0 40 GHAB CCCn1c(=O)n(CCC(=O)N[C@H]2CCCc3ccccc32)c2ccccc21 21742124 RRSKBGSKRQZKPZ-IBGZPJMESA-N 377.488 3.797 0 40 GHAB CCNC(=O)COc1cccc(NC(=O)[C@@H](C)Sc2ccccc2Cl)c1 52778297 DTYUCKHXKNEYJL-CYBMUJFWSA-N 392.908 3.974 0 40 GHAB O=C(c1ccc2ccccc2c1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 21842471 DDMSZQHCXOTHNQ-GOSISDBHSA-N 385.510 3.731 0 40 GHAB CN1C(=O)[C@@H](OC(=O)c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C1=O 826891 DNHABDFDQDEBMP-OAHLLOKOSA-N 379.199 3.575 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(Br)cc1Br 1017053 ACBKARFLBWLKTB-IUCAKERBSA-N 379.092 3.894 0 40 GHAB CC[C@H](C)N(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 1365728 SGRDDAZIWFPEJR-XJKSGUPXSA-N 385.430 3.761 0 40 GHAB COc1cccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(OC)c4)no3)C2)c1 1362531 RWGMYZRZNJQJQQ-KRWDZBQOSA-N 393.443 3.774 0 40 GHAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 1379702 GNVFZNWPRHAOFA-GOSISDBHSA-N 389.858 3.834 0 40 GHAB CCOC(=O)[C@H](OC(=O)CCC(=O)Nc1c(C)cccc1C)c1ccccc1 2593691 TYDPDAADGQQMCH-OAQYLSRUSA-N 383.444 3.870 0 40 GHAB CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Cl)cc1Cl)C[S@@](=O)C2 2725029 FDORYNXUCFJSAU-DEOSSOPVSA-N 386.304 3.960 0 40 GHAB C[C@@H](OC(=O)c1cc(F)c(F)cc1Cl)C(=O)Nc1ccc2c(c1)OCO2 3445705 OSAPEPZYFUEMCX-MRVPVSSYSA-N 383.734 3.531 0 40 GHAB C[C@@H](NC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(Cl)c1 44206020 KVCLVQBJEUDJAT-CYBMUJFWSA-N 385.851 3.872 0 40 GHAB O=c1ccc2cc(S(=O)(=O)Oc3ccc(Cl)c4cccnc34)ccc2o1 44304245 OQSUYNYSFSKTLX-UHFFFAOYSA-N 387.800 3.762 0 40 GHAB CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1c(C)cccc1C 8433720 HIGSVAZCGJLOQD-UHFFFAOYSA-N 382.460 3.766 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1F)c1ccccc1F 8810726 WVOKLZMESPARSJ-UHFFFAOYSA-N 394.443 3.782 0 40 GHAB C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)NCc1ccco1 10316336 XBLLLVUZHIFWLG-JTQLQIEISA-N 378.454 3.811 0 40 GHAB CCOc1c(Br)cc(/C=C2\N=C(C)OC2=O)cc1Br 2196132 JCGMKKDOJNKAFU-WDZFZDKYSA-N 389.043 3.926 0 40 GHAB COc1ccc(C(=O)NC(=S)N(C)c2ccccc2)cc1Br 2136282 GJRVZJZSMMGUER-UHFFFAOYSA-N 379.279 3.609 0 40 GHAB Cc1csc([C@@](O)(CC(=O)NCC2(c3ccccc3)CCC2)C(F)(F)F)n1 58406987 YFIFGCWHIXMFEH-SFHVURJKSA-N 398.450 3.830 0 40 GHAB CCCn1nccc1[C@@H]1CC(c2c(O)cc(C)oc2=O)=Nc2ccccc2N1 36619562 ACVKJYVSRWFGHO-INIZCTEOSA-N 378.432 3.938 0 40 GHAB O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)Nc1ccccc1F 57688596 XWXNWLQAWGZVSI-UHFFFAOYSA-N 396.491 3.710 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3ccc(OC[C@H]4CCCO4)cc3)CC2)c1C 2626112 KSBPTYBRFAUABC-JOCHJYFZSA-N 394.515 3.824 0 40 GHAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)C(c2ccccc2)c2ccccc2)no1 12028938 LGSFKDYMWVLNOD-IBGZPJMESA-N 389.455 3.745 0 40 GHAB O=C(CSc1nnnn1-c1ccc2ccccc2c1)Nc1ccccc1F 12293138 QOBOYDYGYKHSJH-UHFFFAOYSA-N 379.420 3.685 0 40 GHAB COc1ccc([C@H](CNC(=O)c2ccc(OC)c(Cl)c2)N2CCCC2)cc1 27994269 QSIUZQBXFQSALZ-IBGZPJMESA-N 388.895 3.924 0 40 GHAB biogenic COc1ccccc1N1CCN(CCc2ccc3c(Cl)ccc(O)c3n2)CC1 59474707 ONZWAHNKHXDROA-UHFFFAOYSA-N 397.906 3.967 0 40 GHAB COc1ccc(C(=O)OCC(=O)c2cccc3ccccc23)c(OC)c1OC 3227566 IHAQCRHQMBJNLC-UHFFFAOYSA-N 380.396 3.905 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2c[nH]c3ccccc23)c1 12764960 IBSLVQQHFJZQQB-UHFFFAOYSA-N 376.865 3.796 0 40 GHAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCCSCc1ccc(C)cc1 12757141 PDFPGFBMJFCPPB-KRWDZBQOSA-N 380.513 3.860 0 40 GHAB Cc1ccc(F)cc1NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12790648 ZJYGZVAWMPGNBI-UHFFFAOYSA-N 393.344 3.784 0 40 GHAB CCc1cc2c(SCC(=O)N3CCN(c4ccccc4)CC3)ncnc2s1 3357046 AADKOSJZUDHXCR-UHFFFAOYSA-N 398.557 3.695 0 40 GHAB CN(Cc1ccccc1NC(=O)N1CCN(C(=O)C2CC2)CC1)C1CCCCC1 48325913 UXVJWBOUOPRGHQ-UHFFFAOYSA-N 398.551 3.537 0 40 GHAB Cc1cc(N2CCN([C@H](C)C(=O)Nc3c(C)cccc3C)CC2)nc(C(C)C)n1 12866779 DXUBSLZQXAWBAW-LJQANCHMSA-N 395.551 3.674 0 40 GHAB Cc1ccc(F)c(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1 12822218 NNGAIBYRJBSBMA-UHFFFAOYSA-N 386.448 3.594 0 40 GHAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1cc(Cl)cc(Cl)c1 12975663 LMZLQDXRTSBISD-VQHVLOKHSA-N 399.299 3.912 0 40 GHAB CCCc1nc2n(n1)[C@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 9225247 AZEOSTHAMNUHAJ-KRWDZBQOSA-N 391.431 3.545 0 40 GHAB O=C(OCc1cccc(C(F)(F)F)c1)c1ccc(N2C(=O)CCC2=O)cc1 39477202 NKFDRXFPZUYFJM-UHFFFAOYSA-N 377.318 3.716 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc3ccccc3cc2O)cc1 5079200 PZELBNKWLJEFLS-AWEZNQCLSA-N 377.396 3.932 0 40 GHAB Cc1cccc(C(=O)N(c2ccc(C)c(Cl)c2)[C@H]2C=CS(=O)(=O)C2)c1 5070754 XQKBYMVLTIPDKM-KRWDZBQOSA-N 375.877 3.914 0 40 GHAB CCOc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1 5034042 SXHGPZUXQNTDKT-OAHLLOKOSA-N 397.504 3.797 0 40 GHAB O=C(COc1ccc2c(c1)CCC2)Nc1cccc(I)c1 6284850 CXWDFKRATGWJSU-UHFFFAOYSA-N 393.224 3.797 0 40 GHAB COc1cc(-c2nnc3sc(/C=C/c4ccco4)nn23)cc(OC)c1OC 4383998 LIOZTUZNCGNUJR-VOTSOKGWSA-N 384.417 3.642 0 40 GHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc(Cl)sc1Cl 14015820 GOLJKDMRCACZOF-UHFFFAOYSA-N 385.316 3.817 0 40 GHAB Cc1nnc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)s1 14201911 GHSJYFVOLNMGMC-UHFFFAOYSA-N 386.437 3.547 0 40 GHAB COc1cc(CC(=O)N(C)Cc2nc3ccccc3s2)cc(OC)c1OC 5406294 XKVZVGQQWITWPA-UHFFFAOYSA-N 386.473 3.523 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)n1cnc2sc(C)c(C)c2c1=O 5550657 ZVKCNUZUMHQBPA-SNVBAGLBSA-N 391.880 3.937 0 40 GHAB CCCCn1c(SCC(=O)N2CCCC[C@@H]2CC)nc2cc(C)[nH]c2c1=O 67238357 NORAEEKNOXQPSK-HNNXBMFYSA-N 390.553 3.716 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NCc2cccc(Cl)c2)c1 7718717 WXZFNXFFBOZMMZ-LJQANCHMSA-N 388.895 3.811 0 40 GHAB O=C(C[S@](=O)Cc1csc(-c2ccc(F)cc2)n1)Nc1cccc(F)c1 71801144 CUROQISDKLGXTQ-SANMLTNESA-N 392.452 3.976 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccnn1Cc1ccccc1 7987176 GUGBRTZHSJGFBK-UHFFFAOYSA-N 399.376 3.939 0 40 GHAB COc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)c(OC)c1 8217726 FLWOGIRAZOCLDB-CYBMUJFWSA-N 388.851 3.657 0 40 GHAB Cc1csc(SCc2ccc(C(=O)NCc3nnc4ccccn34)cc2)n1 17641655 DYOPULHSOPGVEN-UHFFFAOYSA-N 395.513 3.717 0 40 GHAB COc1cc(NC(=O)CCOc2ccc(F)cc2F)ccc1N1CCCC1=O 69879412 SMZLRKQCHRXVIW-UHFFFAOYSA-N 390.386 3.508 0 40 GHAB COc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)c1 18241420 HQLQDGUDNFNKJG-RTBURBONSA-N 378.428 3.627 0 40 GHAB CCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(C)c1 408709859 YIMOVJOURWLHLN-UHFFFAOYSA-N 395.503 3.560 0 40 GHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cccc(CN2CCCC2=O)c1 8709565 ZUYMXSRAOWXSJF-UHFFFAOYSA-N 397.563 3.728 0 40 GHAB Cc1ccc(NC(=O)N[C@]2(CO)CCCN(Cc3ccccc3)C2)cc1Cl 72288958 FGAMFAQLKQJGPG-OAQYLSRUSA-N 387.911 3.797 0 40 GHAB Cc1cccc(-n2ncc(C(=O)NC(C)(C)c3ccc4c(c3)OCCO4)c2C)c1 84213230 OIPRCJNNALPKHT-UHFFFAOYSA-N 391.471 3.925 0 40 GHAB Cc1ccn2cc(CNC(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)nc2n1 89700929 VZKYSJNNSJMERI-KGLIPLIRSA-N 375.259 3.764 0 40 GHAB CCN1CCCc2cc(CCNC(=O)c3ccc(Br)o3)ccc21 22732609 WSXUWEAFHUBSEA-UHFFFAOYSA-N 377.282 3.787 0 40 GHAB COc1ccc(Cl)cc1C(=O)/N=c1\sccn1CC(=O)c1ccccc1 409206649 ZIUPLBGMVAPSDP-VZCXRCSSSA-N 386.860 3.836 0 40 GHAB CCOc1ccc(CCc2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 547133919 BUYGNHXNGVHFEL-KRWDZBQOSA-N 377.444 3.774 0 40 GHAB N=c1[nH]nc(SCC(=O)Nc2ccc(Br)c3ccccc23)s1 408600157 WANPSGXOLAZUMO-UHFFFAOYSA-N 395.307 3.597 0 40 GHAB Cc1cc(C(=O)N2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c(C)o1 306139333 SUUGNHZGLZCFGZ-FQEVSTJZSA-N 383.473 3.637 0 40 GHAB Cc1noc(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2onc(C)c12 36618372 BKEARCCTRPUTKQ-UHFFFAOYSA-N 392.371 3.784 0 40 GHAB COc1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)NC(C)(C)C2)cn1 36740467 CCMOBFKUFVKDRW-UHFFFAOYSA-N 386.515 3.936 0 40 GHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCCc2ccccc21 523049013 XXSWAAYOFFSDFT-GOTSBHOMSA-N 389.499 3.799 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c(C)c1 30502129 BOOOVZALUPRUAJ-HNNXBMFYSA-N 380.469 3.993 0 40 GHAB CSc1cccc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)c1 1565524958 ZLMMWEBUZZSRMG-UHFFFAOYSA-N 396.512 3.942 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(F)ccc1F 46419316 RPAJVHJNRMTCQK-MRXNPFEDSA-N 394.805 3.870 0 40 GHAB CCCC(=O)N1CCN(CCC)C(=O)[C@H]1Cc1cccc(-c2cccnc2)c1 72351748 RRADZENYAMYPDM-OAQYLSRUSA-N 379.504 3.541 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 223936010 PYOKPORQYVBGKD-RZQQEMMASA-N 384.501 3.714 0 40 GHAB Cc1ccc(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1C 222837603 HCUKRKAKAREJMX-UHFFFAOYSA-N 396.512 3.539 0 40 GHAB Cc1cccc(N([C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220125453 GKBZJHULSQZHFY-AWEZNQCLSA-N 380.897 3.750 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 223636120 IDKZKGJBZFSXIT-IBGZPJMESA-N 382.504 3.544 0 40 GHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225111794 LUKQDKADHJKBHE-OAHLLOKOSA-N 386.473 3.888 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224476911 ZSQPYDQBYBWFKL-IBGZPJMESA-N 396.531 3.736 0 40 GHAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1 224112692 RTNZBFJQCKUYKC-JOCHJYFZSA-N 394.515 3.932 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 224728613 ISUVUCKNZNFAMY-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB Cc1cc(C)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c(C)c1 222514730 NSTKOTSNIJHNHX-UHFFFAOYSA-N 380.897 3.913 0 40 GHAB COc1cccc(-c2noc(CNC(=O)COc3ccccc3C(C)C)n2)c1 222813965 IUXFHVBDMQNFAK-UHFFFAOYSA-N 381.432 3.564 0 40 GHAB COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2N2CCOCC2)cc1Cl 226262255 SDUSZPWHKFCUNI-UHFFFAOYSA-N 396.274 3.673 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 225350737 HIAIIBWWZIIMKG-MOPGFXCFSA-N 396.531 3.960 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc2)n1 148514923 YZEHUUYQJDPTQH-KRWDZBQOSA-N 391.471 3.810 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211811 XRXJORUSSBVZAL-UHFFFAOYSA-N 377.473 3.582 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)n1 257328403 XFMMICJLICCGFV-FQEVSTJZSA-N 378.476 3.833 0 40 GHAB CCOC(=O)[C@@]1(F)CN(C(=O)c2ccc(-c3ccco3)s2)CC12CCC2 1147035708 QUOKQOFJWOFGNL-IBGZPJMESA-N 377.437 3.906 0 40 GHAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N(Cc1ccccn1)C1CC1 665466908 LPGSFSOULYFJPR-HXUWFJFHSA-N 385.467 3.793 0 40 GHAB CCN(Cc1ccccc1NC(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]21)C(C)=O 665534300 OUZBPZPGKYHDRG-CEWLAPEOSA-N 381.451 3.654 0 40 GHAB O=C(Cc1ccc(Cl)cc1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111329 OOPUAEZBFRQHIZ-HXUWFJFHSA-N 395.890 3.558 0 40 GHAB O=C1N[C@]2(COC3(CCN(Cc4cccc(Cl)c4)CC3)C2)Nc2ccccc21 72325408 KDDOMCISSWTDKG-JOCHJYFZSA-N 397.906 3.647 0 40 GHAB O=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 5304931 LFNQTZRVNLJMDU-UHFFFAOYSA-N 379.435 3.646 0 40 GHAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3n2)cc1 5746809 KVOSXOGPAWZULF-UHFFFAOYSA-N 386.411 3.752 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)COc1ccc(Br)c(C)c1 5953281 WPLADKMNCQDXDQ-UHFFFAOYSA-N 392.249 3.952 0 40 GHAB CCn1c(C)cc2cc(NC(=O)c3sc4ncn(C)c(=O)c4c3C)ccc21 12148378 HCXJOSPXLRAYLD-UHFFFAOYSA-N 380.473 3.839 0 40 GHAB O=C(c1cccs1)N1CCN(Cc2c(C(F)(F)F)[nH]c3ncccc23)CC1 19345129 JYPVRRVYBXRTIN-UHFFFAOYSA-N 394.422 3.601 0 40 GHAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)C2CC2)C1 19591003 UEKKOJKZPOFEJD-DEOSSOPVSA-N 394.490 3.800 0 40 GHAB Cc1cccc2c(C(=O)NC[C@@H](C(C)C)N(C)C)cc(-c3cccnc3)nc12 19716686 DZOATRBWOWNGBG-NRFANRHFSA-N 376.504 3.921 0 40 GHAB COc1cc2c(cc1-c1cncn1C[C@@H](C)n1nc(C)cc1C)OCCCO2 19719990 RRQMMIWWVWWIFV-MRXNPFEDSA-N 382.464 3.795 0 40 GHAB COCCn1c(C)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1C 8334244 VAXQTJSOWHVSAD-YBFXNURJSA-N 395.484 3.860 0 40 GHAB CCOc1cc(/C=C/C(N)=O)ccc1OCc1ccc(Br)cc1 226365211 LMUZMFYWNZTVLU-UXBLZVDNSA-N 376.250 3.925 0 40 GHAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1CCN(C)CC1 226330986 DIDDGWLKHAQYHP-UHFFFAOYSA-N 393.318 3.888 0 40 GHAB CCOc1ccc(NC(=O)NCC2CCN(C3CCSCC3)CC2)cc1 245026614 NDCPWVJKBYLRFW-UHFFFAOYSA-N 377.554 3.814 0 40 GHAB Cc1ccc(OS(=O)(=O)c2ccc3oc(=O)ccc3c2)c2c1[C@@H](C)CC2=O 25672355 JTDQIPXPZFHHSU-LBPRGKRZSA-N 384.409 3.559 0 40 GHAB COc1cccc(C(=O)N2[C@@H](C(=O)O)CS[C@H]2c2ccccc2Cl)c1 729679 FVPGLRWDDAAXCV-WBVHZDCISA-N 377.849 3.690 0 40 GHAB COc1ccc(Cl)c2sc(NC(=O)c3ccccc3S(C)(=O)=O)nc12 5256635 OWMWUUXBAAPUGG-UHFFFAOYSA-N 396.877 3.614 0 40 GHAB O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)c3ccccc3)cc2C1 8977269 FXPYUQWFFUAQPW-UHFFFAOYSA-N 398.509 3.747 0 40 GHAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc21 13695303 GXCZLJSCYUILFI-UHFFFAOYSA-N 390.439 3.981 0 40 GHAB FC(F)(F)c1cnc(N2CC(COc3cccnc3)C2)c(Br)c1 1775972193 CRTTWIAEVFUYQD-UHFFFAOYSA-N 388.187 3.773 0 40 GHAB COc1cc(/C=C/C(=O)NC[C@@H]2CCCN2c2ccccc2)cc(OC)c1OC 211119268 ZKHOBMJVMLPPFK-CVTTXWKISA-N 396.487 3.511 0 40 GHAB COc1ccc(CCNC(=O)NCc2ccc([C@@H](O)c3ccccc3)s2)cc1 207973536 VWMQXKLRGUMMEK-NRFANRHFSA-N 396.512 3.880 0 40 GHAB Cc1ccc(-n2nc(C)cc2OS(=O)(=O)c2cccc3cccnc23)cc1 11691560 CKJDXGFAFPFMTO-UHFFFAOYSA-N 379.441 3.805 0 40 GHAB CC(C)Cc1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)n[nH]1 19447429 DFGXLECJTLLCAK-NNWRFLSQSA-N 398.526 3.888 0 40 GHAB O=C1[C@H]2N=NN(Cc3ccc(F)cc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 101167011 DMAODUWHGHUAPL-GJZGRUSLSA-N 393.205 3.626 0 40 GHAB Cc1ccc(-c2csc(NC(=O)C3=NN(Cc4ccccc4)C(=O)CC3)n2)o1 40129624 WJTWZZUVKHXXHS-UHFFFAOYSA-N 394.456 3.829 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)N[C@@H](CCc1ccccc1)c1ccccc1 40145890 IIDDMFYYBOFNMS-QFIPXVFZSA-N 397.478 3.887 0 40 GHAB CC(C)(CNC(=O)CSc1nc(-c2ccccc2F)n[nH]1)c1ccccc1 53264437 ZJFRHMFTJZJENA-UHFFFAOYSA-N 384.480 3.797 0 40 GHAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCN(c2cccc(Cl)c2)CC1 20716824 WMJPABSYPQOZDN-LJQANCHMSA-N 387.842 3.908 0 40 GHAB O=C(NCc1cccc(N2CCOC2=O)c1)Nc1ccccc1C(F)(F)F 52460281 JLMBSUVCUNBQNH-UHFFFAOYSA-N 379.338 3.984 0 40 GHAB CCCn1nc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)ccc1=O 32832910 WSSRZLPKKNCWAL-UHFFFAOYSA-N 397.454 3.528 0 40 GHAB CCOc1c(Br)cc(Cl)cc1NC(=O)/C=C/c1cnn(C)c1 22312438 YWVRFFZFCIVOHQ-SNAWJCMRSA-N 384.661 3.887 0 40 GHAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 22314077 UNIDNMDNTVKMTG-CQSZACIVSA-N 397.504 3.989 0 40 GHAB CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(F)cc3)cc12 714315 QJXQPHMROIQOEA-UHFFFAOYSA-N 389.404 3.825 0 40 GHAB Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C[C@H]2CCCO2)cc1 790197 BWTVBXJGCRZCIF-OAQYLSRUSA-N 390.483 3.966 0 40 GHAB C[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)NCc1ccccc1 1221538 KLFQXVFXBIUNTH-HNNXBMFYSA-N 389.484 3.613 0 40 GHAB O=C(CSCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1 1907407 AIXPUNHIPNOCIW-UHFFFAOYSA-N 386.448 3.574 0 40 GHAB COCCOC(=O)c1c(N)n(-c2cccc(C)c2C)c2nc3ccccc3nc12 2223293 RZDCODVNLCKWSH-UHFFFAOYSA-N 390.443 3.576 0 40 GHAB COC(=O)c1sc2nc(C)nc(S[C@H](C)C(=O)NC3CCCC3)c2c1C 3302395 OYCNQHODMSMKQF-SNVBAGLBSA-N 393.534 3.634 0 40 GHAB S=c1n(CN2CCCC2)nc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 3362761 AGMYGVCNMJLIPV-IBGZPJMESA-N 394.500 3.969 0 40 GHAB COc1ccc2c(CC(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)coc2c1 3419509 LSWGYYFWWFWUCB-UHFFFAOYSA-N 391.782 3.958 0 40 GHAB Cc1ccccc1Nc1nnc(SCC(=O)NC(=O)NCCC(C)C)s1 3465451 JXDTUAPIACSLAN-UHFFFAOYSA-N 393.538 3.554 0 40 GHAB CCCCOc1ccccc1/C=c1\sc2nc(-c3ccc(F)cc3)nn2c1=O 3637344 ZFYOUBGFYUCJFH-AQTBWJFISA-N 395.459 3.684 0 40 GHAB COCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccco1 4161484 FUVGCKOVZWONIC-UHFFFAOYSA-N 386.477 3.532 0 40 GHAB Nn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 5257230 ICXDKQRAGGKZNN-UHFFFAOYSA-N 394.287 3.697 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 5304854 UVCMSERAWWOWCF-HOTGVXAUSA-N 393.462 3.987 0 40 GHAB Cc1ccc(NC(=O)NC(=O)COC(=O)c2oc3ccccc3c2C)c(C)c1 5310455 LTNAROFCDBDSCK-UHFFFAOYSA-N 380.400 3.863 0 40 GHAB COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O 5441880 GYFQKIYUCWRHIS-UHFFFAOYSA-N 388.851 3.883 0 40 GHAB CCOC(=O)CCc1c(C)c2ccc(OC(=O)c3ccco3)c(C)c2oc1=O 5547062 MALOIUSLLNEDSL-UHFFFAOYSA-N 384.384 3.718 0 40 GHAB Cc1nnc(SCC(=O)N2CCC(c3ccccc3)=N2)n1C1CCCCC1 5866430 VDHNENPEOTYPIS-UHFFFAOYSA-N 383.521 3.820 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 6348476 NIBBRHJYBDOXMT-UHFFFAOYSA-N 396.468 3.813 0 40 GHAB C[C@@H](OC(=O)c1cc(F)c(F)cc1Cl)C(=O)Nc1ccc(N(C)C)cc1 6623060 ANHRNJJSTZWROB-SNVBAGLBSA-N 382.794 3.868 0 40 GHAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)cc1 6650940 HONRYQVHTYNZMH-WJDWOHSUSA-N 377.462 3.853 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 6786418 OOOSVUBVEDKPFH-LFPRZYRFSA-N 375.534 3.733 0 40 GHAB C[C@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1cccc(Cl)c1 6850669 NXQLVSTYYAJCSI-LBPRGKRZSA-N 381.819 3.674 0 40 GHAB CC(C)CCNC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 6907263 WPJBFGNZZWWSDG-UHFFFAOYSA-N 387.530 3.702 0 40 GHAB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc1 6963675 LSPRHFFTQUXPEP-HXUWFJFHSA-N 379.460 3.969 0 40 GHAB O=C(COC(=O)c1csc2c1CCCC2)NCCc1c[nH]c2ccccc12 7021256 KDFPJGGBKWNEEG-UHFFFAOYSA-N 382.485 3.624 0 40 GHAB Cc1ccc(C2=NN(C(=O)CSc3nncs3)[C@H](c3ccco3)C2)cc1 7194881 YNLCLHORIISZLS-HNNXBMFYSA-N 384.486 3.910 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 7310794 WICCMDMWHGBJSN-CYBMUJFWSA-N 388.851 3.739 0 40 GHAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1OC 7975102 MHPQQGSZXLMGQC-INIZCTEOSA-N 382.460 3.648 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CCN1C(=O)COc2ccccc21 8028946 KMRYIPAPAXVISE-UHFFFAOYSA-N 389.249 3.512 0 40 GHAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C2CC2)n1C1CC1 8039608 XITIOKOLTAKELF-UHFFFAOYSA-N 382.942 3.956 0 40 GHAB C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 8193346 IXRYRQHRSUIURV-KRWDZBQOSA-N 386.517 3.994 0 40 GHAB COc1cc2c(c3oc(=O)c(CCC(=O)NC(C)C)c(C)c13)CCC(C)(C)O2 8764544 RSFLPCACGOIDTQ-UHFFFAOYSA-N 387.476 3.671 0 40 GHAB biogenic CC(=O)N[C@@H](CC(=O)NCc1ccccc1OC(F)(F)F)c1cccs1 9735123 ZYCVOJBDHOPHCV-ZDUSSCGKSA-N 386.395 3.530 0 40 GHAB CCCc1n[nH]c(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)n1 11468220 HTKIOAWVERCIOS-KRWDZBQOSA-N 390.509 3.956 0 40 GHAB CCCCC1CCC(C(=O)NCCCn2nc(-c3ccncc3)ccc2=O)CC1 11746528 NOGPYMZSMRHBRL-UHFFFAOYSA-N 396.535 3.808 0 40 GHAB COc1ccc(-c2cnc(NC(=O)c3cnn(-c4ccc(F)cc4)c3)n2C)cc1 12143783 BXDYUPSBOMITOE-UHFFFAOYSA-N 391.406 3.673 0 40 GHAB O=C1NC2=C(C(=O)N(Cc3cccs3)C2)[C@@H](c2ccc(Cl)c(Cl)c2)N1 12347040 JNDJBGYCFNLNNP-OAHLLOKOSA-N 394.283 3.705 0 40 GHAB Cc1cc(NC(=O)[C@@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)no1 12542363 DQOXFDLPRSTDEE-NRFANRHFSA-N 390.443 3.902 0 40 GHAB COc1ccc(Nc2nc(COC(=O)c3c(C)cc(=O)oc3C)cs2)cc1 12549710 UOWCAIUSNVIBQZ-UHFFFAOYSA-N 386.429 3.822 0 40 GHAB O=C(CCn1cnc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12549916 RDLWNTOVVMWTHP-LJQANCHMSA-N 391.471 3.951 0 40 GHAB CC(=O)c1ccc(N2CCN(CC(=O)N(C3=CCCCC3)C3CC3)CC2)c(F)c1 12554755 SGDVHWLWEODYQX-UHFFFAOYSA-N 399.510 3.599 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 12749760 LRQGIULQFXMXGA-BHIYHBOVSA-N 392.565 3.806 0 40 GHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)c(OC)c1 12765340 GFOXIMRSMNTKLY-MRXNPFEDSA-N 381.881 3.883 0 40 GHAB O=S(=O)(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 12816387 OOFYKTSFZROMOJ-HXUWFJFHSA-N 395.480 3.720 0 40 GHAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cccc(Br)c1 12820603 NIOQXAKNOHJQON-HNNXBMFYSA-N 379.254 3.515 0 40 GHAB O=C1CCSc2ccc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)cc2N1 12895682 URNQEILWENOCCC-UHFFFAOYSA-N 394.496 3.856 0 40 GHAB O=C1NC2(CCCCC2)C(=O)N1CN1CCC[C@H](c2nc3ccccc3s2)C1 13041736 QLSBDVLYLYICAR-HNNXBMFYSA-N 398.532 3.688 0 40 GHAB CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715182 SLZHFEZOLAWQRY-SFHVURJKSA-N 378.469 3.626 0 40 GHAB COc1ccccc1-n1nnnc1SCc1cccc(Br)c1 14069368 GGGUMAMQPXLDEH-UHFFFAOYSA-N 377.267 3.726 0 40 GHAB CC[C@H]1c2ccsc2CCN1CC(=O)Nc1cc(NC(C)=O)ccc1OC 15547574 MXLIIUFPMRHKER-KRWDZBQOSA-N 387.505 3.663 0 40 GHAB Cc1ccccc1-c1cccc(C[C@@H]2CN(C(=O)C3CCC3)CCNC2=O)c1 19237450 NIUUULQISGYYCN-OAQYLSRUSA-N 376.500 3.579 0 40 GHAB COc1cccc([C@H]2CN(C(=O)c3ccc4c(c3)CCCC4)[C@@H]3CCCN[C@H]23)c1 19566444 LOUGLYWQRCRLBH-WXFUMESZSA-N 390.527 3.934 0 40 GHAB Cc1nn(C)cc1C(=O)N1CCC[C@H](c2cc(C(F)F)c3c(C)noc3n2)C1 19583516 PSENBZXLSLTLSJ-LBPRGKRZSA-N 389.406 3.531 0 40 GHAB COCc1cc(C)nc2c1C(=O)N1C(=O)c3ccccc3[C@H]1N2Cc1ccccc1 19932532 YKACTSFZSNNDBM-QFIPXVFZSA-N 399.450 3.851 0 40 GHAB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cccc2ccccc12 20637666 ZAFOCJUYJMKFGN-UXHICEINSA-N 385.423 3.910 0 40 GHAB CCc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1 22361633 QWOXVKNPATVXSE-KRWDZBQOSA-N 388.533 3.509 0 40 GHAB COC(=O)c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc(C(=O)OC)c1 22396545 SZZOYQXHVMWCNY-UHFFFAOYSA-N 397.358 3.911 0 40 GHAB CCOc1ccc(OS(=O)(=O)c2ccc(OC)c(Br)c2)cc1 22453704 UQPXERGJYLQLLU-UHFFFAOYSA-N 387.251 3.624 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc2nc(C)c(C)nc2c1 23080766 GLWXXFBSIJAGHL-UHFFFAOYSA-N 377.444 3.680 0 40 GHAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)Cn1nc(-c2cccs2)oc1=O 24971644 KTUZABRIZGHINU-HNNXBMFYSA-N 388.489 3.611 0 40 GHAB CC(C)c1ccc(C(=O)N2CCN(Cn3ncn(C(C)C)c3=S)CC2)cc1 25475271 MLGGWSULDNGYNM-UHFFFAOYSA-N 387.553 3.534 0 40 GHAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1csc(-c2ccsc2)n1 30540473 RETKXRPZDYWHJM-KRWDZBQOSA-N 399.541 3.675 0 40 GHAB O=C(Nc1ccc(Cl)c(Cl)c1)C1=C(c2ccccc2)S(=O)(=O)CCO1 32070239 GSFHAQBGOSSXND-UHFFFAOYSA-N 398.267 3.746 0 40 GHAB O=S(=O)(c1ccc(F)cc1Cl)N(Cc1cccs1)C[C@@H]1CCCO1 32759171 UJHGBHGZOKVHPO-ZDUSSCGKSA-N 389.901 3.911 0 40 GHAB C[C@H](NC(=O)[C@H]1CCCN(c2cnccn2)C1)c1ccc(Cl)cc1Cl 32777433 VZCARCFKCDHGKV-STQMWFEESA-N 379.291 3.877 0 40 GHAB CC[C@@H](C(=O)N[C@H]1CCOc2ccccc21)n1nnc(-c2ccc(Cl)cc2)n1 32808715 INJUJKFPAGJZQY-IRXDYDNUSA-N 397.866 3.585 0 40 GHAB Cc1cc(C)c2cc(C(=O)O[C@H](C)C(=O)c3ccc4c(c3)NC(=O)CO4)[nH]c2c1 32853984 GBQDDSOUVORVPS-CYBMUJFWSA-N 392.411 3.544 0 40 GHAB CC[C@@H](C)c1ccc([C@@H](NC(=O)Cn2cccnc2=O)c2cccs2)cc1 32948231 IIBWBHNTQDHCSA-FOIQADDNSA-N 381.501 3.724 0 40 GHAB O=C(COc1cccc(-c2noc(-c3ccco3)n2)c1)NCc1ccccc1 33327432 PZUTYURWALAIGD-UHFFFAOYSA-N 375.384 3.692 0 40 GHAB O=c1nc2n(c3[nH]ncc13)[C@@H](c1ccccc1)[C@@H](Sc1ccccc1)CS2 35682024 JEGQPVLJDSGCKY-IRXDYDNUSA-N 392.509 3.976 0 40 GHAB CC(C)CCC[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 36745062 KFYFTHKYGNWVPT-HXOBKFHXSA-N 399.535 3.707 0 40 GHAB COc1ccc(CCNC(=O)C2CCN(Cc3ccccc3C)CC2)cc1OC 39772779 OTFDUSVILLVLFM-UHFFFAOYSA-N 396.531 3.583 0 40 GHAB C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)c1ncnc2c1cnn2C 40067584 FDXLDTNHYRICHI-OAHLLOKOSA-N 383.459 3.900 0 40 GHAB CSc1nccn1-c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 40135712 ZPYILUHOROLARM-IBGZPJMESA-N 392.528 3.599 0 40 GHAB CCOc1ccc2[nH]c(SCC(=O)Nc3nnc(SCC)s3)nc2c1 40487548 VIUJACVRGTZVQB-UHFFFAOYSA-N 395.535 3.656 0 40 GHAB CCN(C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O)C1CCCC1 45487801 LXSPYKCNYRRIHH-UHFFFAOYSA-N 393.409 3.964 0 40 GHAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCN(CCCO)C3 54313710 RBYNJHDUQMHPHK-UHFFFAOYSA-N 385.847 3.956 0 40 GHAB CC[C@H](NC(=O)c1cc2ccccc2n1C)c1ccccc1OCC(=O)N(C)C 55598990 WJIDXPSXXTWVHX-SFHVURJKSA-N 393.487 3.526 0 40 GHAB CCOC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)C1 56853787 QVOMNRHCXYZMOW-CHWSQXEVSA-N 387.402 3.687 0 40 GHAB O=C(CSCCCSCC(=O)NC1CCCCC1)NC1CCCCC1 59483629 DMNOSZADFJWCAN-UHFFFAOYSA-N 386.627 3.741 0 40 GHAB COc1cccc(Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)c1 67258047 RGSUDLSYNNJUKN-UHFFFAOYSA-N 378.453 3.579 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCCCCC4)ccn3n2)cc1C 67262254 VBEYLALPZGQDCT-UHFFFAOYSA-N 392.503 3.573 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCCN2C(=O)c2nccn2C)n1 72384417 SJSFWHSYEDTRCA-INIZCTEOSA-N 395.438 3.817 0 40 GHAB COc1cccc(CN2Cc3cc(OC)ccc3O[C@@]3(CCCN(C)CC3)C2)c1 72394505 KMBFMFGVRBBFAF-XMMPIXPASA-N 396.531 3.953 0 40 GHAB CCc1ccc2cc(CNc3ccc(N4CCC[C@@H](O)C4)cc3)c(=O)[nH]c2c1 72396154 SMOYCHBHFDNZHW-OAQYLSRUSA-N 377.488 3.664 0 40 GHAB Cc1cc(C)n(-c2ncc(NC(=O)c3sc(-c4ccccc4)nc3C)cn2)n1 77100027 XGPBXTWAIHVHJO-UHFFFAOYSA-N 390.472 3.963 0 40 GHAB COC(=O)Cn1c(=O)sc2c(C3CCCCC3)c3cnn(C(C)C)c3nc21 79484836 RXACQZYFRMRQDG-UHFFFAOYSA-N 388.493 3.609 0 40 GHAB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccn(C)c(=O)c2)c2ccc(C)cc2)cc1 84148631 PEODERBURINQOL-QFIPXVFZSA-N 375.424 3.783 0 40 GHAB O=C(/C=C\c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1 90615120 KPBNHDGDUADAGP-QXMHVHEDSA-N 391.515 3.934 0 40 GHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1n[nH]c([C@@H]2CCCO2)n1 95473612 ZMDPPCKYOOVKGD-LBPRGKRZSA-N 389.868 3.994 0 40 GHAB COc1cccc([C@H](CNC(=O)N[C@H](C2CCCC2)C(F)(F)F)N(C)C)c1 95942324 PTZHQACVTIICRH-DLBZAZTESA-N 387.446 3.718 0 40 GHAB Cc1csc([C@@H](OC(=O)[C@H]2CCCN(CC(F)(F)F)C2)C(F)(F)F)n1 95964223 LXUKFEISJPLYLY-VHSXEESVSA-N 390.349 3.872 0 40 GHAB CCCn1cnc(-c2nc(C(=O)NCc3ccc(F)cc3F)c3ccccn23)c1 96037975 TUNNQRANXPKKQK-UHFFFAOYSA-N 395.413 3.816 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)cc1F 96225203 UYDVRMGPSPPCOW-JOCHJYFZSA-N 395.434 3.524 0 40 GHAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(OC(F)(F)Cl)cc3)C2=O)cc1 100099215 VBRQSSDZXCCVRA-OAHLLOKOSA-N 396.777 3.607 0 40 GHAB COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)Nc2ccc(OC)cc2)cc1 100519917 JSRSHQJCNXRJKF-LATRNWQMSA-N 392.455 3.719 0 40 GHAB Cc1c(O)ccc2c(COC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc(=O)oc12 104176404 QRCSJHNQGKIIJZ-KKQCZIFWSA-N 398.455 3.572 0 40 GHAB CCc1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 218954710 GQRLDZMNZMOGER-UHFFFAOYSA-N 392.421 3.995 0 40 GHAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 222918461 QRYMCMBFVIHGIJ-CQSZACIVSA-N 393.314 3.742 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 223994541 RHQWOWSNRODWMD-UXHICEINSA-N 391.500 3.556 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 225380526 SFKNMLXJIHBNDI-OAHLLOKOSA-N 390.936 3.986 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1 225454613 YZMHSMSIHXUYHS-PMACEKPBSA-N 396.531 3.748 0 40 GHAB CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 225708506 OAXCNNCUHMFCIX-UHFFFAOYSA-N 390.486 3.647 0 40 GHAB CC1=NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2N1CC(C)C 225867687 DCPOJQNEMHMJCU-UHFFFAOYSA-N 385.489 3.546 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c1 225921644 PGVOJEJGUCBZCS-GOSISDBHSA-N 386.517 3.651 0 40 GHAB COc1ccc(NC(=S)NC(=O)CC(C)C)cc1-c1ccc(C(=O)O)o1 226351273 KWWXTVGUIUEUMX-UHFFFAOYSA-N 376.434 3.513 0 40 GHAB CCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2c3c(cccc13)CC2 226861069 VKKRKRUWCDSWDG-UHFFFAOYSA-N 381.453 3.852 0 40 GHAB COc1ccc(C[C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccnc(C)n2)cc1 247967188 RCPXHLIOHZPTAJ-ZRBLBEILSA-N 381.520 3.532 0 40 GHAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)c1ccc(OC(F)(F)F)cc1 253472261 KXZZNRRQKDMSPU-QGZVFWFLSA-N 397.374 3.906 0 40 GHAB COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4cnccn4)C3)c2)c1 257250282 JLXFJXMUXRQHEL-MRXNPFEDSA-N 389.459 3.562 0 40 GHAB Cc1ccc(C(=O)N2CC[C@H](Cc3cccc(-c4c(C)noc4C)n3)C2)cn1 257256406 KLJCZBIGZPUESS-QGZVFWFLSA-N 376.460 3.762 0 40 GHAB CN1CCN(C(=O)C2CCCCC2)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 257314850 UYTVWEQGDXXFRV-QFIPXVFZSA-N 391.515 3.541 0 40 GHAB CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 408708602 RCGQYFLDUAIMIT-MRXNPFEDSA-N 390.405 3.937 0 40 GHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408709813 XGUWOARHJFIEJY-MRXNPFEDSA-N 387.524 3.630 0 40 GHAB C[C@H](CC(=O)NCc1ccc(C(=O)N=c2cc[nH]cc2)cc1)C1CCCCC1 511756014 RHWCGKBEHRZPHU-QGZVFWFLSA-N 379.504 3.979 0 40 GHAB O=C(NCc1ccccc1Oc1cccc(F)c1)c1ccccc1-n1cnnn1 519402378 KEQOAFIRTFEPNB-UHFFFAOYSA-N 389.390 3.524 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3cn(C)nc3[C@H]3CCCNC3)n2)c(C)c1 565357528 KPPKYNPUWMPREU-HNNXBMFYSA-N 395.532 3.880 0 40 GHAB O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 574648302 YGBSUBBLTAGFQX-UWJYYQICSA-N 398.438 3.928 0 40 GHAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 575620601 LGCSQWHZPYBWBL-LBPRGKRZSA-N 384.910 3.729 0 40 GHAB O=C(Cc1ccccc1Cl)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111293 MYPCTBGXMNJYCS-HXUWFJFHSA-N 395.890 3.558 0 40 GHAB C[C@H](CNC(=O)c1ccc(N2CCOCC2)c(F)c1)Oc1cccc(Cl)c1 607879188 GVDIBQOKLKNYAW-CQSZACIVSA-N 392.858 3.513 0 40 GHAB O=C(Cc1cscn1)N(C[C@H]1CCCO1)c1ccc(Br)cc1 622789010 YMXWAJUJRPULQJ-OAHLLOKOSA-N 381.295 3.660 0 40 GHAB CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)NCC3)c2cc(F)ccc2O1 650043364 ZAMAMAOZUBDLCS-QGZVFWFLSA-N 383.423 3.536 0 40 GHAB CN(C(=O)c1ccc2c(n1)OCCO2)[C@@H](c1ccc(Cl)cc1)C(F)(F)F 653693997 VLFVIGABOXCKKX-AWEZNQCLSA-N 386.757 3.882 0 40 GHAB O=C(O)CCc1cccc(NC(=O)c2c(C(F)(F)F)nc3n2CCCC3)c1 663026600 PBOMIRSLKVNBAX-UHFFFAOYSA-N 381.354 3.508 0 40 GHAB Cc1ccc(CC2CN(C(=O)Nc3ccc(C)c(N4CCNC4=O)c3)C2)cc1 666917847 FKQVNLRLFKHYOR-UHFFFAOYSA-N 378.476 3.539 0 40 GHAB CN(CC1CCN(C(=O)c2ccncc2F)CC1)c1cc(C(F)(F)F)ccn1 1888853729 ZMGIETYUWKSJTB-UHFFFAOYSA-N 396.388 3.623 0 40 GHAB COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 627652 CBZQLWBOIFBSOQ-IAGOWNOFSA-N 394.427 3.553 0 40 GHAB COC(=O)c1c(NC(=O)CSc2nc(C)cc(C)n2)sc2c1CCCC2 873393 LQXPXFLOVDHSJT-UHFFFAOYSA-N 391.518 3.551 0 40 GHAB Cc1cccc2cc(CN(C(=S)NC[C@@H]3CCCO3)C3CCCC3)c(=O)[nH]c12 907819 RYMAWHGVDMZGIJ-IBGZPJMESA-N 399.560 3.635 0 40 GHAB CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1048420 JRUUICPWNFLVPA-UHFFFAOYSA-N 389.374 3.670 0 40 GHAB C[C@H]1CCc2c(sc3nc(SCC(=O)N4CCCC[C@H]4C)[nH]c(=O)c23)C1 1368071 MGFJCJMAVFTRFN-NWDGAFQWSA-N 391.562 3.603 0 40 GHAB COC(=O)c1ccccc1N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl 1446739 RDWIXJORBBBXGM-LBPRGKRZSA-N 381.687 3.744 0 40 GHAB O=C(CCCN1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O)c1ccccc1 1640722 VWYWMPRTQFQUFD-UHFFFAOYSA-N 392.455 3.668 0 40 GHAB O=C(O)CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 2330818 XGMQENGSCBOLDI-SFQUDFHCSA-N 383.425 3.777 0 40 GHAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccn3)CC2)cc1 3415826 KSHQCACNMBWYHS-HSZRJFAPSA-N 386.499 3.892 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 3501868 SCQNDTZEMRAEAS-CQSZACIVSA-N 399.491 3.591 0 40 GHAB COC(=O)c1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1 4554103 OWUQDERAXHSTTC-KRWDZBQOSA-N 385.489 3.730 0 40 GHAB COc1ccc(OC)c([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)c1 4909310 BAJDMQOQGUUMBY-LJQANCHMSA-N 383.835 3.922 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CCCCCC2)cc1 5443406 XINPYEAVCWUVSU-UHFFFAOYSA-N 386.517 3.964 0 40 GHAB O=c1c2ccccc2nnn1CSc1nn(-c2ccccc2)c(=S)s1 6543730 SRKDDYYJNBFZML-UHFFFAOYSA-N 385.499 3.518 0 40 GHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)c2ccc(C)c(C)c2)cc1 6586017 RLLSAEJOTKKXPV-UYAOXDASSA-N 394.500 3.854 0 40 GHAB COc1ccc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 7132715 AXFHMGVEERSHGF-UHFFFAOYSA-N 376.909 3.790 0 40 GHAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CS2 7306439 FHJYCCGYFYVRRF-SMDDNHRTSA-N 378.803 3.751 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1cc(-c2ccco2)on1 7316026 BREZTJYBUQWAHF-GOSISDBHSA-N 378.384 3.942 0 40 GHAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 7882032 YKBZGBHPNIDTGK-NSHDSACASA-N 379.243 3.994 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)c(C)c1 7928012 HNPVPZXOSFYECU-SFHVURJKSA-N 394.471 3.860 0 40 GHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c(C)c1 8041676 XUIQZVZTGMMCHT-QZTJIDSGSA-N 396.487 3.618 0 40 GHAB Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)Nc1ccc(Cl)cc1 8414624 WTFPQPJKLKHAIL-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)Nc1ccccc1C(F)(F)F 9038994 OMXVFOAIRBFJOJ-CYBMUJFWSA-N 377.366 3.880 0 40 GHAB COc1ccc(CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1F 9883083 DRBYKKOHEPYGQL-JOCHJYFZSA-N 378.403 3.955 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3scnc3c2)cc1 10217411 HLNYMTFHOKWHBH-UHFFFAOYSA-N 389.502 3.579 0 40 GHAB CCn1/c(=N\C(=O)c2ccc(OC(C)C)cc2)sc2cc3c(cc21)OCO3 12080601 MWEVGTGZJQSFNJ-QZQOTICOSA-N 384.457 3.980 0 40 GHAB COc1ccc(CN2CCC[C@H]([C@@H](NC(C)=O)c3nccs3)C2)c(C)c1C 12365813 WSDOETBFBXMGLM-AZUAARDMSA-N 387.549 3.858 0 40 GHAB C[C@@H](Sc1ncc2ccccn12)C(=O)N1c2ccccc2NC(=O)C1(C)C 12540710 LRSCMAFQHAJSGG-CYBMUJFWSA-N 380.473 3.579 0 40 GHAB CC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O 12794905 CLHHYZCNWFGPPL-LLVKDONJSA-N 382.869 3.831 0 40 GHAB O=c1c2ccc(Cl)cc2ncn1C[C@@H](O)COc1ccc(Cl)cc1Cl 12877553 LPDRCRAEHWSTKD-GFCCVEGCSA-N 399.661 3.797 0 40 GHAB O=C1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c2ccccc2N1 12993879 OWWZHIMODUWTJK-UHFFFAOYSA-N 395.422 3.533 0 40 GHAB CC(=O)c1ccc(NC(=O)CCN2c3cccc4cccc(c34)S2(=O)=O)cc1 13007283 MLYKMUFBGDIRTK-UHFFFAOYSA-N 394.452 3.580 0 40 GHAB O=C(NCCCn1nc(-c2ccco2)ccc1=O)c1ccc(-c2ccccc2)cc1 13797616 QGKCRTPLFWIBIC-UHFFFAOYSA-N 399.450 3.990 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3ccc(F)cc3F)n2)cc1 13801278 SMTHOZWTYDZOJI-UHFFFAOYSA-N 398.413 3.709 0 40 GHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1ccc2c(c1)OC(F)(F)O2 14198800 XGPQOAQAQWKFBB-UHFFFAOYSA-N 396.400 3.629 0 40 GHAB CCN(CC)CCn1/c(=N/C(=O)[C@H](C)Oc2ccc(C)cc2)[nH]c2ccccc21 14651254 MTMJETBFDPQVPG-SFHVURJKSA-N 394.519 3.514 0 40 GHAB C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cccc2ccccc12 15741517 PFXCDXUFSYTMEK-LBPRGKRZSA-N 388.876 3.632 0 40 GHAB CC(C)(C)c1ccc(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)cc1 16661314 QHPKUULIFZOKFI-LJQANCHMSA-N 386.511 3.685 0 40 GHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(C)n1C(C)C 16695198 OZQZWBYWQGZLAK-OAHLLOKOSA-N 397.475 3.607 0 40 GHAB CCCC(=O)N1N=C(c2cccc(OC)c2)Sc2c1ncn2C(=O)CCC 16806990 WWTSFAUFSNPGJQ-UHFFFAOYSA-N 386.477 3.933 0 40 GHAB CN(Cc1ccccc1Cl)C(=O)C1CCN(C(=O)c2cccs2)CC1 17918189 CKBPOTMEHIVXGJ-UHFFFAOYSA-N 376.909 3.912 0 40 GHAB Cc1cc(C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)on1 17992582 VQIFBKIOIJTNNK-KRWDZBQOSA-N 378.428 3.757 0 40 GHAB Cc1cc2c(CN3CCCC[C@H]3C)c(C(F)(F)F)nc-2n(CC(=O)N(C)C)c1 19124793 RDBKDHUSCUWMNI-CQSZACIVSA-N 396.457 3.778 0 40 GHAB COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 19134236 HZVBUBGZSFGYOM-GOSISDBHSA-N 392.459 3.531 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)COc3cc(C)nc4ccc(C)cc34)ccc21 19220604 FQUAKMHJAXGSSA-UHFFFAOYSA-N 389.455 3.778 0 40 GHAB C[C@@H](C(=O)N1CCC(n2nc(-c3cccs3)oc2=O)CC1)c1ccccc1 19459118 RZGYNDRRFIGHAP-CQSZACIVSA-N 383.473 3.532 0 40 GHAB COc1cccc(-c2cc(C(=O)N3CCCC[C@H]3CCN3CCCC3)[nH]n2)c1 19566578 RCWMXLRHWCWDMK-SFHVURJKSA-N 382.508 3.566 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nnc2c3ccccc3nc(-c3ccccc3)n12 19625764 POPLGWJNROYDAI-CQSZACIVSA-N 391.500 3.951 0 40 GHAB Cc1cn2c(=O)c(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)cnc2s1 19717069 HGKFHXYNRKDHGV-CQSZACIVSA-N 396.516 3.691 0 40 GHAB CCn1ncc(-c2cc(C(=O)NCCc3ccc(C(F)(F)F)cc3)on2)c1C 19719058 VAXOYCMGNXUSJV-UHFFFAOYSA-N 392.381 3.858 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(Cc2ccsc2)CC1 22933518 XHZKGQNXIGXIRX-OAHLLOKOSA-N 377.941 3.855 0 40 GHAB Cc1ccc(OCCNC(=O)c2ccccc2OCc2c(C)noc2C)cc1 23038816 BHRPHLWUKLBNPD-UHFFFAOYSA-N 380.444 3.988 0 40 GHAB CCOc1ccc(Nc2ncccc2C(=O)Nc2ccc(N(C)C)nc2)cc1 24148957 VBDCMZUJNRVVNK-UHFFFAOYSA-N 377.448 3.937 0 40 GHAB Cc1cccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)c1C 24768437 ZZFGKFNJWQTMAO-HSZRJFAPSA-N 391.471 3.629 0 40 GHAB CSc1ccc(N2C[C@@H](C(=O)N(Cc3ccccc3)C3CC3)CC2=O)cc1 24970048 AJWTZRKGDJNXFF-KRWDZBQOSA-N 380.513 3.953 0 40 GHAB Cc1c(C(=O)Nc2ccccc2N2CCCC2=O)cnn1-c1ccccc1F 26263549 CCQKZDKCACCJLN-UHFFFAOYSA-N 378.407 3.699 0 40 GHAB COCCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 27460259 CLLUZYOVRHMQRA-GOSISDBHSA-N 399.830 3.647 0 40 GHAB CCn1ncc(Br)c1C(=O)Nc1ccc(C)cc1Br 28223763 SDNITMBGAXXHAU-UHFFFAOYSA-N 387.075 3.989 0 40 GHAB C[C@@H]1CN(c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cn2)C[C@@H](C)O1 30018763 IWRRHVCIPXUYMM-HZPDHXFCSA-N 383.467 3.639 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)c(Cl)c1 31470018 HFSLWFMSZQQXSE-OAQYLSRUSA-N 397.862 3.586 0 40 GHAB Cn1cnnc1[C@H]1CCCN(c2nc(-c3ccsc3)nc3ccccc23)C1 31653320 WYCSQUXFKTVMPO-AWEZNQCLSA-N 376.489 3.871 0 40 GHAB O=C([C@H]1COc2ccccc2O1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 32594234 MBCURHADQURWIL-YLJYHZDGSA-N 387.863 3.688 0 40 GHAB Cc1ccc(C(=O)[C@H](C)OC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1C 32910804 HNHYKMCHPNKOOP-INIZCTEOSA-N 378.428 3.601 0 40 GHAB CCOC(=O)COc1cccc(NC(=O)c2ccc(Br)cc2)c1 33188349 IUHHZEATQGJVSS-UHFFFAOYSA-N 378.222 3.643 0 40 GHAB COc1ccccc1CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C)c(C)c1 36392164 YBHFCQITCQSLGW-IBGZPJMESA-N 389.517 3.682 0 40 GHAB CC(=O)CCc1ccc(OC[C@@H](O)CN[C@@H]2CCSc3ccccc32)cc1 39976567 KDOLEGOURWCPND-GHTZIAJQSA-N 385.529 3.775 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H](C)c2ccc(F)cc2)cs1 40129672 ISAQIUBYSOAGDQ-LLVKDONJSA-N 387.436 3.856 0 40 GHAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2F)c2ccccc2O1 40131736 BPPJMEYDKZXFQW-NRFANRHFSA-N 390.414 3.647 0 40 GHAB COc1ccc(-c2ccc(=O)n(Cc3ccc(Br)cc3F)n2)cc1 40268652 NHDVHSWAYBKWHF-UHFFFAOYSA-N 389.224 3.869 0 40 GHAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(OC)cc1OC 41077008 FGLKAFMFBSWXQV-UHFFFAOYSA-N 381.432 3.599 0 40 GHAB CCc1c(C(=O)NCc2cccnc2)cnn1-c1ccc(Br)cc1 42195836 DLTZNQPXPYWLAT-UHFFFAOYSA-N 385.265 3.522 0 40 GHAB COCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078765 PZYKSLVSIXLQCF-UHFFFAOYSA-N 386.879 3.699 0 40 GHAB COc1ccc(OCCNC(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1 46688537 CLKSDLMPVMGGRX-UHFFFAOYSA-N 385.851 3.652 0 40 GHAB C[C@H](c1ccccc1)n1cnnc1S[C@H](C(=O)NC1CC1)c1ccccc1 48355993 LLEDYSMDXZOKJD-BEFAXECRSA-N 378.501 3.999 0 40 GHAB CCN1C(=O)[C@]2(SCC(=O)N2c2ccc(F)c(Cl)c2)c2ccccc21 55174915 FSOZGHKYGHAKKO-GOSISDBHSA-N 376.840 3.778 0 40 GHAB CCOc1cccc(NS(=O)(=O)c2cc(Br)ccc2OC)c1 55652113 JQGGVYDHBOOBMO-UHFFFAOYSA-N 386.267 3.657 0 40 GHAB CCOc1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)cc1OCC 57895837 LUJGCTFDBIHRDS-UHFFFAOYSA-N 394.475 3.547 0 40 GHAB CCOC(=O)CCN(Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S)C1CC1 57995736 IWUZGOBBNTXEHM-UHFFFAOYSA-N 394.928 3.647 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H](C)NCc2ccccc2CN2CCCC2)cc1 58160633 XJMYYPWIYJOLRX-QGZVFWFLSA-N 379.504 3.602 0 40 GHAB COC(=O)c1cc2ccccc2cc1NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 58356905 UAWJRULKAKINSR-FQEVSTJZSA-N 392.386 3.897 0 40 GHAB CCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C 67209009 PXTVCTWDUQJMLZ-UHFFFAOYSA-N 387.530 3.716 0 40 GHAB Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)c1 71327115 PZJREDATGOOURP-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB O=C(COC(=O)c1ccc2ccccc2n1)NCc1ccccc1C(F)(F)F 72328264 TUCNUFZLCYAMIB-UHFFFAOYSA-N 388.345 3.727 0 40 GHAB COc1ccccc1Cc1cccc([C@@H]2CCCN2CC(=O)N2CCCCC2)n1 72357627 GNVHLCNOQACGNR-QFIPXVFZSA-N 393.531 3.830 0 40 GHAB CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cnn(C)c2)CC1 72404143 PDXIBFNEIYICGG-GZNCHQMQSA-N 396.535 3.549 0 40 GHAB CCCc1nnsc1C(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200222 JVOKYIZUPOIMFC-LSDHHAIUSA-N 388.493 3.780 0 40 GHAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@H](C)CNc1ccccc1 79110572 GSDILGFXESXVPG-QGZVFWFLSA-N 380.492 3.853 0 40 GHAB O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)c1 84613378 YWQYKNLPSIFIBB-HNNXBMFYSA-N 379.794 3.647 0 40 GHAB CC1=C(C(=O)N2CCCCCC2)[C@@H](c2ccc(OC(C)C)cc2)NC(=S)N1 84677726 UNOBWTCCLWFLGQ-LJQANCHMSA-N 387.549 3.669 0 40 GHAB CCCc1nnsc1C(=O)NCc1ccc(C(=O)c2cccs2)s1 90610565 MRGTVLMXMKHLDE-UHFFFAOYSA-N 377.516 3.775 0 40 GHAB O=C1[C@@H](Cc2nc3ccccc3o2)n2nc(-c3ccccc3)nc2[C@H]2CCCN12 95459211 FDZMCLWHEALDDU-IAGOWNOFSA-N 385.427 3.547 0 40 GHAB O=C(Cc1cccc2ccccc12)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96099532 JVELNVACBMBBCI-UHFFFAOYSA-N 397.496 3.581 0 40 GHAB Cc1cc(C)cc(CN2CCC3(CC2)C[C@@H](NC(=O)c2cccs2)CO3)c1 96221239 SAFLOEUMZCFTCY-LJQANCHMSA-N 384.545 3.918 0 40 GHAB O=C1N/C(=C\c2ccc(O)c(Br)c2)C(=O)N1c1cccc(Cl)c1 100327305 GLHJUXUBMHUYEG-QPEQYQDCSA-N 393.624 3.905 0 40 GHAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1Sc1ccccc1 102362346 JEZGPKYSAIQVLN-IRXDYDNUSA-N 392.480 3.728 0 40 GHAB O=C(Cc1c(F)cccc1Cl)NC[C@@](O)(c1ccccc1)C(F)(F)F 171393626 PIPJFPULGXYSGJ-MRXNPFEDSA-N 375.749 3.588 0 40 GHAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 222776429 UDLYCAOITBCRNT-LBPRGKRZSA-N 397.277 3.838 0 40 GHAB CCN(c1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1)S(=O)(=O)CC 223610331 JCWJCWIPFIMLNV-UHFFFAOYSA-N 388.533 3.614 0 40 GHAB CCCC[C@H](CC)CNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223678608 AEASMRFESKGSEI-HNNXBMFYSA-N 388.961 3.747 0 40 GHAB COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccc(Cl)cc1 224155524 KNMITQXEDMOCHC-SFHVURJKSA-N 375.852 3.836 0 40 GHAB CC[C@H](C(=O)NCC1=CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 224300207 RJGRLWMKWQZXSQ-QGZVFWFLSA-N 384.929 3.501 0 40 GHAB COc1cccc2cc(C(=O)Nc3cnc4cc(C(F)(F)F)nn4c3)oc12 225570947 NJSCMSIHVKFZBC-UHFFFAOYSA-N 376.294 3.755 0 40 GHAB CCn1c(=O)sc2cc(S(=O)(=O)N(C)Cc3ccc(Cl)cc3)ccc21 225698944 XWQASQDSGUBNFX-UHFFFAOYSA-N 396.921 3.557 0 40 GHAB COc1ccc(NC(=S)NCc2nc(-c3ccccc3C)no2)cc1OC 225828478 FYCYUXWZOUOTPQ-UHFFFAOYSA-N 384.461 3.549 0 40 GHAB CC(C)Oc1ccc(N2C[C@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1 244272078 WOYUIIIRARSHHK-MRXNPFEDSA-N 386.879 3.797 0 40 GHAB CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C(=O)c1ccc(C)nc1 257304675 SMRFTHQRFHORFL-FDFHNCONSA-N 377.488 3.747 0 40 GHAB O=C(c1ccc(O)nc1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257318207 VMYTVWVJRYOKPC-INIZCTEOSA-N 381.407 3.525 0 40 GHAB COc1cc(C(=S)N2CCN(C)CC2)cc(Cl)c1OCc1ccccc1 408571598 BUUIJRPRQQAWNK-UHFFFAOYSA-N 390.936 3.851 0 40 GHAB COC(=O)CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N1 408986692 CYOSJJKUBRHMNN-IBGZPJMESA-N 395.484 3.506 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1cc2ccccc2n(C)c1=O 553282236 VNZDHPRCNAFVFE-PBEJRMEISA-N 384.520 3.632 0 40 GHAB Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)COc1cc(F)cc(F)c1 562195927 FPLDOHLFEOWUQK-UHFFFAOYSA-N 379.313 3.661 0 40 GHAB Cc1nc(-c2ccccc2NC(=O)N2CC[S@](=O)C(C)(C)CC2)cs1 563120526 ITPFRECFGXRFKT-VWLOTQADSA-N 377.535 3.883 0 40 GHAB CCCOc1c(Cl)cc(C(=O)N2CC[C@H](OC(F)F)C2)cc1OCC 585080609 KHKBMHGEPSEGBQ-LBPRGKRZSA-N 377.815 3.981 0 40 GHAB Cn1ncc(C2CC2)c1C(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 612848667 HRMLMWPQPKTDMG-UHFFFAOYSA-N 398.510 3.825 0 40 GHAB Cn1cc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2C(F)(F)F)ccc1=O 620502801 YTBUSHHEGWOXJX-IBGZPJMESA-N 378.394 3.642 0 40 GHAB CCCCC1CCC(c2cc(NC(=O)c3cccnc3OCCO)n[nH]2)CC1 1583082575 JVEMLKRBMUYDTD-UHFFFAOYSA-N 386.496 3.892 0 40 GHAB CCCNC(=O)C1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 42685476 BUHYDVAXCFGDMN-GFCCVEGCSA-N 386.323 3.559 0 40 GHAB Cc1nn(CN(C)Cc2cc(Br)cs2)c(=O)c2ccccc12 54517082 OUTLBDMYIGWWBO-UHFFFAOYSA-N 378.295 3.618 0 40 GHAB CCOC(=O)c1cnn(-c2nc(C)nc3sc(-c4ccccc4)cc23)c1N 1014178 WQWPURLUXZQJCM-UHFFFAOYSA-N 379.445 3.611 0 40 GHAB CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-n2cccn2)cc1 78805945 XNZYYBGAERXGBM-KRWDZBQOSA-N 386.496 3.542 0 40 GHAB CC(=O)NCCC(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 24645282 YLCHPMKBMFGCLO-UHFFFAOYSA-N 381.476 3.701 0 40 GHAB Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)C(=S)Nc3ccccc3)cc2c1 4127485 YXMAMHLAQOULEZ-UHFFFAOYSA-N 395.528 3.726 0 40 GHAB CCCc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1-n1cccc1 4518562 MMZLQBVTKCEXNA-UHFFFAOYSA-N 393.875 3.867 0 40 GHAB CC(C)c1nccn1-c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 4629442 LGCVTXYKZRCUDS-UHFFFAOYSA-N 399.472 3.568 0 40 GHAB O=C(Cc1ccsc1)Nc1ccc(-c2cn3c4c(nnc3n2)CCCC4)cc1 4944038 YULIRDRYISSMPQ-UHFFFAOYSA-N 389.484 3.913 0 40 GHAB Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 6766728 LKNYLYSMJQMVBM-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB Cc1ccc(CNC(=O)[C@H](C)Sc2nnc(C)n2Cc2ccccc2)cc1 7362035 RQHFLPZJLJTVEU-INIZCTEOSA-N 380.517 3.740 0 40 GHAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)N1CCOCC1 25329489 PYLMYDSYZKUBKV-DNVCBOLYSA-N 392.421 3.897 0 40 GHAB Cc1ccc(C)c(-c2nn(CN3C[C@H](C)OC[C@H]3C)c(=O)c3ccccc23)c1 107489860 AKARJUDKGYSTBE-MSOLQXFVSA-N 377.488 3.747 0 40 GHAB Fc1cccc(-n2nnnc2SCc2nc(-c3cccc(Cl)c3)no2)c1 8271174 DQJWYMSHTIGHOV-UHFFFAOYSA-N 388.815 3.797 0 40 GHAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)c1 8414738 NTYXNSRULYAHIJ-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CC(C)c1ccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 26528255 PCKDGKTUZSXSFZ-UHFFFAOYSA-N 387.910 3.668 0 40 GHAB C[C@H](NCc1nc(CNC(=O)c2ccccc2)no1)C12CC3CC(CC(C3)C1)C2 58177875 WRIBVFFCKFBQJB-SCUMNGBJSA-N 394.519 3.694 0 40 GHAB O=C(OC/C=C/c1ccccc1)c1cccc(S(=O)(=O)NCc2ccco2)c1 9746418 PKUQGLYICCPRNS-WEVVVXLNSA-N 397.452 3.628 0 40 GHAB Cc1ccc(NC(SCc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9974225 RQESHCBLEMHGEI-UHFFFAOYSA-N 395.484 3.602 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccs3)o2)c1C 3280753 HJDGYVIMPYSMCW-UHFFFAOYSA-N 391.474 3.895 0 40 GHAB FC(F)(F)CN1CCCN(Cc2cc(Cl)c3c(c2)OCCCO3)CC1 58578356 BBOBMBFTPHIQCO-UHFFFAOYSA-N 378.822 3.571 0 40 GHAB CCc1ccc(Oc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 2362255 QWQDMKGZMIDPCH-UHFFFAOYSA-N 378.428 3.838 0 40 GHAB biogenic Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)s1 29761551 KNADQGKUSVGVNA-UHFFFAOYSA-N 377.425 3.597 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)Oc1ccc2c3c(c(=O)oc2c1)CCC3 2647125 UKJLYVLTUDZJAD-WEVVVXLNSA-N 376.364 3.629 0 40 GHAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccccc1Oc1ccccc1 12171779 YKUIPPYNXQCQHC-UHFFFAOYSA-N 389.455 3.641 0 40 GHAB COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(F)cc1 2703651 WMWSNMTUQCHLSK-IBGZPJMESA-N 381.403 3.741 0 40 GHAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)N1CCN(c2ccccc2)CC1 12325192 ZPDJOVHBZWGHIR-HXUWFJFHSA-N 395.528 3.671 0 40 GHAB CC1CCN(CC2CCN(Cn3c(=O)oc4ccc(Cl)cc43)CC2)CC1 48289232 HTBJPJUYTHIMBT-UHFFFAOYSA-N 377.916 3.649 0 40 GHAB CC(C)C[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1 12780184 PNKPJIGHSVKPOE-HXUWFJFHSA-N 378.472 3.853 0 40 GHAB Cc1cccc(N(Cc2ccc(C(=O)NCCC(C)C)cc2)S(C)(=O)=O)c1 10313860 FLMSNBSGKHLTNR-UHFFFAOYSA-N 388.533 3.737 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C)c3cccc(Cl)c3)ccc21 12796665 CACQGOTXDZJIPJ-ZDUSSCGKSA-N 392.908 3.679 0 40 GHAB CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 12742599 DUHISKSKCZKCKT-UHFFFAOYSA-N 384.910 3.565 0 40 GHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ncc(Br)s3)c12 27984998 BIEGFTLZJTYHGX-UHFFFAOYSA-N 392.282 3.625 0 40 GHAB COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118933583 UCCSDQHGWDGDPS-IBKOPVIMSA-N 378.553 3.786 0 40 GHAB CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1F 8867714 PJJFUJCTHGTUHV-LJQANCHMSA-N 381.403 3.904 0 40 GHAB Cc1ccc2c(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4)C3=O)cc(=O)oc2c1 3516559 GAIBSJRLTOLFAG-NRFANRHFSA-N 396.830 3.722 0 40 GHAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(F)c(Cl)c1 12921527 OSVROKIUDTWEAA-UHFFFAOYSA-N 395.906 3.532 0 40 GHAB CN1CCCN(C(=O)CCSc2ccccc2)c2nc3ccccc3nc21 12914587 NHFNCSZPEXPFTF-UHFFFAOYSA-N 378.501 3.985 0 40 GHAB CC(C)C(=O)N1CCN(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)CC1 12918491 ZMEWGCWNROONEI-JLHYYAGUSA-N 392.499 3.606 0 40 GHAB Cc1ccc(NC(=O)CCN2C(=O)COc3ccccc32)c(Br)c1 12994928 XVYOTDZMTNZUSO-UHFFFAOYSA-N 389.249 3.512 0 40 GHAB Cc1ccccc1CN(C)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12980627 HEOROFDUMOXPEU-UHFFFAOYSA-N 395.528 3.694 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCC[C@@H]2C)c1 13005644 NCORJLYDECOMNN-GUYCJALGSA-N 386.945 3.679 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(SCC)s2)c1C 13137361 PFGJDDLZBOHZRW-UHFFFAOYSA-N 385.536 3.747 0 40 GHAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccccc3Cl)C2)cc1 4173409 YAJNXKXTKWEJPZ-SFHVURJKSA-N 386.835 3.891 0 40 GHAB C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc2c(c1)OCCO2 6128585 IGULWJUSRTZGAV-NSHDSACASA-N 378.222 3.626 0 40 GHAB CC(=O)N1CCC(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 39979662 SYFHZAGTLXQCMU-UHFFFAOYSA-N 380.366 3.706 0 40 GHAB C[C@@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccc(-c2ccccc2)cc1 14388853 QXXVULUFEPQHJO-QGZVFWFLSA-N 386.451 3.956 0 40 GHAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1 14654575 XMMHFHFDQVHHAG-UHFFFAOYSA-N 394.496 3.780 0 40 GHAB COCCn1c(Cc2ccccc2)nnc1SCc1ccc(C(=O)OC)cc1 5861278 MIGOTYFQKAVDIB-UHFFFAOYSA-N 397.500 3.594 0 40 GHAB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 6911068 BJYIDBSLLQSPLW-UHFFFAOYSA-N 393.409 3.617 0 40 GHAB CCOc1ccc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1OCC 6975967 IRXNBLYVWGOBIW-UHFFFAOYSA-N 396.487 3.649 0 40 GHAB Cc1cc(=O)c(C(=O)N[C@H]2CCSc3ccccc32)nn1-c1ccccc1F 15610887 DNRQFUQRWBOGBD-INIZCTEOSA-N 395.459 3.647 0 40 GHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2CN(Cc3ccccc3F)C[C@H]21 306138558 SAVKSTMRTRPJMA-GHTZIAJQSA-N 383.444 3.841 0 40 GHAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(F)cc1 7639079 JHFWJGGWDIIAOD-UHFFFAOYSA-N 390.480 3.572 0 40 GHAB Cc1ccccc1OCc1nnc(S[C@H]2C[C@@H](C)OC2=O)n1-c1ccccc1 8191298 WTNVIXQJLWQSOW-QAPCUYQASA-N 395.484 3.951 0 40 GHAB Cc1cccc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)cn12 16993606 HEBUYWKGCFIESG-LBPRGKRZSA-N 391.349 3.846 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)[S@](=O)Cc2csc(-c3ccc(F)cc3)n2)no1 71801137 OLSAUCJNTPMUFM-QYOLQKOISA-N 393.465 3.522 0 40 GHAB COc1cccc(C(=O)Oc2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)c1 17976180 MDQMIORZDNAUOH-OALUTQOASA-N 379.412 3.594 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccn(COc3ccc(Br)cc3)n2)C1 27972968 ONORPRSSESZULK-KBPBESRZSA-N 392.297 3.800 0 40 GHAB CN(C)CCNc1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1 9622828 JIWWLDWTSMCKET-UHFFFAOYSA-N 391.454 3.672 0 40 GHAB Fc1ccc([C@H]2CN(Cn3nc(-c4cccs4)[nH]c3=S)CCO2)cc1 23057835 BCVBXTDJEHINFO-CQSZACIVSA-N 376.482 3.839 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2N1Cc1cccs1 306134712 NVTXRUCEZYFROX-WOJBJXKFSA-N 381.476 3.770 0 40 GHAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCN(Cc2ccc(Cl)s2)CC1 89774940 AENGTHJNJZCLRO-IAGOWNOFSA-N 378.900 3.989 0 40 GHAB CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 409411445 WYPULWCBXPQVAD-MRXNPFEDSA-N 388.533 3.913 0 40 GHAB COc1c2c(cc3c1OCO3)CCN(C)C(c1cc(=O)oc3cc(C)ccc13)=C2 79193260 ZXYUSDMMBHOIDW-UHFFFAOYSA-N 391.423 3.825 0 40 GHAB biogenic CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc2c(c1)OCO2 33658544 GXBNSFNQAHHWJA-LJQANCHMSA-N 396.468 3.688 0 40 GHAB COc1cccc(C(=O)N[C@@H](C)Cn2c(C(F)(F)F)cc3cccnc32)c1 72325149 QPQNDRIKSBXCNU-LBPRGKRZSA-N 377.366 3.882 0 40 GHAB Cc1ccc(-c2nc(NCCn3nccc3C)ncc2-c2cnccn2)s1 72340302 XHODZVQGFGNGSE-UHFFFAOYSA-N 377.477 3.588 0 40 GHAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc2oc(O)nc2c1 562180324 PBCOVYQPEDLSIF-KRWDZBQOSA-N 385.851 3.754 0 40 GHAB CCc1ccccc1NC(=O)Cn1ccc(=O)c2cc(Br)ccc21 225727520 HYDUNLQKIYIKPK-UHFFFAOYSA-N 385.261 3.965 0 40 GHAB CCN(CC)C(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224429875 IMJQZPVREVMYGU-UHFFFAOYSA-N 394.924 3.643 0 40 GHAB O=C(CSc1nccc(N2CCCC2)n1)Nc1ccc(Br)cc1 49399615 SXCVVYBFTHFKHU-UHFFFAOYSA-N 393.310 3.570 0 40 GHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1cccnc1 222726991 CXKDLIMLVUYCOE-UXHICEINSA-N 377.517 3.546 0 40 GHAB CCc1nn2c(ncc3c(=O)n([C@H](C)C(=O)O)ccc32)c1-c1ccc(Cl)cc1 40397481 NBQNCTCWINVWKI-LLVKDONJSA-N 396.834 3.573 0 40 GHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 223344290 DHKDGDYHXGMSBH-UHFFFAOYSA-N 387.244 3.548 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CN(C(=O)Nc2ccc(F)cc2)CC12CCOCC2 96078685 PCKWJKXGFHHWMD-LJQANCHMSA-N 397.450 3.725 0 40 GHAB C[C@]12CCCN(C(=O)c3cccc(Cc4ccccc4F)n3)[C@H]1CCCCN2 257228616 FUOUXCKXEDOXOQ-GMAHTHKFSA-N 381.495 3.948 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)CCc3ccccc3)C2)ncn1 257309161 TZURGOVTOCOZQG-LJQANCHMSA-N 390.487 3.772 0 40 GHAB Cc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)c3ccc(O)cc3)C2)n1 257262007 LJQRAOYFECMUAA-MRXNPFEDSA-N 377.444 3.764 0 40 GHAB Cc1cc(Cl)c2ccccc2c1NC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 666727131 XRXYUIVEJDXTTB-OLZOCXBDSA-N 380.897 3.889 0 40 GHAB COc1cc(NC(=O)N[C@@H]2CCCCc3cc(Br)ccc32)nn1C 666759621 NZAJALHHCBYBTR-CQSZACIVSA-N 393.285 3.780 0 40 GHAB Cc1ccnc(Nc2cccc(C(=O)Nc3ccccc3O[C@@H]3CCOC3)c2)n1 1622298557 LKMGWUJEXHRQJX-GOSISDBHSA-N 390.443 3.949 0 40 GHAB O[C@@H]1[C@@H](NCCc2ccc3c(c2)OCO3)CCC[C@H]1Oc1cccc(Cl)c1 585289790 NTXIHVCGUKVXTP-FBBABVLZSA-N 389.879 3.562 0 40 GHAB CC1(C(=O)N2CCc3[nH]nc(-c4cnn(CC5CC5)c4)c3CC2)CCCCC1 585110297 AVXDYOXMSTTWQS-UHFFFAOYSA-N 381.524 3.581 0 40 GHAB C[C@@H](NC(=O)Nc1cccnc1N1CCOCC1)c1ccc(C(F)(F)F)cc1 54480147 BLSZWDNYZJWWHT-CYBMUJFWSA-N 394.397 3.820 0 40 GHAB COc1ccc(CNC(=O)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 1083103389 RWTOEZMPPFKTFW-OHUMZHCVSA-N 395.547 3.800 0 40 GHAB C[C@@H]1CCC[C@@H](CNC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)C1 56817543 AQGOIKAJVMWIJQ-SJLPKXTDSA-N 389.515 3.690 0 40 GHAB Cc1cc(C)cc(C2=CCN(C(=O)N[C@@H](C)c3nnc4ccccn34)CC2)c1 94017567 HPALJWMLRURBKD-KRWDZBQOSA-N 375.476 3.906 0 40 GHAB COc1ncccc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615159053 SJHIZNDNYHLPQI-BEFAXECRSA-N 383.467 3.749 0 40 GHAB O=C1c2ccccc2C[C@H]1Sc1nnc(-c2ccccn2)c(-c2ccccn2)n1 5059583 PSXLKXQBBGSNDZ-GOSISDBHSA-N 397.463 3.895 0 40 GHAB COc1cccc(-c2nc(C(=O)N3CCOCC3)cc3c2[nH]c2ccccc23)c1 5960711 UYKIHJKXQMODHQ-UHFFFAOYSA-N 387.439 3.864 0 40 GHAB biogenic COc1ncc(CN2[C@@H]3CC[C@@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 12085325 DRDUKHPRXXCAAB-LESCRADOSA-N 393.409 3.936 0 40 GHAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccc5c(c4)OCO5)[C@H]3C=C12 12652967 QUZXPGDFWJMGHK-DATKDIIVSA-N 383.488 3.819 0 40 GHAB biogenic CSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1Cl 12930845 IUVCZJKGWUVVJK-UHFFFAOYSA-N 398.937 3.630 0 40 GHAB CCOc1cc2c(cc1CNC(=O)[C@@H]1Cc3cc(Cl)ccc3O1)O[C@H](C)C2 12936253 SNIZZUFNYLODEK-ODXCJYRJSA-N 387.863 3.682 0 40 GHAB CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715179 GAVLSYALEIHJJO-KRWDZBQOSA-N 378.469 3.626 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(Cl)c1C 14494984 CCNXYWILRIRDEH-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)c1 15935904 WGUOFGWSQCWWOU-GOSISDBHSA-N 383.448 3.647 0 40 GHAB Cc1c(C(=O)N2CCc3nc([C@H]4CCCN4C)ncc3C2)oc2c(C)cccc12 19236743 KUQQLRWNRYJDBW-LJQANCHMSA-N 390.487 3.805 0 40 GHAB COc1ccc(CCc2nnc(NC(=O)c3cn4ccc(C)cc4n3)s2)cc1 19238205 WFCWONGFABUUJM-UHFFFAOYSA-N 393.472 3.540 0 40 GHAB O=C(Cn1c(=O)oc2cc(Cl)ccc21)N[C@@H](c1ccccc1)c1cccnc1 19369562 VWLIDEDEZGNKRF-FQEVSTJZSA-N 393.830 3.549 0 40 GHAB C[C@H]1CCCN(CCC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)C1 19496557 VLSBJEDRSOHLOX-KRWDZBQOSA-N 380.536 3.645 0 40 GHAB CNc1cc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(-c2ccncc2)n1 19592268 YEFMXDPAGBTQIO-QGZVFWFLSA-N 391.450 3.739 0 40 GHAB C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]2(O)CCC(=O)O)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C 118927465 LHTVRHFTKRJEQF-HXCATZOESA-N 384.516 3.826 0 40 GHAB in-vitro NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C(=O)C2CCCCC2)C1 13266617 FMSHZPGDUXYRFT-OAHLLOKOSA-N 383.467 3.759 0 40 GHAB S=c1n(CN2CCCC2)nc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1 3362747 KUVGXKMVLGPUDF-OAHLLOKOSA-N 383.521 3.795 0 40 GHAB O=C1COC2(CCN(Cc3ccc4ccccc4n3)CC2)CN1c1ccccc1 1204500136 PUHJKTFFPLKQPE-UHFFFAOYSA-N 387.483 3.633 0 40 GHAB Cc1noc(CSc2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2)n1 25060605 VXQGBQCYBPFDRJ-QGZVFWFLSA-N 381.457 3.924 0 40 GHAB O=C(Nc1ccccc1F)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 5305006 LLOWKBRBWABOIB-UHFFFAOYSA-N 391.377 3.975 0 40 GHAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1 10253551 YBTBLIWFVJRRMA-UHFFFAOYSA-N 387.486 3.640 0 40 GHAB CCOc1ccc(C(=O)CSc2nccn(-c3cccc(F)c3)c2=O)cc1 12415270 HDBWIUQAXOCTNQ-UHFFFAOYSA-N 384.432 3.745 0 40 GHAB O=C(CCc1ccc[nH]1)N1CCc2sc(COCc3ccncc3)cc2C1 2055772604 BPNOOOZUWRMPDN-UHFFFAOYSA-N 381.501 3.706 0 40 GHAB CC(C)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 23181422 RWGLNYQBGNIIPC-JXFKEZNVSA-N 389.540 3.911 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(Cn2cnc3ccccc32)CC1 36708941 SNQOZEVPHMLTOD-UHFFFAOYSA-N 378.432 3.709 0 40 GHAB COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(C)c(C)c4)no3)n2)cc1 38652053 FSCUBQXBMKQSHI-UHFFFAOYSA-N 388.427 3.634 0 40 GHAB CN(C)[C@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1csc2ccccc12 575620044 IAGMKCWNANVKPZ-LJQANCHMSA-N 399.560 3.627 0 40 GHAB O=S(=O)(NCc1ccc([C@H](O)c2ccco2)s1)c1ccc(Cl)s1 206685789 XKAFXLUBIDAAAN-CQSZACIVSA-N 389.907 3.616 0 40 GHAB Cc1cccc(NC(=S)N[C@H](C)[C@H](c2ccccc2)N2CCN(C)CC2)c1C 22928308 YIIQGQGVJVFUGR-DENIHFKCSA-N 396.604 3.967 0 40 GHAB C[C@H](CN1CCN(Cc2ccccc2)CC1)OC(=O)c1cc2ccccc2o1 20059476 IUZUIPBEMLWCTQ-GOSISDBHSA-N 378.472 3.796 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105913 VWPCKAONVUWEGG-XHBSWPGZSA-N 392.348 3.992 0 40 GHAB O=C(Nc1ccccc1)[C@H]1C(=O)N[C@@]2(c3ccccc3)C[C@H]1c1ccccc1O2 100748998 FTBQIMXPMGDEID-PTLVVNQVSA-N 384.435 3.790 0 40 GHAB biogenic O=C(OCCCn1c(=O)[nH]c2ccccc21)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102412951 DADHIQBPGNEUGO-VKFLQFAXSA-N 388.895 3.841 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 22925721 DPEALSHDORLLEU-UHFFFAOYSA-N 394.424 3.744 0 40 GHAB CCOC(=O)C1=C(C)NC(c2nccs2)=N[C@H]1c1ccc(F)c(F)c1C 1857793333 URNLNAXZVGJVDH-HNNXBMFYSA-N 377.416 3.658 0 40 GHAB CCc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)sc1C 23981458 RPZOJMZUXPPUPO-GOSISDBHSA-N 376.497 3.561 0 40 GHAB CCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 880170 KSOPMXSZQRJCOJ-UHFFFAOYSA-N 399.491 3.572 0 40 GHAB CC(C)Nc1cccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)c1 79072552 ZITMMHBXJIUDGP-CTNGQTDRSA-N 399.922 3.996 0 40 GHAB Cc1c(C(=O)Nc2ccc(Br)cc2)nnn1-c1ccc(F)cc1 2692833 AQPDOSVDJMHNGP-UHFFFAOYSA-N 375.201 3.730 0 40 GHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1 3399736 MGSFIZRNQYVYJD-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB CCc1ccc(Nc2nnc(SCC(=O)NC(=O)NC(C)(C)C)s2)cc1 3461184 ARKYFCBMWMPCIZ-UHFFFAOYSA-N 393.538 3.561 0 40 GHAB Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(OC[C@@H]2CCCO2)c1 55652932 TUOJFSODJGMGMK-INIZCTEOSA-N 379.412 3.912 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2)cc1 4757048 OIGPFCBNKUJPEC-VPWXQRGCSA-N 384.501 3.714 0 40 GHAB Cc1nc(NCCNC(=O)c2ccc(F)cc2)c2c3c(sc2n1)CCCC3 4848563 QJANFFRWDDNLGD-UHFFFAOYSA-N 384.480 3.860 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2Cl)c1 6213999 GRHVVHWHTHODMX-UHFFFAOYSA-N 380.897 3.978 0 40 GHAB O=C(NCCSCc1ccccc1)c1cccc(I)c1 7642437 FYIPZSFKZLFJPO-UHFFFAOYSA-N 397.281 3.954 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 25916132 OQTLXRYJFRZNIQ-ZACQAIPSSA-N 376.522 3.933 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1Cl)C1CCCCC1 8169464 JVQDERVYQNVBIX-UHFFFAOYSA-N 379.309 3.526 0 40 GHAB COCCCN1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1 57143301 ZNSXGZSXTFIOLN-UHFFFAOYSA-N 379.456 3.881 0 40 GHAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)Cc4ccccc4)cc3)C(=O)[C@@H]2C1 105464158 JXAHSHSWTHRZOW-UIAACRFSSA-N 377.440 3.760 0 40 GHAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@H]2CCC(C)(C)c3ccccc32)cc1 58023023 XZZNYDGZEZDQBC-YPNIWSFNSA-N 398.528 3.537 0 40 GHAB O=c1c(=O)n(Cc2ccccc2)c2cc(Cl)ccc2n1Cc1ccccc1 9683085 HMLVTHJIMCZXCV-UHFFFAOYSA-N 376.843 3.913 0 40 GHAB COc1ccc(C(=O)NC(=S)N(C)C2CCCCC2)cc1Br 2136821 UQXCOWABVRZKBS-UHFFFAOYSA-N 385.327 3.737 0 40 GHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(Cc1ccco1)c1cccc(F)c1 58356644 KSZQZLNYDJERDC-UHFFFAOYSA-N 389.404 3.821 0 40 GHAB Cc1ccc(-c2nnc3s/c(=C\c4ccc(Cl)c(Cl)c4)c(=O)n23)cc1 2396275 RTCDXVKECYBBQF-DHDCSXOGSA-N 388.279 3.981 0 40 GHAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1 2371754 LSCJSODBYCYVSE-UHFFFAOYSA-N 398.415 3.623 0 40 GHAB O=c1[nH]c(CSc2nnc(NCc3ccccc3)s2)nc2ccccc12 2646621 AHVAPIMZAJVPDB-UHFFFAOYSA-N 381.486 3.679 0 40 GHAB Cc1ccc(N(CCCC(=O)Nc2c(F)cccc2F)S(C)(=O)=O)cc1C 10334701 DSJBGSZWKRMNLX-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB O=C(COc1ccc(-c2cc3ccccc3oc2=O)cc1)NCc1ccncc1 12324246 YFKPZLIHMZGTDP-UHFFFAOYSA-N 386.407 3.550 0 40 GHAB CN(Cc1cccc(F)c1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12792120 YLBPGKFEYRMLAQ-UHFFFAOYSA-N 393.462 3.924 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1Cl 48313083 AGPLBTUVKFJLSF-LJQANCHMSA-N 397.910 3.734 0 40 GHAB CC1(C)CC(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)[nH]c2C1 20635439 IGKGDQQWEAVGRH-UHFFFAOYSA-N 378.350 3.801 0 40 GHAB COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)o1 3457275 DDXJIWNRUUDOEA-UHFFFAOYSA-N 390.486 3.546 0 40 GHAB CC(C)n1ncc2cc(C(=O)NCc3ccccc3OC(F)(F)F)cnc21 12903042 OMZLIBBZFWEVEL-UHFFFAOYSA-N 378.354 3.841 0 40 GHAB COc1ccc(OC)c(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 13012798 VJYSKFRDPLXTCB-UHFFFAOYSA-N 383.448 3.586 0 40 GHAB COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 13278660 ZYIHZKFRPKLPGL-UHFFFAOYSA-N 399.424 3.987 0 40 GHAB Cc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1COC(C)(C)C2 13207187 CRLYFOUQMBLRRJ-UHFFFAOYSA-N 375.432 3.938 0 40 GHAB Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1 6201426 ZMMWUXHDLJWQFJ-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1Br 9356048 QNRKEAJXWPBMER-CYBMUJFWSA-N 398.322 3.757 0 40 GHAB COc1ccc(CN(CC(=O)N2CC=C(c3ccccc3)CC2)C2CC2)cc1 14242891 XIOFLSVYQCHMAT-UHFFFAOYSA-N 376.500 3.976 0 40 GHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 6590056 ZZGOJIIAMXEMTI-UHFFFAOYSA-N 381.476 3.996 0 40 GHAB COc1ccc2c(c1)CCc1c-2n[nH]c1-c1nc(-c2ccc3c(c2)OCO3)no1 9421387 CRELCNKNZIZHAL-UHFFFAOYSA-N 388.383 3.630 0 40 GHAB Cc1ccc(NC(=O)[C@@]2(CC(=O)O)CC(/C=C/c3ccccc3)=NO2)c(C)c1 6662786 QVUDYBPVOBNVOX-CZQLGGELSA-N 378.428 3.945 0 40 GHAB O=C(CSc1ccccc1C(=O)NCc1ccccc1)NCc1ccco1 6610870 PTVUNZITNHXXKL-UHFFFAOYSA-N 380.469 3.618 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O 7024032 RALYUHAFKBQRJY-RHSMWYFYSA-N 381.501 3.820 0 40 GHAB CCNc1nnc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)s1 7247810 OWZNMACLXAWJPX-NSHDSACASA-N 380.564 3.980 0 40 GHAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCCSCc1cccs1 7271912 YGTJYPUNMAABDY-OAHLLOKOSA-N 378.544 3.601 0 40 GHAB CC(C)(C)C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O 19939436 PLEBDJGYXYYDHK-IBGZPJMESA-N 395.425 3.639 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)nc2n1 7823063 CNYKKQHCMZAQSN-HNNXBMFYSA-N 395.532 3.589 0 40 GHAB Cc1c([C@H](C)NC(=O)Cc2ccc[nH]2)cnn1-c1cccc(C(F)(F)F)c1 95445122 AAPIOQKZCNQPEY-LBPRGKRZSA-N 376.382 3.948 0 40 GHAB Cc1ccc(C)c(OCCC(=O)OCC(=O)Nc2ccccc2OC(F)F)c1 7982872 FZXFQIIHELPERI-UHFFFAOYSA-N 393.386 3.856 0 40 GHAB O=C(CNC(=O)c1sc2ccccc2c1Cl)NCCc1ccc(F)cc1 8264960 PBOPTBLABWEXLV-UHFFFAOYSA-N 390.867 3.783 0 40 GHAB O=C(Cn1nnc2ccccc21)Nc1nc(-c2ccc3c(c2)CCC3)cs1 8328048 MSUGWKSSUIURJD-UHFFFAOYSA-N 375.457 3.682 0 40 GHAB C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)C[C@@H](C)O1 17327388 KQNOEXVPWAVVQB-HZPDHXFCSA-N 386.517 3.501 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(C)cc1 408705835 OJGHMGZRABWRHC-UHFFFAOYSA-N 384.476 3.559 0 40 GHAB Cc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2N2CCCCC2)cc1 8720463 UDFIFPRHJALMEO-UHFFFAOYSA-N 381.505 3.869 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)c2nc3ccccc3n21 9060483 ZJPWLTKBOGEECD-LJQANCHMSA-N 386.411 3.746 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3ncn(-c4ccccc4)n3)sc2C)cc1 95982519 PGHOSPHQHWZUKO-UHFFFAOYSA-N 391.456 3.960 0 40 GHAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@@H]1c1ccc(F)cc1 25540000 RUSLDHHIEHQYKE-MRXNPFEDSA-N 383.391 3.799 0 40 GHAB O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)N1 409040021 FFSZRFSMRZURKI-VGOFMYFVSA-N 381.190 3.892 0 40 GHAB CCOC(=O)N1CCN([C@@H](c2ccccn2)c2c(C)[nH]c3ccccc23)CC1 21673333 OKBFLDRJCQKBMB-NRFANRHFSA-N 378.476 3.735 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 408559062 UGKOCHQPKQUDCK-LLVKDONJSA-N 387.288 3.787 0 40 GHAB CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 32925199 JAGUGJCVTNGJBX-UHFFFAOYSA-N 390.281 3.909 0 40 GHAB O=S(=O)(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2 70640130 SBVVOTNFNSLQQH-SFHVURJKSA-N 399.434 3.596 0 40 GHAB O=C(CN1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1)N1CCCCC1 72359366 FKGQUUJEIUHOIP-UHFFFAOYSA-N 398.938 3.989 0 40 GHAB O=C(Cc1cccnc1)N1CCC(c2nccnc2Oc2ccccc2F)CC1 72362370 JUEUHGCZBHCIMK-UHFFFAOYSA-N 392.434 3.752 0 40 GHAB COc1ccc(CN(C)C(=O)COc2ccc(Br)c(C)c2)cc1 218820709 ZMPFGYAWWTZJGA-UHFFFAOYSA-N 378.266 3.804 0 40 GHAB CC(C)c1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1 71769017 MCSWFPPUCKEQRI-UHFFFAOYSA-N 381.451 3.955 0 40 GHAB C[C@H](Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)O)c1ccccc1 217565107 NJDBECKHCUUVIP-ZDUSSCGKSA-N 376.478 3.635 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 223043895 XOZBLYCOCGJDQD-NRFANRHFSA-N 382.504 3.544 0 40 GHAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 225618043 HXVSRDUJVPVHFK-NRFANRHFSA-N 376.497 3.612 0 40 GHAB COC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc2ccccc2c1 225043518 SCBCZFIOVWVBEE-UHFFFAOYSA-N 383.469 3.825 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(C)c(C)c1 225309468 IBLCWPRIBUYUIE-LJQANCHMSA-N 375.490 3.828 0 40 GHAB COC(=O)C12C[C@@H]3C[C@@H](CC(NC(=O)c4cc(-c5ccccc5)on4)(C3)C1)C2 44226271 SVQYJHFXZNKJAA-BXBLUCELSA-N 380.444 3.583 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c1 220125185 AGJPPUIREHAIBB-CQSZACIVSA-N 380.897 3.750 0 40 GHAB COc1ccc(SCCCNC(=S)Nc2ccc3c(c2)OCCO3)cc1 225803128 LTDWTCZHJBYXBE-UHFFFAOYSA-N 390.530 3.935 0 40 GHAB CCOc1ccc(CNC(=S)Nc2cccc(C(=O)OC)c2)cc1OCC 225528758 CIVYLYPPUFYIHY-UHFFFAOYSA-N 388.489 3.757 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225743703 NPTIVFVPXJWWLC-CQSZACIVSA-N 390.530 3.578 0 40 GHAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC 224373117 FNEPKSJFNLCPCN-UHFFFAOYSA-N 396.896 3.679 0 40 GHAB Fc1cnc(N2CCC3(CC2)CN(Cc2nccs2)Cc2ccccc23)nc1 96242623 XDGZMCNDNVFNAG-UHFFFAOYSA-N 395.507 3.626 0 40 GHAB COc1cccc(-c2ccc3c([C@@H]4CCCN4C(=O)NC(C)C)nnn3c2)c1 96267917 SLOCDOXKRAIZPB-SFHVURJKSA-N 379.464 3.660 0 40 GHAB O=C(C[C@H]1CC2(CCN(Cc3nccs3)CC2)Oc2ccccc21)NC1CC1 96079985 VMKQYCPOBNNNTE-INIZCTEOSA-N 397.544 3.713 0 40 GHAB O=C(c1ccccc1F)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 98211720 AVOCAADUKZZQAJ-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(F)c1 244454628 ZDUFJSLSCSRWHM-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)C1 257296519 RDEPUWQJWMJRGU-KMDURMPMSA-N 395.547 3.869 0 40 GHAB CCC(CC)C(=O)N1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(N)=O)C1 257240026 HRTCNADYGKORIF-NRFANRHFSA-N 394.943 3.948 0 40 GHAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C[C@H]2CCCO2)N1C1CCCC1 260918097 LAQGTDPNPPUPNI-DUXKGJEZSA-N 396.560 3.977 0 40 GHAB O=C(c1ccc2cc[nH]c2c1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96120135 STOMWKMWWXHASF-KRWDZBQOSA-N 388.876 3.510 0 40 GHAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc(Cl)cc1 585111222 JTVTXZSQFWFWRJ-IBGZPJMESA-N 381.863 3.629 0 40 GHAB Cc1nc(CN2C(=O)CC[C@@]23CCCN(Cc2cnc(C)s2)CC3)cs1 585100224 IBSLHZFVPKMLMX-LJQANCHMSA-N 390.578 3.764 0 40 GHAB Cc1cc(C)n(CCOc2ccc(CN(C)C[C@H](O)c3ccccc3)cc2)n1 585270130 GIOFIGLTJBYSAG-QHCPKHFHSA-N 379.504 3.744 0 40 GHAB Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1ccc(-c2cc[nH]n2)cc1 685939930 IOLGDVKSKIGCNB-MRXNPFEDSA-N 382.489 3.666 0 40 GHAB CCSCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cc1 55247045 WKVAIKGIFYRXLG-OAHLLOKOSA-N 375.519 3.640 0 40 GHAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccccc1SC(F)F 11149249 PTQZDDYUQHDSMY-UHFFFAOYSA-N 377.372 3.673 0 40 GHAB Cc1occc1-c1cc2nc3c(c(O)n2n1)CCN(Cc1cccc(F)c1)C3 12185457 QCPBLKNWEHOZRZ-UHFFFAOYSA-N 378.407 3.701 0 40 GHAB COc1ccc(NC2=NC(c3ccccc3)=NP(N(C)C)(N(C)C)=N2)cc1 12524186 YMWGTVBYDUMBHP-UHFFFAOYSA-N 384.424 3.993 0 40 GHAB COc1cccc(CCCNC(=O)c2ccccc2I)c1 13667566 ALCFGBBTRDJVIM-UHFFFAOYSA-N 395.240 3.662 0 40 GHAB CC(C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 14909528 KIZQMMIHLLURPY-UHFFFAOYSA-N 386.517 3.849 0 40 GHAB COC[C@H](C)NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 15963931 NVVZHYSBNVEAAJ-NSHDSACASA-N 377.897 3.873 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1nc2ccccc2nc1NCC(C)C 16757334 DPLKBTYBLFTIOK-UHFFFAOYSA-N 388.468 3.946 0 40 GHAB O[C@H]1CC2(CCN(C[C@@H](O)c3c[nH]c4ccc(F)cc34)CC2)Oc2ccccc21 19374901 QUDNUGSXUNYYOT-LEWJYISDSA-N 396.462 3.691 0 40 GHAB COc1ncc(CN(Cc2ccccc2OC)C2CC(C)(C)NC(C)(C)C2)cn1 19461023 GMIODBUVWKFBQC-UHFFFAOYSA-N 398.551 3.805 0 40 GHAB CCCOc1ccccc1CN1CCc2nc([C@@H]3CCCCN3C)ncc2C1 19525170 AOLYXUGVFWVZPY-NRFANRHFSA-N 380.536 3.981 0 40 GHAB Cc1c(C(=O)N2CCc3nc([C@@H]4CCCN4C)ncc3C2)oc2ccc(F)cc12 19565614 GFMUPOUQAKBYIE-SFHVURJKSA-N 394.450 3.636 0 40 GHAB COc1ccc2cnc(C3CCN(CC(=O)[C@@]4(C)CCCO4)CC3)cc2c1C 19582713 RCTLHRHSXSROQP-HSZRJFAPSA-N 382.504 3.869 0 40 GHAB Cc1nn(C(C)C)cc1S(=O)(=O)Nc1ccccc1OC[C@H]1CCCCO1 19583342 VPRGXBUWFVEJJL-MRXNPFEDSA-N 393.509 3.521 0 40 GHAB CCOc1cccc2sc(NC(=O)c3nn(CC)c(=O)c4ccccc34)nc12 19716929 XWODNGIHHGRQSG-UHFFFAOYSA-N 394.456 3.677 0 40 GHAB NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(CCc2ccccc2)C1 19371203 LUJQOXNYIDPAKG-RUZDIDTESA-N 385.511 3.711 0 40 GHAB Cc1sc2nc(COC(=O)c3ccc(OC(F)(F)F)cc3)[nH]c(=O)c2c1C 2634997 FMZCYSWYOMYWTR-UHFFFAOYSA-N 398.362 3.857 0 40 GHAB CC(=O)c1ccccc1NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 6087256 CIRFAEVPBXRZBO-UHFFFAOYSA-N 390.226 3.545 0 40 GHAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccc(N2CCCC2=O)cc1 10212985 JXUGKWGSAKFUFX-UHFFFAOYSA-N 398.484 3.706 0 40 GHAB O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccc3ncsc3c2)c1 10571852 XAYDDZMPKLRQPY-UHFFFAOYSA-N 379.363 3.841 0 40 GHAB CN(Cc1cccc(Cl)c1)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12326038 DOOZXJFWZXQHOU-GOSISDBHSA-N 399.922 3.649 0 40 GHAB CC(C)(C)c1ccc(OCCNC(=O)CCc2nc(-c3ccncc3)no2)cc1 22318123 NNNULQUPEAHITN-UHFFFAOYSA-N 394.475 3.557 0 40 GHAB O=C(CSc1ncccn1)Nc1ccc(Br)cc1C(F)(F)F 1066856 MJVUJDLISDOBQA-UHFFFAOYSA-N 392.200 3.989 0 40 GHAB COc1cccc(-c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)c1 4356493 DWTJUDLOGAHZAL-UHFFFAOYSA-N 383.448 3.700 0 40 GHAB Cc1ccc(-c2ccc(SCC(=O)Nc3ccc4c(c3)OCCO4)nn2)cc1 4356024 QVTGEHVTYPZGDS-UHFFFAOYSA-N 393.468 3.954 0 40 GHAB COC(=O)c1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)cc1 6441047 VTSBZPWSHNSYRB-UHFFFAOYSA-N 396.424 3.620 0 40 GHAB Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2)c2ccco2)ccc1F 15781288 FQKLQTFGMJTUCS-IBGZPJMESA-N 387.432 3.672 0 40 GHAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1csc(-c2ccccc2)n1 206704682 LPMDMLXLWCNEAI-GOSISDBHSA-N 392.402 3.990 0 40 GHAB O=C(COc1ccc(F)cc1)NC[C@@H](O)c1ccc(-c2ccsc2)s1 675008196 HTHHLUWRKSUDKI-OAHLLOKOSA-N 377.462 3.844 0 40 GHAB COCCNc1oc(-c2cccc(C)c2)nc1S(=O)(=O)c1ccc(C)cc1 12419248 XREQMTLLEPGKLO-UHFFFAOYSA-N 386.473 3.850 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1cccc2ccccc12 70636130 NHYXCWXYVDORPB-GOSISDBHSA-N 375.877 3.814 0 40 GHAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1cccc2[nH]ccc12 40312427 SKOILFXVPCESOK-UHFFFAOYSA-N 380.835 3.600 0 40 GHAB biogenic CCOc1ccc(CNC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 32578928 OFAQALJPWDINBC-UHFFFAOYSA-N 395.459 3.954 0 40 GHAB c1ccc(-c2noc(CN3CCN(Cc4nc5ccccc5s4)CC3)n2)cc1 22780456 OEVPZSJMMLLGBN-UHFFFAOYSA-N 391.500 3.664 0 40 GHAB Cc1c(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)oc2c(F)cccc12 23054619 FPZFWKHVRDVCPI-UHFFFAOYSA-N 380.375 3.782 0 40 GHAB Cc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 829708 VRQBBXPGWQSGFR-UHFFFAOYSA-N 398.459 3.968 0 40 GHAB COc1ccccc1Oc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 33608418 BIGHNVSRBRABMR-UHFFFAOYSA-N 399.424 3.987 0 40 GHAB COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)O)cc1OC 711221 VLKCLPMMZZBNDW-SFHVURJKSA-N 396.443 3.555 0 40 GHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(OC)c(OC)c1 812075 KSBBBYUDPJRNKM-UHFFFAOYSA-N 396.399 3.810 0 40 GHAB Cc1ccc(O)c(NC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)c1 814934 ZSRJEQYHHADALF-MRXNPFEDSA-N 375.222 3.595 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12 870473 AKOKPURGEUYANS-UHFFFAOYSA-N 399.501 3.695 0 40 GHAB Cc1ccccc1C(=O)c1c[nH]c(C(=O)N2CCN(c3ccccc3F)CC2)c1 1403991 VVSMPQDQMVKJRQ-UHFFFAOYSA-N 391.446 3.656 0 40 GHAB COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1 2249916 BYKCCWSZJKBEPC-GUYCJALGSA-N 388.489 3.543 0 40 GHAB COCCCn1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 2403445 HBIGUMPZZVKLBG-UHFFFAOYSA-N 382.464 3.693 0 40 GHAB CC(=O)c1cccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)c1 2550996 SJKHPFHFUPKGSE-UHFFFAOYSA-N 379.441 3.852 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 2658967 MPEBYPZNGIFSDT-INIZCTEOSA-N 396.468 3.569 0 40 GHAB CC(=O)[C@@H]1C[C@@H](CC(=O)NC(=O)Nc2ccc(Br)cc2)C1(C)C 3171951 HOWPMEDKYHYTGO-FZMZJTMJSA-N 381.270 3.739 0 40 GHAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)N1CCOCC1 3258463 FCGQWPBVTBRFTQ-UHFFFAOYSA-N 395.893 3.556 0 40 GHAB CCCS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 3331775 DYHVSGZVWODSDO-IBGZPJMESA-N 385.533 3.695 0 40 GHAB CC1=C(C(=O)N(C)C)[C@H](c2ccccc2F)NC(=S)N1Cc1ccccc1 3435253 GOBYDFSKASFFIU-IBGZPJMESA-N 383.492 3.619 0 40 GHAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C(C)C 3497109 QNXVQEZRYOLIOE-UHFFFAOYSA-N 397.504 3.915 0 40 GHAB COc1ccc(/C=C/C(=O)NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 3999732 JNYMMOPGOZCHNE-DLENHJPASA-N 381.501 3.732 0 40 GHAB biogenic COc1ccc(-c2c(C)oc3cc(O[C@@H](C)C(=O)O)ccc3c2=O)cc1OC 4046824 NKWCMWFBICKMQI-LBPRGKRZSA-N 384.384 3.638 0 40 GHAB biogenic Cc1csc2ncc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(=O)n12 4251593 NJESPLFIINBKRT-UHFFFAOYSA-N 389.480 3.907 0 40 GHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 4585818 WSQVLQJLAZVAQB-UHFFFAOYSA-N 390.461 3.995 0 40 GHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3C)C2=O)cc1 4741022 MAVFVUONVGEGHL-GZTJUZNOSA-N 382.441 3.679 0 40 GHAB CCOc1ccccc1OCc1nn2c(-c3ccc(OC)cc3)nnc2s1 4938718 XACHZZYPRNSFMK-UHFFFAOYSA-N 382.445 3.839 0 40 GHAB O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(Br)cc1 5022375 PCTHQAQYEAGXLE-AWEZNQCLSA-N 391.221 3.585 0 40 GHAB O=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1cccs1 5072184 GAIRQRNBVWVSQT-UHFFFAOYSA-N 377.473 3.617 0 40 GHAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H](C(C)C)[C@@H](CO)[C@H]3[C@H](CO)C[C@@H]12 5084832 LSEZDZDSBYJFOM-VTLDGTEESA-N 380.569 3.891 0 40 GHAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2F)no1 5205693 MDDHUXPBNRFUMQ-GOSISDBHSA-N 376.343 3.978 0 40 GHAB Cc1ccc(C)c(NC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)c1 5252869 PSPYSLGSAZVTNF-UHFFFAOYSA-N 391.471 3.570 0 40 GHAB COC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1O 5355553 FMVIRHLMGDDAIT-UHFFFAOYSA-N 390.395 3.683 0 40 GHAB COc1cc(-c2ccc(=O)n(Cc3cccc(Cl)c3)n2)cc(OC)c1OC 5409417 IYLHVICRKAODAN-UHFFFAOYSA-N 386.835 3.638 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCc3cc4c(cc3[C@H]2C)OCCCO4)cc1C 5427095 GSOFVHHMOHGWFF-MRXNPFEDSA-N 387.501 3.773 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)c(C)c1 6167946 QOBKVNPJNSBNOG-UHFFFAOYSA-N 381.457 3.752 0 40 GHAB C[C@@H](Oc1ccc(C(N)=O)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 6289985 ABMQYJCMIXEIEJ-SECBINFHSA-N 386.757 3.864 0 40 GHAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1F 6396735 SUQLHMFETIYGGQ-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB COc1cccc(N2CCN(c3ncnc4c3[nH]c3ccc(F)cc34)C[C@@H]2C)c1 6499375 LKIZLUUZCMZBLW-AWEZNQCLSA-N 391.450 3.974 0 40 GHAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)c1 6636341 AYDUVPHRZFPART-UHFFFAOYSA-N 392.864 3.954 0 40 GHAB O=c1[nH]nc(SCc2ccccc2Br)n1CCc1ccccc1 7347018 ODXCISYURGLMIK-UHFFFAOYSA-N 390.306 3.869 0 40 GHAB O=C(Nc1ccccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7669779 FGDKZQTUCMGRES-MRXNPFEDSA-N 399.299 3.785 0 40 GHAB Cc1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 8033626 BZENWDNMPCPZQE-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nncn1-c1ccccc1 8210989 YOXMEAPWCILLII-UHFFFAOYSA-N 395.513 3.628 0 40 GHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(OC)c(OC)cc2C)C1=O 8327404 YURUWHNJTBHXSI-OAQYLSRUSA-N 386.423 3.509 0 40 GHAB COc1ccc(/C=C/C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC 8349310 MRRVLMVBXDMZCO-GXDWLZFVSA-N 392.459 3.517 0 40 GHAB c1ccc(SCc2nnc3sc([C@H]4COc5ccccc5O4)nn23)cc1 8393284 COLQGRFBIWQKLE-OAHLLOKOSA-N 382.470 3.991 0 40 GHAB COCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2cccc(Cl)c2C)n1 8476673 AMKSGAOSEWTZKV-UHFFFAOYSA-N 384.867 3.581 0 40 GHAB CCCCn1c(SCC(=O)N[C@@H](C)CC)nc2sc(C)c(C)c2c1=O 8753957 OPBKJIRGYRRNBX-NSHDSACASA-N 381.567 3.882 0 40 GHAB COC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1cccc(Cl)c1Cl 8843506 YYHJVYLWEGKTIA-GFCCVEGCSA-N 385.276 3.769 0 40 GHAB COc1ccc(OCC(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 8863205 LNZMFWFERCZUKC-FQEVSTJZSA-N 388.533 3.869 0 40 GHAB O=C(COc1cccc2c1CCC2=O)Nc1ccc(Br)cc1F 10197654 GMDHRNUKZZKRAC-UHFFFAOYSA-N 378.197 3.735 0 40 GHAB O=C(NCc1ccccc1CN1CCCCC1)c1cc(=O)c2ccccc2o1 10281670 URVGDWZJPIXZED-UHFFFAOYSA-N 376.456 3.709 0 40 GHAB CNC(=O)c1c(NC(=O)c2cc(-c3ccccc3)on2)sc2c1CCCC2 11916496 YMNAFKGAIJDVLN-UHFFFAOYSA-N 381.457 3.894 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(C(=O)C3CCCC3)C2)on1 12123495 SYJLCBZNWFIADW-QGZVFWFLSA-N 393.491 3.897 0 40 GHAB O=C(Nc1ccccc1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 12421594 PILPUEVVQUEBAJ-UHFFFAOYSA-N 394.434 3.950 0 40 GHAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)C[C@H](C)O1 12757043 NVMMXSILJFMFLT-RYUDHWBXSA-N 397.447 3.606 0 40 GHAB CS(=O)(=O)Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1 12926024 LBQJKHWQKKNMTO-QFIPXVFZSA-N 393.508 3.945 0 40 GHAB CC(C)(C)c1ccc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 12976902 MLCFPVWMUFYBIH-UHFFFAOYSA-N 392.590 3.989 0 40 GHAB C1=NC2=NC3=C([C@H](c4cccs4)Oc4ccccc43)[C@@H](c3cccnc3)N2N1 13213816 POZMCLWWAHFHMU-UXHICEINSA-N 385.452 3.947 0 40 GHAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 13709238 PMOKUNKYNQVPJU-HNNXBMFYSA-N 398.484 3.642 0 40 GHAB COc1cccc(OCc2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)c1 13733786 AGYDBFULXXMHRR-UHFFFAOYSA-N 377.429 3.922 0 40 GHAB CCC[C@H](C)NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 14396844 SJYCETYURXDWBW-LBPRGKRZSA-N 395.352 3.844 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)N(C)C)o1 15860387 FRPWXEUCOMCYRR-HNNXBMFYSA-N 388.851 3.689 0 40 GHAB Cc1cc(S[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc12 16774869 LKYNMHIFCLPLKJ-LBPRGKRZSA-N 378.457 3.832 0 40 GHAB CC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1 18131474 SPHHCQKWDFWYAZ-HXUWFJFHSA-N 386.517 3.645 0 40 GHAB CC1CCN(Cc2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)o2)CC1 19496922 BXVVRUAFIZXWSB-UHFFFAOYSA-N 383.492 3.590 0 40 GHAB CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@@H]4CCCO4)C3)noc2n1 19521943 JCSKQDLCWWPYJN-RISCZKNCSA-N 397.397 3.689 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H]2COc3c(cccc3OC)C2)c1 19551284 GJTAGXHMZLNBFS-APWZRJJASA-N 397.471 3.627 0 40 GHAB Cc1cc(C)n(C[C@@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)n1 19573568 XPAQDHBWVKKGED-BEFAXECRSA-N 391.519 3.673 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H]2c2ccc(Cc3ccccc3F)cn2)cn1 19687912 FJNHXGGWACZCMY-NRFANRHFSA-N 376.435 3.887 0 40 GHAB CCn1cc(CN2CCO[C@H](c3ccc(Cc4ccc(C)cc4)cn3)C2)cn1 19692217 XTWPHMDOZOUXAL-QHCPKHFHSA-N 376.504 3.771 0 40 GHAB O=C(C1CCC1)N1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 19696037 SJTWMMVHYWIXHC-OAQYLSRUSA-N 384.495 3.769 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860110 CWDQUGLKOZNUHW-INIZCTEOSA-N 392.908 3.521 0 40 GHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N[C@H]1CCCc2ccccc21 19937735 IEOCJMURUXOZLC-IBGZPJMESA-N 393.874 3.827 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O 20671108 KSGRNDFUBICTIF-AWEZNQCLSA-N 397.450 3.746 0 40 GHAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccco1 21309204 LPFLEVTVOBMQPO-NRFANRHFSA-N 386.455 3.923 0 40 GHAB C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccncc1 22023869 FULUZPYMYTURKY-CYBMUJFWSA-N 378.398 3.589 0 40 GHAB CC(C)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c2cnn(C(C)C)c2n1 22384657 XHDPSGHCMQSETM-UHFFFAOYSA-N 393.447 3.719 0 40 GHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1c[nH]nc1-c1ccc(F)cc1 22464370 FJRDEPYHDHYLBB-FQEVSTJZSA-N 378.451 3.783 0 40 GHAB CCCCN(C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccccc1 23325211 NCEZSBOEBYIAKZ-UHFFFAOYSA-N 386.517 3.846 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)Cc2coc(-c3ccccc3)n2)c(C)c1 25041640 NJXRTHOZIDKTCD-UHFFFAOYSA-N 377.444 3.564 0 40 GHAB NC(=O)CSc1nnc(SCCOc2c(Cl)cccc2Cl)s1 25062754 AWSSKTWTJMELRC-UHFFFAOYSA-N 396.346 3.593 0 40 GHAB Cc1nc(-c2cc(C)n(CC(=O)N(C)Cc3ccc4c(c3)OCO4)c2C)cs1 25248672 UMRDPEZIMPHSLC-UHFFFAOYSA-N 397.500 3.924 0 40 GHAB CC[C@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccc(OC)cc1 25513845 ZFNHMWYHXAMNIP-INIZCTEOSA-N 381.881 3.633 0 40 GHAB Cc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1ccc2ccccc2c1 25784927 IOTJPQOUWORIET-UHFFFAOYSA-N 395.528 3.701 0 40 GHAB COc1cc(F)c(S(=O)(=O)Oc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1OC 27966741 BGYRSIBUJFOWKN-NSHDSACASA-N 394.420 3.609 0 40 GHAB COc1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c2ccccc12 28736431 BYBRCIHTLULHFD-UHFFFAOYSA-N 386.455 3.911 0 40 GHAB CC1CCN(S(=O)(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)CC1 32755420 USXGSYSVXWAYFE-FQEVSTJZSA-N 397.544 3.866 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCc3cccc(NC(=O)C4CC4)c3)on2)cc1 32833441 MSWZULSHMLAUFW-UHFFFAOYSA-N 375.428 3.929 0 40 GHAB Cc1ccc(/C=C/c2nc(SCCC(=O)N3CCc4ccccc43)n[nH]2)o1 32893528 HRSCURDRNSLCME-CMDGGOBGSA-N 380.473 3.948 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)C(C)(C)C 32910557 KHZIHBQIYQUZCM-SFHVURJKSA-N 375.509 3.897 0 40 GHAB O=C(CCc1nc(-c2cccs2)no1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 36398133 DDGLOWUTMYVVAX-OAHLLOKOSA-N 393.472 3.971 0 40 GHAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)c1ccccc1Cl 36646140 GSGOPBQCLGVVCZ-UHFFFAOYSA-N 396.859 3.737 0 40 GHAB O=C(Cc1csc(-c2ccccc2)n1)NC1CCN(Cc2ccccn2)CC1 36748781 NKILDZSVUIKERU-UHFFFAOYSA-N 392.528 3.528 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Sc3nccn3C)cc2)cc1 37133027 ZOLSTPKQELVEEF-UHFFFAOYSA-N 387.486 3.575 0 40 GHAB Cc1ccc(CNC(=O)CSc2nnc(-c3cccnc3)n2CC(C)C)cc1 39761863 IPBSDVLLULNASX-UHFFFAOYSA-N 395.532 3.713 0 40 GHAB C[C@H]1CN(Cc2ccc(CNC(=O)CCCc3ccccc3)cc2)C[C@@H](C)O1 40106931 OCNWPNWYJCCDAI-BGYRXZFFSA-N 380.532 3.935 0 40 GHAB COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 40117700 IESIIMVZLSJBHM-UHFFFAOYSA-N 378.208 3.720 0 40 GHAB COCc1nnc(NC(=O)c2ccc3ccn(Cc4ccccc4)c3c2)s1 40267215 ZZIMNLFRXMOHHY-UHFFFAOYSA-N 378.457 3.940 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NCCn1nc(-c2ccc(F)cc2)ccc1=O 42379530 DMYHKHUAAPHBFR-YRNVUSSQSA-N 397.837 3.532 0 40 GHAB Cc1cccc(C)c1OC1CCN(C(=O)NCc2cn3ccccc3n2)CC1 43476075 HUGHTKRPOOWIQW-UHFFFAOYSA-N 378.476 3.704 0 40 GHAB COc1ccc(CN(C)C(=O)CCc2nc(-c3ccsc3)no2)cc1F 48236795 MNBKGDBFFDHYOT-UHFFFAOYSA-N 375.425 3.537 0 40 GHAB CCN(CC)c1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cn1 48299225 HTQSBYBSMXPCMH-UHFFFAOYSA-N 383.883 3.901 0 40 GHAB COc1ccc(Cn2nnnc2SCCCc2nc3ccccc3o2)cc1 48356679 IHRNPHBWTLRDKV-UHFFFAOYSA-N 381.461 3.596 0 40 GHAB Cc1ccc2c(Nc3cccc(Cl)c3)c(C(=O)N3CCOCC3)cnc2n1 49004824 ZWKRBDZMSIRRJJ-UHFFFAOYSA-N 382.851 3.808 0 40 GHAB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1 52537422 JCQFBOQGTXORNB-UHFFFAOYSA-N 381.373 3.605 0 40 GHAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 52782152 HBVCNABHHUDKTB-HNNXBMFYSA-N 386.517 3.588 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)c1 57137739 JZCIOWFIFGXGEY-QGZVFWFLSA-N 382.504 3.793 0 40 GHAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)NCc2nc(-c3ccccc3)cs2)cc1 57225717 BOANOAWIXKYCRA-UHFFFAOYSA-N 390.468 3.528 0 40 GHAB CC(C)[C@H](NCC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 57387974 YSPKJTVVGOXYGP-IBGZPJMESA-N 394.924 3.669 0 40 GHAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1CCCc2ccccc21 58135174 QDRVMEBFTYDABU-NRFANRHFSA-N 383.923 3.656 0 40 GHAB CCc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cnn1-c1ccc(F)cc1 58155742 HNVUSAWLKUSHHK-IBGZPJMESA-N 392.478 3.578 0 40 GHAB COc1ccccc1N1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1 64670603 RSDDZSWLSLJQDT-UHFFFAOYSA-N 383.879 3.652 0 40 GHAB CCOc1ccc(-n2c(=O)c3sccc3n(Cc3ccc(F)cc3)c2=O)cc1 67260255 NZAAOULKVLCNCS-UHFFFAOYSA-N 396.443 3.800 0 40 GHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC[C@@H](C)CC2)cc1 68778991 ZKQZVBKTPDTNAT-MRXNPFEDSA-N 375.472 3.956 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1cccn1Cc1cccs1)CC2 70019818 XZRNOXAUABPUJV-UHFFFAOYSA-N 382.485 3.814 0 40 GHAB Fc1ccc(OCCN(CCOc2ccc(F)cc2)CCn2cccn2)cc1 70037006 SOSCJKOINDGFFX-UHFFFAOYSA-N 387.430 3.621 0 40 GHAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)c2coc(C)n2)n1 72358295 YIXDUQXIXQQCRU-FQEVSTJZSA-N 377.444 3.955 0 40 GHAB CCc1cc(C(=O)N2CCC[C@H](c3nccnc3Oc3cccnc3C)C2)on1 72384332 WNCKZIBXJLNQAC-HNNXBMFYSA-N 393.447 3.543 0 40 GHAB COCCN(C)C[C@@H]1CCCN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 78757365 XAINVYGFNOEZNX-IBGZPJMESA-N 393.487 3.678 0 40 GHAB CCc1ccc2nc(NC(=O)N3CCNC(=O)[C@H]3c3cccs3)sc2c1 78936581 IXSZDNDPHAKYFM-OAHLLOKOSA-N 386.502 3.625 0 40 GHAB CC(C)c1nnc(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)s1 89893814 JGVJUJHCQWQAGW-UHFFFAOYSA-N 392.282 3.862 0 40 GHAB Cc1ccc(N2CCC[C@H](C(=O)Nc3ccc(Br)c(C)c3)C2)nn1 90592244 CKSMMLMNWDWGPT-AWEZNQCLSA-N 389.297 3.711 0 40 GHAB Cc1cc(C)n(-c2nc(CCNC(=O)CSCc3ccccc3)cs2)n1 90609323 TVUBRMMYNGHOJL-UHFFFAOYSA-N 386.546 3.538 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)N[C@@H](CC(C)C)c1nnc2ccccn12 95474984 MMBPJCDMTZDQLO-HNNXBMFYSA-N 394.504 3.802 0 40 GHAB O=S(=O)(c1ccccc1)N1CC[C@]2(CCN(Cc3ccc(Cl)cc3)C2)C1 96071102 HAMQJCMEXXUCPC-FQEVSTJZSA-N 390.936 3.627 0 40 GHAB C[C@@H](c1ccccc1)N(CC(=O)NC(=O)NCC(F)(F)F)c1ccccc1 97162195 ZEZSXUADXVFBLD-AWEZNQCLSA-N 379.382 3.642 0 40 GHAB O=C(COc1ccc2ccccc2c1)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 100870759 NAZVMRKYJCRHEF-NYVOZVTQSA-N 376.500 3.575 0 40 GHAB CCc1ccc(N2C(=O)[C@@H]3C(c4ccco4)=NN(c4ccccc4)[C@@H]3C2=O)cc1 101460714 JEXBYCCOIRVSBY-CTNGQTDRSA-N 385.423 3.625 0 40 GHAB CCn1c(S)nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2c1=O 102828858 XZTICVIAQFOUEU-UHFFFAOYSA-N 393.390 3.976 0 40 GHAB NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCC[C@@H]2C2CCC2)c1 102869839 FBJGCMZISJVZQY-HXUWFJFHSA-N 378.472 3.769 0 40 GHAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(Nc2ccccc2)cc1 102914336 OAANFYHCKILWMF-PMACEKPBSA-N 391.471 3.934 0 40 GHAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccccc1Oc1ccccc1 103066605 NZTPHYXWEGGGPT-CALCHBBNSA-N 378.428 3.593 0 40 GHAB COc1ccc(Cl)cc1NC[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 208174280 LWWDCTBUJUEFDE-CRAIPNDOSA-N 394.924 3.848 0 40 GHAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 223120768 WIBOWFSBGIRXOJ-HNNXBMFYSA-N 398.528 3.588 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 223149363 NAIVDNZWCRRGTL-SFHVURJKSA-N 376.859 3.575 0 40 GHAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3nccs3)ccc2N1C(=O)c1ccccc1 223269441 JNSORBSULNTCLG-CYBMUJFWSA-N 399.497 3.535 0 40 GHAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223305176 ZAHAJTIZRVCRBP-FFZOFVMBSA-N 384.549 3.671 0 40 GHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223888468 CUJSHAGSIYXJEG-UZLBHIALSA-N 389.517 3.742 0 40 GHAB CN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc2c(c1)CCCC2 223931156 DNMGGJZVDUVMQS-UHFFFAOYSA-N 383.473 3.714 0 40 GHAB COc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1CN1CCCCC1 224840198 DYONZPPIRPMJCV-SFHVURJKSA-N 382.504 3.765 0 40 GHAB O=S(=O)(NCc1ccc(-c2ccco2)nc1)c1ccccc1Br 225753511 KOVNOZFJHBLZKP-UHFFFAOYSA-N 393.262 3.583 0 40 GHAB CC1CCN(S(=O)(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)CC1 226306627 JCJUAXJVKQYXNX-UHFFFAOYSA-N 383.469 3.881 0 40 GHAB Cc1nc(CNC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Cl)cs1 227159926 XFIOLGPSIWVMTF-UHFFFAOYSA-N 390.896 3.764 0 40 GHAB O=C1N[C@H](CC(=O)N2[C@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)c2ccccc21 247889943 YHHFIEZMHWSCPC-BBTUJRGHSA-N 378.447 3.938 0 40 GHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(F)cccc4F)OCC[C@@]31C2 257203744 ARMDHHCSRZIERM-QKKGXHDOSA-N 393.474 4.000 0 40 GHAB O=C(Cc1ccccc1F)N1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 257215991 CSPCKVCIVBJWAF-HXUWFJFHSA-N 392.434 3.502 0 40 GHAB CCCC(=O)N1CCC(Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)CC1 257288170 PTEKKCOBRQRVHR-UHFFFAOYSA-N 393.531 3.788 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@]2(C)c2ncc(Cc3cccc(F)c3)o2)n1 257306132 STBHNRYALOZAPA-JOCHJYFZSA-N 396.466 3.756 0 40 GHAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)Cc4ccc(F)cc4)CC3)n2n1 257329971 XMFUMWUYNVJBMQ-IYARVYRRSA-N 380.467 3.810 0 40 GHAB Cn1cc(CN2CCC[C@@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 306130240 IZUQZVLIQYQVMY-LJQANCHMSA-N 390.466 3.649 0 40 GHAB COc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc(OC)c1OC 408818439 VKUDNTREKUTDKP-UHFFFAOYSA-N 389.428 3.614 0 40 GHAB CCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 409051684 DPUBEERZPXTVNF-UHFFFAOYSA-N 386.945 3.580 0 40 GHAB COc1cccc(C[C@H](C)NC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)c1 527749331 ZEQZZPWGMDBDBO-KRWDZBQOSA-N 392.503 3.639 0 40 GHAB CCc1noc2ncc(C(=O)N3CCCN(c4ccccc4Cl)CC3)cc12 571596617 YSIXNTITJYLOCN-UHFFFAOYSA-N 384.867 3.791 0 40 GHAB Cn1cc(-c2cncc(CNC(=O)c3cccc(OCc4ccccc4)c3)c2)cn1 575414757 ORZYMUPJFMYPOB-UHFFFAOYSA-N 398.466 3.991 0 40 GHAB Cc1nc(N2CCC(Nc3ncnc4sccc34)CC2)cc(C(F)(F)F)n1 575614931 ARLNGEPHHFJHCP-UHFFFAOYSA-N 394.426 3.889 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)NCc3cncc(-c4ccco4)c3)CC2=O)cc1C 575617430 ALYKMPQQHUTBNV-IBGZPJMESA-N 389.455 3.628 0 40 GHAB O=C(c1cc2nccnc2cc1F)N1CCC(Cc2nc3ccccc3[nH]2)CC1 575797625 XTZZQAMMGZIRQR-UHFFFAOYSA-N 389.434 3.740 0 40 GHAB CCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1c[nH]c(Cl)c1)C2 585107119 PQZQRRGCYFNYGG-OAQYLSRUSA-N 395.894 3.825 0 40 GHAB Cc1ncccc1OC[C@H]1CCCN1C(=O)c1cc(C)n(C2CCOCC2)c1C 616350778 NPSKNPLYRXOHBD-HXUWFJFHSA-N 397.519 3.843 0 40 GHAB CC[C@@H](CNC(=O)N1CCC12CCOCC2)Oc1ccccc1C(F)(F)F 683419368 MJYRHYOZMXBZHX-AWEZNQCLSA-N 386.414 3.827 0 40 GHAB COc1c(C)cccc1CN1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984016 NISLWLXVEIVMJH-XMMPIXPASA-N 394.515 3.792 0 40 GHAB C[C@H]1CCCC[C@H]1OCCNC(=O)NC1CCN(c2ccc(F)cc2)CC1 54651992 USDOUDKZBPFQIB-OXJNMPFZSA-N 377.504 3.689 0 40 GHAB COc1cccc(-c2ccc(=O)n(Cc3ccc(OC(F)(F)F)cc3)n2)c1 61717826 XEDXAZXEBLQGJQ-UHFFFAOYSA-N 376.334 3.866 0 40 GHAB COc1cc(NC(=O)c2ccccc2Br)c(OC)cc1NC(C)=O 1324280 IYRSYPXYIHWTSG-UHFFFAOYSA-N 393.237 3.677 0 40 GHAB Cc1ccc(C)c(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2cccnc2)c1 1328610 HDIOHZODAQOQMV-UHFFFAOYSA-N 395.532 3.953 0 40 GHAB CCc1ccc2c(c1)c1nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)nc1n2C 1366160 ZGABUYRQOMVFEA-CJNGLKHVSA-N 397.548 3.866 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc2c(c1)NC(=O)CS2 4581713 NWBZEDVLHXCBKC-LBPRGKRZSA-N 394.452 3.949 0 40 GHAB O=c1c(-c2cc3ccccc3o2)[n+]([O-])c2ccccc2n1OCc1ccccc1 1416782 VIZJVZZERYNVKG-UHFFFAOYSA-N 384.391 3.677 0 40 GHAB CCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)n2c1oc1ccccc12 6721277 MFQYUBVVVOXOCK-UHFFFAOYSA-N 390.395 3.783 0 40 GHAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)F)c(Cl)c1 7778413 PHANUVDJLPVCBS-UHFFFAOYSA-N 394.761 3.566 0 40 GHAB CC(C)CC(=O)Nc1ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc1 43688547 PAMMPIJIEPJPOI-UHFFFAOYSA-N 377.485 3.915 0 40 GHAB Cc1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3sccc32)c(C)c1 57426646 WEMBLFLQTBDJGY-UHFFFAOYSA-N 399.516 3.526 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)c2n[nH]nc2Nc2cccc(OC)c2)c1 57510760 NXWDYBWRXREJDC-UHFFFAOYSA-N 397.435 3.607 0 40 GHAB CCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 8085998 KMJQBLXRWLMSOM-UHFFFAOYSA-N 388.533 3.755 0 40 GHAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)ccc1C(C)C 44487863 WJXWWWOZTTYWPP-QGZVFWFLSA-N 398.503 3.991 0 40 GHAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccoc2)CC1)C12CC3CC(CC(C3)C1)C2 44667438 QOKVUSWJAOEGKT-LRYXAPPNSA-N 384.520 3.853 0 40 GHAB COc1ccc2c(c1)CCCN2C(=O)c1ccccc1I 10541918 RNCYLSUOEAOQEP-UHFFFAOYSA-N 393.224 3.893 0 40 GHAB O=c1oc2cc(Br)ccc2n1CN1CCC[C@@H](C(F)(F)F)C1 36391084 OWNLYIGZQCSJOO-SECBINFHSA-N 379.176 3.589 0 40 GHAB C[C@H]1c2cccn2CCN1CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 36392229 OXYACDZGAPAPLL-YCRPNKLZSA-N 383.492 3.971 0 40 GHAB CCCn1c(SCC(=O)N[C@@H](C)COC)nc2ccc(C(F)(F)F)cc21 11021825 PGDNJUDELVARFN-NSHDSACASA-N 389.443 3.708 0 40 GHAB Cc1ccc(-n2nnnc2SCC(=O)c2ccccc2Br)cc1 3277726 UAZKEVRTJWMVRR-UHFFFAOYSA-N 389.278 3.708 0 40 GHAB COc1cccc2[nH]c3c(N4CCN(c5ccccc5F)CC4)ncnc3c12 2440246 BLGQKZLTCYJAMX-UHFFFAOYSA-N 377.423 3.585 0 40 GHAB CC[C@H]1C=CC[C@H]2C(=O)N(CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 100639512 LQRUMGGMHSEQQW-KANYHAFZSA-N 381.259 3.519 0 40 GHAB CC(C)N(C(=O)CNc1ccc(-c2nnnn2C2CC2)cc1)c1ccccc1 29941319 KHKIUPUYZVHPDM-UHFFFAOYSA-N 376.464 3.529 0 40 GHAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)c(F)c2F)N2CCCC2)cc1 60920432 DCUNBFRJUOBCRL-MRXNPFEDSA-N 398.450 3.528 0 40 GHAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@@H]32)cc(OC)c1O 101175225 CFBIVVPQSCMBOS-KGFUPYJGSA-N 391.514 3.812 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2sc(NC(=O)C3CC3)cc2C)c1 12796103 XCGDROQMKPPCQK-GFCCVEGCSA-N 388.489 3.913 0 40 GHAB O=C(COC(=O)c1nc(Cl)ccc1Cl)N[C@H]1CCCc2ccccc21 3367369 FBVLTANECYPZLP-AWEZNQCLSA-N 379.243 3.739 0 40 GHAB CCc1cccc(CC)c1NC(=O)Cc1c(C)nc2nc(SC)nn2c1C 12879025 KMTRZMLORFEIDT-UHFFFAOYSA-N 383.521 3.769 0 40 GHAB O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCN(C/C=C/c2ccccc2)CC1 12898067 DTYDPBMLHSXNGJ-QPJJXVBHSA-N 394.902 3.973 0 40 GHAB Cc1cc(C(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c(C)n1Cc1ccco1 13095438 QNIXRSMUWQCNLW-JWTNVVGKSA-N 397.471 3.868 0 40 GHAB COc1ccccc1/C=C/c1nn2c([C@H]3COc4ccccc4O3)nnc2s1 4384015 NCUJLUKDXQWZNK-SXSDINLZSA-N 392.440 3.877 0 40 GHAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1cccc(OCC(F)(F)F)c1 65488506 NMGURPJBXHCFFP-DYVFJYSZSA-N 378.394 3.995 0 40 GHAB CC(=O)c1ccc(N2CCN(C[C@@H](O)c3ccccc3C(F)(F)F)CC2)cc1 65479449 YZWUAHBDQGMJON-HXUWFJFHSA-N 392.421 3.764 0 40 GHAB Cc1ccc(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1F 14255144 KNOMJPJEJZYOMN-INIZCTEOSA-N 378.856 3.907 0 40 GHAB COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1OC 5451907 SGWQKIAHARXSAP-AWEZNQCLSA-N 397.431 3.777 0 40 GHAB FC(F)(F)c1nnc2ccc(NCCc3ccc(Br)s3)nn12 14315959 OKOJBJICBRQUAE-UHFFFAOYSA-N 392.204 3.622 0 40 GHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4732042 NWJJEFBJZDXLRU-CQSZACIVSA-N 381.432 3.941 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(-n2ccnc2)cc1 7050252 XYBNLNFEARLOHM-MRXNPFEDSA-N 381.501 3.791 0 40 GHAB Cc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 7683402 FLXJREMJZDGNKR-UHFFFAOYSA-N 376.338 3.612 0 40 GHAB CCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O 7653603 JLMCNRFQZCODDT-SFHVURJKSA-N 383.851 3.699 0 40 GHAB Cc1ccccc1CCNC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 7684506 QLAFEIXUYHARNG-NRFANRHFSA-N 394.515 3.652 0 40 GHAB COc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCOCC2)cc1 19897886 MCKJDBMPIBISHQ-QFIPXVFZSA-N 396.531 3.796 0 40 GHAB biogenic CC(=O)N[C@H]1C(=O)N(CCCOc2ccc(Cl)cc2)c2ccc(Cl)cc21 8048047 OPEJQYRYNBVDCJ-GOSISDBHSA-N 393.270 3.986 0 40 GHAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(NC2CC2)s1 8133153 JIESKARNKKWFLT-UHFFFAOYSA-N 388.474 3.792 0 40 GHAB O=C(CSCCCn1c(=O)[nH]c2ccccc21)N[C@@H]1CCCc2ccccc21 8325497 WDFRSYKJUQKLLN-GOSISDBHSA-N 395.528 3.647 0 40 GHAB CCn1c(SCc2nc3ccsc3c(=O)[nH]2)nnc1-c1cccs1 8569529 QPYMINLDHZYLKQ-UHFFFAOYSA-N 375.504 3.617 0 40 GHAB CC(=O)Nc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 8705406 VDWBLHINWBJDGI-UHFFFAOYSA-N 380.366 3.654 0 40 GHAB O=C(c1cc2cc(Br)ccc2o1)N1CCC[C@H]1[C@H](O)C(F)(F)F 84451747 LYLOEEXBOPIASL-GWCFXTLKSA-N 392.171 3.723 0 40 GHAB Cc1ccc(-n2c(CCC(=O)Nc3nccs3)nc3ccccc3c2=O)cc1 9647390 RGIGPYNRJDLEEL-UHFFFAOYSA-N 390.468 3.722 0 40 GHAB C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(c2nnc[nH]2)CC1 95964369 GADUYZMUQCSPRX-LLVKDONJSA-N 392.385 3.814 0 40 GHAB CCCC[C@@H](NC(=O)NCC)C(=O)N[C@H](C)c1cccc(Br)c1 89950220 FCTMSWHQRWYHNT-IUODEOHRSA-N 384.318 3.504 0 40 GHAB Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1C 408672623 OCTWCNDIWCNAII-LVNJIZSUSA-N 386.451 3.867 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3ccsc3)C[C@H]2N1Cc1ccc(F)cc1 306143106 XTIQFCLEPXALJV-VQTJNVASSA-N 381.476 3.770 0 40 GHAB CN1CCN(Cc2ccco2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306136775 QCWDXKIBPXIIOW-OAQYLSRUSA-N 391.450 3.617 0 40 GHAB O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1Cl 408625809 FRLPIOUUGFBCCJ-UHFFFAOYSA-N 383.256 3.891 0 40 GHAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 33570575 QSEGEACFDVIRCW-INIZCTEOSA-N 382.460 3.727 0 40 GHAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc(F)ccc1F 71980538 GBILYZCDTZYPFB-DBCMNUGHSA-N 381.419 3.823 0 40 GHAB Fc1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)cc1Cl 38561223 OHQAHXZRGAPCOI-UHFFFAOYSA-N 393.915 3.798 0 40 GHAB CCOc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Br)cc2)C1=O 36635685 BJSZDAPYVBDMCW-CQSZACIVSA-N 389.249 3.592 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(O)=Nc2nnc(-c3ccco3)n21 72403266 WCBQOGWYILGPLL-NSHDSACASA-N 375.747 3.502 0 40 GHAB COc1ccc(-n2nc3cc(Br)c(N)c(Br)c3n2)cc1 41091577 BJIPSWQIFFKQLB-UHFFFAOYSA-N 398.058 3.536 0 40 GHAB CCOc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1Cl 224753441 RBEHQYGRLHSMCV-UHFFFAOYSA-N 388.895 3.501 0 40 GHAB O=C(Cc1nsc2ccccc12)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 574073869 QQKDNNAMAONLKD-HZPDHXFCSA-N 398.488 3.827 0 40 GHAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 223220178 WECUKFLBUCXNBE-SFTDATJTSA-N 397.592 3.922 0 40 GHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc2c(c1)oc1ccccc12 224282664 NLGWAMXDYDHVHO-HDICACEKSA-N 388.423 3.866 0 40 GHAB CC12CN3CC(C)(CN(C1)C3c1cn(Cc3ccccc3)c3ccccc13)C2O 19320403 CTNZDSBHWAIMPR-UHFFFAOYSA-N 387.527 3.707 0 40 GHAB biogenic Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccn2)cc1 222561291 CXQITMOWCVGHQK-UYRXBGFRSA-N 377.469 3.539 0 40 GHAB Cc1ccc(C(=O)NCC2CCCCC2)cc1S(=O)(=O)N1CCCCCC1 224025749 IUYHXNPBXHDGLF-UHFFFAOYSA-N 392.565 3.870 0 40 GHAB CCOC(=O)c1cccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 224943390 QCZNPRDGAPVTDC-UHFFFAOYSA-N 388.272 3.995 0 40 GHAB O=C(Nc1cccc(F)c1)[C@@H]1CN(C(=O)Nc2ccccc2)CC12CCOCC2 96241071 BCYSGPQRGUAANP-IBGZPJMESA-N 397.450 3.725 0 40 GHAB CCC(=O)O[C@@H](O[C@@H](C(=O)O)[P@@H](=O)CCCCc1ccccc1)C(C)C 95830680 LIEAASLUJOIEEI-RBUKOAKNSA-N 384.409 3.932 0 40 GHAB C[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 95482268 MBEDZCIGIHEMFG-LBPRGKRZSA-N 389.814 3.955 0 40 GHAB Cc1cccc(Cl)c1NC(=O)Cn1ccn2nc(-c3cccs3)cc2c1=O 90610038 TXEPBJYNIWNJCG-UHFFFAOYSA-N 398.875 3.825 0 40 GHAB C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)n1cc(CCC[C@@H](C)O)nn1 641104479 PEVWZUUHOKQMCO-MNOVXSKESA-N 396.278 3.948 0 40 GHAB C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1cccc(COC2CCOCC2)c1 660642153 DBPZQXKTQKMJQL-GAJHUEQPSA-N 394.515 3.910 0 40 GHAB O=C(N1CC2(C[C@@H](OCc3cccnc3)CS2)C1)C12CC3CC(CC(C3)C1)C2 575403058 IEJBCEXVERGAPT-KTKXKACQSA-N 398.572 3.901 0 40 GHAB O=C(NCc1ccncc1OC[C@@H]1CCOC1)N[C@H]1CCCC12CCCCC2 585094479 MXYPYQXQSQSGAN-XLIONFOSSA-N 387.524 3.799 0 40 GHAB Cc1ccc([C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)N(C)C)cc1 38629450 KPGJESWKARFPTF-KRWDZBQOSA-N 386.439 3.595 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)c(C)c1 5154087 OMLYCZUELYRJLV-UHFFFAOYSA-N 384.501 3.638 0 40 GHAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)OCC(=O)C(C)(C)C 5233254 SOLZVELIBAOIAP-NRFANRHFSA-N 383.488 3.682 0 40 GHAB COc1ccc(C2(C(=O)N[C@H](c3ccc(F)c(F)c3)c3nccn3C)CC2)cc1 12115014 RLGPMZIVRRFMFK-LJQANCHMSA-N 397.425 3.644 0 40 GHAB c1csc(-c2nc(N3CCN(C4CCCC4)CC3)ncc2-c2cnccn2)c1 12184710 FHNIXEPPVIANEH-UHFFFAOYSA-N 392.532 3.727 0 40 GHAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)CC(C)(C)C)C[C@@H](C)O1 12240643 WYPQXRTVTDZDGK-UXLLHSPISA-N 388.556 3.656 0 40 GHAB Cc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)NC4CC4)n23)cc1 12462060 FJNXFEPZSSBPFX-UHFFFAOYSA-N 389.484 3.624 0 40 GHAB CCOc1ccc(CCNC(=O)CCC(=O)c2ccc(F)cc2)cc1OCC 12946128 LSWHZKULLJZYNZ-UHFFFAOYSA-N 387.451 3.945 0 40 GHAB CC[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O 13711294 WHQLQIZJSQWPSK-MRXNPFEDSA-N 396.896 3.532 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)C[C@@H]2C=CCC2)CC1 19288905 YAPFCYBGHRXHTD-QGZVFWFLSA-N 396.510 3.663 0 40 GHAB Cc1ccc(S(=O)(=O)C[C@H](CN2CCC(C)CC2)N2CCC(C)CC2)cc1 19363727 XNAOGRWKUALYNB-NRFANRHFSA-N 392.609 3.601 0 40 GHAB CC(=O)N1c2ccc(NC(=O)[C@H]3CC(c4ccc(Cl)cc4)=NO3)cc2C[C@H]1C 19497808 GPQRFUDHYMCPBD-MPBGBICISA-N 397.862 3.769 0 40 GHAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)[C@H]2C[C@@H]2C)C1 19529860 FSYBVIZTRUHGCI-NVVBAYIOSA-N 396.487 3.712 0 40 GHAB CCN1CCC[C@](O)(c2nc(C)c(CCOc3ccc(F)cc3)s2)CC1 19705455 QMRNKDYWPKQTBP-HXUWFJFHSA-N 378.513 3.906 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(C)o4)no3)C2)cc1 1364695 AXSUFXOJVZOSLB-OAHLLOKOSA-N 387.461 3.515 0 40 GHAB COc1cccc(/C=C/C(=O)Nc2ccccc2I)c1 3351972 MYGWNHGIWORXLG-MDZDMXLPSA-N 379.197 3.952 0 40 GHAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 19135395 GMCAMMSESUWYFU-FQEVSTJZSA-N 394.519 3.625 0 40 GHAB COc1ccccc1C(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 19590886 XUGYGSGBDUWUSE-UHFFFAOYSA-N 394.515 3.973 0 40 GHAB COc1cc2c(cc1CN1CC[C@]3(CCc4ccccc4C(=O)N3)C1)CCC2 19550561 DBCIVQFSBWOMPZ-XMMPIXPASA-N 376.500 3.505 0 40 GHAB C[C@H](NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCO2 5859515 IWYGQNHCDZRSCW-AWEZNQCLSA-N 383.444 3.747 0 40 GHAB CC(C)c1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cnn1-c1ccc(F)cc1 24545943 VJJZSVLCLZDSSK-UHFFFAOYSA-N 379.395 3.557 0 40 GHAB COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1ccccc1SC 7458374 DIERLPWYVXRIJS-UHFFFAOYSA-N 381.457 3.524 0 40 GHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(OCC)cc3)ccc21 8840561 HBSSZTQVWVRUCD-UHFFFAOYSA-N 388.489 3.575 0 40 GHAB Cc1ccc(-n2nc(C)c3c(=O)c(C(=O)N4c5ccccc5C[C@@H]4C)c[nH]c32)cc1 9316371 BALNOSHYLHUVKZ-HNNXBMFYSA-N 398.466 3.922 0 40 GHAB COc1ccc(-n2cc(C(=O)OCc3cccnc3)c3ccccc3c2=O)cc1 21359944 JKGDWYLQTBOGSO-UHFFFAOYSA-N 386.407 3.751 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618254666 CGWWDRWQPUVWOO-SCOAYWHSSA-N 379.847 3.976 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)C1(c2ccccc2)CCOCC1 575611575 WXNWHTUZOSVEIZ-GOSISDBHSA-N 397.496 3.906 0 40 GHAB COc1cc(NC(=O)c2ccc(Br)o2)ccc1N1CCCCC1=O 5441513 YERXEOJZLLBIAP-UHFFFAOYSA-N 393.237 3.820 0 40 GHAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccccc1F 6251748 BVHAKGHOMVMLAM-UHFFFAOYSA-N 387.219 3.958 0 40 GHAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3nccs3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242908 YVUPYPWPRPQGMR-RDGPPVDQSA-N 395.532 3.574 0 40 GHAB CN1CCN(C(=O)c2cnc(-c3ccccc3)s2)c2nc3ccccc3nc21 40132403 IWAHAPIQLLMAOV-UHFFFAOYSA-N 387.468 3.850 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)N[C@H](C)CCc2ccccc2)CC1 40103973 MZDUNEIRPVHACC-LJQANCHMSA-N 380.536 3.971 0 40 GHAB CCOC(=O)Nc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 40120669 ZMJRDAUJJISKBU-UHFFFAOYSA-N 382.464 3.605 0 40 GHAB COCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20727087 PTSZJEZDMIXDEB-NRFANRHFSA-N 392.499 3.502 0 40 GHAB O=C(OCc1cccc(Br)c1)[C@@H]1CCCN(c2ccccn2)C1 51912696 GXRLICJVKDOZST-OAHLLOKOSA-N 375.266 3.804 0 40 GHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1 32579386 RZAOSDPDLLOEAD-NSHDSACASA-N 389.431 3.758 0 40 GHAB COC(=O)c1ccc(COC(=O)CCc2nnc(-c3ccc(C)cc3)o2)cc1 32777466 GKZHOUPWJFZBRT-UHFFFAOYSA-N 380.400 3.508 0 40 GHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NCCSc1ccccc1 32779662 SLFLBKJXBPEDGQ-OAHLLOKOSA-N 392.546 3.585 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1Cl 21699273 ZIPPKXFLMNGJLW-ZDUSSCGKSA-N 378.881 3.506 0 40 GHAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)cc1)C1=C(O)CC(C)(C)CC1=N2 102664118 ZBKCUFWSYQBKLC-OAHLLOKOSA-N 399.878 3.588 0 40 GHAB CCN1CCC[C@@H]1CNC(=S)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 32909092 OWEWYUVKUZQWHC-NQIIRXRSSA-N 393.560 3.601 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(NC(=O)C2CC2)s1 22416395 OQHMGQVPCRFYOU-UHFFFAOYSA-N 388.489 3.776 0 40 GHAB COc1cc(CNc2ccc(N(C)C)cc2)ccc1OCC(=O)NC(C)(C)C 679407 MKFLKXVOLBKFQB-UHFFFAOYSA-N 385.508 3.667 0 40 GHAB CCN(CC)c1ccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc(F)c3)oc2c1 651831 SDBBYLLRRZSNOY-LVWGJNHUSA-N 395.434 3.927 0 40 GHAB COCc1c(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)oc2ccccc12 22919972 QIWQAROXPTVQQP-UHFFFAOYSA-N 395.383 3.828 0 40 GHAB CCOc1ccc(N(C(C)=O)[C@@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1 970092 TUFUQFNPPAUBEU-LJQANCHMSA-N 384.457 3.973 0 40 GHAB O=C(CCc1cc2ccccc2o1)NC[C@H](c1cccs1)N1CCOCC1 23596833 PORYZQLUXWTBDY-GOSISDBHSA-N 384.501 3.617 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccc(O)cc1)N1CCC1=O 1020799 HPFGCKQBSBLSMF-QHCPKHFHSA-N 386.451 3.571 0 40 GHAB CN(c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1)S(C)(=O)=O 628127 OPAKKZSQYIRTII-UHFFFAOYSA-N 398.937 3.857 0 40 GHAB Cc1cccc2cc(CN(Cc3cccnc3)C(=S)NCC(C)C)c(=O)[nH]c12 1224283 QBYUABFEECDQST-UHFFFAOYSA-N 394.544 3.764 0 40 GHAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc2cc(C)ccc2[nH]1 24948356 XJCSMHWRWKHVPI-UHFFFAOYSA-N 393.487 3.820 0 40 GHAB CCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1-n1cccc1 4518454 URLJGGXVYSSMRK-UHFFFAOYSA-N 396.303 3.991 0 40 GHAB O=C(CSc1nnc(-c2cccs2)n1-n1cccc1)Nc1cccc(F)c1 4586028 GXZXSQREUZVJTA-UHFFFAOYSA-N 399.476 3.989 0 40 GHAB CN1C[C@@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@H]1c1ccccc1 106920672 QYGUSLVJRGZLOY-TXTKFYIRSA-N 397.950 3.581 0 40 GHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Cl)c(Cl)c1 25392017 IKAPOPRIXNDXMR-OAHLLOKOSA-N 385.316 3.858 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2N)cc1Cl 4854946 XRXPDELKLHOZLC-UHFFFAOYSA-N 379.917 3.732 0 40 GHAB CC(C)CCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccccc1 4890158 FMFOZDBEXFWOIF-QGZVFWFLSA-N 388.537 3.682 0 40 GHAB CC1CCN(C(=O)CSc2nnc3c4ccccc4nc(C(C)(C)C)n23)CC1 4898227 PWXFMXPWIBDKHG-UHFFFAOYSA-N 397.548 3.926 0 40 GHAB CC(C)c1cccc(O[C@H](C(=O)N2CCC(C(N)=O)CC2)c2ccccc2)c1 107101569 ZGYTZLNDCVDZLP-NRFANRHFSA-N 380.488 3.654 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccc(I)c(C)n2)c1C 6968345 NKNAKEHLEDKWDT-UHFFFAOYSA-N 396.228 3.629 0 40 GHAB CC[C@@H](C(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1ccccc1 7156305 SKSMJSIJUQEPHQ-MRXNPFEDSA-N 382.485 3.872 0 40 GHAB CCOc1ccc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc1OC 7274051 NIWXHRAVRJHIMR-KRWDZBQOSA-N 376.478 3.549 0 40 GHAB CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)cc1 56646895 OYTLQMKGNOEKLW-OWCLPIDISA-N 376.501 3.743 0 40 GHAB CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 26387800 YIJHGPNGSNGQPW-UHFFFAOYSA-N 396.468 3.788 0 40 GHAB COc1ccccc1C[C@@H]1SC(=O)N(CCOc2ccc(F)cc2)C1=O 8169204 CKMVOWMYGWUFIS-KRWDZBQOSA-N 375.421 3.520 0 40 GHAB CCCn1c(SCC(=O)N[C@H]2CCc3ccccc32)nc2ccsc2c1=O 57425387 HWJIIXOSTLMJQX-HNNXBMFYSA-N 399.541 3.764 0 40 GHAB C[C@H]1CCCN(C[C@@H](C)NC(=O)N(C)Cc2ccccc2OC(F)(F)F)C1 58155773 LTMZFMRMGZBBPA-LSDHHAIUSA-N 387.446 3.847 0 40 GHAB CCN(CC)C(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 56340440 XCEQIJCKWXZIJT-WYMLVPIESA-N 382.460 3.838 0 40 GHAB CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 101708107 IXYSNJPFISXRPY-QKLQHJQFSA-N 384.520 3.633 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N=c1[nH]c2ccccc2[nH]1 12542019 QVYVQDUSOZVDHQ-IBGZPJMESA-N 392.503 3.675 0 40 GHAB COc1ccc(CNC(=O)N2CCc3cc(Br)ccc32)cc1OC 58300412 PJXUXZAMVZUOKM-UHFFFAOYSA-N 391.265 3.739 0 40 GHAB COc1ccc2nc(C)c(C(=O)N3CCN(c4ccccc4F)CC3)cc2c1 27501294 CFRBQKYBWNLEPS-UHFFFAOYSA-N 379.435 3.653 0 40 GHAB CCc1ccc2oc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cc(=O)c2c1 28293006 FCJDGCZDYBEGIP-HXUWFJFHSA-N 390.483 3.922 0 40 GHAB COc1ccc(Cl)cc1NCC(=O)Nc1cc2c(cc1Cl)OCCO2 11125504 SZAWNDDLMZZEFM-UHFFFAOYSA-N 383.231 3.824 0 40 GHAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1ccc2c(c1)OCCO2 3246196 QVBLSCUAHVDCGN-UHFFFAOYSA-N 399.418 3.591 0 40 GHAB O=C(COC(=O)COc1ccccc1Cl)Nc1ncc(Cl)cc1Cl 3259217 LOFIMZYHINNUDA-UHFFFAOYSA-N 389.622 3.603 0 40 GHAB Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 20486696 URKBGDQOHLCKIT-ROUUACIJSA-N 388.533 3.644 0 40 GHAB COc1cccc2cc(/C=C/C(=O)OCC(=O)N3CCc4ccccc43)oc12 11578831 IMRKESMAEHIONZ-MDZDMXLPSA-N 377.396 3.587 0 40 GHAB Cn1cccc1[C@H](CNC(=O)Cc1cccs1)N1CCc2ccccc2C1 21151572 FCEWLAISHZWWCR-NRFANRHFSA-N 379.529 3.545 0 40 GHAB CC(C)(C)OC(=O)N(CCCNC(=O)C1CCCCC1)Cc1cccnc1 47232763 KNBPUJGIYXHXPM-UHFFFAOYSA-N 375.513 3.905 0 40 GHAB O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCSCC1 12388931 VTLWFSBURAEJOU-UHFFFAOYSA-N 388.436 3.827 0 40 GHAB CCn1cc(Br)c(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)n1 28237430 XMRGVJHSSVXFCM-ZDUSSCGKSA-N 387.281 3.947 0 40 GHAB CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1 48272964 CAXVNDBLBZHGTD-LPHOPBHVSA-N 376.497 3.672 0 40 GHAB S=C(NCc1nc(-c2cccc(Br)c2)no1)Nc1ccccc1 95482211 IBXZLAGVPDIGKU-UHFFFAOYSA-N 389.278 3.986 0 40 GHAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(COc2cccc(F)c2)c1 48326195 NIMOQAAYFNNUFW-CQSZACIVSA-N 382.391 3.755 0 40 GHAB C[C@@H](NC(=O)Cn1c(S)nnc1-c1cccs1)c1ccc(Cl)cc1 12860124 NRXUOGOUABUFAI-SNVBAGLBSA-N 378.910 3.826 0 40 GHAB Cc1cc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)ccc1Br 12812419 HSNVCAFCOAOSFE-CYBMUJFWSA-N 377.213 3.961 0 40 GHAB O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1ccc(F)c(Cl)c1 22607880 BQYCUFUFCUSYHN-UHFFFAOYSA-N 391.793 3.888 0 40 GHAB COCCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nc2ccccc21 3499062 OTCZFKLZBADWKV-GOSISDBHSA-N 395.528 3.969 0 40 GHAB CCCc1cc(=O)oc2c(C(=O)[C@H](C)CC)c3c(c(O)c12)C[C@@H](O)C(C)(C)O3 13459463 IWAUBOJXTGEZNN-BXUZGUMPSA-N 388.460 3.754 0 40 GHAB endogenous,in-man NC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CCCCC2 4019028 VERYVWIEMOJHBP-UHFFFAOYSA-N 378.881 3.787 0 40 GHAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccco3)[C@H]2C(=O)N1c1ccc(Cl)cc1 4166054 ZFLJYOAQDAVHEY-GUDVDZBRSA-N 394.814 3.984 0 40 GHAB CC(=O)N[C@@]1(CC(=O)c2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21 13628385 LBVLJKMTNGJQNN-RUZDIDTESA-N 398.462 3.838 0 40 GHAB CCSC[C@@H](C)N(C)Cc1nnc(C(=O)Nc2ccc(CC)cc2)s1 72305354 XWTGBGTWADIQHZ-CYBMUJFWSA-N 378.567 3.926 0 40 GHAB Cc1ccc(CCC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c(C)c1 72303286 UUUPATPRGSVLMO-VSKRKVRLSA-N 376.500 3.509 0 40 GHAB Cc1sc2nc(-c3cccs3)nc(NCCCc3n[nH]c(N)n3)c2c1C 72311001 KPOQTQBNGZATMR-UHFFFAOYSA-N 385.522 3.782 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1)C(=O)OC 5267711 JFMAWPSKURYTOS-PXAZEXFGSA-N 382.420 3.599 0 40 GHAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\C1=Cc2cc(Cl)ccc2OC1 14184137 VNYMCUZPMRVPHQ-UUASQNMZSA-N 381.771 3.732 0 40 GHAB O=C(Nc1cccc(F)c1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5439394 SQTUHIMQNDOXBO-UHFFFAOYSA-N 382.844 3.661 0 40 GHAB CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc(F)cc4)n3)cc21 19796490 UGRIAAZUJOEEKH-UHFFFAOYSA-N 397.431 3.947 0 40 GHAB COc1ccc(CCC(=O)N2CCC(c3nc4ccccc4n3C)CC2)cc1 96232584 UNNHMCAQYONWNE-UHFFFAOYSA-N 377.488 3.921 0 40 GHAB Fc1ccccc1-c1nnc(SCc2nnnn2-c2ccccc2)n1C1CC1 9448173 OXJWAIOGYLVQBP-UHFFFAOYSA-N 393.451 3.687 0 40 GHAB Cc1cccc(NC(=O)c2nnn(CC(=O)Nc3cccc(Cl)c3)c2C)c1C 67322334 CEURMJHFPGVOCL-UHFFFAOYSA-N 397.866 3.748 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)CCN(C)Cc2ccccc2N2CCCC2)c1 15573789 SHKZDQCXXCBFKO-UHFFFAOYSA-N 386.561 3.809 0 40 GHAB COc1ccc(NC(=O)CCOc2cccc(Br)c2)c(OC)c1 15654015 DMJUYLXFNDPLIY-UHFFFAOYSA-N 380.238 3.874 0 40 GHAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)N(C)C2=S)cc1 409034247 MZAKBCNJPATZCM-PDGQHHTCSA-N 398.484 3.707 0 40 GHAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1C1CC1 7799461 JZJJAUFUKIXASF-CYBMUJFWSA-N 397.508 3.572 0 40 GHAB CC(C)Cn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccco1 8389385 DUPVCXGBKHXXLB-UHFFFAOYSA-N 382.489 3.876 0 40 GHAB O=C(CN1CCCC1=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 8301361 BEVKZLRDCIZVKZ-QGZVFWFLSA-N 395.890 3.692 0 40 GHAB O=C(C[S@](=O)Cc1cccc2ccccc12)N1CCC(c2ccccc2)=N1 84525279 KSABPLGVSNXROL-MHZLTWQESA-N 376.481 3.725 0 40 GHAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 85413616 FIHRXCSVOUKRFZ-WMLDXEAASA-N 390.313 3.878 0 40 GHAB CNC(=O)c1cccc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1 95963012 PALQUUVDHMWMOQ-UHFFFAOYSA-N 395.846 3.926 0 40 GHAB CC(C)(Oc1ccc(Br)cc1)C(=O)NCc1ccc(C(=O)O)cc1 20144796 FSCXIROADMIOSS-UHFFFAOYSA-N 392.249 3.621 0 40 GHAB CN(C(=O)CSc1nncn1C1CC1)C(c1ccccc1)c1ccccc1 9982224 KSOXWDFZNPGHJY-UHFFFAOYSA-N 378.501 3.953 0 40 GHAB O=C(COc1ccc(Cl)cc1Br)NCCOc1ccccc1 22030119 FHCBNZRQHFTVOK-UHFFFAOYSA-N 384.657 3.677 0 40 GHAB CC(C)Oc1cncc(C(=O)OC2CCN(c3nncc4ccccc34)CC2)c1 89888000 VCAFTKHDKLWDNQ-UHFFFAOYSA-N 392.459 3.638 0 40 GHAB Cc1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 22274650 CCBZSEWPDQMZFT-UHFFFAOYSA-N 398.459 3.968 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)N(C)[C@@H](C)c3ccc(Cl)cc3)cnc12 24455531 BCRDSXIDMZDLRW-HNNXBMFYSA-N 383.879 3.968 0 40 GHAB CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 408708007 NEUHFRCUSPNPGV-IBGZPJMESA-N 380.488 3.706 0 40 GHAB CCCC(=O)Nc1cccc(OCc2cc(=O)n3c4c(sc3n2)CCCC4)c1 35372119 CNRZGULKEWCUCY-UHFFFAOYSA-N 397.500 3.952 0 40 GHAB C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(CN2CCCC[C@H]2C)cc1 32937014 PVPLCQFSDIZFKO-HZPDHXFCSA-N 385.533 3.880 0 40 GHAB CCCCc1ccc(NC(=O)[C@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)cc1 2096454 WIULVRVOLUTODV-KNQAVFIVSA-N 392.455 3.828 0 40 GHAB biogenic CN(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72214422 VTKKZYKRGZBBRB-UHFFFAOYSA-N 393.484 3.941 0 40 GHAB C[C@H]1CN(C(=O)c2c(C(F)F)nc3cnccn23)CC[C@@H](c2ccccc2)O1 1553976015 PKHSAHSDGUZSGL-ZFWWWQNUSA-N 386.402 3.659 0 40 GHAB O=C(CN1CCC(c2cccc(Br)n2)CC1)Nc1ccccc1F 72360859 CWJMYRQUVPLIKT-UHFFFAOYSA-N 392.272 3.801 0 40 GHAB CC[C@H](NC(=O)COc1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1 218916036 PHTVSMJRPKOTIY-FQEVSTJZSA-N 397.496 3.890 0 40 GHAB CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 225460097 FGVMIJQZZBBVLO-UHFFFAOYSA-N 388.514 3.508 0 40 GHAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 223247785 QFTGXYWVLQSDAO-SFTDATJTSA-N 397.592 3.922 0 40 GHAB C[C@@H]1CN(C(=O)c2ccc(CNC(=O)C3=C(Cl)CCCC3)cc2)C[C@@H](C)O1 63331173 ZKGLCFYUVNWMEQ-HUUCEWRRSA-N 390.911 3.619 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C 225071633 AENSTRLWEBJXAQ-HXUWFJFHSA-N 382.504 3.707 0 40 GHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(OC)cc1 225156920 OOPTUXHMWCQNHU-JOCHJYFZSA-N 383.488 3.927 0 40 GHAB CSCC[C@@H](C(=O)N[C@H](CC(C)C)c1nnc2ccccn12)n1cccc1 575443644 YSZOQALJYPLPAQ-SJORKVTESA-N 385.537 3.729 0 40 GHAB CCCc1nnsc1C(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200221 JVOKYIZUPOIMFC-HUUCEWRRSA-N 388.493 3.780 0 40 GHAB C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccnc(O)c1 502311754 SPHGLBYXZBAQCZ-JXFKEZNVSA-N 389.455 3.526 0 40 GHAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)nc1 257206531 BDWMDRUEHWRTFU-LJQANCHMSA-N 376.460 3.697 0 40 GHAB O=C(N=c1cc[nH]cc1Br)NC1(c2c(F)cccc2F)CCC1 626468391 CANIYSICVIGHGS-UHFFFAOYSA-N 382.208 3.745 0 40 GHAB Cc1cc(C(=O)Nc2ccc3sc(C(=O)O)cc3c2)n(C2CCOCC2)n1 630133366 FCRMOGAFFKBCHU-UHFFFAOYSA-N 385.445 3.708 0 40 GHAB O=C(N1CC[C@@H](S(=O)(=O)c2ccccc2)C1)C1(c2cccs2)CCCC1 96025365 GTWHLKVDPDRGRF-QGZVFWFLSA-N 389.542 3.635 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1 96096668 XKFZUXKBFULKSQ-UHFFFAOYSA-N 389.502 3.675 0 40 GHAB O=C(c1cc2ccccc2[nH]1)N1Cc2cccn2C[C@H](OCc2cccnc2)C1 575403947 JDLJBZAPZYELON-FQEVSTJZSA-N 386.455 3.606 0 40 GHAB CCn1cc(C(=O)OCc2ccc3c(c2)OCCO3)c(=O)c2cc(Cl)ccc21 62277261 RCEJVGQTIYEHBI-UHFFFAOYSA-N 399.830 3.803 0 40 GHAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C[C@@H]1CCCO1 905356 RNVYOLIZNLLPSF-HNNXBMFYSA-N 398.488 3.756 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nc(CNc3cccc(C)c3)n[nH]2)cc1 5448385 YWVDJWIOCQBSFL-UHFFFAOYSA-N 395.488 3.659 0 40 GHAB CCc1[nH]c2ccc(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cc2c1C 12203455 GZCOAHCXFXKWRS-UHFFFAOYSA-N 391.471 3.763 0 40 GHAB COc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c(OC)c1 12651324 RGVUSCDUZDWMEO-UHFFFAOYSA-N 388.427 3.998 0 40 GHAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)c2ccc(N(C)C)cc2)c1 14404591 OERRFXLGMZYPLC-UHFFFAOYSA-N 377.448 3.597 0 40 GHAB COc1cc(CCC(=O)N[C@H](Cc2ccsc2)c2nc(C)cs2)on1 19240167 WJIOXXRNBGRKGE-CQSZACIVSA-N 377.491 3.542 0 40 GHAB CC1CCC(N2CCc3nc([C@H]4CCCN4C(=O)C4CCC4)nc(O)c3C2)CC1 19495976 YZMSIZQOZDUXKP-MKJPBZQASA-N 398.551 3.583 0 40 GHAB CCOc1ccc([C@H](C)N(C)C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 19532626 YZEBCOOYVHBJHJ-RDJZCZTQSA-N 384.451 3.797 0 40 GHAB Cc1cc2cc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)cc(Cl)c2o1 19661120 UXFVNZDYJLAGTL-UHFFFAOYSA-N 392.864 3.613 0 40 GHAB Cc1cc(C)cc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)c1 19921055 GWBBZAWSGOFAEN-RMKNXTFCSA-N 377.532 3.963 0 40 GHAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)c2c(F)cccc2F)CC1 12254454 KUIFUBVOLLWIOM-UHFFFAOYSA-N 395.409 3.632 0 40 GHAB CCC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(OC)cc1)CN2Cc1ccccc1 19499019 KWWMCIJJTPGCHO-VABKMULXSA-N 378.516 3.922 0 40 GHAB Cc1nc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cs1 5834666 ZZMQKVGQWPZZTJ-UHFFFAOYSA-N 380.882 3.810 0 40 GHAB Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)N1CCCCC1 6846475 AMWWAKAFNOICGZ-UHFFFAOYSA-N 394.443 3.700 0 40 GHAB Cc1ccc(NC(=O)NCCn2nc(-c3cnccn3)cc2C2CC2)cc1C 238916106 SNQRYNZUCIJABC-UHFFFAOYSA-N 376.464 3.656 0 40 GHAB COc1ccc2oc(=O)c(C(=O)NCCc3c(C)[nH]c4ccc(F)cc34)cc2c1 1075057 UGJADYJBRPJNGX-UHFFFAOYSA-N 394.402 3.703 0 40 GHAB CCOC(=O)[C@@H](C)Sc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2 2496907 ZMXOHWCYIRGRIN-SNVBAGLBSA-N 396.921 3.578 0 40 GHAB CCOc1ccc(-c2nnc(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)o2)cc1 2720342 FKVBOJZABKAMEA-ZIAGYGMSSA-N 375.494 3.732 0 40 GHAB Cc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C(C)C)cc1 4036071 GZSBYNUJVMPMGU-FQEVSTJZSA-N 399.516 3.700 0 40 GHAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1cccc(F)c1 4106065 MGZZWUGDYZDALV-AREMUKBSSA-N 389.839 3.679 0 40 GHAB COc1ccc(OCC(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)cc1 5077420 BEKGQTVUKPOJKT-UHFFFAOYSA-N 399.447 3.784 0 40 GHAB Cc1cccc(-n2nnc3c(=O)n(Cc4ccc(Cl)c(Cl)c4)cnc32)c1 5057013 MIBZHCNKLKRFLE-UHFFFAOYSA-N 386.242 3.641 0 40 GHAB CS(=O)(=O)N1CCCc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 5375548 SNGYFSPXFZAUHN-UHFFFAOYSA-N 388.533 3.554 0 40 GHAB COc1cc(OC)cc(-c2nnc3c4c5c(sc4ncn23)COC(C)(C)C5)c1 12402470 IOSKOMPLAKYGNQ-UHFFFAOYSA-N 396.472 3.875 0 40 GHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3F)cc21 17286655 QZSBWFHDNKLWSG-UHFFFAOYSA-N 376.453 3.570 0 40 GHAB Cc1cccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccccc3)s2)c1C 206682085 YDZLSIXFPDYUOY-UHFFFAOYSA-N 392.480 3.851 0 40 GHAB O=C(CN1CCN(c2ccccc2F)C1=O)Nc1ccc(OC(F)(F)F)cc1 49026161 SYZRNACWIYLJPU-UHFFFAOYSA-N 397.328 3.605 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1Cl 7375262 MPTXJROYNNWIAU-UHFFFAOYSA-N 390.686 3.590 0 40 GHAB CCOc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3cccc(O)c3)C[C@@H]21 10214567 WKUMOVCDMHNWCB-FQEVSTJZSA-N 393.487 3.756 0 40 GHAB CCC(C)(C)OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22917998 LMNSJJFDJWHQBI-QHCPKHFHSA-N 396.575 3.960 0 40 GHAB COc1cccc([C@@H]2CCCN2C(=O)C[C@H]2Sc3ccccc3NC2=O)c1 40038972 CHKFLXCWXHIMQD-PKOBYXMFSA-N 382.485 3.862 0 40 GHAB C[C@H]1CCc2sc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)cc2C1 30539779 JQFJVTHQRVORCJ-QFBILLFUSA-N 384.545 3.676 0 40 GHAB Cc1ccc(NC(=O)C(=Cc2csnn2)C(=O)Nc2ccc(C)cc2)cc1 40139665 FLNSEJVXEOIJRA-UHFFFAOYSA-N 378.457 3.816 0 40 GHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CCN(c2ccc(O)cc2)CC1 40103903 MNRUELBMWJEIDI-UHFFFAOYSA-N 395.459 3.788 0 40 GHAB COc1cc(C(=O)N(Cc2cccc3[nH]ccc23)C2CC2)cc(OC)c1OC 32102321 GFWHMGVZZZDNEJ-UHFFFAOYSA-N 380.444 3.999 0 40 GHAB CCN1CCN(c2ccccc2NS(=O)(=O)c2ccc(C)c(Cl)c2)CC1 32411424 HZZVHGYCBHEOHQ-UHFFFAOYSA-N 393.940 3.591 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1nc(-c2cccs2)no1 22622490 ZLSCWPICCRGWFX-UHFFFAOYSA-N 399.472 3.551 0 40 GHAB Cc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(C)c1 790759 MUMJANVOXGTDAJ-ZDUSSCGKSA-N 381.501 3.838 0 40 GHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(Cl)cc2)cc1 987234 ZCPOVERALPUGKH-UHFFFAOYSA-N 379.847 3.657 0 40 GHAB CCOC(=O)c1c(NC(=O)Cc2ccc(OC)c(OC)c2)sc(C)c1C 714644 RGIKTRVMCKAJIG-UHFFFAOYSA-N 377.462 3.740 0 40 GHAB O=C(c1ccco1)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 1094940 KNHSTZQVQKIQHZ-UHFFFAOYSA-N 390.468 3.914 0 40 GHAB O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccc(O)cc1 1252668 LCLXIBQGTCSGBQ-AQHRCUNFSA-N 380.425 3.623 0 40 GHAB CC(C)N(C(=O)CSc1ccc(-c2ccc3c(c2)OCCO3)nn1)C(C)C 1332437 MIASWEMNXSKAAE-UHFFFAOYSA-N 387.505 3.652 0 40 GHAB OC1CCN(c2c3c(nc4cc(-c5cccc(Cl)c5)nn24)CCCC3)CC1 1341692 NFZVHVDMDBWRCK-UHFFFAOYSA-N 382.895 3.890 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccccn2)cc1C 1362778 HBKDLLCDRCMQAH-UHFFFAOYSA-N 395.532 3.953 0 40 GHAB CC(C)c1nnc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)s1 1365209 USIJWGVSOCQXLO-UHFFFAOYSA-N 396.398 3.853 0 40 GHAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1ccc(Cl)cc1 2654318 IBMOCQWBCFFCKT-MRXNPFEDSA-N 392.908 3.839 0 40 GHAB C[C@H]1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2cccs2)cs1 2723389 IAELEAKUPOGMEY-LBPRGKRZSA-N 395.575 3.944 0 40 GHAB Cc1ccc(Cn2cc(-n3c(S)nnc3[C@H](C)n3cc(Cl)cn3)cn2)cc1 2809426 RHMFGLZGUWCLIS-ZDUSSCGKSA-N 399.911 3.568 0 40 GHAB Cc1ccc(S(=O)(=O)c2nc(NCCCn3ccnc3)sc2Cl)cc1 3241339 HVDQZUMEPIEKPV-UHFFFAOYSA-N 396.925 3.636 0 40 GHAB COc1ccc(NC(=O)c2cccc(I)c2)cc1OC 3565542 VLXTYDQAJWVYQD-UHFFFAOYSA-N 383.185 3.561 0 40 GHAB C[C@@H]1CCN(C(=O)COC(=O)c2cccc(N(C)C)c2)c2ccccc2S1 4505997 GGLGNLSAVORLMV-OAHLLOKOSA-N 384.501 3.827 0 40 GHAB COc1cc(C)cc2oc(=O)c(CC(=O)NCc3ccccc3Cl)c(C)c12 4743203 IFMOEYYDFUVNDK-UHFFFAOYSA-N 385.847 3.931 0 40 GHAB Cc1ccc(OCC(=O)N2N=C(CCC(C)C)C[C@]2(O)C(F)(F)F)cc1C 5024524 XZXMRXAUEBOFKL-SFHVURJKSA-N 386.414 3.958 0 40 GHAB O=C(Nc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 5252828 WCDIALPHRAFPMA-UHFFFAOYSA-N 397.862 3.606 0 40 GHAB Cc1cc(C)c2c3ccccc3n(CCNS(=O)(=O)c3ccccc3)c2n1 5274227 KWZDIABBPCBMNP-UHFFFAOYSA-N 379.485 3.785 0 40 GHAB C[C@H]1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c2ccccc2S1 5324955 IEORHLLPADIYNG-LBPRGKRZSA-N 382.407 3.785 0 40 GHAB Cc1cc(C)c(NC(=O)CN(CCCN(C)C)C(=O)c2ccccc2)c(C)c1 5697527 AOXCQSNAMRPTFT-UHFFFAOYSA-N 381.520 3.644 0 40 GHAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)NCc1ccccc1F 5764221 QUJJVBQBCDSDRL-UHFFFAOYSA-N 383.492 3.931 0 40 GHAB COc1cccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 6084109 VJOREOWQVRARKR-NSHDSACASA-N 398.242 3.951 0 40 GHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccnn3C3CCCC3)n2)cc1 6141438 XAPRSWIKJAMPCH-UHFFFAOYSA-N 398.492 3.523 0 40 GHAB CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 6619812 SOGAOUFZAZKUHE-UHFFFAOYSA-N 386.517 3.984 0 40 GHAB COC(=O)c1ccc(OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c(OC)c1 7033158 MNEGPKZWYBNCKM-UHFFFAOYSA-N 397.427 3.803 0 40 GHAB CC(=O)Nc1ccc(CC(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1 7511992 KIFMYRRFDRPWLE-UHFFFAOYSA-N 379.412 3.654 0 40 GHAB C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 7779066 IHKPMEAKKPPXQY-CRAIPNDOSA-N 375.428 3.677 0 40 GHAB O=C(CCOc1ccccc1)Nc1ccc2nc(N3CCOCC3)sc2c1 8230444 JSFTXAGGBMWNJM-UHFFFAOYSA-N 383.473 3.541 0 40 GHAB O=c1c(C2CCCCC2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(CO)o2)C1 8296320 CHHZYSAKMRQNTM-FUHWJXTLSA-N 382.504 3.601 0 40 GHAB biogenic,in-vitro CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)cc1 8324396 AEDCPLMGMOZAHJ-HXUWFJFHSA-N 393.439 3.773 0 40 GHAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cc(Cl)c2c(c1)OCCO2 8427947 MXXJGGYBGJYISM-UHFFFAOYSA-N 380.149 3.993 0 40 GHAB COc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)c1 8434557 LYICHGGFMLDHOI-UHFFFAOYSA-N 390.395 3.898 0 40 GHAB O=C(NC[C@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1ccc(F)cc1 8893294 WSBFAJPJBBLUSC-GOSISDBHSA-N 389.496 3.559 0 40 GHAB O=S(=O)(Cc1ccccc1)NC[C@@H](c1ccsc1)N1CCCCCC1 8901739 FEAKSYCFJCHWCW-IBGZPJMESA-N 378.563 3.785 0 40 GHAB O=C(NC[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 9038986 TYEIBUDKLSMVQM-ZDUSSCGKSA-N 377.366 3.880 0 40 GHAB O=C(NCCC(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccco1 9217095 KXQJSFOCLCHOFS-SFHVURJKSA-N 386.498 3.697 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1CCC[C@H]1c1ccccc1 10340586 OJKXLLZVFWRYDI-FQEVSTJZSA-N 379.504 3.537 0 40 GHAB CC(=O)Nc1c(C)cccc1C(=O)O[C@@H](C(=O)N1CCCCC1)c1ccccc1 11944765 ZWIWRIVAPJAQIC-OAQYLSRUSA-N 394.471 3.864 0 40 GHAB Cc1ccc(C2(C(=O)N3CCC[C@@H]3Cn3c(=O)oc4ccccc43)CC2)cc1 12084762 YFFZODDVSFWWGK-GOSISDBHSA-N 376.456 3.626 0 40 GHAB COc1cccc([C@H](O)CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c1 12292535 IVUVIKNCDVJGHX-LJQANCHMSA-N 395.421 3.731 0 40 GHAB COc1ccc2c(C)cc(SCC(=O)NC(=O)NCc3ccccc3)nc2c1 12531912 LBSZCOZJSSASFU-UHFFFAOYSA-N 395.484 3.670 0 40 GHAB CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C)c2nc(C(C)(C)C)no2)c1 12545061 PHXBCHDTPGGZGB-NSHDSACASA-N 386.481 3.760 0 40 GHAB COc1ccc([C@@H](NC(=O)c2ccc(-n3cccc3)cc2)c2nccn2C)cc1 12548355 ZVFSLAFDZOMURX-OAQYLSRUSA-N 386.455 3.739 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(F)cc2)CC1 12784155 QKOPMKQUTFQPCM-UHFFFAOYSA-N 393.462 3.518 0 40 GHAB Cc1csc(=O)n1CCC(=O)N1CCC(c2nc3ccccc3s2)CC1 13008833 SFNFJPBBVMSSPJ-UHFFFAOYSA-N 387.530 3.624 0 40 GHAB CCc1cccc(N2C[C@H](C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)CC2=O)c1 13019689 ZLFAJFYCAQOTLW-OAHLLOKOSA-N 399.878 3.852 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c1 13944860 UUQOYQIGTJMXAM-KRWDZBQOSA-N 393.462 3.954 0 40 GHAB Cc1cc(N2CCN(C(=O)/C=C/c3ccc([C@H]4C[C@H]4C)o3)CC2)nc(C(C)C)n1 14141505 HGIUHXVGGXTPDX-ZEWDCPDSSA-N 394.519 3.987 0 40 GHAB Cc1[nH]c2ccc(C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)cc2c1C 14228544 KPARGWSXSATDAE-QFIPXVFZSA-N 377.488 3.588 0 40 GHAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccccc1-c1ccccc1 15398998 SSEVHIFOAHTCFG-UHFFFAOYSA-N 377.425 3.871 0 40 GHAB O=C(Nc1ccccc1OC(F)F)[C@H]1CC(=O)N(c2ccccc2Cl)C1 15993660 ULCJCDROOCHXMX-NSHDSACASA-N 380.778 3.933 0 40 GHAB C[C@H](c1nnc(SCC(=O)NC(C)(C)C)n1-c1ccc(Cl)cc1)N(C)C 16927303 NKSPXQKQLAIDDM-GFCCVEGCSA-N 395.960 3.550 0 40 GHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccn(Cc4ccccc4)n3)c12 17078862 UXNJIKXMWRESSY-UHFFFAOYSA-N 386.459 3.651 0 40 GHAB Cn1ccc(C(=O)N2[C@H](COc3cccc(C(F)(F)F)c3)[C@H]3CC[C@@H]2C3)n1 19290846 JIQHICKMYATYOC-DXCKQFNASA-N 379.382 3.511 0 40 GHAB COc1cccc(OC)c1CN1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C 19589272 CYMMFFVLLFEMER-KKLQWCBXSA-N 384.495 3.905 0 40 GHAB CCN(C(C)=O)[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C2(CCCCC2)C1 19695924 SNMSGJHHCHJERK-LJQANCHMSA-N 381.520 3.883 0 40 GHAB Fc1ccc(-c2cccc(CN3CCc4nnc([C@@H]5CCCN5)n4CC3)c2)cc1 19706416 FFHFTXNRFPPSMP-NRFANRHFSA-N 391.494 3.567 0 40 GHAB Cc1nonc1-c1csc(NC(=O)c2cc(-n3cccn3)ccc2Cl)n1 19717584 RKQFLXNQFPAIGF-UHFFFAOYSA-N 386.824 3.593 0 40 GHAB CN(Cc1ccc2ncccc2c1)C(=O)CC1CCN(Cc2ccccn2)CC1 19748213 HYVVFGQHFBRHBG-UHFFFAOYSA-N 388.515 3.891 0 40 GHAB CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccccc4)n3)cc21 19796480 IDYJBZYJGITHPH-UHFFFAOYSA-N 379.441 3.808 0 40 GHAB CN(CCOc1ccccc1)C(=O)Cn1c(SC(F)F)nc2ccccc21 21556135 HNFKKFIPRDJFDW-UHFFFAOYSA-N 391.443 3.888 0 40 GHAB COc1ccc(-c2n[nH]c(SCc3cc(=O)c4cc(F)ccc4[nH]3)n2)cc1 21943551 UORKQSMSTLTXFA-UHFFFAOYSA-N 382.420 3.753 0 40 GHAB CN1CCN(Cc2ccccc2C(=O)c2ccc(Br)c(F)c2)CC1 22028203 HKGCHXCBAFRYAS-UHFFFAOYSA-N 391.284 3.567 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc2cccnc12 22393331 JYVGJKXHBSXHIF-UHFFFAOYSA-N 395.484 3.662 0 40 GHAB CN(C(=O)Cn1cnc2c(-c3ccccc3)csc2c1=O)c1ccc(F)cc1 23126346 RGRJKFJNAQUSNI-UHFFFAOYSA-N 393.443 3.927 0 40 GHAB CCC[C@H](C)NC(=O)COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 23267514 ZGODIXHAFJBGDU-MGPUTAFESA-N 395.455 3.602 0 40 GHAB COc1ccc(CCC(=O)NCc2ccccc2CN2CCCC2)cc1OC 24189388 CTYANOKVLRRPBH-UHFFFAOYSA-N 382.504 3.549 0 40 GHAB O=C(c1cccc(F)c1)N1CCCN(Cn2c(=S)oc3ccccc32)CC1 26615898 KMJBVVUMVURCON-UHFFFAOYSA-N 385.464 3.908 0 40 GHAB CCN(C(=O)CCN1C(=O)c2ccc(C)cc2C1=O)c1nc2ccccc2s1 26907698 RQXCOJBWXHGELZ-UHFFFAOYSA-N 393.468 3.644 0 40 GHAB Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)o1 28251280 AIFBVOFLZDKUOU-OAHLLOKOSA-N 385.391 3.655 0 40 GHAB O=C1c2ccccc2-c2nn(C[C@H](O)COc3ccccc3F)c3cccc1c23 28917264 CQZPEMCWUUCZFT-AWEZNQCLSA-N 388.398 3.827 0 40 GHAB CN(Cc1ccco1)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 31459421 OSBUWAIICWBROF-INIZCTEOSA-N 381.259 3.850 0 40 GHAB CC(=O)N(c1nc(COc2ccccc2C(N)=O)cs1)c1ccccc1F 31638114 PVDLEQIPUDJHRY-UHFFFAOYSA-N 385.420 3.645 0 40 GHAB CCSc1nnc(SCC(=O)c2ccc3c(c2)CCCC(=O)N3)s1 32318626 HFNQRMYWSUMSOE-UHFFFAOYSA-N 379.532 3.900 0 40 GHAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccc(C(C)C)cc2)n1 32623381 DBSIDOOYJSERAP-UHFFFAOYSA-N 382.869 3.656 0 40 GHAB Cc1cc2occ(CC(=O)Nc3ccc4c(c3)C(=O)NC4=O)c2cc1C(C)C 32747887 ADEHYSCTXXBHHP-UHFFFAOYSA-N 376.412 3.929 0 40 GHAB COc1ccc([C@@H]2CCCN2CCCCN2C(=O)c3ccccc3C2=O)cc1 32759258 TZJSVEJMFUDXRF-NRFANRHFSA-N 378.472 3.909 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)Oc2ccc(C)cc2)c(Br)c1 32770524 MRCPVNKQAVDDTP-UHFFFAOYSA-N 399.262 3.702 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)NCc1ccccc1CN1CCCC1=O 32779647 ZCUHLZGEEHNJPH-SFHVURJKSA-N 379.504 3.630 0 40 GHAB COc1ccc([C@@H](CC(=O)N2CCC[C@H]2c2ccc(F)cc2)NC(C)=O)cc1 32901533 QFQHQOILKSPPAM-RTWAWAEBSA-N 384.451 3.765 0 40 GHAB C[C@@H]1CCCCN1CCCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 32929522 XBLFRZKYURPIMZ-CQSZACIVSA-N 394.459 3.518 0 40 GHAB CC(C)C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 32958345 JSJBXROAMHVGOI-MHTWAQMVSA-N 394.515 3.546 0 40 GHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(OC)cc1OC 38500798 NQFDQQJCDBNDEF-UHFFFAOYSA-N 385.395 3.680 0 40 GHAB C[C@@H]1CN(c2ccc(C(=O)N(C)[C@@H]3CCCc4ccccc43)cn2)C[C@@H](C)O1 40087718 XQDDKAXTBJBTOR-CBGDNZLLSA-N 379.504 3.845 0 40 GHAB CNC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)c1 40141302 HZPGDRHWDBNNNT-UHFFFAOYSA-N 388.471 3.753 0 40 GHAB CC(=O)Nc1ccc(NC(=O)NCc2ccc3c(c2)OCO3)c(C(F)(F)F)c1 43949763 GUYAFUSBRHBAGJ-UHFFFAOYSA-N 395.337 3.714 0 40 GHAB COc1cccc(O[C@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 44875289 DRICEOXNDJZILP-GOSISDBHSA-N 382.504 3.765 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 44903296 FJRVSNJTBQFXDN-KRWDZBQOSA-N 396.512 3.792 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccccc1 44947584 MAWLHPYNOAZODE-MJGOQNOKSA-N 388.533 3.725 0 40 GHAB CC[C@@H](NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1 45404812 CRIXYSIXYPINPC-IUODEOHRSA-N 377.838 3.975 0 40 GHAB O=C(CN(Cc1ccco1)C1CCCC1)Nc1cccc(C(=O)NC2CC2)c1 48368659 GJDLOFWTNPQFIE-UHFFFAOYSA-N 381.476 3.555 0 40 GHAB O=C(CSc1cc(NCc2ccc(Cl)cc2)ncn1)NC1CCCC1 49006730 RUVOZZGTZBFBCW-UHFFFAOYSA-N 376.913 3.893 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 57406189 MSQLUGIYLDHSBO-AWEZNQCLSA-N 391.874 3.637 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(F)ccc3Cl)n2)cc1C 57427545 PFSRBJBNVWLKJY-UHFFFAOYSA-N 385.826 3.958 0 40 GHAB CN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1cccc(C(=O)O)c1 59599888 GOPNQVMAHAVWGD-MIQHFYGNSA-N 383.385 3.527 0 40 GHAB COc1cccc2sc(N(C)CC(=O)NCc3ccccc3Cl)nc12 70973192 CIXNQQSQGVDRRI-UHFFFAOYSA-N 375.881 3.711 0 40 GHAB CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(C)ccc2C)c1C 71326987 FOTMXWARBAJPPJ-UHFFFAOYSA-N 391.475 3.657 0 40 GHAB O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1ccccc1C(F)(F)F 71834811 CRRDGUYLXZPQIB-UHFFFAOYSA-N 379.367 3.616 0 40 GHAB O=C(CN1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1)N1CCCC1 72359391 ZINSVYQTIIODSG-UHFFFAOYSA-N 384.911 3.599 0 40 GHAB C[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)NCC(F)(F)F 79408092 HUALJALDHPVRST-MRVPVSSYSA-N 375.441 3.729 0 40 GHAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(-c4ccccc4)cn3)cnc12 84230333 TZGSJTNHLZGDCX-UHFFFAOYSA-N 384.439 3.796 0 40 GHAB CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cn4ccccc4n3)cc12 84795660 MQNKHHRUVWFVNQ-UHFFFAOYSA-N 377.400 3.530 0 40 GHAB CCc1cccc(NC(=O)NCCNc2cc(Nc3ccccn3)nc(C)n2)c1 90608002 ALSIYMCQNJXPNN-UHFFFAOYSA-N 391.479 3.720 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)Cc1nc2cc(Cl)ccc2n1C 95356685 NNWFDOZHNCVAHM-UHFFFAOYSA-N 384.911 3.695 0 40 GHAB Cc1ccc(NC(=O)N[C@H](C)c2ccon2)cc1NC(=O)N[C@@H](C)c1ccon1 95462256 ZSGWPPNKCMCNQF-OLZOCXBDSA-N 398.423 3.736 0 40 GHAB COc1ccc(C2(C(=O)N[C@@H](C)c3nc4ccccc4n3C)CCOCC2)cc1 96231479 MBYUDSQNRGEXKY-INIZCTEOSA-N 393.487 3.508 0 40 GHAB Cc1ccccc1CC(=O)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 98211752 GCKMDJWRRVTWTO-UHFFFAOYSA-N 394.906 3.930 0 40 GHAB COc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c(C)c1 98212608 DUUKACUTNLKILY-UHFFFAOYSA-N 390.487 3.793 0 40 GHAB Cc1ccc(C)c(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 102550035 KPCQDKSYDLLKTI-IDPBPBMLSA-N 387.435 3.834 0 40 GHAB CC(C)(C)[C@@H]1CCN(Cc2ccc(OCC(=O)Nc3ccccc3)cc2)C[C@H]1O 108173816 MADZDLNMXDGUDU-FGZHOGPDSA-N 396.531 3.933 0 40 GHAB O=C(O)CN(c1ccc(F)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl 113884654 RARNXIXXQKGDRU-UHFFFAOYSA-N 396.198 3.552 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 220794837 SSVQCNXUFZZDHX-MRXNPFEDSA-N 392.459 3.544 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 222833162 WZMQOADRWVIJRN-UHFFFAOYSA-N 392.455 3.624 0 40 GHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1 223227199 BIHFGWUHBOJJFT-GFCCVEGCSA-N 381.881 3.729 0 40 GHAB O=C(NCC1=CCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 224104340 HQJACNXWQKTRER-UHFFFAOYSA-N 396.940 3.745 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)ccc1N1CCCC1=O 224921480 PLCHOEKEAVVPLI-UHFFFAOYSA-N 399.516 3.523 0 40 GHAB COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(N)cc2)cc1OC 225313429 DELIUJSLBXIMBI-UHFFFAOYSA-N 398.484 3.682 0 40 GHAB O=C1CCCN1c1cccc(NC(=S)NCCCOC2CCCCC2)c1 225618527 IJIIMFPSNYMGPT-UHFFFAOYSA-N 375.538 3.839 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1C 225776343 RYMXFXKAZOGIAZ-INIZCTEOSA-N 389.517 3.816 0 40 GHAB Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 244395772 YHKOQWIBMOBXIB-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB CCC(CC)C(=O)N1CCC[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 257232601 GLPDUTMRXDBMRE-FQEVSTJZSA-N 380.916 3.639 0 40 GHAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)s1 257240256 HSTOQIUAJZUHJZ-HNNXBMFYSA-N 394.504 3.708 0 40 GHAB O=C(Cn1ccnc1)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257255296 KGYZIKPGIWXNDD-SFHVURJKSA-N 384.867 3.869 0 40 GHAB Cc1cc(-c2cncc(C(=O)O)c2)nc([C@H]2CCCCN2C(=O)C(C)(C)C)n1 257261482 LHMWEGKTGYPJAE-QGZVFWFLSA-N 382.464 3.645 0 40 GHAB CC(=O)N[C@H]1C[C@@H](c2ccccc2)O[C@@H](c2ccc(C)cc2OCC(=O)O)C1 257263791 LRMPHWDSTMIGCG-HFSMHLIXSA-N 383.444 3.556 0 40 GHAB CCCc1ccc(CN2CC[C@@]3(COCc4cnc(NC5CC5)nc43)C2)cc1 306136452 PUAWSDIXQLUCEF-QHCPKHFHSA-N 378.520 3.677 0 40 GHAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(OCC)cc1 408991192 PMTIHAYUEQTVFC-HXUWFJFHSA-N 395.459 3.863 0 40 GHAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21)c1ccccc1 409373938 ZUUOYLNGJMOAEF-XWOARTFESA-N 385.419 3.810 0 40 GHAB COc1ccc2c(c1)CN(C(=O)Cn1cc(Cl)cn1)[C@H](c1ccccc1)C2 513575728 ZNUXORLKYYTMMR-FQEVSTJZSA-N 381.863 3.871 0 40 GHAB Cc1csc(CN2C[C@@H](C(=O)O)[C@H](c3ccc(Br)cc3)C2)n1 564092856 NNMRNXWIMDLUNW-UONOGXRCSA-N 381.295 3.514 0 40 GHAB Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 574610804 PGAJQQSYWHAAPW-SJORKVTESA-N 392.908 3.985 0 40 GHAB O=C(Nc1ccccc1F)Nc1cccc2c1CCN([C@H](C(=O)O)C1CC1)C2 635016824 PNDDVKNSBANGEF-IBGZPJMESA-N 383.423 3.691 0 40 GHAB COc1nc(C)cc(C)c1CNC(=O)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 650830363 YRUUNADMXWFMKK-ACRUOGEOSA-N 395.503 3.911 0 40 GHAB O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CCCN(CC(F)(F)F)C1=O 1139016157 OIWDGSCGIYHHIZ-QEJZJMRPSA-N 388.817 3.503 0 40 GHAB CC[C@@H](C)CCC(=O)N1CCCCC[C@H](Nc2cc(-n3ccnc3)ncn2)C1 1615611234 YIYWAFGWWPPMMF-MSOLQXFVSA-N 384.528 3.672 0 40 GHAB COc1ccnc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)c1 2037988583 YLEJKEGENRAPSV-QFIPXVFZSA-N 383.467 3.893 0 40 GHAB Cc1nc(C2CCOCC2)cc(N2CCN(c3cc(Cl)ccc3C)CC2)n1 2086992532 UAVANXLFPASIHO-UHFFFAOYSA-N 386.927 3.967 0 40 GHAB O=C(c1ccc2ncsc2c1)N1CCN(Cc2ccc(Cl)s2)CC1 23640260 FSHOPFWQAUGBRO-UHFFFAOYSA-N 377.922 3.969 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(OC)c1 641191 ULJSTFCFATWTEF-LJQANCHMSA-N 397.500 3.525 0 40 GHAB Cc1cc(C)c(OCC(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c(C)c1 43060420 RLMZHTGBRKTGBV-UHFFFAOYSA-N 380.444 3.673 0 40 GHAB C[C@@H](C(=O)Nc1ccc(NC(=O)c2csc3c2CCCC3)cc1)n1cncn1 24584142 MNJOUNCTGAGBGV-ZDUSSCGKSA-N 395.488 3.670 0 40 GHAB O=C(O)c1cc(NS(=O)(=O)c2ccccc2Br)ccc1Cl 37642014 MSBBINWPUDOXTC-UHFFFAOYSA-N 390.642 3.602 0 40 GHAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c2ccccc2n1 2637305 RWOMKCRITAVRPM-UHFFFAOYSA-N 386.354 3.940 0 40 GHAB O=C(Nc1cccc(F)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3548436 UGMJIBUTXVHDBG-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)NCCCc3ccccc3)o2)cc1 3593035 KMQRIJCGEQEEBQ-UHFFFAOYSA-N 383.473 3.586 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccc[nH]2)C1=O)Nc1cccc2ccccc12 6496667 UMZVFQAIUKNGPH-GZTJUZNOSA-N 377.425 3.843 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 7708309 BCNRPUDSDZDWEG-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB CC(=O)c1ccc(OC[C@@H](O)CN(C)[C@H](C)c2nc3ccccc3s2)cc1 35288645 QCWISTPWVGSXET-PBHICJAKSA-N 384.501 3.932 0 40 GHAB COCc1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)sc2cccc(F)c12 26366806 AQUHPONXLJPIRM-UHFFFAOYSA-N 398.415 3.665 0 40 GHAB COCCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2cc(C)ccc2C)n1 8476719 DIZKDDYAQUWWFH-UHFFFAOYSA-N 378.476 3.626 0 40 GHAB COc1ccc(C(=O)NC2CCN(C(=S)Nc3ccc(C)c(C)c3)CC2)cc1 8687031 KRXZDEFOGSAROY-UHFFFAOYSA-N 397.544 3.903 0 40 GHAB CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1CC(C)C 57426217 QGJFJALGIKGELT-UHFFFAOYSA-N 381.567 3.855 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c(-c2ccc(F)cc2)n1 57508877 SJKRZPOWLZBADP-UHFFFAOYSA-N 391.446 3.739 0 40 GHAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc(Br)cc1F 44891254 JQOFLCXIUPZMHI-UHFFFAOYSA-N 396.264 3.554 0 40 GHAB CCOC(=O)c1ccc(OCC(=O)c2ccc(NC(C)=O)c(SC)c2)cc1 53450163 QVDFSMHWJUGFMJ-UHFFFAOYSA-N 387.457 3.805 0 40 GHAB CCc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCCC2)cc1 28293045 CKXSALABCQSCJR-HXUWFJFHSA-N 390.483 3.922 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CC1 28201226 SLIDUMPKQNYAPI-UHFFFAOYSA-N 386.496 3.551 0 40 GHAB CCCN1C(=O)[C@](O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21 2347356 UGSRJFQFTFMALF-LJQANCHMSA-N 385.261 3.923 0 40 GHAB O=C(Nc1ccc(OC(F)F)cc1)[C@H]1CCCN1c1ncnc2ccccc12 11248309 GEYBDVRFGJLQQY-QGZVFWFLSA-N 384.386 3.839 0 40 GHAB COC(=O)c1ccccc1N(C)C(=O)CN(C)Cc1ccc2ccccc2c1 11286421 LOVBXVSNEZXKHG-UHFFFAOYSA-N 376.456 3.721 0 40 GHAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(OCC)cc3)n3nc(N)nc3N2)cc1 2472255 OUHDPOLNKRTPMQ-OALUTQOASA-N 379.464 3.804 0 40 GHAB O=C(CCC(=O)Nc1nnc(C(F)(F)F)s1)Nc1ccc(Cl)cc1 2400454 WCQZGCFDSVSWFI-UHFFFAOYSA-N 378.763 3.568 0 40 GHAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCN(c2ccccc2F)CC1 46455026 FMCMKVBMCABGSW-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)Nc1ccc(F)c(F)c1F 2635160 PLFRFWBDLQQCBW-UHFFFAOYSA-N 393.148 3.788 0 40 GHAB CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1C(=O)OC(C)C 2748634 PYBWIVRQHRNOEB-KGLIPLIRSA-N 379.478 3.790 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccco3)c2)cc1 12631194 OUGPCURCPXVHSJ-UHFFFAOYSA-N 398.484 3.969 0 40 GHAB O=C(OCc1c(F)cccc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 3316895 QMACMENVOXKTKK-UHFFFAOYSA-N 397.855 3.621 0 40 GHAB COc1ccc2c(c1)OC[C@@H](C(=O)Oc1ccc([C@@](C)(O)C(F)(F)F)cc1)C2 84651574 XJMHGCWIAGLCCQ-ORAYPTAESA-N 396.361 3.622 0 40 GHAB Cc1cccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 113956475 MAWOIXSMEHKQPX-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CCN(C(=O)C2CC2)CC1 13001769 JPHBEFCLPINNBZ-UHFFFAOYSA-N 391.443 3.675 0 40 GHAB CC[C@@H](CO)Nc1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 13207191 GSISMPWVAGYSBN-LBPRGKRZSA-N 384.480 3.929 0 40 GHAB CCCc1cc(=O)oc2c(C(=O)[C@H](C)CC)c3c(c(O)c12)C[C@H](O)C(C)(C)O3 13459467 IWAUBOJXTGEZNN-RISCZKNCSA-N 388.460 3.754 0 40 GHAB endogenous,in-man Cc1cc(C)cc(-n2cc(C(=O)NCc3cccc(Br)c3)nn2)c1 71326408 QYZWNBBXIQWNLX-UHFFFAOYSA-N 385.265 3.577 0 40 GHAB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)COc1ccccc1C 9252415 ZIJUHBCKRJKWLT-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB COC(=O)[C@@H](C)N(C#N)c1nc(C)cc(Oc2ccc(Cl)cc2Cl)n1 27644259 HXMLNBKHQADIGZ-SNVBAGLBSA-N 381.219 3.733 0 40 GHAB CC(C)c1nc2ccc(NC(=O)C(=O)N(C)Cc3ccc(O)cc3)cc2s1 65570697 LYFUCWUWTADAQT-UHFFFAOYSA-N 383.473 3.722 0 40 GHAB O=C1OC(c2ccc(N3CCCC3=O)cc2)=N/C1=C/c1ccc(OC(F)F)cc1 96892206 CEHPRYOFHFYVCM-SFQUDFHCSA-N 398.365 3.759 0 40 GHAB O=C(N[C@H]1CCc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 14189061 HWZKAKANOFWDNL-XLIONFOSSA-N 382.891 3.996 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(OC)cc3s2)cc1 6439603 PAQIKZOTNIVHCH-UHFFFAOYSA-N 387.486 3.830 0 40 GHAB CCN(c1ccc(-c2csc(NCc3ccco3)n2)cc1)S(C)(=O)=O 14248219 LHKLFZSRVMXLPY-UHFFFAOYSA-N 377.491 3.801 0 40 GHAB CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)COc2ccccc2F)cc1 6516113 VQNUNHBVDHMQAI-UHFFFAOYSA-N 387.407 3.615 0 40 GHAB Cc1cc2oc(=O)c(CC(=O)N3CCOCC3)c(C)c2c2occ(C(C)(C)C)c12 4744396 BMJSQCZKNDGXPI-UHFFFAOYSA-N 397.471 3.855 0 40 GHAB CCOC(=O)c1c(-n2c(=S)[nH]c3ccccc3c2=O)sc(C(C)=O)c1C 6870129 HJJHGEMWYMLCIY-UHFFFAOYSA-N 388.470 3.798 0 40 GHAB COc1ccc(C(=O)Nc2nc(-c3ccc(CCNC(C)=O)cc3)cs2)cc1 7037542 UBFYGWKWDLFDTQ-UHFFFAOYSA-N 395.484 3.750 0 40 GHAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 7053810 JPDLWKIPUHGDBE-UHFFFAOYSA-N 393.770 3.946 0 40 GHAB Cc1nn2c(nnc3c(=O)n(-c4ccc(F)cc4)ccc32)c1-c1ccc(F)cc1 19821608 ZBWGPNUCOKHMLV-UHFFFAOYSA-N 389.365 3.682 0 40 GHAB CCc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)s1 7348297 VQOFTKRBYHTXJV-UHFFFAOYSA-N 376.445 3.601 0 40 GHAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N1CCCC1 7790598 VYEPRVHBWQQALG-ZDUSSCGKSA-N 381.505 3.864 0 40 GHAB COc1ccccc1N1CCN(C(=O)CCC(=O)c2ccc(C)c(C)c2)CC1 7910396 BMSSMRCFYNNPID-UHFFFAOYSA-N 380.488 3.624 0 40 GHAB COc1ccc(CN2C(=O)/C(=C\Nc3ccccn3)c3ccccc3C2=O)cc1 8023863 KWBMJCXVSALJKZ-ZHZULCJRSA-N 385.423 3.726 0 40 GHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(OC)c(OC)c1 20143227 UCJYXCSPKVTTHB-UHFFFAOYSA-N 383.400 3.717 0 40 GHAB O=C1CCS[C@@H]2CCCC[C@]2(C(=O)NC2CCCCC2)N1Cc1ccco1 17172998 KSTDDNXHTUFING-NQIIRXRSSA-N 390.549 3.875 0 40 GHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cccnc2)cc1 17168898 MHNACSHLMFNQFG-UHFFFAOYSA-N 384.439 3.873 0 40 GHAB Nn1c(SCc2ccccc2Cl)nnc(Nc2ccc(Cl)cc2)c1=O 28535643 JOYNSBDLOKOMNI-UHFFFAOYSA-N 394.287 3.695 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H](c1ccco1)N1CCCC1 8879119 ZHJQGEMAHXSVBT-MRXNPFEDSA-N 382.489 3.673 0 40 GHAB CCn1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2CC)n1 28237825 JTFKLXXTCQDPAT-UHFFFAOYSA-N 384.509 3.529 0 40 GHAB Cc1ccc(NC(=O)Cc2noc(Cc3cccc(Br)c3)n2)cc1 95955902 KKEQJBHDLYOPNG-UHFFFAOYSA-N 386.249 3.913 0 40 GHAB CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 89977541 GPLYUPBZGLSHMS-UHFFFAOYSA-N 380.469 3.904 0 40 GHAB O=C(CSCc1nc2ccccc2s1)N1CCN(Cc2ccccc2)CC1 22405131 NQHISZUXWUQZLG-UHFFFAOYSA-N 397.569 3.874 0 40 GHAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 408621222 LWXBYBIDNFVMHB-RUDMXATFSA-N 390.848 3.573 0 40 GHAB Nc1nn(CC(=O)c2ccc(Cl)c(Cl)c2)c(=S)n1Nc1ccco1 36625675 OCODFRYMCUGFOI-UHFFFAOYSA-N 384.248 3.654 0 40 GHAB CCN(C(=O)CSc1nnc2ccc(Br)cn12)c1ccccc1 549076934 XXNURYRFKQRRKK-UHFFFAOYSA-N 391.294 3.637 0 40 GHAB CCn1cc(CN2CCC[C@H](c3nccnc3Oc3cccnc3C)C2)cn1 72384327 JAYIYXZRBGVGGB-SFHVURJKSA-N 378.480 3.568 0 40 GHAB CC(C)(C)NS(=O)(=O)c1ccc(NCCC2=CCCCC2)c(C(=O)O)c1 217564324 BCFDWYYZCSQOBX-UHFFFAOYSA-N 380.510 3.764 0 40 GHAB NC(=O)c1sc2ccccc2c1[C@@H]1CCN(CC(=O)Nc2ccc(F)cc2)C1 72352370 SYNGHOVJDLOOOP-CYBMUJFWSA-N 397.475 3.567 0 40 GHAB COc1cc(N2CCN(Cc3cccc(C(=O)O)c3Cl)CC2)ccc1F 566015127 JXIQTCIXEZDWMH-UHFFFAOYSA-N 378.831 3.508 0 40 GHAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)N[C@H](C(=O)O)c1ccccc1 36569675 ULTKJZDJWCEROB-KRWDZBQOSA-N 386.860 3.948 0 40 GHAB Cc1nccn1-c1cccc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 72378926 IGSUWWWEGSDQET-UHFFFAOYSA-N 378.451 3.664 0 40 GHAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(OC2CCCC2)c1 40060390 YXSGACKRSWXBIC-UHFFFAOYSA-N 378.428 3.633 0 40 GHAB COCCOc1c(Cl)cc(NC(=O)N[C@]23C[C@H]2COC3(C)C)cc1Cl 529044813 NCKWOZMKSHQWKR-DYZYQPBXSA-N 389.279 3.708 0 40 GHAB Cc1cccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(Cl)cc3)n2)c1 223644791 GIPFLKKIEKUCKH-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N)cc2Br)cc1 226238188 UXMXEZWMJFKIFC-UHFFFAOYSA-N 378.295 3.721 0 40 GHAB CC1(C)[C@@H]2CC=C(COC[C@H](O)CN3CCO[C@H](c4ccc(F)cc4)C3)[C@H]1C2 48234775 HCTQBABQZRDQQK-NMIHRBCNSA-N 389.511 3.569 0 40 GHAB COc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)cc3)n2)c1 225312287 LBRHXRPNPPITPP-UHFFFAOYSA-N 385.851 3.990 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(CC)cc1 224257307 WVKNVQSOKJRNTD-QFIPXVFZSA-N 396.531 3.880 0 40 GHAB O=C(Nc1ccc2ccnc(O)c2c1)N1CCC[C@@H](Oc2ncccc2F)C1 577487081 AZJDINSFEJPDCS-OAHLLOKOSA-N 382.395 3.550 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 95482387 IAFAEWQEMRQANM-LJQANCHMSA-N 395.459 3.836 0 40 GHAB COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)O[C@@H]1CC[C@@H](C)[C@H](C)C1 245231679 HUYGQRAVZXPWSL-XXZHDZSNSA-N 388.533 3.856 0 40 GHAB O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O 529088709 DNLVZFBVKIRPJV-OCDDVZBJSA-N 395.937 3.981 0 40 GHAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(-c2cccc(F)c2)no1 257300103 RSXWEOHXOGUSRO-QRXQEZHUSA-N 383.467 3.958 0 40 GHAB O=C(N[C@H](C(=O)O)C12CC(F)(C1)C2)OCC1c2ccccc2-c2ccccc21 258830671 HTJXDUQTMJFOCT-OSFYOIPJSA-N 381.403 3.871 0 40 GHAB COc1ccc(-c2nc(-c3cc(OC)c4c(c3)OCO4)n(O)c2C)cc1OC 604404095 IWGWAWSISPSEGU-UHFFFAOYSA-N 384.388 3.517 0 40 GHAB biogenic Cc1cc(C2(NC(=O)Nc3cn(C)nc3C3CCCCC3)CCOCC2)on1 626575972 HFRDVADTKNUVRD-UHFFFAOYSA-N 387.484 3.592 0 40 GHAB Cc1c(C(=O)NC[C@H]2CCc3ccccc3C2)nnn1-c1ccc2ncccc2c1 604956046 YSFNVWWLYKGTKE-KRWDZBQOSA-N 397.482 3.659 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 90613798 JXWLQPMSKJWNKH-QGZVFWFLSA-N 380.227 3.936 0 40 GHAB COc1ccc(CN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)c(OC)c1 585289004 MEBZZXABPOKETM-QKNQBKEWSA-N 391.895 3.808 0 40 GHAB CC(=O)N1CCCc2cc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)ccc21 70012560 BTOZCUBLDLZETI-NRFANRHFSA-N 391.515 3.836 0 40 GHAB CCCc1ccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)o1 1615119347 FTGDJJHBMPTEFE-UHFFFAOYSA-N 386.467 3.769 0 40 GHAB COc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)OC(C)(C)C)C1=O 5007562 RAYHXMNIPPYEMB-MDWZMJQESA-N 383.853 3.727 0 40 GHAB O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1c(F)cccc1F 5259351 NGDGZDCTXBXIAD-UHFFFAOYSA-N 396.397 3.511 0 40 GHAB CCCOc1ccc(C(=O)CCC(=O)NCC(=O)Nc2cccc(C)c2C)cc1 13012795 UUOHPHOPIYLXMO-UHFFFAOYSA-N 396.487 3.810 0 40 GHAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1c(OCC)ccc2ccccc12 13522788 GWPJDPSLVPAWPM-LJQANCHMSA-N 384.501 3.937 0 40 GHAB Cc1ccc(Cn2ccc(NS(=O)(=O)c3cccc4cccnc34)n2)cc1 14222533 JPXRAVPISKGXIF-UHFFFAOYSA-N 378.457 3.589 0 40 GHAB Cc1ccc([C@@H]2CN(CC(=O)N3CCC[C@H](C)[C@H]3C)C[C@H]2c2csnn2)cc1 19211974 OKXDKRMWHYEUNX-KVPLUYHFSA-N 398.576 3.677 0 40 GHAB Cc1cc(-c2cnc(NCCNC(=O)C(C)C)nc2-c2ccc(C)s2)on1 19217388 DJIVEEDFPQENLG-UHFFFAOYSA-N 385.493 3.661 0 40 GHAB C[C@H]1Cc2cc(-c3csc(NC(=O)c4ccn(C(F)F)n4)n3)ccc2O1 19498252 YTRUPTAMBSPTOO-VIFPVBQESA-N 376.388 3.977 0 40 GHAB FC(F)(F)c1cc(N2CC[C@@H](Oc3ccncc3Br)C2)ccn1 1888853111 RGTAHTSHSTUELH-LLVKDONJSA-N 388.187 3.916 0 40 GHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3ccc(F)cc3F)C2)cc1C 2037913054 NAUGRQGBTNWIGB-NRFANRHFSA-N 375.415 3.628 0 40 GHAB CCOc1ccc(NC(=O)CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 2087096530 XWDBSWUUYAOJKG-UHFFFAOYSA-N 388.895 3.661 0 40 GHAB Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)N(C)Cc3ccccc3)o2)cc1 1565520424 SOSKQYCQYBTSFF-UHFFFAOYSA-N 397.496 3.975 0 40 GHAB O=C1C[C@H]2[C@H](CCN2Cc2ccncc2)N1Cc1c(Cl)cccc1Cl 1565550377 AXIOCFXGPOOIDZ-ROUUACIJSA-N 376.287 3.764 0 40 GHAB CC1=C(C(=O)OCCOC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 4380857 HDIMBGBZNAXQPS-OAHLLOKOSA-N 387.263 3.590 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCSc1ncc(-c2ccccc2)[nH]1 4315625 LISYXRBNQTWNCI-VQHVLOKHSA-N 393.468 3.727 0 40 GHAB COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)c3cccs3)nc12 4359415 FVBTVMKCAHRMNN-UHFFFAOYSA-N 391.518 3.583 0 40 GHAB COc1ccccc1CCNC(=O)Cc1csc2nc(-c3ccccc3)cn12 5146711 LFMAYTZPEVKJDF-UHFFFAOYSA-N 391.496 3.973 0 40 GHAB O=C(COc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCCCCC1 8863200 IRFIMPIWXWCPDD-LJQANCHMSA-N 376.497 4.000 0 40 GHAB Cc1cccc(OCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1 11667194 HRKKXMQRLZXZSA-UHFFFAOYSA-N 375.428 3.947 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)c1cc(=O)c(OCc2ccccc2)co1 11856533 ZJSFVNLLPXMODB-QGZVFWFLSA-N 377.440 3.970 0 40 GHAB Cn1cccc1[C@@H](CNC(=O)c1ccc(F)cc1F)N1CCc2ccccc2C1 21151764 OSJMILMTETXFOO-JOCHJYFZSA-N 395.453 3.833 0 40 GHAB COc1cc(NC(=O)COc2cc(C)nc(-c3ccc(C)cc3)n2)cc(OC)c1 49006877 QDIIOEBKWWYQRS-UHFFFAOYSA-N 393.443 3.795 0 40 GHAB O=C(NCCn1cc(-c2ccoc2)cn1)c1ccc(C(=O)c2ccccc2)cc1 575615531 QBUWHWHBZNPQTR-UHFFFAOYSA-N 385.423 3.804 0 40 GHAB CS(=O)(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccs1 644970 IAQVRVMPXUKHKL-CYBMUJFWSA-N 385.308 3.621 0 40 GHAB Cc1ccc2cc(CCNC(=O)c3ccccc3Br)c(=O)[nH]c2c1 4032838 KEKOSOYWEOYRJN-UHFFFAOYSA-N 385.261 3.572 0 40 GHAB CCc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)cc1 9708943 HRJGCZFJGLUQJY-UHFFFAOYSA-N 394.454 3.897 0 40 GHAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccc(F)cc2)cc1 30228603 IVYRZCDXJSQLPJ-UHFFFAOYSA-N 380.419 3.550 0 40 GHAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)n1 40121548 YYJUFDFFTZXIMM-LBPRGKRZSA-N 390.553 3.921 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1 20733769 DWYFTBYGCCHRKE-FPOVZHCZSA-N 394.471 3.802 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN1CCN(c2ccc(C)cc2)[C@H](C)C1 102623957 SDJGCAAVUBXCTA-MRXNPFEDSA-N 387.911 3.806 0 40 GHAB C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Br 1102559 JJBVFUCAGIZBFR-VIFPVBQESA-N 397.132 3.775 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(Cn2cnc3ccccc32)o1 873592 YDLLATAKSCJACL-UHFFFAOYSA-N 393.472 3.761 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 1346953 NHQXWMVUVSLQFH-QGZVFWFLSA-N 375.831 3.792 0 40 GHAB COc1ccc([C@@]2(O)OC[C@H](COc3cc(C)c(Cl)c(C)c3)O2)cc1OC 1588983 COZRYDWWARSBAZ-OXJNMPFZSA-N 394.851 3.571 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1[nH]nc(C2CC2)c1Cl 79106337 OKSCBTBGFUQDGO-UHFFFAOYSA-N 398.246 3.706 0 40 GHAB O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2ccccn2)cs1 7718740 ZCCSLJROALKJPQ-UHFFFAOYSA-N 386.864 3.617 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccc(Br)cc1F 3237663 MJKAGHYKCGOOOD-NSHDSACASA-N 396.212 3.537 0 40 GHAB CCc1cc(=O)n(CC(=O)Nc2cc(F)ccc2F)c(-c2cccc(F)c2)n1 57508237 BKCHOMMGNWARFL-UHFFFAOYSA-N 387.361 3.529 0 40 GHAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@H](CC[C@@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C[C@]1(O)[C@@H]3C 8618879 PPWXHEFVBQBHDR-NXFNQBGQSA-N 392.536 3.863 0 40 GHAB COC(=O)/C=C\c1ccc2c(c1)CC1(C2)Cc2ccc(/C=C\C(=O)OC)cc2C1 8665493 UFAVLSDSJVPSIE-OZDSWYPASA-N 388.463 3.943 0 40 GHAB O=C(c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)N1CCC[C@H](O)C1 108774391 NRUCGXYGHYBUAF-HNNXBMFYSA-N 383.835 3.654 0 40 GHAB CC(=O)c1ccccc1NC(=O)COc1cccc(I)c1 35800778 LETIJOTXQOMPEW-UHFFFAOYSA-N 395.196 3.511 0 40 GHAB COc1ccccc1[C@H](CNCc1csc(-c2ncccn2)n1)N1CCCC1 58202612 QHSWUBLNFKGTAU-SFHVURJKSA-N 395.532 3.535 0 40 GHAB Cc1nc(-c2cccc(F)c2)sc1C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101685014 PGJORMIZYMVDME-BETUJISGSA-N 376.453 3.878 0 40 GHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1-n1cccc1 10309923 ZHFQKISHKGNTSG-INIZCTEOSA-N 382.485 3.680 0 40 GHAB COc1cc(CNC(=O)COc2cc(C)ccc2C(C)C)cc(OC)c1OC 9887858 YSJFZCKRILJVEM-UHFFFAOYSA-N 387.476 3.839 0 40 GHAB O=C(Nc1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1)C1CC1 10670373 LKFRBCBJZHJUGD-UHFFFAOYSA-N 399.299 3.820 0 40 GHAB O=C(CNc1ccc(NC(=O)C2CC2)cc1)Nc1ccccc1Br 10942004 LVAKQMPSIKBECE-UHFFFAOYSA-N 388.265 3.848 0 40 GHAB CCCCCCn1c(N)c(C(=O)NCCCOCC)c2nc3ccccc3nc21 2393400 YOGFSWUSVSYTPB-UHFFFAOYSA-N 397.523 3.903 0 40 GHAB C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)c1ccc(F)c(F)c1 11069372 QWJWHQHZTADYPK-ZDUSSCGKSA-N 387.382 3.515 0 40 GHAB CC(C)(CNC(=O)CSC(c1ccccc1)c1ccccc1)N1CCOCC1 36622294 PTTYZMFOSGRFEW-UHFFFAOYSA-N 398.572 3.736 0 40 GHAB Cc1ccc(-c2csc(NC(=O)Cn3cnc4sccc4c3=O)n2)c(C)c1 11357200 NAFHCDLRRJRDEJ-UHFFFAOYSA-N 396.497 3.837 0 40 GHAB Cc1cc(Br)c(S(=O)(=O)Nc2cccc(O)c2)cc1Cl 54363175 QXPXWBOLFPPSPN-UHFFFAOYSA-N 376.659 3.917 0 40 GHAB CCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 113957120 LUJMQRZFDBAGEG-UHFFFAOYSA-N 386.517 3.922 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCC(=O)Nc3cccc(Cl)c3C)[nH]n2)cc1 12736373 KEWVZNRXOYALCG-UHFFFAOYSA-N 382.851 3.715 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cc1OC 12861303 ATTUHRVIWHUCAR-HNNXBMFYSA-N 381.881 3.883 0 40 GHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](Cc1ccccc1)n1cnnn1 12818917 IUBJIKCVTCSGTH-OAHLLOKOSA-N 395.772 3.768 0 40 GHAB CCn1cc(C(=O)Nc2ccc(OC)c(Cl)c2)c(=O)c2cc(OC)ccc21 22235859 GVRBYKSZLPOUKY-UHFFFAOYSA-N 386.835 3.944 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)c1ncnc2sc3c(c12)CCCC3 3449850 OXEDHEJBPNUXJL-UHFFFAOYSA-N 398.507 3.852 0 40 GHAB CN(Cc1ccccc1)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 12910263 ZEEAMODWUZQDKS-FQEVSTJZSA-N 380.488 3.643 0 40 GHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2CN(Cc3cccnc3)C[C@H]21 306141139 VMCLTYFXCYAYDP-FXAWDEMLSA-N 382.510 3.565 0 40 GHAB C[C@H](OC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C(=O)c1c[nH]c2ccccc12 12962581 GFBANHCFTXFABW-LBPRGKRZSA-N 399.830 3.950 0 40 GHAB Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc(C2CC2)nn1C(C)(C)C 49681583 DEYMYADDMJAIOT-UHFFFAOYSA-N 382.508 3.913 0 40 GHAB CCn1c(S[C@@H](C)c2ccc(F)cc2)nc2cc(S(N)(=O)=O)ccc21 5069087 INRWSWIZEQFXAU-NSHDSACASA-N 379.482 3.696 0 40 GHAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccccc2Br)C1=O 5218892 CZHYYDJSRNQJBS-KRWDZBQOSA-N 395.203 3.695 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)NC1CCCCC1 4493729 SAKNHIOPTNYFCJ-UHFFFAOYSA-N 388.489 3.559 0 40 GHAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cc4c(cc2Cl)OCO4)N3)C1 4556142 ZXTUDZMGYCYUNA-MRXNPFEDSA-N 391.880 3.937 0 40 GHAB NC(=O)[C@H](OC(=O)c1ccccc1SCc1cscn1)c1ccccc1 14253167 NWXDURAPXLIGCQ-QGZVFWFLSA-N 384.482 3.819 0 40 GHAB COC(=O)c1ccc(CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 5475092 DGXUGAVRZBWZOJ-UHFFFAOYSA-N 393.439 3.793 0 40 GHAB COc1cc(NC(=O)CCn2c(=O)sc3ccccc32)c(OC)cc1Cl 5482840 DPRSBZMHXPKJQU-UHFFFAOYSA-N 392.864 3.762 0 40 GHAB O=C(NCc1ccccc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 4723849 PPGABUSDUXLNBS-QFIPXVFZSA-N 392.480 3.984 0 40 GHAB c1ccn2cc(COc3ccc(CNCc4ccc5c(c4)OCO5)cc3)nc2c1 15566210 IBWXOOSJDARPLU-UHFFFAOYSA-N 387.439 3.932 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1Cl 7309943 ZPPLSPKHVIPUFE-CYBMUJFWSA-N 393.270 3.989 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1noc(-c2cccs2)n1 15840329 FXRNHNJAJPSJFL-UHFFFAOYSA-N 380.223 3.578 0 40 GHAB COc1ccc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)cc1Cl 8231000 WDUDFHBUWPLRPM-UHFFFAOYSA-N 380.882 3.926 0 40 GHAB O=C(/C=C/c1c(Cl)nc2sccn12)NCCOc1ccc2c(c1)CCC2 70012479 RPKLQEQHZBGQOC-VOTSOKGWSA-N 387.892 3.746 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)CCC2 8327457 RRGSMTOVWIHULM-HXUWFJFHSA-N 378.472 3.722 0 40 GHAB CN(Cc1ccccc1F)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 8390912 MDSTWHLRXDOXEB-KRWDZBQOSA-N 388.870 3.990 0 40 GHAB COc1cccc(NC(=O)CN(C)C(=O)c2cc3ccccc3cc2OC)c1 17969089 OIPXDQKSYLFECO-UHFFFAOYSA-N 378.428 3.568 0 40 GHAB O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@@H]1COc2ccccc2O1 69961469 HUGGBGGNNBGSGT-YJBOKZPZSA-N 375.371 3.622 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3ccc(OCC(=O)c4ccccc4)cc3)C(=O)[C@@H]2C1 18241779 FLWMRVNWDBWABL-WOJBJXKFSA-N 375.424 3.794 0 40 GHAB COc1ccc(-c2nc(CC(=O)NC[C@H](c3ccccc3)N(C)C)cs2)cc1 8772519 LZLMVTBSBVDHGL-HXUWFJFHSA-N 395.528 3.780 0 40 GHAB CCOCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC 8719378 PSFOQOIJJXPQAJ-UHFFFAOYSA-N 379.460 3.704 0 40 GHAB Cc1ccc(CC(Cc2ccc(C)cc2)N(C)C(=O)c2ccn(C)c(=O)c2)cc1 72295411 NNAHJSHPOYLJGB-UHFFFAOYSA-N 388.511 3.928 0 40 GHAB COc1cccc(OCCNc2ccc(C(=O)N3CCc4ccccc43)cn2)c1 95958763 RHNPXFJQESNZQH-UHFFFAOYSA-N 389.455 3.784 0 40 GHAB O=C(N[C@H](c1ccccc1)C(F)(F)F)c1nc(N2CCCC2)ncc1Cl 84522079 LKSDWLZSJWXHOY-CQSZACIVSA-N 384.789 3.764 0 40 GHAB Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1nc2ccccc2n1C 28234244 YRNOQUOITAPSIA-SECBINFHSA-N 385.777 3.950 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1cccc(F)c1 20798559 VNRXGOFELYRHJD-GOSISDBHSA-N 396.418 3.654 0 40 GHAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(-n2ccnc2)nc1 24767969 NFMOEZGNEJUXPC-UHFFFAOYSA-N 375.476 3.530 0 40 GHAB Cc1nn(C)c(C)c1N1C(=O)c2cccc3cc(Br)cc(c23)C1=O 408976420 QXDTWWOARSJEML-UHFFFAOYSA-N 384.233 3.753 0 40 GHAB CC(=O)NCc1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1 32738004 JTKYXHAYRNKBFL-UHFFFAOYSA-N 384.439 3.914 0 40 GHAB Cc1nnc(NC(=O)CSc2nnc3c(C)cc4cc(C)c(C)cc4n23)s1 35312943 ZQBXLCVUCWFBFK-UHFFFAOYSA-N 398.517 3.698 0 40 GHAB COc1ccccc1NC(=O)NCCc1csc2nc(-c3cccs3)nn12 38669898 IFDHMKPYKGKYSU-UHFFFAOYSA-N 399.501 3.892 0 40 GHAB CC(C)n1cc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O 72400922 XFZJOBPULBAZKM-UHFFFAOYSA-N 375.472 3.545 0 40 GHAB COc1ccccc1/C=C/C(=O)OCc1cc(=O)n2c(n1)sc1ccccc12 32876684 KNWCVMPLIQBLOL-ZHACJKMWSA-N 392.436 3.674 0 40 GHAB CCc1ccccc1NS(=O)(=O)c1cc2c(C)cc(=O)[nH]c2cc1Cl 217429111 FUCDPZSJDBAWEN-UHFFFAOYSA-N 376.865 3.853 0 40 GHAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(Br)cc2)CC1 47524027 YKTIMDLIMARQQW-UHFFFAOYSA-N 383.286 3.578 0 40 GHAB Cc1cc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)ccc1F 224704847 GIFWGNDIWZDRNQ-UHFFFAOYSA-N 376.497 3.599 0 40 GHAB CCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 225694064 WPVWBWXJYDIXTB-UHFFFAOYSA-N 394.543 3.996 0 40 GHAB Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)c1 225488734 YPVNPSYDQZSCFQ-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220557234 RXMLLNZGZDYFOH-PXNSSMCTSA-N 388.533 3.725 0 40 GHAB COc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224167750 QKMDRUPRKBTKEQ-IBGZPJMESA-N 396.531 3.736 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 224222043 QVLKSTNZIFZOSV-OAQYLSRUSA-N 382.504 3.626 0 40 GHAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 223041986 KSFMJQJUMFMHGI-SECBINFHSA-N 399.727 3.647 0 40 GHAB COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 42402490 GVIOVSBICCRZLE-CQSZACIVSA-N 395.459 3.811 0 40 GHAB CNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 96053257 WRCMFGOKWCRHOM-GOSISDBHSA-N 382.479 3.863 0 40 GHAB COc1cccc2nc(C[C@H]3CN(C4CCCCC4)CC[C@H]3CC(=O)O)[nH]c12 514289413 SIODCZGUCPDYDX-HOTGVXAUSA-N 385.508 3.860 0 40 GHAB biogenic,in-vitro CCOc1c(Cl)cc(NC(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)cc1Cl 584225063 YZLAZJMHIPEOCH-PIGZYNQJSA-N 389.279 3.804 0 40 GHAB Cc1cc(-c2c(C)noc2C)nc([C@H]2CCCCN2C(=O)Cc2cccnc2)n1 257245308 IOXHPUADODAHNS-LJQANCHMSA-N 391.475 3.748 0 40 GHAB O=C(O)CC1(CNC(=O)c2sc(N3CCCC3)nc2Cl)CCCCC1 1608680372 ZQANCIOEJQRKCJ-UHFFFAOYSA-N 385.917 3.552 0 40 GHAB Cc1nc(C(=O)N2CCCC[C@@H]2[C@H]2CCCNC2)nn1-c1ccccc1C(C)C 658945112 VWFXMPZCVZSDNP-AZUAARDMSA-N 395.551 3.693 0 40 GHAB CN(CC1=CCCOC1)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 664434417 SDMFASFQCDJJKW-UHFFFAOYSA-N 397.450 3.566 0 40 GHAB Cc1cc(C)n(-c2cccc(-c3ccc(C(=O)N4CCC[C@H]4C(=O)O)cc3)c2)n1 685942469 UBIPSEOPECRXGX-NRFANRHFSA-N 389.455 3.845 0 40 GHAB CN(C)C(=O)Cc1ccc(NC2CCN(CCc3ccc(F)cc3)CC2)cc1 95990742 UEMCXTCHPWSYRD-UHFFFAOYSA-N 383.511 3.575 0 40 GHAB Cc1ccccc1CNC(=O)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772595815 MFEKDZZBYQQXDJ-GIWBLDEGSA-N 376.500 3.703 0 40 GHAB CCc1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4F)nnc3c2c1 5444977 ZISSAZSUQPVVJR-UHFFFAOYSA-N 381.436 3.938 0 40 GHAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 5681498 SBEGEDRIXNFQOP-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 5868673 ZEJOTPIKAVHUSV-UHFFFAOYSA-N 396.472 3.688 0 40 GHAB O=C(Nc1cc(F)ccc1F)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 12790962 FELBSFQDLWGUOA-PDGQHHTCSA-N 393.353 3.848 0 40 GHAB O=S(=O)(Nc1cnn(Cc2ccccc2Cl)c1)c1cccc2cccnc12 14228113 XGYIIXQMXFJELE-UHFFFAOYSA-N 398.875 3.934 0 40 GHAB CCC(=O)c1ccc(OCC(=O)NCc2ccc(CN(CC)CC)cc2)cc1 15617255 WEPVEHRLTAYKEI-UHFFFAOYSA-N 382.504 3.816 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 17169278 AWNXXQRTBDFTPR-UHFFFAOYSA-N 394.496 3.921 0 40 GHAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 19117860 RLVFZMSNOLXBIK-HNNXBMFYSA-N 381.505 3.575 0 40 GHAB COc1ccc(C)cc1CN1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 19133446 KDTBQLBSQPOOSK-AWEZNQCLSA-N 387.434 3.759 0 40 GHAB Cc1nc2ccccc2n1[C@@H](C)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 19286670 VSEKKMAVHARQDC-XOBRGWDASA-N 391.450 3.684 0 40 GHAB NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)C2CCCCC2)C1 19333485 PLFBLYUJZREJBU-DEOSSOPVSA-N 391.515 3.575 0 40 GHAB COc1cccc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)c1OC 19453649 AHMMIRYNKDZVIV-UHFFFAOYSA-N 396.535 3.776 0 40 GHAB COc1cccc([C@H]2CN(C(=O)c3cc4c(s3)CCCC4)[C@@H]3CCCN[C@H]23)c1 19566440 LVAKSIYXBVLVRU-WOIUINJBSA-N 396.556 3.996 0 40 GHAB Cc1cc(C)c2nc3c(cc2c1)CN(Cc1nnnn1C1CCCCC1)CCO3 19568355 LCEHVDXSLSUXMV-UHFFFAOYSA-N 392.507 3.738 0 40 GHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/C=C/c3ccc(OC)cc3)C2=O)o1 6381856 CCYAADORLQFTNG-GOZVUGRMSA-N 399.424 3.868 0 40 GHAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cccnc1-n1cccn1 159013192 MQIZSVWYBNJVQC-UHFFFAOYSA-N 386.459 3.506 0 40 GHAB O=c1c2sccc2nc2n1CCN(Cc1ccc(Cl)cc1Cl)CC2 19293021 RFZPXLYFVSXYAE-UHFFFAOYSA-N 380.300 3.823 0 40 GHAB CC(C)[C@@H](C)NC(=O)C1CCC2(CC1)CNC(=O)c1cc(Cl)ccc1O2 19445283 OOUJMBIMPFGSCV-WCGZIJFHSA-N 378.900 3.552 0 40 GHAB O=C(COCc1nc2ccccc2s1)Nc1cccc(N2CCCC2=O)c1 6988618 VRGARXQSNSMYBN-UHFFFAOYSA-N 381.457 3.578 0 40 GHAB Cc1[nH]c2ccc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)cc2c1C 23156406 ULOJPROJFLJTFJ-JOCHJYFZSA-N 395.478 3.727 0 40 GHAB COc1ccc([C@@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCCC3)cc1OC 2966515 HLUDFLCKPBMNBD-QHCPKHFHSA-N 381.496 3.663 0 40 GHAB CC(C)(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1 4036063 YHHNOODWKZZJSG-IBGZPJMESA-N 399.516 3.782 0 40 GHAB O=C(CSc1nnc(NC(=O)NC2CCCCC2)s1)Nc1ccccc1 4851340 QSXHDNRPZSZHKB-UHFFFAOYSA-N 391.522 3.723 0 40 GHAB CC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 5099525 QJVBORNGJKYQIH-UHFFFAOYSA-N 380.469 3.940 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(C)c(N2CCCC2=O)c1 5329593 HBNBNASGUUXUJO-UHFFFAOYSA-N 388.489 3.548 0 40 GHAB O=C(COc1ccccc1F)NC[C@@H](c1ccsc1)N1CCCCCC1 8863197 WGCDDPYEXBDOPN-SFHVURJKSA-N 376.497 4.000 0 40 GHAB CCCCS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(Cl)c2)cc1 42348658 YGDKAUJEOZMVEQ-UHFFFAOYSA-N 380.897 3.812 0 40 GHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](n2cnc3ccccc32)C1 575617850 RSPQDPSNXZWCJQ-VQIMIIECSA-N 398.507 3.599 0 40 GHAB O=C(CCc1ccccc1Br)NCc1nccnc1-c1ccoc1 575620267 LMKBDAYOZATBHM-UHFFFAOYSA-N 386.249 3.748 0 40 GHAB CCOC(=O)c1c(C)nc(O)nc1SCc1ccc(Br)cc1 4317635 LUNCUXVSTFPBNO-UHFFFAOYSA-N 383.267 3.722 0 40 GHAB COC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 10406132 GBEAGRZYOBCUJW-UHFFFAOYSA-N 396.830 3.589 0 40 GHAB O=C(C[C@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc(Cl)cc1 3504777 MEEOJBCXYLZGBV-MRXNPFEDSA-N 375.833 3.569 0 40 GHAB CCc1ccc(N2C[C@@H](c3nc(-c4ccc(N(C)C)cc4)no3)CC2=O)cc1 9320958 MTSNNELCMMMVQE-KRWDZBQOSA-N 376.460 3.886 0 40 GHAB C[C@@H](NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccc(NC(=O)C2CC2)cc1 40088138 PBBXVLZJMCQQJS-XCLFUZPHSA-N 395.434 3.545 0 40 GHAB C[C@H](CNC(=O)Nc1cccc(Oc2ncccn2)c1)N(C)c1ccccc1 40105556 NGLALJZTVXVORY-MRXNPFEDSA-N 377.448 3.915 0 40 GHAB Cc1cccc(N2CCN(Cc3ccc(OCc4nccn4C)cc3)CC2)c1C 40135439 DITTTWZTXDBPDU-UHFFFAOYSA-N 390.531 3.938 0 40 GHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1c(O)c2cccc3c2n(c1=O)CCC3 100331687 BJRMOYVPFMTTKT-UHFFFAOYSA-N 388.345 3.924 0 40 GHAB O=C(C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cccc2ccccc12 20714526 NFUDRADMTUPFEE-SFHVURJKSA-N 383.411 3.620 0 40 GHAB O=C(OCc1cccc(Br)c1)[C@H]1CCCN(c2ccccn2)C1 51912695 GXRLICJVKDOZST-HNNXBMFYSA-N 375.266 3.804 0 40 GHAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 32772851 JBSZAKFTQLIUBL-CQSZACIVSA-N 375.428 3.752 0 40 GHAB O=C(CCNC(=O)Nc1ccccc1)NCC1(N2CCCCC2)CCCCC1 32960854 VHCXIOQHNPTJIR-UHFFFAOYSA-N 386.540 3.503 0 40 GHAB Cn1c(=O)c2ccccc2n2c(COc3ccc(Cl)c4ccccc34)nnc12 21976738 TVZRDVJNTNTXJS-UHFFFAOYSA-N 390.830 3.967 0 40 GHAB O=c1[nH]c(-c2ccc(Cn3cccn3)cc2)nc2sc3c(c12)CCSC3 53845290 PBHAZBBNZDSBKK-UHFFFAOYSA-N 380.498 3.686 0 40 GHAB COc1ccc(Br)c(C(=O)NCCCn2cnc3ccccc32)c1 12489590 GJLMRSZVNNQPPJ-UHFFFAOYSA-N 388.265 3.628 0 40 GHAB CN1C(=O)N(C)[C@]2(c3ccccc3)N(c3ccccc3)C(=O)N[C@]12c1ccccc1 1253809 ODQIUXKUOIJIPS-DNQXCXABSA-N 398.466 3.919 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)Nc3ccc(SC(F)F)cc3)nc2n1 4313270 FBEWMMUMIAUEAT-UHFFFAOYSA-N 395.460 3.787 0 40 GHAB COc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3OC)C2)c1 4965637 WTPGPDCZFKGANR-HNNXBMFYSA-N 383.448 3.586 0 40 GHAB Cc1ccc(C)c(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c1 6032735 VQKSKJKIGHPXKX-UHFFFAOYSA-N 383.444 3.578 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 6441123 KZCBNXKVFOUFLE-UHFFFAOYSA-N 392.908 3.588 0 40 GHAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccccc1C(=O)O 6570827 PEPZXINJTVXBDP-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB CC(=O)c1cccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)c1 6789198 QBEVCIYNEGIMJT-UHFFFAOYSA-N 381.819 3.649 0 40 GHAB Fc1ccc(N2CC[C@H](CNc3ccc4nnc(-c5ccccc5)n4n3)C2)cc1 57151479 BSWRNNFKUCNLFE-MRXNPFEDSA-N 388.450 3.869 0 40 GHAB COc1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1786174 LHQGPUQIVWYNCF-UHFFFAOYSA-N 377.227 3.780 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 10275701 YZWBTMRVOFXLFY-CQSZACIVSA-N 375.490 3.795 0 40 GHAB O=C(c1ccc(Cl)cc1NCC(=O)N1CCc2ccccc21)N1CCCCC1 57779036 JYBDQBRQEWWPNN-UHFFFAOYSA-N 397.906 3.967 0 40 GHAB COc1ccc(C(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)cc1OC 8470210 IOPNUUZVTIFERC-UHFFFAOYSA-N 382.460 3.828 0 40 GHAB CCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1 8623539 XIQDOBJBNNAVOU-OALUTQOASA-N 375.557 3.824 0 40 GHAB biogenic,in-vitro COc1nc2ccccc2nc1N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2)C1 44803477 WVMLDCJOIMGYNG-WMZOPIPTSA-N 390.487 3.732 0 40 GHAB O=C1Oc2ccccc2N[C@@H]1CC(=O)N(C(=O)c1ccccc1)c1ccccc1 9264805 BOIRNFPNWDMNES-LJQANCHMSA-N 386.407 3.650 0 40 GHAB CC(C)c1ccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 113956831 BPIZTNILBJJJFJ-AWEZNQCLSA-N 378.469 3.742 0 40 GHAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 95463171 GFQGTCGGKLLYJY-UHFFFAOYSA-N 398.466 3.713 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)cc2Cl)cc1 20453312 QCIMHFVLTZMXPA-UHFFFAOYSA-N 380.897 3.835 0 40 GHAB COc1ccccc1NC(=O)c1cc2ccccc2cc1OCc1ncnn1C 72311193 POTVMLONHNJZQP-UHFFFAOYSA-N 388.427 3.808 0 40 GHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 2657417 BPVYLJIUUUPSTB-UHFFFAOYSA-N 389.622 3.846 0 40 GHAB Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2F)s1 2703620 XDJHAKNJCWQZRB-MRXNPFEDSA-N 393.399 3.842 0 40 GHAB CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1C(=O)OC(C)C 2748633 PYBWIVRQHRNOEB-KBPBESRZSA-N 379.478 3.790 0 40 GHAB C[C@@H](NC(=O)CCc1ccccc1)c1cc(O)n2nc(-c3cccs3)cc2n1 100769311 RLBBRBJUTATCMY-CQSZACIVSA-N 392.484 3.973 0 40 GHAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(-c2ccccc2)[nH]c1=O 61434910 VSJYFJXEYMEKQV-UHFFFAOYSA-N 379.803 3.700 0 40 GHAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(NC(=O)c2ccccn2)cc1 47250066 HROFAQQDULWYBC-UHFFFAOYSA-N 389.411 3.748 0 40 GHAB O=C(NCC[C@H](O)c1ccccc1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 72303065 UGHRZGBIVLEDGT-SFHVURJKSA-N 389.377 3.745 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 48252318 GMJFQZNFIOHBQV-HNNXBMFYSA-N 383.835 3.642 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c1 12775111 SVMSVKLIUJEKGI-UHFFFAOYSA-N 378.428 3.836 0 40 GHAB O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@H]1CCSc2c(F)cccc21 12728504 BLHXWDKTJAYENX-SFHVURJKSA-N 384.476 3.848 0 40 GHAB CCCN(C(=O)/C=C/c1sc2ccccc2c1Cl)[C@H]1CCS(=O)(=O)C1 12772482 YYZFYOMQHZQWAC-GWJCSSMESA-N 397.949 3.994 0 40 GHAB Cc1cc2n(C[C@H](O)COc3cccc4ccccc34)c(=O)c3ccccc3n2n1 12754241 BKFMQBBGMAVFLH-SFHVURJKSA-N 399.450 3.551 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(F)c(F)c1 12755439 PCXFZVUOBNKURC-CYBMUJFWSA-N 393.409 3.513 0 40 GHAB CC[C@@H](CNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O)c1ccccc1 12778193 NNJAQVAGWYZFGJ-INIZCTEOSA-N 379.435 3.604 0 40 GHAB CNC(=O)c1cc(C)ccc1NC(=O)[C@H](C)c1ccc(Br)cc1 95980642 XGGRDNUABKGALP-GFCCVEGCSA-N 375.266 3.859 0 40 GHAB CC(C)n1cc(CCCC(=O)NCCc2nnc3ccccn23)c2ccccc21 95480754 OLPKBNKUODDREQ-UHFFFAOYSA-N 389.503 3.947 0 40 GHAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc(Cl)c(Cl)c1 3318014 UQYNJSQSCFUYRZ-UHFFFAOYSA-N 392.194 3.895 0 40 GHAB CCS(=O)(=O)Nc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1 48375295 WRBTXBFFWYDRPC-UHFFFAOYSA-N 387.288 3.936 0 40 GHAB O=C(NCCCNc1ccccn1)Nc1cccc(-c2nc(C3CC3)no2)c1 48303313 YTERKUNYCHPBDN-UHFFFAOYSA-N 378.436 3.633 0 40 GHAB O=c1c2ccccc2c(-c2cccs2)nn1C[C@H](O)COCc1ccccc1 12876556 OLXXOTBLMICVNJ-KRWDZBQOSA-N 392.480 3.703 0 40 GHAB C[C@H](NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1)c1ccc(Br)cc1 12815972 WYLGQZFYQWXMHT-BUXKBTBVSA-N 388.261 3.798 0 40 GHAB O=C(OCC(=O)N1CCCC1)c1oc2ccccc2c1COc1ccccc1 3421540 KHIVXDYIWUMEHC-UHFFFAOYSA-N 379.412 3.791 0 40 GHAB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)NCCCc1ccccc1 3484589 XWZNDUJPGUSOMB-UHFFFAOYSA-N 389.451 3.965 0 40 GHAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc3c(c2)OCO3)o1 3580220 HPZCGHNKJRIYOP-UHFFFAOYSA-N 384.413 3.969 0 40 GHAB CCc1cccc(N2C[C@H](C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2=O)c1 13022927 KNUZCYWCCNSREE-QGZVFWFLSA-N 391.471 3.589 0 40 GHAB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1Cc1ccco1 13000425 AEWJVLTXZUBUOV-AWEZNQCLSA-N 379.416 3.718 0 40 GHAB COc1ncccc1CN1CC[C@@]2(C1)CN(Cc1ccccc1)c1cccnc12 306135814 PBUIMRCZGKDCMS-XMMPIXPASA-N 386.499 3.649 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 9237407 ZYTIPDGQRYGXDR-OALUTQOASA-N 393.516 3.910 0 40 GHAB CCc1ccc(CN(C(=O)c2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)cc1 5046358 VCVDJIWUOWIYON-IBGZPJMESA-N 391.920 3.732 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 4734756 MOCHKQGWIVBOBA-HXUWFJFHSA-N 377.444 3.823 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(C)c1)S2 6811782 AUXPRCTVVNDCKY-MSOLQXFVSA-N 379.489 3.547 0 40 GHAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1C 6887227 KIRDFMXGHKQDHU-NRFANRHFSA-N 384.863 3.915 0 40 GHAB Cc1csc([C@@H](C)NC(=O)N2CCC(CN3CCc4ccccc43)CC2)n1 95957625 GVEUHGMROMWYMU-MRXNPFEDSA-N 384.549 3.997 0 40 GHAB COc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1Br 8174714 WHBIIAADLMZXSU-UHFFFAOYSA-N 388.265 3.628 0 40 GHAB CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N1CCc2ccccc21 9663230 OZNQUCDPQPUKSK-MRXNPFEDSA-N 392.528 3.959 0 40 GHAB O=C(Nc1cccnc1Cl)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 18173570 ZVSXGPZFLHYFCX-GASCZTMLSA-N 383.835 3.667 0 40 GHAB Nc1c(C(=O)Nc2ccc(Br)cc2)nnn1-c1cccc(Cl)c1 9049052 KELLXUYXRYNALM-UHFFFAOYSA-N 392.644 3.518 0 40 GHAB O=C(CC1(CC(=O)c2ccc(Cl)s2)CCCCC1)N[C@H]1CCCNC1=O 89800110 BPBQJTONEKAZRH-ZDUSSCGKSA-N 396.940 3.710 0 40 GHAB CCOc1ccc(-c2cc3c(SCC(=O)N(CC)CC)nccn3n2)cc1 67290247 PENLOVMIOAWJIY-UHFFFAOYSA-N 384.505 3.756 0 40 GHAB C[C@@H]1CN(CCNC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 32903661 YXLWCBXPBUWEQS-LOWFTVKWSA-N 390.833 3.597 0 40 GHAB CN1CCN(c2ccc(NC(=O)C[C@H](c3ccsc3)n3cccc3)cc2)CC1 524735417 BBMSTHLWWNULAO-OAQYLSRUSA-N 394.544 3.920 0 40 GHAB COc1cccc(C(=O)NC2CCN(C(=S)Nc3cc(C)cc(C)c3)CC2)c1 35311166 UYPLKEWZRQRIJD-UHFFFAOYSA-N 397.544 3.903 0 40 GHAB O=C(CN1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCCC1 72358556 KBZCOASWSXORCP-KRWDZBQOSA-N 384.911 3.599 0 40 GHAB O=C(NCc1ccco1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 8180704 XASBCZNCDCINNC-WYMLVPIESA-N 382.441 3.622 0 40 GHAB COc1ccccc1-n1ccn2c(SCc3ccc(Cl)cc3)nnc2c1=O 64593049 JDTVFOWZWPVKGE-UHFFFAOYSA-N 398.875 3.835 0 40 GHAB CCOC(=O)c1c(C)nc(CO)c(C(=O)O)c1-c1cccc(Cl)c1Cl 77285359 YUUOWPFADBOBKZ-UHFFFAOYSA-N 384.215 3.731 0 40 GHAB in-vitro Cc1ccc(-c2noc(Cn3ccn4nc(-c5ccccc5C)cc4c3=O)n2)cc1 38652016 QABQICDEQRJPMF-UHFFFAOYSA-N 397.438 3.878 0 40 GHAB CCC(CC)c1nnc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)s1 40129352 RHTPNXAKDSHKRF-UHFFFAOYSA-N 381.523 3.876 0 40 GHAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)c3nccn3C)C2)n1 72356219 RKLSZWCXJVXZAC-LJQANCHMSA-N 392.478 3.873 0 40 GHAB Fc1ccc(C2(CNC(=S)Nc3cccnc3Cl)CCOCC2)cc1 224026454 JYQQIOWADUTPTJ-UHFFFAOYSA-N 379.888 3.909 0 40 GHAB CC(C)CNC(=O)c1ccccc1NC(=O)COc1cccc2c1CCCC2 223971445 SLWYPXZLTNZYRO-UHFFFAOYSA-N 380.488 3.969 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 223057531 PRANKPYLBIUTIO-FQEVSTJZSA-N 382.504 3.544 0 40 GHAB CC[C@H](C)NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224429419 DCJZGVFUBCVWDJ-AWEZNQCLSA-N 394.924 3.689 0 40 GHAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1C 223117199 VLMSLXLNBDBCLT-INIZCTEOSA-N 398.528 3.642 0 40 GHAB C[C@H]1C[C@H](C)CN(c2cc(N3CCCC3)nc(NC(=S)NC(C)(C)C)n2)C1 225894098 HHFQCGJZLCZBAY-GJZGRUSLSA-N 390.601 3.644 0 40 GHAB CCN(c1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1)S(=O)(=O)CC 222397959 VJLABISBETXVRK-UHFFFAOYSA-N 390.505 3.902 0 40 GHAB CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1cccc(Br)c12 96029452 XFZQTRARZWCPLT-UHFFFAOYSA-N 381.270 3.670 0 40 GHAB CN1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cncnc1 257200671 AEKOYVMIBCTQRN-QMDPOKHVSA-N 390.531 3.565 0 40 GHAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 257227357 FOXRSGULVKHJRL-LJQANCHMSA-N 385.533 3.577 0 40 GHAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)c3ncccc3C)CC2)n1 257240740 HUYJBSIVPKJGAR-UHFFFAOYSA-N 391.475 3.780 0 40 GHAB CC(C)Cc1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)[nH]n1 257199190 WDALTMWEEOLIFO-GKJHBJHPSA-N 382.552 3.643 0 40 GHAB COc1ccc(-n2ncc3c(N)c4c(nc32)C[C@@H](c2ccccc2)CC4=O)cc1 618257572 ZUWWWVOGFBDVII-OAHLLOKOSA-N 384.439 3.924 0 40 GHAB COc1ccc(CCNC(=O)N2[C@H]3CC[C@H]2CC2(CC2)C3)cc1OC(F)F 623540047 IRQQZCWNOQEIRV-GJZGRUSLSA-N 380.435 3.956 0 40 GHAB O=C(c1ccncc1)N1CCC[C@]2(CCCN2c2ncnc3ccsc23)CC1 585100022 CKVZQTIAZNBCCL-NRFANRHFSA-N 393.516 3.752 0 40 GHAB Cc1nc(Nc2ccccn2)cc([C@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 585292801 SKAROWWPNHDXJN-VYENPZKTSA-N 385.471 3.953 0 40 GHAB Cc1cccc(-n2c(C)nnc2SCC(=O)N2CCc3ccccc3C2)c1 5360003 VCGWTTSUXRQFFJ-UHFFFAOYSA-N 378.501 3.561 0 40 GHAB O=C(c1ccccc1F)N1CCC(Cn2nc(-c3cccs3)ccc2=O)CC1 12158105 OUNMLXBIUFFQHQ-UHFFFAOYSA-N 397.475 3.663 0 40 GHAB O=C(c1nn(-c2ccccc2C(F)(F)F)cc1O)N1CCc2sccc2C1 12216343 VOZFAIMNUCGHDJ-UHFFFAOYSA-N 393.390 3.857 0 40 GHAB COc1ccc2[nH]cc([C@@H]3CCC[C@H](NC(=O)CCn4nccc4C)C3)c2c1 12252495 JIFBMJVQKMKWFR-SJORKVTESA-N 380.492 3.914 0 40 GHAB O=C(Nc1nc(CN2CCCC2)cs1)c1ccc(OC[C@H]2CCCO2)cc1 12903739 MZWDGFKIQZRIPS-GOSISDBHSA-N 387.505 3.549 0 40 GHAB COC(=O)c1ccc(CN(C)Cn2nc(-c3cccs3)n(C)c2=S)cc1 13018298 UFZVBCUDMRRRIB-UHFFFAOYSA-N 388.518 3.556 0 40 GHAB O=C(COc1ccc(F)cc1)Nc1nnc(SCc2ccccc2)s1 14582548 UUMXJDDVFYAXSP-UHFFFAOYSA-N 375.450 3.987 0 40 GHAB COc1cc(OC)cc(OCC(=O)NC(c2ccccc2)c2ccccc2)c1 14734651 IIBIHPPJBCUVBH-UHFFFAOYSA-N 377.440 3.988 0 40 GHAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H]1c1nnc(-c2cccs2)o1 19344853 WUGJUHHRIIKOPE-ZDUSSCGKSA-N 397.428 3.602 0 40 GHAB C[C@H]1CCCCN1CCCNC(=O)c1cc(C2CCOCC2)c2cnccc2n1 19496372 CTQBWMJZGHCJPP-KRWDZBQOSA-N 396.535 3.518 0 40 GHAB Cc1sc(NC(=O)CN2CCC[C@@H]2Cn2cccn2)nc1-c1ccc(F)cc1 19658682 XYFFCXBBBXKXQG-QGZVFWFLSA-N 399.495 3.557 0 40 GHAB COc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1Br 6275130 HVQJEBINMZBXFA-FNORWQNLSA-N 381.251 3.577 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)OCc1ncc(-c2ccc(F)cc2)o1 17978618 QIGCPKKDIFYBQT-UHFFFAOYSA-N 389.404 3.631 0 40 GHAB Cc1ccc(C)c2sc(N3CCN(c4nc(O)cc(C(F)F)n4)CC3)nc12 1888903772 YHUDSXGZKQCSKW-UHFFFAOYSA-N 391.447 3.673 0 40 GHAB Cc1cccc(CN2CC[C@H]3NC(=O)COc4ccccc4CCCC[C@H]3C2)n1 2037843783 JINFGPKASCPGNS-RBBKRZOGSA-N 393.531 3.502 0 40 GHAB CCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)o1 1072231 BVHGZWPNCHBQBP-UHFFFAOYSA-N 391.489 3.983 0 40 GHAB CC(C)(C)NC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 1426704 KNDYEVATGZGGSL-UHFFFAOYSA-N 380.488 3.902 0 40 GHAB CCn1cc(C(=O)Nc2ccc(Br)cc2)c(=O)c2ccc(C)nc21 3381401 VDBJXINRCGAELJ-UHFFFAOYSA-N 386.249 3.740 0 40 GHAB COc1ccc(-c2cccc(NS(=O)(=O)c3cc(C)c(OC)cc3C)c2)nn1 4320243 BKAXGNXCEHZIFI-UHFFFAOYSA-N 399.472 3.578 0 40 GHAB COc1cc(C(=O)Nc2nc3c(F)cc(F)cc3s2)cc(OC)c1OC 4331542 HQCARICAKYCSHF-UHFFFAOYSA-N 380.372 3.853 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2ccc(C(F)(F)F)cc2OC)n1 4751752 LTNIHIAJRZPQFD-UHFFFAOYSA-N 388.367 3.528 0 40 GHAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCC1)c1ccc(F)c(Cl)c1 8899685 WRYNBAZINWDUBY-MRXNPFEDSA-N 388.917 3.656 0 40 GHAB Cc1ccccc1-c1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nn1 13666825 SNUSGUGRDHZUFW-UHFFFAOYSA-N 391.450 3.945 0 40 GHAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2C)c2ccccc21 17287493 WJIMCGCVOBRTBZ-UHFFFAOYSA-N 398.528 3.792 0 40 GHAB Cc1ccc([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)N2CCOCC2)cc1 23105772 JJUPYOCWEHDRJU-IBGZPJMESA-N 392.421 3.817 0 40 GHAB Cc1cccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)c1 9708957 OWHWKPBWUSCNCR-UHFFFAOYSA-N 380.427 3.643 0 40 GHAB CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 6558838 IMBPDUMBJKDSPJ-UHFFFAOYSA-N 394.496 3.784 0 40 GHAB C[C@H](Sc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 40153330 BUQVOQJERYRKFR-ZDUSSCGKSA-N 392.908 3.835 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 30849746 RCLQNGPJBUNWLM-UHFFFAOYSA-N 375.403 3.864 0 40 GHAB Cc1c(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cnn1-c1ccccc1F 31235497 KOWYPZJXYFTPMA-KRWDZBQOSA-N 378.451 3.576 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc(C)c1CC 100507460 WNONPYXRQSNKDT-JURCDPSOSA-N 391.489 3.647 0 40 GHAB CC(C)OC(=O)C[C@@H](NC(=O)CCn1cnc2ccccc21)c1ccccc1 31952925 ZDCDMSAYSHOORN-LJQANCHMSA-N 379.460 3.626 0 40 GHAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc2ccccc2[nH]1 32375287 QFFNRAYSCSPUMG-HXUWFJFHSA-N 383.879 3.625 0 40 GHAB CC1CCN([C@H](CNC(=O)c2cnn(-c3ccccn3)c2C(C)C)C(C)C)CC1 41400778 SRAHXZFITJPDMG-HXUWFJFHSA-N 397.567 3.877 0 40 GHAB CCOc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)OC)cc1 904752 NEVDGILWWRWMBZ-UHFFFAOYSA-N 399.472 3.510 0 40 GHAB C[C@@H]1CCc2c(sc3[nH]c(SCC(=O)NCc4ccccc4)nc(=O)c23)C1 1368099 RCIRMBWADAEJER-GFCCVEGCSA-N 399.541 3.518 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)N(CCc3ccccc3)[C@@H]3CCOC3)c2C)no1 79053936 VHXPJNZSEBLDIY-HXUWFJFHSA-N 393.487 3.864 0 40 GHAB CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1 106132607 CAXVNDBLBZHGTD-VQIMIIECSA-N 376.497 3.672 0 40 GHAB Cc1ccc(NC(=O)CSc2nc3ccccc3c3nc(C)nn23)c(C)c1 2969389 SLWGCMUZJVDSTM-UHFFFAOYSA-N 377.473 3.934 0 40 GHAB CC(C)c1nnc(SCC(=O)N2CCc3ccccc32)n1Cc1ccco1 25058101 SFTMIHFKVRLQHV-UHFFFAOYSA-N 382.489 3.724 0 40 GHAB COc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3SC)coc2c1 6156904 NDQNRTFNODGSNW-UHFFFAOYSA-N 385.441 3.888 0 40 GHAB CC(=O)c1ccccc1NS(=O)(=O)c1c(F)cc(F)cc1Br 6313322 OYONYGHLEBBLKQ-UHFFFAOYSA-N 390.205 3.731 0 40 GHAB Fc1cc(Br)ccc1NC(=S)NCc1ccc2c(c1)OCO2 6332751 GIKSEXXSHHLHIS-UHFFFAOYSA-N 383.242 3.804 0 40 GHAB C=CCOc1ccccc1/C=C1/SC(=S)N([C@H](C(=O)O)C(C)C)C1=O 6884189 YZBNKGPXIADMPZ-IPJDOKCGSA-N 377.487 3.562 0 40 GHAB Cc1cccc(C(=O)OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1N 7121926 URBVIHRSJXUQTR-UHFFFAOYSA-N 381.259 3.699 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1[nH]c2c(c1C)C(=O)CCC2)c1cccc(OC)c1 25860419 NYYZDDDBTOEMTJ-LJQANCHMSA-N 397.519 3.664 0 40 GHAB O=C(CC1(CC(=O)N2CCOCC2)CCCC1)Nc1ccc(Cl)cc1F 12567852 RGKKWXSQHHXYJM-UHFFFAOYSA-N 382.863 3.617 0 40 GHAB CCOC(=O)c1sc(NC(=S)NCCc2ccc(OC)cc2)cc1C 8073702 CGEDNQDAHJIYNR-UHFFFAOYSA-N 378.519 3.771 0 40 GHAB CC(=O)c1ccc(N2CCN(CC(=O)c3cc(C)n(C4CC4)c3C)CC2)c(F)c1 35414335 QIKHUWXHGBLHJD-UHFFFAOYSA-N 397.494 3.786 0 40 GHAB CCOc1ccc2nc(SCC(=O)Nc3cc(OC)ccc3OC)[nH]c2c1 12548874 JYWWAHCYBJNACC-UHFFFAOYSA-N 387.461 3.710 0 40 GHAB O=C(NCc1ccc(F)cc1)c1nnc(CN2CCC[C@H]2c2ccccc2)s1 26913226 NVSGAMTTXSUUNN-SFHVURJKSA-N 396.491 3.944 0 40 GHAB CCCCCOc1nc(N)nc2nc(SCC(=O)c3ccccc3)cnc12 2077964 MNCMHLNKCXOBGL-UHFFFAOYSA-N 383.477 3.546 0 40 GHAB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc(Br)cc1)C2O 27532868 YFYOTRZKZOSZQY-UHFFFAOYSA-N 393.369 3.738 0 40 GHAB CCN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)CC1 58148951 UEWMHXPOFTWGFQ-UHFFFAOYSA-N 388.515 3.685 0 40 GHAB O=C(CN1C(=O)COc2cc(Cl)ccc21)Nc1cccc(C(F)(F)F)c1 44841654 CZFCHFZCYIZSPH-UHFFFAOYSA-N 384.741 3.723 0 40 GHAB Cc1sc(CNC(=O)[C@H](C)NC(=O)C2CCC2)nc1-c1ccc(Cl)cc1 58354633 FEJBIDKNXOTHBF-NSHDSACASA-N 391.924 3.693 0 40 GHAB CS(=O)(=O)Nc1cccc(CNC(=O)c2ccccc2-c2ccccc2)c1 10548787 PABOZNUTYLLKFL-UHFFFAOYSA-N 380.469 3.655 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2N)c1 2361959 UYFUSUIDNBPRQZ-UHFFFAOYSA-N 381.505 3.822 0 40 GHAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 2448020 HATKBGWZGUDVGB-UHFFFAOYSA-N 381.505 3.951 0 40 GHAB Cc1nnc(Sc2cnn(-c3ccccc3)c(=O)c2Cl)n1-c1ccccc1 27755135 MCJXVYTZMXFXGC-UHFFFAOYSA-N 395.875 3.926 0 40 GHAB C[C@@H](c1ccccc1)n1cnnc1SCC(=O)N1CCc2sccc2C1 53840614 UWYWKUZBUKSMFJ-AWEZNQCLSA-N 384.530 3.626 0 40 GHAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN(CC)CC 2645157 ZPOULSNULNSCJI-UHFFFAOYSA-N 390.505 3.881 0 40 GHAB O=C(O)c1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1O 20151983 WRJNRPAKQXSCLV-UHFFFAOYSA-N 385.228 3.524 0 40 GHAB CCc1ccc(N(CC(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1 22361635 QWOXVKNPATVXSE-QGZVFWFLSA-N 388.533 3.509 0 40 GHAB CC(C)NC(=O)CSc1ccccc1C(=O)NC[C@@H](C)N(C)c1ccccc1 46949905 KGFBVOKXSPRQDG-QGZVFWFLSA-N 399.560 3.558 0 40 GHAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc(=O)[nH]c2ccccc12 48290701 WCXUTUQRUHFWNE-UHFFFAOYSA-N 382.370 3.545 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)CC(=O)Nc1cccc(F)c1 12752850 AAQXWJHBEVCIBM-NSHDSACASA-N 399.249 3.997 0 40 GHAB O=C(CNC(=O)c1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1 12770550 MWDXFMGRVWTORZ-UHFFFAOYSA-N 385.876 3.756 0 40 GHAB COc1ccc(CC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1OC 48362688 XVHPSVZBNABMQX-UHFFFAOYSA-N 396.487 3.691 0 40 GHAB CCc1ccccc1NC(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O 21379916 UQCOUJOPPKIFPJ-CQSZACIVSA-N 380.469 3.938 0 40 GHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(N2CCCC2=O)cc1 3459390 ZSUKHTDHBSVCIP-UHFFFAOYSA-N 383.536 3.732 0 40 GHAB Cc1ccc(CNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1F 12913832 CECPDDXRECUMIW-UHFFFAOYSA-N 381.904 3.876 0 40 GHAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 20258805 QIZNWBIQFOCSMV-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)Nc3ccc(OC4CCCC4)cc3)cnc12 12980577 ZCGDCZQOHGUSQR-UHFFFAOYSA-N 377.444 3.665 0 40 GHAB O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1ccc(Cl)c(Cl)c1 13017236 GYVRERSXQOBZQL-UHFFFAOYSA-N 396.299 3.717 0 40 GHAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)/C=C/SCc3ccco3)C[C@@H]21 96013998 CVERNKIOIZGMIW-ZAQMKBFOSA-N 392.521 3.788 0 40 GHAB CCOC(=O)N1CCN(C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 13692045 UITQVUVQAIEXHH-UHFFFAOYSA-N 393.896 3.686 0 40 GHAB COc1ccccc1-c1nnc(NC(=O)COc2ccc(Cl)cc2)s1 5296292 PYSOILLVBRMMCH-UHFFFAOYSA-N 375.837 3.885 0 40 GHAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)cc1 5302198 PPXJWZAYOYZWKR-LJQANCHMSA-N 388.379 3.848 0 40 GHAB CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2ccc(F)cc2)CC1 4576887 LIHIPJDKYVGEQP-UHFFFAOYSA-N 398.478 3.751 0 40 GHAB COc1ccc(OCCCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 4562983 NACSRWROEVUNLD-NRFANRHFSA-N 397.471 3.591 0 40 GHAB CCCC[C@@H](CC)CNC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C 14229521 OBKOEMLSZUTAQV-CYBMUJFWSA-N 385.434 3.635 0 40 GHAB COc1cccc([C@H]2CC(=O)N(c3cccc(OC)c3)c3c2sc(=O)n3C)c1 66089860 MVZGOWKDQZCDBF-QGZVFWFLSA-N 396.468 3.664 0 40 GHAB CCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccc(OC)cc1 4816981 MOFCTCKTOPCRAO-MOPGFXCFSA-N 392.459 3.773 0 40 GHAB c1cc(CNc2csnc2-c2nnc(Nc3ccc4c(c3)OCO4)o2)ccn1 15079670 DHWKFJNHYGYNGZ-UHFFFAOYSA-N 394.416 3.673 0 40 GHAB COc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)sc2c1 4943364 LQSNVIMYZIJCLN-AWEZNQCLSA-N 395.484 3.913 0 40 GHAB CCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1 67235877 ABLLBYJLTCNXLZ-UHFFFAOYSA-N 384.505 3.907 0 40 GHAB Cc1cccc(N(Cc2ccccc2)C(=O)Cn2cnc3sccc3c2=O)c1 7495309 ISPGLNLVXZWSBY-UHFFFAOYSA-N 389.480 4.000 0 40 GHAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 7587575 LKPRMJPJQNTKIR-INIZCTEOSA-N 377.488 3.749 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)N(CC(F)(F)F)[C@H](C)C3CC3)CC2=O)cc1 7737659 LBUNNVXAVNNLIL-UKRRQHHQSA-N 398.425 3.628 0 40 GHAB CCN(CC)C(=O)c1cccc(NC(=O)CSCc2c(C)noc2C)c1 69161647 WVWYZMSWCDVURE-UHFFFAOYSA-N 375.494 3.645 0 40 GHAB CCc1ccc(N(CCCC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cc1 113961810 VBPOJAAKYQMIQQ-UHFFFAOYSA-N 396.459 3.712 0 40 GHAB O=S(=O)(Cc1nnc(Cc2ccccc2)o1)c1ccc(Cl)c(Cl)c1 95962040 YXQTXHZSZLOZSP-UHFFFAOYSA-N 383.256 3.941 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc3ccccc3[nH]2)cc1C 69819466 PCZZJHQFAQSNLL-LJQANCHMSA-N 379.485 3.939 0 40 GHAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 8691425 VOOAMAVVWYIHRE-MRXNPFEDSA-N 376.865 3.956 0 40 GHAB aggregator CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1nnc2ccccc21 8714689 CNUZWLZWTDNXTH-UHFFFAOYSA-N 379.869 3.809 0 40 GHAB CCOc1ccc(CCC(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1OCC 20106036 KRCUUUHLNVIZCE-OALUTQOASA-N 390.568 3.901 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)N3CCC[C@@H]3c3ccccc3)C(=O)[C@@H]2C)cc1 9957750 NYYFEWCYLRJDEU-FXAWDEMLSA-N 391.471 3.516 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 9985921 OSGIZCIVUOIZPY-DHZHZOJOSA-N 379.456 3.839 0 40 GHAB CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)Nc1ccccn1)CC2 548022541 ZGPKKOOGRPIMLR-KRWDZBQOSA-N 384.505 3.578 0 40 GHAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1CCN(Cc2cccc(Cl)c2)CC1 23248942 VLFYJEQKEWNILC-MSOLQXFVSA-N 385.939 3.724 0 40 GHAB O=C(c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12)N1CCCC1 306142036 WNKMUWJEVWBBLW-LJQANCHMSA-N 388.471 3.548 0 40 GHAB COc1cc(C)ccc1CN1CCC[C@@H]1c1cncc(Nc2nncs2)n1 72376393 HPPZAYWISLKWJX-MRXNPFEDSA-N 382.493 3.726 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2nc(C)sc2-c2ccccc2)n1 79485450 HNOWUSPIWXCWBD-UHFFFAOYSA-N 387.486 3.933 0 40 GHAB COc1ccccc1Oc1nccnc1[C@@H]1CCCN(Cc2cnn(C)c2C)C1 72362581 RWANXUGWLQWSRB-QGZVFWFLSA-N 393.491 3.699 0 40 GHAB CCN(CC)[C@@H](CNC(=O)/C=C/c1cc(OC)cc(OC)c1)c1ccccc1 32902456 HTJCVZFNUUAYET-GNNUASRNSA-N 382.504 3.916 0 40 GHAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1nn(Cc2ccccc2F)cc1Cl 32610013 FJOPBXAUYGSMRZ-OLZOCXBDSA-N 379.819 3.553 0 40 GHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1nc(-c2cccc(C)c2)no1 219362151 MYTODDJMZABLOA-SFHVURJKSA-N 381.432 3.527 0 40 GHAB COC(=O)c1ccc(Cc2nc3sc(-c4ccccc4)c(C)c3c(=O)[nH]2)o1 45112019 ALAZKGMMZVQFAN-UHFFFAOYSA-N 380.425 3.930 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1 222683245 QZIZRCZFSWNESZ-ZDUSSCGKSA-N 395.286 3.536 0 40 GHAB O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1cccc(F)c1 42565663 PKGZVCSNJROSAW-UHFFFAOYSA-N 380.217 3.739 0 40 GHAB Cc1nc2nc3ccn(Cc4ccccc4)c(=O)c3c(-c3ccc(F)cc3)n2n1 40398566 HROIPDPIKUGRLG-UHFFFAOYSA-N 385.402 3.602 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)cc1 224140564 AKFSMCMHWAYAJI-HXUWFJFHSA-N 396.531 3.872 0 40 GHAB CCOc1ccc(-c2ccc(=O)n(CCC(=O)NCCC3=CCCCC3)n2)cc1 41254339 MRVIKGCXDNLMDV-UHFFFAOYSA-N 395.503 3.706 0 40 GHAB COc1ccc(NC(=S)NCc2nc(-c3cccc(C)c3)no2)c(OC)c1 225814526 LMVGXHVFCWLLNJ-UHFFFAOYSA-N 384.461 3.549 0 40 GHAB CCCCCn1nc(C(=O)NC[C@@H]2Cc3ccccc32)c2ccccc2c1=O 40150302 UMPBJQSHJBBQOG-KRWDZBQOSA-N 375.472 3.656 0 40 GHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 223289353 FMBLUBSTGDJFPA-NHCUHLMSSA-N 397.592 3.922 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 224008500 FKWQETZDIFDIRX-HUUCEWRRSA-N 388.961 3.827 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 224581863 LKFOQCWVAMQCCN-QFIPXVFZSA-N 396.531 3.798 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc(-c3ccccc3)cs2)C1 40161722 DNQHWSFQRBFCPX-HNNXBMFYSA-N 390.530 3.704 0 40 GHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2ccccc2)no1 223156053 PTLQSCRXOJTGHD-OAHLLOKOSA-N 377.444 3.699 0 40 GHAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1 224032652 JDFFEHCLTXVPMV-QFIPXVFZSA-N 380.532 3.995 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)c(C)c1 223578140 MNQWSAQBEOYDOR-UHFFFAOYSA-N 385.489 3.791 0 40 GHAB Cn1c(C[C@H]2CN(Cc3cccc(F)c3)CC[C@H]2CC(=O)O)nc2ccccc21 514288523 BXFXYANLTLCUOA-ROUUACIJSA-N 395.478 3.868 0 40 GHAB biogenic,in-vitro CCOc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)O2)cc1OCC 97987531 SXINKHAGHHVZRN-LFIBNONCSA-N 397.427 3.846 0 40 GHAB CC[C@](Br)([C@@H](O)c1ccc(Cl)cc1Cl)S(=O)(=O)CC 96521713 LDDAAYKPPKKIGU-NWDGAFQWSA-N 390.126 3.963 0 40 GHAB O=C(Cn1ccc2ccc(Br)cc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 96125597 JHGHITDBWYNVJX-BEFAXECRSA-N 391.309 3.557 0 40 GHAB biogenic Cn1ccnc1-c1cc(C[C@H]2CCCN(C(=O)CC3CCCCC3)C2)ncn1 257258995 KWJXKHJITCIEMG-GOSISDBHSA-N 381.524 3.629 0 40 GHAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1cc(-c2ccco2)on1 253406402 UKXCNBKYIAWRBV-SFHVURJKSA-N 386.454 3.724 0 40 GHAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(C1CCCCC1)CC2 253591091 JCOVILCFVSITPQ-ZTNFWEORSA-N 398.551 3.583 0 40 GHAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)Cc3cccs3)CCO2)n1 257331191 XRTPEYIKYRELPP-IBGZPJMESA-N 397.500 3.812 0 40 GHAB CCN(C)S(=O)(=O)c1c(C)nn(Cc2c(Cl)oc3ccccc23)c1C 622018188 BKGGEQYHXXYQHQ-UHFFFAOYSA-N 381.885 3.588 0 40 GHAB Cn1nc(-c2ccsc2)cc1NC(=O)N[C@H]1CCO[C@H](c2cccnc2)C1 653032228 COSUPHLSFZIGHP-RDJZCZTQSA-N 383.477 3.585 0 40 GHAB CCn1nccc1-c1nc(C2CCN(C(=O)c3ccc(Cl)s3)CC2)no1 390829449 YVZOUMAEWUUNIE-UHFFFAOYSA-N 391.884 3.688 0 40 GHAB CCc1ncnc(O[C@H]2CCN(C(=O)Nc3cc(Cl)ccc3OC)C2)c1F 575608175 WXHJLIGMFNFOQB-LBPRGKRZSA-N 394.834 3.525 0 40 GHAB COc1ccc([C@H](Cc2ccccc2)NC(=O)N2C[C@H](C)[C@@](C)(CO)C2)cc1 664927047 OMTMEYAEGFKGTH-JWNTYJGQSA-N 382.504 3.639 0 40 GHAB COc1cccc2sc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)nc12 5181715 HOZTVFBOPQXPLH-UHFFFAOYSA-N 393.921 3.982 0 40 GHAB CC[C@H](C(=O)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1)c1ccccc1 12129278 DIURKNZYYBYYDY-IBGZPJMESA-N 391.471 3.861 0 40 GHAB COc1ccc(C(C)(C)C)cc1CN1C[C@@H]2CCC[C@H](C1)C2(O)c1nccn1C 12219943 SGOFMINJDSUTOI-VXMMSVGHSA-N 397.563 3.846 0 40 GHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12806672 NRGBXMHNMSPXOI-UHFFFAOYSA-N 389.499 3.912 0 40 GHAB O=C(COc1ccccc1Cl)Nc1ccccc1C(=O)NCc1ccco1 13683755 LJHRPBVQVLLBFN-UHFFFAOYSA-N 384.819 3.881 0 40 GHAB O=C1N/C(=C/c2cc(Br)cc(Cl)c2O)C(=O)N1c1ccccc1 16488335 KUGBPWCXJCXRGT-NTUHNPAUSA-N 393.624 3.905 0 40 GHAB Cc1cccc(C)c1Nc1noc2c1CN(C(=O)CCCn1ccnc1C)CC2 19235769 JHPPNMXZSMSVFU-UHFFFAOYSA-N 393.491 3.905 0 40 GHAB COc1ccc(CN2CCC[C@H](c3noc(-c4cnc(C)cn4)n3)C2)c(C)c1C 19239029 KNBSSPPZWSWDTG-SFHVURJKSA-N 393.491 3.840 0 40 GHAB O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCCCC2)cc1 19716088 UWVDCXIBTLMAKN-UHFFFAOYSA-N 391.515 3.729 0 40 GHAB CCc1nc2ccccc2n1[C@H](C)C(=O)N1CCC(Cn2ccnc2C)CC1 19718450 RZDWVXOGOHZJHF-MRXNPFEDSA-N 379.508 3.603 0 40 GHAB Cc1cc(OC2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc(=O)o1 206972055 PVEKCVSHHYYOTC-UHFFFAOYSA-N 397.349 3.530 0 40 GHAB COc1cc(NC(=S)NC(=O)CC(C)C)ccc1-c1ccc(C(=O)O)o1 226351496 MHKCZEBTKMUCFD-UHFFFAOYSA-N 376.434 3.513 0 40 GHAB COc1cc(C)c(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1OC 12668515 SYTDYIMODCLBKZ-UHFFFAOYSA-N 394.475 3.837 0 40 GHAB C/C=C/c1ccc(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c(OC)c1 2647432 POGICSXTRHLAGR-VOTSOKGWSA-N 387.432 3.772 0 40 GHAB CC(C)c1ccc(C(=O)C[C@H](C(=O)O)N2CCN(Cc3ccccc3)CC2)cc1 19798949 LOADGWRGXBJSDK-JOCHJYFZSA-N 394.515 3.654 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2N)c(C)n1-c1nccs1 6060183 CDBHUTUMSUDJRX-UHFFFAOYSA-N 389.864 3.826 0 40 GHAB O=C(NCc1cn2ccccc2n1)c1cc2ccccc2cc1NC(=O)C1CC1 23754679 PGBIPFMJHFELKM-UHFFFAOYSA-N 384.439 3.766 0 40 GHAB Cc1ccc(N2C(=O)N(CN(C)Cc3ccc(Cl)s3)C(=O)[C@@H]2C)cc1 24601240 SEIYACCKFVRRDP-ZDUSSCGKSA-N 377.897 3.957 0 40 GHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)Cc3cccc(Cl)c3)C2)cc1C 2037912997 JZLNKMIFIHUXMQ-QFIPXVFZSA-N 387.907 3.932 0 40 GHAB Cc1nn(CCNC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)c1-c1ccccc1 253475454 TUZBJMONLSNPND-PKNBQFBNSA-N 389.455 3.725 0 40 GHAB CCOCC(=O)Nc1ccc(-c2nnc(N(C)c3ccc(OC)cc3)s2)cc1 11797110 XUVYDMLEFNUURH-UHFFFAOYSA-N 398.488 3.957 0 40 GHAB COC(=O)c1cc2c(nc1-c1cccnc1)CCN(CC1CCCCC1)CC2 2055782271 YPVHWOFKVMTFRH-UHFFFAOYSA-N 379.504 3.911 0 40 GHAB CCOc1ccc(CN(C)C(=O)Cc2cc(C(C)=O)ccc2OC)cc1OC 31197047 KWPTXSOMVOJTSU-UHFFFAOYSA-N 385.460 3.506 0 40 GHAB CSc1ccc(Cl)c(C(=O)N2CCN(Cc3csc(C)n3)CC2)c1 31259286 FJBOGCQRGNKIPF-UHFFFAOYSA-N 381.954 3.785 0 40 GHAB CN(C)C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 31496051 CIAZBLYVTFXOQJ-HXUWFJFHSA-N 381.501 3.755 0 40 GHAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN[C@H](c1ccc(C)cc1)C1CC1 32899661 UJUICAPUAMIEGM-NFBKMPQASA-N 383.488 3.687 0 40 GHAB Cc1cc(C(=O)CSc2nnc(-c3nnc(-c4ccccc4)o3)o2)c(C)n1C 32922497 TZQURONNPDTHOD-UHFFFAOYSA-N 395.444 3.717 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c(C)c2c1 103244295 JFVXXFIRLHPRNA-LLDVTBCESA-N 385.460 3.848 0 40 GHAB O=C(CSCc1cccc(Cl)c1)NC1CCN(C(=O)c2ccoc2)CC1 22900571 KGKQDYFKLITISO-UHFFFAOYSA-N 392.908 3.587 0 40 GHAB O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@H](c2ccccc2O)O1 710015 RZQUKKIOXLJTJB-CVDCTZTESA-N 391.423 3.943 0 40 GHAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CNc1ccccc1 725176 IVZXDEWHZPGXHY-BWWMBTDCSA-N 380.447 3.948 0 40 GHAB O=C(NCCc1ccccc1)[C@H]1CCCC[C@H]1C(=O)OCC(F)(F)C(F)F 1085155 FLEBOZRMEYFCKM-LSDHHAIUSA-N 389.389 3.595 0 40 GHAB Cc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCC(C)CC2)cc1 1330595 BTFWHFYEQLSTMW-NRFANRHFSA-N 379.483 3.990 0 40 GHAB COc1ccc(Cn2nc(-c3ccccc3)c(N3CCCCC3)cc2=O)cc1 1383885 KLSIBQJBZWIHBZ-UHFFFAOYSA-N 375.472 3.958 0 40 GHAB O=C1OCC2=C1[C@@H](c1c(F)cccc1Cl)CC(=O)N2c1cccc(F)c1 1429770 WWUPAJFIHDAEHY-GFCCVEGCSA-N 375.758 3.950 0 40 GHAB CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)O 2103490 MANXQZCGQHSQKH-QGZVFWFLSA-N 399.443 3.767 0 40 GHAB biogenic O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(OC(F)(F)F)cc1 2561861 RDTWOTFBFJMMNH-UHFFFAOYSA-N 384.379 3.588 0 40 GHAB Cc1c(C(=O)NCc2ccccc2F)sc2nc3n(c(=O)c12)CCCCC3 2645271 LLBASGOKEGNUKS-UHFFFAOYSA-N 385.464 3.562 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)o2)cc1 3322377 HBYSONFLFZUJJY-JTQLQIEISA-N 388.474 3.876 0 40 GHAB O=c1c2ccccc2nnn1COc1ccc2cc(Br)ccc2c1 3361763 LWMKIIYMWLSBLF-UHFFFAOYSA-N 382.217 3.744 0 40 GHAB CCCCOc1ccc(C(=O)N[C@H](C)[C@H]2COc3ccccc3O2)cc1OC 4163889 IWOYIVRYVLATFW-QVKFZJNVSA-N 385.460 3.832 0 40 GHAB COc1ccc(-c2nnc3sc(COc4ccc(C)cc4)nn23)cc1OC 4938735 KWDBYOBCWFFZEO-UHFFFAOYSA-N 382.445 3.757 0 40 GHAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1 5734825 ZIUBEHUJKNKJAL-OAHLLOKOSA-N 391.464 3.918 0 40 GHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NC3CCCCC3)o2)cc1OC 6035681 YLMCDMRPSNPSCJ-GFCCVEGCSA-N 391.493 3.683 0 40 GHAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1cccc(Br)c1 7063723 IBHYLJBTCOHPOR-UHFFFAOYSA-N 389.249 3.593 0 40 GHAB COCCN1C(=O)S/C(=C/c2ccccc2OCCOc2ccccc2)C1=O 8104553 JUVWIXDKMDZHHC-XDJHFCHBSA-N 399.468 3.827 0 40 GHAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)Nc1ccc2c(c1)OCO2 8120989 POOPRQVDERDAPC-UHFFFAOYSA-N 390.395 3.685 0 40 GHAB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CC3)c2C)sc(C)c1C 8334773 PCUKTQGBJUCZEN-CXUHLZMHSA-N 397.500 3.745 0 40 GHAB COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCC(=O)O 8570811 QETYORLLGUMDEZ-DJKKODMXSA-N 378.222 3.980 0 40 GHAB Cc1cccc2cc(CN(CCCO)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c12 8716796 FQTWCLMMQRCMNF-UHFFFAOYSA-N 399.878 3.906 0 40 GHAB Cc1cccc(Cc2cnc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)s2)c1 8768055 LTOWAWRTAATYNX-GOSISDBHSA-N 378.453 3.763 0 40 GHAB Cc1ccc2[nH]c(=O)c(CN(CC(C)C)S(=O)(=O)c3ccccc3)cc2c1 9451510 GYIKJCCPGSMZND-UHFFFAOYSA-N 384.501 3.683 0 40 GHAB Cc1cnc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)s1 10628559 OXCLEZSPUSCXJP-LLVKDONJSA-N 387.408 3.912 0 40 GHAB Nc1cc2ccccc2nc1[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 12088006 BFEDXULYRXIXHM-KRWDZBQOSA-N 389.455 3.608 0 40 GHAB O=C(CN1CCC(n2cnc3cccnc32)CC1)Nc1cccc2ccccc12 12144596 AJGSULCSQDGKGK-UHFFFAOYSA-N 385.471 3.860 0 40 GHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C)cc1 12605527 PTVJQINYOMGTNQ-UHFFFAOYSA-N 388.489 3.573 0 40 GHAB Cc1nc(C)c(-c2nnc(SCC(=O)N3CCC(c4ccccc4)=N3)o2)s1 12825528 BTLQRIKSNVAGBD-UHFFFAOYSA-N 399.501 3.539 0 40 GHAB CCC(CC)NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 12851355 JZTUXBHDBNVFCA-UHFFFAOYSA-N 386.517 3.747 0 40 GHAB O=C(Nc1ccccc1)N1CCC(C(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 12853557 NTELTYSYZWTMAJ-HNNXBMFYSA-N 383.414 3.731 0 40 GHAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(-n2cncn2)cc1 12973512 VMLFGJYFEYXSQT-GFCCVEGCSA-N 375.259 3.994 0 40 GHAB CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3nc(-c4ccccc4)no3)C2=O)cc1 13096645 CRYUDSHWRAYNAD-QFIPXVFZSA-N 390.443 3.827 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 13527147 WSIKWQSZDQBDJD-UHFFFAOYSA-N 378.428 3.755 0 40 GHAB O=C(NC1CCCCCCC1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944958 DIOKIQLGVYFFET-KRWDZBQOSA-N 399.510 3.927 0 40 GHAB COc1ccc(CCC2CCN(CN3C(=O)C(=O)c4ccccc43)CC2)cc1 14184017 HFKPVEYBIDIEDW-UHFFFAOYSA-N 378.472 3.527 0 40 GHAB CCOC(=O)C1CCN(Cn2nc(Nc3ccc(F)cc3)sc2=S)CC1 14189395 BBQGYKSKPWGDLK-UHFFFAOYSA-N 396.513 3.789 0 40 GHAB Cc1ccccc1OCCN(C)S(=O)(=O)c1ccc(Br)s1 15364189 GBRRSJBQOZXEMJ-UHFFFAOYSA-N 390.324 3.519 0 40 GHAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cc(C)cc(C)c3)c2)nn1 15880853 YIOVFRXFBBEARX-UHFFFAOYSA-N 395.484 3.806 0 40 GHAB CCc1nn(CC(=O)Nc2cccc(Cl)c2C)c(=S)n1-n1cccc1 16777753 JKERAPGTFRTJOO-UHFFFAOYSA-N 375.885 3.690 0 40 GHAB COC(=O)c1sc(NC(=S)N[C@H](C)c2ccccc2)c(C(=O)OC)c1C 17080192 OEFRRYOPCPRSQY-LLVKDONJSA-N 392.502 3.677 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2C)cc1 19239631 CIZHDDSIGFPWQW-HXUWFJFHSA-N 376.460 3.695 0 40 GHAB O=C(CCc1ccncc1)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 19370501 UHUCSFJLJVXNDA-NRFANRHFSA-N 388.467 3.886 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O 19666944 QNDPJNKYRBJAMS-GOSISDBHSA-N 380.831 3.949 0 40 GHAB COc1cccc([C@H]2CCCN2C(=O)c2cc(C)nc(N3CCCCC3)n2)c1 19718752 VJJPRUJVIZXKDL-HXUWFJFHSA-N 380.492 3.761 0 40 GHAB CCn1c(=O)n(CC)c2cc(-c3cncn3CCCn3nc(C)cc3C)ccc21 19719644 XWSXBOVSQCQHDA-UHFFFAOYSA-N 392.507 3.610 0 40 GHAB O=C(N[C@H](C(=O)Nc1nccs1)c1ccccc1)c1cc2ccccc2o1 20727728 DMCLGTSTCJUWOY-KRWDZBQOSA-N 377.425 3.999 0 40 GHAB O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@@]12CC(O)=Nc1[nH]ncc12 20730850 SLUNIZDZMHZVDJ-HXUWFJFHSA-N 378.819 3.888 0 40 GHAB CC(C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 20767026 CUWHMWSRGNIMOA-UHFFFAOYSA-N 392.908 3.620 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)/C=C/c1ccsc1 22653734 ZWMCTVHTCUSHBC-GORDUTHDSA-N 379.279 3.587 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(CC(C)(C)C)o3)C2)cc1C 23140387 DUZSYXKFQZGJII-MRXNPFEDSA-N 391.537 3.843 0 40 GHAB Cc1cc(C)c2nc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1 23708466 CRJOKONASMRIMM-UHFFFAOYSA-N 379.441 3.819 0 40 GHAB CN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1COc2ccccc2C1 24352357 VPHYBITXBNUHID-HNNXBMFYSA-N 390.277 3.538 0 40 GHAB CC(C)Cc1noc(CSc2nnc(COc3ccc(Cl)cc3)n2C)n1 24837895 JJNHZZFNQQMDDY-UHFFFAOYSA-N 393.900 3.921 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CCSc1nnnn1C1CCCCC1 24900744 KPRVLEJCSJZMGK-UHFFFAOYSA-N 395.916 3.961 0 40 GHAB Cc1c(C(=O)Nc2cccc(N3CCOC3=O)c2)cnn1-c1ccc(F)cc1F 24985386 BIHSJXUXKVHLQB-UHFFFAOYSA-N 398.369 3.668 0 40 GHAB O=C1O[C@H](C(=O)Nc2c(-c3ccccc3)nc3sccn23)Cc2ccccc21 25740746 MJNDXSNUDUKMHE-INIZCTEOSA-N 389.436 3.783 0 40 GHAB O=C(COc1cccc(Br)c1)Nc1ccc(NC(=O)C2CC2)cc1 27125675 RGVVMJBSDZCHFZ-UHFFFAOYSA-N 389.249 3.815 0 40 GHAB CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1cccc(Cl)c1C 27127801 HSFURSKADQWCHY-UHFFFAOYSA-N 389.883 3.556 0 40 GHAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N3CCOCC3)c12 29511376 NOMKYUZDBKWRAK-UHFFFAOYSA-N 391.349 3.689 0 40 GHAB Cc1c(-c2ccccc2)oc2c(C(=O)NCCCn3cccn3)cccc2c1=O 30171899 PONUSGVBIUSLIG-UHFFFAOYSA-N 387.439 3.785 0 40 GHAB Cc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc2ccccc2c1 30757042 MTXNVRPJYUDDPU-UHFFFAOYSA-N 377.469 3.812 0 40 GHAB CCc1c(C)sc2nc(N3CCOCC3)n3nc(-c4ccccc4)nc3c12 32074752 WGRRLSIGURBRCH-UHFFFAOYSA-N 379.489 3.713 0 40 GHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(C(=O)OCC(C)C)cc1 32124190 YGHQDYRYMZPLGN-IBGZPJMESA-N 385.416 3.798 0 40 GHAB biogenic CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(COc2ccc(F)cc2)o1 32966957 BXHKWLOXKAVCNQ-SFHVURJKSA-N 397.402 3.910 0 40 GHAB CC(=O)NCCC(=O)Nc1ccccc1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 34870145 DEHYXRYIDLVBHX-WRWLIDTKSA-N 388.508 3.769 0 40 GHAB COc1ccc(CCNC(=O)Nc2ccccc2NC(=O)c2ccccn2)cc1 38490150 VHPGRVRHSMCPEW-UHFFFAOYSA-N 390.443 3.707 0 40 GHAB O=C1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)Oc2ccc(Cl)cc21 39226655 VABPJCQSJGTQBZ-UHFFFAOYSA-N 399.830 3.709 0 40 GHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)COc1cccc2ccccc12 40052677 NJQKRSHRCYMSEW-MRXNPFEDSA-N 397.496 3.842 0 40 GHAB C[C@H](NC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1F 40067823 PYRBHTTVWUDIQB-UONOGXRCSA-N 378.469 3.693 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)[C@H](C)n1ccnc1 40144095 QKPPSEWUYGWBAD-INIZCTEOSA-N 385.899 3.618 0 40 GHAB COC(=O)c1cc(CN(C)C(=O)c2ccc(-n3ccnc3SC)cc2)oc1C 44384341 KTRJNVHAUZAZPZ-UHFFFAOYSA-N 399.472 3.554 0 40 GHAB CCOc1ccccc1Nc1nnc(Sc2cc(Cl)nc(N)n2)s1 45011212 UTTOZCWWJZCJGY-UHFFFAOYSA-N 380.886 3.857 0 40 GHAB Cc1nc(S[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)n(CC(C)C)c1C 45527719 MYSHMFHJOGSMSG-CQSZACIVSA-N 387.505 3.850 0 40 GHAB CC(C)c1cccc(O[C@H](C)C(=O)NCc2cccc(N3CCOC3=O)c2)c1 48374809 POGNDXAHQJVCQL-MRXNPFEDSA-N 382.460 3.850 0 40 GHAB CCOc1ccccc1NC(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21 51316188 KMSVPZFTFTWSEH-UHFFFAOYSA-N 382.460 3.747 0 40 GHAB CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 52410882 KWOBNFCRHJRFKD-UHFFFAOYSA-N 396.896 3.631 0 40 GHAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccc(CC)cc4)nc3c2)C1 57326927 WLHBPUXTPDJAQV-MRXNPFEDSA-N 378.428 3.973 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@H]2CCN3CCCC[C@H]23)cn1 58112526 WTSWGOZLUAMXPV-ZWKOTPCHSA-N 396.491 3.939 0 40 GHAB Cc1c(C(=O)NCc2ccc(O)cc2)cnn1-c1cccc(C(F)(F)F)c1 58145003 CCFBGSDHMCDOPU-UHFFFAOYSA-N 375.350 3.835 0 40 GHAB CC(=O)N1c2ccc(S(=O)(=O)Oc3ccccc3C(F)(F)F)cc2C[C@@H]1C 58530348 CJSMORVFWJDSLU-NSHDSACASA-N 399.390 3.771 0 40 GHAB COc1cc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)cc(OC)c1OC 61722049 LQNIVCBCGZXBAP-UHFFFAOYSA-N 398.463 3.678 0 40 GHAB Cc1cc(=O)oc2ccc(OCC(=O)Nc3ccc4c(c3)CCCN4C)cc12 64844429 NTTMSARGIDXNGI-UHFFFAOYSA-N 378.428 3.501 0 40 GHAB C[C@@H](Cc1cccs1)NC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 65390352 YSTGQOBCPDXPPY-AWEZNQCLSA-N 381.457 3.621 0 40 GHAB COc1cccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cccc(F)c4)c32)c1 66087886 XRIBKVUXEIRBMB-MRXNPFEDSA-N 380.375 3.797 0 40 GHAB Cc1ccn2ncc(C(=O)Nc3nc(C)c(Cc4ccc(F)cc4)s3)c2n1 68671942 GLVHLDYCMVSDNC-UHFFFAOYSA-N 381.436 3.785 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1sc(-c2ccncc2)nc1C 71281683 MRARFFVSHJPSNY-UHFFFAOYSA-N 382.445 3.733 0 40 GHAB COc1cccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2csc(C)n2)c1 72380373 QBLGWFHJZXCITG-GOSISDBHSA-N 382.489 3.756 0 40 GHAB Cc1nc2scc(C3CC3)n2c1CNCc1ccc(CN2CCOCC2)cc1 95432709 CSSFYFRDFCNEJU-UHFFFAOYSA-N 396.560 3.704 0 40 GHAB Cn1cc(CN2C[C@H](OCc3nc4ccccc4n3C)[C@H](F)C2)c2ccccc21 96112200 BGLNPNQJPOXYAG-GCJKJVERSA-N 392.478 3.804 0 40 GHAB biogenic,in-vitro CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCC(Cc3ccccc3)CC1)C(=O)C2 100220660 CMJBXHCEWSTHJG-KNQAVFIVSA-N 389.561 3.666 0 40 GHAB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccco3)[C@H]2C(=O)N1c1ccccc1 100563668 CWZHOIMVEOWUSX-QYZOEREBSA-N 394.814 3.984 0 40 GHAB COc1ccc(C)cc1CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 100750276 JASBZPIQGMDCNE-IXFSTUDKSA-N 381.520 3.564 0 40 GHAB COc1ccc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cc(OC)cc(OC)c2)C3)cc1 100766763 RUMSCJGFQBWRAG-WOJBJXKFSA-N 397.515 3.832 0 40 GHAB COC(=O)[C@H]1C(=O)[C@@H](Sc2ccc(Cl)cc2)C(=O)C[C@H]1c1ccccc1 101034464 GDCAUZKTHGMTTM-WDYCEAGBSA-N 388.872 3.916 0 40 GHAB Cc1csc2nc(COC(=O)C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)cc(=O)n12 102412963 OMRDQTWYEREXEX-NYYJTOMGSA-N 392.908 3.685 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113951691 VEXCFDSFTXOIMG-NRFANRHFSA-N 381.520 3.851 0 40 GHAB Cc1ccc(C)c(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 113964961 BHJDFZLOTPSVHC-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 219293031 QBMKIHBOYWDDDG-ACJLOTCBSA-N 395.908 3.778 0 40 GHAB CC(C)[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 225215612 PUQJTCNRBWBCHF-CYBMUJFWSA-N 380.897 3.915 0 40 GHAB S=C(NCc1nc(-c2ccccc2)no1)Nc1ccc(Br)cc1 225813073 ABIGGPUIRKKUFK-UHFFFAOYSA-N 389.278 3.986 0 40 GHAB CCCCOc1ccc(C(=O)Nc2cc(N)ccc2N2CCN(CC)CC2)cc1 226259979 WCJUPRUJRBWWJL-UHFFFAOYSA-N 396.535 3.842 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)C)no2)CC1 257210207 BTQNSDKQEFHXHE-FIKGOQFSSA-N 398.507 3.607 0 40 GHAB O=C(c1cccnn1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257263586 LQQYEUOBXBMZQY-HNNXBMFYSA-N 382.851 3.729 0 40 GHAB CN([C@H](C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1)S(C)(=O)=O 260763831 HDZIQIRFTVHMQN-HNNXBMFYSA-N 387.288 3.565 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2CN(Cc3ccncc3)C[C@H]21 306138396 RWKIDDQKGHFJSW-RBBKRZOGSA-N 394.471 3.643 0 40 GHAB O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCOCC1 408978240 LYWMVWARAZAMDC-UHFFFAOYSA-N 375.384 3.622 0 40 GHAB CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 409407805 ABNGEJGWRQXQEQ-UHFFFAOYSA-N 380.897 3.897 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccccc1O 409412090 QZTGTLHPQVUXGT-UHFFFAOYSA-N 390.415 3.680 0 40 GHAB CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@H](OC(F)F)C3)cc2s1 585080480 ZSNUKXKNVCFTOR-JTQLQIEISA-N 390.477 3.596 0 40 GHAB CC(=O)Nc1cccc(-c2cnc3n2CCN(C(=O)CC2CCCCC2)CC3)c1 585111173 HOOKQRYVDUNNHS-UHFFFAOYSA-N 394.519 3.864 0 40 GHAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(C(=O)c3ccc(C)nc3)CC2)c1 585272209 LZXRMWGJZWFIEV-NRFANRHFSA-N 388.895 3.788 0 40 GHAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(C(=O)c3ccc(C)nc3)CC2)c1 585272212 LZXRMWGJZWFIEV-OAQYLSRUSA-N 388.895 3.788 0 40 GHAB C[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccccc1 1128185235 CEWKLUTVIQRRTO-CZUORRHYSA-N 376.378 3.731 0 40 GHAB Cc1ccc(N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1 1775971556 UTPTZSKJZQAFDY-UHFFFAOYSA-N 380.879 3.521 0 40 GHAB CSc1ncc(Br)c(N2CCC[C@@H](COc3ccncc3)C2)n1 1889122754 DDZODLPQGMBEPI-GFCCVEGCSA-N 395.326 3.651 0 40 GHAB O=c1oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2s1 645715 FRYGKSXSBLOGMN-UHFFFAOYSA-N 376.242 3.962 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc(I)cc2)c(C)c1 682249 HLDRSBQAVYNBJS-UHFFFAOYSA-N 381.213 3.926 0 40 GHAB Cc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 878824 RQNYUYLPQMJPJU-UHFFFAOYSA-N 395.528 3.645 0 40 GHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1 886866 CAOUPFUTEZZXPC-UHFFFAOYSA-N 397.456 3.953 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C[C@H]1CCCO1)Nc1cccc(Cl)c1 1364645 DRZWRBZBZJFJOR-OAHLLOKOSA-N 392.912 3.719 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc1C 2369244 YAILGXIGLZRXOV-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccccc1 3240577 ZODIJZRSZBTDBX-SFHVURJKSA-N 393.464 3.515 0 40 GHAB CCN(Cc1ccncc1)Cn1nc([C@@H]2COc3ccccc3O2)oc1=S 3244606 MKZHUAAGFYSUAB-KRWDZBQOSA-N 384.461 3.593 0 40 GHAB CCOc1ccccc1N1C[C@@H](C(=O)N[C@H]2CCCc3ccccc32)CC1=O 3363575 RPYQMONEPFSIEL-HKUYNNGSSA-N 378.472 3.632 0 40 GHAB CCC(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@H]1c1ccccc1 4036262 VPICDTXEJQOOAB-IBGZPJMESA-N 385.489 3.536 0 40 GHAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)C3=COCCO3)nc12 4273245 SXJRBJVKNZCXRW-UHFFFAOYSA-N 397.456 3.511 0 40 GHAB CN(C)CCN(C(=O)CCOc1ccccc1)c1nc2ccc(F)cc2s1 4359163 FPQUQBXXRWGEMW-UHFFFAOYSA-N 387.480 3.799 0 40 GHAB CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccc(C)cc1 4690840 JMQFRQPJDNLFOM-UHFFFAOYSA-N 380.517 3.724 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2C)c1 4947610 PFEBXJSYMGBWIZ-CYBMUJFWSA-N 384.461 3.705 0 40 GHAB CC[S@](=O)c1ccccc1C(=O)OCc1cc(=O)oc2cc(C)c(C)cc12 5219222 FBHFFCXNFQOHGM-HHHXNRCGSA-N 384.453 3.894 0 40 GHAB CC(C)n1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)COC(C)(C)C3 5274482 ATXRQSFRBXMINC-UHFFFAOYSA-N 384.501 3.705 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 6553397 QALSOSLFXHQAFV-UHFFFAOYSA-N 390.414 3.767 0 40 GHAB CC(=O)NCc1ccc(-c2csc(Cc3nc4ccccc4n3C)n2)s1 7119375 YUPGFAHMNSFJAZ-UHFFFAOYSA-N 382.514 3.985 0 40 GHAB CN(C)C(=O)[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccccc1 7799992 YTZMHTGEXMTNNK-KRWDZBQOSA-N 379.489 3.597 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1F 7946361 JYNILDADWBKUAE-UHFFFAOYSA-N 396.871 3.906 0 40 GHAB O=C(CCCOc1cccc(Br)c1)NCCOc1ccccc1 7984848 JISBKGILEFOARN-UHFFFAOYSA-N 378.266 3.803 0 40 GHAB C[C@H]1CCN(C(=O)CSc2nnnn2C2CCCC2)c2ccccc2S1 8339811 NKXLDOLFFQEICY-ZDUSSCGKSA-N 389.550 3.798 0 40 GHAB CCCOc1ccc(CN(CCC)C(=O)c2ccc3[nH]nnc3c2)cc1OC 8391560 CTTDCRXLGAGLRD-UHFFFAOYSA-N 382.464 3.808 0 40 GHAB CCn1c(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nc2ccccc21 8461268 JKDMBMCTVFWPGK-UHFFFAOYSA-N 382.489 3.595 0 40 GHAB CC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)o2)c1 8477283 FXOJAUATXICGNB-LDADJPATSA-N 392.411 3.554 0 40 GHAB COc1cccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 8499683 QHQLHEXDQNVVKC-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB COc1ccc(N2C[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)cc1 8782405 KHPNBWWDZDLBKV-HXUWFJFHSA-N 392.499 3.529 0 40 GHAB O=C(Cn1ncc(=O)c2ccccc21)Nc1c(Cl)cccc1C(F)(F)F 8945145 BTRSOKBPMGMYOS-UHFFFAOYSA-N 381.741 3.707 0 40 GHAB COc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2Oc2ccccc2)cc1 10219374 XZYSVVWDQGRYCM-UHFFFAOYSA-N 397.452 3.900 0 40 GHAB Cc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1NS(C)(=O)=O 10369818 ZMNCVGJYQBENGF-UHFFFAOYSA-N 394.496 3.886 0 40 GHAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(-c2ccc(Cl)cc2)o1 11116464 DNAVHUSRIUJYMB-UHFFFAOYSA-N 397.862 3.762 0 40 GHAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(F)c(F)c3F)n2)cc1 11370841 PCRNJCBONNTBHP-UHFFFAOYSA-N 377.322 3.734 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1cc(F)ccc1F 11612611 SXSBYQJOWBATHD-HNNXBMFYSA-N 394.443 3.537 0 40 GHAB Cc1cccc(C(=O)NCCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 11738381 PLZIDZRFYCHQFP-UHFFFAOYSA-N 381.863 3.692 0 40 GHAB CC(=O)Nc1cccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)c1 11835332 SWUYDSORHCDVCX-UHFFFAOYSA-N 398.444 3.518 0 40 GHAB CCCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2OC)cc1 12062745 VKMOMDHTDNJDCF-AWEZNQCLSA-N 397.431 3.940 0 40 GHAB Cc1nn(C)c(C)c1-c1cc(C(=O)NC2(c3cccc(F)c3)CCCC2)[nH]n1 12116863 SUULOOFASIDOPV-UHFFFAOYSA-N 381.455 3.765 0 40 GHAB CCn1c2cc(C)sc2c2cnn(CC(=O)N3[C@H](C)CCC[C@H]3C)c(=O)c21 12156863 CUIYMLLAZJNZNW-CHWSQXEVSA-N 386.521 3.531 0 40 GHAB CCC[C@H](NC(=O)c1cc2c([nH]c1=O)CCCCC2)c1ccc2c(c1)OCCO2 12205425 TTYIHHWWKBEAKF-SFHVURJKSA-N 396.487 3.686 0 40 GHAB O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CC1 12365831 WLCJOHSPEKBAIN-MAUKXSAKSA-N 391.487 3.901 0 40 GHAB CC(=O)Nc1cccc(-n2cnnc2SCC(=O)c2cc(C)ccc2C)c1 12537628 UOAHUJHOHLTIHT-UHFFFAOYSA-N 380.473 3.818 0 40 GHAB COC(=O)C1=C(C)N(c2ccccc2OC)C(=S)N[C@@H]1c1ccc(F)cc1 12554391 CNIWCSZDGAEBEK-GOSISDBHSA-N 386.448 3.717 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)CCc1ncc(-c2ccccc2)o1 12782766 CFDCFAIMATULRK-UHFFFAOYSA-N 377.444 3.646 0 40 GHAB COc1cccc(N2CCn3c(nc4cc(NC(=O)c5cccnc5)ccc43)C2)c1 13683718 PNPMKSUPBGXILK-UHFFFAOYSA-N 399.454 3.712 0 40 GHAB CC(C)CN1CCO[C@H](CNC(=O)c2cc3c(s2)-c2ccccc2CC3)C1 14189866 PWAITEITMKBBOF-GOSISDBHSA-N 384.545 3.600 0 40 GHAB COc1ccc(CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C2CC2)cc1 15034891 LOGMLOSWPVTIQP-UHFFFAOYSA-N 393.892 3.557 0 40 GHAB CCc1[nH]c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c(C)c1C(=O)OC 15765506 LBSMDXFBWALQSG-UHFFFAOYSA-N 382.382 3.663 0 40 GHAB CCOc1ccc(NC(=S)N2CCC(NC(=O)c3ccccc3)CC2)cc1 15936056 PJSNNIILZJMIJY-UHFFFAOYSA-N 383.517 3.677 0 40 GHAB O=S(=O)(Cc1ccccc1)N1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21 19372739 JJYCZORJOYPBPD-YPAWHYETSA-N 384.545 3.517 0 40 GHAB C[C@@H]1CCCCN1CCCNC(=O)c1cc(C2CCOCC2)c2cnccc2n1 19496371 CTQBWMJZGHCJPP-QGZVFWFLSA-N 396.535 3.518 0 40 GHAB CCCn1c(C)cc2cc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)ccc21 19525980 DHNIIAWIVPKSDJ-UHFFFAOYSA-N 396.491 3.553 0 40 GHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(CCc2ccccc2)C1 19591660 QGZXVYGHBGNDLU-AREMUKBSSA-N 399.538 3.972 0 40 GHAB CCC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)NC)CC1 19700435 PARVUFXVXWALFZ-UHFFFAOYSA-N 382.479 3.800 0 40 GHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1CCN2Cc1c(C)nn(-c2ccc(F)cc2)c1C 19712057 VGSNBNVYWCVTCZ-PKTZIBPZSA-N 398.526 3.994 0 40 GHAB Cc1nc(-c2ccc(OCC(=O)N3CCCC[C@@H]4[C@H]3CCN4C)cc2)cs1 19712347 JZAFCJOJCGTMCP-WOJBJXKFSA-N 385.533 3.583 0 40 GHAB O=C1CCC[C@H]2[C@@H](C[C@@H](c3ccccc3F)N2C(=O)CCc2ccc(F)cc2)N1 19713466 UTMHUPZFWUPQHZ-HKBOAZHASA-N 398.453 3.908 0 40 GHAB CC(C)(C)c1csc(CCNC(=O)Cc2nc3cc(Cl)ccc3[nH]2)n1 19718980 WIZULVXJGZOVJA-UHFFFAOYSA-N 376.913 3.872 0 40 GHAB CC(C)(C)c1ccc(C(=O)N[C@@H](N2CCOCC2)C(Cl)(Cl)Cl)cc1 19800435 CGGLZNCFRUEMFP-HNNXBMFYSA-N 393.742 3.742 0 40 GHAB O=C(O)Cc1ccc(NC(=S)NC(=O)C2(c3ccccc3)CCCC2)cc1 20153557 FANNPLMGZOJERD-UHFFFAOYSA-N 382.485 3.639 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCc1ccc(OC)c(OC)c1)CC3 20763558 JBUBDKXNMIBXLX-UHFFFAOYSA-N 394.471 3.711 0 40 GHAB biogenic COc1cc(CCC(=O)Nc2nc(CN3CCCCC3)cs2)cc(OC)c1 22290279 VKEYPPPNRHTDBX-UHFFFAOYSA-N 389.521 3.718 0 40 GHAB Cc1cc(C)c(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)c(C)c1 23127544 UCEBZEUXDCXVBU-UHFFFAOYSA-N 399.560 3.640 0 40 GHAB Cc1ccc2c(CC(=O)Nc3nc(CN4CCOCC4)cs3)coc2c1C 23872919 WFIZTPLXKXXZTJ-UHFFFAOYSA-N 385.489 3.520 0 40 GHAB CCn1c(SC[C@@H](O)COCc2cccc(OC)c2)nnc1-c1ccccc1 24095980 MUUHYLPMMZSITM-SFHVURJKSA-N 399.516 3.643 0 40 GHAB CC1(C)Cc2cccc(OCCNC(=O)c3cc(Cl)c4c(c3)OCO4)c2O1 24449847 WSMSZXADNIDVOB-UHFFFAOYSA-N 389.835 3.591 0 40 GHAB CSCc1ccc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)cc1 24706517 OBKHXDZWBASMMT-AWEZNQCLSA-N 395.488 3.593 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 25254797 SVPLKFWYXJRBOV-GJZGRUSLSA-N 387.549 3.736 0 40 GHAB CNC(=O)c1ccc(CN(C(=O)c2ccc(Br)cc2)C2CC2)cc1 26117633 MNFDXAWODVOMRC-UHFFFAOYSA-N 387.277 3.614 0 40 GHAB CCCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 26945381 HLMFBRQJCITWIO-UHFFFAOYSA-N 395.459 3.534 0 40 GHAB CCOc1ccc(-c2nsc(NC(=O)COc3ccccc3OC)n2)cc1 27992311 PVXWVXSGIHXFPX-UHFFFAOYSA-N 385.445 3.630 0 40 GHAB O=C(NC1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1)c1ccc(F)cc1 29092901 RUMFTOMPPSIZCS-UHFFFAOYSA-N 393.462 3.661 0 40 GHAB O=C(c1n[nH]c(=O)c2ccccc12)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 30301522 YUQCFFGTGQDQDA-UHFFFAOYSA-N 387.361 3.747 0 40 GHAB CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(C)cc1 30755147 SSPSUKRFIXAVIV-QGZVFWFLSA-N 380.897 3.901 0 40 GHAB CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccccc1 30758462 COGQLTFGDCVZKG-PXNSSMCTSA-N 388.533 3.725 0 40 GHAB O=S(=O)(NCc1ccccc1CN1CCCC1)c1ccc2ccccc2c1 31075258 CXKIWBJLONMPCR-UHFFFAOYSA-N 380.513 3.914 0 40 GHAB Cc1cc(C)c(C)c(C(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c1C 31745296 DYLWIWIEONNQBO-UHFFFAOYSA-N 392.546 3.541 0 40 GHAB CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)s1 31816751 XXQFTGNBRMCNGT-JTQLQIEISA-N 398.410 3.672 0 40 GHAB CCc1ccc([C@H](CNS(=O)(=O)C2=Cc3ccccc3CC2)N(C)C)cc1 32679690 NOPWNIDFNFBRMX-QFIPXVFZSA-N 384.545 3.758 0 40 GHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NCc1ccncc1 32928326 SWTVMUAOAHVDBS-UHFFFAOYSA-N 388.393 3.762 0 40 GHAB O=C(O)COc1ccccc1/C=C1/CCc2c1nc1ccccc1c2C(=O)O 33888675 KMYUIROGSMBLNN-KAMYIIQDSA-N 375.380 3.883 0 40 GHAB Cn1nc(NC(=O)c2cccc3ccccc23)c2c1NC(=O)C[C@@H]2c1ccco1 35597904 ZABUTTRVFQPZIB-MRXNPFEDSA-N 386.411 3.893 0 40 GHAB Cc1sc2ncnc(N3CCC(C(=O)Nc4cccc(O)c4)CC3)c2c1C 36358043 OUVKGLFECSICQY-UHFFFAOYSA-N 382.489 3.869 0 40 GHAB COc1ccc(C)cc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1F 40484506 IVMHUALZAFGVNG-LJQANCHMSA-N 393.422 3.662 0 40 GHAB O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 47990714 WZXMOEPQCVBLIV-GFCCVEGCSA-N 391.928 3.711 0 40 GHAB CCOc1ccccc1CNC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1C 51317783 DPNOOTODNNHZOQ-UHFFFAOYSA-N 384.867 3.866 0 40 GHAB O=C(CC[C@@H]1CCCO1)N1CCc2[nH]c3c(Br)cccc3c2C1 55731418 JAGXNELWQAUSRB-LBPRGKRZSA-N 377.282 3.774 0 40 GHAB Brc1csc(-c2noc(CN3CCO[C@H]4CCCC[C@@H]43)n2)c1 56494639 ODRWKFSJIPFQOL-RYUDHWBXSA-N 384.299 3.704 0 40 GHAB Cc1sc(=O)n(CC(=O)Nc2ccnn2Cc2cccc3ccccc23)c1C 57345257 NJUJCHGMLUESGQ-UHFFFAOYSA-N 392.484 3.563 0 40 GHAB Cc1cc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)no1 57487334 MHDQXKGCPQVQOP-UHFFFAOYSA-N 383.795 3.794 0 40 GHAB CCCCOc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 57711600 DEVIDSVXCXLEGO-UHFFFAOYSA-N 385.483 3.765 0 40 GHAB CCCN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2ccccc2)C1 58209369 MLYXZDQYTGPOSY-HXUWFJFHSA-N 380.488 3.932 0 40 GHAB FC(F)Oc1ccc(Br)cc1CN1CCCN2CCC[C@@H]2C1 65564130 HBWHPBCEZBMLHY-CQSZACIVSA-N 375.257 3.721 0 40 GHAB Cc1noc(C)c1Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 67258358 WQBZNFYIHDSOLT-UHFFFAOYSA-N 387.848 3.520 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 71925894 NOLMXTQOKLFZRU-GHTZIAJQSA-N 384.520 3.930 0 40 GHAB NC(=O)c1ccc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CCCCC2)cc1 72275096 QQZVVKSGGCATBT-UHFFFAOYSA-N 392.908 3.577 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3cc(C)[nH]c3C)C2)n1 72334731 PDIXPPBFPGYMLU-GOSISDBHSA-N 375.476 3.812 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@H]2CCCCN2C(=O)c2cc[nH]n2)n1 72384017 BQCPVYJDCZWQTI-MRXNPFEDSA-N 381.411 3.807 0 40 GHAB COc1ccc(-c2nnsc2C(=O)Nc2nc(-c3cccnc3)cs2)cc1 72403782 XYPJYGBOWDMPMR-UHFFFAOYSA-N 395.469 3.985 0 40 GHAB CN(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1-c1ccccc1 83869806 ZNOVLISSMGOREQ-HNNXBMFYSA-N 376.378 3.727 0 40 GHAB C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1 96004495 YVVNVNVTZGVOGD-JTDSTZFVSA-N 385.483 3.880 0 40 GHAB COCCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1-c1ncccn1 96062685 WLZVVUITJVMVGS-UHFFFAOYSA-N 391.475 3.722 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c3ccccc23)C1=O 96447504 BDVUIOWDQGUJHR-OOIIIRTPSA-N 385.441 3.836 0 40 GHAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCCCCCC2)Nc2ccccc21 100118092 POMZJZODTPGLOA-QNTYUMOHSA-N 381.520 3.767 0 40 GHAB Cn1/c(=N\C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)sc2ccccc21 104992108 YMYADIYHXIHTTI-XTQSDGFTSA-N 394.500 3.611 0 40 GHAB CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1ccccc1F)S(C)(=O)=O 113967052 NBQDPMLYMKWPEA-QGZVFWFLSA-N 378.469 3.626 0 40 GHAB O=C1O[C@@]2(CCCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)c2ccccc21 207986676 LZCZMQBBLAMGTN-JOCHJYFZSA-N 391.402 3.518 0 40 GHAB COc1cc(CNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc(OC)c1OC 219862773 DEEYOBHOHWNYBZ-UHFFFAOYSA-N 398.503 3.554 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 222486234 WNJNLFIFIJPNCC-SFHVURJKSA-N 384.545 3.700 0 40 GHAB COC(=O)c1cc(S(=O)(=O)NCCSc2ccc(Cl)cc2)ccc1C 222619498 NZJZYBKESQPNHC-UHFFFAOYSA-N 399.921 3.506 0 40 GHAB Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 222671848 YBSOJXVLWHUXAW-GOSISDBHSA-N 382.504 3.706 0 40 GHAB COc1cccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 224014790 NPBLKPWILKWSAA-GOSISDBHSA-N 394.515 3.714 0 40 GHAB Cc1ccc(CN(C(=O)COc2cc(C)ccc2C)[C@H](C)C(=O)NC(C)C)cc1 225529847 PXHMMPFLZJDEPF-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB C[C@H](NC(=O)Cn1ccc(=O)c2cc(Br)ccc21)c1ccccc1 225726701 YSTHZIDOMHHHHZ-ZDUSSCGKSA-N 385.261 3.641 0 40 GHAB COc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1ccc(OC)c(C)c1C 225794458 NQWOVDMJCHJZAH-SFHVURJKSA-N 375.490 3.677 0 40 GHAB Cc1cnn(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)c1 257253668 JZUJOTZOFCLJLU-QGZVFWFLSA-N 398.894 3.830 0 40 GHAB C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(C(=O)c2cccc(O)n2)C1 257288758 PVMHTDBLMIEMNO-QFIPXVFZSA-N 395.434 3.699 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 408999181 POYZMEDRUAFKCN-KRWDZBQOSA-N 386.835 3.915 0 40 GHAB COc1ccc(-c2nsc(NC(=O)N[C@@H]3Cc4cccc(OC)c4C3)n2)cc1 520357473 PZIZLNKJRJXGMR-CQSZACIVSA-N 396.472 3.511 0 40 GHAB C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@H](n2ncc3ccccc32)C1 542825035 NTBXPQBHZDJEPF-QAPCUYQASA-N 382.895 3.641 0 40 GHAB Cn1ncc2c1C[C@@H](C(=O)Nc1cccc(Cc3nc4ccccc4[nH]3)c1)CC2 563016246 FZIAQTCXBGGRSX-INIZCTEOSA-N 385.471 3.631 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1nc(C2CC2)ccc1=O 575619227 IVLSMAKOAZDPCQ-SECBINFHSA-N 385.773 3.993 0 40 GHAB Cc1cc(C2(C(=O)N[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)CCOCC2)on1 625039552 GHDNZIRYZMALQD-ZBFHGGJFSA-N 394.393 3.722 0 40 GHAB NC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)CC[C@@H]1C(F)(F)F 627048241 VWXFCMSPJUOVBJ-MLHJIOFPSA-N 383.458 3.739 0 40 GHAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 663733586 FHQRSTPMLDDYOM-BHIFYINESA-N 397.469 3.567 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1565522328 FZXXNXVAKYNMJX-UHFFFAOYSA-N 385.895 3.940 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 1888914766 YHFNIFOCMOBZQB-KBPBESRZSA-N 385.393 3.616 0 40 GHAB CCN(CC)C(=O)c1sc(NC(=O)Cc2cccs2)c(C(=O)OC)c1C 871274 IPFDNXBONSCNEX-UHFFFAOYSA-N 394.518 3.568 0 40 GHAB CCNC(=S)N(Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O 879308 HZAWVDROTZCBMO-UHFFFAOYSA-N 395.528 3.823 0 40 GHAB CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)C2CC2)cc1 1378514 YLWDWZKMWOYYNF-IBGZPJMESA-N 398.532 3.505 0 40 GHAB COc1cc(C(=O)NOCc2cccc(C(F)(F)F)c2)cc(OC)c1OC 1754754 HFYBDAODRLPVKW-UHFFFAOYSA-N 385.338 3.593 0 40 GHAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2cc(C)cc(C)c2)C(C)C)c1 2624495 DXJQZGMBYLJRDI-FQEVSTJZSA-N 384.476 3.714 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2Br)cc1 2940407 DLRCATZRDLOBCM-UHFFFAOYSA-N 382.279 3.560 0 40 GHAB COc1ccc(OC)c(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)c1 3229670 FREQNFSEYLEFOI-BJMVGYQFSA-N 375.808 3.552 0 40 GHAB Cc1ccc(C)c(OCCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1 3257218 DDEFQKSWBUKEHT-UHFFFAOYSA-N 397.258 3.956 0 40 GHAB O=C(OCc1ccc(COC(=O)c2ccccc2O)cc1)c1ccccc1O 3320827 OZZMUPZCPSBCNA-UHFFFAOYSA-N 378.380 3.812 0 40 GHAB CCOC(=O)c1c(NC(=O)CSc2nncs2)sc2c1CC[C@H](C)C2 3389607 NFIHSCHRPSESTA-VIFPVBQESA-N 397.547 3.632 0 40 GHAB COc1cccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)c1 3656280 ZQPCWMAVMKRCON-UHFFFAOYSA-N 379.445 3.731 0 40 GHAB COc1ccc(NC(=S)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)cc1 4033726 DTIYWPRTNVQUAD-IBGZPJMESA-N 382.464 3.902 0 40 GHAB CCCCN(C(=O)Cc1ccccc1OC)c1nnc(-c2ccncc2)s1 4881380 UZLXTXLSYOWFFR-UHFFFAOYSA-N 382.489 3.985 0 40 GHAB CCOC(=O)[C@@H](CC(=O)Nc1nc(C(C)=O)c(C)s1)[C@H](C)c1ccccc1 5015714 NAPVPXHJOKEVDL-WBMJQRKESA-N 388.489 3.966 0 40 GHAB O=S(=O)(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cccc(F)c1 5144799 BRHHTJZUUUKCFI-UHFFFAOYSA-N 398.463 3.684 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nc(N)cc(N)n2)c2ccccc2)c1 5229201 SLYNOTZWNXIJST-GOSISDBHSA-N 379.489 3.730 0 40 GHAB CCC1=NN(C(=O)NS(=O)(=O)c2ccccc2Cl)[C@H](c2ccccc2)C1 5296987 AWRVOAVLSUWBIY-INIZCTEOSA-N 391.880 3.951 0 40 GHAB O=C1CCCN1c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 5329206 PFICPLYBBWIECM-UHFFFAOYSA-N 385.272 3.921 0 40 GHAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)c1 6242950 YNROXYMEEPKQGN-CYBMUJFWSA-N 385.489 3.949 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1 6630809 XYPAVWHIPLIFHU-UHFFFAOYSA-N 382.201 3.646 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 6944799 AWXUSIFYOFYJEA-GOSISDBHSA-N 388.533 3.804 0 40 GHAB CCCCn1nnnc1NCc1cccc(OC)c1OCc1ccc(F)cc1 7262208 NETOULUAMLKXSL-UHFFFAOYSA-N 385.443 3.812 0 40 GHAB O=C(Cn1c(=O)oc2ccccc21)N[C@H](c1ccc(F)cc1)c1cccs1 7291385 AUNXCGAPVXWDIY-LJQANCHMSA-N 382.416 3.701 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(-c2nccs2)cc1 7986504 ICKOWZHFPWGGIL-UHFFFAOYSA-N 390.461 3.752 0 40 GHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cc2ccccc2o1 8062451 JSGXRVQGRDTLQE-HNNXBMFYSA-N 398.484 3.708 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1oc2ccc(F)cc2c1C 8210605 JBRZGURMYHWGRO-UHFFFAOYSA-N 387.363 3.936 0 40 GHAB Cc1ccc(NC(=O)Cc2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1 8295907 VAPSGTKJQIEYHC-UHFFFAOYSA-N 377.469 3.819 0 40 GHAB CCc1ccc(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)cc1 8412436 GDMORCFKWVGGLW-UHFFFAOYSA-N 394.349 3.545 0 40 GHAB CCCCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 8503453 IBIARGGHIFOWNN-HJPURHCSSA-N 395.503 3.692 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)[nH]n2)c(O)c1 8845690 ZALAQBJBEKSMLP-UHFFFAOYSA-N 396.878 3.707 0 40 GHAB CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OC 9063880 FBWHEMRUIABIQY-UHFFFAOYSA-N 396.896 3.598 0 40 GHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1 9198745 GVDZCZZUUXRGJW-UHFFFAOYSA-N 397.456 3.953 0 40 GHAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1ccc(OC)cc1 9305254 DEILQDZUCKRQLR-UHFFFAOYSA-N 398.415 3.623 0 40 GHAB CC(C)n1ncc2cc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)cnc21 9907136 NJISQLKKTTVHQG-UHFFFAOYSA-N 399.882 3.755 0 40 GHAB CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)CC1=O 10461849 GZAAZABGPQATMT-QGZVFWFLSA-N 379.460 3.526 0 40 GHAB CCOC(=O)c1ccsc1NC(=O)CN(Cc1ccc(OC)cc1)C1CC1 11438898 DCLSDYSTMOMFGB-UHFFFAOYSA-N 388.489 3.537 0 40 GHAB C[C@H](Cc1ccc2c(c1)OCO2)CN1CCC[C@@H](n2c(=O)oc3ccccc32)C1 12119213 XAGSJYHYDVUZIM-SJLPKXTDSA-N 394.471 3.839 0 40 GHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1nccc2ccccc12 12144607 FMMRPMLZEQHBJC-UHFFFAOYSA-N 377.835 3.646 0 40 GHAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3N3CCCC3)CC2=O)cc1 12528606 CLGGQWFFJUDXKI-IBGZPJMESA-N 377.488 3.582 0 40 GHAB O=C(COc1ccc(Br)cc1Cl)Nn1cnc2ccccc21 12547369 IUSWQTXUFXGSLD-UHFFFAOYSA-N 380.629 3.601 0 40 GHAB COC(=O)C1=C(C)N(c2ccccc2OC)C(=S)N[C@H]1c1ccccc1C 12554397 SPDMFQZMWVEYSV-IBGZPJMESA-N 382.485 3.886 0 40 GHAB NC(=O)[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc23)c2ccccc2O1 12633764 MKYKIZNIGIXQIK-FQEVSTJZSA-N 382.423 3.681 0 40 GHAB CC(=O)NCCCc1ccc(C(=O)COc2ccc(Br)cc2)cc1 12762653 CWAUZWOCDMCBPO-UHFFFAOYSA-N 390.277 3.780 0 40 GHAB CC(C)(C)NC(=O)NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12900796 OXLAYUJFLZGWLN-UHFFFAOYSA-N 384.461 3.606 0 40 GHAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2Cl)C1 12985420 FXZVAQBMRSBIJS-SNVBAGLBSA-N 389.677 3.910 0 40 GHAB COC(=O)c1cc(C2CC2)nc2c3c(C4CC4)cc(C(F)(F)F)nc3nn12 13645673 PBAGGIJFZXBQKQ-UHFFFAOYSA-N 376.338 3.838 0 40 GHAB Cc1ccc2c(COC(=O)[C@@H](C)n3c(=O)oc4ccccc43)cc(=O)oc2c1C 14164630 HBTZNTGHNWCAQN-CQSZACIVSA-N 393.395 3.622 0 40 GHAB Cc1cccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)c1 15398171 MDNMEAXKXSVTNP-UHFFFAOYSA-N 398.459 3.968 0 40 GHAB Cc1cc(OCC(=O)NC[C@H](c2ccco2)N2CCCC2)cc(C)c1Cl 15831648 DSABAEXWOPZUJZ-QGZVFWFLSA-N 376.884 3.882 0 40 GHAB Cc1ccc(CN2C[C@H](C(=O)NCCCSc3ccccc3)CC2=O)cc1 15940858 YCJUPOKCVSMOPD-LJQANCHMSA-N 382.529 3.642 0 40 GHAB CSc1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccc(C(C)=O)cc2)CC1 16684853 UVLDPWYMNRKBTF-MRXNPFEDSA-N 397.544 3.760 0 40 GHAB COc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C 19577378 VAKKKQCOXVTBPN-OAQYLSRUSA-N 380.536 3.817 0 40 GHAB CNc1cc(C(=O)N2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)ccn1 19692488 MQJVHCCFNKVQIK-HXUWFJFHSA-N 392.434 3.538 0 40 GHAB CCc1ccc2[nH]c(C)c(CN3CCN(Cc4ccccc4)CC3)c(=O)c2c1 19792182 HSUQHEFCSPSHPL-UHFFFAOYSA-N 375.516 3.717 0 40 GHAB O=C(Cn1nnc2ccccc21)Nc1nc(-c2ccc(Cl)s2)cs1 24092562 ZGGQWFKQRDOXST-UHFFFAOYSA-N 375.866 3.908 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)cc1 24581220 OXGUHCJXSFTOMR-UHFFFAOYSA-N 397.456 3.533 0 40 GHAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1cccc(Cl)c1 24865657 OYIDETMMTDEYSE-OAQYLSRUSA-N 397.862 3.666 0 40 GHAB COc1ccc2cc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c(C)nc2c1 25252591 FKCUFKWLZKPANU-IBGZPJMESA-N 375.472 3.556 0 40 GHAB Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1 27927499 IVMMAHAKCDLADA-UHFFFAOYSA-N 396.322 3.693 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1 29765822 WRMHJTOVHCECJX-OCCSQVGLSA-N 375.852 3.786 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)Cc1csc(-c3cccs3)n1)OCO2 32740718 GEJWLMXFSFAJQF-UHFFFAOYSA-N 386.454 3.984 0 40 GHAB Cc1cc2n(CC(=O)Nc3ccc(Cl)cc3C)c(=O)c3ccccc3n2n1 32836393 DIMXFVNVNJWBHR-UHFFFAOYSA-N 380.835 3.558 0 40 GHAB CCOC(=O)COc1cccc(NC(=O)c2cc(Br)ccc2F)c1 33188877 LAKPONMTWBTISQ-UHFFFAOYSA-N 396.212 3.782 0 40 GHAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@H](C)C2)cc1 33730763 WWATUSHQVSRAIO-GDZNZVCISA-N 386.521 3.881 0 40 GHAB Cc1ccc(NC(=O)CSc2ncnc3nc(N(C)C)sc23)cc1Cl 35532662 YJADSZGASZEKGH-UHFFFAOYSA-N 393.925 3.845 0 40 GHAB O=S(=O)(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 36396625 AKFCZHJCLQMUGF-INIZCTEOSA-N 385.316 3.546 0 40 GHAB COc1cccc(C(=O)Nc2ccc(I)cc2C)c1OC 36684586 IPCJFQLVGGROOE-UHFFFAOYSA-N 397.212 3.869 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)CCN3C(=O)c4ccccc4C3=O)ccc2o1 40081631 JIRDQLGNDFEUHC-UHFFFAOYSA-N 391.427 3.750 0 40 GHAB COc1ccc(-n2nnc(C(=O)N[C@H](C)c3cccc(OC(C)C)c3)c2C)cc1 40112805 AFNCTHJVOGIPOW-OAHLLOKOSA-N 394.475 3.863 0 40 GHAB CCCC[C@H](CC)CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 42792320 VFNWAEWONLPEAC-SFHVURJKSA-N 394.581 3.561 0 40 GHAB CCOc1ccc(C(=O)COC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1 44214640 WAELGXCOILQBAV-HXUWFJFHSA-N 395.455 3.506 0 40 GHAB Cc1ccc(C)c(-c2nn(CN3C[C@@H](C)OC[C@@H]3C)c(=O)c3ccccc23)c1 45723521 AKARJUDKGYSTBE-ZWKOTPCHSA-N 377.488 3.747 0 40 GHAB Cc1nc(S)sc1CC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 46397911 SCFHCKKEMHEPEB-MRXNPFEDSA-N 398.557 3.721 0 40 GHAB CCOc1ccc([C@H]2CCCN2C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 48287198 CKKIHRPBABEPOQ-HXUWFJFHSA-N 396.487 3.894 0 40 GHAB CCOc1ccc(NC(=O)c2cn(Cc3ccc(NC(C)=O)cc3)cn2)cc1 49421961 KKJWYKPJESQQLO-UHFFFAOYSA-N 378.432 3.541 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c(OC[C@H]2CCCO2)c1 57363399 UVOSSXCOAYLMGX-NVXWUHKLSA-N 380.444 3.617 0 40 GHAB CCOC(=O)[C@@H](CNC(=O)c1c(C)oc2ccc(OC)cc12)Cc1ccccc1 58022982 DJTSZUJURCQMJF-QGZVFWFLSA-N 395.455 3.902 0 40 GHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 58295641 HRGZLTFXWDWMEM-UHFFFAOYSA-N 391.449 3.573 0 40 GHAB CCN1CCN([C@@H](C)CNc2ncnc3scc(-c4ccccc4)c23)CC1 59389312 AWGBJEKRRVAFJS-INIZCTEOSA-N 381.549 3.796 0 40 GHAB O=C(CCc1nc2ccccc2[nH]1)NC[C@@H]1CCCN(Cc2ccccc2)C1 65554507 VXNLMYKGOFPQNF-IBGZPJMESA-N 376.504 3.524 0 40 GHAB Cn1c(=O)n(C)c2cc(/C=C3\SC(=O)N=C3Nc3ccc(F)cc3)ccc21 71284238 TXKFLHFKOSKVFT-YBEGLDIGSA-N 382.420 3.734 0 40 GHAB CN(C(=O)c1ccccc1NC(=O)Cc1ccccc1C(=O)O)c1ccccc1 71287023 MHTPWBYATZOPST-UHFFFAOYSA-N 388.423 3.843 0 40 GHAB COc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc(OC)c1C 71795511 PGZDFIAJUGOPKW-UHFFFAOYSA-N 388.489 3.694 0 40 GHAB CCN(C(=O)Cn1c(-c2cccs2)noc1=O)c1cccc2ccccc12 72033671 JLSQAYMDKNHUNO-UHFFFAOYSA-N 379.441 3.771 0 40 GHAB COc1ccc2c(CN3CCC[C@H]([C@H](NC(C)=O)c4nccs4)C3)c[nH]c2c1 72337757 HCLQHOFIPIWWFT-YWZLYKJASA-N 398.532 3.722 0 40 GHAB Cc1ccc(Oc2cccc([C@H]3CCCN3C(=O)c3ccc(=O)n(C)c3)n2)cc1 72384325 AINWWBSAOVMAID-HXUWFJFHSA-N 389.455 3.858 0 40 GHAB CC(=O)c1c(C)nc2nc(SCc3ccc(Br)cc3)nn2c1C 95115677 SXYFXHFTQFTDOK-UHFFFAOYSA-N 391.294 3.999 0 40 GHAB Cc1ccc(N2C(=O)CC[C@H](C(=O)NC3CCOCC3)[C@@H]2c2cccs2)cc1 95364832 AGMORENQKQMWHV-GHTZIAJQSA-N 398.528 3.836 0 40 GHAB Cc1ccc2cc(C(=O)NC[C@@H]3CC(=O)N(Cc4ccccc4)C3)c(C)nc2c1 95444067 DKVIAZRTIMVCHE-IBGZPJMESA-N 387.483 3.630 0 40 GHAB CC(C)C(=O)Nc1nc(CC(=O)Nc2cccc3c2CN(C(C)C)C3)cs1 95464816 PJPKKWZGKRZPRC-UHFFFAOYSA-N 386.521 3.643 0 40 GHAB O=C(C[C@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21)NC1CC1 96052994 FAHFDZHSHHKZME-IBGZPJMESA-N 375.516 3.771 0 40 GHAB CC(C)CCN1[C@@]2(CCN(Cc3ccsc3)C2)c2ccccc2S1(=O)=O 96143281 PYPFTGKGYVVPKP-HXUWFJFHSA-N 390.574 3.900 0 40 GHAB CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cc(F)cc(F)c21 100909285 YHQALDSFIVEYPU-UZYVYHOESA-N 378.400 3.759 0 40 GHAB CCc1cc(Br)ccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1[C@H]1C[C@H]21 101291641 KAIBOPVJDVZKPL-VZSXATARSA-N 390.277 3.719 0 40 GHAB Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc2c1N(C)S(=O)(=O)c1ccccc1-2 106427185 XLVPVGSJJFGSIS-DOXZYTNZSA-N 396.512 3.719 0 40 GHAB CC(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCCC2=O)cc1 110509159 NSSKGKCRUXNTMV-UHFFFAOYSA-N 380.488 3.741 0 40 GHAB C[C@H](NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCC1)c1ccccc1 217476375 YGIVJKTXCLYIJJ-AWEZNQCLSA-N 388.489 3.779 0 40 GHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 219293685 KXIPOPFDNYALBM-LLVKDONJSA-N 377.853 3.877 0 40 GHAB C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 223131479 QXWOIXBGORRHPD-KRWDZBQOSA-N 384.495 3.743 0 40 GHAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 223289302 CXLVGBVYFSPIKF-QPJJXVBHSA-N 385.272 3.553 0 40 GHAB COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1OC 225046128 LHPJMUGXTOBOGZ-UHFFFAOYSA-N 382.460 3.972 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(OC(C)C)cc3)ccc21 225050217 WWUNRXPDXRUDHP-UHFFFAOYSA-N 388.489 3.574 0 40 GHAB CCOC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccs1 225137731 LTLGSYWHRWONCD-UHFFFAOYSA-N 393.408 3.525 0 40 GHAB COc1ccc(OC)c(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)c1 225808773 PWVDYKJSNZJDAM-UHFFFAOYSA-N 387.823 3.979 0 40 GHAB CN(c1ccc(CC(=O)Nc2ccc(Cl)cc2Cl)cc1)S(C)(=O)=O 225977194 NQDXJXAVSQTDMJ-UHFFFAOYSA-N 387.288 3.570 0 40 GHAB COc1cc(NC(=O)c2ccc(Br)c(N)c2)c(OC)cc1Cl 226272440 KZPCRWRRWXWFGL-UHFFFAOYSA-N 385.645 3.954 0 40 GHAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)[C@@H](C)c3ccccc3)n(C)n2)CC1 257343130 ZRPGULSCSIITAH-BJLQDIEVSA-N 382.552 3.675 0 40 GHAB CN(CCCNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 260507390 KXEPBDRQHFOZAH-FQEVSTJZSA-N 383.511 3.680 0 40 GHAB CCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC[C@H]2C)n1 260732960 DHKMLOASUUAIDL-MRXNPFEDSA-N 390.601 3.932 0 40 GHAB O=C1c2cccn2[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]2N1Cc1ccccn1 306142310 WVUWSWBQLAEWLW-NHCUHLMSSA-N 392.890 3.618 0 40 GHAB COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4cccs4)C2)OC3)cc1 306144651 ZKZCBJXPOYXTED-OAQYLSRUSA-N 381.501 3.795 0 40 GHAB CC(C)Oc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 408621263 OXKAWDZJEACNHZ-UHFFFAOYSA-N 396.896 3.532 0 40 GHAB CCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 409121805 WOOQPSKTNLFFKW-UHFFFAOYSA-N 394.924 3.760 0 40 GHAB COc1ccccc1NC(=O)C(=O)NCCc1ccc(-c2ccsc2)s1 575414050 MRXGNELMZMVVLL-UHFFFAOYSA-N 386.498 3.783 0 40 GHAB O=C1NC[C@H](C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c2ccccc21 626831039 RFMOOLALGMRLGF-YEWWUXTCSA-N 388.389 3.595 0 40 GHAB C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1[C@@H](C(=O)O)c1cccnc1 629379899 ZEWCUGDDRDLEQI-SRCQZFHVSA-N 375.266 3.848 0 40 GHAB O=C(O)[C@@H]1CN(C(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)C[C@H]1c1ccc(Cl)cc1 630173589 QFAIYYUIGLUENB-CENDIDJXSA-N 381.859 3.553 0 40 GHAB c1ccc(Nc2ccc3c(c2)Cc2cccc(c2)CNCCOCCO3)nc1 643589687 ZHQOOAXRGBNHAL-UHFFFAOYSA-N 375.472 3.915 0 40 GHAB CN(Cc1ccncc1)[C@@H]1CCC[C@H]2CN(C(=O)/C=C/c3cccs3)C[C@H]21 2055746553 ZRJXGUOWVBTNIY-GLHHGDSHSA-N 381.545 3.915 0 40 GHAB CCc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(OC)c(OC)c2)cc1 887278 HZCDPXFEUOKDOQ-IBGZPJMESA-N 393.530 3.703 0 40 GHAB Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl 894357 BZWVVTMZWGHQFC-UHFFFAOYSA-N 388.880 3.778 0 40 GHAB COc1ccc2cc(C)c3nnc(SCC(=O)N4CCC(C)CC4)n3c2c1 928466 UCYKVQHGWSZVRG-UHFFFAOYSA-N 384.505 3.550 0 40 GHAB O=C(C[C@@](O)(c1ccccc1)c1ccc(Cl)cc1)NC(=O)c1ccccc1O 1622751 DDEPSTRGUUWAKZ-JOCHJYFZSA-N 395.842 3.628 0 40 GHAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(OC)cc2)sc2c1CCCC2 1946508 LZLISXSBFPGBQI-LBPRGKRZSA-N 389.473 3.828 0 40 GHAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)c(Cl)c1 79188700 KIKZSKMYILLQKQ-MAUKXSAKSA-N 386.787 3.608 0 40 GHAB biogenic O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1c[nH]c(=S)n1-c1ccccc1 24816343 JOJAQFVLJSRSJH-INIZCTEOSA-N 378.501 3.791 0 40 GHAB COc1ccc(CN2CCCN(C(=O)c3ccc4c(c3)CCCC4)CC2)cc1 25081878 GJQIBFKWRBOLIA-UHFFFAOYSA-N 378.516 3.922 0 40 GHAB CC(=O)Nc1ccc(OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1 4349703 FHOAHFXIMFIHBW-UHFFFAOYSA-N 381.259 3.690 0 40 GHAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 26366760 SMERRIORBKBGDM-UHFFFAOYSA-N 383.454 3.658 0 40 GHAB O=C1[C@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1cccc2ccccc12 101203539 HOXQDOCVUHXVHU-MJGOQNOKSA-N 376.799 3.786 0 40 GHAB O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1cc2c(s1)CCCC2 57476997 BIXCIGAUMDHTSZ-UHFFFAOYSA-N 384.413 3.763 0 40 GHAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2ccc(O)cc2)CC1 57406106 UFLMQMYWGJIKSU-ZDUSSCGKSA-N 394.302 3.848 0 40 GHAB CCCC(=O)NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1 8053510 JSNJBIJJJGXWJI-UHFFFAOYSA-N 381.295 4.000 0 40 GHAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1c(C)cccc1C 8412513 QAIJIINWPBMGJT-UHFFFAOYSA-N 382.460 3.903 0 40 GHAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccccc1Br)c1cccs1 10139910 AZSDDDBHYGNQBJ-IAQYHMDHSA-N 395.322 3.955 0 40 GHAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)o2)cc1OCC 9062282 FWBKWMUUWBUXKR-UHFFFAOYSA-N 383.404 3.795 0 40 GHAB CCN1CCOc2ccc(NC(=O)c3ccc(Br)cc3)cc2C1=O 9828132 LHHFCIIZHYXCIL-UHFFFAOYSA-N 389.249 3.556 0 40 GHAB COc1cc(OC)c(C2=CCN(Cc3nccn3C(F)F)CC2)c(OC)c1 10809181 RXAXALONIRZWHK-UHFFFAOYSA-N 379.407 3.593 0 40 GHAB COc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1OC 2340471 UECIGBXLENHUKK-UHFFFAOYSA-N 379.821 3.673 0 40 GHAB O=c1c2c3c(sc2nc(NCCCO)n1Cc1ccccc1)CCCCC3 2441977 QFXRPSUHUQNXQZ-UHFFFAOYSA-N 383.517 3.570 0 40 GHAB O=C(Cc1noc2ccccc12)N1CCN(C(=O)c2cccc3ccccc23)CC1 29252441 KQENMNOIZGLEDJ-UHFFFAOYSA-N 399.450 3.508 0 40 GHAB Cn1c(=O)c2ccccc2n2c(CNc3ccccc3SC(F)F)nnc12 11715325 XEYJUBHAPBCQPL-UHFFFAOYSA-N 387.415 3.508 0 40 GHAB CCS(=O)(=O)c1nc(-c2ccc(Br)cc2)cc(C(F)F)n1 2554050 ROFHUFLKDWIEQA-UHFFFAOYSA-N 377.210 3.637 0 40 GHAB CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 2661901 NEPGOBLNJDJQIN-OAQYLSRUSA-N 399.878 3.617 0 40 GHAB Cc1noc(C)c1CN1C(=O)[C@H](C)Oc2ccc(NC(=O)c3ccccc3)cc21 12122759 XAPZQRAENAUGTQ-HNNXBMFYSA-N 391.427 3.858 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C(=O)N1Cc1ccccc1 100586137 XPZOBDOJUUSDIU-ZCNNSNEGSA-N 390.464 3.795 0 40 GHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCc4ccccn4)cc3C2=O)c1 12399666 APJQKQRCDHXLQN-UHFFFAOYSA-N 386.407 3.856 0 40 GHAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCN(c2ccccc2F)CC1 47339489 ADDPWGKEMRLWNK-UHFFFAOYSA-N 384.842 3.832 0 40 GHAB CCOC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc(C)c1CC 3244967 PZMJIWCNSXJKLN-UHFFFAOYSA-N 399.472 3.756 0 40 GHAB COc1ccc(NC(=O)[C@H](C)N2CCN(Cc3ccsc3)CC2)cc1Cl 22933240 QPBXCGUHWSSTLP-AWEZNQCLSA-N 393.940 3.555 0 40 GHAB CCOc1cc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccccn2)ccc1OC 100148908 WDQXCDSCTSADTJ-RTBURBONSA-N 382.504 3.609 0 40 GHAB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Cl)cc2)CC1 10010376 HVKOLJISRHTVOA-UHFFFAOYSA-N 392.286 3.914 0 40 GHAB CCc1ccc([C@@H](NC(=O)Cn2nc(C)c3ccccc3c2=O)C(C)C)cc1 12778476 JCIUSPRUUCLRIB-QFIPXVFZSA-N 377.488 3.781 0 40 GHAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Cl)cc1Cl 12763191 VCBHAAIQWWJVFH-UHFFFAOYSA-N 376.217 3.501 0 40 GHAB CCOc1ccc(CN(C)C(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)cc1 12747342 CJIRWRFJFJCWEP-CQSZACIVSA-N 385.435 3.952 0 40 GHAB Cc1ccccc1/N=c1\oc2cc(O)ccc2cc1C(=O)NC[C@H]1CCCO1 12706191 LMWUSDJAJZIFFD-KAMJJXHCSA-N 378.428 3.588 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1OC 20049982 AIVIKHOAPNLWJA-CYBMUJFWSA-N 391.489 3.518 0 40 GHAB COc1ccc2cc([C@@H](C)C(=O)Nc3cccc(S(C)(=O)=O)c3)ccc2c1 12899172 NITLZCIZMAKQSF-CQSZACIVSA-N 383.469 3.994 0 40 GHAB CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)c1cnc2ccccc2n1 12903332 DSDAYYXSOMOHBT-UHFFFAOYSA-N 391.427 3.654 0 40 GHAB CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2nc(CC(=O)O)cs2)cc1 12920772 VIHKBYKUXNUFLJ-CYBMUJFWSA-N 392.546 3.938 0 40 GHAB O=C(NCc1cccc(Cl)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12902403 KWXQWXTWDKDYRO-MDZDMXLPSA-N 382.891 3.908 0 40 GHAB CCc1cccc(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)c1 13346037 HJPNDSAYXVFVDF-UHFFFAOYSA-N 384.251 3.511 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(Cl)cc2)cc1 9237442 UXNWJHZCJDDCES-IAGOWNOFSA-N 399.907 3.946 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1)N1CCCC1 408583925 KQPXDYLYLWZOMF-UHFFFAOYSA-N 379.526 3.706 0 40 GHAB Cc1ccc(CN(c2ccc(C(=O)NC3CCCC3)cc2)S(C)(=O)=O)cc1 409028965 VSOGTMXRQJNFAP-UHFFFAOYSA-N 386.517 3.634 0 40 GHAB O=C(Cc1ccccc1F)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 65534001 IXLYMWFBFAYLFM-MRXNPFEDSA-N 383.398 3.964 0 40 GHAB CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(=O)OC)c1C 4537680 MVAHALNGPNWGMJ-UHFFFAOYSA-N 381.837 3.926 0 40 GHAB COc1ccc(OC)c([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c1 4555307 WPFNSCVYCIURTH-SFHVURJKSA-N 387.505 3.961 0 40 GHAB CN(CCOc1ccc(Cl)cc1)Cn1nc(-c2cccnc2)n(C)c1=S 14202038 KLWNMSSJZCZTEZ-UHFFFAOYSA-N 389.912 3.635 0 40 GHAB CC(=O)Nc1ccc2nc(SCC(=O)NCc3ccc(C)cc3)sc2c1 4602259 JYRKLRDZROUBJN-UHFFFAOYSA-N 385.514 3.972 0 40 GHAB CCOC(=O)C1CCN(Cc2cccc(NC(=O)NCc3ccccc3)c2)CC1 4722441 UVIKUTKBCSUDDE-UHFFFAOYSA-N 395.503 3.783 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1nnn(Cc2ccccc2Cl)c1N 4852469 QGDIYCRUVFRHJR-UHFFFAOYSA-N 376.247 3.776 0 40 GHAB CCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1Cl)S2 6811775 OIRDMVLQYLTCNO-IRXDYDNUSA-N 399.907 3.892 0 40 GHAB FC(F)Oc1ccc(CNCc2ccc(Cn3cncn3)cc2)cc1Cl 67120139 FZWBOVBWSNLPRC-UHFFFAOYSA-N 378.810 3.871 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc(N)s2)c2ccccc2)c1 7534476 NIMDSOWWFKREQH-HNNXBMFYSA-N 384.486 3.795 0 40 GHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)/C=C/c1cnn(Cc2ccccc2)c1 7843732 OOZRKBXFOCQXJK-OUKQBFOZSA-N 397.482 3.789 0 40 GHAB CC(=O)Nc1cc2ccccc2cc1C(=O)OCC(=O)c1ccc2c(c1)OCO2 16413416 VTIROFGMWPNSIL-UHFFFAOYSA-N 391.379 3.567 0 40 GHAB COc1cc2c(cc1NC(=O)Cn1nnc(-c3ccccc3)n1)oc1ccccc12 8036423 XCNGQWHTZPHWQA-UHFFFAOYSA-N 399.410 3.887 0 40 GHAB O=C(Cn1nnc(-c2ccsc2)n1)Nc1ccccc1Cc1ccccc1 8000153 WFTDGGNWEVOWGM-UHFFFAOYSA-N 375.457 3.631 0 40 GHAB Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 8163299 NYGWGMYENZRGSR-QZTJIDSGSA-N 396.487 3.618 0 40 GHAB Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@@](CC(C)C)(c3ccccc3)C2=O)c1 8127959 GNVHMRXEGNCNEF-QHCPKHFHSA-N 393.487 3.735 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)n1 8241778 WWTKJPLRRKGVDI-VXGBXAGGSA-N 394.928 3.730 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(S(C)(=O)=O)c2)cc1 8231407 YPCXHRROYVAMRN-HXUWFJFHSA-N 387.501 3.856 0 40 GHAB Cc1csc([C@@](O)(CC(=O)Nc2ccc3ncccc3c2)C(F)(F)F)n1 70028408 QCOALOXPUPIEKY-INIZCTEOSA-N 381.379 3.778 0 40 GHAB COC(=O)c1cc(C)sc1NC(=S)N[C@@H](C)c1ccc2c(c1)OCO2 17077407 FFHMSDIUSLCKSN-JTQLQIEISA-N 378.475 3.619 0 40 GHAB O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN(c2ccc(O)cc2)CC1 71016831 RECDRPLISQYNBE-LJQANCHMSA-N 398.528 3.626 0 40 GHAB O=C(c1cccc(-c2noc(C3CC3)n2)c1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 95983014 XWHXVQSXWLLEQB-RTBURBONSA-N 393.418 3.701 0 40 GHAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1csc(CCc2ccccc2)n1 95992628 JSOCRRSPRUOJRI-IBGZPJMESA-N 391.496 3.591 0 40 GHAB CCC[C@@H]1SCCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 72288339 WTQCEAQEHUWXFV-HNNXBMFYSA-N 396.559 3.864 0 40 GHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2C)cc1 27754662 HGINCRIHDOXUEZ-GOSISDBHSA-N 385.851 3.924 0 40 GHAB Cc1cc(NC(=O)CSc2nnc(-c3ccoc3C)o2)n(-c2ccccc2)n1 9991394 UNBJIFSBEQQHCO-UHFFFAOYSA-N 395.444 3.863 0 40 GHAB CC(C)[C@@H](NC(=O)C[C@H]1OCCc2ccsc21)c1nc(-c2cccnc2)no1 95349305 IAQWWAIYXYAOSL-NVXWUHKLSA-N 398.488 3.711 0 40 GHAB CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1ccccc1F)S(C)(=O)=O 113967045 BLDJNEPYDJVUMC-INIZCTEOSA-N 378.469 3.626 0 40 GHAB O=C(NCCC(=O)N1CCCc2cc(C(F)(F)F)ccc21)c1ccsc1 24470730 VKQFGMWMQZHLAA-UHFFFAOYSA-N 382.407 3.866 0 40 GHAB CCOc1ccc(CCC(=O)NCc2ccc(OC)c(OC)c2)cc1OCC 20455442 HIPHSGXNLZCYGH-UHFFFAOYSA-N 387.476 3.750 0 40 GHAB CCc1s/c(=N\S(=O)(=O)c2ccccc2)n(C)c1-c1ccc(F)cc1 409203807 ZJRRNEVXIFCRKG-ZZEZOPTASA-N 376.478 3.745 0 40 GHAB O[C@H](CN[C@@H]1CCOC2(CCSCC2)C1)Cc1ccc(C(F)(F)F)cc1 515638090 QELZJORVHYHCPQ-SJORKVTESA-N 389.483 3.643 0 40 GHAB COc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc(OC)c1OC 4330212 PWPLZVNAMZDFHJ-UHFFFAOYSA-N 389.795 3.668 0 40 GHAB biogenic CCc1ccc([C@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218660054 OWVUZDSLPMWCEM-GVDBMIGSSA-N 379.934 3.744 0 40 GHAB O=C(Cc1scnc1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1 1538779605 FWYZCBMPUMDILW-UHFFFAOYSA-N 379.485 3.828 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccccc3)C2)cn1 72363172 ZJFXNJKMIBJFCM-QGZVFWFLSA-N 390.443 3.692 0 40 GHAB Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(CN3CCOCC3)c1)CC(C)(C)O2 219246547 JIZJAQPEAOJWME-NRFANRHFSA-N 394.515 3.859 0 40 GHAB CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 223349061 WMXALRUOZKETKL-VXKWHMMOSA-N 394.515 3.708 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 223061001 RQBIXTFYWHCUBK-FQEVSTJZSA-N 384.545 3.949 0 40 GHAB Cn1c([C@H]2CCOC2)nnc1N(Cc1cccs1)C1Cc2ccccc2C1 571328501 FXZQXLKAHJDTCC-KRWDZBQOSA-N 380.517 3.555 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2cccc(Br)c2)c1 225625011 LMSPIPGRJYUMEF-GFCCVEGCSA-N 378.266 3.886 0 40 GHAB COC(=O)c1cn(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c2ccccc12 222572624 GOWPSDCONOBJIW-ZRDIBKRKSA-N 395.411 3.807 0 40 GHAB COC(=O)c1c(NS(=O)(=O)c2cc(C)ccc2C)sc2c1CCCC2 223715204 PGBYXBQUNFAAFG-UHFFFAOYSA-N 379.503 3.831 0 40 GHAB COC(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1 225811146 GYUAJTNJKKGXLT-UHFFFAOYSA-N 385.807 3.748 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 225555025 HWVJPQASTIZAHI-OAHLLOKOSA-N 390.886 3.964 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 224552309 FUPMPAIPLVPQJU-QFIPXVFZSA-N 396.531 3.953 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 223105251 UWURJBVRSYNMCT-IBGZPJMESA-N 390.886 3.883 0 40 GHAB O=C(Cc1ccccc1Cl)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211849 OAPFOQQCXFVQPF-UHFFFAOYSA-N 386.908 3.683 0 40 GHAB CCN(C(=O)CN1CCCC[C@H]1c1cnn(C)c1)c1nc2ccccc2s1 585081356 LGNRBJTWTACYEI-KRWDZBQOSA-N 383.521 3.610 0 40 GHAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(F)cc1)OCN(CCCCO)C3 585152479 NGCLFCTUXCBLJR-UHFFFAOYSA-N 383.419 3.832 0 40 GHAB O=C(CSc1nc2ccccc2s1)N[C@@H](Cn1nccn1)c1ccccc1 253472640 OBDJKBSYIHIJRJ-INIZCTEOSA-N 395.513 3.538 0 40 GHAB O=C(c1ccnnc1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257324863 WQMZSKYUNWIYHA-INIZCTEOSA-N 382.851 3.729 0 40 GHAB CCn1cc(CN2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)c(C)n1 257324202 WNRBTDNJQLIRSN-HSZRJFAPSA-N 376.504 3.771 0 40 GHAB CO[C@@H]1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@@]12CCCO2 257342948 ZQSPALMKDWGTAN-GGAORHGYSA-N 396.487 3.687 0 40 GHAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(F)cccc4F)OCC[C@@]31C2 257203745 ARMDHHCSRZIERM-XYUKBBDFSA-N 393.474 4.000 0 40 GHAB C[C@]1(Cc2cccc3ccccc23)CCCN1C(=O)c1ccnc2c1CC(=O)N2 620585260 PIKAKALBRYEFBV-XMMPIXPASA-N 385.467 3.967 0 40 GHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCN(C(=O)c2ccccc2)C1 623372867 JWNWDNWPIAEQBI-AWEZNQCLSA-N 378.350 3.686 0 40 GHAB O=C(Nc1cccc(COCCc2ccccc2)c1)N1CC[C@@H](O)C(F)(F)C1 665866196 FNJSYJMVJYWNAW-LJQANCHMSA-N 390.430 3.680 0 40 GHAB CC(C)[C@H](Oc1ccc(Br)cc1)c1noc([C@H]2CCN(C)C2=O)n1 671670764 RRKDTTPJHSUUON-KGLIPLIRSA-N 394.269 3.554 0 40 GHAB COc1cccc(Nc2ccc(NC(=O)N3CCO[C@](C)(C(F)F)C3)nc2)c1 667993929 PPVILJLWNVKMPN-IBGZPJMESA-N 392.406 3.722 0 40 GHAB CC(=O)Nc1ccc(CN2CCC(O)(COc3ccc(C)cc3C)CC2)cc1 585269993 ADUBHIXLZBBRTC-UHFFFAOYSA-N 382.504 3.668 0 40 GHAB O=C(Cc1ccccc1)N1CCC[C@H](c2cncc(-c3ccc(CO)cc3)n2)C1 72359448 WLYZBDSTJKZHJI-NRFANRHFSA-N 387.483 3.585 0 40 GHAB O=C(CN1CCC[C@H]1c1ccccc1)NCc1cc(Br)cs1 52432189 KLEZHKGRAKCUKH-INIZCTEOSA-N 379.323 3.964 0 40 GHAB Cc1nccc(-c2sc(C3CCN(C(=O)Cc4cccnc4)CC3)nc2C)n1 12143957 WECNMJOUMOGARK-UHFFFAOYSA-N 393.516 3.561 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(F)cc2)N1C[C@H]1CCCO1 13126950 BEHLPQAYVRALQI-VFNWGFHPSA-N 393.418 3.646 0 40 GHAB CCc1ccccc1NC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13715190 KZWCCQZIZUBYDW-SFHVURJKSA-N 378.469 3.571 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 15787630 ZXSPIWTUGAZACZ-UHFFFAOYSA-N 390.739 3.998 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)cc1F 19559568 RTBKHNDBAIGNCT-SFHVURJKSA-N 380.423 3.526 0 40 GHAB Cc1ccc([C@@]2(O)CCN(C(=O)c3cc(C(C)C)nc4onc(C)c34)C2)cc1 19714738 ADTZKPFYTOTMCN-JOCHJYFZSA-N 379.460 3.697 0 40 GHAB Cc1nnc(S/C(=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)C(=O)O)[nH]1 6130615 FMGNYKVPJLALKM-NVNXTCNLSA-N 385.401 3.598 0 40 GHAB CC1(C)CC(O)CC(C)(C)N1C[C@H](O)COc1ccc(Cl)cc1Cl 1473404 NYSLINFQAHKANM-AWEZNQCLSA-N 376.324 3.747 0 40 GHAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](C(=O)N[C@H](C)c4ccncc4)[C@H]31)O2 248337213 PNVBLKVSKMUJPI-IQNUMWEFSA-N 376.456 3.627 0 40 GHAB Cc1noc(C)c1CC(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390830815 NQRDLBLQWBTXLT-UHFFFAOYSA-N 384.402 3.521 0 40 GHAB Brc1cnccc1O[C@H]1CCN(c2nc3cnccc3s2)C1 1888876273 CHZBSFKNVACVSW-JTQLQIEISA-N 377.267 3.507 0 40 GHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1 5637555 CMRVXONGZUAYED-SNVBAGLBSA-N 385.176 3.836 0 40 GHAB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCc1ccccc1 4087429 PNWNFOICBYEVJE-UHFFFAOYSA-N 382.489 3.529 0 40 GHAB Cc1cc(C)cc(N(C(=O)CCCc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1 4165594 MXJTYFRQERDPMW-HXUWFJFHSA-N 383.513 3.970 0 40 GHAB Cc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1 4268573 QLEIROHCGDELSU-UHFFFAOYSA-N 393.447 3.970 0 40 GHAB O=S(=O)(NCCc1cn2ccccc2n1)c1ccc(Oc2ccccc2)cc1 4248485 KMUFDLOAVWZNAK-UHFFFAOYSA-N 393.468 3.648 0 40 GHAB COCCNC(=O)CSc1nc(-c2ccc(OC)cc2)[nH]c1-c1ccccc1 4927751 RGAMXVZPMCEHCN-UHFFFAOYSA-N 397.500 3.607 0 40 GHAB Cc1c(Cl)cccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 5154201 FYZQGRQIRFANHX-UHFFFAOYSA-N 390.892 3.675 0 40 GHAB O=c1[nH]c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2ccsc12 16842918 QKDLOKDXIOOGDE-UHFFFAOYSA-N 376.850 3.980 0 40 GHAB COc1ccc(CC(=O)NCCn2nc(C)c(-c3cccs3)c2C)cc1OC 575613194 WZIFQRNOZBALBU-UHFFFAOYSA-N 399.516 3.605 0 40 GHAB O=C(NCc1cccc2ccccc12)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575614336 ZNLGNJFFOCLEOZ-KRWDZBQOSA-N 382.851 3.646 0 40 GHAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 40087148 HXEJIMDGQSVZOG-CYBMUJFWSA-N 396.447 3.666 0 40 GHAB Cc1nc(CSCCC(=O)Nc2cccc(CN3CCOC3=O)c2)cs1 40121481 AMVXPGBBYIANQI-UHFFFAOYSA-N 391.518 3.666 0 40 GHAB Cc1c(C(=O)Nc2ccccc2C(=O)NC2CC2)oc2c1C(=O)CC(C)(C)C2 40114847 RVNQZBIEINUIMG-UHFFFAOYSA-N 380.444 3.888 0 40 GHAB COc1cc(Br)cc2cc(C(=O)N[C@@H]3CCCC[C@H]3C)c(=O)oc12 30769024 GWKULBFMVWFBPE-QMTHXVAHSA-N 394.265 3.873 0 40 GHAB CSCC[C@@H](NC(=O)c1cc(C)nc2ccccc12)c1nnc2ccccn12 20737936 VDYUNLGWNBLWEC-GOSISDBHSA-N 391.500 3.810 0 40 GHAB COc1ccc([C@@H]2CCCCCN2CCN2C(=O)c3ccccc3C2=O)cc1 21673071 HXPQOLOUUMEYFU-NRFANRHFSA-N 378.472 3.909 0 40 GHAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(N2CCOCC2)nc1 32914402 RWFIMLCOWKRLQT-UHFFFAOYSA-N 394.500 3.526 0 40 GHAB CC(=O)Nc1cc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)ccc1F 54098696 FZVWWQKPUWOAMI-ZIAGYGMSSA-N 385.439 3.650 0 40 GHAB COc1cc(-c2nn3c(-c4cccc(F)c4)nnc3s2)cc(OC)c1OC 633119 KRHJFTQOIJUKQX-UHFFFAOYSA-N 386.408 3.685 0 40 GHAB COc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 860595 BAAGRSJPUNMDBE-UHFFFAOYSA-N 396.468 3.529 0 40 GHAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc(OC)c1O 1008716 CXWFUBYDRPXLQZ-CXUHLZMHSA-N 389.404 3.785 0 40 GHAB Cc1nc(N2CCN(C(=O)c3cccs3)CC2)c2c3c(sc2n1)CCCC3 1332472 VPFJJEBHYFVAOH-UHFFFAOYSA-N 398.557 3.902 0 40 GHAB Cc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2c(C)cccc12 1402698 CETKLUPFIKTJNT-UHFFFAOYSA-N 395.528 3.504 0 40 GHAB CCCc1c(C)c2ccc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc2oc1=O 2106183 ZGWAXWIJFPYJNO-CYBMUJFWSA-N 389.448 3.873 0 40 GHAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(c1nncs1)C3=O 2420144 VWMXXFKSRUANLM-INIZCTEOSA-N 393.399 3.842 0 40 GHAB CCCSc1nnc2c(n1)O[C@@H](c1ccncc1)N(C(C)=O)c1ccccc1-2 2470456 ITACOTSJBLRKEB-IBGZPJMESA-N 393.472 3.880 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccc(C)c3)n2C)c1C 2649981 FUBSGLKFOWEPBM-UHFFFAOYSA-N 382.489 3.913 0 40 GHAB Cc1ccc(NC(=O)c2ccn(COc3ccc(Br)cc3)n2)nc1 2788436 AZWXFCLLWHAZNI-UHFFFAOYSA-N 387.237 3.638 0 40 GHAB CCCCn1c(SCc2cccc(F)c2)nc2cc(S(N)(=O)=O)ccc21 3435409 MNFVXMMMLIAUEB-UHFFFAOYSA-N 393.509 3.915 0 40 GHAB O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1Cl 3460000 NOPMMMUEZDMFDC-UHFFFAOYSA-N 382.199 3.560 0 40 GHAB Cc1ccc(NC(=O)NC(=O)CSc2nnc(-c3cccs3)o2)c(C)c1 3473800 BOFPRYJMTLMTNH-UHFFFAOYSA-N 388.474 3.855 0 40 GHAB CSc1ccc(/C=c2/sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1 3651587 FBARRRWCGSEWTO-XNTDXEJSSA-N 385.901 3.741 0 40 GHAB COc1ccc(-c2nnc3sc(-c4cccc(N(C)C)c4)nn23)cc1OC 4414486 XXPOXUCLYMDVFW-UHFFFAOYSA-N 381.461 3.603 0 40 GHAB CCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 4816811 APFIVHUPWKGGEC-PMACEKPBSA-N 392.459 3.773 0 40 GHAB C[C@H]1CCc2sc(C(=O)OCC(=O)NC(=O)Nc3ccccc3F)cc2C1 4885306 YGVGSSLOXAWVAF-NSHDSACASA-N 390.436 3.517 0 40 GHAB O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc2c(c1)CCC2 4988159 VBUVZROKYCVLPW-OAQYLSRUSA-N 380.440 3.773 0 40 GHAB CCOC(=O)c1cccc(Cn2nnc3sc(-c4ccccc4)cc3c2=O)c1 5183094 DOQJFEMWVBEUKU-UHFFFAOYSA-N 391.452 3.745 0 40 GHAB O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccccc1Cl 5259353 CQSVVZDHFYAKCU-UHFFFAOYSA-N 394.862 3.886 0 40 GHAB COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]21 5535007 GWEKWJOSBYDYDP-YALAPJNKSA-N 398.499 3.913 0 40 GHAB CCCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1OC 5977968 GYEKICPCSFGHLM-UHFFFAOYSA-N 379.460 3.651 0 40 GHAB CC(=O)Oc1ccccc1N1C(=O)c2ccc(C(=O)c3ccccc3)cc2C1=O 6293958 IBLHJMYJUUHAEK-UHFFFAOYSA-N 385.375 3.644 0 40 GHAB Cc1csc(N(C(=O)Cn2c(=O)cnc3ccccc32)c2ccccc2)n1 6605518 RYFPOGVKGXWNDJ-UHFFFAOYSA-N 376.441 3.526 0 40 GHAB Cc1coc2cc3oc(=O)c(CC(=O)N=c4[nH]c5ccccc5[nH]4)c(C)c3cc12 6624490 DPWACRQRPPNZON-UHFFFAOYSA-N 387.395 3.635 0 40 GHAB biogenic S=C(NC1CCCCC1)N[C@@H]1CCCC[C@H]1NC(=S)NC1CCCCC1 6691835 ANSKRXUDBPKGQJ-QZTJIDSGSA-N 396.670 3.891 0 40 GHAB CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(F)cc1)S2 6811850 IPGCLRNORRLPGZ-MSOLQXFVSA-N 397.479 3.686 0 40 GHAB Cc1cc(C)c(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1 7073461 ARACKNUPKVFGAO-UHFFFAOYSA-N 380.488 3.868 0 40 GHAB COc1cc(CNC(=O)CN2c3ccccc3CC[C@@H]2C)ccc1OC(F)F 7217844 CANMRWBJXYZJEY-AWEZNQCLSA-N 390.430 3.754 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(CN(Cc2ccccc2F)C2CC2)n1 7251388 CBLHGGAXVUZJJT-UHFFFAOYSA-N 378.455 3.810 0 40 GHAB CCOc1ccc(NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)cc1OC 7274047 NIWXHRAVRJHIMR-QGZVFWFLSA-N 376.478 3.549 0 40 GHAB COC(=O)c1cc(O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc(C(=O)OC)c1 7635327 ZTTIIUJSINGLSK-AWEZNQCLSA-N 399.443 3.789 0 40 GHAB COc1cccc(CC(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1 7682182 OEKKCCSQRMDFEC-JTQLQIEISA-N 383.231 3.510 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C)cc1Cl 7775131 LHLYQRYBEZWFSN-SNVBAGLBSA-N 392.868 3.856 0 40 GHAB CC(C)NC(=O)NCc1ccc(C(=O)Nc2cccc(Br)c2)cc1 8060272 UJEZFTIJDVAFGN-UHFFFAOYSA-N 390.281 3.909 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2)n1 8071909 PZPSGPKWKFYSAZ-UHFFFAOYSA-N 392.850 3.976 0 40 GHAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)c1ccc(Cl)s1 8157169 LZIGGGQGFWOSEH-MRVPVSSYSA-N 375.928 3.819 0 40 GHAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccnn1Cc1cccs1)C(C)C 8231757 VWBHBDLOOVMKRQ-LJQANCHMSA-N 396.516 3.694 0 40 GHAB COc1ccc([C@@H](CNC(=O)Cc2c[nH]c3ccccc23)N2CCCC2)cc1 8327422 HELUMCCLJVMRBM-JOCHJYFZSA-N 377.488 3.672 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1 8414530 YUXFOUNNZFXTGJ-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(F)cc4)cc3)C(=O)[C@H]2C1 8472278 PCDTYPFMCOIRHF-MOPGFXCFSA-N 378.403 3.924 0 40 GHAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 8942245 PBYMTZWGTQSVKR-UHFFFAOYSA-N 391.427 3.713 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2cccc(Br)c2)cc1 9033382 WCYBCDJJEXKYSL-UHFFFAOYSA-N 392.249 3.572 0 40 GHAB O=C(Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)c1csnn1 9250831 HCDFOFHAPHTVBJ-UHFFFAOYSA-N 398.513 3.661 0 40 GHAB C[C@H]1CC(=O)c2c(OCC(=O)Nc3ccc4c(c3)OCCCO4)ccc(F)c21 9869262 UETDRQXLDAYGPG-LBPRGKRZSA-N 385.391 3.694 0 40 GHAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCCN1CCc2ccccc21 10113791 CHRMLENASLEEMX-UHFFFAOYSA-N 399.343 3.866 0 40 GHAB Cc1ccc(CNC(=O)NCC(=O)Nc2ccc(Br)c(C)c2)cc1 10917265 ONUWNMSGPGEDHD-UHFFFAOYSA-N 390.281 3.504 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccccn1 12526913 ZVLKXSGDDCKEDY-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc2cc(F)ccc2s1 12693359 GIRGKWVUVWMGJY-UHFFFAOYSA-N 390.461 3.733 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1 12777680 MUXDWNXACCGENK-UHFFFAOYSA-N 395.434 3.785 0 40 GHAB CC(C)c1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1 12859118 AGFUXUCEKIEJRD-UHFFFAOYSA-N 377.444 3.698 0 40 GHAB CCCCCC[C@@]1(C)NC(=O)N(C[C@H](O)COc2c(C)ccc(C)c2C)C1=O 12889667 GIYJLDUIVYZVTJ-PGRDOPGGSA-N 390.524 3.632 0 40 GHAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCC[C@@H]2c2ccccc2)C1=O 12935307 UCAWZUYTWHUKIA-NQIIRXRSSA-N 385.414 3.526 0 40 GHAB COC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccccc1Cl 12950546 BDWIWQFLEVHQSJ-CQSZACIVSA-N 399.855 3.783 0 40 GHAB COc1ccccc1CNC(=O)[C@H](C)OC(=O)/C=C/c1cccc2cccnc12 12971394 BXHZBUJWJOIELS-DBTPVHCXSA-N 390.439 3.505 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)CN[C@@H](C)c2ccc(Cl)cc2)c(C)c1 12987457 NUJKNPBAMFTXEI-INIZCTEOSA-N 387.911 3.671 0 40 GHAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(-n2cncn2)cc1 12988905 NQJYFFVKRXGDCT-INIZCTEOSA-N 378.476 3.821 0 40 GHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccc(N2CCCC2=O)cc1 13019998 QVOYIAOGJBPIAH-HNNXBMFYSA-N 386.879 3.859 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2NC(Nc3ccc(Cl)cc3Cl)=NC2=O)cc1 13692802 RTFOYYCPJHAHHS-OAHLLOKOSA-N 391.258 3.597 0 40 GHAB Fc1cccc(-c2nn3c(-c4cncc(Br)c4)nnc3s2)c1 13723210 HIDBGIQAVNKUAX-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)N2CCCCC2)o1 15860185 NIMJEZBKDNZLDG-QGZVFWFLSA-N 376.884 3.964 0 40 GHAB CCN1CCN(c2ccc(NC(=O)Cc3ccc4c(c3)CCC4)cc2C)CC1 16300083 RPSUAVHQMHEUKS-UHFFFAOYSA-N 377.532 3.807 0 40 GHAB CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(O)c1 16750334 AHXKSYZCZUXUFQ-FQEVSTJZSA-N 393.439 3.859 0 40 GHAB Cc1cnc(C(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)cn1 19238990 UKRCBGLFAYSTIG-UHFFFAOYSA-N 398.938 3.755 0 40 GHAB CC(C)[C@@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1ccc(F)cc1 19445747 ZPNZLJYCWHFOIQ-LTWUZEEKSA-N 397.498 3.621 0 40 GHAB COc1ccc2ccccc2c1CN(CCN1CCOCC1)Cc1cccnc1 19564026 ZLSCHRCHNDCHNG-UHFFFAOYSA-N 391.515 3.578 0 40 GHAB O=C(CN1CCC(c2ccccc2)CC1)Nc1cnn(Cc2cccc(F)c2)c1 19661246 XEVAZRJZEMAFRN-UHFFFAOYSA-N 392.478 3.889 0 40 GHAB CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)CCC2CCCC2)C1 19702453 JTEWJCGFFPKJMO-OAHLLOKOSA-N 385.533 3.942 0 40 GHAB CCOc1ccc(C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)cc1Br 20142361 AKVPEEWVYDCTKS-UHFFFAOYSA-N 394.221 3.812 0 40 GHAB COc1ccc(C(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)cc1 21151419 QAFOHXAZCCRXEE-HSZRJFAPSA-N 389.499 3.563 0 40 GHAB CC(C)n1cnc2nc(CSc3ccc(NC(=O)C(C)(C)C)cc3)cc(=O)n21 21797629 SHKQUOGOAVDLBY-UHFFFAOYSA-N 399.520 3.749 0 40 GHAB O=C(c1ccc2ccccc2c1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 21842474 DDMSZQHCXOTHNQ-SFHVURJKSA-N 385.510 3.731 0 40 GHAB 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COCCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl 7552658 JJOXQZNBHPZGDX-MRXNPFEDSA-N 399.274 3.686 0 40 GHAB CC[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1 7647195 IFFVZRLUMQORBG-MRXNPFEDSA-N 398.850 3.596 0 40 GHAB CC(=O)c1cccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c1 7807426 PWDQMERBOYSBGV-UHFFFAOYSA-N 389.455 3.968 0 40 GHAB O=S(=O)(c1ccc(-c2csc(NC3CCCC3)n2)cc1)N1CCCC1 7843320 VGOAMFYVCVUOJV-UHFFFAOYSA-N 377.535 3.949 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3CC)C2)cc1 7881909 HNOKSFPHEVEYBA-GOSISDBHSA-N 394.471 3.807 0 40 GHAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2cc(C)ccc2C)c1 8414983 IUJAJSGTNYYIOU-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB COc1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)N3CCCCC3)no2)cc1 8623736 BUXXWYXHKFIMGR-OALUTQOASA-N 397.519 3.521 0 40 GHAB biogenic,in-vitro Cc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(Cl)cc2)c1 9237502 NKZDJPLQNPUNCC-IAGOWNOFSA-N 399.907 3.946 0 40 GHAB Fc1ccc(-n2ncc3c(NCc4ccccc4Cn4cccn4)ncnc32)cc1 9478585 BWDVNGGWHHLMRX-UHFFFAOYSA-N 399.433 3.812 0 40 GHAB O=C1c2ccccc2C(=O)N1Cc1ccc2c(c1)N=C1c3ccccc3C(=O)N1C2 9489255 MNOUQYJOMZCZNX-UHFFFAOYSA-N 393.402 3.531 0 40 GHAB O=C(CC1(CC(=O)N2CCOCC2)CCCC1)Nc1cccc(C(F)(F)F)c1 9614154 JZVMHFWDLFHUKG-UHFFFAOYSA-N 398.425 3.843 0 40 GHAB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)CC(C)(C)O3)cc1 10298904 UPYDKRRHNMPLMH-BOPFTXTBSA-N 376.412 3.732 0 40 GHAB Cc1cc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)ccc1N1CCCC1=O 10751594 OGAHJEYSVLDBDN-NRFANRHFSA-N 381.451 3.693 0 40 GHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)n3cccc/c3=N\C(C)C)cc2C1=O 10798820 WZNFFWVIHDRGTC-NJNXFGOHSA-N 399.450 3.595 0 40 GHAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(Cl)nc2ccccc12 11529384 CINAOTGCTBFPEV-UHFFFAOYSA-N 383.835 3.516 0 40 GHAB CCOC(=O)c1cc2c(c(CSc3nc(C)nc4c3CCC4)c1)OCOC2 12016990 XVLQVPOIVPSKLM-UHFFFAOYSA-N 386.473 3.609 0 40 GHAB CC(C)(C)C1=NN(CC(=O)N2CCCCC2)C(=O)c2cc3ccccc3n2C1 12088498 BOVWTRCXCILUGM-UHFFFAOYSA-N 380.492 3.512 0 40 GHAB FC(F)(F)c1cc([C@@H]2CN(CC3=CCCOC3)C[C@H]2c2ccccc2)n[nH]1 12129200 CSVPVABGJATWGG-DLBZAZTESA-N 377.410 3.958 0 40 GHAB COc1ccccc1C(=O)Nc1sc(SCC(N)=O)nc1-c1ccccc1 12442842 PWXZXVDQCCEBJO-UHFFFAOYSA-N 399.497 3.648 0 40 GHAB C[C@@H](Nc1ccccc1SCC(N)=O)C(=O)Nc1ccc(C(F)(F)F)cc1 12783085 LEDKDANMXBQOKL-LLVKDONJSA-N 397.422 3.722 0 40 GHAB Cc1nc2ncnn2c(C)c1CC(=O)NCCC(c1ccccc1)c1ccccc1 12790149 YMHLWQHVNQTDBY-UHFFFAOYSA-N 399.498 3.622 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(OCc2cscn2)cc1 12908844 GQPMBCFWIVAVCM-IBGZPJMESA-N 397.500 3.882 0 40 GHAB COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)c1OC 13695381 GXAKEYXCMUPBGX-UHFFFAOYSA-N 392.411 3.752 0 40 GHAB COc1cc(/C=C2\N=C(c3cccc(OC(F)F)c3)OC2=O)cc(OC)c1 14236488 AHLKOZTZLROGIM-PXNMLYILSA-N 375.327 3.650 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 14266981 IXIKENZZECJTTB-UHFFFAOYSA-N 380.404 3.628 0 40 GHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)C[C@@H](NC(N)=O)c1cccs1 14375782 ZOTNTLSLLDRSLP-CYBMUJFWSA-N 386.304 3.813 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1c2c(nc3ccccc13)CCC2 14793545 QNLYODMAAPEIAJ-UHFFFAOYSA-N 375.428 3.943 0 40 GHAB COc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2c2ccccc2)cc1 15412224 JCFFWJOBWCDIHH-JOCHJYFZSA-N 390.414 3.955 0 40 GHAB CCCNc1c(NC(=O)Cc2ccc(OC)c(OC)c2)c(=O)oc2ccccc12 15768060 STMBBRXHVOZFHU-UHFFFAOYSA-N 396.443 3.813 0 40 GHAB O=C(COc1ccccc1C(=O)NCCc1cccs1)Nc1ccccc1F 15788449 VJFOAJOTEYWUKO-UHFFFAOYSA-N 398.459 3.877 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N(C)Cc2ccccc2C)c1 16352103 ZBIMATNEKUXMAE-NRFANRHFSA-N 382.504 3.808 0 40 GHAB CCOC(=O)c1ccc(CNC(=O)CSc2cccc3cccnc23)cc1 16687807 HIQIJQROMPFJSC-UHFFFAOYSA-N 380.469 3.820 0 40 GHAB CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1cccn1-c1ccncc1 19527192 JOXSFIYXKLPXOU-QFIPXVFZSA-N 375.520 3.754 0 40 GHAB CCOc1ccc([C@H](C)N(C)C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 19532630 YZEBCOOYVHBJHJ-DOTOQJQBSA-N 384.451 3.797 0 40 GHAB CN1CCN(Cc2ccncc2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19589441 VFWOIDDJFAZSAK-XMMPIXPASA-N 385.511 3.882 0 40 GHAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 20105519 CEESROJGEJCGSF-UHFFFAOYSA-N 395.484 3.762 0 40 GHAB 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CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(O)c3c(C)cc(C)nc3n2)cc1 24754736 FCMOKMWWGQEEEN-CYBMUJFWSA-N 396.472 3.669 0 40 GHAB Cc1cccc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Br)c2C)n1 27936253 XPJIUGAMDIAHGT-SECBINFHSA-N 391.191 3.876 0 40 GHAB CN(CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCc2ccccc21 29810953 BGMVWMXKTIBIAA-GOSISDBHSA-N 394.334 3.842 0 40 GHAB CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 31076629 XSGZAUBMQNOOPZ-CQSZACIVSA-N 396.340 3.809 0 40 GHAB C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccc(COc2ccccc2)cc1 32304331 QBUNHVWBCLNHGH-INIZCTEOSA-N 394.496 3.762 0 40 GHAB CC[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)n1nnc(-c2ccc(Cl)cc2)n1 32808713 INJUJKFPAGJZQY-SJORKVTESA-N 397.866 3.585 0 40 GHAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1cncc(Br)c1 32930148 QHMLMSJLPMNFFF-UHFFFAOYSA-N 377.135 3.932 0 40 GHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OC)cc3C)C2=O)o1 33509388 VYFASQKSXOOQQX-CXUHLZMHSA-N 387.413 3.620 0 40 GHAB CCOc1ccccc1C(=O)Nc1nn(C)c2c1[C@H](c1cccs1)CC(=O)N2 36705642 FQFBZYFLSZFOFV-ZDUSSCGKSA-N 396.472 3.607 0 40 GHAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1cncc(Br)c1 40122075 IUBOCJBBWJXEMH-UHFFFAOYSA-N 389.297 3.550 0 40 GHAB O=C(O)CCCNC(=O)CCn1ccc2cc(OCc3ccccc3)ccc21 40313318 HDUONPSUSGRNSE-UHFFFAOYSA-N 380.444 3.591 0 40 GHAB biogenic Cc1ccc(Cc2cnc(NC(=O)C3CCN(C(=O)C4CC4)CC3)s2)cc1C 44631896 WKCGIYJYBJGJRM-UHFFFAOYSA-N 397.544 3.938 0 40 GHAB CCn1cnnc1CNc1nc(CN2CCC(C)CC2)nc2sc(C)c(C)c12 48300466 BBBGASOSTIABMZ-UHFFFAOYSA-N 399.568 3.764 0 40 GHAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1nc(N)nc(Nc2ccccc2)n1 48325262 OIPYYLBUCIFQKB-LBPRGKRZSA-N 390.476 3.836 0 40 GHAB CC(C)c1nnc(NC(=O)c2cc(F)ccc2NC(=O)N2CCCC2)s1 49551345 PTTAQISICNAACB-UHFFFAOYSA-N 377.445 3.681 0 40 GHAB Nc1c(Cl)cc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1Cl 53490830 GMDKSOAVXRKFJD-UHFFFAOYSA-N 395.242 3.948 0 40 GHAB Cc1c(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)oc2ccccc12 58192377 AAIMPTURLXWCLN-UHFFFAOYSA-N 377.488 3.915 0 40 GHAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 60350809 HZRLWXZTUXRVKB-WFASDCNBSA-N 377.366 3.885 0 40 GHAB CC(C)c1ccsc1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 64711630 KDCRFAOFBYZNMR-FQEVSTJZSA-N 385.577 3.980 0 40 GHAB O=C(CCc1nc2ccccc2[nH]1)NC[C@H]1CCCCN1Cc1ccccc1 65474644 NVBRDVVXECPYII-LJQANCHMSA-N 376.504 3.666 0 40 GHAB O=C(OCCCc1cccnc1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 66518303 HRFLZQKEIIYSMG-OAHLLOKOSA-N 393.270 3.917 0 40 GHAB c1ccc(-c2nnc([C@H]3CC34CCN(Cc3nc(C5CC5)no3)CC4)o2)cc1 71889676 HFPJAIXNHVHJPP-MRXNPFEDSA-N 377.448 3.767 0 40 GHAB O=C(c1csc(-c2ncccn2)n1)N(Cc1cccs1)CC(F)(F)F 78967762 BBUHJVPPWMWKJT-UHFFFAOYSA-N 384.408 3.866 0 40 GHAB O=C(NCc1ccc2c(c1)OCCO2)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502045 HCMVCEYYQONBJN-HUUCEWRRSA-N 377.362 3.897 0 40 GHAB O=C(C[C@@H]1OCCc2ccsc21)NCCc1cc(Cl)c2c(c1)OCCO2 89885379 OGCOAYLEBLKJRD-INIZCTEOSA-N 393.892 3.536 0 40 GHAB CC(C)Oc1cc(CNS(=O)(=O)c2ccc3nc(Cl)sc3c2)ccn1 89887989 WQDKDVYEKXKEDC-UHFFFAOYSA-N 397.909 3.610 0 40 GHAB O=C(NCCCn1ccnc1-c1ccccc1)C1(c2ccccc2)CCOCC1 90583314 QIXUWUHJEKSOTE-UHFFFAOYSA-N 389.499 3.805 0 40 GHAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)N[C@H]1CCO[C@]2(CCOC2)C1 95458147 GAGQQKALYUSGEG-OXJNMPFZSA-N 393.915 3.790 0 40 GHAB CCOCC1CCN(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CC1 95959311 BUBHKDXHOZELIW-UHFFFAOYSA-N 379.464 3.701 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1F 96103614 UGCBHGZEJWSOGZ-UHFFFAOYSA-N 394.402 3.878 0 40 GHAB Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 100664310 OVUWNCFGSFNZFK-ILHTXMRTSA-N 398.462 3.805 0 40 GHAB COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 113873543 QICIJMRZVDCZSQ-UHFFFAOYSA-N 388.272 3.670 0 40 GHAB COC[C@@H](C)NC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 199405056 ADMXUZICVFDEST-LJQANCHMSA-N 396.531 3.629 0 40 GHAB Cc1ccccc1N(CCCC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O 222549545 UUIKQYKFONLVJB-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1C1CCCCC1 223573907 NMAHDNLUZZCWEW-SFTDATJTSA-N 398.576 3.970 0 40 GHAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cn1 224046025 GRYRUJDDABLSHK-CQSZACIVSA-N 384.505 3.676 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F 225281198 FZXXKKPLMKMVCR-HXUWFJFHSA-N 388.458 3.841 0 40 GHAB Cc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1C 225691909 UMTKJNVIKOAVII-FQEVSTJZSA-N 396.531 3.667 0 40 GHAB O=C(c1cc(-c2ccco2)on1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225728942 OJOIACSOMYXATA-LBPRGKRZSA-N 393.321 3.642 0 40 GHAB Fc1ccc(CCCNC(=S)Nc2nc(Cl)cc(N3CCCC3)n2)cc1 225969793 HZHSRMGABSOLRC-UHFFFAOYSA-N 393.919 3.789 0 40 GHAB CCOc1ccc([C@H]2[C@H](C(=O)NCCc3ccccc3)CCC(=O)N2CC)cc1 257344691 ZYHWPJRLOKTRSF-GGAORHGYSA-N 394.515 3.744 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc2oc(=O)ccc2c1 408628721 WKXYTHZERYBSSL-YCRREMRBSA-N 384.844 3.973 0 40 GHAB CCOc1cc(Br)c(/C=C2\SC(=O)N(C)C2=O)cc1OCC 408818118 XXZRSDVURSXOPF-QPEQYQDCSA-N 386.267 3.913 0 40 GHAB C[C@@H](Oc1cccc2ccccc12)C(=O)NC[C@H](CO)Cc1ccncc1Cl 550106089 ABKJPSPLUVBSSI-HZPDHXFCSA-N 398.890 3.623 0 40 GHAB CC(C)(C(=O)NCCSc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 558351796 KACNUIPNWRRSKP-UHFFFAOYSA-N 397.949 3.801 0 40 GHAB O=C(Cc1cc2ccccc2c(O)n1)N1CCCN(c2ccccc2Cl)CC1 582841389 WILJOOHDGKJYRN-UHFFFAOYSA-N 395.890 3.875 0 40 GHAB Cc1ccc(C)c(OCc2nc(N3CCc4ccccc4C3)ncc2C(=O)O)c1 585265550 NWGZRLMDMWJHEI-UHFFFAOYSA-N 389.455 3.933 0 40 GHAB Cc1ccc2cc(CNC[C@@H](O)COc3ccc(Cl)c(C)c3)c(O)nc2c1 585292866 PEYXTSRYEISYKB-QGZVFWFLSA-N 386.879 3.740 0 40 GHAB O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@@H]1CCn2ccnc2C1 655254077 YPPQHJIWBSUOAN-CQSZACIVSA-N 393.409 3.582 0 40 GHAB CCc1nc(S(=O)(=O)Cc2ncc(Br)cc2Cl)sc1C 656556827 PTVXBNKQNJIOIC-UHFFFAOYSA-N 395.731 3.799 0 40 GHAB Cc1csc(C2(NC(=O)C(=O)Nc3cnc4c(F)cccc4c3)CCCC2)n1 657957734 QRHVCXKLMHLROK-UHFFFAOYSA-N 398.463 3.663 0 40 GHAB Cn1cnc(CCNC(=O)N2CCC[C@]2(C)Cc2cccc3ccccc23)c1 665108195 DTLRANKMTFLHOY-HSZRJFAPSA-N 376.504 3.923 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc3c(N)ncnc3c2)cc1 665613656 INQFIRBVCXRFEB-HXUWFJFHSA-N 376.460 3.978 0 40 GHAB O=C(c1ccn(-c2ccccc2C(F)(F)F)n1)N1CCCC[C@@H]1c1cc[nH]n1 1117223055 PVLLPRYTTQXARU-QGZVFWFLSA-N 389.381 3.982 0 40 GHAB Cc1nn(C)cc1CCC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615154345 FVPONJYXWMBYKQ-SFTDATJTSA-N 398.526 3.849 0 40 GHAB CCc1nn(C)cc1S(=O)(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 1666284771 DZYBAAFIKFXAIW-HXUWFJFHSA-N 387.480 3.532 0 40 GHAB CN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1ccccc1 23709719 PDSAXUDKTCLXHB-UHFFFAOYSA-N 380.469 3.788 0 40 GHAB O=C(CSCc1cccc(Cl)c1)N1CCN(C(=O)c2cccs2)CC1 47740315 RVTMUSKFDNMLME-UHFFFAOYSA-N 394.949 3.619 0 40 GHAB CCOC(=O)[C@@](O)(c1ccc(NC(=S)Nc2ccccc2)cc1)C(F)(F)F 2250718 HVNGOJHBUOQLAS-KRWDZBQOSA-N 398.406 3.809 0 40 GHAB CCn1c(N[C@@H]2CC(=O)N(c3cccc4ccccc34)C2=O)nc2ccccc21 2754237 LZVCRNBTKMLTMI-GOSISDBHSA-N 384.439 3.953 0 40 GHAB Cn1ccnc1[C@H](NC(=O)c1ccc(Br)cc1F)c1ccccc1 12579880 HAAVOJLTCYYLBC-MRXNPFEDSA-N 388.240 3.841 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2OC(F)F)c1 3573395 VGEWSFXMQFOGOO-LBPRGKRZSA-N 377.343 3.675 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)C1 4084044 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VBWMVTDZCYQMLK-YJUYQMCSSA-N 381.520 3.766 0 40 GHAB COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NC(=O)c1ccccc1 2238810 MIRYLRPGPCITSC-UHFFFAOYSA-N 385.423 3.861 0 40 GHAB O=C(Cc1ccccc1)NC(=S)Nc1c(Cl)cc(C(=O)O)cc1Cl 59843104 WCGUSRFRGOOYML-UHFFFAOYSA-N 383.256 3.747 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccc(C)cc1 11746624 DAWMOCPGEVTBRL-HXUWFJFHSA-N 393.487 3.636 0 40 GHAB Cc1cc(C(=O)COC(=O)c2cccc(O)c2)c(C)n1-c1ccc2c(c1)OCO2 2640146 JZSZKVPZGYJGAA-UHFFFAOYSA-N 393.395 3.568 0 40 GHAB CC(C)S(=O)(=O)N1[C@H](COc2cccc(C(F)(F)F)c2)[C@@H]2CC[C@@H]1C2 100112684 GYWFUMLDKAOKGH-XNRPHZJLSA-N 377.428 3.675 0 40 GHAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc2ccccc2oc1=O 3263249 CILHTDPZRMTOSE-UHFFFAOYSA-N 393.439 3.777 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc(-c3ccncc3)no2)cc1 22462389 LKSUOCFGFOITPE-UHFFFAOYSA-N 392.440 3.908 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(OC(F)(F)F)cc1 12798363 HRNQAPLVOADJCQ-UHFFFAOYSA-N 395.333 3.958 0 40 GHAB C[C@H]1CCCC[C@H]1Nc1nnc(SCC(=O)NCc2ccccc2)s1 3337717 PTJUBCGQXGUQBK-DZGCQCFKSA-N 376.551 3.937 0 40 GHAB Cc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 12805982 FAGBSGVQVOCPCZ-UHFFFAOYSA-N 397.500 3.903 0 40 GHAB CCOc1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(Cl)cc2)C(C)C)cc1 3517743 KNXQYCFMDMOCMH-LJQANCHMSA-N 388.895 3.810 0 40 GHAB O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 12948201 LGVLTMMYTHIBRN-MGPUTAFESA-N 390.474 3.998 0 40 GHAB CC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)CC(C)(C)O 84597236 ZBFDCIRLJQZOAI-UHFFFAOYSA-N 386.540 3.590 0 40 GHAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCC(c1ccccc1)c1ccccc1 6082957 NFQLRRRRUOIKOQ-UHFFFAOYSA-N 397.478 3.804 0 40 GHAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc(F)cc1 4285921 OVIPYEMNSSJQMT-UHFFFAOYSA-N 389.477 3.733 0 40 GHAB CC[C@H](C)NC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 9250354 ICMALWOYDNPOPK-HNNXBMFYSA-N 386.517 3.900 0 40 GHAB CCN(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 6274450 HASPVTHPPBTYJY-UHFFFAOYSA-N 380.897 3.606 0 40 GHAB O=S1(=O)N(Cc2ccccc2F)CCCN1Cc1c(F)cccc1Cl 4483347 VCIZRJFJXVODLK-UHFFFAOYSA-N 386.851 3.571 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)c1C 14066348 GEZYAQGSTVPMDR-UHFFFAOYSA-N 378.451 3.795 0 40 GHAB O=C(c1cc2c(F)cc(Br)cc2[nH]1)N(C[C@@H]1CCOC1)C1CC1 65624156 QYHDHEIIGRHNRK-JTQLQIEISA-N 381.245 3.711 0 40 GHAB COC(=O)c1ccoc1CSc1nc(-c2ccc(Br)cc2)n[nH]1 14200669 KPAANTDUVUXBDL-UHFFFAOYSA-N 394.250 3.906 0 40 GHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3ccccc3C)no2)C1=O 14244327 KHZZWWOLSALXSM-NRFANRHFSA-N 394.406 3.541 0 40 GHAB CCCCOCCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O 14246296 VGMHGHVWBBEHIS-UHFFFAOYSA-N 394.471 3.732 0 40 GHAB O=C(Oc1ccc(C(=S)N2CCOCC2)cc1Cl)c1ccc(F)cc1 4671970 KVTLDAJPGAZURT-UHFFFAOYSA-N 379.840 3.706 0 40 GHAB C[C@@H]1CN(Cc2ccccc2)c2ccccc2N(C(=O)CCN2CCCC2=O)C1 84715214 RQUKUNNIIOCWJZ-LJQANCHMSA-N 391.515 3.688 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2ccc(Br)cc2)cc1Cl 5717571 IPIBNNZZHMOGEP-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB Cc1ccc(C(C)(C)CN(C)C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 94060635 YLBUKJHKLKYADG-IBGZPJMESA-N 395.551 3.621 0 40 GHAB Cc1ccc(C)c(OCCOC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1 7737435 RCUYNVCUKOGBNX-UHFFFAOYSA-N 384.400 3.536 0 40 GHAB CC(=O)c1ccc(OCCCC(=O)OCC(=O)N2CCCc3ccccc32)cc1 7781053 ZPSUQXIOVGVTKL-UHFFFAOYSA-N 395.455 3.571 0 40 GHAB CCc1ccc([C@H](C)NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 83823621 JTHIHWWWDPUUSN-ZDUSSCGKSA-N 394.924 3.595 0 40 GHAB CN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 83858996 NPSQOITYMAWLSS-HNNXBMFYSA-N 388.389 3.631 0 40 GHAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC[C@H]1c1nc2ccccc2s1 8402635 KMZXZYHUZYVEBN-INIZCTEOSA-N 380.469 3.974 0 40 GHAB Cc1ccc(O)c(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 72015673 MYWCVCHSZPPHKO-AWEZNQCLSA-N 392.377 3.707 0 40 GHAB CCOC(=O)N1CCN(c2ncnc3sc(-c4ccccc4)c(C)c23)CC1 8939793 NQXBQXANKAPGHA-UHFFFAOYSA-N 382.489 3.945 0 40 GHAB Cc1csc(N(C(=O)Cn2cnc3c(C)cccc3c2=O)c2ccccc2)n1 8982990 WFDJHUKHSSHFKU-UHFFFAOYSA-N 390.468 3.835 0 40 GHAB Fc1cc(Br)cc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 95980437 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MNGICVYDKJPESH-UHFFFAOYSA-N 375.490 3.652 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N3CCc4ccccc4C3)o2)c1 36796159 FYOYPWYEDWKIJQ-UHFFFAOYSA-N 395.484 3.634 0 40 GHAB CC(C)CNc1ccc(C(=O)O)cc1S(=O)(=O)NCCC1=CCCCC1 217453226 JFIIXKLCVFUBAB-UHFFFAOYSA-N 380.510 3.622 0 40 GHAB CC[C@@H](C(=O)N(C)C1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 216483157 WCAKXYYVQHDNBO-KRWDZBQOSA-N 386.945 3.676 0 40 GHAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3nc(-c4cccs4)no3)cc2)C1 219241008 ZZPOFQMKZQSGLC-HNNXBMFYSA-N 396.516 3.960 0 40 GHAB O=C(Cc1cccnc1)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 72362363 AMDARLRQFCHSDU-UHFFFAOYSA-N 392.434 3.752 0 40 GHAB CC(C)[C@@H](C)N(CC(F)(F)F)S(=O)(=O)c1cnn(Cc2ccccc2)c1 565924024 XMEXSOUMNFCEQW-CQSZACIVSA-N 389.443 3.529 0 40 GHAB O=C(NCc1ccc(F)cc1C(F)(F)F)C1CCN([C@H]2CCSC2)CC1 561144606 JPWVKFDXAMJROA-HNNXBMFYSA-N 390.446 3.678 0 40 GHAB Cc1cccc(CN(C(=O)COc2cc(C)ccc2C)[C@H](C)C(=O)NC(C)C)c1 225510097 GOVZLTYENCEQJD-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB CN(C)C(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)n2cccc2)ccc1F 575443320 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DLJWDFSLJGLVBW-UHFFFAOYSA-N 395.425 3.828 0 40 GHAB CN(C)CCCn1cnc2cc(NC(=O)c3cc4ccccc4n3C)ccc21 95478082 XCJMAJXSDKXGSZ-UHFFFAOYSA-N 375.476 3.732 0 40 GHAB Cc1nc(-c2cncc(C(=O)O)c2)cc([C@@H]2CCCCN2C(=O)C(C)(C)C)n1 257329105 XILAWXGCYFZSPU-SFHVURJKSA-N 382.464 3.645 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3C)CC2)on1 257317738 VKXXBBFFXCIHKQ-QSPRXWTASA-N 397.523 3.552 0 40 GHAB Cc1cc(C)nc(Nc2ccc([C@H]3CN(Cc4cnc(C)s4)CCO3)nc2)n1 257203157 AOWYLCXLNCPNIE-LJQANCHMSA-N 396.520 3.570 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(Cc2ccncc2)C2CC2)[C@@H]1c1ccccc1C 257233288 GOPXKNYGVBVPHV-GGAORHGYSA-N 391.515 3.881 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)cn1 257284886 PESPMPZISLKKJA-SFHVURJKSA-N 382.851 3.995 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 260813019 OIIFAQAYIBVZEG-SJORKVTESA-N 388.533 3.589 0 40 GHAB Cc1ccc(N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1 260928759 KTHNXRNCVXESLI-GOSISDBHSA-N 388.533 3.564 0 40 GHAB CCOC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC(=O)c1cccc(F)c1 41430891 JTJQARLTLHYSQM-UHFFFAOYSA-N 398.386 3.955 0 40 GHAB biogenic CCC[C@@H](NC(=O)Nc1cccc(-c2nnnn2C(C)C)c1)c1ccccn1 626637813 BUAXTPSMEMZOMU-GOSISDBHSA-N 379.468 3.979 0 40 GHAB O=C(N[C@H](CO)Cc1cncs1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 1149832136 FQVLZFIOWRDJNF-HKUYNNGSSA-N 386.904 3.648 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@H](Oc2ccncc2Cl)C1 575613520 RJQUFHZEVXTBJF-YHVDPYDOSA-N 378.881 3.579 0 40 GHAB Cc1nc2ccccc2n1[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 585149227 QDXNAEWJCFRMCJ-LJQANCHMSA-N 395.528 3.859 0 40 GHAB C[C@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)N[C@@H](C)c1ccccc1 585655858 OTAXUHCVMDWHSI-KBPBESRZSA-N 391.500 3.875 0 40 GHAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)Cc2ccccc2)cc1 72354687 JSMDPAPKNJJKLV-HXUWFJFHSA-N 388.471 3.641 0 40 GHAB COc1ccccc1[C@@H]1[C@@H](C(=O)NC(C)C)SCC(=O)N1C1CCCCC1 952964776 OHCDKRKOHKXZND-UXHICEINSA-N 390.549 3.538 0 40 GHAB COc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc(OC)c1OC 12116159 QUUBVSOLUAEIGN-QGZVFWFLSA-N 395.459 3.956 0 40 GHAB Cc1cc2nccc([C@H]3CCCN(C(=O)Cc4c(F)cccc4Cl)C3)n2n1 12119023 BXHRWKUCNKKKRA-AWEZNQCLSA-N 386.858 3.779 0 40 GHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(C(=O)C3CCC3)C2)on1 12123514 HGQUBFBCEVAEID-INIZCTEOSA-N 379.464 3.507 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3cc(C)n(C)n3)ccc2-n2ccnc2)cc1 12147052 ZPHCJJGNFFJSTL-UHFFFAOYSA-N 387.443 3.842 0 40 GHAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N(CCN(C)C)Cc1ccccc1F 12238181 NWBVNJNOJGMMCJ-UHFFFAOYSA-N 385.458 3.887 0 40 GHAB CCCNC(=O)CN1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(OC)cc1 12411129 ZXINZSMUSVDPCH-QHCPKHFHSA-N 377.488 3.650 0 40 GHAB biogenic,in-vitro Cc1cc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)no1 12545455 ATLQAKQNNFOMLB-UHFFFAOYSA-N 378.148 3.815 0 40 GHAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 12588289 ILNPPEBYSRMAMG-RZRGVZILSA-N 388.460 3.976 0 40 GHAB COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S@@](=O)Cc2ccc(C)cc2)cn1 12954776 UKBGNIASULYWLD-KVACCUTFSA-N 399.299 3.933 0 40 GHAB O=c1cc(-c2cccc3ccccc23)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 13639807 XRRVFIVIOGJMJG-UHFFFAOYSA-N 396.494 3.912 0 40 GHAB COc1ccc(-c2nn(C)c(NC(=O)c3ccc(C(C)(C)C)[nH]c3=O)c2C)cc1 19557331 XVCMPJFLSMSIRE-UHFFFAOYSA-N 394.475 3.642 0 40 GHAB COc1ccc(C(=O)N2Cc3ccccc3OC3(CCC(N(C)C)CC3)C2)cc1 19584017 AGRFFSKVFIEJQP-UHFFFAOYSA-N 394.515 3.973 0 40 GHAB Cc1cc(C(F)F)n2ncc(C(=O)N[C@@H](C)COc3ccc(Cl)cc3)c2n1 19714890 VUWZIXQBOMDSFR-NSHDSACASA-N 394.809 3.826 0 40 GHAB CC(=O)c1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 7399744 ODOSUBNQMOPFCI-ZHZULCJRSA-N 399.410 3.773 0 40 GHAB Cc1cc(C)n(CCCC(=O)N2CC[C@H](c3ccccc3)[C@H]3NCCCC[C@H]32)n1 19574114 IIOTWTPISUNVIV-CQOQZXRMSA-N 394.563 3.807 0 40 GHAB O=S(=O)(c1ccccc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 1327437 YHEOIRVPEMSGLR-UHFFFAOYSA-N 375.881 3.785 0 40 GHAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1cc2ccccc2oc1=O 1889073868 XZNJDTPNCHQITC-CQSZACIVSA-N 381.409 3.578 0 40 GHAB Cc1cccc(C)c1C(=O)N1CCC2(CC1)Cc1ccccc1CN(C)C2=O 1189046879 FKSVIQYWUABPCE-UHFFFAOYSA-N 376.500 3.741 0 40 GHAB COc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccccc4)nn23)cc1 4164915 BAKMBWYIFKVBRE-UHFFFAOYSA-N 391.456 3.531 0 40 GHAB Cc1cccc(CC(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)c1 4374816 IBEUTPXOCHLMKZ-UHFFFAOYSA-N 394.475 3.807 0 40 GHAB O=C1C[C@@H](c2cc(Br)cs2)c2c(c3ccccc3[nH]c2=O)O1 4625917 WVGCCWZFYRMLLH-JTQLQIEISA-N 376.231 3.793 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2ccc(=O)n(Cc3cc(C)ccc3C)c2)c1 7593880 BAMDBKLYBBKGNP-UHFFFAOYSA-N 389.455 3.724 0 40 GHAB O=C(Cc1ccc2c(c1)OCO2)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 9521821 RETNDDYYEGBKQX-UHFFFAOYSA-N 377.400 3.525 0 40 GHAB Cc1ccc(C)c(CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)c1 9761352 SGMQMEMCJSUOPQ-UHFFFAOYSA-N 380.469 3.913 0 40 GHAB CC(=O)Oc1ccc(Br)cc1/C=C/c1nc2ccccc2[nH]c1=O 10013962 APBVPZLTZXLCIW-SOFGYWHQSA-N 385.217 3.781 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 2055822733 VILNIRLTKYCSGC-NRFANRHFSA-N 388.870 3.991 0 40 GHAB O=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 23127638 AVOIOICHHGWFEO-UHFFFAOYSA-N 378.925 3.531 0 40 GHAB CCCCc1c(O)nc(SCCN(CC)CC)n(-c2ccccc2)c1=O 20064573 HKFFMWAEJZJLFI-UHFFFAOYSA-N 375.538 3.715 0 40 GHAB Cc1ccc(NC(=O)CCc2c(C)nn(C)c2C)c(-c2nc(C3CC3)n[nH]2)c1 40150974 LJHKNULWIYFFJY-UHFFFAOYSA-N 378.480 3.579 0 40 GHAB CCOC(=O)Nc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 40120664 GZHMRMSZKXPMLH-UHFFFAOYSA-N 386.427 3.748 0 40 GHAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1CCc2c([nH]c3ccc(F)cc23)C1 20760558 ZOKPJVYGNVPQEX-HXUWFJFHSA-N 382.391 3.552 0 40 GHAB biogenic CCn1cc(C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(=O)c2cc3c(cc21)OCO3 101498343 IYQWNOUHOQAQKE-FATZIPQQSA-N 396.487 3.791 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCN(C)C[C@H]1c1ccccc1 32900432 USFMWLMIXOONNA-NRFANRHFSA-N 375.472 3.708 0 40 GHAB C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(Cl)cc1Cl 21918052 ICTIPBODDJXCFP-JTQLQIEISA-N 387.288 3.856 0 40 GHAB CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C2CCCC2)cc1 103592290 SZUGBJLWKOLSJE-IBGZPJMESA-N 391.537 3.656 0 40 GHAB COc1cccc(NC(=O)C[C@H](C)NC[C@H](c2cccs2)N2CCCC2)c1 22788523 RUFARVKHCUAWTG-QFBILLFUSA-N 387.549 3.901 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(NC(=O)c2ccco2)s1 23184286 LABJCFQUOGUNEQ-CYBMUJFWSA-N 398.440 3.505 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1 23313073 GKAGLTMKKORSAG-LJQANCHMSA-N 380.444 3.566 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc([C@@H](N)Cc3ccccc3)o2)c1C 1267747 SXNSWWBMGABDNA-INIZCTEOSA-N 382.489 3.660 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2C(=O)N[C@]34CCCC[C@H]3[C@H]2c2ccccc2O4)c1 1322109 SPSIPKWKABOJQM-CLWLKPMESA-N 376.456 3.742 0 40 GHAB biogenic COc1ccc(CNC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 1332911 FCTQRVKERCGOAM-UHFFFAOYSA-N 394.456 3.635 0 40 GHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)NS(=O)(=O)c1ccc(F)cc1 1415016 YZXLJMBGRZAABA-UHFFFAOYSA-N 395.412 3.599 0 40 GHAB COc1ccc(Nc2nnc(SCC(=O)N3CCc4ccccc43)s2)cc1 3478348 GFLYHURAIDDGBE-UHFFFAOYSA-N 398.513 3.972 0 40 GHAB O=C(c1ccc(F)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 4163703 AZBVSDZZXLLWFG-MRXNPFEDSA-N 386.732 3.980 0 40 GHAB CC(C)(C)c1ccc(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 4183390 FLMPQOFCGUWPNE-QGZVFWFLSA-N 391.558 3.875 0 40 GHAB O=C(COC(=O)c1ccc2ncsc2c1)NCC12CC3CC(CC(C3)C1)C2 4546291 HQFJBOWRMAHVCV-UHFFFAOYSA-N 384.501 3.786 0 40 GHAB Cc1ccc(Cl)c2sc(NC(=O)CS(=O)(=O)c3ccccc3)nc12 5190089 AXZQGGYEZGZJJD-UHFFFAOYSA-N 380.878 3.671 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)C(=O)NCc2ccccc2)c1-c1ccccc1 5300083 JTSCMEVGMQPWMK-UHFFFAOYSA-N 390.439 3.666 0 40 GHAB CCOC(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 5947926 JGLHAQYOUIZWRP-UHFFFAOYSA-N 378.144 3.712 0 40 GHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O 6937269 XGCWJJJJXFLBSL-RFRKOGIWSA-N 390.505 3.911 0 40 GHAB Cn1c(SCCCc2nc(-c3ccccc3)no2)nnc1-c1ccncc1 7329588 YTSOEPVDVZNCAC-UHFFFAOYSA-N 378.461 3.652 0 40 GHAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(C)Cc1ccc2c(c1)OCO2 7640844 YCWKDROLFYGQFS-LBPRGKRZSA-N 396.365 3.773 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(F)c2)c1 8058947 HBJFBVBUVUTWJY-KRWDZBQOSA-N 383.416 3.508 0 40 GHAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC2CC2)cc1OC 8077271 NGTRJZTWZFEUCX-UHFFFAOYSA-N 377.444 3.508 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc2ncccc12 8231701 HZEKARAFDRHFHF-UHFFFAOYSA-N 381.741 3.707 0 40 GHAB C=CCOc1ccc(Br)cc1/C=C(\Sc1nnc(C)[nH]1)C(=O)O 8272226 UDLAYPRGUURZOL-JYRVWZFOSA-N 396.266 3.658 0 40 GHAB Cc1cc(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)c(C)n1C1CC1 8314368 FQLWDIXLTYWVRQ-CQSZACIVSA-N 392.550 3.857 0 40 GHAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1nc2c(ccc3ccccc32)s1 8394118 JJUWNJVSWVIAFD-UHFFFAOYSA-N 386.436 3.867 0 40 GHAB Cc1ccc(S(=O)(=O)CC(=O)Nc2cc(C)c(Br)cc2C)cc1 8475388 RLYPNPYTIWZVEH-UHFFFAOYSA-N 396.306 3.787 0 40 GHAB CC(=O)Oc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@]21CC(C)(C)NC(=S)N1 8578808 AYSYGLFCZRLLKZ-KNQAVFIVSA-N 396.512 3.977 0 40 GHAB CCC(=O)N1CCc2ccc(NC(=O)c3ccc(Br)o3)cc2C1 9035412 ZOXRGUGOONYHCC-UHFFFAOYSA-N 377.238 3.589 0 40 GHAB COc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)on3)nc12 9206524 FEUQFSARLAJTKJ-UHFFFAOYSA-N 380.429 3.843 0 40 GHAB C[C@@H](Sc1nnnn1-c1cccc(F)c1)c1nnc(-c2ccc(F)cc2)o1 9376567 QEYGULRFQDNKSD-SNVBAGLBSA-N 386.387 3.844 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1Cl 9590747 AKXLGNUORXZDHV-CQSZACIVSA-N 389.810 3.567 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1F)c1ccccc1 9698890 YXMBOKKMDQSQDU-UHFFFAOYSA-N 398.459 3.599 0 40 GHAB CC(C)(C)c1ccc(N(CC(=O)Nc2c(F)cccc2F)S(C)(=O)=O)cc1 10369883 MBHVIPCEHAXNKR-UHFFFAOYSA-N 396.459 3.667 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 10670189 GWGVHUGESIUQQV-UHFFFAOYSA-N 386.517 3.811 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCc1cc(=O)n2ccsc2n1 10729017 WACLZLIUWMIKPI-SECBINFHSA-N 399.255 3.574 0 40 GHAB CCOc1ncccc1C(=O)N1CCC(c2nc3ccccc3cc2N)CC1 12087836 YKXJUJFDGUJCBD-UHFFFAOYSA-N 376.460 3.631 0 40 GHAB COc1ccccc1CN(Cc1cc(OC)c2c(c1)OCO2)C[C@H]1CCCO1 12187616 LXNGLDWTWZGHMD-GOSISDBHSA-N 385.460 3.614 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)c(C)c1 12541436 XZAKQOWBFIUYIR-GOSISDBHSA-N 387.480 3.552 0 40 GHAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C 12622052 YSLSPVUQEILOPM-UHFFFAOYSA-N 390.505 3.647 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1C 12683871 HFNRGXQPXCFBCA-KRWDZBQOSA-N 382.460 3.973 0 40 GHAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(CN2CCOCC2)cc1 12814891 BJVHPIWXWSQNRI-UHFFFAOYSA-N 393.512 3.818 0 40 GHAB CC(=O)N[C@H](C(=O)OCc1csc(Nc2ccc(C)cc2)n1)C1CCCC1 12837461 PHYUUPDXMGWLBJ-SFHVURJKSA-N 387.505 3.933 0 40 GHAB O=C(NCc1ccccc1Cl)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12885357 FEHXISLNYFVIGO-ZHACJKMWSA-N 382.891 3.908 0 40 GHAB COc1cccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)c1 12940526 VNULTUYDIIJHCR-UHFFFAOYSA-N 394.543 3.639 0 40 GHAB Cc1ccccc1CN1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 13227663 AYGYBZCFVFHGCR-UHFFFAOYSA-N 375.398 3.831 0 40 GHAB Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)[nH]n2)cc1 14526307 MOKAJEPMIQRPKU-MRXNPFEDSA-N 386.459 3.799 0 40 GHAB O=C(Nc1nc(-c2ccc(I)o2)ns1)c1ccccc1 15859955 JYELSKYMRWPSOX-UHFFFAOYSA-N 397.197 3.655 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN(CC)S(=O)(=O)c1ccc(C)cc1 16162311 HXECUXIKNMIXGX-UHFFFAOYSA-N 388.533 3.769 0 40 GHAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 16308053 VQPSMCPLVKYDBI-SFHVURJKSA-N 393.443 3.517 0 40 GHAB Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1[C@H](O)CC(C)(C)C2 16740231 KYVZKVLCZIDQHJ-QGZVFWFLSA-N 386.467 3.695 0 40 GHAB CCCCNC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1 16840983 QZYJKDWGXLHOOV-UHFFFAOYSA-N 396.516 3.735 0 40 GHAB Cc1cc(NC(=O)C[C@H](C)n2nc(C)c(Cl)c2C)n(Cc2ccncc2)n1 19574569 UUFBUWLUAIRDOE-ZDUSSCGKSA-N 386.887 3.691 0 40 GHAB CNc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)ccn1 19592078 XAQKNMLLFKMCGC-VWPQPMDRSA-N 378.520 3.606 0 40 GHAB Cc1nn2c(nnc3c(=O)n(-c4ccccc4F)ccc32)c1-c1ccc(F)cc1 19962685 DYEAWEPVWHIMOR-UHFFFAOYSA-N 389.365 3.682 0 40 GHAB O=C1C[C@@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)c(F)c1 20634632 CKQFIJSMXFQITR-HXUWFJFHSA-N 384.426 3.551 0 40 GHAB CCc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)cc1 21148601 GXJRMVKTTBBUKT-JOCHJYFZSA-N 391.471 3.581 0 40 GHAB CC[C@H](NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1 22527907 CHALYMLBPDIJHM-IBGZPJMESA-N 388.533 3.645 0 40 GHAB COc1cccc(C(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)c1 23106454 KPTPOCYDLHSFJI-HSZRJFAPSA-N 390.483 3.652 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1OC 26535169 CXUQWMZBFPDLAL-UHFFFAOYSA-N 391.276 3.702 0 40 GHAB COc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N(C)C)cc1 28289382 JSVOUICCHCYESV-OAQYLSRUSA-N 384.520 3.791 0 40 GHAB Cc1nc(-c2ccc(CC(=O)NCCN3CCc4ccccc4C3)cc2)cs1 29277211 INGCIMGGHXCCEL-UHFFFAOYSA-N 391.540 3.836 0 40 GHAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1 30939744 KETZXJKYNQJCAO-UHFFFAOYSA-N 376.460 3.714 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)CC(O)=N2 31817494 NBXAZWSFWRJSDY-LBPRGKRZSA-N 389.337 3.819 0 40 GHAB CC(=O)NCc1ccc(C(=O)COc2ccc(C)cc2Br)s1 32724159 PRXPLTXCEQBOBS-UHFFFAOYSA-N 382.279 3.717 0 40 GHAB CCc1ccc2c(c1)c1nnc(SCC(=O)NC3CCCCC3)nc1n2C 35312717 BIPSRXMPWYUSHE-UHFFFAOYSA-N 383.521 3.620 0 40 GHAB O=C1NC2(CCN(Cc3ccccc3Cl)CC2)N=C1c1cccc(Cl)c1 35430858 UECPZXPJCZIQGV-UHFFFAOYSA-N 388.298 3.905 0 40 GHAB CCn1nc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1C 36614507 RAWKXYHEBPKPMD-UHFFFAOYSA-N 383.517 3.911 0 40 GHAB CCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(Br)cc3)C2=O)cc1 36635700 KSJKHVFFZXRNRN-MRXNPFEDSA-N 389.249 3.592 0 40 GHAB Cc1nnc(NC(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)s1 36704674 FPFATTOIOPGPEB-UHFFFAOYSA-N 383.405 3.900 0 40 GHAB Cc1ccc(-c2noc(Cn3nc(-c4ccc(F)cc4)ccc3=O)n2)cc1C 38652056 ZDANVVNITXMRQX-UHFFFAOYSA-N 376.391 3.765 0 40 GHAB O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)c2ccoc2)CC1 40097848 IMFVUVQHGUDOKG-UHFFFAOYSA-N 381.354 3.725 0 40 GHAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cccc(C(N)=O)c3)c12 40130574 IVWMZEUJFGUQBI-UHFFFAOYSA-N 391.475 3.723 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2oc3ccc(C)cc3c2C)c1 40179607 CRHGUVLMHYWXJH-UHFFFAOYSA-N 381.384 3.875 0 40 GHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(F)cc2)n2ncnc2N1 40484550 FUIVNXRLUQUCIA-KRWDZBQOSA-N 383.814 3.998 0 40 GHAB COc1ccccc1C(=O)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 44005398 DDYYQGZMKUXORA-UHFFFAOYSA-N 385.439 3.508 0 40 GHAB O=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccnc(Cl)c1 44532782 DWYGAAHSOCVUAR-UHFFFAOYSA-N 391.656 3.995 0 40 GHAB CN(Cc1nc(-c2ccco2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 47911351 PBVAIXKIINJLRL-XJKSGUPXSA-N 380.231 3.727 0 40 GHAB C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc2c(c1)CCC2 48359102 VRTWHGQZKSZSFF-JTQLQIEISA-N 393.306 3.756 0 40 GHAB COc1ccccc1C1(CNC(=O)Cc2cn(C)c3ccccc23)CCOCC1 49520732 PZXJPMAIJZZGCD-UHFFFAOYSA-N 392.499 3.594 0 40 GHAB Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 55149380 HXLBJTPZTCMPMA-ROUUACIJSA-N 378.428 3.853 0 40 GHAB O=C(N[C@H]1CCCCNC1=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 56977458 JFJYSHJQCBUXLT-SFHVURJKSA-N 393.418 3.546 0 40 GHAB CCc1cc(=O)n(CC(=O)N2CCCc3ccccc32)c(-c2cccc(F)c2)n1 57508084 GCCYIRGATYGYKP-UHFFFAOYSA-N 391.446 3.591 0 40 GHAB O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1cnns1 58165904 GTBHFGQXRHPMKR-UHFFFAOYSA-N 377.223 3.740 0 40 GHAB O=C1CN(c2ccccc2)C(=O)N1Cc1csc(COc2ccccc2)n1 58225966 XGKXCIJEGAIYPQ-UHFFFAOYSA-N 379.441 3.691 0 40 GHAB CC(C)c1ncc(Cl)c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)n1 58393417 INGKOWDEMSZPMU-UHFFFAOYSA-N 390.890 3.787 0 40 GHAB OCCCc1nc2ccccc2n1C[C@H](O)COc1cccc2ccccc12 59001882 BHIYCKYDIWFEPD-SFHVURJKSA-N 376.456 3.554 0 40 GHAB Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4coc(C)n4)C3)n2)c1 72363274 BXAFLGRCJJBPJT-INIZCTEOSA-N 378.432 3.894 0 40 GHAB COc1ccc(CN(Cc2ccccc2N(C)C)c2cnn(C)c2)c(OC)c1 78970092 RRZVLWKFCXMQCP-UHFFFAOYSA-N 380.492 3.710 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3cn4cc(Cl)ccc4n3)cc2)n1 84104806 SOHZJDGGMGAPGP-UHFFFAOYSA-N 393.878 3.779 0 40 GHAB CN(C)S(=O)(=O)c1cc(CN[C@@H](c2ccccc2)C2CCCCC2)co1 89319547 SFEWDYDCPJIIJN-FQEVSTJZSA-N 376.522 3.941 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@H]1CCc2nnc(C)n2C1 89562751 UYMPOQJMAMLZCJ-NHYWBVRUSA-N 399.495 3.597 0 40 GHAB Cc1ccc(Cn2nccc2NC(=O)c2cc(C3CC3)nc3onc(C)c23)o1 89656108 UYZJVKXBLNGAQR-UHFFFAOYSA-N 377.404 3.807 0 40 GHAB O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H](c1ccccc1)C1CC1 95451798 FQNBYNQCWUKTSQ-IEBWSBKVSA-N 393.405 3.755 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 95998730 SGLPHJGRADMIGM-GOSISDBHSA-N 380.492 3.867 0 40 GHAB CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1ccoc1)CC2 96036960 PRLNTGLKDITVIH-UHFFFAOYSA-N 380.467 3.719 0 40 GHAB COc1ccccc1[C@H](CNC(=O)CCc1ccccc1Br)OC 96384818 DCPBGHNYZMEOQD-SFHVURJKSA-N 392.293 3.894 0 40 GHAB CCN1C(=O)c2ccc(Cl)cc2NC12CCN(C(=O)CC(C)(C)C)CC2 108943941 IHQKXURMBBHQNA-UHFFFAOYSA-N 377.916 3.983 0 40 GHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219366092 FQXBGFZKLXYZIM-QGZVFWFLSA-N 387.476 3.803 0 40 GHAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)S1 222600870 VSUZGBJXGXKHDM-YSSFQJQWSA-N 375.501 3.916 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1F 223141970 QGHRVWHATWJZOC-HZPDHXFCSA-N 388.458 3.839 0 40 GHAB CCN(c1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1)S(C)(=O)=O 224218361 QMRDCLOKERZNEO-UHFFFAOYSA-N 394.496 3.977 0 40 GHAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)c1 224525918 QQBPYIXDTPWZFP-UXHICEINSA-N 378.501 3.914 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 224671883 VNXOABVCWKQXQC-DLBZAZTESA-N 383.488 3.925 0 40 GHAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccncc2)c1 224961813 JCGKEPGZUJRORG-UYRXBGFRSA-N 377.469 3.539 0 40 GHAB CCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC[C@@H]2C)n1 225885034 CYZRXOJHBRRHOB-HNNXBMFYSA-N 376.574 3.542 0 40 GHAB O=S(=O)(c1ccc(Cl)s1)N1CC[C@H](c2noc(-c3ccccc3)n2)C1 238840665 HTRUIIRLUHJVMF-LBPRGKRZSA-N 395.893 3.630 0 40 GHAB CCOCC[C@H]1CCOC12CCN(C(=O)c1cc(OC)ccc1Cl)CC2 247920112 XPEVZSGFBPYTOJ-HNNXBMFYSA-N 381.900 3.787 0 40 GHAB CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(CC[C@@H](C)c1ccccc1)C2 247954372 RZJOEOAPSTZYRM-VGOFRKELSA-N 378.520 3.712 0 40 GHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)[C@H]2COc3ccccc3O2)C1 252676378 WXLLVNYBSGRUEV-MBOZVWFJSA-N 396.443 3.503 0 40 GHAB C[C@]12CCCN(C(=O)c3ccnc(Cc4ccc(F)cc4)c3)[C@H]1CCCCN2 257327979 XDQPURJCVREHDR-GMAHTHKFSA-N 381.495 3.948 0 40 GHAB O=C(NC[C@](O)(c1ccoc1)c1ccco1)c1csc(-c2ccccc2)n1 390826474 MEDOBVATQNXZKA-FQEVSTJZSA-N 380.425 3.662 0 40 GHAB CCCOc1ccc(N2C[C@@H](C(=O)NCCCCc3ccccc3)CC2=O)cc1 408707860 MGUZLMYOTIVYIM-FQEVSTJZSA-N 394.515 3.967 0 40 GHAB Cn1nc(-c2ccccc2)c2c(NC(=O)[C@H]3CC[C@H](C(F)(F)F)C3)[nH]nc21 514620867 DCGRXQHFRMPZJG-RYUDHWBXSA-N 377.370 3.881 0 40 GHAB CC(C)n1cc(C2=CCCN(C(=O)Nc3nccn3-c3ccccc3)CC2)nn1 580935823 SZBRJAMRJUCXCH-UHFFFAOYSA-N 391.479 3.756 0 40 GHAB CCc1oc2ccccc2c1CC(=O)NC1(c2nnc3n2CCCC3)CCC1 585123725 BVLZHDVODDJANX-UHFFFAOYSA-N 378.476 3.661 0 40 GHAB O=C(NCCc1cccc(C(=O)O)n1)OCC1c2ccccc2-c2ccccc21 685939876 MQKZCKZFXPVCFV-UHFFFAOYSA-N 388.423 3.861 0 40 GHAB O=C(Nc1cccnc1)[C@@]1(F)CCN(c2nc3c(F)cc(F)cc3s2)C1 1888914307 QUKNLDHFNUHLLK-QGZVFWFLSA-N 378.379 3.527 0 40 GHAB COc1cccc([C@@H](NC(=O)c2ccc3ncsc3c2)c2nccn2C)c1 24017571 VBKUZDFKAOYRGQ-GOSISDBHSA-N 378.457 3.558 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN3c4ccccc4C[C@@H]3C)nc2c1 9115841 LHKXPOZYEIWBBT-HNNXBMFYSA-N 398.532 3.545 0 40 GHAB O=c1[nH]c(SCc2nc(-c3ccco3)no2)nc2sc3c(c12)CCCC3 24834399 MPAAWJKAQLBPOL-UHFFFAOYSA-N 386.458 3.799 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Cc1coc(-c2ccccc2)n1 24991207 IVTXHHOBOCRXCS-IBGZPJMESA-N 375.428 3.514 0 40 GHAB CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C12CCC(CC1)C2 3198607 CJLRJXKRCRLTDQ-UHFFFAOYSA-N 390.427 3.931 0 40 GHAB CCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 4491168 BXZHDLHALCHJHC-UHFFFAOYSA-N 384.480 3.616 0 40 GHAB O=C(CSc1nnc(Cn2cnc3ccccc32)o1)Nc1cccc(Cl)c1 4902536 FDKNGYKMEDVZGE-UHFFFAOYSA-N 399.863 3.852 0 40 GHAB Cc1ccc(OCC(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1C 6421467 LLCBQMUKNUGWIB-UHFFFAOYSA-N 397.500 3.767 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)c1ccccc1 7309660 YXHRZBSJXLGNRK-LBPRGKRZSA-N 384.295 3.540 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N(C)C)cc2)cc1 7379499 RXFPISXIQBJTLF-UHFFFAOYSA-N 398.459 3.505 0 40 GHAB CSc1nc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2s1 2653756 NCJIWBNWOAANQD-UHFFFAOYSA-N 393.515 3.777 0 40 GHAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc21 12565098 FHXNKFPPGJLJPW-LLVKDONJSA-N 375.831 3.827 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N[C@H]3CCCC[C@@H]3C)o2)cc1 10045155 ZUQCESDBUOFYDX-WMZOPIPTSA-N 384.476 3.821 0 40 GHAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1 107875720 SNPCRINHEPMZJI-MHWRWJLKSA-N 387.413 3.701 0 40 GHAB COc1ccc2nc(NC(=O)CSc3ncnc4ccccc34)sc2c1 8190507 RSPQRMGHXHRYEU-UHFFFAOYSA-N 382.470 3.979 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 8413944 NWPTUWFJIXYCLD-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB O=C(Cc1nc2ncccn2n1)Nc1ccc(Oc2cccc(Cl)c2)cc1 58201042 QYWKQKFJYOUFEG-UHFFFAOYSA-N 379.807 3.751 0 40 GHAB Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(N3CCCC3)cc2)C(C)C)cc1 10429456 KCFGVMAEZGMHAE-OAQYLSRUSA-N 379.504 3.988 0 40 GHAB Cc1nn(C)c(C)c1CCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 10817901 OGKMDNQPKVSPLU-UHFFFAOYSA-N 398.488 3.503 0 40 GHAB Cc1c(C)c2cc(Cl)c(OC(=O)CCNC(=O)OC(C)(C)C)cc2oc1=O 2375997 MXGRHUGQVBBEQV-UHFFFAOYSA-N 395.839 3.883 0 40 GHAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=S)Nc1ccc(Cl)cc1)C1CC1 100426965 IKJAYLHYGBDHES-IAGOWNOFSA-N 377.941 3.949 0 40 GHAB COc1ccc(-c2nc(C)c(C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)s2)cc1 101684342 KOFFTDZVUDRBPT-OTVXOJSOSA-N 388.489 3.748 0 40 GHAB C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1 2640733 FUUKYKHIFMYOMO-ZDUSSCGKSA-N 391.928 3.803 0 40 GHAB C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@H]4COc5ccccc5O4)cc3c2C1 2645295 QJXNXPLSWVGJIB-HOCLYGCPSA-N 376.456 3.863 0 40 GHAB CCN(C(=O)c1ccc(F)c(F)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 58438133 CFGOMGGCZDMOIL-UHFFFAOYSA-N 393.333 3.925 0 40 GHAB COc1ccc([C@H]2CCCCCN2Cc2ccc(S(=O)(=O)N(C)C)o2)cc1 47331359 MQTXQRPCVKIDAJ-LJQANCHMSA-N 392.521 3.656 0 40 GHAB COc1cc2nc(C)n(CCSCc3ccc(C)cc3)c(=O)c2cc1OC 12757119 HJIBMZAKOOSMSQ-UHFFFAOYSA-N 384.501 3.964 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(NCc2ccccc2)s1 3361350 FXMULBLGDYLHPF-HIFRSBDPSA-N 376.551 3.937 0 40 GHAB Cc1ccc(S(=O)(=O)N(CCCN(C)C)Cc2ccccc2)c(Cl)c1 48324094 VVNNTTRIPGTNBC-UHFFFAOYSA-N 380.941 3.791 0 40 GHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 20109155 CCIQEWAWHBJPJM-LJQANCHMSA-N 379.460 3.589 0 40 GHAB CC(C)[C@@H](NC(=O)Cn1nnc(-c2cccc(Cl)c2)n1)c1cccs1 12996966 KIQPLLYANUQBKX-MRXNPFEDSA-N 375.885 3.569 0 40 GHAB O=C(NCC1CCCCC1)c1ccccc1NS(=O)(=O)c1cccs1 6146899 MHKCLXOMXSEUIO-UHFFFAOYSA-N 378.519 3.859 0 40 GHAB COc1ccc(-c2nnc3sc(COc4ccc(F)cc4)nn23)cc1OC 4511719 NIWNPVJNRXAJLT-UHFFFAOYSA-N 386.408 3.588 0 40 GHAB COc1ccc(OCc2nn(CN3CCc4sccc4C3)c(=S)o2)cc1 14201672 VDMYUCRBKCCJED-UHFFFAOYSA-N 389.502 3.870 0 40 GHAB CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCc1cccc(F)c1 5561570 ZBXVUZCBILUHEJ-XLIONFOSSA-N 384.476 3.533 0 40 GHAB O=C(c1cccc2c1OCO2)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66708295 YJFHLDKDYFJGMW-INIZCTEOSA-N 380.227 3.936 0 40 GHAB CCN(CC)c1ccc(NC(=O)CSc2nncn2-c2ccccc2)cc1 6831602 OMWAWQDZNLKTBK-UHFFFAOYSA-N 381.505 3.844 0 40 GHAB Cc1nc2nc(-c3ccccc3)nn2c(N2CCOCC2)c1Cc1ccccc1 4999396 HEXHZCVISCAURV-UHFFFAOYSA-N 385.471 3.527 0 40 GHAB CCN1C(=O)S/C(=C\c2cc(Br)c(Br)o2)C1=O 408949851 CNKPTKFWNQOLOZ-DAXSKMNVSA-N 381.045 3.861 0 40 GHAB CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccccc1 7037493 QOJKYHUZEDJTBW-HXUWFJFHSA-N 388.533 3.988 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)NC1CCCCC1 7478611 OBVKAIYFBCLNSU-AWEZNQCLSA-N 389.883 3.828 0 40 GHAB CN(C)C(=O)[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccccc1 7617196 OEKAYFJYKKFBKK-QGZVFWFLSA-N 379.489 3.597 0 40 GHAB CCOC(=O)[C@H](NC(=O)c1ccccc1F)c1c(C)nn(-c2ccccc2)c1C 7984540 UBNYOSJMGTXGOH-HXUWFJFHSA-N 395.434 3.662 0 40 GHAB CC(C)Oc1cccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 8041108 WTDOSCUUYAZLGS-UHFFFAOYSA-N 390.505 3.659 0 40 GHAB C[C@@H]1Oc2c(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cccc2[C@@H]1C 8267394 SYLRVFVCXBHGQR-CABCVRRESA-N 391.471 3.691 0 40 GHAB O=C(c1csc(Cc2ccccc2)n1)N1CCN(C(=O)C2CCCCC2)CC1 69397218 GTMFTOAUBOVMGX-UHFFFAOYSA-N 397.544 3.599 0 40 GHAB CCCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1Br 8714706 HVQDZFOJWYZIES-UHFFFAOYSA-N 384.295 3.716 0 40 GHAB COc1cccc(NC2CCN(C(=O)c3cc(Br)c[nH]3)CC2)c1 89470249 WFOXWHJDXQBPPM-UHFFFAOYSA-N 378.270 3.503 0 40 GHAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)N[C@H]1C[C@H]2CC[C@H]1C2 408583570 VLYXFARRYBFRSQ-YKSIXARASA-N 387.549 3.934 0 40 GHAB Cc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1Cl 20236888 AZKKHJFRGGNGAA-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB Cc1cc(C)c(OCC(=O)N2N=C3[C@H](C)CCC[C@H]3[C@]2(O)C(F)(F)F)c(C)c1 409179766 NQMSSJSJKABNBS-PEELUZDISA-N 398.425 3.876 0 40 GHAB COC(=O)CCCNC(=O)/C=C/c1ccc(OCc2ccc(C)c(OC)c2)cc1 62715728 FAUMFLFTFGKYDR-JLHYYAGUSA-N 397.471 3.665 0 40 GHAB Cc1nc(C(=O)N2Cc3cn(-c4ccccc4)nc3-c3ccn(C)c3C2)cs1 306128343 GXXSIKCRTGNZLR-UHFFFAOYSA-N 389.484 3.799 0 40 GHAB Cc1nonc1NC(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1 35289686 KUVVGRYHGIFJSG-UHFFFAOYSA-N 397.435 3.646 0 40 GHAB COCCNc1ccc(-c2noc([C@@H]3CCCN3CC3CCCCC3)n2)cn1 35425167 KZBZRIXACVCVDC-SFHVURJKSA-N 385.512 3.907 0 40 GHAB biogenic,in-vitro Cc1ccccc1-c1nc(=NC2CCN([C@H](C)c3ccncc3)CC2)s[nH]1 527934009 JYJAKLHRNCGNGO-MRXNPFEDSA-N 379.533 3.968 0 40 GHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC)c(OC)c1OC 30852622 MFXNULUVZGQFCJ-MRXNPFEDSA-N 393.867 3.840 0 40 GHAB Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1C 38725165 ZOODUJMNJQEGRJ-UHFFFAOYSA-N 395.406 3.822 0 40 GHAB COCCOc1cc(-c2noc([C@@H]3CCCN3Cc3cccs3)n2)ccn1 35424817 LMOJQLBTSXOMIO-INIZCTEOSA-N 386.477 3.555 0 40 GHAB biogenic,in-vitro CCCc1nc(NCc2ccccc2OC)c2nnn(Cc3ccccc3)c2n1 35315924 RLGUIRJPHDTPPA-UHFFFAOYSA-N 388.475 3.843 0 40 GHAB CCOc1ccc2nc(NS(=O)(=O)c3ccc(C)cc3OC)sc2c1 72414470 XQPMDNAZASUCDJ-UHFFFAOYSA-N 378.475 3.813 0 40 GHAB COc1cc(OC)cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 218897864 FXXDGQMEYMNNHB-LJQANCHMSA-N 385.460 3.810 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1F 225009189 MGHFFJKYPPQZQJ-DLBZAZTESA-N 386.467 3.537 0 40 GHAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 222789660 DFTBNXGAGGXMQU-OAQYLSRUSA-N 384.495 3.948 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220557363 RXMLLNZGZDYFOH-XLIONFOSSA-N 388.533 3.725 0 40 GHAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(C(=O)N(C)C)cc1 225705435 UNSVTLRDAYHSLZ-LJQANCHMSA-N 383.517 3.761 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccccc1 225399488 VECDPKUVLSOPSV-MRXNPFEDSA-N 388.895 3.662 0 40 GHAB COc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1-c1ccc(C(=O)O)o1 226352809 NDRLBKOHLMTRIL-UHFFFAOYSA-N 387.413 3.763 0 40 GHAB COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)Nc2cccc(OC)c2)c1 141623837 SBXLHOXIAJLQSU-VUEDXXQZSA-N 392.455 3.719 0 40 GHAB Cc1cc(-c2cccc(C(=O)O)c2)nc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257227624 FQENENDJTUHSLI-QGZVFWFLSA-N 381.476 3.902 0 40 GHAB CCn1c(=NC(=O)Cc2ccc(C)c(C)c2)sc2cc3c(cc21)OCCO3 252427063 ULFWNTCWLNGGIL-UHFFFAOYSA-N 382.485 3.781 0 40 GHAB CCc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 260813015 OIIFAQAYIBVZEG-IRXDYDNUSA-N 388.533 3.589 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c2cc(Br)ccc2n1 590726594 FVZQUELZBXHESO-OAHLLOKOSA-N 399.292 3.980 0 40 GHAB O=C(c1cccc(N2CCCC2)c1)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 614453886 DAIFNQMFFKHZPN-OAQYLSRUSA-N 389.499 3.852 0 40 GHAB CC(C)[C@H](NCCCn1c(O)nc2ccccc21)c1ccc2c(c1)OCCO2 1645125004 PGRXFQLSGJHFOO-NRFANRHFSA-N 381.476 3.890 0 40 GHAB Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CCN(CC(F)(F)F)c2ccccc21 667958651 PRQZFHLOTCUFNI-MAUKXSAKSA-N 394.441 3.777 0 40 GHAB CO[C@H](CNC(=O)N[C@H]1CCCc2nc(O)ccc21)c1ccccc1Cl 675711168 OYEZOOMUDLXRKO-DLBZAZTESA-N 375.856 3.505 0 40 GHAB CSc1ccc(CN(C)C(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1 46059537 UCJSFFVNLWHIKB-HXUWFJFHSA-N 388.508 3.580 0 40 GHAB COc1ccc(CNCc2cccc(NC(=O)c3ccncc3)c2)cc1OC 55171898 PUPUISZPJDZFGG-UHFFFAOYSA-N 377.444 3.641 0 40 GHAB COc1ccc(C2=N/C(=C/c3ccc(OC(=O)C(C)C)c(OC)c3)C(=O)O2)cc1 5000720 FSFAIJZVQHHJRQ-GZTJUZNOSA-N 395.411 3.610 0 40 GHAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 5898261 MJSGMGXFWNSYTF-UHFFFAOYSA-N 377.868 3.873 0 40 GHAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](NC(=O)Cc2ccsc2)C1 12221097 CIJMFPJTEHOCCM-QGZVFWFLSA-N 378.501 3.973 0 40 GHAB CC(C)CN(C(=O)/C=C/c1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 12756488 LVARAUZUQOOVGE-PSKZRQQASA-N 390.332 3.678 0 40 GHAB O=C(CN1CSCC1=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 12766934 GNJBUGWJPRBIOZ-UHFFFAOYSA-N 385.470 3.560 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)cc1 13676357 ASAHCRRZSDPRLS-HNNXBMFYSA-N 393.505 3.922 0 40 GHAB COc1ccc(CCNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 17155170 DWQHSNSWEZQGAI-UHFFFAOYSA-N 385.851 3.690 0 40 GHAB Cc1cnccc1-c1cn(C)nc1[C@@H]1CCCN1C(=O)Cc1ccc(F)cc1 19239673 GOEHFDLPPZZLLW-FQEVSTJZSA-N 378.451 3.836 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)[C@H](C)Cn3c(C)nc4ccccc43)ccc21 19286745 PSBXUTQMJGYDLP-CQSZACIVSA-N 376.460 3.529 0 40 GHAB CC(C)(C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 4965816 ILQFRIYKDMYQOG-UHFFFAOYSA-N 382.869 3.831 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1 5999267 FFBSHMHPCTYEIU-FZMZJTMJSA-N 394.928 3.921 0 40 GHAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCc3sccc3C2)CC1 10923212 MVWRFWRVVZSGCT-VOTSOKGWSA-N 380.513 3.585 0 40 GHAB Cc1ccc(CN2C(=O)CC[C@@]23CCCN(Cc2cc(C)nn2C)CC3)cc1 1565541743 TYGBZIGMIICSFH-HSZRJFAPSA-N 380.536 3.584 0 40 GHAB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccccc3Cl)co2)n1 4377248 JTSZWZYKKWYLHY-UHFFFAOYSA-N 388.832 3.903 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)s1 5083992 WPLOOJGQYNVQDE-UHFFFAOYSA-N 377.516 3.827 0 40 GHAB Cc1nc2cccc(C)n2c(=O)c1NC(=O)COc1ccc(Cl)cc1Cl 9617103 ARRIWPNYEXAHII-UHFFFAOYSA-N 392.242 3.636 0 40 GHAB CCn1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2ccc(C)nc21 15351357 PFITWWDSLWLARC-UHFFFAOYSA-N 386.249 3.740 0 40 GHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](n2cnc3ccccc32)C1 575617849 RSPQDPSNXZWCJQ-QFBILLFUSA-N 398.507 3.599 0 40 GHAB Clc1cnc(N2CCC[C@@H](COc3cnccn3)C2)c(Br)c1 2298109316 FVCKSJCLUORHFF-LLVKDONJSA-N 383.677 3.583 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccncc2)nc2ccccc12 29350088 LZZALOIKHBQBDI-HUUCEWRRSA-N 377.444 3.757 0 40 GHAB CSc1ncccc1C(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 40009948 QYSUMSRUURPLFZ-UHFFFAOYSA-N 381.457 3.678 0 40 GHAB COC(=O)C[C@H](NC(=O)c1ccc(-n2cc[nH]c2=S)cc1)c1ccc(C)cc1 40119574 CIVVJFIDLADWGV-SFHVURJKSA-N 395.484 3.878 0 40 GHAB CSc1nccn1-c1cccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 40135758 WKHQUXQPOKQQND-LBPRGKRZSA-N 394.456 3.566 0 40 GHAB Cc1nc(NC(=O)c2cc3c(s2)CCCCC3)sc1SCC(N)=O 31798606 JDJADCHEFMTUJE-UHFFFAOYSA-N 381.548 3.612 0 40 GHAB CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 102148754 FQPIQBBNHVDAOV-IUSZMWJPSA-N 379.545 3.900 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)COc1ccccc1C(F)(F)F)OCO2 32854442 SVAOPLQBNVTNJW-UHFFFAOYSA-N 381.306 3.654 0 40 GHAB CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102623407 NWQUJZSEJQHILX-LVNJIZSUSA-N 386.451 3.813 0 40 GHAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 32909581 PKGFIFWBZBZNQS-NHCUHLMSSA-N 395.503 3.900 0 40 GHAB COc1ccc(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2Br)cc1 668027 GLYJELLAALRDMJ-NSHDSACASA-N 394.265 3.966 0 40 GHAB CCOC(=O)c1cc2cc3c(cc2nc1COc1ccc(OC)cc1)OCO3 632303 MEQZYAQCXWAXLD-UHFFFAOYSA-N 381.384 3.728 0 40 GHAB C[C@H](NC(=O)[C@H](C)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 22790177 CFQZUFSGKYLOHN-LPJJAHQCSA-N 377.532 3.583 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1OC 104121335 FXMCUCYXLOMDPO-WBTNSWJXSA-N 399.491 3.627 0 40 GHAB Cc1nn(CN2CCN([C@H](C)c3nc4ccccc4s3)CC2)c(=S)s1 22934837 DBKZUIFTQCJGJG-GFCCVEGCSA-N 391.591 3.929 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)cc1 691902 QAORJIBGIJOKRZ-UHFFFAOYSA-N 393.472 3.646 0 40 GHAB CCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 790061 KUMBZZBJHIEUTA-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB O=C(CCC1CCCC1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 783003 IUSCEYALHFTQTR-UHFFFAOYSA-N 383.580 3.766 0 40 GHAB Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n(-c2ccccc2)n1 869846 HSOJPCOXPFHWMD-UHFFFAOYSA-N 389.381 3.523 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1Cl 1363568 RURMOQFCOVONPG-OAHLLOKOSA-N 392.908 3.688 0 40 GHAB COc1ccccc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)N(C)C 1367121 RKUMVUMTHGHORF-UHFFFAOYSA-N 379.460 3.529 0 40 GHAB O=C(NC1CCCC1)[C@H](c1ccco1)N(Cc1ccco1)C(=O)c1ccco1 1382750 GYELYCKFRYIYLY-IBGZPJMESA-N 382.416 3.908 0 40 GHAB CCc1ccc(Cl)c(CC)c1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 9153926 WBNVDGFVAGFZAZ-UHFFFAOYSA-N 391.899 3.658 0 40 GHAB CCc1cc(=O)oc2cc(OCC(=O)N[C@H](C)CCc3ccccc3)ccc12 3579185 FWMQOTJMKZMFHH-MRXNPFEDSA-N 379.456 3.872 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc3ncccc3c2)n2ncnc2N1 1467346 YVKYLQYQYCAWFJ-HXUWFJFHSA-N 382.427 3.754 0 40 GHAB CC(C)[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)NC(N)=O 4588389 WRKVRJDZZLLDLP-KRWDZBQOSA-N 398.463 3.748 0 40 GHAB Cc1ccc(NC(=O)COc2ccc(I)cc2)cc1C 7034748 XTQRGKLOUWATHO-UHFFFAOYSA-N 381.213 3.926 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 7872028 OXEPQCDWGZVECT-LBPRGKRZSA-N 384.860 3.581 0 40 GHAB Cc1cc(CS(=O)(=O)c2nc(C)c(C)n2[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)no1 108068219 TWBMOZBCAQOWGF-CVYDXHPNSA-N 377.510 3.767 0 40 GHAB Cc1ccc(Nc2nc(N)nc(CN(C)Cc3nc4ccccc4s3)n2)cc1 12554631 LQWGTRBAFMEYFK-UHFFFAOYSA-N 391.504 3.748 0 40 GHAB Cc1cc(C)c2cc(CN(CCO)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 8716769 MVWGWZINKBTODU-UHFFFAOYSA-N 399.878 3.825 0 40 GHAB CC1(C)CC(=O)c2sc(NC(=O)[C@H]3CC(c4cccc(F)c4)=NO3)nc2C1 44742609 USJVWBWCYCYOSK-OAHLLOKOSA-N 387.436 3.569 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(CCOc2ccccc2)c2ccccc21)c1ccccc1 8991357 INYDRTVBGZIIFU-DEOSSOPVSA-N 387.435 3.573 0 40 GHAB O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1ccc(Br)cc1Cl 58201249 KCJZVWFMAZFLSP-UHFFFAOYSA-N 378.613 3.591 0 40 GHAB CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(C)n1 12551077 IOWISPHHAYEZMR-CQSZACIVSA-N 395.532 3.811 0 40 GHAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cccc(N2CCCS2(=O)=O)c1 9810600 MBSLQHXPLFQRHI-UHFFFAOYSA-N 392.480 3.731 0 40 GHAB CCOc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1OC 28320701 BCSHBWIRHYFYNY-KRWDZBQOSA-N 383.444 3.842 0 40 GHAB COc1ccc2cc(CNC(=O)CNC(=O)c3ccc(C)c(C)c3)ccc2c1 11125641 REBKSSYSLUHHCW-UHFFFAOYSA-N 376.456 3.511 0 40 GHAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC1CCCCC1 11118322 XVYSQQFSBGWYEW-UHFFFAOYSA-N 398.528 3.874 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@H]1[C@H]4c5ccccc5[C@H]1C[C@H]43)C2 104293740 JVGVRUMDARERFS-KSJUTADJSA-N 377.488 3.579 0 40 GHAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(Br)cc1F 2733034 YYNMSCAEUDPAAO-UHFFFAOYSA-N 398.213 3.962 0 40 GHAB Cc1nn(Cc2ccc(C(=O)N3CCCC[C@@H]3C)o2)c(C)c1Br 2778937 QZYZMHNJOAMVSH-NSHDSACASA-N 380.286 3.918 0 40 GHAB Cc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1 22255782 SXOMOAUYMLOAKR-IBGZPJMESA-N 390.487 3.886 0 40 GHAB CCCCCOc1ccc(/C=C2/N=C(S)N(c3cn(C)nc3C)C2=O)cc1 2805257 FOPALLYJEXJJEB-SFQUDFHCSA-N 384.505 3.971 0 40 GHAB COc1ccc(Br)cc1CN1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 103816939 HZIUADIWXDMZDB-IIDMSEBBSA-N 379.342 3.764 0 40 GHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@H]1[C@H]4c5ccccc5[C@H]1C[C@H]43)C2 104293731 JVGVRUMDARERFS-NMHIOLNQSA-N 377.488 3.579 0 40 GHAB CN1C(=O)c2ccc(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc2C1=O 12751423 JEQNLMXTSSTJCL-UHFFFAOYSA-N 399.378 3.566 0 40 GHAB O=C(Cn1nnc2ccccc21)N[C@H](c1ccc2c(c1)CCC2)c1cccs1 12771779 MJXPGJKXYSCKLM-JOCHJYFZSA-N 388.496 3.887 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N(C)Cc2ccccc2F)c1 12795370 SGGXWWUELLPWLD-FQEVSTJZSA-N 386.467 3.638 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 10039294 QTGUFWBVPQENHF-LLVKDONJSA-N 387.288 3.607 0 40 GHAB CCC[C@H](C)NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 10324154 JIULJOPIBMZDHC-KRWDZBQOSA-N 388.533 3.880 0 40 GHAB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2F)cc1OCC 10544006 QFTBYAUUGRWDRM-CQSZACIVSA-N 381.469 3.804 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc3ccccc23)ccc1O 3432460 JZHBKOSRSDLZRK-ZRDIBKRKSA-N 377.396 3.749 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cnc3c(cnn3C(C)C)c2)c(C)c1 12906873 IUXSSBYESYKGFT-UHFFFAOYSA-N 393.491 3.648 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)ccc1Br 13345800 DZXNPQODSJHSIQ-RUDMXATFSA-N 396.262 3.656 0 40 GHAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 4042282 CUCMLWNLPHIIEQ-UHFFFAOYSA-N 398.418 3.527 0 40 GHAB COc1ccc(C(=O)N[C@H](CCSC)C(=O)Nc2ccccc2Cl)cc1 9219347 ZHMAIDMOLRYAFC-QGZVFWFLSA-N 392.908 3.839 0 40 GHAB COCCCNc1nc2sc3c(c2c2nc(-c4ccccc4)nn12)CCC3 13734380 YZGRYCJIVPPQLY-UHFFFAOYSA-N 379.489 3.943 0 40 GHAB C[C@@H]1SC(NCc2ccc3c(c2)OCO3)=NN=C1c1c[nH]c2ccccc12 9217551 SREHFHSYINRJIZ-LBPRGKRZSA-N 378.457 3.882 0 40 GHAB COC(=O)c1c(NC(=O)CCC(=O)O)sc(C)c1-c1ccc(Cl)cc1 6184229 BCFKKWOYZIAKAY-UHFFFAOYSA-N 381.837 3.967 0 40 GHAB COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2ncnn21 4373481 ORKPEUBGNFMMMU-LJQANCHMSA-N 375.432 3.523 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1Cl 6328751 JBIVCNQIVBHHPV-CJNGLKHVSA-N 386.945 3.679 0 40 GHAB O=C(C[C@H](NCCc1ccccc1)C(=O)O)Nc1ccc(Cl)cc1Cl 6344183 SAMBHSZYVWABQN-INIZCTEOSA-N 381.259 3.608 0 40 GHAB O=C(Nc1ccccc1N1CCCC1=O)c1cc(Br)ccc1F 22748397 XXTGBAKDCWHNHF-UHFFFAOYSA-N 377.213 3.967 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)C1 14361516 BTIZOWQEVBRTHP-CALCHBBNSA-N 379.456 3.579 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnc4n3CCCCC4)c2C)no1 6579992 CHVLEZLEQVPLLB-UHFFFAOYSA-N 385.493 3.683 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccccc1C(=O)NCc1ccccc1 6638084 ZZPFKMFXHAMLEG-YLJYHZDGSA-N 380.488 3.690 0 40 GHAB CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 6657466 HHZKBGVHKUCWMF-KBXCAEBGSA-N 379.464 3.586 0 40 GHAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NCc1ccc(CN2CCCC2)cc1 7437405 AAIHCKXCDZFLIP-OUKQBFOZSA-N 386.499 3.798 0 40 GHAB COC(=O)[C@H](OC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1ccccc1 23224068 SPMZJVQOSYDSBU-LJQANCHMSA-N 393.443 3.961 0 40 GHAB Cc1ccc(OCc2nc(C(=O)O[C@H](C)C(=O)NC3CCCC3)cs2)cc1 16160071 WTAZBZWXKMBUBL-CQSZACIVSA-N 388.489 3.635 0 40 GHAB Cc1cccn2c(=O)cc(CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc12 7989127 YVPNBDBEUQKYQG-IBGZPJMESA-N 391.471 3.501 0 40 GHAB Cc1ccc(-c2nnc(NC(=O)COc3ccc(Br)cc3)[nH]2)cc1 8117086 GMMPITGCDYXVLU-UHFFFAOYSA-N 387.237 3.560 0 40 GHAB CCCCCCn1c(=S)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c1=O 17198153 IIELFSNHXNFQIU-SFHVURJKSA-N 398.532 3.908 0 40 GHAB biogenic Cc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 19946314 GGVXPUGQGQIXCS-UHFFFAOYSA-N 386.517 3.558 0 40 GHAB COc1ccc(OCCCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 8882686 NMUNXPOSJYSBPB-IBGZPJMESA-N 388.533 3.869 0 40 GHAB O=C(NC[C@]1(CCO)CCOC1)c1ccccc1-c1ncc(-c2ccccc2)o1 84563074 TVBMOIRVNJDIBO-QHCPKHFHSA-N 392.455 3.528 0 40 GHAB Cc1cccc(-n2ccnc2SCC(=O)N2CCc3ccc(O)cc3C2)c1C 95356886 VQEREKPPEFRDOS-UHFFFAOYSA-N 393.512 3.872 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)c(OC)c1 409411693 ZIXMJOJLYRDNRI-CYBMUJFWSA-N 376.412 3.844 0 40 GHAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c(C)c1 408628376 SCHLLSUKTKNPEX-UHFFFAOYSA-N 399.516 3.739 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)cc2)C1=O 409011664 OBUWKWYNUGSDCN-IGDPJRHMSA-N 377.462 3.852 0 40 GHAB CCc1nc(C(C)C)ccc1CN1C(=O)N[C@]2(CCc3ccc(OC)cc32)C1=O 555036031 IQXVGINRXSBZEF-QHCPKHFHSA-N 393.487 3.670 0 40 GHAB O=C(NCCn1c(O)nc2ccccc21)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 507603737 WLYKNVJMGJIWGX-RTBURBONSA-N 388.471 3.772 0 40 GHAB CCOc1ccccc1NC(=O)CN1CCC(n2cnc3cc(F)ccc32)CC1 35315963 IAQVKWBFKOIRQJ-UHFFFAOYSA-N 396.466 3.850 0 40 GHAB Cc1cccc(Nc2ccc([C@@H]3CCCN3C(=O)CCc3nc(C)no3)nc2)n1 72353228 NAXRJRGJHAWSMT-SFHVURJKSA-N 392.463 3.516 0 40 GHAB CCOc1ccc(NC(=O)CSCc2cc(=O)c3cccc(OC)c3[nH]2)cc1 33064253 FVVVCVBKACEYDN-UHFFFAOYSA-N 398.484 3.807 0 40 GHAB CCOC(=O)c1c(NC(=O)CN2CCc3ccccc3C2)sc2c1CCCC2 34657358 TZPLPXGWPMUUOV-UHFFFAOYSA-N 398.528 3.800 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc(S(C)(=O)=O)cc1 219551845 XMNLSBIHPFIBCJ-OXJNMPFZSA-N 389.517 3.742 0 40 GHAB COC(=O)c1cc(S(=O)(=O)NCCSc2ccc(C)cc2)ccc1Cl 222836184 VXZFLLSPFYTYJN-UHFFFAOYSA-N 399.921 3.506 0 40 GHAB CCO[C@@]1(C(=O)Nc2ccc(OCC(=O)N3CCCC3)cc2)CCC[C@@H](C)C1 225713861 RZOFRZNWRZJGEK-VGSWGCGISA-N 388.508 3.612 0 40 GHAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)c1 224855043 JAXGKBDJDVRRKM-UXHICEINSA-N 394.500 3.614 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222652910 RZCYZYFYJWBWNW-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2cc(Cl)cc(Cl)c2)cc1OC 224800899 MBVMBKXEPYHWJR-UHFFFAOYSA-N 376.261 3.836 0 40 GHAB Cc1cccc(N2CCN(C(=O)CCc3nc(-c4ccccc4)no3)CC2)c1C 41184234 FPSQDLZSFQQPPF-UHFFFAOYSA-N 390.487 3.635 0 40 GHAB O=C(NCCC1CCCCCC1)c1ccc(N2CCCCS2(=O)=O)cc1 224381657 GDVALTJHLMZMFH-UHFFFAOYSA-N 378.538 3.707 0 40 GHAB COc1ccc(OC)c(CN(Cc2nc(Cc3ccccc3)no2)C2CC2)c1 48313385 CASWCFLAXGEMLR-UHFFFAOYSA-N 379.460 3.842 0 40 GHAB CC(C)CCCCCCNC(=O)NCc1ccccc1CN1CCOCC1 48149728 OSMVIPNTQNRJTO-UHFFFAOYSA-N 375.557 3.925 0 40 GHAB Cc1cc(S(=O)(=O)NCc2ccc3ccccc3c2)ccc1N1CCCC1=O 222791226 FWABDUSOVQUXGN-UHFFFAOYSA-N 394.496 3.754 0 40 GHAB O=C(NCc1ccncc1)Nc1ccc(Br)cc1Br 43317071 MBMRBQKYPRSWHG-UHFFFAOYSA-N 385.059 3.928 0 40 GHAB COc1ccc(CN(CCCn2ccnc2)Cc2nc3ccccc3[nH]2)cc1 43277702 ZSHMOCSPBFSLCE-UHFFFAOYSA-N 375.476 3.861 0 40 GHAB CC(C)n1c(=O)sc2cc(NC(=O)CCc3ccc4c(c3)OCO4)ccc21 225175607 HTQGPJQGQAJMHM-UHFFFAOYSA-N 384.457 3.944 0 40 GHAB COc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1cc(C)c(OC)cc1C 223992096 LWOZFIAFHUGZFF-GOSISDBHSA-N 375.490 3.677 0 40 GHAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccsc3)CC2)Oc2ccccc21 96053173 GXFNVRBTHBWDST-QGZVFWFLSA-N 398.528 3.768 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21CC(=O)c2ccccc2O1 248256939 ORISSLNKJICDTB-PKRQBVTJSA-N 391.467 3.933 0 40 GHAB CCOCC[C@H]1CCOC12CCN(C(=O)COc1cccc(Cl)c1)CC2 253385572 TVXVJFREOCFPMU-INIZCTEOSA-N 381.900 3.543 0 40 GHAB O=C(N[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 32099097 CGUNSQHMOYCPJU-HLNGLMCHSA-N 375.424 3.800 0 40 GHAB CO[C@@H](C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)[C@H]1CCOC1 612755742 MEQQBXBSRYPAJL-KPZWWZAWSA-N 384.457 3.659 0 40 GHAB COc1ccc2nc(N3CCN(Cc4ccc(OC)c(F)c4)CC3)ccc2c1 613366741 OKEBTTVZSPTTNR-UHFFFAOYSA-N 381.451 3.713 0 40 GHAB O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1ccccc1CCC(F)(F)F 623002330 SJTAITPMINXUDH-QGZVFWFLSA-N 397.418 3.581 0 40 GHAB C[C@H](c1ccccc1)[C@H](O)CNS(=O)(=O)c1cc2cc(Cl)ccc2s1 1663308988 NZOSWEFAKRWWEN-MLGOLLRUSA-N 395.933 3.998 0 40 GHAB COc1cc(NC(=O)N2CCC[C@H](N3CCCC3=O)CC2)ccc1C(F)(F)F 669386595 HIMVVUVFQWYSRC-AWEZNQCLSA-N 399.413 3.723 0 40 GHAB Cc1ccc(-c2nc(C(=O)N3CCC[C@H](c4ccnc(N)n4)C3)cs2)c(C)c1 671825729 CUZZVBRBHWMBMW-HNNXBMFYSA-N 393.516 3.819 0 40 GHAB C[C@H]1CCCCN1Cc1ccc(CNC(=O)c2cccc3nc(O)[nH]c23)cc1 561145060 WJZOODTULVNAAH-HNNXBMFYSA-N 378.476 3.573 0 40 GHAB COc1ccc(Br)c(C(=O)NC2(c3cccs3)CCOCC2)c1 390829021 WAVGOKKWOQUUIE-UHFFFAOYSA-N 396.306 3.955 0 40 GHAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc(Cl)c1 16959470 AGPZQCBEIDWMPB-UHFFFAOYSA-N 392.908 3.696 0 40 GHAB COc1c(C)cccc1CN1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615160126 YOANUGHHMWXHLT-UHFFFAOYSA-N 398.478 3.541 0 40 GHAB O=C(c1cccs1)N1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 11695267 ZGAHZPQBXTZBNF-UHFFFAOYSA-N 384.892 3.821 0 40 GHAB COc1ccc2[nH]cc([C@@H]3CCC[C@H](NC(=O)CCn4ccc(C)n4)C3)c2c1 12671103 JGGKWZPMVHZDEO-SJORKVTESA-N 380.492 3.914 0 40 GHAB CSc1nc2nc(C)c(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(C)n2n1 12899106 WPUSSKSMWQLJRB-UHFFFAOYSA-N 396.303 3.951 0 40 GHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C)C3)c2)cc1 15419478 NRNQZMQEWITLGN-KRWDZBQOSA-N 386.517 3.692 0 40 GHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccco3)c2)c1 17791348 MNZRBBXQCYDQIA-UHFFFAOYSA-N 384.457 3.661 0 40 GHAB O=C(c1ccccc1)[C@@H]([C@H](c1ccccc1)N1CCOCC1)N1CCCCC1 19365931 XQNGBFJNJXVYJR-XZOQPEGZSA-N 378.516 3.797 0 40 GHAB Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)c2ccccc2)c1C 19558508 GFKFBUTZJPMVDO-SFHVURJKSA-N 391.475 3.792 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccc(C)c(C)c2)cc1 19946949 QTXAPEDYHVKWJW-UHFFFAOYSA-N 388.533 3.579 0 40 GHAB CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@@H]1CCC(=O)c2cccn21 560719681 LDWPGGXANCKKIY-INIZCTEOSA-N 380.366 3.605 0 40 GHAB Cc1ncc(CN2CC=CC[C@@]3(C(=O)NCc4ccc(F)cc4)CCC[C@@H]23)cn1 19287200 KLXZWZDZIFFGCW-FYYLOGMGSA-N 394.494 3.541 0 40 GHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(C(F)(F)F)cc1 15403242 FFUPKSRBPSMWJI-UHFFFAOYSA-N 384.423 3.518 0 40 GHAB COc1ccc(C)cc1CC(=O)N1CCC(O)(COc2ccc(C)c(C)c2)CC1 2037916161 RQUBGBUCXKTDTG-UHFFFAOYSA-N 397.515 3.595 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)c1 4305200 CQJSLPVRSSTFPW-FQEVSTJZSA-N 396.512 3.979 0 40 GHAB O=C(NC[C@H](c1ccco1)S(=O)(=O)c1cccs1)OCc1ccccc1 4519324 LOTKFDNZCFBTGI-MRXNPFEDSA-N 391.470 3.783 0 40 GHAB CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(C)s3)ccc21 9166352 YELUADFCSYOGJJ-UHFFFAOYSA-N 394.518 3.629 0 40 GHAB Cc1ccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)C(C)C)cc1 10233929 GTIXJTFKBRMTEJ-HXUWFJFHSA-N 399.516 3.700 0 40 GHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(F)c(F)c3)cc21 17286568 WBXMEJGZTRZUEQ-UHFFFAOYSA-N 394.443 3.710 0 40 GHAB COc1ccc(NC(=O)CCn2cnc3c([nH]c4ccccc43)c2=O)cc1Cl 35423851 DPLCZCLQFOMNTB-UHFFFAOYSA-N 396.834 3.569 0 40 GHAB NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2F)s1 12442850 QUJIXSKBAINOFM-UHFFFAOYSA-N 387.461 3.779 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1nncn1-c1ccccc1 40088245 QUVZOVHQWZSNFX-GFCCVEGCSA-N 391.258 3.658 0 40 GHAB CC(=O)Nc1ccc(F)c(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)c1 40132783 QAFMSNNADJRHSD-UHFFFAOYSA-N 398.413 3.907 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(N2CCCC2=O)c(Cl)c1 31028547 SVANQTLSYHYTTI-UHFFFAOYSA-N 387.823 3.517 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C 100587143 WCSSUTKCUJMPJZ-YUNKPMOVSA-N 384.505 3.786 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1cccc(Cn2ccnc2)c1 31779313 JQPBGOVNROWKGI-UHFFFAOYSA-N 386.249 3.711 0 40 GHAB O=C1Nc2ccccc2[C@@]12CC(O)=Nc1c2cnn1Cc1ccccc1Cl 32093948 RREPZQYRGNBGMY-HXUWFJFHSA-N 378.819 3.815 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCc2ccccc21 32755256 MVYRRRTWLGZEGH-HXUWFJFHSA-N 384.501 3.530 0 40 GHAB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccc(=O)[nH]c1 32903365 ZFDYKAIBDMEABK-UHFFFAOYSA-N 380.256 3.981 0 40 GHAB C[C@@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc2ccccc2c1 102876088 FIELINNQUIMLND-YSGRDPCXSA-N 378.472 3.582 0 40 GHAB CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)OCCO2 102973460 HVCUIKDJLCMHDS-UHFFFAOYSA-N 379.416 3.685 0 40 GHAB O=C(O)c1cccc2c(CN3CCN(C/C=C/c4ccccc4)CC3)c[nH]c12 22027572 NGDPMIUIPIVULL-VMPITWQZSA-N 375.472 3.697 0 40 GHAB CCOC(=O)NCCC(=O)N[C@@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 53261464 KSPFCYXCEYAKLY-HNNXBMFYSA-N 398.463 3.644 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)c1cnc2c(cnn2Cc2ccccc2)c1 22461358 IFTRCTPBKBDWAT-UHFFFAOYSA-N 386.411 3.503 0 40 GHAB Cc1nc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)ccc1Br 679775 RCLRWKYDODIHDU-UHFFFAOYSA-N 392.644 3.639 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 105117905 UVUZUUSVNRUEJB-PBWTXFEYSA-N 392.565 3.721 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc3c(c2)CCC(=O)N3)c1 24538176 TWYDJFVHQHKAMM-LJQANCHMSA-N 380.444 3.566 0 40 GHAB CCc1cccc(C)c1NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 982712 JHYRWLIBVYKBAG-UHFFFAOYSA-N 380.897 3.616 0 40 GHAB C[C@@]1(C(=O)NCc2nc3ccccc3s2)CCCN(C(=O)c2ccccc2)C1 78876956 DYDZPWYETOZNAM-JOCHJYFZSA-N 393.512 3.855 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)NC(C)(C)C)n1Cc1ccccc1 1361162 MLPZQEMNHCTLGT-UHFFFAOYSA-N 384.505 3.902 0 40 GHAB CCCCNC(=O)CN1C[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 79024509 YXMLQMBEPHFJRD-GOSISDBHSA-N 379.504 3.592 0 40 GHAB O=C(Cn1ncc2ccccc2c1=O)NCC1(c2ccc(F)cc2)CCCCC1 55455351 SCAKFSVAGKGHIA-UHFFFAOYSA-N 393.462 3.554 0 40 GHAB CC(=O)NCC1(c2ccccc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 4214717 VDGZERMDPAAZEJ-UHFFFAOYSA-N 396.506 3.959 0 40 GHAB in-man O=C(CNC(=O)c1ccco1)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 6227540 LCBRSKLOXJKVAO-FQEVSTJZSA-N 397.814 3.830 0 40 GHAB Cc1ccc(OCC(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 6613748 MPSMOPKDZBSIGI-UHFFFAOYSA-N 383.517 3.877 0 40 GHAB CCn1c(SCC(=O)NCCCN(C)c2ccccc2)nc2ccccc21 7153936 DRHBNZVPYZUZQM-UHFFFAOYSA-N 382.533 3.791 0 40 GHAB COc1ccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCC2)cc1 7275540 SJURNILOWHFTFV-UHFFFAOYSA-N 380.444 3.738 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C(C)C)cc3)n2)cc1 7759613 XDRWJSDHQMRQEP-UHFFFAOYSA-N 395.459 3.906 0 40 GHAB COc1ccc(-c2nn(Cc3ccccc3)cc2CNCCCN(C)C)cc1 57303575 ORCXIFMQHLEVMV-UHFFFAOYSA-N 378.520 3.648 0 40 GHAB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCCCO)cc1 57322508 HQETZNZKADZYRM-BOPFTXTBSA-N 396.468 3.583 0 40 GHAB CCC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810747 PBUQLQMIKUPHSM-LBPRGKRZSA-N 382.432 3.684 0 40 GHAB CCCn1c(NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)nc2ccccc21 12531392 ZMEVNINLESGHEJ-IBGZPJMESA-N 394.475 3.661 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1Br 58337266 VYMAJXUGHWBNHB-GFCCVEGCSA-N 388.265 3.625 0 40 GHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2cccc3ccccc23)cc1 2079673 VACNDTQOZMMLDS-UHFFFAOYSA-N 396.464 3.738 0 40 GHAB CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 27664195 MEKXVAVOBCCMQS-DJIMGWMZSA-N 381.563 3.502 0 40 GHAB O=C1NC2(CCCCCCC2)C(=O)N1C[C@@H](O)c1ccccc1C(F)(F)F 58364736 IVCFRSLWQLWAIF-OAHLLOKOSA-N 384.398 3.774 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1 28293660 DNTMQQMLIICRKN-UHFFFAOYSA-N 389.411 3.607 0 40 GHAB CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)Cc3ccccc3)cc21 20853217 IOCZXDPSAZJQGM-UHFFFAOYSA-N 392.503 3.624 0 40 GHAB CCCCn1c(N)c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc21 2341468 KLDUTFLZLXNADX-UHFFFAOYSA-N 387.487 3.939 0 40 GHAB Cc1ccc(-n2c(S[C@H]3C[C@@H](C)OC3=O)nnc2-c2ccccn2)c(C)c1 53841386 YRRDRXPBTWNRDU-PBHICJAKSA-N 380.473 3.742 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc2nc(-n3cccc3)sc2c1 11865961 GYJLUZTYXKBJCJ-QGZVFWFLSA-N 391.452 3.513 0 40 GHAB CCn1ncc(-c2ccnc3cc(C(=O)Nc4cc(C)ccc4F)nn23)c1C 2798406 VEKMHOSHMKAKFM-UHFFFAOYSA-N 378.411 3.621 0 40 GHAB Cc1ccccc1OCC(=O)NCC(=O)OC(c1ccccc1)c1ccccc1 10040253 XTKNWSOFQKMAEQ-UHFFFAOYSA-N 389.451 3.823 0 40 GHAB O=C(N[C@H]1CCCCNC1=O)c1sc(-c2ccccc2)nc1-c1ccccc1 47172874 AIIUJKVRKSGSTE-KRWDZBQOSA-N 391.496 3.876 0 40 GHAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1c(F)cccc1Cl 10544240 IZVBBSIIBSMXNL-CQSZACIVSA-N 376.925 3.553 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(Cl)c2C)ccc1O 3318218 ITKDOWCFZYVGSJ-VQHVLOKHSA-N 375.808 3.558 0 40 GHAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 3387034 GNZCDBOGTKYPEQ-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB CC(C)c1ccc2c(c1)[C@]1(Nc3ccccc3C(=O)N1C[C@H]1CCCO1)C(=O)N2 48355586 SFQCAMMIYZANIJ-WAIKUNEKSA-N 391.471 3.662 0 40 GHAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(S(=O)(=O)C(F)F)cc1 12814120 LTOBYXBWZFAHCT-NWDGAFQWSA-N 385.354 3.534 0 40 GHAB Cc1cc2nnc(SCC(=O)NCc3ccc(F)cc3)n2c2ccccc12 3495845 FNJFYEOGXCJDJY-UHFFFAOYSA-N 380.448 3.739 0 40 GHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)COc1ccccc1C(N)=O 12986354 SHHMMPVQYGJDPP-UHFFFAOYSA-N 398.846 3.736 0 40 GHAB O=S(=O)(c1ccc2oc(Nc3ccc(F)cc3)nc2c1)N1CCCCC1 12974675 TXPVSEAKLHQQKO-UHFFFAOYSA-N 375.425 3.885 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCC[C@H]2C)c1 13005646 NCORJLYDECOMNN-DYVFJYSZSA-N 386.945 3.679 0 40 GHAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1ccccc1Cl 96007037 XWGSFTWNODBYNK-HLAWJBBLSA-N 398.934 3.717 0 40 GHAB Cc1ccc(CNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 409348727 OVEWCTXYTOCWMM-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB Oc1nc(CSc2nnc3ccccn23)nc2cc(C(F)(F)F)ccc12 13878640 YVJUABBITHLYPS-UHFFFAOYSA-N 377.351 3.689 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2sc(C)nc2C)c(Br)c1 6367333 RKGVUOGSGGKSCB-UHFFFAOYSA-N 383.267 3.626 0 40 GHAB CN1CCN(C(=O)Nc2cc3c(cc2Cl)OCCO3)[C@@H](c2ccccc2)C1 65516684 BWTLSYLUBJSLKQ-QGZVFWFLSA-N 387.867 3.632 0 40 GHAB CCOc1cc2c(cc1/C=C/C(=O)O[C@H](C)C(=O)Nc1ccccc1)O[C@@H](C)C2 6444502 DOUAPUUYKFJVMH-ZBYDSPNZSA-N 395.455 3.992 0 40 GHAB CCc1cc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)ncnc2s1 6619402 FHUFXDJFZZGRAF-UHFFFAOYSA-N 387.486 3.756 0 40 GHAB COc1ccccc1N1CCN(C(=O)Cc2c(C)[nH]c3ccc(F)cc23)CC1 4749297 PVYGPEKLWQKSIC-UHFFFAOYSA-N 381.451 3.515 0 40 GHAB O=c1cc(CSc2nnnn2-c2cccc(F)c2)c2cc3c(cc2o1)CCC3 5796404 HGFHHWYGYIAZTK-UHFFFAOYSA-N 394.431 3.689 0 40 GHAB COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)N1CCC(C)CC1 6916882 IXQQSKDHDCFFLY-UHFFFAOYSA-N 379.503 3.622 0 40 GHAB C[C@H](SCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1nc2ccccc2[nH]1 7118897 GGBVVLVHBUUVBO-NEPJUHHUSA-N 396.472 3.715 0 40 GHAB CCOc1ccccc1C(=O)OCC(=O)Nc1cccc(Br)c1 7509232 UQOLJJAOPABPHP-UHFFFAOYSA-N 378.222 3.643 0 40 GHAB CCNc1nc(SCC(=O)c2ccc3c(c2)OCCO3)nc2ccccc12 16397341 XILMMNSRCICIKX-UHFFFAOYSA-N 381.457 3.808 0 40 GHAB O=C(COCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 9669280 PELMHMRDZJMBHU-UHFFFAOYSA-N 386.757 3.953 0 40 GHAB CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)c1 16753560 KPVKVSLARFAYRT-FQEVSTJZSA-N 393.439 3.509 0 40 GHAB C[C@@H](c1nnc(SCC(=O)NC(C)(C)C)n1-c1ccc(Cl)cc1)N(C)C 16927307 NKSPXQKQLAIDDM-LBPRGKRZSA-N 395.960 3.550 0 40 GHAB CC(=O)OCCCSc1ccc(NS(=O)(=O)c2ccccc2F)cc1 69518600 QBCUUDXLKOXPRN-UHFFFAOYSA-N 383.466 3.672 0 40 GHAB COc1cccc(C(=O)Oc2ccccc2N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 17976204 FACZEUURUWUJOR-IAGOWNOFSA-N 379.412 3.594 0 40 GHAB O=c1nc(NCCc2c[nH]c3ccc(Cl)cc23)[nH]nc1-c1ccc(F)cc1 27526466 WIOIQZHBSBCREQ-UHFFFAOYSA-N 383.814 3.760 0 40 GHAB C[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(F)cc2Br)C1=O 8735120 BFTFWJNLGXBKAG-QGZVFWFLSA-N 377.213 3.555 0 40 GHAB CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc2nc3n(c2c1)CCC3 95966713 HKXOAESDEYJQGA-NRFANRHFSA-N 395.478 3.953 0 40 GHAB CCCS(=O)(=O)CC(=O)N1CC[C@@H](C)Sc2ccc(C(F)(F)F)cc21 95954704 ALEBYEUYUOTRIZ-LLVKDONJSA-N 395.468 3.748 0 40 GHAB Cc1cn2c(=O)cc(COc3ccccc3NC(=O)c3ccccc3)nc2s1 21369085 MQSMIXTUGURERD-UHFFFAOYSA-N 391.452 3.896 0 40 GHAB O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCC1(c2ccccn2)CCC1 552005545 OVBDTNHBKJEGTD-UHFFFAOYSA-N 385.316 3.930 0 40 GHAB O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccccc1CN1CCOCC1 25585515 HKUNQBMAKFGCLP-UHFFFAOYSA-N 393.314 3.685 0 40 GHAB O=C(CNc1cc(Cl)ccc1Cl)Nc1ccc(N2CCOCC2)cc1 21885233 AIMVZKOKEQWXKF-UHFFFAOYSA-N 380.275 3.881 0 40 GHAB O=c1c2cc(-c3ccc4c(c3)OCO4)nn2ccn1Cc1ccccc1Cl 64977507 OTGOCKGLDSKUBP-UHFFFAOYSA-N 379.803 3.593 0 40 GHAB CC(C)C1=NN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@](O)(C(F)(F)F)C1 409090031 PWZITNSNIAVAMK-GOSISDBHSA-N 386.414 3.858 0 40 GHAB O=S(=O)(Cc1ccccc1)Nc1nn(Cc2ccccc2F)cc1Cl 32610007 JHQPNIBZPYUGEI-UHFFFAOYSA-N 379.844 3.666 0 40 GHAB CCOC(=O)c1cnn(-c2ncnc3sc(C)c(-c4ccccc4)c23)c1N 36646031 RGAMGBXJKOVOBG-UHFFFAOYSA-N 379.445 3.611 0 40 GHAB O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1cccs1 408625878 ZLTXUVSYYKIVFY-UHFFFAOYSA-N 377.235 3.916 0 40 GHAB Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCN2C(=O)C2CCOCC2)n1 72384285 KLOXIGMGFISFOG-KRWDZBQOSA-N 385.439 3.807 0 40 GHAB CC(C)C[C@@H](CO)NC(=O)CC1(CN2Cc3ccccc3C2=O)CCCCC1 1565524623 PMXFBJACVQKXIP-IBGZPJMESA-N 386.536 3.506 0 40 GHAB C[C@H](C(=O)OCn1c(=S)sc2ccccc21)N1C(=O)C(=O)c2ccccc21 36612533 FNUVZZHYAMZWOX-LLVKDONJSA-N 398.465 3.551 0 40 GHAB COc1cccc(-c2noc([C@@H]3CCN(Cc4cccc(OC)c4OC)C3)n2)c1 72369873 ACHHEBQWIFEYIR-QGZVFWFLSA-N 395.459 3.752 0 40 GHAB COc1ccc(OC)c(C(=O)N2CCC[C@H]2c2nnc(-c3ccsc3)o2)c1 72390162 QSMFXRWBGRFTTE-HNNXBMFYSA-N 385.445 3.793 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(C(=O)O)c1 217559668 ZEQKPSKBTRNEDO-KBPBESRZSA-N 376.478 3.635 0 40 GHAB NC(=S)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218650518 KLHKVLKRGVHTAK-ILXRZTDVSA-N 386.325 3.835 0 40 GHAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(C(=O)O)cc2)c(OC)c1 40287303 ZNYATOLQNARBCO-OAHLLOKOSA-N 393.399 3.711 0 40 GHAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)n1 72354088 NPKQCXBJVCMIMH-LJQANCHMSA-N 392.478 3.873 0 40 GHAB CC[C@H]1c2ccsc2CCN1C(=O)c1nc(N2CCCC2)ncc1Cl 44400907 SZHDSMNOMRTIQF-AWEZNQCLSA-N 376.913 3.941 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cc1 223019116 KKADJLYADWAEPI-SFTDATJTSA-N 392.528 3.800 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 223058653 BILHDJYXNMXZAB-IBGZPJMESA-N 390.886 3.883 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2nccs2)c1C 222773129 VJMZOCLRIYMWPJ-DLBZAZTESA-N 383.546 3.938 0 40 GHAB O=S(=O)(NCc1ccc(-c2ccco2)nc1)c1ccccc1C(F)(F)F 225753579 IARSKRQRRGEIPQ-UHFFFAOYSA-N 382.363 3.839 0 40 GHAB O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 223368405 UHFFFULDEJHKLE-UHFFFAOYSA-N 397.733 3.997 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2C)c1 225929797 ZDLJPFHYCIDLME-UHFFFAOYSA-N 380.897 3.524 0 40 GHAB CCCc1nc(N2CCN(c3ccc(F)cc3)CC2)c2c(n1)c(C)nn2CC 226688344 UPGOVCBINXEAKI-UHFFFAOYSA-N 382.487 3.573 0 40 GHAB Cc1cc(C(=O)N2CCC3(CC2)CCn2c(-c4cccc(F)c4)cnc23)no1 96080119 UIHTWGGLRZKUQA-UHFFFAOYSA-N 380.423 3.563 0 40 GHAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2NC1=O 252478042 AARXJQWJBSVKIW-KRWDZBQOSA-N 378.425 3.516 0 40 GHAB CN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)S(C)(=O)=O 260746076 RBAKLJLQAHAWSN-HNNXBMFYSA-N 387.288 3.565 0 40 GHAB CSCc1cc(C(=O)N[C@@H]2CCO[C@H]2c2cnn(CC3CC3)c2)ccc1F 597839796 PJWGLIVDWRHYII-MOPGFXCFSA-N 389.496 3.555 0 40 GHAB C[C@@]1(C2CC2)CN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CCO1 617401968 AJPWZRXXZYCLJY-NRFANRHFSA-N 394.500 3.637 0 40 GHAB CC(=O)NC[C@H](CC(=O)N1Cc2ccc(C)c(Br)c2C1)CC(C)C 620656392 QRPLCGUGVMLYKW-HNNXBMFYSA-N 395.341 3.788 0 40 GHAB O=C(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(Cn2cncn2)c1 624502451 XNLBYJKTZFIIBN-UHFFFAOYSA-N 389.503 3.607 0 40 GHAB O=C(CN1CCC(c2nnc(-c3ccsc3)o2)CC1)N1CCc2ccccc21 96024420 FASPHGOKBGXGLI-UHFFFAOYSA-N 394.500 3.567 0 40 GHAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(Cn2cncn2)cc1 37136733 XSTCDEXTUCTCET-UHFFFAOYSA-N 375.457 3.626 0 40 GHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 46004537 CSCFBJJARIRYTK-MNEFBYGVSA-N 389.496 3.521 0 40 GHAB O=C(NCCc1ccccc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 1083103358 BIGTZVFWQRWBCF-SSGKUCQKSA-N 379.548 3.834 0 40 GHAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)CCc2c(Cl)cccc2Cl)C1 96120083 SFZZGEVDFVEEBX-GFCCVEGCSA-N 392.348 3.740 0 40 GHAB CCOc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 5002134 HPFOSLPXAITZIF-WMZOPIPTSA-N 395.455 3.561 0 40 GHAB O=S(=O)(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1cc(F)ccc1F 5083989 KRZHSKXBZQHVDR-UHFFFAOYSA-N 393.440 3.735 0 40 GHAB CCn1c(SCC(=O)c2ccc(OC)c(Cl)c2)nnc1-c1ccncc1 12944139 MLOYRBLYDCUBDM-UHFFFAOYSA-N 388.880 3.997 0 40 GHAB C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)C1 13010759 FXLUQUUCLFVPJY-KRWDZBQOSA-N 398.528 3.700 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc(O)nc3ccccc23)c(C)c1 17962199 LJTJPTHVJHUTEK-UHFFFAOYSA-N 377.444 3.576 0 40 GHAB Cc1ccc2scc(CC(=O)N3CCC[C@H](c4n[nH]c5nccnc45)C3)c2c1 19220623 PCCDESRBDUQZFP-AWEZNQCLSA-N 391.500 3.825 0 40 GHAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CCCN2CC(=O)N(C)C2CCCCC2)n1 19690946 HTLFWWVTBSQMMD-JOCHJYFZSA-N 395.551 3.719 0 40 GHAB Cc1cc(C)nc(N2CCO[C@@H](c3ccc(Cc4ccccc4F)cn3)C2)n1 19692936 PGHNTCAWLNLQSC-OAQYLSRUSA-N 378.451 3.796 0 40 GHAB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1C(C)C 19818581 RCRKSMQBCNHLPT-WOJBJXKFSA-N 391.471 3.960 0 40 GHAB CCN1CCN(CC(C)C)CCOc2ccccc2Oc2ncccc2C1=O 643588396 GEBOLYUAQCBMKO-UHFFFAOYSA-N 383.492 3.686 0 40 GHAB O=C(NCC1CCN(C2CCSCC2)CC1)c1cccc(Br)c1 252539268 NYBVOEYNHMFSPQ-UHFFFAOYSA-N 397.382 3.787 0 40 GHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2)C1 19591734 ZYRBIXOWPCRIKK-RUZDIDTESA-N 385.511 3.929 0 40 GHAB CCCCOC(=O)c1c(N)n(Cc2ccccn2)c2nc3ccccc3nc12 6318092 GTHOFCDQWJFUIY-UHFFFAOYSA-N 375.432 3.567 0 40 GHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N1CCc2sccc2C1 22391654 OQCUBQWBPVRGQE-UHFFFAOYSA-N 378.881 3.831 0 40 GHAB CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(Oc2nccs2)cc1 238856971 KAYJTQCXYSOMHG-UHFFFAOYSA-N 377.466 3.580 0 40 GHAB Cc1nc(C(=O)NC2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cs1 1565555141 UFQFPDDXGSCIIM-UHFFFAOYSA-N 383.517 3.685 0 40 GHAB CN(C)CCN(C(=O)c1cccc(F)c1)c1nc2c(F)cc(F)cc2s1 5121735 HFWSYLNFFPGNRT-UHFFFAOYSA-N 379.407 3.922 0 40 GHAB CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3cccs3)ccc21 8840912 YXQZZOBOVPMTMC-UHFFFAOYSA-N 378.519 3.874 0 40 GHAB CCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2c(C)ccc(OC)c21 100908856 AMZWJKBAOKOVJG-DQRAZIAOSA-N 394.452 3.887 0 40 GHAB O=C(c1ccc2nsnc2c1)N1CCC(c2nnc(-c3ccco3)s2)CC1 49363091 PNSMDECFQWKMTA-UHFFFAOYSA-N 397.485 3.823 0 40 GHAB COc1ccc2nc(OC3CCN(C(=O)/C=C/c4ccco4)CC3)sc2c1 49434034 QSAPRNXEOPUQAI-FNORWQNLSA-N 384.457 3.981 0 40 GHAB Cc1ncsc1C(=O)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 585532426 RBMDTQLZAGETNV-UHFFFAOYSA-N 385.411 3.797 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)[C@@H](C)n1ccnc1 40144093 QKPPSEWUYGWBAD-MRXNPFEDSA-N 385.899 3.618 0 40 GHAB CCCS(=O)(=O)[C@@H](C)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 50498909 UKXAPPKZJWTMGL-NSHDSACASA-N 380.337 3.601 0 40 GHAB CCOc1cccc(CNC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364593 HVIMDWHTOTYCSM-HXUWFJFHSA-N 388.467 3.922 0 40 GHAB COC(=O)c1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1 32104370 FVOWGGBXGSJRRO-CYBMUJFWSA-N 397.822 3.534 0 40 GHAB COc1ccc(-c2noc(CS(=O)(=O)[C@@H](C)c3ccccc3F)n2)cc1 52439699 ICNMAUQOFCJEBL-LBPRGKRZSA-N 376.409 3.560 0 40 GHAB Cc1sc(NC(=O)c2ccc[nH]c2=O)nc1-c1ccc(OC(F)F)cc1 21597450 DQHAIYZLJAAPPN-UHFFFAOYSA-N 377.372 3.661 0 40 GHAB CN1CCN(C(=O)c2csc(Cc3ccccc3)n2)[C@H](c2ccccc2)C1 32941264 WBAQGSVCACANQL-FQEVSTJZSA-N 377.513 3.863 0 40 GHAB CCNC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)sc2c1CCCC2 702498 WXQHPINMPHQHIG-GFCCVEGCSA-N 390.480 3.922 0 40 GHAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)n1 870317 OIKNEIDFVBESEC-UHFFFAOYSA-N 397.460 3.538 0 40 GHAB CC[C@H](C)c1ccc(NC(=O)CN(CC)Cc2nc3ccccc3c(=O)[nH]2)cc1 23508698 HGAJWFMIIHZMGR-INIZCTEOSA-N 392.503 3.897 0 40 GHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)NC1CCN(c2ccc(F)cc2)CC1 54651984 USDOUDKZBPFQIB-UZLBHIALSA-N 377.504 3.689 0 40 GHAB O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 3018886 BFUYGTOALBVXRP-UHFFFAOYSA-N 378.881 3.767 0 40 GHAB CN(CC(=O)Nc1cccc2ccccc12)Cc1nc(O)c2sccc2n1 24001983 UOOJIYAAPNKBQI-UHFFFAOYSA-N 378.457 3.621 0 40 GHAB O=C1Nc2ccccc2O[C@@H]1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 24581561 LULWIZYNOUOKCQ-DOTOQJQBSA-N 393.468 3.750 0 40 GHAB CC(C)(C)c1ccc(C(=O)N2N=C(c3ccncc3)C[C@]2(O)C(F)(F)F)cc1 871863 NADITVUDVSYICA-IBGZPJMESA-N 391.393 3.880 0 40 GHAB C[C@H](CCc1ccco1)NC(=O)c1nnn(-c2ccccc2)c1-c1ccccn1 77199875 CWRNKQCSLGWBIM-MRXNPFEDSA-N 387.443 3.673 0 40 GHAB Cc1ccccc1OCc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)n1C 916571 LGSWALPIRXEBID-HZPDHXFCSA-N 388.537 3.584 0 40 GHAB C[C@@H]1CN(Cc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C[C@@H](C)O1 24965405 DXSKAWFPOUMWHN-QZTJIDSGSA-N 391.515 3.750 0 40 GHAB C[C@H](OC(=O)c1cc(F)c(F)cc1Cl)C(=O)Nc1ccc2c(c1)OCO2 3445703 OSAPEPZYFUEMCX-QMMMGPOBSA-N 383.734 3.531 0 40 GHAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1)c1ccc(F)cc1 25051083 DESJVJJUNSYSQK-NRFANRHFSA-N 393.462 3.707 0 40 GHAB NC1=Nc2nc3ccccc3n2[C@@H](c2nc3ccccc3n2Cc2ccccc2)N1 1408253 DSJWAMVQQGWOMA-NRFANRHFSA-N 393.454 3.531 0 40 GHAB CCN1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCCC3)CC1 4980627 TVTMFMOZKAKMAD-UHFFFAOYSA-N 379.483 3.556 0 40 GHAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 6887256 GFLVKAAOGYPVQS-CYBMUJFWSA-N 390.896 3.560 0 40 GHAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccccc3F)o2)c1 7610290 ISNCWXPCHWZWIL-UHFFFAOYSA-N 386.408 3.565 0 40 GHAB COc1ccc(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1OC(F)F 43995395 RUXYFLXEEXTBBX-GFCCVEGCSA-N 385.436 3.783 0 40 GHAB CCN(C(=O)Cn1c(-c2ccc(F)cc2)nc(C)cc1=O)c1cccc(C)c1 57477818 LIXPKDHWPAYXKN-UHFFFAOYSA-N 379.435 3.719 0 40 GHAB CCCCOC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 1973036 FLVIEMNHFILWIF-GHMZBOCLSA-N 380.535 3.933 0 40 GHAB CC(C)CC(=O)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1 8673918 LPHMWJCAMVGFMP-UHFFFAOYSA-N 377.535 3.995 0 40 GHAB O=C(COc1ccc(F)cc1)NC[C@@H](c1cccs1)N1CCCCCC1 27662555 GJSRQVVFGKMNLA-SFHVURJKSA-N 376.497 4.000 0 40 GHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCSc2ccccc21 10224591 OWOAEUVCCPPQLB-UXHICEINSA-N 393.512 3.568 0 40 GHAB CCN(CC)CCN(CC(C)C)C(=O)NC[C@H](c1ccco1)N1CCCCC1 58438880 KPWKRKOJJYMWRN-HXUWFJFHSA-N 392.588 3.816 0 40 GHAB CSc1cc2c(cc1NCC(=O)N[C@H]1CCCc3ccccc31)OCCO2 58341043 VFXGRLVRLBZVBI-INIZCTEOSA-N 384.501 3.785 0 40 GHAB CN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccc(OC(F)(F)F)cc1 36398534 SDMSYZWCKJYUMQ-UHFFFAOYSA-N 392.377 3.703 0 40 GHAB COc1ccccc1Cn1c(N)c(C(=O)OC(C)C)c2nc3ccccc3nc21 2325666 FNSVXQLUMDVGPR-UHFFFAOYSA-N 390.443 3.789 0 40 GHAB COc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 3219502 VIYXXNNRWYKBAC-UHFFFAOYSA-N 398.242 3.735 0 40 GHAB Cc1c(-c2ccccc2)nn2c(O)cc(C[C@@H](C)n3nnc4ccccc43)nc12 100775826 RXYUNVMYGZNQMM-CQSZACIVSA-N 384.443 3.959 0 40 GHAB Cc1noc(C)c1COC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 29950934 SIAXJLMTTFUOMB-UHFFFAOYSA-N 378.432 3.780 0 40 GHAB Cc1cccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)c1 102076865 OBRQVRYNQRWLIZ-VXAPCQRLSA-N 399.446 3.772 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(Cl)cc1 2767721 MYLFDOTUMPXVAY-UHFFFAOYSA-N 375.881 3.621 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC[C@H](C(=O)Nc2ccccc2)C1 37458321 VQRYHCJLMISQRB-MOPGFXCFSA-N 379.504 3.981 0 40 GHAB CN1C(=O)C[C@H](N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2)C1=O 100797306 XLPCOGPJUAAQEN-RXVVDRJESA-N 393.874 3.526 0 40 GHAB biogenic COc1cc2c(cc1OC)CN(C(=O)c1cc(F)ccc1Br)CC2 12893839 HPPPVYSRWYEBHT-UHFFFAOYSA-N 394.240 3.804 0 40 GHAB O=S(=O)(Cc1ccccc1)Nc1ccc(Br)c2cccnc12 27930413 KAHBYCLOYMFYOI-UHFFFAOYSA-N 377.263 3.939 0 40 GHAB O=C(c1ccccc1Br)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 4163589 GJIJAWMNSQXSRY-YGRLFVJLSA-N 391.187 3.702 0 40 GHAB COCCCNC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCCC2 5027492 IRSFOYMVMAAZBM-UHFFFAOYSA-N 386.517 3.954 0 40 GHAB CCc1cc2oc(=O)cc(CSc3ncnc4c3cnn4C)c2cc1Cl 65521082 CMYGQYZFTISUCB-UHFFFAOYSA-N 386.864 3.978 0 40 GHAB O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCC[C@@H]1c1nnc2ccccn12 14138267 GZFHSKRABOBPSI-QSOAKEGCSA-N 388.880 3.520 0 40 GHAB C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)N1CCCC1 4516074 ADKWCBIDGUOFDQ-HNNXBMFYSA-N 382.489 3.689 0 40 GHAB O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCc2ccccc21 6551613 PUDLQNCUIBIUJR-UHFFFAOYSA-N 378.453 3.690 0 40 GHAB O=C(c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCCC1 408976536 FZEHXFGQPLZCHS-UHFFFAOYSA-N 381.439 3.990 0 40 GHAB COc1cc(NC(=O)[C@@H](C)N(C)CCOc2ccccc2Cl)cc(OC)c1 15103464 ODNBMJOWADXZSO-CQSZACIVSA-N 392.883 3.695 0 40 GHAB O=C(NC1CCCCCC1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 67334555 AMXSBSCJBAWWAH-UHFFFAOYSA-N 396.491 3.558 0 40 GHAB COc1ccc(-c2nnc(S[C@@H](C(=O)NC3CC3)c3ccccc3)n2C)cc1 7180262 FUAYAPHNHFJLOI-GOSISDBHSA-N 394.500 3.603 0 40 GHAB O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)[C@@H]1COc2ccccc2O1 7735665 NSQDFUWWIVSROB-NRFANRHFSA-N 395.455 3.736 0 40 GHAB Cc1nnc(SCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)s1 8157332 NHSUTAWYBQLTBU-QGZVFWFLSA-N 393.534 3.613 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 8262922 VMXRNDHYDFWEOM-GOSISDBHSA-N 377.893 3.933 0 40 GHAB COc1cc(OC)c(OC)cc1/C=C1/N=C(c2ccc(OC(C)C)cc2)OC1=O 96635158 JFAXYRUJRCQPIN-LICLKQGHSA-N 397.427 3.844 0 40 GHAB Cc1cccc(COc2ccc([C@@H](C)NC(=O)N[C@H](C)Cn3cncn3)cc2)c1 69825794 ZZJTZRKPSQWGJK-QZTJIDSGSA-N 393.491 3.614 0 40 GHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1cccc2nsnc12 19077164 FTCWFICXHSMYBU-UHFFFAOYSA-N 389.436 3.940 0 40 GHAB Cc1ccccc1C(=O)Nc1cc(O)nc2nc(-c3ccc(Cl)cc3)nn12 9013847 AYZQHMYIPSSVKA-UHFFFAOYSA-N 379.807 3.711 0 40 GHAB Cc1ccc(-c2ccc3c([C@H]4CN(Cc5ccoc5)CCN4C)nnn3c2)cc1 306130044 IUXRICGMQZKUGX-JOCHJYFZSA-N 387.487 3.786 0 40 GHAB O=C(COC(=O)C1(O)CCCC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 84341194 MSVGQJNBRCGLNM-OAHLLOKOSA-N 386.275 3.505 0 40 GHAB Cc1cc2nc3s/c(=C\c4ccc(N5CCCCC5)o4)c(=O)n3c2cc1C 408851689 MMJQXDGFGNOYNX-PDGQHHTCSA-N 379.485 3.657 0 40 GHAB O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]21 306124810 CAAXBWUSVDOEJC-GHTZIAJQSA-N 383.444 3.841 0 40 GHAB Cc1c(F)cccc1/N=c1\oc2cc(O)ccc2cc1C(=O)NC[C@@H]1CCCO1 67298886 SEJRGQCQCLZCCR-NOAXNCOGSA-N 396.418 3.727 0 40 GHAB CC(C)c1ccc([C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)c2cccs2)cc1 39995664 IEFTYRDKTBZEMG-FUHWJXTLSA-N 377.531 3.512 0 40 GHAB O=C(NCc1nc(-c2ccncc2)n[nH]1)N1CC2(CCCC2)[C@H]1c1ccccc1 560848937 JTFZBICDWXYRTD-LJQANCHMSA-N 388.475 3.694 0 40 GHAB CNC(=O)c1ccccc1NC(=O)CCSc1ccccc1Br 40107386 ACJDWOHEOXAGGB-UHFFFAOYSA-N 393.306 3.930 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)NCCC(C)C)cc2)cc1 225985133 ABTSERBADUFZGU-UHFFFAOYSA-N 388.533 3.525 0 40 GHAB COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1COCC(C)C 224452872 KCPIKRAPZSILGS-UHFFFAOYSA-N 396.531 3.826 0 40 GHAB Cc1ccc(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)c2ccccc2)cc1 223464166 XGPMTPXXLPFZSI-UHFFFAOYSA-N 398.528 3.807 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccncc2)c1C 222772906 NGUFMXLWVIBMSX-NHCUHLMSSA-N 391.544 3.936 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl 224673833 MUXSVXQZDMRTGN-HNNXBMFYSA-N 390.886 3.964 0 40 GHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCc1ccc(C)cc1 222980125 ZVXUIZSQDCOEIQ-SFHVURJKSA-N 382.504 3.837 0 40 GHAB CCc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccccc2)cc1 225195431 JNELEDRFCKXROS-KRWDZBQOSA-N 388.533 3.605 0 40 GHAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225637706 RTFSVBXBOFNPLT-MRXNPFEDSA-N 383.517 3.876 0 40 GHAB COC(=O)c1c(NCc2ccc(F)cc2F)c2cccc(Cl)c2[nH]c1=O 49001617 QBCUDSMAVGRJFI-UHFFFAOYSA-N 378.762 3.858 0 40 GHAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)Cc1ccccc1 224672867 VHUKTWHNJXCWMM-KRWDZBQOSA-N 382.479 3.844 0 40 GHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1cccc(C)c1 223500318 FHIAJHKZWHSPCA-OAQYLSRUSA-N 398.572 3.824 0 40 GHAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NC)cc1 223232130 HJDSXROHDYEHRW-OAQYLSRUSA-N 384.495 3.874 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cn3ccccc3=O)cc2)cc1 40135022 PCCASOBTDDJJEF-UHFFFAOYSA-N 396.512 3.995 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 224223063 UOGGQCDTOSRBMT-OAQYLSRUSA-N 396.531 3.934 0 40 GHAB COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C[C@H](C)CC(=O)O 579494787 BFPWGQZHYVTIQG-SMDDNHRTSA-N 384.270 3.622 0 40 GHAB COc1ccc(CN(C)C(=O)NCc2ccccc2OC(F)(F)F)cc1OC 26533939 QOKGIKPZLWGOPN-UHFFFAOYSA-N 398.381 3.944 0 40 GHAB COC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253612374 LBPKNGBNCCAHKH-VGKUBPDHSA-N 390.520 3.929 0 40 GHAB O=C(NCC[C@H]1CC1(F)F)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 621418749 JPCCMNMZQPDFFF-DZGCQCFKSA-N 389.849 3.788 0 40 GHAB O=C(c1ocnc1C(F)F)N1CCC2(CCN(Cc3ccccc3)CC2)C1 606445035 LZOTXLIZASLPHL-UHFFFAOYSA-N 375.419 3.741 0 40 GHAB COc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c(O)c1 46368519 JDFIGTVZFPAUJD-UHFFFAOYSA-N 384.819 3.517 0 40 GHAB Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)Cc3cccs3)CC2)on1 12118340 RJMGTISHCZDPMA-UHFFFAOYSA-N 382.489 3.759 0 40 GHAB CSc1ccc(NC(=O)[C@H](C)n2nc(-c3cc(C)oc3C)cc(N)c2=O)cc1 12183700 FNEPDHKFQDZMED-LBPRGKRZSA-N 398.488 3.624 0 40 GHAB COc1cccc(-c2nnc(NC(=O)c3cnc(C(C)(C)C)nc3)s2)c1OC 12196002 KUMRWTKJSPWJIG-UHFFFAOYSA-N 399.476 3.562 0 40 GHAB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@H]1c1ccc(O)c(OC)c1 12558518 VPBXSOXMDCLAQZ-IBGZPJMESA-N 398.484 3.592 0 40 GHAB Cc1cc(OCCCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)ccc1Cl 14932786 MHHMYGHLAAPKKQ-UHFFFAOYSA-N 399.878 3.703 0 40 GHAB CC(=O)N1CCc2nc(C3CCN(C/C(C)=C/c4ccccc4)CC3)ncc2C1 19014368 DNSMARMCLPARJW-NBVRZTHBSA-N 390.531 3.664 0 40 GHAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C/C(C)=C/c2ccccc2)C3)CC1 19014432 XIMHVEURZNBXNH-NBVRZTHBSA-N 390.531 3.664 0 40 GHAB O=C1CCCN1CCCNc1ncc(-c2ccccn2)c(-c2cccs2)n1 19402687 CFVBGCIZIGVLCB-UHFFFAOYSA-N 379.489 3.692 0 40 GHAB CCn1ncc(-c2cc(C(=O)N[C@@H](C)CCc3ccc(OC)cc3)on2)c1C 19524061 UUCUBCPFFHGFEC-AWEZNQCLSA-N 382.464 3.626 0 40 GHAB CCn1ncc(-c2cc(C(=O)N[C@H](C)CCc3ccc(OC)cc3)on2)c1C 19524062 UUCUBCPFFHGFEC-CQSZACIVSA-N 382.464 3.626 0 40 GHAB CN1CCN(C(=O)C2CCC2)C[C@H](Cc2ccccc2-c2cccc(F)c2)C1=O 19589578 MDBQMGCVECYGAM-FQEVSTJZSA-N 394.490 3.752 0 40 GHAB O=C(CN1CCC(n2c(=O)oc3ccccc32)CC1)Nc1ccccc1Cl 12184661 ZUSHQYDEURDDIB-UHFFFAOYSA-N 385.851 3.524 0 40 GHAB C/C(Cl)=C/CNC(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 12219340 OLKANVXFQLVBTK-ACAGNQJTSA-N 377.897 3.519 0 40 GHAB O=C(NCC1CCN(C2CCSCC2)CC1)c1ccc2ncsc2c1 253393995 CNHYQRNKEMNHDW-UHFFFAOYSA-N 375.563 3.634 0 40 GHAB CC(C)n1c(N2C[C@H]3CN(C(=O)CCC(F)(F)F)C[C@H]3C2)nc2ccccc21 1888860278 LOIUIZYNYZKYFQ-GASCZTMLSA-N 394.441 3.854 0 40 GHAB COC(=O)c1ccc(NC(=O)COc2ccc(F)cc2Br)c(C)c1 24925448 CMSXPTHCLAKKSI-UHFFFAOYSA-N 396.212 3.701 0 40 GHAB COC(=O)C[C@H](NC(=O)c1ccc(F)cc1Br)c1cccs1 25196881 AJSHHUGCJPWFLD-LBPRGKRZSA-N 386.242 3.684 0 40 GHAB COc1ccc(CN2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)c(C)c1 2037984144 RSUQRSVHZXEIOM-DEOSSOPVSA-N 394.515 3.792 0 40 GHAB Cc1ccc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)c(C)c1 4327634 ORBSSRJNIPSVCR-UHFFFAOYSA-N 390.472 3.534 0 40 GHAB Cc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)cc1C 4329727 UMOIYRNTPDFTKN-UHFFFAOYSA-N 394.454 3.951 0 40 GHAB O=c1c(=O)n(-c2cccc3ccccc23)ccn1Cc1ccc(F)cc1Cl 4569915 URFOZAVZCWCMSY-UHFFFAOYSA-N 380.806 3.993 0 40 GHAB Cc1nc2cc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)ccc2s1 5189535 XJBDBIFPYPTYDL-UHFFFAOYSA-N 378.450 3.546 0 40 GHAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 9037753 RGCNABWZARYDOE-UHFFFAOYSA-N 384.863 3.896 0 40 GHAB Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)c(C)c1 9071546 VEANQVXYKOVGOX-UHFFFAOYSA-N 391.515 3.543 0 40 GHAB CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 12442944 ZHUFEDUYNHULRK-UHFFFAOYSA-N 389.527 3.962 0 40 GHAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCc1ccc(Cl)cc1 22505972 GIZHGTIMPYKSSN-UHFFFAOYSA-N 393.896 3.510 0 40 GHAB Cc1cc(NC(=O)C2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)no1 49412077 VHKUQNUIVOKXSO-UHFFFAOYSA-N 396.369 3.884 0 40 GHAB Cc1cc(C)n(-c2nccnc2SCC(=O)Nc2ccc(F)c(Cl)c2)n1 49404446 KJONLTVAKAULDM-UHFFFAOYSA-N 391.859 3.802 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 1364402 RYJJKNFMKGWYMG-CQSZACIVSA-N 389.502 3.675 0 40 GHAB CCN1CCN([C@H](c2ccc(C(C)C)cc2)c2sc3nc(C)nn3c2O)CC1 22458880 YYIDDHICZCFLLZ-GOSISDBHSA-N 399.564 3.655 0 40 GHAB O=C(Nc1ccnc(Cl)c1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 9305820 VYNHKQOICVRFCR-UHFFFAOYSA-N 396.878 3.890 0 40 GHAB Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)no1 40087104 KYPLRAKWWZUCGD-GFCCVEGCSA-N 382.247 3.781 0 40 GHAB C[C@H]1CN(c2ccccc2NC(=O)NCCCOCc2ccco2)C[C@H](C)O1 40151791 IBTACHYJDSEJLZ-IRXDYDNUSA-N 387.480 3.622 0 40 GHAB O=C(Nc1ccc(CCN2CCOCC2)cc1)c1csc(Br)c1 40157058 PJLZJIJWTQIFSW-UHFFFAOYSA-N 395.322 3.638 0 40 GHAB Cc1cccnc1NC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 40143981 JNYXGIAEXIXNDY-UHFFFAOYSA-N 389.381 3.788 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C[C@H](O)COc1ccc(Cl)cc1Cl 33015058 RRJWMGWFCSTXBC-HNNXBMFYSA-N 398.286 3.636 0 40 GHAB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1CCCN1[C@H]2c1ccc2ccccc2n1 103020479 RKOONEMLJYTHIL-MLNNCEHLSA-N 383.451 3.560 0 40 GHAB CC(C)(C)c1nc(CNC2CCN(C(=O)c3ccccc3F)CC2)cs1 53018942 QHIAYJCWRJLNTH-UHFFFAOYSA-N 375.513 3.974 0 40 GHAB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1Cc1ccc(F)cc1 22707426 CULONNWIYZFMAA-UHFFFAOYSA-N 380.419 3.653 0 40 GHAB CC[C@H](C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CC)CC)n1 850759 BCOPQQOZMPSIKT-QMMMGPOBSA-N 389.344 3.800 0 40 GHAB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1OC 803119 DOTPQRYUNQHMCK-CABCVRRESA-N 385.855 3.677 0 40 GHAB Cc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)s1 1097041 YXGDXXGTEDHBCU-RIYZIHGNSA-N 377.263 3.912 0 40 GHAB COc1ccc(-c2c(N)cnc(C(=O)O)c2C)c(OCc2ccccc2)c1OC 1559583 FDBGSJZMSANAJD-UHFFFAOYSA-N 394.427 3.934 0 40 GHAB CCCCOc1cccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c1 2065083 QKZVJQACTYQWTD-UHFFFAOYSA-N 385.416 3.691 0 40 GHAB C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCC3=CCCCC3)CC(=O)N21 2096837 CVIOFNMXAVQHQX-QRWLVFNGSA-N 377.488 3.715 0 40 GHAB biogenic CCN(CC)C[C@H](C)NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2778843 ITJLMXSFRIROFC-WDEREUQCSA-N 394.869 3.840 0 40 GHAB CC(=O)Oc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1 3147135 QYLYCNDPAPXRPG-YBEGLDIGSA-N 386.201 3.719 0 40 GHAB O=C(Nc1ccc2ccccc2c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 3206530 FIBAMJVHNDQVLH-IBGZPJMESA-N 394.496 3.879 0 40 GHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CS[C@]2(c3cccs3)CCC(=O)N12 3442302 FUVOXYWXDFPRBY-KSSFIOAISA-N 392.933 3.609 0 40 GHAB CCC(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@@H]1c1ccccc1 4036263 VPICDTXEJQOOAB-LJQANCHMSA-N 385.489 3.536 0 40 GHAB CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C(N)=O)C1 4174380 AJOWESKTXGCGOZ-AGIUHOORSA-N 392.521 3.582 0 40 GHAB Cc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cccc(F)c3)s2)c1 4392876 SZOBKBCMQUUTIV-UHFFFAOYSA-N 397.475 3.863 0 40 GHAB Cc1c(CC(=O)N2CCOCC2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 4743895 QUWLPLBGUIYWLL-UHFFFAOYSA-N 383.444 3.546 0 40 GHAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(F)c3ccccc23)c1 4745117 SACYRGOITGWDBF-UHFFFAOYSA-N 389.404 3.575 0 40 GHAB Cc1cc2c(cc(C(=O)O[C@@H](C(=O)NC(C)(C)C)c3ccccn3)n2C)s1 4924422 XQDPPIVGLWXEMG-QGZVFWFLSA-N 385.489 3.756 0 40 GHAB CCSCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Cl)cc1 4987195 QJYHCGDLHKFIAU-HNNXBMFYSA-N 378.885 3.517 0 40 GHAB CCN1CCN(C(=S)N[C@@H](CC(=O)c2ccccc2)c2ccccc2)CC1 5161851 WAJMOJWJQLIPDJ-FQEVSTJZSA-N 381.545 3.513 0 40 GHAB CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccn1)N(c1cc(C)on1)C3=O 5269794 AJJDICDQUNGESK-IBGZPJMESA-N 387.395 3.797 0 40 GHAB CC[C@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)NCc1ccco1 5415180 LGHOQGJXSWWDLY-IRXDYDNUSA-N 375.513 3.676 0 40 GHAB biogenic,in-vitro C[C@@H](Sc1ccccc1Cl)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 6351999 VHJAQJQNQRPBCT-GFCCVEGCSA-N 398.937 3.710 0 40 GHAB Cc1ccc(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc3c2cnn3C)cc1Cl 6941294 POXUOHXNMMKGLF-CHWSQXEVSA-N 386.887 3.682 0 40 GHAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 7051211 MBWLVOGXKDDXBZ-ZDUSSCGKSA-N 376.478 3.968 0 40 GHAB C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7388787 HNHMJOJONBOAJU-QFIPXVFZSA-N 375.428 3.785 0 40 GHAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)[nH]2)c1 7605031 OSEQYCXBTRICES-UHFFFAOYSA-N 395.488 3.778 0 40 GHAB COc1ccc(SCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 7791233 CWUYEJCPUCRPFB-UHFFFAOYSA-N 396.468 3.949 0 40 GHAB O=C(COC(=O)CCc1ccccc1)Nc1ccc2c(c1)OC1(CCCC1)O2 7986673 NGSILEGEFQJWJL-UHFFFAOYSA-N 381.428 3.843 0 40 GHAB COc1ccc(NC(=O)COc2ccc(NC(=O)c3ccccc3)cc2)cc1 8120978 NRXPOSZNATVPOV-UHFFFAOYSA-N 376.412 3.965 0 40 GHAB CC(C)Oc1ccc(-c2nnc(Nc3ccc(N4CCOCC4)cc3)[nH]2)cc1 8928347 CVSIYNCKXGKVNF-UHFFFAOYSA-N 379.464 3.839 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2N2CCCC2)nnc1-c1ccco1 9912625 MQRXDYVMHSPTHN-UHFFFAOYSA-N 397.504 3.889 0 40 GHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCC1=CCCCC1)S(C)(=O)=O 10361486 GPJYEVUBTSGKCK-OAHLLOKOSA-N 398.956 3.810 0 40 GHAB Cc1ccc(NC(=O)CCn2cnc3sccc3c2=O)cc1C(F)(F)F 10585071 RJNCQTMRLXUCIJ-UHFFFAOYSA-N 381.379 3.814 0 40 GHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)Nc1cccc(F)c1 11612891 DYDWJOZKRHCXQJ-KRWDZBQOSA-N 394.443 3.537 0 40 GHAB O=C(CCc1csc(NC(=O)c2ccco2)n1)NCc1ccccc1Cl 11835264 DAMBJVOCRKFIII-UHFFFAOYSA-N 389.864 3.891 0 40 GHAB CCc1cc(O)n2nc([C@@H]3CCCCN3Cc3c(OC)cccc3OC)cc2n1 12276477 QNWCBNLQTLYSDV-SFHVURJKSA-N 396.491 3.742 0 40 GHAB COc1ccc(CC(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1OC 12348460 FICSSBQCYLVDLS-UHFFFAOYSA-N 388.445 3.512 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H](C)C2)c1 12536221 ZQHTVNWEVPWFQQ-OAHLLOKOSA-N 386.517 3.976 0 40 GHAB CCC(C)(C)NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12549092 BGWNQEFPNYQZCY-UHFFFAOYSA-N 397.928 3.740 0 40 GHAB COc1ccccc1/C=C/C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12777274 GQQJJQDHGOYLMW-RMKNXTFCSA-N 388.349 3.947 0 40 GHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCc3ccccc3C2)cc1 12863771 RDDCUPXUTIGUGY-UHFFFAOYSA-N 394.500 3.591 0 40 GHAB COc1cccc(CNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 13007233 MLXZWAIKJHXZAD-QFIPXVFZSA-N 388.467 3.873 0 40 GHAB Cc1c(Cl)cnc(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1Cl 13095437 CGEXUFIVGOKXLQ-FOSCPWQOSA-N 399.274 3.574 0 40 GHAB CCOC(=O)[C@H](C)Sc1nnc(-c2ccccc2O)n1Cc1ccccc1 13123833 ADMQIRCNQFXFEE-AWEZNQCLSA-N 383.473 3.743 0 40 GHAB CC[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1nc2cc(C)ccc2s1 13572037 TVVJKGFCEPDNLF-LLVKDONJSA-N 384.490 3.780 0 40 GHAB O=C(/C=C/c1nc2ccccc2o1)Nc1cccc(Cl)c1N1CCOCC1 14126700 SKWMKEXUOXBCIE-CMDGGOBGSA-N 383.835 3.970 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)CCOc2ccccc2F)c1C 14252099 SEIARXDTBLQIFG-OAHLLOKOSA-N 390.455 3.529 0 40 GHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H](NC(N)=O)c1cccs1 14383373 BRIAMTXCNNOQLU-ZDUSSCGKSA-N 386.304 3.813 0 40 GHAB CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc2ccccc2o1 15019317 AFPKLEPVWIIKIW-UHFFFAOYSA-N 385.474 3.899 0 40 GHAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1n[nH]c2ccccc12 16237436 YPGYCXCMMZFUEN-UHFFFAOYSA-N 389.484 3.830 0 40 GHAB COC(=O)CSc1nc(C)c(Oc2ccc(Cl)cc2Cl)c(O)n1 18043909 ZGDCDQMYBVUBPW-UHFFFAOYSA-N 375.233 3.855 0 40 GHAB COC(=O)c1cc(CNC(=O)c2ccc(OC)c3ccccc23)ccc1OC 18069460 HBRCKUICISDISF-UHFFFAOYSA-N 379.412 3.574 0 40 GHAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc(O)cc1 18265044 YHOHTGXCXGUZAH-UHFFFAOYSA-N 375.380 3.812 0 40 GHAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)Cc3cccnc3)CC2)C1 19019864 KLNFSLIRSAZDMS-UHFFFAOYSA-N 379.504 3.636 0 40 GHAB Cc1cccc(C2(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)CCOCC2)c1 19654821 DAJIVYRPMVNRBF-QFIPXVFZSA-N 394.515 3.646 0 40 GHAB CCCc1nnc(SCC(=O)Nc2ccccc2Br)n1CC 20033922 PESMVEGDKZMEME-UHFFFAOYSA-N 383.315 3.744 0 40 GHAB COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccccc2C(C)C)CC1 20452839 BMMKQMAKORXLNZ-SFHVURJKSA-N 382.504 3.935 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 20483822 BEHQXIXCIZQDGI-LJQANCHMSA-N 393.487 3.897 0 40 GHAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)N1CCOCC1 20494658 BKXDSBDGLAPBDD-UHFFFAOYSA-N 390.439 3.573 0 40 GHAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(F)cc2)C4)cc1 20671435 KWOSEQGRJNJVQH-HNNXBMFYSA-N 388.402 3.852 0 40 GHAB O=S(=O)(c1cccc2nsnc12)N1CCC[C@H]1c1ccccc1Cl 21150950 XMPXGEAATLBQNO-AWEZNQCLSA-N 379.894 3.871 0 40 GHAB Cc1ccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1C 22273757 XSHDKOVNDWXYPM-UHFFFAOYSA-N 382.485 3.861 0 40 GHAB Cc1ccc2oc(C(=O)O[C@@H](C)C(=O)N3CCCc4ccccc43)cc(=O)c2c1 22613015 IDXHMPSVIMGIAY-HNNXBMFYSA-N 391.423 3.626 0 40 GHAB O=C(NCCc1ccccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1 23140988 NDPFVDRPHFGEPV-UHFFFAOYSA-N 382.489 3.930 0 40 GHAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(-c2ccccc2F)o1 24180339 KCDCISGTXUQYTI-UHFFFAOYSA-N 394.446 3.848 0 40 GHAB CN(C)C[C@@H](NC(=O)/C=C/c1ccc(Br)s1)c1ccccc1 24276708 HDNOSBVNTWLWLS-SLZMIMFISA-N 379.323 3.943 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H](C)Sc2ccccc21 24585097 ILLFMMXPUQLVJT-CQSZACIVSA-N 375.515 3.930 0 40 GHAB COc1ccc(C(=O)C2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1 26132435 XVWYVXQNFZDGGI-UHFFFAOYSA-N 392.455 3.920 0 40 GHAB O=C(OCc1nnsc1Cl)c1ccc(NC(=O)c2cccs2)cc1 27933254 QVXFFCAQJHNDOL-UHFFFAOYSA-N 379.850 3.862 0 40 GHAB CCCCCOc1cc(S(=O)(=O)N2CCCC2)ccc1Br 31904038 JEXUEJMBHWMGGF-UHFFFAOYSA-N 376.316 3.803 0 40 GHAB O=C(NCc1ccco1)c1ccc2c(=O)n(-c3cccc(Cl)c3)cnc2c1 32094728 DWGCVSBWTOFDQM-UHFFFAOYSA-N 379.803 3.562 0 40 GHAB O=C(N[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 32099098 CGUNSQHMOYCPJU-GDMOEJLQSA-N 375.424 3.800 0 40 GHAB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 32125406 QDJHHDXZXMHIPT-UHFFFAOYSA-N 387.530 3.551 0 40 GHAB O=C(COc1ccc(Br)cc1)Nc1ccccc1Cn1cccn1 32832880 CYZJDUKTGXHAPD-UHFFFAOYSA-N 386.249 3.711 0 40 GHAB C/C=C/c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc(OC)c1OC 32841564 CXWHCGFGPOLIFP-GJBLVYBDSA-N 383.444 3.999 0 40 GHAB COc1ccc([C@H](C)NC(=O)CCCn2cnc3c(C)cccc3c2=O)cc1F 32845837 UZWQFUNBSFGOSK-HNNXBMFYSA-N 397.450 3.510 0 40 GHAB CCOC(=O)COc1ccc([C@H](C)NC(=O)c2ccccc2Cl)cc1OC 32916085 ANQZLMNDZDPXDY-ZDUSSCGKSA-N 391.851 3.782 0 40 GHAB COC1=C(OC)S[C@@H]2C3CC([C@@H]2S1)[C@H]1SC(OC)=C(OC)S[C@H]31 33776179 DUOXPULWBZBVCL-SRUFISICSA-N 392.589 3.909 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)no2)c(OC)c1 35319122 PRSORKJSAUUAGQ-QGZVFWFLSA-N 397.406 3.870 0 40 GHAB Cn1nc(NC(=O)Cc2ccccc2Cl)c2c1NC(=O)C[C@@H]2c1ccccc1 35597858 CZQPQJNSQZWOSW-OAHLLOKOSA-N 394.862 3.729 0 40 GHAB Cc1cccc(COc2ccc(CNC(=O)c3cccc(NC(N)=O)c3)cc2)c1 40091096 RANPDZZCHIULQX-UHFFFAOYSA-N 389.455 3.995 0 40 GHAB Cc1cc(CN2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)on1 40098884 HTLXOXSVATXMFD-UHFFFAOYSA-N 390.487 3.924 0 40 GHAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccccc1C(=O)NC1CCCC1 40130283 PDVNRLAEQODCFV-UHFFFAOYSA-N 388.471 3.726 0 40 GHAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1cc2c(cc1Cl)OCCCO2 40132059 HZVZBNJPIYRCKR-UHFFFAOYSA-N 383.835 3.868 0 40 GHAB O=C(Cc1cccc(F)c1)OCc1nc(-c2ccc(Br)cc2)no1 51315143 OZIGXMHDZFBFAF-UHFFFAOYSA-N 391.196 3.924 0 40 GHAB O=C(Nc1cccc(CNC(=O)c2ccccc2OC(F)F)c1)c1ccncc1 55986280 OTJMXKIFZQJASU-UHFFFAOYSA-N 397.381 3.865 0 40 GHAB Cc1cccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3)s2)c1 56934214 FJGMAFIDZBWPAZ-UHFFFAOYSA-N 384.486 3.830 0 40 GHAB Cn1ncc2c1CCC[C@@H]2NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 57430821 NPRKOXSFEQPDSH-LBPRGKRZSA-N 392.937 3.995 0 40 GHAB CCc1cccc(C)c1NC(=O)Cn1c(Nc2cccc(F)c2)nc(C)cc1=O 57506271 JINYMRAQVGEHLZ-UHFFFAOYSA-N 394.450 3.944 0 40 GHAB Cc1ccn2cc(CNC(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)nc2c1 58428545 KJWVWSSFXLAGCY-UHFFFAOYSA-N 388.349 3.953 0 40 GHAB Cc1cc(OCC(=O)N2c3ccccc3C[C@H]2C(N)=O)c(C(C)C)cc1Cl 58429292 AZSNYYZGRDKJGG-SFHVURJKSA-N 386.879 3.594 0 40 GHAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(-c3ccccc3F)o2)c1 58905272 ZBKRTPCZFLVYRV-UHFFFAOYSA-N 388.420 3.555 0 40 GHAB COc1cccc(-c2csc3ncc(C(=O)Nc4ccccc4C)c(=O)n23)c1 64787921 WFPHMQUCZBFZQR-UHFFFAOYSA-N 391.452 3.992 0 40 GHAB Cc1cccc(-n2c(=O)c3sccc3n(Cc3cc(F)cc(F)c3)c2=O)c1 67258144 AEAURBKARHQECL-UHFFFAOYSA-N 384.407 3.849 0 40 GHAB CC(C)(C)OC(=O)NC[C@H](Nc1cncc(-n2cccn2)n1)C1CCCCC1 72275430 SZUBSHZGWMLKFL-INIZCTEOSA-N 386.500 3.548 0 40 GHAB CO[C@H](CNC(=O)[C@H](NC(=O)c1cccs1)C(C)C)c1ccc(Cl)cc1 72296783 OPMQIQVKIGBKCV-NVXWUHKLSA-N 394.924 3.660 0 40 GHAB Cc1cc(-c2cnc(NCCCN3CCOCC3)nc2-c2sccc2C)on1 72337383 ULFLUMSFPJYCNO-UHFFFAOYSA-N 399.520 3.611 0 40 GHAB O=C(CN1CCCC1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349730 GDNKPXBHCKTNTH-LJQANCHMSA-N 381.495 3.613 0 40 GHAB O=c1occ(CN2CCCCC2)c(O)c1CN1CCC(c2ccccc2)CC1 79489058 GQPHEAYVBZWQLW-UHFFFAOYSA-N 382.504 3.711 0 40 GHAB COC(=O)c1c(NC(=O)Cc2cn3ccccc3n2)sc2c1CCCCC2 83891625 ABJFOARPHJZWQI-UHFFFAOYSA-N 383.473 3.633 0 40 GHAB O=C1CCCN1CC[C@@H]1CN(Cc2cc3ccccc3c(=O)[nH]2)c2ccccc21 95945710 CJTSWCNAESTXBB-GOSISDBHSA-N 387.483 3.644 0 40 GHAB COc1ccc(-n2nc(C(=O)Nc3c(C)cnn3-c3ccccc3)cc2C)cc1 95983299 JGTWIVUVWYKKFI-UHFFFAOYSA-N 387.443 3.936 0 40 GHAB Cc1cc(Br)ccc1CC(=O)Nc1ccc(-c2ncn(C)n2)cc1 96011114 KCSUGCIRSLQLDT-UHFFFAOYSA-N 385.265 3.734 0 40 GHAB O=C(Nc1cccs1)O[C@H]1COCCN(c2nc3ccccc3s2)C1 96269054 HCYBGJRBYQPLCB-GFCCVEGCSA-N 375.475 3.812 0 40 GHAB biogenic,in-vitro COc1ccc(-n2nnnc2/C=C\Nc2ccc(OC(F)(F)F)cc2)cc1 100209411 KCOPGVPLJSHLHU-KHPPLWFESA-N 377.326 3.652 0 40 GHAB COc1ccc([C@@H]2CC(=O)[C@H]3C=Nc4ccccc4N[C@H]3C2)c(OC)c1OC 107916082 DXUMWCIVUIPWJB-YEWWUXTCSA-N 380.444 3.972 0 40 GHAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl 158646706 IZTSYLPXJPVHMX-WDEREUQCSA-N 390.313 3.972 0 40 GHAB CCc1ccc(OCC(=O)NCCOc2ccc(C)cc2)c(Br)c1 218864629 QYPYMTUKVQDXRB-UHFFFAOYSA-N 392.293 3.894 0 40 GHAB CCc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 220288098 CZFDRFWDICPKTP-DLBZAZTESA-N 388.533 3.589 0 40 GHAB Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1N1CCCCS1(=O)=O 222574396 DTYHXDYWHVGKED-FQEVSTJZSA-N 398.528 3.732 0 40 GHAB COc1cccc(N(CCCC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c1 222587193 LCSFDDVCGKZITM-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCCOC 223053914 YLAQZOXLBVDTFU-JOCHJYFZSA-N 396.531 3.579 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 223472419 GWLOOGJYJKVGJX-LJQANCHMSA-N 396.531 3.961 0 40 GHAB Cc1ccc(C(=O)N(C)Cc2ccco2)cc1NS(=O)(=O)c1ccccc1 224100179 TYFWXELZGWJJQW-UHFFFAOYSA-N 384.457 3.661 0 40 GHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)c(OC)c1 224793971 ZVBFGSCGWDPDCZ-RBUKOAKNSA-N 381.457 3.869 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1OCc1ccccc1 225261258 HPISGTXENYIGIL-GOSISDBHSA-N 375.424 3.835 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1Cl 225400996 UVWXUUCZEKQCMS-CYBMUJFWSA-N 395.286 3.536 0 40 GHAB O=S(=O)(c1cccc(F)c1)N1CCC(Oc2cccc3cccnc23)CC1 225706669 LHSAQCZABHOMAH-UHFFFAOYSA-N 386.448 3.606 0 40 GHAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2cccc(C(F)(F)F)c2)c1=O 225969342 SXMBJNJPKCURNZ-UHFFFAOYSA-N 396.365 3.657 0 40 GHAB CCCc1cc(C(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C)nn43)CC2)no1 257301287 RXTWZMHIZFUMOK-WKILWMFISA-N 381.480 3.682 0 40 GHAB COc1cccc(CN2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)c1 306134576 NSNAJGBSDAMFQW-DEOSSOPVSA-N 386.499 3.649 0 40 GHAB O=C(c1ccccc1Cl)N(Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408684782 OBDKIFULTRVSIK-IRXDYDNUSA-N 394.858 3.849 0 40 GHAB O=C1N/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1Cc1ccccc1F 409073993 OYAAAUYCSOBYAY-QGOAFFKASA-N 383.423 3.892 0 40 GHAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O 409164376 HSDGORPTYNIEOY-MHWRWJLKSA-N 382.441 3.684 0 40 GHAB COc1ccc2c(ccn2CCCNC(=O)[C@@H](CCSC)n2cccc2)c1 524734533 PCIBHUGERBFWOG-HXUWFJFHSA-N 385.533 3.952 0 40 GHAB O=C(N1CC[C@@H](OCc2cccnc2)[C@H](Cc2ccccc2)C1)C1(F)CCC1 585113527 YURKEMYZBWIAII-NHCUHLMSSA-N 382.479 3.950 0 40 GHAB O=C(N=c1cc[nH]cc1Br)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 626468461 GMHGYZIKVNGMGL-GFCCVEGCSA-N 396.235 3.956 0 40 GHAB Cc1ccc(CN(Cc2cnn3cc(Br)cnc23)CC2CC2)cn1 639284054 ORDVSWUMDZFOTM-UHFFFAOYSA-N 386.297 3.607 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)c2ccccc2)c1)c1noc2c1CCCC2 1131425049 ICJMARMRZHWMGX-UHFFFAOYSA-N 382.441 3.639 0 40 GHAB O=C(CCC1CCCC1)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615154661 GLNKXWYPYIBHGX-QFIPXVFZSA-N 388.483 3.521 0 40 GHAB Cc1cccc(CN2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615155117 KARAURWBHYNIML-HSZRJFAPSA-N 382.479 3.922 0 40 GHAB O=S(=O)(Nc1ccccn1)c1cc(Cl)c(Br)cc1Cl 1775970002 WWGPLTKRQKPASC-UHFFFAOYSA-N 382.066 3.952 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C 658481 WCSSUTKCUJMPJZ-ODXCJYRJSA-N 384.505 3.786 0 40 GHAB COc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 806763 NUJORZBMKGFMNK-LBPRGKRZSA-N 378.350 3.706 0 40 GHAB C[C@H]1CCc2c(sc(NC(=O)COc3ccccc3Cl)c2C(N)=O)C1 1946606 BYCGYYIBTWZBGB-JTQLQIEISA-N 378.881 3.643 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CCC(C)CC1 2310121 MGIVJPMRZPJTOX-ZDUSSCGKSA-N 375.444 3.543 0 40 GHAB COc1ccc(COC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1F 2662501 BFVWRWMTJZQBMG-UHFFFAOYSA-N 396.418 3.628 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(F)cc2F)cc1 3188737 BWHAAJZHNHZCTK-KPKJPENVSA-N 394.443 3.647 0 40 GHAB CCOc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 3246294 KXHIYVMHMHDBMX-JTQLQIEISA-N 383.231 3.971 0 40 GHAB CCn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1ccccc1OC 3367857 TTWKQSQQMSHNBK-UHFFFAOYSA-N 397.456 3.677 0 40 GHAB CCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)s1 4008670 HPHLCRQIWUOJQU-CYBMUJFWSA-N 387.299 3.872 0 40 GHAB CNC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CC[C@@H](C)C2 4326461 VBEJIUWFOBZIBN-LLVKDONJSA-N 396.468 3.591 0 40 GHAB CCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)Cc2ccccc2)cc1 4564988 LWEBEKYLDWIDAZ-IBGZPJMESA-N 376.378 3.787 0 40 GHAB CC[C@@H](Sc1nc(C)c(Cc2ccc(O)cc2)[nH]1)C(=O)Nc1cc(C)on1 4742075 YXGQFUIVVDZAFI-MRXNPFEDSA-N 386.477 3.820 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(Cc2ccc(OC(C)C)cc2)c2ccc(Cl)cc21 4988060 HGAZFMCPZSQDSV-OAQYLSRUSA-N 387.863 3.841 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)o2)cc1OC 5019275 WASMCUXWHILWIF-GXTWGEPZSA-N 391.493 3.541 0 40 GHAB CCOc1ccc(N(C(=O)c2cc(C)cc(C)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 5070923 LMQYXVRUPDKMPC-LJQANCHMSA-N 385.485 3.660 0 40 GHAB Cc1cc(=O)c(C(=O)Nc2ccc3c(c2)CCC3)nn1-c1ccc(Cl)cc1 5405423 QQSAKNAOPBGECP-UHFFFAOYSA-N 379.847 3.935 0 40 GHAB Cc1nc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3)o2)cs1 5833719 LPPUUSVUYKKXNG-VIFPVBQESA-N 378.454 3.684 0 40 GHAB Cc1cc(I)cnc1NC(=O)Cc1ccc(Cl)cc1 6572471 MFTBWXVXTNEFIH-UHFFFAOYSA-N 386.620 3.829 0 40 GHAB COc1ccccc1/C=C/c1nc(S(=O)(=O)c2ccccc2)c(N(C)C)o1 6670446 ZGKYDCGFJSAGJO-BUHFOSPRSA-N 384.457 3.752 0 40 GHAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1CC=C(c2ccccc2)CC1 7550849 PAXOSDPFTJWNDG-UHFFFAOYSA-N 380.517 3.898 0 40 GHAB COc1cccc(-n2c(S[C@@H]3CCCCC3=O)nc3ccccc3c2=O)c1 7802643 JHCWXHAREQSERL-LJQANCHMSA-N 380.469 3.998 0 40 GHAB Cc1cc(C2=NN=C(NC[C@@H]3CCCO3)SC2)c(C)n1Cc1cccs1 7849070 IXPBXSTYRNSSCO-HNNXBMFYSA-N 388.562 3.790 0 40 GHAB CC1CCN(Cc2csc(NC(=O)C[C@H]3OC(=O)c4ccccc43)n2)CC1 8038524 AHOASHJLBDLGHG-QGZVFWFLSA-N 385.489 3.615 0 40 GHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cnn(-c2ccccc2)n1 8133866 YMLXMUWMCNVXAG-UHFFFAOYSA-N 399.458 3.505 0 40 GHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(S(C)(=O)=O)c2)cc1 8231406 YPCXHRROYVAMRN-FQEVSTJZSA-N 387.501 3.856 0 40 GHAB O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc2c(c1)OCCCO2 8313651 YYWZEQVMHYKNKH-IBGZPJMESA-N 393.892 3.931 0 40 GHAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CCSc2ccccc2F)C1=O 8345151 PKZFWVYPNAHRSY-OAQYLSRUSA-N 384.476 3.874 0 40 GHAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(Cl)c2c(c1)OCO2 8429405 HOMLZBPYMPZLGY-UHFFFAOYSA-N 386.835 3.947 0 40 GHAB Cc1ccc(-n2nc(CO)c(C(=O)N[C@H](C)CCCc3ccccc3)n2)cc1C 8613616 LWRADENOURGEKH-GOSISDBHSA-N 392.503 3.518 0 40 GHAB COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccc(C(C)=O)cc3)c(C)c12 9347907 CSOFDUMPYQTSGE-UHFFFAOYSA-N 379.412 3.802 0 40 GHAB Cc1nc2ncnn2c(C)c1CCC(=O)OCc1c(Cl)cccc1Cl 9388188 ZMHYLLVVBCERCO-UHFFFAOYSA-N 379.247 3.724 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccc(C)cc2)c2c(C)cc(C)cc21 9872590 SIPVWLFYYRYKLA-QHCPKHFHSA-N 381.472 3.594 0 40 GHAB CCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC 10037730 JEFYCXAEYUNLBN-UHFFFAOYSA-N 390.867 3.836 0 40 GHAB c1ccc2c(c1)nc(SCCN1CCCCC1)n1nc(-c3ccncc3)nc21 10157690 JGEQKJIUAXCQMV-UHFFFAOYSA-N 390.516 3.918 0 40 GHAB CCOC(=O)c1c(C)oc2ncn(Cc3nc(-c4cccs4)oc3C)c(=O)c12 10721009 KMXFQTMELCFMCW-UHFFFAOYSA-N 399.428 3.548 0 40 GHAB Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)Nc2cc(F)cc(F)c2)cc1 10908805 WIJOUSNWLQOVLU-UHFFFAOYSA-N 399.397 3.785 0 40 GHAB CCCOc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc(C)n1 12224084 SNZSOOQRWYYQGG-UHFFFAOYSA-N 389.887 3.581 0 40 GHAB Cc1cc(NS(=O)(=O)c2cccs2)n(-c2cc(C)c3ccccc3n2)n1 12251411 WQPAZZCKXQXPQV-UHFFFAOYSA-N 384.486 3.900 0 40 GHAB CC(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)s1 12553619 XJSRZXWJTIAFMO-UHFFFAOYSA-N 392.480 3.702 0 40 GHAB Cc1ccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)nc1 12554039 VDGGWZIAVZUKAQ-ZDUSSCGKSA-N 381.379 3.850 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)CNc3ccc(SC(F)F)cc3)ccc21 12592218 KFQXQYRWHWRALW-UHFFFAOYSA-N 391.443 3.961 0 40 GHAB O=C(Cn1nnc2ccccc21)N[C@@H](c1ccc2c(c1)CCC2)c1cccs1 12771772 MJXPGJKXYSCKLM-QFIPXVFZSA-N 388.496 3.887 0 40 GHAB CC(C)(C)c1cc(CCC(=O)N2CCC(C(N)=O)CC2)cc(C(C)(C)C)c1O 12788313 AOUUJIPFSPUNSE-UHFFFAOYSA-N 388.552 3.644 0 40 GHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CNC(=O)c1ccccc1 12807052 CSCSJLCVVKCJRD-UHFFFAOYSA-N 382.847 3.988 0 40 GHAB CC[C@H](C)c1ccccc1OCC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 12907930 RZIPMBFSEWBNKR-LBPRGKRZSA-N 398.488 3.768 0 40 GHAB O=C(Nc1nc(-c2cc3cc(Cl)ccc3o2)cs1)[C@@H]1CCS(=O)(=O)C1 12911139 MKYOJQCWCSSJRS-SECBINFHSA-N 396.877 3.583 0 40 GHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 13004094 WANDCCQCSBXKAC-UHFFFAOYSA-N 385.439 3.521 0 40 GHAB CN(Cc1ccc(F)cc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 13012243 KQSKXOFXVQFKNX-QFIPXVFZSA-N 390.458 3.825 0 40 GHAB Cc1ccc(C(=O)N2CCc3ccccc32)cc1NS(=O)(=O)c1ccccc1 13668851 YZUVUBLQPBADNG-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB O=C(NCCc1ccc(Br)s1)c1ccc(NC(=O)C2CC2)cc1 14198886 XSFBYOVBLDVWOG-UHFFFAOYSA-N 393.306 3.832 0 40 GHAB COc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C(C)=O)c2=O)cc1 14199925 SEUWYVPUEOGCHE-UHFFFAOYSA-N 397.814 3.639 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(F)cc2)c1 15009626 LXYIODACSHQJCO-QZTJIDSGSA-N 397.479 3.740 0 40 GHAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1c(F)cccc1F 15880966 ZSCDZOVPKHFOQF-UHFFFAOYSA-N 387.411 3.533 0 40 GHAB Cc1cc(C)c2nn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=S)n2n1 16777086 NVNXDOHFHOUMSD-UHFFFAOYSA-N 382.276 3.823 0 40 GHAB COc1cccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)c1 17079036 YEOPCWKJOYZTFM-UHFFFAOYSA-N 387.233 3.864 0 40 GHAB CCC(=O)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 19499085 CERLZJMRMFEGHG-UHFFFAOYSA-N 377.423 3.716 0 40 GHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccccn2)C1 19591756 BVETXYIOKUQKSV-HSZRJFAPSA-N 391.540 3.991 0 40 GHAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccc(C(=O)O)c1 20144773 GFRJOEYWSKORKF-UHFFFAOYSA-N 378.222 3.943 0 40 GHAB CC(C)[C@H]1C[C@@](CC(=O)N2CCN(C)CC2)(Cc2ccccc2Cl)CCO1 20625271 CWBQNELCQASBAE-IRLDBZIGSA-N 392.971 3.868 0 40 GHAB O=C(CCNC(=O)NCc1ccccc1)Nc1ccccc1SC(F)F 22186518 SQNWNKNRVVMDBM-UHFFFAOYSA-N 379.432 3.829 0 40 GHAB CCn1c(SCc2nc(-c3ccc(F)cc3)no2)nnc1-c1ccncc1 22739933 HVWJYOFVJWTVGN-UHFFFAOYSA-N 382.424 3.841 0 40 GHAB O=C1CCCc2[nH]c(=O)c(C(=O)N(Cc3cccs3)Cc3cccs3)cc21 24468534 OGLGSHQFCNEOHD-UHFFFAOYSA-N 398.509 3.860 0 40 GHAB CN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1cccc(Cl)c1Cl 26213497 JQCWJZWTVHZJQY-UHFFFAOYSA-N 394.302 3.766 0 40 GHAB Cc1ccc(-c2noc(CCC(=O)NC[C@@H](c3ccco3)N3CCCC3)n2)cc1 27335275 GGAOESKFFNGRNI-SFHVURJKSA-N 394.475 3.524 0 40 GHAB O=C(OCc1nnsc1Cl)c1cccc(NC(=O)c2cccs2)c1 27940546 IFKODOFMBBKCKQ-UHFFFAOYSA-N 379.850 3.862 0 40 GHAB CCOC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(OC)cc2)C1 29922717 UZKBUMYMHUHCKK-QGZVFWFLSA-N 393.487 3.809 0 40 GHAB C[C@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C 30819560 LMRQPSBMLDCJGN-XOBRGWDASA-N 397.471 3.616 0 40 GHAB CCOc1ncccc1CNC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 31325774 RHRDYRURRYKQHW-UHFFFAOYSA-N 382.489 3.909 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)NC(C)(C)c2ccc(Br)cc2)cc1 32475311 CJZHBSAEINEOBF-UHFFFAOYSA-N 396.306 3.865 0 40 GHAB CCCCCCOc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1 32623999 KAGBOAJHCJCNAM-UHFFFAOYSA-N 381.520 3.999 0 40 GHAB CC(=O)N[C@@H](CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C)c1ccc(C)cc1 32879261 BRDBLLIFOIOFSI-UNMCSNQZSA-N 392.503 3.952 0 40 GHAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc(S(=O)(=O)C(F)F)cc1 33214744 ZZBDLBDPWVWWQV-UHFFFAOYSA-N 392.383 3.954 0 40 GHAB CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1ccccc1 35290933 QSCLEYYWCVZPIY-SFHVURJKSA-N 394.500 3.841 0 40 GHAB Cc1cccc(-n2nnnc2C2(Nc3ccc4c(c3)OCCO4)CCCC2)c1 35622754 NGJQSQDGJDJVTP-UHFFFAOYSA-N 377.448 3.623 0 40 GHAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 38855176 IYERNKVQNRIXNH-UHFFFAOYSA-N 390.487 3.878 0 40 GHAB COc1ccccc1CCCNC(=O)C1CCN(Cc2ccccc2C)CC1 39768305 RWXRNKXLBLTYAT-UHFFFAOYSA-N 380.532 3.965 0 40 GHAB COc1ccc(CC(=O)NCc2cccnc2Oc2cccc(F)c2)c(OC)c1 40094221 QEMFEOIQHHBUBM-UHFFFAOYSA-N 396.418 3.889 0 40 GHAB O=C(NCCc1ccc2c(c1)OCO2)[C@H](Oc1ccccc1)c1ccccc1 40131470 PGHFHJAGCRFDMF-JOCHJYFZSA-N 375.424 3.894 0 40 GHAB CC(C)[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)O 40266990 QHBAEZCMZUCPRI-AWEZNQCLSA-N 387.288 3.885 0 40 GHAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)c(Cl)c2)c1=O 40478496 SRRFRZCBVZIURK-UHFFFAOYSA-N 399.878 3.564 0 40 GHAB O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc(Cl)ccc1Cl 44225783 RSDZJSBLKRXSPF-QWHCGFSZSA-N 387.288 3.730 0 40 GHAB O=C(NCCNC(=O)c1nc2ccccc2s1)c1ccc2ccccc2c1 44920894 GDIXPFKYCYVQJL-UHFFFAOYSA-N 375.453 3.609 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 48019890 HUSQLTBMYOSXFR-UHFFFAOYSA-N 384.432 3.689 0 40 GHAB CCC(C)(C)C1CCC(NC(=O)Cn2cc(Br)ccc2=O)CC1 48234676 QGODLARWPKCETN-UHFFFAOYSA-N 383.330 3.722 0 40 GHAB Cc1c(C(=O)NCCc2cccs2)nnn1-c1nc(-c2ccccc2)cs1 49032533 KQVOCXUTWUHBJP-UHFFFAOYSA-N 395.513 3.733 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 57432064 VEAYSYRGQNVMGX-QFIPXVFZSA-N 392.478 3.522 0 40 GHAB COc1cc(CCC(=O)Nc2cc(F)c(F)cc2NC(C)=O)cc(OC)c1 58264410 DFTHOVKDCQLVTG-UHFFFAOYSA-N 378.375 3.512 0 40 GHAB CCc1cc2oc(=O)cc(CN3CCC[C@H](C4OCCO4)C3)c2cc1Cl 69298865 WCAMZMJJTJNYAJ-AWEZNQCLSA-N 377.868 3.594 0 40 GHAB c1cncc(-c2noc([C@@H]3CC34CCN(c3ncnc5ccccc35)CC4)n2)c1 69741483 MBWMDJHAZXDFNH-KRWDZBQOSA-N 384.443 3.849 0 40 GHAB COc1ccc(Cl)c(S(=O)(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)c1 79065752 HMBVBCOTMVULNH-UHFFFAOYSA-N 383.882 3.909 0 40 GHAB COCCn1ccc2cc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)ccc21 85877262 CRXMPMMAEIJQJN-UHFFFAOYSA-N 394.471 3.503 0 40 GHAB biogenic CC(C)[C@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)N1Cc2ccccc2C1=O 95474796 VASLVICRJZXVLW-OAQYLSRUSA-N 393.462 3.646 0 40 GHAB COCCCOc1cc(CNc2cccc(Br)n2)ccc1OC 95945582 UHLXSUBJVYTLNO-UHFFFAOYSA-N 381.270 3.880 0 40 GHAB C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cccc3c2oc(=O)n3C)n(-c2ccccc2)n1 95975769 RGAQPIFFCBRBIF-CJNGLKHVSA-N 388.427 3.693 0 40 GHAB O=C(c1cccnc1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1 96267316 JCELECHGWMIBNC-UHFFFAOYSA-N 398.470 3.888 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)/C=C\c1cccc(C)c1 96578005 SEWMWZLMULPHQD-YFHOEESVSA-N 381.863 3.947 0 40 GHAB COc1cc(CN[C@@H](C(=O)OC(C)(C)C)c2ccccc2)cc2c1OCCO2 97140134 NVRAEJYBGNBMFV-LJQANCHMSA-N 385.460 3.639 0 40 GHAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(c3ccc(C)cc3)[C@@]1(C)Oc1ccccc12 100029644 PSQLDKTWHXXTDB-LQWHRVPQSA-N 382.485 3.719 0 40 GHAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(c2ncnc3c2[nH]c2ccc(Cl)cc23)C1 100748290 XDQAALVUSWITTP-CHWSQXEVSA-N 391.862 3.550 0 40 GHAB Cc1cc(O[C@H]2CCN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)cc(=O)o1 206965296 OSJONMFCOQPXQP-INIZCTEOSA-N 395.377 3.580 0 40 GHAB Cc1ccc(C)c(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1 222837426 GCVOIFKXASKCFC-UHFFFAOYSA-N 396.512 3.539 0 40 GHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3C)ccc21 223111018 JYONSMSJSIGWIN-UHFFFAOYSA-N 385.489 3.893 0 40 GHAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 223477725 XGJIIGMGUALQLR-UNMCSNQZSA-N 398.478 3.601 0 40 GHAB CC(C)c1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(F)cc3)n2)cc1 223633755 HECCGGZLSPTILM-UHFFFAOYSA-N 389.452 3.619 0 40 GHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccco3)c2)c1 224488179 PMIUTBFYOIIAIY-UHFFFAOYSA-N 398.484 3.685 0 40 GHAB CC(C)c1ccccc1N(CCCC(=O)NCC1=CCCCC1)S(C)(=O)=O 224838572 GITWNWCBNZQNHV-UHFFFAOYSA-N 392.565 3.973 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 224951567 UTOUDNLDBVVORW-CQSZACIVSA-N 375.490 3.810 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 225456211 WBSCECHFCYEZHV-ROUUACIJSA-N 384.495 3.743 0 40 GHAB CO[C@@H](CNC(=O)COc1cccc2c1OC(C)(C)C2)c1ccc(Cl)s1 225703366 ZTACHIHVSWPGOP-AWEZNQCLSA-N 395.908 3.998 0 40 GHAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1cc2c(cc1OC)CCCC2 225818672 NJPUZMSZMZFBFU-IBGZPJMESA-N 394.581 3.507 0 40 GHAB Cc1cccc(Nc2cccc(C3CCN(C(=O)c4cn(C)nc4C)CC3)n2)n1 257238184 HJXUPISSMUMOBQ-UHFFFAOYSA-N 390.491 3.590 0 40 GHAB O=C(Cc1ccco1)N1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 306138876 SJXONXUVTWSPOF-INIZCTEOSA-N 392.484 4.000 0 40 GHAB O=S(=O)(NCc1nc(C2CCCCC2)cs1)c1ccc2c(c1)CCO2 390830299 KBLNAVJOFCOGNU-UHFFFAOYSA-N 378.519 3.604 0 40 GHAB Cc1ccc(-c2nnc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408713978 FJLXLVMBBPATCR-UHFFFAOYSA-N 377.853 3.519 0 40 GHAB CCCCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 409120840 VCFBFVMOQAJYKN-UHFFFAOYSA-N 388.533 3.723 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1 409207711 YAQDIYORJOTPPD-UHFFFAOYSA-N 380.897 3.598 0 40 GHAB CN(C)[C@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)c1cc2ccccc2o1 575622149 WPEHAOKDQMTNOC-MRXNPFEDSA-N 396.871 3.807 0 40 GHAB COc1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)cc1N1CCCC1=O 581347746 VFWUZVDEFKQHSC-FQEVSTJZSA-N 394.475 3.832 0 40 GHAB Fc1cccc2nc(CN3CCCC[C@@H]3c3nnc(C4CCOCC4)o3)[nH]c12 583621736 DNRPGGJXGABCLC-MRXNPFEDSA-N 385.443 3.706 0 40 GHAB Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3cn(C)cn3)cs2)cc1 585293989 CJGNTWPTKGEAIU-GOSISDBHSA-N 381.505 3.774 0 40 GHAB O=C(NCC1(OCCO)CCSCC1)C1(c2ccc(Cl)cc2)CCCC1 828765414 NRJNLJUQKRVXRL-UHFFFAOYSA-N 397.968 3.543 0 40 GHAB O=C(N[C@@H](CO)[C@@H](O)C1CCCCC1)c1ccc(-c2ccc(F)cc2)cc1F 1169415556 PFFCGLBKFMSTRA-SFTDATJTSA-N 389.442 3.664 0 40 GHAB O[C@H]1CCN(Cc2cccs2)CCCCCc2cc(F)ccc2OC[C@H]1O 1615162567 ZDBANSPRAHPSSM-VQTJNVASSA-N 393.524 3.607 0 40 GHAB FC(F)(F)c1ccc(N2C[C@@H]3[C@H](CCN3c3cnc4ccccc4n3)C2)nc1 1889205675 HTARWQONNPXTKO-CXAGYDPISA-N 385.393 3.759 0 40 GHAB COc1ccc(OC)c(NC(=O)COc2ccc(Br)c(C)c2)c1 723677 LLKBVAJQJBJDJU-UHFFFAOYSA-N 380.238 3.792 0 40 GHAB CC(C)OC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccccc1 916195 SECJVXCOQWWTLQ-UHFFFAOYSA-N 397.500 3.949 0 40 GHAB CCOC(=O)c1cnc(S[C@H](C)C(=O)Nc2cccc3ccccc23)nc1N 862080 INSXYUHOIFRDEK-GFCCVEGCSA-N 396.472 3.508 0 40 GHAB O=C(NCCCCCCNC(=O)c1cc2ccccc2oc1=O)c1ccccc1 3109474 KHQDXAFPIVCAEC-UHFFFAOYSA-N 392.455 3.513 0 40 GHAB Cc1cc(=O)c(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)nn1-c1ccccc1F 25144416 HRSFOBQPTZWTGX-QWHCGFSZSA-N 397.372 3.531 0 40 GHAB CC[C@@H](CO)NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 4139847 IASAZPVIHDOTBO-LSDHHAIUSA-N 381.303 3.823 0 40 GHAB CN1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn23)CC1 4980531 DOUNTZRJQAOSLE-UHFFFAOYSA-N 387.462 3.954 0 40 GHAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 1439294 UTEVONOFVKEWCK-SFHVURJKSA-N 394.471 3.978 0 40 GHAB COc1ccc(-c2cc(C)nc(SCc3nc4ccccc4[nH]c3=O)n2)cc1 6412831 ALTIVBJZGVDJGO-UHFFFAOYSA-N 390.468 3.989 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)NC34CC5CC(CC(C5)C3)C4)CC2=O)cc1 6530269 MYRQGQAOWHCSBR-QCYTXABWSA-N 382.504 3.523 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccccc1Br 6651963 JLILVRSYUAJWRW-LBPRGKRZSA-N 389.249 3.592 0 40 GHAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c(OC)c1 7720558 PMIQVEMEHWINQI-UHFFFAOYSA-N 387.823 3.679 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 7928300 DMAWUHIUDRITGY-SFHVURJKSA-N 394.471 3.862 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c(C)c1 7940006 ZKPANCYDBMNPFM-UHFFFAOYSA-N 394.349 3.600 0 40 GHAB CNCCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 8376993 GSYAKLLWLWVVSC-UHFFFAOYSA-N 381.289 3.866 0 40 GHAB Cc1ccccc1-n1ccnc1S[C@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2 26047113 QEOFOGQMJDVEKH-CQSZACIVSA-N 393.468 3.875 0 40 GHAB CSc1nnc(CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)s1 58378596 YJRBVTCOHABEDN-GOSISDBHSA-N 390.534 3.525 0 40 GHAB O=C(CSCC(=O)N[C@H]1CCCC[C@H]1Cc1ccco1)Nc1ccccc1 59461548 TZRLBMOUNPNAHH-LPHOPBHVSA-N 386.517 3.869 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1C 59488511 GBONSAGITVPHCY-INIZCTEOSA-N 385.847 3.736 0 40 GHAB CCOc1ccc([C@@H]2C[C@H](c3ccc(OCC)cc3)Nc3nc(N)nn32)cc1 2472251 OUHDPOLNKRTPMQ-MOPGFXCFSA-N 379.464 3.804 0 40 GHAB O=C(CS(=O)(=O)c1ccc(Cl)s1)Nc1ccccc1C(F)(F)F 11666488 SJIUXMGZIUNWIL-UHFFFAOYSA-N 383.800 3.833 0 40 GHAB CC[C@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 107735226 YXVDUHMJCISMEW-HNNXBMFYSA-N 394.924 3.758 0 40 GHAB CCn1c(=S)n(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c2ccccc21 29543415 AEMUAGFJMUOTGT-KRWDZBQOSA-N 399.516 3.716 0 40 GHAB COc1ccc(CCNC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)cc1 2637461 RINOYVRACFXNEF-OAQYLSRUSA-N 382.504 3.507 0 40 GHAB CCCN(CCC)Cn1nc(-c2ccncc2)n(CCCOCC)c1=S 3262238 CSFNFPVIXWZCDN-UHFFFAOYSA-N 377.558 3.982 0 40 GHAB COc1ccc(CNC(=O)c2cnc(Nc3nc4ccccc4o3)nc2C)cc1 10157580 IOBOPPGHPGCWMS-UHFFFAOYSA-N 389.415 3.608 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10368531 MPXDZEIWXJKVLK-QGZVFWFLSA-N 388.533 3.967 0 40 GHAB NC(=O)c1ccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)cc1 12771362 BDQBQSTWARGQGJ-UHFFFAOYSA-N 387.277 3.999 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OC)cc1 3303866 PLEFGYJHMMFWOF-UHFFFAOYSA-N 386.267 3.657 0 40 GHAB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)N[C@@H]1CCCc2ccccc21 48373920 MNCMPYSZPLITKX-LJQANCHMSA-N 377.444 3.535 0 40 GHAB COCCOc1cccc(CNC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 48366419 CTMJNDKZCQLSIK-UHFFFAOYSA-N 384.259 3.957 0 40 GHAB O=C(NCc1ccccc1F)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12804147 CJPVBULSANQKHW-LZGZYFLISA-N 384.495 3.649 0 40 GHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1ccc(Br)cc1 3600560 LVOKUCTVBFBMBH-LJQANCHMSA-N 385.261 3.733 0 40 GHAB O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2ccc3c(c2)CCC3)cs1 13007953 QFVPATGLTACJBI-UHFFFAOYSA-N 396.493 3.644 0 40 GHAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(C(=O)N(C)C)c1 22509659 CHTPXWDXBIHFCW-LBPRGKRZSA-N 391.265 3.557 0 40 GHAB Cn1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1 64419305 BMQKDALWWXNUOP-UHFFFAOYSA-N 375.407 3.593 0 40 GHAB C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2cccc(Br)c2)C1=O 4288868 VZDBZEGVJGJQCI-IBGZPJMESA-N 387.277 3.892 0 40 GHAB COCc1c(C(=O)NC[C@H](c2ccccc2OC)N(C)C)oc2ccccc12 14202133 UDROXFPQTJVGFB-GOSISDBHSA-N 382.460 3.621 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(C)cc1 4734757 MOCHKQGWIVBOBA-FQEVSTJZSA-N 377.444 3.823 0 40 GHAB O=c1[nH]c(-c2cc(Br)cc(Br)c2O)nc2ccccc12 4735034 UZFLRKAIHSICRL-UHFFFAOYSA-N 396.038 3.821 0 40 GHAB CCOc1ccc(CN(C)CC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 6879748 WBOGWHHXVUULPZ-UHFFFAOYSA-N 382.504 3.771 0 40 GHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCCOc1cccc(Cl)c1)(C3)C2 15280520 WYMUZBIARFUMHY-XBLGPDGASA-N 391.895 3.737 0 40 GHAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(OC)cc4)cs3)ccc21 7641157 DXJJVZGQTGWGFJ-UHFFFAOYSA-N 379.445 3.836 0 40 GHAB O=C1Cc2cc(C(=O)CSc3nnc(C4CC4)n3-c3ccccc3)ccc2N1 7737736 BTYVJZHOHDXNMZ-UHFFFAOYSA-N 390.468 3.614 0 40 GHAB O=C(COc1ncnc2ccc(Br)cc12)NCCC1=CCCCC1 7975981 BEAUBFQTESRIHK-UHFFFAOYSA-N 390.281 3.778 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)[C@@H]1COc2ccc(Cl)cc2C1 8012103 DPGBQSQNXNILFX-IBGZPJMESA-N 384.907 3.803 0 40 GHAB CC[C@@H](NC(=O)c1nn(C)cc1Br)C12CC3CC(CC(C3)C1)C2 8326967 KAYCJKNHUVVZEZ-CHGJFTSJSA-N 380.330 3.907 0 40 GHAB Cn1nc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c2ccccc2c1=O 8326526 LHRKZPAILMNIJK-SFHVURJKSA-N 393.443 3.654 0 40 GHAB C[C@@H](Nc1nc(Nc2ccccc2F)nc(Nc2ccccc2F)n1)C(=O)O 8569832 VJDJUEYXSZXYNP-SNVBAGLBSA-N 386.362 3.522 0 40 GHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 22517482 SBQZDBXBSGJZRT-HXUWFJFHSA-N 388.895 3.855 0 40 GHAB COc1ccc(Nc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1 8721151 PQNAOSAJGILDGT-UHFFFAOYSA-N 397.489 3.558 0 40 GHAB O=C(N[C@@H](CO)c1ccc(Cl)c(F)c1)c1ccc(Br)s1 95993422 ZGMHVVNERBABTA-JTQLQIEISA-N 378.650 3.767 0 40 GHAB O=S(=O)(c1ccc2ccccc2c1)N1CCO[C@@]2(CCc3ccccc32)C1 513020910 WCJNLNWVVZCRSN-QFIPXVFZSA-N 379.481 3.702 0 40 GHAB O=C(NCCSCc1c(F)cccc1Cl)[C@H]1COc2ccccc2O1 409027697 PCTBSIGSKMJQJA-QGZVFWFLSA-N 381.856 3.669 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2ccnc(Nc3cnccn3)n2)C1 72377548 ZLIKTWZXYDPOGB-HNNXBMFYSA-N 394.866 3.683 0 40 GHAB CCOC(=O)C1=C(C)N=C(SC(C)C)N[C@H]1c1ccc(OC)cc1OC 33746678 UHHIMUYNOHBSLS-KRWDZBQOSA-N 378.494 3.683 0 40 GHAB CSc1nc(C)c(CCC(=O)NCc2ccccc2CN2CCCC2)c(C)n1 8012956 HYZBDOMTHHRNJF-UHFFFAOYSA-N 398.576 3.660 0 40 GHAB CC1=Nc2c(c(C)nn2-c2ccc(S(N)(=O)=O)cc2)[C@@H](CC(C)C)S1 79494052 ZQVULZLXWBJMIC-OAHLLOKOSA-N 378.523 3.712 0 40 GHAB O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 562610764 IRDNTSGBFUBNDY-LYIQGSDWSA-N 390.308 3.724 0 40 GHAB Cc1nc2ccccc2n1CCOC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 40157139 HWUNVKUXJPKDFQ-VOTSOKGWSA-N 384.819 3.983 0 40 GHAB COc1ccc2[nH]cc(C3=CCN(CCn4c(=O)oc5ccccc54)CC3)c2c1 47257226 RDETXKQLDDCOQP-UHFFFAOYSA-N 389.455 3.874 0 40 GHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222863715 RUXAIBWBRWSBHN-MRXNPFEDSA-N 386.467 3.537 0 40 GHAB COC(=O)c1ccc(C)c(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)c1 225740077 XQFUTTJJSJRDTI-INIZCTEOSA-N 397.544 3.909 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(C)cc1 225159942 KQBIIJDVSUVIFV-HXUWFJFHSA-N 398.528 3.724 0 40 GHAB O=S1(=O)CCCN1c1cc(N[C@H]2CCC[C@@H](c3cccnc3)C2)ccc1F 569744445 MZDGNVCKOIPSFD-WBVHZDCISA-N 389.496 3.899 0 40 GHAB Cc1ccccc1CSCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223839184 OIPRIOAKGJDXCQ-HNNXBMFYSA-N 377.531 3.509 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1C 224097235 WKTRSUXJVYMUSI-HXUWFJFHSA-N 396.531 3.872 0 40 GHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 47156264 JWMAKFKZUWGCLA-INIZCTEOSA-N 380.469 3.978 0 40 GHAB COc1cc(OC)cc(-c2noc(-c3nnn(-c4ccc(F)c(C)c4)c3C)n2)c1 49001930 DBQJYZYTLSAQQZ-UHFFFAOYSA-N 395.394 3.757 0 40 GHAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 223624979 IDUASIWKDKXMTI-NHCUHLMSSA-N 392.528 3.536 0 40 GHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(OC)c(OC)c1OC 222963300 QUKMEFQKOFUYLW-QGZVFWFLSA-N 387.476 3.803 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(CC)cc1 222976548 IGYQLPBGKBIUHU-QGZVFWFLSA-N 384.495 3.874 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C 224657979 CMIOOEXYSIDWKU-LJQANCHMSA-N 382.504 3.626 0 40 GHAB CC(C)N1c2sc(-c3ccccc3)nc2C[C@H]1C(=O)NCc1ccncc1 96264433 GKJDRWBQFPEISK-SFHVURJKSA-N 378.501 3.661 0 40 GHAB O=C(c1cccc(F)c1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 96113173 ANFOMACKVXKLIK-QGZVFWFLSA-N 383.341 3.765 0 40 GHAB biogenic,in-vitro CCCCN(CC)C(=O)c1ccn(-c2ccc3ccc(-c4cnn(C)c4)cn23)n1 96038114 KHKSMKFKVOEOHW-UHFFFAOYSA-N 390.491 3.788 0 40 GHAB COc1ccc(CC(=O)N2CCn3c(cc4ccccc43)C2)cc1OC(F)F 529411442 JEFMSIXSJPJPCE-UHFFFAOYSA-N 386.398 3.836 0 40 GHAB C[C@@]1(O)CCN(Cc2nccs2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 604383059 BEICENCZGUBVBP-JAXLGGSGSA-N 399.560 3.516 0 40 GHAB biogenic,in-vitro Cc1cccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1C 242792505 FANRMACCDBTEDF-UHFFFAOYSA-N 384.860 3.501 0 40 GHAB Cc1ccnc([C@@H]2COCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257230662 GDIHENDVZBCZNM-NRFANRHFSA-N 389.455 3.724 0 40 GHAB COc1ccc(-c2cc(C)nc(SCC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1 250969199 SUYCHZBVFFOLCS-QOKNQOGYSA-N 383.517 3.858 0 40 GHAB COc1cccc(C2(NC(=O)NCc3noc(-c4cccc(F)c4)n3)CCC2)c1 665913574 PMPPTFNCJOOWTJ-UHFFFAOYSA-N 396.422 3.763 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2CNN(c3ccc(Cl)cc3)C2=O)cc1Cl 1740818256 PKTLALBGYOHKAQ-LBPRGKRZSA-N 378.259 3.798 0 40 GHAB Cc1cc(C)n(S(=O)(=O)c2cc(Cl)c(Br)cc2Cl)n1 1614622388 LVCRLRLWYILGSH-UHFFFAOYSA-N 384.082 3.806 0 40 GHAB Cc1ccc(NC(=O)NCCNc2cc(Nc3ccccn3)nc(C)n2)c(C)c1 90608004 CXUVIJCEKSAONC-UHFFFAOYSA-N 391.479 3.774 0 40 GHAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccc(Cl)cc1F 1664379064 NTTOLMVJTZEVKL-KRWDZBQOSA-N 379.840 3.644 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(-c4ccoc4)nc3)CC2=O)cc1C 390830571 LXIJMJSQTDCAEA-IBGZPJMESA-N 389.455 3.628 0 40 GHAB C[C@@H]1CCC[C@H](CNC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)C1 56817541 AQGOIKAJVMWIJQ-AEFFLSMTSA-N 389.515 3.690 0 40 GHAB CCCc1ccc([C@H](NC(=O)Cn2c(=O)cnc3ccccc32)C(C)C)cc1 39983282 YSNQBHYADMUYGN-HSZRJFAPSA-N 377.488 3.863 0 40 GHAB Cn1cnc2cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)ccc21 677050547 XCDQKNCNXSQYFQ-HXUWFJFHSA-N 382.895 3.794 0 40 GHAB CCCn1cc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)cn1 1615153087 AGCVRMATVICYSM-UZLBHIALSA-N 384.499 3.952 0 40 GHAB CC(C)c1ccc(CN2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cc1 1615131933 UYHATKONHGEDNH-HSZRJFAPSA-N 382.479 3.957 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(F)cc1 5455397 NZDXOWJYMXDYEK-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB Cc1cc(C)n(C[C@@H](O)CN(Cc2ccc3ccccc3n2)Cc2ccco2)n1 12147980 LWANSBJSVREFDX-NRFANRHFSA-N 390.487 3.704 0 40 GHAB Cc1nc2c(C)cccc2cc1C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N(C)C 12203763 XDHLYGAUNGUPCT-IBGZPJMESA-N 391.471 3.613 0 40 GHAB CSc1nc2nc(C)c(CC(=O)Nc3c(C)cc(C)cc3Cl)c(C)n2n1 12889844 FTFQBLFRPKPFSL-UHFFFAOYSA-N 389.912 3.914 0 40 GHAB O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCCN(Cc3cccnc3)[C@H]2C1 13265844 LWCWNGGBTXRTCN-MJGOQNOKSA-N 389.421 3.837 0 40 GHAB Cc1cccc(CSCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 16109034 HFGQJPUNKIAIJF-HNNXBMFYSA-N 377.531 3.509 0 40 GHAB O=C(NC[C@H]1CCC[C@@H](CNC(=O)c2cccc(F)c2)C1)c1cccc(F)c1 16399123 NBKWVIQOSKPASS-IYBDPMFKSA-N 386.442 3.931 0 40 GHAB CCN(CCNC(=O)c1cc(Cl)c(OC)c(OC)c1)c1cccc(C)c1 17841139 DNHIUUDVTYWRCC-UHFFFAOYSA-N 376.884 3.922 0 40 GHAB CC(C)Cc1cc(CNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)on1 19447508 QSPPSSMYKIEVRN-UHFFFAOYSA-N 394.475 3.640 0 40 GHAB COc1ccc(CN2CCC[C@@H]2c2nc(O)cc(-c3ccccn3)n2)c(OC)c1 19552312 FUBBGAJLYWYARD-LJQANCHMSA-N 392.459 3.599 0 40 GHAB Cc1cc(-c2cncnc2)cc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)n1 19691008 JGNUBAJJISKTQC-OAQYLSRUSA-N 392.434 3.729 0 40 GHAB CCCOc1ccccc1-c1cc(C(=O)Nc2n[nH]c3nc(C)ccc23)[nH]n1 19715591 DBCVGLOMBXQAMV-UHFFFAOYSA-N 376.420 3.698 0 40 GHAB CN1CCC(N(C)C(=O)C2(Cc3ccc4ccccc4c3)CCOCC2)CC1 643551056 VWIHMUGLKONIDM-UHFFFAOYSA-N 380.532 3.732 0 40 GHAB O=C(CCn1c(C(F)(F)F)cc2cccnc21)N1CC[C@]2(O)CCCC[C@@H]2C1 12089729 MZYROFZIEGTTBV-DNVCBOLYSA-N 395.425 3.599 0 40 GHAB O=C(Cc1c(F)cccc1Cl)NCC1CCN(C2CCSCC2)CC1 245053652 PETYFWMNDMOWKY-UHFFFAOYSA-N 384.948 3.745 0 40 GHAB CCc1c[nH]c2ncnc(NC[C@H](O)COc3cccc(Cl)c3Cl)c12 1655032991 CKVMIQAVTLTPCW-NSHDSACASA-N 381.263 3.679 0 40 GHAB Cc1csc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)n1 3562012 BMLOPZQFKJVDTD-UHFFFAOYSA-N 399.925 3.532 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)NCc1cccnc1 15422993 JBXYCDPFDWORPI-MDZDMXLPSA-N 380.879 3.926 0 40 GHAB C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 24828983 JVTITTFEAPWZAA-JENIJYKNSA-N 397.494 3.742 0 40 GHAB Cc1noc(-c2ccc(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)cc2)n1 25613371 RSWGZYYFNUGMBA-UHFFFAOYSA-N 385.427 3.851 0 40 GHAB CCOc1ccc(-n2ccnc2SCC(=O)NCc2ccc(F)cc2)cc1 2723231 DRCBVBYVEBHZAR-UHFFFAOYSA-N 385.464 3.819 0 40 GHAB CCc1ccc(-c2csc(NC(=O)CSCC(=O)N3CCCC3)n2)cc1 4105530 IPNFDJJQULSXQG-UHFFFAOYSA-N 389.546 3.667 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2csc3c2CC[C@H](C)C3)c1 4539939 PPFYCRIHTKETED-NSHDSACASA-N 387.457 3.698 0 40 GHAB NC(=O)c1c(NC(=O)CSc2ccc(F)cc2)sc2c1CCCCC2 5192402 KMKQHGIKWSZSLB-UHFFFAOYSA-N 378.494 3.986 0 40 GHAB Clc1cccc2sc(N3CCCN(c4ccc5nccn5n4)CC3)nc12 2086868966 KCHMYYIKKSXNNM-UHFFFAOYSA-N 384.896 3.709 0 40 GHAB COc1ccc([C@@H]2CCCCN(C(=O)c3cnn(-c4ccccc4)n3)C2)cc1 206882380 GUWKETRHSIKVSE-GOSISDBHSA-N 376.460 3.686 0 40 GHAB CCCc1ccc(CN2CC[C@]3(COCc4cnc(NC5CC5)nc43)C2)cc1 503723521 PUAWSDIXQLUCEF-HSZRJFAPSA-N 378.520 3.677 0 40 GHAB O=C(Nc1cccc(N2CCNC2=O)c1)c1occc1COc1ccccc1 40108562 FELOJZPENHLKJS-UHFFFAOYSA-N 377.400 3.641 0 40 GHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 31794349 CUHBTKGREVJSAL-GJZGRUSLSA-N 379.485 3.869 0 40 GHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1c(F)cccc1Cl)CC(O)=N2 20732409 OKDXYXIYBDOWAN-SECBINFHSA-N 397.801 3.763 0 40 GHAB O=C(Nc1cccc(Br)c1)c1c[nH]c2cc(F)cc(F)c2c1=O 32608153 DAIVQFYWPWOKSM-UHFFFAOYSA-N 379.160 3.821 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3ccc(OCC(=O)c4ccccc4)cc3)C(=O)[C@@H]2C1 102553844 FLWMRVNWDBWABL-VQTJNVASSA-N 375.424 3.794 0 40 GHAB CC[C@H]1c2ccsc2CCN1CC(=O)N[C@H](C)c1cc(OC)ccc1OC 103920441 XLJRWYJSYDZHKH-KDOFPFPSSA-N 388.533 3.952 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1 850434 HFONCKYFBVDNPW-UHFFFAOYSA-N 392.249 3.952 0 40 GHAB O=C(NCc1ccccc1Cl)/C(=C\c1cccnc1)NC(=O)c1ccccc1 823135 QPZRLLDYQHPDIZ-DEDYPNTBSA-N 391.858 3.822 0 40 GHAB Cc1nc(C2(NC(=O)/C=C/C3=Cc4cc(Cl)ccc4OC3)CCCC2)no1 42698348 VJHUYLIJJQIJMZ-QPJJXVBHSA-N 385.851 3.949 0 40 GHAB CCOc1ccccc1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 1336803 XLJOFEAIJMMSRX-UHFFFAOYSA-N 395.455 3.592 0 40 GHAB COc1ccc(NC(=O)CCCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 2225140 XYJDLEVXXXAKAG-UHFFFAOYSA-N 397.431 3.724 0 40 GHAB O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)NC1CCCCC1 2260169 LKXLMWBPWDOYDN-UHFFFAOYSA-N 375.472 3.903 0 40 GHAB CCOC(=O)c1cccc(C(=O)c2ccc(I)cc2)c1 2392611 VQGUWISMOPWHSG-UHFFFAOYSA-N 380.181 3.699 0 40 GHAB CCCCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc1 2725015 RPGDTZJXUVLGGI-MHZLTWQESA-N 389.521 3.832 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)/C=C/c1cccc(Cl)c1 3297927 ZZRXTAYGGQAGKL-CMDGGOBGSA-N 389.835 3.901 0 40 GHAB COc1ccc(C(=O)COC(=O)[C@H]2[C@@H](C(=O)c3ccccc3)[C@H]3CC[C@@H]2C3)cc1 4179268 LAMSTBQZIAOBPC-GKJHBJHPSA-N 392.451 3.966 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2[C@@H]3NC(=S)N(C)[C@@]2(C)Oc2ccccc23)c(C)c1 4185319 FMEGMANQLUEYOL-UEXGIBASSA-N 381.501 3.528 0 40 GHAB C[C@H](NC(=O)CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 4746752 VYTGQOFEYQMTCH-SFHVURJKSA-N 397.494 3.522 0 40 GHAB Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1S(=O)(=O)N1CCCCC1 4979894 RDYIGSIWSLRCNQ-UHFFFAOYSA-N 394.443 3.700 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c1C 5257310 FGPSAXNJSCUXDN-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB CCc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)s1 5330139 WQPMLAADYARSEH-UHFFFAOYSA-N 378.519 3.937 0 40 GHAB O=c1cc(CSc2nnc(-c3cccs3)n2C2CC2)nc2sccn12 5358948 XMCVOPVEIYBIRN-UHFFFAOYSA-N 387.515 3.703 0 40 GHAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc(Br)ccc1Cl 5652397 QLSMKMBKVHWCID-IINYFYTJSA-N 388.689 3.954 0 40 GHAB C[C@@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)C12CC3CC(CC(C3)C1)C2 6286776 YDGCFOIFJORAEW-KWJFTMPMSA-N 380.488 3.675 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 6786415 OOOSVUBVEDKPFH-HILYYZTDSA-N 375.534 3.733 0 40 GHAB COc1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)c1 6787499 ASNOIHOEIJVDLV-UHFFFAOYSA-N 375.421 3.818 0 40 GHAB COc1cc([C@@H]2NC(SC)=NC(C)=C2C(=O)Nc2ccccc2)ccc1O 6849101 BSRGOBJSCRVISA-SFHVURJKSA-N 383.473 3.677 0 40 GHAB O=C(COc1ccccc1)NC(=S)Nc1nc2ccc(Cl)cc2s1 6885400 CDKJNDUPSRKTGN-UHFFFAOYSA-N 377.878 3.842 0 40 GHAB O=C(CSC1=Nc2ccccc2[C@@H]2CC=NN12)Nc1ccc2c(c1)OCO2 6890517 UFCYGELOJNKDTC-HNNXBMFYSA-N 380.429 3.521 0 40 GHAB C[C@@H](Sc1nc2sccc2c(=O)n1-c1ccccc1)C(=O)N1CCCC1 6907488 GXPIDZAJSRAOLL-CYBMUJFWSA-N 385.514 3.550 0 40 GHAB COc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(C(=O)O)cc2)cc1 6953218 WTCVLJXQUVYWHJ-SSZFMOIBSA-N 387.395 3.730 0 40 GHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cnn(-c2ccccc2)n1 7734893 NAPXUKICXYLCJC-UHFFFAOYSA-N 399.458 3.505 0 40 GHAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(c2ccccc2O)CC1 8161591 JACBTRYRWRDAJU-UHFFFAOYSA-N 398.466 3.694 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CSc3ccc(F)cc3F)CC2)cc1 9156139 DCUFJRWZLDLWFY-UHFFFAOYSA-N 390.455 3.608 0 40 GHAB C[C@]1(CN2C(=O)c3ccccc3C2=O)Nc2ccccc2C(=O)N1c1ccccc1 9477666 AZPOIGLUGPSVBR-DEOSSOPVSA-N 397.434 3.771 0 40 GHAB O=C(CSc1nnc2n1CCN2c1ccccc1)N1CCCc2ccccc21 9573887 KCDFLJOJDQKHGD-UHFFFAOYSA-N 391.500 3.501 0 40 GHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc(F)c2)n2ncnc2N1 9584346 JCQDSXJSKIYTDO-IBGZPJMESA-N 377.423 3.962 0 40 GHAB COc1cc(CNC(=O)c2cc(Cl)nc3ccccc23)cc(OC)c1OC 9887984 YQZUAEJHMJAAAJ-UHFFFAOYSA-N 386.835 3.844 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)n1 10322985 HTHQNLLVRFVHHS-UHFFFAOYSA-N 390.852 3.545 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(I)c1 10410823 NHXAOMJJENYUEV-UHFFFAOYSA-N 395.196 3.591 0 40 GHAB Cc1cc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)ccc1N1CCCC1=O 10751601 OGAHJEYSVLDBDN-OAQYLSRUSA-N 381.451 3.693 0 40 GHAB Cc1ccc(NC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)cc1Cl 11997086 ACGGYTQOWGYNIC-CQSZACIVSA-N 395.912 3.580 0 40 GHAB Cc1ccc2c(CCN3CCC(O)(Cn4cnc5ccccc54)CC3)c[nH]c2c1 12135370 SUSYKIXUBPSTMC-UHFFFAOYSA-N 388.515 3.896 0 40 GHAB CCN(CC)c1ccc(C(=O)OCc2nc(-c3ccccc3OC)no2)cc1 12536558 NRSREYJRADLFFJ-UHFFFAOYSA-N 381.432 3.948 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2ccccc2N2CCOCC2)c1 12543372 QNNHKFVAAVRMAI-UHFFFAOYSA-N 396.531 3.992 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c1 12757718 YOVBPTITWOALFN-LSDHHAIUSA-N 397.471 3.958 0 40 GHAB Cc1cc(C)cc(C(=O)NCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 12759520 YNCGLZCZSVLUHD-HNNXBMFYSA-N 381.501 3.863 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC(C(=O)NCc2ccccc2)CC1 12776938 ZNYBYAIFQAOGNH-INIZCTEOSA-N 399.922 3.695 0 40 GHAB O=S(=O)(Nc1ccccc1-c1nnc2n1CCCCC2)c1cccc(F)c1 12779220 FNWPKLINQNWEBJ-UHFFFAOYSA-N 386.452 3.611 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Cl)cc1Cl 12821191 FCJJHYMGXMDVCV-UHFFFAOYSA-N 385.272 3.686 0 40 GHAB C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)c1ccccc1 13038581 VFNLFDBLTWLWIS-OAHLLOKOSA-N 397.500 3.659 0 40 GHAB O=C(CCSCc1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 13684920 ZHTNTINPLBXJHQ-SFHVURJKSA-N 398.528 3.857 0 40 GHAB O=C(Nc1cccc(F)c1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944728 GAPOFPCFSXUHRO-AWEZNQCLSA-N 399.853 3.990 0 40 GHAB CCCCNc1nnc(SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)s1 14016508 BZMJRXVTUQXXJW-UHFFFAOYSA-N 393.563 3.829 0 40 GHAB O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@H]1CCSc2ccc(F)cc21 14230033 ZYSYXOJIEBSPAZ-SUMWQHHRSA-N 388.489 3.982 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 14673544 WKAFFKVDHUEWJD-SNVBAGLBSA-N 387.407 3.899 0 40 GHAB Cn1cc(C(=O)OCC(=O)c2ccc(-c3ccc(Br)cc3)cc2)cn1 14702597 SCRBHOBZJJQRMO-UHFFFAOYSA-N 399.244 3.889 0 40 GHAB O=S(=O)(c1cccc(Cl)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 14729125 OYPQGHQQRNXIQR-UHFFFAOYSA-N 375.881 3.785 0 40 GHAB Cc1cc(NC(=O)[C@H]2COc3ccccc3O2)n(-c2nc3ccccc3s2)n1 16851023 RTMSZDRAXFFTJI-MRXNPFEDSA-N 392.440 3.569 0 40 GHAB NC(=O)c1c(-c2cccs2)csc1NC(=O)CC1(CC(=O)O)CCCC1 17080190 GDYGOHCMWQWMQW-UHFFFAOYSA-N 392.502 3.939 0 40 GHAB O=C(NC(=S)/N=c1\[nH]c2ccc(O)cc2s1)c1ccc(Cl)cc1Cl 17081418 ROOCHMJRQQASTF-UHFFFAOYSA-N 398.296 3.857 0 40 GHAB CN(CCOc1ccc(Br)cc1)C(=O)c1ccc(N(C)C)cc1 18047416 CYXQLQTVACIEAC-UHFFFAOYSA-N 377.282 3.666 0 40 GHAB Cc1cccc(OC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1C 18241159 SGZZGWCHNXXSKY-OALUTQOASA-N 375.424 3.978 0 40 GHAB O=C(COC(=O)/C=C/c1c(F)cccc1Cl)Nc1cccc2nsnc12 19106071 NPSDAEGAKXUEIY-BQYQJAHWSA-N 391.811 3.679 0 40 GHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc2ccccc2n1 19204075 PUIJRGKONQOIRD-UHFFFAOYSA-N 380.444 3.596 0 40 GHAB CCCC(=O)N1CCC[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 19501210 UKUYWVUSBVNMFD-DEOSSOPVSA-N 393.531 3.788 0 40 GHAB COc1ccc(C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)cc1 19586736 KSNDVBAOTGQDIP-UHFFFAOYSA-N 380.488 3.631 0 40 GHAB CCOC(=O)c1oc2ccccc2c1CN1CCN(C(=O)c2ccccc2)CC1 20001443 GVTAALHUYRYKKH-UHFFFAOYSA-N 392.455 3.568 0 40 GHAB C[C@H]1CCCN(Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)C1 20048535 CGLLZIKQJNYVCM-NRFANRHFSA-N 391.559 3.877 0 40 GHAB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccco2)n2c1nc1ccccc12 20638246 NQZJXEVGKNJOOX-ROUUACIJSA-N 381.432 3.545 0 40 GHAB Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 20717473 WMIYSXGRUYDXNJ-INIZCTEOSA-N 384.432 3.683 0 40 GHAB Fc1ccc(COc2ccc(Cl)cc2CNCCCN2CCOCC2)cc1 22074118 JOVRNBALOUIQON-UHFFFAOYSA-N 392.902 3.870 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCOc1ccc2c(c1)OCO2 22480486 JHGZIVHQRMMSMU-NSHDSACASA-N 398.242 3.685 0 40 GHAB Cc1ccc(Sc2ncccc2C(=O)NCCNC(=O)c2ccco2)cc1C 23041699 SMBUEOMSGVEDJC-UHFFFAOYSA-N 395.484 3.602 0 40 GHAB CCCOc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1OCC 23132926 CBGZICWPVIFTOY-QGZVFWFLSA-N 376.522 3.968 0 40 GHAB CN(C)[C@@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1ccco1 24768864 XBHZXWFUKZMJDZ-KRWDZBQOSA-N 387.480 3.588 0 40 GHAB CC(C)CCC[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 24974567 QXQRRCIFEKOKAB-QGZVFWFLSA-N 390.549 3.839 0 40 GHAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1cc(C2CC2)nn1-c1ccccc1 25182456 MGZFOGCWOKMSFE-UHFFFAOYSA-N 387.439 3.739 0 40 GHAB Cc1ccccc1Cn1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)n1 28226586 DJGBYQFJLYONPN-UHFFFAOYSA-N 395.850 3.983 0 40 GHAB COc1ccc2cc([C@@H](C)C(=O)N3CCN(c4nccs4)CC3)ccc2c1 32881925 YBSGYKVBGHQTEC-OAHLLOKOSA-N 381.501 3.757 0 40 GHAB Cc1ccccc1OCCOCCOc1cccc(/C=C2/SC(=N)NC2=O)c1 33419972 IDEBEYTYDGHFNF-XMHGGMMESA-N 398.484 3.608 0 40 GHAB C[C@H](OCCCNC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 36396694 OQFLRHDXQFNJPH-SFHVURJKSA-N 385.483 3.825 0 40 GHAB Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4ccc(C)s4)CC3)n2)cc1 36763194 LCHJDJZXEDUGHS-INIZCTEOSA-N 396.516 3.934 0 40 GHAB CO[C@@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C)C(=O)OCc1ccccc1 39179578 VZIUJIWPLDAAGJ-BPQIPLTHSA-N 377.481 3.780 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(NC(=O)C2CC2)c1 40059979 SDWSDTVGYMJNPL-OAQYLSRUSA-N 389.455 3.938 0 40 GHAB CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)c1 40112624 SWDSFIOMEXDPMC-OAHLLOKOSA-N 395.434 3.650 0 40 GHAB CC(C)(C)c1ccc(C(=O)N2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cc1 40386143 CMHFADQFBFOQGE-IBGZPJMESA-N 376.456 3.776 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)CCNC(=O)C2CCCC2)cn1 41948849 AXBPEDBAAWMLIY-UHFFFAOYSA-N 397.475 3.826 0 40 GHAB O=C(NCCCn1ccnc1)c1ccc(OCCSc2ccccc2)cc1 44845751 KSCMQLPKMVXXLO-UHFFFAOYSA-N 381.501 3.874 0 40 GHAB Cc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 44852901 MNROALBUVQOBLU-SFHVURJKSA-N 384.495 3.930 0 40 GHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(-c2cn3c(n2)SCC3)c1 48984971 HAMGGEPASSJAOO-BFUOFWGJSA-N 393.468 3.823 0 40 GHAB Cc1cc2n(C[C@@H](O)c3cc(Cl)ccc3Cl)c(=O)c3ccccc3n2n1 51288960 GRKMAALZAZNUIN-QGZVFWFLSA-N 388.254 3.998 0 40 GHAB O=C(CN1CCC[C@H]1Cc1ccccc1)NCC1(c2ccccc2)CCOCC1 52489225 AVFOYKPNVRDHHV-QHCPKHFHSA-N 392.543 3.558 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c(OC[C@@H]2CCCO2)c1 57363400 UVOSSXCOAYLMGX-RDJZCZTQSA-N 380.444 3.617 0 40 GHAB Cc1nc(-c2ccccn2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 63957330 JHLLVIJPKIXHIZ-UHFFFAOYSA-N 385.493 3.859 0 40 GHAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc(=O)c2ccccc2o1 66803416 WITAYNHRQNLZKE-UHFFFAOYSA-N 386.411 3.640 0 40 GHAB CC(C)(C)c1nnc(CN2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)o1 69813476 ZXIAFUFCWPYCSO-SFHVURJKSA-N 388.556 3.760 0 40 GHAB O=c1[nH]c(CNc2cccc(Cl)c2)nn1Cc1ccc(OC(F)(F)F)cc1 71282990 HQPXCONBSMOABX-UHFFFAOYSA-N 398.772 3.784 0 40 GHAB CCc1nnc(CN2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)o1 72002213 MOTQHLUNVJONPM-UHFFFAOYSA-N 380.423 3.976 0 40 GHAB Cc1ccccc1Cn1ccc(NC(=O)C2(c3ccccc3)CCOCC2)n1 72265156 DWEYNMLMZAUNKZ-UHFFFAOYSA-N 375.472 3.927 0 40 GHAB O=C(c1cccs1)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 72334809 XVHQVWQUWGFILW-UHFFFAOYSA-N 397.475 3.663 0 40 GHAB Cc1cc(Nc2ccccn2)cc([C@H]2CCCN2CC(=O)N2CCC(C)CC2)n1 72372495 DXQQIZJKHKGFNS-OAQYLSRUSA-N 393.535 3.924 0 40 GHAB O=C(Cc1ccc2c(c1)CCCO2)Nc1ccc(F)cc1OCCn1cccn1 72392121 XNUISPUXSVNTAY-UHFFFAOYSA-N 395.434 3.607 0 40 GHAB O=C(CCn1ncc2ccccc21)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 72396250 DJTKASOPWUTKAF-OAQYLSRUSA-N 399.498 3.865 0 40 GHAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@H]1CCO[C@@]2(CCOC2)C1 95457746 VVWVUWPJKNMVKE-PXNSSMCTSA-N 375.900 3.570 0 40 GHAB COCCn1c(C(=O)NC[C@@H]2CCCO2)cc2c1c1ccccc1n2C(C)C 96264187 RIJUZBKCROWKJA-INIZCTEOSA-N 383.492 3.732 0 40 GHAB COc1ccc(C(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)cc1 96296849 OOBCSWOYAWSPQG-LLVKDONJSA-N 384.363 3.679 0 40 GHAB biogenic,in-vitro O=C(Cc1ccccc1Cl)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211681 FMKVWHGAQRASQP-UHFFFAOYSA-N 380.879 3.621 0 40 GHAB O=C1CC(=O)[C@H](n2cncn2)[C@@H](c2ccccc2Oc2cccc(Cl)c2)C1 100325452 XDHIDACLRRTDAK-YLJYHZDGSA-N 381.819 3.981 0 40 GHAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 100740734 JRIPFSJGQQAPTQ-BKULYWANSA-N 389.543 3.927 0 40 GHAB CC(C)(C)c1ccc(C(=O)Nc2nc3[nH]c(-c4ccccc4)cc(=O)n3n2)cc1 101759572 RJILEPVCPXSGPJ-UHFFFAOYSA-N 387.443 3.634 0 40 GHAB C[C@H](NC(=O)[C@]1(C)CC1(Br)Br)[C@H]1C[C@@H]2CC[C@@H]1C2 101986683 NAIUYHATLLRLEU-KSLZLVKMSA-N 379.136 3.823 0 40 GHAB COc1ccc([C@@H](CNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)N2CCCCC2)cc1 110516182 MNUGDEHINUOVDO-BVPXEZJJSA-N 387.593 3.875 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc(C)cc1 113957435 HXPPUYPLXRJZIZ-CRAIPNDOSA-N 392.496 3.556 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207013645 DKIXMUCNZIIZHF-ZDUSSCGKSA-N 397.456 3.622 0 40 GHAB Cc1ccccc1[C@@H]1CCN(C(=O)CNC(=O)OCc2ccccc2)CCS1 219289488 CQXUTJRXIKCFRA-FQEVSTJZSA-N 398.528 3.928 0 40 GHAB CC(C)c1nc(Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)no1 222988975 WIJHOOQSIIWPPV-UHFFFAOYSA-N 375.425 3.724 0 40 GHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 223047452 YTOMGDMPSUOOSR-WOJBJXKFSA-N 396.516 3.533 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1 223192729 TVGGGOCCWIKWPA-IBGZPJMESA-N 388.895 3.581 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 223639153 NTZILGSXQUYGQX-GOSISDBHSA-N 384.545 3.782 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(CC)c2)cc1Cl 223685975 XZKUYZMDXUHSTL-UHFFFAOYSA-N 397.880 3.889 0 40 GHAB COc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 224483590 ZEPSTCQUJRTYBX-LJQANCHMSA-N 396.531 3.736 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1C 225070121 SITHUANYBZCSIM-FQEVSTJZSA-N 396.531 3.668 0 40 GHAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C 225420310 ADISXMHSPIMJEG-PMACEKPBSA-N 396.531 3.748 0 40 GHAB O=S(=O)(CCCOc1ccccc1)NCc1cccnc1-c1cccs1 225763167 XCQVHAOETLCWKT-UHFFFAOYSA-N 388.514 3.699 0 40 GHAB C[C@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NC(C)(C)C)n2)C1 225896387 BRMNMHIHQKPYKD-JTQLQIEISA-N 375.464 3.817 0 40 GHAB CCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cc(C)ccc1C 225935132 JRMBCLBXGKVHGZ-UHFFFAOYSA-N 380.554 3.543 0 40 GHAB Cc1cncc([C@@H]2CCCN(C(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)C2)n1 257332266 XWMCAGKVECNPIL-QVKFZJNVSA-N 398.894 3.728 0 40 GHAB COc1ccc(CSCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 409119288 VXTNJMTYRBCMDA-UHFFFAOYSA-N 386.517 3.953 0 40 GHAB C[C@@H]1CCC2=NN(C(=O)CSCc3ccccc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409350979 VCZPOHDCTFAKND-MRRJBJDNSA-N 386.439 3.805 0 40 GHAB O=C(NCc1cccc(Cn2ccnc2)c1)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 527678454 NMPXSXJNEQIDHR-ROUUACIJSA-N 386.446 3.793 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)N[C@H](C)Cc1csc2ccccc12 575620573 LAXASJYMAZZLQO-LLVKDONJSA-N 395.527 3.659 0 40 GHAB C[C@]1(CNC(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)CC1(F)F 666034908 SJEJDPQXBIPIQQ-GOSISDBHSA-N 394.443 3.827 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC[C@@H]3NC(=O)CCc3ccccc3)CC2)o1 1565554118 RCFTUJUFAJQAMS-FQEVSTJZSA-N 380.488 3.722 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)n1 1615117709 BZXOAUOYJXOUBA-JOCHJYFZSA-N 384.499 3.689 0 40 GHAB Cc1c(CCC(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)cnn1C 1615155135 IBBJMAIFDFVPDO-QHCPKHFHSA-N 398.526 3.850 0 40 GHAB O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@H](c2ccccc2O)O1 710017 RZQUKKIOXLJTJB-XXBNENTESA-N 391.423 3.943 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)cc1 894359 XSOOQUHTOWMATM-UHFFFAOYSA-N 398.488 3.524 0 40 GHAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1 1004438 FXVYSKNHJVPCAV-UHFFFAOYSA-N 397.544 3.948 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 1324849 GYYKMHUBSXRQNI-RDTXWAMCSA-N 392.546 3.535 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1C[C@H]1CCCO1 1364597 AFYJPHYWEHRWKC-MRXNPFEDSA-N 386.521 3.628 0 40 GHAB Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2N2CCOCC2)cc1 2501918 WFPFRBJFSLWIDS-UHFFFAOYSA-N 398.484 3.628 0 40 GHAB O=C(Nc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1)c1ccco1 2618553 SOJRCMBZXNXENW-UHFFFAOYSA-N 389.367 3.939 0 40 GHAB COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3C)n2C)c1C 2627633 ZXELPYVPBREAIO-UHFFFAOYSA-N 398.532 3.830 0 40 GHAB O=C(COc1cnc2ccccc2n1)Nc1ccc(Br)cc1F 2660468 YIUUHJQXMPZRLD-UHFFFAOYSA-N 376.185 3.549 0 40 GHAB O=C(COC(=O)c1ccc(Cl)nc1)Nc1ccccc1C(=O)c1ccccc1 3249906 NVWKHGGJNKBSDZ-UHFFFAOYSA-N 394.814 3.762 0 40 GHAB O=C(CSc1nnc(NCc2ccccc2)s1)NCc1ccc(F)cc1 3339322 COYFIGADHZDNPA-UHFFFAOYSA-N 388.493 3.698 0 40 GHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C)o2)sc2c1CCCC2 3343505 FUQOYODHMZDJFX-UHFFFAOYSA-N 391.445 3.501 0 40 GHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 3405992 QMDWHYWJFXKQCC-UHFFFAOYSA-N 379.338 3.875 0 40 GHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(OC[C@H]2CCCO2)cc1 3439676 JONVZETZUVFTRR-LJQANCHMSA-N 383.444 3.657 0 40 GHAB O=C(COc1ccc(Br)cc1Br)NCc1ccccc1 3515804 KBIUORDDYWYOKH-UHFFFAOYSA-N 399.082 3.907 0 40 GHAB CN(C(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1 3543409 CIKAADYXXLQSDI-UHFFFAOYSA-N 388.423 3.759 0 40 GHAB CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 3870648 QAOBBBBDJSWHMU-NIZYUPJXSA-N 380.525 3.887 0 40 GHAB Cc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccccc4F)nn23)cc1 4164714 BEOPJQFAZVJWLJ-UHFFFAOYSA-N 393.447 3.970 0 40 GHAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)c1 4680223 YHPXOLBPHGMHLC-UHFFFAOYSA-N 378.837 3.564 0 40 GHAB COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)O)c1OC 5017759 QGRQUNJDKLUDDU-GOSISDBHSA-N 396.443 3.636 0 40 GHAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(Br)cc1 5212900 LQQNMKNKJIDOFK-SNVBAGLBSA-N 377.267 3.611 0 40 GHAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccnc2)no1 5307620 KRJBMVJYWLSPKU-QGZVFWFLSA-N 393.786 3.888 0 40 GHAB CSc1cccc(NC(=O)COC(=O)c2cc(Br)ccc2O)c1 5743495 GLNHKIZSMSAOKT-UHFFFAOYSA-N 396.262 3.672 0 40 GHAB COc1ccc(COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1F 6028305 MCEWGRNDOWWNSM-UHFFFAOYSA-N 393.414 3.975 0 40 GHAB CCN(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 6139101 NBURPVHANFXLQJ-UHFFFAOYSA-N 382.485 3.798 0 40 GHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(Cl)s1 6200890 DXSFKNLRAIVWDF-INIZCTEOSA-N 379.865 3.582 0 40 GHAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1 6602848 SAHMAQFBTOGBMR-GFCCVEGCSA-N 380.872 3.856 0 40 GHAB CC(C)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 6725316 PPGVXBNSNPOGTG-LJQANCHMSA-N 394.581 3.690 0 40 GHAB O=c1c2nccnc2nc(SCc2ccc(F)cc2)n1Cc1ccc(F)cc1 6818670 OLEFJIAGOIKOLN-UHFFFAOYSA-N 396.422 3.805 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 7014832 XMBLXHNHZYHARZ-QHCPKHFHSA-N 393.487 3.526 0 40 GHAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccsc2)c1 7230630 WDGIOGYFIZKVFW-UHFFFAOYSA-N 388.470 3.810 0 40 GHAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O 7882125 LLPPEXVAIWLYJS-ZFWWWQNUSA-N 387.277 3.997 0 40 GHAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(N2CCCC2)cc1 7907022 YXTUNBSVNGVCAL-FQEVSTJZSA-N 399.560 3.968 0 40 GHAB COc1cc(C)c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC 8153273 FDYVVNYOSHPGTH-UHFFFAOYSA-N 395.425 3.748 0 40 GHAB CCCCc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)CC)cc1 8586847 ZCCLAGHOLBWUNI-UHFFFAOYSA-N 386.517 3.994 0 40 GHAB O=C(c1ccccc1F)N(Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 8869880 IFBNYUYYWZMZRV-SFHVURJKSA-N 397.471 3.808 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1 8924867 FJQGMEXOEXCICN-SJCJZALSSA-N 388.489 3.742 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CCC(=O)c2ccc(C)cc2)c1 8929514 GODQYXGFQHWJCJ-INIZCTEOSA-N 381.428 3.731 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)CCSc1nc(Cl)nc2nc[nH]c12 9421623 UYKGJHNEPNYJBC-LBPRGKRZSA-N 389.912 3.626 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)cc1 9485843 MVHJBEDVBZOKGA-UHFFFAOYSA-N 394.427 3.645 0 40 GHAB COc1ccc2c(CC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)coc2c1 9503287 HSDSBUAMYMQPCS-UHFFFAOYSA-N 398.503 3.625 0 40 GHAB Cc1ccc(-n2nnnc2CNC(=O)c2cc(Cl)ccc2Cl)cc1C 9570306 SORKGMWUPNBOGS-UHFFFAOYSA-N 376.247 3.516 0 40 GHAB COc1ccc(-c2cc(C(=O)N3CCO[C@H](C)C3)c3ccccc3n2)cc1OC 9854009 OXHOPDZAYAUJEY-OAHLLOKOSA-N 392.455 3.780 0 40 GHAB Cc1csc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)n1 10555203 PAVABHHDLTWIBN-UHFFFAOYSA-N 387.486 3.813 0 40 GHAB O=C(Cn1nc(-c2cccs2)oc1=O)N(Cc1ccccc1)c1ccccc1 11285830 QYFWJAAICHXZSK-UHFFFAOYSA-N 391.452 3.798 0 40 GHAB COc1c(C(=O)NCc2nc(-c3ccccc3)no2)cnc2cc(Cl)ccc12 12116918 RKRLFEQFSGVCKL-UHFFFAOYSA-N 394.818 3.877 0 40 GHAB O=C(CSc1nccc2ccccc12)NCc1noc(-c2ccccc2)n1 12148638 DYTHRSSDHJGMEY-UHFFFAOYSA-N 376.441 3.693 0 40 GHAB CCN(CC)C[C@@H]1CCCN(c2c(C)c(C)nc3cc(C4CCOCC4)nn23)C1 12155421 HGKWVOFXFCHGIA-IBGZPJMESA-N 399.583 3.798 0 40 GHAB O[C@@H]1CCCN(c2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)C1 12221793 RLRYNXRMRAHVDD-GFCCVEGCSA-N 390.274 3.802 0 40 GHAB COC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)cc1 12274077 APECVZHMUSDCGY-UHFFFAOYSA-N 384.823 3.576 0 40 GHAB CCc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)on1 12276667 JSEYVCXUSBGJSZ-KRWDZBQOSA-N 377.448 3.533 0 40 GHAB C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(-n2ccnc2)cc1 12507770 MLBVTUHAACWSSX-OAHLLOKOSA-N 389.484 3.811 0 40 GHAB COc1cc(C(=O)N2CCO[C@@H](C)C2)ccc1OCc1ccccc1Cl 12797906 ZZSQWGCHJXEJHP-AWEZNQCLSA-N 375.852 3.789 0 40 GHAB CC(C)(C)c1ccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)cc1 12910287 BAEGBUWCSSRLIZ-JQIJEIRASA-N 386.517 3.903 0 40 GHAB O=C(CCNC(=O)NC1CCCCC1)Nc1ccc(OCC(F)(F)F)cc1 12916473 NBMAHRCYXHKRMR-UHFFFAOYSA-N 387.402 3.588 0 40 GHAB CCC1(C)CC(=O)N(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C(=O)C1 13020340 GYMVHARACNZWGF-KRWDZBQOSA-N 397.471 3.784 0 40 GHAB Cc1cc(C)c2cc(CNc3ccc(N4CCN(C)CC4)cc3)c(=O)[nH]c2c1 13562990 TWLKFADMNJPNFU-UHFFFAOYSA-N 376.504 3.509 0 40 GHAB CN(CC(=O)Oc1ccc2ccccc2c1)S(=O)(=O)/C=C/c1ccccc1 15565654 UNOPCTCSTSLIGM-BUHFOSPRSA-N 381.453 3.678 0 40 GHAB COc1cccc(CN(C)Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)c1 15953038 GBTLXXNVRRUUOW-UHFFFAOYSA-N 377.366 3.583 0 40 GHAB CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21 17083430 OFYCSIKRICVGTO-QGZVFWFLSA-N 394.652 3.540 0 40 GHAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1cccc(Cl)c1Cl)C2 19292622 KVKOYCBAURAETM-UHFFFAOYSA-N 387.270 3.697 0 40 GHAB Cc1cc(NC(=O)c2cccc(-n3nc(C)cc3C)c2)n(Cc2ccncc2)n1 19574765 RZZYSPKVXGUGOT-UHFFFAOYSA-N 386.459 3.690 0 40 GHAB CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CCCN1CCCC1 19589126 JXWJSOGYKBKVLZ-CQOQZXRMSA-N 383.580 3.731 0 40 GHAB CC(=O)N1CCCCC[C@@H]2N(C(=O)c3ccccc3CN3CCCC3)CC[C@@]21C 19713336 WJYXIOHTKQJXFA-UPVQGACJSA-N 397.563 3.678 0 40 GHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCN2C(=O)C2CCCC2)n1 19766658 JBCBCANDAHWXKB-LJQANCHMSA-N 384.524 3.701 0 40 GHAB Cc1cc(C)cc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1 19947213 MVEFBOTUVFDJGH-UHFFFAOYSA-N 382.485 3.861 0 40 GHAB CC[C@H](C)Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 20443032 CGHFZVZVNNGGGV-LBPRGKRZSA-N 383.521 3.775 0 40 GHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cccc(C)c1 20634778 OFCWNDNTXNWZQF-IBGZPJMESA-N 392.455 3.824 0 40 GHAB COc1ccccc1CCNC(=O)Cn1ccc2ccc(Br)cc21 20731629 BQYGZDINQPTOQN-UHFFFAOYSA-N 387.277 3.771 0 40 GHAB CSCC[C@@H](NC(=O)c1ccc(Cl)nc1Cl)c1nnc2ccccn12 20744936 DAJGQXFVLAZNPL-LLVKDONJSA-N 396.303 3.655 0 40 GHAB O=C(c1cc(F)cc(F)c1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21532446 SXAOQSIMWJRXQU-UHFFFAOYSA-N 385.336 3.731 0 40 GHAB CCCn1c(NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)nc2ccccc21 21597578 RNOBABZJTLNRSX-ZDUSSCGKSA-N 384.867 3.857 0 40 GHAB Cn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2cc(F)ccc21 22236394 XVLVEEFZBYPVTP-UHFFFAOYSA-N 378.447 3.773 0 40 GHAB C[C@H](NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)c1ccc(F)cc1F 22277300 NLMVRNOTKCCEQI-AWEZNQCLSA-N 393.455 3.929 0 40 GHAB CCN1CCC[C@@H]1CN[C@@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 22919298 NZUXQGPYVILEFM-FGZHOGPDSA-N 379.504 3.643 0 40 GHAB Cc1ccc(OCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1C 23269783 FYLMPHUYTGGXOT-UHFFFAOYSA-N 397.500 3.767 0 40 GHAB Cc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)c(C)c1 23379502 JMZLPMNBCHPPGX-UHFFFAOYSA-N 389.499 3.581 0 40 GHAB O=C(NCC1(c2ccccc2)CC1)c1ccccc1SCC(=O)N1CCCC1 26675382 WXGADILFCFNMDL-UHFFFAOYSA-N 394.540 3.863 0 40 GHAB O=C(/N=c1\[nH]c2ccccc2n1CCN1CCCCC1)[C@@H]1C[C@@H]1c1ccccc1 28305502 DQNLLBORJSPYNU-WOJBJXKFSA-N 388.515 3.686 0 40 GHAB CCOc1ccccc1C(=O)NCC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 29239332 LLWPRTQRLOSQOL-CYBMUJFWSA-N 394.393 3.711 0 40 GHAB CCN(CC)CCOc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1 29290648 HZENIIHJSPZYHX-UHFFFAOYSA-N 380.492 3.855 0 40 GHAB Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1 31107505 STRNRSCTGJVSCL-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)s1 32754702 HRTUAYGKFWYGSX-UHFFFAOYSA-N 394.452 3.717 0 40 GHAB COc1ccccc1NC(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1 32912710 DVGAGULPBVTTKU-UHFFFAOYSA-N 382.247 3.554 0 40 GHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(=O)NC1CCCC1 32938048 QYZSRDHSUMABPY-UHFFFAOYSA-N 386.473 3.589 0 40 GHAB Cc1csc2nc(COc3cccc(NC(=O)c4cccs4)c3)cc(=O)n12 41085709 VVCKNWZYIVFXFY-UHFFFAOYSA-N 397.481 3.957 0 40 GHAB COc1cc(OC)c(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1Cl 43413975 KITMSZKWGXHHGV-ZDUSSCGKSA-N 383.901 3.843 0 40 GHAB Cc1noc(C)c1CC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 46528392 XYRUUZINKGABGT-UHFFFAOYSA-N 380.400 3.780 0 40 GHAB Cc1ccc2nc(COC(=O)[C@@H](C)Oc3cccc(C(C)(C)C)c3)cc(=O)n2c1 48354392 HFBCVGOLCKNJGS-MRXNPFEDSA-N 394.471 3.811 0 40 GHAB COc1ccc(F)cc1[C@H](C)NC(=O)NC1CCN(CC2CCCC2)CC1 58378566 IUYFGZMLLXWERW-HNNXBMFYSA-N 377.504 3.849 0 40 GHAB O=C1C[C@H](C(=O)N(CCc2ccccc2)c2ccccc2)CN1Cc1ccco1 58439981 SBPFHHRXOXDHIE-FQEVSTJZSA-N 388.467 3.904 0 40 GHAB COc1ccc(CCCNC(=O)c2ccccc2Br)cc1OC 59386035 DVDGNRHBXXZSPM-UHFFFAOYSA-N 378.266 3.829 0 40 GHAB Fc1ccc2c(c1)CCCN2Cc1nnnn1-c1ccc(C(F)(F)F)cc1 59421175 HBJQIDHOZVIJDN-UHFFFAOYSA-N 377.345 3.773 0 40 GHAB COc1cn(-c2ccccc2)nc1C(=O)N1CCC(n2c(C)ccc2C)CC1 65475928 FKHGWEXTLSVBPR-UHFFFAOYSA-N 378.476 3.777 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70640121 SKRCFMPRGDXYDU-HNNXBMFYSA-N 393.814 3.512 0 40 GHAB Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[C@H](O)c1ccccc1 72224702 NPAATUXYYCMXIC-HXUWFJFHSA-N 383.492 3.529 0 40 GHAB Cc1cc(C(=O)NC[C@H]2CSCCS2)cc(C)c1OCc1cccnc1 79054435 DLZSPRCKDGXPHF-SFHVURJKSA-N 388.558 3.856 0 40 GHAB C[C@@H]1CCC[C@@H](c2ccccc2)N1Cc1nnc2n(C)c(=O)c3sccc3n12 79059004 ZKODRGLTEMAKPS-ZBFHGGJFSA-N 393.516 3.758 0 40 GHAB CC1(C)CC(NC(=O)CCc2nc(-c3ccc4cc[nH]c4c3)no2)CC(C)(C)N1 79490302 OPSJZBLWLSZHJA-UHFFFAOYSA-N 395.507 3.576 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)N2CCC[C@@H]2c2ccccc2)c1 84213202 HURBQSRINOYTMH-GOSISDBHSA-N 378.501 3.906 0 40 GHAB CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 84240368 SBTBKKGCECTMJI-KRWDZBQOSA-N 376.472 3.763 0 40 GHAB O=C(c1ccncc1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 96038183 GFBFALLKRZPZGY-UHFFFAOYSA-N 383.455 3.811 0 40 GHAB O=C(c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1)N1CCCO1 96062692 BIJNTPNUYQEUTE-UHFFFAOYSA-N 387.443 3.563 0 40 GHAB CO[C@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1C 96105110 TZGHFQLATUPKAT-QGZVFWFLSA-N 387.423 3.821 0 40 GHAB Cc1nc2sc(C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)c(C)c2c(=O)[nH]1 96232379 KBLWNDCIBWWPJO-HNNXBMFYSA-N 395.488 3.605 0 40 GHAB COc1cccc(CN2CC[C@@]3(COCc4cnc(-c5ccccc5)nc43)C2)c1 96244343 UKGZUYMRCFDUEC-DEOSSOPVSA-N 387.483 3.826 0 40 GHAB Cc1nc(NC(=O)Cc2ccc(Cl)cc2)ccc1I 96957127 OKTJAQBWCXFWPW-UHFFFAOYSA-N 386.620 3.829 0 40 GHAB CN(C)c1cccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)no2)c1 98212211 DKWPXIZIZCCHCN-GOSISDBHSA-N 380.423 3.919 0 40 GHAB O=C(c1ccc(Cl)s1)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 211105139 ZXBIPFCUGQPWPY-CYBMUJFWSA-N 387.885 3.619 0 40 GHAB COC(=O)c1ccc2oc(-c3cccc(I)c3)nc2c1 216792020 AIVLOHIYSAYCDU-UHFFFAOYSA-N 379.153 3.886 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)O)c1)c1ccccc1 217608871 WMRIYUNOURWTSC-CQSZACIVSA-N 388.489 3.779 0 40 GHAB CCc1ccc(N([C@H](C)C(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1 220262148 AXDGWBLGEGTXIZ-CYBMUJFWSA-N 380.897 3.696 0 40 GHAB CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223728333 FJZBCAPAPQTNLZ-UHFFFAOYSA-N 375.490 3.576 0 40 GHAB O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccc(-c2ccccc2)cc1 224272360 JEGXJEVTAUMZPN-UHFFFAOYSA-N 380.473 3.545 0 40 GHAB COc1ccc(OCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 224334309 KROUASWWVBAJQE-GOSISDBHSA-N 382.504 3.736 0 40 GHAB CC(C)C[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 225319422 NNWXKBIMRNATQA-WOJBJXKFSA-N 388.533 3.523 0 40 GHAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCCCCC1)[C@]1(C2)NC(=O)c2ccccc2N1 253596025 MBKJQAGOJLTKNZ-VONVNUAUSA-N 381.520 3.767 0 40 GHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(C)c2C)c(F)c1F 408628967 YVKQCERFAXNLKO-UHFFFAOYSA-N 386.370 3.995 0 40 GHAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1Cl 409199531 OKDZPHSEGNFPCW-UHFFFAOYSA-N 394.924 3.906 0 40 GHAB CC(=O)[C@H]1CCCCN1C(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 529441561 ZWMOKWIILHXHLQ-OAHLLOKOSA-N 392.381 3.823 0 40 GHAB O=S1(=O)CCCN1c1cc(N[C@@H]2CCC[C@@H](c3cccnc3)C2)ccc1F 569744443 MZDGNVCKOIPSFD-NVXWUHKLSA-N 389.496 3.899 0 40 GHAB Cc1cc(C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)c2cnn(C)c2n1 585082948 ZDLHVOCQRKESBA-ZDUSSCGKSA-N 390.409 3.999 0 40 GHAB Cc1ccc(-c2cccnc2)cc1NC(=O)N[C@@H]1CCO[C@H]1c1cn(C)nc1C 666967424 FCFYVFHMQLNFTQ-CTNGQTDRSA-N 391.475 3.751 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 825979 PBZSLXUKFLGNGK-FQEVSTJZSA-N 380.444 3.845 0 40 GHAB CC(=O)CC(=O)Nc1ccc(Cc2ccc(NC(=O)CC(C)=O)c(C)c2)cc1C 1701491 WHQUILGEBQKNOH-UHFFFAOYSA-N 394.471 3.729 0 40 GHAB COc1ccc(-n2nnc(C(=O)Nc3ccc(Br)cc3)c2C)cc1 2713282 WFFBIXCGTNAWDV-UHFFFAOYSA-N 387.237 3.599 0 40 GHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@@H]1CCCc2ccccc21 3321166 UBBDRVMFTOTSBQ-QUCCMNQESA-N 386.442 3.913 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(N2CCOCC2)cc1 3344222 LUUPFZOUGYWICY-UHFFFAOYSA-N 376.460 3.578 0 40 GHAB COc1cccc(CN(C)CC(=O)Nc2cccc(C(F)(F)F)c2)c1OC 3345396 BRJWGMXQARQEAZ-UHFFFAOYSA-N 382.382 3.793 0 40 GHAB O=C(CSc1nnc(COc2ccccc2Cl)o1)NCc1ccccc1 3364828 BFMOQKBCLDIBFO-UHFFFAOYSA-N 389.864 3.711 0 40 GHAB O=C1OCC[C@@H]1Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 3412953 HEKHNLGCWKPAGO-AWEZNQCLSA-N 375.837 3.647 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(F)cc2F)C(=O)[C@]31C 4073756 WKMLAGKINYIMCR-NRFANRHFSA-N 397.381 3.695 0 40 GHAB biogenic COc1ccc2oc(C(=O)OCC(=O)N3c4ccccc4C[C@H]3C)c(C)c2c1 4524954 WKOUTUABYSTSRX-CYBMUJFWSA-N 379.412 3.884 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 4734764 JBPSRKHSINPNOU-FQEVSTJZSA-N 393.443 3.523 0 40 GHAB COC(=O)[C@H]1C(=O)c2c([nH]c(C(=O)OC3CCCCCCC3)c2C)C[C@H]1C 4916941 MHHZRJRWCRQQHM-MLGOLLRUSA-N 375.465 3.757 0 40 GHAB COc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C(C)(C)C 5016738 HCUUAOPSLISGEY-UHFFFAOYSA-N 382.570 3.580 0 40 GHAB COc1cccc([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)OC3)c1 5269742 UIFXEDUAQQKCLX-AWEZNQCLSA-N 387.794 3.819 0 40 GHAB O=S1(=O)c2cccc3cccc(c23)N1Cc1cc(Cl)c2c(c1)OCCO2 5281507 RNMLKWOFPVCAQN-UHFFFAOYSA-N 387.844 3.973 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)C1 5304859 VCEJLDMKFWLFLD-HOTGVXAUSA-N 393.462 3.702 0 40 GHAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc2c(c1)OCO2 5391827 RRYCEDSEHAIBOO-UHFFFAOYSA-N 389.820 3.850 0 40 GHAB O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1cccc(C(F)(F)F)c1 5521931 UQFRNGBTZMKQKY-UHFFFAOYSA-N 379.367 3.616 0 40 GHAB COc1cccc(-n2cnnc2SCc2cc(Cl)c3c(c2)OCCO3)c1 5702433 JAHBOGCDEIYOBE-UHFFFAOYSA-N 389.864 3.993 0 40 GHAB COc1ccccc1C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O 6200366 QDCCXWZFQIQANR-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Oc3ccccc3)ccc2Cl)C1 6552375 YGDAJNOEBVDPJT-CQSZACIVSA-N 393.892 3.980 0 40 GHAB Cc1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2cccc(C)c2)cc1 6560406 FREHDRQBZQPELR-UHFFFAOYSA-N 398.484 3.726 0 40 GHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(Cl)cc1F 6628248 LSUFVFWYSKKHFO-UHFFFAOYSA-N 399.735 3.790 0 40 GHAB CCCCOC(=O)CN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 6650412 OQSXWBRXLAVEGL-UKTHLTGXSA-N 398.278 3.829 0 40 GHAB COc1ccc(-n2nnnc2SCc2cccc(Br)c2)cc1 6784984 WENBVFZKUTYYIW-UHFFFAOYSA-N 377.267 3.726 0 40 GHAB O=C(Nc1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1 7400031 LRMVRCHCBQPANQ-NSHDSACASA-N 377.213 3.580 0 40 GHAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)Nc1ccc2c(c1)CCC2 7617007 COLJRCCCCMMLFH-UHFFFAOYSA-N 391.500 3.895 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)NCc2cccc(Cl)c2)c(OC)c1 7741644 NPFDVLVICZDOFU-LJQANCHMSA-N 388.895 3.811 0 40 GHAB C[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc2c(c1)CCCC2 7822068 PEQDYBUDHIVKCI-OAHLLOKOSA-N 384.549 3.853 0 40 GHAB COc1ccc(O)c(C(=O)c2cc(Cl)c3nc4ccsc4c(=O)n3c2)c1 8394154 BRGLPACPWNPMFF-UHFFFAOYSA-N 386.816 3.508 0 40 GHAB Cc1ccccc1NC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 8571293 DFCBPYURYKFBDT-BUHFOSPRSA-N 396.468 3.718 0 40 GHAB CC(C)OC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccccc1 8748623 LWWMPBOTKWCYKW-MRXNPFEDSA-N 393.464 3.908 0 40 GHAB O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21 8961209 URFHKCZRVOIWPN-UHFFFAOYSA-N 384.388 3.985 0 40 GHAB O=C(Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2cccs2)c2ccccc21 8991517 SMTKWNDEPHWBTM-JOCHJYFZSA-N 377.465 3.684 0 40 GHAB O=c1/c(=C/c2cc(OC(F)F)ccc2Cl)sc2nc3ccccc3n12 9097156 JEPSSGGLOVGMOQ-ZSOIEALJSA-N 378.787 3.712 0 40 GHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccn1 9224210 HYYBBHQPNAJNLR-AWEZNQCLSA-N 399.447 3.513 0 40 GHAB O=C(CNC(=O)c1cc(C2CC2)nc2ccccc12)Nc1ccc(F)c(F)c1F 9690106 WNWFBPYIOVTQBD-UHFFFAOYSA-N 399.372 3.898 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 9861699 UYCXUOYIONWLAC-SFHVURJKSA-N 381.881 3.787 0 40 GHAB CN(C)Cc1ccccc1CNC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10261321 PJYGWWNYOCUHHB-LJQANCHMSA-N 391.519 3.714 0 40 GHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)Cc3cccc(F)c3)n2)cc1 11453942 ADHLOFALHQHBKA-UHFFFAOYSA-N 397.475 3.809 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 12783307 XMHYEWGOYOFQAE-CTNGQTDRSA-N 394.471 3.929 0 40 GHAB CCCCSc1nnc(SCCC(=O)NC(=O)NC2CCCC2)s1 12823245 YQKGFBHQZORGRF-UHFFFAOYSA-N 388.584 3.681 0 40 GHAB CCOc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)NCc1ccco1 13550795 QNBXUTSJJJQJBJ-HKWRFOASSA-N 390.439 3.766 0 40 GHAB CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1OC(=O)c1ccc(OC)cc1 13611057 MEMHKRQNYRERBQ-UHFFFAOYSA-N 376.416 3.847 0 40 GHAB Cc1ccc(-c2nc(C(=O)OCC(=O)N3CCc4sccc4C3)cs2)cc1 14305040 XJZKVPVNGATTIZ-UHFFFAOYSA-N 398.509 3.922 0 40 GHAB Cc1ccc(C)c(CSc2ncc(CO)n2CC(=O)NCc2ccccc2)c1 17026170 XVNFVDQNNGSBDK-UHFFFAOYSA-N 395.528 3.601 0 40 GHAB CCOCc1cc(CN2CC[C@]3(CCc4ccccc4C(=O)N3)C2)ccc1OC 19531133 KWRNYICVGVDUQH-XMMPIXPASA-N 394.515 3.552 0 40 GHAB Cc1nn(C)cc1CN1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccccc1 19689537 HZSJIJIQZZKRTA-HXUWFJFHSA-N 376.508 3.589 0 40 GHAB Cc1ccccc1-c1noc(-c2nnn(-c3ccccc3C(F)(F)F)c2N)n1 20530577 VPRCPQSFIVUXEA-UHFFFAOYSA-N 386.337 3.894 0 40 GHAB CCCc1nnc2sc(-c3cccc(NC(=O)Cc4ccccc4)c3)nn12 20609672 PMKSYJRYEKSLOC-UHFFFAOYSA-N 377.473 3.987 0 40 GHAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(OC)cc1)C3 20671670 NTZWGFKLZMKUFG-AWEZNQCLSA-N 382.489 3.938 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24796060 NRSXXGSFMYRPEV-SFHVURJKSA-N 390.842 3.869 0 40 GHAB COc1ccc(CN(C(=O)c2cncc(Br)c2)C2CC2)c(OC)c1 25291997 RCUNOOVFHLNQAZ-UHFFFAOYSA-N 391.265 3.666 0 40 GHAB O[C@H](COc1ccccc1Cl)CN1CCN(c2cccc(Cl)c2)CC1 26919770 NCUHWNXVSBFTAF-KRWDZBQOSA-N 381.303 3.555 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)CCC(=O)c2ccc(C)s2)CC1 27060787 WONJCIUZSDMWNM-UHFFFAOYSA-N 385.533 3.800 0 40 GHAB Cc1csc2nc(CSCCC(=O)Nc3cccc(Cl)c3)cc(=O)n12 32778732 VDYLYCJOKXLYIK-UHFFFAOYSA-N 393.921 3.980 0 40 GHAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)[C@@H]1COCCO1 33151267 SZHYNEYXLBOJJY-JTQLQIEISA-N 378.500 3.954 0 40 GHAB Cc1ccnc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 35315258 KODPRPXXFWAENA-UHFFFAOYSA-N 380.442 3.975 0 40 GHAB O=C(C(c1ccccc1)c1ccccc1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 36070973 QFWBXXVTCMPWFB-QHCPKHFHSA-N 396.490 3.787 0 40 GHAB Cc1ccc(-c2nc(Cn3nnc(-c4ccc(Br)cc4)n3)no2)cc1 36394700 UMEUBANBVNHESJ-UHFFFAOYSA-N 397.236 3.509 0 40 GHAB CNC(=O)c1ccc(/C=C/C(=O)N2CCC(CCc3ccccc3)CC2)cc1 36398324 FAZKKWUSAXJJEO-SDNWHVSQSA-N 376.500 3.931 0 40 GHAB CCCCn1c(SCC(N)=O)nc2scc(-c3ccc(C)cc3)c2c1=O 36646098 HGMKCUCRBJEHRO-UHFFFAOYSA-N 387.530 3.811 0 40 GHAB CCN(CC)[C@@H](CNC(=O)Cc1noc2ccccc12)c1cccc(OC)c1 36751122 FOURZWBSHZDGJB-FQEVSTJZSA-N 381.476 3.578 0 40 GHAB CCn1c(SCC(=O)N2CCCC2)nc2c(-c3ccccc3)csc2c1=O 38486773 HAUXGPLUPNDHMY-UHFFFAOYSA-N 399.541 3.859 0 40 GHAB O=C(CNc1ccccc1OCC(F)(F)F)NC(=O)Nc1ccccc1F 40039048 UOHODWYGXOHOCH-UHFFFAOYSA-N 385.317 3.527 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c1 40059968 MAMJCSITLXOTFM-XHSDSOJGSA-N 393.553 3.524 0 40 GHAB CN1CCN(Cc2ccccc2CNC(=O)c2ccc(Cl)cc2Cl)CC1 40089764 KQYTXDIBNZCKBV-UHFFFAOYSA-N 392.330 3.671 0 40 GHAB CCCc1noc(CCC(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)n1 40107136 LRIAQYORHHHMPD-QGZVFWFLSA-N 384.524 3.503 0 40 GHAB CCCc1c(C(=O)OCC)nnc2c(-c3cccc(Cl)c3)c(COC)nn12 40385159 WFISZNPKHKMNJK-UHFFFAOYSA-N 388.855 3.720 0 40 GHAB CCSc1ncc(Cl)c(C(=O)NCCC(=O)Nc2ccc(C)cc2C)n1 41156171 SELWTYJZGONDEQ-UHFFFAOYSA-N 392.912 3.617 0 40 GHAB COc1cccc(C(=O)N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)c1 43171806 IPASKGXNHMRQLX-UHFFFAOYSA-N 395.503 3.983 0 40 GHAB CN(Cc1ccc(Cl)s1)C(=O)CN1CCO[C@H](c2ccc(F)cc2)C1 44736613 ZXDLMWQZPIUMEF-INIZCTEOSA-N 382.888 3.573 0 40 GHAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(C)C)c2)c1=O 44840691 UMFNFMFYRVMGFM-MRXNPFEDSA-N 393.487 3.896 0 40 GHAB O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc(CN2CCCCC2)cc1 44874800 VRQTXDKWSITLDW-UHFFFAOYSA-N 392.952 3.946 0 40 GHAB C[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)CCCOc1ccc(F)cc1 48262722 AXDXMWHXLUEWJL-LBPRGKRZSA-N 396.465 3.882 0 40 GHAB CC(=O)Nc1ccc(F)c(C(=O)OCc2cc(Cl)cc3c2OCOC3)c1 53730163 WHHWQOLAZGHDJY-UHFFFAOYSA-N 379.771 3.661 0 40 GHAB O=C(N[C@@H](CC(F)(F)F)c1ccccc1)[C@H]1CCCN(c2cnccn2)C1 55868418 KMNAUNNQYHGQIQ-HOTGVXAUSA-N 378.398 3.503 0 40 GHAB COCCn1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c2ccccc21 57429224 CYPIDIKTHMWSRX-UHFFFAOYSA-N 384.432 3.566 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(N)nc(Cl)c2)C1 58153664 VCOFRQVPXMBQMH-STQMWFEESA-N 386.883 3.688 0 40 GHAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 58157928 XNWWIPFWXOAJSL-UHFFFAOYSA-N 379.803 3.675 0 40 GHAB CN(C)[C@H](CNC(=O)Nc1cccc(-c2nc(C3CC3)no2)c1)c1ccco1 58307126 RXNJUTPVICLKIW-MRXNPFEDSA-N 381.436 3.631 0 40 GHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc(C(C)C)cc1)CC(O)=N2 71279839 QTXPSLXQQHJHOV-DLBZAZTESA-N 387.505 3.798 0 40 GHAB COc1ccc(NC(=O)c2cn(Cc3ccccc3)c(=O)c3ccccc23)cn1 71285920 BXSMDWHSNMKVRS-UHFFFAOYSA-N 385.423 3.706 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 72271404 PAQYRNYRYGPSSP-ISTRZQFTSA-N 387.480 3.925 0 40 GHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCC[C@H]2CCC[C@H]21 72296895 RCAODMVKNVGYPV-UKRRQHHQSA-N 399.541 3.978 0 40 GHAB Cc1cccc(N2CCN(C(=O)Nc3ccc(N4CCCC4)c(F)c3)[C@@H](C)C2)n1 72313604 UZKVPVPEPSNOAG-KRWDZBQOSA-N 397.498 3.872 0 40 GHAB CCc1cc(N2CCOCC2)nc(C2=CCN(Cc3ccc(Cl)cc3)CC2)n1 72339566 DDEHOMLAHLBLIU-UHFFFAOYSA-N 398.938 3.818 0 40 GHAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72353959 TXKSENVLLIOWOG-NRFANRHFSA-N 395.522 3.922 0 40 GHAB CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)C3CCCC3)C2)c1 72358956 KJRPSSFNZQDLBV-IBGZPJMESA-N 392.503 3.998 0 40 GHAB CC(C)CN1CCC(Nc2c(F)cc([N+](=O)[O-])c(N)c2Br)CC1 78903743 NVGNPJHSSAOTNH-UHFFFAOYSA-N 389.269 3.611 0 40 GHAB CSc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cn1 78997040 UCZRWGRGOGKEQR-UHFFFAOYSA-N 378.519 3.769 0 40 GHAB Cn1nnc2cc(CSc3cc(C(=O)NC4CC4)c4ccccc4n3)ccc21 79105133 XBZZPHXNSWBFSD-UHFFFAOYSA-N 389.484 3.701 0 40 GHAB O=C(O)c1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 79487212 YIMPFIPHYKDECP-INIZCTEOSA-N 387.461 3.804 0 40 GHAB O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1nc(N2CCCC2)ncc1Cl 84522077 LKSDWLZSJWXHOY-AWEZNQCLSA-N 384.789 3.764 0 40 GHAB C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)CSCCc1ccccc1 89904310 SMQHFEVXAZMESA-MRXNPFEDSA-N 381.501 3.760 0 40 GHAB COCCOc1cc(C)ccc1CN[C@H]1CCN(C(C)=O)Cc2ccccc21 95466333 CCIQOZPJTWATCU-QFIPXVFZSA-N 382.504 3.603 0 40 GHAB CCCc1nc(C)c(C(=O)Nc2ccc(OCC(=O)OC)c3ncccc23)s1 95971135 UEGFYVALCPUYLN-UHFFFAOYSA-N 399.472 3.756 0 40 GHAB Cc1cccc(C)c1NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 96105491 DSRMQMSVAOIPKH-UHFFFAOYSA-N 385.508 3.769 0 40 GHAB Cc1ccccc1C(=O)N1C[C@H](C(=O)Nc2cccc(F)c2)C2(CCOCC2)C1 96241084 SQBOMRONDXYDQF-HXUWFJFHSA-N 396.462 3.642 0 40 GHAB CCc1cc(=O)[nH]c(-c2ccc(N[C@H](C)c3cc(OC)c(OC)cc3F)nc2)n1 97212511 XLENLSHHHRCPAJ-GFCCVEGCSA-N 398.438 3.724 0 40 GHAB CCCOc1ccc(/C=C2/N=C(c3ccc(OC)c(OC)c3)OC2=O)cc1OC 97987493 QKIGWDKCCWJYIY-LFIBNONCSA-N 397.427 3.846 0 40 GHAB Cc1cc(C)cc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 102550072 RJGHYKRQCUKQIV-IDPBPBMLSA-N 387.435 3.834 0 40 GHAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118930543 JKXQEBJVZBCFGF-SOMBPCTESA-N 390.520 3.929 0 40 GHAB O=S(=O)(NCc1cncc(-c2ccsc2)c1)c1cccc2cccnc12 206951304 WLABXWOZSFWKCV-UHFFFAOYSA-N 381.482 3.837 0 40 GHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1F 222672338 IEDBQLVZDBKLSL-MRXNPFEDSA-N 386.467 3.537 0 40 GHAB C[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)CCCC2 222905900 UWSUQMHASAPYQL-SFHVURJKSA-N 378.516 3.889 0 40 GHAB COc1ccc(Cl)cc1C(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1 222952153 LBWQSLHMGMPHCD-UHFFFAOYSA-N 379.840 3.647 0 40 GHAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223431298 NWJABBNMPNXQTG-KRWDZBQOSA-N 388.533 3.889 0 40 GHAB Cc1nc(-c2nnsc2C(=O)OCc2ccc(Br)cc2)co1 223861000 CVPMKPDDHYGQTJ-UHFFFAOYSA-N 380.223 3.621 0 40 GHAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 223887558 KGPYYYZVJQMLKA-MGPUTAFESA-N 389.517 3.687 0 40 GHAB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 224515275 QTFFMRBDNQDIAY-SFHVURJKSA-N 384.495 3.600 0 40 GHAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCOCc1ccccc1 224556858 DOJWQGUJSNGOJU-UHFFFAOYSA-N 388.467 3.913 0 40 GHAB CCc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 224637106 PBEFNQRBBRKOJQ-UHFFFAOYSA-N 377.506 3.738 0 40 GHAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)c(C)c1 224993947 WLENGDSGGIZYDI-UHFFFAOYSA-N 379.503 3.719 0 40 GHAB COC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 225773023 YBKUBIAMQNKZDV-UHFFFAOYSA-N 377.462 3.714 0 40 GHAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccc(C(F)(F)F)cc1 253401834 NPBICICUPQLCEZ-INIZCTEOSA-N 384.423 3.818 0 40 GHAB O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 253407295 VVBBPTHRBFIKSJ-LLVKDONJSA-N 394.378 3.842 0 40 GHAB Nc1cc(C(=O)O)ccc1Oc1ccc(Oc2ccc(C(=O)O)cc2N)cc1 255189619 RDAWXSQJXUETJV-UHFFFAOYSA-N 380.356 3.832 0 40 GHAB O=C(c1cnccn1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257242147 IBHDQZVVCNXYLF-QFBILLFUSA-N 399.878 3.665 0 40 GHAB O=C(NCc1ncc[nH]1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 257249712 JJLRQJYTOSBZQB-UHFFFAOYSA-N 393.462 3.872 0 40 GHAB Cc1nccc([C@@H]2CN(Cc3ccc(-c4ccccc4C(=O)O)cc3)CCO2)n1 257257954 KRTCHZPSBBLCGH-QFIPXVFZSA-N 389.455 3.724 0 40 GHAB Cc1[nH]c2ccc(C(=O)NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2c1C 257282859 OVOZTIKLVHLZPK-UHFFFAOYSA-N 396.390 3.922 0 40 GHAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cnc(C)cn3)o2)c1 257304003 SJRHNJLPFIINIX-HXUWFJFHSA-N 392.459 3.740 0 40 GHAB Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c1C 408550765 DVGHLHNQFQKHNK-INIZCTEOSA-N 382.485 3.762 0 40 GHAB Cc1ccc(NC(=O)c2ccc3nc(N4C(=O)CCC4=O)sc3c2)cc1C 408974608 FMFVIKHMXDGLKQ-UHFFFAOYSA-N 379.441 3.819 0 40 GHAB O=C(NC1CCC(F)(F)CC1)N1CCN(c2ccc(F)cc2Cl)CC1 535649775 HSTCBQAFANEZTC-UHFFFAOYSA-N 375.822 3.889 0 40 GHAB Cn1cnc2cccc(C(=O)NCC3(c4ccc(Cl)cc4)CCOCC3)c21 538312146 LPBSJWZRHDACEM-UHFFFAOYSA-N 383.879 3.705 0 40 GHAB COc1ccc(C(=O)N2CCCCC2)cc1NC(=O)[C@H](C(C)C)n1cccc1 575443520 MVZZZESZPXZGOH-FQEVSTJZSA-N 383.492 3.959 0 40 GHAB C[C@]1(c2nc(-c3cccc4sc(C(F)(F)F)nc34)no2)CCC(=O)NC1 580633315 ANXHCKICXYOHHC-HNNXBMFYSA-N 382.367 3.533 0 40 GHAB C[C@@H](c1ccccc1)N1C[C@]2(COCCN(Cc3cccc(F)c3)C2)CC1=O 585104673 QPIQQQQCQBSKIA-MBSDFSHPSA-N 382.479 3.638 0 40 GHAB O=C(NCCOc1ccccc1)NC[C@H](O)c1ccc(-c2cccs2)s1 585147909 HIJCTLDEGUJONB-HNNXBMFYSA-N 388.514 3.888 0 40 GHAB CCCC(=O)N1CCC2(CCCCc3ccccc3O[C@H](C)C(=O)NC2)CC1 643564889 LSYDDZHKUCECPT-GOSISDBHSA-N 386.536 3.705 0 40 GHAB COc1ccc(Cl)c(N2CCN(Cc3cc(C(=O)O)sc3C)CC2)c1 652451447 WLIWIIAYRYSOSJ-UHFFFAOYSA-N 380.897 3.739 0 40 GHAB CC(C)(C)CN1CCC[C@@H](N2CCO[C@H](c3c(F)cccc3Cl)C2)C1=O 1559971487 NCYITWDWOZSZFZ-SJORKVTESA-N 382.907 3.890 0 40 GHAB O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(OCc2ccccn2)cc1 1597050584 OYYDVLHFZNWDQH-UHFFFAOYSA-N 389.440 3.826 0 40 GHAB Cc1ccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1C 1615125356 ZBJHKENIPULOSH-UHFFFAOYSA-N 382.479 3.841 0 40 GHAB CC(C)[C@@H](NCCCn1c(O)nc2ccccc21)c1ccc2c(c1)OCCO2 1645125006 PGRXFQLSGJHFOO-OAQYLSRUSA-N 381.476 3.890 0 40 GHAB O=C1N[C@@H](c2ccccc2)[C@H](O)C[C@]12CCCN(Cc1cc3ccccc3o1)C2 2037873412 IOQNUPGMNYGXSN-SFLYRZDNSA-N 390.483 3.637 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)c(Br)c2)NC(=O)N1C 729876 KYPLONYLBWBQFL-CQSZACIVSA-N 385.233 3.510 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1 849512 YYZKZDXHSNCHDD-UHFFFAOYSA-N 397.456 3.568 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1OC 1379574 VYNGSVLWDJHJNE-KRWDZBQOSA-N 383.448 3.647 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)c2ccc(Br)cc2)cc1 1943666 QBICLZWPIOMRRQ-UHFFFAOYSA-N 378.222 3.643 0 40 GHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)C1=O 2620859 ZTHFMQALJIRQHU-NRFANRHFSA-N 399.878 3.834 0 40 GHAB C[C@@H](On1nnc2ccc(Cl)cc21)C(=O)Nc1cc(Cl)cc(Cl)c1 3343047 CXFPCNPAZAXWDU-MRVPVSSYSA-N 385.638 3.847 0 40 GHAB COc1ccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)cc1OC 4519938 SYHFHGPHXLGOPF-OAHLLOKOSA-N 399.830 3.689 0 40 GHAB COc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC(C)=CC[C@H]4C3=O)cc2)c1 4525257 LTTABOIVTMEXPW-UXHICEINSA-N 390.439 3.793 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccccc2C)C1=O 4607991 UNWRLBYRSODOBM-IQGJIOQQSA-N 384.457 3.774 0 40 GHAB COCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 4815086 UGUFXNRPRGCOCC-ROUUACIJSA-N 382.851 3.645 0 40 GHAB Cc1cc(O)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n1C[C@@H]1CCCO1 4851075 PCTUJZPWTBCRMR-LBPRGKRZSA-N 397.258 3.600 0 40 GHAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1csnn1)C1CCCC1 4965105 ULABKFYTEGDMBA-IBGZPJMESA-N 398.532 3.723 0 40 GHAB O=C1NC2(CCCCC2)N(C(=O)c2cc3ccccc3oc2=O)C2=C1CCCC2 5451162 TWCIKFAOPNZVRZ-UHFFFAOYSA-N 392.455 3.854 0 40 GHAB O=C(CCN1C(=O)COc2ccccc21)OCc1ccc(Cl)cc1Cl 5565480 QLTVZZBRSKTMLS-UHFFFAOYSA-N 380.227 3.852 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc(Br)ccc1Cl 5652394 QLSMKMBKVHWCID-QMTHXVAHSA-N 388.689 3.954 0 40 GHAB CCc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cc(OC)ccc2OC)cc1 5658308 DBDDZQPIWWYSRR-LJQANCHMSA-N 393.530 3.703 0 40 GHAB CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)s1 6225985 DYGXOCKNEZPEAD-UHFFFAOYSA-N 381.870 3.535 0 40 GHAB Nn1c(Cc2ccccc2F)nnc1SCc1ncc(-c2ccccc2)o1 6647995 ZSIUCMZVZAZTNT-UHFFFAOYSA-N 381.436 3.669 0 40 GHAB CCc1ccc(NC(=O)COc2ccc(I)cc2)cc1 7034774 FRAIVLKGUARZTP-UHFFFAOYSA-N 381.213 3.871 0 40 GHAB CCOC(=O)Cn1c([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 7544325 DCBDYHNAQOCKHB-QGZVFWFLSA-N 391.471 3.682 0 40 GHAB COc1cccc(CN(C)CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 7670295 KLGXHZGBOKRFCM-UHFFFAOYSA-N 378.476 3.568 0 40 GHAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCCN1CCCC1 7989745 GJCOBXVPPVBOEI-UHFFFAOYSA-N 393.487 3.849 0 40 GHAB NC(=O)c1ccsc1NC(=O)CN(Cc1ccc(F)cc1)C1CCCCC1 8037059 BBYIZOUQEPLNGK-UHFFFAOYSA-N 389.496 3.760 0 40 GHAB COc1cc(Br)c(CC(=O)NCc2cccc(Cl)c2)cc1OC 8076991 RCUHXRHIMGWHAW-UHFFFAOYSA-N 398.684 3.979 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(C)c2C)c1 8345423 CDWGKVMDYMFPPC-UHFFFAOYSA-N 390.505 3.595 0 40 GHAB CC(C)n1ncc2c(C(=O)NC[C@H](c3ccccc3)N(C)C)cc(C3CC3)nc21 9579092 LQRFBWGVBQQVRJ-OAQYLSRUSA-N 391.519 3.922 0 40 GHAB O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(C(=O)N2CCCCCC2)CC1 9936266 PZVVMWMBMWLNBA-NRFANRHFSA-N 383.536 3.962 0 40 GHAB O=C(Cc1cn2ccsc2n1)Nc1cccc(-c2nnc3n2CCCCC3)c1 10421581 ICJWUUXPZPIXCE-UHFFFAOYSA-N 392.488 3.562 0 40 GHAB O=C(Cn1ccnc1)Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1 10809858 CESRBKIVSNARRR-UHFFFAOYSA-N 383.455 3.863 0 40 GHAB COCCN(Cc1ccccc1)C(=O)CSc1nccn1-c1cccc(C)c1 10888205 KIXKCIRLYVPRQZ-UHFFFAOYSA-N 395.528 3.948 0 40 GHAB Cc1ccc(NC(=O)COc2ccc(C3=CCN(C(N)=O)CC3)cc2)cc1Cl 11092327 PWRGHQLOQPTNCW-UHFFFAOYSA-N 399.878 3.834 0 40 GHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCn1cnc2sccc2c1=O 11238077 JNWDPJMKHLPLLQ-UHFFFAOYSA-N 396.299 3.814 0 40 GHAB COc1cc(CN2C[C@@H]3CCC[C@H](C2)C3N2CCCCC2)cc(OC)c1OC 12252315 JVIBUCSPUGWKAZ-QIDMFYOTSA-N 388.552 3.799 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)/C=C/c1ccc2c(c1)OCO2)CC3 12296794 PPCJBNSBGPQCAP-XVNBXDOJSA-N 376.412 3.503 0 40 GHAB biogenic COc1ccc(CN2C(=O)COc3ccc(C(=O)c4cccs4)cc32)cc1 12328661 QZALOBMKLWHPSK-UHFFFAOYSA-N 379.437 3.913 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)cc4C)ccn3n2)cc1 12414425 VCOXVNQCAPKTKP-UHFFFAOYSA-N 386.455 3.727 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c1 12526098 YKDZIVMUGYSYNG-UHFFFAOYSA-N 375.446 3.595 0 40 GHAB CCCN(Cc1cn2cc(Cl)ccc2n1)S(=O)(=O)c1ccc(F)cc1 12628324 WPDJXPDHXCYSQK-UHFFFAOYSA-N 381.860 3.728 0 40 GHAB COc1ccccc1OCc1nn2c(-c3ccc4ccccc4n3)nnc2s1 13730698 UPQCFTJFIWYIEU-UHFFFAOYSA-N 389.440 3.989 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(C)oc2ccc(OC)cc12 15880515 GSKULUFLOZMVOE-UHFFFAOYSA-N 399.399 3.806 0 40 GHAB biogenic COc1cc(OC)c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1Cl 15949182 USVZETHQDHNDAM-INIZCTEOSA-N 392.864 3.799 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(Br)cc3)CC2=O)cc1 16292903 VAUDGVYTOAOJEL-HNNXBMFYSA-N 388.261 3.854 0 40 GHAB c1cncc(CN(CCN2CCOCC2)Cc2ccccc2OC2CCCC2)c1 19348708 ZRIGTTXAFRNHGF-UHFFFAOYSA-N 395.547 3.737 0 40 GHAB CSCC[C@H]1CN2CCC[C@H]2CN1Cc1c(C)nn(Cc2ccccc2)c1C 19578350 WCJXMESUUHRYGC-VXKWHMMOSA-N 398.620 3.950 0 40 GHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccn2)C1 19591616 JRDOIZBIZOHPNP-RUZDIDTESA-N 399.494 3.570 0 40 GHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2)cc1C 20029904 MLMKZPNMJFNAKW-LBPRGKRZSA-N 384.295 3.806 0 40 GHAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 20029957 UWPBOEISXRTFNX-LBPRGKRZSA-N 399.896 3.795 0 40 GHAB Cc1ccc(C)c(N2CCN(C[C@H](O)c3ccc(Br)cc3)CC2)c1 20218802 ZVOIZJCUTUJNLP-FQEVSTJZSA-N 389.337 3.922 0 40 GHAB CCc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCOC)cc1 21782770 JVUURZUPVXHDSP-JOCHJYFZSA-N 391.471 3.845 0 40 GHAB O=C(CNC(=O)c1cccc(Br)c1)OCc1cccc(Cl)c1 22068944 OFUYRSLDFCFRRW-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCc3sccc3C2)C1=O 22099353 AEAQLQCXDAAMEO-LJQANCHMSA-N 389.908 3.574 0 40 GHAB CS(=O)(=O)N1CCCc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc21 22503306 ZWQXGWSKDLMYOM-UHFFFAOYSA-N 379.869 3.696 0 40 GHAB CCOc1cc(/C=C/C(=O)NCCN(C)c2ccccc2)ccc1OC(F)F 22838558 FBHFKMJYXMRWMH-ZRDIBKRKSA-N 390.430 3.953 0 40 GHAB O=C(Nc1cccc(N2CCOC2=O)c1)c1csc(Cc2ccccc2)n1 24985388 VJVXKIJMCLAUJV-UHFFFAOYSA-N 379.441 3.943 0 40 GHAB CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc3c(c2)CCC(=O)N3)cc1 25457491 KWOMKGHOXJDWTF-OAQYLSRUSA-N 394.471 3.713 0 40 GHAB COc1ccc(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)c(OC)c1 27922353 UXSNLJZKIMVDHQ-UHFFFAOYSA-N 383.423 3.957 0 40 GHAB CC(C)CN1C[C@@H](C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1=O 30165584 FYCZTNCBAOUCFO-UWJYYQICSA-N 382.529 3.727 0 40 GHAB COc1ccc(CSCC(=O)NCc2ccccc2-n2ccnc2C)cc1 30861717 DHDVUWWLTUCJMG-UHFFFAOYSA-N 381.501 3.739 0 40 GHAB COc1ccc([C@@H](CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)NC(C)=O)cc1 32901531 QFQHQOILKSPPAM-NHCUHLMSSA-N 384.451 3.765 0 40 GHAB Cc1ccc(-c2nc(CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)co2)c(C)c1 40057033 DKYPRVRPBCHPSV-QHCPKHFHSA-N 387.439 3.852 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)nc1 40086536 XJSZUBWHNJVGLR-OAHLLOKOSA-N 378.259 3.940 0 40 GHAB CNS(=O)(=O)Cc1ccccc1CNCc1cccc(Oc2ccccc2)c1 40088624 BYOZZNPNIKDLCT-UHFFFAOYSA-N 396.512 3.818 0 40 GHAB O=C(Cc1ccc2c(c1)OCCCO2)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 40282903 WGDCDBXYXCYTJG-UHFFFAOYSA-N 391.349 3.924 0 40 GHAB NC(=O)COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)c1 40285109 QFAXBYHQZSAYKJ-CQSZACIVSA-N 396.834 3.513 0 40 GHAB COc1ccc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1F 47322648 HEHOYDSEKOASAP-UHFFFAOYSA-N 375.419 3.760 0 40 GHAB O=C(NCc1ccc(-n2cncn2)cc1)c1ccc(C2SCCS2)cc1 47371138 TVPSAYJHWZZDCG-UHFFFAOYSA-N 382.514 3.676 0 40 GHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c1 48355028 CJSACSLCNGCLQX-AUSJPIAWSA-N 382.460 3.516 0 40 GHAB Cc1ccc2c(Nc3ccc4c(c3)OCCO4)c(C(=O)N3CCCC3)cnc2n1 49004597 CQGSWHDQORXPAI-UHFFFAOYSA-N 390.443 3.689 0 40 GHAB O=C(c1cn(Cc2ccccc2)nn1)N1CCCc2cc(OC(F)F)ccc21 56237684 URCQZECBORKPNV-UHFFFAOYSA-N 384.386 3.521 0 40 GHAB CCCCN(CC)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccccc1 67236683 NARGCLWYOUXWGE-UHFFFAOYSA-N 398.532 3.763 0 40 GHAB O=C(CN1CCCCCN=C1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 67321242 WFIAZFQDVXJVRU-UHFFFAOYSA-N 382.435 3.712 0 40 GHAB CC(C)CCNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)OC(C)(C)C 68605632 JCBHSQLFZICSHY-IBGZPJMESA-N 385.508 3.992 0 40 GHAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccnn2C2CCCCC2)CC1=O 72102545 UGDOBFYHXDDSRU-INIZCTEOSA-N 396.491 3.697 0 40 GHAB CCc1nc(COC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)cs1 72270405 KWDHLEGVRLETBZ-CQSZACIVSA-N 396.921 3.617 0 40 GHAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3ccnn3C)C2)n1 72354089 NPKQCXBJVCMIMH-IBGZPJMESA-N 392.478 3.873 0 40 GHAB O=C(c1ccccn1)N1CCC[C@@H](c2cncc(Oc3cccc(F)c3)n2)C1 72362259 JFMJYRWKFQRZEJ-OAHLLOKOSA-N 378.407 3.823 0 40 GHAB COc1ccc(CSc2nnc(COc3cc(C)ccc3C(C)C)n2N)cn1 79015375 SKEBYCAHSCVOHI-UHFFFAOYSA-N 399.520 3.699 0 40 GHAB CCN1CCC[C@H]1CNC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 96114404 VEIYYDIBKOCFJA-INIZCTEOSA-N 396.487 3.607 0 40 GHAB biogenic CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)c2ccc(-c3cccs3)cc2)C1 96120110 VFCQRMIJEJJVOJ-INIZCTEOSA-N 377.531 3.843 0 40 GHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1 96121933 FYTDUQFUEXDXFP-UHFFFAOYSA-N 390.427 3.669 0 40 GHAB COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccccc3)n2)cc1F 98211456 FFYPQGQJLUUTSZ-UHFFFAOYSA-N 392.390 3.992 0 40 GHAB CO[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1Cl 158471446 UDQDDHVSAKSIJZ-OAHLLOKOSA-N 385.222 3.575 0 40 GHAB CN(Cc1ccccc1)C(=O)[C@@H](C(=O)c1ccc(Cl)cc1)n1ccccc1=O 199425029 AWCCYDDQYODGOZ-HXUWFJFHSA-N 394.858 3.584 0 40 GHAB CC(C)CCNc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)O 217612987 YIKXIWQNWDXMOA-HNNXBMFYSA-N 390.505 3.882 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1F 223756529 BPYZXVVXHPUNNH-QGZVFWFLSA-N 382.479 3.844 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 224100812 SWGFVTXEJRIBOP-LJQANCHMSA-N 396.531 3.817 0 40 GHAB COc1ccc(-c2nnc(NS(=O)(=O)c3c(C)cc(C)cc3C)s2)cc1 224698559 ZCRQFPJOXIGDNL-UHFFFAOYSA-N 389.502 3.940 0 40 GHAB CSc1ccc(S(=O)(=O)NCCc2ccccc2)cc1NC(=O)C(C)C 224931907 SDFOMJYZUBZCIQ-UHFFFAOYSA-N 392.546 3.524 0 40 GHAB Cc1ccnc(NC(=S)NCCCNc2ccnc3cc(Cl)ccc23)n1 225215721 GFHFQZJLBYGHNR-UHFFFAOYSA-N 386.912 3.775 0 40 GHAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1c(F)cccc1F 225728420 FFGFOKHUTNAKEU-UHFFFAOYSA-N 393.187 3.681 0 40 GHAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1OC 225769392 BDUKUIHVVXQJLI-UHFFFAOYSA-N 383.444 3.559 0 40 GHAB CCOc1cc(CNC(=S)Nc2cc(C(=O)OC)ccc2C)ccc1OC 225770601 ULMXDARZZQQBEG-UHFFFAOYSA-N 388.489 3.676 0 40 GHAB Cc1ccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(O)(c2ccc4c(c2)OCO4)C3)c(C)c1 247890972 VJSAVHCQKDQINS-ZJOUEHCJSA-N 395.499 3.580 0 40 GHAB Oc1cccc(CN2CCC3(CC2)Oc2c(O)cccc2[C@H]2OCCC[C@@H]23)c1 257213098 CGDYSNWZDIIJSR-PZJWPPBQSA-N 381.472 3.993 0 40 GHAB O=C(O)CN(Cc1cc(F)cc(F)c1)C1CCN(c2ccc(F)cc2)CC1 257239797 HQUXEFSMIREUQB-UHFFFAOYSA-N 378.394 3.660 0 40 GHAB Cc1ncoc1C(=O)N(C)[C@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257312585 UOQJWGUUKWXMTM-CQRJNKKSSA-N 398.503 3.690 0 40 GHAB Cc1cc(CN2CCC[C@]3(CN(CCC(C)(C)C)CC(F)(F)C3)C2=O)n(C)n1 306142012 WMTDLQJSPCLBKF-FQEVSTJZSA-N 396.526 3.615 0 40 GHAB CCc1ncnc(O[C@H]2CCN(C(=O)c3ccccc3SC(F)F)C2)c1F 390828498 RJSVUAYVGXOCEA-NSHDSACASA-N 397.422 3.786 0 40 GHAB COc1ccc(C(=O)Nc2ccc(I)cn2)cc1Cl 408623328 STHFJKBZMQEXLW-UHFFFAOYSA-N 388.592 3.601 0 40 GHAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408765822 QNURWGFIXFNFFA-YVLHZVERSA-N 399.424 3.639 0 40 GHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c1 409315622 NVQMASBOJOGKON-WOJGMQOQSA-N 396.468 3.987 0 40 GHAB CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(Oc2ccncc2C)CC1 585084816 OCZZBMSDELKOOQ-LJQANCHMSA-N 381.520 3.670 0 40 GHAB COC1(c2nc(-c3cn([C@@H](C)c4ccccc4F)nn3)cs2)CCOCC1 606446014 PPBDJCFYSWTGAR-ZDUSSCGKSA-N 388.468 3.802 0 40 GHAB CO[C@H]1C[C@H](NC(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)C1 626512031 CVBNSJZPSFNVQR-FRFSOERESA-N 396.413 3.569 0 40 GHAB CCN(Cc1ccccc1NC(=O)N1CCC([C@@H]2CCCCO2)CC1)C(C)=O 665534306 OVKJFTLEZXYPGV-NRFANRHFSA-N 387.524 3.868 0 40 GHAB CCCN(Cc1ccc(F)cc1F)C(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1 1543460348 DXAZPLWIWVTQDT-UHFFFAOYSA-N 379.407 3.696 0 40 GHAB Cc1cc(C)c(S(=O)(=O)NCCc2ccc(-c3ccnn3C)cc2)cc1C 1889299863 JLMCDIREYFDBNY-UHFFFAOYSA-N 383.517 3.533 0 40 GHAB Cc1ccc(C(=O)N2CCC(F)(F)[C@]3(CCN(c4cccc(F)c4)C3)C2)cn1 2055803802 XHBVYOCCVYZTMS-FQEVSTJZSA-N 389.421 3.907 0 40 GHAB CCc1nccn1CC1CN(c2ncc(Br)cc2C(F)(F)F)C1 2086861121 KQQGXZNAGVYYOG-UHFFFAOYSA-N 389.219 3.758 0 40 GHAB COC(=O)c1ccoc1COC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 24105541 OWWORBFVDCLRPU-UHFFFAOYSA-N 375.377 3.770 0 40 GHAB COc1ccc(OCc2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1 876120 LVVLRWKXVLTTNM-UHFFFAOYSA-N 386.429 3.641 0 40 GHAB Cc1nnc(SCC(=O)Nc2cccc3ccccc23)n1C[C@H]1CCCO1 915403 WBLIVWHLYTVGAH-MRXNPFEDSA-N 382.489 3.650 0 40 GHAB Cc1nc2ccc(Br)cc2c(N2CCC3(CC2)OCCO3)c1C 78903757 FXWFTQOOBQDNNE-UHFFFAOYSA-N 377.282 3.957 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)O 1747367 PUKIGCHCNIOKOQ-XHDPSFHLSA-N 382.243 3.573 0 40 GHAB O=C(Nc1ccc(N2CCCC2)c(F)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 55777188 LHYCKWRFNOPYHT-CQSZACIVSA-N 385.414 3.557 0 40 GHAB C[C@H]1CCCCN1C(=O)CNc1cc(Cl)ccc1C(=O)N1CCCCC1 55851888 YURGBCBEEHSNHU-HNNXBMFYSA-N 377.916 3.779 0 40 GHAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCC(c2ccccc2)=N1 6063130 SNZVDROQWOQFSN-UHFFFAOYSA-N 394.446 3.817 0 40 GHAB O=C(COC(=O)c1cc(Cl)ccc1Cl)NC(=O)Nc1ccccc1F 7108569 ZWEWEVOWTSKFFH-UHFFFAOYSA-N 385.178 3.638 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccc2c(C)cc(=O)oc2c1C 7464854 OLPAAXJEEAPRKD-UHFFFAOYSA-N 397.427 3.793 0 40 GHAB O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 7758392 LCGRLXBDIREHMY-UHFFFAOYSA-N 392.386 3.737 0 40 GHAB Cc1cc(C)nc(Nn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)n1 8570183 XGXAEUGABTURIJ-UHFFFAOYSA-N 377.835 3.999 0 40 GHAB Nn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1C1CCCCC1 8986160 FQGCWLAYRVVZLL-UHFFFAOYSA-N 399.442 3.789 0 40 GHAB CC1CCN(c2nc3nccc(-c4ccc(Br)cc4)c3c(=O)[nH]2)CC1 22606926 JLTWYGCQOLHIPQ-UHFFFAOYSA-N 399.292 3.984 0 40 GHAB COc1ccc(CCNC(=N)NCc2ccc(OCCC(C)C)c(OC)c2)cc1 57887436 ZLTAOUYYMLGVGG-UHFFFAOYSA-N 399.535 3.985 0 40 GHAB Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC(C)C)CC2)c1 9063034 YCSXVDSCWURMHO-UHFFFAOYSA-N 393.531 3.984 0 40 GHAB O=C(Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2)c1ccc(F)cc1 27663086 MCJPPVVPIMYGBG-UHFFFAOYSA-N 395.459 3.953 0 40 GHAB O=C(NCCc1ccccc1)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 22481294 XFNCMSLREOOUIA-OAQYLSRUSA-N 386.499 3.719 0 40 GHAB Cn1c(SCC(=O)Nc2ccnc3ccccc23)nnc1-c1cccs1 2205922 AFMVUOKKVOYTQZ-UHFFFAOYSA-N 381.486 3.823 0 40 GHAB Cc1ccc(-n2c(S[C@H](C)C(=O)NC(C)(C)C)nnc2N2CCCC2)cc1 11135404 UQUXFOPERCDSLL-OAHLLOKOSA-N 387.553 3.571 0 40 GHAB CCN1CCN(c2nc(-c3ccc(Br)cc3)cc(C(F)F)n2)CC1 36618597 FDQDDJGVQIZOPB-UHFFFAOYSA-N 397.267 3.986 0 40 GHAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCCCn3nccc3C)c12 36614240 JSROHDXJPYRVAV-UHFFFAOYSA-N 393.422 3.662 0 40 GHAB Cc1cc(C(=O)Nc2c(C)noc2C)c2c(C)nn(Cc3ccccc3)c2n1 36616442 KUHHKVBSSFYUGA-UHFFFAOYSA-N 375.432 3.954 0 40 GHAB CCOc1cccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 22395550 XWVQRTJGTXZYMA-UHFFFAOYSA-N 390.505 3.613 0 40 GHAB CCN(CC)[C@@H](CNC(=O)NCCc1cccs1)c1cccc(OC)c1 29324559 VLRFWESCYKDDBT-IBGZPJMESA-N 375.538 3.682 0 40 GHAB O=c1ccc(-c2ccc(F)cc2)nn1C[C@@H](O)COc1cccc2ccccc12 60333864 JTTSFUAZOSDDJY-LJQANCHMSA-N 390.414 3.643 0 40 GHAB Cc1ccccc1-n1ncc(C(=O)N2CC[C@H](N3CCCC3)C2)c1C(F)(F)F 60374020 MNUGYABXSQRGOM-HNNXBMFYSA-N 392.425 3.510 0 40 GHAB CCC(C)(C)n1nnnc1[C@H](C(C)C)N1CCN(c2cccc(C)c2C)CC1 57669885 MEAGREADLZFFCG-FQEVSTJZSA-N 384.572 3.954 0 40 GHAB COc1cc(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)ccc1C 47928242 SUWGKNNDGLNVOP-UHFFFAOYSA-N 387.867 3.647 0 40 GHAB CCc1nn(C)cc1CNc1cc(Br)cnc1OCC(F)(F)F 97045282 LIFAIVILWWIMPQ-UHFFFAOYSA-N 393.207 3.693 0 40 GHAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCC(C(=O)N2CCCC2)CC1 12752203 WFQBMTQFUFWBPJ-CYBMUJFWSA-N 398.334 3.655 0 40 GHAB CCOc1ccc(OCC)c(-c2csc(NC(=O)c3cnc(C)cn3)n2)c1 12742643 MLICNRNLEZXCKB-UHFFFAOYSA-N 384.461 3.958 0 40 GHAB COCCn1c(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)nc(C)c1C 48355383 FSHDBGURXVHWSN-ZDUSSCGKSA-N 390.534 3.875 0 40 GHAB Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2cccc3ncccc23)c1C 12899854 KYNPQCXOBURWOS-QGZVFWFLSA-N 390.487 3.749 0 40 GHAB COc1ccc(CCNC[C@H](O)COc2ccc(OC)cc2C(C)(C)C)cc1 3413624 AOUQBZQEYAPCCP-SFHVURJKSA-N 387.520 3.573 0 40 GHAB COC(=O)c1ccc(CSc2nnc(Nc3ccc(OC)cc3)s2)o1 3500442 UCMHDODPGPFICT-UHFFFAOYSA-N 377.447 3.962 0 40 GHAB COc1ccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1OC 20143231 RFISACRJICOARM-UHFFFAOYSA-N 383.400 3.717 0 40 GHAB Cc1ccc2nc(-c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)c3)cn2c1 13058890 OYVSHSIYQRRBRE-CALCHBBNSA-N 383.517 3.976 0 40 GHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C 13013088 LSLNBXCWYYJPBX-UHFFFAOYSA-N 396.466 3.964 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13004427 MDQBLCUWGHEKMM-INIZCTEOSA-N 394.471 3.881 0 40 GHAB C[C@@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)NCc2ccccc2Cl)N=C1O 9053111 FYRBWWSUTJMOOW-KSSFIOAISA-N 399.878 3.622 0 40 GHAB C/C(Nc1cccc(C(F)(F)F)c1)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 9015700 FXBHAMCQOUDECR-PTNGSMBKSA-N 395.381 3.802 0 40 GHAB COc1ccc(-c2noc(Cc3nnc(-c4ccc(F)cc4)o3)n2)cc1OC 65185500 OCYARJGEKGRNMY-UHFFFAOYSA-N 382.351 3.534 0 40 GHAB CCn1c([C@H]2CCCN2C(=O)c2ccc([S@@](C)=O)cc2)nc2ccccc21 72230286 PNXKNWHEMOUJRH-WINIVTDRSA-N 381.501 3.771 0 40 GHAB C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2CC(=O)OC23CCCCC3)cc1 5274456 VCDROTZKUUDCHO-QFBILLFUSA-N 398.503 3.906 0 40 GHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCc2cc(C)on2)cc1 5320923 OUFHKIXVAPSOLJ-UHFFFAOYSA-N 394.427 3.920 0 40 GHAB CCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 14199816 MUVNNVBXABRPQQ-UHFFFAOYSA-N 386.517 3.700 0 40 GHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc(Br)c2)C1=O 4514471 ZIALLGLACPPNFT-SFHVURJKSA-N 391.240 3.946 0 40 GHAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cc4c(cc2Cl)OCO4)N3)C1 4556141 ZXTUDZMGYCYUNA-INIZCTEOSA-N 391.880 3.937 0 40 GHAB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)NCCC1=CCCCC1 4698859 CSVWXJWPCQBHAE-UHFFFAOYSA-N 385.291 3.955 0 40 GHAB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 5529848 MJDYUFYIOGAURV-FZHISCEWSA-N 385.504 3.771 0 40 GHAB biogenic Cc1c(CC(=O)Nc2nccs2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 6624644 JPUMHDDVQMIVAJ-UHFFFAOYSA-N 384.457 3.843 0 40 GHAB biogenic Cc1nc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(F)c3)n2C)sc1C 4736266 HXUBXSXKGZRELK-NSHDSACASA-N 391.497 3.814 0 40 GHAB CCOc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccnc3)cc2C1=O 4749477 WDTXFYVHNUREPW-UHFFFAOYSA-N 387.395 3.533 0 40 GHAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 4988771 ZEBKIWPPYDAPIY-FOIQADDNSA-N 384.428 3.681 0 40 GHAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)N[C@@H](c1ccccc1)c1cccs1 7047052 VHZXBVOKZVRCMY-FQEVSTJZSA-N 396.512 3.663 0 40 GHAB Cc1cc(C)c2c(=O)[nH]c(SCc3nnc(-c4ccc(Cl)cc4)o3)nc2n1 16045927 IUBBMPUIJSZLMY-UHFFFAOYSA-N 399.863 3.931 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4ccccn4)cs3)CC2=O)cc1 7974017 SNQJTZSYVMXWFG-AWEZNQCLSA-N 378.457 3.505 0 40 GHAB CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C)c(Cl)c2)CC1 9504306 DUUMCTHXPFSGCC-UHFFFAOYSA-N 385.895 3.959 0 40 GHAB COc1ccc(CN(C(=O)CCNC(=O)c2ccccc2Cl)C2CC2)cc1 8164088 BVTWHAJWXAGDOX-UHFFFAOYSA-N 386.879 3.660 0 40 GHAB C[C@H](NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccco1 8313376 ATMRXWBQKTZVGQ-NSHDSACASA-N 385.470 3.657 0 40 GHAB O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2cccs2)N1C[C@H]1CCCO1 8778756 POZHRHWAXOXEHD-YJYMSZOUSA-N 380.473 3.884 0 40 GHAB COc1ccc([C@H](CNC(=O)c2cccc(NC(C)=O)c2)N2CCCCC2)cc1 8772509 LTHKREXXEBQLBF-QFIPXVFZSA-N 395.503 3.611 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1OC 408698880 SNWBGALDGMPUEG-UHFFFAOYSA-N 376.478 3.968 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c1 95953709 XIZCDDZZKGLFMM-UHFFFAOYSA-N 395.484 3.890 0 40 GHAB COc1cc(NC(=S)NC(=O)c2ccc(C)cc2)ccc1-c1ccc(CO)o1 20151591 BVFRNOZXIDIWMY-UHFFFAOYSA-N 396.468 3.883 0 40 GHAB COc1ccc(S[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 22535101 MSCSXRMEKYAEBO-MRXNPFEDSA-N 386.517 3.533 0 40 GHAB Cc1nc(NC(=O)c2cncc(Br)c2)sc1-c1ccccn1 24031631 RZNQVNNVSZEBFX-UHFFFAOYSA-N 375.251 3.923 0 40 GHAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C)c(Br)c2)NC(=S)N1 408604460 JJWQEKFMZCPRLE-OAHLLOKOSA-N 397.338 3.894 0 40 GHAB COc1ccc(CN2CCN(c3nccc4sccc34)CC2)c(OC)c1OC 559067090 ZFXDGFWUHIJORO-UHFFFAOYSA-N 399.516 3.644 0 40 GHAB COc1ccc(Br)cc1CN(C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 36713600 LEDCYKNYWBNCCU-CKEIUWERSA-N 397.357 3.830 0 40 GHAB COc1cc2s/c(=N/C(=S)NC(=O)c3ccc(F)cc3)[nH]c2cc1Cl 32126679 JDWKQOIPCFFYBM-UHFFFAOYSA-N 395.868 3.646 0 40 GHAB CC1CCN(c2nc(O)c3c(n2)CN(Cc2cnc4ccccc4c2)CC3)CC1 72335474 QYHIILHPJVBZIU-UHFFFAOYSA-N 389.503 3.525 0 40 GHAB CN1CCN(c2ncccc2[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 72216613 TZIPWGPIQLMKKV-OAQYLSRUSA-N 394.519 3.697 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)N[C@@H](c3ccccc3)C3CCCC3)cnc12 40145842 WZYHHVWYKSAJDZ-QFIPXVFZSA-N 375.472 3.753 0 40 GHAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 42646027 PTUVBNWCVHMBPE-UHFFFAOYSA-N 376.243 3.772 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(Cl)c1 223886876 KWUUQDFQHIHLHY-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 222890676 QQOKIWLZUJNWJT-VQTJNVASSA-N 377.517 3.709 0 40 GHAB COc1ccccc1OCCNS(=O)(=O)Cc1c(Cl)cccc1Cl 224214067 QHAVOOAGNOUOLP-UHFFFAOYSA-N 390.288 3.500 0 40 GHAB COC(=O)CSc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 224716516 ZKIBSRNFPZLEFM-UHFFFAOYSA-N 385.470 3.723 0 40 GHAB Cc1ccc(Cn2cc(-c3noc(C(=O)Nc4ccc(Cl)cc4)n3)nn2)cc1 49410306 OHOZYDMECPCOCE-UHFFFAOYSA-N 394.822 3.591 0 40 GHAB COc1cccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)N(C)C)c1OC 77171680 IMDYDVZXYRPAHZ-IBGZPJMESA-N 396.491 3.620 0 40 GHAB COC(=O)c1ccc(OC)c(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 225289797 UMVVQMPWISEQAN-AWEZNQCLSA-N 383.444 3.767 0 40 GHAB O=C(c1ccco1)N1CCC2(CC1)CN(Cc1cccnc1)Cc1ccccc12 96242528 SAIRHHBVTIFTMG-UHFFFAOYSA-N 387.483 3.864 0 40 GHAB O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(Br)c(F)c1 98072822 PXCGUZDJARIYDU-UHFFFAOYSA-N 378.650 3.720 0 40 GHAB Cc1cnc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)nc1-c1ccccc1 578300881 OBBKHIHHKMHNLW-TUVASFSCSA-N 377.366 3.746 0 40 GHAB C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCCC[C@@H]1c1nnc(CN(C)C)o1 583621961 ZSUDGINTHBCUDI-ABDJAZHISA-N 388.899 3.942 0 40 GHAB CC1(c2ncc(Cc3ccc(F)cc3)o2)CCN(C(=O)c2cccc(O)n2)CC1 257313202 URJRNRDIQCSQRK-UHFFFAOYSA-N 395.434 3.699 0 40 GHAB C[C@]1(O)CN(Cc2cccc(Br)c2)CC[C@@H]1Oc1ccccc1 257203632 AQXWLBPWCMTETN-OALUTQOASA-N 376.294 3.853 0 40 GHAB CN(C)C(=O)c1sc2nc([C@@H]3CCCCN3Cc3ccccn3)ccc2c1N 257245571 IQEISANKOLWICZ-KRWDZBQOSA-N 395.532 3.703 0 40 GHAB O=S(=O)(Cc1noc([C@@H]2CCOc3ccc(Cl)cc32)n1)c1ccccc1 585084317 IRTKPOYJRQUNFB-CQSZACIVSA-N 390.848 3.611 0 40 GHAB COc1ccc(C(C)=O)cc1COC(=O)CCc1c(C)nc(SC)nc1C 26705217 NIKCPSCPAXXNGM-UHFFFAOYSA-N 388.489 3.703 0 40 GHAB Cc1ccnc([C@H]2COCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257230663 GDIHENDVZBCZNM-OAQYLSRUSA-N 389.455 3.724 0 40 GHAB Cc1c[nH]c(-c2cc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc(C)n2)n1 257309947 UCZXSHIERABPIC-KRWDZBQOSA-N 393.466 3.571 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)c(F)c1 591389276 HWQNOYHHYPASTM-INIZCTEOSA-N 388.508 3.738 0 40 GHAB CC1(C)CC(=O)c2cc(NC(=O)NC[C@@H]3Cc4ccccc4CO3)ccc2O1 626560419 RWLJOYBRLPFBGW-KRWDZBQOSA-N 380.444 3.693 0 40 GHAB O=C(Nc1cccc(CNC(=O)N2CC3(C2)CC3(F)F)c1)C1CCCCC1 654406262 QOCGWYJSSHAKDQ-UHFFFAOYSA-N 377.435 3.756 0 40 GHAB COCc1nccc(NC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)n1 667961799 XFJDBXOGNBFWGM-UHFFFAOYSA-N 390.434 3.778 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)NC[C@](O)(c1ccoc1)c1ccco1 390826610 NVEKQZCPBLBKCH-SFHVURJKSA-N 396.226 3.611 0 40 GHAB O=S(=O)(NCc1ccc(-c2ccoc2)nc1)c1ccc(OC(F)(F)F)cc1 390829671 FVAQYXCCSLVCRE-UHFFFAOYSA-N 398.362 3.719 0 40 GHAB Cc1cc(CSc2ccccc2C(=O)N(C)Cc2cccc(C(N)=O)c2)on1 40157292 JFLLQPGJEYJIIV-UHFFFAOYSA-N 395.484 3.646 0 40 GHAB O=C(NC[C@H]1CCCN(Cc2cccs2)C1)NC[C@H]1CCC2(CCCC2)O1 654413447 VCLINRZEUQBSMV-QZTJIDSGSA-N 391.581 3.751 0 40 GHAB Cc1cccc(COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)c1 5226203 ZTPHGVVSVYFKIU-SFHVURJKSA-N 395.908 3.695 0 40 GHAB COc1ccccc1-n1cnnc1SCc1cc(Cl)c2c(c1)OCCO2 5260229 DRJGMFUSSSSELN-UHFFFAOYSA-N 389.864 3.993 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)c1 5977198 XJTFWCVLACAFQW-IBGZPJMESA-N 386.448 3.593 0 40 GHAB O=C(c1ccccc1F)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1 12158082 URHMNRYGHGXYNX-UHFFFAOYSA-N 383.448 3.588 0 40 GHAB COc1ccccc1C1(NC(=O)COc2ncnc3ccccc23)CCCC1 12197464 QVGPOQKXRGAHJX-UHFFFAOYSA-N 377.444 3.603 0 40 GHAB CN1C[C@@H](NC(=O)Nc2ccc(F)cc2F)C[C@H]1c1nc(-c2ccccc2)no1 12530094 ALQIPBCOPJTNCA-YOEHRIQHSA-N 399.401 3.582 0 40 GHAB biogenic,in-vitro O=C(CNC(=O)Cc1ccccc1)NCc1ccc(Oc2ccc(F)cc2)cc1 12625457 XDUIDCAGHVQGDV-UHFFFAOYSA-N 392.430 3.593 0 40 GHAB COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccs2)cc1 12752224 ONHQUJJDFDUNAQ-GOSISDBHSA-N 387.482 3.603 0 40 GHAB COc1ccc(CCC2CCN(C(=O)CNC(=O)c3cccc(C)c3)CC2)cc1 12990656 GHDHDZAOELWRDR-UHFFFAOYSA-N 394.515 3.605 0 40 GHAB Cn1c(COc2ccccc2Cl)nnc1SCC(=O)NC1CCCCC1 13841799 DPDWBRUTSRAXCW-UHFFFAOYSA-N 394.928 3.589 0 40 GHAB COc1cccc([C@@H](NC(=O)COc2ccc(Cl)c(C)c2)c2nccn2C)c1 18237602 DPWWOBLOXKZJQH-HXUWFJFHSA-N 399.878 3.675 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)cc1OC 19078644 BQBXKGXOHZKMTM-PBHICJAKSA-N 399.443 3.564 0 40 GHAB Cc1c(CN2CCO[C@@H](c3ccc(Cc4ccccc4Cl)cn3)C2)cnn1C 19692992 NJAGBNYWBOJDEC-JOCHJYFZSA-N 396.922 3.941 0 40 GHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)c2c(C)cc(C)n(C)c2=O)n1 12227913 NKZACRWPZJQENX-HNNXBMFYSA-N 387.530 3.542 0 40 GHAB CCOCc1cc(CN2CCC(c3n[nH]c4ncccc34)CC2)ccc1OC 12221248 UOJAWDOZEPVAPQ-UHFFFAOYSA-N 380.492 3.883 0 40 GHAB COCCNC(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1 2622939 ILXYJEGTHJVELT-UHFFFAOYSA-N 382.485 3.765 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@@H]2CN(c3cc(C4CCC4)ncn3)C[C@@H]2C1 1888876053 ISWLKGCQIULKHS-GASCZTMLSA-N 389.425 3.731 0 40 GHAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)NCCCCc1ccccc1 22203683 KYPZVZFDPRGTRW-UHFFFAOYSA-N 384.480 3.842 0 40 GHAB Cc1cccc(C)c1CN1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037977875 SPLYWUDSYFDANE-HSZRJFAPSA-N 382.479 3.841 0 40 GHAB FC(F)(F)c1cccnc1N1C[C@@H]2CN(Cc3cc(C4CC4)on3)C[C@H]2C1 2086968327 LNTOWILNOGKHMC-KBPBESRZSA-N 378.398 3.534 0 40 GHAB COc1c(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)ccc(Cl)c1Cl 2087112276 BYXGWPXLDGSEEK-UHFFFAOYSA-N 389.260 3.761 0 40 GHAB O=C(CSc1nnc2ccc(-c3ccc(Cl)cc3)nn12)NC1CCCC1 5167408 ZDRJUTGMCJKHLW-UHFFFAOYSA-N 387.896 3.596 0 40 GHAB Cc1ccc(C(=O)NC2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cn1 2055816063 OATHPTXXWONBRR-UHFFFAOYSA-N 377.488 3.624 0 40 GHAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)c1ccc(C(F)(F)F)cc1 22765731 VJXZPGYAJCCPAE-MRXNPFEDSA-N 384.423 3.570 0 40 GHAB CCOCc1ccccc1CNC(=O)c1ccc(Cl)cc1N1CCCC1=O 30177676 AUKGXZHPUYVIQQ-UHFFFAOYSA-N 386.879 3.933 0 40 GHAB CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(-n2cccn2)nc1 40062775 OMJYYSBXIOMCEV-UHFFFAOYSA-N 392.444 3.600 0 40 GHAB COc1ccc2c(CC(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)coc2c1 20016519 RILXNUOTHIERST-OAHLLOKOSA-N 390.443 3.784 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3[nH]c4ccccc4c3Cl)CC2)cc1 40144251 MNQGPVPLBZIASX-UHFFFAOYSA-N 381.863 3.986 0 40 GHAB Cc1ccc([C@H]2CCCN2C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)cc1 31940940 IVOPAQZHWSHARA-PVGBUVFQSA-N 398.528 3.639 0 40 GHAB CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2ccc(F)cc21 32093729 ZYEVGOSTUGMDSM-HXUWFJFHSA-N 396.809 3.919 0 40 GHAB COCCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccccc1F 21782800 SFJJUUXDQXDMJW-OAQYLSRUSA-N 395.434 3.812 0 40 GHAB COc1ccc(N[C@H](NC(=O)c2ccc(OC)cc2)C(=O)c2ccccc2)cc1 631804 LXESOVBKJGWTSD-JOCHJYFZSA-N 390.439 3.755 0 40 GHAB CC(C)c1ccc(NC(=S)N2CCCC[C@@H]2CCN2CCN(C)CC2)cc1 22935541 CPHGHYSIZGJMIL-OAQYLSRUSA-N 388.625 3.999 0 40 GHAB CCN1CCCC[C@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 104317542 QVBRSUBKBMNDHQ-SFHVURJKSA-N 398.469 3.744 0 40 GHAB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCCC2)c1OC 1293498 GZVHTGXMSQAZRX-KRWDZBQOSA-N 399.516 3.539 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2OC)nc1 1352973 CTDLPTQFHTUYLJ-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB CCCCCn1c(N)c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc21 2401660 SBCQCGHJGQEQDQ-CQSZACIVSA-N 382.464 3.693 0 40 GHAB Cc1ccc2nc(-c3ccc(NC(=S)N[C@@H]4CCOC4=O)cc3)sc2c1 2655439 NFFXZRSOEOJZOE-OAHLLOKOSA-N 383.498 3.874 0 40 GHAB COCc1nnc(S)n1-c1c(C)nn(Cc2ccc(Cl)c(Cl)c2)c1C 2730795 CMIQVOOWDXTLKY-UHFFFAOYSA-N 398.319 3.871 0 40 GHAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC(Cc3ccccc3)CC1)C(=O)C2 3288779 CMJBXHCEWSTHJG-DENIHFKCSA-N 389.561 3.666 0 40 GHAB Cc1ccc(CNC(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 3489070 NEPVWNBWUDJRNB-UHFFFAOYSA-N 387.435 3.699 0 40 GHAB CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 4144307 PYAOUMLERCDKJI-CQSZACIVSA-N 388.411 3.630 0 40 GHAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1nc2ccc(Br)cc2s1 4175204 YRLQTVLZBUOZGD-BCWBERDBSA-N 393.262 3.520 0 40 GHAB O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)OCc1ccccc1 4519323 LOTKFDNZCFBTGI-INIZCTEOSA-N 391.470 3.783 0 40 GHAB COc1cccc(C(=O)NCCNc2nc(C)nc3sc4c(c23)CCCC4)c1 4848568 AVTJWFJVNRBLPY-UHFFFAOYSA-N 396.516 3.729 0 40 GHAB COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(OC)c(OC)c3)no2)c1 4881114 DVPISZUGBRIOCA-UHFFFAOYSA-N 384.388 3.628 0 40 GHAB CC[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCCc1ccccc1 4902378 QAJAFVBMBZZAFL-NSHDSACASA-N 387.288 3.744 0 40 GHAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccccc3Cl)n2)cc1OC 4998149 VDFRCZHNTGLUCW-LLVKDONJSA-N 387.823 3.898 0 40 GHAB Cc1ccccc1-c1nnn(CC(=O)Nc2ccc(SC(F)F)cc2)n1 5326881 LXVOCBAYBYSFED-UHFFFAOYSA-N 375.404 3.602 0 40 GHAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1 5329795 TWQFMBJZHGGEHA-UHFFFAOYSA-N 388.489 3.630 0 40 GHAB O=S(=O)(NCCc1csc(-c2cccs2)n1)c1ccc(F)cc1F 5451015 MFDDVWORQRFWTG-UHFFFAOYSA-N 386.470 3.671 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cccc(N(C)C)c1 6329133 INDQRTJZZBEDHO-UHFFFAOYSA-N 376.840 3.519 0 40 GHAB O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)Nc1ccccc1 6839660 DBVHPHHSVJTKRE-UHFFFAOYSA-N 398.422 3.730 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2ccco2)o1 6932699 FCPSDCAAGOWOLX-UHFFFAOYSA-N 395.444 3.863 0 40 GHAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7734891 ROJMUBHJFIHLJI-OAHLLOKOSA-N 389.484 3.897 0 40 GHAB CSCc1c(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 7990344 WKCSJVAWORFUGE-UHFFFAOYSA-N 399.424 3.820 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)Cc1cccc(C(F)(F)F)c1 8128084 CCNZECSZLDFRNJ-UHFFFAOYSA-N 378.394 3.962 0 40 GHAB CCOc1cc(CNC[C@H](C)O)cc(Br)c1OCc1ccccc1 8254051 RULXOYSQQQFUTO-AWEZNQCLSA-N 394.309 3.897 0 40 GHAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O 8311929 DZWORBYEMYEBBE-HSZRJFAPSA-N 394.471 3.988 0 40 GHAB O=C(O)C[C@H]1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 8391837 PIDZXRXAOSMZRQ-GFCCVEGCSA-N 390.877 3.861 0 40 GHAB Cc1c(Cl)c(CSc2nnc(SCC(N)=O)s2)nc2ccccc12 8402063 SGUGEFYYGKZMFK-UHFFFAOYSA-N 396.950 3.918 0 40 GHAB COc1cc(OC)cc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)c1 8578875 QJAQKHGGKNHOGD-UHFFFAOYSA-N 394.471 3.905 0 40 GHAB Cc1ccc([C@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 8716654 PFSXTZZORGDTAA-OPAMFIHVSA-N 393.512 3.960 0 40 GHAB CCCOc1ccc(-c2csc(NC(=O)[C@@H](NC(C)=O)C(C)C)n2)cc1 8778117 VCDFYFGFDGPEJB-KRWDZBQOSA-N 375.494 3.698 0 40 GHAB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(CC(=O)O)cc1 8812267 PDXJURHBEMROMT-ZMOGYAJESA-N 393.418 3.624 0 40 GHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)NCC1(c2ccccc2)CCC1 10367962 NQASIWIKGVLSQD-UHFFFAOYSA-N 377.488 3.956 0 40 GHAB Cc1ccc2c(COC(=O)c3cc(=O)[nH]c4ccccc34)cc(=O)oc2c1C 11460151 HJCIUNYWAOXKTN-UHFFFAOYSA-N 375.380 3.608 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)[C@@H]3CCCO3)cc2n1 12230107 SOTVGLPZFKTXPT-GJZGRUSLSA-N 396.413 3.543 0 40 GHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(C)ccc4C)ccn3n2)cc1 12414416 INXXJSKXRHJJNF-UHFFFAOYSA-N 386.455 3.727 0 40 GHAB Cc1nc(SCC(=O)N(C)[C@@H](C)c2ccccc2)n(C[C@H]2CCCO2)c1C 12556700 BYEKJLVUXPQYPL-PKOBYXMFSA-N 387.549 3.991 0 40 GHAB CCOC(=O)[C@@H](Cc1cccc(C)c1)Sc1nc2c3ccccc3ncn2n1 12599852 LECSOCGNSBGKJD-GOSISDBHSA-N 392.484 3.852 0 40 GHAB CC(C)(C)c1ccc(OCCCC(=O)NCCNC(=O)c2ccccc2)cc1 12821640 CPXZLMKNFCVVRA-UHFFFAOYSA-N 382.504 3.689 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(F)cc1Cl 13006962 DWMUZBWIXGIODB-UHFFFAOYSA-N 387.860 3.707 0 40 GHAB CCS(=O)(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 14085083 AAXLPNHUOUEGOI-UHFFFAOYSA-N 381.881 3.930 0 40 GHAB COc1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)cc1OCc1ccccc1 15082052 HPXNZXAYONGMSH-AWEZNQCLSA-N 381.457 3.787 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc3ccccc23)c1 16084975 HLJBZACYKZPPNT-UHFFFAOYSA-N 382.485 3.716 0 40 GHAB Fc1ccccc1-c1nc(N2CCCC2)ncc1-c1nnnn1-c1ccccc1 16523936 JIJVDXIAAZYLFO-UHFFFAOYSA-N 387.422 3.526 0 40 GHAB COc1ccc(CC(=O)N2CCC[C@H]2c2nc(C)ncc2-c2cc(C)no2)cc1 19122375 TVJGRPQVMWXGLZ-IBGZPJMESA-N 392.459 3.663 0 40 GHAB Cc1ccc([C@@H](C)C(=O)N2CCC(n3nc4c(cc3=O)CCCCC4)CC2)cc1 19135869 SFMWJETZXURFHF-GOSISDBHSA-N 393.531 3.788 0 40 GHAB CCCn1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)c1C 19525948 IWJCXRLLOSFUDP-MRXNPFEDSA-N 397.548 3.793 0 40 GHAB COc1cc(CN2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)cc(OC)c1 19712594 QYVSCPYZKPLCKR-ZDXQCDESSA-N 394.515 3.731 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1 20112049 WAFLGKKSKQMDCJ-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB O=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2c1N1CCOCC1 20381057 WONUSFJKGFYVFK-UHFFFAOYSA-N 388.876 3.558 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NCc1ccco1 20568064 OHFYTDTXSKZPQJ-CSKARUKUSA-N 390.395 3.590 0 40 GHAB Cc1ccc(OCCCn2c(CN3CCOCC3)nc3ccccc32)cc1C 21175814 MADRJDGTTMVQRY-UHFFFAOYSA-N 379.504 3.954 0 40 GHAB COc1ccc(OC)c(C(=O)COC(=O)c2csc(-c3ccsc3)n2)c1 21998693 JAJCALNIAYVHAM-UHFFFAOYSA-N 389.454 3.929 0 40 GHAB CC[C@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 22618791 CNBZSQIIBJRBTJ-AWEZNQCLSA-N 394.475 3.979 0 40 GHAB Cc1nn(CN2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c(=S)s1 22934841 DBKZUIFTQCJGJG-LBPRGKRZSA-N 391.591 3.929 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)Cc1nc(-c2cccc(C)c2)no1 23126427 GQZSJTWWQOUYPY-UHFFFAOYSA-N 378.837 3.681 0 40 GHAB CN(c1ccc(-c2csc(NC(=O)C[C@H]3C=CCC3)n2)cc1)S(C)(=O)=O 25046185 IKXYSZBTEHKIIE-ZDUSSCGKSA-N 391.518 3.501 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 26527675 IHDAAGPGVJQLSU-UHFFFAOYSA-N 393.770 3.946 0 40 GHAB COc1ccc(C(=O)CN(C2=NCCS2)c2ccc(OC)c(OC)c2)cc1 28527899 RBAHZOAPAAWWNX-UHFFFAOYSA-N 386.473 3.505 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)OCc3c(C)noc3C)CCCC2)c1 29553309 UTRHFVXQUCDUQA-UHFFFAOYSA-N 391.489 3.738 0 40 GHAB CN(C)C(=O)CSc1ccccc1C(=O)NCCCSc1ccccc1 31550394 UGWWAYICDIJLAK-UHFFFAOYSA-N 388.558 3.779 0 40 GHAB O=C(NCc1ccccc1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 32754278 NXSQFIXMIOJMCM-UHFFFAOYSA-N 392.286 3.661 0 40 GHAB COCCn1c(SCC(=O)N[C@H](C)c2cc3ccccc3o2)nc(C)c1C 32894054 UTVVABNOHUKFNA-CQSZACIVSA-N 387.505 3.862 0 40 GHAB Cc1noc(C)c1CN1CCN(c2ncnc3sc4c(c23)CC[C@@H](C)C4)CC1 32911777 YTMVFYRJHIRLSW-CYBMUJFWSA-N 397.548 3.743 0 40 GHAB CCN(C(=O)[C@@H](C)S(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 32929777 HGYOYXODQAORQM-CYBMUJFWSA-N 383.872 3.836 0 40 GHAB CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CN3CCC(O)CC3)C=C2C)o1 35442700 JABYYKVSVWMTFX-BJLQDIEVSA-N 375.557 3.876 0 40 GHAB biogenic,in-vitro COc1ccccc1CN1CN(c2ccc(F)cc2)c2nc(C)c(C)c(=O)n2C1 35572513 OKOAOOHCXZRXSL-UHFFFAOYSA-N 394.450 3.577 0 40 GHAB C[C@H](C(=O)NCC1CCCCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 35714476 GFLBUNRRHGMIAN-SNVBAGLBSA-N 383.275 3.674 0 40 GHAB COC(=O)c1c(/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)cccc1OC 35973535 HKOMBVGGNRBPEY-CSKARUKUSA-N 384.384 3.503 0 40 GHAB Cc1nc2ccccc2n1CC1CCN(C(=O)COc2ccccc2F)CC1 38534962 FAJVWXAVNGESFJ-UHFFFAOYSA-N 381.451 3.801 0 40 GHAB COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c1 40309229 LOQFCEXICLTIFK-KRWDZBQOSA-N 396.468 3.553 0 40 GHAB biogenic CC(C)Cn1c(SCc2ccn(C)c(=O)c2)nc2ccc(Cl)cc2c1=O 42089816 ZRNXQBWVGXRCAS-UHFFFAOYSA-N 389.908 3.697 0 40 GHAB CSc1cccc(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)c1 45942832 ORLLRJLUBVNRJB-UHFFFAOYSA-N 381.482 3.972 0 40 GHAB O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1ccccc1-n1cccn1 48309561 KKLXGVBDBHJPEZ-UHFFFAOYSA-N 390.491 3.969 0 40 GHAB Cc1cc(C)cc(C2=N/C(=C/C=C/c3cn(Cc4ccccc4)nn3)C(=O)O2)c1 48366725 IDVCCFOVWAZECK-DVMKSOMISA-N 384.439 3.844 0 40 GHAB CCCNC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 48368328 WGINKTXAQDIORW-UHFFFAOYSA-N 381.505 3.564 0 40 GHAB Cc1ccc(C)c(NC(=O)Cn2c(Nc3ccc(F)c(C)c3)nc(C)cc2=O)c1 57507744 BFZJTPNJJHHGEK-UHFFFAOYSA-N 394.450 3.998 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2c(C)ccc3nsnc23)cc1Cl 59438483 PLJPJLFMDUSWCA-UHFFFAOYSA-N 392.893 3.789 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(OC)ccc3OC)o2)cc1 63889398 QRDHPRGLVHEMQP-UHFFFAOYSA-N 382.416 3.939 0 40 GHAB Cc1ccc(C(=O)CN2N=C(c3ccccc3)c3ccccc3S2(=O)=O)cc1 67206741 AFWZZGHZJZICJI-UHFFFAOYSA-N 390.464 3.635 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N2CCCC2)cc1 72216020 QMZBINYQVUYGFC-HXUWFJFHSA-N 385.533 3.906 0 40 GHAB C[C@H](NC(=O)CCc1nncn1-c1ccccc1)c1ccccc1Br 72302702 NHTNSWAVSRINQO-AWEZNQCLSA-N 399.292 3.840 0 40 GHAB O=C(C1CCCCC1)N1CCN(c2ccccc2)C[C@@H](Cc2cnccn2)C1 72353539 ZJOKRASNNLJKMS-LJQANCHMSA-N 378.520 3.564 0 40 GHAB Cn1cc(C(=O)N2CCC[C@H](c3nccnc3Oc3ccc(Cl)cc3)C2)cn1 72362944 HFBBMQWVHIJBPM-AWEZNQCLSA-N 397.866 3.676 0 40 GHAB COc1ccc(CN2CCC(c3cc(O)nc(-c4ccccn4)n3)CC2)cc1 72392822 JJRGDWMAJNCYET-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@](O)(c1cccs1)C1CC1 77099490 CHQZTIWNBBGLFV-LJQANCHMSA-N 379.909 3.973 0 40 GHAB COc1cccc([C@H](NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C(C)(C)C)c1 79013747 DCALRIBZVFQTMF-JXFKEZNVSA-N 384.476 3.540 0 40 GHAB CC(=O)c1cccc(NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1 79059743 QYUWSCVQYQBJRH-HXUWFJFHSA-N 375.469 3.704 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)NC[C@H]1CC(=O)N(CCc2ccccc2)C1 79101032 WJVKFKJLEAEANI-QGZVFWFLSA-N 385.895 3.861 0 40 GHAB Cc1c(C(=O)N2CCC[C@H]2c2ncc[nH]2)cnn1-c1cccc(C(F)(F)F)c1 95458552 URFAQEVVFOXSCV-INIZCTEOSA-N 389.381 3.900 0 40 GHAB COc1ccc(Cc2n[nH]c(NC(=O)c3ccc4nc(C)sc4c3)n2)cc1 95475750 HYPOBTAJNDWZAL-UHFFFAOYSA-N 379.445 3.575 0 40 GHAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@H]3c1cc(Cl)c2c(c1)OCO2 96221035 QDURLQXVQRVKFX-LBPRGKRZSA-N 384.771 3.925 0 40 GHAB biogenic CCn1c(S)nc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2c1=O 102753703 GXEJWTOSRIOUSL-UHFFFAOYSA-N 393.390 3.976 0 40 GHAB Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 105112589 KJYZAYSTJUMEPE-HSZRJFAPSA-N 398.595 3.619 0 40 GHAB FC(F)(F)c1ccc(OCCN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 107298832 MKHRIUYNMFRTTH-AWEZNQCLSA-N 380.414 3.502 0 40 GHAB Cc1c(Cl)cccc1N(CCCC(=O)Nc1ccccc1)S(C)(=O)=O 113965937 GOGNDOAXJNBBBY-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB COC(=O)c1ccc(C(=O)NCc2ccc([C@H](O)c3ccccc3)s2)cc1 211090728 JFQPIVZYDKYSMJ-LJQANCHMSA-N 381.453 3.546 0 40 GHAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1 219300274 FDSRNVYVRYWBCO-HNNXBMFYSA-N 395.459 3.952 0 40 GHAB CCc1ccc(O[C@@H](CC)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 222874226 JXHRYOZZPYFXMU-NRFANRHFSA-N 382.504 3.764 0 40 GHAB COc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1cc(C)c(OC)cc1C 223992039 LWOZFIAFHUGZFF-SFHVURJKSA-N 375.490 3.677 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224108540 YVARUOAUDIJQBU-IBGZPJMESA-N 382.504 3.563 0 40 GHAB CN(C(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1 224254477 IHGYJCOYGSFMMC-UHFFFAOYSA-N 380.469 3.788 0 40 GHAB CC[C@@H](C(=O)NCC1CCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224314529 SWNCLGKJPGJNPS-IBGZPJMESA-N 380.554 3.545 0 40 GHAB C[C@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 245228266 MHJOGDJMUSFXMV-DKMUHFRHSA-N 381.419 3.774 0 40 GHAB O=C(O)c1cnc(NCCOc2cccc(F)c2)nc1CCc1ccccc1 257217702 DAFPUWAZPUXVTG-UHFFFAOYSA-N 381.407 3.590 0 40 GHAB O=C(c1ccc(C(F)(F)F)nc1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390832267 YHAXJXQLGUFPHA-KBPBESRZSA-N 377.366 3.710 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 408613069 ZFSRLRWAROFJAN-ZDUSSCGKSA-N 380.897 3.978 0 40 GHAB Cc1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)O)C2=O)cc1Cl 409013905 OJYKUFYUDJTAQY-ZSOIEALJSA-N 376.821 3.560 0 40 GHAB COc1cccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1O[C@H](C)C(=O)O 409250838 OEIWBAQKMZZOKO-COOUDCDJSA-N 399.424 3.788 0 40 GHAB COc1cccc(C(=O)NC[C@H](O)c2ccc(-c3ccsc3)cc2)c1OC 575609539 DEBCFYWYOLNBOM-SFHVURJKSA-N 383.469 3.896 0 40 GHAB Cc1cccc(CN2CC3(CCC2=O)CCN(C(=O)c2cccc(F)c2)CC3)n1 585102035 ZSMHNJCWRCWRJD-UHFFFAOYSA-N 395.478 3.574 0 40 GHAB CC(C)C[C@@H](C(=O)O)N1CCC(C(=O)Nc2ccccc2Br)CC1 629484570 VEAJZTRCGBPSAW-INIZCTEOSA-N 397.313 3.599 0 40 GHAB O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC(F)(F)CC1 684517399 HUSMAUYTTVQRQR-LBPRGKRZSA-N 377.357 3.575 0 40 GHAB O=C(CCc1ccccc1Br)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565519706 MLAPMYWXUGSIGW-HOTGVXAUSA-N 388.309 3.973 0 40 GHAB Cc1ccc(NC(=O)c2nc(O)c3ccccc3c2C)cc1C(=O)NC(C)C 1628746038 MQXFPPWLWLXTRR-UHFFFAOYSA-N 377.444 3.948 0 40 GHAB Cc1noc(C)c1CN1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888890059 DNJZOCLYPRDPBW-UHFFFAOYSA-N 381.480 3.503 0 40 GHAB CCOC(=O)c1c(NC(=O)CSc2nccn2C)sc2c1CC[C@@H](C)C2 709266 PSBXBJHISSBMTE-LLVKDONJSA-N 393.534 3.514 0 40 GHAB CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1ccccc1 904913 ULHRTJLHYCRIOU-UHFFFAOYSA-N 398.488 3.616 0 40 GHAB O=c1[nH]c(=S)ccn1[C@@H](NC(=S)c1ccccc1)C(Cl)(Cl)Cl 941246 RCMVOZXRJXSTQG-LLVKDONJSA-N 394.736 3.740 0 40 GHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C)c(C)c2)sc(C)c1C 954978 MUMOXVJDEPCIOV-UHFFFAOYSA-N 389.473 3.954 0 40 GHAB COC(=O)CSc1nnc2c3c4c(sc3nc(C(C)C)n12)C[C@@H](C)CC4 1376522 ADRZWNQIPXXLNU-JTQLQIEISA-N 390.534 3.852 0 40 GHAB O=C1C=C(N2CCC(Nc3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 1443779 HSBXMOXCQHBZTD-UHFFFAOYSA-N 399.853 3.813 0 40 GHAB O=C(/C=C(/Cl)c1ccc2c(c1)OCO2)OC/C=C/c1ccc2c(c1)OCO2 1702994 NIZSOWOMFVJWID-XGXIODSVSA-N 386.787 3.980 0 40 GHAB Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)CNCc2ccccc2)[C@H]3CCC1 2295809 WDIFWXZIXFTCSR-YKSBVNFPSA-N 389.543 3.793 0 40 GHAB COc1cc(-c2nnc3sc(-c4ccccc4F)nn23)cc(OC)c1OC 2328736 SMKZQAFQHQBZKO-UHFFFAOYSA-N 386.408 3.685 0 40 GHAB CC(C)N1C(=O)[C@](O)(CC(=O)c2ccc(Br)cc2)c2ccccc21 2488737 LRGQCEPWQOKMBR-IBGZPJMESA-N 388.261 3.665 0 40 GHAB O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(O)c1)c1cccs1 3169201 IRLKOZCJVOYKRA-UHFFFAOYSA-N 398.469 3.941 0 40 GHAB CCC(=O)Nc1ccc(C(=O)CSc2nncn2-c2ccc(OC)cc2)cc1 3443612 JWXUCNMDGKVEMB-UHFFFAOYSA-N 396.472 3.599 0 40 GHAB Cc1nc(SCC(=O)Nc2ccccc2F)[nH]c(=O)c1Cc1ccccc1 4626376 LSAPXJJGNGOTOK-UHFFFAOYSA-N 383.448 3.539 0 40 GHAB O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NC1CCCCC1 4681536 YMPOWXQBYUJYPU-UHFFFAOYSA-N 392.565 3.679 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2)CC1 5006152 WDYSWGANSBXCSW-UHFFFAOYSA-N 388.309 3.843 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1OC 5099286 GJVCQNQBYYNVQL-UHFFFAOYSA-N 380.444 3.645 0 40 GHAB O=S(=O)(Nc1ccccc1I)c1ccccc1Cl 5126394 OBFVVELNEMHSAU-UHFFFAOYSA-N 393.633 3.745 0 40 GHAB Cn1c(=O)c(C(=O)NCCC(c2ccccc2)c2ccccc2)cc2cccnc21 5303570 DSIGJFAMHIFIDU-UHFFFAOYSA-N 397.478 3.886 0 40 GHAB CCc1cccc(C)c1NC(=O)CSc1nnnn1-c1c(C)cccc1C 5391534 GYFOLAZDRUUDDK-UHFFFAOYSA-N 381.505 3.881 0 40 GHAB O=C(N[C@@H]1C(=O)NN(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 5447372 SAEOQJCJCQYVBK-VQTJNVASSA-N 391.858 3.731 0 40 GHAB CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCc1cccc(F)c1 5561572 ZBXVUZCBILUHEJ-YLJYHZDGSA-N 384.476 3.533 0 40 GHAB Cc1nc2ccc(NC(=S)N3CCN(c4ccccc4)CC3)cc2nc1C 5986564 CATACDLCEZVMJA-UHFFFAOYSA-N 377.517 3.766 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 6271279 LRXLQYMNFQMFJE-UHFFFAOYSA-N 398.406 3.742 0 40 GHAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 6271398 JJNZAZACCAVQIG-NTEUORMPSA-N 384.501 3.822 0 40 GHAB Brc1ccc([C@H]2C[C@@H](c3ccc4c(c3)OCO4)n3ncnc3N2)cc1 6590499 SZTXTKLHJQQNGD-CABCVRRESA-N 399.248 3.916 0 40 GHAB CC(C)CC(=O)NC(=S)N(C)c1ccccc1C(=O)NCCc1ccccc1 6858883 FTYGQQUMACHPAY-UHFFFAOYSA-N 397.544 3.543 0 40 GHAB O=C(O)c1ccc(COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 6864002 SDAWGGINPDXGPS-UHFFFAOYSA-N 375.380 3.994 0 40 GHAB C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)N1CCC(Cc2ccccc2)CC1 7172592 GVDYTGCALPTFTF-OAHLLOKOSA-N 384.549 3.654 0 40 GHAB O=S1(=O)N=C(N2CCC(c3nc4ccccc4s3)CC2)c2ccccc21 7737840 LPTYIUDWRQPLIK-UHFFFAOYSA-N 383.498 3.625 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)SCc2ccccc2)c1 8224112 CTJYXWUFMAJYQT-CYBMUJFWSA-N 387.457 3.520 0 40 GHAB CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc3c(c1)CCC3)c1ccccc1O2 8428256 VIGLLAPXWWIJTD-OAQYLSRUSA-N 376.500 3.893 0 40 GHAB COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](c1ccccc1)C3 8991826 SRQGEQMUBSCIRZ-KRWDZBQOSA-N 384.439 3.850 0 40 GHAB COc1cc(C)c(Br)cc1S(=O)(=O)n1c(C)nc2ccccc21 9061854 RZHPIBOABGVLSQ-UHFFFAOYSA-N 395.278 3.661 0 40 GHAB COc1ccc(NC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)c(OC)c1 9215868 SFRRANBXYZVINK-UHFFFAOYSA-N 397.427 3.699 0 40 GHAB CCn1nnc2cc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)ccc21 9514717 KEBSEXBQJYNAET-SFHVURJKSA-N 392.459 3.590 0 40 GHAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)C(C(=O)OC)=C(C)N2 9569586 XRGCUGFUMVDGCL-OAHLLOKOSA-N 385.489 3.585 0 40 GHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 9906022 PAMZSDWURYAIMB-HOTGVXAUSA-N 383.879 3.781 0 40 GHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NC1CCCCCC1)S(C)(=O)=O 10324100 CUMZMLBMRJAWQQ-CQSZACIVSA-N 386.945 3.642 0 40 GHAB Cc1ccc(N(CCCC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1C 10338319 ZWEYNSVIKFHPJL-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)CSc2ccc3c(c2)OCCO3)c1 11725530 KTVJAXHGWBPAKM-UHFFFAOYSA-N 389.473 3.986 0 40 GHAB COc1ccc2c(c1)O[C@]1(CCCN(Cc3ccccc3Cl)C1)CNC2=O 12086785 PIKBYWQMCPEIBE-OAQYLSRUSA-N 386.879 3.506 0 40 GHAB O=C(OCC(=O)N1CCc2sccc2C1)c1occc1COc1ccccc1 12106663 ZSUYKOLEWQQWBM-UHFFFAOYSA-N 397.452 3.662 0 40 GHAB Cc1ccccc1COc1cn(CC(=O)Nc2ccccc2F)c(C)cc1=O 12230707 FXSSOSZJGTVOAY-UHFFFAOYSA-N 380.419 3.822 0 40 GHAB C[C@H](NC(=O)CCCc1nc(-c2ccccc2)no1)c1nc2ccccc2[nH]1 12538532 FZOAZGLESDZQLC-AWEZNQCLSA-N 375.432 3.813 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN[C@H](C)c1ccc2c(c1)CCCC2 12862440 KRDRMWBSSJDZSQ-DLBZAZTESA-N 391.515 3.980 0 40 GHAB COc1cc(NC(=O)CSCCc2ccccc2)ccc1N1CCCC1=O 12878547 GHQAYUADERCAMA-UHFFFAOYSA-N 384.501 3.736 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1Cl 12907491 RZNGJNBZKPLXFY-UHFFFAOYSA-N 379.869 3.509 0 40 GHAB CC(C)n1nccc1NC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 12979256 SEMPOZUZVIQDFG-UHFFFAOYSA-N 379.416 3.632 0 40 GHAB c1ccc(OCCOCCN2CCN(c3nsc4ccccc34)CC2)cc1 13688256 IXHQDWLXXSPREK-UHFFFAOYSA-N 383.517 3.514 0 40 GHAB C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2c(c1)OCCO2 14118764 TZBGCRZKYWVTQS-BEFAXECRSA-N 383.444 3.507 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)Cc1nc(-c2ccccc2C)no1 15296099 TXNFQFAEJLFBDO-UHFFFAOYSA-N 386.402 3.784 0 40 GHAB CSc1ccc(CN(C)C(=O)CNC(=O)c2ccc(OC(C)C)cc2)cc1 15472742 GIAQDBIMBPIEOX-UHFFFAOYSA-N 386.517 3.584 0 40 GHAB COC(=O)c1cccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)c1 16204969 ONCZJTSFCKXORK-UHFFFAOYSA-N 396.468 3.998 0 40 GHAB COc1ccc([C@H](NC(=O)c2cc(F)c(F)cc2Cl)c2nccn2C)cc1 16472903 ODTPZOUHMNYFCZ-KRWDZBQOSA-N 391.805 3.880 0 40 GHAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 17480385 VALMFUIGTQTNOU-KRWDZBQOSA-N 384.304 3.951 0 40 GHAB Cc1ccc2nc(SCc3nc(O)c4cnn(-c5ccccc5)c4n3)[nH]c2c1 17885606 MAPHDTVMNKDWJS-UHFFFAOYSA-N 388.456 3.998 0 40 GHAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 18147326 MCIYOZCSZTZVNE-AWEZNQCLSA-N 378.266 3.720 0 40 GHAB COc1ccccc1[C@@H](NC(=O)c1c2c(nn1C)CCCC2)c1ccccc1 19288662 PAMQJEDAWZFEQW-NRFANRHFSA-N 375.472 3.827 0 40 GHAB C[C@@H]1CCCCN1CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1 19496351 IGDFTOLEIPXART-JVIIGWRGSA-N 399.579 3.525 0 40 GHAB COc1ccc([C@H](O)CN2CCc3c([nH]c4ccccc34)[C@@H]2C)cc1NC(C)=O 19498294 ALVSYFSJMSIEOA-LHSJRXKWSA-N 393.487 3.788 0 40 GHAB Cc1cc(C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cs1 19571678 QZSYICPYNCKRGZ-UHFFFAOYSA-N 395.410 3.533 0 40 GHAB c1cc(CN2CCO[C@H](c3ccc(-c4cncnc4)cn3)C2)c2cccnc2c1 19693626 BHZQRZMHGHIPBV-QHCPKHFHSA-N 383.455 3.660 0 40 GHAB COc1cc2c(cc1-c1cncn1C[C@H](C)N1CCC(C)CC1)OCCCO2 19720015 DNPPTXZXOYVYJP-KRWDZBQOSA-N 385.508 3.840 0 40 GHAB CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(OC)cc1 20046991 BYUNIWBZQMEWBM-KRWDZBQOSA-N 396.896 3.601 0 40 GHAB Cc1cccc(OC[C@@H](O)Cn2c(=N)n(Cc3ccccc3)c3ccccc32)c1 20266367 IGVSAJYPJYGRQM-FQEVSTJZSA-N 387.483 3.719 0 40 GHAB CC(C)c1ccc(CCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 20459568 DUTROQROOXSQKU-UHFFFAOYSA-N 394.924 3.807 0 40 GHAB CCOc1ccc(-c2noc(CCC(=O)Nc3nccs3)n2)cc1OCC 21524832 YXQHUKHJFHKFDO-UHFFFAOYSA-N 388.449 3.562 0 40 GHAB O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 23018619 KWCNODDJRZFNNT-AWEZNQCLSA-N 396.434 3.936 0 40 GHAB COC(=O)c1ccc(NCC(=O)Nc2ccc(C)cc2Br)c(C)c1 24348974 IBRQRJZYVSHZRD-UHFFFAOYSA-N 391.265 3.903 0 40 GHAB O=C1CCCN1Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 25377381 QWOMGTBDKLUSSD-UHFFFAOYSA-N 376.500 3.904 0 40 GHAB O[C@@H](CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 28135878 FPXGSQQPSVOCJY-KRWDZBQOSA-N 399.844 4.000 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)o2)n1 28238616 WGHNSCBCTOUGFW-UHFFFAOYSA-N 393.422 3.777 0 40 GHAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2NS(C)(=O)=O)cc1 30860429 SGBAGVJXWLVYFB-IBGZPJMESA-N 390.505 3.584 0 40 GHAB COc1ccc(-c2csc(CCNC(=O)c3c(OC)cccc3OC)n2)cc1 31848804 PVEOQTXDVXIPKU-UHFFFAOYSA-N 398.484 3.808 0 40 GHAB Cc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1C 32641064 XZSWAMPWEMMBAM-RBUKOAKNSA-N 386.542 3.578 0 40 GHAB CC[C@H](C)c1ccc(O)c(NC(=O)COc2ccc(C)cc2-n2cnnc2)c1 32646710 VVUZHAMTJORITO-HNNXBMFYSA-N 380.448 3.812 0 40 GHAB CCc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(-n2cnnc2)c1 32646912 ZCYMWXUHPYUMPG-UHFFFAOYSA-N 390.365 3.866 0 40 GHAB Cc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 32754416 WQLFBDBVCFWRJR-OAQYLSRUSA-N 377.488 3.663 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)NCCCOc2ccccc2)C1 32862347 PBKUJAAIGGFYPF-GOSISDBHSA-N 381.476 3.516 0 40 GHAB COc1ccc(NC(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)cc1 32912708 VXPHAHMZJUWHCB-UHFFFAOYSA-N 382.247 3.554 0 40 GHAB Cc1nc2nc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)nn2c(C)c1C 32936509 NRDHRAOZPPADBD-GOSISDBHSA-N 395.532 3.895 0 40 GHAB CC[C@H](C)c1ccc([C@H](NC(=O)Cn2cccnc2=O)c2cccs2)cc1 32948236 IIBWBHNTQDHCSA-YWZLYKJASA-N 381.501 3.724 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)C2CCCC2)c1 33051918 MACJNYFAHBLNMO-PKNBQFBNSA-N 399.468 3.784 0 40 GHAB O=C(NC1CCCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 33131356 KZKRRHSRZPKLND-UHFFFAOYSA-N 398.956 3.967 0 40 GHAB COc1ccc(NC(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc1OC 38677361 WOHWNJZVAFSGES-MRXNPFEDSA-N 377.872 3.782 0 40 GHAB O=C(NCc1cccc(NC(=O)c2ccco2)c1)c1ccc(C(F)(F)F)nc1 40074496 MEPKTTHEPYMGRR-UHFFFAOYSA-N 389.333 3.876 0 40 GHAB O=C(CCN1CCSC1=O)Nc1ccccc1N1CCc2sccc2C1 40134161 JZLYNTUGAGQMPH-UHFFFAOYSA-N 387.530 3.808 0 40 GHAB CCCc1nnc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)s1 40141368 AGPFTDQDUCZPKN-UHFFFAOYSA-N 389.431 3.696 0 40 GHAB O=C(CCn1sc2ccccc2c1=O)Nc1nnc(Cc2ccccc2)s1 40267381 WVBCNZVEEKLWKJ-UHFFFAOYSA-N 396.497 3.534 0 40 GHAB O=C(c1cccc(I)c1)c1ccc(C2OCCO2)s1 43210408 KLJSRBGEQRLQCB-UHFFFAOYSA-N 386.210 3.629 0 40 GHAB O=C(O)c1ccc(NS(=O)(=O)c2sccc2Br)cc1Cl 49060864 OGXXOTXFGNYYPZ-UHFFFAOYSA-N 396.671 3.663 0 40 GHAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 53517397 BHDYTUKIZMSBEU-HNNXBMFYSA-N 388.471 3.719 0 40 GHAB O=C(/C=C/c1ccc(Br)o1)Nc1ccccc1CN1CCOCC1 55816046 HLHUWADOPKMVNK-SOFGYWHQSA-N 391.265 3.526 0 40 GHAB CC[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 57670557 LRLZJSRNMHGYRR-HXUWFJFHSA-N 396.926 3.648 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(c2nccs2)CC1 58512217 UEUJOGBNDLYQLE-KRWDZBQOSA-N 392.528 3.959 0 40 GHAB COc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)cc1 66089777 PBNMAIKDBGLIHP-MRXNPFEDSA-N 384.432 3.795 0 40 GHAB CCOc1ccc(-c2cc3c(SCC(=O)N[C@H](C)CC)nccn3n2)cc1 67290312 WTVIWIXNNXVHSP-CQSZACIVSA-N 384.505 3.802 0 40 GHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc(C(C)C)cc1)CC(O)=N2 71279838 QTXPSLXQQHJHOV-IAGOWNOFSA-N 387.505 3.798 0 40 GHAB CSc1nc(-c2ccco2)nc(C)c1C(=O)NCCOc1ccccc1C 72272719 VFPYVTQEHOYIPW-UHFFFAOYSA-N 383.473 3.884 0 40 GHAB C[S@](=O)Cc1c(C(=O)NCCSCc2ccccc2)oc2ccccc12 72295260 FMZOYEDZHWHKMH-AREMUKBSSA-N 387.526 3.975 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2c(C)cccc2Cl)cc1OC 72330820 GZFDPHNRNSVVBH-CSKARUKUSA-N 389.835 3.861 0 40 GHAB C[C@@H]1OCc2cc(=O)n([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)nc21 72342390 DZQQZDCDZUXDCK-GJZGRUSLSA-N 375.428 3.701 0 40 GHAB Cc1nc(SC[C@@H]2CN=C(N3CCOCC3)S2)n(C2CCCCC2)c1C 84051853 JUQQUTXBXCAATR-KRWDZBQOSA-N 394.610 3.901 0 40 GHAB C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 84651607 HVYFKONEWJUGJQ-TUKIKUTGSA-N 392.443 3.571 0 40 GHAB CSc1nccn1-c1cccc(C(=O)N[C@H](C)[C@H]2COc3ccccc32)c1 89894443 SDYHSIRFLFVAMG-RDTXWAMCSA-N 379.485 3.889 0 40 GHAB Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3cnc4ccc(C)cn34)C2)cc1 92708923 HJOMVRDYZNYWOU-LJQANCHMSA-N 391.519 3.985 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2cc(C)nc3c(F)cccc23)c1 95427509 TVNSWFVOPCGCND-CQSZACIVSA-N 398.434 3.956 0 40 GHAB Cc1ccccc1C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 95998734 AQBHNCBTSOOFIC-QGZVFWFLSA-N 380.492 3.867 0 40 GHAB CNC(=O)C[C@H]1CC2(CCN(C(=O)c3cccc(F)c3)CC2)Oc2ccccc21 96243008 YPOFYJIYJCUELP-KRWDZBQOSA-N 396.462 3.503 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3C)CC2)on1 100743961 VKXXBBFFXCIHKQ-QMCVQRASSA-N 397.523 3.552 0 40 GHAB O=C1C[C@@H](Nc2ccccc2Br)C(=O)N1c1cccc(Cl)c1 101276748 IOBHFHNYUCEDKQ-CQSZACIVSA-N 379.641 3.847 0 40 GHAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1 102952225 NLWUBWYXDSVKGW-GOSISDBHSA-N 379.526 3.512 0 40 GHAB COc1ccc(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1OC 222940564 MBPRNQZKVVDLKU-UHFFFAOYSA-N 399.878 3.676 0 40 GHAB Cc1ccc(Cl)cc1N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O 223678272 ZPDMOUZMRICZNK-UHFFFAOYSA-N 388.961 3.745 0 40 GHAB O=C(Nc1cc(CCC2CCN(C(=O)C3CCC3)CC2)ccn1)c1ccccn1 257291343 QGOOTSRXRHYDCT-UHFFFAOYSA-N 392.503 3.700 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2CN(Cc3cccnc3)C[C@H]21 306133546 MPGUMEQEFRZYBW-IFMALSPDSA-N 394.471 3.643 0 40 GHAB COC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1 408600138 VMJVEJWUGQMPPE-UHFFFAOYSA-N 383.429 3.562 0 40 GHAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc(Cl)c1 409149514 IOASQHLRZRLGPO-UHFFFAOYSA-N 393.679 3.564 0 40 GHAB CCCCOc1ccc(NC(=O)NCc2ccc(-c3cnn(C)c3)nc2)cc1 575615465 DYDQOGNPNYGUPJ-UHFFFAOYSA-N 379.464 3.983 0 40 GHAB CCc1ccc([C@@H]2CN(C(=O)Cc3cc4ccccc4c(O)n3)CCO2)cc1 577261617 DCWIPHUEPBGWKC-NRFANRHFSA-N 376.456 3.645 0 40 GHAB Cc1ccc(C(C)(C)CN(C)C(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)cc1 583795857 AZRPEWURVWMAAP-OALUTQOASA-N 384.524 3.568 0 40 GHAB Cc1cc(C)cc(OCc2noc(CN[C@H]3CCc4ccccc4OC3)n2)c1 585080167 AJWZYHHBYRZOHN-SFHVURJKSA-N 379.460 3.749 0 40 GHAB COc1ccc(C2(c3noc(COCc4cc(C)no4)n3)CCCC2)cc1OC 585084298 CRKQJPWUWBQZHQ-UHFFFAOYSA-N 399.447 3.960 0 40 GHAB O=C(c1cccs1)N1CCC2(CC1)CN(C(=O)N1CCCC1)c1ccccc12 585103396 GEPQMOPKQGVAAK-UHFFFAOYSA-N 395.528 3.958 0 40 GHAB CN1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)C3CCCCC3)CC4)c2C1 585110343 HNQPMISUZAQVCY-UHFFFAOYSA-N 378.520 3.530 0 40 GHAB COc1ccc(Cl)c(N2CCN(Cc3ccc(C(=O)O)cc3F)CC2)c1 652451045 PSVICEYEWMNDQI-UHFFFAOYSA-N 378.831 3.508 0 40 GHAB O=C(NCc1nc2ccccc2n1C1CC1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]21 664662832 AESUXVAYOKTHEG-ZLGUVYLKSA-N 376.435 3.648 0 40 GHAB O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)N1CC[C@@H]2C[C@H]2C1 667075691 BERMDZKIVBGHAH-KOLCDFICSA-N 384.383 3.977 0 40 GHAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)c2ccco2)cc1F 670321736 YUZAILLYPICDNU-AWEZNQCLSA-N 381.450 3.599 0 40 GHAB O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCC[C@H](C[C@@H]2CCOC2)C1 678646948 KQGAJPHUYJBMNJ-MSOLQXFVSA-N 392.499 3.962 0 40 GHAB C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2nccc3ccsc23)C1=O 952994736 JWIGZCOJLKHHLH-CXAGYDPISA-N 397.475 3.917 0 40 GHAB CC(C)c1ncnc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)c1F 1888867091 NGKZQYFFXSWJLB-UHFFFAOYSA-N 392.429 3.671 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2ccccc2O)CC1 12563093 JOWGXNFYZXDJPQ-UHFFFAOYSA-N 379.485 3.787 0 40 GHAB O=C(c1nnn(-c2ccccc2)c1-c1ccccn1)N1CCC[C@@H]1c1cccnc1 77199876 SFOITVQJWWRAQY-HXUWFJFHSA-N 396.454 3.702 0 40 GHAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)C1CCCCC1 2724919 BFZTWSYNBMTADX-VWLOTQADSA-N 377.897 3.807 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1 12556820 IPFVEKJXTZWTPZ-UHFFFAOYSA-N 398.488 3.522 0 40 GHAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1401332 PTFLZBLOQOCFEK-MRXNPFEDSA-N 399.299 3.785 0 40 GHAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CN1CCc2sccc2[C@@H]1c1cccs1 107084339 DGRKTMXSUDOWDZ-HBUWYVDXSA-N 386.542 3.890 0 40 GHAB COc1ccc(CNC(=O)C2(NC(=O)NC3CCCCC3)CCCCC2)cc1 4933604 STOICNIBOYBHKH-UHFFFAOYSA-N 387.524 3.646 0 40 GHAB CC(=O)NC(=S)Nc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 6255884 VOADVMZCSCDDCJ-UHFFFAOYSA-N 399.516 3.969 0 40 GHAB O=C(C1CC1)N1CCC[C@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 57740342 IZMDDQSMMRBNPC-IBGZPJMESA-N 391.519 3.645 0 40 GHAB Cc1c(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)[nH]c2c1C(=O)CCC2 57819938 XRVPVRSXGBSDDT-HXUWFJFHSA-N 382.460 3.740 0 40 GHAB CN(C)CCN(CCCc1ccccc1)Cn1nc(-c2ccco2)n(C)c1=S 58005055 SHWUWHANJKUKJC-UHFFFAOYSA-N 399.564 3.665 0 40 GHAB CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1cc(C)ccc1C 8415010 KOUININOAGLTPI-UHFFFAOYSA-N 382.460 3.766 0 40 GHAB COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)/C=C/c1cccc(OC)c1OC(F)F 95444466 DGMWXQHMYCHLSM-DCRNKBBPSA-N 397.418 3.548 0 40 GHAB CCN(Cc1ccncc1)Cn1nc([C@H]2COc3ccccc3O2)oc1=S 3244601 MKZHUAAGFYSUAB-QGZVFWFLSA-N 384.461 3.593 0 40 GHAB COc1ccc(OC)c(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 2413077 WBVIVCTUPGGVGZ-BWSGXRDBSA-N 378.472 3.731 0 40 GHAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC[C@H](c1ccccc1Cl)N(C)C 29051046 JPRVAQFGHIJYMS-MGPUTAFESA-N 397.906 3.574 0 40 GHAB O=C(Cc1csc(COc2ccc(F)cc2)n1)Nc1nc2ccccc2[nH]1 11558798 JHQXMRHRMLFSPA-UHFFFAOYSA-N 382.420 3.919 0 40 GHAB CC(=O)NCCc1ccc(C(=O)CSc2nc3ccccc3nc2C)s1 29283924 APVIKWHXYRYWHZ-UHFFFAOYSA-N 385.514 3.653 0 40 GHAB CCc1ccc(N(CC(=O)N[C@H](CC)c2ccc(C)cc2)S(C)(=O)=O)cc1 20481022 KWVGOJXWQNEHQC-HXUWFJFHSA-N 388.533 3.591 0 40 GHAB CCCc1ncc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ccc(OC)cc2)cn1 100766806 KYXYISPFKHVJPW-PMACEKPBSA-N 381.520 3.557 0 40 GHAB O=C(CSCc1cccc(Cl)c1)N1CCN(Cc2cccs2)CC1 60677253 MEZAQAULWMCYTD-UHFFFAOYSA-N 380.966 3.979 0 40 GHAB Cc1ccc2cc(COC(=O)CSc3cccc[n+]3[O-])c(Cl)nc2c1C 22415776 FUOPDOMOPARVKB-UHFFFAOYSA-N 388.876 3.974 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1ccccn1 12738184 YXKHIHYTKKWYKZ-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB Cc1ccc(Cl)c(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1Cl 12797028 NBUIZNQJQGDFQD-UHFFFAOYSA-N 396.205 3.896 0 40 GHAB COc1ccc(CN(C)C(=O)COc2ccc(Cl)cc2C(C)=O)cc1F 12794658 DLKMJDFPVYULIV-UHFFFAOYSA-N 379.815 3.728 0 40 GHAB O=C(COc1ccc(F)cc1)NCc1cccc(NC(=O)c2cccc(F)c2)c1 48368254 LPWWRHNZDRITOE-UHFFFAOYSA-N 396.393 3.912 0 40 GHAB Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1C 3553087 AVRNCWQMAGHZPP-UHFFFAOYSA-N 387.911 3.726 0 40 GHAB O=C(O)Cc1csc(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)n1 12979953 NWNOUEAPHZKFSQ-SFHVURJKSA-N 398.509 3.920 0 40 GHAB O=C(/C=C/c1ccco1)N(Cc1ccccc1)Cc1nc2ccsc2c(=O)[nH]1 12938009 AXVIXGPPQUFGBA-CMDGGOBGSA-N 391.452 3.820 0 40 GHAB COc1ccc(OC)c(NC(=O)c2ccc(COc3ccc4c(c3)OCO4)o2)c1 28226999 FRARJHMLNZJFEM-UHFFFAOYSA-N 397.383 3.857 0 40 GHAB CCCC[C@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1 20142172 UBVNPEANJCLKBS-JOCHJYFZSA-N 396.583 3.707 0 40 GHAB O=C(N[C@H]1C[C@H]1c1ccccc1)c1cnn(-c2ccccc2)c1Br 96007111 QJQFDNIRYGZXLQ-RDJZCZTQSA-N 382.261 3.921 0 40 GHAB C[C@H](OC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1)C(N)=O 6007098 ZCSJPWKXKQCSJA-ZDUSSCGKSA-N 382.441 3.562 0 40 GHAB Oc1[nH]c(=S)nc2c1C(c1ccc(Cl)cc1)c1c(nc(=S)[nH]c1O)O2 13799321 PTXJSSLSLXBAEJ-UHFFFAOYSA-N 392.849 3.942 0 40 GHAB Cc1ccc2cc(C(=O)NC[C@H]3CC(=O)N(Cc4ccccc4)C3)c(C)nc2c1 95444068 DKVIAZRTIMVCHE-LJQANCHMSA-N 387.483 3.630 0 40 GHAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)o1 4555129 WRPYUVWVVCMPHC-HSZRJFAPSA-N 375.424 3.904 0 40 GHAB CC1CCN(C(=S)SCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)CC1 4680599 AAWKIMCYUVADNJ-GFCCVEGCSA-N 383.608 3.956 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(F)c1 4735634 FVHWKMRKNXKKBR-IBGZPJMESA-N 381.407 3.654 0 40 GHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1ccc2ccccc2n1 5627325 UFYCZHMGQHAZKY-UHFFFAOYSA-N 383.448 3.563 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 6790785 XBHPBQSPAFSYPR-UHFFFAOYSA-N 380.897 3.552 0 40 GHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 5870074 PUUIKIMCXYJBOO-INIZCTEOSA-N 375.350 3.972 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnnn2-c2cc(C)ccc2C)c1 6946125 ZRALYFFVCMONNE-OAHLLOKOSA-N 395.488 3.601 0 40 GHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 9425803 KAMPRXHQHOJEOJ-CQSZACIVSA-N 394.876 3.627 0 40 GHAB Cc1cccc(C)c1OCC(=O)NCc1c(C)nn(Cc2ccccc2)c1C 7824420 VSJAPZFYRNGQJE-UHFFFAOYSA-N 377.488 3.860 0 40 GHAB Cc1c(CC(=O)Nc2cccc([C@@H](C)O)c2)c(=O)oc2cc(O)c(Cl)cc12 9530504 CZAOXLXXLZXXIN-LLVKDONJSA-N 387.819 3.695 0 40 GHAB COC(=O)c1ccc(CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 8129397 PJVDLYNIWNHPFQ-UHFFFAOYSA-N 394.452 3.717 0 40 GHAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(OC)cc2)C1=O 8131938 NHDHAXOKFQIBHZ-JOCHJYFZSA-N 398.434 3.655 0 40 GHAB Cc1ccccc1OCc1nnc(S[C@H]2C[C@H](C)OC2=O)n1-c1ccccc1 8191285 WTNVIXQJLWQSOW-YJBOKZPZSA-N 395.484 3.951 0 40 GHAB CC1=CC(C)(C)N(C(=O)CSc2nnnn2-c2ccccc2)c2ccccc21 9050506 KUWWCMYRZGCPKX-UHFFFAOYSA-N 391.500 3.983 0 40 GHAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CC1(O)CCCC1)OCCO3 97002260 DEWGQNYJETWZAH-INIZCTEOSA-N 385.504 3.868 0 40 GHAB CN(C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1)[C@H]1CCc2ccccc21 72303991 DCJACFDJWODQLY-FQEVSTJZSA-N 399.516 3.526 0 40 GHAB Cc1ccc(-c2nnc(Cn3c(SCC(=O)O)nc4ccccc43)o2)cc1 9925732 MCPJGATYPULKND-UHFFFAOYSA-N 380.429 3.620 0 40 GHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)CCc2nc3ccccc3s2)c1 9903921 ZBZIVAGSNPNIPV-UHFFFAOYSA-N 394.500 3.567 0 40 GHAB O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)C1(c2ccc(Cl)cc2)CCCC1 89783080 LFLYVYAJCOCPJT-MOPGFXCFSA-N 376.928 3.521 0 40 GHAB O=C(COc1ccc(Cl)cc1)NCC1CCN(Cc2cccs2)CC1 23128046 RDIKTECZLVIZSW-UHFFFAOYSA-N 378.925 3.809 0 40 GHAB Cc1cc(O[C@H](C)C(=O)NCc2nc(-c3cccs3)no2)ccc1Cl 24577324 AJHKRIUZHTUYCM-LLVKDONJSA-N 377.853 3.844 0 40 GHAB CCCc1ccc(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 23211914 SDMPALAVDHMTRL-NRFANRHFSA-N 388.939 3.854 0 40 GHAB O=C(Nc1ccc2nccnc2c1)c1ccc(OC(=S)N2CCCC2)cc1 408977648 XAKMJFQSRQETBU-UHFFFAOYSA-N 378.457 3.642 0 40 GHAB Cc1ccc(C(=O)N2CC[C@@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)s1 306140452 UTZXHQIYMOIRLY-OAQYLSRUSA-N 397.475 3.874 0 40 GHAB COc1ccc(Nc2nc(NCc3ccccc3)c3nccnc3n2)cc1OC 31817578 CLPZOAJDZXTQJW-UHFFFAOYSA-N 388.431 3.793 0 40 GHAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 306127008 FLJLGRLPYUUMSH-IFMALSPDSA-N 394.471 3.643 0 40 GHAB CCOc1ccccc1N[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 36635837 ISDBGCKKVWQEDB-HNNXBMFYSA-N 389.249 3.592 0 40 GHAB COc1ccc(Cc2nnc(SC(=O)c3ccc(OC)cc3OC)o2)cc1 409393715 ZFCITGKLVGANSE-UHFFFAOYSA-N 386.429 3.619 0 40 GHAB O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 30255716 DEGYFBNWSHIQTD-UHFFFAOYSA-N 395.356 3.834 0 40 GHAB CC[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 219263206 WWJSGIKASHDPBV-GOSISDBHSA-N 395.521 3.730 0 40 GHAB CCc1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 219297061 CMCOUWAGFGIZPU-OAHLLOKOSA-N 395.459 3.734 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)NC3CCCCCCC3)ccc21 225731001 HSQMVQZKMHJJHT-UHFFFAOYSA-N 382.551 3.864 0 40 GHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(F)cc2)cc1Cl 224924586 KAAACORQRYRCRF-UHFFFAOYSA-N 385.844 3.871 0 40 GHAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(N)c2)c1 226263687 BOQMHSQTYIIUHC-UHFFFAOYSA-N 396.535 3.842 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCOc1ccccc1 222968740 UCAVOAZFEYVFAV-QGZVFWFLSA-N 386.467 3.538 0 40 GHAB CC(C)C[C@H](CNc1nc(-c2cccnc2)nc2ccccc12)N1CCOCC1 40047105 KYMYJXLUERWYCS-LJQANCHMSA-N 391.519 3.851 0 40 GHAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(CN2CCCC2=O)cc1 224716069 KOFGSAIBRMNPEG-UHFFFAOYSA-N 378.457 3.580 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)NC1(c2nc(-c3cccnc3)no2)CCCCC1 77197451 MRWQFLVSHYZGTR-INIZCTEOSA-N 392.459 3.875 0 40 GHAB O=C(O)[C@@H](Cc1cc(Cl)cc(Cl)c1)N1CCN(c2ccccc2)CC1 225146588 RWAOWCOTPNHBCW-GOSISDBHSA-N 379.287 3.811 0 40 GHAB COc1cccc(CN(C(=O)Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223052016 ATWCGEQKVSUISC-SFHVURJKSA-N 396.531 3.878 0 40 GHAB CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1OCC 223699372 AFBYODSANVPORZ-UHFFFAOYSA-N 399.896 3.625 0 40 GHAB C[C@@H](c1nc(C(C)(C)c2ccc(Cl)cc2)no1)S(=O)(=O)C1CCOCC1 574240627 PSASAFTXZJUDQJ-LBPRGKRZSA-N 398.912 3.704 0 40 GHAB CC(C)Oc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 225568686 ANEQABFQXLOYCW-UHFFFAOYSA-N 388.489 3.511 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 224135176 MNEGKWZADQTTKQ-IBGZPJMESA-N 390.886 3.965 0 40 GHAB CC(C)CNC(=S)Nc1nc(N2CCC(C)CC2)cc(C(F)(F)F)n1 225892992 HYUXXYPXZNCSCC-UHFFFAOYSA-N 375.464 3.674 0 40 GHAB O=C(c1ccc(Cl)cc1)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96099570 HFSZEMJMVNSPBC-JJTKIYQPSA-N 389.904 3.950 0 40 GHAB NC(=S)[C@@H]1[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515498 KLHKVLKRGVHTAK-RRFJBIMHSA-N 386.325 3.835 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@@H](Cc2cncc(-c3ccccc3C(=O)O)n2)C1 257239975 HRPZJERADPDZPB-HNNXBMFYSA-N 381.476 3.669 0 40 GHAB C[C@H](O)c1cccc(NC(=O)CCCCC(=O)Nc2cccc([C@H](C)O)c2)c1 255187730 GMAGTDWBGPKONC-HOTGVXAUSA-N 384.476 3.931 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@](C)(c3ncc(Cc4ccccc4F)o3)C2)no1 257280293 OKIGUJZMJNDQNB-OAQYLSRUSA-N 383.423 3.895 0 40 GHAB Cc1cc(-c2cnc3c(cnn3C3CCN(C)CC3)c2)ccc1O[C@@H]1CCOC1 623168137 FFDKQGMBSMGVDO-OAQYLSRUSA-N 392.503 3.841 0 40 GHAB O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 652445449 HVUDDTKJZHPLRN-KRWDZBQOSA-N 390.890 3.677 0 40 GHAB Cc1cc(Br)c2[nH]nc(NC(=O)[C@H]3CCC[C@@H](N(C)C)C3)c2c1 1149636202 YYOYVUXQCQSODC-NWDGAFQWSA-N 379.302 3.693 0 40 GHAB O=C(O)[C@@H](c1cccc(Cl)c1Cl)N1C[C@@H](CO)[C@H](c2ccsc2)C1 659795794 AJOARXHPPDACFN-DETPVDSQSA-N 386.300 3.889 0 40 GHAB Cc1noc(C)c1CCC(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96096578 MSNNYQRZOJWCMM-UHFFFAOYSA-N 386.477 3.742 0 40 GHAB CN(C)c1ccc(C(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)cc1 96099873 HCBAPHKJAJFMDZ-UHFFFAOYSA-N 398.557 3.900 0 40 GHAB CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)cc1 684798851 SMFXWPSDARFRJJ-LEWJYISDSA-N 399.535 3.518 0 40 GHAB CNS(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2c(C)cccc2C)c1 585100164 DCVWQOLOIQYRLL-GOSISDBHSA-N 387.505 3.581 0 40 GHAB C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)c3ccc(C(F)F)nc3)CC2)n1 585090840 QJDRJWGBZHLFQI-RISCZKNCSA-N 376.407 3.621 0 40 GHAB COc1cc(C(=O)N2CCc3cc(Br)ccc32)cc(OC)c1OC 69361074 WQEJDTDMFXKTOT-UHFFFAOYSA-N 392.249 3.678 0 40 GHAB O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)N1CCC(c2ccon2)CC1 952852425 SADGLFJKPUBJAD-MRXNPFEDSA-N 381.398 3.985 0 40 GHAB Cc1ccc(NC(=O)CN(CCO)c2ccc(Br)cc2)c(C)c1 84133378 FFAKPIRHLKNVGR-UHFFFAOYSA-N 377.282 3.503 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1 1615154387 GBXDEKCMBAHSGC-XMMPIXPASA-N 392.499 3.732 0 40 GHAB Cc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1Br 5678928 UAJXMUYLBBFMFD-HNNXBMFYSA-N 387.277 3.745 0 40 GHAB O=S(=O)(Nc1ccccn1)c1ccc(Nc2ncnc3ccccc23)cc1 11990858 BOFXVZDMKZVDGA-UHFFFAOYSA-N 377.429 3.569 0 40 GHAB COCCC(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2ccccn2)cc1 12220525 HASVALLHBGVUFA-UHFFFAOYSA-N 390.487 3.982 0 40 GHAB C[C@@H]1C[C@@H]1C(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccncc2)cc1 12221995 NBHAQDDWJKFJNF-BEFAXECRSA-N 387.487 3.544 0 40 GHAB C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)c1ccc(F)c(F)c1 12796153 DMEAUWGMSHSDKW-QFYYESIMSA-N 391.395 3.582 0 40 GHAB Cc1cc(C)cc(N2C(=O)N(c3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)c1 16740629 XFBBHPYRZUISIN-MSOLQXFVSA-N 390.892 3.569 0 40 GHAB Cc1ccc([C@H]2CCCN2C(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1C 19213856 PMKLXGKHCNUCFO-HXUWFJFHSA-N 376.456 3.934 0 40 GHAB Cc1nc(C)c(C(=O)NCCn2ncc(-c3ccccn3)c2-c2cccs2)o1 19559404 XIYJAGCAEFADAE-UHFFFAOYSA-N 393.472 3.708 0 40 GHAB COc1cc(CN2Cc3ccccc3OC3(CCN(C)CC3)C2)cc(OC)c1 19588414 YTCGNIOHDOOZEE-UHFFFAOYSA-N 382.504 3.563 0 40 GHAB CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(Cc2cccc(OC(C)C)c2)C1 19739208 XOUGWDANPZHKPQ-QHCPKHFHSA-N 399.535 3.766 0 40 GHAB Cc1ccc(OC2CCN(C(=O)CCc3nc(O)c4ccccc4n3)CC2)cc1 604848262 YLBBQZYFBMGXNU-UHFFFAOYSA-N 391.471 3.646 0 40 GHAB CC(C)NC(=O)C1(C[C@H]2CC(c3ccc(C(F)(F)F)cc3)=NO2)CCOCC1 12226522 HBYLPVJZXOYDFU-MRXNPFEDSA-N 398.425 3.910 0 40 GHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](C)c1nnc2ccccn12 25994388 QSFXNBUWJFOFCP-LBPRGKRZSA-N 385.493 3.575 0 40 GHAB O=C([C@H](Sc1nnc(-c2ccccc2F)o1)c1ccccc1)N1CCOCC1 5473687 DEJQFJPEGJDZNX-QGZVFWFLSA-N 399.447 3.568 0 40 GHAB Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N[C@@H](C)c1ccccc1 794661 NWKGZJKQFYZPLF-VIFPVBQESA-N 390.203 3.850 0 40 GHAB O=C(CSc1nnc(NC(=O)c2cccs2)s1)Nc1ccc(F)cc1 4078039 MUURFCCXDPMBAX-UHFFFAOYSA-N 394.478 3.722 0 40 GHAB COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2OC)CSC3)cc1 4077176 BKHBFOSQVWACIE-UHFFFAOYSA-N 381.457 3.889 0 40 GHAB CCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(OC)ccc21 4193298 RHFLJFKLJIZOOM-UHFFFAOYSA-N 377.849 3.516 0 40 GHAB COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)c(OC)c1 4305094 ALKNGKXNZJFMQU-HXUWFJFHSA-N 392.455 3.831 0 40 GHAB CCOc1cccc2cc(-c3nc(-c4cccc(OC)c4OC)no3)c(=O)oc12 6868045 BVUOIXSITYZNTG-UHFFFAOYSA-N 394.383 3.926 0 40 GHAB COc1cccc(-n2nnc(C(=O)NCc3ccc(C)cc3)c2-c2cccnc2)c1 49003626 MULCLRFYRYPTJH-UHFFFAOYSA-N 399.454 3.576 0 40 GHAB COc1cccc(C(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)c1 35597366 PLVLKJOQQDWLTQ-UHFFFAOYSA-N 386.415 3.667 0 40 GHAB Cn1c(C(=O)NCCNC(=O)c2ccc(Cl)cc2Cl)cc2ccccc21 20717217 GOIFBOGWNZSNBP-UHFFFAOYSA-N 390.270 3.645 0 40 GHAB Cc1nc(-c2cc3ccc(OCC(=O)Nc4cccnc4)cc3oc2=O)cs1 20726510 NCVDIOKGIPZGGR-UHFFFAOYSA-N 393.424 3.637 0 40 GHAB C[C@H](Oc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)C(=O)c1ccccc1 101687804 CIKRJDHEULFVTN-RYGJVYDSSA-N 375.424 3.792 0 40 GHAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)[C@@H]1CC(=O)N(C2CCCC2)C1 21534065 LYUSAWSPAPISMN-CQSZACIVSA-N 398.532 3.626 0 40 GHAB CC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)N[C@H](C)c1ccco1 32907172 XMEQYSXFCGMQMV-LLVKDONJSA-N 385.445 3.810 0 40 GHAB CC(C)NC(=O)NCc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 21934730 WWEKPSNRUMCULM-UHFFFAOYSA-N 383.467 3.838 0 40 GHAB O=C(c1ccccc1Nc1ccc(F)cc1)N1CCN(C[C@@H]2CCCO2)CC1 23732464 VIIDJECESQFJRH-IBGZPJMESA-N 383.467 3.506 0 40 GHAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 1466590 JDXBNNARHYESHU-UHFFFAOYSA-N 382.725 3.594 0 40 GHAB c1cnn(Cc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)o2)c1 2788893 IPRDXEJDRMXMOK-UHFFFAOYSA-N 376.445 3.723 0 40 GHAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccco3)on2)sc(C(C)=O)c1C 4881121 VIHDGURSFZICKR-UHFFFAOYSA-N 388.401 3.936 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nc(-c2ccc(OC)cc2)n[nH]1 6154487 OYKIWQDDEWCWGN-UHFFFAOYSA-N 384.461 3.610 0 40 GHAB CCCCOC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O 6650121 UEIWRMDGHBOKJY-JYRVWZFOSA-N 398.824 3.628 0 40 GHAB COC(=O)c1ccc(/C=C/C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 6650719 VFLBABOSMYUHQM-IZZDOVSWSA-N 377.362 3.864 0 40 GHAB COc1ccc(C(=O)[C@H](C)Sc2nncn2-c2ccccc2C)c(OC)c1 7990610 XRYPZLVNRANXCR-AWEZNQCLSA-N 383.473 3.956 0 40 GHAB Cc1sc2ccccc2c1S(=O)(=O)N1CCCC[C@@H]1[C@@H](O)C(F)(F)F 108137253 DYMAAIZONQBRAE-IUODEOHRSA-N 393.452 3.676 0 40 GHAB Cn1ncc2c1CCC[C@H]2NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 57430820 NPRKOXSFEQPDSH-GFCCVEGCSA-N 392.937 3.995 0 40 GHAB Cc1cc(-n2c(SCC(=O)NC(C)C)nc3ccsc3c2=O)ccc1F 57489476 WSZFXVWSZAXLQH-UHFFFAOYSA-N 391.493 3.511 0 40 GHAB CC(C)Cn1c(SCC(=O)NC2CCCCC2)nc2ccsc2c1=O 57426192 LKIKSBPGWNTFPU-UHFFFAOYSA-N 379.551 3.655 0 40 GHAB CCN1CCC(N(C2CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 58010704 VNOHCLIYVMZSQT-UHFFFAOYSA-N 377.337 3.631 0 40 GHAB O=C(NCc1nc2ccccc2s1)Nc1cccc(CN2CCCC2=O)c1 58056117 SLZIKLRTDSBMCY-UHFFFAOYSA-N 380.473 3.740 0 40 GHAB CC1(C)[C@H]2CC=C(COC[C@@H](O)CN3CCO[C@@H](c4ccc(F)cc4)C3)[C@@H]1C2 58576466 HCTQBABQZRDQQK-JKLQHZFJSA-N 389.511 3.569 0 40 GHAB CCSc1nnc(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)s1 28286912 QBGOFMNNSVDYAE-SECBINFHSA-N 388.474 3.881 0 40 GHAB CCCn1c(SCC(=O)NC2CCN(CC)CC2)nc2cc(Cl)ccc21 11235560 XYKPKBCJXNBRFF-UHFFFAOYSA-N 394.972 3.792 0 40 GHAB Cc1cccn2cc(COc3ccc(C(=O)N=c4[nH]c5ccccc5[nH]4)cc3)nc12 11558775 GDZHCFQANKDLMA-UHFFFAOYSA-N 397.438 3.772 0 40 GHAB CCOc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc32)cc1OC 11612343 LIAYGAANVLUQBH-UHFFFAOYSA-N 390.233 3.586 0 40 GHAB O=C(NCCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)OCc1ccccc1 12390157 COSINNFIAAIHAF-UHFFFAOYSA-N 395.434 3.508 0 40 GHAB Cc1cn2c(/C=C/C(=O)NCc3ccc(Cn4cccn4)cc3)c(C)nc2s1 12575435 HDBWYMNEJCHCTH-CMDGGOBGSA-N 391.500 3.587 0 40 GHAB CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 47946193 BOIQIPQRXFRXPS-LJQANCHMSA-N 382.464 3.651 0 40 GHAB O=C1/C(=C/Nc2ccc(Cl)cn2)c2ccccc2C(=O)N1c1nccs1 3274162 IREYZOXGDOPHEV-GXDHUFHOSA-N 382.832 3.832 0 40 GHAB CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 113881124 PYOYGZWWPKCBCF-UHFFFAOYSA-N 375.490 3.679 0 40 GHAB COc1ccc2nc(C)c(C(=O)NCc3ccccc3Cn3ccnc3)cc2c1 48253325 PNQXSFYIONTMPT-UHFFFAOYSA-N 386.455 3.727 0 40 GHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc3ncsc3c2)c1 48265388 MXQOPAZAZGRDGJ-UHFFFAOYSA-N 381.457 3.935 0 40 GHAB C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N1c2cccc3cccc(c23)S1(=O)=O 10449878 NDYDVNNGVLVNFE-CABCVRRESA-N 392.480 3.715 0 40 GHAB CC(C)CCNS(=O)(=O)c1cc(Br)ccc1Br 12791281 OEQAZPWGBKHEBT-UHFFFAOYSA-N 385.121 3.536 0 40 GHAB Cc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4O)CC3)cs2)cc1 12791758 JVDPIGCOLRCLOP-UHFFFAOYSA-N 379.485 3.787 0 40 GHAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccccc1N1CCc2ccccc21 48362534 QLYHGEUWOFZSNI-INIZCTEOSA-N 378.476 3.513 0 40 GHAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 48354228 XWCAFKOMBNDXGT-SNVBAGLBSA-N 375.837 3.814 0 40 GHAB O=C(COc1ccc(Br)cc1F)NCCc1ccc(Cl)cc1 3404198 RKJSQZUQYSMKRZ-UHFFFAOYSA-N 386.648 3.979 0 40 GHAB COc1ccc(OC)c(-c2csc(NC(=O)COc3cccc(F)c3)n2)c1 3450410 HLTKCPJWKNNCCS-UHFFFAOYSA-N 388.420 3.984 0 40 GHAB Cc1ccc(-c2csc(NC(=O)CCc3c(C)nc4ncnn4c3C)n2)cc1 12904552 SCQGSBVQTFGFNR-UHFFFAOYSA-N 392.488 3.744 0 40 GHAB O=C(Nc1ncc(Cc2ccccc2)s1)C1CCN(C(=O)c2ccco2)CC1 12928546 ICDVBXUCEZJCDB-UHFFFAOYSA-N 395.484 3.818 0 40 GHAB O=C(NCc1ccc2c(c1)OCCO2)c1c[nH]c2ccc(Br)cc12 12905644 BXOONFAFZYKGJI-UHFFFAOYSA-N 387.233 3.632 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)o2)cc1 13114540 AIXDMVSIDYUFCZ-HEHGZKQESA-N 375.494 3.778 0 40 GHAB O=C1N[C@H](c2ccncc2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 4091844 ZEZMYEUJLGBNPL-IBGZPJMESA-N 376.485 3.556 0 40 GHAB CCOc1ccc(C(=O)NCCc2c[nH]c(-c3ccccc3)n2)cc1OCC 13592585 LXSOOAGLACYYEP-UHFFFAOYSA-N 379.460 3.847 0 40 GHAB COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc2oc(C3CC3)nc2c1 64475729 ZUSURRYPHIARJU-UHFFFAOYSA-N 386.429 3.601 0 40 GHAB COc1ccccc1-c1nc(C(=O)N2CCOCC2)cc2c1[nH]c1ccccc12 6166186 SWIMMYLYLUVUKW-UHFFFAOYSA-N 387.439 3.864 0 40 GHAB biogenic Cc1cc(Cl)ccc1N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O 22273550 QMQCBIMUCGPMKX-UHFFFAOYSA-N 387.288 3.707 0 40 GHAB Cc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1S(=O)(=O)N(C)C 6301615 KXIAVIZSYXGUOE-PKNBQFBNSA-N 378.881 3.551 0 40 GHAB Cc1csc(S[C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n1 14199126 LOVUDTSOSJSHQY-IWERZKIRSA-N 379.551 3.727 0 40 GHAB O=C(CCn1cncn1)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 14236801 BTCWPGPKMRTULP-UHFFFAOYSA-N 382.276 3.661 0 40 GHAB Cc1ccccc1-n1nnnc1SC[C@@H](O)COc1ccccc1C(C)(C)C 14238494 SIYXTWNHDYOWAO-INIZCTEOSA-N 398.532 3.800 0 40 GHAB O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1ccc(F)c(F)c1 5454826 LNVGABCZXRWBTA-UHFFFAOYSA-N 399.220 3.729 0 40 GHAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3cc(C)ccc3C)ccc21 5429158 BUPCVOMXDOIVCU-UHFFFAOYSA-N 389.542 3.991 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1COc2ccccc2O1 5631311 PXYBUAZZBNRRDR-DGCLKSJQSA-N 382.243 3.717 0 40 GHAB O=C(Nc1nnc(C2CCCCC2)s1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4815897 ROSVTZIPLRAZSA-CYBMUJFWSA-N 388.468 3.717 0 40 GHAB CN(CCCn1c(=O)oc2ccccc21)[C@H](c1cccc(F)c1)c1cnn(C)c1 72291815 YZSAJOAZPHHHSD-OAQYLSRUSA-N 394.450 3.579 0 40 GHAB O=C(CC1(C(=O)O)CCCCCC1)Nc1cc(N2CCOC2=O)ccc1F 71825414 RIJLZDUOHCVQJT-UHFFFAOYSA-N 378.400 3.536 0 40 GHAB CCn1c(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1C1CC1 7618501 XBJVMDPGCQABQC-UHFFFAOYSA-N 396.520 3.709 0 40 GHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCc1ccc(Cl)cc1Cl 7738387 PSEHKFCHDISQOK-UHFFFAOYSA-N 390.270 3.521 0 40 GHAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CCc2ccccc21 7763867 JRSZLZHZYVOMBZ-UHFFFAOYSA-N 396.541 3.947 0 40 GHAB CCCOc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Br 19943118 XPEWGGWYYCMRIM-CHWSQXEVSA-N 390.343 3.905 0 40 GHAB COc1ccc(C(=O)[C@H](C)OC(=O)c2sc(-c3ccccn3)nc2C)cc1 8006476 PQROSLFSDMOZSK-ZDUSSCGKSA-N 382.441 3.950 0 40 GHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)Cc2cccs2)c1C 8036940 SYDGLROKXSSQIU-QGZVFWFLSA-N 386.517 3.554 0 40 GHAB O=C(COc1ccc2c(c1)OCO2)N1N=C(c2ccco2)C[C@H]1c1cccs1 8183909 NEEXUOIXDKTGOD-HNNXBMFYSA-N 396.424 3.827 0 40 GHAB O=C(CSc1nnc2ccccn12)N[C@@H](c1ccccc1)c1cccs1 8156913 AYUNILMVLKGRFH-SFHVURJKSA-N 380.498 3.789 0 40 GHAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cnc4c(C)cccn34)C2)cc1 92708844 VAJSRYZMLQQQSZ-IBGZPJMESA-N 391.519 3.985 0 40 GHAB CCNC(=O)c1cc(NC(=O)c2cnc(OCC)c(Cl)c2)nc2ccccc12 95975783 OYHUNYGCQSUMIF-UHFFFAOYSA-N 398.850 3.684 0 40 GHAB CC[C@@H](C(=O)NCc1cccc(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 113945709 HKZDCAWHOWZUFO-SFHVURJKSA-N 394.924 3.509 0 40 GHAB Cc1ccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3O)C2=O)cc1 409231053 HYPSUBXBMJNKRP-OQLLNIDSSA-N 387.233 3.556 0 40 GHAB CCOc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(Br)c1O 409054455 AENJDQKIAUHTNY-GHXNOFRVSA-N 386.267 3.998 0 40 GHAB CC(C)c1ccc([C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)c2cccs2)cc1 39995662 IEFTYRDKTBZEMG-SJLPKXTDSA-N 377.531 3.512 0 40 GHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCC(=O)c1ccc(C)cc1 32964092 KQIICDKNZAKVSV-UHFFFAOYSA-N 396.487 3.844 0 40 GHAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 219583433 TWHYYWADFYIFLP-ROUUACIJSA-N 393.480 3.654 0 40 GHAB COc1ccccc1NC(=O)CNC(=O)c1ccc(COc2ccc(C)cc2)o1 408561309 HOTULPGGTONVNV-UHFFFAOYSA-N 394.427 3.544 0 40 GHAB COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4coc(C)n4)C3)n2)c1 72363264 ZAOREDIZQKEGQG-HNNXBMFYSA-N 394.431 3.594 0 40 GHAB CCOc1ccc(NC(=O)CN(C)C(=O)CC2CCCCC2)cc1OCC 32966665 QUNTUEMXYODZIW-UHFFFAOYSA-N 376.497 3.851 0 40 GHAB CN(CCNC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccccc1 219468993 OSEIJSRPADVVJD-UHFFFAOYSA-N 387.483 3.833 0 40 GHAB O=C(NC1CCCC1)c1cc([C@@H]2CCCN(CCCc3ccccc3)C2)n[nH]1 72380621 QNUUWZWNDMXKBJ-LJQANCHMSA-N 380.536 3.894 0 40 GHAB CCN(CC)[C@H](CNC(=O)Nc1cc(OC)c(OC)c(OC)c1)CC(C)C 40096205 ZHDCPLPFGKFIMU-INIZCTEOSA-N 381.517 3.590 0 40 GHAB Cc1ccccc1CN(C(=O)COc1ccccc1)[C@@H](C)C(=O)NCC(C)C 224111227 CSFQSKNCOUVXGJ-IBGZPJMESA-N 382.504 3.563 0 40 GHAB COc1ccc(-c2noc(CNC(=O)Nc3ccc(Cl)cc3)n2)c(OC)c1 222637270 FGYHPLPGAVFAGT-UHFFFAOYSA-N 388.811 3.729 0 40 GHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1 224516502 XONAFOFBAXXWBG-NRFANRHFSA-N 382.504 3.645 0 40 GHAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc(OC)c(C)c1C 223334484 IVSHFIURUOXLFU-UHFFFAOYSA-N 377.506 3.622 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 41781299 VCCQATSVHDROSM-NSHDSACASA-N 387.288 3.607 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1C 225175214 UIIMDMYRJPKLIT-UHFFFAOYSA-N 396.468 3.568 0 40 GHAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSc1ccccc1 225682210 IOKYBYLYKPHYGJ-SFHVURJKSA-N 384.545 3.763 0 40 GHAB Cc1ccc(C(=O)N2CCCC2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224314331 JIGZXHALUVGCSW-UHFFFAOYSA-N 392.908 3.710 0 40 GHAB CCCCOc1ccc(C(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)cc1 43978730 UQVQKXWIXNYHMY-UHFFFAOYSA-N 389.540 3.815 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCO2)cc1NC(=O)c1ccc(Cl)cc1F 48345870 JMZKENWZTYLEGB-KRWDZBQOSA-N 392.814 3.858 0 40 GHAB CN(c1ccc(Cl)c(C(=O)NC(C)(C)C)c1)S(=O)(=O)c1ccccc1 224327945 MJMRDTDIRDWIMK-UHFFFAOYSA-N 380.897 3.693 0 40 GHAB CNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccccc3F)CC2)Oc2ccccc21 96243020 KLYXXHBSWAPUHJ-INIZCTEOSA-N 396.462 3.503 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 245228941 JJCQAOSVQPOVIA-YXUGBTPSSA-N 392.842 3.904 0 40 GHAB C[C@]12C[C@@H]3N[C@H]1CCC[C@H]2N(C(=O)COc1ccccc1)[C@@H]3Cc1ccccc1 257256175 KKJMKTFYSIRMGG-XRTSLUGZSA-N 390.527 3.808 0 40 GHAB C[C@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)N[C@H](C)c1ccccc1 585655859 OTAXUHCVMDWHSI-KGLIPLIRSA-N 391.500 3.875 0 40 GHAB COc1cccc(Cc2cnc([C@@]3(C)CCCN(C(=O)c4cncs4)C3)o2)c1 257313451 USMVNTJJCQTJNR-NRFANRHFSA-N 397.500 3.924 0 40 GHAB CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 253480220 VNMRXZNXEDNUMN-RBPBXQJFSA-N 390.543 3.540 0 40 GHAB Cc1cccnc1C(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2 257213931 CJTJNMKZSAFQMF-ROLQDKDTSA-N 375.516 3.746 0 40 GHAB CNC(=O)c1sc2nc([C@@H]3CCCN3Cc3ccc(F)cc3)ccc2c1N 257288507 PUKKBDAHCNWABQ-INIZCTEOSA-N 384.480 3.714 0 40 GHAB C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)Cc1nnc(O)c2ccccc12 543732538 AYRHIGZGMWTOSX-LBPRGKRZSA-N 389.377 3.644 0 40 GHAB CON(C[C@@H]1CCCc2ccccc21)C(=O)[C@H](C)n1ccc(C(F)(F)F)n1 1156009586 VCERTFZZEXBPKG-ZFWWWQNUSA-N 381.398 3.973 0 40 GHAB O=C(c1ccc(Br)cc1)N1CC(Oc2nc3ccccc3s2)C1 90594012 YFOBDNUAXRAHCN-UHFFFAOYSA-N 389.274 3.962 0 40 GHAB COc1ccc(CC(=O)NCc2cccc(Oc3ccccn3)c2)cc1OC 96382463 HDEHRVYXULXIIU-UHFFFAOYSA-N 378.428 3.750 0 40 GHAB O=C1CC2(CCN(C(=O)c3cccc(F)c3)CC2)CN1Cc1cccc(F)c1 585099735 HPWXNZSKMJFQKS-UHFFFAOYSA-N 384.426 3.620 0 40 GHAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1cc(Cl)ccc1F 585111438 ANFAXCMMVPAXAG-LJQANCHMSA-N 399.853 3.768 0 40 GHAB C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCN(CC2CC2)c2ccccc21 1642184814 XSSBNXMNYDTZPV-MRXNPFEDSA-N 399.485 3.749 0 40 GHAB C[C@@H](OC(=O)/C=C/c1ccc(Br)o1)C(=O)N[C@@H]1CCCC[C@H]1C 6066240 FPNMRCDCKBEDQR-XMZVZTNKSA-N 384.270 3.682 0 40 GHAB CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 8091610 UKWFNDTWADAPBD-NYYWCZLTSA-N 382.159 3.684 0 40 GHAB COc1cccc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)c1 5439412 VKFWYYXUJHBMSN-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 13685767 KXUKXSSSMSEFHD-MSOLQXFVSA-N 396.487 3.618 0 40 GHAB Cc1cc(COC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)no1 16922407 WRMUVWJRESWDFV-UHFFFAOYSA-N 378.428 3.732 0 40 GHAB CCCC1(CCC)NC(=O)N(CC(=O)N[C@@H](C)c2cc3ccccc3o2)C1=O 19314370 ONWAITAXENGYRM-AWEZNQCLSA-N 385.464 3.501 0 40 GHAB COc1ccc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)c(OC)c1 19453641 DPDZYBZRVVIBGT-UHFFFAOYSA-N 396.535 3.776 0 40 GHAB C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1cc2cc(Cl)ccc2o1 19458498 IQFORJMMGXWITE-ZFWWWQNUSA-N 397.862 3.707 0 40 GHAB CCc1nc2ccccc2n1[C@@H](C)C(=O)Nc1nc(-c2nonc2C)cs1 19666277 FYKAKLCJNCQFDR-NSHDSACASA-N 382.449 3.613 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)NCCc3nc(C(C)(C)C)cs3)CC2=O)c(C)c1 19714985 SWGVQVUYLPNIFO-MRXNPFEDSA-N 399.560 3.769 0 40 GHAB O=C(CSc1ccc(F)cc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206786159 ICKKWYORYSSASZ-CQSZACIVSA-N 399.413 3.727 0 40 GHAB Cc1nc2cc([C@H]3CCN(Cc4ccc(OC(C)C)cc4)C3)nn2c(O)c1C 12255329 XGEZPLJROSOYBT-SFHVURJKSA-N 380.492 3.828 0 40 GHAB Cc1ccsc1CN1CCC[C@@H](c2ncc(Cl)cc2S(C)(=O)=O)C1 19238628 GPDMCDWIELGVGD-CYBMUJFWSA-N 384.954 3.888 0 40 GHAB Cc1ccc(OCCN(C)Cc2c([C@@H]3CCCNC3)[nH]c3ncccc23)cc1 19211053 UAUDURBQCSCWIN-GOSISDBHSA-N 378.520 3.849 0 40 GHAB O=C1CC[C@]2(C(=O)OCc3nc4ccccc4s3)Sc3ccccc3N12 3567887 JNVMFPMNHMFPFZ-LJQANCHMSA-N 382.466 3.969 0 40 GHAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccccc1C(=O)c1ccccc1 5360318 BEWBFPIEQFNZGB-UHFFFAOYSA-N 399.406 3.589 0 40 GHAB Cc1cc(N2C[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)nc(C2CC2)n1 1888855773 HWPSRTKQFWNEHF-HUUCEWRRSA-N 389.425 3.649 0 40 GHAB COc1ccc(Cn2c(=O)n(C)c3cnc4ccc(Br)cc4c32)cc1 1857775559 UJXRLOSRXAGZKO-UHFFFAOYSA-N 398.260 3.708 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)cc1 936501 UGGUCGIVMXQZCN-UHFFFAOYSA-N 394.924 3.558 0 40 GHAB CCOc1cccc2sc(N(CCN(C)C)C(=O)c3cccs3)nc12 4359262 XVIZWDJWIRBFOW-UHFFFAOYSA-N 375.519 3.965 0 40 GHAB O=C(CN1C(=O)C[C@@H](c2ccco2)Sc2ccccc21)NCc1ccco1 5053366 LLXMUCGFMCWUAZ-SFHVURJKSA-N 382.441 3.759 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1Cl 9173701 GVRMQLBZLMVQQJ-UHFFFAOYSA-N 394.880 3.806 0 40 GHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21 12180412 SVQMTOLNZMBEIA-UHFFFAOYSA-N 392.908 3.971 0 40 GHAB O=C(Cc1c(F)cccc1Cl)Nc1cccc(-c2ccc3nncn3n2)c1 13538626 HIFGIBLEFSQUNT-UHFFFAOYSA-N 381.798 3.765 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)c3c(F)cccc3Cl)n2)cc1 13796616 YNOPZCFGPITPBJ-UHFFFAOYSA-N 399.853 3.831 0 40 GHAB Cc1cc(S(=O)(=O)[C@@H](CNC(=O)CC(C)C)c2cccs2)ccc1F 15781012 WGIYVMLOZIZWTP-KRWDZBQOSA-N 383.510 3.873 0 40 GHAB CCCN1C(=O)/C(=C\N[C@@H](C)c2ccc(-c3ccccc3)cc2)C(=O)NC1=S 24060455 CBBCKIQAWWKZGV-NOMGLIDZSA-N 393.512 3.541 0 40 GHAB CCc1nn2c(=O)cc(CNc3ccc(OC(F)F)c(Cl)c3)nc2s1 30291320 BORZRGAIFNQECI-UHFFFAOYSA-N 386.811 3.580 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 40050470 LOPLCBVBIOSXQA-NRFANRHFSA-N 379.504 3.726 0 40 GHAB CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)c1nc(-c2ccccc2)cs1 40152152 XZVVGBVMXOFLSR-UHFFFAOYSA-N 394.562 3.724 0 40 GHAB CC(C)(C)c1cc(N/C=C\c2nnnn2-c2ccc(Br)cc2)no1 100662198 RDXAJBFDEKBWFD-HJWRWDBZSA-N 389.257 3.793 0 40 GHAB Cc1ccc(C(=O)Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 100744001 DAXNLRPFFBIFNM-CPLUKWAASA-N 375.424 3.750 0 40 GHAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1ncc(-c2cccc(Cl)c2)o1 32764975 UHJSDSRMSPHOHG-INIZCTEOSA-N 381.819 3.658 0 40 GHAB CN(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 102424321 UNPRZLTUIYDAJP-VKAVYKQESA-N 386.451 3.967 0 40 GHAB CC(=O)c1ccc(CC(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)cc1 32915821 VYSJNPQQZYYBSB-UHFFFAOYSA-N 390.439 3.692 0 40 GHAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccccc2Br)o1 22246443 UZCLKNHHQAVPMB-AAEUAGOBSA-N 384.295 3.986 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccc(N)cc3s2)cc1 815673 HUOFCFKXPMHPJB-UHFFFAOYSA-N 387.486 3.786 0 40 GHAB Cc1cc(I)ccc1NC(=O)C1SCSCS1 940819 UNWBCVOLLVGKEJ-UHFFFAOYSA-N 397.328 3.992 0 40 GHAB Cc1cc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)nc(C(C)C)n1 9112624 STTWMTDILYLCAL-UHFFFAOYSA-N 398.576 3.781 0 40 GHAB CCOC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(OC)cc1 900352 BQKOMIHDTFQMHH-UHFFFAOYSA-N 383.473 3.907 0 40 GHAB CCOC(=O)CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1CC 976293 PBVSTVJXGKYJRF-UHFFFAOYSA-N 388.415 3.584 0 40 GHAB Clc1nc(N2CCc3ccccc3C2)nc(N2CCc3ccccc3C2)n1 986024 BTVPFQCDWASNAL-UHFFFAOYSA-N 377.879 3.650 0 40 GHAB O=C(Nc1cccc2c1CCCC2)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1363266 JUQGEICMSXVULK-GOSISDBHSA-N 398.528 3.605 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1OC 1379597 RDHQWNTYWPEHLF-KRWDZBQOSA-N 383.448 3.729 0 40 GHAB O=C(CNC(=O)c1ccccc1)NCc1ccc(-c2nc3ccccc3s2)o1 24751821 KJRMBIWVPMIOQW-UHFFFAOYSA-N 391.452 3.603 0 40 GHAB CCC(C)(C)NC(=O)[C@@H](OC(=O)c1cccs1)c1ccc(OC)c(OC)c1 4901688 GWNPTTGIFLHVGP-KRWDZBQOSA-N 391.489 3.968 0 40 GHAB CCOc1ccccc1NC(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1 4966678 IFWOPOWXWSOGFQ-UHFFFAOYSA-N 384.451 3.758 0 40 GHAB CCc1ccc(OCc2nnc(SCC(=O)NCCc3ccccc3)o2)cc1 6168823 CTSKSRDSHZTPGC-UHFFFAOYSA-N 397.500 3.662 0 40 GHAB CCN1CCN(c2ccc(NC(=O)COc3cccc4ccccc34)cc2)CC1 6517640 RXSRHPLPSKZFNO-UHFFFAOYSA-N 389.499 3.999 0 40 GHAB O=C(CCNC(=O)c1ccccc1Cl)NCc1cccc(C(F)(F)F)c1 6848090 NAJNLXRBECWCAJ-UHFFFAOYSA-N 384.785 3.795 0 40 GHAB CCC[C@@H](C)NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 6945192 ALHFLAGTHZNXQL-QGZVFWFLSA-N 388.533 3.804 0 40 GHAB O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)NC1CCCC1 26089967 NNZNRQDFKNRZJP-UHFFFAOYSA-N 385.514 3.598 0 40 GHAB CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10324646 KWHZRKKGYBXSSL-CQSZACIVSA-N 386.517 3.774 0 40 GHAB COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc4oc(C)nc4c3)sc2n1 57808030 AEDZUAJFENYDFZ-UHFFFAOYSA-N 398.444 3.857 0 40 GHAB Cc1c(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)[nH]c2c1C(=O)CCC2 57819940 XRVPVRSXGBSDDT-FQEVSTJZSA-N 382.460 3.740 0 40 GHAB CCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)O 2097899 ZFHLUKRCGRUOQZ-KRWDZBQOSA-N 399.443 3.685 0 40 GHAB biogenic CC(C)c1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1 22273249 ZUKXZVRESBRSBL-UHFFFAOYSA-N 380.897 3.868 0 40 GHAB C[C@@H]1CCCN(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)C1 27962424 PLQHLKOWBIIOJA-GDBMZVCRSA-N 379.551 3.800 0 40 GHAB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2cc3ccccc3[nH]2)C[C@@H](C)O1 27986141 KGNJDBRHRMJBQL-HUUCEWRRSA-N 377.444 3.670 0 40 GHAB CC[C@@H](C)COC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc12 2387561 XQFSYWUFOJQESS-KGLIPLIRSA-N 382.464 3.549 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 20610419 WJVKMIJAAJFHLY-UHFFFAOYSA-N 376.391 3.886 0 40 GHAB COCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 2417315 GQPDLYCUZZTYMN-DLBZAZTESA-N 397.866 3.663 0 40 GHAB Cc1c(C(=O)N(C)C)sc2ncn3nc([C@H]4C[C@@H]4c4ccccc4)nc3c12 2791556 PHJOPWRSMOLXJM-KGLIPLIRSA-N 377.473 3.620 0 40 GHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCNC(=O)c1ccc(Br)cc1 108325007 ZJJRCYIMEZXIEK-DVOMOZLQSA-N 381.314 3.510 0 40 GHAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCCC(C)C)C(=O)OC2 62001461 JAAMYNFUAQXXTD-MKMNVTDBSA-N 389.492 3.811 0 40 GHAB biogenic O=C1C[C@@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 102680780 XOLVWCSAOKQGPM-PBZHRCKQSA-N 386.234 3.953 0 40 GHAB C[C@@H]1C=CC[C@H]2C(=O)N(c3cc(Cl)ccc3OC(=O)c3ccco3)C(=O)[C@H]12 102593159 BYRSNFGFZUORSE-CJBNDPTMSA-N 385.803 3.854 0 40 GHAB COc1ccc(OCCC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 3279280 GJTQRNGRUDSSAD-UHFFFAOYSA-N 398.242 3.953 0 40 GHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(F)c2)cc1OC 12738344 ISRVBEUHJYHLPS-INIZCTEOSA-N 383.416 3.508 0 40 GHAB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cccc2ccccc12 20637670 ZAFOCJUYJMKFGN-PMACEKPBSA-N 385.423 3.910 0 40 GHAB CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 3360570 ZWUVSTLXRUHXFT-UHFFFAOYSA-N 388.533 3.720 0 40 GHAB Cc1ccc(-c2csc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)cc1C 3324242 OSOLOWNKBVYQCJ-UHFFFAOYSA-N 390.468 3.845 0 40 GHAB COc1ccccc1CN(C)CC(=O)Nc1ccc(Br)cc1F 3357547 GUVFABNNDJKCNW-UHFFFAOYSA-N 381.245 3.667 0 40 GHAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(c2ccc(O)cc2)CC1 12975732 YJZMPBWWNGFQBI-UHFFFAOYSA-N 375.472 3.917 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)CCc2ncc(-c3ccccc3)o2)c1C 12905602 WMOQBUCQRFTYHG-UHFFFAOYSA-N 377.444 3.646 0 40 GHAB CCOC(=O)c1ccsc1NC(=O)CN(CC)Cc1ccc(OC)c(F)c1 13008876 XQSWTXLJVGBZFM-UHFFFAOYSA-N 394.468 3.533 0 40 GHAB O=C(NCc1nnc2ccccn12)c1ccccc1C(=O)c1ccc(Cl)cc1 13005683 MFFVQXJRDSJDPR-UHFFFAOYSA-N 390.830 3.544 0 40 GHAB O=C(c1cccc(-c2cn[nH]c2)c1)N1CCO[C@@H](CCCc2ccccc2)C1 71388782 IPOVSKNCQZNBHF-QFIPXVFZSA-N 375.472 3.941 0 40 GHAB COc1ccccc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2 71327951 XNNNNPCZWZIXFH-UHFFFAOYSA-N 391.471 3.626 0 40 GHAB O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)Nc1cc(Cl)ccc1Cl 13691324 LALKWQQNXVSRPJ-AWEZNQCLSA-N 375.215 3.519 0 40 GHAB CC(=O)Nc1ccc(NC2(c3nnnn3-c3ccccc3C)CCCC2)cc1 6044933 ZXFCTWAUJXGVII-UHFFFAOYSA-N 376.464 3.811 0 40 GHAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc(N2C(=O)CCC2=O)cc1 4351515 RHGOAPRQMUWCFL-UHFFFAOYSA-N 392.436 3.821 0 40 GHAB C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(-n2cncn2)cc1 5245754 XURFWYSAICEAOZ-LBPRGKRZSA-N 391.258 3.830 0 40 GHAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)cc3)C2=O)cc1 4470646 DSYDGJITJSGKES-GZTJUZNOSA-N 382.441 3.630 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1cccc(-c2nnc3n2C[C@H](C)S3)c1 4727396 VYCZNAKJVFHGQO-LBPRGKRZSA-N 396.472 3.709 0 40 GHAB CC[C@@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C)cc1 5702048 AFQQFXBVFGEQFW-GOSISDBHSA-N 394.496 3.924 0 40 GHAB C[C@H](Sc1nc2sccc2c(=O)n1-c1ccccc1)C(=O)N1CCCCC1 6907485 KCKWTVPCEUJOMD-AWEZNQCLSA-N 399.541 3.940 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1csc2c1CCCC2 5935607 HSLQJMKAZFQXHE-UHFFFAOYSA-N 389.473 3.788 0 40 GHAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccc(N2CCCCC2)cc1 7022975 KSQIJVFRZXKDDA-UHFFFAOYSA-N 396.878 3.679 0 40 GHAB O=C(CSc1nnc(Nc2ccccc2)s1)NCCc1cccs1 7371972 PAHLOKPCDYKOQI-UHFFFAOYSA-N 376.532 3.794 0 40 GHAB CNC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)c1 9516441 HBDCSAPJSZHUPH-UHFFFAOYSA-N 387.439 3.859 0 40 GHAB CCn1nnc2cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)ccc21 7780135 MOUQUUIVGCWVQX-UHFFFAOYSA-N 392.459 3.765 0 40 GHAB Cc1c(C(=O)Nc2cccc(CN3CCOCC3)n2)oc2ccc(Cl)cc12 95981956 XRKBMTUPMKXBLT-UHFFFAOYSA-N 385.851 3.874 0 40 GHAB CN(C(=O)CN(CC(=O)N(C)c1ccccc1)C1CCCC1)c1ccccc1 83869552 QIKQTYZWXXJLKY-UHFFFAOYSA-N 379.504 3.557 0 40 GHAB Cc1ccc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 17081659 RIOUYYWCHVFRGZ-UHFFFAOYSA-N 399.343 3.808 0 40 GHAB COCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3ccccc3)nnc12 8710843 FFJULSBHZPHLKI-HNNXBMFYSA-N 394.500 3.934 0 40 GHAB Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)c1cccc2ccccc12 70761575 LFQFSEXCXQYNHW-GOSISDBHSA-N 375.877 3.814 0 40 GHAB Clc1ccc(OCc2nnc3sc(-c4cnccn4)nn23)c(Cl)c1 9053318 VROJPZSSPPNCLD-UHFFFAOYSA-N 379.232 3.529 0 40 GHAB CC[C@@H]1CCc2nc(NC(=O)c3ccc(=O)n(-c4ccccc4F)n3)sc2C1 89948305 KNUPAPVQBXBTMS-GFCCVEGCSA-N 398.463 3.595 0 40 GHAB Cc1ccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)s1 67205851 DBRZMLGMKYGXHS-UHFFFAOYSA-N 397.456 3.855 0 40 GHAB COc1ccc(N2C(=O)C[C@H](c3ccc(F)cc3)c3sc(=O)n(C)c32)cc1 66089700 FSICEILIHKKBJR-MRXNPFEDSA-N 384.432 3.795 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cccc(C)c3C)n2)cc1 219311899 CWQYXSBYFFBCHG-MRXNPFEDSA-N 395.459 3.788 0 40 GHAB COc1c(C)cccc1C(=O)Nc1ccc(I)cc1F 408619376 BNAAUHOBXMRIEJ-UHFFFAOYSA-N 385.176 4.000 0 40 GHAB CC[C@H](Oc1ccccc1C)C(=O)NCc1nc(-c2cccc(OC)c2)no1 219315587 GDMUXAMVOIKDOT-KRWDZBQOSA-N 381.432 3.527 0 40 GHAB O=C(O)c1ccccc1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 32604150 VXKWCSWZTNFLQH-UHFFFAOYSA-N 389.333 3.901 0 40 GHAB CC[C@H](C)NS(=O)(=O)c1ccc(NCCC2=CCCCC2)c(C(=O)O)c1 217558527 DPIBQFXKWHVZNB-AWEZNQCLSA-N 380.510 3.764 0 40 GHAB CCCCS(=O)(=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 31277554 JEKASDXEYCUMKD-UHFFFAOYSA-N 393.534 3.816 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCc1cccc(CN2CCCCC2)c1 224672254 LKZBUJYHLAEJII-UHFFFAOYSA-N 392.952 3.946 0 40 GHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222499818 IZTNQPKOGNQJDO-CQSZACIVSA-N 394.924 3.844 0 40 GHAB CN(C)c1nc(N2CCCCC2)ncc1NC(=O)Nc1ccc(F)c(Cl)c1 224146004 QIWMNNCKNKTYHP-UHFFFAOYSA-N 392.866 3.969 0 40 GHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC(n2cc(-c3ccccc3)nn2)C1 225663710 MTMXTFNSPRIDKZ-UHFFFAOYSA-N 386.377 3.590 0 40 GHAB O=C(Oc1ccccc1)N1CCN(C(=O)c2cc3ccccc3cc2O)CC1 40151738 DXWAISCQYSFZOW-UHFFFAOYSA-N 376.412 3.502 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C 224181125 RHRZVPLUNYGHBA-FQEVSTJZSA-N 382.504 3.626 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225299515 GVHYLRMLWYFGBX-HNNXBMFYSA-N 390.505 3.612 0 40 GHAB CSCC[C@@H](NC(=O)CCn1c(C)ccc1C)c1nc2ccccc2n1C 575444023 RFBYUVFLCQAKOT-GOSISDBHSA-N 384.549 3.992 0 40 GHAB S=C(Nc1nc(N2CCCCC2)cc(N2CCCC2)n1)NC1CCCCC1 226007633 QLIMSPXUZBAAAB-UHFFFAOYSA-N 388.585 3.686 0 40 GHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 222902467 YCRBORRVRGDNCE-HNNXBMFYSA-N 388.458 3.839 0 40 GHAB COC(=O)Cn1nnc(-c2ccccc2Oc2ccc(Cl)cc2Cl)n1 90514331 CDDMKRGWBLAAQH-UHFFFAOYSA-N 379.203 3.612 0 40 GHAB CN(C(=O)CCN[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1 96004753 XXWRUWGTPKPTDN-YFNKSVMNSA-N 391.559 3.930 0 40 GHAB COc1ccc(-c2[nH]nc(C)c2CC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 95472193 NOMMDGZPGTXWIF-OAQYLSRUSA-N 391.471 3.536 0 40 GHAB COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(OC)c(F)c3)n2)cc1 98212233 VDGWUWKKHJGZIB-KRWDZBQOSA-N 397.406 3.870 0 40 GHAB CC(=O)N1[C@@H]2CN(C(=O)c3ccc4ccccc4n3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257310770 UGMNDVHSJDPUON-XKPYVIEYSA-N 377.488 3.629 0 40 GHAB Cc1cc(OC2CN(C(=O)c3ccc(C(C)(C)C)cc3)C2)cc(=O)n1C1CC1 252497990 QTFINGJJFUDDNH-UHFFFAOYSA-N 380.488 3.693 0 40 GHAB Cc1cc(Nc2ccnc(CC3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)n2)[nH]n1 257224050 FACJKMJZWZXMEF-MQVJKMGUSA-N 398.511 3.972 0 40 GHAB Cc1nn(CCNS(=O)(=O)/C=C/c2ccccc2)c(C)c1-c1ccccc1 253473994 AQQDBYUPPSHVTM-DTQAZKPQSA-N 381.501 3.757 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)o2)cc1C 260492653 AHVMMSQYIZOQTK-ZOBUZTSGSA-N 387.505 3.662 0 40 GHAB O=C(Nc1cnn(CC2CC2)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 608251673 OUTXEZRYACHTNE-UHFFFAOYSA-N 386.253 3.698 0 40 GHAB CO[C@H]1CCC[C@H](CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(Cl)cc3)C2)C1 668286065 YVDGUUTZECRCJY-XDKFSHSGSA-N 379.884 3.562 0 40 GHAB O=C(CN1CCCC[C@H]1c1nc2ccccc2s1)NC(=O)NC1CCCC1 57315249 HZWAOTQUSGLCQM-INIZCTEOSA-N 386.521 3.592 0 40 GHAB O=C(CSc1cccc[n+]1[O-])Nc1ccccc1N1CCc2sccc2C1 84506039 ZFTMZEKQKSZCEX-UHFFFAOYSA-N 397.525 3.675 0 40 GHAB O=C(OCC1c2ccccc2-c2ccccc21)[C@@H]1Cc2ccccc2[C@H](C(=O)O)N1 95944448 ZCQLLVWEFAHPJL-XZOQPEGZSA-N 399.446 3.682 0 40 GHAB COc1ccccc1/C=C/[C@@]1(C(=O)NC2CCCC2)CC(=O)N1c1ccccc1 1380422 ULWPRFVIALPIKT-QDEBQFNMSA-N 390.483 3.943 0 40 GHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O 7078029 RHOVYLIDNYFEPU-XNFYSYIQSA-N 398.278 3.827 0 40 GHAB CCS(=O)(=O)N1CCCc2cc(C(=O)NC3CCCCCCC3)ccc21 13610552 WAGPBTIRKXHROE-UHFFFAOYSA-N 378.538 3.632 0 40 GHAB CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714562 HWVVERJXAHGGQH-SFHVURJKSA-N 398.956 3.891 0 40 GHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)C1 16016656 SDGNUFGUOMJXHD-SHQCLWGWSA-N 390.530 3.821 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccccc1C 16087431 VONQGTOOUIJCDB-LBPRGKRZSA-N 384.295 3.806 0 40 GHAB COc1ccc(NC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C)nc32)cc1 17077340 WAWIYPYNQGJRDA-UHFFFAOYSA-N 378.354 3.714 0 40 GHAB COc1cccc(C2=NO[C@H](C(=O)N3CCCCC[C@@H]3c3cc(C)no3)C2)c1 19120103 ZXQXTNZBHRGXBE-QUCCMNQESA-N 383.448 3.629 0 40 GHAB Cn1c(CNC(=O)CCn2c(C(F)F)cc3cccnc32)nc2ccccc21 19289957 LKPYEPWSAZWZJD-UHFFFAOYSA-N 383.402 3.567 0 40 GHAB CN(C)c1ccccc1C(=O)N1CCO[C@@H](c2cc3cc(F)ccc3cn2)C1 19585094 GEROXMKEHLYDJY-OAQYLSRUSA-N 379.435 3.654 0 40 GHAB Cn1c([C@H]2CCCN(C(=O)CCNc3ccc(Cl)cn3)C2)nc2ccccc21 19717060 UPNDYTZZTUTFJC-HNNXBMFYSA-N 397.910 3.830 0 40 GHAB CC(C)(CNC(=O)[C@]1(c2ccccc2)CNC(=O)C1)c1ccc2ccccc2c1 1132084064 DSEZUSCHKPRNLQ-VWLOTQADSA-N 386.495 3.692 0 40 GHAB CCCn1c(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)nc2ccccc21 18183633 SGMYZCQNFPGXQH-HNNXBMFYSA-N 392.459 3.589 0 40 GHAB CC[C@@H](NC(=O)CCn1cnc2sccc2c1=O)c1ccc(Cl)cc1 10423958 NCWDEEVUDOMQTQ-OAHLLOKOSA-N 375.881 3.769 0 40 GHAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(C)c(Cl)c2)c1 1889205595 YHIRAVOSGBJJGP-XYPWUTKMSA-N 379.913 3.710 0 40 GHAB S=c1[nH]c(/C=C/c2ccccc2)nn1CN1CCN(Cc2cccs2)CC1 22757347 YXAQWILMOOLPQQ-CMDGGOBGSA-N 397.573 3.948 0 40 GHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)o1 25670436 QHWVXWXKNFIZOJ-MRMKPGFVSA-N 378.425 3.566 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 238900912 RMCRNFCDDPOJMV-IAGOWNOFSA-N 383.835 3.755 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 2055803734 QCVMPZJQDQZJBE-SFHVURJKSA-N 392.837 3.508 0 40 GHAB C[C@H](NC(=O)C(=O)NCc1ccc(C(=O)c2ccsc2)s1)c1ccccc1 206681144 MEMCGTNCWGFTOY-ZDUSSCGKSA-N 398.509 3.534 0 40 GHAB CO[C@@H]1CCN(c2ccc(C(=O)NCc3cncc(-c4ccsc4)c3)cc2)C1 206948347 KQQOCJPQPQOOGZ-OAQYLSRUSA-N 393.512 3.965 0 40 GHAB Cc1cc(S(=O)(=O)N2CCC[C@H](c3ccn(C)n3)C2)c(Cl)cc1Cl 585389456 ABIRASFTSCKRDP-LBPRGKRZSA-N 388.320 3.604 0 40 GHAB COc1ccc(-c2nc(CN3CCN(C(=O)C[C@@H]4C=CCC4)CC3)cs2)cc1 30568712 HEVCSQUAKJVHBT-QGZVFWFLSA-N 397.544 3.819 0 40 GHAB Cc1nc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)sc1C 40141210 DSTPXXFXMRWBIJ-UHFFFAOYSA-N 386.498 3.986 0 40 GHAB COC(=O)/C=C/c1ccc(OCc2csc(-c3ccccn3)n2)c(OC)c1 31809131 LFZDPSDRDSBOAB-VQHVLOKHSA-N 382.441 3.979 0 40 GHAB COc1ccc(N(Cc2cccs2)C(=O)c2cccc(-n3cnnn3)c2)cc1 32678606 QHOOZMYZRZBCNJ-UHFFFAOYSA-N 391.456 3.579 0 40 GHAB COc1ccc(COC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1F 32837714 NVDHQFTWMKFVGY-UHFFFAOYSA-N 380.799 3.935 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)NCCc2nnc3ccccn23)cc1C 32905416 KNLGCEZFRXAZLW-UHFFFAOYSA-N 398.466 3.550 0 40 GHAB COc1ccc(CCN(C)S(=O)(=O)c2ccc(C)cc2Cl)cc1OC 32901253 FFMGCUKXMMSLKZ-UHFFFAOYSA-N 383.897 3.529 0 40 GHAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccccc1I 22389164 OOKJZLJIZVKHBU-UHFFFAOYSA-N 393.228 3.539 0 40 GHAB CC(=O)N[C@@H](CC(=O)n1ccc(C)c/c1=N\C1CCCCC1)c1cccs1 23199656 JIZDSIFIVGTYSW-FKNXBIFSSA-N 385.533 3.999 0 40 GHAB COc1ccc2c(C)c(CCC(=O)Nc3cccc([C@H](C)O)c3)c(=O)oc2c1 8879769 KUJUGMQFSKRHTE-AWEZNQCLSA-N 381.428 3.735 0 40 GHAB biogenic C[C@@H]1CCC[C@H](NC(=O)CN2CCC(C(=O)c3cc(F)ccc3F)CC2)[C@@H]1C 47797238 BUSAWCAGVPGSTE-SXGZJXTBSA-N 392.490 3.800 0 40 GHAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 790292 FTGZJZAYUHORBH-HXUWFJFHSA-N 394.446 3.797 0 40 GHAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(-n3cccn3)cc2)C(C)C)c1 24570901 LWYWHDFKWOPLJW-FQEVSTJZSA-N 376.460 3.574 0 40 GHAB CC1=C(C(=O)O[C@H]2CCC[C@@H]2C)[C@@H](c2ccc(Br)cc2)NC(=O)N1 823754 CUEQWSUTMGMXNL-JMPLFQLZSA-N 393.281 3.809 0 40 GHAB Cc1cc(C)c2cc(C)c3nnc(SCC(=O)Nc4nccs4)n3c2c1 877236 UIXOSFXXYXFWSU-UHFFFAOYSA-N 383.502 3.995 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(CNc2ccccc2)o1 905470 HTSQERUSLPZCCK-CQSZACIVSA-N 380.473 3.752 0 40 GHAB CNc1nc(SCC(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)nc2ccccc12 24600128 IZFBMIZCYNNSAQ-NSHDSACASA-N 398.454 3.953 0 40 GHAB Cc1nc(-c2c(-c3ccc4c(c3O)OCO4)nc(N)nc2C(F)(F)F)cs1 1084304 ILQZYSWAWSVUAQ-UHFFFAOYSA-N 396.350 3.611 0 40 GHAB COCCCn1c(SC[C@@H]2CCCOC2)nc2cc(Cl)ccc2c1=O 79109726 MVYLKFYLDCSXNS-CYBMUJFWSA-N 382.913 3.605 0 40 GHAB CCOP(=O)(OCC)C(NS(=O)(=O)c1ccccc1)=C(Cl)Cl 2686377 XAGCOOOASDXEEF-UHFFFAOYSA-N 388.209 3.835 0 40 GHAB COc1ccccc1S(=O)(=O)Cc1c(-c2ccccc2)nn(C)c1Cl 1388790 PFNXHAPNRYJOQH-UHFFFAOYSA-N 376.865 3.723 0 40 GHAB CCCCNC(=S)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O 4132203 DYUVCWNFFXUTKK-UHFFFAOYSA-N 399.516 3.807 0 40 GHAB CC(C)[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)NC(N)=O 4588392 WRKVRJDZZLLDLP-QGZVFWFLSA-N 398.463 3.748 0 40 GHAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)o1 4943118 MSBCKQOUAYBQLU-MISXGVKJSA-N 393.896 3.796 0 40 GHAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 6082005 SFHWMOSWZSEGPU-AWEZNQCLSA-N 396.472 3.598 0 40 GHAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 6635787 BZLYZMREXKUJIT-XBUHWIKASA-N 395.502 3.548 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2cc3occc3n2Cc2ccccc2)CC1 35474945 WXWYEJJUOSVQSI-UHFFFAOYSA-N 380.444 3.698 0 40 GHAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 8040659 QKRFMBMICMMXSR-UHFFFAOYSA-N 384.860 3.664 0 40 GHAB Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1CCc1ccccc1 8344524 IATILJJMNUTJGO-UHFFFAOYSA-N 381.505 3.644 0 40 GHAB CSc1nc2ccsc2c(=O)n1CC(=O)Nc1c(C)cccc1Cl 57505160 ZDZYICXVAAPYQU-UHFFFAOYSA-N 379.894 3.780 0 40 GHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 12584311 PUSXLGUWMXMWAT-UHFFFAOYSA-N 389.377 3.826 0 40 GHAB C[C@H](NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 106372267 GVCUWJSJZOUHHD-FXAWDEMLSA-N 398.503 3.974 0 40 GHAB CC(C)(C)OC(=O)c1c(N)n(-c2ccc(O)cc2)c2nc3ccccc3nc12 2246261 UISIMRJKIFHCGO-UHFFFAOYSA-N 376.416 3.817 0 40 GHAB COC(=O)[C@@H](C)Sc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 2255893 TUFHWQJQBXBSEO-MRVPVSSYSA-N 384.548 3.918 0 40 GHAB CCOC(=O)c1ccccc1C(=O)c1ccccc1I 2392600 ZBNPHGXPVZYRES-UHFFFAOYSA-N 380.181 3.699 0 40 GHAB Cc1cc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)no1 2627910 XJHDHGYFWLAXDF-UHFFFAOYSA-N 384.248 3.806 0 40 GHAB O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)N1CCOCC1 12139007 XAFMFPVOESVHEK-UHFFFAOYSA-N 391.496 3.762 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1Cl 12738859 QHXNLIUWPMYUST-CYBMUJFWSA-N 375.787 3.502 0 40 GHAB O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(Cc2ccccc2)C1 3349203 NBEOSAFVNPGHAS-OAHLLOKOSA-N 377.271 3.658 0 40 GHAB Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1Cc1cccs1 3378548 BTKUTTIXXHWQDD-UHFFFAOYSA-N 399.516 3.652 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 3349501 OLPHDRPNYZLDTA-DHZHZOJOSA-N 380.488 3.683 0 40 GHAB CSc1ncc(Cl)c(C(=O)N2CCC(OCc3ccccc3)CC2)n1 48312754 WWKXLFQZTCIFPT-UHFFFAOYSA-N 377.897 3.673 0 40 GHAB O=C(Nc1ccc(Nc2ccccc2)nc1)C1CCN(C(=O)N2CCCC2)CC1 84553455 LGZRJVRVWHPSPM-UHFFFAOYSA-N 393.491 3.692 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2cccnc2)o1 3422324 NYNQSMVVTARVEW-UHFFFAOYSA-N 390.852 3.833 0 40 GHAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2sc3ccccc3c2Cl)C1=O 13100248 NYNUNUMBWSZEIB-LJQANCHMSA-N 399.859 3.667 0 40 GHAB COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(F)cc3)c(C)c2oc1=O 4043533 PPRDUFMOEPWFMG-UHFFFAOYSA-N 398.386 3.526 0 40 GHAB biogenic CC(C)CCNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 4084530 FGAZKNHZUPTQHS-UNMCSNQZSA-N 387.483 3.800 0 40 GHAB biogenic CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccccc4)s3)CC2=O)cc1 9197937 BXJYHOUFKFBJOH-INIZCTEOSA-N 392.484 3.873 0 40 GHAB Cn1c(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)nc2ccccc21 49574128 FPFIKHBFJABZGK-UHFFFAOYSA-N 379.391 3.814 0 40 GHAB Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C3=CCCCC3)n2)cc1 5086847 DVSYJLMPJRRTRO-UHFFFAOYSA-N 377.448 3.728 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 9237237 QQLTZVPOVWVYOW-OALUTQOASA-N 393.516 3.910 0 40 GHAB COc1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc(OC)c1OC 4554758 LWNINVWJAKUFKI-UHFFFAOYSA-N 384.476 3.951 0 40 GHAB Cc1ccc(S(=O)(=O)NCCCn2nc(C(F)(F)F)c(Cl)c2C)cc1 14247488 DJENYUCHLMQNFW-UHFFFAOYSA-N 395.834 3.541 0 40 GHAB CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(CN2CCc3sccc3C2)C1=O 14309548 URWYVSJCJFMIRZ-IBGZPJMESA-N 389.908 3.574 0 40 GHAB COc1ccc([C@@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3C2)cc1OC 4777152 GFHAFFBZMORLOE-INMHGKMJSA-N 395.503 3.889 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2)cc1 6784502 FKNZLBHFGSNHRC-MAUBAPBLSA-N 386.517 3.608 0 40 GHAB COC(=O)c1c(COC(=O)c2n[nH]c3ccccc23)nc2ccccc2c1C 6927982 ITJVCHQAFDBBCH-UHFFFAOYSA-N 375.384 3.563 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccnc2)n1CC(C)C 72191582 UPSJQPCNQALIQT-UHFFFAOYSA-N 397.504 3.736 0 40 GHAB CCOc1ccccc1OCc1nn2c(-c3ccc(N(C)C)cc3)nnc2s1 4938749 UHWNBSKCRDERQQ-UHFFFAOYSA-N 395.488 3.897 0 40 GHAB C[C@H]1CN(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)C[C@@H](C)O1 7035969 HJSUDDTUCLPKEU-GASCZTMLSA-N 387.863 3.586 0 40 GHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCCCOC1CCCCC1 7118788 ZLJZELRIAIWMDB-UHFFFAOYSA-N 383.414 3.911 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 7171379 AJVOEVBUSGALQZ-KWJFTMPMSA-N 396.487 3.510 0 40 GHAB COc1cccc(CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)c1 72284132 BEPCMUHEXMUANF-UHFFFAOYSA-N 387.789 3.881 0 40 GHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1cccnc1Cl 7479760 JMPOJVUGPXAULK-LLVKDONJSA-N 399.278 3.733 0 40 GHAB Cc1cccc(COc2ccc(/C=C3/NC(=O)NC3=O)cc2Br)c1 409049705 XWVKZKXLZBDZQH-OQLLNIDSSA-N 387.233 3.517 0 40 GHAB CCN1CCN([C@@H](c2cccnc2)c2c(NC(C)=O)sc3c2CCCC3)CC1 19880772 SGOFAYFZLIWVFJ-NRFANRHFSA-N 398.576 3.707 0 40 GHAB Cc1sc2ncnc(Sc3ccccc3C(=O)N3CCOCC3)c2c1C 7736565 DGSMNGZSURZTBE-UHFFFAOYSA-N 385.514 3.932 0 40 GHAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 16111135 VVTIIRDHTRRIKL-UHFFFAOYSA-N 390.842 3.653 0 40 GHAB CCOc1ccc(NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)cc1OC 7990411 WMTQUDLDCZSYDS-UHFFFAOYSA-N 381.432 3.524 0 40 GHAB Cc1ccc2c(c1)CCCN2[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C 7906428 NTZNLJGKPMEXAS-SFHVURJKSA-N 379.504 3.508 0 40 GHAB O=C(CSc1ncc(-c2ccc(Br)cc2)[nH]1)NCc1ccco1 8135933 ZESLWMGVNZPICU-UHFFFAOYSA-N 392.278 3.841 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)Cc2csc(-c3cccs3)n2)c1C 18044438 XBBZVXBUJPCTDM-UHFFFAOYSA-N 385.514 3.786 0 40 GHAB Cc1ccc(S(=O)(=O)NC2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)cc1 27698478 ADLHRKBLOSNXDY-SEJPIABJSA-N 384.545 3.511 0 40 GHAB C[C@H](CCc1ccco1)NC(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 95959336 QURLGALFNUJBHQ-QGZVFWFLSA-N 385.464 3.517 0 40 GHAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 20460047 NRJUIAPLGKQCOC-HXUWFJFHSA-N 388.533 3.990 0 40 GHAB Cc1ccc(N(CCCC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1 408679607 OLXKXZPAPFMLRU-UHFFFAOYSA-N 380.897 3.833 0 40 GHAB Cc1cc2nc(SCC(=O)NCCC3=CCCCC3)n(C(C)C)c(=O)c2[nH]1 67235909 WEQOEJDOFPDGRH-UHFFFAOYSA-N 388.537 3.713 0 40 GHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 408561560 JQMQLYSNVFGABT-UHFFFAOYSA-N 375.494 3.978 0 40 GHAB Cc1nn(C)c(C)c1[C@@H](C)c1nc([C@@H]2CN(Cc3ccccc3)[C@@H](C)CO2)no1 547227254 GVKOHHQHQFXKEA-KHYOSLBOSA-N 395.507 3.534 0 40 GHAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc3c(cc2C)OCO3)S1 408816682 RZTQCDWEJKOGGF-UHFFFAOYSA-N 383.449 3.804 0 40 GHAB COCCCN1C(=O)S/C(=C/c2ccc(OC)c(Br)c2)C1=O 409241162 RSQAIRQQSBPBIU-UKTHLTGXSA-N 386.267 3.531 0 40 GHAB Cc1cc(C(=O)N2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c(C)o1 306133532 MOIMJRRLEQJKMN-GOSISDBHSA-N 387.443 3.631 0 40 GHAB CCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)c(C)c1 218817028 SQZBKOVYNPZGOK-UHFFFAOYSA-N 392.249 3.952 0 40 GHAB Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1C 408553842 QSYAGOFIYPVUNC-INIZCTEOSA-N 382.485 3.762 0 40 GHAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1c(C)cc(C)n(CC(C)C)c1=O)CC2 524733572 WGJJSXCATIJTAG-SFHVURJKSA-N 398.503 3.556 0 40 GHAB Cc1nc2c(nnn2Cc2ccccc2Cl)c2nnc(-c3ccc(F)cc3)n12 35314878 QOKZABNNAUWRCG-UHFFFAOYSA-N 393.813 3.685 0 40 GHAB COc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 219681989 PONLLEALOAGUFF-AWEZNQCLSA-N 392.293 3.974 0 40 GHAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1C(F)(F)F 70762362 HBEKSZMTTKHRQW-HNNXBMFYSA-N 377.284 3.885 0 40 GHAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc(S(C)(=O)=O)cc1 219074675 QCNSQNHCXUKZFX-VQIMIIECSA-N 389.517 3.742 0 40 GHAB CC(=O)N1CCC(N2CCC[C@H]2c2cccc(Cc3ccc(F)cc3)n2)CC1 72358189 WCYFBJSCFZCCCG-QHCPKHFHSA-N 381.495 3.959 0 40 GHAB c1cncc(CNc2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)c1 72339493 YHUXCIMPBUQYJB-UHFFFAOYSA-N 383.411 3.941 0 40 GHAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3cccnc3)C2)cc1 72345956 YUXJZTQNZYHRKH-GOSISDBHSA-N 375.476 3.509 0 40 GHAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)c(C)c1 224551661 JOHRAGBZNNNRST-UHFFFAOYSA-N 384.495 3.850 0 40 GHAB Cc1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(Cl)cc1 42646383 FZCSDGXZGYQZCK-UHFFFAOYSA-N 381.657 3.666 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(OC)cc1 225123250 GVTZYQBJIZUJSF-RTBURBONSA-N 396.531 3.878 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(CN2CCOCC2)cc1 224573040 GNJRMHYOQDGISI-JOCHJYFZSA-N 396.531 3.609 0 40 GHAB Cc1ccc(CNC(=S)Nc2nc(C)cc(Sc3ncccn3)n2)cc1 225946151 BSPICRYMTKKLGF-UHFFFAOYSA-N 382.518 3.521 0 40 GHAB O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N(Cc1ccccn1)C1CC1 47841685 GZGPGIZWOJHSFH-UHFFFAOYSA-N 385.773 3.876 0 40 GHAB CCOc1ccccc1CCCNC(=S)Nc1ccc(C(=O)N(C)C)cc1 225398227 KOLSYELWDMCASL-UHFFFAOYSA-N 385.533 3.706 0 40 GHAB CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 47156233 KVKXFIDIMHJMQO-UHFFFAOYSA-N 380.469 3.760 0 40 GHAB O=C(Nc1cc(F)c(F)c(F)c1)c1cc(=O)c(OCc2ccccc2)co1 40267167 YKLLJOKENMDKMB-UHFFFAOYSA-N 375.302 3.888 0 40 GHAB Fc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCCCC3)n2)cc1 225949569 VIYDQRWYIHQHTQ-UHFFFAOYSA-N 379.892 3.746 0 40 GHAB CCN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 225933393 GQCFDLRURPNBJX-UHFFFAOYSA-N 380.897 3.606 0 40 GHAB Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 224295853 VGJUBCSHYRJGBR-UHFFFAOYSA-N 398.488 3.753 0 40 GHAB Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1N(C)S(C)(=O)=O 222448348 GXQFIRWURPVZSD-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)c2cccs2)c2ccccc2O1 222955437 KZYBOLKZXHBTIZ-IBGZPJMESA-N 392.480 3.515 0 40 GHAB Cc1ccnc(-c2ccc(NC(=O)N(C)[C@H]3CCO[C@@H]3c3cccnc3)cc2)n1 572946352 OHBLYLFZAZWNOO-VQTJNVASSA-N 389.459 3.841 0 40 GHAB COc1cc(OC)c([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222563063 CWWOLTCZDYNEBW-YXKWSERDSA-N 385.489 3.697 0 40 GHAB CCOC(=O)c1ccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 95830607 OHTLVKDBACKIFE-UHFFFAOYSA-N 393.480 3.898 0 40 GHAB FC(F)Oc1ccc(CN2CC[C@]3(CCCNC3)C2)cc1Br 583381416 KFAGQYKMGZITOR-INIZCTEOSA-N 375.257 3.626 0 40 GHAB Cc1c[nH]c(-c2cc([C@H]3CCCCN3C(=O)c3scnc3C)nc(C)n2)n1 257340836 ZHRURIDUYNDOIW-MRXNPFEDSA-N 382.493 3.616 0 40 GHAB C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)C1 253589823 ACHZRINMTVBHMB-HBKNYZLJSA-N 381.520 3.623 0 40 GHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cs1 26884171 UXRAYXQTJVZJCQ-KRWDZBQOSA-N 395.528 3.799 0 40 GHAB CCCCn1ncc(C(=O)N(C)[C@H]2CCCN(C(=O)CC(C)(C)C)C2)c1CC 1615610733 GRQPHRYUAUJHDG-KRWDZBQOSA-N 390.572 3.745 0 40 GHAB COc1cccc(CN(Cc2ccncc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)c1 72395067 VGSBXGJTUTYAIM-NFBKMPQASA-N 393.487 3.647 0 40 GHAB CCOC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1C 59932797 MYHPTDMBNCUMNV-ZDUSSCGKSA-N 385.420 3.731 0 40 GHAB COc1cc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)ccc1NC(C)=O 78975221 WACGPMRSFXQTDB-QUCCMNQESA-N 397.475 3.774 0 40 GHAB Cc1csc(-c2ccc(C(=O)Nc3ccc(CN4CCOCC4)cn3)cc2)n1 95976291 WBTVYYDBHQHYHN-UHFFFAOYSA-N 394.500 3.598 0 40 GHAB Cc1ccc([C@@H]2CN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CCO2)cc1 585259737 NKOIFZSHHGBGDQ-SFHVURJKSA-N 399.434 3.917 0 40 GHAB O=C(NCc1ccc(F)cc1)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772595952 VGWHPIOPPQUKHP-URVUXULASA-N 380.463 3.534 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)o2)c(OC)c1 5391994 VHKHBQYICXDJAE-UHFFFAOYSA-N 389.408 3.624 0 40 GHAB COc1cccc(N2CCCN(C(=O)c3ccc4nc(C)sc4c3)CC2)c1 12148674 OBKGALHCTJPFRF-UHFFFAOYSA-N 381.501 3.966 0 40 GHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc(Cl)c3)ccc21 13584022 NVXSATVNWZCTBE-UHFFFAOYSA-N 378.881 3.695 0 40 GHAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1 15670018 KCXDJNVKSBFHHY-UHFFFAOYSA-N 379.416 3.909 0 40 GHAB C[C@H](Cc1ccccn1)N(C)C(=O)c1cc(-c2ccncc2)c2cnccc2n1 19456936 RHZPOZYTHBQTKV-MRXNPFEDSA-N 383.455 3.790 0 40 GHAB COc1ccc(C2(CNC(=O)CCc3[nH]nc4c3CCCC4)CCCC2)cc1 19553775 DZAPIWKSRIENAS-UHFFFAOYSA-N 381.520 3.858 0 40 GHAB COc1ccc2cc(CN(Cc3ccccn3)C[C@@H]3CCCO3)c(OC)nc2c1 19563955 LARWAHGOTJDGIW-NRFANRHFSA-N 393.487 3.828 0 40 GHAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)c2)n1 19718334 DDFWVLIGMPTHQW-LBPRGKRZSA-N 399.926 3.854 0 40 GHAB Cc1sc(NC(=O)Cc2ccccc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 19796437 QATWELOBDJSAQN-UHFFFAOYSA-N 393.468 3.655 0 40 GHAB NC(=O)[C@]1(c2ccccn2)CCCN1Cc1cccc(OCc2ccccc2)c1 618016912 INCFLBPEPPMFOF-XMMPIXPASA-N 387.483 3.637 0 40 GHAB O=C1C(=O)N(c2cccnc2)[C@H](c2ccccc2Cl)[C@@H]1C(=O)c1ccccc1 245015204 LQLIFPNCYWJSQV-RTBURBONSA-N 390.826 3.891 0 40 GHAB COc1ccc(Br)cc1-c1nc(Cn2cc(C3CC3)nn2)c(C)o1 2087038507 IJHMYXAAAMQNEA-UHFFFAOYSA-N 389.253 3.938 0 40 GHAB Cc1nc(C(=O)N2CCC3(CC[C@@H]3NC(=O)CCc3ccccc3)CC2)cs1 1565553647 GTLYPFWJGLWGAR-IBGZPJMESA-N 397.544 3.585 0 40 GHAB Cc1ncnc(OCC2CCN(C(=O)c3ccc4ncsc4c3)CC2)c1C 1565523666 WWYNQKVSAYBBDY-UHFFFAOYSA-N 382.489 3.634 0 40 GHAB C[C@H]1CCc2sc(NC(=O)c3cccc(Br)c3)c(C(N)=O)c2C1 4071890 AYLJVOASCMIIQX-VIFPVBQESA-N 393.306 3.987 0 40 GHAB Cc1cccc(N2C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 4393674 LTFHTZINTPCJPH-ZWKOTPCHSA-N 390.892 3.569 0 40 GHAB CCc1cccc2sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12 4325798 AJNADANKHLCFNY-UHFFFAOYSA-N 379.441 3.764 0 40 GHAB O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)Oc1ccccc1 4519206 ZELFCBOCZKXZEI-SFHVURJKSA-N 389.404 3.722 0 40 GHAB O=C(NC[C@H]1COC2(CCCCC2)O1)c1cc(Br)ccc1Cl 10220430 SIPMUJYDEDCYGA-LBPRGKRZSA-N 388.689 3.908 0 40 GHAB O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)Nc1nccs1 11834911 AJHBIXHAFPXHLE-UHFFFAOYSA-N 376.438 3.562 0 40 GHAB Cc1ccccc1-c1cc(CC2(C(=O)O)CCN(C(=O)CC(C)C)CC2)on1 12366488 GBMJHCOOFCGJMZ-UHFFFAOYSA-N 384.476 3.932 0 40 GHAB O=C(NC[C@H]1CCCCN1Cc1nc(-c2ccccc2)no1)Nc1ccccc1 30590197 RTWRKPWTYQXISK-LJQANCHMSA-N 391.475 3.913 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1c[nH]c(=S)n1-c1ccccc1)CC2 31035021 CPSIJULPJBUSAH-UHFFFAOYSA-N 395.484 3.751 0 40 GHAB CCOC(=O)[C@H](NC(=O)[C@H]1CC=CCC1)c1c(C)nn(-c2ccccc2)c1C 32740932 ZWEDKYNCEUPFPA-FXAWDEMLSA-N 381.476 3.566 0 40 GHAB CN1CCN(CCCNC(=O)c2cc3ccccc3o2)[C@@H](c2ccccc2)C1 32818680 NXPGIFTXGOATOS-HXUWFJFHSA-N 377.488 3.541 0 40 GHAB O=C(C1CCCC1)N1CCCN(c2nc(C(F)(F)F)nc3ccsc23)CC1 32922292 GRDDBECHLHUQTA-UHFFFAOYSA-N 398.454 3.939 0 40 GHAB Cc1ccc(NC(=O)C2CCN(C(=O)NC(C)C)CC2)c(Br)c1 32913025 HDHIXJIGEWGKQN-UHFFFAOYSA-N 382.302 3.526 0 40 GHAB COc1ccc(-c2csc(NC(=O)CN3C[C@@H](C)C[C@H](C)C3)n2)c(OC)c1 23054863 ZUAVLIJIFIXPQA-KBPBESRZSA-N 389.521 3.744 0 40 GHAB O=C(NCCc1ccc2ccccc2c1)[C@@H](c1ccccc1)N1CCC(O)CC1 104847738 MPZYOYKYBBJEKZ-XMMPIXPASA-N 388.511 3.697 0 40 GHAB COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 627659 CBZQLWBOIFBSOQ-SJORKVTESA-N 394.427 3.553 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccccc2)n1C 894339 DNMJXTWMPSVSLG-UHFFFAOYSA-N 382.489 3.687 0 40 GHAB O=C(c1ccc(Cl)cc1)c1nn2c(nc(=O)c3ccc(Cl)cc32)s1 958647 UGKGRYDZYMDUFC-UHFFFAOYSA-N 376.224 3.842 0 40 GHAB CCc1ccc2c(c1)c1nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nc1n2C 1366170 XXYINPRZQUYFMZ-KBPBESRZSA-N 397.548 3.961 0 40 GHAB COc1ccc2c(c1)c(C(=O)COc1ccc3ccc(=O)oc3c1)c(C)n2C 2093945 XJXWUGFANCPNBN-UHFFFAOYSA-N 377.396 3.863 0 40 GHAB biogenic CC(=O)c1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3482189 AXWUWYJCASXXKH-UHFFFAOYSA-N 388.423 3.722 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 3578868 PNEWANHXRSKTJI-UHFFFAOYSA-N 378.469 3.517 0 40 GHAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)COc3ccc(Cl)cc3)cc12 4032899 RVLDVQBEGOLHLO-UHFFFAOYSA-N 384.863 3.536 0 40 GHAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2ncnc3c2[nH]c2ccc(Cl)cc23)C1 4038474 XDQAALVUSWITTP-QWHCGFSZSA-N 391.862 3.550 0 40 GHAB biogenic CCC(CC)C(=O)Nc1nnc(SCC(=O)Nc2cccc(C)c2)s1 4086552 QKOSWODRJTZDGO-UHFFFAOYSA-N 378.523 3.952 0 40 GHAB CSc1ccccc1C(=O)Oc1coc(CSc2nccn2C)cc1=O 4251374 CMDUPYZZAKNFCA-UHFFFAOYSA-N 388.470 3.607 0 40 GHAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1)C(C(=O)OC)=C(C)N2 4292254 IYKGCVIUZUCDBZ-OAHLLOKOSA-N 385.489 3.585 0 40 GHAB O=C1C[C@@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]21 4664343 ZJSYXKOHRTZXIW-VDHUWJSZSA-N 386.234 3.953 0 40 GHAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc2c(c1)OCO2 4816265 GYSKQNPRGQERHW-UHFFFAOYSA-N 388.836 3.585 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3c(CC)cccc3CC)ccc21 4884510 UJMHBSYLBPXHKN-UHFFFAOYSA-N 386.517 3.911 0 40 GHAB COc1cc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)[nH]c2cc1OC 5346027 PUDWUZPIAHDCQP-UHFFFAOYSA-N 393.487 3.580 0 40 GHAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(N(C)C)c1 5402991 JVQDPZJJTPRELF-UHFFFAOYSA-N 391.265 3.619 0 40 GHAB CCOC(=O)c1c(NC(C)=O)n(Cc2ccccc2)c2nc3ccccc3nc12 5461044 ILUOWJQHHWJGQF-UHFFFAOYSA-N 388.427 3.768 0 40 GHAB C[C@@H]1Cc2ccccc2N1CCS(=O)(=O)c1ccc(Br)cc1 5638217 DIPYRIIQRQEHTB-CYBMUJFWSA-N 380.307 3.674 0 40 GHAB Cc1cc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc2n1 6527767 WILFTOGOEQGNKL-UHFFFAOYSA-N 386.354 3.940 0 40 GHAB CN1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc21 6662154 NBKNXYHLQGKMFX-HXUWFJFHSA-N 395.462 3.748 0 40 GHAB CCNc1c(NS(=O)(=O)c2ccc(Cl)cc2)c(=O)oc2ccccc12 6784684 CYTWXBWAANEDEW-UHFFFAOYSA-N 378.837 3.679 0 40 GHAB COc1ccccc1-n1c(SC[C@H]2CCCCO2)nnc1N1CCCCC1 6994150 NHGCGTSKFVTTMC-MRXNPFEDSA-N 388.537 3.927 0 40 GHAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 7057943 VMVWTADVFMEMNE-JKSUJKDBSA-N 383.492 3.592 0 40 GHAB COc1cccc(-n2cnnc2S[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 7371297 BWOAXTIIVBJTPW-CQSZACIVSA-N 398.488 3.787 0 40 GHAB COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(C)c1 7408875 XOUZWZIVVLLZJT-UHFFFAOYSA-N 394.393 3.741 0 40 GHAB C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 7608599 YTXSIKIZKKWRNG-AWEZNQCLSA-N 392.908 3.616 0 40 GHAB C[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccc2c(c1)CCCC2 7833532 UGKUYAUWLAYEHA-OAHLLOKOSA-N 377.440 3.928 0 40 GHAB CC(C)Cn1nccc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 8074561 OKVZKWSECWOBQT-UHFFFAOYSA-N 377.444 3.788 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(C)c(F)c2)c1C 8259882 JJOLFLXPANVKGN-CYBMUJFWSA-N 375.396 3.684 0 40 GHAB Cc1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(C)n1C1CC1 8341745 UPABALFQLZQSSX-UHFFFAOYSA-N 378.476 3.560 0 40 GHAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8514296 ZVGNAPQTERKHEB-QGZVFWFLSA-N 377.437 3.513 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc(F)c(F)c1 8519623 AIYHJHLDIOFFKG-UHFFFAOYSA-N 391.443 3.588 0 40 GHAB CC(=O)Oc1ccc2c(c1)O[C@H](c1ccccc1)C[C@]21CC(C)(C)NC(=S)N1 8578807 AYSYGLFCZRLLKZ-UGKGYDQZSA-N 396.512 3.977 0 40 GHAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 9237232 QQLTZVPOVWVYOW-RTBURBONSA-N 393.516 3.910 0 40 GHAB Cc1ccc(N2C[C@H](c3nc(-c4ccc(N(C)C)cc4)no3)CC2=O)cc1F 9320967 YHOFVOIYAPNIIR-OAHLLOKOSA-N 380.423 3.771 0 40 GHAB O=C(CCSc1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)OCO3)o1 9701599 IGFATWGXRYMCFG-UHFFFAOYSA-N 387.392 3.725 0 40 GHAB O=C(Nn1cnc2ccccc21)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 10301119 GYFAJHKWZFNIDL-OAQYLSRUSA-N 383.407 3.874 0 40 GHAB COc1cccc(C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)c1OC 10330413 YCZRTGVEOHCJBI-FQEVSTJZSA-N 378.472 3.890 0 40 GHAB Cc1nc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccccc3F)o2)cs1 11105051 HKFODIRYEOSPSG-VIFPVBQESA-N 378.454 3.684 0 40 GHAB Cc1sc(NC(=O)Cc2ccccc2)nc1-c1ccc2c(c1)NC(=O)CO2 11904315 UZIHPFHAWAESET-UHFFFAOYSA-N 379.441 3.631 0 40 GHAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(Oc4cccnc4)cc3)ccc2N1 12143859 AIYDZKWHEKBPBD-UHFFFAOYSA-N 395.440 3.559 0 40 GHAB Cn1nc([C@@H]2CCCN(C(=O)c3nsc(Cl)c3Cl)C2)c2cccnc21 12253726 XMFXBKPMGFCPIN-SECBINFHSA-N 396.303 3.751 0 40 GHAB COc1ccccc1[C@@]1(O)CCCN(C(=O)c2cccc3c(C)c(C)[nH]c23)C1 12290462 ZFXYOHMOMYOEKO-HSZRJFAPSA-N 378.472 3.917 0 40 GHAB Cc1ccc(CC(=O)N[C@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)cc1 12337186 OQMANBPBZBXQFB-GBXCKJPGSA-N 392.499 3.559 0 40 GHAB CCOc1ccccc1-n1nnnc1S[C@@H](C(=O)Nc1ccccc1)C(C)C 12721504 WZXDGMBUPKFMBC-GOSISDBHSA-N 397.504 3.816 0 40 GHAB Cc1nc2cc(NC(=O)c3cccc(I)c3)ccc2o1 12740846 XHFKPOLPXQPWTB-UHFFFAOYSA-N 378.169 3.993 0 40 GHAB O=C(Nc1c(F)cc(F)cc1Br)[C@@H]1CC(c2ccccc2O)=NO1 12846307 ZEWJIHOFKLTJDF-AWEZNQCLSA-N 397.175 3.565 0 40 GHAB Cc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12926986 OJZDJXPZTAJJBC-UHFFFAOYSA-N 386.517 3.741 0 40 GHAB CCOC(=O)c1ccsc1NC(=O)CN1CCC[C@@H]1c1ccc(OC)cc1 13010582 JDDXWMJESCEDCY-QGZVFWFLSA-N 388.489 3.709 0 40 GHAB C[C@H]1CN(CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)C[C@@H](C)O1 13591614 MXIMKLDOCOJDRJ-IYBDPMFKSA-N 392.455 3.508 0 40 GHAB CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3ccc(C)cc3C=C[C@H]21 13655471 QXDMQYKEMQIMIQ-IYWMVGAKSA-N 394.515 3.596 0 40 GHAB O=C(CCCc1c[nH]c2ccccc12)NCCNC(=O)c1cc2ccccc2[nH]1 13733106 MGHNDIIGEWNFLC-UHFFFAOYSA-N 388.471 3.518 0 40 GHAB CCNC(=O)NC1=Nc2ccccc2N=C(C)[C@H]1c1ccc(OC)c(OC)c1 14608052 BKNPSSZGQJLAQP-IBGZPJMESA-N 380.448 3.943 0 40 GHAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc21 15332778 PRVGVBZZQHWCHQ-HNNXBMFYSA-N 398.528 3.514 0 40 GHAB O=C(c1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1)N1CCCCC1 15362299 QMGPPRPLIHNILU-UHFFFAOYSA-N 398.937 3.506 0 40 GHAB CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 16043667 CVPHUUNMLTVVFX-UHFFFAOYSA-N 378.428 3.621 0 40 GHAB CCN(CC)C(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1 17287438 LGITYHYZVBMAIF-UHFFFAOYSA-N 396.516 3.687 0 40 GHAB COc1cccc(CN[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c1 19285348 NNXPPIQWAISCQR-HXUWFJFHSA-N 383.879 3.814 0 40 GHAB COc1ccccc1CN1CCC[C@H]([C@@H](NC(=O)C2CC2)c2ccccn2)C1 19570209 AOBDGEUISKTNJI-SIKLNZKXSA-N 379.504 3.570 0 40 GHAB O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1ccc(Cl)cc1 19958961 LBMQTPNVYOVWNA-UHFFFAOYSA-N 388.858 3.997 0 40 GHAB CC[C@@H](NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(C)cc1 20041445 IIWKOPJXEJKGSP-LJQANCHMSA-N 388.533 3.645 0 40 GHAB Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccccc3O)[nH]c(=O)c2c1C 22024215 UOQFNYOZXCEYRL-LLVKDONJSA-N 389.502 3.567 0 40 GHAB CCOc1ccc(-c2nsc(NC(=O)COc3ccccc3C)n2)cc1OC 27994890 ZTUPBUMPCBBWJV-UHFFFAOYSA-N 399.472 3.938 0 40 GHAB CCc1ccc([C@@H](CNC(=O)COc2ccc(OC)cc2)N2CCCCC2)cc1 28293415 SGVQGWAQZIIGRE-HSZRJFAPSA-N 396.531 3.980 0 40 GHAB CCOc1ccc(OCC)c(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1 28307160 NDAAJZODMFFTTB-UHFFFAOYSA-N 399.443 3.857 0 40 GHAB COc1ccc([C@H](C)NC(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1F 30991918 DJACQFGMXOPUAG-AWEZNQCLSA-N 387.455 3.989 0 40 GHAB COc1ccc(OC)c([C@H](O)CNC(=O)c2cc3c(F)cccc3s2)c1 31339944 HXCGBUUGMUETRY-OAHLLOKOSA-N 375.421 3.521 0 40 GHAB Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c(C)s1 31754643 OSMSGEDWUHXRIK-UHFFFAOYSA-N 396.559 3.519 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)ccc2[nH]1 32465942 VAFIQOLFSHSCEU-UHFFFAOYSA-N 392.459 3.763 0 40 GHAB Cc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(C(=O)O)c3)sc2c1 32611688 IEJDVDGDIRQPRK-UHFFFAOYSA-N 382.850 3.757 0 40 GHAB Cc1ccc(-c2noc(CCNC(=O)[C@H](C)Oc3cccc(C)c3C)n2)cc1 32623914 KISKHCIFTZIPJV-KRWDZBQOSA-N 379.460 3.788 0 40 GHAB O=C(Cn1ncc2ccccc2c1=O)Nc1nc(-c2ccc(Cl)cc2)cs1 32764408 UKVONTDVGBLUNG-UHFFFAOYSA-N 396.859 3.812 0 40 GHAB CC(C)(C)c1nc2cc(NC(=O)c3cccc(CS(C)(=O)=O)c3)ccc2o1 32818750 NXWPRGASPIIUMJ-UHFFFAOYSA-N 386.473 3.922 0 40 GHAB C[C@H]1CN(Cc2ccc(Cn3c(=S)[nH]c4ccccc4c3=O)cc2)C[C@@H](C)O1 32831168 CZELOAXRGWFFPW-IYBDPMFKSA-N 395.528 3.717 0 40 GHAB CSCC[C@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1nc2ccccc2[nH]1 32990900 BPZSKSMRKUXRCA-ROUUACIJSA-N 395.484 3.775 0 40 GHAB COc1ccc2[nH]c(C)c(C(=O)CN3CCN(c4ccc(F)cc4)CC3)c2c1 36007036 GUPDHRWCGKVNBA-UHFFFAOYSA-N 381.451 3.629 0 40 GHAB CCSc1nc2ncc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3n2n1 38783759 GXQWAHLPFIXDNK-UHFFFAOYSA-N 392.271 3.847 0 40 GHAB CCC[C@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 40097172 SMPNXXDBDDIFCT-SFHVURJKSA-N 375.494 3.600 0 40 GHAB Cn1nc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c2ccccc2c1=O 40117342 ALBNSYWAABDXHE-IBGZPJMESA-N 379.435 3.734 0 40 GHAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@@H]2C(=O)Nc1ccccc1 44891183 TZDWRBYBYARTEX-QGZVFWFLSA-N 376.416 3.868 0 40 GHAB COc1ccc(CSCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 44901174 NFPORIYQBVYHNF-CQSZACIVSA-N 375.490 3.823 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 48064988 XIDPZPRGGZZYIA-JLHYYAGUSA-N 379.460 3.617 0 40 GHAB Cc1nnc([C@H](C)Sc2nnc(CN3CCCCC3)n2Cc2ccccc2)o1 48186714 XBCSKBXTRDWQMY-HNNXBMFYSA-N 398.536 3.857 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)N(C2CC2)[C@@H](C)C(C)C)cs1 48275889 NLICXHSMSIFCPD-LBPRGKRZSA-N 375.494 3.875 0 40 GHAB COC(=O)c1cn(CC(=O)N[C@@H](C)Cc2ccccc2Cl)c2ccccc12 48287310 PXLHIPWCEVQLIV-AWEZNQCLSA-N 384.863 3.829 0 40 GHAB CC(C)OCc1cccc(CNC(=O)CCCn2c(=O)oc3ccccc32)c1 48354718 PIMKPVQLILCVQF-UHFFFAOYSA-N 382.460 3.616 0 40 GHAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(C(N)=O)cc3)cc2)n1 55148933 VNZOQTAHMSYJNV-UHFFFAOYSA-N 378.457 3.596 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(F)c(N(C)C)c(F)c1 55953393 BOGVNNLBEPCLEQ-IBGZPJMESA-N 385.414 3.934 0 40 GHAB CCOC(=O)CN(CC1CC1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 58061089 YVISTOOAIUTJIY-UHFFFAOYSA-N 386.496 3.551 0 40 GHAB CC(C)N(C(=O)COc1ccc(I)cc1)c1cccnc1 58440838 JHJUEPYEZARIKS-UHFFFAOYSA-N 396.228 3.507 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)CC1 58447214 VTOWZCKBJXTYMT-OAQYLSRUSA-N 397.950 3.964 0 40 GHAB Cc1cc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc(C)c1Cl 60807171 VZYASMAPHVLXQW-UHFFFAOYSA-N 376.859 3.824 0 40 GHAB CONC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 66607369 DZYFADQMTULWRP-UHFFFAOYSA-N 393.287 3.690 0 40 GHAB Nc1c(C(=O)Nc2ccc(Cl)cc2Cl)nnn1Cc1cccc(F)c1 67240165 DZOPLKWRURPEKA-UHFFFAOYSA-N 380.210 3.607 0 40 GHAB COc1ccccc1Cc1cccc([C@H]2CCCN(Cc3nccn3C)C2)n1 72350016 DTOCLRJXXVTBGA-IBGZPJMESA-N 376.504 3.794 0 40 GHAB O=C(CCc1nc(-c2ccccc2Cl)no1)N[C@H]1CCOc2ccccc21 72390321 KCFRVDLIXCCUCA-INIZCTEOSA-N 383.835 3.963 0 40 GHAB O=C(Nc1ccc(N2CCSCC2)cc1)N(C[C@H](O)c1ccccc1)C1CC1 79015245 JAAVXMMOCGYOEK-NRFANRHFSA-N 397.544 3.970 0 40 GHAB COC(=O)c1nc(NC(=O)CCc2c(C)n[nH]c2C)sc1-c1ccccc1 95479813 XVIZHCFQXJJCCN-UHFFFAOYSA-N 384.461 3.508 0 40 GHAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3cccc4c3OCCC4=O)c2)n1 97055067 ZLQHDBJZDUJVTQ-UHFFFAOYSA-N 375.428 3.766 0 40 GHAB CCOc1ccc(NC(=S)N2[C@H]3CCC[C@H]2CC(NC(=O)C2CC2)C3)cc1 100427019 KJGJABPWMKFICH-ROUUACIJSA-N 387.549 3.694 0 40 GHAB CCc1nn2c(O)cc(C[C@H](C)n3nc(C)nc3C)nc2c1-c1ccccc1 100776453 BIIGCVCFCVFCKL-ZDUSSCGKSA-N 376.464 3.676 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O 101301758 GMYFXDINXHRXQA-UHFFFAOYSA-N 393.349 3.622 0 40 GHAB C[C@H](CC(=O)[C@H]1CC(c2ccccc2)=NO1)C(=O)[C@H]1CC(c2ccccc2)=NO1 102676690 MHGINERDKHNSHR-UJUVCNOISA-N 390.439 3.537 0 40 GHAB COC(=O)N(C)Cc1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 117462476 SMVOVRDFJZGCQL-SFHVURJKSA-N 396.491 3.533 0 40 GHAB C[C@H]1CN(c2ccccc2NC(=O)c2c(Cl)nc3ccccn23)C[C@H](C)O1 130188013 BEGMKCLVFWIIJI-KBPBESRZSA-N 384.867 3.854 0 40 GHAB COc1ccc(CCCNC(=O)COc2ccc(Br)c(C)c2)cc1 218825712 OEWMSGPXZZWXIC-UHFFFAOYSA-N 392.293 3.894 0 40 GHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2cccc(OC)c2)no1 219371152 SRMMTGWCZKPOCT-GOSISDBHSA-N 395.459 3.836 0 40 GHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 222400644 IIBUUWLKPMORJH-SFHVURJKSA-N 384.545 3.949 0 40 GHAB CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccn1)c1ccccc1 223340259 OOHJZTLRNAQIHE-HSZRJFAPSA-N 387.483 3.878 0 40 GHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCCC4=O)cc3)s2)cc1 223695390 VTOGXLFIBWPXSP-UHFFFAOYSA-N 392.484 3.888 0 40 GHAB Cc1ccc(C)c(OCCNS(=O)(=O)Cc2ccc(Br)cc2)c1 224013077 VSWQUNXCXNHNFN-UHFFFAOYSA-N 398.322 3.564 0 40 GHAB Cc1ccccc1OCC(=O)N1CCC(Oc2cccc3cccnc23)CC1 225705330 DTOSGZSSIFYUIZ-UHFFFAOYSA-N 376.456 3.992 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(N2CCC[C@@H](C)C2)n1 225888793 DYUCBIHHMZPVOQ-HZPDHXFCSA-N 390.601 3.644 0 40 GHAB Cn1nccc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257232389 GKRLFVCAPCGISK-OAHLLOKOSA-N 384.867 3.672 0 40 GHAB NC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)COc2ccc(F)cc2)C1 257305449 SQADTHWEKXWVKS-ZDUSSCGKSA-N 398.459 3.534 0 40 GHAB CCc1cccc(NC(=O)N2CC[C@]3(CC[C@@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)c1 306139472 SYELLFLEQLRAFK-ITSWEJNFSA-N 399.535 3.567 0 40 GHAB COC(=O)[C@@H](C)CSCC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 524533644 FEVGZWMYNKBOJA-NSHDSACASA-N 394.518 3.608 0 40 GHAB O=C(NC[C@H](OCCO)c1ccsc1)C1c2ccccc2Oc2ccccc21 575618730 BRBCEEUUKAIFGS-FQEVSTJZSA-N 395.480 3.852 0 40 GHAB CN(C)Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)o1 583615187 PVQUAZOAOZKDFS-BBWFWOEESA-N 388.899 3.642 0 40 GHAB O=C1CCCc2cc(S(=O)(=O)N3CCCCC[C@H]3c3ccco3)ccc2N1 605805825 DEUVUIFBLYXDQE-SFHVURJKSA-N 388.489 3.860 0 40 GHAB O=C(NCc1ccc(Cl)cc1)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618254903 GPBTXJAZSUZAHE-INIZCTEOSA-N 382.851 3.646 0 40 GHAB CCN(Cc1ccccc1NC(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)C(C)=O 665534301 OUZBPZPGKYHDRG-HLAWJBBLSA-N 381.451 3.654 0 40 GHAB O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)N1CCC(c2ccon2)CC1 952852424 SADGLFJKPUBJAD-INIZCTEOSA-N 381.398 3.985 0 40 GHAB CC(C)(CNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1)c1ccc2ccccc2c1 1132084063 DSEZUSCHKPRNLQ-RUZDIDTESA-N 386.495 3.692 0 40 GHAB Cc1ccc2c(c1)C(=O)NCC1(CCC(N(C)C3CCN(C(C)C)CC3)CC1)O2 1615117865 DGOBOYKSDCMDME-UHFFFAOYSA-N 399.579 3.603 0 40 GHAB CCc1ncnc(N2CCC([C@@H](C)NC(=O)c3ccc(F)c(C)c3)CC2)c1F 1615611358 KSNLPMKWAPDSRQ-CQSZACIVSA-N 388.462 3.661 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)cc1 881979 CCXONFMGHXSJSD-UHFFFAOYSA-N 392.864 3.652 0 40 GHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(CNc2ccc(Cl)cc2)o1 897326 NNJKRQYIEVEIGM-GFCCVEGCSA-N 380.901 3.828 0 40 GHAB O=C(CNC(=O)OCc1ccccc1)Nc1ccc(Cl)c(Br)c1 1100297 QRMUHLGINCMQFA-UHFFFAOYSA-N 397.656 3.967 0 40 GHAB COc1ccccc1[C@H](CC(=O)N1CCOCC1)c1ccc(OC(C)C)cc1 1322388 JWBRXJNWZUZTNV-OAQYLSRUSA-N 383.488 3.863 0 40 GHAB biogenic O=S1(=O)C(=C(c2ccccc2)c2ccccc2)S(=O)(=O)c2ccccc21 1613500 OQAZTVWSGYBEPU-UHFFFAOYSA-N 382.462 3.665 0 40 GHAB CCOC(=O)[C@@](O)(c1ccc(NC(=O)c2ccc(C)cc2)cc1)C(F)(F)F 2187971 RUGMRXQGWUHDGL-SFHVURJKSA-N 381.350 3.560 0 40 GHAB Cc1ccc(N2C(=O)C[C@@H](Sc3nc(-c4ccccc4)n[nH]3)C2=O)cc1C 2211408 WRLFFEXQGFLRBH-MRXNPFEDSA-N 378.457 3.513 0 40 GHAB CCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCCC)cc3C2=O)cc1 3166275 LSWPJQLLRJINNG-UHFFFAOYSA-N 395.411 3.621 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cnc(Cl)c(Cl)c2)c1 3246907 COJNJHPMLCFKSQ-JTQLQIEISA-N 381.215 3.775 0 40 GHAB COc1cccc(NC(=O)COC(=O)CCCc2nc3ccccc3s2)c1 3318622 MNIXYNULIAUPMW-UHFFFAOYSA-N 384.457 3.810 0 40 GHAB CCOc1ccc(CN(C)C[C@@H](O)COc2cccc(Br)c2)cc1 3401572 UDKMKYPBOFYDPM-QGZVFWFLSA-N 394.309 3.720 0 40 GHAB Cc1ccc(CNC(=O)CSc2nnc3cc(C)c4ccccc4n23)cc1 3495954 HIESRHJFSHITRX-UHFFFAOYSA-N 376.485 3.908 0 40 GHAB COc1ccccc1NC(=O)COC(=O)c1ccccc1NCc1ccco1 3496732 OYOKUFYAWBZVJC-UHFFFAOYSA-N 380.400 3.696 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1Cl 3619031 GKHGWKRCDXJUPN-UHFFFAOYSA-N 398.640 3.907 0 40 GHAB Cn1c(C(=O)O[C@H](C(=O)NC2CCCCC2)c2ccncc2)cc2sccc21 4092614 QQDPATYOVFTAHM-IBGZPJMESA-N 397.500 3.982 0 40 GHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(C)c3C)C2=O)c1 4695896 FUWWUGSWWBLLEW-LICLKQGHSA-N 383.473 3.625 0 40 GHAB O=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 4732599 JNUMHTQRQOLQRQ-UHFFFAOYSA-N 386.498 3.521 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)c1C 4827175 ARPSKZFNMOEBEX-UHFFFAOYSA-N 383.322 3.772 0 40 GHAB COc1cc(C(=O)N[C@@H](C)c2nc(-c3ccccc3C)no2)cc(OC)c1OC 4998398 ZUZSTUFRJGDTES-ZDUSSCGKSA-N 397.431 3.562 0 40 GHAB O=C(c1ccc(F)cc1)n1nc(-c2cccnc2)nc1NCc1cccs1 5002109 LENZOMSGPWCDOY-UHFFFAOYSA-N 379.420 3.841 0 40 GHAB COC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCN(C(C)C)C2 5268250 KEIGPOGGMJRKMI-UHFFFAOYSA-N 390.480 3.622 0 40 GHAB CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)C3CCC3)cc2)cc1 5507375 NDEXSWNDXSWACP-UHFFFAOYSA-N 396.443 3.619 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1c(F)cccc1Cl 5636404 ZWTXJVWPKAGRAR-UHFFFAOYSA-N 382.844 3.516 0 40 GHAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 5858448 YTYDEMAJFJVVMG-AWNIVKPZSA-N 397.431 3.673 0 40 GHAB O=C(COc1ccccc1)Nc1ccccc1NS(=O)(=O)c1cccs1 6147215 GNYWLYBHAFUJNX-UHFFFAOYSA-N 388.470 3.566 0 40 GHAB COc1cc(OC)c(OC)cc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O 6324838 HAQBXGXPFQGBGK-LNQQGFPESA-N 378.494 3.802 0 40 GHAB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c([N+](=O)[O-])cc1OC 6324840 QLEKDENNZRTURQ-BHQGYJNKSA-N 393.465 3.701 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)cc1 6970617 SGRVRKASZIDHHB-UHFFFAOYSA-N 387.277 3.614 0 40 GHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)NCc1ccco1 7789701 JQNWRBRMCYAVQO-UHFFFAOYSA-N 393.472 3.763 0 40 GHAB O=C(CCc1nc(-c2ccccc2)no1)N1CCN(c2cccc(Cl)c2)CC1 8075553 ISKKLEYLFJVEAM-UHFFFAOYSA-N 396.878 3.671 0 40 GHAB COc1ccc(-c2nnc(SCc3nnc(-c4ccco4)o3)o2)cc1OC 8231506 ZMNGWZYEXQKTOR-UHFFFAOYSA-N 386.389 3.689 0 40 GHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CNC(=O)c1ccc(Cl)cc1 8279633 TYNPGDMSZMDAMY-GFCCVEGCSA-N 387.892 3.899 0 40 GHAB Cc1nc2c(=O)n(CC(=O)N(C(C)C)C(C)C)nc(-c3cccs3)c2s1 8956050 LSCDKFNTWZYJME-UHFFFAOYSA-N 390.534 3.535 0 40 GHAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 9062668 QHBZNZDHBMBWLL-UHFFFAOYSA-N 386.879 3.977 0 40 GHAB CCn1c(N2CCC(C(=O)NCc3ccccc3F)CC2)nc2ccccc21 12116382 JPFOSIUQHYISEI-UHFFFAOYSA-N 380.467 3.728 0 40 GHAB COc1ccc(OC)c(NC(=O)c2cc(O)c(OCc3ccccc3)cn2)c1 12168155 DHEGEPQZQHNLFG-UHFFFAOYSA-N 380.400 3.636 0 40 GHAB Cn1c(=O)n(C)c2cc(C(=O)N3[C@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)ccc21 12181110 AKPHJBPFRULFFL-JLYLLQBASA-N 393.462 3.567 0 40 GHAB COc1ccccc1/C=C/CN1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 12330103 KJILKNBKHPFZSZ-IEXSPKMKSA-N 399.445 3.963 0 40 GHAB Cc1ccccc1N1CCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)CC1 12528376 ZFINBKCAGDHTCI-UHFFFAOYSA-N 379.504 3.942 0 40 GHAB CN(CC(=O)c1ccc2c(c1)NC(=O)CO2)Cc1ccc(Cl)cc1Cl 12624356 FTXWUOUWEVRHGX-UHFFFAOYSA-N 379.243 3.639 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(Br)c2)cc1OC 12748715 WTSMEUFJXSJTKJ-UHFFFAOYSA-N 386.267 3.576 0 40 GHAB Cc1[nH]c2ccc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cc2c1C 12762553 AYPIGVSGBWFRAC-LJQANCHMSA-N 383.517 3.650 0 40 GHAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(C(N)=O)cc3)c12 12765874 GLYSARVNURMDSJ-UHFFFAOYSA-N 378.413 3.611 0 40 GHAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1ccc(Br)cc1Cl 12773208 JTGQJHPBEDTTRZ-LLVKDONJSA-N 382.689 3.919 0 40 GHAB COc1cc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc(OC)c1OC 12809590 KGZFFCLIQDNGRK-UHFFFAOYSA-N 399.487 3.903 0 40 GHAB Cc1cc(C)c(NC(=O)CNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c(C)c1 12928453 PWNTYGMVZKLOEM-UHFFFAOYSA-N 395.503 3.965 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1 12983115 RNTMVQVTATURGQ-BJMVGYQFSA-N 399.468 3.765 0 40 GHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C(F)(F)F)cc1 14248151 YMVGSTVNIWLUEA-ZDUSSCGKSA-N 380.366 3.637 0 40 GHAB COc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3c2c(O)nc(=O)n3C)cc1 15085159 PSLRSUQFWOOBFQ-UHFFFAOYSA-N 381.819 3.963 0 40 GHAB Cc1cc(C)cc(C(=O)NCC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 15694769 TUYDUQOKQCNKAP-AWEZNQCLSA-N 378.394 3.929 0 40 GHAB Cc1cc(C(=O)Cn2c([C@@H](C)O)nc3ccccc32)c(C)n1C[C@@H]1CCCO1 16045365 USUWIINVUWQYCV-SJORKVTESA-N 381.476 3.570 0 40 GHAB CSc1ncc(-c2nnnn2-c2ccccc2)c(-c2ccc(F)cc2F)n1 16248844 AZXHHDWELUEDKI-UHFFFAOYSA-N 382.399 3.786 0 40 GHAB COc1cccc(-c2ccc(=O)n(Cc3nc(-c4ccc(Cl)cc4)no3)n2)c1 16844811 ODLRTVQEIJTQQP-UHFFFAOYSA-N 394.818 3.671 0 40 GHAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)n1nc(C(F)(F)F)c(Cl)c1C1CC1 17077653 LIJYTSIXEYONSM-BBBLOLIVSA-N 379.810 3.630 0 40 GHAB O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1cc(=O)c2ccccc2o1 17200729 MZNXLYRKBKFONT-UHFFFAOYSA-N 382.322 3.656 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NCc1ccc(Cl)cc1 17297372 QDTQZYYBXKIWJT-UHFFFAOYSA-N 383.835 3.675 0 40 GHAB CCOc1ccc(C(=O)N[C@@H](CC(=O)OC)c2ccc(Cl)cc2)cc1OC 17586863 RHFFPMBYLPHTIN-INIZCTEOSA-N 391.851 3.782 0 40 GHAB C[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(-n2ccnc2)cc1 18049124 UTQYGKAMPZTGNC-KUHUBIRLSA-N 392.484 3.553 0 40 GHAB Nc1nc(COC(=O)c2ccc(C(=O)c3ccccc3)cc2)nc2ccccc12 18259445 UDCDMUZUCHAARI-UHFFFAOYSA-N 383.407 3.800 0 40 GHAB Cc1csc(C(=O)N2CCC(c3cc(C(=O)NC4CCCC4)on3)CC2)c1 19124495 VGCFPROOHTWWQS-UHFFFAOYSA-N 387.505 3.737 0 40 GHAB C[C@H](CC(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2)n1cccn1 19455412 BIHVFJAETURYKS-XLIONFOSSA-N 391.471 3.706 0 40 GHAB CC1CCN(Cc2c(C3CCN(C(=O)C4CCC4)CC3)[nH]c3nccnc23)CC1 19496919 ZZMSVUSBMLXAMT-UHFFFAOYSA-N 395.551 3.696 0 40 GHAB CC[C@@H](C(=O)NCc1c(C)nn(-c2ccc(F)cc2)c1C)n1nc(C)cc1C 19499482 CEOGWGUOHHIFTA-FQEVSTJZSA-N 383.471 3.709 0 40 GHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(CC2CC2)C1 19528732 LKXMRRUAZXDBAX-XMMPIXPASA-N 377.532 3.919 0 40 GHAB Cc1c(-c2cc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)on2)cnn1C 19554280 DUDIEVZVTZMRPE-UHFFFAOYSA-N 397.435 3.822 0 40 GHAB COc1ccc(CN2CC[C@@H]3NCCCCC[C@H]32)cc1Cc1c(C)noc1C 19712499 FJDIORYBZFOOAN-FCHUYYIVSA-N 383.536 3.997 0 40 GHAB Cc1c(C(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)sc2nc[nH]c(=O)c12 19717817 ZPLRKRXWMBVPCH-ZDUSSCGKSA-N 396.516 3.920 0 40 GHAB CCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 19943163 DOCHEMRAJCCESY-CHWSQXEVSA-N 390.343 3.905 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cn2ccc(C)cc2n1 20000004 IXZOZGQPOMTEAJ-UHFFFAOYSA-N 393.365 3.939 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20485152 FTTBPVUPSFATHJ-KRWDZBQOSA-N 398.528 3.594 0 40 GHAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)NC4CCCCCC4)n3)ccc12 20714788 DIWUWPQGMKSQOL-UHFFFAOYSA-N 397.431 3.516 0 40 GHAB biogenic Fc1cc(F)cc(Cc2nnc3sc([C@H]4COc5ccccc5O4)nn23)c1 20737201 ZAQGESPUJWKKSL-OAHLLOKOSA-N 386.383 3.567 0 40 GHAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccc2ccccc12 21919585 FMULJYYTMLOPKP-JOCHJYFZSA-N 378.447 3.782 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)c1cccc(OC[C@H]2CCCO2)c1 22610499 SBQBEQBCVRTZSU-HSZRJFAPSA-N 394.515 3.770 0 40 GHAB Clc1ccc(CN2CCN(Cc3nc(-c4ccsc4)no3)CC2)s1 22808311 JDCXBXZVWPMWFH-UHFFFAOYSA-N 380.926 3.831 0 40 GHAB O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)C1CCC1 22993209 HWVIOLTUEHCXMA-UHFFFAOYSA-N 380.853 3.585 0 40 GHAB CCOC(=O)c1c(C)oc2nc(CN(C)Cc3ccc(Cl)cc3)nc(O)c12 23038265 HADGPFSMLXTTRS-UHFFFAOYSA-N 389.839 3.699 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(NC(=O)c2ccco2)s1 23184288 LABJCFQUOGUNEQ-ZDUSSCGKSA-N 398.440 3.505 0 40 GHAB O[C@@H](c1ccccc1)c1cn(C2CCN(Cc3cnc4ccccc4c3)CC2)nn1 23338285 YHYGVFVFKMKJNI-DEOSSOPVSA-N 399.498 3.745 0 40 GHAB COc1ccccc1-c1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)o1 23969913 CSJCZGMJYZWJOG-LLVKDONJSA-N 380.429 3.835 0 40 GHAB FC(F)Sc1nc2ccccc2n1CN1CCN(c2ccccn2)CC1 24060288 YBGCEOSKNWKZQH-UHFFFAOYSA-N 375.448 3.526 0 40 GHAB O=C(c1cn2ccccc2n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 24257766 JXNKPCNLQVNSAX-UHFFFAOYSA-N 396.494 3.882 0 40 GHAB O=C(CSc1nccn1C1CC1)Nc1c(Cl)cc(Cl)cc1C(=O)O 24752717 GJBRWQLCWXAOFI-UHFFFAOYSA-N 386.260 3.954 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cn1 28431909 SWOZGZMRBISFKX-OAHLLOKOSA-N 394.258 3.640 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 29481468 HYNOHPCTUXMFLV-LPHOPBHVSA-N 382.435 3.551 0 40 GHAB O=C(CN1CCCCCC1=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 31469458 DXLNOTGAFGVRPD-UHFFFAOYSA-N 387.867 3.655 0 40 GHAB O=S(=O)(c1ccccc1Br)N1CCCc2c(F)cc(F)cc21 32598016 ZBSUWOJKGYYUIQ-UHFFFAOYSA-N 388.233 3.869 0 40 GHAB Cc1cc(NC(=O)[C@@H]2Cc3ccccc3O2)n(-c2cccc(Br)c2)n1 32832115 ZQRKFRPWVXTQFN-KRWDZBQOSA-N 398.260 3.885 0 40 GHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1OC(F)(F)F 32837427 AGSCTMWWBLAHCX-UHFFFAOYSA-N 380.322 3.912 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)n1 33134910 QEKKQHSSCJVXHI-MRXNPFEDSA-N 378.259 3.940 0 40 GHAB COc1cccc(C(=O)NC2CCN(C(=S)Nc3cc(C)ccc3C)CC2)c1 35311158 FUQNOSGMUZBNJQ-UHFFFAOYSA-N 397.544 3.903 0 40 GHAB COc1ccc2cc(CN(C)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)ccc2c1 35399867 HLCFZKOCNUDAGW-WAIKUNEKSA-N 395.503 3.738 0 40 GHAB CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O 36293908 YFSXCEZNEFYQAD-KRWDZBQOSA-N 381.881 3.785 0 40 GHAB Cc1cccc2c(=O)n(CC(=O)Nc3cccnc3Oc3ccccc3)cnc12 36759637 AYRKHAJXXSRRGD-UHFFFAOYSA-N 386.411 3.531 0 40 GHAB Cc1ccc(S(=O)(=O)NCCCCCC(=O)Nc2ccc(F)cc2)cc1 40143054 QRKIKAIGIMCFMV-UHFFFAOYSA-N 378.469 3.612 0 40 GHAB O=C(Cn1cnc2ccccc21)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 42379900 GHSYOOUDIGJCRL-CQSZACIVSA-N 393.472 3.554 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)cc1 42381911 RZUTYZWRBIKNTJ-NRFANRHFSA-N 376.456 3.659 0 40 GHAB CN(C)[C@@H](CNC(=O)c1ccc2nsnc2c1)c1cccc2ccccc12 42381917 CKNIIVBULCWUOK-FQEVSTJZSA-N 376.485 3.877 0 40 GHAB COC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1C 44625266 RHXLAFXNZKYITF-UHFFFAOYSA-N 378.222 3.562 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 44947561 WGXORIKQWJFNOW-FQEVSTJZSA-N 393.487 3.897 0 40 GHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)on1 46316421 QWVBRWHZUTVSBQ-QMMMGPOBSA-N 382.203 3.955 0 40 GHAB COc1cc(CCC(=O)NCCc2ccc(OC(F)(F)F)cc2)cc(OC)c1 48345699 NTSWMRTWYLARFE-UHFFFAOYSA-N 397.393 3.894 0 40 GHAB CCCc1nnsc1C(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1 49363085 ITSSVODMAYXQQH-UHFFFAOYSA-N 389.506 3.622 0 40 GHAB O=C(CCC1CCCC1)NC1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 49406735 NFPSSWLLWGKXNV-UHFFFAOYSA-N 394.519 3.768 0 40 GHAB COc1ccc(-c2noc(CS(=O)(=O)[C@@H]3CCCc4ccccc43)n2)cc1 52436505 NSSTVLRFXREUGI-GOSISDBHSA-N 384.457 3.738 0 40 GHAB O=C(CN1CCCCCCC1=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 56274933 KIGXXYCAWRNCOY-INIZCTEOSA-N 394.899 3.629 0 40 GHAB COc1ccc(OCCCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 58102909 WKJHSVJYKBPOJM-UHFFFAOYSA-N 382.460 3.729 0 40 GHAB O=C(NCCNc1ncc(Cl)cc1Cl)c1cc(Cl)c2c(c1)OCO2 58381843 JMKWEDAAUJPIBV-UHFFFAOYSA-N 388.638 3.612 0 40 GHAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)C1CCN(C(=O)C2CC2)CC1 58382522 LAVKOIWAISDMDX-INIZCTEOSA-N 378.925 3.642 0 40 GHAB O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@H]1CCCN1c1nccs1 58771502 SQBDBRDOIWPHRK-JKSUJKDBSA-N 393.459 3.907 0 40 GHAB Cc1nc(-c2nn3c(Cc4ccc(OC(F)(F)F)cc4)nnc3s2)co1 61720472 QUQAWCZJZYOGCY-UHFFFAOYSA-N 381.339 3.639 0 40 GHAB CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 67026557 YSFAYASCIBRECK-ZDUSSCGKSA-N 391.924 3.958 0 40 GHAB CCC(=O)Nc1cccc(NC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)c1 68716376 HBIHEHJLRKOZQC-CQSZACIVSA-N 396.447 3.874 0 40 GHAB Cc1cc(NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)n(C(C)(C)C)n1 69071444 SDEBXSYCYBPHCH-CQSZACIVSA-N 384.402 3.820 0 40 GHAB O=C(NCC1CCN(c2cnccn2)CC1)C1(c2ccc(Cl)cc2)CCCC1 70930584 MIULCBQTJVVVEE-UHFFFAOYSA-N 398.938 3.975 0 40 GHAB C[C@H](Oc1ccccc1)C(=O)NCC1CCN(c2nc3ccccc3o2)CC1 70932126 YBWNWQQGCPBKAK-INIZCTEOSA-N 379.460 3.628 0 40 GHAB CCc1cc(C(=O)N2CCC[C@@H](c3cncc(Oc4cccc(F)c4)n3)C2)on1 72362966 MJIZNGLETQAREI-CQSZACIVSA-N 396.422 3.978 0 40 GHAB Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(=O)O)ccc1F 78949501 VQPHRKKIJAIUQD-UHFFFAOYSA-N 377.315 3.652 0 40 GHAB Cn1cc(Nc2cccc(NC(=O)[C@@H]3CCCCN3Cc3cccnc3)c2)cn1 78968627 APWKNWUHHBWLRT-NRFANRHFSA-N 390.491 3.552 0 40 GHAB C[C@@H]1Sc2ccccc2N(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@@H]1C 79025780 KNCPXYRSQKPDQY-CABCVRRESA-N 395.528 3.907 0 40 GHAB CC(C)[C@@H]1N=C(O)c2ccccc2N(CC(=O)Nc2ccc(Cl)cc2)C1=O 79492708 NNMKTXGRJAQPCR-SFHVURJKSA-N 385.851 3.655 0 40 GHAB CN(c1nc2c(s1)C[C@H](c1ccccc1)CC2)S(=O)(=O)c1cccnc1 89365666 YADROQJORDHEII-OAHLLOKOSA-N 385.514 3.636 0 40 GHAB CCOc1ccc(SCC(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)cc1 89991194 MFSUMFIELCAIJE-OAHLLOKOSA-N 382.489 3.636 0 40 GHAB O=S(=O)(NCCCn1ccnc1-c1ccccc1)c1ccc2c(c1)CCCC2 90583390 CEWHEOSESFAOQU-UHFFFAOYSA-N 395.528 3.798 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(C(=O)c2cccs2)s1 90610593 FICHVCCQRYRUIU-UHFFFAOYSA-N 395.502 3.967 0 40 GHAB CCc1cccc2c(CC(=O)NCC3CCN(c4ccncc4)CC3)c[nH]c12 93066016 HQKPZLLGBHGTHR-UHFFFAOYSA-N 376.504 3.701 0 40 GHAB COCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1 95956647 IXDKUPJNKMPFFV-UHFFFAOYSA-N 377.444 3.639 0 40 GHAB Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2cccc3c2OCC(=O)N3)cc1 95960749 ZOWPFTMAWGMUNU-UHFFFAOYSA-N 390.443 3.887 0 40 GHAB Cc1ccccc1-c1nc(C)c(CNC(=O)[C@@H]2COc3ccccc3O2)s1 96342866 RIXJKVALYYLCOQ-SFHVURJKSA-N 380.469 3.883 0 40 GHAB CO[C@@](C)(CNC(=O)C(=O)Nc1cccc(Cl)c1C)c1cccc(Cl)c1 96393140 AVXIKQQRLJMZEB-IBGZPJMESA-N 395.286 3.918 0 40 GHAB COc1cc2nc(SC)n(Cc3ccccc3Cl)c(=N)c2cc1OC 100919890 QWWQOLTZRNUVDM-UHFFFAOYSA-N 375.881 3.957 0 40 GHAB Cc1cccc(NC(=O)C(=O)NCc2ccc([C@@H](O)c3ccccc3)s2)c1C 211091096 UWEORYCYJTZQQV-FQEVSTJZSA-N 394.496 3.702 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 222386851 DOPQOTGGSVTBSP-GOSISDBHSA-N 384.545 3.782 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 223546942 SLZHGVSCZJBCDQ-CQSZACIVSA-N 376.859 3.575 0 40 GHAB CCc1ccc(OCC(=O)NCCOc2ccccc2C)c(Br)c1 224247732 DGUCFAJLORWBGA-UHFFFAOYSA-N 392.293 3.894 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 224309420 SEVXCWHYYSLNAT-MAUKXSAKSA-N 386.533 3.703 0 40 GHAB Cc1cc(C)cc(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccccc2)c1 225186545 LHUYFWZQXUNKHY-SFHVURJKSA-N 388.533 3.659 0 40 GHAB COc1nc(SC)ncc1/C=C1/SCCN1C(=O)c1cc(F)ccc1F 225239843 LIMZJDRZAHKWND-VGOFMYFVSA-N 395.456 3.673 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(C)c(C)c1 225309504 IBLCWPRIBUYUIE-IBGZPJMESA-N 375.490 3.828 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@H](C)C(=O)NC(C)C)cc1 225676851 AVTNNWFXJJETCP-LJQANCHMSA-N 396.531 3.796 0 40 GHAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccccc2OC)c1 225787205 SWLBPDYBYQFLCT-CQSZACIVSA-N 388.489 3.626 0 40 GHAB Cc1ccc(C)c(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c1 225950539 VXENXPAWZOQASU-QGZVFWFLSA-N 380.897 3.576 0 40 GHAB O=C(C[C@@H]1SC(=O)NC1=O)Nc1ncc(Cc2cccc3ccccc23)s1 257173391 LVTCONPHIDPFTN-HNNXBMFYSA-N 397.481 3.567 0 40 GHAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCCN(Cc2cccnc2)C1 257213416 CHMLQTFARCWCFM-MRXNPFEDSA-N 380.517 3.773 0 40 GHAB CCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)c1ccccc1F 408556831 KGGMUORJHXNVRH-UHFFFAOYSA-N 394.468 3.554 0 40 GHAB C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2ncccc2Cl)CC1 528384209 WGCXVLCREWRRFV-ZDUSSCGKSA-N 389.912 3.725 0 40 GHAB COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(-n2cnnn2)cc1 554048520 WPIFUNWULYOZLC-KXBFYZLASA-N 392.463 3.676 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@H](c1cccs1)n1cccn1 575614516 VIPBCFFMOSBWMS-GOSISDBHSA-N 395.463 3.504 0 40 GHAB O=C(/C=C/c1cc(F)ccc1F)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575615037 AUSFFICMCRIAAD-PYUISTEWSA-N 395.409 3.552 0 40 GHAB Cc1cc(-c2noc(CN3CC[C@](CO)(Cc4ccc(F)cc4)C3)n2)ccc1F 585083907 YNLLDFUGSZRZQD-QFIPXVFZSA-N 399.441 3.750 0 40 GHAB CC(=O)NC1CCN(C[C@H](CN(C)Cc2ccccc2)c2ccccc2)CC1 585138579 HCPZFRNYIFWLBH-QHCPKHFHSA-N 379.548 3.503 0 40 GHAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)s1)c1cccc(F)c1 606440724 UWBPHGRXXLMVTI-ZDUSSCGKSA-N 383.491 3.628 0 40 GHAB CN(C(=O)Cn1ccc(C(F)(F)F)n1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 1535080174 JXRKEDZDQIODKV-CVEARBPZSA-N 381.398 3.606 0 40 GHAB COC[C@@H](C)N(C(=O)c1ccc(C(=O)OC)cc1F)[C@H]1CCc2ccccc21 1543616073 CPOOCDYFVQIUEF-VLIAUNLRSA-N 385.435 3.777 0 40 GHAB Cc1cnc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCSCC2)s1 1565524559 KUXFGHJRMGSGPY-UHFFFAOYSA-N 387.530 3.702 0 40 GHAB O=C1CO[C@]2(CCCN(Cc3ccc(Cl)cc3)C2)CN1c1cccc(F)c1 1615158439 RZSJUQNDOOJFRU-NRFANRHFSA-N 388.870 3.877 0 40 GHAB C[C@@H](c1ccccc1)[C@H](O)CNC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1 1633802976 IJABWWYVTCILAH-YVEFUNNKSA-N 392.377 3.961 0 40 GHAB O=C(Cc1cccc(Cl)c1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909322 STVWAHLBXHEOSS-NRFANRHFSA-N 391.870 3.844 0 40 GHAB CCCN(CCC)C(=O)c1sc(NC(=O)c2ccco2)c(C(=O)OC)c1C 871462 VUJCIWZQUFIEHJ-UHFFFAOYSA-N 392.477 3.951 0 40 GHAB COc1ccc(NC2=C(Cl)C(=O)N(c3cc(C)ccc3C)C2=O)c(OC)c1 939909 XNPNUUPVOCFRPZ-UHFFFAOYSA-N 386.835 3.756 0 40 GHAB O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)C1=Cc2ccccc2OC1 79049189 PQEJMJHLGWQMCO-LJQANCHMSA-N 379.847 3.718 0 40 GHAB O=C(COCc1nc2ccccc2s1)NCCOc1ccc(Cl)cc1 24639755 XNZKZWCBPQHFBZ-UHFFFAOYSA-N 376.865 3.662 0 40 GHAB CC(=O)Nc1ccc(NCc2cc(=O)n3c(C)csc3n2)c(C(F)(F)F)c1 12540869 HGDFRFZGYMWQQW-UHFFFAOYSA-N 396.394 3.654 0 40 GHAB COc1ccc(NC(=S)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 4857638 KZNCIPCGQKMUFW-UHFFFAOYSA-N 375.538 3.553 0 40 GHAB CCCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)CC)cc2)cc1 6710522 XAAYCTXGIYCDAH-UHFFFAOYSA-N 385.489 3.951 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCC[C@H]1C1CCCC1 56034192 JROXQTUQNNGCSG-AWEZNQCLSA-N 376.806 3.702 0 40 GHAB Cc1nc(C(=O)NCc2ccccc2OC(F)F)nn1-c1ccc(Cl)cc1 10115052 FDUHRQOOTJYLAF-UHFFFAOYSA-N 392.793 3.761 0 40 GHAB CCOCCn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 27789113 CQBPYUWTDWWKAK-KRWDZBQOSA-N 381.451 3.728 0 40 GHAB CCCNC(=O)CN(C)C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 10467399 NXLSAWWAUHOKIZ-KRWDZBQOSA-N 398.532 3.529 0 40 GHAB COc1ccc(CNC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cn1 10990797 ZCBQHIGGSODWBD-UHFFFAOYSA-N 378.428 3.608 0 40 GHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11072803 KXAUCKRPUAMKPI-NRFANRHFSA-N 391.471 3.831 0 40 GHAB COC(=O)c1sc2nc(C)nc(N3CCO[C@H](c4ccccc4)C3)c2c1C 29524608 CELBLMCQPKLCHH-HNNXBMFYSA-N 383.473 3.673 0 40 GHAB COC[C@H](C)NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 60387747 DACVRVGZWGQNPZ-RIFZZMRRSA-N 386.517 3.692 0 40 GHAB COc1cc(CCC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc(OC)c1 22418213 YAFZHSCJTBVEEP-UHFFFAOYSA-N 397.393 3.894 0 40 GHAB CN(c1ccccc1C(=O)Nc1ccc2c3c(cccc13)CC2)S(C)(=O)=O 55452088 PRIAUGGYIXGOLS-UHFFFAOYSA-N 380.469 3.587 0 40 GHAB CC(=O)N1CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 12068285 SUIYSOVATYBPIG-UHFFFAOYSA-N 385.272 3.703 0 40 GHAB CCNS(=O)(=O)c1ccc(C(=O)N(C2CCC(CC)CC2)C2CC2)cc1 48274766 KDGWLENBQZUNLY-UHFFFAOYSA-N 378.538 3.558 0 40 GHAB COc1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1OC(F)F 12775552 KPVOAYJUHQFRSK-UHFFFAOYSA-N 384.404 3.507 0 40 GHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)c1 48355026 CJSACSLCNGCLQX-AVYPCKFXSA-N 382.460 3.516 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C)c1ccccc1 12870188 JOOUHIZTPCUKGG-ZDUSSCGKSA-N 390.281 3.756 0 40 GHAB Cc1ccc(C(=O)N2CC[C@@]3(C2)Cn2c(-c4ccccc4)cnc2CO3)s1 306125293 CLMQGKNCXCJHAZ-OAQYLSRUSA-N 379.485 3.735 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccc(-n2cccn2)cc1)C1CC1 96010474 ZYNDSVQBXVBLRM-SFHVURJKSA-N 385.464 3.609 0 40 GHAB COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(F)c1 6053260 XIDKNIZPOGDTNC-QGZVFWFLSA-N 389.814 3.754 0 40 GHAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2F)n1C 5130847 KTJIMIWHVILKDE-LBPRGKRZSA-N 386.452 3.749 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccccc2)n(-c2ccc(Br)cc2)n1 4450216 ZLDWCXHMBNDLRD-UHFFFAOYSA-N 392.278 3.744 0 40 GHAB Cc1cccc(O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C 22528354 HTFQAQJAWMSLBN-QGZVFWFLSA-N 379.460 3.507 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1 5347689 QDTOMGUJTOAVAI-UHFFFAOYSA-N 382.504 3.825 0 40 GHAB COc1cc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)[nH]c2cc1OC 5346397 QLWKJYGSLNHDFK-UHFFFAOYSA-N 399.878 3.801 0 40 GHAB CN(c1ccccc1)C1CCN(C(=O)Nc2ccc3oc(=O)ccc3c2)CC1 65819158 ISKGLKDZFPGSOM-UHFFFAOYSA-N 377.444 3.926 0 40 GHAB CC(C)Cn1c(SCC(=O)NC(=O)Cc2ccccc2)nc2ccccc21 6567128 KQHJUPJGFWGCMZ-UHFFFAOYSA-N 381.501 3.670 0 40 GHAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cccc(N)c1 4676971 GMQPMGHTIVXDBC-UHFFFAOYSA-N 389.484 3.948 0 40 GHAB Oc1nc(SC[C@H]2Cc3ccccc3O2)nc2c1cnn2-c1ccccc1 84572781 USWBSTVNQOVPKB-OAHLLOKOSA-N 376.441 3.617 0 40 GHAB CCCN(C(=O)/C=C/c1ccc(C)o1)C1CCN(c2cc(C)nc(C)n2)CC1 95397105 UUJXHAHRCNHSQB-CMDGGOBGSA-N 382.508 3.916 0 40 GHAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)NC2CCCCC2)cc1 7191791 NLHPLHLVOKKZKK-UHFFFAOYSA-N 382.460 3.775 0 40 GHAB COc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC 408628564 YWIBDGBJVOFRSE-UHFFFAOYSA-N 390.288 3.977 0 40 GHAB CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C(C(=O)OC)=C(C)N2 7990956 RRHSTXXRTNPQTL-ZDUSSCGKSA-N 391.518 3.728 0 40 GHAB Nn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1cccc(F)c1 7989610 WHAKYGXMPNQTTL-UHFFFAOYSA-N 392.843 3.515 0 40 GHAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NCc1ccc(Cl)cc1 16760402 WZKSQBIOUBMJDC-CYBMUJFWSA-N 386.908 3.714 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)NC2(c3ccc(Br)cc3)CC2)c1C 71808691 HYXCSISMLAZCSI-UHFFFAOYSA-N 391.265 3.600 0 40 GHAB CN(C)C(=O)[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 8392877 WKDGANBTYTZONH-SFHVURJKSA-N 389.484 3.737 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1S(=O)(=O)NC(C)C 408701069 QVISXNRDSZAGFV-UHFFFAOYSA-N 390.505 3.641 0 40 GHAB COc1cccc(CNc2nn[nH]n2)c1OCc1ccc(Cl)cc1Cl 8495459 GTRMVJNXUGMTNC-UHFFFAOYSA-N 380.235 3.706 0 40 GHAB C1=C(c2cccnc2)Nc2nnnn2[C@@H]1c1ccc(OCc2ccccc2)cc1 9683159 PMXJGQKBHGLIJL-NRFANRHFSA-N 382.427 3.703 0 40 GHAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccnc1)c1cccs1 8744679 OQRSHOQGIUCFMB-SFHVURJKSA-N 390.468 3.604 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3cccc4c3O[C@H](C)[C@H]4C)cc2)CC1 8721332 DFEDGZZIOADYOC-IAGOWNOFSA-N 379.504 3.965 0 40 GHAB CC(=O)Nc1ccccc1OCc1cc2c(cc1Br)OCCO2 8719610 XRTAFOHASXGKLN-UHFFFAOYSA-N 378.222 3.758 0 40 GHAB COc1ccc(CC(=O)Nc2ccc3[nH]c(-c4cccnc4)nc3c2)cc1OC 71279954 CTZPBYYIRUKJHT-UHFFFAOYSA-N 388.427 3.823 0 40 GHAB COC(=O)[C@H]1c2ccccc2CCN1Cc1cccc(C(=O)N2CCCCC2)c1 95405179 IULDUHDNNIGZSK-JOCHJYFZSA-N 392.499 3.585 0 40 GHAB Cc1ccsc1CN1CCN(C)[C@@H](c2cn3c(N4CCCC4)cccc3n2)C1 306132584 LMWJDDYVHPYUFZ-LJQANCHMSA-N 395.576 3.793 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=O)C1CCN(Cc2ccccc2F)CC1 39757624 QPIFAZYMFDKZEX-OAQYLSRUSA-N 389.559 3.809 0 40 GHAB CCC(=O)Oc1ccccc1/C=C1\C(=O)N(c2ccccc2F)C(=O)N=C1O 33517397 BVLAEQXHOPZRMV-QBFSEMIESA-N 382.347 3.648 0 40 GHAB CN1CC[C@@](O)(CN[C@H](c2sccc2Br)C2CCCCC2)C1 556573022 MHJBGWCKQQJQMY-DOTOQJQBSA-N 387.387 3.788 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 30871099 DGYRDTYEWVTQSK-CQSZACIVSA-N 390.867 3.512 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCCCC3)nc2)cc1 72216052 SZZSEYQPNMIJJQ-FQEVSTJZSA-N 385.533 3.906 0 40 GHAB COc1c(C)cccc1CN1CCC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 72398568 OEQRTXAFJKWUBA-UGKGYDQZSA-N 393.531 3.878 0 40 GHAB Cc1noc(C)c1CN1CCN(C(=O)Cc2ccc(SC(C)C)cc2)CC1 38679247 ISLNAAGUNFAIBL-UHFFFAOYSA-N 387.549 3.679 0 40 GHAB CCOc1cccc(CNC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 219685168 BNGCPRNUNGPODT-ZDUSSCGKSA-N 378.266 3.932 0 40 GHAB O=C(O)[C@@H]1CCCN(C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)C1 32090277 LHAJQOHKKMMEAY-SNVBAGLBSA-N 399.299 3.983 0 40 GHAB Cc1cccc(C2(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)CCOCC2)c1 72391801 NVPGGWLTYURJRB-OAQYLSRUSA-N 384.495 3.601 0 40 GHAB CCOC(=O)c1cccc(NC(=S)NCc2nc(-c3ccc(C)cc3)no2)c1 225817636 BTKPPGYWYKRSNX-UHFFFAOYSA-N 396.472 3.708 0 40 GHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)c(OC)c1 224823755 ZAFKSZQETZOULZ-UXHICEINSA-N 394.500 3.912 0 40 GHAB COc1c(Cl)cc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)cc1Cl 226268710 RFUWPEOEJOLUFD-UHFFFAOYSA-N 396.274 3.673 0 40 GHAB CCOC(=O)c1cc(NC(=O)CCc2ccc3c(c2)OCCO3)ccc1Cl 222643955 XBIBQNQKGCWHIR-UHFFFAOYSA-N 389.835 3.859 0 40 GHAB O=C(COc1nn(-c2ccccc2)cc1Cl)NCCCc1ccccc1F 227152226 WFZUJDPJVDYJML-UHFFFAOYSA-N 387.842 3.793 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)cc1 223013582 XTUPEULNUGMFJI-LJQANCHMSA-N 388.895 3.581 0 40 GHAB CC[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)c1ccc(OC)c(C)c1 224812638 PXDXWLMZQYKBNM-QGZVFWFLSA-N 390.505 3.565 0 40 GHAB Cc1c(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cnn1-c1ccccc1 49520878 NBCHISGSNPFAMB-UHFFFAOYSA-N 393.462 3.798 0 40 GHAB O=C(NCCc1ccc(OC(F)F)cc1)C1CCN(Cc2ccccc2)CC1 47303416 LNPGBRXKJQNAHA-UHFFFAOYSA-N 388.458 3.859 0 40 GHAB CCC[C@H](C)NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 224425817 LHYLIAXUISIZGP-KRWDZBQOSA-N 388.533 3.734 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 40640140 GNXGXVRDNNTWLZ-UHFFFAOYSA-N 378.881 3.831 0 40 GHAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 44911487 GRSIPYDOEIDOMO-UHFFFAOYSA-N 384.451 3.853 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 224165635 LMQRYWYGDNSLQX-QFIPXVFZSA-N 396.531 3.934 0 40 GHAB CC[C@H](NC(=O)N1CCc2ccccc21)[C@H](c1ccc(C)cc1)n1cncn1 535218571 FUIIWTDLDUAZNJ-FPOVZHCZSA-N 375.476 3.727 0 40 GHAB COc1cc(CN(C)c2ccc(-c3nc(C)cc(=O)[nH]3)cn2)ccc1SC 95399223 CSWJRRZVEOMPSJ-UHFFFAOYSA-N 382.489 3.507 0 40 GHAB Cc1c(CN2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cnn1C 257203525 AQLLTUNLEKFKMX-QFIPXVFZSA-N 396.922 3.941 0 40 GHAB COc1ccc(SCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 90608293 SLRUOHLYHJYLNL-UHFFFAOYSA-N 377.531 3.888 0 40 GHAB N[C@H](C(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1)[C@H]1CCCO1 1616035224 SVEQCDTXAMVWKR-AEFFLSMTSA-N 395.286 3.908 0 40 GHAB CCn1c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 36741624 DEAOSMBDIPNZCX-CYBMUJFWSA-N 382.851 3.701 0 40 GHAB CSc1ncc(Cl)c(C(=O)NCc2ccnc(Oc3ccccc3)c2)n1 40106873 UINAAFAUCDAEPF-UHFFFAOYSA-N 386.864 3.969 0 40 GHAB Cc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)CCc2ccccc2)cc1 866240 AAEHLGZFFSXLQW-LJQANCHMSA-N 376.378 3.924 0 40 GHAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C/c1ccc2c(c1)OCO2 4085437 KLVPWGIDKMSJQW-FNORWQNLSA-N 379.412 3.501 0 40 GHAB biogenic CCCc1cc(C(=O)OCC(=O)NCCc2ccc(OC)cc2)sc1C 5435633 DAVWHZIPRFSHDB-UHFFFAOYSA-N 375.490 3.533 0 40 GHAB Cc1cnc(-c2nc(NCc3ccc(F)cc3)ncc2-c2cc(C)no2)cn1 12154457 ZPRXOMFODINAOA-UHFFFAOYSA-N 376.395 3.957 0 40 GHAB Cc1ccccc1-c1noc([C@H](C)NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)n1 12201148 VADSETSVKSMJKB-YVEFUNNKSA-N 383.835 3.879 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)COc1cccc(C(C)(C)C)c1 12977343 KXLXGLBJDTYFAR-UHFFFAOYSA-N 375.490 3.714 0 40 GHAB Cc1ccsc1C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 13227766 DRMDCPPCWPDQOD-UHFFFAOYSA-N 379.485 3.723 0 40 GHAB O=C(CCSCc1ccccc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 13684924 ZHTNTINPLBXJHQ-GOSISDBHSA-N 398.528 3.857 0 40 GHAB CCc1cccc(NC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)c1 15425892 KCSZKENSMVODAZ-UHFFFAOYSA-N 394.500 3.966 0 40 GHAB COCCc1ccc(-c2csc(NC(=O)[C@H]3Cc4ccccc4O3)n2)cc1 15611130 FSURFWBWMGKDRU-LJQANCHMSA-N 380.469 3.941 0 40 GHAB COc1ccc(CN2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)cc1O 19120757 QNEPJOGDVSIGHN-CQSZACIVSA-N 386.477 3.595 0 40 GHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NCc2ccccc2F)cc(=O)[nH]1 19285175 ZGDJDFAQOROHCJ-HXUWFJFHSA-N 376.435 3.772 0 40 GHAB CCCC(=O)N1CCN(CCC)C(=O)[C@H](Cc2cccc(-c3ccncc3)c2)C1 19501439 KORNMCMZKNFJRM-JOCHJYFZSA-N 393.531 3.788 0 40 GHAB CCCN1CCC(C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)CC1 19502597 NFRTUYFFOKHBAR-SFHVURJKSA-N 376.472 3.764 0 40 GHAB CCc1nc(NC(=O)CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)sc1C 19719820 NGVJKFOLMPYXNY-OAHLLOKOSA-N 397.548 3.783 0 40 GHAB CC(=O)NC1(c2ccc(F)cc2)CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 12188428 UWODHARSYLBXOT-HXUWFJFHSA-N 390.886 3.640 0 40 GHAB COc1ccc(CN(Cc2cn(C)c3ccc(F)cc23)C[C@@H](C)O)cc1OC 12147956 XVFCYPMPOOILOH-OAHLLOKOSA-N 386.467 3.718 0 40 GHAB CCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cc(C)c1C 15866635 KMNHOLKCERJHLD-UHFFFAOYSA-N 397.500 3.577 0 40 GHAB O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)NC[C@@H]1CCCO1 3448394 PEHOSEGQKQSZTJ-JTQLQIEISA-N 388.272 3.660 0 40 GHAB C[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCc2ccccc2C1 5981209 FPVOUTMKWHYRQA-ZDUSSCGKSA-N 377.362 3.836 0 40 GHAB Fc1cccc(-c2ccc(N3CCN(Cc4nc5c(s4)CCC5)CC3)nn2)c1 1888903916 XYYHMEFMOSJEQE-UHFFFAOYSA-N 395.507 3.550 0 40 GHAB Cc1nnsc1C(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1890298742 HSBBYUIQCWGAOD-UHFFFAOYSA-N 379.489 3.687 0 40 GHAB CC[C@@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)Nc1cc(C)on1 16127563 NNZYJOGVQDDRAA-LLVKDONJSA-N 377.447 3.742 0 40 GHAB Cc1nc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)n(C)c2)cs1 16202272 FUQRDRDTGLTSOU-UHFFFAOYSA-N 382.489 3.546 0 40 GHAB O=C1N(c2ccccc2)CCCC[C@]12CN(CCCc1ccccc1)CCO2 2037980786 IUBUEHLJVCEGIT-DEOSSOPVSA-N 378.516 3.907 0 40 GHAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1cccs1 5298827 HINWWKUVHDHVJK-KRWDZBQOSA-N 386.498 3.693 0 40 GHAB O=C(NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Cl)cc1Cl 8981940 ARMCBTCAYQRCQQ-NSHDSACASA-N 381.234 3.915 0 40 GHAB CCOc1ccc(OCC(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc1 17308056 KEWMCXMWPJDELZ-UHFFFAOYSA-N 388.370 3.714 0 40 GHAB NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCN(Cc1ccccc1)C2 23153817 YBIJKXQVYZLAHN-UHFFFAOYSA-N 397.525 3.719 0 40 GHAB COc1cc(NC(=O)NC[C@@H]2CCCN2c2ccccc2)cc(OC)c1OC 211119394 OAMRHALOXJOJPP-KRWDZBQOSA-N 385.464 3.503 0 40 GHAB O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc2nsnc2c1 38667203 GQDBGDIZMIQORN-UHFFFAOYSA-N 384.461 3.926 0 40 GHAB COc1ccc(Cl)cc1NC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 43169013 IPDHFRIHSPXPJC-UHFFFAOYSA-N 392.843 3.528 0 40 GHAB CSc1ccccc1C(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575616418 JREQVASSDVIXMT-HNNXBMFYSA-N 379.485 3.596 0 40 GHAB O=C(NC1CCN(c2cnsn2)CC1)C1(c2ccc(Cl)cc2)CCCC1 575616504 OVQNQSFHWBWZNG-UHFFFAOYSA-N 390.940 3.789 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccc2nsnc2c1 585147970 KYZGBRJQNKACFW-ZDUSSCGKSA-N 387.511 3.945 0 40 GHAB Cc1nc2ccccc2nc1-c1nnc(-c2ccc(OCC(=O)O)cc2)s1 16265707 JVNLHRIQLCOJLA-UHFFFAOYSA-N 378.413 3.587 0 40 GHAB O=C(NC1CC1)c1ccccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 7054385 UUHGRKXTZAEXBG-VAWYXSNFSA-N 376.865 3.645 0 40 GHAB Cc1nc(S(=O)(=O)Cc2csc(Br)c2)n(CC(C)C)c1C 40152216 TYEUHQDTOMLOHY-UHFFFAOYSA-N 391.356 3.954 0 40 GHAB O=C(c1ccc(Cl)o1)N1CCN(Cc2csc(-c3ccco3)n2)CC1 30650139 OKAAYUOLOMMIOT-UHFFFAOYSA-N 377.853 3.608 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc2c(OC(F)F)cccc2[nH]1 31279095 UCCJFNFWLRDWLW-GFCCVEGCSA-N 388.370 3.681 0 40 GHAB Cc1ccc(-c2noc(CCNC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 32623844 GQMBLSMBBQGRTO-UHFFFAOYSA-N 385.851 3.745 0 40 GHAB CN(Cc1ccc2c(c1)OCCO2)C[C@H](O)COc1ccccc1C(C)(C)C 32888202 KGKYSNUXHWRPCH-SFHVURJKSA-N 385.504 3.627 0 40 GHAB Fc1ccc(-c2cc3ncnc(N4CCN(C[C@H]5CCCO5)CC4)c3s2)cc1 33010806 QQYWOXQHFDXILW-QGZVFWFLSA-N 398.507 3.798 0 40 GHAB COC(=O)CCSCc1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1 103406747 ODBIDQLYHQNIEU-UHFFFAOYSA-N 395.484 3.921 0 40 GHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc(Cl)ccn1 22568081 VLMXDHUJKOEKRY-UHFFFAOYSA-N 385.773 3.843 0 40 GHAB O=C(OC[C@@H]1COc2ccccc2O1)c1cnn(Cc2ccccc2Cl)c1 22886944 WOLNARHZIKMYHG-INIZCTEOSA-N 384.819 3.582 0 40 GHAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc(C(N)=O)c1C 668189 PCWCBDBXEMZPMI-RMKNXTFCSA-N 392.864 3.637 0 40 GHAB O=C(NCc1ccccc1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918121 OGUFHJSJJSPPTM-UHFFFAOYSA-N 386.333 3.938 0 40 GHAB CSc1ncccc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2628344 GSBHHNVIFCDFMX-UHFFFAOYSA-N 397.422 3.911 0 40 GHAB Cc1ccc(-c2csc3ncnc(OCC(=O)Nc4cc(C)on4)c23)cc1 2636320 JZCSLIATGBXALJ-UHFFFAOYSA-N 380.429 3.981 0 40 GHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)ccc1O 3297630 CSTMCZCXAWBPKQ-SOFGYWHQSA-N 396.226 3.903 0 40 GHAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)NCCC1=CCCCC1 3349128 OPMZRKVEVYCCBH-OAHLLOKOSA-N 386.521 3.763 0 40 GHAB Cc1oc(-c2ccccc2)nc1C(=O)NN1C(=O)c2cccc3cccc(c23)C1=O 3353891 LJBZNHGITZULPI-UHFFFAOYSA-N 397.390 3.744 0 40 GHAB COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)c(OC)c1 3375044 PKMFZZRREJJZMI-AORWBKJGSA-N 389.835 3.941 0 40 GHAB O=C(CSc1nc2ccc(Cl)cc2o1)NCc1ccc2c(c1)OCO2 3415037 WFAAGJLZDJMPKM-UHFFFAOYSA-N 376.821 3.618 0 40 GHAB COc1ccc(C(=O)[C@H](C)OC(=O)c2cc(C)nc3ccccc23)c(OC)c1 3522426 CNFWSGWTODVRJQ-AWEZNQCLSA-N 379.412 3.989 0 40 GHAB Cc1cc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)ccc1Br 3565954 NEOCNQXLTGWHIU-UHFFFAOYSA-N 387.233 3.663 0 40 GHAB NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2F)cc1 4317063 GHNLARIVONCWBD-NRFANRHFSA-N 395.459 3.829 0 40 GHAB Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1 4682255 FHWNMYRKCJRCGZ-UHFFFAOYSA-N 386.517 3.651 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(C)C)cc2)C1=O 4704836 MGJLWAFEHQGWAC-RKPNYOAGSA-N 377.462 3.709 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3C)n2C)cc1OC 4814862 ZAKBBWZEFYLPBL-UHFFFAOYSA-N 383.473 3.783 0 40 GHAB CSc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 4885016 QAJBYDLIZKZJNM-UHFFFAOYSA-N 376.503 3.508 0 40 GHAB Fc1ccc(Cn2nnnc2[C@@H](c2ccccc2F)N2CCCCCC2)cc1 4968365 KNSXTZZLSPHFSZ-HXUWFJFHSA-N 383.446 3.965 0 40 GHAB CCCCOc1ccc(-c2nnn(CC(=O)Nc3cc(C)ccc3C)n2)cc1 4973934 VPBYCIMWBGWWOY-UHFFFAOYSA-N 379.464 3.775 0 40 GHAB O=C(OCc1ccco1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 5054202 QXOCMZBRUDSTFY-WQRHYEAKSA-N 391.379 3.523 0 40 GHAB C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)NC(=O)NC1CCCCC1 5175146 QPUDKCGXYWCFLQ-CQSZACIVSA-N 386.521 3.726 0 40 GHAB O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(F)c(F)c1 5259352 FPARIGDIYGCNPF-UHFFFAOYSA-N 396.397 3.511 0 40 GHAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nccn1C 5359786 XMQSAEHPMAMTMK-UHFFFAOYSA-N 391.474 3.649 0 40 GHAB Brc1ccc2c(c1)C(c1cccnc1)=NNC(c1cccnc1)=N2 5448525 CQTKLBBMQLINCS-UHFFFAOYSA-N 378.233 3.673 0 40 GHAB O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 6252483 HKGAXHBTPDPOFM-ODAXIHTASA-N 388.511 3.655 0 40 GHAB Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3OCC(=O)O)C2=O)c1 6478765 PDLQIYIUXDNRAK-LICLKQGHSA-N 383.425 3.695 0 40 GHAB O=C(c1ccccc1)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 6927258 HXBUTHZDPIEXQP-AVCGJXAMSA-N 379.456 3.924 0 40 GHAB biogenic COc1cc(CC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc(OC)c1OC 6977982 ZKVCEUQSVYXFOS-QFIPXVFZSA-N 392.455 3.556 0 40 GHAB CC(=O)Nc1ccccc1SCc1cc(=O)n2c3c(sc2n1)CCCC3 7007217 ZCABEGYRFFJAJK-UHFFFAOYSA-N 385.514 3.886 0 40 GHAB Cc1ccc(-c2csc3ncn(CC(=O)NC4CCCCC4)c(=O)c23)s1 7024995 HWOYLUAFSNTGFR-UHFFFAOYSA-N 387.530 3.944 0 40 GHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1ncnc2sccc12 7329396 MMLVHNDZDKEXNK-UHFFFAOYSA-N 387.486 3.561 0 40 GHAB CSc1nc(N2CCCCC2)c2cc(C(=O)NCc3ccncc3)sc2n1 7365774 JWYQNWNERQKATD-UHFFFAOYSA-N 399.545 3.729 0 40 GHAB Cc1ccc(-c2n[nH]c(SCC(=O)c3ccc4c(c3)OCCCO4)n2)cc1 7485584 LMCSPHLZUMEJJB-UHFFFAOYSA-N 381.457 3.916 0 40 GHAB CSc1ncccc1C(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1 7735472 UIKDWBJFSKQCSC-UHFFFAOYSA-N 398.513 3.815 0 40 GHAB COc1cc2c(cc1C[C@@H]1SC(=O)N(c3ccc(Cl)cc3)C1=O)OCO2 8114124 LZNYZNANICNURN-INIZCTEOSA-N 391.832 3.888 0 40 GHAB COc1cc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)c(OC)cc1Cl 8313669 GOOWPLUWCTZQLV-UHFFFAOYSA-N 397.258 3.769 0 40 GHAB CC[C@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 8325109 FTUXYGHIIILKQQ-OAQYLSRUSA-N 399.878 3.753 0 40 GHAB Cc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccccc3C#N)C1=O)OCO2 8336780 CMANAHVAJFXNID-QGMBQPNBSA-N 378.409 3.832 0 40 GHAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(-n2cncn2)cc1 8428370 MRAFSDPRGFGFSL-UHFFFAOYSA-N 377.629 3.936 0 40 GHAB COc1ccc(NC(=O)Cn2nc(COc3ccccc3C)oc2=S)cc1 8571603 ZILOKOVPFGENSJ-UHFFFAOYSA-N 385.445 3.740 0 40 GHAB O=c1c2ccccc2nnn1CSc1ncc(-c2ccccc2)n1C1CC1 8708776 WDLNSWNMTZMYIF-UHFFFAOYSA-N 375.457 3.740 0 40 GHAB COc1ccc2nc(SCC(=O)c3cc(OC)c(OC)c(OC)c3)[nH]c2c1 8759914 FRHRVRASDMFDRQ-UHFFFAOYSA-N 388.445 3.572 0 40 GHAB CCCc1cc(O)nc(S[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)n1 9194057 MDRHJSMAIIZLDM-KRWDZBQOSA-N 384.461 3.903 0 40 GHAB Cc1cccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccccc32)c1 9219754 DGUYHGOLKXXLHG-KRWDZBQOSA-N 381.501 3.721 0 40 GHAB COc1ccc(CCNC(=O)CSc2nccn2-c2ccccc2C)cc1 10880828 HNMWKMOVTFNVHY-UHFFFAOYSA-N 381.501 3.640 0 40 GHAB CC(C)CNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 11120073 CLAXLYSOBUUSKC-UHFFFAOYSA-N 386.517 3.758 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCN(c3nccn3-c3ccccc3F)CC2)c1 11695684 MTOGYIBEJLHGOD-UHFFFAOYSA-N 378.451 3.591 0 40 GHAB CCn1nccc1C(=O)N1CCN(c2nc3c(C(C)C)cccc3s2)CC1 11696002 JBWZUJBLGOXJEG-UHFFFAOYSA-N 383.521 3.599 0 40 GHAB COc1ccc(C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)cc1OC 12086925 KYPHYQCRDWPQSB-QGZVFWFLSA-N 383.444 3.507 0 40 GHAB CN(C)Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)cc1 12088037 QWSABJVTKONGBL-HXUWFJFHSA-N 388.515 3.898 0 40 GHAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@@H](NC(=O)Cc2cccc(F)c2)C1 12221044 FNDNMWLFHZFZLV-SFHVURJKSA-N 382.483 3.588 0 40 GHAB CCCc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)no1 12242151 LWDNLBUDMUFTTP-IBGZPJMESA-N 391.475 3.923 0 40 GHAB COc1ccc(N[C@@H](C(=O)NC(N)=O)c2ccccc2)cc1Cc1ccccc1 12516984 WQHOXRICFMORHN-OAQYLSRUSA-N 389.455 3.634 0 40 GHAB COc1ccc(CN2CCN(c3ccc(-c4nc5ccccc5[nH]4)cn3)CC2)cc1 12549688 FTOQGICHKHOPGM-UHFFFAOYSA-N 399.498 3.956 0 40 GHAB COc1cc(-c2nnc(COc3ccc(F)cc3F)o2)cc(OC)c1OC 12552137 MPTVMGRSLYCUJC-UHFFFAOYSA-N 378.331 3.620 0 40 GHAB COC(=O)CSc1nnc(CNc2cccc(OC)c2)n1C1CCCCC1 12558513 IKXKUDHSDWWSPJ-UHFFFAOYSA-N 390.509 3.669 0 40 GHAB CN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1C(F)(F)F 12784866 ZQWQJJJQOKOJOG-UHFFFAOYSA-N 380.366 3.547 0 40 GHAB Cc1ccc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1F 12944869 MGEGBZUKVRPHHG-MDZDMXLPSA-N 380.463 3.702 0 40 GHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccc(C)c(Cl)c1 12995823 MONMSTMUVLMUJG-UHFFFAOYSA-N 383.879 3.866 0 40 GHAB Clc1ccc(Cc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 13483490 KDASAHSHWGTDIO-UHFFFAOYSA-N 380.864 3.828 0 40 GHAB CCOc1cc2c(cc1OCC)CN(Cn1nc(C3CC3)n(C)c1=S)CC2 14182892 HVZISPFEBPBTTE-UHFFFAOYSA-N 388.537 3.642 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2C(=O)CCC2=O)cc1 15326619 UYVALCHCUCMYQW-UHFFFAOYSA-N 377.444 3.583 0 40 GHAB COc1cc(/C=C2/SC(=N)NC2=O)ccc1OC(=O)c1ccccc1Cl 16196097 BHSMJDOPXRHPRG-OQLLNIDSSA-N 388.832 3.706 0 40 GHAB Cc1cccc2c3c([nH]c12)CCN(C(=O)CCn1nc(C(F)(F)F)cc1C)C3 19236562 VXGNKWRKGPVSOH-UHFFFAOYSA-N 390.409 3.975 0 40 GHAB COc1cccc(CN2C[C@@H](c3cc(=O)[nH]c(C)n3)[C@H](c3ccccc3F)C2)c1 19285537 GPILUASWEBKLRA-VQTJNVASSA-N 393.462 3.609 0 40 GHAB CCCC(=O)N1[C@H]2CC[C@@H]1Cc1c2cnc2cc(-c3ccccc3OC)nn12 19501014 DQJJMRYBRHSOFA-KDOFPFPSSA-N 376.460 3.793 0 40 GHAB Cc1noc(CCC(=O)N2CCC[C@H]2c2ccc(Cc3ccc(F)cc3)cn2)n1 19688512 NXTZAYZBDPNYGI-FQEVSTJZSA-N 394.450 3.799 0 40 GHAB Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccc(C)o3)N3CCCC3)oc2c1 21659786 CVAZFQDJYJDTJT-QGZVFWFLSA-N 380.444 3.570 0 40 GHAB CN(C)CCNCc1cc(Br)ccc1OCc1ccc(F)cc1 22075545 XUWCMNOWPKQRTO-UHFFFAOYSA-N 381.289 3.818 0 40 GHAB CCOc1cccc(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 22391238 FLVJJWAHRHJIKZ-UHFFFAOYSA-N 390.505 3.613 0 40 GHAB CN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C1CCCCC1 22531829 TYQXGOZZJQPWFS-UHFFFAOYSA-N 384.929 3.529 0 40 GHAB CS(=O)(=O)Cc1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1 24471200 LKMBQKVCACJGFO-UHFFFAOYSA-N 397.418 3.843 0 40 GHAB CCn1c(SCC(=O)N[C@@H](C)c2cccs2)nc2ccsc2c1=O 24766266 OUTYBUOPBYNMMP-JTQLQIEISA-N 379.532 3.509 0 40 GHAB COc1ccc(S(=O)(=O)Oc2cc(C)c(Cl)cc2C(C)C)cc1C(N)=O 26751020 MWAQAFVTIGHMCS-UHFFFAOYSA-N 397.880 3.647 0 40 GHAB COC(=O)c1cn(CC(=O)Nc2ccccc2N2CCCC2)c2ccccc12 28009112 PCJJHCURODFRTK-UHFFFAOYSA-N 377.444 3.667 0 40 GHAB C[C@@H](Cn1cc(Br)cn1)C(=O)NCc1cccc(C(F)(F)F)c1 32610825 MMJUGPCKMFXWEP-JTQLQIEISA-N 390.203 3.617 0 40 GHAB COc1ccc(C(=O)CCC(=O)OCc2nc3ccccc3nc2C)cc1OC 32947315 MCGCZUBPUCECOJ-UHFFFAOYSA-N 394.427 3.662 0 40 GHAB COc1ccccc1[C@@H](CNC(=O)c1c2c(nc3ccccc13)CCC2)N(C)C 32983085 LGARSTKSWWFRTO-OAQYLSRUSA-N 389.499 3.765 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)c1cccn1C)CC2 35335098 SUQPKHLJDMGUOH-DEOSSOPVSA-N 390.483 3.873 0 40 GHAB COc1ccc(OCC(=O)NCc2ccccc2CN2CCCC[C@H]2C)cc1 36390777 SLQGTVYXPIEOFU-GOSISDBHSA-N 382.504 3.765 0 40 GHAB O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCCN(C(=O)c2ccco2)C1 40040729 GQXIRGCVSHTEBR-GFCCVEGCSA-N 387.486 3.956 0 40 GHAB CCCc1ccc(-c2cc(NC(=O)C3CCN(C(=O)OCC)CC3)[nH]n2)cc1 40150235 NCMQIZVOQQZXCX-UHFFFAOYSA-N 384.480 3.836 0 40 GHAB Cc1ccc(SCC(=O)N2C(=O)[C@@H]3CCCCN3C(=O)c3ccccc32)cc1 40386418 UCLOTDUYGZZOKA-IBGZPJMESA-N 394.496 3.655 0 40 GHAB Cc1cccc(-n2c(C)nc3nc(N4CCC(C)CC4)[nH]c(=O)c3c2=S)c1 40386879 BWNPMELMTJKBRU-UHFFFAOYSA-N 381.505 3.691 0 40 GHAB COCc1cccc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)c1 44573962 XNNBUDOWJWXNBO-CQSZACIVSA-N 392.293 3.988 0 40 GHAB Cc1cc(C)c(NC(=O)Cn2ncc(-c3ccc(Cl)cc3)nc2=O)c(C)c1 44804113 XKLSSZIFZVPGAS-UHFFFAOYSA-N 382.851 3.523 0 40 GHAB O=C(NCCNC(=O)c1cccc2ccccc12)c1nc2ccccc2s1 44921780 ZOHAIWUJLPQEMT-UHFFFAOYSA-N 375.453 3.609 0 40 GHAB COc1cc(CNCc2ccc(F)c(Br)c2)cc(OC)c1OC 48324796 WOYWDLRYPUHRID-UHFFFAOYSA-N 384.245 3.904 0 40 GHAB C[C@H]1CN(Cc2ccccc2CNC(=O)CCCc2ccccc2)C[C@H](C)O1 48358226 LSLWCZOSXVAVIC-PMACEKPBSA-N 380.532 3.935 0 40 GHAB COc1cc(OC)cc(-c2nc(-c3nnn(Cc4ccc(F)cc4)c3C)no2)c1 49410240 WMHKGQFYGXETQF-UHFFFAOYSA-N 395.394 3.508 0 40 GHAB COc1ccc(-c2noc(CS(=O)(=O)[C@H]3CCCc4ccccc43)n2)cc1 52436506 NSSTVLRFXREUGI-SFHVURJKSA-N 384.457 3.738 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2c(Cl)nc3ccccn23)o1 54828628 XEUDSJVLXGSLPM-YPMHNXCESA-N 379.869 3.525 0 40 GHAB CC(C)c1noc([C@H](C)S(=O)(=O)Cc2ccc(F)c(Br)c2)n1 55207528 CARSIBAHTHZENV-VIFPVBQESA-N 391.262 3.771 0 40 GHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCC(Oc2ccccc2)CC1 55764055 CZWHMPXCERXIRU-UHFFFAOYSA-N 395.434 3.878 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2ccc(Cl)cc2F)c(-c2ccc(F)cc2)n1 57477868 REXCSEKXIQOORR-UHFFFAOYSA-N 389.789 3.789 0 40 GHAB CCc1cc(=O)n(CC(=O)NCCC2=CCCCC2)c(-c2cccc(F)c2)n1 57508127 DVFBHDKBDDRSQD-UHFFFAOYSA-N 383.467 3.619 0 40 GHAB O=C1CCCc2cc(S(=O)(=O)Oc3cccc(C(F)(F)F)c3)ccc2N1 58367753 UBJVGAACQDBISJ-UHFFFAOYSA-N 385.363 3.748 0 40 GHAB CCOc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1 59294506 ADKYZCGDCVSAGT-UHFFFAOYSA-N 379.445 3.812 0 40 GHAB C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)c1nc2ccccc2[nH]1 62502210 REKAKLHKQUILRU-HNNXBMFYSA-N 383.471 3.536 0 40 GHAB Cc1nc(-c2ccc(CCNC(=O)[C@H]3Cc4ccccc4C(=O)O3)s2)cs1 65530568 BFVFNZRUPJTEAC-QGZVFWFLSA-N 398.509 3.620 0 40 GHAB CCCCOc1ccc(C(=O)OCC(=O)NCc2cccc(Cl)c2)cc1 67197686 LEYIFBASVDKCFY-UHFFFAOYSA-N 375.852 3.992 0 40 GHAB COc1ccc(OCCS(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1 70637788 VJEJYJKCIMUMGZ-UHFFFAOYSA-N 398.893 3.779 0 40 GHAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3cccc(C)c3C)c2C)c1 71327163 IQIHCNGXJYNFGB-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB CCc1ccc(Oc2cc(N3CCC(C(=O)N[C@@H](C)CC)CC3)ncn2)cc1 71328240 QAGDOCMTNWEHDJ-INIZCTEOSA-N 382.508 3.962 0 40 GHAB O=C(COc1ccc(Cl)cc1)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 77197787 SEIXQUCGCIJJCH-SNVBAGLBSA-N 389.761 3.527 0 40 GHAB Cc1nc(CCC(=O)NC[C@@H](CCO)c2ccccc2)oc1-c1ccccc1 79066990 SULWCCRKZYIMNC-HXUWFJFHSA-N 378.472 3.865 0 40 GHAB C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 89448762 BMBIINPKHHNGLJ-WMQCIHAUSA-N 386.536 3.716 0 40 GHAB Cc1nnc2n1C[C@@H](C(=O)N1CCCC[C@H]1c1nc3ccccc3s1)CC2 89740847 YFYKMUYBBMMLMA-HOCLYGCPSA-N 381.505 3.512 0 40 GHAB COc1cccc(NC(=O)N2CCCSC[C@@H]2CN2CCCCC2)c1OC 90701762 VYTVXURJHWCHIX-INIZCTEOSA-N 393.553 3.529 0 40 GHAB COc1ccc(NC(=O)CN2CCC(Oc3cccc(C)n3)CC2)cc1Cl 95462513 LEOBDNBIUTWQFZ-UHFFFAOYSA-N 389.883 3.534 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1NCCc1ccccc1F 95941086 LEIPKDFYKZFDKJ-YZGWKJHDSA-N 392.515 3.762 0 40 GHAB COCCCN1Cc2cccc(NS(=O)(=O)c3ccc(Cl)cc3C)c2C1 96013481 FQTMEESDZCRROW-UHFFFAOYSA-N 394.924 3.801 0 40 GHAB O=C(C1c2ccccc2Oc2ccccc21)N1CCC(Oc2cccnn2)CC1 96102917 SFVFCAJEHDMDMU-UHFFFAOYSA-N 387.439 3.784 0 40 GHAB COc1cc(OC)cc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 96256734 RNRKAJJDRGDPDU-UHFFFAOYSA-N 387.823 3.679 0 40 GHAB O=C(Nc1ccc(F)c(F)c1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 96820696 ICYZZCIJLDTHPQ-LDADJPATSA-N 393.353 3.848 0 40 GHAB CCc1ncc(C(=O)/N=c2\[nH]c3ccc(Br)cc3n2CC)s1 97032839 QSRAKUAJUBNDPE-UHFFFAOYSA-N 379.283 3.512 0 40 GHAB O=C(c1ccc2[nH]ccc2c1)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101119665 YNGLXFGDFXGBMI-ROUUACIJSA-N 394.496 3.777 0 40 GHAB COc1ccc(-c2nc(CC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)cs2)cc1OC 101628625 GJCIGNXQKSICTH-OFQRWUPVSA-N 384.501 3.698 0 40 GHAB O=C1C[C@H](N2CCc3c([nH]c4ccc(Cl)cc34)C2)C(=O)N1c1ccccc1F 102338213 AEKZCSFBYWCCGC-IBGZPJMESA-N 397.837 3.651 0 40 GHAB COC(=O)c1c(NC(=O)CCc2ccc3c(c2)OCO3)sc2c1CCCC2 105664418 DCMGIQNFBICOBB-UHFFFAOYSA-N 387.457 3.714 0 40 GHAB CC(C)Sc1ccc(CC(=O)NC[C@@H]2CCCN2c2nccs2)cc1 206778249 OOQNSDOTOINYLF-INIZCTEOSA-N 375.563 3.971 0 40 GHAB COc1cc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc(OC)c1OC 219297989 NKDQERKJOHKCPD-OAHLLOKOSA-N 387.476 3.920 0 40 GHAB COc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(Br)cc1 219681751 PSQCAZPZOXZXQA-CQSZACIVSA-N 392.293 3.974 0 40 GHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1cccnc1 222867176 NOWNNDMLGDNUTC-PMACEKPBSA-N 377.517 3.958 0 40 GHAB CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccco1 223190900 CNUJKWNWCSYBHQ-JOCHJYFZSA-N 394.446 3.695 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 223578857 NCZGQXAGVFKRSV-LJQANCHMSA-N 382.504 3.707 0 40 GHAB COc1cccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c1 224690552 UEIDTFHBKASQAT-UHFFFAOYSA-N 398.569 3.572 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 225010848 XYCGOKHPAHFTBC-SFHVURJKSA-N 382.504 3.571 0 40 GHAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1CCCNc1ccccc1 225034747 LNBXIOJXIDFQBZ-UXHICEINSA-N 377.517 3.884 0 40 GHAB O=C(c1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1)N1CCCCC1 225377717 SOQKITTYTXMGSU-UHFFFAOYSA-N 397.500 3.528 0 40 GHAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)c1ccc(OC(F)(F)F)cc1 225571903 SEHPAIQKVZJNNY-OAHLLOKOSA-N 388.455 3.533 0 40 GHAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1c(F)cccc1F 225739816 NTODOEQTUDRSPB-UHFFFAOYSA-N 393.187 3.681 0 40 GHAB CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2nc3ccccc3[nH]2)c1 257203183 AOZHFNQDSUVFRJ-UHFFFAOYSA-N 385.471 3.617 0 40 GHAB O=S(=O)(c1cccnc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257221566 DPPVGKVAYGDPPT-IBGZPJMESA-N 383.473 3.576 0 40 GHAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3ocnc3C)o2)c1 257248910 JFTVLHHBKWOWIU-SFHVURJKSA-N 381.432 3.938 0 40 GHAB O=C(c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1)N1CCCCC1 408978052 XYBNPMQUVQCNCT-UHFFFAOYSA-N 391.452 3.723 0 40 GHAB COC(=O)COc1ccccc1/C=C1\SC(=O)N(CCc2ccccc2)C1=O 409005034 CXLRTIGNBUODNG-AQTBWJFISA-N 397.452 3.517 0 40 GHAB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)OCC)c(OC)c2)c2ccccc21 409132825 LUSSORMROJUDME-AQTBWJFISA-N 395.455 3.934 0 40 GHAB Cc1nn(CC(F)(F)F)c(C)c1Cc1nc([C@@H]2CCOc3ccccc32)no1 544734487 YGYOBVRTURKAGM-CQSZACIVSA-N 392.381 3.950 0 40 GHAB O=C(c1ccccc1)N1CC[C@@H](CS(=O)(=O)c2ccc(Cl)cc2Cl)C1 575433310 NDBJEWNKBSYKMZ-CYBMUJFWSA-N 398.311 3.929 0 40 GHAB CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 625101296 CHANLESVMIMYCT-MRXNPFEDSA-N 393.471 3.909 0 40 GHAB C[C@@H](NC(=O)N=c1[nH]nc([C@@H]2CCCO2)s1)c1cccc(C(F)(F)F)c1 640740375 SJRLQQQJEMWSKU-SKDRFNHKSA-N 386.399 3.713 0 40 GHAB O=C(N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1coc(C2CCC2)n1 653935424 OTEONGKVDYESDQ-AWEZNQCLSA-N 398.413 3.829 0 40 GHAB CN(Cc1ccc(-n2cccn2)cc1)c1ncccc1C(=O)N1CCCCC1 1529160063 XLXGDULYJLUGJA-UHFFFAOYSA-N 375.476 3.530 0 40 GHAB COc1ccc(Cn2cc(N=c3cc[nH]c(-c4ccc(OC)cc4)n3)cn2)cc1 1651047951 NKFZDQBHJFHBCP-UHFFFAOYSA-N 387.443 3.571 0 40 GHAB Fc1cc(F)c2nc(N3CC(Cn4cc(Br)cn4)C3)sc2c1 1889191930 MXWBGTGVEYKDKY-UHFFFAOYSA-N 385.237 3.670 0 40 GHAB C[C@@H]1CN(C(=O)CC2=CCCCC2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 2055729762 HVEBYVALOVCORP-DHJUGAMNSA-N 397.519 3.697 0 40 GHAB O=C([C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)N1CCC(F)(F)CC1 2298188684 KBLRRPKNCZJZTR-GFCCVEGCSA-N 377.357 3.575 0 40 GHAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(I)cc1 682377 WKQFOHZEBKKDAR-UHFFFAOYSA-N 387.242 3.709 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(COc2ccc(F)cc2)o1 875966 BFFPESDEYHARQL-STQMWFEESA-N 379.457 3.669 0 40 GHAB CN(C)c1ccc(C(=O)N2N=C(C3CCCCC3)C[C@]2(O)C(F)(F)F)cc1 979776 PMAJCYXPJYJKFR-SFHVURJKSA-N 383.414 3.786 0 40 GHAB COc1ccccc1NC(=S)NC(=O)c1ccc(C)c(Br)c1 1004109 LESVAPONDWCLDZ-UHFFFAOYSA-N 379.279 3.893 0 40 GHAB Cc1cccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2cccnc2)c1C 1328607 FOJSHIUWQZLNFD-UHFFFAOYSA-N 395.532 3.953 0 40 GHAB CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)OC)CC2=O)cc1 2190551 HAGCQLDYPPSAPG-KRWDZBQOSA-N 394.471 3.807 0 40 GHAB COc1cc(-c2nnc3sc(CCc4ccccc4)nn23)cc(OC)c1OC 2430172 XIYVWDRULHSICZ-UHFFFAOYSA-N 396.472 3.664 0 40 GHAB COc1ccc(CC(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 3621450 OKVWTSFRPRROGW-UHFFFAOYSA-N 381.457 3.958 0 40 GHAB Cc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(F)cc4)nn23)cc1 4164722 OKGHCRYPKGNQCO-UHFFFAOYSA-N 393.447 3.970 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CCCOc2cccc(C)c2)c1 4244490 WSULTFRQBANJFO-KRWDZBQOSA-N 383.444 3.927 0 40 GHAB COc1ccc(-c2c(C)c3cc(OC(=O)N(C)C)ccc3oc2=O)cc1OC 4340767 ZJIZNRNXNQOSHC-UHFFFAOYSA-N 383.400 3.846 0 40 GHAB biogenic Cc1ccc(C)c2sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)nc12 4496321 FLUOXUOVBPNWME-UHFFFAOYSA-N 392.477 3.855 0 40 GHAB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)NCc1ccc(F)cc1 4739537 SAIGFYXECQPPNY-UHFFFAOYSA-N 392.430 3.823 0 40 GHAB COc1ccccc1[C@H](c1nnnn1CCc1ccccc1)N1CCCCCC1 4968374 XJGLRLPMNQYYBO-JOCHJYFZSA-N 391.519 3.890 0 40 GHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1ccc(Cl)cc1Cl 5191406 BVJBFLJRCNTNJE-UHFFFAOYSA-N 390.270 3.869 0 40 GHAB Cc1ccc2nc(COC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc(=O)n2c1 5193387 QXZWCZDBAKPIRD-UHFFFAOYSA-N 387.439 3.720 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)c1C 5326328 JRCXGZSTDIJDKV-ZDUSSCGKSA-N 382.416 3.718 0 40 GHAB O=C(Nc1ccc(Cc2ccc(NC(=O)n3ccnc3)cc2)cc1)n1ccnc1 5387482 AOXUNDGKLICBLS-UHFFFAOYSA-N 386.415 3.831 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2CCCCS2(=O)=O)c1 5439234 IGNGXJDASZEVGI-UHFFFAOYSA-N 398.406 3.888 0 40 GHAB O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(Br)o1 5463839 XXJHOMRXSXOFNC-INIZCTEOSA-N 392.249 3.953 0 40 GHAB COC(=O)CSc1sc(=S)sc1SCC[n+]1ccccc1 5510945 XHTJJGIZKDNAEB-UHFFFAOYSA-N 376.595 3.884 0 40 GHAB COc1ccc(C2=NN(C(=O)c3cccc(C)c3)[C@](O)(C(F)(F)F)C2)cc1 5747747 ZPKDVOCGLJIEGV-GOSISDBHSA-N 378.350 3.505 0 40 GHAB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)CC1 6308149 ZYCYFUJYNDIUFV-XNTDXEJSSA-N 378.881 3.635 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3ccccc3c2)cc1 6460441 WRSQETOSNJNVES-AWEZNQCLSA-N 376.412 3.982 0 40 GHAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2cc4c(cc2Cl)OCO4)N3)C1 6732679 VUMVLCKGZYNDIB-OAHLLOKOSA-N 377.853 3.547 0 40 GHAB COc1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)NC2CCCC2)cc1 6756628 DNSLSMSAPWMIIR-RFAWQRTRSA-N 390.483 3.943 0 40 GHAB Cc1cc(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c(C)n1C 7386306 ALPAGMWDUQCLRO-UHFFFAOYSA-N 377.469 3.963 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ncnc2sccc12 8040148 RSURRTIZMRPIHV-NSHDSACASA-N 384.486 3.547 0 40 GHAB Cc1cccc(N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c1C 8178121 SWDLSPJRASORFB-UHFFFAOYSA-N 394.906 3.829 0 40 GHAB Cc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc(Cl)c1 8433483 FTKAWEJLGHCWKI-UHFFFAOYSA-N 388.851 3.939 0 40 GHAB COC(=O)c1ccc(OCC(=O)Nc2ccccc2SC(F)F)c(OC)c1 8709451 ATOHVJWMZSBGSU-UHFFFAOYSA-N 397.399 3.814 0 40 GHAB Cc1cc(C)n(-c2ccc(SCC(=O)N[C@@H]3CCCc4ccccc43)nn2)n1 8752582 OEQGPSDDFIKEGW-GOSISDBHSA-N 393.516 3.565 0 40 GHAB O=S(=O)(NCCCOc1ccccc1F)c1cc(Cl)ccc1Cl 9051299 KALZKXIRTYIGEZ-UHFFFAOYSA-N 378.252 3.880 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc3ncsc3c2)c1 9477212 GQMWGVXXBIDXSD-UHFFFAOYSA-N 389.502 3.579 0 40 GHAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1Cl 11427697 RGKAJDSCVVHSCS-UHFFFAOYSA-N 387.288 3.609 0 40 GHAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)cc1 11512558 GMDQGLKIHSZVOT-MRXNPFEDSA-N 381.472 3.837 0 40 GHAB CC(=O)N1CCN(S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 11565989 SMJSWZGFSUXONE-UHFFFAOYSA-N 394.581 3.910 0 40 GHAB COc1ccc2nc(NC(=O)C[C@@H](NC(C)=O)c3ccc(C)cc3)sc2c1 11807042 MXCRDBKVUKWZIY-QGZVFWFLSA-N 383.473 3.819 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(F)cc(F)c3)n2)o1 12050936 VMKHWPDFDPDYMU-UHFFFAOYSA-N 377.372 3.570 0 40 GHAB COc1ccc(OCC(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 12111476 WUYYFNFPXNMURA-UHFFFAOYSA-N 383.404 3.550 0 40 GHAB CCN(CC)C(=O)c1cnc(C)nc1-c1ccc(CNC(=O)C(C)(C)C)cc1 12232250 XLVZCBFOLOOJNV-UHFFFAOYSA-N 382.508 3.596 0 40 GHAB Cc1cccc(N2CCN(C(=O)CNc3ccc(Br)cc3)CC2)c1 12521906 QINJDWDYEKQUSN-UHFFFAOYSA-N 388.309 3.518 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(OC)c1 12601918 GBOGTZRWGZGRAP-RDELFYGPSA-N 377.444 3.957 0 40 GHAB CCN(CC)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1 12607216 UXOLRUQMSSEEBO-MRXNPFEDSA-N 381.476 3.533 0 40 GHAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2ccccc2)NC(=S)N1CC(C)C 12772223 FQXLNHJVNYYNEN-SFHVURJKSA-N 384.505 3.783 0 40 GHAB Cc1sc2nc([C@@H](C)Sc3nncn3Cc3ccco3)[nH]c(=O)c2c1C 12782071 IXVNELQUTRODSR-LLVKDONJSA-N 387.490 3.688 0 40 GHAB CC(C)c1ccc([C@H](C)NC(=O)C2CCN(C(=O)c3ccncc3)CC2)cc1 12851357 KEAYUPALXKKODX-KRWDZBQOSA-N 379.504 3.935 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)Nc1nc2ccccc2nc1N1CCCC1 12896068 HUQKSSABOQBXOA-UHFFFAOYSA-N 390.443 3.530 0 40 GHAB Cc1ccc(F)cc1NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 12911681 CWNSMLSELQGMLP-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB Cc1nc(-c2ccc(CNC(=O)c3ccc(N4CCCC4=O)cc3)o2)cs1 12946229 GEWUCYUZOQJRCT-UHFFFAOYSA-N 381.457 3.768 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc2ncccc12 12979816 DVYLJJPQYMEINS-UHFFFAOYSA-N 395.484 3.662 0 40 GHAB O=C(NC1CCCCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 15080918 ODSVGTLIIHZZKH-UHFFFAOYSA-N 398.956 3.967 0 40 GHAB O=C(CSc1nccn2nc(-c3ccccc3)cc12)NCCc1ccccc1 17178911 LCUIWHYBTBDAOU-UHFFFAOYSA-N 388.496 3.847 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2SC(c3cc4ccccc4oc3=O)=NC2=O)cc1 18992325 FIOUZKOYHYFHAA-QGZVFWFLSA-N 392.436 3.519 0 40 GHAB CCc1ncc(CN2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cn1 19523407 YYUVSKBWCHGGID-OAHLLOKOSA-N 390.413 3.746 0 40 GHAB CCc1nccn1C[C@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3cc2N)C1 19523538 TWWJUPLSOZVZBT-FUHWJXTLSA-N 391.519 3.618 0 40 GHAB O=C(NCc1ccccc1N1CCCC1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 19718885 LBWQMAKZSZVNRG-KRWDZBQOSA-N 397.906 3.610 0 40 GHAB Cc1nc(C2CCN(Cc3cccnc3)CC2)ncc1C(=O)Nc1ccccc1 19766273 ZNMDVBZKBDNJIQ-UHFFFAOYSA-N 387.487 3.812 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Br)cc2)cc1C 20029905 MLMKZPNMJFNAKW-GFCCVEGCSA-N 384.295 3.806 0 40 GHAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)ccc1Cl 20482364 HDDGLCYEPYQVMW-LBPRGKRZSA-N 377.824 3.931 0 40 GHAB CCSc1nnc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)s1 21351830 KSGRSXUVIFFVCE-UHFFFAOYSA-N 381.866 3.971 0 40 GHAB CN(C)[C@@H](CNCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccco1 22038387 BQMLKBGPKLNYML-AWEZNQCLSA-N 389.805 3.783 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 22616646 XAWDXASMIDGRGI-UHFFFAOYSA-N 390.911 3.928 0 40 GHAB CN(C)c1nc(-c2ccsc2)ccc1C(=O)N1CCN(C2CCCCC2)CC1 23380415 LSAXATQKCCVGPF-UHFFFAOYSA-N 398.576 3.967 0 40 GHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(Nc2ncccn2)c1 24773525 GXHKRUQTYDCBKJ-UHFFFAOYSA-N 398.470 3.737 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2cc(C)nc3c2nc2n3CCCCC2)cc1C 24842231 BUDQDSLANVCJSR-UHFFFAOYSA-N 391.475 3.985 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1 24959454 LHCOTMZFQAQCTQ-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB COc1ccc(CCNC(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1OC 25228908 XDIVIIPWINYKKW-UHFFFAOYSA-N 396.390 3.678 0 40 GHAB COc1ccc(CNC(=O)c2ccc(COc3ccc4c(c3)OCO4)o2)cc1 28223668 GFSMAQZFPRBMCY-UHFFFAOYSA-N 381.384 3.526 0 40 GHAB COc1cc(CN(C)C(=O)c2cc(-c3ccco3)[nH]n2)ccc1OC(F)F 28417681 NAZQGCSYLQJWRM-UHFFFAOYSA-N 377.347 3.552 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1N1CCCC1=O 30752211 HRJCLYDFUUWXAE-UHFFFAOYSA-N 388.489 3.746 0 40 GHAB CNC(=O)COc1cccc(NC(=O)c2cccc3c4c([nH]c23)CCCCC4)c1 31519775 ASBBUKUKQUYAPJ-UHFFFAOYSA-N 391.471 3.814 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc4ccccc24)C(=O)N3)cc1 31816961 CAPUYTWUAFPYQJ-LJQANCHMSA-N 397.438 3.929 0 40 GHAB CC[C@H](C)N1C(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2C1=O 32123829 IKSZQDJKVSJPKF-AWEZNQCLSA-N 389.455 3.535 0 40 GHAB biogenic O=S(=O)(NCc1cccnc1Oc1cccc(F)c1)c1cc(F)cc(F)c1 32437813 SYVLJBYAEQJDLR-UHFFFAOYSA-N 394.374 3.770 0 40 GHAB Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccccc1Cn1ccnc1 32900560 AEXJPAUOXXFKGT-UHFFFAOYSA-N 392.484 3.815 0 40 GHAB Cc1nn(C)c2ncc(NC(=O)c3ccc(COc4ccccc4F)o3)cc12 32930065 IRPOGHXWMCVFPB-UHFFFAOYSA-N 380.379 3.840 0 40 GHAB CSc1ccccc1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 35316311 KWUFPXXYFDUWNB-UHFFFAOYSA-N 391.301 3.615 0 40 GHAB O=C1C[C@@H](C(=O)Nc2ccc(F)cc2)n2ncc(-c3ccc(Cl)cc3)c2N1 35685227 IOVZURSFWSEJMA-INIZCTEOSA-N 384.798 3.865 0 40 GHAB CC(C)Cc1nnc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)s1 35686438 XDDPRFBCOVYNKE-UHFFFAOYSA-N 384.509 3.803 0 40 GHAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc3c(c1)OCCO3)CC(O)=N2 36360250 LPHDSXJQUUEYEY-LBPRGKRZSA-N 397.822 3.519 0 40 GHAB C[C@H]1Nc2ncnn2[C@@H](c2ccccc2F)[C@H]1C(=O)Nc1ccc(Cl)cc1 36701627 KYYPOJIBWZWYNG-NVGVWMPQSA-N 385.830 3.729 0 40 GHAB C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 40104582 ZUOCTNLGAFMCPS-INIZCTEOSA-N 381.476 3.771 0 40 GHAB O=C(CCSc1nnc2ccccn12)Nc1ccc(Br)cc1 40127240 BCPQYXROKCEERF-UHFFFAOYSA-N 377.267 3.613 0 40 GHAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 44911944 IRRBIVYSPHAVBF-UHFFFAOYSA-N 377.444 3.977 0 40 GHAB O=C(Cc1cc2ccccc2[nH]c1=O)Nc1ncc(Cc2ccccc2)s1 47071980 SWBPNJHBGAMLGU-UHFFFAOYSA-N 375.453 3.757 0 40 GHAB CC(C)(C)OC(=O)NC1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 47524092 ATDLUAZUFUWOKE-UHFFFAOYSA-N 386.414 3.764 0 40 GHAB C[C@H]1CN(C(=O)C2CCN(C(=O)Nc3cccc4ccccc34)CC2)C[C@@H](C)O1 47698177 SQQDOTDOLZJMAK-CALCHBBNSA-N 395.503 3.720 0 40 GHAB CC(=O)c1cccc(NC(=O)CSc2cc(-c3ccccn3)nc(C)n2)c1 49007118 ZDZDRHKGQXHJEC-UHFFFAOYSA-N 378.457 3.780 0 40 GHAB COc1ccc(-c2cc(C(=O)NCc3ccc(OC(C)C)cc3)n[nH]2)c(OC)c1 57477397 BJVROXUEEDPFKO-UHFFFAOYSA-N 395.459 3.811 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3Cl)n2)cc1C 57486139 FIWFZGHZSDENDB-UHFFFAOYSA-N 399.853 3.636 0 40 GHAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2ccc(O)cc2)CC1 58019338 RLKARZWTUBDQBN-AWEZNQCLSA-N 384.867 3.979 0 40 GHAB O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 68825671 SVNZJBGHLHLVEY-LBPRGKRZSA-N 399.390 3.871 0 40 GHAB CCC(CC)C(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 72341499 HSTKDKJJHICDJZ-KRWDZBQOSA-N 385.512 3.996 0 40 GHAB NC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccnc3ccccc23)C1 72352553 IZYLCPYCVLQAKU-OAHLLOKOSA-N 388.496 3.933 0 40 GHAB Cc1nc(CN(C)Cc2ccc(F)cc2)nc2c1CCC(=O)N2CCC(C)C 72370992 YRWBBFLJAGTDKG-UHFFFAOYSA-N 384.499 3.881 0 40 GHAB COc1ccc(OCCc2cc([C@H]3CCN(Cc4cnc(C)s4)C3)n[nH]2)cc1 72371793 GNVDWOXSRZLYPJ-INIZCTEOSA-N 398.532 3.794 0 40 GHAB COCCn1cc(CC(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21 79480820 CTAAJJIGPCVNTE-UHFFFAOYSA-N 393.462 3.810 0 40 GHAB CN(C)c1cccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2ccoc2)c1 83855360 DORPPONDFFXDLW-UHFFFAOYSA-N 375.428 3.801 0 40 GHAB COc1ccc2c(c1)OC[C@H](C(=O)Oc1ccc([C@](C)(O)C(F)(F)F)cc1)C2 84651573 XJMHGCWIAGLCCQ-YJYMSZOUSA-N 396.361 3.622 0 40 GHAB Cc1nn(C)c(C)c1-c1nnc2sc(-c3cccc(C(F)(F)F)c3)nn12 95473784 NLYLEQABBASJGN-UHFFFAOYSA-N 378.383 3.889 0 40 GHAB Cc1cc(CCC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)ccc1Cl 96121926 JVUICFBUUCSNEL-UHFFFAOYSA-N 383.941 3.539 0 40 GHAB O=C(CCn1cnc2ccccc2c1=O)NCc1ccccc1-c1ccsc1 96122930 BGGKDSGWXHCDJG-UHFFFAOYSA-N 389.480 3.832 0 40 GHAB c1ccc2oc(-c3nnc4sc(Cc5ccc6c(c5)OCCO6)nn34)cc2c1 96193996 IDGYLUDLXLKQGL-UHFFFAOYSA-N 390.424 3.961 0 40 GHAB Fc1ccc(Cc2nc3nccc(-c4ccc5c(c4)OCCCO5)n3n2)cc1 96345328 BESGTKUWLRLIMB-UHFFFAOYSA-N 376.391 3.683 0 40 GHAB Cc1cc(C(C)(C)C)oc1C(=O)N1[C@@H]2CC[C@@H]1[C@]1(C2)NC(=O)c2ccccc2N1 100119036 ZIBZBVJSCGFPGN-HBAYXTBCSA-N 393.487 3.814 0 40 GHAB COC(=O)c1cc(F)ccc1CSc1nnc(-c2cccnc2)n1C1CC1 103349729 SAGHTYVXNULYGX-UHFFFAOYSA-N 384.436 3.893 0 40 GHAB CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)CC2=O)cc1 103716234 YJQPECSLNAJDPW-GOSISDBHSA-N 378.472 3.954 0 40 GHAB CN(c1ccc(C(=O)NCc2ccccc2F)cc1)S(=O)(=O)c1ccccc1 113938470 NSYCRWSWQRJHKZ-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB CN(CCOc1ccc(F)cc1)C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 141568572 BVTBWCJOLPHSMU-HXUWFJFHSA-N 390.842 3.900 0 40 GHAB COc1cccc(CCCNC(=O)COc2ccc(Br)c(C)c2)c1 218825607 LNVQYUHXQVEESV-UHFFFAOYSA-N 392.293 3.894 0 40 GHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219375056 DQOFOQPSHIENLK-QGZVFWFLSA-N 387.476 3.803 0 40 GHAB O=C(NCCCN1CCCc2ccccc21)C1CCN(Cc2ccccc2)CC1 219404738 OQIGIOOYMWARHG-UHFFFAOYSA-N 391.559 3.858 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 223044379 PQWLLNIYMJSICD-IBGZPJMESA-N 382.504 3.707 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1cc(C)ccc1C 224622491 HRIIDPBLOYYPMI-OAQYLSRUSA-N 396.531 3.668 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 225380368 JPOKWCXJIMXFJD-MOPGFXCFSA-N 396.531 3.878 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1C 225419398 FBKBPGVGSLKPAM-RBUKOAKNSA-N 396.531 3.878 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccc(C)cc2C)[C@@H](C)C(=O)NC(C)C)cc1 225534041 KTFDJFHNZYBXHV-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB CC(C)NC(=S)Nc1nc(N2CCCCCC2)cc(N2CCC[C@@H](C)C2)n1 225888920 JFGYUVSZAMVMDZ-MRXNPFEDSA-N 390.601 3.788 0 40 GHAB Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@@H](CCC[C@H]3N(C)Cc3ccco3)C2)c1 248116019 LMMGCAKKQWYAKJ-IOMROCGXSA-N 388.533 3.509 0 40 GHAB CC1(C)[C@H](NC(=O)CCO)[C@@]23CCO[C@H](c4ccc5ncccc5c4)[C@H]2C[C@@H]1C3 257233133 GNYKQBNECSWGOT-OPCLUDPOSA-N 394.515 3.616 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257246726 IVOILMCMBLPASR-GOSISDBHSA-N 381.407 3.785 0 40 GHAB C[C@H]1CCCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NC3CC3)n2)C1 260708122 DDXAITUHCWKIDD-LSDHHAIUSA-N 388.585 3.541 0 40 GHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC3)ccc2Cl)cc1C 408547281 YFXAZSPULBWUBH-UHFFFAOYSA-N 378.881 3.650 0 40 GHAB CCCCNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 409126614 LPIGNVYACGLQRG-UHFFFAOYSA-N 394.924 3.760 0 40 GHAB O=C(NCc1cnn(CC(F)(F)F)c1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F 568621759 HTHLHDWCNQMXIV-TYUFSLCMSA-N 383.336 3.676 0 40 GHAB CO[C@H]1CCCN(C(=O)/C=C/c2c(C)nn(C)c2C)[C@H]1Cc1ccc(C)cc1 585290090 RVHGIKICLRPGBG-WYCPQIHASA-N 381.520 3.607 0 40 GHAB O=C(O)c1cnc(C2CCN(C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)s1 630245600 LIVNZQQNMKUYIJ-NWDGAFQWSA-N 390.427 3.916 0 40 GHAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)c1cccnc1)C2 643578159 IKVGMMLJFVEPQJ-RTWAWAEBSA-N 378.520 3.781 0 40 GHAB CCOc1cc2c(cc1CNC(=O)N1Cc3ccc(OC)cc3C1)O[C@@H](C)C2 654356033 KNMJGICPTHYDHN-AWEZNQCLSA-N 382.460 3.643 0 40 GHAB COc1ncc(Br)cc1CN[C@@H](C)c1cccc(NC(C)=O)c1 660180277 XVLHKSXDYPTQTG-NSHDSACASA-N 378.270 3.662 0 40 GHAB CCCNS(=O)(=O)c1ccc(NC(=O)N2CC3CC2(c2ccccc2)C3)cc1 666195078 HAJQFUOCOGJGCT-UHFFFAOYSA-N 399.516 3.528 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 670417798 DYQWLHYPBQPLPW-LJQANCHMSA-N 390.480 3.624 0 40 GHAB COc1ccc(C(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)c(Cl)n1 1521783480 MACNLTHHZFPOBA-UHFFFAOYSA-N 393.896 3.758 0 40 GHAB CCc1ccc(CN2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)o1 1615132069 WPUODJXUURBVPX-QFIPXVFZSA-N 386.467 3.769 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)cc1Br 1624053490 ULDRGMXWMDGMKC-MRXNPFEDSA-N 387.277 3.745 0 40 GHAB CC(C)c1nccc(N2CCC(CN(C)c3ncnc(C4CC4)c3F)CC2)n1 1888875958 TVAJFSZUGGYMBJ-UHFFFAOYSA-N 384.503 3.759 0 40 GHAB COc1cc(-c2nnn(-c3ccccc3)c2-n2cccc2)cc(OC)c1OC 1889302853 FMRSMMFYVATPTH-UHFFFAOYSA-N 376.416 3.751 0 40 GHAB COc1ccc(CN2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1 2037841073 VNUCJNPAGVRWAF-QHCPKHFHSA-N 398.478 3.622 0 40 GHAB COc1cccc(CN2CCCC[C@H]2C2CCN(C(=O)OCCF)CC2)c1 2056225649 WNSJAZGJRGIWSI-FQEVSTJZSA-N 378.488 3.868 0 40 GHAB CCCN(CCC)c1nc(Nc2ccc(Cl)cc2)nc(N2CCOCC2)n1 842756 GOKYSBPIJCYYDE-UHFFFAOYSA-N 390.919 3.732 0 40 GHAB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1 917675 DNKHCGMJGFFBGW-UHFFFAOYSA-N 385.468 3.606 0 40 GHAB O=C(Cc1ccn(-c2ccc(F)cc2)n1)OC[C@@H]1CCN(c2ccccc2)C1 78989480 YBMPHFDGFLJLMO-QGZVFWFLSA-N 379.435 3.624 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CC(C)C)c1 79098054 VDJIGAVZVMCBKD-GOSISDBHSA-N 380.554 3.758 0 40 GHAB CC(C)N(C)C(=O)c1ccc(CNC(=O)CCOc2cccc(Cl)c2)cc1 25146893 HVPJIEKBPCIJGB-UHFFFAOYSA-N 388.895 3.906 0 40 GHAB C[C@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc(-n2ccnc2)cc1 12547617 WDPCSMVCMZHRMM-WMLDXEAASA-N 381.863 3.954 0 40 GHAB Cc1ccccc1[C@H]1CCCN1S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 107337592 YUNNPMVHEOMTMT-CDXJDZJCSA-N 375.534 3.857 0 40 GHAB CCOc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1cccnc1)=N2 6090212 HLEYAIJLNNZKMG-UHFFFAOYSA-N 385.471 3.980 0 40 GHAB CCC(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@H]1c1cccs1 6202829 SOHSQBVITSYAFK-INIZCTEOSA-N 391.518 3.597 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC(N2CCCCC2)CC1 26439346 SGQCAASQPMVUBZ-OAHLLOKOSA-N 379.932 3.626 0 40 GHAB CC(=O)Nc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)[nH]2)cc1 7604805 MGJZUYJIRONMQC-UHFFFAOYSA-N 392.444 3.772 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2sc(C)nc2C)c(C(=O)OCC)c1C 7995423 VVZBIOFDSBWCDW-UHFFFAOYSA-N 396.490 3.736 0 40 GHAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccc(F)cc4)CC3=O)c2c1 35558661 BJWPBDCRIMMIRL-INIZCTEOSA-N 379.435 3.645 0 40 GHAB COc1cccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3S2)N2CCCC2)c1 27343021 UEWPNXHDGRXGBO-FPOVZHCZSA-N 382.529 3.665 0 40 GHAB Cc1ccc(C)c(OC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 8587446 GANKPCQCFSHOPW-UHFFFAOYSA-N 384.413 3.780 0 40 GHAB COc1ccc(CN(Cc2ccc(SC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 27651509 SAYOMSOGCIRLSF-SFHVURJKSA-N 391.558 3.606 0 40 GHAB O=C(CSCc1ccc(Cl)s1)N1CCN(c2ccccc2O)CC1 44999799 AIOXOGITJMFFSR-UHFFFAOYSA-N 382.938 3.689 0 40 GHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2c(c1)N1CCCN=C1S2 2234954 JSBAREKISLIMCS-GOSISDBHSA-N 397.456 3.657 0 40 GHAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCc2ccccc2C1 3247094 WYMCZANMXDDLBC-UHFFFAOYSA-N 381.447 3.766 0 40 GHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1cc2c(cc1Cl)OCCCO2 11005077 GQIRIKOPSLQTLB-UHFFFAOYSA-N 384.823 3.643 0 40 GHAB Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 11073746 ROBORYVZAQVZJE-KRWDZBQOSA-N 387.483 3.911 0 40 GHAB CCOCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccc(Cl)cc1 3295633 UNMWSNNETKBNDP-UHFFFAOYSA-N 396.944 3.642 0 40 GHAB C[C@H](NC(=O)CSc1ccc(F)cc1)c1nc(-c2ccc(F)cc2)no1 58166382 FUBJPPDIOZTSKI-NSHDSACASA-N 375.400 3.984 0 40 GHAB Cc1ccc([C@H]2[C@H]3C(=O)N(C(C)C)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 101268064 YZTAPIFIOPKYTP-CEXWTWQISA-N 384.863 3.903 0 40 GHAB O=C(CCCc1nc(-c2cccs2)no1)N1CCO[C@H](c2ccccc2)C1 48276428 NMPJGQPSPQOIPZ-INIZCTEOSA-N 383.473 3.721 0 40 GHAB CSc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCCCC1 26115888 GNXFSSCQCXUXJG-UHFFFAOYSA-N 396.578 3.599 0 40 GHAB O=C(CNc1ccc(F)c(F)c1F)Nc1ccccc1C(=O)NC1CCCC1 12775760 MUUCMQPLFATAHA-UHFFFAOYSA-N 391.393 3.827 0 40 GHAB CN(CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1Cl 12776586 BHDFRSYXAWVKDV-UHFFFAOYSA-N 380.275 3.893 0 40 GHAB O=C(c1ccccc1F)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317292 DMSBMMHAUZWREK-UHFFFAOYSA-N 390.739 3.998 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc2oc(Nc3cc(C)ccc3OC)nc2c1 3303261 BWGQZKJFYJGQPO-UHFFFAOYSA-N 389.477 3.919 0 40 GHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)COc1ccc2ccccc2c1 12894952 FPVSGJACHYFIFO-MRXNPFEDSA-N 397.496 3.842 0 40 GHAB C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(-n2cncn2)cc1 12899557 SRJFVNPYNIHKQC-LBPRGKRZSA-N 391.258 3.830 0 40 GHAB CC(C)Cc1nc2c3ccccc3n(CC(=O)c3ccc(Cl)cc3)c(=O)n2n1 62639800 DJSDNPVIXVYHRL-UHFFFAOYSA-N 394.862 3.779 0 40 GHAB Cc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12921839 KAPCWTAZWAGJLE-UHFFFAOYSA-N 384.439 3.566 0 40 GHAB COC(=O)CN(c1ccccc1F)S(=O)(=O)c1cc(Cl)ccc1Cl 113876165 ACSKVSUGSYRWDO-UHFFFAOYSA-N 392.235 3.501 0 40 GHAB Cc1ccnc(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)n1 27972742 PIFCDBULDZLLQT-UHFFFAOYSA-N 378.219 3.577 0 40 GHAB COc1cc(NCC(=O)N2CCSc3ccccc32)c(OC)cc1Cl 12917011 KJBSMJXASNLAIV-UHFFFAOYSA-N 378.881 3.908 0 40 GHAB Cc1ccc(CCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1Cl 13013092 LOLYNCABFYSUDX-SFHVURJKSA-N 392.952 3.832 0 40 GHAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)Cn1nc(C)c2ccccc2c1=O 13023491 CJDXDUYZKOMHHB-GOSISDBHSA-N 380.488 3.751 0 40 GHAB Cc1cccc(N2C(=O)/C(=C/Nc3ccc4c(c3)OCO4)c3ccccc3C2=O)n1 13207205 AUYLCSAYDFMSIK-LDADJPATSA-N 399.406 3.759 0 40 GHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1OC 408585322 DKWOHVSKPFMEIG-UHFFFAOYSA-N 378.450 3.681 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 9217100 ASUJHQACHFQOMH-GOSISDBHSA-N 392.908 3.749 0 40 GHAB COc1cc(NC(=O)Cc2c(C)c3c(OC)cc(C)cc3oc2=O)cc(OC)c1 9252860 CCPSXIWYUHXHGY-UHFFFAOYSA-N 397.427 3.617 0 40 GHAB COc1ccc([C@H](O)c2cc3c(cc2NC(=O)c2cccs2)OCCO3)cc1 13957433 QIDIRBSXDIXZPC-FQEVSTJZSA-N 397.452 3.862 0 40 GHAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCNC1=O 4413678 KEECWHQNDVVHIG-UHFFFAOYSA-N 379.441 3.653 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1 14800233 IKNXSOAWGHALLY-IBGZPJMESA-N 392.496 3.640 0 40 GHAB Cn1c(CCCCCNC(=O)c2n[nH]c3c2CCCCC3)nc2ccccc21 96232463 REFVGXKAAVIUMO-UHFFFAOYSA-N 379.508 3.708 0 40 GHAB Cc1cccc(C)c1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408706312 ZUNOTRNBVNFWDJ-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 9575598 PQHWMNQRDCXXSH-OAQYLSRUSA-N 399.878 3.753 0 40 GHAB O=C(CNc1ccccc1N1CCCCC1)Nc1ccc(N2CCOCC2)cc1 7973119 DGYYDMUYUKYUQE-UHFFFAOYSA-N 394.519 3.564 0 40 GHAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)s1 306140671 VAHZUBYTCQIYFS-QFIPXVFZSA-N 390.512 3.651 0 40 GHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(F)cc1F 71844433 KXOGISQYECNAAB-YLJYHZDGSA-N 386.442 3.879 0 40 GHAB O=C(CCc1ccco1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 8316220 QBIAXAYQNMNAHE-UHFFFAOYSA-N 392.411 3.510 0 40 GHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2cccs2)c1 9691200 MOMIGMVQUBPPGJ-UHFFFAOYSA-N 386.498 3.918 0 40 GHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C)o1 8610059 YKWRAXSUNDYLQM-SFHVURJKSA-N 379.420 3.506 0 40 GHAB O=C(Cc1nc(-c2ccc3c(c2)OCCCO3)cs1)NCc1ccccc1 8719497 OZFPOQVTUFGGDJ-UHFFFAOYSA-N 380.469 3.830 0 40 GHAB CN(CC(=O)NCc1ccco1)c1ncnc2cc(-c3ccc(F)cc3)sc12 8728457 JOLAVVPDZDJYNY-UHFFFAOYSA-N 396.447 3.843 0 40 GHAB COc1ccc(-c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)cc1Cl 9803681 QELANOONOZVJTP-UHFFFAOYSA-N 385.836 3.996 0 40 GHAB COc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4F)cc3n2)cc1 20610090 NNOSLZKHIXVHLA-UHFFFAOYSA-N 392.390 3.586 0 40 GHAB COc1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1F 552200640 KRDZMMINZXDHKK-UHFFFAOYSA-N 382.479 3.963 0 40 GHAB O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccco1 20152420 AWLLSOFBMCMFEJ-UHFFFAOYSA-N 376.821 3.812 0 40 GHAB CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1 22621075 QDIIAAHUUJSVAZ-HXUWFJFHSA-N 382.485 3.781 0 40 GHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)c(Br)c2)NC(=S)N1 408606846 RHNVWQYHYOVIKG-CQSZACIVSA-N 383.311 3.502 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)N1CCC(c2nc3ccccc3[nH]2)CC1 24830755 XJABBOPBCWHUJM-UHFFFAOYSA-N 377.444 3.630 0 40 GHAB CCc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408555275 WHQWMSYRJFZECP-OAHLLOKOSA-N 382.485 3.708 0 40 GHAB CCOC(=O)C1CCN(c2nc3c(-c4ccc(C)cc4)csc3c(=O)[nH]2)CC1 67245894 SUWRKMUDXWPDMC-UHFFFAOYSA-N 397.500 3.740 0 40 GHAB COc1ccc(-c2cccc3nc([C@H]4CN(C5CCC5)CCN4C)cn23)cc1 306130489 JHZGKANWSVPPCW-JOCHJYFZSA-N 376.504 3.851 0 40 GHAB O=S(=O)(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1ccccc1 36099883 FLPBGIBWPIJEEK-KRWDZBQOSA-N 382.888 3.595 0 40 GHAB O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)Nc1nccs1 33012338 NZQWLBMFFBRZSQ-UHFFFAOYSA-N 378.413 3.878 0 40 GHAB Cc1nc([C@H]2CCCN(C(=O)c3cc(-c4ccc5ccccc5c4)[nH]n3)C2)n[nH]1 564867112 FIIVXUDNNFUQBB-SFHVURJKSA-N 386.459 3.676 0 40 GHAB Cc1cnc(C(=O)N2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)cn1 72362495 VZZQMTFSRGSFHB-UHFFFAOYSA-N 393.422 3.526 0 40 GHAB Cc1cccc(NC(=O)Cn2nc(Cc3ccccc3)c3ccccc3c2=O)c1 32647184 CVLZNUAOIMESDI-UHFFFAOYSA-N 383.451 3.934 0 40 GHAB COc1cccc(-c2cc(C)nc([C@H]3CCCN(C(=O)CN4CCCC4)C3)c2)c1 72370060 PYLJBPLFDYPJJL-FQEVSTJZSA-N 393.531 3.867 0 40 GHAB O=C(COc1cccc(C(F)(F)F)c1)NCC1(c2ccccc2)CCOCC1 41408031 ZYTJFMSYJYPFPO-UHFFFAOYSA-N 393.405 3.949 0 40 GHAB CSc1ccc(S(=O)(=O)Nc2nnc(SCC(C)C)s2)cc1 223501561 MDNIRADIGHYBFF-UHFFFAOYSA-N 375.566 3.809 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2Cl)cc1OC 224813251 UNJZWHQZAFBYLB-UHFFFAOYSA-N 376.261 3.836 0 40 GHAB O=C(COc1ccccc1F)NCCn1nc(-c2ccsc2)cc1C1CC1 225577492 QFHPUZHHRDLPHF-UHFFFAOYSA-N 385.464 3.823 0 40 GHAB CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 41648276 OLAOBFZCMPTTAL-UHFFFAOYSA-N 396.871 3.575 0 40 GHAB C[C@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)NC(C)(C)C)n1 225894362 DPSRZODQDDCBCW-HNNXBMFYSA-N 390.601 3.931 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3SC)ccc21 223273512 ICOCEBUWZCEPNX-UHFFFAOYSA-N 376.503 3.508 0 40 GHAB COc1cccc(CCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)c1 225554309 LESOAQLOULLMSO-UHFFFAOYSA-N 383.517 3.741 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1 222995385 IGQIQAAGDBRXLJ-LJQANCHMSA-N 382.504 3.707 0 40 GHAB C[C@@]1(O)CCN(CCCc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 514289922 NKHFBCMKLMJUTF-SONWIMMPSA-N 392.543 3.712 0 40 GHAB biogenic,in-vitro CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 223001145 RRJDDJHAPBCHQQ-FQEVSTJZSA-N 382.504 3.544 0 40 GHAB CCCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccncc4)o3)CC2)no1 257213094 CGDQOWXDVHFMFV-SHTZXODSSA-N 395.463 3.776 0 40 GHAB Cc1ccc(Oc2ccc(NC(=O)N3CCC(N(C)CC(=O)O)CC3)cc2)cc1 263463898 FLRDYDAHGPWLIX-UHFFFAOYSA-N 397.475 3.800 0 40 GHAB COc1ccccc1C(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 90607115 SMIMQRGKLZNNDQ-UHFFFAOYSA-N 376.460 3.999 0 40 GHAB CC[C@H](C)[C@@H](CO)NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 606440331 CZTIPEWRGAMLAT-BBATYDOGSA-N 385.460 3.530 0 40 GHAB biogenic FC(F)(F)c1nc(-c2ccc([C@H]3CCCN(Cc4cccnc4)C3)nc2)no1 585289047 CIIOCLKVIQOWGG-HNNXBMFYSA-N 389.381 3.925 0 40 GHAB O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 585108319 JAXWFZSSAOOVLW-LQWHRVPQSA-N 394.437 3.543 0 40 GHAB Cc1cnc(Nc2cccc(CC3CCN(Cc4cncn4C)CC3)n2)s1 585262611 IEWULEUAJIXJOZ-UHFFFAOYSA-N 382.537 3.778 0 40 GHAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)Cn1ccnc1C 29937738 VAIXAPITDWHMID-UHFFFAOYSA-N 387.436 3.875 0 40 GHAB COc1cc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)ccn1 1615154368 GAQBGEXGBGVMFJ-OALUTQOASA-N 383.467 3.891 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1C 5235150 AMVHSXAWDGGOEO-UHFFFAOYSA-N 385.869 3.865 0 40 GHAB Cc1ccnc(SC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)n1 5344037 AMMZXRBIKIEJRZ-UHFFFAOYSA-N 391.452 3.633 0 40 GHAB CCOP(=O)(CNC(=O)CC(=O)Oc1ccc(Cl)cc1Cl)OCC 5474647 KVTGWYLBQDKNTQ-UHFFFAOYSA-N 398.179 3.629 0 40 GHAB CCOc1cc(C=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 5651951 JOKTYGHZKYKJGV-UHFFFAOYSA-N 396.212 3.817 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 5880103 CBHOBWCOTVBGBA-UHFFFAOYSA-N 396.468 3.677 0 40 GHAB COc1ccc(C2=NO[C@@H](C(=O)N3CCCCC[C@@H]3c3cc(C)no3)C2)cc1 12119660 IGVJRLSACFZLIY-UYAOXDASSA-N 383.448 3.629 0 40 GHAB Cc1cc(C)n(CCCNC(=O)Cn2c(-c3cccs3)cc3cccnc32)n1 12148115 KQLSUYXZPNNZQY-UHFFFAOYSA-N 393.516 3.785 0 40 GHAB COc1ccccc1CN(CCN(C)C)C(=O)Cc1c(C)[nH]c2ccc(F)cc12 12238258 VLOAEDKCMNHZDN-UHFFFAOYSA-N 397.494 3.757 0 40 GHAB C[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1nc(-c2cccnc2)n[nH]1 13565317 KLPJWVZVEYVNMJ-JTQLQIEISA-N 376.342 3.768 0 40 GHAB CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715617 BSMKUZHFWBCQCN-GOSISDBHSA-N 392.496 3.934 0 40 GHAB O=C(c1cc(C2CCN(Cc3ccc(F)c(F)c3)CC2)no1)N1CCCCC1 19292867 NFAVUAHEPZHXTE-UHFFFAOYSA-N 389.446 3.959 0 40 GHAB CCc1n[nH]c(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)c1C 19520969 QSYFZXLTCNFODL-DWLFOUALSA-N 380.536 3.763 0 40 GHAB Cc1nc2c(-c3ccccc3)c(C)nn2c(NCCCN2CCCC2=O)c1C 19555631 OYRJSBDIAVPDSB-UHFFFAOYSA-N 377.492 3.746 0 40 GHAB C=CCOc1ccc(/C=C(\Sc2nnc(CCC)[nH]2)C(=O)O)cc1OCC 7342337 PSHYIQPKSMYCQY-VBKFSLOCSA-N 389.477 3.939 0 40 GHAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)CCn2cnc3ccccc32)cc1 10516644 HXHLYEVOXUDUDH-HXUWFJFHSA-N 399.516 3.602 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CS3)c1 15827975 VSYWRQJFTMCCON-QGZVFWFLSA-N 398.484 3.725 0 40 GHAB COc1ccc(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)c(OC)c1 4276119 SBWHTUAJTDRCPU-UHFFFAOYSA-N 382.401 3.616 0 40 GHAB Cc1cccc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)c1 4377171 ROBCFGQDGXNLBS-UHFFFAOYSA-N 382.441 3.867 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)cc1C 5136469 NSIPQSLKNHYEDZ-UHFFFAOYSA-N 384.501 3.793 0 40 GHAB CN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21 9572754 UULGARYFLPXBMX-UHFFFAOYSA-N 378.453 3.673 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 9827897 ORTAOIOAEMEDMA-UHFFFAOYSA-N 396.424 3.854 0 40 GHAB O=C(Nc1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CC2)c1ccc(F)cc1Cl 13695547 CGBQIWVBQSFTOB-SFHVURJKSA-N 388.826 3.800 0 40 GHAB CN(C)C(=O)Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 13715483 OLELAOKOZHVHEO-UHFFFAOYSA-N 381.259 3.642 0 40 GHAB Cc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(C)cccc3s2)cc1 20742574 CLZSIKXGAFAJII-UHFFFAOYSA-N 395.528 3.892 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1nc(C2CC2)cc1C1CC1 585300128 KSYCNUNVXMGRPL-UHFFFAOYSA-N 393.466 3.608 0 40 GHAB O=S(=O)(c1c(F)cccc1F)N1CCS[C@H](c2cccs2)CC1 219548160 ZBJUVXFPIPSQHN-AWEZNQCLSA-N 375.487 3.895 0 40 GHAB O=C(O)c1ccc(Br)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 2259111 QXJMNCNXWQVJPI-UHFFFAOYSA-N 390.642 3.602 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)n1 33095850 IXBUIALWFJAMLX-MRXNPFEDSA-N 378.259 3.940 0 40 GHAB COC(=O)c1oc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1C 40120205 WHABXPPAYRBHQF-UHFFFAOYSA-N 377.387 3.748 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)c1cccnc1Sc1ccccc1 31044052 HDIRPIWTIZREJS-OAHLLOKOSA-N 378.453 3.803 0 40 GHAB CCCc1nc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cs1 32801563 VWASMUHGJRZWPX-UHFFFAOYSA-N 383.502 3.810 0 40 GHAB COC(=O)c1c(C)nc(C(C)(C)C)nc1SCC(=O)N[C@@H]1CCCC[C@H]1C 32810099 ZAZDSAGOYFKDIG-TZMCWYRMSA-N 393.553 3.656 0 40 GHAB C[C@H](NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccc(F)cc1 41253762 KVRIPQQIHADNDA-AWEZNQCLSA-N 399.853 3.970 0 40 GHAB O=C(NCCc1ccc2c(c1)OCCO2)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102958845 QOSRJLNOYVXIPS-AJHHTPGJSA-N 375.896 3.694 0 40 GHAB O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(Br)cc1Cl 53528319 SLGUFVJHXQUHEA-UHFFFAOYSA-N 378.617 3.535 0 40 GHAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccccc3C(N)=O)c12 23075053 DMHUDMREPBYCLS-UHFFFAOYSA-N 378.413 3.611 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(O)cc3)n2C)cc1 899346 RZCVRFVDAZECSA-ZDUSSCGKSA-N 396.472 3.510 0 40 GHAB Cc1cccc2nc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)cn12 23229260 QWFFWLDNIGBJOE-UHFFFAOYSA-N 377.444 3.956 0 40 GHAB C[C@@H]1CN(C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)O1 23409386 QJIQFHNUNAUHQZ-ZOCZFRKYSA-N 391.458 3.541 0 40 GHAB CCN(CC)c1ccc2cc(C(=O)Nc3cccc(OC)c3)/c(=N/O)oc2c1 778841 ALQDBSIXTPMXTC-LNVKXUELSA-N 381.432 3.830 0 40 GHAB CNC(=S)N(Cc1ccccc1)Cc1cc2cc(C)c(Cl)cc2[nH]c1=O 931552 MFTXPULJMZVQOG-UHFFFAOYSA-N 385.920 3.996 0 40 GHAB O=S1(=O)[C@H](C(O)(c2ccccc2)c2ccccc2)CCCN1c1ccccc1 1562842 QCDCWPKYHIJQLR-QFIPXVFZSA-N 393.508 3.921 0 40 GHAB Cc1c(CCC(=O)NCC(=O)O)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 2119689 ANAJGKMJXNABLL-UHFFFAOYSA-N 399.443 3.587 0 40 GHAB biogenic CCOC(=O)c1c(NC(=O)CCN2CCCCC2)sc2c1CC(C)(C)OC2 2271909 NRZRMJKNJWPMNY-UHFFFAOYSA-N 394.537 3.591 0 40 GHAB FC(F)Oc1ccc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1 2797090 MDMQUHIJJBGVSD-UHFFFAOYSA-N 378.342 3.732 0 40 GHAB CCOC(=O)[C@@](NC(=O)c1ccco1)(Nc1ccccc1Cl)C(F)(F)F 3103602 GAHFNPYQQWTCBG-HNNXBMFYSA-N 390.745 3.597 0 40 GHAB CCOc1ncccc1C(=O)O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 3246296 KXHIYVMHMHDBMX-SNVBAGLBSA-N 383.231 3.971 0 40 GHAB O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)NC[C@H]1CCCO1 3448391 PEHOSEGQKQSZTJ-SNVBAGLBSA-N 388.272 3.660 0 40 GHAB Nc1cc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)ccc1Cl 3451489 UHEJJGMFIAKZKA-UHFFFAOYSA-N 386.879 3.560 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccccc2)c(C)n1Cc1ccc2c(c1)OCO2 3542980 QUKAJJSOXRYMQT-UHFFFAOYSA-N 391.423 3.922 0 40 GHAB CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21 3984042 AJLFOPYRIVGYMJ-YUDIKBHMSA-N 390.520 3.950 0 40 GHAB world COc1ccc([C@H]2c3cccn3CCN2C(=S)NCc2ccccc2)cc1 4088127 DCGZUTXCPMHGDX-NRFANRHFSA-N 377.513 3.976 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)CSc1nc3ccccc3s1)OCO2 4619954 NQANVXWGEBJOSA-UHFFFAOYSA-N 386.454 3.958 0 40 GHAB CO[C@](c1ccccc1)(c1ccc(F)cc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)O 4672035 GUNODGGFSQOICX-SIKLNZKXSA-N 396.418 3.655 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 4696187 BIIUZYVGGHFVAV-GFCCVEGCSA-N 396.896 3.678 0 40 GHAB CCOc1cc(C(=S)N2CCC(C(N)=O)CC2)ccc1OCc1ccccc1 4741025 LRCRXHOUZGIRRW-UHFFFAOYSA-N 398.528 3.537 0 40 GHAB COc1ccc2c(C)c(CC(=O)NCc3cccc(Cl)c3)c(=O)oc2c1C 4742780 GCBPKFGDNLGCKR-UHFFFAOYSA-N 385.847 3.931 0 40 GHAB CCCN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2n[nH]c(=S)n32)C1 4833253 PMMXDQKLJMZPON-UHFFFAOYSA-N 397.529 3.526 0 40 GHAB CC1CCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2ccc(F)cc2)CC1 4847668 GVFSZYDYMWIZQW-FQEVSTJZSA-N 383.446 3.821 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 4860744 URYPXKPQSHAGQK-CQSZACIVSA-N 384.505 3.902 0 40 GHAB CCc1ccc(S(=O)(=O)N(C(=O)c2cccnc2)c2ccc(OC)cc2)cc1 5234556 CXQIGEZYKIALPT-UHFFFAOYSA-N 396.468 3.688 0 40 GHAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1cccc(Cl)c1 5255108 CONYYXBAEXESDB-UHFFFAOYSA-N 384.819 3.642 0 40 GHAB COc1ccc(-c2nc(Cn3nnc(-c4ccc(F)cc4)n3)cs2)cc1OC 5298096 LTTZTJRBNZTVNP-UHFFFAOYSA-N 397.435 3.668 0 40 GHAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CCSc1ccc(F)cc1 5363899 LSBBBFLASZCBPA-CYBMUJFWSA-N 377.437 3.887 0 40 GHAB CCC[C@@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc2c(c1)OCO2 5643088 WKUGGNRMOALCIG-QLJPJBMISA-N 375.450 3.690 0 40 GHAB Cc1cnc(C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)cn1 6348945 KWEZJGHOFUTBPM-OAQYLSRUSA-N 380.375 3.889 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1 6540996 AEATVDYRAPQSSL-KRWDZBQOSA-N 378.476 3.955 0 40 GHAB NC(=O)N[C@H](CC(=O)NCc1ccccc1)c1cccc(Oc2ccccc2)c1 6602776 PFWIFNBOHPDEHA-OAQYLSRUSA-N 389.455 3.895 0 40 GHAB O=c1c2nccnc2nc(SCc2ccc(F)cc2)n1CCc1ccccc1 6818571 RFBAHNBPWKMERF-UHFFFAOYSA-N 392.459 3.861 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc4c(F)cc(F)cc4s3)CC2=O)cc1 7000052 VWBNQMHHQUZJAT-NSHDSACASA-N 387.411 3.875 0 40 GHAB COc1cc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c(OC)cc1Cl 8031997 CIURCSHKSVDHMB-UHFFFAOYSA-N 388.851 3.665 0 40 GHAB Cc1cc(NC(=O)CCN2C(=O)COc3ccccc32)ccc1Br 8061004 USYQYEPWCYTRBC-UHFFFAOYSA-N 389.249 3.512 0 40 GHAB Cc1ccc(-c2nnc(NC(=O)COc3cccc(Br)c3)[nH]2)cc1 8117005 ZINJBEGKPRHWSH-UHFFFAOYSA-N 387.237 3.560 0 40 GHAB CCc1n[nH]c(=S)n1NCc1ccc(OCc2cccs2)c(OC)c1 8339161 VQHRYBMPXICRPR-UHFFFAOYSA-N 376.507 3.896 0 40 GHAB COCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cccc(C)c2C)n1 8476623 LYIAZVAPNBDCHN-UHFFFAOYSA-N 384.867 3.581 0 40 GHAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(C/C=C/c2ccccc2)C1=O 8634950 UFHSSFCMAIUMRM-AIADIJKESA-N 385.261 3.930 0 40 GHAB CN(C)C(=O)c1ccc(NCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1 10174868 MLQSHCGRYBTTGT-OAQYLSRUSA-N 393.512 3.768 0 40 GHAB COc1ccc(S(=O)(=O)NC[C@H](c2cccc3ccccc23)N(C)C)cc1C 10335588 CDLKKVRWHVVBOR-OAQYLSRUSA-N 398.528 3.738 0 40 GHAB Cc1cccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1C 11612675 PVBSHJXSUPHNEI-SFHVURJKSA-N 386.517 3.875 0 40 GHAB COc1cccc(NCc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)c1 12222942 GEKRUGUXJBMGTF-UHFFFAOYSA-N 378.407 3.782 0 40 GHAB Cc1ccc(-c2ccccc2CC2(C(=O)N3CC(O)C3)CCOCC2)c(C)c1 12366603 SRUQKPFUAJJPHN-UHFFFAOYSA-N 379.500 3.513 0 40 GHAB O=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccc2c(c1)OCCCO2 12525801 OTVVWUVFJSUETE-UHFFFAOYSA-N 389.351 3.547 0 40 GHAB CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c1 12544370 ZCPUWTYLQXITCQ-UHFFFAOYSA-N 388.471 3.888 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc3ccccc3[nH]2)ccc1C 12697375 SWORYSZBMZJVCD-UHFFFAOYSA-N 385.489 3.759 0 40 GHAB COC(=O)c1c(NC(=O)CN(C)Cc2ccc(F)cc2)sc2c1CCCC2 12786415 QQDVCNBPOJPZMC-UHFFFAOYSA-N 390.480 3.623 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)C1=Cc2cc(Br)ccc2OC1 12880513 QZWXIEQLKZIIPL-INIZCTEOSA-N 386.245 3.865 0 40 GHAB Cc1cc(C)cc(-n2ncc3c(=O)n(C[C@H](O)c4ccc(Cl)cc4)cnc32)c1 12890443 GPFPNVSIKNLEOG-IBGZPJMESA-N 394.862 3.586 0 40 GHAB Cc1sc2ncn(C[C@H](O)COc3cc(Cl)ccc3Cl)c(=O)c2c1C 12893528 MBIVGVIDRYAPSR-LBPRGKRZSA-N 399.299 3.822 0 40 GHAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 12922922 YDTNEZLGUGZASL-QMMMGPOBSA-N 386.304 3.858 0 40 GHAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1cnccn1 14809734 DEBAYKMSYHUGOM-UHFFFAOYSA-N 376.294 3.593 0 40 GHAB COc1ccccc1CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 15721658 XQIUPMCVKCZBIC-UHFFFAOYSA-N 386.249 3.778 0 40 GHAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3F)[C@H]2C(=O)N1c1ccccc1 18179801 IIZSBLCPCQBVMB-NJDAHSKKSA-N 388.398 3.877 0 40 GHAB O=C(N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1)C(F)(F)F 19405717 BSVGDZFWOVNWNM-UHFFFAOYSA-N 376.382 3.684 0 40 GHAB Cc1nonc1-c1csc(NC(=O)c2ccccc2CN2CCCCC2)n1 19654723 DQJZQHHJALJHLA-UHFFFAOYSA-N 383.477 3.740 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3CN3CCCC3)n[nH]2)cc1 19660033 GMKAWLXBHRFQBV-UHFFFAOYSA-N 376.460 3.933 0 40 GHAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)cc1 20062770 JIXFNUAYLOSUJF-UHFFFAOYSA-N 392.546 3.762 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)CCSc1ccc(C)cc1 20241980 BFHGTNPCZJOSAZ-UHFFFAOYSA-N 386.517 3.882 0 40 GHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccccc2F)CC1 20459271 WYKNMRIZNWLNJY-LJQANCHMSA-N 376.859 3.985 0 40 GHAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)Nc1ccccc1F 21112913 RYWSVPNIIWVDBE-UHFFFAOYSA-N 392.843 3.907 0 40 GHAB Cc1cc(NC(=O)N2CCN(Cc3csc(-c4ccsc4)n3)CC2)no1 22327396 USFCCSYLTCCFLP-UHFFFAOYSA-N 389.506 3.518 0 40 GHAB CCOc1cccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 22379893 FWBMCVQCSWZOHW-UHFFFAOYSA-N 390.505 3.613 0 40 GHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)NCc3cccs3)cc21 22504131 FSLZDAYNBRXDOR-UHFFFAOYSA-N 393.534 3.562 0 40 GHAB CC(C)[C@H](NC(=O)CN1CCN(Cc2cccs2)CC1)c1ccc(F)cc1 22849042 LBQUKYVSFMOXKG-NRFANRHFSA-N 389.540 3.518 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSCc1ccc(F)cc1 22925205 VNAXEZSXJABHIR-UHFFFAOYSA-N 393.436 3.501 0 40 GHAB O=C(c1cccc(F)c1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 23315195 HJNAEVIWISZJMP-UHFFFAOYSA-N 395.390 3.624 0 40 GHAB C[C@@H]1CN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccc3Cl)o2)C[C@@H](C)O1 24222027 XTHHFPZNZVZEMS-MGPQQGTHSA-N 391.851 3.781 0 40 GHAB O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1nc(-c2ccco2)no1 24716080 GSDHFYOTSQGBGK-UHFFFAOYSA-N 394.387 3.955 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 27925078 KNYKOHWBTSVEML-UHFFFAOYSA-N 391.880 3.952 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Br)c2C)nc1 27936292 HWOFAXDLLNOGSA-SECBINFHSA-N 391.191 3.876 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1N1CCCC1=O 30873501 KZPIZEQPTGSLFC-UHFFFAOYSA-N 382.844 3.715 0 40 GHAB Cc1cnc(C(=O)N(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cn1 32524908 MQIIAIJWAXWNQS-UHFFFAOYSA-N 383.883 3.572 0 40 GHAB CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1cccc(F)c1 32730170 LIDIJTFPTXJOQS-LJQANCHMSA-N 399.441 3.972 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)N[C@H](c1cccc(F)c1)c1nccn1C 32802426 QALCKPJLVVLTNT-OXJNMPFZSA-N 380.467 3.969 0 40 GHAB COC(=O)c1occc1COC(=O)c1ccccc1NC(=O)c1cccc(C)c1 32848707 FAOPEZCHGJMNGM-UHFFFAOYSA-N 393.395 3.984 0 40 GHAB CO[C@H]([C@H](C)C(=O)OCc1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C 34471663 VZIUJIWPLDAAGJ-RYQLBKOJSA-N 377.481 3.780 0 40 GHAB COc1ccc(-c2nnc3ccc(SCc4csc(C)n4)nn23)cc1OC 36638237 JTWZRBUCMUDUTI-UHFFFAOYSA-N 399.501 3.866 0 40 GHAB COC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 39762396 HHCBMQLBWLYNHW-UHFFFAOYSA-N 386.879 3.977 0 40 GHAB CCN(Cc1cccc(NC(=O)COc2ccc(F)cc2)c1)C(=O)C(F)(F)F 40090460 NUBJGAPMMYZDED-UHFFFAOYSA-N 398.356 3.754 0 40 GHAB C[C@@H](Cc1ccccc1Cl)NC(=O)Cn1c(S)nnc1-c1cccs1 40112108 BGTZEGXQLFJJHR-NSHDSACASA-N 392.937 3.696 0 40 GHAB COc1ccccc1-n1nnc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)c1C 40112813 VIPGIVDALKVJCJ-OAHLLOKOSA-N 394.475 3.863 0 40 GHAB C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)cc1 40115611 GMVSWYRHCVKMNZ-CYBMUJFWSA-N 380.897 3.522 0 40 GHAB COc1ccc(C2=CCN(C(=O)CCc3ccc(OC)c(OC)c3)CC2)cc1 40119701 LVGZPVCMBHZFRC-UHFFFAOYSA-N 381.472 3.961 0 40 GHAB O=S(=O)(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(Cl)cc1F 44857816 WRJIDTTXNMZWNH-HNNXBMFYSA-N 385.844 3.838 0 40 GHAB Cn1c(=O)n2n(c1=O)[C@@H]1C=C[C@H]2[C@]2(C)C(c3ccccc3)=C(c3ccccc3)[C@]12C 45071365 QYOCYYHBFNXHQC-TXHUAPDYSA-N 397.478 3.651 0 40 GHAB CCCc1noc(-c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2OC)n1 46020224 JTSPBOVQFJQJJM-UHFFFAOYSA-N 387.461 3.523 0 40 GHAB CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1nncs1 47320900 PKKCASCVEXHRRC-UHFFFAOYSA-N 385.449 3.836 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)c3cccnc23)cc1 52715193 AACZXJAFSYDGHF-FQEVSTJZSA-N 379.435 3.986 0 40 GHAB COC(=O)c1c(C)nsc1NC(=O)N1CCC[C@H]1c1cccc(OC)c1 56321285 QAZVVHZTGNYXPC-AWEZNQCLSA-N 375.450 3.616 0 40 GHAB COc1ccc([C@@H](NC(=O)CN2C(=O)CSc3ccccc32)C(C)C)cc1 57894969 NZDWZUZSFAMIDR-NRFANRHFSA-N 384.501 3.647 0 40 GHAB O=C(NCc1ccc(-n2cnc3ccccc32)nc1)[C@H]1Cc2ccccc2S1 58113299 TVPDDQJZGSPEBA-HXUWFJFHSA-N 386.480 3.754 0 40 GHAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccnc(-n2ccnc2)c1 58161544 BTYJYCIDCACILQ-UHFFFAOYSA-N 375.457 3.629 0 40 GHAB CC(=O)Nc1ccc(OS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1 58365371 RMTGTELBMUEMJI-UHFFFAOYSA-N 392.433 3.675 0 40 GHAB Cc1cc2nc(SCC(=O)N[C@H](C)c3ccccc3)n(C(C)C)c(=O)c2[nH]1 67299448 QDTGULOROQYDGD-CQSZACIVSA-N 384.505 3.583 0 40 GHAB O[C@H](CN1CCC(CN2CCCCCC2)CC1)c1ccc(OC(F)F)cc1 71821744 MTZSIZRFIRWRFF-HXUWFJFHSA-N 382.495 3.909 0 40 GHAB CN(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 72304007 SSWSXUPNNXOYNX-SFTDATJTSA-N 384.520 3.615 0 40 GHAB CN(C(=O)CCSc1ccccc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 72305468 AAVOTMSCDFDULV-CQSZACIVSA-N 382.501 3.776 0 40 GHAB Cc1cnc(-c2nc(NCc3cccc(F)c3)ncc2-c2cc(C)no2)cn1 72336780 AQKYZIGPDBWXJC-UHFFFAOYSA-N 376.395 3.957 0 40 GHAB FC(F)(F)c1cccc(N2CCN(Cc3ccnc(-c4ccncc4)n3)CC2)c1 72343326 LNAPMYVZPUHBGJ-UHFFFAOYSA-N 399.420 3.880 0 40 GHAB CNc1cc(Nc2nccc([C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)ncn1 72377417 UJHNGTNUTSNWLI-INIZCTEOSA-N 393.470 3.571 0 40 GHAB Cc1cc(C)n2nc(CC(=O)N(Cc3ccccc3)[C@H]3CCCC3(C)C)nc2n1 79022494 RFQCXRSPRIGURQ-IBGZPJMESA-N 391.519 3.891 0 40 GHAB CCOc1cc(OC[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc(SC)n1 79439903 LMEIOQDILWMXFD-ZDUSSCGKSA-N 383.514 3.766 0 40 GHAB CCC[C@H](NC(=O)CNC(=O)OCc1ccccc1)c1ccc(F)cc1F 84740439 NFWPIKVNZURSLT-SFHVURJKSA-N 376.403 3.849 0 40 GHAB COC(=O)N1CCCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 89913672 FXPHIEALISQRSU-LBPRGKRZSA-N 398.385 3.591 0 40 GHAB CCCCCC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 89953350 SXBRMJDDSJSMJS-UHFFFAOYSA-N 385.474 3.914 0 40 GHAB CN(C)c1nc(-c2ccccc2)c(CN2CC[C@@H](Oc3cccnc3)C2)s1 93691693 VULNTYNUUGYUET-GOSISDBHSA-N 380.517 3.924 0 40 GHAB CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 95463187 NJQLFOLSKHKVRZ-FKBYEOEOSA-N 381.472 3.929 0 40 GHAB CC(C)(C)OC(=O)c1cccc(CNC(=O)c2ccc(C(F)(F)F)nc2)c1 95986985 CXDREZMJDORXLN-UHFFFAOYSA-N 380.366 3.986 0 40 GHAB O=C(NCc1ccccc1)N1CCC(Oc2ncccc2Br)CC1 96096998 JKPHBXKDKHMSPZ-UHFFFAOYSA-N 390.281 3.597 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1C 219286764 VGMVVMXWYKVZAN-ZDUSSCGKSA-N 380.897 3.819 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccccc1OC 219507834 WKRFWXIBSCQOSG-CYBMUJFWSA-N 387.461 3.623 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OC)cc1 222797704 QBLYCBUJEAVIPH-UXHICEINSA-N 378.501 3.873 0 40 GHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 222973306 DJQCHMSYSATKPB-SFHVURJKSA-N 395.459 3.836 0 40 GHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCOC)c1ccccc1 223408662 GXVPSARSXZXFCV-FQEVSTJZSA-N 388.895 3.583 0 40 GHAB O=S(=O)(NCCOc1ccccc1Cl)c1ccc(Br)s1 223850297 LKONUKGCDCTZAU-UHFFFAOYSA-N 396.715 3.521 0 40 GHAB CCC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 224014187 MMSGJUNFJJUXBM-GCJKJVERSA-N 396.531 3.960 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)cc1C 224189454 ZWKAPRKNNAYKIA-UHFFFAOYSA-N 383.897 3.631 0 40 GHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F 224315195 JGEJZXFWXSGRSZ-INIZCTEOSA-N 388.458 3.697 0 40 GHAB O=S(=O)(NCC[C@@H](O)c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 225611878 DQQKZVUJWDFVOD-OAHLLOKOSA-N 393.814 3.761 0 40 GHAB O=S(=O)(Cc1c(F)cccc1Cl)Nc1nnc(-c2ccccc2)s1 225783138 BQLHZQWNJDPDNU-UHFFFAOYSA-N 383.857 3.940 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1 225921681 RQGXBQNRQPHVTG-GOSISDBHSA-N 386.517 3.651 0 40 GHAB O=C(Cc1cnc(-c2ccc(F)cc2)s1)NC[C@H]1CCCN2CCCC[C@@H]12 229714668 FVRBDNNBYUJKHE-APWZRJJASA-N 387.524 3.872 0 40 GHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Oc3nccs3)cc2)CC1 238862921 LCBXLZDISANUKX-UHFFFAOYSA-N 389.477 3.628 0 40 GHAB O=C(CSc1c[nH]c2ccccc12)NC1CCN(c2cc(C3CC3)[nH]n2)CC1 238869581 MOLNHBZNYBSTLG-UHFFFAOYSA-N 395.532 3.646 0 40 GHAB Cc1c(Cl)cccc1N1C[C@H](C(=O)NCc2ccccc2Cl)CC1=O 242758183 DKVNECRHVUFQAE-CQSZACIVSA-N 377.271 3.971 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)nc(N)n1 257291211 QGDIONKHSNPVSS-KRWDZBQOSA-N 397.866 3.577 0 40 GHAB O=S(=O)(N[C@H](c1ccsc1)c1cccs1)c1ccc2c(c1)OCCO2 390827235 VHBHGYWKCRCVRF-QGZVFWFLSA-N 393.511 3.649 0 40 GHAB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NC2CCCCCCC2)cc1 408582863 FNRLYODLNMIUOD-UHFFFAOYSA-N 394.581 3.783 0 40 GHAB COC(=O)c1c(NS(=O)(=O)c2ccc(SC)cc2)sc2c1CCC2 408629774 HSGGLMMZFBBKML-UHFFFAOYSA-N 383.516 3.546 0 40 GHAB O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1ccc(F)c(Cl)c1 409226980 WUDPUZMZTRWWEB-NTUHNPAUSA-N 380.784 3.747 0 40 GHAB Cc1cccc(Oc2cc(CNC(=O)N3C[C@@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)ccn2)c1C 514843695 AAFHBSAZJBSNQH-FMWKFLBASA-N 391.471 3.586 0 40 GHAB Cc1c(C(=O)O)sc2ncnc(N3CCC[C@]4(C3)OCc3ccccc34)c12 521252493 IPWPYTTTXREQQM-HXUWFJFHSA-N 381.457 3.724 0 40 GHAB Cc1cc(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)ccc1Cl 585111231 KNBKWEOTRQCCRG-HXUWFJFHSA-N 395.890 3.937 0 40 GHAB CN1CCC(n2cc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)cn2)CC1 634090340 AIWOERTZZDVXGQ-UHFFFAOYSA-N 385.855 3.711 0 40 GHAB CC(=O)N1CCCCCCCN(C(=O)CCn2ccnc2C)Cc2ccccc21 643553212 CPNJQCHDUNZLPB-UHFFFAOYSA-N 396.535 3.927 0 40 GHAB CC[C@H](NS(=O)(=O)c1ncccc1Br)c1csc(C)c1 685938892 CLCGKCXXXIKBPD-LBPRGKRZSA-N 375.313 3.644 0 40 GHAB CCc1ccc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)s1 1615159099 SXCRBSQZBXLOPT-QFIPXVFZSA-N 398.528 3.739 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@H](O)c2ccc(-c3cccs3)cc2)cc1 1775978561 UDVAFOBLEDNUEW-SFHVURJKSA-N 381.453 3.665 0 40 GHAB CN(CC1CCN(c2ncnc3sccc23)CC1)c1ncnc(C2CC2)c1F 2086867538 YCIPOCYQGCAHCS-UHFFFAOYSA-N 398.511 3.851 0 40 GHAB O=C1Nc2ccc(F)cc2[C@@]12CCN[C@@H]2c1cc(Br)ccc1F 61717728 WZJGEPHGIFLBJC-NVXWUHKLSA-N 379.204 3.652 0 40 GHAB C/C(Nc1ccc2c(c1)CCC2)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 9111522 BQRKWBMBZKGBIQ-LDADJPATSA-N 395.846 3.798 0 40 GHAB O=C(O)c1c[nH]c2cc(NS(=O)(=O)c3cccc(Cl)c3Cl)ccc12 78806059 MFBZRSQFCWUYTH-UHFFFAOYSA-N 385.228 3.974 0 40 GHAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccn5)CC4)[C@H]3C=C12 4025948 XEMWUXYWWPFRFQ-GRALADDTSA-N 395.547 3.518 0 40 GHAB biogenic O=C(COC(=O)c1ccccc1Cc1ccccc1)NCc1ccc(F)cc1 4846834 SAEAQHGPYRGNTQ-UHFFFAOYSA-N 377.415 3.890 0 40 GHAB COc1ccccc1C(=O)NC1CCN(C(=O)Nc2cc(C)cc(C)c2)CC1 4888458 YNEZRJBRVQVTDA-UHFFFAOYSA-N 381.476 3.738 0 40 GHAB CCC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1cccc2ccccc12 4964772 BMKIUZCKWVYDEF-UHFFFAOYSA-N 382.489 3.643 0 40 GHAB C/C=C/c1ccc(OCC(=O)OCC(=O)c2ccc(OCC)cc2)c(OC)c1 6648771 LYWRPWVSIMZVRJ-GQCTYLIASA-N 384.428 3.932 0 40 GHAB NC(=O)C1CCN(C(=S)c2cn(Cc3ccccc3F)c3ccccc23)CC1 6971884 IGWMFOJAYGHXFX-UHFFFAOYSA-N 395.503 3.702 0 40 GHAB COc1ccc(C)cc1NC(=O)COc1ccc(I)cc1 7034756 UKXICMGIULVMOG-UHFFFAOYSA-N 397.212 3.626 0 40 GHAB O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 7309513 BXVBVWZBVVMEQT-OAHLLOKOSA-N 379.865 3.637 0 40 GHAB Cc1cccc(C(=O)Nc2ccc(OCc3cc(=O)n4ccsc4n3)cc2)c1 8603646 XZCOCMXMUCDEFX-UHFFFAOYSA-N 391.452 3.896 0 40 GHAB CCc1cc(=O)n(CC(=O)N(CC)Cc2ccccc2)c(-c2cccc(F)c2)n1 57508161 DPLVPKOFDMYYNI-UHFFFAOYSA-N 393.462 3.661 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1F 101026861 IMEVDSRFMICGCF-NJYVYQBISA-N 388.398 3.877 0 40 GHAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C)cn2)cc1 27643459 FCWQEODWHUJFLP-UHFFFAOYSA-N 383.477 3.739 0 40 GHAB CCSc1ncc(Br)c(C(=O)Nc2cc(OC)ccc2OC)n1 27743732 SZUCLXHEROVYHM-UHFFFAOYSA-N 398.282 3.621 0 40 GHAB CCCCOc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 27747725 ZIJLUHWBCKAKKK-IBGZPJMESA-N 388.533 3.730 0 40 GHAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 100278144 FUQQTGSXKIQLGT-FJIDUMEYSA-N 385.803 3.725 0 40 GHAB CCOc1ccc(Nc2nc(C(=O)Nc3ccc(C(N)=O)cc3)cs2)cc1 9208976 RFOHRNXITCZFBG-UHFFFAOYSA-N 382.445 3.637 0 40 GHAB Cc1cccn(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c1=O 95349656 IGELCEBFLOZJKM-SFHVURJKSA-N 395.846 3.781 0 40 GHAB Cc1cc(=O)oc2cc(O[C@H](C)c3nc(N)nc(Nc4ccccc4)n3)ccc12 12517439 HHBVMJHYOADOOP-CYBMUJFWSA-N 389.415 3.752 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1cccc(NC(=O)c2ccco2)c1 36394618 HFRIFXROUPGZEH-OAHLLOKOSA-N 376.412 3.889 0 40 GHAB Cc1cccc(C)c1-n1nnnc1SCc1ccn(-c2cccc(F)c2)n1 58157297 AFLPPOMFOUPOEP-UHFFFAOYSA-N 380.452 3.896 0 40 GHAB CC1=NN(c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC(=O)N4)cc2)CC1 45986214 VTXMAHJXHCLRLK-OAHLLOKOSA-N 376.460 3.648 0 40 GHAB CCc1cc2c(COC(=O)c3cccc(C)c3NC(C)=O)cc(=O)oc2cc1O 11812388 FPMKQPQFJGAWBN-UHFFFAOYSA-N 395.411 3.685 0 40 GHAB Cc1ccc2nc(NC(=O)c3nn(-c4ccc(F)cc4)ccc3=O)sc2c1 11914430 LAKHQYPOIUZQQF-UHFFFAOYSA-N 380.404 3.542 0 40 GHAB Cc1cc(C)cc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 28535611 VLOIEKJVXILTOE-UHFFFAOYSA-N 387.896 3.658 0 40 GHAB CN(C)C1(CNS(=O)(=O)c2ccccc2C(F)(F)F)CCCCCC1 60618557 NANRVYPTTIXCMW-UHFFFAOYSA-N 378.460 3.638 0 40 GHAB COc1ccc2[nH]cc(C3=CCN([C@@H](C)C(=O)Nc4cc(C)on4)CC3)c2c1 47257378 BJBXSLDTMRGIEH-AWEZNQCLSA-N 380.448 3.589 0 40 GHAB O=C(CS[C@H]1CCc2ccccc2N=C1O)N1CCN(c2ccccc2)CC1 12325193 ZPDJOVHBZWGHIR-FQEVSTJZSA-N 395.528 3.671 0 40 GHAB CCN(c1ccc(NC(=O)COC(=O)CCOc2ccccc2)cc1)C(C)C 3263639 PXKVGACIAPLUNL-UHFFFAOYSA-N 384.476 3.872 0 40 GHAB Cc1ccc(-c2csc(NC(=O)Cn3cnc4sccc4c3=O)n2)cc1 12768722 XWXAJKUCYPKXNH-UHFFFAOYSA-N 382.470 3.529 0 40 GHAB CC(C)c1nnc(NC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)s1 51119519 BZELLYHWBNHDSO-MRVPVSSYSA-N 387.292 3.725 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2c(C)n[nH]c2C(F)F)c(Br)c1 95983203 ILUWNFDDZNWJEC-UHFFFAOYSA-N 380.214 3.527 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c1C 3350966 ZLRGAAYXVUCWBU-UHFFFAOYSA-N 386.561 3.863 0 40 GHAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(-n3ccnc3)c(F)c2)no1 48333290 PCGHTMKKDCEYPT-UHFFFAOYSA-N 393.378 3.534 0 40 GHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(S(=O)(=O)NC2CC2)cc1 12819146 AYVISOTUBBVWCO-UHFFFAOYSA-N 385.272 3.686 0 40 GHAB COc1ccccc1OCC(=O)NCCc1csc(-c2ccc(C)cc2)n1 27990138 WOXYNPSVWUIANX-UHFFFAOYSA-N 382.485 3.865 0 40 GHAB CN(Cc1cccs1)C(=O)COc1ccccc1C(=O)NCc1ccccc1 3416021 RBODRUDZOONSGW-UHFFFAOYSA-N 394.496 3.716 0 40 GHAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 13002735 QMHOMWXHDMTQKY-ZDUSSCGKSA-N 377.400 3.551 0 40 GHAB Cc1cccc(NC(=O)CN(C)C(=O)c2cnn(-c3ccccc3F)c2C)c1C 13005062 WHPMNINRCFWPHR-UHFFFAOYSA-N 394.450 3.647 0 40 GHAB COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCc1ccccc1 408574798 MTINFVOOXHUSKV-UHFFFAOYSA-N 377.893 3.935 0 40 GHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1)c1ccccc1 13691879 XNYMHKJZBILICW-PKOBYXMFSA-N 389.499 3.826 0 40 GHAB O=c1c2cc(-c3ccc4c(c3)OCO4)nn2ccn1Cc1ccc(Cl)cc1 64977515 JJEOLQJWWYTIHI-UHFFFAOYSA-N 379.803 3.593 0 40 GHAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccc(C)cc1 6226109 LCLPSCOTUNQPDB-UHFFFAOYSA-N 384.480 3.968 0 40 GHAB COc1cccc(-n2nnnc2SCC(=O)c2ccc3c(c2)CCCC3)c1 28047739 KBVQMIHRYRZWOS-UHFFFAOYSA-N 380.473 3.525 0 40 GHAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1ccc2c(c1)OCCCO2 5309510 PJLJEHYUIGAZIB-UHFFFAOYSA-N 390.852 3.503 0 40 GHAB Cc1cccc(C)c1N1C(=O)C[C@H](N2CCC(c3ccc(O)cc3)CC2)C1=O 14244045 ZWZIALHQPUZPDJ-FQEVSTJZSA-N 378.472 3.521 0 40 GHAB COc1ccccc1N1CC(=O)N(c2ccccc2)[C@@H](c2ccsc2)C1=O 5452018 WBOCQOZJUYQBTH-FQEVSTJZSA-N 378.453 3.878 0 40 GHAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCO2 5551653 RKPLBNMVBOMEEY-LJQANCHMSA-N 388.423 3.915 0 40 GHAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C 4736204 ADSXWZHMHMFCFG-UHFFFAOYSA-N 386.452 3.751 0 40 GHAB C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1n[nH]c(=S)n1C1CC1 66638245 ZYWXZQZUHOJORV-QMMMGPOBSA-N 387.292 3.666 0 40 GHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(Cl)c2)n2nnnc2N1 4878801 VQIFQVRSTGZHNV-GOSISDBHSA-N 394.866 3.871 0 40 GHAB Cc1csc(=O)n1CCC(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1 9591594 GJRKUMWWAHMBRI-UHFFFAOYSA-N 396.468 3.604 0 40 GHAB COc1cc(NC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(C)C 15083684 FQYNDLRCJNNAPX-UHFFFAOYSA-N 375.421 3.761 0 40 GHAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)ccc21 5805233 KAXBWYOUBBKHQQ-HNNXBMFYSA-N 380.448 3.560 0 40 GHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)CC(C)C)cc1 7141340 FHLXPSWEHBVXDI-NRFANRHFSA-N 394.471 3.962 0 40 GHAB O=C(NCc1ccc(F)cc1)c1ccccc1OCc1cn2ccccc2n1 7318960 KMUNYPKODABNCY-UHFFFAOYSA-N 375.403 3.982 0 40 GHAB O=C(NCc1ccccc1)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 96554686 XQYDYCIYXGVVTE-XMHGGMMESA-N 387.468 3.716 0 40 GHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)COc1ccc(Cl)cc1C 7645251 IQCKJTXHIPHBTM-UHFFFAOYSA-N 375.852 3.847 0 40 GHAB Cc1cc(C)c(O)c(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 95956508 ZDTVBDQWZKVNDA-UHFFFAOYSA-N 387.867 3.548 0 40 GHAB CCc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 9709086 BPNWSJUNBXXAOO-UHFFFAOYSA-N 389.459 3.839 0 40 GHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCc1ccc(F)cc1 409349747 WBFPOXXBZHTATI-UHFFFAOYSA-N 384.480 3.968 0 40 GHAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1cnn(Cc2ccc(Cl)c(Cl)c2)c1 18212113 UTTYAVBIROUIHG-ZIAGYGMSSA-N 378.259 3.918 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)c1c(C)oc(C)c1Br)OCO2 96998032 SFWOQYUNJRXSCS-UHFFFAOYSA-N 380.194 3.843 0 40 GHAB COC(=O)c1ccc(Cn2cc(/C=C3/SC(=O)N(C)C3=O)c3ccccc32)o1 409393347 QKNXVBIGCBPIDZ-RQZCQDPDSA-N 396.424 3.735 0 40 GHAB COc1cccc(C2=N/C(=C/c3ccc(OC)c(OC(F)F)c3)C(=O)O2)c1 89469707 NTGDZUIMHGZAJD-RIYZIHGNSA-N 375.327 3.650 0 40 GHAB O[C@H](CSc1nnc2ccc(C(F)(F)F)cn12)c1cc(F)ccc1F 89768468 ZSPHKELBHPESCD-GFCCVEGCSA-N 375.322 3.852 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1cccs1 23115660 HMWJEMIEAUUXMO-UHFFFAOYSA-N 392.546 3.802 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(Br)c1)c1ccccc1 20104148 BHNWXEBOEUWVAK-OAHLLOKOSA-N 384.295 3.887 0 40 GHAB CC(C)n1nccc1C(=O)Nc1cccc(NC(=O)c2ccnn2C(C)C)c1 508331074 HACMZDBNOXCVRS-UHFFFAOYSA-N 380.452 3.746 0 40 GHAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1 32912620 RKOCIOONLFRQGB-HNNXBMFYSA-N 385.247 3.866 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2cc(C)c(C)cc2Br)c1 409204232 CXMCEQJDPHIZMD-UHFFFAOYSA-N 392.249 3.870 0 40 GHAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccccc1O 409411857 MILMCVMPSSBUGT-UHFFFAOYSA-N 396.472 3.604 0 40 GHAB C[C@H](NC(=O)C(=O)NCc1ccc(OCc2ccccc2)cc1)c1ccccc1 38490221 PUNNJRHQRMCDMS-SFHVURJKSA-N 388.467 3.759 0 40 GHAB Cc1csc(CNC(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)n1 32882219 FZTDYRQNAXEFEP-GOSISDBHSA-N 387.549 3.820 0 40 GHAB C[C@@H]1CCCN(c2ccc(NC(=S)NCc3ccc4c(c3)OCCO4)cn2)C1 224050746 RXQNCOWECKISOW-OAHLLOKOSA-N 398.532 3.576 0 40 GHAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223748407 FISGNEFJTIXCHC-SFHVURJKSA-N 394.515 3.714 0 40 GHAB Cc1ccc2nc(C)c(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)n2c1 223148081 GOTISNGYOPYMJR-UHFFFAOYSA-N 382.895 3.875 0 40 GHAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 85413607 FIHRXCSVOUKRFZ-PBHICJAKSA-N 390.313 3.878 0 40 GHAB CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)cc2Cl)CC1 226259253 AZVOVGPCCKFLTQ-UHFFFAOYSA-N 393.318 3.970 0 40 GHAB Cc1c(Cl)cccc1N(CCCC(=O)N1CCCCCC1)S(C)(=O)=O 222666178 ZJGZRRQFGALUTH-UHFFFAOYSA-N 386.945 3.597 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)c(OC)c1OC 45203010 KLAMCKCWHIHVAY-CQSZACIVSA-N 375.490 3.818 0 40 GHAB O=C(NC[C@@]1(O)CCOc2ccccc21)C1c2ccccc2Oc2ccccc21 77099967 XJQRRCGNYGNGRF-DEOSSOPVSA-N 387.435 3.711 0 40 GHAB CC(C)(C)c1ccccc1OCCNC(=O)c1cccc(N2CCCC2=O)c1 223708948 SINXOAXCXAAKMN-UHFFFAOYSA-N 380.488 3.920 0 40 GHAB COc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCCCc2ccccc2)n1 225964359 DFHXRUPPHBSRRH-MRXNPFEDSA-N 399.564 3.641 0 40 GHAB CCCNC(=S)Nc1nc(N2CCCCC2)cc(N2C[C@@H](C)C[C@H](C)C2)n1 225885100 DDWHZUOJEGVZKU-HOTGVXAUSA-N 390.601 3.646 0 40 GHAB Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 224097116 BFDAZLNALDTXBH-HXUWFJFHSA-N 396.531 3.872 0 40 GHAB CCOCCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C(=O)N(C)C 96037383 FRHLTQZCJSUDTO-UHFFFAOYSA-N 398.507 3.863 0 40 GHAB CC(C)C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccccn2)CC1 257316269 VEWSPXVSAGSAEN-QAQDUYKDSA-N 381.524 3.651 0 40 GHAB CNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(C(=O)C2CC2)CC1 257263375 LPPINTXZBXNKAT-UHFFFAOYSA-N 390.527 3.969 0 40 GHAB CCCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCCC[C@H]2C)n1 260739794 PDQUJUQOMDDFMY-JKSUJKDBSA-N 390.601 3.788 0 40 GHAB O=C(O)[C@H](CNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21)Cc1ccc2ccccc2c1 630140744 NLIKIJYQDZLUQR-MLDBQTBOSA-N 385.463 3.785 0 40 GHAB C[C@]1(C(F)F)CN(C(=O)N[C@H]2CCc3c(Br)cccc32)CCO1 663955833 VIIRIFKXADPBKO-XJKSGUPXSA-N 389.240 3.502 0 40 GHAB O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)Nc1c(F)cccc1F 96121524 ZDAZDEBITKBYTB-UHFFFAOYSA-N 397.429 3.924 0 40 GHAB CO[C@@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccccc1 67826949 IILZUIXUCHITOS-QZTJIDSGSA-N 390.277 3.737 0 40 GHAB Cn1ccnc1C1(O)CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 1515957686 ZIIMVHLDJPRIMW-UHFFFAOYSA-N 391.500 3.580 0 40 GHAB Cc1cccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1C 5316991 RCVXRZFAIOSEIN-UHFFFAOYSA-N 376.243 3.959 0 40 GHAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)NCc1cccc(Cl)c1 5317206 YVFWCDYITKSNQM-UHFFFAOYSA-N 396.661 3.673 0 40 GHAB Cc1cccc(C(C)(C)C)c1NC(=O)C[C@@H]1C(=O)Nc2ccccc2[S@@]1=O 5811848 NGHGZADNERPURJ-XGCWNURASA-N 384.501 3.750 0 40 GHAB CC(C)[C@@H](Sc1nc(Nc2ccccc2)c2ccccc2n1)C(=O)NC(N)=O 5969152 DFUKZYGVDVDMKV-MRXNPFEDSA-N 395.488 3.685 0 40 GHAB O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 12089235 FRVOJLFGVAITKY-RTBURBONSA-N 384.549 3.798 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCCc1ccc(N2CCCC2)cc1 16847315 NZYRNKMLVRCUKD-UHFFFAOYSA-N 378.925 3.602 0 40 GHAB COc1cccc(CC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2C)c1 19239636 CYUPEZFNFUECAW-FQEVSTJZSA-N 376.460 3.695 0 40 GHAB Cc1ncccc1C(=O)N1CCC(c2nc(C)c(-c3ccncn3)s2)CC1 19582839 UUXLFJIUARAGLE-UHFFFAOYSA-N 379.489 3.632 0 40 GHAB Oc1cc(C2CCN(Cc3cccnc3)CC2)nc(NCc2ccc(F)cc2)n1 19717928 YGRZYUUPTZGRGM-UHFFFAOYSA-N 393.466 3.708 0 40 GHAB Cn1cc(C(=O)NC2CCCC2)c(CC2CCN(CCc3ccccc3)CC2)n1 19754948 DAPSNPUNBRLNQT-UHFFFAOYSA-N 394.563 3.590 0 40 GHAB CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1NC(=O)c1ccncc1 19018143 WQUMZXUKSNUZDM-FQEVSTJZSA-N 377.469 3.889 0 40 GHAB COc1ccc([C@H]2CC(c3ccco3)=NN2S(=O)(=O)c2ccccc2)cc1 6590562 MWGAUJOUGYLKHT-LJQANCHMSA-N 382.441 3.828 0 40 GHAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ncnc2c1CCCC2 1889014783 HSIXTYCZWUWQLC-UHFFFAOYSA-N 375.457 3.984 0 40 GHAB CC[C@]1(c2cccc(Cl)c2)NC(=O)N(CN2CCc3sccc3C2)C1=O 14309549 URWYVSJCJFMIRZ-LJQANCHMSA-N 389.908 3.574 0 40 GHAB CN1CCN(Cc2ccc(Cl)cc2)C[C@H](Cc2ccnc3cccnc23)C1 2037838685 WFPAXWKGRWMXLB-GOSISDBHSA-N 380.923 3.890 0 40 GHAB Cc1cccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3oc4ccccc4c32)c1 4316102 UZMXJTYJNRDVKH-UHFFFAOYSA-N 386.407 3.907 0 40 GHAB C[C@@H](O)CCC(=O)NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1 7546115 KBRKOBZFKUXDLJ-OAHLLOKOSA-N 385.895 3.558 0 40 GHAB C[C@@H](O)CCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl 7546068 GCAUNADQCZILIV-OAHLLOKOSA-N 385.895 3.558 0 40 GHAB O=S(=O)(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1ccc(Cl)s1 1775969917 RRTNLTJDJVCCIV-SNVBAGLBSA-N 389.907 3.735 0 40 GHAB Cc1c(C(=O)N2CCC[C@@H](Oc3ccncc3Cl)C2)cnn1-c1ccccc1 575611701 GHKIUDPLGOSGPI-QGZVFWFLSA-N 396.878 3.913 0 40 GHAB COc1ccccc1NC(=S)N[C@H](C)[C@H](c1cccs1)N1CCOCC1 13878789 GNMFRKIFUKWMBP-RDTXWAMCSA-N 391.562 3.505 0 40 GHAB CN1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)[C@@H](c2ccccc2)C1 30030418 IQRRQUABLMHKBY-OAQYLSRUSA-N 394.906 3.714 0 40 GHAB CN(Cc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 40067950 QVNMYVMIRWPGFF-FQEVSTJZSA-N 387.911 3.555 0 40 GHAB O=C(c1ccc(-n2cncn2)cc1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 40115774 AJYKCKPQIAQIQA-UHFFFAOYSA-N 387.418 3.817 0 40 GHAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 40122295 YDOUZHMNQSJDEN-OAHLLOKOSA-N 386.879 3.978 0 40 GHAB COc1cc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)ccc1Br 31904012 MSILDAKJKTVNST-UHFFFAOYSA-N 395.278 3.661 0 40 GHAB O=C(CCNC(=O)Nc1ccccc1)Nc1cc2c(cc1Cl)OCCCO2 32848514 AMMHDXIBZFICJS-UHFFFAOYSA-N 389.839 3.652 0 40 GHAB O=C(NCc1ccc(N2CCCC2=O)cc1)NCc1cccc(C(F)(F)F)c1 32862470 GJBLGOBXQLWMJI-UHFFFAOYSA-N 391.393 3.832 0 40 GHAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2)C(=O)N1c1ccc(F)cc1 102704454 MPPRMKQPZPPZQF-PCCBWWKXSA-N 388.398 3.877 0 40 GHAB C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCN(C/C=C/c2ccccc2)CC1 22774314 KFDSRYMGECQPKP-WTUWHVHBSA-N 389.543 3.684 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1C 886825 MCTSHIRHYMLJEL-SFHVURJKSA-N 392.908 3.749 0 40 GHAB COc1cccc(C(=O)N(CC(C)C)c2nnc(-c3ccncc3)s2)c1OC 1356722 QBVNANKIFDGIGU-UHFFFAOYSA-N 398.488 3.920 0 40 GHAB O=S(=O)(c1ccc(Cl)s1)N1CCn2cccc2[C@@H]1c1ccccc1 24775129 XQNWHSOUSGJNSU-KRWDZBQOSA-N 378.906 3.997 0 40 GHAB CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(F)cc1 3187943 GJWSJLVTFBMYLT-SFHVURJKSA-N 393.418 3.578 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1C 3559968 QAKKAQQFRFZBRO-UHFFFAOYSA-N 388.533 3.986 0 40 GHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ncc(C)s1 25147866 OCIBMMWRJBOFTM-UHFFFAOYSA-N 382.367 3.917 0 40 GHAB O=C(COc1ccc(-c2nnco2)cc1)Nc1ccccc1C(=O)c1ccccc1 3174185 LLIDSDUNXNWQHM-UHFFFAOYSA-N 399.406 3.985 0 40 GHAB Cc1cccc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c1C 7014974 HLANGLDLHFIFON-UHFFFAOYSA-N 377.444 3.901 0 40 GHAB CC(C)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 7653119 MTQXOSAXEDUCGQ-UHFFFAOYSA-N 380.897 3.723 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)NC3CCCCC3)o2)c1C 59176227 ZPWCHGMDXJPSLU-UHFFFAOYSA-N 375.494 3.806 0 40 GHAB C[C@H](C(=O)OC1CCCCC1)n1nnc2sc(-c3ccccc3)cc2c1=O 1785073 ZDCPVKQQQRRIMT-CYBMUJFWSA-N 383.473 3.957 0 40 GHAB CC(C)Oc1cccc(CNS(=O)(=O)c2ccc(Br)cc2)c1 10543825 DAYXXFSEXHEQPR-UHFFFAOYSA-N 384.295 3.715 0 40 GHAB COc1ccc(Cl)cc1C(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2 8209119 SUDLCOKROYAIMH-UHFFFAOYSA-N 378.925 3.922 0 40 GHAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 10968528 VOAWWVNQKUOATF-GJZGRUSLSA-N 377.531 3.757 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2ccc(=O)oc2c1 2095188 FEZVUCPAVPTACF-PXAZEXFGSA-N 375.421 3.638 0 40 GHAB biogenic O=C1C[C@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1cccc(Cl)c1 100792140 YBVGKEXEXVPLJK-IBGZPJMESA-N 379.847 3.512 0 40 GHAB biogenic O=c1c2cc(Br)ccc2ncn1[C@H]1CCc2ccccc2N=C1O 36354874 ZDTFTWSXPWUNEQ-INIZCTEOSA-N 384.233 3.935 0 40 GHAB CCc1ccc2c(COC(=O)[C@@H]3Oc4ccccc4O[C@H]3C)cc(=O)oc2c1 10951508 JIPOIQROMCTMOZ-YEJXKQKISA-N 380.396 3.627 0 40 GHAB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2n1C(F)F 12547264 NLVGCNJDUDORQB-LLVKDONJSA-N 394.399 3.753 0 40 GHAB Cc1ccc(-c2noc(CSCC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 28908356 OIOUGXVQSSFZEQ-UHFFFAOYSA-N 397.456 3.688 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccc(C)cc1 11746626 DAWMOCPGEVTBRL-FQEVSTJZSA-N 393.487 3.636 0 40 GHAB O=C(/C=C/c1ccc(F)c(Cl)c1)NCc1ccc(CN2CCOCC2)cc1 29716296 NGEWDONNLSEIQN-SOFGYWHQSA-N 388.870 3.641 0 40 GHAB CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC)cc1 2925193 BBPILPVQAYVCGH-UHFFFAOYSA-N 389.502 3.607 0 40 GHAB CCCCn1c(SCc2ccc(F)cc2)nc2cc(S(N)(=O)=O)ccc21 3269223 GNFJSCAPZXMTTE-UHFFFAOYSA-N 393.509 3.915 0 40 GHAB CCCCn1nc(C)c(/C=C/C(=O)OCc2ncnn2CC(C)C)c1Cl 95468137 BIQWKUCHQJCJFD-BQYQJAHWSA-N 379.892 3.649 0 40 GHAB O=C(NC(=S)Nc1ccc(O)c(C(=O)O)c1)c1ccc(Cl)c(Cl)c1 20152089 NWVJSRWDZLXCTM-UHFFFAOYSA-N 385.228 3.524 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1 12795040 AKMUJNFCIDJJNZ-XNTDXEJSSA-N 391.427 3.884 0 40 GHAB COc1ccc(OC)c(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 63765016 CKVADMIWDXOSCM-UHFFFAOYSA-N 390.288 3.831 0 40 GHAB COCCOCC(=O)N(C1CCC(C)CC1)[C@H](C)c1ccc(OC)cc1OC 72283495 WVTDPTOGVPJJSB-LXPRWKDFSA-N 393.524 3.835 0 40 GHAB CCC(CC)c1nnc(NC(=O)COc2ccc(N3CCCC3=O)cc2)s1 25319501 BVYQDNLVEHFTOD-UHFFFAOYSA-N 388.493 3.586 0 40 GHAB Cc1ccccc1Nc1nc(N)nc(CSc2ncnc3sccc23)n1 3352721 QZAFSKRIOXMGJC-UHFFFAOYSA-N 381.490 3.803 0 40 GHAB CCOc1ccccc1-n1nnnc1SCc1nc2cc(Cl)ccc2[nH]1 97165088 SGIMZYCWYLLUQA-UHFFFAOYSA-N 386.868 3.883 0 40 GHAB COc1cc(C(=O)Nc2nc3c(s2)CCC3)cc(OC)c1Br 12861140 AVRXMHCGAWHTFW-UHFFFAOYSA-N 383.267 3.664 0 40 GHAB Cc1c(C(=O)N(C)Cc2cccc(F)c2)sc2nc3n(c(=O)c12)CCCCC3 12921569 AJXQKYCFWFWNJP-UHFFFAOYSA-N 399.491 3.904 0 40 GHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1COc2ccccc2O1 12909266 JIOZZJAPSQYBGL-HNNXBMFYSA-N 380.366 3.687 0 40 GHAB CCN(CC)c1ccc(C(=O)OCc2cc(F)cc3c2OCOC3)c(O)c1 64093727 BRQNJLUGDHBAJG-UHFFFAOYSA-N 375.396 3.601 0 40 GHAB C[C@@H](NC(=O)CCc1nncn1-c1ccccc1)c1ccccc1Br 72302703 NHTNSWAVSRINQO-CQSZACIVSA-N 399.292 3.840 0 40 GHAB O=C(NCc1ccccc1Cl)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 13691532 KADCNFDFRGMSKQ-KRWDZBQOSA-N 395.890 3.990 0 40 GHAB COc1ccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)cc1 13625421 UJSSDBKGJQPKJZ-UHFFFAOYSA-N 376.412 3.965 0 40 GHAB CCOC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C(C)(C)C)CC3 5093219 MLQOXYSKVMLIMI-JTQLQIEISA-N 380.535 3.791 0 40 GHAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)/C=C/SCc3ccco3)C[C@@H]21 96013996 CVERNKIOIZGMIW-WEUZOMIGSA-N 392.521 3.788 0 40 GHAB CCOc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)sc2c1 13857669 NQAYUEAMBREEFR-CYBMUJFWSA-N 381.457 3.687 0 40 GHAB COCCn1c(SCC(=O)c2cc(C)sc2C)nc2ccccc2c1=O 5315736 VRJWRYUJMDXOAE-UHFFFAOYSA-N 388.514 3.696 0 40 GHAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2CN(Cc3ccsc3)C[C@H]21 306130515 JIRQWDKOHBENSE-UYAOXDASSA-N 382.510 3.565 0 40 GHAB CCc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccccc1 9237882 LFAZCOBHMCLBCE-MSOLQXFVSA-N 379.489 3.547 0 40 GHAB C[C@@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 4548813 YMNBJUUDVMNEGN-BVZFJXPGSA-N 385.463 3.983 0 40 GHAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 6553626 PWWDTVIBIMUXGH-LJQANCHMSA-N 376.815 3.845 0 40 GHAB CCCCc1nc2sc3c(c2c(=O)n1NC(=O)Cc1ccccc1)CCCC3 5713701 IFTFXZAAYOWDKI-UHFFFAOYSA-N 395.528 3.992 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1F)S2 6812145 KVCWALUXAQKMBC-ZWKOTPCHSA-N 397.479 3.768 0 40 GHAB C=Cc1ccc(Cn2ccn3nc(-c4ccc(OC)c(OC)c4)cc3c2=O)cc1 67260804 SVOWNLZXQPTSIC-UHFFFAOYSA-N 387.439 3.872 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2oc3ccccc3c2C)cc1 9457082 LFPQAJYELMJTOH-CYBMUJFWSA-N 380.400 3.884 0 40 GHAB COc1ccc(Cn2nnnc2SCc2cc(Cl)ccc2OC)cc1 16369450 HOAOLGPKOLUXQN-UHFFFAOYSA-N 376.869 3.684 0 40 GHAB Cc1ccc(-c2nc3c4ccccc4n(CC(=O)c4ccccc4)c(=O)n3n2)cc1 69321351 UYAORBCSWTYFJG-UHFFFAOYSA-N 394.434 3.903 0 40 GHAB Cn1nc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c2ccccc2c1=O 8343947 KAAYUYICYJKEEI-OAQYLSRUSA-N 383.451 3.647 0 40 GHAB COc1ccc(NC(=O)[C@@H](Sc2nc3sccc3c(=O)[nH]2)C(C)C)cc1 9691177 MLNCVDPVSKRDIR-AWEZNQCLSA-N 389.502 3.749 0 40 GHAB O=C(Nc1ncccc1OC(F)F)c1ccc(OCC(F)(F)C(F)F)nc1 95948384 XFIVGRKDGNSHIV-UHFFFAOYSA-N 395.259 3.610 0 40 GHAB Cc1cc(C)c(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)o1 95963952 ASTBXLNFCDOXRE-UHFFFAOYSA-N 391.474 3.644 0 40 GHAB O=C(Nc1ccccn1)C1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CC2)CC1 95953704 PUFIZYYUKYVDIN-FQEVSTJZSA-N 396.466 3.732 0 40 GHAB COc1cc(/C=C/C(=O)N[C@H](c2nccc(C)n2)C2CC2)ccc1OC(C)C 89701886 UXQJZNMIQISXET-ISPXXFMDSA-N 381.476 3.862 0 40 GHAB C[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)c1nc2ccccc2s1 89901380 AEDWHMVFFAVYPF-SECBINFHSA-N 378.383 3.968 0 40 GHAB CCN(Cc1cc(Br)ccc1F)C(=O)CN1Cc2ccccc2C1 89969249 OWPBRJJDNLKLQD-UHFFFAOYSA-N 391.284 3.953 0 40 GHAB CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccnc1 408737053 LHNBHYPRMSREAK-GOSISDBHSA-N 380.448 3.637 0 40 GHAB O=C(COc1ccc(Cl)cc1Br)OCc1nnsc1Cl 22651088 WEKLJRDAWBAIOL-UHFFFAOYSA-N 398.065 3.730 0 40 GHAB CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(Br)cc2)CC1 67800545 WLFJKGHSWMUPNM-UHFFFAOYSA-N 383.286 3.578 0 40 GHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1OC 28043469 SMGKKHGKDIQDPV-MRXNPFEDSA-N 381.881 3.883 0 40 GHAB COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)C(C)C)c3nccs3)C2)cc1 72341414 DWROQQOWBDCFDS-MJGOQNOKSA-N 387.549 3.877 0 40 GHAB O=C(CCN1CCSC1=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 32810417 KDSGVVLMCZHHHO-UHFFFAOYSA-N 399.303 3.736 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2c(C)nc(SC)nc2C)c1 8356814 HIZJMBNQUQKPGV-AWEZNQCLSA-N 389.521 3.643 0 40 GHAB CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1ccccc1OC)CCCC3 35079582 RYUHYOLRLQUVHQ-IBGZPJMESA-N 393.487 3.946 0 40 GHAB COc1cc(CNC(=O)[C@@H](C)SCc2ccccc2)cc(OC)c1OC 46912170 WLQMKDNIISRFMN-CQSZACIVSA-N 375.490 3.651 0 40 GHAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(CC)c2)c1C 223685285 GXCGPDOGBPVTSF-UHFFFAOYSA-N 377.462 3.544 0 40 GHAB CCc1ccc([C@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 223537107 HRAACIGUTGMOLR-KRWDZBQOSA-N 388.533 3.509 0 40 GHAB C[C@@H]1CCCN(C(=O)C2CCN(Cn3c(=S)n(C)c4ccccc43)CC2)C1 45801747 YMWSKWFURULIRR-MRXNPFEDSA-N 386.565 3.637 0 40 GHAB COc1ccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 223093659 GRQMCHQTYKOXBY-GOSISDBHSA-N 396.531 3.878 0 40 GHAB COCCn1cc(CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c2ccccc21 96118754 DKFTYFHWVIXGQB-HNNXBMFYSA-N 376.460 3.584 0 40 GHAB O=C(c1cc(-c2ccnn2C2CCCC2)n2ccccc12)N1CCC(O)CC1 96154793 NSAOIVZBZSRCRJ-UHFFFAOYSA-N 378.476 3.515 0 40 GHAB O=C(C[C@H]1CC2(CCN(C(=O)C3CCCC3)CC2)Oc2ccccc21)NC1CC1 96079999 XTZXRUZHOAEHFV-SFHVURJKSA-N 396.531 3.773 0 40 GHAB NC[C@H]1CC[C@H]([C@@H](NC(=O)CCOc2cccc(F)c2)c2ccccn2)CC1 257313852 UUJRJHGKNBANAT-DRSNIGMVSA-N 385.483 3.612 0 40 GHAB CC(C)N(C(=O)c1ccc(CN2CCOCC2)cc1)[C@H]1CCCc2cccnc21 585079998 MBRIIEOHHYEBQS-QFIPXVFZSA-N 393.531 3.842 0 40 GHAB CNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C(C)C)CC1 257301173 RXHKAMAQKQAYPW-UHFFFAOYSA-N 384.545 3.968 0 40 GHAB Cc1nc(-c2nccn2C)cc([C@H]2CCCCN2C(=O)c2cccc(F)c2)n1 257323469 WKHOHIIGHACBTJ-LJQANCHMSA-N 379.439 3.692 0 40 GHAB Cc1nc2cc(C(=O)N3CCC[C@@H]([C@@H]4CCCN4)C3)ccc2n1-c1ccccc1 645112523 MFEHFOPMJQNJDG-CTNGQTDRSA-N 388.515 3.938 0 40 GHAB OC[C@@]1(CNCc2c(Cl)nc3cc(Cl)ccn23)CCc2ccccc21 1657614807 JVKYHOFYLJOABZ-IBGZPJMESA-N 376.287 3.607 0 40 GHAB COc1cccc(CCN[C@H]2CCCN(C(C)=O)[C@H]2Cc2ccc(C)cc2)c1 585284844 IONAMIHHDBLPHK-ZEQRLZLVSA-N 380.532 3.758 0 40 GHAB Cc1cc(OCC2CCN(C(=O)c3ccc(Br)o3)CC2)ccn1 1775995395 SIVRVOOXTIMUHS-UHFFFAOYSA-N 379.254 3.677 0 40 GHAB Cc1ncsc1CN1CCC2(CC1)CN(S(=O)(=O)CC(C)C)C(C)(C)C2 1615156950 NFFHYGYZEZMCOR-UHFFFAOYSA-N 399.626 3.504 0 40 GHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 7071168 FJZVJINCDIJDTC-SEEODLKFSA-N 398.278 3.827 0 40 GHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c1 5126747 YRGKTAVLHPVXIO-UHFFFAOYSA-N 386.267 3.576 0 40 GHAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(N2CCOCC2)cc1 11328567 KZNYCEMEFHDYTM-UHFFFAOYSA-N 395.434 3.889 0 40 GHAB Cc1cc2nccc([C@@H]3CCCN(C(=O)Cc4c(F)cccc4Cl)C3)n2n1 12119020 BXHRWKUCNKKKRA-CQSZACIVSA-N 386.858 3.779 0 40 GHAB COc1ccc(C2=NO[C@H](C(=O)N3CCCCC[C@H]3c3cc(C)no3)C2)cc1 12119666 IGVJRLSACFZLIY-ICSRJNTNSA-N 383.448 3.629 0 40 GHAB COC(=O)/C=C/c1ccc(OC(=O)c2ccccc2Br)c(OC)c1 12743026 WADYQUBIUCWXCU-CSKARUKUSA-N 391.217 3.863 0 40 GHAB CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 14491952 SYSWKALIGDAVBS-KRWDZBQOSA-N 387.439 3.790 0 40 GHAB Cc1c(C(=O)N2CCN(C)c3nc4ccccc4nc32)oc2ccc(F)cc12 14901155 VXOKOHHOCKUYNA-UHFFFAOYSA-N 376.391 3.920 0 40 GHAB COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(Cl)cc3)n2)cc1 15674677 VPGAQQLFUZVUMN-AEFFLSMTSA-N 385.851 3.707 0 40 GHAB biogenic,in-vitro Cc1cc(C)c(OCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c(C)c1 16112150 JKCIWDTVIFDQAT-UHFFFAOYSA-N 396.487 3.574 0 40 GHAB COc1ccc(/C=C\C(=O)OC/C=C/c2ccc(OC)c(OC)c2)cc1OC 17327420 GRRDUNKIGVALCZ-FPONQXLSSA-N 384.428 3.991 0 40 GHAB O=C(NCCn1ncc(-c2ccncc2)c1-c1ccccc1F)c1cccnc1 19368278 KXJACGDMXSMQLB-UHFFFAOYSA-N 387.418 3.576 0 40 GHAB CCc1nccn1CC1(O)CCN(C(=O)c2oc3c(C)c(C)ccc3c2C)CC1 19523611 LSBAIUSMZXCQPE-UHFFFAOYSA-N 395.503 3.784 0 40 GHAB COCCn1cc(CN(Cc2ccccn2)C[C@@H]2CCCO2)c2ccccc21 19594204 JEYWPONXMVUXSL-NRFANRHFSA-N 379.504 3.864 0 40 GHAB CNc1cc(CN(C)Cc2ccc(-c3ccccn3)cc2)nc([C@@H]2CCCN2)n1 19760053 UTBIWTFHLWZLSE-NRFANRHFSA-N 388.519 3.637 0 40 GHAB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccn1C 6323735 RXUSOYPLOWNHOY-UDWIEESQSA-N 387.281 3.722 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)Cc1cccc(F)c1)Cc1ccccc1O2 19591972 SYVNQHYQJZNDEM-UHFFFAOYSA-N 382.479 3.690 0 40 GHAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)C1(c2cccs2)CCCC1 390831927 WAPUBSSJTVIAIO-GFCCVEGCSA-N 398.454 3.593 0 40 GHAB CNC(=O)NC(=O)[C@@H](C)Sc1cc(-c2ccccc2)c2ccc(OC)cc2n1 3429338 BGAKIWLQPKCCMI-CYBMUJFWSA-N 395.484 3.847 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)[C@]3(C)CC3(Cl)Cl)c2C)no1 5031714 RKDBICSXCHHLNR-INIZCTEOSA-N 385.247 3.700 0 40 GHAB C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)c1nc2ccccc2c(=O)[nH]1 6291998 IHYRTGHDMYEHJT-GFCCVEGCSA-N 384.819 3.844 0 40 GHAB Cc1c(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)oc2ccc(F)cc12 13296305 CHPOYFSAJZPMIG-UHFFFAOYSA-N 388.420 3.673 0 40 GHAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)nc1 1889149398 KKERSEOGYNCHOL-CQSZACIVSA-N 378.398 3.545 0 40 GHAB CN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccccc1Br 24441218 YTTUXYUCXIEKOL-UHFFFAOYSA-N 376.222 3.548 0 40 GHAB Cc1nc(-c2cccc(F)c2)sc1CCNS(=O)(=O)c1ccccc1 5137223 ITSSCPZTBANITK-UHFFFAOYSA-N 376.478 3.779 0 40 GHAB CCCC(CCC)C(=O)NCCn1ncc2c(NC(C)C)nc(SC)nc21 8941141 NRGFUFSRAHIGBU-UHFFFAOYSA-N 392.573 3.701 0 40 GHAB CCn1nccc1C(=O)N(C[C@H]1CCCO1)c1nc2c(Cl)cccc2s1 11696010 WGARBNNPQBFNLR-GFCCVEGCSA-N 390.896 3.992 0 40 GHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3cccc(C)c3)cc21 17286511 ZBXLVTXSWUZUSI-UHFFFAOYSA-N 386.517 3.669 0 40 GHAB Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(C(=O)CC4=CCCCC4)[C@H]3C2)n1 2055729830 SJJKGZKWQLQLOV-BVSLBCMMSA-N 384.520 3.803 0 40 GHAB COc1cccc(-n2nnc(-c3nc(-c4ccccc4OC)cs3)c2N)c1 33265148 SOFBVHNEFLVHOV-UHFFFAOYSA-N 379.445 3.657 0 40 GHAB O=C(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1cc(-c2ccccc2)on1 206771737 YETZTCDWRXVGEM-INIZCTEOSA-N 388.427 3.882 0 40 GHAB Fc1ccccc1N1CCN(c2cc(SCc3ccccn3)ncn2)CC1 36708511 NSQAUIVYAIVGON-UHFFFAOYSA-N 381.480 3.630 0 40 GHAB Cn1nccc1-c1cncc(CNC(=O)c2nc(-c3cccs3)cs2)c1 575617549 WZCAJQPAUMDXGW-UHFFFAOYSA-N 381.486 3.597 0 40 GHAB C[C@@](O)(CNC(=O)c1ccc2nsnc2c1)c1ccc(-c2ccccc2)cc1 77184152 XRWMRNNDNUGYQT-JOCHJYFZSA-N 389.480 3.996 0 40 GHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 30521585 QJXJCQFHRSYVSM-HZPDHXFCSA-N 386.835 3.920 0 40 GHAB CC(=O)Nc1nc(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)cs1 40112465 QTOFWSTYPIYCLX-UHFFFAOYSA-N 396.472 3.836 0 40 GHAB CCN1CCN(c2ccccc2NC(=O)Nc2c(C)nn(C(C)C)c2C)CC1 40150601 SGNRNZLRQMPVPQ-UHFFFAOYSA-N 384.528 3.867 0 40 GHAB C[C@H](CNC(=O)c1csc(Br)c1)N1CCc2sccc2C1 31961546 RMICDEZNVJIEPQ-SNVBAGLBSA-N 385.352 3.749 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21 51316193 QCBQCWWOTOHMTR-KRWDZBQOSA-N 394.515 3.847 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4cccc(OC)c4)nn32)cc1 32096047 ZICOLVKZPFPEFV-SFHVURJKSA-N 392.415 3.739 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(NC(=O)C2CCCCC2)c1 32914060 RSLYAGQVXOLXED-UHFFFAOYSA-N 378.432 3.627 0 40 GHAB CC1CCC2(CC1)NC(=O)N(CN(C)[C@@H](C)c1nc3ccccc3s1)C2=O 22090434 VTYXXTKFGBYAKG-DMAKZNTKSA-N 386.521 3.747 0 40 GHAB CCCSCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 53159333 LWLDTVZPYMLKKP-UHFFFAOYSA-N 378.519 3.878 0 40 GHAB O=C(NCc1ccco1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 865848 ILCNYGXSBZLJBL-SMDDNHRTSA-N 380.326 3.659 0 40 GHAB COC(=O)c1cc(NC(=O)Cc2cccc3ccccc23)cc(C(=O)OC)c1 1017143 IFIPKIIRDMOYTG-UHFFFAOYSA-N 377.396 3.594 0 40 GHAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(OC(F)F)cc1 3416734 JROPQWMUHMBHHC-UHFFFAOYSA-N 382.417 3.865 0 40 GHAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(F)cc2F)cs1 4179780 FMOYQCTWRYPGEZ-IOWHJBRQSA-N 378.400 3.774 0 40 GHAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(c2ncccn2)CC1 6341041 UTFKNYNVEASRFQ-UHFFFAOYSA-N 395.466 3.654 0 40 GHAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cs2)c1 6680919 VFXGWXHLDVIGRE-AWEZNQCLSA-N 378.519 3.729 0 40 GHAB Cc1cc(C(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)c(C)n1C1CC1 57286370 QUMYQVPGHRNTFI-UHFFFAOYSA-N 395.503 3.679 0 40 GHAB CC(C)COc1ccc(-c2noc(CN3C(=O)COc4ccccc43)n2)cc1 44166307 ZHPQDEWLIQOODY-UHFFFAOYSA-N 379.416 3.697 0 40 GHAB Cc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)c(Cl)c1 57477876 FWTKACIZWYMQGQ-UHFFFAOYSA-N 385.826 3.958 0 40 GHAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C)c(C(F)(F)F)c1 10514320 YPUDAMOEFPGEAG-UHFFFAOYSA-N 389.351 3.521 0 40 GHAB COc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 10291471 RWNUPHWDKRKEOL-LBPRGKRZSA-N 384.259 3.965 0 40 GHAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCC1(c2ccccc2)CCC1 10221386 FJKIEOPLYGYSJX-FQEVSTJZSA-N 382.479 3.818 0 40 GHAB CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1=O 10461924 FOXNERNSNFYLQI-INIZCTEOSA-N 397.450 3.665 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cncn2-c2ccccc2)c(C)c1 12507506 CQLXWKFMLYTQKJ-UHFFFAOYSA-N 376.460 3.508 0 40 GHAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)COc4ccccc4)CC3)n2n1 100159287 AQWDITLEJJTOPY-HDICACEKSA-N 378.476 3.507 0 40 GHAB CN(C)CCNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 2360869 URILHRNUARHMPC-UHFFFAOYSA-N 382.533 3.690 0 40 GHAB O=C(NCCCc1nc2ccccc2s1)c1cnn(Cc2ccccc2)c1 11178670 MCOARVJGFIHDEZ-UHFFFAOYSA-N 376.485 3.904 0 40 GHAB Cc1cccc(-n2c(=S)[nH]c(=O)c3c(C(=O)O)cc(-c4ccco4)nc32)c1 36617259 XMTDNDMGJZPPPB-UHFFFAOYSA-N 379.397 3.710 0 40 GHAB C[C@@H](c1ccc(NC(=O)N[C@H](C)CNc2ccccc2)cc1)N1CCOCC1 84640167 YDONTRJGHORUBI-MSOLQXFVSA-N 382.508 3.702 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 58005215 VWAKSKKDCKJKTR-VXGBXAGGSA-N 395.322 3.815 0 40 GHAB CCN(CC)[C@@H](CNC(=O)c1ccc(-c2nc(C)no2)cc1)c1ccsc1 29415274 YYLSJTKVXKKIDP-SFHVURJKSA-N 384.505 3.919 0 40 GHAB COc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1Cl 11866004 TXRREXXRAOTNQW-AWEZNQCLSA-N 386.835 3.543 0 40 GHAB Cc1nc(COc2ccc(C(=O)NCCN(C)c3ccccc3)cc2)cs1 24242207 DXDCFKVPVKGGHJ-UHFFFAOYSA-N 381.501 3.897 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 100917673 MPPRMKQPZPPZQF-HKBOAZHASA-N 388.398 3.877 0 40 GHAB C[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 12391576 UGDHDHOGAXGOAZ-DLBZAZTESA-N 387.487 3.795 0 40 GHAB CC(C)C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NC1CC1 12389554 XAEXYDKXQAIMEG-KRWDZBQOSA-N 396.516 3.510 0 40 GHAB Cc1c(NC(=O)CSc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 3211081 DISUGLSIPNCQMA-UHFFFAOYSA-N 387.892 3.869 0 40 GHAB COc1ccc([C@H](CNC(=O)c2cnn(C(C)(C)C)c2)N2CCCCC2)cc1 48185797 FVFYWIOYXUSVAR-FQEVSTJZSA-N 384.524 3.604 0 40 GHAB CCN1C[C@@H](CN(C)C(=O)c2c[nH]nc2-c2ccc(F)cc2)Oc2ccccc21 48290934 HEBRTNFWKLWHTI-QGZVFWFLSA-N 394.450 3.575 0 40 GHAB COc1ccc(CSCC(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 20050022 WVMMWJZRHNGIMQ-UHFFFAOYSA-N 375.490 3.604 0 40 GHAB CN(CC(=O)Nc1ccccc1SC(F)F)Cc1ccc2c(c1)OCCO2 12992041 ZOUHMVCUFNVLSX-UHFFFAOYSA-N 394.443 3.843 0 40 GHAB COc1cc(CCC(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc(OC)c1 12909250 NSXJTJKXRRDFFT-HXUWFJFHSA-N 390.911 3.709 0 40 GHAB COc1ccc(OC)c(CNC(=O)c2ccccc2C(=O)c2ccccc2)c1 12908385 ZFYRSNZYOCROIW-UHFFFAOYSA-N 375.424 3.865 0 40 GHAB Cc1cc(C)cc(OCc2nnc(NC(=O)COc3ccc(F)cc3)s2)c1 13553138 RZZBMWXGKNNZGZ-UHFFFAOYSA-N 387.436 3.891 0 40 GHAB Cc1ccc(NC(=O)[C@H]2[C@@H]3NC(=S)N(C)[C@@]2(C)Oc2ccccc23)c(C)c1 4185320 FMEGMANQLUEYOL-OPYAIIAOSA-N 381.501 3.528 0 40 GHAB CCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC(C)C)cc1 6203975 CMIHLYKDXHOJOW-SFHVURJKSA-N 376.522 3.858 0 40 GHAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2c(c1)OCO2 5205246 QOUIRURPESNNOX-KRWDZBQOSA-N 396.443 3.716 0 40 GHAB Cc1cnc(C(=O)N(Cc2ccc(Br)cc2)Cc2ccccn2)cn1 65493021 KMKXZJBAOCNUMR-UHFFFAOYSA-N 397.276 3.785 0 40 GHAB O=C1C[C@H](c2ccccc2)N(C(=O)Nc2cccc(C(F)(F)F)c2)CCN1 65521927 OMRSXSSWRZDKLM-MRXNPFEDSA-N 377.366 3.801 0 40 GHAB O=C(N[C@H]1CCSc2ccccc21)[C@H]1CCCN1c1ncnc2ccccc12 14197937 NSUCOBRXRNJALQ-RBUKOAKNSA-N 390.512 3.952 0 40 GHAB CCOC(=O)CCCSc1nc2sc3c(c2c2ncnn12)C[C@H](C)CC3 5562215 HOWRMZCGDQSNMI-LLVKDONJSA-N 390.534 3.899 0 40 GHAB C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5529852 MJDYUFYIOGAURV-PXUYXRTLSA-N 385.504 3.771 0 40 GHAB biogenic COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1c(C)nc2ccccc2c1C 95452382 RJBQYLKBVXYZJX-SFHVURJKSA-N 390.483 3.984 0 40 GHAB Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)o1 6919699 KJPBNLMLPDZKMY-UHFFFAOYSA-N 398.484 3.969 0 40 GHAB O=C(O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1 5948860 LHVWBTSSSDQJSQ-UHFFFAOYSA-N 378.403 3.978 0 40 GHAB O=S(=O)(c1ccccc1)N1CCC2(CC1)C[C@@H]2c1nnc(-c2ccccc2)o1 71889623 DRJSUVKCSIQBGQ-GOSISDBHSA-N 395.484 3.695 0 40 GHAB Cc1nc(C)c(CCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(=O)[nH]1 16469277 AKTOQCWHKREBSO-UHFFFAOYSA-N 387.443 3.501 0 40 GHAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 8085746 OXOKDLQOPRBEFX-UHFFFAOYSA-N 399.516 3.770 0 40 GHAB c1ccc(-n2nnnc2CN2CCCC[C@@H]2c2nc3ccccc3s2)cc1 8342144 VUMVXTXVHAGSMX-QGZVFWFLSA-N 376.489 3.999 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCc2nc3ccccc3s2)C1 8356280 VFSFDUDQLYHQAR-CYBMUJFWSA-N 376.478 3.987 0 40 GHAB O=C(NC1=NCCCN1c1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 28527044 NYJIQQRTOFVUHT-UHFFFAOYSA-N 379.794 3.938 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(COc2ccc(F)cc2)o1 17856033 MUZIFRLNVRLCKK-UHFFFAOYSA-N 396.418 3.983 0 40 GHAB Cc1ccn2c(=O)cc(COC(=O)c3ccc(-c4ccc(F)cc4)o3)nc2c1 18377402 ZXOJRXCIEUTDOO-UHFFFAOYSA-N 378.359 3.759 0 40 GHAB Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1nc(-c2ccc3c(c2)COC3)cs1 84012009 MKNYCNIIOAOJRF-NSHDSACASA-N 382.489 3.933 0 40 GHAB Cc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc(C(C)C)n1 8751355 DUEDMXGWGBENFV-UHFFFAOYSA-N 392.425 3.890 0 40 GHAB COc1ccc([C@H](NC(=O)N(C)C[C@H]2COc3ccccc3O2)C(C)C)cc1 9867545 ZZUQVFROKGFFLD-GHTZIAJQSA-N 384.476 3.874 0 40 GHAB CN(C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1)[C@@H]1CCc2ccccc21 72303990 DCJACFDJWODQLY-HXUWFJFHSA-N 399.516 3.526 0 40 GHAB FC(F)(F)c1cccc(Cn2nc(Br)nc2Br)c1 67799145 CXYWSZICGNTZLB-UHFFFAOYSA-N 384.981 3.870 0 40 GHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(Cl)ccc3O)n2)cc1 408543061 NHGUKSXRDCSFMU-UHFFFAOYSA-N 390.852 3.570 0 40 GHAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 175956577 YQPSFKOBDRGUTN-GUYCJALGSA-N 395.908 3.778 0 40 GHAB Cc1ccsc1/C=C1/NC(=O)N(Cc2ccc(Br)cc2)C1=O 408930279 UWYAJPOCEXNINX-MDWZMJQESA-N 377.263 3.912 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(OC)cc3OC)o2)cc1 63890086 GJDWWESXUUPQCC-UHFFFAOYSA-N 382.416 3.939 0 40 GHAB CCc1ccc(-n2nc3ccc(NC(=S)NC(=O)C(C)(C)C)cc3n2)cc1 408626442 HIZYVQFEHIITPJ-UHFFFAOYSA-N 381.505 3.842 0 40 GHAB CCOC(=O)C1(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)CCCCC1 1527264801 SZFLWMTUGKQOEW-UHFFFAOYSA-N 389.883 3.830 0 40 GHAB O=S(=O)(NC[C@@H](c1ccsc1)c1ccco1)c1ccc(-n2cccn2)cc1 675008005 LUBNHKVMMUTNDA-SFHVURJKSA-N 399.497 3.637 0 40 GHAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)sc2c1 32126996 HCHZHLUPRUGJEC-UHFFFAOYSA-N 385.470 3.769 0 40 GHAB CCNC(=O)COc1ccc(-c2noc(-c3ccc(C)cc3)n2)cc1OCC 33013282 YYMUGRKMSCPSGV-UHFFFAOYSA-N 381.432 3.626 0 40 GHAB CCCCNC(=O)C1CCN(c2cc(Oc3ccc(CC)cc3)ncn2)CC1 71328245 LUVPVGSZUJQCGK-UHFFFAOYSA-N 382.508 3.964 0 40 GHAB Cc1nn(COc2cccc(F)c2)c(C)c1NS(=O)(=O)c1cccs1 32610190 VNIGEWZWUAVFBP-UHFFFAOYSA-N 381.454 3.538 0 40 GHAB CC(C)c1ccc(OCCc2cc([C@H]3CCN(Cc4cnn(C)c4)C3)n[nH]2)cc1 72371566 MHXPKQWZGQANCI-FQEVSTJZSA-N 393.535 3.878 0 40 GHAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccccc2OC)cc1OCC 219556507 RKOZOCRIQODGLO-QGZVFWFLSA-N 387.476 3.966 0 40 GHAB C[C@@H]1C[C@@H](C)CN(CCCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 40157096 QIUXCPPRTYSGKE-ZIAGYGMSSA-N 376.925 3.516 0 40 GHAB COc1ccc(-c2cnc(CCC(=O)N3CCc4ccccc4C3)o2)c(OC)c1 224871498 GQESFLGSONYKTO-UHFFFAOYSA-N 392.455 3.876 0 40 GHAB COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)o2)cc1 222766900 NKWVEWZXEAUVLH-RTBURBONSA-N 393.468 3.731 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 223058719 BILHDJYXNMXZAB-LJQANCHMSA-N 390.886 3.883 0 40 GHAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)c1 223899999 KZNFNGGKRKDFDC-UHFFFAOYSA-N 375.490 3.558 0 40 GHAB Cc1cc(OCC(=O)NCCOc2cccc(C)c2C)ccc1Br 223936099 RHZYXKATKIHGPW-UHFFFAOYSA-N 392.293 3.948 0 40 GHAB Cc1nc(NC(=S)NCc2ccc3c(c2)OCCO3)c(Cl)cc1Cl 224048122 XAABMXMKGWGDAP-UHFFFAOYSA-N 384.288 3.955 0 40 GHAB CN(C)CCOc1ccc(CNC(=O)c2ccc(SC(F)F)cc2)cc1 48356355 BAGFBJUKVLCCRY-UHFFFAOYSA-N 380.460 3.872 0 40 GHAB COc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222775625 FLMXZQVCLBMVAS-GOSISDBHSA-N 396.531 3.878 0 40 GHAB COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)[nH]n2)cc1Cl 223241613 RFCGTVKOZQUUOG-UHFFFAOYSA-N 377.853 3.848 0 40 GHAB O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)N1CCC(c2ccncc2)CC1 577742063 VASVVGXLVUNLNV-UHFFFAOYSA-N 399.882 3.676 0 40 GHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[C@@H](O)CN1CCN(c3ccccc3)CC1)C2 230111618 JQRIJBVNFRDMPG-BQUSRXHISA-N 386.580 3.791 0 40 GHAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(CN2CCCC[C@H]2C)cc1 245225212 PVPLCQFSDIZFKO-CVEARBPZSA-N 385.533 3.880 0 40 GHAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)c1OCCN(C)C 257230390 GCDBJBDHRVCEQM-UJEQOSBCSA-N 389.536 3.510 0 40 GHAB CN(C)C(=O)c1sc2nc(C3(C)CCN(c4ccccn4)CC3)ccc2c1N 257257244 KOSBKLQWNZLVAW-UHFFFAOYSA-N 395.532 3.533 0 40 GHAB FC(F)Oc1cc2c(cc1CNC1CCC(N3CCCCC3)CC1)OCO2 1647036231 BHTUUFVHLYBNFD-UHFFFAOYSA-N 382.451 3.903 0 40 GHAB CN1CC[C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)C1 599222924 GBBYBXPSPSUNNM-INIZCTEOSA-N 394.906 3.874 0 40 GHAB CCCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccco1)C2 585106853 JRDDFSNZPBEVNQ-JOCHJYFZSA-N 376.460 3.827 0 40 GHAB CC(C)c1noc(CN2CCC[C@H](COc3ncccc3C(F)(F)F)C2)n1 1775995592 ARLSYNGUZRQBRG-ZDUSSCGKSA-N 384.402 3.898 0 40 GHAB CC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)c1 55903167 VXCPDQDFEAIOPR-QGZVFWFLSA-N 375.787 3.569 0 40 GHAB COc1ccc(-c2cc3ncc(-c4ccc(OC)c(OC)c4)c(N)n3n2)cc1 5051305 FJEPMCMUWKQVIB-UHFFFAOYSA-N 376.416 3.671 0 40 GHAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)on1 12118411 PLWGFKOYPZWXIJ-MRXNPFEDSA-N 380.423 3.528 0 40 GHAB Cc1nn(CCC(=O)N2CCc3onc(-c4ccccc4F)c3C2)c(C)c1C 12290775 YLLRJRKVZCHZIV-UHFFFAOYSA-N 382.439 3.577 0 40 GHAB Cc1cc(C(=O)N2CCN(c3nc4c(C)c(Cl)ccc4s3)CC2)on1 12422462 UKLNURYDEFDNHM-UHFFFAOYSA-N 376.869 3.517 0 40 GHAB Cc1ccc(-c2noc([C@H](C)NS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 13495198 OFQOPCAKAXSHMA-LBPRGKRZSA-N 377.853 3.738 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC[C@H](C)C3)cc2)cc1 13675285 LDFPQDTWAQWYNT-KRWDZBQOSA-N 386.517 3.692 0 40 GHAB COc1cccc(Cn2nc(C)c(NS(=O)(=O)c3cc(C)ccc3C)c2C)c1 14234343 UWUFIZHBNYQMJJ-UHFFFAOYSA-N 399.516 3.974 0 40 GHAB O=c1oc(-c2ccc(F)cc2)nn1Cc1cc(Cl)c2c(c1)OCCCO2 16278564 KKFVJGRXSHDRCX-UHFFFAOYSA-N 376.771 3.505 0 40 GHAB Cc1ncc(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)c(C)n1 19552485 IEWXTJKPXXBIKG-CEMLEFRQSA-N 378.520 3.576 0 40 GHAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)c4cccnc4)C3)noc2n1 19568829 QQFCZODBCGBXPI-CYBMUJFWSA-N 390.365 3.965 0 40 GHAB Cc1ccc2cc(S(=O)(=O)NCCn3nc(C)c(Cl)c3C)ccc2c1 19909084 HOIWUAKDGXLZDE-UHFFFAOYSA-N 377.897 3.593 0 40 GHAB C=CCN1C(=O)S/C(=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)C1=O 8334447 UKCPNYWJOIECJZ-ATVHPVEESA-N 381.457 3.711 0 40 GHAB Cc1c(CO)c2ccccc2n1C(=O)c1cccc(I)c1 226366427 AWJCUWOWICZISZ-UHFFFAOYSA-N 391.208 3.735 0 40 GHAB NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccc(F)cc2)C1 19340686 BPHVBHVGVCEFHM-XMMPIXPASA-N 389.474 3.808 0 40 GHAB CCN(CC)C(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 4371534 ZHLHHJMAOYGSEF-UHFFFAOYSA-N 383.473 3.626 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)c1ccc(NC(=O)c2ccccc2)cc1 5316310 PDCURCPHGRUQTE-UHFFFAOYSA-N 383.407 3.532 0 40 GHAB Cc1nc(C)c(CN2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)s1 1888864151 AHRYDXZDIDXQKC-UHFFFAOYSA-N 379.480 3.687 0 40 GHAB CCOc1ccccc1CN1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1888866668 DQBOKMVMMYLTDK-UHFFFAOYSA-N 381.398 3.938 0 40 GHAB CC(=O)Nc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)s1 4328410 AJJXQDNZGXAPGZ-UHFFFAOYSA-N 377.278 3.534 0 40 GHAB CCN(C(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)c1ccccc1 4557588 NQHBZRVTDRYOET-JWWGGVBKSA-N 386.451 3.665 0 40 GHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1 4585878 KTKNIHIGAWUINZ-UHFFFAOYSA-N 380.878 3.996 0 40 GHAB CN(C)CCN(C(=O)Cc1ccc(F)cc1)c1nc2c(F)cccc2s1 5268260 ANWOSQNKBPHWJF-UHFFFAOYSA-N 375.444 3.712 0 40 GHAB CCSc1nc(=O)c2c([nH]1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccccc1 17781393 SEQPDOKLJVFGOF-HNNXBMFYSA-N 385.489 3.665 0 40 GHAB COc1ccc(Cl)cc1NC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 22505664 WLUPILWTUHTLEI-UHFFFAOYSA-N 395.868 3.533 0 40 GHAB COc1ccccc1CC(=O)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219221214 NHLYIGSVFZMAAE-HXUWFJFHSA-N 385.485 3.673 0 40 GHAB Cc1nc(Nc2ccc(NC(=O)Cc3cccs3)cc2)cc(-n2cccn2)n1 49422516 OLEATTMFYBTTGF-UHFFFAOYSA-N 390.472 3.957 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC[C@@H](CCO)c1cccs1 575621055 NITWOXPPHGFMEX-HNNXBMFYSA-N 387.480 3.574 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 5099593 KMWUVFYDFFWIER-UHFFFAOYSA-N 396.468 3.982 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(N2CCOC2=O)c1 40074141 PJKLTHKMBHNTER-HXUWFJFHSA-N 391.427 3.546 0 40 GHAB O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)CSc2ccc3c(c2)CCC3)C1 40150271 AOXXUCSFNOUSGY-GOSISDBHSA-N 395.528 3.540 0 40 GHAB COC(=O)C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 40160216 VFMUKGPNPBBSIX-UHFFFAOYSA-N 383.288 3.749 0 40 GHAB COC(=O)c1ccccc1NC(=O)N1CCSC[C@H]1c1ccc(OC)cc1 32091431 DBBBMKOQKSHYBJ-SFHVURJKSA-N 386.473 3.804 0 40 GHAB O=C1Nc2cc(F)ccc2[C@@]12CC(O)=Nc1c2cnn1-c1cccc(Cl)c1 20726883 VTWSVTBFZCWFNU-LJQANCHMSA-N 382.782 3.895 0 40 GHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)C12CCCCC2 20724568 ITBRSANWNIIJOZ-HXUWFJFHSA-N 393.487 3.609 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2C)n1C 32579538 MPQNSMPOAFJOFO-UHFFFAOYSA-N 386.452 3.669 0 40 GHAB COc1ccc([C@@H](NC(=O)COc2ccccc2OC)c2ccccc2)cc1 21830620 ABQUEYURDGIJGI-QHCPKHFHSA-N 377.440 3.988 0 40 GHAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1 22807573 UKONFXGGPZPCST-LJQANCHMSA-N 389.952 3.539 0 40 GHAB COCCCN1COc2ccc3c(=O)c(-c4ccc(OC)cc4)c(C)oc3c2C1 54313714 RJSLXSHLTLBVLI-UHFFFAOYSA-N 395.455 3.965 0 40 GHAB biogenic CCCCOCCCNCc1cc(=O)oc2cc(NC(=O)OCC)ccc12 23642224 RGLJJAAHGOCGCN-UHFFFAOYSA-N 376.453 3.658 0 40 GHAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 791933 KWNMDAHJXAIAPZ-CYBMUJFWSA-N 396.871 3.519 0 40 GHAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NC(C)(C)C 905002 SZJDBLGWYCDJKD-UHFFFAOYSA-N 382.917 3.537 0 40 GHAB COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2OC)sc2c1CCC2 936280 BTZISOGCGSHXSY-CSKARUKUSA-N 387.457 3.693 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCc2c(C)[nH]c3ccc(F)cc23)cc1C 1074506 HVMOTHNESVIFLI-UHFFFAOYSA-N 390.480 3.762 0 40 GHAB COc1ccc(Cn2nnnc2[C@H](c2ccc(F)cc2)N2CCC(C)CC2)cc1 1330490 MSBFZSOMAIPIBS-NRFANRHFSA-N 395.482 3.690 0 40 GHAB CC(C)c1nc(N2CCN(C(=O)C3CC3)CC2)c2c3c(sc2n1)CCCC3 1377060 JQGVLMXISRDOAI-UHFFFAOYSA-N 384.549 3.752 0 40 GHAB CCOC(=O)c1c(C(=O)OCC)c2cccn2c2c1cnn2-c1ccccc1 1612518 VCMPKUHKJRODLS-UHFFFAOYSA-N 377.400 3.632 0 40 GHAB CCOC(=O)[C@H](NC(=O)Nc1ccc(Cl)cc1)P(=O)(OCC)OCC 2295025 UUABFVICPIZSHM-CYBMUJFWSA-N 392.776 3.617 0 40 GHAB O=C(COc1ncnc2ccc(Br)cc12)c1cc(F)ccc1F 2636085 CAHAXJIJLBBCPA-UHFFFAOYSA-N 379.160 3.932 0 40 GHAB Cc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)c(C)c1 2641998 OSGGDKLZLANPQZ-INIZCTEOSA-N 381.881 3.760 0 40 GHAB CCc1ccc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2C)cc1 2720581 HGAOOYSQGHQWHX-UHFFFAOYSA-N 392.484 3.708 0 40 GHAB Cc1cc(C)nc(NC(=O)c2cccc(C(=O)Nc3cc(C)cc(C)n3)n2)c1 2761166 HQGOLQFQCOQECU-UHFFFAOYSA-N 375.432 3.610 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@H](C)N2CCCCC2)sc2c1CC[C@H](C)C2 3345261 YNLGXYAZMOHRJF-KBPBESRZSA-N 378.538 3.863 0 40 GHAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)CC1(OCCO1)[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]12 3849971 HVWSAXRIUJFDOY-ZELOLHMESA-N 390.520 3.883 0 40 GHAB COc1ccc2cc(CCNC(=O)c3ccccc3C(F)(F)F)c(=O)[nH]c2c1 4032889 OTVXQUGDEUGHLY-UHFFFAOYSA-N 390.361 3.528 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccs1)N(CCCN(C)C)C3=O 4337802 OPMKPUQAGYVFLJ-GOSISDBHSA-N 382.485 3.660 0 40 GHAB COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1OC 4479353 LEZLHZOUWZTVQK-UHFFFAOYSA-N 398.440 3.851 0 40 GHAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)Oc2ccccc2)c2ccco2)cc1 4519032 YIURAQCCZOEEJG-LJQANCHMSA-N 385.441 3.892 0 40 GHAB CC(=O)C[C@]1(O)C(=O)N(CCOc2cccc3ccccc23)c2c(C)cccc21 4987997 SBSQMOIRUPITFA-XMMPIXPASA-N 389.451 3.741 0 40 GHAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc(C)cc2)c2ccccc21 5086978 VQIQGMVRKMLCNI-UHFFFAOYSA-N 391.471 3.640 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1Br 5953282 NYVVCNPRGGCYJM-UHFFFAOYSA-N 392.249 3.952 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 6060629 VCSGMZJZDBZCDH-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1sccc1C 6287349 OQIUKWQPEVJRNT-UHFFFAOYSA-N 378.519 3.792 0 40 GHAB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2)cc1 6326700 XDFKBQJAQZXBHB-UHFFFAOYSA-N 394.924 3.846 0 40 GHAB O=C(CSc1nccc2ccccc12)N1CCN(c2ccc(F)cc2)CC1 6403010 LWZLMJZTOSIIKY-UHFFFAOYSA-N 381.476 3.815 0 40 GHAB Cc1ccc2c(CSCc3cc(=O)n4c(C)csc4n3)cc(=O)oc2c1 6552999 NYMKOHREOSYDAD-UHFFFAOYSA-N 384.482 3.913 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccccc1C(=O)NCc1ccccc1 6638081 ZZPFKMFXHAMLEG-PXNSSMCTSA-N 380.488 3.690 0 40 GHAB CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCc3cccnc3)c12 6658934 JUCDXEKMZYKXGG-MRXNPFEDSA-N 394.471 3.923 0 40 GHAB COc1ccc(N2C(=O)C[C@]2(C(=O)NC2CCCCC2)c2ccsc2)cc1 6669942 OAEJSSOGKQGHJK-OAQYLSRUSA-N 384.501 3.838 0 40 GHAB CCCN1C(=O)[C@](Nc2cccc(C)n2)(C(F)(F)F)N=C1c1ccccc1 6759199 BBHPWGVDSYCADN-GOSISDBHSA-N 376.382 3.760 0 40 GHAB Cc1cc(C)c2nc(SCC(=O)NC(=O)NCc3ccco3)cc(C)c2c1 6788619 WTTIAVKZWBJYCX-UHFFFAOYSA-N 383.473 3.871 0 40 GHAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccccc4O)CC3)o2)cc1 6822226 NEQKOFRPIZFFIN-UHFFFAOYSA-N 390.439 3.817 0 40 GHAB C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)C(=O)NC1CC1 6886592 PSDYIWIPANTKJV-GFCCVEGCSA-N 399.903 3.798 0 40 GHAB O=S(=O)(NCCOc1ccccc1)c1cc(C(F)(F)F)ccc1Cl 7304372 QLOXWQUBICEYGU-UHFFFAOYSA-N 379.787 3.716 0 40 GHAB CCc1nnc(S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)O)o1 7364479 GPPOMXQEUXLLGN-UVTDQMKNSA-N 386.389 3.549 0 40 GHAB O=C(/C=C/c1cccs1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 7696728 MGOVPAZUHINJQA-BQYQJAHWSA-N 382.441 3.619 0 40 GHAB COc1cc2c(cc1C[C@@H]1SC(=O)N(CCCc3ccccc3)C1=O)OCO2 8114119 FLWULPCHXDXZQK-IBGZPJMESA-N 399.468 3.663 0 40 GHAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nnnn2C2CC2)cs1 8229756 QWTJGHJSXCHFBG-UHFFFAOYSA-N 386.506 3.750 0 40 GHAB COc1ccccc1OCC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 8276399 XFNLYFYUPQIGBO-JOCHJYFZSA-N 385.460 3.749 0 40 GHAB CCCCCn1nc(C(=O)Nc2nc3c(s2)CCC3)c2ccccc2c1=O 8327890 FIVSAIKQRQSRKR-UHFFFAOYSA-N 382.489 3.784 0 40 GHAB CN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1cnn(Cc2ccccc2)c1 9057946 GONGCOYCCDTZTL-QHCPKHFHSA-N 388.515 3.557 0 40 GHAB Cc1nc2c(C)cccn2c(=O)c1NC(=O)COc1ccc(Cl)cc1Cl 9617392 LLNBWSXDAPQXNH-UHFFFAOYSA-N 392.242 3.636 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 9691366 KQZAZJDMXSSRGK-LLVKDONJSA-N 386.395 3.703 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)c2ccccc2)cc1 10129230 OSRXWSQCLJVRTP-XLIONFOSSA-N 388.533 3.565 0 40 GHAB O=C(Nc1cccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1)C1CC1 10668475 BOSQQBVAFNITNH-UHFFFAOYSA-N 399.299 3.820 0 40 GHAB CCOc1ccc([C@H](C)NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 10978503 GYYMMKYCPAAJMH-LBPRGKRZSA-N 395.286 3.999 0 40 GHAB O=C(Cc1csc(COc2ccc(F)cc2)n1)Oc1ccc2c(c1)OCO2 11611336 BPJUUIDMMQNGDG-UHFFFAOYSA-N 387.388 3.738 0 40 GHAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc2ccccc2c1 11615697 DBEUSIDMCGMVJO-UHFFFAOYSA-N 384.457 3.998 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 12088629 SIIXRFLKNGJEPK-KRWDZBQOSA-N 393.516 3.940 0 40 GHAB CC[C@@H](C(=O)N1CCC(O)(c2cccc(C)c2)CC1)n1cnc2ccccc21 12148704 OKPNZZGMKJNKDS-FQEVSTJZSA-N 377.488 3.806 0 40 GHAB CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)C1CCCCC1 12182523 PWNJANQZTPESEG-MRXNPFEDSA-N 389.446 3.664 0 40 GHAB Cc1cccc(CC(=O)N2CCC[C@H](c3nc(O)cc(-c4ccncc4)n3)C2)c1 12256944 PVLOJADQCNMDQG-IBGZPJMESA-N 388.471 3.501 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1 12284661 XYGTYRCCYVCQHE-INIZCTEOSA-N 380.423 3.726 0 40 GHAB COc1ccc(CCNC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)cc1 12507053 HCXUZLRAWOAFED-GOSISDBHSA-N 381.520 3.845 0 40 GHAB CCCCn1c(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)nc(C)c1C 12740751 QUOHIEWOLAOJPW-LBPRGKRZSA-N 380.539 3.580 0 40 GHAB CCCc1ccc(-c2csc(NC(=O)c3cccc(-n4cnnn4)c3)n2)cc1 12788235 KUSCWZWPSVBABU-UHFFFAOYSA-N 390.472 3.991 0 40 GHAB CCC(CC)c1nnc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)s1 12975405 YYKNRVMZMCSYLU-CYBMUJFWSA-N 392.550 3.994 0 40 GHAB CC[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713261 UYQMQZNFJSXWBJ-GOSISDBHSA-N 394.924 3.509 0 40 GHAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccccc1 14237140 MWMBKEBREZKUEC-KBXCAEBGSA-N 394.924 3.520 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1 15554146 RCLNVSZCCLLWQC-OAQYLSRUSA-N 396.468 3.819 0 40 GHAB COc1ccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccccc3)no2)cc1 15675506 IYJYNULMIPBHKO-FQEVSTJZSA-N 387.443 3.768 0 40 GHAB biogenic,in-vitro COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc(C)cc2)c2ccco2)cc1 15781203 KLWFTSYONWGFPK-HXUWFJFHSA-N 399.468 3.542 0 40 GHAB Cc1cc2oc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cc(=O)c2cc1C 15859925 JZXJERGNXGNTJY-KRWDZBQOSA-N 380.444 3.570 0 40 GHAB Cc1cc(S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc12 16774868 LKYNMHIFCLPLKJ-GFCCVEGCSA-N 378.457 3.832 0 40 GHAB C[C@@H]1C[C@@H](C)[C@@H]2N(C1)c1cc(Cl)ccc1CC21C(=O)OC(C)(C)OC1=O 16957440 FYAHIASZIXZWBI-HSMVNMDESA-N 377.868 3.570 0 40 GHAB Cc1cc(C(=O)OCc2nc(N)c3ccccc3n2)c(C)n1Cc1ccco1 18340535 NWFRZJCYSAKWFT-UHFFFAOYSA-N 376.416 3.629 0 40 GHAB Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 19290052 VWFMKSCSTMPQBL-HXUWFJFHSA-N 378.451 3.918 0 40 GHAB COc1ccc(C(=O)Nc2cccc(-n3cccn3)c2)cc1CN1CCCC1 19714663 OJMBQXAEYSVNPG-UHFFFAOYSA-N 376.460 3.729 0 40 GHAB CCc1c(C(=O)Nc2ccccc2OC(F)(F)F)cnn1-c1ccccn1 19910873 RDQAPLQUQGPLHN-UHFFFAOYSA-N 376.338 3.981 0 40 GHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2ccc(C)c(C)c2)cc1 19946945 KSROXNQFUYVQIV-UHFFFAOYSA-N 388.533 3.722 0 40 GHAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1Br 20009083 LGMKKINBNVIWHJ-GFCCVEGCSA-N 396.306 3.734 0 40 GHAB COc1ccc(NC(=O)[C@H](CC(C)C)N2Cc3ccccc3C2=O)c(OC)c1 20730060 MEHDXHHRWCFCLF-IBGZPJMESA-N 382.460 3.713 0 40 GHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC(C)C)C12CCCCC2 20745527 XBHNPDZYNVUGBK-FQEVSTJZSA-N 386.536 3.738 0 40 GHAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccccc1OC[C@H]1CCCO1 21901279 DKRBIZAVOBKNEW-GOSISDBHSA-N 375.428 3.954 0 40 GHAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C1CCCCC1 22251208 DJDDWCMOXYQUAU-UHFFFAOYSA-N 392.565 3.537 0 40 GHAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)c(Cl)c1 23127752 JMVQKWHMNGXGEV-SFHVURJKSA-N 379.287 3.797 0 40 GHAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](c1ccccc1)N1CCOCC1 23761883 QGJXJXQCLPMZSU-DNVCBOLYSA-N 392.421 3.897 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1nc(SC)ncc1Cl)O[C@@H](C)C2 25609510 NGTNAFGSSRCIOA-VIFPVBQESA-N 379.869 3.826 0 40 GHAB COc1cc(N[C@H](C)C2=N[C@H]3SC(C)=C(C)[C@@H]3C(=O)N2)c(OC)cc1Cl 28616932 FGBBVJYNQHQRIF-GSNHRHSFSA-N 395.912 3.669 0 40 GHAB CCCC[C@@H](CC)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 29431083 GNCPTGYLYAOSHD-QGZVFWFLSA-N 380.554 3.726 0 40 GHAB O=C1C[C@@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1ccc(F)c(Cl)c1 30903944 CUSMTWNNLLMQSI-LJQANCHMSA-N 397.837 3.651 0 40 GHAB CCc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc1 30999798 NGJVAVSETVCAMI-IBGZPJMESA-N 390.487 3.661 0 40 GHAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCN(c2nsc3ccccc23)CC1 32070531 ZNAJWHMYZTZKMG-LJQANCHMSA-N 392.484 3.726 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)NC1CCCCC1 35312698 GSBFVTVGPZOVHJ-UHFFFAOYSA-N 386.477 3.720 0 40 GHAB O=C(O)c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)S2 35340650 WEJGYGJTWBMRQL-UHFFFAOYSA-N 385.422 3.585 0 40 GHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(Br)c2)N1 36025429 BCRWILRGPQSYPJ-DLBZAZTESA-N 385.261 3.707 0 40 GHAB biogenic COc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1C 36624336 NVWYZSCQQRSJJZ-UHFFFAOYSA-N 388.895 3.624 0 40 GHAB O=C(CN1CCC(Cn2cnc3ccccc32)CC1)Nc1ccc(F)cc1F 38535511 ZVBZTSNGSQSNOI-UHFFFAOYSA-N 384.430 3.665 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)C1CCN(Cc2ccccc2Cl)CC1 39773352 PXKMTVPQENZOLT-UHFFFAOYSA-N 386.879 3.962 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc(NC(N)=O)c2)C1 40091121 JUHVPYDWZOICOV-GASCZTMLSA-N 394.475 3.548 0 40 GHAB CN(C(=O)CNC(=O)NCc1ccccc1)C1CCC(c2ccccc2)CC1 40146801 ARTITSXKCDWKOF-UHFFFAOYSA-N 379.504 3.671 0 40 GHAB CCOC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3cccc4ccccc34)ccc12 40397945 HHINYRGAUSECBO-UHFFFAOYSA-N 398.422 3.672 0 40 GHAB CC(C)[C@@H](CNC(=O)c1ccccc1SC[C@@H]1CCCO1)N1CCCC1 42555597 SEVKKHPCMCBKBA-PKOBYXMFSA-N 376.566 3.808 0 40 GHAB Cc1cc(F)c2c(c1)CCCN2C(=O)Cn1cnc2c(oc3ccccc32)c1=O 43247458 UOQWRWFJYJPWPY-UHFFFAOYSA-N 391.402 3.570 0 40 GHAB O=c1c2cc(Cl)cc(Cl)c2ncn1CCCS(=O)(=O)c1ccccc1 48186602 HARGSIAEFDRLGR-UHFFFAOYSA-N 397.283 3.567 0 40 GHAB C[C@H](C(=O)Nc1nc2c(s1)CCCC2)n1nc(-c2ccc(F)cc2)ccc1=O 49025901 XIYSVRWALMBTGT-GFCCVEGCSA-N 398.463 3.584 0 40 GHAB Cc1ccccc1C(=O)NCC(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 53406229 BAKVQKSCBHGPLG-UHFFFAOYSA-N 391.446 3.661 0 40 GHAB CC1CCN(CCCCNC(=O)N[C@H]2CCCOc3ccc(F)cc32)CC1 54785059 KMJDFNDEMALWIZ-IBGZPJMESA-N 377.504 3.851 0 40 GHAB C[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H](c2ccccc2)O1 58417694 BUPSWTYDLZRXCJ-FZMZJTMJSA-N 390.281 3.652 0 40 GHAB O=C1c2ccccc2C(=O)N1CCc1csc2nc(-c3cccs3)cn12 61997453 YCZARHHXMMEPCG-UHFFFAOYSA-N 379.466 3.963 0 40 GHAB COCCN(C(=O)c1cccn(Cc2ccccc2)c1=O)[C@H](C)c1ccccc1 65540035 UINCTRILRONNIP-LJQANCHMSA-N 390.483 3.746 0 40 GHAB C[S@@](=O)Cc1cccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1 69458103 DVHDFDQQZHUNDF-MHZLTWQESA-N 379.441 3.954 0 40 GHAB O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)NCC1CCOCC1 72404256 SYIUPYICVKCHTF-UHFFFAOYSA-N 378.472 3.763 0 40 GHAB CC(C)n1cc(C(=O)N2CCN(CCc3ccccn3)CC2)c2ccccc21 79492581 LKAJVPCMXQZWOV-UHFFFAOYSA-N 376.504 3.618 0 40 GHAB Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)no2)cc1 96105649 JKFMQTZRUBDIBX-UHFFFAOYSA-N 376.460 3.624 0 40 GHAB Cc1ccc(CN2C[C@H]3CN(Cc4ccnc5ccccc45)CCN3C2=O)cc1 96269152 ABKNRZUOGSNIPN-OAQYLSRUSA-N 386.499 3.665 0 40 GHAB biogenic,in-vitro COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)c1 100838401 BOZIWKLEYKRMHR-VHKYSDTDSA-N 393.439 3.840 0 40 GHAB C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 103028420 MHJOGDJMUSFXMV-YFSOCPOTSA-N 381.419 3.774 0 40 GHAB CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1ccccc1F)S(C)(=O)=O 113967793 QSIQUCARKVHCJW-QGZVFWFLSA-N 378.469 3.626 0 40 GHAB CC[C@H](C)Oc1c(/C=c2\sc3nc4ccccc4n3c2=O)cccc1OC 197791015 VCHINAAEBUHKEG-CYUIRQCWSA-N 380.469 3.643 0 40 GHAB O=C(CSCc1ccccc1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 206840023 WSHQKJHPWDKYGU-GOSISDBHSA-N 395.484 3.595 0 40 GHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 222890611 QQOKIWLZUJNWJT-UXHICEINSA-N 377.517 3.709 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(C)cc1 222937275 LXDFYYAOLYSNLW-MRXNPFEDSA-N 388.508 3.780 0 40 GHAB O=C(NCCc1ccccc1)[C@H]1CN(C(=O)C2CCCCC2)c2ccccc2O1 222973069 KVYCAJIUTCCXHB-JOCHJYFZSA-N 392.499 3.720 0 40 GHAB O=S(=O)(Cc1c(F)cccc1Cl)NCC1(c2ccccc2)CCOCC1 223866209 NQMPWVZAVQXVLD-UHFFFAOYSA-N 397.899 3.647 0 40 GHAB COc1ccccc1OCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 224331529 WMEHPXKBWVVXQL-UHFFFAOYSA-N 382.504 3.736 0 40 GHAB COc1cccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 224331747 GXKVEOGSMQJISH-UHFFFAOYSA-N 382.504 3.736 0 40 GHAB CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1ccc(C(F)(F)F)cc1 224355946 CBFRZIQMHJYZQG-UHFFFAOYSA-N 393.413 3.804 0 40 GHAB COc1cc(NC(=S)NC(=O)C(C)(C)C)ccc1-c1ccc(C(=O)O)o1 226351546 ISPUZJWLACRKAJ-UHFFFAOYSA-N 376.434 3.513 0 40 GHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccccc2C(C)=O)CC1=O 408662968 NAUSGLNVICBKSH-CYBMUJFWSA-N 387.819 3.510 0 40 GHAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1OCC 408696699 DQRGJTIQUFVTGM-UHFFFAOYSA-N 390.505 3.759 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)NCCCCc3ccccc3)CC2=O)cc1 408707088 GTHJTLNAKHEQDW-LJQANCHMSA-N 380.488 3.577 0 40 GHAB C[C@H]1CN(c2ccc(NC(=O)c3sccc3-n3cccc3)cn2)C[C@@H](C)O1 527273773 UDIOFRSVRMRSJX-GASCZTMLSA-N 382.489 3.800 0 40 GHAB CCc1oc2ccccc2c1CC(=O)N[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 529203384 PUDFUVUTFBEXMI-XMHCIUCPSA-N 381.428 3.505 0 40 GHAB Cc1cnc(O)n1-c1cccc(-c2noc(Cc3cc4ccccc4nc3O)n2)c1 547064272 FSABELQOBWBLPW-UHFFFAOYSA-N 399.410 3.781 0 40 GHAB O=S1(=O)CCCN1c1cc(N[C@@H]2CCC[C@H](c3cccnc3)C2)ccc1F 569744442 MZDGNVCKOIPSFD-DOTOQJQBSA-N 389.496 3.899 0 40 GHAB O=C(Nc1ccccc1Cn1cncn1)NC1(c2c(F)cccc2F)CCC1 626311403 BSUYDAMCYPFOOG-UHFFFAOYSA-N 383.402 3.806 0 40 GHAB Cc1nc(C(=O)N2CCCC[C@H]2[C@H]2CCCNC2)nn1-c1ccccc1C(C)C 658945113 VWFXMPZCVZSDNP-ICSRJNTNSA-N 395.551 3.693 0 40 GHAB Cc1nc(CN2CC3(CCC2=O)CCN(C(=O)c2ccsc2)CC3)cs1 1565543180 GFVYWNUURRDUSD-UHFFFAOYSA-N 389.546 3.558 0 40 GHAB CC[C@H](C)CCC(=O)N1CCCCC[C@@H](Nc2cc(-n3ccnc3)ncn2)C1 1615611237 YIYWAFGWWPPMMF-ZWKOTPCHSA-N 384.528 3.672 0 40 GHAB COc1cc2ncc(-c3nnnn3-c3ccc(Cl)cc3)c(C)c2cc1OC 721401 SSTRZLDJDMSBAF-UHFFFAOYSA-N 381.823 3.857 0 40 GHAB CCOc1ccc(-n2nc3ccc(NC(=S)NC(=O)CC(C)C)cc3n2)cc1 724362 FGHGXKVGBRDIOI-UHFFFAOYSA-N 397.504 3.678 0 40 GHAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 803518 WOTMTGNFHJPJNV-UHFFFAOYSA-N 380.366 3.803 0 40 GHAB COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)NC[C@H]1CCCO1 876232 FPDUHLZGVORRTA-RNKPHZFSSA-N 378.428 3.583 0 40 GHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1nc2ccc(F)cc2s1 1256109 ABCOCRYVQYNSHZ-UHFFFAOYSA-N 391.449 3.579 0 40 GHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)CC)cc2c1 1366966 GCHUHTYBDYLHKQ-UHFFFAOYSA-N 394.471 3.874 0 40 GHAB C[C@H]1CCc2c(sc3nc(SCC(=O)NC4CCCCC4)[nH]c(=O)c23)C1 1368052 FVDONLZCDATMCG-NSHDSACASA-N 391.562 3.650 0 40 GHAB O=C(O[C@H]1CCS(=O)(=O)c2sccc21)c1cccc(C(F)(F)F)c1 1393984 XZZUWUWFAWAUSF-LBPRGKRZSA-N 376.377 3.842 0 40 GHAB C[C@H]1CC(=O)O[C@@H](C(=O)c2ccccc2)N1c1ccc(C(F)(F)F)cc1N 1613400 LQUBXNYLNJMAAV-VOJFVSQTSA-N 378.350 3.638 0 40 GHAB O=C(C(c1ccccc1)c1ccccc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2097528 URKIDNVUCZEQRR-GHTZIAJQSA-N 384.479 3.626 0 40 GHAB biogenic Cc1ccc(NC2=Nc3nc(C)cc(=O)n3[C@H](c3ccc(F)cc3)N2)c(C)c1 2236954 BBTWRJXZHONWPO-LJQANCHMSA-N 377.423 3.557 0 40 GHAB Cc1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 2711585 BEVLFZDNWHSUDB-UHFFFAOYSA-N 380.922 3.942 0 40 GHAB CCOc1ccc(-c2nc(CSc3nnc(N)s3)cs2)cc1OC 3344044 FBBQSZQQIRBAGF-UHFFFAOYSA-N 380.520 3.943 0 40 GHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)c(OC)c1 4262964 WQVWBEJAKLWSPF-HXUWFJFHSA-N 395.459 3.587 0 40 GHAB CCc1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1-n1cccc1 4518512 KMCZPMJEQGURDZ-UHFFFAOYSA-N 375.885 3.646 0 40 GHAB CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1C(F)(F)F 4944587 LEAFZZYITAVEIU-NSHDSACASA-N 397.422 3.775 0 40 GHAB Cc1nc2ccc(I)cc2c(=O)n1CCc1ccccc1 5024563 JZGKPVOVWPGWSD-UHFFFAOYSA-N 390.224 3.552 0 40 GHAB Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1CCc1cccs1 5184823 MFXRACKVQSGDRR-UHFFFAOYSA-N 392.480 3.888 0 40 GHAB COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1ccc(F)c(F)c1F)CC2 5389102 XWMRTCZOECGSQS-NSHDSACASA-N 394.393 3.679 0 40 GHAB CC(=O)Oc1cccc2c1C(=O)C(Br)(Br)CCC2 5712429 AHMPDCNURKIVJX-UHFFFAOYSA-N 376.044 3.617 0 40 GHAB COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccccc2)cc1 5986248 KCZMYUJDQHMEMN-UHFFFAOYSA-N 399.450 3.774 0 40 GHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2C 6567025 DQJROXVHESZCDN-UHFFFAOYSA-N 398.850 3.804 0 40 GHAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccccc2Cl)C1=O 6627399 DZFORGGVPPURGS-GOSISDBHSA-N 380.778 3.909 0 40 GHAB CCOC(=O)c1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 6900566 MPKXYDUYZVLDLZ-UHFFFAOYSA-N 391.423 3.815 0 40 GHAB Cc1ccc(Nc2nc(N3C[C@H](C)O[C@@H](C)C3)nc3c2cnn3C)cc1Cl 6941298 POXUOHXNMMKGLF-STQMWFEESA-N 386.887 3.682 0 40 GHAB Cc1ccc(NC(=O)COc2ccc(I)cc2)c(C)c1 7034778 VVMOELUFFPUFKN-UHFFFAOYSA-N 381.213 3.926 0 40 GHAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1cccc(NC(C)=O)c1 7424754 LTQIBHQGOWSHGU-UHFFFAOYSA-N 381.384 3.925 0 40 GHAB Cc1cc(C)nc(SCC(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)n1 7737301 GOMQSHPNGTZDCT-UHFFFAOYSA-N 384.457 3.652 0 40 GHAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 7985642 GVYJWQIEYHXPKG-QFQMRYFISA-N 392.499 3.824 0 40 GHAB COc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1 8093034 PWONRXKWMSMUJE-HNNXBMFYSA-N 379.460 3.627 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1F 8169446 GVBDSEUFJQYBLT-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1csc(-c2cccs2)n1 8328785 VDDFTFUGEYNDCV-LJQANCHMSA-N 397.481 3.601 0 40 GHAB CC(C)c1ccccc1OCC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 8349627 GEEAKXFUSUZTMQ-KRWDZBQOSA-N 378.476 3.989 0 40 GHAB O=C(NC[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1)Nc1ccc(Cl)cc1 9066733 ZZLGAGUXODOBKP-CQSZACIVSA-N 375.831 3.649 0 40 GHAB O=C(CC1CCCC1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 9219388 KEDPUJTZIRBKRS-UHFFFAOYSA-N 380.444 3.864 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccccc1)S2 9294981 WALNJZNBNAKOMQ-RBUKOAKNSA-N 393.516 3.937 0 40 GHAB COc1ccccc1CNC(=O)NCc1ccc(COCC(F)(F)F)cc1 9756784 ALFHSRJZBRADHK-UHFFFAOYSA-N 382.382 3.774 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCO[C@@H](C)C3)cc12 9853782 PPEKUPYCUDXELZ-LBPRGKRZSA-N 389.908 3.969 0 40 GHAB COc1cc(CSc2ncc(CO)n2Cc2ccc(F)cc2)cc(OC)c1 10336420 IYSIWQVPGLLSSE-UHFFFAOYSA-N 388.464 3.872 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O 10449877 NDYDVNNGVLVNFE-LSDHHAIUSA-N 392.480 3.715 0 40 GHAB Cc1cc(NC(=O)c2cccc(N3CCCC3=O)c2)ccc1N1CCCC1=O 11682091 YHUNQWSUIDPYHN-UHFFFAOYSA-N 377.444 3.501 0 40 GHAB Cc1ccc2c(C)c(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)oc2c1C 12143542 FPLWOBMQVNXXRF-UHFFFAOYSA-N 381.476 3.530 0 40 GHAB Cc1cnc(-c2nc([C@@H]3CCCN(C(=O)c4csc(C)c4C)C3)no2)cn1 12187809 QVYGKRQFPGQGSZ-CQSZACIVSA-N 383.477 3.533 0 40 GHAB Cc1ccc2c(c1)[C@H](NC(=O)CCc1cccc(C)n1)CC1(CCOCC1)O2 12337444 VUMODGHIZCYSOY-HXUWFJFHSA-N 380.488 3.820 0 40 GHAB FC(F)(F)c1nc(NCc2ccccc2)c2nnn(Cc3ccccc3)c2n1 12481344 QIBSQSHKWNCGTP-UHFFFAOYSA-N 384.365 3.901 0 40 GHAB Cc1cc(=O)oc2cc(O[C@@H](C)c3nc(N)nc(Nc4ccccc4)n3)ccc12 12517440 HHBVMJHYOADOOP-ZDUSSCGKSA-N 389.415 3.752 0 40 GHAB Cc1nc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)cs1 12561443 QENGFSXYINLSJG-IBGZPJMESA-N 379.441 3.994 0 40 GHAB O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)C(=O)N1CCc1cccs1 12796191 GPCOMZGSBHQNSL-UHFFFAOYSA-N 390.464 3.949 0 40 GHAB Cc1c(CC(=O)N(C)CCO)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 12895071 RKRCMYLIDGXTDE-UHFFFAOYSA-N 391.423 3.508 0 40 GHAB biogenic O=C(Cc1noc2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12898628 YEDFTNQKRVCEEV-GOSISDBHSA-N 378.428 3.895 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)c1 12910578 BOHMEPJBNUHOQM-UHFFFAOYSA-N 385.489 3.953 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 12971587 ARIWLJUERVTYDY-MGPUTAFESA-N 386.467 3.857 0 40 GHAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Oc1ccccc1Cc1ccccc1 13146363 ZJJOWNWGAXJHNC-PMACEKPBSA-N 391.467 3.748 0 40 GHAB COc1cc(C(=O)Nn2cnc3ccccc32)ccc1OCc1c(C)noc1C 14242105 FGJKYTWWHCNBET-UHFFFAOYSA-N 392.415 3.613 0 40 GHAB Fc1ccc(-c2nnn(CN3CCC[C@H]3c3nc4ccccc4s3)n2)cc1 14248597 VUHLSSTYAZLTJV-INIZCTEOSA-N 380.452 3.884 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 14893154 DQARTKPQNLZEFE-UHFFFAOYSA-N 390.823 3.721 0 40 GHAB O=S(=O)(NCc1ccccc1CN1CCCCC1)c1ccc(F)c(F)c1F 15360769 OOKUZXDWKBJEMJ-UHFFFAOYSA-N 398.450 3.568 0 40 GHAB Cc1cccc2nc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C(F)(F)F)cn12 16993603 HEBUYWKGCFIESG-GFCCVEGCSA-N 391.349 3.846 0 40 GHAB CC(C)C(=O)N1CCC[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1 19085396 WPBGWRLOWQWMKD-QHCPKHFHSA-N 382.479 3.785 0 40 GHAB Fc1ccc(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1 19798644 YFDPWQKKUHMUOG-UHFFFAOYSA-N 384.480 3.531 0 40 GHAB Cc1c(C(=O)Nc2cc(F)cc(F)c2)nnn1-c1ccc(OC(F)F)cc1 19911255 XHIAKCQRAVCYLS-UHFFFAOYSA-N 380.301 3.708 0 40 GHAB CCCOc1ccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)cc1 20609812 BOTJKTWGCNQCCP-UHFFFAOYSA-N 379.445 3.894 0 40 GHAB Cc1csc2nc(COc3ccc(NC(=O)c4cccs4)cc3)cc(=O)n12 21369074 TVPRIEDLOLPZKY-UHFFFAOYSA-N 397.481 3.957 0 40 GHAB Cc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1cccc(Cl)c1 21535892 YUUAYWCSSKFHSS-UHFFFAOYSA-N 381.779 3.675 0 40 GHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc2c3c(cccc13)CC2 22276194 NLQULGDBVGCVRI-UHFFFAOYSA-N 386.495 3.701 0 40 GHAB Cc1cccc(OCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C 24475965 LYIXLPQMRYSIOA-UHFFFAOYSA-N 379.460 3.509 0 40 GHAB COC(=O)/C=C/c1ccc(OCc2nc(-c3ccc(F)cc3)no2)c(OC)c1 24923655 WPSUVLITKRGCFK-ONNFQVAWSA-N 384.363 3.650 0 40 GHAB CCOc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)no2)cc1 27579992 KGRPCBBLBURYNU-UHFFFAOYSA-N 391.471 3.698 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)C1 29570068 QQIQPLVRWGWJNP-INIZCTEOSA-N 393.443 3.614 0 40 GHAB O=C(c1cnc2sccn2c1=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 29839734 WODNKIGZJIDLHU-IBGZPJMESA-N 387.464 3.544 0 40 GHAB COc1ccc(CCNC(=O)c2sc(-c3ccncc3)nc2C)cc1OC 31868071 QVLKLSZJBRAGGK-UHFFFAOYSA-N 383.473 3.503 0 40 GHAB COc1ccc(-c2nc(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)cs2)cc1 32729764 CPGMGEAFUJTDPF-IBGZPJMESA-N 399.491 3.991 0 40 GHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)N[C@H](C)CCc1ccccc1 32779642 XCNBBYBJQQNIQP-SJORKVTESA-N 388.533 3.814 0 40 GHAB O=C(NCc1ccccc1)NC1(C(=O)Nc2cnc3ccccc3c2)CCCC1 32907977 BLNQQMQPFRIUTK-UHFFFAOYSA-N 388.471 3.986 0 40 GHAB CC(C)C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 32958344 JSJBXROAMHVGOI-PLACYPQZSA-N 394.515 3.546 0 40 GHAB CSc1ccc(C(=O)CCC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 33024118 WJFJUHTYMGMYOF-INIZCTEOSA-N 385.485 3.670 0 40 GHAB CCOC(=O)N1CCN(C(=O)c2ccccc2SCc2ccsc2)CC1 36892896 UYOJZQCGXOMGER-UHFFFAOYSA-N 390.530 3.955 0 40 GHAB CN(Cc1nc2ccccc2n1C(F)F)S(=O)(=O)c1c(F)cccc1F 37170316 GZOXOVCXNWTJSA-UHFFFAOYSA-N 387.358 3.530 0 40 GHAB O=C(c1ccccc1)N1CCN(c2cc(Oc3ccccc3Cl)ncn2)CC1 37355853 IWCYHWIGOYFDTA-UHFFFAOYSA-N 394.862 3.885 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(OCc3nccn3C)cc2)c1 40119425 YCQIBLPFZHPDGB-OAHLLOKOSA-N 395.459 3.507 0 40 GHAB O=C(CSc1ccc(Cl)cc1)Nc1ccccc1CN1CCOCC1 40156883 HOFUWYVHEGRWAE-UHFFFAOYSA-N 376.909 3.903 0 40 GHAB COc1ccc2cc(COC(=O)CCn3cnc4ccccc4c3=O)ccc2c1 44035378 AFCQYQOUARAPRU-UHFFFAOYSA-N 388.423 3.692 0 40 GHAB CN(CCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 44916660 NJKBRRYXZNFFGG-LJQANCHMSA-N 385.939 3.805 0 40 GHAB O=S(=O)(Nc1ccccc1-n1cccn1)c1ccccc1OC(F)(F)F 48353793 QNQUAPSOHDXTLJ-UHFFFAOYSA-N 383.351 3.572 0 40 GHAB O=C(CSc1nccc(N2CCCC2)n1)Nc1cccc(Br)c1 49399609 ZTGCKXNASXDSLB-UHFFFAOYSA-N 393.310 3.570 0 40 GHAB CCc1nc(-c2ccc(-n3ccc(C(=O)NCc4ccccc4F)n3)cc2)no1 49408724 SGCYNVZWHKNKFA-UHFFFAOYSA-N 391.406 3.554 0 40 GHAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H]1c1cccc(Br)c1 52213850 AGPIIRVQZLVKKI-OAHLLOKOSA-N 377.286 3.565 0 40 GHAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)N(C)c3cccc(C)c3C)c2C)n1 55897163 DDAAWEBJOAEUJE-UHFFFAOYSA-N 377.492 3.718 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 57291873 RQXMZFKMCMLDBS-CRAIPNDOSA-N 383.458 3.522 0 40 GHAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)NCc1ccc(F)cc1 57486658 ZUTUVZSGBBVJOK-UHFFFAOYSA-N 394.381 3.800 0 40 GHAB CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCOC2)c2c[nH]c3ccccc23)cc1 58208875 VSFUKRVDFFRJBG-XLIONFOSSA-N 377.488 3.519 0 40 GHAB CC(=O)Nc1ccc2nc(S[C@H](C)C(=O)Nc3nccs3)sc2c1 59489607 HIFOAKDWGDTSFN-MRVPVSSYSA-N 378.504 3.831 0 40 GHAB CS(=O)(=O)Nc1cc(C(=O)NCc2cccc3ccccc23)ccc1Cl 61378985 DRABCWNPJJCODG-UHFFFAOYSA-N 388.876 3.795 0 40 GHAB COc1cccc(-c2cccc([C@@H]3CCCN(CC(=O)N4CCCCC4)C3)n2)c1 72348699 SMOLOGPCSXIAJF-HXUWFJFHSA-N 393.531 3.949 0 40 GHAB CN1CCC(C(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)CC1 72350374 UPVNLASLZHYCFK-IBGZPJMESA-N 381.495 3.936 0 40 GHAB COc1cccc(S(=O)(=O)N(CCc2cccs2)Cc2ccco2)c1 77183982 YNKAGUVPFYDGJO-UHFFFAOYSA-N 377.487 3.783 0 40 GHAB O=C(c1ccc(CN2CCCC2)cc1)N1CCC2(CC1)OCc1ccccc12 77974881 PTSQJHQWGGBKCM-UHFFFAOYSA-N 376.500 3.944 0 40 GHAB O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@@H]1c1ccc[nH]1 84558656 JNTNUCKKDQEQBI-OAQYLSRUSA-N 394.496 3.966 0 40 GHAB CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)/C=C/COCc1ccccc1 95941727 CKHJUMLEWZSRIW-VPFXQZGESA-N 381.472 3.912 0 40 GHAB NC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)nc1 95947206 PFFHGCHLCZNXBS-UHFFFAOYSA-N 393.255 3.863 0 40 GHAB COc1ccc(C)nc1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 95963057 FTLJXQIKBDFMFT-UHFFFAOYSA-N 396.468 3.625 0 40 GHAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 100439079 ONBUIYNTGMIXGT-JKSNUHTCSA-N 396.512 3.972 0 40 GHAB COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(CCO)c(=N)c32)cc1 101094366 SMWHXNBPZMKFOS-HXUWFJFHSA-N 399.450 3.803 0 40 GHAB O=C(Nc1ccccc1Cl)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 101183084 IVCLPPATURSDDN-TWKYDXJASA-N 392.842 3.904 0 40 GHAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1sc2ccccc2c1Cl 102197880 KEWXNHHWMZCEDU-CQSZACIVSA-N 396.921 3.537 0 40 GHAB C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)c1 108894275 ZFKSPIRJMFXDBK-DLBZAZTESA-N 386.517 3.741 0 40 GHAB C[C@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 195528891 MHJOGDJMUSFXMV-SCYMPEOESA-N 381.419 3.774 0 40 GHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 223238270 WJDUDOYUFFZWNR-KRWDZBQOSA-N 386.467 3.538 0 40 GHAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC)c(Cl)c1 223252699 GEUZFMUIXJUGAR-UHFFFAOYSA-N 383.853 3.716 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 223773145 LNXGXXWSXZAWEQ-MRXNPFEDSA-N 388.508 3.861 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 224812544 NQEGGWGLLBIELX-HNNXBMFYSA-N 390.886 3.965 0 40 GHAB CC(=O)N1CCC(c2n[nH]cc2-c2ccnc(NCc3cccc(C)n3)c2)CC1 257201001 AFSRULGNXFKPHH-UHFFFAOYSA-N 390.491 3.513 0 40 GHAB O=C(c1ccc(O)nc1)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257267227 MGLPCDXPZPOXPE-MRXNPFEDSA-N 381.407 3.525 0 40 GHAB COc1ccc(CCC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1 257316778 VGYUHDNCHVUIEE-YDHSSHFGSA-N 381.520 3.645 0 40 GHAB CCN1CCN(C(=O)C2CCCC2)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 257342166 ZNJYZKULWDJTLW-QFIPXVFZSA-N 391.515 3.541 0 40 GHAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 260842850 XYRZQTRYZQZELE-APWZRJJASA-N 398.478 3.686 0 40 GHAB Cc1cccc(C(=O)N2Cc3cn(-c4ccccc4)nc3-c3ccn(C)c3C2)n1 306132204 LBPFESKPCIBHRI-UHFFFAOYSA-N 383.455 3.737 0 40 GHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 408703825 YQUBNCKCMFLDJB-UHFFFAOYSA-N 386.395 3.744 0 40 GHAB Cc1ccc(OCc2nn(CC(=O)N[C@H](C)c3ccccc3)c(=S)o2)cc1 409168631 NICRXWISRAPRDL-OAHLLOKOSA-N 383.473 3.970 0 40 GHAB COc1ccc([C@@H]2CCCN2C(=O)COc2c[nH]c(C)cc2=O)c2ccccc12 524735641 PCSJYWHBGWOULB-IBGZPJMESA-N 392.455 3.588 0 40 GHAB CO[C@H](CS(=O)(=O)Nc1nc(C)c(Cl)cc1Cl)c1ccc(F)cc1 530155179 ZNBXQUVJHYATEO-CQSZACIVSA-N 393.267 3.965 0 40 GHAB COc1ccc(CCNC(=O)NCCn2nc(C)c(-c3ccsc3)c2C)cc1 575614661 AELKTPBLAUOVAO-UHFFFAOYSA-N 398.532 3.779 0 40 GHAB CC(C)COc1ccc(C(=O)NCc2nc(C3CCC(F)(F)CC3)no2)cn1 575615300 CWRHQVSSJYPWHT-UHFFFAOYSA-N 394.422 3.722 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1nccnc1-c1cccs1 575619918 HSMVVMMJVBFJIJ-UHFFFAOYSA-N 393.447 3.675 0 40 GHAB C[C@@H]1CN(Cc2csc(COc3ccccc3)n2)c2ccccc2C(=O)N1 585084974 BBCIFXHMTRMTCT-OAHLLOKOSA-N 379.485 3.861 0 40 GHAB Cn1cc([C@H]2CN(C(=O)c3ccc(-n4cccc4)cc3)Cc3ccccc32)cn1 585408197 HUKZZROXIHHROZ-HSZRJFAPSA-N 382.467 3.999 0 40 GHAB O=C(NCc1ncnn1-c1ccccc1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 623952999 LGHMFDWVBCOURJ-INIZCTEOSA-N 397.429 3.635 0 40 GHAB COc1cc(C)c(NC(=O)N(C)[C@H]2CCC[C@H]2N2CC[C@@H](OC)C2)c(C)c1C 626564610 SZDCEJVVAQNXGQ-CEXWTWQISA-N 389.540 3.726 0 40 GHAB CCc1nnc(-c2cccc(NC(=O)C[C@H]3CC(=O)Nc4ccccc43)c2)o1 1531042477 UWCXERPSIOJSSI-AWEZNQCLSA-N 376.416 3.754 0 40 GHAB CC1(C)C[C@@]2(CCCN2C(=O)Cn2cc(Cl)cn2)CN1c1cccc(F)c1 1615126939 PAEOMXDEAVVVRH-FQEVSTJZSA-N 390.890 3.726 0 40 GHAB COc1cccc([C@@H]2C[C@@H](C)CN2S(=O)(=O)c2c(F)cc(F)cc2F)c1 1663033724 KFPQMOONBMBLJK-DIFFPNOSSA-N 385.407 3.884 0 40 GHAB CCn1ccc2cc(C[C@H]3CCCN(C(=O)C4CCN(C)CC4)CC3)cnc21 2037838604 QNYLCXIZJKTEOC-SFHVURJKSA-N 382.552 3.569 0 40 GHAB O=C(N[C@@H]1CCc2ccccc21)c1nnn(-c2ccccc2F)c1-c1ccccn1 77199887 PNYZSZHMUPFVEP-GOSISDBHSA-N 399.429 3.886 0 40 GHAB CC(C)n1cnnc1SCC(=O)Nc1ccc2sc(C(=O)O)cc2c1 95349925 YCBBWAPVXOVUPZ-UHFFFAOYSA-N 376.463 3.503 0 40 GHAB CNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 884264 FCFZOPCBAUBLDA-UHFFFAOYSA-N 395.528 3.660 0 40 GHAB Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCCC3)c(=O)[nH]c2c1 908884 CZNSOOYSRXAYMH-HXUWFJFHSA-N 392.507 3.513 0 40 GHAB Cc1cc2ccccc2n2c(SCC(=O)N3CCc4ccccc4C3)nnc12 1223190 HPSQJMJRJOAOJA-UHFFFAOYSA-N 388.496 3.868 0 40 GHAB CC[C@@H](Cc1ccc(C)cc1)N(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 78903510 GVWREYWUZRHIRV-SFHVURJKSA-N 387.487 3.875 0 40 GHAB CCO[C@@H]1C[C@@H](NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)C12CCCC2 78935346 PSVPGVKTZKPAJD-QZTJIDSGSA-N 391.943 3.805 0 40 GHAB Cc1cc(=O)c(C(=O)N(C)[C@H]2CCc3ccccc32)nn1-c1ccc(Cl)cc1 24830732 AYBUOHMDNPNPFL-IBGZPJMESA-N 393.874 3.954 0 40 GHAB COc1ccc(-c2noc(CNC(=O)CCSCc3ccccc3)n2)cc1 7686069 NJWXBYNPLZWTEM-UHFFFAOYSA-N 383.473 3.685 0 40 GHAB COc1cccc(C(=O)NC(=S)Nc2c(Cl)cc(C(=O)O)cc2Cl)c1 59843163 OFYPFCDZRYOSKJ-UHFFFAOYSA-N 399.255 3.827 0 40 GHAB COc1ccc(-c2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cs2)cc1 12563392 XIDNBWNZLZGIIO-UHFFFAOYSA-N 397.475 3.920 0 40 GHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2)c(C)c1 8414458 CVTQXNCGIZVHBJ-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB COc1ccc(-c2nnc(SCCCOc3cccc(C(=O)O)c3)n2C)cc1 8731735 DRLIVGAMUSGRPK-UHFFFAOYSA-N 399.472 3.750 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(Br)cc1 12522658 RBUOMOFLZOZJCO-UHFFFAOYSA-N 389.293 3.558 0 40 GHAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)N1CCN(c2ccccc2)CC1 12506481 HCTNOHYURNFDCM-HXUWFJFHSA-N 392.547 3.826 0 40 GHAB COc1ccc(OCCCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 24390023 FDGYIJCNTAUZNX-UHFFFAOYSA-N 382.504 3.766 0 40 GHAB COc1ccc(N(C)C(=O)c2[nH]nc(-c3ccccc3)c2Br)cn1 58269425 XOUQNCIPGHHTFJ-UHFFFAOYSA-N 387.237 3.519 0 40 GHAB CCOc1cc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)ccc1O 9189816 QPZJJWRVKRWPCC-UHFFFAOYSA-N 376.909 3.942 0 40 GHAB CCN1CCN(c2ccc(NC(=O)CN(C)[C@@H](C)c3cccs3)cc2)CC1 12558403 IGBWIRQBRIUKLD-KRWDZBQOSA-N 386.565 3.522 0 40 GHAB COc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 58449978 AFDFZBGHNRAZRK-SFHVURJKSA-N 389.499 3.998 0 40 GHAB C[C@@H](Sc1nnc(COc2ccc(F)cc2)o1)c1nc2ccccc2c(=O)[nH]1 11195723 FFBPIZVOXUDTBC-LLVKDONJSA-N 398.419 3.878 0 40 GHAB CCN(Cc1ccc(OC)c(OC)c1)Cc1cc(=O)oc2c(C)c(O)ccc12 11366239 XXENCWHFRJDFCF-UHFFFAOYSA-N 383.444 3.846 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1NC(=O)c1ccco1 29017842 DYRMKTLHLHEWFE-UHFFFAOYSA-N 397.818 3.845 0 40 GHAB C[C@H](NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1)[C@@H]1C[C@H]2CC[C@H]1C2 108833671 CQXMBIFZBHZLIH-XUXIUFHCSA-N 397.924 3.849 0 40 GHAB C[C@H]1c2ccsc2CCN1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 46901306 AUKIXBGELBYMQS-ZDUSSCGKSA-N 379.526 3.776 0 40 GHAB C[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccc(F)cc1 12768901 QIPKCIASUOLEJH-ZDUSSCGKSA-N 399.491 3.743 0 40 GHAB Cc1cnc(C(=O)Nc2nc(-c3cc(C)n(C[C@H]4CCCO4)c3C)cs2)cn1 12755935 DIOMAZFHRKYIPU-OAHLLOKOSA-N 397.504 3.758 0 40 GHAB COC(=O)C[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccccc1 12789699 QWYOLEIPEJHPGA-INIZCTEOSA-N 381.457 3.548 0 40 GHAB O=C1CN(C(=O)CSc2nc(-c3ccccc3)cs2)c2ccccc2N1 3332733 WHIZKCZJXOMSMC-UHFFFAOYSA-N 381.482 3.888 0 40 GHAB aggregator Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)cc1C 9237901 GVDNXBGSOJQSSI-ZWKOTPCHSA-N 379.489 3.601 0 40 GHAB O=C(NC1CC1)c1cccc(NC(=O)c2cc(F)ccc2Br)c1 12878458 FLURHOZBINXDQU-UHFFFAOYSA-N 377.213 3.733 0 40 GHAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(Br)c(C)c2)Oc2ccccc21 12987102 QUIHNCGLHFGEDD-KRWDZBQOSA-N 389.249 3.510 0 40 GHAB CC(C)(CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)c1cccc(F)c1 89761725 MTCQSVHIUIDKFH-LLVKDONJSA-N 383.389 3.767 0 40 GHAB CN(C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)C1CCCCC1 22530174 DBYNGJQALWKGRO-UHFFFAOYSA-N 393.336 3.551 0 40 GHAB O=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)C1CCCC1 4276451 GQECADBZRCAIHP-UHFFFAOYSA-N 393.534 3.600 0 40 GHAB COc1ccc2c(ccn2CCC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 13721974 CIFRVLOIBQEWRG-UHFFFAOYSA-N 394.471 3.642 0 40 GHAB biogenic CC(C)n1cnc([C@@H]2CN(Cc3cccs3)C[C@@]23CCN(CC2CC2)C3=O)c1 306124228 BJVXEPXYYFNYCE-UGKGYDQZSA-N 398.576 3.754 0 40 GHAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccccc2Br)C1=O 5218893 CZHYYDJSRNQJBS-QGZVFWFLSA-N 395.203 3.695 0 40 GHAB O=C(NCC[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1Cc2ccccc2S1 95408293 XVMHEUFUKQUOGR-SJLPKXTDSA-N 381.419 3.660 0 40 GHAB O=C(O)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 4863196 BKYZHVABKWQOFK-AWEZNQCLSA-N 391.221 3.585 0 40 GHAB Cc1cccc(-c2nc(CC(=O)Nc3cnn(-c4ccccc4)n3)cs2)c1 95457283 CQPGCOFCBMGQTF-UHFFFAOYSA-N 375.457 3.880 0 40 GHAB CCOc1ccc(C(=O)NCC(=O)Nc2nc(-c3cccs3)cs2)cc1 6968489 APUUVNOLMXZTRN-UHFFFAOYSA-N 387.486 3.639 0 40 GHAB COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1OC 7759932 SPCORYKPYSZMTJ-PKNBQFBNSA-N 393.443 3.734 0 40 GHAB O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccc2[nH]c(=O)[nH]c2c1 7985373 TVPXASPOISNOIE-UHFFFAOYSA-N 382.470 3.711 0 40 GHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCC[C@@H]1c1cccs1 8040184 HQDMFONBAZGCLP-GFCCVEGCSA-N 390.814 3.946 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 8135831 GWSLRHSLNNJION-UHFFFAOYSA-N 396.878 3.555 0 40 GHAB O=C(Nc1ccccc1F)c1cccc(S(=O)(=O)NCc2cccs2)c1 8276265 LFLFYZNEOKMRPA-UHFFFAOYSA-N 390.461 3.618 0 40 GHAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)N([C@H](C)c2ccccc2)C(=O)N=C1O 17209181 XDGXVRUBBCIVRT-IVZQSRNASA-N 377.444 3.654 0 40 GHAB biogenic O=C1[C@H]2CCCC[C@H]2C(=O)N1CN1CCc2sccc2[C@@H]1c1cccs1 18129583 DGRKTMXSUDOWDZ-QWQRMKEZSA-N 386.542 3.890 0 40 GHAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc3sc(N(C)C)nc3s2)[C@@H]1C 69951452 BGAATJCVERMHRA-UTUOFQBUSA-N 395.550 3.522 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc2ncccc12 8708267 UBLSUPNJMFEXHN-UHFFFAOYSA-N 395.484 3.662 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)N3CCOCC3)c3ccccc23)cc1 8867323 WUUDNTPWICOPGC-UHFFFAOYSA-N 379.485 3.556 0 40 GHAB COc1ccc(OC)c(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)c1 408628320 WTHWGBHRRVZPJM-UHFFFAOYSA-N 390.288 3.977 0 40 GHAB CCN(C(=O)c1ccccc1)S(=O)(=O)c1ccc(Br)c(C)c1 72235875 MFJKMSRVYZWOPM-UHFFFAOYSA-N 382.279 3.609 0 40 GHAB Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)N(C)C(C)C)c3)n2)c(F)c1 95942970 KXPREBWYFYDOSO-UHFFFAOYSA-N 389.452 3.880 0 40 GHAB COc1ccc(C(=O)COC(=O)c2ccc(-c3nc(C)no3)cc2)cc1Cl 22977867 FUFAKKCMRSNFJB-UHFFFAOYSA-N 386.791 3.747 0 40 GHAB O=C(NCc1ccccc1CN1CCOCC1)c1cc2c(s1)CCCCC2 23804891 PAHHTXGUPGJHRO-UHFFFAOYSA-N 384.545 3.779 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2ccccc2OC)CC1 20460081 VROBZJFGSVIUBO-FQEVSTJZSA-N 382.504 3.818 0 40 GHAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2Oc1cccc2cccnc12 35682673 NBBOCUXLQFUQEH-SFHVURJKSA-N 377.444 3.656 0 40 GHAB COc1cc(CNc2ccc(Br)c(Cl)c2)ccc1OCC(N)=O 408554412 CQHGLJJURVIPSM-UHFFFAOYSA-N 399.672 3.587 0 40 GHAB NC(=O)c1cccc(COc2ccc(Br)cc2Br)c1 32827015 XMEAUNJMDMVZQO-UHFFFAOYSA-N 385.055 3.890 0 40 GHAB C[C@H]1[C@@H](c2ccc(Cl)cc2)c2cc3c(cc2O[C@@H]1N1CCOCC1)OCO3 31860866 MTZMFRTXAVZTJP-ZEWGMFERSA-N 387.863 3.887 0 40 GHAB COc1c2c(cc3c1[C@@H](Cc1ccc(NC(=O)C(C)C)cc1)N(C)CC3)OCO2 524729748 HZHSQKNPEMCXOI-GOSISDBHSA-N 396.487 3.790 0 40 GHAB biogenic O=C(c1cccnc1)N1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 72362078 FSNFNEHXSBVVML-UHFFFAOYSA-N 378.407 3.823 0 40 GHAB COC(=O)c1ccc(NC(=O)N(CC2CC2)C[C@H]2CCCN3CCCC[C@H]23)cc1 1565520617 YNYAWUICZRYKOA-TZIWHRDSSA-N 399.535 3.982 0 40 GHAB biogenic Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)o1 72326505 FFZJWVNDKSSNQB-OZEDYNDGSA-N 393.487 3.582 0 40 GHAB O=C(COc1ccccc1Cl)NCCCNc1ccc(C(F)(F)F)cn1 32911949 XNGADQSNLUDOPB-UHFFFAOYSA-N 387.789 3.751 0 40 GHAB CN(C(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)C1CCCCC1 44900539 ZRHAYGJSPDOBEP-UHFFFAOYSA-N 386.517 3.916 0 40 GHAB CC(C)Oc1cccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 222554667 QCGOECJQBWOKQA-UHFFFAOYSA-N 388.489 3.656 0 40 GHAB C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1 223097507 ZELJPWNOCZCIPE-IBGZPJMESA-N 380.532 3.994 0 40 GHAB Cc1nn(C)c2ncc(C(=O)N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)cc12 569422394 KPIXBDHWTUIGQA-SAZUREKKSA-N 388.393 3.972 0 40 GHAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225611692 DCJDMHIXNFYPER-UHFFFAOYSA-N 396.538 3.755 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1C 225062395 BTSRTIHLGYDINP-UHFFFAOYSA-N 390.505 3.677 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 224775236 SRLGADTXVOWAOQ-HXUWFJFHSA-N 396.531 3.934 0 40 GHAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 223960388 HFJFZYPHBZMHSQ-PJIJBLCYSA-N 388.464 3.545 0 40 GHAB CC(C)[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 225215650 PUQJTCNRBWBCHF-ZDUSSCGKSA-N 380.897 3.915 0 40 GHAB CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 225529919 CAAPLRJGSFPABY-LJQANCHMSA-N 396.531 3.878 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 222586310 FOYJLJDKOCBPOP-CYBMUJFWSA-N 394.899 3.735 0 40 GHAB CCOCCCNC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225340176 BEYCPZRQRNCHOH-UHFFFAOYSA-N 381.501 3.957 0 40 GHAB Cc1cc(-c2c(C)noc2C)nc([C@H]2CCCCN2Cc2ccnc(C)n2)n1 257321711 WCVVBNFUTWACCA-LJQANCHMSA-N 378.480 3.882 0 40 GHAB CC(C)Cn1ncc(NC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)c1C(F)F 663181207 NRZHNBMFMCQBQQ-UHFFFAOYSA-N 394.470 3.827 0 40 GHAB Cc1cc([C@@H](C)NC(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)c(C)s1 663642983 ZBKYRXUJJOUGDG-OMWUSAIZSA-N 388.537 3.862 0 40 GHAB CO[C@@H]1CCC[C@@H](CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(Cl)cc3)C2)C1 668286064 YVDGUUTZECRCJY-NKGKWGDASA-N 379.884 3.562 0 40 GHAB Cc1noc(C)c1CC(=O)Nc1ccccc1Cc1nc(-c2ccncc2)no1 96119647 WTSZJTASXPYYTH-UHFFFAOYSA-N 389.415 3.508 0 40 GHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)[C@H]1CCCC[C@@H]1C(F)(F)F 84374386 AWPYTXUNNWUERP-HOTGVXAUSA-N 379.382 3.599 0 40 GHAB CC(C)(C)OC(=O)N1CCCN1C(=O)CCCc1nc(-c2cccs2)no1 89662251 OZTIRMKGLWOHIZ-UHFFFAOYSA-N 392.481 3.505 0 40 GHAB O=C(O)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1 98210731 VHYDUBKCYZPDSV-QMMMGPOBSA-N 383.038 3.951 0 40 GHAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)o1)c1ccc(Cl)s1 1775966864 IRCSRMVKJDBRQO-VIFPVBQESA-N 389.907 3.735 0 40 GHAB COc1ccccc1C1(O)CCN(Cc2ccc(-n3ccnc3C)cc2)CC1 12116990 BHYQBIJHPKTEHU-UHFFFAOYSA-N 377.488 3.673 0 40 GHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)cc2n1 12220386 FSOVFEXBQMKOQB-GJZGRUSLSA-N 396.413 3.714 0 40 GHAB CC[C@H](CN1CCCCC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 12239800 KNVUQMXWGKWSAJ-QGZVFWFLSA-N 375.513 3.872 0 40 GHAB Cc1ccc(NC(=S)NC(=O)COc2ccc(Br)cc2)cc1 12498730 NLICVYISKDCSQK-UHFFFAOYSA-N 379.279 3.650 0 40 GHAB Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2cccc3ccccc23)cc1 13004968 OWISSQUSSLZZPU-QGZVFWFLSA-N 396.512 3.694 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1cccc(OC)c1 13568939 CQVRHGBEIIIAMU-LLVKDONJSA-N 389.506 3.549 0 40 GHAB Cc1nc(NC(=O)CSc2nc3ccccc3s2)nc2c1C(=O)C[C@H](C)C2 13636230 IHKRELSOIYYLBM-SNVBAGLBSA-N 398.513 3.891 0 40 GHAB O=c1cc(-c2ccc3ccccc3c2)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 13639809 VGAYDHHHEOUTAB-UHFFFAOYSA-N 396.494 3.912 0 40 GHAB CCOc1ccccc1NC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13713113 HUZPODZQINVZLL-GOSISDBHSA-N 390.505 3.577 0 40 GHAB CSc1cccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)c1 14180146 ZJGJNFPINCPKNJ-GOSISDBHSA-N 392.546 3.659 0 40 GHAB COc1ccccc1CN(Cc1cccnc1)C(=O)c1cn2ccc(C)cc2n1 19238162 PCEQYWGRTODTJK-UHFFFAOYSA-N 386.455 3.889 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1cnc(C)nc1)CC2 19287253 VYJVALJMKASHII-HSZRJFAPSA-N 375.472 3.950 0 40 GHAB Cc1ccc(-c2ccccc2CC2(C(=O)NC[C@H](C)O)CCOCC2)c(C)c1 12231600 KJOZIMAECPUYOQ-IBGZPJMESA-N 381.516 3.807 0 40 GHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)c3ccccc3F)C1)N2 19128239 ZFOMFSDUAKDWAS-XOKHGSTOSA-N 392.425 3.873 0 40 GHAB Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)n2)c1 6083307 SVRCLGNXRDQURX-BEFAXECRSA-N 387.530 3.819 0 40 GHAB Cc1nn(C)c(C)c1[C@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 7885085 DGMONOZZHYHARW-FQEVSTJZSA-N 376.416 3.537 0 40 GHAB COc1ccc(CN(CCS(=O)(=O)c2ccc(Cl)cc2)C2CC2)cc1 21582881 ZHGHXUHLYMMFRX-UHFFFAOYSA-N 379.909 3.787 0 40 GHAB CC(C)c1nccc(N2CC[C@H](COc3ccc4nc(C(C)(C)C)cn4n3)C2)n1 2087045375 ZWPLNWBDKDTNFT-INIZCTEOSA-N 394.523 3.846 0 40 GHAB COc1cccc(-c2ccc(SCC(=O)NCCc3ccccc3)nn2)c1 5108067 HWCPEGLLMUCYPW-UHFFFAOYSA-N 379.485 3.603 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C(C)C)CC3)c(C)c1 8977080 FEAMKXHBQFRMIK-UHFFFAOYSA-N 386.517 3.645 0 40 GHAB NC(=O)c1ccccc1NC(=O)Cc1cn(Cc2ccccc2)c2ccccc12 9523565 WQUOIQSIMHJYND-UHFFFAOYSA-N 383.451 3.970 0 40 GHAB CCCOc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc(C)n1 12224090 BEJGWXKNGFJIGR-UHFFFAOYSA-N 389.887 3.581 0 40 GHAB Cc1ccc(-n2nc(C(=O)NCCCOC(C)C)nc2-c2ccccc2)cc1 13568881 SZILCZSEDVPUIG-UHFFFAOYSA-N 378.476 3.788 0 40 GHAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1ccc(Cl)cc1Cl 40096592 RHQDYCGNIOMXAZ-UHFFFAOYSA-N 381.263 3.547 0 40 GHAB CC(C)c1noc2ncc(C(=O)N[C@H]3CCC[C@@H](OCC(F)(F)F)C3)cc12 40081021 UCBGEBRLOVVLGI-QWHCGFSZSA-N 385.386 3.966 0 40 GHAB O=C(O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)cc1 40286888 NLPYDLSOCFAAEJ-SFHVURJKSA-N 396.834 3.941 0 40 GHAB Cc1cc(C)cc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccc(F)cc32)c1 32073909 HCDMTWQDMYKGFL-NRFANRHFSA-N 376.391 3.858 0 40 GHAB COc1cc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ncccn2)ccc1OC(C)C 20731350 JXVGYCOCUGOVHS-OAHLLOKOSA-N 393.447 3.890 0 40 GHAB O=C1[C@H]2[C@@H](c3cccs3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1 101996590 CTKZRGNTAQNXDM-IPMKNSEASA-N 376.437 3.799 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1C 32771262 IQLKSZKKSLPIFZ-IBGZPJMESA-N 377.481 3.822 0 40 GHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 32857706 GLNNUPZKYYHRHJ-YJYMSZOUSA-N 383.835 3.752 0 40 GHAB O=C(CCSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCc2ccccc21 32871013 HKIGVKAEKGUNNN-UHFFFAOYSA-N 395.440 3.537 0 40 GHAB CCCCCn1nc(C(=O)OCCOc2ccccc2F)c2ccccc2c1=O 32957299 ADKGXHWFGIHPCY-UHFFFAOYSA-N 398.434 3.962 0 40 GHAB O=c1c2oc3ccccc3c2ncn1C[C@H](O)COc1cccc2ccccc12 23401156 GDEMYGLLUWXSOY-INIZCTEOSA-N 386.407 3.736 0 40 GHAB Cc1noc(C)c1COc1ccc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1 42886017 AKQQZBWDFBPUQF-UHFFFAOYSA-N 392.411 3.974 0 40 GHAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(C(F)(F)F)cc2)cc1 24208148 YOFSICWRWXLXTL-LJQANCHMSA-N 392.421 3.817 0 40 GHAB O=C(COc1ccccc1Cl)NC(=O)Nc1ccc(Br)cc1 3151835 FADSLOJCLRNBLA-UHFFFAOYSA-N 383.629 3.830 0 40 GHAB O=C(OC1CCC1)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 78989170 VKIGKMAFXCIDPP-LBPRGKRZSA-N 384.245 3.536 0 40 GHAB Cc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)c1 4965071 ALRSFVJXSPKAEP-LJQANCHMSA-N 398.532 3.641 0 40 GHAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)[C@H](C)C[S@](C)=O)cc3)o2)c1 96012197 JXKXYTPBDIQPJO-WQIZZMQYSA-N 397.500 3.551 0 40 GHAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccnc1Cl 6885828 FLINNZPWALCRSJ-UHFFFAOYSA-N 377.787 3.788 0 40 GHAB O=C(NC1CCCCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683666 XNUUEWRSOVNEEU-SFHVURJKSA-N 398.956 3.722 0 40 GHAB Cc1cc(C)c2cc(C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)[nH]c2c1C 12552400 IXSLLVCXIRSYSM-UHFFFAOYSA-N 397.500 3.786 0 40 GHAB CC(C)Cn1c(SCC(=O)N2CCCC[C@H]2C)nc2ccsc2c1=O 57426226 NMRSBUHZUOCMMV-CYBMUJFWSA-N 379.551 3.607 0 40 GHAB O=C([C@H]1CC=CCC1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 24920842 BREXLJCFQSOGFI-KRWDZBQOSA-N 385.508 3.950 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1c(C)nsc1NC)c1ccccc1Cl 27580177 FEZUIOLSYMKBAQ-OAHLLOKOSA-N 380.945 3.960 0 40 GHAB COc1ccc(CCNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1OC 27580193 XMIKKIBMUWIWOS-UHFFFAOYSA-N 380.444 3.948 0 40 GHAB biogenic CCOc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)n[nH]3)CC2)cc1 98212830 HPTLMHIFEJIHSO-UHFFFAOYSA-N 396.516 3.936 0 40 GHAB CCOc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1OC 28320695 BCSHBWIRHYFYNY-QGZVFWFLSA-N 383.444 3.842 0 40 GHAB Cc1cc(C)cc(OCCNC(=O)c2ccccc2I)c1 22480118 ARLCFUXTYCQDTQ-UHFFFAOYSA-N 395.240 3.717 0 40 GHAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc([S@](C)=O)c(F)c1 89518908 YRNGCHOFIOKSSY-AFNXNYLOSA-N 389.370 3.988 0 40 GHAB Cc1cc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c(C)n1Cc1ccco1 89577965 SGCOCZBHGSFSNZ-UHFFFAOYSA-N 395.850 3.936 0 40 GHAB O=C(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)C(=O)c1ccccc1-2 11646947 PMZHIHSBMUDXHX-UHFFFAOYSA-N 384.435 3.987 0 40 GHAB O=C(NCc1ccc(F)cc1)c1ccc(Cn2cc(Br)cn2)cc1 27970035 ADUYGXQWPUFKDW-UHFFFAOYSA-N 388.240 3.763 0 40 GHAB Cc1cccc(C)c1OCCC(=O)N(C)Cc1cnn(Cc2ccccc2)c1 46321469 CQYZPLWXBNANBS-UHFFFAOYSA-N 377.488 3.976 0 40 GHAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 60350811 HZRLWXZTUXRVKB-SWLSCSKDSA-N 377.366 3.885 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](c1ccccc1)c1nccn1C 29987005 ZJEKPRWSZLUBIP-HSZRJFAPSA-N 399.498 3.671 0 40 GHAB C[C@@H]1c2ccsc2CCN1C(=O)NCCC(=O)N1CCCc2ccccc21 47153621 MAEURIXHFOCXTE-OAHLLOKOSA-N 383.517 3.746 0 40 GHAB Cc1cccc(C(=O)NCCC(=O)Nc2cc(F)ccc2OCC(F)(F)F)c1 12771348 COLUKCXDSGSNON-UHFFFAOYSA-N 398.356 3.834 0 40 GHAB COc1cccc2c(C)c(C(=O)N3[C@H]4CC[C@H]3CC(O)(c3ccncc3)C4)[nH]c12 100722934 RUWBGYUTRLRGFG-IRXDYDNUSA-N 391.471 3.535 0 40 GHAB COc1cccc([C@@H](CNC(=O)N[C@H](C2CCCC2)C(F)(F)F)N(C)C)c1 95942325 PTZHQACVTIICRH-IAGOWNOFSA-N 387.446 3.718 0 40 GHAB CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 10475894 NNZYUSRPKDCWPJ-OEAKJJBVSA-N 392.411 3.736 0 40 GHAB COCCn1c(S[C@@H]2CCCCCC2=O)nc2sc3c(c2c1=O)CCC3 12897048 VSKMWCJSKYPXHQ-OAHLLOKOSA-N 392.546 3.587 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1)N(C)CCOc1ccc(Br)cc1 3426516 BAFGJGITHRQTCJ-AWEZNQCLSA-N 377.282 3.787 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 28732265 KKLAAVIJYLZOIQ-RORWEDLISA-N 392.455 3.563 0 40 GHAB Cc1csc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n1 3562080 VWKRATOETJIIRB-UHFFFAOYSA-N 387.486 3.529 0 40 GHAB aggregator CCOc1ccccc1OCCCC(=O)N(C)CC(=O)Nc1ccc(C)cc1 3555467 CZJLZKZKKNAIDK-UHFFFAOYSA-N 384.476 3.650 0 40 GHAB CNC(=O)NC(=O)[C@H](Sc1ncnc2sc(C)c(C)c12)c1ccccc1 3558046 RPPGGRRUYMCYAL-CQSZACIVSA-N 386.502 3.597 0 40 GHAB COc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1OC 3542657 VOWHSFHVTGAJHZ-UHFFFAOYSA-N 397.427 3.803 0 40 GHAB O=C(c1ccccc1OCc1ccccc1Br)N1CCOCC1 12946776 NXAKHBXJSHXMBG-UHFFFAOYSA-N 376.250 3.501 0 40 GHAB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2cc3ccccc3o2)C[C@@H](C)O1 13011800 NGTFGTCVSNBNCT-HUUCEWRRSA-N 378.428 3.935 0 40 GHAB C[C@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(F)cc1 20043946 BWTOFCDVDWAYAJ-QWHCGFSZSA-N 398.887 3.511 0 40 GHAB O=C(CSc1nnc(CN2CCCCC2)n1-c1ccccc1)c1ccc[nH]1 9377083 QJJWJNLKTQFUHO-UHFFFAOYSA-N 381.505 3.556 0 40 GHAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1nc2ccccc2[nH]1 4113200 OCJMDWWQTSPTQC-DEOSSOPVSA-N 397.434 3.570 0 40 GHAB COc1cccc(N2CCN(Cc3ccc(OC(F)F)c(OC)c3)CC2)c1 39978285 XYUFYDDMVLNXGK-UHFFFAOYSA-N 378.419 3.627 0 40 GHAB Cc1cccc(NC(=O)Cn2c(Nc3cc(C)cc(C)c3)nc(C)cc2=O)c1 65311027 QKHDMOQLZMYFCG-UHFFFAOYSA-N 376.460 3.859 0 40 GHAB CC[C@@H](C(=O)Nc1ccccc1Br)n1cnc2ccccc2c1=O 5268155 WUZZRVUDRZRJEQ-INIZCTEOSA-N 386.249 3.749 0 40 GHAB Cc1sc2ncn(CC(=O)N3CC[C@@H](C)Sc4ccccc43)c(=O)c2c1C 5319501 HHZBCOVNLZDPTN-GFCCVEGCSA-N 399.541 3.992 0 40 GHAB Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccncc2)n1 5324091 NQDPITQHIJYUHY-LJQANCHMSA-N 387.370 3.780 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1cccc(C(F)(F)F)c1 14157969 AZSBQIQLGNDXSL-MDZDMXLPSA-N 387.361 3.614 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)COc2c(C)cc(C)cc2C)c1 6551278 RNNRGIYVXBHMDM-QGZVFWFLSA-N 383.444 3.764 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)ccc2OC)c1 5636055 FQLASSQCPYWLQD-UHFFFAOYSA-N 396.896 3.631 0 40 GHAB Cc1nn(CC(C)C)c2sc(C(=O)NCc3nc4ccccc4n3C)cc12 9550018 DHONTYCPGGRHSI-UHFFFAOYSA-N 381.505 3.879 0 40 GHAB O=c1c2cc(Cl)ccc2ncn1Cc1cc2c(cc1Br)OCO2 6851488 PPCOHTWPLCGEHT-UHFFFAOYSA-N 393.624 3.589 0 40 GHAB O=C(CCNc1ccc(C(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCO2 15081794 FSHXDLIDVLVVRN-UHFFFAOYSA-N 380.444 3.726 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CCNC(=O)Nc1ccccc1 5804090 RQJIJLINRVKCSL-HNNXBMFYSA-N 393.443 3.803 0 40 GHAB COc1cccc2cc(C(N)=O)/c(=N/c3ccc(OC(F)(F)F)cc3)oc12 67292685 BXZFPUXOXDJXOM-QJOMJCCJSA-N 378.306 3.671 0 40 GHAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 71886849 QRKHNLJMYPPFTP-YUELXQCFSA-N 377.362 3.765 0 40 GHAB O=C(CSc1nnc(C2CC2)o1)Nc1ccccc1C(=O)Nc1ccccc1 7289074 FFJUFRNACOTUDG-UHFFFAOYSA-N 394.456 3.930 0 40 GHAB CCc1ccc(OC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 15964351 KKTNBSQEQUMJHL-SFHVURJKSA-N 383.469 3.572 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1ccccc1F 8195598 UTBHXNZXCXHWHD-UHFFFAOYSA-N 392.437 3.727 0 40 GHAB O=C(C[C@@H]1SC(NNc2ccccc2)=NC1=O)Nc1cccc2ccccc12 8270531 XLUOPGVULLJVJQ-SFHVURJKSA-N 390.468 3.783 0 40 GHAB Cc1nc2cc(NC(=O)CSc3nnc(-c4ccccc4F)n3C)ccc2o1 8327520 UYTJQXXQVXGTDG-UHFFFAOYSA-N 397.435 3.802 0 40 GHAB COc1ccc(-c2cs/c(=N\c3ccc(C)cc3)n2N2CCOCC2)cc1 22761819 WWZDAVRUIVFOMM-DQRAZIAOSA-N 381.501 3.734 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2C)c1 9190279 ZBZBXRUTSJVYHR-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB CC(C)OC(=O)[C@@H](C)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C 72303041 MAMCYVPJNGMTTN-AWEZNQCLSA-N 391.899 3.967 0 40 GHAB CCCS(=O)(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 89960369 DECRXJKOGBUMIN-OAHLLOKOSA-N 397.294 3.933 0 40 GHAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)c(Cl)c2)cc1 33648024 KPXYIXUKVNGWBO-UHFFFAOYSA-N 380.897 3.518 0 40 GHAB Cc1ccc(NC(=O)C[C@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)c(F)c1 39964155 BDVNBHJIDXVTIL-SFHVURJKSA-N 378.407 3.563 0 40 GHAB CCn1ccc(C(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)n1 72362969 ZPNFTMPZMIBDIM-UHFFFAOYSA-N 377.448 3.505 0 40 GHAB CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C2CCCC2)C1 72395913 GIKDJHUXVJZXAY-HSZRJFAPSA-N 381.520 3.997 0 40 GHAB COc1ccc2[nH]c(C)c(-c3csc(NC(=O)c4cncc(O)c4)n3)c2c1 72390336 QXPBMKADJJCMTB-UHFFFAOYSA-N 380.429 3.961 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1C 36329911 WGWTWIHBJNVOIV-JCURWCKSSA-N 377.481 3.995 0 40 GHAB COc1ccccc1-c1nccnc1[C@H]1CCCN(C(=O)c2scnc2C)C1 72359033 OXDOVKITXDIUSO-HNNXBMFYSA-N 394.500 3.937 0 40 GHAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)c2c[nH]nc2C)n1 72358052 DGZQVYQBKHOXRF-HXUWFJFHSA-N 376.460 3.690 0 40 GHAB CC(C)C[C@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccccc1 30755029 KTEXEFKIVLQLTQ-XLIONFOSSA-N 388.533 3.745 0 40 GHAB C[C@@]1(c2ccccc2)CN(C(=O)NCc2c(F)cccc2OC(F)F)CCO1 527235383 ROTOMQXRUUYLRF-FQEVSTJZSA-N 394.393 3.884 0 40 GHAB C[C@@H]1CN(c2ccccc2NC(=O)c2c(Cl)nc3ccccn23)C[C@@H](C)O1 130188205 BEGMKCLVFWIIJI-ZIAGYGMSSA-N 384.867 3.854 0 40 GHAB O=C(c1cc(F)c(F)c(F)c1)c1ccccc1CN1CCC2(CC1)OCCO2 85651617 HBVPLENRDDROPV-UHFFFAOYSA-N 391.389 3.674 0 40 GHAB COc1cccc(C(=O)NC(=S)Nc2cc(C)c(O)c(Br)c2)c1 226243863 KCGPFKQLCRJDTR-UHFFFAOYSA-N 395.278 3.599 0 40 GHAB O=C(COc1cccc(Cl)c1)NCc1nc(-c2ccc(Cl)cc2)no1 222772511 XOIZLCVQYMLAAC-UHFFFAOYSA-N 378.215 3.739 0 40 GHAB CN(C)C(=O)C1(C2(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)CC1 225925440 ABJGRDDVZGLJEY-UHFFFAOYSA-N 378.472 3.853 0 40 GHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccncc2)c1C 222772714 NGUFMXLWVIBMSX-SFTDATJTSA-N 391.544 3.936 0 40 GHAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 222789609 DFTBNXGAGGXMQU-NRFANRHFSA-N 384.495 3.948 0 40 GHAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 223825074 IROXVBQORFFOME-PMACEKPBSA-N 378.501 3.996 0 40 GHAB C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N=c1cc(C2(C)CCCC2)o[nH]1 573351508 OHLQNRNOBALSSQ-CQSZACIVSA-N 398.511 3.786 0 40 GHAB O=C(NC[C@H]1Cn2c(-c3cccc(Cl)c3)cnc2CO1)Nc1ccccc1 96269360 ONFYLIWJVDUJJH-KRWDZBQOSA-N 382.851 3.924 0 40 GHAB biogenic,in-vitro C[C@@H](C(=O)NC1c2ccccc2-c2ccccc21)N1C(=O)c2ccccc2C1=O 96194485 GXBVMCLUXGBEHP-AWEZNQCLSA-N 382.419 3.557 0 40 GHAB Cc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3ccccn3)CC2)cc1 96263343 RVMYBXBPDRGLTP-UHFFFAOYSA-N 387.531 3.690 0 40 GHAB CC1(C)CN(C(=O)c2cn(C(C)(C)C)nn2)c2ccc(Br)cc2O1 622986804 KRWLVAQLLCDBOG-UHFFFAOYSA-N 393.285 3.613 0 40 GHAB O=C(O)c1cccnc1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 647454183 GKJRZBNYUFMDCL-UHFFFAOYSA-N 378.432 3.511 0 40 GHAB O=C(O)[C@H](c1cccc(Cl)c1Cl)N1C[C@@H](CO)[C@H](c2ccsc2)C1 659795795 AJOARXHPPDACFN-RBOXIYTFSA-N 386.300 3.889 0 40 GHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)c1 665827286 ZKRGABPRSSLVQW-YLJYHZDGSA-N 391.462 3.930 0 40 GHAB CC(C)c1ncc(S(=O)(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)[nH]1 673818834 PETNYDUKTSUOQS-LJQANCHMSA-N 381.501 3.870 0 40 GHAB O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)c1nc2ccccc2s1 96121655 FDJFJSZITJCLGK-UHFFFAOYSA-N 389.484 3.862 0 40 GHAB O=C(c1ccc(F)cc1Cl)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390831889 VSQCUSOAFPMVOR-QGZVFWFLSA-N 399.846 3.620 0 40 GHAB O=C(Nc1c(F)cccc1F)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390831710 UHUKPYXCLMLUKT-UHFFFAOYSA-N 394.443 3.576 0 40 GHAB COCCN1CC[C@@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 585102379 YQZMBEARIVVZER-HSZRJFAPSA-N 380.488 3.806 0 40 GHAB CC(C)Cn1ccnc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 51415412 HRQOPPFSGUAILS-UHFFFAOYSA-N 375.494 3.508 0 40 GHAB COc1ccc2[nH]cc(C3=CCN([C@H](C)C(=O)Nc4nccs4)CC3)c2c1 53073815 NAJXHTSPBFJKOX-CYBMUJFWSA-N 382.489 3.749 0 40 GHAB CC(=O)c1nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn2c1C 5537500 HCSNXICVOXLAJK-UHFFFAOYSA-N 380.411 3.913 0 40 GHAB O=C(NCCCc1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 13671193 TZUISYXXFBPCAQ-UHFFFAOYSA-N 394.496 3.850 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13715645 JZRSXKLHEQPSBI-GOSISDBHSA-N 392.496 3.880 0 40 GHAB Cc1cccc(C(=O)N[C@@H](N2C[C@@H](C)O[C@H](C)C2)C(Cl)(Cl)Cl)c1 19315689 MDEIAEITFZEIGS-JMSVASOKSA-N 379.715 3.530 0 40 GHAB Cc1nnsc1C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2Cc1ccccc1 19563607 IJKAFRINHNAXJU-MRXNPFEDSA-N 381.505 3.535 0 40 GHAB CO[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2C)C1 19657256 ZCSGCBUVRMKWFA-MSOLQXFVSA-N 393.491 3.860 0 40 GHAB CC(C)(C(=O)NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1 19718499 LGGOEVAGAXYJKK-UHFFFAOYSA-N 377.843 3.887 0 40 GHAB COc1ccccc1CN1CCC(c2nc(O)cc(-c3ccncc3)n2)CC1 12728350 CUBUFONDRMWTSD-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB C[C@@H](NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1nnnn1C1CC1 682886783 NXKOLJKNDOZOHF-GFCCVEGCSA-N 396.322 3.714 0 40 GHAB COc1cccc(NC(=O)[C@H](OC(=O)c2ccccc2O)c2ccccc2)c1 3512445 BRALAMDKXQQQNE-HXUWFJFHSA-N 377.396 3.938 0 40 GHAB CCN1CCc2c(cccc2NC(=O)c2ccc3nc(C(C)(C)C)cn3n2)C1 1888909639 SARGGQYPEIDNNI-UHFFFAOYSA-N 377.492 3.657 0 40 GHAB COC(=O)c1c(NC(=O)Cc2csc(-c3ccccn3)n2)sc(C)c1C 14634722 NCCLKXSAVVMYDJ-UHFFFAOYSA-N 387.486 3.851 0 40 GHAB C[C@H](NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 23039717 WFEWJRNFBOEZJE-ROUUACIJSA-N 379.504 3.603 0 40 GHAB O=C1CC2(CCN(C(=O)CSCc3ccccc3)CC2)Oc2ccccc21 4505611 ABLDQEBOXNKXHX-UHFFFAOYSA-N 381.497 3.946 0 40 GHAB Cc1cc2c(=O)n(C)c(SCC(=O)Nc3cccc(Cl)c3)nc2s1 5017057 JHPPLXKFQCCXRA-UHFFFAOYSA-N 379.894 3.688 0 40 GHAB Cc1ccc(Nc2nc(N3CCOCC3)nc(N(C)c3ccccc3)n2)cc1 12234979 DCLZCKPZCRHZJD-UHFFFAOYSA-N 376.464 3.528 0 40 GHAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2nnc(Cc3ccc(F)cc3)o2)C1 35596878 QLMMGCDWSVFQLM-INIZCTEOSA-N 383.398 3.958 0 40 GHAB CCOc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 1368239 GYHFPTXNUOCRSS-UHFFFAOYSA-N 389.502 3.731 0 40 GHAB C[C@H]1CN(Cc2ccc(CNc3nccc(C(F)(F)F)n3)cc2)C[C@@H](C)O1 30001574 DPWIXLPHMMVFKI-OKILXGFUSA-N 380.414 3.717 0 40 GHAB Cc1c([C@H](C)NC(=O)c2cc3ccccc3c(=O)[nH]2)cnn1-c1ccc(F)cc1 32370169 ATMABYMQZITHOM-ZDUSSCGKSA-N 390.418 3.652 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)n1 102184392 WXKJULQQUVKFGR-SKLAPFLYSA-N 382.913 3.765 0 40 GHAB CC(C)c1noc2ncc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)cc12 32871582 UBMZMPOSHFMSMH-UHFFFAOYSA-N 375.432 3.804 0 40 GHAB C[C@@H](c1ccccc1)N(C)C(=O)c1cn(-c2ccccc2Br)nn1 32816280 CHDWFTOFXKYYBK-ZDUSSCGKSA-N 385.265 3.863 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cccc(Cl)c3)n2)cc1 41254476 RRGVVUMXXNJFLV-UHFFFAOYSA-N 381.863 3.579 0 40 GHAB CC(=O)NCCn1c(-c2ccc3c(c2)COC3)cs/c1=N\c1ccccc1C 104137323 KTHQDTUZNTZOHC-GYHWCHFESA-N 393.512 3.924 0 40 GHAB O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@@H](c1cccs1)N1CCOCC1 23485539 ODEBXMQLHLFFRR-INIZCTEOSA-N 399.343 3.787 0 40 GHAB CCOC(=O)/C=C1/SCC(=O)N1Cc1csc(-c2ccc(Cl)cc2)n1 104897465 KBZUREGWCSQTLK-VIZOYTHASA-N 394.905 3.943 0 40 GHAB CCOc1ccc(-c2csc3ncn(CC(=O)O[C@H](C)CC)c(=O)c23)cc1 790722 IHTWRJUTCDYXLA-CYBMUJFWSA-N 386.473 3.865 0 40 GHAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)cc1 869039 PBEHLIKELKRZRR-UHFFFAOYSA-N 383.429 3.562 0 40 GHAB COc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccccc4)n3c2c1 928396 IGYOLOCERHJHOV-UHFFFAOYSA-N 378.457 3.930 0 40 GHAB CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)OCO2 1351250 CJJADADTEOYXQP-UHFFFAOYSA-N 375.446 3.716 0 40 GHAB CCCC(=O)Nc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)s1 1371468 KPGFIRDIQJJBBJ-UHFFFAOYSA-N 388.877 3.800 0 40 GHAB CCOc1ccc([C@H]2SC[C@H]3C(=O)N(c4ccc(F)cc4)C(=S)N32)cc1 1443753 XFJXRABDRDDRFV-FUHWJXTLSA-N 388.489 3.972 0 40 GHAB CCCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(CC)cc1 2644226 CTUFKUYCAXIWSZ-UHFFFAOYSA-N 395.528 3.957 0 40 GHAB COc1ccc(C)cc1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C 3497373 JGGUCZHUGHQYNN-UHFFFAOYSA-N 380.400 3.763 0 40 GHAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(Oc2ccccc2)cc1 3537721 QVMLIJKCYCJBBH-UHFFFAOYSA-N 378.409 3.905 0 40 GHAB Cc1csc2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(=O)n12 4121196 LVIAJNRZJQVOJX-UHFFFAOYSA-N 387.770 3.989 0 40 GHAB Cc1c(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 4313052 LHNCAHVVZOOTLC-CQSZACIVSA-N 389.498 3.632 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)N3CC[C@@H](C)Sc4ccccc43)nc2n1 4523467 LCXAHEMQYRMNNR-CQSZACIVSA-N 399.545 3.751 0 40 GHAB Cc1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)C(C)(C)C)cc3C2=O)c1C 4553894 CCQUOXSCRQISMU-UHFFFAOYSA-N 393.439 3.876 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)n2C)cc1 5022992 BLWAHQKOYZHUHU-UHFFFAOYSA-N 382.489 3.742 0 40 GHAB CC(C)Sc1nc2sc3c(c2c2nnc(SCCO)n12)CCCC3 5577120 VVWUJRYOFJDIDT-UHFFFAOYSA-N 380.564 3.803 0 40 GHAB CCOC(=O)c1sc(NC(=O)COc2cc(Cl)ccc2Cl)nc1C 5953104 MPSISOOEQPDCAV-UHFFFAOYSA-N 389.260 3.953 0 40 GHAB Cc1cccc(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c1C 6032672 OBLSBKFAZYBMIO-UHFFFAOYSA-N 383.444 3.578 0 40 GHAB CC[C@H](C)NC(=O)COc1cc2c(c3oc(=O)c(C)c(C)c13)CCC(C)(C)O2 6623900 FKFJDZLCTABVJC-LBPRGKRZSA-N 387.476 3.807 0 40 GHAB biogenic CCOc1cc(CNn2cnnc2)cc(Cl)c1OCc1ccc(F)cc1 7602490 WDLZEUYKKMEBNJ-UHFFFAOYSA-N 376.819 3.792 0 40 GHAB O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 7989084 MBCZRSSAMSDNGT-IBGZPJMESA-N 375.428 3.621 0 40 GHAB COc1ccc(-c2nc(C)c3c(N)c(C(=O)Nc4nccs4)sc3n2)cc1 9305166 HIWDJGODOHQJQZ-UHFFFAOYSA-N 397.485 3.966 0 40 GHAB Cc1ccc(N2C[C@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)cc1Cl 9318547 HOSPOKFWXMHWFZ-CYBMUJFWSA-N 397.818 3.948 0 40 GHAB CC(C)c1ccc(OCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 9710437 GDONZGRATXMHHQ-UHFFFAOYSA-N 377.448 3.816 0 40 GHAB Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)n2nnnc2N3)cc1 10336843 CFWKDMVWSQTVFT-YADHBBJMSA-N 394.438 3.936 0 40 GHAB O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1ccc2c(c1)OCO2)N1CCCC1 12197293 YZQZJMICQVCRBR-SFHVURJKSA-N 386.879 3.565 0 40 GHAB COc1ccc(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1 12328580 HZNCNMAFJWKHJG-UHFFFAOYSA-N 391.397 3.531 0 40 GHAB CC(C)(C)OC(=O)N1CCCN(c2nc(-c3ccccc3)ccc2C(=O)O)CC1 12357283 TYZQFKJJYZBBHH-UHFFFAOYSA-N 397.475 3.894 0 40 GHAB CCc1noc(CSc2nc3sc4c(c3c(=O)n2C(C)C)CCC4)n1 12769847 AXOOCKQCORWIFK-UHFFFAOYSA-N 376.507 3.765 0 40 GHAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 12785658 ULAFPLXOYBGJBJ-CQSZACIVSA-N 399.903 3.979 0 40 GHAB COC(=O)c1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c(C)c1 12928200 PXCCUHQJOFBUGL-HXUWFJFHSA-N 378.428 3.684 0 40 GHAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)/C=C/c1ccccc1 12928524 RWLIGWYUQMQLGO-FMIVXFBMSA-N 376.378 3.651 0 40 GHAB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)n1Cc1ccco1 13000428 AEWJVLTXZUBUOV-CQSZACIVSA-N 379.416 3.718 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCc1ccc2c(c1)OCO2 13009681 DZYCZJNGCJAOIU-UHFFFAOYSA-N 391.471 3.809 0 40 GHAB O=c1[nH]c(/C=C/c2ccccc2OC(F)F)nc2c1cnn2-c1ccccc1 13122847 WYQUENRSDJMEDQ-ZHACJKMWSA-N 380.354 3.881 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(O)c2)N1Cc1ccncc1 13206958 MSWPRHRDQYFRAD-FQEVSTJZSA-N 384.391 3.639 0 40 GHAB O=C(NC[C@@H](O)c1ccccc1)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 13655149 YDRLSBXXXJUBHK-HXUWFJFHSA-N 399.450 3.623 0 40 GHAB CC[C@H](C(=O)NC1CCCCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713882 NHRWDFSBQQNPKG-LJQANCHMSA-N 380.554 3.769 0 40 GHAB COC(=O)c1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2cc(C)ccc2C)cc1 14000913 HVMXKCASBLGQBC-KRWDZBQOSA-N 375.428 3.750 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)COc3ccccc3F)n2)cc1 14076325 PAIUREMYZMYXFN-UHFFFAOYSA-N 399.447 3.603 0 40 GHAB COc1cc(C)c(NC(=O)[C@@H](NC(=O)Nc2ccccc2)C(C)C)cc1OC 14094548 BLSJPMOBIMNNAE-IBGZPJMESA-N 385.464 3.797 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2Cn2nc3n(c2=S)CCCCC3)c1 14197106 LULCZWQTVCNMJH-QGZVFWFLSA-N 388.537 3.952 0 40 GHAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 14241504 ZMAXLMODTYSXHB-UHFFFAOYSA-N 382.441 3.940 0 40 GHAB COc1ccc([C@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)C(C)C)cc1 14253243 WYQDKFPKIVRQFB-JOCHJYFZSA-N 395.503 3.513 0 40 GHAB C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@@H]12 15159739 DPTZOOXIEWHODB-AKRZDELNSA-N 386.488 3.647 0 40 GHAB COc1ccccc1NC(=O)[C@@]1(c2ccco2)CC(=O)N1c1ccc(C)cc1 15412819 LRYJUZRZOWIMKH-QFIPXVFZSA-N 376.412 3.868 0 40 GHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 15609166 HJWWVTLKVPUQFQ-OAHLLOKOSA-N 379.460 3.594 0 40 GHAB C[C@@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cccc2ccccc12 15741516 PFXCDXUFSYTMEK-GFCCVEGCSA-N 388.876 3.632 0 40 GHAB CN1CCN(c2nc(-c3ccccc3Cl)c3c(n2)-c2ccccc2C3=O)CC1 17079819 RBVQTSBJSBLBKC-UHFFFAOYSA-N 390.874 3.760 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1 17128463 WQSOVQSNUWXTFA-UHFFFAOYSA-N 390.505 3.580 0 40 GHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)NC(C)C)cc1 17301581 VRDGKWQCVMNOKU-NRFANRHFSA-N 393.487 3.678 0 40 GHAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)C4CC4)C3)cc2N1 19083370 IPMOUZKEFHATNS-AEGPPILISA-N 384.446 3.943 0 40 GHAB O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc2nc(O)oc2c1 19936387 VVPMZEHFZIHDDG-UHFFFAOYSA-N 396.424 3.913 0 40 GHAB Cc1[nH]c(=S)n(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)c1CC(=O)O 20156391 NFJFEQQVFPAOJQ-UHFFFAOYSA-N 378.759 3.503 0 40 GHAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)oc2ccc(F)cc12 21651526 IISWYWFJFFNWJA-UHFFFAOYSA-N 390.436 3.819 0 40 GHAB CN(C)CCC[C@](O)(c1ccc(F)cc1)c1ccc(Br)cc1CO 21986079 FIXQPYBPVRAVND-IBGZPJMESA-N 396.300 3.658 0 40 GHAB CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Br)c1OC 22076078 NGBUTBOLXGEAGG-MRXNPFEDSA-N 380.282 3.680 0 40 GHAB O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc2ccccc2c1 25224514 CTHLRUQQXXRQMW-QFIPXVFZSA-N 383.451 3.785 0 40 GHAB CC1CCN(C(=O)c2ccn(COc3ccc(Br)cc3)n2)CC1 27973044 NJMXDJWDZVOBQB-UHFFFAOYSA-N 378.270 3.554 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(COc2ccc(F)cc2F)o1 27983772 VCDVVIPKIBJDBQ-UHFFFAOYSA-N 387.338 3.796 0 40 GHAB COc1cc2c(cc1OC)CN([C@H](C)C(=O)Nc1cccc3ncccc13)CC2 30674917 KHDXZWPXMTUKDO-OAHLLOKOSA-N 391.471 3.637 0 40 GHAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)[C@H]1CC=CC[C@H]1C(=O)O 32610046 PCMWJOVXTJAYOF-LSDHHAIUSA-N 394.258 3.844 0 40 GHAB O=C(NCCc1nnc2ccccn12)c1ccccc1Nc1ccc(F)cc1 32741361 SPLOAEMSLTUKHU-UHFFFAOYSA-N 375.407 3.585 0 40 GHAB O=C(NCc1ccccc1)C1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 32759772 WOXQSAODHJPBIU-QFIPXVFZSA-N 376.500 3.662 0 40 GHAB O=C(/C=C/c1cccc(F)c1)OCc1cc(=O)n2c(n1)sc1ccccc12 32859659 SWWHELXVKJNALL-CMDGGOBGSA-N 380.400 3.805 0 40 GHAB Cc1sc(-n2cccc2)c(C(=O)NC2CCN(C(=O)c3ccco3)CC2)c1C 32901511 MZICGYRUGYUVHQ-UHFFFAOYSA-N 397.500 3.783 0 40 GHAB CC(=O)c1cccc(NC(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)c1 35311813 DDTGFVZTKIKEEX-UHFFFAOYSA-N 379.460 3.624 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)N(C)[C@H](c2ccccc2)c2ccccn2)c1 40135510 DAWRGESBFKCUEW-OAQYLSRUSA-N 380.469 3.694 0 40 GHAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)COC2CCCC2)cc1 40141001 GSHBJYLPOOCGFX-IYBDPMFKSA-N 394.537 3.536 0 40 GHAB O=C(NC[C@H]1Cc2ccccc2O1)Nc1cccc(COC[C@@H]2CCCCO2)c1 47627226 LZXJMNDJRGQEGV-LEWJYISDSA-N 396.487 3.898 0 40 GHAB O=C(NCCc1cc(F)cc2c1OCOC2)c1ccc(-n2cc[nH]c2=S)cc1 52901964 VNBSZZKFGCMBPW-UHFFFAOYSA-N 399.447 3.513 0 40 GHAB Cn1c(-c2ccccc2)nn(CN2CCN(c3ccccc3F)CC2)c1=S 56552617 JTGDGZFUHXRPJU-UHFFFAOYSA-N 383.496 3.537 0 40 GHAB CC(C)C[C@@H](c1nnnn1C(C)C)N1CCN(c2cccc(Cl)c2)CC1 57670209 TZHKRJCKNNDDAQ-SFHVURJKSA-N 376.936 3.817 0 40 GHAB Cc1ccc(-n2ncc(C(=O)NCCCc3cn[nH]c3C)c2C(F)(F)F)cc1 60343981 ZDGVCDCQBTUYPN-UHFFFAOYSA-N 391.397 3.594 0 40 GHAB Cc1ccc(NC(=O)Cn2cc(-c3ccccc3)c(N3CCOCC3)n2)c(C)c1 62006865 GVNFSTQQTWNDAN-UHFFFAOYSA-N 390.487 3.642 0 40 GHAB Cn1cc(C(=O)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cn1 65514711 JVCRYFPNQAQTJU-UHFFFAOYSA-N 395.271 3.596 0 40 GHAB CCCOc1ccc(CNC(=O)c2n[nH]nc2Nc2cccc(Cl)c2)cc1 67284055 VIVZKGKPKVIQOZ-UHFFFAOYSA-N 385.855 3.921 0 40 GHAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccc2c(c1)OCO2 67295400 NUIZZXQFKDETKZ-GYHWCHFESA-N 388.379 3.917 0 40 GHAB COc1ccccc1NC(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1 70638584 GAKDBRSACFXYRN-UHFFFAOYSA-N 398.444 3.587 0 40 GHAB O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1cc(F)c(F)c(F)c1 71282778 SSZQHBIETDVHGB-UHFFFAOYSA-N 393.752 3.620 0 40 GHAB CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 71795933 DUWGAORMDXNYCQ-NSHDSACASA-N 397.456 3.987 0 40 GHAB NC(=S)c1ccc2oc(-c3cccc(I)c3)nc2c1 73634118 CJLPRCFKMGNFEO-UHFFFAOYSA-N 380.210 3.734 0 40 GHAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 79191071 DTIIDUXSMLUFKY-QFBILLFUSA-N 386.927 3.735 0 40 GHAB biogenic CC(=O)c1cccc(OCCCC(=O)N(Cc2ccccc2)CC(C)(C)O)c1 95463341 CFFYTXMNMYKUQF-UHFFFAOYSA-N 383.488 3.848 0 40 GHAB C[C@@H]1C[C@H]1c1cc(NC(=O)c2cccc3c2oc(=O)n3C)n(-c2ccccc2)n1 95975771 RGAQPIFFCBRBIF-CZUORRHYSA-N 388.427 3.693 0 40 GHAB CCOc1ccc2c(c1)cc(C(=O)Nc1sc3c(c1C(N)=O)CCCC3)n2C 96291501 FNXBUAGPVSYVNX-UHFFFAOYSA-N 397.500 3.869 0 40 GHAB Cc1csc(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)n1 97286367 XEQAOTZNUXCKOH-UHFFFAOYSA-N 375.925 3.875 0 40 GHAB COc1cc(CN2C[C@H]3CCC[C@H](C2)C3N2CCCCC2)cc(OC)c1OC 100214025 JVIBUCSPUGWKAZ-RTBURBONSA-N 388.552 3.799 0 40 GHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 100750070 RPTBUMQSMWNENC-IEGUWTFLSA-N 397.494 3.563 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1C 223019025 QYLYYHBDNGYDMG-NHCUHLMSSA-N 392.528 3.800 0 40 GHAB S=C(NCC1(c2ccccc2)CCOCC1)Nc1ccc(N2CCCC2)nc1 224012625 BOBRAZPGIGQASI-UHFFFAOYSA-N 396.560 3.717 0 40 GHAB Cc1ccc(C(=O)NCC(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 224048074 KCLJAXZPWFAVPD-UHFFFAOYSA-N 380.897 3.835 0 40 GHAB Cc1cccc(C)c1N(CCCC(=O)NCC1CCCCC1)S(C)(=O)=O 224653406 NRZXLILFTYGMJK-UHFFFAOYSA-N 380.554 3.546 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 224656673 AYVITRASEICXAQ-MRXNPFEDSA-N 388.895 3.662 0 40 GHAB CCn1c(=O)sc2cc(NC(=O)c3ccc(Cn4ccnc4)cc3)ccc21 225125190 QOKPJWHICWZFIF-UHFFFAOYSA-N 378.457 3.580 0 40 GHAB O=C(c1ccc(Oc2nccs2)cc1)N1CCN(CCc2ccccc2)CC1 225637503 UJSAZHVEKIEUAS-UHFFFAOYSA-N 393.512 3.936 0 40 GHAB CC1CCN(c2cc(N3CCC[C@@H](C)C3)nc(NC(=S)NC(C)C)n2)CC1 225888594 BXWQYCPNMHCPRT-MRXNPFEDSA-N 390.601 3.644 0 40 GHAB CCn1nc(C)c(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2C)c1C 227151249 SYILJSGAZYMQSW-UHFFFAOYSA-N 381.480 3.810 0 40 GHAB CCCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1 408707961 MWMSSLCKHJISKN-INIZCTEOSA-N 386.879 3.798 0 40 GHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)COc3ccccc3)[C@](O)(C(F)(F)F)[C@H]2C1 409085624 DZOWTCIRSRTAIJ-FRIZHTMISA-N 398.425 3.977 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(F)cc2)cc1 409101775 RFAWBNKTBGBFRL-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB O=C(NCc1ccc(-c2ccco2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 575611466 VLEBILPIXCOOQT-UHFFFAOYSA-N 394.305 3.693 0 40 GHAB Cn1cc(-c2ccc3c(n2)N(C(=O)CCc2c[nH]c4ccccc24)CCC3)cn1 622928390 BXIGJGPQCQUYKT-UHFFFAOYSA-N 385.471 3.875 0 40 GHAB Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4CCCC[C@@H]4N)CC3)n2)s1 643550911 TUDTYKMHPBXBHN-IRXDYDNUSA-N 399.564 3.814 0 40 GHAB COc1ccccc1[C@H]1CNC[C@@]12CN(C(C)C)C(=O)N2c1cccc(F)c1 643552020 PLSVABGHHGDXNW-DENIHFKCSA-N 383.467 3.611 0 40 GHAB C[C@@]1(C(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)CC=CCC1 1565556800 WQJQUQJUXALUMD-JOCHJYFZSA-N 396.466 3.753 0 40 GHAB COc1ccc(C(=O)N2CC(n3c(C4CC4)nc4ccccc43)C2)cc1OC 1775971155 WWUCDDWVXYMHPC-UHFFFAOYSA-N 377.444 3.628 0 40 GHAB C[C@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1Oc1cccc(Cl)c1 1848357373 QTAJXEZPESTTJJ-ICSRJNTNSA-N 394.298 3.967 0 40 GHAB COc1ccccc1NC(=O)CN1CCN(c2cccc3sccc23)CC1 2298164670 LKYOJRGABUELBN-UHFFFAOYSA-N 381.501 3.671 0 40 GHAB Cc1cccc(C)c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 801366 CEDRTSIXMZEFCR-KRWDZBQOSA-N 392.908 3.749 0 40 GHAB O=C(O)CSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1 900534 RCTDANZHWNOQIY-UHFFFAOYSA-N 388.880 3.769 0 40 GHAB CCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1cccnc1 1362412 UXNSSJWHLJAEKA-UHFFFAOYSA-N 397.504 3.798 0 40 GHAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=O)NC3CCCCC3)cc12 1371597 AHOZQWBFIZQXAH-UHFFFAOYSA-N 398.551 3.551 0 40 GHAB Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1O 1786220 ZOPSQVLOVVVWKJ-UHFFFAOYSA-N 377.227 3.785 0 40 GHAB COC(=O)[C@@]1(C(F)(F)F)N=C2C(C)=CC=CN2C(c2cccc(Cl)c2)=N1 2050487 JQEQEMGVMKRXNT-MRXNPFEDSA-N 383.757 3.706 0 40 GHAB Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccc(Br)cc1)N2 2447868 TZUSSKIQTKTQNI-CABCVRRESA-N 388.244 3.908 0 40 GHAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccc(Br)cc1 3007465 SCJWWHYTAAFQTK-UHFFFAOYSA-N 398.216 3.544 0 40 GHAB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 3259221 DOBOGJJDKKAUQJ-VOTSOKGWSA-N 381.215 3.592 0 40 GHAB COc1cc(CN(C)C(=S)NCCc2ccccc2)ccc1OC(F)F 3348714 PSXIWIUNATWFOR-UHFFFAOYSA-N 380.460 3.846 0 40 GHAB Cc1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)n1Cc1ccccc1 3411273 DHJCFNFPGIYUSB-FQEVSTJZSA-N 392.528 3.921 0 40 GHAB Cc1sc2nc(SCC(=O)N3c4ccccc4C[C@@H]3C)n(C)c(=O)c2c1C 3569445 KBZVHJUUQMIAIG-NSHDSACASA-N 399.541 3.682 0 40 GHAB COC(=O)[C@@]1(C(F)(F)F)N=C2C(C)=CC=CN2C(c2ccc(Cl)cc2)=N1 3619201 PJEUHLQAIDYYPE-MRXNPFEDSA-N 383.757 3.706 0 40 GHAB O=C(NCc1ccco1)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 4086315 GSJZOKWURRXLTB-RBBKRZOGSA-N 397.434 3.547 0 40 GHAB biogenic COc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)c2ccccc12 4661358 CIIRRQXWSUFEOZ-UHFFFAOYSA-N 396.512 3.668 0 40 GHAB Cc1c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(=O)n(-c2ccccc2)n1C 4682600 JDVVFNQOSZMTCX-UHFFFAOYSA-N 380.835 3.871 0 40 GHAB COCCCNC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CCCC2 5027491 PINQOOKGSOWVQC-UHFFFAOYSA-N 386.517 3.954 0 40 GHAB COc1cc(OC)cc(C(=O)NCCc2csc(-c3cccc(OC)c3)n2)c1 5451662 URTOGTLLGMDDRI-UHFFFAOYSA-N 398.484 3.808 0 40 GHAB CC(=O)c1cccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c1 5677560 DZTMWPYHXDUZOD-UHFFFAOYSA-N 375.428 3.578 0 40 GHAB biogenic O=c1c2ccccc2nc(SCCOc2ccc(Cl)cc2)n1CCCO 6366282 MXSYSBBNZPGHJC-UHFFFAOYSA-N 390.892 3.603 0 40 GHAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)C1=O 6655003 CODIJQUWYKXAPQ-IZZDOVSWSA-N 390.244 3.903 0 40 GHAB CC(C)(C)C(=O)Nc1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1 7294300 RWXIYGGIGDWJQU-UHFFFAOYSA-N 379.416 3.983 0 40 GHAB CCc1ccc(NC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 7950767 MYXBOFIMKSBCMQ-UHFFFAOYSA-N 381.432 3.888 0 40 GHAB CCOC(=O)c1c(NC(=O)CNc2cc(F)ccc2C)sc(C(C)=O)c1C 7972794 NDMCBSDFVWYREO-UHFFFAOYSA-N 392.452 3.934 0 40 GHAB C[C@@H]1C[C@H](Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)C(=O)O1 8271096 MWVFYJFCPPUQOP-DYVFJYSZSA-N 383.448 3.929 0 40 GHAB O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccccc3F)ccc(=O)n1C2 8300284 YCYIVZZPRPVOMX-FUHWJXTLSA-N 388.442 3.914 0 40 GHAB biogenic,in-vitro Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 8369929 WENDYUWNWNDOKE-UHFFFAOYSA-N 387.288 3.527 0 40 GHAB CC(C)CC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 8503458 KVSJKMWZCNWXKV-MWTRTKDXSA-N 395.503 3.548 0 40 GHAB O=C(NCCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccco2)CC1 8849749 SEAGEQKEKMSGIS-UHFFFAOYSA-N 395.286 3.798 0 40 GHAB O=S(=O)(Cc1ccc(F)cc1)NC[C@@H](c1ccsc1)N1CCCCCC1 8901791 QFTSYIPUHRSMSG-IBGZPJMESA-N 396.553 3.924 0 40 GHAB c1cc2c(cc1-c1csc(Cc3nnc4n3CCCCC4)n1)OCCCO2 8943752 OUTHGIKBRBOWRA-UHFFFAOYSA-N 382.489 3.880 0 40 GHAB O=C(CSc1nnc2n1CCCCC2)N1CCS[C@H]1c1ccccc1F 9512820 ASONNLQIYTXPTN-KRWDZBQOSA-N 392.525 3.510 0 40 GHAB Cc1csc2nc(CN3CCC(c4c[nH]c5ccccc45)CC3)cc(=O)n12 10140609 NMFSOHVZPRRFSY-UHFFFAOYSA-N 378.501 3.925 0 40 GHAB CCOc1cccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 10294704 APOKZDMPWRIPPX-CYBMUJFWSA-N 396.896 3.532 0 40 GHAB COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C)Nc2ncnn21 11694802 VFSIWQINXIDRHZ-OCBCSQNSSA-N 397.866 3.598 0 40 GHAB COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCc2c(C)noc2C)cc1 12145674 VNCFQISAZBWUMM-HXUWFJFHSA-N 394.475 3.612 0 40 GHAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12181015 OLYOTEAWHBBYRY-ZNXRZULTSA-N 391.446 3.542 0 40 GHAB CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCc4ccccc4C3)ccc21 12291381 DHTNLHAXYWIZAL-QHCPKHFHSA-N 378.516 3.714 0 40 GHAB O=C(CNC(=O)c1cccc(-n2cccc2)c1)Nc1ccccc1Br 12521814 YATIZGCQISHGHL-UHFFFAOYSA-N 398.260 3.608 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(OC)c1 12767348 BDNKALUBIQGOPM-YLZCUGDYSA-N 394.471 3.594 0 40 GHAB Cc1ccc(Cl)cc1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 12929500 OAPHKYAVOJXYSB-UHFFFAOYSA-N 376.247 3.933 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)c1 12974377 LYLLOUPTNYSPQI-UHFFFAOYSA-N 399.248 3.846 0 40 GHAB CCOc1ccc([C@H](C)NC(=O)COc2ccc(C(C)=O)cc2)cc1OCC 13017356 XPXXRNKHZRYTDC-HNNXBMFYSA-N 385.460 3.943 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 13022776 LDZUHTRMFKHMLF-GFCCVEGCSA-N 378.881 3.901 0 40 GHAB C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1cccs1)N1CCOCC1 13878802 BVBLEVQRZNEENQ-CXAGYDPISA-N 379.526 3.636 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 14139368 NXFSWUMXUAUBHB-AWEZNQCLSA-N 375.424 3.638 0 40 GHAB COc1cccc(Cn2nccc2NC(=O)COc2cc(C)cc(C)c2)c1OC 14199087 VTJPQXMXUPMGTL-UHFFFAOYSA-N 395.459 3.583 0 40 GHAB C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc2ccccc2c1 14424767 FIELINNQUIMLND-YSSFQJQWSA-N 378.472 3.582 0 40 GHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccccc2OC(F)F)C1=O 14557919 SSHVJBAFBTXKNK-LJQANCHMSA-N 378.350 3.784 0 40 GHAB Cc1cc(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)nc(C(C)C)n1 16103234 CXLIDYDJABSFEG-UHFFFAOYSA-N 382.508 3.658 0 40 GHAB COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 17976125 ALEGWGLRDQQBMM-CALCHBBNSA-N 379.412 3.594 0 40 GHAB CCCN1CCN(CC2CC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19502932 UUYDAAPNQLAMOB-HSZRJFAPSA-N 377.532 3.872 0 40 GHAB CCCN1CCN(CC2CC2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 19503262 ISJFPIHINTYKGV-JOCHJYFZSA-N 377.532 3.872 0 40 GHAB CCOc1ccc2[nH]c(C(=O)N3CCC(O)(c4ccccc4C)CC3)cc2c1 19519903 URVHJBSXOLPRAA-UHFFFAOYSA-N 378.472 3.999 0 40 GHAB CN1CCN(Cc2ccccc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O 19589691 XFCMBNMSPWPHRQ-HSZRJFAPSA-N 385.511 3.882 0 40 GHAB C[C@@H]1Oc2ccc(-c3csc(NC(=O)c4ccc(F)cc4)n3)cc2N(C)C1=O 19796681 ISGCVKLFIUXHCF-NSHDSACASA-N 397.431 3.945 0 40 GHAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)CSc3ccccc3C)ccc21 21760660 ZCTHHHYMWUOYHE-OAHLLOKOSA-N 397.496 3.811 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NCCCc1nc2ccccc2[nH]1 22382986 OLGXSXUDOGLWRR-UHFFFAOYSA-N 375.472 3.764 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](c3nnc(CC(C)(C)C)o3)C2)c1 23140393 GWSQGHHGVHLENA-MRXNPFEDSA-N 391.537 3.843 0 40 GHAB COc1ccc(NC(=O)Cn2c(-c3cccnc3)nc3ccccc32)c(OC)c1 23144116 WKABXRKRALBHHZ-UHFFFAOYSA-N 388.427 3.754 0 40 GHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(-c3ccccc3Cl)cs1)CS2 23681581 KFVPIBQIOPWUEY-CXAGYDPISA-N 393.921 3.856 0 40 GHAB Cc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)o1 23710233 UALQPSKHBMIKDY-UHFFFAOYSA-N 390.486 3.723 0 40 GHAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc2c3c(cccc13)CC2 24870402 XWXNDSRBWDQVDI-UHFFFAOYSA-N 384.435 3.953 0 40 GHAB C[C@@H](CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccccc1 25454273 VVALFFDWZDCFDT-AWEZNQCLSA-N 378.394 3.872 0 40 GHAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccco2)c1 26771549 DZBUYJGHEJWNPI-PIPMEXSNSA-N 385.460 3.805 0 40 GHAB biogenic COc1ccc(-c2nnc([C@H](C)N3CCN(c4cccc(C)c4)CC3)o2)cc1 27385101 AAOLJBKEEZKUKR-KRWDZBQOSA-N 378.476 3.937 0 40 GHAB COc1ccc(N2C[C@](O)(c3ccc(C)cc3)[N+]3=C2CCCCC3)c(OC)c1 27525160 FYPFSQDJAQMJNA-QHCPKHFHSA-N 381.496 3.663 0 40 GHAB COc1ccc([C@H]2[C@@H](C(=O)NC3CC3)CCC(=O)N2c2ccc(C)cc2)cc1 30553919 YEWGQEZKMJHUSC-UNMCSNQZSA-N 378.472 3.767 0 40 GHAB Cc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 31107435 QRQIUDCXHCGKLC-UHFFFAOYSA-N 386.498 3.787 0 40 GHAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)Nc1cccc2ncccc12 31156483 SGEAVKZBDNDVOA-KRWDZBQOSA-N 390.487 3.749 0 40 GHAB CCn1ncc2c(C(=O)NCCc3ccccn3)cc(-c3cccs3)nc21 32657242 SWUKHCYLHGZQLU-UHFFFAOYSA-N 377.473 3.547 0 40 GHAB CCOc1ccccc1C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 32931430 YGVAUAGQBPGEOG-UHFFFAOYSA-N 393.409 3.898 0 40 GHAB COC(=O)c1ccc(NC(=O)Cn2ccc3ccc(Br)cc32)cc1 36365323 YJGQRVPRMUWFPX-UHFFFAOYSA-N 387.233 3.829 0 40 GHAB CCOC(=O)c1sc(N(C(=O)/C=C/c2cn(CC)nc2C)C(C)C)nc1C 36612516 GBHYYRRTIRUMBZ-MDZDMXLPSA-N 390.509 3.608 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1 38238700 HRYRRFMSKNTTBT-FGZHOGPDSA-N 380.513 3.757 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C 40009577 LKOAPALNYSFBNE-RYUDHWBXSA-N 385.416 3.627 0 40 GHAB O=C(C1CC1)N1CCC(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)CC1 40069928 MOFHRFIQSKBEKJ-UHFFFAOYSA-N 380.410 3.633 0 40 GHAB CC(C)c1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C(C)C)c1 40104927 MWQGHJJVAPCXCK-FQEVSTJZSA-N 387.524 3.789 0 40 GHAB Cc1cc(C)nc(Sc2ccc(NC(=O)CN3CCCCCCC3=O)cc2)n1 40132319 MAERHNNRBASVKU-UHFFFAOYSA-N 398.532 3.976 0 40 GHAB O=C(c1ccccc1Oc1ccccc1)N1CCC(CN2CCOCC2)CC1 47423464 OKKVLBLTCPEIKH-UHFFFAOYSA-N 380.488 3.663 0 40 GHAB COc1ccc2c(c1)NC(=O)[C@@]21Nc2ccccc2C(=O)N1c1ccc(F)cc1 48333198 QWRHUWRKFZQSBP-JOCHJYFZSA-N 389.386 3.712 0 40 GHAB CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 48367198 CCMCJXPWPSMXTP-QGZVFWFLSA-N 399.516 3.976 0 40 GHAB Cc1cc(NC(=O)N[C@H]2CCOc3c(Cl)cccc32)n(-c2ccccn2)n1 56580513 VLNJKFFHCDWKDF-HNNXBMFYSA-N 383.839 3.874 0 40 GHAB CCc1ccc2c(CN3CCN(c4ccc(C(C)=O)cc4)CC3)cc(=O)oc2c1 57024567 XOMIASKKDWFPFN-UHFFFAOYSA-N 390.483 3.880 0 40 GHAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)c1ccnc(-n2cncn2)c1 65552697 MZKBCRJQGVZAFJ-JOCHJYFZSA-N 395.422 3.928 0 40 GHAB CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 71280888 IXYSNJPFISXRPY-ZWOKBUDYSA-N 384.520 3.633 0 40 GHAB COc1cc(CC(=O)NC[C@@](O)(Cc2ccccc2)c2ccccc2)ccc1C 72304412 HSTXYVVAHNHDNK-VWLOTQADSA-N 389.495 3.793 0 40 GHAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccco4)C[C@@H]3C(C)C)[nH]n2)o1 72324118 ZOWOQVIGSDWWEY-LJQANCHMSA-N 382.464 3.554 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)N[C@H]1CCCC[C@H]1C(F)(F)F 84504851 ZDTQFYDTMJXLGQ-SJORKVTESA-N 380.414 3.852 0 40 GHAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 85413610 FIHRXCSVOUKRFZ-RHSMWYFYSA-N 390.313 3.878 0 40 GHAB O=C(CNc1ccc2c(c1)OC(F)(F)O2)Nc1ccc(N2CCCC2)cc1 89788336 DYFORGVBSUVGGR-UHFFFAOYSA-N 375.375 3.659 0 40 GHAB O=C(Cc1ccccc1Cl)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 90593573 ADSYAKFNBORXIG-UHFFFAOYSA-N 397.818 3.619 0 40 GHAB O=C([C@@H]1C[C@]2(CO1)CN(Cc1ccc(F)cc1F)c1ccccc12)N1CCCC1 96143996 HDDSJGYVTBCVPG-JTHBVZDNSA-N 398.453 3.634 0 40 GHAB Cc1ccccc1C(=O)N1C[C@@H](C(=O)Nc2cccc(F)c2)C2(CCOCC2)C1 96241085 SQBOMRONDXYDQF-FQEVSTJZSA-N 396.462 3.642 0 40 GHAB Cc1csc(C(=O)N2[C@@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)c1 101323133 HEEDGZPBSWKCPC-HUUCEWRRSA-N 375.515 3.666 0 40 GHAB Cc1cc(C)cc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c1 102550075 RJGHYKRQCUKQIV-USNOLKROSA-N 387.435 3.834 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(I)cc2)cc1 105845373 IXPBPVDPDQSTLE-CYBMUJFWSA-N 395.240 3.856 0 40 GHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cc2c(cc1Br)NC(=O)CO2 107075269 SUBVAUKISRRDJQ-DCAQKATOSA-N 379.254 3.545 0 40 GHAB C[C@@H](NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1)[C@H]1C[C@H]2CC[C@H]1C2 108833674 CQXMBIFZBHZLIH-ZOBORPQBSA-N 397.924 3.849 0 40 GHAB CC[C@@H](C)NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 113940930 RLHBUHOCFSLUSV-CYBMUJFWSA-N 398.887 3.589 0 40 GHAB COC(=O)[C@@H](C)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925097 KTYGJLFJXQXPCP-PIBIHOLQSA-N 376.537 3.850 0 40 GHAB O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1 189264750 IGQKFMWAWLQYIG-UHFFFAOYSA-N 383.439 3.814 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222492916 GWLDJAUODFKTDI-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222671773 YBSOJXVLWHUXAW-SFHVURJKSA-N 382.504 3.706 0 40 GHAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1 222873702 YHGQWRUJJMGXER-OAHLLOKOSA-N 390.936 3.638 0 40 GHAB CN1C(=O)CC[C@@H](C(=O)NCCCc2ccc(F)cc2)[C@@H]1c1cccc(F)c1 223282498 GKMRWSYUPYNNTM-CTNGQTDRSA-N 386.442 3.623 0 40 GHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 223283019 PBVQOIQIKOCRSG-NHCUHLMSSA-N 392.528 3.876 0 40 GHAB CCc1ccc(OCCNC(=O)COc2ccc(Br)cc2)cc1 224240832 KRUMNENGKWPNHD-UHFFFAOYSA-N 378.266 3.586 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 224257172 JDOGHVKAROTXIK-NRFANRHFSA-N 396.531 3.934 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 225209086 IUOJAEVGVUOQAP-SJORKVTESA-N 386.467 3.537 0 40 GHAB O=C1C(=O)N(c2cccnc2)[C@@H](c2ccccc2Cl)[C@H]1C(=O)c1ccccc1 245015202 LQLIFPNCYWJSQV-OALUTQOASA-N 390.826 3.891 0 40 GHAB O=C(c1ccc2c(c1)C1(CCCC1)CN2Cc1cccnc1)N1CCC(O)CC1 248071746 YMQFRODFAXCTFD-UHFFFAOYSA-N 391.515 3.511 0 40 GHAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4ocnc4C)C3)o2)cc1 257323573 WKYLNEAIPOXMHT-INIZCTEOSA-N 381.432 3.590 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3cccnc3)CC2)n1 257333814 YDEIEAJHVQKUAY-UAPYVXQJSA-N 387.487 3.946 0 40 GHAB O=C(Nc1ccccc1)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1 408978420 ZQIPGMIWFMMCAF-UHFFFAOYSA-N 394.390 3.683 0 40 GHAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OC(C)C 409227832 RRJZRFJHNLUMQR-WOJGMQOQSA-N 380.444 3.884 0 40 GHAB O=C(CSCc1ccccc1)N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F 409356020 DPNOENHIWAFDMS-WMLDXEAASA-N 386.439 3.949 0 40 GHAB CN(C(=O)c1ccc(NC(=O)C2(C(F)F)CCCC2)cc1)C1CCOCC1 585083516 GTWLWWYTOCERLN-UHFFFAOYSA-N 380.435 3.702 0 40 GHAB O=C(N[C@@H]1CCOc2ccccc21)c1csc(NC(=O)c2cccs2)n1 685944091 JPYWZAPPBWWGQL-GFCCVEGCSA-N 385.470 3.711 0 40 GHAB O=C1CC[C@@H](c2cccc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)c2)N1 1528743318 PEWLNYHNPJUSHR-IBGZPJMESA-N 394.862 3.788 0 40 GHAB Clc1cnccc1N1CCC[C@@H](COc2ncc(Br)cn2)C1 1776000939 QRVWSVCMNXNJOF-LLVKDONJSA-N 383.677 3.583 0 40 GHAB CC(C)c1ocnc1CN1C[C@@H]2CN(c3ncccc3C(F)(F)F)C[C@H]2C1 1888863934 GSTAEOXKSVMEON-ZIAGYGMSSA-N 380.414 3.780 0 40 GHAB Cc1cccc(C)c1CN1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037977876 SPLYWUDSYFDANE-QHCPKHFHSA-N 382.479 3.841 0 40 GHAB COc1ccc([C@H](CC(=O)Nc2ccc(C)cc2)NC(=O)C(F)(F)F)cc1 3087902 HUQWVJVVOVLDRI-INIZCTEOSA-N 380.366 3.752 0 40 GHAB aggregator Cc1ccc(-n2nnnc2SCCC(=O)Nc2ccc3c(c2)CCC3)cc1 24831107 ZLAWFOZTIXLMAX-UHFFFAOYSA-N 379.489 3.580 0 40 GHAB Cc1cc(NS(=O)(=O)c2ccc(Sc3ccc(Cl)cc3)nc2)no1 24990646 ZAPVODKNKBQBMD-UHFFFAOYSA-N 381.866 3.983 0 40 GHAB Cc1ccc(N2CCN(CCCN3CCN(c4ccc(C)cc4)CC3)CC2)cc1 2022102 NMKDWMCSZAMACR-UHFFFAOYSA-N 392.591 3.638 0 40 GHAB COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccccc1F 2703644 BXTWSKSAHYCRAN-LJQANCHMSA-N 381.403 3.741 0 40 GHAB COc1ccccc1CNC(=O)CN1CCC(c2nc3ccccc3s2)CC1 4966560 INEGZSVHHGAFDT-UHFFFAOYSA-N 395.528 3.801 0 40 GHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 4971398 VDNDQYIGGARIPU-UHFFFAOYSA-N 390.892 3.748 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nn3cnnc3s2)c1 6826078 KEEDLJDEWANXER-UHFFFAOYSA-N 399.863 3.832 0 40 GHAB Cc1cc(CN(C)C(=O)NC2CCC(O)CC2)cc(C)c1OCC(F)(F)F 56781829 XMLFPSKBASRJCV-UHFFFAOYSA-N 388.430 3.689 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc(F)cc2Cl)nc(N2CCCCCC2)n1 44170173 CONXSRXRRAEZTH-UHFFFAOYSA-N 392.862 3.975 0 40 GHAB Cc1cccc(-n2c(SCC(=O)NC3CCCC3)nc3ccsc3c2=O)c1 57487398 RYRJHFAIXNQICB-UHFFFAOYSA-N 399.541 3.907 0 40 GHAB CCc1nc2ccccc2n1CC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 12507780 COYMCIXKSWNQJU-UHFFFAOYSA-N 399.878 3.730 0 40 GHAB COc1ccc(-n2nnnc2C2(Nc3ccccc3C)CCCC2)cc1OC 35622288 ZCGWCHWGLWXRBT-UHFFFAOYSA-N 379.464 3.869 0 40 GHAB Cc1noc([C@H](C)OC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)n1 27059915 CUNNVEGOLCLDEK-ZDUSSCGKSA-N 375.388 3.544 0 40 GHAB Cc1cc(=O)oc2c(C)c(OC(=O)CCCNC(=O)OC(C)(C)C)ccc12 2092722 ZVVZBMIDAHPZBM-UHFFFAOYSA-N 375.421 3.620 0 40 GHAB biogenic COc1cc(CN(C)C(=O)c2cn3ccc(C)cc3n2)ccc1OC(F)F 23498363 IIRMVAJQQISPTD-UHFFFAOYSA-N 375.375 3.525 0 40 GHAB C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 58596077 FDWPYDFMGNWZBL-ZACQAIPSSA-N 379.566 3.792 0 40 GHAB CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1Cc1ccccc1 2224945 QNAWJFYWVXVJKH-UHFFFAOYSA-N 388.471 3.536 0 40 GHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCc2sccc2[C@H]1c1cccs1 36386939 GJIDXFIGYOKGMM-IYOUNJFTSA-N 384.526 3.666 0 40 GHAB CCn1nc(C)c2c(C(=O)Nc3cnn(Cc4ccc(C)cc4)c3)cc(C)nc21 28243956 SOCAFBVTJBQGDP-UHFFFAOYSA-N 388.475 3.874 0 40 GHAB CCOC(=O)C1CCN(Cn2nc(NC3CCCCC3)sc2=S)CC1 28705313 CKZHAZVJCXATKL-UHFFFAOYSA-N 384.571 3.651 0 40 GHAB Cc1cccc(C)c1-n1nnnc1CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 95399454 OESZQXPNCKFVHG-GOSISDBHSA-N 393.466 3.513 0 40 GHAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1Sc1ccccc1 12643559 JEZGPKYSAIQVLN-IAGOWNOFSA-N 392.480 3.728 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)OCc1nc(-c2c(F)cccc2F)cs1 96013271 YBJCMKOYZCHRIC-UHFFFAOYSA-N 377.416 3.725 0 40 GHAB Cc1cc(C(=O)NCc2ccccc2OC2CCCC2)c2c(C)nn(C)c2n1 46781987 CIZLCYSWYTZDSB-UHFFFAOYSA-N 378.476 3.837 0 40 GHAB COc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nnnn32)cc1 2914454 NYFVVEWLRMJXEF-HZPDHXFCSA-N 386.253 3.591 0 40 GHAB C=Cn1nnc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 10119643 ZNOMWNFNAPTUMX-VMPITWQZSA-N 376.203 3.992 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OC(C)C)cc2)c1C 3321698 CTZBAQBFLHPGEF-UHFFFAOYSA-N 387.432 3.635 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(Cl)cc1 10441447 FHGJTTMXVWMONA-UHFFFAOYSA-N 377.824 3.715 0 40 GHAB COC(=O)c1cn(CC(=O)N[C@@H](C)Cc2cccc(Cl)c2)c2ccccc12 48310299 CRVIVKQTHYHXAD-AWEZNQCLSA-N 384.863 3.829 0 40 GHAB COc1ccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 22131943 FYXMZQMZEJJGLJ-IBGZPJMESA-N 383.444 3.599 0 40 GHAB CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 12991705 KDBOFVVRMLPHDD-IBGZPJMESA-N 379.453 3.663 0 40 GHAB Cc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(F)cc2)cc1C 9237582 PTGYAICPWLEGEW-ROUUACIJSA-N 397.479 3.740 0 40 GHAB COc1ccc(Cc2nnc(Nc3ccc(C(F)(F)F)cc3)[nH]c2=O)cc1 4225003 FOUZFKXRJRKWME-UHFFFAOYSA-N 376.338 3.527 0 40 GHAB CCOC(=O)c1sc(NC(=S)N2CCC(C)CC2)c(C(=O)OCC)c1C 13826219 SVBKHHLVDWJCHP-UHFFFAOYSA-N 398.550 3.839 0 40 GHAB CCCn1c2ccccc2c2nnc(SCn3nnc4ccccc43)nc21 13942900 MNNGGIJIRHQALC-UHFFFAOYSA-N 375.461 3.884 0 40 GHAB CCc1cccc(CC)c1-n1c(SCC(=O)OC)nnc1-c1cccnc1 6365541 VFTMNJROBOGYIM-UHFFFAOYSA-N 382.489 3.719 0 40 GHAB COc1ccc(NC(=O)c2nnn(-c3ccc(C(C)C)cc3)c2C)c(OC)c1 4484279 XIUOWGYHQMPEKR-UHFFFAOYSA-N 380.448 3.969 0 40 GHAB COc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c1 9481385 QCJTZMMHPGHJRQ-MRXNPFEDSA-N 377.444 3.667 0 40 GHAB Nc1nc(N)nc(CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)n1 6933458 PEMAMRDJWIJQFY-UHFFFAOYSA-N 387.519 3.508 0 40 GHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)cc1 5956790 YXZMFOOFWHZOLE-LLVKDONJSA-N 377.824 3.758 0 40 GHAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2)c1C 67322292 XDBANBISLUIPPP-UHFFFAOYSA-N 397.866 3.693 0 40 GHAB O=S(=O)(NCCCn1cnc2ccccc21)c1cc(Cl)ccc1Cl 7286628 PRRGUGSKEYCEAL-UHFFFAOYSA-N 384.288 3.712 0 40 GHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c(C)n1Cc1ccco1 16695824 IMHMFODCEUFVJW-MRXNPFEDSA-N 392.455 3.881 0 40 GHAB CC(C)c1cc(C(=O)NCc2cn3ccccc3n2)c2cnn(C(C)C)c2n1 8279175 CBIOAXGPKCBUJK-UHFFFAOYSA-N 376.464 3.713 0 40 GHAB CC(C)(C)OC(=O)N1CCC(Oc2nc3ccccc3nc2NC2CC2)CC1 72202881 JDSHYHHXVUCPQZ-UHFFFAOYSA-N 384.480 3.982 0 40 GHAB CCCN1C(=O)[C@](Nc2ncccc2C)(C(F)(F)F)N=C1c1ccccc1 19939506 DTBXFWPXXSLROY-GOSISDBHSA-N 376.382 3.760 0 40 GHAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(Cc2ccc(Cl)cc2)CC1 18017622 YPDYPUOZGJSWRH-UHFFFAOYSA-N 380.879 3.688 0 40 GHAB COC(=O)c1sccc1NC(=S)N1CCN(c2cccc(C)c2C)CC1 8682581 NCEZIURPZLSTRB-UHFFFAOYSA-N 389.546 3.671 0 40 GHAB CCCCc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)cc1 9059655 HAZOMTFFSCYQMS-MRXNPFEDSA-N 378.480 3.551 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)c1cccc2ccccc12 70636169 AERLNSFMDOKKAF-KRWDZBQOSA-N 391.876 3.514 0 40 GHAB CCCCCNC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 408979105 LIKFHGXHEULGSS-HXUWFJFHSA-N 388.533 3.711 0 40 GHAB Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 69421280 LBMKJCDDCWNSHY-HNNXBMFYSA-N 376.378 3.683 0 40 GHAB CCOc1ccc(NC(=O)c2ccc3nc(N4C(=O)CCC4=O)sc3c2)cc1 408977642 XACSFCKSHALTQO-UHFFFAOYSA-N 395.440 3.601 0 40 GHAB CCOCc1nc2ccccc2n1S(=O)(=O)c1ccc(Br)cc1 35288767 HDXYVFNOEGSWDZ-UHFFFAOYSA-N 395.278 3.572 0 40 GHAB O=C(COc1ccc(Cl)cc1-n1cnnc1)Nc1ccccc1C(F)(F)F 32646755 LWDXMDXTKCIEKM-UHFFFAOYSA-N 396.756 3.957 0 40 GHAB CCc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1 507227272 FFYDMJOZCZURJJ-HSZRJFAPSA-N 392.543 3.908 0 40 GHAB Cc1nc(-c2cccc(NC(=O)Cn3nc(-c4ccco4)ccc3=O)c2)cs1 56901000 RUYSAGCHHSYYTM-UHFFFAOYSA-N 392.440 3.574 0 40 GHAB CC[C@H](c1ccccc1)S(=O)(=O)NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 529019633 IDCQIZOFFDBAPP-GBESFXJTSA-N 375.465 3.917 0 40 GHAB NC(=O)c1ccc2nc(-c3cccc(I)c3)sc2c1 73740426 IQCZEJYKEFEWTD-UHFFFAOYSA-N 380.210 3.667 0 40 GHAB O=C(CCc1nc(-c2cccnc2)no1)NCc1ccc(Cl)cc1Cl 46419795 VRHMCVAQBDSBLI-UHFFFAOYSA-N 377.231 3.687 0 40 GHAB CCOc1ccc(CC(=O)OCC(=O)Nc2cc(C)ccc2C)cc1OCC 72330928 JCUTYQPLNMYRSK-UHFFFAOYSA-N 385.460 3.825 0 40 GHAB Cc1cnccc1OC1CCN(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)CC1 563906091 ARZMTUVHISNZJR-OAHLLOKOSA-N 379.464 3.580 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 222586829 PWDMVUSRNZANIT-INIZCTEOSA-N 388.508 3.531 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 222840089 HORILYAMEWYWRB-JOCHJYFZSA-N 396.531 3.878 0 40 GHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(=O)O)c1 222798630 MEIMHXFRTIFNKU-RTBURBONSA-N 392.484 3.563 0 40 GHAB COc1cc(OC)c([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222562988 CWWOLTCZDYNEBW-RQUSPXKASA-N 385.489 3.697 0 40 GHAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(C)C)c2)c1=O 40478539 BFUXQVZBGVQMEP-UHFFFAOYSA-N 393.487 3.725 0 40 GHAB S=C(NCCCc1ccccc1)Nc1nc(Cl)cc(N2CCCC2)n1 225966860 DPCKHODFVKHLCI-UHFFFAOYSA-N 375.929 3.649 0 40 GHAB CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1COC 224690867 WQHKAEFOGXTAJH-UHFFFAOYSA-N 382.504 3.811 0 40 GHAB Cc1ccccc1CNC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 222529864 NQQVAUCEXQHZJO-UHFFFAOYSA-N 394.496 3.750 0 40 GHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1 224658156 GOTHZCRSGNXLIB-SFHVURJKSA-N 382.504 3.571 0 40 GHAB C[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 96171017 VKRSNDINCVCLPZ-VIFPVBQESA-N 386.233 3.889 0 40 GHAB O=C(Cc1ccc2c(c1)OCCCO2)N1CCC[C@H]1c1nc2ccccc2[nH]1 96231813 AVYAMKFAULFYHC-SFHVURJKSA-N 377.444 3.630 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@H](Cc2cncc(-c3ccccc3C(=O)O)n2)C1 257239976 HRPZJERADPDZPB-OAHLLOKOSA-N 381.476 3.669 0 40 GHAB Cc1nnsc1C(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C 90593797 DZIMKPYNWJAYDR-UHFFFAOYSA-N 387.465 3.600 0 40 GHAB COc1ccc(-c2cncc(C(=O)Nc3cnc4c(c3)C[C@@H](N)CC4)c2)c(C)c1 638154557 LTRQXVYCUYGFJQ-SFHVURJKSA-N 388.471 3.529 0 40 GHAB Cn1nccc1C1CCN(Cc2csc(-c3ccc(C(=O)O)cc3)n2)CC1 652407393 OLSMVJPBAOWFMH-UHFFFAOYSA-N 382.489 3.621 0 40 GHAB C[C@H](NC(=O)[C@@H](C)Sc1nnc2c3ccccc3n(C)c2n1)c1ccccc1 585655860 OTAXUHCVMDWHSI-UONOGXRCSA-N 391.500 3.875 0 40 GHAB O=C(NC[C@](O)(Cc1ccccc1)c1ccccc1)c1ccc(-n2cccn2)cc1 72304408 CQGKYRBAOQSMMW-RUZDIDTESA-N 397.478 3.733 0 40 GHAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CCOc3cccc(F)c3)CC1)O2 72390743 LTVQHCQYOKLXSX-UHFFFAOYSA-N 397.446 3.930 0 40 GHAB COc1ccc2cc(CNC(=O)NC[C@H]3CCN(CC(F)(F)F)C3)ccc2c1 45379080 ZSBLSUHMNMOMSX-OAHLLOKOSA-N 395.425 3.532 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)cc1C 1615157672 LQOPLLAZKMOPHN-XMMPIXPASA-N 392.499 3.732 0 40 GHAB CC(=O)N1CCC(N2CCC3(CC2)Oc2ccccc2[C@@H]2O[C@@H](C)CC[C@H]23)CC1 1615160076 XPNDSJMGXSZOQM-LXBDKUERSA-N 398.547 3.781 0 40 GHAB CCN1CCC(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)CC1 1614485307 SXIFXBCGUVXFDB-NQIIRXRSSA-N 387.543 3.763 0 40 GHAB Cc1cccc(C)c1-n1nnnc1S[C@H](C)C(=O)NCCC1=CCCCC1 5391604 NCSATLBBBJQBFP-MRXNPFEDSA-N 385.537 3.766 0 40 GHAB COc1cc(OC)cc(-c2nnc(SCC(=O)N(C)c3ccccc3)o2)c1 5435498 YNMLDSCCDJUYMT-UHFFFAOYSA-N 385.445 3.509 0 40 GHAB COc1ccc2c(c1)C(=O)N[C@@H]2CC(=O)NC1(c2ccc(F)cc2)CCCC1 12155419 OUPIBMSVIUNVIV-LJQANCHMSA-N 382.435 3.595 0 40 GHAB COC(=O)c1ccc(CCC2CCN(C(=O)CCn3nc(C)cc3C)CC2)cc1 12240351 IFPOQNLKSJXCNI-UHFFFAOYSA-N 397.519 3.548 0 40 GHAB Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1 13004969 OWISSQUSSLZZPU-KRWDZBQOSA-N 396.512 3.694 0 40 GHAB CCn1c(N2CCN(C(=S)Nc3ccc(OC)cc3)CC2)nc2ccccc21 13634295 NEWMBJMYBZSPLP-UHFFFAOYSA-N 395.532 3.584 0 40 GHAB NS(=O)(=O)c1ccc(COC(=O)N(c2ccccc2)c2ccccc2)cc1 19142246 KRYOWDVRDFLYQD-UHFFFAOYSA-N 382.441 3.809 0 40 GHAB COc1ccc(CN2CCc3nc4cc(C)nn4c(O)c3CC2)c2ccccc12 19130225 LISWKPCTEPFWIX-UHFFFAOYSA-N 388.471 3.506 0 40 GHAB O=C(CCOc1cccc(F)c1)N1CC[C@H](c2nnc(-c3ccsc3)o2)C1 19294243 JQRAYCZVRQXCSV-ZDUSSCGKSA-N 387.436 3.722 0 40 GHAB Cc1cc(C)n([C@@H](C)CC(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)n1 19573039 HVKXRRCIOOBWAB-PKOBYXMFSA-N 383.492 3.640 0 40 GHAB Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCCN(Cc2ccccn2)CC1 19716819 QMXRLMUQOBSXSF-UHFFFAOYSA-N 390.531 3.765 0 40 GHAB Cc1nc([C@@H]2CCCN(CC(C)C)C2)ncc1C(=O)NCc1ccc(F)cc1 19765446 OCYHNRZTNUBPCH-GOSISDBHSA-N 384.499 3.690 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 169884581 WMEJWKFPRNCQCP-UHFFFAOYSA-N 398.271 3.663 0 40 GHAB COc1ccc(/N=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1 8116384 IJHFSORXTPUDPO-DJKKODMXSA-N 394.221 3.680 0 40 GHAB Cc1cc(C(=O)Nc2ccccc2N2CCCC2=O)nn1-c1ccc(F)cc1F 152640149 ZGJXTXYMLHIBKS-UHFFFAOYSA-N 396.397 3.838 0 40 GHAB CO[C@H]([C@@H](C)C(=O)OCc1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C 309930908 VZIUJIWPLDAAGJ-KBAYOESNSA-N 377.481 3.780 0 40 GHAB Nc1cc(F)ccc1C(=O)OCc1nnc(-c2ccc(Br)s2)o1 18750643 QIMKYEVEIULRIX-UHFFFAOYSA-N 398.213 3.639 0 40 GHAB C[C@@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 7015418 SXITVMBTICDMIL-CYBMUJFWSA-N 375.827 3.931 0 40 GHAB O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCN(c2cnccn2)CC1 11086564 HJMJHCBIWGWAKO-UHFFFAOYSA-N 384.892 3.821 0 40 GHAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)c2cnc(C)cn2)c2ccccc2)c1 11480782 PJLQHUPPUAUHLB-HXUWFJFHSA-N 375.428 3.939 0 40 GHAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)C12CC3CC(CC(C3)C1)C2 22024340 FRNQVVKSCSIPEK-UHFFFAOYSA-N 378.398 3.581 0 40 GHAB O=C(CC1CCCCC1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840209 JCPXSPFYIUAIGU-UHFFFAOYSA-N 388.483 3.521 0 40 GHAB COc1ccc(C(=O)Nc2ccc(I)cc2C)cc1OC 851407 HCXJEZKCANVRIG-UHFFFAOYSA-N 397.212 3.869 0 40 GHAB CCCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(Cl)ccc21 4193282 PTCXXKLHRGWKHM-UHFFFAOYSA-N 391.876 3.906 0 40 GHAB O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)Nc1ccccc1F 5108106 FUOPVLSGXKENRQ-UHFFFAOYSA-N 383.404 3.742 0 40 GHAB COc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccco3)sc2c1 7424699 IOXYLAXSJPKZSR-UHFFFAOYSA-N 382.445 3.832 0 40 GHAB Cc1ccc(-n2ccnc(SCC(=O)Nc3cc(C)ccc3C)c2=O)cc1 9320478 SRIBBZOMDSVNGT-UHFFFAOYSA-N 379.485 3.889 0 40 GHAB Cc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3C)c2=O)cc1F 9761444 STMWAZFKAOJBCK-UHFFFAOYSA-N 383.448 3.719 0 40 GHAB O=C(c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccccc1)N1CCCCC1 33249286 FMTRFAFNJLMKIP-UHFFFAOYSA-N 398.459 3.833 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCS[C@H](c3ccco3)CC2)cc1F 219452769 NOOCOBNQVXAUOP-KRWDZBQOSA-N 385.482 3.686 0 40 GHAB COc1cccc(C(=O)N[C@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)c1OC 77200102 IUXIKRUSWDKIEA-DLBZAZTESA-N 398.459 3.994 0 40 GHAB CO[C@H]1C[C@@H]2CN(Cc3ccncc3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242872 WVECPQNLCXRPLC-YDLSIGKMSA-N 376.504 3.838 0 40 GHAB CN(C)c1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cn1 40038949 QRSUISVDQYWBPZ-UHFFFAOYSA-N 386.253 3.553 0 40 GHAB CCS(=O)(=O)c1ccccc1NC(=O)c1cc(F)ccc1Br 40074543 RXTXQALYKULBID-UHFFFAOYSA-N 386.242 3.634 0 40 GHAB Cc1ccc(-n2nnc(CC(=O)Nc3cc(Cl)c(N)c(Cl)c3)c2C)cc1 50025429 WNKFNHPKZWWCQP-UHFFFAOYSA-N 390.274 3.954 0 40 GHAB CCOc1ccccc1-c1noc(CSCC(=O)N2CCc3ccccc32)n1 31419357 ISHCAHOCATUBJJ-UHFFFAOYSA-N 395.484 3.958 0 40 GHAB COc1ccc(CCC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 20410647 DCDZLCQANKRIKJ-LJQANCHMSA-N 397.471 3.554 0 40 GHAB biogenic Cc1cc(NC(=O)c2nc(-c3ccccc3)oc2C)ccc1N1CCN(C)CC1 32495431 VVNYFCNGTMJMAX-UHFFFAOYSA-N 390.487 3.963 0 40 GHAB CCOc1ccc(-c2cc(C(=O)Nc3ccnn3Cc3ccco3)no2)cc1 32594235 DXISWCKOPJJIQX-UHFFFAOYSA-N 378.388 3.830 0 40 GHAB CCCCNC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c(O)n1 32778455 OALRLYPGBOEVNZ-UHFFFAOYSA-N 393.321 3.621 0 40 GHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)N1CCC[C@H](C)C1 102697119 WZYKLEKXLOWMHR-NWDGAFQWSA-N 377.872 3.667 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1OC 952116 QACFOYWMGGXWAF-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB COCCCN1COc2ccc3c(=O)c(-c4ccc(OC)cc4)coc3c2C1 12442566 YGULABNYKHRPJF-UHFFFAOYSA-N 381.428 3.657 0 40 GHAB biogenic CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc1 666049 FVNZERDYLHYZEX-UHFFFAOYSA-N 398.887 3.737 0 40 GHAB CC(C)N(C[C@H]1CCCN([C@H](C)C(=O)NC(C)(C)C)C1)C(=O)OC(C)(C)C 106105270 MCXUXLDQVDDIOT-SJORKVTESA-N 383.577 3.647 0 40 GHAB C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 106153072 YOTKSCPMOUMAFU-DVOMOZLQSA-N 375.387 3.737 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(OC)cc4)no3)C2)cc1 1362821 NFWOLEULEPYFJD-KRWDZBQOSA-N 393.443 3.774 0 40 GHAB C[C@H](Oc1ccc(F)cc1Br)C(=O)NC[C@@H](C)c1ccncc1 79018590 MDUYDQRFCXSXDA-NEPJUHHUSA-N 381.245 3.670 0 40 GHAB C[C@@]12NC(=O)N[C@@H](c3cc(Cl)ccc3O1)[C@H]2C(=O)Nc1ccc(Cl)cc1 2962758 NJQDQVXNJCPJCB-RLFYNMQTSA-N 392.242 3.711 0 40 GHAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 25378635 VQIKNKKJXPFJIJ-GFCCVEGCSA-N 377.238 3.533 0 40 GHAB Cc1cccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)c1 1410959 SUUWBSXHXCBJFA-UHFFFAOYSA-N 380.469 3.829 0 40 GHAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N1CCN(C(=O)C2CC2)CC1 25589824 PFCHUOBYKAHMLK-CSKARUKUSA-N 384.476 3.648 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc(F)cc2Cl)nc(N2CCC(C)CC2)n1 44169210 UPIBMNFQYKPJTC-UHFFFAOYSA-N 392.862 3.831 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 8169447 YUMIYNUPYBYLPM-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB Cc1ccc(-n2ncc3c(N4CCN(c5ccc(F)cc5)CC4)ncnc32)cc1 8583005 RBACDXKYDXQITL-UHFFFAOYSA-N 388.450 3.590 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CCOc1ccccc1F 8852619 VNMGQAFGTMNKOY-CYBMUJFWSA-N 380.847 3.826 0 40 GHAB Cc1oc2cc3oc(=O)c(CCC(=O)NC[C@H]4CCCO4)c(C)c3cc2c1C 2095856 PAUKSRVEPWJXFV-OAHLLOKOSA-N 383.444 3.692 0 40 GHAB biogenic CC(=O)Nc1cc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)ccc1F 58178863 SQZOIEITRRTWCT-INIZCTEOSA-N 379.432 3.512 0 40 GHAB CC(C)[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 58158154 JDFSQLACKUZNMD-MJGOQNOKSA-N 386.448 3.691 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)c1ccc(F)cc1Br 10235172 YBHKSLXLPZBPNX-UHFFFAOYSA-N 388.240 3.763 0 40 GHAB O=C(C[C@H]1C(=O)Oc2ccccc2N1C(=O)c1cccs1)Nc1ccccc1 9926873 GVISOBVSSSSKKH-INIZCTEOSA-N 392.436 3.711 0 40 GHAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)CCc1ccccc1 28198528 FYVMNBACBIBIFV-PXNSSMCTSA-N 384.545 3.676 0 40 GHAB O=C(C1CCC1)N1C[C@@H]2CCC[C@@H](C1)C2n1nc(-c2ccccc2)ccc1=O 100726944 JHNVCALOFUHDFG-OALUTQOASA-N 377.488 3.510 0 40 GHAB O=C(CCSc1nnc(NC[C@@H]2CCCO2)s1)Nc1cccc(Cl)c1 36393192 UVZHMFSFTBYITR-ZDUSSCGKSA-N 398.941 3.903 0 40 GHAB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2C)c(Cl)c1 28628701 YTCOGRNLFILOST-UHFFFAOYSA-N 387.892 3.935 0 40 GHAB Cc1cccc(O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C 22528359 HTFQAQJAWMSLBN-KRWDZBQOSA-N 379.460 3.507 0 40 GHAB CCC(=O)NCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1C 2363517 WPRHTPOXWHHGDL-UHFFFAOYSA-N 384.867 3.548 0 40 GHAB C[C@H](OC(=O)c1c(Br)c2ccccc2n1C)C(=O)NC1CCCC1 46410557 AOLALSSTMZSQFY-NSHDSACASA-N 393.281 3.545 0 40 GHAB COCc1nn2c(O)cc(-c3n[nH]c4c3CCC4)nc2c1-c1ccc(Cl)cc1 100776324 APUVAFNFWAICAR-UHFFFAOYSA-N 395.850 3.781 0 40 GHAB Cc1nc2ccnn2c(C)c1CCC(=O)N(C)Cc1ccccc1N1CCCC1 48277054 NHURLGWSRUVYTH-UHFFFAOYSA-N 391.519 3.538 0 40 GHAB C/C=C/c1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc(OC)c1OC 12779282 XYYKOHUQHJRCRY-SNAWJCMRSA-N 380.444 3.881 0 40 GHAB O=c1c2cc(-c3ccccc3)sc2ncn1C[C@H](O)COCc1ccccc1 12788764 YQDPVQIQBVZHCL-SFHVURJKSA-N 392.480 3.703 0 40 GHAB C[C@@H]1CCCN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)C1 10541594 IODFXAXUKFZDPD-QVKFZJNVSA-N 384.501 3.926 0 40 GHAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)[nH]n1 100750235 PBUXOSXRSYECEW-LLGFUMIMSA-N 383.540 3.767 0 40 GHAB Cc1ccc(-c2nc(COC(=O)c3c(C)nn4c(C)cc(C)nc34)co2)cc1 62398000 TZXLOZLGZQOROS-UHFFFAOYSA-N 376.416 3.975 0 40 GHAB Cc1ccc(-n2c(S[C@@H](C)C(=O)NC(C)C)nnc2-c2ccccn2)c(C)c1 48355392 NYLWNPIOYVOVPV-INIZCTEOSA-N 395.532 3.951 0 40 GHAB CCCc1nnc(NC(=O)CCCc2nc(-c3ccccc3OC)no2)s1 95481906 TVGMRGJXRNNZJG-UHFFFAOYSA-N 387.465 3.511 0 40 GHAB Cc1noc(C)c1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12875113 JWFBHTPYCRPDRS-UHFFFAOYSA-N 389.761 3.674 0 40 GHAB CCOc1cc(Cl)c(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 408903338 RBKVWKPNGSQLCH-MFOYZWKCSA-N 386.860 3.518 0 40 GHAB Cn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1ccco1 3559173 COILYTSTBKWFDM-UHFFFAOYSA-N 384.280 3.874 0 40 GHAB COc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1Cc1ccccc1 12919765 RAHIEWMOWBALHV-UHFFFAOYSA-N 378.428 3.638 0 40 GHAB Cc1ccc(C)c(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(F)cc2)c1 9237712 LXYIODACSHQJCO-ZWKOTPCHSA-N 397.479 3.740 0 40 GHAB CC[C@@H](C)n1cc(I)c(COCCC(F)(F)F)n1 408717419 ZTOOIISUVDGFCK-MRVPVSSYSA-N 376.160 3.928 0 40 GHAB CC(C)[C@@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)N1Cc2ccccc2C1=O 95474795 VASLVICRJZXVLW-NRFANRHFSA-N 393.462 3.646 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccc(OC)cc2[nH]1 4252228 MGPFGBDAKYDVKC-UHFFFAOYSA-N 387.461 3.668 0 40 GHAB COc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)c2)c1 408672225 MLYRQXWQAIJZTK-XMCHAPAWSA-N 390.439 3.649 0 40 GHAB COc1ccc(-c2noc(Cc3nnc(-c4ccc(C)c(F)c4)o3)n2)cc1OC 65185535 OUFUGSXVUTUVDZ-UHFFFAOYSA-N 396.378 3.842 0 40 GHAB O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccc2c(c1)OCO2 4328314 HUHKHUNHOARFAF-UHFFFAOYSA-N 389.433 3.951 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(F)c(F)c1F 6544167 ZCXSXFQGCGWICI-UHFFFAOYSA-N 379.363 3.809 0 40 GHAB CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N(C)Cc1nc2ccccc2s1 66371417 MCXISGXLFOFWDP-SFHVURJKSA-N 395.528 3.782 0 40 GHAB CN(C)c1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1 4734049 BMONSXFXRNQBKY-UHFFFAOYSA-N 387.443 3.977 0 40 GHAB C[C@H](Sc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5999516 FEACIKOSTDBFDK-ZDUSSCGKSA-N 392.546 3.751 0 40 GHAB COc1ccc2nc(NC(=O)N(C)Cc3ccc4c(c3)OCCO4)sc2c1 83862672 HBTKEGHCUMTAGR-UHFFFAOYSA-N 385.445 3.740 0 40 GHAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 7652073 IDXGCYARDAUKSW-UHFFFAOYSA-N 386.517 3.741 0 40 GHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)C1 16016600 KBNDEXOPQAAJGD-ZDUSSCGKSA-N 394.443 3.638 0 40 GHAB O=C(Cn1cnc2sccc2c1=O)Nc1cccc(/C=C/c2ccccn2)c1 7987586 BJGSGMKDRGSJRI-BQYQJAHWSA-N 388.452 3.662 0 40 GHAB CCCn1c(=O)n(CCC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21 16699502 NPFIZYZMCHXDLP-UHFFFAOYSA-N 381.520 3.688 0 40 GHAB O=C(CN1CCCC1=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 8301357 BEVKZLRDCIZVKZ-KRWDZBQOSA-N 395.890 3.692 0 40 GHAB O=C(CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(=O)NC1CCCC1 8428671 NIGKLCUSIYFSQY-UHFFFAOYSA-N 397.319 3.905 0 40 GHAB Cc1cc(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nc(C(C)C)n1 8775252 RNGDKAOOFGAEEX-ZDUSSCGKSA-N 393.534 3.643 0 40 GHAB Cc1ccc(-c2ccc(=O)n(C[C@@H](O)c3ccc(OC(F)F)cc3)n2)s1 84205757 HPVGMIRKNCIMGS-OAHLLOKOSA-N 378.400 3.615 0 40 GHAB Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3ccc(F)cc3)s2)CC1=O 9199525 XEBPMZNPXQJZPZ-AWEZNQCLSA-N 396.447 3.758 0 40 GHAB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNc1nncn1C 97143609 LHXTUHSBNHSDKK-UHFFFAOYSA-N 378.411 3.853 0 40 GHAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 29823939 PWIYKWDALKMOHA-PBWFPOADSA-N 375.419 3.785 0 40 GHAB CC(C)N(Cc1ccccc1)c1ncc(C(=O)NCc2ccccc2F)c(N)n1 67336647 LUMHNFQQUSTCHC-UHFFFAOYSA-N 393.466 3.543 0 40 GHAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccco2)c1 29501843 KVYKDOORPQJEGK-UHFFFAOYSA-N 398.484 3.969 0 40 GHAB Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1 408628314 WPBGXTLEFBRWHW-UHFFFAOYSA-N 378.453 3.809 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2c(C)nc(SC)nc2C)c1 8356815 HIZJMBNQUQKPGV-CQSZACIVSA-N 389.521 3.643 0 40 GHAB O=C(NC1CCN(Cc2ccccc2)CC1)C1(c2ccccc2)CCOCC1 32655388 SNSYTYMPZASMKY-UHFFFAOYSA-N 378.516 3.516 0 40 GHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC12CC3CC(CC(C3)C1)C2 36022304 XLUZWTSNZVRJNA-JRUMVTRASA-N 390.474 3.804 0 40 GHAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)NC(C)C 408700490 GVSNQMWSCPSDQE-UHFFFAOYSA-N 390.505 3.641 0 40 GHAB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O 409242777 YGRNBUKVGXARPT-NTUHNPAUSA-N 379.199 3.805 0 40 GHAB COc1ccc(NC(=O)CSc2nnc3c4cc(C)ccc4n(C)c3n2)cc1 35313014 DKPOVTORWISSQC-UHFFFAOYSA-N 393.472 3.564 0 40 GHAB CCc1ccc(-c2[nH]ncc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 72329185 WZRQJRWKDDKVPY-UHFFFAOYSA-N 379.460 3.629 0 40 GHAB CC1(C)C[C@H]2C[C@](C)(CN2[C@@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)C1 217936683 WYDWXCJGDBTDEX-BANJIEJESA-N 384.476 3.752 0 40 GHAB COc1ccc(Oc2cc(C)nc([C@H]3CCCN3C(=O)c3coc(C)n3)n2)cc1 72384496 VPRRHDPVAPIFRM-GOSISDBHSA-N 394.431 3.860 0 40 GHAB CCOc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 72393205 LOUJEJPEDPEJNE-GOSISDBHSA-N 390.487 3.610 0 40 GHAB Cc1cc(Oc2ccccc2)nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)n1 72384299 QOIORCVVDHAJIO-GOSISDBHSA-N 377.448 3.678 0 40 GHAB COc1cc(CN2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)ccc1O 72396689 NIJSYJOFGQYANM-AWEZNQCLSA-N 386.477 3.595 0 40 GHAB CCc1ccc(OCCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 224531411 QFONKWJIZMYPLS-UHFFFAOYSA-N 380.532 3.965 0 40 GHAB CCCC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C 225136155 PPKHRPMOVMYSDE-QFIPXVFZSA-N 396.531 3.960 0 40 GHAB Cc1nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)[nH]c(=O)c1C 44168994 XQHFUZGRCKRTBG-UHFFFAOYSA-N 382.367 3.748 0 40 GHAB Oc1cccc(CN2CCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)c1 225221031 TZJXYFFFULQYIW-UHFFFAOYSA-N 379.888 3.699 0 40 GHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(OC)c(OC)c1OC 222992187 MOUIBKKADQOLAN-GOSISDBHSA-N 387.476 3.803 0 40 GHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(-n2ccnc2)cc1 225118470 OOMSUTWXEHQUMH-QGZVFWFLSA-N 375.472 3.835 0 40 GHAB CCC[C@@H](C)NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 225985151 SLDWSAQSHUFNGZ-QGZVFWFLSA-N 388.533 3.667 0 40 GHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1ccncc1 222727380 NUKHCDKXXFIZAB-PMACEKPBSA-N 377.517 3.546 0 40 GHAB NC(=O)c1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1 226343983 MRHXDLQXRHOUCU-UHFFFAOYSA-N 395.054 3.854 0 40 GHAB CCc1cccc(C)c1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222496300 TVQKKENJEOEBOL-UHFFFAOYSA-N 380.897 3.859 0 40 GHAB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)NC1CCCCC1 225758577 PDHJLXMCDPNALZ-UHFFFAOYSA-N 393.285 3.973 0 40 GHAB COc1cccc(NC(=O)c2cc3c(c4ccccc4n3C)n2C(=O)N(C)C)c1 96146311 FCDPSHYBUCSSDN-UHFFFAOYSA-N 390.443 3.924 0 40 GHAB CCOC(=O)[C@]12CCCN(Cc3ccc(F)cc3)C[C@H]1CN(CC(C)C)C2 96055931 KHRXKJQTUNRRIZ-UGKGYDQZSA-N 376.516 3.559 0 40 GHAB CC[C@@](Br)([C@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96521475 ZYXXBBAUPFPORE-SJORKVTESA-N 383.307 3.933 0 40 GHAB NC(=O)c1cccc2c1CCCN2C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 97392571 XHHLGXWZKTVDLR-CVEARBPZSA-N 388.389 3.887 0 40 GHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1OC 243391551 MMOZHJLTAIFVLZ-UHFFFAOYSA-N 396.487 3.812 0 40 GHAB CNc1ncccc1CN1CC[C@H](Cc2cccc(-c3c(C)noc3C)n2)C1 257251388 JQNLALNZGLVLFM-QGZVFWFLSA-N 377.492 3.855 0 40 GHAB Cc1cccnc1C(=O)N1CCC[C@H]1CCc1cncc(-c2c(C)noc2C)n1 257340461 ZGFWJCIXCLIDIQ-SFHVURJKSA-N 391.475 3.689 0 40 GHAB CCCc1c(NC(=O)N2CC[C@H](C(=O)O)[C@@H](C)C2)cnn1-c1cccc(C)c1 630569486 YSYHRBKWESLGEW-RDJZCZTQSA-N 384.480 3.708 0 40 GHAB Cc1cnn(CCC(=O)N2CC(C)(C)Oc3cc(Br)ccc32)c1 622986579 CWRBFEGJEDAYCE-UHFFFAOYSA-N 378.270 3.548 0 40 GHAB CCO[C@H](C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)C1CC1 623677857 DOXBVVAGIAULGI-GOTSBHOMSA-N 395.499 3.993 0 40 GHAB O=C(NCC1([C@@H]2CCCCO2)CCC1)c1cc2c(cc1Br)OCO2 630091720 VXSNPDATJQNOEA-INIZCTEOSA-N 396.281 3.647 0 40 GHAB COc1ccc2c(c1)[C@@H](NC(=O)c1cc(C)n(CC(F)(F)F)c1C)CCO2 681009528 YVJJZYKUCIQVKD-INIZCTEOSA-N 382.382 3.929 0 40 GHAB CCN(CC)CC(C)(C)CN1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21 19712603 WPRMKAWUYLMKIB-XJUOHMSHSA-N 385.596 3.881 0 40 GHAB c1ccc2c(c1)NC1(CCN(Cc3ccc4ncccc4c3)CC1)N1CCN=C21 72327128 FAAMOZZOTXJEJP-UHFFFAOYSA-N 383.499 3.715 0 40 GHAB COc1ccc(-c2csc3ncnc(N[C@H](C)CC[S@](C)=O)c23)cc1 78967818 MKUVHVCMIPRGCB-XELLLNAOSA-N 375.519 3.936 0 40 GHAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3F)=NN12 5092076 ALQSIGCXTWIVED-FQEVSTJZSA-N 379.435 3.708 0 40 GHAB O=C(CC1CCCCC1)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O 12182801 YPMLLOGZPUCYDP-QGZVFWFLSA-N 385.533 3.933 0 40 GHAB CN(CCNC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 12611918 LPBVNSMBVHZXRX-UHFFFAOYSA-N 397.700 3.734 0 40 GHAB Cc1cccc(O[C@H](C)c2nnc(NC(=O)[C@@H]3CN4CCC3CC4)s2)c1C 19235679 XPZRZGNRYNRLQG-GDBMZVCRSA-N 386.521 3.575 0 40 GHAB Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)N[C@H]1CCOc2ccccc21 19356689 WDKSYJGMKOQXNG-IBGZPJMESA-N 390.439 3.648 0 40 GHAB CC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)C1 19706557 SOLTWIOLMKCPSE-FQEVSTJZSA-N 378.520 3.506 0 40 GHAB CCOc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)ccc1Br 19909575 JOCMNLXJAZUTEA-FZMZJTMJSA-N 376.316 3.705 0 40 GHAB Cc1cc(O[C@H]2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)cc(=O)o1 206967418 ZQKPTVDHKGCUFD-AWEZNQCLSA-N 382.338 3.652 0 40 GHAB C[C@H]1C(c2ccc(F)cc2)=[N+]([O-])[C@](C)(c2ccc(Br)cc2)N1O 4146247 RSIWYZBLPTWFQO-APPDUMDISA-N 379.229 3.854 0 40 GHAB CC(C)N1CC[C@@H](N2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)C1=O 1888876158 TYLKJCKEXDLCIK-RHSMWYFYSA-N 388.512 3.533 0 40 GHAB O=C(c1cnccn1)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1889024324 WOIIDBANNCPOMP-UHFFFAOYSA-N 396.454 3.502 0 40 GHAB COc1ccc2c(COC(=O)Cc3cccc4cccnc34)cc(=O)oc2c1 14151351 GIABJJJRZAOHQO-UHFFFAOYSA-N 375.380 3.636 0 40 GHAB COc1cc(C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccccc1Cl 15934607 XOBQIEUVOJIPRK-INIZCTEOSA-N 375.852 3.836 0 40 GHAB Cc1ccc([C@H](NC(=O)CN(C)C(=O)c2ccco2)c2ccccc2)cc1C 25032752 OXFBWZTYYUIERO-JOCHJYFZSA-N 376.456 3.874 0 40 GHAB O=C(Nc1c(F)cccc1F)N1CC[C@H](Oc2ccc(Br)cn2)C1 238951623 XAXUUXPTXPVLPU-NSHDSACASA-N 398.207 3.808 0 40 GHAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC(C)(C)c2ccsc2)cc1 1565519405 QWQAVQYFLXYUOX-UHFFFAOYSA-N 380.535 3.599 0 40 GHAB Cc1sc(NC(=O)CSCC(=O)N2CCCCC2)nc1-c1ccccc1 2723405 NROOLCYPBZCFAJ-UHFFFAOYSA-N 389.546 3.803 0 40 GHAB COc1cccc(C(=O)CSc2ccc(NC(=O)c3cccs3)nn2)c1 11739507 WGCKNQCHMKDPDD-UHFFFAOYSA-N 385.470 3.774 0 40 GHAB O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(NCc2ccc(F)cc2)nn1 16843364 LBKKYIAEMCXKCI-UHFFFAOYSA-N 391.855 3.855 0 40 GHAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2cccc(Cl)c2)C1 2055750750 VSJZMOLLOOEDNR-OAQYLSRUSA-N 385.895 3.515 0 40 GHAB CN1CCN([C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)c2ccsc2)CC1 22765531 SNNBVFSSPPFTGD-KRWDZBQOSA-N 398.359 3.773 0 40 GHAB COc1ccc2cc(C(=O)N3Cc4ccccc4[C@H](c4cnn(C)c4)C3)[nH]c2c1 575621117 XYNLQDZDZURKAC-FQEVSTJZSA-N 386.455 3.698 0 40 GHAB Cc1nc(N)ncc1C(=O)N1CCC(CCc2ccccc2C(F)(F)F)CC1 12240347 MIDKROWOMXTMPD-UHFFFAOYSA-N 392.425 3.871 0 40 GHAB C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)c1ncnc2c1cnn2C 40067582 FDXLDTNHYRICHI-HNNXBMFYSA-N 383.459 3.900 0 40 GHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)N[C@H](C)c1ccccc1F 40067825 PYRBHTTVWUDIQB-KGLIPLIRSA-N 378.469 3.693 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364453 QWYMCHSKQLSUIK-QGZVFWFLSA-N 390.439 3.862 0 40 GHAB O=C(Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCSCC3)c2c1)c1ccccc1 32069745 AFFYTMZIPBFQTJ-IBGZPJMESA-N 395.484 3.595 0 40 GHAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 32796586 TYXZPMIUBXPTQR-LBPRGKRZSA-N 383.416 3.525 0 40 GHAB CC(C)c1cc(C(=O)OCc2nnsc2Cl)c2cnn(C(C)C)c2n1 21605195 KIEICDUYSYEOGX-UHFFFAOYSA-N 379.873 3.998 0 40 GHAB CCOc1ccc([C@H]2CCCN2CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 52584169 ZWNTVOZAMRLSTL-COFLGROHSA-N 385.508 3.680 0 40 GHAB O=C(NCc1csc(Br)c1)c1cncc(Br)c1 32923017 IESABCZVQFKMHT-UHFFFAOYSA-N 376.073 3.598 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)Oc2ccccc2C(F)(F)F)cc1 21870885 AFEGESRAFMAFOP-UHFFFAOYSA-N 385.363 3.600 0 40 GHAB Brc1cccc(-c2nc(-c3[nH]ncc3NCc3ccncc3)n[nH]2)c1 33829720 GUMPZSAIENZEHX-UHFFFAOYSA-N 396.252 3.631 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 105117899 UVUZUUSVNRUEJB-NEPXVJNWSA-N 392.565 3.721 0 40 GHAB COc1ccccc1CNC(=O)/C=C/c1cc2c(cc1Br)OCO2 1399016 PZJKGXRRMVXNPE-VOTSOKGWSA-N 390.233 3.516 0 40 GHAB CC(C)OC(=O)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 1903723 DKNFLHXYERIJJZ-UHFFFAOYSA-N 398.846 3.683 0 40 GHAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(OCC)c(OCC)c1 3235547 BKONEBKFAKFHRT-UHFFFAOYSA-N 387.432 3.678 0 40 GHAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(=O)n(Cc2ccccc2)n1 3322220 KLEPSNCTEIDGDF-UHFFFAOYSA-N 395.462 3.811 0 40 GHAB COc1cc(OC)c(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1OC 3446272 XFKNJXMJWWUNLB-UHFFFAOYSA-N 387.432 3.631 0 40 GHAB COc1ccc(CN(C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 3585574 MUSWFCDARGADGM-UHFFFAOYSA-N 382.382 3.793 0 40 GHAB FC(F)(F)C1(C(F)(F)F)N=C(c2ccncc2)OC(N2CCCCC2)=N1 3671764 SGGCMUVIKDOKIS-UHFFFAOYSA-N 380.292 3.521 0 40 GHAB CCOC(=O)COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 4340006 AKDHJNNJVCZYDS-UHFFFAOYSA-N 392.363 3.508 0 40 GHAB biogenic CC(C)c1ccc(N(C(=O)[C@H](C)Oc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 5081130 FOEMJUWCYGOTSH-FXAWDEMLSA-N 399.512 3.921 0 40 GHAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)c(C)c1 5153771 JRIISYBMFGTKNG-OAHLLOKOSA-N 384.501 3.809 0 40 GHAB Cc1ccccc1-n1c(S[C@H]2CCOC2=O)nc2cc(Cl)ccc2c1=O 5212519 DRBNNXXAMUCORS-INIZCTEOSA-N 386.860 3.755 0 40 GHAB COc1cc(C)c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1OC 5243894 KAPAWSUHVYCANP-UHFFFAOYSA-N 388.489 3.565 0 40 GHAB Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1N1CCCCS1(=O)=O 5439519 OZAIQPCXMLCISO-UHFFFAOYSA-N 378.881 3.831 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1 5999270 FFBSHMHPCTYEIU-SMDDNHRTSA-N 394.928 3.921 0 40 GHAB CC(C)NC(=O)NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 6508319 DYPDMXYXMIESCZ-UHFFFAOYSA-N 386.502 3.685 0 40 GHAB CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 7928825 NDBVHSBRGPRTPC-CQSZACIVSA-N 388.261 3.970 0 40 GHAB Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)c1 8417610 PTGUTIXTJMNXKQ-SFHVURJKSA-N 396.487 3.833 0 40 GHAB CC(C)OCCCn1c(SCC(=O)c2ccc[nH]2)nc2ccccc2c1=O 8719244 LZDOEJWEDFCRBL-UHFFFAOYSA-N 385.489 3.515 0 40 GHAB COc1ccc2c(CC(=O)Nc3ccc(C(=O)c4nccn4C)cc3)coc2c1 9115225 BCGUOIGYGZGFNH-UHFFFAOYSA-N 389.411 3.587 0 40 GHAB COc1ccc(CC(=O)Nc2nnc(-c3cc4cccc(OC)c4o3)o2)cc1 9167820 NYUPSSXPOAXHEZ-UHFFFAOYSA-N 379.372 3.681 0 40 GHAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cccc(OCc2ccc(F)cc2)c1 9447960 RLAXNIDBALEALO-UHFFFAOYSA-N 389.390 3.837 0 40 GHAB O=c1nc(SCc2cccc3ccccc23)c2c(n1CCCO)CCCC2 10275738 RRJPFCNAGGODNF-UHFFFAOYSA-N 380.513 3.950 0 40 GHAB O=C(Nc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)C1CC1 10669965 DCOZRZDSCRVJEW-UHFFFAOYSA-N 399.299 3.820 0 40 GHAB O=C(NCCNc1ccc(Nc2ccncc2)nn1)Nc1ccc(Cl)cc1 11697816 OQZFWQKVVKEDGR-UHFFFAOYSA-N 383.843 3.502 0 40 GHAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(OCc2noc(C)n2)cc1 11752969 GBRBHGJLZUNSOY-UHFFFAOYSA-N 396.399 3.525 0 40 GHAB CCCOc1ccc(-c2nonc2NC(=O)c2cc3ccccc3oc2=O)cc1 12062637 ZASUTBKTZLJDOB-UHFFFAOYSA-N 391.383 3.884 0 40 GHAB O=C(CC1CCCCC1)N1CCC(c2nc(O)cc(-c3cccnc3)n2)CC1 12234374 XWPGJIAZABVKRU-UHFFFAOYSA-N 380.492 3.921 0 40 GHAB Cc1cccc(CN2CCN(c3c(F)cccc3[C@H](O)c3ccccn3)CC2)c1 12337167 CDXVUAMWGHTTIA-DEOSSOPVSA-N 391.490 3.933 0 40 GHAB CCOc1ccc(-c2nnc(S)n2CC(=O)N(C)[C@H](C)c2ccccc2)cc1 12750635 YFPUXXZMTYDGRV-OAHLLOKOSA-N 396.516 3.852 0 40 GHAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 12768704 GBUFIDPZJSLDJO-OAQYLSRUSA-N 393.487 3.778 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)CN1CCC[C@H]1c1ccc(F)cc1)OCO2 12809780 HPOVJPAXSRPMGB-SFHVURJKSA-N 384.407 3.533 0 40 GHAB Cc1cc(C)c(-c2csc(NC(=O)c3cccc(-n4cnnn4)c3)n2)c(C)c1 12814437 JQJLBFCORSQBCP-UHFFFAOYSA-N 390.472 3.963 0 40 GHAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)NCc1ccccc1 12906446 MVSRYZSKWGOXPW-UHFFFAOYSA-N 399.512 3.867 0 40 GHAB COc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Cl 12999537 OPELTMVQWZFOCF-ZSOIEALJSA-N 377.252 3.772 0 40 GHAB CC(C)c1ccc(-c2nc(C(=O)N3CCN(c4ncccn4)CC3)cs2)cc1 13011792 MQDMMEPJPLTISG-UHFFFAOYSA-N 393.516 3.686 0 40 GHAB O=C(CSc1c(Cl)cccc1Cl)N1CCN(c2ccccn2)CC1 13096521 RZQUQMKIQUSXBZ-UHFFFAOYSA-N 382.316 3.829 0 40 GHAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)c3cccnc3)cc2)n1 13228162 OHNWPDLVILZELZ-UHFFFAOYSA-N 381.439 3.839 0 40 GHAB CC(C)N(C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 13683324 COLFUQXCTZSQQW-UHFFFAOYSA-N 377.535 3.549 0 40 GHAB CCN(CC)C(=O)C(=O)c1cn(CCOc2ccc(F)cc2)c2ccccc12 14136070 WZNIKDSLWLTHLU-UHFFFAOYSA-N 382.435 3.911 0 40 GHAB O=C(c1cn(Cc2ccccc2Cl)nc1-c1ccccc1)N1CCOCC1 14187160 SOEOWSVHZNQWQG-UHFFFAOYSA-N 381.863 3.724 0 40 GHAB CCN1CCC[C@H]1Cn1c(C)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1N 15080876 QLLWJKFVKNKSOY-INIZCTEOSA-N 395.956 3.658 0 40 GHAB CCOc1ccc(NC(=S)N2CCC(NC(=O)c3ccccc3C)CC2)cc1 15936115 GOJZMSVVPIOWJU-UHFFFAOYSA-N 397.544 3.985 0 40 GHAB Cc1cc(C)n(CCCC(=O)N2CCC(CCc3ccccc3F)CC2)c(=O)n1 19572557 FWHOWUBBUUTLQI-UHFFFAOYSA-N 399.510 3.651 0 40 GHAB Cc1noc(C)c1COc1ccc(CN2CC[C@@H]3NC(=O)CCCC[C@H]32)cc1 19713224 VTVLDORICKSNLV-LEWJYISDSA-N 383.492 3.504 0 40 GHAB COc1ccc(Br)cc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 19831582 FRJUIIYCYYSTGB-IXDOHACOSA-N 391.353 3.788 0 40 GHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc(F)c(Cl)cc1Cl 22185962 NPPWMQLPPPHMLG-UHFFFAOYSA-N 386.235 3.703 0 40 GHAB COc1cc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc2c1OCCO2 23531811 QRGQNOPMAWJSFK-UHFFFAOYSA-N 381.350 3.757 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Sc1ccccc1 24019105 JOZFXSMHYYSXFN-GFCCVEGCSA-N 375.446 3.610 0 40 GHAB COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccnc2OC)cc1 24776634 WDMDAZNESNBUCL-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 26116507 CBLDGHZMDJZTDF-CQSZACIVSA-N 384.567 3.502 0 40 GHAB COc1ccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c(OC)c1 26677070 SUVHWTSGYCNYIX-MRXNPFEDSA-N 392.864 3.799 0 40 GHAB Cc1cc(S(=O)(=O)Nc2nnc(Nc3ccccc3)[nH]2)c(S)cc1Cl 27312510 MOGUXFMGDHBSDL-UHFFFAOYSA-N 395.897 3.600 0 40 GHAB Cc1ccccc1CN1CCCN(C(=O)Cc2csc(-c3ccco3)n2)CC1 31765411 NIPVIBMSVDMZOJ-UHFFFAOYSA-N 395.528 3.989 0 40 GHAB CS(=O)(=O)Nc1cccc(NC(=O)CCc2cccc(Cl)c2Cl)c1 32636954 RIGOMQRFSLMBTE-UHFFFAOYSA-N 387.288 3.936 0 40 GHAB CN(C)c1cccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 32716858 VEUQDWOUQFDJGA-UHFFFAOYSA-N 391.437 3.729 0 40 GHAB COc1cc(CN(C)c2cn[nH]c(=O)c2Cl)ccc1OCc1ccccc1 32808510 LGVQQTITNOLLNS-UHFFFAOYSA-N 385.851 3.647 0 40 GHAB Cc1ccc(C(N)=O)c(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1 32866083 IHMSDPPXOJGTIP-UHFFFAOYSA-N 398.846 3.703 0 40 GHAB COc1cc(CNC(=O)Cc2ccccc2Cl)ccc1OC[C@H]1CCCO1 32930380 BXJPSWQUCLVHEN-QGZVFWFLSA-N 389.879 3.765 0 40 GHAB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(C)c(Br)c2)cc1 33629193 MSZCPKOZLTYDTC-UHFFFAOYSA-N 391.217 3.723 0 40 GHAB CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCC(C)CC2)C1 35373560 ASJVNAHOPPBGKW-QGZVFWFLSA-N 382.508 3.503 0 40 GHAB COc1ccc(NC(=O)[C@H](C)Sc2nncs2)cc1OC1CCCC1 36397081 OAGNNHZCEXPRDM-NSHDSACASA-N 379.507 3.987 0 40 GHAB CC(C)CCC[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 36745059 KFYFTHKYGNWVPT-UZUQRXQVSA-N 399.535 3.707 0 40 GHAB CSc1ccc(C(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 39546913 NHEXKZLNFTVLNC-KRWDZBQOSA-N 387.482 3.638 0 40 GHAB CCN(C[C@H]1COc2ccccc2O1)C(=O)/C=C/c1ccc(OC(F)F)cc1 40159587 LIZOZNKYJQBSNC-KQPPXVQYSA-N 389.398 3.990 0 40 GHAB Cc1oc(C(=O)Nc2cccc3c2CCCC3)cc1S(=O)(=O)N1CCCC1 42201189 BWSJPASJLFPDIL-UHFFFAOYSA-N 388.489 3.504 0 40 GHAB CS(=O)(=O)Nc1cccc2c1CCCN2Cc1ncc(-c2ccccc2)o1 42742134 ZKFOCRDKACLEFW-UHFFFAOYSA-N 383.473 3.666 0 40 GHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)on1 46316420 QWVBRWHZUTVSBQ-MRVPVSSYSA-N 382.203 3.955 0 40 GHAB Cn1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1=O 48374519 PLKIBGBJRFVBJQ-KRWDZBQOSA-N 394.302 3.685 0 40 GHAB COc1ccc(C(=O)Oc2ccc([C@@H]3CC(O)=Nc4c3cnn4C)cc2)cc1 49548806 YHWYWOINUHBDTO-KRWDZBQOSA-N 377.400 3.772 0 40 GHAB COc1ccc(CCNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1OC 57413567 NHDUXPUKCMOKFR-UHFFFAOYSA-N 385.851 3.720 0 40 GHAB CCCn1c(SCC(=O)Nc2cc(F)cc(F)c2)nc2ccsc2c1=O 57425325 WNPQNDYRPPTLMO-UHFFFAOYSA-N 395.456 3.877 0 40 GHAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1C 57528153 HAUBOHLMNUXYRB-UHFFFAOYSA-N 399.853 3.636 0 40 GHAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2ccccc2O)CC1 58450336 YHWOKQIWJLDMMN-ZDUSSCGKSA-N 394.302 3.848 0 40 GHAB O=C(NC[C@H]1COc2ccccc2C1)[C@H]1CCCCN1Cc1ccc(F)cc1 72310105 LYJFSOHTXIRWNJ-GHTZIAJQSA-N 382.479 3.548 0 40 GHAB CCn1cc(CN2CCC[C@@H](c3nccnc3Oc3cccnc3C)C2)cn1 72384328 JAYIYXZRBGVGGB-GOSISDBHSA-N 378.480 3.568 0 40 GHAB COc1ccccc1-c1ccc(C2(CNC(=O)CCn3ccnc3)CC2)cc1 72391841 ODGFRIBTWLPCEN-UHFFFAOYSA-N 375.472 3.797 0 40 GHAB O=C(N1CCCSC[C@@H]1CN1CCCC1)C1(c2cccs2)CCCC1 79669221 QZWKRMXIXUSBAK-KRWDZBQOSA-N 378.607 3.990 0 40 GHAB C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)NCc1cccc(C(N)=O)c1 84637165 PZRPSKIVPJAHME-VQIMIIECSA-N 389.540 3.833 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)N1CCC(CSCc2ccco2)CC1 90608425 NZCTZXCDIOMGFY-UHFFFAOYSA-N 399.509 3.761 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)[C@H](O)Cc2ccccc2)c1 95431420 XIYJQVFUXOUDOY-KSFYIVLOSA-N 394.471 3.592 0 40 GHAB Cc1nc(CNC(=O)c2ccc(COc3ccccc3)cc2)ccc1[C@@H](C)O 95456477 RXOZPDHXQPFYDN-QGZVFWFLSA-N 376.456 3.952 0 40 GHAB Cc1nc(CCC(=O)O[C@@H]2CCOC2)oc1-c1ccc(Br)cc1 95951143 DGKSWHPSWABIMK-CQSZACIVSA-N 380.238 3.677 0 40 GHAB O=C1OCC[C@H]2CCN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)[C@@H]12 97022177 HHBQMZPKNJQMCA-FZKQIMNGSA-N 383.879 3.818 0 40 GHAB Cc1ccc([C@@](O)(Cc2nc(-c3ccc4c(c3)CCO4)no2)C(F)(F)F)o1 97102712 AJTWOZUJRJAGHJ-KRWDZBQOSA-N 380.322 3.566 0 40 GHAB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@@H](c1ccc3ccccc3n1)N1CCC[C@H]21 100194914 RKOONEMLJYTHIL-GXRSIYKFSA-N 383.451 3.560 0 40 GHAB CC(=O)Nc1ccc(C(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@H]3C2(C)C)cc1 100476966 KCQBABKFYXVBHT-QVKFZJNVSA-N 396.516 3.980 0 40 GHAB Cc1ccccc1NC(=O)[C@H]1C(=O)N[C@]23CCCC[C@H]2[C@@H]1c1ccccc1O3 105367568 SJGLYUNTUZHSCL-ZPDADZDASA-N 376.456 3.742 0 40 GHAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCOCC2)cc1 110229467 FVBWHYBLMUMPJK-UHFFFAOYSA-N 382.504 3.622 0 40 GHAB Cc1c(Cl)cccc1N(CCCC(=O)Nc1cccc(F)c1)S(C)(=O)=O 113966161 BVVWEJFHUNJWTO-UHFFFAOYSA-N 398.887 3.972 0 40 GHAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 170591462 FZJBDLOPMUTLQL-ACRUOGEOSA-N 388.398 3.877 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C(C)C 193442513 ZYCZZANHZSUABT-UHFFFAOYSA-N 390.505 3.630 0 40 GHAB O=C(CCc1ccc2c(c1)OCCO2)NCCSCc1ccccc1F 222642556 KZDYWMBPPFVCOU-UHFFFAOYSA-N 375.465 3.579 0 40 GHAB C[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)CCCC2 222905827 UWSUQMHASAPYQL-GOSISDBHSA-N 378.516 3.889 0 40 GHAB Cc1ccccc1-c1noc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)n1 223586684 FBPUKPGHWULWFF-UHFFFAOYSA-N 398.271 3.830 0 40 GHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(Cc2ccccc2)CC1 224299782 UXRRMTVSYUACBA-IBGZPJMESA-N 378.516 3.677 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCC(C)C)c2)cc1 224338300 OTDPIXUOFNKDGF-UHFFFAOYSA-N 394.924 3.859 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1 225094925 BUOCIPOBMBQMOJ-QFIPXVFZSA-N 396.531 3.961 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225144191 YAZZILWYTKETEP-UHFFFAOYSA-N 392.502 3.843 0 40 GHAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)OCCO2 225399699 ADYSPDVOSBPBQH-UHFFFAOYSA-N 388.423 3.640 0 40 GHAB COc1ccc(C2(NC(=S)Nc3ncccc3OC)CCCC2)cc1OC 225875339 JODGUTXLNXQZLI-UHFFFAOYSA-N 387.505 3.863 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NC[C@H](c1ccco1)N1CCSCC1 253402443 OJBFMGLXGRRFJV-IWAYRVGRSA-N 376.909 3.853 0 40 GHAB Cc1cc(C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3ccncc3)CC2)on1 257256020 KJTRPZHHEWEEDB-SAABIXHNSA-N 391.475 3.847 0 40 GHAB CC(C)c1ccc(CNC(=O)C(=O)Nc2cccc(Br)c2)cc1 408706662 CBPFBSVTBZAVCD-UHFFFAOYSA-N 375.266 3.827 0 40 GHAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1 408802987 JZMNATAXNIOOQJ-UHFFFAOYSA-N 389.840 3.840 0 40 GHAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 408908709 YDIVTDXTZWDYOJ-UHFFFAOYSA-N 380.469 3.977 0 40 GHAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(C)c3ccccc3)[C@H]2C1=O 409370462 RFRFLAWLLIAAQU-YHDSQAASSA-N 399.446 3.868 0 40 GHAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Cc1nnc(O)c2ccccc12 535926921 BLLKTXQJOJXJKJ-CYBMUJFWSA-N 384.505 3.986 0 40 GHAB COc1ccc([C@@H](C)Cc2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 546427523 WOLYAWGUNDLFHC-RDJZCZTQSA-N 377.444 3.945 0 40 GHAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(n2cc(C3CC3)nn2)C1 575617131 ZNJVXQJAYYSCSK-UHFFFAOYSA-N 378.407 3.784 0 40 GHAB Cn1ncc(C2CCC2)c1C(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 585107092 RWXPHIYSWLLPCP-AWEZNQCLSA-N 382.439 3.988 0 40 GHAB O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cnc2n1CCCCC2 622121358 ADWHXAAUGFJGCM-HZPDHXFCSA-N 377.492 3.942 0 40 GHAB Clc1cc(Cl)cc(-c2nc(CN3CCN(C[C@H]4CCOC4)CC3)co2)c1 625216110 DHXZMEBCZRGFFT-CQSZACIVSA-N 396.318 3.803 0 40 GHAB CN1CCC(n2cc(NC(=O)c3cc(C4CC4)nc4ccc(F)cc34)cn2)CC1 634091582 LFFPZQXSFVHZFL-UHFFFAOYSA-N 393.466 3.967 0 40 GHAB O=C(NC1CC1)c1ccc(CN=c2ccc(Br)c(C3CC3)[nH]2)cc1 651171770 HAJDVTWUDRQWSO-UHFFFAOYSA-N 386.293 3.648 0 40 GHAB C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 669188348 UFZJCWZCTPPVLX-GFCCVEGCSA-N 389.377 3.891 0 40 GHAB CC(C)[C@H]1c2ccccc2CCN1C(=O)CCn1cnc2ccccc2c1=O 675677896 AGYMNXSLLQULPB-QFIPXVFZSA-N 375.472 3.569 0 40 GHAB C[C@H](c1ccccc1)n1ccc(NC(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)n1 682101992 WFBOKNMSXJKXDE-QAPCUYQASA-N 389.459 3.740 0 40 GHAB C[C@H](c1ccccc1)[C@H](O)CNC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1 1633802975 IJABWWYVTCILAH-SJKOYZFVSA-N 392.377 3.961 0 40 GHAB O=C(COc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 803525 QUEBNKNJHAUNBM-UHFFFAOYSA-N 380.366 3.560 0 40 GHAB CC[C@H](C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc12 883738 XDQGYDJSOKEQKX-NSHDSACASA-N 392.381 3.952 0 40 GHAB O=C(O)COc1ccc(Cl)cc1Cc1cc(Cl)ccc1OCC(=O)O 1667532 SJTYWYNVLFFTSD-UHFFFAOYSA-N 385.199 3.511 0 40 GHAB CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2ccco2)CC1 79323761 VMCPPUTVGCDOMO-UHFFFAOYSA-N 380.897 3.895 0 40 GHAB COc1cc2ccccc2cc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3597918 WPWCSYLAMVLYCF-UHFFFAOYSA-N 387.439 3.899 0 40 GHAB CCOc1cc(C=O)cc(Br)c1OC(=O)c1ccc(OC)cc1 1439474 OEIFRGFOOLGTCL-UHFFFAOYSA-N 379.206 3.888 0 40 GHAB CN(CCCC(=O)N1CCC[C@@H]1c1cccs1)S(=O)(=O)c1cccs1 25406947 FPWFAOLVKNYJRH-CQSZACIVSA-N 398.575 3.574 0 40 GHAB O=S(=O)(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc(F)cc(F)c1 12584279 PZYKAEOBDWAVOD-UHFFFAOYSA-N 395.456 3.976 0 40 GHAB CN1CCN(c2c3c(nc4cc(-c5ccc(Cl)cc5)nn24)CCCC3)CC1 4980658 ORWAODNCLAZUOX-UHFFFAOYSA-N 381.911 3.680 0 40 GHAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc2c(c1)OCO2 6615764 MONWDSMSDFNPRY-UHFFFAOYSA-N 383.473 3.532 0 40 GHAB Cc1ccc(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C 7536388 WLKVHNGKTDJXTG-UHFFFAOYSA-N 377.531 3.617 0 40 GHAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccccc1C 7939849 FVVNXMWPZGHFAC-UHFFFAOYSA-N 382.460 3.848 0 40 GHAB Cc1cc(CS(=O)(=O)c2nc(C)c(C)n2[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)no1 108068225 TWBMOZBCAQOWGF-OVWQWFNUSA-N 377.510 3.767 0 40 GHAB COc1ccc(OC)c(CN2[C@H]3CC[C@H]2CC(NC(=O)c2ccc(F)cc2)C3)c1 101256731 VCZSBMJVDKDBFA-PMACEKPBSA-N 398.478 3.768 0 40 GHAB COc1ccccc1N1CCN(Cc2nc(-c3ccc(SC)cc3)no2)CC1 57427649 WDOGIHRIDARWSJ-UHFFFAOYSA-N 396.516 3.789 0 40 GHAB CCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(C)(C)C 8132949 PJCPUUZTDAWPFX-UHFFFAOYSA-N 391.489 3.590 0 40 GHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2Cl)cc1OC 1993683 OIOBNZKHZIMKHN-CSKARUKUSA-N 375.808 3.552 0 40 GHAB CCCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1ccc(Br)cc1 2062027 DVRKGOMKIMZQAL-OAHLLOKOSA-N 381.270 3.763 0 40 GHAB CC(=O)N(c1ccccc1)c1nc(Cn2nc(-c3cccs3)oc2=O)cs1 10801525 YPMWWVBZBKMEFR-UHFFFAOYSA-N 398.469 3.754 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc(F)c1 113942292 JGYNPROUEPLUSR-UHFFFAOYSA-N 390.480 3.951 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc(NC(C)=O)c(Cl)c2)c1C 10944337 CNRTYKVNJNNJSD-LLVKDONJSA-N 391.855 3.713 0 40 GHAB O=C(NCCCN1CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 22913679 ZHXIATCIFQPJBX-UHFFFAOYSA-N 391.559 3.851 0 40 GHAB COc1ccc(-c2cc(C(=O)Nc3onc4c3C[C@H](C)CC4)no2)cc1OC 46085596 SNFFYQXBPGABNM-LLVKDONJSA-N 383.404 3.724 0 40 GHAB NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 29571205 HRAYIBCCFOLMTO-UHFFFAOYSA-N 398.871 3.811 0 40 GHAB O=C(NCCc1cccc(F)c1)NCC1CCN(Cc2cccs2)CC1 60219765 NQXZFHYUYXXJEN-UHFFFAOYSA-N 375.513 3.641 0 40 GHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)o1 12051913 FOIQCZONCCFRDL-UHFFFAOYSA-N 375.837 3.945 0 40 GHAB COc1ccc(OC)c(C(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)c1 3306171 UNCBZASPHQDVBI-UHFFFAOYSA-N 394.423 3.907 0 40 GHAB Cc1nnc(SCc2cc(=O)oc3cc(O)ccc23)n1Cc1ccccc1 3363552 RAMPSPYFSSEYGQ-UHFFFAOYSA-N 379.441 3.739 0 40 GHAB O=C(COc1ccc(F)cc1)Nc1ccccc1C(=O)NCc1ccccc1 22020806 XLMMIZWAFIMQGO-UHFFFAOYSA-N 378.403 3.773 0 40 GHAB COc1ccc(N)cc1NC(=O)COc1c(C)cc(C)cc1Br 57340363 MGMUEWCSXMKNBE-UHFFFAOYSA-N 379.254 3.674 0 40 GHAB Clc1snnc1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 48309253 IMHUAELQSYAJKJ-VIFPVBQESA-N 399.954 3.983 0 40 GHAB CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 101708110 IXYSNJPFISXRPY-HLIPFELVSA-N 384.520 3.633 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1 10472513 ZEMGOSWOHLIOSO-UHFFFAOYSA-N 384.476 3.594 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 21335139 WUXSFKLTAYHLLD-UHFFFAOYSA-N 394.427 3.549 0 40 GHAB CN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)cc2C1=O 13001976 WOQVSWLSIHACRQ-UHFFFAOYSA-N 397.843 3.942 0 40 GHAB Cc1nn(C)c2ncc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc12 13007714 ZATOIGIAMNGORE-UHFFFAOYSA-N 385.427 3.781 0 40 GHAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2C)cc1Br 13135315 BJCGPXAQTXNZKO-UHFFFAOYSA-N 384.295 3.587 0 40 GHAB COCCCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 39844091 ARNYWIAYDNGKKX-UHFFFAOYSA-N 390.436 3.762 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCCC2)n3C)c1 5207603 IPHWQTQXUXXBAH-UHFFFAOYSA-N 392.503 3.538 0 40 GHAB C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2c(=O)[nH]1 6369060 UOQCQQDSSXFMLR-NSHDSACASA-N 376.334 3.789 0 40 GHAB Cc1cc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@H]2CCCO2)c(C)o1 6609866 CKBIWEAVRYRDQM-GOSISDBHSA-N 384.476 3.773 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCn2ccnc2C)n3C)cc1 6665141 KSVMQQUFCIQWST-UHFFFAOYSA-N 389.459 3.582 0 40 GHAB CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cccc(F)c1 4736314 XOJZRFMDSBUQOA-UHFFFAOYSA-N 382.464 3.786 0 40 GHAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(N)s1)c1ccc(Cl)cc1Cl 5636749 GHNSJFDVQOCNIY-NKWVEPMBSA-N 377.322 3.785 0 40 GHAB COc1ccc(-c2noc(CNC(=O)COc3cccc4ccccc34)n2)cc1 4943725 COUJWWIOYXVSNZ-UHFFFAOYSA-N 389.411 3.594 0 40 GHAB CCn1c(SC[C@@H](O)COCc2ccccc2F)nnc1-c1ccccc1 7205361 UZJJAEBGILBQGN-KRWDZBQOSA-N 387.480 3.774 0 40 GHAB COc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1Cl 7376394 OMGCZGJIUYTNAQ-UHFFFAOYSA-N 390.686 3.590 0 40 GHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc21 15867630 QRTCOZPAJHKJER-UHFFFAOYSA-N 389.452 3.805 0 40 GHAB CC1=NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2N1CC(C)C 15867698 KCNCEMKEXCJZET-UHFFFAOYSA-N 389.452 3.661 0 40 GHAB CCOC(=O)/C(=C\Nc1ccc(C)cc1)S(=O)(=O)c1cc(F)c(F)cc1F 67340835 JLEMICQVULJBOA-LICLKQGHSA-N 399.390 3.703 0 40 GHAB O=C([C@@H](Sc1nnnn1-c1cccc(Cl)c1)c1ccccc1)N1CCCC1 7745518 FUSJHGIIRLUFAD-KRWDZBQOSA-N 399.907 3.772 0 40 GHAB CCC(CC)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 7784648 RMXURBXRQCOZFX-UHFFFAOYSA-N 387.530 3.844 0 40 GHAB C[C@@H]1CCN(C(=O)Cn2nnc(-c3cccc(Cl)c3)n2)c2ccccc2S1 8191241 IPEOKGMDBXGLDE-CYBMUJFWSA-N 399.907 3.911 0 40 GHAB O=C(c1ccccc1Oc1cccc(Br)c1)N1CCC(O)CC1 71945764 AFOHRDPXDWKOSO-UHFFFAOYSA-N 376.250 3.838 0 40 GHAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1sccc1C)C(C(=O)OC)=C(C)N2 8346008 USNYWVPTJJAUDE-LBPRGKRZSA-N 391.518 3.646 0 40 GHAB CCn1nccc1[C@@H](C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)C 17077811 LUTZLMQNEHIAQT-CYBMUJFWSA-N 380.496 3.905 0 40 GHAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1cccc(N2CCCC2=O)c1 18085733 XNVOJHCUBBICCZ-UHFFFAOYSA-N 391.471 3.738 0 40 GHAB NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)Cc1c(F)cccc1Cl 9117739 CKIPTRVQVMFUMM-UHFFFAOYSA-N 389.858 3.750 0 40 GHAB Cc1occc1C(=O)N1CCC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306124874 CBDWKLQWONMMDS-SFHVURJKSA-N 387.443 3.713 0 40 GHAB O=C(c1ccco1)N1Cc2ccccc2[C@@H](c2nccn2Cc2ccccn2)C1 306127827 GIQVFTANEHVFRQ-FQEVSTJZSA-N 384.439 3.707 0 40 GHAB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(OC(C)C)cc2)C1=O 409203877 ZMQPRORBYWCEQK-SXGWCWSVSA-N 377.462 3.709 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 39748614 OCZXULWNBQZQPR-UHFFFAOYSA-N 380.488 3.941 0 40 GHAB COc1cc2c(cc1OC)[C@@H](NC(=O)CCn1ccc3cccc(OC)c31)CC2 524734006 MOOJVRFXGLLDKA-SFHVURJKSA-N 394.471 3.861 0 40 GHAB COc1cc2c(cc1OC)[C@H](NC(=O)c1cc(-c3ccccc3OC)[nH]n1)CC2 524732512 KWYJRSHKOIFDKI-MRXNPFEDSA-N 393.443 3.520 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@@]23C[C@H]2COC3(C)C)cn1 528912616 JZLNLPFYEPHWQX-QKKBWIMNSA-N 383.448 3.880 0 40 GHAB CCN1CCN(C[C@@H](C)CNCc2cc(-c3ccccc3)ccc2OC)CC1 532300565 FMHYRGAWSFMJQL-FQEVSTJZSA-N 381.564 3.725 0 40 GHAB COc1cccc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)c1O 39489075 HIZWUVZJZUZGKO-UHFFFAOYSA-N 391.423 3.787 0 40 GHAB O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CC1 72337775 WLCJOHSPEKBAIN-QAPCUYQASA-N 391.487 3.901 0 40 GHAB COc1cccc(-c2noc(CNC(=O)COc3ccc(C(C)C)cc3)n2)c1 218963394 WCMHDDGWOCWQBU-UHFFFAOYSA-N 381.432 3.564 0 40 GHAB Cc1ccc(NC(=O)C(=O)NCc2ccccc2Cl)c(Br)c1 42646398 GKAAGWWUJRDVHO-UHFFFAOYSA-N 381.657 3.666 0 40 GHAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 223220547 MVYRFMALIVAWMH-RBUKOAKNSA-N 385.581 3.562 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 224671930 VNXOABVCWKQXQC-SJORKVTESA-N 383.488 3.925 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 222937635 VAZYTZFSFDLMGR-QFIPXVFZSA-N 396.531 3.612 0 40 GHAB CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 223046154 HHQMCTGPRSOZPE-XMMPIXPASA-N 386.495 3.963 0 40 GHAB CCN(c1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1)S(=O)(=O)CC 222393574 UFAHBRQQCGMLQK-UHFFFAOYSA-N 396.896 3.777 0 40 GHAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NCc3cccnc3)n2)cc1 225200552 CGQSIBNMKSIOSK-UHFFFAOYSA-N 394.504 3.809 0 40 GHAB CCN(c1ccc(C(=O)N2CCC(C)CC2)cc1)S(=O)(=O)c1ccccc1 224355970 SLSFVGXITGYCKY-UHFFFAOYSA-N 386.517 3.774 0 40 GHAB O=C(Nc1cccc(OCc2cccc(F)c2)c1)N1CCC2(CC1)OCCO2 48162526 GHEHZDCCKCVQSB-UHFFFAOYSA-N 386.423 3.776 0 40 GHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC[C@@H]1COc2ccccc2O1 225267433 FFRIVFBORPHCFX-UXHICEINSA-N 377.440 3.953 0 40 GHAB S=C(Nc1nc(N2CCCCCC2)cc(N2CCCCCC2)n1)NC1CC1 226004104 KTMSYSDPPSYROI-UHFFFAOYSA-N 388.585 3.686 0 40 GHAB CC(C)c1cc(C(=O)N2CCN(c3ccccc3)CC2)nc(N2CCCCC2)n1 96101216 CCMVWEQRAJCTHZ-UHFFFAOYSA-N 393.535 3.553 0 40 GHAB CCC1=NC2(CCC(C(=O)NCc3ccc(C)cc3)CC2)C(=O)N1CC1CC1 96261376 WOIQKODPWYLXDH-UHFFFAOYSA-N 381.520 3.601 0 40 GHAB Cc1ccc(CN2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3C)o1 96036982 HAOOJEQMNAMCCF-UHFFFAOYSA-N 376.504 3.888 0 40 GHAB COc1cccc(C2(C(=O)N3CCC(O)(Cc4cccc(C)c4)CC3)CC2)c1 585081945 IBJHKJVRJVIDNY-UHFFFAOYSA-N 379.500 3.631 0 40 GHAB CCOP(=O)(OCC)c1nc(-c2cccnc2)oc1NCc1cccnc1 585152234 DSYDMAWFBLJNSM-UHFFFAOYSA-N 388.364 3.635 0 40 GHAB Fc1ccc(CN2CCO[C@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)cc1 257257534 KQAXGXQIWGSNRH-QFIPXVFZSA-N 399.441 3.883 0 40 GHAB CNc1cc(C(=O)N2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)ccn1 257322954 WIFPXWXOTYUTKI-FQEVSTJZSA-N 392.434 3.538 0 40 GHAB Cc1ccc(C)c(N([C@H](C)C(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c1 260850950 UENRBBKBOVUDGX-MRXNPFEDSA-N 382.570 3.789 0 40 GHAB CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N2CCCC3(CC2)CC3)c1 626464579 SOZCSDCNZIPKEX-INIZCTEOSA-N 393.553 3.703 0 40 GHAB C[C@H]1CCCCN1CCCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 32929523 XBLFRZKYURPIMZ-AWEZNQCLSA-N 394.459 3.518 0 40 GHAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@H]1CCOc2ccccc21 56441480 PAMAIDFADOGBGN-FQEVSTJZSA-N 383.467 3.613 0 40 GHAB C[C@H](O)c1cc(NCc2c(Cl)cccc2N2CCN(C)CC2)ccc1F 585081811 HBZMZUCCUZHYDB-AWEZNQCLSA-N 377.891 3.896 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COc1c(F)cc(Br)cc1F 5258758 JMYQPHVQYYQNOG-WZRBSPASSA-N 378.257 3.730 0 40 GHAB Cc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C 5635834 KIFAVDBECGOTBJ-UHFFFAOYSA-N 386.517 3.659 0 40 GHAB Cc1cnc(C(=O)N2[C@H]3CC[C@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)cn1 12085317 KRJLJPUJKHBOMI-QIIPPGSGSA-N 391.393 3.876 0 40 GHAB CC(=O)N[C@@H](CC(=O)Oc1ccc(C)cc1Br)c1ccccc1 12789681 LMMHSMQEDYYCNA-INIZCTEOSA-N 376.250 3.930 0 40 GHAB C[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C12CC3CC(CC(C3)C1)C2 14106922 BVTDRYOUNIVIHA-XUXNNNHQSA-N 382.426 3.588 0 40 GHAB C[C@H]1CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3ccccc3F)C(=O)[C@@H]2C1 18244067 ICEKNDHOWRHIOW-OFQRWUPVSA-N 381.403 3.971 0 40 GHAB Cc1c(-c2cc(C(=O)NCC3(N(C)C)CCCC3)c3ccccc3n2)cnn1C 19716477 PNAYAZXWGCLQPO-UHFFFAOYSA-N 391.519 3.548 0 40 GHAB Cc1nccn1Cc1cccc(NC(=O)[C@H](c2ccccc2)n2ccnc2C)c1 19718853 WXDHBVGQUCTDKZ-QFIPXVFZSA-N 385.471 3.973 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2cnn(-c3cccc(Br)c3)c2)cc1 106589370 RRMSMTQXPUXLNM-UHFFFAOYSA-N 399.248 3.846 0 40 GHAB COc1ccc(CC(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1OC 4087650 LILUQJMTOMISPL-UHFFFAOYSA-N 375.494 3.583 0 40 GHAB CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCCC1 5637837 BORHCAJNMYUXSJ-UHFFFAOYSA-N 394.537 3.777 0 40 GHAB COc1ccc(CCNC(=S)Nc2cc(Cl)c(OC)cc2OC)cc1 16281580 WYSUDOKRGDWGHD-UHFFFAOYSA-N 380.897 3.895 0 40 GHAB COc1cccc(CN2CCC3(CCC(=O)N3Cc3cccc(C)n3)CC2)c1 1203820101 DAXSZMHIXOGVCG-UHFFFAOYSA-N 379.504 3.556 0 40 GHAB COc1ccc(C(=O)CSc2ccc3nnc(-c4cccs4)n3n2)cc1 4326838 AOGLGBGDTUQJDI-UHFFFAOYSA-N 382.470 3.836 0 40 GHAB O=C1C[C@H](c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc2c(c1)OCO2 12416017 XUBBQKXTMCMRQD-LBPRGKRZSA-N 383.791 3.639 0 40 GHAB Cc1nc(C)c(CN2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)s1 1775974860 UICXVFRXIYBIBR-UHFFFAOYSA-N 383.496 3.678 0 40 GHAB Cc1cc(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)ccc1F 23143595 VEKYGAQTIXKWIC-UHFFFAOYSA-N 377.359 3.510 0 40 GHAB Cc1cc(C)n(-c2ccc(CCC(=O)Nc3ccc4c(c3)OCCO4)cc2)n1 225604926 DODWGMFJFVMZPF-UHFFFAOYSA-N 377.444 3.832 0 40 GHAB CCOc1ccc(CC(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1 43983436 ADZJVSOFJQSISC-UHFFFAOYSA-N 396.487 3.655 0 40 GHAB O=C(CSCc1ccccc1)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 44002053 JEIINQOXOVZHGS-CMDGGOBGSA-N 398.528 3.581 0 40 GHAB COc1ccccc1[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1nccn1C 40013296 JMKKFOKIFHRCSC-QHCPKHFHSA-N 389.499 3.756 0 40 GHAB Cc1cccnc1NC(=O)C1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1 40147007 NJOAPGSQDMHYJX-UHFFFAOYSA-N 391.515 3.689 0 40 GHAB CN(CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1csc2ccccc12 51853543 YIYLGQDDZGPSGI-GOSISDBHSA-N 393.556 3.976 0 40 GHAB Cc1cc(CN2CCN(C(=O)Cc3coc4ccc5ccccc5c34)CC2)no1 32741386 IOLGHHXXKOYIDI-UHFFFAOYSA-N 389.455 3.769 0 40 GHAB CS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)cc1 32755048 BUQCENYXYBMUFM-UHFFFAOYSA-N 388.466 3.525 0 40 GHAB COCCn1c(SCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)nc(C)c1C 32810094 KKYWMMMKORXCIM-INIZCTEOSA-N 375.538 3.733 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21822149 XRHYMRZIVREHRD-HXUWFJFHSA-N 391.559 3.841 0 40 GHAB CCCCN1C(=O)[C@@H]2ON(c3ccccc3C)[C@H](c3ccc(OC)cc3)[C@H]2C1=O 102862247 UQWSVJQDAOICJZ-NJDAHSKKSA-N 394.471 3.650 0 40 GHAB Cc1nccc(-c2cccc(NC(=O)[C@H]3CC(c4cccc(F)c4)=NO3)c2)n1 41831912 RBHTXXVSPPDNEW-HXUWFJFHSA-N 376.391 3.723 0 40 GHAB Cc1ccc2c(c1)[C@H]1NC(=S)N[C@@](C)(O2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 104060028 SGASQZHAKQZCRU-FCEWJHQRSA-N 387.892 3.531 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1 856399 OOEIYMRAHHPJSF-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB Cc1cc(S(=O)(=O)NCc2ccc(OCC(F)(F)F)cc2)c(C)s1 23440921 ZDKGPPZSQVQMLQ-UHFFFAOYSA-N 379.425 3.785 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1 24361510 PZHLZKABZYJPDG-UHFFFAOYSA-N 387.501 3.950 0 40 GHAB O=C(CSc1ncccn1)Nc1ncc(Cc2ccccc2Cl)s1 818844 QJAJASSRJSWNRU-UHFFFAOYSA-N 376.894 3.908 0 40 GHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCc3ccccc3C2)cc1 983627 LQWYAILKWGSAMZ-UHFFFAOYSA-N 378.501 3.561 0 40 GHAB COc1ccc(CCNC[C@@H](O)CSc2ccc(Cl)cc2)cc1OC 1718134 PQFKIFRCQOOMKL-MRXNPFEDSA-N 381.925 3.643 0 40 GHAB Cc1sc2nc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)n(C)c(=O)c2c1C 24968175 QBXMGTLRCXSPFZ-LLVKDONJSA-N 398.513 3.702 0 40 GHAB CCOCCCNc1c2c(nc3cc(-c4cc(OC)cc(OC)c4)nn13)CCC2 4966228 PXQNNCDOIHDVKB-UHFFFAOYSA-N 396.491 3.741 0 40 GHAB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cn(C)c3ccccc23)SC1=S 6563808 QSOPYXJVMUYCLE-WNLSXJKCSA-N 388.514 3.879 0 40 GHAB CCC[C@H](C)NC(=O)COC(=O)/C=C/c1c(C)nn(Cc2ccc(C)cc2)c1C 6609089 BNKYJTPWKUWVND-UJGDBWEASA-N 397.519 3.718 0 40 GHAB COc1ccc(-n2c(N)c(C(=O)NCCc3ccccc3)sc2=S)cc1 7499957 CNXKNOLFUGXKQK-UHFFFAOYSA-N 385.514 3.832 0 40 GHAB COc1cc(CNC(=O)c2ccccc2Br)ccc1OC(F)F 8062205 SCBRSAAWCIFJQM-UHFFFAOYSA-N 386.192 3.989 0 40 GHAB C[C@H]1CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3ccc(O)cc3)c3cccc1c32 8215641 FHHJIBMLRXMWSM-WHEQGISXSA-N 394.496 3.957 0 40 GHAB CSc1ccccc1NC(=O)CN(C)C(=O)CCC(=O)c1ccc(C)s1 8305332 XQXAFGNNBFEPEM-UHFFFAOYSA-N 390.530 3.838 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)c(C)c1 8433695 BYBFYTVRXJQXLI-UHFFFAOYSA-N 382.460 3.821 0 40 GHAB Cn1cc(N2CCC[C@H](N[C@H](c3ccc(Br)cc3)C3CC3)C2)cn1 108398682 GIBBAZVXLDNFTF-HKUYNNGSSA-N 389.341 3.892 0 40 GHAB COc1cc(OC)c(OC)cc1CN1CCC(N(C)Cc2ccccc2)CC1 54991797 JHYQPAYFFOZHQR-UHFFFAOYSA-N 384.520 3.809 0 40 GHAB COc1ccc(S(=O)(=O)Oc2ccccc2C(=O)Nc2ccccc2)cc1 2069528 RISXWAZQFXSWRM-UHFFFAOYSA-N 383.425 3.715 0 40 GHAB Cc1noc([C@@H]2CCCN(C(=O)NCCc3cc(Cl)cc(Cl)c3)C2)n1 58239425 ZROZYSHKNRRRKE-CYBMUJFWSA-N 383.279 3.817 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)C(C)(C)C)cc3C2)cc1 9203488 NHYKMNCYQHEOGH-UHFFFAOYSA-N 386.517 3.727 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c1 28237647 CXIHNZWUFHUVST-OAHLLOKOSA-N 383.448 3.649 0 40 GHAB O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCc1cccs1 2412800 PKPASUMWCSRCCR-UHFFFAOYSA-N 378.523 3.682 0 40 GHAB aggregator COC(=O)C[C@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(Cl)cc1 11671232 LXBNTRZAOZXEBD-AWEZNQCLSA-N 391.880 3.631 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)CC(C)C)cc2)sc1C(=O)O 45946698 OCCPFGHVDIMBNX-UHFFFAOYSA-N 396.490 3.540 0 40 GHAB COc1ccc(C(=O)COC(=O)COc2ccc3ccccc3c2)c(OC)c1 2633943 ZFZGKGRXPYDZPP-UHFFFAOYSA-N 380.396 3.662 0 40 GHAB O=C(NC1CCCCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 3207914 FOCMTNTUPPIQBY-UHFFFAOYSA-N 378.538 3.704 0 40 GHAB O=C(NCc1cccnc1-n1cccn1)Nc1cccnc1Oc1ccccc1 48235039 KDVJRGBZRSTDPF-UHFFFAOYSA-N 386.415 3.776 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 12764744 HNCBIMKHTLGFIU-QGZVFWFLSA-N 380.444 3.782 0 40 GHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc(C)c(F)c1 3365551 YUAGOQVZQIZWSI-UHFFFAOYSA-N 378.425 3.566 0 40 GHAB C[C@@H](NC(=O)Cn1cccc(C(F)(F)F)c1=O)C12CC3CC(CC(C3)C1)C2 12852538 LUJSOWRLHCURPV-XUXNNNHQSA-N 382.426 3.588 0 40 GHAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)c1ccccc1 12877238 QXIJYRHDLJPPFW-INIZCTEOSA-N 393.512 3.826 0 40 GHAB C[C@@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)NC(=O)NC(C)(C)C 12861761 RXNWXBBEWQAMJU-GFCCVEGCSA-N 398.488 3.995 0 40 GHAB O=C(Cc1csc(NC(=O)c2cccs2)n1)N[C@@H]1CCOc2ccccc21 12920567 CLAIOAYWIHSUQI-CQSZACIVSA-N 399.497 3.639 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccnc3)c2)cc1F 9376346 NFJGHFWWRJPKMB-UHFFFAOYSA-N 385.420 3.582 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)o2)c(OC)c1 5170799 JLGOARQHVSYVAK-ZDUSSCGKSA-N 399.472 3.723 0 40 GHAB O=C1OCC[C@@H]1Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl 5243774 INCBMTMIZYZUOA-INIZCTEOSA-N 386.860 3.506 0 40 GHAB C[C@H](CCc1ccccc1)NC(=O)CCSc1nc(Cl)nc2nc[nH]c12 9421624 UYKGJHNEPNYJBC-GFCCVEGCSA-N 389.912 3.626 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc1 9484613 VGXGCVVKTVZXKQ-KRWDZBQOSA-N 377.444 3.667 0 40 GHAB CC1CCC(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 6779061 YDNAPSUCDGWIBJ-IAYYMHMVSA-N 390.483 3.589 0 40 GHAB CCOc1ccccc1C(=O)NCC(=O)Nc1nc(-c2cccs2)cs1 6968483 LXJMEYUFQRCARV-UHFFFAOYSA-N 387.486 3.639 0 40 GHAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)c1 113967698 SYALQCHMKIEFGG-UHFFFAOYSA-N 396.459 3.767 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)Nc1cccc(Cl)c1C 7976514 QJRAYWDCHXSGHG-UHFFFAOYSA-N 392.839 3.503 0 40 GHAB CCOC(=O)c1oc2ccccc2c1CN(C)Cc1ccc(C(=O)NC)cc1 7995399 OADVEWQXQLKQQB-UHFFFAOYSA-N 380.444 3.601 0 40 GHAB O=C(Nc1cccnc1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 8025179 RPKQMNJBZUNFGX-UHFFFAOYSA-N 393.877 3.850 0 40 GHAB O=Cc1ccc(-c2ccc(C(=O)OCC(=O)N3CCc4ccccc43)cc2)o1 409213688 UIVBEXWFRYSRMS-UHFFFAOYSA-N 375.380 3.505 0 40 GHAB CCCOc1ccc(N2C[C@H](C(=O)NCc3ccccc3Cl)CC2=O)cc1 408707783 LYAPFEVWHDZYJO-MRXNPFEDSA-N 386.879 3.798 0 40 GHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 8719730 SSGBBMXNNCMJOT-UHFFFAOYSA-N 384.233 3.666 0 40 GHAB COc1cc(OC)c2cc(C(=O)NCCc3c[nH]c4ccccc34)n(C)c2c1 8765518 FIZPSUGBFCFQJK-UHFFFAOYSA-N 377.444 3.649 0 40 GHAB biogenic CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2ccc(OC)cc2)n1 72378837 NKYIXOGFEKDBSO-FQEVSTJZSA-N 390.487 3.745 0 40 GHAB CCCOc1c(Cl)cc(C(=O)N[C@H](C(=O)OCC)[C@H](C)CC)cc1OC 72303246 VDCGBPIRGJNOOM-WBMJQRKESA-N 385.888 3.845 0 40 GHAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 84706096 CYRNHZVBSMQEHF-GCTDCNCDSA-N 396.453 3.819 0 40 GHAB O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cnc2nc[nH]c2c1 89775034 UODBWYGQOWESDT-GOSISDBHSA-N 378.382 3.950 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1Cl 408551752 IOCWGKQOSYDERM-ZDUSSCGKSA-N 388.876 3.799 0 40 GHAB Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)Nc3nccs3)c12 36618464 WXTJGFKHSXQRAJ-UHFFFAOYSA-N 380.385 3.636 0 40 GHAB CCN(CC)C(=O)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409131818 OXWROXIPCWVUPO-UHFFFAOYSA-N 394.456 3.971 0 40 GHAB O=C(NCc1cccnc1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849967 NFRLRAQBCCKCEK-HNNXBMFYSA-N 378.303 3.917 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30939514 BSXSUSHBJOQONP-SFHVURJKSA-N 397.494 3.816 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3C)c2C)c(C)c1 71327202 IJRDGGSPJXWBAW-UHFFFAOYSA-N 391.475 3.711 0 40 GHAB COc1ccc(C2(CNC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)CCCCC2)cc1 63119715 AFEXURRCCHBEMT-IBGZPJMESA-N 398.547 3.662 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 225163468 LITPFHSKXPALCM-OAQYLSRUSA-N 382.504 3.707 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1C 223514242 LMKCWVGSAJNBOE-LJQANCHMSA-N 396.531 3.880 0 40 GHAB Cc1ccc(-n2c(SCc3nc(C)no3)nnc2-c2ccccn2)c(C)c1 48367556 HJBXUSMGQNLSCT-UHFFFAOYSA-N 378.461 3.930 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1 225012617 GSIMVTFTNZQOMI-MOPGFXCFSA-N 382.504 3.706 0 40 GHAB O=C(NC[C@](O)(c1ccco1)C1CC1)C1c2ccccc2Oc2ccccc21 77099460 SONPUTVAYRZRFC-HSZRJFAPSA-N 375.424 3.931 0 40 GHAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 225383777 OQJVZXOEUKNQOL-JOCHJYFZSA-N 396.531 3.880 0 40 GHAB Cc1nc(-c2cccc(F)c2)sc1C(=O)NCC1CCC(C(=O)O)CC1 49549143 PGJORMIZYMVDME-UHFFFAOYSA-N 376.453 3.878 0 40 GHAB O=C(c1cc2ccccc2s1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225729518 ASPQTRWTCXSMME-UHFFFAOYSA-N 392.406 3.673 0 40 GHAB C[Si]1([Si]2(C)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 195838002 VZAAIZODKRDSGC-UHFFFAOYSA-N 390.634 3.812 0 40 GHAB CN(C)C(=O)Cn1ccc2cc(NC(=O)[C@H]3CC[C@@H](c4ccccc4)O3)ccc21 585083797 PNLJMNVBDATFQV-LEWJYISDSA-N 391.471 3.588 0 40 GHAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21)NCC1CC1 96241985 HGDREFFSDHLBEA-LJQANCHMSA-N 392.499 3.857 0 40 GHAB O=C(O)[C@H](Cc1cccc2ccccc12)NS(=O)(=O)c1ccc(Cl)s1 579982178 PVVDKLBPOGIREN-AWEZNQCLSA-N 395.889 3.529 0 40 GHAB NC(=O)c1cccc2c1CCCN2C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 97392570 XHHLGXWZKTVDLR-HOTGVXAUSA-N 388.389 3.887 0 40 GHAB O=C(Nc1cccc(F)c1)[C@H]1C[C@]12CCN(C(=O)NCc1cccc(F)c1)C2 96227232 RGJPGSKXGSLCBH-NQIIRXRSSA-N 385.414 3.525 0 40 GHAB Cc1nc(-c2ccc(F)cc2)nc2c1CCN(C(=O)NCc1ccccc1)CC2 96254748 SHRNLCNMHWYZPZ-UHFFFAOYSA-N 390.462 3.902 0 40 GHAB Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)Cc3ccccc3F)C2)n1 257212319 CCUWOYZBZFQTJJ-INIZCTEOSA-N 394.450 3.521 0 40 GHAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)NC[C@@H](C)O)CCOCC3)cc2)c1 257232032 GJCRPTVIGAHNRR-LJQANCHMSA-N 381.516 3.807 0 40 GHAB C[C@@H](CC(=O)O)[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 253610271 KFMBVCVREUOCAU-URGXPQMMSA-N 376.537 3.864 0 40 GHAB Cc1ccccc1N(CCCC(=O)N1c2ccccc2C[C@H]1C)S(C)(=O)=O 260770923 UXYBMHNDRUGBQV-QGZVFWFLSA-N 386.517 3.519 0 40 GHAB NC(=O)Nc1ccc(CNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 643676496 LEFBFHQGBHLVMB-UHFFFAOYSA-N 393.418 3.825 0 40 GHAB O=C(N[C@@H]1CCCCc2cc(Br)ccc21)[C@H]1CC[C@@H](C(=O)O)C1 659233514 YEGBJPNRLDWHGF-WOSRLPQWSA-N 380.282 3.834 0 40 GHAB CC(C)(Cc1ccccc1)c1noc(Cn2cc(C(F)(F)F)ccc2=O)n1 1255970161 LIUMKNJJKXFTSY-UHFFFAOYSA-N 377.366 3.819 0 40 GHAB CC(C)Sc1ccc(CC(=O)N2CC[C@@H](Oc3ncc(Cl)cn3)C2)cc1 575608414 YANABJKAOUBIHE-MRXNPFEDSA-N 391.924 3.853 0 40 GHAB C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1C[C@H]2[C@@H](N)CCC[C@H]2C1 580834672 QTPHAGQQPSOJCA-BWPNAZKDSA-N 379.504 3.865 0 40 GHAB COc1ccc(Cl)cc1[C@@H](O)CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 585110575 NPTUFRHPZZXMPK-BNOWGMLFSA-N 379.806 3.867 0 40 GHAB O=C(OCC(=O)N1CCCc2ccccc21)c1cc(-c2ccccc2Cl)[nH]n1 84581955 UYLMYICTGGTFRD-UHFFFAOYSA-N 395.846 3.866 0 40 GHAB O=C1NC(=O)/C(=C\c2ccc(-c3ccc(I)cc3)o2)S1 3029896 GJWICEZSGVZKRF-KPKJPENVSA-N 397.193 3.875 0 40 GHAB CCn1cc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)c(C)n1 1615159226 PCQBEZZCDKTQGS-UZLBHIALSA-N 384.499 3.870 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)n1 1615117720 BZXOAUOYJXOUBA-QFIPXVFZSA-N 384.499 3.689 0 40 GHAB CCOC(=O)c1nnc2c(Br)c(-c3ccc(Cl)cc3)nn2c1C 5460905 DKKSAAVXPVDBNL-UHFFFAOYSA-N 395.644 3.692 0 40 GHAB Cc1ccccc1OCC(=O)NCCc1csc2nc(-c3cccs3)nn12 5166353 SWGBDIMMQVCVJF-UHFFFAOYSA-N 398.513 3.565 0 40 GHAB COc1ccc(NC(=O)Cn2c(=N)sc3cc(Br)ccc32)cc1 5694340 AQQZFWWOHPTHEO-UHFFFAOYSA-N 392.278 3.592 0 40 GHAB Cc1cccc(NC(=O)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c1C 11659055 XRXVGTPYAWGRMU-UHFFFAOYSA-N 384.435 3.883 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 12181430 SALYKJXPYGHQDN-OASPWFOLSA-N 399.442 3.933 0 40 GHAB Cc1ccc([C@@H](CNC(=O)C[C@H](C)n2nc(C)c(Cl)c2C)N(C)C)cc1 19136435 GGNHOLIDFMZPMA-KBXCAEBGSA-N 376.932 3.832 0 40 GHAB Cc1c(C(=O)NC2CCN(CC3(c4ccccc4)CCCCC3)CC2)cnn1C 19553448 STPOUNDFUXBBPY-UHFFFAOYSA-N 394.563 3.825 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)Cc3ccccn3)[C@H]3CCCC[C@H]32)cc1OC 19561388 CYQIFSWKDVVAAM-PNQHUFSXSA-N 380.488 3.730 0 40 GHAB Cc1c(CN2CCC(O)(Cn3cnc4ccccc43)CC2)[nH]c2ccc(F)cc12 19565446 PGBZAIYQRNXWMD-UHFFFAOYSA-N 392.478 3.992 0 40 GHAB COc1cccc2cc(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)c(C)nc12 19664777 CGZKYSOCSJJVJY-LJQANCHMSA-N 391.471 3.768 0 40 GHAB COc1cccc(-c2cc(C(=O)/N=c3\[nH]cc(-c4ccc(F)cc4)n3C)on2)c1 19718174 MALANMDHLWHLMU-UHFFFAOYSA-N 392.390 3.564 0 40 GHAB Cc1ccc2[nH]c(Cc3ccc(NC(=O)Cc4nc(C(C)C)n[nH]4)cc3)nc2c1 19718513 DHPVSOOKXJFNDL-UHFFFAOYSA-N 388.475 3.885 0 40 GHAB C[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)N(C)c1ccccc1 5561017 ISJPBVXMEMSWFW-OAHLLOKOSA-N 392.411 3.740 0 40 GHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(F)c(F)c1 10492693 NXNJVJQKELBELB-UHFFFAOYSA-N 389.427 3.644 0 40 GHAB O=C(N[C@H]1CCN(C2CCOCC2)C1)c1ccc(-c2cccc(Cl)c2)cc1 1888913398 LZGDVJNRKYDPHO-FQEVSTJZSA-N 384.907 3.990 0 40 GHAB COc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 16094414 DJTFZVPIXVGQNO-UHFFFAOYSA-N 378.189 3.678 0 40 GHAB Cc1cccc(C(=O)N[C@@H](C(=O)Nc2ccc(-n3cccn3)cc2)C(C)C)c1 24570899 LWYWHDFKWOPLJW-HXUWFJFHSA-N 376.460 3.574 0 40 GHAB CC(C)N1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 4087019 YZCKHFXISZCDJB-UHFFFAOYSA-N 377.897 3.519 0 40 GHAB COC(=O)c1ccc(CSc2nnc(NC(=O)Nc3ccccc3)s2)o1 4851572 CKIFFBZLFULADC-UHFFFAOYSA-N 390.446 3.854 0 40 GHAB O=C(Nc1nc(CC(=O)N2CCCc3ccccc32)cs1)c1ccccc1 9627686 YCYHCEYVFQYJSN-UHFFFAOYSA-N 377.469 3.917 0 40 GHAB COc1cc(/C=C\C(=O)NCc2cc(-c3ccccc3)on2)cc(OC)c1OC 12235403 DJGOASJHDQOLME-KTKRTIGZSA-N 394.427 3.697 0 40 GHAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1cc2ccccc2oc1=O 585148213 QYBZJKJGUYBLEA-SFHVURJKSA-N 375.380 3.516 0 40 GHAB COc1ccccc1C1(CNC(=O)c2ccc(Br)o2)CCOCC1 16970003 FOYJLOYRRLMMKN-UHFFFAOYSA-N 394.265 3.529 0 40 GHAB COc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nncs3)n2)cc1F 40134962 GBTCLFGHMYINRS-QMMMGPOBSA-N 396.494 3.929 0 40 GHAB Cc1ccccc1-c1nnn(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 31629216 WBJSLERBZCIBKO-UHFFFAOYSA-N 394.435 3.550 0 40 GHAB COC(=O)c1c(C)[nH]c(-c2ccc(OC)cc2)c1[C@@H]1C(=O)Nc2ccccc21 101692136 UDSMQVNLNQVGJR-GOSISDBHSA-N 376.412 3.869 0 40 GHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 102245539 CUVWLTYRUZFZSU-ULQDDVLXSA-N 376.522 3.626 0 40 GHAB CN(Cc1ccccc1Cl)c1cc(C(=O)N2CCOCC2)c2ccccc2n1 32837521 XEWABXIUCDTTQK-UHFFFAOYSA-N 395.890 3.997 0 40 GHAB Cc1ccc2c(c1)[C@@H](CC(=O)N(C)Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)N2 102791317 ILWUCKYJUGFFLG-GOSISDBHSA-N 392.434 3.609 0 40 GHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 21931237 WFOYYPYGASIRQO-IBGZPJMESA-N 386.492 3.527 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1cc(-c2ccccc2)no1 22132476 RVTXXNMWHZRVAA-UHFFFAOYSA-N 393.395 3.819 0 40 GHAB COc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1OC(F)F 22753840 NYXPDZFERSPNDU-UHFFFAOYSA-N 399.777 3.902 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccn2)CC1 23409582 LIFROTIISWOORL-ZDUSSCGKSA-N 379.291 3.538 0 40 GHAB COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCC(C)C)c3N2)c1 884289 SAYQUWDKUXMVQM-JKSUJKDBSA-N 396.413 3.938 0 40 GHAB COc1cccc(CSc2nnc(SCc3cccc(OC)n3)s2)n1 78806522 IDUAAHPXHGSDCB-UHFFFAOYSA-N 392.531 3.930 0 40 GHAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(OC)c3)cn2)cc1 1358630 PGFXWQORMPJCNA-UHFFFAOYSA-N 377.400 3.603 0 40 GHAB Cc1ccc(O)c(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 25049236 QHYFTUSWILRSIZ-UHFFFAOYSA-N 383.400 3.538 0 40 GHAB COc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1 3386790 OBIZVUJJHFLZLA-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB Cc1ccc(-n2nnnc2CSc2nc3cc4c(cc3cc2C)OCO4)cc1 4171249 IEFFZYDXWRLLBI-UHFFFAOYSA-N 391.456 3.848 0 40 GHAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 1401365 TWPYEDKUYGKWPM-QGZVFWFLSA-N 398.887 3.811 0 40 GHAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 6234984 HRCJWQUHRAWGJE-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB CC[C@H](C)NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 6358267 PKSLLBKKUGPJPS-HNNXBMFYSA-N 394.924 3.758 0 40 GHAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nc2ccccc2s1 6468781 OTZUGHTVFVUZEZ-CSNVJCEJSA-N 383.517 3.956 0 40 GHAB CN(Cc1ccc2ccccc2c1)C(=O)NCCNC(=O)c1ccc(F)cc1 56823913 MHWAILIQJYKLJV-UHFFFAOYSA-N 379.435 3.550 0 40 GHAB COC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)c(OC)c1 7623198 LQOSTOAGBQNHNC-LLVKDONJSA-N 393.823 3.550 0 40 GHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccccc1CN1CCCCC1 7850068 XMSKPTJDTSMTOL-PKNBQFBNSA-N 378.472 3.731 0 40 GHAB COc1ccc(-c2cnc(SCC(=O)Nc3cccc(NC(C)=O)c3)[nH]2)cc1 8566051 NIBQDGQBCXIDNG-UHFFFAOYSA-N 396.472 3.775 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)COc3cccc(N4CCCC4=O)c3)c2C)no1 12599306 ZWQAQLCMMDXVSR-UHFFFAOYSA-N 393.443 3.779 0 40 GHAB O=C(/C=C/c1ccco1)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1 2134229 BVZHOEHHDILWQC-VAWYXSNFSA-N 376.368 3.882 0 40 GHAB biogenic O=C(Cn1cnc2c(sc3ccccc32)c1=O)Nc1nc2ccccc2s1 57508056 SZHYPDWBTGGJAL-UHFFFAOYSA-N 392.465 3.860 0 40 GHAB Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1 10489129 SCMVSLZMKOQXLV-AWEZNQCLSA-N 395.434 3.932 0 40 GHAB O=C(CSc1ccc(Cl)cc1)NCc1cccc(CN2CCOCC2)c1 53318444 BTMKYGNFIYBRFV-UHFFFAOYSA-N 390.936 3.581 0 40 GHAB O=C(NCC(=O)N1CCCc2ccccc21)N[C@H]1CCSc2c(F)cccc21 84581951 KBTJLMYWQZHHGA-KRWDZBQOSA-N 399.491 3.641 0 40 GHAB O=C(COc1ccccc1Cl)NC(=S)Nc1ccccc1N1CCCC1 2235899 PPUVBPDMZVHYMQ-UHFFFAOYSA-N 389.908 3.832 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)Cc2cccc(F)c2)c2ccccn2)CC1 100750327 KBOXTXOIPPTSKR-GWJPWWOOSA-N 397.494 3.563 0 40 GHAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCN(c2cccc(Cl)c2)CC1 20716821 WMJPABSYPQOZDN-IBGZPJMESA-N 387.842 3.908 0 40 GHAB O=C(Nc1ccccc1SC(F)F)c1ccc(CN2C(=O)CCC2=O)cc1 29471926 FNSGGYDXTZCYRY-UHFFFAOYSA-N 390.411 3.903 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 29847141 XZFOYPYTZLCTQI-QFIPXVFZSA-N 391.492 3.878 0 40 GHAB COCCn1c(C(=O)NCCCc2nc3ccccc3[nH]2)cc2ccccc21 95474507 QPBUICOFLZVPDP-UHFFFAOYSA-N 376.460 3.527 0 40 GHAB O=C1CCCC(=O)C1C(c1ccc(C(F)(F)F)cc1)C1C(=O)CCCC1=O 100950274 HCEVZKQGEJCBCB-UHFFFAOYSA-N 380.362 3.666 0 40 GHAB Cc1ccc(-c2csc(=S)n2CC(=O)OCC(=O)NCCC(C)C)cc1 2663995 HIFBKDBSOUKSJQ-UHFFFAOYSA-N 392.546 3.960 0 40 GHAB Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc2c(ccn2CC(C)C)c1 95480963 OVHVZQRCVDJEMV-UHFFFAOYSA-N 381.476 3.892 0 40 GHAB Cc1ccc([C@@](C)(O)CN[C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)o1 95968517 LWISYEWKPSQOJC-KKSFZXQISA-N 391.533 3.863 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)cc1 3240608 YUTJFWIRZATNFM-OXQOHEQNSA-N 396.487 3.574 0 40 GHAB COc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1OC 106755122 RQOAIHQPCFSIQP-AQTBWJFISA-N 385.441 3.819 0 40 GHAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)NCc1ccc(Cl)cc1 3231638 NSOHLHSSUVCJFX-UHFFFAOYSA-N 382.243 3.540 0 40 GHAB O[C@H](CSc1nnc(Nc2ccccc2F)s1)c1ccc2c(c1)OCO2 48345284 LIEHCYVTFQOZEG-CYBMUJFWSA-N 391.449 3.975 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C2CC2)[C@@H](C)C(C)C)c1 48332771 QAVAUTCLTXSDAV-AWEZNQCLSA-N 384.517 3.505 0 40 GHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc(C)cc3)ccc21 10972364 QMRXHXASDJXTFN-UHFFFAOYSA-N 382.460 3.784 0 40 GHAB O=C1N[C@@H](CC(=O)N2[C@@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)c2ccccc21 100166404 YHHFIEZMHWSCPC-OPYAIIAOSA-N 378.447 3.938 0 40 GHAB Cc1ccc(S(=O)(=O)NCCCCCc2nc(-c3cccs3)no2)cc1 12822491 PEZWRQHHQBYNCM-UHFFFAOYSA-N 391.518 3.798 0 40 GHAB O=C(NCC1(c2ccccc2)CC1)c1ccc(I)cc1 12888198 RKLSUTRBSYWXTQ-UHFFFAOYSA-N 377.225 3.753 0 40 GHAB CC(=O)c1cccc(NC(=O)CSc2nc(COc3ccccc3C)n[nH]2)c1 3429940 RROIEDDLUWYNHQ-UHFFFAOYSA-N 396.472 3.626 0 40 GHAB O=C(c1ccc(Cn2cc(Cl)cn2)cc1)N1CCN(c2ccc(F)cc2)CC1 27969662 IUCZBJRMVGEQCT-UHFFFAOYSA-N 398.869 3.686 0 40 GHAB CCCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 9239045 DTJSPWVWNGEAQG-QZTJIDSGSA-N 393.516 3.621 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 4332994 TWVMLMMXLXRRNW-UHFFFAOYSA-N 395.550 3.846 0 40 GHAB C[C@@H](Sc1nc2ccsc2c(=O)n1-c1ccccc1)C(=O)NC(C)(C)C 14021635 FHXYUABESPVGIV-GFCCVEGCSA-N 387.530 3.843 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)o1 7007652 YKCFBGQPCNCJNT-UHFFFAOYSA-N 376.478 3.713 0 40 GHAB Cc1ccc(Nc2nnc(SCc3ccccc3Cl)n(N)c2=O)c(C)c1 28536085 NPUUGTXQUDMTIH-UHFFFAOYSA-N 387.896 3.658 0 40 GHAB Cn1c(-c2ccccc2)cnc1S[C@@H](C(=O)N1CCOCC1)c1ccccc1 7122733 WLGPUKPSVCBXFU-HXUWFJFHSA-N 393.512 3.779 0 40 GHAB C[C@@H](NC(=O)/C=C/c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 15525471 BXLIVSGZEKBSSA-HCRIHEDKSA-N 381.856 3.773 0 40 GHAB CCOc1ccccc1C(=O)NCCCC(=O)N[C@@H]1CCCc2ccccc21 7435411 GKNSKKGOGVWFSX-HXUWFJFHSA-N 380.488 3.789 0 40 GHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Br)cc1 7609505 LUPRCKHRAVOUSS-UHFFFAOYSA-N 386.249 3.647 0 40 GHAB C[C@@H](Sc1nnnn1C1CC1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 9593771 JEOVTBMPPNKJTR-SNVBAGLBSA-N 396.501 3.826 0 40 GHAB O=C(c1cncc(Br)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8185824 AGXIRTDDWXOEAO-OAHLLOKOSA-N 389.249 3.593 0 40 GHAB COc1cc(-c2noc(-c3cc4cccc(C)c4oc3=O)n2)cc(OC)c1OC 8619007 OQHOGIZNWBSVHX-UHFFFAOYSA-N 394.383 3.844 0 40 GHAB C[C@@H](NC(=O)CSc1nnc(SCC(=O)c2ccccc2)s1)C1CC1 8719594 TYIDSJFEKOKIHS-LLVKDONJSA-N 393.559 3.520 0 40 GHAB CSc1nc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c2ccccn12 83993103 HWFUAEZTYKYREK-SJORKVTESA-N 385.464 3.845 0 40 GHAB CCCCCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)CCC)s2)cc1 8914442 CLDOPFGXPDUIGB-UHFFFAOYSA-N 397.522 3.543 0 40 GHAB O=C(COc1ccc(Cl)cc1)N1CCc2n[nH]c(-c3ccc(F)cc3)c2C1 8914573 NVPFQMTYURNHKU-UHFFFAOYSA-N 385.826 3.833 0 40 GHAB O=C(NC1CCCCC1)[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1 9027074 LLZZXTVNLUOILC-IBGZPJMESA-N 393.516 3.945 0 40 GHAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(NC(=O)c2ccco2)cc1 9713256 FVMGJZHPJSKXOT-UHFFFAOYSA-N 389.411 3.676 0 40 GHAB Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)c4cccs4)s3)CC2=O)c1 9199391 PSPQNCDJSVHZGL-CYBMUJFWSA-N 398.513 3.989 0 40 GHAB CC[C@@H](NC(=O)c1ccc(OC)c(OC(F)F)c1)[C@@H](O)c1ccccc1F 72311581 PKLXWTZKRYUCJN-PBHICJAKSA-N 383.366 3.678 0 40 GHAB CCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1OC 9973458 OOKQNAUZDWGCMZ-ACCUITESSA-N 398.459 3.504 0 40 GHAB COc1ccccc1N1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 89473928 QVSUXZWXBSYQSF-SFHVURJKSA-N 385.895 3.664 0 40 GHAB O=C1CCSc2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2N1 21564255 NQKINQYJLQZPGP-UHFFFAOYSA-N 396.497 3.816 0 40 GHAB Cc1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2Br)s1 28232619 XFVFAFRRKSLVLZ-UHFFFAOYSA-N 390.690 3.897 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCCCC3)C2)cc1 302766668 IZVOJWUAMCBMDC-SFHVURJKSA-N 392.565 3.625 0 40 GHAB CCOC(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(OC)cc2)CC1 29922578 YTWPJTGHPKOZON-UHFFFAOYSA-N 393.487 3.809 0 40 GHAB O=C(C[C@@H]1CCCS(=O)(=O)C1)N1CCc2cc(-c3cccc(F)c3)ccc21 515880189 FCSSOIFORHGMIT-HNNXBMFYSA-N 387.476 3.597 0 40 GHAB Cc1ccc(-c2ccc3c([C@@H]4CN(Cc5nccs5)CCO4)nnn3c2)cc1 306144031 YTXHFYCYGGXGGW-IBGZPJMESA-N 391.500 3.735 0 40 GHAB OC1=Nc2nc(N3CCOCC3)sc2[C@@H](c2ccccc2Br)C1 36360328 NUWOGYBURBOQRP-LLVKDONJSA-N 394.294 3.866 0 40 GHAB CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 72320866 UKKOEUGGGKMOSC-ZOBUZTSGSA-N 393.528 3.648 0 40 GHAB biogenic,in-vitro COc1ccc(OC)c(S(=O)(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c1 522983567 WVTUCMNFUPJDDO-ZDUSSCGKSA-N 383.897 3.609 0 40 GHAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)NC1CCCCCCC1 1548348478 NDVDBQMNXBUEFJ-UHFFFAOYSA-N 384.520 3.811 0 40 GHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 216456270 RDYZKTOBUVOFCR-IBGZPJMESA-N 376.859 3.985 0 40 GHAB CC(=O)N1CCC(N2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)CC1 72358190 XFEIFFYTTVTGNO-HSZRJFAPSA-N 381.495 3.959 0 40 GHAB CCS(=O)(=O)c1ccc2oc([C@H]3CCN(CC4CCCCC4)C3)nc2c1 49169112 DCMFKLUZCFQZBO-INIZCTEOSA-N 376.522 3.991 0 40 GHAB biogenic,in-vitro Cc1ccc(C(=O)NC2CCCCC2)cc1N(C)S(=O)(=O)c1ccccc1 224286921 VCKULRAQAYHHPF-UHFFFAOYSA-N 386.517 3.883 0 40 GHAB CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1 225809025 DKEDGKBHMQYPKQ-UHFFFAOYSA-N 384.823 3.920 0 40 GHAB COc1cc([C@H](C)NC(=O)c2cc(-c3ccccc3)no2)cc(OC)c1OC 40111796 NWZLTOFAQRJTRY-ZDUSSCGKSA-N 382.416 3.858 0 40 GHAB O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1)Nc1ccccc1 225496329 GZDVIGHHFCWQOV-OALUTQOASA-N 394.525 3.754 0 40 GHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1sccc1C1CC1 64124804 KCUUDNJODSSPKC-LBPRGKRZSA-N 384.457 3.546 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(Cc1cnc2ccccn12)C1CC1 96097134 LZVKIZLWCVSVPM-UHFFFAOYSA-N 389.434 3.679 0 40 GHAB CN(C)c1nc(-c2cccc(F)c2)nc2c1CN(C(=O)NC1CCCCC1)CC2 96254105 GNDMNOKMZAGMPC-UHFFFAOYSA-N 397.498 3.749 0 40 GHAB Cc1nc(-c2ccccc2NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)cs1 529094318 OYUKWLKKMXFTFD-JXQWACKNSA-N 375.519 3.636 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)C1 257296522 RDEPUWQJWMJRGU-YWDBHPAQSA-N 395.547 3.869 0 40 GHAB O=C(Cn1cccn1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257284256 PBXZFEUEPVISLW-INIZCTEOSA-N 384.867 3.522 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)NC[C@](O)(c1ccsc1)c1cccs1 253409127 ZNHHXKWPLFACJS-PEKVBPLLSA-N 391.539 3.636 0 40 GHAB COc1cccc(C(=O)N2CCO[C@H](c3cccc(-c4c(C)noc4C)n3)C2)c1 257306670 SVHQBWUBELPUJV-FQEVSTJZSA-N 393.443 3.576 0 40 GHAB CO[C@H](C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@H]1CCOC1 622830206 CNWUULHJDBJMAH-PXNSSMCTSA-N 378.428 3.999 0 40 GHAB CC1=C(c2ccco2)CN(C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1 512730170 QAFIXQRKCGZGPK-SFHVURJKSA-N 387.524 3.753 0 40 GHAB CC(C)(C)c1cc(NC(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)n(-c2ccccn2)n1 567026292 IXOKPQNFIUYGKG-CVEARBPZSA-N 395.507 3.598 0 40 GHAB CC(=O)Nc1ccc(C(=O)Nc2ccccc2I)cc1 1086311 NAHZBSYYCZIURX-UHFFFAOYSA-N 380.185 3.502 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1 5270671 AWYFUESNBLUQOC-UHFFFAOYSA-N 395.846 3.761 0 40 GHAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccc(F)cc1 5969140 YTOVISVMEHXCTM-UHFFFAOYSA-N 392.386 3.874 0 40 GHAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ncoc1-c1ccccc1F 12115144 IOLXBHSYUGBYPP-UHFFFAOYSA-N 379.391 3.969 0 40 GHAB Cc1cc(C)c(NC(=O)CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(C)c1 12783923 CYVCRGSZNKFWFZ-UHFFFAOYSA-N 395.551 3.594 0 40 GHAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 13684587 APXPTVMHSSCSQC-SFHVURJKSA-N 396.487 3.538 0 40 GHAB Cc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccs3)CC2)cc1 19210309 KDZCKDHUQKHQCB-NRFANRHFSA-N 397.519 3.995 0 40 GHAB Cc1cccc(-c2ccccc2C[C@@]2(C(N)=O)CCN(C(=O)C3CCC3)C2)c1 19235454 GENMSGUVOYGUMC-DEOSSOPVSA-N 376.500 3.709 0 40 GHAB Cc1nc([C@H]2CCCN2C(=O)C[C@H]2C=CCC2)[nH]c(=O)c1Cc1ccccc1 19579197 BWJXRTSGRFDDKW-AZUAARDMSA-N 377.488 3.689 0 40 GHAB CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1csc3c1CCCC3)C2 19588980 MEMBWAIPFHQYGK-LJQANCHMSA-N 396.560 3.772 0 40 GHAB CN(CCOc1ccc(F)cc1)C(=O)C1(c2cccc(F)c2)CCOCC1 19662039 OACDCJHCGVRDAV-UHFFFAOYSA-N 375.415 3.550 0 40 GHAB Cc1cccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1 14014299 PNZBHOLXINCSKZ-UHFFFAOYSA-N 393.534 3.553 0 40 GHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(-c2ccccc2F)o1 23732130 TWAKWRDTBRUGMS-UHFFFAOYSA-N 386.467 3.851 0 40 GHAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21)c1ccccc1 4359059 TWPWSLIKGUAMQN-UHFFFAOYSA-N 396.402 3.782 0 40 GHAB O=S(=O)(NCC1(c2ccccc2)CCOCC1)c1cccc2ccccc12 16971981 GUDSCFFNKPZSCK-UHFFFAOYSA-N 381.497 3.867 0 40 GHAB COc1cccc(CNC2CCC3(CCC(=O)N3Cc3ccncc3)CC2)c1 2055816073 RHVFDGFRRHLWNF-UHFFFAOYSA-N 379.504 3.684 0 40 GHAB Cc1nc2ccccc2n1C1CN(C(=O)Cc2ccccc2Br)C1 1775974706 ZXTCUWLRSHGULA-UHFFFAOYSA-N 384.277 3.733 0 40 GHAB O=C(NC[C@H](c1cccc2ccccc12)N1CCOCC1)c1ccc(F)cc1 23106421 YEWIIUSJNPGNGQ-JOCHJYFZSA-N 378.447 3.782 0 40 GHAB COc1ccccc1CCNC(=O)Cc1cc(-c2cc3ccccc3o2)on1 23127276 AUQNLFZGFZVKID-UHFFFAOYSA-N 376.412 3.998 0 40 GHAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)Nc4ccc(Cl)cc4)cnc3c2c1 35423914 WMOSFINAIWVLQY-UHFFFAOYSA-N 380.835 3.868 0 40 GHAB Cc1nn(CCNS(=O)(=O)/C=C/c2ccccc2)c(C)c1-c1ccsc1 575615280 NGFAQTVMFIEWFS-UKTHLTGXSA-N 387.530 3.819 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 40040420 OVVREQMAWSYCBZ-KRWDZBQOSA-N 378.407 3.693 0 40 GHAB CN(C)[C@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1Cl 40050645 DCCFSUIDWZDUIS-GOSISDBHSA-N 386.858 3.902 0 40 GHAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 30597809 BQMNXGZXHAAXMU-UHFFFAOYSA-N 392.908 3.904 0 40 GHAB Cc1cc(N(C)C)ccc1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 40111645 JUSNINDZBIMDGB-UHFFFAOYSA-N 389.381 3.913 0 40 GHAB C[C@@H](C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)S(C)(=O)=O 40129052 UOCIOTPDSQYURP-ZDUSSCGKSA-N 386.498 3.849 0 40 GHAB CNc1ccc(OC)cc1/C=C(\C[P@](=O)(O)CCc1ccccc1)C(=O)O 32123895 VMQVBCICLPSOPQ-SFQUDFHCSA-N 389.388 3.718 0 40 GHAB biogenic C[C@H](NC(=O)c1ccccc1NC(=O)CCN1CCSC1=O)c1ccccc1 32784677 YVDXMGGXVIWUMA-HNNXBMFYSA-N 397.500 3.675 0 40 GHAB O=C(Nc1nc(CC(=O)N(Cc2ccccc2F)C2CC2)cs1)c1ccco1 32741317 QZGMVKGILJLWFT-UHFFFAOYSA-N 399.447 3.861 0 40 GHAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 32770847 AUAAMQIBDVUHDN-UHFFFAOYSA-N 389.452 3.588 0 40 GHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=S)N[C@H]1C[C@H]2CC[C@H]1C2 102413048 AFBVUYYVLLQLQW-MJVIPROJSA-N 386.348 3.927 0 40 GHAB CCc1nc(C)c2c(C)c(C(=O)N(C)C[C@@H]3COc4ccccc4O3)sc2n1 32903402 SKVBHOAMNXIPMN-CQSZACIVSA-N 397.500 3.783 0 40 GHAB CCOC(=O)N1CCN(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)CC1 32901644 LDSZTFNRJPFVGC-VAWYXSNFSA-N 394.471 3.580 0 40 GHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccnn1C(C)C 22292260 DKQOLYXQOGSFNY-UHFFFAOYSA-N 376.464 3.848 0 40 GHAB C[C@@H](NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 22877167 XSJIWDABDFHBHM-MTCRFPMVSA-N 397.950 3.848 0 40 GHAB O=C1C(=O)N(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc21 23873430 OUJJENWCZFOSOI-CQSZACIVSA-N 377.469 3.663 0 40 GHAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 852086 QHBOLETWBUDYPZ-IZZDOVSWSA-N 399.497 3.904 0 40 GHAB CCOc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccccc23)ccc1F 1430060 RITVQZGRFNYVKP-UHFFFAOYSA-N 376.453 3.535 0 40 GHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(c1nncs1)C3=O 2235252 ZCXRXPBQOPXIQW-INIZCTEOSA-N 375.409 3.703 0 40 GHAB CCn1c(SCc2ccccc2)nc2nc3c(cc2c1=O)COC(C)(C)C3 2397131 AXBDMIVZJXKWJV-UHFFFAOYSA-N 381.501 3.955 0 40 GHAB CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(CC)CC)c2)cc1 3022530 VTHHXXXSHOYDFE-UHFFFAOYSA-N 394.468 3.507 0 40 GHAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)/C=C/c1cnc2ccccc2n1 3315410 CMUFRJFXVSUKGJ-OUKQBFOZSA-N 389.455 3.623 0 40 GHAB O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1F 3581632 YAODSCSYWRMKEK-UHFFFAOYSA-N 386.452 3.611 0 40 GHAB CC(=O)N[C@H](CC(=O)OCc1cc(=O)oc2c(C)c(C)ccc12)c1ccccc1 4220026 PRWMUEODFSEWBT-HXUWFJFHSA-N 393.439 3.721 0 40 GHAB O=C(CSc1nnc(Cc2ccccc2)c(O)n1)Nc1ccccc1Cl 4317347 QUVMXUVDDFZLCC-UHFFFAOYSA-N 386.864 3.552 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 4610534 FTONCNMPVGFBOY-SFHVURJKSA-N 394.471 3.862 0 40 GHAB COC(=O)c1cccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccco2)c1 4888025 FNISCRSOPZRMQU-YQQQUEKLSA-N 397.475 3.773 0 40 GHAB C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)OCC(N)=O)c2C1 5203305 HQMKCRRTFZEMAV-UROBUVALSA-N 376.412 3.593 0 40 GHAB CCc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(OC)nn3)c2)s1 5204199 BILSEVNKXHOIMS-UHFFFAOYSA-N 375.475 3.577 0 40 GHAB COc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1Cl 5438526 HSNVZEKCTSMXBB-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCC[C@H](C)C1 5499412 GBZFOGVNOLRSEP-QWHCGFSZSA-N 375.444 3.543 0 40 GHAB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc(C)cc1 6169112 XIKJUPDQPQIEOI-UHFFFAOYSA-N 396.516 3.837 0 40 GHAB CCN1C(=O)S/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)C1=O 6325779 BWDLOEFFTKSWGT-SFQUDFHCSA-N 383.425 3.971 0 40 GHAB CC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 6510829 YDHYNXGIZMUOFY-UHFFFAOYSA-N 383.407 3.841 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2ccc(C(=O)O)cc2)c1 6613481 PLXOUVIDZPEUFD-UHFFFAOYSA-N 386.473 3.709 0 40 GHAB COc1ccccc1-n1c(SCC(=O)c2ccc[nH]2)nc2ccccc2c1=O 6648416 WADYSIDZEDXBAJ-UHFFFAOYSA-N 391.452 3.697 0 40 GHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1ccc(Cl)cc1 6787603 YYJWURMJMQGWOG-UHFFFAOYSA-N 375.837 3.501 0 40 GHAB O=C(O)c1csc(-n2nc(/C=C/c3ccccc3O)cc2C(F)(F)F)n1 6863671 BEWZEDXXITXGMP-AATRIKPKSA-N 381.335 3.922 0 40 GHAB CCc1cccc(CC)c1N1C[C@H](C(=O)O[C@H](C)C(=O)c2ccccc2)CC1=O 7881501 AOJAQIRWBILRNC-OXQOHEQNSA-N 393.483 3.979 0 40 GHAB COCCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2)n1 8476266 QOTUSFHQJVCHHP-UHFFFAOYSA-N 384.867 3.662 0 40 GHAB CCCn1nc(NS(=O)(=O)c2ccc(F)cc2)c2cc3ccccc3nc21 9088466 AKDGUPKFBJDDHU-UHFFFAOYSA-N 384.436 3.934 0 40 GHAB O=C1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)n2c(nc3ccccc32)N1 9109020 FYNYNBNYRMMIPX-CQSZACIVSA-N 375.215 3.865 0 40 GHAB C1=CC[C@H]([C@H]2N=C3NCN(Cc4ccco4)CN3c3nc4ccccc4n32)CC1 9262488 AVFKSGOCVPGUKG-JXFKEZNVSA-N 388.475 3.681 0 40 GHAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnc2nc(-c3cccnc3)nn12 9306398 XYPBVMJPKBCITO-UHFFFAOYSA-N 398.348 3.766 0 40 GHAB Cc1cccc(N(Cc2ccccc2)C(=O)Cn2c(=O)cnc3ccccc32)c1 9578396 DAQGLZGEKAGUNF-UHFFFAOYSA-N 383.451 3.938 0 40 GHAB O=C(c1ccco1)N1CCC[C@H](c2nc(O)c3c4c(sc3n2)CCCC4)C1 12144826 KABCECPYNKVQAV-LBPRGKRZSA-N 383.473 3.889 0 40 GHAB O=C(c1ccc(F)cc1)N1CCCc2cc([C@@H](O)CN3CCCCC3)ccc21 12291340 MOVJLMARBMNQKN-QFIPXVFZSA-N 382.479 3.938 0 40 GHAB Cc1ccc(NC(=O)c2csc(NS(=O)(=O)c3cccs3)n2)cc1F 12627902 MEAIXJNFOCSYGX-UHFFFAOYSA-N 397.478 3.705 0 40 GHAB COc1cccc(CNC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)c1 12731673 WBSVDUNKVGJQOS-UHFFFAOYSA-N 392.484 3.788 0 40 GHAB CC(C)[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)OCCCO2 12771388 CHBQFWBHPDASRS-FQEVSTJZSA-N 375.490 3.665 0 40 GHAB O=C(Nc1ccccc1)c1nnc(CSc2ncn(-c3ccccc3)n2)s1 12790748 VEFMDYKMZBXLMB-UHFFFAOYSA-N 394.485 3.663 0 40 GHAB CCCCN(C)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C)c(C)c2)cc1 12989142 DGTMEGJCGKQNCE-UHFFFAOYSA-N 388.533 3.654 0 40 GHAB O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C1 13020446 ZBYLKXAAYMTQMF-HNNXBMFYSA-N 393.512 3.667 0 40 GHAB O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)c3cccs3)cc21 13696193 KGGMMZIJQZWTOK-UHFFFAOYSA-N 390.511 3.813 0 40 GHAB CC[C@H](C(=O)Nc1ccc(OC(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 13711629 DZEXHQNQELHGIK-LJQANCHMSA-N 390.505 3.657 0 40 GHAB CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccccc3CC)cn2)cc1 13809265 BOWOCWZBHWCWKY-UHFFFAOYSA-N 377.444 3.510 0 40 GHAB CC(C)C(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(C)(=O)=O)C[C@H]1C 14607291 HZGNBFCYRNEQEU-UZLBHIALSA-N 386.517 3.975 0 40 GHAB COc1ccc(NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1Cl 14856937 GGRYJZQTHRPKQM-UHFFFAOYSA-N 391.880 3.766 0 40 GHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 15003077 PMMUBXZQFQJYCB-UHFFFAOYSA-N 377.771 3.560 0 40 GHAB COc1ccc(OC)c(NC(=S)Nc2cc(OC)c(OC)c(OC)c2)c1 17077381 DJAZUFHPLBSAQA-UHFFFAOYSA-N 378.450 3.539 0 40 GHAB Cc1sc2ncnc(N3CCC(C(=O)N[C@@H](C)c4ccco4)CC3)c2c1C 18209781 FUBRSQLHTUHUQM-ZDUSSCGKSA-N 384.505 3.995 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@H](c3nc(C)cc(-c4cccs4)n3)C2)cn1 19117873 BCWUTQSICSHPII-HNNXBMFYSA-N 379.489 3.632 0 40 GHAB COc1cc(CCC(=O)N2CCCC[C@@H]2c2nc3cc(C)c(C)cc3[nH]2)on1 19125279 OKFIZZCNEKIYBY-GOSISDBHSA-N 382.464 3.863 0 40 GHAB CC(=O)N1CCc2cc(NC(=O)[C@@H](C)Cn3c(C)nc4ccccc43)ccc21 19286744 PSBXUTQMJGYDLP-AWEZNQCLSA-N 376.460 3.529 0 40 GHAB CCCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2F)(C(=O)NC)C1 19501064 AAOQWYOSLXDWCE-QHCPKHFHSA-N 382.479 3.800 0 40 GHAB Cc1noc2nc(C3CCN(C(=O)c4cccnc4)CC3)cc(C(F)(F)F)c12 19564905 YDHCVOOESSIIGF-UHFFFAOYSA-N 390.365 3.965 0 40 GHAB CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1n[nH]c2c1CCCC2 19589100 CCMHTLHTDAZRDH-WPYKKVEZSA-N 392.547 3.771 0 40 GHAB Cc1c(Cl)cccc1N1C(=O)C[C@H](NCCc2c[nH]c3ccccc23)C1=O 20101030 ADLGXZQYUVZHKK-SFHVURJKSA-N 381.863 3.594 0 40 GHAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 20111231 XQQSFZCCVLDHKQ-LSDHHAIUSA-N 375.490 3.768 0 40 GHAB Cc1cc(O)c2c(CN3CCN(c4cccc(Cl)c4)CC3)cc(=O)oc2c1 20503670 LIHGUFHIHCCZQO-UHFFFAOYSA-N 384.863 3.783 0 40 GHAB biogenic COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1Cl 21143423 WYNCMBXGJGFWEO-CQSZACIVSA-N 388.851 3.510 0 40 GHAB Cc1cccnc1NC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 21893427 HREXTUBXCKHELI-LBPRGKRZSA-N 388.518 3.565 0 40 GHAB COc1cccc([C@H](CNC(=O)CSC)c2c[nH]c3ccccc23)c1OC 22689540 JVVYUNFZRZWPPS-KRWDZBQOSA-N 384.501 3.796 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)N(C)Cc1nc2ccccc2n1C(F)F 23018980 SLPSWVCRCXCGHQ-UHFFFAOYSA-N 383.395 3.700 0 40 GHAB Cc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 23157760 BPXUOULXXLAUFS-HFAKWTLXSA-N 392.912 3.657 0 40 GHAB Cc1ccccc1NC(=S)N[C@@H](C)[C@H](c1cccs1)N1CCOCC1 23182171 GAZVSJWYGOUUHF-MAUKXSAKSA-N 375.563 3.805 0 40 GHAB CC(C)n1nccc1NC(=O)[C@H](C)N(C)Cc1ccc(Br)cc1 23819619 GDRQOIUQHWVKIZ-ZDUSSCGKSA-N 379.302 3.686 0 40 GHAB COc1ccccc1NC(=O)C1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 26100899 ZPGGDYDPLPJYHN-UHFFFAOYSA-N 378.472 3.675 0 40 GHAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc5c(c4)CCO5)cs3)ccc21 28685934 VUPXQKNLZDHEJG-UHFFFAOYSA-N 391.456 3.762 0 40 GHAB COc1cc(OC)c(OC)cc1CNCc1cccc(OCc2ccccn2)c1 30545400 PSRRZVZNPXCODC-UHFFFAOYSA-N 394.471 3.976 0 40 GHAB CCc1nnc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)s1 30568710 YVJBENUBEMABOC-UHFFFAOYSA-N 377.857 3.765 0 40 GHAB CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNS(=O)(=O)c2ccccc2)C=C1C 30882318 ABLDZBMNYXWCST-BJLQDIEVSA-N 393.549 3.773 0 40 GHAB biogenic,in-vitro C[C@H](NC(=O)c1ccc(Cl)c(I)c1)c1ccncc1 32479629 VXBQXDFTOBPIBL-VIFPVBQESA-N 386.620 3.831 0 40 GHAB COc1ccccc1COC[C@H](O)Cn1c(C(F)(F)F)nc2ccccc21 32907308 MWDVPJOGOTWIOG-CQSZACIVSA-N 380.366 3.641 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1ncc(-c2ccc(Cl)cc2)nc1=O 33324648 NRIITNNZLJTRNE-NSHDSACASA-N 389.242 3.812 0 40 GHAB COc1ccc(/C(=C\C(=O)O)c2nccc3cc(OC)c(OC)cc23)cc1OC 33775969 LZVIVIHUEWKDLV-FOWTUZBSSA-N 395.411 3.786 0 40 GHAB biogenic O=C(CSc1ncnc2nc(N3CCCC3)sc12)Nc1ccc(F)cc1 35533129 OXOSUWWDOYWZEA-UHFFFAOYSA-N 389.481 3.556 0 40 GHAB COc1cccc(-c2cc(C(F)F)c3c(n2)sc2c(O)nc(=O)[nH]c23)c1 36359767 YOVZFJDVJQIAAU-UHFFFAOYSA-N 375.356 3.852 0 40 GHAB CCOC(=O)c1cc(CC)sc1NC(=O)c1cncc(Br)c1 36726924 APHMGXXNVUEPNV-UHFFFAOYSA-N 383.267 3.897 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40129700 JQGBOQISAJEHKT-GFCCVEGCSA-N 397.281 3.798 0 40 GHAB COc1ccccc1CNC(=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 40139385 CMAAVGZJLBLPRR-OAQYLSRUSA-N 389.455 3.874 0 40 GHAB Cc1csc2nc(COc3ccccc3NC(=O)c3cccs3)cc(=O)n12 41077394 HXTZHLMXVCSHKQ-UHFFFAOYSA-N 397.481 3.957 0 40 GHAB CCCCn1c(=O)[nH]c2cc(-c3nc(-c4ccccc4Cl)no3)ccc2c1=O 57510615 BJXGZUKHTCFCHM-UHFFFAOYSA-N 396.834 3.860 0 40 GHAB CCc1cc(=O)n(CC(=O)N(C)C2CCCCC2)c(-c2cccc(Cl)c2)n1 57527657 NFAXGPDIGWPBMZ-UHFFFAOYSA-N 387.911 3.917 0 40 GHAB COc1cc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)ccc1C 60346860 QFLBHAGZPNNRPV-UHFFFAOYSA-N 384.501 3.753 0 40 GHAB Cc1cccc(NC(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)c1C 65448843 MMGBWRULCAUHKT-UHFFFAOYSA-N 385.895 3.876 0 40 GHAB O=C(N1CCC(n2cncn2)CC1)C1(c2cccc(C(F)(F)F)c2)CCCC1 65476974 KEAYCHSUZJKQBB-UHFFFAOYSA-N 392.425 3.972 0 40 GHAB O=C(NC1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)CC1)c1cccnc1 65511908 MXNLDOWMMSGDNJ-UHFFFAOYSA-N 397.906 3.578 0 40 GHAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)c(F)c1 67298748 LDZBFXVNGIUWPM-WGJYXZIMSA-N 396.418 3.727 0 40 GHAB CC(C)c1ccc(S(=O)(=O)c2cnc(N(C)C3CCCCC3)nc2N)cc1 71328249 DLOKLGKDBJUXFO-UHFFFAOYSA-N 388.537 3.784 0 40 GHAB O=C(Nc1ccccc1Cl)c1cccn2c(I)cnc12 79022921 OIFKDISTGJYPQA-UHFFFAOYSA-N 397.603 3.845 0 40 GHAB Cc1nnc(SCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)s1 84296735 GEZXHSVTYOATRX-HNNXBMFYSA-N 396.969 3.545 0 40 GHAB O=C(c1cc(C2CC2)on1)N1CCO[C@H](c2ccc(Br)cc2)C1 84393621 QAUVBLPHVHLTMD-INIZCTEOSA-N 377.238 3.528 0 40 GHAB O=C(NCCc1csc(-n2cccn2)n1)Nc1ccccc1C(F)(F)F 90609529 JOTXFBNMLIMNGG-UHFFFAOYSA-N 381.383 3.712 0 40 GHAB Cc1cc(S(=O)(=O)Nc2cccc3c2CN(CC(C)C)C3)cnc1Cl 95455178 OKUGWERFOPFZFK-UHFFFAOYSA-N 379.913 3.816 0 40 GHAB Cn1cc(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)c2ccccc23)cn1 96052528 HFMYMKBVSUIUKL-UHFFFAOYSA-N 386.499 3.501 0 40 GHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)Oc2ccccc21 96053331 ZYPPNEOJOLEAMD-QGZVFWFLSA-N 396.487 3.735 0 40 GHAB O=C(C[C@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21)NC1CC1 96053414 MYNPGJIGAMUWPK-KRWDZBQOSA-N 380.488 3.849 0 40 GHAB Cc1ccc(OCCSc2nc3c(N)ncn(Cc4ccccc4)c-3n2)cc1 100313777 SYEUXUPLWIMQPM-UHFFFAOYSA-N 391.500 3.888 0 40 GHAB CCc1ccc(N2C(=O)[C@H]3N=NN(c4cccc(C(F)(F)F)c4)[C@H]3C2=O)cc1 101260500 AVCPPPGGYBEPEZ-JKSUJKDBSA-N 388.349 3.766 0 40 GHAB C[C@@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118914665 KFMBVCVREUOCAU-QSAQTLSBSA-N 376.537 3.864 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(OC)c1OC 219022454 WUUIPNGPRWXRFI-OAHLLOKOSA-N 395.455 3.949 0 40 GHAB CC[C@@H](NC(=O)CSCc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 222712553 HSQFUWDLFVDTFB-GOSISDBHSA-N 395.521 3.730 0 40 GHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 222935296 WGHUKMUXZSRDJW-NHCUHLMSSA-N 391.544 3.955 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)cc1 223638355 ZETQBHSBOKFBBH-INIZCTEOSA-N 388.895 3.581 0 40 GHAB Cc1ccccc1CN(C(=O)Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C 224143106 QOTONVRFONMWLM-SFHVURJKSA-N 384.495 3.866 0 40 GHAB CCOc1ccc(-c2noc(CN(C)C(=O)Cc3cccc(Cl)c3)n2)cc1 224518837 XUABYDWXOPXHNT-UHFFFAOYSA-N 385.851 3.990 0 40 GHAB CCc1ccc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 225694712 VIRWDCANIKDSCH-LJQANCHMSA-N 396.531 3.612 0 40 GHAB O=S(=O)(NCc1ccc(-c2cccnc2)nc1)c1cccc2ccccc12 225766567 MHYFQZQRJDUPAI-UHFFFAOYSA-N 375.453 3.775 0 40 GHAB COc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(Br)c2)cc1 226243976 NBCSUPKCQKLBIO-UHFFFAOYSA-N 395.278 3.599 0 40 GHAB O=C(c1cccc(Cl)c1)N1CC[C@H](Oc2ncccc2Br)C1 238934008 VIBWZRDREPOMFP-ZDUSSCGKSA-N 381.657 3.791 0 40 GHAB CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1cc(Cl)ccc1Cl 244324488 XKIKFWZTNILFCM-UHFFFAOYSA-N 393.336 3.598 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)N(Cc2ccncc2)C2CC2)[C@@H]1c1ccccc1F 257294213 QTCABTRMLLKAFT-KNQAVFIVSA-N 395.478 3.712 0 40 GHAB CC1CCN(C(=O)CN2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)CC1 257340086 ZEKLOMQRYRKCNJ-QFIPXVFZSA-N 397.494 3.520 0 40 GHAB COc1ccc(CSCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 408563230 KHZJGJZHUNCZLN-UHFFFAOYSA-N 384.545 3.894 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c(C)c1 408583980 LAUAXMMODYJCFD-UHFFFAOYSA-N 375.494 3.882 0 40 GHAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)NCc3ccccc3)c2)o1 409182810 ORCNCRYOAXUTLE-UHFFFAOYSA-N 397.814 3.886 0 40 GHAB Cc1cc(Cl)cc2cc(-c3noc(-c4cn(C[C@H]5CCOC5)nn4)n3)oc12 528179501 ODDGICGEEKPFBP-LLVKDONJSA-N 385.811 3.740 0 40 GHAB COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2cccnc2C)CC1 570533063 OZIVKGNEBGNOGK-UHFFFAOYSA-N 378.476 3.502 0 40 GHAB O=C(NCCC1=CCCCC1)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 575611861 YRLHQQKNHBZHDY-FQEVSTJZSA-N 398.528 3.571 0 40 GHAB C[S@](=O)[C@H]1CCC[C@H](NCc2ccc(Br)c3cccnc23)C1 594963433 VLVSIEDJWMAHQB-OKHZJLECSA-N 381.339 3.777 0 40 GHAB CNC(=O)c1cc(Oc2ccc(N[C@@H]3CCCn4ccnc43)cc2F)ccn1 655769411 HRPJEVRVQFXRLU-MRXNPFEDSA-N 381.411 3.516 0 40 GHAB C=CC(=O)Nc1cc(NC(=O)c2cc3c(nc2O)CCC(C)(C)C3)ccc1F 1253392715 HYPHBDIEBUSUIE-UHFFFAOYSA-N 383.423 3.818 0 40 GHAB CN(C(=O)Cn1ccc(C(F)(F)F)n1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 1535080175 JXRKEDZDQIODKV-HOTGVXAUSA-N 381.398 3.606 0 40 GHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCCN([C@@H]2CCSC2)CC1 1565522617 LSRKZSSSPJVLKS-MRXNPFEDSA-N 382.957 3.537 0 40 GHAB Oc1cc([C@H]2CCN(Cc3ccc(Oc4ccccc4)c(F)c3)C2)nc(O)n1 1659235015 GVOSDQIIWILZJK-HNNXBMFYSA-N 381.407 3.809 0 40 GHAB CCc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3cccs3)o2)s1 1775966947 VETSPNHUTGQVTG-GFCCVEGCSA-N 383.516 3.644 0 40 GHAB Brc1cnccc1O[C@H]1CCN(c2cc(C3CCC3)ncn2)C1 1776008267 BDMRVIMFNJXTTI-ZDUSSCGKSA-N 375.270 3.559 0 40 GHAB CCOc1ccc(CN2CCC3(CC2)CC(=O)N(C)Cc2ccccc2N3)cc1 2037978112 BMXIGSMHJSHSEU-UHFFFAOYSA-N 393.531 3.894 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Cl)n(C)c1 24474002 NPPPUDARXRMLQG-UHFFFAOYSA-N 397.928 3.578 0 40 GHAB O=c1c(-c2nc(-c3ccsc3)no2)cccn1CCOc1ccc(F)cc1 77100860 KCCHVYXRROWDAT-UHFFFAOYSA-N 383.404 3.845 0 40 GHAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)n2ncnc2N1 949703 XQXNODMVMVJBNU-GOSISDBHSA-N 380.835 3.964 0 40 GHAB C[C@H]1CN(Cc2ccc(C(=O)N3CCC[C@@H]3c3ccncc3)cc2)C[C@@H](C)O1 25094413 UNUIJOJNELQMBK-KGVIQGDOSA-N 379.504 3.668 0 40 GHAB C[C@H]1Sc2ccccc2N(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H]1C 79105644 OKTOOHYSOLGZFO-CHWSQXEVSA-N 388.514 3.649 0 40 GHAB CCc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc3cccnc23)cc1 2751351 QOSCOTGFUZDRLR-UHFFFAOYSA-N 390.439 3.942 0 40 GHAB CC(=O)[C@@H]1C[C@H](CC(=O)NC(=S)Nc2ccc(Br)cc2)C1(C)C 3101756 AJXAZWSGDCCIBF-RISCZKNCSA-N 397.338 3.904 0 40 GHAB CC(=O)c1cccc(NC(=O)/C(=C/c2ccncc2)NC(=O)c2ccccc2)c1 4854916 BNTASPKWKBHCAK-STZFKDTASA-N 385.423 3.694 0 40 GHAB C[C@H]1CCCCN1C(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 4986585 SOEYBRBQDBDNCJ-KRWDZBQOSA-N 375.472 3.945 0 40 GHAB C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NC1CC1 4994097 YMBZEAXNTUDMNS-CQSZACIVSA-N 376.485 3.965 0 40 GHAB CCOc1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 6595778 PNLPJDBNBJFIEJ-ZDUSSCGKSA-N 396.896 3.532 0 40 GHAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 6766803 KLEYRQYVSCOFMK-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C(C)C)cc1 35374838 MKJNKRVPLAQUIO-VXKWHMMOSA-N 393.531 3.604 0 40 GHAB COc1ccccc1[C@H](C)NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 8313341 DYFYMAGTZVLNOA-AWEZNQCLSA-N 393.439 3.547 0 40 GHAB Cc1ccccc1C(=O)CN(C1=NCCCS1)c1ccc2c(c1)OCCO2 8415612 PXOFLOAGBKHLMB-UHFFFAOYSA-N 382.485 3.948 0 40 GHAB COCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2cc(Cl)ccc2C)n1 8476774 WUKLEFAHSKFXIH-UHFFFAOYSA-N 384.867 3.581 0 40 GHAB Cc1cc([C@@]2(C)NC(=O)N(Cc3nc4ccccc4n3C(F)F)C2=O)c(C)o1 58178698 ZULQOAWDINMSTB-LJQANCHMSA-N 388.374 3.608 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1cccc(F)c1 10229865 IUYJWAVULUJXPN-UHFFFAOYSA-N 396.369 3.769 0 40 GHAB Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(O)cc4)CC3)c2c1C 36365776 IHMZAFLESOLPRA-UHFFFAOYSA-N 382.489 3.869 0 40 GHAB COc1ccc(OCc2ccc(C(=O)NCCCn3nc(C)cc3C)o2)cc1 28238427 XDGHBCIEFNTCLK-UHFFFAOYSA-N 383.448 3.501 0 40 GHAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1ncc(-c2ccc(Cl)cc2)o1 11380096 RDMZDZUUCZUHCH-OAQYLSRUSA-N 393.830 3.889 0 40 GHAB Cc1ccc(CNC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 2413608 LLZPXZFBKCKOIF-UHFFFAOYSA-N 386.521 3.929 0 40 GHAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(OC)cc1 2438096 GMEIULNPYNXJAW-UHFFFAOYSA-N 388.518 3.690 0 40 GHAB CCc1ccc([C@@H](C)NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12284524 QCOKDFHRSWSQOQ-NQIIRXRSSA-N 393.531 3.777 0 40 GHAB CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccccc1 2890451 URWXBLZFNZOJCM-IBGZPJMESA-N 396.874 3.943 0 40 GHAB Cc1cc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)no1 56903846 MCSVJWJEYKXCEW-HNNXBMFYSA-N 397.866 3.949 0 40 GHAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 3252567 JCPVFSKGIIVYIS-UHFFFAOYSA-N 383.425 3.765 0 40 GHAB CCn1nc(C(=O)OCc2cccc(C(F)(F)F)c2)c2ccccc2c1=O 3284498 PSYKOJQPRCLAQU-UHFFFAOYSA-N 376.334 3.792 0 40 GHAB CCN(CC)CCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 3236130 YHVNCEHTUOHKMQ-UHFFFAOYSA-N 399.516 3.928 0 40 GHAB CN(CCC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1ccccc1Cl 12762217 KOWHGESHOPLHOL-UHFFFAOYSA-N 380.275 3.893 0 40 GHAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)o1 3372346 DLGWQGSDXLFCCX-UHFFFAOYSA-N 396.424 3.710 0 40 GHAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)Nc1ccc(Br)cc1)C(=O)C2 100890757 FLEWWQHYBILAML-BZNIZROVSA-N 386.311 3.586 0 40 GHAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1ccc2ccccc2c1 3450469 YQWKKSNXELEBPC-UHFFFAOYSA-N 384.819 3.880 0 40 GHAB CC(C)[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccc2c(c1)OCCCO2 12997506 OKZPAZOPQCZKRH-LJQANCHMSA-N 397.443 3.802 0 40 GHAB CC(C)c1ccc(C(=O)CSc2nnc(-c3ccco3)n2CCC(N)=O)cc1 12982107 RTNUAUZUJDNKMS-UHFFFAOYSA-N 398.488 3.512 0 40 GHAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118933582 UCCSDQHGWDGDPS-QSAQTLSBSA-N 378.553 3.786 0 40 GHAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(C)c2)cc1 9237316 NDOZLXRTFRSSJG-ZWKOTPCHSA-N 379.489 3.601 0 40 GHAB COc1ccccc1[C@@H]1CC(=O)N(c2cccc(F)c2)c2c1sc(=O)n2C 49548182 YLMGYUVAHCLTLY-HNNXBMFYSA-N 384.432 3.795 0 40 GHAB O=C(OCc1ccccc1C(F)(F)F)c1ccc(N2C(=O)CCC2=O)cc1 39477217 FVNSDLBTQYOXRD-UHFFFAOYSA-N 377.318 3.716 0 40 GHAB O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC(C(=O)N2CCCC2)CC1 39536486 PVDNFIWXXGSVTP-UHFFFAOYSA-N 379.504 3.521 0 40 GHAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1c(Cl)cccc1C(F)(F)F 5036935 GWTMAGXTULUDLS-UHFFFAOYSA-N 399.735 3.790 0 40 GHAB CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(C(F)(F)F)c2)C[C@H]1C(=O)O 39954183 VFLUPEOVUJOYOE-STQMWFEESA-N 375.343 3.547 0 40 GHAB O=C(C[C@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1cccnc1 9481260 SERUNDFOCHLDEE-VFUOJUBFSA-N 384.435 3.602 0 40 GHAB CNC(=O)/C(=C/c1cc2ccc(C)cc2nc1Cl)NC(=O)c1ccccc1 5345172 RMUFJLJPIWULMQ-PDGQHHTCSA-N 379.847 3.714 0 40 GHAB Cn1c2c(sc1=O)[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2c1ccc(F)cc1 66089783 XFVGESSCLRWJJA-CQSZACIVSA-N 398.415 3.515 0 40 GHAB C[C@@H]1NC(=O)N[C@H]1CCCCCC(=O)NC(c1ccccc1)c1ccccc1 4690248 MJLWFWCJUSOXEQ-PXNSSMCTSA-N 379.504 3.913 0 40 GHAB Cc1ccc(NC(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1C 409144608 LXVXZEOFTLNESD-UHFFFAOYSA-N 387.288 3.527 0 40 GHAB COC(=O)CCCCCOc1ccc(NC(=O)COCc2ccccc2)cc1 114672030 VUMWNJNHQFPOTN-UHFFFAOYSA-N 385.460 3.954 0 40 GHAB CC(C)c1ccc(-n2nnnc2S[C@H](C(=O)N(C)C)c2ccccc2)cc1 6850252 LKBLPENBEAJGOX-SFHVURJKSA-N 381.505 3.707 0 40 GHAB COC(=O)c1sc2nc(/C(Cl)=C/c3cccc(O)c3)[nH]c(=O)c2c1C 5827435 UJQXFPNJCQWQBE-XFFZJAGNSA-N 376.821 3.522 0 40 GHAB Cc1csc(NC(=O)COC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 71886873 GPXGBIXRSLSVPA-RYUDHWBXSA-N 384.379 3.756 0 40 GHAB O=C(Nc1ccc(Cc2ccncc2)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 96590506 IIPFDURHFNRRRX-NRFANRHFSA-N 385.467 3.660 0 40 GHAB COc1ccc([C@H](CNC(=O)c2cccc(N(C)C)c2)N2CCCCC2)cc1 7990600 FKUBGPJHBHXRLL-QFIPXVFZSA-N 381.520 3.718 0 40 GHAB Cc1cc(CSc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)no1 8312475 OBRBBVZOFZQTDD-UHFFFAOYSA-N 382.441 3.934 0 40 GHAB CSc1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)o3)n2)cc1 95958929 VDBITUXCNHMTBU-UHFFFAOYSA-N 394.499 3.781 0 40 GHAB Cc1ccc(CN2C[C@H]3[C@@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)s1 306135471 ORXZMWIGRJASHV-RBUKOAKNSA-N 398.557 3.704 0 40 GHAB Cn1ccnc1[C@H](NC(=O)COc1ccc(F)cc1Cl)c1ccc(F)cc1 9115231 DOPFYFYXXHUEEU-GOSISDBHSA-N 391.805 3.636 0 40 GHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](C)c1cccc(OC)c1 97127741 SDXVIFUJKJZUHG-CQSZACIVSA-N 397.475 3.532 0 40 GHAB COCCn1ccc2c(NC(=O)Cc3ccc4c(c3)OCCCO4)cccc21 72400648 JCPAJMLKELNBGR-UHFFFAOYSA-N 380.444 3.630 0 40 GHAB Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(C)n1-c1nccs1 95980231 AJUQYVLUWFJCGL-OAHLLOKOSA-N 396.520 3.566 0 40 GHAB CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1cnn(-c2ccc(F)cc2)c1 22913683 VUBVPOOFDQJBAA-HSZRJFAPSA-N 393.510 3.893 0 40 GHAB C[C@H](CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1)c1ccccc1 408707297 MLFYIGULUHSBHI-LJQANCHMSA-N 386.495 3.855 0 40 GHAB CCc1ccc(NC(=O)[C@H](CC)N(c2ccccc2F)S(C)(=O)=O)cc1 113967934 FHULYMFFCOJUEK-KRWDZBQOSA-N 378.469 3.571 0 40 GHAB CN(c1ccccc1C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1 409350855 YVFDYCAVZPOTQH-UHFFFAOYSA-N 384.432 3.903 0 40 GHAB Cc1cc(Br)cc2c1CN(Cc1ccc3c(c1)NC(=O)CO3)CC2 512306975 WVPHVUCNLQEQNE-UHFFFAOYSA-N 387.277 3.647 0 40 GHAB CCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 408624479 QKCAQWWPNJFBKJ-UHFFFAOYSA-N 386.517 3.984 0 40 GHAB Cc1cc(OCC(=O)NCCCN(C)c2ccccc2)ccc1Br 218831254 FOYBCOMERUZZSG-UHFFFAOYSA-N 391.309 3.779 0 40 GHAB O=C(Nc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 35312263 AGLXYQHOBDMDPK-ZDUSSCGKSA-N 396.871 3.519 0 40 GHAB CCOC(=O)C1=C(C)N=C(SCC(C)C)N[C@@H]1c1ccc(OC)cc1OC 33643950 VWWCALFGUAXOLC-GOSISDBHSA-N 392.521 3.930 0 40 GHAB CC(C)n1ccc2ccc(C(=O)N3CCN(CCc4ccccn4)CC3)cc21 79473541 UEAHBCZQKMIVTQ-UHFFFAOYSA-N 376.504 3.618 0 40 GHAB COc1ccccc1Cc1cccc([C@H]2CCCN2C2CCN(C(C)=O)CC2)n1 72358194 JSXONVDHPOOIAL-HSZRJFAPSA-N 393.531 3.829 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)c(C)c1 223801334 OTAOEMADKPLZCH-UHFFFAOYSA-N 389.502 3.940 0 40 GHAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 222875561 MCVPENVIGLIJAP-SFHVURJKSA-N 384.545 3.683 0 40 GHAB CCCC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)(C)C 224156113 UHFLNWIPHJWDGM-CYBMUJFWSA-N 383.330 3.881 0 40 GHAB O=C(NCCCc1ccc(F)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 224203524 GOTRJPBJRYGIBK-PGMHBOJBSA-N 392.430 3.939 0 40 GHAB CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccco1 223047457 LICQDEVUMJKCAW-JOCHJYFZSA-N 376.456 3.556 0 40 GHAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 223990023 QUGKIQZJULLYMW-JOCHJYFZSA-N 396.531 3.961 0 40 GHAB CCOCc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1OC 224409257 RFCJTUUSDDCJFY-JXMROGBWSA-N 394.515 3.703 0 40 GHAB COc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc1Br 224874777 DUANCJDHRREFSC-UHFFFAOYSA-N 384.295 3.900 0 40 GHAB Cc1cccc(CN2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)n1 96239642 LTNZFWCAAAJMNC-LJQANCHMSA-N 376.426 3.662 0 40 GHAB CC(C)c1sc(Br)nc1C(=O)N1CCN(c2ccccc2)CC1 95479625 IPHHVNNWISKVMT-UHFFFAOYSA-N 394.338 3.991 0 40 GHAB CCc1cccc(NC(=O)N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccs3)C2)c1 96227695 HYSWCVSBPHBIJR-WIYYLYMNSA-N 383.517 3.871 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H](NCCCn2cccn2)C1 583652248 LIAFLPXVYOLYIV-UXHICEINSA-N 384.524 3.656 0 40 GHAB O=C(Nc1ccc(C(F)(F)F)cn1)c1cc(=O)c(OCc2ccccc2)c[nH]1 524734596 UJNXFHOLHGCNDB-UHFFFAOYSA-N 389.333 3.620 0 40 GHAB C[C@@H](NC(=O)Cc1coc2ccccc12)c1cc(F)ccc1N1CCN(C)CC1 585081694 IHYKWVGLDHVPQF-MRXNPFEDSA-N 395.478 3.744 0 40 GHAB COc1ccc(NC(=O)c2ccc3nccc(C)c3c2)c(C(=O)NC2CC2)c1 585081753 VEMNLKSWVLFPRF-UHFFFAOYSA-N 375.428 3.696 0 40 GHAB Cc1cnc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccsc4)o3)CC2)cn1 257328593 XGIOLFNFVMXWMX-HDJSIYSDSA-N 383.477 3.600 0 40 GHAB CNc1ncccc1CN1CC[C@@H](Cc2cccc(-c3c(C)noc3C)n2)C1 257251387 JQNLALNZGLVLFM-KRWDZBQOSA-N 377.492 3.855 0 40 GHAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4cncs4)C3)o2)cc1 257242318 IBWZYVDWVHQJEQ-HNNXBMFYSA-N 383.473 3.750 0 40 GHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(Cc1ccccn1)C3 257247151 IXSJBPCERMXKRF-AZUAARDMSA-N 380.488 3.841 0 40 GHAB CN1CCCC[C@@H](CNC(=O)c2ccc(Sc3ccccc3Cl)nn2)C1 628746525 DCOVGSWEXKAJQR-AWEZNQCLSA-N 390.940 3.743 0 40 GHAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21 663733588 FHQRSTPMLDDYOM-YPAWHYETSA-N 397.469 3.567 0 40 GHAB COc1cccc(CCN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)c1 585290035 QBOPULUPNAHJQP-PWRODBHTSA-N 375.896 3.842 0 40 GHAB Cc1nc(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)nn1-c1ccccc1C(C)C 68588207 FCBSEQSKURWBNI-RTBURBONSA-N 379.464 3.846 0 40 GHAB O[C@H](c1ccccn1)c1cccc(F)c1N1CCN(Cc2cccc(F)c2)CC1 72340706 MGBGDUFKQLJBKA-QHCPKHFHSA-N 395.453 3.764 0 40 GHAB CC1CCN([C@@H](C)CNC(=O)C2(c3cccc(Br)c3)CC2)CC1 60156444 CRXRQNJIWGEMPJ-HNNXBMFYSA-N 379.342 3.717 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1(c2ccccc2)CC1 12526271 ALKRCKLFPRFVJI-UHFFFAOYSA-N 399.497 3.614 0 40 GHAB COc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4ccc(C)cc4)nnc23)cc1 13635826 WMJYWEJZNDELPQ-UHFFFAOYSA-N 387.443 3.977 0 40 GHAB O=C(NCc1ccccn1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 13734877 GHAPNQVODCBQTL-UHFFFAOYSA-N 388.452 3.613 0 40 GHAB CC(C)c1cc(C(=O)N2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)[nH]n1 19451807 VZCWQBDWAWFQDB-CYBMUJFWSA-N 388.855 3.572 0 40 GHAB CCn1nc(C)c([C@@H](C)NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1C 19523749 KEEIUQLZLUNQBF-LLVKDONJSA-N 393.413 3.766 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3C[C@H]2C)o1 19829569 IGLUSVZGXFJMHJ-CYBMUJFWSA-N 381.457 3.815 0 40 GHAB COc1ccccc1CNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 10642369 NTQCJZOXJWDWEY-UHFFFAOYSA-N 386.455 3.882 0 40 GHAB Cc1nc(CN2CCCC3(CCN(C(=O)c4ccsc4)CC3)C2=O)cs1 1565542222 CBQAPTJXVFLQMF-UHFFFAOYSA-N 389.546 3.558 0 40 GHAB O=C(CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)NC1CCCCC1 5143135 PJQOIDMPYNSIRK-UHFFFAOYSA-N 393.516 3.870 0 40 GHAB CCOc1cccc2cc(C(=O)Nc3nnc(-c4ccc5c(c4)OCO5)o3)oc12 9701736 KFDOGIDMICEUNJ-UHFFFAOYSA-N 393.355 3.863 0 40 GHAB CC(C)c1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccn(C)n3)nc12 11695568 JUSWAGHDMHRCTI-AWEZNQCLSA-N 384.505 3.979 0 40 GHAB Cc1cc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)n(C(C)C)n1 11695201 VJTDOJZUULEPOF-UHFFFAOYSA-N 383.901 3.618 0 40 GHAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)Nc1ccc(Cl)cc1 22506112 MDESSENYVDOTGQ-UHFFFAOYSA-N 395.868 3.533 0 40 GHAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCN(Cc2ccccc2)CC1 22870650 NNLCUWXSTGBFRV-UNMCSNQZSA-N 382.548 3.758 0 40 GHAB O=C(c1cc(Br)ccc1Cl)N1CC[C@H](Oc2nccs2)C1 585320557 IFYAZHLHTCQNDE-JTQLQIEISA-N 387.686 3.853 0 40 GHAB COC(=O)c1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2C)cc1 10233096 YBUNESXHLCSCLU-KRWDZBQOSA-N 397.814 3.716 0 40 GHAB O=C(O)COc1cc(NC(=O)c2ccco2)ccc1-c1nc2ccccc2o1 20158318 QPMKPTVHGGBYGB-UHFFFAOYSA-N 378.340 3.804 0 40 GHAB O=C1C[C@@H](c2ccccc2)N(C(=O)/C=C/c2ccccc2Br)CCN1 40146833 FBIZBJUCYLVBOA-ZGKFYVQTSA-N 399.288 3.552 0 40 GHAB CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)nc1 40120887 VVFXPLAMVQLEHT-UHFFFAOYSA-N 395.551 3.710 0 40 GHAB Cc1nn(-c2ncccn2)c2c1[C@H](c1c(F)cccc1Cl)SCC(=O)N2 20729088 VHQZOKHMPZKXMR-OAHLLOKOSA-N 389.843 3.538 0 40 GHAB CCCOc1ccc([C@@H]2C=C(c3cccc(F)c3)Nc3nnnn32)cc1OC 102317277 BBPOBHUEPZFYPO-KRWDZBQOSA-N 381.411 3.666 0 40 GHAB NC(=O)c1ccsc1NC(=O)CCN1CCC(c2c[nH]c3ccccc23)CC1 32825231 ZKWDHSQTAWYFRH-UHFFFAOYSA-N 396.516 3.537 0 40 GHAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1)O[C@@H](C)C2 32870485 ZKDAJTJWFPEPLG-UONOGXRCSA-N 397.475 3.806 0 40 GHAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1 102775737 PCPBOQMHDAXSPD-QGZVKYPTSA-N 377.440 3.655 0 40 GHAB COc1ccc(F)cc1C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 103419286 SIYGOOQDHNOXMP-UHFFFAOYSA-N 381.407 3.904 0 40 GHAB Fc1ccc(Br)cc1CNCc1ccc(Cn2cncn2)cc1 42202706 SQSCZKBFZFGDAJ-UHFFFAOYSA-N 375.245 3.518 0 40 GHAB O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1ccccc1 956561 MJJPRAOWYFAOSX-UHFFFAOYSA-N 379.416 3.903 0 40 GHAB O=C1C(=O)N(CN2CCC[C@@H]2c2cccs2)c2ccc(Br)cc21 23805412 QBAFGGAWUOUUJD-CQSZACIVSA-N 391.290 3.835 0 40 GHAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCCCC3)cc2c1 888860 SIMCJJOQTKVNOO-HXUWFJFHSA-N 392.507 3.513 0 40 GHAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=S)N3CCCCC3)cc2)cc1 2801107 GMOOPZXRRNQRND-UHFFFAOYSA-N 375.515 3.924 0 40 GHAB CN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 3289136 GRNRKPGEZNTBJS-UHFFFAOYSA-N 393.409 3.860 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 6553247 KQIXBAWOIAACAH-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)s2)c(C)c1 6679648 LRDQBUODHFVGBO-UHFFFAOYSA-N 378.519 3.710 0 40 GHAB Cc1cccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccncc2)c1 6967822 MCVRSSONOLUQOT-UHFFFAOYSA-N 393.516 3.742 0 40 GHAB CC(=O)NCc1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)s1 7339382 VYGQNJAZTAXLLE-UHFFFAOYSA-N 398.484 3.614 0 40 GHAB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)c1ccccc1 7881578 OOCWHLQRQCFAMC-CRAIPNDOSA-N 385.847 3.898 0 40 GHAB COc1ccccc1-c1cc(COC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)on1 26286395 WYHHXGFPIYNMNH-RNODOKPDSA-N 381.384 3.622 0 40 GHAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1cc(Cl)c2c(c1)OCCCO2 58424444 XUFLGGHRZGAJAD-CJNGLKHVSA-N 386.879 3.869 0 40 GHAB CC(C)Cn1c(SCC(N)=O)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2247439 QDJUWSNGDFZOSQ-UHFFFAOYSA-N 397.544 3.512 0 40 GHAB CC1=C(NC(=O)c2noc3c2CCCCC3)[C@@H](C)NN1Cc1ccccc1C 20418472 MULOFLHNPDCUBP-OAHLLOKOSA-N 380.492 3.622 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1C 10986231 RIOBMYHQBFXTHG-UHFFFAOYSA-N 398.488 3.880 0 40 GHAB O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1C[C@H](O)c1ccccc1F 28920819 GMLFKACLBLCEFR-FQEVSTJZSA-N 387.414 3.845 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC 11615635 MPJMSXMXWBROCT-UHFFFAOYSA-N 384.866 3.768 0 40 GHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2ccccc2OC)CC1 20483913 LUOHYTGNYOJKDV-FQEVSTJZSA-N 382.504 3.818 0 40 GHAB CCOC(=O)C1=C(C)N(C)C(SC)=N[C@H]1c1ccc(Br)cc1 107623532 KJDJGBVWMQWGIB-AWEZNQCLSA-N 383.311 3.992 0 40 GHAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(F)c2)CC1 100750227 LGAFSCHTIDYXOA-GWJPWWOOSA-N 383.511 3.989 0 40 GHAB CCCCCn1nc(C(=O)Nc2cccc(C(=O)OC)c2)c2ccccc2c1=O 3359521 NQULGFWNCLBISL-UHFFFAOYSA-N 393.443 3.626 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 10039332 FEZCGCHHKJRUTM-LLVKDONJSA-N 387.288 3.607 0 40 GHAB COCCn1ncc2ccc(NC(=O)c3cc(Br)ccc3F)cc21 48355133 XOLPOHNCMJBHGT-UHFFFAOYSA-N 392.228 3.837 0 40 GHAB Cc1cc(C)cc(OCC(=O)Nc2nc3ccccc3nc2N2CCCC2)c1 12879805 ONBIVZCACDZLOQ-UHFFFAOYSA-N 376.460 3.864 0 40 GHAB COCCn1c(SCc2c(C)noc2C)nc2cc(Cl)ccc2c1=O 3441583 UOQJLTHQEQPGMU-UHFFFAOYSA-N 379.869 3.593 0 40 GHAB COc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccc(C)cc3)CC2)cc1 12938425 YQHFNQYICAXXEU-UHFFFAOYSA-N 394.515 3.605 0 40 GHAB O=C(NCc1cccs1)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 13655249 XRVXKLIKBDKHLI-QGZVFWFLSA-N 395.528 3.717 0 40 GHAB O=C(/C=C/c1ccccc1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 5101068 ZEJQHLCXHQSYPY-YXBWYFRISA-N 389.904 3.569 0 40 GHAB CCn1c(SCCSC)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 4485522 ZFRXVCBQUFSELU-UHFFFAOYSA-N 399.607 3.686 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)ccc12 14115520 WHFSCZDXTIMJEN-UHFFFAOYSA-N 391.379 3.534 0 40 GHAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 14239619 NYGFBUNQVDFMDL-OAHLLOKOSA-N 390.480 3.837 0 40 GHAB O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)c1ccc(F)cc1 4661134 KFSXUWDNXITJOW-UHFFFAOYSA-N 381.451 3.914 0 40 GHAB CCOC(=O)C[C@@H](NC(=O)COc1ccccc1F)c1ccccc1Cl 4744236 VLJHKGLZNLJVEX-MRXNPFEDSA-N 379.815 3.669 0 40 GHAB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccc(C)cc2)cc1 4834793 CRNLZGCKULSAOE-UHFFFAOYSA-N 378.428 3.873 0 40 GHAB COc1ccc(-n2cnnc2SCC(=O)N(Cc2ccccc2)C(C)C)cc1 5895580 FYCZWNQDPBWEPD-UHFFFAOYSA-N 396.516 3.805 0 40 GHAB CC[C@H]1CCCCN1C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CC(C)C 67237675 RSSBTDPBFZXKMY-HNNXBMFYSA-N 390.553 3.572 0 40 GHAB CN(c1ncc(C(=O)NCc2ccc(F)c(Cl)c2)c(N)n1)C1CCCCC1 67336455 AZUXUXQZYSVEPK-UHFFFAOYSA-N 391.878 3.550 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cn2)c1 15934890 XOOFZRUETPNNHN-UHFFFAOYSA-N 395.484 3.858 0 40 GHAB O=C1CCCN1c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 7612583 FPPAEPNYPOHKHS-UHFFFAOYSA-N 384.379 3.633 0 40 GHAB C[C@H](NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccc(-n2ccnc2)cc1 7986001 JGFVLHMLDUQLLS-INIZCTEOSA-N 379.485 3.840 0 40 GHAB CC(=O)N[C@H]1C(=O)N(CCCOc2ccc(Cl)cc2)c2c(C)cc(C)cc21 8047845 HHCDMDHLPWYYFM-LJQANCHMSA-N 386.879 3.950 0 40 GHAB O=C(Cc1csc(-c2ccsc2)n1)OCC(=O)c1ccc2c(c1)OCO2 8001456 MTQKXEBZMCSJHU-UHFFFAOYSA-N 387.438 3.569 0 40 GHAB C[C@@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(-n2ccnc2)cc1 8163509 QUMZXPJQOJKCFD-CQSZACIVSA-N 393.472 3.794 0 40 GHAB Cc1ccnc2nc(C(=O)N[C@H](Cc3ccccc3Cl)c3ccccc3)nn12 72046250 REQXSNHNIHLNFO-GOSISDBHSA-N 391.862 3.800 0 40 GHAB O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NC(=O)Cc1ccccc1 8725565 DZOCWSQMWJVTJH-UHFFFAOYSA-N 391.496 3.863 0 40 GHAB CN1C[C@@]2(Cc3c1ccc1ccccc31)C(=O)N(c1ccccc1)C(=O)N=C2O 8971301 AUHZXRJPXGQCOE-HSZRJFAPSA-N 385.423 3.942 0 40 GHAB O=C(Cc1ccccc1F)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 98211750 GCHYMEPZBICJQS-UHFFFAOYSA-N 398.869 3.761 0 40 GHAB CSc1nccn1-c1cccc(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)c1 89894442 SDYHSIRFLFVAMG-KBXCAEBGSA-N 379.485 3.889 0 40 GHAB Cc1ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)cc1C 28535545 HVQFJKGNOGFNIO-UHFFFAOYSA-N 387.896 3.658 0 40 GHAB Cc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 22879702 VVFKFNWXIUCGPL-GFCCVEGCSA-N 391.240 3.888 0 40 GHAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 20488054 AXRNOTXDUWLSAU-UHFFFAOYSA-N 393.487 3.591 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC(C)(C)C)c2)cc1 20492681 GYGWZWOYIOHRFX-UHFFFAOYSA-N 380.897 3.978 0 40 GHAB CN1CCC(N[C@H]2C[C@@H](Cc3cc(COc4ccccc4)on3)C2(C)C)CC1 67889987 QYTZYOQFYILGIJ-VGSWGCGISA-N 383.536 3.895 0 40 GHAB biogenic,in-vitro O=C(NCc1ccccc1Cl)c1cc(-n2cnnc2)ccc1Br 35684161 ZCUNKGWSTNNQJV-UHFFFAOYSA-N 391.656 3.613 0 40 GHAB CC[C@H](c1nnnn1C(C)C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 35291349 UXYCSBJXKUQFMF-MRXNPFEDSA-N 382.434 3.546 0 40 GHAB O=C(O)[C@H](c1cccc(Cl)c1Cl)N1CCC(CN2CCCCC2=O)CC1 518199648 AXVJQJDSXQIVHW-SFHVURJKSA-N 399.318 3.844 0 40 GHAB Cc1cc(C)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1Br 529070276 UOLGUPQNJSQEAH-IFMYKAFSSA-N 385.327 3.583 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1 35314250 SMAHQQRGABVBGS-UHFFFAOYSA-N 387.480 3.818 0 40 GHAB COc1cccc(OCCc2cc([C@@H]3CCN(C(=O)C4CCCC4)C3)n[nH]2)c1 72371373 HWSYVZOTYLBWHG-QGZVFWFLSA-N 383.492 3.546 0 40 GHAB COc1ccc(Nc2nc(NCc3ccccc3)c3nccnc3n2)c(OC)c1 36359819 QZMGWCMBOPXFDU-UHFFFAOYSA-N 388.431 3.793 0 40 GHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219329975 SPQFWWQDHPROJN-GOSISDBHSA-N 387.476 3.803 0 40 GHAB O=C(NCc1ccccc1F)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1 38487916 FHIWXEYXVXPYOM-UHFFFAOYSA-N 391.381 3.538 0 40 GHAB O=C(COC(=O)c1cccc(Cl)c1)NCc1cccc(Br)c1 72333823 KEAUQTNWSATBOF-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB COc1ccc2[nH]c(C(=O)N3CCC(n4c(C)nc5cccnc54)CC3)cc2c1 72365994 RMRPYFGUNDMQGI-UHFFFAOYSA-N 389.459 3.707 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)COc2ccc(Br)c(C)c2)c1 218822558 IJVIJPCLXATNIM-UHFFFAOYSA-N 392.249 3.870 0 40 GHAB Cc1nc(=O)c2ccccc2n1C1=CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 72348208 QSLFOBLYOIMZFH-UHFFFAOYSA-N 398.466 3.502 0 40 GHAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N[C@@H](C)c1cccc(OC(C)C)c1)C2=O 40112858 NOSXEOASMLVZRK-INIZCTEOSA-N 394.471 3.646 0 40 GHAB C[C@H]1CN(c2ccccc2NC(=O)c2c(Cl)nc3ccccn23)C[C@@H](C)O1 130187756 BEGMKCLVFWIIJI-OKILXGFUSA-N 384.867 3.854 0 40 GHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 222672430 ZEUAJNFQWNJVES-INIZCTEOSA-N 386.467 3.537 0 40 GHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(Cn2ccnc2)cc1 225063162 CYKXXARUGJOLED-UHFFFAOYSA-N 393.472 3.705 0 40 GHAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1cc(Cl)ccc1F 225764341 KOQZPBFJFMYEJP-UHFFFAOYSA-N 387.827 3.575 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 222627598 ANMHCXKNFUJDHR-AWEZNQCLSA-N 376.859 3.575 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 223196651 PIQJJGKRBJMRJC-LJQANCHMSA-N 388.508 3.780 0 40 GHAB Cc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1 223412041 KTHNXRNCVXESLI-SFHVURJKSA-N 388.533 3.564 0 40 GHAB Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 577752188 KQTOSOGOSBCLSU-UHFFFAOYSA-N 390.374 3.792 0 40 GHAB CC(C)c1nc(-c2cc(C(=O)N3CCCN(C)CC3)c3ccccn23)cs1 96154836 WJUALGYBMQJXNT-UHFFFAOYSA-N 382.533 3.964 0 40 GHAB CC[C@](Br)([C@@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96521480 ZYXXBBAUPFPORE-DLBZAZTESA-N 383.307 3.933 0 40 GHAB O=C(Cc1ccc(Cl)cc1)N1C[C@H]2CN(CCCc3ccccc3)C[C@@H]2C1 96080948 JTHNRDBHUACLLY-NHCUHLMSSA-N 382.935 3.906 0 40 GHAB O=C(C1CCOCC1)N1CCC(CCc2ccnc(Nc3ccccn3)c2)CC1 257214186 CKXUSSBEOAGXII-UHFFFAOYSA-N 394.519 3.818 0 40 GHAB COC(=O)c1cccc(Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)c1 27044926 JAIVJBFQUWFSDP-UHFFFAOYSA-N 388.345 3.764 0 40 GHAB Cc1cc(Nc2cccc(C3CCN(C(=O)Cc4ccccc4)CC3)n2)[nH]n1 257304841 SNJJGCSZYPEHPQ-UHFFFAOYSA-N 375.476 3.805 0 40 GHAB Cc1ncc(CN2CCO[C@@H](c3ccc(Nc4ccc(F)cn4)cn3)C2)s1 257329617 XKTFZZZXOKOMBH-GOSISDBHSA-N 385.468 3.698 0 40 GHAB CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 257289377 PYIBPBKDVXCDPE-UHFFFAOYSA-N 382.508 3.829 0 40 GHAB CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)CC(C)C)CC1)c1ccccc1 257234375 GTGGNAPQCUJUAQ-UHFFFAOYSA-N 382.508 3.829 0 40 GHAB C[C@H]1CCn2ncc(C(=O)N3CCC([C@@H](CC(=O)O)c4ccccc4)CC3)c2C1 621544413 WDXPTECZTFZOKQ-LPHOPBHVSA-N 395.503 3.576 0 40 GHAB C[C@H](NC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1)c1ccnc(O)c1 655112317 FHFVLWMGTJWPPW-LBPRGKRZSA-N 380.366 3.985 0 40 GHAB O=C(Cc1sc(-c2cccs2)nc1-c1ccccc1)NN1CCCNC1=O 1153340194 KDSNHURYFRZEEJ-UHFFFAOYSA-N 398.513 3.528 0 40 GHAB CCS(=O)(=O)c1ccc(CNC(=O)N[C@]2(c3ccccc3)CC2(C)C)s1 664781358 PGHIRQKHEWEICT-IBGZPJMESA-N 392.546 3.666 0 40 GHAB CO[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C)s1 96104804 WSYLBENLPNYJCR-CYBMUJFWSA-N 379.425 3.741 0 40 GHAB C[C@@H](NC(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)c1nccn1C 585100217 HKSKPHWTFJNSAM-CQSZACIVSA-N 397.504 3.637 0 40 GHAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(Cc3ccc4nc[nH]c4c3)C2)c1 585270148 GXLSLUXGNVRIAQ-OAQYLSRUSA-N 385.895 3.931 0 40 GHAB CCc1c(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cnn1-c1ccccc1 30111111 IADDVHOROZWARG-UHFFFAOYSA-N 390.487 3.762 0 40 GHAB CC1(C)CC[C@@H](NC(=O)NC2CCN(c3ncccn3)CC2)c2ccccc21 57634483 BQZHTDUMICSPRO-LJQANCHMSA-N 379.508 3.557 0 40 GHAB Cc1cc(-c2cc(C(=O)NC[C@H]3CCC[C@H]3O)c3cnn(C(C)C)c3n2)c(C)o1 78902723 NNXBUMZEYKBDJH-FOIQADDNSA-N 396.491 3.780 0 40 GHAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 12238179 HBLDAJPRXLCZEF-UHFFFAOYSA-N 385.458 3.887 0 40 GHAB O=C(CCC1CCCC1)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 12256855 YTNUFRLPVNLYEQ-GOSISDBHSA-N 380.492 3.921 0 40 GHAB COc1ccc(CN(C)[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)c(OC)c1 12913637 JIFVCUGVGYZGDC-OAQYLSRUSA-N 395.459 3.812 0 40 GHAB CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 15895825 IERASQPJQVVIRV-UHFFFAOYSA-N 383.267 3.517 0 40 GHAB O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 19369044 OMUYDJZYUGVSLD-PMACEKPBSA-N 392.528 3.921 0 40 GHAB CCc1ncc(CN2Cc3ccccc3OC3(CCC(N(C)C)CC3)C2)cn1 19523459 INMPIZVIPZZUOC-UHFFFAOYSA-N 380.536 3.677 0 40 GHAB CCn1cc(CN2CCO[C@H](c3ccc(-c4ccccc4F)cn3)C2)c(C)n1 19692511 HZVNULQSXIHRCJ-QFIPXVFZSA-N 380.467 3.986 0 40 GHAB Cn1cc(-c2csc(NC(=O)c3ccccn3)n2)c(-c2ccc(F)cc2)n1 19697101 ZHRHZBJBMANMKP-UHFFFAOYSA-N 379.420 3.997 0 40 GHAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1 205725702 WNMSTSLCYLQRHU-BVTUPMQUSA-N 377.462 3.852 0 40 GHAB CCOC(=O)[C@]12C(=O)Oc3ccccc3[C@H]1[C@@]2(C)C(=O)c1ccc(Cl)cc1 4754121 YQAUVUQKQPSJPX-NDXORKPFSA-N 384.815 3.795 0 40 GHAB COCC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)O)ccc21 643583085 QFSCEPLPTMWATA-UHFFFAOYSA-N 376.497 3.539 0 40 GHAB CNC1CCC2(CC1)CN(C(=O)Cc1ccc(C)cc1)Cc1ccccc1O2 19209907 VLYXLSBCJUYMQT-UHFFFAOYSA-N 378.516 3.860 0 40 GHAB Cc1ccc2nc(COC(=O)/C=C/c3cccc(C(F)(F)F)c3)cc(=O)n2c1 5185260 FBIOPUYPCCYXGW-SOFGYWHQSA-N 388.345 3.778 0 40 GHAB Cc1nc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc(C(F)(F)F)n1 1888890716 MGWXYOGSPJKYCB-LBPRGKRZSA-N 390.365 3.965 0 40 GHAB Cc1nc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)sc1-c1ccccn1 23502293 DGHVASCOBMSGOZ-OAHLLOKOSA-N 396.497 3.955 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1 24856574 FRWIYWUTMASYSD-GOSISDBHSA-N 379.504 3.981 0 40 GHAB COc1cccc(CN2CCC[C@@]3(CC2)CC(=O)NCc2ccccc2N3)c1F 2037988954 OXOOIFBGLHSKPY-HSZRJFAPSA-N 397.494 3.691 0 40 GHAB CO[C@@H](CS(=O)(=O)N(Cc1ccc(F)cc1F)C1CC1)c1ccc(F)cc1 1621666440 BOJWZXDUIJDTFP-IBGZPJMESA-N 399.434 3.786 0 40 GHAB COc1ccc2[nH]c(C)c(CCNC(=O)c3cc4ccccc4oc3=O)c2c1 4594088 KXBZBBGZKWRRHH-UHFFFAOYSA-N 376.412 3.564 0 40 GHAB biogenic,in-vitro O=C(COc1ccccc1F)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 13695113 PYDMISNGFBUTGL-UHFFFAOYSA-N 382.435 3.923 0 40 GHAB CCN1CCCc2cc(CCNC(=O)c3cc4ccccc4oc3=O)ccc21 22732606 IDAHOVBMXMZEEY-UHFFFAOYSA-N 376.456 3.538 0 40 GHAB COc1cccc(C(=O)NC[C@@H](c2cccc3ccccc23)N2CCOCC2)c1 23106457 KPTPOCYDLHSFJI-QHCPKHFHSA-N 390.483 3.652 0 40 GHAB CCOC(=O)c1sc(NC(=O)c2cc(C)nn2CC)nc1-c1ccccc1 11696039 WDGFVSWLQDGQGO-UHFFFAOYSA-N 384.461 3.764 0 40 GHAB COC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1 15882997 NEXJQCUQLZUULM-UHFFFAOYSA-N 396.830 3.589 0 40 GHAB CC(=O)c1csc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)n1 40131719 AHGDBTNFVJMBRM-UHFFFAOYSA-N 385.470 3.590 0 40 GHAB COc1cccc(-n2nnc(C(=O)N[C@@H](C)c3cccc(OC(C)C)c3)c2C)c1 40112807 RQLMMTHBXCTFNA-HNNXBMFYSA-N 394.475 3.863 0 40 GHAB Cc1cc2ncn(CCCC(=O)N(C)C[C@@H]3COc4ccccc4O3)c2cc1C 40135226 JSORBWCSQIMPJM-GOSISDBHSA-N 393.487 3.732 0 40 GHAB O=C(NCCc1c[nH]c2cc(F)ccc12)[C@H](c1ccccc1)N1CCSCC1 50765414 LECLPPHJVXHJEE-NRFANRHFSA-N 397.519 3.756 0 40 GHAB C[C@H]1CN(CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)C[C@H](C)O1 20403560 MXIMKLDOCOJDRJ-HOTGVXAUSA-N 392.455 3.508 0 40 GHAB CSCC[C@@H](NC(=O)c1c(F)cccc1Cl)c1nnc2ccccn12 40563103 JHVDUHOOXLQRBU-CYBMUJFWSA-N 378.860 3.746 0 40 GHAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc(Br)cc1 101064811 KOURDGKLAWGZNE-NYYJTOMGSA-N 393.277 3.506 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)NCC1(c2ccccc2)CC1)c1ccccc1 21524339 XVWZSJKYTINMTJ-HSZRJFAPSA-N 398.506 3.876 0 40 GHAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccccc1Sc1ccccc1 102400786 MVWSUKLMSVHKLG-CALCHBBNSA-N 394.496 3.952 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Nc2c3c(nc4ccccc24)CCCC3)c1 32801950 PADQEUPQVKOBPT-UHFFFAOYSA-N 380.469 3.769 0 40 GHAB Cc1cccc(OCCCNC(=O)c2cnn(-c3ccccn3)c2C(C)C)c1 32914271 GYJSCXVXCATPDM-UHFFFAOYSA-N 378.476 3.898 0 40 GHAB CNC(=O)Nc1ccc(NC(=O)c2cnc(SC)n2-c2ccccc2)cc1 32903290 CSJLWOFBTPDHHX-UHFFFAOYSA-N 381.461 3.598 0 40 GHAB C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(Br)cc3)CC2)C1 819214 FKPSHCRYQCXQGT-HNNXBMFYSA-N 379.342 3.920 0 40 GHAB Fc1ccc(-n2nnnc2-c2cnn(-c3cccc(F)c3)c2C(F)(F)F)cc1 982034 WCYPWZFGLNCBAG-UHFFFAOYSA-N 392.291 3.812 0 40 GHAB CCOc1ccc(OCCC(=O)OCC(=O)NC2CCCCCCC2)cc1 23943509 NWLCFRDQYHULKC-UHFFFAOYSA-N 377.481 3.627 0 40 GHAB O=C(CCc1ccccn1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 77357757 WMLIILVBEMXLEK-QGZVFWFLSA-N 378.451 3.950 0 40 GHAB C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 24929568 QQWCEPMSDVVAES-WRUITMHCSA-N 390.527 3.951 0 40 GHAB O=C(CCOc1ccccc1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24931782 YHCVSPNNYMQEBV-NRFANRHFSA-N 375.472 3.894 0 40 GHAB Cc1cccc(C(C)C)c1NC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 47703237 JUOIGUVODGFLGB-UHFFFAOYSA-N 389.521 3.690 0 40 GHAB CCOC(=O)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C1(OCC)CCCC1 79110649 VANVTIBNTQMXPT-OAHLLOKOSA-N 387.398 3.716 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)n2)cc1 7777434 NYDHRSCTZOQLNZ-HNAYVOBHSA-N 387.530 3.765 0 40 GHAB CCCN1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 57427788 LCTROFWOLDBLPP-UHFFFAOYSA-N 392.503 3.843 0 40 GHAB CCc1c(O)nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)[nH]c1=O 10059016 YMQCVVZJWJTVII-UHFFFAOYSA-N 393.553 3.624 0 40 GHAB O=C(NCc1cn2ccccc2n1)c1ccccc1OCc1ccc(F)cc1 12507725 SPRPLOOMVDCENF-UHFFFAOYSA-N 375.403 3.982 0 40 GHAB CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)CC1=O 10461850 GZAAZABGPQATMT-KRWDZBQOSA-N 379.460 3.526 0 40 GHAB COc1ccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)cc2=O)cc1 57526786 LJLIZSSKACWIJE-UHFFFAOYSA-N 383.835 3.519 0 40 GHAB COc1cccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)c1 2336073 PIAXZYOFFMPEGD-UHFFFAOYSA-N 377.223 3.884 0 40 GHAB COc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccc4c(c2)OCO4)S3)cc1 2331393 RTWCQNIOIZDFJI-MRXNPFEDSA-N 381.413 3.560 0 40 GHAB CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C(=O)OCC)c1C 100674113 ZHMMLVNRGGBWAS-JHJVBQTASA-N 379.478 3.785 0 40 GHAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2N)c(Cl)c1 2438423 XZHFIHNBICLZLK-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB Cc1ccc(NCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1C(F)(F)F 11704969 BDVFUZQGTJOGQF-UHFFFAOYSA-N 391.393 3.957 0 40 GHAB CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(NC(C)=O)cc1 2601576 AYBNYIBESYIIJW-RNFLVTLCSA-N 387.524 3.941 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)Cc2ccc(F)cc2)c2ccccn2)CC1 100750320 DNDBZLNKUHOWCV-SELNLUPBSA-N 397.494 3.563 0 40 GHAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 20492574 FLGHBKBZYKOVRT-FQEVSTJZSA-N 396.487 3.572 0 40 GHAB CC(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 12622593 VOCULWSMYWPSOV-UHFFFAOYSA-N 391.427 3.703 0 40 GHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2cccnc2N2CCCC2)C1 48173697 YVDBFLBTFWYGPM-KRWDZBQOSA-N 393.491 3.564 0 40 GHAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CN2C(=O)CCC2=O)cc1 12793804 WSGLVZSAMKVRDY-UHFFFAOYSA-N 391.254 3.572 0 40 GHAB O=C(CCN1CCSC1=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 12757481 ULMGIBHZQHJOFW-UHFFFAOYSA-N 383.445 3.510 0 40 GHAB CSc1ccc(Cl)c(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1 12768150 RCFGKEWQZVBPRR-UHFFFAOYSA-N 390.936 3.824 0 40 GHAB COc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1Cl 3368623 PPRGWVHNSMSFTO-UHFFFAOYSA-N 376.659 3.912 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)c(F)c2F)o1 3428886 BMBMYQYXVZYUPC-UHFFFAOYSA-N 395.362 3.893 0 40 GHAB CCCCCOc1cc(C)ccc1S(=O)(=O)NCc1ccc2c(c1)OCO2 12907692 BMIRYDVPLCLYGE-UHFFFAOYSA-N 391.489 3.771 0 40 GHAB CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(N2CCCC2=O)c1 12924308 ONMLXVQTNHBSBM-UHFFFAOYSA-N 386.835 3.687 0 40 GHAB COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F 62906573 HMYBHTZAZZMYFP-UHFFFAOYSA-N 396.340 3.740 0 40 GHAB Cc1nc2cc(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)ccc2[nH]1 24756032 FHVUDUHBTBVLQT-JXMROGBWSA-N 388.471 3.762 0 40 GHAB CN(C(=O)COC(=O)c1n[nH]c2ccccc12)C(c1ccccc1)c1ccccc1 6007304 SUSYHWUMTOZSDQ-UHFFFAOYSA-N 399.450 3.968 0 40 GHAB O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1)c1ccccc1 9199228 UBLDRYDHLFFGNH-CYBMUJFWSA-N 398.875 3.964 0 40 GHAB CCC(CC)CN1CC(F)(F)C[C@]2(CCCN(Cc3cc(C)nn3C)C2=O)C1 306122969 AAYCUOCKONCQNZ-HXUWFJFHSA-N 396.526 3.615 0 40 GHAB CCCCOc1ccc(-c2nc3s/c(=C/c4ccccc4)c(=O)n3n2)cc1 6323382 GNGRRRBUDBEEOB-NBVRZTHBSA-N 377.469 3.545 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)N3CCC(c4ccccc4)=N3)c(C)c2c1 4525035 YDXRBSFOXQNVFL-UHFFFAOYSA-N 392.411 3.543 0 40 GHAB O=C(O)c1c[nH]c2cc(OCCOc3ccc4ccccc4c3)ccc2c1=O 27717300 ASCGFMFCUMXIEK-UHFFFAOYSA-N 375.380 3.837 0 40 GHAB CCCn1c(SCC(=O)NCc2ccccc2CN(C)C)nc2ccccc21 6657897 KIWHOGSCKAXPEU-UHFFFAOYSA-N 396.560 3.916 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(C)c1 4734776 QAHFYMPZMYRUKZ-FQEVSTJZSA-N 377.444 3.823 0 40 GHAB COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)ccc1O 4812404 LGLDWERJNHENLY-ZRDIBKRKSA-N 386.407 3.976 0 40 GHAB O=C(NCCc1cccc(F)c1)/C(=C/c1ccco1)NC(=O)c1ccccc1 4954056 PCLKIEVERVEPNW-HKWRFOASSA-N 378.403 3.549 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)ccc2c1 72003769 UKNMWVQDGANQHG-ZDUSSCGKSA-N 388.423 3.816 0 40 GHAB CCCSc1nnc(S[C@@H](C)C(=O)NCc2ccc(OC)cc2)s1 7397589 RLDAALWUSLTPOL-NSHDSACASA-N 383.564 3.846 0 40 GHAB Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCCC2)o1 15860246 CWKRXLFFZXZBMT-SFHVURJKSA-N 376.884 3.882 0 40 GHAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(F)c(Br)c1 7552518 FEYFUDNJVNPKGO-HNNXBMFYSA-N 397.244 3.654 0 40 GHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H](c1ccco1)N1CCCC1 7780516 DBTMAMWNRCJJCX-QGZVFWFLSA-N 398.894 3.994 0 40 GHAB O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(=O)n(Cc2ccccc2)n1 9513615 BFQSAJFHVBULAI-UHFFFAOYSA-N 391.515 3.628 0 40 GHAB C[C@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)NC[C@H]1CCCO1 8135656 YZMVTOOSZFHHJB-DOTOQJQBSA-N 381.501 3.801 0 40 GHAB COc1ccc(-c2n[nH]c(SCC(=O)c3ccc4c(c3)OCCCO4)n2)cc1 9515564 MQMRRKKRTXJROO-UHFFFAOYSA-N 397.456 3.617 0 40 GHAB CCCN1C(=O)S/C(=C/c2cc(Br)cc(OC)c2OC)C1=O 409255024 XMYCKORLUIUPBY-KPKJPENVSA-N 386.267 3.913 0 40 GHAB C[C@@H]1Cc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1S(C)(=O)=O 8297691 BIQCQZJCTOMRCE-GFCCVEGCSA-N 386.498 3.893 0 40 GHAB CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 8338496 VDALSGMQNGOWMB-OAQYLSRUSA-N 390.483 3.852 0 40 GHAB CCOc1ccc(OCc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)cc1 8324363 HNNJLAVCIFNTGR-UHFFFAOYSA-N 386.415 3.645 0 40 GHAB COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1OC 8708785 IELNGMQSNLPLKP-UHFFFAOYSA-N 381.407 3.770 0 40 GHAB O=Cc1cc(Br)c(Sc2n[nH]c(COc3ccccc3)n2)o1 408553914 RMRNIYDLMIDYQR-UHFFFAOYSA-N 380.223 3.703 0 40 GHAB CC(C)Cn1ccc2c(NC(=O)Cc3nn(C)c(=O)c4ccccc34)cccc21 72400713 BWNOBSANTPYPBT-UHFFFAOYSA-N 388.471 3.725 0 40 GHAB O=C1CSc2ccc(NC(=O)c3ccc(N4CCCCCC4)nc3)cc2N1 84489957 DHXJVRMDRORCMU-UHFFFAOYSA-N 382.489 3.759 0 40 GHAB CCN1CCN(c2cc(CN[C@H]3CCCOc4ccc(C)cc43)ccn2)CC1 95421342 PMRAXPSRCYCGSL-NRFANRHFSA-N 380.536 3.535 0 40 GHAB Cc1cccc(OCCNC(=O)COc2cccc(Oc3cccnc3)c2)c1 95455645 NOXIZYZSSNWPGF-UHFFFAOYSA-N 378.428 3.756 0 40 GHAB Cc1nc(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c2ccccn12 95436615 PDPRSHHTDNVWGS-UHFFFAOYSA-N 396.397 3.825 0 40 GHAB O=C(NCc1cccnc1)c1ccn(COc2cccc(Cl)c2Cl)n1 27972619 AZWHHLJYXVCHRR-UHFFFAOYSA-N 377.231 3.551 0 40 GHAB Cc1nc(-c2ccc(CC(=O)NCc3ccc4c(c3)OCCO4)cc2)cs1 28430340 YYQGARDGHGSUQD-UHFFFAOYSA-N 380.469 3.749 0 40 GHAB Cc1ccc(Cl)cc1NCc1ccc(OCC(N)=O)c(Br)c1 408558346 TXQVKUAJVUPXRG-UHFFFAOYSA-N 383.673 3.887 0 40 GHAB CN1CCN(Cc2cccc(F)c2)C[C@@H]1c1cn2c(N3CCCC3)cccc2n1 306131501 KGTGBKQPTLAEPH-OAQYLSRUSA-N 393.510 3.562 0 40 GHAB Cc1ccc(Nc2nc(N3CCOCC3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1C 32603936 VKLXVCHEGKCMII-HZPDHXFCSA-N 396.539 3.551 0 40 GHAB CCOC(=O)COc1ccc2c(=O)c(Oc3cccc(OC)c3)c(C)oc2c1 627249 OBRHXWATMQMYCL-UHFFFAOYSA-N 384.384 3.844 0 40 GHAB biogenic CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)O)cc2)C1=O 21781702 HIJMTHJXAITRNI-UHFFFAOYSA-N 399.468 3.611 0 40 GHAB CC[C@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)O 5984783 NOHJPRJHIPDDHW-FVINQWEUSA-N 399.443 3.622 0 40 GHAB biogenic CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(C)c(C)c3)oc2c1 32127122 RFOAPQACFJVSBC-UHFFFAOYSA-N 382.445 3.530 0 40 GHAB C[C@@H](NC(=O)Nc1ccc(-n2ncc3ccccc32)cc1)C1=CCN(C)CC1 542383276 ILDUZZKUDHJYFE-MRXNPFEDSA-N 375.476 3.797 0 40 GHAB CC(C)c1ccc(OCCc2cc([C@@H]3CCN(Cc4ccnn4C)C3)n[nH]2)cc1 72371591 WEXMRYIFFWXAJA-LJQANCHMSA-N 393.535 3.878 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 222993463 LHROPKBHSUDEMB-KBPBESRZSA-N 398.351 3.525 0 40 GHAB COc1cccc(CN(C(=O)Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)c1 224453797 WNTJKBPBXORMKV-IBGZPJMESA-N 396.531 3.736 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccccc2C)[C@@H](C)C(=O)NC(C)C)cc1 225515974 SGXRTPDYMLKNAT-IBGZPJMESA-N 382.504 3.624 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(OC(C)C)c3)ccc21 222919666 FFJZTKNLJIIJBG-UHFFFAOYSA-N 388.489 3.574 0 40 GHAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1ccc(F)cc1F 225728382 XDHJGCBLSHBHRV-UHFFFAOYSA-N 393.187 3.681 0 40 GHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3)cc2)c1 224923304 AKLIIDRVGZRUOX-UHFFFAOYSA-N 393.896 3.564 0 40 GHAB COc1cccc(CCCNC(=O)CSc2ccc(OC)c(OC)c2)c1 44880111 FGBPFNOZEHDLEA-UHFFFAOYSA-N 375.490 3.554 0 40 GHAB Cc1cc(OCC(=O)NCc2ccc(F)cc2)nc(-c2ccc(Cl)cc2)n1 49007029 HDZZXCOJVQLDBR-UHFFFAOYSA-N 385.826 3.940 0 40 GHAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1cncc(Br)c1 45889980 DXTZUQWCOUCDRA-UHFFFAOYSA-N 392.282 3.609 0 40 GHAB Cc1ccccc1OCCNC(=O)COc1ccc(Br)cc1Cl 224262644 YSSMUEIPIQPZOF-UHFFFAOYSA-N 398.684 3.985 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)c(C)c1C 225184108 ZZDKKNVZOUJXTE-UHFFFAOYSA-N 391.533 3.967 0 40 GHAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)COc2ccccc2OC)c1 225786471 QVFOTFWVJWMYSG-AWEZNQCLSA-N 388.489 3.544 0 40 GHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 225573615 SQPSAYWPASEKAY-OAHLLOKOSA-N 390.886 3.964 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 224791102 LIEBYYQTESUMCO-UHFFFAOYSA-N 380.488 3.903 0 40 GHAB O=C(NCCc1ccncc1)c1cc(-c2ccn(CC3CC3)n2)n2ccccc12 96266694 VIGOCUSTCDIRQC-UHFFFAOYSA-N 385.471 3.580 0 40 GHAB Cc1nnc(SCC(=O)NCCc2c(C)[nH]c3c(Cl)cccc23)s1 98086761 ABUFVXAJXBFMCI-UHFFFAOYSA-N 380.926 3.741 0 40 GHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccccc3C)CC2)c1 244114899 UJUCBTZGQCAGCJ-UHFFFAOYSA-N 382.460 3.503 0 40 GHAB O=C(Cn1cccn1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257280303 OKIOUUWQJJXJRL-MRXNPFEDSA-N 384.867 3.522 0 40 GHAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 1646471453 HRFYMGSCPNALIU-CQSZACIVSA-N 386.398 3.815 0 40 GHAB O=C(NC[C@](O)(c1ccccc1Cl)C(F)(F)F)c1coc2cc(O)ccc12 1648298497 GOFNHTVFCJSUTG-KRWDZBQOSA-N 399.752 3.972 0 40 GHAB Cc1onc2c(=O)n(C)nc(C(=O)N[C@@H](c3ccc(C(C)(C)C)cc3)C(C)C)c12 65497980 REFRMNMSFWSLSR-QGZVFWFLSA-N 396.491 3.655 0 40 GHAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H](Cc3ncccn3)C2)o1 585177733 CCVKHRDWGNOIAW-MRXNPFEDSA-N 377.444 3.890 0 40 GHAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4F)OCC[C@@]31C2 585261203 HTNRFFVGXWSFCF-ZFTZQBIMSA-N 393.474 4.000 0 40 GHAB Cn1ncc(C2CC2)c1/C=C/c1nc(O)c2cc(Br)sc2n1 585091666 LBNYSNCBUHLQIC-SNAWJCMRSA-N 377.267 3.941 0 40 GHAB CC(C)(C)c1ccc(=O)n(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 1775995339 OVLARTLBYKPENG-UHFFFAOYSA-N 380.414 3.796 0 40 GHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H]1CCC[C@@H](C(F)(F)F)C1 41902717 YUGYCSCUTMQFOO-AQLLNRKPSA-N 386.458 3.556 0 40 GHAB COc1ccc(Cn2cccc(NC(=O)Nc3cccc(OC)c3)c2=O)cc1 5000876 IXALCMDXGSZDGO-UHFFFAOYSA-N 379.416 3.558 0 40 GHAB Cc1ccc2nc3c(cc2c1)CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H](C)O3 12115611 FEEUXHCBJAIGBO-CQSZACIVSA-N 376.412 3.582 0 40 GHAB Cc1nc2ccc(C(=O)N3[C@H]4CC[C@@H]3CC(O)(c3ccccc3F)C4)cc2[nH]1 12147457 QHLPOWFHMLIKOB-XVQYUUQNSA-N 379.435 3.665 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2cc3ncccc3cn2)CC1 12224082 YRCBEUPHPCWHJJ-UHFFFAOYSA-N 387.892 3.852 0 40 GHAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCCC[C@H]3C)c3ccccc32)cc1 13556646 JESCEGBCQYUTEP-HOYKHHGWSA-N 392.499 3.634 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O 13711296 WHQLQIZJSQWPSK-INIZCTEOSA-N 396.896 3.532 0 40 GHAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 16097145 QXDBDOOKRJXSOF-CYBMUJFWSA-N 399.472 3.583 0 40 GHAB CCCc1cc(C(=O)N(C)C2CCC3(CC2)CN(C)Cc2ccccc2O3)no1 19525263 UADUHKZRENMRPQ-UHFFFAOYSA-N 397.519 3.905 0 40 GHAB Cc1cc(C)cc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 19932375 LPEKIGMHVREDLM-UHFFFAOYSA-N 386.517 3.871 0 40 GHAB COc1cc2cc(N)c(C3CCN(C(=O)[C@@H]4CC=CCC4)CC3)nc2cc1OC 12230904 VGNNGQXJNXBJBO-MRXNPFEDSA-N 395.503 3.897 0 40 GHAB Clc1cc2c(cc1CN1CCC[C@H]1c1nnc(-c3ccccn3)o1)OCO2 19403368 PYRMYGMMYKWDOB-HNNXBMFYSA-N 384.823 3.851 0 40 GHAB O=C(CSc1ccc(F)cc1)N1CC[C@H](c2noc(-c3ccccc3)n2)C1 238847704 ISIOXZKZVSVYJG-HNNXBMFYSA-N 383.448 3.984 0 40 GHAB CCN1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1cccc(F)c1 2693639 FWAFPUHVDFOROM-UHFFFAOYSA-N 395.503 3.910 0 40 GHAB CCc1ccc(-n2c(=O)c3ccccc3n(CC(=O)c3ccccc3)c2=O)cc1 4905773 WTKVLRDYCRFOOW-UHFFFAOYSA-N 384.435 3.598 0 40 GHAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)cc1 5240630 YROKSKQXHTVHNQ-UHFFFAOYSA-N 399.472 3.690 0 40 GHAB Cc1ccc(-n2ccnc(SCC(=O)Nc3ccc(C)cc3C)c2=O)cc1 9320447 AEPRBXWHIVAXNQ-UHFFFAOYSA-N 379.485 3.889 0 40 GHAB Cc1cc(Br)ccc1NC(=O)Cc1csc(NC(=O)C2CC2)n1 17011207 JPBATOBUPZJUNO-UHFFFAOYSA-N 394.294 3.744 0 40 GHAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CCN(c2nccs2)C(=O)C1 1775966054 QLWQCHSDODYOKH-UHFFFAOYSA-N 397.431 3.564 0 40 GHAB O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)NCCc2cccs2)cs1 38739532 NJOOEPSEIIMZLP-CMDGGOBGSA-N 397.525 3.758 0 40 GHAB Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NCc3ccccc3Cl)n2)cc1 44213811 IYIFSJOIVKJALJ-OAHLLOKOSA-N 381.863 3.750 0 40 GHAB CC(=O)Nc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(F)cc3)n2)cc1 49006935 CHQLOOFUEXBPLN-UHFFFAOYSA-N 394.406 3.567 0 40 GHAB O=C(CCc1ccccc1)N1CCC2(CC1)C[C@@H](CN1CCC(F)(F)CC1)O2 503805136 DMYLXEFNEIRWQB-IBGZPJMESA-N 392.490 3.500 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)NCC[C@H](CCO)c2cccs2)c1C 575606870 KHSDYSUNQGZCAR-QGZVFWFLSA-N 381.563 3.816 0 40 GHAB COc1ccc(CNC(=O)NC[C@H](c2cccs2)n2nc(C)cc2C)cc1 585368715 GOXSQTIZKOUQPM-GOSISDBHSA-N 384.505 3.659 0 40 GHAB CCOC(=O)C[C@@H](NC(=O)C(=O)c1c(C)[nH]c2ccccc12)c1ccc(C)cc1 4163770 ZUHOYNGVXZNXHG-LJQANCHMSA-N 392.455 3.778 0 40 GHAB CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccc(OC)c3OC)NC(=O)CN21 2120197 KBDGACIYCOAQKV-BYUVYSIJSA-N 392.499 3.903 0 40 GHAB biogenic CCN1/C(=c2/sc3nc4ccccc4n3c2=O)Sc2ccc(Cl)cc21 100082339 AEPLAZVHJJBWOT-ICFOKQHNSA-N 385.901 3.979 0 40 GHAB O=C(OCc1ccccc1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 100079753 XXYQWZDFBGGFJB-FVCZOJIISA-N 375.424 3.579 0 40 GHAB O=C(O)c1ccc([C@H]2SC=C3Sc4nnc(-c5ccccc5)n4N32)cc1 20715872 FEJBPYYETGGQND-MRXNPFEDSA-N 380.454 3.932 0 40 GHAB Nc1nc(CSc2ncc3ccccn23)nc(Nc2ccc(Cl)cc2)n1 32854386 MOFQEONHEGJQPE-UHFFFAOYSA-N 383.868 3.791 0 40 GHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 103219220 ONBUIYNTGMIXGT-GROCDAIQSA-N 396.512 3.972 0 40 GHAB CN1CCCN(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 22912308 XISJCACVUFFPPW-ZFDSFTMVSA-N 398.591 3.532 0 40 GHAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(CC)[C@@]1(C)Oc1c(Cl)cc(Cl)cc12 104785019 ZOGWFCWQMAUTTQ-WQGACYEGSA-N 389.304 3.532 0 40 GHAB O=C(NCCc1ccc2ccccc2c1)[C@H](c1ccccc1)N1CCC(O)CC1 104847735 MPZYOYKYBBJEKZ-DEOSSOPVSA-N 388.511 3.697 0 40 GHAB COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 627656 CBZQLWBOIFBSOQ-IRXDYDNUSA-N 394.427 3.553 0 40 GHAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(I)cc2)c1 682378 BVQBVTKHSKFXJF-UHFFFAOYSA-N 387.242 3.709 0 40 GHAB CCOC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc2c1CCCC2 704675 HWEBRUMLCDSUOX-UHFFFAOYSA-N 389.473 3.830 0 40 GHAB O=C(O[C@H](C(=O)NC1CCCCC1)c1cccnc1)C1=Cc2ccccc2OC1 1345120 UJCJYVVBCSYRFJ-NRFANRHFSA-N 392.455 3.591 0 40 GHAB COc1cc(-c2nn3c(-c4ccc(C)cc4)nnc3s2)cc(OC)c1OC 2213168 YSGXTZRCHLDZPA-UHFFFAOYSA-N 382.445 3.854 0 40 GHAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2cccc(N)c2)c2ccccc21 2309765 WZRRZUXIJJMGTG-XMMPIXPASA-N 386.451 3.585 0 40 GHAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 2428599 SSTRELGFKVZOAD-FPTDNZKUSA-N 383.492 3.794 0 40 GHAB O=C(CN1C(=O)c2ccccc2C1=O)NCCC(c1ccccc1)c1ccccc1 2626558 YDIRIDPLBZHPHR-UHFFFAOYSA-N 398.462 3.621 0 40 GHAB O=C(NCCc1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 3055413 PBDXTQJVVZFESX-SILNSSARSA-N 376.481 3.878 0 40 GHAB O=C(N[C@@H]1CCSC1=O)c1ccc(Oc2ccc(Cl)cc2Cl)nc1 3104799 TWLKFHNREZURNV-GFCCVEGCSA-N 383.256 3.943 0 40 GHAB CCOC(=O)c1oc2ccc(Br)cc2c1COC(=O)[C@H]1CCCO1 3280832 PYPKGRKHRRTWEN-CQSZACIVSA-N 397.221 3.594 0 40 GHAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NCCCc1ccccc1 3412713 LPYNALCLAXWWHY-UHFFFAOYSA-N 395.315 3.877 0 40 GHAB O=C(COC(=O)c1ccc(Br)cc1)NCc1ccc(Cl)cc1 3508727 OUDKTSWCHALUMH-UHFFFAOYSA-N 382.641 3.576 0 40 GHAB CCOC(=O)C1CCN(Cn2nc(-c3ccccc3Cl)oc2=S)CC1 3620398 DHWXDUZMVCCQEE-UHFFFAOYSA-N 381.885 3.759 0 40 GHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C)cc1 4176988 ISXZZURSDWRPNB-IBGZPJMESA-N 375.432 3.523 0 40 GHAB COc1ccc(-c2c(C)c3cc(OC(=O)N4CCOCC4)ccc3oc2=O)cc1 4340775 GPKNYJNCRCDBFN-UHFFFAOYSA-N 395.411 3.608 0 40 GHAB biogenic CCCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N2 4369470 KBWNONUCKYJXPW-OAHLLOKOSA-N 376.457 3.771 0 40 GHAB COc1ccc(OC)c2sc(N3CCN(C(=O)C4CCCCC4)CC3)nc12 4583538 MRWCUQJAUYNMAU-UHFFFAOYSA-N 389.521 3.542 0 40 GHAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccc3ccccc3c2)c2c(C)cccc21 4987998 NFNRWURWZYFREO-DEOSSOPVSA-N 389.451 3.741 0 40 GHAB COc1ccc(OCC(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 5444648 WMJBMNBISBTQLR-ATZDWAIDSA-N 378.465 3.621 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc2c(n1)[nH]c1ccc(C)cc12 5519394 MYNVXQDQFDITFP-UHFFFAOYSA-N 379.445 3.554 0 40 GHAB CCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1 6629620 GPIAFOKNEOXINE-UHFFFAOYSA-N 380.517 3.785 0 40 GHAB CN(CCOc1ccc(Cl)cc1)C(=O)CSc1ncnc2ccccc12 7151789 YZUFQUPHLCSVNI-UHFFFAOYSA-N 387.892 3.913 0 40 GHAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F 7726608 AHZGFVYIVFGPBU-UHFFFAOYSA-N 384.379 3.633 0 40 GHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(-n2cnnn2)cc1 8325416 TVNRXAWTXUIPMF-UHFFFAOYSA-N 398.785 3.671 0 40 GHAB Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(F)cc2)c1 8417623 BJAKALBJMMEPQV-UHFFFAOYSA-N 386.423 3.733 0 40 GHAB CCCOc1nn(CCC)cc1C(=O)N1CCN(c2ccccc2Cl)CC1 8842381 DTZJZPJSEZGQDH-UHFFFAOYSA-N 390.915 3.698 0 40 GHAB CCc1ccccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccccc1 9237883 LFAZCOBHMCLBCE-QZTJIDSGSA-N 379.489 3.547 0 40 GHAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3cccc4ncccc34)cc2O1 9306639 VLNNYYSMHMXBBW-UHFFFAOYSA-N 392.411 3.702 0 40 GHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)cc1OC 9320935 PDJDSSMJSFIQSD-MRXNPFEDSA-N 393.443 3.891 0 40 GHAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccc(Cn2cccn2)cc1 10276657 LORHBAQFQWFGLW-UHFFFAOYSA-N 386.455 3.835 0 40 GHAB CC(C)CCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10331680 UMYMIOJGCPBEIT-UHFFFAOYSA-N 392.496 3.568 0 40 GHAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1cccc(C(F)(F)F)c1 11459225 JYODJURSQBVAFB-UHFFFAOYSA-N 387.741 3.989 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(F)cc1)N1CCC(C(=O)NCc2ccccc2)CC1 11469217 AGAWETWIFCEFMU-NRFANRHFSA-N 397.494 3.571 0 40 GHAB COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)Cc2ccccc2F)cc1 12145658 ZBZRIUWWETVHMR-HXUWFJFHSA-N 379.435 3.756 0 40 GHAB COc1ccc(C2(NC(=O)c3cccc(-n4cnnc4)c3)CCCCC2)cc1 12148411 NANCCCSUPFHARJ-UHFFFAOYSA-N 376.460 3.865 0 40 GHAB COc1ccc(Nc2nonc2-c2noc(NCc3ccc(F)cc3)n2)cc1 12370933 LKCKFWZJCYGQIX-UHFFFAOYSA-N 382.355 3.623 0 40 GHAB CN(C)c1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12555177 LGOCZFQSPLCQNR-UHFFFAOYSA-N 383.536 3.804 0 40 GHAB C[C@H]1CN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C[C@@H](C)O1 12581168 ZHNBSYIYHSAIRM-IYBDPMFKSA-N 381.501 3.876 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(Cc3c(F)cccc3Cl)nc2c1 12600634 VDOLUVCIUZSOJP-UHFFFAOYSA-N 395.887 3.977 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(OC)c1 12601916 GBOGTZRWGZGRAP-FMAYLGMYSA-N 377.444 3.957 0 40 GHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@@H]1CCN(Cc2ccccc2)C1 12731707 WTFMRMNWECCQTD-HXUWFJFHSA-N 393.462 3.804 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 12746349 ZRRNAFAUSAENFD-HUUCEWRRSA-N 393.409 3.909 0 40 GHAB Cc1nc(C)c(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)o1 12749047 AOMOJIIGXWGYGN-KRWDZBQOSA-N 377.448 3.587 0 40 GHAB COC(=O)c1ccc(OCCOc2ccc(OC)cc2)c(Br)c1 12760335 HMXPCDSXIHUHRU-UHFFFAOYSA-N 381.222 3.702 0 40 GHAB O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)NC1CCCCCC1 12762604 FEDAOEMOXCOOHF-UHFFFAOYSA-N 381.501 3.964 0 40 GHAB COc1cc(C(=O)N(C)Cc2cccc(F)c2)cc(OC)c1Br 12935016 ZDLPMNORQRAHQW-UHFFFAOYSA-N 382.229 3.878 0 40 GHAB O=C(Cc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 13022964 DTCCZCNVNJBVDK-UHFFFAOYSA-N 394.496 3.806 0 40 GHAB Cc1ccccc1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 13095612 FLSKZVAPNIGTLW-UHFFFAOYSA-N 384.423 3.525 0 40 GHAB O=C(NCc1ccc(Cl)cc1)C(=O)NCC1(c2cccs2)CCCC1 13804140 RDBZRROYDGIQKL-UHFFFAOYSA-N 376.909 3.646 0 40 GHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cc(C)on1)CC2 14129193 KKVLHOPTAOOHIK-LJQANCHMSA-N 384.457 3.850 0 40 GHAB CC(=O)c1cc(C(=O)c2cc(C)ccc2O)cn(-c2ccc(C)cc2C)c1=O 14180719 OQKVBYLBSTWMDJ-UHFFFAOYSA-N 375.424 3.902 0 40 GHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cccc3ncccc23)c1 14185091 QDLMKXGTLUCLSG-UHFFFAOYSA-N 383.473 3.518 0 40 GHAB COc1ccc2c(CC(=O)N[C@H](Cc3ncc[nH]3)c3ccccc3)coc2c1 14491717 IKCCQCZOFJLXNB-LJQANCHMSA-N 375.428 3.807 0 40 GHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 14574397 SWVNAMXPPKEIKR-NSHDSACASA-N 394.328 3.831 0 40 GHAB Cc1ccc(-c2nc3n(n2)[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC(=O)N3)cc1 14607331 AXWWETZEFIJASW-MRXNPFEDSA-N 395.850 3.737 0 40 GHAB COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCCC[C@@H]2C)cc1 15350779 JXEHPRCMIGEALE-INIZCTEOSA-N 381.476 3.760 0 40 GHAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(OC)c1 15540680 XSGQYEWWQYKEBA-QPGLYAHGSA-N 395.455 3.852 0 40 GHAB COc1cccc(OC)c1OC(=O)[C@@H](C)Oc1ccc(Br)cc1 15656137 KPXJKTIAKAFKLQ-LLVKDONJSA-N 381.222 3.839 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)OCC(=O)N(c3ccccc3)C(C)C)c2C)no1 16685117 BUUYPDVZGBGARP-UHFFFAOYSA-N 395.459 3.989 0 40 GHAB CN(c1ccccc1)S(=O)(=O)c1ccsc1-c1nc(-c2cccnc2)no1 16846003 OWPMLZJGQNUZRH-UHFFFAOYSA-N 398.469 3.685 0 40 GHAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)c3oc(C)nc3C)cc2)on1 19124340 MUSLWUFFFBWKEN-UHFFFAOYSA-N 389.415 3.642 0 40 GHAB O=C(N[C@H](c1ccccn1)C1CCN(Cc2cccc(F)c2F)CC1)C1CC1 19400863 NAYMYVOWGRBVTC-NRFANRHFSA-N 385.458 3.839 0 40 GHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H]2COc3c(cccc3OC)C2)c1 19551282 GJTAGXHMZLNBFS-QFBILLFUSA-N 397.471 3.627 0 40 GHAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4cccnc4)CC3)noc2n1 19569097 JLWKCRWRPOYYLG-UHFFFAOYSA-N 390.365 3.965 0 40 GHAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)/C=C/c1ccccc1 20153705 HTHPSDAGBABAKQ-BQYQJAHWSA-N 390.848 3.573 0 40 GHAB CCOc1ccccc1NC(=O)COc1cc(C)nc(N2CCCCCC2)n1 21360838 AVRIISFLBGVWOQ-UHFFFAOYSA-N 384.480 3.582 0 40 GHAB O=C(c1cccs1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 21687437 DTLSFNWEHUMYMB-UHFFFAOYSA-N 387.505 3.969 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)c2nnn(-c3ccc(Cl)cc3)c2N)cc1 22775985 WPVHZGGXEUKOPP-UHFFFAOYSA-N 390.896 3.633 0 40 GHAB Cc1ccc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1C 23211947 OEUUHGYSQSRLRQ-HXUWFJFHSA-N 388.939 3.827 0 40 GHAB O=C(NCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2F)c1 23862916 FDOMWHOFJFUMBE-UHFFFAOYSA-N 385.416 3.523 0 40 GHAB Cc1cccc(Nc2ccccc2C(=O)OCCN2C(=O)NC(C)(C)C2=O)c1C 24761091 FZXZBYWJVCBFCA-UHFFFAOYSA-N 395.459 3.534 0 40 GHAB COc1ccc(CCNC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1OC 25041404 XCZVSKXGWMVVAG-UHFFFAOYSA-N 385.851 3.720 0 40 GHAB O=C(Cc1cccc(F)c1)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 27600537 CHKTUWJTIUNLLR-UHFFFAOYSA-N 392.386 3.988 0 40 GHAB CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 27640230 QAOBBBBDJSWHMU-DEXKTNGXSA-N 380.525 3.887 0 40 GHAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)N(C)C)cc1 28290325 XZYBFVMVKGYQLV-LJQANCHMSA-N 378.472 3.751 0 40 GHAB CCCS(=O)(=O)Nc1cccc(C(=O)N(C)Cc2c(F)cccc2Cl)c1 29507624 OHVPNMQYHDTOQK-UHFFFAOYSA-N 398.887 3.903 0 40 GHAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 32508826 JEONZYAISDPJTI-HOTGVXAUSA-N 393.365 3.556 0 40 GHAB CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc(=O)[nH]c1 32716934 JUGGQTMLLPFIGM-UHFFFAOYSA-N 390.468 3.561 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)c(Br)c1 32764378 ADCCBPQDWORCEN-CYBMUJFWSA-N 391.265 3.841 0 40 GHAB Cc1cc(S(=O)(=O)NCCCOCc2ccccc2)ccc1Br 32814229 VNUQSHXCTMUIFX-UHFFFAOYSA-N 398.322 3.643 0 40 GHAB CC(C)c1ccc(NC(=O)[C@@H](C)N2CCN(CCc3ccccc3)CC2)cc1 32853368 AIVKXYAKLVOCGS-HXUWFJFHSA-N 379.548 3.997 0 40 GHAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cnn(Cc2cccc3ccccc23)c1 36003634 WBIAQXPKFLTJSW-XTCWOQMQSA-N 387.439 3.546 0 40 GHAB COc1ccc(C2=CCN(C(=O)CCCn3c(=O)oc4ccccc43)CC2)cc1 40119690 MQLJVTCBXYDYFJ-UHFFFAOYSA-N 392.455 3.699 0 40 GHAB CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2cccs2)C(CC)CC)c1 40158089 RYAAVXVAAGYHIQ-SFHVURJKSA-N 394.562 3.954 0 40 GHAB O=C(O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 40267803 CRMZJYVBTGIJBN-GOSISDBHSA-N 396.834 3.941 0 40 GHAB CCN(C(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1)c1ccc(C)cc1C 44486329 KTDUTPGSSNFEML-UHFFFAOYSA-N 398.503 3.882 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCc1ccc(CN2CCCC2)cc1 44872252 YWTIARXUWXKFPV-UHFFFAOYSA-N 378.925 3.555 0 40 GHAB O=C(Nc1ccc(OC[C@@H](O)c2ccc3c(c2)OCO3)cc1)c1cccs1 48368769 SRZLLGQQFOXCGP-MRXNPFEDSA-N 383.425 3.842 0 40 GHAB CCc1cccc(-n2nnc(C(=O)NCc3ccccc3)c2-c2cccnc2)c1 49003751 WDFULRHTBKXQEF-UHFFFAOYSA-N 383.455 3.822 0 40 GHAB COCc1ccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 52166891 XJUZMNXKTIETHF-UHFFFAOYSA-N 393.409 3.599 0 40 GHAB CCCOC(=O)c1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1 57353831 FRAXFKRSJDATPM-UHFFFAOYSA-N 389.253 3.640 0 40 GHAB CCCn1c(SCC(=O)N[C@@H]2CCc3ccccc32)nc2ccccc2c1=O 57472464 JXQVGJWDSSMKJP-LJQANCHMSA-N 393.512 3.702 0 40 GHAB Cc1cc2n(C[C@H](O)c3ccccc3C(F)(F)F)c(=O)c3ccccc3n2n1 60522902 AYRWZEWCGUQQKN-KRWDZBQOSA-N 387.361 3.710 0 40 GHAB CC(C)CCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)OC(C)(C)C 68605627 JCBHSQLFZICSHY-LJQANCHMSA-N 385.508 3.992 0 40 GHAB COc1ccc(C2(c3nnc(-c4ccc5c(c4)OCCO5)o3)CCOCC2)cc1 71889799 KBKOFGGZBLUFLC-UHFFFAOYSA-N 394.427 3.613 0 40 GHAB Cc1cccc(Nc2ccc(C3CCN(C(=O)c4cn(C)nc4C)CC3)nc2)n1 72374240 SCJOEAXHLMKNPY-UHFFFAOYSA-N 390.491 3.590 0 40 GHAB CSc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 72392940 ZSUXYUSHRDWVTI-SFHVURJKSA-N 392.528 3.933 0 40 GHAB CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C12CCCCC2 76042164 UAXACSBJXKBQSS-FGTMMUONSA-N 378.557 3.515 0 40 GHAB CCCN1CCC(NCc2cc(Br)c3c(c2)OCCCO3)CC1 84755305 OXCKSDCTAFWFGI-UHFFFAOYSA-N 383.330 3.574 0 40 GHAB CCN(C)[C@@H](C(=O)Nc1cccc(-n2c(C)n[nH]c2=S)c1)c1ccccc1 95448364 RTWMKOGUQMRJFC-GOSISDBHSA-N 381.505 3.870 0 40 GHAB CC(C)(C)c1csc(NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)n1 95478496 WTPMYFMLNQGYRI-CYBMUJFWSA-N 386.477 3.560 0 40 GHAB Cc1c(C(=O)N2CCC(Oc3ncccc3Cl)CC2)cnn1-c1ccccc1 96024766 YQMGZAOSXNLLRV-UHFFFAOYSA-N 396.878 3.913 0 40 GHAB CC(=O)Nc1ccc(CN2C[C@H](OCc3nc4ccccc4o3)[C@H](F)C2)cc1 96112095 PICRYNAICPZTHT-XLIONFOSSA-N 383.423 3.525 0 40 GHAB biogenic,in-vitro CC1=C[C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N2c2ccccc21 101456701 URWWPGYCVYYYMF-YDZRNGNQSA-N 394.515 3.676 0 40 GHAB C[C@@H](C(=O)Nc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 113940500 AFZIDGPYDPZNSP-NSHDSACASA-N 387.288 3.787 0 40 GHAB CC[C@H](C(=O)NCCC1=CCCCC1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220568158 OEGMFSRATHMTDM-HXUWFJFHSA-N 392.565 3.855 0 40 GHAB Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)cccc1N(C)S(C)(=O)=O 222428212 WITPMVNSQFKOFZ-UHFFFAOYSA-N 387.288 3.950 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 223048272 WCJWRXHPPFWDQR-NRFANRHFSA-N 396.531 3.852 0 40 GHAB COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCCC(C)C)c2ccccc2)cc1 223543829 HIMMLXIFNHKAOB-JOCHJYFZSA-N 382.504 3.947 0 40 GHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223869815 SZYADNXFRVOUHQ-JXFKEZNVSA-N 389.517 3.742 0 40 GHAB COc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 224178284 HQQHSHIDGLCYOP-UHFFFAOYSA-N 390.288 3.500 0 40 GHAB CSc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)cc1NC(=O)C(C)C 224238772 RQLGBBMPWTVSHJ-UHFFFAOYSA-N 386.583 3.962 0 40 GHAB CCN(CC)C(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(C)cc2)cc1 224452820 BQGLYSJWWJCPGB-UHFFFAOYSA-N 388.533 3.688 0 40 GHAB CCOC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc(SC)cc1 224972708 HHVANOLSTZPQCF-UHFFFAOYSA-N 393.530 3.784 0 40 GHAB CS(=O)(=O)N[C@H](CC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 225950885 XERUAKDMLFNVEB-OAHLLOKOSA-N 387.288 3.613 0 40 GHAB COC1CN(c2ccc(NC(=O)CCc3ccccc3Br)cc2)C1 245131217 VJJYYWSJOHIYEP-UHFFFAOYSA-N 389.293 3.855 0 40 GHAB Cc1ccc(-c2cccc(CC3(C(=O)N[C@H](C)CO)CCOCC3)c2)c(C)c1 257198126 UDEWMJAMLOJCAW-LJQANCHMSA-N 381.516 3.807 0 40 GHAB O=C(c1ccncc1)N1CCO[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257211748 CAGLKDOGKXNHEM-GOSISDBHSA-N 383.835 3.528 0 40 GHAB Cn1cc(-c2cccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)n2)cn1 257235616 GYQDVPYBPHJAPT-HSZRJFAPSA-N 385.471 3.604 0 40 GHAB CC[C@H](CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1)OC 257252974 JWZWDLFDJSQXMB-OAQYLSRUSA-N 382.504 3.629 0 40 GHAB Cc1cccc(Nc2cc(C)nc(C3CCN(Cc4cnn(C)c4)CC3)c2)n1 257278641 ODAJPAMQGKDCRP-UHFFFAOYSA-N 376.508 3.950 0 40 GHAB Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)CCc3nc(C)no3)n2)n1 257288600 PUWPIIDIEROBTN-QGZVFWFLSA-N 392.463 3.516 0 40 GHAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)n1 257292352 QLCGIQWCGZTUKW-GOSISDBHSA-N 396.466 3.624 0 40 GHAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cccc(O)n2)o1 257340200 ZFANJOBLJMNJBP-SFHVURJKSA-N 393.443 3.742 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@H](C)N(c1ccc(OCC)cc1)S(C)(=O)=O 260796109 UVZNIBDJOZVIES-DLBZAZTESA-N 398.569 3.572 0 40 GHAB O=Cc1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 408650761 BOOMCUAZBVXMKD-LBPRGKRZSA-N 378.211 3.764 0 40 GHAB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1)C(=O)c1ccccc1 408658109 UVRUZKKIERGUDG-QUCCMNQESA-N 379.456 3.861 0 40 GHAB CCOC(=O)N[C@H](CC(=O)NCCc1c[nH]c2ccccc12)c1ccccc1 408976322 ALFKVSQDTWJWQL-HXUWFJFHSA-N 379.460 3.704 0 40 GHAB CCc1oc2ccccc2c1Cc1nc(-c2ccnc(N3CCOCC3)c2)no1 528107893 CKXYJTJNOIOPIG-UHFFFAOYSA-N 390.443 3.868 0 40 GHAB CC(C)(C)Cc1nc2cc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[S@]4=O)ccc2o1 528974467 VLTPOWDGFXYGQR-OACFQNQOSA-N 389.521 3.934 0 40 GHAB Cc1ccc(-n2nc(C(=O)Nc3ccc(CC(=O)O)cc3)c3c2CCC3)cc1 543433751 RUFJFQOPYHXTJB-UHFFFAOYSA-N 375.428 3.549 0 40 GHAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)c1cc2ccccc2o1 575622148 WPEHAOKDQMTNOC-INIZCTEOSA-N 396.871 3.807 0 40 GHAB COc1ccc2cc([C@H](C)C(=O)Nc3nc(O)c4c(n3)CCCC4)ccc2c1 1129760038 VUEOSOLUCLAPFA-ZDUSSCGKSA-N 377.444 3.965 0 40 GHAB Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@@H]3C(=O)CCCC[C@@H]32)cc1 1547139808 KCTOZJBUOMNNBJ-ONTIZHBOSA-N 383.513 3.911 0 40 GHAB Cc1csc(C(=O)N2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)c1 1565554515 TYPCXWBBJVTZGQ-UHFFFAOYSA-N 386.492 3.993 0 40 GHAB CC(C)c1nccn1CC1CN(c2ncnc3ccc(Br)cc23)C1 2087147931 XNBSKKVMGYBDLH-UHFFFAOYSA-N 386.297 3.849 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1 633780 DKXVWSZLYGDTIP-UHFFFAOYSA-N 397.456 3.953 0 40 GHAB Fc1ccc(NC(=S)N2CCN(C(=S)Nc3ccc(F)cc3)CC2)cc1 672074 CBHIGBAZDGYQDF-UHFFFAOYSA-N 392.500 3.676 0 40 GHAB COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Br)c1 935458 OYYDDTSJKLGDLR-NSHDSACASA-N 378.222 3.642 0 40 GHAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2N)n1CC 1364504 KTKOMHZQKNMNLK-UHFFFAOYSA-N 381.505 3.840 0 40 GHAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)sc2c1CCCC2 1946510 LZLISXSBFPGBQI-GFCCVEGCSA-N 389.473 3.828 0 40 GHAB O=C(COc1c(-c2ccco2)oc2ccccc2c1=O)NCCc1ccccc1 1994427 KHSBQZFCVALFAL-UHFFFAOYSA-N 389.407 3.791 0 40 GHAB CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N(C)C1=S 3205477 MWIUXDGNKZAJGZ-LDADJPATSA-N 392.459 3.708 0 40 GHAB C[C@@H]1CCCCN1C(=S)NC(=O)c1cc(Br)ccc1Cl 3258863 FIOOZRZNHJNWSJ-SECBINFHSA-N 375.719 3.992 0 40 GHAB CN(Cc1ccccc1)C(=O)CSc1nnc(NCc2ccccc2)s1 3264073 GUMVXAKBVHYFNJ-UHFFFAOYSA-N 384.530 3.901 0 40 GHAB CC[C@@H](C)NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3460338 OERQUCOYGWJMGK-MRXNPFEDSA-N 377.444 3.611 0 40 GHAB COc1cc2[nH]c(C(=O)N3CCCC[C@H]3c3cccnc3)cc2c(OC)c1OC 4000512 OGWTVWXXFVGOGX-SFHVURJKSA-N 395.459 3.956 0 40 GHAB biogenic CCOc1cccc(N2C(=O)C[C@@H](N3CCC(c4ccccc4)CC3)C2=O)c1 4785217 ATTUGCUEQXGPOY-OAQYLSRUSA-N 378.472 3.597 0 40 GHAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1C 4816375 GVHNXJQLXLOODV-ZDUSSCGKSA-N 396.472 3.639 0 40 GHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCc2ccccc2C1 4935812 MJQGWGUAISDNRN-UHFFFAOYSA-N 390.512 3.822 0 40 GHAB COc1cc(CNc2nn[nH]n2)ccc1OCc1ccc(Cl)cc1Cl 4943027 QMTOMCRXUSWNBG-UHFFFAOYSA-N 380.235 3.706 0 40 GHAB CCCNC(=S)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 4967154 IAEDYNKTFXDHDV-UHFFFAOYSA-N 380.970 3.870 0 40 GHAB Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)N2 5015935 BLDWADXZEFHTOS-INIZCTEOSA-N 393.365 3.963 0 40 GHAB Cc1ccc(CNC(=O)CSc2nnc3ccc(-c4ccccc4)nn23)cc1 5167387 ZWDAEQHGVKHRGI-UHFFFAOYSA-N 389.484 3.508 0 40 GHAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 5215503 ZXVCFMVHYPOKLV-JXFKEZNVSA-N 391.423 3.526 0 40 GHAB Cc1ccc(-c2nn3c(C(C)C)nnc3c3ccccc23)cc1NS(C)(=O)=O 5322702 MAIMSBHEAYOFPB-UHFFFAOYSA-N 395.488 3.748 0 40 GHAB Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1 6479493 BUAMMXFPIBBDGU-BOPFTXTBSA-N 382.441 3.679 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 6652702 UQOBWMUJNSVGOG-JXFKEZNVSA-N 386.467 3.744 0 40 GHAB CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1C)S2 6812160 ZYTIRMMVWMYNGX-RTBURBONSA-N 393.516 3.937 0 40 GHAB COc1ccc(-n2nnc(-c3nc(-c4ccccc4C)no3)c2N)cc1Cl 6868251 UIDMGGACQHEUTO-UHFFFAOYSA-N 382.811 3.537 0 40 GHAB CC(C)(C)c1cc(NC(=O)COC(=O)c2ccccc2)n(-c2ccccc2)n1 6906318 MFXRNNDTVRZZKQ-UHFFFAOYSA-N 377.444 3.965 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nn3c(C)ccc3C)cc2)cc1 7360932 XFXHQWXJVUFYRD-UHFFFAOYSA-N 383.473 3.598 0 40 GHAB COc1cccc(NC(=O)CN(C)Cc2c(C)nn(-c3ccccc3)c2Cl)c1 7443011 BWGYAZSWWHCKQJ-UHFFFAOYSA-N 398.894 3.913 0 40 GHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NCc2cccc(Cl)c2)c1 7718715 WXZFNXFFBOZMMZ-IBGZPJMESA-N 388.895 3.811 0 40 GHAB O=C(COc1ccccc1F)Nc1ccccc1C(=O)NCc1ccccc1 7889282 RYXSXUOWDGPGDV-UHFFFAOYSA-N 378.403 3.773 0 40 GHAB Cc1cccc(C(=O)NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1 7898940 ALZSKMZEYWDONY-UHFFFAOYSA-N 382.847 3.955 0 40 GHAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2[nH]1 7986640 XVUBIPVWJIPDHJ-VLIAUNLRSA-N 394.450 3.568 0 40 GHAB CN1CCN(c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)CC1 7988831 XXTOUVLRRVXQFO-UHFFFAOYSA-N 379.382 3.589 0 40 GHAB COC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@@H]1c1cccs1 7990949 NTISQXNYQFAVSE-CYBMUJFWSA-N 391.518 3.584 0 40 GHAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCCn2ccnc2)cc1 8021827 LBTURWGKIKHEAQ-UHFFFAOYSA-N 386.455 3.500 0 40 GHAB COc1ccccc1OCCNC(=O)c1ccc(C2SCCS2)cc1 8071748 OGKLQKJSNQYDGY-UHFFFAOYSA-N 375.515 3.983 0 40 GHAB CCCS(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C 9169242 BORGLQVBHZWXJV-UHFFFAOYSA-N 382.526 3.636 0 40 GHAB CN(C)S(=O)(=O)c1ccc(SCc2csc(-c3ccccc3)n2)nc1 9378882 SDGSHFAMJPVHGC-UHFFFAOYSA-N 391.543 3.748 0 40 GHAB O=C(C[C@@H]1C(=O)Oc2ccccc2N1C(=O)c1cccs1)Nc1ccccc1 9926872 GVISOBVSSSSKKH-MRXNPFEDSA-N 392.436 3.711 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)c1cc(C2CC2)nn1-c1ccccc1 10235081 PZUQSPDDVRIGQZ-UHFFFAOYSA-N 397.482 3.925 0 40 GHAB O=C(NCCc1nc2ccccc2[nH]1)NCc1ccc(OC(F)(F)F)cc1 10356710 GGTBYORBAIWMLF-UHFFFAOYSA-N 378.354 3.503 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10368542 MPXDZEIWXJKVLK-KRWDZBQOSA-N 388.533 3.967 0 40 GHAB CC(=O)Nc1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1Cl 10947262 QZEXTPREBSWTIN-GOSISDBHSA-N 375.831 3.869 0 40 GHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc2c(c1)OCO2 11351775 FVSFPHNCPSFEHM-UHFFFAOYSA-N 380.366 3.895 0 40 GHAB O=C(CCc1nc(-c2ccsc2)no1)NCc1ccc(OC(F)F)cc1 11515336 SIXKLAKCXSHHQK-UHFFFAOYSA-N 379.388 3.649 0 40 GHAB Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccccc2C)n1 11854363 PHDULLMZKHRMNP-UHFFFAOYSA-N 391.456 3.553 0 40 GHAB Oc1c(Cl)cc(-c2nc3cnccn3c2NC[C@@H]2CCCO2)cc1Cl 12113831 MKSNNKZSCDYMDH-NSHDSACASA-N 379.247 4.000 0 40 GHAB COc1ccc(/C=C\C(=O)NCc2cc(-c3ccc(C)cc3)on2)cc1OC 12235562 VYZFELMDHAEFKH-XFFZJAGNSA-N 378.428 3.997 0 40 GHAB COc1ccc(N2C[C@@H](c3nc(-c4ccccc4Cl)no3)CC2=O)cc1OC 12414346 DYEHGQIVAXTGFD-LBPRGKRZSA-N 399.834 3.928 0 40 GHAB C[C@H](O)CNc1nc2ccccc2n1-c1nc(C(F)(F)F)nc2ccccc12 12534914 XUTXWNAVPWVKBQ-NSHDSACASA-N 387.365 3.780 0 40 GHAB O=C(Cc1csc(-c2ccccn2)n1)N1CCN(c2ccccc2Cl)CC1 12609760 LYIUXCBDQMUEOO-UHFFFAOYSA-N 398.919 3.750 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 12629346 GVCWRYMAZIHZPI-SFHVURJKSA-N 389.377 3.724 0 40 GHAB CCOc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1 12770650 FTYUSDXQKUKBGS-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB Cc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c(F)c1 12786843 XEPRUOPXFOACTG-UHFFFAOYSA-N 385.464 3.813 0 40 GHAB Cc1cc(F)ccc1NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 12801430 VKQMZFJPIPOFAT-UHFFFAOYSA-N 376.453 3.561 0 40 GHAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)c(OC)c1 12938572 CTOKJQUIKGAJJV-HNNXBMFYSA-N 396.487 3.993 0 40 GHAB CCn1c(=O)n(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c2ccccc21 12974583 PTNXBBJEXLCHIY-UHFFFAOYSA-N 392.286 3.788 0 40 GHAB Cc1ccccc1N(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccccc1 15398087 NNIHMDRFMALFDN-UHFFFAOYSA-N 398.459 3.968 0 40 GHAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2nn(C)cc2-c2cc(C)no2)cc1 19121302 RLFBPJWOBLULSV-LJQANCHMSA-N 394.475 3.688 0 40 GHAB Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)c2sc(C)nc2C)on1 19121354 ACEWLYXZFPBCNI-HNNXBMFYSA-N 385.493 3.824 0 40 GHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)C2CCC2)C1 19235456 ZVLFKWXKCUPRPG-RUZDIDTESA-N 390.527 3.969 0 40 GHAB Cc1ccccc1[C@@H](NC(=O)COc1ccc2nsnc2c1)c1ccncc1 19236901 OSTJJNDFDQITNE-NRFANRHFSA-N 390.468 3.679 0 40 GHAB Cc1ccccc1OC[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)C1 19237322 BJUYTUBSXUYUMV-ROUUACIJSA-N 397.471 3.809 0 40 GHAB Fc1ccccc1CN1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19348973 YOORTDIBMUYCNC-VNQPRFMTSA-N 383.393 3.617 0 40 GHAB CCOCc1ccc(C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)cc1 19531249 WMLQPNQTGSQBOB-HXUWFJFHSA-N 376.460 3.986 0 40 GHAB CC(C)CNC(=O)c1cccnc1[C@@H]1CCN(C(=O)c2cc3ccccc3o2)C1 19707948 LOJHDTSTOUVLBC-QGZVFWFLSA-N 391.471 3.843 0 40 GHAB Cc1cc(C)cc(-n2ccc3nc(N4CCc5ccccc5C4)ncc3c2=O)c1 19959025 QDPPTYSCTOCGMQ-UHFFFAOYSA-N 382.467 3.960 0 40 GHAB CC(C)=CC[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1(C)C 20161431 IIZCTMQLLDIIEZ-NQIIRXRSSA-N 384.520 3.688 0 40 GHAB COC(=O)c1cccc(NC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 20729828 OZLXORWOXUVSQJ-UHFFFAOYSA-N 381.432 3.743 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CCc1ccsc1 21901699 FPLDRTZHZGSXNA-UHFFFAOYSA-N 381.295 3.507 0 40 GHAB CN(C)CCC[C@@](O)(c1ccc(F)cc1)c1ccc(Br)cc1CO 21986077 FIXQPYBPVRAVND-LJQANCHMSA-N 396.300 3.658 0 40 GHAB Cc1ccccc1[C@H](C)NC(=O)COC(=O)CSc1nc2ccccc2o1 22067321 XYGIQRLMIGSFJM-AWEZNQCLSA-N 384.457 3.649 0 40 GHAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(Cc2ccco2)CC1 22934651 QNTZVHNVFBDTBY-CYBMUJFWSA-N 382.291 3.731 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cc1 23140910 YFBSWEQHZIZMMX-UHFFFAOYSA-N 389.502 3.675 0 40 GHAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1 27253260 CZKOBZBYLAGOKM-UHFFFAOYSA-N 398.506 3.918 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 27382231 HTVVIGQPOGFJBI-DOTOQJQBSA-N 399.491 3.933 0 40 GHAB COc1c(F)c(F)c(C(=O)Nc2ccc(Br)c(C)n2)c(F)c1F 32581075 RNTBNYOHSYSLOI-UHFFFAOYSA-N 393.134 3.970 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 32738079 QXQQRCZXEFPFNX-ZDUSSCGKSA-N 395.434 3.890 0 40 GHAB Cc1ccc(-n2c(S[C@H]3CCCCNC3=O)nc3ccccc3c2=O)c(C)c1 32871672 VITHFXZBCUTSSU-IBGZPJMESA-N 393.512 3.763 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)N3CCSc4ccccc43)CC2=O)cc1 32997863 OENJBEIMJYIZCJ-OAHLLOKOSA-N 382.485 3.577 0 40 GHAB N=C1c2ccccc2CN1CCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 33748276 KRQADAZEJJRJOA-WBIXSPHCSA-N 381.432 3.703 0 40 GHAB Cc1nnsc1-c1nn2c(-c3ccc(F)c(Br)c3)nnc2s1 36359090 RRQNGMXIKYYVSE-UHFFFAOYSA-N 397.258 3.581 0 40 GHAB Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCCCN(C)C)o2)cc1 39404186 PWTHNHRUKAWJGU-UHFFFAOYSA-N 399.516 3.846 0 40 GHAB O=C(Nc1c(F)c(F)c(F)c(F)c1F)N1CCN(Cc2cccs2)CC1 40096754 DHYJXKCKPRWLKJ-UHFFFAOYSA-N 391.365 3.793 0 40 GHAB CC(C)Sc1ncccc1C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 40121003 GPJDCMZQQYHJFF-OAHLLOKOSA-N 381.505 3.645 0 40 GHAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)N(C)C(C)C)CC3)s2)o1 41994795 RBGKAOXOCMFNOF-UHFFFAOYSA-N 389.521 3.739 0 40 GHAB Cn1ccnc1COc1ccc(CSc2nnc(-c3cccnc3)o2)cc1 42571336 MZECZZAWUYFKCW-UHFFFAOYSA-N 379.445 3.736 0 40 GHAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2CC)c1=O 51357667 KCURSIOLIJHWEM-UHFFFAOYSA-N 393.487 3.555 0 40 GHAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC([C@H](O)c2ccccc2)CC1 55274331 VDYDRZVWRKKFMD-GHTZIAJQSA-N 385.891 3.863 0 40 GHAB C[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 57335626 ROXAGBVOEWVBLJ-VIFPVBQESA-N 375.400 3.637 0 40 GHAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2csc(-c3cccnc3)n2)c1 57833956 XUPBDENLLIMHRQ-CYBMUJFWSA-N 383.473 3.642 0 40 GHAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)n1 61341755 VVWCZCNDHNBHBD-UHFFFAOYSA-N 392.478 3.650 0 40 GHAB CC[C@@H](Nc1nc(N(C)C)cc(C(F)(F)F)n1)[C@@H](O)c1c(F)cccc1F 72302504 LLXGUGGULLSWHV-IAQYHMDHSA-N 390.356 3.764 0 40 GHAB COCc1nn2c(O)cc(COc3ccccn3)nc2c1-c1ccc(Cl)cc1 72391390 PIXOKJUZLPKNJY-UHFFFAOYSA-N 396.834 3.876 0 40 GHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1cc(Cl)cc2c1OCOC2 79488890 HAENJLJOTIEUQZ-HNNXBMFYSA-N 395.868 3.701 0 40 GHAB Cn1ccnc1SCC1CCN(C(=O)c2ccccc2Br)CC1 90608172 KZHDUKRKNLKXLI-UHFFFAOYSA-N 394.338 3.827 0 40 GHAB COc1ccc([C@@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)c(OC)c1OC 95117711 MHJQHFCQANVFGH-AWEZNQCLSA-N 378.428 3.811 0 40 GHAB Cc1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@H]3C(=O)CCCC[C@@H]32)cc1 95951667 KCTOZJBUOMNNBJ-RZUBCFFCSA-N 383.513 3.911 0 40 GHAB biogenic O=C(Nc1ccccc1F)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 96012664 VRXSASSJZBTNLF-CQSZACIVSA-N 379.317 3.874 0 40 GHAB O=C(CCc1cccnc1)N1CC[C@@]2(CCCN2Cc2ccc(Cl)cc2)C1 96071081 OZRDNHUEBVJCAO-QFIPXVFZSA-N 383.923 3.935 0 40 GHAB Cn1c(=O)cc(C(=O)NCCCCCc2nc3ccccc3[nH]2)c2ccccc21 96118059 FQXJQPGJBIHPKQ-UHFFFAOYSA-N 388.471 3.558 0 40 GHAB O=C(Cc1cccc2ccccc12)Nc1cccc(C(=O)N2CCC(O)CC2)c1 97202628 CJUQPKRCYTWVHO-UHFFFAOYSA-N 388.467 3.618 0 40 GHAB Cc1ccc(CNC(=O)[C@H]2C[C@@H]3CC[C@]2(C)C[C@@]32NC(=O)c3ccccc3O2)o1 100178476 BHBTVKSATJLZAR-REIWIRAVSA-N 394.471 3.549 0 40 GHAB COc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)cc1 100750209 FWJSYLMVJZVMIJ-ROKPMTFOSA-N 395.547 3.858 0 40 GHAB CSc1ccc([C@H]2N=C(NC3CCCCC3)Nc3nc(C)cc(=O)n32)cc1 101983239 MCEIPFGBHYSEBU-SFHVURJKSA-N 383.521 3.524 0 40 GHAB Cc1nnc(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1Cc1ccccc1 106539413 JPNXWUXTYKWEKI-FCLVOEFKSA-N 384.549 3.668 0 40 GHAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc2c(C)cc(=O)oc2c1)c1ccccc1 107680325 RRUXZWQLTCXVSV-SFHVURJKSA-N 394.427 3.917 0 40 GHAB COc1ncccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 108094717 YFHBLQOIBFUTTA-KURKYZTESA-N 375.513 3.748 0 40 GHAB O=C(O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Cl)cc1 113882627 MBXYYWVFNAJJNN-UHFFFAOYSA-N 394.663 3.927 0 40 GHAB CC(C)Sc1ccc(CC(=O)Nc2nc3c(s2)C(=O)NCCC3)cc1 211129759 OOOFNUZGKUVTDD-UHFFFAOYSA-N 375.519 3.501 0 40 GHAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC)cc1 222527661 VKFPZWOBUAMZSI-MRXNPFEDSA-N 386.923 3.998 0 40 GHAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 222958236 TZJJALFKIRMXNV-FFZOFVMBSA-N 384.549 3.835 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 222993322 VTHLCWFEYCSJMH-UONOGXRCSA-N 398.351 3.525 0 40 GHAB CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@H](CC)C(=O)NC)cc1 223409218 ASLMLIGNWBIDBD-JOCHJYFZSA-N 396.531 3.744 0 40 GHAB Cc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3Cl)n2)cc1 223642420 KZEOTDCOIIMTSE-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223888401 CUJSHAGSIYXJEG-OXQOHEQNSA-N 389.517 3.742 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCC1CCCCC1 224101667 QCOMBUHJIVXLPF-UHFFFAOYSA-N 392.565 3.870 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224147676 BIGWMQIBAOEUOA-MRXNPFEDSA-N 386.533 3.705 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 224774483 AFTONQXICIUPKD-LJQANCHMSA-N 382.504 3.626 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 225456174 WBSCECHFCYEZHV-MSOLQXFVSA-N 384.495 3.743 0 40 GHAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C(=O)OC 225771769 ZCPZLGNPLDXCCR-UHFFFAOYSA-N 397.471 3.867 0 40 GHAB O=C(NCCCc1ccccc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 243789609 QKAQJDUJGHDKRV-INIZCTEOSA-N 390.405 3.807 0 40 GHAB Cn1nccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257232388 GKRLFVCAPCGISK-HNNXBMFYSA-N 384.867 3.672 0 40 GHAB CN(C)C(=O)N1CC[C@@]2(CN(CC3CC3)Cc3sc(-c4ccccc4)nc32)C1 306136614 PYLBBTIBYCDZCK-JOCHJYFZSA-N 396.560 3.661 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(=O)N1CCCC1 408591017 HUTJMUOSQTWKLQ-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB CSc1ccccc1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 408597947 WYBRUEHVBBJXBV-UHFFFAOYSA-N 393.534 3.987 0 40 GHAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F 408616618 ARBOMJXUTUZCDS-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409240859 QGOURRARDFQHGW-MHWRWJLKSA-N 386.835 3.840 0 40 GHAB Cc1[nH]nc2ncc(NC(=O)[C@@H]3C[C@H]3c3csc(Br)c3)cc12 528186519 KLLXKQRKOVIANZ-NWDGAFQWSA-N 377.267 3.833 0 40 GHAB COc1ccc(-c2cccc(C(=O)N(C)[C@@H]3CCN(C)C3)c2)c2cccnc12 534645916 YHKDQPUAXSYUSY-GOSISDBHSA-N 375.472 3.687 0 40 GHAB CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2nnc(C3CC3)o2)CC1 600866641 NEGBIPGJCQRZTB-SFHVURJKSA-N 397.475 3.536 0 40 GHAB CC(C)C[C@H](NC[C@@]1(OCCO)CCOC1)c1cccc(C(F)(F)F)c1 658147685 FHBBCKKRRWNOQW-ROUUACIJSA-N 375.431 3.550 0 40 GHAB O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ncnc2sccc12 666856708 AGPCNQRITBVBCO-UHFFFAOYSA-N 380.473 3.750 0 40 GHAB COC(=O)c1ccc(NC(=O)N(CC2CC2)C[C@@H]2CCCN3CCCC[C@@H]23)cc1 1565520616 YNYAWUICZRYKOA-FPOVZHCZSA-N 399.535 3.982 0 40 GHAB biogenic COc1ccc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c(C)c1 1615118137 ARTWAVDNGVMBRJ-HSZRJFAPSA-N 398.478 3.541 0 40 GHAB Cc1nn(C)cc1CCC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615159427 UNXUMLNFPKZMQV-NQIIRXRSSA-N 398.526 3.706 0 40 GHAB Cc1nnc(N2CCN(C(=O)c3sc4cc(F)ccc4c3Cl)CC2)s1 1638807456 UNDPRQYCRWNXMW-UHFFFAOYSA-N 396.900 3.816 0 40 GHAB Cn1cc(-c2ccc(CCNC(=O)c3ccc(C(F)(F)F)nc3)s2)cn1 1889187000 WNQQQVGHCNJESE-UHFFFAOYSA-N 380.395 3.535 0 40 GHAB O=C(CN1CCC[C@@H](c2nc3ccccc3o2)C1)NCCCc1ccccc1 24662945 NMUYNZREEQYTTJ-LJQANCHMSA-N 377.488 3.756 0 40 GHAB CC(C)Cc1n[nH]c(-c2nn3c(C(F)(F)F)nnc3s2)c1Br 79494509 CDYXXQFCGUDUPX-UHFFFAOYSA-N 395.208 3.556 0 40 GHAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C)c1cc2cccc(OC)c2o1 25195385 WSPQSVDLKRIPDO-ZDUSSCGKSA-N 376.412 3.745 0 40 GHAB COc1cccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@@](O)(C(F)(F)F)C2)c1 4009330 XVTAXVGWIVEPGG-KRWDZBQOSA-N 398.768 3.850 0 40 GHAB CN1CCN(c2ccccc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 7105762 GOLJNVBBOMLCTL-UHFFFAOYSA-N 387.911 3.888 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2c(F)cccc2F)c1C 7180514 ZDDXDRUSINMTEU-LLVKDONJSA-N 379.359 3.515 0 40 GHAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Oc1ccc(F)cc1 7657102 AXWNNLWRXLUYDQ-UHFFFAOYSA-N 377.371 3.961 0 40 GHAB CCOc1ccc(N2CC3=C(C2=O)[C@@H](c2ccc(Cl)cc2)NC(=O)N3C)cc1 35326719 GRZHKUNHISDGRI-LJQANCHMSA-N 397.862 3.736 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccc(F)c(F)c1 8041546 XDTMFQMUAWCIIW-UHFFFAOYSA-N 390.411 3.523 0 40 GHAB CNCCCNCc1cc(Br)ccc1OCc1ccccc1F 8377018 VFKXQFYJBCKLFX-UHFFFAOYSA-N 381.289 3.866 0 40 GHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)c1C 8414006 XHEBJCILQZRMRW-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl 54200485 MMRBKXBNLKRACX-UHFFFAOYSA-N 393.679 3.564 0 40 GHAB O=C(Cc1ccc2c(c1)CCCC2)NCc1cn2cc(Br)ccc2n1 58414351 FKDZNTDPADSWRV-UHFFFAOYSA-N 398.304 3.835 0 40 GHAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccccc3Br)CC2=O)cc1 28404904 OTBOXTIMFNFUDF-OAHLLOKOSA-N 387.277 3.745 0 40 GHAB COc1ccc(CNC(=O)/C=C/c2cc(C)n(-c3ccnn3C(C)C)c2C)cn1 10991577 MLFFJNNBOIAMIR-BQYQJAHWSA-N 393.491 3.605 0 40 GHAB CC(C)Cn1c(N)c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc21 2395969 JIZQEHWEZGMENM-UHFFFAOYSA-N 391.450 3.892 0 40 GHAB O=C(c1n[nH]c(=O)c2ccccc12)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166568 GLULBDLCSSQEBG-IRXDYDNUSA-N 377.419 3.613 0 40 GHAB C[C@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)NCc2ccccc2Cl)N=C1O 36594889 FYRBWWSUTJMOOW-KDOFPFPSSA-N 399.878 3.622 0 40 GHAB CCn1c(=O)c2ccccc2n2c(COc3ccc(Cl)c(Cl)c3)nnc12 29275417 WJYUXLWWINQKLB-UHFFFAOYSA-N 389.242 3.950 0 40 GHAB O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccccc1)c1ccccc1 11615546 NXTRVXYUXYNKNA-UHFFFAOYSA-N 381.453 3.853 0 40 GHAB CN(Cc1cccs1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 57377357 MTWKMWNIICZMHQ-UHFFFAOYSA-N 386.498 3.821 0 40 GHAB O=C(CSCc1ccccc1Br)NCc1ccc2c(c1)OCO2 58165042 PYPIJHGSZPMNDV-UHFFFAOYSA-N 394.290 3.727 0 40 GHAB C[C@H]1CC[C@H]2C(=O)N(c3ccc(OCC(=O)c4ccccc4)cc3)C(=O)[C@@H]2C1 102083492 IBZHGKZJJFODPM-CWFSZBLJSA-N 377.440 3.874 0 40 GHAB COc1cccc(N2CCN(Cc3cc(=O)oc4cc(C)cc(C)c34)CC2)c1 12445420 ZSGBGQODUDLXMR-UHFFFAOYSA-N 378.472 3.741 0 40 GHAB biogenic,in-vitro C[C@H]1CCCN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)C1 10541596 IODFXAXUKFZDPD-YCRPNKLZSA-N 384.501 3.926 0 40 GHAB COC(=O)c1cnc2c(c1)c(C)nn2CN1CCC(CCc2ccccc2)CC1 48289555 RVXUZQISAXJCNT-UHFFFAOYSA-N 392.503 3.829 0 40 GHAB CC(C)Cc1noc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)n1 12744362 CQOTUCCFBCOJIG-UHFFFAOYSA-N 396.476 3.855 0 40 GHAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1Cc1ccccc1 3326335 FEHQFUCXUMYKQQ-UHFFFAOYSA-N 397.452 3.785 0 40 GHAB CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2OC(F)F)n1 12805398 CUQAAYWJKWYINJ-BQYQJAHWSA-N 382.388 3.502 0 40 GHAB COc1ccc(Cl)cc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 3497609 JQFGUPWRBQHTIW-GFCCVEGCSA-N 375.808 3.735 0 40 GHAB C[C@H](OC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)C(N)=O 3468717 ARHVTHAGQPOVDN-NSHDSACASA-N 399.244 3.695 0 40 GHAB COc1cccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)c1 3484536 FCMCUVRKQXOMGR-UHFFFAOYSA-N 377.396 3.863 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCC[C@@H]2C)c1 13005643 NCORJLYDECOMNN-SUMWQHHRSA-N 386.945 3.679 0 40 GHAB CN(C)[C@H](CNc1ncnc2scc(-c3ccccc3)c12)c1cnn(C)c1 95960172 HEIPASXNLOGRDQ-QGZVFWFLSA-N 378.505 3.807 0 40 GHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2ccccc2OC)CC1 20460080 VROBZJFGSVIUBO-HXUWFJFHSA-N 382.504 3.818 0 40 GHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(c2ccccn2)CC1 9341708 UPFGDAUDYGAPQW-UHFFFAOYSA-N 384.439 3.852 0 40 GHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113945801 GVYXSQPOGLRFNN-SFHVURJKSA-N 389.499 3.998 0 40 GHAB O=C(CSc1ncnc2c1cnn2Cc1ccccc1)Nc1ccccc1F 5478634 XFWKUYHXULSFCT-UHFFFAOYSA-N 393.447 3.745 0 40 GHAB Cc1[nH]c(SCc2cc(=O)n3c(C)cccc3n2)nc1Cc1ccccc1 6657667 DOKZVVUJBUKCHG-UHFFFAOYSA-N 376.485 3.918 0 40 GHAB CCN(CC)CCC1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 4729233 MMJWMTCQDFWHCX-UHFFFAOYSA-N 379.460 3.535 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 9584087 DNIZQIAALMMVEQ-TXPKVOOTSA-N 395.569 3.656 0 40 GHAB Nn1c(SCc2ccccc2)nnc(Nc2ccc(Cl)cc2Cl)c1=O 28535727 RTQNIDXQMYAZIQ-UHFFFAOYSA-N 394.287 3.695 0 40 GHAB C[C@H](Sc1nc2sccc2c(=O)n1-c1ccccc1)C(=O)N1CCCC1 6907487 GXPIDZAJSRAOLL-ZDUSSCGKSA-N 385.514 3.550 0 40 GHAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc(C(=O)OC)c1 20490927 RREWJVQJUOWBAK-OAHLLOKOSA-N 399.443 3.591 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2C)c1 4944061 RKSLAVNEVQVXJX-UHFFFAOYSA-N 396.560 3.968 0 40 GHAB CCc1ccc(NC(=O)c2nnn(Cc3cccc(C(F)(F)F)c3)c2N)cc1 4934414 FXUMJGGCYYVHQU-UHFFFAOYSA-N 389.381 3.742 0 40 GHAB CCOc1ccc(S(=O)(=O)/C(=C/Nc2ccc(CC)cc2)C(=O)OC)cc1 67340344 YHNZATGCJLSPHG-XMHGGMMESA-N 389.473 3.548 0 40 GHAB O=C(NCc1ccc(Oc2cccnc2)c(F)c1)NC[C@@H](O)c1ccc(F)cc1 67647024 VZFFVHDNIAAYNP-LJQANCHMSA-N 399.397 3.685 0 40 GHAB Cc1cc(C)n2c(S[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)nnc2n1 7779994 DCIOODBLHNXDCA-SECBINFHSA-N 397.291 3.562 0 40 GHAB Cc1noc(N)c1C(=O)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 16326635 PZDVSJHIAQAAIO-LJQANCHMSA-N 375.384 3.828 0 40 GHAB Cc1cc(C)cc(-n2ccnc(SCC(=O)N(C)c3ccccc3)c2=O)c1 4484256 IXGQGJZSJHOPGE-UHFFFAOYSA-N 379.485 3.604 0 40 GHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(COc2ccccc2)o1 8394217 QISREESIZLYYTQ-SFHVURJKSA-N 379.412 3.771 0 40 GHAB O=C(COc1ccc(C2SCCCS2)cc1)NCCCCn1ccnc1 60408003 PFIJAMYFSHTZML-UHFFFAOYSA-N 391.562 3.727 0 40 GHAB COc1ccccc1CNc1nc2ccccc2c2nc(-c3ccncc3)nn12 6805462 DBIGGOBASAVLIS-UHFFFAOYSA-N 382.427 3.960 0 40 GHAB Cc1cc(C)cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 21668036 AREXAYWRYGMYDI-UHFFFAOYSA-N 386.517 3.659 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)nc2O)cc1 27526156 FPQWHQOACBEOBB-UHFFFAOYSA-N 380.473 3.900 0 40 GHAB O=C(CSCc1ccccc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 409350063 SIXTVPFEOCCHPV-SFHVURJKSA-N 394.418 3.807 0 40 GHAB CC(C)n1cnc([C@@H]2CN(Cc3ccsc3)C[C@@]23CCN(CC2CC2)C3=O)c1 306139066 SOJBMFGFNBFBSR-UGKGYDQZSA-N 398.576 3.754 0 40 GHAB COc1ccc2[nH]c(C)c(C(=O)CN3CCc4cc(OC)c(OC)cc4C3)c2c1 34847907 LBPHNNDFAFIZLC-UHFFFAOYSA-N 394.471 3.743 0 40 GHAB biogenic CCCOc1ccc(N2C[C@@H](C(=O)NCc3cccc(Cl)c3)CC2=O)cc1 408706578 BWASHBKNXWMQLO-INIZCTEOSA-N 386.879 3.798 0 40 GHAB Cc1cc(Oc2ccccc2C)nc([C@@H]2CCCN2C(=O)c2nccn2C)n1 72384419 RJKBGKKJSOTABM-INIZCTEOSA-N 377.448 3.597 0 40 GHAB CCn1nc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)cc1C 36616400 KIPJHIOZIZSARN-UHFFFAOYSA-N 388.475 3.874 0 40 GHAB O=C(c1cnccn1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72358747 RAYLVMDAHIICBF-OAHLLOKOSA-N 379.851 3.607 0 40 GHAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)c1ccccc1 217420384 CNJBWOBXYIDZHZ-AWEZNQCLSA-N 376.478 3.636 0 40 GHAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 72372670 FMDUZMAXOMOLBW-IBGZPJMESA-N 395.507 3.672 0 40 GHAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 72372671 FMDUZMAXOMOLBW-LJQANCHMSA-N 395.507 3.672 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 44884875 SAXSERZHVOBSMZ-MRXNPFEDSA-N 384.476 3.592 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 222534427 FYZHEOZENSJDAP-CYBMUJFWSA-N 379.287 3.699 0 40 GHAB O=C(O)C[C@H](CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 223107282 UWVQRFDWFJTOCL-ZDUSSCGKSA-N 375.808 3.698 0 40 GHAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 223247876 QFTGXYWVLQSDAO-LEWJYISDSA-N 397.592 3.922 0 40 GHAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 224540711 KEERMNPPVZNLJI-QFIPXVFZSA-N 396.531 3.880 0 40 GHAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)Cc1ccccc1 224672907 VHUKTWHNJXCWMM-QGZVFWFLSA-N 382.479 3.844 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 223994488 RHQWOWSNRODWMD-PMACEKPBSA-N 391.500 3.556 0 40 GHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 225065538 PXTVTIMTJWCZPI-HXUWFJFHSA-N 380.532 3.832 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1 44900997 KVWCCWFVIFHFJN-UHFFFAOYSA-N 399.299 3.599 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1Cl 223046126 VKJJNKBRHNCSEK-SFHVURJKSA-N 388.895 3.581 0 40 GHAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)C1(c2cccs2)CCCC1 225807213 LFOLEKLCTPXJHX-UHFFFAOYSA-N 394.422 3.938 0 40 GHAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)ccc1Cl 225066475 AIUJWVYJXRNDDT-NSHDSACASA-N 376.865 3.968 0 40 GHAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc(-c3cc(C(=O)O)ccc3Cl)o1)CC(=O)O2 95475179 HFLSLSFBHNDHHB-GFCCVEGCSA-N 399.786 3.736 0 40 GHAB O=C(c1cccc(F)c1)N1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257306957 SWSFAYNBDIFXOP-IBGZPJMESA-N 384.382 3.757 0 40 GHAB COC(=O)c1c(CN2CCC(O)CC2)nc2ccccc2c1-c1ccccc1 26859111 GKGHDYSALIJXED-UHFFFAOYSA-N 376.456 3.645 0 40 GHAB Cc1nc(-c2cccc(C(=O)O)c2)cc([C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257291049 QFJLOVUATMBLLK-KRWDZBQOSA-N 381.476 3.902 0 40 GHAB CCN1C(=O)CC[C@@H](C(=O)NCCc2ccccc2OC)[C@@H]1c1ccc(C)cc1 257258865 KVVLAZVTYRKKAJ-OFNKIYASSA-N 394.515 3.662 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(-c4ccco4)nn3C)cc2F)n1 1116811785 YMSBVZVDEXKLPC-UHFFFAOYSA-N 379.395 3.874 0 40 GHAB CCOc1ccc(C[C@@H](C)CNC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc1 663212919 JWEASZOIKXVUQE-MRXNPFEDSA-N 384.524 3.781 0 40 GHAB COc1cc(NC(=O)N[C@H]2CCCCc3cc(Br)ccc32)nn1C 666759617 NZAJALHHCBYBTR-AWEZNQCLSA-N 393.285 3.780 0 40 GHAB O=C(NCCOc1ccccc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96102820 XULYBEWMTHRMNK-UHFFFAOYSA-N 398.488 3.766 0 40 GHAB CC(C)CS(=O)(=O)C1CN(C(=O)c2cccc(Oc3ccc(F)cc3)c2)C1 96380025 QQSWPUURUNQFCT-UHFFFAOYSA-N 391.464 3.513 0 40 GHAB Cc1ccn(-c2ccccc2NC(=O)N[C@@H]2CCO[C@H]2c2cnn(C(C)C)c2)n1 585100158 CJSZEGVBLFGNEG-QUCCMNQESA-N 394.479 3.610 0 40 GHAB C[C@H]1CN(c2ccc(CNC(=O)CCCc3ccc(Cl)cc3)cn2)CCO1 44552984 HCNDZHTVSQDZSH-INIZCTEOSA-N 387.911 3.599 0 40 GHAB O=S(=O)(CCN1CCC(Cl)=C(Cl)C1)c1ccc(Br)cc1 95995984 ZFKSJZCJPINRBJ-UHFFFAOYSA-N 399.137 3.618 0 40 GHAB Cc1cccc(OCC(=O)Nc2ccc(I)cc2C)c1 940161 RKJCMNOSUGUKRN-UHFFFAOYSA-N 381.213 3.926 0 40 GHAB Cn1c(N2CCC[C@@H](COc3ncccc3C(F)(F)F)C2)nc2cccnc21 1775972731 SVRLIPHMCXOOEJ-CYBMUJFWSA-N 391.397 3.678 0 40 GHAB Cc1cc(NC(=O)c2cccnc2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 5000931 RCLNLYOTYKUVMD-UHFFFAOYSA-N 387.361 3.871 0 40 GHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4ccccc4F)C3)cc2n1 12257863 ATMPZICUTOIEJI-LBPRGKRZSA-N 392.356 3.825 0 40 GHAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 17080578 SYVGAJWHGROYRF-VSZNYVQBSA-N 394.452 3.780 0 40 GHAB COc1cccc(CN2CCCC[C@H]2c2cc(O)nc(-c3ccccn3)n2)c1 19565224 KDBHYXYYMMXAKC-FQEVSTJZSA-N 376.460 3.980 0 40 GHAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 169620072 VRJYAOSQBPBCPN-HYRRULHTSA-N 380.878 3.986 0 40 GHAB CC(C)(C)n1cc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cn1 522703211 VRWBCGSURYVOJG-UHFFFAOYSA-N 396.348 3.629 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1oc2ccccc2c1C 3296232 ICRNIKAVMFYRFL-UHFFFAOYSA-N 381.384 3.713 0 40 GHAB O=c1[nH]c(CSc2nnc(Cc3cccs3)n2C2CC2)nc2ccccc12 5165963 GZNOQKNJZUBYPW-UHFFFAOYSA-N 395.513 3.794 0 40 GHAB Cc1cnc(C(=O)OCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cn1 5405091 GHIYGNFTWCKUPL-UHFFFAOYSA-N 385.423 3.983 0 40 GHAB COc1cccc(CN2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)c1 1203819513 WTBZUGGECJBTPC-UHFFFAOYSA-N 382.479 3.992 0 40 GHAB COc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)CSC3)cc1 4087542 JEMVDTYCSWFXQN-UHFFFAOYSA-N 395.440 3.609 0 40 GHAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4374168 KDBZUQYBXQERSO-AWEZNQCLSA-N 381.329 3.772 0 40 GHAB O=C(CSc1ncnc2c1cnn2-c1cccc(Cl)c1)N1CCCCC1 4341691 XZXPHYZGIHNQEU-UHFFFAOYSA-N 387.896 3.574 0 40 GHAB COc1ccc(NC(=O)C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 10325785 ZFMTXCBCOOOTFP-UHFFFAOYSA-N 388.467 3.972 0 40 GHAB CC(C)(C)C(=O)N1CCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21 13696504 BGLLXJLRLVETRO-UHFFFAOYSA-N 376.453 3.562 0 40 GHAB O=S(=O)(NCC1(c2cccs2)CCOCC1)c1cccc2ccccc12 23238637 RKQXZQNVMDAJLZ-UHFFFAOYSA-N 387.526 3.928 0 40 GHAB C[C@@H]1Cc2ccc(-c3cc(CNC(=O)c4cc(-c5ccco5)on4)no3)cc2O1 38755356 XRNVJNLDFMBNCH-GFCCVEGCSA-N 391.383 3.843 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38946523 VQAXVWBLGWTUNC-FWEDTRJPSA-N 394.902 3.828 0 40 GHAB Cn1cc(-c2cncc(CNC(=O)Nc3ccc(C(F)(F)F)cc3)c2)cn1 575614971 AXPGGMAYMQHZRI-UHFFFAOYSA-N 375.354 3.823 0 40 GHAB COc1ccccc1CNC(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 40139384 CMAAVGZJLBLPRR-NRFANRHFSA-N 389.455 3.874 0 40 GHAB O=C(NCCSCc1ccc(Br)s1)[C@H]1Cc2ccccc2O1 30513427 PKTTXUJGSBCIKL-CQSZACIVSA-N 398.347 3.864 0 40 GHAB Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@H](C)c2cccc(F)c2)cs1 40130448 ACGIJUMGTUVNIP-NSHDSACASA-N 387.436 3.856 0 40 GHAB O=C(CCNC(=O)c1ccco1)Nc1ccccc1N1CCc2sccc2C1 40134168 QNINFWFNHYAJFZ-UHFFFAOYSA-N 395.484 3.662 0 40 GHAB O=C(CCNC(=O)c1ccoc1)Nc1nc2ccccc2n1C1CCCCC1 40145761 VLQJKYRWXZRPNT-UHFFFAOYSA-N 380.448 3.893 0 40 GHAB C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 31392826 TUBZUZBRQUJFGN-OCCSQVGLSA-N 385.514 3.840 0 40 GHAB CC(C)n1ncc2c(C(=O)Nc3nc4c(s3)CN(C)CC4)cc(C3CC3)nc21 32675532 WIBGBWOVVAQYLK-UHFFFAOYSA-N 396.520 3.586 0 40 GHAB CCCc1ccc([C@H](NC(=O)c2cnn(-c3ccc(O)nn3)c2C)C(C)C)cc1 32754816 CUPWWYPRBOOBTE-OAQYLSRUSA-N 393.491 3.756 0 40 GHAB CC(C)(C)c1n[nH]c(SCc2nnc(-c3ccc(Br)o3)o2)n1 32883984 KVBQUXIOGQHDRB-UHFFFAOYSA-N 384.259 3.800 0 40 GHAB O=C(NCCOc1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1 32862536 FSOPZWLUCHJACI-UHFFFAOYSA-N 387.911 3.683 0 40 GHAB CCc1c(C(N)=O)cnn1-c1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 32915502 DDCNNPJXNUGIPY-UHFFFAOYSA-N 386.814 3.578 0 40 GHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CCC[C@H]1c1ccccc1 23055140 WYJCSUKDDNJVKE-INIZCTEOSA-N 393.512 3.770 0 40 GHAB Cc1cc(C)c(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(C)c1 958492 JMZQNWOXYYRXRE-LLVKDONJSA-N 396.516 3.542 0 40 GHAB CC(=O)c1cc(CCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)oc1C 23777928 UHLGDOZFKFLIQC-FQEVSTJZSA-N 383.423 3.502 0 40 GHAB Cc1ccc(OCC(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1C 96004488 XSCGDZGQJKKVMO-UHFFFAOYSA-N 379.435 3.592 0 40 GHAB CCOc1cc(/C=C2/NC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1 1204384 XAHURXCUGPWDDM-OQLLNIDSSA-N 388.876 3.663 0 40 GHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(-n3ccnc3)nc2)cs1 24781038 FZUKIGGQSDHVHL-UHFFFAOYSA-N 387.468 3.902 0 40 GHAB COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(OC)c(OC)c3)nc1-2 792516 PRAMYZNYDIVHFR-UHFFFAOYSA-N 382.441 3.992 0 40 GHAB CCc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nnc1-c1cccnc1 1328614 RWIFOBIUAKIMQQ-UHFFFAOYSA-N 395.532 3.899 0 40 GHAB O=C(Cn1c(-c2ccccc2)noc1=O)Nc1ccc(Oc2ccccc2)cc1 1332544 GQQSWWFYMWOBEO-UHFFFAOYSA-N 387.395 3.934 0 40 GHAB COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1OC 1363149 RLQKSLMCAHHVLJ-KRWDZBQOSA-N 393.443 3.774 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2F)cc1 3368546 XDKPHNGYRIEOMU-ZDUSSCGKSA-N 396.509 3.632 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccncc1 4800282 HTEMFECSXXVOHW-UHFFFAOYSA-N 395.488 3.684 0 40 GHAB Cc1ccc2nc(COc3cccc(C(=O)N(C)C[C@@H]4CCCOC4)c3)cn2c1 107649345 LNZRHEWSJKFXRJ-SFHVURJKSA-N 393.487 3.720 0 40 GHAB CCOc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)c(OC)c2)s1 7345146 ZMOJETPIYQAEND-UHFFFAOYSA-N 385.445 3.873 0 40 GHAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 100750241 JHPBQUQFLRXRBS-FVJLSDCUSA-N 397.567 3.941 0 40 GHAB COc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c1 57486574 ZOQYHSQIIKZBCN-UHFFFAOYSA-N 392.390 3.992 0 40 GHAB FC(F)(F)Oc1ccc(Nc2nnc(SCc3ncon3)s2)cc1 12534264 WCLCFUQLGQRADX-UHFFFAOYSA-N 375.357 3.856 0 40 GHAB O=C(CCC(=O)OCC(=O)Nc1ccccc1)Nc1ccc(Cl)c(Cl)c1 8412462 GBAPQQANRLDSEI-UHFFFAOYSA-N 395.242 3.894 0 40 GHAB CCc1ccc(C(=O)NC(=S)Nc2nc3ccc(C(=O)OC)cc3s2)cc1 8904299 BWTBVQGNHIQQLV-UHFFFAOYSA-N 399.497 3.772 0 40 GHAB CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 3245088 GAKHJIMGNZLPNG-MRXNPFEDSA-N 382.460 3.919 0 40 GHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1NCC(F)(F)F 58158099 IWINTXCILLLZQC-UHFFFAOYSA-N 375.354 3.802 0 40 GHAB O=C1CC[C@]2(C(=O)OCc3ccc(-n4cccn4)cc3)Sc3ccccc3N12 9385008 FSCVPTVOQRRROG-OAQYLSRUSA-N 391.452 3.545 0 40 GHAB CN(C)c1ccc(NC(=O)NC[C@H](O)c2ccccc2F)c(C(F)(F)F)c1 58377782 NIUSCLRJCXJKGH-INIZCTEOSA-N 385.361 3.766 0 40 GHAB O=C(Nc1nccs1)C1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1 58405724 IQRFUDOCSBPZAJ-GJZGRUSLSA-N 389.908 3.777 0 40 GHAB O=S(=O)(N1CC=C(c2c[nH]c3cc(F)ccc23)CC1)N1CCCCCC1 36396963 IWONUKWGOSBALV-UHFFFAOYSA-N 377.485 3.517 0 40 GHAB C[C@H](Sc1nnc(COc2ccc(F)cc2)o1)c1nc2ccccc2c(=O)[nH]1 11195722 FFBPIZVOXUDTBC-NSHDSACASA-N 398.419 3.878 0 40 GHAB Cc1ccc(CCC2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)CC2)cc1 28743207 HDZDUJXZWYBDEH-NRFANRHFSA-N 394.515 3.808 0 40 GHAB Cc1cccc(NC(=O)COc2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)c1 2407671 FRFOTAKNOLRGRH-UHFFFAOYSA-N 399.450 3.926 0 40 GHAB O=C(CSc1nc2ccccc2nc1-c1ccccc1)NC[C@@H]1CCCO1 2479659 CCPCGRFRTCCPPO-INIZCTEOSA-N 379.485 3.684 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1F 113943250 BPIGGWGPYUGGLS-UHFFFAOYSA-N 390.480 3.807 0 40 GHAB Cc1cccc(C(=O)N[C@H](C(=O)OCc2cn3cc(Cl)ccc3n2)C(C)C)c1 11422070 XYHJDOVVNUKKON-IBGZPJMESA-N 399.878 3.794 0 40 GHAB O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)Nc1cccc2cnccc12 11666906 IIHXFIJJQJIIHK-UHFFFAOYSA-N 381.391 3.623 0 40 GHAB O=C(N[C@H](c1ccccc1)c1cccs1)[C@@H]1CCCN(c2cnccn2)C1 29860284 WOTBPVFLSKXAPZ-YLJYHZDGSA-N 378.501 3.660 0 40 GHAB CCn1ncc(CN(C)C(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1C 2780267 GENCGFYHDZNVTO-UHFFFAOYSA-N 389.887 3.592 0 40 GHAB CCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc21 37868126 MTKOUXOWVFPMML-UHFFFAOYSA-N 380.473 3.524 0 40 GHAB aggregator O=C(CCc1nc2ccccc2[nH]1)NC[C@@H]1CCCCN1Cc1ccccc1 62228632 NVBRDVVXECPYII-IBGZPJMESA-N 376.504 3.666 0 40 GHAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(OCC(F)(F)F)nc1 12755745 OZUXRIHIOZOIRD-UHFFFAOYSA-N 393.409 3.549 0 40 GHAB Cc1ccc(NC(=O)/C=C/c2ccc(F)c(Cl)c2)cc1S(=O)(=O)N(C)C 12782024 KPVHXQXDVYVPNG-RMKNXTFCSA-N 396.871 3.690 0 40 GHAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)C[C@H](O)C(F)(F)F 95464849 ONXPDKJDTDQYRG-NSHDSACASA-N 378.803 3.767 0 40 GHAB Cc1ccc(C)c(OCCCN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1 12824320 UGNLVPFRPCJTMP-HXUWFJFHSA-N 391.471 3.717 0 40 GHAB CC(C)c1nnc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)s1 12805336 CNJXXSZHADFKOR-CMDGGOBGSA-N 384.505 3.552 0 40 GHAB CC(C)N(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(C)C 3437813 MFTRZACYUFVHFB-UHFFFAOYSA-N 386.867 3.756 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1cccc(Cl)c1Cl 3592899 RECWZXBZDFYMOY-UHFFFAOYSA-N 384.263 3.577 0 40 GHAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 24675300 MKKMTEUKWJIISA-UHFFFAOYSA-N 394.321 3.657 0 40 GHAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)Cc1ccc(F)cc1 13040429 YBYWUDYXJWCZPS-UHFFFAOYSA-N 395.434 3.867 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4385243 AFIJXLPWOYXNNK-NSHDSACASA-N 379.243 3.994 0 40 GHAB C[C@H](NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1)c1cccc(F)c1 65551211 SRZVVOYFWODRBO-QWRGUYRKSA-N 376.482 3.873 0 40 GHAB O=C1C[C@]2(CC(c3ccc(Cl)cc3)=NO2)C(=O)N1c1cccc(Cl)c1 5323562 XZRYZQOLWPNDNK-GOSISDBHSA-N 375.211 3.820 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2[nH]c3ccc(Br)cc3c2C)C1 5451916 WVBXKQMUJZBHFO-LBPRGKRZSA-N 393.281 3.654 0 40 GHAB Cc1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 24607641 YBFQAAVESLVDQV-UHFFFAOYSA-N 396.443 3.949 0 40 GHAB CCCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1C)S2 6812163 ZYTIRMMVWMYNGX-OALUTQOASA-N 393.516 3.937 0 40 GHAB Cc1cc2nc(SCC(=O)Nc3ccccc3Cl)n(C(C)C)c(=O)c2[nH]1 67235882 YIQHCGHQYVUUKS-UHFFFAOYSA-N 390.896 3.998 0 40 GHAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2c3c(nc4ccccc24)CCC3)cc1 7119847 QNKQFXVCLFQETH-AWEZNQCLSA-N 390.439 3.916 0 40 GHAB O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccnc2ccccc12 68577569 VOFGYECLOSCBCG-UHFFFAOYSA-N 375.274 3.698 0 40 GHAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 7901072 FZEWBCXSYPDSKS-PXRHCINRSA-N 398.532 3.838 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc3ccccc3[nH]2)cc1 8093712 MGMOMCWIJHHHNO-HNNXBMFYSA-N 399.516 3.689 0 40 GHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 8131105 JSSZJERPCFOVCC-UHFFFAOYSA-N 388.533 3.507 0 40 GHAB CCOc1ccc(-c2nonc2NC(=O)c2cccc(OC)c2)cc1OCC 16753876 PXEYUDSNJALNTF-UHFFFAOYSA-N 383.404 3.795 0 40 GHAB CCOc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)ccc1Br 19909581 JOCMNLXJAZUTEA-RISCZKNCSA-N 376.316 3.705 0 40 GHAB CC(=O)c1cccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 8310285 OFQVQDHKDWCVDO-FQEVSTJZSA-N 394.471 3.826 0 40 GHAB CN(CCOc1ccccc1Cl)C(=O)Cc1ccc(N2CCCC2=O)cc1 8393076 CKMXBNAAXLONSM-UHFFFAOYSA-N 386.879 3.547 0 40 GHAB C[C@@H]1CN([C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)C[C@@H](C)O1 19315595 KLADKBTYRMALAX-LUHKTGFWSA-N 391.726 3.622 0 40 GHAB Cc1cc(C)nc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)c1 95972413 LDLJWDGTVOIVEG-UHFFFAOYSA-N 395.912 3.633 0 40 GHAB CC[C@@](C)(CO)NC(=O)Nc1cc(-c2nc3cc(F)ccc3n2C)ccc1C 95964379 ZYTOSWYGJJUTGH-NRFANRHFSA-N 384.455 3.970 0 40 GHAB Cc1cc(Br)cc(C)c1NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 97577473 QIARYAKOZQTMNX-INIZCTEOSA-N 398.345 3.640 0 40 GHAB CN(CCCNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1)Cc1ccccc1 9919881 SEQIMEGZRODZJF-UHFFFAOYSA-N 398.507 3.926 0 40 GHAB Cc1ccccc1C(=O)N1CC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306123554 APZIEXBGKAXTGM-IBGZPJMESA-N 383.455 3.729 0 40 GHAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(CC(=O)O)cc2)cc1 20152857 WHPIFUPAZIKRGD-UHFFFAOYSA-N 386.473 3.619 0 40 GHAB COc1ccc(-c2nnc(CN(C)C(=O)c3cc(C)cc(C)c3)o2)cc1OC 408714363 PDQHHEXUDWHCEF-UHFFFAOYSA-N 381.432 3.643 0 40 GHAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccccn3)C2=O)c(C)c1 409371035 ALLNNRPEQKQLBE-YBEGLDIGSA-N 381.457 3.682 0 40 GHAB CCc1ccccc1N(CC(=O)N[C@@H](C)c1cc(C)ccc1C)S(C)(=O)=O 22329795 STUIADKYCZXOOL-KRWDZBQOSA-N 388.533 3.509 0 40 GHAB COc1ccc(CNC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)cn1 25067150 YBTJQOAFESHWFB-UHFFFAOYSA-N 394.456 3.902 0 40 GHAB COC(=O)[C@@H](NC(=O)c1ccc(C)cc1)c1nnc(Nc2ccc(C)cc2)s1 32593943 NVGNORMBTRXJQS-INIZCTEOSA-N 396.472 3.543 0 40 GHAB COc1cc2c(cc1OC)[C@H](NC(=O)C1(c3ccccc3)CCOCC1)CC2 524735404 AQCBMNXRMHZWCL-LJQANCHMSA-N 381.472 3.556 0 40 GHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCC[C@@]3(O)C[C@H]4CC[C@H]3C4)c12 552234952 CSYXNKHEJFCATK-WSZRMNBISA-N 391.471 3.869 0 40 GHAB CCn1cc(NC(=O)c2cc(C)nc3onc(-c4cccc(OC)c4)c23)cn1 36619234 XPCIURGLXNISCH-UHFFFAOYSA-N 377.404 3.676 0 40 GHAB O=C(Cc1ccncc1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 72359585 JDMDKQYLIRJHPF-UHFFFAOYSA-N 376.435 3.626 0 40 GHAB Cc1cc(F)ccc1[C@@H](C)NC(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1565319875 QZRQYEWHOKABNC-SJORKVTESA-N 383.467 3.890 0 40 GHAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccc(C2CC2)cc1 565764897 USGVHMJCZSOKSM-AWEZNQCLSA-N 384.501 3.878 0 40 GHAB COc1ccc(CCC(=O)NCCCN2CCCc3ccccc32)cc1OC 219283326 ARENNGZPEUBALM-UHFFFAOYSA-N 382.504 3.596 0 40 GHAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1C 39768079 DMZOEIMPXHVEGZ-UHFFFAOYSA-N 380.488 3.941 0 40 GHAB CCCc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 223981662 OOIHAJTVZORDMX-UHFFFAOYSA-N 383.897 3.658 0 40 GHAB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C)cc1 222753741 XGCPMPNDLCSGCP-VQTJNVASSA-N 378.501 3.873 0 40 GHAB Cc1cc(Cl)ccc1N(CCCC(=O)NCC1=CCCCC1)S(C)(=O)=O 224767300 CISLIUBCOSWMAG-UHFFFAOYSA-N 398.956 3.811 0 40 GHAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C 225782951 ZYNCJBMULVSPSN-UHFFFAOYSA-N 389.455 3.971 0 40 GHAB CC(C)c1ccc(C[C@@H](C(=O)O)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225157555 PCQYWUISSBCOTE-SFHVURJKSA-N 395.908 3.780 0 40 GHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 224553003 WRQDWHBBGFVSRW-CYBMUJFWSA-N 392.546 3.969 0 40 GHAB CCCSc1ncc(Cl)c(C(=O)NCC(=O)Nc2ccc(Cl)cc2)n1 46086961 UIKLOXJKUDYEPX-UHFFFAOYSA-N 399.303 3.654 0 40 GHAB Cc1ccc(N(CCCC(=O)NCC2CCCCC2)S(C)(=O)=O)cc1C 224055323 FPTYWWVEUBWGFD-UHFFFAOYSA-N 380.554 3.546 0 40 GHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 223664298 QWNDLPJSMDDBSH-UHFFFAOYSA-N 380.488 3.902 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 222997017 KZAJALHHWDKJAI-NRFANRHFSA-N 382.504 3.544 0 40 GHAB CCN(CC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C 225934955 CZTPMIDWTLNLCW-UHFFFAOYSA-N 388.533 3.878 0 40 GHAB CCN(c1ccc(C(=O)NCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 224353089 PEEMYCPHZYXEGF-UHFFFAOYSA-N 394.496 3.832 0 40 GHAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 224738984 HUAXACQZUVSUBF-QGZVFWFLSA-N 398.569 3.574 0 40 GHAB O=C(NCc1nnc2ccccn12)c1cc2cc(Br)ccc2s1 95473450 FXQAAAVNCGOICA-UHFFFAOYSA-N 387.262 3.637 0 40 GHAB Cc1ccc(C(C)(C)CN(C)C(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)cc1 583795856 AZRPEWURVWMAAP-MOPGFXCFSA-N 384.524 3.568 0 40 GHAB Cc1cc(NC(=O)[C@@H]2CCC(=O)c3cccn32)n(-c2nc3ccccc3s2)n1 501843946 CRROXYYAMAWLCV-HNNXBMFYSA-N 391.456 3.748 0 40 GHAB CCOc1ccc(NC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 242752769 DHULOAGGBJYWBJ-UHFFFAOYSA-N 382.460 3.585 0 40 GHAB Cc1c(NC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)cccc1N(C)C 529044499 LTOFRAGKIVIQQN-UHFFFAOYSA-N 377.492 3.896 0 40 GHAB Cc1cccc(Nc2ccc([C@H]3CN(c4nc(C)cc(C)n4)CCO3)nc2)n1 257240288 HSWQMCYNBBSQOC-LJQANCHMSA-N 376.464 3.513 0 40 GHAB Cc1ncsc1C(=O)N1CCC[C@H]1CCc1cnc(-c2c(C)noc2C)cn1 257215367 CPTPGMVZWVNKBZ-INIZCTEOSA-N 397.504 3.751 0 40 GHAB O=C(c1cc(-c2cccs2)n[nH]1)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 253471686 DYGNCFQGJMYOTI-GJZGRUSLSA-N 391.456 3.545 0 40 GHAB Cc1cc(Nc2ncc(F)c(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)[nH]n1 257289755 QABBYKSSDGYKBS-CYBMUJFWSA-N 390.463 3.580 0 40 GHAB C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12Cc1c(O)cc3c(c1O2)C(=N)NC3 252516345 SDIGNZADDDFEPI-TWDUYNABSA-N 384.520 3.728 0 40 GHAB biogenic,in-vitro CCn1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)cn1 257304213 SKNPZOZEAXHVGO-HDJSIYSDSA-N 385.493 3.718 0 40 GHAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 260854603 ZWHIAPNKINWUDN-MJGOQNOKSA-N 382.570 3.872 0 40 GHAB O=C(c1cscc1C(F)(F)F)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 622782924 XKRLIUKTEYDQFM-LBPRGKRZSA-N 395.468 3.729 0 40 GHAB CSc1cccc(NC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)c1 90610161 QIPWYVZWDKOSTE-UHFFFAOYSA-N 398.463 3.795 0 40 GHAB CC[C@@H](C)CCC(=O)N1CCCCC[C@@H](Nc2cc(-n3ccnc3)ncn2)C1 1615611235 YIYWAFGWWPPMMF-QZTJIDSGSA-N 384.528 3.672 0 40 GHAB CO[C@@H]1C[C@H](NC(=O)N2CC[C@]3(c4ccccc4)[C@@H](C2)C3(F)F)C12CCC2 1616044089 OMSRADOFUHZGIW-YZLZLFLDSA-N 376.447 3.562 0 40 GHAB Cc1ccc2occ(CC(=O)Nc3ccc(NC(=O)CCN(C)C)cc3)c2c1 624746616 MNTGAMNMEDPYDW-UHFFFAOYSA-N 379.460 3.813 0 40 GHAB C[C@H](C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccccc1 1128079010 CEWKLUTVIQRRTO-XJKSGUPXSA-N 376.378 3.731 0 40 GHAB Cc1cc(N2C(=O)N[C@@](C)(CCF)C2=O)nn1-c1ccc(Cl)cc1Cl 656572794 ARXIVUSNMCBXER-INIZCTEOSA-N 385.226 3.662 0 40 GHAB O=C(Nc1nc2c(s1)CN(C(=O)CSC1CCCC1)CC2)c1ccoc1 96024328 TXCIWRSPSUMFDO-UHFFFAOYSA-N 391.518 3.549 0 40 GHAB COCc1ccccc1-c1cnc2n1CCN(C(=O)c1cccc(F)c1C)CC2 585111218 JQYSCLJGLFBGFX-UHFFFAOYSA-N 393.462 3.843 0 40 GHAB COc1cc2c(cc1OC)CN(/C([O])=C(/NCc1ccncc1)C(C)(C)C)CC2 1560403720 GFQIQWAYGUSEQS-UHFFFAOYSA-N 396.511 3.892 0 40 GHAB Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 5352645 LILZOCSGPSLAMV-NSHDSACASA-N 391.859 3.883 0 40 GHAB Cc1c(C(=O)NC2(c3cccc(F)c3)CCCC2)sc2ncn(C)c(=O)c12 12197788 BQIIRKQFCZOJHY-UHFFFAOYSA-N 385.464 3.642 0 40 GHAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(Cn3cccn3)cc2)n1 12201181 GBPRZLADLYDQQI-MRXNPFEDSA-N 387.443 3.781 0 40 GHAB O=C(Cc1c(Cl)cccc1Cl)N1CCC(c2n[nH]c3nccnc23)CC1 12228419 PCESOTQSNXPCLB-UHFFFAOYSA-N 390.274 3.608 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(OC)cc3)C2)cc1 12471842 ROUIWCAJETXSCW-OAHLLOKOSA-N 383.448 3.586 0 40 GHAB Cc1noc(C)c1C(=O)N1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1 19580166 VRHDFWNSJCOEIL-UHFFFAOYSA-N 383.492 3.569 0 40 GHAB CNc1ncccc1CN1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 19703763 WNRAHFANEZEJQO-HXUWFJFHSA-N 395.482 3.944 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccnn2C2CCCC2)cc1OC 19714117 KTOBIEWVWWDOOK-SFHVURJKSA-N 398.507 3.791 0 40 GHAB COc1cccc(-c2nc3c(s2)CN(C(=O)CC2(O)CCCCC2)CC3)c1 19719912 QLVWXKOADOLKQP-UHFFFAOYSA-N 386.517 3.789 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930553 QCBDUBRHKVVXBO-UHFFFAOYSA-N 392.908 3.660 0 40 GHAB Cc1nc(C)n(CCC(=O)N2CCCCCCCc3ccccc3OCC2)n1 643584867 WABCZRYKLQXBFW-UHFFFAOYSA-N 384.524 3.699 0 40 GHAB Cc1ccc(C(=O)N2CC[C@@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)cn1 19214794 YCUQSJOYDDVSMJ-XNRPHZJLSA-N 393.413 3.524 0 40 GHAB COc1ccccc1C(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 19586668 BYMSSAAUSBTOLW-UHFFFAOYSA-N 380.488 3.631 0 40 GHAB O=C(C1CCN(c2cnc3cc(Cl)ccc3n2)CC1)N1CCC(F)(F)CC1 1889138783 VXJPSYDBNBQDKL-UHFFFAOYSA-N 394.853 3.757 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NC12CC3CC(CC(C3)C1)C2 13938745 QKSKFBXTIVYIOD-UHFFFAOYSA-N 385.533 3.736 0 40 GHAB O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)s1 7306004 KQSKSBNDXMFTEK-UHFFFAOYSA-N 376.341 3.758 0 40 GHAB Cc1nn(CCNC(=O)c2ccc3nsnc3c2)c(C)c1-c1ccccc1 238840304 HRYIAJNFWJUTGZ-UHFFFAOYSA-N 377.473 3.602 0 40 GHAB Cc1noc([C@H]2CN(C(=O)c3cccc(-n4cccn4)c3)C[C@@H]2c2ccccc2)n1 240067981 SGGYPAFZCJISJE-RTWAWAEBSA-N 399.454 3.587 0 40 GHAB Cc1ccc(C)c(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](C)C(=O)N23)c1 7616066 JQMHHAHISLEOCH-CQSZACIVSA-N 392.484 3.654 0 40 GHAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1 9616460 VYLRDUMUALHYMV-UHFFFAOYSA-N 398.509 3.689 0 40 GHAB Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 15276440 YOGQEDNAPLBIMD-GJZGRUSLSA-N 392.377 3.869 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCOc1ccc2c(c1)OCO2 22480483 JHGZIVHQRMMSMU-LLVKDONJSA-N 398.242 3.685 0 40 GHAB O=S(=O)(Cc1ccccc1Cl)NCC1(c2cccs2)CCOCC1 23238629 AKPSEMAQTUOXFJ-UHFFFAOYSA-N 385.938 3.569 0 40 GHAB CCn1c(SCCCOc2ccc(C=O)cc2OC)nnc1C(C)(C)C 8731786 LKHJIJCPAWGAKM-UHFFFAOYSA-N 377.510 3.978 0 40 GHAB O=C1CCc2cc(C(=O)NCc3cccnc3Oc3cccc(F)c3)ccc2N1 40094303 VPVZZOPTTJAIHW-UHFFFAOYSA-N 391.402 3.828 0 40 GHAB O=C1N=C(O)[C@@H]2[C@H]1[C@@H]1c3ccccc3C=CN1[C@@H]2C(=O)c1ccc(Cl)cc1 20130455 MFTCLTLWWTWMKF-MHORFTMASA-N 378.815 3.662 0 40 GHAB Cc1cccc(C(=O)NCCOc2ccccc2F)c1NC(=O)c1ccco1 31389597 OIANXWWFEZTAHK-UHFFFAOYSA-N 382.391 3.788 0 40 GHAB Cc1ccc(SC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 20385196 VOQPFLFELRFGPJ-IBGZPJMESA-N 376.953 3.924 0 40 GHAB COc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3nc(CCCO)nc3N2)cc1 100806483 XBMRTBXTCKZQHA-IBGZPJMESA-N 396.878 3.921 0 40 GHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2)C12CCCC2 32074936 CLPHLYOUDIQPDK-HXUWFJFHSA-N 378.472 3.824 0 40 GHAB Cc1ccc(S(=O)(=O)c2ccc(CSc3nnc(N)s3)cc2)cc1 32322511 FVTDUUGQFWMZJQ-UHFFFAOYSA-N 377.516 3.554 0 40 GHAB CC[C@H](C)NC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c(O)n1 32778454 CRTDASHQZLHLFF-LURJTMIESA-N 393.321 3.619 0 40 GHAB NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c1 103061666 JXCHULNQESXDBC-UHFFFAOYSA-N 388.395 3.532 0 40 GHAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 22806990 NHCKYHZSKSMVJF-HNNXBMFYSA-N 396.516 3.612 0 40 GHAB COc1ccc2ccc(OCC(=O)Nc3ccc(N4CCOCC4)cc3)cc2c1 22914320 YZGYOYOMMZTFAC-UHFFFAOYSA-N 392.455 3.703 0 40 GHAB Cn1/c(=N\C(=O)c2ccccc2I)sc2ccccc21 104992660 JJNUQWPPKKDTNQ-BMRADRMJSA-N 394.237 3.586 0 40 GHAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1 676549 BGLLRUHKPFYRCK-UHFFFAOYSA-N 380.473 3.724 0 40 GHAB CCc1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 791108 GEWSAIYFUXJAOF-ZDUSSCGKSA-N 381.501 3.784 0 40 GHAB COc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 882832 GFOPOJWERQVUHI-UHFFFAOYSA-N 391.456 3.555 0 40 GHAB Cc1cc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)Cl)n3n2)no1 974385 OISIWFNUOGXFHJ-UHFFFAOYSA-N 393.737 3.826 0 40 GHAB CCCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)c3cccnc3C2=O)cc1 1090471 JUPPJFGIKHYHEB-UHFFFAOYSA-N 399.450 3.935 0 40 GHAB COc1cccc(NC(=O)c2sc(NC(=O)COc3ccccc3)nc2C)c1 1379034 UQGLWWLNUZENLB-UHFFFAOYSA-N 397.456 3.730 0 40 GHAB COc1ccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2N)cc1 2265819 SELZSIGYPXOXIH-UHFFFAOYSA-N 380.395 3.979 0 40 GHAB CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12 2497235 JWGQLXDBBDHHAN-UHFFFAOYSA-N 377.393 3.858 0 40 GHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)Cc1cccc(C(F)(F)F)c1 3241934 QQKNWFHTIXQWMQ-ZDUSSCGKSA-N 377.362 3.769 0 40 GHAB O=C1OCC[C@H]1Sc1nnc(-c2ccccc2F)n1CCc1ccccc1 3365121 ARFVKICFQMLPBM-QGZVFWFLSA-N 383.448 3.735 0 40 GHAB CSc1ncccc1C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl 3450985 LPHRJMYGXPRLLA-UHFFFAOYSA-N 386.260 3.609 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1 3480590 UWSNGOBIAJWCED-UHFFFAOYSA-N 394.496 3.832 0 40 GHAB COc1ccc(NC(=O)COc2ccc(F)cc2Br)cc1OC 3510495 TYWUAQGGRHQIMD-UHFFFAOYSA-N 384.201 3.623 0 40 GHAB O=c1cc(CSc2nc3ccccc3[nH]2)nc2ccc(Br)cn12 3619895 DCTUXCIVJWOJJM-UHFFFAOYSA-N 387.262 3.626 0 40 GHAB Cc1ccc2cc(CCNC(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1 4032835 UTMHMVZCGLSUNI-UHFFFAOYSA-N 385.261 3.572 0 40 GHAB COC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 4107376 XRWZIHDXDNPLQW-UHFFFAOYSA-N 377.400 3.654 0 40 GHAB C[C@@H]1CN(c2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 4354713 VJGBHENYXOXKNI-GHMZBOCLSA-N 378.263 3.736 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1 4410390 FTZCRFSVPYTWDD-QWRGUYRKSA-N 396.563 3.734 0 40 GHAB O=C(CSc1nnc(-c2cccs2)n1-n1cccc1)Nc1ccccc1F 4586032 XRRVJWCPLKBXHI-UHFFFAOYSA-N 399.476 3.989 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1CC(C)C 4779342 VSLDSNWTNJYEHY-GFCCVEGCSA-N 381.929 3.713 0 40 GHAB CCc1ccc(N2C(=O)C[C@@H](c3cccc(OC)c3OC)C3=C2COC3=O)cc1 4944651 PHTBHBFLYCFDJG-KRWDZBQOSA-N 393.439 3.598 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 4999467 RKSUAXOBUVKQTI-AWEZNQCLSA-N 393.468 3.759 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2F)N1C[C@@H]1CCCO1 5156145 OPWPUVLFHJGEBY-DJJJIMSYSA-N 397.377 3.795 0 40 GHAB C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccc2c(c1)OCCO2 5175078 KYMPGBABHFOWAR-CQSZACIVSA-N 395.484 3.978 0 40 GHAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccccc2)c2ccccc12 5242622 INOKMZJBQGYACT-UHFFFAOYSA-N 380.473 3.623 0 40 GHAB CCOc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c(OCC)c1 5464847 SZGGGYVUXYFZGA-QUCCMNQESA-N 380.444 3.654 0 40 GHAB COc1cccc([C@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1 6087874 PHPVOWQAFORRPA-SFHVURJKSA-N 379.243 3.969 0 40 GHAB COC(=O)c1ccc(CSc2nc(N)c3c4c(sc3n2)CCCC4)o1 6108807 CCAYOIYZTOLTRS-UHFFFAOYSA-N 375.475 3.824 0 40 GHAB CCc1nnc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)s1 6451360 BZDDBPJOMUMPNF-UHFFFAOYSA-N 398.513 3.806 0 40 GHAB CCCN1C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC1=S 6656902 DYEUPFFLQMUKGH-YRNVUSSQSA-N 387.280 3.969 0 40 GHAB Cc1cccc(-c2nnc3sc(NC(=O)[C@@H](C)Oc4ccccc4)nn23)c1 6818253 LOUULVQQUXZGRI-CYBMUJFWSA-N 379.445 3.567 0 40 GHAB COc1ccc(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1OC 6931891 KBCAYARFSWKXHK-UHFFFAOYSA-N 388.895 3.557 0 40 GHAB CCN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1Cl 7218981 AWWQABGZCIFWCE-AWEZNQCLSA-N 380.897 3.686 0 40 GHAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1Cl 7667029 HNSIYPFQPLVDBH-LBPRGKRZSA-N 378.881 3.611 0 40 GHAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCCCC3)cc2)CC1=O 7950099 ORMCFRQGPGXMDB-QGZVFWFLSA-N 393.487 3.677 0 40 GHAB CCOc1ccc(CCNC(=O)c2cc(=O)c3ccccc3o2)cc1OCC 7986412 UVHKDLVQSDMTAK-UHFFFAOYSA-N 381.428 3.563 0 40 GHAB COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)Nn2c(C)ccc2C)c1 8475645 CQDASHGEJWQHEO-UHFFFAOYSA-N 393.443 3.758 0 40 GHAB CC(C)[C@@H](C)N(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1 8851700 FFOSFGGTIKWUDH-OAHLLOKOSA-N 389.446 3.889 0 40 GHAB CCCCNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 9250359 CHZPBCOWFQJFCN-UHFFFAOYSA-N 386.517 3.902 0 40 GHAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCC1)NCc1ccc(F)cc1 11386581 IWDFGIXROUJLMP-UHFFFAOYSA-N 375.827 3.760 0 40 GHAB Cc1cc(-c2snnc2C2CCN(C(=O)Cc3ccccc3F)CC2)on1 12224069 RVZGSCCJFKRUAJ-UHFFFAOYSA-N 386.452 3.589 0 40 GHAB COc1ccc(NC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 12471676 HUJKFWCBJGWVNQ-UHFFFAOYSA-N 396.443 3.593 0 40 GHAB COc1ccccc1-c1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)on1 12562389 WVYVQFNFHBYKNH-UHFFFAOYSA-N 391.471 3.875 0 40 GHAB Cc1cc(C)c(OCC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C)c1 12765818 CYTAJYLLSMBETE-IBGZPJMESA-N 380.488 3.868 0 40 GHAB COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC[C@H]2CCCO2)c1 12846652 PRBWOVVYFHCVHG-HXUWFJFHSA-N 391.471 3.765 0 40 GHAB COC(=O)c1ccc(CNC(=O)c2cc3c(C)nn(CC(C)C)c3s2)cc1 12927779 WRECGXBVXJKYMN-UHFFFAOYSA-N 385.489 3.779 0 40 GHAB C[C@H](NC(=O)Cc1nnc(S)n1Cc1ccccc1)c1cccc(Cl)c1 12944263 KOZPWBDYQOUDFC-ZDUSSCGKSA-N 386.908 3.688 0 40 GHAB CCc1cccc(N2C[C@@H](C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2=O)c1 13022925 KNUZCYWCCNSREE-KRWDZBQOSA-N 391.471 3.589 0 40 GHAB CCCCOc1ccccc1/C=c1\sc2nc(-c3ccccc3C)nn2c1=O 13748561 RFBVLFCDVJXOBO-RGEXLXHISA-N 391.496 3.853 0 40 GHAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1cccc(I)c1 13926128 KPOGRLCGRJOIOJ-ZSOIEALJSA-N 393.155 3.775 0 40 GHAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1ccc2c(c1)OCO2 14169564 WVFYLAKOYXRPDU-FQEVSTJZSA-N 384.432 3.934 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@@H]1c1nnc2ccccn12 14242180 RPVDVGZLRMAFNX-CQSZACIVSA-N 391.258 3.779 0 40 GHAB O=C(NCc1nnc2n1CCCCC2)c1cc2c(s1)-c1ccccc1CC2 14245202 YMSWTLPEDKBUOO-UHFFFAOYSA-N 378.501 3.762 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)N[C@@H](C)c3ccc(C)c(C)c3)C(=O)[C@H]2C)cc1 14264139 ZLEBBHOMWJFLSX-ZWKOTPCHSA-N 393.487 3.646 0 40 GHAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)cc1 16610359 GLGGAZRNBVMWGA-CYBMUJFWSA-N 386.473 3.997 0 40 GHAB C[C@H]1C[C@@H](C)CN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)C1 16956108 PFRRGZAHSQZXRC-OKILXGFUSA-N 378.542 3.809 0 40 GHAB O=S(=O)(NCC1(c2ccccc2)CCOCC1)c1ccc2c(c1)CCCC2 16971937 WMIHTWYQUVNXDU-UHFFFAOYSA-N 385.529 3.592 0 40 GHAB CCCC12CN3CC(CCC)(CN(C1)C3c1c[nH]c3ccc(OC)cc13)C2=O 19323642 JGYJXIVLUROVTG-UHFFFAOYSA-N 381.520 3.962 0 40 GHAB biogenic C[C@@H](CCN1CCCCCC1)NC(=O)C1(c2ccccc2F)CCOCC1 19713960 HNXABUFBEUPGEI-SFHVURJKSA-N 376.516 3.645 0 40 GHAB Cc1cc2nc(CCNC(=O)c3cccc(Nc4ncccn4)c3)[nH]c2cc1C 19716374 WDATWKDTGLCNCK-UHFFFAOYSA-N 386.459 3.686 0 40 GHAB CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(Cc2ccnc3ccccc23)C1 19739193 MHCMIALISSRTFU-HSZRJFAPSA-N 392.503 3.527 0 40 GHAB Cc1cc(SCC(=O)N(c2ccccc2)c2ccccc2)n2ncnc2n1 19853896 XUQWQQSHDBRZJD-UHFFFAOYSA-N 375.457 3.890 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 19943044 QVMUOORWMBRODM-VXGBXAGGSA-N 376.316 3.514 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCOCC1)C(c1ccccc1)c1ccccc1 20649966 YHRBNCKYWUANLQ-OAQYLSRUSA-N 390.483 3.601 0 40 GHAB O=C(CCC1CCCCC1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 22956762 GSRKGTLVAOUQAI-SFHVURJKSA-N 397.519 3.791 0 40 GHAB O=C(COc1ccc(Br)cc1F)NCc1ccc(Cl)s1 23134526 MBLDCUMWFUQLAW-UHFFFAOYSA-N 378.650 3.998 0 40 GHAB COc1ccc(-n2ccnc2SCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 23138922 SQLNSAHFKZJSLG-UHFFFAOYSA-N 393.468 3.741 0 40 GHAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1cccc(Cl)c1 24865663 OYIDETMMTDEYSE-NRFANRHFSA-N 397.862 3.666 0 40 GHAB CCOc1cc2c(cc1NC(=O)c1nc(SC)ncc1Cl)O[C@H](C)C2 25609504 NGTNAFGSSRCIOA-SECBINFHSA-N 379.869 3.826 0 40 GHAB Cc1cc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccc3c(c2)OCO3)no1 27364676 VASWGRHXNQRJCC-FQEVSTJZSA-N 379.416 3.524 0 40 GHAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccc2c(c1)OCO2 27543336 YDTNXMNRMXSUKP-GFCCVEGCSA-N 380.366 3.893 0 40 GHAB COc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 27994841 BVFLLOQGYUWSPT-LJQANCHMSA-N 388.533 3.869 0 40 GHAB CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(OC)cc1OC)c1ccsc1 29415510 TUIZVBDPVKTQCD-LHUXKHBRSA-N 388.533 3.978 0 40 GHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(OC(F)(F)F)c1 31030923 WKWHOKYSUIIZEQ-UHFFFAOYSA-N 391.349 3.783 0 40 GHAB Cc1ccc(N2C(SCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1C 32640569 AADSQZCFZRSCGT-RBUKOAKNSA-N 386.542 3.578 0 40 GHAB CCC[C@](C)(NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OC 32809102 TUJVOSNLRHPLSJ-IBGZPJMESA-N 378.856 3.776 0 40 GHAB COc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 32810718 AJLLJRIAFCQIEJ-RTWAWAEBSA-N 379.456 3.921 0 40 GHAB Cc1ccc(CCC2CCN(C(=O)c3cnc4sccn4c3=O)CC2)cc1 32857592 KMDVSHSWEZRKFK-UHFFFAOYSA-N 381.501 3.549 0 40 GHAB COc1ccc(/C=C2/SC(=O)N(CNc3cccc(F)c3)C2=O)cc1OC 34851882 LRTXNVGJSNKLAM-RQZCQDPDSA-N 388.420 3.949 0 40 GHAB CCN1CC[C@H](CCc2ccc(NC(=O)CCn3nc(C)nc3C)cc2)[C@H](C)C1 36734980 SIBGQKKQPXOVLV-UTKZUKDTSA-N 397.567 3.834 0 40 GHAB CC1(C)NC(=O)N(CCCSc2ncc(-c3ccccc3)n2C2CC2)C1=O 40089704 BKQDUMULLNYBQZ-UHFFFAOYSA-N 384.505 3.698 0 40 GHAB CCC[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)c1ccccc1 40098459 HNHIMZLGBDNFRV-GOSISDBHSA-N 389.521 3.908 0 40 GHAB COc1cccc(CS(=O)(=O)[C@H](C)C(=O)Nc2cccc(Cl)c2C)c1 40106388 NEUWKEDXHIDWPK-CYBMUJFWSA-N 381.881 3.599 0 40 GHAB C[C@@H](C(=O)NCc1cccc(OCC(F)(F)F)c1)n1cnc2ccccc21 40111898 FJOYIKRFNPDSRU-ZDUSSCGKSA-N 377.366 3.855 0 40 GHAB CCc1ccc(-c2ccc(=O)n(CCC(=O)N[C@H](C)c3ccccc3)n2)cc1 41253995 MGNVAJXXTONDHR-QGZVFWFLSA-N 375.472 3.740 0 40 GHAB CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H](c2ccccc2)C1 45411237 REWAFMCSFCEEFV-KRWDZBQOSA-N 385.316 3.671 0 40 GHAB COc1cc(F)ccc1NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 45442315 JXDZPCVMZZXOPT-UHFFFAOYSA-N 376.391 3.880 0 40 GHAB Cc1ccc(C)c(N2N=C(C(=O)Nc3cnc(-c4ccccc4)nc3)CCC2=O)c1 46707156 NJOXYKIXVJECFB-UHFFFAOYSA-N 399.454 3.882 0 40 GHAB COC(=O)C[C@@H](NC(=O)c1csc(-c2ccccn2)n1)c1ccc(C)cc1 48362953 GGWXNRYPYFJXEK-MRXNPFEDSA-N 381.457 3.548 0 40 GHAB CC(C)(C)c1noc(CCCC(=O)NCCc2ccc(OC(F)(F)F)cc2)n1 49127059 LZRZCZNJNXSIRA-UHFFFAOYSA-N 399.413 3.947 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N[C@H](C)c2ccc(Cl)cc2)cc1 57452178 OIUGKDHCZVGRGH-CVEARBPZSA-N 387.911 3.785 0 40 GHAB COCCn1c(SCc2nc(C)c(C)o2)nc2cc(Cl)ccc2c1=O 58168565 CBFBBAPPXNTTMW-UHFFFAOYSA-N 379.869 3.593 0 40 GHAB O=S1(=O)N=C(CSc2ncc(-c3ccc(F)cc3)o2)Nc2ccccc21 58357899 GUFNQDCIFPYHSM-UHFFFAOYSA-N 389.433 3.786 0 40 GHAB CC(C)c1nccn1CC1CCN(C(=O)c2cc(-c3ccccc3)nn2C)CC1 62129984 IHORCJYJFULHLM-UHFFFAOYSA-N 391.519 3.959 0 40 GHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(-c3ccco3)[nH]c2=O)cc1OC 65732054 GAUZCGAGVWHYCO-ZDUSSCGKSA-N 382.416 3.533 0 40 GHAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 72354624 XOSKXNZIAOLHMG-SFHVURJKSA-N 380.398 3.981 0 40 GHAB COc1ccc(Oc2cncc([C@@H]3CCCN3C(=O)c3cscn3)n2)cc1 72384084 VUBIKCNCYAGBOV-KRWDZBQOSA-N 382.445 3.711 0 40 GHAB Cc1cccc(-c2nc(CC(=O)N3CC[C@H](Oc4cccnc4)C3)cs2)c1 79110858 YAMIEDGYYHSEHI-IBGZPJMESA-N 379.485 3.736 0 40 GHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1c(F)cccc1Cl 79482386 POHPLPIYYWWQRF-MRXNPFEDSA-N 397.859 3.971 0 40 GHAB COc1ccccc1CNC(=O)c1ccc(CSc2nc(C)cc(C)n2)o1 79489944 SUDPTTLOYAVYJM-UHFFFAOYSA-N 383.473 3.917 0 40 GHAB CN1C[C@H](C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)CC1=O 83877378 PKHVUNXIGWXACZ-GFCCVEGCSA-N 378.350 3.915 0 40 GHAB Cc1cccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Br)c1 85342788 ONEURXGQNGJZQZ-UHFFFAOYSA-N 393.262 3.583 0 40 GHAB Cc1cc(Br)ccc1N(C)S(=O)(=O)c1cccc(C(=O)O)c1C 89588983 IKQCMUBULJKKSF-UHFFFAOYSA-N 398.278 3.589 0 40 GHAB CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)C1CCN(c2nc(C)cs2)CC1 92558171 LSIWAIMDLIVHNO-OIISXLGYSA-N 379.570 3.624 0 40 GHAB Cn1cc(-c2csc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)n2)cn1 95961217 MPUFCUKQLSFTLY-UHFFFAOYSA-N 393.428 3.641 0 40 GHAB COc1cccc(CN2CCC3(CC2)CCN(C(=O)c2cncc(C)c2)C3)c1 96046642 FVEPJRIHPFVUEC-UHFFFAOYSA-N 379.504 3.527 0 40 GHAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@]2(C[C@H](CN3CCCC3)CO2)C1 96228365 GFIPCKSLOXAKQB-HYBUGGRVSA-N 393.531 3.584 0 40 GHAB O=C(NCc1cccnc1)c1c2c(-c3ccccc3)ncnc2n2ccccc12 96264347 UQHCPVWFYASCFU-UHFFFAOYSA-N 379.423 3.875 0 40 GHAB O=C(NCCN1CCN(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F 96514174 ZVJSBTNHXRCDAI-UHFFFAOYSA-N 392.425 3.649 0 40 GHAB Cc1cccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)c1 98212669 MGRKGCHSCBROEB-UHFFFAOYSA-N 378.451 3.923 0 40 GHAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccccc3Oc3cccnc3)C2)n1 106176900 JBLAFJCKXXWNSZ-LJQANCHMSA-N 377.492 3.994 0 40 GHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)cc1 210816073 APCUOMCTCMMRJR-XNTDXEJSSA-N 388.470 3.822 0 40 GHAB O=C(NCc1ccc2c(c1)OCO2)N1CCS[C@H](c2cccs2)CC1 219537553 CTUAWDRQZBHFCX-KRWDZBQOSA-N 376.503 3.867 0 40 GHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 222905930 UXSCGNDDBQDPQG-WOJBJXKFSA-N 377.517 3.896 0 40 GHAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 222915488 AWOAFMJTEKXPAL-LJQANCHMSA-N 388.511 3.978 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 223020518 WMSHYHNXLVTMJD-UXHICEINSA-N 396.491 3.630 0 40 GHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3c(C)cc(C)cc3C)c(Cl)cc21 223366100 DACKVNDTPJGOEZ-UHFFFAOYSA-N 394.880 3.994 0 40 GHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 224078986 RQYWMYDYFFNOPR-HXUWFJFHSA-N 396.531 3.750 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1C(C)C 225171168 RMJJJRVFNDQPNS-UHFFFAOYSA-N 399.516 3.791 0 40 GHAB O=C(Oc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccs1 247440977 XHGZYNLGRJNQFF-DPXVYKJRSA-N 391.448 3.525 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)cn1 257248441 JDSBABQIPUJFLS-MRXNPFEDSA-N 380.423 3.523 0 40 GHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 408613597 YPQXOADTWNIFBX-LJQANCHMSA-N 390.936 3.551 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1OC 408697529 KEEDPALJZJEUCC-UHFFFAOYSA-N 382.869 3.806 0 40 GHAB COc1ccc(-c2[nH]c(=Nc3ccccc3C)sc2CC(=O)O)c(OC)c1 408888176 XNJPBYAGUSILAU-UHFFFAOYSA-N 384.457 3.928 0 40 GHAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccc(C2CC2)cc1 565764900 USGVHMJCZSOKSM-CQSZACIVSA-N 384.501 3.878 0 40 GHAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575613071 OLLXXJKUMVTLRL-HXUWFJFHSA-N 391.446 3.818 0 40 GHAB O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1cccc(-c2cccc(Cl)c2)c1 585083305 PICTWFLMCHHBGN-QGZVFWFLSA-N 395.933 3.866 0 40 GHAB Cc1ccc(CNc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1 24148341 CFCKBLXMZNYSBE-UHFFFAOYSA-N 394.544 3.933 0 40 GHAB Cc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)cc1 877639 TZUIDHDQUIKJJI-UHFFFAOYSA-N 379.445 3.507 0 40 GHAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc3cccnc23)cc1 24837477 ZKTRCQZZPICNPB-UHFFFAOYSA-N 397.500 3.908 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1 24986673 KWGUXUVDGSTHGS-QHCPKHFHSA-N 387.483 3.778 0 40 GHAB O=C(CNCCc1cc2ccccc2[nH]1)Nc1c2c(nc3ccccc13)CCC2 2104216 GBRSILVIRWJIQY-UHFFFAOYSA-N 384.483 3.976 0 40 GHAB biogenic CCCCCOC(=O)O[C@@H](C)C(=O)NC[C@@H](C)OC(=O)OCCCCC 4403994 ZHNDTAJAVNKQMY-CABCVRRESA-N 375.462 3.566 0 40 GHAB CCCNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1CC 4950452 GWZZBOIJIOYUTH-UHFFFAOYSA-N 387.530 3.763 0 40 GHAB O=C(OCc1cccc(F)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 6486019 HITPMXKNZHJPPP-UHFFFAOYSA-N 397.855 3.621 0 40 GHAB O=C(O)/C(=C/c1ccc([N+](=O)[O-])o1)Sc1nnc(-c2ccc(Cl)cc2)[nH]1 7603291 ZERYJGJGPJNLKY-XFFZJAGNSA-N 392.780 3.844 0 40 GHAB CNC(=O)c1ccc(CN(C(=O)Cn2c(C)cc3ccccc32)C2CC2)cc1 26121069 GPLSJSVZWNNRBD-UHFFFAOYSA-N 375.472 3.501 0 40 GHAB CCOc1ccc(N[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 101277003 BKBTZBOLAWHPDX-INIZCTEOSA-N 389.249 3.592 0 40 GHAB CN(Cc1nc2ccccc2n1C(F)F)S(=O)(=O)c1ccc(F)c(F)c1 12553019 ADMAINDYVSNCJN-UHFFFAOYSA-N 387.358 3.530 0 40 GHAB CN(C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1)c1ccccc1 8635708 BYNPBRYTNKJWQW-ABSDTBQOSA-N 384.549 3.716 0 40 GHAB biogenic,in-vitro CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)CC1 8810887 ZECUMLXPCKSRKZ-UHFFFAOYSA-N 394.443 3.638 0 40 GHAB CC[C@H](C)N(Cc1ccccc1)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 57766337 AFLPAWMJGMGHBV-INIZCTEOSA-N 389.455 3.970 0 40 GHAB Cc1nn(C)c(C)c1CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 10228513 SRXBCVPXBBMAME-UHFFFAOYSA-N 399.498 3.749 0 40 GHAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1ccn(Cc2ccccc2F)n1 28231474 HGJGJDQITHMZGB-LBPRGKRZSA-N 395.360 3.794 0 40 GHAB Cc1ccc(-n2c(C)nnc2SCc2noc(-c3ccccc3O)n2)cc1 58200978 QXAFVGDAERDDPC-UHFFFAOYSA-N 379.445 3.932 0 40 GHAB CCn1ncc(C(=O)N(C)Cc2cccc(OC(F)F)c2)c1C(F)(F)F 58224910 RVUDGGYLJKFMQN-UHFFFAOYSA-N 377.313 3.795 0 40 GHAB COc1ccc(CCN(C)c2ncnc3c2[nH]c2cccc(OC)c23)cc1OC 2156929 KIXGLOBFZQVWOI-UHFFFAOYSA-N 392.459 3.816 0 40 GHAB biogenic C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccn1 10557659 AFMOGTYUUSAOIQ-CQSZACIVSA-N 399.447 3.513 0 40 GHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 20041109 NIMUEZKTYLTSKS-LJQANCHMSA-N 376.859 3.985 0 40 GHAB Cc1cccc(N(CCCC(=O)Nc2ccccc2F)S(C)(=O)=O)c1C 113961905 MKQUVUAKBRADKL-UHFFFAOYSA-N 378.469 3.627 0 40 GHAB O=C(Nc1cccc(Cn2ccnc2)c1)c1nn(-c2ccccc2)c2c1CCC2 25176521 KIHHVILOHAILNH-UHFFFAOYSA-N 383.455 3.858 0 40 GHAB CC(C)c1c(C(=O)NC[C@H]2COc3ccccc3O2)cnn1-c1ccc(F)cc1 58018127 NBBWDMLMRNEJGW-KRWDZBQOSA-N 395.434 3.705 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C 22329729 PKYCDVHESJSKHB-SFHVURJKSA-N 388.533 3.564 0 40 GHAB O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 72303644 JNRYFGXKMUJINU-URVUXULASA-N 395.499 3.973 0 40 GHAB CC(=O)N1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)c2ccccc21 72308678 BBVBEOXMGALSHV-UHFFFAOYSA-N 377.488 3.686 0 40 GHAB COC(=O)Nc1cccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c1 72313588 AYRJCXLMOMJKGR-MRXNPFEDSA-N 382.464 3.603 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2nccc(-c3ccco3)n2)cc1C(F)(F)F 97379297 PJTSRKYNHFOFIM-UHFFFAOYSA-N 383.351 3.865 0 40 GHAB COc1ccc(-n2cnnc2SCC(=O)N[C@H]2CCCc3ccccc32)cc1 3398461 FWNZPHIROWUATF-IBGZPJMESA-N 394.500 3.562 0 40 GHAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCCCC1 10041641 WKVIGJZENLJRLF-YLJYHZDGSA-N 394.581 3.917 0 40 GHAB Cc1cc(C)c(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 22380201 JGEPQFSNGSHMPY-UHFFFAOYSA-N 380.897 3.670 0 40 GHAB CC(=O)c1c(C)nc(-c2ccccc2)nc1SCC(=O)Nc1nccs1 27789742 XKEZGRZIEKFGHO-UHFFFAOYSA-N 384.486 3.842 0 40 GHAB COc1ccc(C(=O)[C@@H](Cc2cc(C(C)=O)ccc2OC)N2CCCC2)cc1 3438204 VDXOMZUQLPEOHI-OAQYLSRUSA-N 381.472 3.796 0 40 GHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1COc2ccccc2O1 38141167 XQZXIXWNLSMLER-GOSISDBHSA-N 377.425 3.841 0 40 GHAB C[C@@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 12910352 TYGLXAYSVSZKQK-LLVKDONJSA-N 384.785 3.966 0 40 GHAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(Br)cc2)C1=O 12998891 HZHIFSOVHGGOES-LBPRGKRZSA-N 389.249 3.592 0 40 GHAB O=S(=O)(c1cccc(Br)c1)N(Cc1ccc(F)cc1)C1CC1 12994174 FFDGYIKQZYZGMO-UHFFFAOYSA-N 384.270 3.942 0 40 GHAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl 3620235 WKEKPTTVIORTTN-UHFFFAOYSA-N 382.199 3.576 0 40 GHAB CC[C@H](C)c1ccccc1OCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 14085048 BZBFLZSUCQKPIK-JKSUJKDBSA-N 389.517 3.860 0 40 GHAB c1cn2c(NC3CCCCC3)c(-c3ccc(N4CCOCC4)cc3)nc2cn1 4597397 FXJIJYLUBIEQSB-UHFFFAOYSA-N 377.492 3.978 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cccn1C)c1ccccc1 4564203 WAWADQLKVVXTHN-FQEVSTJZSA-N 378.428 3.879 0 40 GHAB NC(=O)[C@H](OC(=O)c1ccc(SCc2cscn2)cc1)c1ccccc1 14246958 FRPLPSQLBZYBHV-QGZVFWFLSA-N 384.482 3.819 0 40 GHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)c2ccc(C)c(C)c2)cc1 6586016 RLLSAEJOTKKXPV-QUCCMNQESA-N 394.500 3.854 0 40 GHAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 5500924 AWBVFLCBGJQJMN-STQMWFEESA-N 391.899 3.914 0 40 GHAB O[C@H](CN1CCOCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 19855041 MQIMMVBJAICTOC-OAHLLOKOSA-N 379.287 3.794 0 40 GHAB CCN(CC)C(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc12 4734669 CUQRBLHXALRJCF-QHCPKHFHSA-N 389.499 3.900 0 40 GHAB COc1cc(OC)c(C(=O)NCCc2ccc(Cl)cc2Cl)cc1OC 6847700 GCEIMTICLJBIJF-UHFFFAOYSA-N 384.259 3.992 0 40 GHAB CCn1c2ccccc2c2nnc(SCC(=O)N(C)Cc3ccc(C)o3)nc21 7096704 KYPYIQHXCPCCAS-UHFFFAOYSA-N 395.488 3.652 0 40 GHAB Cc1nc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cs1 7088295 SLGISAZCXUWZHU-IBGZPJMESA-N 379.441 3.947 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1 7104836 VCOKTXFFXLBZKR-INIZCTEOSA-N 381.451 3.808 0 40 GHAB COc1ccc(CNC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1OC 7136833 MNCVAJZDENWRAZ-UHFFFAOYSA-N 396.468 3.948 0 40 GHAB Cc1cccc(-n2ccnc2S[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c1C 7319774 XCWWAXWMWVYBHN-MRXNPFEDSA-N 383.521 3.959 0 40 GHAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2nnc(-c3ccccc3)o2)CC1 7777659 FYSMHNYGENEHPI-UHFFFAOYSA-N 390.443 3.536 0 40 GHAB C[C@@H](Sc1nnc([C@@H](C)Oc2ccccc2)n1C)C(=O)Nc1nccs1 7871129 IZUJCSJLVHXPEG-VXGBXAGGSA-N 389.506 3.531 0 40 GHAB C[C@@H]1C(c2ccccc2)=NO[C@@](C)(C(=O)c2ccc(Br)cc2)N1O 7974793 XYYVAPJVQWLUIM-XIKOKIGWSA-N 389.249 3.862 0 40 GHAB CCCCc1oc2ccccc2c1/C=C/C(=O)N1CCN(c2ncccn2)CC1 7987525 FHUKJTNLMGVKDD-ZHACJKMWSA-N 390.487 3.927 0 40 GHAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)[C@H]1CC(=O)N(C2CCCC2)C1 8131704 ARYLRWRZPOTTKS-YWZLYKJASA-N 386.492 3.884 0 40 GHAB CCCOc1nc2ccccc2cc1/C=C/C(=O)NCCCCn1ccnc1 69155857 GHOKINSIPZFYAW-MDZDMXLPSA-N 378.476 3.830 0 40 GHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCOCC2)cc1 18086189 QLSSGOHUCBLLFN-UHFFFAOYSA-N 392.421 3.510 0 40 GHAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCOC)C12CCCCC2 70666184 DJAWSRMSEQXZSH-HXUWFJFHSA-N 386.536 3.882 0 40 GHAB biogenic Cc1cccnc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 8728796 WHOOBVGKZLQZGD-UHFFFAOYSA-N 391.393 3.900 0 40 GHAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(Br)o1 8722821 BWZBOKYUETZFNX-UHFFFAOYSA-N 389.205 3.817 0 40 GHAB O=C(NC1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CC1)c1ccccc1 24925353 NDPFCRANMLCSAW-VQHVLOKHSA-N 386.854 3.913 0 40 GHAB Cc1ccccc1[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 20462053 MWBQKGCHKJFEET-NRFANRHFSA-N 394.496 3.886 0 40 GHAB COc1ccccc1OCCn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 408575870 WYQGNKZEIYPHJW-UHFFFAOYSA-N 392.455 3.534 0 40 GHAB CCN(C(=O)CSc1n[nH]c(-c2cc(OC)cc(OC)c2)n1)c1ccccc1 408547154 SHJJZHIRHGMIKG-UHFFFAOYSA-N 398.488 3.634 0 40 GHAB CC(C)COCc1nn(CCC(F)(F)F)cc1I 408716631 OZTGNQKGGMKSKW-UHFFFAOYSA-N 376.160 3.613 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)CN1CC=C(c2c[nH]c3ncccc23)CC1 533343880 YJDSJTWYUITNFY-UHFFFAOYSA-N 392.478 3.840 0 40 GHAB Cc1ccc([C@@H](C)N2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 36741152 SNMYPQLMRRFPMB-LJQANCHMSA-N 391.515 3.641 0 40 GHAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 219296156 RQYCLECACXBWBH-HNAYVOBHSA-N 389.517 3.687 0 40 GHAB O=C(COc1ccccc1Cl)NC(=S)NC1C2CC3CC(C2)CC1C3 32118884 XUSCRCAPBIAEAL-UHFFFAOYSA-N 378.925 3.534 0 40 GHAB CCCC(=O)N1CCN(CCC)C(=O)[C@@H]1Cc1ccccc1-c1cccnc1 72351561 IDAXGEBQMBHGRJ-NRFANRHFSA-N 379.504 3.541 0 40 GHAB Cc1cccc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224516158 UHEKAOZCYJINAJ-FQEVSTJZSA-N 380.532 3.770 0 40 GHAB COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)cn1 528912621 JZLNLPFYEPHWQX-SZNDQCEHSA-N 383.448 3.880 0 40 GHAB CN(c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1)S(C)(=O)=O 222416211 VGHHRPALRFOVTE-UHFFFAOYSA-N 394.496 3.602 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 223771887 WXQZRQRFUXLTCW-MRXNPFEDSA-N 388.508 3.780 0 40 GHAB CC(C)OCCCNC(=O)c1snnc1-c1ccc(Br)cc1 225785742 FYOOMECZDPCLGF-UHFFFAOYSA-N 384.299 3.513 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSc1ccccc1 223843813 YSRLDQPDHVENRX-MRXNPFEDSA-N 388.508 3.861 0 40 GHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Cl)ccc3C)ccc21 222551939 ZRCCUTFUHZSBLX-UHFFFAOYSA-N 378.881 3.748 0 40 GHAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 223837687 OTHAQILHAJYDIF-PMACEKPBSA-N 378.501 3.996 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1cc(=O)[nH]c2ccccc12 96222313 TVJDHCMHMCRPBK-HXUWFJFHSA-N 387.439 3.825 0 40 GHAB biogenic COc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=C(C)C[C@H]4C3=O)cc2)c1 96902038 LTTABOIVTMEXPW-VQTJNVASSA-N 390.439 3.793 0 40 GHAB CN(C)c1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1 98211297 RIUJVAVWHRKLAH-UHFFFAOYSA-N 387.443 3.910 0 40 GHAB CCOc1ncccc1C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 96103653 XPXGNDCKPSNNQY-MRXNPFEDSA-N 395.459 3.510 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)CC(C)(C)C)CC1 257295316 QXVRVGHGSANMQI-IYBDPMFKSA-N 388.556 3.955 0 40 GHAB COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccco1)N1CCSCC1 253406935 VHBIWFYFOKAYAW-OAHLLOKOSA-N 395.912 3.853 0 40 GHAB Cc1cc(N2CCOCC2)ccc1N[C@H](C)C(=O)Nc1ccc(F)c(F)c1F 27181872 QWVVXRPDOUJEPM-CYBMUJFWSA-N 393.409 3.688 0 40 GHAB COc1cc2c(cc1OC)CCN([C@@H](C(=O)O)c1cccc(Cl)c1)CC2 652402289 YDQBGERSCHNULQ-LJQANCHMSA-N 375.852 3.584 0 40 GHAB COc1ccc(-c2nc(CCNC(=O)c3ccc(Cl)c(OC)c3)co2)cc1 1142964575 CKMHMRNWEIDMGQ-UHFFFAOYSA-N 386.835 3.985 0 40 GHAB COc1cc(NC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc(Cl)c1OC 663187349 QXQKSYHUEDNMTA-UHFFFAOYSA-N 378.860 3.697 0 40 GHAB Cc1ncc(CN2CC[C@]23CCCN(C(=O)c2nccc4ccccc24)C3)s1 585101877 JYLGJTSLAMQCLS-QFIPXVFZSA-N 392.528 3.880 0 40 GHAB Cc1nc(C(C)(C)C)nc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1C 1148895464 CHNBNFPZNNANHS-UHFFFAOYSA-N 394.445 3.526 0 40 GHAB O=C(NC1CCN(C(=O)Cc2cccc3ccccc23)CC1)c1ccsc1 56465225 AIJGTFHVVKBXJF-UHFFFAOYSA-N 378.497 3.865 0 40 GHAB COC(=O)c1cc(CNC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)oc1C 56854014 HAWZALOJBGDAFX-JTQLQIEISA-N 384.354 3.954 0 40 GHAB COc1ccc(CCCC(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c(OC)c1 513802233 KBJUTKHSMHXQHM-UHFFFAOYSA-N 397.475 3.949 0 40 GHAB C[C@@H](Oc1cccc2ccccc12)C(=O)NC[C@@H](CO)Cc1ccncc1Cl 550106086 ABKJPSPLUVBSSI-CVEARBPZSA-N 398.890 3.623 0 40 GHAB O=S(=O)(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1775976207 WCJCLUSWDLBYJQ-STQMWFEESA-N 386.304 3.747 0 40 GHAB CCOc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OCC 5466654 OYELXQOPWRAXOG-YLJYHZDGSA-N 380.444 3.654 0 40 GHAB CCOc1ccc(C(=O)N2CCC[C@@H](c3ncncc3-c3ccncc3)C2)o1 12117200 GBVMDFOYUQFPDN-MRXNPFEDSA-N 378.432 3.550 0 40 GHAB COCCC(=O)NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1 12222505 PXNVOOZVJAPGFE-UHFFFAOYSA-N 388.471 3.736 0 40 GHAB Cc1nnc2sc(-c3ccc(CNC(=O)c4ccc(Cl)cc4)cc3)nn12 12345834 YJAUJIIYNNGPNH-UHFFFAOYSA-N 383.864 3.745 0 40 GHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)N[C@@H]1CCCc2ccccc21 12685810 WGLRDWAGGIBHGS-RTWAWAEBSA-N 392.499 3.789 0 40 GHAB CCCCOc1ccc(C(=O)NCC(=O)N2CC=C(c3ccccc3)CC2)cc1 12879196 SKTHJVRGSOTHTR-UHFFFAOYSA-N 392.499 3.911 0 40 GHAB CCc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 13581364 QUEPROZLXIMNFP-UHFFFAOYSA-N 390.505 3.540 0 40 GHAB COc1ccc(NC(=S)NCCc2ccc(OC)c(OC)c2)cc1Cl 13935158 XTNBMRFEIGEFLB-UHFFFAOYSA-N 380.897 3.895 0 40 GHAB COc1cccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@]23CCCCC(=O)N3)c1 19566119 CXCHYJGNEURNAJ-WMZHIEFXSA-N 396.462 3.503 0 40 GHAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN(Cc2cccc(OC(C)C)c2)C1 19450848 LEMCZMFBGVUWNP-DEOSSOPVSA-N 394.515 3.803 0 40 GHAB O=C(CSc1ccccc1F)Nc1ccccc1C(=O)NCC(F)(F)F 6652383 WDNIOOFJUYEELN-UHFFFAOYSA-N 386.370 3.849 0 40 GHAB CCc1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3)n2)cc1 23242167 UAYHWYCOFPDHRE-UHFFFAOYSA-N 379.485 3.806 0 40 GHAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccccc2-c2nnnn2C2CC2)cc1 24843474 BUCFMBZAVBFBRZ-AWEZNQCLSA-N 397.504 3.989 0 40 GHAB CC(=O)N1CCN(Cc2scnc2C)C[C@H](Cc2cccc3ncccc23)C1 2037838341 FBLYKKADIRLCSM-SFHVURJKSA-N 394.544 3.523 0 40 GHAB Cn1c(SCC(=O)OCc2ccccc2)nnc1-c1c[nH]c2ccccc12 4138482 GOEUAMJGAAZOAH-UHFFFAOYSA-N 378.457 3.799 0 40 GHAB COc1ccc(CCNc2nccn(-c3cccc(Cl)c3C)c2=O)cc1OC 10273149 INTKREOBXIBSDS-UHFFFAOYSA-N 399.878 3.866 0 40 GHAB CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccccc1F 49007768 JNTDNCXCIYPYSA-UHFFFAOYSA-N 398.463 3.869 0 40 GHAB Cc1nc(-c2cc3ccc(OCC(=O)NC4CCCC4)cc3oc2=O)cs1 20737808 WYIRFXUJZLVNPH-UHFFFAOYSA-N 384.457 3.663 0 40 GHAB CC(=O)NCc1ccc(C(=O)COc2ccc(F)cc2Br)s1 32724071 VOLDZDDQONFTTN-UHFFFAOYSA-N 386.242 3.548 0 40 GHAB CC(=O)N[C@@H](CC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccs1 32882754 QZZOCOURFDZQDJ-ZETCQYMHSA-N 378.322 3.650 0 40 GHAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC(=O)N(CC2CC2)C1 32815746 OFCVWFQTJDVURQ-SNVBAGLBSA-N 394.315 3.921 0 40 GHAB Cc1ccccc1[C@@H](C)NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1 32907931 XGQAAVCRFIHDJQ-GOSISDBHSA-N 379.504 3.984 0 40 GHAB COC(=O)c1ccoc1COC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 23503092 MMRFVWNYYNEGQG-UHFFFAOYSA-N 379.434 3.778 0 40 GHAB Cc1nc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)sc1-c1nccn1C 24927835 RDOJIJMBRNKTEH-UHFFFAOYSA-N 386.525 3.503 0 40 GHAB Cc1cccc2c(SCC(=O)N3CCOCC3)nc(-c3ccccc3)nc12 887020 RTGMVQPVBAIMGR-UHFFFAOYSA-N 379.485 3.556 0 40 GHAB COc1ccc2cc(C)c3nnc(SCC(=O)NC4CCCCC4)n3c2c1 928416 CJVOJFGQMSGJPN-UHFFFAOYSA-N 384.505 3.741 0 40 GHAB CCN(CC)C[C@H](C)NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2778845 ITJLMXSFRIROFC-QWRGUYRKSA-N 394.869 3.840 0 40 GHAB CCOc1cc(CNCc2ccc(C)cc2)ccc1OCC(=O)NC(C)(C)C 7538014 IPVGQXRZWUSKQZ-UHFFFAOYSA-N 384.520 3.977 0 40 GHAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccccc4C)c3)nn12 10010194 VGSWEZBMAHMVEF-UHFFFAOYSA-N 393.472 3.985 0 40 GHAB COc1cc(N[C@@H](C)C(=O)Nc2c(F)cccc2F)ccc1N1CCCC1=O 10185236 JNDOIUZPUMMMBK-LBPRGKRZSA-N 389.402 3.539 0 40 GHAB Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)Nc1ccccc1Cl 8413731 XAUVRGWGYRYANI-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8475868 IGXUSPLKKAEPDF-UHFFFAOYSA-N 390.505 3.505 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cncn2-c2ccc(F)cc2)c(C)c1 12559574 JSKUCLBRKJWQBU-UHFFFAOYSA-N 394.450 3.647 0 40 GHAB COCCCCN1C(=O)[C@@H](Oc2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 58202327 AQNINABNYSAJQJ-VXKWHMMOSA-N 399.487 3.770 0 40 GHAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(S(C)(=O)=O)cc1 10384765 HNVHHTOURZKJJW-OAHLLOKOSA-N 398.484 3.555 0 40 GHAB CCOC(=O)N1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 58161532 PXOXDPTXOSWJMU-UHFFFAOYSA-N 376.400 3.603 0 40 GHAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1OC1CCC1 97045893 KWYDMFRDZYZKIS-FQEVSTJZSA-N 389.455 3.762 0 40 GHAB COc1ccc(CCNC(=O)c2cc(C(C)C)nc3onc(C)c23)cc1OC 36359248 XUEUSIYCWMZAHX-UHFFFAOYSA-N 383.448 3.644 0 40 GHAB CCOc1ccc(Nc2nnc(SCc3ccc(OC)cc3)n(C)c2=O)cc1 28538976 XURDVBDNGZFVNJ-UHFFFAOYSA-N 398.488 3.619 0 40 GHAB COc1ccc(-n2c(NC[C@H](C)O)nc3sc4c(c3c2=O)CCCCC4)cc1 2326970 CWLWUNFCYKXRJH-ZDUSSCGKSA-N 399.516 3.517 0 40 GHAB COCCn1c(S[C@H](C)C(=O)N2CCc3ccccc3C2)nc2ccccc21 36795320 YLKRRIFNJYKEJH-MRXNPFEDSA-N 395.528 3.748 0 40 GHAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2ccc3c(c2)OCCO3)c(C)c1 29558969 JWFZTUYIVJWJIH-CQSZACIVSA-N 386.473 3.904 0 40 GHAB COc1ccc2nc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)[nH]c2c1 20197211 CXLHGWPTQZOZRF-UHFFFAOYSA-N 399.472 3.868 0 40 GHAB Cc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 3346626 UKKBGPOSCXKRAV-HNNXBMFYSA-N 381.457 3.699 0 40 GHAB O=C(OCc1ccccc1F)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3373123 JOLDVCRRBIKROK-UHFFFAOYSA-N 379.343 3.572 0 40 GHAB Cc1csc(=O)n1CC(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 12801065 WKXVVLRJJSGQKF-MRXNPFEDSA-N 397.525 3.709 0 40 GHAB O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1)[C@H]1CCS(=O)(=O)C1 12809640 FDOFQCASIMVILQ-AWEZNQCLSA-N 383.391 3.746 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(OCc2cscn2)cc1 12908840 GQPMBCFWIVAVCM-LJQANCHMSA-N 397.500 3.882 0 40 GHAB COC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(F)cc1F 13008267 WDBTZVJZYRYDON-UHFFFAOYSA-N 383.416 3.850 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)cc1Cl 9237950 YLOFROSLKLMRPE-IAGOWNOFSA-N 399.907 3.946 0 40 GHAB O=C1c2cccn2[C@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2N1Cc1ccccn1 306142312 WVUWSWBQLAEWLW-SFTDATJTSA-N 392.890 3.618 0 40 GHAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H]3OC(C)(C)OC[C@]32C)[C@]12CC[C@](CO)(CCO)O2 6183185 VKCTYACKTCTDRG-KPDDYGMPSA-N 396.568 3.653 0 40 GHAB biogenic O=C(/C(=C/c1ccc(Br)cc1)n1ccccc1=O)N1CCCCC1 13943393 COIIOLPKHIDAGG-VKAVYKQESA-N 387.277 3.621 0 40 GHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)c(C)c2)cc1 6315545 MKJMVUHIAICSOC-UHFFFAOYSA-N 383.267 3.517 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 20488317 FVVZGONVKVTENP-UHFFFAOYSA-N 392.499 3.665 0 40 GHAB Cc1ccc(NC(=O)COC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(F)c1 6509460 STHLXBDOTVRKAA-UHFFFAOYSA-N 381.407 3.732 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1csc2c1CC[C@H](C)C2 14595148 JOKFCXJHWWWSKT-NSHDSACASA-N 389.473 3.929 0 40 GHAB Cc1ccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1Cl 6648131 LZBZAJFJLLSNHC-UHFFFAOYSA-N 395.772 3.959 0 40 GHAB Cc1ccc(CN2C[C@@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@H]3C2)s1 306127789 GHRPBCLNQXBDAO-CTNGQTDRSA-N 396.537 3.874 0 40 GHAB NC(=O)c1ccccc1NC(=S)NC(=O)c1sc2ccccc2c1Cl 6899004 HAGGPMDNEIUZEH-UHFFFAOYSA-N 389.889 3.780 0 40 GHAB O=C(NC[C@@]1(O)CCCc2ccccc21)c1occc1COc1ccccc1 66930535 HYRHPARDYKPEOM-QHCPKHFHSA-N 377.440 3.813 0 40 GHAB Cc1ccc(NC(=O)NC(=O)CNc2ccc(Br)cc2)c(C)c1 7277263 QPOPCYUKGIRGIJ-UHFFFAOYSA-N 376.254 3.826 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc2ccccc2o1 9514417 BVYUVVUSPVZOQY-UHFFFAOYSA-N 396.424 3.757 0 40 GHAB CCOC(=O)C1CCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 7386389 BEPGEFJMLAUQHJ-SFHVURJKSA-N 394.515 3.556 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1 7406776 LSSROEMBDSOSMO-UHFFFAOYSA-N 378.900 3.786 0 40 GHAB Cc1ccc(-n2nc(C)c(NC(=O)CN3CCC[C@H]3c3cccn3C)c2C)cc1 7855252 VBMGKLKBNADVTF-NRFANRHFSA-N 391.519 3.912 0 40 GHAB COC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@@H]1c1ccc(C)cc1 7990951 DXVDUNPUYPKIQY-MRXNPFEDSA-N 399.516 3.831 0 40 GHAB COc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 16956338 NSRDIPJGHOEWPN-UHFFFAOYSA-N 388.493 3.952 0 40 GHAB Sc1nnc(COc2ccccc2)n1Cc1ccc(Br)cc1 72329968 HXSRDMYQDNJOAA-UHFFFAOYSA-N 376.279 3.957 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 8514463 BHSKXROPLQJDIC-SFHVURJKSA-N 387.501 3.991 0 40 GHAB COCCCn1c(=O)c2ccccc2n2c(S[C@H](C)c3ccccc3)nnc12 8710844 FFJULSBHZPHLKI-OAHLLOKOSA-N 394.500 3.934 0 40 GHAB CC(C)n1nc(CC(=O)Nc2cc(F)c(F)c(F)c2)c2ccccc2c1=O 72402010 VPTNOAQWFYAIEI-UHFFFAOYSA-N 375.350 3.576 0 40 GHAB CCc1nc(-c2ccc(C(=O)Nc3ccc(Cl)c(C(=O)OC)c3)cc2)n[nH]1 89279915 YEAVWJPORXYZQQ-UHFFFAOYSA-N 384.823 3.726 0 40 GHAB COc1ccc(CCCNC(=O)C2(c3ccccc3)CCOCC2)cc1OC 65091319 RUJJKSBRHHVXQN-UHFFFAOYSA-N 383.488 3.501 0 40 GHAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)c(Br)cc1OC 409071556 KCXKQYPAXLGMHI-NTUHNPAUSA-N 386.267 3.913 0 40 GHAB CC(=O)O[C@@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 5384165 KLUTZDJBVDPOFE-VQTJNVASSA-N 388.416 3.526 0 40 GHAB biogenic CC(C)COc1ccc(NC(=O)C(=O)NCc2ccc(OC(C)C)cc2)cc1 408707463 BMYXAMUMQYWVJK-UHFFFAOYSA-N 384.476 3.764 0 40 GHAB CC[C@@H](NC(=O)N1CCc2ccccc21)[C@H](c1ccc(C)cc1)n1cncn1 535218570 FUIIWTDLDUAZNJ-CTNGQTDRSA-N 375.476 3.727 0 40 GHAB O=C(c1ccccn1)N1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 72362248 JJBFZEQRJYBOKF-HNNXBMFYSA-N 378.407 3.823 0 40 GHAB COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3Cc3nccn3C)n2)cc1 72384182 HWVBKKQZZXWGJP-SFHVURJKSA-N 379.464 3.657 0 40 GHAB Cc1sc2nc([C@@H]3CCCN(C(=O)Cc4ccccc4F)C3)[nH]c(=O)c2c1C 72334897 JPAHVOKDATTWPF-OAHLLOKOSA-N 399.491 3.689 0 40 GHAB CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)c3oc(C)nc3C)n2)s1 72375377 ZQGJNQHJDCSOCG-AWEZNQCLSA-N 398.492 3.821 0 40 GHAB COC(=O)c1ccc2ccccc2c1OCC(=O)Nc1ccc(OC)cc1OC 40049832 BKOCDIMUZIUMLU-UHFFFAOYSA-N 395.411 3.661 0 40 GHAB Cc1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1C 225950615 UXOQAJXJHULSBM-KRWDZBQOSA-N 380.897 3.576 0 40 GHAB COCc1nn2c(nnc3c(=O)n(C4CCCCC4)ccc32)c1-c1ccccc1 40391171 GIPDOTNEVOZMEA-UHFFFAOYSA-N 389.459 3.758 0 40 GHAB O=C(N[C@@H](Cc1ccc[nH]1)C(=O)O)OCC1c2ccccc2-c2ccccc21 44320347 DGKRTFFSECGNCF-FQEVSTJZSA-N 376.412 3.549 0 40 GHAB CNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2s1 46058744 IZPKSHQXTPCIHL-UHFFFAOYSA-N 394.905 3.739 0 40 GHAB CC(C)c1ccc(CN2CCN([C@@H](O)CCOc3ccc(F)cc3)CC2)cc1 575442391 ILRGUDCJQWGVGF-QHCPKHFHSA-N 386.511 3.854 0 40 GHAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2F)nc(N2CCCCCC2)n1 44170168 CZRBTIBLXVWGEG-UHFFFAOYSA-N 392.862 3.975 0 40 GHAB CCN(CC(=O)N(C)c1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 225932130 LHEYGYFFURQDBV-UHFFFAOYSA-N 388.533 3.594 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCSCc2ccc(C)cc2)cc1C 225877355 BWOKHCUZRRZARU-UHFFFAOYSA-N 379.547 3.832 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 223504674 JNBRGARYAJBHQB-OAHLLOKOSA-N 390.936 3.986 0 40 GHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCCc1ccccc1 222980922 GOAVSJLHNVPIBJ-GOSISDBHSA-N 382.504 3.571 0 40 GHAB COC(=O)c1ccc(C)c(NC(=S)NCc2nc(-c3ccccc3C)no2)c1 225828760 LZTVZPRJYJCZTA-UHFFFAOYSA-N 396.472 3.627 0 40 GHAB O=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)Oc2cc(Cl)ccc21 225826912 JYGPLDBREYZXTC-UHFFFAOYSA-N 391.876 3.529 0 40 GHAB COc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)CN(C2CC2)C3)ncn1 95368303 VJXKCIGRKHKCMO-LJQANCHMSA-N 378.520 3.724 0 40 GHAB CC1(C)[C@H](O)CCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 583786456 KCGBPIMHOVIHOZ-CYBMUJFWSA-N 382.247 3.561 0 40 GHAB Cc1ccc(OCCN2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)cc1 257242219 IBOLDSUKGJQWKD-QFIPXVFZSA-N 390.487 3.981 0 40 GHAB O=C(/C=C/c1ccccc1Cl)NCc1nnc2ccc(-c3ccsc3)nn12 253472081 IXTWHTSUYSSHQL-VMPITWQZSA-N 395.875 3.836 0 40 GHAB O=C(Nc1ccccc1S(=O)(=O)C1CCCC1)c1coc(-c2cccnc2)n1 622873730 ZCZJIFJVJANDSA-UHFFFAOYSA-N 397.456 3.705 0 40 GHAB CCC1(CC)CCC(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccnn2C)CC1 664736614 MBXJQLYIBDTTSS-QFBILLFUSA-N 376.545 3.936 0 40 GHAB C[C@@H](NC(=O)N[C@]1(c2ccccc2)CC1(C)C)c1ncc(Br)cn1 664955762 NOEGXYJXNSPBET-XIKOKIGWSA-N 389.297 3.925 0 40 GHAB Cc1ccc(-c2nc(CCNC(=O)c3c(C(F)(F)F)n[nH]c3C)co2)cc1 673739480 ZZOZVZSVDCFKRL-UHFFFAOYSA-N 378.354 3.673 0 40 GHAB O=S(=O)(Nc1cc(OCc2ccccc2)ncn1)c1ccccc1Cl 90593550 JZWMNVKWYMRDGA-UHFFFAOYSA-N 375.837 3.510 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NCCn1ccc(-c2cccs2)n1 96103871 KUTYIGHHYUJHOY-UHFFFAOYSA-N 381.910 3.552 0 40 GHAB CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1Cl)C(=O)O 706484002 NXDKZWPRBMBGMI-JTQLQIEISA-N 378.650 3.623 0 40 GHAB COc1c(C)cccc1CN1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615158416 RYEQURFUKLCTJE-HSZRJFAPSA-N 398.478 3.541 0 40 GHAB CN1C[C@@H](C(=O)Nc2cccc3c2CCCC3)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595963 WDAXBPOEDUOZML-DXIQSLLYSA-N 380.463 3.955 0 40 GHAB CCOc1ccc(C(=O)Nc2nc(C)c(C(=O)OC)s2)cc1Br 5177268 CHRFEKLALXMSEV-UHFFFAOYSA-N 399.266 3.652 0 40 GHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccccc2C(C)(C)C)c1 5481602 INNALJRZWIZMBR-UHFFFAOYSA-N 399.443 3.575 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)c2c(O)n(CC)c3ccccc3c2=O)cc1 5738243 ZOPADLNFVYUWFI-UHFFFAOYSA-N 394.427 3.546 0 40 GHAB COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)C)c3nccs3)C2)cc1 12408170 DWROQQOWBDCFDS-IEBWSBKVSA-N 387.549 3.877 0 40 GHAB COc1ccc(CN(Cc2cccc(C)n2)C[C@H]2CCCO2)c(OC)c1OC 13993502 WAIRGZONDRDGAP-LJQANCHMSA-N 386.492 3.597 0 40 GHAB COCCNC(=O)CSc1ccccc1C(=O)OCc1cccc(Cl)c1 14094760 NYLZQTUBJZHOLE-UHFFFAOYSA-N 393.892 3.552 0 40 GHAB COc1ccc([C@@H]2N=C(NC(=O)c3ccccc3)Nc3nc4ccccc4n32)cc1 14165351 NKAZTWUWMVLFCJ-HXUWFJFHSA-N 397.438 3.803 0 40 GHAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 14398206 YFTJNKODVPQXOB-UHFFFAOYSA-N 395.503 3.696 0 40 GHAB CCn1c(=O)n(CC(=O)c2cc(C)n(-c3nccs3)c2C)c2ccccc21 14809875 WLXYGNSFVOJLBX-UHFFFAOYSA-N 380.473 3.570 0 40 GHAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2c[nH]c3ccccc23)c1C 15544085 JUTJIDYLZXNBLF-UHFFFAOYSA-N 399.516 3.606 0 40 GHAB Cc1csc(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)c1 19124540 RKNLVZHWSROEDV-HNNXBMFYSA-N 397.504 3.853 0 40 GHAB COc1ccc(-c2nc(NC(=O)c3ccc4oc(=O)[nH]c4c3)sc2C)cc1 19555599 WUXIEWOKRJBRIX-UHFFFAOYSA-N 381.413 3.814 0 40 GHAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 8477309 BEYXMSOHTMZVGP-XMHGGMMESA-N 390.439 3.670 0 40 GHAB Fc1ccc(-c2nn(CN3CCN(Cc4ccccc4)CC3)c(=S)o2)cc1 1889274353 GRSZDCOLCGZEPO-UHFFFAOYSA-N 384.480 3.787 0 40 GHAB COc1ccc(-c2noc(C(=O)NCc3cccc(C(F)(F)F)c3)n2)cc1 15082196 INLFFZXCDTXJIZ-UHFFFAOYSA-N 377.322 3.694 0 40 GHAB Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(OC[C@H]3CCCO3)c2)c1C 24742181 CNQQXYNMWQJGRD-HXUWFJFHSA-N 396.487 3.572 0 40 GHAB COc1ccc(NC(=O)c2ccccc2I)c(OC)c1 3093717 PWNLQQQZPJJZKB-UHFFFAOYSA-N 383.185 3.561 0 40 GHAB O=C(NCCc1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 1087791 RGRPJKXCSITBGA-AWEZNQCLSA-N 377.271 3.705 0 40 GHAB CCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccc(OC)cc1 4062274 WFPSZAUTXCHPLZ-UHFFFAOYSA-N 398.513 3.813 0 40 GHAB O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 4250502 LBUFCCYOEFHDNL-UHFFFAOYSA-N 391.452 3.642 0 40 GHAB Cc1ccc(Cl)c2sc(NC(=O)c3cccc(S(C)(=O)=O)c3)nc12 4517964 ZUSVHSJVIBGSJQ-UHFFFAOYSA-N 380.878 3.914 0 40 GHAB CC(C)C(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3F)cc21 5136586 QSVHDRNQCRYTKK-UHFFFAOYSA-N 376.453 3.562 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)ccc1F 8840865 VZVLAIZQUAIOBQ-UHFFFAOYSA-N 390.480 3.870 0 40 GHAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCN(Cc2ccccc2)CC1 22870631 NNLCUWXSTGBFRV-IRLDBZIGSA-N 382.548 3.758 0 40 GHAB O=C(c1ccccc1F)N1CCC[C@@H](c2nnc(Cc3ccc(F)cc3)o2)C1 35596876 DYTOWAQSPMBTDY-OAHLLOKOSA-N 383.398 3.958 0 40 GHAB Cc1ccccc1[C@H]1CCN(C(=O)CNC(=O)OCc2ccccc2)CCS1 219289525 CQXUTJRXIKCFRA-HXUWFJFHSA-N 398.528 3.928 0 40 GHAB O=C(NCc1nccnc1-c1ccsc1)c1cc(Br)cs1 575619534 MSOIQPVBOMENKB-UHFFFAOYSA-N 380.292 3.959 0 40 GHAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1cccc(Cl)c1 40060413 BRPJEHSYGFLJTQ-UHFFFAOYSA-N 384.785 3.904 0 40 GHAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1 40086556 CVSZLJPRZUVMLI-HNNXBMFYSA-N 378.259 3.940 0 40 GHAB Cc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)n1 40144013 XVWABPKDWLECDL-UHFFFAOYSA-N 389.381 3.788 0 40 GHAB CSc1nc(C)c(CCC(=O)NCCOc2cccc(Cl)c2)c(C)n1 40113639 IIMOVIDUDZQFAA-UHFFFAOYSA-N 379.913 3.597 0 40 GHAB C[C@@H](NC(=O)C1CCN(c2ncccn2)CC1)c1ccc(Cl)c(Cl)c1 40130317 HTIHOPUFLYAIAC-GFCCVEGCSA-N 379.291 3.877 0 40 GHAB Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)c3ccc4c(c3)NC(=O)CO4)s2)o1 31370838 FIGAPKYIQYOCIN-NSHDSACASA-N 397.456 3.842 0 40 GHAB COc1ccc(C)cc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1 40484498 OEUYGADTCUXRFK-LJQANCHMSA-N 375.432 3.523 0 40 GHAB O=C(CCc1cccc(Cl)c1Cl)Nc1ccc(N2CCOCC2)nc1 31715276 ZQQAKFPYCYSAEI-UHFFFAOYSA-N 380.275 3.796 0 40 GHAB Cc1sc2c(c1C)c1nc(-c3ccncc3)nn1c(=O)n2Cc1ccccc1 31818722 OLBSGALBOBQPFP-UHFFFAOYSA-N 387.468 3.833 0 40 GHAB CC(C)[C@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccc2c(c1)OCCO2 32712824 PKRGZMFHJVCSAP-NRFANRHFSA-N 395.434 3.910 0 40 GHAB O=S(=O)(NCC1(c2ccccc2)CCC1)c1ccccc1Br 32869602 NSYXRXMVDPRHSF-UHFFFAOYSA-N 380.307 3.849 0 40 GHAB C[C@H](NC(=O)CCn1nc(-c2cccc(Cl)c2)ccc1=O)c1ccccc1 41253653 SRHIJXURSYTLSP-HNNXBMFYSA-N 381.863 3.831 0 40 GHAB CC(C)c1cccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCCCO4)CC2=O)c1 23039821 OXVKATLWXJLERZ-KRWDZBQOSA-N 394.471 3.963 0 40 GHAB COc1ccc(-c2nnc3n2N=Cc2cc4cc(OC)ccc4nc2S3)cc1 33900721 VUPFMIONBONZSY-UHFFFAOYSA-N 389.440 3.857 0 40 GHAB COc1ccc(CNC(=O)CNC(c2ccccc2)c2ccccc2)cc1OC 54531214 ZLSHFUJOWKGJIF-UHFFFAOYSA-N 390.483 3.699 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(I)cc2)c(C)c1 682376 NSNMTSGAUQPAQT-UHFFFAOYSA-N 387.242 3.709 0 40 GHAB COc1c(C)cccc1C(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 804991 JWMHZSSRIUGSEK-UHFFFAOYSA-N 395.503 3.561 0 40 GHAB COc1ccc(-c2nnc3c4cnn(-c5ccc(Cl)cc5)c4ncn23)cc1 2417599 MYCQZPAPRBDYPH-UHFFFAOYSA-N 376.807 3.792 0 40 GHAB CCN(CC)CCCN/C=C1\C(=O)N(c2ccc(F)cc2)C(=O)c2ccccc21 2431388 CSKPVAPFDFTOBW-PGMHBOJBSA-N 395.478 3.675 0 40 GHAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(C(=O)O)cc1 2481347 FSBCYGRVLHPYAQ-UHFFFAOYSA-N 394.383 3.640 0 40 GHAB COc1ccc(NC(=O)C(=O)NN=C/C(C)=C\c2ccc(C(C)C)cc2)cc1 2755535 XYMNQEDMPASSFA-DMWRUOAHSA-N 379.460 3.963 0 40 GHAB C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc(Cl)cc1Cl 3336468 PSIDFWWPNVQTQP-LLVKDONJSA-N 376.243 3.581 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c1C 3390465 RXUNDNSCFOAYGL-UHFFFAOYSA-N 393.443 3.676 0 40 GHAB CCOc1ccc2nc(NC(=O)COc3ccc4ccc(=O)oc4c3)sc2c1 3400585 BNISDSINEXTORT-UHFFFAOYSA-N 396.424 3.819 0 40 GHAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C3(C[C@H]2C1)OCCO3 3849972 HVWSAXRIUJFDOY-RNXAVOFCSA-N 390.520 3.883 0 40 GHAB biogenic CCCCCCn1c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c(=O)[nH]c1=S 4087102 YUXYOJPATKKSCS-GOSISDBHSA-N 398.532 3.908 0 40 GHAB biogenic Cc1cc(NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)ccc1Br 4359923 SSTSTIAPXWVOGI-AWEZNQCLSA-N 388.265 3.685 0 40 GHAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3cccc(F)c3)co2)n1 4377240 SEUJSPSKTQSMLO-UHFFFAOYSA-N 386.404 3.697 0 40 GHAB COc1ccc([C@H]2N=C(Nc3ccc(C)c(C)c3)Nc3nc(C)cc(=O)n32)cc1 4737083 WILCLCDBRYPBKX-FQEVSTJZSA-N 389.459 3.618 0 40 GHAB COc1ccc(OC)c(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1 5082784 KQKNXNMVIOTOAO-UHFFFAOYSA-N 384.215 3.806 0 40 GHAB Cc1cccc(C)c1-n1nnnc1SCC(=O)N[C@@H](C)CCc1ccccc1 5168238 RZRWXWAGEGXBAM-KRWDZBQOSA-N 395.532 3.509 0 40 GHAB COc1ccc(N2C[C@@H](NC(=O)Nc3cccc4ccccc34)CC2=O)cc1 5191276 GWRIKFROVLKPJP-INIZCTEOSA-N 375.428 3.775 0 40 GHAB COc1ccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)cc1OC 5270064 QCIBYIZLDYVZHJ-UHFFFAOYSA-N 392.455 3.783 0 40 GHAB COc1ccc(-c2nc(N)nc(C)c2-c2cccc3c2OCCCO3)c(O)c1 5536330 FEIOUUJIOXSBLX-UHFFFAOYSA-N 379.416 3.577 0 40 GHAB COc1cc(C(=S)N2CCOCC2)ccc1OCc1ccccc1Cl 6181596 VUHMBLLPWFKNIZ-UHFFFAOYSA-N 377.893 3.935 0 40 GHAB Cc1ccc(C)c(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 6281693 DWRYAIOSLXAMOA-UHFFFAOYSA-N 398.462 3.982 0 40 GHAB COc1ccc(CC(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1OC 6424241 IKXBUDPXRGIFMB-UHFFFAOYSA-N 388.807 3.693 0 40 GHAB CCCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 6629003 NMGWWQVMPQBWMK-UHFFFAOYSA-N 381.505 3.646 0 40 GHAB CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3F)c2)CC1 6680680 IMUGNWHIPWUJSF-UHFFFAOYSA-N 382.482 3.560 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)N1c2ccccc2OC[C@@H]1c1ccccc1 6882010 DNTZKXWAEFNOBO-OAQYLSRUSA-N 397.434 3.563 0 40 GHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1N1CCCCC1 6954732 BZHRRWWGLHRKRC-UHFFFAOYSA-N 399.516 3.821 0 40 GHAB COc1cc(CC(=O)N[C@H](c2ccccc2)c2ccncc2)cc(OC)c1OC 6977984 ZKVCEUQSVYXFOS-JOCHJYFZSA-N 392.455 3.556 0 40 GHAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2cccnc2)cc1 7499645 YGRPGKVHHBXWRS-UHFFFAOYSA-N 385.423 3.509 0 40 GHAB O=S(=O)(c1ccc(-c2csc(-c3cccs3)n2)cc1)N1CCOCC1 7736648 BOSVZJCEVFGFBS-UHFFFAOYSA-N 392.527 3.560 0 40 GHAB O=C(CSc1nccn1-c1cccc(F)c1)NCCc1c[nH]c2ccccc12 7738226 YGMOWSBOIQVVJZ-UHFFFAOYSA-N 394.475 3.944 0 40 GHAB COc1ccc(CNC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 7919870 ODDLQKKLUFZQGH-UHFFFAOYSA-N 376.441 3.692 0 40 GHAB COc1ccc(C(=O)CCC(=O)NCCc2c[nH]c3ccccc23)cc1OC 8039341 BFRMEPGMVZRHLB-UHFFFAOYSA-N 380.444 3.507 0 40 GHAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1F)c1cccc(Cl)c1 8049279 UXVXXKFXKBUOSH-UHFFFAOYSA-N 384.860 3.664 0 40 GHAB O=C(CCc1ccccc1Cl)Nc1cc2c(cc1C(=O)O)OCCCO2 8156430 KIZQTYWHXLDCLQ-UHFFFAOYSA-N 375.808 3.771 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 8220373 KQHCFWRORUFKQS-ZDUSSCGKSA-N 392.908 3.836 0 40 GHAB CCn1nnnc1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 8339909 HKGNDGBGGSLPSY-UHFFFAOYSA-N 391.834 3.685 0 40 GHAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1nnc(-c2cccc(Cl)c2)n1 8393052 MQKHLCIYTRHZHB-HNNXBMFYSA-N 395.894 3.821 0 40 GHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1C 8414002 ISFNQYVKXZWWDR-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N(C)C)cc1 8580068 WZXJFTZNQLBLFU-UHFFFAOYSA-N 379.460 3.529 0 40 GHAB CC(=O)Nc1cccc(NC(=O)C2=NN(c3ccc(C)c(Cl)c3)C(=O)CC2)c1 8747962 OIPMUAGEVJFIRD-UHFFFAOYSA-N 398.850 3.728 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 9375979 TZGKNPWDQFVEFM-KUHUBIRLSA-N 394.500 3.867 0 40 GHAB Cc1ccc(-n2nc(C)c3c(=O)c(C(=O)N4CCc5ccccc54)c[nH]c32)cc1 10166796 MEQQXYIEJACKMK-UHFFFAOYSA-N 384.439 3.534 0 40 GHAB Cc1ccnc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 10430686 LKYCWCCLLFSBQA-UHFFFAOYSA-N 391.393 3.900 0 40 GHAB CN(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 11096005 NGURUILGZLRXHT-UHFFFAOYSA-N 385.895 3.897 0 40 GHAB O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(OC(F)(F)F)cc1 11474749 FVYMLZGRPTWHBH-UHFFFAOYSA-N 394.378 3.897 0 40 GHAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12574332 AJPVPZTYTBFIFE-AEFFLSMTSA-N 392.484 3.730 0 40 GHAB O=C(NCC1(c2ccccc2)CCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 12698509 SMQZIIWHTDXACL-UHFFFAOYSA-N 394.490 3.916 0 40 GHAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(NC(=O)C2CC2)s1 12754781 FGADJJJDGQGTQU-UHFFFAOYSA-N 383.517 3.622 0 40 GHAB O=C(NCCCN1CCCC1=O)c1ccccc1-c1ncc(-c2ccccc2)o1 12773235 HCIFOTCGZWGPAR-UHFFFAOYSA-N 389.455 3.751 0 40 GHAB C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1cccc(Cl)c1 12776370 RSYFOUSNQKJFJD-OLZOCXBDSA-N 392.908 3.542 0 40 GHAB O=C(NCc1ccc(OC(F)(F)F)cc1)N1CCN(Cc2cccs2)CC1 12809906 POWQHSSLFUPZOB-UHFFFAOYSA-N 399.438 3.674 0 40 GHAB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 12887323 GDAXRUXXPGUTBD-HXUWFJFHSA-N 384.501 3.512 0 40 GHAB COc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 12918053 QDYBGKJNSIFGNW-UHFFFAOYSA-N 386.839 3.727 0 40 GHAB O=C(CCNC(=O)NCc1ccccc1)N[C@@H](c1ccccc1)c1cccs1 12919967 RLXMKCZQHUMYMF-NRFANRHFSA-N 393.512 3.843 0 40 GHAB Cc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)cc1 13058154 UAVKACHDZUBKDQ-UHFFFAOYSA-N 383.473 3.729 0 40 GHAB CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2C)cc1OCC 13648276 XPTIWJUOFRNTFQ-INIZCTEOSA-N 377.506 3.973 0 40 GHAB O=S(=O)(NCCCOC1CCCCC1)c1ccc(OC(F)(F)F)cc1 15359814 IUFXPTDNNKRXOG-UHFFFAOYSA-N 381.416 3.603 0 40 GHAB CCOC(=O)c1sc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)nc1C 16182490 NIOBMNXCQZSFFO-UHFFFAOYSA-N 378.837 3.696 0 40 GHAB Cc1ccc(/C=C/C(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)cc1 16742346 XBQGXWJZIFNTGJ-LKGOPFMKSA-N 389.542 3.594 0 40 GHAB O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1cc2ccccc2oc1=O 16838466 KEKUZRXYMYCMLO-UHFFFAOYSA-N 382.322 3.656 0 40 GHAB COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 17976127 ALEGWGLRDQQBMM-IRXDYDNUSA-N 379.412 3.594 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)c1ccc(O)cc1O 18322527 BVEONIBBGRWIAH-VIFPVBQESA-N 385.199 3.598 0 40 GHAB Cc1ccccc1-c1cccc(C[C@H]2CN(C(=O)C3CCC3)CCNC2=O)c1 19237451 NIUUULQISGYYCN-NRFANRHFSA-N 376.500 3.579 0 40 GHAB COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(CC4CC4)C[C@H]23)c1 19566323 GHHJRSPLHAZIAO-DNVJHFABSA-N 382.548 3.912 0 40 GHAB CCn1cc(CN2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCCN3C(C)=O)cn1 19713056 ANKGWWFGBGXDLZ-SMIHKQSGSA-N 394.563 3.880 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl 20104349 SMEADZQYQVTUQE-UHFFFAOYSA-N 393.823 3.795 0 40 GHAB O=C(O)/C=C/c1ccc(OCc2ccc(I)cc2)cc1 20134208 HSBSALCWKYDCPA-BJMVGYQFSA-N 380.181 3.968 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H]1CCCc2ccccc21 20483155 SPEMMCMFXVXXRD-OAQYLSRUSA-N 398.528 3.587 0 40 GHAB COc1ccc(CNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1OC 20487623 KVCGLFMEMGBLSJ-QGZVFWFLSA-N 382.504 3.866 0 40 GHAB Cc1cc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 21128930 RSQGNCHAOLSCCI-SFHVURJKSA-N 396.487 3.632 0 40 GHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc(OC[C@@H]2CCCO2)c1 22609591 QRDXQCNJAPMQFU-GOTSBHOMSA-N 394.515 3.811 0 40 GHAB C[C@H](NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 23039715 WFEWJRNFBOEZJE-ZWKOTPCHSA-N 379.504 3.603 0 40 GHAB COc1cccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)c1 23172665 NUHSDNPNQARRSD-UHFFFAOYSA-N 388.470 3.810 0 40 GHAB Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccco3)cc2)cs1 24220623 MHZCRUCDOSTWNP-KRWDZBQOSA-N 381.457 3.955 0 40 GHAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1 24577581 QMDHJVCJDMASEU-SFHVURJKSA-N 380.469 3.737 0 40 GHAB C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 24983398 AWGZQZKTUMYCSD-QMMMGPOBSA-N 398.772 3.968 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)o1 25670430 QHWVXWXKNFIZOJ-AZLLNVJASA-N 378.425 3.566 0 40 GHAB CCNC(=O)[C@H](C)NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 25681659 QLNMIPKTRAFPKZ-AWEZNQCLSA-N 379.485 3.732 0 40 GHAB COc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 28293270 NANQBUHUVYHQBW-CQSZACIVSA-N 385.851 3.999 0 40 GHAB COc1cc(C(=O)N(Cc2cccnc2)C2CC2)cc(OC)c1Br 28517224 LTCYYLPIURSBCZ-UHFFFAOYSA-N 391.265 3.666 0 40 GHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C 29975626 BVYJUTMEMDGTAD-ZIAGYGMSSA-N 394.537 3.987 0 40 GHAB O=C(CCCNC(=O)c1ccco1)NCc1cccc(Oc2ccccc2)c1 32362256 BNZBBLNHEVCCMN-UHFFFAOYSA-N 378.428 3.898 0 40 GHAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)[C@H]1CCCO1 32647529 YHTQETXNLYUAHB-OAHLLOKOSA-N 383.370 3.673 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)Cc1c(Cl)cccc1Cl 32929783 AZSYEEKPVHNFST-RYUDHWBXSA-N 378.321 3.698 0 40 GHAB C[C@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)NCc2cccc(Cl)c2)N=C1O 36593925 NBVMJOPWTOJCLR-KDOFPFPSSA-N 399.878 3.622 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1C 36716807 WKQKDPVNRORREU-UHFFFAOYSA-N 399.454 3.999 0 40 GHAB O=C(Nc1ncc(Cc2cccc(F)c2)s1)C1CCN(c2ncccn2)CC1 40133524 KJEFKRYOSFMPSV-UHFFFAOYSA-N 397.479 3.518 0 40 GHAB C[C@@H](SCc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccncc2)CC1 40154046 WZAHMVJVYJODMS-MRXNPFEDSA-N 383.517 3.581 0 40 GHAB Cc1ccc(O[C@@H](C)C(=O)Nc2nn3c(-c4cccc(C)c4)nnc3s2)cc1 41076450 BYINRAWTYVJMTR-AWEZNQCLSA-N 393.472 3.876 0 40 GHAB O=C(NCc1cccs1)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 43990762 HPRPIJXISMAOGR-UHFFFAOYSA-N 397.500 3.846 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 44899961 VZPQFDLBKRTFSO-ZDUSSCGKSA-N 391.489 3.518 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 44904412 LHESOSYWZSEDFD-QGZVFWFLSA-N 386.517 3.579 0 40 GHAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(sc3ncccc32)c1=O 45895498 SQRIBEMFKKHHHN-UHFFFAOYSA-N 384.848 3.607 0 40 GHAB Cc1cc(Br)c(O)c(C(=O)Nc2cccc(Cn3ccnc3)c2)c1 47830911 RJWZLSNGWYHSML-UHFFFAOYSA-N 386.249 3.960 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)C2CCN(CC(F)(F)F)CC2)n1 48235843 NIKLQPUJYAWUNC-UHFFFAOYSA-N 380.414 3.702 0 40 GHAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)ccc1Cl 54758645 GRUCYSLNQLWJSY-VIFPVBQESA-N 399.638 3.717 0 40 GHAB C[C@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Cl)cc1 57363697 XXFGXSWUFWERKP-LBPRGKRZSA-N 390.274 3.863 0 40 GHAB COc1ccccc1-c1nnc(SCc2ccn(-c3ccccc3)n2)n1C 58222653 ZPWYAEDQQWXPRR-UHFFFAOYSA-N 377.473 3.969 0 40 GHAB Cc1cc(C)n(-c2ccc(COC(=O)c3ccc4c(c3)NC(=O)CS4)cc2)n1 61086064 LCYICQHVDDRKDS-UHFFFAOYSA-N 393.468 3.890 0 40 GHAB CCc1ccc(CNC(=O)c2nc(-c3nc(-c4ccncc4)no3)cs2)cc1 65230657 UTDFJODRGUXVNA-UHFFFAOYSA-N 391.456 3.748 0 40 GHAB CCCN(CCC)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccccc1 67236676 XHUMTYIFCSWBID-UHFFFAOYSA-N 398.532 3.763 0 40 GHAB CCN1CCN(c2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)CC1 67262700 VUPBCHXPODUMEP-UHFFFAOYSA-N 392.894 3.740 0 40 GHAB CC[C@H](NC(=O)c1ccc(OC)c(OC(F)F)c1)[C@@H](O)c1ccccc1F 72311580 PKLXWTZKRYUCJN-YOEHRIQHSA-N 383.366 3.678 0 40 GHAB Cc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4)n3)c2C)cc1C 72333374 JTHTUXPNLQIHOU-UHFFFAOYSA-N 390.472 3.963 0 40 GHAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(CC3CCCCC3)C2)cc1 72346047 VWKWOVQMKZPUOL-IBGZPJMESA-N 393.535 3.584 0 40 GHAB CCCN1CCN(C(=O)C2CCC2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351900 VDFFJZBFUHPTEL-QFIPXVFZSA-N 391.515 3.541 0 40 GHAB Cc1cc2ncc(CN(C)C)c([C@@H]3CCCN3C(=O)c3ccc(Cl)cc3)n2n1 72377293 JAHBCTQBFZFYAE-SFHVURJKSA-N 397.910 3.730 0 40 GHAB Oc1cc(C2CCN(Cc3c(F)cccc3F)CC2)nc(-c2ccccn2)n1 72392839 YKVBACWDMIEUGW-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@](O)(c1ccco1)C1CC1 77099470 ZXIKERMWALSFCF-HXUWFJFHSA-N 386.835 3.924 0 40 GHAB Cn1nc(-c2ccccc2Cl)cc1C(=O)N1CCN(Cc2ccccc2)CC1 79482050 NOKGEDJHDNPHFE-UHFFFAOYSA-N 394.906 3.699 0 40 GHAB Cc1cc(C)c(C)c(S[C@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)c1C 84075076 YYTJOXFHFKKVNJ-ROUUACIJSA-N 376.566 3.761 0 40 GHAB Cc1csc(SCC2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 90608153 SMIRPBYTJJCKFY-UHFFFAOYSA-N 382.576 3.786 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C 95414218 YFDFWRAVUXONKR-KRWDZBQOSA-N 386.496 3.977 0 40 GHAB O=C1CCc2cc(C(=O)Nc3nc(-c4ccc5c(c4)CCO5)cs3)ccc2N1 95946963 VQWAFOXEDJLZQP-UHFFFAOYSA-N 391.452 3.882 0 40 GHAB CSC[C@@H](NC(=O)N1CCN(c2ccc(Cl)cn2)CC1)c1ccccc1 95960529 BJVIOZAJNNXMQZ-QGZVFWFLSA-N 390.940 3.671 0 40 GHAB CC(C)CCNc1cnn(C23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3C(=O)O)c(=O)c1Cl 101094029 YNDPLAHRHPBCOR-QHQYNJRBSA-N 393.915 3.591 0 40 GHAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 222868494 PILNQPAALUVJMB-MOPGFXCFSA-N 375.490 3.515 0 40 GHAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 222958307 TZJJALFKIRMXNV-PWIZWCRZSA-N 384.549 3.835 0 40 GHAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c(OC)c1OC 223409449 HUQODLRIUFDAHH-OAHLLOKOSA-N 399.487 3.675 0 40 GHAB COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)cc1C(C)C 223702251 UFZLSVPTCGSSKW-UHFFFAOYSA-N 399.516 3.791 0 40 GHAB O=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223924029 AMTXITKCLUDFPC-UHFFFAOYSA-N 384.432 3.557 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc(OC)cc1 225378689 TUQQRRMHBSAEHQ-QGZVFWFLSA-N 397.880 3.565 0 40 GHAB Cc1ccc(NC(=S)NCCCN2CCC[C@@H](C)C2)cc1N1CCCC1=O 225737778 OUFPFISNSGHKRJ-MRXNPFEDSA-N 388.581 3.530 0 40 GHAB COc1ccccc1C1OCC(C)(C(=O)Nc2ccc(OC(C)C)nc2)CO1 225921236 CWKOMNLXITVDFT-UHFFFAOYSA-N 386.448 3.568 0 40 GHAB COc1ccc(C(=O)Nc2cc(Br)c3nc(NN)sc3c2)cc1 226310898 KQLOQWWFPFGNKQ-UHFFFAOYSA-N 393.266 3.605 0 40 GHAB COCCOc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)c1 257279915 OIRVOZCTEHWAHU-JJYSZZJESA-N 387.520 3.730 0 40 GHAB Cc1cccc(N2[C@H]3CCCN(CC(N)=O)[C@H]3C[C@@]2(C)Cc2ccc(F)cc2)c1 257294814 QVVOKGIUMGFMTE-WPFOTENUSA-N 395.522 3.664 0 40 GHAB O=C(c1ccsc1)N1CC[C@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306125639 CWROEVUDBAFUKK-FQEVSTJZSA-N 383.448 3.566 0 40 GHAB O=S(=O)(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(Br)cc1 408713071 JESTUNSMIZKHIL-UHFFFAOYSA-N 378.251 3.640 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 408999183 POYZMEDRUAFKCN-QGZVFWFLSA-N 386.835 3.915 0 40 GHAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)o3)C2=O)c1 409159527 QUVMWTCNGNRVGO-OQLLNIDSSA-N 388.470 3.985 0 40 GHAB O=S(=O)(Nc1cc(-c2cccnc2)[nH]n1)c1cccc(-c2ccccc2)c1 506814770 KCMBKHXJLHDPEU-UHFFFAOYSA-N 376.441 3.940 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCN(c2ccccc2)C1=O 517566656 NFDAGSSWFKDBQU-KRWDZBQOSA-N 395.846 3.839 0 40 GHAB Cc1c(C(=O)O)sc2nc(CN(C)C)nc(N[C@@H]3CCCC(F)(F)C3)c12 566290350 GHZRXLORURISFN-SNVBAGLBSA-N 384.452 3.749 0 40 GHAB O=C(Cc1cccc(F)c1)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2 585099769 SJNOPFCMGPEDSI-UHFFFAOYSA-N 398.453 3.549 0 40 GHAB Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccsc3)cc2)s1 585148210 ZPSGTOMGGMJGAG-MRXNPFEDSA-N 379.528 3.797 0 40 GHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@@H](Oc2cnsn2)C1 618257457 WTBHUAFLWAUWFI-OAHLLOKOSA-N 392.440 3.640 0 40 GHAB O=C1CC[C@]2(CCCN(C(=O)C3(F)CCC3)CC2)N1Cc1cccc(F)c1 1614948110 WWKUMBREHJFBKD-FQEVSTJZSA-N 376.447 3.592 0 40 GHAB Cc1ccc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)cc1F 1615159511 VRTHGEUKWARACB-QHCPKHFHSA-N 396.462 3.562 0 40 GHAB Cn1c(N2CCC[C@H](COc3ncccc3C(F)(F)F)C2)nc2cccnc21 1775972732 SVRLIPHMCXOOEJ-ZDUSSCGKSA-N 391.397 3.678 0 40 GHAB Cc1ccccc1C(=O)NCc1nnc(SCc2ccc(Cl)cc2)n1C 667465 GSJYERXULQQKQW-UHFFFAOYSA-N 386.908 3.999 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccccc2Cl)cc1 1379454 JKCLGVVOXDFLRQ-SFHVURJKSA-N 387.867 3.661 0 40 GHAB CCOC(=O)C[C@H](c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1 1682189 FUWCCRRLLMKJGO-OAHLLOKOSA-N 388.416 3.526 0 40 GHAB CCOC(=O)N1N=N[C@H](c2ccccc2)[C@]1(c1ccccc1)N1CCOCC1 1720272 AAOMVLZPTXZACL-TZIWHRDSSA-N 380.448 3.752 0 40 GHAB O=C1C(Cl)=C(Nc2cccc(Br)c2)C(=O)N1Cc1ccccc1 1907088 IMGSEGPJIJWILR-UHFFFAOYSA-N 391.652 3.880 0 40 GHAB CCCCCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 2058002 SUSYEXQPBPSMAU-UHFFFAOYSA-N 392.912 3.559 0 40 GHAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2N)c1 2207697 MXMHAOPEOZMFKD-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB O=C(O)c1ccccc1[C@H]1Nc2ccccc2S(=O)(=O)N1Cc1ccccc1 2502568 BXLWHDQQZKVIHT-FQEVSTJZSA-N 394.452 3.700 0 40 GHAB COc1ccc([C@]2(O)CN(c3cc(C)ccc3C)C3=[N+]2CCCC3)cc1OC 2966290 TWWXHEMMPNABHL-HSZRJFAPSA-N 381.496 3.581 0 40 GHAB CCCCCCn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21 3037885 DSSQCQDSBZJMAP-UHFFFAOYSA-N 381.432 3.640 0 40 GHAB O=C1c2ccccc2C(=O)N1CCSc1nnc(NC2CCCCC2)s1 3285640 WMEOXQKXDCIAJY-UHFFFAOYSA-N 388.518 3.671 0 40 GHAB O=C(CSc1cccc[n+]1[O-])Nc1ccc(Cl)cc1C(=O)c1ccccc1 3318284 BBAOWWFEAFMOTG-UHFFFAOYSA-N 398.871 3.935 0 40 GHAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)c1 3472372 QQUHGYBJTRVHDQ-UHFFFAOYSA-N 387.896 3.660 0 40 GHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)cc1 3477894 IGJSNEZJRASAGU-UHFFFAOYSA-N 383.429 3.644 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(N)cc3)n2CC)cc1 4676004 HJKKUPMKYDXWRC-UHFFFAOYSA-N 397.504 3.677 0 40 GHAB O=C(O)c1cccc(-n2c(/C=C/c3ccccc3O)nc3ccccc3c2=O)c1 4812043 MKNMFUFAQGURSM-OUKQBFOZSA-N 384.391 3.960 0 40 GHAB Cc1ccc(NC(=O)N(CCCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 4860166 KDSCUGSFYZYFCB-UHFFFAOYSA-N 393.487 3.870 0 40 GHAB CCOc1ccc(-c2nnc3n2N=C(c2ccc(OC)c(OC)c2)CS3)cc1 5101101 ZEZWFQXLRWZNEF-UHFFFAOYSA-N 396.472 3.719 0 40 GHAB COc1cccc2c1OC1(CCNCC1)N1N=C(c3ccccc3Cl)C[C@H]21 5194526 RCQCUBWFGXMTNM-GOSISDBHSA-N 383.879 3.972 0 40 GHAB CN(C)CCN(C(=O)Cc1ccc(F)cc1)c1nc2ccc(F)cc2s1 5268253 IPFSZEXFBJCCHL-UHFFFAOYSA-N 375.444 3.712 0 40 GHAB Cc1ccc(C(=O)OCc2nc3ccccc3[n+]([O-])c2C(=O)c2ccccc2)cc1 5298099 PDZNRRUZEBLYGR-UHFFFAOYSA-N 398.418 3.765 0 40 GHAB C[C@H]1C[C@H](C)CN(C(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)C1 5304226 BPWLQTIKXCFECY-IRXDYDNUSA-N 375.472 3.563 0 40 GHAB CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C)c3C)n2)cc1 5396147 LMKQIZMACSJDKF-UHFFFAOYSA-N 377.444 3.565 0 40 GHAB CN(C)P(=NC(=S)N1CCOCC1)(N(C)C)C12CC3CC(CC(C3)C1)C2 5445409 OBGUQCGXLQFQDN-UHFFFAOYSA-N 398.557 3.727 0 40 GHAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 5448254 ZQILUICFABLBBW-WFASDCNBSA-N 378.929 3.923 0 40 GHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1OC 5477702 KLPJXCVFZKGVQE-UHFFFAOYSA-N 386.452 3.844 0 40 GHAB Cc1ccccc1OCc1nnc(S[C@@H]2CCOC2=O)n1-c1ccccc1 5701144 YBTWGAUSHFBUTO-QGZVFWFLSA-N 381.457 3.562 0 40 GHAB Cc1cc(C)cc(OCCNC(=O)COc2ccc(Br)cc2)c1 5749826 HILUYJCNNPAKTK-UHFFFAOYSA-N 378.266 3.640 0 40 GHAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N1CCCc2ccccc21 6087121 SARGHYMQQSHYNK-UHFFFAOYSA-N 388.254 3.683 0 40 GHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)CCC3)n1C 6087471 RZCWMMHFCKQYGT-UHFFFAOYSA-N 394.500 3.710 0 40 GHAB CNC(=O)c1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 6648611 AWODCPCXTPOQOJ-UHFFFAOYSA-N 379.279 3.540 0 40 GHAB O=c1c2sccc2n(Cc2c(F)cccc2Cl)c(=O)n1Cc1ccco1 6678829 NDEVNTFNONEWHJ-UHFFFAOYSA-N 390.823 3.707 0 40 GHAB COc1cccc(N2CCN([C@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)c1 7244021 IKBPWGPVEFAGDV-GOSISDBHSA-N 381.520 3.968 0 40 GHAB O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(C2CCCCC2)cc1 7709251 SEFUMLIGZFYMDG-UHFFFAOYSA-N 383.477 3.715 0 40 GHAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1 7709380 FTNWAJQEDSGOTG-UHFFFAOYSA-N 399.516 3.605 0 40 GHAB Cc1ccc(NC(=O)NC(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)c1 7905327 BCSYEUBQQUBUQZ-UHFFFAOYSA-N 385.493 3.548 0 40 GHAB CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)NC1CCCCC1)CCCC2 7977328 SFYMHJOPGFDTJH-LBPRGKRZSA-N 392.521 3.580 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1OC 8160791 UCMZOWHZLLVTMT-IPVAERDFSA-N 383.444 3.914 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1C 8294392 UARAZOQJDOFOND-UHFFFAOYSA-N 396.274 3.852 0 40 GHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCc2ccccc21 8389705 XUHAWHFXYZHEEX-UHFFFAOYSA-N 393.493 3.776 0 40 GHAB Cn1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 8706866 XIINIOCZRYFBJI-UHFFFAOYSA-N 397.500 3.605 0 40 GHAB Cc1coc2cc3oc(=O)c(CC(=O)N(C)CCc4ccccn4)c(C)c3cc12 8764785 QOVCDBZDJXOQJX-UHFFFAOYSA-N 390.439 3.795 0 40 GHAB biogenic COc1ccc(-c2nc(CC(=O)NCc3ccc(OC)c(OC)c3)cs2)cc1 9184070 IUYZFVXUKXDFMH-UHFFFAOYSA-N 398.484 3.695 0 40 GHAB Cc1ccc(C(=O)NCCCNC(=O)c2ccc(-c3cccc(Cl)c3)o2)cn1 9227301 CKAKIBIFBCDBEO-UHFFFAOYSA-N 397.862 3.853 0 40 GHAB COc1ccc(OCCCC(=O)NCc2ccccc2CN2CCCC2)cc1 10277076 IPGWIBRXKNGSKS-UHFFFAOYSA-N 382.504 3.766 0 40 GHAB O=C(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 10911470 MTAPVAJEPIJBJA-UHFFFAOYSA-N 395.484 3.662 0 40 GHAB CN(CCCC(=O)Nc1cccc2c1CCCC2)S(=O)(=O)c1cccs1 11430036 PNTGFIYXDSFVBB-UHFFFAOYSA-N 392.546 3.666 0 40 GHAB Cc1cc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)ccc1N1CCCC1=O 11746596 JQRGLVTTWKIAQL-UHFFFAOYSA-N 395.484 3.808 0 40 GHAB COc1ccc(OC)c(-c2cc(C(=O)N3CCn4cccc4[C@@H]3C(C)C)[nH]n2)c1 12116941 YYOJZWHDWUCOCK-NRFANRHFSA-N 394.475 3.749 0 40 GHAB CCCn1c(S[C@H](C(N)=O)c2ccccc2)nc2sc(CC)cc2c1=O 12487299 SJXDQBFLHKQHTE-HNNXBMFYSA-N 387.530 3.749 0 40 GHAB CCOc1ccc(OCCCC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1 12628050 MQFGUCYMUZMEIV-JOCHJYFZSA-N 393.487 3.884 0 40 GHAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c1)[C@@H]1CCCO1 12987511 JJXQWGOUALFFHV-RTWAWAEBSA-N 378.472 3.651 0 40 GHAB COc1ccc(-c2n[nH]c3c2[C@@H](C(=O)c2ccc(C)s2)CC(=O)N3)cc1OC 13997005 WZKHVIGXWGIRQM-LBPRGKRZSA-N 397.456 3.773 0 40 GHAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)N2CCCC2)c1 14429792 RQVCDAOMNWYDGN-UHFFFAOYSA-N 398.406 3.742 0 40 GHAB C[C@@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)Nc1cccnc1Cl 14855364 RFBFKNZRVZPURB-WTNCMQEWSA-N 381.819 3.867 0 40 GHAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(C)Cc1ccc(Cl)c(Cl)c1 15449610 VZZXYAVYWDDRNK-GFCCVEGCSA-N 395.286 3.859 0 40 GHAB CN(Cc1ccccc1Cl)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 15650048 QCFOILZOVJBXLT-UHFFFAOYSA-N 388.870 3.990 0 40 GHAB CC(=O)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 17485017 WBSIKDAOHQHSBZ-UHFFFAOYSA-N 382.489 3.635 0 40 GHAB Cc1cccc(-c2ccccc2C[C@]2(C(N)=O)CCN(C(=O)c3ccccn3)C2)c1 19235506 NWGKUPDDIMJIFA-RUZDIDTESA-N 399.494 3.617 0 40 GHAB COc1ccc([C@@H](Cc2cc(=O)[nH]c(C3CCC3)n2)NC(=O)C2CCCC2)cc1 19553285 RCGSJWGNBYAFIJ-HXUWFJFHSA-N 395.503 3.636 0 40 GHAB CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)Nc2cccc(-n3cccn3)c2)nn1 19660091 INYVZBBXIRMVJY-FQEVSTJZSA-N 390.422 3.855 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 19931919 RRCBGWGIANSDQU-CYBMUJFWSA-N 389.473 4.000 0 40 GHAB COc1ccc2[nH]cc([C@@H](O)CN3CCN(c4cc(Cl)ccc4C)CC3)c2c1 20057265 WAUXLIREQJIRPJ-QFIPXVFZSA-N 399.922 3.994 0 40 GHAB CN(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1c(F)cccc1Cl 22060323 LWYHHYVINGZAIY-UHFFFAOYSA-N 389.858 3.676 0 40 GHAB O=S(=O)(N1CCCCCC1)N1CCCC[C@H]1c1nc2ccccc2s1 22412905 IDXPEVCMWAOPSN-INIZCTEOSA-N 379.551 3.944 0 40 GHAB O=C(CCC(=O)N1CCN(Cc2cccs2)CC1)c1ccc2c(c1)CCCC2 23732300 WZEQRAXIIGZBBW-UHFFFAOYSA-N 396.556 3.934 0 40 GHAB Cc1nc(NC(=O)CCc2c(C)noc2C)sc1-c1nccn1C(F)F 24032450 UWZCMXQWDJPFEK-UHFFFAOYSA-N 381.408 3.886 0 40 GHAB CC(C)(C)C(=O)NCCC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 25062870 BACSMHAHNOTJBC-UHFFFAOYSA-N 381.448 3.503 0 40 GHAB NC(=O)CSc1ccccc1C(=O)NCC1(c2ccccc2)CCCCC1 25251397 VWPPYZPLJZKQDA-UHFFFAOYSA-N 382.529 3.896 0 40 GHAB Cc1cc(C)n(CCC(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)n1 25597402 CZFMEIPKOHXWKC-UHFFFAOYSA-N 380.424 3.552 0 40 GHAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1cccc(Br)c1 27735294 SJGUOKNWHSKSDA-GFCCVEGCSA-N 376.250 3.988 0 40 GHAB CC[C@H](CNC(=O)c1ccc(Br)o1)N1CCc2ccccc2C1 29909201 IUEJABBGKJBHPG-OAHLLOKOSA-N 377.282 3.609 0 40 GHAB Cc1nn(C)c2ncc(NC(=O)c3cc4cc(Br)ccc4[nH]3)cc12 30805613 FCSFZPUIBASPMG-UHFFFAOYSA-N 384.237 3.773 0 40 GHAB CC[C@@H](NC(=O)CCNC(=O)c1cccs1)c1ccccc1OC(F)F 31756035 YVPQSWZMBRSWHC-CYBMUJFWSA-N 382.432 3.737 0 40 GHAB CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2ccc(F)cc21 32093727 ZYEVGOSTUGMDSM-FQEVSTJZSA-N 396.809 3.919 0 40 GHAB CCOc1ccc(OCCNC(=O)c2ccccc2OCc2ccncc2)cc1 32407355 YNUZNXLVYKGROB-UHFFFAOYSA-N 392.455 3.868 0 40 GHAB CCCCc1ccc([C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)c2cccs2)cc1 32768939 KZCHEECMKMMLQW-HKUYNNGSSA-N 391.558 3.731 0 40 GHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccnn2Cc2ccccc2)C1 32868998 WXIDQSQKBMYQCQ-QGZVFWFLSA-N 384.480 3.517 0 40 GHAB C[C@H](C(=O)N1CCc2ccccc21)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 32929716 FZGKZHKLNPSOQK-CYBMUJFWSA-N 397.418 3.598 0 40 GHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 32994808 QPXKERRFDGECSG-LLVKDONJSA-N 384.785 3.794 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)[C@@H](C)c2cccs2)c1 33235445 HFHUSEWPAVGURR-ZDUSSCGKSA-N 398.525 3.751 0 40 GHAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OC(C)=O 34737021 ARDPQMHCTJRMEY-WQRHYEAKSA-N 383.425 3.857 0 40 GHAB CC[C@@H](c1nnnn1C(C)C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 35291347 UXYCSBJXKUQFMF-INIZCTEOSA-N 382.434 3.546 0 40 GHAB COCCN1CCCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3C)cc21 35588269 JLMNWBLUDWAMKV-UHFFFAOYSA-N 394.924 3.848 0 40 GHAB O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 38851253 BUSYKZFZXQNJFY-IBGZPJMESA-N 399.485 3.526 0 40 GHAB O=c1/c(=C\c2ccccc2Cl)sc2nc(/C=C/c3ccc(F)cc3)nn12 39835505 XWUTVQKIOKEIKN-RWZRJOGJSA-N 383.835 3.662 0 40 GHAB COc1ccccc1OCC(=O)NCc1ccccc1CN1CCC[C@H](C)C1 40107104 OAFHPRJXJFRPLN-SFHVURJKSA-N 382.504 3.622 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc(I)cc2)ccc1F 41091253 YCJBHTUGHKTVRK-UHFFFAOYSA-N 391.205 3.540 0 40 GHAB CCOc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1 41157433 LSCUQPWHAKBXLI-FQEVSTJZSA-N 384.476 3.877 0 40 GHAB NC(=O)[C@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)C1 45887699 IPVIHOAAKSMNLC-JTQLQIEISA-N 390.226 3.640 0 40 GHAB CSCC[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1nc2ccccc2[nH]1 49600752 FQUKIAIKNDVJKH-LJQANCHMSA-N 396.516 3.674 0 40 GHAB CCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccsc2c1=O 57425117 OORLMVIHVMZPRH-UHFFFAOYSA-N 389.502 3.607 0 40 GHAB CC[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2cccc(C)c2C)CC1 57670551 ZQVVSGQIDKSQTP-OAQYLSRUSA-N 390.535 3.612 0 40 GHAB Cc1cc2nc(NC[C@@H](O)COc3c(C)cccc3C)c3ccccc3n2n1 58412822 WZNNCEDJKPVKGM-QGZVFWFLSA-N 376.460 3.660 0 40 GHAB O=C(CN1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1 67194162 COHVHIIBPBUPQU-UHFFFAOYSA-N 377.257 3.593 0 40 GHAB Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)CCC4)n(C(C)C)c(=O)c2[nH]1 67236165 BWVMPYQTOWMCJI-UHFFFAOYSA-N 396.516 3.833 0 40 GHAB O=C(Cn1ccc2ccccc21)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 70637085 UYRSLCQATDEDHW-UHFFFAOYSA-N 392.846 3.971 0 40 GHAB Cc1ccccc1C(=O)N1CCN(c2c(Cl)ccc3sc(N)nc23)CC1 72230124 KPOPUNTXJHQXND-UHFFFAOYSA-N 386.908 3.803 0 40 GHAB C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1ncc(C(C)(C)C)o1 72309346 SYNJOYYDOHGTLJ-JTQLQIEISA-N 398.290 3.714 0 40 GHAB CCc1n[nH]c(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)c1C 72362812 BPLCILDHLLJAAJ-INIZCTEOSA-N 391.475 3.883 0 40 GHAB Cc1cc(C(=O)O)ccc1S(=O)(=O)Nc1ccc(Oc2ccncc2)cc1 84101479 VKQCDSPTDJNCKW-UHFFFAOYSA-N 384.413 3.681 0 40 GHAB Cc1ccc(CNC(=O)NC2(C)Cc3ccccc3C2)c(O[C@H]2CCOC2)c1 92289831 MMRMUNLWSLHCKE-FQEVSTJZSA-N 380.488 3.519 0 40 GHAB Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]c2c1 95400122 MCJCXVQTKPDPFJ-MAUKXSAKSA-N 398.507 3.792 0 40 GHAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)N[C@H]1CCO[C@@]2(CCOC2)C1 95458149 GAGQQKALYUSGEG-JXFKEZNVSA-N 393.915 3.790 0 40 GHAB O=C(OCc1ccccc1)C1CN(C(=O)c2ccc(Oc3ccccc3)o2)C1 95467389 KWBHYAOWNPPJJC-UHFFFAOYSA-N 377.396 3.887 0 40 GHAB O=C(Nc1cccc(F)c1F)N1CCCN(C(=O)Oc2ccccc2)CC1 95959322 JWCDERMRGDOWOQ-UHFFFAOYSA-N 375.375 3.703 0 40 GHAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)[C@H](C)C[S@@](C)=O)cc3)o2)c1 96012199 JXKXYTPBDIQPJO-JMGYQRAPSA-N 397.500 3.551 0 40 GHAB Cc1ccc(CN2CC[C@@]3(CC(C(=O)NC[C@@H](C)c4ccccc4)=NO3)C2)cc1 96225723 XHPZHGNKPXTLLQ-NTKDMRAZSA-N 391.515 3.636 0 40 GHAB CNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 96241896 BPNXRUKYGXNQJA-KRWDZBQOSA-N 380.463 3.623 0 40 GHAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)Nc1ccc(-n4ccc(C)n4)cc1)(C3)C2 101468911 BOXBJOORCRUKLG-YUOVDFJASA-N 392.503 3.594 0 40 GHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102151414 WLRKQGSQHHILMT-LNMJFAINSA-N 381.472 3.946 0 40 GHAB C[C@]12CCC(=O)N1[C@H](C(=O)N[C@H](c1ccc(F)cc1)c1cccs1)CS2 108952639 BXYGQPVNWSPSAS-YJLNNSPDSA-N 390.505 3.547 0 40 GHAB COc1ccc(CCCNC(=O)COc2cccc3ccccc23)cc1OC 195693339 KQQKEGMHNHDURF-UHFFFAOYSA-N 379.456 3.985 0 40 GHAB CC[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1)c1ccc2c(c1)CCCC2 223129680 KEBHQQWFOPSBOB-HXUWFJFHSA-N 387.501 3.782 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NCCOc1cccc2ccccc12 223576375 USNHLQGHROUQMR-UHFFFAOYSA-N 391.876 3.859 0 40 GHAB CCCC[C@H](CC)CNC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 223893625 VPVIZOYKMUOLQE-MSOLQXFVSA-N 382.570 3.791 0 40 GHAB COc1cccc(CN(C(=O)Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)c1 224453851 WNTJKBPBXORMKV-LJQANCHMSA-N 396.531 3.736 0 40 GHAB O=C(NCCOc1ccc(F)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 224535434 XGWAYNCZQVFMQA-UHFFFAOYSA-N 390.886 3.886 0 40 GHAB CCOC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(F)cc1 224913482 WRMPYTXBQJSPDV-UHFFFAOYSA-N 385.844 3.546 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)c1 225721572 BWBNAOQYQGHQJZ-IBGZPJMESA-N 391.489 3.548 0 40 GHAB O=C(c1cnccn1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257291185 QGABPJZQLSVFMT-OAHLLOKOSA-N 382.851 3.729 0 40 GHAB C[C@@]12C[C@H]3CN(C(=O)c4ccc(Cc5ccccc5)nc4)[C@@H]1CCCC[C@@H]2N3 257311961 ULTQWTHOMAVBAJ-YCSHWKNNSA-N 375.516 3.808 0 40 GHAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)C5CC5)C4)nn3c2)c1 306135621 OWCMYYIRTSDZQC-SFHVURJKSA-N 376.460 3.521 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 408638505 CRKAJPUWMCGKNO-GOSISDBHSA-N 394.471 3.944 0 40 GHAB COc1ccc(-c2[nH]c(=Nc3cccc(C)c3)sc2CC(=O)O)c(OC)c1 408891273 NWHZTLMCUQFXAF-UHFFFAOYSA-N 384.457 3.928 0 40 GHAB COc1cc(Br)cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1OC 409023782 PNIZTFAFZLXOMI-WUXMJOGZSA-N 386.267 3.911 0 40 GHAB C[C@@H]1CCC2=NN(C(=O)CSCc3ccccc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409350977 VCZPOHDCTFAKND-IFIJOSMWSA-N 386.439 3.805 0 40 GHAB CCN(CC)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 409383988 UBOAGHSHSYVGDH-UHFFFAOYSA-N 394.924 3.712 0 40 GHAB Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)[C@H]2CCC(=O)c3cccn32)c1 562511111 HNGFVAYTMZROPC-MRXNPFEDSA-N 382.851 3.924 0 40 GHAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(Cc1nc3ccccc3s1)CC2 564219283 UTKUVRRQSTTYHE-INIZCTEOSA-N 398.484 3.888 0 40 GHAB CC(C)(C)[C@H](NC(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)c1ccccc1 566714693 PLNLFDAXWBGEBM-ODERCGEQSA-N 380.532 3.582 0 40 GHAB O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccc(OCC(F)F)cn2)no1 576302683 CNGRTOZISUHXAA-UHFFFAOYSA-N 380.738 3.681 0 40 GHAB O=C(Cc1nsc2ccccc12)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 577948477 HDOKRSUMXAOHMP-NSHDSACASA-N 394.422 3.987 0 40 GHAB Cc1ncsc1CN1C[C@@H](C(=O)O)[C@H](c2ccc(Br)cc2)C1 583030084 CUKMRDZJCBNCIM-UONOGXRCSA-N 381.295 3.514 0 40 GHAB CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1ocnc1C(F)F 585123217 DCFABRXLCCQBDC-UHFFFAOYSA-N 396.781 3.967 0 40 GHAB C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN2CC[C@H]1C2)c1ccccc1 615565151 SEOUXWMZPKYROE-MBSDFSHPSA-N 391.540 3.713 0 40 GHAB CCCc1c(C(=O)Nc2ccnc(COC)n2)nnn1-c1cccc(C(C)C)c1 622957315 UWCOYCVLTBUJET-UHFFFAOYSA-N 394.479 3.532 0 40 GHAB FC(F)c1ccc(-c2noc(-c3nc(N4CCCC4)ncc3Cl)n2)cn1 664959649 NOZMURAYLXQYOE-UHFFFAOYSA-N 378.770 3.780 0 40 GHAB CC(=O)N1CCCc2cc(S(=O)(=O)N3C[C@@H](C(C)C)c4ccccc43)ccc21 683651736 VNRRWKBJFGWWNB-FQEVSTJZSA-N 398.528 3.934 0 40 GHAB O=C(Nc1cnc(Cl)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 1130036932 YAPNHIMEEWAWKF-SNVBAGLBSA-N 383.757 3.745 0 40 GHAB O=C(C1CC(F)(F)C1)N1CCc2sc(COCc3cccnc3)cc2C1 1565554423 ZKFITDIEYFAGLS-UHFFFAOYSA-N 378.444 3.790 0 40 GHAB CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C)n1cnnn1 1615155186 VJVHJJHLVXOHJM-IPELMVKDSA-N 395.511 3.555 0 40 GHAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1ccc(-c2ccco2)s1 1775969011 SBBMCJLMMZXNPX-ZDUSSCGKSA-N 397.905 3.982 0 40 GHAB COc1ccc2c(=O)n(CC3CCN(Cc4ccc(C)cc4)CC3)cnc2c1 1889253735 GBXXCORKXPZHNG-UHFFFAOYSA-N 377.488 3.626 0 40 GHAB CCOc1ccc(CN2CCC3(CC2)CC(=O)NCc2ccccc2N3)cc1 2037978451 WWGJUFPUAMZIFL-UHFFFAOYSA-N 379.504 3.552 0 40 GHAB COc1ccc([C@@H](CNC(=O)c2cnsn2)c2c[nH]c3ccccc23)cc1 47816269 MQVNQJDGGGOGSY-MRXNPFEDSA-N 378.457 3.590 0 40 GHAB O=C(CN1Cc2ccccc2C1)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 84582088 VSMWDEGTZMHMDL-UHFFFAOYSA-N 393.874 3.504 0 40 GHAB Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 55149378 HXLBJTPZTCMPMA-MSOLQXFVSA-N 378.428 3.853 0 40 GHAB C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 24929565 QQWCEPMSDVVAES-KILAXVPQSA-N 390.527 3.951 0 40 GHAB O=C(NCc1ccco1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 865850 ILCNYGXSBZLJBL-FZMZJTMJSA-N 380.326 3.659 0 40 GHAB CNC(=S)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 875362 DQLHCTYJBTXDSP-UHFFFAOYSA-N 383.492 3.791 0 40 GHAB O=C(NCCc1ccccc1)[C@@H]1CCCC[C@H]1C(=O)OCC(F)(F)C(F)F 1085156 FLEBOZRMEYFCKM-HUUCEWRRSA-N 389.389 3.595 0 40 GHAB O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1N1CCCCC1 1402553 VMYMRUORUNDDKN-UHFFFAOYSA-N 379.485 3.967 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1 12558110 IPIOODYYTGFAKD-INIZCTEOSA-N 387.911 3.806 0 40 GHAB COc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(F)c1 7219824 YVFWQORTVZMBQC-UHFFFAOYSA-N 382.357 3.816 0 40 GHAB CC(=O)c1ccc(OCCCC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1 12507375 SXQKZSUTMWLMNX-QFIPXVFZSA-N 391.471 3.688 0 40 GHAB CC(C)NC(=O)NCc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 8246722 XTQCRNZSBWORLR-UHFFFAOYSA-N 393.409 3.843 0 40 GHAB O=C(Nc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1)C1CC1 12561104 FBXMKBBRIHVUIR-UHFFFAOYSA-N 395.278 3.598 0 40 GHAB CCNC(=O)Nc1cccc(F)c1C(=O)NCCCO[C@H](C)c1ccccc1 58156180 RIQWCUBQTXORML-OAHLLOKOSA-N 387.455 3.865 0 40 GHAB O=C(Nc1ccccc1)C1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 58160622 LRVFCNCZNKTEIW-QFIPXVFZSA-N 391.515 3.701 0 40 GHAB C[C@H]1CN(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)C[C@H](C)O1 58158431 MAEHFUYLAHEPMT-KBPBESRZSA-N 377.460 3.986 0 40 GHAB O=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 10457725 DHQXFLGDLNMQCC-UHFFFAOYSA-N 392.908 3.696 0 40 GHAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)cc1 2219974 NEEPOJCHELVPCU-UHFFFAOYSA-N 392.864 3.952 0 40 GHAB COc1cc(C(=O)NCc2csc(-c3ccccc3)n2)cc(OC)c1OC 10893739 VYLIHDJDBSYSHM-UHFFFAOYSA-N 384.457 3.766 0 40 GHAB Cc1cc(NC(=O)CN(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)no1 11087961 RYIVBBNZOUVWDK-INIZCTEOSA-N 392.459 3.867 0 40 GHAB CC(=O)[C@@H]1CC(C(=O)Nc2ccc(N(C)C)c(Cl)c2)=NN1c1ccccc1 84671248 BVAXDPANAZMFEY-IBGZPJMESA-N 384.867 3.568 0 40 GHAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)n1c(=O)[nH]c2ccccc2c1=O 11867241 GWOWXVSSXZYGMS-HNNXBMFYSA-N 392.242 3.586 0 40 GHAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 11918213 NXHZFGJEWBTBOA-UHFFFAOYSA-N 386.492 3.951 0 40 GHAB O=C(COC(=O)c1cc(Br)ccc1Cl)NCCc1ccccc1 3246788 BLNCSTNIHAUULF-UHFFFAOYSA-N 396.668 3.618 0 40 GHAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)n1cc(Br)cn1 28224293 CUZRGECQFMONCO-MRVPVSSYSA-N 378.148 3.744 0 40 GHAB CC(=O)N[C@H](C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)C(C)C 12738156 MXHQJFXNHGHGQY-HNNXBMFYSA-N 399.438 3.852 0 40 GHAB Cc1cc(C)c(NC(=O)COC(=O)c2cc(O)c3ccccc3c2O)c(C)c1 3316238 VHMLBJUZDPMHAG-UHFFFAOYSA-N 379.412 3.972 0 40 GHAB Cc1cc(NC(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)no1 3364908 HNLWMYOLZUVYEX-UHFFFAOYSA-N 399.017 3.787 0 40 GHAB CCOC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 113881304 DNOOZZHWKSXULL-UHFFFAOYSA-N 381.881 3.715 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1sc(-n2cccc2)nc1C)CC3 96114419 IQUUIPPOMSCNAI-UHFFFAOYSA-N 392.484 3.931 0 40 GHAB biogenic Cc1nnsc1-c1nn2c(Cc3ccc(OC(F)(F)F)cc3)nnc2s1 49546820 BPSQPAJJXZRXDI-UHFFFAOYSA-N 398.395 3.502 0 40 GHAB Cc1cnc([C@H](C)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)o1 95458199 JTYLGRGAFTWYAT-STQMWFEESA-N 393.285 3.552 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1OCC 6422134 PNWDSBOMIBYLBL-UHFFFAOYSA-N 392.839 3.515 0 40 GHAB CCn1cnn(CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c1=S 14238722 WPTNKIXDXLDVAU-UHFFFAOYSA-N 390.900 3.759 0 40 GHAB COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OC(=O)c1ccccc1F 5689693 ZHKZZEDMLIXQIZ-FQEVSTJZSA-N 392.386 3.908 0 40 GHAB COc1ccccc1N(C(C)=O)c1nc(CSc2cccc[n+]2[O-])cs1 5779964 SLZYOBUZVBEKNQ-UHFFFAOYSA-N 387.486 3.762 0 40 GHAB Fc1ccc(-c2noc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 9591751 FEOLUDQMPMHOAL-QGZVFWFLSA-N 381.407 3.984 0 40 GHAB Cc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4)n3)c2C)c(C)c1 6914380 ZBUBJGLNWFNARZ-UHFFFAOYSA-N 390.472 3.963 0 40 GHAB CC[C@@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C 67209060 FZWWXOFQBBTJAF-CYBMUJFWSA-N 387.530 3.762 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)c1 7217294 XGWBKUUVINDOGX-UHFFFAOYSA-N 375.471 3.935 0 40 GHAB C[C@@H](OC(=O)CCC(=O)c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 7396060 WGOIAEWSMQDGQT-LRYXAPPNSA-N 383.488 3.666 0 40 GHAB CC(C)c1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2N2C(=O)CSC2=O)cc1 28284090 REOTXWRPBBFBFK-KQSNUMSTSA-N 386.517 3.946 0 40 GHAB CCN(CC)C(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1 8061728 QRFZGZUULRKSCP-UHFFFAOYSA-N 392.459 3.790 0 40 GHAB CCOC(=O)N1CCN(c2nc(C)nc3scc(-c4ccccc4)c23)CC1 8148055 AFFGEYDCWGQGCS-UHFFFAOYSA-N 382.489 3.945 0 40 GHAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3cccnc3)n2)cc1 8288831 XDUZEHUGXGAEJV-ZDUSSCGKSA-N 381.457 3.952 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1ccco1)N1CCCC1 8490528 YGKVXZIOBMGKEQ-IBGZPJMESA-N 378.476 3.649 0 40 GHAB CC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1nc(-c3ccsc3)no1)C2=O 8776186 UTDSVEDLKRMOIC-UHFFFAOYSA-N 388.493 3.825 0 40 GHAB C[C@@H]1CCN(C(=O)c2cccc[n+]2[O-])c2ccccc2N1C(=O)OC(C)(C)C 72303175 FVYSRBSJHBMFLT-OAHLLOKOSA-N 383.448 3.501 0 40 GHAB O=C(NCc1cc(-c2ccccc2)no1)[C@@H]1CCCN1c1ncnc2ccccc12 89851136 HEUXTHACTIAQAB-NRFANRHFSA-N 399.454 3.570 0 40 GHAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1 408583297 HBBKWAUJRQZTBL-UHFFFAOYSA-N 381.542 3.855 0 40 GHAB CCOC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)o2)c1 39767521 QCWUSJPNPLLEOW-UHFFFAOYSA-N 382.376 3.566 0 40 GHAB O=C(CC1(Cn2cccc2)CCCCC1)NCCc1nc(-c2ccccn2)no1 524735375 YPESXACTEVOJJC-UHFFFAOYSA-N 393.491 3.633 0 40 GHAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1 35170640 GCDXXISMOXMJOC-UHFFFAOYSA-N 377.462 3.796 0 40 GHAB CCOc1ccc(CCCNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 219230953 PXHXZQBLWUWMOW-UHFFFAOYSA-N 380.488 3.570 0 40 GHAB COc1ccccc1-c1cccc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72348768 UIIISGVLNCDFRF-GOSISDBHSA-N 379.504 3.559 0 40 GHAB O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349905 VSTYGAVUSKDCKE-KRWDZBQOSA-N 377.419 3.596 0 40 GHAB O=C(NCc1cccnc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849963 QKMHSQUGNYARBX-MRXNPFEDSA-N 378.303 3.917 0 40 GHAB O=C(N[C@H]1CCc2cccc3cccc1c23)N[C@@H](CO)Cc1ccc(F)cc1 1565383025 HCOOFJHFSRFFEF-CTNGQTDRSA-N 378.447 3.869 0 40 GHAB COc1ccc(CCNc2ncc(-c3cc(C)no3)c(C3CC3)n2)cc1OC 72340338 OGPKEUWKZZKQJZ-UHFFFAOYSA-N 380.448 3.989 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3cc(C)[nH]c3C)C2)n1 72334730 PDIXPPBFPGYMLU-SFHVURJKSA-N 375.476 3.812 0 40 GHAB Cn1c(Cn2cnc3c(-c4ccc(F)cc4)nsc3c2=O)nc2ccccc21 72347171 GHHMHSKWJRRPPP-UHFFFAOYSA-N 391.431 3.594 0 40 GHAB Cc1nc(NC(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)ccc1-c1ccccc1 564417553 DLAUVFBTJVNIDN-YLJYHZDGSA-N 391.475 3.832 0 40 GHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 223025844 GACSZEHPYNKELP-WOJBJXKFSA-N 379.485 3.961 0 40 GHAB CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1ccccc1F)S(C)(=O)=O 220595324 RZDVPSROBODQKS-QGZVFWFLSA-N 392.496 3.880 0 40 GHAB Cc1ccc(OCCNC(=O)COc2ccc(Br)cc2)cc1Cl 224154405 MAKGLHXFSWFNEO-UHFFFAOYSA-N 398.684 3.985 0 40 GHAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@@H]1CCc3cnn(C(C)C)c3C1)C2 574853676 ZWRCHLJNUUUHJH-GOSISDBHSA-N 394.519 3.587 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 222622260 FBJFRBODBYQBRW-INIZCTEOSA-N 388.508 3.612 0 40 GHAB Cc1ccccc1CS(=O)(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 223639618 JHWPFXNUBFVAIL-UHFFFAOYSA-N 391.880 3.660 0 40 GHAB CCOc1ccc(CCCNS(=O)(=O)c2ccc(OC)c(C)c2C)cc1 224735988 ZTSOOLHYDQAPSL-UHFFFAOYSA-N 377.506 3.622 0 40 GHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)cc1 224977219 GDFAVZQFKKIDOX-UHFFFAOYSA-N 379.503 3.800 0 40 GHAB COc1ccc(NC(=S)NCc2nc(-c3ccc(C)cc3)no2)c(OC)c1 225816124 INOVDJLXIUYRPJ-UHFFFAOYSA-N 384.461 3.549 0 40 GHAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)Nc3cc(F)ccc3F)ccc21 96183046 ZMROKUHEAYHGBD-UHFFFAOYSA-N 394.443 3.800 0 40 GHAB COc1ccc(-c2nc(N3CCCCCC3)sc2CC(=O)O)cc1OC 95097193 OHPNIKARYNHIGQ-UHFFFAOYSA-N 376.478 3.835 0 40 GHAB CN1C(=O)[C@@H]2C[C@@H](CN2Cc2ccc(C(F)(F)F)cc2)Oc2ccccc21 96111927 QIZVUDTXAWHOMI-RDJZCZTQSA-N 376.378 3.704 0 40 GHAB biogenic,in-vitro CC(=O)Nc1cc(CCC2CCN(Cc3ccc4nccnc4c3)CC2)ccn1 257265619 LZMGLRDQFMGZRW-UHFFFAOYSA-N 389.503 3.828 0 40 GHAB O=C(COc1ccsc1Cl)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 585081185 LXDCQWJGYKMRBQ-AWEZNQCLSA-N 390.892 3.732 0 40 GHAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1ccccc1Br 253473629 WVBUTFLTXINRSA-QGZVFWFLSA-N 392.274 3.770 0 40 GHAB COc1ccc(NC(=O)c2ccnc(OCC3CCOCC3)c2)cc1Cl 253472656 ODPNISQYIHWNGU-UHFFFAOYSA-N 376.840 3.801 0 40 GHAB Cc1nnc(CN2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)s1 538003009 UUWOEXOKPVCHCH-UHFFFAOYSA-N 398.507 3.887 0 40 GHAB Cc1ccc([C@@H](N[C@H]2CCCn3ccnc32)c2cccc(S(C)(=O)=O)c2)cc1 655719886 ZWOFXDIBTINOBD-LEWJYISDSA-N 395.528 3.809 0 40 GHAB COc1cc(CNC(=O)N2CCC23CCOCC3)ccc1OCc1ccccc1 683412462 FTWPBPBHMGFQLY-UHFFFAOYSA-N 396.487 3.739 0 40 GHAB O=C(NC[C@@]1(O)CCc2ccccc2C1)NC(c1ccccc1)c1ccccc1 90611616 GRQKGQNRYQVKJU-RUZDIDTESA-N 386.495 3.995 0 40 GHAB CC(C)CNC(=O)[C@@H](C)S(=O)(=O)Cc1ccccc1Oc1ccccc1 45347277 LVZYKBINQKJCKZ-MRXNPFEDSA-N 375.490 3.554 0 40 GHAB Cn1nc2c(c1CN1CCC[C@@H](COc3ncccc3C(F)(F)F)C1)CCC2 1776000788 KJGVHNKWVFBQKL-CQSZACIVSA-N 394.441 3.614 0 40 GHAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@@H]1CCOc2ccccc21 56441478 PAMAIDFADOGBGN-HXUWFJFHSA-N 383.467 3.613 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2sc(C)c(C)c2C(=O)OC)c1C 60392228 SCASSJXUJCGUSK-UHFFFAOYSA-N 378.450 3.525 0 40 GHAB CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc2cc(C(F)(F)F)ccc2n1C 585084028 XGLHGSIXIGWKMG-AWEZNQCLSA-N 397.397 3.548 0 40 GHAB CCC(=O)N1CC[C@H]2CC(=O)Nc3cc(C(F)(F)F)ccc3OCC[C@H]2C1 1534646203 DKSXSPLXDPAUES-STQMWFEESA-N 384.398 3.691 0 40 GHAB Cc1cc(C(F)(F)F)nc(SCCNC(=O)/C=C/c2ccc(F)cc2)n1 5023461 UFJGMWQIYKVQJS-QPJJXVBHSA-N 385.386 3.865 0 40 GHAB C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)N1[C@H](C)CCC[C@H]1C 5014964 IQTVHGMEQYHENY-JHJVBQTASA-N 379.917 3.586 0 40 GHAB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 5093733 SHNJNRDSCMXGBF-IBGZPJMESA-N 391.471 3.771 0 40 GHAB COc1cc(CN(C)[C@H](C)C(=O)N2CCc3ccccc32)ccc1OC(F)F 5118860 HTVKEVYFMQBVQC-CQSZACIVSA-N 390.430 3.706 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)c2ccc(OCC)c(OCC)c2)cc1 5739711 RCDRMSKUHTVXBA-UHFFFAOYSA-N 387.432 3.678 0 40 GHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)NCc1ccc(OC(F)F)cc1 11514943 YCWUFQNSFXODOY-UHFFFAOYSA-N 396.444 3.587 0 40 GHAB CSc1ccccc1NC(=O)C[C@@H]1CSc2nc(C(C)C)cc(=O)n21 11613571 ZSISXJXMVZNRER-GFCCVEGCSA-N 375.519 3.764 0 40 GHAB COc1cc(C)c(CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)cc1OC 12187419 JTGGPNLDNYQYNO-LJQANCHMSA-N 399.487 3.922 0 40 GHAB Cc1oc(-c2ccccc2)nc1Cc1nc2sc(C(=O)O)c(C)c2c(=O)[nH]1 12788409 YRRWNESWFFWSNW-UHFFFAOYSA-N 381.413 3.545 0 40 GHAB COc1ccc(CCNC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)cc1OC 15739110 QWBRPOWVWXEGFM-DHZHZOJOSA-N 399.487 3.872 0 40 GHAB Cc1ccc([C@H](C)C(=O)N2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cc1 19136130 GWIBRNVPNKFWLL-UWJYYQICSA-N 378.520 3.630 0 40 GHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1ccccn1 19712866 VJWVNRVHFLSKBN-MZYLBHOOSA-N 391.515 3.699 0 40 GHAB CCc1cc(C(=O)NCCc2nc3cc(C)c(C)cc3[nH]2)c2c(C)noc2n1 19714523 TXQBOEKJWWCRCU-UHFFFAOYSA-N 377.448 3.559 0 40 GHAB O=C(Nc1cccc(-n2cccn2)c1)c1cnn2c(C(F)F)cc(C3CC3)nc12 19715341 NPQRACSYRSAVDB-UHFFFAOYSA-N 394.385 3.982 0 40 GHAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 8477324 AEWPYGYQERDYQS-FOWTUZBSSA-N 382.441 3.835 0 40 GHAB CC(=O)N1CCC2(CCCCc3ccccc3OCCCC(=O)N(C)C2)CC1 643565246 VNSOIMOREJFQCH-UHFFFAOYSA-N 386.536 3.659 0 40 GHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2cnn(C(C)C)c2)n1 19286809 ZTKOEFBVZKXQIM-FQEVSTJZSA-N 390.491 3.992 0 40 GHAB CC1(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)CCCCC1 2037839891 DHTBSNDLTJPQFC-UHFFFAOYSA-N 388.483 3.521 0 40 GHAB COc1cc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)cc(OC)c1OC 1862038 VLLDDPRJCDKLOP-UHFFFAOYSA-N 398.459 3.965 0 40 GHAB O=C(COc1ccccc1)Nc1nnc(SCc2cccc(F)c2)s1 4078278 LTAOLWCXMKTGLY-UHFFFAOYSA-N 375.450 3.987 0 40 GHAB Cc1ccc(-n2nc3c(c2NC(=O)c2cc(C)cc(C)c2)C[S@@](=O)C3)cc1 4224529 PHQOGYLMWLCIRU-MHZLTWQESA-N 379.485 3.812 0 40 GHAB Cc1ccc2nc(NC(=O)N[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)sc2c1 4374210 CBODUNQESDZGFP-CYBMUJFWSA-N 384.436 3.671 0 40 GHAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)c1ccc(Cl)c(Cl)c1 22765810 XDOAUJBKJBKGQM-MRXNPFEDSA-N 385.316 3.858 0 40 GHAB O=c1ccc(-c2ccccc2F)nn1Cc1nc(-c2ccccc2Cl)no1 23126677 FQHGFMPLFLRSRO-UHFFFAOYSA-N 382.782 3.801 0 40 GHAB Cc1ccc(CN2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC2=O)cc1 28878001 YZSAIOVNGNXCSB-KRWDZBQOSA-N 390.405 3.679 0 40 GHAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cn1 40073463 FAKDPPLFOOEMBQ-HNNXBMFYSA-N 394.258 3.640 0 40 GHAB COc1ccccc1[C@H](C)N(C)C[C@H](O)COc1ccc(Br)cc1 40086146 OPSPEHSVYNPRMJ-HOCLYGCPSA-N 394.309 3.890 0 40 GHAB O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCN(C(=O)c2ccoc2)C1 40059804 QBFAULTWSQFIPY-ZDUSSCGKSA-N 381.259 3.755 0 40 GHAB Cc1noc2nc(-c3cccs3)cc(C(=O)NCCc3ccc(O)cc3)c12 40156140 WISQKZHAUDWJIQ-UHFFFAOYSA-N 379.441 3.938 0 40 GHAB O=C(O)C1CCN([C@@H]2C(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)CC1 20102537 ZZCBMVDTMVTKTJ-OALUTQOASA-N 384.863 3.589 0 40 GHAB O=C1CC(=O)[C@@H](n2cncn2)[C@@H](c2ccccc2Oc2cccc(Cl)c2)C1 100325457 XDHIDACLRRTDAK-XLIONFOSSA-N 381.819 3.981 0 40 GHAB CC(C)n1ncc2cc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)cnc21 32865798 AWZWQCNRRBQEAO-UHFFFAOYSA-N 399.882 3.755 0 40 GHAB CC[C@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(C)cc1 32889807 NKRAGLXFDJCWCO-QFIPXVFZSA-N 381.520 3.778 0 40 GHAB COc1ccc(CCS(=O)(=O)Cc2ccc(OC)c(Br)c2)cc1 32854118 ZORDIBWHBHTLMA-UHFFFAOYSA-N 399.306 3.624 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 32975559 CNVUAMDWACBPKZ-UHFFFAOYSA-N 379.481 3.933 0 40 GHAB CCN1CCc2nc(NC(=O)Cc3nc(-c4ccccc4)oc3C)sc2C1 32900019 IZAYZQDEIGDRPK-UHFFFAOYSA-N 382.489 3.666 0 40 GHAB COc1cc(CCNC(=O)CCC(=O)c2ccc(C)s2)ccc1OC(F)F 21933701 BZEYTDCPYNFVQJ-UHFFFAOYSA-N 397.443 3.988 0 40 GHAB CCCN1C(=O)[C@](O)(CC(=O)c2ccc(Br)cc2)c2ccccc21 684653 RYQZLXCJCBXVPM-IBGZPJMESA-N 388.261 3.666 0 40 GHAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 921651 YIXOTXAPNRXEQT-VGOFRKELSA-N 398.462 3.771 0 40 GHAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(-c3ccccc3Cl)cs1)CS2 23681586 KFVPIBQIOPWUEY-DYVFJYSZSA-N 393.921 3.856 0 40 GHAB Cc1nc(CSc2ccccc2C(=O)NCc2nnc3ccccn23)cs1 23692860 DIAHYXCEDSCQHI-UHFFFAOYSA-N 395.513 3.717 0 40 GHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1 835047 FGNONTZAVWDWAA-UHFFFAOYSA-N 394.496 3.583 0 40 GHAB CCOC(=O)C1=C(NC(=O)c2cc3ccccc3oc2=O)S[C@H]2CCCC[C@@H]12 887342 FZUKDOCYMSNRLM-CJNGLKHVSA-N 399.468 3.603 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)NCCc1c(C)[nH]c2c(C)cccc12 1074497 DCUWMYZHCMHVBM-UHFFFAOYSA-N 392.908 3.968 0 40 GHAB CN1CCN(c2nc(-c3ccccc3)c3cc(Br)ccc3n2)CC1 1303804 CDASWJHMFAENBJ-UHFFFAOYSA-N 383.293 3.811 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2N)n1C 1364480 OUFUITMWGJVOMA-UHFFFAOYSA-N 387.896 3.757 0 40 GHAB O=C(CS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccccc1Cl 1402816 JJMLDLFOVYEWCU-UHFFFAOYSA-N 377.771 3.771 0 40 GHAB CC[C@H](C)NC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 2369242 CXJHBSQHVKVJMT-ZDUSSCGKSA-N 389.459 3.693 0 40 GHAB COCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccccc1)N2 2417316 GQPDLYCUZZTYMN-IAGOWNOFSA-N 397.866 3.663 0 40 GHAB O=C(O)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 2502576 HQWXHTVTKRGTHQ-HXUWFJFHSA-N 394.452 3.700 0 40 GHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc(Cl)cn1 2641444 IOPZGZAIDGJLNO-UHFFFAOYSA-N 385.880 3.924 0 40 GHAB O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 2751728 LVMMWINDSUPFSA-UHFFFAOYSA-N 377.271 3.982 0 40 GHAB CCN(CC)c1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1 3312985 YEVKYOSBDGBFHJ-UHFFFAOYSA-N 388.489 3.739 0 40 GHAB CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(OC(F)F)cc1 3367687 AYAQZBNFGXAOBL-UHFFFAOYSA-N 380.416 3.721 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@H](CC(C)C)NC(=O)C2CCCCC2)c1 3895769 OZWSNYMKAQVKCR-SFHVURJKSA-N 376.497 3.754 0 40 GHAB COc1ccc(OC)c(-c2c(C)c3cc(OC(=O)N(C)C)ccc3oc2=O)c1 4088986 NKRFGJCZGCOUSW-UHFFFAOYSA-N 383.400 3.846 0 40 GHAB biogenic Cc1nnc(CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)o1 4269111 CZERGJPQOAAXCG-UHFFFAOYSA-N 393.428 3.647 0 40 GHAB COc1ccc(/C=C/c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 4384030 WYOYVJUGHNRAEW-DHZHZOJOSA-N 388.456 3.763 0 40 GHAB Cn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(F)cc1 4736207 OSVIZVLUNGZXAW-UHFFFAOYSA-N 399.476 3.962 0 40 GHAB O=C(COC(=O)c1cc2c(s1)CCCCC2)NC(=O)Nc1ccccc1F 4767774 QAYWHYCQPNUOSY-UHFFFAOYSA-N 390.436 3.661 0 40 GHAB Cc1nn(C(C)(C)C)c(OC(=O)c2ccccc2)c1S(=O)(=O)c1ccccc1 4907458 JOIOPLOTQKYFGD-UHFFFAOYSA-N 398.484 3.999 0 40 GHAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N(c1ccccc1)C(C)C 4916934 DAYDFSHTQJQPAN-UHFFFAOYSA-N 376.840 3.529 0 40 GHAB Cc1occc1-c1nnc(SCC(=O)N(Cc2ccccc2)C(C)C)n1C 4947769 BPCYASZAQZSSRV-UHFFFAOYSA-N 384.505 3.913 0 40 GHAB CCOc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 4998138 NPXYACAXBQWHFK-ZDUSSCGKSA-N 397.431 3.644 0 40 GHAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCc3ccncc3)ccc12 5206026 HBTUGHPKAQDVHR-UHFFFAOYSA-N 380.444 3.534 0 40 GHAB CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)NCC(C)C)n3C)cc2C1 5776295 PXLLNSUEXHHLMW-CYBMUJFWSA-N 392.594 3.923 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc2n1CCCCC2 6098028 GQMRQPCLKWFAAW-UHFFFAOYSA-N 396.520 3.538 0 40 GHAB O=c1cc(CSc2ncnc3sc4c(c23)CCCC4)nc2sccn12 6111815 VIMPTPAJWIXMGM-UHFFFAOYSA-N 386.527 3.932 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)C1CCCCC1 6453798 OSOWMFJGXZSBPT-UHFFFAOYSA-N 379.309 3.526 0 40 GHAB CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccc(Cl)cc1 6507377 KWQXIXUSPWAZBW-UHFFFAOYSA-N 382.869 3.749 0 40 GHAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 6533153 BQTMAANSUSSDOL-HNNXBMFYSA-N 399.516 3.601 0 40 GHAB COc1ccc(OCc2nnc(SCCOc3ccc(F)cc3)n2C)cc1 7236143 UIRFGYLRHYSTFP-UHFFFAOYSA-N 389.452 3.713 0 40 GHAB Cc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)cc1 7701491 ZUFWBJRPMSCRNK-UHFFFAOYSA-N 383.473 3.613 0 40 GHAB C[C@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 7829734 BFGJKLVUXUIEPR-NSHDSACASA-N 382.407 3.643 0 40 GHAB Cc1cccc(C)c1NC(=O)CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2 7988346 JDLSLOMMBALSBP-UHFFFAOYSA-N 392.499 3.900 0 40 GHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 8105405 ZLLPJKYOOZFUMR-UHFFFAOYSA-N 389.351 3.701 0 40 GHAB COC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2onc(-c3ccco3)c12 8342529 SQQWCAJOECIQDD-UHFFFAOYSA-N 380.356 3.954 0 40 GHAB CCCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(Br)cc2)n1 8476427 SPSATCVPPZOCGC-UHFFFAOYSA-N 385.265 3.837 0 40 GHAB Cc1ccccc1CN1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 9062909 FJRQFGYYXDIGKG-UHFFFAOYSA-N 395.522 3.695 0 40 GHAB CCN(CC)c1ccc(N/C(C)=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 9111362 HVOJJQNHXQWIGI-XDJHFCHBSA-N 392.459 3.502 0 40 GHAB CCC(=O)N(c1nnc(SCc2nc(-c3ccccc3)no2)s1)C1CC1 9577905 BFHCZXNNSSELNN-UHFFFAOYSA-N 387.490 3.786 0 40 GHAB CCOc1ccc(C(=O)N2CCC(c3nc(C)ncc3-c3ccncc3)CC2)o1 12117260 YFPOYVZEFYAKSI-UHFFFAOYSA-N 392.459 3.859 0 40 GHAB O=C(CCC1CCCC1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 12181912 GTUGDCRLQSFCFA-HRCADAONSA-N 399.461 3.775 0 40 GHAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3N3CCCC3)CC2=O)c1C 12527094 FCELZGMRJQAGOT-SFHVURJKSA-N 377.488 3.895 0 40 GHAB COc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1Cc1ccccc1 12762578 HHCRAPLDQOEYBR-UHFFFAOYSA-N 395.480 3.942 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 12764747 HNCBIMKHTLGFIU-KRWDZBQOSA-N 380.444 3.782 0 40 GHAB C[C@@H](NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)c1ccc(Br)cc1 12815958 WYLGQZFYQWXMHT-CWTRNNRKSA-N 388.261 3.798 0 40 GHAB C[C@H]1Oc2ccccc2N(CC(=O)N(Cc2ccco2)c2ccccc2)C1=O 12855738 YOWNBRCEZGVZHQ-MRXNPFEDSA-N 376.412 3.627 0 40 GHAB CCOc1cc2c(cc1CNC(=O)c1ccccc1OC(F)F)O[C@@H](C)C2 12915641 QUQBHQKKYGNNOD-LBPRGKRZSA-N 377.387 3.940 0 40 GHAB O=C(CCN1CCN(c2ccccn2)CC1)Nc1c(Cl)cccc1Cl 12921852 HOVOXAVLVCQRSJ-UHFFFAOYSA-N 379.291 3.539 0 40 GHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2c(c1)NC(=O)CS2 12983601 IOZHBZTWEZPBBZ-UHFFFAOYSA-N 397.500 3.530 0 40 GHAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1c(F)cccc1F 13056373 ZKJQKGXWYWGJSR-UHFFFAOYSA-N 399.363 3.744 0 40 GHAB C[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccc(Cl)c(Cl)c1 14112453 FDIUYFPBLCRCJH-NSHDSACASA-N 378.259 3.524 0 40 GHAB CCOC(=O)c1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 14239625 CSQMQKPTFKIQOF-FQEVSTJZSA-N 378.428 3.766 0 40 GHAB CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 15301181 FVXBVWKKYHWXLL-FQEVSTJZSA-N 398.478 3.783 0 40 GHAB Cc1ccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 15734145 MCUWIUCNDBAFND-UHFFFAOYSA-N 383.473 3.864 0 40 GHAB CC(=O)c1ccc(N2CCN(C(=O)CCn3ccc4ccccc43)CC2)c(F)c1 16111309 FAJNIPCJFDAPFX-UHFFFAOYSA-N 393.462 3.722 0 40 GHAB CCOC(=O)c1sc2nc(CN(C)Cc3ccc(C)cc3C)[nH]c(=O)c2c1C 17290231 ONBKDEYXHIPLCA-UHFFFAOYSA-N 399.516 3.719 0 40 GHAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)c3cccc(F)c3)C2)on1 19122132 PHWRFBUTBFOADY-INIZCTEOSA-N 380.423 3.907 0 40 GHAB Fc1ccc(C(c2ccc(F)cc2)N2CCN(C(=S)NC3CC3)CC2)cc1 19312271 WZPXPYGNZAARNM-UHFFFAOYSA-N 387.499 3.709 0 40 GHAB CCOc1ccc(CN2CCc3nc([C@@H]4CCCCN4C(C)=O)ncc3C2)cc1 19533356 YPOFWQWJKRSHAU-QFIPXVFZSA-N 394.519 3.507 0 40 GHAB Cc1nccn1Cc1ccccc1NC(=O)[C@]1(C)CC(c2ccccc2F)=NO1 19660931 IHPFEDRFHBRFIR-QFIPXVFZSA-N 392.434 3.901 0 40 GHAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 19693514 VBDBKXRUDXVRKD-JOCHJYFZSA-N 392.507 3.506 0 40 GHAB COc1ccc(Cl)c2c(=O)c(CN3CCN(c4ccccc4)CC3)c(C)[nH]c12 19793518 FGLMKWNRKPJXFE-UHFFFAOYSA-N 397.906 3.821 0 40 GHAB CC1=NC2=NC(NCCc3c[nH]c4ccccc34)=N[C@H](c3ccccc3)N2C(O)=C1 20028282 BZWSGVVAUMSMDL-NRFANRHFSA-N 398.470 3.900 0 40 GHAB COc1cccc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)c1 20768134 IPHSYNOVAUNWBW-UHFFFAOYSA-N 391.452 3.992 0 40 GHAB Cc1noc(C)c1CSCC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 23102885 SGEHWNCYSIPVKE-GFCCVEGCSA-N 387.505 3.751 0 40 GHAB O=C(c1ccc2c(c1)CCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23559532 HYJPNMGDHCSVIO-UHFFFAOYSA-N 375.394 3.552 0 40 GHAB CNC(=O)C1CCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 24781984 XTOQTZJNVNXADS-OAQYLSRUSA-N 375.472 3.550 0 40 GHAB COc1ccc(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1OC 25839630 QEJRSOJPRAFTKH-UHFFFAOYSA-N 379.460 3.529 0 40 GHAB COCc1c(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)oc2ccccc12 25918771 JECLSCHMMBMJDX-OAHLLOKOSA-N 390.443 3.993 0 40 GHAB C[C@H](NC(=O)[C@@H](C)Sc1nc2ncccn2n1)c1cccc2ccccc12 28513680 PPVYLLUMFJIFAD-UONOGXRCSA-N 377.473 3.636 0 40 GHAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccc(F)cc2)CC1 29316708 BHGGSABGEFKFJW-UHFFFAOYSA-N 395.261 3.660 0 40 GHAB O=C(N[C@H]1CCOc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 32722151 OHWUSNVKTSUHGD-APWZRJJASA-N 398.890 3.832 0 40 GHAB COc1cccc(-c2noc(COC(=O)c3ccc4nc(C)c(C)nc4c3)n2)c1 32741756 IGCDLVCIYSKBAB-UHFFFAOYSA-N 390.399 3.662 0 40 GHAB Cc1cccc(C(=O)N[C@@H](C(=O)Nc2nc(-c3ccc[nH]3)cs2)C(C)C)c1 32747599 DVJGJYMOFKUHEM-QGZVFWFLSA-N 382.489 3.840 0 40 GHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C1=Cc2cc(Cl)ccc2OC1 32823566 RDLWAFUHOSIIRI-UHFFFAOYSA-N 397.906 3.815 0 40 GHAB O=C(NCc1ccco1)c1ccccc1OCc1nc(-c2ccccc2)no1 33012833 PVOYLHSIAMKYRQ-UHFFFAOYSA-N 375.384 3.839 0 40 GHAB Cc1ccc(NC(=O)Cn2ccc(C(=O)Nc3ccc(C)c(F)c3)n2)cc1F 36617860 RYIYOKSBCNYVHV-UHFFFAOYSA-N 384.386 3.669 0 40 GHAB C/C(=C/C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccccc2)cc1)C(=O)O 37018951 JIVPARBYTWXEMI-DINCDJDBSA-N 384.457 3.775 0 40 GHAB CN(C)C(=O)c1cccc(NC(=O)N(C)Cc2ccc(Br)cc2)c1 40104518 BVUKISBZKXCSGR-UHFFFAOYSA-N 390.281 3.815 0 40 GHAB Cc1nc(CSc2nnc(NC(=O)c3cc(C4CC4)on3)s2)cs1 42379344 VZRLHVGQCVXFTH-UHFFFAOYSA-N 379.492 3.713 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Br)s1 45869054 URHPPHYNAFCCCW-UHFFFAOYSA-N 379.279 3.999 0 40 GHAB C[C@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 45900294 NWERTUIVHBWPDT-NSHDSACASA-N 386.395 3.568 0 40 GHAB COc1ccc2nc(C)c(C(=O)Nc3nnc(-c4ccccn4)s3)cc2c1 46756366 XTNYXVCPWBZBDO-UHFFFAOYSA-N 377.429 3.718 0 40 GHAB CC[C@@H](NC(=O)CSCc1c(C)noc1C)c1ccc2c(c1)OCCO2 55963755 WWYOAJRJEWVESW-MRXNPFEDSA-N 376.478 3.563 0 40 GHAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)C(C)(C)C)c1 56272514 GOJTYLFUAHDVLC-LJQANCHMSA-N 396.487 3.575 0 40 GHAB Cc1cc(C)c(/C=C/C(=O)Nc2nc(C)c(SCC(N)=O)s2)cc1C 56716958 VADADDJSPUGUJP-AATRIKPKSA-N 375.519 3.606 0 40 GHAB O=C(c1ccc(F)c(C(F)(F)F)c1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 68332510 NFLSUAYHZIHYDL-STQMWFEESA-N 377.403 3.971 0 40 GHAB Cc1cc(=O)oc2cc(OCCN3CCN(c4cccc(Cl)c4)CC3)ccc12 68752437 JHWVDJLAMREBHS-UHFFFAOYSA-N 398.890 3.956 0 40 GHAB CCS(=O)(=O)N1CCc2cc(-c3csc(N4CCC(C)CC4)n3)ccc21 71971807 LQVJLNSDMMWBJC-UHFFFAOYSA-N 391.562 3.759 0 40 GHAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(F)cc1F 71980531 AEEDVLPAIPQWLG-WCKOCXJASA-N 381.419 3.823 0 40 GHAB COc1cccc(CCC(=O)N2CCc3c(CN4CCCC4)cccc32)c1OC 72306401 MBAOKPSKBLMICJ-UHFFFAOYSA-N 394.515 3.822 0 40 GHAB O=C1N[C@@]2(COC3(CCN(Cc4ccccc4)CC3)C2)Nc2ccc(Cl)cc21 72325566 MNRDFDYZSICUPX-QFIPXVFZSA-N 397.906 3.647 0 40 GHAB CN(C)C(=O)CN1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357963 NEPJQTCXBJADBS-IBGZPJMESA-N 391.437 3.916 0 40 GHAB COc1cccc2c1ccn2CCC(=O)NCCCc1nc2ccccc2[nH]1 79479881 CIBRYAPVLUHRJL-UHFFFAOYSA-N 376.460 3.665 0 40 GHAB CS(=O)(=O)Cc1cccc(C(=O)N2CCCC[C@H]2CCc2ccccc2)c1 89484376 KDWKPOWZEQZITL-NRFANRHFSA-N 385.529 3.859 0 40 GHAB C[C@@H](Cc1noc(-c2ccc3nsnc3c2)n1)N(C)C(=O)OC(C)(C)C 96003513 KSKSYDZLGKKFGD-JTQLQIEISA-N 375.454 3.539 0 40 GHAB COc1ccc([C@@H]2CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c32)cc1O 96118110 GETQXOWDMNIYAX-HNNXBMFYSA-N 386.411 3.609 0 40 GHAB O=C(Cc1cccs1)N1CC[C@]2(CCCN(CCOc3ccccc3)C2)C1 96216377 KDUPGDWMGJYEEE-QFIPXVFZSA-N 384.545 3.684 0 40 GHAB CC1(C)[C@@H](OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)[C@]2(C)CC[C@@H]1C2 100831765 VNMRXZNXEDNUMN-XMXZMMKCSA-N 390.543 3.540 0 40 GHAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)C1 105691688 WYDWXCJGDBTDEX-BPSNYSSFSA-N 384.476 3.752 0 40 GHAB CCOC[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218515630 KFKQMMJQLBWYJP-AABGKKOBSA-N 393.936 3.570 0 40 GHAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)n2)cc1 219304008 IQXVDCORTNFIQS-MRXNPFEDSA-N 395.459 3.754 0 40 GHAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccncc2)S1 222602182 UAQUQCMOTDNAQC-BEVDRBHNSA-N 375.501 3.916 0 40 GHAB COc1ccc(CC(=O)N2CCc3cc(Br)ccc32)cc1OC 222938911 JAJJXOGTJDWGMR-UHFFFAOYSA-N 376.250 3.598 0 40 GHAB O=S(=O)(NCc1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 223727940 HISVQNJOULUVGJ-UHFFFAOYSA-N 397.452 3.729 0 40 GHAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223965469 ARMABDOYHZUBGT-LPMFXHHGSA-N 388.464 3.545 0 40 GHAB COC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 224709329 ZDOAZLZLUZEMSW-UHFFFAOYSA-N 388.272 3.670 0 40 GHAB COc1cc(C)c(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1C(C)C 224756807 PHOXWRAYBZABLI-UHFFFAOYSA-N 396.531 3.889 0 40 GHAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NC[C@H]1COc2ccccc2O1 225280014 RWVLVUPRHWOOCF-RDJZCZTQSA-N 375.852 3.762 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3ccc(C)cc3)ccc21 225728998 XJFBAZLGSDGQTI-AWEZNQCLSA-N 390.530 3.821 0 40 GHAB CCOC(=O)c1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)c(C)c1 225730093 AXJDMNZIWBKERS-IYBDPMFKSA-N 391.581 3.826 0 40 GHAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)COc3ccccc3C)ccc2c1 225820139 HIOHIPQFBHIFFS-INIZCTEOSA-N 385.485 3.903 0 40 GHAB COc1ccc(-c2noc(CCC(=O)N3c4ccccc4C[C@H]3C)n2)cc1OC 225826756 MGFLMWAVSQRRHN-CQSZACIVSA-N 393.443 3.664 0 40 GHAB C[C@@H]1C(c2ccc(F)cc2)=NO[C@@H]1C(=O)N[C@H](c1ccccc1)c1cccnc1 247947830 IYYDYLUMERKHEI-RTOPAQNCSA-N 389.430 3.866 0 40 GHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@H]2C[C@H]2C)C1 253590676 DJIXBWOOIWQXMQ-CGYQNGNCSA-N 396.556 3.968 0 40 GHAB O=C(NC[C@H]1CC[C@H]([C@@H](NC(=O)C2CC2)c2nccs2)CC1)c1ccccc1 257255869 KJFIQCWGJSHXAD-GPMSIDNRSA-N 397.544 3.947 0 40 GHAB COc1ccccc1CC(=O)NC[C@H]1CC[C@H]([C@H](c2ccccn2)N(C)C)CC1 257330257 XNPUCJFAWGCFNP-KHCICDEESA-N 395.547 3.858 0 40 GHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CCC(=O)O)N1c1ccc(C(F)(F)F)cc1 257334760 YHGVJXKBYGZBJN-HOTGVXAUSA-N 398.425 3.919 0 40 GHAB CCc1ccc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccn2)cc1 306138314 RUTOLGOODDLMPX-DHIUTWEWSA-N 386.499 3.527 0 40 GHAB O=C1N/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccc(F)cc1 409011606 NVQATIFTWVADHP-OQLLNIDSSA-N 375.197 3.681 0 40 GHAB O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@H]1CC12CCCC2 531092818 HDSJFSPMBYNPCS-CQSZACIVSA-N 375.270 3.608 0 40 GHAB C[C@@H](c1ccc(F)c(F)c1)c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1 545008546 SUOXVVHELSLIIE-JTQLQIEISA-N 379.388 3.538 0 40 GHAB CN1CC[C@H](N(C)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)C1=O 552964907 BHGNXSFHCWUMEQ-FQEVSTJZSA-N 393.462 3.596 0 40 GHAB O=C(c1c(F)cccc1F)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575414523 AASRCZBXQPGUMX-INIZCTEOSA-N 399.846 3.620 0 40 GHAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)c2cncc(Br)c2)C1 575618903 XJJBLYARKSGBQT-HNNXBMFYSA-N 385.265 3.589 0 40 GHAB O=C1CC[C@]2(CCCN(c3ncc4sccc4n3)CC2)N1Cc1cncs1 585100784 WPLKRBHLBMTNRT-IBGZPJMESA-N 399.545 3.700 0 40 GHAB COC(=O)c1sc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)cc1C 609966725 TZEUAQCLMDCKPW-UHFFFAOYSA-N 399.447 3.909 0 40 GHAB O=C(c1ccc(Cn2cncn2)cc1)N1CC2(CCCC2)c2c(F)cccc21 623618666 DDBAJCTZZWPFKH-UHFFFAOYSA-N 376.435 3.938 0 40 GHAB CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cc(-c3cccnc3)ccc2C)C1 626547470 HNRHSMWXQDEHNK-JAXLGGSGSA-N 394.519 3.820 0 40 GHAB C[C@@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)N3CCCC4(CC3)CC4)c2)C1=O 626570050 HGDBSWMUYASRNH-NRFANRHFSA-N 396.491 3.710 0 40 GHAB O=C(NCc1nc(-c2ccccn2)n[nH]1)C1(c2cccc(Cl)c2)CCCC1 654322567 VGIMZGRVBPUIDZ-UHFFFAOYSA-N 381.867 3.648 0 40 GHAB CC(C)C[C@@H](NC[C@]1(OCCO)CCOC1)c1cccc(C(F)(F)F)c1 658147684 FHBBCKKRRWNOQW-QZTJIDSGSA-N 375.431 3.550 0 40 GHAB COc1ccccc1N1CCN(c2cc(C3CCOCC3)nc(C3CC3)n2)CC1 1888890894 RTOURLMCOWJDBR-UHFFFAOYSA-N 394.519 3.583 0 40 GHAB O=C(CC1CCCCC1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984727 LMSZJLUYCIKIPO-QHCPKHFHSA-N 384.520 3.772 0 40 GHAB Cc1cc(Br)cc(Br)c1OCC(=O)N1CCCC1 674411 FHMMEEMWFNKCLJ-UHFFFAOYSA-N 377.076 3.521 0 40 GHAB CC[C@H](C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(OC)cc3)nc12 845027 DRLJVADUQLDIDP-NSHDSACASA-N 392.381 3.952 0 40 GHAB Cc1ccc(NC(=O)c2ccc(CSc3nc(N)cc(N)n3)cc2)c(C)c1 1083514 LHMFPDAGRMMGTR-UHFFFAOYSA-N 379.489 3.802 0 40 GHAB Brc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 1157024 PGOXBPJYJWQQGM-UHFFFAOYSA-N 385.265 3.973 0 40 GHAB CCCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccco1 1364377 CSHOTBFGTCMLMY-UHFFFAOYSA-N 385.493 3.745 0 40 GHAB O=C(Nc1cccc(Br)c1)c1c(O)n2c3c(cccc3c1=O)CCC2 2284724 ISUVHDFIUBRJGC-UHFFFAOYSA-N 399.244 3.668 0 40 GHAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NCc1ccc(F)cc1 2636566 FHPFVHDAYAJAMW-UHFFFAOYSA-N 391.398 3.530 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2nccn2-c2cccc(C)c2)c1 2723040 UUYMEYXDRNSGME-UHFFFAOYSA-N 383.473 3.929 0 40 GHAB CCCCOc1ccccc1C1C(C(=O)OC)=CN(C(C)C)C=C1C(=O)OC 2797122 PKOYMBIGLXRHJY-UHFFFAOYSA-N 387.476 3.787 0 40 GHAB O=C(COC(=O)/C=C/c1ccccc1)Nc1nc2c(F)c(F)c(F)cc2s1 3271176 UAZHRAJGEIRLEW-VOTSOKGWSA-N 392.358 3.909 0 40 GHAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2CCc3ccccc32)cc1 3322168 MCPGUIOLQPMVQG-UHFFFAOYSA-N 399.446 3.972 0 40 GHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NCCc1ccc(F)cc1 3390462 AAADJTFUPWEOSD-UHFFFAOYSA-N 396.491 3.735 0 40 GHAB O=c1[nH]c(CN2CCC(Cc3ccccc3)CC2)nc2sc3c(c12)CCC3 3571909 IQJHEBMFVGBNJG-UHFFFAOYSA-N 379.529 3.928 0 40 GHAB Cc1coc2cc3oc(=O)c(CC(=O)NC[C@@H](O)c4ccccc4)c(C)c3cc12 4086582 HPPGCGBDWWGGOV-LJQANCHMSA-N 391.423 3.548 0 40 GHAB biogenic CC[C@H](C(=O)N(c1ccc(OC)cc1)[C@@H]1C=CS(=O)(=O)C1)c1ccccc1 4165488 KCOITLUUOBCUGR-QUCCMNQESA-N 385.485 3.533 0 40 GHAB O=C(OCCC[C@@H]1CCCO1)c1ccccc1C(=O)OCCC[C@@H]1CCCO1 4684121 HMZMEQBUUZQNNN-ROUUACIJSA-N 390.476 3.919 0 40 GHAB C/C=C(/C)C(=O)O[C@H](COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O 5132548 WXULKGXQMWVWMP-OMLDUKLJSA-N 386.400 3.567 0 40 GHAB biogenic,in-vitro CCOc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2C)ccc1=O 5401230 CHOQNYJRZCARTF-UHFFFAOYSA-N 377.444 3.565 0 40 GHAB Cc1ccc(C(=O)Nc2ccccc2Cl)cc1N1CCCCS1(=O)=O 5439687 BNGLFBFYHWCFCV-UHFFFAOYSA-N 378.881 3.831 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)o2)cc1 5788725 RSRMFTIKRLQTSL-UHFFFAOYSA-N 397.456 3.602 0 40 GHAB Cc1nc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc2ccccc12 6399631 FBNIIDAJBIHIEE-UHFFFAOYSA-N 396.491 3.518 0 40 GHAB O=C(/C=C/c1cc(Br)ccc1F)NCc1ccc2c(c1)OCO2 6510567 NZMIXCNMTIJHFC-QHHAFSJGSA-N 378.197 3.647 0 40 GHAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cc(C)ccc1OC)C(C)C 6617913 SBMXDANFKRKDGB-FQEVSTJZSA-N 384.476 3.795 0 40 GHAB COc1ccc(S(=O)(=O)Nc2nc3c(C)cc(C)cc3s2)cc1OC 7055272 RWALNEZSPASJBL-UHFFFAOYSA-N 378.475 3.731 0 40 GHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cccc(C(=O)O)c2)CC1=O 7928192 RMQUWSOMFQIIGK-KRWDZBQOSA-N 380.444 3.501 0 40 GHAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 8059162 GIBIARQWCBFSBT-AWEZNQCLSA-N 375.490 3.622 0 40 GHAB C[C@@H](Sc1nnnn1C1CC1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 8391601 TWPZNQMNTCFFDG-RKDXNWHRSA-N 386.308 3.673 0 40 GHAB CCc1cccc2c(C(=O)CN3C(=O)NC4(CCC(CC)CC4)C3=O)c[nH]c12 8882951 JXHAZLVJLMFQSY-UHFFFAOYSA-N 381.476 3.804 0 40 GHAB NC(=O)CSc1ccccc1NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 8988060 IFLQDOZHJRACNW-JXMROGBWSA-N 380.391 3.935 0 40 GHAB O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 9903444 KBMVEBFQYNUWSB-UHFFFAOYSA-N 382.441 3.505 0 40 GHAB CCOc1ccc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1 10272699 XZXROKPZWHDXCU-UHFFFAOYSA-N 399.447 3.501 0 40 GHAB CCOc1ccc(-c2noc(-c3nnn(-c4ccc(C)c(C)c4)c3N)n2)cc1 10273101 JHCIUKXJEBVFSN-UHFFFAOYSA-N 376.420 3.582 0 40 GHAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C3=CCN(C(N)=O)CC3)cc2)c(C)c1 11093681 HDGRJFODHDTPCS-QGZVFWFLSA-N 393.487 3.877 0 40 GHAB O=C(NCCNc1ccc(Nc2cccnc2)nn1)c1cccc2ccccc12 11796953 ZWJGNDIFVBEJEJ-UHFFFAOYSA-N 384.443 3.610 0 40 GHAB Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)c3sc(C)nc3C)CC2)on1 12118351 DVPUHPBFBOZPOB-UHFFFAOYSA-N 397.504 3.842 0 40 GHAB C[C@@H](C(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1)c1ccccc1 12129527 CTMVEMXFQHQTIV-SJLPKXTDSA-N 393.512 3.939 0 40 GHAB O=C1NC2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)Oc2ccccc21 12145772 DILCEJCUVSRVGQ-UHFFFAOYSA-N 396.874 3.513 0 40 GHAB Cc1c(-c2ccccc2)nc2c(c(C)c(C)n2CCCN2CCOCC2)c1N 12389187 AXCFSIMQLSHNAV-UHFFFAOYSA-N 378.520 3.933 0 40 GHAB C[C@H](Sc1ncc2ccccn12)C(=O)N1c2ccccc2NC(=O)C1(C)C 12540712 LRSCMAFQHAJSGG-ZDUSSCGKSA-N 380.473 3.579 0 40 GHAB COc1cccc(Nc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c1 12553282 XPPQTGLNHXOYFS-UHFFFAOYSA-N 389.502 3.958 0 40 GHAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12770017 UZZLZKQXTIVEFN-LSDHHAIUSA-N 387.430 3.643 0 40 GHAB COc1ccc([C@H]2CCCN2CC(=O)N2CCCc3cc(OC)ccc32)cc1 12791592 XTXRETBXNBCVTB-OAQYLSRUSA-N 380.488 3.820 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 12881509 AGHZCMWQRZWPHY-UHFFFAOYSA-N 391.943 3.702 0 40 GHAB CC[C@@H](CNC(=O)Cn1c(S)nnc1-c1ccc(C)cc1)c1ccccc1 12920948 VIPZYJLVCSJKMG-INIZCTEOSA-N 380.517 3.852 0 40 GHAB NC(=O)c1cc(NC(=O)Cc2csc(-c3ccsc3)n2)ccc1Cl 12921230 RVLAPWOXUXRTOS-UHFFFAOYSA-N 377.878 3.805 0 40 GHAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(Br)cc1F 12927625 BQGLNYQXDPWHGI-UHFFFAOYSA-N 380.213 3.931 0 40 GHAB Cc1ccccc1C(=O)NCC(=O)N1CCC(c2nc3ccccc3s2)CC1 12974724 AQNJTDJQZAAKBU-UHFFFAOYSA-N 393.512 3.741 0 40 GHAB COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccn(C)n3)nc12 13667683 RLPWFXIKQBBESL-UHFFFAOYSA-N 393.472 3.589 0 40 GHAB O=C(CSc1ncn[nH]1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 13683821 WZDIYHCURBHBNY-CQSZACIVSA-N 387.852 3.521 0 40 GHAB COc1ccc(S(=O)(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1OC 14086394 KXUNXWFZPSNCNH-LLVKDONJSA-N 389.395 3.762 0 40 GHAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 17289199 HLBOPFBXVVJIIJ-UHFFFAOYSA-N 384.501 3.665 0 40 GHAB O=C(CSc1nnc(-c2cccs2)o1)Nc1cccc2nsnc12 19078326 QGVMQXGMXWRFSV-UHFFFAOYSA-N 375.460 3.534 0 40 GHAB Cc1ccc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)c(=O)n1C 19131867 LTQOLKVMCOQJEY-UHFFFAOYSA-N 386.455 3.608 0 40 GHAB Cc1ccc(C2(CNC(=O)[C@H](C)Cn3cnc4ccccc43)CCOCC2)cc1 19208639 DINCVSVGRSICSS-LJQANCHMSA-N 391.515 3.845 0 40 GHAB COc1ccccc1-c1cc(C(=O)N2CCCCC[C@H]2c2ccn(C)n2)no1 19291033 RDBBWMAYNLNOFJ-SFHVURJKSA-N 380.448 3.841 0 40 GHAB CCc1c(C)nc([C@@H]2CCCN(CC3=Cc4cc(OC)ccc4OC3)C2)nc1O 19521538 WUUOJRKABPOVTF-QGZVFWFLSA-N 395.503 3.717 0 40 GHAB COc1cccc(C(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2)c1OC 19567306 FQDJIWHOWGTLTP-GOSISDBHSA-N 392.459 3.856 0 40 GHAB Cc1ccc2nc(N3CCOCC3)c(/C=C3\N=C(c4ccccc4)OC3=O)cc2c1 19848216 ZBTLKXYNGQCOFU-QNGOZBTKSA-N 399.450 3.724 0 40 GHAB CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1 22328091 FALKBNHLHJMHCE-HXUWFJFHSA-N 388.533 3.645 0 40 GHAB Cc1ccc(/C=C2\C(=O)N(CN3CCN(C)CC3)c3cc(Cl)ccc32)cc1 22786931 FGADZWSDHFRGPM-MOSHPQCFSA-N 381.907 3.741 0 40 GHAB O=c1c2ccccc2c(-c2cccs2)nn1C[C@@H](O)COc1ccc(F)cc1 22869424 WVSCLMITBGNSGP-OAHLLOKOSA-N 396.443 3.704 0 40 GHAB O=C(CCCSc1nc2ccccc2c(=O)n1CCCO)c1cccs1 24831724 OMHDEUINVVZNDE-UHFFFAOYSA-N 388.514 3.596 0 40 GHAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 25107673 LSGJEBGEQKQGRU-IBGZPJMESA-N 385.847 3.623 0 40 GHAB COCCN1C(=O)c2ccccc2N[C@H]1c1cnn(Cc2ccccc2Cl)c1 25310851 JFYJYKVTTINHMA-HXUWFJFHSA-N 396.878 3.798 0 40 GHAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccsc2c1=O 27818897 RECVJABAKCRIGS-UHFFFAOYSA-N 379.894 3.862 0 40 GHAB O=C(c1cc(Br)ccc1O)N1CCC([C@@H](O)c2ccccc2)CC1 31268175 SPGPFFPJTQFFEN-SFHVURJKSA-N 390.277 3.741 0 40 GHAB COc1ccccc1CNC(=O)c1ccc(Cn2c(C)nc3ccccc32)o1 35597054 SCEFMDYZCKNDOS-UHFFFAOYSA-N 375.428 3.925 0 40 GHAB Cc1cc(CN2CCN(C(=O)c3cc4c(s3)-c3ccccc3CC4)CC2)no1 36396576 BYAIIYCJBDKTSD-UHFFFAOYSA-N 393.512 3.768 0 40 GHAB Cc1ccc([C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)N(C)C)cc1 38629448 KPGJESWKARFPTF-QGZVFWFLSA-N 386.439 3.595 0 40 GHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cc(-c2cc3ccccc3o2)on1 38754575 ZHAXFHKTKJBSFI-ASSNKEHSSA-N 390.395 3.933 0 40 GHAB COc1ccc(NC(=O)c2cnc3c(-c4ccc(OC)cc4)cnn3c2C)cc1 38829627 HUUDZEWUVBVAHV-UHFFFAOYSA-N 388.427 3.974 0 40 GHAB CCN(CC)[C@H](CNC(=O)c1sc(-c2ncccn2)nc1C)c1ccccc1 40149081 BKUMGPFUYDZBSW-QGZVFWFLSA-N 395.532 3.721 0 40 GHAB C[C@@H](Sc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 40153331 BUQVOQJERYRKFR-CYBMUJFWSA-N 392.908 3.835 0 40 GHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccccc3Cl)n2)cc1C 41254970 JACDBWFYRFRJRQ-UHFFFAOYSA-N 395.890 3.887 0 40 GHAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(Br)o2)c1 49120916 VFRSLKVNGXJBGN-NSHDSACASA-N 379.254 3.500 0 40 GHAB Cc1cc(N)nc(SCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)n1 53561680 JVFFFKDIZRHVSG-IBGZPJMESA-N 390.512 3.634 0 40 GHAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)o1 53642910 RXMQDYMXXZLCCM-QFBILLFUSA-N 393.487 3.778 0 40 GHAB C[C@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1cc2ccccc2o1 56422027 LKOIFSNBRSDGME-INIZCTEOSA-N 378.476 3.853 0 40 GHAB CCOC(=O)c1cccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)c1 57412934 GAVUIHVHXXSKAC-UHFFFAOYSA-N 395.415 3.523 0 40 GHAB Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2)c(-c2ccccc2)n1 57526434 GSIYMNIXEQXBII-UHFFFAOYSA-N 398.260 3.620 0 40 GHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(ccn2CC(=O)N(C)C)c1 58017181 VBRDBKSLMLWIFF-CQSZACIVSA-N 399.878 3.789 0 40 GHAB Cc1ccn2cc(C(=O)Nc3nc(CN4C[C@H](C)C[C@@H](C)C4)cs3)nc2c1 58139088 SKDVIURDVWHCDP-HUUCEWRRSA-N 383.521 3.829 0 40 GHAB CCCCc1c(C)nc2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)nn2c1C 59419840 ZOYCMQZTZOBIBG-GUYCJALGSA-N 389.569 3.871 0 40 GHAB O=C(COC(=O)C1(O)CCCC1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 61248655 MSVGQJNBRCGLNM-HNNXBMFYSA-N 386.275 3.505 0 40 GHAB CC(C)C(=O)Nc1cccc(CNC(=O)CSCC(=O)c2ccccc2)c1 62582657 HDAMFVRPFMQKSM-UHFFFAOYSA-N 384.501 3.513 0 40 GHAB Cc1cccc(OC(F)F)c1NC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 66769772 KZIDDJMOAQRAEF-BLZCZZARSA-N 380.435 3.962 0 40 GHAB COc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Br)cc2)cc1Cl 72227903 SGOJKGBGNYBXQP-GJZGRUSLSA-N 381.657 3.526 0 40 GHAB O=C(c1cnccn1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72349211 DLIYOCQCUSHMJS-QGZVFWFLSA-N 376.435 3.621 0 40 GHAB CCCCCN[C@H](CC(=O)Nc1nc(-c2ccc(C)cc2)cs1)C(=O)O 72439278 OXDPDXVMRAJDPS-OAHLLOKOSA-N 375.494 3.680 0 40 GHAB CC(C)(C)OC(=O)NC[C@](C)(NCC(=O)Nc1cc(Cl)ccc1F)C1CC1 79105465 GUVAGUNRGBIKCY-IBGZPJMESA-N 399.894 3.701 0 40 GHAB O=C(Nc1cccc(CNC(=O)N2CCCSCC2)c1)c1cccc(F)c1 84374467 OJBIVOCYCABODV-UHFFFAOYSA-N 387.480 3.727 0 40 GHAB O=C(NCc1cc2ccccc2[nH]1)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 84594681 JBOOLMQLGVVZRG-HNNXBMFYSA-N 387.892 3.804 0 40 GHAB O=C(NCc1ccc2ccccc2c1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 89828181 BBTVZILGZAOOCW-QHCPKHFHSA-N 386.495 3.937 0 40 GHAB CCC(=O)c1ccc(OCC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)cc1 95444987 SIPRXPBCBYGXRZ-OAHLLOKOSA-N 393.443 3.628 0 40 GHAB COc1ccc2cc([C@H]3SCC(O)=Nc4c3cnn4C(C)C)c(=O)n(C)c2c1 95480732 ODIWFWVMCMNABY-GOSISDBHSA-N 398.488 3.749 0 40 GHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCn2cnc(CN3CCCC3)c2C1 96259319 XISASAPBAIXWFP-UHFFFAOYSA-N 392.425 3.544 0 40 GHAB O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 96261339 ITRJNJFTPYACRG-VQTJNVASSA-N 379.456 3.668 0 40 GHAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cccnc1C(F)(F)F 97032321 SBHDUDLLGKHHRS-UHFFFAOYSA-N 381.335 3.734 0 40 GHAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCCN(C)CC1 97037674 MDBPUHJUMALLAB-UHFFFAOYSA-N 383.439 3.915 0 40 GHAB COCc1ccc(-c2cc(O)n3nc(-c4ccc(OC)c(OC)c4)cc3n2)cc1 100775719 IHFUGRIQNYHTRA-UHFFFAOYSA-N 391.427 3.933 0 40 GHAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1cccs1)Nc1ccccc1 101113997 MADQGKBPQJCTAV-PTGBLXJZSA-N 376.441 3.572 0 40 GHAB Cc1ccc(N2C(=O)[C@H]3C(c4ccco4)=NN(c4ccccc4)[C@H]3C2=O)cc1C 101460697 DUAZFZNBTWKWRO-PZJWPPBQSA-N 385.423 3.679 0 40 GHAB Cc1sc2ccccc2c1S(=O)(=O)N1CCCC[C@H]1[C@@H](O)C(F)(F)F 108137248 DYMAAIZONQBRAE-SWLSCSKDSA-N 393.452 3.676 0 40 GHAB CC[C@@H](NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc(C)cc1 113957439 HXPPUYPLXRJZIZ-MAUKXSAKSA-N 392.496 3.556 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3)CC2)cc1 208043629 KLSJLVKURAUUCT-LJQANCHMSA-N 390.530 3.514 0 40 GHAB COc1cccc(N(CCCC(=O)Nc2ccccc2Cl)S(C)(=O)=O)c1 222587110 XYHIGFXESKMQHE-UHFFFAOYSA-N 396.896 3.534 0 40 GHAB CCc1cc(S(=O)(=O)NCCOc2cccc3ccccc23)ccc1OC 223572466 REHGWFTUJCZTPK-UHFFFAOYSA-N 385.485 3.768 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 224309163 WIGYNBRTDYTWRP-LJQANCHMSA-N 390.886 3.965 0 40 GHAB CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(OC)c(OC)c1 225495008 RUNFDPZLDXYXMK-CQSZACIVSA-N 399.896 3.795 0 40 GHAB FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225910315 JSEJGRDABQRCPB-LBPRGKRZSA-N 398.410 3.753 0 40 GHAB Cc1cccc(N([C@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 260842855 YAULAPDTBUPEOP-QGZVFWFLSA-N 396.512 3.619 0 40 GHAB CC(C)Cn1cnc2c1C1(CCN(c3ncccn3)CC1)Oc1ccccc1-2 306136191 PMBPEQJVSGPRBA-UHFFFAOYSA-N 375.476 3.884 0 40 GHAB CCN(CC)c1cc2c(cc1NC(=O)c1ccccc1Cl)n(C)c(=O)n2C 408534870 RNWFJHJRJRDGIP-UHFFFAOYSA-N 386.883 3.629 0 40 GHAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1 408620895 KNCZLMXZHKRRKY-UHFFFAOYSA-N 379.279 3.893 0 40 GHAB COc1ccc(-c2[nH]c(=Nc3ccccc3F)sc2CC(=O)O)c(OC)c1 408889103 DQHZSQWUYWTXBI-UHFFFAOYSA-N 388.420 3.759 0 40 GHAB COc1ccccc1Nc1ccccc1C(=O)NCc1ccc(-n2cncn2)cc1 503018309 NWZIOHWIPAKCJB-UHFFFAOYSA-N 399.454 3.950 0 40 GHAB O=C1CC[C@H](c2cccc(N[C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)c2)N1 515223230 CCKQBQRLMREHCN-MSOLQXFVSA-N 387.842 3.648 0 40 GHAB CC(C)(C)C[C@H](NC(=O)N1CCc2c(nnn2-c2ccccc2)C1)C(F)(F)F 574350797 CAXGACYMIUAIFX-INIZCTEOSA-N 395.429 3.702 0 40 GHAB Cc1nn(C)c(N)c1C(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1 585080876 DNLFJGXKIXBWOK-UHFFFAOYSA-N 385.468 3.627 0 40 GHAB COCc1cccc(-c2n[nH]c3c2CCN(C(=O)c2ccc(F)cc2)CC3)c1 585110350 JFZBBENKRICPRX-UHFFFAOYSA-N 379.435 3.603 0 40 GHAB O=C([C@@H](c1ccccc1)N1CCO[C@@H](c2ccccc2F)C1)N1CCCCC1 589598853 IZLZVDSGABIASR-FGZHOGPDSA-N 382.479 3.953 0 40 GHAB CC1(C(=O)O)CCN(C(=O)Nc2cc(Cl)c(Br)cc2F)CC1 630569605 SLUBJOIZYRAEJA-UHFFFAOYSA-N 393.640 3.960 0 40 GHAB O=C1CO[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)CN1c1cccc(F)c1 1615157041 NQENXFOJOZPINA-OAQYLSRUSA-N 390.405 3.502 0 40 GHAB COc1ccc(C(=O)N2CCC[C@@H](N(C)c3ncccc3C(F)(F)F)C2)cc1 1889186943 QGVNOACQNXZXIB-OAHLLOKOSA-N 393.409 3.850 0 40 GHAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(c2ccc(C(C)=O)cc2)CC1 26160955 GANDAXIWRDIESF-HXUWFJFHSA-N 386.879 3.579 0 40 GHAB COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2CCCC2)c1OC 1293497 GZVHTGXMSQAZRX-QGZVFWFLSA-N 399.516 3.539 0 40 GHAB Cc1ccc(C(=O)NC(Nc2cc(C)on2)(C(F)(F)F)C(F)(F)F)cc1 1042114 YVSKTXFCWPFLCM-UHFFFAOYSA-N 381.276 3.954 0 40 GHAB COc1ccc([C@@]2(O)OC[C@@H](COc3cc(C)c(Cl)c(C)c3)O2)cc1OC 1588984 COZRYDWWARSBAZ-OXQOHEQNSA-N 394.851 3.571 0 40 GHAB COc1cc2c(cc1[C@H](CC(C)=O)c1cc(OC)c(OC)c(OC)c1)OCO2 1591349 XSTIJJBBQHDQOM-CQSZACIVSA-N 388.416 3.561 0 40 GHAB COc1cc(OC)c(NC(=O)NCc2cccc(CN(C)C)c2)cc1Cl 43413148 UVXIVPCYNDSFSY-UHFFFAOYSA-N 377.872 3.741 0 40 GHAB Cn1c(SCc2nc3c(F)cccc3s2)nc(C(F)(F)F)cc1=O 1400813 VKASWLUHOYOGKK-UHFFFAOYSA-N 375.372 3.840 0 40 GHAB O=C(NCc1ccccc1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 1400107 XPPHFCHFQHHJAY-UHFFFAOYSA-N 386.373 3.845 0 40 GHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc2c(n1)[nH]c1ccccc12 4411511 FDBXWUNFLARFRY-GFCCVEGCSA-N 375.457 3.576 0 40 GHAB COc1cc(OC)c(C2=CCN(C(=O)c3cc(Cl)cn3C)CC2)c(OC)c1 26003244 IBPOKRAKWSFUCF-UHFFFAOYSA-N 390.867 3.634 0 40 GHAB O=C(COc1ccc(Oc2ccccn2)cc1)NC[C@H]1COc2ccccc2C1 44091883 TXDIGUGDXXULIU-KRWDZBQOSA-N 390.439 3.620 0 40 GHAB COC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)cc(C(=O)OC)c1 6579256 NIANLAHOLKJJNO-UHFFFAOYSA-N 381.306 3.531 0 40 GHAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)C(F)(F)F)cc2Cl)CC1 7496929 JBKHGKKSXKDRTN-UHFFFAOYSA-N 391.821 3.536 0 40 GHAB CC(C)NC1CCN(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 108368092 ZGHSGUFVLWBMOY-QFIPXVFZSA-N 375.532 3.636 0 40 GHAB Cc1cc(C(=O)NCCSc2ccc(Cl)cc2)ccc1NS(C)(=O)=O 10314338 FHUZEWFBQYZRIN-UHFFFAOYSA-N 398.937 3.542 0 40 GHAB COCCNC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10338390 RPKJGSXAJMGGTE-UHFFFAOYSA-N 382.504 3.932 0 40 GHAB O=C(c1cc(=O)c2cc(Br)ccc2o1)N1CCOC12CCCCC2 35671100 ZNHBVMOYSBFHTA-UHFFFAOYSA-N 392.249 3.688 0 40 GHAB Cc1nn(C)c(C)c1C(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 57924894 GDQFMEFTHGTCNM-QGZVFWFLSA-N 385.514 3.517 0 40 GHAB O=C(CNc1cccc(-c2nnnn2C2CC2)c1)N1CCC[C@H]1c1cccs1 44758966 OKZVFEFYKBNYTJ-KRWDZBQOSA-N 394.504 3.512 0 40 GHAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc2c(c1)OCO2 27686329 JYYSGSFXVIGJFM-WBVHZDCISA-N 395.459 3.537 0 40 GHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 175956654 YQPSFKOBDRGUTN-CXAGYDPISA-N 395.908 3.778 0 40 GHAB Cc1cccc(NC(=O)[C@H](C)Oc2ccc(C3=CCN(C(N)=O)CC3)cc2)c1 11093346 ATTOFPFDEOMDCY-INIZCTEOSA-N 379.460 3.569 0 40 GHAB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NC(C)C)cc3N2)cc1 2303368 QKGUGNKDLUPNBZ-DZGCQCFKSA-N 382.386 3.690 0 40 GHAB COc1cc(CN2CCC[C@H]([C@@H](C)O)C2)cc(Br)c1OC(F)F 96003593 VWSKEIQOCBJHMX-PWSUYJOCSA-N 394.256 3.652 0 40 GHAB CN(Cc1ccccc1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2622702 USMNBRBMVGMOAZ-UHFFFAOYSA-N 378.501 3.895 0 40 GHAB COc1ccc2nc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)sc2c1 2631123 VCZQRTFRCYIAEF-UHFFFAOYSA-N 389.864 3.717 0 40 GHAB COCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1 24299827 XDXBDPYMIZXMEQ-UHFFFAOYSA-N 396.516 3.939 0 40 GHAB O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1 3350963 OSLZNHQRLFUJOQ-UHFFFAOYSA-N 380.513 3.783 0 40 GHAB O=C(COC(=O)CCC(=O)c1ccc2c(c1)CCCC2)NCC1CCCCC1 12891129 XPNUZQRMYDDNCK-UHFFFAOYSA-N 385.504 3.768 0 40 GHAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)CN3CSCC3=O)n2)cc1 12814426 ZKSSOEZQFUFHQX-GFCCVEGCSA-N 375.519 3.795 0 40 GHAB Cc1ccc(NC(=O)CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 12868299 VBZYJLIQUMXXBG-UHFFFAOYSA-N 394.450 3.647 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)N(C)[C@@H](C)c1cc2ccccc2o1 12945906 PFLNFQWWUQZTSW-NSHDSACASA-N 379.459 3.663 0 40 GHAB CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccccc1)S2 9294980 WALNJZNBNAKOMQ-RTBURBONSA-N 393.516 3.937 0 40 GHAB Cc1ccc(C(=O)Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)cc1 4592893 DAXNLRPFFBIFNM-NFQUHZNNSA-N 375.424 3.750 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1F 26935822 RAUFSEYZLOASML-KRWDZBQOSA-N 396.871 3.579 0 40 GHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1 14240748 SPLHCSUDMJLSOR-DHZHZOJOSA-N 387.361 3.614 0 40 GHAB CN(C)S(=O)(=O)c1cc(NC(=S)Nc2ccc(F)cc2)ccc1Cl 6544233 XPFSNJGLDGCKGZ-UHFFFAOYSA-N 387.889 3.538 0 40 GHAB Cn1c(SCCOc2ccc(F)cc2)nc2sc3c(c2c1=O)CCC3 5570683 OCRHJGVHKMFPTI-UHFFFAOYSA-N 376.478 3.794 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3nc(-n4cccc4)sc3c2)C1 9481314 LCSIRGGXPZGIRZ-OAHLLOKOSA-N 383.473 3.502 0 40 GHAB CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc1 14800235 IKNXSOAWGHALLY-LJQANCHMSA-N 392.496 3.640 0 40 GHAB Cc1sc2nc(CCC(=O)N(C)[C@@H](c3cccnc3)C(C)C)[nH]c(=O)c2c1C 95349332 PAEKQXXFKKLGTG-LJQANCHMSA-N 398.532 3.785 0 40 GHAB O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1 5860179 URPHEXVXDNJLNU-UHFFFAOYSA-N 387.848 3.788 0 40 GHAB O=C(Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1)C1CCCCC1 6927979 XXRMKZAMXALTTQ-UHFFFAOYSA-N 383.473 3.501 0 40 GHAB Cc1c(C(=O)Nc2ccccc2N2CCCC2=O)[nH]c2c1C(=O)CC(C)(C)C2 9513848 SUFIVBOOLFGZBG-UHFFFAOYSA-N 379.460 3.857 0 40 GHAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1cccc(C)c1 7428358 UVPSXYCZGYKQJB-UHFFFAOYSA-N 379.434 3.936 0 40 GHAB O=C([C@@H]1COc2ccccc2O1)N1CCC(c2nc3ccccc3s2)CC1 7645079 RSACZXBAJLHEAM-SFHVURJKSA-N 380.469 3.842 0 40 GHAB O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)[C@H]1COc2ccccc2O1 7735666 NSQDFUWWIVSROB-OAQYLSRUSA-N 395.455 3.736 0 40 GHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cncn1-c1ccccc1 7719065 KNMTZJWISAUIQO-UHFFFAOYSA-N 390.424 3.977 0 40 GHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)c1C 7729398 GLNPGCLTGYDZQD-HNNXBMFYSA-N 388.489 3.749 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 8073621 HPJXZTAZTZLMMH-UHFFFAOYSA-N 394.471 3.952 0 40 GHAB C[C@@H]1C[C@@H](Sc2nnc(COc3ccccc3F)n2-c2ccccc2)C(=O)O1 8194464 ASNHJVVZYMJKFC-CXAGYDPISA-N 399.447 3.782 0 40 GHAB O=C(CSc1nnnn1C1CC1)N(Cc1ccc(F)cc1)C1CCCCC1 8231239 DZQMUXAXSSQHQO-UHFFFAOYSA-N 389.500 3.601 0 40 GHAB CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)COc1ccccc1 8606831 JFONFEMWFNVEQL-UHFFFAOYSA-N 394.471 3.744 0 40 GHAB Nc1nc(COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)nc2sc3c(c12)CCCC3 18255741 SHIJFQNXDVWKRW-FUNVUKJBSA-N 399.516 3.591 0 40 GHAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 8713809 WWQGNMCGGCFZJR-LBPRGKRZSA-N 385.441 3.688 0 40 GHAB O=C(NCCCSc1ccc(F)cc1)C1CCN(C(=O)c2ccco2)CC1 8726827 KRBBGFAUQYDFKZ-UHFFFAOYSA-N 390.480 3.570 0 40 GHAB C[C@H](NC(=O)CN(C)CC(=O)Nc1cccc2ccccc12)c1ccccc1 8749860 CUZJXZYLVUWZSF-KRWDZBQOSA-N 375.472 3.588 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 20483087 DYFBZPZEUVYVLD-KDOFPFPSSA-N 394.924 3.762 0 40 GHAB CCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O 4744988 KGNXBHGLNZOQOK-ZACQAIPSSA-N 391.254 3.860 0 40 GHAB O=C(NCCNC(=O)NC1CCCCC1)Nc1ncc(-c2ccccc2)s1 89851265 UXBQKTDJZJEAMD-UHFFFAOYSA-N 387.509 3.564 0 40 GHAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc(C(=O)OC)c1 20104871 OMXWXYWCIHBGLI-AWEZNQCLSA-N 399.443 3.789 0 40 GHAB CCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 409137794 YWPIKOJXDWUMLS-UHFFFAOYSA-N 394.924 3.760 0 40 GHAB C[C@H](C(=O)Nc1c(Cl)cccc1Cl)N(c1ccccc1)S(C)(=O)=O 408577060 IDOVAEXWZMLYTL-LLVKDONJSA-N 387.288 3.787 0 40 GHAB COc1cccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)c1 35290236 CFGOTXDVLACKMZ-VBKZILBWSA-N 384.505 3.786 0 40 GHAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 63146791 NNTQSEZBLPLLIY-UHFFFAOYSA-N 378.208 3.720 0 40 GHAB c1ccc(-c2cnc3c(N4CCN(Cc5ccsc5)CC4)nccn23)cc1 306129987 ITHIMCQTJJZAEJ-UHFFFAOYSA-N 375.501 3.780 0 40 GHAB CC(C)c1cccc2c(=O)c(C(=O)NC[C@H]3CCCN4CCCC[C@H]34)c[nH]c12 526052606 UBRKBSVIKOHDBK-OXQOHEQNSA-N 381.520 3.646 0 40 GHAB biogenic CC1CCN(C(=O)c2cccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)c2)CC1 408720910 AUVJAUCCJIJBDX-JPYJTQIMSA-N 382.504 3.874 0 40 GHAB COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c(OC)c1 36632646 DHUKEWWQOXIPOO-UHFFFAOYSA-N 377.444 3.559 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc(S(C)(=O)=O)cc1 219536012 MOMLOTYSYUNTOD-APWZRJJASA-N 389.517 3.742 0 40 GHAB CCn1ncc(NC(=O)N2CCCN3c4ccccc4C[C@H]3C2)c1C(F)(F)F 565862041 SZEFQNJXROFKEA-AWEZNQCLSA-N 393.413 3.591 0 40 GHAB CC(=O)N1CC[C@@H](c2c(C(=O)NCCc3ccccn3)sc3ccccc23)C1 72352621 ZMIOYHDXOGDFMF-MRXNPFEDSA-N 393.512 3.605 0 40 GHAB CC[C@H](NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccccc1OC 40133741 VKCANAUHGLRZIF-HOCLYGCPSA-N 388.899 3.623 0 40 GHAB O=C(NCCC(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccc(F)cc1Cl 40131571 KQCKPGUDCRVLPS-UHFFFAOYSA-N 392.833 3.929 0 40 GHAB CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1 44899717 YRZHUABUMCPIHQ-XLIONFOSSA-N 388.533 3.725 0 40 GHAB CN(Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 224408376 ZETYXPAYNLTJNH-UHFFFAOYSA-N 398.459 3.899 0 40 GHAB Cc1ccccc1-c1noc(CNC(=O)Cc2cccc(Br)c2)n1 225624195 ORQONJRVJZAXJV-UHFFFAOYSA-N 386.249 3.666 0 40 GHAB O=C(c1ccc2[nH]ccc2c1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225732981 UEZGRWDQQOGDAF-HNNXBMFYSA-N 375.350 3.875 0 40 GHAB Cc1nnc2c(SCC(=O)NCc3ccccc3Cl)nc3ccccc3n12 49421776 SQJNVWOOQUKNBN-UHFFFAOYSA-N 397.891 3.648 0 40 GHAB CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1 224015766 NHEMHGPYNMSURI-UHFFFAOYSA-N 390.505 3.723 0 40 GHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1cc(C)cc(C)c1 224619152 OQDMDUNMTYFJOM-JOCHJYFZSA-N 396.531 3.668 0 40 GHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 223020585 WMSHYHNXLVTMJD-VQTJNVASSA-N 396.491 3.630 0 40 GHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 224178185 FGMKIVXVAHGHCT-OAQYLSRUSA-N 382.504 3.626 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C)cc1 222932849 QDIQCNOVRMQYIU-INIZCTEOSA-N 388.895 3.581 0 40 GHAB Cc1ccc(NC(=O)c2cnn(C)c2Cc2ccccc2)cc1C(=O)NC(C)C 584330544 VCHYYJNGFHCJIR-UHFFFAOYSA-N 390.487 3.710 0 40 GHAB Cc1cc(C(=O)N2C[C@H]3[C@@H](Oc4cccc(F)c4)CC[C@H]3C2)c2c(C)noc2n1 257204001 ASOXDTBWZIERHI-KYNGSXCRSA-N 395.434 3.908 0 40 GHAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)c3ccc(F)cc3)C2)ncn1 257321604 WCIGWZNKDNXVNW-OAHLLOKOSA-N 380.423 3.592 0 40 GHAB O=C(NC1CCC(O)CC1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257218699 DEEBUCGBFXPXNI-UHFFFAOYSA-N 394.515 3.508 0 40 GHAB O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1ccc(Br)cn1 589880659 RXPZVSIJIBTGNN-GOSISDBHSA-N 388.309 3.801 0 40 GHAB C[C@H](c1ccccc1)n1cc(Nc2ncc(I)cn2)cn1 1612519607 RTYJIDCFNRFTGW-LLVKDONJSA-N 391.216 3.631 0 40 GHAB O=C1CC[C@@H](c2cccc(NC(=O)Nc3ccn(Cc4ccccc4)n3)c2)N1 1219142073 JINLCHMRKSHJTD-SFHVURJKSA-N 375.432 3.527 0 40 GHAB COc1ccc(Cl)cc1NC(=O)C(=O)NCCCc1cc2ccccc2o1 390828254 APJMJJBJBXCFIM-UHFFFAOYSA-N 386.835 3.782 0 40 GHAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2c(Cl)nc3ccccn23)o1 54828633 XEUDSJVLXGSLPM-DGCLKSJQSA-N 379.869 3.525 0 40 GHAB CC(C)(C)OC(=O)N1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 59936955 TYNVREAHYQUWQI-UHFFFAOYSA-N 397.313 3.507 0 40 GHAB Cn1cc(-c2ccc3c(c2)OCC[C@H]2CN(CC4CC4)CC[C@H]2CC(=O)N3)cn1 1534646969 YWPLWEDNRIGOBT-OALUTQOASA-N 394.519 3.546 0 40 GHAB Cn1ccnc1C(=O)c1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 12628987 FZGRAQDHRIPIRA-UHFFFAOYSA-N 393.830 3.719 0 40 GHAB COc1ccc2[nH]c(=O)c(CN(C(=O)C(C)C)c3ccccc3OC)cc2c1 13479907 FQFHFVVWAQXHBW-UHFFFAOYSA-N 380.444 3.735 0 40 GHAB Cn1cc(CCn2ccc3nc(N4CCCCC4)ncc3c2=O)c2ccccc21 13638605 ZVNJHNGNUFLRIF-UHFFFAOYSA-N 387.487 3.516 0 40 GHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)C2CCCC2)on1 19121756 MWOZVTYBAVDONC-QGZVFWFLSA-N 383.496 3.750 0 40 GHAB CCC(CC)C(=O)N1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1C 19500163 DKCWXBPVFOANQL-IBGZPJMESA-N 396.539 3.577 0 40 GHAB CCn1ccnc1CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(C)=O 19578151 CAWAXLHLJPDOBY-XJUOHMSHSA-N 398.526 3.801 0 40 GHAB Cc1nc2c(nc(SCc3nc(-c4ccccc4C)oc3C)n2C)c(=O)[nH]1 19625830 GBJWKGVRNVQFFT-UHFFFAOYSA-N 381.461 3.529 0 40 GHAB biogenic,in-vitro CCOC1CCN(CC(=O)Nc2c(C)nn(-c3ccc(C)c(C)c3)c2C)CC1 19716011 AIVZJLILGFIYEU-UHFFFAOYSA-N 384.524 3.545 0 40 GHAB CCCn1ncc2ccc([C@H]3CCCN(CC(=O)Nc4ccc(F)cc4)C3)nc21 19742134 ACYQEOZBQAYOTB-KRWDZBQOSA-N 395.482 3.799 0 40 GHAB Cc1nc2ccccc2n1CCNC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 8135645 ZAUISZMGJHRBLB-VOTSOKGWSA-N 383.835 3.556 0 40 GHAB COc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC)C(=O)O2)cc1 4589806 FAMBMJFQEBYVCD-GDNBJRDFSA-N 388.217 3.811 0 40 GHAB Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H](N)CC(C)C)CC3)n2)s1 643550366 DBNNTVXKVRIRJD-INIZCTEOSA-N 387.553 3.670 0 40 GHAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccnc1N1CCOCC1 21493276 IEJYYXWOUGAHEC-UHFFFAOYSA-N 395.459 3.602 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2c(F)cccc2Cl)CC1 25665728 WHQPYWZCLYSGPK-UHFFFAOYSA-N 385.870 3.847 0 40 GHAB CCn1c2ccccc2c2nnc(SCC(=O)c3ccc(OC)cc3)nc21 3118076 QHPMLACDWGQZJS-UHFFFAOYSA-N 378.457 3.983 0 40 GHAB Cc1cnc(OC2CCN(C(=O)CCc3ccc(C(F)(F)F)cc3)CC2)nc1 1775973062 GQOUNISZDALNIW-UHFFFAOYSA-N 393.409 3.806 0 40 GHAB Cc1ccc(Cl)cc1S(=O)(=O)NCC1(c2cccs2)CCOCC1 23238627 IFPZXTVWILIIBW-UHFFFAOYSA-N 385.938 3.737 0 40 GHAB COc1ccc(C[C@](C)(O)CNC(=O)CCc2ccc(C(F)(F)F)cc2)cc1 206706866 JLIBAHKYWQGOMH-FQEVSTJZSA-N 395.421 3.757 0 40 GHAB Cc1cccc(-c2noc(CN3CCCN(Cc4ccc(F)cc4)CC3)n2)c1 29712350 ZWWNUKKCZCIOCB-UHFFFAOYSA-N 380.467 3.892 0 40 GHAB COC(=O)c1cccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1C 40059975 YWBCFWBIZKIRBX-FQEVSTJZSA-N 378.428 3.684 0 40 GHAB O=C(NCC1(c2ccccc2)CCCCC1)[C@@H]1CCCN1C(=O)c1ccco1 40082647 CBWQXMWJKPSWID-IBGZPJMESA-N 380.488 3.903 0 40 GHAB NC(=O)c1cc(-c2csc(NC(=O)CSc3ccccc3Cl)n2)c[nH]1 30981367 NPOIBZSRWLGDRL-UHFFFAOYSA-N 392.893 3.621 0 40 GHAB C(=C/c1nn2c(COc3ccc4c(c3)OCO4)nnc2s1)\c1ccccc1 20733798 YQEQJQPNJOJHLY-RMKNXTFCSA-N 378.413 3.664 0 40 GHAB CC(=O)Nc1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1C 32753721 YKFTYFOLGHNWCN-UHFFFAOYSA-N 385.489 3.506 0 40 GHAB CC(=O)Nc1ccc(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 32738210 SXNJHCJWHPOTPX-UHFFFAOYSA-N 394.471 3.888 0 40 GHAB CCc1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 102550011 YVLRKMGZPCJNLD-IDPBPBMLSA-N 387.435 3.780 0 40 GHAB Cc1nc2nc(NCc3cccc(Cl)c3)nn2c(O)c1Cc1ccccc1 102801639 KXHMHHXPECITBS-UHFFFAOYSA-N 379.851 3.995 0 40 GHAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(N2CCCS2(=O)=O)cc1 22284985 MOKXGMWOXUWJBM-UHFFFAOYSA-N 399.299 3.715 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1OC[C@H]1CCCO1 22692627 HMEFYLYEBVQDRN-UYAOXDASSA-N 398.503 3.794 0 40 GHAB O=C(OCc1nc(-c2cccs2)no1)c1cc(Br)ccc1O 23221275 RAJUONXZNQFLEK-UHFFFAOYSA-N 381.207 3.623 0 40 GHAB CN(Cc1cccc2ccccc12)C(=O)Nc1cccnc1N1CCOCC1 54482522 MXMFGRCSDZFYSD-UHFFFAOYSA-N 376.460 3.735 0 40 GHAB CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CNC(=O)c1ccsc1 967961 NPGABYHTDVGGJK-MRXNPFEDSA-N 393.487 3.973 0 40 GHAB in-man O=C(NCC1(c2ccc(Cl)cc2)CC1)[C@@H]1CSCN1C(=O)C1CCCC1 78603682 SNAPOVXCMISPHW-KRWDZBQOSA-N 392.952 3.580 0 40 GHAB O=C1COc2ccc(S(=O)(=O)Nc3ccccc3-c3cccs3)cc2N1 12525835 YDMXYMHPNAFITQ-UHFFFAOYSA-N 386.454 3.547 0 40 GHAB Cc1c(Cl)cccc1-n1c(SCC(=O)NC2CC2)nnc1-c1ccncc1 3477199 LGHDICHZHZQPNV-UHFFFAOYSA-N 399.907 3.662 0 40 GHAB Cc1cc(C)c(N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)c(C)c1 1421227 MYRLJVZJXRAHDK-UHFFFAOYSA-N 376.497 3.570 0 40 GHAB Cc1ccc(CN(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)cc1 6029815 LWQSPISWUQOABZ-UHFFFAOYSA-N 394.496 3.825 0 40 GHAB Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccsc2c1=O 26099989 LTUJULIHJRHYBO-UHFFFAOYSA-N 399.419 3.745 0 40 GHAB Cc1ccccc1N1C(=O)C=C(O)N[C@H]1SCC(=O)Nc1c(C)cccc1C 6868384 IWWZOQFBRHNCCW-OAQYLSRUSA-N 397.500 3.603 0 40 GHAB CC(C)CCNc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1 7273997 ICSFXPWSTKNTBP-ZDUSSCGKSA-N 379.551 3.979 0 40 GHAB CC1=C(C(=O)N(C)C)[C@@H](c2cccc(F)c2)NC(=S)N1c1ccc(C)cc1 7851169 RXBVBHRECVTXLU-LJQANCHMSA-N 383.492 3.932 0 40 GHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCC(=O)c1ccc(Cl)s1 7982928 CJPIOYJCICXKJI-UHFFFAOYSA-N 394.832 3.562 0 40 GHAB CCOc1ccc(CNn2c(-c3ccccc3OC)n[nH]c2=S)cc1OC 8324758 BRXQOBLPDOAJDI-UHFFFAOYSA-N 386.477 3.767 0 40 GHAB COc1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1OC(F)F 58108992 JDFHJRFGVGFSAC-UHFFFAOYSA-N 399.202 3.799 0 40 GHAB O=C(c1cncn1-c1ccccc1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 58202305 QCYXVLFMIQPXID-UHFFFAOYSA-N 398.470 3.677 0 40 GHAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCCC3)cc2)C(C)C)cc1 10429454 KCFGVMAEZGMHAE-NRFANRHFSA-N 379.504 3.988 0 40 GHAB C[C@@H](NC(=O)Nc1cccc(-c2nnnn2C)c1)c1ccc2c(c1)CCCC2 58428226 VBPZZANEWXERQY-CQSZACIVSA-N 376.464 3.639 0 40 GHAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 58414827 SNFCFQUUWWCDFT-SECBINFHSA-N 380.370 3.908 0 40 GHAB OC1=Nc2nc(N3CCOCC3)sc2[C@H](c2ccccc2Br)C1 36360327 NUWOGYBURBOQRP-NSHDSACASA-N 394.294 3.866 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1C 10964773 UZQAZTBRGYPGHO-AWEZNQCLSA-N 376.453 3.914 0 40 GHAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)N1CCC(CO)CC1 45354268 AKJXTMBFDFJYKR-UHFFFAOYSA-N 393.281 3.623 0 40 GHAB Cc1cc(C)n2nc(SCC(=O)N[C@@H](C)c3ccc4ccccc4c3)nc2n1 11020101 VCFBPAQUUZAHOD-HNNXBMFYSA-N 391.500 3.864 0 40 GHAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 2471780 VNYURMIZZSPUHJ-UHFFFAOYSA-N 379.869 3.769 0 40 GHAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccccc4O)nc32)cc1Cl 2423726 QMOHDQSKXJAYGI-UHFFFAOYSA-N 376.807 3.798 0 40 GHAB CC(C)C[C@]1(c2ccccc2)NC(=O)N(Cc2nc(-c3ccccc3)no2)C1=O 12614066 PWPNGMFWAXIBMH-JOCHJYFZSA-N 390.443 3.730 0 40 GHAB COc1cc(C(=O)NCC2(c3ccccc3)CC2)cc(OC)c1Br 11750469 BJWUJQAOQIBIED-UHFFFAOYSA-N 390.277 3.928 0 40 GHAB CSCc1nc2sc(C(=O)NCC3(c4ccccc4)CC3)c(C)c2c(=O)[nH]1 11749731 QZJYDFXQCLCEOD-UHFFFAOYSA-N 399.541 3.618 0 40 GHAB CCCN(CC1CC1)C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 12779288 LUGWCJJMORWYHR-NRFANRHFSA-N 390.483 3.543 0 40 GHAB CN(c1ccc(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)cc1)S(C)(=O)=O 12758516 BJAYBCJZECGDAV-AWEZNQCLSA-N 391.518 3.501 0 40 GHAB Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)s1 12788640 LKZZKEQWRUPNDK-UHFFFAOYSA-N 383.454 3.658 0 40 GHAB COc1cccc([C@H](CNC(=O)Nc2ccc(F)cc2F)N2CCCC2)c1 12743614 LQLGGCXIYNPDBZ-IBGZPJMESA-N 375.419 3.932 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c(Cl)c1 3328389 SZKQQBLRDOQTCE-GOSISDBHSA-N 392.908 3.830 0 40 GHAB COc1ccc(S[C@@H](C)C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1OC 20456212 AFWAYDLARAHQEL-ZACQAIPSSA-N 394.581 3.669 0 40 GHAB COc1ccc2cc(C(=O)N3CCN(Cc4csc(C)n4)CC3)ccc2c1 12911921 HILFGTFORQNIHM-UHFFFAOYSA-N 381.501 3.571 0 40 GHAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(Cl)cc1Cl 3652521 AQNNOWXCTBVFER-AWEZNQCLSA-N 385.272 3.817 0 40 GHAB CCn1cc(CC[C@@H](C)NS(=O)(=O)c2ccc(OC)cc2)c2ccccc21 3765571 UHXQNGVFKDVAMQ-MRXNPFEDSA-N 386.517 3.969 0 40 GHAB Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(F)cc2)cc1C 9237587 PTGYAICPWLEGEW-QZTJIDSGSA-N 397.479 3.740 0 40 GHAB CCCN(CCC)C(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(Cl)cc1 9238434 GAIWNMKKXZJPMG-CVEARBPZSA-N 393.944 3.648 0 40 GHAB COc1ccc(NC(=O)c2ccc(CNC(=O)OCC(F)(F)F)cc2)cc1 4050414 SQFDXYCROZUGJN-UHFFFAOYSA-N 382.338 3.736 0 40 GHAB CCOC(=O)c1noc(C)c1CSc1nc2sc(C)cc2c(=O)n1CC 13642293 OWPFUQAQMUNAAI-UHFFFAOYSA-N 393.490 3.552 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3 64814476 XNGOVZLANKNNPM-VXGBXAGGSA-N 397.397 3.616 0 40 GHAB COc1ccc(C(=O)CSc2nnc(-c3ccc[nH]3)o2)cc1Br 14094376 FFGPRKRSHKGSJJ-UHFFFAOYSA-N 394.250 3.811 0 40 GHAB CCN(CC(=O)NC(C)C)C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 14196853 UNPSJDNROSFTSB-SOFGYWHQSA-N 376.806 3.745 0 40 GHAB Cc1ccc(N2CCN(C(=S)Nc3ccc4c(c3)OCCO4)C[C@H]2C)cc1 6400878 MSVVCROFCFLRCH-MRXNPFEDSA-N 383.517 3.674 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C 6479989 AKFUWNOMVWUONN-UHFFFAOYSA-N 394.456 3.968 0 40 GHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cc(F)cc(F)c1 4741914 VEEQSDYGUGYZSI-LJQANCHMSA-N 399.397 3.793 0 40 GHAB C[C@@H]1CCc2c(sc(NC(=O)Cc3c(F)cccc3Cl)c2C(N)=O)C1 7006522 VYQJENLOEFZVCH-SECBINFHSA-N 380.872 3.946 0 40 GHAB O=C(CCNC(=O)c1ccccc1Cl)NCCc1ccc(C(F)(F)F)cc1 7007489 MEYSFDSZLXYRKT-UHFFFAOYSA-N 398.812 3.838 0 40 GHAB COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3nc4ccccc4s3)C2=O)cc1 7411174 RWFUFDVHDLGLFC-OAQYLSRUSA-N 395.484 3.748 0 40 GHAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(-c2nnco2)cc1 7941334 MVPIPFLACYLHCO-UHFFFAOYSA-N 376.460 3.653 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1cccc(Cl)c1 8059920 TYECYWVUYSABJV-UHFFFAOYSA-N 375.881 3.621 0 40 GHAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1CCc2ccccc21 8076575 MQIYNMUAHDERDE-AWEZNQCLSA-N 391.500 3.745 0 40 GHAB CCc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc1 16751346 NOEOKUWQYADGFM-IBGZPJMESA-N 377.440 3.510 0 40 GHAB CC(C)c1cc(C(=O)NCc2ccc3c(c2)OCO3)c2cnn(C(C)C)c2n1 8231437 CQZGYFYPMRXBKE-UHFFFAOYSA-N 380.448 3.794 0 40 GHAB Cc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(CCc4ccc(F)cc4)C3)sc2c1 8246106 PYFNGTQUCIDISU-OAHLLOKOSA-N 397.475 3.774 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 8490598 POFBUJZKJJTKPM-NRFANRHFSA-N 395.846 3.780 0 40 GHAB O=C(Nc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1)c1ccco1 8654696 REGKVEWYXIKXLN-JTQLQIEISA-N 388.836 3.557 0 40 GHAB Cc1ccc(C)c(NC(=O)CN2CCCc3c(C(=O)NC(C)C)cccc32)c1 8706744 PDOSQRQTPPWTLR-UHFFFAOYSA-N 379.504 3.833 0 40 GHAB Cc1c(C(=O)Oc2cccc(C(N)=O)c2)sc2nc(C(F)(F)F)ccc12 95361045 STWJKGRUQVCBQZ-UHFFFAOYSA-N 380.347 3.942 0 40 GHAB COc1ccc(CCc2nc3nccc(-c4ccc(OC)cc4F)n3n2)cc1 95480815 PRMVSXJYQQHYNZ-UHFFFAOYSA-N 378.407 3.733 0 40 GHAB Cc1cc(OCC(=O)O)ccc1NC(=O)Cc1csc(-c2ccccc2)n1 95425250 ATTPMZWYFDEFQT-UHFFFAOYSA-N 382.441 3.763 0 40 GHAB Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1CCO[C@@H](C)C1 95457818 BHZOQQSHUQHHPO-SWLSCSKDSA-N 375.494 3.524 0 40 GHAB Cc1cc(C)c(OCC(=O)Nc2ccc(CC(=O)O)cc2)c(Br)c1 20144439 ZKQDHTRDFBXUIM-UHFFFAOYSA-N 392.249 3.711 0 40 GHAB O=C(Nc1ccccc1Cl)[C@H]1CSCN1C(=O)OCc1ccccc1 408736915 JRASWKQZPHEEDV-MRXNPFEDSA-N 376.865 3.990 0 40 GHAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 25712383 BCJWTAYMMCAQER-QGZVFWFLSA-N 396.459 3.779 0 40 GHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2SC)ccc1C 408622917 OCBWSDMFYGNLHU-UHFFFAOYSA-N 378.519 3.658 0 40 GHAB COc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCCC2)cc1 21911951 LCZAVHXQCMNXCF-HNNXBMFYSA-N 393.281 3.618 0 40 GHAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)N(C)C4CCCCC4)cc3)C(=O)[C@H]2C1 408684790 PLOIKRPPHXRLNL-PMACEKPBSA-N 380.488 3.937 0 40 GHAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(n2nnc3cc(F)ccc32)CC1 35314546 OJUZJAMTZOJDPE-UHFFFAOYSA-N 397.498 3.886 0 40 GHAB CC[C@H](NC(=O)N1CCc2ccccc21)[C@@H](c1ccc(C)cc1)n1cncn1 535218573 FUIIWTDLDUAZNJ-PZJWPPBQSA-N 375.476 3.727 0 40 GHAB COc1ccccc1CN1CCC[C@H]([C@H](NC(=O)C(C)C)c2nccs2)C1 72341411 HLSHJRUNUIEOPH-HKUYNNGSSA-N 387.549 3.877 0 40 GHAB CCOc1ccc2nc(NC(=O)CSc3ncccc3C(=O)O)sc2c1 35291030 MCMNCQQYHPHAGL-UHFFFAOYSA-N 389.458 3.519 0 40 GHAB O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)[C@@H]1COc2ccccc2O1 36630026 VDSVYCQDJPFPPO-JTQLQIEISA-N 398.227 3.883 0 40 GHAB Cc1cc(C(=O)Cn2cc(-c3ccccc3)ncc2=O)c(C)n1CC(F)(F)F 566610423 JSEAQSCXUUZWIL-UHFFFAOYSA-N 389.377 3.774 0 40 GHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 33572054 FAIYANDMGAQEEF-RXVVDRJESA-N 396.487 3.700 0 40 GHAB CC[C@H](Oc1ccccc1OC)C(=O)N(C)Cc1nc(-c2cccs2)no1 219570670 LIQGCMCXFRCQKE-ZDUSSCGKSA-N 387.461 3.623 0 40 GHAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72353813 RHXKHAMKNMLFNQ-NRFANRHFSA-N 395.522 3.922 0 40 GHAB CCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2s1 46058560 WOQXBOFFVUVNCY-UHFFFAOYSA-N 388.514 3.785 0 40 GHAB COC(=O)[C@@]1(Cc2ccccc2F)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 72340197 IHTDYAZQAUYTQQ-QMHWCDLVSA-N 381.447 3.534 0 40 GHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 44948076 XXXHEHHLVNOKAG-KRWDZBQOSA-N 387.432 3.595 0 40 GHAB CS(=O)(=O)N(CCCC(=O)NCC1CCCCC1)c1ccc(Cl)cc1 224633838 RDNFLMUDLXKIJK-UHFFFAOYSA-N 386.945 3.583 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c(C)c1C 223949368 KZQWZBGFDVWRFY-UHFFFAOYSA-N 388.489 3.548 0 40 GHAB Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)c1 225490793 RAKPFXBPUBNZQK-FQEVSTJZSA-N 396.531 3.933 0 40 GHAB CC(C)c1ccccc1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220475801 YBYSMSAPYPPOGG-AWEZNQCLSA-N 378.469 3.742 0 40 GHAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)COc1ccccc1C)CCCC2 224218842 AQBKHSROWRJAMA-INIZCTEOSA-N 389.517 3.628 0 40 GHAB CCCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Br 227153680 KOCVODZHHPQAEG-UHFFFAOYSA-N 380.286 3.709 0 40 GHAB COc1cccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 222788496 XZLDPVYPHGWXKP-UHFFFAOYSA-N 382.460 3.775 0 40 GHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 223289032 DRLCVYZRBBNDIO-VQTJNVASSA-N 383.565 3.532 0 40 GHAB O=S(=O)(Cc1ccccc1)Nc1nnc(SCc2ccccc2)s1 225384466 LNDIGTWLKCKBBW-UHFFFAOYSA-N 377.516 3.772 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C)cc1 222932795 QDIQCNOVRMQYIU-MRXNPFEDSA-N 388.895 3.581 0 40 GHAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(C(=O)O)cc1)SCC(O)=N2 95476151 KSPAORZZYDHFDG-QGZVFWFLSA-N 380.429 3.698 0 40 GHAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2O3)cc1 95476423 OKNPHPFDQRDVSI-UHFFFAOYSA-N 375.384 3.725 0 40 GHAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cnccn1)[C@@H]2Cc1ccccc1 257278058 OAOSVNXDLWJRCO-WGNYYXNJSA-N 390.531 3.565 0 40 GHAB COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(Cc4c[nH]cn4)CC3)CO[C@H]21 257234954 GVTUOPJHNZCOOZ-PZJWPPBQSA-N 397.519 3.949 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(N2CCC(OC)CC2)cc1 253402157 NZPZWOHQVXIQMJ-UHFFFAOYSA-N 397.475 3.521 0 40 GHAB CNC(=O)[C@@]1(c2ccccn2)CCCN(Cc2ccccc2OC2CCCC2)C1 257322587 WGPIEHICQIFNIF-DEOSSOPVSA-N 393.531 3.683 0 40 GHAB O=C(NC1(c2nc(-c3cccnc3)no2)CCCCC1)c1cc(F)ccc1F 90590628 QAOXJNIQKVPGEY-UHFFFAOYSA-N 384.386 3.999 0 40 GHAB Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cscc3C(F)(F)F)n2)c1 621978009 IQBPFAOEUWFTDQ-SECBINFHSA-N 381.383 3.746 0 40 GHAB Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCOc2cc(F)ccc2C1 629852825 BKNSXTJCHQVOQB-NSHDSACASA-N 399.388 3.726 0 40 GHAB Cc1csc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)n1 585103841 DDZIJBCEKUZEAC-IBGZPJMESA-N 387.549 3.825 0 40 GHAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C1(c2ccccc2)CCCC1 12141868 XRYQYQFTCMLZEW-HXUWFJFHSA-N 389.499 3.803 0 40 GHAB CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 12293694 GOXDKFVCTRRDGZ-VXKWHMMOSA-N 397.515 3.778 0 40 GHAB CCCCc1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)cc1 13582973 FCTKXLDAEWGLGE-UHFFFAOYSA-N 390.505 3.686 0 40 GHAB c1cncc(CN(CCN2CCOCC2)Cc2ccc(OC3CCCC3)cc2)c1 19338645 QHZFYQKBDNSXHN-UHFFFAOYSA-N 395.547 3.737 0 40 GHAB COc1ccc(CN2CCC(c3cc(C(=O)N4CCCCC4)on3)CC2)cc1 19555015 KDSDUQTZADHHBY-UHFFFAOYSA-N 383.492 3.689 0 40 GHAB CN1CCN(C(=O)C2CCC2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19589596 UKJKCEIQSOFIDE-NRFANRHFSA-N 376.500 3.613 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)NCCN3CC[C@H](c4ccccc4)C3)cc2)n1 19656079 WTKUVCKZCKMHDO-QFIPXVFZSA-N 388.515 3.708 0 40 GHAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)C(C)C)cc1 19694405 HEIIPTQENZDCNP-IBGZPJMESA-N 382.508 3.928 0 40 GHAB CN(C)Cc1cc([C@@H]2CCCN(C(=O)C3(c4ccccc4)CCCC3)C2)nn1C 19709037 CNODOVITHYZCSW-LJQANCHMSA-N 394.563 3.700 0 40 GHAB CCc1nc2ccccc2n1[C@@H](C)C(=O)NCc1nnc(-c2ccccc2)o1 19718465 URFZCDCQJBZTHQ-AWEZNQCLSA-N 375.432 3.526 0 40 GHAB Cc1cccc(OCCCn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)c1 19719954 WFMNNZBQWRECTP-UHFFFAOYSA-N 390.487 3.826 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 19935613 JTLXOXWRUJRZCI-UHFFFAOYSA-N 396.871 3.824 0 40 GHAB C[C@H](NC(=O)c1cnc(-c2ccccc2)[nH]c1=O)c1cccc(Br)c1 19937347 MFICFYRFSGDKDA-LBPRGKRZSA-N 398.260 3.690 0 40 GHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 205677926 XYXBMAMRAQJZBD-LDADJPATSA-N 397.452 3.865 0 40 GHAB O=C(C1CC1)N1CCC2(CCCCCc3ccccc3OCCCNC2=O)CC1 643589031 LXMMATNCKBVGPT-UHFFFAOYSA-N 398.547 3.707 0 40 GHAB COc1ccc2[nH]cc([C@@H](O)CN3CCC(Oc4cccc(F)c4)CC3)c2c1 19563186 OCVZLWKBMUUDHC-QFIPXVFZSA-N 384.451 3.892 0 40 GHAB CC(=O)NCc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1 24653446 QKGURZYXOSJNRJ-UHFFFAOYSA-N 379.504 3.585 0 40 GHAB O=C(CCc1ccccc1F)NC[C@](O)(c1ccsc1)c1cccs1 238839451 HMYVRKDOJGUENK-IBGZPJMESA-N 375.490 3.934 0 40 GHAB COc1ccc(CN2CCC[C@@]3(CC2)CC(=O)NCc2ccccc2N3)cc1 2037988772 HTEXFDOUGSTGDU-HSZRJFAPSA-N 379.504 3.552 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 3549795 MJQBCYKMOWCVBG-UHFFFAOYSA-N 390.486 3.739 0 40 GHAB Cc1ccc(Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3cccnc32)cc1 5055081 XTBBOODCFYOVDC-UHFFFAOYSA-N 391.858 3.617 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 5438625 QWKZWIGVZRDVKR-UHFFFAOYSA-N 378.881 3.831 0 40 GHAB CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cccc3ccccc23)[nH]c1=O 7421988 RZHPNXOUBGRQQN-UHFFFAOYSA-N 387.443 3.540 0 40 GHAB Cc1cccc(NC(=O)Nc2nc(CC(=O)NCc3ccccc3)cs2)c1 9625461 SZMPSMJMSJBQTL-UHFFFAOYSA-N 380.473 3.954 0 40 GHAB Cc1ccc2nc(NC(=O)c3ccc(=O)n(Cc4cccc(F)c4)n3)sc2c1 11781459 XVCJGUPBYJOVGI-UHFFFAOYSA-N 394.431 3.601 0 40 GHAB Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 12223809 ILUQBUSUMGGOAR-UHFFFAOYSA-N 392.434 3.679 0 40 GHAB COc1ccc(Cl)cc1-c1nnc2sc(-c3ccc4c(c3)OCO4)nn12 15108211 MCQUFGSOSNXLBB-UHFFFAOYSA-N 386.820 3.911 0 40 GHAB O=C(c1ccc(Br)cc1F)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1775975471 HOKHCRZXFKCDJF-STQMWFEESA-N 378.245 3.793 0 40 GHAB O=S(=O)(NCC1(c2cccs2)CCOCC1)c1ccc2c(c1)CCCC2 23238641 TYXYICKGCCYKBA-UHFFFAOYSA-N 391.558 3.654 0 40 GHAB Cn1cc([C@H]2CN(C(=O)Nc3nc4c(s3)CCCC4)Cc3ccccc32)cn1 575621070 XHQIICROBCVAPT-QGZVFWFLSA-N 393.516 3.935 0 40 GHAB O=C1Nc2ccc(S(=O)(=O)Nc3nc4ccccc4s3)c3cccc1c23 8716727 KEOGMZKTCPAFLT-UHFFFAOYSA-N 381.438 3.816 0 40 GHAB Cc1ccc(-n2c(S[C@@H]3CCCCNC3=O)nnc2-c2ccncc2)cc1C 22240844 KWFKXWVSPZOGBM-GOSISDBHSA-N 393.516 3.707 0 40 GHAB Cc1ccsc1CN(C)Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 40071612 HYLIJZJOCGFHLI-UHFFFAOYSA-N 390.509 3.609 0 40 GHAB C[C@H](Sc1nncs1)C(=O)NCc1cccnc1Oc1cccc(F)c1 40154483 GHSYCBRNYQHVLI-NSHDSACASA-N 390.465 3.662 0 40 GHAB C[C@@H](C(=O)Nc1cccc2ncccc12)N(C)CC(=O)Nc1ccccc1Cl 31000731 OKBOBDVZFUDZLH-AWEZNQCLSA-N 396.878 3.786 0 40 GHAB Cc1nc(C2(NCC(=O)N(Cc3cccc(F)c3)C(C)(C)C)CCCC2)no1 101550527 SMAUAUJTQDFADW-UHFFFAOYSA-N 388.487 3.703 0 40 GHAB COc1ccccc1CCN1C(=O)c2ccccc2N[C@@]12C(=O)Nc1ccccc12 101645774 ASLBQHSTYMQDKW-XMMPIXPASA-N 399.450 3.611 0 40 GHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc3ccc(F)cc3s2)c1 32837325 HOMFAEUQYPFCPN-UHFFFAOYSA-N 383.448 3.992 0 40 GHAB CSc1ncc(Cl)c(C(=O)NCc2ccc(F)cc2C(F)(F)F)n1 32930167 JARYXTYIWWGTNQ-UHFFFAOYSA-N 379.766 3.940 0 40 GHAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc1 1072183 AWVDJIYNTYQJMT-UHFFFAOYSA-N 394.924 3.558 0 40 GHAB COc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccc(O)cc2)cc1 873243 JRHJGHYACNRUCI-UHFFFAOYSA-N 399.472 3.692 0 40 GHAB COc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4OC)C3)n2)c1 1362425 SIJKLZTXLBXZRV-MRXNPFEDSA-N 393.443 3.774 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2C[C@@H]2CCCO2)c1C 1364622 ICXSNKCINLXMEV-INIZCTEOSA-N 386.521 3.682 0 40 GHAB CCCCCOC(=O)CSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3 1879666 BCRYOHRZJMYMFA-UHFFFAOYSA-N 395.550 3.950 0 40 GHAB O=C(NC1CCCCC1)[C@H]1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 3044441 SIJHCFMTFGFHOB-OAQYLSRUSA-N 392.455 3.561 0 40 GHAB Cc1cc(NC(=O)COC(=O)CSCc2ccc(Cl)c(Cl)c2)no1 3451281 QMKDBLAJHWLONL-UHFFFAOYSA-N 389.260 3.705 0 40 GHAB CC(C)Cn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc2c1=O 3493789 ITMISLCCZPPOCL-UHFFFAOYSA-N 399.491 3.600 0 40 GHAB COc1ccccc1CNC(=O)CSc1nnc(Nc2ccccc2)s1 3529042 OUCFRHPXRZPIPD-UHFFFAOYSA-N 386.502 3.699 0 40 GHAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3COc4ccccc4O3)n2)cc1 3621482 PODVYANZCRJTNC-GOSISDBHSA-N 395.440 3.547 0 40 GHAB Cc1ccc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 3656296 DFRIAFWHOVIENR-UHFFFAOYSA-N 393.472 3.796 0 40 GHAB CCCSc1nnc(CNC(=O)c2cccc(F)c2)n1-c1ccc(F)cc1 4059330 DSTWPKMKJSCKOR-UHFFFAOYSA-N 388.443 3.978 0 40 GHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCCOc2cccc(C)c2)c1 4244492 WSULTFRQBANJFO-QGZVFWFLSA-N 383.444 3.927 0 40 GHAB CCOc1ccc(OCC(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1 4341918 ITQRWSFOXLIIMY-UHFFFAOYSA-N 375.494 3.801 0 40 GHAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 4373477 YXAVXNIVLIOEAV-LJQANCHMSA-N 375.432 3.523 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)n1 4512939 XIHZFXUSINJCRW-WDMOLILDSA-N 392.912 3.531 0 40 GHAB Cc1ccccc1OCCn1cc(C(=S)N2CCN(C)CC2)c2ccccc21 4607824 VEJZRVBLKGZKPW-UHFFFAOYSA-N 393.556 3.952 0 40 GHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1C[C@@H](C)C[C@H](C)C1 4860317 WAUKQBSIVYNPOP-IHRRRGAJSA-N 389.471 3.789 0 40 GHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1 4865386 AUZXCBSJUBVRAU-UHFFFAOYSA-N 392.480 3.999 0 40 GHAB O=C(c1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 5026127 IEAUKUYKFDZLMB-QGZVFWFLSA-N 398.311 3.823 0 40 GHAB CC(=O)Nc1ccc(C(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)cc1 5060004 KCQBABKFYXVBHT-YCRPNKLZSA-N 396.516 3.980 0 40 GHAB CCc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)cc1 5252849 QISMKEDXQMBIQR-UHFFFAOYSA-N 391.471 3.515 0 40 GHAB CC[C@@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1Cc1ccccc1 5269052 UWOJEHCGQKXVJQ-MRXNPFEDSA-N 388.471 3.534 0 40 GHAB CCOc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1OCC 5400706 MSHFVHFCLNBJDM-UHFFFAOYSA-N 396.443 3.690 0 40 GHAB C[C@@H](OC(=O)/C=C/c1ccc(Br)o1)C(=O)N[C@H]1CCCC[C@H]1C 6066238 FPNMRCDCKBEDQR-QFYCJSDHSA-N 384.270 3.682 0 40 GHAB CCn1c(CSc2nc3ccccc3s2)nnc1S[C@@H](C)C(=O)OC 6140586 PGRZGNZYWCLZTP-JTQLQIEISA-N 394.547 3.854 0 40 GHAB CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1cc(F)ccc1C)C(F)(F)F 6350261 IUDXUXUEUNJGNE-SFHVURJKSA-N 398.356 3.798 0 40 GHAB CCc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(=O)NC2=S)cc1 6351040 HKBXQALVTFYSBH-LDADJPATSA-N 389.480 3.572 0 40 GHAB Cc1c(CC(=O)NCCCN(C)C)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 6660935 YRZUIDFIMRZJSR-UHFFFAOYSA-N 398.503 3.756 0 40 GHAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(O)c(OCC)c1 6881562 KJALYBRTULCPSG-LJQANCHMSA-N 379.412 3.853 0 40 GHAB CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc([N+](=O)[O-])c1O 6958963 DPCVODWVAMZVQI-MIQHFYGNSA-N 393.465 3.788 0 40 GHAB Cc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)c1C 7283229 YLXLJNBRFCHTFM-XHDPSFHLSA-N 392.521 3.565 0 40 GHAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCCCC2)cc1 7780581 WSIYODWHNHRZMS-UHFFFAOYSA-N 381.476 3.762 0 40 GHAB CCc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)cc1 7976113 UTPYFVLHQVZGLV-UHFFFAOYSA-N 377.444 3.823 0 40 GHAB Nn1cc(-c2ccccc2)nc1SCc1nc2ccc(Cl)cc2n1CCO 8393568 QMUYJWYBHDEYTI-UHFFFAOYSA-N 399.907 3.552 0 40 GHAB COc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 8729136 UFOHMRXURLUIQI-MRXNPFEDSA-N 397.519 3.890 0 40 GHAB COc1ccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 9062731 YWAZNAXBTWIGRT-UHFFFAOYSA-N 384.495 3.795 0 40 GHAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 9063465 LRQYBYLILKSWPH-UHFFFAOYSA-N 384.451 3.853 0 40 GHAB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)NC(=O)Nc1ccccc1 9118060 LPAOQWBRIQHZPH-NSHDSACASA-N 397.485 3.773 0 40 GHAB O=C(c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCCCC1 9515092 UGOKGYAYHRSIBM-UHFFFAOYSA-N 396.871 3.906 0 40 GHAB COc1ccc(NC(=O)[C@H](Sc2nc3sccc3c(=O)[nH]2)C(C)C)cc1 9691178 MLNCVDPVSKRDIR-CQSZACIVSA-N 389.502 3.749 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1 9859942 CEQQDGHOYKBEHR-UHFFFAOYSA-N 375.472 3.931 0 40 GHAB COc1cc(OC)c(NC(=O)COC(=O)Cc2ccccc2Cl)cc1Cl 11653823 UHLNIOLOIXDWNP-UHFFFAOYSA-N 398.242 3.735 0 40 GHAB Cc1cc(-c2snnc2C2CCN(C(=O)Cc3cccc(F)c3)CC2)on1 12224093 VNOVHBIQZTWFIJ-UHFFFAOYSA-N 386.452 3.589 0 40 GHAB COc1cc(Nc2ccc(NC(=O)c3cccc(OC)c3OC)cc2)nc(C)n1 12225217 ZAIHRCHANXTMBK-UHFFFAOYSA-N 394.431 3.807 0 40 GHAB O=C(c1c(F)cccc1Cl)N1CCC[C@H](c2noc(-c3ccccn3)n2)C1 12292018 ZCVJMAWUMJQXLJ-LBPRGKRZSA-N 386.814 3.944 0 40 GHAB O=C(NCCc1ccccn1)c1cc(Br)c(Br)s1 12536659 QIIGSWFSVFSHCS-UHFFFAOYSA-N 390.100 3.641 0 40 GHAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)N1CCC(c2ccccc2)=N1 12750411 QEMKYBMRHVWCON-UHFFFAOYSA-N 386.499 3.984 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)CCC(C)C)c1 12799617 AIKCOGWFGLDWSF-AWEZNQCLSA-N 388.961 3.925 0 40 GHAB C[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C)c1ccc2c(c1)CCCC2 12862433 KRDRMWBSSJDZSQ-IAGOWNOFSA-N 391.515 3.980 0 40 GHAB O=C(N[C@H]1CCc2ccccc21)c1nn(Cc2ccccc2)c(=O)c2ccccc12 12977638 MFTYYVHXDHUJQK-QFIPXVFZSA-N 395.462 3.862 0 40 GHAB COc1cc(CC(=O)Nc2cc(Cl)ccc2N(C)C)cc(OC)c1OC 13095756 HMXPKDISQGHPDT-UHFFFAOYSA-N 378.856 3.613 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1Cc1ccncc1 13206956 MSWPRHRDQYFRAD-HXUWFJFHSA-N 384.391 3.639 0 40 GHAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cc(OC)cc(OC)c1 13479881 DADKDTPXGWTMGE-UHFFFAOYSA-N 394.471 3.906 0 40 GHAB Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)N3CCN4CCC[C@H]4C3)c12 13642205 ORTYBRSSOJXZFX-INIZCTEOSA-N 396.878 3.772 0 40 GHAB CCOc1ccc(CNC(=O)c2ccc(I)cc2)cc1 13675214 SDCKPOSRWGCILZ-UHFFFAOYSA-N 381.213 3.620 0 40 GHAB COc1cccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)c1 14139098 WCYJWSNJSKPFEV-UHFFFAOYSA-N 382.441 3.771 0 40 GHAB COc1ccc([C@H](CNC(=O)c2cc(Br)ccc2F)N(C)C)cc1 14165167 MBRNPPGODOUXAT-KRWDZBQOSA-N 395.272 3.630 0 40 GHAB COc1ccc2cc([C@@H](C)C(=O)NC[C@@H]3COc4ccccc4O3)ccc2c1 14182006 RYWIYOKOKLLRGH-FOIQADDNSA-N 377.440 3.908 0 40 GHAB O=c1/c(=C\c2ccc(Cl)cc2Cl)sc2nc(-c3cccs3)nn12 16733839 ABMXMAOUJYGUSJ-WUXMJOGZSA-N 380.281 3.734 0 40 GHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 16779287 PGUDPWXKMSDAIU-QGZVFWFLSA-N 382.485 3.547 0 40 GHAB COc1ccc(CN2CCC[C@@H](c3noc(-c4cnc(C)cn4)n3)C2)c(C)c1C 19239028 KNBSSPPZWSWDTG-GOSISDBHSA-N 393.491 3.840 0 40 GHAB Fc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1 19332603 UMPKSFWBTFBFRL-OAQYLSRUSA-N 398.530 3.577 0 40 GHAB CCN1CCC[C@H]1CN(Cc1ccc(N2CCCC2=O)cc1)Cc1ccccn1 19527128 SJCLZNYFZGJVQL-QHCPKHFHSA-N 392.547 3.695 0 40 GHAB CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1cccn1-c1ccncc1 19527161 WBFOYEVIEONDNU-JOCHJYFZSA-N 375.520 3.754 0 40 GHAB Cc1nc(C)c(C(=O)N[C@H]2CCCc3c2cnn3Cc2cccc(Cl)c2)o1 19559388 WODCAHTXCMRCAP-KRWDZBQOSA-N 384.867 3.997 0 40 GHAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CC=CCC2)[nH]c(=O)c1Cc1ccccc1 19579177 JXTWTRFSKZJMIR-QUCCMNQESA-N 377.488 3.689 0 40 GHAB Cc1c(CN2CC[C@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cnn1C 19704538 AAYHCOKGWOKUIC-HNNXBMFYSA-N 385.899 3.674 0 40 GHAB Cc1ccc(C(=O)NC(NCc2ccco2)(C(F)(F)F)C(F)(F)F)cc1 19938845 YNVCLCIDTKJPAV-UHFFFAOYSA-N 380.288 3.929 0 40 GHAB CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1nc2ccccc2s1 23053977 OPPBVVXDYRFRHX-CQSZACIVSA-N 383.473 3.795 0 40 GHAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCOCC1 23182625 RXORUYSBLFGGNO-DYVFJYSZSA-N 379.913 3.985 0 40 GHAB C[C@H](OC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@@H](C)c1ccccc1 23328864 JLQZHUOWGLFTRU-MSOLQXFVSA-N 376.456 3.943 0 40 GHAB Cc1ccccc1/C=C/C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 24178027 GLHZPXGOKHFXTH-ZHACJKMWSA-N 377.513 3.962 0 40 GHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(-c2ccco2)on1 24564589 BYKYQWUKZXQYSI-QGZVFWFLSA-N 388.427 3.987 0 40 GHAB Cc1nc(Nc2ccc(O)c(C(=O)O)c2)nc(O)c1Cc1ccc(Cl)cc1 25497853 NIYMSKKRKVIPQR-UHFFFAOYSA-N 385.807 3.882 0 40 GHAB O=C(NCc1ccccn1)c1ccc(COc2ccccc2Br)o1 27971045 QPPXXUMILZKYFU-UHFFFAOYSA-N 387.233 3.946 0 40 GHAB C[C@@H]1CCCN(C(=O)c2ccn(COc3ccc(Br)cc3)n2)C1 27973028 DBHFNPRKXSTCPL-CYBMUJFWSA-N 378.270 3.554 0 40 GHAB Cc1cc(NC(=O)[C@H]2CCCN2Cc2ccccc2)n(-c2ccc(F)cc2)n1 28246659 TVMNSBYTZLWZTM-HXUWFJFHSA-N 378.451 3.923 0 40 GHAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cn2nc(C3CC3)n(C3CC3)c2=S)C1 28816936 VUWNXPVVUSKBTR-MRXNPFEDSA-N 397.548 3.935 0 40 GHAB OCCOc1ccc(CNCCc2c[nH]c3ccccc23)c(Br)c1 29654889 RCFOHPSBVUBDKW-UHFFFAOYSA-N 389.293 3.634 0 40 GHAB CN1CCN(C(=O)c2ccc(Br)cc2F)[C@@H](c2ccccc2)C1 30030140 SZXDJQVZSMRAOZ-QGZVFWFLSA-N 377.257 3.717 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 30366856 AKNYHOCZYNIDPS-QGZVFWFLSA-N 378.881 3.689 0 40 GHAB CCN(CC)C[C@H](NC(=O)NCc1ccc(OC)c(OC)c1)c1ccccc1 30995973 ATYHVOGRAFZCAA-IBGZPJMESA-N 385.508 3.586 0 40 GHAB Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl 31663702 IWENUJGAYVAHKT-UHFFFAOYSA-N 377.893 3.940 0 40 GHAB CCOC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2cccs2)cc1 32769209 KJQMBEWMROVVRJ-FUHWJXTLSA-N 375.490 3.502 0 40 GHAB C[C@H](NC(=O)CNc1cccc(Cl)c1N1CCOCC1)c1cccs1 32770417 QJTVTBNEGYCCGR-ZDUSSCGKSA-N 379.913 3.527 0 40 GHAB O=[S@@](CCOc1ccc(F)cc1)Cc1nc(-c2cccc(Cl)c2)no1 32801159 BPSNFDWSXQQCIJ-RUZDIDTESA-N 380.828 3.857 0 40 GHAB COC(=O)c1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)s1 32903969 DKRLHSWUEVJENA-SFHVURJKSA-N 389.473 3.823 0 40 GHAB CCN1CCN(Cc2ccc(NC(=O)c3cn(C)c4ccccc34)cc2)CC1 32916034 JUEFNPSQNQKXFI-UHFFFAOYSA-N 376.504 3.568 0 40 GHAB CC(=O)Nc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1 33326289 KWXZIEPCYAYQGQ-UHFFFAOYSA-N 381.457 3.862 0 40 GHAB Cc1[nH]/c(=N\C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)sc1C 36593518 CEGITUSLPZZYMV-GOSISDBHSA-N 377.469 3.518 0 40 GHAB NC(=O)Cc1csc(NC(=O)CCc2cccc(Oc3ccc(F)cc3)c2)n1 38679534 BOYIPLDREWWORK-UHFFFAOYSA-N 399.447 3.674 0 40 GHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(C)C[C@@H]1c1ccccc1 40013024 VWISOAOAQSXFOM-JOCHJYFZSA-N 382.552 3.604 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1C 40086395 HENCQWMXTVZOCY-OAHLLOKOSA-N 395.434 3.867 0 40 GHAB COc1ccc(S[C@H](C)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 40152403 LZUOIAXXLLWUEP-KUHUBIRLSA-N 376.497 3.734 0 40 GHAB CC(C)N1CCC(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 47430201 ZNKMKHAJNWUSLL-UHFFFAOYSA-N 380.536 3.879 0 40 GHAB O=C(NCC1(c2ccccc2)CC1)C1CCN(C(=O)CCc2ccccc2)CC1 47444693 WRNUVWQDUCNBFT-UHFFFAOYSA-N 390.527 3.706 0 40 GHAB CCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl 57487838 NTVXMVAWZWAGSE-UHFFFAOYSA-N 393.921 3.719 0 40 GHAB CSc1cccc(NC(=O)CN2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 58063040 AUAZGDKORWEWSD-INIZCTEOSA-N 393.553 3.726 0 40 GHAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@H](c3ccccc3)n3cccc3)nc21 62021928 YHRZGLJNJCTQQV-QAPCUYQASA-N 395.484 3.766 0 40 GHAB COC(=O)/C(=C\Nc1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1 67340297 SGEDQHBOMZDXFH-OQLLNIDSSA-N 387.791 3.518 0 40 GHAB COc1cccc(CNC(=O)N2CCCC[C@H]2c2nc(-c3ccncc3)no2)c1 67350666 BVVXCMXKCMBNMW-SFHVURJKSA-N 393.447 3.577 0 40 GHAB O=C(NCCn1c(=O)oc2ccccc21)C(c1cccs1)c1cccs1 72343120 ZSFOFKQIICBUIC-UHFFFAOYSA-N 384.482 3.666 0 40 GHAB O=C(c1cnccn1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359525 QXAYSRZKRWRQDR-UHFFFAOYSA-N 379.851 3.607 0 40 GHAB COc1ccccc1OCCc1cc([C@@H]2CCN(C(=O)c3ccccc3)C2)n[nH]1 72371221 IEHXKTDIXUHMMN-GOSISDBHSA-N 391.471 3.670 0 40 GHAB COc1ccccc1-c1nc(CN2CCN(c3ccc(O)cc3)CC2)cs1 89483971 YVGBGIQPNQZBRZ-UHFFFAOYSA-N 381.501 3.847 0 40 GHAB CC(=O)N1CCN(c2ccccc2CN(Cc2ccc(F)cc2)CC2CC2)CC1 93480019 ZTZNBWNFSFSLRB-UHFFFAOYSA-N 395.522 3.906 0 40 GHAB Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)cc1 95424301 QOUMHRMXVDBLSX-GOSISDBHSA-N 375.428 3.509 0 40 GHAB Cc1noc(C)c1CN1CCC[C@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 96216034 LQHAJEZZABWAEI-QHCPKHFHSA-N 392.503 3.901 0 40 GHAB Brc1cccc(N2CC[C@H](CNc3ncnc4ncccc34)C2)c1 97020941 RGYYEMKFHAQKEK-CYBMUJFWSA-N 384.281 3.726 0 40 GHAB C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)C1 100116014 ACHZRINMTVBHMB-HSOGODOLSA-N 381.520 3.623 0 40 GHAB COc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)Nc2cccc(OC)c2)c1 100519923 SBXLHOXIAJLQSU-LATRNWQMSA-N 392.455 3.719 0 40 GHAB Cc1cc2oc(=O)cc(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2cc1Cl 100654756 ADLODLYFZNNLGR-HOCLYGCPSA-N 396.874 3.536 0 40 GHAB biogenic CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)CCc3ccccc3)CC2)nn1C 100687638 YZOIDRDVSXLSGP-SZPZYZBQSA-N 396.579 3.847 0 40 GHAB Cc1ccc(C)c(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c1 102550036 KPCQDKSYDLLKTI-USNOLKROSA-N 387.435 3.834 0 40 GHAB C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(Br)o1)[C@H]1C[C@H]2CC[C@H]1C2 108335303 KJFXYJGNXRYXOF-YPEUTBLJSA-N 396.281 3.539 0 40 GHAB COC(=O)N(C)CCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cn1 108679125 FPYTXAYXPNYNKU-UHFFFAOYSA-N 384.461 3.775 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O 113967947 UWUBZXXMKODHQA-MAUKXSAKSA-N 392.496 3.556 0 40 GHAB O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1cc2ccccc2oc1=O 207966215 CCINLQSVANSUNX-SFHVURJKSA-N 397.477 3.928 0 40 GHAB Cc1ccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222748279 MNCAEVUWFQEKNI-GOSISDBHSA-N 382.504 3.706 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 222945543 JXOOPMONMPNCNE-NRFANRHFSA-N 384.495 3.743 0 40 GHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C 222947258 CTXUOGJZGBNDTK-LJQANCHMSA-N 382.504 3.707 0 40 GHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1cc(OC)c(OC)c(OC)c1 222967814 WSKKLZRTXXHFAZ-KRWDZBQOSA-N 387.476 3.803 0 40 GHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 223578708 GKQMDAWLRLMGTC-LJQANCHMSA-N 382.504 3.544 0 40 GHAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223659034 CKHLRRHHIACAIE-UHFFFAOYSA-N 389.473 3.768 0 40 GHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C 224599314 ICWVCKPPZGOCNL-UXHICEINSA-N 378.501 3.920 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1 225419597 ZHJGBTODXSLJKC-MOPGFXCFSA-N 396.531 3.878 0 40 GHAB Cc1cccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@H](C)C(=O)NC(C)C)c1 225508060 WKCMRXCKXLUNRA-HXUWFJFHSA-N 396.531 3.933 0 40 GHAB Cc1cccc(N2CCN(C(=O)Cc3cccc(Br)c3)CC2)c1C 225619726 NSQDICPJNRKLQK-UHFFFAOYSA-N 387.321 3.957 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)NCC(C)(C)C)cc2)cc1 225983053 GVUMKPAKUGRTFI-UHFFFAOYSA-N 388.533 3.525 0 40 GHAB COc1cc(NC(=O)c2cccc(Br)c2)cc2sc(NN)nc12 226310076 QZKBSRAVPGMBIX-UHFFFAOYSA-N 393.266 3.605 0 40 GHAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cncs3)C2)o1 257210672 BVQRLCCHVWGMGO-OAHLLOKOSA-N 383.473 3.750 0 40 GHAB CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2n[nH]c3ccccc23)n1 257301390 RYHDCJDAINKZOR-QGZVFWFLSA-N 377.492 3.651 0 40 GHAB O=C(c1cccs1)N1CC[C@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306123483 AOQFVXNXIAALFU-FQEVSTJZSA-N 383.448 3.566 0 40 GHAB CN1CCN(Cc2ccc(F)cc2)C[C@H]1c1cn2c(N3CCCC3)cccc2n1 306131025 JVBRQEFZCNUEMD-NRFANRHFSA-N 393.510 3.562 0 40 GHAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccccc3OC(C)C)CC2=O)c1C 408708367 PPENGJWAJHGHGP-IBGZPJMESA-N 380.488 3.760 0 40 GHAB O=C(NCCc1cn2ccccc2n1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 572096298 UZDCUODOWHMSII-IBGZPJMESA-N 388.475 3.690 0 40 GHAB Cc1cccc(NC(=O)C(=O)NC[C@H](O)c2ccc(-c3ccsc3)cc2)c1C 575611452 VINJQWGUKJHPEK-FQEVSTJZSA-N 394.496 3.820 0 40 GHAB O=C1CC[C@]2(CCCN(Cc3ccc4c(c3)CCC4)CC2)N1C[C@@H]1CCCO1 585099817 CLQKNKRDZVNVIB-UPVQGACJSA-N 382.548 3.701 0 40 GHAB COCCN1CCC[C@@]12CCCN(C(=O)c1cc3ccccc3cc1O)CC2 585100311 JYSGBDDWJXLUAC-HSZRJFAPSA-N 382.504 3.653 0 40 GHAB Cc1c(C(=O)N2CCC[C@H](C3CCNCC3)C2)cnn1-c1ccc(Cl)cc1 662600704 VISPKXWKJKLMBD-KRWDZBQOSA-N 386.927 3.686 0 40 GHAB COc1cccc2cc(C(=O)NCCc3ccc(-c4ccnn4C)cc3)oc12 1889279680 UOPPEJDGSIBRHY-UHFFFAOYSA-N 375.428 3.814 0 40 GHAB CNc1nc(C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cn2cccc12 2037838313 CMPDKJYMLLPFMD-UHFFFAOYSA-N 377.492 3.714 0 40 GHAB Cc1cc(C)n(-c2nnc(SCC(=O)NC3CCCCC3)c3ccccc23)n1 1366879 QRSVWXCICZMVDT-UHFFFAOYSA-N 395.532 3.973 0 40 GHAB CC(C)COc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 2107940 PNQHONFIHAEHLR-FQEVSTJZSA-N 380.444 3.628 0 40 GHAB biogenic COC(=O)c1ccc(NC(=S)NC(=O)c2c(-c3ccccc3)noc2C)cc1 2224384 BJBAGHGRFMECIR-UHFFFAOYSA-N 395.440 3.563 0 40 GHAB CC(C)(C)NC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 3246684 DTVAAXBNRYLLQY-UHFFFAOYSA-N 395.381 3.916 0 40 GHAB CCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CCCCC1 3312295 SUOZQCSLLAFDJS-UHFFFAOYSA-N 376.316 3.801 0 40 GHAB CCOc1ncccc1C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC 3447405 QYHAMQKIDQFAEB-UHFFFAOYSA-N 384.354 3.777 0 40 GHAB CCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 3477287 SASKQNKDPVFHHG-UHFFFAOYSA-N 381.501 3.621 0 40 GHAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OCC)cc3)cc2)CC1 4109430 AIPWGQAEVYTQBD-UHFFFAOYSA-N 395.503 3.786 0 40 GHAB Cc1ccc(C)c2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc12 4292212 MESADALDHZDWFQ-UHFFFAOYSA-N 379.441 3.819 0 40 GHAB O=C(NCCc1nc2ccccc2n1CCOc1ccccc1)c1ccco1 4386814 BXAACALGYBKTSO-UHFFFAOYSA-N 375.428 3.681 0 40 GHAB CC(C)NC(=O)N(O)[C@@H]1N(CCc2ccccc2F)C(=S)SC1(C)C 4732549 MYIASNOLAQUDRU-AWEZNQCLSA-N 385.530 3.616 0 40 GHAB Cc1cc2oc(=O)cc(COC(=O)c3ccc(N4CCCC4=O)cc3)c2cc1C 4890697 UCOAQPNWTUUOOK-UHFFFAOYSA-N 391.423 3.894 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccc(O)cc2O)c(C)n1CCc1cccs1 5197157 BKEXFHNUOQWABO-UHFFFAOYSA-N 399.468 3.860 0 40 GHAB COc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2N)cc1F 5321072 CKHWQABAOBTMIW-UHFFFAOYSA-N 388.468 3.628 0 40 GHAB O=C(CSC1=Nc2ccccc2CS1)NC[C@H]1COc2ccccc2O1 5325752 JSXFOVDEMCMTAI-AWEZNQCLSA-N 386.498 3.610 0 40 GHAB C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(-n2cncn2)cc1 6540966 YONOGKVOXNVUGV-LBPRGKRZSA-N 375.259 3.994 0 40 GHAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(SC)c2)C1 6652969 WTYMGYLLRFVMQO-CQSZACIVSA-N 398.484 3.577 0 40 GHAB COc1cc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C)cc2)cc(OC)c1OC 6747976 AIYUZRSRPBVXHO-IBGZPJMESA-N 399.487 3.842 0 40 GHAB CCCN1C(=O)[C@](Nc2cc(C)ccn2)(C(F)(F)F)N=C1c1ccccc1 6760164 CHABCCITBKYNPV-GOSISDBHSA-N 376.382 3.760 0 40 GHAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 6779249 YPTUIPGUSHXWSK-QFBILLFUSA-N 388.533 3.545 0 40 GHAB COc1ccc(Cc2nnc(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)o2)cc1 6787171 WCGJXNXFEUZSGE-UHFFFAOYSA-N 399.472 3.792 0 40 GHAB N#CCn1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 7098444 LYEHDGMZSKOQPO-GZTJUZNOSA-N 376.803 3.916 0 40 GHAB O=C(COc1ccccc1-c1ccccc1)OCN1C(=O)c2ccccc2C1=O 7814711 VGUQCPNNQLJSOT-UHFFFAOYSA-N 387.391 3.529 0 40 GHAB CC(C)Cn1c(SCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc21 8013428 SFIJBCUCVCWOAY-UHFFFAOYSA-N 380.473 3.837 0 40 GHAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccc2c(c1)OCCO2 8225943 VFHCATDTLIIDSW-GFCCVEGCSA-N 378.831 3.709 0 40 GHAB COc1ccc2[nH]c(SCc3nc(-c4c(OC)cccc4OC)no3)nc2c1 8306758 GZZYTKDMFKYWNZ-UHFFFAOYSA-N 398.444 3.931 0 40 GHAB Cc1ccc2oc(C(=O)NCc3ccccc3CN3CCCC3)cc(=O)c2c1 8314023 HDTREKCMUAVVIK-UHFFFAOYSA-N 376.456 3.627 0 40 GHAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)c1 8414892 ZTSJGIIIWNWODE-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 8475356 FMQGLHYUJAJZFX-UHFFFAOYSA-N 385.272 3.703 0 40 GHAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1S(=O)(=O)NC(C)C 8475882 UMIXBRFFYDLTAY-UHFFFAOYSA-N 396.896 3.596 0 40 GHAB CC(C)Sc1ccccc1C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 8500066 OBMLUPSWFZREMG-UHFFFAOYSA-N 378.519 3.835 0 40 GHAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCC1)c1ccc(F)c(Cl)c1 8899681 WRYNBAZINWDUBY-INIZCTEOSA-N 388.917 3.656 0 40 GHAB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)NC2=O)cc1OC 9360883 BOMPMINAMKLQDX-VGOFMYFVSA-N 377.227 3.928 0 40 GHAB Cc1cc(-n2c(C)cc(C(=O)COc3ccc(N4CCCC4=O)cc3)c2C)no1 9376959 KNZOMZAQTRYVIL-UHFFFAOYSA-N 393.443 3.779 0 40 GHAB CCc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9377486 DQFSCEWHKZNPRU-GOSISDBHSA-N 391.471 3.734 0 40 GHAB Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1cccc(Cl)c1 9426306 NVMOXKHBEKBQFT-UHFFFAOYSA-N 394.906 3.649 0 40 GHAB COc1cc(NC(=O)[C@H](C)Sc2nc3cc(Cl)cnc3[nH]2)cc(OC)c1 9553020 XCNDVFIQDPEIQE-VIFPVBQESA-N 392.868 3.748 0 40 GHAB Cc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 10112387 OLCKYIOIWMFEGM-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1 10128264 AKPBPLBYNCVHSR-OAQYLSRUSA-N 394.496 3.523 0 40 GHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(Sc2nccn2C)cc1 10424324 ZCQMQZQWTIYKNC-UHFFFAOYSA-N 390.472 3.713 0 40 GHAB COc1ccc(CCNc2c(-c3ccccc3O)nc3cnccn23)cc1OC 12113757 SKZVKQBMSSOZMD-UHFFFAOYSA-N 390.443 3.774 0 40 GHAB CCc1cccc(C)c1NC(=S)NC(=O)CCC(=O)OCCc1ccccc1 12137261 VGXJMFLZUCJYHE-UHFFFAOYSA-N 398.528 3.937 0 40 GHAB COc1ccc(OC)c(CC(=O)NC2(c3ccc4c(c3)OCO4)CCCC2)c1 12155551 DJNPDDIRCGBUOV-UHFFFAOYSA-N 383.444 3.561 0 40 GHAB CC(C)(C)c1cn2nc(N3CCC[C@@H](C(=O)Nc4ccccc4)C3)sc2n1 12740776 BSNMXJLFHSMZJX-CQSZACIVSA-N 383.521 3.943 0 40 GHAB O=C(CCN1CCC[C@@H]1c1cccs1)Nc1ccccc1C(=O)NC1CC1 12745849 PXWZRSDEVQIVAV-GOSISDBHSA-N 383.517 3.806 0 40 GHAB c1ccc(-c2nnn(CN3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cc1 12799187 PPWPHKWUGRBZTQ-MRXNPFEDSA-N 376.489 3.787 0 40 GHAB CCOCCCNC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12849873 ZYKLONQZEIHZHJ-UHFFFAOYSA-N 384.520 3.998 0 40 GHAB COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(Br)s2)cc1 12876465 RZEGYAHRILPFMP-NSHDSACASA-N 383.311 3.978 0 40 GHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1Cl 12891416 WPXJHTLRJGWKDN-LBPRGKRZSA-N 378.881 3.901 0 40 GHAB COc1cc(C(=O)NCc2ccccc2CN2CCCCC2)cc(OC)c1C 12908488 RETBVKOXKJSVCL-UHFFFAOYSA-N 382.504 3.928 0 40 GHAB CC(=O)c1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCC2)cc1 12982292 RPRIZLZGULEYLO-UHFFFAOYSA-N 391.876 3.878 0 40 GHAB Cc1ccc(-c2nnc(S)n2CC(=O)NCCc2cccc(Cl)c2)cc1 12997452 CKUOMBUMUDTYBE-UHFFFAOYSA-N 386.908 3.555 0 40 GHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(Cl)o1 13006475 FVSAICNSDSBVHL-UHFFFAOYSA-N 385.645 3.715 0 40 GHAB CCc1cccc(CC)c1NC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 13571761 VUQZOWHNVAUKOW-QAPCUYQASA-N 381.545 3.789 0 40 GHAB biogenic CC(=O)Nc1ccc(CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1 14527320 PTTACFDUJWJSIA-UHFFFAOYSA-N 386.521 3.515 0 40 GHAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CCNC(=O)c2ccco2)n1 14595340 JJTUZEFGHJKHAO-UHFFFAOYSA-N 394.456 3.951 0 40 GHAB CCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)C[C@H](c1ccco1)C3 14607789 YUVHPQCMXBCWHO-CYBMUJFWSA-N 388.427 3.868 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 14861959 KFYCQXVYTZDETK-UHFFFAOYSA-N 395.422 3.579 0 40 GHAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc3cc(F)ccc3s2)c1 15633221 WPQXJEHPYOCEMD-UHFFFAOYSA-N 378.450 3.543 0 40 GHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(F)cc3)sc2c1 16321479 KWFBXYQMXDZCDK-UHFFFAOYSA-N 388.449 3.521 0 40 GHAB Cc1cc(=O)oc2cc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)ccc12 18119993 IVDKPYCCCYPCGV-UHFFFAOYSA-N 396.468 3.654 0 40 GHAB Cc1cc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)on1 19119731 YCNPBJNQOWIEOJ-UHFFFAOYSA-N 378.354 3.898 0 40 GHAB Cc1ccc2nc(Cc3ccc(NC(=O)[C@H]4CC(=O)N(C(C)C)C4)cc3)[nH]c2c1 19659617 DXJYXULXUQHUKJ-KRWDZBQOSA-N 390.487 3.658 0 40 GHAB Cc1nn(C)cc1CN1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccccc1 19689535 HZSJIJIQZZKRTA-FQEVSTJZSA-N 376.508 3.589 0 40 GHAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1sc2ccccc2c1Cl 19902036 OMDZKEFOKSORCO-CQSZACIVSA-N 390.892 3.951 0 40 GHAB CCCCOC(=O)c1ccc2[nH]/c(=N\C(=S)NC(=O)C(C)(C)C)sc2c1 20411591 SNGLITRQYXGCOS-UHFFFAOYSA-N 393.534 3.534 0 40 GHAB COc1ccc([C@H]2SC=C3Sc4nnc(C(F)(F)F)n4N32)cc1OC 20730167 XOKXPOPCRWAYEV-LLVKDONJSA-N 388.396 3.602 0 40 GHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc(F)c(F)cc1Cl 21709284 LNTGDKOAMNRQNV-UHFFFAOYSA-N 380.822 3.727 0 40 GHAB O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1cccc(Br)c1 22455979 GBKREBYHKOVIAJ-UHFFFAOYSA-N 394.212 3.946 0 40 GHAB O=C(NCCCn1cc(Br)cn1)Nc1cccc(C(F)(F)F)c1 28229495 HEZQBLLQNLQXEQ-UHFFFAOYSA-N 391.191 3.876 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C(C)(C)C 32601608 AKYWBPSVPADNBR-UHFFFAOYSA-N 377.462 3.882 0 40 GHAB O=S(=O)(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc2c(c1)CCCC2 32776769 XPPSUUVXQNKGON-FQEVSTJZSA-N 387.501 3.924 0 40 GHAB Cn1c(-c2ccco2)nn(CN2CCC(CN3CCCCCC3)CC2)c1=S 32926900 WTVUEHJGCCCZSK-UHFFFAOYSA-N 389.569 3.757 0 40 GHAB CCN(C(=O)[C@H](C)S(=O)(=O)Cc1ccc(F)cc1Cl)c1ccccc1 36396437 JTWJTWRKPDKFSN-ZDUSSCGKSA-N 383.872 3.836 0 40 GHAB CN(Cc1c(F)cccc1Cl)C(=O)CCCn1c(=O)oc2ccccc21 36623588 CKPFPHBHMMWOKO-UHFFFAOYSA-N 376.815 3.826 0 40 GHAB Cc1nn(C)c2ncc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc12 40040229 MXLJQAZJSOMEHM-MRXNPFEDSA-N 377.473 3.864 0 40 GHAB O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1F 42645956 OKHOVLNHMFBIFB-UHFFFAOYSA-N 380.394 3.852 0 40 GHAB O=C(CCSc1ccccc1Cl)NC1CCN(C(=O)c2ccoc2)CC1 43091392 IIDHYXOQCMYERF-UHFFFAOYSA-N 392.908 3.836 0 40 GHAB COc1cc(/C=C2/C(=O)NC(=O)c3ccccc32)cc(Cl)c1OC(F)F 52933544 VWXNGTIRQNJQFF-WUXMJOGZSA-N 379.746 3.761 0 40 GHAB O=C(NC1CCN(Cc2ccccc2F)CC1)N[C@H]1CCOc2ccccc21 56442984 HWVLWIAMAPVGGJ-FQEVSTJZSA-N 383.467 3.613 0 40 GHAB C[C@H](N[C@H](C)C(=O)NCc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 57380602 AQCCQJBELZPLRW-JKSUJKDBSA-N 380.488 3.650 0 40 GHAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCN(Cc2ccccc2)CC1 57413336 FTDCKTYKRUBVDT-UHFFFAOYSA-N 380.879 3.688 0 40 GHAB CSc1nnc(CCCNc2nn3cc(C)nc3s2)n1C1CCCC1 58216376 NOAFJUIODGECLX-UHFFFAOYSA-N 377.543 3.572 0 40 GHAB C[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H](c2ccccc2)O1 58417691 BUPSWTYDLZRXCJ-RISCZKNCSA-N 390.281 3.652 0 40 GHAB CCc1ccc(Nc2nn[nH]c2C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 67283549 FTVFXWLOKQWFJF-ZDUSSCGKSA-N 395.463 3.619 0 40 GHAB CC1CCN([C@H](C)CNC(=O)N(C)Cc2cc(Br)cs2)CC1 67706939 CZKYVSNSVJEJIQ-CYBMUJFWSA-N 388.375 3.772 0 40 GHAB Cc1nccn1[C@@H](C)CC(=O)N1CCc2onc(Nc3ccccc3F)c2C1 72397198 QNHAFOFKACTVSY-ZDUSSCGKSA-N 383.427 3.598 0 40 GHAB CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1 75107522 FBZSQRKFVGRZAG-IAGOWNOFSA-N 375.469 3.847 0 40 GHAB Cc1nnsc1-c1nnc2sc(Cc3ccccc3OC(F)(F)F)nn12 79491714 SZOXKMUHTUGLTD-UHFFFAOYSA-N 398.395 3.502 0 40 GHAB O=C(NCCNc1ccc(OC(F)F)cn1)c1ccc(C(F)(F)F)cc1 89781070 FCZJWNRXJLNITH-UHFFFAOYSA-N 375.297 3.544 0 40 GHAB C[C@H](CO)CCCNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 89895386 PHUIHJLTCVSSQI-AWEZNQCLSA-N 387.867 3.924 0 40 GHAB C[C@H](O)C[C@H](CNC(=O)NC1(c2noc(C3CC3)n2)CCCC1)c1ccccc1 95413644 RQWVCPHNMLHKEQ-MAUKXSAKSA-N 398.507 3.570 0 40 GHAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCc2ccccc2[C@H]1CO 95444588 ZFPGZKVNLQBNER-LJQANCHMSA-N 380.419 3.532 0 40 GHAB Cc1ccc(-n2ncc(C(=O)N[C@H]3CCN4CCC[C@@H]4C3)c2C(F)(F)F)cc1 95949524 PTQISPIGQKPSDP-GOEBONIOSA-N 392.425 3.556 0 40 GHAB O=S(=O)(/C=C/c1ccccc1)N1CCC(Oc2ncccc2Cl)CC1 96024865 RLRODRIQRIJASI-GXDHUFHOSA-N 378.881 3.579 0 40 GHAB c1cncc(CNc2ccc3c([C@@H]4CCCN4Cc4nccs4)nnn3c2)c1 96156573 JIBXUIDREFOMSS-KRWDZBQOSA-N 391.504 3.530 0 40 GHAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccccc1-n1cnnn1 96232239 XBHSDZBSOIRFHV-KRWDZBQOSA-N 392.850 3.604 0 40 GHAB COc1ccc(-c2noc([C@H]3CCCN3C(=O)Cc3ccc(C)cc3)n2)cc1 98212231 ZHISJOLOSWJKNF-LJQANCHMSA-N 377.444 3.960 0 40 GHAB COc1cc2c(cc1OC)/C(=C/S(=O)(=O)c1ccc3c(c1)CCCC3)NCC2 101345459 BUOPOZCOLSBVMV-ZHZULCJRSA-N 399.512 3.501 0 40 GHAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(OCCc2ccccc2)cc1 101709758 HRDDIXTYMWWPKU-SFHVURJKSA-N 377.440 3.501 0 40 GHAB COc1ccc(OC)c([C@@H]2C=C(c3ccc(C(C)C)cc3)Nc3nnnn32)c1 102048063 DBXYKZIYEMEPIO-IBGZPJMESA-N 377.448 3.870 0 40 GHAB COc1ccc([C@H]2CCCCN(S(=O)(=O)c3c(F)cccc3F)C2)cc1 206887812 ZVNJRYICNXRGSY-HNNXBMFYSA-N 381.444 3.932 0 40 GHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1cccc(Cl)c1 222532868 VMGZNXOJDFWHTG-ZDUSSCGKSA-N 395.286 3.536 0 40 GHAB Cc1cc(C)cc(N(CCCC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1 222567136 PICATCVUMRIINS-GOSISDBHSA-N 388.533 3.727 0 40 GHAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1 222943840 UZGWPJMUSTZVHI-QFIPXVFZSA-N 396.531 3.748 0 40 GHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2ccccc2OC)CC1 222977707 JWDLUUFGCWRSSS-OAQYLSRUSA-N 382.504 3.818 0 40 GHAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1 224165429 MTQOCAHAQDAEFY-UHFFFAOYSA-N 390.480 3.713 0 40 GHAB C[C@H](CNC(=O)CS(=O)(=O)Cc1cccc2ccccc12)c1ccccc1 224952417 VKXUYOZLVFECMW-QGZVFWFLSA-N 381.497 3.675 0 40 GHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCC2=CCCCC2)cc1 225102373 FPAGXKWNYVQOJC-ZHZULCJRSA-N 380.444 3.676 0 40 GHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C 225380224 ACRHLIAGQVBABE-MOPGFXCFSA-N 396.531 3.878 0 40 GHAB O=S(=O)(Cc1noc2ccccc12)NCc1cccnc1-c1ccsc1 225649555 BYHDNCPWNCXIJH-UHFFFAOYSA-N 385.470 3.571 0 40 GHAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 225729735 BBZZQGFZOZRTSJ-NRFANRHFSA-N 376.497 3.612 0 40 GHAB CCOC(=O)COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1 225932827 DBSFGNFCCXENLF-UHFFFAOYSA-N 397.471 3.624 0 40 GHAB O=S(=O)(c1cccc(Cl)c1)N1CCC(Oc2ccncc2Cl)CC1 253472940 QRUJFMPJQBYOLY-UHFFFAOYSA-N 387.288 3.621 0 40 GHAB CCCOc1ccccc1-c1cc(C(=O)N2CCC[C@]3(C)NCCC[C@@H]23)[nH]n1 257211581 BZKJBTVSFGSHFH-IRLDBZIGSA-N 382.508 3.612 0 40 GHAB CCOc1cc2c(cc1CN1[C@H]3CC[C@H]1Cc1c(O)nc(C)nc1C3)CCC2 257232675 GLXHFBHBVAWXKI-OALUTQOASA-N 379.504 3.510 0 40 GHAB C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(C(=O)C2CCOCC2)C1 257309187 TZWPULJMAHWVCB-JOCHJYFZSA-N 386.467 3.711 0 40 GHAB Cc1ncsc1-c1ccc(C(=O)N2[C@@H]3CN(C)[C@@H]4CCCC[C@H]2[C@]4(C)C3)cn1 257314642 UXVWUBIJEYLSMJ-YNFBMLRVSA-N 396.560 3.991 0 40 GHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(C)ccc2C)c(F)c1F 408627799 NUNCTNCFFGGKGK-UHFFFAOYSA-N 386.370 3.995 0 40 GHAB CC(C)OCCCNC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408677175 QIRKFLUMMGTSRH-UHFFFAOYSA-N 382.435 3.859 0 40 GHAB CC1CCN(c2ccccc2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 408706931 FIYSLSIKKBDSTA-FQEVSTJZSA-N 391.515 3.910 0 40 GHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O 409104728 FEYYAOINBNLPBM-SWEABUAFSA-N 384.457 3.692 0 40 GHAB Cc1cc(CN2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)ccn1 527538223 JVMKNXFZMABIDC-IBGZPJMESA-N 375.476 3.745 0 40 GHAB COc1cccc(C[C@@H]2CCCN2C(=O)Nc2cccc3c2CCN3C(C)=O)c1 547390069 FNHZBNSVOKHBJE-SFHVURJKSA-N 393.487 3.843 0 40 GHAB O=C(Nc1csnc1-c1cccc(C(F)(F)F)c1)[C@@H]1OC[C@@H]2COCC[C@@H]21 567466203 WCACCMOOPWBAGP-DETPVDSQSA-N 398.406 3.819 0 40 GHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nccn1CC(F)(F)F 590050597 WUAQCDMBMYATCN-UHFFFAOYSA-N 398.772 3.992 0 40 GHAB CNC(=O)c1sc2ncccc2c1C1CCN(Cc2ncccc2C)CC1 643913500 WMHWEGVDRXGRCU-UHFFFAOYSA-N 380.517 3.739 0 40 GHAB Cc1ccsc1CN1CC[C@]2(CC[C@@H](C(=O)Nc3cccnc3)O2)[C@H](C)C1 2055731562 DXJMKKJEDWIYLB-PLMTUMEDSA-N 385.533 3.850 0 40 GHAB CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(F)cc23)cc1 1074505 UQIWFXUFOJDVNE-UHFFFAOYSA-N 376.453 3.535 0 40 GHAB COc1ccc(CN2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1OC 1179481 CBDXOZDAVRMXAL-UHFFFAOYSA-N 394.515 3.501 0 40 GHAB CC(C)COC(=O)c1c(N)n(-c2cccc(O)c2)c2nc3ccccc3nc12 1246094 TXLDZUIKEWAEFR-UHFFFAOYSA-N 376.416 3.674 0 40 GHAB Cc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccoc2C)cc1 1361232 XMJYCCAKGKIZIQ-UHFFFAOYSA-N 382.489 3.859 0 40 GHAB COP(=O)(OC)[C@@](NC(=O)C(F)(F)F)(c1ccccc1)C(F)(F)F 1633144 VAPHZVWKFRQWHC-JTQLQIEISA-N 379.193 3.566 0 40 GHAB Cc1nn2c(COc3ccc(NC(=O)C(C)C)cc3)nnc2c2ccccc12 2364566 NEKJTXBBMBJLMI-UHFFFAOYSA-N 375.432 3.759 0 40 GHAB Cc1cc(C(=O)COC(=O)c2ccncc2)c(C)n1CCc1ccc(F)cc1 3292623 AEJZEYURHJYWAM-UHFFFAOYSA-N 380.419 3.921 0 40 GHAB O=C(Cn1cnc2ccccc2c1=O)NCCC(c1ccccc1)c1ccccc1 3407500 SNZGYSGJKYDUQK-UHFFFAOYSA-N 397.478 3.735 0 40 GHAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1cccc(Cl)c1 4326993 YKDIMKHVZIAKJN-UHFFFAOYSA-N 396.863 3.571 0 40 GHAB CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O 4545232 SGSVDHHUTIFEGR-UHFFFAOYSA-N 399.830 3.913 0 40 GHAB O=C(c1ccccc1Cl)N1N=C(c2ccc(F)cc2)C[C@]1(O)C(F)(F)F 4598868 GCMIJFUZLPKWOQ-INIZCTEOSA-N 386.732 3.980 0 40 GHAB COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)Nc4ccccc4C)ccc32)cc1 5001833 NIFSARXPDVMIDG-UHFFFAOYSA-N 387.439 3.947 0 40 GHAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C 5045935 NLZZABYDVKWNHT-UHFFFAOYSA-N 396.516 3.555 0 40 GHAB COc1ccc(Br)cc1CN(C)C(=O)c1cccnc1SC 5173118 ABHXZYMMNLNCCM-UHFFFAOYSA-N 381.295 3.847 0 40 GHAB CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cccc4ccccc34)o2)cc1 5240638 IEDNUXOIMYPSRN-UHFFFAOYSA-N 393.424 3.546 0 40 GHAB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 5652634 RVQIGMLUJUODJA-UHFFFAOYSA-N 388.470 3.810 0 40 GHAB COc1ccc2c(CC(=O)OCC(=O)N3c4ccccc4C[C@@H]3C)coc2c1 6156888 DRFJPNBCFNJRRS-AWEZNQCLSA-N 379.412 3.505 0 40 GHAB CC(=O)Nc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2)cc1 7271188 JOZOMKUZLNKANM-UHFFFAOYSA-N 376.909 3.891 0 40 GHAB CCc1nnc(S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)O)o1 7364474 SJHCFOVIYYSYDY-UVTDQMKNSA-N 386.389 3.549 0 40 GHAB C[C@@H](Nc1ccccc1SCC(N)=O)C(=O)Nc1cccc(C(F)(F)F)c1 7370452 WUHGFOMHEWGAOW-LLVKDONJSA-N 397.422 3.722 0 40 GHAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccccc1Br 7552515 HJHYLXIAGKUVEF-HNNXBMFYSA-N 379.254 3.515 0 40 GHAB Cc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3F)c2=O)cc1C 7615796 BEWATZXUMICJPH-UHFFFAOYSA-N 383.448 3.719 0 40 GHAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1OC 7645578 XBEZWLUGHWIXDZ-LBPRGKRZSA-N 378.266 3.886 0 40 GHAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(-c2ccc(F)cc2)o1 7990360 OSJWFKYQJUXFAM-UHFFFAOYSA-N 386.448 3.926 0 40 GHAB COC(=O)c1cc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)ccc1Cl 8163805 JRQJJBJQRVVGLE-WEVVVXLNSA-N 375.808 3.796 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C)ccc1F 8267896 MLQWWOKFMJKGJE-UHFFFAOYSA-N 378.469 3.725 0 40 GHAB O=C(NCCN1CCCC1)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 8848207 APHJSWNIHSPSLA-UHFFFAOYSA-N 395.547 3.667 0 40 GHAB CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1F 8867716 PJJFUJCTHGTUHV-IBGZPJMESA-N 381.403 3.904 0 40 GHAB Cc1cc(=O)oc2cc(OCC(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)ccc12 9387820 BTYUSHQJROTQKL-UGSOOPFHSA-N 381.428 3.855 0 40 GHAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccnn1C(C)C 9629107 LMBOENFNJFOBHJ-HNNXBMFYSA-N 398.536 3.786 0 40 GHAB COc1cc(-c2noc(-c3cc(-c4ccccc4)[nH]n3)n2)cc(OC)c1OC 11666717 HTJHTOINBONPFA-UHFFFAOYSA-N 378.388 3.820 0 40 GHAB CCN(CC)CCN(C(=O)c1ccnn1C)c1nc2c(Cl)cccc2s1 11695044 SHDJYJDNIDHPFC-UHFFFAOYSA-N 391.928 3.672 0 40 GHAB O=C(Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)NCc1ccncc1 11865865 UYJZVYNBYOKGEB-UHFFFAOYSA-N 393.390 3.963 0 40 GHAB Cc1ccnc(SCc2nc3cc(NC(=S)NC(C)C)ccc3n2C)n1 12323594 DNGUIWYJQPUPBF-UHFFFAOYSA-N 386.550 3.659 0 40 GHAB COc1cccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)c1 12330042 OAHMNRCHVPFMQI-FGZHOGPDSA-N 397.515 3.696 0 40 GHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2ncsc2c1 12923379 HHXZINPBOVAZHP-UHFFFAOYSA-N 375.400 3.675 0 40 GHAB COc1ccc(-c2nnc(SCc3cccc(F)c3F)n2CC(=O)O)cc1 12978181 HXYJHIBZDNCNBG-UHFFFAOYSA-N 391.399 3.609 0 40 GHAB O=C(Cc1ccc2ccccc2c1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 12978899 GYIWXTPJASCQJX-LJQANCHMSA-N 399.537 3.660 0 40 GHAB CC1(C)CC(=O)c2ccc(OCC(=O)Nc3cccc4ncccc34)cc2O1 13685123 DJEPUHNGOXVGBN-UHFFFAOYSA-N 376.412 3.996 0 40 GHAB O=C(CCc1ccccc1)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1 13944351 CBHDVFMBJLVREV-MRXNPFEDSA-N 392.484 3.630 0 40 GHAB CC(C)C[C@H](C(=O)N[C@H]1CCc2ccccc21)N1C(=O)c2ccccc2C1=O 14186585 RCJAWWSLBVEDHQ-VQTJNVASSA-N 376.456 3.501 0 40 GHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(c3nnc4ccccn34)CC2)c1C 14187246 VIEMLIUISBIHCH-UHFFFAOYSA-N 398.532 3.531 0 40 GHAB CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc21 14814766 JZEVSPLDCTVAHS-UHFFFAOYSA-N 387.270 3.962 0 40 GHAB COc1cc2nc(SCc3ccon3)n(-c3ccccc3)c(=O)c2cc1OC 15083689 QWMDHYFHTFOTSA-UHFFFAOYSA-N 395.440 3.683 0 40 GHAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(CCO)C3=O 16751334 KPAAQISBHYGSNB-QGZVFWFLSA-N 383.831 3.601 0 40 GHAB COc1cc(CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc(OC)c1OC 18136006 CAGJQXQPPMSCAB-HXUWFJFHSA-N 375.440 3.908 0 40 GHAB O=C1NCCN(CCCc2ccccc2)C[C@H]1Cc1ccccc1-c1cccnc1 19371133 HABJUQOWEOKHJH-XMMPIXPASA-N 399.538 3.972 0 40 GHAB CCc1cc(C(=O)N2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)on1 19522736 IAOXMRAZCCBRIJ-WDBKCZKBSA-N 397.401 3.718 0 40 GHAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)CO2 19562357 AVZYMMMTVQSLOO-OXJNMPFZSA-N 397.471 3.627 0 40 GHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 20311680 HZLQQCBXJIDXQG-AHKGRUIUSA-N 384.907 3.965 0 40 GHAB O=C(Nc1ccc(F)cc1F)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20461943 LONNFCQGHVBSRU-UHFFFAOYSA-N 394.443 3.533 0 40 GHAB Cc1noc(C)c1COc1cccc(C(=O)NC[C@H](c2cccs2)N(C)C)c1 21321849 DWDIHQNJJJWZGS-LJQANCHMSA-N 399.516 3.965 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 21875745 RQNLGMMTJQBNAU-RDTXWAMCSA-N 392.546 3.535 0 40 GHAB COC(=O)c1ccoc1COC(=O)c1ccc(OCc2c(C)noc2C)cc1 22412035 LPHUJOKEFRNRQT-UHFFFAOYSA-N 385.372 3.607 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)Cc1csc(-c2cccc(F)c2)n1 22464554 FSUDWYQTZMYGDN-DYVFJYSZSA-N 390.480 3.730 0 40 GHAB COc1cc(CN(C)C[C@H](O)COc2c(C)cccc2C)ccc1OC(F)F 23408721 QBAURQAZCBDYLU-KRWDZBQOSA-N 395.446 3.785 0 40 GHAB Cc1ccc(C(=O)COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 24416040 OKKFADOFKNVYJL-UHFFFAOYSA-N 380.444 3.665 0 40 GHAB COC(=O)c1ccc(C)c(NC(=O)CN2CCC[C@H]2c2ccc(OC)cc2)c1 25415192 SEXVDTFSZJITBT-FQEVSTJZSA-N 382.460 3.566 0 40 GHAB CCOC(=O)c1c(NC(=O)C(C)C)sc2c1C[C@@H](P)S[C@H]2P 26805989 CMKKEARQDULPNP-RMLUDKJBSA-N 377.408 3.884 0 40 GHAB CCCN(c1ccc2sc(C(N)=O)cc2c1)S(=O)(=O)c1ccc(C)cc1 28209209 DKQOTMSRIGTCHD-UHFFFAOYSA-N 388.514 3.914 0 40 GHAB CCc1cc2c(=O)n(NC(=O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)cnc2s1 29069583 ZJUGTCAOZVISKZ-FRFSOERESA-N 391.537 3.568 0 40 GHAB CC(C)COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1Cl 30188121 OXPFVJINILBMMV-UHFFFAOYSA-N 386.835 3.853 0 40 GHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(-n2ccnc2)cc1 30517506 UHKQMSZJTBIUMC-UHFFFAOYSA-N 385.471 3.664 0 40 GHAB CCn1cc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2CC)cn1 32604038 JVIYZYRFJBMNQB-UHFFFAOYSA-N 390.900 3.566 0 40 GHAB CC(C)(C)C(=O)Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c1 32906494 OVDSPMFRFSOJFN-HNNXBMFYSA-N 397.475 3.755 0 40 GHAB Cc1c(NC(=O)c2ccc(C3SCCS3)cc2)cccc1-n1cnnn1 32969344 BKMQVTRFKZMCOA-UHFFFAOYSA-N 383.502 3.702 0 40 GHAB CCOC(=O)C1CCN(C(=O)c2cccc(COc3ccccc3OC)c2)CC1 36611122 NFZXNJVWRDAUEY-UHFFFAOYSA-N 397.471 3.690 0 40 GHAB Cc1noc(C)c1CCC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 39996875 OHDVZEREYBSITB-UHFFFAOYSA-N 375.900 3.658 0 40 GHAB C[C@@H](c1ccccc1Cl)N(C(=O)CCn1nnc2ccccc2c1=O)C1CC1 40070293 JGQZOXGHIDCYDP-AWEZNQCLSA-N 396.878 3.587 0 40 GHAB COCCOc1ccc(S(=O)(=O)N[C@H](C)c2cc3ccccc3o2)cc1C 40105058 WAYBDBOQAAMGEM-OAHLLOKOSA-N 389.473 3.806 0 40 GHAB CCOC(=O)N(C)CC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 40145237 MQLDIRNBSTYCGM-UHFFFAOYSA-N 399.419 3.747 0 40 GHAB CC(C)c1cc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)nn1C(C)(C)C 44473056 PUGPFUUNLICLOU-UHFFFAOYSA-N 396.535 3.926 0 40 GHAB CCc1cc2c(C)cc(=O)oc2cc1OC(=O)CCCNC(=O)c1ccsc1 45400807 WTGSCQAOZUCACU-UHFFFAOYSA-N 399.468 3.841 0 40 GHAB COc1c(Cl)cc(C(=O)NCc2nncn2-c2ccccc2)cc1Cl 47930558 IEXKRJYFGBIAHK-UHFFFAOYSA-N 377.231 3.513 0 40 GHAB CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)nn1C(C)(C)C 48362588 LGQJZQKQRHKGBL-HNNXBMFYSA-N 380.496 3.833 0 40 GHAB O=C(Nc1nccs1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 57034789 OOWVOJAIIJQKCT-MRXNPFEDSA-N 379.445 3.831 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@]1(N(C)C)CCC[C@H](C)C1 58265261 YWZBKWHZWSXUEO-OYHNWAKOSA-N 386.515 3.869 0 40 GHAB Cc1ccc(C)c(-n2nc(C)c(CNCc3nnc4ccccn34)c2Cl)c1 61029245 YWCOAQAOXZEHMG-UHFFFAOYSA-N 380.883 3.783 0 40 GHAB CO[C@@H](C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1 61220504 PLSCUPDMEDGCBZ-HXUWFJFHSA-N 376.460 3.998 0 40 GHAB COc1cccc(-n2cc(C(=O)O)c3c2[C@H](c2ccc(F)c(F)c2)CC(=O)N3)c1 66087488 ZRSUNXHJFMGPBJ-AWEZNQCLSA-N 398.365 3.936 0 40 GHAB Nc1[nH]nc(NCc2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 66087663 CKPUVJKRHRBQHO-UHFFFAOYSA-N 375.354 3.875 0 40 GHAB Cc1cc(C)n(CC/C(O)=N/S(=O)(=O)c2c(Cl)cccc2Cl)n1 69605085 VIDIZWBMSQXKDH-UHFFFAOYSA-N 376.265 3.542 0 40 GHAB Brc1cccc(Cn2nc(Br)nc2Br)c1 71978807 OTORMHCQEGYKKC-UHFFFAOYSA-N 395.880 3.614 0 40 GHAB CN1CCN(c2ncccc2[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 72216612 TZIPWGPIQLMKKV-NRFANRHFSA-N 394.519 3.697 0 40 GHAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC1(C(=O)O)CCCCC1 72276988 UHDAFPCTJDDZSE-UHFFFAOYSA-N 376.840 3.831 0 40 GHAB COc1cccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c1 72329235 NSEMWNFFUGCDIT-CYBMUJFWSA-N 381.432 3.594 0 40 GHAB COc1ccc(C(C)=O)cc1CC(=O)N(C)c1ccc(-c2ccccc2)nn1 79061296 OPAWRRILFQWIGC-UHFFFAOYSA-N 375.428 3.560 0 40 GHAB CCc1nc(C2(NC(=O)CSc3nc4ccccc4s3)CCCC2)no1 83830390 AOMACEGJZMAYOV-UHFFFAOYSA-N 388.518 3.920 0 40 GHAB C[C@@H](Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1)C(=O)N1CCNC1=O 83927547 IHMHXUPLEOVXMW-GFCCVEGCSA-N 377.366 3.725 0 40 GHAB O=C(c1ccsc1)N1CCN(C(=O)c2cnc(-c3ccsc3)s2)CC1 95958571 XGLWGPHWEBNVHE-UHFFFAOYSA-N 389.527 3.531 0 40 GHAB CC(C)Oc1cccc([C@H](O)CN[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 95982940 HRDMPXCLXJXOKI-GPMSIDNRSA-N 380.529 3.789 0 40 GHAB CCCCCS(=O)(=O)CC(=O)Nc1ccc(N2CCC[C@H]2C(C)C)c(F)c1 95992945 JFPOCDRHCASFRM-SFHVURJKSA-N 398.544 3.994 0 40 GHAB O=C(c1ccccn1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1 96038330 QWYYPRHITTUVAQ-UHFFFAOYSA-N 398.470 3.888 0 40 GHAB COC(=O)c1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)cc1 96119042 NNIFBVKFWGZOIU-HNNXBMFYSA-N 397.456 3.605 0 40 GHAB COc1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 96868614 QEEPLWAQXUZMSO-STZFKDTASA-N 387.439 3.887 0 40 GHAB Cc1ccccc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 100156063 PVUZBLZCTXZZIF-IYBDPMFKSA-N 377.448 3.539 0 40 GHAB Cc1ccc(C(=O)Oc2ccccc2N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102617866 MAPJGBSSDCJHBD-XAMWDVODSA-N 375.424 3.750 0 40 GHAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113945804 GVYXSQPOGLRFNN-GOSISDBHSA-N 389.499 3.998 0 40 GHAB CC(C)(C)OC(=O)N1CC[C@]2(C1)N(C(=O)OCc1ccccc1)CC2(F)F 117616556 CXENBQXGIMFLMQ-GOSISDBHSA-N 382.407 3.654 0 40 GHAB C[C@H]1CCCN(c2ccc(NC(=S)NCc3ccc4c(c3)OCCO4)cn2)C1 224050798 RXQNCOWECKISOW-HNNXBMFYSA-N 398.532 3.576 0 40 GHAB CC(C)C(NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)C(C)C 224106540 XUYRRCVUMIFYDS-UHFFFAOYSA-N 388.533 3.922 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1N(C)S(=O)(=O)c1ccccc1 224197981 KQXGIAINKJFKMI-INIZCTEOSA-N 386.517 3.692 0 40 GHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccccc1 224595199 IUZPRWNOMAFFTI-NRFANRHFSA-N 398.572 3.906 0 40 GHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 225301711 PFJYRFPIGPHIPO-HNNXBMFYSA-N 379.460 3.748 0 40 GHAB CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1C 225571758 FPZAVIQDAJEBEU-HXUWFJFHSA-N 386.517 3.661 0 40 GHAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(C)c(C)c1 225682332 NRKRSELXJGVBHD-MRXNPFEDSA-N 390.530 3.646 0 40 GHAB COC(=O)c1cn(C(=O)c2cc(Br)ccc2OC)c2ccccc12 226367184 GKZMDARYCOHUPJ-UHFFFAOYSA-N 388.217 3.888 0 40 GHAB O=C(CCc1ccccc1Br)N[C@@H](Cn1nccn1)c1ccccc1 239611774 FEKQTBLTUXVMPJ-SFHVURJKSA-N 399.292 3.531 0 40 GHAB C[C@@H]1Oc2ccccc2N([C@H](C)C(=O)N[C@H](C)c2nc3ccccc3s2)C1=O 253377777 YEDRQXILIRWZMU-MCIONIFRSA-N 395.484 3.676 0 40 GHAB CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 253480221 VNMRXZNXEDNUMN-XKPYVIEYSA-N 390.543 3.540 0 40 GHAB O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 255950375 OJCFMHFFCKBBSM-HSZRJFAPSA-N 398.506 3.983 0 40 GHAB CCc1ccc(NC(=O)N2CC[C@]3(CC[C@@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)cc1 306129008 HREKXMKSSUAJEH-ITSWEJNFSA-N 399.535 3.567 0 40 GHAB O=C(N1CC[C@H](c2ccccc2)S(=O)(=O)CC1)C12CC3CC(CC(C3)C1)C2 390828386 AVPMWJVZZULDLO-MYZSEDEFSA-N 387.545 3.591 0 40 GHAB COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 408707171 HQVVZGYCKYMQKP-CYBMUJFWSA-N 393.270 3.671 0 40 GHAB COC(=O)COc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OC 409118886 RHBNAPHCXBABAE-WQRHYEAKSA-N 395.455 3.790 0 40 GHAB C[C@@H](Cc1ccccc1Cl)c1nc(-c2cc(N3CCN(C)CC3)ccn2)no1 547215505 NEEGVZVMAWQRSG-HNNXBMFYSA-N 397.910 3.883 0 40 GHAB C[C@H](NC(=O)c1ccc2nc(C(F)(F)F)cn2c1)[C@@H]1OCCc2sccc21 553857902 RMRFKUFZLOQNRT-QFYYESIMSA-N 395.406 3.847 0 40 GHAB O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 583001165 QMONJMCUHYIAHB-LJQANCHMSA-N 395.482 3.520 0 40 GHAB Cn1ncc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1C(F)F 589290183 BDAAQISPWHSCNE-HNNXBMFYSA-N 382.842 3.578 0 40 GHAB CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(C(F)(F)F)cnc1O 635583202 QHGIYNATAHLVND-YMTOWFKASA-N 388.773 3.965 0 40 GHAB Cn1nccc1CCC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615156453 KSSLINAEGTZJQS-PMACEKPBSA-N 384.499 3.540 0 40 GHAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3c2nccc(C(F)(F)F)n2)nn1 1775973539 JHGWFSNLZCETDA-FUNVUKJBSA-N 380.418 3.757 0 40 GHAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1 24994492 JVERQAQQZDEJNR-OAHLLOKOSA-N 377.366 3.652 0 40 GHAB COc1ccc(C)cc1CC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 79049163 MYSQIKGPKLQFRC-LJQANCHMSA-N 383.879 3.802 0 40 GHAB COc1cc(C(=O)N2CC(OCCCc3ccccc3)C2)ccc1OC(F)F 79000277 GWSGCQURZFQEBO-UHFFFAOYSA-N 391.414 3.770 0 40 GHAB CCN(CC)C(=O)CN(C)[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1 79023327 NJQWMJPLAPVUPU-FQEVSTJZSA-N 378.476 3.626 0 40 GHAB C[C@H](C(=O)Nc1nc(-c2ccccc2Cl)co1)N1C(=O)c2ccccc2C1=O 79071804 CMVIADVDZZSIMA-LLVKDONJSA-N 395.802 3.618 0 40 GHAB CN1[C@H]2CC[C@@H]1CC(NC(=O)c1ccc(COc3ccc4c(c3)CCC4)o1)C2 2790326 LBJLHYKZEUQJPY-YQQQUEKLSA-N 380.488 3.702 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccncc2)cc1C 3507800 SJSAUHIKXYCUBT-UHFFFAOYSA-N 395.532 3.953 0 40 GHAB O=C(Nc1ccc(F)cc1F)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3561581 DEIAIUYWMJIZIW-UHFFFAOYSA-N 394.443 3.782 0 40 GHAB CN(CCCC(=O)N1CCC[C@H]1c1cccs1)S(=O)(=O)c1cccs1 25406950 FPWFAOLVKNYJRH-AWEZNQCLSA-N 398.575 3.574 0 40 GHAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1C 4854674 QUOPJUPEQONHBG-INIZCTEOSA-N 395.532 3.953 0 40 GHAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1 6349361 GGGNQLHLDBNBBC-UHFFFAOYSA-N 396.560 3.689 0 40 GHAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccco4)c3)nn12 6451361 BHZVTRKDRBPNTP-CMDGGOBGSA-N 379.445 3.969 0 40 GHAB Cc1nnc(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)s1 7193091 RPVDFFWZNMMZOL-CYBMUJFWSA-N 381.910 3.814 0 40 GHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(C)C)CC2=O)cc1 7429608 WVNHHYWVMJJYQR-QGZVFWFLSA-N 394.471 3.653 0 40 GHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c(C)c1 7610153 ILDVGXOPKUADQH-UHFFFAOYSA-N 392.908 3.994 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)c1cc3ccccc3s1)OCO2 7814653 ARJPHOFWHXNNKP-UHFFFAOYSA-N 397.408 3.628 0 40 GHAB CC[C@H](C(=O)Nc1cccc(C)c1C)n1ncc(-c2ccc(OC)cc2)nc1=O 44804325 XPSZXMAYDVEVTR-HXUWFJFHSA-N 392.459 3.521 0 40 GHAB O=C(NCc1ccccc1Cn1cccn1)c1c[nH]c(=S)n1-c1ccccc1 10235271 FGIJTVXGZDMCPU-UHFFFAOYSA-N 389.484 3.710 0 40 GHAB CC(C)c1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)cc1 12541985 XKWAICKMNDVINY-UHFFFAOYSA-N 388.518 3.891 0 40 GHAB CC(C)[C@@H](NCc1cccc(F)c1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769459 BJQCOQFQJCHSGD-JOCHJYFZSA-N 398.482 3.955 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 22514155 TUUCUWIPZFMIIT-UHFFFAOYSA-N 392.908 3.826 0 40 GHAB COc1cccc([C@@H](NC(=O)NCCSc2ccccc2)c2nccn2C)c1 29325742 HSHIUQYTTSMFGC-LJQANCHMSA-N 396.516 3.610 0 40 GHAB COc1ccc(-c2cc3c(SCC(=O)NCCC(C)C)nccn3n2)cc1 46005280 NTHGZUGYIPEVRG-UHFFFAOYSA-N 384.505 3.659 0 40 GHAB O=C(CCc1nc2ccccc2[nH]1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 12627711 HLLPUAWTFPVWIV-UHFFFAOYSA-N 392.440 3.986 0 40 GHAB O=C(Nc1ccc(-n2cncn2)nc1)N(Cc1ccco1)Cc1cccs1 48134379 RQXHEWKOXOKVIP-UHFFFAOYSA-N 380.433 3.551 0 40 GHAB CSc1ccc(CN(C)C(=O)Cn2c(S)nnc2-c2ccc(C)cc2)cc1 12796083 JHKYTMHOVYPDDO-UHFFFAOYSA-N 398.557 3.923 0 40 GHAB COC(=O)c1cc2cc(NS(=O)(=O)c3cc(F)ccc3OC)ccc2s1 20030067 JVQSAMFLIXRWRA-UHFFFAOYSA-N 395.433 3.636 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCCc2ccccc21 10449622 GRQHVUPHCTVBJK-UHFFFAOYSA-N 398.528 3.763 0 40 GHAB CC(C)NC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 3365094 LENGIILPQUTIPN-UHFFFAOYSA-N 398.507 3.944 0 40 GHAB COCCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 20604860 GDJYFSOYJVIWHD-UHFFFAOYSA-N 381.379 3.786 0 40 GHAB Cc1ccc(C)c(C(=O)[C@H](C)N2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1 3377036 XMFIOCGDSLUEIX-QMHKHESXSA-N 376.456 3.658 0 40 GHAB Cc1ccc(C)c(N(Cc2ccc(C(=O)N3CCCC3)cc2)S(C)(=O)=O)c1 113966429 YSPXFNYBSWFHBO-UHFFFAOYSA-N 386.517 3.506 0 40 GHAB Cc1ccccc1-c1csc(NC(=O)c2occc2CN2CCOCC2)n1 48302542 FMGAZYJEKPEYOC-UHFFFAOYSA-N 383.473 3.796 0 40 GHAB Cc1cc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)sc1C(=O)O 48331824 KNUUTRBJTVUSKN-UHFFFAOYSA-N 377.443 3.743 0 40 GHAB CCOc1ccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22381283 PRPSTNLDCXKJML-UHFFFAOYSA-N 390.505 3.613 0 40 GHAB COc1cc2c(cc1NC(=O)CNC(=O)Cc1ccccc1)oc1ccccc12 12872488 WEPDXDQZIHIDHZ-UHFFFAOYSA-N 388.423 3.892 0 40 GHAB C[C@@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)c1cccc(Cl)c1 12943473 UKMWNSGBSWBPHP-BDJLRTHQSA-N 389.860 3.958 0 40 GHAB Cc1cc(C)c(C(=O)[C@H](C)OC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1C 12914256 OLXLSPWCOFNXCT-INIZCTEOSA-N 395.455 3.690 0 40 GHAB COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)o2)cc1 3610363 AIXDMVSIDYUFCZ-WOSRLPQWSA-N 375.494 3.778 0 40 GHAB CCN(CCO)c1ncnc2c1oc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 13217724 OTKDRLNHIMUWPK-UHFFFAOYSA-N 398.507 3.639 0 40 GHAB CCOC(=O)[C@]1(C)c2[nH]c3ccccc3c2CCN1C(=O)NC1CCCCC1 4041050 QZACGQFQTAYJOP-QFIPXVFZSA-N 383.492 3.847 0 40 GHAB biogenic O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCCN(c2nccs2)CC1 64751642 FHOZYWXGKPEQFK-UHFFFAOYSA-N 380.517 3.810 0 40 GHAB COc1ccc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4ccco4)ccc2S3(=O)=O)cc1 306132390 LHIMZLGTCFCALH-SIKLNZKXSA-N 395.480 3.711 0 40 GHAB Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1C 39476765 CGQLKGDAZKZVRI-MRXNPFEDSA-N 393.439 3.693 0 40 GHAB COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1Cl 5015909 KETZRNATYGKWRX-VIFPVBQESA-N 378.881 3.886 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 5025988 FNHNIWSWAWXVII-CDVVCGDMSA-N 395.933 3.631 0 40 GHAB O=C(CNCc1ccco1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 4554276 SGBYGHLYMULJMS-UHFFFAOYSA-N 395.484 3.810 0 40 GHAB Cc1cccc(C(=O)OCc2nc3ccccc3[n+]([O-])c2C(=O)c2ccccc2)c1 5477555 GZXQXOXVLMJBOV-UHFFFAOYSA-N 398.418 3.765 0 40 GHAB CCc1ccc(OCC(=O)Nc2nnc(Cc3ccc(OC)cc3)s2)cc1 5477878 HPXFXUOMMXXFGI-UHFFFAOYSA-N 383.473 3.717 0 40 GHAB O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2ccccc2)CC1 4696458 UPYWUWZPIMKSCY-UHFFFAOYSA-N 387.277 3.940 0 40 GHAB COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccccc3)C2)c1 95532093 FTDBMULPGXAGKR-HXUWFJFHSA-N 396.443 3.636 0 40 GHAB COc1cccc(N2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)c1 67285250 PVXJRHTTWXTASY-UHFFFAOYSA-N 391.500 3.793 0 40 GHAB COCCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(Cl)cc1Cl 7552656 JJOXQZNBHPZGDX-INIZCTEOSA-N 399.274 3.686 0 40 GHAB CC[C@H]1CCCCN1C(=O)COc1ncnc2ccc(Br)cc12 7779889 YRFHFAYZJZCVEF-ZDUSSCGKSA-N 378.270 3.562 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ncnc3sccc23)cc1 7980455 VYCFZXZDTFETQC-ZDUSSCGKSA-N 390.534 3.895 0 40 GHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 7946720 ZORVVNCDKCKNGN-UHFFFAOYSA-N 384.860 3.762 0 40 GHAB C[C@@H](CCc1ccco1)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 8010934 RBJYYTISVDNBTM-INIZCTEOSA-N 387.439 3.730 0 40 GHAB CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 113883946 CUWYLMCRPFXCEE-UHFFFAOYSA-N 388.272 3.752 0 40 GHAB CCc1noc(C)c1C(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 8395241 VVGRZZYKGGGSFS-UHFFFAOYSA-N 395.440 3.867 0 40 GHAB Cc1ccc(-c2nnc(CCC(=O)NCCCOCc3ccccc3)o2)cc1 25680948 BSCUXVNEUAJGIR-UHFFFAOYSA-N 379.460 3.701 0 40 GHAB CCN1CCN(c2ccc(C(=O)Nc3cccc(C(F)(F)F)n3)cc2F)CC1 97000659 YCJHTLNBPKISBL-UHFFFAOYSA-N 396.388 3.634 0 40 GHAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1N1CCCC1 8429398 XHWQXZPVEVZLSG-JOCHJYFZSA-N 379.504 3.609 0 40 GHAB CCn1c(SCC(=O)NC[C@@H](c2cccs2)N(C)C)nc2ccccc21 70690517 FOVPFBHWQBKBLB-INIZCTEOSA-N 388.562 3.629 0 40 GHAB COC(=O)c1c(CC(=O)N(CC(C)(C)C)CC(C)(C)C)[nH]c(C(C)=O)c1C 95984559 DHYMSJUTVGVMJH-UHFFFAOYSA-N 378.513 3.776 0 40 GHAB COc1ccc(-c2nnc3sc(Cc4noc5c(C)cccc45)nn23)cc1 8715089 XLSMHDAOMIVNOZ-UHFFFAOYSA-N 377.429 3.902 0 40 GHAB Cc1noc([C@H]2CCCN(C(=O)NCCc3cc(Cl)cc(Cl)c3)C2)n1 84286581 ZROZYSHKNRRRKE-ZDUSSCGKSA-N 383.279 3.817 0 40 GHAB Cc1cscc1C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 95963951 VTPZOUXEIBYSBR-UHFFFAOYSA-N 393.515 3.804 0 40 GHAB Cc1cc(NC(=O)CCc2ccccc2Br)n(-c2ccncc2)n1 72303443 DARPJTWYVGUVNF-UHFFFAOYSA-N 385.265 3.910 0 40 GHAB CC(=O)NCc1ccc(C(=O)[C@H](C)Sc2ncnc3sccc23)s1 9113483 DVJXUGAXWFQKRM-VIFPVBQESA-N 377.516 3.752 0 40 GHAB Cc1nc(Cl)ccc1CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 89536906 GMHUGGMWRHDWCL-STQMWFEESA-N 391.874 3.977 0 40 GHAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc3ccccc3c2s1 84525660 ZEGLKTUFTJNOGT-AWEZNQCLSA-N 380.494 3.942 0 40 GHAB O=C(CCSc1ccccc1Br)N1CCCN2CCC[C@H]2C1 95392648 IHSAIAPZOWDHKG-AWEZNQCLSA-N 383.355 3.628 0 40 GHAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2CN(Cc3ccsc3)C[C@@H]21 306130513 JIRQWDKOHBENSE-ICSRJNTNSA-N 382.510 3.565 0 40 GHAB CN(c1ccccc1C(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1 409340143 RDBVKSXDJQMHAL-UHFFFAOYSA-N 386.517 3.964 0 40 GHAB Clc1ccc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)cc1 65185550 XYXMECICBNYATJ-UHFFFAOYSA-N 382.763 3.760 0 40 GHAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)cc1 408709118 OSBXSAGFGPXJJK-UHFFFAOYSA-N 380.366 3.748 0 40 GHAB Cc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)cc1 33268502 SBMCDUZADHFFCF-UHFFFAOYSA-N 385.423 3.834 0 40 GHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(F)cc3F)ccc21 35588146 LWLOSCMDCOXFCW-UHFFFAOYSA-N 394.487 3.648 0 40 GHAB COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)C2CCCCC2)C=C1C 30880541 SYCFVIPEHUKRFT-ACRUOGEOSA-N 392.584 3.690 0 40 GHAB biogenic,in-vitro CC[C@@H](CCNC(=O)c1cc(C)nc2c1c(C)nn2CC)n1cc(Cl)cn1 36616053 KPSFFKVUZHKEEJ-HNNXBMFYSA-N 388.903 3.689 0 40 GHAB CC[C@@H](NC(=O)CCCN(c1ccccc1)S(C)(=O)=O)c1ccc(C)cc1 219171668 YZGNWFXJDVZSBX-HXUWFJFHSA-N 388.533 3.809 0 40 GHAB Cc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C(N)=O 32081957 HSNRNESVBSJGTA-UHFFFAOYSA-N 382.441 3.687 0 40 GHAB CC(=O)N[C@H](CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C)c1ccc(C)cc1 32879257 BRDBLLIFOIOFSI-IRLDBZIGSA-N 392.503 3.952 0 40 GHAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2cccnc2)n1 72379008 CCLKCAKCAVXLMR-IBGZPJMESA-N 375.476 3.692 0 40 GHAB CCc1nnc(Nc2cc([C@@H]3CCCN3C(=O)c3ccccc3)nc(C)n2)s1 72360193 SBVLWNKYDRZUKE-INIZCTEOSA-N 394.504 3.920 0 40 GHAB COc1ccc(CNC(=O)C2CCN(c3ccc(C)cc3)CC2)c(OC)c1OC 219860332 WZJWRGDUOZDNDN-UHFFFAOYSA-N 398.503 3.554 0 40 GHAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 44849376 HELICXVNHXMLFE-UHFFFAOYSA-N 386.835 3.501 0 40 GHAB COc1ccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c(=O)oc2c1 226043041 PKPPWFICOOKLAT-UHFFFAOYSA-N 377.440 3.897 0 40 GHAB Cc1ccc(C)c(OCCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 224049972 ISQHMTVCVBSEMQ-UHFFFAOYSA-N 377.488 3.974 0 40 GHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cc1 223006515 ZFKLOUKJJVBMQL-KRWDZBQOSA-N 396.896 3.532 0 40 GHAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 225589245 SJMUEANZUFNCCQ-NRFANRHFSA-N 395.480 3.850 0 40 GHAB CC(C)(C)SCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223919532 WHYPNAXLPANBPH-UHFFFAOYSA-N 392.546 3.749 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)NCc3cccnc3-c3cccnc3)c2O1 225642900 PEVHPXYYBLNIOL-UHFFFAOYSA-N 389.455 3.552 0 40 GHAB Cc1ccc(OCCNS(=O)(=O)Cc2ccc(Br)cc2)cc1C 224185995 ITELXDRRYOBIHJ-UHFFFAOYSA-N 398.322 3.564 0 40 GHAB CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223705674 MAILCDIOADEOPQ-UHFFFAOYSA-N 375.490 3.667 0 40 GHAB Cc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223130098 SWSKFALDUFIDSQ-IBGZPJMESA-N 396.531 3.748 0 40 GHAB Cc1cc(C)cc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1 224259204 NHLRALWROOYUCN-UHFFFAOYSA-N 387.487 3.672 0 40 GHAB S=C(NCc1cccnc1)Nc1ccc(N2CCc3ccccc3C2)nc1 223940542 VHOXNSBGLFFNBB-UHFFFAOYSA-N 375.501 3.526 0 40 GHAB CCSc1ccccc1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220487238 DHCNQLPMPWBWLO-ZDUSSCGKSA-N 396.509 3.731 0 40 GHAB Cn1ccnc1[C@H](NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)C1CC1 582520022 VSARETVQCCPCTB-LJQANCHMSA-N 397.454 3.741 0 40 GHAB COc1ccc(CN2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)cc1 96269017 JUNGZYSBVRRGSH-LJQANCHMSA-N 381.394 3.994 0 40 GHAB biogenic,in-vitro O=C(O)c1cccc(C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 582904975 VVOQDDVYYCPEEP-SFHVURJKSA-N 398.846 3.626 0 40 GHAB Cc1nc(-c2ccccc2)nc2c1COC[C@]21CCN(C(=O)CC(C)(C)C)C1 96244706 PFSUNUOMHPUQME-HSZRJFAPSA-N 379.504 3.889 0 40 GHAB O=C1N(C2CCCCC2)C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN12 96269139 LTIJQQVAEYJHHA-GOSISDBHSA-N 381.442 3.960 0 40 GHAB biogenic,in-vitro Cc1nc(-n2cccc2)sc1C(=O)N[C@H](CC(C)C)c1nnc2ccccn12 95474985 MMBPJCDMTZDQLO-OAHLLOKOSA-N 394.504 3.802 0 40 GHAB CCc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc(OC(F)F)cc1 96318807 RUDZSGWPPXIIMT-UHFFFAOYSA-N 376.338 3.823 0 40 GHAB Cc1cc(-c2cnc(N3CCN4CCCC[C@H]4C3)nc2-c2ccc(C)o2)on1 253599999 BQJITNRATHQCBM-INIZCTEOSA-N 379.464 3.683 0 40 GHAB Cc1nc2c(c(Nc3ncc(C)s3)n1)CCN(C(=O)c1ccccc1)CC2 257300816 RVUAYTULBWWSAR-UHFFFAOYSA-N 379.489 3.535 0 40 GHAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 603620436 XPIJBGVYQPPELF-QHCPKHFHSA-N 383.447 3.998 0 40 GHAB CN1CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)[C@H](Cc2ccccc2)C1 1659280027 ACRFAWVVFQBTAG-LJQANCHMSA-N 383.442 3.979 0 40 GHAB COc1ccc(-c2noc(CN3CCCC[C@@H]3c3cccc(C)c3C)n2)nn1 649330153 GUUJJGGXXDHUSU-GOSISDBHSA-N 379.464 3.879 0 40 GHAB Cc1cc(-c2ccc(OCCN3CCN(C)CC3)cc2)cc2c(O)ccnc12 649436076 PXOQWOMEICZILW-UHFFFAOYSA-N 377.488 3.542 0 40 GHAB Cc1cnc(Nc2cc(C3CCN(C(=O)/C=C/c4cnc[nH]4)CC3)ccn2)s1 585291430 OSARGPXSPADXJB-NSCUHMNNSA-N 394.504 3.733 0 40 GHAB CSc1nc(Cl)ccc1C(=O)N(C)CC(=O)Nc1c(C)cccc1C 79054603 RMZRQZJSUKDHHR-UHFFFAOYSA-N 377.897 3.784 0 40 GHAB Cc1nc(CCCC(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)cs1 95993290 NYCVABDPZINTNO-QGZVFWFLSA-N 395.532 3.966 0 40 GHAB COc1ccc(CCNC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCCC2)cc1 5001817 SNBAYCCZHNRFGQ-UHFFFAOYSA-N 393.487 3.816 0 40 GHAB CCCCCC(=O)NC(=S)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 5946129 AHNNLZYMSAKGSK-UHFFFAOYSA-N 395.484 3.881 0 40 GHAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 12293730 WAINOKZUJMAMQA-PMACEKPBSA-N 389.442 3.657 0 40 GHAB O=C(c1ncoc1-c1ccc2ccccc2c1)N1CCN(Cc2ccccn2)CC1 13565453 CXRAUHFFEFHXMS-UHFFFAOYSA-N 398.466 3.848 0 40 GHAB COc1ccc(CCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1OC 15614176 GDHUIBYJDCBUHC-UHFFFAOYSA-N 396.531 3.939 0 40 GHAB COc1cccc(CCc2nnc(NC(=O)c3cn4ccc(C)cc4n3)s2)c1 19238206 AIESKXYQUMHKLN-UHFFFAOYSA-N 393.472 3.540 0 40 GHAB CNc1ncccc1CN1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1 19703764 WNRAHFANEZEJQO-FQEVSTJZSA-N 395.482 3.944 0 40 GHAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 6326917 WUDRMOQJOJZESI-NTUHNPAUSA-N 398.278 3.685 0 40 GHAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)Cc4ccccc4)CCO3)n2)s1 643550592 KVHROMTVEGCSRC-GOSISDBHSA-N 394.500 3.733 0 40 GHAB COCCn1c(SCCOc2c(C)cccc2C)nc2ccccc2c1=O 5936281 KFZAZYJFEAWNDS-UHFFFAOYSA-N 384.501 3.831 0 40 GHAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CSCC2=O)cc1 24037399 RTAHMDSMUTVNMG-UHFFFAOYSA-N 392.864 3.612 0 40 GHAB COc1ccnc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)c1 2037988582 YLEJKEGENRAPSV-JOCHJYFZSA-N 383.467 3.893 0 40 GHAB Cc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)c1 5144775 UUIHJZOKAHJZFJ-UHFFFAOYSA-N 394.500 3.853 0 40 GHAB O=c1c2ccccc2n2c(-c3cccs3)nnc2n1Cc1ccc(F)cc1 6781204 FXYGWOUKMWJMAL-UHFFFAOYSA-N 376.416 3.960 0 40 GHAB COc1ccc(OC)c(COC[C@H](O)CN2CCC(Cc3ccccc3)CC2)c1 12420223 SXKBGHXPACOATP-JOCHJYFZSA-N 399.531 3.536 0 40 GHAB O=C(CCc1ccccc1)NC[C@H](c1cccc2ccccc12)N1CCOCC1 23106432 ZMZHGQSHTSPHBN-XMMPIXPASA-N 388.511 3.962 0 40 GHAB COc1ccc(Br)c(C(=O)N2CCC[C@@H](Oc3ccncc3)C2)c1 575611638 FEHGZRNQOASDFF-OAHLLOKOSA-N 391.265 3.536 0 40 GHAB Oc1cc(C2CC2)nc(N2CCN(c3nc4c(Cl)cccc4s3)CC2)n1 2298094979 HMEFIYSKWYGOPD-UHFFFAOYSA-N 387.896 3.649 0 40 GHAB COc1cccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@H](C)C2)c1 33684967 XEFGXOBSBXOELZ-GDZNZVCISA-N 386.521 3.881 0 40 GHAB Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)C4CC4)cc3)C2=O)cc1 112120682 JWCHOXIOQCBFMO-GOSISDBHSA-N 380.469 3.768 0 40 GHAB CC1(C)NC(=O)N(CCCSc2nc3ccccc3n2-c2ccccc2)C1=O 40089642 FITSXRNJTBNMRR-UHFFFAOYSA-N 394.500 3.838 0 40 GHAB COC(=O)c1sccc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 40015821 DRDBNOKWAMWFMQ-UHFFFAOYSA-N 375.837 3.685 0 40 GHAB COc1ccc2cc(C(=O)NCCCC(=O)Nc3ccc(Cl)cc3)[nH]c2c1 40156009 GNFSGVNRTYISDI-UHFFFAOYSA-N 385.851 3.979 0 40 GHAB C/C(NCCC1=CCCCC1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 101090200 UNFXWYDFAAANHU-GHRIWEEISA-N 387.867 3.677 0 40 GHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2)C12CCCC2 32074933 CLPHLYOUDIQPDK-FQEVSTJZSA-N 378.472 3.824 0 40 GHAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102023983 MEMQITQFYKCDMQ-ZZCKCESHSA-N 399.878 3.663 0 40 GHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 32674301 RBTJLQAOIUPFIV-GOSISDBHSA-N 389.455 3.662 0 40 GHAB Cn1ccnc1[C@H](NC(=O)NCC1(c2ccccc2)CC1)c1ccc(F)cc1 32802332 ZHTXULFPUIZFFA-LJQANCHMSA-N 378.451 3.680 0 40 GHAB Cc1ccc2c(CC(=O)OCC(=O)NCC3(c4ccccc4)CC3)coc2c1C 22106144 RGKRAOMRPKULLW-UHFFFAOYSA-N 391.467 3.983 0 40 GHAB Cc1cc(NC(NC(=O)c2ccccc2C)(C(F)(F)F)C(F)(F)F)no1 1036956 HNSTYGKDDYEHDX-UHFFFAOYSA-N 381.276 3.954 0 40 GHAB CCc1ccc(OCc2nnc(SCC(=O)NCc3ccccc3)o2)cc1 908739 YYGNJFWGDZAGNK-UHFFFAOYSA-N 383.473 3.620 0 40 GHAB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2cccc(Br)c2)c1 935456 CVRSDTIGWLPANK-NSHDSACASA-N 380.238 3.872 0 40 GHAB COc1cc(/C=C/C(=O)Nc2nnc([C@H]3CCCO3)s2)ccc1OC(C)C 959387 DYDHADJSFOKESW-LOWQCSRCSA-N 389.477 3.837 0 40 GHAB COc1ccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)cc1 1924416 AXMYPJFAXJYDLF-UHFFFAOYSA-N 378.457 3.930 0 40 GHAB Cc1ccc(N2CCN(c3cc(C)nc4c5c(C)cc(C)nc5nn34)CC2)cc1 2441412 FQXHOPUDFRYQDK-UHFFFAOYSA-N 386.503 3.838 0 40 GHAB O=c1nc(O)n(Cc2ccccc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 2649255 QUOWDXHAGKTZNY-UHFFFAOYSA-N 387.317 3.824 0 40 GHAB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3ncnn32)cc1 4086483 HVMSQDJZDYHOPY-IBGZPJMESA-N 375.432 3.523 0 40 GHAB CCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 4500475 ZSHHNHYRLABUNW-UHFFFAOYSA-N 381.505 3.564 0 40 GHAB CN1C(=O)N(C)[C@]2(c3ccccc3)N(c3ccccc3)C(=O)N[C@@]12c1ccccc1 4762864 ODQIUXKUOIJIPS-BJKOFHAPSA-N 398.466 3.919 0 40 GHAB COc1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 4925007 BTVNVSNPKOCPFG-UHFFFAOYSA-N 398.466 3.915 0 40 GHAB O=C1OCC2=C1[C@H](c1ccc(Br)cc1)CC(=O)N2c1ccccc1 5322524 NDVNBEMOIDBBNT-HNNXBMFYSA-N 384.229 3.781 0 40 GHAB COc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)cc1Cl 5451868 YQLKROONKUPHRL-UHFFFAOYSA-N 390.226 3.800 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)CN1C(=O)NC2(CCCC2)C1=O 5874897 BCGFNYBIRGTFMT-UHFFFAOYSA-N 386.492 3.509 0 40 GHAB CC(C)(C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6232428 LFKIEWJHVFXDHI-OAHLLOKOSA-N 394.471 3.747 0 40 GHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)cc3)C2=O)c1C 6479083 ZZVHPZGZJLVARB-LICLKQGHSA-N 382.441 3.684 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)NCc1ccc2c(c1)OCO2 6510605 CXCQVSHRBGQXCX-CSKARUKUSA-N 393.418 3.687 0 40 GHAB CCOc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)cc1 6595748 BGDZSVNAUVKUTA-UHFFFAOYSA-N 379.445 3.636 0 40 GHAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccccc2Cl)C1=O 6627393 DZFORGGVPPURGS-SFHVURJKSA-N 380.778 3.909 0 40 GHAB COc1cc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c(OC)cc1Cl 6851232 AAADXGTXTDSKPR-UHFFFAOYSA-N 378.837 3.654 0 40 GHAB C[C@@H](OC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc2ccccc2c1 6947357 BFRJAVJQBRAUHO-OAHLLOKOSA-N 391.423 3.724 0 40 GHAB CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCCC[C@@H]2C)C1=O 6965163 HDYZTQIZHQTJLX-VMOJBDSFSA-N 388.489 3.523 0 40 GHAB CN(Cc1ccc(Br)s1)C(=O)c1cncn1-c1ccccc1 7738327 DYWPEVAGAXNEIC-UHFFFAOYSA-N 376.279 3.969 0 40 GHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)c2cccs2)CC1=O 7881512 GPUCAGGFHXYKMU-INIZCTEOSA-N 385.485 3.652 0 40 GHAB COc1ccc(CC(=O)Sc2nnc(-c3ccc(OC)cc3OC)o2)cc1 7939519 TWPFCMLZAIBDLN-UHFFFAOYSA-N 386.429 3.624 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)/C=C/c1ccc2c(c1)OCO2 8009557 JDUBCPLVWINFAR-ZRDIBKRKSA-N 389.455 3.890 0 40 GHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cccc2cccnc12 8346283 XTDWYUQXGUQSMD-UHFFFAOYSA-N 383.835 3.608 0 40 GHAB CC(C)C(NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O)C(C)C 8480041 RJSHCEMDDXXVBY-UHFFFAOYSA-N 388.961 3.683 0 40 GHAB CCCCCOc1cc(S(=O)(=O)n2nnc3ccccc32)ccc1Cl 8714775 KRDHDIUSBVLMQS-UHFFFAOYSA-N 379.869 3.891 0 40 GHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@@H]2c2nnc3ccccn23)c1 8882460 QWJFCNUQCJPWAK-GOSISDBHSA-N 378.476 3.904 0 40 GHAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccc(-n2cnnn2)c1 9596456 APDIAROFJRQENQ-UHFFFAOYSA-N 389.390 3.524 0 40 GHAB COc1ccc(OC)c(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)c1 9876947 PEODWLDNCZQJDJ-UHFFFAOYSA-N 385.533 3.840 0 40 GHAB COc1cc(C(=O)N[C@H](C)c2ccccn2)ccc1OCc1c(C)noc1C 10557411 KXYICTIIKFUFLI-CQSZACIVSA-N 381.432 3.765 0 40 GHAB O=C(NCCc1ccc(-n2cccn2)cc1)c1cc(C2CC2)nn1-c1ccccc1 10820847 YNNDGABXWJRWNQ-UHFFFAOYSA-N 397.482 3.908 0 40 GHAB O=C(OCc1cccc2cccnc12)c1ccc(S(=O)(=O)C(F)F)cc1 11208248 OEWSWOWPANFREL-UHFFFAOYSA-N 377.368 3.588 0 40 GHAB C[C@H](CCc1ccco1)NC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12321096 JFFLPMNJVUMQMU-SJLPKXTDSA-N 393.487 3.751 0 40 GHAB COc1ccc(CCNC(=O)c2nc(-c3ccc(OC(C)C)cc3)no2)cc1 12390764 KHZIXCZCVRLLJU-UHFFFAOYSA-N 381.432 3.505 0 40 GHAB CN1CCN(c2ccc(NC(=O)CCc3ccc(-c4ccccc4)o3)cn2)CC1 12613049 IXWZQJACQHQMPA-UHFFFAOYSA-N 390.487 3.665 0 40 GHAB O=C(c1ccc(-n2cnnn2)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1 12795798 FZFGUWRIGWQLTD-QGZVFWFLSA-N 390.472 3.639 0 40 GHAB O=c1c2cc(Cl)ccc2ncn1C[C@H](O)COc1cc(Cl)ccc1Cl 12852537 UDFHFYOXQWCLEP-LBPRGKRZSA-N 399.661 3.797 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cccnc1N)c1ccccc1 12898612 VGSVBLPRSODHNC-IBGZPJMESA-N 391.427 3.518 0 40 GHAB Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 13147449 OFBJGKJMVMTULR-RWSFTLGLSA-N 392.912 3.657 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N2CCC[C@H](C)C2)cc1 13675510 QUSLRCHIAUVOQC-KRWDZBQOSA-N 386.517 3.692 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1C 14241680 UFNBBIKJJOXXAN-UHFFFAOYSA-N 378.476 3.626 0 40 GHAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 14396644 KAINQIFLJYOMQT-UHFFFAOYSA-N 390.936 3.840 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccc(F)cc2)cc1 15390824 FIROKDMNJXRWCH-SFHVURJKSA-N 390.480 3.706 0 40 GHAB O=C(Cc1csc(Nc2ccc(F)cc2)n1)Nc1ccc2c(c1)OCCO2 16850192 LDGAVTHCZLUVLL-UHFFFAOYSA-N 385.420 3.978 0 40 GHAB Fc1ccc(CN2CCC[C@@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)cc1 19333979 YYRDXUOJLKUSOH-CYBMUJFWSA-N 379.361 3.662 0 40 GHAB Cc1n[nH]c(C)c1Cc1ccc(NC(=O)c2nn3cccnc3c2Cl)cc1 19579104 LNGWTZYVYWGVRP-UHFFFAOYSA-N 380.839 3.566 0 40 GHAB CCc1cc2c(=O)n(CC(=O)N(C)[C@H](CC)c3ccc(F)cc3)cnc2s1 19714954 XHSLWNCLDBSLKW-QGZVFWFLSA-N 387.480 3.769 0 40 GHAB CCC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2OC)CC1 23181675 WNUHFYDYCLADRY-IERDGZPVSA-N 387.549 3.535 0 40 GHAB COc1ccc([C@@H]2[C@@H](C(=O)NC(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 24972978 CCLYNJLFRVOTIF-RBBKRZOGSA-N 396.487 3.713 0 40 GHAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(C(F)(F)F)cc1 29084714 FAWFYNHGXDCROY-GOSISDBHSA-N 378.394 3.509 0 40 GHAB Cc1ccc(C)c(S(=O)(=O)CCSc2nnc(C(C)C)n2C2CC2)c1 29963144 XQOYPNHHLHCMTA-UHFFFAOYSA-N 379.551 3.919 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1cc(C)n(Cc3ccco3)c1C)CC2 31209572 MFNODWQMOHGXPT-UHFFFAOYSA-N 394.471 3.962 0 40 GHAB C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 32147247 FGVYIDJETXUNNR-PBHICJAKSA-N 392.546 3.786 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1F 32586104 YMELVZBBLTYZTO-UHFFFAOYSA-N 378.194 3.537 0 40 GHAB CN(CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)S(=O)(=O)c1cccs1 32716631 BLETUYGILHDCRY-UHFFFAOYSA-N 398.509 3.579 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1C 35241730 SWFMUFMXPJWNPG-JXMROGBWSA-N 384.545 3.632 0 40 GHAB O=C(Cc1cccc2ccccc12)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38725974 QYAKSBAZODUTRA-BJKOFHAPSA-N 398.506 3.857 0 40 GHAB C[C@@H](OC(=O)/C=C/c1ccc2c(c1)OCCO2)c1nnc(-c2cccs2)o1 39982368 PIHZOPPBJQGEGT-HOSRBBHYSA-N 384.413 3.887 0 40 GHAB Cc1ccc([C@H](NC(=O)CSc2nc3nc(C)c(C)c(C)n3n2)C2CC2)cc1 40119188 YQCKJGWRRGRZGF-IBGZPJMESA-N 395.532 3.718 0 40 GHAB Cc1nc2nc(SCC(=O)Nc3cccc(Cl)c3C)nn2c(C)c1C 40119231 WNGZBDQTNOVPPW-UHFFFAOYSA-N 375.885 3.742 0 40 GHAB CC(C)c1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)nn1C(C)(C)C 40141462 BMQGTIPKXJMGTM-UHFFFAOYSA-N 398.551 3.524 0 40 GHAB CCC(=O)N1N=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1cc(OC)ccc1OC 40158766 JLXDJLOQWDNSLU-GOSISDBHSA-N 398.459 3.809 0 40 GHAB COc1cc(-c2nc(CSc3nc4ccccc4[nH]3)n[nH]2)cc(OC)c1OC 40174599 OHTCRLVKSSRJIX-UHFFFAOYSA-N 397.460 3.666 0 40 GHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 44886326 VRCMOVFZIWTIOJ-GOSISDBHSA-N 379.460 3.589 0 40 GHAB CCOC(=O)c1sc2nc(Cc3c(F)cccc3Cl)[nH]c(=O)c2c1C 46438536 TYVIRMHZDMWAEA-UHFFFAOYSA-N 380.828 3.853 0 40 GHAB O=C1CCCc2cc(S(=O)(=O)N(Cc3ccco3)c3ccccc3)ccc2N1 48356332 KSYRPFMPXOQHPK-UHFFFAOYSA-N 396.468 3.950 0 40 GHAB O=C(CNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)NCc1ccco1 52397952 HIBVSIPBALIQFY-ISVJADKWSA-N 392.499 3.550 0 40 GHAB CCc1ccc([C@H](NCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)C(C)C)cc1 57661315 GDWQATQOGWZNEB-HXUWFJFHSA-N 396.491 3.621 0 40 GHAB O=C(Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)Nc1ccc(Cl)cc1 62006870 VNBQUCMYYPXODR-UHFFFAOYSA-N 396.878 3.679 0 40 GHAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC(c2nnc3ccccn23)CC1 67443094 WMVSZTOWUOAVLY-CQSZACIVSA-N 383.883 3.589 0 40 GHAB COc1ccccc1S(=O)(=O)Nc1cc(F)ccc1Sc1nccn1C 72282597 HNEJQAUEIBKWQX-UHFFFAOYSA-N 393.465 3.520 0 40 GHAB CCC[C@H]1SCCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 72288338 WTQCEAQEHUWXFV-OAHLLOKOSA-N 396.559 3.864 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2O)cc1Cl 72301169 GGHMUBKZPIQMEG-UHFFFAOYSA-N 392.658 3.618 0 40 GHAB Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@@H](c1cccnc1)SCC(O)=N2 79489227 MSHRYCHSCFELLI-QGZVFWFLSA-N 380.429 3.698 0 40 GHAB CCCCN(C)C(=O)Cn1c([C@@H]2CCCN2C(=O)C(C)C)nc2ccccc21 82087172 VCVJJDFLXLGAJW-IBGZPJMESA-N 384.524 3.614 0 40 GHAB CN(C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 83869417 YCJJQWCAIFNDFU-CVEARBPZSA-N 397.418 3.875 0 40 GHAB CC(=O)c1cccc(S(=O)(=O)N(Cc2ccoc2)Cc2cccs2)c1 90747937 OKSFDYVTTPHFHP-UHFFFAOYSA-N 375.471 3.935 0 40 GHAB Cc1nn(C)cc1CNc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 96011406 BAUGWYVTOCPRIE-UHFFFAOYSA-N 391.504 3.681 0 40 GHAB O=C(CCc1cccnc1)N1CC[C@@]2(CCN(CCCc3ccccc3)C2)C1 96071129 CJQHCLOWDUDTDV-XMMPIXPASA-N 377.532 3.571 0 40 GHAB CN(C)C1CCN(C(=O)c2cc3c(c4ccccc4n3CC3CC3)n2C)CC1 96146492 BSKGRDDUHRYSPY-UHFFFAOYSA-N 378.520 3.709 0 40 GHAB Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CCN(C(=O)CC(C)(C)C)C1 96244707 PFSUNUOMHPUQME-QHCPKHFHSA-N 379.504 3.889 0 40 GHAB Cc1ccc(NC(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1C 96381051 CQVUPIAFICVUPH-UHFFFAOYSA-N 378.881 3.647 0 40 GHAB COc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)cc2)c1 96902037 LTTABOIVTMEXPW-WOJBJXKFSA-N 390.439 3.793 0 40 GHAB Cn1c(=O)oc2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc21 102294515 HUXORLWRGVKPNC-UHFFFAOYSA-N 399.353 3.636 0 40 GHAB CCn1c(S)nc2cc(C(=O)Nc3ccc4[nH]c(C)cc4c3)ccc2c1=O 103124877 JKVLBJVLXCAZPM-UHFFFAOYSA-N 378.457 3.747 0 40 GHAB Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N1CCC(CO)CC1 105261547 MHAALXLCHMGNGA-CYBMUJFWSA-N 377.485 3.733 0 40 GHAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(CN3CCCC3=O)cc2)c1 219230842 GACSDGPWUOWCBP-UHFFFAOYSA-N 394.515 3.959 0 40 GHAB CC[C@H](NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C)cc1 220147250 BXUWJAWVEIDVFQ-PXNSSMCTSA-N 388.533 3.725 0 40 GHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccccc1OC 222909431 GRPWYJYJBVCFJN-INIZCTEOSA-N 386.467 3.668 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 223197866 WXCGAOKUBKHWCS-IBGZPJMESA-N 388.508 3.861 0 40 GHAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSc1ccc(C)cc1 223461032 ZDZNOIBJDQHDQD-FQEVSTJZSA-N 384.545 3.683 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1C 223686278 LZSZVMSTRKZGFM-UHFFFAOYSA-N 377.506 3.658 0 40 GHAB CC1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)CC1 224153363 WZJGHNGJYCNDMC-UHFFFAOYSA-N 390.480 3.523 0 40 GHAB COC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc2ccccc2c1 225043139 PGUOXCHRHHXTAE-UHFFFAOYSA-N 383.469 3.825 0 40 GHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3c(F)cccc3F)ccc21 225709195 MBARGJCUBMGXDR-UHFFFAOYSA-N 384.429 3.723 0 40 GHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3c(F)cccc3F)ccc21 225726951 BCWFOGWJSRYQGF-UHFFFAOYSA-N 384.429 3.552 0 40 GHAB CSc1ccccc1C(=O)NC1CCN(c2nc(C)nc3c2CCCC3)CC1 225738510 BJHYPOVYROJQAP-UHFFFAOYSA-N 396.560 3.785 0 40 GHAB Nc1nc2ccc(NC(=O)COc3ccc(Br)cc3)cc2s1 226311763 OEXFJGQTODMQPC-UHFFFAOYSA-N 378.251 3.659 0 40 GHAB Cc1ncncc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 257220376 DKOYAXWSGNFDPZ-HDJSIYSDSA-N 383.477 3.600 0 40 GHAB COc1ccc(-c2oc3c(c2CC(=O)O)c(=O)oc2ccccc23)cc1OC 524729193 ICNKKXYEJATOLG-UHFFFAOYSA-N 380.352 3.851 0 40 GHAB biogenic COc1ccc([C@@H]2CCCN2C(=O)COc2coc(C)cc2=O)c2ccccc12 524734203 HUQCVXDSUDAJGL-IBGZPJMESA-N 393.439 3.853 0 40 GHAB O=C(C[C@H](c1ccsc1)n1cccc1)N1CCN(Cc2ccccc2)CC1 524735419 BEBMXOPDDDQUQS-OAQYLSRUSA-N 379.529 3.874 0 40 GHAB O=C(O)COc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1 543710631 CXOBWMNEYOYSEH-UHFFFAOYSA-N 377.396 3.981 0 40 GHAB CS(=O)(=O)n1[nH]c(=Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 575442861 HAELBXJMBFECNE-UHFFFAOYSA-N 397.287 3.907 0 40 GHAB O=C(NCCc1ccc2c(c1)CCO2)N1CC2(CCOCC2)[C@H]1c1ccccc1 581930580 KEYOLVRACBKPGL-JOCHJYFZSA-N 392.499 3.727 0 40 GHAB CCCc1nnsc1C(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 585148276 VTSBMUXGBDPMSV-LLVKDONJSA-N 379.532 3.744 0 40 GHAB O=C(c1ccc(Oc2nccs2)cc1)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618255785 ZDAPAADPHYOREL-GJZGRUSLSA-N 381.461 3.535 0 40 GHAB OCCCc1ccc2c(c1)CN(Cc1ccccc1)CCNCCCCCO2 643580121 KXEZEFCHCTXDJM-UHFFFAOYSA-N 382.548 3.766 0 40 GHAB O=C(O)[C@H](c1cccnc1)N1CCC(Oc2cccc(Br)c2)CC1 652435516 NZFJLUUJBGYBPM-KRWDZBQOSA-N 391.265 3.513 0 40 GHAB O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)Nc1ccc(Cl)c(Cl)c1 664327149 GBDRSPMSFMNRRV-INIZCTEOSA-N 394.302 3.882 0 40 GHAB CC1(C)Oc2c(C(=O)c3ccccc3)c(O)cc3c2[C@H]2[C@H]1CC[C@](C)(O)[C@@H]2O3 1534685664 NYTKAZDWAQTEPR-WDKGUYEXSA-N 380.440 3.800 0 40 GHAB O=S(=O)(Cc1cc(F)cc(F)c1)N[C@@H](c1cccs1)C1CCOCC1 1565523225 JODVHXSBMUUXRG-QGZVFWFLSA-N 387.473 3.614 0 40 GHAB Cc1ccsc1CN1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615155031 JKEQYDBPKNEPFZ-NRFANRHFSA-N 388.508 3.984 0 40 GHAB CCn1ncc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)c1C 1615159818 PQHHYCWOGRSNGM-UZLBHIALSA-N 384.499 3.870 0 40 GHAB Cc1nc(C2CC2)nc(OCC2CCN(c3ncnc4cnccc34)CC2)c1C 1888914300 MJHPQXXBLRSZSX-UHFFFAOYSA-N 390.491 3.604 0 40 GHAB Cc1ccc2cc([C@H]3CC(c4ccco4)=NN3S(C)(=O)=O)c(Cl)nc2c1 644933 ZWNMTGDJVLSHBG-MRXNPFEDSA-N 389.864 3.900 0 40 GHAB O=C(Nc1ccc(F)cc1F)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 665304 PJQRBIDTXFMGOG-JTQLQIEISA-N 395.203 3.719 0 40 GHAB Cc1ccc(C(=O)Nc2nnc(SCC(=O)NCc3ccccc3)s2)cc1 1381610 KEFQXCXICUHEKG-UHFFFAOYSA-N 398.513 3.507 0 40 GHAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 1747357 HYPICOQOBKGXGA-KRWDZBQOSA-N 375.852 3.620 0 40 GHAB COC[C@H](C)OC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2210373 MGEOMQWYUVZQEC-AWEZNQCLSA-N 390.443 3.656 0 40 GHAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c1 2617029 DFQWMQJZPXXSTH-BJMVGYQFSA-N 392.354 3.745 0 40 GHAB COc1cc(C(=O)NCc2ccc(F)cc2)ccc1OCc1c(C)noc1C 2644140 RHFKWBRRHLTQJI-UHFFFAOYSA-N 384.407 3.948 0 40 GHAB COCCNC(=S)N(CCc1c(C)[nH]c2ccc(C)cc12)Cc1ccncc1 2722409 ZKJSOQWQWBWWIW-UHFFFAOYSA-N 396.560 3.745 0 40 GHAB COc1ccc(-c2nsc(SCC(=O)Nc3ccccc3OC)n2)cc1 3007373 HIAFWOMTIRTUTC-UHFFFAOYSA-N 387.486 3.953 0 40 GHAB CCc1cccc(CC)c1NC(=O)COC(=O)/C=C/c1ccc(O)c(OC)c1 3230233 VAAVLKLCPPKZEL-ZRDIBKRKSA-N 383.444 3.721 0 40 GHAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3262192 DNLUNSPDULTTLX-UHFFFAOYSA-N 381.215 3.747 0 40 GHAB O=C(COC(=O)/C=C/c1ccccc1F)Nc1ccc(Br)cc1 3496041 NDFWGWAKUPPBJM-BJMVGYQFSA-N 378.197 3.783 0 40 GHAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2cccc(C)c2)C(=O)[C@]31C 4073202 MLATYPQDUCPGPQ-QFIPXVFZSA-N 375.428 3.725 0 40 GHAB biogenic CCN1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)OC)C1 4086920 BEERAYOGDLWZMI-UHFFFAOYSA-N 378.881 3.818 0 40 GHAB CC[C@H](CO)NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 4139849 IASAZPVIHDOTBO-HUUCEWRRSA-N 381.303 3.823 0 40 GHAB CN(C)CCCN(C(=O)COc1ccccc1)c1nc2c(F)cccc2s1 4359783 OZLGTHDJPSCKSY-UHFFFAOYSA-N 387.480 3.799 0 40 GHAB O=C(Nc1ccc(F)cc1F)C1CCC(Cn2nnc3ccccc3c2=O)CC1 5245993 QVFGYRYZQUUYIN-UHFFFAOYSA-N 398.413 3.515 0 40 GHAB CCOc1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4F)nnc3c2c1 5444674 WEIDTVLIDHZEEF-UHFFFAOYSA-N 397.435 3.775 0 40 GHAB O=C(COC(=O)c1c(Cl)cccc1Cl)NC(=O)Nc1ccccc1F 5532115 MVULIHACNZBQNV-UHFFFAOYSA-N 385.178 3.638 0 40 GHAB CN1CCN(NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1 5569893 AARNCVJDLUZFMV-UHFFFAOYSA-N 392.475 3.637 0 40 GHAB O=C(NC(=S)Nc1ccccc1O)c1cc(Br)ccc1Cl 5616651 LLXPKAGBZNQUAX-UHFFFAOYSA-N 385.670 3.935 0 40 GHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccccc1 6146625 QRWNZQCJQVKZGQ-UHFFFAOYSA-N 398.459 3.865 0 40 GHAB O=C(COc1ccccc1Cl)Nc1ccccc1I 6153002 DVSWCWSZCVRVGM-UHFFFAOYSA-N 387.604 3.962 0 40 GHAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 6766806 LNCIUFFHHMQEBO-UHFFFAOYSA-N 396.443 3.829 0 40 GHAB Cc1cc(COC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)no1 7016021 YNKQWCSRXDFCKG-UHFFFAOYSA-N 384.457 3.905 0 40 GHAB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 7054761 SQTKKGURTZQYDG-UHFFFAOYSA-N 384.860 3.762 0 40 GHAB C[C@H](OC(=O)CCSc1ccc(F)c(F)c1)c1nc2ccccc2c(=O)[nH]1 7213400 KXNUUAJSJALVKK-NSHDSACASA-N 390.411 3.988 0 40 GHAB Cc1ccc(CN(C)C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)o1 7229850 YHMWAVIJLMZAMX-UHFFFAOYSA-N 382.489 3.797 0 40 GHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1c(-c2ccccc2)noc1C 7737618 BBZKLUUYFRUVKB-UHFFFAOYSA-N 395.434 3.568 0 40 GHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)Cc2cccs2)c1C 8036936 SYDGLROKXSSQIU-KRWDZBQOSA-N 386.517 3.554 0 40 GHAB C[C@@H](NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1)c1ccccc1 8265944 SMKFPWZFNLOPLR-OAHLLOKOSA-N 377.396 3.793 0 40 GHAB O=C(O)CCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 8434643 ZKOGNHOSAUNSNS-UHFFFAOYSA-N 380.322 3.761 0 40 GHAB Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1 8471242 BCWJPYBVTNWFEG-ZOAFEQKISA-N 377.465 3.992 0 40 GHAB COC(=O)c1ccc2nc(NC(=S)NC(=O)c3cccc(C)c3)sc2c1 8904297 KMXQWAFZNMRHSK-UHFFFAOYSA-N 385.470 3.518 0 40 GHAB O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc2noc(-c3ccccc3)c2c1 9051698 KBZJXDLWRXOAIL-HXUWFJFHSA-N 386.407 3.921 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccccc1 9236365 RACGIKVLNWRPQQ-IRXDYDNUSA-N 399.907 3.946 0 40 GHAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc(Cl)c(Cl)c1 9454900 KWZQJIPPHITCPF-UHFFFAOYSA-N 391.258 3.676 0 40 GHAB COc1ccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1O 9750267 CILGEVLCUUHKNX-UHFFFAOYSA-N 392.411 3.562 0 40 GHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 10029343 HHYWXUINQKVTGC-HXUWFJFHSA-N 399.406 3.563 0 40 GHAB O=C(CNc1ccccc1C(=O)NC1CC1)Nc1ccc(Cl)c(Cl)c1 10753007 WEIXUPDAXGWAHS-UHFFFAOYSA-N 378.259 3.936 0 40 GHAB O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(NC(=O)c2ccco2)cc1 11535260 BSOBSYDKKHWJGM-UHFFFAOYSA-N 392.411 3.510 0 40 GHAB CC(=O)NC1(c2ccc(F)cc2)CCN(C[C@@H](O)c2ccc(C)c(C)c2)CC1 12188326 ZOUUAMOIAWVBEH-JOCHJYFZSA-N 384.495 3.603 0 40 GHAB O=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(F)c(F)c1 12440926 QHVNBHJENIAQHG-UHFFFAOYSA-N 387.361 3.747 0 40 GHAB C[C@@H](NC(=O)COc1cccc(-n2cnnn2)c1)c1ccc(-c2ccccc2)cc1 12588428 DUGCJHQTMICUKN-QGZVFWFLSA-N 399.454 3.586 0 40 GHAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(OC)c1 12601838 HYEWUXUPEJTEGM-XTXLJPNXSA-N 377.444 3.957 0 40 GHAB O=C(/C=C/c1cc2ccccc2o1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 12849717 BXSKUYZWELHGOZ-GNISGLHKSA-N 395.480 3.662 0 40 GHAB O=C(Nc1ccc(OC(F)F)cc1)[C@H]1CCCCN1C(=O)c1cccs1 12890735 IVXRGLZAQDIWBV-CQSZACIVSA-N 380.416 3.983 0 40 GHAB COc1cc(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)cc(OC)c1 12928014 ALWVLTGKOZHEQK-UHFFFAOYSA-N 384.461 3.572 0 40 GHAB O=C1NC2(CCCCC2)C(=O)N1CN1CCC[C@@H](c2nc3ccccc3s2)C1 13041735 QLSBDVLYLYICAR-OAHLLOKOSA-N 398.532 3.688 0 40 GHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccncc1 13207186 NTENQGFOIPJQMD-FQEVSTJZSA-N 384.391 3.639 0 40 GHAB O=C(NC12CC3CC(CC(C3)C1)C2)N1[C@H]2CC[C@@H]1CC(O)(c1cccnc1)C2 13563691 LPBHSCZFPKGHDD-LWKXBXROSA-N 381.520 3.574 0 40 GHAB CC[C@H](C(=O)Nc1cc(Cl)ccc1C)N(c1ccccc1)S(C)(=O)=O 13711253 OPIWJLXEPJMWDW-QGZVFWFLSA-N 380.897 3.832 0 40 GHAB CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Br 13779329 GIUVUYGUDGNVPA-UHFFFAOYSA-N 385.261 3.953 0 40 GHAB NC(=O)CCN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccc1 14023609 ZUGQGRRLJYAECH-UHFFFAOYSA-N 387.483 3.670 0 40 GHAB Cc1c(-c2ccccc2)sc(NC(=O)[C@@H]2C[C@H]2C)c1C(=O)N1CCOCC1 14389881 OBIMNTYSYHZCBX-CZUORRHYSA-N 384.501 3.790 0 40 GHAB Cc1ccnn1CCC(=O)N1CCCC[C@@H]1c1ccnc2cc(C(C)(C)C)nn12 19238457 YETASGWBRNZXAB-QGZVFWFLSA-N 394.523 3.676 0 40 GHAB O=C(c1ccccc1)[C@H]([C@H](c1ccccc1)N1CCOCC1)N1CCCCC1 19365929 XQNGBFJNJXVYJR-GOTSBHOMSA-N 378.516 3.797 0 40 GHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)c2ccccc2)CC1 19496081 CVYRNNCQDGBQPZ-CALCHBBNSA-N 394.519 3.833 0 40 GHAB CCCC(=O)N1CC[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 19501038 VZVYLQXHDNHFCG-DEOSSOPVSA-N 391.515 3.589 0 40 GHAB CCN(CC)CCN1Cc2cc3c(C)nn(-c4ccc(F)cc4)c3nc2OC1=O 19526383 TXTLKSAXMJDJAU-UHFFFAOYSA-N 397.454 3.524 0 40 GHAB CCN(Cc1ccccc1)[C@@H](c1cccnc1)c1nnnn1Cc1ccccc1 19526643 OIEJULRTURTJGF-QFIPXVFZSA-N 384.487 3.728 0 40 GHAB Cc1c(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)oc2ccccc12 19566164 MQBCIWOIYABFSF-IBGZPJMESA-N 390.487 3.887 0 40 GHAB CCOC(=O)c1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1Cl 20038709 UDTDFEBSSYSLRB-UHFFFAOYSA-N 393.823 3.795 0 40 GHAB CC(C)Oc1ccc(CNS(=O)(=O)Cc2ccc(Br)cc2)cc1 20048419 HCRJVRCLTGMABG-UHFFFAOYSA-N 398.322 3.856 0 40 GHAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 20486693 URKBGDQOHLCKIT-MSOLQXFVSA-N 388.533 3.644 0 40 GHAB COc1ccc(/C=C/C(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)cc1 20609595 MCLIQYDWYWYPCY-DHZHZOJOSA-N 391.456 3.822 0 40 GHAB COCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20735644 JHBHFTGASNNDKE-HXUWFJFHSA-N 384.520 3.634 0 40 GHAB O=C(CCC(=O)N1CCCSc2ccccc21)N1CCC(c2ccccc2)=N1 22828538 JNEOFMPBITXPAX-UHFFFAOYSA-N 393.512 3.932 0 40 GHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CCN(Cc2ccsc2)CC1 22933191 PYTQOLLGYZOXSY-ZDUSSCGKSA-N 381.904 3.685 0 40 GHAB O=C(Cc1cccc2ccccc12)NC[C@H](c1ccc(F)cc1)N1CCOCC1 23106259 MEPYIIGNFBQVNA-HSZRJFAPSA-N 392.474 3.711 0 40 GHAB CC[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1 25452631 OZGVMBPQVSFXSN-GOSISDBHSA-N 394.924 3.682 0 40 GHAB COc1ccc([C@H](CNC(=O)COc2cccc(C)c2)N2CCCCC2)cc1 27667774 LOHADAVWONDICA-QFIPXVFZSA-N 382.504 3.726 0 40 GHAB Cc1cccc(Cn2ccc(NS(=O)(=O)c3cccc4cccnc34)n2)c1 27916378 BQSNSJHDABNHCR-UHFFFAOYSA-N 378.457 3.589 0 40 GHAB CN(C)Cc1ccccc1NC(=O)COc1ccc(Br)cc1F 31233225 VMRZPNJPGJXTJY-UHFFFAOYSA-N 381.245 3.667 0 40 GHAB C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccc2c(c1)OCCO2 32678833 VQTZNNGNLJZDPK-HNNXBMFYSA-N 379.456 3.787 0 40 GHAB Cc1ccccc1CN(C)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 32718886 UASFLNWKZWDZGW-UHFFFAOYSA-N 379.485 3.905 0 40 GHAB Cc1ccc([C@@H]2CCCN2C(=O)CCn2cnc3c(C)cccc3c2=O)cc1 32754134 CVZQQLRKAFMLBH-FQEVSTJZSA-N 375.472 3.767 0 40 GHAB CC1CCC(NC(=O)C[S@](=O)Cc2ccc(F)cc2Br)CC1 32765027 WHGCKGZVRLUVDS-BPCWQTQSSA-N 390.318 3.532 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)nc2O)cc1 32778599 LVCMDRAOUXJORN-UHFFFAOYSA-N 388.399 3.562 0 40 GHAB CC[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1csc(-c2cccs2)n1 32929876 RACFNMSGGTVRRB-AWEZNQCLSA-N 398.575 3.578 0 40 GHAB Cc1ccc(-c2cnn([C@H](C)C(=O)Nc3cc(Cl)ccc3C)c(=O)n2)cc1 33324603 QFUHBNXLQIDTET-CQSZACIVSA-N 382.851 3.775 0 40 GHAB CCCOc1ccc(-c2nc3s/c(=C/c4ccc(Cl)cc4)c(=O)n3n2)cc1 33662147 YFMBCNTXZYMZET-SFQUDFHCSA-N 397.887 3.808 0 40 GHAB CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)C(O)=NC2=S)cc1 33668074 ZSBLVMHZNNWAJX-LFIBNONCSA-N 394.452 3.692 0 40 GHAB O=C(Nc1nnc(SCCN2CCCC2)s1)C12CC3CC(CC(C3)C1)C2 35316073 WYHDYARJKBTKJT-UHFFFAOYSA-N 392.594 3.881 0 40 GHAB CCCCN(C(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12)c1nccs1 36619335 FBJWMESPEFCCEJ-UHFFFAOYSA-N 396.451 3.834 0 40 GHAB CCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O 40114103 XQBBSGBJNRFVTO-NRFANRHFSA-N 381.432 3.528 0 40 GHAB COC(=O)c1cccc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)c1 40133720 LVDDLSYHTKTRJT-UHFFFAOYSA-N 379.334 3.965 0 40 GHAB CC(=O)Nc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 40140047 HSOHGMNEDBDCFQ-UHFFFAOYSA-N 396.397 3.850 0 40 GHAB O=C(NCC1CCN(C(=O)/C=C/c2ccco2)CC1)c1c(F)cccc1Cl 44002004 WATXYTGECDIITP-VOTSOKGWSA-N 390.842 3.754 0 40 GHAB O=C(Nc1ccc(OC[C@H](O)c2ccc3c(c2)OCO3)cc1)c1cccs1 48368767 SRZLLGQQFOXCGP-INIZCTEOSA-N 383.425 3.842 0 40 GHAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2cccc(Br)c2)no1 49006326 LBQDJFFPACYSHE-UHFFFAOYSA-N 395.216 3.712 0 40 GHAB O=C(CN1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)Nc1ccc(F)cc1 49403414 KQLOSAFNIALKJY-UHFFFAOYSA-N 398.413 3.833 0 40 GHAB COc1ccc(-c2noc(CS(=O)(=O)[C@H](C)c3ccccc3F)n2)cc1 52439700 ICNMAUQOFCJEBL-GFCCVEGCSA-N 376.409 3.560 0 40 GHAB CCCNC(=O)CN(CCC)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C 54327695 FZFJUHBTCAZNFY-UHFFFAOYSA-N 388.537 3.564 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 55650924 YGGMEDORSHCPMB-UHFFFAOYSA-N 388.489 3.512 0 40 GHAB Cc1nc(NC(=O)c2oc3c(C)ccc(C)c3c2C)sc1SCC(N)=O 56392672 FBWNGVBSIJJDPQ-UHFFFAOYSA-N 389.502 3.953 0 40 GHAB O=C(NCCN1CCOCC1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 58401047 MBOTWTSRBKKEIL-UHFFFAOYSA-N 394.393 3.560 0 40 GHAB C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 62580813 QLUZFWRFVCUDMF-CYBMUJFWSA-N 390.365 3.542 0 40 GHAB Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)c3c[nH]nc3C)CC2)n1 72362544 GYZYHANNDGNCCP-UHFFFAOYSA-N 377.448 3.629 0 40 GHAB Cc1nc([C@@H]2CCCN(C(=O)/C(=C/c3ccco3)c3ccccc3)C2)cc(=O)[nH]1 82039535 CFESQHVHITXFDK-JZQBQCRLSA-N 389.455 3.618 0 40 GHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)NCCc2cccc(F)c2F)CC1 95958690 DUNOGRDUILNDEZ-UHFFFAOYSA-N 388.414 3.517 0 40 GHAB COc1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 95998721 DGPBMVWXKUIRHN-KRWDZBQOSA-N 396.491 3.567 0 40 GHAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21)NC1CC1 96052999 DMOKQNQUIBKGND-QGZVFWFLSA-N 378.472 3.610 0 40 GHAB O=C(CCc1ccccc1Br)NC1CCN(c2nccs2)CC1 96099804 QDALSVUZSSJURE-UHFFFAOYSA-N 394.338 3.623 0 40 GHAB CN1CCN(C(=O)c2cc3ccc(-c4ccccc4)cn3c2-c2cocn2)CC1 96155521 HZVJDVDYAARJNW-UHFFFAOYSA-N 386.455 3.649 0 40 GHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2)CC1=O 96590645 QQIVIZRVUOETQQ-NSHDSACASA-N 379.243 3.994 0 40 GHAB Cc1nnc(SCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)n1Cc1ccccc1 102761460 JPNXWUXTYKWEKI-AXUOBQJMSA-N 384.549 3.668 0 40 GHAB Cn1c(S)nc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2c1=O 102828884 DCNLCWHQPJCAGO-UHFFFAOYSA-N 380.256 3.781 0 40 GHAB COc1cc(C)c(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1C(C)C 193441165 MUJXLRIYGDKVCA-UHFFFAOYSA-N 376.478 3.886 0 40 GHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCCN(C)c1ccccc1 219692264 TVYGCHUTZHDFDC-OAHLLOKOSA-N 391.309 3.859 0 40 GHAB Cc1ccc([C@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)c1 222589013 KXVBUWLAORHNHB-KRWDZBQOSA-N 386.517 3.724 0 40 GHAB COc1cc(C)c(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1C 223738272 XBDDCOVCXQLVGV-UHFFFAOYSA-N 391.533 3.967 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C 225071668 AENSTRLWEBJXAQ-FQEVSTJZSA-N 382.504 3.707 0 40 GHAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)COc2ccc(OC)cc2)c1 225265965 GAMYJDDJWKYCTF-AWEZNQCLSA-N 388.489 3.544 0 40 GHAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 225388997 IVCKPQNRVQFAHE-QFIPXVFZSA-N 396.531 3.880 0 40 GHAB C[C@@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NC(C)(C)C)n1 225896409 GVGSJSYXVNIWSV-SNVBAGLBSA-N 375.464 3.959 0 40 GHAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4cccnc4)C3)o2)cc1 257264282 LTSCONGQMHABFN-SFHVURJKSA-N 377.444 3.689 0 40 GHAB Cn1nccc1CN1[C@H]2CC[C@H]1c1cnc3cc(-c4cccc(F)c4)nn3c1C2 257288429 PUDZGMOPNMKSAQ-JXFKEZNVSA-N 388.450 3.531 0 40 GHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC[C@]2(CC=CCN(C)C2=O)C1 257311500 UJTQDOZBSYTMEK-HSZRJFAPSA-N 396.510 3.629 0 40 GHAB COc1ccc2c(c1)[C@H]1OCC3(CCN(Cc4c[nH]cn4)CC3)C[C@@H]1C(C)(C)O2 257337580 YTJXUTSRLUMJAL-PZJWPPBQSA-N 397.519 3.949 0 40 GHAB Cc1ccc(N([C@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 260842838 XTSPPEUBTPYUAT-QGZVFWFLSA-N 396.512 3.619 0 40 GHAB Cc1cccc(C(=O)N2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 306127440 FYQBNQAIWPQSQG-LJQANCHMSA-N 389.503 3.658 0 40 GHAB Cc1ccsc1CCC(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390830104 ISRYGIGOKLPIFN-GOSISDBHSA-N 395.521 3.517 0 40 GHAB Cc1c(Cl)cccc1N1C[C@H](C(=O)O[C@H](C)C(=O)c2ccccc2)CC1=O 408640929 BQKVBWQKXUIBJG-GDBMZVCRSA-N 385.847 3.816 0 40 GHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1OC 408699558 XVIWYSSZOJPWLB-UHFFFAOYSA-N 382.869 3.806 0 40 GHAB COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1 409121604 WZQDCSJSCZQSBK-HNNXBMFYSA-N 390.505 3.612 0 40 GHAB O=S(=O)(NCc1ccnc(-c2ccncc2)c1)c1ccc2c(c1)CCCC2 575413832 YXIZFMKFWYSUBV-UHFFFAOYSA-N 379.485 3.501 0 40 GHAB O=C(CCSc1ccccc1)NCc1nnc2c(C(F)(F)F)cccn12 575613192 WTASBKUSJIKRES-UHFFFAOYSA-N 380.395 3.547 0 40 GHAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)O[C@@H](C(=O)N(C)C)c2ccccc23)c1 585109629 GQOJPOCQRDEVRP-OAQYLSRUSA-N 392.499 3.594 0 40 GHAB c1ccc(C(c2ccccc2)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1 607058591 WWPPKCHGVXMTBO-UHFFFAOYSA-N 396.498 3.574 0 40 GHAB Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)Cc2nnn(C(C)(C)C)n2)c1 622862172 XMIPQXFHWUKFHN-UHFFFAOYSA-N 398.898 3.561 0 40 GHAB Cc1nc(C(=O)N2CC[C@H](COc3ccc(-c4cccc(F)c4)nn3)C2)cs1 1888904015 PHLRMBVQZJGKQK-AWEZNQCLSA-N 398.463 3.589 0 40 GHAB Cc1cc(C)c(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)c(C)c1 2037977812 LHANNVYWWCNKIY-DEOSSOPVSA-N 392.499 3.650 0 40 GHAB COc1cccc(CN2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)c1F 2037983765 DYDSGHBTEMHLFD-QHCPKHFHSA-N 398.478 3.622 0 40 GHAB O=C1N(c2ccccc2)CCCC[C@]12CN(Cc1ccc(Cl)cn1)CCO2 2037984304 WZWCPKGFEWNYLV-NRFANRHFSA-N 385.895 3.523 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cc1 24469485 XNVORUDPQDVYJZ-UHFFFAOYSA-N 383.391 3.702 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1 857090 OYDFHBAXALJNHC-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB Cc1ccc(-n2c(SCC(=O)NC(C)C)nnc2-c2cccnc2)c(C)c1 1355995 AICJCASJPXZWQF-UHFFFAOYSA-N 381.505 3.563 0 40 GHAB Cc1noc(-c2ccc(C(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2)n1 55945648 CTENCGFRRZLIAT-MOPGFXCFSA-N 381.407 3.834 0 40 GHAB O=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680790 IAULYUPIOXJRRC-UHFFFAOYSA-N 384.567 3.765 0 40 GHAB Cc1cc(-n2c(C)cc(/C=C3/NC(=O)N(C)C3=O)c2C)ccc1Br 6963726 RWSLYAZPWVVJME-CXUHLZMHSA-N 388.265 3.688 0 40 GHAB CCc1[nH]c(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)c(C)c1C(=O)OC 26091405 QLHMAEOZWUZALZ-GFCCVEGCSA-N 383.404 3.640 0 40 GHAB C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)c1ccc2c(c1)CCC2 26266033 CYJVNPLIEMYRDA-HNNXBMFYSA-N 393.512 3.666 0 40 GHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)NCCOc2ccc(Cl)cc2)c1 26378608 STDPOSXLQJWJJK-CYBMUJFWSA-N 375.856 3.738 0 40 GHAB OCCN1CCN(CC/C=C2\c3ccccc3COc3ccc(Cl)cc32)CC1 102036582 RAAHIUIRJUOMAU-AERZKKPOSA-N 398.934 3.664 0 40 GHAB Cc1cc(=O)c(C(=O)N(C)c2ccccc2)nn1-c1cccc(C(F)(F)F)c1 26765238 UHTLHZYFPRCHDR-UHFFFAOYSA-N 387.361 3.836 0 40 GHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N[C@@H]1CCCc2ccccc21 8319713 WGLRDWAGGIBHGS-NHCUHLMSSA-N 392.499 3.789 0 40 GHAB C[C@H](NC(=O)CSc1ccc2ccccc2n1)c1ccc2c(c1)OCCO2 8447846 AVIGQRSKUFQQTE-AWEZNQCLSA-N 380.469 3.976 0 40 GHAB CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 58222994 YGFHRLARZJDXIQ-DLBZAZTESA-N 378.900 3.959 0 40 GHAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)Nc1cc(Cl)cc(Cl)c1 44918928 IXPSEJZUHRUZRB-UHFFFAOYSA-N 392.217 3.995 0 40 GHAB CCCCc1cc(=O)oc2cc(OC(=O)CCNC(=O)OC(C)(C)C)ccc12 2152006 LBXMSTFKIHFPKQ-UHFFFAOYSA-N 389.448 3.956 0 40 GHAB biogenic CCOC(=O)N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 28197428 DXPKTAMYXMPOKZ-UHFFFAOYSA-N 378.881 3.983 0 40 GHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1coc(-c2cccs2)n1 10884544 GWBJVCBSAWNOEB-UHFFFAOYSA-N 390.848 3.687 0 40 GHAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 2312402 PBNOLXFGMFOWLU-DEOSSOPVSA-N 387.435 3.703 0 40 GHAB COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NC(=O)c1cccs1 2351896 UTTFPGBONLMZSK-UHFFFAOYSA-N 391.452 3.923 0 40 GHAB CCOc1ccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1 100749989 ZPZSEXJIEPZFSB-SELNLUPBSA-N 381.520 3.645 0 40 GHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2)c1 107655750 UWXXWPLVOZSCIM-GFCCVEGCSA-N 396.896 3.678 0 40 GHAB O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccsc1 29154194 YYYLBQAWECEHFD-UHFFFAOYSA-N 397.466 3.709 0 40 GHAB CCOC(=O)c1c(NC(=O)[C@@H](C)NCc2ccco2)sc2c1CC[C@H](C)C2 3292308 MAVYPFZMAMHYOF-QWHCGFSZSA-N 390.505 3.759 0 40 GHAB C[C@H]1CCCN(CCCCNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C1 45988447 HJPNCXQFOHTBTH-SFHVURJKSA-N 386.540 3.556 0 40 GHAB COc1ccc2c(c1O)[C@@]13CCN(C)[C@H](C2)[C@@H]1C(Br)=CC=C3C 100393691 FCXBYZRFHRNZPT-LJHODMEESA-N 376.294 3.754 0 40 GHAB biogenic,in-vitro COc1ccccc1-n1nnc(C(=O)Nc2ccc(Br)cc2)c1C 2699061 XACWXQLGSROQSG-UHFFFAOYSA-N 387.237 3.599 0 40 GHAB CC[C@H]1CCc2c(sc3ncn4nc(CCn5cc(Cl)cn5)nc4c23)C1 2803682 ZZADLNQNFJUNCV-NSHDSACASA-N 386.912 3.947 0 40 GHAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc(Cn4ccnc4)c3)n2)C1 47297181 NSBBXGMDGCHGOM-MRXNPFEDSA-N 395.532 3.872 0 40 GHAB NC(=O)c1ccc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)cc1 61719137 PORAVUQNQCUBIJ-UHFFFAOYSA-N 388.452 3.952 0 40 GHAB Cc1cc(C(=O)NCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 10358101 NHSOLJLEMPUXFU-UHFFFAOYSA-N 380.469 3.726 0 40 GHAB Cc1cc(C)n(-c2cccc(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1 48262047 NEGIVQUBFXVHHW-UHFFFAOYSA-N 399.495 3.574 0 40 GHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2C)cc1Cl 20152998 CWGADXIRPWYTGB-UHFFFAOYSA-N 392.864 3.872 0 40 GHAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)OCO3)CC1=O 3341802 IKHXPJYQEPZGIV-HUUCEWRRSA-N 380.444 3.920 0 40 GHAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc2ccccc2c1 3309209 UYGDZZUACNUMHE-UHFFFAOYSA-N 379.460 3.813 0 40 GHAB Cc1nn(C)c(C)c1CCC(=O)NCc1ccccc1CN1C[C@@H](C)C[C@H](C)C1 48331576 RTSLENBSLWHMBZ-ROUUACIJSA-N 396.579 3.764 0 40 GHAB O=c1c2c(-c3ccccc3)csc2ncn1C[C@H](O)COc1ccc(F)cc1 12849887 VWNOTICEEXQMBM-INIZCTEOSA-N 396.443 3.704 0 40 GHAB O=C(CSc1nnc(Nc2ccccc2)s1)N1CCc2ccccc2C1 3410524 QWAPMMSXIXQULX-UHFFFAOYSA-N 382.514 3.959 0 40 GHAB Cc1ccc(CNC(=O)[C@H](C)n2c(=O)c(C(F)(F)F)nc3ccccc32)cc1 12985809 OSBYFHCFFLCETM-ZDUSSCGKSA-N 389.377 3.601 0 40 GHAB O=C([C@H]1CCCN(c2ncccn2)C1)N1Cc2ccccc2[C@H](c2ccccc2)C1 12947316 QAYIWKFISHDWBR-GMAHTHKFSA-N 398.510 3.867 0 40 GHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C(N)=O)c1ccccc1 8982546 OZDBHRKKGYDICU-HNNXBMFYSA-N 385.876 3.728 0 40 GHAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc(OC)c1OC(C)=O 49546700 PCBGGXQMDZSIFY-CYBMUJFWSA-N 387.436 3.704 0 40 GHAB CC(C)C(=O)Nc1cccc(NC(=O)CCn2c(=O)sc3ccccc32)c1 5000827 ZGHQLCPJFWTDOZ-UHFFFAOYSA-N 383.473 3.686 0 40 GHAB COc1ccc([C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)NC(C)=O)cc1 14043402 GWHKHBLPFLFOIB-DSQUVOCVSA-N 384.520 3.595 0 40 GHAB CCCCn1c(SCC(=O)NCC(C)C)nc2sc(C)c(C)c2c1=O 4523964 KFRTUVLDSRSAJD-UHFFFAOYSA-N 381.567 3.739 0 40 GHAB O=C(CSc1nc2ccccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1 5590088 VTQGMUWGXIAGIU-UHFFFAOYSA-N 386.908 3.657 0 40 GHAB COc1ccc(-n2c(C)nnc2SCc2nc(-c3cccs3)no2)cc1 6804366 RODKJHHMHQZTBS-UHFFFAOYSA-N 385.474 3.988 0 40 GHAB CCn1c(SCc2ccc(Cl)cc2)nc2cc(S(N)(=O)=O)ccc21 6977175 HXGRHPVPHYYFDX-UHFFFAOYSA-N 381.910 3.649 0 40 GHAB C[C@@H](OC(=O)c1cccnc1SC(F)F)c1nc2ccccc2c(=O)[nH]1 7137659 WWMBHGQZRKCNMR-SECBINFHSA-N 377.372 3.551 0 40 GHAB Cc1c(O)ccc2c(Cn3cc(C(F)(F)F)cc(Cl)c3=O)cc(=O)oc12 7313755 RSJOWTXBZDWWND-UHFFFAOYSA-N 385.725 3.689 0 40 GHAB C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1 15745240 FSMLYBBRUZJDKT-WMZHIEFXSA-N 386.495 3.948 0 40 GHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCC(C(C)(C)C)CC1 7723490 JXSSNLCUOVDNJB-UHFFFAOYSA-N 396.553 3.737 0 40 GHAB CCc1cc(NCCc2cc(F)cc3c2OCOC3)nc(-c2ccncc2)n1 68665577 YQLWIPXRQAVDCS-UHFFFAOYSA-N 380.423 3.761 0 40 GHAB O=C1OCC[C@@H]1Sc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1 8191842 ORXSVEYRDVENKY-KRWDZBQOSA-N 376.441 3.823 0 40 GHAB Fc1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1 8327930 FUSSFHONGUYNTG-UHFFFAOYSA-N 399.480 3.557 0 40 GHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)Cc3cnn(C)c3)cc12 69694470 SWLKIGZTHJJMPB-UHFFFAOYSA-N 397.479 3.599 0 40 GHAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113954718 FZGMZXFXJCOMRP-SFHVURJKSA-N 381.520 3.968 0 40 GHAB Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1nc2ccc(F)cc2s1 8757899 CEUJVMKMSRJKIX-UHFFFAOYSA-N 399.476 3.744 0 40 GHAB COc1ccc(OCCN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 8709266 DATJUBJRYZPTGM-HSZRJFAPSA-N 396.487 3.839 0 40 GHAB CC(C)Cn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1ccncc1 409101562 YGXMZRCWDHWTFV-IYBDPMFKSA-N 387.553 3.878 0 40 GHAB COc1cc(C)c(CN[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1OC 97013154 UBNRAUAUTSMDRP-KRWDZBQOSA-N 388.895 3.951 0 40 GHAB COC(=O)c1cn(CC(=O)Nc2nc3c(s2)CCCCC3)c2ccccc12 22312239 KNELUKYCYUEYRJ-UHFFFAOYSA-N 383.473 3.792 0 40 GHAB Cc1cccc(-c2nnc(S)n2CC(=O)N2CCC[C@H]2c2ccccc2)c1 84213204 HURBQSRINOYTMH-SFHVURJKSA-N 378.501 3.906 0 40 GHAB Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)N(C)C3CCC(C)CC3)c12 97134627 LDHINDXFWTUHMD-UHFFFAOYSA-N 385.464 3.603 0 40 GHAB Cc1c(C(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)oc2c(C)cccc12 89689062 UJGRRIFRVDEKFT-CQSZACIVSA-N 394.435 3.735 0 40 GHAB CC(C)c1ccc(OCc2nnc(SCc3cnoc3C3CC3)n2N)cc1 89893422 NLFKOVUMMGFZEQ-UHFFFAOYSA-N 385.493 3.852 0 40 GHAB Cc1ccccc1C(=O)N1CCC[C@@]2(CC1)CN(Cc1cccs1)CCO2 306134112 NDSXZGSWRYWUJM-JOCHJYFZSA-N 384.545 3.954 0 40 GHAB CCOc1ccc(NC(=O)CSCc2cc(=O)c3cccc(F)c3[nH]2)cc1 33064178 IJBQBDAHPRFFHD-UHFFFAOYSA-N 386.448 3.938 0 40 GHAB O=C(/C=C/c1cccs1)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1 306127060 FNJFHYRYWZJUCF-ZMBJWTFHSA-N 379.485 3.586 0 40 GHAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1ccnn1C 72370605 AIZIPCDVZDQUTG-HNNXBMFYSA-N 382.533 3.592 0 40 GHAB O=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2F)n1)N1CCCCC1 72357625 YFHDRAPLNDOXIA-QFIPXVFZSA-N 381.495 3.961 0 40 GHAB Cc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)c(F)c1 62007336 WFSKLFVAJXNYGG-UHFFFAOYSA-N 389.430 3.938 0 40 GHAB Cc1ccc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)cc1Cl 32642931 GQGROVWYFOJTJU-UHFFFAOYSA-N 382.851 3.681 0 40 GHAB Cc1cccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1C 33795471 MGGINWWWPOOQTQ-CQSZACIVSA-N 380.897 3.750 0 40 GHAB COc1ccc2c(ccn2CCNC(=O)C2(c3ccccc3)CCOCC2)c1 72325400 BMMKUNZVIDKQHH-UHFFFAOYSA-N 378.472 3.515 0 40 GHAB biogenic CC(C)Cn1cc(C(=O)NCCCNC(=O)c2cccc(O)c2)c2ccccc21 503123251 VQDPFKAEYXLUAC-UHFFFAOYSA-N 393.487 3.553 0 40 GHAB CCOC(=O)/C=C/c1ccc(NC(=O)NCc2ccnc(N3CCCC3)c2)cc1 48066129 SUILNDSYPCYGAC-JXMROGBWSA-N 394.475 3.580 0 40 GHAB COc1ccc2cc(S(=O)(=O)NCCCN(C)c3ccccc3)ccc2c1 224389558 LGUVUSQPUSEESJ-UHFFFAOYSA-N 384.501 3.653 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 222399375 FUGOUBFYZGUNFW-GOSISDBHSA-N 384.545 3.700 0 40 GHAB COc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224200261 WPEMHTGBZDYSQN-LJQANCHMSA-N 396.531 3.736 0 40 GHAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 223559758 ADECNSLZXPQRBO-GOSISDBHSA-N 384.495 3.744 0 40 GHAB COc1ccc(CNC(=O)CSc2ccc(Cl)cc2)c(OC)c1OC 45403068 DRGNZHYUTYLPAE-UHFFFAOYSA-N 381.881 3.774 0 40 GHAB O=C(NCc1cccs1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 77099918 OKIXMPLKPUGKLI-UHFFFAOYSA-N 392.528 3.927 0 40 GHAB CCCCOc1cccc(C(=O)Nc2cc(N)ccc2N2CCN(CC)CC2)c1 226259866 JRJTVIZEYYERNT-UHFFFAOYSA-N 396.535 3.842 0 40 GHAB COc1cccc(-c2c3c(=O)n(C4CCCCC4)ccc3nc3nc(C)nn23)c1 40398478 GWTGFTQGIRASES-UHFFFAOYSA-N 389.459 3.928 0 40 GHAB O=S(=O)(NCCc1nc2ccccc2n1Cc1ccccc1)c1ccccc1 41146072 CVVBEWOLUSMZIH-UHFFFAOYSA-N 391.496 3.606 0 40 GHAB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)Nc1ccccc1 136522718 NZTPHFUZRVXKBV-ZCLUNYJNSA-N 377.440 3.714 0 40 GHAB O=C(NCc1nccc(N2CCCCC2)n1)Nc1cccc(C(F)(F)F)c1 224163368 XKIUKSUDKRCMAE-UHFFFAOYSA-N 379.386 3.807 0 40 GHAB Cn1c([C@@H](O)[C@H](O)c2nc3ccc(Cl)cc3n2C)nc2ccc(Cl)cc21 82086830 QKJUNZIPQRVNOT-HOTGVXAUSA-N 391.258 3.534 0 40 GHAB O=C(NCC1(c2ccc(F)cc2Cl)CC1)N1CCOc2cc(O)ccc2C1 501100117 GZLHYSXMUQCDKZ-UHFFFAOYSA-N 390.842 3.821 0 40 GHAB CCOC(=O)C1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1 95774914 IRUVPJVUCTVFQT-UHFFFAOYSA-N 378.516 3.735 0 40 GHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 245237742 UIVKKRBODDBCCI-DGQTTZFYSA-N 384.524 3.922 0 40 GHAB Cc1ccccc1OCCN(C)c1ncc(C(=O)O)c(CCc2ccccc2)n1 257256600 KMDZXRXKFXFTGR-UHFFFAOYSA-N 391.471 3.784 0 40 GHAB CNc1cc([C@@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCOCC2)ccn1 257293149 QOIUMXDBVRECNI-FQEVSTJZSA-N 397.494 3.965 0 40 GHAB COc1ccccc1CC(=O)N1CCC2(CC1)C[C@H](N(C)c1ccccc1)CO2 257231822 GIHZQPVHLYBYKT-NRFANRHFSA-N 394.515 3.524 0 40 GHAB CCc1oc(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)cc1C(=O)O 585080770 HRBQWBRMMRKTTO-HXUWFJFHSA-N 398.503 3.743 0 40 GHAB O=C(COc1ccsc1Cl)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 585081187 LXDCQWJGYKMRBQ-CQSZACIVSA-N 390.892 3.732 0 40 GHAB Cc1noc(C)c1-c1cccc(C[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 257221124 DNPIQWCPBBUNCP-QGZVFWFLSA-N 397.500 3.607 0 40 GHAB CSc1ncccc1C(=O)N1C[C@@H](c2nc(C)no2)[C@H](c2ccccc2)C1 253471834 FYWNOIKUZDNWCD-DLBZAZTESA-N 380.473 3.518 0 40 GHAB Cc1ccc2oc(C(=O)N[C@@H](C)c3cc(F)ccc3N3CCN(C)CC3)cc2n1 591016019 UDIVWTDWYSHCLY-HNNXBMFYSA-N 396.466 3.518 0 40 GHAB O=C(Nc1ccc(-c2ncco2)cc1)N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1 666486562 TYAGDUDHVKWXLL-IEBWSBKVSA-N 393.447 3.600 0 40 GHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(-c2nc3c4ccccc4ncn3n2)cc1 1615056145 VIMWCEKNECSRCH-CALCHBBNSA-N 397.438 3.624 0 40 GHAB O=C(NCCc1ccc2c(c1)CCO2)N1CC2(CCOCC2)[C@@H]1c1ccccc1 581930581 KEYOLVRACBKPGL-QFIPXVFZSA-N 392.499 3.727 0 40 GHAB CCc1nn2c3c(nnc2c1-c1ccc(OC)cc1)C(=O)C[C@@H](c1ccco1)C3 14607800 SNYDXPLYAMBEGM-AWEZNQCLSA-N 388.427 3.868 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)NCCOc2ccc(C(C)(C)C)cc2)cc1 16695387 DKHVRXDMLXDFDN-KRWDZBQOSA-N 384.520 3.666 0 40 GHAB CCOc1ccc(CN2Cc3ccccc3OC3(CCN(C)CC3)C2)cc1OC 19533938 CWUGTOBQQWQOQH-UHFFFAOYSA-N 396.531 3.953 0 40 GHAB Cc1cc(C(=O)N[C@@H](C)c2nc3cc(-c4ccccc4F)ncn3n2)cs1 19572029 JYTGSWOXEWXNDU-LBPRGKRZSA-N 381.436 3.791 0 40 GHAB Cc1nn2c(NCCCN3CCCC3=O)c3c(nc2c1-c1ccccc1)CCC3 19582105 BZIPZHKKJDYWQR-UHFFFAOYSA-N 389.503 3.618 0 40 GHAB C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)c1ccc(-c3ccccc3)cc1)CS2 5877669 GITFVPJUJPWWHQ-AVRDEDQJSA-N 395.480 3.534 0 40 GHAB CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1-c1ccc2c(c1)OCO2 5910098 FKZXHUBKDKUAEJ-UHFFFAOYSA-N 382.368 3.633 0 40 GHAB biogenic CCc1c(C)noc1-c1cnc(NCCCOC(C)C)nc1-c1cnc(C)cn1 12156492 GBQSWENEFIEQPE-UHFFFAOYSA-N 396.495 3.995 0 40 GHAB COc1cccc(CN2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)c1OC 12337791 KNHRQYQKALHVQW-GOSISDBHSA-N 396.491 3.796 0 40 GHAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)c1 5414942 JOQRUBQUVRFNBF-QMCVQRASSA-N 387.553 3.701 0 40 GHAB Cc1ccc(NC(=O)Cc2nc(CSc3nnc(C4CC4)n3C)cs2)cc1 7235471 GHZSGMKADLZPNR-UHFFFAOYSA-N 399.545 3.931 0 40 GHAB O=C1COC[C@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)CN1c1ccccc1 2037983951 LQOCBPJWLJGIGO-NRFANRHFSA-N 388.870 3.735 0 40 GHAB COc1ccc(C(=O)NCc2nnc(SC(C)C)n2Cc2ccccc2)cc1 4087385 OEBCUKWGZGOOSE-UHFFFAOYSA-N 396.516 3.766 0 40 GHAB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc2c(c1)CCCC2 4107162 KTEWIAFMFJTTAX-UHFFFAOYSA-N 377.400 3.639 0 40 GHAB CCOc1ccc(N2CCn3c(SCC(=O)Nc4ccccc4)nnc32)cc1 17307750 WCEYTHDYZLCPJM-UHFFFAOYSA-N 395.488 3.559 0 40 GHAB CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(Cl)cc2)CC1 22460217 WQQYLQYIMKCFSM-HNAYVOBHSA-N 391.968 3.899 0 40 GHAB COC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)cc(C(=O)OC)c1 20096515 SFERRXNEWRHJBH-UHFFFAOYSA-N 381.428 3.710 0 40 GHAB Cc1noc([C@H]2CCCN(C(=O)c3cccc(OCc4csc(C)n4)c3)C2)n1 40156250 AZZSWJKWGBNNHK-INIZCTEOSA-N 398.488 3.742 0 40 GHAB CCOc1ccc(CN(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 40104076 PYQMRZIFDWDFJV-UHFFFAOYSA-N 382.508 3.501 0 40 GHAB COc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1 20113062 YREXUNGAHIBDTJ-QGZVFWFLSA-N 396.487 3.973 0 40 GHAB CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3Cc2ccccc2Cl)c2ccccc21 32103030 DJVXDWHKHVEEAV-OAQYLSRUSA-N 392.846 3.839 0 40 GHAB O=C(O)c1ccc(-n2c(S)nnc2-c2ccc(F)c(Br)c2)cc1 20725473 PACLUHFXCPZQQC-UHFFFAOYSA-N 394.225 3.823 0 40 GHAB Cc1nc2cc(F)cc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)c2nc1C 52331136 QNAHBBLMOHPKJS-UHFFFAOYSA-N 378.407 3.987 0 40 GHAB Cc1nc(CSCC(=O)NCc2ccnc(OCc3ccccc3)c2)cs1 32931029 HHUCGNRGWYIOFG-UHFFFAOYSA-N 399.541 3.975 0 40 GHAB O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O 53121636 CWQXHQSYAFHTSV-RHSMWYFYSA-N 388.439 3.671 0 40 GHAB CCOC(=O)c1c(NC(=O)CCN2CCCCC2)sc2c1CC[C@@H](C)C2 948375 KPEQDEAFUOHMOJ-CQSZACIVSA-N 378.538 3.864 0 40 GHAB CC(C)OC(=O)c1ccc(Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 958833 BUCQMZAOZKHALR-ZDUSSCGKSA-N 397.500 3.591 0 40 GHAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)C(F)(F)F)c3nnnn3c12 1376763 FIZANOMHHVMLHK-UHFFFAOYSA-N 399.376 3.677 0 40 GHAB CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccc(O)c(OC)c1 2289264 NPWPBZTVFJKHEC-LJQANCHMSA-N 391.423 3.812 0 40 GHAB CC1(C)Cc2c(sc3ncn4nc([C@H]5OCc6ccccc6O5)nc4c23)CO1 2334816 BTFQUIPREXRKRP-IBGZPJMESA-N 394.456 3.798 0 40 GHAB CC(C)CCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 2378148 PRHGAWMQROCWES-UHFFFAOYSA-N 377.448 3.584 0 40 GHAB CCCOC(=O)c1ccc(NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1 2651373 SGTOLWIGTXNQIB-UHFFFAOYSA-N 393.443 3.544 0 40 GHAB CC1(C)CC(NC(=O)CSc2ccc(Br)cc2)CC(C)(C)N1 3264342 UUGMPNYBQVYUMU-UHFFFAOYSA-N 385.371 3.967 0 40 GHAB C[C@@H](OC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(Cl)cc1Cl 3266118 FCDKZXXJQNZOPX-HWPZZCPQSA-N 396.226 3.704 0 40 GHAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc2c(s1)CCC2 3437345 XMEPAIBJOPZTJI-UHFFFAOYSA-N 383.513 3.875 0 40 GHAB CC1CCN(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)CC1 3468439 QFNHKGMOXAZBHT-INIZCTEOSA-N 380.488 3.775 0 40 GHAB COc1ccc2c(C)c(CCC(=O)NCCc3ccccc3F)c(=O)oc2c1C 4743553 ILYFKWKVQRPZOH-UHFFFAOYSA-N 397.446 3.849 0 40 GHAB O=C(NC1CCN(C(=O)Nc2ccccc2F)CC1)c1ccccc1Cl 4888469 PTXQOUYUMXBTCI-UHFFFAOYSA-N 375.831 3.905 0 40 GHAB Cc1ccc(NC(=O)c2cccn(OCc3cccc(Cl)c3)c2=O)c(C)c1 5054828 FKXRKAORZHTNAF-UHFFFAOYSA-N 382.847 4.000 0 40 GHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 5204146 ATBZNFIXTRCQCM-UHFFFAOYSA-N 382.441 3.748 0 40 GHAB COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1OC 5451908 SGWQKIAHARXSAP-CQSZACIVSA-N 397.431 3.777 0 40 GHAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C2 5915186 ZFGVLKRKUBYNBG-BDJLRTHQSA-N 391.411 3.722 0 40 GHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C)cc3)n2C)cc1 6078117 LCWZAUFMKGKVER-AWEZNQCLSA-N 382.489 3.918 0 40 GHAB CC1CCN(C(=S)SCC(=O)Nc2ccc(Br)cn2)CC1 6417453 YJZCGJHPDXORAM-UHFFFAOYSA-N 388.356 3.533 0 40 GHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1C[C@@H]1CCCO1 6752763 YQNRGVWBGDRCEP-YEJXKQKISA-N 393.418 3.646 0 40 GHAB COc1ccc2ccc(OCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)cc2c1 7090008 AZMOMLNVFUMDKT-OAHLLOKOSA-N 390.439 3.991 0 40 GHAB O=C(CCc1ccsc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 7213020 ONUNQXZXHWOKCU-UHFFFAOYSA-N 392.546 3.884 0 40 GHAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(C2CC2)o1 7289771 QKXQALNHBPPNSK-UHFFFAOYSA-N 389.868 3.732 0 40 GHAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N[C@H](C)C(=O)O)n2)cc1 7498915 MCYZSQALYBMAKK-CQSZACIVSA-N 378.436 3.861 0 40 GHAB O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC(c2nc3ccccc3s2)CC1 7777739 YDLSAIPMIIWTCU-MRXNPFEDSA-N 397.544 3.793 0 40 GHAB COc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 7962434 VEZNYQGNVZNEDT-UHFFFAOYSA-N 382.391 3.805 0 40 GHAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8514301 ZVGNAPQTERKHEB-KRWDZBQOSA-N 377.437 3.513 0 40 GHAB O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)c3ccccc3F)cc21 8961192 NUFKVTOTPHKPTF-UHFFFAOYSA-N 384.388 3.985 0 40 GHAB CCCNC(=O)[C@@H](C)Nc1nc(-c2cccnc2)nc2sc3c(c12)CCC3 9154079 BLJKHEMLYWTZCA-GFCCVEGCSA-N 381.505 3.569 0 40 GHAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1cccc(F)c1)C3 9303363 JVWXAXXNYVBBTG-UHFFFAOYSA-N 397.402 3.621 0 40 GHAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(s2)CCCCC3)C1=O 9365776 ADQZAYAWBUJOTC-NRFANRHFSA-N 397.500 3.519 0 40 GHAB O=C(COc1ccc2c(c1)CCC2)NCc1cc(Cl)c2c(c1)OCCCO2 9390014 AWTXNXIKNUPEJG-UHFFFAOYSA-N 387.863 3.685 0 40 GHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCCCC2)cc1 9503230 RDALXKLEFHQSQM-JOCHJYFZSA-N 377.488 3.859 0 40 GHAB CCC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 9970926 DMBUZKKYQAFTEV-UHFFFAOYSA-N 395.488 3.561 0 40 GHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)o1 10229015 VIGJOOBFSQPBRC-BEFAXECRSA-N 381.476 3.600 0 40 GHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 10314752 NYPFZZVFVRWCCZ-UHFFFAOYSA-N 392.786 3.983 0 40 GHAB CCCn1c(O)nnc1SCC(=O)N(C)C(c1ccccc1)c1ccccc1 10438583 GITKCFUEBXHYRP-UHFFFAOYSA-N 396.516 3.734 0 40 GHAB COc1cccc(OCC(=O)OCc2cc(-c3ccc(F)cc3F)on2)c1 11613685 ISCKRXAWDIRPHV-UHFFFAOYSA-N 375.327 3.751 0 40 GHAB Cc1nc2ccc(C(=O)NC[C@H]3CCCN(CCc4ccccc4)C3)cc2[nH]1 12147253 WRECYJLJDMNJEM-LJQANCHMSA-N 376.504 3.556 0 40 GHAB Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1ccc(F)cc1Cl 12521124 ZBYSGMDQBVXXAN-UHFFFAOYSA-N 398.872 3.560 0 40 GHAB Cc1cccc(N2CCN(C(=O)c3cc(Br)ccc3O)CC2)c1C 12534045 RHABEEWMCOQEBC-UHFFFAOYSA-N 389.293 3.734 0 40 GHAB CSc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 12917478 STABJFPXRYHSHA-HNNXBMFYSA-N 381.505 3.621 0 40 GHAB CN(CCC(=O)Nc1ccc2c(c1)CCC2)CC(=O)Nc1ccc(Cl)cc1 12940126 OWHMFAWKRDVQPK-UHFFFAOYSA-N 385.895 3.728 0 40 GHAB COCCn1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N\c1cc(C)ccc1C 14066703 QGFSUXKZXZMTFO-LNVKXUELSA-N 397.500 3.517 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cc(C)on1)CC2 14129194 KKVLHOPTAOOHIK-IBGZPJMESA-N 384.457 3.850 0 40 GHAB CCOc1ccc(-c2nc(NC(=O)[C@H](NC(C)=O)C(C)C)sc2C)cc1 14167410 DCSMYROXADEYBW-MRXNPFEDSA-N 375.494 3.616 0 40 GHAB Cc1ccc2c(c1)S[C@H](C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F)C2 14378040 VDEFHEQWFDFQTC-HNNXBMFYSA-N 394.418 3.526 0 40 GHAB CCc1nn2c3c(nnc2c1-c1ccc(OC)cc1)C(=O)C[C@H](c1ccco1)C3 14607799 SNYDXPLYAMBEGM-CQSZACIVSA-N 388.427 3.868 0 40 GHAB CSc1nc2ccc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2s1 15896747 UJVQEIPCCNPLBM-UHFFFAOYSA-N 396.497 3.826 0 40 GHAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(Cl)cc1 16959513 FLSMCHWOLFBGGX-UHFFFAOYSA-N 392.908 3.696 0 40 GHAB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3N3CCCN23)cc1 19168242 YBTVMJIMSMRMBB-VABKMULXSA-N 397.478 3.684 0 40 GHAB CCn1ccc(C(=O)Nc2ccccc2[C@@H]2C[C@H](NC(C)=O)C[C@H](C(C)C)O2)n1 19712203 FSBMEHHWZCSRKH-HBGVWJBISA-N 398.507 3.536 0 40 GHAB Cc1cn(C)c2ccc(C(=O)N[C@@H](CCN3CCOCC3)c3ccccc3)cc12 19714309 ZTABLEWYRAPRJP-QFIPXVFZSA-N 391.515 3.680 0 40 GHAB CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cccc(OC)c1 21609213 ZJLSXKIQPFHOTK-UHFFFAOYSA-N 394.500 3.655 0 40 GHAB Cc1cc(NC(=O)COc2ccccc2F)n(-c2nc3ccccc3s2)n1 21684404 RWISUPALHLSZOW-UHFFFAOYSA-N 382.420 3.947 0 40 GHAB Clc1ccc(COc2ccc(Br)cc2CNc2nn[nH]n2)cc1 22112220 REEORSZMNGRZJK-UHFFFAOYSA-N 394.660 3.807 0 40 GHAB CCOC(=O)c1cnc2c(-c3ccc(F)cc3)c(CC)nn2c1/C=C/N(C)C 22607528 TYZOIUKCJMXIKK-VAWYXSNFSA-N 382.439 3.807 0 40 GHAB O=C(/C=C/c1ccc(Cl)cc1)NC[C@@H](c1cccs1)N1CCOCC1 22767044 HQOXDXYTJJEEGH-JZLODUJNSA-N 376.909 3.604 0 40 GHAB CSCC[C@H]1CN2CCC[C@H]2CN1Cc1cccc(-n2nc(C)cc2C)c1 22917186 GMLOSHKICAEMCB-VXKWHMMOSA-N 384.593 3.891 0 40 GHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(CCc2ccccc2)CC1 22934235 GDFHTFZJGRODCF-GOSISDBHSA-N 385.939 3.836 0 40 GHAB COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(F)cc2)N2CCCC2)cc1 23486574 MDWCTNVOJNFOQI-IIBYNOLFSA-N 386.467 3.555 0 40 GHAB COc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2ccccc2)cc1 24193094 FOLHFFYWVHTWAM-UHFFFAOYSA-N 399.560 3.617 0 40 GHAB Cc1nc(SCC(=O)Nc2cc(C(C)C)no2)n(C[C@@H]2CCCO2)c1C 24514300 LBCVLZKJJPDCNN-AWEZNQCLSA-N 378.498 3.521 0 40 GHAB CC(C)CCC[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 24974576 QXQRRCIFEKOKAB-KRWDZBQOSA-N 390.549 3.839 0 40 GHAB C[C@@H](NC(=O)CSc1nc2sccc2c(=O)n1C)c1cc2ccccc2o1 27308353 LJRYJIMOSQZLNV-LLVKDONJSA-N 399.497 3.711 0 40 GHAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(Br)cc1Br 27982680 GHQLGUIFCUJFGU-UHFFFAOYSA-N 387.075 3.814 0 40 GHAB Cc1cccc(CSc2nnc(Nc3cc(Cl)ccc3C)c(=O)n2N)c1 28535991 ASMYZSUKFGSVHY-UHFFFAOYSA-N 387.896 3.658 0 40 GHAB CC[C@H](C)[C@@H](CO)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 30819205 LJWDERSGUITJBL-IFXJQAMLSA-N 379.456 3.905 0 40 GHAB COc1ccc([C@@H](NC(=O)NCCc2ccc(Cl)cc2)c2nccn2C)cc1 32802587 JOEDPNJFUINEMA-LJQANCHMSA-N 398.894 3.713 0 40 GHAB COCCNc1cc(-c2noc([C@@H]3CCCN3Cc3ccccc3F)n2)ccn1 35424547 GPPMPMDDRJBSCP-SFHVURJKSA-N 397.454 3.666 0 40 GHAB biogenic,in-vitro COC(=O)c1c(NC(=O)c2nc(-c3ccc(C)cc3)no2)sc2c1CCC2 36612514 NJNMRXYAMKLFHH-UHFFFAOYSA-N 383.429 3.634 0 40 GHAB CCOc1ccc(-c2noc(CN3CCN(Cc4cccs4)CC3)n2)cc1 44871074 CKQWCQMNMHAPAG-UHFFFAOYSA-N 384.505 3.515 0 40 GHAB CC(=O)N(c1nc(C)c(C(=O)Nc2nnc(C(C)C)s2)s1)C1CCCC1 44892918 FTTUBLVCUDUTSC-UHFFFAOYSA-N 393.538 3.974 0 40 GHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC)c(OC)c1OC 44904147 CHDWVRLAMRLRMP-OAHLLOKOSA-N 393.867 3.840 0 40 GHAB COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 48252240 FYXFVVWSEFKMPP-UHFFFAOYSA-N 396.878 3.701 0 40 GHAB CCOc1ccc([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 48287196 CKKIHRPBABEPOQ-FQEVSTJZSA-N 396.487 3.894 0 40 GHAB CCc1c(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)[nH]c(C)c1C(C)=O 48361537 YJQGYRQLJCCCGP-UHFFFAOYSA-N 385.483 3.575 0 40 GHAB CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3nc(C)c(C)s3)n2)cc1 49059493 VZGLQZBKJQPVIL-ZDUSSCGKSA-N 398.488 3.582 0 40 GHAB O=C(/C=C/c1cccnc1)OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 51315361 OCACQZXTZZUMTC-FPYGCLRLSA-N 391.305 3.787 0 40 GHAB COc1ncccc1C(=O)N1Cc2nn(-c3ccc(C)cc3)c(-n3cccc3)c2C1 56911341 KGFBUZLOWDRJSB-UHFFFAOYSA-N 399.454 3.531 0 40 GHAB CN(C)[C@@H](CNC(=O)CCC(=O)c1ccc(Cl)s1)Cc1ccccc1 57615631 XEKVHPCFROLAOX-OAHLLOKOSA-N 378.925 3.654 0 40 GHAB CS(=O)(=O)c1ccccc1C(=O)N1CCCc2cc(C(F)(F)F)ccc21 58016218 BPKFRAMDXWTBOB-UHFFFAOYSA-N 383.391 3.702 0 40 GHAB COc1ccc([C@@H](C)NC(=O)c2[nH]nnc2Nc2ccc(C)c(C)c2)cc1OC 67283969 PVSWXPWJUHACFY-CQSZACIVSA-N 395.463 3.673 0 40 GHAB Cc1ccc([C@H](CNC(=O)N2CC[C@H](Nc3ccccc3)C2)N2CCCC2)o1 67640322 FUYZIJKJLRWBDX-PMACEKPBSA-N 382.508 3.621 0 40 GHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc([S@](C)=O)cc1 79024881 NCDNPEWWZFEVBB-APXPCNQMSA-N 386.300 3.815 0 40 GHAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@H]1C[C@@H]1c1ccccc1Br 84502218 FVJMHVACXJXKDS-IMJJTQAJSA-N 390.281 3.567 0 40 GHAB CCc1ccccc1NC(=O)NCCNc1cc(Nc2cc(C)ccn2)ncn1 90607998 FACGAZHOCYCIJK-UHFFFAOYSA-N 391.479 3.720 0 40 GHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)n2)cc1 95962927 LJOZJORZPCLFSA-ZDUSSCGKSA-N 393.896 3.550 0 40 GHAB Cn1ncc(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1C(F)(F)F 95993108 RDYFDSKVYPJDDX-CQSZACIVSA-N 396.461 3.984 0 40 GHAB CCOC(=O)[C@]12CCCN(Cc3ccc(C)s3)C[C@H]1CN(c1ccccn1)C2 96056044 YLNLDOMBXRJIQZ-AVRDEDQJSA-N 399.560 3.733 0 40 GHAB CC(C)Cn1ccc2c(NC(=O)Cn3nc(-c4ccco4)ccc3=O)cccc21 96231391 RIPOJOLUWNJPRL-UHFFFAOYSA-N 390.443 3.753 0 40 GHAB CCc1ccccc1NC(=O)N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 98212957 OVGAMXRIDDSQQG-SFHVURJKSA-N 391.475 3.695 0 40 GHAB O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 102986363 YKSYZXPMGHASHL-FCRVUTKVSA-N 386.234 3.953 0 40 GHAB C[C@@H]1c2cccn2CCN1CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 103453487 OXYACDZGAPAPLL-QVKFZJNVSA-N 383.492 3.971 0 40 GHAB OC[C@@H]1CCCN1C[C@@H]1CCCN1c1ncnc2scc(-c3ccccc3)c12 107070179 RHGCYRYBGZAZFQ-ROUUACIJSA-N 394.544 3.784 0 40 GHAB CCOc1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 113940288 MCXZAYFYFHXXII-ZDUSSCGKSA-N 396.896 3.532 0 40 GHAB Cc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O 113967085 YTHRMFZCENVESL-INIZCTEOSA-N 392.496 3.558 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)c1ncc(-c3ccc(F)cc3)o1)CC2 206587507 MLBGRNHIXIQDGT-UHFFFAOYSA-N 382.391 3.696 0 40 GHAB CC[C@@H](C(=O)N1CCCc2ccccc21)N(c1cccc(C)c1)S(C)(=O)=O 220514090 GMGOCHAYJQYZPQ-IBGZPJMESA-N 386.517 3.519 0 40 GHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 222536938 IPFKUXVXVWOSBD-OAHLLOKOSA-N 390.936 3.904 0 40 GHAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1 222560871 HQDYOABWXYBIRR-SIKLNZKXSA-N 396.531 3.830 0 40 GHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC(C)C)c1 223844229 JQODVFYMKBATLF-UHFFFAOYSA-N 383.853 3.715 0 40 GHAB CC(C)Sc1nnc(NS(=O)(=O)Cc2c(F)cccc2Cl)s1 225329828 NUEJLAZEBRKMHN-UHFFFAOYSA-N 381.907 3.773 0 40 GHAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC)c1ccccc1 225693680 BJXSYMYRMXJGKG-HNNXBMFYSA-N 376.503 3.513 0 40 GHAB CCO[C@H](C)CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257336580 YPBOAQGBMWVVKF-GOSISDBHSA-N 382.504 3.629 0 40 GHAB COc1ccccc1[C@H](O)CNC(=O)C1(c2cc(F)cc(F)c2)CCCC1 528836672 XNIZHZFXHODYBR-GOSISDBHSA-N 375.415 3.635 0 40 GHAB CN(C)C(=O)c1cc(NC(=O)NCC2CCc3ccccc3CC2)ccc1F 529009601 KZUSOYGQLLDHAM-UHFFFAOYSA-N 383.467 3.844 0 40 GHAB CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1c[nH]nc1-c1ccc(Cl)cc1 538717036 YJIZYRDSEZVGIW-UHFFFAOYSA-N 389.908 3.766 0 40 GHAB Cc1c(Cl)cc(F)c(NC(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)c1F 560411744 IQRPSOOYHIYZBA-GWCFXTLKSA-N 384.814 3.702 0 40 GHAB C[C@H](N[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1cc2cccc(F)c2o1 574708489 PJIDDFREROYZRE-KPZWWZAWSA-N 388.464 3.948 0 40 GHAB CC(C)Sc1ccc(CC(=O)NCc2ccnc(-c3cnn(C)c3)c2)cc1 575619580 WPUMJIHJYJAKCW-UHFFFAOYSA-N 380.517 3.842 0 40 GHAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1cc2ccccc2o1)N(C)C 575621052 NIPIYIPYDNJBJI-KRWDZBQOSA-N 399.878 3.752 0 40 GHAB Cn1ncc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c1C(F)F 583537425 KBWUJMIECDUKDM-UHFFFAOYSA-N 378.354 3.658 0 40 GHAB Cc1ccc2ncc(CN3CCC4(CC3)CC(NC(=O)OCC(C)C)C4)n2c1 585103499 PGMFFQBYSABQRH-UHFFFAOYSA-N 384.524 3.770 0 40 GHAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1cccc(O)n1 618238190 STMZWMGREWLEPJ-SFHVURJKSA-N 380.366 3.923 0 40 GHAB C[C@@H](c1ccccc1)n1cc(NC(=O)N2CCCC[C@H]2c2cnn(C)c2)cn1 646448381 YLJMATCDWDJOFF-JXFKEZNVSA-N 378.480 3.985 0 40 GHAB CC[C@H](CSc1ccccc1)NC(=O)N[C@H]1CCCc2c1ccc(=O)n2C 650987125 OTBNNIKJRCLEBH-QAPCUYQASA-N 385.533 3.633 0 40 GHAB COC[C@H](CC(C)(C)C)NC(=O)N1CCC(c2ccc3cccnc3n2)CC1 656141385 UEVFIDBUPVMWSM-SFHVURJKSA-N 384.524 3.970 0 40 GHAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N1CC2CC1(C(=O)O)C2 659176620 IKCVGTQVXVFCMQ-UHFFFAOYSA-N 392.430 3.982 0 40 GHAB CC[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 664897981 WRLURFXXFKCEHD-RBSFLKMASA-N 377.451 3.540 0 40 GHAB Cc1ccc([C@@H]2CN(Cc3ccc(-c4ccccc4C(=O)O)o3)CCO2)nc1 1848353714 FXCJIFMVHOZWAS-NRFANRHFSA-N 378.428 3.922 0 40 GHAB CSc1ccccc1C(=O)N1CCC(COc2ccc3nc(C)cn3n2)CC1 1888901291 BOBFTKUJKKVERP-UHFFFAOYSA-N 396.516 3.691 0 40 GHAB Cc1nccn1[C@H]1C[C@H]2CN(C3CCOCC3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242546 RONQNENQECNJEK-OXHIVJRSSA-N 399.510 3.840 0 40 GHAB COc1ccc(Br)cc1CN(C)CC(=O)Nc1cc(C(C)C)no1 24224909 DBSRVTYXLGWGJS-UHFFFAOYSA-N 396.285 3.640 0 40 GHAB Cc1cc(C)n(CCC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)n1 77781861 FLMWTMWHMCEAFF-ROUUACIJSA-N 382.552 3.684 0 40 GHAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@H]1C2 854577 QXUAOCLDHANCHP-HBFSDRIKSA-N 398.528 3.571 0 40 GHAB CCCOc1c(Cl)cc(/C=C/C(=O)Nc2c(C)ccn(C)c2=O)cc1OC 79055757 JMTAALJTVMVRFD-VOTSOKGWSA-N 390.867 3.796 0 40 GHAB CCOC(=O)c1c(Nc2nc3nonc3nc2Cl)sc2c1CCCC2 3012984 IMTAIAREMZETNM-UHFFFAOYSA-N 379.829 3.527 0 40 GHAB COc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(OC)c1 6047302 ZJTFDDXVSYNOGE-ZSZQSSIHSA-N 378.465 3.865 0 40 GHAB COc1ccc(CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1OC 35288615 RAIGIQKVMVBDES-YFHUEUNASA-N 391.508 3.509 0 40 GHAB CCOc1cc(C)c(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1C(C)C 6958339 JNAVCYREMVCQAS-SXGWCWSVSA-N 393.530 3.891 0 40 GHAB COc1ccc2c(CC(=O)OCC(=O)N3CCCc4ccccc43)coc2c1 7735348 PWIAUUUUQGDTQO-UHFFFAOYSA-N 379.412 3.507 0 40 GHAB COc1ccc2oc(C(=O)OCC(=O)NC3C4CC5CC(C4)CC3C5)c(C)c2c1 7777346 HOWILTBLXSQNJA-UHFFFAOYSA-N 397.471 3.848 0 40 GHAB CC(C)c1cc(C(=O)OCC(=O)NC(=O)Cc2ccccc2)c(O)c(C(C)C)c1 7779818 CZIFGVFVVLXXDA-UHFFFAOYSA-N 397.471 3.681 0 40 GHAB COc1cc(/C=C/C(=O)Oc2ccc(NC(C)=O)cc2)ccc1OC(F)F 7797387 PUHFCVTZOXWZOD-ONNFQVAWSA-N 377.343 3.874 0 40 GHAB CCN(CC)c1ccc(NC(=O)COC(=O)CCc2ccccc2OC)cc1 8343197 HAVSLIFGGWFOQK-UHFFFAOYSA-N 384.476 3.656 0 40 GHAB O=C(c1ccc(Cl)c(Cl)c1)N1CC(=O)N2CCc3ccccc3[C@H]2C1 36070965 FYJXLIWLWXYKJT-QGZVFWFLSA-N 375.255 3.575 0 40 GHAB CCC(C)(C)n1nnnc1[C@H](C(C)C)N1CCN(c2cc(C)ccc2C)CC1 57669895 NBDXGTPCGITNHU-FQEVSTJZSA-N 384.572 3.954 0 40 GHAB COc1ccc(N(Cc2cccs2)C(=O)CNc2ccccc2C(N)=O)cc1 10939906 NGJCAMCEETXSTM-UHFFFAOYSA-N 395.484 3.501 0 40 GHAB CCc1ccccc1NC(=O)CN1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 36403737 WORQTSUKCIXXHZ-IBGZPJMESA-N 393.531 3.526 0 40 GHAB O=C1CCCN1Cc1cccc(N[C@H](C(=O)N2CCCCC2)c2ccccc2)c1 45820983 MJZKUPXBHVIJRF-QHCPKHFHSA-N 391.515 3.975 0 40 GHAB Cc1cc(Nc2cccc(C(=O)NC(C)(C)CN3CCCCC3)c2)nc(C)n1 57776197 KDUKHBJDLOGESC-UHFFFAOYSA-N 381.524 3.831 0 40 GHAB CC(=O)N(c1cccc(C)c1)c1nc(COc2ccccc2C(N)=O)cs1 11646500 CYUVCOUBKCKNNK-UHFFFAOYSA-N 381.457 3.814 0 40 GHAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CNCc1ccc2c(c1)OCO2 12661609 XSVXDDWVCLSCAX-BPVRBSMNSA-N 383.488 3.963 0 40 GHAB biogenic Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 113956677 HOPJDRQJNBWVPF-KRWDZBQOSA-N 386.517 3.661 0 40 GHAB CCCOC(=O)c1cccc(NC(=O)CSc2nc(C)nc3c2CCC3)c1 12016637 QYZRJHJBZPJTKK-UHFFFAOYSA-N 385.489 3.571 0 40 GHAB Cc1ccc(N2C(=O)[C@@H]3C(c4ccco4)=NN(c4ccccc4)[C@@H]3C2=O)cc1C 101460695 DUAZFZNBTWKWRO-CTNGQTDRSA-N 385.423 3.679 0 40 GHAB CCCCNC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10359845 ZPWMWNLEYFZXII-UHFFFAOYSA-N 394.924 3.836 0 40 GHAB COc1cc(CNCc2cc(C)on2)cc(Br)c1OC(F)F 48277632 IVXKFCSAAUMWMS-UHFFFAOYSA-N 377.185 3.645 0 40 GHAB Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c(=O)[nH]1 12751451 WWEMQNKBNPWGRY-UHFFFAOYSA-N 394.500 3.570 0 40 GHAB CCn1nccc1C(=O)Nc1c(F)cc(Br)cc1Br 28225049 WTFCGNBFCQLDQA-UHFFFAOYSA-N 391.038 3.819 0 40 GHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NCc2cccs2)n1 3376037 KXLOZBVWQYNJDB-UHFFFAOYSA-N 394.909 3.604 0 40 GHAB CC(C)Oc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 22516489 UHTCOVRLEIPMQA-UHFFFAOYSA-N 382.869 3.751 0 40 GHAB CCOc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 12943634 IJIOASOKPNCEAN-UHFFFAOYSA-N 383.473 3.784 0 40 GHAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@@H](O)c2ccc(Cl)cc2)C1=O 12976234 VWWWBHWJRFUMDZ-VQIMIIECSA-N 393.270 3.884 0 40 GHAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 408709250 QUWQLIPKCXIJOR-UHFFFAOYSA-N 380.366 3.748 0 40 GHAB COc1ccc(C2=NO[C@@H](Cn3c(=O)cc(C)c4ccccc43)C2)c(OC)c1 4282485 XMAQPTVUCNWFCP-MRXNPFEDSA-N 378.428 3.520 0 40 GHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O 6366117 NOCSUISKVJVXEC-JASJWYONSA-N 388.420 3.604 0 40 GHAB COc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccco3)OC2=O)cc1 408839500 TWHPCRRYXGXHEX-GHRIWEEISA-N 389.363 3.852 0 40 GHAB Cc1nn(C)c(Oc2cccnc2)c1CN1CC[C@@H](COCc2ccccc2)C1 93684291 NQWODAKJJDTHQC-HXUWFJFHSA-N 392.503 3.955 0 40 GHAB COc1cc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)cc(OC)c1OC 4543371 MMCDFPMXVFGHBA-MLCYQJTMSA-N 388.489 3.753 0 40 GHAB O=C1c2ccccc2N[C@@H](c2cc(Cl)c3c(c2)OCO3)N1C[C@H]1CCCO1 9368156 DDQLXWCRPQFJKI-BFUOFWGJSA-N 386.835 3.814 0 40 GHAB CCOC(=O)/C(=C\c1ccc(C(=O)O)cc1)c1nccn1Cc1ccccc1 96256139 JBQSQIXGDAWKTD-RGEXLXHISA-N 376.412 3.733 0 40 GHAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3cccc(Cl)c3C)n2)cc1 6747768 BQERUQGXEUXXFD-UHFFFAOYSA-N 383.835 3.845 0 40 GHAB COC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)nc1C 84064488 HMLZOCNOXFEXAK-WDEREUQCSA-N 384.379 3.999 0 40 GHAB Cc1nc2ccc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2nc1C 8324293 CLBXSHKKDCQTEW-UHFFFAOYSA-N 394.519 3.501 0 40 GHAB O=C(COc1cccc(Oc2ccccc2)c1)NCC(=O)Nc1ccc(F)cc1 8344218 AEACGXZNXVENDV-UHFFFAOYSA-N 394.402 3.752 0 40 GHAB Cc1ccc2c(CC(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)coc2c1C 17795894 CANHEPKAWIFNCN-OAQYLSRUSA-N 392.499 3.609 0 40 GHAB CSc1nc2n(n1)[C@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N2 8771517 DMABDMIDJHTYQU-OAHLLOKOSA-N 383.502 3.989 0 40 GHAB CCCCCC[C@H](C)N(C(=O)[C@H]1COCCO1)c1ccccc1C(=O)OC 72300859 AIYODMVIAQDONZ-QFBILLFUSA-N 377.481 3.581 0 40 GHAB O=C(O)C[C@H]1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)c2ccccc21 84579078 QBHUAXHVBMIIHO-HBWSCVEGSA-N 377.849 3.719 0 40 GHAB O=C(Cn1c(-c2ccc(Cl)cc2)coc1=O)NCc1cccc(Cl)c1 95464699 JTNFLYCYGURCLF-UHFFFAOYSA-N 377.227 3.732 0 40 GHAB C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NCc1ccco1 95441033 NGRGZJJYVURWTA-WBMJQRKESA-N 379.254 3.714 0 40 GHAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 85413613 FIHRXCSVOUKRFZ-YOEHRIQHSA-N 390.313 3.878 0 40 GHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1 89832510 RPFBKQGTOZJTER-UHFFFAOYSA-N 398.459 3.655 0 40 GHAB COc1ccc(-c2nc3cc(NC(N)=S)ccc3o2)cc1Br 20154520 YQDBIZCMWZTUMC-UHFFFAOYSA-N 378.251 3.921 0 40 GHAB Cc1ccc(S(=O)(=O)Oc2ccc(C)cc2I)cc1 36442719 FWLUIDKVMQBHJD-UHFFFAOYSA-N 388.226 3.676 0 40 GHAB Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCC(C)CC2)n1 1505840747 YSDQXJOIRYAUPE-RRWXTXHCSA-N 379.504 3.882 0 40 GHAB COc1ccc(C(=O)C[C@@H](C)C(=O)NC(C)(C)c2cc(C(F)(F)F)on2)cc1 554087794 ZPLNBFYEZJRCLS-LLVKDONJSA-N 398.381 3.962 0 40 GHAB CC(C)CCNS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(C(=O)O)c1 217653444 TUPWYIUPHOTKNI-HNNXBMFYSA-N 390.505 3.882 0 40 GHAB COc1cccc(C(=O)NC2CCN(C(=O)Nc3c(C)cccc3C)CC2)c1 35311808 JKKHFXUHRSASRE-UHFFFAOYSA-N 381.476 3.738 0 40 GHAB COc1cccc(CN2CCCC[C@H]2c2nnc(-c3ccccn3)o2)c1OC 72344717 PPAKQXWNTJMLIV-KRWDZBQOSA-N 380.448 3.876 0 40 GHAB COc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 72362120 FZENWYHGGMWPKY-QGZVFWFLSA-N 390.443 3.692 0 40 GHAB CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 39986811 GKCKUUDGHOYVTG-UHFFFAOYSA-N 394.924 3.942 0 40 GHAB CCn1c(CN(C)Cc2nc3ccccc3s2)nc2cc(C(=O)O)ccc21 565101821 YFNOOUMANMLXON-UHFFFAOYSA-N 380.473 3.996 0 40 GHAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN(c2ccccc2)CC1 32755215 IZIANHWDRBLGQY-UHFFFAOYSA-N 384.277 3.893 0 40 GHAB Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)c2ccc(N)nc2)n1 72372648 CAOWEEKJBLPFKG-SFHVURJKSA-N 392.438 3.622 0 40 GHAB C[C@H]1OCc2cc(=O)n([C@H](C)C(=O)Nc3ccccc3-c3ccccc3)nc21 72342391 DZQQZDCDZUXDCK-HUUCEWRRSA-N 375.428 3.701 0 40 GHAB O=C(CCc1ccccc1)N1CCCC[C@H]1c1ccnc(Nc2cnccn2)n1 72377697 SAMHEANOMPIRNI-IBGZPJMESA-N 388.475 3.697 0 40 GHAB CN1CCN(c2cc(NC(=O)c3ccccc3Cl)c(Cl)cc2N)CC1 72229222 PSOBQVFBZLPBIL-UHFFFAOYSA-N 379.291 3.580 0 40 GHAB C[C@@H]1Cc2ccccc2N1c1nc2ncn(-c3ccccc3)c(=S)c2c(=O)[nH]1 40385758 YIJCNKUIYFXWDF-CYBMUJFWSA-N 387.468 3.921 0 40 GHAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1Nc1cc(OC)ccc1OC 226103970 QXRJPWKXZYIEQH-UHFFFAOYSA-N 394.431 3.663 0 40 GHAB COC(=O)c1cccc(NC(=S)NCc2nc(-c3cccc(C)c3)no2)c1C 225814888 XBYVLOBTNWFUEN-UHFFFAOYSA-N 396.472 3.627 0 40 GHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSc1ccc(C)cc1 223461088 ZDZNOIBJDQHDQD-HXUWFJFHSA-N 384.545 3.683 0 40 GHAB Cc1cc(C)cc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)c1 224095179 WJRYGXYHFKQTTR-UHFFFAOYSA-N 384.495 3.850 0 40 GHAB CCCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224172521 FECKJCJRAZFWNB-UHFFFAOYSA-N 378.469 3.571 0 40 GHAB COc1ccc(/C=C/C(=O)NCCOc2ccccc2Cl)c(OC)c1OC 223450850 DBTWCVFAPLYRDY-PKNBQFBNSA-N 391.851 3.574 0 40 GHAB COC(=O)CSc1nnc(NC(=O)c2cc3c(ccc4ccccc43)o2)s1 223125772 OSGIUOPTWWJYAM-UHFFFAOYSA-N 399.453 3.955 0 40 GHAB CCOc1ccc(C(=O)N2CCN(C)CC2)cc1COc1cc(C)cc(C)c1C 224613516 SFHPVYCAJRDDPK-UHFFFAOYSA-N 396.531 3.977 0 40 GHAB Cn1cc(-c2cc(CNC(=O)Nc3ccc(C(F)(F)F)cc3)ccn2)cn1 1202421709 YWDNGTRVFMUSDJ-UHFFFAOYSA-N 375.354 3.823 0 40 GHAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 222887597 DUPKHDNKKOOSNQ-HNNXBMFYSA-N 390.936 3.986 0 40 GHAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1 224165612 CWKCTNVGMOMLKL-UHFFFAOYSA-N 398.459 3.581 0 40 GHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1cccc(N2CCCC2=O)c1 222615447 KMPPSVNBKYKLJB-QGZVFWFLSA-N 392.499 3.776 0 40 GHAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(O)c(OC)c3)N21 222653883 IALOODGXRPQBSF-JEBQAFNWSA-N 385.489 3.784 0 40 GHAB CCc1nc2ccccc2n1CC(=O)NCC1(N2CCCCC2)CCCCC1 141579206 NLGSXUYMBOMJPR-UHFFFAOYSA-N 382.552 3.904 0 40 GHAB COCCO[C@@H]1CCN(C(=O)c2ccc3ncccc3c2)[C@H]1Cc1ccccc1 96261306 BTWHYBKPGXGMJF-XZOQPEGZSA-N 390.483 3.724 0 40 GHAB CN1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnnc1 257325236 WSALVUGXWNVWQT-QMDPOKHVSA-N 390.531 3.565 0 40 GHAB Cc1nc(-c2cncc(C(=O)O)c2)cc([C@H]2CCCCN2C(=O)C(C)(C)C)n1 257329104 XILAWXGCYFZSPU-GOSISDBHSA-N 382.464 3.645 0 40 GHAB Cc1cnn(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)c1 257308563 TXEXAVHGZCCUQC-LJQANCHMSA-N 382.439 3.663 0 40 GHAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2ccnc(C)n2)o1 257232734 GMDPYFBTFCPBRQ-LJQANCHMSA-N 392.459 3.740 0 40 GHAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1cc(=O)c2ccccc2o1 253395923 CTFVISJCDUCRPD-FQEVSTJZSA-N 397.477 3.582 0 40 GHAB Cc1nc(-c2ncc[nH]2)cc(C2CCN(C(=O)c3ccc4ccccc4n3)CC2)n1 257250277 JLWCVSBUBPMKMS-UHFFFAOYSA-N 398.470 3.743 0 40 GHAB O=C(/C=C\c1ccc2c(c1)OCO2)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1 253474877 LKUYBXRMNRSXRQ-CTGSTSKSSA-N 395.440 3.556 0 40 GHAB O=C(CSCc1cscn1)N[C@@H](CO)c1cccc(Cl)c1Cl 598398880 MJWHBZACYFAFRB-LBPRGKRZSA-N 377.318 3.533 0 40 GHAB O=S(=O)(NCc1ccc([C@H](O)c2cccs2)s1)c1ccccc1F 90613666 VLNQIPJEXVZRGJ-MRXNPFEDSA-N 383.491 3.509 0 40 GHAB O=C(NCCc1cccs1)c1ccc(C(=O)NCCc2cccs2)cc1 27389799 LECHHUQNSFSOEW-UHFFFAOYSA-N 384.526 3.755 0 40 GHAB Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccccc2)N(CCCO)C3=O)cc1Cl 5341587 MYARCDYAJVOZKI-FQEVSTJZSA-N 397.862 3.672 0 40 GHAB O=C(Nc1cccc2ccccc12)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5560355 IKKIIMSVXUFGPW-INIZCTEOSA-N 388.423 3.603 0 40 GHAB CCc1ccc(NC(=O)CCn2cnc3c([nH]c4ccc(F)cc43)c2=O)cc1 14001243 KCMXLHDAZUQDHL-UHFFFAOYSA-N 378.407 3.608 0 40 GHAB COc1ccc(-c2c(C)nn3c(O)cc(-c4ncccc4C)nc23)cc1OC 19237874 ZIGXNAYXUGFRRW-UHFFFAOYSA-N 376.416 3.798 0 40 GHAB Cc1nc([C@@H]2CCN(C(=O)C3CCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753164 UHJOAOFYGCXDPZ-OAHLLOKOSA-N 398.894 3.807 0 40 GHAB CC(C)(C)Nc1c(C2CCN(C(=O)c3cccnc3)CC2)nc2ccccn12 12127718 AVEUODYHAOPQFJ-UHFFFAOYSA-N 377.492 3.960 0 40 GHAB CC(C)(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 5571433 BDWODEWQCIUAHT-CYBMUJFWSA-N 394.924 3.936 0 40 GHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(/C=C/c2ccccn2)c1 6653843 NZXQOSMOEPKEBL-VAWYXSNFSA-N 382.423 3.601 0 40 GHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(Cc2ccc(F)cc2)CC1 1888930665 IWYIFLIHWYDYOW-UHFFFAOYSA-N 383.442 3.895 0 40 GHAB Cc1c(Cl)cccc1C(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 1565554840 GZYZQIWTXVZZKZ-GOSISDBHSA-N 382.891 3.784 0 40 GHAB CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)C[S@@](=O)C3)cc1 4224948 NAQINAMZSUMLMG-MUUNZHRXSA-N 395.484 3.674 0 40 GHAB Cc1csc(NC(=O)NCCCSc2nnc(-c3ccccc3)o2)n1 10220878 LZXZDMYQUJVKTM-UHFFFAOYSA-N 375.479 3.805 0 40 GHAB O=C(C1CCCC1)N1CCc2ccc(NS(=O)(=O)c3cccs3)cc21 13696286 BMROMWSTYPEQAX-UHFFFAOYSA-N 376.503 3.628 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 13657157 XMYDUBFGYKCGQV-UHFFFAOYSA-N 378.863 3.759 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 20109747 XBQSASQTACELNN-GOSISDBHSA-N 395.330 3.864 0 40 GHAB C[C@@]1(C(=O)OCc2cc3c(cc2Br)OCCO3)CC1(Cl)Cl 40158939 WUNTUMCNPSRVMA-ZDUSSCGKSA-N 396.064 3.847 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(Cn2ccnc2)c1 30689069 ZCGUEMYHOSXYOA-QFIPXVFZSA-N 386.455 3.834 0 40 GHAB CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 31076632 XSGZAUBMQNOOPZ-AWEZNQCLSA-N 396.340 3.809 0 40 GHAB O=C1[C@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 101210690 ILDFWEXBSJJRQS-HIFRSBDPSA-N 395.629 3.939 0 40 GHAB Cc1cc(OCC(=O)NCCc2nc(-c3ccccc3)no2)cc(C)c1Cl 32593583 PGUMRSKCKBGKDA-UHFFFAOYSA-N 385.851 3.745 0 40 GHAB C[C@@H]1Oc2ccc(NC(=O)c3cccnc3Nc3ccccc3F)cc2NC1=O 32863781 MKGKCVBOCKQBLN-LBPRGKRZSA-N 392.390 3.936 0 40 GHAB CC(C)CCn1c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)nc2ccccc21 32950426 UJQQFULTXXJEEQ-HOTGVXAUSA-N 375.538 3.810 0 40 GHAB CC(=O)c1ccc(N2CCN(Cc3nc(O)c4ccc(Cl)cc4n3)CC2)cc1 21849795 SLSBPFPAMFDPHN-UHFFFAOYSA-N 396.878 3.514 0 40 GHAB CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)nc2ccccc2c1=O 22056385 RBAXCFFSCJOAQE-CABCVRRESA-N 381.501 3.774 0 40 GHAB COc1ccccc1NC(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@@H]2C1(C)C 658479 WCSSUTKCUJMPJZ-FKIZINRSSA-N 384.505 3.786 0 40 GHAB O=C(CSc1ncccc1Cl)NCC1(c2ccccc2)CCOCC1 53682383 MAOJIHOOMOROIC-UHFFFAOYSA-N 376.909 3.692 0 40 GHAB CCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)Nc2nc(-c3ccccc3)nn21 956239 ZHRVGGIJJKENJX-LJQANCHMSA-N 390.443 3.806 0 40 GHAB Cc1ccc2nc(NC(=O)COC(=O)c3ccc(Br)o3)sc2c1 1059825 WVZCYKKCOSRKGR-UHFFFAOYSA-N 395.234 3.756 0 40 GHAB COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCC(C)CC2)cc1 1330503 NZDYFOWLISAGRE-NRFANRHFSA-N 377.492 3.551 0 40 GHAB CCCc1cc(=O)oc2c(C)c(OC(=O)CCNC(=O)OC(C)(C)C)ccc12 2095098 VHMKFVXIIBRFHK-UHFFFAOYSA-N 389.448 3.874 0 40 GHAB biogenic O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(SC(F)F)cc1 2320939 UHVQEXFIYOBNHU-UHFFFAOYSA-N 393.444 3.708 0 40 GHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1C[C@@H]1CCCO1 2414971 ULXQRDWHCPNLOH-HNAYVOBHSA-N 397.377 3.795 0 40 GHAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)sc1C 2730594 DMYZIUMZYPKLHH-UHFFFAOYSA-N 393.515 3.875 0 40 GHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N1CCc2ccccc2C1 3238333 XDFLOLQAIWHELN-UHFFFAOYSA-N 375.424 3.590 0 40 GHAB CCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2[C@@H](CC)CO)cc1 3297471 IKOMGGRTSDZSEC-KRWDZBQOSA-N 396.512 3.877 0 40 GHAB COc1ccc(NC(=S)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 4857642 XULSMVBGOJEVRR-UHFFFAOYSA-N 383.517 3.595 0 40 GHAB O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1cccc(Cl)c1 5259355 ZNHCZZVWESFIKY-UHFFFAOYSA-N 394.862 3.886 0 40 GHAB COc1ccc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c(OC)c1 5270596 ZMCRNWOYCRWDKF-UHFFFAOYSA-N 398.846 3.820 0 40 GHAB CC(C)O[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]21 5381364 UDCFLSZANCKOQT-QTMHVTGLSA-N 382.497 3.657 0 40 GHAB Cc1ccc2nc(COC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc(=O)n2c1 5427085 JLPBOLKFIDZRHO-UHFFFAOYSA-N 386.835 3.557 0 40 GHAB CCOc1ccccc1OCCC(=O)OCC(=O)Nc1c(C)cc(C)cc1C 6034627 RKRQTQSYVIDKLX-UHFFFAOYSA-N 385.460 3.961 0 40 GHAB Cc1ccc(-c2nnc(SCC(=O)Nc3nnc(C(C)C)s3)o2)cc1 6301070 FORWSSONLJAHHC-UHFFFAOYSA-N 375.479 3.751 0 40 GHAB COc1ccc(C(C)=O)c(OCC(=O)N(C)Cc2c(F)cccc2Cl)c1 6601209 FIZWYMCFIMYAOY-UHFFFAOYSA-N 379.815 3.728 0 40 GHAB O=C(NCc1ccc(F)cc1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O 6780028 QGCDFHHFSOXDSU-QFIPXVFZSA-N 388.442 3.709 0 40 GHAB CCC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 6946114 MOZXLGKDFHTBAO-INIZCTEOSA-N 380.554 3.535 0 40 GHAB c1ccc(-c2nnc(CSc3nnc([C@H]4COc5ccccc5O4)o3)o2)cc1 7089084 SEWJSQDSOILCPL-OAHLLOKOSA-N 394.412 3.924 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1Br 7406355 RDDWWVUYDQUNIK-INIZCTEOSA-N 377.282 3.999 0 40 GHAB COc1ccccc1CNC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 7909443 ATAGRDXEOASLIV-KRWDZBQOSA-N 381.501 3.758 0 40 GHAB CCOc1cc(CNc2nnnn2C)cc(Cl)c1OCc1ccc(F)cc1 8254016 HLZDACJPDDSVCG-UHFFFAOYSA-N 391.834 3.592 0 40 GHAB Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)Nc1cccc(Cl)c1 8433703 OLSSVAYDDKLVIR-UHFFFAOYSA-N 388.851 3.857 0 40 GHAB CC(C)(C)c1ccc(C(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1 8954827 ZCZAIVDUIAVFKK-UHFFFAOYSA-N 381.501 3.699 0 40 GHAB Cc1nc2c3ccccc3nc(SCC(=O)Nc3ccc(C)c(C)c3)n2n1 8990885 YKRIAZPYISQQAA-UHFFFAOYSA-N 377.473 3.934 0 40 GHAB Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)c4ccccc4)s3)CC2=O)c1 9199219 DHOPFBYYRQFSLY-MRXNPFEDSA-N 392.484 3.928 0 40 GHAB COc1ccc(Cc2nc3c4c(C)c(C)n(-c5ccccn5)c4ncn3n2)cc1 9341502 KXYNDTHLIZHULA-UHFFFAOYSA-N 384.443 3.679 0 40 GHAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)NCCc1ccccc1 9512940 QDRMXLCZTAEQCQ-UHFFFAOYSA-N 379.529 3.835 0 40 GHAB CSc1ccc(CC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 10252302 SARLLHXLRUYHFI-UHFFFAOYSA-N 392.527 3.603 0 40 GHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2OC)cc1 10302082 HKSSFXFLOQZRNT-UHFFFAOYSA-N 381.425 3.592 0 40 GHAB CCOC(CNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)OCC 10386646 JBSOTGNTJAOQPT-UHFFFAOYSA-N 396.278 3.933 0 40 GHAB COc1ccc(C(=O)OCC(=O)c2ccc(OC)c(Br)c2)cc1 10727747 IWNLGEJWCXIMQS-UHFFFAOYSA-N 379.206 3.506 0 40 GHAB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 10889764 OGJKWOSRVFSADE-IRXDYDNUSA-N 395.532 3.589 0 40 GHAB COc1ccc(CNC(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2C)cn1 10991482 LEDITNMCSXGWBJ-ZHACJKMWSA-N 390.487 3.590 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1cccc(NC(=O)c2ccco2)c1)c1cccs1 11202131 XUBJDXOJUHOKJG-MRXNPFEDSA-N 397.456 3.799 0 40 GHAB O=C(Nc1nc(CCC(=O)N2CCc3ccccc32)cs1)c1cccs1 11835188 CFKDEGQIRUGDRR-UHFFFAOYSA-N 383.498 3.979 0 40 GHAB CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1cccs1)c1ccccc1O2 12275003 ZNGSHDWCLSYVPO-IERDGZPVSA-N 384.501 3.773 0 40 GHAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCN(c2ncccn2)CC1 12389448 QJLYAZJQZDCXQD-UHFFFAOYSA-N 399.907 3.524 0 40 GHAB O=c1cc(-c2ccccc2)nc(SCc2nc(-c3ccc(F)cc3)no2)[nH]1 12414994 ZWHHTHKGCHMLLA-UHFFFAOYSA-N 380.404 3.918 0 40 GHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(F)cc1Br 12626352 OTFJORFWVBFTOW-UHFFFAOYSA-N 388.240 3.763 0 40 GHAB CS(=O)(=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 12787859 ZQBPCIOXDHAXNZ-UHFFFAOYSA-N 393.508 3.975 0 40 GHAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc(OC(F)F)c(Cl)c1 12798987 VKGLSKQLROTBJU-UHFFFAOYSA-N 396.699 3.761 0 40 GHAB COC(=O)c1sccc1S(=O)(=O)N(C)[C@H](C)c1cc2ccccc2o1 12945910 PFLNFQWWUQZTSW-LLVKDONJSA-N 379.459 3.663 0 40 GHAB O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)Nc1cc(Cl)cc(Cl)c1 13721215 ZBHMRPGMTYZURW-CQSZACIVSA-N 375.215 3.519 0 40 GHAB O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccc(F)cc1Br 14076703 QVJNPSVNZOHOAF-UHFFFAOYSA-N 399.223 3.532 0 40 GHAB Cc1cccc(Oc2ccc(NC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)c1 14196571 ALOHUASLKGOKPY-UHFFFAOYSA-N 382.441 3.687 0 40 GHAB COc1ccc(C)cc1CN1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 19133443 KDTBQLBSQPOOSK-CQSZACIVSA-N 387.434 3.759 0 40 GHAB COc1ccc(OC)c(CN2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1 19551617 NRELGORXQNUTQX-JOCHJYFZSA-N 382.435 3.965 0 40 GHAB Cc1noc(C)c1CC(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 19580461 CHQJOEXCNMHSBU-HXUWFJFHSA-N 392.455 3.705 0 40 GHAB Cc1nonc1COc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 19714269 FAJTVYXCGFZJKD-QGZVFWFLSA-N 393.443 3.989 0 40 GHAB Cc1c(N(C)C(=O)c2cc(F)c(F)cc2Cl)c(=O)n(-c2ccccc2)n1C 20293750 ULAKZOLLCBZBIQ-UHFFFAOYSA-N 391.805 3.693 0 40 GHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 20454169 LXZOWWOXGJLKQZ-HXUWFJFHSA-N 389.455 3.826 0 40 GHAB Cc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1C 20487639 WVFJQQHGSNXHGE-UHFFFAOYSA-N 386.517 3.871 0 40 GHAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cnc2ccccc2c1 21136476 VNYCJHMIFSMDBX-IBGZPJMESA-N 379.485 3.725 0 40 GHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C1 21471207 OFTJRIDWASEMFB-QGZVFWFLSA-N 389.455 3.712 0 40 GHAB CC(=O)c1ccc(-n2ccc3nc(N4CCc5ccccc5C4)ncc3c2=O)cc1 22608871 BHURFEHKTQYEJZ-UHFFFAOYSA-N 396.450 3.546 0 40 GHAB Cc1cc2occ(CC(=O)Nc3ccc(N4CCN(C)CC4)cc3)c2cc1C 23133889 NCDBRAKKEYEHSV-UHFFFAOYSA-N 377.488 3.983 0 40 GHAB CCOC(=O)c1ccc(N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)nc1 24055542 WYBUZDCMRYDGHL-UHFFFAOYSA-N 398.459 3.578 0 40 GHAB Cc1cc(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)ccc1F 24924629 JZSLPFHEUAKCFB-UHFFFAOYSA-N 399.491 3.870 0 40 GHAB C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccccc1N1CCc2ccccc2C1 25800806 KXXISYCKUMALHP-INIZCTEOSA-N 379.504 3.739 0 40 GHAB Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(S(C)(=O)=O)c3)o2)cc1 26945177 XZWWJLOQYINVDN-UHFFFAOYSA-N 384.457 3.625 0 40 GHAB O=C(c1cccc2ccccc12)N1CCN(C(=O)c2cccc3ncccc23)CC1 29254150 CWXDAMYMLAPQMY-UHFFFAOYSA-N 395.462 3.986 0 40 GHAB O=C1CCc2ccc(OCCCCS(=O)(=O)c3ccc(Cl)cc3)cc2N1 32074219 HNRVAZVCDRJUCG-UHFFFAOYSA-N 393.892 3.858 0 40 GHAB O=C(COc1cccc2ccccc12)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 32117715 JTZUDACMMOZSKJ-KXBFYZLASA-N 392.377 3.858 0 40 GHAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C(C)=O)s2)cc1Cl 32776893 LIGMOEVQZYOGRO-SNVBAGLBSA-N 381.837 3.797 0 40 GHAB COc1ccc(-c2nnc(COC(=O)c3cccc4c3O[C@@H](C)[C@@H]4C)o2)cc1 32842817 IXNJMQBDYGHXKE-STQMWFEESA-N 380.400 3.987 0 40 GHAB O=C1CN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)CCN1 32916655 BQPJJNPUEBGQBA-UHFFFAOYSA-N 398.677 3.835 0 40 GHAB CC[C@@H](C)c1ccc([C@H](NC(=O)Cn2cccnc2=O)c2cccs2)cc1 32948234 IIBWBHNTQDHCSA-QRWLVFNGSA-N 381.501 3.724 0 40 GHAB CCOc1ccc(NC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 35311966 TZMCKJBPTFGHNX-UHFFFAOYSA-N 381.476 3.820 0 40 GHAB COc1ccccc1[C@H]1[C@@H](C(=O)N(C)OC)CCC(=O)N1c1ccc(C)cc1 36037341 LJJHVFUZZVXSLD-RXVVDRJESA-N 382.460 3.508 0 40 GHAB CCCc1ccc([C@@H](NC(=O)Cn2c(=O)cnc3ccccc32)C(C)C)cc1 39983283 YSNQBHYADMUYGN-QHCPKHFHSA-N 377.488 3.863 0 40 GHAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc2c(c1)OCCCO2 40023519 KBAUVTJFDIGPFS-UHFFFAOYSA-N 375.428 3.775 0 40 GHAB C[C@H]1CCc2nc(NC(=O)c3ccc(OCc4nccn4C)cc3)sc2C1 40119418 KEYNTCBMAKAVRV-ZDUSSCGKSA-N 382.489 3.833 0 40 GHAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCCSc2ccccc21 40162225 NBHWMICHPHZIPE-UHFFFAOYSA-N 377.487 3.539 0 40 GHAB COc1cc(F)ccc1-c1ccc(=O)n([C@@H]2CCc3ccccc3N=C2O)n1 40286734 CTSLEFKRWZKVCC-GOSISDBHSA-N 379.391 3.834 0 40 GHAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 41089902 ILIYVIOYTQUAKM-UHFFFAOYSA-N 379.416 3.701 0 40 GHAB COc1ccc(CCC(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1 43983432 CRVMGEPRKVIJSC-UHFFFAOYSA-N 396.487 3.655 0 40 GHAB C[C@@H](SCc1ccccc1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 44372612 WXNIWUHAPFDWFP-HUUCEWRRSA-N 377.531 3.589 0 40 GHAB Cc1nc(C2(NC(=O)COc3ccc(C(F)(F)F)cc3)CCCCC2)no1 44404358 NPKYCUGYLSVUSJ-UHFFFAOYSA-N 383.370 3.751 0 40 GHAB O=C(Nc1nnc(-c2ccccn2)s1)c1cccnc1SCC(F)(F)F 46759749 XEFULDAWDQTWDA-UHFFFAOYSA-N 397.407 3.902 0 40 GHAB COc1cc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc(Cl)c1OC 47317694 PFYTWKLEUMQHMZ-UHFFFAOYSA-N 399.834 3.668 0 40 GHAB O=C(Nc1nc(CN2CCCCC2)cs1)[C@@H]1Cc2cc(Cl)ccc2O1 48333723 OXZYKLVFFNHROZ-INIZCTEOSA-N 377.897 3.725 0 40 GHAB Cc1ccc(CNC(=O)c2snc(-c3ccccn3)c2NC(=O)C2CC2)cc1 49007817 IGMZBCPMOSTAOI-UHFFFAOYSA-N 392.484 3.792 0 40 GHAB O=C(NC[C@H]1COCCO1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 55845975 YRFVWWKKGDSQEC-LBPRGKRZSA-N 388.876 3.762 0 40 GHAB CCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 57670624 QJRHLGZEORQVCT-OAQYLSRUSA-N 394.498 3.524 0 40 GHAB O=C(Nc1cccc2[nH]ccc12)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 58168283 ZTMZGVAXKPUZPY-GFCCVEGCSA-N 398.260 3.922 0 40 GHAB CC(C)(C)c1cnc(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)o1 58195960 RXHGKXHDVDLGPW-UHFFFAOYSA-N 375.900 3.974 0 40 GHAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 58218641 FJQQGTQWXNMBNK-MRXNPFEDSA-N 377.488 3.728 0 40 GHAB O=C1CCSc2ccc(C(=O)NCc3cc(-c4ccccc4)on3)cc2N1 65530542 LCNXGBLPOYWPKO-UHFFFAOYSA-N 379.441 3.706 0 40 GHAB Cc1ccc(OCCCC(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1 71797423 KVRYXVVXMOFZNF-UHFFFAOYSA-N 394.515 3.837 0 40 GHAB CCOc1cc2c(cc1OCC)CN(C(=O)c1cc(F)cc3[nH]cnc13)CC2 71819786 HEGRXWZEYXCQGP-UHFFFAOYSA-N 383.423 3.698 0 40 GHAB CN1CCC(C(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)CC1 72350397 DSCOFTZNBXSECW-HXUWFJFHSA-N 395.522 3.859 0 40 GHAB COc1cccc(OCCc2cc([C@H]3CCN(Cc4cnc(C)s4)C3)n[nH]2)c1 72371791 PPCLYNXJDLHBBV-INIZCTEOSA-N 398.532 3.794 0 40 GHAB Cc1c(C(=O)N2CCC(c3cccc(Oc4ccccc4)n3)CC2)cnn1C 72384061 AUSCBJWZPWYLEE-UHFFFAOYSA-N 376.460 3.936 0 40 GHAB Cc1cc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC[C@H](O)C4)cc3)cc2c1 72396155 ZWSHJVWYKIZDMQ-NRFANRHFSA-N 377.488 3.718 0 40 GHAB Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F 78751741 ONRQREGDAHIYSJ-UHFFFAOYSA-N 383.344 3.713 0 40 GHAB C[C@H](c1cccc(F)c1)N1CCN(C(=O)C[C@H]2CCOc3ccccc32)CC1 95406665 OWEMCGSLUNAGMO-IEBWSBKVSA-N 382.479 3.987 0 40 GHAB COCc1ccc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1 97102763 BGOXGIABPXYPNX-ROUUACIJSA-N 380.271 3.870 0 40 GHAB O=S(=O)(c1ccccc1)C1[C@@H]2CCC[C@@H]1C2(Br)Br 100708668 IIAPSHKZISHKOG-QWRGUYRKSA-N 394.128 3.745 0 40 GHAB Cc1c(NC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)ccc(Br)c1Cl 101656888 YUJYDADCILGKBW-YVHFKTLASA-N 384.657 3.547 0 40 GHAB C[C@@H](Oc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)C(=O)c1ccccc1 102531740 CSLIFTIOUYTAQM-XMWJODTMSA-N 387.435 3.648 0 40 GHAB CCn1c(S)nc2cc(C(=O)Nc3ccc(Cl)cc3F)ccc2c1=O 102828625 GXVUYDLMNYCMOJ-UHFFFAOYSA-N 377.828 3.750 0 40 GHAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COC[C@H]2C[C@H]3CC[C@H]2C3)CC1 106219812 DBSDEURTFPMJNX-CTAFRAEOSA-N 392.971 3.584 0 40 GHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1cccc(Cl)c1 223056660 CZPSJSTWJOJKBW-IBGZPJMESA-N 388.895 3.581 0 40 GHAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 223591546 ZEWYFOHHRYXAIN-OALUTQOASA-N 399.903 3.960 0 40 GHAB COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC)ccc1Cl 223827941 OHMRXORCZLGRKK-UHFFFAOYSA-N 390.244 3.589 0 40 GHAB Cc1cccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)c1 224314948 LCXMHRHATSNFBN-GOSISDBHSA-N 384.495 3.866 0 40 GHAB O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 224532864 RAKVAXQVPYERAC-UHFFFAOYSA-N 384.432 3.808 0 40 GHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(CC)cc1 224731951 ZYCSJSFMLJJOCS-LJQANCHMSA-N 396.531 3.880 0 40 GHAB COc1ccc(CCCNC(=O)COc2ccc3c(c2)CCCC3)cc1OC 224935543 VNOYFQWENDOGMA-UHFFFAOYSA-N 383.488 3.710 0 40 GHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 225496762 HXRXIGBCVBBKTM-QHCPKHFHSA-N 386.495 3.615 0 40 GHAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc2cc(OC)ccc2c1 225500190 HTOHWIBVKYQSRW-IBGZPJMESA-N 390.549 3.781 0 40 GHAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(N2CCc3sccc3C2)CC1 238817718 BWIYVQQIJRZRAR-UHFFFAOYSA-N 385.489 3.531 0 40 GHAB C[C@H](Cc1cc2ccccc2o1)NC(=O)CCc1ccc(S(C)(=O)=O)cc1 245060712 PXLUGQXFDALGMK-OAHLLOKOSA-N 385.485 3.516 0 40 GHAB NC(=O)C[C@@]1(COc2ccccc2)CCCN(C(=O)c2cccc(Cl)c2)C1 257234482 GTRKGTGUQJCTBJ-NRFANRHFSA-N 386.879 3.517 0 40 GHAB Cc1cc(Br)ccc1NCc1cc(Cl)ccc1OCC(N)=O 408604494 DLIXGLFHJDAMHO-UHFFFAOYSA-N 383.673 3.887 0 40 GHAB O=C(NCc1ccc(Cl)cc1)C(=O)NCC(c1ccccc1)c1ccccc1 408706992 HGJXLGXVGZDQPG-UHFFFAOYSA-N 392.886 3.905 0 40 GHAB Cc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)s1 409213809 TXPOERGJTPFBIM-YVLHZVERSA-N 398.509 3.678 0 40 GHAB CC(C)Cc1ncc(NC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)cn1 529090180 HMJMGGBRSCNTGT-UHFFFAOYSA-N 378.480 3.511 0 40 GHAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](n2cnc3ccccc32)C1 575617846 RSPQDPSNXZWCJQ-APWZRJJASA-N 398.507 3.599 0 40 GHAB CCCCS(=O)(=O)N1CC[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 585080359 YBMDZYZHJNTCEF-NSHDSACASA-N 399.866 3.618 0 40 GHAB Fc1ccc2ncnc(NC3CCN(c4ncnc5c4CCCC5)CC3)c2c1 585149258 BGZROUAAALYFDC-UHFFFAOYSA-N 378.455 3.519 0 40 GHAB Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)c2cccc3cccnc23)C1 585277364 VLIVYXCUKGOFNL-HSZRJFAPSA-N 376.456 3.589 0 40 GHAB O=C(/C=C/c1ccccc1Cl)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618254668 CGWWDRWQPUVWOO-ZNFPLGDCSA-N 379.847 3.976 0 40 GHAB CO[C@@H](C(=O)N(c1cc2c(cc1Cl)OCO2)C1CCCCC1)[C@H]1CCOC1 622834091 ZFKHKJHNYQFFAP-ORAYPTAESA-N 395.883 3.786 0 40 GHAB CCO[C@H](C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)C1CC1 623677858 DOXBVVAGIAULGI-PKTZIBPZSA-N 395.499 3.993 0 40 GHAB Cc1ccc(Cc2nc(C(=O)NC[C@H]3c4ccccc4CN3C)cs2)cc1 1532370365 QEQNNASFRMUVJS-FQEVSTJZSA-N 377.513 3.959 0 40 GHAB C[C@]1(C(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)CC=CCC1 1614941197 WQJQUQJUXALUMD-QFIPXVFZSA-N 396.466 3.753 0 40 GHAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)CCCc3ccccc3)CC2)n1 1775995150 FKVXSTJBNFQASQ-UHFFFAOYSA-N 381.520 3.727 0 40 GHAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)c3cncs3)CC2)cc(C)c1Cl 2037912679 UNGFUOPSBWZPGE-LJQANCHMSA-N 394.924 3.850 0 40 GHAB Cc1ccc(OCC2(O)CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1C 2037916056 KRSLVCGIMDPGJU-UHFFFAOYSA-N 392.499 3.760 0 40 GHAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)c1 856425 HKCVAMSGSUYJNH-UHFFFAOYSA-N 385.445 3.793 0 40 GHAB COc1ccc(-n2c(COc3cccc(C)c3)nnc2S[C@H](C)C(=O)O)cc1 916903 IZZYBVMNBHVYOC-CQSZACIVSA-N 399.472 3.729 0 40 GHAB Cc1cc(OCC(=O)N[C@H](c2ccccc2F)c2nccn2C)ccc1Cl 12579895 OKRUVJDPCWDJMO-LJQANCHMSA-N 387.842 3.806 0 40 GHAB Cc1nn(C)c(C)c1CNC(=O)c1ccccc1COc1ccc(F)cc1F 2796472 HOGSDMOVLHCBOY-UHFFFAOYSA-N 385.414 3.824 0 40 GHAB COc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 3322073 RFXBRMXLBRTUPN-UHFFFAOYSA-N 390.439 3.918 0 40 GHAB COc1cc(CNC[C@@H](c2ccccc2Cl)N(C)C)cc2c1OCCO2 25358575 GUQKKBXMRIPHQF-KRWDZBQOSA-N 376.884 3.512 0 40 GHAB CCc1ccc(NC(=O)[C@@H](C)Sc2nncn2-c2ccccc2OC)cc1 4894882 PESGBSVHANVFLB-CQSZACIVSA-N 382.489 3.958 0 40 GHAB COC(=O)COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1Cl 6362166 GCORGAVYSWKGSA-UHFFFAOYSA-N 397.880 3.618 0 40 GHAB CCOC(=O)C1=C(C)N(C)[C@@]2(SC(C(C)=O)=NN2c2cccc(C)c2)S1 6810022 UUJHHXVOVUVBGK-SFHVURJKSA-N 391.518 3.535 0 40 GHAB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OCC 6959257 LBYPTBKHOTZLHK-RGEXLXHISA-N 378.472 3.792 0 40 GHAB O=C(OCC(=O)c1cccs1)c1ccc(Cn2nnc3ccccc32)cc1 7169569 AMXLRGIVGRBUKB-UHFFFAOYSA-N 377.425 3.581 0 40 GHAB COc1ccccc1CCC(=O)OCC(=O)Nc1cc(C)c(Cl)cc1OC 7787046 BXKDVYNVZYHTHI-UHFFFAOYSA-N 391.851 3.780 0 40 GHAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc3c(s2)CCCCCC3)c1 7843119 VHXLBJSQSUVCIJ-UHFFFAOYSA-N 392.546 3.910 0 40 GHAB CC[C@@H](C)CN(C)c1ccc(F)cc1CNc1cccc(S(N)(=O)=O)c1 96003659 NMPFYTUWLAJYAR-CQSZACIVSA-N 379.501 3.568 0 40 GHAB Cc1ccc(C(=O)N2CCCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 3275031 BWYPRNOOODOFIJ-UHFFFAOYSA-N 398.528 3.763 0 40 GHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cccc(F)c2)CC1 100750036 BOBRELJYPCYMIB-FVJLSDCUSA-N 383.467 3.634 0 40 GHAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(Br)o1 3248209 RBOMJRVTVRXACM-UHFFFAOYSA-N 380.238 3.636 0 40 GHAB COC(=O)[C@]1(Cc2ccccc2F)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186320 IHTDYAZQAUYTQQ-XQFWAAQXSA-N 381.447 3.534 0 40 GHAB COc1cccc(C(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C)nn43)CC2)c1 100159260 TYGUWDUYIKTLIS-CALCHBBNSA-N 378.476 3.750 0 40 GHAB O=C(Nc1ccc2c(c1)C(=O)NC2)c1csc(COc2ccc(Cl)cc2)n1 58748544 CACPFQXVZYYYEU-UHFFFAOYSA-N 399.859 3.871 0 40 GHAB CC(=O)Nc1cccc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)c1 36354276 CWGZTLXLWLZOCW-UHFFFAOYSA-N 396.374 3.569 0 40 GHAB CCCCOc1ccccc1/C=c1/sc2nc(-c3ccccc3)nn2c1=O 2364849 XSOFOLDFXZZIJM-NBVRZTHBSA-N 377.469 3.545 0 40 GHAB O=C(Nc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)s1)C1CC1 11740765 TVJCJCBVLLCYJZ-OAHLLOKOSA-N 397.500 3.588 0 40 GHAB Cc1nc(C)n([C@H](C)Cc2cc(O)n3nc(-c4cccc(Cl)c4)cc3n2)n1 100776222 AKWGHTNNZSMYEM-LLVKDONJSA-N 382.855 3.767 0 40 GHAB Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)CCn3cncn3)cc12 12313807 SGFIIDURZDHMSG-UHFFFAOYSA-N 377.423 3.580 0 40 GHAB O=C(NCCc1ccccc1F)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12389981 ULADDNWGXJZLFH-GOSISDBHSA-N 393.462 3.518 0 40 GHAB CCc1nn2c(N3CCN(c4ccccn4)CC3)cc(C)nc2c1-c1ccccc1 12421754 DGVGHQJYNFKMHN-UHFFFAOYSA-N 398.514 3.989 0 40 GHAB CC(=O)c1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1 3300072 OVGNBLZOERPFDB-UHFFFAOYSA-N 380.227 3.920 0 40 GHAB COc1cc(CNCc2ccc(Br)cc2F)cc(OC)c1OC 48301160 VZJSCSHYUYYNDE-UHFFFAOYSA-N 384.245 3.904 0 40 GHAB CCc1nc2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2nc1CC 3415252 OEGYDUAYDZZODS-UHFFFAOYSA-N 390.487 3.844 0 40 GHAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 3428352 LAGBMVDPEJOQNT-UHFFFAOYSA-N 380.469 3.856 0 40 GHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc2ccccc2o1 3561040 TXURKQANVVELKH-UHFFFAOYSA-N 399.453 3.942 0 40 GHAB CN(Cc1nc2ccccc2s1)C(=O)CN1CCC(c2ccc(O)cc2)CC1 12986720 VMSLFNJBUSNNDS-UHFFFAOYSA-N 395.528 3.840 0 40 GHAB O=C(O)c1sccc1S(=O)(=O)N(Cc1c(F)cccc1Cl)C1CC1 12923704 TTYWLWQFIOEJEM-UHFFFAOYSA-N 389.857 3.592 0 40 GHAB Cc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)cc1 49006038 VVOLSSDUYCWIRI-UHFFFAOYSA-N 390.443 3.666 0 40 GHAB CCOC(=O)c1c(NC(=O)C[C@H](C(=O)O)c2ccccc2)sc(C)c1C 13251076 YATDCRZPFLHHPE-AWEZNQCLSA-N 375.446 3.739 0 40 GHAB CCOc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 5002133 HPFOSLPXAITZIF-FUHWJXTLSA-N 395.455 3.561 0 40 GHAB CC(=O)N[C@H](CC(=O)OCc1cc(Cl)cc2c1OCOC2)c1ccccc1 4220044 XFXZZMWKVUGDED-GOSISDBHSA-N 389.835 3.517 0 40 GHAB O=C(CN1C(=O)CCOc2ccccc21)Nc1nc(-c2cccs2)cs1 39982775 LMTGCNBPNPXSQK-UHFFFAOYSA-N 385.470 3.626 0 40 GHAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)c1 4373475 OLMOPOXHMMZUSB-LJQANCHMSA-N 375.432 3.523 0 40 GHAB O=C(CSc1nncn1C1CC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 14093113 KBAAOGDHGAEAHH-UHFFFAOYSA-N 393.444 3.746 0 40 GHAB CCN1C(=O)[C@@](O)([C@H](C)C(=O)c2ccccc2)c2cc(Br)ccc21 4555018 NUPZOGKSSPUIHM-CWTRNNRKSA-N 388.261 3.522 0 40 GHAB Cc1csc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)n1 4503505 ATMZVEODGPIVLI-UHFFFAOYSA-N 379.898 3.631 0 40 GHAB Cc1ccc(OCc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)o2)cc1 4575797 HLDLBIREFZNIGM-HOCLYGCPSA-N 375.494 3.744 0 40 GHAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 4690313 VTJDVBQKJOHVNZ-UHFFFAOYSA-N 390.505 3.758 0 40 GHAB CCN(CC)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2OC)O1 4618871 RHXGUJCXMYYELV-UHFFFAOYSA-N 397.319 3.991 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccn3)C2=O)cc1Cl 409176085 GXNNSZSLUQGDFU-DHDCSXOGSA-N 387.848 3.718 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 5679642 USIBCFJNZYKBJJ-OAQYLSRUSA-N 393.468 3.504 0 40 GHAB O=C(CCc1nc(-c2ccccc2)no1)NCCc1c[nH]c2ccc(F)cc12 9419789 FPAJNDVSRQKEFQ-UHFFFAOYSA-N 378.407 3.649 0 40 GHAB CCOc1ccc(C(=O)OCC(=O)NCc2ccc(CC)cc2)cc1OCC 67197643 NGRSZFLJHSOCHJ-UHFFFAOYSA-N 385.460 3.520 0 40 GHAB C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccc(Cl)s1 8473859 LZGARXWSVODOIW-SECBINFHSA-N 397.953 3.510 0 40 GHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)NC(C)C)cc1 17301582 VRDGKWQCVMNOKU-OAQYLSRUSA-N 393.487 3.678 0 40 GHAB CCCOc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 8561026 IQYUFLXSWLTVNJ-INIZCTEOSA-N 382.460 3.637 0 40 GHAB COCc1nn2c(C)c(C(=O)Nc3ccccc3C)nnc2c1-c1ccccc1 21006111 UBZMJHKWTXRREE-UHFFFAOYSA-N 387.443 3.807 0 40 GHAB CC(C)CCO[C@H]1CCCC[C@H]1Nc1ccc(S(N)(=O)=O)c2cccnc12 95442272 LATJXGXGPISQIP-AEFFLSMTSA-N 391.537 3.668 0 40 GHAB Cc1ccc(-c2nc(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)cs2)cc1 8940300 DULFBWHHVFCMAZ-UHFFFAOYSA-N 397.544 3.983 0 40 GHAB COc1ccc2[nH]/c(=N/C(=O)c3sc(-c4ccncc4)nc3C)sc2c1 71280338 IJMGNFNBAKFVFG-UHFFFAOYSA-N 382.470 3.806 0 40 GHAB CCOc1ccc2nc(NC(=O)c3cn(Cc4ccccc4)nn3)sc2c1 24262261 QDAAYIBGDDNKSK-UHFFFAOYSA-N 379.445 3.587 0 40 GHAB O=C(c1cc2ccccc2s1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 432930842 GUUPFVKXVWDXHE-UHFFFAOYSA-N 392.406 3.673 0 40 GHAB Cc1cccc(CN(Cc2cccc(C)n2)c2ncc(Br)cn2)n1 95964280 OYEMTQVSYVCNRB-UHFFFAOYSA-N 384.281 3.853 0 40 GHAB O=C(CSc1nccn2nc(-c3cccs3)cc12)NCc1ccccc1 67290048 LPDZAMQFQHHGQI-UHFFFAOYSA-N 380.498 3.866 0 40 GHAB O=C(COc1ccc2ccccc2c1)N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 20083516 NAZVMRKYJCRHEF-BVYCBKJFSA-N 376.500 3.575 0 40 GHAB Cc1cc(C)cc(OCc2nnc(SCC(=O)NC3CCCCC3)o2)c1 20197031 UWPFEQILXWFQPZ-UHFFFAOYSA-N 375.494 3.806 0 40 GHAB O=C1C[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)N2N=CNC2=N1 38185837 WTFDFOZPEMNHTD-HNNXBMFYSA-N 389.242 3.748 0 40 GHAB CCc1nnc(NC(=O)c2ccc(Br)cc2Br)s1 33676353 FXUASCDMTKVBFX-UHFFFAOYSA-N 391.088 3.878 0 40 GHAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccc(Cl)cc1 30845075 FSIXOGNBYYMGKY-HXUWFJFHSA-N 383.879 3.527 0 40 GHAB CCN(CC(=O)Nc1c(C)cccc1C(C)C)S(=O)(=O)c1ccc(F)cc1 39985603 LCYMARFMDPBBCD-UHFFFAOYSA-N 392.496 3.907 0 40 GHAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)c(C)c1C 224189291 IUTUUKCBFFOHLT-UHFFFAOYSA-N 383.897 3.631 0 40 GHAB COc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(C)c(C)c3)n2)cc1 224135560 KQVVSFWFRSDRJV-UHFFFAOYSA-N 379.460 3.953 0 40 GHAB COc1ccc(-c2ncc(C(=O)Nc3ccc(OC)c(OC)c3)c(C)n2)cc1 223143196 HBDBCTCMCOULAW-UHFFFAOYSA-N 379.416 3.730 0 40 GHAB CCOC(=O)c1ccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)cc1 225794544 SKQKUAULJJQCRP-UHFFFAOYSA-N 375.428 3.805 0 40 GHAB CCN1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2N)CC1 226265322 BNCDKMUZPOJRGA-UHFFFAOYSA-N 380.536 3.961 0 40 GHAB CCOc1ccc(NC(=S)N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1 225722883 VNNMWZBKUIKYFO-SFHVURJKSA-N 392.546 3.927 0 40 GHAB CCCOCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OCC 224709140 QWRAGXBPVXUPJN-UHFFFAOYSA-N 396.531 3.970 0 40 GHAB CCOC(=O)CN(C)Cc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1 91695465 BGQFVDVRCIKXRT-UHFFFAOYSA-N 395.425 3.828 0 40 GHAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21 96242038 QHGXZONKZIGNHK-INIZCTEOSA-N 382.529 3.888 0 40 GHAB Cc1ccc(CCC(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)cc1 26959334 UQNXYRFBDCQWGQ-UHFFFAOYSA-N 393.575 3.955 0 40 GHAB COc1cccc2cc(C(=O)N3CCC(Oc4cc(C)nc(C)n4)CC3)oc12 253471973 HFRQPKRJOFHUOS-UHFFFAOYSA-N 381.432 3.532 0 40 GHAB O=c1c(=Cc2c(Cl)cccc2Cl)sc2nc(-c3ccc(F)cc3)nn12 254852719 LXIZKVKWBOYBLR-UHFFFAOYSA-N 392.242 3.812 0 40 GHAB O=C(Oc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccs1 250077293 FXESKKNNMUZRBR-BNBDDXAPSA-N 399.855 3.932 0 40 GHAB O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N[C@@]12CCC[C@H]1C2 663753496 KCWPLOBMSMAIDT-QFBILLFUSA-N 381.442 3.912 0 40 GHAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2ccccc2)c2ccccc2)cc1 68605176 ISISGLWHAAGRRN-OAQYLSRUSA-N 395.480 3.758 0 40 GHAB biogenic CC(=O)NC1CCN(C[C@@H](CN(C)Cc2ccccc2)c2ccccc2)CC1 585138578 HCPZFRNYIFWLBH-HSZRJFAPSA-N 379.548 3.503 0 40 GHAB COC[C@H]1CN(C(=O)c2ccsc2)CC12CCN(CC1CCCC1)CC2 585103302 OCLZTPPCGRCBPL-LJQANCHMSA-N 376.566 3.739 0 40 GHAB C/C(Cl)=C/CSc1nnc2n(C)c(=O)c3c4c(sc3n12)CCCC4 1301460 PZAXOAMSJOKMRW-CLFYSBASSA-N 380.926 3.756 0 40 GHAB CCc1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 5018210 IWEHJQATIKCNHW-UHFFFAOYSA-N 383.429 3.759 0 40 GHAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccccc2)cs1 5558043 GMUZZGKKLKQXFR-UHFFFAOYSA-N 391.452 3.825 0 40 GHAB COc1ccc(CN(Cc2c[nH]nc2-c2ccc(O)cc2)C[C@@H]2CCCO2)cc1 12116802 XFKOBNFRXQNSGS-QFIPXVFZSA-N 393.487 3.972 0 40 GHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)[C@H]3CCCO3)cc2n1 12230113 SOTVGLPZFKTXPT-LSDHHAIUSA-N 396.413 3.543 0 40 GHAB OC1(Cn2ccc3ccnc(Cl)c32)CCN(Cc2ccc(F)c(F)c2)CC1 12253951 GSPRMKHEOSOOJE-UHFFFAOYSA-N 391.849 3.995 0 40 GHAB CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCC(C(F)(F)F)CC3)ccc21 12291405 ZNVKCMPXMLPQBR-LJQANCHMSA-N 398.469 3.930 0 40 GHAB CCCN(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)c(F)c1F 13041942 ZWUTVQVXICKTLT-UHFFFAOYSA-N 397.372 3.532 0 40 GHAB CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714072 UYZVHJQLIFLLHP-KBXCAEBGSA-N 394.924 3.762 0 40 GHAB CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716465 GMUPPQSDCOLKSH-FQEVSTJZSA-N 392.565 3.855 0 40 GHAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)NCCc1cccc(Cl)c1 14813996 VFOHCGDUVNYAAY-UHFFFAOYSA-N 384.907 3.594 0 40 GHAB Cc1cc(C)cc(OCC(=O)O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 15220256 BFJRFZUNPSSONO-UTKZUKDTSA-N 381.472 3.808 0 40 GHAB CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NCc2ccc(F)cc2)no1 15673355 XFDZVZJAAUZCHF-ROUUACIJSA-N 387.499 3.631 0 40 GHAB biogenic,in-vitro COc1ccc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)C[C@H](C)O3)cc1OC 19498081 YTJLLMCLLLIISK-KXBFYZLASA-N 381.472 3.933 0 40 GHAB Cc1cc(C(=O)N2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c34)C2)on1 19568790 AFTBMUNSNBAFPP-NSHDSACASA-N 394.353 3.866 0 40 GHAB CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1n[nH]c2c1CCCC2 19589160 YHRWZSDTGNASGZ-JMUQELJHSA-N 392.547 3.771 0 40 GHAB CC[C@H](C)C(=O)O[C@@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 14883340 GVBNSPFBYXGREE-KQPNJSLMSA-N 388.416 3.526 0 40 GHAB biogenic,in-man O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1ccc(Br)cc1 3600562 LVOKUCTVBFBMBH-IBGZPJMESA-N 385.261 3.733 0 40 GHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 6923309 HHSXMQPLGVOPSI-IBGZPJMESA-N 377.488 3.664 0 40 GHAB CC(C)c1ocnc1CN1C[C@H]2CN(c3ncccc3C(F)(F)F)C[C@@H]2C1 1888863932 GSTAEOXKSVMEON-KBPBESRZSA-N 380.414 3.780 0 40 GHAB COc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)cc1OC 4224255 SQDOIOFHYQZUBB-SFHVURJKSA-N 398.440 3.606 0 40 GHAB CCc1ccc(NC(=O)CSc2nccn(-c3ccc(C)cc3)c2=O)cc1 9320389 PPRRDFGNUQBBTC-UHFFFAOYSA-N 379.485 3.834 0 40 GHAB Cc1ccc(CNC(=O)c2nnn(-c3cccc(C)c3)c2-c2cccnc2)cc1 49003609 ZTLWXDZAPKKKNH-UHFFFAOYSA-N 383.455 3.876 0 40 GHAB CN(C)C(=O)Nc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1 40135185 VSVRWYICHJFGRL-UHFFFAOYSA-N 398.444 3.939 0 40 GHAB C[C@H](NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1Cl 32652236 FAYNQOAUZGAOAU-VQFGERMISA-N 397.950 3.848 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)c1c[nH]nc1-c1ccc(F)cc1 21413693 SFULGQQQSBAIRS-UHFFFAOYSA-N 378.451 3.742 0 40 GHAB CC1CCN(Cc2ccccc2CNC(=O)c2cccc(C[S@](C)=O)c2)CC1 32930421 JXIJECYKBNOLJI-MUUNZHRXSA-N 398.572 3.727 0 40 GHAB CCn1c(S)nc2cc(C(=O)Nc3ccc4ncccc4c3)ccc2c1=O 103469678 XKOSSMKQGGFNEK-UHFFFAOYSA-N 376.441 3.506 0 40 GHAB Cc1cc(NC(=O)[C@H](Nc2ccc3c(c2)OCCCO3)c2ccccc2)no1 53780538 ZSBRNKUKGZPWJN-HXUWFJFHSA-N 379.416 3.936 0 40 GHAB O=C(Cc1csc(-c2cc(Br)cs2)n1)NCc1ccncc1 54125750 VPOXRGYYCRWEDJ-UHFFFAOYSA-N 394.319 3.888 0 40 GHAB Cc1nc2ccc(C(=O)O[C@H](C)C(=O)Nc3nc(C)c(C)s3)cc2nc1C 42469802 OFLCEFQONVEYGJ-GFCCVEGCSA-N 384.461 3.504 0 40 GHAB CC[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CCO1 23893856 MVSCVOTWTKQXJZ-IBGZPJMESA-N 391.471 3.799 0 40 GHAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1ccccc1 797325 ZRYFPHAWFNLNPR-UHFFFAOYSA-N 385.375 3.527 0 40 GHAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)NCc1ccccc1 905352 PECNUJSHFREUSA-UHFFFAOYSA-N 394.456 3.588 0 40 GHAB CCOC(=O)CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1 907247 FAUFCORRMHNABA-UHFFFAOYSA-N 383.429 3.644 0 40 GHAB Cc1cccc(/C=C2/N=C(c3cccc(I)c3)OC2=O)c1 1084833 LJIXTXKHIZZQER-OQLLNIDSSA-N 389.192 3.944 0 40 GHAB CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 1250943 VFTLZBGWLQIIJQ-GOSISDBHSA-N 383.448 3.989 0 40 GHAB COc1cccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)c1 1379191 AMEJPPGQDITXGS-UHFFFAOYSA-N 399.501 3.695 0 40 GHAB O=C(NCc1ccccc1)c1nnn(Cc2ccccc2)c1NCc1ccccc1 1418443 OFRLASHIAVOLHL-UHFFFAOYSA-N 397.482 3.869 0 40 GHAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC(F)(F)F)cc2)N1 2151509 BSLISAZEHOCJOB-HZPDHXFCSA-N 376.334 3.755 0 40 GHAB biogenic CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCC[C@@H](C)C1 2219001 MOSKJPPFBGVAKB-CYBMUJFWSA-N 375.444 3.544 0 40 GHAB CCc1c(C)sc2nc(SCC(=O)Nc3ccc(F)cc3)n(C)c(=O)c12 3313531 SWFOSTMAKUBRCW-UHFFFAOYSA-N 391.493 3.736 0 40 GHAB Cc1ccc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)cc1Cl 3346683 WJQNYFGTODSXQZ-LBPRGKRZSA-N 389.814 3.583 0 40 GHAB CCN(C(=O)COC(=O)Cn1cnc2ccccc21)c1cccc2ccccc12 3358818 KWMDCUYIQXJHIS-UHFFFAOYSA-N 387.439 3.786 0 40 GHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1COc2ccccc2O1 3554815 BFSNEAZQRLKRJZ-QGZVFWFLSA-N 397.349 3.509 0 40 GHAB COc1ccc(OC)c(-c2ncc(NC(=O)[C@H]3COc4ccccc4O3)s2)c1 4088568 KSMJNHIRXFIPOD-QGZVFWFLSA-N 398.440 3.606 0 40 GHAB COc1cc(NC(=S)NC(=O)c2ccc(F)cc2)ccc1NC(=O)C(C)C 4121897 JBNARRVKQJSHOX-UHFFFAOYSA-N 389.452 3.556 0 40 GHAB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1cc(Cl)ccc1F 4266140 CVIDYEBLDOTFMX-UHFFFAOYSA-N 375.816 3.734 0 40 GHAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 4285795 WDSBLRDJORDHQK-DGCLKSJQSA-N 391.562 3.650 0 40 GHAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C(C(=O)OC)=C(C)N2 4292253 IYKGCVIUZUCDBZ-HNNXBMFYSA-N 385.489 3.585 0 40 GHAB N=C1NC(=O)/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)S1 4723895 AZZSGPPPHOBRGD-ZSOIEALJSA-N 376.796 3.837 0 40 GHAB Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccc(C)c4)no3)CC2)cc1 4883082 HXZBHGOMWDDVJX-UHFFFAOYSA-N 397.500 3.922 0 40 GHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccn2)CC1 4951380 WIMMOVVTCGSXMC-CYBMUJFWSA-N 380.275 3.505 0 40 GHAB CC(=O)Nc1ccc(C(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)cc1 5060001 KCQBABKFYXVBHT-VFNWGFHPSA-N 396.516 3.980 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CSc2ccccc2C)c1C 5206700 GZZVKMJBAIPWNT-UHFFFAOYSA-N 389.473 3.635 0 40 GHAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCCC[C@@H]3C)c3ccccc32)cc1 5302821 JESCEGBCQYUTEP-UUOWRZLLSA-N 392.499 3.634 0 40 GHAB Cc1cc(C(=O)CSc2nccn2C)c(C)n1C[C@H]1COc2ccccc2O1 5359449 CXYSUVBPNKFJMU-INIZCTEOSA-N 397.500 3.653 0 40 GHAB CCC(CC)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(OC)c(OC)c1 5642588 UHWKPULSJKLYQE-KRWDZBQOSA-N 391.493 3.742 0 40 GHAB O=C(NC1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 6320971 IQEUPNSNCYTPHV-UHFFFAOYSA-N 398.956 3.967 0 40 GHAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)c3ccccc3)n2C)cc1 6501943 NMNVDKJNHOKAEU-OAHLLOKOSA-N 394.500 3.590 0 40 GHAB Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)c1C 7319772 XCWWAXWMWVYBHN-INIZCTEOSA-N 383.521 3.959 0 40 GHAB O=C(CCC1CCCCC1)OCc1cc(=O)n2cc(Br)ccc2n1 7701670 MGARAPOKNXXCFQ-UHFFFAOYSA-N 393.281 3.861 0 40 GHAB Cc1cc(C)n2c(S[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)nnc2n1 7779993 DCIOODBLHNXDCA-VIFPVBQESA-N 397.291 3.562 0 40 GHAB O=C(NCCC1=CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 7881177 MEFFMUXHKBXKRR-UHFFFAOYSA-N 396.940 3.745 0 40 GHAB COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7928405 BIJBXHWFTGISDF-LLVKDONJSA-N 379.243 3.994 0 40 GHAB NC(=O)N[C@@H](CC(=O)NCc1cccs1)c1cccc(Oc2ccccc2)c1 7986020 JTRPTZSFQGMRCH-IBGZPJMESA-N 395.484 3.956 0 40 GHAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 8103085 XBQRVVMLPXEFIL-LBPRGKRZSA-N 394.422 3.918 0 40 GHAB COc1ccc(Cl)cc1/C=C\C(=O)Nc1cc(OC)c(OC)cc1C(=O)O 8186855 CJQUYACCKJNKOK-DAXSKMNVSA-N 391.807 3.716 0 40 GHAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc2c(c1)OCO2 8261841 BWICMPRZFAVBRN-CQSZACIVSA-N 395.484 3.843 0 40 GHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCOC 8500090 SKMVFKPRJOOGQJ-GOSISDBHSA-N 390.867 3.512 0 40 GHAB Oc1nncc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1Cl 8684330 PDTNQLUPXVRVEL-UHFFFAOYSA-N 380.879 3.747 0 40 GHAB Cc1nn(-c2ccc(C(=O)OCC(=O)N3CCCCCC3)cc2)c(C)c1Cl 9248836 SLDYRDLRPVTANO-UHFFFAOYSA-N 389.883 3.702 0 40 GHAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2O)nnc1-c1ccccc1F 9615063 ZSVAGOHPMSYXFF-UHFFFAOYSA-N 392.843 3.711 0 40 GHAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(S(C)(=O)=O)cc1 10384760 HNVHHTOURZKJJW-HNNXBMFYSA-N 398.484 3.555 0 40 GHAB COc1ccccc1CNC(=O)CCn1c(-c2cccnc2)cc2cccnc21 12222699 DVFZRXCJMHQHHM-UHFFFAOYSA-N 386.455 3.813 0 40 GHAB Cc1cc(C(F)(F)F)n2nc(C3CCN(Cc4cnc(C)nc4)CC3)cc2n1 12337754 BAVVKFGQMDRLTL-UHFFFAOYSA-N 390.413 3.535 0 40 GHAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc3c(c2)NC(=O)CO3)c(C)s1 12775679 PDCSIWOTNJYSLX-UHFFFAOYSA-N 393.468 3.939 0 40 GHAB COc1ccc(C)cc1NC(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12780674 TZCRGFPLWDQCHJ-ZWKOTPCHSA-N 395.503 3.681 0 40 GHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccc(C)cc1C 12913323 IGQFKOXXXZGPFR-UHFFFAOYSA-N 399.878 3.621 0 40 GHAB COc1ccc(CNC(=O)CSc2ccc(F)c(Cl)c2)cc1C(=O)O 12936241 MEXATRKOSNJMBF-UHFFFAOYSA-N 383.828 3.594 0 40 GHAB COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccc(F)cc3)oc12 13426943 FZGGCNWAIYQOBU-QEQSUZCXSA-N 396.418 3.722 0 40 GHAB CC[C@@H](C(=O)NC(C(C)C)C(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714387 HBTGIWMNGDTVPX-INIZCTEOSA-N 388.961 3.681 0 40 GHAB CCN1CCn2c(nc3cc(NC(=O)c4ccc(-n5cccc5)cc4)ccc32)C1 13724825 VZECROYKTIIQJH-UHFFFAOYSA-N 385.471 3.915 0 40 GHAB Cc1ccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1 14102956 FIJDKFOSWCPBRN-UHFFFAOYSA-N 378.544 3.939 0 40 GHAB CCCOc1ccc(/C=C2\N=C(c3ccc(OC)c(OC)c3)OC2=O)cc1OC 14241103 QKIGWDKCCWJYIY-WJDWOHSUSA-N 397.427 3.846 0 40 GHAB CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 15652769 HYIUPUFEVNJBGP-MRXNPFEDSA-N 388.533 3.545 0 40 GHAB C[C@H]1CCc2ccccc2N1CC(=O)N(C)CC(=O)Nc1ccccc1Cl 16339064 KQJCVFPKGSXTEM-HNNXBMFYSA-N 385.895 3.578 0 40 GHAB Cc1ccc(-c2csc3ncn(Cc4ccc(C(N)=O)cc4)c(=O)c23)cc1C 16818466 DNZVHSUNWDDETH-UHFFFAOYSA-N 389.480 3.889 0 40 GHAB CN1CCc2nc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2C1 16916172 ULRDWCNMQTXSLC-UHFFFAOYSA-N 377.469 3.614 0 40 GHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCOc2cc(C)cc(C)c2)cc1 17479792 XOPCNUKXPDMODQ-UHFFFAOYSA-N 375.490 3.596 0 40 GHAB Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 18006383 LPVNXQAWGWPTTF-IYBDPMFKSA-N 386.517 3.914 0 40 GHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 18131181 IOPJCIDJMNTDRI-FQEVSTJZSA-N 388.533 3.519 0 40 GHAB Cn1ccnc1[C@@H](NC(=O)[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1 19291184 HISDHZJSKBUWOC-LEWJYISDSA-N 392.478 3.602 0 40 GHAB O=C(NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)c1ccccn1 19400355 DRRWCIKWTVFERG-UHFFFAOYSA-N 387.418 3.576 0 40 GHAB CCc1oc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(OC)cc2)cc1COC 19521499 WEQUDWSIOQEAPW-NRFANRHFSA-N 395.459 3.508 0 40 GHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)n1 19572808 WBQMYNLZCBQABA-HKUYNNGSSA-N 391.519 3.988 0 40 GHAB CN(C)c1cccc(C(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c1 19585057 VINRSQOSTKDIBB-NRFANRHFSA-N 379.435 3.654 0 40 GHAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1 20010487 KNJOATHEPPPLNN-UHFFFAOYSA-N 379.287 3.717 0 40 GHAB CN1CCN(C(=O)CCCc2cn(CN3CCCCCC3)c3ccccc23)CC1 20647493 SYJARPOEBVUAKY-UHFFFAOYSA-N 396.579 3.572 0 40 GHAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1c(F)cccc1Cl)SCC(=O)N2 20729091 VHQZOKHMPZKXMR-HNNXBMFYSA-N 389.843 3.538 0 40 GHAB Cc1ccc(CNC(=O)c2cnc3scc(-c4ccc(F)cc4)n3c2=O)cc1 20767893 QALFMDMPQGBHOH-UHFFFAOYSA-N 393.443 3.801 0 40 GHAB C[C@H]1CN(C(C)(C)CNc2nc(-c3cccnc3)nc3ccccc23)C[C@H](C)O1 22358675 AJMSMJPUCKYWGA-IRXDYDNUSA-N 391.519 3.992 0 40 GHAB O=C(NCc1ccco1)[C@@H]1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1 23142770 GRASXAIOAKQFNA-MRXNPFEDSA-N 396.878 3.923 0 40 GHAB COc1ccc(Cl)cc1C(=O)NC[C@H](c1cn(C)c2ccccc12)N(C)C 23239898 SUFLZEWINHPANH-LJQANCHMSA-N 385.895 3.873 0 40 GHAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cccc(C(F)(F)F)c1 27979250 UFVMNSJPXBSNKV-HNNXBMFYSA-N 381.350 3.908 0 40 GHAB Cc1cc(=O)c(C(=O)N2C[C@@H](C)C[C@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 28199697 FTDOPHBFPRWZAP-STQMWFEESA-N 393.409 3.678 0 40 GHAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)c1 28286997 REEKQXKTSBKBPB-LBPRGKRZSA-N 380.400 3.935 0 40 GHAB O=C(NCc1ccccc1CN1CCCC1)c1cc(Br)ccc1O 28813977 JRFOKFUVPVZXCQ-UHFFFAOYSA-N 389.293 3.681 0 40 GHAB COc1cc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)ccc1OC(C)C 30853946 UJAWWBWASFXWTC-UHFFFAOYSA-N 396.487 3.535 0 40 GHAB O=C1Nc2ccc(F)cc2[C@]12CC(O)=Nc1c2cnn1Cc1ccc(Cl)cc1 32073994 ARHUTLIKXYIOKY-FQEVSTJZSA-N 396.809 3.954 0 40 GHAB O=C(Nc1nccs1)[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1 32090061 CHVKLEFBFKKHFL-QMMMGPOBSA-N 389.786 3.807 0 40 GHAB CCn1cc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)o2)cn1 32610299 GRKRKCKQZHWIKP-UHFFFAOYSA-N 377.857 3.646 0 40 GHAB CCOC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H]2c2cccs2)cc1 32769211 KJQMBEWMROVVRJ-SJLPKXTDSA-N 375.490 3.502 0 40 GHAB C[C@@H]1CCCN(C(=O)C2CCN(c3ncnc4c3oc3ccccc34)CC2)C1 33290439 YTZKTWHRONFMMY-OAHLLOKOSA-N 378.476 3.851 0 40 GHAB Cc1cc(C)cc(C(=O)NCC(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 36210020 OPTQNSKABBKNRD-MRXNPFEDSA-N 392.455 3.638 0 40 GHAB Cc1ccccc1Oc1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1 36293770 RAJRZONWHZRZEN-UHFFFAOYSA-N 397.452 3.964 0 40 GHAB COc1ccccc1CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C)c(C)c1 36392165 YBHFCQITCQSLGW-LJQANCHMSA-N 389.517 3.682 0 40 GHAB CC(C)C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NC1CC1 36585304 XAEXYDKXQAIMEG-QGZVFWFLSA-N 396.516 3.510 0 40 GHAB COc1ccc(CN(C)C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1F 36874551 VJEWJBDPTCSSSX-HXUWFJFHSA-N 382.435 3.757 0 40 GHAB CCC[C@H](NC(C)=O)C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 40156810 LJSZEOJQMKKCLK-INIZCTEOSA-N 393.281 3.630 0 40 GHAB CCc1nn2c(ncc3c(=O)n([C@H](C(=O)O)C(C)C)ccc32)c1-c1ccccc1 40387889 FFQZVJBFNUAQLT-IBGZPJMESA-N 390.443 3.555 0 40 GHAB CCc1ccc(-c2n[nH]c(S[C@H](C)c3nnnn3-c3ccccc3)n2)cc1 41575104 BSABAXMQVARIQL-CYBMUJFWSA-N 377.477 3.863 0 40 GHAB Cc1cc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c2c(C)nn(C)c2n1 42699062 VSKJYTNXJTWGSM-NRFANRHFSA-N 385.471 3.842 0 40 GHAB Cc1cc(C)n(-c2ccccc2NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)n1 44208617 FIXRJGHMKUIOGN-UHFFFAOYSA-N 399.401 3.528 0 40 GHAB C[C@H]1CCC[C@@H](C)C12NC(=O)N(CN(Cc1ccc(F)cc1F)C1CC1)C2=O 48340525 PRWYNPLCPDIRNL-UDQVXKKJSA-N 391.462 3.633 0 40 GHAB C[C@H](NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CCCC1 48345138 YQMYKQWPILYEHY-DJYGCBNOSA-N 388.817 3.936 0 40 GHAB Cc1ccccc1NC(=O)CN1CCc2[nH]c3c(C)c(Cl)ccc3c(=O)c2C1 49003165 YWIGOPGFABGAQU-UHFFFAOYSA-N 395.890 3.795 0 40 GHAB COc1cc(/C=C/CO)ccc1O[C@@H](C)Cc1cc(OC)c(OC)c(OC)c1 49181063 CZVGIALASULOAU-LFAOLKIESA-N 388.460 3.737 0 40 GHAB biogenic,in-vitro Cc1csc(NC(=O)c2cc(=O)c(OCc3cccc(Cl)c3)cn2C)n1 49551264 IVOXWWYMAQDNCB-UHFFFAOYSA-N 389.864 3.635 0 40 GHAB O=c1[nH]nc(SCCCSc2ccccc2Cl)n1C[C@H]1CCCO1 57745296 OOYCGNVUHYSXPN-GFCCVEGCSA-N 385.942 3.678 0 40 GHAB COc1ccccc1C1(O)CCN(Cc2cnc(-c3ccccc3C)nc2)CC1 57822802 GNZQYTVHJMFHQH-UHFFFAOYSA-N 389.499 3.944 0 40 GHAB O=C(CCCn1nnc(-c2ccccc2)n1)Nc1ccc(Br)cc1 58014165 KQHLEUPSXLHPIH-UHFFFAOYSA-N 386.253 3.522 0 40 GHAB O=C(NC1CCN(C(=O)CCc2cccc(Cl)c2)CC1)C1CCCCC1 58225004 MXWKAFIUQNLUDP-UHFFFAOYSA-N 376.928 3.960 0 40 GHAB Cc1ccc(CNC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)cc1F 58292301 OXKDRLOGAKIJQH-UHFFFAOYSA-N 388.439 3.788 0 40 GHAB CCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(OC)cc1OC)C3 61997728 SRIFACWQGBADES-UHFFFAOYSA-N 381.428 3.725 0 40 GHAB biogenic C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)[C@@H](C)n1cncn1 72314236 WKUKCNQBIYLCAJ-WDEREUQCSA-N 379.251 3.590 0 40 GHAB COc1ccccc1-c1ccccc1C[C@H]1C(=O)N(C)CCN1C(=O)CC(C)C 72351477 VEEUFAAJNNTVTH-NRFANRHFSA-N 394.515 3.620 0 40 GHAB COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)Nc1ccc(OC)c(Cl)c1 77200050 JHJPYAKISHGQBJ-QGZVFWFLSA-N 392.814 3.792 0 40 GHAB O=C(Nc1ccncc1)c1cccc(CNC(=O)c2cc(-c3ccccc3)no2)c1 78813481 FPLNWFWWRNNKOJ-UHFFFAOYSA-N 398.422 3.919 0 40 GHAB Cc1nc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)oc1-c1ccc(Cl)cc1 79093163 TVTHIOLIFZDETL-UHFFFAOYSA-N 387.823 3.537 0 40 GHAB Cc1cn2c(n1)CC[C@@H](N[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C2 89702173 BJYBYQYJLAVTJY-CTNGQTDRSA-N 378.451 3.615 0 40 GHAB c1cnc(N2CCC3(CC2)C[C@H](NCc2ccoc2)c2ccccc2O3)nc1 96079823 FCXXHIAZFHNRMI-IBGZPJMESA-N 376.460 3.722 0 40 GHAB CN(C)[C@H]1CCN(C(=O)c2cc(-c3ccn(C4CCCC4)n3)n3ccccc23)C1 96266714 IXIDBWSYQZYVEZ-SFHVURJKSA-N 391.519 3.694 0 40 GHAB O=C(Nc1ccn(Cc2ccccn2)n1)Nc1cc(F)ccc1OC(F)F 97117532 RXBCZFYZUZYFSO-UHFFFAOYSA-N 377.326 3.711 0 40 GHAB Cc1oc(-c2cccs2)nc1CS(=O)(=O)C[C@H](O)c1c(F)cccc1F 98151386 DHUSUHJROVPKKF-AWEZNQCLSA-N 399.440 3.638 0 40 GHAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2ccc(C)s2)c2ccccn2)CC1 100750363 DQAMVDQRQFDVHU-QKLQHJQFSA-N 385.533 3.865 0 40 GHAB COc1ccc([C@@H]2c3c(ncn(CCO)c3=N)Oc3ccc4ccccc4c32)cc1 101146680 XSQRYFYSVCMSMM-FQEVSTJZSA-N 399.450 3.803 0 40 GHAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccccc1Oc1ccccc1 103066608 NZTPHYXWEGGGPT-IRXDYDNUSA-N 378.428 3.593 0 40 GHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)c1 106091713 CJSACSLCNGCLQX-MDOVXXIYSA-N 382.460 3.516 0 40 GHAB OCCN1CCC(c2cncc(Nc3ncc(-c4ccccc4)s3)n2)CC1 143346340 IXMDHZWXSIXNPV-UHFFFAOYSA-N 381.505 3.515 0 40 GHAB CN(c1cc(Br)cc(Br)c1N)C1CCC(O)CC1 198650544 DKNCYGLJNGSSFY-UHFFFAOYSA-N 378.108 3.534 0 40 GHAB O=C1OC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)c2ccccc21 206769436 QUASDISUAQCSOP-UHFFFAOYSA-N 391.345 3.887 0 40 GHAB CC(C)CCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 217480292 FIIJSWMPXKZUGF-HNNXBMFYSA-N 390.505 3.882 0 40 GHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 223289176 FMBLUBSTGDJFPA-SFTDATJTSA-N 397.592 3.922 0 40 GHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(C)C)c2)c(OC)c1 223741356 MXBIAIOTGYPWFE-UHFFFAOYSA-N 393.505 3.657 0 40 GHAB COc1ccc(F)cc1S(=O)(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225263096 UMJZBCUVYMZIRB-UHFFFAOYSA-N 399.856 3.807 0 40 GHAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 225285240 DTXRIOSHDMDPOU-QGZVFWFLSA-N 393.487 3.754 0 40 GHAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 225582992 UEXXMWFJKXTAJQ-GOSISDBHSA-N 388.581 3.754 0 40 GHAB COc1ccccc1C(=O)Nc1cc(Br)c2nc(N)sc2c1 226310745 GNAHNHVIPVULLE-UHFFFAOYSA-N 378.251 3.902 0 40 GHAB O=C(c1cccc(-n2cccn2)c1)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1 238827468 FCDOLAHCMOMBAL-OAHLLOKOSA-N 391.456 3.614 0 40 GHAB O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@@H](Oc2cccc3cccnc23)C1 238961542 YNJLOYSANGNLIE-OAQYLSRUSA-N 398.466 3.773 0 40 GHAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 257202139 AKQJVCYMGPJCCQ-PMAPCBKXSA-N 383.511 3.989 0 40 GHAB Cc1cnc(C(=O)N2CCC[C@](C)(c3ncc(Cc4cccc(F)c4)o3)C2)cn1 257222142 DSCQTUFOVVBGFA-QFIPXVFZSA-N 394.450 3.697 0 40 GHAB Cc1cccc(CN2C[C@H]3c4cc(-c5ccncc5)ccc4S(=O)(=O)[C@H]3C2)c1 306127285 FTZLSDFVPWBTIK-GMAHTHKFSA-N 390.508 3.812 0 40 GHAB CCOc1ccc(S(=O)(=O)N[C@H](C)CC)cc1NC(=O)c1ccccc1F 408557770 NXJKHTISWUTOEX-CYBMUJFWSA-N 394.468 3.554 0 40 GHAB CCCCCC1=NN(C(=O)COc2ccc(F)cc2)[C@](O)(C(F)(F)F)C1 409345947 LXLMJVZDRCRSGN-MRXNPFEDSA-N 376.350 3.624 0 40 GHAB O=C(NCCCc1cccc(C(F)(F)F)c1)c1ccnc(NC(=O)C2CC2)c1 508390527 FWNABGWQKRVEAI-UHFFFAOYSA-N 391.393 3.812 0 40 GHAB COC(=O)c1cc(F)ccc1S(=O)(=O)N(C)[C@@H](C)c1ccc(C)cc1C 535355808 XEJILXRJWQPSBV-AWEZNQCLSA-N 379.453 3.611 0 40 GHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC[C@H](n2cnc3ccccc32)C1 575615277 CSCZNPNZMJMCBC-KRWDZBQOSA-N 389.434 3.663 0 40 GHAB C[C@@H](NC(=O)N=c1[nH]nc([C@H]2CCCO2)s1)c1cccc(C(F)(F)F)c1 640740372 SJRLQQQJEMWSKU-BXKDBHETSA-N 386.399 3.713 0 40 GHAB O=C([C@H]1CC=CCC1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888864402 FANWGIQACRRJNF-SFHVURJKSA-N 380.492 3.580 0 40 GHAB Cc1nc(CN2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)cs1 1888881889 HCZDBISCKWLGKZ-UHFFFAOYSA-N 386.496 3.521 0 40 GHAB CC(=O)Nc1cnn([C@H]2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 1888970049 LAFLLQTUONSGJA-QFIPXVFZSA-N 388.471 3.525 0 40 GHAB O=C(c1cccc(Cl)c1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 2055819273 FSIPJWAUYBUSDP-UHFFFAOYSA-N 383.879 3.532 0 40 GHAB Fc1cc(F)c2nc(N3C[C@@H]4CN(c5ncccc5F)C[C@H]4C3)sc2c1 2087048840 FZOVBFVNPMCASM-QWRGUYRKSA-N 376.407 3.681 0 40 GHAB O=C([C@@H]1CCCN(c2ccc(C(F)(F)F)nc2)C1)N1CCC(F)(F)CC1 2298042979 JLPNUNRTWNWTTI-GFCCVEGCSA-N 377.357 3.575 0 40 GHAB O=C(NCc1ccccc1Cl)C1CCN(C(=O)NC2CCCCC2)CC1 797092 GGFGXQUFBRYBEY-UHFFFAOYSA-N 377.916 3.711 0 40 GHAB Cc1cccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)c1 873754 MFZPUMWKTQWUFZ-UHFFFAOYSA-N 379.445 3.507 0 40 GHAB COc1cccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)c1OC 1511218 WEZCAFRZSZTSSG-UVTDQMKNSA-N 388.217 3.811 0 40 GHAB O=C(COc1ccccc1)Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O 2330507 GJYKZULDFWRWOZ-HNNXBMFYSA-N 391.402 3.546 0 40 GHAB COc1ccc2c(c1)[nH]c1c(N3CCN(c4ccccc4F)CC3)ncnc12 2422292 BMTYWFQMNIVEQM-UHFFFAOYSA-N 377.423 3.585 0 40 GHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1[nH]c(C)c(C(C)=O)c1C 2623870 PNENQPQZOMUIOU-UHFFFAOYSA-N 390.461 3.511 0 40 GHAB CC(C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1 3091971 OTMIEFWTEGMASY-UHFFFAOYSA-N 387.328 3.554 0 40 GHAB biogenic C[C@@H](NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 3229700 OZNCZFKDUZYMOP-CQSZACIVSA-N 375.852 3.918 0 40 GHAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N 3345264 KXXONXYXJLRTER-UHFFFAOYSA-N 381.505 3.569 0 40 GHAB Cc1cc(Cl)ccc1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCCO2 4369348 JNBACCUDMGMLFP-XVNBXDOJSA-N 387.819 3.615 0 40 GHAB COc1ccc(C)c2sc(N3CCN(C(=O)c4cccc(F)c4)CC3)nc12 4583545 CMAODZYCYKNOLJ-UHFFFAOYSA-N 385.464 3.715 0 40 GHAB O=C1C[C@H](NCCc2ccccc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 4615476 RSHZWDMMMKXUTH-INIZCTEOSA-N 396.796 3.823 0 40 GHAB CCCCOc1ccc(N[C@](NC(=O)CC)(C(=O)OCC)C(F)(F)F)cc1 4794332 PTLFTAYHPGUVHC-KRWDZBQOSA-N 390.402 3.625 0 40 GHAB Cc1cccc(OCc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)o2)c1 5294047 YUMJREPAZDYWAF-GDBMZVCRSA-N 375.494 3.744 0 40 GHAB O=C1C[C@@]2(CC(c3ccc(Cl)cc3)=NO2)C(=O)N1c1ccc(Cl)cc1 5338925 ZUDKCPJWQDGADW-SFHVURJKSA-N 375.211 3.820 0 40 GHAB O=C(CSc1ncnc2c1cnn2Cc1ccccc1)c1ccc(F)cc1 5562174 KMWFNDYTRMVCKH-UHFFFAOYSA-N 378.432 3.989 0 40 GHAB Cc1ccc(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c(C)c1 6032740 GLFNGHOUCVCEIZ-UHFFFAOYSA-N 383.444 3.578 0 40 GHAB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)[C@@H]2C)cc1 6078808 KDSTVMKBKVSMQF-LBPRGKRZSA-N 389.814 3.583 0 40 GHAB Cc1ccc(C(=O)N[S@@](=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 6211537 MABLENRTHWMZLL-MUUNZHRXSA-N 393.468 3.668 0 40 GHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1c[nH]c2ccccc12 6219936 GRNXSKVXJBCHMG-UHFFFAOYSA-N 382.416 3.543 0 40 GHAB CC(C)N(C(=O)COC(=O)c1csc(NCc2ccccc2)n1)C(C)C 6373507 IMUBQATYIGTKIW-UHFFFAOYSA-N 375.494 3.557 0 40 GHAB CCCC(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12 6569714 PXZUUTWGRIPHEV-UHFFFAOYSA-N 378.428 3.669 0 40 GHAB O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)c1ccc2c(c1)OCO2 6609154 AOEPGXHSIMWDSG-UHFFFAOYSA-N 381.428 3.938 0 40 GHAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)O)c(C)c12 6624111 NHGBUIVLEYBCEO-HNNXBMFYSA-N 399.443 3.622 0 40 GHAB biogenic CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)C(C)(C)C)cc1 6630479 KLZHVXJWGRGVDK-UHFFFAOYSA-N 399.516 3.712 0 40 GHAB Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2ccc(C(C)C)cc2)N(CCO)C3=O)c1 6753208 DNAHFMPBQQUHDA-QFIPXVFZSA-N 391.471 3.752 0 40 GHAB COc1cc2c(cc1NC(=O)[C@@H]1CS[C@@]3(C)CCC(=O)N13)oc1ccccc12 6945708 VRJOQLCNKQSRKM-BTYIYWSLSA-N 396.468 3.987 0 40 GHAB O=C(Cn1cnc2sccc2c1=O)N[C@H](c1ccc(F)cc1)c1cccs1 7086312 VWYMFXSOXMYFGE-QGZVFWFLSA-N 399.472 3.564 0 40 GHAB COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1 7218139 SXSIPDPBUDBJFM-SNVBAGLBSA-N 388.258 3.636 0 40 GHAB CSCCCNC(=S)Nc1cccc(-c2nnc3n2CCCCC3)c1 7582550 GTYYKHWANNPPTO-UHFFFAOYSA-N 375.567 3.711 0 40 GHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCSc3ccccc32)c1 7988329 FOVRLZJISBOBKA-HNNXBMFYSA-N 381.906 3.710 0 40 GHAB CCC(=O)N(c1nnc(SCC(=O)c2c[nH]c3ccccc23)s1)C1CC1 8075846 QIXULYUVMIQRBT-UHFFFAOYSA-N 386.502 3.900 0 40 GHAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc3ccccc3c1)C2=O 8231488 HWXMRLNGZSCEPG-IQMFZBJNSA-N 393.487 3.915 0 40 GHAB CC(=O)N[C@H](CC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 8394943 BXUCUAAVUUIJID-MRXNPFEDSA-N 384.823 3.596 0 40 GHAB C[C@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)Nc1ccccc1 8640294 AMITWKQANYYQHC-NSHDSACASA-N 385.514 3.983 0 40 GHAB O=C(Nc1nnc(SCc2cccs2)s1)[C@H]1COc2ccccc2O1 8755550 CRBJHFXJQVZEFH-CYBMUJFWSA-N 391.499 3.670 0 40 GHAB CCCCN1C(=O)[C@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(C)=O 9287572 KHLXIUFBGHSWPJ-DEOSSOPVSA-N 387.483 3.963 0 40 GHAB Cc1ccccc1NC(=O)CSc1nnc2n1CCN2c1ccc(F)cc1 9573958 IURQBYYGNHQGKV-UHFFFAOYSA-N 383.452 3.608 0 40 GHAB O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@H]1c1nc2ccccc2s1 10275688 JIWQWOLOYYHJSE-INIZCTEOSA-N 393.468 3.958 0 40 GHAB Cc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1NS(C)(=O)=O 10314610 CLUHFOJNOHLJET-UHFFFAOYSA-N 387.288 3.603 0 40 GHAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 12062901 BPDKMWAFDQNISB-IBGZPJMESA-N 391.423 3.843 0 40 GHAB O=C(NC[C@H]1CCCOC1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134245 ONJKXPNMYGNQAG-LJQANCHMSA-N 394.515 3.631 0 40 GHAB COc1ccc(C2(O)CCN(C[C@@H](O)c3ccc4ccccc4c3)CC2)cc1 12292317 MKKNNVCKFOYGCE-HSZRJFAPSA-N 377.484 3.865 0 40 GHAB Cc1cc(C)c(NC(=O)CN(C)Cc2ccccc2N2CCOCC2)c(C)c1 12517432 VTXGSCXIJVDNEV-UHFFFAOYSA-N 381.520 3.519 0 40 GHAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12574348 AJPVPZTYTBFIFE-FUHWJXTLSA-N 392.484 3.730 0 40 GHAB O=C(O)c1sc(-c2ccccc2)cc1NC(=O)[C@H]1COc2ccccc2O1 12613399 JFCGISBOSDCLEW-MRXNPFEDSA-N 381.409 3.892 0 40 GHAB COc1ccc(NC(=O)NCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 12925724 HXRQHSDOSFTZAN-UHFFFAOYSA-N 396.472 3.887 0 40 GHAB O=C1C(=O)N(CCOc2ccccc2Cl)c2ccc(Br)cc21 12998084 WPKJPDPBKFNAGJ-UHFFFAOYSA-N 380.625 3.711 0 40 GHAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1 13000080 YJGCPVSHOBCAFH-AWEZNQCLSA-N 397.899 3.799 0 40 GHAB O=C(c1cc2ccccc2nc1C1CCN(C(=O)C2CC2)CC1)N1CCCC1 13267588 QJFDMHAKBGOJFO-UHFFFAOYSA-N 377.488 3.587 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OC 13581360 AAXYSQROHHAILD-UHFFFAOYSA-N 390.505 3.595 0 40 GHAB O=C1O[C@H](Nc2ncc(Br)cc2Br)c2ccccc21 13648200 HMCWALZNDPNFKV-LBPRGKRZSA-N 384.027 3.888 0 40 GHAB CCOC(=O)c1sc2nc(CN[C@H](c3ccccc3)C(C)C)[nH]c(=O)c2c1C 14086068 XRCLBQVGFCDWAV-KRWDZBQOSA-N 399.516 3.957 0 40 GHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 14188197 LQNRWOLLBXEDMN-KRWDZBQOSA-N 386.517 3.916 0 40 GHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)on1 14566355 SSFCIYYCZRJUGQ-YPMHNXCESA-N 381.432 3.773 0 40 GHAB CS(=O)(=O)c1cccc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)c1 14631305 RPRSHSJMFXSDNZ-UHFFFAOYSA-N 395.436 3.562 0 40 GHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 15243324 NZTMFBNKTPDISG-UHFFFAOYSA-N 385.272 3.703 0 40 GHAB O=c1oc2ccccc2c(NCc2ccc3c(c2)OCO3)c1CN1CCCC1 16525264 AWKTUVOZZKOFLW-UHFFFAOYSA-N 378.428 3.730 0 40 GHAB CCOC(=O)Nc1ccc2c(CN(C)CCOc3ccccc3)cc(=O)oc2c1 16560945 GWDIDSHHTLFSPR-UHFFFAOYSA-N 396.443 3.872 0 40 GHAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)[C@H]3CCCC[C@H]32)cc1 19082849 QHIHZQMSMBVNSQ-VCTHZUDLSA-N 398.547 3.731 0 40 GHAB COc1cccc(C(=O)N2CCC[C@H](c3nc(C)ncc3-c3cc(C)no3)C2)c1 19122140 FXGQVELJTUQCNR-KRWDZBQOSA-N 392.459 3.777 0 40 GHAB Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)c3cccnc3)cc2)on1 19123933 CDNRUOBTDLFXFX-UHFFFAOYSA-N 385.427 3.740 0 40 GHAB Cc1cc(-c2cncnc2)cc(C2CCN(C(=O)COc3ccccc3)CC2)n1 19692172 UGKMJVHJOGSLCV-UHFFFAOYSA-N 388.471 3.632 0 40 GHAB CCCCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1 19937316 USAYLYIEYBORFG-UHFFFAOYSA-N 391.427 3.646 0 40 GHAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)cc1 20595480 QLCUVFLKQNVVKD-UHFFFAOYSA-N 392.864 3.954 0 40 GHAB O=C(Cc1csc(-c2ccccc2)n1)N1CCN(Cc2ccccc2)CC1 21005068 PGQCYDXXPHAPGI-UHFFFAOYSA-N 377.513 3.697 0 40 GHAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCc1nc(-c2cccnc2)no1 21322597 LIFXBKAFAYFXAW-VOTSOKGWSA-N 375.306 3.907 0 40 GHAB Cc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1-n1cccc1 22240033 HFBSYPCMSPCYRQ-UHFFFAOYSA-N 386.455 3.836 0 40 GHAB CC(C)c1noc2ncc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)cc12 22989001 HFBIJQMBNRTIOG-QWHCGFSZSA-N 399.422 3.908 0 40 GHAB CSc1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 23017597 GOXXXCISJZEYTK-MRXNPFEDSA-N 388.558 3.981 0 40 GHAB COc1ccc([C@@H](CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)NC(C)=O)cc1 23764772 VDCPXAIKWBSKSG-ZUOKHONESA-N 390.430 3.760 0 40 GHAB Cn1cc(/C=C/C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cn1 24344542 IPMKVDVBNCDDKT-AATRIKPKSA-N 376.247 3.624 0 40 GHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(OC)c(C)c1 27744049 JIESHWHJWJEJDI-HNNXBMFYSA-N 385.395 3.989 0 40 GHAB CCCS(=O)(=O)c1ncc(Cl)c(-c2nnc(-c3ccc(Cl)cc3)o2)n1 28287095 AIGWSMXKQVPWEP-UHFFFAOYSA-N 399.259 3.684 0 40 GHAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc(F)ccc1Br 29291052 FVUCVPFFQPXJDP-UHFFFAOYSA-N 391.240 3.963 0 40 GHAB O=C(NCCNc1ccc(C(F)(F)F)cn1)c1ccc(Br)cc1 32818302 FEOAXSHNKJKNCO-UHFFFAOYSA-N 388.187 3.705 0 40 GHAB O=C(NCc1ccccc1OC(F)F)[C@H]1CCCCN1C(=O)c1cccs1 32908440 CTIBPNSCQOJXSB-CQSZACIVSA-N 394.443 3.661 0 40 GHAB Cc1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1N1CCCC1=O 32921653 MHIZMACPTMUKLL-UHFFFAOYSA-N 378.472 3.809 0 40 GHAB Cc1cc(=O)c(C(=O)N2CCCc3ccccc32)nn1-c1ccccc1Cl 36783565 UJWNLUYIMKAUCX-UHFFFAOYSA-N 379.847 3.787 0 40 GHAB COc1ccc(C(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)cc1 38479326 VOBWRRQQYURNHT-UHFFFAOYSA-N 399.244 3.564 0 40 GHAB C[C@H](OC(=O)c1ccc(-n2cncn2)cc1)c1nc2ccccc2n1C(F)F 39976110 NUUIPVFRQCCDBV-LBPRGKRZSA-N 383.358 3.930 0 40 GHAB COc1cc(Cl)c(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1OC 40088135 FBXJLHQMNASQQJ-QGZVFWFLSA-N 378.787 3.628 0 40 GHAB COc1ccc([C@H]2CCCCCN2Cc2cc(=O)n3nc(C)sc3n2)cc1 43272836 CAXJZQQPGGGBPI-GOSISDBHSA-N 384.505 3.585 0 40 GHAB CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1OC 43984025 YLEHZQLQTAJBJW-QGMBQPNBSA-N 395.213 3.606 0 40 GHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCOCC2)cc1 44855422 SYJXXSLIEOCCPG-OAQYLSRUSA-N 394.515 3.859 0 40 GHAB O[C@@H](CSc1nnc(Nc2ccccc2F)s1)c1ccc2c(c1)OCO2 48345282 LIEHCYVTFQOZEG-ZDUSSCGKSA-N 391.449 3.975 0 40 GHAB O=C1c2ccccc2N[C@@H](c2cn3ccccc3n2)N1c1ccc2c(c1)OCO2 48367217 XJWQBWMTTLEDHB-OAQYLSRUSA-N 384.395 3.834 0 40 GHAB Cc1ccc(NC(=O)CN2CC(c3nc(-c4cccs4)no3)C2)cc1Cl 49484531 XUQGCLBFUNGWNR-UHFFFAOYSA-N 388.880 3.798 0 40 GHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 53517399 GXBPWUYMCWMTKK-UHFFFAOYSA-N 388.471 3.639 0 40 GHAB CCOC(=O)c1sc2nc(C)nc(N[C@@H]3c4ccccc4C[C@@H]3O)c2c1C 53602105 FQUTWXVVMFJCSZ-GOEBONIOSA-N 383.473 3.555 0 40 GHAB COc1ccc(CCC(=O)NCCOc2cccc3ccccc23)cc1OC 54592211 MHHHDVDACLWXSA-UHFFFAOYSA-N 379.456 3.985 0 40 GHAB CCN(CC)Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 57276149 NGNPUNQFYDSZCC-LJQANCHMSA-N 383.511 3.924 0 40 GHAB CN(C)c1ccc(NC(=O)CNC(=O)c2cc3c(s2)CCCC3)cc1Cl 58217620 NNVBKBVMBVBZBU-UHFFFAOYSA-N 391.924 3.715 0 40 GHAB CC[C@@H](Nc1nc(-c2ccncc2)nc2c1CCNC2)c1ccc(OC)cc1 67650735 MWMGGGOGIYQISJ-LJQANCHMSA-N 375.476 3.756 0 40 GHAB O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 72303643 JNRYFGXKMUJINU-RZUBCFFCSA-N 395.499 3.973 0 40 GHAB CCc1cc(=O)n2nc(N(C)[C@H](C)[C@@H](C)c3ccc(Cl)cc3)sc2n1 72310628 XMTKJGHYMGFZEM-VXGBXAGGSA-N 376.913 3.995 0 40 GHAB COc1cc(CNc2ncc(-c3cnccn3)c(-c3ccco3)n2)cc(OC)c1 72338693 QACKXDXTRRADIS-UHFFFAOYSA-N 389.415 3.823 0 40 GHAB C[C@@H]1CN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)C[C@@H](C)O1 72339469 UZNZEVGNDOYNEJ-HUUCEWRRSA-N 390.443 3.548 0 40 GHAB NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)c1 72348996 DKCRHORXHLUIDR-NRFANRHFSA-N 399.494 3.796 0 40 GHAB CCN1CCC[C@@H]1CNC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 96114402 VEIYYDIBKOCFJA-MRXNPFEDSA-N 396.487 3.607 0 40 GHAB biogenic O=C(COc1ccccc1F)NCCn1nc(-c2cccs2)cc1C1CC1 96121602 MKPYPBBXFBPGRD-UHFFFAOYSA-N 385.464 3.823 0 40 GHAB C/C(=C\C(=O)N[C@H]1CCCN(c2ncccn2)C1)C12CC3CC(CC(C3)C1)C2 96133998 QAZKXJHBTDCHDN-QPQBEMNLSA-N 380.536 3.724 0 40 GHAB O=S(=O)(NCC1(Sc2ccccc2)CCOCC1)c1ccccc1Cl 96331181 PEUYDXLSAWKWLF-UHFFFAOYSA-N 397.949 3.960 0 40 GHAB COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(OC)c(F)c3)n2)cc1 98212234 VDGWUWKKHJGZIB-QGZVFWFLSA-N 397.406 3.870 0 40 GHAB O=C(Cc1ccccc1F)NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98212603 FQGSKZSRTNWKFB-UHFFFAOYSA-N 378.451 3.544 0 40 GHAB COc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC=C(C)C[C@H]4C3=O)c2)c1 100694715 HIIUJVFBIAJBJV-VQTJNVASSA-N 390.439 3.793 0 40 GHAB CCOCCn1/c(=N/C(=O)C(C)(C)C)sc2cc(Br)ccc21 100873441 SAUMADNGFAGPHQ-SDXDJHTJSA-N 385.327 3.975 0 40 GHAB Cc1ccccc1CCC(=O)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101323069 LHRMMPYIYHJOJO-WOJBJXKFSA-N 397.540 3.924 0 40 GHAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cn1nc(-c2ccc(C)cc2)[nH]c1=S 110570730 WAQONBKFBKDSSV-ULQDDVLXSA-N 386.521 3.680 0 40 GHAB CCOC[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218571707 WSBPFZSUIWBSBP-HSALFYBXSA-N 393.936 3.570 0 40 GHAB COc1ccc(-c2noc(CNC(=O)c3cc4ccccc4cc3OC)n2)cc1 219395508 FKLYDUVYTYOPNC-UHFFFAOYSA-N 389.411 3.837 0 40 GHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223874613 DVDXDJNVWUGLIM-FZKQIMNGSA-N 395.908 3.778 0 40 GHAB O=S(=O)(Cc1ccc(Br)cc1)NCCSC1CCCC1 224137374 ASBMLCFJIGERFC-UHFFFAOYSA-N 378.357 3.544 0 40 GHAB CCN(Cc1ccc(C(=O)NC(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 224452430 ZUPFJWFWDCXVKP-UHFFFAOYSA-N 388.533 3.734 0 40 GHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(OC)cc2)cc1Cl 224870891 JEVTYEARXUMYEI-UHFFFAOYSA-N 397.880 3.741 0 40 GHAB Cc1cccc(CSCCNC(=S)Nc2ccc(C(=O)N(C)C)cc2)c1 225339262 KXQNVABGKJDMOR-UHFFFAOYSA-N 387.574 3.917 0 40 GHAB Cc1cc(NC(=O)c2ccccc2Br)cc2sc(NN)nc12 226310172 GIPMEKZSRCRLHM-UHFFFAOYSA-N 377.267 3.905 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 244157610 UWVQMSWAAAUZGQ-UHFFFAOYSA-N 388.533 3.833 0 40 GHAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1Cl 244517742 ZQOUZMFOMGDOSQ-UHFFFAOYSA-N 391.251 3.537 0 40 GHAB Cc1cccnc1C(=O)N1CCC[C@H]1CCc1cnc(-c2c(C)noc2C)cn1 257219659 DHPITDFQEUHKCX-SFHVURJKSA-N 391.475 3.689 0 40 GHAB O=C(Cc1cccnc1)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 257288488 PUJXKGSGCUSJGH-KOMQPUFPSA-N 382.489 3.826 0 40 GHAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)c2c(F)cccc2F)C1 257289434 PYOOYYOZQWVJTP-AWEZNQCLSA-N 398.413 3.731 0 40 GHAB CC(C)C[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 260767564 NNWXKBIMRNATQA-PMACEKPBSA-N 388.533 3.523 0 40 GHAB Cc1nc2cc(C(=O)Nc3ccc(I)cc3)ccc2o1 408731826 QCRUCOITSQTYDP-UHFFFAOYSA-N 378.169 3.993 0 40 GHAB COc1cc(NC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)cc(OC)c1C 529107545 FPJDRHIIUMNRJG-UHFFFAOYSA-N 394.475 3.848 0 40 GHAB COC(=O)c1ccc(C(=O)NC[C@H](c2csc3ccccc23)N(C)C)cc1 575618676 AXJABULDMUXBRP-GOSISDBHSA-N 382.485 3.721 0 40 GHAB C/C(=C\C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(F)cc1F 585080276 XTJCKLAPABVTCU-APEZIOSESA-N 398.453 3.718 0 40 GHAB Cc1cnc(Nc2cccc(C3CCN(C(=O)C4(N)CCCCC4)CC3)n2)s1 585263647 XTIFUHORXZKWON-UHFFFAOYSA-N 399.564 3.958 0 40 GHAB COc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2C)c2c[nH]c3ccccc23)cc1 588921789 ZKYBIOIWJFTICI-KNQAVFIVSA-N 377.488 3.519 0 40 GHAB COc1c(C)cccc1CN1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615158418 RYEQURFUKLCTJE-QHCPKHFHSA-N 398.478 3.541 0 40 GHAB COc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C)cc4)cc3n2)cc1 846100 WMVJWBMOSMXIKZ-UHFFFAOYSA-N 388.427 3.755 0 40 GHAB COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)cc1 1362685 HIKMWHSMRIVWPM-GOSISDBHSA-N 377.444 3.694 0 40 GHAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N1CCCc2ccccc21 2656456 UZCPAIUKPQVJBH-HNNXBMFYSA-N 394.500 3.736 0 40 GHAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)N1CCCc2ccccc21 2656457 UZCPAIUKPQVJBH-OAHLLOKOSA-N 394.500 3.736 0 40 GHAB CCc1ccc(OCc2ccc(C(=O)Nn3c(C)nnc3SC)cc2)cc1 2794298 RGBAWZBCIMQBMZ-UHFFFAOYSA-N 382.489 3.834 0 40 GHAB CCOc1ncccc1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 3219406 WQKDFWCFYHSNBW-UHFFFAOYSA-N 390.439 3.543 0 40 GHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)c(C)cc1C 3587923 SCXNDSKBQNOLLK-UHFFFAOYSA-N 382.489 3.880 0 40 GHAB Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1c[nH]c2ccccc12 4138389 NOOHVPRQBLHPJA-UHFFFAOYSA-N 399.426 3.972 0 40 GHAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1ccc(Cl)cc1 4224797 DWNOEOATUAIKFM-SANMLTNESA-N 389.839 3.679 0 40 GHAB CN(C)c1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccccc1 4710331 GUDWWFOCKSPBLK-UHFFFAOYSA-N 395.484 3.806 0 40 GHAB CCC(=O)Nc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2C)cc1 4800372 NCTCSIYYXJQVBL-UHFFFAOYSA-N 394.500 3.729 0 40 GHAB Cc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 5149276 MKGQPAKGURQIAM-NRFANRHFSA-N 385.529 3.948 0 40 GHAB COc1cc(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)cc(OC)c1OC 5169503 LOWBOVMMWLOTNO-UHFFFAOYSA-N 389.795 3.668 0 40 GHAB COc1ccc(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1F 5970707 DQSAIQSPAOVYLY-UHFFFAOYSA-N 386.423 3.822 0 40 GHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(-c3cccs3)n[nH]2)c1C 6035467 FUPOKLAWBYCZAG-SNVBAGLBSA-N 390.490 3.628 0 40 GHAB Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)O)[nH]1 6329554 UOPLOVCRQFNECK-SXGWCWSVSA-N 399.432 3.647 0 40 GHAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(-c2ccc(CO)o2)c1 6615838 FHWJRGMLEGSHNB-FMIVXFBMSA-N 378.453 3.965 0 40 GHAB O=C(Nc1cc(Cl)ccc1Cl)c1nn(-c2ccc(F)cc2)ccc1=O 6757698 DDOHIUQOPRQEID-UHFFFAOYSA-N 378.190 3.931 0 40 GHAB CCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCC[C@H]1C 6947989 AKRFVYWNFYORME-QGZVFWFLSA-N 386.565 3.966 0 40 GHAB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(=O)O)c1C 6962371 WQWDMICAXBRGQS-YDZHTSKRSA-N 391.427 3.565 0 40 GHAB COc1cc(OC)c(OC)cc1CNC(=O)c1cc(Br)ccc1F 7275427 JEPWTPRQYGGIQP-UHFFFAOYSA-N 398.228 3.544 0 40 GHAB COc1cc(/C=C/C(=O)Nc2ccnn2Cc2ccccc2)cc(OC)c1OC 7525001 NPUAKDKWQGUGCY-MDZDMXLPSA-N 393.443 3.609 0 40 GHAB O=C(NC1CCCCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683665 XNUUEWRSOVNEEU-GOSISDBHSA-N 398.956 3.722 0 40 GHAB COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7842873 MGKORKXBMAYMQE-KRWDZBQOSA-N 389.407 3.585 0 40 GHAB O=C1Cc2cc(C(=O)CSc3nc(C4CC4)n(-c4ccccc4)n3)ccc2N1 8313639 VNLDPKIGKRHIQJ-UHFFFAOYSA-N 390.468 3.614 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc3c(c2)OCCO3)c1C 8327420 DTBDWNQQJGOJOX-ZDUSSCGKSA-N 389.473 3.943 0 40 GHAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)OC(C)C)CC1=O 8845037 KCJPGKRFFKYZHU-KRWDZBQOSA-N 391.471 3.817 0 40 GHAB CCC1CCC2(CC1)NC(=O)N(Cc1cc(Cl)c3c(c1)OCCO3)C2=O 8879654 BMEGVYXKYSCFHU-UHFFFAOYSA-N 378.856 3.502 0 40 GHAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)N[C@@H](C)c3cccs3)cnc12 9157615 MXVCPYUONKDABE-LBPRGKRZSA-N 398.513 3.562 0 40 GHAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccnc3)cs2)c1 10253378 OABSJYYRWKOWLS-UHFFFAOYSA-N 387.486 3.640 0 40 GHAB COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCCC3)cc2)C(C)C)cc1 10429468 FYZFSSTUTQYUSJ-NRFANRHFSA-N 395.503 3.689 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCC(=O)Nc1c(F)cccc1F 10948503 KDCAHMJPWWASAW-JKIFEVAISA-N 383.435 3.924 0 40 GHAB Cc1cc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c2c(C)noc2n1 11201921 RZPKFERDZGFKAV-UHFFFAOYSA-N 376.372 3.937 0 40 GHAB COc1cc(OC)c(C2=CCN(C(=O)COc3ccccc3C)CC2)c(OC)c1 11918604 NPQZGLSIKQBGRQ-UHFFFAOYSA-N 397.471 3.716 0 40 GHAB COc1ccc(C(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)cc1OC 12086926 KYPHYQCRDWPQSB-KRWDZBQOSA-N 383.444 3.507 0 40 GHAB COc1cccc(NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)c1 12195745 BOBOGMKAHVVUBJ-UHFFFAOYSA-N 394.880 3.531 0 40 GHAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)n1 12201088 JPWOFXZNJGUMNN-IVZQSRNASA-N 390.443 3.806 0 40 GHAB Cc1cccc(N2CCN(Cn3ncn(-c4ccccc4F)c3=S)CC2)c1 12554820 MMIWQLOPLXZJDP-UHFFFAOYSA-N 383.496 3.631 0 40 GHAB CN(Cc1cccc(F)c1)C(=O)Cn1c(-c2cscn2)nc2ccccc21 12627353 FZAVRRDYUAXJKB-UHFFFAOYSA-N 380.448 3.958 0 40 GHAB C[C@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2 12742147 MFFPNSRORCIWFN-LBPRGKRZSA-N 380.366 3.766 0 40 GHAB CC(=O)Nc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 13004255 SYLKYAAFNZPSLP-UHFFFAOYSA-N 395.484 3.604 0 40 GHAB CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1OC 13568945 NALMKXGQYHLFHL-LLVKDONJSA-N 389.506 3.549 0 40 GHAB Cc1cccc(N(Cc2ccc(C(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1 13683082 VQKSLRDVRDXOJG-UHFFFAOYSA-N 386.517 3.587 0 40 GHAB O=C(c1cc2ccccc2oc1=O)N1CCC(CCc2ccc(O)cc2)CC1 14077206 ZQQXYEBKAFSHSP-UHFFFAOYSA-N 377.440 3.984 0 40 GHAB O=C(CN1CCOCC1)Nc1cccc(-c2nc(-c3ccccc3)cs2)c1 14185329 LKZGRGOJWCANPX-UHFFFAOYSA-N 379.485 3.748 0 40 GHAB COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@H]3N(C)CC2 14645567 SXGHNTVPXYHQSN-CQSZACIVSA-N 385.460 3.569 0 40 GHAB biogenic,in-vitro O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCCC2=O)cc1 15007926 DRWQOCQYIAFUIX-UHFFFAOYSA-N 377.213 3.967 0 40 GHAB COc1ccc(Cc2c(Cl)nc(SC)nc2NCCCN(C)C)cc1 15566337 GTVYUNDRXDKTPN-UHFFFAOYSA-N 380.945 3.815 0 40 GHAB CC(=O)Nc1cccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)c1 16136109 ZOFSGGGUEHXQOT-FQEVSTJZSA-N 382.460 3.766 0 40 GHAB Cc1ccc(-n2nc(C)c(NS(=O)(=O)c3cccc4nsnc34)c2C)cc1 19079811 NACFOCHUCHINRD-UHFFFAOYSA-N 399.501 3.603 0 40 GHAB CCCc1ncc(CN2CCCC[C@H]3CN(C(=O)c4cccs4)C[C@H]32)cn1 19525759 UVARKTNCTPNRAF-ZWKOTPCHSA-N 384.549 3.617 0 40 GHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cccnc2)C1 19591624 YMQRWJLIZLCFSH-RUZDIDTESA-N 399.494 3.570 0 40 GHAB CC(C)n1c([C@@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)nc2ccccc21 19717319 NRENTXPXDGORLK-QGZVFWFLSA-N 392.503 3.945 0 40 GHAB Cc1ccc(Cn2c(=N)n(C[C@H](O)COc3ccccc3)c3ccccc32)cc1 19854771 QFXRDIRBBPLBCV-FQEVSTJZSA-N 387.483 3.719 0 40 GHAB CC[C@H](NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc(C)cc1 20112660 YLVJGPYTWVZIBB-IBGZPJMESA-N 388.533 3.645 0 40 GHAB Cc1cccc(OCc2nc3c4c5c(sc4ncn3n2)CN(C)CC5)c1C 20567068 DASWBBVQBPPIFK-UHFFFAOYSA-N 379.489 3.523 0 40 GHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)c1 21595816 NAGXIVKPNXUIFP-UHFFFAOYSA-N 381.457 3.687 0 40 GHAB COc1ccc(C2(CNC(=O)C(=O)Nc3cccc(SC)c3)CCCC2)cc1 21691524 BBXFQAIXVYNJTC-UHFFFAOYSA-N 398.528 3.984 0 40 GHAB CC(C)=CC(=O)OCC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O 21735174 CXHVBMSXVNITMQ-HXUWFJFHSA-N 377.868 3.646 0 40 GHAB CCCc1cc(C(=O)OCC(=O)c2ccc(CCNC(C)=O)s2)sc1C 21761343 HEPJXUKQHWCPNQ-UHFFFAOYSA-N 393.530 3.789 0 40 GHAB COCCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(C)cc1 21782782 UWJFYTGSERXEHU-JOCHJYFZSA-N 391.471 3.981 0 40 GHAB Cc1cccc2c(=O)n(CCCC(=O)Nc3ccccc3N3CCCC3)cnc12 21974261 OWVSWEWKOXEVSU-UHFFFAOYSA-N 390.487 3.724 0 40 GHAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(N2CCCS2(=O)=O)c1 22278958 VAIKTNHHNAEWMS-KRWDZBQOSA-N 386.517 3.667 0 40 GHAB COc1cc(Cl)c(C)cc1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 26686146 LXYSIXWUCHYWPG-UHFFFAOYSA-N 385.851 3.855 0 40 GHAB COc1ccc(CCNC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 27459867 MZDJIWDEQHTNPK-UHFFFAOYSA-N 396.512 3.941 0 40 GHAB NC(=O)N[C@H](CC(=O)NCCCSc1ccccc1)c1ccccc1Cl 29980730 WREMFACFZWKMOV-QGZVFWFLSA-N 391.924 3.738 0 40 GHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2c(F)cccc2Cl)nn1 32074148 AXEHGHOMUHBORQ-JTQLQIEISA-N 387.802 3.895 0 40 GHAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1nn(Cc2ccccc2F)cc1Cl 32610011 FJOPBXAUYGSMRZ-STQMWFEESA-N 379.819 3.553 0 40 GHAB C[C@@H](CCc1ccccc1)NC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 32802422 QALCKPJLVVLTNT-JXFKEZNVSA-N 380.467 3.969 0 40 GHAB O=C(Cc1csc(COc2ccccc2)n1)Nc1ccc2c(c1)OCCO2 33326316 AHWDLGNBLOJYFB-UHFFFAOYSA-N 382.441 3.675 0 40 GHAB Cc1ccc(S(=O)(=O)c2ccc(CN(C[C@@H]3CCOC3)C3CC3)cc2)cc1 40154182 KWOSWERKBMBQJO-IBGZPJMESA-N 385.529 3.829 0 40 GHAB Nc1c(Cl)cc(NC(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1Cl 41819012 QFPUNWXONQSKBE-VOTSOKGWSA-N 388.258 3.867 0 40 GHAB Cc1cc(C(=O)NCC2CCN(C(=O)c3cc4ccccc4o3)CC2)c(C)o1 43989846 IBFZGRFLDGHCMS-UHFFFAOYSA-N 380.444 3.925 0 40 GHAB C[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 44372607 WXNIWUHAPFDWFP-LSDHHAIUSA-N 377.531 3.589 0 40 GHAB CN(C(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)c1ccccc1 44849617 MSTITDQZBHBZJW-UHFFFAOYSA-N 396.443 3.664 0 40 GHAB O=C(Cc1ccccc1)Nc1cc(NC(=O)NCc2ccccn2)ccc1F 47627677 NPCBANDVEOMBTJ-UHFFFAOYSA-N 378.407 3.724 0 40 GHAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NCc1ccccc1Cn1cccn1 47794967 RCEPKJFNLVMWPO-UHFFFAOYSA-N 377.492 3.690 0 40 GHAB COc1cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc(OC)c1OC 48245779 BEMDBIZBHHCPPH-CYBMUJFWSA-N 393.867 3.758 0 40 GHAB CC1(C)Cc2cccc(OCC(=O)Nc3cnc(-c4ccccc4)nc3)c2O1 48252404 UWRKDQZTFRCCTL-UHFFFAOYSA-N 375.428 3.875 0 40 GHAB Cc1nc(-c2c[nH]c(C(=O)N[C@@H](CN3CCCC3=O)c3ccccc3)c2)cs1 48956974 IKFZLMMQLKULNU-SFHVURJKSA-N 394.500 3.540 0 40 GHAB CC(C)(C)c1noc(-c2ccc(-n3cnc(C(=O)N4CCCCCC4)c3)nc2)n1 49420788 AIEIGTLLVAJYGG-UHFFFAOYSA-N 394.479 3.631 0 40 GHAB CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCCC1CCCC1 51342566 QMEJWMLGJBHXAS-FQEVSTJZSA-N 399.560 3.783 0 40 GHAB Cc1ccc(Sc2ncccc2C(=O)NCc2nnc3n2CCCC3)cc1C 53902950 UJUCCPCRRMZGSB-UHFFFAOYSA-N 393.516 3.707 0 40 GHAB COc1ccc(CCC(=O)O[C@H](Cn2cncn2)c2ccc(Cl)cc2)cc1 54214580 IXGFTPCLGYQKEM-LJQANCHMSA-N 385.851 3.857 0 40 GHAB CCN1CCN(C(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)CC1 57134879 RQSIOOQZNXJXKU-UHFFFAOYSA-N 375.472 3.688 0 40 GHAB O=C(NCCSCc1cccs1)Nc1cccc(N2CCOC2=O)c1 58217107 VDUGACFYFXENNR-UHFFFAOYSA-N 377.491 3.760 0 40 GHAB CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 58223948 CUGPNELOUIZZGZ-SNVBAGLBSA-N 396.331 3.665 0 40 GHAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCCc1cccc2cccnc12 58247118 QNOHGAXMQGGQEO-UHFFFAOYSA-N 394.418 3.916 0 40 GHAB CS(=O)(=O)c1ccc(-c2csc(-c3cccc(-c4nnc(N)o4)c3)n2)cc1 58365825 UDWYGEBQXNTFHW-UHFFFAOYSA-N 398.469 3.513 0 40 GHAB C[C@@H](O)[C@H](C(=O)OCc1ccccc1)N(C(=O)OCc1ccccc1)C(C)(C)C 64219747 QXZHJBDBAWLKNX-YLJYHZDGSA-N 399.487 3.917 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3 64814474 XNGOVZLANKNNPM-RYUDHWBXSA-N 397.397 3.616 0 40 GHAB CC[C@H]1CCCCN1C(=O)Cn1c(Nc2cc(C)cc(C)c2)nc(C)cc1=O 67246356 PCAXRWMLRYTKFG-IBGZPJMESA-N 382.508 3.703 0 40 GHAB O=C(CSc1ncnc2c(-c3ccc(F)cc3)c[nH]c12)NCc1ccco1 71328183 ORYHKPIUHFXOGI-UHFFFAOYSA-N 382.420 3.766 0 40 GHAB O=C(CCCCc1nc2ccccc2s1)N1CCC(C(=O)N2CCCC2)CC1 72296385 PKPCQLBYEPIMAV-UHFFFAOYSA-N 399.560 3.870 0 40 GHAB COC(=O)C(C)(C)C(C)(C)NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 72301353 ZYEPQBKCKFFPGM-LLVKDONJSA-N 375.387 3.567 0 40 GHAB CC[C@H](Nc1nc(N(C)C)cc(C(F)(F)F)n1)[C@H](O)c1c(F)cccc1F 72302501 LLXGUGGULLSWHV-NHYWBVRUSA-N 390.356 3.764 0 40 GHAB COc1cccc2c1ccn2CCNC(=O)c1sc(-n2cccc2)nc1C 72402649 GFYUXVYTRRDDKV-UHFFFAOYSA-N 380.473 3.636 0 40 GHAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)[C@@H]2COc3ccccc3O2)C1 77200192 WXLLVNYBSGRUEV-ZWOKBUDYSA-N 396.443 3.503 0 40 GHAB COC(=O)[C@@H](CCSC)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344297 CIOHGOMOEGKMHB-HZSPNIEDSA-N 376.305 3.508 0 40 GHAB O=C(NC[C@H]1CCCN(CCCN2CCCCC2)C1)Nc1cccc(F)c1 84372621 AEJXMCBETMYRDC-GOSISDBHSA-N 376.520 3.535 0 40 GHAB O=c1[nH]cccc1[C@@H]1SCC(O)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 95477806 ZQGVAPSUSDPRAT-INIZCTEOSA-N 388.493 3.574 0 40 GHAB Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CCN(C(=O)CCC(C)C)C1 96080423 RVVHXSIBNCSSJX-QHCPKHFHSA-N 379.504 3.889 0 40 GHAB CC(C)CCN1CCc2cc(C(=O)N3CCCC3)c(NCC3CC3)nc2CC1 96260618 ZFVJWMHPGWRKTQ-UHFFFAOYSA-N 384.568 3.586 0 40 GHAB CC(C)C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102020653 CMRQGHRWOKPBJA-VBQJREDUSA-N 392.858 3.784 0 40 GHAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)CCC[C@H]1C 102241434 GGXAALFNHOXMQN-VYDXJSESSA-N 398.459 3.630 0 40 GHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(C)c2)CC1 107756473 DCEMJHNOEPIHQF-UHFFFAOYSA-N 385.895 3.959 0 40 GHAB CC[C@H](NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1 113934489 CPHUXYMETQZDSP-FQEVSTJZSA-N 388.533 3.645 0 40 GHAB O=C(c1cccc(-n2cnnn2)c1)N1CCS[C@@H](c2ccccc2Cl)CC1 211145644 SHPZZRVOKHVHGO-GOSISDBHSA-N 399.907 3.636 0 40 GHAB C[C@H](Nc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)O)c1ccccc1 217576262 WITDAHOBQHQKGG-AWEZNQCLSA-N 388.489 3.779 0 40 GHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 222821907 BECBDYUNGZROBK-VQTJNVASSA-N 377.517 3.707 0 40 GHAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 223090562 XXAUHSOOVWQKJG-PMACEKPBSA-N 384.549 3.835 0 40 GHAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 223960503 ZXNXOCSACVOOLK-RBUKOAKNSA-N 377.473 3.545 0 40 GHAB CCc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 224527329 NDWLQWHLXNVVQZ-UHFFFAOYSA-N 380.532 3.965 0 40 GHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 225070618 ZDNPHQFOEBFZJT-KRWDZBQOSA-N 386.923 3.869 0 40 GHAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1C 225468198 WWIXRWRJZQFGPP-IBGZPJMESA-N 382.504 3.624 0 40 GHAB CS(=O)(=O)c1ccc(CCC(=O)NCC2(c3cccs3)CCCC2)cc1 225616671 OEHDUDLSNWHVIA-UHFFFAOYSA-N 391.558 3.712 0 40 GHAB CCc1cccc(CC)c1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 225803609 WYIRGXNKCNRRBP-UHFFFAOYSA-N 388.533 3.520 0 40 GHAB O=C(c1csc(-c2ccccc2)n1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238830244 FSXPSZPRSVUEKJ-LLVKDONJSA-N 394.378 3.842 0 40 GHAB C[C@@]12C[C@H]3CN[C@@H]1CCCC[C@@H]2N3C(=O)c1cncc(Cc2cccc(F)c2)c1 257210323 BUBYJMKKHFLERR-HYVLGVRCSA-N 393.506 3.947 0 40 GHAB Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257253776 KAGIHOBPNHNMHR-KRWDZBQOSA-N 381.476 3.902 0 40 GHAB O=C(c1cccc(O)n1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257298592 RMJYNUZJQJRFHX-KRWDZBQOSA-N 383.835 3.997 0 40 GHAB Cc1cccc(C(=O)N2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c1 306133947 NABZDMIHUIFOHY-NRFANRHFSA-N 379.485 3.735 0 40 GHAB CC(C)CNC(=O)c1ccc2c(c1)C1(CCO2)CCN(Cc2ccncc2)CC1 306134546 NRBWXVWUGCIAMM-UHFFFAOYSA-N 393.531 3.784 0 40 GHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2CN(Cc3ccncc3)C[C@@H]21 306138395 RWKIDDQKGHFJSW-IRLDBZIGSA-N 394.471 3.643 0 40 GHAB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(OC)c1OC 409005540 FQUXWSQCKRGPST-AQTBWJFISA-N 399.468 3.991 0 40 GHAB C[C@H](CN(C)C(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F)c1nccs1 544328749 PVDUCYGRZUWPOZ-SNVBAGLBSA-N 398.410 3.636 0 40 GHAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575613042 NXXDRDTWCYUKNX-INIZCTEOSA-N 386.814 3.558 0 40 GHAB COc1ccc2c(c1)OC[C@@H](C(=O)NCc1ccccc1OC1CCCC1)C2 622528061 CETSATGVVJIRAJ-SFHVURJKSA-N 381.472 3.884 0 40 GHAB Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N[C@H]2CC(C)(C)CCc3ccccc32)n1 623996334 BQJJIVONYXWSOM-OKZBNKHCSA-N 384.480 3.611 0 40 GHAB COc1ccccc1Oc1ccc(CNC(=O)N2C[C@@H](C)[C@](C)(CO)C2)cc1 664072630 RTTIEGXLWOQGIB-ZHRRBRCNSA-N 384.476 3.647 0 40 GHAB Cc1cccc(Cl)c1S(=O)(=O)NC[C@H](O)c1cccc2ccccc12 1192394768 GCTLTHUSYLQAAK-SFHVURJKSA-N 375.877 3.814 0 40 GHAB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)N1CCc2nc[nH]c2C1 1565524690 SMMXKOIVLVHNIP-AWEZNQCLSA-N 394.302 3.813 0 40 GHAB COc1ncccc1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615157914 OQTCSQXWSYDFBR-QFIPXVFZSA-N 383.467 3.893 0 40 GHAB CC(C)(C)C(=O)N1CCC[C@H](Cc2cnc(-c3ccc(C(=O)O)cc3)cn2)C1 1848356862 WEONPTYPOMZANR-OAHLLOKOSA-N 381.476 3.669 0 40 GHAB CCc1ncnc(N2CCCN(c3nc4c(F)cc(F)cc4s3)CC2)c1F 1888913132 VSVHMRQFXGNMFI-UHFFFAOYSA-N 393.438 3.783 0 40 GHAB COC(=O)c1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1 725767 DFIYAIFKTRZGAD-OQLLNIDSSA-N 386.201 3.580 0 40 GHAB O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NC1CCCCC1 1381461 KUMMSTAAOUDABN-UHFFFAOYSA-N 382.555 3.598 0 40 GHAB CCOC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1-c1ccccc1 2235414 HZZSHPORXCTOGR-UHFFFAOYSA-N 383.473 3.522 0 40 GHAB COc1cccc(CNc2nnnn2C)c1OCc1ccc(Cl)cc1Cl 2435655 KOQXXAFXWRLZNS-UHFFFAOYSA-N 394.262 3.717 0 40 GHAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1=O 2648055 DJPKGPSYUDELTN-INIZCTEOSA-N 391.537 3.545 0 40 GHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1nc(-c2ccc(F)cc2)no1 2733193 KRBQRZDKDOQKFY-UHFFFAOYSA-N 391.406 3.608 0 40 GHAB COc1ccccc1N1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 3164586 GKFFRHGRGKBXHF-UHFFFAOYSA-N 380.517 3.905 0 40 GHAB Cc1ccc(C(=O)NCC(=O)OCCCC(=O)Nc2c(C)cccc2C)cc1C 3285481 SCAVISUTANCELR-UHFFFAOYSA-N 396.487 3.612 0 40 GHAB O=C(COC(=O)c1ccc(F)cc1F)NCCc1ccc(Cl)cc1Cl 3314307 CNPPRYHJXYTCAH-UHFFFAOYSA-N 388.197 3.787 0 40 GHAB CCc1cccc(OC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c1 3331887 UCFQXQSZDZPPLC-UHFFFAOYSA-N 392.432 3.845 0 40 GHAB CCOC(=O)COc1ccc2oc(=O)c(-c3ccc(OC)c(OC)c3)c(C)c2c1 4340681 KTZLVGFBMMXNHV-UHFFFAOYSA-N 398.411 3.728 0 40 GHAB biogenic COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@@H]3c4ccccc4OC(=O)[C@@H]32)cc1 4594572 RNGXRKMCDCIEIL-PMPSAXMXSA-N 397.477 3.959 0 40 GHAB CC[C@](C)(C(=O)Nc1ccccc1C)N(C(=O)CNC(C)=O)c1ccccc1C 4675771 IPKVNOXNTQYMMF-HSZRJFAPSA-N 395.503 3.580 0 40 GHAB Nc1c(C(=O)N2CCCCCC2)sc2nc3cc4c(cc3cc12)OCCO4 4848856 MMFHKXISKNXRTR-UHFFFAOYSA-N 383.473 3.819 0 40 GHAB CC[C@@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NC1CCCC1)c1ccccc1 4965187 PNDBDNBDPNMQEK-KDOFPFPSSA-N 386.521 3.579 0 40 GHAB COc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)c1 4965639 WTPGPDCZFKGANR-OAHLLOKOSA-N 383.448 3.586 0 40 GHAB CCCOC(=O)c1c(N)n(-c2ccccc2OC)c2nc3ccccc3nc12 5164786 JTFPPRBVBPMVAX-UHFFFAOYSA-N 376.416 3.731 0 40 GHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1C 5326260 VNAKUHKSAKMVOJ-UHFFFAOYSA-N 387.476 3.751 0 40 GHAB Cc1c(Cl)cccc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 5578157 PLEKPJFHLDHLEO-UHFFFAOYSA-N 398.937 3.749 0 40 GHAB O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1cc(F)ccc1F 6084634 AEMXZRKARLZVQX-UHFFFAOYSA-N 396.393 3.912 0 40 GHAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(Br)cc1 6310188 JGTPWOMBKRVDOD-INIZCTEOSA-N 377.282 3.999 0 40 GHAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccnc1 6356091 KQOUYKOZKLBWEB-OVMKCGGTSA-N 385.265 3.950 0 40 GHAB Cc1ccc(-n2nnc(-c3nsc(NC(=O)c4cccc(C)c4)n3)c2C)cc1 6914734 KFOLYZFLDMKRFJ-UHFFFAOYSA-N 390.472 3.963 0 40 GHAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCCC1 6960726 OEKWKMGPGYCKMA-QGOAFFKASA-N 392.455 3.579 0 40 GHAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN(c2cccc(Cl)c2)CC1 7359305 KYYSDPZKEMBCSV-INIZCTEOSA-N 389.902 3.648 0 40 GHAB CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1 7610622 NGWWSUAGSGXQFS-UHFFFAOYSA-N 395.503 3.505 0 40 GHAB CSc1ncccc1C(=O)OCC(=O)N1CC[C@@H](C)Sc2ccccc21 7657258 AVAIWZXEZJZTKG-CYBMUJFWSA-N 388.514 3.878 0 40 GHAB CCOc1c(Br)cc(Br)cc1CNCCCN(C)C 8253307 KGBXJXFEEVGOCW-UHFFFAOYSA-N 394.151 3.652 0 40 GHAB O=C(NCCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1)c1ccco1 8429326 PDZLWNMNDWGYQU-HNNXBMFYSA-N 383.473 3.763 0 40 GHAB CC(C)COC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 8816049 ZHPJWESWDHKUJX-MAUKXSAKSA-N 396.443 3.752 0 40 GHAB COc1ccc(CNc2nnc(S[C@H](C)C(=O)NC(C)(C)C)s2)cc1 8936275 RPENUFLDMISRMD-LLVKDONJSA-N 380.539 3.554 0 40 GHAB Cc1ccc(NC(=O)COCC(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 9095082 NHUWGBIIXZDYNL-INIZCTEOSA-N 388.895 3.741 0 40 GHAB COC(=O)CSc1nc2ccccc2c2nc(-c3ccc(Cl)cc3)nn12 9483039 MGCYKSOOKYQYIN-UHFFFAOYSA-N 384.848 3.863 0 40 GHAB Cc1c(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)sc2ccccc12 9609993 GPKNHNMKIDGABN-JOCHJYFZSA-N 390.464 3.786 0 40 GHAB COc1ccc2nc(-c3cccc(NC(=O)c4c(F)cccc4F)c3)cn2n1 11693383 KOCCDCJRPALNHD-UHFFFAOYSA-N 380.354 3.935 0 40 GHAB Cc1ccc(NC(=O)c2cc(C(C)C)n([C@H]3CCS(=O)(=O)C3)n2)cc1Cl 11997088 ACGGYTQOWGYNIC-AWEZNQCLSA-N 395.912 3.580 0 40 GHAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C(=O)C(C)C)CC3)C1)c1cccn1-2 12120939 SAWBJNPQHJEYQG-HSZRJFAPSA-N 395.503 3.544 0 40 GHAB CCN1CC[C@H](CCc2ccc(NC(=O)CCn3nc(C)nc3C)cc2)[C@@H](C)C1 12144923 SIBGQKKQPXOVLV-UWJYYQICSA-N 397.567 3.834 0 40 GHAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)CC(C)(C)C)C[C@@H](C)O1 12240642 WYPQXRTVTDZDGK-INMHGKMJSA-N 388.556 3.656 0 40 GHAB Cc1ccc(Cl)c2sc(N(CCCN(C)C)C(=O)c3ccno3)nc12 12443817 IEYCGIYBZVIXRL-UHFFFAOYSA-N 378.885 3.845 0 40 GHAB CCOc1ccccc1/C=C/C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12764213 WKWABVOZNZKKJE-IQGVVSCOSA-N 378.472 3.976 0 40 GHAB O=C(CNC(=O)c1cccc(Cl)c1)NCCCSc1ccc(F)cc1 12857169 NNDBDZOIDNRZCP-UHFFFAOYSA-N 380.872 3.508 0 40 GHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1F 13362465 WBGFOVCUJVPNRH-UHFFFAOYSA-N 397.733 3.997 0 40 GHAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccs2)C4)cc1 13634368 BJFFNSRSSNOCRS-CYBMUJFWSA-N 376.441 3.774 0 40 GHAB CCC(=O)N(c1nnc(SCc2ccc(-n3cccn3)cc2)s1)C1CC1 14242470 DMTLTLWOGMKVHM-UHFFFAOYSA-N 385.518 3.922 0 40 GHAB COc1ccc2c(c1)C(=O)N(Cc1ccccc1)C(=O)/C2=C\N1CCCCC1 14543854 OLMMYYOLZFCDAV-PGMHBOJBSA-N 376.456 3.705 0 40 GHAB CCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)C[C@@H](c1ccco1)C3 14607790 YUVHPQCMXBCWHO-ZDUSSCGKSA-N 388.427 3.868 0 40 GHAB CCC(=O)N1N=C(c2ccc(OC)cc2)Sc2c1nc(CC)n2C(=O)CC 16777653 QQQKECAYSDFYCZ-UHFFFAOYSA-N 386.477 3.715 0 40 GHAB CCOc1cc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc(OCC)c1OCC 17307108 XASZTIGHVWFTCZ-UHFFFAOYSA-N 384.432 3.630 0 40 GHAB O=C(c1ccncc1)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 19405749 TXQGNPYPSRXMBS-UHFFFAOYSA-N 385.471 3.831 0 40 GHAB CCCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCC2)CC1 19502158 RIMQNQBIBZQPSS-OAQYLSRUSA-N 382.556 3.513 0 40 GHAB CN(C)c1ncccc1CN1CCO[C@@H](c2ccc(Cc3ccccc3)cn2)C1 19692308 GIBLFMSTAWGHOH-HSZRJFAPSA-N 388.515 3.707 0 40 GHAB COc1ccccc1NC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 19924940 VMWKJTQQYFKUEY-UHFFFAOYSA-N 394.397 3.853 0 40 GHAB CC(C)Oc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 20043859 LZVWEOYLCGBLRP-UHFFFAOYSA-N 382.869 3.751 0 40 GHAB Cc1c(C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cnn1C 21603571 RYOFBENTBOVWHG-SFHVURJKSA-N 391.471 3.503 0 40 GHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(Cl)ccc2Cl)c1 22328947 OPEULJSXBLTFCF-UHFFFAOYSA-N 378.259 3.945 0 40 GHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)NC3CCCCC3)cc21 22504062 YSYYZCDPSCYKFK-UHFFFAOYSA-N 379.526 3.633 0 40 GHAB O=C(/C=C/c1ccccc1)N(CCN1CCOCC1)c1nc2ccccc2s1 22998141 OOACQCJGLHWNKH-ZHACJKMWSA-N 393.512 3.675 0 40 GHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1C 23732317 IAGIOQLCGKQLEA-UHFFFAOYSA-N 391.874 3.585 0 40 GHAB CCOc1ccc(-c2noc(CCC(=O)N(Cc3ccco3)C3CC3)n2)cc1 30248589 VADXXRAMSQQDHY-UHFFFAOYSA-N 381.432 3.852 0 40 GHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1ccccc1OCC(C)C)CC(O)=N2 31819597 ODNMZHUGUYCHMJ-HNNXBMFYSA-N 393.447 3.835 0 40 GHAB COc1cc2c(cc1OC)CN(C(=O)Cn1ccc3cc(Cl)ccc31)CC2 32123921 ILIHICOMWUVSKG-UHFFFAOYSA-N 384.863 3.897 0 40 GHAB biogenic CCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)O 32601583 WCCFMNKGTMRGCP-UHFFFAOYSA-N 383.853 3.936 0 40 GHAB Cc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(C)cc2)cc1 32640772 CGWXHLXILQKEOV-RBUKOAKNSA-N 386.542 3.578 0 40 GHAB CC(C)[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 32768967 HCCHJAMSBPERGN-WOJBJXKFSA-N 377.550 3.982 0 40 GHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)CCC(=O)c1cccs1 32912116 YKPCPNNYFFMADF-UHFFFAOYSA-N 381.501 3.954 0 40 GHAB CSc1ccc(C(=O)CCC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 33024116 WJFJUHTYMGMYOF-MRXNPFEDSA-N 385.485 3.670 0 40 GHAB COc1ccc(-n2nnnc2C2(Nc3ccc(C)cc3)CCCC2)cc1OC 35622286 RBWNYVIOWCATKB-UHFFFAOYSA-N 379.464 3.869 0 40 GHAB O=c1nc2n(c3[nH]ncc13)[C@H](c1ccccc1)[C@@H](Sc1ccccc1)CS2 35682023 JEGQPVLJDSGCKY-DLBZAZTESA-N 392.509 3.976 0 40 GHAB COc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 36724127 RZALIKBPYAOKAP-INIZCTEOSA-N 384.501 3.588 0 40 GHAB O=C(c1ccccc1I)N1CC[C@@H](c2ccccc2)C1 38567305 VNIUVUVBIGPHLZ-CQSZACIVSA-N 377.225 3.921 0 40 GHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)c(N2CCCC2=O)c1 38697118 COLZMMLFMMNNIB-UHFFFAOYSA-N 394.880 3.585 0 40 GHAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1nc2c(s1)CCCCC2 40034666 ALSCWEOJVXLMLL-UHFFFAOYSA-N 394.456 3.507 0 40 GHAB C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1cccc(C(=O)N2CCCC2)c1 40104788 BYYDLBZQDLMSIU-MRXNPFEDSA-N 381.476 3.771 0 40 GHAB COc1ccc(C(=O)NCCCCN2CCCC[C@H]2C)cc1Br 46989456 OZRZSIWZCPPGTR-CQSZACIVSA-N 383.330 3.842 0 40 GHAB CSc1nccn1-c1ccc(C(=O)NC[C@H](C)N(C)c2ccccc2)cc1 48237343 CIAFOYSZXVTVNT-INIZCTEOSA-N 380.517 3.849 0 40 GHAB O=C(CN1CCN(c2cccc(Cl)c2)C1=O)Nc1cccc(OC(F)F)c1 49026236 BXDGPKWVKXFTGM-UHFFFAOYSA-N 395.793 3.822 0 40 GHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)c2)n1 49302413 CDUPZLQHXGUTOF-SFHVURJKSA-N 395.846 3.595 0 40 GHAB O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1cccc(O)c1 54360731 UJPDVLNFWSZVBJ-YBEGLDIGSA-N 386.404 3.596 0 40 GHAB O=C(CNc1ccc(-n2cccn2)c(F)c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 55879943 PXQNUXOWVLVSRU-JSGCOSHPSA-N 384.377 3.661 0 40 GHAB CC(C)CN1CCC(NC(=O)NCc2ccc(Br)c(F)c2)CC1 58407613 FCDAHDZBFIGJSR-UHFFFAOYSA-N 386.309 3.508 0 40 GHAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 61398527 UNRKVMGRDCPZNE-HNNXBMFYSA-N 398.937 3.923 0 40 GHAB CCOC(=O)c1csc(-c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)n1 61997378 YDVKBVBMRXQLFW-UHFFFAOYSA-N 392.436 3.783 0 40 GHAB O=C(N[C@H]1C[C@H]1c1ccccc1)c1nn(-c2ccccc2C(F)(F)F)cc1O 63108169 XUEBPBYVLKEAPJ-ZFWWWQNUSA-N 387.361 3.883 0 40 GHAB Cc1ccc(Nc2ccccc2C(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 69745847 CBZXVRNKWOFFRM-HXUWFJFHSA-N 393.531 3.923 0 40 GHAB CCOC(=O)N[C@H](CNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1)CC(C)C 69923198 GGLBXTBQCYVLJO-HNNXBMFYSA-N 380.533 3.652 0 40 GHAB O=C(OCc1ccc(Cl)nc1)[C@@H]1CCCCN1Cc1ccc(Cl)nc1 72203331 PUKAFVDAHGVGOK-HNNXBMFYSA-N 380.275 3.881 0 40 GHAB N[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Br)cc1 72227510 XLAHFWOGFNHAKF-UONOGXRCSA-N 385.183 3.883 0 40 GHAB O=C(Cn1ccc(=O)c2cccc(OC(F)(F)F)c21)Nc1ccc(F)c(F)c1 72277249 NHGGQLQGJNRPJZ-UHFFFAOYSA-N 398.287 3.817 0 40 GHAB CCCOc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(OC)c(OC)c2)cc1 72329267 UEYXPUCNLWAMSS-UHFFFAOYSA-N 395.459 3.813 0 40 GHAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(CC3CCCCC3)C2)cc1 72346046 VWKWOVQMKZPUOL-LJQANCHMSA-N 393.535 3.584 0 40 GHAB Cc1cc(Nc2ccccn2)cc([C@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 72374950 SGJTULPHFFZGOV-KRWDZBQOSA-N 390.491 3.590 0 40 GHAB Cc1cc(Oc2ccccc2C)nc([C@H]2CCCN2C(=O)c2cnccn2)n1 72383780 QYEGZYCCDYFDHK-QGZVFWFLSA-N 375.432 3.653 0 40 GHAB O=C(c1csc(-c2ccccc2)n1)N1CCCSC[C@H]1CN1CCCC1 90608999 RSOXGENOKHLSJX-QGZVFWFLSA-N 387.574 3.854 0 40 GHAB Cc1nn(CC(=O)Nc2ccc3c(c2)C(O)=Nc2cccnc2O3)c(C)c1Cl 95476090 MXMBBCZYVRZUSU-UHFFFAOYSA-N 397.822 3.929 0 40 GHAB COc1cccc(-c2nc(C)c(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)s2)c1 95479204 IMVLQSOULXYVFT-IIBYNOLFSA-N 386.517 3.894 0 40 GHAB Cc1ccccc1CN1C[C@@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 96111842 ASNFIYLBYNMLAM-GMAHTHKFSA-N 399.494 3.959 0 40 GHAB biogenic,in-vitro COC(=O)C[C@H](c1oc(CSc2ccc(OC)cc2)cc(=O)c1O)C(C)C 96115582 TXVHIGVWHWOCRQ-INIZCTEOSA-N 392.473 3.949 0 40 GHAB biogenic CCNC1=CC2=Nc3cc(NCC)c(NCC)cc3N(CC)[C@@H]2C=C1NCC 100643750 QEEUNSVZWHMOFB-OAQYLSRUSA-N 382.556 3.832 0 40 GHAB CCCCC(C)(C)[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 167059714 ZEMOZGYCFBTCMC-FYDFHPFUSA-N 380.525 3.887 0 40 GHAB COc1cc(OC)cc(OCC(=O)NCCSCc2cccc(Cl)c2)c1 218887629 WJJICDGMPJNJPW-UHFFFAOYSA-N 395.908 3.786 0 40 GHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 222908945 WONLZGWCKMMDFA-WOJBJXKFSA-N 377.517 3.896 0 40 GHAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1 223415560 CNDQLYOZLFZOCE-SFTDATJTSA-N 392.528 3.910 0 40 GHAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Cl 223890574 BZCTZHIGDJVYSS-LBPRGKRZSA-N 381.881 3.633 0 40 GHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(F)cc2)c1 225306622 QENHYGPZLKLAGM-MOSHPQCFSA-N 378.403 3.814 0 40 GHAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N1CCN(Cc2ccccc2)CC1 225795873 IJBHMYCDXGXHTC-UHFFFAOYSA-N 390.462 3.549 0 40 GHAB C[C@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NC3CCCC3)n2)C1 226006956 URWUSBYDJBLWCC-NSHDSACASA-N 387.475 3.961 0 40 GHAB Cc1ccc(OCC(=O)Nc2cc(Cl)c3nc(NN)sc3c2)c(C)c1 226313115 AFRCUFCAWDCQFS-UHFFFAOYSA-N 376.869 3.870 0 40 GHAB COc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H](c3nc(C)no3)C2)cc1F 252489522 JSJPAFIVECACKE-SJORKVTESA-N 381.407 3.549 0 40 GHAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccc(Cc2ccc(F)cc2)nc1 257221227 DOAZPNANGNAOEI-HYVLGVRCSA-N 393.506 3.899 0 40 GHAB Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CN(Cc3cn(C)nc3C)CCO2)n1 257261463 LHKMIKUNXIKRGZ-IBGZPJMESA-N 398.536 3.514 0 40 GHAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1)Oc1ccccc1 408999756 RSRFPJXYNZKMQJ-QFIPXVFZSA-N 388.467 3.745 0 40 GHAB NC(=O)c1cccc(CS[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 502827703 OYRCMUFEWCDVGN-LJQANCHMSA-N 395.459 3.933 0 40 GHAB C[C@H]1C[C@@H](N2CCCC2)CN1CC(=O)N(Cc1ccccc1)c1ccccc1 512182005 CSUVLRWWZVLYNX-NZQKXSOJSA-N 377.532 3.778 0 40 GHAB CC[C@@H](NC(=O)N1Cc2ccc(OC)cc2C2(CC2)C1)c1c(C)nn(C)c1C 570374028 KIJXKSQFYDISRJ-LJQANCHMSA-N 382.508 3.754 0 40 GHAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H](Oc2ccncc2)C1 575613572 RZIAZMUJJODGST-AWEZNQCLSA-N 387.288 3.621 0 40 GHAB O=C(Cn1cc(-c2ccc(F)cc2)cn1)NCc1nccnc1-c1cccs1 575621463 XZVFMLKEFDWCGO-UHFFFAOYSA-N 393.447 3.524 0 40 GHAB Cc1sc(C(=O)O)cc1CN1C[C@H](COc2ccccc2)OC(C)(C)C1 578524820 SPPJBKJUDXHNLU-QGZVFWFLSA-N 375.490 3.813 0 40 GHAB COc1ccc(CNC(=O)N2C[C@@H](C)OC3(CCCCC3)C2)cc1OC(F)F 654371862 XOJHHVRLBYLTBR-CQSZACIVSA-N 398.450 3.930 0 40 GHAB Cc1cc2nc(-c3ccc(CNC(=O)[C@@H]4CCc5nccn5C4)cc3)[nH]c2cc1C 682509030 ANJWOMOETNBCSS-LJQANCHMSA-N 399.498 3.922 0 40 GHAB O=C(NCc1cc2c(nc1O)CCCC2)[C@H](OC1CCCC1)c1ccccc1 1152356308 ACYFVMCDQMSVDS-OAQYLSRUSA-N 380.488 3.983 0 40 GHAB COc1ccc2cc(S(=O)(=O)N3CCN(c4ccc(C)cc4)CC3)ccc2c1 1501054046 VFILNXXCZDGDKM-UHFFFAOYSA-N 396.512 3.668 0 40 GHAB COc1ccc(NC(=O)N2CCC[C@H](COc3cccc(C)n3)C2)c(OC)c1 1775970660 HJCNPQZQJNGNEH-INIZCTEOSA-N 385.464 3.730 0 40 GHAB Fc1ccc(-c2ccc(N3CCN(Cc4nc5c(s4)CCC5)CC3)nn2)cc1 1775974815 RIHWYWBKRIRWDH-UHFFFAOYSA-N 395.507 3.550 0 40 GHAB Cc1ccc2ccccc2c1NC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1 891659 JBIHRLBFWSHYFU-UHFFFAOYSA-N 386.459 3.506 0 40 GHAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N(CC)CC)cc2c1 893281 BLJFNZSBZWMBPV-HXUWFJFHSA-N 394.523 3.623 0 40 GHAB Cc1ccc(NC(=O)c2c(O)n(Cc3ccccc3)c3ccccc3c2=O)nc1 1299929 KWMRDZYQZZHQCP-UHFFFAOYSA-N 385.423 3.711 0 40 GHAB COc1ccc(C(=O)c2sc3nc4c(cc3c2N)N2CCC4CC2)cc1OC 1432661 XWDMLVAJGZYRDE-UHFFFAOYSA-N 395.484 3.824 0 40 GHAB CCCSc1nc(SCC(N)=O)c2c3c(sc2n1)COC(C)(C)C3 2233074 ZLDJAKQFKWAEGG-UHFFFAOYSA-N 383.564 3.622 0 40 GHAB CCCCc1nc2sc3c(NCCO)ncnc3c2c2c1COC(C)(C)C2 2275730 NJUHMGBJAGPJDP-UHFFFAOYSA-N 386.521 3.838 0 40 GHAB CCOP(=O)(OCC)[C@@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl 2300672 RMMLPCOKSMLRGK-SNVBAGLBSA-N 378.576 3.972 0 40 GHAB COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 2502037 ZLBLSQMWULVMDP-GOSISDBHSA-N 388.489 3.545 0 40 GHAB COc1cccc(/C=C/C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 2640107 QJDSFZNUVVVJJD-MDZDMXLPSA-N 396.468 3.629 0 40 GHAB COc1ccc([C@]2(O)CN(c3ccccc3C)C3=[N+]2CCCCC3)cc1OC 2974635 FBKXYDGDZWGCBU-HSZRJFAPSA-N 381.496 3.663 0 40 GHAB COC(=O)c1c(NC(=O)CSc2ncnc3ccccc23)sc2c1CCC2 3244812 IWDLULJHMVJSKN-UHFFFAOYSA-N 399.497 3.697 0 40 GHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3314336 ADXHAHDOHXGQCJ-HXUWFJFHSA-N 387.483 3.930 0 40 GHAB COc1ccc(Cn2c(=S)[nH]c3cc(OC)c(OC)cc3c2=N)cc1Cl 4054114 WZLWMTCWHWKIOI-UHFFFAOYSA-N 391.880 3.906 0 40 GHAB COc1ccc(C(=O)N(CC(=O)NC2CCCC2)C2CCCCC2)cc1OC 4161193 MUFVCENGZAOJLU-UHFFFAOYSA-N 388.508 3.538 0 40 GHAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)/C=C/c3ccccc3)co2)n1 4377300 MLQAACSZBFMCIB-CMDGGOBGSA-N 394.452 3.958 0 40 GHAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 5655290 TXFRKUKYKDTADV-IAGOWNOFSA-N 379.456 3.864 0 40 GHAB O=C1NC[C@@H](COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)O1 5859590 HHNBGBOTQRTHTI-AWEZNQCLSA-N 382.803 3.820 0 40 GHAB CCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1C)S2 6811776 MDXXYKRMPAUDMS-QZTJIDSGSA-N 379.489 3.547 0 40 GHAB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1CC(F)(F)F 6933308 IGXQTKXOMWVCBW-UHFFFAOYSA-N 379.338 3.979 0 40 GHAB CCc1ccc(OCC(=O)Nc2ccc(I)c(C)n2)cc1 6942870 ACBBBSONHGKTPV-UHFFFAOYSA-N 396.228 3.575 0 40 GHAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN(c2cccc(Cl)c2)CC1 7359308 KYYSDPZKEMBCSV-MRXNPFEDSA-N 389.902 3.648 0 40 GHAB O=C1CCc2cc(S(=O)(=O)Nc3ccccc3Cc3ccccc3)ccc2N1 7418820 XLDDVTRPHKJSAI-UHFFFAOYSA-N 392.480 3.963 0 40 GHAB COc1ccc([C@@H]2CCCN2CC(=O)NCc2ccccc2Cl)c(OC)c1 7719589 YCCAXQUNHAJKJU-IBGZPJMESA-N 388.895 3.811 0 40 GHAB C[C@H]1c2ccsc2CCN1C(=O)CNC(=O)Cc1cccc2ccccc12 7830018 BHAGLLYGKBHBAC-HNNXBMFYSA-N 378.497 3.706 0 40 GHAB CSc1ccccc1NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 8050716 KYZKNTKKRPLDJM-UHFFFAOYSA-N 392.546 3.902 0 40 GHAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H]2CCCO2)cc1 8133480 ZTGWFSREZBQBEH-HXUWFJFHSA-N 375.472 3.816 0 40 GHAB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C)c(C)c1 8417409 PMOXONJFHVRSMY-UHFFFAOYSA-N 398.459 3.603 0 40 GHAB O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N1CCCCC1 8704885 HLHIBUVFWATTTK-UHFFFAOYSA-N 389.499 3.584 0 40 GHAB COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 8769436 HIMABZVWYZLVPG-QGZVFWFLSA-N 377.444 3.980 0 40 GHAB O=C(CSc1nc(CC(=O)N2CCCCC2)cs1)Nc1ccc(F)cc1 8851745 QAALBJGJXPZCET-UHFFFAOYSA-N 393.509 3.568 0 40 GHAB COc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 8943034 FAZAMPMYFHHEJN-UHFFFAOYSA-N 399.450 3.774 0 40 GHAB COc1ccc2c(C)c(CC(=O)Nc3ccccc3Cl)c(=O)oc2c1OC 9302796 OTUOBGBVSDRDCY-UHFFFAOYSA-N 387.819 3.953 0 40 GHAB COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@H]3CC=NN23)cc1 9375976 TZGKNPWDQFVEFM-IFXJQAMLSA-N 394.500 3.867 0 40 GHAB c1ccc(-n2nnnc2CSc2nnc(-c3cccs3)n2C2CC2)cc1 9835646 WUTIWKOMFBBMJI-UHFFFAOYSA-N 381.490 3.610 0 40 GHAB Cc1cc(C(=O)NCCc2ccc(Br)s2)c2c(C)noc2n1 10502946 LVXQZEBIQAPCON-UHFFFAOYSA-N 380.267 3.636 0 40 GHAB NC(=O)Nc1cccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 10985815 VEJUZRJKYCZMJL-UHFFFAOYSA-N 381.461 3.639 0 40 GHAB C[C@@]1(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)CC(c2ccccc2)=NO1 12192955 AHJLOWBSKNSKIF-NRFANRHFSA-N 378.407 3.592 0 40 GHAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc3c(c2)C[C@H](C)O3)CC1 12293070 XYJJCAFVXLVZMO-INIZCTEOSA-N 382.479 3.777 0 40 GHAB Cc1cccc(-n2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2C)c1 12521957 IQVGVVLKNODMGY-UHFFFAOYSA-N 376.460 3.578 0 40 GHAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2C)ccc1Br 12544756 BVHJURQSLQMMTC-UHFFFAOYSA-N 384.251 3.565 0 40 GHAB CC(=O)Nc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)s1 12793549 QVGADXDFAPMKCY-LLVKDONJSA-N 378.523 3.647 0 40 GHAB Cc1ccc(C(=O)Nc2ccc(SCC(=O)NCc3cccs3)nn2)cc1 13701745 NAMNLYYYPROCMO-UHFFFAOYSA-N 398.513 3.507 0 40 GHAB Fc1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1Br 13721308 LSCVXZWYQVIGKE-UHFFFAOYSA-N 376.214 3.816 0 40 GHAB CC(C)[C@@H](NCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(Cl)cc1 14092749 NOHUAROYIRJVQC-HXUWFJFHSA-N 387.911 3.967 0 40 GHAB CC(C)c1noc2ncc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)cc12 14526457 OMVZYQCXTDRSAK-CQSZACIVSA-N 390.447 3.760 0 40 GHAB Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3CCCc3ccccc3)n2)cc1F 15674314 JEKOPMWARJCNOI-QUCCMNQESA-N 381.451 3.925 0 40 GHAB biogenic,in-vitro CC(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)Nc1ccc(C(C)C)cc1 15912049 UJTWAFWBSVBMLL-HNNXBMFYSA-N 378.476 3.996 0 40 GHAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 16369218 MIPFCQWELFNNLI-CQSZACIVSA-N 394.500 3.582 0 40 GHAB CCOC(=O)c1oc2ccccc2c1CN1C(=O)N[C@](C)(c2ccccc2)C1=O 16623649 ZHNAAWSIENEFSW-JOCHJYFZSA-N 392.411 3.577 0 40 GHAB COC(=O)c1ccc(C)c(-n2c(N)c(C(=O)N3CCCCC3)sc2=S)c1 17121460 AOZVXISWCLPIEO-UHFFFAOYSA-N 391.518 3.572 0 40 GHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(Cc1cncn1C)CC2 19291836 UEJFGOIHHBRKJA-JOCHJYFZSA-N 381.451 3.724 0 40 GHAB Clc1cccc(CN(CCN2CCOCC2)Cc2cccnc2)c1Cl 19292602 CNZZUZCFONKQAH-UHFFFAOYSA-N 380.319 3.723 0 40 GHAB Cc1c(-c2cc(C(=O)Nc3nc(-c4ccccc4F)cs3)on2)cnn1C 19554271 AZRJFFQKROWCNK-UHFFFAOYSA-N 383.408 3.898 0 40 GHAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cccc(Cn4cncn4)c3)c2C1 19715639 ZQGOVHITXMPEHY-HNNXBMFYSA-N 379.464 3.718 0 40 GHAB Cc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 19932667 FWZKBOITECVFQW-HNNXBMFYSA-N 394.924 3.600 0 40 GHAB Cc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3)CC2)cc1 20139281 ZBDGXGBBGAAWIX-NRFANRHFSA-N 390.535 3.648 0 40 GHAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)c1 20177722 KGYRUKBKBBSSOV-UHFFFAOYSA-N 378.837 3.564 0 40 GHAB Cc1c(C(=O)NC[C@H](c2ccco2)N2CCOCC2)oc2ccc(Cl)cc12 20663641 BFSSMLYYUHURQL-MRXNPFEDSA-N 388.851 3.791 0 40 GHAB CSc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)cc1 20728720 ATYWVDAJXXWSPE-ZDUSSCGKSA-N 391.460 3.693 0 40 GHAB COc1ccc([C@@H]2SC=C3Sc4nnc(C(F)(F)F)n4N32)cc1OC 20730164 XOKXPOPCRWAYEV-NSHDSACASA-N 388.396 3.602 0 40 GHAB O=C(Cc1cccc2ccccc12)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 23106262 MEPYIIGNFBQVNA-QHCPKHFHSA-N 392.474 3.711 0 40 GHAB Cc1ccc(CNC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)cc1 23126430 TYLFVUZENZEEBG-UHFFFAOYSA-N 389.480 3.750 0 40 GHAB CCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1nc2ccccc2c(=O)[nH]1 23426044 LKROBDRVMICBCC-UHFFFAOYSA-N 392.503 3.681 0 40 GHAB COC(=O)c1ccoc1Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 23464055 JHSWVOPOKLFMJD-UHFFFAOYSA-N 380.425 3.861 0 40 GHAB Cc1csc(=O)n1CCC(=O)NCCC(c1ccccc1)c1ccccc1 24177145 LGQJNEWTHSYBAR-UHFFFAOYSA-N 380.513 3.947 0 40 GHAB Cc1noc(CSc2ccccc2C(=O)Nc2cccc(-c3nnco3)c2)n1 24740445 GYNHTLXILQUSDO-UHFFFAOYSA-N 393.428 3.973 0 40 GHAB O=C1COc2cc(C(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)ccc2N1 24840793 PUTQDVLYPXNPIV-FQEVSTJZSA-N 384.435 3.805 0 40 GHAB O=C(c1cccc2ccccc12)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 27756062 PAJCWVMXRSJCCS-IBGZPJMESA-N 397.471 3.808 0 40 GHAB O=C(c1cc(-c2ccccc2F)on1)N1CCC[C@H]1c1nnc2ccccn12 30039390 MYEISHHJBOPTHQ-INIZCTEOSA-N 377.379 3.501 0 40 GHAB Cc1ccc(-n2c(SCC(=O)Nc3nncs3)nc3ccccc32)cc1 32788903 QYTZEGZHEJWSII-UHFFFAOYSA-N 381.486 3.916 0 40 GHAB COc1ccccc1[C@H](C)N(C)C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 32796592 HZJGQYYGUSAQSS-ROUUACIJSA-N 380.488 3.885 0 40 GHAB O=C(CSc1ncccc1C(=O)O)Nc1nc(-c2ccc(F)cc2)cs1 35313072 BUQLXBJIDHZVHI-UHFFFAOYSA-N 389.433 3.773 0 40 GHAB Cn1nccc1-c1cc(C(=O)NC(C)(C)CN2CCCCC2)c2ccccc2n1 35316603 RXZQGLOFAGQDRC-UHFFFAOYSA-N 391.519 3.630 0 40 GHAB O=C(Nc1ccc2[nH]ncc2c1)c1ccc(-n2cc(Br)cn2)cc1 40086638 SRSCICFBNNIDPH-UHFFFAOYSA-N 382.221 3.763 0 40 GHAB CC(C)c1cccc(OCC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1 40087723 QMGFWUNLVFNTQD-UHFFFAOYSA-N 396.896 3.852 0 40 GHAB C[C@@H]1CCc2nc(NC(=O)CCNC(=O)c3ccc(F)cc3Cl)sc2C1 40130967 KXGDOPHDQQIKKF-SNVBAGLBSA-N 395.887 3.819 0 40 GHAB O=C(CS(=O)(=O)c1nc2ccccc2[nH]1)N(c1ccccc1)C1CCCCC1 40152111 SZCCFRUXOWRPKD-UHFFFAOYSA-N 397.500 3.703 0 40 GHAB CC[C@H](C)[C@H](NC(=O)c1cccc(Cl)c1)C(=O)Nc1nc2ccccc2[nH]1 44168574 NEZVYUKOESSSLC-SJCJKPOMSA-N 384.867 4.000 0 40 GHAB COc1ccc(C(=O)OCc2nc(-c3ccc(Br)cc3)no2)cc1 51315183 NZEPMPSSGGOTGG-UHFFFAOYSA-N 389.205 3.865 0 40 GHAB CCC(CC)(CNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)N(C)C 58163323 WCEAFLVMGPOGOY-IYBDPMFKSA-N 394.535 3.681 0 40 GHAB Brc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1 58427657 UIAKLAVPJGAQIV-UHFFFAOYSA-N 395.322 3.557 0 40 GHAB CCOC(=O)c1sc2ncnc(NC[C@H](c3cccs3)N(C)C)c2c1C 59889568 JZEWNXLPVCBZMQ-GFCCVEGCSA-N 390.534 3.953 0 40 GHAB COCC[C@H](C)NC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 60345435 SWNNMOWEPNEYOJ-JTQLQIEISA-N 375.778 3.699 0 40 GHAB CCCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2cc(C)[nH]c2c1=O 67238376 BGFWSRMDHNPMKG-UHFFFAOYSA-N 388.468 3.703 0 40 GHAB C[C@](O)(CN1CCN(CCc2cccs2)CC1)c1cccc(C(F)(F)F)c1 69930305 AZZJZOFZQUTBBZ-IBGZPJMESA-N 398.494 3.835 0 40 GHAB Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349758 FYRWTAPZWREKAD-QGZVFWFLSA-N 378.451 3.863 0 40 GHAB Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)c3cnn(C)c3C)CC2)n1 72362626 BXCRENFYUQJXSZ-UHFFFAOYSA-N 391.475 3.639 0 40 GHAB C[C@]1(c2ccccc2)CCCN(C(=O)NCc2cccc(Cn3cncn3)c2)C1 95959260 NNHXGHXKQPCPAG-QHCPKHFHSA-N 389.503 3.590 0 40 GHAB COC(=O)c1ccc(CN2CC(c3nc(-c4cccc(Cl)c4)no3)C2)cc1 96096372 VAMLGTQITPYPME-UHFFFAOYSA-N 383.835 3.776 0 40 GHAB CCN(C(=O)c1ccn(-c2cccc(F)c2)n1)c1ccc(Br)cn1 102254350 QOGKEIKRXDUAEN-UHFFFAOYSA-N 389.228 3.836 0 40 GHAB COc1cccc(N([C@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 220156229 HCFLEHIWZNCEFK-OAHLLOKOSA-N 390.505 3.612 0 40 GHAB CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccccc1F)S(C)(=O)=O 220594645 SLSZWIQXWULXLG-KRWDZBQOSA-N 392.496 3.934 0 40 GHAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1C 222997745 QKHHWLHEWKXKOA-HNNXBMFYSA-N 387.501 3.700 0 40 GHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1cccc(Cl)c1 223056725 CZPSJSTWJOJKBW-LJQANCHMSA-N 388.895 3.581 0 40 GHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C 223531765 JTEUXKNZQVZAQY-VQTJNVASSA-N 377.517 3.605 0 40 GHAB Cc1ccc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224509144 JFAOFFZXOOGRCG-FQEVSTJZSA-N 380.532 3.770 0 40 GHAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 225586329 NISCBAIKLOCRRJ-HNNXBMFYSA-N 390.886 3.964 0 40 GHAB CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCOCC2)ccc1OC 225772043 NDLXYELWFMINGL-UHFFFAOYSA-N 397.471 3.867 0 40 GHAB COC(=O)[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccccc2O1 225898738 KZLYRMVVSYPZED-SFHVURJKSA-N 398.802 3.576 0 40 GHAB COCCN(Cc1cc(C)n(C)c1C)C(=O)c1ccc2oc(Cl)nc2c1 225985424 JFJYNMYLMFZELI-UHFFFAOYSA-N 375.856 3.725 0 40 GHAB CC(=O)O[C@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC(=O)[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 253617234 OTUOJBDLVLSQSL-KFPMEGSDSA-N 388.504 3.668 0 40 GHAB C[C@H]1CCC[C@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)C2CCCC2)CC1 257210123 BTGWKVSPRZEWHW-HOTGVXAUSA-N 386.540 3.709 0 40 GHAB Cc1nc(-c2ncc[nH]2)cc(C2CCN(C(=O)c3cnc4ccccc4c3)CC2)n1 257297158 RGDFWPXZUFDANR-UHFFFAOYSA-N 398.470 3.743 0 40 GHAB CC[C@H](N)C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1 257307192 SXONADLZTVIWNK-QWKBJWMGSA-N 392.927 3.543 0 40 GHAB Cc1ccccc1C(=O)N1CC[C@@]2(C1)CN(Cc1cccnc1)c1cccnc12 306129801 INJDSXKRONJQDE-XMMPIXPASA-N 384.483 3.589 0 40 GHAB Cc1cccc(CN2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@H]3C2)c1 306145068 ZWPHLOMBQITFSB-GMAHTHKFSA-N 390.508 3.812 0 40 GHAB CCN1CCN(c2cccc(NC(=O)c3cc(-c4cccc(F)c4)no3)c2)CC1 545310781 CDNJBXQYCWKKEI-UHFFFAOYSA-N 394.450 3.875 0 40 GHAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@H](C)C2)C3)cc1F 585104548 QDFVENMSQUKVPV-FXAWDEMLSA-N 388.527 3.877 0 40 GHAB Cc1cccnc1Nc1cc([C@H]2CCCN(C(=O)/C=C/c3cnc[nH]3)C2)ccn1 585290519 BZOFKGDWGOJLGX-DKFQHHCZSA-N 388.475 3.671 0 40 GHAB O=C(/C=C/c1ccco1)N1CCC[C@H](Cc2cc(Nc3ccccn3)ncn2)C1 585292876 TVSNAIZSRYGJSH-KBOKABMXSA-N 389.459 3.703 0 40 GHAB O=C(OCc1ccccc1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 585396758 BEWLPXUYDMISPW-SFHVURJKSA-N 393.892 3.838 0 40 GHAB COc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccccc1OC(F)F)CCC2 1668363307 SFBRWYAYDMPPTK-OAHLLOKOSA-N 383.416 3.653 0 40 GHAB COc1ccc(CCNc2ncnc3c2[nH]c2cccc(OC)c23)cc1OC 2098824 UTNTWWMWGWURRH-UHFFFAOYSA-N 378.432 3.792 0 40 GHAB biogenic CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(F)c1 2415612 KRKFRNKOKUQFLQ-FQEVSTJZSA-N 394.446 3.819 0 40 GHAB Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccc(Br)cc1)N2 2447867 TZUSSKIQTKTQNI-HUUCEWRRSA-N 388.244 3.908 0 40 GHAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2449016 JZOVRICZXKZXSJ-JXFKEZNVSA-N 391.423 3.526 0 40 GHAB Cc1cc(C)n(-c2ccc(C(=O)NNc3c(F)c(F)cc(F)c3F)cc2)n1 2618125 DOLWSCJUDFSVDW-UHFFFAOYSA-N 378.329 3.802 0 40 GHAB O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1)N1CCCC1 2645703 GOMFJQXPSDVZAG-UHFFFAOYSA-N 391.924 3.880 0 40 GHAB O=C(CCc1nc2ccccc2s1)OCC(=O)N1CCCc2ccccc21 3243036 LURLGTBNBUDPKK-UHFFFAOYSA-N 380.469 3.752 0 40 GHAB Cc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl 3325632 AYFYLYDZVVKGKU-GOSISDBHSA-N 392.908 3.830 0 40 GHAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 3436506 QHSSRWVEPRKHLN-QHHAFSJGSA-N 394.210 3.917 0 40 GHAB O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2ccccc21)Nc1ccccc1 4316041 SLAPEAIRJSDYCV-UHFFFAOYSA-N 382.419 3.871 0 40 GHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 4385090 GHNYQZJVAPCFSC-CQSZACIVSA-N 385.851 3.598 0 40 GHAB CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)c2cc(C)sc2C)c1 4883561 JWSUNPSBYZVALO-UHFFFAOYSA-N 387.457 3.712 0 40 GHAB Cc1cccc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)c1 5499026 HHHOJCXSLBKFSN-UHFFFAOYSA-N 389.484 3.914 0 40 GHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(C(N)=O)cc1 6290132 FNZWJMFACQZQTL-UHFFFAOYSA-N 396.365 3.611 0 40 GHAB NC(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1 6290389 RTGAVPHUNOLGEK-UHFFFAOYSA-N 378.453 3.954 0 40 GHAB CCOc1cc([C@H]2CC(=O)Nc3ncnn32)cc(Cl)c1OCc1ccccc1 6656466 VXKLWXIRLZTVKC-MRXNPFEDSA-N 398.850 3.841 0 40 GHAB COc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)Nc3nnnn32)cc1 6662643 BYJSSNPRGKAJJW-CVEARBPZSA-N 386.253 3.591 0 40 GHAB COc1ccc(CCNC(=O)Cc2csc(-c3ccccc3)n2)cc1OC 6760482 SUWBWJRIHQJPFU-UHFFFAOYSA-N 382.485 3.729 0 40 GHAB biogenic CCOC(=O)C1=C(C)N(C)[C@]2(SC(C(C)=O)=NN2c2ccc(C)cc2)S1 6810025 QZJWNTSIZDHROO-GOSISDBHSA-N 391.518 3.535 0 40 GHAB Nc1cc2ccccc2cc1C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 6897065 HXFRQXVJLGLRAE-UHFFFAOYSA-N 378.472 3.664 0 40 GHAB Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1-c1ccccc1C(=O)O 6962363 WDFYDTMFOFISSY-FSJBWODESA-N 379.391 3.695 0 40 GHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@@H](C)C(=O)Nc1ccc(C)cc1 7315595 UAHYGZXUFYALTJ-HRAATJIYSA-N 392.455 3.829 0 40 GHAB COc1cc(OC)c(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(OC)c1 7342909 HGCNJBAOWJYDGN-YVLHZVERSA-N 386.429 3.807 0 40 GHAB O=C(O)/C(Sc1nnc(-c2ccc(Cl)cc2)[nH]1)=C1\C(=O)Nc2ccccc21 7603335 BWDVMXWPYFULIF-BUHFOSPRSA-N 398.831 3.665 0 40 GHAB CSc1nc(N2CCCCC2)c2cc(C(=O)NCc3ccco3)sc2n1 7604195 LARDXXKKZKVQPJ-UHFFFAOYSA-N 388.518 3.927 0 40 GHAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2ccc(F)cc2)ccc1Cl 7971114 SRXZORRAAVINAL-UHFFFAOYSA-N 399.871 3.867 0 40 GHAB Cc1cc(C)n(CCCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1 7987195 BDKCXBYBTWZZAS-UHFFFAOYSA-N 385.471 3.930 0 40 GHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 7987719 LJNJDXHDEYBBHT-UHFFFAOYSA-N 387.457 3.692 0 40 GHAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1)c1cccs1 8076102 RXHYTOLQKDGJFG-SFHVURJKSA-N 381.501 3.629 0 40 GHAB COc1ccc(OC)c(NC(=O)CN(C)Cc2ccc(C(F)(F)F)cc2)c1 8092428 HRZRAYBUTRYVOA-UHFFFAOYSA-N 382.382 3.793 0 40 GHAB O=c1/c(=C/c2cccn2-c2ccc(Cl)cc2)sc2nc3ccccc3n12 8695130 PDHWYJPMXHBOPN-PDGQHHTCSA-N 377.856 3.901 0 40 GHAB COc1ccc(-c2nnc(SCCCOc3ccccc3C=O)n2C)cc1 8731730 FMEYNIZHKKCMQL-UHFFFAOYSA-N 383.473 3.864 0 40 GHAB C[C@@H](NC(=O)CN(C)CC(=O)Nc1cccc2ccccc12)c1ccccc1 8749862 CUZJXZYLVUWZSF-QGZVFWFLSA-N 375.472 3.588 0 40 GHAB CC[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(Cl)cc1 8751100 XYEJDZKXEVLJMI-KRWDZBQOSA-N 392.908 3.543 0 40 GHAB Cc1cc(C)cc(NC(=O)COc2cccc3ccc(N4CCOCC4)nc23)c1 8769563 LCFHHDOHUOGNEU-UHFFFAOYSA-N 391.471 3.706 0 40 GHAB COC(=O)c1sccc1Oc1ccccc1NS(=O)(=O)CC(F)(F)F 8782230 JWWVFBNAGQZETR-UHFFFAOYSA-N 395.380 3.631 0 40 GHAB CC(=O)c1ccc(OCCCC(=O)OCc2nnc(-c3ccccc3)o2)cc1 9054817 BXFOJOBSQHJEDG-UHFFFAOYSA-N 380.400 3.842 0 40 GHAB CCCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)o1 9062270 JJZOHIQAKUAZNV-UHFFFAOYSA-N 380.404 3.736 0 40 GHAB Cc1ccc(C)c(N([C@H](C)C(=O)NC2CCCCCCC2)S(C)(=O)=O)c1 10434075 KNIYJUBFFURVOP-QGZVFWFLSA-N 380.554 3.687 0 40 GHAB CC(C)(C)c1ccc(S(=O)(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 10668691 POQJPRDTHYNMMV-UHFFFAOYSA-N 386.517 3.811 0 40 GHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc4nc(C)cc(C)c4s3)CC2=O)cc1 11666341 OXUUAJVOPYPOKK-AWEZNQCLSA-N 380.473 3.608 0 40 GHAB Cc1ccc(-c2csc(=O)n2CC(=O)Nc2nc3c(s2)CCCC3)cc1 12255791 GZTKSBNTGRHXIN-UHFFFAOYSA-N 385.514 3.859 0 40 GHAB CCCN1C[C@@H](NC(=O)Cc2c[nH]c3ccccc23)[C@H](c2ccc(OC)cc2)C1 12364776 VVVGUGXENQSCBI-JTHBVZDNSA-N 391.515 3.713 0 40 GHAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1 12406701 YMJFZUHSUCDDAV-LJQANCHMSA-N 389.455 3.861 0 40 GHAB CCCN(C(=O)/C=C/c1sc2ccccc2c1Cl)[C@@H]1CCS(=O)(=O)C1 12772477 YYZFYOMQHZQWAC-SBDDDAINSA-N 397.949 3.994 0 40 GHAB O=C(/C=C/c1cc2ccccc2o1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 12849722 BXSKUYZWELHGOZ-VYENPZKTSA-N 395.480 3.662 0 40 GHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1I 12910706 WWFCCVVQMHFPNC-UHFFFAOYSA-N 376.197 3.954 0 40 GHAB CCC[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)c1ccccc1 12993696 KAACKNBHRPOLPP-KXBFYZLASA-N 386.517 3.668 0 40 GHAB O=C(CC(c1ccccc1)c1ccccc1)Oc1ccccc1P(=O)(O)O 13628039 ZHCZMWASTHUREB-UHFFFAOYSA-N 382.352 3.617 0 40 GHAB O=S(=O)(NCc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)s1 14197829 FNKWUQNCIDBDOL-UHFFFAOYSA-N 384.954 3.866 0 40 GHAB CC(C)c1ccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 15543836 JIHVRXIKQDNISN-UHFFFAOYSA-N 385.552 3.863 0 40 GHAB CC(C)OC(=O)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1 15554143 RCLNVSZCCLLWQC-NRFANRHFSA-N 396.468 3.819 0 40 GHAB COc1cccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)n[nH]2)c1 15679312 UVKIXYWPPLUOTN-UHFFFAOYSA-N 390.487 3.665 0 40 GHAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)cc1OC 19078654 BQBXKGXOHZKMTM-WMLDXEAASA-N 399.443 3.564 0 40 GHAB COCCCN(Cc1ccc2c(c1)C[C@H](C)O2)C(=O)c1cn2cc(C)ccc2n1 19234336 YEBDOXFRJOWVDM-KRWDZBQOSA-N 393.487 3.645 0 40 GHAB CC12CN3CC(C)(CN(C1)C3c1cn(Cc3ccccc3)c3ccccc13)C2N 19331440 HWORKCLLDWFTQU-UHFFFAOYSA-N 386.543 3.673 0 40 GHAB biogenic COc1ccc(CN2CCC[C@H](c3nn(C)c4nccnc34)C2)cc1OC(C)C 19450491 SFEDVNZBNKFRSO-KRWDZBQOSA-N 395.507 3.539 0 40 GHAB COc1ccc(CN2CCC[C@H]2c2nc(O)cc(-c3ccccn3)n2)c(OC)c1 19552316 FUBBGAJLYWYARD-IBGZPJMESA-N 392.459 3.599 0 40 GHAB COc1cccc(CN2CCC(c3nc(O)cc(-c4cccnc4)n3)CC2)c1 19564955 VAXMMGKCGZJIIM-UHFFFAOYSA-N 376.460 3.632 0 40 GHAB COc1cccc(CN2CCN(C(=O)c3cccc4ncccc34)[C@@H](C)C2)c1 19575628 WXYSYIWPTVFWEK-KRWDZBQOSA-N 375.472 3.590 0 40 GHAB C[C@H](CN(C)C(=O)Cn1cc(NC(=O)c2ccc(F)cc2)cn1)c1ccccc1 19749472 GHHJMLKHHGEGTJ-MRXNPFEDSA-N 394.450 3.537 0 40 GHAB CC(=O)c1ccc(-n2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1 19818885 HSIMJDMVVGQNIP-UHFFFAOYSA-N 395.422 3.606 0 40 GHAB COc1ccc(CCNc2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)cc1OC 20677770 WFQDBOJILCSATM-UHFFFAOYSA-N 397.456 3.916 0 40 GHAB COc1cc(CNc2nnnn2C)cc(Cl)c1OCc1ccc(Cl)cc1 22112148 ZGVZMLUHGXZFDF-UHFFFAOYSA-N 394.262 3.717 0 40 GHAB CC(C)(C)NC(=O)CC1(C(=O)OCC(=O)c2ccc(Cl)s2)CCCC1 22747143 FJUMZEOWSDGLQJ-UHFFFAOYSA-N 385.913 3.993 0 40 GHAB CSc1ccc(CN(C)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 23508184 JTFCBKIZRKXPMT-JOCHJYFZSA-N 395.528 3.581 0 40 GHAB CCCN1C(=O)/C(=C\N[C@H](C)c2ccc(-c3ccccc3)cc2)C(=O)NC1=S 24060459 CBBCKIQAWWKZGV-ATPAHOSSSA-N 393.512 3.541 0 40 GHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@H]1CCCN1c1ncccn1 24745732 JRCCMABJXGIIRS-HXUWFJFHSA-N 380.536 3.719 0 40 GHAB CC(C)[C@@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(F)cc1 25105294 LZUDCAPQESSDIE-JOCHJYFZSA-N 399.510 3.854 0 40 GHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(C(C)=O)s1 25267325 KSHCUOMSIAFVIZ-JTQLQIEISA-N 381.837 3.797 0 40 GHAB O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1 25707610 MXVWMEOTVAQVBM-MRXNPFEDSA-N 394.349 3.955 0 40 GHAB O=C(NCCc1ccccc1)c1ccc(Cl)cc1I 31662950 JCSBXELUCRDOMH-UHFFFAOYSA-N 385.632 3.917 0 40 GHAB CC(=O)c1cc2c(cc1NC(=O)c1cnn(Cc3ccccc3Cl)c1)OCO2 32492640 TZPJOHZIZMXMJR-UHFFFAOYSA-N 397.818 3.768 0 40 GHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccccc1Cl 32754202 QBXUWVWJSDPPOO-UELRPHRMSA-N 377.893 3.976 0 40 GHAB COc1ccc(C)cc1[C@H](C)NC(=O)NCc1ccc(N2CCCC2=O)cc1 32863156 BXVHQLCSCNGCGZ-INIZCTEOSA-N 381.476 3.691 0 40 GHAB CCOc1ccccc1NC(=O)CSCc1cc(=O)c2cc(OC)ccc2[nH]1 33064242 SLCQHFYETAELHG-UHFFFAOYSA-N 398.484 3.807 0 40 GHAB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 35648751 KRLJBJDTZMANLB-UEUZTHOGSA-N 386.292 3.514 0 40 GHAB CC1(C)[C@@H](OC[C@H](O)CN2CCN(c3ccccc3F)CC2)[C@@]2(C)CC[C@@H]1C2 36056726 HTSQZYKYGVUADL-PGCKSFNISA-N 390.543 3.540 0 40 GHAB O=C(Nc1ccc2c(c1)OCCO2)c1cnn2c(C(F)F)cc(C3CC3)nc12 36610929 XOHRYVBNAYJBEY-UHFFFAOYSA-N 386.358 3.568 0 40 GHAB O=C(/C=C/c1cc(Br)ccc1F)NCCCN1CCCCCC1=O 36702849 BYMRMLGWHGFVCT-RMKNXTFCSA-N 397.288 3.510 0 40 GHAB Cc1ccc(Oc2ccc(N(C)C(=O)Nc3ccc4c(c3)OCO4)cc2)nn1 38670825 YRVLAOSYYXBHPF-UHFFFAOYSA-N 378.388 3.974 0 40 GHAB CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 38751767 CHQYDGIXXPJQTO-BEFAXECRSA-N 392.496 3.556 0 40 GHAB COCCNc1oc(-c2cccc(C)c2)nc1S(=O)(=O)c1ccc(F)cc1 39844285 RPCLXTQTNCRJSG-UHFFFAOYSA-N 390.436 3.680 0 40 GHAB C[C@@H]1CN(Cc2csc(NC(=O)/C=C/c3ccccc3F)n2)C[C@@H](C)O1 40040106 DEISOAPRHQEXQD-GODNBWANSA-N 375.469 3.543 0 40 GHAB CN(C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)C1 40134041 DRSWOWYHJLAHIN-ZDUSSCGKSA-N 392.912 3.796 0 40 GHAB O=C(Nc1c[nH]ccc1=O)c1ccc(SCc2cn3ccccc3n2)cc1 47929254 JWJGHASWLTZJGU-UHFFFAOYSA-N 376.441 3.567 0 40 GHAB O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 57152997 RMALHTRSFYJERQ-LJQANCHMSA-N 376.504 3.524 0 40 GHAB COc1ccc(NC(C)=O)cc1NC(=O)CN[C@@H](C)c1ccccc1Cl 57405604 MXXWZLQEBYNTPZ-LBPRGKRZSA-N 375.856 3.596 0 40 GHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1c(F)cccc1Cl 57442775 SRJQEWMPEKONMM-CYBMUJFWSA-N 389.858 3.675 0 40 GHAB Cc1csc(CCNC(=O)[C@@H](C(C)C)n2cnc3cc(F)c(F)cc32)n1 58299954 NTCZBXXZCGSKST-QGZVFWFLSA-N 378.448 3.635 0 40 GHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CS(=O)(=O)CCCc1ccccc1 59251961 NLGYPDXYXUYQOI-YZGWKJHDSA-N 379.566 3.611 0 40 GHAB CCCCN1CCCC[C@@H]1CNc1nn2c(=O)cc(-c3ccccc3)nc2s1 62580943 HMXYVTRNINUAMT-QGZVFWFLSA-N 397.548 3.885 0 40 GHAB COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc2ccccc2n1 62906672 SPTDSMJSCRJENO-UHFFFAOYSA-N 375.428 3.732 0 40 GHAB O=C(OCc1ccccc1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)O2 71289272 XJSWPVJRANGRJT-UHFFFAOYSA-N 384.407 3.954 0 40 GHAB Cc1ccc(-c2c(C)nn3c(NCCCN4CCCC4=O)cc(C)nc23)cc1 72341672 JIEWSKAOEAFHPX-UHFFFAOYSA-N 377.492 3.746 0 40 GHAB Oc1cc(C2CCN(Cc3cc(F)ccc3F)CC2)nc(-c2cccnc2)n1 72392778 SAZIGIHKNDJQBA-UHFFFAOYSA-N 382.414 3.902 0 40 GHAB Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc3ccc(F)cc3n2)CC1 78903589 JBEVNNQRCVNZFW-UHFFFAOYSA-N 392.478 3.751 0 40 GHAB C[C@H](Oc1ccccc1Cl)C(=O)NC[C@@H](CO)Cc1ccc(Cl)cc1 78995304 BPRUSJXLFFCTKB-ZFWWWQNUSA-N 382.287 3.728 0 40 GHAB Cc1cc(C)nc(NCc2cccc(C(=O)N(C)CCOc3ccccc3)c2)n1 95467403 NVNDYJSGKZNCLF-UHFFFAOYSA-N 390.487 3.857 0 40 GHAB CC(C)Oc1ccc(C(=O)N2CCC[C@@H]2CS(=O)(=O)c2ccccc2)cc1 96098304 WMOGSVYJCGKYLD-GOSISDBHSA-N 387.501 3.552 0 40 GHAB O=C(CN1[C@H]2CC[C@H]1CC(O)(c1ccco1)C2)Nc1ccccc1C(F)(F)F 100127940 GKKWZHNUHGVINW-KBPBESRZSA-N 394.393 3.752 0 40 GHAB COC(=O)[C@]1(Cc2ccc(F)cc2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186340 SYYQGPPOANIFCN-VIZSFHNOSA-N 381.447 3.534 0 40 GHAB CCc1cc(O)n2nc([C@@H]3CCN(CC(C)(C)CN4CCC(C)CC4)C3)cc2n1 100727502 IMRWSKUHFQJPNZ-GOSISDBHSA-N 399.583 3.545 0 40 GHAB COC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 103940717 HQHCWBYDIBJKIW-OAHLLOKOSA-N 379.416 3.912 0 40 GHAB CCOC(=O)Nc1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1 222998128 WVSDCALNRIZUBS-UHFFFAOYSA-N 384.457 3.887 0 40 GHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 223063131 WWSUEIAINXGTHQ-NHCUHLMSSA-N 392.528 3.881 0 40 GHAB CCOc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 223742578 NDHKOEYOUJOMEK-UHFFFAOYSA-N 380.491 3.566 0 40 GHAB COC(=O)c1ccccc1NC(=O)CCc1ncc(-c2cccc(OC)c2)o1 224847716 ODYCSCLSIVJPPG-UHFFFAOYSA-N 380.400 3.708 0 40 GHAB Cc1nc(NC(=O)c2nnn(-c3ccccc3F)c2-c2ccncc2)sc1C 225584665 NWDKIJURHUWUFZ-UHFFFAOYSA-N 394.435 3.794 0 40 GHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 225718349 WDPXUBFSJXTNTQ-OAQYLSRUSA-N 382.504 3.706 0 40 GHAB C[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)N1CCCCCC1 227153254 SJSFYWGKFUVTNI-CQSZACIVSA-N 392.297 3.805 0 40 GHAB CNC[C@H]1CC[C@H](c2cc(CN(C)Cc3ccc(C)cc3OC)n(C)n2)CC1 257337267 YSBQZHVVVSRYRX-WGSAOQKQSA-N 384.568 3.862 0 40 GHAB COc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCc2ccc(C)cc2)n1 260720904 UZOLEAROLJGMAK-OAHLLOKOSA-N 385.537 3.659 0 40 GHAB Cc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260899899 QQGIUYGPBQEDTE-GOSISDBHSA-N 388.533 3.659 0 40 GHAB CCOc1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1NC(=O)CC 408697701 LEZCLVREFQAPJV-UHFFFAOYSA-N 376.478 3.797 0 40 GHAB COc1cc2c(cc1/C=C1/SC(=O)N(Cc3cccc(C)c3)C1=O)OCO2 409075153 VJOIAPCGVHWCSK-QGMBQPNBSA-N 383.425 3.969 0 40 GHAB Cc1cccc(-c2nnc3n2C[C@H](C(=O)NC[C@@H]2[C@@H]4Cc5ccccc5[C@@H]24)CC3)c1 516393301 WLMOBBWMBLIXIS-ZVXPMLRVSA-N 398.510 3.518 0 40 GHAB O=C(Nc1cc(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)ccn1)C1CC1 552149254 ZSDIOPPXSVEIKV-UHFFFAOYSA-N 399.441 3.803 0 40 GHAB Cc1nc(-n2cccc2)sc1C(=O)NCc1nccnc1-c1cccs1 575619372 FARWOZMPTBMKLW-UHFFFAOYSA-N 381.486 3.691 0 40 GHAB O=C(Nc1ccc2ccnc(O)c2c1)N1CCC[C@H](Oc2ncccc2F)C1 577487080 AZJDINSFEJPDCS-HNNXBMFYSA-N 382.395 3.550 0 40 GHAB Cc1sc(C2(NC(=O)c3cccc(=O)n3C)CCC2)nc1-c1ccccc1F 579398569 RKQIVEFMPHQJGF-UHFFFAOYSA-N 397.475 3.766 0 40 GHAB CCN(CC)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1 585235070 NZWDTBJBRYCGLD-SFHVURJKSA-N 381.524 3.795 0 40 GHAB Cc1cc(F)c2nc(O)cc(C(=O)N3CCCN4c5ccccc5C[C@@H]4C3)c2c1 685895502 UTEBKIHGTSBIQE-MRXNPFEDSA-N 391.446 3.665 0 40 GHAB O=C1COC2(CCN(Cc3ccc(Cl)cc3)CC2)CN1c1cccc(F)c1 2037840885 UZCJHOJPWBQJBL-UHFFFAOYSA-N 388.870 3.877 0 40 GHAB